smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCC[C@H](COC)[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000380771384 677677097 /nfs/dbraw/zinc/67/70/97/677677097.db2.gz QIJUNEBVJYPFSH-SECBINFHSA-N -1 1 387.683 1.827 20 0 GDADMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]CCc1cnccn1 ZINC000390350503 677677753 /nfs/dbraw/zinc/67/77/53/677677753.db2.gz IXDSUJXFUOLCJF-UHFFFAOYSA-N -1 1 387.215 1.668 20 0 GDADMM O=C(NC[C@H]1CCCO1)c1cccc(CNc2cccc(-c3nnn[n-]3)n2)c1 ZINC000738047783 945176942 /nfs/dbraw/zinc/17/69/42/945176942.db2.gz AVVUBMKEGBNGSC-OAHLLOKOSA-N -1 1 379.424 1.783 20 0 GDADMM O=C(NC[C@H]1CCCO1)c1cccc(CNc2cccc(-c3nn[n-]n3)n2)c1 ZINC000738047783 945176946 /nfs/dbraw/zinc/17/69/46/945176946.db2.gz AVVUBMKEGBNGSC-OAHLLOKOSA-N -1 1 379.424 1.783 20 0 GDADMM C[C@H](NC(=O)N[C@]1(C(=O)[O-])CCOC1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000929032720 939794890 /nfs/dbraw/zinc/79/48/90/939794890.db2.gz YOYYLIYZGDPOLO-ORAYPTAESA-N -1 1 394.447 1.181 20 0 GDADMM O=C(N[C@H]1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1)c1cc(F)c[nH]1 ZINC001571258136 945348649 /nfs/dbraw/zinc/34/86/49/945348649.db2.gz MYNFRORCOKZAFX-JQWIXIFHSA-N -1 1 385.407 1.525 20 0 GDADMM O=C(N[C@H]1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1)c1cc(F)c[nH]1 ZINC001571258136 945348667 /nfs/dbraw/zinc/34/86/67/945348667.db2.gz MYNFRORCOKZAFX-JQWIXIFHSA-N -1 1 385.407 1.525 20 0 GDADMM Cc1nsc(N(C)[C@@H]2CCN(C(=O)C(C)(C)C(F)F)C2)c1-c1nn[n-]n1 ZINC001571259601 945394763 /nfs/dbraw/zinc/39/47/63/945394763.db2.gz IFJVWKGOOHGBCL-SECBINFHSA-N -1 1 385.444 1.960 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)c3ccns3)[C@@H](C)C2)n1 ZINC001571261146 945422406 /nfs/dbraw/zinc/42/24/06/945422406.db2.gz BBBIWOVETPADCK-WDEREUQCSA-N -1 1 385.457 1.527 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)c3ccns3)[C@@H](C)C2)n1 ZINC001571261146 945422413 /nfs/dbraw/zinc/42/24/13/945422413.db2.gz BBBIWOVETPADCK-WDEREUQCSA-N -1 1 385.457 1.527 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](NC(=O)c3cscn3)C(C)(C)C2)n1 ZINC001571261272 945424635 /nfs/dbraw/zinc/42/46/35/945424635.db2.gz CMUVIOHZWHFIGD-LBPRGKRZSA-N -1 1 385.457 1.066 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](NC(=O)c3cscn3)C(C)(C)C2)n1 ZINC001571261272 945424638 /nfs/dbraw/zinc/42/46/38/945424638.db2.gz CMUVIOHZWHFIGD-LBPRGKRZSA-N -1 1 385.457 1.066 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)c3cncs3)C[C@H]2C)n1 ZINC001571261183 945425482 /nfs/dbraw/zinc/42/54/82/945425482.db2.gz BJPNACVOMKATOJ-MNOVXSKESA-N -1 1 385.457 1.209 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)c3cncs3)C[C@H]2C)n1 ZINC001571261183 945425488 /nfs/dbraw/zinc/42/54/88/945425488.db2.gz BJPNACVOMKATOJ-MNOVXSKESA-N -1 1 385.457 1.209 20 0 GDADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1CCN(C(=O)c2ccns2)CC1 ZINC001571261816 945431050 /nfs/dbraw/zinc/43/10/50/945431050.db2.gz JHAAGSLPTVBMPZ-JTQLQIEISA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1CCN(C(=O)c2ccns2)CC1 ZINC001571261816 945431053 /nfs/dbraw/zinc/43/10/53/945431053.db2.gz JHAAGSLPTVBMPZ-JTQLQIEISA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H](NC(=O)c1cncs1)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571262014 945432685 /nfs/dbraw/zinc/43/26/85/945432685.db2.gz MDXNPYMAJZEHIS-GHMZBOCLSA-N -1 1 385.457 1.148 20 0 GDADMM C[C@@H](NC(=O)c1cncs1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571262014 945432691 /nfs/dbraw/zinc/43/26/91/945432691.db2.gz MDXNPYMAJZEHIS-GHMZBOCLSA-N -1 1 385.457 1.148 20 0 GDADMM Cc1nsc(NC[C@H]2CCN(C(=O)c3ccnnc3C)C2)c1-c1nn[n-]n1 ZINC001571262941 945445162 /nfs/dbraw/zinc/44/51/62/945445162.db2.gz CUCGCXSHGXNXRF-LLVKDONJSA-N -1 1 385.457 1.304 20 0 GDADMM Cc1nc(C)c(C(=O)N2C[C@@H](C)[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)s1 ZINC001571262963 945447848 /nfs/dbraw/zinc/44/78/48/945447848.db2.gz DHAMHNPIWWWCNT-PRHODGIISA-N -1 1 385.457 1.303 20 0 GDADMM Cc1nc(C)c(C(=O)N2C[C@@H](C)[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)s1 ZINC001571262963 945447850 /nfs/dbraw/zinc/44/78/50/945447850.db2.gz DHAMHNPIWWWCNT-PRHODGIISA-N -1 1 385.457 1.303 20 0 GDADMM Cc1ncsc1C(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001571263066 945450077 /nfs/dbraw/zinc/45/00/77/945450077.db2.gz GURIIPQRQDDYFH-NSHDSACASA-N -1 1 385.457 1.163 20 0 GDADMM Cc1ncsc1C(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001571263066 945450081 /nfs/dbraw/zinc/45/00/81/945450081.db2.gz GURIIPQRQDDYFH-NSHDSACASA-N -1 1 385.457 1.163 20 0 GDADMM O=C(Cc1cncs1)N[C@@H]1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571263208 945453405 /nfs/dbraw/zinc/45/34/05/945453405.db2.gz JYVFJZRNGKHOQQ-WDEREUQCSA-N -1 1 385.457 1.053 20 0 GDADMM O=C(Cc1cncs1)N[C@@H]1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571263208 945453411 /nfs/dbraw/zinc/45/34/11/945453411.db2.gz JYVFJZRNGKHOQQ-WDEREUQCSA-N -1 1 385.457 1.053 20 0 GDADMM CC[C@@H](OC)C(=O)N1CCC[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571264924 945495262 /nfs/dbraw/zinc/49/52/62/945495262.db2.gz APIAIDZFBPXXEX-RKDXNWHRSA-N -1 1 385.881 1.805 20 0 GDADMM CC[C@@H](OC)C(=O)N1CCC[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571264924 945495267 /nfs/dbraw/zinc/49/52/67/945495267.db2.gz APIAIDZFBPXXEX-RKDXNWHRSA-N -1 1 385.881 1.805 20 0 GDADMM COCC(=O)N1CC[C@@H](CNc2nc(-c3nn[n-]n3)c(Cl)s2)[C@@H](C)C1 ZINC001571266225 945533749 /nfs/dbraw/zinc/53/37/49/945533749.db2.gz YEFJPUABRJYOKI-IUCAKERBSA-N -1 1 385.881 1.520 20 0 GDADMM O=C(NC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1c(F)cccc1F ZINC001571267239 945565736 /nfs/dbraw/zinc/56/57/36/945565736.db2.gz NLWLGBWRUHOBTG-JTQLQIEISA-N -1 1 386.366 1.191 20 0 GDADMM O=C(NC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1c(F)cccc1F ZINC001571267239 945565746 /nfs/dbraw/zinc/56/57/46/945565746.db2.gz NLWLGBWRUHOBTG-JTQLQIEISA-N -1 1 386.366 1.191 20 0 GDADMM CC(C)(F)C(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(c2nccnc2-c2nnn[n-]2)C1 ZINC001571268390 945593653 /nfs/dbraw/zinc/59/36/53/945593653.db2.gz FQUMYKXMMLZYBI-CYDGBPFRSA-N -1 1 386.435 1.078 20 0 GDADMM CC(C)(F)C(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(c2nccnc2-c2nn[n-]n2)C1 ZINC001571268390 945593660 /nfs/dbraw/zinc/59/36/60/945593660.db2.gz FQUMYKXMMLZYBI-CYDGBPFRSA-N -1 1 386.435 1.078 20 0 GDADMM Cc1nsc(N2CCC[C@@H]([C@@H](C)NC(=O)c3cc[nH]c3)C2)c1-c1nn[n-]n1 ZINC001571271581 945646334 /nfs/dbraw/zinc/64/63/34/945646334.db2.gz DVFGODXYMKNZFY-ZWNOBZJWSA-N -1 1 386.485 1.995 20 0 GDADMM CCc1nc(NC[C@H]2CCCN2C(=O)[C@@]2(C)CCOC2)cc(-c2nnn[n-]2)n1 ZINC001571272427 945661443 /nfs/dbraw/zinc/66/14/43/945661443.db2.gz DMWXNEFGFAPRFD-XIKOKIGWSA-N -1 1 386.460 1.049 20 0 GDADMM CCc1nc(NC[C@H]2CCCN2C(=O)[C@@]2(C)CCOC2)cc(-c2nn[n-]n2)n1 ZINC001571272427 945661447 /nfs/dbraw/zinc/66/14/47/945661447.db2.gz DMWXNEFGFAPRFD-XIKOKIGWSA-N -1 1 386.460 1.049 20 0 GDADMM CCNC(=O)C1CN(C(=O)c2cc(C3CC3)nc(SC)c2-c2nn[n-]n2)C1 ZINC000821277113 945664638 /nfs/dbraw/zinc/66/46/38/945664638.db2.gz PZNSLWBYXQECIT-UHFFFAOYSA-N -1 1 387.469 1.069 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)[C@H]2CN(C(=O)C3CCCC3)CCO2)n1 ZINC001571273196 945681802 /nfs/dbraw/zinc/68/18/02/945681802.db2.gz SJLRHGSIDLGPRJ-IUODEOHRSA-N -1 1 386.460 1.183 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)[C@H]2CN(C(=O)C3CCCC3)CCO2)n1 ZINC001571273196 945681806 /nfs/dbraw/zinc/68/18/06/945681806.db2.gz SJLRHGSIDLGPRJ-IUODEOHRSA-N -1 1 386.460 1.183 20 0 GDADMM CCSc1ccccc1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000821461240 945699697 /nfs/dbraw/zinc/69/96/97/945699697.db2.gz MYATZHLCIVWVQE-UHFFFAOYSA-N -1 1 386.485 1.989 20 0 GDADMM CCSc1ccccc1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000821461240 945699703 /nfs/dbraw/zinc/69/97/03/945699703.db2.gz MYATZHLCIVWVQE-UHFFFAOYSA-N -1 1 386.485 1.989 20 0 GDADMM O=C(c1occc1Cl)N1CC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001571274780 945700265 /nfs/dbraw/zinc/70/02/65/945700265.db2.gz KYEFBDSTCIXTNE-JOYOIKCWSA-N -1 1 386.803 1.254 20 0 GDADMM O=C(c1occc1Cl)N1CC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571274780 945700269 /nfs/dbraw/zinc/70/02/69/945700269.db2.gz KYEFBDSTCIXTNE-JOYOIKCWSA-N -1 1 386.803 1.254 20 0 GDADMM CCC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)[C@H]2CCCOC2)CC1 ZINC001571275665 945711593 /nfs/dbraw/zinc/71/15/93/945711593.db2.gz AFZZQDXYIHVPQV-ZDUSSCGKSA-N -1 1 386.460 1.266 20 0 GDADMM CCC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)[C@H]2CCCOC2)CC1 ZINC001571275665 945711602 /nfs/dbraw/zinc/71/16/02/945711602.db2.gz AFZZQDXYIHVPQV-ZDUSSCGKSA-N -1 1 386.460 1.266 20 0 GDADMM CC1(C)CCC[C@H]1C(=O)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571275933 945718467 /nfs/dbraw/zinc/71/84/67/945718467.db2.gz FWGYXRVZCKMRLZ-OLZOCXBDSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CCC[C@H]1C(=O)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571275933 945718480 /nfs/dbraw/zinc/71/84/80/945718480.db2.gz FWGYXRVZCKMRLZ-OLZOCXBDSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H]1C[C@H](C(=O)N[C@H]2CC[C@H](CNc3cncc(-c4nnn[n-]4)n3)CC2)CO1 ZINC001571276597 945731809 /nfs/dbraw/zinc/73/18/09/945731809.db2.gz JKSNXGKOBOVCEL-XUXIUFHCSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@H]1C[C@H](C(=O)N[C@H]2CC[C@H](CNc3cncc(-c4nn[n-]n4)n3)CC2)CO1 ZINC001571276597 945731813 /nfs/dbraw/zinc/73/18/13/945731813.db2.gz JKSNXGKOBOVCEL-XUXIUFHCSA-N -1 1 386.460 1.169 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccc(-n2cccn2)cc1 ZINC000821600610 945737325 /nfs/dbraw/zinc/73/73/25/945737325.db2.gz VGJCEGIEGVSHLR-UHFFFAOYSA-N -1 1 392.427 1.063 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccc(-n2cccn2)cc1 ZINC000821600610 945737333 /nfs/dbraw/zinc/73/73/33/945737333.db2.gz VGJCEGIEGVSHLR-UHFFFAOYSA-N -1 1 392.427 1.063 20 0 GDADMM CCCC(=O)N1CCC2(CO[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001571278668 945757216 /nfs/dbraw/zinc/75/72/16/945757216.db2.gz QMQIWYMZTRCPIX-CYBMUJFWSA-N -1 1 386.460 1.266 20 0 GDADMM CCCC(=O)N1CCC2(CO[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571278668 945757226 /nfs/dbraw/zinc/75/72/26/945757226.db2.gz QMQIWYMZTRCPIX-CYBMUJFWSA-N -1 1 386.460 1.266 20 0 GDADMM CC1(C)CC(CC(=O)N2CCO[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001571279605 945781853 /nfs/dbraw/zinc/78/18/53/945781853.db2.gz WPWKVBXTSMHHIC-ZDUSSCGKSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CC(CC(=O)N2CCO[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001571279605 945781855 /nfs/dbraw/zinc/78/18/55/945781855.db2.gz WPWKVBXTSMHHIC-ZDUSSCGKSA-N -1 1 386.460 1.122 20 0 GDADMM Cc1nsc(NC[C@H]2CCCN2C(=O)c2n[nH]c(C)c2C)c1-c1nn[n-]n1 ZINC001571281614 945805952 /nfs/dbraw/zinc/80/59/52/945805952.db2.gz KBUBWMMQOFBBQK-LLVKDONJSA-N -1 1 387.473 1.688 20 0 GDADMM CCn1cc(C(=O)N(C)[C@@H]2CCN(c3snc(C)c3-c3nn[n-]n3)C2)cn1 ZINC001571282462 945848312 /nfs/dbraw/zinc/84/83/12/945848312.db2.gz ZLPBXFZEFDRXSP-GFCCVEGCSA-N -1 1 387.473 1.199 20 0 GDADMM Cc1nc(-c2nn[n-]n2)c(N2CCC(C(=O)N[C@@H]3C[C@H]3[C@H]3CCCO3)CC2)o1 ZINC001571282716 945857970 /nfs/dbraw/zinc/85/79/70/945857970.db2.gz OIAODQYQIIAIDN-MGPQQGTHSA-N -1 1 387.444 1.063 20 0 GDADMM C[C@@H]1CN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)C[C@H]1NC(=O)OC(C)(C)C ZINC001571282730 945860275 /nfs/dbraw/zinc/86/02/75/945860275.db2.gz PEABLIKTXHDUSH-BXUZGUMPSA-N -1 1 387.444 1.176 20 0 GDADMM C[C@@H]1CN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)C[C@H]1NC(=O)OC(C)(C)C ZINC001571282730 945860294 /nfs/dbraw/zinc/86/02/94/945860294.db2.gz PEABLIKTXHDUSH-BXUZGUMPSA-N -1 1 387.444 1.176 20 0 GDADMM C[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CN1C(=O)c1cc(Cl)cn1C ZINC001571283412 945883263 /nfs/dbraw/zinc/88/32/63/945883263.db2.gz FJYCZXHCKKIEDS-MWLCHTKSSA-N -1 1 387.835 1.364 20 0 GDADMM C[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CN1C(=O)c1cc(Cl)cn1C ZINC001571283412 945883272 /nfs/dbraw/zinc/88/32/72/945883272.db2.gz FJYCZXHCKKIEDS-MWLCHTKSSA-N -1 1 387.835 1.364 20 0 GDADMM C[C@@]1(CNc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)c2cc(Cl)c[nH]2)C1 ZINC001571284386 945900082 /nfs/dbraw/zinc/90/00/82/945900082.db2.gz PINBDLSRHVHLDB-INIZCTEOSA-N -1 1 387.835 1.603 20 0 GDADMM C[C@@]1(CNc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)c2cc(Cl)c[nH]2)C1 ZINC001571284386 945900089 /nfs/dbraw/zinc/90/00/89/945900089.db2.gz PINBDLSRHVHLDB-INIZCTEOSA-N -1 1 387.835 1.603 20 0 GDADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)c2cc(Cl)c[nH]2)C1 ZINC001571285244 945913968 /nfs/dbraw/zinc/91/39/68/945913968.db2.gz ZWKYRCOOYIRVBK-NXEZZACHSA-N -1 1 387.835 1.601 20 0 GDADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)c2cc(Cl)c[nH]2)C1 ZINC001571285244 945913975 /nfs/dbraw/zinc/91/39/75/945913975.db2.gz ZWKYRCOOYIRVBK-NXEZZACHSA-N -1 1 387.835 1.601 20 0 GDADMM COc1ncc(NC(=O)N[C@H]2CCC[C@H](C(=O)N(C)C)C2)cc1-c1nn[n-]n1 ZINC001571286494 945949618 /nfs/dbraw/zinc/94/96/18/945949618.db2.gz JIXVGJLXGSZQCP-QWRGUYRKSA-N -1 1 388.432 1.039 20 0 GDADMM CC(C)[C@H](F)C(=O)N1CCC2(C1)CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001571288539 945988363 /nfs/dbraw/zinc/98/83/63/945988363.db2.gz PZFZZJUCPQLWOO-ZDUSSCGKSA-N -1 1 388.451 1.470 20 0 GDADMM CC(C)[C@H](F)C(=O)N1CCC2(C1)CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001571288539 945988368 /nfs/dbraw/zinc/98/83/68/945988368.db2.gz PZFZZJUCPQLWOO-ZDUSSCGKSA-N -1 1 388.451 1.470 20 0 GDADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)[C@@H]1CCCN(C(=O)C2(F)CCCC2)C1 ZINC001571288940 945996004 /nfs/dbraw/zinc/99/60/04/945996004.db2.gz UVASRFVSAOJXLS-QWHCGFSZSA-N -1 1 388.451 1.978 20 0 GDADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)C2(F)CCCC2)C1 ZINC001571288940 945996011 /nfs/dbraw/zinc/99/60/11/945996011.db2.gz UVASRFVSAOJXLS-QWHCGFSZSA-N -1 1 388.451 1.978 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)C3(F)CCCCC3)C2)cc(-c2nnn[n-]2)n1 ZINC001571289701 946015854 /nfs/dbraw/zinc/01/58/54/946015854.db2.gz KOXZANNPJBZIDF-GFCCVEGCSA-N -1 1 388.451 1.904 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)C3(F)CCCCC3)C2)cc(-c2nn[n-]n2)n1 ZINC001571289701 946015860 /nfs/dbraw/zinc/01/58/60/946015860.db2.gz KOXZANNPJBZIDF-GFCCVEGCSA-N -1 1 388.451 1.904 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C1(F)CCCCC1 ZINC001571289791 946017913 /nfs/dbraw/zinc/01/79/13/946017913.db2.gz MOACHKZKHVEBIN-STQMWFEESA-N -1 1 388.451 1.448 20 0 GDADMM CC[C@H](F)C(=O)N1CCC2(CC1)CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571289976 946025144 /nfs/dbraw/zinc/02/51/44/946025144.db2.gz RLVVULIVOUCDDT-ZDUSSCGKSA-N -1 1 388.451 1.614 20 0 GDADMM CC[C@H](F)C(=O)N1CCC2(CC1)CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001571289976 946025149 /nfs/dbraw/zinc/02/51/49/946025149.db2.gz RLVVULIVOUCDDT-ZDUSSCGKSA-N -1 1 388.451 1.614 20 0 GDADMM CN(c1nccnc1-c1nnn[n-]1)C1CCN(C(=O)[C@@H]2CCC[C@@H](F)C2)CC1 ZINC001571289983 946025503 /nfs/dbraw/zinc/02/55/03/946025503.db2.gz RTSXXNLCWCRJFO-CHWSQXEVSA-N -1 1 388.451 1.612 20 0 GDADMM CN(c1nccnc1-c1nn[n-]n1)C1CCN(C(=O)[C@@H]2CCC[C@@H](F)C2)CC1 ZINC001571289983 946025512 /nfs/dbraw/zinc/02/55/12/946025512.db2.gz RTSXXNLCWCRJFO-CHWSQXEVSA-N -1 1 388.451 1.612 20 0 GDADMM CCc1nc(NC[C@H]2CCCN2C(=O)[C@@H](OC)C(C)C)cc(-c2nnn[n-]2)n1 ZINC001571290088 946027809 /nfs/dbraw/zinc/02/78/09/946027809.db2.gz VBMCDYZGOWBYEO-WBMJQRKESA-N -1 1 388.476 1.293 20 0 GDADMM CCc1nc(NC[C@H]2CCCN2C(=O)[C@@H](OC)C(C)C)cc(-c2nn[n-]n2)n1 ZINC001571290088 946027818 /nfs/dbraw/zinc/02/78/18/946027818.db2.gz VBMCDYZGOWBYEO-WBMJQRKESA-N -1 1 388.476 1.293 20 0 GDADMM Cc1nsc(NCC[C@@H]2CN(C(=O)c3cnco3)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571290081 946029582 /nfs/dbraw/zinc/02/95/82/946029582.db2.gz UUWKTPAZNCLYDS-MWLCHTKSSA-N -1 1 388.457 1.830 20 0 GDADMM O=C([C@@H]1CCC[C@@H](F)C1)N1CCC(CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001571290256 946036260 /nfs/dbraw/zinc/03/62/60/946036260.db2.gz YSTQZQXEJWGPER-ZIAGYGMSSA-N -1 1 388.451 1.836 20 0 GDADMM O=C([C@@H]1CCC[C@@H](F)C1)N1CCC(CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001571290256 946036275 /nfs/dbraw/zinc/03/62/75/946036275.db2.gz YSTQZQXEJWGPER-ZIAGYGMSSA-N -1 1 388.451 1.836 20 0 GDADMM O=C(c1cc(C(F)F)n[nH]1)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571294850 946145453 /nfs/dbraw/zinc/14/54/53/946145453.db2.gz NOBVTVQZXQTOCA-MRVPVSSYSA-N -1 1 390.358 1.034 20 0 GDADMM O=C(c1cc(C(F)F)n[nH]1)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571294850 946145459 /nfs/dbraw/zinc/14/54/59/946145459.db2.gz NOBVTVQZXQTOCA-MRVPVSSYSA-N -1 1 390.358 1.034 20 0 GDADMM O=C([C@H]1C[C@@H]1C(F)F)N1CC[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571296170 946186691 /nfs/dbraw/zinc/18/66/91/946186691.db2.gz PMROCKCPFNZSQC-RHYQMDGZSA-N -1 1 390.398 1.128 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccc2c(c1)CCCC2 ZINC001571297816 946196129 /nfs/dbraw/zinc/19/61/29/946196129.db2.gz AJIIMIFFQODWJB-WKILWMFISA-N -1 1 390.451 1.908 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccc2c(c1)CCCC2 ZINC001571297816 946196134 /nfs/dbraw/zinc/19/61/34/946196134.db2.gz AJIIMIFFQODWJB-WKILWMFISA-N -1 1 390.451 1.908 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)c1ccc2c(c1)CCC2 ZINC001571297863 946199422 /nfs/dbraw/zinc/19/94/22/946199422.db2.gz BRKIQAMHJAIIGE-YGUOUDRMSA-N -1 1 390.451 1.766 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)c1ccc2c(c1)CCC2 ZINC001571297863 946199427 /nfs/dbraw/zinc/19/94/27/946199427.db2.gz BRKIQAMHJAIIGE-YGUOUDRMSA-N -1 1 390.451 1.766 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1)c1ccccc1 ZINC001571298126 946205540 /nfs/dbraw/zinc/20/55/40/946205540.db2.gz AGDPGOYGYLGLAS-BMFZPTHFSA-N -1 1 390.451 1.355 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1)c1ccccc1 ZINC001571298126 946205553 /nfs/dbraw/zinc/20/55/53/946205553.db2.gz AGDPGOYGYLGLAS-BMFZPTHFSA-N -1 1 390.451 1.355 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccc(C2CC2)cc1 ZINC001571298782 946229412 /nfs/dbraw/zinc/22/94/12/946229412.db2.gz QYILPVBUIOAWPZ-DRQUAOQDSA-N -1 1 390.451 1.577 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)CCN1c1nccnc1-c1nnn[n-]1 ZINC001571298950 946235215 /nfs/dbraw/zinc/23/52/15/946235215.db2.gz MIPWLIPBKOLSQT-OJLVUWQFSA-N -1 1 390.451 1.544 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)CCN1c1nccnc1-c1nn[n-]n1 ZINC001571298950 946235227 /nfs/dbraw/zinc/23/52/27/946235227.db2.gz MIPWLIPBKOLSQT-OJLVUWQFSA-N -1 1 390.451 1.544 20 0 GDADMM CC(=O)N[C@H](CC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1c(F)cccc1F ZINC001573486681 946243885 /nfs/dbraw/zinc/24/38/85/946243885.db2.gz IIBVOBOIDFQUGP-GFCCVEGCSA-N -1 1 390.354 1.084 20 0 GDADMM CC(=O)N[C@H](CC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1c(F)cccc1F ZINC001573486681 946243892 /nfs/dbraw/zinc/24/38/92/946243892.db2.gz IIBVOBOIDFQUGP-GFCCVEGCSA-N -1 1 390.354 1.084 20 0 GDADMM CC(=O)N[C@@H](CC(=O)NCc1ccnc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC001573486625 946244584 /nfs/dbraw/zinc/24/45/84/946244584.db2.gz HTJBCDLGWQPAJO-HNNXBMFYSA-N -1 1 399.842 1.799 20 0 GDADMM CC(=O)N[C@@H](CC(=O)NCc1ccnc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC001573486625 946244594 /nfs/dbraw/zinc/24/45/94/946244594.db2.gz HTJBCDLGWQPAJO-HNNXBMFYSA-N -1 1 399.842 1.799 20 0 GDADMM O=C(N[C@@H]1CC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1)c1ccccc1 ZINC001571299524 946253339 /nfs/dbraw/zinc/25/33/39/946253339.db2.gz WQOCZGGNCVCDCR-BZUAXINKSA-N -1 1 390.451 1.692 20 0 GDADMM O=C(N[C@@H]1CC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1)c1ccccc1 ZINC001571299524 946253348 /nfs/dbraw/zinc/25/33/48/946253348.db2.gz WQOCZGGNCVCDCR-BZUAXINKSA-N -1 1 390.451 1.692 20 0 GDADMM O=C1Nc2ccccc2CC[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001571299503 946253729 /nfs/dbraw/zinc/25/37/29/946253729.db2.gz SRLAGHRGTLYRCY-NSHDSACASA-N -1 1 390.450 1.160 20 0 GDADMM O=C1Nc2ccccc2CC[C@@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001571299503 946253738 /nfs/dbraw/zinc/25/37/38/946253738.db2.gz SRLAGHRGTLYRCY-NSHDSACASA-N -1 1 390.450 1.160 20 0 GDADMM Cc1cccc(C(=O)N[C@@]23CCC[C@@H]2N(c2cnc(-c4nnn[n-]4)cn2)CC3)c1 ZINC001571299506 946254803 /nfs/dbraw/zinc/25/48/03/946254803.db2.gz SSIOLXDINXEURZ-OXJNMPFZSA-N -1 1 390.451 1.897 20 0 GDADMM Cc1cccc(C(=O)N[C@@]23CCC[C@@H]2N(c2cnc(-c4nn[n-]n4)cn2)CC3)c1 ZINC001571299506 946254810 /nfs/dbraw/zinc/25/48/10/946254810.db2.gz SSIOLXDINXEURZ-OXJNMPFZSA-N -1 1 390.451 1.897 20 0 GDADMM Cc1nsc(N2CC[C@@H](NC(=O)c3cscn3)C[C@@H]2C)c1-c1nn[n-]n1 ZINC001571299604 946255750 /nfs/dbraw/zinc/25/57/50/946255750.db2.gz YJSQFCZUJRVRNS-WCBMZHEXSA-N -1 1 390.498 1.875 20 0 GDADMM Cc1nsc(N2CC[C@H](NC(=O)c3cscn3)C[C@@H]2C)c1-c1nn[n-]n1 ZINC001571299605 946256028 /nfs/dbraw/zinc/25/60/28/946256028.db2.gz YJSQFCZUJRVRNS-WPRPVWTQSA-N -1 1 390.498 1.875 20 0 GDADMM Cc1nsc(N2CC[C@H](NC(=O)c3cscn3)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571299603 946257290 /nfs/dbraw/zinc/25/72/90/946257290.db2.gz YJSQFCZUJRVRNS-SCZZXKLOSA-N -1 1 390.498 1.875 20 0 GDADMM O=C(NC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1csc(Cl)c1 ZINC001571300097 946271333 /nfs/dbraw/zinc/27/13/33/946271333.db2.gz UTLLWCLMZJGGTB-VIFPVBQESA-N -1 1 390.860 1.628 20 0 GDADMM O=C(NC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1csc(Cl)c1 ZINC001571300097 946271347 /nfs/dbraw/zinc/27/13/47/946271347.db2.gz UTLLWCLMZJGGTB-VIFPVBQESA-N -1 1 390.860 1.628 20 0 GDADMM O=C(NC1CCN(c2nccnc2-c2nnn[n-]2)CC1)c1cscc1Cl ZINC001571300094 946272708 /nfs/dbraw/zinc/27/27/08/946272708.db2.gz URVLFRMROKHWNK-UHFFFAOYSA-N -1 1 390.860 1.770 20 0 GDADMM O=C(NC1CCN(c2nccnc2-c2nn[n-]n2)CC1)c1cscc1Cl ZINC001571300094 946272713 /nfs/dbraw/zinc/27/27/13/946272713.db2.gz URVLFRMROKHWNK-UHFFFAOYSA-N -1 1 390.860 1.770 20 0 GDADMM CC(=O)N[C@H]1C[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)Oc2ccccc21 ZINC001573495190 946309253 /nfs/dbraw/zinc/30/92/53/946309253.db2.gz OXYMYSCIXKDBBI-HNAYVOBHSA-N -1 1 392.423 1.266 20 0 GDADMM CC(=O)N[C@H]1C[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)Oc2ccccc21 ZINC001573495190 946309266 /nfs/dbraw/zinc/30/92/66/946309266.db2.gz OXYMYSCIXKDBBI-HNAYVOBHSA-N -1 1 392.423 1.266 20 0 GDADMM O=C(c1ccccn1)N1CCC[C@@H]2CN(c3nccnc3-c3nnn[n-]3)CC[C@@H]21 ZINC001571303740 946347385 /nfs/dbraw/zinc/34/73/85/946347385.db2.gz WYNAITWLBNKPDP-HIFRSBDPSA-N -1 1 391.439 1.183 20 0 GDADMM O=C(c1ccccn1)N1CCC[C@@H]2CN(c3nccnc3-c3nn[n-]n3)CC[C@@H]21 ZINC001571303740 946347394 /nfs/dbraw/zinc/34/73/94/946347394.db2.gz WYNAITWLBNKPDP-HIFRSBDPSA-N -1 1 391.439 1.183 20 0 GDADMM C[C@H]1CN(C(=O)c2cccnc2C2CC2)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571304177 946361640 /nfs/dbraw/zinc/36/16/40/946361640.db2.gz ZPESYZQNGPHXSW-NHYWBVRUSA-N -1 1 391.439 1.502 20 0 GDADMM C[C@H]1CN(C(=O)c2cccnc2C2CC2)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571304177 946361654 /nfs/dbraw/zinc/36/16/54/946361654.db2.gz ZPESYZQNGPHXSW-NHYWBVRUSA-N -1 1 391.439 1.502 20 0 GDADMM Cc1nsc(N2CCC[C@@H]2CNC(=O)[C@@H]2CCCOCC2)c1-c1nn[n-]n1 ZINC001571305588 946366396 /nfs/dbraw/zinc/36/63/96/946366396.db2.gz GKZUBOPZWSODRP-CHWSQXEVSA-N -1 1 391.501 1.533 20 0 GDADMM Cc1ncncc1C(=O)N[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571305646 946369583 /nfs/dbraw/zinc/36/95/83/946369583.db2.gz IILNKWLRIAHMFH-QMMMGPOBSA-N -1 1 391.848 1.084 20 0 GDADMM Cc1ncncc1C(=O)N[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571305646 946369593 /nfs/dbraw/zinc/36/95/93/946369593.db2.gz IILNKWLRIAHMFH-QMMMGPOBSA-N -1 1 391.848 1.084 20 0 GDADMM Cc1nsc(N2C[C@H](NC(=O)[C@@H]3CCCCO3)C(C)(C)C2)c1-c1nn[n-]n1 ZINC001571305670 946370850 /nfs/dbraw/zinc/37/08/50/946370850.db2.gz IXPAVKBPMKILII-RYUDHWBXSA-N -1 1 391.501 1.532 20 0 GDADMM CN(C(=O)c1csc(Cl)n1)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571305683 946371571 /nfs/dbraw/zinc/37/15/71/946371571.db2.gz JGPJENUNRDNSMI-QMMMGPOBSA-N -1 1 391.848 1.118 20 0 GDADMM CN(C(=O)c1csc(Cl)n1)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571305683 946371581 /nfs/dbraw/zinc/37/15/81/946371581.db2.gz JGPJENUNRDNSMI-QMMMGPOBSA-N -1 1 391.848 1.118 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H](Nc3snc(Cl)c3-c3nnn[n-]3)C2)ncn1 ZINC001571305874 946378251 /nfs/dbraw/zinc/37/82/51/946378251.db2.gz MRWHCUKXITWKIO-QMMMGPOBSA-N -1 1 391.848 1.402 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H](Nc3snc(Cl)c3-c3nn[n-]n3)C2)ncn1 ZINC001571305874 946378261 /nfs/dbraw/zinc/37/82/61/946378261.db2.gz MRWHCUKXITWKIO-QMMMGPOBSA-N -1 1 391.848 1.402 20 0 GDADMM Cc1nsc(N(C)[C@H]2CCCN(C(=O)C[C@@H]3CCCO3)C2)c1-c1nn[n-]n1 ZINC001571306060 946385085 /nfs/dbraw/zinc/38/50/85/946385085.db2.gz OTSIPJLFKSGSFH-STQMWFEESA-N -1 1 391.501 1.628 20 0 GDADMM C[C@]1(NC(=O)c2cccnn2)CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571306071 946385660 /nfs/dbraw/zinc/38/56/60/946385660.db2.gz OZWIFFGMJZUINC-AWEZNQCLSA-N -1 1 391.848 1.165 20 0 GDADMM CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001571306258 946395379 /nfs/dbraw/zinc/39/53/79/946395379.db2.gz RMQMQGHXVOUYCE-FZMZJTMJSA-N -1 1 391.501 1.765 20 0 GDADMM CO[C@H]1CCC[C@@H](C(=O)N2CCN(c3snc(C)c3-c3nn[n-]n3)CC2)C1 ZINC001571306321 946396596 /nfs/dbraw/zinc/39/65/96/946396596.db2.gz SQIVLAZTOARSAD-OLZOCXBDSA-N -1 1 391.501 1.485 20 0 GDADMM Cc1nsc(N2C[C@H]3CN(C(=O)C4(CF)CCC4)C[C@H]3C2)c1-c1nn[n-]n1 ZINC001571306444 946400843 /nfs/dbraw/zinc/40/08/43/946400843.db2.gz KWEFUUBPZXIBIE-TXEJJXNPSA-N -1 1 391.476 1.666 20 0 GDADMM Cc1cnc(C(=O)N[C@H]2C[C@@H](Nc3nc(Cl)c(-c4nnn[n-]4)s3)C2)cn1 ZINC001571306568 946404378 /nfs/dbraw/zinc/40/43/78/946404378.db2.gz XOMFJPIAGQKYIV-OCAPTIKFSA-N -1 1 391.848 1.448 20 0 GDADMM Cc1cnc(C(=O)N[C@H]2C[C@@H](Nc3nc(Cl)c(-c4nn[n-]n4)s3)C2)cn1 ZINC001571306568 946404387 /nfs/dbraw/zinc/40/43/87/946404387.db2.gz XOMFJPIAGQKYIV-OCAPTIKFSA-N -1 1 391.848 1.448 20 0 GDADMM O=S(=O)(c1ccsc1-c1nn[n-]n1)N1CCC[C@@]1(CO)c1ccccc1 ZINC001571306613 946405327 /nfs/dbraw/zinc/40/53/27/946405327.db2.gz MEXPZEWVJWISQR-MRXNPFEDSA-N -1 1 391.478 1.601 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCCC[C@H]2CNC(=O)[C@H]2CC2(F)F)n1 ZINC001571307363 946423646 /nfs/dbraw/zinc/42/36/46/946423646.db2.gz CUIYHLSUWLKLPA-NWDGAFQWSA-N -1 1 392.414 1.486 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCCC[C@H]2CNC(=O)[C@H]2CC2(F)F)n1 ZINC001571307363 946423652 /nfs/dbraw/zinc/42/36/52/946423652.db2.gz CUIYHLSUWLKLPA-NWDGAFQWSA-N -1 1 392.414 1.486 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571307580 946424498 /nfs/dbraw/zinc/42/44/98/946424498.db2.gz FNOFJTIGHDRQNV-QWRGUYRKSA-N -1 1 392.414 1.020 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C[C@@H]2CCCC2(F)F)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571308594 946436070 /nfs/dbraw/zinc/43/60/70/946436070.db2.gz RYZSVWNPTCNDOZ-WOPDTQHZSA-N -1 1 392.414 1.566 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H]3[C@@H]2CCCN3C(=O)CC(C)(F)F)n1 ZINC001571309358 946441638 /nfs/dbraw/zinc/44/16/38/946441638.db2.gz YFYJHZYDRDPCMP-STQMWFEESA-N -1 1 392.414 1.580 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H]3[C@@H]2CCCN3C(=O)CC(C)(F)F)n1 ZINC001571309358 946441640 /nfs/dbraw/zinc/44/16/40/946441640.db2.gz YFYJHZYDRDPCMP-STQMWFEESA-N -1 1 392.414 1.580 20 0 GDADMM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1NC(=O)[C@@H]1CCCCC1(F)F ZINC001571309200 946443167 /nfs/dbraw/zinc/44/31/67/946443167.db2.gz XLOGYCHZAQMZJI-NTZNESFSSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1NC(=O)[C@@H]1CCCCC1(F)F ZINC001571309200 946443177 /nfs/dbraw/zinc/44/31/77/946443177.db2.gz XLOGYCHZAQMZJI-NTZNESFSSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(C(F)F)CC2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571309425 946443998 /nfs/dbraw/zinc/44/39/98/946443998.db2.gz ZQPRPPXOPREMNV-GHMZBOCLSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(C(F)F)CC2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571309425 946444005 /nfs/dbraw/zinc/44/40/05/946444005.db2.gz ZQPRPPXOPREMNV-GHMZBOCLSA-N -1 1 392.414 1.599 20 0 GDADMM O=C(NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)[C@@H]1CCCC(F)(F)C1 ZINC001571309478 946444276 /nfs/dbraw/zinc/44/42/76/946444276.db2.gz BDXXGCWPRLILSS-LLVKDONJSA-N -1 1 392.414 1.567 20 0 GDADMM O=C(C[C@H]1CCC(F)(F)C1)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571309763 946453392 /nfs/dbraw/zinc/45/33/92/946453392.db2.gz KCEBVGGGXVIHLJ-NEPJUHHUSA-N -1 1 392.414 1.567 20 0 GDADMM O=C(C[C@H]1CCC(F)(F)C1)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571309763 946453400 /nfs/dbraw/zinc/45/34/00/946453400.db2.gz KCEBVGGGXVIHLJ-NEPJUHHUSA-N -1 1 392.414 1.567 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCO[C@H](c2ccco2)C1 ZINC000823606785 946453420 /nfs/dbraw/zinc/45/34/20/946453420.db2.gz MOKRYAHWUTYWNY-LBPRGKRZSA-N -1 1 395.828 1.875 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCO[C@H](c2ccco2)C1 ZINC000823606785 946453427 /nfs/dbraw/zinc/45/34/27/946453427.db2.gz MOKRYAHWUTYWNY-LBPRGKRZSA-N -1 1 395.828 1.875 20 0 GDADMM OC[C@@H](CNc1nccnc1-c1nnn[n-]1)Cc1ccc(OC(F)(F)F)cc1 ZINC000823704949 946467817 /nfs/dbraw/zinc/46/78/17/946467817.db2.gz CTKGZSAFBLQJOI-LLVKDONJSA-N -1 1 395.345 1.818 20 0 GDADMM OC[C@@H](CNc1nccnc1-c1nn[n-]n1)Cc1ccc(OC(F)(F)F)cc1 ZINC000823704949 946467822 /nfs/dbraw/zinc/46/78/22/946467822.db2.gz CTKGZSAFBLQJOI-LLVKDONJSA-N -1 1 395.345 1.818 20 0 GDADMM COc1nscc1S(=O)(=O)[N-][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC001571311454 946487400 /nfs/dbraw/zinc/48/74/00/946487400.db2.gz XUXABZXWGUHUFP-LBPRGKRZSA-N -1 1 392.466 1.688 20 0 GDADMM C[C@@H]1CCCN(C(=O)Cc2ccccc2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571312772 946500555 /nfs/dbraw/zinc/50/05/55/946500555.db2.gz CUGWMWHNZSTWHD-RHSMWYFYSA-N -1 1 392.467 1.938 20 0 GDADMM C[C@@H]1CCCN(C(=O)Cc2ccccc2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571312772 946500563 /nfs/dbraw/zinc/50/05/63/946500563.db2.gz CUGWMWHNZSTWHD-RHSMWYFYSA-N -1 1 392.467 1.938 20 0 GDADMM CCc1ccccc1CC(=O)NC1CC(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571312785 946502330 /nfs/dbraw/zinc/50/23/30/946502330.db2.gz CYSWSNMLGHDUPR-UHFFFAOYSA-N -1 1 392.467 1.769 20 0 GDADMM CCc1ccccc1CC(=O)NC1CC(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571312785 946502337 /nfs/dbraw/zinc/50/23/37/946502337.db2.gz CYSWSNMLGHDUPR-UHFFFAOYSA-N -1 1 392.467 1.769 20 0 GDADMM CCc1ccccc1C(=O)N1CC[C@H](N(C)c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571313172 946512960 /nfs/dbraw/zinc/51/29/60/946512960.db2.gz JDLDVZMZAJLXFA-HNNXBMFYSA-N -1 1 392.467 1.878 20 0 GDADMM CCc1ccccc1C(=O)N1CC[C@H](N(C)c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571313172 946512972 /nfs/dbraw/zinc/51/29/72/946512972.db2.gz JDLDVZMZAJLXFA-HNNXBMFYSA-N -1 1 392.467 1.878 20 0 GDADMM CN(c1cncc(-c2nnn[n-]2)n1)C1CCN(C(=O)CCc2ccccc2)CC1 ZINC001571313331 946517500 /nfs/dbraw/zinc/51/75/00/946517500.db2.gz MSPQXLFPHXUIRD-UHFFFAOYSA-N -1 1 392.467 1.717 20 0 GDADMM CN(c1cncc(-c2nn[n-]n2)n1)C1CCN(C(=O)CCc2ccccc2)CC1 ZINC001571313331 946517515 /nfs/dbraw/zinc/51/75/15/946517515.db2.gz MSPQXLFPHXUIRD-UHFFFAOYSA-N -1 1 392.467 1.717 20 0 GDADMM Cc1ccc(C)c(CC(=O)N2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)CC2)c1 ZINC001571315230 946550461 /nfs/dbraw/zinc/55/04/61/946550461.db2.gz HUFMKLFOXADTMH-UHFFFAOYSA-N -1 1 392.467 1.473 20 0 GDADMM Cc1ccc(C)c(CC(=O)N2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)CC2)c1 ZINC001571315230 946550471 /nfs/dbraw/zinc/55/04/71/946550471.db2.gz HUFMKLFOXADTMH-UHFFFAOYSA-N -1 1 392.467 1.473 20 0 GDADMM Cc1ccc(CC(=O)N2CCC[C@H]2CN(C)c2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001571315428 946551911 /nfs/dbraw/zinc/55/19/11/946551911.db2.gz KKYUDHOSDVTJTP-INIZCTEOSA-N -1 1 392.467 1.635 20 0 GDADMM Cc1ccc(CC(=O)N2CCC[C@H]2CN(C)c2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001571315428 946551915 /nfs/dbraw/zinc/55/19/15/946551915.db2.gz KKYUDHOSDVTJTP-INIZCTEOSA-N -1 1 392.467 1.635 20 0 GDADMM Cc1cc(C)c(C(=O)NC[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)c(C)c1 ZINC001571316211 946568154 /nfs/dbraw/zinc/56/81/54/946568154.db2.gz WFUOOKZLZRLEAD-HNNXBMFYSA-N -1 1 392.467 1.838 20 0 GDADMM Cc1cc(C)c(C(=O)NC[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)c(C)c1 ZINC001571316211 946568156 /nfs/dbraw/zinc/56/81/56/946568156.db2.gz WFUOOKZLZRLEAD-HNNXBMFYSA-N -1 1 392.467 1.838 20 0 GDADMM Cc1ccc(C)c(C(=O)N2CC[C@@H](CN(C)c3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571316242 946570765 /nfs/dbraw/zinc/57/07/65/946570765.db2.gz XDZLSVPZLRGMIS-HNNXBMFYSA-N -1 1 392.467 1.872 20 0 GDADMM Cc1ccc(C)c(C(=O)N2CC[C@@H](CN(C)c3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571316242 946570767 /nfs/dbraw/zinc/57/07/67/946570767.db2.gz XDZLSVPZLRGMIS-HNNXBMFYSA-N -1 1 392.467 1.872 20 0 GDADMM Cc1cccc(CC(=O)N[C@H]2CCCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)c1 ZINC001571317189 946601773 /nfs/dbraw/zinc/60/17/73/946601773.db2.gz XSPVNCYGAHLTLH-INIZCTEOSA-N -1 1 392.467 1.601 20 0 GDADMM Cc1cccc(CC(=O)N[C@H]2CCCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)c1 ZINC001571317189 946601785 /nfs/dbraw/zinc/60/17/85/946601785.db2.gz XSPVNCYGAHLTLH-INIZCTEOSA-N -1 1 392.467 1.601 20 0 GDADMM C[C@H]1CN(C(=O)Cc2ccc[nH]2)C[C@@H]1Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001571317936 946623375 /nfs/dbraw/zinc/62/33/75/946623375.db2.gz ZFJHXKVVYBKOPS-WPRPVWTQSA-N -1 1 392.876 1.806 20 0 GDADMM CC(=O)NCc1ccc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)cc1 ZINC001573533771 946718928 /nfs/dbraw/zinc/71/89/28/946718928.db2.gz YXNARODVVVMGGN-UHFFFAOYSA-N -1 1 382.428 1.707 20 0 GDADMM CC(=O)NCc1ccc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)cc1 ZINC001573533771 946718937 /nfs/dbraw/zinc/71/89/37/946718937.db2.gz YXNARODVVVMGGN-UHFFFAOYSA-N -1 1 382.428 1.707 20 0 GDADMM CC(=O)Nc1ccc(C)c(S(=O)(=O)NCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001573547727 946838424 /nfs/dbraw/zinc/83/84/24/946838424.db2.gz RJLCMGZQVQZNAO-UHFFFAOYSA-N -1 1 387.425 1.007 20 0 GDADMM CC(=O)Nc1ccc(C)c(S(=O)(=O)NCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001573547727 946838434 /nfs/dbraw/zinc/83/84/34/946838434.db2.gz RJLCMGZQVQZNAO-UHFFFAOYSA-N -1 1 387.425 1.007 20 0 GDADMM C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000824978482 947019758 /nfs/dbraw/zinc/01/97/58/947019758.db2.gz WDAKQPCQMIJVMC-JTQLQIEISA-N -1 1 391.436 1.073 20 0 GDADMM C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000824978482 947019768 /nfs/dbraw/zinc/01/97/68/947019768.db2.gz WDAKQPCQMIJVMC-JTQLQIEISA-N -1 1 391.436 1.073 20 0 GDADMM C=C1c2ccccc2C(=O)N1CCC(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001573301169 947130769 /nfs/dbraw/zinc/13/07/69/947130769.db2.gz SSXOMEFINILMEP-UHFFFAOYSA-N -1 1 375.392 1.741 20 0 GDADMM C=C1c2ccccc2C(=O)N1CCC(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001573301169 947130773 /nfs/dbraw/zinc/13/07/73/947130773.db2.gz SSXOMEFINILMEP-UHFFFAOYSA-N -1 1 375.392 1.741 20 0 GDADMM CCCCNC(=O)c1ccc(CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)cc1 ZINC000825290988 947142977 /nfs/dbraw/zinc/14/29/77/947142977.db2.gz LAWRXZRKDCGLME-UHFFFAOYSA-N -1 1 397.439 1.552 20 0 GDADMM CCCCNC(=O)c1ccc(CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)cc1 ZINC000825290988 947142984 /nfs/dbraw/zinc/14/29/84/947142984.db2.gz LAWRXZRKDCGLME-UHFFFAOYSA-N -1 1 397.439 1.552 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)Nc2ccc(Cl)cc2)c1-c1nn[n-]n1 ZINC000825571007 947235104 /nfs/dbraw/zinc/23/51/04/947235104.db2.gz RYKCUDCXNMCSOL-UHFFFAOYSA-N -1 1 375.776 1.532 20 0 GDADMM C=C/C(C)=C/CC(=O)N[C@H](C)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573315265 947250099 /nfs/dbraw/zinc/25/00/99/947250099.db2.gz BYCREBZBOKUVBW-PHIGAYBXSA-N -1 1 382.472 1.900 20 0 GDADMM C=C/C(C)=C/CC(=O)N[C@H](C)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573315265 947250110 /nfs/dbraw/zinc/25/01/10/947250110.db2.gz BYCREBZBOKUVBW-PHIGAYBXSA-N -1 1 382.472 1.900 20 0 GDADMM C[C@H](C(=O)N(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)C(F)(F)F ZINC001573592151 947328992 /nfs/dbraw/zinc/32/89/92/947328992.db2.gz ANUMUGUOGKABPH-KCJUWKMLSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@H](C(=O)N(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)C(F)(F)F ZINC001573592151 947329003 /nfs/dbraw/zinc/32/90/03/947329003.db2.gz ANUMUGUOGKABPH-KCJUWKMLSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@@H](C(=O)N(C)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1cccs1 ZINC001573593389 947371985 /nfs/dbraw/zinc/37/19/85/947371985.db2.gz SOUPXBISHIXIJB-NEPJUHHUSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@@H](C(=O)N(C)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1cccs1 ZINC001573593389 947371997 /nfs/dbraw/zinc/37/19/97/947371997.db2.gz SOUPXBISHIXIJB-NEPJUHHUSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@@H](C(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccsc1 ZINC001573594057 947387815 /nfs/dbraw/zinc/38/78/15/947387815.db2.gz WXFXENXZMCICEW-YPMHNXCESA-N -1 1 384.469 1.559 20 0 GDADMM C[C@@H](C(=O)N(C)[C@H](c1ncc[nH]1)c1ccc(F)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001573595226 947417578 /nfs/dbraw/zinc/41/75/78/947417578.db2.gz WSWOMVIIDRJLAY-GWCFXTLKSA-N -1 1 396.390 1.129 20 0 GDADMM C[C@@H](C(=O)N(C)CCNc1nccnc1-c1nnn[n-]1)c1ccc(F)c(F)c1 ZINC001573603245 947481814 /nfs/dbraw/zinc/48/18/14/947481814.db2.gz FLXLOAYIULJTFC-SNVBAGLBSA-N -1 1 388.382 1.609 20 0 GDADMM C[C@@H](C(=O)N(C)CCNc1nccnc1-c1nn[n-]n1)c1ccc(F)c(F)c1 ZINC001573603245 947481820 /nfs/dbraw/zinc/48/18/20/947481820.db2.gz FLXLOAYIULJTFC-SNVBAGLBSA-N -1 1 388.382 1.609 20 0 GDADMM COCC[C@@H](Cc1ccco1)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826154417 947486532 /nfs/dbraw/zinc/48/65/32/947486532.db2.gz OYQHTCGVMXHORL-NSHDSACASA-N -1 1 395.416 1.525 20 0 GDADMM COCC[C@@H](Cc1ccco1)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826154417 947486536 /nfs/dbraw/zinc/48/65/36/947486536.db2.gz OYQHTCGVMXHORL-NSHDSACASA-N -1 1 395.416 1.525 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)C1CCCC1 ZINC001573613774 947571453 /nfs/dbraw/zinc/57/14/53/947571453.db2.gz IKTQYPHCMVRZCE-AEGPPILISA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)C1CCCC1 ZINC001573613774 947571463 /nfs/dbraw/zinc/57/14/63/947571463.db2.gz IKTQYPHCMVRZCE-AEGPPILISA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](C(=O)N1CC[C@](C)(CNc2nccnc2-c2nnn[n-]2)C1)C(C)(F)F ZINC001573614403 947582557 /nfs/dbraw/zinc/58/25/57/947582557.db2.gz DXEJOSQDVGXGHP-MEBBXXQBSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H](C(=O)N1CC[C@](C)(CNc2nccnc2-c2nn[n-]n2)C1)C(C)(F)F ZINC001573614403 947582565 /nfs/dbraw/zinc/58/25/65/947582565.db2.gz DXEJOSQDVGXGHP-MEBBXXQBSA-N -1 1 380.403 1.599 20 0 GDADMM COc1ccc(C[C@@H](C)CN(C)C(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000826191869 947587766 /nfs/dbraw/zinc/58/77/66/947587766.db2.gz SDAIIWUPOWCEPY-GFCCVEGCSA-N -1 1 384.444 1.951 20 0 GDADMM COc1ccc(C[C@@H](C)CN(C)C(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000826191869 947587780 /nfs/dbraw/zinc/58/77/80/947587780.db2.gz SDAIIWUPOWCEPY-GFCCVEGCSA-N -1 1 384.444 1.951 20 0 GDADMM COc1ccc(CN2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)nc1 ZINC000826195571 947593427 /nfs/dbraw/zinc/59/34/27/947593427.db2.gz YIPQJPVTPKIYPF-UHFFFAOYSA-N -1 1 382.428 1.458 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)c1cccnc1 ZINC001573614876 947595834 /nfs/dbraw/zinc/59/58/34/947595834.db2.gz AYDLHIAGFXQDFW-STQMWFEESA-N -1 1 379.428 1.116 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)c1cccnc1 ZINC001573614876 947595839 /nfs/dbraw/zinc/59/58/39/947595839.db2.gz AYDLHIAGFXQDFW-STQMWFEESA-N -1 1 379.428 1.116 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1)C(C)(C)C ZINC001573615108 947597988 /nfs/dbraw/zinc/59/79/88/947597988.db2.gz RDHQAZRAZARYEU-MCIONIFRSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1)C(C)(C)C ZINC001573615108 947597994 /nfs/dbraw/zinc/59/79/94/947597994.db2.gz RDHQAZRAZARYEU-MCIONIFRSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@@H](C(=O)N1CCC(N(C)c2nccnc2-c2nnn[n-]2)CC1)C1CCCC1 ZINC001573615659 947608795 /nfs/dbraw/zinc/60/87/95/947608795.db2.gz FQNLBQNEHHSQPO-CYBMUJFWSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](C(=O)N1CCC(N(C)c2nccnc2-c2nn[n-]n2)CC1)C1CCCC1 ZINC001573615659 947608804 /nfs/dbraw/zinc/60/88/04/947608804.db2.gz FQNLBQNEHHSQPO-CYBMUJFWSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001573615772 947611098 /nfs/dbraw/zinc/61/10/98/947611098.db2.gz KLIFDSCHOZWMMD-OLZOCXBDSA-N -1 1 382.428 1.126 20 0 GDADMM C[C@H](C(=O)N1CCC(CNc2nccnc2-c2nnn[n-]2)CC1)C(F)(F)F ZINC001573615915 947613693 /nfs/dbraw/zinc/61/36/93/947613693.db2.gz GMDQIKUBCRLCOW-SECBINFHSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@H](C(=O)N1CCC(CNc2nccnc2-c2nn[n-]n2)CC1)C(F)(F)F ZINC001573615915 947613698 /nfs/dbraw/zinc/61/36/98/947613698.db2.gz GMDQIKUBCRLCOW-SECBINFHSA-N -1 1 384.366 1.506 20 0 GDADMM COc1ccc(OC(F)F)c(CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)c1 ZINC000826211257 947615270 /nfs/dbraw/zinc/61/52/70/947615270.db2.gz VPZZHUWCBIXVGQ-UHFFFAOYSA-N -1 1 394.338 1.632 20 0 GDADMM COc1ccc(OC(F)F)c(CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)c1 ZINC000826211257 947615275 /nfs/dbraw/zinc/61/52/75/947615275.db2.gz VPZZHUWCBIXVGQ-UHFFFAOYSA-N -1 1 394.338 1.632 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001573616189 947619652 /nfs/dbraw/zinc/61/96/52/947619652.db2.gz VRDDMQJXEDHDOH-MXWKQRLJSA-N -1 1 378.387 1.128 20 0 GDADMM COc1ccc2cc(C(=O)N(C)CCCc3[nH]nc(N)c3-c3nnn[n-]3)[nH]c2c1 ZINC000826213214 947623659 /nfs/dbraw/zinc/62/36/59/947623659.db2.gz OTMFURJPQBTQGT-UHFFFAOYSA-N -1 1 395.427 1.367 20 0 GDADMM COc1ccc2cc(C(=O)N(C)CCCc3[nH]nc(N)c3-c3nn[n-]n3)[nH]c2c1 ZINC000826213214 947623675 /nfs/dbraw/zinc/62/36/75/947623675.db2.gz OTMFURJPQBTQGT-UHFFFAOYSA-N -1 1 395.427 1.367 20 0 GDADMM C=Cc1ccc(C(=O)N(C)[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001573352178 947628341 /nfs/dbraw/zinc/62/83/41/947628341.db2.gz XPJPKRKEKXCPIL-OAHLLOKOSA-N -1 1 376.424 1.651 20 0 GDADMM C=Cc1ccc(C(=O)N(C)[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001573352178 947628345 /nfs/dbraw/zinc/62/83/45/947628345.db2.gz XPJPKRKEKXCPIL-OAHLLOKOSA-N -1 1 376.424 1.651 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001573354608 947634817 /nfs/dbraw/zinc/63/48/17/947634817.db2.gz FKUPGFYNTUWAJC-CQSZACIVSA-N -1 1 376.424 1.556 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001573354608 947634826 /nfs/dbraw/zinc/63/48/26/947634826.db2.gz FKUPGFYNTUWAJC-CQSZACIVSA-N -1 1 376.424 1.556 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C2CC2)cc1 ZINC001573355321 947640602 /nfs/dbraw/zinc/64/06/02/947640602.db2.gz NZKDRQDYYSRQIY-HNNXBMFYSA-N -1 1 376.424 1.920 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C2CC2)cc1 ZINC001573355321 947640609 /nfs/dbraw/zinc/64/06/09/947640609.db2.gz NZKDRQDYYSRQIY-HNNXBMFYSA-N -1 1 376.424 1.920 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)c1cccs1 ZINC001573617833 947641335 /nfs/dbraw/zinc/64/13/35/947641335.db2.gz NJIRFHKVDCQZGM-VXGBXAGGSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573617833 947641342 /nfs/dbraw/zinc/64/13/42/947641342.db2.gz NJIRFHKVDCQZGM-VXGBXAGGSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@H](C(=O)N1CCC(C)(Nc2cnc(-c3nnn[n-]3)cn2)CC1)[C@@H]1CCCO1 ZINC001573617887 947644108 /nfs/dbraw/zinc/64/41/08/947644108.db2.gz QDXDAFLTHSZKBV-JSGCOSHPSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H](C(=O)N1CCC(C)(Nc2cnc(-c3nn[n-]n3)cn2)CC1)[C@@H]1CCCO1 ZINC001573617887 947644112 /nfs/dbraw/zinc/64/41/12/947644112.db2.gz QDXDAFLTHSZKBV-JSGCOSHPSA-N -1 1 386.460 1.265 20 0 GDADMM COc1ccccc1C[C@H]1CCCN1C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000826219770 947651433 /nfs/dbraw/zinc/65/14/33/947651433.db2.gz QAGPLEPOWFUECM-CQSZACIVSA-N -1 1 382.424 1.948 20 0 GDADMM COc1ccccc1C[C@H]1CCCN1C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000826219770 947651439 /nfs/dbraw/zinc/65/14/39/947651439.db2.gz QAGPLEPOWFUECM-CQSZACIVSA-N -1 1 382.424 1.948 20 0 GDADMM C[C@H](C(=O)N1CCC(N(C)c2cncc(-c3nnn[n-]3)n2)CC1)C(F)(F)F ZINC001573619777 947670369 /nfs/dbraw/zinc/67/03/69/947670369.db2.gz XURWGIZDHLDISV-SECBINFHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@H](C(=O)N1CCC(N(C)c2cncc(-c3nn[n-]n3)n2)CC1)C(F)(F)F ZINC001573619777 947670377 /nfs/dbraw/zinc/67/03/77/947670377.db2.gz XURWGIZDHLDISV-SECBINFHSA-N -1 1 384.366 1.282 20 0 GDADMM C/C(=C/C(=O)N1CCC(CN(C)c2cnc(-c3nnn[n-]3)cn2)CC1)C1CC1 ZINC001573361686 947696063 /nfs/dbraw/zinc/69/60/63/947696063.db2.gz DTEBEOCPSZMOQJ-LCYFTJDESA-N -1 1 382.472 1.688 20 0 GDADMM C/C(=C/C(=O)N1CCC(CN(C)c2cnc(-c3nn[n-]n3)cn2)CC1)C1CC1 ZINC001573361686 947696069 /nfs/dbraw/zinc/69/60/69/947696069.db2.gz DTEBEOCPSZMOQJ-LCYFTJDESA-N -1 1 382.472 1.688 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1F ZINC001573626547 947709580 /nfs/dbraw/zinc/70/95/80/947709580.db2.gz VDMZHBOQOMVBCR-NEPJUHHUSA-N -1 1 382.403 1.612 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1F ZINC001573626547 947709587 /nfs/dbraw/zinc/70/95/87/947709587.db2.gz VDMZHBOQOMVBCR-NEPJUHHUSA-N -1 1 382.403 1.612 20 0 GDADMM C/C(=C/C(=O)N[C@]12CCC[C@@H]1N(c1nccnc1-c1nnn[n-]1)CC2)C1CC1 ZINC001573363443 947713887 /nfs/dbraw/zinc/71/38/87/947713887.db2.gz NYKMCBVCXLAEDQ-IOMGTLSNSA-N -1 1 380.456 1.631 20 0 GDADMM C/C(=C/C(=O)N[C@]12CCC[C@@H]1N(c1nccnc1-c1nn[n-]n1)CC2)C1CC1 ZINC001573363443 947713896 /nfs/dbraw/zinc/71/38/96/947713896.db2.gz NYKMCBVCXLAEDQ-IOMGTLSNSA-N -1 1 380.456 1.631 20 0 GDADMM C/C(=C/C(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@@]2(C)C1)C1CC1 ZINC001573364044 947718743 /nfs/dbraw/zinc/71/87/43/947718743.db2.gz PDHZEWFZUJIXGF-VCXUFJIASA-N -1 1 380.456 1.298 20 0 GDADMM C/C(=C/C(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@]2(C)C1)C1CC1 ZINC001573364044 947718746 /nfs/dbraw/zinc/71/87/46/947718746.db2.gz PDHZEWFZUJIXGF-VCXUFJIASA-N -1 1 380.456 1.298 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)c1ccsc1 ZINC001573627433 947725449 /nfs/dbraw/zinc/72/54/49/947725449.db2.gz BHOIHWMMDUEXEU-DGCLKSJQSA-N -1 1 384.469 1.347 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001573627537 947726560 /nfs/dbraw/zinc/72/65/60/947726560.db2.gz ACNUOPLSYXGEJZ-OLZOCXBDSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001573627537 947726566 /nfs/dbraw/zinc/72/65/66/947726566.db2.gz ACNUOPLSYXGEJZ-OLZOCXBDSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1)C1CCC1 ZINC001573627784 947733670 /nfs/dbraw/zinc/73/36/70/947733670.db2.gz CJTJJWAEHMRGDG-BFUOFWGJSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1)C1CCC1 ZINC001573627784 947733675 /nfs/dbraw/zinc/73/36/75/947733675.db2.gz CJTJJWAEHMRGDG-BFUOFWGJSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1)C1CCC1 ZINC001573627771 947733882 /nfs/dbraw/zinc/73/38/82/947733882.db2.gz BZOBPZJXCOOIJW-YUELXQCFSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1)C1CCC1 ZINC001573627771 947733891 /nfs/dbraw/zinc/73/38/91/947733891.db2.gz BZOBPZJXCOOIJW-YUELXQCFSA-N -1 1 382.472 1.663 20 0 GDADMM C/C(=C/C(=O)N[C@@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C12CCC2)C1CC1 ZINC001573366751 947744651 /nfs/dbraw/zinc/74/46/51/947744651.db2.gz XYJBRWYEJPFEMK-LNVAGALZSA-N -1 1 380.456 1.852 20 0 GDADMM C/C(=C/C(=O)N[C@@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C12CCC2)C1CC1 ZINC001573366751 947744660 /nfs/dbraw/zinc/74/46/60/947744660.db2.gz XYJBRWYEJPFEMK-LNVAGALZSA-N -1 1 380.456 1.852 20 0 GDADMM CC(=O)CCCC(=O)N1CCC([C@@H](C)Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001573367221 947755956 /nfs/dbraw/zinc/75/59/56/947755956.db2.gz AXUFHPANKCGRQJ-CYBMUJFWSA-N -1 1 386.460 1.455 20 0 GDADMM CC(=O)CCCC(=O)N1CCC([C@@H](C)Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001573367221 947755966 /nfs/dbraw/zinc/75/59/66/947755966.db2.gz AXUFHPANKCGRQJ-CYBMUJFWSA-N -1 1 386.460 1.455 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1)n1cccc1 ZINC001573628522 947758450 /nfs/dbraw/zinc/75/84/50/947758450.db2.gz MPEVUUNREBZEKZ-KBPBESRZSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1)n1cccc1 ZINC001573628522 947758453 /nfs/dbraw/zinc/75/84/53/947758453.db2.gz MPEVUUNREBZEKZ-KBPBESRZSA-N -1 1 381.444 1.512 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@H]([C@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573367392 947759359 /nfs/dbraw/zinc/75/93/59/947759359.db2.gz CJNUIWMTRLVLDH-KBPBESRZSA-N -1 1 386.460 1.373 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@H]([C@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573367392 947759365 /nfs/dbraw/zinc/75/93/65/947759365.db2.gz CJNUIWMTRLVLDH-KBPBESRZSA-N -1 1 386.460 1.373 20 0 GDADMM CC(=O)CCCC(=O)N1C[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C[C@H]1C ZINC001573367469 947760339 /nfs/dbraw/zinc/76/03/39/947760339.db2.gz CZYBWCPCWZUKEL-SKDRFNHKSA-N -1 1 377.474 1.792 20 0 GDADMM Cc1onc(CC(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)c1-c1nnn[n-]1 ZINC000826262980 947760858 /nfs/dbraw/zinc/76/08/58/947760858.db2.gz GMNMUVCUPZQKAH-UHFFFAOYSA-N -1 1 397.439 1.728 20 0 GDADMM Cc1onc(CC(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)c1-c1nn[n-]n1 ZINC000826262980 947760865 /nfs/dbraw/zinc/76/08/65/947760865.db2.gz GMNMUVCUPZQKAH-UHFFFAOYSA-N -1 1 397.439 1.728 20 0 GDADMM CC(=O)CCCC(=O)N(C)C[C@@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573367718 947762649 /nfs/dbraw/zinc/76/26/49/947762649.db2.gz GROOQOHRRWFWQI-MRVPVSSYSA-N -1 1 385.881 1.995 20 0 GDADMM C[C@H](C(=O)N1CCC[C@](CO)(Nc2ccc(-c3nnn[n-]3)nn2)C1)C(C)(C)C ZINC001573628740 947762932 /nfs/dbraw/zinc/76/29/32/947762932.db2.gz JQXLFUHSJJGRKW-XIKOKIGWSA-N -1 1 388.476 1.104 20 0 GDADMM C[C@H](C(=O)N1CCC[C@](CO)(Nc2ccc(-c3nn[n-]n3)nn2)C1)C(C)(C)C ZINC001573628740 947762938 /nfs/dbraw/zinc/76/29/38/947762938.db2.gz JQXLFUHSJJGRKW-XIKOKIGWSA-N -1 1 388.476 1.104 20 0 GDADMM CC(=O)CCCC(=O)N1C[C@H](C)[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573369270 947772775 /nfs/dbraw/zinc/77/27/75/947772775.db2.gz SNQUFURSMXKSIO-FZMZJTMJSA-N -1 1 386.460 1.231 20 0 GDADMM CC(=O)CCCC(=O)N1C[C@H](C)[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573369270 947772784 /nfs/dbraw/zinc/77/27/84/947772784.db2.gz SNQUFURSMXKSIO-FZMZJTMJSA-N -1 1 386.460 1.231 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(N3CCOCC3)cc2C)c1-c1nnn[n-]1 ZINC000826269202 947777400 /nfs/dbraw/zinc/77/74/00/947777400.db2.gz DHZMEFVSALZUBJ-UHFFFAOYSA-N -1 1 383.412 1.489 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(N3CCOCC3)cc2C)c1-c1nn[n-]n1 ZINC000826269202 947777406 /nfs/dbraw/zinc/77/74/06/947777406.db2.gz DHZMEFVSALZUBJ-UHFFFAOYSA-N -1 1 383.412 1.489 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001573629484 947780113 /nfs/dbraw/zinc/78/01/13/947780113.db2.gz ULNRAMMGHCPRSS-VHSXEESVSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001573629484 947780115 /nfs/dbraw/zinc/78/01/15/947780115.db2.gz ULNRAMMGHCPRSS-VHSXEESVSA-N -1 1 384.366 1.648 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573373378 947792673 /nfs/dbraw/zinc/79/26/73/947792673.db2.gz IKAACGHUXURIRG-VIFPVBQESA-N -1 1 383.865 1.749 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573373378 947792681 /nfs/dbraw/zinc/79/26/81/947792681.db2.gz IKAACGHUXURIRG-VIFPVBQESA-N -1 1 383.865 1.749 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1)C(C)(F)F ZINC001573631227 947798987 /nfs/dbraw/zinc/79/89/87/947798987.db2.gz UQUHWLIAKVWLPM-APPDUMDISA-N -1 1 392.414 1.377 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1)C(C)(F)F ZINC001573631227 947798995 /nfs/dbraw/zinc/79/89/95/947798995.db2.gz UQUHWLIAKVWLPM-APPDUMDISA-N -1 1 392.414 1.377 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573631465 947802837 /nfs/dbraw/zinc/80/28/37/947802837.db2.gz VIDIIDPWSHOJTE-ZFWWWQNUSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](C(=O)N1CCCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1)C(C)(C)C ZINC001573637392 947812351 /nfs/dbraw/zinc/81/23/51/947812351.db2.gz BMTYALMCMIKMKJ-CHWSQXEVSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@H](C(=O)N1CCCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1)C(C)(C)C ZINC001573637392 947812355 /nfs/dbraw/zinc/81/23/55/947812355.db2.gz BMTYALMCMIKMKJ-CHWSQXEVSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cccs1 ZINC001573637418 947813605 /nfs/dbraw/zinc/81/36/05/947813605.db2.gz CEVODGQKCMTOPV-NWDGAFQWSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cccs1 ZINC001573637418 947813611 /nfs/dbraw/zinc/81/36/11/947813611.db2.gz CEVODGQKCMTOPV-NWDGAFQWSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1)n1cccc1 ZINC001573637489 947814297 /nfs/dbraw/zinc/81/42/97/947814297.db2.gz GHSMHCDECSEIBX-KBPBESRZSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1)n1cccc1 ZINC001573637489 947814304 /nfs/dbraw/zinc/81/43/04/947814304.db2.gz GHSMHCDECSEIBX-KBPBESRZSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@H](C(=O)N1CCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1)C1CCCC1 ZINC001573640055 947849714 /nfs/dbraw/zinc/84/97/14/947849714.db2.gz FEPQEOXOFPYKTR-GXTWGEPZSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H](C(=O)N1CCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1)C1CCCC1 ZINC001573640055 947849720 /nfs/dbraw/zinc/84/97/20/947849720.db2.gz FEPQEOXOFPYKTR-GXTWGEPZSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](C(=O)N1CCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1)C1CCCC1 ZINC001573640067 947850644 /nfs/dbraw/zinc/85/06/44/947850644.db2.gz FEPQEOXOFPYKTR-TZMCWYRMSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](C(=O)N1CCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1)C1CCCC1 ZINC001573640067 947850652 /nfs/dbraw/zinc/85/06/52/947850652.db2.gz FEPQEOXOFPYKTR-TZMCWYRMSA-N -1 1 386.460 1.122 20 0 GDADMM CC(=O)CCCC(=O)N[C@@](C)(CNc1nc(C)cc(-c2nnn[n-]2)n1)C1CC1 ZINC001573378117 947855164 /nfs/dbraw/zinc/85/51/64/947855164.db2.gz WEHUBABIINPZGV-SFHVURJKSA-N -1 1 386.460 1.421 20 0 GDADMM CC(=O)CCCC(=O)N[C@@](C)(CNc1nc(C)cc(-c2nn[n-]n2)n1)C1CC1 ZINC001573378117 947855171 /nfs/dbraw/zinc/85/51/71/947855171.db2.gz WEHUBABIINPZGV-SFHVURJKSA-N -1 1 386.460 1.421 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccsc1 ZINC001573647043 947882045 /nfs/dbraw/zinc/88/20/45/947882045.db2.gz AYJJHJZWWBTGKZ-JTNHKYCSSA-N -1 1 384.469 1.781 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccsc1 ZINC001573647043 947882055 /nfs/dbraw/zinc/88/20/55/947882055.db2.gz AYJJHJZWWBTGKZ-JTNHKYCSSA-N -1 1 384.469 1.781 20 0 GDADMM C[C@@H](C(=O)N[C@](C)(CNc1cncc(-c2nnn[n-]2)n1)C1CC1)n1cccc1 ZINC001573652582 947942341 /nfs/dbraw/zinc/94/23/41/947942341.db2.gz DWGVHKKIMMOGNO-KPZWWZAWSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](C(=O)N[C@](C)(CNc1cncc(-c2nn[n-]n2)n1)C1CC1)n1cccc1 ZINC001573652582 947942346 /nfs/dbraw/zinc/94/23/46/947942346.db2.gz DWGVHKKIMMOGNO-KPZWWZAWSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C(C)(C)C)n1cccc1 ZINC001573652651 947945285 /nfs/dbraw/zinc/94/52/85/947945285.db2.gz FTSBWTOBDXGROP-TZMCWYRMSA-N -1 1 383.460 1.662 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C(C)(C)C)n1cccc1 ZINC001573652651 947945289 /nfs/dbraw/zinc/94/52/89/947945289.db2.gz FTSBWTOBDXGROP-TZMCWYRMSA-N -1 1 383.460 1.662 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CCCCC1)C1CC1 ZINC001573655225 947976604 /nfs/dbraw/zinc/97/66/04/947976604.db2.gz WNUCFHDREUIIRW-IUODEOHRSA-N -1 1 384.488 1.602 20 0 GDADMM Cc1onc(CC(=O)N(C)Cc2cnn(-c3ccccc3)c2)c1-c1nnn[n-]1 ZINC000826343173 947989013 /nfs/dbraw/zinc/98/90/13/947989013.db2.gz PHDQXTQTBYDWEE-UHFFFAOYSA-N -1 1 378.396 1.550 20 0 GDADMM Cc1onc(CC(=O)N(C)Cc2cnn(-c3ccccc3)c2)c1-c1nn[n-]n1 ZINC000826343173 947989021 /nfs/dbraw/zinc/98/90/21/947989021.db2.gz PHDQXTQTBYDWEE-UHFFFAOYSA-N -1 1 378.396 1.550 20 0 GDADMM Cc1onc(CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)c1-c1nnn[n-]1 ZINC000826343906 947997586 /nfs/dbraw/zinc/99/75/86/947997586.db2.gz QLQNGXFBMWYANE-UHFFFAOYSA-N -1 1 395.423 1.127 20 0 GDADMM Cc1onc(CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)c1-c1nn[n-]n1 ZINC000826343906 947997593 /nfs/dbraw/zinc/99/75/93/947997593.db2.gz QLQNGXFBMWYANE-UHFFFAOYSA-N -1 1 395.423 1.127 20 0 GDADMM C[C@H](C(=O)N[C@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccsc1 ZINC001573657672 948002123 /nfs/dbraw/zinc/00/21/23/948002123.db2.gz OLSYGIBASRQRTD-APPDUMDISA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)N[C@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccsc1 ZINC001573657672 948002131 /nfs/dbraw/zinc/00/21/31/948002131.db2.gz OLSYGIBASRQRTD-APPDUMDISA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)N[C@@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cccs1 ZINC001573658603 948010306 /nfs/dbraw/zinc/01/03/06/948010306.db2.gz SOKUFYKARFXBQC-DIFFPNOSSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)N[C@@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cccs1 ZINC001573658603 948010312 /nfs/dbraw/zinc/01/03/12/948010312.db2.gz SOKUFYKARFXBQC-DIFFPNOSSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)N[C@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccsc1 ZINC001573659118 948013603 /nfs/dbraw/zinc/01/36/03/948013603.db2.gz VNRPSNWMPUNVLD-APPDUMDISA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)N[C@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccsc1 ZINC001573659118 948013608 /nfs/dbraw/zinc/01/36/08/948013608.db2.gz VNRPSNWMPUNVLD-APPDUMDISA-N -1 1 384.469 1.607 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)c1-c1nnn[n-]1 ZINC000826344731 948015163 /nfs/dbraw/zinc/01/51/63/948015163.db2.gz QRMHJUAQPIXUKA-ZDUSSCGKSA-N -1 1 382.380 1.798 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)c1-c1nn[n-]n1 ZINC000826344731 948015169 /nfs/dbraw/zinc/01/51/69/948015169.db2.gz QRMHJUAQPIXUKA-ZDUSSCGKSA-N -1 1 382.380 1.798 20 0 GDADMM Cc1onc(CC(=O)N2CCCN(C(=O)c3ccccc3)CC2)c1-c1nnn[n-]1 ZINC000826345036 948018070 /nfs/dbraw/zinc/01/80/70/948018070.db2.gz ZYKVGFOIBCMSMQ-UHFFFAOYSA-N -1 1 395.423 1.080 20 0 GDADMM Cc1onc(CC(=O)N2CCCN(C(=O)c3ccccc3)CC2)c1-c1nn[n-]n1 ZINC000826345036 948018077 /nfs/dbraw/zinc/01/80/77/948018077.db2.gz ZYKVGFOIBCMSMQ-UHFFFAOYSA-N -1 1 395.423 1.080 20 0 GDADMM C[C@@H](C(=O)NC1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C(C)(F)F ZINC001573660037 948018208 /nfs/dbraw/zinc/01/82/08/948018208.db2.gz XBRCURGCWBJCCM-JTQLQIEISA-N -1 1 380.403 1.423 20 0 GDADMM Cc1onc(CC(=O)N[C@H](C)c2noc(Cc3ccccc3)n2)c1-c1nnn[n-]1 ZINC000826345314 948023091 /nfs/dbraw/zinc/02/30/91/948023091.db2.gz ISRNYBCMPFWBOG-SNVBAGLBSA-N -1 1 394.395 1.557 20 0 GDADMM Cc1onc(CC(=O)N[C@H](C)c2noc(Cc3ccccc3)n2)c1-c1nn[n-]n1 ZINC000826345314 948023097 /nfs/dbraw/zinc/02/30/97/948023097.db2.gz ISRNYBCMPFWBOG-SNVBAGLBSA-N -1 1 394.395 1.557 20 0 GDADMM C[C@@H](C(=O)NC1(CNc2cncc(-c3nnn[n-]3)n2)CCCC1)C(F)(F)F ZINC001573662425 948027891 /nfs/dbraw/zinc/02/78/91/948027891.db2.gz DUFVSLMXKKTLFI-VIFPVBQESA-N -1 1 384.366 1.696 20 0 GDADMM C[C@@H](C(=O)NC1(CNc2cncc(-c3nn[n-]n3)n2)CCCC1)C(F)(F)F ZINC001573662425 948027899 /nfs/dbraw/zinc/02/78/99/948027899.db2.gz DUFVSLMXKKTLFI-VIFPVBQESA-N -1 1 384.366 1.696 20 0 GDADMM C[C@H](C(=O)N[C@@]12CCC[C@@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2)C(C)(F)F ZINC001573663065 948032931 /nfs/dbraw/zinc/03/29/31/948032931.db2.gz IQBWIAUWGPPGKE-YOIRWDDOSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H](C(=O)N[C@@]12CCC[C@@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2)C(C)(F)F ZINC001573663065 948032940 /nfs/dbraw/zinc/03/29/40/948032940.db2.gz IQBWIAUWGPPGKE-YOIRWDDOSA-N -1 1 392.414 1.566 20 0 GDADMM Cc1onc(CC(=O)N[C@H](C)c2noc(-c3ccccc3)n2)c1-c1nnn[n-]1 ZINC000826345951 948033443 /nfs/dbraw/zinc/03/34/43/948033443.db2.gz YVSVJJYUVAFSGQ-SECBINFHSA-N -1 1 380.368 1.633 20 0 GDADMM Cc1onc(CC(=O)N[C@H](C)c2noc(-c3ccccc3)n2)c1-c1nn[n-]n1 ZINC000826345951 948033449 /nfs/dbraw/zinc/03/34/49/948033449.db2.gz YVSVJJYUVAFSGQ-SECBINFHSA-N -1 1 380.368 1.633 20 0 GDADMM Cc1onc(CC(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)c1-c1nnn[n-]1 ZINC000826346164 948035727 /nfs/dbraw/zinc/03/57/27/948035727.db2.gz FELPMVLJAMCBGY-AWEZNQCLSA-N -1 1 395.423 1.013 20 0 GDADMM Cc1onc(CC(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)c1-c1nn[n-]n1 ZINC000826346164 948035736 /nfs/dbraw/zinc/03/57/36/948035736.db2.gz FELPMVLJAMCBGY-AWEZNQCLSA-N -1 1 395.423 1.013 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nn1)CC2)C(C)(C)C ZINC001573663751 948042119 /nfs/dbraw/zinc/04/21/19/948042119.db2.gz PIMFACXBLCJRPM-GXTWGEPZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nn1)CC2)C(C)(C)C ZINC001573663751 948042128 /nfs/dbraw/zinc/04/21/28/948042128.db2.gz PIMFACXBLCJRPM-GXTWGEPZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1)C1CCC1 ZINC001573664143 948048498 /nfs/dbraw/zinc/04/84/98/948048498.db2.gz CFHKLVLSFDTUBV-PRTUASRFSA-N -1 1 382.472 1.709 20 0 GDADMM C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1)C1CCC1 ZINC001573664143 948048503 /nfs/dbraw/zinc/04/85/03/948048503.db2.gz CFHKLVLSFDTUBV-PRTUASRFSA-N -1 1 382.472 1.709 20 0 GDADMM Cc1nc2ccccc2n1CCCNC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000826347141 948049959 /nfs/dbraw/zinc/04/99/59/948049959.db2.gz GJKWKIQXSQINAD-UHFFFAOYSA-N -1 1 380.412 1.570 20 0 GDADMM Cc1nc2ccccc2n1CCCNC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000826347141 948049969 /nfs/dbraw/zinc/04/99/69/948049969.db2.gz GJKWKIQXSQINAD-UHFFFAOYSA-N -1 1 380.412 1.570 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1)c1ccco1 ZINC001573664541 948056104 /nfs/dbraw/zinc/05/61/04/948056104.db2.gz FPJOPEFBGKFHAL-CHWSQXEVSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1)c1ccco1 ZINC001573664541 948056112 /nfs/dbraw/zinc/05/61/12/948056112.db2.gz FPJOPEFBGKFHAL-CHWSQXEVSA-N -1 1 382.428 1.529 20 0 GDADMM Cc1onc(CC(=O)NCc2ccccc2OCC(F)(F)F)c1-c1nnn[n-]1 ZINC000826347826 948061784 /nfs/dbraw/zinc/06/17/84/948061784.db2.gz HTZUCNOGEGWQJR-UHFFFAOYSA-N -1 1 396.329 1.963 20 0 GDADMM Cc1onc(CC(=O)NCc2ccccc2OCC(F)(F)F)c1-c1nn[n-]n1 ZINC000826347826 948061794 /nfs/dbraw/zinc/06/17/94/948061794.db2.gz HTZUCNOGEGWQJR-UHFFFAOYSA-N -1 1 396.329 1.963 20 0 GDADMM Cc1onc(CC(=O)NCc2ccc(N3CCC(C)CC3)nc2)c1-c1nn[n-]n1 ZINC000826347884 948062299 /nfs/dbraw/zinc/06/22/99/948062299.db2.gz KJGURAVQIQEMRG-UHFFFAOYSA-N -1 1 396.455 1.653 20 0 GDADMM Cc1onc(CC(=O)NCCSCc2ccccc2F)c1-c1nnn[n-]1 ZINC000826348107 948065619 /nfs/dbraw/zinc/06/56/19/948065619.db2.gz UZAPUDPWMPADDP-UHFFFAOYSA-N -1 1 376.417 1.894 20 0 GDADMM Cc1onc(CC(=O)NCCSCc2ccccc2F)c1-c1nn[n-]n1 ZINC000826348107 948065624 /nfs/dbraw/zinc/06/56/24/948065624.db2.gz UZAPUDPWMPADDP-UHFFFAOYSA-N -1 1 376.417 1.894 20 0 GDADMM Cc1onc(CC(=O)NCCc2csc(N3CCCC3)n2)c1-c1nnn[n-]1 ZINC000826348053 948065964 /nfs/dbraw/zinc/06/59/64/948065964.db2.gz RKBKYYDWPCMIDP-UHFFFAOYSA-N -1 1 388.457 1.121 20 0 GDADMM Cc1onc(CC(=O)NCCc2csc(N3CCCC3)n2)c1-c1nn[n-]n1 ZINC000826348053 948065973 /nfs/dbraw/zinc/06/59/73/948065973.db2.gz RKBKYYDWPCMIDP-UHFFFAOYSA-N -1 1 388.457 1.121 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)c1cccs1 ZINC001573665451 948073237 /nfs/dbraw/zinc/07/32/37/948073237.db2.gz KWQRTXNGUWQARJ-VXGBXAGGSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)c1cccs1 ZINC001573665451 948073247 /nfs/dbraw/zinc/07/32/47/948073247.db2.gz KWQRTXNGUWQARJ-VXGBXAGGSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C(C)(F)F ZINC001573665524 948074336 /nfs/dbraw/zinc/07/43/36/948074336.db2.gz LYCPAWGQQPMPJN-GHMZBOCLSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H](C(=O)NC1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1)n1cccc1 ZINC001573665490 948074638 /nfs/dbraw/zinc/07/46/38/948074638.db2.gz LPFXULJEOXMMJG-IYXRBSQSSA-N -1 1 381.444 1.559 20 0 GDADMM C[C@H](C(=O)NC1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1)n1cccc1 ZINC001573665490 948074649 /nfs/dbraw/zinc/07/46/49/948074649.db2.gz LPFXULJEOXMMJG-IYXRBSQSSA-N -1 1 381.444 1.559 20 0 GDADMM C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1)C(C)(F)F ZINC001573665734 948076954 /nfs/dbraw/zinc/07/69/54/948076954.db2.gz MPEUUJPHWHVDSM-YEJSDXFRSA-N -1 1 392.414 1.564 20 0 GDADMM C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001573665734 948076965 /nfs/dbraw/zinc/07/69/65/948076965.db2.gz MPEUUJPHWHVDSM-YEJSDXFRSA-N -1 1 392.414 1.564 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)n1cccc1 ZINC001573666050 948082312 /nfs/dbraw/zinc/08/23/12/948082312.db2.gz PIJGRRSXSSKXLR-KBPBESRZSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)n1cccc1 ZINC001573666050 948082321 /nfs/dbraw/zinc/08/23/21/948082321.db2.gz PIJGRRSXSSKXLR-KBPBESRZSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)c1ccco1 ZINC001573666865 948091546 /nfs/dbraw/zinc/09/15/46/948091546.db2.gz WXWPWNNZQQBSOV-OLZOCXBDSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)n1cccc1 ZINC001573667071 948093502 /nfs/dbraw/zinc/09/35/02/948093502.db2.gz XLUARLHMNVEQNE-ZIAGYGMSSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)n1cccc1 ZINC001573667071 948093511 /nfs/dbraw/zinc/09/35/11/948093511.db2.gz XLUARLHMNVEQNE-ZIAGYGMSSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C)C1CCC1 ZINC001573670270 948101253 /nfs/dbraw/zinc/10/12/53/948101253.db2.gz ALKXJBZWUZJBTL-WFASDCNBSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C)C1CCC1 ZINC001573670270 948101257 /nfs/dbraw/zinc/10/12/57/948101257.db2.gz ALKXJBZWUZJBTL-WFASDCNBSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C)C1CCC1 ZINC001573670267 948101564 /nfs/dbraw/zinc/10/15/64/948101564.db2.gz ALKXJBZWUZJBTL-SWLSCSKDSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C)C1CCC1 ZINC001573670267 948101571 /nfs/dbraw/zinc/10/15/71/948101571.db2.gz ALKXJBZWUZJBTL-SWLSCSKDSA-N -1 1 384.488 1.814 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)n1 ZINC000826357003 948111327 /nfs/dbraw/zinc/11/13/27/948111327.db2.gz NNUFIGKQXMMXFN-NSHDSACASA-N -1 1 387.835 1.654 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)n1 ZINC000826357003 948111333 /nfs/dbraw/zinc/11/13/33/948111333.db2.gz NNUFIGKQXMMXFN-NSHDSACASA-N -1 1 387.835 1.654 20 0 GDADMM CC(=O)N(CCc1ccccc1)CC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001573415580 948112737 /nfs/dbraw/zinc/11/27/37/948112737.db2.gz YKPFEKZZYQBKQG-UHFFFAOYSA-N -1 1 384.465 1.636 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)CC(C)(C)C1)C1CC1 ZINC001573675346 948121547 /nfs/dbraw/zinc/12/15/47/948121547.db2.gz PSQWPUWWUMWROK-GXTWGEPZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)CC(C)(C)C1)C1CC1 ZINC001573675346 948121551 /nfs/dbraw/zinc/12/15/51/948121551.db2.gz PSQWPUWWUMWROK-GXTWGEPZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](CNC(=O)[C@@H](C)c1ccccc1F)N(C)c1nccnc1-c1nnn[n-]1 ZINC001573679634 948164471 /nfs/dbraw/zinc/16/44/71/948164471.db2.gz MFZUKBIFNFCYES-RYUDHWBXSA-N -1 1 384.419 1.540 20 0 GDADMM C[C@@H](CNC(=O)[C@@H](C)c1ccccc1F)N(C)c1nccnc1-c1nn[n-]n1 ZINC001573679634 948164477 /nfs/dbraw/zinc/16/44/77/948164477.db2.gz MFZUKBIFNFCYES-RYUDHWBXSA-N -1 1 384.419 1.540 20 0 GDADMM CC(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573428992 948170216 /nfs/dbraw/zinc/17/02/16/948170216.db2.gz FQCGKFBERQBOMP-NAKRPEOUSA-N -1 1 379.877 1.670 20 0 GDADMM CC(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573428992 948170222 /nfs/dbraw/zinc/17/02/22/948170222.db2.gz FQCGKFBERQBOMP-NAKRPEOUSA-N -1 1 379.877 1.670 20 0 GDADMM C[C@@H](C(=O)NC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1)c1cccs1 ZINC001573680311 948177390 /nfs/dbraw/zinc/17/73/90/948177390.db2.gz MXRKRXUEIYILKS-ZYHUDNBSSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)NC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1)c1cccs1 ZINC001573680311 948177399 /nfs/dbraw/zinc/17/73/99/948177399.db2.gz MXRKRXUEIYILKS-ZYHUDNBSSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)NC[C@H](CO)Nc1nc(Cl)c(-c2nnn[n-]2)s1)C1CCC1 ZINC001573680436 948180392 /nfs/dbraw/zinc/18/03/92/948180392.db2.gz NSIXMEXAYOUCRQ-VXNVDRBHSA-N -1 1 385.881 1.302 20 0 GDADMM C[C@@H](C(=O)NC[C@H](CO)Nc1nc(Cl)c(-c2nn[n-]n2)s1)C1CCC1 ZINC001573680436 948180402 /nfs/dbraw/zinc/18/04/02/948180402.db2.gz NSIXMEXAYOUCRQ-VXNVDRBHSA-N -1 1 385.881 1.302 20 0 GDADMM C[C@@H](C(=O)NC[C@@H](O)CNc1nc(-c2nn[n-]n2)c(Cl)s1)C1CCC1 ZINC001573690619 948227342 /nfs/dbraw/zinc/22/73/42/948227342.db2.gz FKRCGBRFJWMZRQ-VXNVDRBHSA-N -1 1 385.881 1.302 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CC1)c1ccccc1F ZINC001573690739 948228203 /nfs/dbraw/zinc/22/82/03/948228203.db2.gz ANGSULXNKXALJH-NSHDSACASA-N -1 1 382.403 1.660 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CC1)c1ccccc1F ZINC001573690739 948228212 /nfs/dbraw/zinc/22/82/12/948228212.db2.gz ANGSULXNKXALJH-NSHDSACASA-N -1 1 382.403 1.660 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCCC1)n1cccc1 ZINC001573690766 948230049 /nfs/dbraw/zinc/23/00/49/948230049.db2.gz AYWKOYRAFPHCAM-ZDUSSCGKSA-N -1 1 381.444 1.560 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCCC1)n1cccc1 ZINC001573690766 948230057 /nfs/dbraw/zinc/23/00/57/948230057.db2.gz AYWKOYRAFPHCAM-ZDUSSCGKSA-N -1 1 381.444 1.560 20 0 GDADMM C[C@@H](C(=O)NC[C@@]1(C)CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573691505 948244116 /nfs/dbraw/zinc/24/41/16/948244116.db2.gz JKKYKFFMFKVGJT-BFUOFWGJSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NCC1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C1CCC1 ZINC001573695510 948304952 /nfs/dbraw/zinc/30/49/52/948304952.db2.gz XNILFWNYAMWZGG-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NCC1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C1CCC1 ZINC001573695510 948304962 /nfs/dbraw/zinc/30/49/62/948304962.db2.gz XNILFWNYAMWZGG-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)c1ccsc1 ZINC001573702311 948345587 /nfs/dbraw/zinc/34/55/87/948345587.db2.gz DSTKMBUXTJYSMF-AAEUAGOBSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCC(C)(C)CN1c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573702914 948351924 /nfs/dbraw/zinc/35/19/24/948351924.db2.gz HNMIGZFECQVYQN-GXTWGEPZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C(F)(F)F ZINC001573705408 948399916 /nfs/dbraw/zinc/39/99/16/948399916.db2.gz HRIDCYHJBYEZNF-SECBINFHSA-N -1 1 384.366 1.188 20 0 GDADMM O=S(=O)(NC[C@@H]1COC2(CCCCC2)O1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826490806 948404613 /nfs/dbraw/zinc/40/46/13/948404613.db2.gz ICXWUDNTLJNSAH-LLVKDONJSA-N -1 1 397.432 1.360 20 0 GDADMM O=S(=O)(NC[C@@H]1COC2(CCCCC2)O1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826490806 948404620 /nfs/dbraw/zinc/40/46/20/948404620.db2.gz ICXWUDNTLJNSAH-LLVKDONJSA-N -1 1 397.432 1.360 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccsc1 ZINC001573706558 948421379 /nfs/dbraw/zinc/42/13/79/948421379.db2.gz LRVLDWCUFBWATM-VXGBXAGGSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccsc1 ZINC001573706558 948421387 /nfs/dbraw/zinc/42/13/87/948421387.db2.gz LRVLDWCUFBWATM-VXGBXAGGSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@H](C(=O)NCC1CCN(c2nccnc2-c2nnn[n-]2)CC1)C1CCCC1 ZINC001573707532 948434889 /nfs/dbraw/zinc/43/48/89/948434889.db2.gz PUTKMMSQACXGNV-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NCC1CCN(c2nccnc2-c2nn[n-]n2)CC1)C1CCCC1 ZINC001573707532 948434894 /nfs/dbraw/zinc/43/48/94/948434894.db2.gz PUTKMMSQACXGNV-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1)C1CC1 ZINC001573708137 948445381 /nfs/dbraw/zinc/44/53/81/948445381.db2.gz RWJRGVADDNICGA-BDAKNGLRSA-N -1 1 381.893 1.965 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1)C1CC1 ZINC001573708137 948445387 /nfs/dbraw/zinc/44/53/87/948445387.db2.gz RWJRGVADDNICGA-BDAKNGLRSA-N -1 1 381.893 1.965 20 0 GDADMM C[C@H](C(=O)NCC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C)C1CCC1 ZINC001573715950 948495556 /nfs/dbraw/zinc/49/55/56/948495556.db2.gz BICYATXZCUXRCI-VNHYZAJKSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@H](C(=O)NCC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C)C1CCC1 ZINC001573715950 948495559 /nfs/dbraw/zinc/49/55/59/948495559.db2.gz BICYATXZCUXRCI-VNHYZAJKSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@@H](C(=O)NCC[C@H](C)Nc1cncc(-c2nnn[n-]2)n1)c1cccc(F)c1 ZINC001573716239 948496488 /nfs/dbraw/zinc/49/64/88/948496488.db2.gz DKGOZEQGNZMBKU-NWDGAFQWSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@@H](C(=O)NCC[C@H](C)Nc1cncc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001573716239 948496492 /nfs/dbraw/zinc/49/64/92/948496492.db2.gz DKGOZEQGNZMBKU-NWDGAFQWSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@@H](C(=O)NCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1)c1ccsc1 ZINC001573720259 948532924 /nfs/dbraw/zinc/53/29/24/948532924.db2.gz QGTYILMMIGUIQT-LLVKDONJSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)NCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1)c1ccsc1 ZINC001573720259 948532928 /nfs/dbraw/zinc/53/29/28/948532928.db2.gz QGTYILMMIGUIQT-LLVKDONJSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C)C(F)(F)F ZINC001573725986 948545960 /nfs/dbraw/zinc/54/59/60/948545960.db2.gz DZDHPABWDMORDY-OPRDCNLKSA-N -1 1 384.366 1.044 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C)C(F)(F)F ZINC001573725986 948545965 /nfs/dbraw/zinc/54/59/65/948545965.db2.gz DZDHPABWDMORDY-OPRDCNLKSA-N -1 1 384.366 1.044 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001573729885 948573556 /nfs/dbraw/zinc/57/35/56/948573556.db2.gz VVAQRKVXLAWAGA-FRRDWIJNSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001573729885 948573563 /nfs/dbraw/zinc/57/35/63/948573563.db2.gz VVAQRKVXLAWAGA-FRRDWIJNSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cccnc1 ZINC001573730936 948586173 /nfs/dbraw/zinc/58/61/73/948586173.db2.gz STNHJEMMOJYMMJ-YRGRVCCFSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cccnc1 ZINC001573730936 948586179 /nfs/dbraw/zinc/58/61/79/948586179.db2.gz STNHJEMMOJYMMJ-YRGRVCCFSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)c1ccc(Cl)s1 ZINC001573732430 948602916 /nfs/dbraw/zinc/60/29/16/948602916.db2.gz PEYLGFQYOWDHFE-DTWKUNHWSA-N -1 1 392.876 1.514 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H](C)c1c(F)cccc1F ZINC001573732709 948607933 /nfs/dbraw/zinc/60/79/33/948607933.db2.gz VWHHNGKWCWAXGL-UWVGGRQHSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H](C)c1c(F)cccc1F ZINC001573732709 948607940 /nfs/dbraw/zinc/60/79/40/948607940.db2.gz VWHHNGKWCWAXGL-UWVGGRQHSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1)C(C)(F)F ZINC001573739194 948617683 /nfs/dbraw/zinc/61/76/83/948617683.db2.gz APJLRCQQDGUCQJ-SPFNVWMYSA-N -1 1 378.387 1.174 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1)C(C)(F)F ZINC001573739194 948617684 /nfs/dbraw/zinc/61/76/84/948617684.db2.gz APJLRCQQDGUCQJ-SPFNVWMYSA-N -1 1 378.387 1.174 20 0 GDADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC001573740289 948630408 /nfs/dbraw/zinc/63/04/08/948630408.db2.gz MZFHVERNTCRIJV-UNJBNNCHSA-N -1 1 380.412 1.279 20 0 GDADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC001573740289 948630411 /nfs/dbraw/zinc/63/04/11/948630411.db2.gz MZFHVERNTCRIJV-UNJBNNCHSA-N -1 1 380.412 1.279 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)C[C@H]1C)C1CC1 ZINC001573740876 948645133 /nfs/dbraw/zinc/64/51/33/948645133.db2.gz UQXZTABURVMMRT-NQMVMOMDSA-N -1 1 381.893 1.964 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)C[C@H]1C)C1CC1 ZINC001573740876 948645138 /nfs/dbraw/zinc/64/51/38/948645138.db2.gz UQXZTABURVMMRT-NQMVMOMDSA-N -1 1 381.893 1.964 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573751827 948704493 /nfs/dbraw/zinc/70/44/93/948704493.db2.gz DYMWTABYRKFFHJ-AEIGPULVSA-N -1 1 382.472 1.709 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573751827 948704495 /nfs/dbraw/zinc/70/44/95/948704495.db2.gz DYMWTABYRKFFHJ-AEIGPULVSA-N -1 1 382.472 1.709 20 0 GDADMM C[C@H]([C@H](C)C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)C(C)(C)C ZINC001573751884 948707662 /nfs/dbraw/zinc/70/76/62/948707662.db2.gz GMVYLYAOGLAMAT-IPNGBCKKSA-N -1 1 384.488 1.526 20 0 GDADMM C[C@H]([C@H](C)C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)C(C)(C)C ZINC001573751884 948707670 /nfs/dbraw/zinc/70/76/70/948707670.db2.gz GMVYLYAOGLAMAT-IPNGBCKKSA-N -1 1 384.488 1.526 20 0 GDADMM CC(C)c1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)CC2)cc1 ZINC001574415989 948745035 /nfs/dbraw/zinc/74/50/35/948745035.db2.gz NLWOJOVIZUIJKZ-UHFFFAOYSA-N -1 1 378.440 1.743 20 0 GDADMM CC(C)c1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)CC2)cc1 ZINC001574415989 948745045 /nfs/dbraw/zinc/74/50/45/948745045.db2.gz NLWOJOVIZUIJKZ-UHFFFAOYSA-N -1 1 378.440 1.743 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575222080 948751100 /nfs/dbraw/zinc/75/11/00/948751100.db2.gz DRFXHCMOWAMSLV-JTQLQIEISA-N -1 1 378.387 1.495 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575222080 948751108 /nfs/dbraw/zinc/75/11/08/948751108.db2.gz DRFXHCMOWAMSLV-JTQLQIEISA-N -1 1 378.387 1.495 20 0 GDADMM C[C@@H](CNC(=O)CCc1cc(Cl)cs1)Nc1nccnc1-c1nnn[n-]1 ZINC001574914829 948757138 /nfs/dbraw/zinc/75/71/38/948757138.db2.gz NQSRZBWFZATKHV-VIFPVBQESA-N -1 1 392.876 1.921 20 0 GDADMM C[C@@H](CNC(=O)CCc1cc(Cl)cs1)Nc1nccnc1-c1nn[n-]n1 ZINC001574914829 948757151 /nfs/dbraw/zinc/75/71/51/948757151.db2.gz NQSRZBWFZATKHV-VIFPVBQESA-N -1 1 392.876 1.921 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)Cc1ccc2n[nH]cc2c1 ZINC001574678821 948758821 /nfs/dbraw/zinc/75/88/21/948758821.db2.gz JKZYUGXLXKEOSI-NSHDSACASA-N -1 1 392.427 1.082 20 0 GDADMM CC(C)c1cccc(C(=O)N(C)[C@@H](C)CNc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001574416779 948759991 /nfs/dbraw/zinc/75/99/91/948759991.db2.gz HMLVIXTUTIOBEJ-LBPRGKRZSA-N -1 1 381.444 1.748 20 0 GDADMM CC(C)c1cccc(C(=O)N(C)[C@@H](C)CNc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001574416779 948760003 /nfs/dbraw/zinc/76/00/03/948760003.db2.gz HMLVIXTUTIOBEJ-LBPRGKRZSA-N -1 1 381.444 1.748 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@@H]2CCCN2c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001575223281 948761398 /nfs/dbraw/zinc/76/13/98/948761398.db2.gz MQAVANJCJJULLO-JTQLQIEISA-N -1 1 378.387 1.177 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@@H]2CCCN2c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001575223281 948761410 /nfs/dbraw/zinc/76/14/10/948761410.db2.gz MQAVANJCJJULLO-JTQLQIEISA-N -1 1 378.387 1.177 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@@H](C)[C@H](C)Nc2nccnc2-c2nnn[n-]2)n1 ZINC001574416817 948763820 /nfs/dbraw/zinc/76/38/20/948763820.db2.gz JBHFYHBJQGYJJW-RYUDHWBXSA-N -1 1 381.444 1.794 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@@H](C)[C@H](C)Nc2nccnc2-c2nn[n-]n2)n1 ZINC001574416817 948763835 /nfs/dbraw/zinc/76/38/35/948763835.db2.gz JBHFYHBJQGYJJW-RYUDHWBXSA-N -1 1 381.444 1.794 20 0 GDADMM CC(F)(F)C1(C(=O)NC2CCC(Nc3cnc(-c4nnn[n-]4)cn3)CC2)CC1 ZINC001575223952 948774673 /nfs/dbraw/zinc/77/46/73/948774673.db2.gz QFIPGWYTFDTAHV-UHFFFAOYSA-N -1 1 392.414 1.931 20 0 GDADMM CC(F)(F)C1(C(=O)NC2CCC(Nc3cnc(-c4nn[n-]n4)cn3)CC2)CC1 ZINC001575223952 948774685 /nfs/dbraw/zinc/77/46/85/948774685.db2.gz QFIPGWYTFDTAHV-UHFFFAOYSA-N -1 1 392.414 1.931 20 0 GDADMM C[C@H](C(=O)Nc1cc(Cl)c2c(c1)OCCO2)n1cnc(-c2nn[n-]n2)n1 ZINC001573755583 948775464 /nfs/dbraw/zinc/77/54/64/948775464.db2.gz FPDIHYIMZBMCCV-SSDOTTSWSA-N -1 1 376.764 1.083 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575223994 948778728 /nfs/dbraw/zinc/77/87/28/948778728.db2.gz SFINBQBYGNVFLA-LLVKDONJSA-N -1 1 392.414 1.885 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575223994 948778743 /nfs/dbraw/zinc/77/87/43/948778743.db2.gz SFINBQBYGNVFLA-LLVKDONJSA-N -1 1 392.414 1.885 20 0 GDADMM CC(C)c1cccc(C(=O)NC[C@@H](C)N(C)c2cncc(-c3nnn[n-]3)n2)n1 ZINC001574418543 948780279 /nfs/dbraw/zinc/78/02/79/948780279.db2.gz XZZHTECSWKEZGG-GFCCVEGCSA-N -1 1 381.444 1.430 20 0 GDADMM CC(C)c1cccc(C(=O)NC[C@@H](C)N(C)c2cncc(-c3nn[n-]n3)n2)n1 ZINC001574418543 948780295 /nfs/dbraw/zinc/78/02/95/948780295.db2.gz XZZHTECSWKEZGG-GFCCVEGCSA-N -1 1 381.444 1.430 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CCC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001575224346 948783617 /nfs/dbraw/zinc/78/36/17/948783617.db2.gz UUXUGXQTWXAQLS-GHMZBOCLSA-N -1 1 392.414 1.931 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CCC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001575224346 948783630 /nfs/dbraw/zinc/78/36/30/948783630.db2.gz UUXUGXQTWXAQLS-GHMZBOCLSA-N -1 1 392.414 1.931 20 0 GDADMM CC(F)(F)CC(=O)N[C@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001575225082 948797496 /nfs/dbraw/zinc/79/74/96/948797496.db2.gz VUQMEOOVVKTZPI-NSHDSACASA-N -1 1 378.387 1.177 20 0 GDADMM CC(F)(F)CC(=O)N[C@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001575225082 948797512 /nfs/dbraw/zinc/79/75/12/948797512.db2.gz VUQMEOOVVKTZPI-NSHDSACASA-N -1 1 378.387 1.177 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@@]2(C1)CCCN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001575225438 948805300 /nfs/dbraw/zinc/80/53/00/948805300.db2.gz BTPCAEBKWUIQNH-KRWDZBQOSA-N -1 1 392.414 1.521 20 0 GDADMM CC(C)c1ccoc1C(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574421987 948828761 /nfs/dbraw/zinc/82/87/61/948828761.db2.gz TVFVHMIUTCUIEV-UHFFFAOYSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@@H](C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001574682826 948831422 /nfs/dbraw/zinc/83/14/22/948831422.db2.gz RQMJFDPOMWKXRL-JTQLQIEISA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@@H](C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001574682826 948831437 /nfs/dbraw/zinc/83/14/37/948831437.db2.gz RQMJFDPOMWKXRL-JTQLQIEISA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)c1nc(C(=O)N(C)CCN(C)c2ccc(-c3nnn[n-]3)nn2)cs1 ZINC001574424007 948837438 /nfs/dbraw/zinc/83/74/38/948837438.db2.gz AVKPRAXLFZBSGN-UHFFFAOYSA-N -1 1 387.473 1.445 20 0 GDADMM CC(C)c1nc(C(=O)N(C)CCN(C)c2ccc(-c3nn[n-]n3)nn2)cs1 ZINC001574424007 948837458 /nfs/dbraw/zinc/83/74/58/948837458.db2.gz AVKPRAXLFZBSGN-UHFFFAOYSA-N -1 1 387.473 1.445 20 0 GDADMM CC(F)(F)CC(=O)NCc1ccc(CNc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001575229311 948840558 /nfs/dbraw/zinc/84/05/58/948840558.db2.gz HFNXYHDNSJSYTG-UHFFFAOYSA-N -1 1 388.382 1.930 20 0 GDADMM CC(F)(F)CC(=O)NCc1ccc(CNc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001575229311 948840576 /nfs/dbraw/zinc/84/05/76/948840576.db2.gz HFNXYHDNSJSYTG-UHFFFAOYSA-N -1 1 388.382 1.930 20 0 GDADMM CC(C)c1nc(C(=O)N[C@@H](C)[C@H](C)Nc2nccnc2-c2nnn[n-]2)cs1 ZINC001574424155 948844234 /nfs/dbraw/zinc/84/42/34/948844234.db2.gz GTEJQQLRCVGABD-UWVGGRQHSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1nc(C(=O)N[C@@H](C)[C@H](C)Nc2nccnc2-c2nn[n-]n2)cs1 ZINC001574424155 948844245 /nfs/dbraw/zinc/84/42/45/948844245.db2.gz GTEJQQLRCVGABD-UWVGGRQHSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@H](C)CCNc2cncc(-c3nnn[n-]3)n2)n1 ZINC001574683326 948846819 /nfs/dbraw/zinc/84/68/19/948846819.db2.gz XRMXTNHUBHFOQU-GFCCVEGCSA-N -1 1 381.444 1.796 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@H](C)CCNc2cncc(-c3nn[n-]n3)n2)n1 ZINC001574683326 948846831 /nfs/dbraw/zinc/84/68/31/948846831.db2.gz XRMXTNHUBHFOQU-GFCCVEGCSA-N -1 1 381.444 1.796 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@@H](C)CCNc2cncc(-c3nnn[n-]3)n2)n1 ZINC001574683327 948847988 /nfs/dbraw/zinc/84/79/88/948847988.db2.gz XRMXTNHUBHFOQU-LBPRGKRZSA-N -1 1 381.444 1.796 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@@H](C)CCNc2cncc(-c3nn[n-]n3)n2)n1 ZINC001574683327 948848004 /nfs/dbraw/zinc/84/80/04/948848004.db2.gz XRMXTNHUBHFOQU-LBPRGKRZSA-N -1 1 381.444 1.796 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)[C@]1(F)CCOC1 ZINC001574684058 948853703 /nfs/dbraw/zinc/85/37/03/948853703.db2.gz AQEXIYWJUDWEJY-CPFSXVBKSA-N -1 1 389.844 1.412 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)[C@]1(F)CCOC1 ZINC001574684058 948853727 /nfs/dbraw/zinc/85/37/27/948853727.db2.gz AQEXIYWJUDWEJY-CPFSXVBKSA-N -1 1 389.844 1.412 20 0 GDADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)CC1(O)CCC1 ZINC001574685268 948906146 /nfs/dbraw/zinc/90/61/46/948906146.db2.gz UMCSDARIZBGWMU-MRVPVSSYSA-N -1 1 385.881 1.588 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1[C@H]2CN(c3snc(Cl)c3-c3nnn[n-]3)C[C@H]21 ZINC001575235130 948913665 /nfs/dbraw/zinc/91/36/65/948913665.db2.gz JEXYRNSLNQSKHR-KPCSLPGQSA-N -1 1 389.819 1.573 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1[C@H]2CN(c3snc(Cl)c3-c3nn[n-]n3)C[C@H]21 ZINC001575235130 948913679 /nfs/dbraw/zinc/91/36/79/948913679.db2.gz JEXYRNSLNQSKHR-KPCSLPGQSA-N -1 1 389.819 1.573 20 0 GDADMM CC(C)c1ncc(C(=O)N(C)[C@@H](C)CNc2ccc(-c3nnn[n-]3)nn2)s1 ZINC001574427940 948917121 /nfs/dbraw/zinc/91/71/21/948917121.db2.gz VAPRHMLQWSCTGT-JTQLQIEISA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)c1ncc(C(=O)N(C)[C@@H](C)CNc2ccc(-c3nn[n-]n3)nn2)s1 ZINC001574427940 948917136 /nfs/dbraw/zinc/91/71/36/948917136.db2.gz VAPRHMLQWSCTGT-JTQLQIEISA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)(C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C1CCCCC1 ZINC001573765609 948917585 /nfs/dbraw/zinc/91/75/85/948917585.db2.gz RVDKNIWLACANOQ-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)(C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C1CCCCC1 ZINC001573765609 948917599 /nfs/dbraw/zinc/91/75/99/948917599.db2.gz RVDKNIWLACANOQ-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)c1ccnn1C ZINC001574685764 948917954 /nfs/dbraw/zinc/91/79/54/948917954.db2.gz ZRJFQNBRMZJHRU-SSDOTTSWSA-N -1 1 381.853 1.331 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@H](C)[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)s1 ZINC001574428013 948921493 /nfs/dbraw/zinc/92/14/93/948921493.db2.gz XRKSOYLXXPYYLV-VHSXEESVSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@H](C)[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)s1 ZINC001574428013 948921506 /nfs/dbraw/zinc/92/15/06/948921506.db2.gz XRKSOYLXXPYYLV-VHSXEESVSA-N -1 1 387.473 1.856 20 0 GDADMM CC(F)(F)CC(=O)N[C@]12CCC[C@H]1CN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001575235540 948921702 /nfs/dbraw/zinc/92/17/02/948921702.db2.gz ODQZBLDESKLVKQ-QFYYESIMSA-N -1 1 378.387 1.177 20 0 GDADMM CC(F)(F)CC(=O)N[C@]12CCC[C@H]1CN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001575235540 948921715 /nfs/dbraw/zinc/92/17/15/948921715.db2.gz ODQZBLDESKLVKQ-QFYYESIMSA-N -1 1 378.387 1.177 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573771042 948934101 /nfs/dbraw/zinc/93/41/01/948934101.db2.gz AGFUQIDZWYPSHY-JSGCOSHPSA-N -1 1 384.488 1.602 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1)C(F)F ZINC001573771229 948937077 /nfs/dbraw/zinc/93/70/77/948937077.db2.gz DDUZJMMMGHIXNC-VHSXEESVSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1)C(F)F ZINC001573771229 948937082 /nfs/dbraw/zinc/93/70/82/948937082.db2.gz DDUZJMMMGHIXNC-VHSXEESVSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)c1ncsc1C(=O)N(C)[C@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001574432506 948937089 /nfs/dbraw/zinc/93/70/89/948937089.db2.gz LQFIXLYUIRKDOD-SNVBAGLBSA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)c1ncsc1C(=O)N(C)[C@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001574432506 948937100 /nfs/dbraw/zinc/93/71/00/948937100.db2.gz LQFIXLYUIRKDOD-SNVBAGLBSA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N[C@H](C)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574432706 948938059 /nfs/dbraw/zinc/93/80/59/948938059.db2.gz BEUHLZKTILCFDV-GHMZBOCLSA-N -1 1 384.448 1.133 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N[C@H](C)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574432706 948938074 /nfs/dbraw/zinc/93/80/74/948938074.db2.gz BEUHLZKTILCFDV-GHMZBOCLSA-N -1 1 384.448 1.133 20 0 GDADMM CC(C)[C@]1(C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001574088880 948938244 /nfs/dbraw/zinc/93/82/44/948938244.db2.gz GUEAOBNRYYGDAA-QJNYJZHLSA-N -1 1 382.472 1.519 20 0 GDADMM CC(C)[C@]1(C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001574088880 948938253 /nfs/dbraw/zinc/93/82/53/948938253.db2.gz GUEAOBNRYYGDAA-QJNYJZHLSA-N -1 1 382.472 1.519 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N[C@H](C)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574432721 948940308 /nfs/dbraw/zinc/94/03/08/948940308.db2.gz BYMGHJBCSZNOOM-WDEREUQCSA-N -1 1 384.448 1.133 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N[C@H](C)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574432721 948940315 /nfs/dbraw/zinc/94/03/15/948940315.db2.gz BYMGHJBCSZNOOM-WDEREUQCSA-N -1 1 384.448 1.133 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575237481 948947469 /nfs/dbraw/zinc/94/74/69/948947469.db2.gz GIJUJXAMOHZGAL-LLVKDONJSA-N -1 1 380.403 1.567 20 0 GDADMM CC(C)[C@H]1C[C@H](CC(=O)NCCN(C)c2nccnc2-c2nnn[n-]2)CCO1 ZINC001574089197 948950046 /nfs/dbraw/zinc/95/00/46/948950046.db2.gz DLHNLKDMWXFKTM-ZIAGYGMSSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)[C@H]1C[C@H](CC(=O)NCCN(C)c2nccnc2-c2nn[n-]n2)CCO1 ZINC001574089197 948950058 /nfs/dbraw/zinc/95/00/58/948950058.db2.gz DLHNLKDMWXFKTM-ZIAGYGMSSA-N -1 1 388.476 1.050 20 0 GDADMM CC(F)(F)CCC(=O)NC[C@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575237913 948951670 /nfs/dbraw/zinc/95/16/70/948951670.db2.gz IYFDJWABWJHEBL-LLVKDONJSA-N -1 1 380.403 1.567 20 0 GDADMM CC(F)(F)CCC(=O)NC[C@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575237913 948951682 /nfs/dbraw/zinc/95/16/82/948951682.db2.gz IYFDJWABWJHEBL-LLVKDONJSA-N -1 1 380.403 1.567 20 0 GDADMM CC(F)(F)CCC(=O)NCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001575237935 948952453 /nfs/dbraw/zinc/95/24/53/948952453.db2.gz JMIUBNLFGCSPBO-UHFFFAOYSA-N -1 1 380.403 1.425 20 0 GDADMM CC(F)(F)CCC(=O)NCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001575237935 948952469 /nfs/dbraw/zinc/95/24/69/948952469.db2.gz JMIUBNLFGCSPBO-UHFFFAOYSA-N -1 1 380.403 1.425 20 0 GDADMM CC(F)(F)CCC(=O)NCCC1(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575238414 948954684 /nfs/dbraw/zinc/95/46/84/948954684.db2.gz MXAMWJGYSYJUML-UHFFFAOYSA-N -1 1 380.403 1.212 20 0 GDADMM CC(C)(C(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)C(F)(F)F ZINC001573772560 948962011 /nfs/dbraw/zinc/96/20/11/948962011.db2.gz UWTXHFHZARXBQV-SECBINFHSA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)(C(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)C(F)(F)F ZINC001573772560 948962021 /nfs/dbraw/zinc/96/20/21/948962021.db2.gz UWTXHFHZARXBQV-SECBINFHSA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)(C(=O)NC[C@H](CO)Nc1nccnc1-c1nnn[n-]1)C1CCCCC1 ZINC001573773750 948992825 /nfs/dbraw/zinc/99/28/25/948992825.db2.gz GUDOVXHVKTVYIA-CYBMUJFWSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)(C(=O)NC[C@H](CO)Nc1nccnc1-c1nn[n-]n1)C1CCCCC1 ZINC001573773750 948992829 /nfs/dbraw/zinc/99/28/29/948992829.db2.gz GUDOVXHVKTVYIA-CYBMUJFWSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)c1nnsc1C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574439799 949010699 /nfs/dbraw/zinc/01/06/99/949010699.db2.gz ISSCDUJZBCTMBZ-KYZUINATSA-N -1 1 386.445 1.005 20 0 GDADMM CC(C)c1nnsc1C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574439799 949010714 /nfs/dbraw/zinc/01/07/14/949010714.db2.gz ISSCDUJZBCTMBZ-KYZUINATSA-N -1 1 386.445 1.005 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)CCc1ccc(F)cc1 ZINC001574693147 949050917 /nfs/dbraw/zinc/05/09/17/949050917.db2.gz AXVXIUNIOXWIGD-LBPRGKRZSA-N -1 1 384.419 1.735 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)CCc1ccc(F)cc1 ZINC001574693147 949050937 /nfs/dbraw/zinc/05/09/37/949050937.db2.gz AXVXIUNIOXWIGD-LBPRGKRZSA-N -1 1 384.419 1.735 20 0 GDADMM CC(C)c1occc1C(=O)N1C[C@H](C)[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574441152 949054974 /nfs/dbraw/zinc/05/49/74/949054974.db2.gz GCGQWXRSJLAJEG-WCQYABFASA-N -1 1 382.428 1.946 20 0 GDADMM CC(C)c1occc1C(=O)N1C[C@H](C)[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574441152 949054992 /nfs/dbraw/zinc/05/49/92/949054992.db2.gz GCGQWXRSJLAJEG-WCQYABFASA-N -1 1 382.428 1.946 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)c1ccccn1 ZINC001574694080 949064265 /nfs/dbraw/zinc/06/42/65/949064265.db2.gz KMBIHRDGHOLRFE-MRVPVSSYSA-N -1 1 378.849 1.992 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)c1ccccn1 ZINC001574694080 949064286 /nfs/dbraw/zinc/06/42/86/949064286.db2.gz KMBIHRDGHOLRFE-MRVPVSSYSA-N -1 1 378.849 1.992 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(F)F ZINC001573779449 949065401 /nfs/dbraw/zinc/06/54/01/949065401.db2.gz IIJQCQDZXRFZDX-SNVBAGLBSA-N -1 1 380.403 1.281 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573779856 949072369 /nfs/dbraw/zinc/07/23/69/949072369.db2.gz NZXCLEISPUCOFK-SECBINFHSA-N -1 1 384.366 1.188 20 0 GDADMM CC(C)c1nocc1C(=O)NC1CC(CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574441872 949081077 /nfs/dbraw/zinc/08/10/77/949081077.db2.gz DFDMPHSBJOLIBD-UHFFFAOYSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1nocc1C(=O)NC1CC(CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574441872 949081093 /nfs/dbraw/zinc/08/10/93/949081093.db2.gz DFDMPHSBJOLIBD-UHFFFAOYSA-N -1 1 383.416 1.389 20 0 GDADMM C[C@@H](NC(=O)C1(C(F)(F)F)CCC1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575249017 949084560 /nfs/dbraw/zinc/08/45/60/949084560.db2.gz ALPXWNVIYNKYKV-DTWKUNHWSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](NC(=O)C1(C(F)(F)F)CCC1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575249017 949084538 /nfs/dbraw/zinc/08/45/38/949084538.db2.gz ALPXWNVIYNKYKV-DTWKUNHWSA-N -1 1 384.366 1.694 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)NCC1(C)CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001574093196 949091409 /nfs/dbraw/zinc/09/14/09/949091409.db2.gz UZVRRNAJSRNMRR-UONOGXRCSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)NCC1(C)CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001574093196 949091428 /nfs/dbraw/zinc/09/14/28/949091428.db2.gz UZVRRNAJSRNMRR-UONOGXRCSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)N1CCC(CN(C)c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574093051 949091471 /nfs/dbraw/zinc/09/14/71/949091471.db2.gz QTUZHLXZHBAQBX-LSDHHAIUSA-N -1 1 384.488 1.624 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)N1CCC(CN(C)c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574093051 949091491 /nfs/dbraw/zinc/09/14/91/949091491.db2.gz QTUZHLXZHBAQBX-LSDHHAIUSA-N -1 1 384.488 1.624 20 0 GDADMM C[C@H](NC(=O)C(C)(C)c1cccnc1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575249420 949097627 /nfs/dbraw/zinc/09/76/27/949097627.db2.gz BRUAWZFDORQEDD-RYUDHWBXSA-N -1 1 381.444 1.335 20 0 GDADMM C[C@H](NC(=O)C(C)(C)c1cccnc1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575249420 949097648 /nfs/dbraw/zinc/09/76/48/949097648.db2.gz BRUAWZFDORQEDD-RYUDHWBXSA-N -1 1 381.444 1.335 20 0 GDADMM CC(C)c1nocc1C(=O)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001574442723 949098037 /nfs/dbraw/zinc/09/80/37/949098037.db2.gz RZJZVXMVULXPPF-UHFFFAOYSA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1nocc1C(=O)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001574442723 949098056 /nfs/dbraw/zinc/09/80/56/949098056.db2.gz RZJZVXMVULXPPF-UHFFFAOYSA-N -1 1 383.416 1.485 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)c1ccn(C)c1 ZINC001574694793 949098173 /nfs/dbraw/zinc/09/81/73/949098173.db2.gz WLHZYFFUBVEYQP-MRVPVSSYSA-N -1 1 380.865 1.936 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)c1ccn(C)c1 ZINC001574694793 949098194 /nfs/dbraw/zinc/09/81/94/949098194.db2.gz WLHZYFFUBVEYQP-MRVPVSSYSA-N -1 1 380.865 1.936 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cccc2c1CCC2 ZINC001574695189 949105799 /nfs/dbraw/zinc/10/57/99/949105799.db2.gz DTJPKNGSBHDUFA-LBPRGKRZSA-N -1 1 378.440 1.766 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cccc2c1CCC2 ZINC001574695189 949105811 /nfs/dbraw/zinc/10/58/11/949105811.db2.gz DTJPKNGSBHDUFA-LBPRGKRZSA-N -1 1 378.440 1.766 20 0 GDADMM CC(C)c1nocc1C(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574443229 949107679 /nfs/dbraw/zinc/10/76/79/949107679.db2.gz WFWFDBSRGMCOFQ-NSHDSACASA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1nocc1C(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574443229 949107696 /nfs/dbraw/zinc/10/76/96/949107696.db2.gz WFWFDBSRGMCOFQ-NSHDSACASA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)[C@]1(C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001574093441 949108073 /nfs/dbraw/zinc/10/80/73/949108073.db2.gz YBCABDSHZZAAFI-LJPSSGMGSA-N -1 1 382.472 1.519 20 0 GDADMM CC(C)[C@]1(C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001574093441 949108088 /nfs/dbraw/zinc/10/80/88/949108088.db2.gz YBCABDSHZZAAFI-LJPSSGMGSA-N -1 1 382.472 1.519 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001574696181 949124066 /nfs/dbraw/zinc/12/40/66/949124066.db2.gz MJCFYOQPVUEZII-KWCYVHTRSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001574696181 949124080 /nfs/dbraw/zinc/12/40/80/949124080.db2.gz MJCFYOQPVUEZII-KWCYVHTRSA-N -1 1 379.428 1.162 20 0 GDADMM CC(C)c1occc1C(=O)NC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001574446361 949127544 /nfs/dbraw/zinc/12/75/44/949127544.db2.gz NKWTWKPUBNYMIW-ZDUSSCGKSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1occc1C(=O)NC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001574446361 949127561 /nfs/dbraw/zinc/12/75/61/949127561.db2.gz NKWTWKPUBNYMIW-ZDUSSCGKSA-N -1 1 382.428 1.994 20 0 GDADMM C[C@@H](CNC(=O)COCC(F)F)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574932094 949130345 /nfs/dbraw/zinc/13/03/45/949130345.db2.gz UZOGIILBTJWEEH-YFKPBYRVSA-N -1 1 381.796 1.175 20 0 GDADMM C[C@@H](CNC(=O)COCC(F)F)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574932094 949130362 /nfs/dbraw/zinc/13/03/62/949130362.db2.gz UZOGIILBTJWEEH-YFKPBYRVSA-N -1 1 381.796 1.175 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)NCC1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574094205 949134100 /nfs/dbraw/zinc/13/41/00/949134100.db2.gz XWXUVNVGICXJKC-KGLIPLIRSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)NCC1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574094205 949134114 /nfs/dbraw/zinc/13/41/14/949134114.db2.gz XWXUVNVGICXJKC-KGLIPLIRSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)(C(=O)N[C@H]1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CC1)C(F)F ZINC001573786932 949154309 /nfs/dbraw/zinc/15/43/09/949154309.db2.gz HIAKJAZXKLLFJK-MGCOHNPYSA-N -1 1 380.403 1.209 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)c1ccccc1)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575252220 949154943 /nfs/dbraw/zinc/15/49/43/949154943.db2.gz PMIYTDHLTJYYKJ-CHWSQXEVSA-N -1 1 380.456 1.940 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)c1ccccc1)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575252220 949154958 /nfs/dbraw/zinc/15/49/58/949154958.db2.gz PMIYTDHLTJYYKJ-CHWSQXEVSA-N -1 1 380.456 1.940 20 0 GDADMM C[C@@H](c1ccccc1)[N@@H+]1CCO[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575514176 949163583 /nfs/dbraw/zinc/16/35/83/949163583.db2.gz BKMVUHQSIDTTNL-BBRMVZONSA-N -1 1 381.440 1.387 20 0 GDADMM C[C@@H](c1ccccc1)[N@H+]1CCO[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575514176 949163594 /nfs/dbraw/zinc/16/35/94/949163594.db2.gz BKMVUHQSIDTTNL-BBRMVZONSA-N -1 1 381.440 1.387 20 0 GDADMM C[C@@H](C(=O)N(C)C[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1)c1ccccc1F ZINC001574698490 949196529 /nfs/dbraw/zinc/19/65/29/949196529.db2.gz LNWGKKVJGNSJRB-NWDGAFQWSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@@H](C(=O)N(C)C[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1)c1ccccc1F ZINC001574698490 949196539 /nfs/dbraw/zinc/19/65/39/949196539.db2.gz LNWGKKVJGNSJRB-NWDGAFQWSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(Cl)s1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574936656 949216135 /nfs/dbraw/zinc/21/61/35/949216135.db2.gz JUTWLYLOJYPSRB-QMMMGPOBSA-N -1 1 378.849 1.531 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(Cl)s1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574936656 949216161 /nfs/dbraw/zinc/21/61/61/949216161.db2.gz JUTWLYLOJYPSRB-QMMMGPOBSA-N -1 1 378.849 1.531 20 0 GDADMM CC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)c2ncccc2F)CC1 ZINC001575853613 949217620 /nfs/dbraw/zinc/21/76/20/949217620.db2.gz VOYZYCKSDNLFQK-UHFFFAOYSA-N -1 1 383.391 1.298 20 0 GDADMM CC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)c2ncccc2F)CC1 ZINC001575853613 949217646 /nfs/dbraw/zinc/21/76/46/949217646.db2.gz VOYZYCKSDNLFQK-UHFFFAOYSA-N -1 1 383.391 1.298 20 0 GDADMM C[C@H]1CCC[C@H](OCC(=O)N(C)CCN(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001576151467 949220918 /nfs/dbraw/zinc/22/09/18/949220918.db2.gz FQONMHRLLINGOJ-KBPBESRZSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@H]1CCC[C@H](OCC(=O)N(C)CCN(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001576151467 949220935 /nfs/dbraw/zinc/22/09/35/949220935.db2.gz FQONMHRLLINGOJ-KBPBESRZSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@@](O)(CC(=O)N1CCC(C)(Nc2cncc(-c3nnn[n-]3)n2)CC1)C1CC1 ZINC001575853618 949220840 /nfs/dbraw/zinc/22/08/40/949220840.db2.gz VSQKDXVSJOTPCW-GOSISDBHSA-N -1 1 386.460 1.001 20 0 GDADMM C[C@@](O)(CC(=O)N1CCC(C)(Nc2cncc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001575853618 949220861 /nfs/dbraw/zinc/22/08/61/949220861.db2.gz VSQKDXVSJOTPCW-GOSISDBHSA-N -1 1 386.460 1.001 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(F)c(F)c1)CNc1nccnc1-c1nnn[n-]1 ZINC001574937283 949226981 /nfs/dbraw/zinc/22/69/81/949226981.db2.gz NSMPFKOUZGRBEW-SNVBAGLBSA-N -1 1 388.382 1.342 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(F)c(F)c1)CNc1nccnc1-c1nn[n-]n1 ZINC001574937283 949227006 /nfs/dbraw/zinc/22/70/06/949227006.db2.gz NSMPFKOUZGRBEW-SNVBAGLBSA-N -1 1 388.382 1.342 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H](C)NC(=O)C1(C(F)F)CCCC1 ZINC001575255161 949229017 /nfs/dbraw/zinc/22/90/17/949229017.db2.gz YJIAHEGJTAFRKL-ZJUUUORDSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H](C)NC(=O)C1(C(F)F)CCCC1 ZINC001575255161 949229040 /nfs/dbraw/zinc/22/90/40/949229040.db2.gz YJIAHEGJTAFRKL-ZJUUUORDSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@@H](CNC(=O)Cc1cc(F)ccc1F)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574937737 949232290 /nfs/dbraw/zinc/23/22/90/949232290.db2.gz QEUGZPZPNSEJKO-JTQLQIEISA-N -1 1 388.382 1.119 20 0 GDADMM C[C@@H](CNC(=O)Cc1cc(F)ccc1F)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574937737 949232313 /nfs/dbraw/zinc/23/23/13/949232313.db2.gz QEUGZPZPNSEJKO-JTQLQIEISA-N -1 1 388.382 1.119 20 0 GDADMM C[C@H](CNC(=O)Cc1cc(F)ccc1F)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574938427 949240872 /nfs/dbraw/zinc/24/08/72/949240872.db2.gz VSMLKJWJYMEISL-SNVBAGLBSA-N -1 1 388.382 1.119 20 0 GDADMM CC(C)c1scnc1C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574451762 949241600 /nfs/dbraw/zinc/24/16/00/949241600.db2.gz XMWRTNFCJYTNTA-SNVBAGLBSA-N -1 1 385.457 1.563 20 0 GDADMM CC(C)c1scnc1C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574451762 949241618 /nfs/dbraw/zinc/24/16/18/949241618.db2.gz XMWRTNFCJYTNTA-SNVBAGLBSA-N -1 1 385.457 1.563 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(Cl)s1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574938464 949249107 /nfs/dbraw/zinc/24/91/07/949249107.db2.gz WMYXTOXGXRTSHD-MRVPVSSYSA-N -1 1 378.849 1.531 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(Cl)s1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574938464 949249131 /nfs/dbraw/zinc/24/91/31/949249131.db2.gz WMYXTOXGXRTSHD-MRVPVSSYSA-N -1 1 378.849 1.531 20 0 GDADMM C[C@H](NC(=O)C1(CCF)CC1)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575256493 949254677 /nfs/dbraw/zinc/25/46/77/949254677.db2.gz VVVCZHWQBIIGPC-STQMWFEESA-N -1 1 388.451 1.518 20 0 GDADMM C[C@H](NC(=O)C1(CCF)CC1)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575256493 949254690 /nfs/dbraw/zinc/25/46/90/949254690.db2.gz VVVCZHWQBIIGPC-STQMWFEESA-N -1 1 388.451 1.518 20 0 GDADMM CC(C)n1cc(C(=O)N[C@@H](CNc2nccnc2-c2nnn[n-]2)C2CC2)cn1 ZINC001574452480 949264615 /nfs/dbraw/zinc/26/46/15/949264615.db2.gz KLQWQHKBRKXFSU-ZDUSSCGKSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cc(C(=O)N[C@@H](CNc2nccnc2-c2nn[n-]n2)C2CC2)cn1 ZINC001574452480 949264635 /nfs/dbraw/zinc/26/46/35/949264635.db2.gz KLQWQHKBRKXFSU-ZDUSSCGKSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@@H](NC(=O)C1(C2CC2)CC1)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575257165 949265689 /nfs/dbraw/zinc/26/56/89/949265689.db2.gz YOSXMVMQXBWKLN-OLZOCXBDSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](NC(=O)C1(C2CC2)CC1)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575257165 949265709 /nfs/dbraw/zinc/26/57/09/949265709.db2.gz YOSXMVMQXBWKLN-OLZOCXBDSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccnc1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574940505 949269713 /nfs/dbraw/zinc/26/97/13/949269713.db2.gz GHAFUDTVOIUSIE-VIFPVBQESA-N -1 1 392.876 1.779 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccnc1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574940505 949269733 /nfs/dbraw/zinc/26/97/33/949269733.db2.gz GHAFUDTVOIUSIE-VIFPVBQESA-N -1 1 392.876 1.779 20 0 GDADMM C[C@@H](CN(C)C(=O)C1(C(F)(F)F)CCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574702069 949272302 /nfs/dbraw/zinc/27/23/02/949272302.db2.gz FZFIEJPCZILCSP-VIFPVBQESA-N -1 1 384.366 1.070 20 0 GDADMM C[C@@H]1CCC[C@]1(C)C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001576152916 949272381 /nfs/dbraw/zinc/27/23/81/949272381.db2.gz KUOZNCRRCOKCEM-PXWIGAEESA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H]1CCC[C@]1(C)C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001576152916 949272404 /nfs/dbraw/zinc/27/24/04/949272404.db2.gz KUOZNCRRCOKCEM-PXWIGAEESA-N -1 1 382.472 1.378 20 0 GDADMM CC(C)CC(=O)N1CCCC[C@@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001574106142 949273992 /nfs/dbraw/zinc/27/39/92/949273992.db2.gz FROQGLFMCCFZNK-IBGZPJMESA-N -1 1 384.488 1.912 20 0 GDADMM C[C@H](CN(C)C(=O)C1(C(F)(F)F)CCC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574701834 949276046 /nfs/dbraw/zinc/27/60/46/949276046.db2.gz FHPSOTREYFKZOB-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](CN(C)C(=O)C1(C(F)(F)F)CCC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574701834 949276070 /nfs/dbraw/zinc/27/60/70/949276070.db2.gz FHPSOTREYFKZOB-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)n1cc(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)cn1 ZINC001574454939 949296940 /nfs/dbraw/zinc/29/69/40/949296940.db2.gz IKHWVTSFPSMMTN-AULYBMBSSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cc(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)cn1 ZINC001574454939 949296962 /nfs/dbraw/zinc/29/69/62/949296962.db2.gz IKHWVTSFPSMMTN-AULYBMBSSA-N -1 1 382.432 1.055 20 0 GDADMM CC1=CC[C@](C)(C(=O)N(C)C[C@H](O)CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001575860432 949297241 /nfs/dbraw/zinc/29/72/41/949297241.db2.gz IEHUVESBDYWRSC-ACJLOTCBSA-N -1 1 386.460 1.024 20 0 GDADMM CC1=CC[C@](C)(C(=O)N(C)C[C@H](O)CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001575860432 949297261 /nfs/dbraw/zinc/29/72/61/949297261.db2.gz IEHUVESBDYWRSC-ACJLOTCBSA-N -1 1 386.460 1.024 20 0 GDADMM CC1=CC[C@](C)(C(=O)N(C)C[C@@H](O)CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001575860435 949298125 /nfs/dbraw/zinc/29/81/25/949298125.db2.gz IEHUVESBDYWRSC-UGSOOPFHSA-N -1 1 386.460 1.024 20 0 GDADMM CC1=CC[C@](C)(C(=O)N(C)C[C@@H](O)CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001575860435 949298147 /nfs/dbraw/zinc/29/81/47/949298147.db2.gz IEHUVESBDYWRSC-UGSOOPFHSA-N -1 1 386.460 1.024 20 0 GDADMM CC1(C(=O)N(CCO)CCNc2cncc(-c3nnn[n-]3)n2)CCCCCC1 ZINC001575523819 949302896 /nfs/dbraw/zinc/30/28/96/949302896.db2.gz DGXUZHGRGFOXPA-UHFFFAOYSA-N -1 1 388.476 1.250 20 0 GDADMM CC1(C(=O)N(CCO)CCNc2cncc(-c3nn[n-]n3)n2)CCCCCC1 ZINC001575523819 949302922 /nfs/dbraw/zinc/30/29/22/949302922.db2.gz DGXUZHGRGFOXPA-UHFFFAOYSA-N -1 1 388.476 1.250 20 0 GDADMM CC(C)n1ccc(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001574457243 949319593 /nfs/dbraw/zinc/31/95/93/949319593.db2.gz DHGJLSGISYZJRT-GFCCVEGCSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1ccc(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001574457243 949319612 /nfs/dbraw/zinc/31/96/12/949319612.db2.gz DHGJLSGISYZJRT-GFCCVEGCSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccon1 ZINC001576154164 949321177 /nfs/dbraw/zinc/32/11/77/949321177.db2.gz CGVDIDGDQUWDCM-DIFFPNOSSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccon1 ZINC001576154164 949321199 /nfs/dbraw/zinc/32/11/99/949321199.db2.gz CGVDIDGDQUWDCM-DIFFPNOSSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@H](NC(=O)C1CC(F)(F)C1)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575259441 949329502 /nfs/dbraw/zinc/32/95/02/949329502.db2.gz OLETWVRHFKSAIX-QWRGUYRKSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@H](NC(=O)C1CC(F)(F)C1)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575259441 949329519 /nfs/dbraw/zinc/32/95/19/949329519.db2.gz OLETWVRHFKSAIX-QWRGUYRKSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc[nH]1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574942355 949348297 /nfs/dbraw/zinc/34/82/97/949348297.db2.gz YZQKOYWZNGKGMR-MRVPVSSYSA-N -1 1 380.865 1.488 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc[nH]1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574942355 949348319 /nfs/dbraw/zinc/34/83/19/949348319.db2.gz YZQKOYWZNGKGMR-MRVPVSSYSA-N -1 1 380.865 1.488 20 0 GDADMM C[C@H](NC(=O)C1=COCCC1)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575260142 949348269 /nfs/dbraw/zinc/34/82/69/949348269.db2.gz UZGPWDXFVATHHT-STQMWFEESA-N -1 1 384.444 1.072 20 0 GDADMM C[C@H]1CCC[C@@H]1CC(=O)NCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001576154848 949365709 /nfs/dbraw/zinc/36/57/09/949365709.db2.gz FUNDBTGRSMMTCP-DZGCQCFKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H]1CCC[C@@H]1CC(=O)NCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001576154848 949365717 /nfs/dbraw/zinc/36/57/17/949365717.db2.gz FUNDBTGRSMMTCP-DZGCQCFKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H]1CCC[C@@]1(C)C(=O)N(C)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576154906 949367672 /nfs/dbraw/zinc/36/76/72/949367672.db2.gz SFHVPAGIYWBKFJ-BFUOFWGJSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C(C)(C)C(F)F)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575865372 949370355 /nfs/dbraw/zinc/37/03/55/949370355.db2.gz AHWADWXNMZGECD-UWVGGRQHSA-N -1 1 380.403 1.422 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ccn[nH]1 ZINC001576155028 949374906 /nfs/dbraw/zinc/37/49/06/949374906.db2.gz GDEYPFABYSHMLV-DIFFPNOSSA-N -1 1 382.432 1.171 20 0 GDADMM CC1(C(=O)N2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C(C)(C)C2)CC(F)(F)C1 ZINC001575528011 949386497 /nfs/dbraw/zinc/38/64/97/949386497.db2.gz KWZBQUIOHSSEPJ-LLVKDONJSA-N -1 1 392.414 1.741 20 0 GDADMM CC1(C(=O)N2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C(C)(C)C2)CC(F)(F)C1 ZINC001575528011 949386513 /nfs/dbraw/zinc/38/65/13/949386513.db2.gz KWZBQUIOHSSEPJ-LLVKDONJSA-N -1 1 392.414 1.741 20 0 GDADMM CC(C)n1cnc(C(=O)N2CCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001574463907 949391194 /nfs/dbraw/zinc/39/11/94/949391194.db2.gz AWHPWJFCQICOJP-GFCCVEGCSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1cnc(C(=O)N2CCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001574463907 949391212 /nfs/dbraw/zinc/39/12/12/949391212.db2.gz AWHPWJFCQICOJP-GFCCVEGCSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@H]1CCC[C@@H]1CC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001576155307 949395959 /nfs/dbraw/zinc/39/59/59/949395959.db2.gz HWUNIMPMDLSWGS-LJISPDSOSA-N -1 1 382.472 1.378 20 0 GDADMM CC(C)CC(=O)N[C@@H]1[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)[C@H]2C1(C)C ZINC001574114173 949407119 /nfs/dbraw/zinc/40/71/19/949407119.db2.gz SCEQOGILXFXFGK-CSMYWGQOSA-N -1 1 384.488 1.812 20 0 GDADMM CC(C)CC(=O)N[C@@H]1[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)[C@H]2C1(C)C ZINC001574114173 949407142 /nfs/dbraw/zinc/40/71/42/949407142.db2.gz SCEQOGILXFXFGK-CSMYWGQOSA-N -1 1 384.488 1.812 20 0 GDADMM C[C@@H]1CCC[C@@H]1CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001576155609 949415092 /nfs/dbraw/zinc/41/50/92/949415092.db2.gz JKUWUUNYVDMWGH-TUVASFSCSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H]1CCC[C@@H]1CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001576155609 949415111 /nfs/dbraw/zinc/41/51/11/949415111.db2.gz JKUWUUNYVDMWGH-TUVASFSCSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1CCCCC1(F)F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574705330 949422115 /nfs/dbraw/zinc/42/21/15/949422115.db2.gz IBCWHGVUVMJVBZ-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1CCCCC1(F)F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574705330 949422124 /nfs/dbraw/zinc/42/21/24/949422124.db2.gz IBCWHGVUVMJVBZ-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1CC1(F)F)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574705492 949423784 /nfs/dbraw/zinc/42/37/84/949423784.db2.gz UBUYHKZPHFFUBQ-WDSKDSINSA-N -1 1 377.808 1.891 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1CC1(F)F)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574705492 949423796 /nfs/dbraw/zinc/42/37/96/949423796.db2.gz UBUYHKZPHFFUBQ-WDSKDSINSA-N -1 1 377.808 1.891 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccc[nH]1 ZINC001576156251 949435642 /nfs/dbraw/zinc/43/56/42/949435642.db2.gz MGARESOZRORDNW-XIKOKIGWSA-N -1 1 381.444 1.198 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2(C(C)(F)F)CC2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575867736 949443036 /nfs/dbraw/zinc/44/30/36/949443036.db2.gz JZYFJRFIUSIPMT-QWRGUYRKSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2(C(C)(F)F)CC2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575867736 949443045 /nfs/dbraw/zinc/44/30/45/949443045.db2.gz JZYFJRFIUSIPMT-QWRGUYRKSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@@]1(C(=O)N2CC[C@H](CCNc3ccc(-c4nnn[n-]4)nn3)C2)CCCOC1 ZINC001575535345 949446585 /nfs/dbraw/zinc/44/65/85/949446585.db2.gz VSIWUJNORJTRMY-SCLBCKFNSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@@]1(C(=O)N2CC[C@H](CCNc3ccc(-c4nn[n-]n4)nn3)C2)CCCOC1 ZINC001575535345 949446601 /nfs/dbraw/zinc/44/66/01/949446601.db2.gz VSIWUJNORJTRMY-SCLBCKFNSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@@H](NC(=O)C1CCCCC1)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575265297 949448934 /nfs/dbraw/zinc/44/89/34/949448934.db2.gz UAQJAUVCPPTMSZ-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](NC(=O)C1CCCCC1)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575265297 949448953 /nfs/dbraw/zinc/44/89/53/949448953.db2.gz UAQJAUVCPPTMSZ-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCC[C@H](C(=O)N2CCC(N(C)c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001576156929 949462314 /nfs/dbraw/zinc/46/23/14/949462314.db2.gz YDAVYROSKSVDQH-KBPBESRZSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CCC[C@H](C(=O)N2CCC(N(C)c3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC001576156929 949462329 /nfs/dbraw/zinc/46/23/29/949462329.db2.gz YDAVYROSKSVDQH-KBPBESRZSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)n1nccc1C(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001574469125 949473987 /nfs/dbraw/zinc/47/39/87/949473987.db2.gz WZMJVAJSUGONRV-UHFFFAOYSA-N -1 1 386.485 1.662 20 0 GDADMM C[C@H](CN(C)C(=O)C1CCC(F)(F)CC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574707883 949478810 /nfs/dbraw/zinc/47/88/10/949478810.db2.gz RMGVFQTVEIMGRX-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CN(C)C(=O)C1CCC(F)(F)CC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574707883 949478815 /nfs/dbraw/zinc/47/88/15/949478815.db2.gz RMGVFQTVEIMGRX-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)CC(=O)N[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C[C@@H]1O ZINC001574117686 949479208 /nfs/dbraw/zinc/47/92/08/949479208.db2.gz ZBJPQZHZXVVMPI-BDAKNGLRSA-N -1 1 385.881 1.079 20 0 GDADMM CC(C)CC(=O)N[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C[C@@H]1O ZINC001574117686 949479215 /nfs/dbraw/zinc/47/92/15/949479215.db2.gz ZBJPQZHZXVVMPI-BDAKNGLRSA-N -1 1 385.881 1.079 20 0 GDADMM C[C@H](NC(=O)C1Cc2ccccc2C1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575266541 949482386 /nfs/dbraw/zinc/48/23/86/949482386.db2.gz ZCFATYOKMIFLNN-RYUDHWBXSA-N -1 1 378.440 1.377 20 0 GDADMM C[C@H](NC(=O)C1Cc2ccccc2C1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575266541 949482403 /nfs/dbraw/zinc/48/24/03/949482403.db2.gz ZCFATYOKMIFLNN-RYUDHWBXSA-N -1 1 378.440 1.377 20 0 GDADMM CC1(C(=O)N2CCC(Nc3nccnc3-c3nnn[n-]3)CC2)CC(F)(F)C1 ZINC001575536982 949483638 /nfs/dbraw/zinc/48/36/38/949483638.db2.gz PNVQEHRIGGAEGZ-UHFFFAOYSA-N -1 1 378.387 1.495 20 0 GDADMM CC1(C(=O)N2CCC(Nc3nccnc3-c3nn[n-]n3)CC2)CC(F)(F)C1 ZINC001575536982 949483645 /nfs/dbraw/zinc/48/36/45/949483645.db2.gz PNVQEHRIGGAEGZ-UHFFFAOYSA-N -1 1 378.387 1.495 20 0 GDADMM CC1(C(=O)N2CCC[C@@H]([C@@H]3CCN(c4ccc(-c5nnn[n-]5)nn4)C3)C2)CC1 ZINC001575538220 949515596 /nfs/dbraw/zinc/51/55/96/949515596.db2.gz FCJPYUUPWRYUTI-ZIAGYGMSSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C(=O)N2CCC[C@@H]([C@@H]3CCN(c4ccc(-c5nn[n-]n5)nn4)C3)C2)CC1 ZINC001575538220 949515613 /nfs/dbraw/zinc/51/56/13/949515613.db2.gz FCJPYUUPWRYUTI-ZIAGYGMSSA-N -1 1 382.472 1.522 20 0 GDADMM CC(C)n1nccc1C(=O)NC[C@H](Nc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001574470897 949521383 /nfs/dbraw/zinc/52/13/83/949521383.db2.gz XHDFDKUPLDKZOS-LBPRGKRZSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1nccc1C(=O)NC[C@H](Nc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001574470897 949521404 /nfs/dbraw/zinc/52/14/04/949521404.db2.gz XHDFDKUPLDKZOS-LBPRGKRZSA-N -1 1 382.432 1.055 20 0 GDADMM CC1(C(=O)N2CC[C@@]3(CCN(c4cncc(-c5nnn[n-]5)n4)C3)C2)CCCC1 ZINC001575539306 949541747 /nfs/dbraw/zinc/54/17/47/949541747.db2.gz OHTTZASFYAGCSA-LJQANCHMSA-N -1 1 382.472 1.666 20 0 GDADMM CC1(C(=O)N2CC[C@@]3(CCN(c4cncc(-c5nn[n-]n5)n4)C3)C2)CCCC1 ZINC001575539306 949541764 /nfs/dbraw/zinc/54/17/64/949541764.db2.gz OHTTZASFYAGCSA-LJQANCHMSA-N -1 1 382.472 1.666 20 0 GDADMM CC1(C(=O)N2CCC3(C2)CCN(c2nccnc2-c2nnn[n-]2)CC3)CCC1 ZINC001575539794 949558361 /nfs/dbraw/zinc/55/83/61/949558361.db2.gz TZSZSLOMZSGKGN-UHFFFAOYSA-N -1 1 382.472 1.666 20 0 GDADMM CC1(C(=O)N2CCC3(C2)CCN(c2nccnc2-c2nn[n-]n2)CC3)CCC1 ZINC001575539794 949558379 /nfs/dbraw/zinc/55/83/79/949558379.db2.gz TZSZSLOMZSGKGN-UHFFFAOYSA-N -1 1 382.472 1.666 20 0 GDADMM C[C@H](CC(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574475874 949578706 /nfs/dbraw/zinc/57/87/06/949578706.db2.gz CSYJDZBNWDUKNN-ZBFHGGJFSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@H]1CCCN(C(=O)C2(F)CCCC2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576166421 949578925 /nfs/dbraw/zinc/57/89/25/949578925.db2.gz LNYYOZQKEXTDGU-STQMWFEESA-N -1 1 388.451 1.400 20 0 GDADMM CC1(C(=O)N2CCC[C@@H]3[C@H]2CCN3c2cncc(-c3nnn[n-]3)n2)CCCC1 ZINC001575544387 949581376 /nfs/dbraw/zinc/58/13/76/949581376.db2.gz CCOGRXRIPLOEEH-HUUCEWRRSA-N -1 1 382.472 1.807 20 0 GDADMM CC1(C(=O)N2CCC[C@@H]3[C@H]2CCN3c2cncc(-c3nn[n-]n3)n2)CCCC1 ZINC001575544387 949581398 /nfs/dbraw/zinc/58/13/98/949581398.db2.gz CCOGRXRIPLOEEH-HUUCEWRRSA-N -1 1 382.472 1.807 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2C=CC=CC=C2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575873734 949584802 /nfs/dbraw/zinc/58/48/02/949584802.db2.gz PXXOGKXNTQHCRY-DZGCQCFKSA-N -1 1 378.440 1.429 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2C=CC=CC=C2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575873734 949584818 /nfs/dbraw/zinc/58/48/18/949584818.db2.gz PXXOGKXNTQHCRY-DZGCQCFKSA-N -1 1 378.440 1.429 20 0 GDADMM C[C@H]1CCCC[C@@H]1OCC(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001576166502 949584619 /nfs/dbraw/zinc/58/46/19/949584619.db2.gz MPOQAGPYAIOOCT-ABHRYQDASA-N -1 1 386.460 1.311 20 0 GDADMM C[C@H]1CCCC[C@@H]1OCC(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001576166502 949584637 /nfs/dbraw/zinc/58/46/37/949584637.db2.gz MPOQAGPYAIOOCT-ABHRYQDASA-N -1 1 386.460 1.311 20 0 GDADMM CC1(C(=O)N2CCC[C@@]3(CCN(c4cnc(-c5nnn[n-]5)cn4)C3)C2)CCC1 ZINC001575544506 949585941 /nfs/dbraw/zinc/58/59/41/949585941.db2.gz DRGIUNPIYUBTFH-IBGZPJMESA-N -1 1 382.472 1.666 20 0 GDADMM CC1(C(=O)N2CCC[C@@]3(CCN(c4cnc(-c5nn[n-]n5)cn4)C3)C2)CCC1 ZINC001575544506 949585965 /nfs/dbraw/zinc/58/59/65/949585965.db2.gz DRGIUNPIYUBTFH-IBGZPJMESA-N -1 1 382.472 1.666 20 0 GDADMM C[C@@H](NC(=O)CCCc1cccs1)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575270500 949591110 /nfs/dbraw/zinc/59/11/10/949591110.db2.gz CZPBZIMCTZSGNA-NWDGAFQWSA-N -1 1 386.485 1.468 20 0 GDADMM CC1(C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001575545644 949599931 /nfs/dbraw/zinc/59/99/31/949599931.db2.gz MUPDARMAOLKGQI-KGLIPLIRSA-N -1 1 382.472 1.807 20 0 GDADMM C[C@@H](CNC(=O)[C@]12C[C@H]1COC2)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001574957622 949622345 /nfs/dbraw/zinc/62/23/45/949622345.db2.gz CUFWTZISQIHSGE-KXEKKFMESA-N -1 1 383.865 1.177 20 0 GDADMM C[C@@H](CNC(=O)[C@]12C[C@H]1COC2)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001574957622 949622363 /nfs/dbraw/zinc/62/23/63/949622363.db2.gz CUFWTZISQIHSGE-KXEKKFMESA-N -1 1 383.865 1.177 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)NC[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574957643 949623210 /nfs/dbraw/zinc/62/32/10/949623210.db2.gz DKAPOZXINWOTGS-UONOGXRCSA-N -1 1 380.456 1.700 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)NC[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574957643 949623234 /nfs/dbraw/zinc/62/32/34/949623234.db2.gz DKAPOZXINWOTGS-UONOGXRCSA-N -1 1 380.456 1.700 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CCc2ccco2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575874838 949624520 /nfs/dbraw/zinc/62/45/20/949624520.db2.gz HIPQQBPSFFLQRT-OCCSQVGLSA-N -1 1 382.428 1.356 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CCc2ccco2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575874838 949624531 /nfs/dbraw/zinc/62/45/31/949624531.db2.gz HIPQQBPSFFLQRT-OCCSQVGLSA-N -1 1 382.428 1.356 20 0 GDADMM C[C@H](NC(=O)CCCC1CC1)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575271785 949627454 /nfs/dbraw/zinc/62/74/54/949627454.db2.gz MBNHRMAFVDJGEU-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](NC(=O)CCCC1CC1)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575271785 949627472 /nfs/dbraw/zinc/62/74/72/949627472.db2.gz MBNHRMAFVDJGEU-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CCc1ccoc1 ZINC001573814988 949646861 /nfs/dbraw/zinc/64/68/61/949646861.db2.gz FZVJSEKZBHYXEJ-CYBMUJFWSA-N -1 1 384.444 1.247 20 0 GDADMM C[C@@H](CN(C)C(=O)CC1(O)CCC1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574715320 949650534 /nfs/dbraw/zinc/65/05/34/949650534.db2.gz IQJGIYLKRGALJZ-QMMMGPOBSA-N -1 1 385.881 1.541 20 0 GDADMM C[C@@H](CN(C)C(=O)CC1(O)CCC1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574715320 949650548 /nfs/dbraw/zinc/65/05/48/949650548.db2.gz IQJGIYLKRGALJZ-QMMMGPOBSA-N -1 1 385.881 1.541 20 0 GDADMM C[C@H](CC(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001574477533 949659949 /nfs/dbraw/zinc/65/99/49/949659949.db2.gz RZNQYNOTJLQSRR-ZIAGYGMSSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@H](CC(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001574477533 949659957 /nfs/dbraw/zinc/65/99/57/949659957.db2.gz RZNQYNOTJLQSRR-ZIAGYGMSSA-N -1 1 381.444 1.147 20 0 GDADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCCC1(C)C ZINC001573815839 949661053 /nfs/dbraw/zinc/66/10/53/949661053.db2.gz KLQQJLIHOIEUNX-STQMWFEESA-N -1 1 386.504 1.848 20 0 GDADMM C[C@@H](CC(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCO1 ZINC001574477862 949679766 /nfs/dbraw/zinc/67/97/66/949679766.db2.gz VQUZLYUMRHOYIC-DZGCQCFKSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@@H](CC(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCO1 ZINC001574477862 949679780 /nfs/dbraw/zinc/67/97/80/949679780.db2.gz VQUZLYUMRHOYIC-DZGCQCFKSA-N -1 1 388.476 1.147 20 0 GDADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1(CF)CCC1 ZINC001573816946 949688190 /nfs/dbraw/zinc/68/81/90/949688190.db2.gz VWAOUFIOLFNHMS-NSHDSACASA-N -1 1 376.440 1.161 20 0 GDADMM C[C@H]1[C@H](NC(=O)Cc2ccccc2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575879664 949688393 /nfs/dbraw/zinc/68/83/93/949688393.db2.gz RDCGSURTYSTFDK-DZGCQCFKSA-N -1 1 378.440 1.373 20 0 GDADMM C[C@H]1[C@H](NC(=O)Cc2ccccc2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575879664 949688409 /nfs/dbraw/zinc/68/84/09/949688409.db2.gz RDCGSURTYSTFDK-DZGCQCFKSA-N -1 1 378.440 1.373 20 0 GDADMM CC1(C(=O)N2C[C@@H](c3ccccc3)[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001575555302 949701678 /nfs/dbraw/zinc/70/16/78/949701678.db2.gz ZKSLGPZNIRYJCI-GOEBONIOSA-N -1 1 390.451 1.863 20 0 GDADMM CC1(C(=O)N2C[C@@H](c3ccccc3)[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001575555302 949701688 /nfs/dbraw/zinc/70/16/88/949701688.db2.gz ZKSLGPZNIRYJCI-GOEBONIOSA-N -1 1 390.451 1.863 20 0 GDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](C)NC(=O)CCc1ccccc1F ZINC001575275891 949707768 /nfs/dbraw/zinc/70/77/68/949707768.db2.gz FPWOXFDJXAKTRG-NEPJUHHUSA-N -1 1 384.419 1.734 20 0 GDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](C)NC(=O)CCc1ccccc1F ZINC001575275891 949707782 /nfs/dbraw/zinc/70/77/82/949707782.db2.gz FPWOXFDJXAKTRG-NEPJUHHUSA-N -1 1 384.419 1.734 20 0 GDADMM C[C@@H]1CCCN(C(=O)Cc2ccoc2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576170340 949715487 /nfs/dbraw/zinc/71/54/87/949715487.db2.gz KJCJGTUYIASJGY-IUODEOHRSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@@H]1CCCN(C(=O)Cc2ccoc2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576170340 949715512 /nfs/dbraw/zinc/71/55/12/949715512.db2.gz KJCJGTUYIASJGY-IUODEOHRSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@]1(C(=O)N[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C2CCCC2)CCOC1 ZINC001575558090 949729797 /nfs/dbraw/zinc/72/97/97/949729797.db2.gz OLLQDIYYJZBRGU-ACJLOTCBSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@]1(C(=O)N[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C2CCCC2)CCOC1 ZINC001575558090 949729812 /nfs/dbraw/zinc/72/98/12/949729812.db2.gz OLLQDIYYJZBRGU-ACJLOTCBSA-N -1 1 386.460 1.170 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C1CC(F)(F)C1 ZINC001573818548 949735856 /nfs/dbraw/zinc/73/58/56/949735856.db2.gz NLMZMYWTCRUEMT-NSHDSACASA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C1CC(F)(F)C1 ZINC001573818548 949735874 /nfs/dbraw/zinc/73/58/74/949735874.db2.gz NLMZMYWTCRUEMT-NSHDSACASA-N -1 1 380.403 1.645 20 0 GDADMM C[C@@H]1CCCN(C(=O)CCCF)[C@@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001576170861 949741064 /nfs/dbraw/zinc/74/10/64/949741064.db2.gz OCHHINYJLMBBCE-TZMCWYRMSA-N -1 1 376.440 1.836 20 0 GDADMM C[C@@H]1CCCN(C(=O)CCCF)[C@@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001576170861 949741079 /nfs/dbraw/zinc/74/10/79/949741079.db2.gz OCHHINYJLMBBCE-TZMCWYRMSA-N -1 1 376.440 1.836 20 0 GDADMM C[C@@H]1CCCN(C(=O)CCCF)[C@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001576170860 949742623 /nfs/dbraw/zinc/74/26/23/949742623.db2.gz OCHHINYJLMBBCE-OCCSQVGLSA-N -1 1 376.440 1.836 20 0 GDADMM C[C@@H]1CCCN(C(=O)CCCF)[C@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001576170860 949742636 /nfs/dbraw/zinc/74/26/36/949742636.db2.gz OCHHINYJLMBBCE-OCCSQVGLSA-N -1 1 376.440 1.836 20 0 GDADMM C[C@@H](CC(=O)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1)n1cccc1 ZINC001574480182 949742940 /nfs/dbraw/zinc/74/29/40/949742940.db2.gz HGVOBIIVXAHKPE-ZDUSSCGKSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@@H](CC(=O)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1)n1cccc1 ZINC001574480182 949742960 /nfs/dbraw/zinc/74/29/60/949742960.db2.gz HGVOBIIVXAHKPE-ZDUSSCGKSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001574480483 949752774 /nfs/dbraw/zinc/75/27/74/949752774.db2.gz IUZCMXIAFKXGCI-YUELXQCFSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001574480483 949752803 /nfs/dbraw/zinc/75/28/03/949752803.db2.gz IUZCMXIAFKXGCI-YUELXQCFSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H]1CC[C@H](C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)[C@H]2C)CC1 ZINC001575882083 949753617 /nfs/dbraw/zinc/75/36/17/949753617.db2.gz GAYIMOGIHNPALJ-ZQDZILKHSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H]1CC[C@H](C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)[C@H]2C)CC1 ZINC001575882083 949753635 /nfs/dbraw/zinc/75/36/35/949753635.db2.gz GAYIMOGIHNPALJ-ZQDZILKHSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@@H]1CCCN(C(=O)Cc2ccc[nH]2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576171338 949756261 /nfs/dbraw/zinc/75/62/61/949756261.db2.gz QKWPOVKBTJWPSR-DOMZBBRYSA-N -1 1 381.444 1.267 20 0 GDADMM C[C@@H]1CCCN(C(=O)Cc2ccc[nH]2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576171338 949756291 /nfs/dbraw/zinc/75/62/91/949756291.db2.gz QKWPOVKBTJWPSR-DOMZBBRYSA-N -1 1 381.444 1.267 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CC[C@H]1CCCO1 ZINC001573819821 949758151 /nfs/dbraw/zinc/75/81/51/949758151.db2.gz VUSJFRCHLARKEA-OCCSQVGLSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CC[C@H]1CCCO1 ZINC001573819821 949758173 /nfs/dbraw/zinc/75/81/73/949758173.db2.gz VUSJFRCHLARKEA-OCCSQVGLSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001574480840 949760318 /nfs/dbraw/zinc/76/03/18/949760318.db2.gz KJDHMJCKCIVCMB-VHSXEESVSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001574480840 949760330 /nfs/dbraw/zinc/76/03/30/949760330.db2.gz KJDHMJCKCIVCMB-VHSXEESVSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@@H]1CCCO1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574718154 949761844 /nfs/dbraw/zinc/76/18/44/949761844.db2.gz YUELAVSEHMUTRV-IUCAKERBSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@@H]1CCCO1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574718154 949761856 /nfs/dbraw/zinc/76/18/56/949761856.db2.gz YUELAVSEHMUTRV-IUCAKERBSA-N -1 1 385.881 1.805 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N1CCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001574137869 949774038 /nfs/dbraw/zinc/77/40/38/949774038.db2.gz YMAWZRJUWPUSTE-UONOGXRCSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N1CCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001574137869 949774049 /nfs/dbraw/zinc/77/40/49/949774049.db2.gz YMAWZRJUWPUSTE-UONOGXRCSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C1(F)CCOCC1 ZINC001573822196 949786964 /nfs/dbraw/zinc/78/69/64/949786964.db2.gz GIBGPDSLICVGBY-LLVKDONJSA-N -1 1 392.439 1.118 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C1(F)CCOCC1 ZINC001573822196 949786976 /nfs/dbraw/zinc/78/69/76/949786976.db2.gz GIBGPDSLICVGBY-LLVKDONJSA-N -1 1 392.439 1.118 20 0 GDADMM CC1(C(=O)N[C@H]2CCC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CC(F)(F)C1 ZINC001575561414 949805811 /nfs/dbraw/zinc/80/58/11/949805811.db2.gz AFZIZSHHUXQTQN-MNOVXSKESA-N -1 1 392.414 1.931 20 0 GDADMM CC1(C(=O)N[C@H]2CCC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CC(F)(F)C1 ZINC001575561414 949805835 /nfs/dbraw/zinc/80/58/35/949805835.db2.gz AFZIZSHHUXQTQN-MNOVXSKESA-N -1 1 392.414 1.931 20 0 GDADMM C[C@H](CC(=O)N1CC[C@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1)C1CC1 ZINC001574482001 949814340 /nfs/dbraw/zinc/81/43/40/949814340.db2.gz YMUMXUPNESVQBZ-YJYMSZOUSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H](CC(=O)N1CC[C@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1)C1CC1 ZINC001574482001 949814364 /nfs/dbraw/zinc/81/43/64/949814364.db2.gz YMUMXUPNESVQBZ-YJYMSZOUSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@]1(C(=O)NC2CCC(Nc3ccc(-c4nnn[n-]4)nn3)CC2)CCCOC1 ZINC001575562342 949823710 /nfs/dbraw/zinc/82/37/10/949823710.db2.gz FOHFZGPEJMAXPY-KJBLDROHSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@]1(C(=O)NC2CCC(Nc3ccc(-c4nn[n-]n4)nn3)CC2)CCCOC1 ZINC001575562342 949823723 /nfs/dbraw/zinc/82/37/23/949823723.db2.gz FOHFZGPEJMAXPY-KJBLDROHSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](NC(=O)COc1ccccc1F)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575282675 949842503 /nfs/dbraw/zinc/84/25/03/949842503.db2.gz LPIFQYZHVHQCKY-GHMZBOCLSA-N -1 1 386.391 1.180 20 0 GDADMM C[C@@H](NC(=O)COc1ccccc1F)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575282675 949842529 /nfs/dbraw/zinc/84/25/29/949842529.db2.gz LPIFQYZHVHQCKY-GHMZBOCLSA-N -1 1 386.391 1.180 20 0 GDADMM C[C@@H](CC(=O)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1)C(F)(F)F ZINC001574484033 949856539 /nfs/dbraw/zinc/85/65/39/949856539.db2.gz CRUOTEWJGZIYQC-JTQLQIEISA-N -1 1 384.366 1.284 20 0 GDADMM C[C@@H](CC(=O)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1)C(F)(F)F ZINC001574484033 949856548 /nfs/dbraw/zinc/85/65/48/949856548.db2.gz CRUOTEWJGZIYQC-JTQLQIEISA-N -1 1 384.366 1.284 20 0 GDADMM C[C@@H](CC(=O)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)c1ccccc1 ZINC001574484079 949859049 /nfs/dbraw/zinc/85/90/49/949859049.db2.gz SXJAMHOBUNFVPK-AWEZNQCLSA-N -1 1 378.440 1.499 20 0 GDADMM CC(C)(C)C1CC(C(=O)N[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001573825228 949866918 /nfs/dbraw/zinc/86/69/18/949866918.db2.gz NSBMRXQMLHFNDQ-RUXDESIVSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)C1CC(C(=O)N[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001573825228 949866942 /nfs/dbraw/zinc/86/69/42/949866942.db2.gz NSBMRXQMLHFNDQ-RUXDESIVSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)C1CC(C(=O)NC[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001573825414 949881894 /nfs/dbraw/zinc/88/18/94/949881894.db2.gz UWSRSXQTNRASNX-IYXRBSQSSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)(C)C1CC(C(=O)NC[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001573825414 949881920 /nfs/dbraw/zinc/88/19/20/949881920.db2.gz UWSRSXQTNRASNX-IYXRBSQSSA-N -1 1 384.488 1.672 20 0 GDADMM CC1(C(=O)N[C@H]2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CCOCC1 ZINC001575565976 949887214 /nfs/dbraw/zinc/88/72/14/949887214.db2.gz ZGGPJAMVWGWIMG-OLZOCXBDSA-N -1 1 386.460 1.313 20 0 GDADMM CC1(C(=O)N[C@H]2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CCOCC1 ZINC001575565976 949887231 /nfs/dbraw/zinc/88/72/31/949887231.db2.gz ZGGPJAMVWGWIMG-OLZOCXBDSA-N -1 1 386.460 1.313 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574143356 949891246 /nfs/dbraw/zinc/89/12/46/949891246.db2.gz GSOJSWJJLCUWLK-KGLIPLIRSA-N -1 1 388.476 1.193 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574143356 949891275 /nfs/dbraw/zinc/89/12/75/949891275.db2.gz GSOJSWJJLCUWLK-KGLIPLIRSA-N -1 1 388.476 1.193 20 0 GDADMM CC(C)(C)/C=C\C(=O)N1CCC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001573826920 949910993 /nfs/dbraw/zinc/91/09/93/949910993.db2.gz JJKYZKSXWHOVBU-LAYDCRAFSA-N -1 1 382.472 1.686 20 0 GDADMM CC(C)(C)/C=C\C(=O)N1CCC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001573826920 949911007 /nfs/dbraw/zinc/91/10/07/949911007.db2.gz JJKYZKSXWHOVBU-LAYDCRAFSA-N -1 1 382.472 1.686 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001574485229 949922364 /nfs/dbraw/zinc/92/23/64/949922364.db2.gz VLFNIHJHQZZXOS-HOCLYGCPSA-N -1 1 392.467 1.675 20 0 GDADMM CC(C)C[C@@H](C)Cn1c(=O)c(-c2nn[n-]n2)cn(CC(=O)OC(C)(C)C)c1=O ZINC001574144990 949923454 /nfs/dbraw/zinc/92/34/54/949923454.db2.gz RUYIUJABYQRIOH-GFCCVEGCSA-N -1 1 392.460 1.214 20 0 GDADMM C[C@H]1CCN(C(=O)C(C)(C)C2CC2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576179890 949930311 /nfs/dbraw/zinc/93/03/11/949930311.db2.gz MNPFEFUMYQFTFW-STQMWFEESA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H]1CCN(C(=O)C(C)(C)C2CC2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576179890 949930330 /nfs/dbraw/zinc/93/03/30/949930330.db2.gz MNPFEFUMYQFTFW-STQMWFEESA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)(C)[C@@H]1CCC[C@H](NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC1 ZINC001573828405 949934290 /nfs/dbraw/zinc/93/42/90/949934290.db2.gz SIXGVIAJFJYTBA-NEPJUHHUSA-N -1 1 389.460 1.240 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001574488027 949934559 /nfs/dbraw/zinc/93/45/59/949934559.db2.gz CELBPIALKRLMAE-HZSPNIEDSA-N -1 1 381.444 1.368 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001574488027 949934580 /nfs/dbraw/zinc/93/45/80/949934580.db2.gz CELBPIALKRLMAE-HZSPNIEDSA-N -1 1 381.444 1.368 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574146288 949938646 /nfs/dbraw/zinc/93/86/46/949938646.db2.gz XKTFUDZXODHJSF-KGLIPLIRSA-N -1 1 388.476 1.193 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574146288 949938658 /nfs/dbraw/zinc/93/86/58/949938658.db2.gz XKTFUDZXODHJSF-KGLIPLIRSA-N -1 1 388.476 1.193 20 0 GDADMM CC1(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2(C)C)CCCC1 ZINC001575570545 949939581 /nfs/dbraw/zinc/93/95/81/949939581.db2.gz RLPIIVSCWUYNAB-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2(C)C)CCCC1 ZINC001575570545 949939600 /nfs/dbraw/zinc/93/96/00/949939600.db2.gz RLPIIVSCWUYNAB-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574146307 949940843 /nfs/dbraw/zinc/94/08/43/949940843.db2.gz XVNXHBSIEMPAKK-IHRRRGAJSA-N -1 1 388.476 1.557 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574146307 949940865 /nfs/dbraw/zinc/94/08/65/949940865.db2.gz XVNXHBSIEMPAKK-IHRRRGAJSA-N -1 1 388.476 1.557 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2ccc(Cl)[nH]2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575890881 949969335 /nfs/dbraw/zinc/96/93/35/949969335.db2.gz AWCQTKZVUJGGLC-VHSXEESVSA-N -1 1 387.835 1.426 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2ccc(Cl)[nH]2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575890881 949969352 /nfs/dbraw/zinc/96/93/52/949969352.db2.gz AWCQTKZVUJGGLC-VHSXEESVSA-N -1 1 387.835 1.426 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(CCF)CC2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576180881 949974885 /nfs/dbraw/zinc/97/48/85/949974885.db2.gz FXSCSHDRBUPMPP-OLZOCXBDSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(CCF)CC2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576180881 949974896 /nfs/dbraw/zinc/97/48/96/949974896.db2.gz FXSCSHDRBUPMPP-OLZOCXBDSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@H](CC(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)C(F)(F)F ZINC001574490002 949975019 /nfs/dbraw/zinc/97/50/19/949975019.db2.gz MPIDGWFLWQWSLO-PSASIEDQSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](CC(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)C(F)(F)F ZINC001574490002 949975038 /nfs/dbraw/zinc/97/50/38/949975038.db2.gz MPIDGWFLWQWSLO-PSASIEDQSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1)c1ccco1 ZINC001574490147 949980029 /nfs/dbraw/zinc/98/00/29/949980029.db2.gz NNQABCOKLFIVMK-AVGNSLFASA-N -1 1 380.412 1.233 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1)c1ccco1 ZINC001574490147 949980043 /nfs/dbraw/zinc/98/00/43/949980043.db2.gz NNQABCOKLFIVMK-AVGNSLFASA-N -1 1 380.412 1.233 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cocn2)[C@@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576181217 949990487 /nfs/dbraw/zinc/99/04/87/949990487.db2.gz KVCRACKPQCGPKG-BXUZGUMPSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cocn2)[C@@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576181217 949990503 /nfs/dbraw/zinc/99/05/03/949990503.db2.gz KVCRACKPQCGPKG-BXUZGUMPSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@@H](NC(=O)Cc1ccccc1Cl)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575289821 950003999 /nfs/dbraw/zinc/00/39/99/950003999.db2.gz CDGFWYQRGWIYAM-WDEREUQCSA-N -1 1 386.847 1.858 20 0 GDADMM C[C@@H](NC(=O)Cc1ccccc1Cl)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575289821 950004018 /nfs/dbraw/zinc/00/40/18/950004018.db2.gz CDGFWYQRGWIYAM-WDEREUQCSA-N -1 1 386.847 1.858 20 0 GDADMM CC(C)(C)CC(=O)N[C@@H]1CC[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C1 ZINC001573834133 950015516 /nfs/dbraw/zinc/01/55/16/950015516.db2.gz GRTVAYLXPHTSSR-HZSPNIEDSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)CC(=O)N[C@@H]1CC[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C1 ZINC001573834133 950015540 /nfs/dbraw/zinc/01/55/40/950015540.db2.gz GRTVAYLXPHTSSR-HZSPNIEDSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ccc2c(c1)CCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574729047 950016452 /nfs/dbraw/zinc/01/64/52/950016452.db2.gz MZNUWZJERCVQIB-ZDUSSCGKSA-N -1 1 392.467 1.647 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ccc2c(c1)CCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574729047 950016475 /nfs/dbraw/zinc/01/64/75/950016475.db2.gz MZNUWZJERCVQIB-ZDUSSCGKSA-N -1 1 392.467 1.647 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1cc(C2CC2)no1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574729011 950017880 /nfs/dbraw/zinc/01/78/80/950017880.db2.gz MNTCDMKLWWNFCO-SNVBAGLBSA-N -1 1 383.416 1.024 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1cc(C2CC2)no1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574729011 950017902 /nfs/dbraw/zinc/01/79/02/950017902.db2.gz MNTCDMKLWWNFCO-SNVBAGLBSA-N -1 1 383.416 1.024 20 0 GDADMM CC(C)(C)CC(=O)N[C@@H]1CC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C1 ZINC001573834135 950019481 /nfs/dbraw/zinc/01/94/81/950019481.db2.gz GRTVAYLXPHTSSR-MELADBBJSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)CC(=O)N[C@@H]1CC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C1 ZINC001573834135 950019503 /nfs/dbraw/zinc/01/95/03/950019503.db2.gz GRTVAYLXPHTSSR-MELADBBJSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2ccccc2F)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575891659 950025193 /nfs/dbraw/zinc/02/51/93/950025193.db2.gz MKGTTWMXOOCGIV-FZMZJTMJSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccccc1 ZINC001574491217 950030786 /nfs/dbraw/zinc/03/07/86/950030786.db2.gz BEFUEILJMAUQAE-UKRRQHHQSA-N -1 1 378.440 1.545 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccccc1 ZINC001574491217 950030809 /nfs/dbraw/zinc/03/08/09/950030809.db2.gz BEFUEILJMAUQAE-UKRRQHHQSA-N -1 1 378.440 1.545 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2cccc(F)c2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575891843 950031421 /nfs/dbraw/zinc/03/14/21/950031421.db2.gz OHWDKHSQEZQIHJ-RISCZKNCSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2cccc(F)c2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575891843 950031432 /nfs/dbraw/zinc/03/14/32/950031432.db2.gz OHWDKHSQEZQIHJ-RISCZKNCSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2ccc(F)cc2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575891876 950036021 /nfs/dbraw/zinc/03/60/21/950036021.db2.gz ORVMYONGJADNEV-SMDDNHRTSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@@H]1CCN(C(=O)Cc2ccoc2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576182127 950041010 /nfs/dbraw/zinc/04/10/10/950041010.db2.gz LJHQOKLHLHAPRO-TZMCWYRMSA-N -1 1 382.428 1.389 20 0 GDADMM C[C@@H]1CCN(C(=O)Cc2ccoc2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576182127 950041033 /nfs/dbraw/zinc/04/10/33/950041033.db2.gz LJHQOKLHLHAPRO-TZMCWYRMSA-N -1 1 382.428 1.389 20 0 GDADMM C[C@@H]1CCN(C(=O)C(C)(C)C2CC2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576182315 950042164 /nfs/dbraw/zinc/04/21/64/950042164.db2.gz ZDIGWJQDLCWJGH-CHWSQXEVSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H]1CCN(C(=O)C(C)(C)C2CC2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576182315 950042190 /nfs/dbraw/zinc/04/21/90/950042190.db2.gz ZDIGWJQDLCWJGH-CHWSQXEVSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H]1CCN(C(=O)C(C)(C)C2CC2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576182319 950044695 /nfs/dbraw/zinc/04/46/95/950044695.db2.gz ZDIGWJQDLCWJGH-OLZOCXBDSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H]1CCN(C(=O)C(C)(C)C2CC2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576182319 950044725 /nfs/dbraw/zinc/04/47/25/950044725.db2.gz ZDIGWJQDLCWJGH-OLZOCXBDSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C)C1CC1 ZINC001574492128 950061219 /nfs/dbraw/zinc/06/12/19/950061219.db2.gz JNEOFRZTNCDXNR-SWLSCSKDSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C)C1CC1 ZINC001574492128 950061241 /nfs/dbraw/zinc/06/12/41/950061241.db2.gz JNEOFRZTNCDXNR-SWLSCSKDSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001574492079 950061813 /nfs/dbraw/zinc/06/18/13/950061813.db2.gz IVIKONCRIDOYBT-STQMWFEESA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001574492079 950061836 /nfs/dbraw/zinc/06/18/36/950061836.db2.gz IVIKONCRIDOYBT-STQMWFEESA-N -1 1 382.428 1.529 20 0 GDADMM CC(C)(C)CC(=O)NC[C@@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001573836135 950073036 /nfs/dbraw/zinc/07/30/36/950073036.db2.gz FVQFLGWNHFTOQV-GFCCVEGCSA-N -1 1 378.502 1.681 20 0 GDADMM CC(C)(C)CC(=O)NC[C@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001573836137 950075048 /nfs/dbraw/zinc/07/50/48/950075048.db2.gz FVQFLGWNHFTOQV-LBPRGKRZSA-N -1 1 378.502 1.681 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nn1)C1CCCCC1 ZINC001574492339 950076998 /nfs/dbraw/zinc/07/69/98/950076998.db2.gz AJQGHGLSTMTXEC-GXTWGEPZSA-N -1 1 388.476 1.152 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nn1)C1CCCCC1 ZINC001574492339 950077019 /nfs/dbraw/zinc/07/70/19/950077019.db2.gz AJQGHGLSTMTXEC-GXTWGEPZSA-N -1 1 388.476 1.152 20 0 GDADMM CC1(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)nn3)CCCC2)CC(F)(F)C1 ZINC001575577368 950078198 /nfs/dbraw/zinc/07/81/98/950078198.db2.gz VHXDCBQCOMAZDA-UHFFFAOYSA-N -1 1 392.414 1.933 20 0 GDADMM CC1(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)nn3)CCCC2)CC(F)(F)C1 ZINC001575577368 950078221 /nfs/dbraw/zinc/07/82/21/950078221.db2.gz VHXDCBQCOMAZDA-UHFFFAOYSA-N -1 1 392.414 1.933 20 0 GDADMM C[C@@H]1CCN(C(=O)CCC(F)F)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576183610 950096658 /nfs/dbraw/zinc/09/66/58/950096658.db2.gz QPPZRVSSCALZKG-GHMZBOCLSA-N -1 1 380.403 1.020 20 0 GDADMM C[C@H](CN(C)C(=O)Nc1ccnc(-c2nnn[n-]2)c1)NC(=O)OC(C)(C)C ZINC001574733279 950106885 /nfs/dbraw/zinc/10/68/85/950106885.db2.gz XNLJYAYBGPVLEZ-SNVBAGLBSA-N -1 1 376.421 1.639 20 0 GDADMM C[C@H](CN(C)C(=O)Nc1ccnc(-c2nn[n-]n2)c1)NC(=O)OC(C)(C)C ZINC001574733279 950106896 /nfs/dbraw/zinc/10/68/96/950106896.db2.gz XNLJYAYBGPVLEZ-SNVBAGLBSA-N -1 1 376.421 1.639 20 0 GDADMM CC(C)(C)CC(=O)NC[C@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001573838422 950110551 /nfs/dbraw/zinc/11/05/51/950110551.db2.gz CUKDLHBXMCOSCQ-AUUYWEPGSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C)CC(=O)NC[C@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001573838422 950110563 /nfs/dbraw/zinc/11/05/63/950110563.db2.gz CUKDLHBXMCOSCQ-AUUYWEPGSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cncs2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576184046 950114823 /nfs/dbraw/zinc/11/48/23/950114823.db2.gz VKPJNZNBEHWVKS-ZYHUDNBSSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cncs2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576184046 950114859 /nfs/dbraw/zinc/11/48/59/950114859.db2.gz VKPJNZNBEHWVKS-ZYHUDNBSSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@]1(C)c1ccccc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574734261 950131741 /nfs/dbraw/zinc/13/17/41/950131741.db2.gz LLORDIGLLJQREM-IAMHBRQHSA-N -1 1 392.467 1.893 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@]1(C)c1ccccc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574734261 950131747 /nfs/dbraw/zinc/13/17/47/950131747.db2.gz LLORDIGLLJQREM-IAMHBRQHSA-N -1 1 392.467 1.893 20 0 GDADMM CC(C)(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001573839856 950133755 /nfs/dbraw/zinc/13/37/55/950133755.db2.gz XZMTVNOMJSEYAJ-BTTYYORXSA-N -1 1 384.488 1.957 20 0 GDADMM CC(C)(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001573839856 950133767 /nfs/dbraw/zinc/13/37/67/950133767.db2.gz XZMTVNOMJSEYAJ-BTTYYORXSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@]1(C(=O)NCC2(Nc3cncc(-c4nnn[n-]4)n3)CCCCC2)CCOC1 ZINC001575583107 950137260 /nfs/dbraw/zinc/13/72/60/950137260.db2.gz OHXLSCAUTQUAEA-KRWDZBQOSA-N -1 1 386.460 1.314 20 0 GDADMM C[C@]1(C(=O)NCC2(Nc3cncc(-c4nn[n-]n4)n3)CCCCC2)CCOC1 ZINC001575583107 950137283 /nfs/dbraw/zinc/13/72/83/950137283.db2.gz OHXLSCAUTQUAEA-KRWDZBQOSA-N -1 1 386.460 1.314 20 0 GDADMM C[C@@]1(C(=O)NCC2(Nc3snc(Cl)c3-c3nnn[n-]3)CC2)CCOC1 ZINC001575583038 950138772 /nfs/dbraw/zinc/13/87/72/950138772.db2.gz OARUFJISVBMKNM-CYBMUJFWSA-N -1 1 383.865 1.464 20 0 GDADMM C[C@@]1(C(=O)NCC2(Nc3snc(Cl)c3-c3nn[n-]n3)CC2)CCOC1 ZINC001575583038 950138790 /nfs/dbraw/zinc/13/87/90/950138790.db2.gz OARUFJISVBMKNM-CYBMUJFWSA-N -1 1 383.865 1.464 20 0 GDADMM CC1(C(=O)NCC2(Nc3nccnc3-c3nnn[n-]3)CCOCC2)CCCC1 ZINC001575583116 950139129 /nfs/dbraw/zinc/13/91/29/950139129.db2.gz OMIZZSAJPIMADF-UHFFFAOYSA-N -1 1 386.460 1.314 20 0 GDADMM CC1(C(=O)NCC2(Nc3nccnc3-c3nn[n-]n3)CCOCC2)CCCC1 ZINC001575583116 950139141 /nfs/dbraw/zinc/13/91/41/950139141.db2.gz OMIZZSAJPIMADF-UHFFFAOYSA-N -1 1 386.460 1.314 20 0 GDADMM C[C@H](CN(C)C(=O)[C@]12C[C@H]1COC2)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574734980 950153644 /nfs/dbraw/zinc/15/36/44/950153644.db2.gz WMKCQQRVYCKFPR-KXEKKFMESA-N -1 1 383.865 1.272 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccco2)[C@@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576185061 950157123 /nfs/dbraw/zinc/15/71/23/950157123.db2.gz ZGPUMAMPUKMNRS-CHWSQXEVSA-N -1 1 382.428 1.415 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccsc2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576190532 950165036 /nfs/dbraw/zinc/16/50/36/950165036.db2.gz AIUPMHQLANMWRE-YPMHNXCESA-N -1 1 384.469 1.929 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccsc2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576190532 950165045 /nfs/dbraw/zinc/16/50/45/950165045.db2.gz AIUPMHQLANMWRE-YPMHNXCESA-N -1 1 384.469 1.929 20 0 GDADMM CC(C)(C)CC(C)(C)C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001573843345 950173879 /nfs/dbraw/zinc/17/38/79/950173879.db2.gz VJNCPFWYPJVNHP-JYAVWHMHSA-N -1 1 384.488 1.670 20 0 GDADMM CC(C)(C)CC(C)(C)C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001573843345 950173890 /nfs/dbraw/zinc/17/38/90/950173890.db2.gz VJNCPFWYPJVNHP-JYAVWHMHSA-N -1 1 384.488 1.670 20 0 GDADMM CC(C)[C@H](CNC(=O)C[C@@H](C)c1ccco1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574494618 950175102 /nfs/dbraw/zinc/17/51/02/950175102.db2.gz LYVZTOUPXCGVIX-OLZOCXBDSA-N -1 1 384.444 1.996 20 0 GDADMM CC(C)[C@H](CNC(=O)C[C@@H](C)c1ccco1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574494618 950175120 /nfs/dbraw/zinc/17/51/20/950175120.db2.gz LYVZTOUPXCGVIX-OLZOCXBDSA-N -1 1 384.444 1.996 20 0 GDADMM C[C@H](CC(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1)c1ccncc1 ZINC001574495280 950199165 /nfs/dbraw/zinc/19/91/65/950199165.db2.gz RWQFAUCCEDLVMW-GFCCVEGCSA-N -1 1 383.481 1.817 20 0 GDADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CSC(C)C ZINC001574155820 950210358 /nfs/dbraw/zinc/21/03/58/950210358.db2.gz RXVNJVIPRHGLRL-GFCCVEGCSA-N -1 1 378.506 1.163 20 0 GDADMM C[C@H]1CCN(C(=O)c2nccs2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576192064 950223799 /nfs/dbraw/zinc/22/37/99/950223799.db2.gz JSWMDHWPALABNJ-WDEREUQCSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H]1CCN(C(=O)c2nccs2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576192064 950223821 /nfs/dbraw/zinc/22/38/21/950223821.db2.gz JSWMDHWPALABNJ-WDEREUQCSA-N -1 1 385.457 1.324 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573846491 950250802 /nfs/dbraw/zinc/25/08/02/950250802.db2.gz RYFPPOFSGLQNMY-MELADBBJSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573846491 950250821 /nfs/dbraw/zinc/25/08/21/950250821.db2.gz RYFPPOFSGLQNMY-MELADBBJSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@H](CC(=O)NC[C@]1(C)CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1CC1 ZINC001574498056 950254316 /nfs/dbraw/zinc/25/43/16/950254316.db2.gz JDFHECQMQMHICW-YJYMSZOUSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](CC(=O)NC[C@]1(C)CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1CC1 ZINC001574498056 950254336 /nfs/dbraw/zinc/25/43/36/950254336.db2.gz JDFHECQMQMHICW-YJYMSZOUSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCC1)C(F)(F)F ZINC001574498097 950258546 /nfs/dbraw/zinc/25/85/46/950258546.db2.gz JXBMWRCNNYJVRM-SECBINFHSA-N -1 1 384.366 1.118 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1)c1ccccc1 ZINC001574498212 950265978 /nfs/dbraw/zinc/26/59/78/950265978.db2.gz LEWSONDQFKEQCV-ZDUSSCGKSA-N -1 1 378.440 1.911 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1)c1ccccc1 ZINC001574498212 950266001 /nfs/dbraw/zinc/26/60/01/950266001.db2.gz LEWSONDQFKEQCV-ZDUSSCGKSA-N -1 1 378.440 1.911 20 0 GDADMM CN(Cc1ccccc1)CC(C)(C)NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000379618422 971649104 /nfs/dbraw/zinc/64/91/04/971649104.db2.gz OUJJLUGDVUOKMS-UHFFFAOYSA-N -1 1 379.482 1.912 20 0 GDADMM C[C@H](CC(=O)NC[C@H](O)CNc1nc(-c2nn[n-]n2)c(Cl)s1)C1CC1 ZINC001574498517 950281988 /nfs/dbraw/zinc/28/19/88/950281988.db2.gz OMWATBMNCYBVBO-APPZFPTMSA-N -1 1 385.881 1.302 20 0 GDADMM CC(C)(C)OC(=O)COc1ccc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)cc1 ZINC001573851468 950293044 /nfs/dbraw/zinc/29/30/44/950293044.db2.gz YZHQZOCSBKVDHT-UHFFFAOYSA-N -1 1 385.384 1.563 20 0 GDADMM CC(C)(C)OC(=O)COc1ccc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)cc1 ZINC001573851468 950293061 /nfs/dbraw/zinc/29/30/61/950293061.db2.gz YZHQZOCSBKVDHT-UHFFFAOYSA-N -1 1 385.384 1.563 20 0 GDADMM CC(C)(C)OC(=O)C1(C(=O)n2ncc(-c3nn[n-]n3)c2N)CCSCC1 ZINC001573851470 950293620 /nfs/dbraw/zinc/29/36/20/950293620.db2.gz ZAPUNRYAYQKARI-UHFFFAOYSA-N -1 1 379.446 1.141 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1)c1ccncc1 ZINC001574499467 950301433 /nfs/dbraw/zinc/30/14/33/950301433.db2.gz WEIIICPRQZGKAX-GFCCVEGCSA-N -1 1 379.428 1.306 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1)c1ccncc1 ZINC001574499467 950301449 /nfs/dbraw/zinc/30/14/49/950301449.db2.gz WEIIICPRQZGKAX-GFCCVEGCSA-N -1 1 379.428 1.306 20 0 GDADMM CC1(C(=O)NCC[C@H](Cc2ccccc2)Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001575593030 950302408 /nfs/dbraw/zinc/30/24/08/950302408.db2.gz FCXKMQSBTQEKIB-OAHLLOKOSA-N -1 1 392.467 1.986 20 0 GDADMM CC1(C(=O)NCC[C@H](Cc2ccccc2)Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001575593030 950302429 /nfs/dbraw/zinc/30/24/29/950302429.db2.gz FCXKMQSBTQEKIB-OAHLLOKOSA-N -1 1 392.467 1.986 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@@H](CCC(=O)Nc2n[nH]cc2-c2nnn[n-]2)C1 ZINC001573853211 950321139 /nfs/dbraw/zinc/32/11/39/950321139.db2.gz OGOMFODVMJXDGH-NSHDSACASA-N -1 1 390.448 1.956 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@@H](CCC(=O)Nc2n[nH]cc2-c2nn[n-]n2)C1 ZINC001573853211 950321163 /nfs/dbraw/zinc/32/11/63/950321163.db2.gz OGOMFODVMJXDGH-NSHDSACASA-N -1 1 390.448 1.956 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001574501276 950324792 /nfs/dbraw/zinc/32/47/92/950324792.db2.gz CKQSECHUXCSXSO-UWVGGRQHSA-N -1 1 384.366 1.330 20 0 GDADMM CC1(C(=O)NCC[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CC(F)(F)C1 ZINC001575593995 950325602 /nfs/dbraw/zinc/32/56/02/950325602.db2.gz QWFQTDSVVUIZKB-LLVKDONJSA-N -1 1 392.414 1.425 20 0 GDADMM CC1(C(=O)NCC[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CC(F)(F)C1 ZINC001575593995 950325617 /nfs/dbraw/zinc/32/56/17/950325617.db2.gz QWFQTDSVVUIZKB-LLVKDONJSA-N -1 1 392.414 1.425 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCc1ccoc1 ZINC001574160636 950340737 /nfs/dbraw/zinc/34/07/37/950340737.db2.gz PPVRYLIGAMSFKW-CQSZACIVSA-N -1 1 384.444 1.825 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCc1ccoc1 ZINC001574160636 950340750 /nfs/dbraw/zinc/34/07/50/950340750.db2.gz PPVRYLIGAMSFKW-CQSZACIVSA-N -1 1 384.444 1.825 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC001574501928 950348130 /nfs/dbraw/zinc/34/81/30/950348130.db2.gz HOCZNBYTNWXJDV-HOCLYGCPSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC001574501928 950348149 /nfs/dbraw/zinc/34/81/49/950348149.db2.gz HOCZNBYTNWXJDV-HOCLYGCPSA-N -1 1 392.467 1.936 20 0 GDADMM CC1(C(=O)NC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CCC2(F)F)CC1 ZINC001575594988 950348554 /nfs/dbraw/zinc/34/85/54/950348554.db2.gz MNNJQCKZHPAEMX-SNVBAGLBSA-N -1 1 378.387 1.035 20 0 GDADMM CC1(C(=O)NC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CCC2(F)F)CC1 ZINC001575594988 950348570 /nfs/dbraw/zinc/34/85/70/950348570.db2.gz MNNJQCKZHPAEMX-SNVBAGLBSA-N -1 1 378.387 1.035 20 0 GDADMM CC1(C(=O)NC[C@H]2c3ccccc3CCN2c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575595128 950352553 /nfs/dbraw/zinc/35/25/53/950352553.db2.gz NDRQJQBNIBXWHF-INIZCTEOSA-N -1 1 390.451 1.677 20 0 GDADMM CC1(C(=O)NC[C@H]2c3ccccc3CCN2c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575595128 950352574 /nfs/dbraw/zinc/35/25/74/950352574.db2.gz NDRQJQBNIBXWHF-INIZCTEOSA-N -1 1 390.451 1.677 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@]1(C)CCCOC1 ZINC001574161302 950355085 /nfs/dbraw/zinc/35/50/85/950355085.db2.gz SMLYCEDNTGQSNB-SCLBCKFNSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@]1(C)CCCOC1 ZINC001574161302 950355103 /nfs/dbraw/zinc/35/51/03/950355103.db2.gz SMLYCEDNTGQSNB-SCLBCKFNSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001574502838 950389468 /nfs/dbraw/zinc/38/94/68/950389468.db2.gz QXBKUIXHPNIISO-ZJUUUORDSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574502838 950389488 /nfs/dbraw/zinc/38/94/88/950389488.db2.gz QXBKUIXHPNIISO-ZJUUUORDSA-N -1 1 384.366 1.188 20 0 GDADMM CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001573857030 950397619 /nfs/dbraw/zinc/39/76/19/950397619.db2.gz LCZVSTHWUZNEMM-JLLWLGSASA-N -1 1 390.469 1.942 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)n1cccc1 ZINC001574503080 950399864 /nfs/dbraw/zinc/39/98/64/950399864.db2.gz SZFDGHDIMGVLDF-ZIAGYGMSSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)n1cccc1 ZINC001574503080 950399877 /nfs/dbraw/zinc/39/98/77/950399877.db2.gz SZFDGHDIMGVLDF-ZIAGYGMSSA-N -1 1 381.444 1.195 20 0 GDADMM CC(C)(C)OC(=O)N1CCO[C@@](C)(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573857064 950399672 /nfs/dbraw/zinc/39/96/72/950399672.db2.gz MSIJQJGRWGJFKD-INIZCTEOSA-N -1 1 376.421 1.095 20 0 GDADMM CC(C)(C)OC(=O)N1CCO[C@@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573857064 950399691 /nfs/dbraw/zinc/39/96/91/950399691.db2.gz MSIJQJGRWGJFKD-INIZCTEOSA-N -1 1 376.421 1.095 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1ncccc1F ZINC001574162759 950399824 /nfs/dbraw/zinc/39/98/24/950399824.db2.gz IQRBDWMEDUUXTH-LLVKDONJSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1ncccc1F ZINC001574162759 950399852 /nfs/dbraw/zinc/39/98/52/950399852.db2.gz IQRBDWMEDUUXTH-LLVKDONJSA-N -1 1 385.407 1.447 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccccc1 ZINC001574503485 950412067 /nfs/dbraw/zinc/41/20/67/950412067.db2.gz XDLGOWFPZDUXSK-CABCVRRESA-N -1 1 392.467 1.793 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccccc1 ZINC001574503485 950412079 /nfs/dbraw/zinc/41/20/79/950412079.db2.gz XDLGOWFPZDUXSK-CABCVRRESA-N -1 1 392.467 1.793 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H](C)c1ccco1 ZINC001574163762 950430804 /nfs/dbraw/zinc/43/08/04/950430804.db2.gz XQVQNFWAIGSSFU-OLZOCXBDSA-N -1 1 384.444 1.996 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H](C)c1ccco1 ZINC001574163762 950430816 /nfs/dbraw/zinc/43/08/16/950430816.db2.gz XQVQNFWAIGSSFU-OLZOCXBDSA-N -1 1 384.444 1.996 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001573861038 950437117 /nfs/dbraw/zinc/43/71/17/950437117.db2.gz PXSQYFJTFLFANA-CHWSQXEVSA-N -1 1 387.444 1.827 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001573861038 950437135 /nfs/dbraw/zinc/43/71/35/950437135.db2.gz PXSQYFJTFLFANA-CHWSQXEVSA-N -1 1 387.444 1.827 20 0 GDADMM CC(C)(C)OC(=O)NCC(C)(C)C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001573861330 950445516 /nfs/dbraw/zinc/44/55/16/950445516.db2.gz YQSORPLDBICCRT-UHFFFAOYSA-N -1 1 381.462 1.490 20 0 GDADMM CC(C)(C)OC(=O)NCC(C)(C)C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001573861330 950445531 /nfs/dbraw/zinc/44/55/31/950445531.db2.gz YQSORPLDBICCRT-UHFFFAOYSA-N -1 1 381.462 1.490 20 0 GDADMM CC(C)(C)OC(=O)NC1(CC(=O)NCc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001573861274 950446865 /nfs/dbraw/zinc/44/68/65/950446865.db2.gz WJXAWQUVLKVHAS-UHFFFAOYSA-N -1 1 378.458 1.992 20 0 GDADMM CC(C)CC1(C(=O)NC[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CCC1 ZINC001574165345 950447572 /nfs/dbraw/zinc/44/75/72/950447572.db2.gz DJMSCPGOTUBEQH-AWEZNQCLSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)CC1(C(=O)NC[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CCC1 ZINC001574165345 950447574 /nfs/dbraw/zinc/44/75/74/950447574.db2.gz DJMSCPGOTUBEQH-AWEZNQCLSA-N -1 1 384.488 1.816 20 0 GDADMM Cc1nc([C@H]2CCCN(C(=O)C3=NN(c4ccccc4)[C@@H](C(=O)[O-])C3)C2)n[nH]1 ZINC000263415868 950449289 /nfs/dbraw/zinc/44/92/89/950449289.db2.gz JXNKTMUGVKGAHI-XJKSGUPXSA-N -1 1 382.424 1.539 20 0 GDADMM CC(C)CC1(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C)CCC1 ZINC001574165780 950450403 /nfs/dbraw/zinc/45/04/03/950450403.db2.gz IFVRVPREIIRCGH-UKRRQHHQSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)CC1(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C)CCC1 ZINC001574165780 950450416 /nfs/dbraw/zinc/45/04/16/950450416.db2.gz IFVRVPREIIRCGH-UKRRQHHQSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)OC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001573861801 950455845 /nfs/dbraw/zinc/45/58/45/950455845.db2.gz HDXAVPYWKAPGKO-SNVBAGLBSA-N -1 1 383.430 1.202 20 0 GDADMM CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001573861933 950456880 /nfs/dbraw/zinc/45/68/80/950456880.db2.gz LHLBTDBOUHGPGD-HAQNSBGRSA-N -1 1 387.444 1.827 20 0 GDADMM CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001573861933 950456890 /nfs/dbraw/zinc/45/68/90/950456890.db2.gz LHLBTDBOUHGPGD-HAQNSBGRSA-N -1 1 387.444 1.827 20 0 GDADMM CC1(C(=O)N[C@H]2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)CC2)CCOCC1 ZINC001575605286 950459986 /nfs/dbraw/zinc/45/99/86/950459986.db2.gz FKTKAJMNXDOVGN-JOCQHMNTSA-N -1 1 386.460 1.313 20 0 GDADMM CC1(C(=O)N[C@H]2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)CC2)CCOCC1 ZINC001575605286 950460011 /nfs/dbraw/zinc/46/00/11/950460011.db2.gz FKTKAJMNXDOVGN-JOCQHMNTSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc(Cl)cn1C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574751522 950460937 /nfs/dbraw/zinc/46/09/37/950460937.db2.gz OXGKXDMSJGIPPO-SECBINFHSA-N -1 1 375.824 1.221 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc(Cl)cn1C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574751522 950460948 /nfs/dbraw/zinc/46/09/48/950460948.db2.gz OXGKXDMSJGIPPO-SECBINFHSA-N -1 1 375.824 1.221 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc(Cl)ccc1F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574751651 950461905 /nfs/dbraw/zinc/46/19/05/950461905.db2.gz PVRHQJJGCPZNEB-SECBINFHSA-N -1 1 390.810 1.444 20 0 GDADMM C[C@@H](CC(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1)c1cccc(F)c1 ZINC001574507703 950463481 /nfs/dbraw/zinc/46/34/81/950463481.db2.gz HNRMJOOWSPKVAY-LBPRGKRZSA-N -1 1 384.419 1.542 20 0 GDADMM C[C@@H](CC(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1)c1cccc(F)c1 ZINC001574507703 950463498 /nfs/dbraw/zinc/46/34/98/950463498.db2.gz HNRMJOOWSPKVAY-LBPRGKRZSA-N -1 1 384.419 1.542 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)[C@@H]1CCCO1 ZINC001574508095 950469039 /nfs/dbraw/zinc/46/90/39/950469039.db2.gz MKNZXWPJZNSKTQ-SYQHCUMBSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)[C@@H]1CCCO1 ZINC001574508095 950469053 /nfs/dbraw/zinc/46/90/53/950469053.db2.gz MKNZXWPJZNSKTQ-SYQHCUMBSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc2c(c1)CCCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574752309 950476331 /nfs/dbraw/zinc/47/63/31/950476331.db2.gz AMDMQNQFSSQHQR-CYBMUJFWSA-N -1 1 392.467 1.530 20 0 GDADMM CC(C)(C)OC(=O)[C@@]12COC[C@@H]1CN(C(=O)c1csc(-c3nn[n-]n3)c1)C2 ZINC001573864114 950497752 /nfs/dbraw/zinc/49/77/52/950497752.db2.gz ZQDIGKQBDUQZGG-GTNSWQLSSA-N -1 1 391.453 1.359 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cc(Cl)no1 ZINC001575914647 950499742 /nfs/dbraw/zinc/49/97/42/950499742.db2.gz LQVJQJYTVRKUQF-JGVFFNPUSA-N -1 1 375.780 1.013 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cc(Cl)no1 ZINC001575914647 950499757 /nfs/dbraw/zinc/49/97/57/950499757.db2.gz LQVJQJYTVRKUQF-JGVFFNPUSA-N -1 1 375.780 1.013 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc2cccnc2n1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574753344 950521912 /nfs/dbraw/zinc/52/19/12/950521912.db2.gz KXMBTJGSVKJDCL-LLVKDONJSA-N -1 1 390.411 1.173 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc2cccnc2n1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574753344 950521928 /nfs/dbraw/zinc/52/19/28/950521928.db2.gz KXMBTJGSVKJDCL-LLVKDONJSA-N -1 1 390.411 1.173 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001574509698 950526480 /nfs/dbraw/zinc/52/64/80/950526480.db2.gz XPHHNWHXZMGQNY-GARJFASQSA-N -1 1 398.393 1.942 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001574509698 950526494 /nfs/dbraw/zinc/52/64/94/950526494.db2.gz XPHHNWHXZMGQNY-GARJFASQSA-N -1 1 398.393 1.942 20 0 GDADMM C[C@@H](CNC(=O)c1cc(C(C)(C)C)on1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574996368 950527030 /nfs/dbraw/zinc/52/70/30/950527030.db2.gz LUMQXKPFKOKKBQ-SNVBAGLBSA-N -1 1 385.432 1.420 20 0 GDADMM C[C@@H](CNC(=O)c1cc(C(C)(C)C)on1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574996368 950527052 /nfs/dbraw/zinc/52/70/52/950527052.db2.gz LUMQXKPFKOKKBQ-SNVBAGLBSA-N -1 1 385.432 1.420 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CCCC1 ZINC001573869487 950565906 /nfs/dbraw/zinc/56/59/06/950565906.db2.gz PSEYBMSQYXXKHQ-AWEZNQCLSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CCCC1 ZINC001573869487 950565920 /nfs/dbraw/zinc/56/59/20/950565920.db2.gz PSEYBMSQYXXKHQ-AWEZNQCLSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)cn1C)CNc1nccnc1-c1nnn[n-]1 ZINC001574999036 950567183 /nfs/dbraw/zinc/56/71/83/950567183.db2.gz DMMCMKQPQSEOAB-SECBINFHSA-N -1 1 375.824 1.127 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)cn1C)CNc1nccnc1-c1nn[n-]n1 ZINC001574999036 950567212 /nfs/dbraw/zinc/56/72/12/950567212.db2.gz DMMCMKQPQSEOAB-SECBINFHSA-N -1 1 375.824 1.127 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C)c1ccccc1 ZINC001574511997 950581197 /nfs/dbraw/zinc/58/11/97/950581197.db2.gz ZBQPEWWEGRTEGJ-JJRVBVJISA-N -1 1 392.467 1.791 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C)c1ccccc1 ZINC001574511997 950581220 /nfs/dbraw/zinc/58/12/20/950581220.db2.gz ZBQPEWWEGRTEGJ-JJRVBVJISA-N -1 1 392.467 1.791 20 0 GDADMM C[C@@H](CNC(=O)c1cc(C(F)F)ccc1F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574999768 950587651 /nfs/dbraw/zinc/58/76/51/950587651.db2.gz NBQJTQOKKBPCJT-QMMMGPOBSA-N -1 1 392.345 1.964 20 0 GDADMM C[C@@H](CNC(=O)c1cc(C(F)F)ccc1F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574999768 950587671 /nfs/dbraw/zinc/58/76/71/950587671.db2.gz NBQJTQOKKBPCJT-QMMMGPOBSA-N -1 1 392.345 1.964 20 0 GDADMM CC(C)CCC(=O)N1CCC[C@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001574172927 950588797 /nfs/dbraw/zinc/58/87/97/950588797.db2.gz CQECOZNPKLDGHA-LJQANCHMSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)CCC(=O)N1CCC[C@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001574172927 950588810 /nfs/dbraw/zinc/58/88/10/950588810.db2.gz CQECOZNPKLDGHA-LJQANCHMSA-N -1 1 384.488 1.912 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)NC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575616907 950590652 /nfs/dbraw/zinc/59/06/52/950590652.db2.gz UBBWFYVYJBDWOB-GFCCVEGCSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)NC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575616907 950590663 /nfs/dbraw/zinc/59/06/63/950590663.db2.gz UBBWFYVYJBDWOB-GFCCVEGCSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](CNC(=O)c1cc2c(s1)CCC2)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575000058 950593340 /nfs/dbraw/zinc/59/33/40/950593340.db2.gz ADEYIYQWBMZDCD-JTQLQIEISA-N -1 1 384.469 1.462 20 0 GDADMM CC(C)(C)OCC(=O)NCCC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573870917 950603508 /nfs/dbraw/zinc/60/35/08/950603508.db2.gz KHVXFRBEFTZFRQ-UHFFFAOYSA-N -1 1 388.476 1.195 20 0 GDADMM CC(C)(C)OCC(=O)NCCC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573870917 950603521 /nfs/dbraw/zinc/60/35/21/950603521.db2.gz KHVXFRBEFTZFRQ-UHFFFAOYSA-N -1 1 388.476 1.195 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C(C)(C)C ZINC001573870881 950603674 /nfs/dbraw/zinc/60/36/74/950603674.db2.gz ZBQWLADKSNESQC-GFCCVEGCSA-N -1 1 376.465 1.415 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C(C)(C)C ZINC001573870881 950603689 /nfs/dbraw/zinc/60/36/89/950603689.db2.gz ZBQWLADKSNESQC-GFCCVEGCSA-N -1 1 376.465 1.415 20 0 GDADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc2ccccc2o1 ZINC001575919073 950605731 /nfs/dbraw/zinc/60/57/31/950605731.db2.gz FWQHYRZBEPEOHJ-AAEUAGOBSA-N -1 1 390.407 1.540 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)cc(Cl)c1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575000527 950609141 /nfs/dbraw/zinc/60/91/41/950609141.db2.gz FEFZGFXSPMBSKY-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CN(C)C(=O)c1cccnc1C(F)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574758372 950609537 /nfs/dbraw/zinc/60/95/37/950609537.db2.gz BKPOMSWMGAMFQC-SECBINFHSA-N -1 1 389.370 1.562 20 0 GDADMM C[C@H](CN(C)C(=O)c1cccnc1C(F)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574758372 950609547 /nfs/dbraw/zinc/60/95/47/950609547.db2.gz BKPOMSWMGAMFQC-SECBINFHSA-N -1 1 389.370 1.562 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccc(CF)cc1 ZINC001575919611 950615177 /nfs/dbraw/zinc/61/51/77/950615177.db2.gz IIXWBRTUPWFNIE-SMDDNHRTSA-N -1 1 382.403 1.841 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccc(CF)cc1 ZINC001575919611 950615191 /nfs/dbraw/zinc/61/51/91/950615191.db2.gz IIXWBRTUPWFNIE-SMDDNHRTSA-N -1 1 382.403 1.841 20 0 GDADMM CC1(C)C(C(=O)N2CCCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)C1(C)C ZINC001575619282 950617036 /nfs/dbraw/zinc/61/70/36/950617036.db2.gz NQHMRWRGADFYGF-GFCCVEGCSA-N -1 1 384.488 1.554 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cccnn1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574758968 950621212 /nfs/dbraw/zinc/62/12/12/950621212.db2.gz IJZRUSRQDREERI-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cccnn1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574758968 950621224 /nfs/dbraw/zinc/62/12/24/950621224.db2.gz IJZRUSRQDREERI-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)c(Cl)[nH]1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575001131 950622963 /nfs/dbraw/zinc/62/29/63/950622963.db2.gz SWRYSJBINKLEDF-LURJTMIESA-N -1 1 382.215 1.522 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)c(Cl)[nH]1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575001131 950622984 /nfs/dbraw/zinc/62/29/84/950622984.db2.gz SWRYSJBINKLEDF-LURJTMIESA-N -1 1 382.215 1.522 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccn(C)c1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574759196 950631631 /nfs/dbraw/zinc/63/16/31/950631631.db2.gz LSQXCKFGAPEWTF-QMMMGPOBSA-N -1 1 380.865 1.888 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccn(C)c1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574759196 950631641 /nfs/dbraw/zinc/63/16/41/950631641.db2.gz LSQXCKFGAPEWTF-QMMMGPOBSA-N -1 1 380.865 1.888 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)[C@@H]1CCCO1 ZINC001574515719 950633070 /nfs/dbraw/zinc/63/30/70/950633070.db2.gz GANMWSJMZIELAM-ABHRYQDASA-N -1 1 386.460 1.169 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)[C@@H]1CCCO1 ZINC001574515719 950633082 /nfs/dbraw/zinc/63/30/82/950633082.db2.gz GANMWSJMZIELAM-ABHRYQDASA-N -1 1 386.460 1.169 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001574517683 950644986 /nfs/dbraw/zinc/64/49/86/950644986.db2.gz LHOAWEWSZPJWCO-OPRDCNLKSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001574517683 950645005 /nfs/dbraw/zinc/64/50/05/950645005.db2.gz LHOAWEWSZPJWCO-OPRDCNLKSA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573873375 950646467 /nfs/dbraw/zinc/64/64/67/950646467.db2.gz LVVRJZDVQXQQKH-QMMMGPOBSA-N -1 1 385.881 1.487 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccnn1C1CCC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574760180 950654747 /nfs/dbraw/zinc/65/47/47/950654747.db2.gz HBAUDRKURCEVER-NSHDSACASA-N -1 1 382.432 1.151 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccnn1C1CCC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574760180 950654756 /nfs/dbraw/zinc/65/47/56/950654756.db2.gz HBAUDRKURCEVER-NSHDSACASA-N -1 1 382.432 1.151 20 0 GDADMM CC1(C)[C@H](NC(=O)CCCF)[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)[C@@H]21 ZINC001575625340 950682369 /nfs/dbraw/zinc/68/23/69/950682369.db2.gz QQQBSGQRGYKYLI-XZJROXQQSA-N -1 1 388.451 1.516 20 0 GDADMM CC1(C)[C@H](NC(=O)CCCF)[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)[C@@H]21 ZINC001575625340 950682382 /nfs/dbraw/zinc/68/23/82/950682382.db2.gz QQQBSGQRGYKYLI-XZJROXQQSA-N -1 1 388.451 1.516 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C(C)(F)F)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576214754 950684671 /nfs/dbraw/zinc/68/46/71/950684671.db2.gz CALXQJFKYZZMLH-NXEZZACHSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C(C)(F)F)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576214754 950684680 /nfs/dbraw/zinc/68/46/80/950684680.db2.gz CALXQJFKYZZMLH-NXEZZACHSA-N -1 1 380.403 1.597 20 0 GDADMM CC1(C)[C@H](NC(=O)C2CCC2)[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)[C@@H]21 ZINC001575625578 950692473 /nfs/dbraw/zinc/69/24/73/950692473.db2.gz SEUMGYIOYKMSPW-MAZHCROVSA-N -1 1 382.472 1.566 20 0 GDADMM CC1(C)[C@H](NC(=O)C2CCC2)[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)[C@@H]21 ZINC001575625578 950692483 /nfs/dbraw/zinc/69/24/83/950692483.db2.gz SEUMGYIOYKMSPW-MAZHCROVSA-N -1 1 382.472 1.566 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)CC(C)(C)C ZINC001574519724 950695271 /nfs/dbraw/zinc/69/52/71/950695271.db2.gz HQQSTACUBCBSAR-FJZAXULXSA-N -1 1 384.488 1.670 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)CC(C)(C)C ZINC001574519724 950695289 /nfs/dbraw/zinc/69/52/89/950695289.db2.gz HQQSTACUBCBSAR-FJZAXULXSA-N -1 1 384.488 1.670 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)C1CCC(F)(F)CC1 ZINC001575925997 950697685 /nfs/dbraw/zinc/69/76/85/950697685.db2.gz IJZUDNGUTBALLM-ZYHUDNBSSA-N -1 1 392.414 1.884 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)C1CCC(F)(F)CC1 ZINC001575925997 950697695 /nfs/dbraw/zinc/69/76/95/950697695.db2.gz IJZUDNGUTBALLM-ZYHUDNBSSA-N -1 1 392.414 1.884 20 0 GDADMM CC1(C)CC(C(=O)N2CCC[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]32)C1 ZINC001575625851 950700645 /nfs/dbraw/zinc/70/06/45/950700645.db2.gz YPWXUZRNCKQTPD-GXTWGEPZSA-N -1 1 382.472 1.520 20 0 GDADMM CC1(C)CC(C(=O)N2CCC[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]32)C1 ZINC001575625851 950700659 /nfs/dbraw/zinc/70/06/59/950700659.db2.gz YPWXUZRNCKQTPD-GXTWGEPZSA-N -1 1 382.472 1.520 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576215808 950709156 /nfs/dbraw/zinc/70/91/56/950709156.db2.gz BMXUGHNCMSHOKW-MNOVXSKESA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576215808 950709168 /nfs/dbraw/zinc/70/91/68/950709168.db2.gz BMXUGHNCMSHOKW-MNOVXSKESA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H]1CN(C(=O)C(C2CC2)C2CC2)CC[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576215859 950713916 /nfs/dbraw/zinc/71/39/16/950713916.db2.gz BXLZMMCPAYWVOU-RISCZKNCSA-N -1 1 382.472 1.742 20 0 GDADMM C[C@@H]1CN(C(=O)C(C2CC2)C2CC2)CC[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576215859 950713930 /nfs/dbraw/zinc/71/39/30/950713930.db2.gz BXLZMMCPAYWVOU-RISCZKNCSA-N -1 1 382.472 1.742 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccc(C2CC2)cn1 ZINC001575926606 950714823 /nfs/dbraw/zinc/71/48/23/950714823.db2.gz KQGZDXYXRRBHRV-FZMZJTMJSA-N -1 1 391.439 1.644 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccc(C2CC2)cn1 ZINC001575926606 950714841 /nfs/dbraw/zinc/71/48/41/950714841.db2.gz KQGZDXYXRRBHRV-FZMZJTMJSA-N -1 1 391.439 1.644 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cnc(C2CC2)s1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574763498 950718815 /nfs/dbraw/zinc/71/88/15/950718815.db2.gz CHHPAPGUMDGKOI-VIFPVBQESA-N -1 1 385.457 1.563 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cnc(C2CC2)s1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574763498 950718842 /nfs/dbraw/zinc/71/88/42/950718842.db2.gz CHHPAPGUMDGKOI-VIFPVBQESA-N -1 1 385.457 1.563 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cnn(C(C)(C)C)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001574763564 950724248 /nfs/dbraw/zinc/72/42/48/950724248.db2.gz FDXYEENMLHAEAD-NSHDSACASA-N -1 1 384.448 1.181 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cnn(C(C)(C)C)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001574763564 950724265 /nfs/dbraw/zinc/72/42/65/950724265.db2.gz FDXYEENMLHAEAD-NSHDSACASA-N -1 1 384.448 1.181 20 0 GDADMM C[C@H](CN(C)C(=O)c1cnc(C2CC2)s1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574763853 950735932 /nfs/dbraw/zinc/73/59/32/950735932.db2.gz MJGPWZMONQHTFM-SECBINFHSA-N -1 1 385.457 1.563 20 0 GDADMM C[C@H](CN(C)C(=O)c1cnc(C2CC2)s1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574763853 950735948 /nfs/dbraw/zinc/73/59/48/950735948.db2.gz MJGPWZMONQHTFM-SECBINFHSA-N -1 1 385.457 1.563 20 0 GDADMM CC1(C)CC(C(=O)N[C@]23CCC[C@@H]2N(c2ccc(-c4nnn[n-]4)nn2)CC3)C1 ZINC001575629794 950747050 /nfs/dbraw/zinc/74/70/50/950747050.db2.gz TWDLPVUOKHGPLY-LIRRHRJNSA-N -1 1 382.472 1.711 20 0 GDADMM CC1(C)CC(C(=O)N[C@]23CCC[C@@H]2N(c2ccc(-c4nn[n-]n4)nn2)CC3)C1 ZINC001575629794 950747061 /nfs/dbraw/zinc/74/70/61/950747061.db2.gz TWDLPVUOKHGPLY-LIRRHRJNSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cccc2c1CCC2 ZINC001575927774 950755747 /nfs/dbraw/zinc/75/57/47/950755747.db2.gz UFPIEQBZAUENLN-LRDDRELGSA-N -1 1 390.451 1.861 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cccc2c1CCC2 ZINC001575927774 950755760 /nfs/dbraw/zinc/75/57/60/950755760.db2.gz UFPIEQBZAUENLN-LRDDRELGSA-N -1 1 390.451 1.861 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576217371 950759203 /nfs/dbraw/zinc/75/92/03/950759203.db2.gz GZYLOSUZTDJWKM-KOLCDFICSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576217371 950759219 /nfs/dbraw/zinc/75/92/19/950759219.db2.gz GZYLOSUZTDJWKM-KOLCDFICSA-N -1 1 378.387 1.351 20 0 GDADMM CC1(C)CC(CC(=O)N2C[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nnn[n-]2)C1 ZINC001575630322 950762163 /nfs/dbraw/zinc/76/21/63/950762163.db2.gz BDEMLPVQOBQUBD-OKILXGFUSA-N -1 1 382.472 1.663 20 0 GDADMM CC1(C)CC(CC(=O)N2C[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nn[n-]n2)C1 ZINC001575630322 950762177 /nfs/dbraw/zinc/76/21/77/950762177.db2.gz BDEMLPVQOBQUBD-OKILXGFUSA-N -1 1 382.472 1.663 20 0 GDADMM CC1(C)CC(C(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC(C)(C)C1 ZINC001575630765 950765744 /nfs/dbraw/zinc/76/57/44/950765744.db2.gz HOQJQCAAFOIUOD-UHFFFAOYSA-N -1 1 389.460 1.098 20 0 GDADMM CC1(C)CC(C(=O)N[C@]23CCC[C@H]2CN(c2cnc(-c4nnn[n-]4)cn2)C3)C1 ZINC001575630763 950767756 /nfs/dbraw/zinc/76/77/56/950767756.db2.gz HHVZPVZSLQDCAM-DJJJIMSYSA-N -1 1 382.472 1.568 20 0 GDADMM CC1(C)CC(C(=O)N[C@]23CCC[C@H]2CN(c2cnc(-c4nn[n-]n4)cn2)C3)C1 ZINC001575630763 950767775 /nfs/dbraw/zinc/76/77/75/950767775.db2.gz HHVZPVZSLQDCAM-DJJJIMSYSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)CC[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576217795 950773617 /nfs/dbraw/zinc/77/36/17/950773617.db2.gz JKOHSZHZBXUPKL-MNOVXSKESA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)CC[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576217795 950773630 /nfs/dbraw/zinc/77/36/30/950773630.db2.gz JKOHSZHZBXUPKL-MNOVXSKESA-N -1 1 392.414 1.741 20 0 GDADMM CC(C)(C)c1ccc(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)cc1 ZINC001573882190 950774604 /nfs/dbraw/zinc/77/46/04/950774604.db2.gz XAVKXJDCHGJDHA-HNNXBMFYSA-N -1 1 392.467 1.963 20 0 GDADMM CC(C)(C)c1ccc(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)cc1 ZINC001573882190 950774622 /nfs/dbraw/zinc/77/46/22/950774622.db2.gz XAVKXJDCHGJDHA-HNNXBMFYSA-N -1 1 392.467 1.963 20 0 GDADMM CC1(C)CC(CC(=O)NC[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001575632104 950786499 /nfs/dbraw/zinc/78/64/99/950786499.db2.gz ALQQKOUHTQPYIG-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C)CC(CC(=O)NC[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001575632104 950786510 /nfs/dbraw/zinc/78/65/10/950786510.db2.gz ALQQKOUHTQPYIG-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C)CC(CC(=O)NC2(C)CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001575632892 950806959 /nfs/dbraw/zinc/80/69/59/950806959.db2.gz PEFSELKWARDCHB-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CC(CC(=O)NC2(C)CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC001575632892 950806974 /nfs/dbraw/zinc/80/69/74/950806974.db2.gz PEFSELKWARDCHB-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C)c1n[nH]cc1C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573885097 950815175 /nfs/dbraw/zinc/81/51/75/950815175.db2.gz RRFAUEIHRFYJHP-JTQLQIEISA-N -1 1 382.432 1.004 20 0 GDADMM CC(C)(C)c1n[nH]cc1C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573885097 950815205 /nfs/dbraw/zinc/81/52/05/950815205.db2.gz RRFAUEIHRFYJHP-JTQLQIEISA-N -1 1 382.432 1.004 20 0 GDADMM C[C@@H]1[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCN1C(=O)c1cnco1 ZINC001575932210 950820567 /nfs/dbraw/zinc/82/05/67/950820567.db2.gz KNHSWHIZLSWEIS-RNFRBKRXSA-N -1 1 380.821 1.680 20 0 GDADMM CC(C)(C)c1n[nH]cc1C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573885413 950821689 /nfs/dbraw/zinc/82/16/89/950821689.db2.gz VWZLPBZPUJGZNP-UHFFFAOYSA-N -1 1 386.485 1.563 20 0 GDADMM CC(C)(C)c1n[nH]cc1C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573885517 950827223 /nfs/dbraw/zinc/82/72/23/950827223.db2.gz YIARYRNFWGYPSN-AOOOYVTPSA-N -1 1 382.432 1.050 20 0 GDADMM CC(C)(C)c1n[nH]cc1C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573885517 950827248 /nfs/dbraw/zinc/82/72/48/950827248.db2.gz YIARYRNFWGYPSN-AOOOYVTPSA-N -1 1 382.432 1.050 20 0 GDADMM C[C@@H]1[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCN1C(=O)CC(C)(C)O ZINC001575932692 950828836 /nfs/dbraw/zinc/82/88/36/950828836.db2.gz LSEFWQXAUFCTEC-SFYZADRCSA-N -1 1 385.881 1.539 20 0 GDADMM C[C@@H]1[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCN1C(=O)c1ccncn1 ZINC001575932840 950832718 /nfs/dbraw/zinc/83/27/18/950832718.db2.gz NHGSJYYIEBALRV-SFYZADRCSA-N -1 1 391.848 1.482 20 0 GDADMM CC(C)(C)c1nc(C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)co1 ZINC001573885576 950834738 /nfs/dbraw/zinc/83/47/38/950834738.db2.gz UEIBGABSDZYIAZ-UHFFFAOYSA-N -1 1 387.469 1.828 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576220554 950834994 /nfs/dbraw/zinc/83/49/94/950834994.db2.gz RMLWRUHSXSEULB-WDEREUQCSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576220554 950835015 /nfs/dbraw/zinc/83/50/15/950835015.db2.gz RMLWRUHSXSEULB-WDEREUQCSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCc1ccsc1 ZINC001575933214 950836832 /nfs/dbraw/zinc/83/68/32/950836832.db2.gz NIOUANASMLVIGS-AAEUAGOBSA-N -1 1 384.469 1.752 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1ccsc1 ZINC001575933214 950836853 /nfs/dbraw/zinc/83/68/53/950836853.db2.gz NIOUANASMLVIGS-AAEUAGOBSA-N -1 1 384.469 1.752 20 0 GDADMM C[C@H]1[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)CCN1C(=O)Cc1ccc[nH]1 ZINC001575933650 950846774 /nfs/dbraw/zinc/84/67/74/950846774.db2.gz OXQRRSRAOWPQQY-WPRPVWTQSA-N -1 1 392.876 1.949 20 0 GDADMM C[C@H]1[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCN1C(=O)Cc1ccc[nH]1 ZINC001575933650 950846793 /nfs/dbraw/zinc/84/67/93/950846793.db2.gz OXQRRSRAOWPQQY-WPRPVWTQSA-N -1 1 392.876 1.949 20 0 GDADMM C[C@H](CN(C)C(=O)c1ocnc1C(F)F)Nc1nccnc1-c1nnn[n-]1 ZINC001574767754 950871611 /nfs/dbraw/zinc/87/16/11/950871611.db2.gz QEYJBWGGCKJMJH-SSDOTTSWSA-N -1 1 379.331 1.155 20 0 GDADMM C[C@H](CN(C)C(=O)c1ocnc1C(F)F)Nc1nccnc1-c1nn[n-]n1 ZINC001574767754 950871628 /nfs/dbraw/zinc/87/16/28/950871628.db2.gz QEYJBWGGCKJMJH-SSDOTTSWSA-N -1 1 379.331 1.155 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cc(F)ccc1F ZINC001575935368 950879006 /nfs/dbraw/zinc/87/90/06/950879006.db2.gz VTPSGKHLUFFZOJ-RNCFNFMXSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(F)ccc1F ZINC001575935368 950879020 /nfs/dbraw/zinc/87/90/20/950879020.db2.gz VTPSGKHLUFFZOJ-RNCFNFMXSA-N -1 1 386.366 1.650 20 0 GDADMM CC1(C)C[C@@H](NC(=O)c2cnco2)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575640414 950891088 /nfs/dbraw/zinc/89/10/88/950891088.db2.gz HAZFJIVOBMFFON-NSHDSACASA-N -1 1 383.416 1.070 20 0 GDADMM CC1(C)C[C@@H](NC(=O)c2cnco2)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575640414 950891101 /nfs/dbraw/zinc/89/11/01/950891101.db2.gz HAZFJIVOBMFFON-NSHDSACASA-N -1 1 383.416 1.070 20 0 GDADMM C[C@@H]1CN(C(=O)C2(F)CCCCC2)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576227128 950901481 /nfs/dbraw/zinc/90/14/81/950901481.db2.gz CGNFYIUMWZBKIA-OLZOCXBDSA-N -1 1 388.451 1.400 20 0 GDADMM CC1(C)C[C@H](NC(=O)CCCF)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575640977 950906961 /nfs/dbraw/zinc/90/69/61/950906961.db2.gz MNRKIMQWYOZBJU-GFCCVEGCSA-N -1 1 376.440 1.518 20 0 GDADMM CC1(C)C[C@H](NC(=O)CCCF)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575640977 950906978 /nfs/dbraw/zinc/90/69/78/950906978.db2.gz MNRKIMQWYOZBJU-GFCCVEGCSA-N -1 1 376.440 1.518 20 0 GDADMM CC(C)c1nnsc1C(=O)N(C)C[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574769111 950909443 /nfs/dbraw/zinc/90/94/43/950909443.db2.gz ZRTJZMQJXWFSGD-SECBINFHSA-N -1 1 388.461 1.204 20 0 GDADMM CC(C)c1nnsc1C(=O)N(C)C[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574769111 950909456 /nfs/dbraw/zinc/90/94/56/950909456.db2.gz ZRTJZMQJXWFSGD-SECBINFHSA-N -1 1 388.461 1.204 20 0 GDADMM C[C@H](CN(C)C(=O)c1sccc1Cl)Nc1nccnc1-c1nnn[n-]1 ZINC001574769136 950911298 /nfs/dbraw/zinc/91/12/98/950911298.db2.gz ZXRRCLFMNAAGCD-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CN(C)C(=O)c1sccc1Cl)Nc1nccnc1-c1nn[n-]n1 ZINC001574769136 950911314 /nfs/dbraw/zinc/91/13/14/950911314.db2.gz ZXRRCLFMNAAGCD-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc(Cl)no1 ZINC001575937663 950956051 /nfs/dbraw/zinc/95/60/51/950956051.db2.gz LEAZSTDAYXRLKF-HTQZYQBOSA-N -1 1 375.780 1.013 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc(Cl)no1 ZINC001575937663 950956075 /nfs/dbraw/zinc/95/60/75/950956075.db2.gz LEAZSTDAYXRLKF-HTQZYQBOSA-N -1 1 375.780 1.013 20 0 GDADMM C[C@@H]1[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCN1C(=O)c1cnco1 ZINC001575937707 950956517 /nfs/dbraw/zinc/95/65/17/950956517.db2.gz GYGKLCWAOSPXDG-RQJHMYQMSA-N -1 1 380.821 1.680 20 0 GDADMM C[C@@H]1[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCN1C(=O)c1cnco1 ZINC001575937707 950956529 /nfs/dbraw/zinc/95/65/29/950956529.db2.gz GYGKLCWAOSPXDG-RQJHMYQMSA-N -1 1 380.821 1.680 20 0 GDADMM CC1(C)C[C@@H](NC(=O)CCC2CC2)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575643028 950957409 /nfs/dbraw/zinc/95/74/09/950957409.db2.gz XDJFEBQESAJEDB-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)C[C@@H](NC(=O)CCC2CC2)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575643028 950957429 /nfs/dbraw/zinc/95/74/29/950957429.db2.gz XDJFEBQESAJEDB-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1)c1ccccc1 ZINC001573897417 950959688 /nfs/dbraw/zinc/95/96/88/950959688.db2.gz PCBSBRFHQDUCQE-UHFFFAOYSA-N -1 1 392.467 1.673 20 0 GDADMM CC(C)(CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1)c1ccccc1 ZINC001573897417 950959710 /nfs/dbraw/zinc/95/97/10/950959710.db2.gz PCBSBRFHQDUCQE-UHFFFAOYSA-N -1 1 392.467 1.673 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)CCOCC2)CC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576229123 950962862 /nfs/dbraw/zinc/96/28/62/950962862.db2.gz JEXVAERIQIZTJL-CHWSQXEVSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)CCOCC2)CC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576229123 950962880 /nfs/dbraw/zinc/96/28/80/950962880.db2.gz JEXVAERIQIZTJL-CHWSQXEVSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)C[C@H]1C(=O)N1CC[C@@]2(C1)CCCN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001575643306 950963904 /nfs/dbraw/zinc/96/39/04/950963904.db2.gz LFJJQGMBDMUNNP-DJJJIMSYSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H]1CN(C(=O)CC(C)(C)C2CC2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576229449 950967490 /nfs/dbraw/zinc/96/74/90/950967490.db2.gz MVCYTALLRHRFCJ-CHWSQXEVSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H]1CN(C(=O)CC(C)(C)C2CC2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576229449 950967507 /nfs/dbraw/zinc/96/75/07/950967507.db2.gz MVCYTALLRHRFCJ-CHWSQXEVSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)(CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1)CC(F)F ZINC001573897840 950972298 /nfs/dbraw/zinc/97/22/98/950972298.db2.gz URXBDDQCBGRALA-QWRGUYRKSA-N -1 1 392.414 1.518 20 0 GDADMM C[C@@H]1CN(C(=O)C2CC3(CCC3)C2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576229839 950977636 /nfs/dbraw/zinc/97/76/36/950977636.db2.gz OIPIWGQKOPQFLK-OCCSQVGLSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@@H]1CN(C(=O)C2CC3(CCC3)C2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576229839 950977646 /nfs/dbraw/zinc/97/76/46/950977646.db2.gz OIPIWGQKOPQFLK-OCCSQVGLSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)F)nc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575017130 950978175 /nfs/dbraw/zinc/97/81/75/950978175.db2.gz ANDHYNBEHRXRDI-VIFPVBQESA-N -1 1 389.370 1.244 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)F)nc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575017130 950978190 /nfs/dbraw/zinc/97/81/90/950978190.db2.gz ANDHYNBEHRXRDI-VIFPVBQESA-N -1 1 389.370 1.244 20 0 GDADMM CC(C)(CC(=O)NCC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)C1CC1 ZINC001573899541 950983597 /nfs/dbraw/zinc/98/35/97/950983597.db2.gz CVDSPLGMPMYJGX-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(CC(=O)NCC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)C1CC1 ZINC001573899541 950983617 /nfs/dbraw/zinc/98/36/17/950983617.db2.gz CVDSPLGMPMYJGX-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)F)nc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575017691 951009847 /nfs/dbraw/zinc/00/98/47/951009847.db2.gz ISEMKEUUXCUFGV-VIFPVBQESA-N -1 1 389.370 1.244 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)F)nc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575017691 951009860 /nfs/dbraw/zinc/00/98/60/951009860.db2.gz ISEMKEUUXCUFGV-VIFPVBQESA-N -1 1 389.370 1.244 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)F)cc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575018678 951024193 /nfs/dbraw/zinc/02/41/93/951024193.db2.gz OJVUYKVZRFQHFL-SNVBAGLBSA-N -1 1 388.382 1.849 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)F)cc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575018678 951024209 /nfs/dbraw/zinc/02/42/09/951024209.db2.gz OJVUYKVZRFQHFL-SNVBAGLBSA-N -1 1 388.382 1.849 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)F)cc1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575020083 951052576 /nfs/dbraw/zinc/05/25/76/951052576.db2.gz XRLSZUBBIMTNHZ-JTQLQIEISA-N -1 1 388.382 1.494 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)c(Cl)c1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575021040 951059557 /nfs/dbraw/zinc/05/95/57/951059557.db2.gz ALZQTJJDEWUCER-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)c(Cl)c1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575021040 951059567 /nfs/dbraw/zinc/05/95/67/951059567.db2.gz ALZQTJJDEWUCER-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C2CC2)cc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575022827 951073240 /nfs/dbraw/zinc/07/32/40/951073240.db2.gz KGPOUMQJYJFLDB-LBPRGKRZSA-N -1 1 378.440 1.789 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C2CC2)cc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575022827 951073248 /nfs/dbraw/zinc/07/32/48/951073248.db2.gz KGPOUMQJYJFLDB-LBPRGKRZSA-N -1 1 378.440 1.789 20 0 GDADMM CC(C)Oc1ccc(C(=O)NC[C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001575024409 951101564 /nfs/dbraw/zinc/10/15/64/951101564.db2.gz DDAMXICFCJOUQM-GFCCVEGCSA-N -1 1 382.428 1.096 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCCC2)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575024798 951115062 /nfs/dbraw/zinc/11/50/62/951115062.db2.gz MVXTXZCQBDWOTR-ZDUSSCGKSA-N -1 1 392.467 1.790 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCCC2)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575024798 951115065 /nfs/dbraw/zinc/11/50/65/951115065.db2.gz MVXTXZCQBDWOTR-ZDUSSCGKSA-N -1 1 392.467 1.790 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2[nH]ccc2c1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575024808 951115448 /nfs/dbraw/zinc/11/54/48/951115448.db2.gz NAMCMYQQIOEBLD-NSHDSACASA-N -1 1 377.412 1.393 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2[nH]ccc2c1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575024808 951115454 /nfs/dbraw/zinc/11/54/54/951115454.db2.gz NAMCMYQQIOEBLD-NSHDSACASA-N -1 1 377.412 1.393 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(N(C)C)cc1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575025073 951125665 /nfs/dbraw/zinc/12/56/65/951125665.db2.gz UIAUTKPOXWVPHQ-GFCCVEGCSA-N -1 1 381.444 1.201 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(N(C)C)cc1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575025073 951125671 /nfs/dbraw/zinc/12/56/71/951125671.db2.gz UIAUTKPOXWVPHQ-GFCCVEGCSA-N -1 1 381.444 1.201 20 0 GDADMM CC(C)Oc1cccc(C(=O)NC[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001575026869 951147304 /nfs/dbraw/zinc/14/73/04/951147304.db2.gz AAJSIRYRHWVIJV-NSHDSACASA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1cccc(C(=O)NC[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001575026869 951147315 /nfs/dbraw/zinc/14/73/15/951147315.db2.gz AAJSIRYRHWVIJV-NSHDSACASA-N -1 1 383.416 1.069 20 0 GDADMM C[C@H](CNC(=O)c1ccccn1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575032201 951217722 /nfs/dbraw/zinc/21/77/22/951217722.db2.gz TYNOXUUEWFMWAI-MRVPVSSYSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@H](CNC(=O)c1ccccn1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575032201 951217733 /nfs/dbraw/zinc/21/77/33/951217733.db2.gz TYNOXUUEWFMWAI-MRVPVSSYSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@@H](CNC(=O)c1ccnn1C)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575035303 951273125 /nfs/dbraw/zinc/27/31/25/951273125.db2.gz VXZNOAAGEOGRAR-ZETCQYMHSA-N -1 1 381.853 1.188 20 0 GDADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001592211044 951310938 /nfs/dbraw/zinc/31/09/38/951310938.db2.gz FSHVMSWNCQCUBP-INIZCTEOSA-N -1 1 376.413 1.005 20 0 GDADMM C[C@H](CNC(=O)c1ccsc1Cl)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575038390 951320147 /nfs/dbraw/zinc/32/01/47/951320147.db2.gz IPDOUPWKXZPGOV-QMMMGPOBSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@H](CNC(=O)c1ccsc1Cl)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575038390 951320161 /nfs/dbraw/zinc/32/01/61/951320161.db2.gz IPDOUPWKXZPGOV-QMMMGPOBSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@H](CNC(=O)c1cnn(C)c1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575052823 951471147 /nfs/dbraw/zinc/47/11/47/951471147.db2.gz OQMLPMMWWLVWBQ-SSDOTTSWSA-N -1 1 381.853 1.188 20 0 GDADMM C[C@H](CNC(=O)c1cnsn1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575054233 951489058 /nfs/dbraw/zinc/48/90/58/951489058.db2.gz GMNNJDCFXJLHOF-RXMQYKEDSA-N -1 1 385.866 1.083 20 0 GDADMM C[C@H](CNC(=O)c1cnsn1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575054233 951489067 /nfs/dbraw/zinc/48/90/67/951489067.db2.gz GMNNJDCFXJLHOF-RXMQYKEDSA-N -1 1 385.866 1.083 20 0 GDADMM C[C@H](CNC(=O)c1coc(C(C)(C)C)n1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575056684 951522956 /nfs/dbraw/zinc/52/29/56/951522956.db2.gz LJFFMFFUPSJMOM-SNVBAGLBSA-N -1 1 385.432 1.197 20 0 GDADMM C[C@H](CNC(=O)c1coc(C(C)(C)C)n1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575056684 951522967 /nfs/dbraw/zinc/52/29/67/951522967.db2.gz LJFFMFFUPSJMOM-SNVBAGLBSA-N -1 1 385.432 1.197 20 0 GDADMM C[C@H](CNC(=O)c1coc(CC2CC2)n1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575056642 951523295 /nfs/dbraw/zinc/52/32/95/951523295.db2.gz KIMRGLNHRBDJTN-JTQLQIEISA-N -1 1 383.416 1.075 20 0 GDADMM C[C@H](CNC(=O)c1coc(CC2CC2)n1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575056642 951523303 /nfs/dbraw/zinc/52/33/03/951523303.db2.gz KIMRGLNHRBDJTN-JTQLQIEISA-N -1 1 383.416 1.075 20 0 GDADMM O=C([O-])CCc1cccc(NC(=O)CNS(=O)(=O)c2c(F)cccc2F)c1 ZINC001595065361 951540546 /nfs/dbraw/zinc/54/05/46/951540546.db2.gz JXAOCKRYJCCNRL-UHFFFAOYSA-N -1 1 398.387 1.899 20 0 GDADMM C[C@@H](CNC(=O)c1ncc(Cl)s1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575060632 951542360 /nfs/dbraw/zinc/54/23/60/951542360.db2.gz BOIHPAWNOZFWMJ-SSDOTTSWSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1ncc(Cl)s1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575060632 951542368 /nfs/dbraw/zinc/54/23/68/951542368.db2.gz BOIHPAWNOZFWMJ-SSDOTTSWSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1nc(C(C)(C)C)cs1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575061254 951556114 /nfs/dbraw/zinc/55/61/14/951556114.db2.gz MAJYDMNVXHZPEE-VIFPVBQESA-N -1 1 387.473 1.641 20 0 GDADMM C[C@@H](CNC(=O)c1nc(C(C)(C)C)cs1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575061254 951556132 /nfs/dbraw/zinc/55/61/32/951556132.db2.gz MAJYDMNVXHZPEE-VIFPVBQESA-N -1 1 387.473 1.641 20 0 GDADMM C[C@@H](CNC(=O)c1ncc(Cl)s1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575061312 951558794 /nfs/dbraw/zinc/55/87/94/951558794.db2.gz MVPIQTQEBGNHET-ZETCQYMHSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@@H](CNC(=O)c1ncc(Cl)s1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575061312 951558800 /nfs/dbraw/zinc/55/88/00/951558800.db2.gz MVPIQTQEBGNHET-ZETCQYMHSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@@H](CNC(=O)c1nc(Cl)cs1)CNc1nccnc1-c1nnn[n-]1 ZINC001575062806 951571171 /nfs/dbraw/zinc/57/11/71/951571171.db2.gz YUTVXOGNHMMMGP-SSDOTTSWSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1nc(Cl)cs1)CNc1nccnc1-c1nn[n-]n1 ZINC001575062806 951571180 /nfs/dbraw/zinc/57/11/80/951571180.db2.gz YUTVXOGNHMMMGP-SSDOTTSWSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@H](CNC(=O)c1nc(Cl)cs1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575062562 951571294 /nfs/dbraw/zinc/57/12/94/951571294.db2.gz XSQJPJWCUALDGE-SSDOTTSWSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@H](CNC(=O)c1nc(Cl)cs1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575062562 951571304 /nfs/dbraw/zinc/57/13/04/951571304.db2.gz XSQJPJWCUALDGE-SSDOTTSWSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@H](CNC(=O)c1cscc1C(F)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575062868 951573424 /nfs/dbraw/zinc/57/34/24/951573424.db2.gz ZYQYHMBJVRHOGI-SSDOTTSWSA-N -1 1 380.384 1.886 20 0 GDADMM C[C@H](CNC(=O)c1cscc1C(F)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575062868 951573431 /nfs/dbraw/zinc/57/34/31/951573431.db2.gz ZYQYHMBJVRHOGI-SSDOTTSWSA-N -1 1 380.384 1.886 20 0 GDADMM CC(C)c1nnsc1C(=O)NC[C@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575069146 951642686 /nfs/dbraw/zinc/64/26/86/951642686.db2.gz GSDIIAXJQXOLSS-SECBINFHSA-N -1 1 388.461 1.110 20 0 GDADMM CC(C)c1nnsc1C(=O)NC[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575069146 951642693 /nfs/dbraw/zinc/64/26/93/951642693.db2.gz GSDIIAXJQXOLSS-SECBINFHSA-N -1 1 388.461 1.110 20 0 GDADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)Cc1cncs1)C1CC1 ZINC001575123516 952013379 /nfs/dbraw/zinc/01/33/79/952013379.db2.gz ACFIILHGTMHSMV-MRXNPFEDSA-N -1 1 385.457 1.053 20 0 GDADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)Cc1cncs1)C1CC1 ZINC001575123516 952013393 /nfs/dbraw/zinc/01/33/93/952013393.db2.gz ACFIILHGTMHSMV-MRXNPFEDSA-N -1 1 385.457 1.053 20 0 GDADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)[C@@H]1CCC1(F)F)C1CC1 ZINC001575123634 952017168 /nfs/dbraw/zinc/01/71/68/952017168.db2.gz BKTNPNQZARYZJV-ZUZCIYMTSA-N -1 1 378.387 1.399 20 0 GDADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)[C@@H]1CCC1(F)F)C1CC1 ZINC001575123634 952017181 /nfs/dbraw/zinc/01/71/81/952017181.db2.gz BKTNPNQZARYZJV-ZUZCIYMTSA-N -1 1 378.387 1.399 20 0 GDADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)[C@H]1CCC(F)(F)C1)C1CC1 ZINC001575127937 952062587 /nfs/dbraw/zinc/06/25/87/952062587.db2.gz DNDQLHWNCJVBQZ-MGPLVRAMSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)[C@H]1CCC(F)(F)C1)C1CC1 ZINC001575127937 952062594 /nfs/dbraw/zinc/06/25/94/952062594.db2.gz DNDQLHWNCJVBQZ-MGPLVRAMSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)C1C=CC=CC=C1)C1CC1 ZINC001575128857 952072953 /nfs/dbraw/zinc/07/29/53/952072953.db2.gz NKRLZCHPCVNPJU-LJQANCHMSA-N -1 1 378.440 1.652 20 0 GDADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)C1C=CC=CC=C1)C1CC1 ZINC001575128857 952072961 /nfs/dbraw/zinc/07/29/61/952072961.db2.gz NKRLZCHPCVNPJU-LJQANCHMSA-N -1 1 378.440 1.652 20 0 GDADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)CC[C@@H]1CCCO1)C1CC1 ZINC001575129222 952077938 /nfs/dbraw/zinc/07/79/38/952077938.db2.gz RHLUMIJDVNTHFG-SCLBCKFNSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)CC[C@@H]1CCCO1)C1CC1 ZINC001575129222 952077945 /nfs/dbraw/zinc/07/79/45/952077945.db2.gz RHLUMIJDVNTHFG-SCLBCKFNSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ccc(Cl)s1 ZINC001575134736 952112908 /nfs/dbraw/zinc/11/29/08/952112908.db2.gz OUBJYZQBTAVKDC-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ccc(Cl)s1 ZINC001575134736 952112911 /nfs/dbraw/zinc/11/29/11/952112911.db2.gz OUBJYZQBTAVKDC-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1coc(C2CCC2)n1 ZINC001575137467 952139076 /nfs/dbraw/zinc/13/90/76/952139076.db2.gz ZVXJTZYVVDIEMP-JTQLQIEISA-N -1 1 383.416 1.485 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1coc(C2CCC2)n1 ZINC001575137467 952139083 /nfs/dbraw/zinc/13/90/83/952139083.db2.gz ZVXJTZYVVDIEMP-JTQLQIEISA-N -1 1 383.416 1.485 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C[C@@H]1CCCC1(F)F ZINC001575144148 952163317 /nfs/dbraw/zinc/16/33/17/952163317.db2.gz UNSSEVCJKLUBKT-MNOVXSKESA-N -1 1 380.403 1.163 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(Cl)ccc1F ZINC001575144236 952164302 /nfs/dbraw/zinc/16/43/02/952164302.db2.gz HAHZUHFBBJIDRW-SECBINFHSA-N -1 1 390.810 1.444 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc2c(s1)CCC2 ZINC001575144446 952166196 /nfs/dbraw/zinc/16/61/96/952166196.db2.gz IPNFSMJYLKPVBA-JTQLQIEISA-N -1 1 384.469 1.201 20 0 GDADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)COC1CCCC1)C1CC1 ZINC001575152957 952205617 /nfs/dbraw/zinc/20/56/17/952205617.db2.gz BGVWMJFIINPUGW-GOSISDBHSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)COC1CCCC1)C1CC1 ZINC001575152957 952205621 /nfs/dbraw/zinc/20/56/21/952205621.db2.gz BGVWMJFIINPUGW-GOSISDBHSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)CC[C@@H]1CC(C)(C)CO1 ZINC001575154147 952216790 /nfs/dbraw/zinc/21/67/90/952216790.db2.gz OXEJELJIGHBZRD-CHWSQXEVSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)CC[C@@H]1CC(C)(C)CO1 ZINC001575154147 952216792 /nfs/dbraw/zinc/21/67/92/952216792.db2.gz OXEJELJIGHBZRD-CHWSQXEVSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1scnc1Cl ZINC001575154456 952223210 /nfs/dbraw/zinc/22/32/10/952223210.db2.gz DQJFBZIPIGVYAX-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1scnc1Cl ZINC001575154456 952223216 /nfs/dbraw/zinc/22/32/16/952223216.db2.gz DQJFBZIPIGVYAX-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1ccc2c(c1)CCO2 ZINC001575156109 952249341 /nfs/dbraw/zinc/24/93/41/952249341.db2.gz CKZSXJCUAYUFKP-LLVKDONJSA-N -1 1 380.412 1.164 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc2c(c1)CCO2 ZINC001575156109 952249345 /nfs/dbraw/zinc/24/93/45/952249345.db2.gz CKZSXJCUAYUFKP-LLVKDONJSA-N -1 1 380.412 1.164 20 0 GDADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)[C@H]1CCCOCC1)C1CC1 ZINC001575156229 952250155 /nfs/dbraw/zinc/25/01/55/952250155.db2.gz RBZGOSAJVWNAAM-KPZWWZAWSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)[C@H]1CCCOCC1)C1CC1 ZINC001575156229 952250157 /nfs/dbraw/zinc/25/01/57/952250157.db2.gz RBZGOSAJVWNAAM-KPZWWZAWSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1[nH]cnc1C(C)(C)C ZINC001575156401 952251274 /nfs/dbraw/zinc/25/12/74/952251274.db2.gz FJOZNSXLUYXNOB-SNVBAGLBSA-N -1 1 384.448 1.250 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1[nH]cnc1C(C)(C)C ZINC001575156401 952251280 /nfs/dbraw/zinc/25/12/80/952251280.db2.gz FJOZNSXLUYXNOB-SNVBAGLBSA-N -1 1 384.448 1.250 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CCc1ccc(F)cc1 ZINC001575156413 952252125 /nfs/dbraw/zinc/25/21/25/952252125.db2.gz FKTDPNGKIOJODC-LBPRGKRZSA-N -1 1 384.419 1.687 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CCc1ccc(F)cc1 ZINC001575156413 952252132 /nfs/dbraw/zinc/25/21/32/952252132.db2.gz FKTDPNGKIOJODC-LBPRGKRZSA-N -1 1 384.419 1.687 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)c1csnn1 ZINC001575165308 952306076 /nfs/dbraw/zinc/30/60/76/952306076.db2.gz NIDPNSTXJDUWTP-RXMQYKEDSA-N -1 1 385.866 1.401 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)c1csnn1 ZINC001575165308 952306083 /nfs/dbraw/zinc/30/60/83/952306083.db2.gz NIDPNSTXJDUWTP-RXMQYKEDSA-N -1 1 385.866 1.401 20 0 GDADMM C[C@@](CO)(NC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1)c1cccc(O)c1 ZINC001575176459 952394912 /nfs/dbraw/zinc/39/49/12/952394912.db2.gz HMTLQLLLCHHFQI-AWEZNQCLSA-N -1 1 395.832 1.711 20 0 GDADMM C[C@](CO)(NC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC001575179095 952410709 /nfs/dbraw/zinc/41/07/09/952410709.db2.gz SQJBGNYNQPHWRE-MRXNPFEDSA-N -1 1 392.341 1.918 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)c1ccncc1 ZINC001575179689 952414122 /nfs/dbraw/zinc/41/41/22/952414122.db2.gz QUDWJJJEDMBOEP-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)c1ccncc1 ZINC001575179689 952414125 /nfs/dbraw/zinc/41/41/25/952414125.db2.gz QUDWJJJEDMBOEP-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ccnc(C2CC2)c1 ZINC001575181171 952421095 /nfs/dbraw/zinc/42/10/95/952421095.db2.gz ZPEXHFVGTSIWCX-LLVKDONJSA-N -1 1 379.428 1.502 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ccnc(C2CC2)c1 ZINC001575181171 952421098 /nfs/dbraw/zinc/42/10/98/952421098.db2.gz ZPEXHFVGTSIWCX-LLVKDONJSA-N -1 1 379.428 1.502 20 0 GDADMM C[C@@H](Cc1cccc(F)c1)C(=O)NCCCNc1nccnc1-c1nnn[n-]1 ZINC001575187978 952444613 /nfs/dbraw/zinc/44/46/13/952444613.db2.gz GCUWLTNHUGTCFL-LBPRGKRZSA-N -1 1 384.419 1.593 20 0 GDADMM C[C@@H](Cc1cccc(F)c1)C(=O)NCCCNc1nccnc1-c1nn[n-]n1 ZINC001575187978 952444619 /nfs/dbraw/zinc/44/46/19/952444619.db2.gz GCUWLTNHUGTCFL-LBPRGKRZSA-N -1 1 384.419 1.593 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)Cc1ccccc1F ZINC001575191074 952466400 /nfs/dbraw/zinc/46/64/00/952466400.db2.gz WWAVROYFAMTRHM-NWDGAFQWSA-N -1 1 384.419 1.013 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575195865 952473382 /nfs/dbraw/zinc/47/33/82/952473382.db2.gz CKEVQGDCCPXCLE-AVGNSLFASA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575195865 952473387 /nfs/dbraw/zinc/47/33/87/952473387.db2.gz CKEVQGDCCPXCLE-AVGNSLFASA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001575196558 952475650 /nfs/dbraw/zinc/47/56/50/952475650.db2.gz HDONIJWGWCTSKH-XHDPSFHLSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001575196558 952475652 /nfs/dbraw/zinc/47/56/52/952475652.db2.gz HDONIJWGWCTSKH-XHDPSFHLSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575197445 952484501 /nfs/dbraw/zinc/48/45/01/952484501.db2.gz WCLMPRBUCJPYQD-HIFPTAJRSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575197445 952484504 /nfs/dbraw/zinc/48/45/04/952484504.db2.gz WCLMPRBUCJPYQD-HIFPTAJRSA-N -1 1 382.428 1.435 20 0 GDADMM C=Cc1ccc(C(=O)NCC2CC(Nc3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001571121359 952519649 /nfs/dbraw/zinc/51/96/49/952519649.db2.gz ZPRLZLOSVMWYNS-UHFFFAOYSA-N -1 1 376.424 1.920 20 0 GDADMM C=Cc1ccc(C(=O)NCC2CC(Nc3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571121359 952519650 /nfs/dbraw/zinc/51/96/50/952519650.db2.gz ZPRLZLOSVMWYNS-UHFFFAOYSA-N -1 1 376.424 1.920 20 0 GDADMM O=C(N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccc(Cl)s1 ZINC001571121925 952521916 /nfs/dbraw/zinc/52/19/16/952521916.db2.gz FDSRHFHHAWWBLE-MRVPVSSYSA-N -1 1 376.833 1.380 20 0 GDADMM Cc1ncsc1C(=O)N1CC[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571122744 952524871 /nfs/dbraw/zinc/52/48/71/952524871.db2.gz JRXJRCSDUQWHCA-VIFPVBQESA-N -1 1 376.471 1.723 20 0 GDADMM O=C(c1cscc1Cl)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571123678 952530753 /nfs/dbraw/zinc/53/07/53/952530753.db2.gz UELAGVOSADOAFC-QMMMGPOBSA-N -1 1 376.833 1.698 20 0 GDADMM O=C(c1cscc1Cl)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571123678 952530757 /nfs/dbraw/zinc/53/07/57/952530757.db2.gz UELAGVOSADOAFC-QMMMGPOBSA-N -1 1 376.833 1.698 20 0 GDADMM CCc1nc(N[C@H](C)[C@H]2CCN(C(=O)C(C)(C)F)C2)cc(-c2nnn[n-]2)n1 ZINC001571123821 952532910 /nfs/dbraw/zinc/53/29/10/952532910.db2.gz WLBNQQACCJWOPP-MNOVXSKESA-N -1 1 376.440 1.616 20 0 GDADMM CCc1nc(N[C@H](C)[C@H]2CCN(C(=O)C(C)(C)F)C2)cc(-c2nn[n-]n2)n1 ZINC001571123821 952532913 /nfs/dbraw/zinc/53/29/13/952532913.db2.gz WLBNQQACCJWOPP-MNOVXSKESA-N -1 1 376.440 1.616 20 0 GDADMM CN(C(=O)c1csc(=O)[nH]1)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571127214 952551413 /nfs/dbraw/zinc/55/14/13/952551413.db2.gz BMFHSTWJQLVPOB-UHFFFAOYSA-N -1 1 377.455 1.047 20 0 GDADMM O=C(c1nc(Cl)cs1)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571127150 952551878 /nfs/dbraw/zinc/55/18/78/952551878.db2.gz AEFUVJWWIFMEMN-SSDOTTSWSA-N -1 1 377.821 1.093 20 0 GDADMM O=C(c1nc(Cl)cs1)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571127150 952551881 /nfs/dbraw/zinc/55/18/81/952551881.db2.gz AEFUVJWWIFMEMN-SSDOTTSWSA-N -1 1 377.821 1.093 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1 ZINC001575214178 952562488 /nfs/dbraw/zinc/56/24/88/952562488.db2.gz KAEHZZNHHVBRSK-UWVGGRQHSA-N -1 1 378.387 1.128 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1 ZINC001575214178 952562491 /nfs/dbraw/zinc/56/24/91/952562491.db2.gz KAEHZZNHHVBRSK-UWVGGRQHSA-N -1 1 378.387 1.128 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575215491 952568768 /nfs/dbraw/zinc/56/87/68/952568768.db2.gz URGYPKGDCHGVHN-MGCOHNPYSA-N -1 1 380.403 1.067 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@@H]2CCCCN2c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001575221647 952570539 /nfs/dbraw/zinc/57/05/39/952570539.db2.gz AKWIHSODVQYILX-NSHDSACASA-N -1 1 392.414 1.567 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@@H]2CCCCN2c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001575221647 952570542 /nfs/dbraw/zinc/57/05/42/952570542.db2.gz AKWIHSODVQYILX-NSHDSACASA-N -1 1 392.414 1.567 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575215916 952570578 /nfs/dbraw/zinc/57/05/78/952570578.db2.gz ZFAUZLHNCQKWSM-SNVBAGLBSA-N -1 1 380.403 1.423 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575215916 952570585 /nfs/dbraw/zinc/57/05/85/952570585.db2.gz ZFAUZLHNCQKWSM-SNVBAGLBSA-N -1 1 380.403 1.423 20 0 GDADMM Cc1nsc(N2CC[C@H](NC(=O)C[C@@H]3CCOC3)[C@H]2C)c1-c1nn[n-]n1 ZINC001571128841 952571129 /nfs/dbraw/zinc/57/11/29/952571129.db2.gz YEVBHGSEYPFLEZ-WOPDTQHZSA-N -1 1 377.474 1.142 20 0 GDADMM CN(c1ccnc(-c2nn[n-]n2)n1)[C@H]1CCCN(C(=O)[C@H]2CCC2(F)F)C1 ZINC001571129340 952573969 /nfs/dbraw/zinc/57/39/69/952573969.db2.gz CNDVFNBGPKZZPG-WDEREUQCSA-N -1 1 378.387 1.129 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)[C@@H]1CCCC(F)(F)C1 ZINC001571129850 952577666 /nfs/dbraw/zinc/57/76/66/952577666.db2.gz KNMHQKJXNMLJHJ-GMTAPVOTSA-N -1 1 378.387 1.541 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)[C@@H]1CCCC(F)(F)C1 ZINC001571129850 952577668 /nfs/dbraw/zinc/57/76/68/952577668.db2.gz KNMHQKJXNMLJHJ-GMTAPVOTSA-N -1 1 378.387 1.541 20 0 GDADMM O=C([C@H]1CC1(F)F)N1CCC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571130022 952578747 /nfs/dbraw/zinc/57/87/47/952578747.db2.gz MZNDVPSNAHYRDJ-WDEREUQCSA-N -1 1 378.387 1.353 20 0 GDADMM O=C([C@H]1CC1(F)F)N1CCC[C@@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571130022 952578749 /nfs/dbraw/zinc/57/87/49/952578749.db2.gz MZNDVPSNAHYRDJ-WDEREUQCSA-N -1 1 378.387 1.353 20 0 GDADMM CNC(=O)c1ccc(Cn2c(=O)c(-c3nn[n-]n3)ccc2C(F)(F)F)cc1 ZINC001571130855 952582544 /nfs/dbraw/zinc/58/25/44/952582544.db2.gz XHEXPOOYTVUWPR-UHFFFAOYSA-N -1 1 378.314 1.455 20 0 GDADMM Cc1ccccc1[C@@H](C)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571134306 952588458 /nfs/dbraw/zinc/58/84/58/952588458.db2.gz HLFHZPSTPPRWFO-CQSZACIVSA-N -1 1 378.440 1.417 20 0 GDADMM Cc1ccccc1[C@@H](C)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571134306 952588459 /nfs/dbraw/zinc/58/84/59/952588459.db2.gz HLFHZPSTPPRWFO-CQSZACIVSA-N -1 1 378.440 1.417 20 0 GDADMM Cc1ccccc1C(=O)N1CCC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001571134490 952590838 /nfs/dbraw/zinc/59/08/38/952590838.db2.gz IZDJDYCPAPTTKL-AWEZNQCLSA-N -1 1 378.440 1.706 20 0 GDADMM Cc1ccccc1C(=O)N1CCC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001571134490 952590840 /nfs/dbraw/zinc/59/08/40/952590840.db2.gz IZDJDYCPAPTTKL-AWEZNQCLSA-N -1 1 378.440 1.706 20 0 GDADMM CN(CC1CCN(C(=O)c2ccccc2)CC1)c1nccnc1-c1nnn[n-]1 ZINC001571134579 952592841 /nfs/dbraw/zinc/59/28/41/952592841.db2.gz HGMMDAQBIXCKLT-UHFFFAOYSA-N -1 1 378.440 1.645 20 0 GDADMM CN(CC1CCN(C(=O)c2ccccc2)CC1)c1nccnc1-c1nn[n-]n1 ZINC001571134579 952592844 /nfs/dbraw/zinc/59/28/44/952592844.db2.gz HGMMDAQBIXCKLT-UHFFFAOYSA-N -1 1 378.440 1.645 20 0 GDADMM CCCc1ccc(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001571135151 952600878 /nfs/dbraw/zinc/60/08/78/952600878.db2.gz QBQYNUYSRVNHFU-GASCZTMLSA-N -1 1 378.440 1.982 20 0 GDADMM CCCc1ccc(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001571135151 952600880 /nfs/dbraw/zinc/60/08/80/952600880.db2.gz QBQYNUYSRVNHFU-GASCZTMLSA-N -1 1 378.440 1.982 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)c(C)c1 ZINC001571135241 952601564 /nfs/dbraw/zinc/60/15/64/952601564.db2.gz UIWIYZTWZPAFPB-CQSZACIVSA-N -1 1 378.440 1.990 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)c(C)c1 ZINC001571135241 952601567 /nfs/dbraw/zinc/60/15/67/952601567.db2.gz UIWIYZTWZPAFPB-CQSZACIVSA-N -1 1 378.440 1.990 20 0 GDADMM Cc1cccc(CC(=O)N2CCC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571135336 952602194 /nfs/dbraw/zinc/60/21/94/952602194.db2.gz VYVSQHCCQRXXOW-HNNXBMFYSA-N -1 1 378.440 1.611 20 0 GDADMM Cc1cccc(CC(=O)N2CCC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571135336 952602196 /nfs/dbraw/zinc/60/21/96/952602196.db2.gz VYVSQHCCQRXXOW-HNNXBMFYSA-N -1 1 378.440 1.611 20 0 GDADMM Cc1ccccc1C(=O)NCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571135507 952604611 /nfs/dbraw/zinc/60/46/11/952604611.db2.gz ZKJWTVNKZFBTJJ-UHFFFAOYSA-N -1 1 378.440 1.612 20 0 GDADMM Cc1ccccc1C(=O)NCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571135507 952604612 /nfs/dbraw/zinc/60/46/12/952604612.db2.gz ZKJWTVNKZFBTJJ-UHFFFAOYSA-N -1 1 378.440 1.612 20 0 GDADMM O=C(c1ccccc1)N1CCCC[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001571140553 952626471 /nfs/dbraw/zinc/62/64/71/952626471.db2.gz CTLPPCBNZSTHKL-HNNXBMFYSA-N -1 1 378.440 1.576 20 0 GDADMM COc1cncc(CNC(=O)c2cnc(C(F)(F)F)c(-c3nn[n-]n3)c2)c1 ZINC001571140796 952628902 /nfs/dbraw/zinc/62/89/02/952628902.db2.gz UEUFXHUOMFTKCO-UHFFFAOYSA-N -1 1 379.302 1.614 20 0 GDADMM COC(=O)CC[C@H]1CCCN(C(=O)NCc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571141662 952634482 /nfs/dbraw/zinc/63/44/82/952634482.db2.gz JXHRTCPPZYFYNN-LLVKDONJSA-N -1 1 378.458 1.803 20 0 GDADMM O=C(NC[C@]12CCC[C@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2)c1ccc[nH]1 ZINC001571146646 952651107 /nfs/dbraw/zinc/65/11/07/952651107.db2.gz KXPCXNFZBBINGR-FZKQIMNGSA-N -1 1 379.428 1.164 20 0 GDADMM Cc1c[nH]cc1C(=O)N[C@@]12CCC[C@@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001571146709 952652490 /nfs/dbraw/zinc/65/24/90/952652490.db2.gz AUUMALGXRHGDSU-SCLBCKFNSA-N -1 1 379.428 1.225 20 0 GDADMM O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)c1cc[nH]c1 ZINC001571147053 952656592 /nfs/dbraw/zinc/65/65/92/952656592.db2.gz REVYYNJAWZBYCG-UBSAEIQESA-N -1 1 379.428 1.162 20 0 GDADMM O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)c1cc[nH]c1 ZINC001571147053 952656595 /nfs/dbraw/zinc/65/65/95/952656595.db2.gz REVYYNJAWZBYCG-UBSAEIQESA-N -1 1 379.428 1.162 20 0 GDADMM Cc1[nH]ccc1C(=O)N[C@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571147355 952661144 /nfs/dbraw/zinc/66/11/44/952661144.db2.gz LALWVASUNGRMIA-KDOFPFPSSA-N -1 1 379.428 1.225 20 0 GDADMM Cc1[nH]ccc1C(=O)N[C@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001571147355 952661147 /nfs/dbraw/zinc/66/11/47/952661147.db2.gz LALWVASUNGRMIA-KDOFPFPSSA-N -1 1 379.428 1.225 20 0 GDADMM O=C(c1ccc[nH]1)N1CC[C@]2(C1)CCCN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001571147455 952661952 /nfs/dbraw/zinc/66/19/52/952661952.db2.gz YWXDVELONQCOOG-GOSISDBHSA-N -1 1 379.428 1.118 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)CC(F)(F)c1ccc(F)cc1 ZINC001571152044 952681575 /nfs/dbraw/zinc/68/15/75/952681575.db2.gz BOZDMPYAUGTUGB-UHFFFAOYSA-N -1 1 380.378 1.968 20 0 GDADMM COCc1ccc(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001571155071 952692822 /nfs/dbraw/zinc/69/28/22/952692822.db2.gz GMZAEVIQXSPMOO-AWEZNQCLSA-N -1 1 380.412 1.130 20 0 GDADMM COCc1ccc(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001571155071 952692825 /nfs/dbraw/zinc/69/28/25/952692825.db2.gz GMZAEVIQXSPMOO-AWEZNQCLSA-N -1 1 380.412 1.130 20 0 GDADMM C[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)c1ccoc1C1CC1 ZINC001571155111 952692983 /nfs/dbraw/zinc/69/29/83/952692983.db2.gz ICBGQSWJSDCPQR-CMPLNLGQSA-N -1 1 380.412 1.264 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001571155555 952699039 /nfs/dbraw/zinc/69/90/39/952699039.db2.gz WLQKQAYVZCQTDM-WDEREUQCSA-N -1 1 380.403 1.375 20 0 GDADMM CCOc1ccccc1C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571155772 952700017 /nfs/dbraw/zinc/70/00/17/952700017.db2.gz ZSLIKLUZTWYPJK-GFCCVEGCSA-N -1 1 380.412 1.064 20 0 GDADMM CCOc1ccccc1C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571155772 952700019 /nfs/dbraw/zinc/70/00/19/952700019.db2.gz ZSLIKLUZTWYPJK-GFCCVEGCSA-N -1 1 380.412 1.064 20 0 GDADMM Cc1cccc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)[C@H](C)C2)n1 ZINC001571156770 952704606 /nfs/dbraw/zinc/70/46/06/952704606.db2.gz JIWWGSHMIWVSOY-CHWSQXEVSA-N -1 1 379.428 1.147 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)[C@H](C)C2)cn1 ZINC001571157213 952706962 /nfs/dbraw/zinc/70/69/62/952706962.db2.gz NMSTZFHVXBKKCJ-RISCZKNCSA-N -1 1 379.428 1.323 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)[C@H](C)C2)cn1 ZINC001571157213 952706965 /nfs/dbraw/zinc/70/69/65/952706965.db2.gz NMSTZFHVXBKKCJ-RISCZKNCSA-N -1 1 379.428 1.323 20 0 GDADMM Cc1cccc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)[C@@H]2C)n1 ZINC001571157198 952706979 /nfs/dbraw/zinc/70/69/79/952706979.db2.gz NKKYPJFAARTXPP-OLZOCXBDSA-N -1 1 379.428 1.147 20 0 GDADMM Cc1cccc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)[C@@H]2C)n1 ZINC001571157198 952706980 /nfs/dbraw/zinc/70/69/80/952706980.db2.gz NKKYPJFAARTXPP-OLZOCXBDSA-N -1 1 379.428 1.147 20 0 GDADMM Cc1cc(C(=O)NC2CC3(C2)CC(Nc2cnc(-c4nnn[n-]4)cn2)C3)co1 ZINC001571157909 952707897 /nfs/dbraw/zinc/70/78/97/952707897.db2.gz CJGUVEPSBJFQCD-UHFFFAOYSA-N -1 1 380.412 1.711 20 0 GDADMM Cc1cc(C(=O)NC2CC3(C2)CC(Nc2cnc(-c4nn[n-]n4)cn2)C3)co1 ZINC001571157909 952707898 /nfs/dbraw/zinc/70/78/98/952707898.db2.gz CJGUVEPSBJFQCD-UHFFFAOYSA-N -1 1 380.412 1.711 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@@H]2CN(C)c2cnc(-c3nnn[n-]3)cn2)ccn1 ZINC001571158120 952710206 /nfs/dbraw/zinc/71/02/06/952710206.db2.gz RIOUCCLYTSWHAP-CQSZACIVSA-N -1 1 379.428 1.101 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@@H]2CN(C)c2cnc(-c3nn[n-]n3)cn2)ccn1 ZINC001571158120 952710211 /nfs/dbraw/zinc/71/02/11/952710211.db2.gz RIOUCCLYTSWHAP-CQSZACIVSA-N -1 1 379.428 1.101 20 0 GDADMM Cc1ccc(C(=O)N[C@]23CCC[C@H]2N(c2nccnc2-c2nnn[n-]2)CC3)o1 ZINC001571158718 952713828 /nfs/dbraw/zinc/71/38/28/952713828.db2.gz NIQDUQHGWHZRAB-ACJLOTCBSA-N -1 1 380.412 1.490 20 0 GDADMM Cc1ccc(C(=O)N[C@]23CCC[C@H]2N(c2nccnc2-c2nn[n-]n2)CC3)o1 ZINC001571158718 952713831 /nfs/dbraw/zinc/71/38/31/952713831.db2.gz NIQDUQHGWHZRAB-ACJLOTCBSA-N -1 1 380.412 1.490 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@]3(CCN(c4cncc(-c5nnn[n-]5)n4)C3)C2)o1 ZINC001571159001 952715809 /nfs/dbraw/zinc/71/58/09/952715809.db2.gz OUNNXMAWZLMSBT-SFHVURJKSA-N -1 1 380.412 1.301 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@]3(CCN(c4cncc(-c5nn[n-]n5)n4)C3)C2)o1 ZINC001571159001 952715816 /nfs/dbraw/zinc/71/58/16/952715816.db2.gz OUNNXMAWZLMSBT-SFHVURJKSA-N -1 1 380.412 1.301 20 0 GDADMM COc1ccccc1C(=O)N(C)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571159019 952716867 /nfs/dbraw/zinc/71/68/67/952716867.db2.gz PGLVANQEBTYAEU-GFCCVEGCSA-N -1 1 380.412 1.016 20 0 GDADMM COc1ccccc1C(=O)N(C)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571159019 952716869 /nfs/dbraw/zinc/71/68/69/952716869.db2.gz PGLVANQEBTYAEU-GFCCVEGCSA-N -1 1 380.412 1.016 20 0 GDADMM O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1)c1ccoc1 ZINC001571160007 952723313 /nfs/dbraw/zinc/72/33/13/952723313.db2.gz ACHRXSOVIYAFNR-UBSAEIQESA-N -1 1 380.412 1.427 20 0 GDADMM O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1)c1ccoc1 ZINC001571160007 952723317 /nfs/dbraw/zinc/72/33/17/952723317.db2.gz ACHRXSOVIYAFNR-UBSAEIQESA-N -1 1 380.412 1.427 20 0 GDADMM O=C(Cc1ccco1)N[C@@]12CCC[C@@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571161623 952733762 /nfs/dbraw/zinc/73/37/62/952733762.db2.gz YZANPOCBAHBRHM-KBXCAEBGSA-N -1 1 380.412 1.110 20 0 GDADMM O=C(Cc1ccco1)N[C@@]12CCC[C@@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001571161623 952733764 /nfs/dbraw/zinc/73/37/64/952733764.db2.gz YZANPOCBAHBRHM-KBXCAEBGSA-N -1 1 380.412 1.110 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H]3C[C@H]2CN3C(=O)C2(C3CC3)CC2)n1 ZINC001571166304 952760036 /nfs/dbraw/zinc/76/00/36/952760036.db2.gz LMMYZZOCCJKJIF-STQMWFEESA-N -1 1 380.456 1.199 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H]3C[C@H]2CN3C(=O)C2(C3CC3)CC2)n1 ZINC001571166304 952760039 /nfs/dbraw/zinc/76/00/39/952760039.db2.gz LMMYZZOCCJKJIF-STQMWFEESA-N -1 1 380.456 1.199 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)c2cocn2)C3)n1 ZINC001571174884 952815746 /nfs/dbraw/zinc/81/57/46/952815746.db2.gz LLWLSTHWBNRYAF-TUAOUCFPSA-N -1 1 381.400 1.058 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)c2cocn2)C3)n1 ZINC001571174884 952815751 /nfs/dbraw/zinc/81/57/51/952815751.db2.gz LLWLSTHWBNRYAF-TUAOUCFPSA-N -1 1 381.400 1.058 20 0 GDADMM Cc1cnoc1C(=O)NC1CC2(C1)CC(Nc1ccc(-c3nnn[n-]3)nn1)C2 ZINC001571176507 952831636 /nfs/dbraw/zinc/83/16/36/952831636.db2.gz SCTBREIZMKTIKH-UHFFFAOYSA-N -1 1 381.400 1.106 20 0 GDADMM Cc1cnoc1C(=O)NC1CC2(C1)CC(Nc1ccc(-c3nn[n-]n3)nn1)C2 ZINC001571176507 952831639 /nfs/dbraw/zinc/83/16/39/952831639.db2.gz SCTBREIZMKTIKH-UHFFFAOYSA-N -1 1 381.400 1.106 20 0 GDADMM CCn1c(C)cc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1C ZINC001571183424 952877471 /nfs/dbraw/zinc/87/74/71/952877471.db2.gz AAKPYECFYPBCMO-CYBMUJFWSA-N -1 1 381.444 1.422 20 0 GDADMM CCn1c(C)cc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1C ZINC001571183424 952877475 /nfs/dbraw/zinc/87/74/75/952877475.db2.gz AAKPYECFYPBCMO-CYBMUJFWSA-N -1 1 381.444 1.422 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N(C)[C@H]2CCN(C(=O)c3c[nH]cc3C)C2)n1 ZINC001571183439 952878781 /nfs/dbraw/zinc/87/87/81/952878781.db2.gz ADPIDEIEJJATGD-LBPRGKRZSA-N -1 1 381.444 1.207 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N(C)[C@H]2CCN(C(=O)c3c[nH]cc3C)C2)n1 ZINC001571183439 952878784 /nfs/dbraw/zinc/87/87/84/952878784.db2.gz ADPIDEIEJJATGD-LBPRGKRZSA-N -1 1 381.444 1.207 20 0 GDADMM C[C@H](Nc1nccnc1-c1nnn[n-]1)[C@H]1CCCCN1C(=O)Cc1ccc[nH]1 ZINC001571184426 952893285 /nfs/dbraw/zinc/89/32/85/952893285.db2.gz ZAGIDHHOZPBFGJ-GXTWGEPZSA-N -1 1 381.444 1.409 20 0 GDADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)[C@H]1CCCCN1C(=O)Cc1ccc[nH]1 ZINC001571184426 952893290 /nfs/dbraw/zinc/89/32/90/952893290.db2.gz ZAGIDHHOZPBFGJ-GXTWGEPZSA-N -1 1 381.444 1.409 20 0 GDADMM Cc1ccc(C(=O)N[C@]2(C)CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)n1C ZINC001571184622 952895118 /nfs/dbraw/zinc/89/51/18/952895118.db2.gz BPHKKUDXULGKIT-GOSISDBHSA-N -1 1 381.444 1.011 20 0 GDADMM Cc1ccc(C(=O)N[C@]2(C)CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)n1C ZINC001571184622 952895121 /nfs/dbraw/zinc/89/51/21/952895121.db2.gz BPHKKUDXULGKIT-GOSISDBHSA-N -1 1 381.444 1.011 20 0 GDADMM CCn1cccc1C(=O)N1C[C@@H](CNc2nccnc2-c2nnn[n-]2)[C@H](C)C1 ZINC001571185701 952903563 /nfs/dbraw/zinc/90/35/63/952903563.db2.gz OMHSOLNGFDWJOG-CHWSQXEVSA-N -1 1 381.444 1.298 20 0 GDADMM CCn1cccc1C(=O)N1C[C@@H](CNc2nccnc2-c2nn[n-]n2)[C@H](C)C1 ZINC001571185701 952903566 /nfs/dbraw/zinc/90/35/66/952903566.db2.gz OMHSOLNGFDWJOG-CHWSQXEVSA-N -1 1 381.444 1.298 20 0 GDADMM CCn1cccc1C(=O)N1CC[C@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001571186140 952905883 /nfs/dbraw/zinc/90/58/83/952905883.db2.gz UBPCQDCYJVHUMH-ZDUSSCGKSA-N -1 1 381.444 1.442 20 0 GDADMM CCn1cccc1C(=O)N1CC[C@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001571186140 952905891 /nfs/dbraw/zinc/90/58/91/952905891.db2.gz UBPCQDCYJVHUMH-ZDUSSCGKSA-N -1 1 381.444 1.442 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@@H]2CC[C@@H](C)N(c3cncc(-c4nnn[n-]4)n3)C2)[nH]1 ZINC001571187687 952909186 /nfs/dbraw/zinc/90/91/86/952909186.db2.gz AQTGORAYRPWYAE-CHWSQXEVSA-N -1 1 381.444 1.389 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@@H]2CC[C@@H](C)N(c3cncc(-c4nn[n-]n4)n3)C2)[nH]1 ZINC001571187687 952909189 /nfs/dbraw/zinc/90/91/89/952909189.db2.gz AQTGORAYRPWYAE-CHWSQXEVSA-N -1 1 381.444 1.389 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@H]2CC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)[nH]1 ZINC001571188349 952913816 /nfs/dbraw/zinc/91/38/16/952913816.db2.gz IZSQPNDIJQZRCT-STQMWFEESA-N -1 1 381.444 1.034 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CC[C@@H](C)[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571189541 952931153 /nfs/dbraw/zinc/93/11/53/952931153.db2.gz WZBOAFZGORIZJA-YPMHNXCESA-N -1 1 381.444 1.504 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CC[C@@H](C)[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571189541 952931160 /nfs/dbraw/zinc/93/11/60/952931160.db2.gz WZBOAFZGORIZJA-YPMHNXCESA-N -1 1 381.444 1.504 20 0 GDADMM O=C(Cc1ccc[nH]1)N1CCCCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571189705 952934035 /nfs/dbraw/zinc/93/40/35/952934035.db2.gz SCUZPWAINUROLT-AWEZNQCLSA-N -1 1 381.444 1.411 20 0 GDADMM O=C(Cc1ccc[nH]1)N1CCCCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571189705 952934039 /nfs/dbraw/zinc/93/40/39/952934039.db2.gz SCUZPWAINUROLT-AWEZNQCLSA-N -1 1 381.444 1.411 20 0 GDADMM Cc1c(F)cccc1C(=O)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571196068 952980616 /nfs/dbraw/zinc/98/06/16/952980616.db2.gz HDKFJIOKFPEXFV-UHFFFAOYSA-N -1 1 382.403 1.821 20 0 GDADMM Cc1c(F)cccc1C(=O)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571196068 952980617 /nfs/dbraw/zinc/98/06/17/952980617.db2.gz HDKFJIOKFPEXFV-UHFFFAOYSA-N -1 1 382.403 1.821 20 0 GDADMM Cc1c(F)cccc1C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571196483 952981585 /nfs/dbraw/zinc/98/15/85/952981585.db2.gz KZYFCUKFDLQDNF-GFCCVEGCSA-N -1 1 382.403 1.243 20 0 GDADMM Cc1c(F)cccc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001571196713 952983403 /nfs/dbraw/zinc/98/34/03/952983403.db2.gz MRQNNPWCWSDUSN-FZMZJTMJSA-N -1 1 382.403 1.241 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccccc2F)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571196890 952984331 /nfs/dbraw/zinc/98/43/31/952984331.db2.gz PAOQWORSSMUJOT-RISCZKNCSA-N -1 1 382.403 1.759 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccccc2F)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571196890 952984336 /nfs/dbraw/zinc/98/43/36/952984336.db2.gz PAOQWORSSMUJOT-RISCZKNCSA-N -1 1 382.403 1.759 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@@H]2C)ccc1F ZINC001571197369 952989656 /nfs/dbraw/zinc/98/96/56/952989656.db2.gz YAGPUOXPXDTNFQ-SMDDNHRTSA-N -1 1 382.403 1.819 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@@H]2C)ccc1F ZINC001571197369 952989662 /nfs/dbraw/zinc/98/96/62/952989662.db2.gz YAGPUOXPXDTNFQ-SMDDNHRTSA-N -1 1 382.403 1.819 20 0 GDADMM Cc1occc1C(=O)N[C@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1(C)C ZINC001571199266 952998488 /nfs/dbraw/zinc/99/84/88/952998488.db2.gz OSVFSNDRKCKQIZ-AWEZNQCLSA-N -1 1 382.428 1.511 20 0 GDADMM Cc1occc1C(=O)N[C@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1(C)C ZINC001571199266 952998492 /nfs/dbraw/zinc/99/84/92/952998492.db2.gz OSVFSNDRKCKQIZ-AWEZNQCLSA-N -1 1 382.428 1.511 20 0 GDADMM CC(C)c1ccoc1C(=O)N(C)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571199760 953003827 /nfs/dbraw/zinc/00/38/27/953003827.db2.gz BKMSDNDUMMGMBX-LBPRGKRZSA-N -1 1 382.428 1.724 20 0 GDADMM CC(C)c1ccoc1C(=O)N(C)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571199760 953003832 /nfs/dbraw/zinc/00/38/32/953003832.db2.gz BKMSDNDUMMGMBX-LBPRGKRZSA-N -1 1 382.428 1.724 20 0 GDADMM CC1(C)CC[C@@H](CNC(=O)c2ccco2)N(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571199715 953004173 /nfs/dbraw/zinc/00/41/73/953004173.db2.gz AACBNKGHIROMNI-LBPRGKRZSA-N -1 1 382.428 1.675 20 0 GDADMM CC1(C)CC[C@@H](CNC(=O)c2ccco2)N(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571199715 953004178 /nfs/dbraw/zinc/00/41/78/953004178.db2.gz AACBNKGHIROMNI-LBPRGKRZSA-N -1 1 382.428 1.675 20 0 GDADMM Cc1coc(C)c1C(=O)N[C@@H]1C[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571200807 953011903 /nfs/dbraw/zinc/01/19/03/953011903.db2.gz GNICSAHWPNCCOF-JOCQHMNTSA-N -1 1 382.428 1.795 20 0 GDADMM Cc1coc(C)c1C(=O)N[C@@H]1C[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571200807 953011907 /nfs/dbraw/zinc/01/19/07/953011907.db2.gz GNICSAHWPNCCOF-JOCQHMNTSA-N -1 1 382.428 1.795 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C[C@@H]2C)oc1C ZINC001571200893 953013089 /nfs/dbraw/zinc/01/30/89/953013089.db2.gz HPMIONKQVFRZAY-AAEUAGOBSA-N -1 1 382.428 1.972 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C[C@@H]2C)oc1C ZINC001571200893 953013091 /nfs/dbraw/zinc/01/30/91/953013091.db2.gz HPMIONKQVFRZAY-AAEUAGOBSA-N -1 1 382.428 1.972 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CC[C@H](C)N(c3ccc(-c4nnn[n-]4)nn3)C2)c(C)o1 ZINC001571200882 953013225 /nfs/dbraw/zinc/01/32/25/953013225.db2.gz HLELVKVGDATTOC-GWCFXTLKSA-N -1 1 382.428 1.654 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CC[C@H](C)N(c3ccc(-c4nn[n-]n4)nn3)C2)c(C)o1 ZINC001571200882 953013228 /nfs/dbraw/zinc/01/32/28/953013228.db2.gz HLELVKVGDATTOC-GWCFXTLKSA-N -1 1 382.428 1.654 20 0 GDADMM O=C(NC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cccc(F)c1 ZINC001571201132 953015155 /nfs/dbraw/zinc/01/51/55/953015155.db2.gz NMXWFKQOBZBJEO-GFCCVEGCSA-N -1 1 382.403 1.442 20 0 GDADMM O=C(NC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cccc(F)c1 ZINC001571201132 953015157 /nfs/dbraw/zinc/01/51/57/953015157.db2.gz NMXWFKQOBZBJEO-GFCCVEGCSA-N -1 1 382.403 1.442 20 0 GDADMM Cc1ccc([C@@H](C)C(=O)N2CC[C@@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)o1 ZINC001571201768 953019533 /nfs/dbraw/zinc/01/95/33/953019533.db2.gz NWVAPBJWTUHJMS-CHWSQXEVSA-N -1 1 382.428 1.683 20 0 GDADMM Cc1ccc([C@@H](C)C(=O)N2CC[C@@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)o1 ZINC001571201768 953019537 /nfs/dbraw/zinc/01/95/37/953019537.db2.gz NWVAPBJWTUHJMS-CHWSQXEVSA-N -1 1 382.428 1.683 20 0 GDADMM Cc1coc(C)c1C(=O)N1CC[C@@H]([C@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571201760 953019717 /nfs/dbraw/zinc/01/97/17/953019717.db2.gz NVFSHYPUZONMMF-WCQYABFASA-N -1 1 382.428 1.829 20 0 GDADMM Cc1coc(C)c1C(=O)N1CC[C@@H]([C@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571201760 953019720 /nfs/dbraw/zinc/01/97/20/953019720.db2.gz NVFSHYPUZONMMF-WCQYABFASA-N -1 1 382.428 1.829 20 0 GDADMM O=C(NC[C@H]1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cccc(F)c1 ZINC001571202378 953023684 /nfs/dbraw/zinc/02/36/84/953023684.db2.gz VVZSSTSEAYLWAS-SMDDNHRTSA-N -1 1 382.403 1.228 20 0 GDADMM Cc1oc(C)c(C(=O)NC[C@@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)c1C ZINC001571205339 953037345 /nfs/dbraw/zinc/03/73/45/953037345.db2.gz HEZIKCQNCGFAQC-ZDUSSCGKSA-N -1 1 382.428 1.574 20 0 GDADMM Cc1oc(C)c(C(=O)NC[C@@H]2CCCN2c2cncc(-c3nn[n-]n3)n2)c1C ZINC001571205339 953037348 /nfs/dbraw/zinc/03/73/48/953037348.db2.gz HEZIKCQNCGFAQC-ZDUSSCGKSA-N -1 1 382.428 1.574 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)c3cn(C(C)C)cn3)C2)n1 ZINC001571206222 953048186 /nfs/dbraw/zinc/04/81/86/953048186.db2.gz FBPJWFWXDAOQKF-GFCCVEGCSA-N -1 1 382.432 1.069 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)c3cn(C(C)C)cn3)C2)n1 ZINC001571206222 953048188 /nfs/dbraw/zinc/04/81/88/953048188.db2.gz FBPJWFWXDAOQKF-GFCCVEGCSA-N -1 1 382.432 1.069 20 0 GDADMM Cc1csc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nnn[n-]3)nn2)c1 ZINC001571210861 953075786 /nfs/dbraw/zinc/07/57/86/953075786.db2.gz YRZQMABIPNGCNJ-RTXFEEFZSA-N -1 1 382.453 1.566 20 0 GDADMM Cc1csc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nn2)c1 ZINC001571210861 953075791 /nfs/dbraw/zinc/07/57/91/953075791.db2.gz YRZQMABIPNGCNJ-RTXFEEFZSA-N -1 1 382.453 1.566 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001571211528 953077710 /nfs/dbraw/zinc/07/77/10/953077710.db2.gz APAKAKNWGDWLAO-XJFOESAGSA-N -1 1 382.472 1.519 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001571211528 953077712 /nfs/dbraw/zinc/07/77/12/953077712.db2.gz APAKAKNWGDWLAO-XJFOESAGSA-N -1 1 382.472 1.519 20 0 GDADMM CN(c1nccnc1-c1nnn[n-]1)C1CCN(C(=O)[C@@H]2CCCC23CC3)CC1 ZINC001571211556 953078295 /nfs/dbraw/zinc/07/82/95/953078295.db2.gz BMCIMLIDJLTQHQ-AWEZNQCLSA-N -1 1 382.472 1.664 20 0 GDADMM CN(c1nccnc1-c1nn[n-]n1)C1CCN(C(=O)[C@@H]2CCCC23CC3)CC1 ZINC001571211556 953078296 /nfs/dbraw/zinc/07/82/96/953078296.db2.gz BMCIMLIDJLTQHQ-AWEZNQCLSA-N -1 1 382.472 1.664 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H]2C2CCN(C(=O)C3CC3)CC2)n1 ZINC001571211585 953078395 /nfs/dbraw/zinc/07/83/95/953078395.db2.gz CJLLBQDOVJHKSB-MRXNPFEDSA-N -1 1 382.472 1.583 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H]2C2CCN(C(=O)C3CC3)CC2)n1 ZINC001571211585 953078399 /nfs/dbraw/zinc/07/83/99/953078399.db2.gz CJLLBQDOVJHKSB-MRXNPFEDSA-N -1 1 382.472 1.583 20 0 GDADMM CN(c1ccc(-c2nnn[n-]2)nn1)C1CCN(C(=O)C(C2CC2)C2CC2)CC1 ZINC001571211708 953079384 /nfs/dbraw/zinc/07/93/84/953079384.db2.gz CUFNVLQTMJNDAQ-UHFFFAOYSA-N -1 1 382.472 1.520 20 0 GDADMM CN(c1ccc(-c2nn[n-]n2)nn1)C1CCN(C(=O)C(C2CC2)C2CC2)CC1 ZINC001571211708 953079388 /nfs/dbraw/zinc/07/93/88/953079388.db2.gz CUFNVLQTMJNDAQ-UHFFFAOYSA-N -1 1 382.472 1.520 20 0 GDADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CCN(C(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001571212006 953082482 /nfs/dbraw/zinc/08/24/82/953082482.db2.gz HBXKHDMFDSGDFM-BBEJJTJUSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CCN(C(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001571212006 953082486 /nfs/dbraw/zinc/08/24/86/953082486.db2.gz HBXKHDMFDSGDFM-BBEJJTJUSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@@H]1CC(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)C[C@@H](C)C1 ZINC001571212039 953082521 /nfs/dbraw/zinc/08/25/21/953082521.db2.gz HQRWHEHFQLWWTC-WLCUGFDKSA-N -1 1 382.472 1.280 20 0 GDADMM C[C@@H]1CC(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)C[C@@H](C)C1 ZINC001571212039 953082525 /nfs/dbraw/zinc/08/25/25/953082525.db2.gz HQRWHEHFQLWWTC-WLCUGFDKSA-N -1 1 382.472 1.280 20 0 GDADMM CC(C)C[C@@H]1C[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001571212027 953083119 /nfs/dbraw/zinc/08/31/19/953083119.db2.gz HMAAVTWFRIICBP-RYPNDVFKSA-N -1 1 382.472 1.137 20 0 GDADMM CC(C)C[C@@H]1C[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001571212027 953083125 /nfs/dbraw/zinc/08/31/25/953083125.db2.gz HMAAVTWFRIICBP-RYPNDVFKSA-N -1 1 382.472 1.137 20 0 GDADMM C[C@H]1CN(C(=O)C(C2CC2)C2CC2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571212847 953090019 /nfs/dbraw/zinc/09/00/19/953090019.db2.gz NNJBRADOLWALBK-SMDDNHRTSA-N -1 1 382.472 1.599 20 0 GDADMM C[C@H]1CN(C(=O)C(C2CC2)C2CC2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571212847 953090024 /nfs/dbraw/zinc/09/00/24/953090024.db2.gz NNJBRADOLWALBK-SMDDNHRTSA-N -1 1 382.472 1.599 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](N(C)C(=O)[C@@H]3C[C@H]3C3CC3)C2)n1 ZINC001571212848 953090756 /nfs/dbraw/zinc/09/07/56/953090756.db2.gz NOGMDMANQQRFSK-HZSPNIEDSA-N -1 1 382.472 1.302 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](N(C)C(=O)[C@@H]3C[C@H]3C3CC3)C2)n1 ZINC001571212848 953090758 /nfs/dbraw/zinc/09/07/58/953090758.db2.gz NOGMDMANQQRFSK-HZSPNIEDSA-N -1 1 382.472 1.302 20 0 GDADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCCN(C(=O)C2=CCCCCC2)C1 ZINC001571212990 953092154 /nfs/dbraw/zinc/09/21/54/953092154.db2.gz PGAFTYQJRMMOGH-OAHLLOKOSA-N -1 1 382.472 1.974 20 0 GDADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCCN(C(=O)C2=CCCCCC2)C1 ZINC001571212990 953092156 /nfs/dbraw/zinc/09/21/56/953092156.db2.gz PGAFTYQJRMMOGH-OAHLLOKOSA-N -1 1 382.472 1.974 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H]3[C@@H]2CCCN3C(=O)C2CCCC2)n1 ZINC001571213236 953093464 /nfs/dbraw/zinc/09/34/64/953093464.db2.gz PYCGWPZZFQDFRL-HOTGVXAUSA-N -1 1 382.472 1.725 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H]3[C@@H]2CCCN3C(=O)C2CCCC2)n1 ZINC001571213236 953093465 /nfs/dbraw/zinc/09/34/65/953093465.db2.gz PYCGWPZZFQDFRL-HOTGVXAUSA-N -1 1 382.472 1.725 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC2CCN(C(=O)[C@H]3[C@@H]4CCCC[C@@H]43)CC2)n1 ZINC001571213518 953095421 /nfs/dbraw/zinc/09/54/21/953095421.db2.gz RMDKKMBPAKWUNK-FOLVSLTJSA-N -1 1 382.472 1.804 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC2CCN(C(=O)[C@H]3[C@@H]4CCCC[C@@H]43)CC2)n1 ZINC001571213518 953095426 /nfs/dbraw/zinc/09/54/26/953095426.db2.gz RMDKKMBPAKWUNK-FOLVSLTJSA-N -1 1 382.472 1.804 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2CCC[C@@H]2C)n1 ZINC001571213574 953096746 /nfs/dbraw/zinc/09/67/46/953096746.db2.gz RWZFFKAWNOFFPR-UPMLDKDTSA-N -1 1 382.472 1.342 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2CCC[C@@H]2C)n1 ZINC001571213574 953096750 /nfs/dbraw/zinc/09/67/50/953096750.db2.gz RWZFFKAWNOFFPR-UPMLDKDTSA-N -1 1 382.472 1.342 20 0 GDADMM C[C@H](C(=O)N1CC[C@]2(C1)CCCN(c1cncc(-c3nnn[n-]3)n1)C2)C1CC1 ZINC001571214074 953099242 /nfs/dbraw/zinc/09/92/42/953099242.db2.gz WGFHFAQREYMXLC-ORAYPTAESA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H](C(=O)N1CC[C@]2(C1)CCCN(c1cncc(-c3nn[n-]n3)n1)C2)C1CC1 ZINC001571214074 953099250 /nfs/dbraw/zinc/09/92/50/953099250.db2.gz WGFHFAQREYMXLC-ORAYPTAESA-N -1 1 382.472 1.522 20 0 GDADMM CN(C(=O)[C@H]1CCCC2(CC2)C1)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571214089 953099330 /nfs/dbraw/zinc/09/93/30/953099330.db2.gz WOSMIPCHWOBVNI-UONOGXRCSA-N -1 1 382.472 1.664 20 0 GDADMM CC(C)(C)C12CC(C(=O)N3CC[C@@H](Nc4ccc(-c5nnn[n-]5)nn4)C3)(C1)C2 ZINC001571214312 953101701 /nfs/dbraw/zinc/10/17/01/953101701.db2.gz XAHVETBULCFMBS-PIHIASKNSA-N -1 1 382.472 1.886 20 0 GDADMM CC(C)(C)C12CC(C(=O)N3CC[C@@H](Nc4ccc(-c5nn[n-]n5)nn4)C3)(C1)C2 ZINC001571214312 953101704 /nfs/dbraw/zinc/10/17/04/953101704.db2.gz XAHVETBULCFMBS-PIHIASKNSA-N -1 1 382.472 1.886 20 0 GDADMM O=C(C1[C@@H]2CCCCCC[C@@H]12)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571216760 953103588 /nfs/dbraw/zinc/10/35/88/953103588.db2.gz AGCJHTJLSHJSTL-ZIAGYGMSSA-N -1 1 382.472 1.522 20 0 GDADMM O=C(C1[C@@H]2CCCCCC[C@@H]12)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571216760 953103589 /nfs/dbraw/zinc/10/35/89/953103589.db2.gz AGCJHTJLSHJSTL-ZIAGYGMSSA-N -1 1 382.472 1.522 20 0 GDADMM O=C(N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)[C@@H]1CCCC12CC2 ZINC001571217265 953106483 /nfs/dbraw/zinc/10/64/83/953106483.db2.gz DFZRAZQAEQMHMK-KGLIPLIRSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)[C@@H]1CCCC12CC2 ZINC001571217265 953106485 /nfs/dbraw/zinc/10/64/85/953106485.db2.gz DFZRAZQAEQMHMK-KGLIPLIRSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C1(C2CCC2)CCC1 ZINC001571217696 953110233 /nfs/dbraw/zinc/11/02/33/953110233.db2.gz IOWVAEVDPOEADT-CYBMUJFWSA-N -1 1 382.472 1.309 20 0 GDADMM O=C(NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C12CCC(CC1)CC2 ZINC001571218874 953119680 /nfs/dbraw/zinc/11/96/80/953119680.db2.gz SAYGTTCXJBPCQA-UHFFFAOYSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C12CCC(CC1)CC2 ZINC001571218874 953119683 /nfs/dbraw/zinc/11/96/83/953119683.db2.gz SAYGTTCXJBPCQA-UHFFFAOYSA-N -1 1 382.472 1.712 20 0 GDADMM Cc1cc(-c2nn[nH]n2)cc(C)c1CC(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC001571218806 953120015 /nfs/dbraw/zinc/12/00/15/953120015.db2.gz DZLOGTBODIAQIC-GFCCVEGCSA-N -1 1 383.412 1.521 20 0 GDADMM O=C(c1ccc(F)cn1)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571218898 953120503 /nfs/dbraw/zinc/12/05/03/953120503.db2.gz GIXPYEXGLBKAFZ-GFCCVEGCSA-N -1 1 383.391 1.298 20 0 GDADMM O=C(c1ccc(F)cn1)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571218898 953120506 /nfs/dbraw/zinc/12/05/06/953120506.db2.gz GIXPYEXGLBKAFZ-GFCCVEGCSA-N -1 1 383.391 1.298 20 0 GDADMM O=C(CCC1CC1)N1C[C@@H]2CCC[C@]2(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571219079 953122174 /nfs/dbraw/zinc/12/21/74/953122174.db2.gz URFASWWUIUNNIN-LIRRHRJNSA-N -1 1 382.472 1.888 20 0 GDADMM O=C(CCC1CC1)N1C[C@@H]2CCC[C@]2(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571219079 953122176 /nfs/dbraw/zinc/12/21/76/953122176.db2.gz URFASWWUIUNNIN-LIRRHRJNSA-N -1 1 382.472 1.888 20 0 GDADMM O=C(CC(C1CC1)C1CC1)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571219094 953122583 /nfs/dbraw/zinc/12/25/83/953122583.db2.gz VCNBUVGMHUQTIO-AWEZNQCLSA-N -1 1 382.472 1.886 20 0 GDADMM O=C(CC(C1CC1)C1CC1)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571219094 953122585 /nfs/dbraw/zinc/12/25/85/953122585.db2.gz VCNBUVGMHUQTIO-AWEZNQCLSA-N -1 1 382.472 1.886 20 0 GDADMM O=C(N1CCC(CNc2nccnc2-c2nnn[n-]2)CC1)[C@@]12C[C@@H]1CCCC2 ZINC001571219288 953124040 /nfs/dbraw/zinc/12/40/40/953124040.db2.gz WKSUTMSDPQSXEE-LIRRHRJNSA-N -1 1 382.472 1.888 20 0 GDADMM O=C(N1CCC(CNc2nccnc2-c2nn[n-]n2)CC1)[C@@]12C[C@@H]1CCCC2 ZINC001571219288 953124042 /nfs/dbraw/zinc/12/40/42/953124042.db2.gz WKSUTMSDPQSXEE-LIRRHRJNSA-N -1 1 382.472 1.888 20 0 GDADMM O=C(c1cncc(F)c1)N1CCC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571219390 953125845 /nfs/dbraw/zinc/12/58/45/953125845.db2.gz OCCMLBXFPBMNNI-LLVKDONJSA-N -1 1 383.391 1.155 20 0 GDADMM O=C(c1cncc(F)c1)N1CCC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571219390 953125849 /nfs/dbraw/zinc/12/58/49/953125849.db2.gz OCCMLBXFPBMNNI-LLVKDONJSA-N -1 1 383.391 1.155 20 0 GDADMM CCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)Cc2cnoc2)CC1 ZINC001571222194 953132659 /nfs/dbraw/zinc/13/26/59/953132659.db2.gz DYCOWEGLAKWVCO-UHFFFAOYSA-N -1 1 383.416 1.071 20 0 GDADMM CCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)Cc2cnoc2)CC1 ZINC001571222194 953132662 /nfs/dbraw/zinc/13/26/62/953132662.db2.gz DYCOWEGLAKWVCO-UHFFFAOYSA-N -1 1 383.416 1.071 20 0 GDADMM CCc1noc(C)c1C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571223010 953140902 /nfs/dbraw/zinc/14/09/02/953140902.db2.gz OZRVWZXRNPCYAQ-XYPYZODXSA-N -1 1 383.416 1.136 20 0 GDADMM CCc1noc(C)c1C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571223010 953140904 /nfs/dbraw/zinc/14/09/04/953140904.db2.gz OZRVWZXRNPCYAQ-XYPYZODXSA-N -1 1 383.416 1.136 20 0 GDADMM CC[C@@H]1CN(C(=O)c2ocnc2C)CC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571223145 953141220 /nfs/dbraw/zinc/14/12/20/953141220.db2.gz OJGLCARSQVOKGG-VXGBXAGGSA-N -1 1 383.416 1.306 20 0 GDADMM CC[C@@H]1CN(C(=O)c2ocnc2C)CC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571223145 953141222 /nfs/dbraw/zinc/14/12/22/953141222.db2.gz OJGLCARSQVOKGG-VXGBXAGGSA-N -1 1 383.416 1.306 20 0 GDADMM CC(C)c1cc(C(=O)N2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C[C@@H]2C)no1 ZINC001571223385 953144590 /nfs/dbraw/zinc/14/45/90/953144590.db2.gz QLVXCAUXDSHUQR-QWRGUYRKSA-N -1 1 383.416 1.483 20 0 GDADMM CC(C)c1cc(C(=O)N2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C[C@@H]2C)no1 ZINC001571223385 953144594 /nfs/dbraw/zinc/14/45/94/953144594.db2.gz QLVXCAUXDSHUQR-QWRGUYRKSA-N -1 1 383.416 1.483 20 0 GDADMM Cc1conc1C(=O)N1CCC[C@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571225589 953152843 /nfs/dbraw/zinc/15/28/43/953152843.db2.gz KRRVILSCJZCDRE-RYUDHWBXSA-N -1 1 383.416 1.306 20 0 GDADMM Cc1conc1C(=O)N1CCC[C@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571225589 953152846 /nfs/dbraw/zinc/15/28/46/953152846.db2.gz KRRVILSCJZCDRE-RYUDHWBXSA-N -1 1 383.416 1.306 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)c3conc3C(C)C)C2)n1 ZINC001571226410 953155393 /nfs/dbraw/zinc/15/53/93/953155393.db2.gz QAYACSGYBQWWPP-LLVKDONJSA-N -1 1 383.416 1.403 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)c3conc3C(C)C)C2)n1 ZINC001571226410 953155394 /nfs/dbraw/zinc/15/53/94/953155394.db2.gz QAYACSGYBQWWPP-LLVKDONJSA-N -1 1 383.416 1.403 20 0 GDADMM Cc1ncoc1C(=O)N1CCCCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571226683 953156895 /nfs/dbraw/zinc/15/68/95/953156895.db2.gz VZEJGFYNNMOBFB-LBPRGKRZSA-N -1 1 383.416 1.450 20 0 GDADMM Cc1ncoc1C(=O)N1CCCCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571226683 953156896 /nfs/dbraw/zinc/15/68/96/953156896.db2.gz VZEJGFYNNMOBFB-LBPRGKRZSA-N -1 1 383.416 1.450 20 0 GDADMM Cc1ncoc1C(=O)N1CCCC[C@@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001571226649 953157089 /nfs/dbraw/zinc/15/70/89/953157089.db2.gz UPUPOEPBUUVWHO-GFCCVEGCSA-N -1 1 383.416 1.450 20 0 GDADMM Cc1ncoc1C(=O)N1CCCC[C@@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001571226649 953157091 /nfs/dbraw/zinc/15/70/91/953157091.db2.gz UPUPOEPBUUVWHO-GFCCVEGCSA-N -1 1 383.416 1.450 20 0 GDADMM Cc1cnoc1C(=O)N[C@@H]1CCCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571227095 953158285 /nfs/dbraw/zinc/15/82/85/953158285.db2.gz YLJJXXCMDUKDJX-VXGBXAGGSA-N -1 1 383.416 1.354 20 0 GDADMM Cc1cnoc1C(=O)N[C@@H]1CCCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571227095 953158288 /nfs/dbraw/zinc/15/82/88/953158288.db2.gz YLJJXXCMDUKDJX-VXGBXAGGSA-N -1 1 383.416 1.354 20 0 GDADMM O=C(Cc1ccon1)N1CCCCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571228243 953163200 /nfs/dbraw/zinc/16/32/00/953163200.db2.gz LQBLRFJFSDBYCV-ZDUSSCGKSA-N -1 1 383.416 1.071 20 0 GDADMM O=C(Cc1ccon1)N1CCCCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571228243 953163202 /nfs/dbraw/zinc/16/32/02/953163202.db2.gz LQBLRFJFSDBYCV-ZDUSSCGKSA-N -1 1 383.416 1.071 20 0 GDADMM C[C@@]1(C(=O)N2CC[C@@H](Nc3snc(Cl)c3-c3nnn[n-]3)C2)CCOC1 ZINC001571234715 953204338 /nfs/dbraw/zinc/20/43/38/953204338.db2.gz GLVFZKGDVWTTAS-XLKFXECMSA-N -1 1 383.865 1.416 20 0 GDADMM C[C@@]1(C(=O)N2CC[C@@H](Nc3snc(Cl)c3-c3nn[n-]n3)C2)CCOC1 ZINC001571234715 953204340 /nfs/dbraw/zinc/20/43/40/953204340.db2.gz GLVFZKGDVWTTAS-XLKFXECMSA-N -1 1 383.865 1.416 20 0 GDADMM C[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571235120 953208776 /nfs/dbraw/zinc/20/87/76/953208776.db2.gz UKGCABKGFWWBFJ-JBDRJPRFSA-N -1 1 383.865 1.461 20 0 GDADMM C[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571235120 953208778 /nfs/dbraw/zinc/20/87/78/953208778.db2.gz UKGCABKGFWWBFJ-JBDRJPRFSA-N -1 1 383.865 1.461 20 0 GDADMM CCOC(=O)C1=CC[C@@H](NC(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571235181 953209113 /nfs/dbraw/zinc/20/91/13/953209113.db2.gz WEHKNXJNHPJALF-SSDOTTSWSA-N -1 1 383.821 1.750 20 0 GDADMM O=C([C@@H]1CCOC1)N1CCC[C@@H]1CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001571235269 953210302 /nfs/dbraw/zinc/21/03/02/953210302.db2.gz YPFRYPNCBFXARN-RKDXNWHRSA-N -1 1 383.865 1.416 20 0 GDADMM O=C([C@@H]1CCOC1)N1CCC(Nc2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC001571235217 953210913 /nfs/dbraw/zinc/21/09/13/953210913.db2.gz XJCMWHRKLBQAKA-MRVPVSSYSA-N -1 1 383.865 1.416 20 0 GDADMM O=C([C@@H]1CCOC1)N1CCC(Nc2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC001571235217 953210918 /nfs/dbraw/zinc/21/09/18/953210918.db2.gz XJCMWHRKLBQAKA-MRVPVSSYSA-N -1 1 383.865 1.416 20 0 GDADMM COc1ccccc1N1CC[C@H](NC(=O)c2ccsc2-c2nnn[n-]2)C1=O ZINC001571241573 953247029 /nfs/dbraw/zinc/24/70/29/953247029.db2.gz DTHUKHHBHIFHQO-NSHDSACASA-N -1 1 384.421 1.472 20 0 GDADMM COc1ccccc1N1CC[C@H](NC(=O)c2ccsc2-c2nn[n-]n2)C1=O ZINC001571241573 953247032 /nfs/dbraw/zinc/24/70/32/953247032.db2.gz DTHUKHHBHIFHQO-NSHDSACASA-N -1 1 384.421 1.472 20 0 GDADMM Cc1cc(NC(=O)c2ccsc2-c2nnn[n-]2)ccc1N1CCOCC1=O ZINC001571242213 953253939 /nfs/dbraw/zinc/25/39/39/953253939.db2.gz WTQOPESEVVGQTC-UHFFFAOYSA-N -1 1 384.421 1.852 20 0 GDADMM Cc1cc(NC(=O)c2ccsc2-c2nn[n-]n2)ccc1N1CCOCC1=O ZINC001571242213 953253944 /nfs/dbraw/zinc/25/39/44/953253944.db2.gz WTQOPESEVVGQTC-UHFFFAOYSA-N -1 1 384.421 1.852 20 0 GDADMM Cc1nsc(N2CCC[C@H]2CNC(=O)c2ncccc2C)c1-c1nn[n-]n1 ZINC001571244629 953265635 /nfs/dbraw/zinc/26/56/35/953265635.db2.gz CMFRRSYQEWABKO-LBPRGKRZSA-N -1 1 384.469 1.734 20 0 GDADMM Cc1nsc(N2C[C@@H](C)[C@H](NC(=O)c3ccnc(C)c3)C2)c1-c1nn[n-]n1 ZINC001571244681 953265935 /nfs/dbraw/zinc/26/59/35/953265935.db2.gz DQYJEGDHKIANMG-NOZJJQNGSA-N -1 1 384.469 1.590 20 0 GDADMM Cc1cc(C)c(C(=O)N2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)CC2)s1 ZINC001571244711 953266709 /nfs/dbraw/zinc/26/67/09/953266709.db2.gz GAEZPRUDSLWGDH-UHFFFAOYSA-N -1 1 384.469 1.606 20 0 GDADMM Cc1cc(C)c(C(=O)N2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)CC2)s1 ZINC001571244711 953266711 /nfs/dbraw/zinc/26/67/11/953266711.db2.gz GAEZPRUDSLWGDH-UHFFFAOYSA-N -1 1 384.469 1.606 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)[C@@H]2C)s1 ZINC001571244883 953268276 /nfs/dbraw/zinc/26/82/76/953268276.db2.gz LBZZBYSLEMJISH-WCQYABFASA-N -1 1 384.469 1.671 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)[C@@H]2C)s1 ZINC001571244883 953268278 /nfs/dbraw/zinc/26/82/78/953268278.db2.gz LBZZBYSLEMJISH-WCQYABFASA-N -1 1 384.469 1.671 20 0 GDADMM Cc1ccsc1C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)[C@H]1C ZINC001571244903 953268323 /nfs/dbraw/zinc/26/83/23/953268323.db2.gz LRHNLUHQJBWAKU-NWDGAFQWSA-N -1 1 384.469 1.814 20 0 GDADMM Cc1ccsc1C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)[C@H]1C ZINC001571244903 953268325 /nfs/dbraw/zinc/26/83/25/953268325.db2.gz LRHNLUHQJBWAKU-NWDGAFQWSA-N -1 1 384.469 1.814 20 0 GDADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)CCc2ccsc2)C1 ZINC001571245229 953271261 /nfs/dbraw/zinc/27/12/61/953271261.db2.gz PUVWKXQOSRZVAZ-CYBMUJFWSA-N -1 1 384.469 1.388 20 0 GDADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)CCc2ccsc2)C1 ZINC001571245229 953271263 /nfs/dbraw/zinc/27/12/63/953271263.db2.gz PUVWKXQOSRZVAZ-CYBMUJFWSA-N -1 1 384.469 1.388 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCN(C(=O)Cc3cccs3)C2)n1 ZINC001571245236 953271546 /nfs/dbraw/zinc/27/15/46/953271546.db2.gz PXEOTVFSMBQCJH-GFCCVEGCSA-N -1 1 384.469 1.672 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCN(C(=O)Cc3cccs3)C2)n1 ZINC001571245236 953271548 /nfs/dbraw/zinc/27/15/48/953271548.db2.gz PXEOTVFSMBQCJH-GFCCVEGCSA-N -1 1 384.469 1.672 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](NC(=O)[C@@H](C)c3cccs3)C2)n1 ZINC001571245270 953272221 /nfs/dbraw/zinc/27/22/21/953272221.db2.gz RCDFMRBNJKHRLA-NWDGAFQWSA-N -1 1 384.469 1.525 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)[C@@H](C)c3cccs3)C2)n1 ZINC001571245270 953272224 /nfs/dbraw/zinc/27/22/24/953272224.db2.gz RCDFMRBNJKHRLA-NWDGAFQWSA-N -1 1 384.469 1.525 20 0 GDADMM Cc1scc(C(=O)NC[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1C ZINC001571248602 953295538 /nfs/dbraw/zinc/29/55/38/953295538.db2.gz WHNHOGUSAAOPDF-GFCCVEGCSA-N -1 1 384.469 1.591 20 0 GDADMM CC(C)[C@H](C)C(=O)N1CCC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001571249479 953305599 /nfs/dbraw/zinc/30/55/99/953305599.db2.gz JPLCPVXJUAHOGB-LIRRHRJNSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)[C@H](C)C(=O)N1CCC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001571249479 953305604 /nfs/dbraw/zinc/30/56/04/953305604.db2.gz JPLCPVXJUAHOGB-LIRRHRJNSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H]1C[C@H](NC(=O)C2C(C)(C)C2(C)C)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571251618 953318922 /nfs/dbraw/zinc/31/89/22/953318922.db2.gz ZYDMGHHSCZBDTP-VXGBXAGGSA-N -1 1 384.488 1.812 20 0 GDADMM C[C@@H]1C[C@H](NC(=O)C2C(C)(C)C2(C)C)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571251618 953318926 /nfs/dbraw/zinc/31/89/26/953318926.db2.gz ZYDMGHHSCZBDTP-VXGBXAGGSA-N -1 1 384.488 1.812 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)C2C(C)(C)C2(C)C)C1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571251861 953320404 /nfs/dbraw/zinc/32/04/04/953320404.db2.gz BOVKPSRTZZFUIC-LBPRGKRZSA-N -1 1 384.488 1.624 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)C2C(C)(C)C2(C)C)C1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571251861 953320407 /nfs/dbraw/zinc/32/04/07/953320407.db2.gz BOVKPSRTZZFUIC-LBPRGKRZSA-N -1 1 384.488 1.624 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1NC(=O)C1(C)CCCCCC1 ZINC001571252252 953325230 /nfs/dbraw/zinc/32/52/30/953325230.db2.gz IXWPULBJSQMSFV-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1NC(=O)C1(C)CCCCCC1 ZINC001571252252 953325234 /nfs/dbraw/zinc/32/52/34/953325234.db2.gz IXWPULBJSQMSFV-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM CN(C[C@H]1CCN(C(=O)[C@@H]2CCCC2(C)C)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571252418 953328654 /nfs/dbraw/zinc/32/86/54/953328654.db2.gz MGPBIINSKWHLSZ-KGLIPLIRSA-N -1 1 384.488 1.768 20 0 GDADMM CCc1nc(N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3C(C)C)C2)cc(-c2nnn[n-]2)n1 ZINC001571252927 953333719 /nfs/dbraw/zinc/33/37/19/953333719.db2.gz ZCACMGRQFATTAW-RFQIPJPRSA-N -1 1 384.488 1.818 20 0 GDADMM CCc1nc(N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3C(C)C)C2)cc(-c2nn[n-]n2)n1 ZINC001571252927 953333722 /nfs/dbraw/zinc/33/37/22/953333722.db2.gz ZCACMGRQFATTAW-RFQIPJPRSA-N -1 1 384.488 1.818 20 0 GDADMM CCC[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@H](Nc2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001571252955 953334757 /nfs/dbraw/zinc/33/47/57/953334757.db2.gz ZUMVLASXYKNHPD-AAVRWANBSA-N -1 1 384.488 1.962 20 0 GDADMM CCC[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@H](Nc2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001571252955 953334763 /nfs/dbraw/zinc/33/47/63/953334763.db2.gz ZUMVLASXYKNHPD-AAVRWANBSA-N -1 1 384.488 1.962 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1Cl ZINC001571255079 953345440 /nfs/dbraw/zinc/34/54/40/953345440.db2.gz HMYIRDPMBSNYAS-LLVKDONJSA-N -1 1 384.831 1.709 20 0 GDADMM O=C(N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)c1ccc(Cl)cc1 ZINC001571255802 953355997 /nfs/dbraw/zinc/35/59/97/953355997.db2.gz PZTPGSQWOLLQFJ-CYBMUJFWSA-N -1 1 384.831 1.709 20 0 GDADMM O=C(N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)c1ccc(Cl)cc1 ZINC001571255802 953356006 /nfs/dbraw/zinc/35/60/06/953356006.db2.gz PZTPGSQWOLLQFJ-CYBMUJFWSA-N -1 1 384.831 1.709 20 0 GDADMM Cc1ncoc1C(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1C ZINC001571255794 953356664 /nfs/dbraw/zinc/35/66/64/953356664.db2.gz TZNPABNGHLFXAV-MEBBXXQBSA-N -1 1 385.403 1.553 20 0 GDADMM CN(C)S(=O)(=O)c1cccc(NC(=O)CN2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000424251053 953435346 /nfs/dbraw/zinc/43/53/46/953435346.db2.gz CCNBSLCDVFCXOK-OAHLLOKOSA-N -1 1 397.497 1.595 20 0 GDADMM C[C@@H]1CCN(C(=O)NCCCN2CCN(c3ccccc3)CC2)C[C@@H]1C(=O)[O-] ZINC000517029104 953544181 /nfs/dbraw/zinc/54/41/81/953544181.db2.gz VASLZFWILMEHAK-MJGOQNOKSA-N -1 1 388.512 1.951 20 0 GDADMM CC(=O)Nc1ccc(S(=O)(=O)CCCN2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cc1 ZINC000564968490 953607590 /nfs/dbraw/zinc/60/75/90/953607590.db2.gz WSWVKKPILMDDQA-DYVFJYSZSA-N -1 1 382.482 1.851 20 0 GDADMM C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N([C@@H]2CCN(CC(=O)[O-])C2=O)[C@@H]1C ZINC001589311942 953794011 /nfs/dbraw/zinc/79/40/11/953794011.db2.gz FDKOARUWMBHBRP-KBUPBQIOSA-N -1 1 383.489 1.686 20 0 GDADMM C[C@H]1CN(C(=O)NCCCN2CCN(c3ccccc3)CC2)CC[C@H]1C(=O)[O-] ZINC000626746100 953801051 /nfs/dbraw/zinc/80/10/51/953801051.db2.gz LNMYKFXZCRFWLJ-PKOBYXMFSA-N -1 1 388.512 1.951 20 0 GDADMM COC[C@]1(C(=O)[O-])CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000635018420 953871379 /nfs/dbraw/zinc/87/13/79/953871379.db2.gz HKGCPBBVFKJUEW-HNNXBMFYSA-N -1 1 376.331 1.947 20 0 GDADMM C[C@@H]1CCCN(C(=O)[C@H](Cc2cnc[nH]2)NC(=O)C2CCCCC2)[C@@H]1C(=O)[O-] ZINC001589325037 953895320 /nfs/dbraw/zinc/89/53/20/953895320.db2.gz FWPWIOVDKLRKEO-COXVUDFISA-N -1 1 390.484 1.729 20 0 GDADMM CN(C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)C1CCN(CCC(F)(F)F)CC1 ZINC001593675534 953920365 /nfs/dbraw/zinc/92/03/65/953920365.db2.gz UOOIESKGJZDFBO-CYBMUJFWSA-N -1 1 393.406 1.185 20 0 GDADMM O=C([O-])CN1CC[C@H](N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)C1=O ZINC000662204376 954378277 /nfs/dbraw/zinc/37/82/77/954378277.db2.gz ULUBWDDKKXFMOL-ZFWWWQNUSA-N -1 1 388.399 1.741 20 0 GDADMM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1coc(C2CCC2)n1 ZINC001594891539 954532876 /nfs/dbraw/zinc/53/28/76/954532876.db2.gz WHSOLLAJOYNFGO-ONGXEEELSA-N -1 1 389.330 1.678 20 0 GDADMM O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1C[C@@H]1COC2(CCCCC2)O1 ZINC001594896126 954567011 /nfs/dbraw/zinc/56/70/11/954567011.db2.gz MJXXYUSADWWDBP-UPJWGTAASA-N -1 1 394.390 1.658 20 0 GDADMM O=C([O-])[C@H]1CC(C(=O)N2CCN(CCCCCO)CC2)=NN1c1ccccc1 ZINC001594899449 954609319 /nfs/dbraw/zinc/60/93/19/954609319.db2.gz BFDZDEKHZKKSTL-GOSISDBHSA-N -1 1 388.468 1.013 20 0 GDADMM O=C([O-])C1CCC(O)(CN2C[C@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)CC1 ZINC001594911736 954711090 /nfs/dbraw/zinc/71/10/90/954711090.db2.gz DTBRXWBVOLUQOM-HTLISINNSA-N -1 1 399.431 1.434 20 0 GDADMM O=C([O-])[C@H]1CCCN(c2ccc(CNCc3n[nH]c([C@H]4CCCO4)n3)o2)C1 ZINC001594915945 954753414 /nfs/dbraw/zinc/75/34/14/954753414.db2.gz IMUWEYPSIKVMDM-GXTWGEPZSA-N -1 1 375.429 1.840 20 0 GDADMM COC(=O)C1CC2(C1)CN(Cc1nnc(-c3cccc(F)c3)o1)C[C@H]2C(=O)[O-] ZINC001593825834 955105494 /nfs/dbraw/zinc/10/54/94/955105494.db2.gz NKCTUMAXAKXTSI-MMSRSVNZSA-N -1 1 389.383 1.962 20 0 GDADMM COC(=O)c1cc2[nH]c(NC(=O)[C@H](OC)C(=O)[O-])nc2c(Br)c1 ZINC001593867692 955600884 /nfs/dbraw/zinc/60/08/84/955600884.db2.gz JOBVMNZQMPRTQS-VIFPVBQESA-N -1 1 386.158 1.150 20 0 GDADMM CC(C)C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O)C(=O)[O-] ZINC001603048243 972113814 /nfs/dbraw/zinc/11/38/14/972113814.db2.gz WYIFGDWRVYFVAF-AWEZNQCLSA-N -1 1 384.454 1.406 20 0 GDADMM Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(C(=O)c3cn[nH]c3-c3ccccn3)C2)cn1 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NS(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2cccc3ncccc32)cc1 ZINC000392787766 532300224 /nfs/dbraw/zinc/30/02/24/532300224.db2.gz JYHXFSQXYIFXOO-UHFFFAOYSA-N -1 1 377.447 1.824 20 0 GDADMM CNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(I)c([O-])c1 ZINC000395703626 532301434 /nfs/dbraw/zinc/30/14/34/532301434.db2.gz IFMVRIZCCUGHRI-NSHDSACASA-N -1 1 390.221 1.887 20 0 GDADMM CC(C)(C[N-]S(=O)(=O)c1cc(Br)cnc1Cl)OCCO ZINC000288675055 532302683 /nfs/dbraw/zinc/30/26/83/532302683.db2.gz TVCFPWRJPCSFPZ-UHFFFAOYSA-N -1 1 387.683 1.563 20 0 GDADMM CCc1nnc(C[N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)s1 ZINC000289631103 532329703 /nfs/dbraw/zinc/32/97/03/532329703.db2.gz UGKZZUYBTADJFR-UHFFFAOYSA-N -1 1 375.497 1.291 20 0 GDADMM O=C(CNc1ccc(Cl)c(-c2nnn[n-]2)n1)N1CCN(c2ccccc2)CC1 ZINC000737897642 598829143 /nfs/dbraw/zinc/82/91/43/598829143.db2.gz CUVXDBDJGLKRSX-UHFFFAOYSA-N -1 1 398.858 1.676 20 0 GDADMM O=C(CNc1ccc(Cl)c(-c2nn[n-]n2)n1)N1CCN(c2ccccc2)CC1 ZINC000737897642 598829145 /nfs/dbraw/zinc/82/91/45/598829145.db2.gz CUVXDBDJGLKRSX-UHFFFAOYSA-N -1 1 398.858 1.676 20 0 GDADMM COC(=O)N(C)CC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000736932288 598835946 /nfs/dbraw/zinc/83/59/46/598835946.db2.gz JIZXCZZSFQWRSU-UHFFFAOYSA-N -1 1 386.437 1.910 20 0 GDADMM O=C(CN1CCCC1=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000737878204 598835958 /nfs/dbraw/zinc/83/59/58/598835958.db2.gz ONCPMDPAUHQKEH-UHFFFAOYSA-N -1 1 382.449 1.834 20 0 GDADMM O=C(C[C@@H]1CCOC1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000737821889 598845710 /nfs/dbraw/zinc/84/57/10/598845710.db2.gz NIIMPJSUSSUHAU-LBPRGKRZSA-N -1 1 399.411 1.190 20 0 GDADMM O=C(Cn1cnnc1-c1nn[n-]n1)Nc1ccc(OCc2ccccc2)cc1 ZINC000737987941 598876163 /nfs/dbraw/zinc/87/61/63/598876163.db2.gz DWUPZLFTSSYIEK-UHFFFAOYSA-N -1 1 376.380 1.676 20 0 GDADMM CC(C)NC(=O)CNC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000735884980 598888294 /nfs/dbraw/zinc/88/82/94/598888294.db2.gz SMVYEIPVKJPGND-UHFFFAOYSA-N -1 1 399.480 1.919 20 0 GDADMM O=C(O[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738214871 598901879 /nfs/dbraw/zinc/90/18/79/598901879.db2.gz OCKWZJOADLJIAS-CQSZACIVSA-N -1 1 384.783 1.877 20 0 GDADMM O=C(O[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738214871 598901881 /nfs/dbraw/zinc/90/18/81/598901881.db2.gz OCKWZJOADLJIAS-CQSZACIVSA-N -1 1 384.783 1.877 20 0 GDADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc(F)c(C(N)=O)c1 ZINC000737225965 598947580 /nfs/dbraw/zinc/94/75/80/598947580.db2.gz WKTBGHLDJAGWAJ-UHFFFAOYSA-N -1 1 376.373 1.214 20 0 GDADMM O=C(NCCNc1c2ccccc2nnc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000738074184 598962283 /nfs/dbraw/zinc/96/22/83/598962283.db2.gz HZIKINWFTRRJIS-UHFFFAOYSA-N -1 1 378.371 1.791 20 0 GDADMM O=C(NCCNc1c2ccccc2nnc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000738074184 598962285 /nfs/dbraw/zinc/96/22/85/598962285.db2.gz HZIKINWFTRRJIS-UHFFFAOYSA-N -1 1 378.371 1.791 20 0 GDADMM C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736198890 598987594 /nfs/dbraw/zinc/98/75/94/598987594.db2.gz LJBNPXRLZFANGM-NSHDSACASA-N -1 1 386.437 1.498 20 0 GDADMM C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736198890 598987595 /nfs/dbraw/zinc/98/75/95/598987595.db2.gz LJBNPXRLZFANGM-NSHDSACASA-N -1 1 386.437 1.498 20 0 GDADMM CCc1ccc(C(=O)N2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)cc1 ZINC000736688642 598989982 /nfs/dbraw/zinc/98/99/82/598989982.db2.gz PTCKJXXFECGDPE-UHFFFAOYSA-N -1 1 391.435 1.422 20 0 GDADMM CCc1ccc(C(=O)N2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)cc1 ZINC000736688642 598989983 /nfs/dbraw/zinc/98/99/83/598989983.db2.gz PTCKJXXFECGDPE-UHFFFAOYSA-N -1 1 391.435 1.422 20 0 GDADMM C[C@H]1CN(c2ccc(CNC(=O)c3ccc(-c4nnn[n-]4)nc3)cn2)C[C@H](C)O1 ZINC000736286352 598991998 /nfs/dbraw/zinc/99/19/98/598991998.db2.gz BXWKDVQSOBMDEY-STQMWFEESA-N -1 1 394.439 1.200 20 0 GDADMM C[C@H]1CN(c2ccc(CNC(=O)c3ccc(-c4nn[n-]n4)nc3)cn2)C[C@H](C)O1 ZINC000736286352 598992000 /nfs/dbraw/zinc/99/20/00/598992000.db2.gz BXWKDVQSOBMDEY-STQMWFEESA-N -1 1 394.439 1.200 20 0 GDADMM O=C(N[C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000737999007 598996290 /nfs/dbraw/zinc/99/62/90/598996290.db2.gz QFWZJFZSXDXRRE-KRWDZBQOSA-N -1 1 378.392 1.914 20 0 GDADMM O=C(N[C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000737999007 598996291 /nfs/dbraw/zinc/99/62/91/598996291.db2.gz QFWZJFZSXDXRRE-KRWDZBQOSA-N -1 1 378.392 1.914 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000738258730 599019978 /nfs/dbraw/zinc/01/99/78/599019978.db2.gz MCVBPWNDPNXQAG-UHFFFAOYSA-N -1 1 389.872 1.935 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000738258730 599019980 /nfs/dbraw/zinc/01/99/80/599019980.db2.gz MCVBPWNDPNXQAG-UHFFFAOYSA-N -1 1 389.872 1.935 20 0 GDADMM CCCCNC(=O)c1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736461048 599022031 /nfs/dbraw/zinc/02/20/31/599022031.db2.gz MUDKLWBYTHOVRV-UHFFFAOYSA-N -1 1 379.424 1.722 20 0 GDADMM CCCCNC(=O)c1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736461048 599022032 /nfs/dbraw/zinc/02/20/32/599022032.db2.gz MUDKLWBYTHOVRV-UHFFFAOYSA-N -1 1 379.424 1.722 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCCOC[C@@H]1CCCO1 ZINC000737201362 599056541 /nfs/dbraw/zinc/05/65/41/599056541.db2.gz RPWMVVYTTNHPQQ-ZDUSSCGKSA-N -1 1 391.428 1.256 20 0 GDADMM Cc1ccc([C@H]2CCC[C@@H]2N(C)c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1 ZINC000822233859 599070441 /nfs/dbraw/zinc/07/04/41/599070441.db2.gz WONQHMXLICZCLL-CABCVRRESA-N -1 1 395.467 1.345 20 0 GDADMM CCc1c(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)[nH]c(C)c1C(C)=O ZINC000736668412 599131762 /nfs/dbraw/zinc/13/17/62/599131762.db2.gz XDUNVDIZLOCGQT-UHFFFAOYSA-N -1 1 382.380 1.703 20 0 GDADMM CCc1c(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)[nH]c(C)c1C(C)=O ZINC000736668412 599131764 /nfs/dbraw/zinc/13/17/64/599131764.db2.gz XDUNVDIZLOCGQT-UHFFFAOYSA-N -1 1 382.380 1.703 20 0 GDADMM C[C@@H]1Oc2ccc(C(=O)COC(=O)c3ccc(-c4nnn[n-]4)nc3)cc2NC1=O ZINC000736303187 599131921 /nfs/dbraw/zinc/13/19/21/599131921.db2.gz SFUROASBSUCIFH-VIFPVBQESA-N -1 1 394.347 1.021 20 0 GDADMM C[C@@H]1Oc2ccc(C(=O)COC(=O)c3ccc(-c4nn[n-]n4)nc3)cc2NC1=O ZINC000736303187 599131924 /nfs/dbraw/zinc/13/19/24/599131924.db2.gz SFUROASBSUCIFH-VIFPVBQESA-N -1 1 394.347 1.021 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N1CCc2ccccc2C1 ZINC000736156692 599137510 /nfs/dbraw/zinc/13/75/10/599137510.db2.gz DAYJDBQESDTTDL-LBPRGKRZSA-N -1 1 378.392 1.392 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N1CCc2ccccc2C1 ZINC000736156692 599137514 /nfs/dbraw/zinc/13/75/14/599137514.db2.gz DAYJDBQESDTTDL-LBPRGKRZSA-N -1 1 378.392 1.392 20 0 GDADMM COc1ccccc1[C@H](C)NC(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737143025 599141534 /nfs/dbraw/zinc/14/15/34/599141534.db2.gz RQOJGVSMFWTIKQ-RYUDHWBXSA-N -1 1 396.407 1.693 20 0 GDADMM COc1ccccc1[C@H](C)NC(=O)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737143025 599141536 /nfs/dbraw/zinc/14/15/36/599141536.db2.gz RQOJGVSMFWTIKQ-RYUDHWBXSA-N -1 1 396.407 1.693 20 0 GDADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(Cc2ncc(-c3ccccc3C)o2)c1 ZINC000736942086 599162486 /nfs/dbraw/zinc/16/24/86/599162486.db2.gz YSWPPDLHYRXIII-UHFFFAOYSA-N -1 1 392.375 1.827 20 0 GDADMM CS(=O)(=O)Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000371652727 599165938 /nfs/dbraw/zinc/16/59/38/599165938.db2.gz DXQLIQNWDOGCFH-UHFFFAOYSA-N -1 1 393.450 1.212 20 0 GDADMM O=C(NCc1nn[n-]n1)c1cccc(Oc2cccc(Cl)c2-c2nn[nH]n2)c1 ZINC000738128700 599203290 /nfs/dbraw/zinc/20/32/90/599203290.db2.gz IGNBKOOLSDUHBU-UHFFFAOYSA-N -1 1 397.786 1.756 20 0 GDADMM CCc1cc(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)nc(C)n1 ZINC000736676743 599223885 /nfs/dbraw/zinc/22/38/85/599223885.db2.gz UMGMNJSSBMRDQT-UHFFFAOYSA-N -1 1 382.428 1.816 20 0 GDADMM C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC(C(=O)[O-])CC1 ZINC000262669608 596923605 /nfs/dbraw/zinc/92/36/05/596923605.db2.gz RAVPJZDYNINBTO-JSFDKUKPSA-N -1 1 377.485 1.966 20 0 GDADMM O=C([O-])C[C@@H]1CCCN(CC(=O)Nc2ccc(CN3CCOCC3)cc2)C1 ZINC000819374862 597076112 /nfs/dbraw/zinc/07/61/12/597076112.db2.gz BQXGMJMHRSZENN-KRWDZBQOSA-N -1 1 375.469 1.644 20 0 GDADMM Cc1nn(-c2ccccc2)c(COC(=O)COC2CCOCC2)c1-c1nn[n-]n1 ZINC000737504438 599242573 /nfs/dbraw/zinc/24/25/73/599242573.db2.gz YRGTVVBXLXCNGS-UHFFFAOYSA-N -1 1 398.423 1.600 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000737549540 599249840 /nfs/dbraw/zinc/24/98/40/599249840.db2.gz YLLSGZJGNXKMOK-AWEZNQCLSA-N -1 1 397.439 1.106 20 0 GDADMM C[C@@H](SCC(=O)N=c1cc[nH]cc1-c1nn[n-]n1)c1nc2ccccc2[nH]1 ZINC000736188041 599251810 /nfs/dbraw/zinc/25/18/10/599251810.db2.gz HIUAPLHIDXDONP-SNVBAGLBSA-N -1 1 380.437 1.993 20 0 GDADMM COc1ccc(CNC(C)=O)cc1S(=O)(=O)Nc1ccccc1CC(=O)[O-] ZINC000818591622 597312787 /nfs/dbraw/zinc/31/27/87/597312787.db2.gz SDKGITYHBOXIQV-UHFFFAOYSA-N -1 1 392.433 1.759 20 0 GDADMM O=C([C@H]1CCCO1)N1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000737792430 599256452 /nfs/dbraw/zinc/25/64/52/599256452.db2.gz QCMRXYANNIIYBK-QGZVFWFLSA-N -1 1 379.424 1.243 20 0 GDADMM O=C([C@H]1CCCO1)N1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000737792430 599256453 /nfs/dbraw/zinc/25/64/53/599256453.db2.gz QCMRXYANNIIYBK-QGZVFWFLSA-N -1 1 379.424 1.243 20 0 GDADMM CCc1cnc(CN(C(C)=O)[C@H]2CCN(c3cccc(-c4nnn[n-]4)n3)C2)o1 ZINC000821496851 607304385 /nfs/dbraw/zinc/30/43/85/607304385.db2.gz KGXANSJBIWRYPT-ZDUSSCGKSA-N -1 1 382.428 1.440 20 0 GDADMM CCc1cnc(CN(C(C)=O)[C@H]2CCN(c3cccc(-c4nn[n-]n4)n3)C2)o1 ZINC000821496851 607304386 /nfs/dbraw/zinc/30/43/86/607304386.db2.gz KGXANSJBIWRYPT-ZDUSSCGKSA-N -1 1 382.428 1.440 20 0 GDADMM O=C(CCCc1nc2ccccc2c(=O)[nH]1)N=c1cc[nH]cc1-c1nn[n-]n1 ZINC000737836721 598380746 /nfs/dbraw/zinc/38/07/46/598380746.db2.gz NNSNMJYLQCHJFC-UHFFFAOYSA-N -1 1 376.380 1.294 20 0 GDADMM C[C@H]1CO[C@H](c2ccccc2)CN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736290439 598464234 /nfs/dbraw/zinc/46/42/34/598464234.db2.gz AIDRNVUUUOUMHE-LRDDRELGSA-N -1 1 386.437 1.412 20 0 GDADMM C[C@H]1CO[C@H](c2ccccc2)CN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736290439 598464235 /nfs/dbraw/zinc/46/42/35/598464235.db2.gz AIDRNVUUUOUMHE-LRDDRELGSA-N -1 1 386.437 1.412 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N(C)CCN(C)c2ccccc2)cc1-c1nn[n-]n1 ZINC000737186956 598474234 /nfs/dbraw/zinc/47/42/34/598474234.db2.gz MISWDCXBMKFEIV-UHFFFAOYSA-N -1 1 399.480 1.898 20 0 GDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc(CNC(=O)C2CCCC2)cc1 ZINC000737778109 598528967 /nfs/dbraw/zinc/52/89/67/598528967.db2.gz WRCAWMUZNBCUNC-UHFFFAOYSA-N -1 1 380.412 1.140 20 0 GDADMM CCN1CCN(C2CCN(c3snc(Cl)c3-c3nnn[n-]3)CC2)C1=O ZINC000736568099 598544398 /nfs/dbraw/zinc/54/43/98/598544398.db2.gz AIXHTSCJFRLOSK-UHFFFAOYSA-N -1 1 382.881 1.703 20 0 GDADMM CCN1CCN(C2CCN(c3snc(Cl)c3-c3nn[n-]n3)CC2)C1=O ZINC000736568099 598544399 /nfs/dbraw/zinc/54/43/99/598544399.db2.gz AIXHTSCJFRLOSK-UHFFFAOYSA-N -1 1 382.881 1.703 20 0 GDADMM CSC[C@@H](C)C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000737182216 598557073 /nfs/dbraw/zinc/55/70/73/598557073.db2.gz YHHVITBQIHUVJR-SNVBAGLBSA-N -1 1 377.474 1.380 20 0 GDADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[nH]n3)c2)cc1 ZINC000736949407 598593271 /nfs/dbraw/zinc/59/32/71/598593271.db2.gz RTUBOACHRUZUTF-UHFFFAOYSA-N -1 1 377.357 1.593 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCc1nc(Cc2ccccn2)no1 ZINC000737201098 598612746 /nfs/dbraw/zinc/61/27/46/598612746.db2.gz YROCKQAUVMLMJS-UHFFFAOYSA-N -1 1 378.396 1.738 20 0 GDADMM O=C(COC(=O)c1cscn1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000737916535 598619446 /nfs/dbraw/zinc/61/94/46/598619446.db2.gz WJKOAWUWSLFNAY-UHFFFAOYSA-N -1 1 396.392 1.304 20 0 GDADMM O=C(COC(=O)c1cscn1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737916535 598619448 /nfs/dbraw/zinc/61/94/48/598619448.db2.gz WJKOAWUWSLFNAY-UHFFFAOYSA-N -1 1 396.392 1.304 20 0 GDADMM CCOc1ccc(NC(=O)Cn2nc(CC)c(CC)c(-c3nn[n-]n3)c2=O)cc1 ZINC000736645982 598641541 /nfs/dbraw/zinc/64/15/41/598641541.db2.gz BTTRYJCXIQRCFX-UHFFFAOYSA-N -1 1 397.439 1.586 20 0 GDADMM COc1ccc(CN(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1F ZINC000737091087 598688365 /nfs/dbraw/zinc/68/83/65/598688365.db2.gz PHSXDNVTGVXNQS-UHFFFAOYSA-N -1 1 395.391 1.974 20 0 GDADMM O=C1CCc2cc(OS(=O)(=O)c3ccc(F)c(-c4nn[n-]n4)c3)ccc2N1 ZINC000738301885 598688766 /nfs/dbraw/zinc/68/87/66/598688766.db2.gz FVMSJVGHGJJPBI-UHFFFAOYSA-N -1 1 389.368 1.658 20 0 GDADMM O=C(CSc1ccc(-c2nn[nH]n2)cc1)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000737944197 598700963 /nfs/dbraw/zinc/70/09/63/598700963.db2.gz XDFQXLKETZTFNA-HNNXBMFYSA-N -1 1 393.436 1.378 20 0 GDADMM O=S(=O)(N[C@@H](c1ccccc1)c1cccnc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738330215 598710540 /nfs/dbraw/zinc/71/05/40/598710540.db2.gz RCUMZYOQERZDHB-KRWDZBQOSA-N -1 1 393.432 1.725 20 0 GDADMM O=S(=O)(N[C@@H](c1ccccc1)c1cccnc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738330215 598710542 /nfs/dbraw/zinc/71/05/42/598710542.db2.gz RCUMZYOQERZDHB-KRWDZBQOSA-N -1 1 393.432 1.725 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCS[C@@H](C)C1 ZINC000737487518 598755020 /nfs/dbraw/zinc/75/50/20/598755020.db2.gz LEMPQUNZXGHQCG-JTQLQIEISA-N -1 1 386.485 1.423 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCS[C@@H](C)C1 ZINC000737487518 598755022 /nfs/dbraw/zinc/75/50/22/598755022.db2.gz LEMPQUNZXGHQCG-JTQLQIEISA-N -1 1 386.485 1.423 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCc1nncn1C(C)C ZINC000737546652 598768266 /nfs/dbraw/zinc/76/82/66/598768266.db2.gz DVNJVOKUHHCEMP-UHFFFAOYSA-N -1 1 381.400 1.661 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCc1nncn1C(C)C ZINC000737546652 598768269 /nfs/dbraw/zinc/76/82/69/598768269.db2.gz DVNJVOKUHHCEMP-UHFFFAOYSA-N -1 1 381.400 1.661 20 0 GDADMM CCOC(=O)CCN(C)C(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000736592351 598813239 /nfs/dbraw/zinc/81/32/39/598813239.db2.gz OSPRNRIIPRHNRA-UHFFFAOYSA-N -1 1 390.469 1.886 20 0 GDADMM CCCNc1ccc(-c2nn[nH]n2)cc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000736489446 599313278 /nfs/dbraw/zinc/31/32/78/599313278.db2.gz ZVKAOXXJESMLMU-UHFFFAOYSA-N -1 1 391.413 1.516 20 0 GDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CN(Cc1cccnc1)c1ccccc1 ZINC000737775545 599336154 /nfs/dbraw/zinc/33/61/54/599336154.db2.gz AVOXQNZSKIQOEC-UHFFFAOYSA-N -1 1 375.396 1.387 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCO[C@@H](c2ccccc2)C1 ZINC000823606479 599336549 /nfs/dbraw/zinc/33/65/49/599336549.db2.gz ILWFLHDQPPZJKW-CQSZACIVSA-N -1 1 389.412 1.768 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCO[C@@H](c2ccccc2)C1 ZINC000823606479 599336552 /nfs/dbraw/zinc/33/65/52/599336552.db2.gz ILWFLHDQPPZJKW-CQSZACIVSA-N -1 1 389.412 1.768 20 0 GDADMM O=C(N[C@@H]1CCSC1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000823155455 599469608 /nfs/dbraw/zinc/46/96/08/599469608.db2.gz SSNVSZHZTIORHJ-LLVKDONJSA-N -1 1 390.473 1.069 20 0 GDADMM CC1=NC(=S)N[C@@H](c2ccc(-c3nnn[n-]3)o2)C1C(=O)OCc1ccccc1 ZINC000820642012 599491989 /nfs/dbraw/zinc/49/19/89/599491989.db2.gz GHOFWWBBCIXVSR-HNNXBMFYSA-N -1 1 396.432 1.996 20 0 GDADMM CC1=NC(=S)N[C@@H](c2ccc(-c3nn[n-]n3)o2)C1C(=O)OCc1ccccc1 ZINC000820642012 599491991 /nfs/dbraw/zinc/49/19/91/599491991.db2.gz GHOFWWBBCIXVSR-HNNXBMFYSA-N -1 1 396.432 1.996 20 0 GDADMM COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)N[C@H]1c1ccc(-c2nnn[n-]2)o1 ZINC000821653787 599493210 /nfs/dbraw/zinc/49/32/10/599493210.db2.gz KUQZCZVSUQGUBT-YGRLFVJLSA-N -1 1 388.384 1.152 20 0 GDADMM COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)N[C@H]1c1ccc(-c2nn[n-]n2)o1 ZINC000821653787 599493213 /nfs/dbraw/zinc/49/32/13/599493213.db2.gz KUQZCZVSUQGUBT-YGRLFVJLSA-N -1 1 388.384 1.152 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCc2cn3cccc(C)c3n2)cc1-c1nn[n-]n1 ZINC000737187744 599495692 /nfs/dbraw/zinc/49/56/92/599495692.db2.gz TWZUCWOMZQPYNV-UHFFFAOYSA-N -1 1 396.436 1.575 20 0 GDADMM C[C@H](C(=O)OC(C)(C)C)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000735571597 599580149 /nfs/dbraw/zinc/58/01/49/599580149.db2.gz ZJNZLMKJJVGVAZ-LLVKDONJSA-N -1 1 389.460 1.584 20 0 GDADMM CCC[C@@H](CCc1ccccc1)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000821020867 599581989 /nfs/dbraw/zinc/58/19/89/599581989.db2.gz IVKVGYTXTLDLPY-AWEZNQCLSA-N -1 1 383.456 1.478 20 0 GDADMM C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)[C@H](C)CO1 ZINC000736289404 599593389 /nfs/dbraw/zinc/59/33/89/599593389.db2.gz LIHSZOVUWOWFLV-RKDXNWHRSA-N -1 1 391.375 1.683 20 0 GDADMM CNC(=O)c1cccc(C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)c1 ZINC000821636498 599666803 /nfs/dbraw/zinc/66/68/03/599666803.db2.gz SJXUKRPQHMUKFT-UHFFFAOYSA-N -1 1 398.379 1.232 20 0 GDADMM Cc1oc(NC(=O)COC(=O)CC[C@@H]2CC[C@H](C)O2)c(-c2nn[n-]n2)c1C ZINC000822548278 599672143 /nfs/dbraw/zinc/67/21/43/599672143.db2.gz HBUHYFLHKRUDIL-CABZTGNLSA-N -1 1 377.401 1.906 20 0 GDADMM Cn1ccnc1[C@@H](O)C1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000822699089 607387471 /nfs/dbraw/zinc/38/74/71/607387471.db2.gz NVRFMKFCAYLPHU-KRWDZBQOSA-N -1 1 391.439 1.493 20 0 GDADMM Cn1ccnc1[C@@H](O)C1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000822699089 607387474 /nfs/dbraw/zinc/38/74/74/607387474.db2.gz NVRFMKFCAYLPHU-KRWDZBQOSA-N -1 1 391.439 1.493 20 0 GDADMM O=C([O-])CN(Cc1ccccc1)C(=O)CCNC(=O)c1n[nH]c2ccccc21 ZINC000738607782 599709415 /nfs/dbraw/zinc/70/94/15/599709415.db2.gz VGMCBHKWSOPKSQ-UHFFFAOYSA-N -1 1 380.404 1.796 20 0 GDADMM O=C([O-])c1cccc(NC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)c1O ZINC000739309344 599718136 /nfs/dbraw/zinc/71/81/36/599718136.db2.gz WWQUMBSBIXTARU-UHFFFAOYSA-N -1 1 381.344 1.300 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc(C(N)=O)cc2C)c(C(=O)[O-])s1 ZINC000737680810 599813513 /nfs/dbraw/zinc/81/35/13/599813513.db2.gz MDAMANRKHQJTNB-UHFFFAOYSA-N -1 1 398.418 1.441 20 0 GDADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC000736652194 599826586 /nfs/dbraw/zinc/82/65/86/599826586.db2.gz ARLKXSHVHLGZDR-VIFPVBQESA-N -1 1 392.375 1.894 20 0 GDADMM CC(C)c1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cn1 ZINC000820187749 607403295 /nfs/dbraw/zinc/40/32/95/607403295.db2.gz PGUPMTIFRWFKCV-ZDUSSCGKSA-N -1 1 393.455 1.526 20 0 GDADMM CC(C)c1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cn1 ZINC000820187749 607403297 /nfs/dbraw/zinc/40/32/97/607403297.db2.gz PGUPMTIFRWFKCV-ZDUSSCGKSA-N -1 1 393.455 1.526 20 0 GDADMM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC(NC(=O)CC2CCCC2)CC1 ZINC000736204613 599977242 /nfs/dbraw/zinc/97/72/42/599977242.db2.gz JOMIDGUHMVYOCJ-OAHLLOKOSA-N -1 1 393.528 1.859 20 0 GDADMM COC(=O)c1ccc(OC)cc1NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000609447180 600005851 /nfs/dbraw/zinc/00/58/51/600005851.db2.gz AGRQVCFVNBITGV-UHFFFAOYSA-N -1 1 395.389 1.746 20 0 GDADMM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N2CC[C@@H](N3CCCC3)C2)c1 ZINC000737681778 600035620 /nfs/dbraw/zinc/03/56/20/600035620.db2.gz KVOLBVFWZIYBKL-CYBMUJFWSA-N -1 1 382.438 1.030 20 0 GDADMM COc1ccc(CNC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)cc1C(=O)[O-] ZINC000738001468 600036789 /nfs/dbraw/zinc/03/67/89/600036789.db2.gz DXLXMGHUIKHDSG-HOTGVXAUSA-N -1 1 377.441 1.134 20 0 GDADMM O=C([O-])C1CCN(C(=O)CN2CCC(n3cc(Br)cn3)CC2)CC1 ZINC000738545453 600081012 /nfs/dbraw/zinc/08/10/12/600081012.db2.gz SNXPFQIFQRKLJJ-UHFFFAOYSA-N -1 1 399.289 1.606 20 0 GDADMM CN(C1CCN(CCn2cccn2)CC1)S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000737387103 600083954 /nfs/dbraw/zinc/08/39/54/600083954.db2.gz PQPDXJXYJTXOBL-UHFFFAOYSA-N -1 1 398.510 1.428 20 0 GDADMM CC(=O)C(C)(C)CCC(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000819783514 607420553 /nfs/dbraw/zinc/42/05/53/607420553.db2.gz YTFJYNBKIXXJNW-UHFFFAOYSA-N -1 1 377.401 1.954 20 0 GDADMM O=C([O-])c1ccccc1NC(=O)CN[C@H](CN1CCOCC1)c1ccccc1 ZINC000738470435 600120056 /nfs/dbraw/zinc/12/00/56/600120056.db2.gz ZJWNHWQQGZAMKY-LJQANCHMSA-N -1 1 383.448 1.986 20 0 GDADMM CN(C(=O)CCNC(=O)c1n[nH]c2ccccc21)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737320449 600193114 /nfs/dbraw/zinc/19/31/14/600193114.db2.gz ZQADZZJLSWQNHY-GOSISDBHSA-N -1 1 380.404 1.967 20 0 GDADMM O=C([O-])c1cccc(CS(=O)(=O)N2CCCN(C[C@@H]3CCCO3)CC2)c1 ZINC000740226238 600229012 /nfs/dbraw/zinc/22/90/12/600229012.db2.gz FRCHMZIDPYINGM-KRWDZBQOSA-N -1 1 382.482 1.401 20 0 GDADMM COc1ccc(Cl)cc1CN1CCN(CCC(=O)N(C)CC(=O)[O-])CC1 ZINC000738014752 600289135 /nfs/dbraw/zinc/28/91/35/600289135.db2.gz ZCMKSQJGJYXXDG-UHFFFAOYSA-N 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C[C@@H]1CN(C(=O)NC2CCN(Cc3ccccn3)CC2)C[C@@H](C)N1C(=O)[O-] ZINC000739139479 602889049 /nfs/dbraw/zinc/88/90/49/602889049.db2.gz XJMRSVSGLFISDK-HUUCEWRRSA-N -1 1 375.473 1.828 20 0 GDADMM COc1ccccc1[C@H](CNC(=O)N1CCN(C2CCC2)CC1)NC(=O)[O-] ZINC000739964162 602960455 /nfs/dbraw/zinc/96/04/55/602960455.db2.gz QRKZMAHPNPTBIA-INIZCTEOSA-N -1 1 376.457 1.884 20 0 GDADMM CN(C[C@H]1CCCN(C(=O)CCN2CCN(c3ccccn3)CC2)C1)C(=O)[O-] ZINC000739634244 602974413 /nfs/dbraw/zinc/97/44/13/602974413.db2.gz OSHBCFGZFUJISB-QGZVFWFLSA-N -1 1 389.500 1.442 20 0 GDADMM CCN1CCN(c2ccc(CNC(=O)[C@@H]3CCC[C@H]3NC(=O)[O-])cn2)CC1 ZINC000739454754 603024601 /nfs/dbraw/zinc/02/46/01/603024601.db2.gz ARPHLXVJLHRJKV-HZPDHXFCSA-N -1 1 375.473 1.276 20 0 GDADMM NC(=O)c1ccc(Cl)cc1OS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826393114 607601216 /nfs/dbraw/zinc/60/12/16/607601216.db2.gz CBEXCTBEQWPQBH-UHFFFAOYSA-N -1 1 397.775 1.526 20 0 GDADMM NC(=O)c1ccc(Cl)cc1OS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826393114 607601217 /nfs/dbraw/zinc/60/12/17/607601217.db2.gz CBEXCTBEQWPQBH-UHFFFAOYSA-N -1 1 397.775 1.526 20 0 GDADMM Cc1cc(C)n(-c2ccc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)cn2)n1 ZINC000826265411 607601380 /nfs/dbraw/zinc/60/13/80/607601380.db2.gz XYYJBUZBSNNWHL-UHFFFAOYSA-N -1 1 376.380 1.816 20 0 GDADMM Cc1cc(C)n(-c2ccc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)cn2)n1 ZINC000826265411 607601381 /nfs/dbraw/zinc/60/13/81/607601381.db2.gz XYYJBUZBSNNWHL-UHFFFAOYSA-N -1 1 376.380 1.816 20 0 GDADMM CCOc1ccccc1CCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825654221 607606227 /nfs/dbraw/zinc/60/62/27/607606227.db2.gz SERBWPBKFAEYPZ-UHFFFAOYSA-N -1 1 391.428 1.926 20 0 GDADMM CCOc1ccccc1CCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825654221 607606229 /nfs/dbraw/zinc/60/62/29/607606229.db2.gz SERBWPBKFAEYPZ-UHFFFAOYSA-N -1 1 391.428 1.926 20 0 GDADMM CN(C)[C@@H](CNC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1)c1cccc(F)c1 ZINC000739604640 603108038 /nfs/dbraw/zinc/10/80/38/603108038.db2.gz ZMHYZWXPVJPBFA-INIZCTEOSA-N -1 1 380.464 1.619 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCO[C@H](c2nccs2)C1 ZINC000826496182 607614132 /nfs/dbraw/zinc/61/41/32/607614132.db2.gz NRRCSHUGANPCCL-JTQLQIEISA-N -1 1 396.429 1.225 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCO[C@H](c2nccs2)C1 ZINC000826496182 607614134 /nfs/dbraw/zinc/61/41/34/607614134.db2.gz NRRCSHUGANPCCL-JTQLQIEISA-N -1 1 396.429 1.225 20 0 GDADMM O=C([O-])N1CCC[C@@H](NC(=O)CCn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000739268594 603216053 /nfs/dbraw/zinc/21/60/53/603216053.db2.gz NEQQKMOTBOHQPW-LLVKDONJSA-N -1 1 376.438 1.334 20 0 GDADMM CN1CCN(c2cc(CNC(=O)[C@H]3CCC[C@@H](NC(=O)[O-])C3)ccn2)CC1 ZINC000739735655 603241471 /nfs/dbraw/zinc/24/14/71/603241471.db2.gz BUMBXOYYDZUQDX-JKSUJKDBSA-N -1 1 375.473 1.276 20 0 GDADMM CN(CCCNC(=O)[O-])CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000739677047 603254244 /nfs/dbraw/zinc/25/42/44/603254244.db2.gz SCCDGIDXSAUOBO-UHFFFAOYSA-N -1 1 376.457 1.453 20 0 GDADMM CSCCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826228998 607618323 /nfs/dbraw/zinc/61/83/23/607618323.db2.gz KJOVPRCQLWJLSL-UHFFFAOYSA-N -1 1 381.405 1.917 20 0 GDADMM C[C@H](CN1CCN(C)CC1)NC(=O)Nc1cccc2c1CCN(C(=O)[O-])C2 ZINC000738908999 603288547 /nfs/dbraw/zinc/28/85/47/603288547.db2.gz CIMOJWZUDBSYBP-CQSZACIVSA-N -1 1 375.473 1.480 20 0 GDADMM CCCN(CCO)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825313681 607622459 /nfs/dbraw/zinc/62/24/59/607622459.db2.gz ODFWQTPYPGFUTH-UHFFFAOYSA-N -1 1 379.364 1.279 20 0 GDADMM O=S(=O)(N[C@H]1CCCC[C@@H]1O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826488272 607624511 /nfs/dbraw/zinc/62/45/11/607624511.db2.gz MAQJBODMTOYTJU-QWRGUYRKSA-N -1 1 391.375 1.467 20 0 GDADMM C[C@H]1CN(CC(=O)N2CCN(Cc3cccs3)CC2)CC[C@H]1NC(=O)[O-] ZINC000739174526 603413458 /nfs/dbraw/zinc/41/34/58/603413458.db2.gz PAGVAHPSEPMPHP-GOEBONIOSA-N -1 1 380.514 1.370 20 0 GDADMM C[C@](CO)(NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000824435216 607628975 /nfs/dbraw/zinc/62/89/75/607628975.db2.gz MXIWAQYUCVAXDP-MRXNPFEDSA-N -1 1 377.401 1.192 20 0 GDADMM Cc1nc([C@H]2CN(C(=O)Nc3cccc(OCCNC(=O)[O-])c3)CCO2)n[nH]1 ZINC000830677902 603454784 /nfs/dbraw/zinc/45/47/84/603454784.db2.gz KORWVWDAGJVDNV-CQSZACIVSA-N -1 1 390.400 1.365 20 0 GDADMM Cc1nnc([C@@H]2CN(C(=O)N[C@@H](CNC(=O)[O-])C3CCCCC3)CCO2)[nH]1 ZINC000830677165 603481515 /nfs/dbraw/zinc/48/15/15/603481515.db2.gz DJQVXNRUJTYSNK-KBPBESRZSA-N -1 1 380.449 1.413 20 0 GDADMM CCN1CCN(c2ccc(CNC(=O)[C@H]3CC[C@H](NC(=O)[O-])C3)cn2)CC1 ZINC000827229266 603483712 /nfs/dbraw/zinc/48/37/12/603483712.db2.gz ZBORIJBCWIKYBZ-HOTGVXAUSA-N -1 1 375.473 1.276 20 0 GDADMM CN(CC(C)(C)CNC(=O)[O-])C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000828138183 603524466 /nfs/dbraw/zinc/52/44/66/603524466.db2.gz TXWVEUGQUZSJSF-UHFFFAOYSA-N -1 1 377.489 1.981 20 0 GDADMM CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000828042889 603563180 /nfs/dbraw/zinc/56/31/80/603563180.db2.gz TUMSUJDJTWCTDL-CQSZACIVSA-N -1 1 377.445 1.453 20 0 GDADMM O=C([O-])N[C@H](CC(=O)N1CCN(C[C@H]2CCOC2)CC1)Cc1ccccc1 ZINC000832098891 603583128 /nfs/dbraw/zinc/58/31/28/603583128.db2.gz JBWBLVZIQBKKSX-MSOLQXFVSA-N -1 1 375.469 1.436 20 0 GDADMM CCCCNC(=O)[C@H]1CC[C@H](C)N(CN2CC3(CN(C(=O)[O-])C3)CC2=O)C1 ZINC000826836675 603586465 /nfs/dbraw/zinc/58/64/65/603586465.db2.gz OTUKHWLNDRAUKU-GJZGRUSLSA-N -1 1 380.489 1.173 20 0 GDADMM Cc1oc(NC(=O)CN2CCOC[C@@H]2Cc2ccccc2)c(-c2nn[n-]n2)c1C ZINC000826341417 607638963 /nfs/dbraw/zinc/63/89/63/607638963.db2.gz HMTWBQMENBRYAG-INIZCTEOSA-N -1 1 396.451 1.959 20 0 GDADMM CN(CN1C(=O)N[C@]2(CCCC[C@H]2CNC(=O)[O-])C1=O)C(C1CC1)C1CC1 ZINC000828345440 603597344 /nfs/dbraw/zinc/59/73/44/603597344.db2.gz CPEWIHMKBZSENZ-LIRRHRJNSA-N -1 1 378.473 1.813 20 0 GDADMM O=C([O-])NC[C@H]1CCCC[C@]12NC(=O)N(CN(CC1CC1)CC1CC1)C2=O ZINC000832498792 603605020 /nfs/dbraw/zinc/60/50/20/603605020.db2.gz LOWVIOLSYKOEMN-BEFAXECRSA-N -1 1 378.473 1.814 20 0 GDADMM C[C@H](CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)CC1(C)OCCO1 ZINC000824426183 607641009 /nfs/dbraw/zinc/64/10/09/607641009.db2.gz BGQNAPUXVLZPSI-JTQLQIEISA-N -1 1 385.421 1.073 20 0 GDADMM C[C@H](CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)CC1(C)OCCO1 ZINC000824426183 607641011 /nfs/dbraw/zinc/64/10/11/607641011.db2.gz BGQNAPUXVLZPSI-JTQLQIEISA-N -1 1 385.421 1.073 20 0 GDADMM COc1ccc([C@H](CNC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])N2CCCC2)cc1 ZINC000829309741 603633200 /nfs/dbraw/zinc/63/32/00/603633200.db2.gz DKGKMOMYPXKYOB-UAGQMJEPSA-N -1 1 377.441 1.062 20 0 GDADMM O=S(=O)(NC[C@H](O)c1c(F)cccc1F)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826489507 607643248 /nfs/dbraw/zinc/64/32/48/607643248.db2.gz RKBIIFAQNWKLRN-LBPRGKRZSA-N -1 1 399.354 1.296 20 0 GDADMM O=S(=O)(NC[C@@H](CCO)c1ccccc1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826489258 607643323 /nfs/dbraw/zinc/64/33/23/607643323.db2.gz LDZWRJOVAWPSFV-CYBMUJFWSA-N -1 1 391.428 1.450 20 0 GDADMM O=S(=O)(NC[C@@H](CCO)c1ccccc1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826489258 607643325 /nfs/dbraw/zinc/64/33/25/607643325.db2.gz LDZWRJOVAWPSFV-CYBMUJFWSA-N -1 1 391.428 1.450 20 0 GDADMM C[C@@H](NC(=O)c1cccc(CN2CCN(C)CC2)c1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000825465989 603727276 /nfs/dbraw/zinc/72/72/76/603727276.db2.gz POYLDYZNXNWTGS-VQIMIIECSA-N -1 1 388.512 1.942 20 0 GDADMM C[C@H]1CN(C(=O)CCN2CCN(c3ccccn3)CC2)CC[C@H]1NC(=O)[O-] ZINC000825983631 603830441 /nfs/dbraw/zinc/83/04/41/603830441.db2.gz MEUNLAXXVQEPOT-JKSUJKDBSA-N -1 1 375.473 1.098 20 0 GDADMM CNC(=O)[C@@H](NC(=O)CN(C)C1CCC(NC(=O)[O-])CC1)c1ccccc1 ZINC000828526228 603837066 /nfs/dbraw/zinc/83/70/66/603837066.db2.gz JBQJBXADCHPSKF-DQPZFDDXSA-N -1 1 376.457 1.101 20 0 GDADMM O=S(=O)(NCC[C@@H](O)c1ccccc1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826490673 607654928 /nfs/dbraw/zinc/65/49/28/607654928.db2.gz CUOWZDBBYAPWFB-CYBMUJFWSA-N -1 1 377.401 1.408 20 0 GDADMM O=S(=O)(NCC[C@@H](O)c1ccccc1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826490673 607654930 /nfs/dbraw/zinc/65/49/30/607654930.db2.gz CUOWZDBBYAPWFB-CYBMUJFWSA-N -1 1 377.401 1.408 20 0 GDADMM O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)CCN1CCN(c2ccccn2)CC1 ZINC000832457767 603846069 /nfs/dbraw/zinc/84/60/69/603846069.db2.gz KZZDANZLENVJRK-HOTGVXAUSA-N -1 1 375.473 1.146 20 0 GDADMM CCC(CC)(CCO)CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825090293 607657316 /nfs/dbraw/zinc/65/73/16/607657316.db2.gz VQKPWVHDLQSNHQ-UHFFFAOYSA-N -1 1 387.893 1.987 20 0 GDADMM CCC(CC)(CCO)CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825090293 607657317 /nfs/dbraw/zinc/65/73/17/607657317.db2.gz VQKPWVHDLQSNHQ-UHFFFAOYSA-N -1 1 387.893 1.987 20 0 GDADMM O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000832469199 603888163 /nfs/dbraw/zinc/88/81/63/603888163.db2.gz VSUCYGYLTLTJMC-JKSUJKDBSA-N -1 1 382.505 1.757 20 0 GDADMM Cn1cccc1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826364364 607657948 /nfs/dbraw/zinc/65/79/48/607657948.db2.gz TWUDVWCPUMDOSZ-UHFFFAOYSA-N -1 1 386.359 1.703 20 0 GDADMM O=C([O-])N1CCN(C(=O)[C@@H]2CCCN(CN3C(=O)[C@@H]4CCCCC[C@@H]43)C2)CC1 ZINC000832019003 603907273 /nfs/dbraw/zinc/90/72/73/603907273.db2.gz UJZTUNJRZZRFBB-ZACQAIPSSA-N -1 1 392.500 1.269 20 0 GDADMM CC1(C)CN(C(=O)[O-])CCN1CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000825729294 603916464 /nfs/dbraw/zinc/91/64/64/603916464.db2.gz SLLJMDAURIWWNI-UHFFFAOYSA-N -1 1 390.484 1.926 20 0 GDADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)[O-] ZINC000825460224 603920928 /nfs/dbraw/zinc/92/09/28/603920928.db2.gz ZGQIWBAXOCCJMW-OUCADQQQSA-N -1 1 387.440 1.624 20 0 GDADMM O=S(=O)(NCCOCc1ccccc1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826491527 607660253 /nfs/dbraw/zinc/66/02/53/607660253.db2.gz NPVCYJMJSTWRTK-UHFFFAOYSA-N -1 1 377.401 1.501 20 0 GDADMM O=S(=O)(NCCOCc1ccccc1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826491527 607660255 /nfs/dbraw/zinc/66/02/55/607660255.db2.gz NPVCYJMJSTWRTK-UHFFFAOYSA-N -1 1 377.401 1.501 20 0 GDADMM C[C@H](NC(=O)[C@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)[O-])c1nnc[nH]1 ZINC000825459299 603938858 /nfs/dbraw/zinc/93/88/58/603938858.db2.gz NROIZFMOIRTHLT-WFASDCNBSA-N -1 1 383.412 1.106 20 0 GDADMM CC(C)[C@@](C)(CNC(=O)[O-])NC(=O)[C@H](C)NC(=O)c1n[nH]c2ccccc21 ZINC000825460078 603940252 /nfs/dbraw/zinc/94/02/52/603940252.db2.gz WPIGDIPRRDQNGF-BBATYDOGSA-N -1 1 375.429 1.480 20 0 GDADMM C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)[C@H](O)c1cccc(F)c1 ZINC000824640133 607661949 /nfs/dbraw/zinc/66/19/49/607661949.db2.gz AUFZLEKDDXOSGE-VFZGTOFNSA-N -1 1 395.391 1.545 20 0 GDADMM C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)[C@H](O)c1cccc(F)c1 ZINC000824640133 607661951 /nfs/dbraw/zinc/66/19/51/607661951.db2.gz AUFZLEKDDXOSGE-VFZGTOFNSA-N -1 1 395.391 1.545 20 0 GDADMM COc1ccc(C)cc1NC(=O)CNC(=O)CN(C)C1CCN(C(=O)[O-])CC1 ZINC000829321802 603988975 /nfs/dbraw/zinc/98/89/75/603988975.db2.gz KZTJNBQAJDFWOY-UHFFFAOYSA-N -1 1 392.456 1.133 20 0 GDADMM O=C([O-])N1[C@@H]2CC[C@H]1CN(C(=O)CCNC(=O)c1n[nH]c3ccccc31)CC2 ZINC000831659510 604031021 /nfs/dbraw/zinc/03/10/21/604031021.db2.gz ITLSBTOURIUIMK-OLZOCXBDSA-N -1 1 385.424 1.426 20 0 GDADMM CC(C)(C)C(=O)N[C@@H]1CCCN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[O-])C1 ZINC000823748952 604050826 /nfs/dbraw/zinc/05/08/26/604050826.db2.gz JUBFRQUAHSXKDE-SQNIBIBYSA-N -1 1 391.512 1.853 20 0 GDADMM CN(C[C@H]1CCCN1CC(=O)N1CCN(Cc2cccs2)CC1)C(=O)[O-] ZINC000828224074 604095041 /nfs/dbraw/zinc/09/50/41/604095041.db2.gz UULJHSDWCRSJKK-OAHLLOKOSA-N -1 1 380.514 1.467 20 0 GDADMM COc1cccc(CN(C)C(=O)CN2CCC[C@@H]2CN(C)C(=O)[O-])c1OC ZINC000829556655 604097090 /nfs/dbraw/zinc/09/70/90/604097090.db2.gz RVAXMMFDYCVTHK-OAHLLOKOSA-N -1 1 379.457 1.736 20 0 GDADMM CC(C)[C@H](CNC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)[O-])C1)N1CCN(C)CC1 ZINC000824115522 604111341 /nfs/dbraw/zinc/11/13/41/604111341.db2.gz CNSKSSHTZYAMLH-ZACQAIPSSA-N -1 1 383.537 1.336 20 0 GDADMM O=S(=O)(NCCOc1ccc(Cl)cn1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826491548 607672863 /nfs/dbraw/zinc/67/28/63/607672863.db2.gz ORRCZAHPCYNQPO-UHFFFAOYSA-N -1 1 398.807 1.412 20 0 GDADMM O=S(=O)(NCCOc1ccc(Cl)cn1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826491548 607672864 /nfs/dbraw/zinc/67/28/64/607672864.db2.gz ORRCZAHPCYNQPO-UHFFFAOYSA-N -1 1 398.807 1.412 20 0 GDADMM C[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC000824641364 607673324 /nfs/dbraw/zinc/67/33/24/607673324.db2.gz VBTQNWJDDHWHOY-MRVPVSSYSA-N -1 1 387.849 1.529 20 0 GDADMM C[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC000824641364 607673325 /nfs/dbraw/zinc/67/33/25/607673325.db2.gz VBTQNWJDDHWHOY-MRVPVSSYSA-N -1 1 387.849 1.529 20 0 GDADMM Cc1nc(CCNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)sc1C ZINC000826325991 607674084 /nfs/dbraw/zinc/67/40/84/607674084.db2.gz UNYHFJZHECDQSC-UHFFFAOYSA-N -1 1 382.446 1.600 20 0 GDADMM Cc1nc(CCNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)sc1C ZINC000826325991 607674085 /nfs/dbraw/zinc/67/40/85/607674085.db2.gz UNYHFJZHECDQSC-UHFFFAOYSA-N -1 1 382.446 1.600 20 0 GDADMM CN(Cc1cccc(NC(=O)N2CCN(C[C@H]3CCOC3)CC2)c1)C(=O)[O-] ZINC000828375860 604146399 /nfs/dbraw/zinc/14/63/99/604146399.db2.gz VSNAUMSJSZSKFX-MRXNPFEDSA-N -1 1 376.457 1.982 20 0 GDADMM Cc1cccc([C@@H](O)CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826297062 607675508 /nfs/dbraw/zinc/67/55/08/607675508.db2.gz UGBOCGISWXGNHB-ZDUSSCGKSA-N -1 1 377.401 1.326 20 0 GDADMM Cc1cccc([C@@H](O)CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826297062 607675510 /nfs/dbraw/zinc/67/55/10/607675510.db2.gz UGBOCGISWXGNHB-ZDUSSCGKSA-N -1 1 377.401 1.326 20 0 GDADMM O=S(=O)(N[C@H]1CCOC2(CCCC2)C1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826488951 607675705 /nfs/dbraw/zinc/67/57/05/607675705.db2.gz DLBBZVBYIGDCLE-LBPRGKRZSA-N -1 1 381.433 1.776 20 0 GDADMM C[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC000824641365 607676431 /nfs/dbraw/zinc/67/64/31/607676431.db2.gz VBTQNWJDDHWHOY-QMMMGPOBSA-N -1 1 387.849 1.529 20 0 GDADMM C[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC000824641365 607676433 /nfs/dbraw/zinc/67/64/33/607676433.db2.gz VBTQNWJDDHWHOY-QMMMGPOBSA-N -1 1 387.849 1.529 20 0 GDADMM CCOc1cccc(CCNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000825649247 607676675 /nfs/dbraw/zinc/67/66/75/607676675.db2.gz MVCSGFMIYFTWOH-UHFFFAOYSA-N -1 1 391.428 1.926 20 0 GDADMM C[C@@H](CN(C)C(=O)[O-])C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 ZINC000824873826 604199748 /nfs/dbraw/zinc/19/97/48/604199748.db2.gz LTMXOIIIULUVPJ-HNNXBMFYSA-N -1 1 378.473 1.497 20 0 GDADMM C[C@H](NC(=O)[O-])[C@H]1CCCN(CC(=O)NCCOc2ccc3c(c2)OCO3)C1 ZINC000825252281 604211522 /nfs/dbraw/zinc/21/15/22/604211522.db2.gz DHDLEGRJIVFLQO-KBPBESRZSA-N -1 1 393.440 1.278 20 0 GDADMM O=C([O-])N[C@H](CNC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1)c1ccccc1 ZINC000832129380 604225279 /nfs/dbraw/zinc/22/52/79/604225279.db2.gz XEUIHPRTJGEEOE-BRWVUGGUSA-N -1 1 376.457 1.236 20 0 GDADMM CNC(=O)c1cccc(NC(=O)[C@H](C)N2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)c1 ZINC000828566403 604229543 /nfs/dbraw/zinc/22/95/43/604229543.db2.gz IXLWFOSORQEOCT-VNHYZAJKSA-N -1 1 376.457 1.741 20 0 GDADMM CC(C)(C)NC(=O)CN1CCC(CNC(=O)C[C@@H]2CCCN2C(=O)[O-])CC1 ZINC000823773891 604251233 /nfs/dbraw/zinc/25/12/33/604251233.db2.gz WSZXFRGZPNAEFV-HNNXBMFYSA-N -1 1 382.505 1.262 20 0 GDADMM COc1ccc(NC(=O)NC(=O)CN2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)cc1 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O=C([O-])N[C@@H]1CCN(C(=O)NCCCN2CCN(c3ccccc3)CC2)C1 ZINC000740590222 604591400 /nfs/dbraw/zinc/59/14/00/604591400.db2.gz WQTVMTWMLHBQLX-MRXNPFEDSA-N -1 1 375.473 1.250 20 0 GDADMM C[NH+]1CCC2(CCCN2C(=O)c2ccc(-n3[n-]c(CC(=O)[O-])cc3=O)cc2)CC1 ZINC000833698755 604613449 /nfs/dbraw/zinc/61/34/49/604613449.db2.gz VHVBPKPNEYTYEY-UHFFFAOYSA-N -1 1 398.463 1.493 20 0 GDADMM CN(C(=O)CN[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)c1nccs1 ZINC000833685964 604618727 /nfs/dbraw/zinc/61/87/27/604618727.db2.gz NQLYBMYFCRYDPZ-IBGZPJMESA-N -1 1 388.493 1.815 20 0 GDADMM O=C([O-])c1nc(Cl)ccc1S(=O)(=O)Nc1cccc(-n2ccnn2)c1 ZINC000833344723 604636848 /nfs/dbraw/zinc/63/68/48/604636848.db2.gz HGLHYOBZIDXHEH-UHFFFAOYSA-N -1 1 379.785 1.815 20 0 GDADMM C[C@H](Oc1ccc(CN2CCN(c3ccc(C(N)=O)cc3)CC2)cc1)C(=O)[O-] ZINC000833540860 604657622 /nfs/dbraw/zinc/65/76/22/604657622.db2.gz NQLCAZXDOGAQSQ-HNNXBMFYSA-N -1 1 383.448 1.960 20 0 GDADMM C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CN(CCC(=O)[O-])C1CCOCC1)C2=O ZINC000833595673 604691409 /nfs/dbraw/zinc/69/14/09/604691409.db2.gz XCDWIOBERJYIBW-KBPBESRZSA-N -1 1 381.473 1.646 20 0 GDADMM C[NH+](C)CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)cc1 ZINC000833689009 604701797 /nfs/dbraw/zinc/70/17/97/604701797.db2.gz IAVMAGDFPGRMHE-UHFFFAOYSA-N -1 1 392.437 1.471 20 0 GDADMM C[C@@H](Oc1ccc(CN2CCN(c3nccn4cnnc34)[C@@H](C)C2)cc1)C(=O)[O-] ZINC000833539166 604757440 /nfs/dbraw/zinc/75/74/40/604757440.db2.gz GKZZFQBXSCKXPN-LSDHHAIUSA-N -1 1 396.451 1.687 20 0 GDADMM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CN1CCC(Cn2cccn2)CC1 ZINC000833194622 604758797 /nfs/dbraw/zinc/75/87/97/604758797.db2.gz JAJCHMIJVRSYCT-LJQANCHMSA-N -1 1 382.464 1.633 20 0 GDADMM Cc1ccsc1CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2nc(C)ccc21 ZINC000826294745 607715685 /nfs/dbraw/zinc/71/56/85/607715685.db2.gz ARFIPSQFAFTSGL-UHFFFAOYSA-N -1 1 395.448 1.571 20 0 GDADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CCOCCOc1ccccc1 ZINC000826294862 607716448 /nfs/dbraw/zinc/71/64/48/607716448.db2.gz GXYVTNUJTBGFKC-UHFFFAOYSA-N -1 1 392.419 1.981 20 0 GDADMM COc1cccc(OCCn2cc(-c3nn[n-]n3)c(=O)c3nc(C)ccc32)c1 ZINC000826217344 607717503 /nfs/dbraw/zinc/71/75/03/607717503.db2.gz IOWSTJQIOIVQLW-UHFFFAOYSA-N -1 1 378.392 1.973 20 0 GDADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000826294873 607717509 /nfs/dbraw/zinc/71/75/09/607717509.db2.gz HHBTVUHTRBYSQA-OSAQELSMSA-N -1 1 395.467 1.826 20 0 GDADMM CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-])c1ccccc1 ZINC000255971581 604895203 /nfs/dbraw/zinc/89/52/03/604895203.db2.gz FIHNEVSNLZGUQR-GJZGRUSLSA-N -1 1 388.424 1.788 20 0 GDADMM CCOC(=O)N1CCC(NC(=O)CN2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)CC1 ZINC000829857030 604964101 /nfs/dbraw/zinc/96/41/01/604964101.db2.gz DTEXPSGARQCREE-KBMXLJTQSA-N -1 1 381.473 1.441 20 0 GDADMM CC(C)(CNS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-])N1CCCCC1 ZINC000833459867 605016319 /nfs/dbraw/zinc/01/63/19/605016319.db2.gz OSSWJZHGEZTIBG-UHFFFAOYSA-N -1 1 375.878 1.976 20 0 GDADMM C[C@@H](CNS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-])N1CCC[C@@H](C)C1 ZINC000833614430 605018137 /nfs/dbraw/zinc/01/81/37/605018137.db2.gz MGYCRSGMTQFNPY-MNOVXSKESA-N -1 1 375.878 1.832 20 0 GDADMM C[C@H]1CN(S(=O)(=O)c2cc(F)ccc2C(=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000833631553 605029080 /nfs/dbraw/zinc/02/90/80/605029080.db2.gz PUHSNTZBBRLXRB-BBRMVZONSA-N -1 1 399.488 1.170 20 0 GDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCCN(C)c1ccccc1F ZINC000833624061 605045879 /nfs/dbraw/zinc/04/58/79/605045879.db2.gz IVCISZMKODZOBL-HNNXBMFYSA-N -1 1 380.464 1.842 20 0 GDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCCc1nnc2n1CCCCC2 ZINC000833625532 605050458 /nfs/dbraw/zinc/05/04/58/605050458.db2.gz MUATUOWSQHNJCU-OAHLLOKOSA-N -1 1 392.504 1.128 20 0 GDADMM CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000833442746 605073017 /nfs/dbraw/zinc/07/30/17/605073017.db2.gz XICYYHXGYLGEDA-STQMWFEESA-N -1 1 398.485 1.264 20 0 GDADMM CC(C)N1CCO[C@H](CN2CCN(C(=O)C3CCC(C(=O)[O-])CC3)CC2)C1 ZINC000833501499 605086194 /nfs/dbraw/zinc/08/61/94/605086194.db2.gz AJSFAOSXIOCRKE-DAWZGUTISA-N -1 1 381.517 1.131 20 0 GDADMM C[C@H](C(=O)NCC(=O)[O-])N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000833405879 605086775 /nfs/dbraw/zinc/08/67/75/605086775.db2.gz YQRAYNGPQJTBNX-OAHLLOKOSA-N -1 1 379.460 1.963 20 0 GDADMM COc1ccc([C@@H](CNC(=O)N2CC[C@H](NC(=O)[O-])C2)N(C)C)cc1OC ZINC000739895523 605089366 /nfs/dbraw/zinc/08/93/66/605089366.db2.gz VFNWJEFPGGHJDI-UONOGXRCSA-N -1 1 380.445 1.358 20 0 GDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cccc(OC[C@H]2CCCO2)c1 ZINC000833622322 605099153 /nfs/dbraw/zinc/09/91/53/605099153.db2.gz AVUBKEVJFQMGAP-MAUKXSAKSA-N -1 1 376.453 1.865 20 0 GDADMM CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833393569 605103942 /nfs/dbraw/zinc/10/39/42/605103942.db2.gz QZYXDYGCCHOWIS-KXBFYZLASA-N -1 1 385.464 1.958 20 0 GDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000833627614 605159615 /nfs/dbraw/zinc/15/96/15/605159615.db2.gz ZRFMCIXXRSSWML-AWEZNQCLSA-N -1 1 379.432 1.283 20 0 GDADMM CC(=O)N[C@H](CC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)c1ccc(Cl)cc1 ZINC000833394996 605163068 /nfs/dbraw/zinc/16/30/68/605163068.db2.gz IRNLNOSDTCTTQI-SUMWQHHRSA-N -1 1 395.887 1.915 20 0 GDADMM COC(=O)C1(c2ccc(S(=O)(=O)Nc3ccc(C(=O)[O-])nc3)cc2)CC1 ZINC000833702278 605167639 /nfs/dbraw/zinc/16/76/39/605167639.db2.gz RMVKSTNGWOGYPK-UHFFFAOYSA-N -1 1 376.390 1.785 20 0 GDADMM CC(C)(C)OC(=O)N1CCC(N(CN2C[C@@H](C(=O)[O-])CC2=O)C2CC2)CC1 ZINC000833438235 605170454 /nfs/dbraw/zinc/17/04/54/605170454.db2.gz ZUKYWMNGDDSKMV-ZDUSSCGKSA-N -1 1 381.473 1.741 20 0 GDADMM CC(C)NC(=O)Nc1cccc(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)c1 ZINC000833502560 605203516 /nfs/dbraw/zinc/20/35/16/605203516.db2.gz DMDOQQJDINBCEA-AWEZNQCLSA-N -1 1 376.457 1.838 20 0 GDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000833619481 605207401 /nfs/dbraw/zinc/20/74/01/605207401.db2.gz HYWYHAHHLOCEST-CZUORRHYSA-N -1 1 393.871 1.700 20 0 GDADMM C[C@H](Oc1ccc(CNC[C@@](O)(c2nccn2C)C(F)(F)F)cc1)C(=O)[O-] ZINC000833542249 605236531 /nfs/dbraw/zinc/23/65/31/605236531.db2.gz UCQNEMCSDASTPL-MEDUHNTESA-N -1 1 387.358 1.812 20 0 GDADMM C[C@H]1CN(C(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CCN1CCC(=O)[O-] ZINC000833618625 605255927 /nfs/dbraw/zinc/25/59/27/605255927.db2.gz POHOEVMSINYJEB-LSDHHAIUSA-N -1 1 383.489 1.641 20 0 GDADMM CC(C)CNC(=O)N1CCC[C@H](CC(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)C1 ZINC000833488476 605277600 /nfs/dbraw/zinc/27/76/00/605277600.db2.gz HVLIEQWLXPDKFD-IAGOWNOFSA-N -1 1 396.532 1.462 20 0 GDADMM CC(C)COC(=O)N1CCC(C(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)CC1 ZINC000833488568 605277712 /nfs/dbraw/zinc/27/77/12/605277712.db2.gz AVKKWHVQGNUBDD-HNNXBMFYSA-N -1 1 383.489 1.498 20 0 GDADMM O=S(=O)(NC[C@]1(O)CCc2ccccc21)c1cccc(F)c1-c1nnn[n-]1 ZINC000826490521 607748078 /nfs/dbraw/zinc/74/80/78/607748078.db2.gz YAMJVBRLDBMMGT-QGZVFWFLSA-N -1 1 389.412 1.118 20 0 GDADMM O=S(=O)(NC[C@]1(O)CCc2ccccc21)c1cccc(F)c1-c1nn[n-]n1 ZINC000826490521 607748079 /nfs/dbraw/zinc/74/80/79/607748079.db2.gz YAMJVBRLDBMMGT-QGZVFWFLSA-N -1 1 389.412 1.118 20 0 GDADMM O=C(CCOC1CN(C(=O)[O-])C1)Nc1ccc2nc(N3CCOCC3)[nH]c2c1 ZINC000833993046 605333998 /nfs/dbraw/zinc/33/39/98/605333998.db2.gz KZSHUIVYGJHCLO-UHFFFAOYSA-N -1 1 389.412 1.107 20 0 GDADMM O=C([O-])NCCOCC(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000834242254 605376759 /nfs/dbraw/zinc/37/67/59/605376759.db2.gz DUAOKXTUVIOZOA-AWEZNQCLSA-N -1 1 379.461 1.843 20 0 GDADMM C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)CCN1CCN(c2ccccn2)CC1 ZINC000825809602 605457060 /nfs/dbraw/zinc/45/70/60/605457060.db2.gz OUJHTMFJAYVUSV-HOTGVXAUSA-N -1 1 375.473 1.241 20 0 GDADMM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000825816331 605506435 /nfs/dbraw/zinc/50/64/35/605506435.db2.gz IQARBKQZCLNRRE-ZBFHGGJFSA-N -1 1 375.473 1.876 20 0 GDADMM CC(C)(C)Oc1cccc(CN2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)n1 ZINC000833790066 605516125 /nfs/dbraw/zinc/51/61/25/605516125.db2.gz HYJSMGBOPWOHSP-AWEZNQCLSA-N -1 1 378.473 1.855 20 0 GDADMM O=C([O-])N1CCC(C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000831610156 605522876 /nfs/dbraw/zinc/52/28/76/605522876.db2.gz IZLFZISJMXLFGQ-MSOLQXFVSA-N -1 1 375.469 1.376 20 0 GDADMM O=C(NC[C@H](O)[C@H]1CCCO1)c1ccc(I)c([O-])c1 ZINC000529769235 649958862 /nfs/dbraw/zinc/95/88/62/649958862.db2.gz NQLWXQRAGPBDEN-NWDGAFQWSA-N -1 1 377.178 1.267 20 0 GDADMM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)Nc1cc(Cl)cc(Br)c1O ZINC000834051263 605540118 /nfs/dbraw/zinc/54/01/18/605540118.db2.gz FSHMHZIWNTXUFD-RCOVLWMOSA-N -1 1 379.594 1.860 20 0 GDADMM CC(C)C[C@H](C)NC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000824228770 607761675 /nfs/dbraw/zinc/76/16/75/607761675.db2.gz KMWDVJJFCTWUBG-LBPRGKRZSA-N -1 1 388.476 1.998 20 0 GDADMM C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C[NH+]1CCC(NC(=O)[O-])CC1 ZINC000826067293 605736443 /nfs/dbraw/zinc/73/64/43/605736443.db2.gz JPPDHHHELJLDSY-QGZVFWFLSA-N -1 1 388.512 1.841 20 0 GDADMM CC(C)CN1CCO[C@@H](CNC(=O)N2CCC3(C2)CCN(C(=O)[O-])CC3)C1 ZINC000833797593 605928295 /nfs/dbraw/zinc/92/82/95/605928295.db2.gz ZPGFLISWULQXLX-INIZCTEOSA-N -1 1 382.505 1.519 20 0 GDADMM O=C([O-])NC[C@H]1CCCCN1C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000834213157 605966565 /nfs/dbraw/zinc/96/65/65/605966565.db2.gz AUELPNSDPHUOFV-QGZVFWFLSA-N -1 1 375.473 1.878 20 0 GDADMM Nc1nc(COC(=O)c2ccc(-c3nnn[n-]3)s2)nc(Nc2ccccc2)n1 ZINC000822907204 606136759 /nfs/dbraw/zinc/13/67/59/606136759.db2.gz AWWFDMYNWMWXDJ-UHFFFAOYSA-N -1 1 395.408 1.796 20 0 GDADMM Nc1nc(COC(=O)c2ccc(-c3nn[n-]n3)s2)nc(Nc2ccccc2)n1 ZINC000822907204 606136760 /nfs/dbraw/zinc/13/67/60/606136760.db2.gz AWWFDMYNWMWXDJ-UHFFFAOYSA-N -1 1 395.408 1.796 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)NCc1ccc(F)cc1 ZINC000820512922 606137144 /nfs/dbraw/zinc/13/71/44/606137144.db2.gz PMYRIVWFWCCAAW-SECBINFHSA-N -1 1 375.385 1.929 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)NCc1ccc(F)cc1 ZINC000820512922 606137146 /nfs/dbraw/zinc/13/71/46/606137146.db2.gz PMYRIVWFWCCAAW-SECBINFHSA-N -1 1 375.385 1.929 20 0 GDADMM CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000819789811 606153747 /nfs/dbraw/zinc/15/37/47/606153747.db2.gz YVLXWWUGRCPYGG-HNNXBMFYSA-N -1 1 378.396 1.503 20 0 GDADMM CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000819789811 606153748 /nfs/dbraw/zinc/15/37/48/606153748.db2.gz YVLXWWUGRCPYGG-HNNXBMFYSA-N -1 1 378.396 1.503 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCc2ccc(Br)cc2)n1 ZINC000822619903 606156244 /nfs/dbraw/zinc/15/62/44/606156244.db2.gz KCFXGPDNBWILQI-UHFFFAOYSA-N -1 1 391.233 1.727 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCc2ccc(Br)cc2)n1 ZINC000822619903 606156246 /nfs/dbraw/zinc/15/62/46/606156246.db2.gz KCFXGPDNBWILQI-UHFFFAOYSA-N -1 1 391.233 1.727 20 0 GDADMM CCCCCNC(=O)C1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC1 ZINC000821055551 606157028 /nfs/dbraw/zinc/15/70/28/606157028.db2.gz CJLAQMFVDQFZDV-UHFFFAOYSA-N -1 1 389.464 1.151 20 0 GDADMM CCCCCNC(=O)C1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC1 ZINC000821055551 606157030 /nfs/dbraw/zinc/15/70/30/606157030.db2.gz CJLAQMFVDQFZDV-UHFFFAOYSA-N -1 1 389.464 1.151 20 0 GDADMM CC(C)OC(=O)NCc1ccc(NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000820141956 606158392 /nfs/dbraw/zinc/15/83/92/606158392.db2.gz CWPOSNNEZFFGPL-UHFFFAOYSA-N -1 1 399.415 1.879 20 0 GDADMM CC(C)OC(=O)NCc1ccc(NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000820141956 606158394 /nfs/dbraw/zinc/15/83/94/606158394.db2.gz CWPOSNNEZFFGPL-UHFFFAOYSA-N -1 1 399.415 1.879 20 0 GDADMM COc1cc(F)c([C@@H](C)NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1OC ZINC000821720727 606158982 /nfs/dbraw/zinc/15/89/82/606158982.db2.gz WQBGOKCGJLJDFF-MRVPVSSYSA-N -1 1 390.379 1.639 20 0 GDADMM COc1cc(F)c([C@@H](C)NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1OC ZINC000821720727 606158984 /nfs/dbraw/zinc/15/89/84/606158984.db2.gz WQBGOKCGJLJDFF-MRVPVSSYSA-N -1 1 390.379 1.639 20 0 GDADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(NC(=O)C2CC2)cc1 ZINC000820380123 606159446 /nfs/dbraw/zinc/15/94/46/606159446.db2.gz LPWXDVVLZIGPMV-SNVBAGLBSA-N -1 1 395.427 1.831 20 0 GDADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(NC(=O)C2CC2)cc1 ZINC000820380123 606159448 /nfs/dbraw/zinc/15/94/48/606159448.db2.gz LPWXDVVLZIGPMV-SNVBAGLBSA-N -1 1 395.427 1.831 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccc(Br)cc2F)n1 ZINC000822620508 606159769 /nfs/dbraw/zinc/15/97/69/606159769.db2.gz UKTUUIKPZNDMNW-UHFFFAOYSA-N -1 1 395.196 1.824 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccc(Br)cc2F)n1 ZINC000822620508 606159770 /nfs/dbraw/zinc/15/97/70/606159770.db2.gz UKTUUIKPZNDMNW-UHFFFAOYSA-N -1 1 395.196 1.824 20 0 GDADMM C[C@@H]1CN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C[C@@H](c2ccc(F)cc2)O1 ZINC000820744525 606160916 /nfs/dbraw/zinc/16/09/16/606160916.db2.gz YIYSMPAIIYDTAO-YGRLFVJLSA-N -1 1 386.391 1.733 20 0 GDADMM C[C@@H]1CN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C[C@@H](c2ccc(F)cc2)O1 ZINC000820744525 606160918 /nfs/dbraw/zinc/16/09/18/606160918.db2.gz YIYSMPAIIYDTAO-YGRLFVJLSA-N -1 1 386.391 1.733 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2sccc2Br)n1 ZINC000822619637 606164177 /nfs/dbraw/zinc/16/41/77/606164177.db2.gz BXUDHLIXPVMMAL-UHFFFAOYSA-N -1 1 383.235 1.746 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2sccc2Br)n1 ZINC000822619637 606164179 /nfs/dbraw/zinc/16/41/79/606164179.db2.gz BXUDHLIXPVMMAL-UHFFFAOYSA-N -1 1 383.235 1.746 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccc(Br)c(F)c2)n1 ZINC000822620485 606167544 /nfs/dbraw/zinc/16/75/44/606167544.db2.gz SSLGHIRRDKHYMO-UHFFFAOYSA-N -1 1 395.196 1.824 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccc(Br)c(F)c2)n1 ZINC000822620485 606167546 /nfs/dbraw/zinc/16/75/46/606167546.db2.gz SSLGHIRRDKHYMO-UHFFFAOYSA-N -1 1 395.196 1.824 20 0 GDADMM CN(C)[C@@H](CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1c(F)cccc1F ZINC000821579910 606170013 /nfs/dbraw/zinc/17/00/13/606170013.db2.gz RTCOVNAHLXSXNZ-LBPRGKRZSA-N -1 1 391.386 1.303 20 0 GDADMM CN(C)[C@@H](CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1c(F)cccc1F ZINC000821579910 606170014 /nfs/dbraw/zinc/17/00/14/606170014.db2.gz RTCOVNAHLXSXNZ-LBPRGKRZSA-N -1 1 391.386 1.303 20 0 GDADMM CC(C)(C)OC(=O)N1CC(OCC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])C1 ZINC000819933670 606196037 /nfs/dbraw/zinc/19/60/37/606196037.db2.gz ZGYZAXDTGYXTIQ-UHFFFAOYSA-N -1 1 390.400 1.147 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1nc(N2CCCC2)ncc1Cl ZINC000823294824 606196104 /nfs/dbraw/zinc/19/61/04/606196104.db2.gz SNFDYZQZUQJPNW-UHFFFAOYSA-N -1 1 386.803 1.868 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N(Cc1ccccc1)CC(F)F ZINC000823601140 606203021 /nfs/dbraw/zinc/20/30/21/606203021.db2.gz UAPWPEALINLWHA-UHFFFAOYSA-N -1 1 380.380 1.718 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N(Cc1ccccc1)CC(F)F ZINC000823601140 606203023 /nfs/dbraw/zinc/20/30/23/606203023.db2.gz UAPWPEALINLWHA-UHFFFAOYSA-N -1 1 380.380 1.718 20 0 GDADMM CN(C[C@@H](O)COCc1ccccc1)c1snc(Cl)c1-c1nnn[n-]1 ZINC000821595116 606239454 /nfs/dbraw/zinc/23/94/54/606239454.db2.gz NDCKLNUDWXPEFK-LLVKDONJSA-N -1 1 380.861 1.991 20 0 GDADMM CN(C[C@@H](O)COCc1ccccc1)c1snc(Cl)c1-c1nn[n-]n1 ZINC000821595116 606239455 /nfs/dbraw/zinc/23/94/55/606239455.db2.gz NDCKLNUDWXPEFK-LLVKDONJSA-N -1 1 380.861 1.991 20 0 GDADMM Cc1cc(CCC(=O)n2ncc(-c3nn[n-]n3)c2N)ccc1Br ZINC000822200082 606288702 /nfs/dbraw/zinc/28/87/02/606288702.db2.gz TVLJTVDIXGJKMH-UHFFFAOYSA-N -1 1 376.218 1.989 20 0 GDADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)[C@@H](O)c1c(F)cccc1Cl ZINC000820391382 606289891 /nfs/dbraw/zinc/28/98/91/606289891.db2.gz OMPUZZQIIQQLIL-XLKFXECMSA-N -1 1 376.779 1.906 20 0 GDADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)[C@@H](O)c1c(F)cccc1Cl ZINC000820391382 606289889 /nfs/dbraw/zinc/28/98/89/606289889.db2.gz OMPUZZQIIQQLIL-XLKFXECMSA-N -1 1 376.779 1.906 20 0 GDADMM Cn1ccnc1[C@](O)(CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])C(F)(F)F ZINC000822694254 606295622 /nfs/dbraw/zinc/29/56/22/606295622.db2.gz ZVMQDTBALISYPJ-CQSZACIVSA-N -1 1 397.317 1.085 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2nccn2CCc2ccccc2)n1 ZINC000822620537 606346524 /nfs/dbraw/zinc/34/65/24/606346524.db2.gz VRESZPPMLOPHKO-UHFFFAOYSA-N -1 1 392.427 1.361 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2nccn2CCc2ccccc2)n1 ZINC000822620537 606346525 /nfs/dbraw/zinc/34/65/25/606346525.db2.gz VRESZPPMLOPHKO-UHFFFAOYSA-N -1 1 392.427 1.361 20 0 GDADMM CCN1C(=O)N[C@H](c2ccc(-c3nn[n-]n3)s2)C(C(=O)OCCOC)=C1C ZINC000821242495 606393459 /nfs/dbraw/zinc/39/34/59/606393459.db2.gz UEDVOYDUDRZESL-CYBMUJFWSA-N -1 1 392.441 1.478 20 0 GDADMM COCCOC(=O)C1=C(C)N(C)C(=O)N(C)[C@H]1c1ccc(-c2nn[n-]n2)s1 ZINC000821691013 606394082 /nfs/dbraw/zinc/39/40/82/606394082.db2.gz FFBIILQYGYWXFL-ZDUSSCGKSA-N -1 1 392.441 1.430 20 0 GDADMM CC1=C(C(=O)N(C)C)[C@H](c2ccc(-c3nn[n-]n3)s2)NC(=O)N1CC1CC1 ZINC000820637777 606395274 /nfs/dbraw/zinc/39/52/74/606395274.db2.gz ZUKFOYIBVCRSOS-AWEZNQCLSA-N -1 1 387.469 1.767 20 0 GDADMM CCC[C@H]1C[C@H]1NC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000821034624 606441968 /nfs/dbraw/zinc/44/19/68/606441968.db2.gz PXCFHUKVDUPUIV-QWHCGFSZSA-N -1 1 386.460 1.752 20 0 GDADMM Cc1cnc(N2CCN(c3c4ccccc4nnc3-c3nnn[n-]3)CC2)s1 ZINC000822394500 606481313 /nfs/dbraw/zinc/48/13/13/606481313.db2.gz BJPULEFCZNZRAQ-UHFFFAOYSA-N -1 1 379.453 1.901 20 0 GDADMM Cc1cnc(N2CCN(c3c4ccccc4nnc3-c3nn[n-]n3)CC2)s1 ZINC000822394500 606481315 /nfs/dbraw/zinc/48/13/15/606481315.db2.gz BJPULEFCZNZRAQ-UHFFFAOYSA-N -1 1 379.453 1.901 20 0 GDADMM CCO[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C12CCCCC2 ZINC000821360322 606484353 /nfs/dbraw/zinc/48/43/53/606484353.db2.gz QRAICRCMHAUBKD-HUUCEWRRSA-N -1 1 392.485 1.668 20 0 GDADMM CCO[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C12CCCCC2 ZINC000821360322 606484355 /nfs/dbraw/zinc/48/43/55/606484355.db2.gz QRAICRCMHAUBKD-HUUCEWRRSA-N -1 1 392.485 1.668 20 0 GDADMM CNS(=O)(=O)c1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1C ZINC000821637695 606495261 /nfs/dbraw/zinc/49/52/61/606495261.db2.gz PSNRJFSXAICDRU-UHFFFAOYSA-N -1 1 378.439 1.397 20 0 GDADMM CNS(=O)(=O)c1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1C ZINC000821637695 606495263 /nfs/dbraw/zinc/49/52/63/606495263.db2.gz PSNRJFSXAICDRU-UHFFFAOYSA-N -1 1 378.439 1.397 20 0 GDADMM CON(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821696879 606496944 /nfs/dbraw/zinc/49/69/44/606496944.db2.gz STKVOLTVWILSJB-UHFFFAOYSA-N -1 1 394.438 1.362 20 0 GDADMM CON(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821696879 606496945 /nfs/dbraw/zinc/49/69/45/606496945.db2.gz STKVOLTVWILSJB-UHFFFAOYSA-N -1 1 394.438 1.362 20 0 GDADMM C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(-c4nn[n-]n4)s3)cn2)C[C@@H](C)O1 ZINC000820768855 606511331 /nfs/dbraw/zinc/51/13/31/606511331.db2.gz QIIAFNHQTNXQQT-VXGBXAGGSA-N -1 1 399.480 1.867 20 0 GDADMM O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823363961 606514435 /nfs/dbraw/zinc/51/44/35/606514435.db2.gz SXVZUSWMDQRBPL-UHFFFAOYSA-N -1 1 384.421 1.653 20 0 GDADMM O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823363961 606514437 /nfs/dbraw/zinc/51/44/37/606514437.db2.gz SXVZUSWMDQRBPL-UHFFFAOYSA-N -1 1 384.421 1.653 20 0 GDADMM Cc1nc(CN2CCN(C(=O)c3ccc(-c4nnn[n-]4)s3)CC2)cs1 ZINC000822440751 606523474 /nfs/dbraw/zinc/52/34/74/606523474.db2.gz PWVBNQKWMKDJLD-UHFFFAOYSA-N -1 1 375.483 1.651 20 0 GDADMM Cc1nc(CN2CCN(C(=O)c3ccc(-c4nn[n-]n4)s3)CC2)cs1 ZINC000822440751 606523476 /nfs/dbraw/zinc/52/34/76/606523476.db2.gz PWVBNQKWMKDJLD-UHFFFAOYSA-N -1 1 375.483 1.651 20 0 GDADMM C[C@@H]1CN(C[C@@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)s2)C[C@H](C)O1 ZINC000820750681 606534245 /nfs/dbraw/zinc/53/42/45/606534245.db2.gz CJIMVJNFLGJVBF-XQQFMLRXSA-N -1 1 376.486 1.642 20 0 GDADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1nc(Cc2ccccc2)no1 ZINC000820391460 606544285 /nfs/dbraw/zinc/54/42/85/606544285.db2.gz QFUSLLAUTQHYCR-LLVKDONJSA-N -1 1 376.380 1.727 20 0 GDADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1nc(Cc2ccccc2)no1 ZINC000820391460 606544286 /nfs/dbraw/zinc/54/42/86/606544286.db2.gz QFUSLLAUTQHYCR-LLVKDONJSA-N -1 1 376.380 1.727 20 0 GDADMM COc1cccc(N2C[C@H](NC(=O)c3ccc(-c4nnn[n-]4)s3)CC2=O)c1 ZINC000821873769 606544483 /nfs/dbraw/zinc/54/44/83/606544483.db2.gz XZGONOXZKJTSLA-SNVBAGLBSA-N -1 1 384.421 1.472 20 0 GDADMM COc1cccc(N2C[C@H](NC(=O)c3ccc(-c4nn[n-]n4)s3)CC2=O)c1 ZINC000821873769 606544486 /nfs/dbraw/zinc/54/44/86/606544486.db2.gz XZGONOXZKJTSLA-SNVBAGLBSA-N -1 1 384.421 1.472 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000822535427 606546791 /nfs/dbraw/zinc/54/67/91/606546791.db2.gz QZSCIEZWKHWAGD-GFCCVEGCSA-N -1 1 397.439 1.688 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000822535427 606546793 /nfs/dbraw/zinc/54/67/93/606546793.db2.gz QZSCIEZWKHWAGD-GFCCVEGCSA-N -1 1 397.439 1.688 20 0 GDADMM CCN1CCN(C2CCN(C(=O)c3ccc(-c4nnn[n-]4)s3)CC2)C1=O ZINC000821266819 606559946 /nfs/dbraw/zinc/55/99/46/606559946.db2.gz IAHJXCZDWDXASH-UHFFFAOYSA-N -1 1 375.458 1.290 20 0 GDADMM CCN1CCN(C2CCN(C(=O)c3ccc(-c4nn[n-]n4)s3)CC2)C1=O ZINC000821266819 606559948 /nfs/dbraw/zinc/55/99/48/606559948.db2.gz IAHJXCZDWDXASH-UHFFFAOYSA-N -1 1 375.458 1.290 20 0 GDADMM C[C@](NC(=O)c1ccc(-c2nnn[n-]2)s1)(C(N)=O)c1cccc(Cl)c1 ZINC000820390549 606589662 /nfs/dbraw/zinc/58/96/62/606589662.db2.gz IHWJEMWTLBZTHO-OAHLLOKOSA-N -1 1 376.829 1.712 20 0 GDADMM C[C@](NC(=O)c1ccc(-c2nn[n-]n2)s1)(C(N)=O)c1cccc(Cl)c1 ZINC000820390549 606589664 /nfs/dbraw/zinc/58/96/64/606589664.db2.gz IHWJEMWTLBZTHO-OAHLLOKOSA-N -1 1 376.829 1.712 20 0 GDADMM CC(=O)N1CCc2ccccc2[C@H]1CC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000819802601 606646729 /nfs/dbraw/zinc/64/67/29/606646729.db2.gz GEFJLDJXKAUVIC-GOSISDBHSA-N -1 1 392.419 1.841 20 0 GDADMM CC(=O)N1CCc2ccccc2[C@H]1CC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000819802601 606646730 /nfs/dbraw/zinc/64/67/30/606646730.db2.gz GEFJLDJXKAUVIC-GOSISDBHSA-N -1 1 392.419 1.841 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cc(N2CCOC2=O)ccc1F ZINC000823435840 606647660 /nfs/dbraw/zinc/64/76/60/606647660.db2.gz BHZMOCMVSYIHPB-UHFFFAOYSA-N -1 1 384.327 1.714 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cc(N2CCOC2=O)ccc1F ZINC000823435840 606647661 /nfs/dbraw/zinc/64/76/61/606647661.db2.gz BHZMOCMVSYIHPB-UHFFFAOYSA-N -1 1 384.327 1.714 20 0 GDADMM CC(C)[C@H](NC(=O)c1ccccn1)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820026084 606651747 /nfs/dbraw/zinc/65/17/47/606651747.db2.gz HJRNRNQGAOWIHU-HNNXBMFYSA-N -1 1 381.396 1.155 20 0 GDADMM CC(C)[C@H](NC(=O)c1ccccn1)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820026084 606651748 /nfs/dbraw/zinc/65/17/48/606651748.db2.gz HJRNRNQGAOWIHU-HNNXBMFYSA-N -1 1 381.396 1.155 20 0 GDADMM Cc1nc(-c2cnn(C)c2)sc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822423717 606652046 /nfs/dbraw/zinc/65/20/46/606652046.db2.gz NMDOEJYHVXRNGL-UHFFFAOYSA-N -1 1 382.409 1.784 20 0 GDADMM Cc1nc(-c2cnn(C)c2)sc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822423717 606652047 /nfs/dbraw/zinc/65/20/47/606652047.db2.gz NMDOEJYHVXRNGL-UHFFFAOYSA-N -1 1 382.409 1.784 20 0 GDADMM COc1ccc(C(=O)NCCCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000821773091 606652760 /nfs/dbraw/zinc/65/27/60/606652760.db2.gz ZXISFQJIZVAAOK-UHFFFAOYSA-N -1 1 396.407 1.524 20 0 GDADMM COc1ccc(C(=O)NCCCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000821773091 606652761 /nfs/dbraw/zinc/65/27/61/606652761.db2.gz ZXISFQJIZVAAOK-UHFFFAOYSA-N -1 1 396.407 1.524 20 0 GDADMM CC(C)C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)OC(C)(C)C ZINC000820057333 606737350 /nfs/dbraw/zinc/73/73/50/606737350.db2.gz YLYYXBUHHWTSGB-ZDUSSCGKSA-N -1 1 396.473 1.296 20 0 GDADMM CC(C)C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)OC(C)(C)C ZINC000820057333 606737352 /nfs/dbraw/zinc/73/73/52/606737352.db2.gz YLYYXBUHHWTSGB-ZDUSSCGKSA-N -1 1 396.473 1.296 20 0 GDADMM O=C(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)[C@@H]1CCNC(=O)C1 ZINC000823521192 606738275 /nfs/dbraw/zinc/73/82/75/606738275.db2.gz RZLXGTCKRWJOJX-CYBMUJFWSA-N -1 1 382.449 1.738 20 0 GDADMM CC[C@@H]1CN(C)c2ccccc2CN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820995776 606744491 /nfs/dbraw/zinc/74/44/91/606744491.db2.gz XORCNQXGWHPROF-CQSZACIVSA-N -1 1 399.480 1.681 20 0 GDADMM CC[C@@H]1CN(C)c2ccccc2CN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820995776 606744493 /nfs/dbraw/zinc/74/44/93/606744493.db2.gz XORCNQXGWHPROF-CQSZACIVSA-N -1 1 399.480 1.681 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCc1cccs1 ZINC000820788390 606762952 /nfs/dbraw/zinc/76/29/52/606762952.db2.gz GCTUHQFCJVVHEO-NSHDSACASA-N -1 1 385.457 1.139 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCc1cccs1 ZINC000820788390 606762954 /nfs/dbraw/zinc/76/29/54/606762954.db2.gz GCTUHQFCJVVHEO-NSHDSACASA-N -1 1 385.457 1.139 20 0 GDADMM Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1 ZINC000822283859 606763823 /nfs/dbraw/zinc/76/38/23/606763823.db2.gz FONBRDWJPJDHEF-UHFFFAOYSA-N -1 1 377.357 1.813 20 0 GDADMM O=C([O-])c1cc(F)c(F)cc1NS(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1 ZINC000823387163 606764063 /nfs/dbraw/zinc/76/40/63/606764063.db2.gz FDROVHDELFVOLY-UHFFFAOYSA-N -1 1 399.310 1.783 20 0 GDADMM Cc1cccc(NS(=O)(=O)c2ccc(F)cc2-c2nn[nH]n2)c1C(=O)[O-] ZINC000822326893 606765145 /nfs/dbraw/zinc/76/51/45/606765145.db2.gz CTNGXXMQQDSIBW-UHFFFAOYSA-N -1 1 377.357 1.813 20 0 GDADMM COc1ccc(CCNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c(Cl)c1 ZINC000821790295 606771931 /nfs/dbraw/zinc/77/19/31/606771931.db2.gz MQYPGIBFZKUMFR-UHFFFAOYSA-N -1 1 376.808 1.626 20 0 GDADMM COc1ccc(CCNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c(Cl)c1 ZINC000821790295 606771934 /nfs/dbraw/zinc/77/19/34/606771934.db2.gz MQYPGIBFZKUMFR-UHFFFAOYSA-N -1 1 376.808 1.626 20 0 GDADMM Cc1cc(C(=O)Cn2cccc(-c3nn[n-]n3)c2=O)c(C)n1Cc1ccco1 ZINC000822169039 606779163 /nfs/dbraw/zinc/77/91/63/606779163.db2.gz WXYJHNDBNGAMBZ-UHFFFAOYSA-N -1 1 378.392 1.971 20 0 GDADMM C[C@H]1C[C@H](NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)C[C@@H](C)C1 ZINC000820649377 606792124 /nfs/dbraw/zinc/79/21/24/606792124.db2.gz LHEKHFISUUKWFX-LJISPDSOSA-N -1 1 399.503 1.702 20 0 GDADMM C[C@H]1C[C@H](NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)C[C@@H](C)C1 ZINC000820649377 606792126 /nfs/dbraw/zinc/79/21/26/606792126.db2.gz LHEKHFISUUKWFX-LJISPDSOSA-N -1 1 399.503 1.702 20 0 GDADMM CCC1(CNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)CCC1 ZINC000820961768 606794093 /nfs/dbraw/zinc/79/40/93/606794093.db2.gz ARMLMNUNAUSXLA-CYBMUJFWSA-N -1 1 385.476 1.457 20 0 GDADMM CCC1(CNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)CCC1 ZINC000820961768 606794094 /nfs/dbraw/zinc/79/40/94/606794094.db2.gz ARMLMNUNAUSXLA-CYBMUJFWSA-N -1 1 385.476 1.457 20 0 GDADMM CC[C@H](C)CSCC(=O)N1CCN(c2oc(C)nc2-c2nn[n-]n2)CC1 ZINC000820870255 606795811 /nfs/dbraw/zinc/79/58/11/606795811.db2.gz PUDAWVAZYDOPFT-NSHDSACASA-N -1 1 379.490 1.591 20 0 GDADMM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNc1snc(Cl)c1-c1nnn[n-]1 ZINC000821932417 606807889 /nfs/dbraw/zinc/80/78/89/606807889.db2.gz LYPXKHVZRDOETM-NKWVEPMBSA-N -1 1 377.883 1.106 20 0 GDADMM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNc1snc(Cl)c1-c1nn[n-]n1 ZINC000821932417 606807890 /nfs/dbraw/zinc/80/78/90/606807890.db2.gz LYPXKHVZRDOETM-NKWVEPMBSA-N -1 1 377.883 1.106 20 0 GDADMM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNc1snc(Cl)c1-c1nnn[n-]1 ZINC000821932419 606807957 /nfs/dbraw/zinc/80/79/57/606807957.db2.gz LYPXKHVZRDOETM-RQJHMYQMSA-N -1 1 377.883 1.106 20 0 GDADMM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNc1snc(Cl)c1-c1nn[n-]n1 ZINC000821932419 606807958 /nfs/dbraw/zinc/80/79/58/606807958.db2.gz LYPXKHVZRDOETM-RQJHMYQMSA-N -1 1 377.883 1.106 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000822535304 606812813 /nfs/dbraw/zinc/81/28/13/606812813.db2.gz MVLAXJCUWDQGCO-ZIAGYGMSSA-N -1 1 398.423 1.579 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000822535304 606812815 /nfs/dbraw/zinc/81/28/15/606812815.db2.gz MVLAXJCUWDQGCO-ZIAGYGMSSA-N -1 1 398.423 1.579 20 0 GDADMM C[C@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)c1ccsc1 ZINC000819854261 606822404 /nfs/dbraw/zinc/82/24/04/606822404.db2.gz BMPZNCXEXANNPD-RYUDHWBXSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)c1ccsc1 ZINC000819854261 606822405 /nfs/dbraw/zinc/82/24/05/606822405.db2.gz BMPZNCXEXANNPD-RYUDHWBXSA-N -1 1 384.469 1.559 20 0 GDADMM CC(C)CCSCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820081687 606824436 /nfs/dbraw/zinc/82/44/36/606824436.db2.gz RCWIBPPRQZYDPB-ZDUSSCGKSA-N -1 1 390.517 1.473 20 0 GDADMM CC(C)CCSCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820081687 606824438 /nfs/dbraw/zinc/82/44/38/606824438.db2.gz RCWIBPPRQZYDPB-ZDUSSCGKSA-N -1 1 390.517 1.473 20 0 GDADMM CCOc1ccc([C@H](C)NC(=O)Cn2cccc(-c3nn[n-]n3)c2=O)cc1OC ZINC000821417397 606825047 /nfs/dbraw/zinc/82/50/47/606825047.db2.gz MWMNVDKFHWSIKK-LBPRGKRZSA-N -1 1 398.423 1.313 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCCc1cccs1 ZINC000820778875 606825078 /nfs/dbraw/zinc/82/50/78/606825078.db2.gz YEFDLWKPEVWLQK-ZDUSSCGKSA-N -1 1 398.496 1.778 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCCc1cccs1 ZINC000820778875 606825080 /nfs/dbraw/zinc/82/50/80/606825080.db2.gz YEFDLWKPEVWLQK-ZDUSSCGKSA-N -1 1 398.496 1.778 20 0 GDADMM C[C@H]1CC[C@H](NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)CC1 ZINC000820788503 606832857 /nfs/dbraw/zinc/83/28/57/606832857.db2.gz IPMQXTWWRKCSIZ-IHRRRGAJSA-N -1 1 385.476 1.456 20 0 GDADMM C[C@H]1CC[C@H](NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)CC1 ZINC000820788503 606832859 /nfs/dbraw/zinc/83/28/59/606832859.db2.gz IPMQXTWWRKCSIZ-IHRRRGAJSA-N -1 1 385.476 1.456 20 0 GDADMM CN(CCOc1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821604889 606841071 /nfs/dbraw/zinc/84/10/71/606841071.db2.gz LXGWDUAXBGIACU-UHFFFAOYSA-N -1 1 395.391 1.844 20 0 GDADMM CCO[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C12CCC2 ZINC000821359676 606874871 /nfs/dbraw/zinc/87/48/71/606874871.db2.gz ORYHGQWVMYBIRN-KGLIPLIRSA-N -1 1 378.458 1.230 20 0 GDADMM CCO[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C12CCC2 ZINC000821359676 606874872 /nfs/dbraw/zinc/87/48/72/606874872.db2.gz ORYHGQWVMYBIRN-KGLIPLIRSA-N -1 1 378.458 1.230 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2CC3(CCC3)Oc3ccccc32)n(C)c1=O ZINC000822599325 606879579 /nfs/dbraw/zinc/87/95/79/606879579.db2.gz DFXOHVOGFQATLQ-GFCCVEGCSA-N -1 1 395.423 1.123 20 0 GDADMM COCc1ccc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)cc1 ZINC000821695423 606886945 /nfs/dbraw/zinc/88/69/45/606886945.db2.gz YQLQOIUJACWPEA-UHFFFAOYSA-N -1 1 395.391 1.770 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N[C@@H]1CCC(F)(F)C1 ZINC000820788704 606934363 /nfs/dbraw/zinc/93/43/63/606934363.db2.gz MPBLECLTTXNEMX-WDEREUQCSA-N -1 1 393.402 1.065 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N[C@@H]1CCC(F)(F)C1 ZINC000820788704 606934364 /nfs/dbraw/zinc/93/43/64/606934364.db2.gz MPBLECLTTXNEMX-WDEREUQCSA-N -1 1 393.402 1.065 20 0 GDADMM CC[C@](C)(CCCNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)C1OCCO1 ZINC000820853454 606955801 /nfs/dbraw/zinc/95/58/01/606955801.db2.gz MVKMBVVLHNWESC-MRXNPFEDSA-N -1 1 378.437 1.291 20 0 GDADMM CC[C@](C)(CCCNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)C1OCCO1 ZINC000820853454 606955802 /nfs/dbraw/zinc/95/58/02/606955802.db2.gz MVKMBVVLHNWESC-MRXNPFEDSA-N -1 1 378.437 1.291 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC2(C(=O)OC(C)(C)C)CCCC2)n1 ZINC000822609374 606955992 /nfs/dbraw/zinc/95/59/92/606955992.db2.gz NACQXHISFJBQQL-UHFFFAOYSA-N -1 1 376.421 1.376 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC2(C(=O)OC(C)(C)C)CCCC2)n1 ZINC000822609374 606955994 /nfs/dbraw/zinc/95/59/94/606955994.db2.gz NACQXHISFJBQQL-UHFFFAOYSA-N -1 1 376.421 1.376 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000823600564 607006314 /nfs/dbraw/zinc/00/63/14/607006314.db2.gz IMWPVNLXUMQLQX-BZNIZROVSA-N -1 1 381.433 1.322 20 0 GDADMM C[C@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C[C@@H]1n1ccnc1 ZINC000820727240 607052486 /nfs/dbraw/zinc/05/24/86/607052486.db2.gz JMDMSVACKIXQIX-AAEUAGOBSA-N -1 1 391.432 1.474 20 0 GDADMM C[C@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C[C@@H]1n1ccnc1 ZINC000820727240 607052489 /nfs/dbraw/zinc/05/24/89/607052489.db2.gz JMDMSVACKIXQIX-AAEUAGOBSA-N -1 1 391.432 1.474 20 0 GDADMM COC(=O)C(C)(C)[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000821637417 607075981 /nfs/dbraw/zinc/07/59/81/607075981.db2.gz FKEPQVLYNBFTHT-HNNXBMFYSA-N -1 1 380.408 1.932 20 0 GDADMM COC(=O)C(C)(C)[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000821637417 607075982 /nfs/dbraw/zinc/07/59/82/607075982.db2.gz FKEPQVLYNBFTHT-HNNXBMFYSA-N -1 1 380.408 1.932 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)NCC[C@H](C)[S@](C)=O)c1-c1nn[n-]n1 ZINC000821990091 607099179 /nfs/dbraw/zinc/09/91/79/607099179.db2.gz PTCXKWSCHUGDLV-MGGBDBEPSA-N -1 1 394.526 1.748 20 0 GDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000823379739 607105281 /nfs/dbraw/zinc/10/52/81/607105281.db2.gz GPNLGYIEOCDXMR-LBPRGKRZSA-N -1 1 383.437 1.814 20 0 GDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000823379739 607105283 /nfs/dbraw/zinc/10/52/83/607105283.db2.gz GPNLGYIEOCDXMR-LBPRGKRZSA-N -1 1 383.437 1.814 20 0 GDADMM O=C(Cc1ccccc1)N1CCC[C@H]1C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000823380180 607110604 /nfs/dbraw/zinc/11/06/04/607110604.db2.gz RTZQOYSAXGTYBV-LBPRGKRZSA-N -1 1 383.437 1.495 20 0 GDADMM O=C(Cc1ccccc1)N1CCC[C@H]1C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000823380180 607110605 /nfs/dbraw/zinc/11/06/05/607110605.db2.gz RTZQOYSAXGTYBV-LBPRGKRZSA-N -1 1 383.437 1.495 20 0 GDADMM CCOC(=O)[C@]1(CCOC(=O)c2ccc(-c3nnn[n-]3)s2)CCCC1=O ZINC000821321116 607113217 /nfs/dbraw/zinc/11/32/17/607113217.db2.gz TXDZFNCVVFGZFP-INIZCTEOSA-N -1 1 378.410 1.778 20 0 GDADMM CCOC(=O)[C@]1(CCOC(=O)c2ccc(-c3nn[n-]n3)s2)CCCC1=O ZINC000821321116 607113218 /nfs/dbraw/zinc/11/32/18/607113218.db2.gz TXDZFNCVVFGZFP-INIZCTEOSA-N -1 1 378.410 1.778 20 0 GDADMM COc1cc(N[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)cc(OC)c1 ZINC000821719300 607119152 /nfs/dbraw/zinc/11/91/52/607119152.db2.gz AUCAVIUFAAKRKX-GFCCVEGCSA-N -1 1 382.428 1.755 20 0 GDADMM COc1cc(N[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)cc(OC)c1 ZINC000821719300 607119154 /nfs/dbraw/zinc/11/91/54/607119154.db2.gz AUCAVIUFAAKRKX-GFCCVEGCSA-N -1 1 382.428 1.755 20 0 GDADMM O=C(NC1CC=CC1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000823144159 607126133 /nfs/dbraw/zinc/12/61/33/607126133.db2.gz BMVUHVXKBBBOHD-UHFFFAOYSA-N -1 1 396.411 1.665 20 0 GDADMM O=C(C1=CCCC1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000822911969 607154197 /nfs/dbraw/zinc/15/41/97/607154197.db2.gz GOCWHQCNLKVKLM-UHFFFAOYSA-N -1 1 381.396 1.874 20 0 GDADMM Cc1cc(Oc2ncccc2-c2nn[n-]n2)ccc1NC(=O)[C@H]1CCNC(=O)C1 ZINC000822212032 607155532 /nfs/dbraw/zinc/15/55/32/607155532.db2.gz ZJQGIPWRPYTAKD-LBPRGKRZSA-N -1 1 393.407 1.827 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1-c1nn[n-]n1 ZINC000821970467 607159580 /nfs/dbraw/zinc/15/95/80/607159580.db2.gz OCGKYIXXPSHZTB-BTDLBPIBSA-N -1 1 390.469 1.456 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC000822004122 607168895 /nfs/dbraw/zinc/16/88/95/607168895.db2.gz AVECRHPWIUWICO-CYBMUJFWSA-N -1 1 386.456 1.735 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCCSCCCO ZINC000822540656 607218445 /nfs/dbraw/zinc/21/84/45/607218445.db2.gz DUSRYAWOWNHAMU-UHFFFAOYSA-N -1 1 376.442 1.404 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCSCCCO ZINC000822540656 607218446 /nfs/dbraw/zinc/21/84/46/607218446.db2.gz DUSRYAWOWNHAMU-UHFFFAOYSA-N -1 1 376.442 1.404 20 0 GDADMM Cc1cc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)ccc1OCC(F)(F)F ZINC000822208556 607218543 /nfs/dbraw/zinc/21/85/43/607218543.db2.gz XPLBTMNZDIPVJK-UHFFFAOYSA-N -1 1 382.306 1.346 20 0 GDADMM CCN(Cc1cccc(-c2ccncc2)c1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821222407 607219503 /nfs/dbraw/zinc/21/95/03/607219503.db2.gz QZWJZCGYQWSUPL-UHFFFAOYSA-N -1 1 389.423 1.569 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC[C@H](C)c2c(C)noc2C)cc1-c1nn[n-]n1 ZINC000826229940 607780896 /nfs/dbraw/zinc/78/08/96/607780896.db2.gz XHBSOUQIKRFLMM-ZETCQYMHSA-N -1 1 389.441 1.828 20 0 GDADMM O=C(CSCc1ccc(-c2nn[nH]n2)cc1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000826420032 607792536 /nfs/dbraw/zinc/79/25/36/607792536.db2.gz WFIVXMZLZXRBCE-ZDUSSCGKSA-N -1 1 385.457 1.019 20 0 GDADMM CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000825201627 607803666 /nfs/dbraw/zinc/80/36/66/607803666.db2.gz INMIPISFNXTXMU-YPMHNXCESA-N -1 1 389.464 1.005 20 0 GDADMM CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000825201627 607803667 /nfs/dbraw/zinc/80/36/67/607803667.db2.gz INMIPISFNXTXMU-YPMHNXCESA-N -1 1 389.464 1.005 20 0 GDADMM CCN(CCc1nccs1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825429240 607818656 /nfs/dbraw/zinc/81/86/56/607818656.db2.gz ZAIROPWTXRFJRT-UHFFFAOYSA-N -1 1 382.446 1.716 20 0 GDADMM C[C@@H]1COCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C1 ZINC000825006620 607819199 /nfs/dbraw/zinc/81/91/99/607819199.db2.gz MMOXXLIUQJCBJE-VIFPVBQESA-N -1 1 391.375 1.543 20 0 GDADMM CCOC(=O)CCN(C(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)C1CC1 ZINC000825511830 607835725 /nfs/dbraw/zinc/83/57/25/607835725.db2.gz HIIJBVIPINVPSK-UHFFFAOYSA-N -1 1 392.441 1.247 20 0 GDADMM CC[C@@H](CCOC)OC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000825114807 607836579 /nfs/dbraw/zinc/83/65/79/607836579.db2.gz QDHGKHVHHKZFPK-ZDUSSCGKSA-N -1 1 387.444 1.817 20 0 GDADMM CC[C@@H](CCOC)OC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000825114807 607836580 /nfs/dbraw/zinc/83/65/80/607836580.db2.gz QDHGKHVHHKZFPK-ZDUSSCGKSA-N -1 1 387.444 1.817 20 0 GDADMM CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000825626038 607885847 /nfs/dbraw/zinc/88/58/47/607885847.db2.gz FVQAASMBRQAGPW-UHFFFAOYSA-N -1 1 392.397 1.019 20 0 GDADMM O=c1[nH]c(CN2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)nc2ccsc21 ZINC000826500930 607895774 /nfs/dbraw/zinc/89/57/74/607895774.db2.gz RXOICRIPYDRQCY-UHFFFAOYSA-N -1 1 395.452 1.294 20 0 GDADMM O=c1[nH]c(CN2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)nc2ccsc21 ZINC000826500930 607895775 /nfs/dbraw/zinc/89/57/75/607895775.db2.gz RXOICRIPYDRQCY-UHFFFAOYSA-N -1 1 395.452 1.294 20 0 GDADMM CCCS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825342426 607998469 /nfs/dbraw/zinc/99/84/69/607998469.db2.gz SCTSSNFKFWWZAL-ZDUSSCGKSA-N -1 1 394.457 1.105 20 0 GDADMM O=C(Cc1cccs1)N1CCC[C@@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826451077 607999893 /nfs/dbraw/zinc/99/98/93/607999893.db2.gz PFSYEUNEHFPKNP-CQSZACIVSA-N -1 1 398.448 1.806 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@@H](CCC(=O)n2ncc(-c3nn[n-]n3)c2N)C1 ZINC000824103650 608011268 /nfs/dbraw/zinc/01/12/68/608011268.db2.gz FSEAFYGNWQYUFL-SNVBAGLBSA-N -1 1 376.421 1.323 20 0 GDADMM O=C([O-])C1(NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CCCCC1 ZINC000826461174 608011588 /nfs/dbraw/zinc/01/15/88/608011588.db2.gz JJPSBHZBIRXISE-UHFFFAOYSA-N -1 1 387.368 1.211 20 0 GDADMM O=C(Cn1ccnc1-c1nnn[n-]1)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000826425182 608014513 /nfs/dbraw/zinc/01/45/13/608014513.db2.gz SMLPKJGQNMILAJ-UHFFFAOYSA-N -1 1 386.847 1.061 20 0 GDADMM O=C(Cn1ccnc1-c1nn[n-]n1)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000826425182 608014514 /nfs/dbraw/zinc/01/45/14/608014514.db2.gz SMLPKJGQNMILAJ-UHFFFAOYSA-N -1 1 386.847 1.061 20 0 GDADMM CCOC(=O)C[C@@H](C)CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825498730 608026584 /nfs/dbraw/zinc/02/65/84/608026584.db2.gz BKOYXVKVCOIRCC-SECBINFHSA-N -1 1 387.849 1.388 20 0 GDADMM CCOC(=O)C[C@@H](C)CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825498730 608026585 /nfs/dbraw/zinc/02/65/85/608026585.db2.gz BKOYXVKVCOIRCC-SECBINFHSA-N -1 1 387.849 1.388 20 0 GDADMM CC(=O)N(CCc1ccccc1)CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823966982 608075294 /nfs/dbraw/zinc/07/52/94/608075294.db2.gz FRHFHWFHLBHLGQ-UHFFFAOYSA-N -1 1 380.408 1.602 20 0 GDADMM CNC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c(Cl)c1 ZINC000826067785 608100919 /nfs/dbraw/zinc/10/09/19/608100919.db2.gz KFIZIOGZSPPVFT-UHFFFAOYSA-N -1 1 393.816 1.076 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCOCC12CCCC2 ZINC000826233034 608102905 /nfs/dbraw/zinc/10/29/05/608102905.db2.gz RDUZILSZMVXTBP-UHFFFAOYSA-N -1 1 386.456 1.688 20 0 GDADMM O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000826405988 608108947 /nfs/dbraw/zinc/10/89/47/608108947.db2.gz CBRATWZMNVFQKL-CQSZACIVSA-N -1 1 397.443 1.335 20 0 GDADMM Cc1oc(NC(=O)[C@H](C)N(C)CC(=O)OC(C)(C)C)c(-c2nn[n-]n2)c1C ZINC000826340720 608155050 /nfs/dbraw/zinc/15/50/50/608155050.db2.gz IJDKZMSPOZORSG-JTQLQIEISA-N -1 1 378.433 1.677 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCN2C(=O)OCC[C@H]2C1 ZINC000826341145 608158648 /nfs/dbraw/zinc/15/86/48/608158648.db2.gz YAIBUMTWMLMQON-LBPRGKRZSA-N -1 1 397.395 1.226 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCN2C(=O)OCC[C@H]2C1 ZINC000826341145 608158650 /nfs/dbraw/zinc/15/86/50/608158650.db2.gz YAIBUMTWMLMQON-LBPRGKRZSA-N -1 1 397.395 1.226 20 0 GDADMM C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC000824772701 608182017 /nfs/dbraw/zinc/18/20/17/608182017.db2.gz WPYUAQNXUJQMLJ-ZETCQYMHSA-N -1 1 399.889 1.821 20 0 GDADMM C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC000824772701 608182018 /nfs/dbraw/zinc/18/20/18/608182018.db2.gz WPYUAQNXUJQMLJ-ZETCQYMHSA-N -1 1 399.889 1.821 20 0 GDADMM Cc1ccc2ncnc(N3CCN(c4nccnc4-c4nnn[n-]4)C[C@@H]3C)c2c1 ZINC000826295636 608189272 /nfs/dbraw/zinc/18/92/72/608189272.db2.gz QPUBODRFDZOVKS-ZDUSSCGKSA-N -1 1 388.439 1.623 20 0 GDADMM Cc1ccc2ncnc(N3CCN(c4nccnc4-c4nn[n-]n4)C[C@@H]3C)c2c1 ZINC000826295636 608189273 /nfs/dbraw/zinc/18/92/73/608189273.db2.gz QPUBODRFDZOVKS-ZDUSSCGKSA-N -1 1 388.439 1.623 20 0 GDADMM Clc1nsc(N2CCO[C@H](CNc3cccnn3)C2)c1-c1nnn[n-]1 ZINC000826354024 608190906 /nfs/dbraw/zinc/19/09/06/608190906.db2.gz NBOBQHADOULVCU-MRVPVSSYSA-N -1 1 379.837 1.084 20 0 GDADMM Clc1nsc(N2CCO[C@H](CNc3cccnn3)C2)c1-c1nn[n-]n1 ZINC000826354024 608190907 /nfs/dbraw/zinc/19/09/07/608190907.db2.gz NBOBQHADOULVCU-MRVPVSSYSA-N -1 1 379.837 1.084 20 0 GDADMM CCOc1ccc(CCC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000825638894 608211105 /nfs/dbraw/zinc/21/11/05/608211105.db2.gz QRASWRQXNUJKLY-UHFFFAOYSA-N -1 1 398.471 1.595 20 0 GDADMM CCOc1ccc(CCC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000825638894 608211106 /nfs/dbraw/zinc/21/11/06/608211106.db2.gz QRASWRQXNUJKLY-UHFFFAOYSA-N -1 1 398.471 1.595 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cc2cc(F)ccc2[nH]1 ZINC000825934736 608211728 /nfs/dbraw/zinc/21/17/28/608211728.db2.gz RBHWPZNFQNYHPS-UHFFFAOYSA-N -1 1 383.391 1.497 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cc2cc(F)ccc2[nH]1 ZINC000825934736 608211729 /nfs/dbraw/zinc/21/17/29/608211729.db2.gz RBHWPZNFQNYHPS-UHFFFAOYSA-N -1 1 383.391 1.497 20 0 GDADMM COc1cccc([C@H]2C[C@@H]2C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000826215724 608212301 /nfs/dbraw/zinc/21/23/01/608212301.db2.gz XGRZTIUXJNUGQK-KGLIPLIRSA-N -1 1 396.455 1.375 20 0 GDADMM COc1cccc([C@H]2C[C@@H]2C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000826215724 608212302 /nfs/dbraw/zinc/21/23/02/608212302.db2.gz XGRZTIUXJNUGQK-KGLIPLIRSA-N -1 1 396.455 1.375 20 0 GDADMM CN1CCO[C@@H]([C@@H](Nc2nccnc2-c2nnn[n-]2)c2ccc(Cl)cc2)C1 ZINC000826044723 608235242 /nfs/dbraw/zinc/23/52/42/608235242.db2.gz JQAPHWXTFFBWSR-KGLIPLIRSA-N -1 1 386.847 1.794 20 0 GDADMM CN1CCO[C@@H]([C@@H](Nc2nccnc2-c2nn[n-]n2)c2ccc(Cl)cc2)C1 ZINC000826044723 608235244 /nfs/dbraw/zinc/23/52/44/608235244.db2.gz JQAPHWXTFFBWSR-KGLIPLIRSA-N -1 1 386.847 1.794 20 0 GDADMM O=S(=O)(N[C@H](c1ccccc1)[C@@H]1CCOC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826487593 608248276 /nfs/dbraw/zinc/24/82/76/608248276.db2.gz SWZYEVCHXBRRMO-CZUORRHYSA-N -1 1 386.437 1.318 20 0 GDADMM O=S(=O)(N[C@H](c1ccccc1)[C@@H]1CCOC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826487593 608248278 /nfs/dbraw/zinc/24/82/78/608248278.db2.gz SWZYEVCHXBRRMO-CZUORRHYSA-N -1 1 386.437 1.318 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCc2nc3c(cccc3C)[nH]2)cc1-c1nn[n-]n1 ZINC000826229894 608253891 /nfs/dbraw/zinc/25/38/91/608253891.db2.gz VXSGYXFZZMSDMO-UHFFFAOYSA-N -1 1 396.436 1.804 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)NCCCCC(N)=O)c1-c1nn[n-]n1 ZINC000826231267 608276655 /nfs/dbraw/zinc/27/66/55/608276655.db2.gz DRPCLZDVCYTYJC-UHFFFAOYSA-N -1 1 375.458 1.246 20 0 GDADMM CCC[C@H](NC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1)C(=O)OC ZINC000825242311 608333769 /nfs/dbraw/zinc/33/37/69/608333769.db2.gz OALOCIYQUODPNN-NSHDSACASA-N -1 1 390.469 1.933 20 0 GDADMM CC(C)CC[C@@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824243986 608338705 /nfs/dbraw/zinc/33/87/05/608338705.db2.gz ORBGNNMUPGMSRD-LLVKDONJSA-N -1 1 376.465 1.698 20 0 GDADMM CC(C)CC[C@@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824243986 608338707 /nfs/dbraw/zinc/33/87/07/608338707.db2.gz ORBGNNMUPGMSRD-LLVKDONJSA-N -1 1 376.465 1.698 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N2CC[C@@H]2c2ccccc2)n1 ZINC000824142886 608341410 /nfs/dbraw/zinc/34/14/10/608341410.db2.gz ZFZSHCGGZMKKCT-CQSZACIVSA-N -1 1 394.439 1.730 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N2CC[C@@H]2c2ccccc2)n1 ZINC000824142886 608341412 /nfs/dbraw/zinc/34/14/12/608341412.db2.gz ZFZSHCGGZMKKCT-CQSZACIVSA-N -1 1 394.439 1.730 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCC(O)(C(F)(F)F)CC1 ZINC000826495164 608342961 /nfs/dbraw/zinc/34/29/61/608342961.db2.gz FJTXBPWLHFJPGG-UHFFFAOYSA-N -1 1 395.338 1.084 20 0 GDADMM C[C@H]1CCC[C@H](CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000824926654 608350037 /nfs/dbraw/zinc/35/00/37/608350037.db2.gz KQQYEXFDYPBABZ-RYUDHWBXSA-N -1 1 388.476 1.699 20 0 GDADMM C[C@H]1CCC[C@H](CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000824926654 608350039 /nfs/dbraw/zinc/35/00/39/608350039.db2.gz KQQYEXFDYPBABZ-RYUDHWBXSA-N -1 1 388.476 1.699 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N2CCC(C(F)F)CC2)n1 ZINC000824141175 608357059 /nfs/dbraw/zinc/35/70/59/608357059.db2.gz DRBLAMFCRMYTGA-UHFFFAOYSA-N -1 1 396.402 1.260 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N2CCC(C(F)F)CC2)n1 ZINC000824141175 608357061 /nfs/dbraw/zinc/35/70/61/608357061.db2.gz DRBLAMFCRMYTGA-UHFFFAOYSA-N -1 1 396.402 1.260 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N[C@H]2CCCC(F)(F)C2)n1 ZINC000824148493 608358139 /nfs/dbraw/zinc/35/81/39/608358139.db2.gz WYUZTOJGCHLECU-VIFPVBQESA-N -1 1 396.402 1.451 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N[C@H]2CCCC(F)(F)C2)n1 ZINC000824148493 608358141 /nfs/dbraw/zinc/35/81/41/608358141.db2.gz WYUZTOJGCHLECU-VIFPVBQESA-N -1 1 396.402 1.451 20 0 GDADMM CCN(CC)S(=O)(=O)c1ccc(Sc2ccc(-c3nnn[n-]3)nn2)nc1 ZINC000825418168 608391436 /nfs/dbraw/zinc/39/14/36/608391436.db2.gz YABABNFNTGYWTD-UHFFFAOYSA-N -1 1 392.470 1.233 20 0 GDADMM CCN(CC)S(=O)(=O)c1ccc(Sc2ccc(-c3nn[n-]n3)nn2)nc1 ZINC000825418168 608391438 /nfs/dbraw/zinc/39/14/38/608391438.db2.gz YABABNFNTGYWTD-UHFFFAOYSA-N -1 1 392.470 1.233 20 0 GDADMM O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826453737 608402651 /nfs/dbraw/zinc/40/26/51/608402651.db2.gz XOZHPZIZXNRQSX-JTQLQIEISA-N -1 1 385.819 1.560 20 0 GDADMM O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826453737 608402653 /nfs/dbraw/zinc/40/26/53/608402653.db2.gz XOZHPZIZXNRQSX-JTQLQIEISA-N -1 1 385.819 1.560 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC1C[C@H](C)O[C@@H](C)C1 ZINC000826328549 608491720 /nfs/dbraw/zinc/49/17/20/608491720.db2.gz VIRKVCQSQNIBQK-QWRGUYRKSA-N -1 1 398.471 1.531 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC1C[C@H](C)O[C@@H](C)C1 ZINC000826328549 608491721 /nfs/dbraw/zinc/49/17/21/608491721.db2.gz VIRKVCQSQNIBQK-QWRGUYRKSA-N -1 1 398.471 1.531 20 0 GDADMM CCn1cc(CN2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)cn1 ZINC000825799842 608548411 /nfs/dbraw/zinc/54/84/11/608548411.db2.gz TVVOTVAJZCOEDA-UHFFFAOYSA-N -1 1 395.427 1.653 20 0 GDADMM CCCOc1cccc(CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000825342436 608555208 /nfs/dbraw/zinc/55/52/08/608555208.db2.gz SJPIORVQSBBIQM-UHFFFAOYSA-N -1 1 398.471 1.595 20 0 GDADMM CCCOc1cccc(CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000825342436 608555209 /nfs/dbraw/zinc/55/52/09/608555209.db2.gz SJPIORVQSBBIQM-UHFFFAOYSA-N -1 1 398.471 1.595 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1occc1Br ZINC000825935115 608555343 /nfs/dbraw/zinc/55/53/43/608555343.db2.gz UZSRAMMASFWBLS-UHFFFAOYSA-N -1 1 395.221 1.232 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1occc1Br ZINC000825935115 608555345 /nfs/dbraw/zinc/55/53/45/608555345.db2.gz UZSRAMMASFWBLS-UHFFFAOYSA-N -1 1 395.221 1.232 20 0 GDADMM Cc1cc(C)cc(C2(C(=O)N(C)CCCc3[nH]nc(N)c3-c3nnn[n-]3)CC2)c1 ZINC000826264084 608555809 /nfs/dbraw/zinc/55/58/09/608555809.db2.gz BJTQEGGJTYAXQL-UHFFFAOYSA-N -1 1 394.483 1.912 20 0 GDADMM Cc1cc(C)cc(C2(C(=O)N(C)CCCc3[nH]nc(N)c3-c3nn[n-]n3)CC2)c1 ZINC000826264084 608555810 /nfs/dbraw/zinc/55/58/10/608555810.db2.gz BJTQEGGJTYAXQL-UHFFFAOYSA-N -1 1 394.483 1.912 20 0 GDADMM CC[C@@H](OC1CCCCC1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825152844 608556326 /nfs/dbraw/zinc/55/63/26/608556326.db2.gz CYJGQLPMTJMWDJ-CQSZACIVSA-N -1 1 390.492 1.691 20 0 GDADMM CC[C@@H](OC1CCCCC1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825152844 608556328 /nfs/dbraw/zinc/55/63/28/608556328.db2.gz CYJGQLPMTJMWDJ-CQSZACIVSA-N -1 1 390.492 1.691 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)/C=C\SCc1ccco1 ZINC000825923086 608558062 /nfs/dbraw/zinc/55/80/62/608558062.db2.gz BNGCMPHSMSATRV-TWGQIWQCSA-N -1 1 388.457 1.603 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)/C=C\SCc1ccco1 ZINC000825923086 608558064 /nfs/dbraw/zinc/55/80/64/608558064.db2.gz BNGCMPHSMSATRV-TWGQIWQCSA-N -1 1 388.457 1.603 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C[C@@H]1CCc2ccccc21 ZINC000825923315 608558198 /nfs/dbraw/zinc/55/81/98/608558198.db2.gz GTQPMKXUCOQNDW-ZDUSSCGKSA-N -1 1 380.456 1.683 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C[C@@H]1CCc2ccccc21 ZINC000825923315 608558200 /nfs/dbraw/zinc/55/82/00/608558200.db2.gz GTQPMKXUCOQNDW-ZDUSSCGKSA-N -1 1 380.456 1.683 20 0 GDADMM Cc1ccc(F)c(OCC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000826289946 608561089 /nfs/dbraw/zinc/56/10/89/608561089.db2.gz SUURSBNGBMUUOB-UHFFFAOYSA-N -1 1 388.407 1.090 20 0 GDADMM Cc1ccc(F)c(OCC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000826289946 608561092 /nfs/dbraw/zinc/56/10/92/608561092.db2.gz SUURSBNGBMUUOB-UHFFFAOYSA-N -1 1 388.407 1.090 20 0 GDADMM CN1Cc2cc(OS(=O)(=O)c3ccc(F)cc3-c3nnn[n-]3)ccc2C1=O ZINC000826045497 608562302 /nfs/dbraw/zinc/56/23/02/608562302.db2.gz XDPZKADNAWSWBD-UHFFFAOYSA-N -1 1 389.368 1.359 20 0 GDADMM CN1Cc2cc(OS(=O)(=O)c3ccc(F)cc3-c3nn[n-]n3)ccc2C1=O ZINC000826045497 608562304 /nfs/dbraw/zinc/56/23/04/608562304.db2.gz XDPZKADNAWSWBD-UHFFFAOYSA-N -1 1 389.368 1.359 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCc2cc(F)ccc2C1 ZINC000826495278 608565598 /nfs/dbraw/zinc/56/55/98/608565598.db2.gz JLLCJKKUSXGFHS-UHFFFAOYSA-N -1 1 377.376 1.892 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)N2C[C@@H](CO)OC[C@H]2C)c1-c1nn[n-]n1 ZINC000826231470 608620324 /nfs/dbraw/zinc/62/03/24/608620324.db2.gz MVKODCXXDBHFKG-KOLCDFICSA-N -1 1 390.469 1.083 20 0 GDADMM C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CCO1 ZINC000824892089 608758824 /nfs/dbraw/zinc/75/88/24/608758824.db2.gz DFPKYKJDWVAIDA-PSASIEDQSA-N -1 1 391.375 1.731 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCc1cc(Cl)ccn1 ZINC000826233109 608863418 /nfs/dbraw/zinc/86/34/18/608863418.db2.gz UMYYSCUYKQLMLO-UHFFFAOYSA-N -1 1 387.831 1.882 20 0 GDADMM Cc1oc(NC(=O)[C@H](C)N(C)Cc2cnc(N(C)C)nc2)c(-c2nn[n-]n2)c1C ZINC000826341580 609141711 /nfs/dbraw/zinc/14/17/11/609141711.db2.gz KZFCITMDAXETRM-NSHDSACASA-N -1 1 399.459 1.392 20 0 GDADMM CCCCCN(CC(N)=O)C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000825271165 609170297 /nfs/dbraw/zinc/17/02/97/609170297.db2.gz IBQCAYVSDFBHDL-UHFFFAOYSA-N -1 1 389.460 1.021 20 0 GDADMM O=S(=O)(N[C@H]1CCCOc2cc(F)ccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000826488368 609183051 /nfs/dbraw/zinc/18/30/51/609183051.db2.gz ODFWAUVBLLFTRN-ZDUSSCGKSA-N -1 1 390.400 1.593 20 0 GDADMM O=S(=O)(N[C@H]1CCCOc2cc(F)ccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000826488368 609183053 /nfs/dbraw/zinc/18/30/53/609183053.db2.gz ODFWAUVBLLFTRN-ZDUSSCGKSA-N -1 1 390.400 1.593 20 0 GDADMM CCc1ncncc1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825754518 609288874 /nfs/dbraw/zinc/28/88/74/609288874.db2.gz AUWMXWSYCYJEKM-UHFFFAOYSA-N -1 1 379.359 1.796 20 0 GDADMM CCOCCOCC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825599448 609288883 /nfs/dbraw/zinc/28/88/83/609288883.db2.gz MODOKXUDBLRERF-UHFFFAOYSA-N -1 1 375.364 1.183 20 0 GDADMM CCC(=O)N1CC[C@@H](C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1 ZINC000825034051 609292553 /nfs/dbraw/zinc/29/25/53/609292553.db2.gz DIXRUJUKOPBAMF-LLVKDONJSA-N -1 1 398.402 1.389 20 0 GDADMM CC[C@H](CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccccc1 ZINC000825121459 609298181 /nfs/dbraw/zinc/29/81/81/609298181.db2.gz RPRASGSQJDJDSK-CYBMUJFWSA-N -1 1 397.487 1.940 20 0 GDADMM CC[C@H](CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccccc1 ZINC000825121459 609298183 /nfs/dbraw/zinc/29/81/83/609298183.db2.gz RPRASGSQJDJDSK-CYBMUJFWSA-N -1 1 397.487 1.940 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCC[C@@H](OC(F)F)C1 ZINC000826495365 609319005 /nfs/dbraw/zinc/31/90/05/609319005.db2.gz NAVSWVIZDRRNFN-MRVPVSSYSA-N -1 1 393.803 1.912 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCC[C@@H](OC(F)F)C1 ZINC000826495365 609319008 /nfs/dbraw/zinc/31/90/08/609319008.db2.gz NAVSWVIZDRRNFN-MRVPVSSYSA-N -1 1 393.803 1.912 20 0 GDADMM NC(=O)c1csc(CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)c1 ZINC000826393798 609321052 /nfs/dbraw/zinc/32/10/52/609321052.db2.gz KCUOASSIQBABRL-UHFFFAOYSA-N -1 1 384.400 1.964 20 0 GDADMM C[C@H]1CCCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1 ZINC000824937784 609353269 /nfs/dbraw/zinc/35/32/69/609353269.db2.gz RDFGOGWQJNERQO-NSHDSACASA-N -1 1 398.402 1.389 20 0 GDADMM Cc1cc2c(cc1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)OCO2 ZINC000826272829 609356203 /nfs/dbraw/zinc/35/62/03/609356203.db2.gz DCEZCNYLEWSYDN-UHFFFAOYSA-N -1 1 399.415 1.306 20 0 GDADMM Cc1cc2c(cc1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)OCO2 ZINC000826272829 609356205 /nfs/dbraw/zinc/35/62/05/609356205.db2.gz DCEZCNYLEWSYDN-UHFFFAOYSA-N -1 1 399.415 1.306 20 0 GDADMM COC(=O)[C@@H](C)CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826103174 609359139 /nfs/dbraw/zinc/35/91/39/609359139.db2.gz DNEWLTXOCUEVBG-VIFPVBQESA-N -1 1 388.363 1.122 20 0 GDADMM O=C(NCCCn1cccn1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826437354 609362790 /nfs/dbraw/zinc/36/27/90/609362790.db2.gz HUPNLGPJCRXLLK-UHFFFAOYSA-N -1 1 396.390 1.600 20 0 GDADMM C[C@H](NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C1CCC1 ZINC000824470263 609367542 /nfs/dbraw/zinc/36/75/42/609367542.db2.gz HEVAMIDFDOAKOH-JTQLQIEISA-N -1 1 398.402 1.435 20 0 GDADMM C[C@@H]1[C@@H](C)CCN1C(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824945457 609367873 /nfs/dbraw/zinc/36/78/73/609367873.db2.gz CTEZIQVDOUYFQN-WDEREUQCSA-N -1 1 398.402 1.387 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OC[C@H]1CCO[C@H](C)C1 ZINC000826328434 609391670 /nfs/dbraw/zinc/39/16/70/609391670.db2.gz REJNHNQUEYGXQW-RISCZKNCSA-N -1 1 399.455 1.817 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OC[C@H]1CCO[C@H](C)C1 ZINC000826328434 609391672 /nfs/dbraw/zinc/39/16/72/609391672.db2.gz REJNHNQUEYGXQW-RISCZKNCSA-N -1 1 399.455 1.817 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CC[C@H](C)[C@@H](F)C1 ZINC000826327580 609401734 /nfs/dbraw/zinc/40/17/34/609401734.db2.gz MWUBKDLOBAWWEV-BONVTDFDSA-N -1 1 386.435 1.665 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CC[C@H](C)[C@@H](F)C1 ZINC000826327580 609401736 /nfs/dbraw/zinc/40/17/36/609401736.db2.gz MWUBKDLOBAWWEV-BONVTDFDSA-N -1 1 386.435 1.665 20 0 GDADMM COCc1ccsc1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826165539 609406455 /nfs/dbraw/zinc/40/64/55/609406455.db2.gz ZMHNQGHQINYOPZ-UHFFFAOYSA-N -1 1 376.446 1.085 20 0 GDADMM COCc1ccsc1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826165539 609406457 /nfs/dbraw/zinc/40/64/57/609406457.db2.gz ZMHNQGHQINYOPZ-UHFFFAOYSA-N -1 1 376.446 1.085 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@@H](CO)c2ccccc2C)cc1-c1nn[n-]n1 ZINC000826229412 609406541 /nfs/dbraw/zinc/40/65/41/609406541.db2.gz DALIXWYUJNEEOD-ZDUSSCGKSA-N -1 1 386.437 1.461 20 0 GDADMM C[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1cncc(F)c1 ZINC000824489932 609412401 /nfs/dbraw/zinc/41/24/01/609412401.db2.gz NTFPZOLMZUTXAP-VIFPVBQESA-N -1 1 388.411 1.041 20 0 GDADMM C[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1cncc(F)c1 ZINC000824489932 609412403 /nfs/dbraw/zinc/41/24/03/609412403.db2.gz NTFPZOLMZUTXAP-VIFPVBQESA-N -1 1 388.411 1.041 20 0 GDADMM CC(C)N(C)S(=O)(=O)[N-]c1ccn(-c2ccc(-c3nn[nH]n3)cc2Cl)n1 ZINC000824288311 609456558 /nfs/dbraw/zinc/45/65/58/609456558.db2.gz CPIARXPNCHLQIG-UHFFFAOYSA-N -1 1 396.864 1.703 20 0 GDADMM O=S(=O)([N-]c1ccn(-c2ccc(-c3nn[nH]n3)cc2Cl)n1)N1CCCC1 ZINC000826493144 609457687 /nfs/dbraw/zinc/45/76/87/609457687.db2.gz VNIILSRNVRBFDH-UHFFFAOYSA-N -1 1 394.848 1.458 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C)c1-c1nnn[n-]1 ZINC000826345519 609472788 /nfs/dbraw/zinc/47/27/88/609472788.db2.gz MXFNHHAVLUUQII-VIFPVBQESA-N -1 1 379.421 1.125 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C)c1-c1nn[n-]n1 ZINC000826345519 609472790 /nfs/dbraw/zinc/47/27/90/609472790.db2.gz MXFNHHAVLUUQII-VIFPVBQESA-N -1 1 379.421 1.125 20 0 GDADMM Cc1noc(C2CC2)c1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000826339753 609506703 /nfs/dbraw/zinc/50/67/03/609506703.db2.gz RQRYZPIKPGGPII-SNVBAGLBSA-N -1 1 395.427 1.181 20 0 GDADMM Cc1noc(C2CC2)c1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000826339753 609506705 /nfs/dbraw/zinc/50/67/05/609506705.db2.gz RQRYZPIKPGGPII-SNVBAGLBSA-N -1 1 395.427 1.181 20 0 GDADMM COC1(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CCC1 ZINC000826144282 609573297 /nfs/dbraw/zinc/57/32/97/609573297.db2.gz GFYROCKGKHSEHU-UHFFFAOYSA-N -1 1 391.375 1.733 20 0 GDADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CCO[C@@H]2C2CC2)c(F)c1 ZINC000534820455 650231801 /nfs/dbraw/zinc/23/18/01/650231801.db2.gz KYUGSLLVVBNCGR-TZMCWYRMSA-N -1 1 378.447 1.043 20 0 GDADMM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2c(F)cccc2CO)cc1F ZINC000535685608 650253443 /nfs/dbraw/zinc/25/34/43/650253443.db2.gz JQQLTKJEJBDULK-UHFFFAOYSA-N -1 1 377.390 1.661 20 0 GDADMM COc1cc(C)sc1C(=O)NCC[N-]S(=O)(=O)c1sc(=O)[nH]c1C ZINC000536598535 650273458 /nfs/dbraw/zinc/27/34/58/650273458.db2.gz DTWYLPDTXYKAAD-UHFFFAOYSA-N -1 1 391.496 1.244 20 0 GDADMM CCS(=O)(=O)N1CCC(C[N-]S(=O)(=O)c2cc3ccccc3o2)CC1 ZINC000544650912 650442890 /nfs/dbraw/zinc/44/28/90/650442890.db2.gz WRGQDEFMYZEYJX-UHFFFAOYSA-N -1 1 386.495 1.773 20 0 GDADMM NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(I)c([O-])c1 ZINC000544882474 650447761 /nfs/dbraw/zinc/44/77/61/650447761.db2.gz YPIBEJOGKSLUBD-KOLCDFICSA-N -1 1 388.205 1.771 20 0 GDADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(N2CN=NC2=O)c1 ZINC000545315183 650453442 /nfs/dbraw/zinc/45/34/42/650453442.db2.gz HXGGSKHCXYXKDT-UHFFFAOYSA-N -1 1 380.407 1.842 20 0 GDADMM CCC(=O)Nc1cccc(C[N-]S(=O)(=O)c2scnc2C(=O)OC)c1 ZINC000545906374 650465240 /nfs/dbraw/zinc/46/52/40/650465240.db2.gz BLRQSJHYZOOLJC-UHFFFAOYSA-N -1 1 383.451 1.757 20 0 GDADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC([C@](C)(O)C(F)(F)F)CC2)co1 ZINC000546663845 650483001 /nfs/dbraw/zinc/48/30/01/650483001.db2.gz CDSDRGANEHNTAY-ZDUSSCGKSA-N -1 1 384.376 1.353 20 0 GDADMM O=C(NC[C@@H](O)COCC1CC1)c1ccc(I)c([O-])c1 ZINC000546871603 650488417 /nfs/dbraw/zinc/48/84/17/650488417.db2.gz AOUCQZDCDUTNBP-LLVKDONJSA-N -1 1 391.205 1.514 20 0 GDADMM Cc1[nH][nH]c(=O)c1CCNC(=O)c1ccc(I)c([O-])c1 ZINC000546897445 650489591 /nfs/dbraw/zinc/48/95/91/650489591.db2.gz INGDLKHULQJOJN-SECBINFHSA-N -1 1 387.177 1.239 20 0 GDADMM Cc1cc(C[N-]S(=O)(=O)c2ccccc2S(=O)(=O)N2CCCC2)on1 ZINC000547795400 650515908 /nfs/dbraw/zinc/51/59/08/650515908.db2.gz GIDHPOKTBWQZGZ-UHFFFAOYSA-N -1 1 385.467 1.246 20 0 GDADMM COC(=O)C1(CS(=O)(=O)[N-]C2(C(=O)OC(C)(C)C)CCCC2)CCC1 ZINC000555224389 650687558 /nfs/dbraw/zinc/68/75/58/650687558.db2.gz SZKTTXDMMLMRKG-UHFFFAOYSA-N -1 1 375.487 1.904 20 0 GDADMM CN(CC(C)(C)C)S(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cnc[nH]2)c1 ZINC000565230213 650786966 /nfs/dbraw/zinc/78/69/66/650786966.db2.gz ZRYNZPKJSFQZLW-UHFFFAOYSA-N -1 1 386.499 1.877 20 0 GDADMM CC(C)[C@@H](C)N(C)S(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cnc[nH]2)c1 ZINC000565231756 650787897 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ZINC000907485122 659761985 /nfs/dbraw/zinc/76/19/85/659761985.db2.gz JTZRUKKODQPKAA-UHFFFAOYSA-N -1 1 376.161 1.701 20 0 GDADMM CCOC(=O)C1([C@H](C)[N-]S(=O)(=O)c2cc(F)ccc2F)CCOCC1 ZINC000907656357 659802109 /nfs/dbraw/zinc/80/21/09/659802109.db2.gz LWYUMYKMHPDTNG-NSHDSACASA-N -1 1 377.409 1.992 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CC23CC(O)C3)c1F ZINC000907784929 659830110 /nfs/dbraw/zinc/83/01/10/659830110.db2.gz JIWFPOFGIAPFMU-OILJVLCYSA-N -1 1 380.235 1.789 20 0 GDADMM Cn1cnc(C[N-]S(=O)(=O)N=[S@@](=O)(c2ccccc2)C(F)(F)F)c1 ZINC000908094244 659869099 /nfs/dbraw/zinc/86/90/99/659869099.db2.gz GPZALAVBOHWEFB-HSZRJFAPSA-N -1 1 382.389 1.801 20 0 GDADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@H]2COC[C@H]2C2CC2)c1F ZINC000908403526 659904985 /nfs/dbraw/zinc/90/49/85/659904985.db2.gz DEQCQMFXVLIEQM-RYUDHWBXSA-N -1 1 377.821 1.969 20 0 GDADMM Cc1nc(S(=O)(=O)[N-]CCOC2CCSCC2)c(Br)n1C ZINC000908452603 659909499 /nfs/dbraw/zinc/90/94/99/659909499.db2.gz NZMOBTQELCTVOP-UHFFFAOYSA-N -1 1 398.348 1.682 20 0 GDADMM O=C([O-])[C@@]1(NC(=O)CN2CCCC2)CCc2cc(Br)ccc2C1 ZINC000910229095 659966196 /nfs/dbraw/zinc/96/61/96/659966196.db2.gz OSVGFKNVZUYOFQ-QGZVFWFLSA-N -1 1 381.270 1.973 20 0 GDADMM O=C(Cc1c[nH]c2cccc(Br)c12)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913494718 660082690 /nfs/dbraw/zinc/08/26/90/660082690.db2.gz CLTVRRDPAITPBC-GFCCVEGCSA-N -1 1 391.229 1.586 20 0 GDADMM C[C@@H](Oc1ccccc1Br)C(=O)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913494544 660082786 /nfs/dbraw/zinc/08/27/86/660082786.db2.gz FBTFFHAFZSSTMR-KOLCDFICSA-N -1 1 382.218 1.330 20 0 GDADMM O=C(CCCc1ccccc1Br)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913496011 660083443 /nfs/dbraw/zinc/08/34/43/660083443.db2.gz RCKCHBUHVPYPFE-ZDUSSCGKSA-N -1 1 380.246 1.885 20 0 GDADMM O=C(Cc1cc(Cl)ccc1Br)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913495552 660083446 /nfs/dbraw/zinc/08/34/46/660083446.db2.gz LBVARUZDUWQDEH-NSHDSACASA-N -1 1 386.637 1.758 20 0 GDADMM O=C(c1cc(I)ccc1O)N1CCC(c2nn[n-]n2)CC1 ZINC000913744269 660095134 /nfs/dbraw/zinc/09/51/34/660095134.db2.gz HMAYGKOIYOPQBN-UHFFFAOYSA-N -1 1 399.192 1.530 20 0 GDADMM COCC[C@@H](C)[N-]S(=O)(=O)c1c(OC)nn2cc(Br)cnc12 ZINC000914032090 660111759 /nfs/dbraw/zinc/11/17/59/660111759.db2.gz PGOCJWOPMTVOFJ-MRVPVSSYSA-N -1 1 393.263 1.204 20 0 GDADMM O=C(C[N-]S(=O)(=O)Cc1cccc(F)c1Br)OCC1CC1 ZINC000914043466 660112336 /nfs/dbraw/zinc/11/23/36/660112336.db2.gz CYNDCVSDTSVNRN-UHFFFAOYSA-N -1 1 380.235 1.961 20 0 GDADMM COC(=O)[C@@H](C)C[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000914254909 660132352 /nfs/dbraw/zinc/13/23/52/660132352.db2.gz UVZCCARNWSYWMH-ZETCQYMHSA-N -1 1 384.223 1.684 20 0 GDADMM CCN(CCCNC(=O)NCCc1c(F)cc([O-])cc1F)S(C)(=O)=O ZINC000914291093 660136138 /nfs/dbraw/zinc/13/61/38/660136138.db2.gz BQUUCKMKHOAMDX-UHFFFAOYSA-N -1 1 379.429 1.184 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-]CCNC(=O)N(C)C)c1F ZINC000914320578 660139572 /nfs/dbraw/zinc/13/95/72/660139572.db2.gz RNIPNRJVPNPARN-UHFFFAOYSA-N -1 1 398.254 1.146 20 0 GDADMM COCC[C@@H](CO)[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000915217828 660164407 /nfs/dbraw/zinc/16/44/07/660164407.db2.gz NMBKPDBPHBWIOW-QMMMGPOBSA-N -1 1 386.239 1.273 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CCC(=O)N[C@@H]2C)c1F ZINC000915226850 660165217 /nfs/dbraw/zinc/16/52/17/660165217.db2.gz ZXKXAGCJTFCHQF-VXNVDRBHSA-N -1 1 395.250 1.542 20 0 GDADMM C[C@@H](OC(=O)c1sccc1[N-]S(C)(=O)=O)C(=O)NC(=O)NC(C)(C)C ZINC000915876253 660180359 /nfs/dbraw/zinc/18/03/59/660180359.db2.gz NRBQCABEXSREHA-MRVPVSSYSA-N -1 1 391.471 1.289 20 0 GDADMM CCCN1CC[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])cc2Br)C1 ZINC000389342623 677677670 /nfs/dbraw/zinc/67/76/70/677677670.db2.gz RMWNLRQUEVZILG-LLVKDONJSA-N -1 1 391.287 1.910 20 0 GDADMM C[C@@H]1CN(CCCNC(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)C[C@H](C)O1 ZINC000908769209 939317433 /nfs/dbraw/zinc/31/74/33/939317433.db2.gz VIHCILYXJJQQAU-BFQNTYOBSA-N -1 1 385.411 1.889 20 0 GDADMM O=C([O-])[C@]1(NC(=O)CCN2CCN(c3ccccn3)CC2)CCc2ccccc21 ZINC000908980121 939364785 /nfs/dbraw/zinc/36/47/85/939364785.db2.gz HOORDCFCMIUUAT-QFIPXVFZSA-N -1 1 394.475 1.636 20 0 GDADMM COc1ccc([C@@H](NC(=O)c2cccc(N3CCN(C)CC3)n2)C(=O)[O-])cc1 ZINC000909329650 939396155 /nfs/dbraw/zinc/39/61/55/939396155.db2.gz VXBVONSQFQGKBJ-GOSISDBHSA-N -1 1 384.436 1.398 20 0 GDADMM COc1cccc([C@H](NC(=O)N[C@@H]2CCCN3CCSC[C@@H]23)C(=O)[O-])c1 ZINC000929066364 939809698 /nfs/dbraw/zinc/80/96/98/939809698.db2.gz WUJPBRIXENYLFB-PMPSAXMXSA-N -1 1 379.482 1.700 20 0 GDADMM COc1cccc([C@H](NC(=O)N[C@H]2CCCN3CCSC[C@@H]23)C(=O)[O-])c1 ZINC000929066362 939809838 /nfs/dbraw/zinc/80/98/38/939809838.db2.gz WUJPBRIXENYLFB-JYJNAYRXSA-N -1 1 379.482 1.700 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CCCc3cc[nH]c(=O)c32)cc1-c1nn[n-]n1 ZINC001571258301 945350900 /nfs/dbraw/zinc/35/09/00/945350900.db2.gz PNITXCYWZYLYQR-UHFFFAOYSA-N -1 1 385.409 1.383 20 0 GDADMM COC(=O)c1cc2cc(Cn3nc(C)c(C)c(-c4nn[n-]n4)c3=O)ccc2o1 ZINC000736949129 944917320 /nfs/dbraw/zinc/91/73/20/944917320.db2.gz CMEAVQNRXFUBPY-UHFFFAOYSA-N -1 1 380.364 1.621 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](NC(=O)c3cscn3)C(C)(C)C2)n1 ZINC001571261266 945424961 /nfs/dbraw/zinc/42/49/61/945424961.db2.gz CMUVIOHZWHFIGD-GFCCVEGCSA-N -1 1 385.457 1.066 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](NC(=O)c3cscn3)C(C)(C)C2)n1 ZINC001571261266 945424964 /nfs/dbraw/zinc/42/49/64/945424964.db2.gz CMUVIOHZWHFIGD-GFCCVEGCSA-N -1 1 385.457 1.066 20 0 GDADMM C[C@H]1CN(C(=O)Cc2cscn2)CC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571262354 945437190 /nfs/dbraw/zinc/43/71/90/945437190.db2.gz PUMFOECYHAGTBP-CMPLNLGQSA-N -1 1 385.457 1.005 20 0 GDADMM C[C@H]1CN(C(=O)Cc2cscn2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571262354 945437196 /nfs/dbraw/zinc/43/71/96/945437196.db2.gz PUMFOECYHAGTBP-CMPLNLGQSA-N -1 1 385.457 1.005 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccns2)C[C@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001571262526 945438831 /nfs/dbraw/zinc/43/88/31/945438831.db2.gz SLQHUQJSBWSBHJ-GHMZBOCLSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccns2)C[C@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001571262526 945438839 /nfs/dbraw/zinc/43/88/39/945438839.db2.gz SLQHUQJSBWSBHJ-GHMZBOCLSA-N -1 1 385.457 1.324 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)s1 ZINC001571262779 945441029 /nfs/dbraw/zinc/44/10/29/945441029.db2.gz XPAUHLHAWRXPCL-AOOOYVTPSA-N -1 1 385.457 1.610 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)s1 ZINC001571262779 945441033 /nfs/dbraw/zinc/44/10/33/945441033.db2.gz XPAUHLHAWRXPCL-AOOOYVTPSA-N -1 1 385.457 1.610 20 0 GDADMM Cc1nscc1C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)[C@H]1C ZINC001571262973 945447289 /nfs/dbraw/zinc/44/72/89/945447289.db2.gz DPEGMTFCUDCMAZ-JQWIXIFHSA-N -1 1 385.457 1.209 20 0 GDADMM Cc1nscc1C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)[C@H]1C ZINC001571262973 945447292 /nfs/dbraw/zinc/44/72/92/945447292.db2.gz DPEGMTFCUDCMAZ-JQWIXIFHSA-N -1 1 385.457 1.209 20 0 GDADMM Cc1ncc(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)[C@@H]2C)s1 ZINC001571263183 945451035 /nfs/dbraw/zinc/45/10/35/945451035.db2.gz JNSLIXKZRTZIQQ-MWLCHTKSSA-N -1 1 385.457 1.209 20 0 GDADMM Cc1ncsc1C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC001571263321 945456259 /nfs/dbraw/zinc/45/62/59/945456259.db2.gz MWDOBJVTMDVAJY-GXSJLCMTSA-N -1 1 385.457 1.527 20 0 GDADMM Cc1ncsc1C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC001571263321 945456263 /nfs/dbraw/zinc/45/62/63/945456263.db2.gz MWDOBJVTMDVAJY-GXSJLCMTSA-N -1 1 385.457 1.527 20 0 GDADMM Cc1ncsc1C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001571263323 945456348 /nfs/dbraw/zinc/45/63/48/945456348.db2.gz MWDOBJVTMDVAJY-MWLCHTKSSA-N -1 1 385.457 1.527 20 0 GDADMM Cc1ncsc1C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001571263323 945456353 /nfs/dbraw/zinc/45/63/53/945456353.db2.gz MWDOBJVTMDVAJY-MWLCHTKSSA-N -1 1 385.457 1.527 20 0 GDADMM Cc1nscc1C(=O)N1CCC[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571263634 945463447 /nfs/dbraw/zinc/46/34/47/945463447.db2.gz VLFNWTJYAGETJZ-LLVKDONJSA-N -1 1 385.457 1.447 20 0 GDADMM Cc1nscc1C(=O)N1CCC[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571263634 945463449 /nfs/dbraw/zinc/46/34/49/945463449.db2.gz VLFNWTJYAGETJZ-LLVKDONJSA-N -1 1 385.457 1.447 20 0 GDADMM O=C(N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cncc(Cl)c1 ZINC001571265545 945513379 /nfs/dbraw/zinc/51/33/79/945513379.db2.gz LKHHCHNSUKJZCQ-GFCCVEGCSA-N -1 1 385.819 1.104 20 0 GDADMM O=C(N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cncc(Cl)c1 ZINC001571265545 945513387 /nfs/dbraw/zinc/51/33/87/945513387.db2.gz LKHHCHNSUKJZCQ-GFCCVEGCSA-N -1 1 385.819 1.104 20 0 GDADMM O=C([O-])COc1cccc(C(=O)NC[C@@H]2CCCC[C@@H]2N2CCOCC2)c1 ZINC001602091659 971152703 /nfs/dbraw/zinc/15/27/03/971152703.db2.gz NPPCINNCTYVEGZ-WMZOPIPTSA-N -1 1 376.453 1.771 20 0 GDADMM CC(C)(O)CC(=O)N1CCC[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571265711 945519719 /nfs/dbraw/zinc/51/97/19/945519719.db2.gz OZPFXUDEYHFIAH-QMMMGPOBSA-N -1 1 385.881 1.541 20 0 GDADMM CC[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1cccc(OC)c1OC ZINC001571268293 945591658 /nfs/dbraw/zinc/59/16/58/945591658.db2.gz QTHHFUBMQVZHHO-GFCCVEGCSA-N -1 1 386.416 1.890 20 0 GDADMM CC[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1cccc(OC)c1OC ZINC001571268293 945591666 /nfs/dbraw/zinc/59/16/66/945591666.db2.gz QTHHFUBMQVZHHO-GFCCVEGCSA-N -1 1 386.416 1.890 20 0 GDADMM O=C([C@@H]1CC[C@H](F)C1)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571269174 945613206 /nfs/dbraw/zinc/61/32/06/945613206.db2.gz RCFJCAPFYKWSKF-RQJABVFESA-N -1 1 386.435 1.365 20 0 GDADMM O=C([C@@H]1CC[C@H](F)C1)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571269174 945613211 /nfs/dbraw/zinc/61/32/11/945613211.db2.gz RCFJCAPFYKWSKF-RQJABVFESA-N -1 1 386.435 1.365 20 0 GDADMM O=C(COc1ccsc1)N1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571269693 945623415 /nfs/dbraw/zinc/62/34/15/945623415.db2.gz CHGAEOIFUURSHF-NSHDSACASA-N -1 1 386.441 1.200 20 0 GDADMM O=C(COc1ccsc1)N1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571269693 945623417 /nfs/dbraw/zinc/62/34/17/945623417.db2.gz CHGAEOIFUURSHF-NSHDSACASA-N -1 1 386.441 1.200 20 0 GDADMM CCCCNC(=O)c1ccc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000821071479 945628566 /nfs/dbraw/zinc/62/85/66/945628566.db2.gz FYPYZXHRTLTIGI-UHFFFAOYSA-N -1 1 397.443 1.452 20 0 GDADMM CCCCNC(=O)c1ccc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000821071479 945628573 /nfs/dbraw/zinc/62/85/73/945628573.db2.gz FYPYZXHRTLTIGI-UHFFFAOYSA-N -1 1 397.443 1.452 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NCC[C@@H]2CCCCN2C(=O)[C@H]2CCOC2)n1 ZINC001571272208 945658309 /nfs/dbraw/zinc/65/83/09/945658309.db2.gz BBHHKIGLJVDTJY-KBPBESRZSA-N -1 1 386.460 1.185 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NCC[C@@H]2CCCCN2C(=O)[C@H]2CCOC2)n1 ZINC001571272208 945658320 /nfs/dbraw/zinc/65/83/20/945658320.db2.gz BBHHKIGLJVDTJY-KBPBESRZSA-N -1 1 386.460 1.185 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCN(C(=O)C[C@@H]3CCCCO3)C2)n1 ZINC001571272228 945658865 /nfs/dbraw/zinc/65/88/65/945658865.db2.gz BMNXZDICPHMRAT-KGLIPLIRSA-N -1 1 386.460 1.327 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCN(C(=O)C[C@@H]3CCCCO3)C2)n1 ZINC001571272228 945658868 /nfs/dbraw/zinc/65/88/68/945658868.db2.gz BMNXZDICPHMRAT-KGLIPLIRSA-N -1 1 386.460 1.327 20 0 GDADMM Cc1nsc(N(C)C[C@H]2CCCN(C(=O)c3ccc[nH]3)C2)c1-c1nn[n-]n1 ZINC001571272357 945659436 /nfs/dbraw/zinc/65/94/36/945659436.db2.gz SQKWBYNPIGLNEC-GFCCVEGCSA-N -1 1 386.485 1.948 20 0 GDADMM CO[C@H](C(=O)N1C[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C(C)(C)C1)C1CC1 ZINC001571273062 945677983 /nfs/dbraw/zinc/67/79/83/945677983.db2.gz OFZOQZUXVHAYHE-KBPBESRZSA-N -1 1 386.460 1.039 20 0 GDADMM CO[C@H](C(=O)N1C[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C(C)(C)C1)C1CC1 ZINC001571273062 945677988 /nfs/dbraw/zinc/67/79/88/945677988.db2.gz OFZOQZUXVHAYHE-KBPBESRZSA-N -1 1 386.460 1.039 20 0 GDADMM CCc1nc(N[C@@H]2CCCN(C(=O)[C@]3(C)CCOC3)C2)cc(-c2nnn[n-]2)n1 ZINC001571273095 945679026 /nfs/dbraw/zinc/67/90/26/945679026.db2.gz OZCPIJVMNCQNLT-KZULUSFZSA-N -1 1 386.460 1.049 20 0 GDADMM CCc1nc(N[C@@H]2CCCN(C(=O)[C@]3(C)CCOC3)C2)cc(-c2nn[n-]n2)n1 ZINC001571273095 945679031 /nfs/dbraw/zinc/67/90/31/945679031.db2.gz OZCPIJVMNCQNLT-KZULUSFZSA-N -1 1 386.460 1.049 20 0 GDADMM O=C(c1ccc(C(F)F)nc1)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571275381 945705079 /nfs/dbraw/zinc/70/50/79/945705079.db2.gz STHMJGYCNATRJB-JTQLQIEISA-N -1 1 387.354 1.316 20 0 GDADMM O=C(c1ccc(C(F)F)nc1)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571275381 945705082 /nfs/dbraw/zinc/70/50/82/945705082.db2.gz STHMJGYCNATRJB-JTQLQIEISA-N -1 1 387.354 1.316 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ncc(F)cc1F ZINC001571275603 945708267 /nfs/dbraw/zinc/70/82/67/945708267.db2.gz YLVIJLLYPXAMRB-LDYMZIIASA-N -1 1 387.354 1.045 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ncc(F)cc1F ZINC001571275603 945708271 /nfs/dbraw/zinc/70/82/71/945708271.db2.gz YLVIJLLYPXAMRB-LDYMZIIASA-N -1 1 387.354 1.045 20 0 GDADMM CC1(Nc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)[C@@]2(C)CCCOC2)CC1 ZINC001571279324 945775076 /nfs/dbraw/zinc/77/50/76/945775076.db2.gz UYOATVNMJPIEFV-KRWDZBQOSA-N -1 1 386.460 1.266 20 0 GDADMM CC1(Nc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)[C@@]2(C)CCCOC2)CC1 ZINC001571279324 945775086 /nfs/dbraw/zinc/77/50/86/945775086.db2.gz UYOATVNMJPIEFV-KRWDZBQOSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CCN(C(=O)[C@@H]2CCCCO2)CC1 ZINC001571279338 945775450 /nfs/dbraw/zinc/77/54/50/945775450.db2.gz VFKIJWCJZXYIDJ-DOMZBBRYSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CCN(C(=O)[C@@H]2CCCCO2)CC1 ZINC001571279338 945775454 /nfs/dbraw/zinc/77/54/54/945775454.db2.gz VFKIJWCJZXYIDJ-DOMZBBRYSA-N -1 1 386.460 1.265 20 0 GDADMM CC1(Nc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)[C@]2(C)CCCOC2)CC1 ZINC001571279325 945775747 /nfs/dbraw/zinc/77/57/47/945775747.db2.gz UYOATVNMJPIEFV-QGZVFWFLSA-N -1 1 386.460 1.266 20 0 GDADMM CC1(Nc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)[C@]2(C)CCCOC2)CC1 ZINC001571279325 945775752 /nfs/dbraw/zinc/77/57/52/945775752.db2.gz UYOATVNMJPIEFV-QGZVFWFLSA-N -1 1 386.460 1.266 20 0 GDADMM CC1(C)CC[C@H](C(=O)N2CCO[C@H](CNc3nccnc3-c3nnn[n-]3)C2)C1 ZINC001571279375 945777555 /nfs/dbraw/zinc/77/75/55/945777555.db2.gz VYJQMAPUZLYNGG-QWHCGFSZSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CC[C@H](C(=O)N2CCO[C@H](CNc3nccnc3-c3nn[n-]n3)C2)C1 ZINC001571279375 945777557 /nfs/dbraw/zinc/77/75/57/945777557.db2.gz VYJQMAPUZLYNGG-QWHCGFSZSA-N -1 1 386.460 1.122 20 0 GDADMM COCCN(CCCc1ccccc1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821690043 945817167 /nfs/dbraw/zinc/81/71/67/945817167.db2.gz WXKKVKYHEHTQCG-UHFFFAOYSA-N -1 1 384.444 1.713 20 0 GDADMM COCCN(CCCc1ccccc1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821690043 945817180 /nfs/dbraw/zinc/81/71/80/945817180.db2.gz WXKKVKYHEHTQCG-UHFFFAOYSA-N -1 1 384.444 1.713 20 0 GDADMM COc1ccc(CN2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)cn1 ZINC000821794869 945867854 /nfs/dbraw/zinc/86/78/54/945867854.db2.gz ORVDPNCLQIWONT-UHFFFAOYSA-N -1 1 382.428 1.458 20 0 GDADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)C1([C@H]2CCCCO2)CCOCC1 ZINC001571283023 945873712 /nfs/dbraw/zinc/87/37/12/945873712.db2.gz YBBXYXCKRIOCRX-GFCCVEGCSA-N -1 1 387.444 1.772 20 0 GDADMM CN(C(=O)c1cc(Cl)cn1C)C1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571283414 945883881 /nfs/dbraw/zinc/88/38/81/945883881.db2.gz FKTAXLRIDMKQFQ-UHFFFAOYSA-N -1 1 387.835 1.364 20 0 GDADMM CN(C(=O)c1cc(Cl)cn1C)C1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571283414 945883893 /nfs/dbraw/zinc/88/38/93/945883893.db2.gz FKTAXLRIDMKQFQ-UHFFFAOYSA-N -1 1 387.835 1.364 20 0 GDADMM C[C@@H]1CN(C(=O)c2cc(Cl)c[nH]2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571284614 945903333 /nfs/dbraw/zinc/90/33/33/945903333.db2.gz RQAVFBJMAIOZEO-NXEZZACHSA-N -1 1 387.835 1.458 20 0 GDADMM C[C@@H]1CN(C(=O)c2cc(Cl)c[nH]2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571284614 945903345 /nfs/dbraw/zinc/90/33/45/945903345.db2.gz RQAVFBJMAIOZEO-NXEZZACHSA-N -1 1 387.835 1.458 20 0 GDADMM O=C(NCc1cc(F)c(-c2nnn[n-]2)c(F)c1)c1coc2c1C(=O)NCCC2 ZINC001571285299 945913770 /nfs/dbraw/zinc/91/37/70/945913770.db2.gz AFDYTGMQAPFVNV-UHFFFAOYSA-N -1 1 388.334 1.344 20 0 GDADMM O=C(NCc1cc(F)c(-c2nn[n-]n2)c(F)c1)c1coc2c1C(=O)NCCC2 ZINC001571285299 945913777 /nfs/dbraw/zinc/91/37/77/945913777.db2.gz AFDYTGMQAPFVNV-UHFFFAOYSA-N -1 1 388.334 1.344 20 0 GDADMM Cc1nsc(N[C@@H]2C[C@@H](C)N(C(=O)c3ccncc3F)C2)c1-c1nn[n-]n1 ZINC001571286176 945940013 /nfs/dbraw/zinc/94/00/13/945940013.db2.gz AEDMECBIAOCWOG-PSASIEDQSA-N -1 1 388.432 1.881 20 0 GDADMM O=C(N[C@H]1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)c1sccc1F ZINC001571286752 945958150 /nfs/dbraw/zinc/95/81/50/945958150.db2.gz QRGMLAVJORNKOI-ZJUUUORDSA-N -1 1 388.432 1.868 20 0 GDADMM O=C(N[C@H]1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)c1sccc1F ZINC001571286752 945958159 /nfs/dbraw/zinc/95/81/59/945958159.db2.gz QRGMLAVJORNKOI-ZJUUUORDSA-N -1 1 388.432 1.868 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2ccc(F)s2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571286821 945959398 /nfs/dbraw/zinc/95/93/98/945959398.db2.gz SNBSQAJILXBMPK-UWVGGRQHSA-N -1 1 388.432 1.645 20 0 GDADMM Cc1nsc(N[C@@H]2CCN(C(=O)c3cncc(F)c3)[C@H]2C)c1-c1nn[n-]n1 ZINC001571286993 945965748 /nfs/dbraw/zinc/96/57/48/945965748.db2.gz XPMZJTRNGXZOQF-JOYOIKCWSA-N -1 1 388.432 1.881 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)c1sccc1F)c1ccnc(-c2nn[n-]n2)n1 ZINC001571287073 945969076 /nfs/dbraw/zinc/96/90/76/945969076.db2.gz ZTLMCQWDUAJLGX-SNVBAGLBSA-N -1 1 388.432 1.598 20 0 GDADMM Cc1nc(C(=O)N2CCC[C@@H]2CN(C)c2snc(C)c2-c2nn[n-]n2)co1 ZINC001571289464 946007698 /nfs/dbraw/zinc/00/76/98/946007698.db2.gz FHDJLBREYVTJAV-LLVKDONJSA-N -1 1 388.457 1.669 20 0 GDADMM O=C(NC[C@H]1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C1CCC(F)CC1 ZINC001571289737 946018833 /nfs/dbraw/zinc/01/88/33/946018833.db2.gz LKRNEEYATSOZGL-GFJIZPEISA-N -1 1 388.451 1.882 20 0 GDADMM O=C(NC[C@H]1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C1CCC(F)CC1 ZINC001571289737 946018841 /nfs/dbraw/zinc/01/88/41/946018841.db2.gz LKRNEEYATSOZGL-GFJIZPEISA-N -1 1 388.451 1.882 20 0 GDADMM O=C([C@H](F)CC1CCCCC1)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571289816 946021363 /nfs/dbraw/zinc/02/13/63/946021363.db2.gz NBAJDGJNUJBPBD-CQSZACIVSA-N -1 1 388.451 1.614 20 0 GDADMM O=C([C@H](F)CC1CCCCC1)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571289816 946021372 /nfs/dbraw/zinc/02/13/72/946021372.db2.gz NBAJDGJNUJBPBD-CQSZACIVSA-N -1 1 388.451 1.614 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccoc2Cl)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571290610 946049065 /nfs/dbraw/zinc/04/90/65/946049065.db2.gz KDXXSYNJFNDDFI-NXEZZACHSA-N -1 1 388.819 1.723 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccoc2Cl)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571290610 946049078 /nfs/dbraw/zinc/04/90/78/946049078.db2.gz KDXXSYNJFNDDFI-NXEZZACHSA-N -1 1 388.819 1.723 20 0 GDADMM O=C(N[C@@H]1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1)c1occc1Cl ZINC001571290801 946057532 /nfs/dbraw/zinc/05/75/32/946057532.db2.gz PQJJFZQXGGIWFN-GXSJLCMTSA-N -1 1 388.819 1.914 20 0 GDADMM O=C(N[C@@H]1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1)c1occc1Cl ZINC001571290801 946057546 /nfs/dbraw/zinc/05/75/46/946057546.db2.gz PQJJFZQXGGIWFN-GXSJLCMTSA-N -1 1 388.819 1.914 20 0 GDADMM COc1ncc(NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1-c1nn[n-]n1 ZINC001571291252 946073145 /nfs/dbraw/zinc/07/31/45/946073145.db2.gz HLTVITPTTRBMOM-LBPRGKRZSA-N -1 1 389.416 1.608 20 0 GDADMM Cc1nsc(N[C@H](C)[C@H]2CCCCN2C(=O)c2cnon2)c1-c1nn[n-]n1 ZINC001571293379 946104069 /nfs/dbraw/zinc/10/40/69/946104069.db2.gz GRBWMZPKUKAWJF-LDYMZIIASA-N -1 1 389.445 1.510 20 0 GDADMM Cc1nsc(N2CCC[C@H]2CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c1-c1nn[n-]n1 ZINC001571294179 946127059 /nfs/dbraw/zinc/12/70/59/946127059.db2.gz CHRUVXRPYCDSMU-LOWDOPEQSA-N -1 1 389.485 1.284 20 0 GDADMM Cc1nsc(NC2CCC(NC(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2)c1-c1nn[n-]n1 ZINC001571295605 946168471 /nfs/dbraw/zinc/16/84/71/946168471.db2.gz YZHOWGHSIHTWFY-SGQZKWBFSA-N -1 1 389.485 1.363 20 0 GDADMM O=C(N[C@H]1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C1(F)CCOCC1 ZINC001571296174 946186945 /nfs/dbraw/zinc/18/69/45/946186945.db2.gz PRIXMEQVNSSBOT-NEPJUHHUSA-N -1 1 390.423 1.015 20 0 GDADMM O=C(N[C@H]1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C1(F)CCOCC1 ZINC001571296174 946186951 /nfs/dbraw/zinc/18/69/51/946186951.db2.gz PRIXMEQVNSSBOT-NEPJUHHUSA-N -1 1 390.423 1.015 20 0 GDADMM Cc1cc(OCC(=O)N2CC[C@@H](Nc3snc(C)c3-c3nn[n-]n3)C2)no1 ZINC001571296477 946197705 /nfs/dbraw/zinc/19/77/05/946197705.db2.gz YZFQCPSXLZZVHC-SNVBAGLBSA-N -1 1 390.429 1.020 20 0 GDADMM C[C@H]1C[C@@H]1C(=O)NC[C@@H]1Cc2ccccc2CN1c1cncc(-c2nnn[n-]2)n1 ZINC001571298402 946217025 /nfs/dbraw/zinc/21/70/25/946217025.db2.gz GDWOGUQKXKCWND-RCBQFDQVSA-N -1 1 390.451 1.360 20 0 GDADMM C[C@H]1C[C@@H]1C(=O)NC[C@@H]1Cc2ccccc2CN1c1cncc(-c2nn[n-]n2)n1 ZINC001571298402 946217035 /nfs/dbraw/zinc/21/70/35/946217035.db2.gz GDWOGUQKXKCWND-RCBQFDQVSA-N -1 1 390.451 1.360 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2c3ccccc3C[C@H]2NC(=O)[C@H]2C[C@@H]2C)n1 ZINC001571298695 946223549 /nfs/dbraw/zinc/22/35/49/946223549.db2.gz JPOZSKJVPALXRR-ZQWVLENNSA-N -1 1 390.451 1.815 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2c3ccccc3C[C@H]2NC(=O)[C@H]2C[C@@H]2C)n1 ZINC001571298695 946223561 /nfs/dbraw/zinc/22/35/61/946223561.db2.gz JPOZSKJVPALXRR-ZQWVLENNSA-N -1 1 390.451 1.815 20 0 GDADMM COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000325428344 971215017 /nfs/dbraw/zinc/21/50/17/971215017.db2.gz YUPMEIQSDXDCEF-GXSJLCMTSA-N -1 1 376.862 1.808 20 0 GDADMM CC(=O)N[C@@H](CC(=O)Nc1c[nH]nc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC001573487465 946254632 /nfs/dbraw/zinc/25/46/32/946254632.db2.gz OOTKFJADPHAQAV-NSHDSACASA-N -1 1 376.327 1.074 20 0 GDADMM Cc1cccc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2cnc(-c3nnn[n-]3)cn2)c1 ZINC001571299999 946269975 /nfs/dbraw/zinc/26/99/75/946269975.db2.gz XTOFQPOSPSJAPX-MQVJKMGUSA-N -1 1 390.451 1.895 20 0 GDADMM Cc1cccc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2cnc(-c3nn[n-]n3)cn2)c1 ZINC001571299999 946269986 /nfs/dbraw/zinc/26/99/86/946269986.db2.gz XTOFQPOSPSJAPX-MQVJKMGUSA-N -1 1 390.451 1.895 20 0 GDADMM Cc1ccccc1C(=O)N[C@]12CCC[C@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001571300028 946270188 /nfs/dbraw/zinc/27/01/88/946270188.db2.gz YFSMGJYNKIFMKA-UZLBHIALSA-N -1 1 390.451 1.897 20 0 GDADMM Cc1ccccc1C(=O)N[C@]12CCC[C@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001571300028 946270198 /nfs/dbraw/zinc/27/01/98/946270198.db2.gz YFSMGJYNKIFMKA-UZLBHIALSA-N -1 1 390.451 1.897 20 0 GDADMM O=C(c1ccccn1)N1CC[C@@H](CNc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571300207 946274553 /nfs/dbraw/zinc/27/45/53/946274553.db2.gz WWHQJBOHXWNOCH-VIFPVBQESA-N -1 1 390.860 1.946 20 0 GDADMM O=C(c1ccccn1)N1CC[C@@H](CNc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571300207 946274563 /nfs/dbraw/zinc/27/45/63/946274563.db2.gz WWHQJBOHXWNOCH-VIFPVBQESA-N -1 1 390.860 1.946 20 0 GDADMM Cc1ccncc1C(=O)N1CCC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571302574 946307461 /nfs/dbraw/zinc/30/74/61/946307461.db2.gz BTVJYIOZASEIRT-DZGCQCFKSA-N -1 1 391.439 1.101 20 0 GDADMM O=C([C@@H]1C[C@H]1c1ccncc1)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571303319 946330669 /nfs/dbraw/zinc/33/06/69/946330669.db2.gz OSEMGWQAMDXCJV-SOUVJXGZSA-N -1 1 391.439 1.258 20 0 GDADMM O=C([C@@H]1C[C@H]1c1ccncc1)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571303319 946330680 /nfs/dbraw/zinc/33/06/80/946330680.db2.gz OSEMGWQAMDXCJV-SOUVJXGZSA-N -1 1 391.439 1.258 20 0 GDADMM Cc1cnccc1C(=O)N1CCC[C@H]2[C@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001571303300 946331161 /nfs/dbraw/zinc/33/11/61/946331161.db2.gz OFZFKVXMFFWYCL-JKSUJKDBSA-N -1 1 391.439 1.244 20 0 GDADMM Cc1cnccc1C(=O)N1CCC[C@H]2[C@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001571303300 946331170 /nfs/dbraw/zinc/33/11/70/946331170.db2.gz OFZFKVXMFFWYCL-JKSUJKDBSA-N -1 1 391.439 1.244 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(c2nccnc2-c2nnn[n-]2)C3)cn1 ZINC001571303606 946342735 /nfs/dbraw/zinc/34/27/35/946342735.db2.gz UGTKVILXOVKEOY-QEJZJMRPSA-N -1 1 391.439 1.147 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(c2nccnc2-c2nn[n-]n2)C3)cn1 ZINC001571303606 946342744 /nfs/dbraw/zinc/34/27/44/946342744.db2.gz UGTKVILXOVKEOY-QEJZJMRPSA-N -1 1 391.439 1.147 20 0 GDADMM O=C(c1ccccn1)N1CCC[C@H]2CN(c3nccnc3-c3nnn[n-]3)CC[C@H]21 ZINC001571303739 946346668 /nfs/dbraw/zinc/34/66/68/946346668.db2.gz WYNAITWLBNKPDP-DZGCQCFKSA-N -1 1 391.439 1.183 20 0 GDADMM O=C(c1ccccn1)N1CCC[C@H]2CN(c3nccnc3-c3nn[n-]n3)CC[C@H]21 ZINC001571303739 946346680 /nfs/dbraw/zinc/34/66/80/946346680.db2.gz WYNAITWLBNKPDP-DZGCQCFKSA-N -1 1 391.439 1.183 20 0 GDADMM Cc1nsc(N2CC[C@@H](NC(=O)C3CCOCC3)C[C@@H]2C)c1-c1nn[n-]n1 ZINC001571305456 946363560 /nfs/dbraw/zinc/36/35/60/946363560.db2.gz BSIZDCICMCBMGF-GXFFZTMASA-N -1 1 391.501 1.532 20 0 GDADMM Cc1nsc(NC[C@H]2CCCN2C(=O)C[C@@H]2CCCOC2)c1-c1nn[n-]n1 ZINC001571305857 946379624 /nfs/dbraw/zinc/37/96/24/946379624.db2.gz MANCLLAHTVLWPP-QWHCGFSZSA-N -1 1 391.501 1.851 20 0 GDADMM Cc1nsc(NC[C@@H]2CCN(C(=O)CC[C@@H]3CCOC3)C2)c1-c1nn[n-]n1 ZINC001571306075 946387889 /nfs/dbraw/zinc/38/78/89/946387889.db2.gz PCLCENHIKRWSRY-OLZOCXBDSA-N -1 1 391.501 1.709 20 0 GDADMM Cc1nsc(N2CCC(CNC(=O)[C@H]3CCO[C@H]3C)CC2)c1-c1nn[n-]n1 ZINC001571306539 946401863 /nfs/dbraw/zinc/40/18/63/946401863.db2.gz WYNISPPHIWQTSE-AAEUAGOBSA-N -1 1 391.501 1.389 20 0 GDADMM Cc1nsc(N2CCCN(C(=O)C3CCC(O)CC3)CC2)c1-c1nn[n-]n1 ZINC001571306594 946403918 /nfs/dbraw/zinc/40/39/18/946403918.db2.gz YIBSIEDVQDBZTE-UHFFFAOYSA-N -1 1 391.501 1.221 20 0 GDADMM CC[C@H](OC)C(=O)N1CCC[C@H]2CN(c3snc(C)c3-c3nn[n-]n3)C[C@H]21 ZINC001571306703 946406530 /nfs/dbraw/zinc/40/65/30/946406530.db2.gz ZUPPGLMTNPHHNU-XQQFMLRXSA-N -1 1 391.501 1.484 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)C2(C)CC(F)(F)C2)C1)c1nccnc1-c1nnn[n-]1 ZINC001571307583 946425401 /nfs/dbraw/zinc/42/54/01/946425401.db2.gz FNTPVWYYICUCEJ-NSHDSACASA-N -1 1 392.414 1.377 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)C2(C)CC(F)(F)C2)C1)c1nccnc1-c1nn[n-]n1 ZINC001571307583 946425403 /nfs/dbraw/zinc/42/54/03/946425403.db2.gz FNTPVWYYICUCEJ-NSHDSACASA-N -1 1 392.414 1.377 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCCN2C(=O)[C@H]2CCC(F)(F)C2)n1 ZINC001571308525 946432850 /nfs/dbraw/zinc/43/28/50/946432850.db2.gz PZLCQGUOOQXKPB-NWDGAFQWSA-N -1 1 392.414 1.803 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCCN2C(=O)[C@H]2CCC(F)(F)C2)n1 ZINC001571308525 946432860 /nfs/dbraw/zinc/43/28/60/946432860.db2.gz PZLCQGUOOQXKPB-NWDGAFQWSA-N -1 1 392.414 1.803 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCC[C@H]2NC(=O)C2CC(F)(F)C2)n1 ZINC001571308727 946436088 /nfs/dbraw/zinc/43/60/88/946436088.db2.gz SMWVVKRLDLETFF-VXGBXAGGSA-N -1 1 392.414 1.850 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCC[C@H]2NC(=O)C2CC(F)(F)C2)n1 ZINC001571308727 946436095 /nfs/dbraw/zinc/43/60/95/946436095.db2.gz SMWVVKRLDLETFF-VXGBXAGGSA-N -1 1 392.414 1.850 20 0 GDADMM CN(C[C@H]1CCN(C(=O)CC2CC(F)(F)C2)C1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571309438 946444692 /nfs/dbraw/zinc/44/46/92/946444692.db2.gz ZZTNNCUCRUDYFW-LLVKDONJSA-N -1 1 392.414 1.377 20 0 GDADMM CN(C[C@H]1CCN(C(=O)CC2CC(F)(F)C2)C1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571309438 946444698 /nfs/dbraw/zinc/44/46/98/946444698.db2.gz ZZTNNCUCRUDYFW-LLVKDONJSA-N -1 1 392.414 1.377 20 0 GDADMM O=C(C[C@@H]1CCCC1(F)F)N1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571309559 946447055 /nfs/dbraw/zinc/44/70/55/946447055.db2.gz DFDAXYUXUFXLCO-RYUDHWBXSA-N -1 1 392.414 1.743 20 0 GDADMM O=C(C[C@@H]1CCCC1(F)F)N1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571309559 946447061 /nfs/dbraw/zinc/44/70/61/946447061.db2.gz DFDAXYUXUFXLCO-RYUDHWBXSA-N -1 1 392.414 1.743 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2ccc(-c3nn[nH]n3)cn2)C12CCC2)c1ncccc1[O-] ZINC001571309697 946451661 /nfs/dbraw/zinc/45/16/61/946451661.db2.gz IBFUJNQNJFJMHR-KBPBESRZSA-N -1 1 392.423 1.515 20 0 GDADMM O=C(C[C@H]1CCCC1(F)F)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571309970 946459593 /nfs/dbraw/zinc/45/95/93/946459593.db2.gz QUKYXIDBYOUFBU-VXGBXAGGSA-N -1 1 392.414 1.567 20 0 GDADMM O=C(c1ccc2c(c1)COC2)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571312851 946502956 /nfs/dbraw/zinc/50/29/56/946502956.db2.gz LERJENGUUBMPFD-HNNXBMFYSA-N -1 1 392.423 1.404 20 0 GDADMM O=C(c1ccc2c(c1)COC2)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571312851 946502961 /nfs/dbraw/zinc/50/29/61/946502961.db2.gz LERJENGUUBMPFD-HNNXBMFYSA-N -1 1 392.423 1.404 20 0 GDADMM CN(C[C@@H]1CCCN1C(=O)CCc1ccccc1)c1nccnc1-c1nnn[n-]1 ZINC001571312838 946503502 /nfs/dbraw/zinc/50/35/02/946503502.db2.gz DNYBRWGCGRTLAN-INIZCTEOSA-N -1 1 392.467 1.717 20 0 GDADMM CN(C[C@@H]1CCCN1C(=O)CCc1ccccc1)c1nccnc1-c1nn[n-]n1 ZINC001571312838 946503515 /nfs/dbraw/zinc/50/35/15/946503515.db2.gz DNYBRWGCGRTLAN-INIZCTEOSA-N -1 1 392.467 1.717 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1)c1ccccc1 ZINC001571313052 946510882 /nfs/dbraw/zinc/51/08/82/946510882.db2.gz IVMLFISJGUSTBG-IIAWOOMASA-N -1 1 392.467 1.389 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@](C)(NC(=O)c3ccc(C)cc3)C2)n1 ZINC001571313236 946514947 /nfs/dbraw/zinc/51/49/47/946514947.db2.gz KTXLGAJERTXBFU-HXUWFJFHSA-N -1 1 392.467 1.926 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@](C)(NC(=O)c3ccc(C)cc3)C2)n1 ZINC001571313236 946514963 /nfs/dbraw/zinc/51/49/63/946514963.db2.gz KTXLGAJERTXBFU-HXUWFJFHSA-N -1 1 392.467 1.926 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H]2CNC(=O)c2ccc(C)c(C)c2)n1 ZINC001571314917 946545580 /nfs/dbraw/zinc/54/55/80/946545580.db2.gz DNTJKEOMLANYBM-INIZCTEOSA-N -1 1 392.467 1.981 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H]2CNC(=O)c2ccc(C)c(C)c2)n1 ZINC001571314917 946545593 /nfs/dbraw/zinc/54/55/93/946545593.db2.gz DNTJKEOMLANYBM-INIZCTEOSA-N -1 1 392.467 1.981 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H](CN(C)c3cncc(-c4nnn[n-]4)n3)C2)c(C)c1 ZINC001571314943 946548762 /nfs/dbraw/zinc/54/87/62/946548762.db2.gz DXXGMXVFCQGAHZ-HNNXBMFYSA-N -1 1 392.467 1.872 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H](CN(C)c3cncc(-c4nn[n-]n4)n3)C2)c(C)c1 ZINC001571314943 946548774 /nfs/dbraw/zinc/54/87/74/946548774.db2.gz DXXGMXVFCQGAHZ-HNNXBMFYSA-N -1 1 392.467 1.872 20 0 GDADMM Cc1ccc(C(=O)N2CCC(CNc3ccnc(-c4nn[n-]n4)n3)CC2)cc1C ZINC001571315810 946557879 /nfs/dbraw/zinc/55/78/79/946557879.db2.gz OQOIUDVNTXEURU-UHFFFAOYSA-N -1 1 392.467 1.660 20 0 GDADMM Cc1ccc(C)c(CC(=O)N2CCC[C@H]2CNc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001571316230 946569022 /nfs/dbraw/zinc/56/90/22/946569022.db2.gz WXXXXEDEBXJTSD-INIZCTEOSA-N -1 1 392.467 1.919 20 0 GDADMM Cc1ccc(C)c(CC(=O)N2CCC[C@H]2CNc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001571316230 946569030 /nfs/dbraw/zinc/56/90/30/946569030.db2.gz WXXXXEDEBXJTSD-INIZCTEOSA-N -1 1 392.467 1.919 20 0 GDADMM Cc1cc(C)c(C(=O)NC[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)c(C)c1 ZINC001571316212 946569327 /nfs/dbraw/zinc/56/93/27/946569327.db2.gz WFUOOKZLZRLEAD-OAHLLOKOSA-N -1 1 392.467 1.838 20 0 GDADMM Cc1cc(C)c(C(=O)NC[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)c(C)c1 ZINC001571316212 946569336 /nfs/dbraw/zinc/56/93/36/946569336.db2.gz WFUOOKZLZRLEAD-OAHLLOKOSA-N -1 1 392.467 1.838 20 0 GDADMM Cc1cccc([C@H](C)C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571316181 946569562 /nfs/dbraw/zinc/56/95/62/946569562.db2.gz VPLTZKPUYWEURW-HOCLYGCPSA-N -1 1 392.467 1.854 20 0 GDADMM Cc1cccc([C@H](C)C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571316181 946569577 /nfs/dbraw/zinc/56/95/77/946569577.db2.gz VPLTZKPUYWEURW-HOCLYGCPSA-N -1 1 392.467 1.854 20 0 GDADMM Cc1cc(C)c(CC(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)c(C)c1 ZINC001571316322 946574264 /nfs/dbraw/zinc/57/42/64/946574264.db2.gz ZQGABLVLUWKQFF-OAHLLOKOSA-N -1 1 392.467 1.520 20 0 GDADMM Cc1cc(C)c(CC(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)c(C)c1 ZINC001571316322 946574274 /nfs/dbraw/zinc/57/42/74/946574274.db2.gz ZQGABLVLUWKQFF-OAHLLOKOSA-N -1 1 392.467 1.520 20 0 GDADMM O=C(Cc1ccccc1)N[C@@H]1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571316570 946581303 /nfs/dbraw/zinc/58/13/03/946581303.db2.gz GULZPJUJCMDOJH-HZPDHXFCSA-N -1 1 392.467 1.986 20 0 GDADMM O=C(Cc1ccccc1)N[C@@H]1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571316570 946581312 /nfs/dbraw/zinc/58/13/12/946581312.db2.gz GULZPJUJCMDOJH-HZPDHXFCSA-N -1 1 392.467 1.986 20 0 GDADMM Cc1cccc(CC(=O)N[C@@H]2CCCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)c1 ZINC001571317190 946602441 /nfs/dbraw/zinc/60/24/41/946602441.db2.gz XSPVNCYGAHLTLH-MRXNPFEDSA-N -1 1 392.467 1.601 20 0 GDADMM Cc1cccc(CC(=O)N[C@@H]2CCCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)c1 ZINC001571317190 946602446 /nfs/dbraw/zinc/60/24/46/946602446.db2.gz XSPVNCYGAHLTLH-MRXNPFEDSA-N -1 1 392.467 1.601 20 0 GDADMM Cc1ccccc1C(=O)N1CCC[C@H](CN(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571317229 946604509 /nfs/dbraw/zinc/60/45/09/946604509.db2.gz YNBDHXSFEZYREV-OAHLLOKOSA-N -1 1 392.467 1.954 20 0 GDADMM Cc1ccccc1C(=O)N1CCC[C@H](CN(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571317229 946604514 /nfs/dbraw/zinc/60/45/14/946604514.db2.gz YNBDHXSFEZYREV-OAHLLOKOSA-N -1 1 392.467 1.954 20 0 GDADMM CN(C[C@H]1CCN(C(=O)c2ccc[nH]2)C1)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001571317585 946613970 /nfs/dbraw/zinc/61/39/70/946613970.db2.gz NPPYIFNCJIGVBR-SECBINFHSA-N -1 1 392.876 1.903 20 0 GDADMM CN(C[C@H]1CCN(C(=O)c2ccc[nH]2)C1)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001571317585 946613976 /nfs/dbraw/zinc/61/39/76/946613976.db2.gz NPPYIFNCJIGVBR-SECBINFHSA-N -1 1 392.876 1.903 20 0 GDADMM O=C(Cc1ccc[nH]1)N1CCC[C@@H]1CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001571317922 946623743 /nfs/dbraw/zinc/62/37/43/946623743.db2.gz YQYNJCQIJOQUOI-SNVBAGLBSA-N -1 1 392.876 1.950 20 0 GDADMM O=C(Cc1ccc[nH]1)N1CCC[C@@H]1CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001571317922 946623753 /nfs/dbraw/zinc/62/37/53/946623753.db2.gz YQYNJCQIJOQUOI-SNVBAGLBSA-N -1 1 392.876 1.950 20 0 GDADMM Brc1cnc([C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)nc1 ZINC001573280756 946667746 /nfs/dbraw/zinc/66/77/46/946667746.db2.gz ZQNDDPPQHXMYKR-SECBINFHSA-N -1 1 388.233 1.593 20 0 GDADMM Brc1cnc([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)nc1 ZINC001573280756 946667753 /nfs/dbraw/zinc/66/77/53/946667753.db2.gz ZQNDDPPQHXMYKR-SECBINFHSA-N -1 1 388.233 1.593 20 0 GDADMM CC(=O)[C@@H]1C[C@H](C(=O)Nc2c(C)c(-c3nnn[n-]3)nn2-c2cccnc2)C1(C)C ZINC001573553655 946892128 /nfs/dbraw/zinc/89/21/28/946892128.db2.gz ZBOSZSXAHXJDCV-UONOGXRCSA-N -1 1 394.439 1.946 20 0 GDADMM CC(=O)[C@@H]1C[C@H](C(=O)Nc2c(C)c(-c3nn[n-]n3)nn2-c2cccnc2)C1(C)C ZINC001573553655 946892134 /nfs/dbraw/zinc/89/21/34/946892134.db2.gz ZBOSZSXAHXJDCV-UONOGXRCSA-N -1 1 394.439 1.946 20 0 GDADMM CC(=O)c1ccc2c(c1)CN(S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)C2 ZINC001573555155 946903856 /nfs/dbraw/zinc/90/38/56/946903856.db2.gz DDZRXGBSTMOORL-UHFFFAOYSA-N -1 1 387.396 1.913 20 0 GDADMM CC(=O)c1ccc2c(c1)CN(S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)C2 ZINC001573555155 946903865 /nfs/dbraw/zinc/90/38/65/946903865.db2.gz DDZRXGBSTMOORL-UHFFFAOYSA-N -1 1 387.396 1.913 20 0 GDADMM CCC(CC)C(=O)N1CCC(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)CC1 ZINC000825095147 947074491 /nfs/dbraw/zinc/07/44/91/947074491.db2.gz FBHIEKXMRJEAJB-UHFFFAOYSA-N -1 1 389.460 1.249 20 0 GDADMM CCC(CC)C(=O)N1CCC(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)CC1 ZINC000825095147 947074504 /nfs/dbraw/zinc/07/45/04/947074504.db2.gz FBHIEKXMRJEAJB-UHFFFAOYSA-N -1 1 389.460 1.249 20 0 GDADMM CCCc1csc(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)n1 ZINC000825353290 947163972 /nfs/dbraw/zinc/16/39/72/947163972.db2.gz UIPNURMHUSLWDK-UHFFFAOYSA-N -1 1 376.450 1.335 20 0 GDADMM CCCc1csc(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)n1 ZINC000825353290 947163982 /nfs/dbraw/zinc/16/39/82/947163982.db2.gz UIPNURMHUSLWDK-UHFFFAOYSA-N -1 1 376.450 1.335 20 0 GDADMM CCOC(=O)c1cnn(Cc2nnc(-c3cccc(F)c3)o2)c1-c1nn[n-]n1 ZINC000825571006 947234532 /nfs/dbraw/zinc/23/45/32/947234532.db2.gz RYDVVNUOYAJNEV-UHFFFAOYSA-N -1 1 384.331 1.477 20 0 GDADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1ccc(-c2nnn[n-]2)nn1)C(C)(F)F ZINC001573591801 947318819 /nfs/dbraw/zinc/31/88/19/947318819.db2.gz FRQFYTLRRALMPD-JTQLQIEISA-N -1 1 382.419 1.845 20 0 GDADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1ccc(-c2nn[n-]n2)nn1)C(C)(F)F ZINC001573591801 947318832 /nfs/dbraw/zinc/31/88/32/947318832.db2.gz FRQFYTLRRALMPD-JTQLQIEISA-N -1 1 382.419 1.845 20 0 GDADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1ccc(-c2nnn[n-]2)nn1)C(F)(F)F ZINC001573592955 947357004 /nfs/dbraw/zinc/35/70/04/947357004.db2.gz OQTMGAQZBFJRMF-SECBINFHSA-N -1 1 386.382 1.752 20 0 GDADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1ccc(-c2nn[n-]n2)nn1)C(F)(F)F ZINC001573592955 947357016 /nfs/dbraw/zinc/35/70/16/947357016.db2.gz OQTMGAQZBFJRMF-SECBINFHSA-N -1 1 386.382 1.752 20 0 GDADMM C[C@H](C(=O)N(C)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C1CCCC1 ZINC001573593129 947362201 /nfs/dbraw/zinc/36/22/01/947362201.db2.gz QIWVUDIUNGVYRT-ZDUSSCGKSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](C(=O)N(C)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C1CCCC1 ZINC001573593211 947364892 /nfs/dbraw/zinc/36/48/92/947364892.db2.gz ROLKMOXUNLTEMG-ZDUSSCGKSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](C(=O)N(C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C1CCCC1 ZINC001573593211 947364910 /nfs/dbraw/zinc/36/49/10/947364910.db2.gz ROLKMOXUNLTEMG-ZDUSSCGKSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](C(=O)N(C)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccsc1 ZINC001573593184 947365237 /nfs/dbraw/zinc/36/52/37/947365237.db2.gz REXROBMNMGUADO-DGCLKSJQSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@@H](C(=O)N(C)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccsc1 ZINC001573593184 947365244 /nfs/dbraw/zinc/36/52/44/947365244.db2.gz REXROBMNMGUADO-DGCLKSJQSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@@H](C(=O)N(C)C[C@H](O)CNc1snc(Cl)c1-c1nnn[n-]1)C1CC1 ZINC001573595117 947415551 /nfs/dbraw/zinc/41/55/51/947415551.db2.gz FPDGBOMOEXKTQY-VXNVDRBHSA-N -1 1 385.881 1.254 20 0 GDADMM C[C@@H](C(=O)N(C)C[C@H](O)CNc1snc(Cl)c1-c1nn[n-]n1)C1CC1 ZINC001573595117 947415555 /nfs/dbraw/zinc/41/55/55/947415555.db2.gz FPDGBOMOEXKTQY-VXNVDRBHSA-N -1 1 385.881 1.254 20 0 GDADMM CO[C@@H]1[C@H](C)[C@H](NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C1(C)C ZINC000826144255 947450928 /nfs/dbraw/zinc/45/09/28/947450928.db2.gz FPMTYSPXTCWADS-HPEXNQPKSA-N -1 1 388.472 1.692 20 0 GDADMM C[C@@H](C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1)c1ccc(Cl)cc1 ZINC001573604487 947511480 /nfs/dbraw/zinc/51/14/80/947511480.db2.gz NUHPAVNYUUBRJZ-LLVKDONJSA-N -1 1 386.847 1.984 20 0 GDADMM C[C@@H](C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1)c1ccc(Cl)cc1 ZINC001573604487 947511493 /nfs/dbraw/zinc/51/14/93/947511493.db2.gz NUHPAVNYUUBRJZ-LLVKDONJSA-N -1 1 386.847 1.984 20 0 GDADMM C[C@@H](C(=O)N(C)CCNc1nc(Cl)c(-c2nnn[n-]2)s1)[C@H]1CCCO1 ZINC001573604762 947518669 /nfs/dbraw/zinc/51/86/69/947518669.db2.gz RDXNVJRBXYVIMI-RKDXNWHRSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](C(=O)N(C)CCNc1nc(Cl)c(-c2nn[n-]n2)s1)[C@H]1CCCO1 ZINC001573604762 947518679 /nfs/dbraw/zinc/51/86/79/947518679.db2.gz RDXNVJRBXYVIMI-RKDXNWHRSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001573613636 947566692 /nfs/dbraw/zinc/56/66/92/947566692.db2.gz FLAUMHJCZCTECG-LPEHRKFASA-N -1 1 382.350 1.035 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573613636 947566698 /nfs/dbraw/zinc/56/66/98/947566698.db2.gz FLAUMHJCZCTECG-LPEHRKFASA-N -1 1 382.350 1.035 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CN(C)c2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001573614795 947593089 /nfs/dbraw/zinc/59/30/89/947593089.db2.gz HIWWHXQOOCOZEN-UONOGXRCSA-N -1 1 381.444 1.004 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CN(C)c2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001573614795 947593096 /nfs/dbraw/zinc/59/30/96/947593096.db2.gz HIWWHXQOOCOZEN-UONOGXRCSA-N -1 1 381.444 1.004 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1)c1ccco1 ZINC001573616071 947617604 /nfs/dbraw/zinc/61/76/04/947617604.db2.gz UXRIPGBSZXJEMS-RWMBFGLXSA-N -1 1 380.412 1.233 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1)c1ccco1 ZINC001573616071 947617610 /nfs/dbraw/zinc/61/76/10/947617610.db2.gz UXRIPGBSZXJEMS-RWMBFGLXSA-N -1 1 380.412 1.233 20 0 GDADMM C[C@H](C(=O)N1CC[C@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001573616198 947618444 /nfs/dbraw/zinc/61/84/44/947618444.db2.gz VSCBDKKHKNUUBU-KPZWWZAWSA-N -1 1 382.428 1.126 20 0 GDADMM C[C@H](C(=O)N1CC[C@@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573616921 947629015 /nfs/dbraw/zinc/62/90/15/947629015.db2.gz ZGJTZLYRWXXHHH-DJJJIMSYSA-N -1 1 384.488 1.555 20 0 GDADMM C=Cc1ccc(C(=O)N[C@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)cc1 ZINC001573355053 947638358 /nfs/dbraw/zinc/63/83/58/947638358.db2.gz LJIVZBAIRUZTEB-HNNXBMFYSA-N -1 1 376.424 1.617 20 0 GDADMM C=Cc1ccc(C(=O)N[C@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573355053 947638363 /nfs/dbraw/zinc/63/83/63/947638363.db2.gz LJIVZBAIRUZTEB-HNNXBMFYSA-N -1 1 376.424 1.617 20 0 GDADMM C=Cc1ccc(C(=O)N[C@H]2CN(c3nccnc3-c3nnn[n-]3)CC2(C)C)cc1 ZINC001573354899 947638407 /nfs/dbraw/zinc/63/84/07/947638407.db2.gz JUMLTZMIUYDNMV-HNNXBMFYSA-N -1 1 390.451 1.945 20 0 GDADMM C=Cc1ccc(C(=O)N[C@H]2CN(c3nccnc3-c3nn[n-]n3)CC2(C)C)cc1 ZINC001573354899 947638409 /nfs/dbraw/zinc/63/84/09/947638409.db2.gz JUMLTZMIUYDNMV-HNNXBMFYSA-N -1 1 390.451 1.945 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1ccsc1 ZINC001573619212 947661564 /nfs/dbraw/zinc/66/15/64/947661564.db2.gz USZADKPBLPHSFO-VXGBXAGGSA-N -1 1 384.469 1.782 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1ccsc1 ZINC001573619212 947661572 /nfs/dbraw/zinc/66/15/72/947661572.db2.gz USZADKPBLPHSFO-VXGBXAGGSA-N -1 1 384.469 1.782 20 0 GDADMM C=Cc1ccc(C(=O)NCC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001573358604 947665655 /nfs/dbraw/zinc/66/56/55/947665655.db2.gz FYASNXHWIQCXPN-OAHLLOKOSA-N -1 1 390.451 1.946 20 0 GDADMM C=Cc1ccc(C(=O)NCC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001573358604 947665667 /nfs/dbraw/zinc/66/56/67/947665667.db2.gz FYASNXHWIQCXPN-OAHLLOKOSA-N -1 1 390.451 1.946 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C)cc1 ZINC001573358598 947666488 /nfs/dbraw/zinc/66/64/88/947666488.db2.gz FTXWGKKURFIYJV-MLGOLLRUSA-N -1 1 376.424 1.554 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C)cc1 ZINC001573358598 947666497 /nfs/dbraw/zinc/66/64/97/947666497.db2.gz FTXWGKKURFIYJV-MLGOLLRUSA-N -1 1 376.424 1.554 20 0 GDADMM CSCC[C@@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826228716 947670576 /nfs/dbraw/zinc/67/05/76/947670576.db2.gz YBZJSKKUWWVLDI-SECBINFHSA-N -1 1 380.478 1.015 20 0 GDADMM CSCC[C@@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826228716 947670584 /nfs/dbraw/zinc/67/05/84/947670584.db2.gz YBZJSKKUWWVLDI-SECBINFHSA-N -1 1 380.478 1.015 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@@H](CCO)c2cccs2)cc1-c1nn[n-]n1 ZINC000826229570 947671503 /nfs/dbraw/zinc/67/15/03/947671503.db2.gz JFPMFCLBYDGFBY-JTQLQIEISA-N -1 1 392.466 1.604 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCC[C@@H]1CCO[C@@H](C)C1 ZINC000826233135 947685440 /nfs/dbraw/zinc/68/54/40/947685440.db2.gz VFZCOVFCEJCWSW-SMDDNHRTSA-N -1 1 388.472 1.838 20 0 GDADMM Cc1c(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cnn1CC(C)C ZINC000826234004 947687830 /nfs/dbraw/zinc/68/78/30/947687830.db2.gz DBRMKIHTRUYTCW-UHFFFAOYSA-N -1 1 386.464 1.038 20 0 GDADMM Cc1c(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cnn1CC(C)C ZINC000826234004 947687837 /nfs/dbraw/zinc/68/78/37/947687837.db2.gz DBRMKIHTRUYTCW-UHFFFAOYSA-N -1 1 386.464 1.038 20 0 GDADMM C[C@H](C(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)c1ccsc1 ZINC001573623733 947689999 /nfs/dbraw/zinc/68/99/99/947689999.db2.gz HZUKMOVXLXVKJV-NSHDSACASA-N -1 1 384.469 1.347 20 0 GDADMM C[C@@H](C(=O)N1CCC2(C1)CCN(c1ccc(-c3nnn[n-]3)nn1)CC2)C1CC1 ZINC001573627584 947726174 /nfs/dbraw/zinc/72/61/74/947726174.db2.gz AUSAAANOEVWALS-CYBMUJFWSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H](C(=O)N1CCC2(C1)CCN(c1ccc(-c3nn[n-]n3)nn1)CC2)C1CC1 ZINC001573627584 947726179 /nfs/dbraw/zinc/72/61/79/947726179.db2.gz AUSAAANOEVWALS-CYBMUJFWSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H](C(=O)N1CC[C@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1)C(C)(C)C ZINC001573627553 947726696 /nfs/dbraw/zinc/72/66/96/947726696.db2.gz AFGZJOIOWYYOHB-YJYMSZOUSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](C(=O)N1CC[C@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1)C(C)(C)C ZINC001573627553 947726702 /nfs/dbraw/zinc/72/67/02/947726702.db2.gz AFGZJOIOWYYOHB-YJYMSZOUSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](CNc2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001573627538 947726897 /nfs/dbraw/zinc/72/68/97/947726897.db2.gz ACNUOPLSYXGEJZ-QWHCGFSZSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](CNc2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001573627538 947726908 /nfs/dbraw/zinc/72/69/08/947726908.db2.gz ACNUOPLSYXGEJZ-QWHCGFSZSA-N -1 1 382.428 1.704 20 0 GDADMM CC(=O)[C@H]([N-]S(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1)c1ccccc1F ZINC001573366468 947742178 /nfs/dbraw/zinc/74/21/78/947742178.db2.gz RCSUENOTPHDOQG-INIZCTEOSA-N -1 1 389.412 1.756 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](CN(C)c2cncc(-c3nnn[n-]3)n2)C1)C1CCC1 ZINC001573627995 947743847 /nfs/dbraw/zinc/74/38/47/947743847.db2.gz DQOLEJCXFIJMPQ-ZIAGYGMSSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](CN(C)c2cncc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573627995 947743856 /nfs/dbraw/zinc/74/38/56/947743856.db2.gz DQOLEJCXFIJMPQ-ZIAGYGMSSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)n1cccc1 ZINC001573628524 947757030 /nfs/dbraw/zinc/75/70/30/947757030.db2.gz MPEVUUNREBZEKZ-UONOGXRCSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)n1cccc1 ZINC001573628524 947757040 /nfs/dbraw/zinc/75/70/40/947757040.db2.gz MPEVUUNREBZEKZ-UONOGXRCSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]2[C@H]1CCN2c1ccnc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573628620 947759290 /nfs/dbraw/zinc/75/92/90/947759290.db2.gz NAIOEQXQJKNNOB-HZSPNIEDSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cccnc1 ZINC001573628608 947760388 /nfs/dbraw/zinc/76/03/88/947760388.db2.gz IZWJLEVXVJQNDX-OCCSQVGLSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573628608 947760394 /nfs/dbraw/zinc/76/03/94/947760394.db2.gz IZWJLEVXVJQNDX-OCCSQVGLSA-N -1 1 379.428 1.258 20 0 GDADMM Cc1onc(CC(=O)N[C@@H]2CCCN(c3ccc(F)cc3C)C2)c1-c1nnn[n-]1 ZINC000826268645 947774985 /nfs/dbraw/zinc/77/49/85/947774985.db2.gz HJJQKZCTGZBZGM-CQSZACIVSA-N -1 1 399.430 1.938 20 0 GDADMM Cc1onc(CC(=O)N[C@@H]2CCCN(c3ccc(F)cc3C)C2)c1-c1nn[n-]n1 ZINC000826268645 947774990 /nfs/dbraw/zinc/77/49/90/947774990.db2.gz HJJQKZCTGZBZGM-CQSZACIVSA-N -1 1 399.430 1.938 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001573372701 947783138 /nfs/dbraw/zinc/78/31/38/947783138.db2.gz CHHYQTREIHGJCO-CQSZACIVSA-N -1 1 386.460 1.233 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001573372701 947783149 /nfs/dbraw/zinc/78/31/49/947783149.db2.gz CHHYQTREIHGJCO-CQSZACIVSA-N -1 1 386.460 1.233 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@@H](CN(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573372940 947785815 /nfs/dbraw/zinc/78/58/15/947785815.db2.gz GEVAPUVKXFWMSA-AWEZNQCLSA-N -1 1 386.460 1.091 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@@H](CN(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573372940 947785825 /nfs/dbraw/zinc/78/58/25/947785825.db2.gz GEVAPUVKXFWMSA-AWEZNQCLSA-N -1 1 386.460 1.091 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@@H]1[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573372919 947785860 /nfs/dbraw/zinc/78/58/60/947785860.db2.gz GAXGMWMCQREHIX-DZGCQCFKSA-N -1 1 386.460 1.598 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@@H]1[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573372919 947785867 /nfs/dbraw/zinc/78/58/67/947785867.db2.gz GAXGMWMCQREHIX-DZGCQCFKSA-N -1 1 386.460 1.598 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C12CCC2 ZINC001573373138 947787725 /nfs/dbraw/zinc/78/77/25/947787725.db2.gz BBJWBNWBMYCGKS-KGLIPLIRSA-N -1 1 384.444 1.255 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C12CCC2 ZINC001573373138 947787732 /nfs/dbraw/zinc/78/77/32/947787732.db2.gz BBJWBNWBMYCGKS-KGLIPLIRSA-N -1 1 384.444 1.255 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1)c1cccnc1 ZINC001573630263 947789908 /nfs/dbraw/zinc/78/99/08/947789908.db2.gz XECFIOTZKDRKQZ-TZMCWYRMSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1)c1cccnc1 ZINC001573630263 947789914 /nfs/dbraw/zinc/78/99/14/947789914.db2.gz XECFIOTZKDRKQZ-TZMCWYRMSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)c1cccs1 ZINC001573630251 947791291 /nfs/dbraw/zinc/79/12/91/947791291.db2.gz XCJNCDVGUZTGTC-NWDGAFQWSA-N -1 1 384.469 1.347 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1)n1cccc1 ZINC001573630581 947791885 /nfs/dbraw/zinc/79/18/85/947791885.db2.gz ZARQQZIKAKRHTA-KGLIPLIRSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1)n1cccc1 ZINC001573630581 947791895 /nfs/dbraw/zinc/79/18/95/947791895.db2.gz ZARQQZIKAKRHTA-KGLIPLIRSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1)n1cccc1 ZINC001573630583 947792140 /nfs/dbraw/zinc/79/21/40/947792140.db2.gz ZARQQZIKAKRHTA-ZIAGYGMSSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1)n1cccc1 ZINC001573630583 947792150 /nfs/dbraw/zinc/79/21/50/947792150.db2.gz ZARQQZIKAKRHTA-ZIAGYGMSSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573630797 947796747 /nfs/dbraw/zinc/79/67/47/947796747.db2.gz SGNPOOATNRPKKS-ZJUUUORDSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001573631506 947802423 /nfs/dbraw/zinc/80/24/23/947802423.db2.gz VPQPHMFUJXGNJE-UONOGXRCSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001573631506 947802432 /nfs/dbraw/zinc/80/24/32/947802432.db2.gz VPQPHMFUJXGNJE-UONOGXRCSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H](C(=O)N1CCC2(C1)CCN(c1ccnc(-c3nn[n-]n3)n1)CC2)C1CC1 ZINC001573631517 947803035 /nfs/dbraw/zinc/80/30/35/947803035.db2.gz VWHNEOZGOXFIER-CYBMUJFWSA-N -1 1 382.472 1.522 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@@H](C)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001573374224 947807388 /nfs/dbraw/zinc/80/73/88/947807388.db2.gz NKHUJWXOFHTVQC-TZMCWYRMSA-N -1 1 386.460 1.455 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@@H](C)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001573374224 947807398 /nfs/dbraw/zinc/80/73/98/947807398.db2.gz NKHUJWXOFHTVQC-TZMCWYRMSA-N -1 1 386.460 1.455 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@@H]1[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001573374729 947813891 /nfs/dbraw/zinc/81/38/91/947813891.db2.gz PMUWFSVKRDYQMC-UONOGXRCSA-N -1 1 386.460 1.598 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@@H]1[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001573374729 947813892 /nfs/dbraw/zinc/81/38/92/947813892.db2.gz PMUWFSVKRDYQMC-UONOGXRCSA-N -1 1 386.460 1.598 20 0 GDADMM C[C@H](C(=O)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1)c1cccs1 ZINC001573637570 947816475 /nfs/dbraw/zinc/81/64/75/947816475.db2.gz JGIZRPVBUHBUOT-LBPRGKRZSA-N -1 1 384.469 1.561 20 0 GDADMM C[C@H](C(=O)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1)c1cccs1 ZINC001573637570 947816478 /nfs/dbraw/zinc/81/64/78/947816478.db2.gz JGIZRPVBUHBUOT-LBPRGKRZSA-N -1 1 384.469 1.561 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cccnc1 ZINC001573637683 947822219 /nfs/dbraw/zinc/82/22/19/947822219.db2.gz MVAJEUCOJJGXSX-GXTWGEPZSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cccnc1 ZINC001573637683 947822224 /nfs/dbraw/zinc/82/22/24/947822224.db2.gz MVAJEUCOJJGXSX-GXTWGEPZSA-N -1 1 379.428 1.258 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CCC[C@H]1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573375858 947828191 /nfs/dbraw/zinc/82/81/91/947828191.db2.gz QUTQZUKTLRCARS-KBPBESRZSA-N -1 1 386.460 1.421 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CCC[C@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573375858 947828196 /nfs/dbraw/zinc/82/81/96/947828196.db2.gz QUTQZUKTLRCARS-KBPBESRZSA-N -1 1 386.460 1.421 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccsc1 ZINC001573637940 947828900 /nfs/dbraw/zinc/82/89/00/947828900.db2.gz WQGMTBDZOJAINA-WCQYABFASA-N -1 1 384.469 1.925 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccsc1 ZINC001573637940 947828920 /nfs/dbraw/zinc/82/89/20/947828920.db2.gz WQGMTBDZOJAINA-WCQYABFASA-N -1 1 384.469 1.925 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001573376317 947835139 /nfs/dbraw/zinc/83/51/39/947835139.db2.gz YMHQRIPIUAMWNT-AWEZNQCLSA-N -1 1 386.460 1.457 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001573376317 947835146 /nfs/dbraw/zinc/83/51/46/947835146.db2.gz YMHQRIPIUAMWNT-AWEZNQCLSA-N -1 1 386.460 1.457 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H](C)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573376946 947846470 /nfs/dbraw/zinc/84/64/70/947846470.db2.gz FXUURJUWTWPUGY-UONOGXRCSA-N -1 1 386.460 1.137 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H](C)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573376946 947846478 /nfs/dbraw/zinc/84/64/78/947846478.db2.gz FXUURJUWTWPUGY-UONOGXRCSA-N -1 1 386.460 1.137 20 0 GDADMM CC(=O)CCCC(=O)N[C@](C)(CNc1nc(C)cc(-c2nnn[n-]2)n1)C1CC1 ZINC001573378116 947854608 /nfs/dbraw/zinc/85/46/08/947854608.db2.gz WEHUBABIINPZGV-GOSISDBHSA-N -1 1 386.460 1.421 20 0 GDADMM CC(=O)CCCC(=O)N[C@](C)(CNc1nc(C)cc(-c2nn[n-]n2)n1)C1CC1 ZINC001573378116 947854612 /nfs/dbraw/zinc/85/46/12/947854612.db2.gz WEHUBABIINPZGV-GOSISDBHSA-N -1 1 386.460 1.421 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C ZINC001573381533 947876867 /nfs/dbraw/zinc/87/68/67/947876867.db2.gz XAPZJVLVXBHXJC-ZDUSSCGKSA-N -1 1 386.460 1.137 20 0 GDADMM CC(=O)CCCC(=O)NC[C@@H]1CCCN1c1snc(C)c1-c1nn[n-]n1 ZINC001573382049 947881637 /nfs/dbraw/zinc/88/16/37/947881637.db2.gz CTYNVQOSQWASLD-LBPRGKRZSA-N -1 1 377.474 1.476 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)[C@H](C)C1)C(F)(F)F ZINC001573647735 947901747 /nfs/dbraw/zinc/90/17/47/947901747.db2.gz SPGVACCVEAAVGT-KXUCPTDWSA-N -1 1 384.366 1.362 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)[C@H](C)C1)C(F)(F)F ZINC001573647735 947901753 /nfs/dbraw/zinc/90/17/53/947901753.db2.gz SPGVACCVEAAVGT-KXUCPTDWSA-N -1 1 384.366 1.362 20 0 GDADMM C[C@H](C(=O)N1C[C@@H]2CCC[C@]2(CNc2cnc(-c3nnn[n-]3)cn2)C1)C1CC1 ZINC001573647688 947902242 /nfs/dbraw/zinc/90/22/42/947902242.db2.gz RVJMIAZEMUYPOA-PJFSTRORSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@H](C(=O)N1C[C@@H]2CCC[C@]2(CNc2cnc(-c3nn[n-]n3)cn2)C1)C1CC1 ZINC001573647688 947902252 /nfs/dbraw/zinc/90/22/52/947902252.db2.gz RVJMIAZEMUYPOA-PJFSTRORSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1)C1CCCC1 ZINC001573650679 947910950 /nfs/dbraw/zinc/91/09/50/947910950.db2.gz CTELUMJGODPPGV-BMFZPTHFSA-N -1 1 396.499 1.768 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1)C(C)(C)C ZINC001573650742 947912715 /nfs/dbraw/zinc/91/27/15/947912715.db2.gz DNKVABVVVRWIHU-MJBXVCDLSA-N -1 1 384.488 1.624 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@@]2(C)C1)C(C)(C)C ZINC001573651671 947923146 /nfs/dbraw/zinc/92/31/46/947923146.db2.gz ODWNTRBXTIBHLJ-VPZZIHKRSA-N -1 1 384.488 1.624 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@]2(C)C1)C(C)(C)C ZINC001573651671 947923156 /nfs/dbraw/zinc/92/31/56/947923156.db2.gz ODWNTRBXTIBHLJ-VPZZIHKRSA-N -1 1 384.488 1.624 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C(C)(C)C)n1cccn1 ZINC001573652034 947927210 /nfs/dbraw/zinc/92/72/10/947927210.db2.gz AALRDZQMYUTLKB-DGCLKSJQSA-N -1 1 384.448 1.057 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C(C)(C)C)n1cccn1 ZINC001573652034 947927214 /nfs/dbraw/zinc/92/72/14/947927214.db2.gz AALRDZQMYUTLKB-DGCLKSJQSA-N -1 1 384.448 1.057 20 0 GDADMM C[C@H](C(=O)N[C@](C)(CNc1nccnc1-c1nnn[n-]1)C1CC1)C(F)(F)F ZINC001573654504 947968226 /nfs/dbraw/zinc/96/82/26/947968226.db2.gz ROPSAFQGTFBXHP-XLKFXECMSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](C(=O)N[C@](C)(CNc1nccnc1-c1nn[n-]n1)C1CC1)C(F)(F)F ZINC001573654504 947968235 /nfs/dbraw/zinc/96/82/35/947968235.db2.gz ROPSAFQGTFBXHP-XLKFXECMSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C(C)(C)C)C(F)(F)F ZINC001573655726 947978784 /nfs/dbraw/zinc/97/87/84/947978784.db2.gz YOVJBJQNALASGD-BDAKNGLRSA-N -1 1 386.382 1.220 20 0 GDADMM Cc1onc(CC(=O)N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)c1-c1nnn[n-]1 ZINC000826342967 947985957 /nfs/dbraw/zinc/98/59/57/947985957.db2.gz HHTQNRKAVAGTDQ-JGFSIVIASA-N -1 1 388.453 1.663 20 0 GDADMM Cc1onc(CC(=O)N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)c1-c1nn[n-]n1 ZINC000826342967 947985961 /nfs/dbraw/zinc/98/59/61/947985961.db2.gz HHTQNRKAVAGTDQ-JGFSIVIASA-N -1 1 388.453 1.663 20 0 GDADMM Cc1onc(CC(=O)N(C)Cc2ccccc2N2CCCC2)c1-c1nnn[n-]1 ZINC000826343210 947989080 /nfs/dbraw/zinc/98/90/80/947989080.db2.gz QVOOCLAITNOWOK-UHFFFAOYSA-N -1 1 381.440 1.964 20 0 GDADMM Cc1onc(CC(=O)N(C)Cc2ccccc2N2CCCC2)c1-c1nn[n-]n1 ZINC000826343210 947989085 /nfs/dbraw/zinc/98/90/85/947989085.db2.gz QVOOCLAITNOWOK-UHFFFAOYSA-N -1 1 381.440 1.964 20 0 GDADMM C[C@@H](C(=O)N[C@@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccsc1 ZINC001573657673 948003483 /nfs/dbraw/zinc/00/34/83/948003483.db2.gz OLSYGIBASRQRTD-DIFFPNOSSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)N[C@@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccsc1 ZINC001573657673 948003485 /nfs/dbraw/zinc/00/34/85/948003485.db2.gz OLSYGIBASRQRTD-DIFFPNOSSA-N -1 1 384.469 1.607 20 0 GDADMM Cc1onc(CC(=O)N2CCN([C@@H](C)c3cccc(F)c3)CC2)c1-c1nn[n-]n1 ZINC000826344499 948010112 /nfs/dbraw/zinc/01/01/12/948010112.db2.gz JWHRXCXWKWOMFA-LBPRGKRZSA-N -1 1 399.430 1.750 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)c1-c1nnn[n-]1 ZINC000826345046 948018821 /nfs/dbraw/zinc/01/88/21/948018821.db2.gz AHHPWLTWTVOEEH-HIFRSBDPSA-N -1 1 382.424 1.990 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)c1-c1nn[n-]n1 ZINC000826345046 948018830 /nfs/dbraw/zinc/01/88/30/948018830.db2.gz AHHPWLTWTVOEEH-HIFRSBDPSA-N -1 1 382.424 1.990 20 0 GDADMM C[C@H](C(=O)N[C@]12CCC[C@@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2)C1CCC1 ZINC001573661761 948021559 /nfs/dbraw/zinc/02/15/59/948021559.db2.gz AFZLZFTXLSYKHR-PJFSTRORSA-N -1 1 382.472 1.711 20 0 GDADMM Cc1onc(CC(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)c1-c1nnn[n-]1 ZINC000826346194 948034691 /nfs/dbraw/zinc/03/46/91/948034691.db2.gz GHLCELPFABDQPM-LLVKDONJSA-N -1 1 389.366 1.379 20 0 GDADMM Cc1onc(CC(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)c1-c1nn[n-]n1 ZINC000826346194 948034699 /nfs/dbraw/zinc/03/46/99/948034699.db2.gz GHLCELPFABDQPM-LLVKDONJSA-N -1 1 389.366 1.379 20 0 GDADMM Cc1onc(CC(=O)NC2(c3noc(C(C)C)n3)CCCC2)c1-c1nnn[n-]1 ZINC000826346063 948036190 /nfs/dbraw/zinc/03/61/90/948036190.db2.gz BSFRYTMAYWHKOC-UHFFFAOYSA-N -1 1 386.416 1.798 20 0 GDADMM Cc1onc(CC(=O)NC2(c3noc(C(C)C)n3)CCCC2)c1-c1nn[n-]n1 ZINC000826346063 948036198 /nfs/dbraw/zinc/03/61/98/948036198.db2.gz BSFRYTMAYWHKOC-UHFFFAOYSA-N -1 1 386.416 1.798 20 0 GDADMM Cc1onc(CC(=O)N[C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)c1-c1nnn[n-]1 ZINC000826346397 948039874 /nfs/dbraw/zinc/03/98/74/948039874.db2.gz LOVOUBIUHWVXAQ-QMTHXVAHSA-N -1 1 381.396 1.016 20 0 GDADMM Cc1onc(CC(=O)N[C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)c1-c1nn[n-]n1 ZINC000826346397 948039881 /nfs/dbraw/zinc/03/98/81/948039881.db2.gz LOVOUBIUHWVXAQ-QMTHXVAHSA-N -1 1 381.396 1.016 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)c1ccco1 ZINC001573663875 948043059 /nfs/dbraw/zinc/04/30/59/948043059.db2.gz BBIIQIDMTBBQBN-STQMWFEESA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)c1ccco1 ZINC001573663875 948043068 /nfs/dbraw/zinc/04/30/68/948043068.db2.gz BBIIQIDMTBBQBN-STQMWFEESA-N -1 1 382.428 1.529 20 0 GDADMM Cc1onc(CC(=O)NC[C@H](O)c2ccccc2C(F)(F)F)c1-c1nnn[n-]1 ZINC000826347383 948053801 /nfs/dbraw/zinc/05/38/01/948053801.db2.gz PHFHGQRQKWWCCZ-LBPRGKRZSA-N -1 1 396.329 1.574 20 0 GDADMM Cc1onc(CC(=O)NC[C@H](O)c2ccccc2C(F)(F)F)c1-c1nn[n-]n1 ZINC000826347383 948053806 /nfs/dbraw/zinc/05/38/06/948053806.db2.gz PHFHGQRQKWWCCZ-LBPRGKRZSA-N -1 1 396.329 1.574 20 0 GDADMM C[C@H](C(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1)c1cccnc1 ZINC001573664474 948054585 /nfs/dbraw/zinc/05/45/85/948054585.db2.gz VCFUHJCXTGWLBE-DCBWTQNWSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@H](C(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1)c1cccnc1 ZINC001573664474 948054589 /nfs/dbraw/zinc/05/45/89/948054589.db2.gz VCFUHJCXTGWLBE-DCBWTQNWSA-N -1 1 379.428 1.162 20 0 GDADMM Cc1onc(CC(=O)NC[C@@H](O)c2ccc3ccccc3c2)c1-c1nnn[n-]1 ZINC000826347567 948055015 /nfs/dbraw/zinc/05/50/15/948055015.db2.gz VMCFTPDWEBYSGU-MRXNPFEDSA-N -1 1 378.392 1.709 20 0 GDADMM Cc1onc(CC(=O)NC[C@@H](O)c2ccc3ccccc3c2)c1-c1nn[n-]n1 ZINC000826347567 948055024 /nfs/dbraw/zinc/05/50/24/948055024.db2.gz VMCFTPDWEBYSGU-MRXNPFEDSA-N -1 1 378.392 1.709 20 0 GDADMM C[C@H](C(=O)NC1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)C(C)(F)F ZINC001573664698 948060593 /nfs/dbraw/zinc/06/05/93/948060593.db2.gz GHPALBOBYLYKLR-KPPDAEKUSA-N -1 1 380.403 1.209 20 0 GDADMM Cc1onc(CC(=O)NCc2cccnc2N2CCCCC2)c1-c1nn[n-]n1 ZINC000826348157 948067948 /nfs/dbraw/zinc/06/79/48/948067948.db2.gz XPYHSQKWWZYNLU-UHFFFAOYSA-N -1 1 382.428 1.407 20 0 GDADMM Cc1onc(CC(=O)NCc2nc(-c3ccncc3)cs2)c1-c1nnn[n-]1 ZINC000826348144 948067993 /nfs/dbraw/zinc/06/79/93/948067993.db2.gz WZIZJGJWPYLOBQ-UHFFFAOYSA-N -1 1 382.409 1.541 20 0 GDADMM Cc1onc(CC(=O)NCc2nc(-c3ccncc3)cs2)c1-c1nn[n-]n1 ZINC000826348144 948068001 /nfs/dbraw/zinc/06/80/01/948068001.db2.gz WZIZJGJWPYLOBQ-UHFFFAOYSA-N -1 1 382.409 1.541 20 0 GDADMM Cc1onc(CC(=O)Nc2cccc(C(=O)N3CCCC3)c2C)c1-c1nnn[n-]1 ZINC000826349114 948088735 /nfs/dbraw/zinc/08/87/35/948088735.db2.gz UMAIIQUIOPRONF-UHFFFAOYSA-N -1 1 395.423 1.889 20 0 GDADMM Cc1onc(CC(=O)Nc2cccc(C(=O)N3CCCC3)c2C)c1-c1nn[n-]n1 ZINC000826349114 948088746 /nfs/dbraw/zinc/08/87/46/948088746.db2.gz UMAIIQUIOPRONF-UHFFFAOYSA-N -1 1 395.423 1.889 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cccc(F)c1 ZINC001573671328 948105245 /nfs/dbraw/zinc/10/52/45/948105245.db2.gz DQUJULVAXUQRMM-RISCZKNCSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cccc(F)c1 ZINC001573671328 948105250 /nfs/dbraw/zinc/10/52/50/948105250.db2.gz DQUJULVAXUQRMM-RISCZKNCSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1)C(C)(F)F ZINC001573673905 948115557 /nfs/dbraw/zinc/11/55/57/948115557.db2.gz MCFSGPBMLFCNIC-RNFRBKRXSA-N -1 1 391.835 1.963 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1)C(C)(F)F ZINC001573673905 948115564 /nfs/dbraw/zinc/11/55/64/948115564.db2.gz MCFSGPBMLFCNIC-RNFRBKRXSA-N -1 1 391.835 1.963 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C)C1CCC1 ZINC001573675425 948121454 /nfs/dbraw/zinc/12/14/54/948121454.db2.gz PWMKFKFVUYSCID-WFASDCNBSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C)C1CCC1 ZINC001573675425 948121457 /nfs/dbraw/zinc/12/14/57/948121457.db2.gz PWMKFKFVUYSCID-WFASDCNBSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C)C(F)(F)F ZINC001573676863 948130726 /nfs/dbraw/zinc/13/07/26/948130726.db2.gz AWXGIQXIYXHABY-WCBMZHEXSA-N -1 1 384.366 1.186 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C)C(F)(F)F ZINC001573676863 948130731 /nfs/dbraw/zinc/13/07/31/948130731.db2.gz AWXGIQXIYXHABY-WCBMZHEXSA-N -1 1 384.366 1.186 20 0 GDADMM C[C@H](C(=O)N[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC1(C)C)C(C)(F)F ZINC001573677816 948141408 /nfs/dbraw/zinc/14/14/08/948141408.db2.gz FKGQKNDNBBPUSL-ZJUUUORDSA-N -1 1 380.403 1.279 20 0 GDADMM C[C@H](C(=O)N[C@H]1CN(c2nccnc2-c2nn[n-]n2)CC1(C)C)C(C)(F)F ZINC001573677816 948141413 /nfs/dbraw/zinc/14/14/13/948141413.db2.gz FKGQKNDNBBPUSL-ZJUUUORDSA-N -1 1 380.403 1.279 20 0 GDADMM C[C@H](C(=O)NC[C@H](CO)Nc1nc(-c2nn[n-]n2)c(Cl)s1)C(C)(C)C ZINC001573678575 948152456 /nfs/dbraw/zinc/15/24/56/948152456.db2.gz FHOACOLXWFDDBT-HTQZYQBOSA-N -1 1 387.897 1.548 20 0 GDADMM C[C@@H](CNC(=O)[C@@H](C)c1cccc(F)c1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001573679549 948162169 /nfs/dbraw/zinc/16/21/69/948162169.db2.gz KRVWIXMMFFTFGG-RYUDHWBXSA-N -1 1 384.419 1.540 20 0 GDADMM C[C@@H](CNC(=O)[C@@H](C)c1cccc(F)c1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001573679549 948162171 /nfs/dbraw/zinc/16/21/71/948162171.db2.gz KRVWIXMMFFTFGG-RYUDHWBXSA-N -1 1 384.419 1.540 20 0 GDADMM C[C@H](C(=O)NC[C@@H](CO)Nc1snc(Cl)c1-c1nnn[n-]1)C1CCC1 ZINC001573679443 948162333 /nfs/dbraw/zinc/16/23/33/948162333.db2.gz IWKWMXYPFOYREN-CBAPKCEASA-N -1 1 385.881 1.302 20 0 GDADMM C[C@H](C(=O)NC[C@@H](CO)Nc1snc(Cl)c1-c1nn[n-]n1)C1CCC1 ZINC001573679443 948162336 /nfs/dbraw/zinc/16/23/36/948162336.db2.gz IWKWMXYPFOYREN-CBAPKCEASA-N -1 1 385.881 1.302 20 0 GDADMM C[C@@H](C(=O)NC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)c1ccccc1)C1CC1 ZINC001573680153 948173295 /nfs/dbraw/zinc/17/32/95/948173295.db2.gz MFAMMTGRFRRSAV-IUODEOHRSA-N -1 1 378.440 1.972 20 0 GDADMM C[C@@H](C(=O)NC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)c1ccccc1)C1CC1 ZINC001573680153 948173302 /nfs/dbraw/zinc/17/33/02/948173302.db2.gz MFAMMTGRFRRSAV-IUODEOHRSA-N -1 1 378.440 1.972 20 0 GDADMM Nc1n[nH]c(CCCNc2ccnc(Cc3ccccc3)n2)c1-c1nnn[n-]1 ZINC000826395179 948205992 /nfs/dbraw/zinc/20/59/92/948205992.db2.gz QCJYDPJHVUBGQS-UHFFFAOYSA-N -1 1 376.428 1.598 20 0 GDADMM Nc1n[nH]c(CCCNc2ccnc(Cc3ccccc3)n2)c1-c1nn[n-]n1 ZINC000826395179 948206002 /nfs/dbraw/zinc/20/60/02/948206002.db2.gz QCJYDPJHVUBGQS-UHFFFAOYSA-N -1 1 376.428 1.598 20 0 GDADMM C[C@H](C(=O)NC[C@@H](O)CNc1snc(Cl)c1-c1nnn[n-]1)C(C)(C)C ZINC001573692657 948269748 /nfs/dbraw/zinc/26/97/48/948269748.db2.gz QFIHAQBNLOIWRW-HTQZYQBOSA-N -1 1 387.897 1.548 20 0 GDADMM C[C@H](C(=O)NC[C@@H](O)CNc1snc(Cl)c1-c1nn[n-]n1)C(C)(C)C ZINC001573692657 948269754 /nfs/dbraw/zinc/26/97/54/948269754.db2.gz QFIHAQBNLOIWRW-HTQZYQBOSA-N -1 1 387.897 1.548 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1)c1ccccc1F ZINC001573693672 948285902 /nfs/dbraw/zinc/28/59/02/948285902.db2.gz AQLNIHPTBLNNDW-NSHDSACASA-N -1 1 382.403 1.660 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1)c1ccccc1F ZINC001573693672 948285909 /nfs/dbraw/zinc/28/59/09/948285909.db2.gz AQLNIHPTBLNNDW-NSHDSACASA-N -1 1 382.403 1.660 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1)n1cccc1 ZINC001573702276 948345373 /nfs/dbraw/zinc/34/53/73/948345373.db2.gz DCCADCNXPYSPQV-KGLIPLIRSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1)n1cccc1 ZINC001573702276 948345380 /nfs/dbraw/zinc/34/53/80/948345380.db2.gz DCCADCNXPYSPQV-KGLIPLIRSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001573703687 948360405 /nfs/dbraw/zinc/36/04/05/948360405.db2.gz MCYKHBSZSISSIG-QWHCGFSZSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001573703687 948360416 /nfs/dbraw/zinc/36/04/16/948360416.db2.gz MCYKHBSZSISSIG-QWHCGFSZSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@H](C(=O)NCCC1(CNc2nccnc2-c2nnn[n-]2)CC1)n1cccc1 ZINC001573705191 948392681 /nfs/dbraw/zinc/39/26/81/948392681.db2.gz DFVDCIUNPQBUDW-CYBMUJFWSA-N -1 1 381.444 1.418 20 0 GDADMM C[C@H](C(=O)NCCC1(CNc2nccnc2-c2nn[n-]n2)CC1)n1cccc1 ZINC001573705191 948392687 /nfs/dbraw/zinc/39/26/87/948392687.db2.gz DFVDCIUNPQBUDW-CYBMUJFWSA-N -1 1 381.444 1.418 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccsc1 ZINC001573706952 948426939 /nfs/dbraw/zinc/42/69/39/948426939.db2.gz MOTTVEHCAMUHNQ-NEPJUHHUSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccsc1 ZINC001573706952 948426943 /nfs/dbraw/zinc/42/69/43/948426943.db2.gz MOTTVEHCAMUHNQ-NEPJUHHUSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1)C1CC1 ZINC001573708138 948444228 /nfs/dbraw/zinc/44/42/28/948444228.db2.gz RWJRGVADDNICGA-DTWKUNHWSA-N -1 1 381.893 1.965 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1)C1CC1 ZINC001573708138 948444234 /nfs/dbraw/zinc/44/42/34/948444234.db2.gz RWJRGVADDNICGA-DTWKUNHWSA-N -1 1 381.893 1.965 20 0 GDADMM C[C@H](C(=O)NCC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001573713830 948467149 /nfs/dbraw/zinc/46/71/49/948467149.db2.gz BWJFMLREUCZDSO-ZIAGYGMSSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@H](C(=O)NCC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001573713830 948467156 /nfs/dbraw/zinc/46/71/56/948467156.db2.gz BWJFMLREUCZDSO-ZIAGYGMSSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1)c1c(F)cccc1F ZINC001573715063 948483030 /nfs/dbraw/zinc/48/30/30/948483030.db2.gz NSCUFLFETISXGN-SNVBAGLBSA-N -1 1 388.382 1.291 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1)c1c(F)cccc1F ZINC001573715063 948483036 /nfs/dbraw/zinc/48/30/36/948483036.db2.gz NSCUFLFETISXGN-SNVBAGLBSA-N -1 1 388.382 1.291 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)[C@H](C)n1cccn1 ZINC001573731565 948592654 /nfs/dbraw/zinc/59/26/54/948592654.db2.gz GXLSGJFRZFEWSU-YUMQZZPRSA-N -1 1 381.853 1.351 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@H](C)n1cccn1 ZINC001573731565 948592658 /nfs/dbraw/zinc/59/26/58/948592658.db2.gz GXLSGJFRZFEWSU-YUMQZZPRSA-N -1 1 381.853 1.351 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573739919 948625640 /nfs/dbraw/zinc/62/56/40/948625640.db2.gz IPJMLGQFJGWJJN-RGYTYGDFSA-N -1 1 390.451 1.319 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)CC1)C(C)(F)F ZINC001573746520 948683036 /nfs/dbraw/zinc/68/30/36/948683036.db2.gz NMZHONFXHPAIPY-DCAQKATOSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)CC1)C(C)(F)F ZINC001573746520 948683039 /nfs/dbraw/zinc/68/30/39/948683039.db2.gz NMZHONFXHPAIPY-DCAQKATOSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2nccnc2-c2nnn[n-]2)CC1)C(F)(F)F ZINC001573746935 948688423 /nfs/dbraw/zinc/68/84/23/948688423.db2.gz RNHKNNQHWMBJHA-GUBZILKMSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2nccnc2-c2nn[n-]n2)CC1)C(F)(F)F ZINC001573746935 948688428 /nfs/dbraw/zinc/68/84/28/948688428.db2.gz RNHKNNQHWMBJHA-GUBZILKMSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1)C(C)(F)F ZINC001573753603 948719488 /nfs/dbraw/zinc/71/94/88/948719488.db2.gz VTESWLFCVIBDJT-WYFGTUCQSA-N -1 1 378.387 1.174 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1)C(C)(F)F ZINC001573753603 948719494 /nfs/dbraw/zinc/71/94/94/948719494.db2.gz VTESWLFCVIBDJT-WYFGTUCQSA-N -1 1 378.387 1.174 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1F ZINC001573754082 948724956 /nfs/dbraw/zinc/72/49/56/948724956.db2.gz ZYGQYATXMBCRNX-SRVKXCTJSA-N -1 1 382.403 1.081 20 0 GDADMM CC(C)[C@@H](F)C(=O)NC[C@@H]1CCCCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001574075019 948742783 /nfs/dbraw/zinc/74/27/83/948742783.db2.gz ZLNDTTHWCADIIV-SWLSCSKDSA-N -1 1 376.440 1.516 20 0 GDADMM CC(C)[C@@H](F)C(=O)NC[C@@H]1CCCCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001574075019 948742785 /nfs/dbraw/zinc/74/27/85/948742785.db2.gz ZLNDTTHWCADIIV-SWLSCSKDSA-N -1 1 376.440 1.516 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@@H](C)[C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)nc1 ZINC001574415997 948744133 /nfs/dbraw/zinc/74/41/33/948744133.db2.gz NPYPSMBDOUSERK-NEPJUHHUSA-N -1 1 381.444 1.794 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@@H](C)[C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)nc1 ZINC001574415997 948744142 /nfs/dbraw/zinc/74/41/42/948744142.db2.gz NPYPSMBDOUSERK-NEPJUHHUSA-N -1 1 381.444 1.794 20 0 GDADMM CC(C)[C@H](F)C(=O)N1CCC2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001574075642 948747444 /nfs/dbraw/zinc/74/74/44/948747444.db2.gz XWFOOEBMRODZKK-AWEZNQCLSA-N -1 1 388.451 1.470 20 0 GDADMM CC(C)[C@@H](F)C(=O)N1CC[C@]2(C1)CCCN(c1nccnc1-c1nnn[n-]1)C2 ZINC001574075681 948750472 /nfs/dbraw/zinc/75/04/72/948750472.db2.gz YTOIJDHBYSWAFM-FZKQIMNGSA-N -1 1 388.451 1.470 20 0 GDADMM CC(C)[C@@H](F)C(=O)N1CC[C@]2(C1)CCCN(c1nccnc1-c1nn[n-]n1)C2 ZINC001574075681 948750487 /nfs/dbraw/zinc/75/04/87/948750487.db2.gz YTOIJDHBYSWAFM-FZKQIMNGSA-N -1 1 388.451 1.470 20 0 GDADMM C[C@@H](CNC(=O)CCc1ccc(Cl)cc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574914635 948751282 /nfs/dbraw/zinc/75/12/82/948751282.db2.gz LPTRMOCXTRKEHQ-NSHDSACASA-N -1 1 386.847 1.860 20 0 GDADMM C[C@@H](CNC(=O)CCc1ccc(Cl)cc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574914635 948751291 /nfs/dbraw/zinc/75/12/91/948751291.db2.gz LPTRMOCXTRKEHQ-NSHDSACASA-N -1 1 386.847 1.860 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@]1(C)CCc2ccccc21 ZINC001574678846 948760688 /nfs/dbraw/zinc/76/06/88/948760688.db2.gz KAKCCDMEWJXMEL-RBZFPXEDSA-N -1 1 392.467 1.868 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@]1(C)CCc2ccccc21 ZINC001574678846 948760698 /nfs/dbraw/zinc/76/06/98/948760698.db2.gz KAKCCDMEWJXMEL-RBZFPXEDSA-N -1 1 392.467 1.868 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cnn(C(C)(C)C)c1 ZINC001574679201 948769491 /nfs/dbraw/zinc/76/94/91/948769491.db2.gz QEBUVAZNJLNCEX-NSHDSACASA-N -1 1 384.448 1.229 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cnn(C(C)(C)C)c1 ZINC001574679201 948769500 /nfs/dbraw/zinc/76/95/00/948769500.db2.gz QEBUVAZNJLNCEX-NSHDSACASA-N -1 1 384.448 1.229 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCC(Nc3cnc(-c4nnn[n-]4)cn3)CC2)CC1 ZINC001575223954 948774375 /nfs/dbraw/zinc/77/43/75/948774375.db2.gz QHTPUYGDHISSJP-UHFFFAOYSA-N -1 1 378.387 1.495 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCC(Nc3cnc(-c4nn[n-]n4)cn3)CC2)CC1 ZINC001575223954 948774382 /nfs/dbraw/zinc/77/43/82/948774382.db2.gz QHTPUYGDHISSJP-UHFFFAOYSA-N -1 1 378.387 1.495 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1coc(C(C)(C)C)n1 ZINC001574679462 948781337 /nfs/dbraw/zinc/78/13/37/948781337.db2.gz VSSNJSOXKMHMFG-JTQLQIEISA-N -1 1 385.432 1.563 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1coc(C(C)(C)C)n1 ZINC001574679462 948781349 /nfs/dbraw/zinc/78/13/49/948781349.db2.gz VSSNJSOXKMHMFG-JTQLQIEISA-N -1 1 385.432 1.563 20 0 GDADMM CC(F)(F)CC(=O)N1C[C@@H]2CCC[C@]2(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575224292 948782517 /nfs/dbraw/zinc/78/25/17/948782517.db2.gz LNERPDBXFGEJKF-GTNSWQLSSA-N -1 1 392.414 1.743 20 0 GDADMM CC(F)(F)CC(=O)N1C[C@@H]2CCC[C@]2(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575224292 948782529 /nfs/dbraw/zinc/78/25/29/948782529.db2.gz LNERPDBXFGEJKF-GTNSWQLSSA-N -1 1 392.414 1.743 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CC[C@H](CNc3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001575224466 948785163 /nfs/dbraw/zinc/78/51/63/948785163.db2.gz WKOPQYRPMWGZLE-QWRGUYRKSA-N -1 1 392.414 1.789 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CC[C@H](CNc3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001575224466 948785185 /nfs/dbraw/zinc/78/51/85/948785185.db2.gz WKOPQYRPMWGZLE-QWRGUYRKSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccc2c(c1)CCC2 ZINC001574680105 948801471 /nfs/dbraw/zinc/80/14/71/948801471.db2.gz DLIZXRHUFKJXDJ-LBPRGKRZSA-N -1 1 378.440 1.766 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccc2c(c1)CCC2 ZINC001574680105 948801486 /nfs/dbraw/zinc/80/14/86/948801486.db2.gz DLIZXRHUFKJXDJ-LBPRGKRZSA-N -1 1 378.440 1.766 20 0 GDADMM CC(F)(F)CC(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001575225268 948803245 /nfs/dbraw/zinc/80/32/45/948803245.db2.gz YLYLDTATPHVKOD-LLVKDONJSA-N -1 1 380.403 1.211 20 0 GDADMM CC(C)c1ccoc1C(=O)NCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001574420847 948806433 /nfs/dbraw/zinc/80/64/33/948806433.db2.gz BQWNLBHPTRWQAU-UHFFFAOYSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1ccoc1C(=O)NCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001574420847 948806453 /nfs/dbraw/zinc/80/64/53/948806453.db2.gz BQWNLBHPTRWQAU-UHFFFAOYSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1ccoc1C(=O)N1C[C@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574420866 948807526 /nfs/dbraw/zinc/80/75/26/948807526.db2.gz CFQWFHAQIHZOFD-WCQYABFASA-N -1 1 382.428 1.368 20 0 GDADMM CC(C)c1ccoc1C(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)[C@@H](C)C1 ZINC001574421682 948820054 /nfs/dbraw/zinc/82/00/54/948820054.db2.gz MOUUNZQLYVQKHH-FZMZJTMJSA-N -1 1 382.428 1.946 20 0 GDADMM CC(C)c1ccoc1C(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)[C@@H](C)C1 ZINC001574421682 948820071 /nfs/dbraw/zinc/82/00/71/948820071.db2.gz MOUUNZQLYVQKHH-FZMZJTMJSA-N -1 1 382.428 1.946 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cc2c(o1)CCCC2 ZINC001574681732 948822749 /nfs/dbraw/zinc/82/27/49/948822749.db2.gz NIHSFPVZKJYVOX-LLVKDONJSA-N -1 1 382.428 1.749 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cc2c(o1)CCCC2 ZINC001574681732 948822765 /nfs/dbraw/zinc/82/27/65/948822765.db2.gz NIHSFPVZKJYVOX-LLVKDONJSA-N -1 1 382.428 1.749 20 0 GDADMM CC(C)[C@H](F)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001574081189 948825172 /nfs/dbraw/zinc/82/51/72/948825172.db2.gz QXRHKAUFZOALMH-CRWXNKLISA-N -1 1 388.451 1.514 20 0 GDADMM CC(C)[C@H](F)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001574081189 948825183 /nfs/dbraw/zinc/82/51/83/948825183.db2.gz QXRHKAUFZOALMH-CRWXNKLISA-N -1 1 388.451 1.514 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@H]2[C@H](CCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575227080 948825886 /nfs/dbraw/zinc/82/58/86/948825886.db2.gz RMPJWXCATJAQAB-PWSUYJOCSA-N -1 1 378.387 1.129 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@H]2[C@H](CCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575227080 948825903 /nfs/dbraw/zinc/82/59/03/948825903.db2.gz RMPJWXCATJAQAB-PWSUYJOCSA-N -1 1 378.387 1.129 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001575227322 948827345 /nfs/dbraw/zinc/82/73/45/948827345.db2.gz SUAXENNUTKJALO-QWRGUYRKSA-N -1 1 378.387 1.272 20 0 GDADMM CC(C)c1ccoc1C(=O)N(C)CCCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574422326 948829824 /nfs/dbraw/zinc/82/98/24/948829824.db2.gz YSZTWISSZBGDIL-UHFFFAOYSA-N -1 1 384.444 1.972 20 0 GDADMM CC(C)c1ccoc1C(=O)N(C)CCCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574422326 948829839 /nfs/dbraw/zinc/82/98/39/948829839.db2.gz YSZTWISSZBGDIL-UHFFFAOYSA-N -1 1 384.444 1.972 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001573761998 948847074 /nfs/dbraw/zinc/84/70/74/948847074.db2.gz NTRMXHRDPWPIMT-VIFPVBQESA-N -1 1 384.366 1.506 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001573761998 948847085 /nfs/dbraw/zinc/84/70/85/948847085.db2.gz NTRMXHRDPWPIMT-VIFPVBQESA-N -1 1 384.366 1.506 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cc(F)c(F)cc1F ZINC001574683233 948848206 /nfs/dbraw/zinc/84/82/06/948848206.db2.gz WHVOKNCJSNHCND-MRVPVSSYSA-N -1 1 392.345 1.695 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cc(F)c(F)cc1F ZINC001574683233 948848220 /nfs/dbraw/zinc/84/82/20/948848220.db2.gz WHVOKNCJSNHCND-MRVPVSSYSA-N -1 1 392.345 1.695 20 0 GDADMM C[C@H](CNC(=O)CCCc1ccccc1)CNc1nccnc1-c1nnn[n-]1 ZINC001574918546 948849941 /nfs/dbraw/zinc/84/99/41/948849941.db2.gz NCMNTJCFMTZCBR-CQSZACIVSA-N -1 1 380.456 1.844 20 0 GDADMM C[C@H](CNC(=O)CCCc1ccccc1)CNc1nccnc1-c1nn[n-]n1 ZINC001574918546 948849957 /nfs/dbraw/zinc/84/99/57/948849957.db2.gz NCMNTJCFMTZCBR-CQSZACIVSA-N -1 1 380.456 1.844 20 0 GDADMM CC(C)c1nc(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)cs1 ZINC001574424571 948854035 /nfs/dbraw/zinc/85/40/35/948854035.db2.gz QJTXHQQQIVVAPE-JTQLQIEISA-N -1 1 385.457 1.563 20 0 GDADMM CC(C)c1nc(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)cs1 ZINC001574424571 948854055 /nfs/dbraw/zinc/85/40/55/948854055.db2.gz QJTXHQQQIVVAPE-JTQLQIEISA-N -1 1 385.457 1.563 20 0 GDADMM CC(C)(C(=O)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1)C1CCC1 ZINC001573762667 948860459 /nfs/dbraw/zinc/86/04/59/948860459.db2.gz XUBRWQHLATXGNQ-UHFFFAOYSA-N -1 1 384.488 1.555 20 0 GDADMM CC(C)c1ccsc1C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574424962 948867462 /nfs/dbraw/zinc/86/74/62/948867462.db2.gz YQXMKPSJJPKFLI-NSHDSACASA-N -1 1 384.469 1.850 20 0 GDADMM CC(C)c1ccsc1C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574424962 948867483 /nfs/dbraw/zinc/86/74/83/948867483.db2.gz YQXMKPSJJPKFLI-NSHDSACASA-N -1 1 384.469 1.850 20 0 GDADMM CC(C)(C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1)C(F)F ZINC001573763769 948874956 /nfs/dbraw/zinc/87/49/56/948874956.db2.gz HETCOOPRHZWUHF-MNOVXSKESA-N -1 1 392.414 1.518 20 0 GDADMM CC(C)(C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1)C(F)F ZINC001573763769 948874971 /nfs/dbraw/zinc/87/49/71/948874971.db2.gz HETCOOPRHZWUHF-MNOVXSKESA-N -1 1 392.414 1.518 20 0 GDADMM C[C@H](CNC(=O)CCCc1ccc(F)cc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574919413 948877327 /nfs/dbraw/zinc/87/73/27/948877327.db2.gz YVPRKSHRJFZCPH-GFCCVEGCSA-N -1 1 384.419 1.735 20 0 GDADMM C[C@H](CNC(=O)CCCc1ccc(F)cc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574919413 948877344 /nfs/dbraw/zinc/87/73/44/948877344.db2.gz YVPRKSHRJFZCPH-GFCCVEGCSA-N -1 1 384.419 1.735 20 0 GDADMM CC(F)(F)CC(=O)NCC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575233548 948886482 /nfs/dbraw/zinc/88/64/82/948886482.db2.gz LGBCVRSLXXXQQB-UHFFFAOYSA-N -1 1 380.403 1.425 20 0 GDADMM CC(F)(F)CC(=O)NCC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575233548 948886509 /nfs/dbraw/zinc/88/65/09/948886509.db2.gz LGBCVRSLXXXQQB-UHFFFAOYSA-N -1 1 380.403 1.425 20 0 GDADMM CC(C)c1nc(C(=O)NCC[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)cs1 ZINC001574426121 948886727 /nfs/dbraw/zinc/88/67/27/948886727.db2.gz QTOVIIKJGCMYNE-JTQLQIEISA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)c1nc(C(=O)NCC[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)cs1 ZINC001574426121 948886741 /nfs/dbraw/zinc/88/67/41/948886741.db2.gz QTOVIIKJGCMYNE-JTQLQIEISA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)(C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001573764971 948899392 /nfs/dbraw/zinc/89/93/92/948899392.db2.gz SWJDXDMKOARWGS-KGLIPLIRSA-N -1 1 382.472 1.663 20 0 GDADMM CC(C)(C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001573764971 948899412 /nfs/dbraw/zinc/89/94/12/948899412.db2.gz SWJDXDMKOARWGS-KGLIPLIRSA-N -1 1 382.472 1.663 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@H](C)[C@@H](C)Nc2nccnc2-c2nnn[n-]2)s1 ZINC001574427633 948907151 /nfs/dbraw/zinc/90/71/51/948907151.db2.gz KVBDGQRIYHRCDB-NXEZZACHSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@H](C)[C@@H](C)Nc2nccnc2-c2nn[n-]n2)s1 ZINC001574427633 948907167 /nfs/dbraw/zinc/90/71/67/948907167.db2.gz KVBDGQRIYHRCDB-NXEZZACHSA-N -1 1 387.473 1.856 20 0 GDADMM CC(F)(F)CC(=O)NC[C@@]1(C)CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575235030 948908684 /nfs/dbraw/zinc/90/86/84/948908684.db2.gz SHGYADDUFZYWRI-OAHLLOKOSA-N -1 1 380.403 1.425 20 0 GDADMM CC(F)(F)CC(=O)NC[C@@]1(C)CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575235030 948908697 /nfs/dbraw/zinc/90/86/97/948908697.db2.gz SHGYADDUFZYWRI-OAHLLOKOSA-N -1 1 380.403 1.425 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001575235219 948914444 /nfs/dbraw/zinc/91/44/44/948914444.db2.gz LNAFAYMMXYCOTA-NEPJUHHUSA-N -1 1 392.414 1.662 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001575235219 948914457 /nfs/dbraw/zinc/91/44/57/948914457.db2.gz LNAFAYMMXYCOTA-NEPJUHHUSA-N -1 1 392.414 1.662 20 0 GDADMM CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1)C(F)(F)F ZINC001573765758 948923427 /nfs/dbraw/zinc/92/34/27/948923427.db2.gz DTEYJVKVZQISLJ-IUCAKERBSA-N -1 1 382.350 1.035 20 0 GDADMM CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1)C(F)(F)F ZINC001573765758 948923432 /nfs/dbraw/zinc/92/34/32/948923432.db2.gz DTEYJVKVZQISLJ-IUCAKERBSA-N -1 1 382.350 1.035 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575235788 948924637 /nfs/dbraw/zinc/92/46/37/948924637.db2.gz QLAYPAMXBIXDIK-LLVKDONJSA-N -1 1 380.403 1.743 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575235788 948924650 /nfs/dbraw/zinc/92/46/50/948924650.db2.gz QLAYPAMXBIXDIK-LLVKDONJSA-N -1 1 380.403 1.743 20 0 GDADMM CC(C)[C@@H]1C[C@@H](C(=O)N(C)CCN(C)c2nccnc2-c2nnn[n-]2)CCO1 ZINC001574088772 948935512 /nfs/dbraw/zinc/93/55/12/948935512.db2.gz CKWMIULWIMSFRD-KBPBESRZSA-N -1 1 388.476 1.003 20 0 GDADMM CC(C)[C@@H]1C[C@@H](C(=O)N(C)CCN(C)c2nccnc2-c2nn[n-]n2)CCO1 ZINC001574088772 948935520 /nfs/dbraw/zinc/93/55/20/948935520.db2.gz CKWMIULWIMSFRD-KBPBESRZSA-N -1 1 388.476 1.003 20 0 GDADMM CC(F)(F)CCC(=O)NC[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575237826 948947440 /nfs/dbraw/zinc/94/74/40/948947440.db2.gz IAOVGUQQNOUCLS-NSHDSACASA-N -1 1 380.403 1.425 20 0 GDADMM CC(F)(F)CCC(=O)NC[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575237826 948947452 /nfs/dbraw/zinc/94/74/52/948947452.db2.gz IAOVGUQQNOUCLS-NSHDSACASA-N -1 1 380.403 1.425 20 0 GDADMM CC(C)[C@]1(C)C[C@H]1C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001574089363 948952337 /nfs/dbraw/zinc/95/23/37/948952337.db2.gz JNHYZIYEUBMZHL-UGSOOPFHSA-N -1 1 384.488 1.602 20 0 GDADMM CC(F)(F)CCC(=O)NC[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575238365 948953624 /nfs/dbraw/zinc/95/36/24/948953624.db2.gz LJGNKAISWIOMEM-LLVKDONJSA-N -1 1 380.403 1.425 20 0 GDADMM CC(F)(F)CCC(=O)NC[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575238365 948953638 /nfs/dbraw/zinc/95/36/38/948953638.db2.gz LJGNKAISWIOMEM-LLVKDONJSA-N -1 1 380.403 1.425 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nn1)CC2)C(F)F ZINC001573772246 948955512 /nfs/dbraw/zinc/95/55/12/948955512.db2.gz RSGCWTWNZGJQOU-LLVKDONJSA-N -1 1 392.414 1.423 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nn1)CC2)C(F)F ZINC001573772246 948955521 /nfs/dbraw/zinc/95/55/21/948955521.db2.gz RSGCWTWNZGJQOU-LLVKDONJSA-N -1 1 392.414 1.423 20 0 GDADMM CC(C)(C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C1CCCC1 ZINC001573772375 948959162 /nfs/dbraw/zinc/95/91/62/948959162.db2.gz BCWCQAJWEXWHQS-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C1CCCC1 ZINC001573772375 948959171 /nfs/dbraw/zinc/95/91/71/948959171.db2.gz BCWCQAJWEXWHQS-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM CC(F)(F)CCC(=O)NCC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575239459 948960325 /nfs/dbraw/zinc/96/03/25/948960325.db2.gz SQJXDHNAGCNUGB-NSHDSACASA-N -1 1 380.403 1.425 20 0 GDADMM CC(F)(F)CCC(=O)NCC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575239459 948960334 /nfs/dbraw/zinc/96/03/34/948960334.db2.gz SQJXDHNAGCNUGB-NSHDSACASA-N -1 1 380.403 1.425 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001575239921 948967962 /nfs/dbraw/zinc/96/79/62/948967962.db2.gz XZOPISGEUZKNPY-WDEREUQCSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001575239921 948967973 /nfs/dbraw/zinc/96/79/73/948967973.db2.gz XZOPISGEUZKNPY-WDEREUQCSA-N -1 1 380.403 1.789 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)C(F)F ZINC001573773024 948973381 /nfs/dbraw/zinc/97/33/81/948973381.db2.gz YNVKWFVDBHOQMD-NXEZZACHSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)C(F)F ZINC001573773024 948973386 /nfs/dbraw/zinc/97/33/86/948973386.db2.gz YNVKWFVDBHOQMD-NXEZZACHSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C(=O)NC[C@@H](CO)Nc1nccnc1-c1nnn[n-]1)C1CCCCC1 ZINC001573773751 948994694 /nfs/dbraw/zinc/99/46/94/948994694.db2.gz GUDOVXHVKTVYIA-ZDUSSCGKSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)(C(=O)NC[C@@H](CO)Nc1nccnc1-c1nn[n-]n1)C1CCCCC1 ZINC001573773751 948994713 /nfs/dbraw/zinc/99/47/13/948994713.db2.gz GUDOVXHVKTVYIA-ZDUSSCGKSA-N -1 1 388.476 1.152 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001575243230 948996349 /nfs/dbraw/zinc/99/63/49/948996349.db2.gz OGJFLYOWCFLZSP-XYPYZODXSA-N -1 1 380.403 1.931 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001575243230 948996360 /nfs/dbraw/zinc/99/63/60/948996360.db2.gz OGJFLYOWCFLZSP-XYPYZODXSA-N -1 1 380.403 1.931 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001573774066 949000052 /nfs/dbraw/zinc/00/00/52/949000052.db2.gz PXYHRMDQLKETRV-AWEZNQCLSA-N -1 1 378.440 1.329 20 0 GDADMM CC(C)c1nnsc1C(=O)N[C@@H](C)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574439862 949018361 /nfs/dbraw/zinc/01/83/61/949018361.db2.gz KPMVQRUUJCPJGD-IUCAKERBSA-N -1 1 388.461 1.251 20 0 GDADMM CC(C)c1nnsc1C(=O)N[C@@H](C)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574439862 949018380 /nfs/dbraw/zinc/01/83/80/949018380.db2.gz KPMVQRUUJCPJGD-IUCAKERBSA-N -1 1 388.461 1.251 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)CCCc1cccnc1 ZINC001574693109 949043873 /nfs/dbraw/zinc/04/38/73/949043873.db2.gz AKUPMHYYAYRJKW-CYBMUJFWSA-N -1 1 381.444 1.381 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)CCCc1cccnc1 ZINC001574693109 949043892 /nfs/dbraw/zinc/04/38/92/949043892.db2.gz AKUPMHYYAYRJKW-CYBMUJFWSA-N -1 1 381.444 1.381 20 0 GDADMM C[C@H](CN(C)C(=O)C(C)(C)CC(F)(F)F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574692939 949044998 /nfs/dbraw/zinc/04/49/98/949044998.db2.gz DOQRUNHAQITGSG-SECBINFHSA-N -1 1 386.382 1.894 20 0 GDADMM C[C@H](CN(C)C(=O)C(C)(C)CC(F)(F)F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574692939 949045018 /nfs/dbraw/zinc/04/50/18/949045018.db2.gz DOQRUNHAQITGSG-SECBINFHSA-N -1 1 386.382 1.894 20 0 GDADMM CC(C)c1nocc1C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCC1 ZINC001574441066 949047417 /nfs/dbraw/zinc/04/74/17/949047417.db2.gz ATGPPSMHUREXMV-UHFFFAOYSA-N -1 1 383.416 1.533 20 0 GDADMM CC(C)c1nocc1C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCC1 ZINC001574441066 949047433 /nfs/dbraw/zinc/04/74/33/949047433.db2.gz ATGPPSMHUREXMV-UHFFFAOYSA-N -1 1 383.416 1.533 20 0 GDADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001574092450 949058438 /nfs/dbraw/zinc/05/84/38/949058438.db2.gz RYXLMMHCHSNDOA-ZYKCCNLVSA-N -1 1 382.472 1.234 20 0 GDADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001574092450 949058457 /nfs/dbraw/zinc/05/84/57/949058457.db2.gz RYXLMMHCHSNDOA-ZYKCCNLVSA-N -1 1 382.472 1.234 20 0 GDADMM CC(C)(C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1)C1CCOCC1 ZINC001573779694 949066767 /nfs/dbraw/zinc/06/67/67/949066767.db2.gz MJFGAIPVXAOXPE-UHFFFAOYSA-N -1 1 386.460 1.170 20 0 GDADMM CC(C)(C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1)C1CCOCC1 ZINC001573779694 949066784 /nfs/dbraw/zinc/06/67/84/949066784.db2.gz MJFGAIPVXAOXPE-UHFFFAOYSA-N -1 1 386.460 1.170 20 0 GDADMM CC(C)c1nocc1C(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574442196 949091729 /nfs/dbraw/zinc/09/17/29/949091729.db2.gz LXSVYKDVYVKENQ-UHFFFAOYSA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1nocc1C(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574442196 949091747 /nfs/dbraw/zinc/09/17/47/949091747.db2.gz LXSVYKDVYVKENQ-UHFFFAOYSA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001574442186 949091788 /nfs/dbraw/zinc/09/17/88/949091788.db2.gz LEWIGQYUEIYJEA-LBPRGKRZSA-N -1 1 385.432 1.635 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001574442186 949091811 /nfs/dbraw/zinc/09/18/11/949091811.db2.gz LEWIGQYUEIYJEA-LBPRGKRZSA-N -1 1 385.432 1.635 20 0 GDADMM C[C@@H](CN(C)C(=O)C(C)(C)[C@H]1CCCCO1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574694742 949091824 /nfs/dbraw/zinc/09/18/24/949091824.db2.gz VWLSRHNQHFYMAW-GXTWGEPZSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CN(C)C(=O)C(C)(C)[C@H]1CCCCO1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574694742 949091851 /nfs/dbraw/zinc/09/18/51/949091851.db2.gz VWLSRHNQHFYMAW-GXTWGEPZSA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574442190 949092031 /nfs/dbraw/zinc/09/20/31/949092031.db2.gz LKKJRGVMLZKWJZ-NSHDSACASA-N -1 1 383.416 1.024 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574442190 949092049 /nfs/dbraw/zinc/09/20/49/949092049.db2.gz LKKJRGVMLZKWJZ-NSHDSACASA-N -1 1 383.416 1.024 20 0 GDADMM C[C@H](CN(C)C(=O)C(C)(C)c1ccccc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574695043 949100824 /nfs/dbraw/zinc/10/08/24/949100824.db2.gz YVUIGJYUSISHNR-CYBMUJFWSA-N -1 1 380.456 1.893 20 0 GDADMM C[C@H](CN(C)C(=O)C(C)(C)c1ccccc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574695043 949100833 /nfs/dbraw/zinc/10/08/33/949100833.db2.gz YVUIGJYUSISHNR-CYBMUJFWSA-N -1 1 380.456 1.893 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001573781471 949106373 /nfs/dbraw/zinc/10/63/73/949106373.db2.gz HNWRWTWZXBYHLN-VHSXEESVSA-N -1 1 398.393 1.942 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573781471 949106383 /nfs/dbraw/zinc/10/63/83/949106383.db2.gz HNWRWTWZXBYHLN-VHSXEESVSA-N -1 1 398.393 1.942 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)c1cccnc1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575249949 949106990 /nfs/dbraw/zinc/10/69/90/949106990.db2.gz CKFQXZONKUKKMD-NWDGAFQWSA-N -1 1 381.444 1.335 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)c1cccnc1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575249949 949107004 /nfs/dbraw/zinc/10/70/04/949107004.db2.gz CKFQXZONKUKKMD-NWDGAFQWSA-N -1 1 381.444 1.335 20 0 GDADMM CC(C)c1nocc1C(=O)N(C)CCCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574443454 949107514 /nfs/dbraw/zinc/10/75/14/949107514.db2.gz YMTSPXIHYTYURC-UHFFFAOYSA-N -1 1 385.432 1.367 20 0 GDADMM CC(C)c1nocc1C(=O)N(C)CCCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574443454 949107527 /nfs/dbraw/zinc/10/75/27/949107527.db2.gz YMTSPXIHYTYURC-UHFFFAOYSA-N -1 1 385.432 1.367 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)c1ccccc1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575250327 949110799 /nfs/dbraw/zinc/11/07/99/949110799.db2.gz DUXRJWPENMRQKB-QWHCGFSZSA-N -1 1 380.456 1.940 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)c1ccccc1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575250327 949110805 /nfs/dbraw/zinc/11/08/05/949110805.db2.gz DUXRJWPENMRQKB-QWHCGFSZSA-N -1 1 380.456 1.940 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)N1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001574093919 949123139 /nfs/dbraw/zinc/12/31/39/949123139.db2.gz TVSGFWKTVWUXJF-NXEZZACHSA-N -1 1 381.893 1.917 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCOCC1 ZINC001574094255 949131572 /nfs/dbraw/zinc/13/15/72/949131572.db2.gz YHXQJTOLGVKAJI-STQMWFEESA-N -1 1 386.460 1.026 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)CN(C)c1ccccc1 ZINC001574696461 949131673 /nfs/dbraw/zinc/13/16/73/949131673.db2.gz RAEZLMBUEVPADZ-ZDUSSCGKSA-N -1 1 381.444 1.100 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)CN(C)c1ccccc1 ZINC001574696461 949131683 /nfs/dbraw/zinc/13/16/83/949131683.db2.gz RAEZLMBUEVPADZ-ZDUSSCGKSA-N -1 1 381.444 1.100 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCOCC1 ZINC001574094255 949131592 /nfs/dbraw/zinc/13/15/92/949131592.db2.gz YHXQJTOLGVKAJI-STQMWFEESA-N -1 1 386.460 1.026 20 0 GDADMM C[C@H](NC(=O)C1(C)CCCC1)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575251282 949132946 /nfs/dbraw/zinc/13/29/46/949132946.db2.gz AHYQGPZTSYSIAX-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccc2c(c1)CCC2 ZINC001574696792 949142003 /nfs/dbraw/zinc/14/20/03/949142003.db2.gz UNFCBQAFKKWTOJ-GFCCVEGCSA-N -1 1 378.440 1.766 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccc2c(c1)CCC2 ZINC001574696792 949142022 /nfs/dbraw/zinc/14/20/22/949142022.db2.gz UNFCBQAFKKWTOJ-GFCCVEGCSA-N -1 1 378.440 1.766 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1 ZINC001573783165 949142979 /nfs/dbraw/zinc/14/29/79/949142979.db2.gz VEHBIFBTEKNMKE-CQSZACIVSA-N -1 1 378.440 1.329 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1 ZINC001573783165 949142993 /nfs/dbraw/zinc/14/29/93/949142993.db2.gz VEHBIFBTEKNMKE-CQSZACIVSA-N -1 1 378.440 1.329 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)NC1(CNc2cncc(-c3nnn[n-]3)n2)CCOCC1 ZINC001574094975 949143460 /nfs/dbraw/zinc/14/34/60/949143460.db2.gz WZIPZZHHNQGFQR-STQMWFEESA-N -1 1 386.460 1.026 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)NC1(CNc2cncc(-c3nn[n-]n3)n2)CCOCC1 ZINC001574094975 949143476 /nfs/dbraw/zinc/14/34/76/949143476.db2.gz WZIPZZHHNQGFQR-STQMWFEESA-N -1 1 386.460 1.026 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1 ZINC001574447087 949151089 /nfs/dbraw/zinc/15/10/89/949151089.db2.gz FTFADYYMUIYSRK-NSHDSACASA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1 ZINC001574447087 949151099 /nfs/dbraw/zinc/15/10/99/949151099.db2.gz FTFADYYMUIYSRK-NSHDSACASA-N -1 1 383.416 1.167 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H](C)Oc1ccccc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574697738 949160447 /nfs/dbraw/zinc/16/04/47/949160447.db2.gz BMOFYJVYCSASEO-CHWSQXEVSA-N -1 1 382.428 1.383 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H](C)Oc1ccccc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574697738 949160464 /nfs/dbraw/zinc/16/04/64/949160464.db2.gz BMOFYJVYCSASEO-CHWSQXEVSA-N -1 1 382.428 1.383 20 0 GDADMM CC(C)c1oncc1C(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574448015 949173656 /nfs/dbraw/zinc/17/36/56/949173656.db2.gz BNIICZMUGBGCPB-ZWNOBZJWSA-N -1 1 383.416 1.341 20 0 GDADMM CC(C)c1oncc1C(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574448015 949173663 /nfs/dbraw/zinc/17/36/63/949173663.db2.gz BNIICZMUGBGCPB-ZWNOBZJWSA-N -1 1 383.416 1.341 20 0 GDADMM CC(C)c1oncc1C(=O)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574448001 949174354 /nfs/dbraw/zinc/17/43/54/949174354.db2.gz BBEGVVUDHGLVDL-NSHDSACASA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1oncc1C(=O)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574448001 949174367 /nfs/dbraw/zinc/17/43/67/949174367.db2.gz BBEGVVUDHGLVDL-NSHDSACASA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1oncc1C(=O)N1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574448162 949177044 /nfs/dbraw/zinc/17/70/44/949177044.db2.gz DPELSARAZHHUIV-NSHDSACASA-N -1 1 383.416 1.342 20 0 GDADMM CC(C)c1oncc1C(=O)N1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574448162 949177050 /nfs/dbraw/zinc/17/70/50/949177050.db2.gz DPELSARAZHHUIV-NSHDSACASA-N -1 1 383.416 1.342 20 0 GDADMM CC(C)c1oncc1C(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001574448057 949178397 /nfs/dbraw/zinc/17/83/97/949178397.db2.gz DFGOKAIDARMUDH-LBPRGKRZSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1oncc1C(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001574448057 949178418 /nfs/dbraw/zinc/17/84/18/949178418.db2.gz DFGOKAIDARMUDH-LBPRGKRZSA-N -1 1 383.416 1.389 20 0 GDADMM C[C@@H](NC(=O)C1(c2cccnc2)CC1)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575253183 949181435 /nfs/dbraw/zinc/18/14/35/949181435.db2.gz JCNBQQPDNKCWHF-VXGBXAGGSA-N -1 1 379.428 1.089 20 0 GDADMM C[C@@H](NC(=O)C1(c2cccnc2)CC1)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575253183 949181442 /nfs/dbraw/zinc/18/14/42/949181442.db2.gz JCNBQQPDNKCWHF-VXGBXAGGSA-N -1 1 379.428 1.089 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccccc1 ZINC001573787621 949188190 /nfs/dbraw/zinc/18/81/90/949188190.db2.gz ZNQLDMILKICQRJ-HDJSIYSDSA-N -1 1 378.440 1.694 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccccc1 ZINC001573787621 949188205 /nfs/dbraw/zinc/18/82/05/949188205.db2.gz ZNQLDMILKICQRJ-HDJSIYSDSA-N -1 1 378.440 1.694 20 0 GDADMM CC(C)c1oncc1C(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574448826 949191069 /nfs/dbraw/zinc/19/10/69/949191069.db2.gz MXVWMHPYZJCIGA-LLVKDONJSA-N -1 1 383.416 1.342 20 0 GDADMM CC(C)c1oncc1C(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574448826 949191082 /nfs/dbraw/zinc/19/10/82/949191082.db2.gz MXVWMHPYZJCIGA-LLVKDONJSA-N -1 1 383.416 1.342 20 0 GDADMM C[C@@H](CNC(=O)Cc1c[nH]c2ccccc12)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574935595 949198470 /nfs/dbraw/zinc/19/84/70/949198470.db2.gz CYJYPNSWQYACEU-LBPRGKRZSA-N -1 1 391.439 1.322 20 0 GDADMM CC(C)(C)C(=O)N1CCC([C@@H]2CCCN2c2nccnc2-c2nnn[n-]2)CC1 ZINC001573791533 949221495 /nfs/dbraw/zinc/22/14/95/949221495.db2.gz BQVSJFCDRJPSBP-AWEZNQCLSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)(C)C(=O)N1CCC([C@@H]2CCCN2c2nccnc2-c2nn[n-]n2)CC1 ZINC001573791533 949221513 /nfs/dbraw/zinc/22/15/13/949221513.db2.gz BQVSJFCDRJPSBP-AWEZNQCLSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](NC(=O)C1(C2CC2)CC1)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575255119 949222788 /nfs/dbraw/zinc/22/27/88/949222788.db2.gz PNHCRVCWASUZOM-CHWSQXEVSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](NC(=O)C1(C2CC2)CC1)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575255119 949222813 /nfs/dbraw/zinc/22/28/13/949222813.db2.gz PNHCRVCWASUZOM-CHWSQXEVSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(F)cc1F)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574937365 949227495 /nfs/dbraw/zinc/22/74/95/949227495.db2.gz OVFSOLZASFLJKU-JTQLQIEISA-N -1 1 388.382 1.119 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(F)cc1F)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574937365 949227511 /nfs/dbraw/zinc/22/75/11/949227511.db2.gz OVFSOLZASFLJKU-JTQLQIEISA-N -1 1 388.382 1.119 20 0 GDADMM CC(C)(C)C(=O)N1CCC(N(CC2CC2)c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573792156 949239890 /nfs/dbraw/zinc/23/98/90/949239890.db2.gz MAYXWCLBBGVSTA-UHFFFAOYSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)(C)C(=O)N1CCC(N(CC2CC2)c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573792156 949239912 /nfs/dbraw/zinc/23/99/12/949239912.db2.gz MAYXWCLBBGVSTA-UHFFFAOYSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)c1scnc1C(=O)N(C)[C@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001574451714 949242757 /nfs/dbraw/zinc/24/27/57/949242757.db2.gz VQBJIWUIASSHEG-SNVBAGLBSA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)c1scnc1C(=O)N(C)[C@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001574451714 949242783 /nfs/dbraw/zinc/24/27/83/949242783.db2.gz VQBJIWUIASSHEG-SNVBAGLBSA-N -1 1 387.473 1.809 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(Cl)s1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574938435 949244274 /nfs/dbraw/zinc/24/42/74/949244274.db2.gz VXJVCHWICGKKGH-VIFPVBQESA-N -1 1 392.876 1.555 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(Cl)s1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574938435 949244297 /nfs/dbraw/zinc/24/42/97/949244297.db2.gz VXJVCHWICGKKGH-VIFPVBQESA-N -1 1 392.876 1.555 20 0 GDADMM CC(C)(C)C(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1nccnc1-c1nnn[n-]1 ZINC001573792357 949247831 /nfs/dbraw/zinc/24/78/31/949247831.db2.gz OTLVZRTYNDZYIF-FQUUOJAGSA-N -1 1 382.472 1.376 20 0 GDADMM CC(C)(C)C(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1nccnc1-c1nn[n-]n1 ZINC001573792357 949247847 /nfs/dbraw/zinc/24/78/47/949247847.db2.gz OTLVZRTYNDZYIF-FQUUOJAGSA-N -1 1 382.472 1.376 20 0 GDADMM C[C@H](CN(C)C(=O)C1(c2ccccc2)CC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574701486 949262824 /nfs/dbraw/zinc/26/28/24/949262824.db2.gz BCARHIQQOFTVQP-CYBMUJFWSA-N -1 1 378.440 1.069 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@]1(F)CCOC1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574702771 949295216 /nfs/dbraw/zinc/29/52/16/949295216.db2.gz LOVYQVMVWCLPFC-CPFSXVBKSA-N -1 1 389.844 1.364 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@]1(F)CCOC1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574702771 949295236 /nfs/dbraw/zinc/29/52/36/949295236.db2.gz LOVYQVMVWCLPFC-CPFSXVBKSA-N -1 1 389.844 1.364 20 0 GDADMM C[C@H]1CCC[C@H]1CC(=O)NCC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001576153756 949296172 /nfs/dbraw/zinc/29/61/72/949296172.db2.gz ATPVAMGSLBQJKN-ZFWWWQNUSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H]1CCC[C@H]1CC(=O)NCC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001576153756 949296186 /nfs/dbraw/zinc/29/61/86/949296186.db2.gz ATPVAMGSLBQJKN-ZFWWWQNUSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)CC(=O)N1CCCC[C@@H]1[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574108831 949307082 /nfs/dbraw/zinc/30/70/82/949307082.db2.gz RSEQHNBQQDMLGR-GOEBONIOSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CC(=O)N1CCCC[C@@H]1[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574108831 949307085 /nfs/dbraw/zinc/30/70/85/949307085.db2.gz RSEQHNBQQDMLGR-GOEBONIOSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](NC(=O)C1=COCCC1)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575259210 949322559 /nfs/dbraw/zinc/32/25/59/949322559.db2.gz NUNRILAPDIXWIB-QWHCGFSZSA-N -1 1 384.444 1.072 20 0 GDADMM C[C@H](NC(=O)C1=COCCC1)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575259210 949322582 /nfs/dbraw/zinc/32/25/82/949322582.db2.gz NUNRILAPDIXWIB-QWHCGFSZSA-N -1 1 384.444 1.072 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(C2CC2)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574941939 949324921 /nfs/dbraw/zinc/32/49/21/949324921.db2.gz VEWUZTZYZSXQFV-LBPRGKRZSA-N -1 1 378.440 1.693 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(C2CC2)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574941939 949324940 /nfs/dbraw/zinc/32/49/40/949324940.db2.gz VEWUZTZYZSXQFV-LBPRGKRZSA-N -1 1 378.440 1.693 20 0 GDADMM CC(C)n1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3nccnc3-c3nnn[n-]3)C2)n1 ZINC001574457789 949330260 /nfs/dbraw/zinc/33/02/60/949330260.db2.gz OEGNJAIBJJZULX-DGCLKSJQSA-N -1 1 382.432 1.007 20 0 GDADMM CC(C)n1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3nccnc3-c3nn[n-]n3)C2)n1 ZINC001574457789 949330275 /nfs/dbraw/zinc/33/02/75/949330275.db2.gz OEGNJAIBJJZULX-DGCLKSJQSA-N -1 1 382.432 1.007 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc2c(c1)CCC2)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574942152 949340169 /nfs/dbraw/zinc/34/01/69/949340169.db2.gz WNOAKBDMLBBHNZ-ZDUSSCGKSA-N -1 1 392.467 1.552 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc2c(c1)CCC2)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574942152 949340186 /nfs/dbraw/zinc/34/01/86/949340186.db2.gz WNOAKBDMLBBHNZ-ZDUSSCGKSA-N -1 1 392.467 1.552 20 0 GDADMM CC(C)n1ccc(C(=O)NC[C@H]2C[C@H](Nc3nccnc3-c3nnn[n-]3)C2)n1 ZINC001574458613 949343167 /nfs/dbraw/zinc/34/31/67/949343167.db2.gz UNBWTPBBSRVMJF-HAQNSBGRSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1ccc(C(=O)NC[C@H]2C[C@H](Nc3nccnc3-c3nn[n-]n3)C2)n1 ZINC001574458613 949343189 /nfs/dbraw/zinc/34/31/89/949343189.db2.gz UNBWTPBBSRVMJF-HAQNSBGRSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cnco1 ZINC001576154536 949345271 /nfs/dbraw/zinc/34/52/71/949345271.db2.gz DMOZUXGQMHEFTP-APPDUMDISA-N -1 1 383.416 1.436 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cnco1 ZINC001576154536 949345288 /nfs/dbraw/zinc/34/52/88/949345288.db2.gz DMOZUXGQMHEFTP-APPDUMDISA-N -1 1 383.416 1.436 20 0 GDADMM CC(C)n1cccc1C(=O)N(C)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574459365 949353556 /nfs/dbraw/zinc/35/35/56/949353556.db2.gz CATIFPYPDGGXLQ-CYBMUJFWSA-N -1 1 381.444 1.390 20 0 GDADMM CC(C)n1cccc1C(=O)N(C)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574459365 949353580 /nfs/dbraw/zinc/35/35/80/949353580.db2.gz CATIFPYPDGGXLQ-CYBMUJFWSA-N -1 1 381.444 1.390 20 0 GDADMM C[C@@H]1CCC[C@@H](C(=O)N(C)C2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001576154658 949356316 /nfs/dbraw/zinc/35/63/16/949356316.db2.gz QWYGSKWTANOOCD-ZIAGYGMSSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCC[C@@H](C(=O)N(C)C2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001576154658 949356337 /nfs/dbraw/zinc/35/63/37/949356337.db2.gz QWYGSKWTANOOCD-ZIAGYGMSSA-N -1 1 384.488 1.910 20 0 GDADMM CC1=CC[C@](C)(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575864273 949358441 /nfs/dbraw/zinc/35/84/41/949358441.db2.gz HBNRDGBPBOKRKI-LIRRHRJNSA-N -1 1 382.472 1.878 20 0 GDADMM CC(C)n1cccc1C(=O)N(C)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574459811 949364141 /nfs/dbraw/zinc/36/41/41/949364141.db2.gz LCYLYHRWUXIRIO-CYBMUJFWSA-N -1 1 381.444 1.390 20 0 GDADMM CC(C)n1cccc1C(=O)N(C)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574459811 949364162 /nfs/dbraw/zinc/36/41/62/949364162.db2.gz LCYLYHRWUXIRIO-CYBMUJFWSA-N -1 1 381.444 1.390 20 0 GDADMM C[C@@H](NC(=O)CC(C)(F)F)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575262436 949375084 /nfs/dbraw/zinc/37/50/84/949375084.db2.gz AJISXZZATGUHLK-GHMZBOCLSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](NC(=O)CC(C)(F)F)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575262436 949375107 /nfs/dbraw/zinc/37/51/07/949375107.db2.gz AJISXZZATGUHLK-GHMZBOCLSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2(C)CC(F)(F)C2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575865403 949375914 /nfs/dbraw/zinc/37/59/14/949375914.db2.gz AJMMXFUKUYRJMZ-MNOVXSKESA-N -1 1 392.414 1.566 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2(C)CC(F)(F)C2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575865403 949375926 /nfs/dbraw/zinc/37/59/26/949375926.db2.gz AJMMXFUKUYRJMZ-MNOVXSKESA-N -1 1 392.414 1.566 20 0 GDADMM CC(C)CC(=O)N[C@@H]1[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)[C@H]2C1(C)C ZINC001574111425 949377603 /nfs/dbraw/zinc/37/76/03/949377603.db2.gz HKINJLGUKHBGNV-CSMYWGQOSA-N -1 1 384.488 1.812 20 0 GDADMM CC(C)CC(=O)N[C@@H]1[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)[C@H]2C1(C)C ZINC001574111425 949377628 /nfs/dbraw/zinc/37/76/28/949377628.db2.gz HKINJLGUKHBGNV-CSMYWGQOSA-N -1 1 384.488 1.812 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1CCCC(F)(F)C1)Nc1nccnc1-c1nnn[n-]1 ZINC001574704371 949382002 /nfs/dbraw/zinc/38/20/02/949382002.db2.gz BSGUKPUKMDPHRR-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1CCCC(F)(F)C1)Nc1nccnc1-c1nn[n-]n1 ZINC001574704371 949382022 /nfs/dbraw/zinc/38/20/22/949382022.db2.gz BSGUKPUKMDPHRR-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)n1cccc1C(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574463881 949389038 /nfs/dbraw/zinc/38/90/38/949389038.db2.gz FCBXKFFQQPOWKF-UHFFFAOYSA-N -1 1 381.444 1.438 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccn[nH]1 ZINC001576155366 949398960 /nfs/dbraw/zinc/39/89/60/949398960.db2.gz INCCSHDMJKLETN-GTNSWQLSSA-N -1 1 382.432 1.171 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccn[nH]1 ZINC001576155366 949398982 /nfs/dbraw/zinc/39/89/82/949398982.db2.gz INCCSHDMJKLETN-GTNSWQLSSA-N -1 1 382.432 1.171 20 0 GDADMM C[C@H]1CCC[C@H]1CC(=O)N(C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576155527 949408671 /nfs/dbraw/zinc/40/86/71/949408671.db2.gz VDGYDPBOGPHVLX-KBPBESRZSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CCC[C@H]1CC(=O)N(C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576155527 949408683 /nfs/dbraw/zinc/40/86/83/949408683.db2.gz VDGYDPBOGPHVLX-KBPBESRZSA-N -1 1 384.488 1.910 20 0 GDADMM CC1(C(=O)N2CCC(CNc3nccnc3-c3nnn[n-]3)CC2)CC(F)(F)C1 ZINC001575532932 949409862 /nfs/dbraw/zinc/40/98/62/949409862.db2.gz DAPIUESUOKDRLS-UHFFFAOYSA-N -1 1 392.414 1.743 20 0 GDADMM CC1(C(=O)N2CCC(CNc3nccnc3-c3nn[n-]n3)CC2)CC(F)(F)C1 ZINC001575532932 949409879 /nfs/dbraw/zinc/40/98/79/949409879.db2.gz DAPIUESUOKDRLS-UHFFFAOYSA-N -1 1 392.414 1.743 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1CC1(F)F)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574705489 949425563 /nfs/dbraw/zinc/42/55/63/949425563.db2.gz UBUYHKZPHFFUBQ-NTSWFWBYSA-N -1 1 377.808 1.891 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1CC1(F)F)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574705489 949425574 /nfs/dbraw/zinc/42/55/74/949425574.db2.gz UBUYHKZPHFFUBQ-NTSWFWBYSA-N -1 1 377.808 1.891 20 0 GDADMM CC1=CC[C@](C)(C(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575866968 949426112 /nfs/dbraw/zinc/42/61/12/949426112.db2.gz WERKPYDHRNVGFD-NJSLBKSFSA-N -1 1 380.456 1.583 20 0 GDADMM CC1=CC[C@](C)(C(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575866968 949426124 /nfs/dbraw/zinc/42/61/24/949426124.db2.gz WERKPYDHRNVGFD-NJSLBKSFSA-N -1 1 380.456 1.583 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2(C(F)F)CCC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575866907 949426468 /nfs/dbraw/zinc/42/64/68/949426468.db2.gz IOVTWRGLZDPDRZ-QWRGUYRKSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2(C(F)F)CCC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575866907 949426478 /nfs/dbraw/zinc/42/64/78/949426478.db2.gz IOVTWRGLZDPDRZ-QWRGUYRKSA-N -1 1 392.414 1.566 20 0 GDADMM CC(C)(C)C(=O)NC[C@@H]1Cc2ccccc2CN1c1cncc(-c2nnn[n-]2)n1 ZINC001573802896 949429390 /nfs/dbraw/zinc/42/93/90/949429390.db2.gz LATIPPHGSPIDBQ-HNNXBMFYSA-N -1 1 392.467 1.750 20 0 GDADMM CC(C)(C)C(=O)NC[C@@H]1Cc2ccccc2CN1c1cncc(-c2nn[n-]n2)n1 ZINC001573802896 949429402 /nfs/dbraw/zinc/42/94/02/949429402.db2.gz LATIPPHGSPIDBQ-HNNXBMFYSA-N -1 1 392.467 1.750 20 0 GDADMM CC(C)n1cccc1C(=O)NC1CC(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001574465192 949435205 /nfs/dbraw/zinc/43/52/05/949435205.db2.gz SBEGQYNTFAFUFX-UHFFFAOYSA-N -1 1 381.444 1.660 20 0 GDADMM CC(C)n1cccc1C(=O)NC1CC(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001574465192 949435238 /nfs/dbraw/zinc/43/52/38/949435238.db2.gz SBEGQYNTFAFUFX-UHFFFAOYSA-N -1 1 381.444 1.660 20 0 GDADMM CC(C)n1cccc1C(=O)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001574465610 949438006 /nfs/dbraw/zinc/43/80/06/949438006.db2.gz SMADBUFGYLIYIE-CYBMUJFWSA-N -1 1 381.444 1.613 20 0 GDADMM CC(C)n1cccc1C(=O)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001574465610 949438019 /nfs/dbraw/zinc/43/80/19/949438019.db2.gz SMADBUFGYLIYIE-CYBMUJFWSA-N -1 1 381.444 1.613 20 0 GDADMM CC(C)(C)C(=O)NC[C@H]1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)CCO1 ZINC001573803298 949440815 /nfs/dbraw/zinc/44/08/15/949440815.db2.gz QBKICQBPWGXJEM-QMMMGPOBSA-N -1 1 385.881 1.344 20 0 GDADMM CC(C)n1ncc(C(=O)N[C@@H](C)CNc2nccnc2-c2nnn[n-]2)c1Cl ZINC001574469134 949471497 /nfs/dbraw/zinc/47/14/97/949471497.db2.gz XHOVXVMPFWQFIN-VIFPVBQESA-N -1 1 390.839 1.318 20 0 GDADMM CC(C)n1ncc(C(=O)N[C@@H](C)CNc2nccnc2-c2nn[n-]n2)c1Cl ZINC001574469134 949471514 /nfs/dbraw/zinc/47/15/14/949471514.db2.gz XHOVXVMPFWQFIN-VIFPVBQESA-N -1 1 390.839 1.318 20 0 GDADMM C[C@]1(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)CCc2ccccc21 ZINC001575536805 949475984 /nfs/dbraw/zinc/47/59/84/949475984.db2.gz MFSWUXQUABHOFM-XOBRGWDASA-N -1 1 390.451 1.574 20 0 GDADMM C[C@]1(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)CCc2ccccc21 ZINC001575536805 949476001 /nfs/dbraw/zinc/47/60/01/949476001.db2.gz MFSWUXQUABHOFM-XOBRGWDASA-N -1 1 390.451 1.574 20 0 GDADMM C[C@H](NC(=O)CCC(F)F)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575266446 949477990 /nfs/dbraw/zinc/47/79/90/949477990.db2.gz CZEXOVVTRBXKCG-WDEREUQCSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1CCCCO1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574707873 949480248 /nfs/dbraw/zinc/48/02/48/949480248.db2.gz RHVMBRPBXQRSDV-RKDXNWHRSA-N -1 1 385.881 1.805 20 0 GDADMM CC(C)(C)C(=O)NCc1ccc(CCNc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001573805952 949481329 /nfs/dbraw/zinc/48/13/29/949481329.db2.gz FHWSQBAKLJTVAK-UHFFFAOYSA-N -1 1 380.456 1.974 20 0 GDADMM CC(C)(C)C(=O)NCc1ccc(CCNc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001573805952 949481338 /nfs/dbraw/zinc/48/13/38/949481338.db2.gz FHWSQBAKLJTVAK-UHFFFAOYSA-N -1 1 380.456 1.974 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cocn1 ZINC001576157386 949481274 /nfs/dbraw/zinc/48/12/74/949481274.db2.gz QBYBJBLOWCFSKI-APPDUMDISA-N -1 1 383.416 1.436 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cocn1 ZINC001576157386 949481285 /nfs/dbraw/zinc/48/12/85/949481285.db2.gz QBYBJBLOWCFSKI-APPDUMDISA-N -1 1 383.416 1.436 20 0 GDADMM CC(C)n1nccc1C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCC1 ZINC001574470403 949497186 /nfs/dbraw/zinc/49/71/86/949497186.db2.gz PDHQXSKTVYEMKG-UHFFFAOYSA-N -1 1 382.432 1.199 20 0 GDADMM CC(C)n1nccc1C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCC1 ZINC001574470403 949497197 /nfs/dbraw/zinc/49/71/97/949497197.db2.gz PDHQXSKTVYEMKG-UHFFFAOYSA-N -1 1 382.432 1.199 20 0 GDADMM CC1(C(=O)N2CCC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CCOCC1 ZINC001575538354 949516828 /nfs/dbraw/zinc/51/68/28/949516828.db2.gz FSTMLTYNAHSATQ-ZDUSSCGKSA-N -1 1 386.460 1.124 20 0 GDADMM CC1(C(=O)N2CCC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CCOCC1 ZINC001575538354 949516851 /nfs/dbraw/zinc/51/68/51/949516851.db2.gz FSTMLTYNAHSATQ-ZDUSSCGKSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@H](NC(=O)CCC(F)F)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575268531 949521651 /nfs/dbraw/zinc/52/16/51/949521651.db2.gz NJDRULFBRBHFCJ-QWRGUYRKSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H](NC(=O)CCC(F)F)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575268531 949521667 /nfs/dbraw/zinc/52/16/67/949521667.db2.gz NJDRULFBRBHFCJ-QWRGUYRKSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H](CN(C)C(=O)CC(C)(C)CC(F)F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574710974 949524443 /nfs/dbraw/zinc/52/44/43/949524443.db2.gz CUGOMIIMOGHKIK-SNVBAGLBSA-N -1 1 382.419 1.987 20 0 GDADMM C[C@H](CN(C)C(=O)CC(C)(C)CC(F)F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574710974 949524458 /nfs/dbraw/zinc/52/44/58/949524458.db2.gz CUGOMIIMOGHKIK-SNVBAGLBSA-N -1 1 382.419 1.987 20 0 GDADMM CC1(C(=O)N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CC(F)(F)C1 ZINC001575538415 949524651 /nfs/dbraw/zinc/52/46/51/949524651.db2.gz GYBAAEBIZVFXBD-SNVBAGLBSA-N -1 1 378.387 1.495 20 0 GDADMM CC1(C(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CC(F)(F)C1 ZINC001575538415 949524661 /nfs/dbraw/zinc/52/46/61/949524661.db2.gz GYBAAEBIZVFXBD-SNVBAGLBSA-N -1 1 378.387 1.495 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2C(C)(C)C2(C)C)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575872172 949540115 /nfs/dbraw/zinc/54/01/15/949540115.db2.gz HAUSKKYUDCMCNB-VXGBXAGGSA-N -1 1 384.488 1.812 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2C(C)(C)C2(C)C)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575872172 949540173 /nfs/dbraw/zinc/54/01/73/949540173.db2.gz HAUSKKYUDCMCNB-VXGBXAGGSA-N -1 1 384.488 1.812 20 0 GDADMM CC(C)CC(=O)NCc1cccc2c1CCN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001574123294 949549051 /nfs/dbraw/zinc/54/90/51/949549051.db2.gz RMVRZJHJZURBLF-UHFFFAOYSA-N -1 1 392.467 1.882 20 0 GDADMM CC(C)CC(=O)NCc1cccc2c1CCN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001574123294 949549063 /nfs/dbraw/zinc/54/90/63/949549063.db2.gz RMVRZJHJZURBLF-UHFFFAOYSA-N -1 1 392.467 1.882 20 0 GDADMM C[C@H](CC(=O)N(C)C1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001574472961 949558655 /nfs/dbraw/zinc/55/86/55/949558655.db2.gz XBIGLMDDCRYYEU-XNWIYYODSA-N -1 1 384.366 1.647 20 0 GDADMM C[C@H](CC(=O)N(C)C1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001574472961 949558675 /nfs/dbraw/zinc/55/86/75/949558675.db2.gz XBIGLMDDCRYYEU-XNWIYYODSA-N -1 1 384.366 1.647 20 0 GDADMM C[C@@H](CNC(=O)[C@@H](C)Cc1ccccc1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574951407 949558805 /nfs/dbraw/zinc/55/88/05/949558805.db2.gz ZVRLWDZEROJTMG-KGLIPLIRSA-N -1 1 380.456 1.700 20 0 GDADMM C[C@@H](CNC(=O)[C@@H](C)Cc1ccccc1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574951407 949558824 /nfs/dbraw/zinc/55/88/24/949558824.db2.gz ZVRLWDZEROJTMG-KGLIPLIRSA-N -1 1 380.456 1.700 20 0 GDADMM CC1(C(=O)N2CC[C@H]3[C@@H](CCN3c3nccnc3-c3nnn[n-]3)C2)CCCC1 ZINC001575540087 949561930 /nfs/dbraw/zinc/56/19/30/949561930.db2.gz UUAKELHPQGYWGA-KBPBESRZSA-N -1 1 382.472 1.664 20 0 GDADMM CC1(C(=O)N2CC[C@H]3[C@@H](CCN3c3nccnc3-c3nn[n-]n3)C2)CCCC1 ZINC001575540087 949561955 /nfs/dbraw/zinc/56/19/55/949561955.db2.gz UUAKELHPQGYWGA-KBPBESRZSA-N -1 1 382.472 1.664 20 0 GDADMM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1)CC(C)(C)C ZINC001574475764 949570552 /nfs/dbraw/zinc/57/05/52/949570552.db2.gz BUVRGZPPELTMSK-OLZOCXBDSA-N -1 1 390.492 1.350 20 0 GDADMM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1)CC(C)(C)C ZINC001574475764 949570567 /nfs/dbraw/zinc/57/05/67/949570567.db2.gz BUVRGZPPELTMSK-OLZOCXBDSA-N -1 1 390.492 1.350 20 0 GDADMM C[C@H]1[C@H](NC(=O)CC2CC(F)(F)C2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575873502 949580771 /nfs/dbraw/zinc/58/07/71/949580771.db2.gz POPPLIXXOZWJKU-CMPLNLGQSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H]1[C@H](NC(=O)CC2CC(F)(F)C2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575873502 949580783 /nfs/dbraw/zinc/58/07/83/949580783.db2.gz POPPLIXXOZWJKU-CMPLNLGQSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@@H](NC(=O)CCC(F)F)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575270318 949587276 /nfs/dbraw/zinc/58/72/76/949587276.db2.gz ZGZRWQMRYYBTOW-MNOVXSKESA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](NC(=O)CCC(F)F)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575270318 949587287 /nfs/dbraw/zinc/58/72/87/949587287.db2.gz ZGZRWQMRYYBTOW-MNOVXSKESA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H](CC(=O)N(C)CCCN(C)c1nccnc1-c1nnn[n-]1)[C@H]1CCCO1 ZINC001574476276 949593414 /nfs/dbraw/zinc/59/34/14/949593414.db2.gz FUFBWYFLNYDMSW-ZIAGYGMSSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@H](CC(=O)N(C)CCCN(C)c1nccnc1-c1nn[n-]n1)[C@H]1CCCO1 ZINC001574476276 949593427 /nfs/dbraw/zinc/59/34/27/949593427.db2.gz FUFBWYFLNYDMSW-ZIAGYGMSSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2C=CC=CC=C2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575874098 949602385 /nfs/dbraw/zinc/60/23/85/949602385.db2.gz REGOFPALLXQYQF-UKRRQHHQSA-N -1 1 378.440 1.429 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2C=CC=CC=C2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575874098 949602391 /nfs/dbraw/zinc/60/23/91/949602391.db2.gz REGOFPALLXQYQF-UKRRQHHQSA-N -1 1 378.440 1.429 20 0 GDADMM C[C@@H]1CCCC[C@H]1CC(=O)NCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001576167295 949607671 /nfs/dbraw/zinc/60/76/71/949607671.db2.gz CFGGQZKXVXJDEY-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCCC[C@H]1CC(=O)NCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001576167295 949607685 /nfs/dbraw/zinc/60/76/85/949607685.db2.gz CFGGQZKXVXJDEY-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C(=O)N2CCCC[C@H]2[C@H]2CCCN2c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001575546812 949612542 /nfs/dbraw/zinc/61/25/42/949612542.db2.gz RVCAWWUZJGNQMF-CABCVRRESA-N -1 1 382.472 1.807 20 0 GDADMM CC1(C(=O)N2CCCC[C@H]2[C@H]2CCCN2c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001575546812 949612554 /nfs/dbraw/zinc/61/25/54/949612554.db2.gz RVCAWWUZJGNQMF-CABCVRRESA-N -1 1 382.472 1.807 20 0 GDADMM C[C@]1(C(=O)N2CCCCC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CCOC1 ZINC001575546925 949616543 /nfs/dbraw/zinc/61/65/43/949616543.db2.gz SWNDPKDNJAPBBZ-ACJLOTCBSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@]1(C(=O)N2CCCCC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CCOC1 ZINC001575546925 949616552 /nfs/dbraw/zinc/61/65/52/949616552.db2.gz SWNDPKDNJAPBBZ-ACJLOTCBSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1)CNc1nccnc1-c1nnn[n-]1 ZINC001574957862 949637007 /nfs/dbraw/zinc/63/70/07/949637007.db2.gz BBUKSAAVBJDOQB-VHDGCEQUSA-N -1 1 378.440 1.625 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1)CNc1nccnc1-c1nn[n-]n1 ZINC001574957862 949637023 /nfs/dbraw/zinc/63/70/23/949637023.db2.gz BBUKSAAVBJDOQB-VHDGCEQUSA-N -1 1 378.440 1.625 20 0 GDADMM C[C@H]1CCCN(C(=O)CC(C)(F)F)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576168456 949639413 /nfs/dbraw/zinc/63/94/13/949639413.db2.gz UQABQVHDZIZVTR-CMPLNLGQSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H]1CCCN(C(=O)CC(C)(F)F)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576168456 949639426 /nfs/dbraw/zinc/63/94/26/949639426.db2.gz UQABQVHDZIZVTR-CMPLNLGQSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H]1[C@H](NC(=O)CCC(C)(F)F)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575876219 949640234 /nfs/dbraw/zinc/64/02/34/949640234.db2.gz XFOCOGBPXOBPKZ-WDEREUQCSA-N -1 1 380.403 1.566 20 0 GDADMM C[C@H]1[C@H](NC(=O)CCC(C)(F)F)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575876219 949640245 /nfs/dbraw/zinc/64/02/45/949640245.db2.gz XFOCOGBPXOBPKZ-WDEREUQCSA-N -1 1 380.403 1.566 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)COC2CCCC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575876131 949640321 /nfs/dbraw/zinc/64/03/21/949640321.db2.gz JDSUOHXIVACXCY-OCCSQVGLSA-N -1 1 386.460 1.089 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@H]1CCCC1(F)F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574715206 949645729 /nfs/dbraw/zinc/64/57/29/949645729.db2.gz HVKTWLQWOYKVDH-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@H]1CCCC1(F)F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574715206 949645745 /nfs/dbraw/zinc/64/57/45/949645745.db2.gz HVKTWLQWOYKVDH-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H]1Cc2ccccc21 ZINC001573815192 949648861 /nfs/dbraw/zinc/64/88/61/949648861.db2.gz GVZZQPGIGSIVFY-GJZGRUSLSA-N -1 1 392.467 1.361 20 0 GDADMM C[C@@H](NC(=O)CCCc1cccnc1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575272631 949651244 /nfs/dbraw/zinc/65/12/44/949651244.db2.gz RJUCDRHSHWKBSS-QWHCGFSZSA-N -1 1 381.444 1.380 20 0 GDADMM C[C@@H](NC(=O)CCCc1cccnc1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575272631 949651258 /nfs/dbraw/zinc/65/12/58/949651258.db2.gz RJUCDRHSHWKBSS-QWHCGFSZSA-N -1 1 381.444 1.380 20 0 GDADMM CC(C)CC(C)(C)C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC001574131214 949651379 /nfs/dbraw/zinc/65/13/79/949651379.db2.gz BGYPYEGXXAPAPL-ZDUSSCGKSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)CC(C)(C)C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC001574131214 949651388 /nfs/dbraw/zinc/65/13/88/949651388.db2.gz BGYPYEGXXAPAPL-ZDUSSCGKSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CCc2ccco2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575877236 949659197 /nfs/dbraw/zinc/65/91/97/949659197.db2.gz LEGBYUPGXZECMU-JSGCOSHPSA-N -1 1 382.428 1.356 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CCc2ccco2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575877236 949659210 /nfs/dbraw/zinc/65/92/10/949659210.db2.gz LEGBYUPGXZECMU-JSGCOSHPSA-N -1 1 382.428 1.356 20 0 GDADMM C[C@H]1CCCC[C@@H]1C(=O)NC1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576169038 949661602 /nfs/dbraw/zinc/66/16/02/949661602.db2.gz IAIRIRKSWZTKNW-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CC(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nn1)c1ccncc1 ZINC001574477628 949668568 /nfs/dbraw/zinc/66/85/68/949668568.db2.gz STZCPTFCSLLSBS-ZDUSSCGKSA-N -1 1 381.444 1.140 20 0 GDADMM C[C@@H](CC(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nn1)c1ccncc1 ZINC001574477628 949668584 /nfs/dbraw/zinc/66/85/84/949668584.db2.gz STZCPTFCSLLSBS-ZDUSSCGKSA-N -1 1 381.444 1.140 20 0 GDADMM CC1(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)CC2)CCC(F)(F)CC1 ZINC001575548379 949672058 /nfs/dbraw/zinc/67/20/58/949672058.db2.gz YXEKDKKKACCZLZ-UHFFFAOYSA-N -1 1 392.414 1.521 20 0 GDADMM CC1(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)CC2)CCC(F)(F)CC1 ZINC001575548379 949672064 /nfs/dbraw/zinc/67/20/64/949672064.db2.gz YXEKDKKKACCZLZ-UHFFFAOYSA-N -1 1 392.414 1.521 20 0 GDADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1(C(F)F)CC1 ZINC001573816189 949675434 /nfs/dbraw/zinc/67/54/34/949675434.db2.gz PMXPWFJYXVLTET-VIFPVBQESA-N -1 1 380.403 1.067 20 0 GDADMM CC(C)CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1 ZINC001574132161 949678070 /nfs/dbraw/zinc/67/80/70/949678070.db2.gz RODKUYSJRKREFK-RDBSUJKOSA-N -1 1 384.488 1.955 20 0 GDADMM CC(C)CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1 ZINC001574132161 949678080 /nfs/dbraw/zinc/67/80/80/949678080.db2.gz RODKUYSJRKREFK-RDBSUJKOSA-N -1 1 384.488 1.955 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574958599 949678977 /nfs/dbraw/zinc/67/89/77/949678977.db2.gz UGXDHSSOOKZJHE-IAMHBRQHSA-N -1 1 392.467 1.575 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574958599 949678994 /nfs/dbraw/zinc/67/89/94/949678994.db2.gz UGXDHSSOOKZJHE-IAMHBRQHSA-N -1 1 392.467 1.575 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574958600 949679866 /nfs/dbraw/zinc/67/98/66/949679866.db2.gz UGXDHSSOOKZJHE-ZQGRQUNCSA-N -1 1 392.467 1.575 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574958600 949679881 /nfs/dbraw/zinc/67/98/81/949679881.db2.gz UGXDHSSOOKZJHE-ZQGRQUNCSA-N -1 1 392.467 1.575 20 0 GDADMM C[C@H](CC(=O)N(C)CCCN(C)c1cncc(-c2nnn[n-]2)n1)[C@H]1CCCO1 ZINC001574477889 949682997 /nfs/dbraw/zinc/68/29/97/949682997.db2.gz WABBADSTQDYGTI-UKRRQHHQSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@H](CC(=O)N(C)CCCN(C)c1cncc(-c2nn[n-]n2)n1)[C@H]1CCCO1 ZINC001574477889 949683009 /nfs/dbraw/zinc/68/30/09/949683009.db2.gz WABBADSTQDYGTI-UKRRQHHQSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@H]1CCCN(C(=O)Cc2ccc[nH]2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576169705 949691484 /nfs/dbraw/zinc/69/14/84/949691484.db2.gz HUXQRJZUXWJECR-SWLSCSKDSA-N -1 1 381.444 1.267 20 0 GDADMM C[C@H]1CCCN(C(=O)Cc2ccc[nH]2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576169705 949691494 /nfs/dbraw/zinc/69/14/94/949691494.db2.gz HUXQRJZUXWJECR-SWLSCSKDSA-N -1 1 381.444 1.267 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@@H](C)c1ccccc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574716391 949695208 /nfs/dbraw/zinc/69/52/08/949695208.db2.gz NWUWOXONKBYHMS-ZIAGYGMSSA-N -1 1 380.456 1.531 20 0 GDADMM C[C@H]1CCCN(C(=O)CCC(F)F)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576170012 949703499 /nfs/dbraw/zinc/70/34/99/949703499.db2.gz IOUOINZMNDOKHK-JQWIXIFHSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H]1CCCN(C(=O)CCC(F)F)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576170012 949703513 /nfs/dbraw/zinc/70/35/13/949703513.db2.gz IOUOINZMNDOKHK-JQWIXIFHSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@H]1CCC(F)(F)C1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574716840 949707962 /nfs/dbraw/zinc/70/79/62/949707962.db2.gz RFCUAJKUADLTBK-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@H]1CCC(F)(F)C1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574716840 949707996 /nfs/dbraw/zinc/70/79/96/949707996.db2.gz RFCUAJKUADLTBK-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)NC[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001574959160 949709550 /nfs/dbraw/zinc/70/95/50/949709550.db2.gz ZNAUOOCNRGVIMH-UONOGXRCSA-N -1 1 380.456 1.700 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)NC[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001574959160 949709564 /nfs/dbraw/zinc/70/95/64/949709564.db2.gz ZNAUOOCNRGVIMH-UONOGXRCSA-N -1 1 380.456 1.700 20 0 GDADMM CC1(C(=O)N[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C2CC2)CC(F)(F)C1 ZINC001575557207 949713347 /nfs/dbraw/zinc/71/33/47/949713347.db2.gz DFKZKKCDVJPJPT-SNVBAGLBSA-N -1 1 378.387 1.399 20 0 GDADMM CC1(C(=O)N[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C2CC2)CC(F)(F)C1 ZINC001575557207 949713364 /nfs/dbraw/zinc/71/33/64/949713364.db2.gz DFKZKKCDVJPJPT-SNVBAGLBSA-N -1 1 378.387 1.399 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1occc1Cl ZINC001573818198 949723614 /nfs/dbraw/zinc/72/36/14/949723614.db2.gz IDNLRQKCKGPDJY-SNVBAGLBSA-N -1 1 390.835 1.582 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574479008 949725778 /nfs/dbraw/zinc/72/57/78/949725778.db2.gz CBXUGXYHIVNVFZ-NXEZZACHSA-N -1 1 384.366 1.282 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C1(F)CCOCC1 ZINC001573818285 949726663 /nfs/dbraw/zinc/72/66/63/949726663.db2.gz JXDSQPVWXMRQGE-GFCCVEGCSA-N -1 1 392.439 1.118 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C1(F)CCOCC1 ZINC001573818285 949726672 /nfs/dbraw/zinc/72/66/72/949726672.db2.gz JXDSQPVWXMRQGE-GFCCVEGCSA-N -1 1 392.439 1.118 20 0 GDADMM C[C@]1(C(=O)N[C@H](CNc2cncc(-c3nnn[n-]3)n2)C2CCCC2)CCOC1 ZINC001575558336 949736791 /nfs/dbraw/zinc/73/67/91/949736791.db2.gz OUBHENIUBIBHKV-ACJLOTCBSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@]1(C(=O)N[C@H](CNc2cncc(-c3nn[n-]n3)n2)C2CCCC2)CCOC1 ZINC001575558336 949736798 /nfs/dbraw/zinc/73/67/98/949736798.db2.gz OUBHENIUBIBHKV-ACJLOTCBSA-N -1 1 386.460 1.170 20 0 GDADMM CC1(C(=O)NC2(CCO)CN(Cc3ccc(-c4nn[n-]n4)s3)C2)CCC1 ZINC001575559376 949753538 /nfs/dbraw/zinc/75/35/38/949753538.db2.gz CHDCTCLIOYJKDK-UHFFFAOYSA-N -1 1 376.486 1.171 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@]1(C)CCCOC1 ZINC001575559868 949766964 /nfs/dbraw/zinc/76/69/64/949766964.db2.gz YMLCLWIPRMIGBR-KPZWWZAWSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@]1(C)CCCOC1 ZINC001575559868 949766971 /nfs/dbraw/zinc/76/69/71/949766971.db2.gz YMLCLWIPRMIGBR-KPZWWZAWSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)Cc1cncs1 ZINC001573821364 949774518 /nfs/dbraw/zinc/77/45/18/949774518.db2.gz ATSOTCITJWYADK-NSHDSACASA-N -1 1 387.473 1.299 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)Cc1cncs1 ZINC001573821364 949774531 /nfs/dbraw/zinc/77/45/31/949774531.db2.gz ATSOTCITJWYADK-NSHDSACASA-N -1 1 387.473 1.299 20 0 GDADMM C[C@@H]1CCCC[C@@H]1CC(=O)NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001576171741 949776572 /nfs/dbraw/zinc/77/65/72/949776572.db2.gz RNIDEVZIDFONSM-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001574138412 949787310 /nfs/dbraw/zinc/78/73/10/949787310.db2.gz BZSGRKZUCFIVMU-TUVASFSCSA-N -1 1 384.488 1.527 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001574138412 949787329 /nfs/dbraw/zinc/78/73/29/949787329.db2.gz BZSGRKZUCFIVMU-TUVASFSCSA-N -1 1 384.488 1.527 20 0 GDADMM C[C@@H](CN(C)C(=O)CCCc1ccccn1)Nc1nccnc1-c1nnn[n-]1 ZINC001574720489 949790558 /nfs/dbraw/zinc/79/05/58/949790558.db2.gz ANSSBBFJIWFYDS-ZDUSSCGKSA-N -1 1 381.444 1.333 20 0 GDADMM C[C@@H](CN(C)C(=O)CCCc1ccccn1)Nc1nccnc1-c1nn[n-]n1 ZINC001574720489 949790569 /nfs/dbraw/zinc/79/05/69/949790569.db2.gz ANSSBBFJIWFYDS-ZDUSSCGKSA-N -1 1 381.444 1.333 20 0 GDADMM CC1(C(=O)N[C@H]2CC23CCN(c2ccc(-c4nnn[n-]4)nn2)CC3)CCCC1 ZINC001575560815 949797761 /nfs/dbraw/zinc/79/77/61/949797761.db2.gz VCHAIHNBDYCKBI-AWEZNQCLSA-N -1 1 382.472 1.712 20 0 GDADMM CC1(C(=O)N[C@H]2CC23CCN(c2ccc(-c4nn[n-]n4)nn2)CC3)CCCC1 ZINC001575560815 949797781 /nfs/dbraw/zinc/79/77/81/949797781.db2.gz VCHAIHNBDYCKBI-AWEZNQCLSA-N -1 1 382.472 1.712 20 0 GDADMM CC1(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C23CCC3)CC=CC1 ZINC001575561166 949803105 /nfs/dbraw/zinc/80/31/05/949803105.db2.gz ZRZYKBHVUYOXSC-KBPBESRZSA-N -1 1 380.456 1.852 20 0 GDADMM CC1(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C23CCC3)CC=CC1 ZINC001575561166 949803132 /nfs/dbraw/zinc/80/31/32/949803132.db2.gz ZRZYKBHVUYOXSC-KBPBESRZSA-N -1 1 380.456 1.852 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001574481886 949807450 /nfs/dbraw/zinc/80/74/50/949807450.db2.gz XDCOTENDSUCZAS-KBPBESRZSA-N -1 1 384.488 1.555 20 0 GDADMM C[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574965694 949810818 /nfs/dbraw/zinc/81/08/18/949810818.db2.gz JMRQRFALEBKDIM-CFVMTHIKSA-N -1 1 378.440 1.047 20 0 GDADMM C[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574965858 949823045 /nfs/dbraw/zinc/82/30/45/949823045.db2.gz NNYFMADLAHWMJZ-CFVMTHIKSA-N -1 1 378.440 1.625 20 0 GDADMM C[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574965858 949823066 /nfs/dbraw/zinc/82/30/66/949823066.db2.gz NNYFMADLAHWMJZ-CFVMTHIKSA-N -1 1 378.440 1.625 20 0 GDADMM C[C@H]1CCCC[C@@H]1C(=O)NCCOCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001576172999 949832372 /nfs/dbraw/zinc/83/23/72/949832372.db2.gz WGUZQPMPBHNWFN-KBPBESRZSA-N -1 1 388.476 1.052 20 0 GDADMM C[C@H]1CCCC[C@@H]1C(=O)NCCOCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001576172999 949832390 /nfs/dbraw/zinc/83/23/90/949832390.db2.gz WGUZQPMPBHNWFN-KBPBESRZSA-N -1 1 388.476 1.052 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1 ZINC001574140602 949833839 /nfs/dbraw/zinc/83/38/39/949833839.db2.gz OPBYWNNZAMKYRE-TUVASFSCSA-N -1 1 384.488 1.955 20 0 GDADMM CC(C)(C)C12CC(C(=O)NCC3(Nc4cnc(-c5nnn[n-]5)cn4)CC3)(C1)C2 ZINC001573823961 949848586 /nfs/dbraw/zinc/84/85/86/949848586.db2.gz BZKPOCTZYYPBQA-UHFFFAOYSA-N -1 1 382.472 1.934 20 0 GDADMM CC(C)(C)C12CC(C(=O)NCC3(Nc4cnc(-c5nn[n-]n5)cn4)CC3)(C1)C2 ZINC001573823961 949848611 /nfs/dbraw/zinc/84/86/11/949848611.db2.gz BZKPOCTZYYPBQA-UHFFFAOYSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@@H](CNC(=O)c1c(F)cccc1Cl)Nc1nccnc1-c1nnn[n-]1 ZINC001574966416 949850655 /nfs/dbraw/zinc/85/06/55/949850655.db2.gz YPCHXJMLNYPIKG-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CNC(=O)c1c(F)cccc1Cl)Nc1nccnc1-c1nn[n-]n1 ZINC001574966416 949850686 /nfs/dbraw/zinc/85/06/86/949850686.db2.gz YPCHXJMLNYPIKG-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1)C(F)(F)F ZINC001574484678 949891912 /nfs/dbraw/zinc/89/19/12/949891912.db2.gz LXDUBVCJHLVPJY-ZJUUUORDSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1)C(F)(F)F ZINC001574484678 949891930 /nfs/dbraw/zinc/89/19/30/949891930.db2.gz LXDUBVCJHLVPJY-ZJUUUORDSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](CC(=O)N1CCCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C1CC1 ZINC001574484787 949903008 /nfs/dbraw/zinc/90/30/08/949903008.db2.gz OFVPOUCTDCPINO-GXTWGEPZSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](CC(=O)N1CCCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C1CC1 ZINC001574484787 949903022 /nfs/dbraw/zinc/90/30/22/949903022.db2.gz OFVPOUCTDCPINO-GXTWGEPZSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)CC(C)(C)C ZINC001574484869 949907853 /nfs/dbraw/zinc/90/78/53/949907853.db2.gz QILZYEKCMJUDRX-UONOGXRCSA-N -1 1 386.504 1.944 20 0 GDADMM CC(C)(C)/C=C/C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001573827251 949919261 /nfs/dbraw/zinc/91/92/61/949919261.db2.gz LCJZAMLKUUJUFH-IWPQLONXSA-N -1 1 382.472 1.733 20 0 GDADMM CC(C)(C)/C=C/C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001573827251 949919279 /nfs/dbraw/zinc/91/92/79/949919279.db2.gz LCJZAMLKUUJUFH-IWPQLONXSA-N -1 1 382.472 1.733 20 0 GDADMM CC(C)C[C@H](C)Cn1c(=O)c(-c2nn[n-]n2)cn(CC(=O)OC(C)(C)C)c1=O ZINC001574144991 949923674 /nfs/dbraw/zinc/92/36/74/949923674.db2.gz RUYIUJABYQRIOH-LBPRGKRZSA-N -1 1 392.460 1.214 20 0 GDADMM C[C@@H]1CCN(C(=O)Cc2ccccc2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576181009 949988041 /nfs/dbraw/zinc/98/80/41/949988041.db2.gz GQNBVCUCXLYQOX-GDBMZVCRSA-N -1 1 392.467 1.796 20 0 GDADMM C[C@@H]1CCN(C(=O)Cc2ccccc2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576181009 949988058 /nfs/dbraw/zinc/98/80/58/949988058.db2.gz GQNBVCUCXLYQOX-GDBMZVCRSA-N -1 1 392.467 1.796 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ccc(F)c(F)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574728713 950005460 /nfs/dbraw/zinc/00/54/60/950005460.db2.gz HYZCFGURSYCDAG-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ccc(F)c(F)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574728713 950005479 /nfs/dbraw/zinc/00/54/79/950005479.db2.gz HYZCFGURSYCDAG-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001574490624 950009938 /nfs/dbraw/zinc/00/99/38/950009938.db2.gz WHJOIQDPSBSOMQ-VNHYZAJKSA-N -1 1 381.444 1.368 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001574490624 950009954 /nfs/dbraw/zinc/00/99/54/950009954.db2.gz WHJOIQDPSBSOMQ-VNHYZAJKSA-N -1 1 381.444 1.368 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ccc(F)cc1F)Nc1nccnc1-c1nnn[n-]1 ZINC001574729595 950021354 /nfs/dbraw/zinc/02/13/54/950021354.db2.gz OVCODMITVRJTHA-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ccc(F)cc1F)Nc1nccnc1-c1nn[n-]n1 ZINC001574729595 950021367 /nfs/dbraw/zinc/02/13/67/950021367.db2.gz OVCODMITVRJTHA-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ccc(F)cc1F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574730233 950027213 /nfs/dbraw/zinc/02/72/13/950027213.db2.gz QCFRXBKCFBHAGO-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ccc(F)cc1F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574730233 950027233 /nfs/dbraw/zinc/02/72/33/950027233.db2.gz QCFRXBKCFBHAGO-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H]1CCN(C(=O)CCC(F)F)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576182041 950032836 /nfs/dbraw/zinc/03/28/36/950032836.db2.gz KQOIOYVWKHNIBM-MNOVXSKESA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H]1CCN(C(=O)CCC(F)F)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576182041 950032856 /nfs/dbraw/zinc/03/28/56/950032856.db2.gz KQOIOYVWKHNIBM-MNOVXSKESA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1cccc(Cl)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574730974 950044816 /nfs/dbraw/zinc/04/48/16/950044816.db2.gz UPSDACONYYVZMD-LLVKDONJSA-N -1 1 386.847 1.812 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1cccc(Cl)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574730974 950044835 /nfs/dbraw/zinc/04/48/35/950044835.db2.gz UPSDACONYYVZMD-LLVKDONJSA-N -1 1 386.847 1.812 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574491793 950047787 /nfs/dbraw/zinc/04/77/87/950047787.db2.gz GDCMJRAZPKWVBY-VHSXEESVSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ccccc2O)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575892295 950064266 /nfs/dbraw/zinc/06/42/66/950064266.db2.gz VKHUXDMUBWSXSW-YPMHNXCESA-N -1 1 380.412 1.150 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ccccc2O)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575892295 950064291 /nfs/dbraw/zinc/06/42/91/950064291.db2.gz VKHUXDMUBWSXSW-YPMHNXCESA-N -1 1 380.412 1.150 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1cccc(Cl)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574731998 950067010 /nfs/dbraw/zinc/06/70/10/950067010.db2.gz ZOESNWWUBDWPQK-NSHDSACASA-N -1 1 386.847 1.812 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1cccc(Cl)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574731998 950067032 /nfs/dbraw/zinc/06/70/32/950067032.db2.gz ZOESNWWUBDWPQK-NSHDSACASA-N -1 1 386.847 1.812 20 0 GDADMM CC1(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)nn3)CC2)CCC(F)(F)CC1 ZINC001575576906 950073615 /nfs/dbraw/zinc/07/36/15/950073615.db2.gz SYSNYUVZDWBMRW-UHFFFAOYSA-N -1 1 392.414 1.933 20 0 GDADMM CC1(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)nn3)CC2)CCC(F)(F)CC1 ZINC001575576906 950073633 /nfs/dbraw/zinc/07/36/33/950073633.db2.gz SYSNYUVZDWBMRW-UHFFFAOYSA-N -1 1 392.414 1.933 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cccn2C)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576183426 950089793 /nfs/dbraw/zinc/08/97/93/950089793.db2.gz RRAVFQTURQRYSM-WFASDCNBSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cccn2C)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576183426 950089814 /nfs/dbraw/zinc/08/98/14/950089814.db2.gz RRAVFQTURQRYSM-WFASDCNBSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001574492644 950097971 /nfs/dbraw/zinc/09/79/71/950097971.db2.gz NYSVIURVWBDKRJ-ZIAGYGMSSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001574492644 950097991 /nfs/dbraw/zinc/09/79/91/950097991.db2.gz NYSVIURVWBDKRJ-ZIAGYGMSSA-N -1 1 381.444 1.195 20 0 GDADMM O=C([O-])[C@@H]1CCCN(c2ccc(CN3CCC([C@@H]4COC(=O)N4)CC3)o2)C1 ZINC001595294112 950101122 /nfs/dbraw/zinc/10/11/22/950101122.db2.gz XKPWEZAXDYMKSG-ZBFHGGJFSA-N -1 1 377.441 1.901 20 0 GDADMM C[C@H]1CCN(C(=O)CCC(F)F)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576183852 950103622 /nfs/dbraw/zinc/10/36/22/950103622.db2.gz ROUNLNJHHJINDP-QWRGUYRKSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H]1CCN(C(=O)CCC(F)F)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576183852 950103637 /nfs/dbraw/zinc/10/36/37/950103637.db2.gz ROUNLNJHHJINDP-QWRGUYRKSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H](CC(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1)c1ccco1 ZINC001574492847 950108963 /nfs/dbraw/zinc/10/89/63/950108963.db2.gz DGIOSCQQGMJVNA-GFCCVEGCSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](CC(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1)c1ccco1 ZINC001574492847 950108982 /nfs/dbraw/zinc/10/89/82/950108982.db2.gz DGIOSCQQGMJVNA-GFCCVEGCSA-N -1 1 382.428 1.529 20 0 GDADMM CC(C)(C)CC(C)(C)C(=O)NC[C@H](CO)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573839199 950125123 /nfs/dbraw/zinc/12/51/23/950125123.db2.gz PCXITPKCEQUUOY-LLVKDONJSA-N -1 1 376.465 1.008 20 0 GDADMM CC(C)(C)CC(C)(C)C(=O)NC[C@H](CO)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573839199 950125136 /nfs/dbraw/zinc/12/51/36/950125136.db2.gz PCXITPKCEQUUOY-LLVKDONJSA-N -1 1 376.465 1.008 20 0 GDADMM CC(C)(C)CC(=O)N[C@@H]1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)C[C@H]1O ZINC001573839152 950125229 /nfs/dbraw/zinc/12/52/29/950125229.db2.gz MNQAROOTXOYXJP-HTQZYQBOSA-N -1 1 385.881 1.079 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574493306 950127374 /nfs/dbraw/zinc/12/73/74/950127374.db2.gz SCIJWWBIMHAMDM-GOEBONIOSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H](CC(=O)NC[C@H](CO)Nc1nccnc1-c1nnn[n-]1)C1CCCCC1 ZINC001574493854 950140347 /nfs/dbraw/zinc/14/03/47/950140347.db2.gz IGFOSDHWCIWKPV-TZMCWYRMSA-N -1 1 388.476 1.152 20 0 GDADMM C[C@H](CC(=O)NC[C@H](CO)Nc1nccnc1-c1nn[n-]n1)C1CCCCC1 ZINC001574493854 950140358 /nfs/dbraw/zinc/14/03/58/950140358.db2.gz IGFOSDHWCIWKPV-TZMCWYRMSA-N -1 1 388.476 1.152 20 0 GDADMM C[C@H](CC(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)c1ccccc1 ZINC001574494188 950156203 /nfs/dbraw/zinc/15/62/03/950156203.db2.gz JFJLFXJRUWIHCP-CQSZACIVSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H](CC(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)c1ccccc1 ZINC001574494188 950156226 /nfs/dbraw/zinc/15/62/26/950156226.db2.gz JFJLFXJRUWIHCP-CQSZACIVSA-N -1 1 392.467 1.936 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@H]1CCCOC1 ZINC001574155221 950187585 /nfs/dbraw/zinc/18/75/85/950187585.db2.gz KDTHAYZZAKLNRS-KGLIPLIRSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@H]1CCCOC1 ZINC001574155221 950187599 /nfs/dbraw/zinc/18/75/99/950187599.db2.gz KDTHAYZZAKLNRS-KGLIPLIRSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CCc1ccon1 ZINC001574155235 950189097 /nfs/dbraw/zinc/18/90/97/950189097.db2.gz KIKPKNLTCQPMNV-ZDUSSCGKSA-N -1 1 385.432 1.220 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CCc1ccon1 ZINC001574155235 950189111 /nfs/dbraw/zinc/18/91/11/950189111.db2.gz KIKPKNLTCQPMNV-ZDUSSCGKSA-N -1 1 385.432 1.220 20 0 GDADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)c1ccco1 ZINC001574155546 950195918 /nfs/dbraw/zinc/19/59/18/950195918.db2.gz NIZOXEWLEMZRNF-CHWSQXEVSA-N -1 1 384.444 1.418 20 0 GDADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)c1ccco1 ZINC001574155547 950197541 /nfs/dbraw/zinc/19/75/41/950197541.db2.gz NIZOXEWLEMZRNF-OLZOCXBDSA-N -1 1 384.444 1.418 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H]1CCC1(F)F ZINC001574155642 950203584 /nfs/dbraw/zinc/20/35/84/950203584.db2.gz PKAZBRRRQHWHPT-QWRGUYRKSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H]1CCC1(F)F ZINC001574155642 950203602 /nfs/dbraw/zinc/20/36/02/950203602.db2.gz PKAZBRRRQHWHPT-QWRGUYRKSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@H](CNC(=O)c1c[nH]nc1C(C)(C)C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574983287 950210986 /nfs/dbraw/zinc/21/09/86/950210986.db2.gz MDSLPKCBMFIUAD-JTQLQIEISA-N -1 1 384.448 1.155 20 0 GDADMM C[C@H](CNC(=O)c1c[nH]nc1C(C)(C)C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574983287 950210998 /nfs/dbraw/zinc/21/09/98/950210998.db2.gz MDSLPKCBMFIUAD-JTQLQIEISA-N -1 1 384.448 1.155 20 0 GDADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCCC12CC2 ZINC001574156111 950223184 /nfs/dbraw/zinc/22/31/84/950223184.db2.gz WXLYHQUKULXRAN-ZIAGYGMSSA-N -1 1 384.488 1.602 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@]1(C)CCCOC1 ZINC001574156151 950228021 /nfs/dbraw/zinc/22/80/21/950228021.db2.gz XPXAZQZUAOJVOI-UGSOOPFHSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@]1(C)CCCOC1 ZINC001574156151 950228043 /nfs/dbraw/zinc/22/80/43/950228043.db2.gz XPXAZQZUAOJVOI-UGSOOPFHSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001573846075 950245452 /nfs/dbraw/zinc/24/54/52/950245452.db2.gz NPDHNPJQVWOCDT-GXTWGEPZSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001573846075 950245472 /nfs/dbraw/zinc/24/54/72/950245472.db2.gz NPDHNPJQVWOCDT-GXTWGEPZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2occc2Cl)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575902438 950259795 /nfs/dbraw/zinc/25/97/95/950259795.db2.gz UWLPFCUPNDHOIJ-KOLCDFICSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cccs2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576192703 950261688 /nfs/dbraw/zinc/26/16/88/950261688.db2.gz QBXUJEINWKVDIB-VXGBXAGGSA-N -1 1 384.469 1.350 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccc(F)cn1 ZINC001574157969 950261890 /nfs/dbraw/zinc/26/18/90/950261890.db2.gz LZZBHAXHRMXJBV-GFCCVEGCSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccc(F)cn1 ZINC001574157969 950261913 /nfs/dbraw/zinc/26/19/13/950261913.db2.gz LZZBHAXHRMXJBV-GFCCVEGCSA-N -1 1 385.407 1.447 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1)CC(C)(C)C ZINC001574498249 950266476 /nfs/dbraw/zinc/26/64/76/950266476.db2.gz LJXAPDNUNBKCFA-NWDGAFQWSA-N -1 1 376.465 1.008 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1)CC(C)(C)C ZINC001574498249 950266498 /nfs/dbraw/zinc/26/64/98/950266498.db2.gz LJXAPDNUNBKCFA-NWDGAFQWSA-N -1 1 376.465 1.008 20 0 GDADMM C[C@H](CC(=O)NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001574498337 950270587 /nfs/dbraw/zinc/27/05/87/950270587.db2.gz MMKXJLXQJRYZBB-XNWIYYODSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](CC(=O)NCC1CC(Nc2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574498337 950270609 /nfs/dbraw/zinc/27/06/09/950270609.db2.gz MMKXJLXQJRYZBB-XNWIYYODSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](CC(=O)NCC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C1CC1 ZINC001574498488 950273140 /nfs/dbraw/zinc/27/31/40/950273140.db2.gz OEUIWFLFHAOFGG-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](CC(=O)NCC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C1CC1 ZINC001574498488 950273162 /nfs/dbraw/zinc/27/31/62/950273162.db2.gz OEUIWFLFHAOFGG-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CC1)c1ccccc1 ZINC001574499421 950298317 /nfs/dbraw/zinc/29/83/17/950298317.db2.gz UYRONIGXYUXCFB-CYBMUJFWSA-N -1 1 378.440 1.911 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CC1)c1ccccc1 ZINC001574499421 950298335 /nfs/dbraw/zinc/29/83/35/950298335.db2.gz UYRONIGXYUXCFB-CYBMUJFWSA-N -1 1 378.440 1.911 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CC1)c1ccccc1 ZINC001574499429 950298982 /nfs/dbraw/zinc/29/89/82/950298982.db2.gz VLIHSAYRISLADU-CYBMUJFWSA-N -1 1 378.440 1.333 20 0 GDADMM C[C@@H](CC(=O)NCC1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574499211 950299336 /nfs/dbraw/zinc/29/93/36/950299336.db2.gz TZIINESESDMTHQ-HIFPTAJRSA-N -1 1 382.428 1.172 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C[C@](C)(O)C1CC1 ZINC001574159692 950311645 /nfs/dbraw/zinc/31/16/45/950311645.db2.gz XZVYGOLPTAVRCZ-UGSOOPFHSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@](C)(O)C1CC1 ZINC001574159692 950311666 /nfs/dbraw/zinc/31/16/66/950311666.db2.gz XZVYGOLPTAVRCZ-UGSOOPFHSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CC[C@@H]1CCCO1 ZINC001574159880 950321641 /nfs/dbraw/zinc/32/16/41/950321641.db2.gz ZBPJGFLWRZDTPP-KGLIPLIRSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CC[C@@H]1CCCO1 ZINC001574159880 950321664 /nfs/dbraw/zinc/32/16/64/950321664.db2.gz ZBPJGFLWRZDTPP-KGLIPLIRSA-N -1 1 388.476 1.559 20 0 GDADMM CC1(C(=O)NC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CCC2(F)F)CC1 ZINC001575594043 950325346 /nfs/dbraw/zinc/32/53/46/950325346.db2.gz JDDHZIWSJINGPN-JTQLQIEISA-N -1 1 378.387 1.035 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001573853998 950335004 /nfs/dbraw/zinc/33/50/04/950335004.db2.gz WIDIWUCWWDBWKX-NSHDSACASA-N -1 1 378.458 1.944 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001574501957 950353484 /nfs/dbraw/zinc/35/34/84/950353484.db2.gz HYSIWOIJNMICDR-UONOGXRCSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001574501957 950353499 /nfs/dbraw/zinc/35/34/99/950353499.db2.gz HYSIWOIJNMICDR-UONOGXRCSA-N -1 1 381.444 1.052 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H](C)C(F)(F)F ZINC001574161837 950366650 /nfs/dbraw/zinc/36/66/50/950366650.db2.gz YEEMCTVWEHOYCG-UWVGGRQHSA-N -1 1 386.382 1.798 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)C(F)(F)F ZINC001574161837 950366669 /nfs/dbraw/zinc/36/66/69/950366669.db2.gz YEEMCTVWEHOYCG-UWVGGRQHSA-N -1 1 386.382 1.798 20 0 GDADMM CC1(C(=O)NC[C@@H]2c3ccccc3CCN2c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575596068 950367894 /nfs/dbraw/zinc/36/78/94/950367894.db2.gz RRDITIHZSROFBI-OAHLLOKOSA-N -1 1 390.451 1.677 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H](C)n1cccc1 ZINC001574162499 950384963 /nfs/dbraw/zinc/38/49/63/950384963.db2.gz BYBIPPIDMYFQDW-KGLIPLIRSA-N -1 1 383.460 1.662 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H](C)n1cccc1 ZINC001574162499 950384984 /nfs/dbraw/zinc/38/49/84/950384984.db2.gz BYBIPPIDMYFQDW-KGLIPLIRSA-N -1 1 383.460 1.662 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1ncccc1F ZINC001574162760 950401492 /nfs/dbraw/zinc/40/14/92/950401492.db2.gz IQRBDWMEDUUXTH-NSHDSACASA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1ncccc1F ZINC001574162760 950401500 /nfs/dbraw/zinc/40/15/00/950401500.db2.gz IQRBDWMEDUUXTH-NSHDSACASA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cc(Cl)no1 ZINC001574162820 950403426 /nfs/dbraw/zinc/40/34/26/950403426.db2.gz JNQMCLLRSZNYFY-SECBINFHSA-N -1 1 391.823 1.555 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cc(Cl)no1 ZINC001574162820 950403447 /nfs/dbraw/zinc/40/34/47/950403447.db2.gz JNQMCLLRSZNYFY-SECBINFHSA-N -1 1 391.823 1.555 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001574503411 950407907 /nfs/dbraw/zinc/40/79/07/950407907.db2.gz VSLKVIYLKCBIDM-NXEZZACHSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001574503411 950407925 /nfs/dbraw/zinc/40/79/25/950407925.db2.gz VSLKVIYLKCBIDM-NXEZZACHSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@H](CC(=O)NCCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C1CC1 ZINC001574503395 950411082 /nfs/dbraw/zinc/41/10/82/950411082.db2.gz VIABJJVQPHHJQP-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](CC(=O)NCCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C1CC1 ZINC001574503395 950411094 /nfs/dbraw/zinc/41/10/94/950411094.db2.gz VIABJJVQPHHJQP-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CCC(F)(F)F ZINC001574163319 950424253 /nfs/dbraw/zinc/42/42/53/950424253.db2.gz RPYKXDIRDXMVKR-JTQLQIEISA-N -1 1 386.382 1.942 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CCC(F)(F)F ZINC001574163319 950424265 /nfs/dbraw/zinc/42/42/65/950424265.db2.gz RPYKXDIRDXMVKR-JTQLQIEISA-N -1 1 386.382 1.942 20 0 GDADMM C[C@@]1(C(=O)N[C@@H]2CCCC[C@H]2Nc2nccnc2-c2nnn[n-]2)CCCOC1 ZINC001575599065 950424321 /nfs/dbraw/zinc/42/43/21/950424321.db2.gz BNUBDRRSSOKPLY-SNUQEOBHSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@]1(C(=O)N[C@@H]2CCCC[C@H]2Nc2nccnc2-c2nn[n-]n2)CCCOC1 ZINC001575599065 950424329 /nfs/dbraw/zinc/42/43/29/950424329.db2.gz BNUBDRRSSOKPLY-SNUQEOBHSA-N -1 1 386.460 1.313 20 0 GDADMM CC1(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC(F)(F)C1 ZINC001575599251 950427964 /nfs/dbraw/zinc/42/79/64/950427964.db2.gz IMUZPIATONARHB-SNVBAGLBSA-N -1 1 378.387 1.177 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1ccsc1 ZINC001575910739 950429737 /nfs/dbraw/zinc/42/97/37/950429737.db2.gz BHPNVQRZXTWTNP-WCQYABFASA-N -1 1 384.469 1.752 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCc1ccsc1 ZINC001575910739 950429749 /nfs/dbraw/zinc/42/97/49/950429749.db2.gz BHPNVQRZXTWTNP-WCQYABFASA-N -1 1 384.469 1.752 20 0 GDADMM CC(C)CC1(C(=O)NC[C@@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)CCC1 ZINC001574165315 950444571 /nfs/dbraw/zinc/44/45/71/950444571.db2.gz CXNNKXIMZKMFGX-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2c2ccccc2)CC1 ZINC001575604917 950450539 /nfs/dbraw/zinc/45/05/39/950450539.db2.gz FTANSHCHXDFMMW-GOEBONIOSA-N -1 1 390.451 1.545 20 0 GDADMM CC1(C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2c2ccccc2)CC1 ZINC001575604917 950450553 /nfs/dbraw/zinc/45/05/53/950450553.db2.gz FTANSHCHXDFMMW-GOEBONIOSA-N -1 1 390.451 1.545 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc(Cl)cn1C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574751467 950462377 /nfs/dbraw/zinc/46/23/77/950462377.db2.gz NXNBHCSOLCHALW-SECBINFHSA-N -1 1 375.824 1.221 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc(Cl)cn1C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574751467 950462392 /nfs/dbraw/zinc/46/23/92/950462392.db2.gz NXNBHCSOLCHALW-SECBINFHSA-N -1 1 375.824 1.221 20 0 GDADMM C[C@H](CC(=O)NCCN(C)c1ccnc(-c2nn[n-]n2)n1)c1ccccc1F ZINC001574507690 950464865 /nfs/dbraw/zinc/46/48/65/950464865.db2.gz HLWQJUFLDVELOX-GFCCVEGCSA-N -1 1 384.419 1.542 20 0 GDADMM CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ccnc(-c2nnn[n-]2)c1)C(C)(C)C ZINC001573862548 950469029 /nfs/dbraw/zinc/46/90/29/950469029.db2.gz WSHYQDSZYHRMQY-CYBMUJFWSA-N -1 1 389.460 1.817 20 0 GDADMM CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ccnc(-c2nn[n-]n2)c1)C(C)(C)C ZINC001573862548 950469048 /nfs/dbraw/zinc/46/90/48/950469048.db2.gz WSHYQDSZYHRMQY-CYBMUJFWSA-N -1 1 389.460 1.817 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)C1CCC(F)(F)CC1 ZINC001575913268 950483747 /nfs/dbraw/zinc/48/37/47/950483747.db2.gz JEDBNVVCTAOGIX-PWSUYJOCSA-N -1 1 392.414 1.884 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)C1CCC(F)(F)CC1 ZINC001575913268 950483757 /nfs/dbraw/zinc/48/37/57/950483757.db2.gz JEDBNVVCTAOGIX-PWSUYJOCSA-N -1 1 392.414 1.884 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc2c(c1)COC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574752979 950508531 /nfs/dbraw/zinc/50/85/31/950508531.db2.gz HQBJKJZDHONYHI-LLVKDONJSA-N -1 1 380.412 1.260 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc2c(c1)COC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574752979 950508546 /nfs/dbraw/zinc/50/85/46/950508546.db2.gz HQBJKJZDHONYHI-LLVKDONJSA-N -1 1 380.412 1.260 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001573868301 950536929 /nfs/dbraw/zinc/53/69/29/950536929.db2.gz AYSASPQPLPMXHZ-GFCCVEGCSA-N -1 1 376.465 1.415 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001573868301 950536942 /nfs/dbraw/zinc/53/69/42/950536942.db2.gz AYSASPQPLPMXHZ-GFCCVEGCSA-N -1 1 376.465 1.415 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCC1CCOCC1 ZINC001575917165 950561810 /nfs/dbraw/zinc/56/18/10/950561810.db2.gz UYGYGRHFCOWJDM-JSGCOSHPSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCC1CCOCC1 ZINC001575917165 950561838 /nfs/dbraw/zinc/56/18/38/950561838.db2.gz UYGYGRHFCOWJDM-JSGCOSHPSA-N -1 1 386.460 1.265 20 0 GDADMM CC(C)n1cc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H]2C)cn1 ZINC001575918431 950592059 /nfs/dbraw/zinc/59/20/59/950592059.db2.gz BVUZCEGLZTUJSD-WCQYABFASA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1cc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H]2C)cn1 ZINC001575918431 950592077 /nfs/dbraw/zinc/59/20/77/950592077.db2.gz BVUZCEGLZTUJSD-WCQYABFASA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)CCC(=O)N1CCC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001574173637 950598032 /nfs/dbraw/zinc/59/80/32/950598032.db2.gz KOFWXGFIWONGAZ-IBGZPJMESA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)CCC(=O)N1CCC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001574173637 950598042 /nfs/dbraw/zinc/59/80/42/950598042.db2.gz KOFWXGFIWONGAZ-IBGZPJMESA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)CCC(=O)N1CCC[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CC[C@@H]21 ZINC001574173719 950604424 /nfs/dbraw/zinc/60/44/24/950604424.db2.gz MCYXKNPTRFPIME-CABCVRRESA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccccn1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574758539 950611462 /nfs/dbraw/zinc/61/14/62/950611462.db2.gz CTPPTRUZPXSJGE-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccccn1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574758539 950611470 /nfs/dbraw/zinc/61/14/70/950611470.db2.gz CTPPTRUZPXSJGE-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM CC(C)(C)OCC(=O)NC[C@@H]1CCCCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001573871128 950612817 /nfs/dbraw/zinc/61/28/17/950612817.db2.gz NIHCEXQPJZPFSZ-ZDUSSCGKSA-N -1 1 388.476 1.337 20 0 GDADMM CC(C)(C)OCC(=O)NC[C@@H]1CCCCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001573871128 950612831 /nfs/dbraw/zinc/61/28/31/950612831.db2.gz NIHCEXQPJZPFSZ-ZDUSSCGKSA-N -1 1 388.476 1.337 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001574513740 950619316 /nfs/dbraw/zinc/61/93/16/950619316.db2.gz XQSJEVLNZMTDBX-UWVGGRQHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001574513740 950619327 /nfs/dbraw/zinc/61/93/27/950619327.db2.gz XQSJEVLNZMTDBX-UWVGGRQHSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)CCC(=O)N[C@@H]1CC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@@H]2C1 ZINC001574174077 950620807 /nfs/dbraw/zinc/62/08/07/950620807.db2.gz FKPQWSPZBLUFSN-SOUVJXGZSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)CCC(=O)N[C@@H]1CC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@H]2C1 ZINC001574174077 950620816 /nfs/dbraw/zinc/62/08/16/950620816.db2.gz FKPQWSPZBLUFSN-SOUVJXGZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](CNC(=O)c1cc2c(o1)CCCC2)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575001342 950632637 /nfs/dbraw/zinc/63/26/37/950632637.db2.gz KUAVKOQLGLUHQP-LLVKDONJSA-N -1 1 382.428 1.383 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N(C)C[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574759380 950639241 /nfs/dbraw/zinc/63/92/41/950639241.db2.gz CANUBPZBFICWGA-LLVKDONJSA-N -1 1 384.448 1.086 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N(C)C[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574759380 950639258 /nfs/dbraw/zinc/63/92/58/950639258.db2.gz CANUBPZBFICWGA-LLVKDONJSA-N -1 1 384.448 1.086 20 0 GDADMM CC(C)CCC(=O)N1CCC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)CC[C@H]21 ZINC001574174630 950640290 /nfs/dbraw/zinc/64/02/90/950640290.db2.gz UKMMINMXBUHEPA-GOEBONIOSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CCC(=O)N1CCC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)CC[C@H]21 ZINC001574174630 950640308 /nfs/dbraw/zinc/64/03/08/950640308.db2.gz UKMMINMXBUHEPA-GOEBONIOSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C[C@H]1O ZINC001576214080 950662027 /nfs/dbraw/zinc/66/20/27/950662027.db2.gz MNCDSGLRCBUEGF-LDYMZIIASA-N -1 1 391.375 1.277 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573876200 950663264 /nfs/dbraw/zinc/66/32/64/950663264.db2.gz DXNQURYSAIBXNS-BFHYXJOUSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573876200 950663281 /nfs/dbraw/zinc/66/32/81/950663281.db2.gz DXNQURYSAIBXNS-BFHYXJOUSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccsc1Cl)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574760323 950664557 /nfs/dbraw/zinc/66/45/57/950664557.db2.gz IQQJOOBUXHOPRU-QMMMGPOBSA-N -1 1 378.849 1.366 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1scnc1Cl ZINC001575924130 950669331 /nfs/dbraw/zinc/66/93/31/950669331.db2.gz DRMJQNBOROZMKS-JGVFFNPUSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1scnc1Cl ZINC001575924130 950669338 /nfs/dbraw/zinc/66/93/38/950669338.db2.gz DRMJQNBOROZMKS-JGVFFNPUSA-N -1 1 391.848 1.482 20 0 GDADMM CC(C)(C)Oc1ccccc1CNC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001573876712 950681202 /nfs/dbraw/zinc/68/12/02/950681202.db2.gz STQCLFAQLRODGR-UHFFFAOYSA-N -1 1 385.432 1.135 20 0 GDADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc2cc[nH]c2c1 ZINC001575925840 950691458 /nfs/dbraw/zinc/69/14/58/950691458.db2.gz VGIGYJVRWXVYMK-BXUZGUMPSA-N -1 1 389.423 1.275 20 0 GDADMM CC(C)c1ncc(C(=O)N(C)C[C@H](C)Nc2nccnc2-c2nnn[n-]2)s1 ZINC001574761134 950693576 /nfs/dbraw/zinc/69/35/76/950693576.db2.gz QZFHUDYARRATQV-JTQLQIEISA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)c1ncc(C(=O)N(C)C[C@H](C)Nc2nccnc2-c2nn[n-]n2)s1 ZINC001574761134 950693591 /nfs/dbraw/zinc/69/35/91/950693591.db2.gz QZFHUDYARRATQV-JTQLQIEISA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001573877785 950695013 /nfs/dbraw/zinc/69/50/13/950695013.db2.gz GFDPXVUSQDOYON-XGFWRYKXSA-N -1 1 382.472 1.137 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001573877785 950695024 /nfs/dbraw/zinc/69/50/24/950695024.db2.gz GFDPXVUSQDOYON-XGFWRYKXSA-N -1 1 382.472 1.137 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)C1CCC(F)(F)CC1 ZINC001575925996 950696399 /nfs/dbraw/zinc/69/63/99/950696399.db2.gz IJZUDNGUTBALLM-PWSUYJOCSA-N -1 1 392.414 1.884 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)C1CCC(F)(F)CC1 ZINC001575925996 950696409 /nfs/dbraw/zinc/69/64/09/950696409.db2.gz IJZUDNGUTBALLM-PWSUYJOCSA-N -1 1 392.414 1.884 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccnn1C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574762150 950699333 /nfs/dbraw/zinc/69/93/33/950699333.db2.gz VWNSLMLGMDGWDU-ZETCQYMHSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccnn1C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574762150 950699346 /nfs/dbraw/zinc/69/93/46/950699346.db2.gz VWNSLMLGMDGWDU-ZETCQYMHSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cnn(C)c1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574763594 950721243 /nfs/dbraw/zinc/72/12/43/950721243.db2.gz FXEDCGJPOOVTDL-ZETCQYMHSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cnn(C)c1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574763594 950721255 /nfs/dbraw/zinc/72/12/55/950721255.db2.gz FXEDCGJPOOVTDL-ZETCQYMHSA-N -1 1 381.853 1.283 20 0 GDADMM CC(C)c1ncncc1C(=O)N(C)C[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574763849 950734285 /nfs/dbraw/zinc/73/42/85/950734285.db2.gz MBZYUNITEWCWQK-LLVKDONJSA-N -1 1 382.432 1.143 20 0 GDADMM CC(C)c1ncncc1C(=O)N(C)C[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574763849 950734303 /nfs/dbraw/zinc/73/43/03/950734303.db2.gz MBZYUNITEWCWQK-LLVKDONJSA-N -1 1 382.432 1.143 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cnccn1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574763991 950737495 /nfs/dbraw/zinc/73/74/95/950737495.db2.gz OLRRMWIPBXRYDE-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cnn(C2CCC2)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574763953 950738889 /nfs/dbraw/zinc/73/88/89/950738889.db2.gz NSEBLZDZUQDYMJ-NSHDSACASA-N -1 1 382.432 1.151 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cnn(C2CCC2)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574763953 950738900 /nfs/dbraw/zinc/73/89/00/950738900.db2.gz NSEBLZDZUQDYMJ-NSHDSACASA-N -1 1 382.432 1.151 20 0 GDADMM CC1(C)CC(C(=O)NC[C@@H]2CCCCCN2c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575629915 950748394 /nfs/dbraw/zinc/74/83/94/950748394.db2.gz ULSMCMVKTIPLQW-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CC(C(=O)NC[C@@H]2CCCCCN2c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575629915 950748407 /nfs/dbraw/zinc/74/84/07/950748407.db2.gz ULSMCMVKTIPLQW-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CC(C(=O)NC2(CNc3nccnc3-c3nnn[n-]3)CCOCC2)C1 ZINC001575629955 950751841 /nfs/dbraw/zinc/75/18/41/950751841.db2.gz WCMLTRBWTOZFKO-UHFFFAOYSA-N -1 1 386.460 1.170 20 0 GDADMM CC1(C)CC(C(=O)NC2(CNc3nccnc3-c3nn[n-]n3)CCOCC2)C1 ZINC001575629955 950751862 /nfs/dbraw/zinc/75/18/62/950751862.db2.gz WCMLTRBWTOZFKO-UHFFFAOYSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cccc2c1CCC2 ZINC001575927775 950755058 /nfs/dbraw/zinc/75/50/58/950755058.db2.gz UFPIEQBZAUENLN-MLGOLLRUSA-N -1 1 390.451 1.861 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cccc2c1CCC2 ZINC001575927775 950755066 /nfs/dbraw/zinc/75/50/66/950755066.db2.gz UFPIEQBZAUENLN-MLGOLLRUSA-N -1 1 390.451 1.861 20 0 GDADMM CC(C)(C)c1ccc(C(=O)N2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)cc1 ZINC001573881988 950763739 /nfs/dbraw/zinc/76/37/39/950763739.db2.gz MVCCVDULSYTHJP-UHFFFAOYSA-N -1 1 392.467 1.917 20 0 GDADMM C[C@@H](CN(C)C(=O)c1csc(Cl)n1)Nc1nccnc1-c1nnn[n-]1 ZINC001574764979 950770776 /nfs/dbraw/zinc/77/07/76/950770776.db2.gz AZGDXQGNXIMHGO-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CN(C)C(=O)c1csc(Cl)n1)Nc1nccnc1-c1nn[n-]n1 ZINC001574764979 950770791 /nfs/dbraw/zinc/77/07/91/950770791.db2.gz AZGDXQGNXIMHGO-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C2CC2)CC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576217862 950771623 /nfs/dbraw/zinc/77/16/23/950771623.db2.gz JVDOTKUKBICAOZ-QWHCGFSZSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C2CC2)CC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576217862 950771639 /nfs/dbraw/zinc/77/16/39/950771639.db2.gz JVDOTKUKBICAOZ-QWHCGFSZSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)(C)c1ccc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)cc1 ZINC001573882191 950772075 /nfs/dbraw/zinc/77/20/75/950772075.db2.gz XAVKXJDCHGJDHA-OAHLLOKOSA-N -1 1 392.467 1.963 20 0 GDADMM CC(C)(C)c1ccc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)cc1 ZINC001573882191 950772091 /nfs/dbraw/zinc/77/20/91/950772091.db2.gz XAVKXJDCHGJDHA-OAHLLOKOSA-N -1 1 392.467 1.963 20 0 GDADMM C[C@@H]1[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)CCN1C(=O)c1cn[nH]c1 ZINC001575931113 950801716 /nfs/dbraw/zinc/80/17/16/950801716.db2.gz GWQPIGPAZUTVQN-SVRRBLITSA-N -1 1 379.837 1.415 20 0 GDADMM C[C@@H]1[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCN1C(=O)c1cn[nH]c1 ZINC001575931113 950801739 /nfs/dbraw/zinc/80/17/39/950801739.db2.gz GWQPIGPAZUTVQN-SVRRBLITSA-N -1 1 379.837 1.415 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(C)(F)F)CC2)CC[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576219444 950804976 /nfs/dbraw/zinc/80/49/76/950804976.db2.gz NQALXSVZVXPOAJ-WDEREUQCSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(C)(F)F)CC2)CC[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576219444 950805001 /nfs/dbraw/zinc/80/50/01/950805001.db2.gz NQALXSVZVXPOAJ-WDEREUQCSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@H]1[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)CCN1C(=O)c1cnccn1 ZINC001575931891 950811346 /nfs/dbraw/zinc/81/13/46/950811346.db2.gz JIAAMAAYGQCWRG-YUMQZZPRSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCN1C(=O)c1cnccn1 ZINC001575931891 950811363 /nfs/dbraw/zinc/81/13/63/950811363.db2.gz JIAAMAAYGQCWRG-YUMQZZPRSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H](CN(C)C(=O)c1coc(C2CCC2)n1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574766196 950812776 /nfs/dbraw/zinc/81/27/76/950812776.db2.gz LUAYAZOPWGWYRD-JTQLQIEISA-N -1 1 383.416 1.485 20 0 GDADMM C[C@@H](CN(C)C(=O)c1coc(C2CCC2)n1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574766196 950812791 /nfs/dbraw/zinc/81/27/91/950812791.db2.gz LUAYAZOPWGWYRD-JTQLQIEISA-N -1 1 383.416 1.485 20 0 GDADMM CC1(C)CC(CC(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001575634053 950821430 /nfs/dbraw/zinc/82/14/30/950821430.db2.gz YOCOPWOMTKXKGD-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CC(CC(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001575634053 950821447 /nfs/dbraw/zinc/82/14/47/950821447.db2.gz YOCOPWOMTKXKGD-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CN(C)C(=O)c1noc2c1CCCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574767395 950848581 /nfs/dbraw/zinc/84/85/81/950848581.db2.gz NIXLCSZLTSWUAX-SNVBAGLBSA-N -1 1 383.416 1.096 20 0 GDADMM C[C@H](CN(C)C(=O)c1noc2c1CCCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574767395 950848604 /nfs/dbraw/zinc/84/86/04/950848604.db2.gz NIXLCSZLTSWUAX-SNVBAGLBSA-N -1 1 383.416 1.096 20 0 GDADMM CC(C)(C)c1ocnc1C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573887634 950852200 /nfs/dbraw/zinc/85/22/00/950852200.db2.gz GRJDIUNNIRXMHK-MGCOHNPYSA-N -1 1 383.416 1.315 20 0 GDADMM CC(C)(C)c1ocnc1C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573887634 950852209 /nfs/dbraw/zinc/85/22/09/950852209.db2.gz GRJDIUNNIRXMHK-MGCOHNPYSA-N -1 1 383.416 1.315 20 0 GDADMM C[C@H](CN(C)C(=O)c1cscc1Cl)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574767616 950859036 /nfs/dbraw/zinc/85/90/36/950859036.db2.gz TYVRPEXQPAQGSP-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CN(C)C(=O)c1cscc1Cl)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574767616 950859057 /nfs/dbraw/zinc/85/90/57/950859057.db2.gz TYVRPEXQPAQGSP-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccc(C2CC2)cn1 ZINC001575935141 950879382 /nfs/dbraw/zinc/87/93/82/950879382.db2.gz VPFKNLZWZIIYDA-RISCZKNCSA-N -1 1 391.439 1.644 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(C2CC2)cn1 ZINC001575935141 950879393 /nfs/dbraw/zinc/87/93/93/950879393.db2.gz VPFKNLZWZIIYDA-RISCZKNCSA-N -1 1 391.439 1.644 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1coc(C(F)F)c1 ZINC001575935848 950897660 /nfs/dbraw/zinc/89/76/60/950897660.db2.gz ZUKOTFQQAFQQCX-WPRPVWTQSA-N -1 1 390.354 1.902 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1coc(C(F)F)c1 ZINC001575935848 950897683 /nfs/dbraw/zinc/89/76/83/950897683.db2.gz ZUKOTFQQAFQQCX-WPRPVWTQSA-N -1 1 390.354 1.902 20 0 GDADMM C[C@H]1CN(C(=O)C2(F)CCCCC2)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576227130 950900557 /nfs/dbraw/zinc/90/05/57/950900557.db2.gz CGNFYIUMWZBKIA-STQMWFEESA-N -1 1 388.451 1.400 20 0 GDADMM CC1(C)C[C@@H](NC(=O)CCCF)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575640833 950905731 /nfs/dbraw/zinc/90/57/31/950905731.db2.gz LENSGQQFINWDQY-LBPRGKRZSA-N -1 1 376.440 1.518 20 0 GDADMM C[C@H]1CN(C(=O)C2(F)CCCCC2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576227497 950910444 /nfs/dbraw/zinc/91/04/44/950910444.db2.gz DEQALGFFKKRONF-STQMWFEESA-N -1 1 388.451 1.836 20 0 GDADMM C[C@H]1CN(C(=O)C2(F)CCCCC2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576227497 950910462 /nfs/dbraw/zinc/91/04/62/950910462.db2.gz DEQALGFFKKRONF-STQMWFEESA-N -1 1 388.451 1.836 20 0 GDADMM CC(C)CCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1nccnc1-c1nnn[n-]1)C2 ZINC001574190600 950918856 /nfs/dbraw/zinc/91/88/56/950918856.db2.gz ZDLZRQKANSTBLE-KKUMJFAQSA-N -1 1 384.488 1.957 20 0 GDADMM CC(C)CCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1nccnc1-c1nn[n-]n1)C2 ZINC001574190600 950918869 /nfs/dbraw/zinc/91/88/69/950918869.db2.gz ZDLZRQKANSTBLE-KKUMJFAQSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H]1CN(C(=O)C2CC3(CC3)C2)CC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576228044 950928024 /nfs/dbraw/zinc/92/80/24/950928024.db2.gz IFZHCLOZGIFOBY-STQMWFEESA-N -1 1 382.472 1.743 20 0 GDADMM C[C@H]1CN(C(=O)C2CC3(CC3)C2)CC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576228044 950928047 /nfs/dbraw/zinc/92/80/47/950928047.db2.gz IFZHCLOZGIFOBY-STQMWFEESA-N -1 1 382.472 1.743 20 0 GDADMM CC(C)(CC(=O)N[C@H]1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573896120 950948044 /nfs/dbraw/zinc/94/80/44/950948044.db2.gz GDXJUWJDNUOIOF-OCCSQVGLSA-N -1 1 384.488 1.602 20 0 GDADMM CCOC(=O)CCCCC[N@H+]1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001590414038 950950595 /nfs/dbraw/zinc/95/05/95/950950595.db2.gz PSLAXWUVICQVLL-AAEUAGOBSA-N -1 1 382.379 1.706 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C3CCC3)CCC2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576229535 950972671 /nfs/dbraw/zinc/97/26/71/950972671.db2.gz KDQBHAHKRJHTMH-IUODEOHRSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C3CCC3)CCC2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576229535 950972688 /nfs/dbraw/zinc/97/26/88/950972688.db2.gz KDQBHAHKRJHTMH-IUODEOHRSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ncc(Cl)s1 ZINC001575938433 950983674 /nfs/dbraw/zinc/98/36/74/950983674.db2.gz NKUAWENYSSBSBZ-HTQZYQBOSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ncc(Cl)s1 ZINC001575938433 950983691 /nfs/dbraw/zinc/98/36/91/950983691.db2.gz NKUAWENYSSBSBZ-HTQZYQBOSA-N -1 1 391.848 1.482 20 0 GDADMM CC(C)(CC(=O)NCC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1CC1 ZINC001573899563 950985403 /nfs/dbraw/zinc/98/54/03/950985403.db2.gz FGDGKTMKMXPCII-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(CC(=O)NCC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1CC1 ZINC001573899563 950985419 /nfs/dbraw/zinc/98/54/19/950985419.db2.gz FGDGKTMKMXPCII-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H]1CN(C(=O)C2(CCF)CC2)CC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576230479 951005817 /nfs/dbraw/zinc/00/58/17/951005817.db2.gz MJGZPQVVBFZKQZ-OLZOCXBDSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@@H]1CN(C(=O)C2(CCF)CC2)CC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576230479 951005841 /nfs/dbraw/zinc/00/58/41/951005841.db2.gz MJGZPQVVBFZKQZ-OLZOCXBDSA-N -1 1 388.451 1.693 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N1CCOC2(CN(Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001575646643 951006329 /nfs/dbraw/zinc/00/63/29/951006329.db2.gz BUVLGOYQTAKTOY-CYBMUJFWSA-N -1 1 388.497 1.388 20 0 GDADMM C[C@@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000323486577 951047381 /nfs/dbraw/zinc/04/73/81/951047381.db2.gz BXXNTLDTPCHLIR-MRXNPFEDSA-N -1 1 395.525 1.482 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)F)nc1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575020126 951052335 /nfs/dbraw/zinc/05/23/35/951052335.db2.gz YUNTWDFNUYZGOH-VIFPVBQESA-N -1 1 389.370 1.244 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C2CC2)cc1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575023613 951081792 /nfs/dbraw/zinc/08/17/92/951081792.db2.gz PBVAUGVZOJAPRY-LBPRGKRZSA-N -1 1 378.440 1.434 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C2CC2)cn1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575024289 951098205 /nfs/dbraw/zinc/09/82/05/951098205.db2.gz ZWWRJAABAQIGNE-LLVKDONJSA-N -1 1 379.428 1.184 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCC=C2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575024770 951115264 /nfs/dbraw/zinc/11/52/64/951115264.db2.gz MKESXIYWAURZNL-LBPRGKRZSA-N -1 1 376.424 1.847 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCC=C2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575024770 951115270 /nfs/dbraw/zinc/11/52/70/951115270.db2.gz MKESXIYWAURZNL-LBPRGKRZSA-N -1 1 376.424 1.847 20 0 GDADMM CC(C)Oc1cccc(C(=O)NC[C@H](C)Nc2nccnc2-c2nnn[n-]2)n1 ZINC001575027928 951162960 /nfs/dbraw/zinc/16/29/60/951162960.db2.gz JACWOHWFHDZTDU-NSHDSACASA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1cccc(C(=O)NC[C@H](C)Nc2nccnc2-c2nn[n-]n2)n1 ZINC001575027928 951162968 /nfs/dbraw/zinc/16/29/68/951162968.db2.gz JACWOHWFHDZTDU-NSHDSACASA-N -1 1 383.416 1.069 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2ccncc21)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575027640 951163296 /nfs/dbraw/zinc/16/32/96/951163296.db2.gz HIYGMCBNMOKXGE-LBPRGKRZSA-N -1 1 389.423 1.460 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2ccncc21)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575027640 951163301 /nfs/dbraw/zinc/16/33/01/951163301.db2.gz HIYGMCBNMOKXGE-LBPRGKRZSA-N -1 1 389.423 1.460 20 0 GDADMM C[C@H](CNC(=O)c1cccc2c1CCC2)CNc1nccnc1-c1nnn[n-]1 ZINC001575029001 951180066 /nfs/dbraw/zinc/18/00/66/951180066.db2.gz QXWFPQSTMQDERZ-LBPRGKRZSA-N -1 1 378.440 1.623 20 0 GDADMM C[C@H](CNC(=O)c1cccc2c1CCC2)CNc1nccnc1-c1nn[n-]n1 ZINC001575029001 951180076 /nfs/dbraw/zinc/18/00/76/951180076.db2.gz QXWFPQSTMQDERZ-LBPRGKRZSA-N -1 1 378.440 1.623 20 0 GDADMM C[C@H](CNC(=O)c1cccc2c1OCC2)CNc1nccnc1-c1nnn[n-]1 ZINC001575029887 951188582 /nfs/dbraw/zinc/18/85/82/951188582.db2.gz YJAGVRRACZOIHO-NSHDSACASA-N -1 1 380.412 1.070 20 0 GDADMM C[C@H](CNC(=O)c1cccc2c1OCC2)CNc1nccnc1-c1nn[n-]n1 ZINC001575029887 951188588 /nfs/dbraw/zinc/18/85/88/951188588.db2.gz YJAGVRRACZOIHO-NSHDSACASA-N -1 1 380.412 1.070 20 0 GDADMM C[C@H](CNC(=O)c1cccc2ccncc21)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575030108 951194830 /nfs/dbraw/zinc/19/48/30/951194830.db2.gz ZTUNIQYQRHELRZ-LLVKDONJSA-N -1 1 375.396 1.435 20 0 GDADMM C[C@H](CNC(=O)c1cccc2ccncc21)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575030108 951194836 /nfs/dbraw/zinc/19/48/36/951194836.db2.gz ZTUNIQYQRHELRZ-LLVKDONJSA-N -1 1 375.396 1.435 20 0 GDADMM C[C@H](CNC(=O)c1ccncc1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001575034620 951253316 /nfs/dbraw/zinc/25/33/16/951253316.db2.gz OWKRSCJWZNJETA-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@H](CNC(=O)c1ccncc1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001575034620 951253331 /nfs/dbraw/zinc/25/33/31/951253331.db2.gz OWKRSCJWZNJETA-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@@H](CNC(=O)c1ccn(C2CCCC2)n1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575035112 951267948 /nfs/dbraw/zinc/26/79/48/951267948.db2.gz GIALUDVSPIRYPH-NSHDSACASA-N -1 1 382.432 1.199 20 0 GDADMM C[C@@H](CNC(=O)c1ccn(C2CCCC2)n1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575035112 951267962 /nfs/dbraw/zinc/26/79/62/951267962.db2.gz GIALUDVSPIRYPH-NSHDSACASA-N -1 1 382.432 1.199 20 0 GDADMM C[C@@H](CNC(=O)c1ccsc1Cl)CNc1nccnc1-c1nnn[n-]1 ZINC001575040077 951339974 /nfs/dbraw/zinc/33/99/74/951339974.db2.gz UAMZPEAQXFOANW-MRVPVSSYSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@@H](CNC(=O)c1ccsc1Cl)CNc1nccnc1-c1nn[n-]n1 ZINC001575040077 951339984 /nfs/dbraw/zinc/33/99/84/951339984.db2.gz UAMZPEAQXFOANW-MRVPVSSYSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@H](CNC(=O)c1csc2c1CCCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575060675 951545934 /nfs/dbraw/zinc/54/59/34/951545934.db2.gz CQDWRAJFDINSRB-SNVBAGLBSA-N -1 1 384.469 1.827 20 0 GDADMM C[C@H](CNC(=O)c1csc2c1CCCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575060675 951545945 /nfs/dbraw/zinc/54/59/45/951545945.db2.gz CQDWRAJFDINSRB-SNVBAGLBSA-N -1 1 384.469 1.827 20 0 GDADMM C[C@@H](CNC(=O)c1nc(Cl)cs1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575060815 951549104 /nfs/dbraw/zinc/54/91/04/951549104.db2.gz GYERKGIAGUHEOP-ZETCQYMHSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@@H](CNC(=O)c1nc(Cl)cs1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575060815 951549112 /nfs/dbraw/zinc/54/91/12/951549112.db2.gz GYERKGIAGUHEOP-ZETCQYMHSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@H](CNC(=O)c1ncccc1[O-])CNc1ncc(-c2nn[nH]n2)cc1Cl ZINC001575068283 951634101 /nfs/dbraw/zinc/63/41/01/951634101.db2.gz ZJVMCYGRHFKCEV-VIFPVBQESA-N -1 1 388.819 1.494 20 0 GDADMM C[C@H](CNC(=O)c1scnc1C1CC1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575069412 951643881 /nfs/dbraw/zinc/64/38/81/951643881.db2.gz ILQZURCHSRWAHY-VIFPVBQESA-N -1 1 385.457 1.469 20 0 GDADMM C[C@H](CNC(=O)c1scnc1C1CC1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575069412 951643884 /nfs/dbraw/zinc/64/38/84/951643884.db2.gz ILQZURCHSRWAHY-VIFPVBQESA-N -1 1 385.457 1.469 20 0 GDADMM O=C([O-])CN1CCC[C@H](C(=O)Nc2nc(-c3ccc4ccccc4n3)n[nH]2)C1=O ZINC001595086290 951731514 /nfs/dbraw/zinc/73/15/14/951731514.db2.gz AUDLNEBTBWJKTI-GFCCVEGCSA-N -1 1 394.391 1.282 20 0 GDADMM O=C([O-])CNC(=O)CN1CCc2[nH]cnc2[C@H]1c1ccc(Br)cc1 ZINC001595098278 951836042 /nfs/dbraw/zinc/83/60/42/951836042.db2.gz AKIVRYAEIJFKSY-MRXNPFEDSA-N -1 1 393.241 1.321 20 0 GDADMM O=C([O-])COCCOCCNC(=O)c1cc(Br)cc2nc[nH]c21 ZINC001595114540 951937263 /nfs/dbraw/zinc/93/72/63/951937263.db2.gz CGJCPHWAMVJSHY-UHFFFAOYSA-N -1 1 386.202 1.173 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)Cc1ccc(Cl)s1 ZINC001575131705 952086853 /nfs/dbraw/zinc/08/68/53/952086853.db2.gz AKZGUNDEXCLOEZ-SECBINFHSA-N -1 1 392.876 1.873 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)Cc1ccc(Cl)s1 ZINC001575131705 952086861 /nfs/dbraw/zinc/08/68/61/952086861.db2.gz AKZGUNDEXCLOEZ-SECBINFHSA-N -1 1 392.876 1.873 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cc(Cl)cn1C ZINC001575132552 952095462 /nfs/dbraw/zinc/09/54/62/952095462.db2.gz GCCVQXVFTAJLLR-VIFPVBQESA-N -1 1 375.824 1.221 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cc(Cl)cn1C ZINC001575132552 952095472 /nfs/dbraw/zinc/09/54/72/952095472.db2.gz GCCVQXVFTAJLLR-VIFPVBQESA-N -1 1 375.824 1.221 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ccc2c(c1)COC2 ZINC001575135851 952121406 /nfs/dbraw/zinc/12/14/06/952121406.db2.gz SIYPIPRPLYLAFB-NSHDSACASA-N -1 1 380.412 1.260 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ccc2c(c1)COC2 ZINC001575135851 952121410 /nfs/dbraw/zinc/12/14/10/952121410.db2.gz SIYPIPRPLYLAFB-NSHDSACASA-N -1 1 380.412 1.260 20 0 GDADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)C1CC1 ZINC001575136319 952124719 /nfs/dbraw/zinc/12/47/19/952124719.db2.gz ONNPXOSXWRKUIN-HXYMJUCXSA-N -1 1 382.472 1.212 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ccc(C(F)F)nc1 ZINC001575136329 952124842 /nfs/dbraw/zinc/12/48/42/952124842.db2.gz UWFLMICQHRUBPF-SECBINFHSA-N -1 1 389.370 1.562 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ccc(C(F)F)nc1 ZINC001575136329 952124843 /nfs/dbraw/zinc/12/48/43/952124843.db2.gz UWFLMICQHRUBPF-SECBINFHSA-N -1 1 389.370 1.562 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ccsc1Cl ZINC001575137102 952134305 /nfs/dbraw/zinc/13/43/05/952134305.db2.gz UJROGQZGMVIYSC-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ccsc1Cl ZINC001575137102 952134310 /nfs/dbraw/zinc/13/43/10/952134310.db2.gz UJROGQZGMVIYSC-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)c1occc1Cl)C1CC1 ZINC001575139703 952141214 /nfs/dbraw/zinc/14/12/14/952141214.db2.gz ATAGXEWAMPILOF-INIZCTEOSA-N -1 1 388.819 1.336 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)Cc1ccc2c(c1)CCC2 ZINC001575140722 952143806 /nfs/dbraw/zinc/14/38/06/952143806.db2.gz FUAMLGKDCIKLHH-CYBMUJFWSA-N -1 1 392.467 1.069 20 0 GDADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)c1ccoc1Cl)C1CC1 ZINC001575143644 952155820 /nfs/dbraw/zinc/15/58/20/952155820.db2.gz QHYOXPSINDUSDE-INIZCTEOSA-N -1 1 388.819 1.336 20 0 GDADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)c1sccc1F)C1CC1 ZINC001575144944 952175945 /nfs/dbraw/zinc/17/59/45/952175945.db2.gz ZLPPYFDXUHECMB-MRXNPFEDSA-N -1 1 388.432 1.290 20 0 GDADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)[C@@H]1CC12CCCC2)C1CC1 ZINC001575146176 952191625 /nfs/dbraw/zinc/19/16/25/952191625.db2.gz HHYGUZMOOZNSDM-SCLBCKFNSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)[C@@H]1CC12CCCC2)C1CC1 ZINC001575146176 952191631 /nfs/dbraw/zinc/19/16/31/952191631.db2.gz HHYGUZMOOZNSDM-SCLBCKFNSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)Cc1ccsc1)C1CC1 ZINC001575153435 952209961 /nfs/dbraw/zinc/20/99/61/952209961.db2.gz HJMXMMGQDFBBTB-QGZVFWFLSA-N -1 1 384.469 1.658 20 0 GDADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)Cc1ccsc1)C1CC1 ZINC001575153435 952209965 /nfs/dbraw/zinc/20/99/65/952209965.db2.gz HJMXMMGQDFBBTB-QGZVFWFLSA-N -1 1 384.469 1.658 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)CCCc1cccs1 ZINC001575155458 952241059 /nfs/dbraw/zinc/24/10/59/952241059.db2.gz YUSGFNBYJQNYOU-LBPRGKRZSA-N -1 1 386.485 2.000 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)CCCc1cccs1 ZINC001575155458 952241064 /nfs/dbraw/zinc/24/10/64/952241064.db2.gz YUSGFNBYJQNYOU-LBPRGKRZSA-N -1 1 386.485 2.000 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cc2n(c1)CCCC2 ZINC001575156048 952247705 /nfs/dbraw/zinc/24/77/05/952247705.db2.gz BTSHAEMXXWWNHG-GFCCVEGCSA-N -1 1 381.444 1.367 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc2n(c1)CCCC2 ZINC001575156048 952247709 /nfs/dbraw/zinc/24/77/09/952247709.db2.gz BTSHAEMXXWWNHG-GFCCVEGCSA-N -1 1 381.444 1.367 20 0 GDADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)c1cncc(F)c1)C1CC1 ZINC001575156217 952249870 /nfs/dbraw/zinc/24/98/70/952249870.db2.gz QWGMYIJNDFOEAL-KRWDZBQOSA-N -1 1 383.391 1.201 20 0 GDADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)c1cncc(F)c1)C1CC1 ZINC001575156217 952249876 /nfs/dbraw/zinc/24/98/76/952249876.db2.gz QWGMYIJNDFOEAL-KRWDZBQOSA-N -1 1 383.391 1.201 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1onc2c1CCCC2 ZINC001575156298 952251599 /nfs/dbraw/zinc/25/15/99/952251599.db2.gz SNOUZCCRIMIBBS-SNVBAGLBSA-N -1 1 383.416 1.096 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1onc2c1CCCC2 ZINC001575156298 952251608 /nfs/dbraw/zinc/25/16/08/952251608.db2.gz SNOUZCCRIMIBBS-SNVBAGLBSA-N -1 1 383.416 1.096 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ccnn1C1CCC1 ZINC001575156574 952255761 /nfs/dbraw/zinc/25/57/61/952255761.db2.gz UZMSLBKYDRXBOM-NSHDSACASA-N -1 1 382.432 1.151 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ccnn1C1CCC1 ZINC001575156574 952255765 /nfs/dbraw/zinc/25/57/65/952255765.db2.gz UZMSLBKYDRXBOM-NSHDSACASA-N -1 1 382.432 1.151 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1ccnc(C2CC2)c1 ZINC001575156672 952256646 /nfs/dbraw/zinc/25/66/46/952256646.db2.gz HKOSDRNLAZTQAX-LLVKDONJSA-N -1 1 379.428 1.502 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccnc(C2CC2)c1 ZINC001575156672 952256650 /nfs/dbraw/zinc/25/66/50/952256650.db2.gz HKOSDRNLAZTQAX-LLVKDONJSA-N -1 1 379.428 1.502 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)Cn1cccn1 ZINC001575164625 952295037 /nfs/dbraw/zinc/29/50/37/952295037.db2.gz GJUYOCDSUIPFNB-QMMMGPOBSA-N -1 1 381.853 1.132 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)Cn1cccn1 ZINC001575164625 952295046 /nfs/dbraw/zinc/29/50/46/952295046.db2.gz GJUYOCDSUIPFNB-QMMMGPOBSA-N -1 1 381.853 1.132 20 0 GDADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001575164544 952295490 /nfs/dbraw/zinc/29/54/90/952295490.db2.gz FJXUSDKXBDYIQW-HXFLIBJXSA-N -1 1 383.865 1.128 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)C1=COCCO1 ZINC001575164750 952299464 /nfs/dbraw/zinc/29/94/64/952299464.db2.gz HFUGZZJOILMZEN-SSDOTTSWSA-N -1 1 385.837 1.124 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)C1=COCCO1 ZINC001575164750 952299467 /nfs/dbraw/zinc/29/94/67/952299467.db2.gz HFUGZZJOILMZEN-SSDOTTSWSA-N -1 1 385.837 1.124 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)c1cncn1C ZINC001575166788 952329498 /nfs/dbraw/zinc/32/94/98/952329498.db2.gz ZEHXJKPPXYVZBD-SSDOTTSWSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)c1cncn1C ZINC001575166788 952329500 /nfs/dbraw/zinc/32/95/00/952329500.db2.gz ZEHXJKPPXYVZBD-SSDOTTSWSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)CC[C@@H]1CCOC1)C1CC1 ZINC001575173951 952358948 /nfs/dbraw/zinc/35/89/48/952358948.db2.gz DFHYLPQAXTXWDE-KZULUSFZSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)CC[C@@H]1CCOC1)C1CC1 ZINC001575173951 952358954 /nfs/dbraw/zinc/35/89/54/952358954.db2.gz DFHYLPQAXTXWDE-KZULUSFZSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@H]1Cc2ccc(F)cc21 ZINC001575174963 952381242 /nfs/dbraw/zinc/38/12/42/952381242.db2.gz UXPCNZXEODDEJL-HZMBPMFUSA-N -1 1 382.403 1.395 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@H]1Cc2ccc(F)cc21 ZINC001575174963 952381248 /nfs/dbraw/zinc/38/12/48/952381248.db2.gz UXPCNZXEODDEJL-HZMBPMFUSA-N -1 1 382.403 1.395 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)C(C)(C)c1cccnc1 ZINC001575175248 952383880 /nfs/dbraw/zinc/38/38/80/952383880.db2.gz WHOLAFNOLLAELK-GFCCVEGCSA-N -1 1 381.444 1.288 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)C(C)(C)c1cccnc1 ZINC001575175248 952383883 /nfs/dbraw/zinc/38/38/83/952383883.db2.gz WHOLAFNOLLAELK-GFCCVEGCSA-N -1 1 381.444 1.288 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)C[C@H]1CCCC1(F)F ZINC001575175173 952384004 /nfs/dbraw/zinc/38/40/04/952384004.db2.gz VNDRAXOBUNIVKO-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)C[C@H]1CCCC1(F)F ZINC001575175173 952384007 /nfs/dbraw/zinc/38/40/07/952384007.db2.gz VNDRAXOBUNIVKO-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C1CC1 ZINC001575176183 952390964 /nfs/dbraw/zinc/39/09/64/952390964.db2.gz ZBTFAWIRORITNH-YKNGJVEASA-N -1 1 398.471 1.169 20 0 GDADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C1CC1 ZINC001575176183 952390967 /nfs/dbraw/zinc/39/09/67/952390967.db2.gz ZBTFAWIRORITNH-YKNGJVEASA-N -1 1 398.471 1.169 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ccc(N(C)C)cc1 ZINC001575180188 952415537 /nfs/dbraw/zinc/41/55/37/952415537.db2.gz STLUXAVUGCDXAE-GFCCVEGCSA-N -1 1 381.444 1.295 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ccc(N(C)C)cc1 ZINC001575180188 952415540 /nfs/dbraw/zinc/41/55/40/952415540.db2.gz STLUXAVUGCDXAE-GFCCVEGCSA-N -1 1 381.444 1.295 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1c(F)cc(F)cc1F ZINC001575180621 952419622 /nfs/dbraw/zinc/41/96/22/952419622.db2.gz WLMMZLRXFNOKTR-MRVPVSSYSA-N -1 1 392.345 1.647 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1c(F)cc(F)cc1F ZINC001575180621 952419624 /nfs/dbraw/zinc/41/96/24/952419624.db2.gz WLMMZLRXFNOKTR-MRVPVSSYSA-N -1 1 392.345 1.647 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1c(F)cc(F)cc1F ZINC001575180634 952419645 /nfs/dbraw/zinc/41/96/45/952419645.db2.gz WLMMZLRXFNOKTR-QMMMGPOBSA-N -1 1 392.345 1.647 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1c(F)cc(F)cc1F ZINC001575180634 952419646 /nfs/dbraw/zinc/41/96/46/952419646.db2.gz WLMMZLRXFNOKTR-QMMMGPOBSA-N -1 1 392.345 1.647 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cnc2ccccc2n1 ZINC001575180973 952421228 /nfs/dbraw/zinc/42/12/28/952421228.db2.gz YZHMUWDSLZKHJS-LLVKDONJSA-N -1 1 390.411 1.173 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cnc2ccccc2n1 ZINC001575180973 952421231 /nfs/dbraw/zinc/42/12/31/952421231.db2.gz YZHMUWDSLZKHJS-LLVKDONJSA-N -1 1 390.411 1.173 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H](C)Cc1cccc(F)c1 ZINC001575187189 952439077 /nfs/dbraw/zinc/43/90/77/952439077.db2.gz AIXJFRPTAXMABM-VXGBXAGGSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)Cc1cccc(F)c1 ZINC001575187189 952439081 /nfs/dbraw/zinc/43/90/81/952439081.db2.gz AIXJFRPTAXMABM-VXGBXAGGSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CC[C@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575187669 952443374 /nfs/dbraw/zinc/44/33/74/952443374.db2.gz DOACLGMBZHLTFF-STQMWFEESA-N -1 1 382.428 1.166 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CC[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575187669 952443377 /nfs/dbraw/zinc/44/33/77/952443377.db2.gz DOACLGMBZHLTFF-STQMWFEESA-N -1 1 382.428 1.166 20 0 GDADMM C[C@@H](Cc1ccccc1F)C(=O)NCCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575190522 952462688 /nfs/dbraw/zinc/46/26/88/952462688.db2.gz TVSYHKABUJIQRG-LBPRGKRZSA-N -1 1 384.419 1.227 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575196170 952474593 /nfs/dbraw/zinc/47/45/93/952474593.db2.gz DXYWCWUFLAPUTO-STQMWFEESA-N -1 1 382.428 1.071 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575196170 952474597 /nfs/dbraw/zinc/47/45/97/952474597.db2.gz DXYWCWUFLAPUTO-STQMWFEESA-N -1 1 382.428 1.071 20 0 GDADMM CC(C)[C@H](CNC(=O)[C@@H](C)Cc1ccco1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575196926 952478328 /nfs/dbraw/zinc/47/83/28/952478328.db2.gz LDSQNMFNWIDNMD-WFASDCNBSA-N -1 1 384.444 1.681 20 0 GDADMM CC(C)[C@H](CNC(=O)[C@@H](C)Cc1ccco1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575196926 952478334 /nfs/dbraw/zinc/47/83/34/952478334.db2.gz LDSQNMFNWIDNMD-WFASDCNBSA-N -1 1 384.444 1.681 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575197210 952480182 /nfs/dbraw/zinc/48/01/82/952480182.db2.gz QESSYRBCDWQQPM-STQMWFEESA-N -1 1 382.428 1.531 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575197210 952480188 /nfs/dbraw/zinc/48/01/88/952480188.db2.gz QESSYRBCDWQQPM-STQMWFEESA-N -1 1 382.428 1.531 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575197229 952480962 /nfs/dbraw/zinc/48/09/62/952480962.db2.gz QOXXSGWOYITBME-CHWSQXEVSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575197229 952480966 /nfs/dbraw/zinc/48/09/66/952480966.db2.gz QOXXSGWOYITBME-CHWSQXEVSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001575197384 952482686 /nfs/dbraw/zinc/48/26/86/952482686.db2.gz VFXRLPDOYWQNSL-LBPRGKRZSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001575197384 952482690 /nfs/dbraw/zinc/48/26/90/952482690.db2.gz VFXRLPDOYWQNSL-LBPRGKRZSA-N -1 1 382.428 1.214 20 0 GDADMM Cc1cscc1C(=O)N1CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001571117700 952483611 /nfs/dbraw/zinc/48/36/11/952483611.db2.gz OIZKMRGVRHVQCM-UHFFFAOYSA-N -1 1 375.483 1.964 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575197458 952484634 /nfs/dbraw/zinc/48/46/34/952484634.db2.gz WKLYUZORFIMXCF-LBPRGKRZSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575197458 952484636 /nfs/dbraw/zinc/48/46/36/952484636.db2.gz WKLYUZORFIMXCF-LBPRGKRZSA-N -1 1 382.428 1.214 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)cc1 ZINC001571120355 952502336 /nfs/dbraw/zinc/50/23/36/952502336.db2.gz LJIVZBAIRUZTEB-OAHLLOKOSA-N -1 1 376.424 1.617 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571120355 952502338 /nfs/dbraw/zinc/50/23/38/952502338.db2.gz LJIVZBAIRUZTEB-OAHLLOKOSA-N -1 1 376.424 1.617 20 0 GDADMM O=C(N[C@@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2)c1ccccc1 ZINC001571120466 952503072 /nfs/dbraw/zinc/50/30/72/952503072.db2.gz NFXFXZTWZQMOSX-CQSZACIVSA-N -1 1 376.424 1.446 20 0 GDADMM O=C(N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC001571120905 952511249 /nfs/dbraw/zinc/51/12/49/952511249.db2.gz TUGLTRQHVWFUDC-QLFBSQMISA-N -1 1 376.424 1.155 20 0 GDADMM O=C(N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC001571120905 952511254 /nfs/dbraw/zinc/51/12/54/952511254.db2.gz TUGLTRQHVWFUDC-QLFBSQMISA-N -1 1 376.424 1.155 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cc(Cl)no1 ZINC001571121276 952517402 /nfs/dbraw/zinc/51/74/02/952517402.db2.gz ZSPUFNHTZDUMFS-SFYZADRCSA-N -1 1 375.780 1.013 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cc(Cl)no1 ZINC001571121276 952517405 /nfs/dbraw/zinc/51/74/05/952517405.db2.gz ZSPUFNHTZDUMFS-SFYZADRCSA-N -1 1 375.780 1.013 20 0 GDADMM O=C(c1csc(Cl)c1)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571121647 952521130 /nfs/dbraw/zinc/52/11/30/952521130.db2.gz BFKXGVLCMHQKAD-VIFPVBQESA-N -1 1 376.833 1.698 20 0 GDADMM O=C(c1csc(Cl)c1)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571121647 952521134 /nfs/dbraw/zinc/52/11/34/952521134.db2.gz BFKXGVLCMHQKAD-VIFPVBQESA-N -1 1 376.833 1.698 20 0 GDADMM CCc1nc(NC[C@@H]2CCC[C@H]2NC(=O)C(C)(C)F)cc(-c2nnn[n-]2)n1 ZINC001571121949 952523242 /nfs/dbraw/zinc/52/32/42/952523242.db2.gz GBXMWUULTBXXNL-WDEREUQCSA-N -1 1 376.440 1.664 20 0 GDADMM CCc1nc(NC[C@@H]2CCC[C@H]2NC(=O)C(C)(C)F)cc(-c2nn[n-]n2)n1 ZINC001571121949 952523246 /nfs/dbraw/zinc/52/32/46/952523246.db2.gz GBXMWUULTBXXNL-WDEREUQCSA-N -1 1 376.440 1.664 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)C1Cc2ccccc2C1 ZINC001571122383 952525421 /nfs/dbraw/zinc/52/54/21/952525421.db2.gz JFVPKGQIOLAQMF-SHTZXODSSA-N -1 1 376.424 1.131 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)C1Cc2ccccc2C1 ZINC001571122383 952525429 /nfs/dbraw/zinc/52/54/29/952525429.db2.gz JFVPKGQIOLAQMF-SHTZXODSSA-N -1 1 376.424 1.131 20 0 GDADMM CC[C@@H](F)C(=O)N1CCC(CN(CC)c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571123403 952530577 /nfs/dbraw/zinc/53/05/77/952530577.db2.gz RJUARZLUJYDJPJ-CYBMUJFWSA-N -1 1 376.440 1.470 20 0 GDADMM CC[C@@H](F)C(=O)N1CCC(CN(CC)c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571123403 952530582 /nfs/dbraw/zinc/53/05/82/952530582.db2.gz RJUARZLUJYDJPJ-CYBMUJFWSA-N -1 1 376.440 1.470 20 0 GDADMM O=C(c1ccc[nH]1)N1C[C@@H]2C[C@H]1CN2c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001571123430 952530872 /nfs/dbraw/zinc/53/08/72/952530872.db2.gz RXBKSWJSDOEXQE-YUMQZZPRSA-N -1 1 376.833 1.408 20 0 GDADMM O=C(c1ccc[nH]1)N1C[C@@H]2C[C@H]1CN2c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001571123430 952530876 /nfs/dbraw/zinc/53/08/76/952530876.db2.gz RXBKSWJSDOEXQE-YUMQZZPRSA-N -1 1 376.833 1.408 20 0 GDADMM Cc1nsc(NC[C@H]2CN(C(=O)C3(C)CC3)CCCO2)c1-c1nn[n-]n1 ZINC001571127388 952553768 /nfs/dbraw/zinc/55/37/68/952553768.db2.gz GCYZWWHOHQLWDC-NSHDSACASA-N -1 1 377.474 1.461 20 0 GDADMM Cc1nsc(N2CCC[C@@H](CNC(=O)[C@H]3CCOC3)C2)c1-c1nn[n-]n1 ZINC001571127418 952555440 /nfs/dbraw/zinc/55/54/40/952555440.db2.gz GXDSQMIWBDCFLL-RYUDHWBXSA-N -1 1 377.474 1.001 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001575214108 952561299 /nfs/dbraw/zinc/56/12/99/952561299.db2.gz HSVAQQYKKFUMQW-PHIMTYICSA-N -1 1 392.414 1.518 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001575214108 952561304 /nfs/dbraw/zinc/56/13/04/952561304.db2.gz HSVAQQYKKFUMQW-PHIMTYICSA-N -1 1 392.414 1.518 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCC1 ZINC001575214913 952566700 /nfs/dbraw/zinc/56/67/00/952566700.db2.gz PJLIIGMUYQEWCH-UHFFFAOYSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCC1 ZINC001575214913 952566704 /nfs/dbraw/zinc/56/67/04/952566704.db2.gz PJLIIGMUYQEWCH-UHFFFAOYSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1 ZINC001575214676 952567144 /nfs/dbraw/zinc/56/71/44/952567144.db2.gz NVFNKZPIPWUZFO-VWYCJHECSA-N -1 1 392.414 1.564 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1 ZINC001575214676 952567152 /nfs/dbraw/zinc/56/71/52/952567152.db2.gz NVFNKZPIPWUZFO-VWYCJHECSA-N -1 1 392.414 1.564 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571129714 952576800 /nfs/dbraw/zinc/57/68/00/952576800.db2.gz IFLBZBHXNHJUQU-GXSJLCMTSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571129714 952576805 /nfs/dbraw/zinc/57/68/05/952576805.db2.gz IFLBZBHXNHJUQU-GXSJLCMTSA-N -1 1 378.387 1.351 20 0 GDADMM CN(C(=O)[C@H]1CCC(F)(F)C1)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571130704 952581611 /nfs/dbraw/zinc/58/16/11/952581611.db2.gz UTQWEJVFJVTPPP-QWRGUYRKSA-N -1 1 378.387 1.129 20 0 GDADMM CN(C(=O)[C@H]1CCC(F)(F)C1)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571130704 952581614 /nfs/dbraw/zinc/58/16/14/952581614.db2.gz UTQWEJVFJVTPPP-QWRGUYRKSA-N -1 1 378.387 1.129 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@@H]2[C@H](CCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001571130934 952582721 /nfs/dbraw/zinc/58/27/21/952582721.db2.gz ZBFYXARPGBIGOT-GHMZBOCLSA-N -1 1 378.387 1.129 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@@H]2[C@H](CCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001571130934 952582725 /nfs/dbraw/zinc/58/27/25/952582725.db2.gz ZBFYXARPGBIGOT-GHMZBOCLSA-N -1 1 378.387 1.129 20 0 GDADMM Cc1cccc(C(=O)NC[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c1C ZINC001571134029 952585084 /nfs/dbraw/zinc/58/50/84/952585084.db2.gz BSTHEEGWFVFHDK-OKILXGFUSA-N -1 1 378.440 1.316 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H]3OCCN(Cc4ccccc4)[C@H]3C2)n1 ZINC001571134300 952588303 /nfs/dbraw/zinc/58/83/03/952588303.db2.gz DIFFTYXIARLTAD-DLBZAZTESA-N -1 1 378.440 1.055 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571134405 952589734 /nfs/dbraw/zinc/58/97/34/952589734.db2.gz FRVUVDBMHCNHJH-GASCZTMLSA-N -1 1 378.440 1.575 20 0 GDADMM Cc1cccc(C(=O)N(C)[C@@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)c1 ZINC001571134541 952592296 /nfs/dbraw/zinc/59/22/96/952592296.db2.gz KORPSIVAAIDQJT-OAHLLOKOSA-N -1 1 378.440 1.624 20 0 GDADMM Cc1cccc(C(=O)N(C)[C@@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)c1 ZINC001571134541 952592297 /nfs/dbraw/zinc/59/22/97/952592297.db2.gz KORPSIVAAIDQJT-OAHLLOKOSA-N -1 1 378.440 1.624 20 0 GDADMM Cc1ccccc1CC(=O)N1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571135222 952601262 /nfs/dbraw/zinc/60/12/62/952601262.db2.gz TYGZXFWTHCQAHH-CQSZACIVSA-N -1 1 378.440 1.468 20 0 GDADMM Cc1ccccc1CC(=O)N1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571135222 952601265 /nfs/dbraw/zinc/60/12/65/952601265.db2.gz TYGZXFWTHCQAHH-CQSZACIVSA-N -1 1 378.440 1.468 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)Cc3ccccc3C)C2)n1 ZINC001571135328 952602857 /nfs/dbraw/zinc/60/28/57/952602857.db2.gz UFIGMDADJSONBX-HNNXBMFYSA-N -1 1 378.440 1.211 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)Cc3ccccc3C)C2)n1 ZINC001571135328 952602860 /nfs/dbraw/zinc/60/28/60/952602860.db2.gz UFIGMDADJSONBX-HNNXBMFYSA-N -1 1 378.440 1.211 20 0 GDADMM Cc1ccccc1C(=O)N[C@@H]1CC[C@H](C)N(c2nccnc2-c2nnn[n-]2)C1 ZINC001571135440 952603883 /nfs/dbraw/zinc/60/38/83/952603883.db2.gz XRVLOPFROWWLRH-UONOGXRCSA-N -1 1 378.440 1.752 20 0 GDADMM Cc1ccccc1C(=O)N[C@@H]1CC[C@H](C)N(c2nccnc2-c2nn[n-]n2)C1 ZINC001571135440 952603885 /nfs/dbraw/zinc/60/38/85/952603885.db2.gz XRVLOPFROWWLRH-UONOGXRCSA-N -1 1 378.440 1.752 20 0 GDADMM Cc1cc(C)cc(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)[C@@H]2C)c1 ZINC001571135544 952605818 /nfs/dbraw/zinc/60/58/18/952605818.db2.gz WHBRYZVHTXDQLM-ZFWWWQNUSA-N -1 1 378.440 1.989 20 0 GDADMM Cc1cc(C)cc(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)[C@@H]2C)c1 ZINC001571135544 952605828 /nfs/dbraw/zinc/60/58/28/952605828.db2.gz WHBRYZVHTXDQLM-ZFWWWQNUSA-N -1 1 378.440 1.989 20 0 GDADMM Cc1cc(C)cc(C(=O)N2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C[C@@H]2C)c1 ZINC001571135610 952605895 /nfs/dbraw/zinc/60/58/95/952605895.db2.gz YPWNQYUQAJUVRD-ZFWWWQNUSA-N -1 1 378.440 1.989 20 0 GDADMM Cc1cc(C)cc(C(=O)N2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C[C@@H]2C)c1 ZINC001571135610 952605899 /nfs/dbraw/zinc/60/58/99/952605899.db2.gz YPWNQYUQAJUVRD-ZFWWWQNUSA-N -1 1 378.440 1.989 20 0 GDADMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)s1)c1ccccc1 ZINC001571140343 952624321 /nfs/dbraw/zinc/62/43/21/952624321.db2.gz BOMUUKCBPDPRCN-GFCCVEGCSA-N -1 1 379.423 1.121 20 0 GDADMM C[C@@H](NC(=O)c1cccnc1)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571146979 952655592 /nfs/dbraw/zinc/65/55/92/952655592.db2.gz FKDYRTCZIWXQGQ-GFCCVEGCSA-N -1 1 379.428 1.087 20 0 GDADMM C[C@@H](NC(=O)c1cccnc1)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571146979 952655597 /nfs/dbraw/zinc/65/55/97/952655597.db2.gz FKDYRTCZIWXQGQ-GFCCVEGCSA-N -1 1 379.428 1.087 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CC[C@@H]2[C@H](CCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001571146960 952655622 /nfs/dbraw/zinc/65/56/22/952655622.db2.gz DSTFPGJNCSWEQK-TZMCWYRMSA-N -1 1 379.428 1.034 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CC[C@@H]2[C@H](CCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001571146960 952655625 /nfs/dbraw/zinc/65/56/25/952655625.db2.gz DSTFPGJNCSWEQK-TZMCWYRMSA-N -1 1 379.428 1.034 20 0 GDADMM O=C(c1cc2c([nH]1)CCC2)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571147049 952656063 /nfs/dbraw/zinc/65/60/63/952656063.db2.gz RAVPBFAQGIMIDD-LBPRGKRZSA-N -1 1 379.428 1.190 20 0 GDADMM O=C(c1cc2c([nH]1)CCC2)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571147049 952656068 /nfs/dbraw/zinc/65/60/68/952656068.db2.gz RAVPBFAQGIMIDD-LBPRGKRZSA-N -1 1 379.428 1.190 20 0 GDADMM CCc1cccnc1C(=O)N1C[C@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571148064 952665315 /nfs/dbraw/zinc/66/53/15/952665315.db2.gz UEJVPGHVEQAHKN-SMDDNHRTSA-N -1 1 379.428 1.187 20 0 GDADMM CCc1cccnc1C(=O)N1C[C@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571148064 952665316 /nfs/dbraw/zinc/66/53/16/952665316.db2.gz UEJVPGHVEQAHKN-SMDDNHRTSA-N -1 1 379.428 1.187 20 0 GDADMM O=C(C1CC1)N1CCC[C@H]2[C@H]1CCN2c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001571152049 952681581 /nfs/dbraw/zinc/68/15/81/952681581.db2.gz BSFLTAQEVXQDGV-VHSXEESVSA-N -1 1 379.877 1.956 20 0 GDADMM O=C(Nc1ccc(CN2CCOC2=O)cc1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001571152232 952681870 /nfs/dbraw/zinc/68/18/70/952681870.db2.gz FIRFHUMRCKCYFF-UHFFFAOYSA-N -1 1 380.368 1.858 20 0 GDADMM O=C(Nc1ccc(CN2CCOC2=O)cc1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001571152232 952681874 /nfs/dbraw/zinc/68/18/74/952681874.db2.gz FIRFHUMRCKCYFF-UHFFFAOYSA-N -1 1 380.368 1.858 20 0 GDADMM C[C@H]1CCCN(C(=O)CC(C)(F)F)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571155035 952691796 /nfs/dbraw/zinc/69/17/96/952691796.db2.gz FJWRCWRDYJKSJX-WDEREUQCSA-N -1 1 380.403 1.163 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCCCN2C(=O)CC(C)(F)F)n1 ZINC001571155133 952692340 /nfs/dbraw/zinc/69/23/40/952692340.db2.gz IRYKYQHQSOEFFA-LLVKDONJSA-N -1 1 380.403 1.803 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCCCN2C(=O)CC(C)(F)F)n1 ZINC001571155133 952692343 /nfs/dbraw/zinc/69/23/43/952692343.db2.gz IRYKYQHQSOEFFA-LLVKDONJSA-N -1 1 380.403 1.803 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)[C@H]2CCN(C(=O)CC(C)(F)F)C2)n1 ZINC001571155537 952698269 /nfs/dbraw/zinc/69/82/69/952698269.db2.gz VSXSGVNXXVQBSR-MNOVXSKESA-N -1 1 380.403 1.659 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)[C@H]2CCN(C(=O)CC(C)(F)F)C2)n1 ZINC001571155537 952698272 /nfs/dbraw/zinc/69/82/72/952698272.db2.gz VSXSGVNXXVQBSR-MNOVXSKESA-N -1 1 380.403 1.659 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)N(c3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001571156757 952704851 /nfs/dbraw/zinc/70/48/51/952704851.db2.gz IWCMRETUHOLKQN-GXTWGEPZSA-N -1 1 379.428 1.147 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)N(c3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001571156757 952704855 /nfs/dbraw/zinc/70/48/55/952704855.db2.gz IWCMRETUHOLKQN-GXTWGEPZSA-N -1 1 379.428 1.147 20 0 GDADMM Cc1cc(C(=O)NC[C@@H]2CCCCN2c2ccc(-c3nnn[n-]3)nn2)ccn1 ZINC001571157261 952706820 /nfs/dbraw/zinc/70/68/20/952706820.db2.gz OFNVPDFKZDUHGL-AWEZNQCLSA-N -1 1 379.428 1.149 20 0 GDADMM Cc1cc(C(=O)NC[C@@H]2CCCCN2c2ccc(-c3nn[n-]n3)nn2)ccn1 ZINC001571157261 952706822 /nfs/dbraw/zinc/70/68/22/952706822.db2.gz OFNVPDFKZDUHGL-AWEZNQCLSA-N -1 1 379.428 1.149 20 0 GDADMM Cc1cccnc1C(=O)N[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C ZINC001571158032 952709246 /nfs/dbraw/zinc/70/92/46/952709246.db2.gz QADDNCYIRBRYCK-LBPRGKRZSA-N -1 1 379.428 1.005 20 0 GDADMM Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2ccnc(-c3nn[n-]n3)n2)o1 ZINC001571159332 952718687 /nfs/dbraw/zinc/71/86/87/952718687.db2.gz USKKEXOBJIOPCE-YHWZYXNKSA-N -1 1 380.412 1.488 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NCC[C@@H]2CCN(C(=O)c3ccncc3)C2)n1 ZINC001571159767 952721778 /nfs/dbraw/zinc/72/17/78/952721778.db2.gz WJTNRJWJWVVEOU-CYBMUJFWSA-N -1 1 379.428 1.324 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NCC[C@@H]2CCN(C(=O)c3ccncc3)C2)n1 ZINC001571159767 952721780 /nfs/dbraw/zinc/72/17/80/952721780.db2.gz WJTNRJWJWVVEOU-CYBMUJFWSA-N -1 1 379.428 1.324 20 0 GDADMM O=C(c1ccoc1)N1CCC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CC[C@@H]21 ZINC001571161218 952731042 /nfs/dbraw/zinc/73/10/42/952731042.db2.gz RJZDRARSPFQBBV-JSGCOSHPSA-N -1 1 380.412 1.381 20 0 GDADMM O=C(c1ccoc1)N1CCC[C@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001571161387 952731593 /nfs/dbraw/zinc/73/15/93/952731593.db2.gz UGBHOPYCSGWIAO-GOSISDBHSA-N -1 1 380.412 1.382 20 0 GDADMM O=C(c1ccoc1)N1CCC[C@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001571161387 952731594 /nfs/dbraw/zinc/73/15/94/952731594.db2.gz UGBHOPYCSGWIAO-GOSISDBHSA-N -1 1 380.412 1.382 20 0 GDADMM CN1CCN(S(=O)(=O)c2ccsc2-c2nn[n-]n2)c2cc(F)ccc21 ZINC001571167028 952768955 /nfs/dbraw/zinc/76/89/55/952768955.db2.gz TUUSHUGAEOPSFQ-UHFFFAOYSA-N -1 1 380.430 1.712 20 0 GDADMM O=C(N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)[C@@H]1CC2CCC1CC2 ZINC001571171708 952796089 /nfs/dbraw/zinc/79/60/89/952796089.db2.gz DNGTYYJTOXLUDS-JLBMOPMTSA-N -1 1 380.456 1.034 20 0 GDADMM O=C(N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)[C@@H]1CC2CCC1CC2 ZINC001571171708 952796094 /nfs/dbraw/zinc/79/60/94/952796094.db2.gz DNGTYYJTOXLUDS-JLBMOPMTSA-N -1 1 380.456 1.034 20 0 GDADMM O=C(N1CC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1)C1(C2CC2)CC1 ZINC001571171879 952798406 /nfs/dbraw/zinc/79/84/06/952798406.db2.gz HNTNFTXGMXDINW-GOSISDBHSA-N -1 1 380.456 1.276 20 0 GDADMM O=C(N1CC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1)C1(C2CC2)CC1 ZINC001571171879 952798409 /nfs/dbraw/zinc/79/84/09/952798409.db2.gz HNTNFTXGMXDINW-GOSISDBHSA-N -1 1 380.456 1.276 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)c3cc[nH]c3C)[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571183433 952877576 /nfs/dbraw/zinc/87/75/76/952877576.db2.gz ACGMNDWAYLXWAO-WCQYABFASA-N -1 1 381.444 1.571 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)c3cc[nH]c3C)[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571183433 952877577 /nfs/dbraw/zinc/87/75/77/952877577.db2.gz ACGMNDWAYLXWAO-WCQYABFASA-N -1 1 381.444 1.571 20 0 GDADMM CCn1c(C)cc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1C ZINC001571183860 952884712 /nfs/dbraw/zinc/88/47/12/952884712.db2.gz LCXKEUHVFPKMKB-ZDUSSCGKSA-N -1 1 381.444 1.104 20 0 GDADMM Cc1[nH]ccc1C(=O)NC[C@H]1CCCCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571184984 952897863 /nfs/dbraw/zinc/89/78/63/952897863.db2.gz GIJZKVCMIVSFRT-CYBMUJFWSA-N -1 1 381.444 1.472 20 0 GDADMM Cc1[nH]ccc1C(=O)NC[C@H]1CCCCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571184984 952897870 /nfs/dbraw/zinc/89/78/70/952897870.db2.gz GIJZKVCMIVSFRT-CYBMUJFWSA-N -1 1 381.444 1.472 20 0 GDADMM CCn1cccc1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001571185014 952898614 /nfs/dbraw/zinc/89/86/14/952898614.db2.gz GSFXHGSKYCEWMH-STQMWFEESA-N -1 1 381.444 1.265 20 0 GDADMM CCn1cccc1C(=O)N[C@@H]1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571185140 952899949 /nfs/dbraw/zinc/89/99/49/952899949.db2.gz IVXVEZRCNDBQRB-CHWSQXEVSA-N -1 1 381.444 1.489 20 0 GDADMM CCn1cccc1C(=O)N[C@@H]1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571185140 952899955 /nfs/dbraw/zinc/89/99/55/952899955.db2.gz IVXVEZRCNDBQRB-CHWSQXEVSA-N -1 1 381.444 1.489 20 0 GDADMM Cc1cc(C(=O)N2C[C@H](Nc3nccnc3-c3nnn[n-]3)C(C)(C)C2)c(C)[nH]1 ZINC001571186043 952904667 /nfs/dbraw/zinc/90/46/67/952904667.db2.gz QPTXOPCSTXUABX-ZDUSSCGKSA-N -1 1 381.444 1.564 20 0 GDADMM Cc1cc(C(=O)N2C[C@H](Nc3nccnc3-c3nn[n-]n3)C(C)(C)C2)c(C)[nH]1 ZINC001571186043 952904669 /nfs/dbraw/zinc/90/46/69/952904669.db2.gz QPTXOPCSTXUABX-ZDUSSCGKSA-N -1 1 381.444 1.564 20 0 GDADMM CN(C[C@H]1CCCCN1C(=O)c1ccn(C)c1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571186261 952905145 /nfs/dbraw/zinc/90/51/45/952905145.db2.gz UPDKAXKSQYHJOF-CQSZACIVSA-N -1 1 381.444 1.126 20 0 GDADMM CN(C[C@H]1CCCCN1C(=O)c1ccn(C)c1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571186261 952905150 /nfs/dbraw/zinc/90/51/50/952905150.db2.gz UPDKAXKSQYHJOF-CQSZACIVSA-N -1 1 381.444 1.126 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)[C@@H]2CCCCN2C(=O)c2cc[nH]c2)n1 ZINC001571186595 952908182 /nfs/dbraw/zinc/90/81/82/952908182.db2.gz XXSHUTUGUMKZGI-DOMZBBRYSA-N -1 1 381.444 1.789 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)[C@@H]2CCCCN2C(=O)c2cc[nH]c2)n1 ZINC001571186595 952908185 /nfs/dbraw/zinc/90/81/85/952908185.db2.gz XXSHUTUGUMKZGI-DOMZBBRYSA-N -1 1 381.444 1.789 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@H]2CC[C@H](C)N(c3cncc(-c4nnn[n-]4)n3)C2)[nH]1 ZINC001571187694 952909464 /nfs/dbraw/zinc/90/94/64/952909464.db2.gz AQTGORAYRPWYAE-STQMWFEESA-N -1 1 381.444 1.389 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@H]2CC[C@H](C)N(c3cncc(-c4nn[n-]n4)n3)C2)[nH]1 ZINC001571187694 952909466 /nfs/dbraw/zinc/90/94/66/952909466.db2.gz AQTGORAYRPWYAE-STQMWFEESA-N -1 1 381.444 1.389 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)c(C)[nH]1 ZINC001571187927 952909757 /nfs/dbraw/zinc/90/97/57/952909757.db2.gz CXUUOMMJINJKHY-ZDUSSCGKSA-N -1 1 381.444 1.566 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)c(C)[nH]1 ZINC001571187927 952909762 /nfs/dbraw/zinc/90/97/62/952909762.db2.gz CXUUOMMJINJKHY-ZDUSSCGKSA-N -1 1 381.444 1.566 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CCC[C@@H]([C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571188001 952910903 /nfs/dbraw/zinc/91/09/03/952910903.db2.gz FMNRHFXYYZDTTE-QWHCGFSZSA-N -1 1 381.444 1.646 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CCC[C@@H]([C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571188001 952910914 /nfs/dbraw/zinc/91/09/14/952910914.db2.gz FMNRHFXYYZDTTE-QWHCGFSZSA-N -1 1 381.444 1.646 20 0 GDADMM CC[C@@H](CNC(=O)NCc1nc(-c2nnn[n-]2)cs1)C(=O)OC(C)(C)C ZINC001571189013 952923155 /nfs/dbraw/zinc/92/31/55/952923155.db2.gz LXVPHGIYNYJXFS-VIFPVBQESA-N -1 1 381.462 1.490 20 0 GDADMM CC[C@@H](CNC(=O)NCc1nc(-c2nn[n-]n2)cs1)C(=O)OC(C)(C)C ZINC001571189013 952923160 /nfs/dbraw/zinc/92/31/60/952923160.db2.gz LXVPHGIYNYJXFS-VIFPVBQESA-N -1 1 381.462 1.490 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CCC([C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571189344 952927889 /nfs/dbraw/zinc/92/78/89/952927889.db2.gz VFNCHWKWWWCQFV-GFCCVEGCSA-N -1 1 381.444 1.646 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CCC([C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571189344 952927893 /nfs/dbraw/zinc/92/78/93/952927893.db2.gz VFNCHWKWWWCQFV-GFCCVEGCSA-N -1 1 381.444 1.646 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)N(c3cncc(-c4nnn[n-]4)n3)C2)n1C ZINC001571189517 952931194 /nfs/dbraw/zinc/93/11/94/952931194.db2.gz WPLLBTXFYSXOMD-CHWSQXEVSA-N -1 1 381.444 1.091 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)N(c3cncc(-c4nn[n-]n4)n3)C2)n1C ZINC001571189517 952931198 /nfs/dbraw/zinc/93/11/98/952931198.db2.gz WPLLBTXFYSXOMD-CHWSQXEVSA-N -1 1 381.444 1.091 20 0 GDADMM O=C(C1=CCOCC1)N1CC[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571190502 952943280 /nfs/dbraw/zinc/94/32/80/952943280.db2.gz KEWGLXMLKWXKSW-SECBINFHSA-N -1 1 381.849 1.336 20 0 GDADMM O=C(CC(F)(F)F)N1CC[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571190827 952944656 /nfs/dbraw/zinc/94/46/56/952944656.db2.gz MWIHENLVUDGBGJ-RXMQYKEDSA-N -1 1 381.771 1.942 20 0 GDADMM O=C(CC(F)(F)F)N1CC[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571190827 952944662 /nfs/dbraw/zinc/94/46/62/952944662.db2.gz MWIHENLVUDGBGJ-RXMQYKEDSA-N -1 1 381.771 1.942 20 0 GDADMM O=c1cc(CN(CCC(F)(F)F)CC2CC2)nc2c(-c3nn[nH]n3)c[n-]n21 ZINC001571194304 952960786 /nfs/dbraw/zinc/96/07/86/952960786.db2.gz KCAZTEIIRJFLAI-UHFFFAOYSA-N -1 1 382.350 1.779 20 0 GDADMM Cc1ccc(C(=O)NCC2CC(Nc3nccnc3-c3nnn[n-]3)C2)cc1F ZINC001571195714 952977485 /nfs/dbraw/zinc/97/74/85/952977485.db2.gz DYYKBXAGSCZAFD-UHFFFAOYSA-N -1 1 382.403 1.725 20 0 GDADMM Cc1ccc(C(=O)NCC2CC(Nc3nccnc3-c3nn[n-]n3)C2)cc1F ZINC001571195714 952977491 /nfs/dbraw/zinc/97/74/91/952977491.db2.gz DYYKBXAGSCZAFD-UHFFFAOYSA-N -1 1 382.403 1.725 20 0 GDADMM C[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccccc1F ZINC001571195670 952977958 /nfs/dbraw/zinc/97/79/58/952977958.db2.gz DECMQNRPYMYBDR-NEPJUHHUSA-N -1 1 382.403 1.901 20 0 GDADMM C[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccccc1F ZINC001571195670 952977962 /nfs/dbraw/zinc/97/79/62/952977962.db2.gz DECMQNRPYMYBDR-NEPJUHHUSA-N -1 1 382.403 1.901 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)c(F)c1 ZINC001571196901 952984623 /nfs/dbraw/zinc/98/46/23/952984623.db2.gz PEVRTBOUTGAERZ-LBPRGKRZSA-N -1 1 382.403 1.821 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)c(F)c1 ZINC001571196901 952984626 /nfs/dbraw/zinc/98/46/26/952984626.db2.gz PEVRTBOUTGAERZ-LBPRGKRZSA-N -1 1 382.403 1.821 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccc(CF)cc1 ZINC001571196934 952984722 /nfs/dbraw/zinc/98/47/22/952984722.db2.gz QCJGSEAYCIYPMO-RISCZKNCSA-N -1 1 382.403 1.841 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(CF)cc1 ZINC001571196934 952984725 /nfs/dbraw/zinc/98/47/25/952984725.db2.gz QCJGSEAYCIYPMO-RISCZKNCSA-N -1 1 382.403 1.841 20 0 GDADMM C[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1NC(=O)c1ccc(CF)cc1 ZINC001571197327 952988318 /nfs/dbraw/zinc/98/83/18/952988318.db2.gz WTQFVDBDORHHOI-IAQYHMDHSA-N -1 1 382.403 1.381 20 0 GDADMM C[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)c1ccc(CF)cc1 ZINC001571197327 952988321 /nfs/dbraw/zinc/98/83/21/952988321.db2.gz WTQFVDBDORHHOI-IAQYHMDHSA-N -1 1 382.403 1.381 20 0 GDADMM Cc1cc(F)cc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@@H]2C)c1 ZINC001571197433 952989425 /nfs/dbraw/zinc/98/94/25/952989425.db2.gz ZVGLYBZJZXANRN-FZMZJTMJSA-N -1 1 382.403 1.241 20 0 GDADMM CN(C[C@H]1CCCCN1C(=O)Cc1ccco1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571199632 953003321 /nfs/dbraw/zinc/00/33/21/953003321.db2.gz XBRCHFZHHQMXNT-CYBMUJFWSA-N -1 1 382.428 1.310 20 0 GDADMM CN(C[C@H]1CCCCN1C(=O)Cc1ccco1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571199632 953003323 /nfs/dbraw/zinc/00/33/23/953003323.db2.gz XBRCHFZHHQMXNT-CYBMUJFWSA-N -1 1 382.428 1.310 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)[C@@H](F)c1ccccc1 ZINC001571199772 953004476 /nfs/dbraw/zinc/00/44/76/953004476.db2.gz BPTISMBDWNPOEI-HIFRSBDPSA-N -1 1 382.403 1.453 20 0 GDADMM Cc1ccc([C@H](C)C(=O)N2CCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)o1 ZINC001571201025 953013777 /nfs/dbraw/zinc/01/37/77/953013777.db2.gz IENMAXQLKQXWPS-STQMWFEESA-N -1 1 382.428 1.187 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@@H]2CCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)o1 ZINC001571201393 953017730 /nfs/dbraw/zinc/01/77/30/953017730.db2.gz LUOHQWWQRDCERP-QWHCGFSZSA-N -1 1 382.428 1.877 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@@H]2CCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)o1 ZINC001571201393 953017735 /nfs/dbraw/zinc/01/77/35/953017735.db2.gz LUOHQWWQRDCERP-QWHCGFSZSA-N -1 1 382.428 1.877 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)Cc3ccco3)[C@H](C)C2)n1 ZINC001571201732 953019339 /nfs/dbraw/zinc/01/93/39/953019339.db2.gz NSSIBEYAIFPWQJ-CHWSQXEVSA-N -1 1 382.428 1.592 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)Cc3ccco3)[C@H](C)C2)n1 ZINC001571201732 953019343 /nfs/dbraw/zinc/01/93/43/953019343.db2.gz NSSIBEYAIFPWQJ-CHWSQXEVSA-N -1 1 382.428 1.592 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@@H]2CC[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)o1 ZINC001571201724 953019902 /nfs/dbraw/zinc/01/99/02/953019902.db2.gz NMSUDIJMHJSJKB-QWHCGFSZSA-N -1 1 382.428 1.877 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@@H]2CC[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)o1 ZINC001571201724 953019906 /nfs/dbraw/zinc/01/99/06/953019906.db2.gz NMSUDIJMHJSJKB-QWHCGFSZSA-N -1 1 382.428 1.877 20 0 GDADMM Cc1cc(C)c(C(=O)N2CCC[C@H](N(C)c3nccnc3-c3nnn[n-]3)C2)o1 ZINC001571201862 953021305 /nfs/dbraw/zinc/02/13/05/953021305.db2.gz ORRXRZZWIMZFDM-ZDUSSCGKSA-N -1 1 382.428 1.608 20 0 GDADMM Cc1cc(C)c(C(=O)N2CCC[C@H](N(C)c3nccnc3-c3nn[n-]n3)C2)o1 ZINC001571201862 953021309 /nfs/dbraw/zinc/02/13/09/953021309.db2.gz ORRXRZZWIMZFDM-ZDUSSCGKSA-N -1 1 382.428 1.608 20 0 GDADMM CCCc1occc1C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)[C@H]1C ZINC001571202077 953022075 /nfs/dbraw/zinc/02/20/75/953022075.db2.gz UZLIICRMPWMAFS-DGCLKSJQSA-N -1 1 382.428 1.917 20 0 GDADMM CCCc1occc1C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)[C@H]1C ZINC001571202077 953022078 /nfs/dbraw/zinc/02/20/78/953022078.db2.gz UZLIICRMPWMAFS-DGCLKSJQSA-N -1 1 382.428 1.917 20 0 GDADMM CC1(C)CN(C(=O)CCc2ccco2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571202007 953022085 /nfs/dbraw/zinc/02/20/85/953022085.db2.gz UJDHDJSXNCBWRE-CQSZACIVSA-N -1 1 382.428 1.531 20 0 GDADMM CC1(C)CN(C(=O)CCc2ccco2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571202007 953022087 /nfs/dbraw/zinc/02/20/87/953022087.db2.gz UJDHDJSXNCBWRE-CQSZACIVSA-N -1 1 382.428 1.531 20 0 GDADMM Cc1ccoc1C(=O)N1CC[C@@H](C)[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571202835 953029520 /nfs/dbraw/zinc/02/95/20/953029520.db2.gz ZMDTVCCEVYQUIM-DGCLKSJQSA-N -1 1 382.428 1.768 20 0 GDADMM Cc1ccoc1C(=O)N1CC[C@@H](C)[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571202835 953029524 /nfs/dbraw/zinc/02/95/24/953029524.db2.gz ZMDTVCCEVYQUIM-DGCLKSJQSA-N -1 1 382.428 1.768 20 0 GDADMM Cc1occc1C(=O)N[C@H](C)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571205776 953042731 /nfs/dbraw/zinc/04/27/31/953042731.db2.gz LVNMAOOFTVPSLO-DGCLKSJQSA-N -1 1 382.428 1.593 20 0 GDADMM Cc1occc1C(=O)N[C@H](C)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571205776 953042735 /nfs/dbraw/zinc/04/27/35/953042735.db2.gz LVNMAOOFTVPSLO-DGCLKSJQSA-N -1 1 382.428 1.593 20 0 GDADMM Cc1occc1C(=O)N1CCC[C@H](C)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571206208 953048283 /nfs/dbraw/zinc/04/82/83/953048283.db2.gz NAMQNLVOLBNOIW-NHYWBVRUSA-N -1 1 382.428 1.911 20 0 GDADMM Cc1occc1C(=O)N1CCC[C@H](C)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571206208 953048286 /nfs/dbraw/zinc/04/82/86/953048286.db2.gz NAMQNLVOLBNOIW-NHYWBVRUSA-N -1 1 382.428 1.911 20 0 GDADMM O=C(N[C@@]12CCC[C@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2)c1cccs1 ZINC001571210338 953071671 /nfs/dbraw/zinc/07/16/71/953071671.db2.gz PFTGZLMSZRDQKZ-SJKOYZFVSA-N -1 1 382.453 1.650 20 0 GDADMM Cc1csc(C(=O)N2C[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]3C2)c1 ZINC001571210545 953072081 /nfs/dbraw/zinc/07/20/81/953072081.db2.gz RXZCYFCBNMQWND-TXEJJXNPSA-N -1 1 382.453 1.235 20 0 GDADMM Cc1csc(C(=O)N2C[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]3C2)c1 ZINC001571210545 953072085 /nfs/dbraw/zinc/07/20/85/953072085.db2.gz RXZCYFCBNMQWND-TXEJJXNPSA-N -1 1 382.453 1.235 20 0 GDADMM CC(C)(C(=O)N1CCC[C@H]2[C@H]1CCN2c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001571211513 953077405 /nfs/dbraw/zinc/07/74/05/953077405.db2.gz AGLJRJYDWOCZLT-LSDHHAIUSA-N -1 1 382.472 1.663 20 0 GDADMM CC(C)(C(=O)N1CCC[C@H]2[C@H]1CCN2c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001571211513 953077411 /nfs/dbraw/zinc/07/74/11/953077411.db2.gz AGLJRJYDWOCZLT-LSDHHAIUSA-N -1 1 382.472 1.663 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)C(C2CC2)C2CC2)C1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571211722 953080547 /nfs/dbraw/zinc/08/05/47/953080547.db2.gz DFUUJPGAGIZLJY-LBPRGKRZSA-N -1 1 382.472 1.378 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)C(C2CC2)C2CC2)C1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571211722 953080550 /nfs/dbraw/zinc/08/05/50/953080550.db2.gz DFUUJPGAGIZLJY-LBPRGKRZSA-N -1 1 382.472 1.378 20 0 GDADMM CC1(C(=O)N2CC[C@@]3(C2)CCCN(c2ccnc(-c4nn[n-]n4)n2)C3)CCC1 ZINC001571211792 953081146 /nfs/dbraw/zinc/08/11/46/953081146.db2.gz GSJGSEUYWKVBBT-IBGZPJMESA-N -1 1 382.472 1.666 20 0 GDADMM CCc1nc(N[C@@H]2CCCN(C(=O)C3CC4(CC4)C3)C2)cc(-c2nnn[n-]2)n1 ZINC001571211797 953081402 /nfs/dbraw/zinc/08/14/02/953081402.db2.gz GTLNOFHNIYTJMZ-CYBMUJFWSA-N -1 1 382.472 1.812 20 0 GDADMM CCc1nc(N[C@@H]2CCCN(C(=O)C3CC4(CC4)C3)C2)cc(-c2nn[n-]n2)n1 ZINC001571211797 953081407 /nfs/dbraw/zinc/08/14/07/953081407.db2.gz GTLNOFHNIYTJMZ-CYBMUJFWSA-N -1 1 382.472 1.812 20 0 GDADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC001571212034 953082496 /nfs/dbraw/zinc/08/24/96/953082496.db2.gz HOORRFBIUUGUDH-TUKIKUTGSA-N -1 1 382.472 1.164 20 0 GDADMM CC1(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2nccnc2-c2nnn[n-]2)CCCC1 ZINC001571212517 953089457 /nfs/dbraw/zinc/08/94/57/953089457.db2.gz MUURDXCYGSPMRS-OKILXGFUSA-N -1 1 382.472 1.807 20 0 GDADMM CC1(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2nccnc2-c2nn[n-]n2)CCCC1 ZINC001571212517 953089461 /nfs/dbraw/zinc/08/94/61/953089461.db2.gz MUURDXCYGSPMRS-OKILXGFUSA-N -1 1 382.472 1.807 20 0 GDADMM CN(C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571213227 953093124 /nfs/dbraw/zinc/09/31/24/953093124.db2.gz PWBPLHWHNCWWKP-LJISPDSOSA-N -1 1 382.472 1.520 20 0 GDADMM CN(C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571213227 953093125 /nfs/dbraw/zinc/09/31/25/953093125.db2.gz PWBPLHWHNCWWKP-LJISPDSOSA-N -1 1 382.472 1.520 20 0 GDADMM C[C@]1(CNc2ccc(-c3nnn[n-]3)nn2)CCN(C(=O)C(C2CC2)C2CC2)C1 ZINC001571213692 953097253 /nfs/dbraw/zinc/09/72/53/953097253.db2.gz UKUVWXJCWOEXFH-LJQANCHMSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@]1(CNc2ccc(-c3nn[n-]n3)nn2)CCN(C(=O)C(C2CC2)C2CC2)C1 ZINC001571213692 953097257 /nfs/dbraw/zinc/09/72/57/953097257.db2.gz UKUVWXJCWOEXFH-LJQANCHMSA-N -1 1 382.472 1.743 20 0 GDADMM CC1(C)CC(C(=O)N2CC[C@]3(CCN(c4nccnc4-c4nnn[n-]4)C3)C2)C1 ZINC001571214042 953098193 /nfs/dbraw/zinc/09/81/93/953098193.db2.gz VREFXOZDXHCUPS-IBGZPJMESA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)CC(C(=O)N2CC[C@]3(CCN(c4nccnc4-c4nn[n-]n4)C3)C2)C1 ZINC001571214042 953098195 /nfs/dbraw/zinc/09/81/95/953098195.db2.gz VREFXOZDXHCUPS-IBGZPJMESA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H]1CCN(C(=O)C2CC3(CC3)C2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571214070 953099412 /nfs/dbraw/zinc/09/94/12/953099412.db2.gz WEZGBLHOZGFJEW-OCCSQVGLSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@@H]1CCN(C(=O)C2CC3(CC3)C2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571214070 953099415 /nfs/dbraw/zinc/09/94/15/953099415.db2.gz WEZGBLHOZGFJEW-OCCSQVGLSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@]2(C1)CCCN(c1cncc(-c3nnn[n-]3)n1)C2)C1CC1 ZINC001571214075 953099517 /nfs/dbraw/zinc/09/95/17/953099517.db2.gz WGFHFAQREYMXLC-YJYMSZOUSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@]2(C1)CCCN(c1cncc(-c3nn[n-]n3)n1)C2)C1CC1 ZINC001571214075 953099520 /nfs/dbraw/zinc/09/95/20/953099520.db2.gz WGFHFAQREYMXLC-YJYMSZOUSA-N -1 1 382.472 1.522 20 0 GDADMM O=C([C@@H]1CC2CCC1CC2)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571216896 953104723 /nfs/dbraw/zinc/10/47/23/953104723.db2.gz BRUSIOQFTYPNFZ-SSDMNJCBSA-N -1 1 382.472 1.886 20 0 GDADMM O=C([C@@H]1CC2CCC1CC2)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571216896 953104726 /nfs/dbraw/zinc/10/47/26/953104726.db2.gz BRUSIOQFTYPNFZ-SSDMNJCBSA-N -1 1 382.472 1.886 20 0 GDADMM O=C(NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1)[C@@H]1CCCC2(CC2)C1 ZINC001571217723 953111067 /nfs/dbraw/zinc/11/10/67/953111067.db2.gz JFBMEPCQZPFWHJ-ROKHWSDSSA-N -1 1 382.472 1.934 20 0 GDADMM O=C(NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1)[C@@H]1CCCC2(CC2)C1 ZINC001571217723 953111069 /nfs/dbraw/zinc/11/10/69/953111069.db2.gz JFBMEPCQZPFWHJ-ROKHWSDSSA-N -1 1 382.472 1.934 20 0 GDADMM O=C(N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)[C@@H]1CCCC2(CC2)C1 ZINC001571218430 953114764 /nfs/dbraw/zinc/11/47/64/953114764.db2.gz NLLZJWYSEOUQCJ-KGLIPLIRSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)[C@@H]1CCCC2(CC2)C1 ZINC001571218430 953114766 /nfs/dbraw/zinc/11/47/66/953114766.db2.gz NLLZJWYSEOUQCJ-KGLIPLIRSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C12CCC(CC1)C2 ZINC001571218393 953115268 /nfs/dbraw/zinc/11/52/68/953115268.db2.gz MSAOGVWCFHNGAJ-BIWSTMPVSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C12CCC(CC1)C2 ZINC001571218393 953115272 /nfs/dbraw/zinc/11/52/72/953115272.db2.gz MSAOGVWCFHNGAJ-BIWSTMPVSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(N[C@]12CCC[C@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2)C1CCCCC1 ZINC001571218825 953119423 /nfs/dbraw/zinc/11/94/23/953119423.db2.gz RSKUDOFXKAFJJB-KUHUBIRLSA-N -1 1 382.472 1.855 20 0 GDADMM CC1(C)C[C@@H](NC(=O)c2cnco2)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571222019 953129749 /nfs/dbraw/zinc/12/97/49/953129749.db2.gz ABECKVXSNJFAFC-NSHDSACASA-N -1 1 383.416 1.070 20 0 GDADMM CC1(C)C[C@@H](NC(=O)c2cnco2)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571222019 953129756 /nfs/dbraw/zinc/12/97/56/953129756.db2.gz ABECKVXSNJFAFC-NSHDSACASA-N -1 1 383.416 1.070 20 0 GDADMM CCc1nc(N[C@@H]2CCCN(C(=O)c3ocnc3C)C2)cc(-c2nnn[n-]2)n1 ZINC001571222245 953132382 /nfs/dbraw/zinc/13/23/82/953132382.db2.gz BEBFIKMLIYXYPN-LLVKDONJSA-N -1 1 383.416 1.232 20 0 GDADMM CCc1nc(N[C@@H]2CCCN(C(=O)c3ocnc3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571222245 953132385 /nfs/dbraw/zinc/13/23/85/953132385.db2.gz BEBFIKMLIYXYPN-LLVKDONJSA-N 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CS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)F)cn1 ZINC000431636165 532271550 /nfs/dbraw/zinc/27/15/50/532271550.db2.gz UPECGAQVTRYOOQ-CYBMUJFWSA-N -1 1 376.406 1.770 20 0 GDADMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)cc1 ZINC000431184874 532261794 /nfs/dbraw/zinc/26/17/94/532261794.db2.gz VSIVQAMEMKLGEM-UHFFFAOYSA-N -1 1 380.369 1.813 20 0 GDADMM O=C([O-])CN1CCCN(S(=O)(=O)Cc2ccccc2C(F)(F)F)CC1 ZINC000275230271 532279010 /nfs/dbraw/zinc/27/90/10/532279010.db2.gz FMSPYOGSWHNDEP-UHFFFAOYSA-N -1 1 380.388 1.628 20 0 GDADMM C[C@@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCO1)C(C)(F)F ZINC000349455982 532289565 /nfs/dbraw/zinc/28/95/65/532289565.db2.gz RNDPSAJZDRIXAS-SNVBAGLBSA-N -1 1 384.426 1.335 20 0 GDADMM Cc1nc([C@@](C)([N-]S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)C2CC2)no1 ZINC000432260770 532281775 /nfs/dbraw/zinc/28/17/75/532281775.db2.gz WFEKTSBDMHBLRL-HNNXBMFYSA-N -1 1 384.845 1.734 20 0 GDADMM COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@]2(C)CCO[C@@H]2C2CC2)c1F ZINC000378654505 532294110 /nfs/dbraw/zinc/29/41/10/532294110.db2.gz VYQXENONYDEDBV-GDBMZVCRSA-N -1 1 375.393 1.987 20 0 GDADMM COC[C@H](CCO)[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000276287111 532325871 /nfs/dbraw/zinc/32/58/71/532325871.db2.gz XUHZWOULQZUBCV-ZETCQYMHSA-N -1 1 390.658 1.917 20 0 GDADMM COC(=O)[C@@H]([N-]S(=O)(=O)/C=C/c1ccc(Br)cc1)[C@H](C)O ZINC000275840600 532312068 /nfs/dbraw/zinc/31/20/68/532312068.db2.gz VQYRSEWRCZNNBX-IOTVWZNQSA-N -1 1 378.244 1.262 20 0 GDADMM O=C(CN1CCC[C@@H](c2nc(=O)[n-][nH]2)C1)Nc1ccc(Br)cc1F ZINC000289546350 532327283 /nfs/dbraw/zinc/32/72/83/532327283.db2.gz WYINBHDNQKJYCQ-SECBINFHSA-N -1 1 398.236 1.818 20 0 GDADMM O=C(CNC(=O)C1CC1)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000737890456 598847756 /nfs/dbraw/zinc/84/77/56/598847756.db2.gz ZYJGOIQSHIDAPQ-UHFFFAOYSA-N -1 1 382.449 1.738 20 0 GDADMM CN(CCc1ccccn1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736805993 598873159 /nfs/dbraw/zinc/87/31/59/598873159.db2.gz LGMZXIVTSZEKJC-UHFFFAOYSA-N -1 1 378.845 1.778 20 0 GDADMM CN(CCc1ccccn1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736805993 598873160 /nfs/dbraw/zinc/87/31/60/598873160.db2.gz LGMZXIVTSZEKJC-UHFFFAOYSA-N -1 1 378.845 1.778 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC[C@@H](C)Oc2ccccc2)cc1-c1nn[n-]n1 ZINC000737186996 598878737 /nfs/dbraw/zinc/87/87/37/598878737.db2.gz NITYWBZAOZPYBO-SNVBAGLBSA-N -1 1 386.437 1.887 20 0 GDADMM Cc1nn(C)c2ncc([N-]S(=O)(=O)c3cc(-c4nn[nH]n4)ccc3C)cc12 ZINC000737301431 598930374 /nfs/dbraw/zinc/93/03/74/598930374.db2.gz MYDGVMNMDPNTBK-UHFFFAOYSA-N -1 1 384.425 1.566 20 0 GDADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc(CNC(N)=O)cc1 ZINC000737300973 598931766 /nfs/dbraw/zinc/93/17/66/598931766.db2.gz GLEZLPDEBVIMIX-UHFFFAOYSA-N -1 1 387.425 1.144 20 0 GDADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1cccc(S(C)(=O)=O)c1 ZINC000737226051 598947948 /nfs/dbraw/zinc/94/79/48/598947948.db2.gz ZQEKJOWUHDYQDC-UHFFFAOYSA-N -1 1 393.450 1.379 20 0 GDADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc2c(c1)oc(=O)n2C ZINC000737225750 598949570 /nfs/dbraw/zinc/94/95/70/598949570.db2.gz QWNCNOLLNSWYLD-UHFFFAOYSA-N -1 1 386.393 1.421 20 0 GDADMM COc1cccc([C@@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)c2nccn2C)c1 ZINC000737130856 598985543 /nfs/dbraw/zinc/98/55/43/598985543.db2.gz ZFEPYGLCCQVRHD-MRXNPFEDSA-N -1 1 390.407 1.523 20 0 GDADMM COc1cccc([C@@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)c2nccn2C)c1 ZINC000737130856 598985546 /nfs/dbraw/zinc/98/55/46/598985546.db2.gz ZFEPYGLCCQVRHD-MRXNPFEDSA-N -1 1 390.407 1.523 20 0 GDADMM C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736198889 598988047 /nfs/dbraw/zinc/98/80/47/598988047.db2.gz LJBNPXRLZFANGM-LLVKDONJSA-N -1 1 386.437 1.498 20 0 GDADMM C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736198889 598988049 /nfs/dbraw/zinc/98/80/49/598988049.db2.gz LJBNPXRLZFANGM-LLVKDONJSA-N -1 1 386.437 1.498 20 0 GDADMM C[C@@H]1COC[C@@H](C)N1CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000736293004 598993017 /nfs/dbraw/zinc/99/30/17/598993017.db2.gz MYRWBKUBUKGRPJ-CHWSQXEVSA-N -1 1 382.428 1.100 20 0 GDADMM C[C@@H]1COC[C@@H](C)N1CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736293004 598993018 /nfs/dbraw/zinc/99/30/18/598993018.db2.gz MYRWBKUBUKGRPJ-CHWSQXEVSA-N -1 1 382.428 1.100 20 0 GDADMM CCc1noc(-c2ccc(CCNC(=O)c3ccc(-c4nnn[n-]4)nc3)cc2)n1 ZINC000736711311 599001416 /nfs/dbraw/zinc/00/14/16/599001416.db2.gz VJYSBEJMTAHUBP-UHFFFAOYSA-N -1 1 390.407 1.847 20 0 GDADMM CCc1noc(-c2ccc(CCNC(=O)c3ccc(-c4nn[n-]n4)nc3)cc2)n1 ZINC000736711311 599001418 /nfs/dbraw/zinc/00/14/18/599001418.db2.gz VJYSBEJMTAHUBP-UHFFFAOYSA-N -1 1 390.407 1.847 20 0 GDADMM COc1ccccc1[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1noc(C)n1 ZINC000737142864 599007427 /nfs/dbraw/zinc/00/74/27/599007427.db2.gz QJMGQMYRNNQJBE-OAHLLOKOSA-N -1 1 392.379 1.481 20 0 GDADMM COc1ccccc1[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1noc(C)n1 ZINC000737142864 599007429 /nfs/dbraw/zinc/00/74/29/599007429.db2.gz QJMGQMYRNNQJBE-OAHLLOKOSA-N -1 1 392.379 1.481 20 0 GDADMM COc1cc(F)ccc1N1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000737054849 599008941 /nfs/dbraw/zinc/00/89/41/599008941.db2.gz YAAVBCXDHGFYEE-UHFFFAOYSA-N -1 1 383.387 1.372 20 0 GDADMM COc1cc(F)ccc1N1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000737054849 599008943 /nfs/dbraw/zinc/00/89/43/599008943.db2.gz YAAVBCXDHGFYEE-UHFFFAOYSA-N -1 1 383.387 1.372 20 0 GDADMM c1cc(CN2CCOCC2)cc(-c2noc(-c3ccc(-c4nn[n-]n4)nc3)n2)c1 ZINC000738409691 599010979 /nfs/dbraw/zinc/01/09/79/599010979.db2.gz DZQWIRQLALUKOZ-UHFFFAOYSA-N -1 1 390.407 1.811 20 0 GDADMM Cc1nn(C)cc1NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000737512867 599037404 /nfs/dbraw/zinc/03/74/04/599037404.db2.gz AXJBBKIUVIKVJY-UHFFFAOYSA-N -1 1 380.416 1.139 20 0 GDADMM Cc1nn(C)cc1NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000737512867 599037407 /nfs/dbraw/zinc/03/74/07/599037407.db2.gz AXJBBKIUVIKVJY-UHFFFAOYSA-N -1 1 380.416 1.139 20 0 GDADMM C[C@@H]1C[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C(=O)N1c1cnn(C)c1 ZINC000820668143 599097945 /nfs/dbraw/zinc/09/79/45/599097945.db2.gz QDOGDYNXUAPVQM-SVRRBLITSA-N -1 1 379.837 1.316 20 0 GDADMM C[C@@H]1C[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C(=O)N1c1cnn(C)c1 ZINC000820668143 599097948 /nfs/dbraw/zinc/09/79/48/599097948.db2.gz QDOGDYNXUAPVQM-SVRRBLITSA-N -1 1 379.837 1.316 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)Nc1ccc(N2CCCC2)cc1 ZINC000737907525 599134750 /nfs/dbraw/zinc/13/47/50/599134750.db2.gz DLLHVQAWNAFPNU-UHFFFAOYSA-N -1 1 393.407 1.657 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)Nc1ccc(N2CCCC2)cc1 ZINC000737907525 599134752 /nfs/dbraw/zinc/13/47/52/599134752.db2.gz DLLHVQAWNAFPNU-UHFFFAOYSA-N -1 1 393.407 1.657 20 0 GDADMM COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)c1C ZINC000736940615 599140693 /nfs/dbraw/zinc/14/06/93/599140693.db2.gz MWNWLVGBTFFVSX-UHFFFAOYSA-N -1 1 384.352 1.033 20 0 GDADMM COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)c1C ZINC000736940615 599140695 /nfs/dbraw/zinc/14/06/95/599140695.db2.gz MWNWLVGBTFFVSX-UHFFFAOYSA-N -1 1 384.352 1.033 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc2c(c1)CCC(=O)N2 ZINC000738303367 599142292 /nfs/dbraw/zinc/14/22/92/599142292.db2.gz QIPKIELKIQEJCE-UHFFFAOYSA-N -1 1 378.348 1.186 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc2c(c1)CCC(=O)N2 ZINC000738303367 599142294 /nfs/dbraw/zinc/14/22/94/599142294.db2.gz QIPKIELKIQEJCE-UHFFFAOYSA-N -1 1 378.348 1.186 20 0 GDADMM CC(C)(C)c1nsc(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)n1 ZINC000735654541 599187102 /nfs/dbraw/zinc/18/71/02/599187102.db2.gz FSPOSXIONARGBK-UHFFFAOYSA-N -1 1 391.465 1.075 20 0 GDADMM CC(C)(C)c1nsc(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)n1 ZINC000735654541 599187103 /nfs/dbraw/zinc/18/71/03/599187103.db2.gz FSPOSXIONARGBK-UHFFFAOYSA-N -1 1 391.465 1.075 20 0 GDADMM C[C@@H](O)C[C@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000820475318 607259581 /nfs/dbraw/zinc/25/95/81/607259581.db2.gz ZYHCZWMOCBLJSQ-TZMCWYRMSA-N -1 1 388.453 1.095 20 0 GDADMM C[C@@H](O)C[C@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000820475318 607259582 /nfs/dbraw/zinc/25/95/82/607259582.db2.gz ZYHCZWMOCBLJSQ-TZMCWYRMSA-N -1 1 388.453 1.095 20 0 GDADMM O=c1cc(CSc2nc(-c3ccccn3)n[nH]2)nc2c(-c3nn[nH]n3)c[n-]n21 ZINC000738398504 599223318 /nfs/dbraw/zinc/22/33/18/599223318.db2.gz WRWXAHMEUSGCCC-UHFFFAOYSA-N -1 1 393.396 1.087 20 0 GDADMM O=C([O-])[C@@H]1CC(C(=O)Nc2cnn(-c3ccncc3)c2)=NN1c1ccccc1 ZINC000740476094 596957486 /nfs/dbraw/zinc/95/74/86/596957486.db2.gz QATAOTGFJBUECF-KRWDZBQOSA-N -1 1 376.376 1.925 20 0 GDADMM CN1CCN(c2ncccc2CNC(=O)N2CCC[C@H](CC(=O)[O-])C2)CC1 ZINC000818482263 597059121 /nfs/dbraw/zinc/05/91/21/597059121.db2.gz NFBBRMRQKUIUBA-OAHLLOKOSA-N -1 1 375.473 1.230 20 0 GDADMM CC(=O)Nc1ccc(S(=O)(=O)CCCN2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000533203325 597085341 /nfs/dbraw/zinc/08/53/41/597085341.db2.gz XVNLCDWKMRENTN-HNNXBMFYSA-N -1 1 382.482 1.996 20 0 GDADMM COCCNC(=O)C1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000737008090 599264794 /nfs/dbraw/zinc/26/47/94/599264794.db2.gz ZONSSAPJWICFJC-UHFFFAOYSA-N -1 1 381.440 1.394 20 0 GDADMM COCCNC(=O)C1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000737008090 599264796 /nfs/dbraw/zinc/26/47/96/599264796.db2.gz ZONSSAPJWICFJC-UHFFFAOYSA-N -1 1 381.440 1.394 20 0 GDADMM CCc1ccccc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821492868 607318400 /nfs/dbraw/zinc/31/84/00/607318400.db2.gz XVXWRBFSPQNQIG-ZDUSSCGKSA-N -1 1 378.440 1.570 20 0 GDADMM CCc1ccccc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821492868 607318401 /nfs/dbraw/zinc/31/84/01/607318401.db2.gz XVXWRBFSPQNQIG-ZDUSSCGKSA-N -1 1 378.440 1.570 20 0 GDADMM COc1ccccc1CCN(C)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737150059 598251996 /nfs/dbraw/zinc/25/19/96/598251996.db2.gz LHUCFEIHLLLQGO-UHFFFAOYSA-N -1 1 391.428 1.878 20 0 GDADMM COc1ccccc1OCCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737152452 598252261 /nfs/dbraw/zinc/25/22/61/598252261.db2.gz OLNKLVCFPPTFDT-UHFFFAOYSA-N -1 1 390.425 1.018 20 0 GDADMM COc1ccccc1OCCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737152452 598252263 /nfs/dbraw/zinc/25/22/63/598252263.db2.gz OLNKLVCFPPTFDT-UHFFFAOYSA-N -1 1 390.425 1.018 20 0 GDADMM O=S(=O)(NCCCSc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738337461 598261371 /nfs/dbraw/zinc/26/13/71/598261371.db2.gz BWWYYECQHJLUCA-UHFFFAOYSA-N -1 1 394.457 1.862 20 0 GDADMM O=S(=O)(NCCCSc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738337461 598261372 /nfs/dbraw/zinc/26/13/72/598261372.db2.gz BWWYYECQHJLUCA-UHFFFAOYSA-N -1 1 394.457 1.862 20 0 GDADMM O=S(=O)(NCc1ccccc1OC(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC000738345918 598262780 /nfs/dbraw/zinc/26/27/80/598262780.db2.gz RPTTZCPYMMWCAT-UHFFFAOYSA-N -1 1 382.352 1.342 20 0 GDADMM O=S(=O)(NCc1ccccc1OC(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC000738345918 598262781 /nfs/dbraw/zinc/26/27/81/598262781.db2.gz RPTTZCPYMMWCAT-UHFFFAOYSA-N -1 1 382.352 1.342 20 0 GDADMM CC(C)Oc1ccc(CCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735915614 598263526 /nfs/dbraw/zinc/26/35/26/598263526.db2.gz QVTDTJJUPLXVBA-UHFFFAOYSA-N -1 1 388.453 1.570 20 0 GDADMM CC(C)Oc1ccc(CCNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735915614 598263528 /nfs/dbraw/zinc/26/35/28/598263528.db2.gz QVTDTJJUPLXVBA-UHFFFAOYSA-N -1 1 388.453 1.570 20 0 GDADMM CN(CCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1F ZINC000736799461 598268765 /nfs/dbraw/zinc/26/87/65/598268765.db2.gz FFDIUNMGKCSXCS-UHFFFAOYSA-N -1 1 391.432 1.206 20 0 GDADMM CN(CCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1F ZINC000736799461 598268766 /nfs/dbraw/zinc/26/87/66/598268766.db2.gz FFDIUNMGKCSXCS-UHFFFAOYSA-N -1 1 391.432 1.206 20 0 GDADMM CC(C)n1ccc(=O)nc1SCc1cc(=O)n2ncc(-c3nn[n-]n3)c2[nH]1 ZINC000735961875 598295301 /nfs/dbraw/zinc/29/53/01/598295301.db2.gz VLJKSVUEFRAGLY-UHFFFAOYSA-N -1 1 385.413 1.045 20 0 GDADMM CCOCc1cccc(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000736627370 598360501 /nfs/dbraw/zinc/36/05/01/598360501.db2.gz UMXGEBGMPMWVSB-UHFFFAOYSA-N -1 1 385.432 1.463 20 0 GDADMM CCOCc1cccc(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000736627370 598360503 /nfs/dbraw/zinc/36/05/03/598360503.db2.gz UMXGEBGMPMWVSB-UHFFFAOYSA-N -1 1 385.432 1.463 20 0 GDADMM COc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(-c3nn[nH]n3)cc2)c(F)c1 ZINC000737053308 598369894 /nfs/dbraw/zinc/36/98/94/598369894.db2.gz ISQQBULAVRKFGW-UHFFFAOYSA-N -1 1 381.364 1.632 20 0 GDADMM Cc1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737198189 598397503 /nfs/dbraw/zinc/39/75/03/598397503.db2.gz HLJSJIYFCIFFOT-UHFFFAOYSA-N -1 1 383.437 1.572 20 0 GDADMM Cc1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737198189 598397505 /nfs/dbraw/zinc/39/75/05/598397505.db2.gz HLJSJIYFCIFFOT-UHFFFAOYSA-N -1 1 383.437 1.572 20 0 GDADMM Cc1nc2n(n1)C[C@H](NC(=O)c1c(C)oc(-n3cccc3)c1-c1nnn[n-]1)CC2 ZINC000737490851 598419293 /nfs/dbraw/zinc/41/92/93/598419293.db2.gz YDPOODNPLGPKLC-GFCCVEGCSA-N -1 1 393.411 1.204 20 0 GDADMM Cc1nc2n(n1)C[C@H](NC(=O)c1c(C)oc(-n3cccc3)c1-c1nn[n-]n1)CC2 ZINC000737490851 598419294 /nfs/dbraw/zinc/41/92/94/598419294.db2.gz YDPOODNPLGPKLC-GFCCVEGCSA-N -1 1 393.411 1.204 20 0 GDADMM C[C@H]1Oc2ccc([N-]S(=O)(=O)c3cccc(-c4nn[nH]n4)c3)cc2NC1=O ZINC000736301199 598514601 /nfs/dbraw/zinc/51/46/01/598514601.db2.gz MNADZNFTXAFDTG-SECBINFHSA-N -1 1 386.393 1.387 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCc2cn3c(cccc3C)n2)cc1-c1nn[n-]n1 ZINC000737187318 598614227 /nfs/dbraw/zinc/61/42/27/598614227.db2.gz QDFOMUWTLIKPIA-UHFFFAOYSA-N -1 1 396.436 1.575 20 0 GDADMM CCc1nn(CC(=O)NCc2ccc(F)cc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705440 598641547 /nfs/dbraw/zinc/64/15/47/598641547.db2.gz INDGZLKECVVZNC-UHFFFAOYSA-N -1 1 385.403 1.004 20 0 GDADMM CCc1nn(Cc2cnc3c(cnn3C(C)C)c2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736707800 598642460 /nfs/dbraw/zinc/64/24/60/598642460.db2.gz UEBYHSIPHTWKFL-UHFFFAOYSA-N -1 1 393.455 1.922 20 0 GDADMM CC[C@H]1CN(C(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)C[C@H](C)O1 ZINC000736411212 598696295 /nfs/dbraw/zinc/69/62/95/598696295.db2.gz PJRBKVMITSRWPK-FZMZJTMJSA-N -1 1 398.471 1.485 20 0 GDADMM CC[C@H]1CN(C(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)C[C@H](C)O1 ZINC000736411212 598696296 /nfs/dbraw/zinc/69/62/96/598696296.db2.gz PJRBKVMITSRWPK-FZMZJTMJSA-N -1 1 398.471 1.485 20 0 GDADMM C[C@@H]1CN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)CCO1 ZINC000736281122 598720839 /nfs/dbraw/zinc/72/08/39/598720839.db2.gz RDEHXBREQRQTBO-SNVBAGLBSA-N -1 1 388.815 1.082 20 0 GDADMM O[C@@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)COc1ccc2c(c1)OCO2 ZINC000738380766 598746743 /nfs/dbraw/zinc/74/67/43/598746743.db2.gz CRRZLVXFKIIMIN-VIFPVBQESA-N -1 1 390.787 1.496 20 0 GDADMM O[C@@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)COc1ccc2c(c1)OCO2 ZINC000738380766 598746745 /nfs/dbraw/zinc/74/67/45/598746745.db2.gz CRRZLVXFKIIMIN-VIFPVBQESA-N -1 1 390.787 1.496 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)NCc2nncn2C(C)C)c1-c1nn[n-]n1 ZINC000737190711 598767584 /nfs/dbraw/zinc/76/75/84/598767584.db2.gz ZWMBHGOIGLYJAP-UHFFFAOYSA-N -1 1 399.484 1.963 20 0 GDADMM CC(C)(C)c1cnc(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)s1 ZINC000819965983 599296242 /nfs/dbraw/zinc/29/62/42/599296242.db2.gz RDCVYPZKMCOPAL-UHFFFAOYSA-N -1 1 390.477 1.680 20 0 GDADMM CC(C)(C)c1cnc(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)s1 ZINC000819965983 599296244 /nfs/dbraw/zinc/29/62/44/599296244.db2.gz RDCVYPZKMCOPAL-UHFFFAOYSA-N -1 1 390.477 1.680 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCO[C@H](c2ccccc2)C1 ZINC000823606478 599337062 /nfs/dbraw/zinc/33/70/62/599337062.db2.gz ILWFLHDQPPZJKW-AWEZNQCLSA-N -1 1 389.412 1.768 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCO[C@H](c2ccccc2)C1 ZINC000823606478 599337065 /nfs/dbraw/zinc/33/70/65/599337065.db2.gz ILWFLHDQPPZJKW-AWEZNQCLSA-N -1 1 389.412 1.768 20 0 GDADMM COc1ccc([C@H](C)CCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000821778061 599352247 /nfs/dbraw/zinc/35/22/47/599352247.db2.gz SQMZNKVCLRJNAB-GFCCVEGCSA-N -1 1 388.453 1.742 20 0 GDADMM COc1ccc([C@H](C)CCNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000821778061 599352250 /nfs/dbraw/zinc/35/22/50/599352250.db2.gz SQMZNKVCLRJNAB-GFCCVEGCSA-N -1 1 388.453 1.742 20 0 GDADMM O=C1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c2ccccc2N1 ZINC000738303904 599364581 /nfs/dbraw/zinc/36/45/81/599364581.db2.gz JCRUBAOZZSODCY-UHFFFAOYSA-N -1 1 388.384 1.543 20 0 GDADMM CCc1nn(CCc2nc3ccccc3n2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706460 599369508 /nfs/dbraw/zinc/36/95/08/599369508.db2.gz LUAUZJSGJHAJPC-UHFFFAOYSA-N -1 1 378.440 1.678 20 0 GDADMM Cc1cccc(S(=O)(=O)N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)c1 ZINC000737411881 599399309 /nfs/dbraw/zinc/39/93/09/599399309.db2.gz QXZUGOQCYWJZKB-UHFFFAOYSA-N -1 1 385.453 1.081 20 0 GDADMM Cc1cccc(S(=O)(=O)N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)c1 ZINC000737411881 599399312 /nfs/dbraw/zinc/39/93/12/599399312.db2.gz QXZUGOQCYWJZKB-UHFFFAOYSA-N -1 1 385.453 1.081 20 0 GDADMM O=S(=O)(c1ccccc1)N1CCCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000738356932 599418029 /nfs/dbraw/zinc/41/80/29/599418029.db2.gz MHVOXBAESUOOGJ-UHFFFAOYSA-N -1 1 385.453 1.163 20 0 GDADMM O=S(=O)(c1ccccc1)N1CCCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000738356932 599418030 /nfs/dbraw/zinc/41/80/30/599418030.db2.gz MHVOXBAESUOOGJ-UHFFFAOYSA-N -1 1 385.453 1.163 20 0 GDADMM O=S(=O)(c1ccccc1)N1CCC(CNc2cccc(-c3nnn[n-]3)n2)CC1 ZINC000738352976 599420808 /nfs/dbraw/zinc/42/08/08/599420808.db2.gz AKTSQMXFTLUTHR-UHFFFAOYSA-N -1 1 399.480 1.775 20 0 GDADMM O=S(=O)(c1ccccc1)N1CCC(CNc2cccc(-c3nn[n-]n3)n2)CC1 ZINC000738352976 599420809 /nfs/dbraw/zinc/42/08/09/599420809.db2.gz AKTSQMXFTLUTHR-UHFFFAOYSA-N -1 1 399.480 1.775 20 0 GDADMM C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)C1 ZINC000736260112 599433998 /nfs/dbraw/zinc/43/39/98/599433998.db2.gz LAOGAUHXTSBPIP-HUUCEWRRSA-N -1 1 384.488 1.079 20 0 GDADMM O=C(c1cccc(O)c1)N1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000823492972 599517196 /nfs/dbraw/zinc/51/71/96/599517196.db2.gz BMJGOPVJTJAKKV-UHFFFAOYSA-N -1 1 385.815 1.583 20 0 GDADMM O=C(c1cccc(O)c1)N1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000823492972 599517197 /nfs/dbraw/zinc/51/71/97/599517197.db2.gz BMJGOPVJTJAKKV-UHFFFAOYSA-N -1 1 385.815 1.583 20 0 GDADMM Cc1nc(CN2CCCN(c3snc(Cl)c3-c3nnn[n-]3)CC2)no1 ZINC000822440226 599538010 /nfs/dbraw/zinc/53/80/10/599538010.db2.gz KDMHELITVYUNIR-UHFFFAOYSA-N -1 1 381.853 1.380 20 0 GDADMM Cc1nc(CN2CCCN(c3snc(Cl)c3-c3nn[n-]n3)CC2)no1 ZINC000822440226 599538011 /nfs/dbraw/zinc/53/80/11/599538011.db2.gz KDMHELITVYUNIR-UHFFFAOYSA-N -1 1 381.853 1.380 20 0 GDADMM CNC(=O)CC1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000821633082 599694879 /nfs/dbraw/zinc/69/48/79/599694879.db2.gz XNXAWOBOLXDNMI-UHFFFAOYSA-N -1 1 398.876 1.057 20 0 GDADMM CN1CCN(c2ccc(Br)cc2NC(=O)CCNC(=O)[O-])CC1 ZINC000737528517 599711683 /nfs/dbraw/zinc/71/16/83/599711683.db2.gz GEQGYOJSUWAZQM-UHFFFAOYSA-N -1 1 385.262 1.797 20 0 GDADMM COC(=O)C[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821659240 607390799 /nfs/dbraw/zinc/39/07/99/607390799.db2.gz WSOPAPOUKWOIFD-SNVBAGLBSA-N -1 1 385.833 1.236 20 0 GDADMM CN(Cc1cc(=O)n(C)c(=O)n1C)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000737454261 599771816 /nfs/dbraw/zinc/77/18/16/599771816.db2.gz HLOGRTPCGUNEPD-CQSZACIVSA-N -1 1 386.235 1.649 20 0 GDADMM O=C([O-])c1cccc(NC(=O)NCCCCN2CCN(c3ncccn3)CC2)c1 ZINC000739415563 599803848 /nfs/dbraw/zinc/80/38/48/599803848.db2.gz KWDHYVHOIQUZDJ-UHFFFAOYSA-N -1 1 398.467 1.899 20 0 GDADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000428078133 599810038 /nfs/dbraw/zinc/81/00/38/599810038.db2.gz MGGXTGLPZQTUFG-HNNXBMFYSA-N -1 1 393.403 1.302 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)Nc1cccc(C(N)=O)n1 ZINC000822540803 607395828 /nfs/dbraw/zinc/39/58/28/607395828.db2.gz GZCLHGHVGBQGOH-UHFFFAOYSA-N -1 1 378.352 1.305 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Nc1cccc(C(N)=O)n1 ZINC000822540803 607395830 /nfs/dbraw/zinc/39/58/30/607395830.db2.gz GZCLHGHVGBQGOH-UHFFFAOYSA-N -1 1 378.352 1.305 20 0 GDADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)O[C@@H](C(=O)[O-])c1ccccc1 ZINC000738228873 599860982 /nfs/dbraw/zinc/86/09/82/599860982.db2.gz DLGBGSYVOWCGJF-OAHLLOKOSA-N -1 1 380.360 1.859 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)CCCNC(=O)c2cccnc2)n1 ZINC000819971518 607403300 /nfs/dbraw/zinc/40/33/00/607403300.db2.gz NMGMHOTXKJHMDQ-UHFFFAOYSA-N -1 1 397.443 1.362 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)CCCNC(=O)c2cccnc2)n1 ZINC000819971518 607403302 /nfs/dbraw/zinc/40/33/02/607403302.db2.gz NMGMHOTXKJHMDQ-UHFFFAOYSA-N -1 1 397.443 1.362 20 0 GDADMM COc1c(C)cnc(CN2CCC(N(C)C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)c1C ZINC000737840459 599923739 /nfs/dbraw/zinc/92/37/39/599923739.db2.gz UPOIIICSIDAEIO-HZPDHXFCSA-N -1 1 375.469 1.851 20 0 GDADMM CC[C@H]1CN(CCn2cccn2)CCN1CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000736945985 599968449 /nfs/dbraw/zinc/96/84/49/599968449.db2.gz ZYHANNSBOLMAKF-SFHVURJKSA-N -1 1 385.468 1.616 20 0 GDADMM COC[C@H](OC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C)C1CC1 ZINC000826151978 607412528 /nfs/dbraw/zinc/41/25/28/607412528.db2.gz NHUPXIVTUFOZGP-HNNXBMFYSA-N -1 1 385.428 1.427 20 0 GDADMM COC[C@H](OC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C)C1CC1 ZINC000826151978 607412529 /nfs/dbraw/zinc/41/25/29/607412529.db2.gz NHUPXIVTUFOZGP-HNNXBMFYSA-N -1 1 385.428 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CCOC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825499687 607576471 /nfs/dbraw/zinc/57/64/71/607576471.db2.gz RHTVEVJPPWNNIT-NSHDSACASA-N -1 1 399.860 1.626 20 0 GDADMM CCOC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825499687 607576473 /nfs/dbraw/zinc/57/64/73/607576473.db2.gz RHTVEVJPPWNNIT-NSHDSACASA-N -1 1 399.860 1.626 20 0 GDADMM COc1ccnc(N2CCN(C(=O)N[C@H](C)[C@H]3CCCN(C(=O)[O-])C3)CC2)c1 ZINC000739986586 602628921 /nfs/dbraw/zinc/62/89/21/602628921.db2.gz WOFXWFGPDKSTGQ-CABCVRRESA-N -1 1 391.472 1.700 20 0 GDADMM O=C([O-])NC[C@H](NC(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1)C1CCCCC1 ZINC000740614931 602639941 /nfs/dbraw/zinc/63/99/41/602639941.db2.gz VHBNFSAYZWUQQJ-ULQDDVLXSA-N -1 1 382.505 1.444 20 0 GDADMM O=S(=O)(NC[C@H]1COc2ccccc2C1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826491250 607580752 /nfs/dbraw/zinc/58/07/52/607580752.db2.gz ZNEDOHKPNVIHSS-NSHDSACASA-N -1 1 389.412 1.535 20 0 GDADMM O=S(=O)(Oc1ccc2c(c1)OCCO2)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826493342 607580830 /nfs/dbraw/zinc/58/08/30/607580830.db2.gz GKIVLVRIXCXDGB-UHFFFAOYSA-N -1 1 378.341 1.545 20 0 GDADMM O=S(=O)(Oc1ccc2c(c1)OCCO2)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826493342 607580831 /nfs/dbraw/zinc/58/08/31/607580831.db2.gz GKIVLVRIXCXDGB-UHFFFAOYSA-N -1 1 378.341 1.545 20 0 GDADMM CC(C)[C@H](CNC(=O)N1CCC([C@@H](C)NC(=O)[O-])CC1)N1CCN(C)CC1 ZINC000738784158 602695922 /nfs/dbraw/zinc/69/59/22/602695922.db2.gz KCHJGHDUXMIHIR-WBVHZDCISA-N -1 1 383.537 1.336 20 0 GDADMM COC(=O)C1(NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCCCC1 ZINC000826124110 607581762 /nfs/dbraw/zinc/58/17/62/607581762.db2.gz OYNCDFIURQKEDF-UHFFFAOYSA-N -1 1 399.860 1.674 20 0 GDADMM COC(=O)C1(NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCCCC1 ZINC000826124110 607581763 /nfs/dbraw/zinc/58/17/63/607581763.db2.gz OYNCDFIURQKEDF-UHFFFAOYSA-N -1 1 399.860 1.674 20 0 GDADMM O=C1CCCCCN1CCCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826479795 607582590 /nfs/dbraw/zinc/58/25/90/607582590.db2.gz ISGPKJQQYKQWTB-UHFFFAOYSA-N -1 1 396.448 1.077 20 0 GDADMM O=C1CCCCCN1CCCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826479795 607582591 /nfs/dbraw/zinc/58/25/91/607582591.db2.gz ISGPKJQQYKQWTB-UHFFFAOYSA-N -1 1 396.448 1.077 20 0 GDADMM CNC(=O)c1cccc(OS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000826073152 607585343 /nfs/dbraw/zinc/58/53/43/607585343.db2.gz HADZZIKCNSHIIR-UHFFFAOYSA-N -1 1 393.812 1.647 20 0 GDADMM CNC(=O)c1cccc(OS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000826073152 607585344 /nfs/dbraw/zinc/58/53/44/607585344.db2.gz HADZZIKCNSHIIR-UHFFFAOYSA-N -1 1 393.812 1.647 20 0 GDADMM O=S(=O)(N[C@@H]1COc2ccccc2C1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826489038 607587733 /nfs/dbraw/zinc/58/77/33/607587733.db2.gz GIPREGCDXHCWRS-LBPRGKRZSA-N -1 1 375.385 1.288 20 0 GDADMM C[C@@H]1CN(C(=O)NC2CCN(Cc3ccncc3)CC2)CC[C@@H]1NC(=O)[O-] ZINC000739133566 602818468 /nfs/dbraw/zinc/81/84/68/602818468.db2.gz KWHUABAAYXWAHD-PBHICJAKSA-N -1 1 375.473 1.734 20 0 GDADMM COc1ccc([C@@H](CNC(=O)[C@@H]2COCCN2C(=O)[O-])N2CCCCC2)cc1 ZINC000739897517 602826787 /nfs/dbraw/zinc/82/67/87/602826787.db2.gz WYPLONFKENOLKJ-MSOLQXFVSA-N -1 1 391.468 1.717 20 0 GDADMM O=C([O-])N1CCCC[C@H](NC(=O)NC2CCN(Cc3ccncc3)CC2)C1 ZINC000740396611 602889674 /nfs/dbraw/zinc/88/96/74/602889674.db2.gz BEOFLSUTTLBRFR-KRWDZBQOSA-N -1 1 375.473 1.878 20 0 GDADMM CCOC(=O)CN(C(C)C)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825512246 607593853 /nfs/dbraw/zinc/59/38/53/607593853.db2.gz ZMPBKQGYQNAWPQ-UHFFFAOYSA-N -1 1 387.849 1.482 20 0 GDADMM CCOC(=O)CN(C(C)C)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825512246 607593855 /nfs/dbraw/zinc/59/38/55/607593855.db2.gz ZMPBKQGYQNAWPQ-UHFFFAOYSA-N -1 1 387.849 1.482 20 0 GDADMM Cn1cc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)cn1 ZINC000826361976 607596387 /nfs/dbraw/zinc/59/63/87/607596387.db2.gz YGXXWMJLNCTLFT-UHFFFAOYSA-N -1 1 387.347 1.098 20 0 GDADMM O=C([O-])N1CCC(n2cccc2C(=O)N2CC[C@H](CN3CCOCC3)C2)CC1 ZINC000740508880 602971244 /nfs/dbraw/zinc/97/12/44/602971244.db2.gz FSJUPULRBSEKIO-MRXNPFEDSA-N -1 1 390.484 1.597 20 0 GDADMM CC(C)CCN1Cc2cccc(NC(=O)CN3CCN(C(=O)[O-])CC3=O)c2C1 ZINC000738817592 603001156 /nfs/dbraw/zinc/00/11/56/603001156.db2.gz CEJBLJSOQMCXQM-UHFFFAOYSA-N -1 1 388.468 1.809 20 0 GDADMM O=S(=O)(NCCn1cnc2ccccc21)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826491596 607600133 /nfs/dbraw/zinc/60/01/33/607600133.db2.gz RBNWPDIJFDAKOE-UHFFFAOYSA-N -1 1 387.400 1.334 20 0 GDADMM O=C([O-])NC1(CNC(=O)C(=O)Nc2ccn(-c3ccncc3)n2)CCCCC1 ZINC000740544610 603045681 /nfs/dbraw/zinc/04/56/81/603045681.db2.gz GIEAMSOEXVAQDP-UHFFFAOYSA-N -1 1 386.412 1.293 20 0 GDADMM CC[C@@H]1CN(C(=O)c2cccn2C2CCN(C(=O)[O-])CC2)CCN1C[C@@H](C)O ZINC000826691715 603059490 /nfs/dbraw/zinc/05/94/90/603059490.db2.gz VNRCBIOBTODHEO-HZPDHXFCSA-N -1 1 392.500 1.720 20 0 GDADMM C[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)C(=O)N1CCCC[C@@H]1C ZINC000824640977 607604380 /nfs/dbraw/zinc/60/43/80/607604380.db2.gz QKEMVYIZVSALJL-QWRGUYRKSA-N -1 1 396.448 1.074 20 0 GDADMM CCN1CCN(c2ccc(CNC(=O)N[C@H](CNC(=O)[O-])C3CC3)cn2)CC1 ZINC000739458820 603077793 /nfs/dbraw/zinc/07/77/93/603077793.db2.gz XJTYLBVPTIRTOW-MRXNPFEDSA-N -1 1 390.488 1.069 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCC[C@H](C2OCCO2)C1 ZINC000826494707 607606185 /nfs/dbraw/zinc/60/61/85/607606185.db2.gz MLBFGCYISQOMRY-JTQLQIEISA-N -1 1 399.860 1.294 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H](O)c1ccc(Br)cc1 ZINC000826467230 607607603 /nfs/dbraw/zinc/60/76/03/607607603.db2.gz MPADTVVXXGGVCS-ZDUSSCGKSA-N -1 1 390.197 1.801 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H](O)c1ccc(Br)cc1 ZINC000826467230 607607604 /nfs/dbraw/zinc/60/76/04/607607604.db2.gz MPADTVVXXGGVCS-ZDUSSCGKSA-N -1 1 390.197 1.801 20 0 GDADMM CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000824338177 607609740 /nfs/dbraw/zinc/60/97/40/607609740.db2.gz ROZRROMMBQNDLP-ZDUSSCGKSA-N -1 1 375.433 1.427 20 0 GDADMM CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000824338177 607609741 /nfs/dbraw/zinc/60/97/41/607609741.db2.gz ROZRROMMBQNDLP-ZDUSSCGKSA-N -1 1 375.433 1.427 20 0 GDADMM O=S(=O)(NC[C@@H]1OCCc2ccccc21)c1cccc(F)c1-c1nnn[n-]1 ZINC000826490776 607615918 /nfs/dbraw/zinc/61/59/18/607615918.db2.gz HHBBVFZUWOAKQG-AWEZNQCLSA-N -1 1 389.412 1.598 20 0 GDADMM O=S(=O)(NC[C@@H]1OCCc2ccccc21)c1cccc(F)c1-c1nn[n-]n1 ZINC000826490776 607615921 /nfs/dbraw/zinc/61/59/21/607615921.db2.gz HHBBVFZUWOAKQG-AWEZNQCLSA-N -1 1 389.412 1.598 20 0 GDADMM O=C([O-])N1CCC[C@@H](NC(=O)NCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000739420069 603252783 /nfs/dbraw/zinc/25/27/83/603252783.db2.gz NGRCHERDSFGMPX-GOSISDBHSA-N -1 1 389.500 1.246 20 0 GDADMM O=S(=O)(Oc1cccc(-n2ccnc2)c1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826493564 607620963 /nfs/dbraw/zinc/62/09/63/607620963.db2.gz QWGVXDYMIGKFJX-UHFFFAOYSA-N -1 1 386.368 1.959 20 0 GDADMM O=C([O-])NC[C@@H](C(=O)N1CCC(CN2CCOCC2)CC1)c1ccccc1 ZINC000832402640 603342047 /nfs/dbraw/zinc/34/20/47/603342047.db2.gz KEBMDGGKWIWICT-GOSISDBHSA-N -1 1 375.469 1.609 20 0 GDADMM CN1CCN(c2ccccc2NC(=O)N[C@H]2CCC[C@@H]2CNC(=O)[O-])CC1 ZINC000739736360 603369492 /nfs/dbraw/zinc/36/94/92/603369492.db2.gz KXDJDTHBSUIWLC-CABCVRRESA-N -1 1 375.473 1.996 20 0 GDADMM COc1ccc([C@@H](O)CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000826188648 607625871 /nfs/dbraw/zinc/62/58/71/607625871.db2.gz CEKNRXOJDCSQAL-AWEZNQCLSA-N -1 1 393.400 1.026 20 0 GDADMM C[C@@H](CNC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-])N1CCc2ccccc2C1 ZINC000738919526 603392638 /nfs/dbraw/zinc/39/26/38/603392638.db2.gz YEBTUFWJLJTTHE-YJBOKZPZSA-N -1 1 375.469 1.708 20 0 GDADMM Cc1ccccc1CN1CCN(C(=O)CN2CC[C@H](NC(=O)[O-])[C@H](C)C2)CC1 ZINC000740182156 603413010 /nfs/dbraw/zinc/41/30/10/603413010.db2.gz ASFCDRXYDAGZDN-MJGOQNOKSA-N -1 1 388.512 1.617 20 0 GDADMM COc1ccc(CN(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1O ZINC000826193132 607627943 /nfs/dbraw/zinc/62/79/43/607627943.db2.gz QVXIGFIAICBHLS-UHFFFAOYSA-N -1 1 393.400 1.541 20 0 GDADMM COc1ccc(CN(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1O ZINC000826193132 607627944 /nfs/dbraw/zinc/62/79/44/607627944.db2.gz QVXIGFIAICBHLS-UHFFFAOYSA-N -1 1 393.400 1.541 20 0 GDADMM COc1ccccc1[C@H](NC(=O)[O-])C(=O)N1CCN(C2CCOCC2)CC1 ZINC000829603362 603476349 /nfs/dbraw/zinc/47/63/49/603476349.db2.gz HERSORGOHPVFHD-KRWDZBQOSA-N -1 1 377.441 1.327 20 0 GDADMM C[C@@H](CN1CCN(C)CC1)NC(=O)N1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000824906025 603480768 /nfs/dbraw/zinc/48/07/68/603480768.db2.gz ANTZHDQUIBPVJJ-HNNXBMFYSA-N -1 1 381.521 1.186 20 0 GDADMM CCCc1nc([C@H]2CN(C(=O)NC3CCC(NC(=O)[O-])CC3)CCO2)n[nH]1 ZINC000826954636 603524198 /nfs/dbraw/zinc/52/41/98/603524198.db2.gz STLMIJJGVBZRHZ-WXRRBKDZSA-N -1 1 380.449 1.419 20 0 GDADMM CCCc1n[nH]c([C@H]2CN(C(=O)NC3CCC(NC(=O)[O-])CC3)CCO2)n1 ZINC000826954636 603524199 /nfs/dbraw/zinc/52/41/99/603524199.db2.gz STLMIJJGVBZRHZ-WXRRBKDZSA-N -1 1 380.449 1.419 20 0 GDADMM CC(C)[C@H](CCN(C)C(=O)c1ccnc(N2CCN(C)CC2)c1)NC(=O)[O-] ZINC000824099056 603574248 /nfs/dbraw/zinc/57/42/48/603574248.db2.gz MOKGITVTAHZDMT-INIZCTEOSA-N -1 1 377.489 1.588 20 0 GDADMM O=S(=O)(N[C@H](CO)c1ccc(F)cc1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826487018 607638448 /nfs/dbraw/zinc/63/84/48/607638448.db2.gz ADUQIZGVWUMNKZ-GFCCVEGCSA-N -1 1 397.819 1.671 20 0 GDADMM O=S(=O)(N[C@H](CO)c1ccc(F)cc1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826487018 607638450 /nfs/dbraw/zinc/63/84/50/607638450.db2.gz ADUQIZGVWUMNKZ-GFCCVEGCSA-N -1 1 397.819 1.671 20 0 GDADMM O=S(=O)(N[C@H](CCCO)c1ccccc1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826487615 607644375 /nfs/dbraw/zinc/64/43/75/607644375.db2.gz UPZGBCUNPRMMDW-OAHLLOKOSA-N -1 1 391.428 1.798 20 0 GDADMM C[C@H](CO)[C@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824433653 607640931 /nfs/dbraw/zinc/64/09/31/607640931.db2.gz GNVVRNPHVQDWFK-SFYZADRCSA-N -1 1 379.364 1.181 20 0 GDADMM CN(Cc1cccc(NC(=O)C(=O)N2CCC(c3cnc[nH]3)CC2)c1)C(=O)[O-] ZINC000828365914 603674083 /nfs/dbraw/zinc/67/40/83/603674083.db2.gz LWOLHEXXLCAHEC-UHFFFAOYSA-N -1 1 385.424 1.864 20 0 GDADMM CC(=O)Nc1ccccc1CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824004982 607646247 /nfs/dbraw/zinc/64/62/47/607646247.db2.gz IQZWDGWWLRTZRZ-UHFFFAOYSA-N -1 1 390.400 1.443 20 0 GDADMM CC(=O)Nc1ccccc1CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824004982 607646249 /nfs/dbraw/zinc/64/62/49/607646249.db2.gz IQZWDGWWLRTZRZ-UHFFFAOYSA-N -1 1 390.400 1.443 20 0 GDADMM COc1cc(OC)cc(N2CC[C@H](N3CC[C@H](CN(C)C(=O)[O-])C3)C2=O)c1 ZINC000829211375 603706385 /nfs/dbraw/zinc/70/63/85/603706385.db2.gz RDPVWCATKWVWIU-DYVFJYSZSA-N -1 1 377.441 1.741 20 0 GDADMM Cc1nn(C)c(C)c1C[C@H](C)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826333622 607649409 /nfs/dbraw/zinc/64/94/09/607649409.db2.gz OXUXKXKNZVFKCS-VIFPVBQESA-N -1 1 393.448 1.266 20 0 GDADMM CC1(C)[C@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)[C@H]2CCCO[C@@H]21 ZINC000824791001 607647041 /nfs/dbraw/zinc/64/70/41/607647041.db2.gz VCDZAPLBWNIIPV-HONMWMINSA-N -1 1 381.433 1.488 20 0 GDADMM C[C@H](NC(=O)[O-])[C@H]1CCCCN1C(=O)CCN1CCN(c2ccccn2)CC1 ZINC000825191702 603718369 /nfs/dbraw/zinc/71/83/69/603718369.db2.gz AKWPFGQHVAUZJT-DLBZAZTESA-N -1 1 389.500 1.631 20 0 GDADMM C[C@H]1CN(Cc2ccc(CNC(=O)COC3CN(C(=O)[O-])C3)cc2)C[C@H](C)O1 ZINC000826057937 603745568 /nfs/dbraw/zinc/74/55/68/603745568.db2.gz LFDJAEJAGYJFKQ-GJZGRUSLSA-N -1 1 391.468 1.291 20 0 GDADMM O=S(=O)(NC[C@@H](O)c1c(F)cccc1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000826488976 607644478 /nfs/dbraw/zinc/64/44/78/607644478.db2.gz DVKBIXMBZSDVBJ-GFCCVEGCSA-N -1 1 398.807 1.066 20 0 GDADMM O=S(=O)(NC[C@@H](O)c1c(F)cccc1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000826488976 607644480 /nfs/dbraw/zinc/64/44/80/607644480.db2.gz DVKBIXMBZSDVBJ-GFCCVEGCSA-N -1 1 398.807 1.066 20 0 GDADMM CN([C@@H](CCO)c1ccccc1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825834512 607652825 /nfs/dbraw/zinc/65/28/25/607652825.db2.gz WYXOPYVBYGJYEQ-HNNXBMFYSA-N -1 1 391.428 1.750 20 0 GDADMM C[C@H](NC(=O)[O-])C1CCN(C(=O)c2cccc(CN3CCN(C)CC3)c2)CC1 ZINC000825286001 603766263 /nfs/dbraw/zinc/76/62/63/603766263.db2.gz CDVARZSPIZSLSA-INIZCTEOSA-N -1 1 388.512 1.942 20 0 GDADMM CC(C)(C(=O)NCc1nc2ccc(Cl)cc2[nH]1)N1CCN(C(=O)[O-])CC1 ZINC000823744199 603783006 /nfs/dbraw/zinc/78/30/06/603783006.db2.gz ZGQDJLVGWQQPHL-UHFFFAOYSA-N -1 1 379.848 1.907 20 0 GDADMM CN(C)Cc1cc(CNC(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)ccc1F ZINC000828043024 603803080 /nfs/dbraw/zinc/80/30/80/603803080.db2.gz YDVCEXRTODOAEF-UHFFFAOYSA-N -1 1 380.464 1.578 20 0 GDADMM CC(C)[C@@H](CCN(C)[C@@H](C)C(=O)N1CCN(c2ncccn2)CC1)NC(=O)[O-] ZINC000824100432 603852874 /nfs/dbraw/zinc/85/28/74/603852874.db2.gz VYKZZTIZAOLODU-JKSUJKDBSA-N -1 1 392.504 1.128 20 0 GDADMM CC(C)[C@@H](CCN(C)[C@H](C)C(=O)N1CCN(c2ccccn2)CC1)NC(=O)[O-] ZINC000824100607 603853544 /nfs/dbraw/zinc/85/35/44/603853544.db2.gz XBQILMPKLRHKRN-IAGOWNOFSA-N -1 1 391.516 1.733 20 0 GDADMM O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000832469194 603888142 /nfs/dbraw/zinc/88/81/42/603888142.db2.gz VSUCYGYLTLTJMC-HOTGVXAUSA-N -1 1 382.505 1.757 20 0 GDADMM C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2 ZINC000826049809 603907747 /nfs/dbraw/zinc/90/77/47/603907747.db2.gz 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C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)[C@@H](O)c1cccc(F)c1 ZINC000824640132 607662099 /nfs/dbraw/zinc/66/20/99/607662099.db2.gz AUFZLEKDDXOSGE-RFAUZJTJSA-N -1 1 395.391 1.545 20 0 GDADMM Cc1nc(CN2CCN(C(=O)[C@@H]3CCCCCC[C@@H]3NC(=O)[O-])CC2)n[nH]1 ZINC000830750472 603986574 /nfs/dbraw/zinc/98/65/74/603986574.db2.gz CBXMFCIFXQIWSC-CABCVRRESA-N -1 1 378.477 1.364 20 0 GDADMM O=C([O-])N(CCCNC(=O)Cn1c(=O)c2ccccc2[nH]c1=S)C1CC1 ZINC000831567395 604000608 /nfs/dbraw/zinc/00/06/08/604000608.db2.gz MWSWBZHTOQJEII-UHFFFAOYSA-N -1 1 376.438 1.334 20 0 GDADMM O=S(=O)(NCC1(CO)CCCCC1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826489872 607666246 /nfs/dbraw/zinc/66/62/46/607666246.db2.gz CBIZGGQJDMNHPN-UHFFFAOYSA-N -1 1 385.877 1.741 20 0 GDADMM O=S(=O)(NCC1(CO)CCCCC1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826489872 607666248 /nfs/dbraw/zinc/66/62/48/607666248.db2.gz CBIZGGQJDMNHPN-UHFFFAOYSA-N -1 1 385.877 1.741 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000826495821 607668461 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C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)[C@H](O)Cc1ccccc1 ZINC000824641768 607679353 /nfs/dbraw/zinc/67/93/53/607679353.db2.gz YQIYLFGLYSLQCM-SMDDNHRTSA-N -1 1 391.428 1.276 20 0 GDADMM CC(C)(C)NC(=O)CN1CCC(CNC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)CC1 ZINC000823771525 604251253 /nfs/dbraw/zinc/25/12/53/604251253.db2.gz DEFYGVBHFWJWKK-HUUCEWRRSA-N -1 1 382.505 1.166 20 0 GDADMM CC(=O)N1CCCN([C@@H]2CN(C(=O)CCN(C(=O)[O-])C(C)C)C[C@H]2C)CC1 ZINC000823556573 604312599 /nfs/dbraw/zinc/31/25/99/604312599.db2.gz ONAJUOIORVKMCA-NVXWUHKLSA-N -1 1 382.505 1.166 20 0 GDADMM C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(-n3[n-]c(CC(=O)[O-])cc3=O)cc2)C1 ZINC000830928077 604373838 /nfs/dbraw/zinc/37/38/38/604373838.db2.gz GPRZRWYWZPFNAR-MAUKXSAKSA-N -1 1 398.463 1.349 20 0 GDADMM C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(-n3[n-]c(CC(=O)[O-])cc3=O)cc2)C1 ZINC000830928077 604373840 /nfs/dbraw/zinc/37/38/40/604373840.db2.gz GPRZRWYWZPFNAR-MAUKXSAKSA-N -1 1 398.463 1.349 20 0 GDADMM COc1ccc(C)cc1NC(=O)CNC(=O)CNC1(C(=O)[O-])CCCCCC1 ZINC000833731359 604481989 /nfs/dbraw/zinc/48/19/89/604481989.db2.gz ZYHLAFOYUFEPRB-UHFFFAOYSA-N -1 1 391.468 1.826 20 0 GDADMM O=C(CN[C@@]1(C(=O)[O-])CCOC1)Nc1cccc(CN2CCSCC2)c1 ZINC000833764585 604487535 /nfs/dbraw/zinc/48/75/35/604487535.db2.gz JBGKOCZKRXIRND-SFHVURJKSA-N -1 1 379.482 1.007 20 0 GDADMM CN(C)C[C@@H]1CCCN1S(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000387327209 604489411 /nfs/dbraw/zinc/48/94/11/604489411.db2.gz SLRXEQAZTXXLQY-NSHDSACASA-N -1 1 391.287 1.862 20 0 GDADMM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)NCc2ccc(F)c(CN(C)C)c2)CCO1 ZINC000825317130 604552857 /nfs/dbraw/zinc/55/28/57/604552857.db2.gz BODHHFPJFZPIGO-LRDDRELGSA-N -1 1 382.436 1.454 20 0 GDADMM CN(CC(=O)Nc1cc(-n2cnnn2)ccc1F)C1CCC(NC(=O)[O-])CC1 ZINC000828115066 604578706 /nfs/dbraw/zinc/57/87/06/604578706.db2.gz PFFQRCRPBNNCCE-UHFFFAOYSA-N -1 1 391.407 1.251 20 0 GDADMM COc1ccc([C@H](CNC(=O)[C@H]2CN(C(=O)[O-])CCO2)N2CCCCC2)cc1 ZINC000829312579 604650741 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GDADMM CCN1C[C@H](CN(C)C(=O)Nc2nn(C)cc2-c2nn[n-]n2)Oc2ccccc21 ZINC000821243027 606165236 /nfs/dbraw/zinc/16/52/36/606165236.db2.gz YISLYBQVEQQMCB-LBPRGKRZSA-N -1 1 397.443 1.351 20 0 GDADMM COc1ccccc1C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)C(C)C ZINC000821889461 606168666 /nfs/dbraw/zinc/16/86/66/606168666.db2.gz BQAYTGCRNPHGBL-CQSZACIVSA-N -1 1 384.444 1.998 20 0 GDADMM COc1ccccc1C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)C(C)C ZINC000821889461 606168668 /nfs/dbraw/zinc/16/86/68/606168668.db2.gz BQAYTGCRNPHGBL-CQSZACIVSA-N -1 1 384.444 1.998 20 0 GDADMM CO[C@@H](C)c1noc(Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)n1 ZINC000821675100 606172020 /nfs/dbraw/zinc/17/20/20/606172020.db2.gz CZMUMJBWSYQMGT-QMMMGPOBSA-N -1 1 387.787 1.974 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000822004270 606192951 /nfs/dbraw/zinc/19/29/51/606192951.db2.gz DTYPRASANPCKFD-CRAIPNDOSA-N -1 1 394.435 1.291 20 0 GDADMM O=C([C@H]1C[C@H]1C1CC1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000822917094 606277522 /nfs/dbraw/zinc/27/75/22/606277522.db2.gz NFHHQFXEGUMDJZ-STQMWFEESA-N -1 1 395.423 1.809 20 0 GDADMM CCC[C@H](NC(=O)CCCCOc1cccc(-c2nn[nH]n2)c1)c1nn[n-]n1 ZINC000821021739 606340871 /nfs/dbraw/zinc/34/08/71/606340871.db2.gz ONQXOKNTMWCGPG-AWEZNQCLSA-N -1 1 385.432 1.587 20 0 GDADMM O=C(OC[C@@H]1CCCN(C(=O)c2ccccc2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823396820 606400599 /nfs/dbraw/zinc/40/05/99/606400599.db2.gz NVSQZQFANMZWOW-CQSZACIVSA-N -1 1 392.419 1.971 20 0 GDADMM O=C(OC[C@@H]1CCCN(C(=O)c2ccccc2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823396820 606400601 /nfs/dbraw/zinc/40/06/01/606400601.db2.gz NVSQZQFANMZWOW-CQSZACIVSA-N -1 1 392.419 1.971 20 0 GDADMM CN1C(=O)N[C@@]2(CCC[C@H]2CNc2ccc(Cl)c(-c3nnn[n-]3)n2)C1=O ZINC000821620589 606422589 /nfs/dbraw/zinc/42/25/89/606422589.db2.gz PMHOWGOIOSTQPC-VXJOIVPMSA-N -1 1 376.808 1.048 20 0 GDADMM CN1C(=O)N[C@@]2(CCC[C@H]2CNc2ccc(Cl)c(-c3nn[n-]n3)n2)C1=O ZINC000821620589 606422591 /nfs/dbraw/zinc/42/25/91/606422591.db2.gz PMHOWGOIOSTQPC-VXJOIVPMSA-N -1 1 376.808 1.048 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC(c2ccc(F)cc2)CC1 ZINC000823600287 606437490 /nfs/dbraw/zinc/43/74/90/606437490.db2.gz FMBORVBBTBZSAY-UHFFFAOYSA-N -1 1 388.428 1.969 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC(c2ccc(F)cc2)CC1 ZINC000823600287 606437491 /nfs/dbraw/zinc/43/74/91/606437491.db2.gz FMBORVBBTBZSAY-UHFFFAOYSA-N -1 1 388.428 1.969 20 0 GDADMM COc1ccc(CN(CCO)c2ccc(Cl)c(-c3nnn[n-]3)n2)c(OC)c1 ZINC000821794765 606468792 /nfs/dbraw/zinc/46/87/92/606468792.db2.gz MOESWFRGYDANNL-UHFFFAOYSA-N -1 1 390.831 1.931 20 0 GDADMM COc1ccc(CN(CCO)c2ccc(Cl)c(-c3nn[n-]n3)n2)c(OC)c1 ZINC000821794765 606468793 /nfs/dbraw/zinc/46/87/93/606468793.db2.gz MOESWFRGYDANNL-UHFFFAOYSA-N -1 1 390.831 1.931 20 0 GDADMM O=S(=O)(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823573009 606474711 /nfs/dbraw/zinc/47/47/11/606474711.db2.gz PZYUKYARFKQWBZ-ZJUUUORDSA-N -1 1 390.391 1.909 20 0 GDADMM O=S(=O)(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823573009 606474712 /nfs/dbraw/zinc/47/47/12/606474712.db2.gz PZYUKYARFKQWBZ-ZJUUUORDSA-N -1 1 390.391 1.909 20 0 GDADMM CN(C[C@H]1CCOC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000821598344 606484498 /nfs/dbraw/zinc/48/44/98/606484498.db2.gz ZFKKTGHBOLPPGX-SECBINFHSA-N -1 1 391.375 1.543 20 0 GDADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(S(C)(=O)=O)cc1 ZINC000820389942 606498279 /nfs/dbraw/zinc/49/82/79/606498279.db2.gz CGNWFTVYBLRIPR-SECBINFHSA-N -1 1 377.451 1.823 20 0 GDADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(S(C)(=O)=O)cc1 ZINC000820389942 606498281 /nfs/dbraw/zinc/49/82/81/606498281.db2.gz CGNWFTVYBLRIPR-SECBINFHSA-N -1 1 377.451 1.823 20 0 GDADMM O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823139634 606499893 /nfs/dbraw/zinc/49/98/93/606499893.db2.gz IUPRCDBXIDEZKQ-AWEZNQCLSA-N -1 1 384.465 1.732 20 0 GDADMM O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823139634 606499895 /nfs/dbraw/zinc/49/98/95/606499895.db2.gz IUPRCDBXIDEZKQ-AWEZNQCLSA-N -1 1 384.465 1.732 20 0 GDADMM CN(C)C(=O)COc1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821578233 606512819 /nfs/dbraw/zinc/51/28/19/606512819.db2.gz UMRYRICNIYMZNR-UHFFFAOYSA-N -1 1 386.437 1.325 20 0 GDADMM CN(C)C(=O)COc1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821578233 606512820 /nfs/dbraw/zinc/51/28/20/606512820.db2.gz UMRYRICNIYMZNR-UHFFFAOYSA-N -1 1 386.437 1.325 20 0 GDADMM CCc1ccccc1N1C[C@@H](C(=O)OCc2ccnc(-c3nnn[n-]3)c2)CC1=O ZINC000821496928 606518791 /nfs/dbraw/zinc/51/87/91/606518791.db2.gz LKZHGCGDBLWFBE-HNNXBMFYSA-N -1 1 392.419 1.920 20 0 GDADMM CCc1ccccc1N1C[C@@H](C(=O)OCc2ccnc(-c3nn[n-]n3)c2)CC1=O ZINC000821496928 606518792 /nfs/dbraw/zinc/51/87/92/606518792.db2.gz LKZHGCGDBLWFBE-HNNXBMFYSA-N -1 1 392.419 1.920 20 0 GDADMM CC(C)Cn1nc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)c2ccccc2c1=O ZINC000820112421 606531484 /nfs/dbraw/zinc/53/14/84/606531484.db2.gz TYEHACQIYIZDHS-UHFFFAOYSA-N -1 1 379.384 1.208 20 0 GDADMM CC(C)Cn1nc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)c2ccccc2c1=O ZINC000820112421 606531487 /nfs/dbraw/zinc/53/14/87/606531487.db2.gz TYEHACQIYIZDHS-UHFFFAOYSA-N -1 1 379.384 1.208 20 0 GDADMM Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000822344845 606531913 /nfs/dbraw/zinc/53/19/13/606531913.db2.gz BMBQBADRRHBAHT-AWEZNQCLSA-N -1 1 382.428 1.681 20 0 GDADMM Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000822344845 606531915 /nfs/dbraw/zinc/53/19/15/606531915.db2.gz BMBQBADRRHBAHT-AWEZNQCLSA-N -1 1 382.428 1.681 20 0 GDADMM O=C(NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823261134 606535555 /nfs/dbraw/zinc/53/55/55/606535555.db2.gz BWIDZGHESDUATM-CYBMUJFWSA-N -1 1 398.448 1.976 20 0 GDADMM O=C(NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823261134 606535557 /nfs/dbraw/zinc/53/55/57/606535557.db2.gz BWIDZGHESDUATM-CYBMUJFWSA-N -1 1 398.448 1.976 20 0 GDADMM Cc1cccc(-n2cc(C(=O)COC(=O)c3ccc(-c4nnn[n-]4)nc3)nn2)c1 ZINC000822284579 606561344 /nfs/dbraw/zinc/56/13/44/606561344.db2.gz VUZWTDYBTGAMNX-UHFFFAOYSA-N -1 1 390.363 1.191 20 0 GDADMM Cc1cccc(-n2cc(C(=O)COC(=O)c3ccc(-c4nn[n-]n4)nc3)nn2)c1 ZINC000822284579 606561346 /nfs/dbraw/zinc/56/13/46/606561346.db2.gz VUZWTDYBTGAMNX-UHFFFAOYSA-N -1 1 390.363 1.191 20 0 GDADMM O=C(Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823519766 606570326 /nfs/dbraw/zinc/57/03/26/606570326.db2.gz IKOBWTLNGBVTKI-SNVBAGLBSA-N -1 1 382.405 1.386 20 0 GDADMM O=C(Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823519766 606570327 /nfs/dbraw/zinc/57/03/27/606570327.db2.gz IKOBWTLNGBVTKI-SNVBAGLBSA-N -1 1 382.405 1.386 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@@H]1CSCCS1 ZINC000822005120 606590838 /nfs/dbraw/zinc/59/08/38/606590838.db2.gz ORNFUDIXJCUQFF-LLVKDONJSA-N -1 1 394.526 1.482 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000823478584 606623985 /nfs/dbraw/zinc/62/39/85/606623985.db2.gz MNWDNEYWCIKUII-TZMCWYRMSA-N -1 1 386.437 1.288 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000823478584 606623986 /nfs/dbraw/zinc/62/39/86/606623986.db2.gz MNWDNEYWCIKUII-TZMCWYRMSA-N -1 1 386.437 1.288 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H](c2ccc(F)cc2)C(C)(C)C)n(C)c1=O ZINC000822600662 606643603 /nfs/dbraw/zinc/64/36/03/606643603.db2.gz OYKVZDRYROXBNM-CYBMUJFWSA-N -1 1 387.419 1.603 20 0 GDADMM NC(=O)c1cn(CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)c2ccccc12 ZINC000822890288 606648095 /nfs/dbraw/zinc/64/80/95/606648095.db2.gz RLHCLSIHMZASEA-UHFFFAOYSA-N -1 1 377.364 1.059 20 0 GDADMM NC(=O)c1cn(CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)c2ccccc12 ZINC000822890288 606648096 /nfs/dbraw/zinc/64/80/96/606648096.db2.gz RLHCLSIHMZASEA-UHFFFAOYSA-N -1 1 377.364 1.059 20 0 GDADMM CN(C)C(=O)COc1ccccc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821578259 606649480 /nfs/dbraw/zinc/64/94/80/606649480.db2.gz VTWVLPCSTWMQJA-UHFFFAOYSA-N -1 1 382.380 1.086 20 0 GDADMM CN(C)C(=O)COc1ccccc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821578259 606649481 /nfs/dbraw/zinc/64/94/81/606649481.db2.gz VTWVLPCSTWMQJA-UHFFFAOYSA-N -1 1 382.380 1.086 20 0 GDADMM COc1ccccc1N1C[C@H](C(=O)OCc2ccnc(-c3nnn[n-]3)c2)CC1=O ZINC000821896835 606651082 /nfs/dbraw/zinc/65/10/82/606651082.db2.gz CGZQPZFPGRPRFU-CYBMUJFWSA-N -1 1 394.391 1.367 20 0 GDADMM COc1ccccc1N1C[C@H](C(=O)OCc2ccnc(-c3nn[n-]n3)c2)CC1=O ZINC000821896835 606651083 /nfs/dbraw/zinc/65/10/83/606651083.db2.gz CGZQPZFPGRPRFU-CYBMUJFWSA-N -1 1 394.391 1.367 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cc(N2CCCC2=O)ccc1F ZINC000823436477 606651460 /nfs/dbraw/zinc/65/14/60/606651460.db2.gz XCUDABGZWVTRRC-UHFFFAOYSA-N -1 1 382.355 1.885 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cc(N2CCCC2=O)ccc1F ZINC000823436477 606651461 /nfs/dbraw/zinc/65/14/61/606651461.db2.gz XCUDABGZWVTRRC-UHFFFAOYSA-N -1 1 382.355 1.885 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000823436532 606653842 /nfs/dbraw/zinc/65/38/42/606653842.db2.gz ZSDBTOAUFFDOGG-AWEZNQCLSA-N -1 1 388.453 1.397 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000823436532 606653843 /nfs/dbraw/zinc/65/38/43/606653843.db2.gz ZSDBTOAUFFDOGG-AWEZNQCLSA-N -1 1 388.453 1.397 20 0 GDADMM CS(=O)(=O)c1ccc(F)c([N-]C(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)c1 ZINC000821937720 606666429 /nfs/dbraw/zinc/66/64/29/606666429.db2.gz PSMQQLPBMAUMIJ-UHFFFAOYSA-N -1 1 397.338 1.940 20 0 GDADMM Cc1cccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1F ZINC000822284757 606738662 /nfs/dbraw/zinc/73/86/62/606738662.db2.gz YXBXYJGGUKJFAC-GFCCVEGCSA-N -1 1 382.403 1.455 20 0 GDADMM Cc1cccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1F ZINC000822284757 606738663 /nfs/dbraw/zinc/73/86/63/606738663.db2.gz YXBXYJGGUKJFAC-GFCCVEGCSA-N -1 1 382.403 1.455 20 0 GDADMM CC[C@@H](C)C(=O)COC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000820859407 606751858 /nfs/dbraw/zinc/75/18/58/606751858.db2.gz DSOJDUSODJNDMB-SNVBAGLBSA-N -1 1 385.428 1.617 20 0 GDADMM CC[C@@H](C)C(=O)COC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000820859407 606751860 /nfs/dbraw/zinc/75/18/60/606751860.db2.gz DSOJDUSODJNDMB-SNVBAGLBSA-N -1 1 385.428 1.617 20 0 GDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC000822903092 606765109 /nfs/dbraw/zinc/76/51/09/606765109.db2.gz GQQPBIRFAREUGW-UHFFFAOYSA-N -1 1 389.301 1.538 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1nc(-c2ccco2)no1 ZINC000820804675 606785487 /nfs/dbraw/zinc/78/54/87/606785487.db2.gz XJRLBTZPJFZBSU-LLVKDONJSA-N -1 1 394.399 1.010 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1nc(-c2ccco2)no1 ZINC000820804675 606785489 /nfs/dbraw/zinc/78/54/89/606785489.db2.gz XJRLBTZPJFZBSU-LLVKDONJSA-N -1 1 394.399 1.010 20 0 GDADMM C[C@@H](Cc1ccco1)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820301685 606786560 /nfs/dbraw/zinc/78/65/60/606786560.db2.gz ZGZHPZDZDZKUPR-QWHCGFSZSA-N -1 1 397.443 1.101 20 0 GDADMM C[C@@H](Cc1ccco1)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820301685 606786562 /nfs/dbraw/zinc/78/65/62/606786562.db2.gz ZGZHPZDZDZKUPR-QWHCGFSZSA-N -1 1 397.443 1.101 20 0 GDADMM C[C@@H](CNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)C(C)(C)C ZINC000820789225 606792467 /nfs/dbraw/zinc/79/24/67/606792467.db2.gz YINKRAQUNMJXBT-QWHCGFSZSA-N -1 1 387.492 1.559 20 0 GDADMM C[C@@H](CNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)C(C)(C)C ZINC000820789225 606792469 /nfs/dbraw/zinc/79/24/69/606792469.db2.gz YINKRAQUNMJXBT-QWHCGFSZSA-N -1 1 387.492 1.559 20 0 GDADMM CSCC[C@@H](C)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821962779 606793147 /nfs/dbraw/zinc/79/31/47/606793147.db2.gz WPKJGOHFEWPILB-VXGBXAGGSA-N -1 1 391.505 1.018 20 0 GDADMM CSCC[C@@H](C)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821962779 606793149 /nfs/dbraw/zinc/79/31/49/606793149.db2.gz WPKJGOHFEWPILB-VXGBXAGGSA-N -1 1 391.505 1.018 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C=C(C1CC1)C1CC1 ZINC000820777116 606820120 /nfs/dbraw/zinc/82/01/20/606820120.db2.gz PECRZQIRQCGSSO-GFCCVEGCSA-N -1 1 380.456 1.440 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C=C(C1CC1)C1CC1 ZINC000820777116 606820122 /nfs/dbraw/zinc/82/01/22/606820122.db2.gz PECRZQIRQCGSSO-GFCCVEGCSA-N -1 1 380.456 1.440 20 0 GDADMM Cc1ccc(C)c(CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1 ZINC000822231613 606820542 /nfs/dbraw/zinc/82/05/42/606820542.db2.gz ACWAWWAMGYXOTB-OAHLLOKOSA-N -1 1 392.467 1.553 20 0 GDADMM Cc1ccc(C)c(CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1 ZINC000822231613 606820543 /nfs/dbraw/zinc/82/05/43/606820543.db2.gz ACWAWWAMGYXOTB-OAHLLOKOSA-N -1 1 392.467 1.553 20 0 GDADMM COc1cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)ccc1C ZINC000821703026 606820584 /nfs/dbraw/zinc/82/05/84/606820584.db2.gz LGDKCLMSAMWJJS-CYBMUJFWSA-N -1 1 394.439 1.325 20 0 GDADMM COc1cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)ccc1C ZINC000821703026 606820585 /nfs/dbraw/zinc/82/05/85/606820585.db2.gz LGDKCLMSAMWJJS-CYBMUJFWSA-N -1 1 394.439 1.325 20 0 GDADMM Cc1noc(C)c1[C@@H](C)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000822519650 606820614 /nfs/dbraw/zinc/82/06/14/606820614.db2.gz KHBCCPARGWNPCV-GHMZBOCLSA-N -1 1 397.443 1.102 20 0 GDADMM Cc1noc(C)c1[C@@H](C)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000822519650 606820615 /nfs/dbraw/zinc/82/06/15/606820615.db2.gz KHBCCPARGWNPCV-GHMZBOCLSA-N -1 1 397.443 1.102 20 0 GDADMM Cc1ccc(CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cc1 ZINC000822233553 606820629 /nfs/dbraw/zinc/82/06/29/606820629.db2.gz RFUQGBFSAAJNAM-CQSZACIVSA-N -1 1 378.440 1.245 20 0 GDADMM Cc1ccc(CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cc1 ZINC000822233553 606820630 /nfs/dbraw/zinc/82/06/30/606820630.db2.gz RFUQGBFSAAJNAM-CQSZACIVSA-N -1 1 378.440 1.245 20 0 GDADMM C[C@@H]1CCC[C@@H](CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)C1 ZINC000820696951 606824408 /nfs/dbraw/zinc/82/44/08/606824408.db2.gz DEOPHZAWPLMOQV-RBSFLKMASA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCC[C@@H](CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)C1 ZINC000820696951 606824409 /nfs/dbraw/zinc/82/44/09/606824409.db2.gz DEOPHZAWPLMOQV-RBSFLKMASA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCCc1ccccc1 ZINC000820775897 606824731 /nfs/dbraw/zinc/82/47/31/606824731.db2.gz JSRYXNIPQGOOCJ-HNNXBMFYSA-N -1 1 392.467 1.717 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCCc1ccccc1 ZINC000820775897 606824732 /nfs/dbraw/zinc/82/47/32/606824732.db2.gz JSRYXNIPQGOOCJ-HNNXBMFYSA-N -1 1 392.467 1.717 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cccc(N(C)C)c1 ZINC000820788866 606854879 /nfs/dbraw/zinc/85/48/79/606854879.db2.gz PZFIDHBSJAGGLI-ZDUSSCGKSA-N -1 1 393.455 1.074 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cccc(N(C)C)c1 ZINC000820788866 606854880 /nfs/dbraw/zinc/85/48/80/606854880.db2.gz PZFIDHBSJAGGLI-ZDUSSCGKSA-N -1 1 393.455 1.074 20 0 GDADMM CCO[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C12CCC2 ZINC000821359877 606875035 /nfs/dbraw/zinc/87/50/35/606875035.db2.gz PFQKAHFRPOWBIC-GJZGRUSLSA-N -1 1 395.460 1.974 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@]1(C)CCCS1 ZINC000822004276 606954676 /nfs/dbraw/zinc/95/46/76/606954676.db2.gz DVQUOECBWZRQCL-KRWDZBQOSA-N -1 1 376.486 1.919 20 0 GDADMM Cc1ccc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c(O[C@H]2CCOC2)c1 ZINC000822237517 606956521 /nfs/dbraw/zinc/95/65/21/606956521.db2.gz XOFZBYXFFBGIRT-ZDUSSCGKSA-N -1 1 398.427 1.398 20 0 GDADMM Cc1ccc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c(O[C@H]2CCOC2)c1 ZINC000822237517 606956523 /nfs/dbraw/zinc/95/65/23/606956523.db2.gz XOFZBYXFFBGIRT-ZDUSSCGKSA-N -1 1 398.427 1.398 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)N[C@H]2CCc3c[nH]nc3C2)c1-c1nn[n-]n1 ZINC000821990075 606985614 /nfs/dbraw/zinc/98/56/14/606985614.db2.gz PLDZLXUWHRPQCA-NSHDSACASA-N -1 1 396.480 1.871 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000823600626 607006723 /nfs/dbraw/zinc/00/67/23/607006723.db2.gz JGSWVCFPNKZCRA-BDJLRTHQSA-N -1 1 397.888 1.836 20 0 GDADMM C[C@H](CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)c1ccncc1 ZINC000820219200 607019370 /nfs/dbraw/zinc/01/93/70/607019370.db2.gz DHOVSAFSHHJPAN-KGLIPLIRSA-N -1 1 393.455 1.283 20 0 GDADMM C[C@H](CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)c1ccncc1 ZINC000820219200 607019372 /nfs/dbraw/zinc/01/93/72/607019372.db2.gz DHOVSAFSHHJPAN-KGLIPLIRSA-N -1 1 393.455 1.283 20 0 GDADMM CS(=O)(=O)Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1F ZINC000821926532 607066226 /nfs/dbraw/zinc/06/62/26/607066226.db2.gz HVWOIIHSSKZVKC-UHFFFAOYSA-N -1 1 381.414 1.864 20 0 GDADMM CS(=O)(=O)Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1F ZINC000821926532 607066227 /nfs/dbraw/zinc/06/62/27/607066227.db2.gz HVWOIIHSSKZVKC-UHFFFAOYSA-N -1 1 381.414 1.864 20 0 GDADMM CC1(C)Cc2cc(NC(=O)NCCCc3[nH]nc(N)c3-c3nnn[n-]3)ccc2O1 ZINC000820607620 607095140 /nfs/dbraw/zinc/09/51/40/607095140.db2.gz XDKAXXZCRCNFQL-UHFFFAOYSA-N -1 1 397.443 1.640 20 0 GDADMM CC1(C)Cc2cc(NC(=O)NCCCc3[nH]nc(N)c3-c3nn[n-]n3)ccc2O1 ZINC000820607620 607095142 /nfs/dbraw/zinc/09/51/42/607095142.db2.gz XDKAXXZCRCNFQL-UHFFFAOYSA-N -1 1 397.443 1.640 20 0 GDADMM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[nH]n3)c2)c1 ZINC000821727642 607122220 /nfs/dbraw/zinc/12/22/20/607122220.db2.gz LNONXHCETGPTER-UHFFFAOYSA-N -1 1 379.373 1.824 20 0 GDADMM Cc1cc(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)oc1C ZINC000822168989 607146063 /nfs/dbraw/zinc/14/60/63/607146063.db2.gz WEIOKEJIHHTXMX-UHFFFAOYSA-N -1 1 383.412 1.904 20 0 GDADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N(C)CC2 ZINC000822223635 607155617 /nfs/dbraw/zinc/15/56/17/607155617.db2.gz FEKBLUPJJCTHJC-UHFFFAOYSA-N -1 1 398.448 1.604 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Oc1ccc(NC(=O)c2cccs2)cc1 ZINC000823136059 607157574 /nfs/dbraw/zinc/15/75/74/607157574.db2.gz IAVCUNZGXKSHLQ-UHFFFAOYSA-N -1 1 396.392 1.378 20 0 GDADMM CC(C)COc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1Cl ZINC000820102672 607206905 /nfs/dbraw/zinc/20/69/05/607206905.db2.gz GKRQTYFKFLCPCC-UHFFFAOYSA-N -1 1 376.808 1.785 20 0 GDADMM CC[C@@H](C)[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1nc2ccccc2[nH]1 ZINC000820859475 607209021 /nfs/dbraw/zinc/20/90/21/607209021.db2.gz DZABNUGTAGSSJY-YGRLFVJLSA-N -1 1 380.416 1.238 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCC1(c2ccc(F)cc2)CCCCC1 ZINC000823127104 607210842 /nfs/dbraw/zinc/21/08/42/607210842.db2.gz SYPYMONCJJETCW-UHFFFAOYSA-N -1 1 384.419 1.616 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H](COc1ccccc1)c1ccccc1 ZINC000823127177 607215573 /nfs/dbraw/zinc/21/55/73/607215573.db2.gz VYURSBMUPRDLGV-MRXNPFEDSA-N -1 1 390.407 1.395 20 0 GDADMM Cc1ccc(COc2cccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)c2)cc1 ZINC000822238886 607216022 /nfs/dbraw/zinc/21/60/22/607216022.db2.gz YPKZTQANJYQMNS-UHFFFAOYSA-N -1 1 390.407 1.984 20 0 GDADMM CC1CCC(Oc2cc(CNC(=O)Cn3cnc(-c4nn[n-]n4)n3)ccn2)CC1 ZINC000820691490 607216515 /nfs/dbraw/zinc/21/65/15/607216515.db2.gz XRSUIUQTAHLXQK-UHFFFAOYSA-N -1 1 397.443 1.127 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H](Cc1ccccc1)c1ccccc1F ZINC000823126019 607219008 /nfs/dbraw/zinc/21/90/08/607219008.db2.gz FMPNSSQAHZWQEL-INIZCTEOSA-N -1 1 392.398 1.698 20 0 GDADMM O=C(C[C@@H]1CCCCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000822941541 607221783 /nfs/dbraw/zinc/22/17/83/607221783.db2.gz YUXXXDQADMPTBQ-HNNXBMFYSA-N -1 1 394.439 1.502 20 0 GDADMM Cc1cccc(C)c1OC[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)C(C)(C)C ZINC000822294134 607223241 /nfs/dbraw/zinc/22/32/41/607223241.db2.gz SFMNJILLPPCYMC-AWEZNQCLSA-N -1 1 398.471 1.685 20 0 GDADMM COc1ccc(Br)c(CC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC000821769296 607239140 /nfs/dbraw/zinc/23/91/40/607239140.db2.gz GKWYQRFCMGGHQO-UHFFFAOYSA-N -1 1 392.217 1.553 20 0 GDADMM COc1ccc(Br)c(CC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC000821769296 607239141 /nfs/dbraw/zinc/23/91/41/607239141.db2.gz GKWYQRFCMGGHQO-UHFFFAOYSA-N -1 1 392.217 1.553 20 0 GDADMM COc1cccc(F)c1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821873674 607239960 /nfs/dbraw/zinc/23/99/60/607239960.db2.gz WMGFQXWIOOQJJB-NSHDSACASA-N -1 1 398.402 1.155 20 0 GDADMM COc1cccc(F)c1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821873674 607239961 /nfs/dbraw/zinc/23/99/61/607239961.db2.gz WMGFQXWIOOQJJB-NSHDSACASA-N -1 1 398.402 1.155 20 0 GDADMM O=S(=O)(N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826488122 607819035 /nfs/dbraw/zinc/81/90/35/607819035.db2.gz IPLQFBLAVJBFAC-FZQKWOKYSA-N -1 1 395.872 1.756 20 0 GDADMM O=S(=O)(N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826488122 607819036 /nfs/dbraw/zinc/81/90/36/607819036.db2.gz IPLQFBLAVJBFAC-FZQKWOKYSA-N -1 1 395.872 1.756 20 0 GDADMM CCCN(CCNC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)OC(C)(C)C ZINC000825314259 607823959 /nfs/dbraw/zinc/82/39/59/607823959.db2.gz ZUBLPUMGYOMFEA-UHFFFAOYSA-N -1 1 375.433 1.639 20 0 GDADMM CCCN(CCNC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)OC(C)(C)C ZINC000825314259 607823960 /nfs/dbraw/zinc/82/39/60/607823960.db2.gz ZUBLPUMGYOMFEA-UHFFFAOYSA-N -1 1 375.433 1.639 20 0 GDADMM CCc1nn(C)c(CC)c1CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825759500 607852508 /nfs/dbraw/zinc/85/25/08/607852508.db2.gz KELHTIVVHSFEJK-UHFFFAOYSA-N -1 1 393.448 1.343 20 0 GDADMM CCc1nn(C)c(CC)c1CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825759500 607852509 /nfs/dbraw/zinc/85/25/09/607852509.db2.gz KELHTIVVHSFEJK-UHFFFAOYSA-N -1 1 393.448 1.343 20 0 GDADMM CC(=O)N1CC[C@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000823974167 607852593 /nfs/dbraw/zinc/85/25/93/607852593.db2.gz NVNMKTBKOKCZMS-LLVKDONJSA-N -1 1 398.876 1.009 20 0 GDADMM Cc1ccc([C@@H](OC[C@H](O)Cn2cnc(-c3nn[n-]n3)n2)c2ccccc2)cc1 ZINC000826284543 607869154 /nfs/dbraw/zinc/86/91/54/607869154.db2.gz XAKGSKHJWXKUQT-MSOLQXFVSA-N -1 1 391.435 1.934 20 0 GDADMM COc1ccc(NC(=O)Cn2cc(Nc3cccc(-c4nnn[n-]4)n3)cn2)cc1 ZINC000826209686 607898308 /nfs/dbraw/zinc/89/83/08/607898308.db2.gz MEXUROGSIAIYMT-UHFFFAOYSA-N -1 1 391.395 1.849 20 0 GDADMM COc1ccc(NC(=O)Cn2cc(Nc3cccc(-c4nn[n-]n4)n3)cn2)cc1 ZINC000826209686 607898309 /nfs/dbraw/zinc/89/83/09/607898309.db2.gz MEXUROGSIAIYMT-UHFFFAOYSA-N -1 1 391.395 1.849 20 0 GDADMM O=C(NC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826434786 608005054 /nfs/dbraw/zinc/00/50/54/608005054.db2.gz XNLFSUTZUYYVQL-CQSZACIVSA-N -1 1 377.408 1.040 20 0 GDADMM O=C(NC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826434786 608005055 /nfs/dbraw/zinc/00/50/55/608005055.db2.gz XNLFSUTZUYYVQL-CQSZACIVSA-N -1 1 377.408 1.040 20 0 GDADMM CC(C)[C@@H](NC(=O)Cn1ccnc1-c1nnn[n-]1)c1ccc2c(c1)OCCCO2 ZINC000824193226 608012473 /nfs/dbraw/zinc/01/24/73/608012473.db2.gz VIGIUEVWTDOCDK-QGZVFWFLSA-N -1 1 397.439 1.738 20 0 GDADMM CC(C)[C@@H](NC(=O)Cn1ccnc1-c1nn[n-]n1)c1ccc2c(c1)OCCCO2 ZINC000824193226 608012474 /nfs/dbraw/zinc/01/24/74/608012474.db2.gz VIGIUEVWTDOCDK-QGZVFWFLSA-N -1 1 397.439 1.738 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccccc2F)C1=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826430834 608061399 /nfs/dbraw/zinc/06/13/99/608061399.db2.gz LKDGAUMRNMCKGH-LLVKDONJSA-N -1 1 386.412 1.993 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccccc2F)C1=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826430834 608061400 /nfs/dbraw/zinc/06/14/00/608061400.db2.gz LKDGAUMRNMCKGH-LLVKDONJSA-N -1 1 386.412 1.993 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)Nc1cccc(O)c1F ZINC000826328342 608087313 /nfs/dbraw/zinc/08/73/13/608087313.db2.gz OGYHNKPLNPWLIQ-UHFFFAOYSA-N -1 1 396.386 1.942 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)Nc1cccc(O)c1F ZINC000826328342 608087314 /nfs/dbraw/zinc/08/73/14/608087314.db2.gz OGYHNKPLNPWLIQ-UHFFFAOYSA-N -1 1 396.386 1.942 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CCCOc2ccc3ccccc3c2)c1=O ZINC000826356105 608095745 /nfs/dbraw/zinc/09/57/45/608095745.db2.gz ACYVSUYKIYPJHM-UHFFFAOYSA-N -1 1 378.392 1.349 20 0 GDADMM C[C@H]1CN(c2c3ccccc3nnc2-c2nnn[n-]2)CCN1CC(F)(F)F ZINC000824992149 608100326 /nfs/dbraw/zinc/10/03/26/608100326.db2.gz KJXSIRAMQCMSKL-JTQLQIEISA-N -1 1 378.362 1.883 20 0 GDADMM C[C@H]1CN(c2c3ccccc3nnc2-c2nn[n-]n2)CCN1CC(F)(F)F ZINC000824992149 608100327 /nfs/dbraw/zinc/10/03/27/608100327.db2.gz KJXSIRAMQCMSKL-JTQLQIEISA-N -1 1 378.362 1.883 20 0 GDADMM O=S(=O)(N[C@@H]1COc2cc(F)cc(F)c21)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826489244 608126957 /nfs/dbraw/zinc/12/69/57/608126957.db2.gz KWMANKHBDJJHEV-LLVKDONJSA-N -1 1 397.338 1.696 20 0 GDADMM CC1([C@H]2CCCN(S(=O)(=O)c3ccc(F)c(-c4nn[n-]n4)c3)C2)OCCO1 ZINC000824816840 608127042 /nfs/dbraw/zinc/12/70/42/608127042.db2.gz ISIZNLNKRCPRKC-NSHDSACASA-N -1 1 397.432 1.170 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OCC[C@@H]1CCCCO1 ZINC000826328702 608143366 /nfs/dbraw/zinc/14/33/66/608143366.db2.gz ZRSIDQOZWKQVNR-AWEZNQCLSA-N -1 1 399.455 1.961 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OCC[C@@H]1CCCCO1 ZINC000826328702 608143367 /nfs/dbraw/zinc/14/33/67/608143367.db2.gz ZRSIDQOZWKQVNR-AWEZNQCLSA-N -1 1 399.455 1.961 20 0 GDADMM NC(=O)[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)Cc1ccc(F)cc1 ZINC000826388649 608183278 /nfs/dbraw/zinc/18/32/78/608183278.db2.gz FWWVAQDCZIWCRS-QMMMGPOBSA-N -1 1 381.824 1.872 20 0 GDADMM NC(=O)[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)Cc1ccc(F)cc1 ZINC000826388649 608183279 /nfs/dbraw/zinc/18/32/79/608183279.db2.gz FWWVAQDCZIWCRS-QMMMGPOBSA-N -1 1 381.824 1.872 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1ncnc2ccc(F)cc21 ZINC000825001116 608188720 /nfs/dbraw/zinc/18/87/20/608188720.db2.gz XHAZTAVGCBBJPJ-NSHDSACASA-N -1 1 392.402 1.454 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1ncnc2ccc(F)cc21 ZINC000825001116 608188721 /nfs/dbraw/zinc/18/87/21/608188721.db2.gz XHAZTAVGCBBJPJ-NSHDSACASA-N -1 1 392.402 1.454 20 0 GDADMM O=C(N[C@@H](C(=O)Nc1cn[nH]c1)c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826425939 608203675 /nfs/dbraw/zinc/20/36/75/608203675.db2.gz AHCRILFPONJPFZ-OAHLLOKOSA-N -1 1 389.379 1.095 20 0 GDADMM O=C(N[C@@H](C(=O)Nc1cn[nH]c1)c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826425939 608203677 /nfs/dbraw/zinc/20/36/77/608203677.db2.gz AHCRILFPONJPFZ-OAHLLOKOSA-N -1 1 389.379 1.095 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C=C1CCSCC1 ZINC000824999976 608238639 /nfs/dbraw/zinc/23/86/39/608238639.db2.gz LQBJGEDEGNXJSR-LBPRGKRZSA-N -1 1 386.485 1.147 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C=C1CCSCC1 ZINC000824999976 608238640 /nfs/dbraw/zinc/23/86/40/608238640.db2.gz LQBJGEDEGNXJSR-LBPRGKRZSA-N -1 1 386.485 1.147 20 0 GDADMM C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824974739 608245495 /nfs/dbraw/zinc/24/54/95/608245495.db2.gz FBOKJZQYLJKMSP-NEPJUHHUSA-N -1 1 387.444 1.732 20 0 GDADMM C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824974739 608245497 /nfs/dbraw/zinc/24/54/97/608245497.db2.gz FBOKJZQYLJKMSP-NEPJUHHUSA-N -1 1 387.444 1.732 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000826495720 608305992 /nfs/dbraw/zinc/30/59/92/608305992.db2.gz YWUYCZKNMOOADS-STQMWFEESA-N -1 1 395.460 1.833 20 0 GDADMM CCCCC[C@@H]([N-]S(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F)C(=O)OC ZINC000825268332 608337328 /nfs/dbraw/zinc/33/73/28/608337328.db2.gz SMPRGVXZCMVVFN-CQSZACIVSA-N -1 1 399.448 1.547 20 0 GDADMM Cc1cccc(S(=O)(=O)Oc2ccc3c(c2)CCCNC3=O)c1-c1nn[n-]n1 ZINC000826304415 608342329 /nfs/dbraw/zinc/34/23/29/608342329.db2.gz KGUVFEWOBDNOCH-UHFFFAOYSA-N -1 1 399.432 1.619 20 0 GDADMM Cc1ccc(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)c(C)c1 ZINC000826287894 608343342 /nfs/dbraw/zinc/34/33/42/608343342.db2.gz IJLBRWRHJPFVMU-UHFFFAOYSA-N -1 1 396.455 1.690 20 0 GDADMM Cc1ccc(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)c(C)c1 ZINC000826287894 608343344 /nfs/dbraw/zinc/34/33/44/608343344.db2.gz IJLBRWRHJPFVMU-UHFFFAOYSA-N -1 1 396.455 1.690 20 0 GDADMM O=C1NCCCc2cc(OS(=O)(=O)c3ccccc3-c3nn[n-]n3)ccc21 ZINC000826483042 608343367 /nfs/dbraw/zinc/34/33/67/608343367.db2.gz ZANFHSAXLBTZRZ-UHFFFAOYSA-N -1 1 385.405 1.310 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NC2(c3ccccc3)CC2)n1 ZINC000824142892 608350742 /nfs/dbraw/zinc/35/07/42/608350742.db2.gz ZKBMHICEACDJNA-UHFFFAOYSA-N -1 1 394.439 1.562 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NC2(c3ccccc3)CC2)n1 ZINC000824142892 608350744 /nfs/dbraw/zinc/35/07/44/608350744.db2.gz ZKBMHICEACDJNA-UHFFFAOYSA-N -1 1 394.439 1.562 20 0 GDADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000824656131 608399240 /nfs/dbraw/zinc/39/92/40/608399240.db2.gz HZYZHFQXLBGZQK-NSHDSACASA-N -1 1 380.412 1.487 20 0 GDADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000824656131 608399242 /nfs/dbraw/zinc/39/92/42/608399242.db2.gz HZYZHFQXLBGZQK-NSHDSACASA-N -1 1 380.412 1.487 20 0 GDADMM O=C(Nc1ccc(Cl)cn1)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826453528 608402405 /nfs/dbraw/zinc/40/24/05/608402405.db2.gz OAZHTRZGRBAVNW-UHFFFAOYSA-N -1 1 385.819 1.560 20 0 GDADMM O=C(Nc1ccc(Cl)cn1)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826453528 608402407 /nfs/dbraw/zinc/40/24/07/608402407.db2.gz OAZHTRZGRBAVNW-UHFFFAOYSA-N -1 1 385.819 1.560 20 0 GDADMM C[C@@]1(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCCc2ccccc21 ZINC000824823935 608423355 /nfs/dbraw/zinc/42/33/55/608423355.db2.gz RCOFRSMGDMARDD-SFHVURJKSA-N -1 1 384.465 1.834 20 0 GDADMM C[C@@]1(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCCc2ccccc21 ZINC000824823935 608423356 /nfs/dbraw/zinc/42/33/56/608423356.db2.gz RCOFRSMGDMARDD-SFHVURJKSA-N -1 1 384.465 1.834 20 0 GDADMM Cc1cc(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)c(C)nn1 ZINC000826258741 608424849 /nfs/dbraw/zinc/42/48/49/608424849.db2.gz UUVKGZUGXXNBJF-UHFFFAOYSA-N -1 1 395.427 1.101 20 0 GDADMM O=C(c1cc2sccc2s1)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826471105 608433340 /nfs/dbraw/zinc/43/33/40/608433340.db2.gz NOKZEHUDOIXCSW-UHFFFAOYSA-N -1 1 398.477 1.895 20 0 GDADMM O=C(c1cc2sccc2s1)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826471105 608433342 /nfs/dbraw/zinc/43/33/42/608433342.db2.gz NOKZEHUDOIXCSW-UHFFFAOYSA-N -1 1 398.477 1.895 20 0 GDADMM O[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826507891 608436232 /nfs/dbraw/zinc/43/62/32/608436232.db2.gz YARMNRZMKUWWHW-AAEUAGOBSA-N -1 1 377.330 1.988 20 0 GDADMM O[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826507891 608436233 /nfs/dbraw/zinc/43/62/33/608436233.db2.gz YARMNRZMKUWWHW-AAEUAGOBSA-N -1 1 377.330 1.988 20 0 GDADMM C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000824737279 608437888 /nfs/dbraw/zinc/43/78/88/608437888.db2.gz DOIGZIZPSREUCH-VIFPVBQESA-N -1 1 387.318 1.246 20 0 GDADMM O=C(CN1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)Nc1ccc(Cl)cc1 ZINC000826410912 608438068 /nfs/dbraw/zinc/43/80/68/608438068.db2.gz CLNBGJQFFZZSTD-UHFFFAOYSA-N -1 1 399.846 1.071 20 0 GDADMM O=C(CN1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)Nc1ccc(Cl)cc1 ZINC000826410912 608438070 /nfs/dbraw/zinc/43/80/70/608438070.db2.gz CLNBGJQFFZZSTD-UHFFFAOYSA-N -1 1 399.846 1.071 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1cc(F)ccc1F ZINC000825929786 608548972 /nfs/dbraw/zinc/54/89/72/608548972.db2.gz JNRYWTWOKHBYKR-UHFFFAOYSA-N -1 1 377.359 1.547 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1cc(F)ccc1F ZINC000825929786 608548974 /nfs/dbraw/zinc/54/89/74/608548974.db2.gz JNRYWTWOKHBYKR-UHFFFAOYSA-N -1 1 377.359 1.547 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C[C@@H]1CCc2ccccc2C1 ZINC000825923463 608557026 /nfs/dbraw/zinc/55/70/26/608557026.db2.gz IWVCPXRDTVKMIY-CYBMUJFWSA-N -1 1 394.483 1.758 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C[C@@H]1CCc2ccccc2C1 ZINC000825923463 608557027 /nfs/dbraw/zinc/55/70/27/608557027.db2.gz IWVCPXRDTVKMIY-CYBMUJFWSA-N -1 1 394.483 1.758 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C1=NO[C@@H](c2ccccc2)C1 ZINC000825923283 608559447 /nfs/dbraw/zinc/55/94/47/608559447.db2.gz FNVYIYQJDLZHAF-CQSZACIVSA-N -1 1 395.427 1.081 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C1=NO[C@@H](c2ccccc2)C1 ZINC000825923283 608559448 /nfs/dbraw/zinc/55/94/48/608559448.db2.gz FNVYIYQJDLZHAF-CQSZACIVSA-N -1 1 395.427 1.081 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CSc1ccc(O)cc1 ZINC000825929563 608560620 /nfs/dbraw/zinc/56/06/20/608560620.db2.gz IHAOMJBRAZJWMH-UHFFFAOYSA-N -1 1 388.457 1.061 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CSc1ccc(O)cc1 ZINC000825929563 608560622 /nfs/dbraw/zinc/56/06/22/608560622.db2.gz IHAOMJBRAZJWMH-UHFFFAOYSA-N -1 1 388.457 1.061 20 0 GDADMM CC(C)[C@H](O)C1(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000824199717 608589482 /nfs/dbraw/zinc/58/94/82/608589482.db2.gz MATBRNWWBXHPMR-ZDUSSCGKSA-N -1 1 385.877 1.596 20 0 GDADMM CC(C)[C@H](O)C1(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000824199717 608589484 /nfs/dbraw/zinc/58/94/84/608589484.db2.gz MATBRNWWBXHPMR-ZDUSSCGKSA-N -1 1 385.877 1.596 20 0 GDADMM Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1Cc1ccc(-c2nnn[n-]2)o1 ZINC000826329048 608699431 /nfs/dbraw/zinc/69/94/31/608699431.db2.gz OLVMPAGJRWSQAQ-MRXNPFEDSA-N -1 1 378.396 1.089 20 0 GDADMM Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC000826329048 608699432 /nfs/dbraw/zinc/69/94/32/608699432.db2.gz OLVMPAGJRWSQAQ-MRXNPFEDSA-N -1 1 378.396 1.089 20 0 GDADMM Cc1cccc(O[C@@H](C)C(=O)N2CCN(Cc3ccc(-c4nnn[n-]4)o3)CC2)c1 ZINC000826300516 608717009 /nfs/dbraw/zinc/71/70/09/608717009.db2.gz XWGCEFXWVXPUCW-HNNXBMFYSA-N -1 1 396.451 1.880 20 0 GDADMM Cc1cccc(O[C@@H](C)C(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)o3)CC2)c1 ZINC000826300516 608717011 /nfs/dbraw/zinc/71/70/11/608717011.db2.gz XWGCEFXWVXPUCW-HNNXBMFYSA-N -1 1 396.451 1.880 20 0 GDADMM C[C@@H]1CN(c2ccc(NC(=O)Cn3ccnc3-c3nnn[n-]3)cc2)C[C@@H](C)O1 ZINC000824994209 608889714 /nfs/dbraw/zinc/88/97/14/608889714.db2.gz UIZMEGZWNVZOHL-CHWSQXEVSA-N -1 1 382.428 1.316 20 0 GDADMM C[C@@H]1CN(c2ccc(NC(=O)Cn3ccnc3-c3nn[n-]n3)cc2)C[C@@H](C)O1 ZINC000824994209 608889716 /nfs/dbraw/zinc/88/97/16/608889716.db2.gz UIZMEGZWNVZOHL-CHWSQXEVSA-N -1 1 382.428 1.316 20 0 GDADMM O=C(Cn1ccnc1-c1nnn[n-]1)NCCOc1cccc(C(F)(F)F)c1 ZINC000826424929 608890952 /nfs/dbraw/zinc/89/09/52/608890952.db2.gz IUZFGSCCRDAHKF-UHFFFAOYSA-N -1 1 381.318 1.277 20 0 GDADMM O=C(Cn1ccnc1-c1nn[n-]n1)NCCOc1cccc(C(F)(F)F)c1 ZINC000826424929 608890953 /nfs/dbraw/zinc/89/09/53/608890953.db2.gz IUZFGSCCRDAHKF-UHFFFAOYSA-N -1 1 381.318 1.277 20 0 GDADMM CS(=O)(=O)c1ccc(-c2nc(Cn3ccnc3-c3nnn[n-]3)cs2)cc1 ZINC000826224284 608894706 /nfs/dbraw/zinc/89/47/06/608894706.db2.gz XZADIWVVBGCMIU-UHFFFAOYSA-N -1 1 387.450 1.639 20 0 GDADMM CS(=O)(=O)c1ccc(-c2nc(Cn3ccnc3-c3nn[n-]n3)cs2)cc1 ZINC000826224284 608894709 /nfs/dbraw/zinc/89/47/09/608894709.db2.gz XZADIWVVBGCMIU-UHFFFAOYSA-N -1 1 387.450 1.639 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1cccc2c1OCCO2 ZINC000825930763 609154896 /nfs/dbraw/zinc/15/48/96/609154896.db2.gz YGGUISIVIHEUEN-UHFFFAOYSA-N -1 1 399.415 1.040 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1cccc2c1OCCO2 ZINC000825930763 609154898 /nfs/dbraw/zinc/15/48/98/609154898.db2.gz YGGUISIVIHEUEN-UHFFFAOYSA-N -1 1 399.415 1.040 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000825930012 609157069 /nfs/dbraw/zinc/15/70/69/609157069.db2.gz NZUFBYIJFDCAED-UHFFFAOYSA-N -1 1 399.463 1.356 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000825930012 609157070 /nfs/dbraw/zinc/15/70/70/609157070.db2.gz NZUFBYIJFDCAED-UHFFFAOYSA-N -1 1 399.463 1.356 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NN2CCc3ccccc3C2=O)cc1-c1nn[n-]n1 ZINC000826229375 609166464 /nfs/dbraw/zinc/16/64/64/609166464.db2.gz BNLZNCNKWFLANW-UHFFFAOYSA-N -1 1 397.420 1.033 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000826340870 609178011 /nfs/dbraw/zinc/17/80/11/609178011.db2.gz NWMNCONFRIBGNT-GFCCVEGCSA-N -1 1 395.423 1.300 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000826340870 609178013 /nfs/dbraw/zinc/17/80/13/609178013.db2.gz NWMNCONFRIBGNT-GFCCVEGCSA-N -1 1 395.423 1.300 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)Nc1ccc(O)cc1F ZINC000826328508 609267361 /nfs/dbraw/zinc/26/73/61/609267361.db2.gz UCERJFRHDBXZKY-UHFFFAOYSA-N -1 1 396.386 1.942 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)Nc1ccc(O)cc1F ZINC000826328508 609267363 /nfs/dbraw/zinc/26/73/63/609267363.db2.gz UCERJFRHDBXZKY-UHFFFAOYSA-N -1 1 396.386 1.942 20 0 GDADMM O=C1NCCN1Cc1ccccc1[N-]S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826482916 609274691 /nfs/dbraw/zinc/27/46/91/609274691.db2.gz UYSMARSPYUQYOB-UHFFFAOYSA-N -1 1 399.436 1.193 20 0 GDADMM COCc1cc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)no1 ZINC000826164306 609288708 /nfs/dbraw/zinc/28/87/08/609288708.db2.gz PRNKKHJFNZFVCM-UHFFFAOYSA-N -1 1 384.331 1.578 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCCC[C@@H]1[C@H](C)O ZINC000826328596 609295276 /nfs/dbraw/zinc/29/52/76/609295276.db2.gz WSBLVIMKHPDIGY-XJKSGUPXSA-N -1 1 398.471 1.221 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCCC[C@@H]1[C@H](C)O ZINC000826328596 609295278 /nfs/dbraw/zinc/29/52/78/609295278.db2.gz WSBLVIMKHPDIGY-XJKSGUPXSA-N -1 1 398.471 1.221 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2cccc(SC(F)(F)F)c2)c1=O ZINC000826356812 609305225 /nfs/dbraw/zinc/30/52/25/609305225.db2.gz GYKAIBBSXSJCRE-UHFFFAOYSA-N -1 1 384.343 1.387 20 0 GDADMM O=S(=O)(NCc1ccccc1N1CCCCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826491872 609332962 /nfs/dbraw/zinc/33/29/62/609332962.db2.gz HOBDUVBOODUGGS-UHFFFAOYSA-N -1 1 399.480 1.731 20 0 GDADMM O=S(=O)(NCc1ccccc1N1CCCCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826491872 609332964 /nfs/dbraw/zinc/33/29/64/609332964.db2.gz HOBDUVBOODUGGS-UHFFFAOYSA-N -1 1 399.480 1.731 20 0 GDADMM CC(C)C[C@H](CO)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824236467 609356983 /nfs/dbraw/zinc/35/69/83/609356983.db2.gz OAVXOTJZJMPUDQ-LLVKDONJSA-N -1 1 388.407 1.720 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N1CC[C@@]2(CCOC2)C1 ZINC000826458185 609359983 /nfs/dbraw/zinc/35/99/83/609359983.db2.gz GXIXQZZPNNNRBT-GOSISDBHSA-N -1 1 398.402 1.836 20 0 GDADMM Cn1nccc1CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826366500 609361727 /nfs/dbraw/zinc/36/17/27/609361727.db2.gz LCNATVFCTZHEBH-UHFFFAOYSA-N -1 1 382.363 1.247 20 0 GDADMM CCN(CC1CC1)C(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825417329 609365976 /nfs/dbraw/zinc/36/59/76/609365976.db2.gz PYQFMZRZKLPPMU-UHFFFAOYSA-N -1 1 398.402 1.389 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C(=O)N[C@H]1CC=CCC1 ZINC000826458374 609366629 /nfs/dbraw/zinc/36/66/29/609366629.db2.gz NHLFVVYKQLQPSF-NSHDSACASA-N -1 1 396.386 1.355 20 0 GDADMM Cc1nc(CN(C)C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)no1 ZINC000826325706 609366726 /nfs/dbraw/zinc/36/67/26/609366726.db2.gz IVMVDFQKQGIDLT-UHFFFAOYSA-N -1 1 398.362 1.547 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)n1 ZINC000826356660 609381860 /nfs/dbraw/zinc/38/18/60/609381860.db2.gz ACAABZKOHXXOKD-LBPRGKRZSA-N -1 1 397.447 1.287 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)n1 ZINC000826356660 609381861 /nfs/dbraw/zinc/38/18/61/609381861.db2.gz ACAABZKOHXXOKD-LBPRGKRZSA-N -1 1 397.447 1.287 20 0 GDADMM CC[C@H]1C[C@@H](CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CCO1 ZINC000825183259 609416799 /nfs/dbraw/zinc/41/67/99/609416799.db2.gz OAVYUQHWUKALEA-RYUDHWBXSA-N -1 1 376.465 1.158 20 0 GDADMM CC[C@H]1C[C@@H](CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CCO1 ZINC000825183259 609416801 /nfs/dbraw/zinc/41/68/01/609416801.db2.gz OAVYUQHWUKALEA-RYUDHWBXSA-N -1 1 376.465 1.158 20 0 GDADMM CCOC(OCC)c1nnc(SCc2ccnc(-c3nnn[n-]3)c2)n1C ZINC000825576888 609422508 /nfs/dbraw/zinc/42/25/08/609422508.db2.gz PPNINAJQDPFCQQ-UHFFFAOYSA-N -1 1 376.446 1.754 20 0 GDADMM CCOC(OCC)c1nnc(SCc2ccnc(-c3nn[n-]n3)c2)n1C ZINC000825576888 609422510 /nfs/dbraw/zinc/42/25/10/609422510.db2.gz PPNINAJQDPFCQQ-UHFFFAOYSA-N -1 1 376.446 1.754 20 0 GDADMM Cc1onc(CC(=O)N2CCO[C@H](c3ccc(F)c(C)c3)C2)c1-c1nnn[n-]1 ZINC000826265918 609468947 /nfs/dbraw/zinc/46/89/47/609468947.db2.gz SZBUCOSUYVHSCJ-HNNXBMFYSA-N -1 1 386.387 1.753 20 0 GDADMM Cc1onc(CC(=O)N2CCO[C@H](c3ccc(F)c(C)c3)C2)c1-c1nn[n-]n1 ZINC000826265918 609468950 /nfs/dbraw/zinc/46/89/50/609468950.db2.gz SZBUCOSUYVHSCJ-HNNXBMFYSA-N -1 1 386.387 1.753 20 0 GDADMM Cc1onc(CC(=O)N2CCN(C(=O)C(C)(C)C)CC2(C)C)c1-c1nnn[n-]1 ZINC000826344500 609471189 /nfs/dbraw/zinc/47/11/89/609471189.db2.gz JWUJOTYAEIWNIW-UHFFFAOYSA-N -1 1 389.460 1.201 20 0 GDADMM Cc1onc(CC(=O)N2CCN(C(=O)C(C)(C)C)CC2(C)C)c1-c1nn[n-]n1 ZINC000826344500 609471190 /nfs/dbraw/zinc/47/11/90/609471190.db2.gz JWUJOTYAEIWNIW-UHFFFAOYSA-N -1 1 389.460 1.201 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCC([C@H]2CCOC2)CC1 ZINC000826495360 609611627 /nfs/dbraw/zinc/61/16/27/609611627.db2.gz MZPGQBJNPVMLRE-LBPRGKRZSA-N -1 1 381.433 1.443 20 0 GDADMM CC(C)OCCS(=O)(=O)[N-]c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000530897734 649984112 /nfs/dbraw/zinc/98/41/12/649984112.db2.gz SJMZPUNXGHPMDV-UHFFFAOYSA-N -1 1 376.500 1.638 20 0 GDADMM NS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c1 ZINC000534400441 650219644 /nfs/dbraw/zinc/21/96/44/650219644.db2.gz BGGJEGMZXLRSBP-UHFFFAOYSA-N -1 1 379.822 1.895 20 0 GDADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@H](C)CCO)c(OC)c1 ZINC000534900557 650234062 /nfs/dbraw/zinc/23/40/62/650234062.db2.gz MEPOKOYWGCDDTI-GFCCVEGCSA-N -1 1 394.515 1.144 20 0 GDADMM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H](CC(F)F)C(=O)OC)s1 ZINC000535619618 650251415 /nfs/dbraw/zinc/25/14/15/650251415.db2.gz DKRNQHHBRUONIO-ZCFIWIBFSA-N -1 1 387.382 1.018 20 0 GDADMM COC[C@@H](CCO)[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000536703921 650278677 /nfs/dbraw/zinc/27/86/77/650278677.db2.gz GWPNYBPDOGSAQI-ZCFIWIBFSA-N -1 1 378.697 1.840 20 0 GDADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c1 ZINC000537502587 650293725 /nfs/dbraw/zinc/29/37/25/650293725.db2.gz ZSAGTHZKTOUIIA-UHFFFAOYSA-N -1 1 377.300 1.411 20 0 GDADMM COc1ccc(NC(=O)C(=O)NC2CCSCC2)cc1[N-]S(C)(=O)=O ZINC000539172537 650329674 /nfs/dbraw/zinc/32/96/74/650329674.db2.gz LBPYXCUUZVFXMP-UHFFFAOYSA-N -1 1 387.483 1.017 20 0 GDADMM CSc1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)c1C ZINC000540474931 650359543 /nfs/dbraw/zinc/35/95/43/650359543.db2.gz OXSXIIMWQANWHO-UHFFFAOYSA-N -1 1 383.451 1.326 20 0 GDADMM Cc1cc(I)ccc1NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000541843780 650394072 /nfs/dbraw/zinc/39/40/72/650394072.db2.gz LCRPYKJXXWRHMR-UHFFFAOYSA-N -1 1 395.160 1.583 20 0 GDADMM CC[C@H](C)N(CC(=O)OC)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000543631900 650425013 /nfs/dbraw/zinc/42/50/13/650425013.db2.gz OHBSIHCIUZEUGX-JTQLQIEISA-N -1 1 396.462 1.159 20 0 GDADMM C[C@@H](CNC(=O)c1cc(=O)n2[n-]cnc2n1)Oc1ccccc1Br ZINC000543699984 650428424 /nfs/dbraw/zinc/42/84/24/650428424.db2.gz IJORVOXYZAXRGZ-VIFPVBQESA-N -1 1 392.213 1.377 20 0 GDADMM C[C@@H](CNS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1)CN1CCN(C)CC1 ZINC000544929839 650448277 /nfs/dbraw/zinc/44/82/77/650448277.db2.gz UINWQLPOCXLLRS-LBPRGKRZSA-N -1 1 389.905 1.200 20 0 GDADMM CC(C)(CNC(=O)c1cc(=O)n2[n-]cnc2n1)c1cccc(Br)c1 ZINC000546083838 650470343 /nfs/dbraw/zinc/47/03/43/650470343.db2.gz JHUQCBZMTQSLLX-UHFFFAOYSA-N -1 1 390.241 1.888 20 0 GDADMM O=S(=O)([N-]Cc1nnnn1CC1CC1)c1sccc1Br ZINC000546733870 650484230 /nfs/dbraw/zinc/48/42/30/650484230.db2.gz FVZROTPABZTTMR-UHFFFAOYSA-N -1 1 378.277 1.386 20 0 GDADMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)C[C@@H]1CCCC[C@@H]1C ZINC000547371937 650496776 /nfs/dbraw/zinc/49/67/76/650496776.db2.gz QGIBDPNATXAPKE-JQWIXIFHSA-N -1 1 375.516 1.768 20 0 GDADMM O=C(CNC(=O)c1ccc(Cl)cc1Cl)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000551925641 650615635 /nfs/dbraw/zinc/61/56/35/650615635.db2.gz XHADLKOYRBTYIW-SECBINFHSA-N -1 1 383.239 1.643 20 0 GDADMM O=S(=O)([N-]CC(F)(F)CO)c1cc(Br)cc2cccnc21 ZINC000553515246 650649827 /nfs/dbraw/zinc/64/98/27/650649827.db2.gz LASCLSSASKYZOR-UHFFFAOYSA-N -1 1 381.198 1.903 20 0 GDADMM COC(=O)c1cn(CC(=O)Nc2c([O-])cc(Br)cc2Cl)nn1 ZINC000554685189 650679299 /nfs/dbraw/zinc/67/92/99/650679299.db2.gz FHSBPUKHCZQHMK-UHFFFAOYSA-N -1 1 389.593 1.825 20 0 GDADMM Cn1cc(S(=O)(=O)[N-][C@@H]2CCN(CC(F)(F)F)C2)c(C(F)(F)F)n1 ZINC000555303304 650688769 /nfs/dbraw/zinc/68/87/69/650688769.db2.gz UEUTXEZFWJAFSG-SSDOTTSWSA-N -1 1 380.314 1.354 20 0 GDADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)cc(C(N)=O)c2OC)co1 ZINC000557201743 650720965 /nfs/dbraw/zinc/72/09/65/650720965.db2.gz RTSXCZLVTRQNQG-UHFFFAOYSA-N -1 1 387.801 1.201 20 0 GDADMM COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2cnc(NC(C)=O)s2)c1F ZINC000564061093 650746864 /nfs/dbraw/zinc/74/68/64/650746864.db2.gz NGVJCULFNOQIFD-UHFFFAOYSA-N -1 1 389.386 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945569514 /nfs/dbraw/zinc/56/95/14/945569514.db2.gz RZOQGLQTXYJQJX-SNVBAGLBSA-N -1 1 386.366 1.509 20 0 GDADMM Cc1nsc(N2CCC3(C[C@H]3NC(=O)c3cnco3)CC2)c1-c1nn[n-]n1 ZINC001571270090 945631453 /nfs/dbraw/zinc/63/14/53/945631453.db2.gz MVZHQQFYNNYYDP-LLVKDONJSA-N -1 1 386.441 1.409 20 0 GDADMM COc1ccsc1C(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571270063 945632023 /nfs/dbraw/zinc/63/20/23/945632023.db2.gz LYFVZTLCQMPTDL-MWLCHTKSSA-N -1 1 386.441 1.299 20 0 GDADMM COc1ccsc1C(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571270063 945632029 /nfs/dbraw/zinc/63/20/29/945632029.db2.gz LYFVZTLCQMPTDL-MWLCHTKSSA-N -1 1 386.441 1.299 20 0 GDADMM O=C(CC[C@H]1CCOC1)N1CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571272389 945661260 /nfs/dbraw/zinc/66/12/60/945661260.db2.gz CRLPWZHFLMUYBF-KBPBESRZSA-N -1 1 386.460 1.266 20 0 GDADMM O=C(CC[C@H]1CCOC1)N1CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571272389 945661265 /nfs/dbraw/zinc/66/12/65/945661265.db2.gz CRLPWZHFLMUYBF-KBPBESRZSA-N -1 1 386.460 1.266 20 0 GDADMM O=C(C[C@@H]1CCCCO1)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571272972 945676375 /nfs/dbraw/zinc/67/63/75/945676375.db2.gz MBCMNSRPNKYQMO-KBPBESRZSA-N -1 1 386.460 1.091 20 0 GDADMM O=C(C[C@@H]1CCCCO1)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571272972 945676380 /nfs/dbraw/zinc/67/63/80/945676380.db2.gz MBCMNSRPNKYQMO-KBPBESRZSA-N -1 1 386.460 1.091 20 0 GDADMM CCc1nc(NC[C@H]2CN(C(=O)C3(C)CCC3)CCO2)cc(-c2nnn[n-]2)n1 ZINC001571273087 945679874 /nfs/dbraw/zinc/67/98/74/945679874.db2.gz OTKNYFNDHMAYIB-LBPRGKRZSA-N -1 1 386.460 1.049 20 0 GDADMM CCc1nc(NC[C@H]2CN(C(=O)C3(C)CCC3)CCO2)cc(-c2nn[n-]n2)n1 ZINC001571273087 945679883 /nfs/dbraw/zinc/67/98/83/945679883.db2.gz OTKNYFNDHMAYIB-LBPRGKRZSA-N -1 1 386.460 1.049 20 0 GDADMM O=C(C[C@@H]1CCCCO1)N[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571273293 945683209 /nfs/dbraw/zinc/68/32/09/945683209.db2.gz UTXRMBUAPJUHOF-BFHYXJOUSA-N -1 1 386.460 1.455 20 0 GDADMM O=C(C[C@@H]1CCCCO1)N[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571273293 945683223 /nfs/dbraw/zinc/68/32/23/945683223.db2.gz UTXRMBUAPJUHOF-BFHYXJOUSA-N -1 1 386.460 1.455 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCN(C(=O)CC[C@@H]3CCOC3)C2)n1 ZINC001571273270 945683976 /nfs/dbraw/zinc/68/39/76/945683976.db2.gz UJCXRWXCUMLESF-ZIAGYGMSSA-N -1 1 386.460 1.185 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCN(C(=O)CC[C@@H]3CCOC3)C2)n1 ZINC001571273270 945683983 /nfs/dbraw/zinc/68/39/83/945683983.db2.gz UJCXRWXCUMLESF-ZIAGYGMSSA-N -1 1 386.460 1.185 20 0 GDADMM O=C(C1CCOCC1)N1CCC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571273483 945691046 /nfs/dbraw/zinc/69/10/46/945691046.db2.gz YEQNKBMODYHIEH-ZDUSSCGKSA-N -1 1 386.460 1.124 20 0 GDADMM O=C(C1CCOCC1)N1CCC[C@@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571273483 945691050 /nfs/dbraw/zinc/69/10/50/945691050.db2.gz YEQNKBMODYHIEH-ZDUSSCGKSA-N -1 1 386.460 1.124 20 0 GDADMM Cc1cc(NC(=O)NCc2cc(F)c(-c3nnn[n-]3)c(F)c2)cc(C(N)=O)c1 ZINC001571274427 945696528 /nfs/dbraw/zinc/69/65/28/945696528.db2.gz HBRLAYAQQKOMOF-UHFFFAOYSA-N -1 1 387.350 1.874 20 0 GDADMM Cc1cc(NC(=O)NCc2cc(F)c(-c3nn[n-]n3)c(F)c2)cc(C(N)=O)c1 ZINC001571274427 945696533 /nfs/dbraw/zinc/69/65/33/945696533.db2.gz HBRLAYAQQKOMOF-UHFFFAOYSA-N -1 1 387.350 1.874 20 0 GDADMM C[C@@H](C(=O)N1CCCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C1CCC1 ZINC001571277571 945743378 /nfs/dbraw/zinc/74/33/78/945743378.db2.gz LUFFAMRKFCCNNR-TZMCWYRMSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](C(=O)N1CCCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C1CCC1 ZINC001571277571 945743386 /nfs/dbraw/zinc/74/33/86/945743386.db2.gz LUFFAMRKFCCNNR-TZMCWYRMSA-N -1 1 386.460 1.122 20 0 GDADMM CS(=O)(=O)CCc1ccc(NC(=O)Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC001571279101 945770113 /nfs/dbraw/zinc/77/01/13/945770113.db2.gz IUXOCONKBQRNIW-UHFFFAOYSA-N -1 1 387.425 1.493 20 0 GDADMM CS(=O)(=O)CCc1ccc(NC(=O)Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC001571279101 945770123 /nfs/dbraw/zinc/77/01/23/945770123.db2.gz IUXOCONKBQRNIW-UHFFFAOYSA-N -1 1 387.425 1.493 20 0 GDADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CCN(C(=O)[C@H]2CCCCO2)CC1 ZINC001571279340 945775250 /nfs/dbraw/zinc/77/52/50/945775250.db2.gz VFKIJWCJZXYIDJ-SWLSCSKDSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CCN(C(=O)[C@H]2CCCCO2)CC1 ZINC001571279340 945775253 /nfs/dbraw/zinc/77/52/53/945775253.db2.gz VFKIJWCJZXYIDJ-SWLSCSKDSA-N -1 1 386.460 1.265 20 0 GDADMM CCOC1CC(C(=O)N2CC[C@@](C)(CNc3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571279692 945783811 /nfs/dbraw/zinc/78/38/11/945783811.db2.gz XYXFFUIKDXMIER-KJBLDROHSA-N -1 1 386.460 1.122 20 0 GDADMM CCOC1CC(C(=O)N2CC[C@@](C)(CNc3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571279692 945783818 /nfs/dbraw/zinc/78/38/18/945783818.db2.gz XYXFFUIKDXMIER-KJBLDROHSA-N -1 1 386.460 1.122 20 0 GDADMM CC[C@@H]1CCO[C@@H]1C(=O)NC1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571279633 945784773 /nfs/dbraw/zinc/78/47/73/945784773.db2.gz XDYNGKRGQVMHJN-OCLKLICZSA-N -1 1 386.460 1.311 20 0 GDADMM CC[C@@H]1CCO[C@@H]1C(=O)NC1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571279633 945784781 /nfs/dbraw/zinc/78/47/81/945784781.db2.gz XDYNGKRGQVMHJN-OCLKLICZSA-N -1 1 386.460 1.311 20 0 GDADMM COCCOC(=O)c1c(C)[nH]c(C(=O)Nc2ncc(-c3nnn[n-]3)s2)c1C ZINC000821691779 945820287 /nfs/dbraw/zinc/82/02/87/945820287.db2.gz DMISHMNGFBPQNI-UHFFFAOYSA-N -1 1 391.413 1.324 20 0 GDADMM COCCOC(=O)c1c(C)[nH]c(C(=O)Nc2ncc(-c3nn[n-]n3)s2)c1C ZINC000821691779 945820305 /nfs/dbraw/zinc/82/03/05/945820305.db2.gz DMISHMNGFBPQNI-UHFFFAOYSA-N -1 1 391.413 1.324 20 0 GDADMM CC1(C)CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1NC(=O)c1ccc(Cl)[nH]1 ZINC001571285200 945911293 /nfs/dbraw/zinc/91/12/93/945911293.db2.gz ZLHWZDBVTFUFPL-LLVKDONJSA-N -1 1 387.835 1.283 20 0 GDADMM CC1(C)CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1NC(=O)c1ccc(Cl)[nH]1 ZINC001571285200 945911302 /nfs/dbraw/zinc/91/13/02/945911302.db2.gz ZLHWZDBVTFUFPL-LLVKDONJSA-N -1 1 387.835 1.283 20 0 GDADMM Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC[C@](C)(O)C2)c1-c1nn[nH]n1 ZINC000822015477 945920040 /nfs/dbraw/zinc/92/00/40/945920040.db2.gz KIBWWLXCKXMAEG-IBGZPJMESA-N -1 1 387.488 1.795 20 0 GDADMM O=C(NC[C@H]1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cc(Cl)c[nH]1 ZINC001571285535 945920119 /nfs/dbraw/zinc/92/01/19/945920119.db2.gz HQWHLTLYDCVUQF-GXSJLCMTSA-N -1 1 387.835 1.649 20 0 GDADMM O=C(NC[C@H]1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cc(Cl)c[nH]1 ZINC001571285535 945920129 /nfs/dbraw/zinc/92/01/29/945920129.db2.gz HQWHLTLYDCVUQF-GXSJLCMTSA-N -1 1 387.835 1.649 20 0 GDADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@H](C)c1noc(COC(C)C)n1 ZINC001571285640 945922761 /nfs/dbraw/zinc/92/27/61/945922761.db2.gz KNQMJQRMLCAKAF-SECBINFHSA-N -1 1 388.388 1.075 20 0 GDADMM Cn1cc(Cl)cc1C(=O)NC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571285885 945929962 /nfs/dbraw/zinc/92/99/62/945929962.db2.gz QKXWYJSGOTYDRZ-LLVKDONJSA-N -1 1 387.835 1.047 20 0 GDADMM Cn1cc(Cl)cc1C(=O)NC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571285885 945929969 /nfs/dbraw/zinc/92/99/69/945929969.db2.gz QKXWYJSGOTYDRZ-LLVKDONJSA-N -1 1 387.835 1.047 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@@H]2C(=O)Nc2c[nH]nc2-c2nn[n-]n2)C1 ZINC001571286332 945945599 /nfs/dbraw/zinc/94/55/99/945945599.db2.gz FCFYJJSPQKYTCM-BMLIUANNSA-N -1 1 388.432 1.566 20 0 GDADMM C[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1CNC(=O)c1sccc1F ZINC001571286535 945950502 /nfs/dbraw/zinc/95/05/02/945950502.db2.gz KFXXCKRFOXUEPX-NXEZZACHSA-N -1 1 388.432 1.360 20 0 GDADMM C[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1CNC(=O)c1sccc1F ZINC001571286535 945950507 /nfs/dbraw/zinc/95/05/07/945950507.db2.gz KFXXCKRFOXUEPX-NXEZZACHSA-N -1 1 388.432 1.360 20 0 GDADMM CCN(C(=O)c1sccc1F)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571286610 945951955 /nfs/dbraw/zinc/95/19/55/945951955.db2.gz MHVLZOKJFWTVQA-JTQLQIEISA-N -1 1 388.432 1.598 20 0 GDADMM CCN(C(=O)c1sccc1F)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571286610 945951965 /nfs/dbraw/zinc/95/19/65/945951965.db2.gz MHVLZOKJFWTVQA-JTQLQIEISA-N -1 1 388.432 1.598 20 0 GDADMM O=C(N[C@@H]1Cc2ccccc2[C@H]1Nc1nccnc1-c1nnn[n-]1)C1=CCCC1 ZINC001571288370 945986814 /nfs/dbraw/zinc/98/68/14/945986814.db2.gz OUNPHKNSEAPKDU-HZPDHXFCSA-N -1 1 388.435 1.961 20 0 GDADMM O=C(N[C@@H]1Cc2ccccc2[C@H]1Nc1nccnc1-c1nn[n-]n1)C1=CCCC1 ZINC001571288370 945986818 /nfs/dbraw/zinc/98/68/18/945986818.db2.gz OUNPHKNSEAPKDU-HZPDHXFCSA-N -1 1 388.435 1.961 20 0 GDADMM CCc1nc(NC2CC3(CC(NC(=O)C(C)(C)F)C3)C2)cc(-c2nnn[n-]2)n1 ZINC001571289526 946008372 /nfs/dbraw/zinc/00/83/72/946008372.db2.gz GTUUVDXFMCUZNS-UHFFFAOYSA-N -1 1 388.451 1.807 20 0 GDADMM CCc1nc(NC2CC3(CC(NC(=O)C(C)(C)F)C3)C2)cc(-c2nn[n-]n2)n1 ZINC001571289526 946008382 /nfs/dbraw/zinc/00/83/82/946008382.db2.gz GTUUVDXFMCUZNS-UHFFFAOYSA-N -1 1 388.451 1.807 20 0 GDADMM Cc1nsc(NC[C@H]2CN(C(=O)c3ncoc3C)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571289670 946015277 /nfs/dbraw/zinc/01/52/77/946015277.db2.gz JROOSEYJKZTKFB-KCJUWKMLSA-N -1 1 388.457 1.748 20 0 GDADMM CCc1noc(C)c1C(=O)N1CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001571289787 946018718 /nfs/dbraw/zinc/01/87/18/946018718.db2.gz MNXVYWXTUNFLFG-UHFFFAOYSA-N -1 1 388.457 1.453 20 0 GDADMM CN(c1nccnc1-c1nnn[n-]1)C1CCN(C(=O)C2CCC(F)CC2)CC1 ZINC001571290288 946034507 /nfs/dbraw/zinc/03/45/07/946034507.db2.gz ZSDLEGYHKNCGHM-UHFFFAOYSA-N -1 1 388.451 1.612 20 0 GDADMM CN(c1nccnc1-c1nn[n-]n1)C1CCN(C(=O)C2CCC(F)CC2)CC1 ZINC001571290288 946034517 /nfs/dbraw/zinc/03/45/17/946034517.db2.gz ZSDLEGYHKNCGHM-UHFFFAOYSA-N -1 1 388.451 1.612 20 0 GDADMM Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)OCc1ccnc(-c3nnn[n-]3)c1)C2=O ZINC000822275568 946042132 /nfs/dbraw/zinc/04/21/32/946042132.db2.gz VQGOZBSTAHMCAM-NSHDSACASA-N -1 1 392.375 1.298 20 0 GDADMM Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)OCc1ccnc(-c3nn[n-]n3)c1)C2=O ZINC000822275568 946042147 /nfs/dbraw/zinc/04/21/47/946042147.db2.gz VQGOZBSTAHMCAM-NSHDSACASA-N -1 1 392.375 1.298 20 0 GDADMM Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)OCc1ccnc(-c3nnn[n-]3)c1)C2=O ZINC000822275567 946042777 /nfs/dbraw/zinc/04/27/77/946042777.db2.gz VQGOZBSTAHMCAM-LLVKDONJSA-N -1 1 392.375 1.298 20 0 GDADMM Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)OCc1ccnc(-c3nn[n-]n3)c1)C2=O ZINC000822275567 946042787 /nfs/dbraw/zinc/04/27/87/946042787.db2.gz VQGOZBSTAHMCAM-LLVKDONJSA-N -1 1 392.375 1.298 20 0 GDADMM O=C(N[C@@H]1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccc(Cl)o1 ZINC001571290542 946048482 /nfs/dbraw/zinc/04/84/82/946048482.db2.gz IKVSDDFTOMPLBC-NXEZZACHSA-N -1 1 388.819 1.478 20 0 GDADMM O=C(c1ccc(Cl)c(F)c1)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571290716 946054884 /nfs/dbraw/zinc/05/48/84/946054884.db2.gz NCPPPHVSPBCFLF-JTQLQIEISA-N -1 1 388.794 1.776 20 0 GDADMM O=C(c1ccc(Cl)c(F)c1)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571290716 946054897 /nfs/dbraw/zinc/05/48/97/946054897.db2.gz NCPPPHVSPBCFLF-JTQLQIEISA-N -1 1 388.794 1.776 20 0 GDADMM C[C@H]1CN(C(=O)c2occc2Cl)CC[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571290948 946062676 /nfs/dbraw/zinc/06/26/76/946062676.db2.gz VDVUXCMMFGPWRR-ONGXEEELSA-N -1 1 388.819 1.866 20 0 GDADMM C[C@H]1CN(C(=O)c2occc2Cl)CC[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571290948 946062691 /nfs/dbraw/zinc/06/26/91/946062691.db2.gz VDVUXCMMFGPWRR-ONGXEEELSA-N -1 1 388.819 1.866 20 0 GDADMM O=C(C1CC(F)(F)C1)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001571295144 946154410 /nfs/dbraw/zinc/15/44/10/946154410.db2.gz UXWZRAIJWLGBDN-TXEJJXNPSA-N -1 1 390.398 1.272 20 0 GDADMM O=C(C1CC(F)(F)C1)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001571295144 946154417 /nfs/dbraw/zinc/15/44/17/946154417.db2.gz UXWZRAIJWLGBDN-TXEJJXNPSA-N -1 1 390.398 1.272 20 0 GDADMM COc1cc(-c2nn[nH]n2)ccc1NC(=O)N[C@@H](CCSC)c1nn[n-]n1 ZINC001571295883 946176144 /nfs/dbraw/zinc/17/61/44/946176144.db2.gz INTVDYICIHWWOP-JTQLQIEISA-N -1 1 390.433 1.004 20 0 GDADMM CSc1cc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)c(C)o1 ZINC001571296493 946196090 /nfs/dbraw/zinc/19/60/90/946196090.db2.gz ZILUCCPEVNSPBT-UHFFFAOYSA-N -1 1 390.429 1.302 20 0 GDADMM CSc1cc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)c(C)o1 ZINC001571296493 946196096 /nfs/dbraw/zinc/19/60/96/946196096.db2.gz ZILUCCPEVNSPBT-UHFFFAOYSA-N -1 1 390.429 1.302 20 0 GDADMM Cc1nc(NCC2(NC(=O)OC(C)(C)C)CCOCC2)cc(-c2nnn[n-]2)n1 ZINC001571298336 946214650 /nfs/dbraw/zinc/21/46/50/946214650.db2.gz DQIHKIXTNCIVKL-UHFFFAOYSA-N -1 1 390.448 1.451 20 0 GDADMM Cc1nc(NCC2(NC(=O)OC(C)(C)C)CCOCC2)cc(-c2nn[n-]n2)n1 ZINC001571298336 946214656 /nfs/dbraw/zinc/21/46/56/946214656.db2.gz DQIHKIXTNCIVKL-UHFFFAOYSA-N -1 1 390.448 1.451 20 0 GDADMM CN(C(=O)[C@H]1C[C@@H]1c1ccccc1)C1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571298387 946217055 /nfs/dbraw/zinc/21/70/55/946217055.db2.gz FYCBWZLOQCQAGB-FJBKBRRZSA-N -1 1 390.451 1.862 20 0 GDADMM CN(C(=O)[C@H]1C[C@@H]1c1ccccc1)C1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571298387 946217063 /nfs/dbraw/zinc/21/70/63/946217063.db2.gz FYCBWZLOQCQAGB-FJBKBRRZSA-N -1 1 390.451 1.862 20 0 GDADMM O=C([C@@H]1CC12CCCC2)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000822916937 946218945 /nfs/dbraw/zinc/21/89/45/946218945.db2.gz IYZLUYPMYBCVDU-ZDUSSCGKSA-N -1 1 383.456 1.961 20 0 GDADMM Cc1cccc([C@@H](C)C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)c1 ZINC001571298685 946224066 /nfs/dbraw/zinc/22/40/66/946224066.db2.gz JEWGDYAMNQSEDF-TXPWEPMLSA-N -1 1 390.451 1.320 20 0 GDADMM Cc1cccc([C@@H](C)C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]32)c1 ZINC001571298685 946224081 /nfs/dbraw/zinc/22/40/81/946224081.db2.gz JEWGDYAMNQSEDF-TXPWEPMLSA-N -1 1 390.451 1.320 20 0 GDADMM O=C(NC[C@@H]1[C@H]2CN(c3nc(Cl)c(-c4nnn[n-]4)s3)C[C@H]21)c1ccc[nH]1 ZINC001571298776 946227751 /nfs/dbraw/zinc/22/77/51/946227751.db2.gz DJCGBVUGBWDPJB-PSVAKVPMSA-N -1 1 390.860 1.417 20 0 GDADMM O=C(NC[C@@H]1[C@H]2CN(c3nc(Cl)c(-c4nn[n-]n4)s3)C[C@H]21)c1ccc[nH]1 ZINC001571298776 946227763 /nfs/dbraw/zinc/22/77/63/946227763.db2.gz DJCGBVUGBWDPJB-PSVAKVPMSA-N -1 1 390.860 1.417 20 0 GDADMM Cc1nsc(N2CCC[C@H](NC(=O)c3ccsn3)CC2)c1-c1nn[n-]n1 ZINC001571298942 946234974 /nfs/dbraw/zinc/23/49/74/946234974.db2.gz RYNNRYJCNOEZSD-JTQLQIEISA-N -1 1 390.498 1.877 20 0 GDADMM CN(C(=O)c1cscc1Cl)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571299130 946240830 /nfs/dbraw/zinc/24/08/30/946240830.db2.gz IXLRBSIPCZHEKT-VIFPVBQESA-N -1 1 390.860 1.723 20 0 GDADMM CN(C(=O)c1cscc1Cl)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571299130 946240839 /nfs/dbraw/zinc/24/08/39/946240839.db2.gz IXLRBSIPCZHEKT-VIFPVBQESA-N -1 1 390.860 1.723 20 0 GDADMM Cc1nsc(N2C[C@@H](NC(=O)c3nccs3)C(C)(C)C2)c1-c1nn[n-]n1 ZINC001571299291 946245235 /nfs/dbraw/zinc/24/52/35/946245235.db2.gz VRHVGCWMIMNZCJ-SECBINFHSA-N -1 1 390.498 1.733 20 0 GDADMM O=C(NCC1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cscc1Cl ZINC001571299315 946247039 /nfs/dbraw/zinc/24/70/39/946247039.db2.gz KJWLCOBDFIUQSU-UHFFFAOYSA-N -1 1 390.860 1.992 20 0 GDADMM O=C(NCC1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cscc1Cl ZINC001571299315 946247047 /nfs/dbraw/zinc/24/70/47/946247047.db2.gz KJWLCOBDFIUQSU-UHFFFAOYSA-N -1 1 390.860 1.992 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2cccc3c2CCC3)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571299468 946250930 /nfs/dbraw/zinc/25/09/30/946250930.db2.gz RZGCNTYRAPLNJW-WBMJQRKESA-N -1 1 390.451 1.543 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2cccc3c2CCC3)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571299468 946250940 /nfs/dbraw/zinc/25/09/40/946250940.db2.gz RZGCNTYRAPLNJW-WBMJQRKESA-N -1 1 390.451 1.543 20 0 GDADMM Cc1ccccc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571299472 946251132 /nfs/dbraw/zinc/25/11/32/946251132.db2.gz SAWPMANBBXIXPI-OIISXLGYSA-N -1 1 390.451 1.434 20 0 GDADMM Cc1ccccc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571299472 946251145 /nfs/dbraw/zinc/25/11/45/946251145.db2.gz SAWPMANBBXIXPI-OIISXLGYSA-N -1 1 390.451 1.434 20 0 GDADMM Cc1nsc(N(C)C2CCN(C(=O)c3nccs3)CC2)c1-c1nn[n-]n1 ZINC001571299579 946253859 /nfs/dbraw/zinc/25/38/59/946253859.db2.gz XQKOUSWMTKSOQV-UHFFFAOYSA-N -1 1 390.498 1.829 20 0 GDADMM Cc1nsc(N2C[C@H](NC(=O)c3cscn3)CC[C@H]2C)c1-c1nn[n-]n1 ZINC001571299575 946254329 /nfs/dbraw/zinc/25/43/29/946254329.db2.gz XQFQEEPOKAPGDG-PSASIEDQSA-N -1 1 390.498 1.875 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)c2c1CCC2 ZINC001571299775 946260787 /nfs/dbraw/zinc/26/07/87/946260787.db2.gz UMCJRGCECNXPKV-CYBMUJFWSA-N -1 1 390.451 1.463 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)c2c1CCC2 ZINC001571299775 946260796 /nfs/dbraw/zinc/26/07/96/946260796.db2.gz UMCJRGCECNXPKV-CYBMUJFWSA-N -1 1 390.451 1.463 20 0 GDADMM Cc1nsc(N2CCC(CNC(=O)c3cc(F)c[nH]3)CC2)c1-c1nn[n-]n1 ZINC001571299843 946263502 /nfs/dbraw/zinc/26/35/02/946263502.db2.gz WMCVOHSXQCPKPK-UHFFFAOYSA-N -1 1 390.448 1.745 20 0 GDADMM Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571300037 946269905 /nfs/dbraw/zinc/26/99/05/946269905.db2.gz YVXAZARQNHNLHA-OWCLPIDISA-N -1 1 390.451 1.464 20 0 GDADMM Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571300037 946269915 /nfs/dbraw/zinc/26/99/15/946269915.db2.gz YVXAZARQNHNLHA-OWCLPIDISA-N -1 1 390.451 1.464 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)NCCN1CCc2ccccc21 ZINC000823027525 946280897 /nfs/dbraw/zinc/28/08/97/946280897.db2.gz VRAOJHPKPQOIIW-UHFFFAOYSA-N -1 1 398.448 1.264 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)NCCN1CCc2ccccc21 ZINC000823027525 946280907 /nfs/dbraw/zinc/28/09/07/946280907.db2.gz VRAOJHPKPQOIIW-UHFFFAOYSA-N -1 1 398.448 1.264 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C23CCC3)cn1 ZINC001571302849 946316762 /nfs/dbraw/zinc/31/67/62/946316762.db2.gz HREALZQJIQHZJN-CABCVRRESA-N -1 1 391.439 1.513 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C23CCC3)cn1 ZINC001571302849 946316776 /nfs/dbraw/zinc/31/67/76/946316776.db2.gz HREALZQJIQHZJN-CABCVRRESA-N -1 1 391.439 1.513 20 0 GDADMM Cc1cncc(C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C23CCC3)c1 ZINC001571302893 946319146 /nfs/dbraw/zinc/31/91/46/946319146.db2.gz IODWGDAAICDCPA-CABCVRRESA-N -1 1 391.439 1.513 20 0 GDADMM Cc1cncc(C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C23CCC3)c1 ZINC001571302893 946319154 /nfs/dbraw/zinc/31/91/54/946319154.db2.gz IODWGDAAICDCPA-CABCVRRESA-N -1 1 391.439 1.513 20 0 GDADMM CC(=O)N[C@@H]1C[C@@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)Oc2ccccc21 ZINC001573496234 946321688 /nfs/dbraw/zinc/32/16/88/946321688.db2.gz XPPRGNSLQNYNOG-AUUYWEPGSA-N -1 1 392.423 1.266 20 0 GDADMM CC(=O)N[C@@H]1C[C@@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)Oc2ccccc21 ZINC001573496234 946321698 /nfs/dbraw/zinc/32/16/98/946321698.db2.gz XPPRGNSLQNYNOG-AUUYWEPGSA-N -1 1 392.423 1.266 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC2CC3(CC(NC(=O)c4ccccn4)C3)C2)n1 ZINC001571303090 946324307 /nfs/dbraw/zinc/32/43/07/946324307.db2.gz LAZXPIBQEWRBFV-UHFFFAOYSA-N -1 1 391.439 1.513 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC2CC3(CC(NC(=O)c4ccccn4)C3)C2)n1 ZINC001571303090 946324313 /nfs/dbraw/zinc/32/43/13/946324313.db2.gz LAZXPIBQEWRBFV-UHFFFAOYSA-N -1 1 391.439 1.513 20 0 GDADMM O=C(N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)C1(c2ccccn2)CC1 ZINC001571303357 946333933 /nfs/dbraw/zinc/33/39/33/946333933.db2.gz PCDCDOGADOGGAI-CYBMUJFWSA-N -1 1 391.439 1.186 20 0 GDADMM O=C(N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)C1(c2ccccn2)CC1 ZINC001571303357 946333942 /nfs/dbraw/zinc/33/39/42/946333942.db2.gz PCDCDOGADOGGAI-CYBMUJFWSA-N -1 1 391.439 1.186 20 0 GDADMM Cc1cnccc1C(=O)N[C@]12CCC[C@@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001571303840 946349679 /nfs/dbraw/zinc/34/96/79/946349679.db2.gz ZCPPWQWTGXHICN-KXBFYZLASA-N -1 1 391.439 1.292 20 0 GDADMM Cc1cnccc1C(=O)N[C@]12CCC[C@@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001571303840 946349692 /nfs/dbraw/zinc/34/96/92/946349692.db2.gz ZCPPWQWTGXHICN-KXBFYZLASA-N -1 1 391.439 1.292 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1nc(Cl)cs1 ZINC001571305478 946364524 /nfs/dbraw/zinc/36/45/24/946364524.db2.gz CEJFZFUAMVKPHE-MRVPVSSYSA-N -1 1 391.848 1.165 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CCN(c3nc(Cl)c(-c4nnn[n-]4)s3)C2)ncn1 ZINC001571305863 946378572 /nfs/dbraw/zinc/37/85/72/946378572.db2.gz MECORHRNVUXALO-QMMMGPOBSA-N -1 1 391.848 1.084 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CCN(c3nc(Cl)c(-c4nn[n-]n4)s3)C2)ncn1 ZINC001571305863 946378585 /nfs/dbraw/zinc/37/85/85/946378585.db2.gz MECORHRNVUXALO-QMMMGPOBSA-N -1 1 391.848 1.084 20 0 GDADMM Cc1nsc(N[C@@]2(CO)CCCN(C(=O)[C@H]3CC3(C)C)C2)c1-c1nn[n-]n1 ZINC001571305881 946378615 /nfs/dbraw/zinc/37/86/15/946378615.db2.gz MVSTWHCLGVUEKW-DIFFPNOSSA-N -1 1 391.501 1.443 20 0 GDADMM CN(c1snc(Cl)c1-c1nnn[n-]1)[C@@H]1CCN(C(=O)c2ccnnc2)C1 ZINC001571306531 946402996 /nfs/dbraw/zinc/40/29/96/946402996.db2.gz WWYKIFMQUXECCO-SECBINFHSA-N -1 1 391.848 1.118 20 0 GDADMM CN(c1snc(Cl)c1-c1nn[n-]n1)[C@@H]1CCN(C(=O)c2ccnnc2)C1 ZINC001571306531 946403004 /nfs/dbraw/zinc/40/30/04/946403004.db2.gz WWYKIFMQUXECCO-SECBINFHSA-N -1 1 391.848 1.118 20 0 GDADMM C[C@H]1CN(C(=O)C2CC(F)(F)C2)CC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571308052 946429408 /nfs/dbraw/zinc/42/94/08/946429408.db2.gz KSOVDWJNUSKPHH-QWRGUYRKSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H]1CN(C(=O)C2CC(F)(F)C2)CC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571308052 946429414 /nfs/dbraw/zinc/42/94/14/946429414.db2.gz KSOVDWJNUSKPHH-QWRGUYRKSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H]1CN(C(=O)C2CCC(F)(F)CC2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571308540 946433056 /nfs/dbraw/zinc/43/30/56/946433056.db2.gz QHCLWSLNQYNPFA-ZYHUDNBSSA-N -1 1 392.414 1.163 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@H](C)N(C(=O)CC3CC(F)(F)C3)C2)n1 ZINC001571308391 946434114 /nfs/dbraw/zinc/43/41/14/946434114.db2.gz PMYSCZFGCIODOX-JQWIXIFHSA-N -1 1 392.414 1.802 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@H](C)N(C(=O)CC3CC(F)(F)C3)C2)n1 ZINC001571308391 946434122 /nfs/dbraw/zinc/43/41/22/946434122.db2.gz PMYSCZFGCIODOX-JQWIXIFHSA-N -1 1 392.414 1.802 20 0 GDADMM CN(C(=O)C[C@H]1CCCC1(F)F)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571308723 946435849 /nfs/dbraw/zinc/43/58/49/946435849.db2.gz SMQLLIKOCNZZEH-NEPJUHHUSA-N -1 1 392.414 1.519 20 0 GDADMM CN(C(=O)C[C@H]1CCCC1(F)F)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571308723 946435855 /nfs/dbraw/zinc/43/58/55/946435855.db2.gz SMQLLIKOCNZZEH-NEPJUHHUSA-N -1 1 392.414 1.519 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCC[C@@H]2NC(=O)C2CC(F)(F)C2)n1 ZINC001571308881 946437843 /nfs/dbraw/zinc/43/78/43/946437843.db2.gz UIBTZIZLKGTJRB-PWSUYJOCSA-N -1 1 392.414 1.707 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCC[C@@H]2NC(=O)C2CC(F)(F)C2)n1 ZINC001571308881 946437851 /nfs/dbraw/zinc/43/78/51/946437851.db2.gz UIBTZIZLKGTJRB-PWSUYJOCSA-N -1 1 392.414 1.707 20 0 GDADMM CC(C)(C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)C(F)F ZINC001571309027 946439701 /nfs/dbraw/zinc/43/97/01/946439701.db2.gz WBLUBJKDBKNVJT-MNOVXSKESA-N -1 1 392.414 1.518 20 0 GDADMM C[C@@H]1Cc2cccc(C(=O)N[C@H]3C[C@H](Nc4cncc(-c5nnn[n-]5)n4)C3)c2O1 ZINC001571309620 946448747 /nfs/dbraw/zinc/44/87/47/946448747.db2.gz FVIZMSIIMIFNRB-RAIGVLPGSA-N -1 1 392.423 1.353 20 0 GDADMM C[C@@H]1Cc2cccc(C(=O)N[C@H]3C[C@H](Nc4cncc(-c5nn[n-]n5)n4)C3)c2O1 ZINC001571309620 946448752 /nfs/dbraw/zinc/44/87/52/946448752.db2.gz FVIZMSIIMIFNRB-RAIGVLPGSA-N -1 1 392.423 1.353 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccc2c(c1)CCO2 ZINC001571309624 946449604 /nfs/dbraw/zinc/44/96/04/946449604.db2.gz FVKZWIKCWGYUNM-FZMZJTMJSA-N -1 1 392.423 1.307 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccc2c(c1)CCO2 ZINC001571309624 946449616 /nfs/dbraw/zinc/44/96/16/946449616.db2.gz FVKZWIKCWGYUNM-FZMZJTMJSA-N -1 1 392.423 1.307 20 0 GDADMM O=C(C[C@@H]1CCCC1(F)F)N[C@H]1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571309937 946457978 /nfs/dbraw/zinc/45/79/78/946457978.db2.gz PWDHXMVSAWQRJT-SRVKXCTJSA-N -1 1 392.414 1.789 20 0 GDADMM O=C(C[C@@H]1CCCC1(F)F)N[C@H]1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571309937 946457986 /nfs/dbraw/zinc/45/79/86/946457986.db2.gz PWDHXMVSAWQRJT-SRVKXCTJSA-N -1 1 392.414 1.789 20 0 GDADMM O=C(CC1CC(F)(F)C1)N[C@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571310126 946464232 /nfs/dbraw/zinc/46/42/32/946464232.db2.gz VYMGCUQXGOSMIS-RYUDHWBXSA-N -1 1 392.414 1.931 20 0 GDADMM O=C(CC1CC(F)(F)C1)N[C@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571310126 946464238 /nfs/dbraw/zinc/46/42/38/946464238.db2.gz VYMGCUQXGOSMIS-RYUDHWBXSA-N -1 1 392.414 1.931 20 0 GDADMM O=C(NC[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)[C@@H]1CCC(F)(F)C1 ZINC001571310231 946466754 /nfs/dbraw/zinc/46/67/54/946466754.db2.gz ZDFVMLQONOAGFU-NWDGAFQWSA-N -1 1 392.414 1.425 20 0 GDADMM O=C(NC[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)[C@@H]1CCC(F)(F)C1 ZINC001571310231 946466760 /nfs/dbraw/zinc/46/67/60/946466760.db2.gz ZDFVMLQONOAGFU-NWDGAFQWSA-N -1 1 392.414 1.425 20 0 GDADMM CC(C)(C)c1cccc(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571310280 946467023 /nfs/dbraw/zinc/46/70/23/946467023.db2.gz AJTIDMHKXNROQI-OAHLLOKOSA-N -1 1 392.467 1.963 20 0 GDADMM CC(C)(C)c1cccc(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571310280 946467030 /nfs/dbraw/zinc/46/70/30/946467030.db2.gz AJTIDMHKXNROQI-OAHLLOKOSA-N -1 1 392.467 1.963 20 0 GDADMM CCc1ccccc1CC(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571312761 946500067 /nfs/dbraw/zinc/50/00/67/946500067.db2.gz CRBQAIXGUVKHLB-INIZCTEOSA-N -1 1 392.467 1.865 20 0 GDADMM CCc1ccccc1CC(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571312761 946500079 /nfs/dbraw/zinc/50/00/79/946500079.db2.gz CRBQAIXGUVKHLB-INIZCTEOSA-N -1 1 392.467 1.865 20 0 GDADMM CN(C(=O)c1cncnc1C1CC1)C1CC(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571313126 946513332 /nfs/dbraw/zinc/51/33/32/946513332.db2.gz OMQVTUDHHQDORL-UHFFFAOYSA-N -1 1 392.427 1.039 20 0 GDADMM CN(C(=O)c1cncnc1C1CC1)C1CC(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571313126 946513335 /nfs/dbraw/zinc/51/33/35/946513335.db2.gz OMQVTUDHHQDORL-UHFFFAOYSA-N -1 1 392.427 1.039 20 0 GDADMM CCc1ccc([C@H](C)C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571313852 946534416 /nfs/dbraw/zinc/53/44/16/946534416.db2.gz XEDDVIQLYRWLMO-BBRMVZONSA-N -1 1 392.467 1.718 20 0 GDADMM O=C(c1ccnc(C2CC2)n1)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571313826 946535309 /nfs/dbraw/zinc/53/53/09/946535309.db2.gz WIDNSJCZOGHPDC-LBPRGKRZSA-N -1 1 392.427 1.041 20 0 GDADMM O=C(c1ccnc(C2CC2)n1)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571313826 946535313 /nfs/dbraw/zinc/53/53/13/946535313.db2.gz WIDNSJCZOGHPDC-LBPRGKRZSA-N -1 1 392.427 1.041 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](NC(=O)Cc3ccccc3)C(C)(C)C2)n1 ZINC001571314939 946548465 /nfs/dbraw/zinc/54/84/65/946548465.db2.gz DVXGNHWFKSMMLA-MRXNPFEDSA-N -1 1 392.467 1.539 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](NC(=O)Cc3ccccc3)C(C)(C)C2)n1 ZINC001571314939 946548480 /nfs/dbraw/zinc/54/84/80/946548480.db2.gz DVXGNHWFKSMMLA-MRXNPFEDSA-N -1 1 392.467 1.539 20 0 GDADMM Cc1ccc(C)c(CC(=O)N2C[C@H](C)[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571315246 946549892 /nfs/dbraw/zinc/54/98/92/946549892.db2.gz IAINLEWFIFWHOX-WMLDXEAASA-N -1 1 392.467 1.775 20 0 GDADMM Cc1ccc(C)c(CC(=O)N2C[C@H](C)[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571315246 946549908 /nfs/dbraw/zinc/54/99/08/946549908.db2.gz IAINLEWFIFWHOX-WMLDXEAASA-N -1 1 392.467 1.775 20 0 GDADMM Cc1ccc(CC(=O)N2CCCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001571316184 946568970 /nfs/dbraw/zinc/56/89/70/946568970.db2.gz VSXUWQAJORVOFP-MRXNPFEDSA-N -1 1 392.467 1.423 20 0 GDADMM Cc1ccc(CC(=O)NC2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)cc1C ZINC001571316187 946569919 /nfs/dbraw/zinc/56/99/19/946569919.db2.gz VXVXEWRVCDGAFJ-UHFFFAOYSA-N -1 1 392.467 1.601 20 0 GDADMM Cc1ccc(CC(=O)NC2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)cc1C ZINC001571316187 946569931 /nfs/dbraw/zinc/56/99/31/946569931.db2.gz VXVXEWRVCDGAFJ-UHFFFAOYSA-N -1 1 392.467 1.601 20 0 GDADMM O=C(c1ncccc1[O-])N1CC[C@@H](Nc2nc(Cl)c(-c3nn[nH]n3)s2)C1 ZINC001571317414 946609455 /nfs/dbraw/zinc/60/94/55/946609455.db2.gz HCJQMXSJWLEQCK-SSDOTTSWSA-N -1 1 392.832 1.404 20 0 GDADMM CS(=O)(=O)c1c(Cl)cccc1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001571317699 946619183 /nfs/dbraw/zinc/61/91/83/946619183.db2.gz RLXIAGBZUXIUTB-UHFFFAOYSA-N -1 1 392.828 1.500 20 0 GDADMM CS(=O)(=O)c1c(Cl)cccc1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001571317699 946619188 /nfs/dbraw/zinc/61/91/88/946619188.db2.gz RLXIAGBZUXIUTB-UHFFFAOYSA-N -1 1 392.828 1.500 20 0 GDADMM CN(c1nc(-c2nn[n-]n2)c(Cl)s1)[C@@H]1CCN(C(=O)c2ccn(C)c2)C1 ZINC001571317834 946621598 /nfs/dbraw/zinc/62/15/98/946621598.db2.gz WTKCUVHINAPMOH-SNVBAGLBSA-N -1 1 392.876 1.666 20 0 GDADMM CC(=O)Nc1nc(C(=O)Nc2ncc3c(c2-c2nn[n-]n2)COCC3)cs1 ZINC001573548062 946846341 /nfs/dbraw/zinc/84/63/41/946846341.db2.gz CJVBRHUKRXUZOT-UHFFFAOYSA-N -1 1 386.397 1.002 20 0 GDADMM CC(=O)Nc1cccc(NC(=O)Cn2c3c(cc(-c4nn[n-]n4)c2=O)CCC3)c1 ZINC001573548214 946850497 /nfs/dbraw/zinc/85/04/97/946850497.db2.gz GMCCQEAYSBJIBP-UHFFFAOYSA-N -1 1 393.407 1.114 20 0 GDADMM CC[C@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)c1nnc2n1CCCCC2 ZINC000825133164 947092708 /nfs/dbraw/zinc/09/27/08/947092708.db2.gz KMOYRKRTMHITOZ-NSHDSACASA-N -1 1 385.432 1.291 20 0 GDADMM CC[C@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)c1nnc2n1CCCCC2 ZINC000825133164 947092716 /nfs/dbraw/zinc/09/27/16/947092716.db2.gz KMOYRKRTMHITOZ-NSHDSACASA-N -1 1 385.432 1.291 20 0 GDADMM CCOC(=O)c1cnn(Cc2nc(-c3ccc(F)cc3)no2)c1-c1nn[n-]n1 ZINC000825570044 947228582 /nfs/dbraw/zinc/22/85/82/947228582.db2.gz DVVVUBLZGBPTOX-UHFFFAOYSA-N -1 1 384.331 1.477 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)Nc2ccc(F)cc2Cl)c1-c1nn[n-]n1 ZINC000825569832 947229156 /nfs/dbraw/zinc/22/91/56/947229156.db2.gz AKRBHWYSTSMTTE-UHFFFAOYSA-N -1 1 393.766 1.671 20 0 GDADMM C=C/C(C)=C\CC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001573317356 947297610 /nfs/dbraw/zinc/29/76/10/947297610.db2.gz NYQXNGFYFBUEDC-SGCSTNKXSA-N -1 1 380.456 1.749 20 0 GDADMM C=C/C(C)=C\CC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001573317356 947297620 /nfs/dbraw/zinc/29/76/20/947297620.db2.gz NYQXNGFYFBUEDC-SGCSTNKXSA-N -1 1 380.456 1.749 20 0 GDADMM CCc1cnccc1C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000825733679 947302885 /nfs/dbraw/zinc/30/28/85/947302885.db2.gz IHNUGGFMNPXSLR-UHFFFAOYSA-N -1 1 394.439 1.652 20 0 GDADMM C=C/C(C)=C/CC(=O)N[C@]12CCC[C@@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001573319281 947329916 /nfs/dbraw/zinc/32/99/16/947329916.db2.gz VKLCHRZTSHETPZ-NOSWITRQSA-N -1 1 380.456 1.797 20 0 GDADMM C=C/C(C)=C/CC(=O)N[C@]12CCC[C@@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001573319281 947329929 /nfs/dbraw/zinc/32/99/29/947329929.db2.gz VKLCHRZTSHETPZ-NOSWITRQSA-N -1 1 380.456 1.797 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CCOc1cccc(F)c1 ZINC000825923858 947376347 /nfs/dbraw/zinc/37/63/47/947376347.db2.gz ZCHRKEIEQJTFSL-UHFFFAOYSA-N -1 1 388.407 1.171 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CCOc1cccc(F)c1 ZINC000825923858 947376358 /nfs/dbraw/zinc/37/63/58/947376358.db2.gz ZCHRKEIEQJTFSL-UHFFFAOYSA-N -1 1 388.407 1.171 20 0 GDADMM C[C@@H](C(=O)N(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)c1ccco1 ZINC001573593932 947382825 /nfs/dbraw/zinc/38/28/25/947382825.db2.gz NGXKFLXHBXMTBE-RISCZKNCSA-N -1 1 382.428 1.702 20 0 GDADMM C[C@@H](C(=O)N(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)c1ccco1 ZINC001573593932 947382835 /nfs/dbraw/zinc/38/28/35/947382835.db2.gz NGXKFLXHBXMTBE-RISCZKNCSA-N -1 1 382.428 1.702 20 0 GDADMM C[C@H](C(=O)N(C)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cccs1 ZINC001573594337 947391389 /nfs/dbraw/zinc/39/13/89/947391389.db2.gz XZOSCSIBMHIARL-RYUDHWBXSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@H](C(=O)N(C)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cccs1 ZINC001573594337 947391402 /nfs/dbraw/zinc/39/14/02/947391402.db2.gz XZOSCSIBMHIARL-RYUDHWBXSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@H](C(=O)N(C)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cccs1 ZINC001573594335 947393219 /nfs/dbraw/zinc/39/32/19/947393219.db2.gz XZOSCSIBMHIARL-NWDGAFQWSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@H](C(=O)N(C)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cccs1 ZINC001573594335 947393232 /nfs/dbraw/zinc/39/32/32/947393232.db2.gz XZOSCSIBMHIARL-NWDGAFQWSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@H](C(=O)N(C)C1CC(Nc2nccnc2-c2nnn[n-]2)C1)c1cccs1 ZINC001573594540 947397781 /nfs/dbraw/zinc/39/77/81/947397781.db2.gz PWMXLHCTWAHGDI-UNXYVOJBSA-N -1 1 384.469 1.923 20 0 GDADMM C[C@H](C(=O)N(C)C1CC(Nc2nccnc2-c2nn[n-]n2)C1)c1cccs1 ZINC001573594540 947397796 /nfs/dbraw/zinc/39/77/96/947397796.db2.gz PWMXLHCTWAHGDI-UNXYVOJBSA-N -1 1 384.469 1.923 20 0 GDADMM C[C@H](C(=O)N(C)CCCN(C)c1nccnc1-c1nnn[n-]1)c1cccnc1 ZINC001573595547 947422610 /nfs/dbraw/zinc/42/26/10/947422610.db2.gz GNGAQLSOVMMVRV-ZDUSSCGKSA-N -1 1 381.444 1.140 20 0 GDADMM C[C@H](C(=O)N(C)CCCN(C)c1nccnc1-c1nn[n-]n1)c1cccnc1 ZINC001573595547 947422617 /nfs/dbraw/zinc/42/26/17/947422617.db2.gz GNGAQLSOVMMVRV-ZDUSSCGKSA-N -1 1 381.444 1.140 20 0 GDADMM C[C@@H](C(=O)N(C)C[C@H](O)CNc1nc(-c2nn[n-]n2)c(Cl)s1)C1CC1 ZINC001573599583 947458150 /nfs/dbraw/zinc/45/81/50/947458150.db2.gz YHUQXISJJKHKFE-VXNVDRBHSA-N -1 1 385.881 1.254 20 0 GDADMM C[C@H](C(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1)c1c(F)cccc1F ZINC001573605347 947530197 /nfs/dbraw/zinc/53/01/97/947530197.db2.gz WOQVWWRYDMSCDP-JTQLQIEISA-N -1 1 388.382 1.609 20 0 GDADMM C[C@H](C(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1)c1c(F)cccc1F ZINC001573605347 947530204 /nfs/dbraw/zinc/53/02/04/947530204.db2.gz WOQVWWRYDMSCDP-JTQLQIEISA-N -1 1 388.382 1.609 20 0 GDADMM C[C@@H](C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1)c1ccc(F)cc1F ZINC001573605786 947534168 /nfs/dbraw/zinc/53/41/68/947534168.db2.gz ZTDSPHWTJBFHEZ-SNVBAGLBSA-N -1 1 388.382 1.609 20 0 GDADMM C[C@@H](C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1)c1ccc(F)cc1F ZINC001573605786 947534178 /nfs/dbraw/zinc/53/41/78/947534178.db2.gz ZTDSPHWTJBFHEZ-SNVBAGLBSA-N -1 1 388.382 1.609 20 0 GDADMM C[C@@H](C(=O)N(CCO)CCNc1nc(Cl)c(-c2nnn[n-]2)s1)C1CC1 ZINC001573606929 947535306 /nfs/dbraw/zinc/53/53/06/947535306.db2.gz ASSOYGCJHCPBDD-MRVPVSSYSA-N -1 1 385.881 1.256 20 0 GDADMM C[C@@H](C(=O)N(CCO)CCNc1nc(Cl)c(-c2nn[n-]n2)s1)C1CC1 ZINC001573606929 947535311 /nfs/dbraw/zinc/53/53/11/947535311.db2.gz ASSOYGCJHCPBDD-MRVPVSSYSA-N -1 1 385.881 1.256 20 0 GDADMM C[C@H](C(=O)N1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C(C)(C)C1)C(F)(F)F ZINC001573613682 947569310 /nfs/dbraw/zinc/56/93/10/947569310.db2.gz GOSCIFRANWWTFA-SCZZXKLOSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@H](C(=O)N1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C(C)(C)C1)C(F)(F)F ZINC001573613682 947569318 /nfs/dbraw/zinc/56/93/18/947569318.db2.gz GOSCIFRANWWTFA-SCZZXKLOSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)(C)C1)C(C)(F)F ZINC001573613830 947571073 /nfs/dbraw/zinc/57/10/73/947571073.db2.gz JNLXFBYJJJHBDP-NXEZZACHSA-N -1 1 380.403 1.019 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CN(C)c2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001573614203 947581223 /nfs/dbraw/zinc/58/12/23/947581223.db2.gz DAHLTJCSDMSBKR-KBPBESRZSA-N -1 1 381.444 1.004 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573614332 947582900 /nfs/dbraw/zinc/58/29/00/947582900.db2.gz LYYBWZLTRPCEQA-MCIONIFRSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@@H](C(=O)N1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C(C)(C)C1)C(C)(F)F ZINC001573614584 947588678 /nfs/dbraw/zinc/58/86/78/947588678.db2.gz MYJMGCAYYPZRCK-ONGXEEELSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@@H](C(=O)N1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C(C)(C)C1)C(C)(F)F ZINC001573614584 947588683 /nfs/dbraw/zinc/58/86/83/947588683.db2.gz MYJMGCAYYPZRCK-ONGXEEELSA-N -1 1 380.403 1.597 20 0 GDADMM COc1ccc(CCCNC(=O)Cc2noc(C)c2-c2nnn[n-]2)cc1OC ZINC000826192755 947591450 /nfs/dbraw/zinc/59/14/50/947591450.db2.gz ZPGLITMLXBUZGV-UHFFFAOYSA-N -1 1 386.412 1.472 20 0 GDADMM COc1ccc(CCCNC(=O)Cc2noc(C)c2-c2nn[n-]n2)cc1OC ZINC000826192755 947591460 /nfs/dbraw/zinc/59/14/60/947591460.db2.gz ZPGLITMLXBUZGV-UHFFFAOYSA-N -1 1 386.412 1.472 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@@H](CN(C)c3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001573350314 947595265 /nfs/dbraw/zinc/59/52/65/947595265.db2.gz ABQLACGUISSIIR-HNNXBMFYSA-N -1 1 390.451 1.898 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@@H](CN(C)c3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001573350314 947595273 /nfs/dbraw/zinc/59/52/73/947595273.db2.gz ABQLACGUISSIIR-HNNXBMFYSA-N -1 1 390.451 1.898 20 0 GDADMM COc1ccc(CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)cc1OC(F)F ZINC000826197678 947596513 /nfs/dbraw/zinc/59/65/13/947596513.db2.gz YZLTWJNAANOJAH-UHFFFAOYSA-N -1 1 394.338 1.632 20 0 GDADMM COc1ccc(CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)cc1OC(F)F ZINC000826197678 947596515 /nfs/dbraw/zinc/59/65/15/947596515.db2.gz YZLTWJNAANOJAH-UHFFFAOYSA-N -1 1 394.338 1.632 20 0 GDADMM C[C@@H](C(=O)N1C[C@H](Nc2nccnc2-c2nnn[n-]2)C(C)(C)C1)C(F)(F)F ZINC001573615086 947597245 /nfs/dbraw/zinc/59/72/45/947597245.db2.gz QMLCPCWWIQMPAD-IUCAKERBSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@@H](C(=O)N1C[C@H](Nc2nccnc2-c2nn[n-]n2)C(C)(C)C1)C(F)(F)F ZINC001573615086 947597255 /nfs/dbraw/zinc/59/72/55/947597255.db2.gz QMLCPCWWIQMPAD-IUCAKERBSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@H](C(=O)N1CCC(N(C)c2nccnc2-c2nnn[n-]2)CC1)C1CCCC1 ZINC001573615660 947608020 /nfs/dbraw/zinc/60/80/20/947608020.db2.gz FQNLBQNEHHSQPO-ZDUSSCGKSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](C(=O)N1CCC(N(C)c2nccnc2-c2nn[n-]n2)CC1)C1CCCC1 ZINC001573615660 947608025 /nfs/dbraw/zinc/60/80/25/947608025.db2.gz FQNLBQNEHHSQPO-ZDUSSCGKSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](C(=O)N1CCC(C)(Nc2cnc(-c3nnn[n-]3)cn2)CC1)n1cccc1 ZINC001573616793 947627489 /nfs/dbraw/zinc/62/74/89/947627489.db2.gz NSYZWBFOPZSOPQ-ZDUSSCGKSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@@H](C(=O)N1CCC(C)(Nc2cnc(-c3nn[n-]n3)cn2)CC1)n1cccc1 ZINC001573616793 947627496 /nfs/dbraw/zinc/62/74/96/947627496.db2.gz NSYZWBFOPZSOPQ-ZDUSSCGKSA-N -1 1 381.444 1.512 20 0 GDADMM C=Cc1ccc(C(=O)N(C)[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001573352177 947628736 /nfs/dbraw/zinc/62/87/36/947628736.db2.gz XPJPKRKEKXCPIL-HNNXBMFYSA-N -1 1 376.424 1.651 20 0 GDADMM C=Cc1ccc(C(=O)N(C)[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001573352177 947628745 /nfs/dbraw/zinc/62/87/45/947628745.db2.gz XPJPKRKEKXCPIL-HNNXBMFYSA-N -1 1 376.424 1.651 20 0 GDADMM C=Cc1ccc(C(=O)N[C@]2(C)CCN(c3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001573354910 947638102 /nfs/dbraw/zinc/63/81/02/947638102.db2.gz JZMKYVXHDSKJOF-LJQANCHMSA-N -1 1 376.424 1.699 20 0 GDADMM C=Cc1ccc(C(=O)N[C@]2(C)CCN(c3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573354910 947638106 /nfs/dbraw/zinc/63/81/06/947638106.db2.gz JZMKYVXHDSKJOF-LJQANCHMSA-N -1 1 376.424 1.699 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)c1cccs1 ZINC001573617831 947641569 /nfs/dbraw/zinc/64/15/69/947641569.db2.gz NJIRFHKVDCQZGM-NWDGAFQWSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573617831 947641577 /nfs/dbraw/zinc/64/15/77/947641577.db2.gz NJIRFHKVDCQZGM-NWDGAFQWSA-N -1 1 384.469 1.559 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@]2(C)CCN(c3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001573355907 947646219 /nfs/dbraw/zinc/64/62/19/947646219.db2.gz SJWHFMABVWHFBL-IBGZPJMESA-N -1 1 376.424 1.699 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@]2(C)CCN(c3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001573355907 947646222 /nfs/dbraw/zinc/64/62/22/947646222.db2.gz SJWHFMABVWHFBL-IBGZPJMESA-N -1 1 376.424 1.699 20 0 GDADMM C=Cc1ccc(C(=O)N[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)cc1 ZINC001573356288 947650445 /nfs/dbraw/zinc/65/04/45/947650445.db2.gz WFPPVEJDWUKGOO-HNNXBMFYSA-N -1 1 376.424 1.699 20 0 GDADMM C=Cc1ccc(C(=O)N[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)cc1 ZINC001573356288 947650450 /nfs/dbraw/zinc/65/04/50/947650450.db2.gz WFPPVEJDWUKGOO-HNNXBMFYSA-N -1 1 376.424 1.699 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001573358648 947668399 /nfs/dbraw/zinc/66/83/99/947668399.db2.gz GNFGGUVRFVCENN-OAGGEKHMSA-N -1 1 388.435 1.839 20 0 GDADMM CSCC[C@H](C)N(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826228234 947670337 /nfs/dbraw/zinc/67/03/37/947670337.db2.gz JGJAHHBPYHYKEN-JTQLQIEISA-N -1 1 394.505 1.357 20 0 GDADMM CSCC[C@H](C)N(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826228234 947670343 /nfs/dbraw/zinc/67/03/43/947670343.db2.gz JGJAHHBPYHYKEN-JTQLQIEISA-N -1 1 394.505 1.357 20 0 GDADMM C/C(=C/C(=O)N[C@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2)C1CC1 ZINC001573361671 947694421 /nfs/dbraw/zinc/69/44/21/947694421.db2.gz DOPKJLBDMXCJFH-HCYCVZQXSA-N -1 1 380.456 1.488 20 0 GDADMM C/C(=C/C(=O)N[C@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2)C1CC1 ZINC001573361671 947694428 /nfs/dbraw/zinc/69/44/28/947694428.db2.gz DOPKJLBDMXCJFH-HCYCVZQXSA-N -1 1 380.456 1.488 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ccccc1F ZINC001573627177 947719949 /nfs/dbraw/zinc/71/99/49/947719949.db2.gz ZXGDUZFHJLGQTQ-VXGBXAGGSA-N -1 1 382.403 1.612 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ccccc1F ZINC001573627177 947719955 /nfs/dbraw/zinc/71/99/55/947719955.db2.gz ZXGDUZFHJLGQTQ-VXGBXAGGSA-N -1 1 382.403 1.612 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573627503 947723787 /nfs/dbraw/zinc/72/37/87/947723787.db2.gz CQXPYWQPPWPFQB-ZFWWWQNUSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC001573627444 947725514 /nfs/dbraw/zinc/72/55/14/947725514.db2.gz BNIOFVKLTOFXFS-CHWSQXEVSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC001573627444 947725522 /nfs/dbraw/zinc/72/55/22/947725522.db2.gz BNIOFVKLTOFXFS-CHWSQXEVSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001573627873 947736679 /nfs/dbraw/zinc/73/66/79/947736679.db2.gz GIRBPSNOIGNIMR-VHSXEESVSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573627873 947736691 /nfs/dbraw/zinc/73/66/91/947736691.db2.gz GIRBPSNOIGNIMR-VHSXEESVSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1)n1cccc1 ZINC001573627866 947736808 /nfs/dbraw/zinc/73/68/08/947736808.db2.gz GHSMHCDECSEIBX-UONOGXRCSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1)n1cccc1 ZINC001573627866 947736817 /nfs/dbraw/zinc/73/68/17/947736817.db2.gz GHSMHCDECSEIBX-UONOGXRCSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1)C(F)(F)F ZINC001573628093 947745523 /nfs/dbraw/zinc/74/55/23/947745523.db2.gz IMOWHWOASSUAEL-VHSXEESVSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1)C(F)(F)F ZINC001573628093 947745532 /nfs/dbraw/zinc/74/55/32/947745532.db2.gz IMOWHWOASSUAEL-VHSXEESVSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1)C(F)(F)F ZINC001573628091 947745781 /nfs/dbraw/zinc/74/57/81/947745781.db2.gz IMOWHWOASSUAEL-NXEZZACHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1)C(F)(F)F ZINC001573628091 947745789 /nfs/dbraw/zinc/74/57/89/947745789.db2.gz IMOWHWOASSUAEL-NXEZZACHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cccnc1 ZINC001573628611 947759643 /nfs/dbraw/zinc/75/96/43/947759643.db2.gz IZWJLEVXVJQNDX-TZMCWYRMSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573628611 947759654 /nfs/dbraw/zinc/75/96/54/947759654.db2.gz IZWJLEVXVJQNDX-TZMCWYRMSA-N -1 1 379.428 1.258 20 0 GDADMM CC(=O)CCCC(=O)N1CCCCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573372834 947783759 /nfs/dbraw/zinc/78/37/59/947783759.db2.gz DNFVWDSFIQIYKN-CQSZACIVSA-N -1 1 386.460 1.599 20 0 GDADMM CC(=O)CCCC(=O)N1CCCCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573372834 947783767 /nfs/dbraw/zinc/78/37/67/947783767.db2.gz DNFVWDSFIQIYKN-CQSZACIVSA-N -1 1 386.460 1.599 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@H](CN(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573372941 947786656 /nfs/dbraw/zinc/78/66/56/947786656.db2.gz GEVAPUVKXFWMSA-CQSZACIVSA-N -1 1 386.460 1.091 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@H](CN(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573372941 947786662 /nfs/dbraw/zinc/78/66/62/947786662.db2.gz GEVAPUVKXFWMSA-CQSZACIVSA-N -1 1 386.460 1.091 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccnc(-c2nn[n-]n2)n1)C1CCC1 ZINC001573630561 947793668 /nfs/dbraw/zinc/79/36/68/947793668.db2.gz YQSGKKPIVQIEJO-QEJZJMRPSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573630752 947794502 /nfs/dbraw/zinc/79/45/02/947794502.db2.gz RXBMBEDDXDQCBS-MJBXVCDLSA-N -1 1 384.488 1.909 20 0 GDADMM CC(=O)CCCC(=O)N[C@]12CCC[C@@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001573373503 947794891 /nfs/dbraw/zinc/79/48/91/947794891.db2.gz CUVBVEXEKBYANY-KSSFIOAISA-N -1 1 384.444 1.034 20 0 GDADMM CC(=O)CCCC(=O)N[C@]12CCC[C@@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001573373503 947794897 /nfs/dbraw/zinc/79/48/97/947794897.db2.gz CUVBVEXEKBYANY-KSSFIOAISA-N -1 1 384.444 1.034 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001573373782 947798690 /nfs/dbraw/zinc/79/86/90/947798690.db2.gz LOZWFHWOUCZDHN-BXUZGUMPSA-N -1 1 386.460 1.373 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001573373782 947798700 /nfs/dbraw/zinc/79/87/00/947798700.db2.gz LOZWFHWOUCZDHN-BXUZGUMPSA-N -1 1 386.460 1.373 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)[C@@H](C)C1 ZINC001573373753 947799483 /nfs/dbraw/zinc/79/94/83/947799483.db2.gz LHBCYWHMLOWXET-GXTWGEPZSA-N -1 1 386.460 1.313 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)[C@@H](C)C1 ZINC001573373753 947799494 /nfs/dbraw/zinc/79/94/94/947799494.db2.gz LHBCYWHMLOWXET-GXTWGEPZSA-N -1 1 386.460 1.313 20 0 GDADMM CC(=O)CCCC(=O)NC1CCC(Nc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573374233 947806100 /nfs/dbraw/zinc/80/61/00/947806100.db2.gz IPSKKDKGUMKPSY-UHFFFAOYSA-N -1 1 386.460 1.564 20 0 GDADMM CC(=O)CCCC(=O)NC1CCC(Nc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573374233 947806107 /nfs/dbraw/zinc/80/61/07/947806107.db2.gz IPSKKDKGUMKPSY-UHFFFAOYSA-N -1 1 386.460 1.564 20 0 GDADMM C[C@@H](C(=O)N1CC[C@]2(C1)CCCN(c1ccc(-c3nnn[n-]3)nn1)C2)C1CC1 ZINC001573632014 947808742 /nfs/dbraw/zinc/80/87/42/947808742.db2.gz XZJFXHOSRSTZMY-BFUOFWGJSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H](C(=O)N1CC[C@]2(C1)CCCN(c1ccc(-c3nn[n-]n3)nn1)C2)C1CC1 ZINC001573632014 947808752 /nfs/dbraw/zinc/80/87/52/947808752.db2.gz XZJFXHOSRSTZMY-BFUOFWGJSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H](C(=O)N1CCCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1)C(C)(C)C ZINC001573637393 947812790 /nfs/dbraw/zinc/81/27/90/947812790.db2.gz BMTYALMCMIKMKJ-OLZOCXBDSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@H](C(=O)N1CCCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1)C(C)(C)C ZINC001573637393 947812797 /nfs/dbraw/zinc/81/27/97/947812797.db2.gz BMTYALMCMIKMKJ-OLZOCXBDSA-N -1 1 388.476 1.368 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@@H]1[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001573374732 947813430 /nfs/dbraw/zinc/81/34/30/947813430.db2.gz PMUWFSVKRDYQMC-ZIAGYGMSSA-N -1 1 386.460 1.598 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@@H]1[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001573374732 947813438 /nfs/dbraw/zinc/81/34/38/947813438.db2.gz PMUWFSVKRDYQMC-ZIAGYGMSSA-N -1 1 386.460 1.598 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1)C(C)(F)F ZINC001573637611 947820480 /nfs/dbraw/zinc/82/04/80/947820480.db2.gz KLPXWWZWYJDQOM-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1)C(C)(F)F ZINC001573637611 947820488 /nfs/dbraw/zinc/82/04/88/947820488.db2.gz KLPXWWZWYJDQOM-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@H]([C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573375703 947826799 /nfs/dbraw/zinc/82/67/99/947826799.db2.gz UBSJJQYWJBWNKE-KGLIPLIRSA-N -1 1 386.460 1.455 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@H]([C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573375703 947826816 /nfs/dbraw/zinc/82/68/16/947826816.db2.gz UBSJJQYWJBWNKE-KGLIPLIRSA-N -1 1 386.460 1.455 20 0 GDADMM C[C@H](C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1)c1cccnc1 ZINC001573638180 947836413 /nfs/dbraw/zinc/83/64/13/947836413.db2.gz IDMOASDAWLLUOP-ZDUSSCGKSA-N -1 1 383.481 1.771 20 0 GDADMM CC(=O)CCCC(=O)NC[C@@]1(C)CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573380373 947858803 /nfs/dbraw/zinc/85/88/03/947858803.db2.gz CKJJVMSDWYAWSF-GOSISDBHSA-N -1 1 386.460 1.139 20 0 GDADMM CC(=O)CCCC(=O)NC[C@@]1(C)CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573380373 947858816 /nfs/dbraw/zinc/85/88/16/947858816.db2.gz CKJJVMSDWYAWSF-GOSISDBHSA-N -1 1 386.460 1.139 20 0 GDADMM C[C@H](C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)c1cccc(F)c1 ZINC001573643530 947865482 /nfs/dbraw/zinc/86/54/82/947865482.db2.gz URVMMGHWIKKMQY-LBPRGKRZSA-N -1 1 382.403 1.248 20 0 GDADMM C[C@H](C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)c1cccc(F)c1 ZINC001573643530 947865488 /nfs/dbraw/zinc/86/54/88/947865488.db2.gz URVMMGHWIKKMQY-LBPRGKRZSA-N -1 1 382.403 1.248 20 0 GDADMM C[C@H](C(=O)N1C[C@@]2(C)CN(c3nccnc3-c3nnn[n-]3)C[C@@]2(C)C1)C1CC1 ZINC001573651224 947919860 /nfs/dbraw/zinc/91/98/60/947919860.db2.gz KGFOYZCCKUAGBK-YXKWSERDSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H](C(=O)N1C[C@@]2(C)CN(c3nccnc3-c3nn[n-]n3)C[C@@]2(C)C1)C1CC1 ZINC001573651224 947919865 /nfs/dbraw/zinc/91/98/65/947919865.db2.gz KGFOYZCCKUAGBK-YXKWSERDSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1)C1CCC1 ZINC001573652018 947927030 /nfs/dbraw/zinc/92/70/30/947927030.db2.gz UNISXPZPGXBMGR-CFVMTHIKSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1)C1CCC1 ZINC001573652018 947927035 /nfs/dbraw/zinc/92/70/35/947927035.db2.gz UNISXPZPGXBMGR-CFVMTHIKSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C(C)(C)C)C(F)(F)F ZINC001573652092 947928868 /nfs/dbraw/zinc/92/88/68/947928868.db2.gz AVJWLOPWEUQFPK-WCBMZHEXSA-N -1 1 386.382 1.798 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C(C)(C)C)C(F)(F)F ZINC001573652092 947928872 /nfs/dbraw/zinc/92/88/72/947928872.db2.gz AVJWLOPWEUQFPK-WCBMZHEXSA-N -1 1 386.382 1.798 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1)C1CCC1 ZINC001573652386 947937966 /nfs/dbraw/zinc/93/79/66/947937966.db2.gz YPNODJOUZJVYGM-CFVMTHIKSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1)C1CCC1 ZINC001573652386 947937970 /nfs/dbraw/zinc/93/79/70/947937970.db2.gz YPNODJOUZJVYGM-CFVMTHIKSA-N -1 1 382.472 1.378 20 0 GDADMM Cc1oc(NC(=O)CN[C@@H](C(=O)OC(C)(C)C)C(C)C)c(-c2nn[n-]n2)c1C ZINC000826342329 947984541 /nfs/dbraw/zinc/98/45/41/947984541.db2.gz GNDMJWIFNBZGKF-CQSZACIVSA-N -1 1 392.460 1.971 20 0 GDADMM Cc1onc(CC(=O)N2C[C@@H](C)C(=O)N(C)c3ccccc32)c1-c1nnn[n-]1 ZINC000826343539 947993266 /nfs/dbraw/zinc/99/32/66/947993266.db2.gz FHWXJTCXKSHPHI-SNVBAGLBSA-N -1 1 381.396 1.351 20 0 GDADMM Cc1onc(CC(=O)N2C[C@@H](C)C(=O)N(C)c3ccccc32)c1-c1nn[n-]n1 ZINC000826343539 947993272 /nfs/dbraw/zinc/99/32/72/947993272.db2.gz FHWXJTCXKSHPHI-SNVBAGLBSA-N -1 1 381.396 1.351 20 0 GDADMM Cc1onc(CC(=O)N(CCCO)Cc2cccc(Cl)c2)c1-c1nnn[n-]1 ZINC000826343707 947995643 /nfs/dbraw/zinc/99/56/43/947995643.db2.gz KTYPIZYYTUVAGW-UHFFFAOYSA-N -1 1 390.831 1.770 20 0 GDADMM Cc1onc(CC(=O)N(CCCO)Cc2cccc(Cl)c2)c1-c1nn[n-]n1 ZINC000826343707 947995649 /nfs/dbraw/zinc/99/56/49/947995649.db2.gz KTYPIZYYTUVAGW-UHFFFAOYSA-N -1 1 390.831 1.770 20 0 GDADMM Cc1onc(CC(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)c1-c1nnn[n-]1 ZINC000826343979 947999268 /nfs/dbraw/zinc/99/92/68/947999268.db2.gz TVFFMGRDEDYQRR-HNNXBMFYSA-N -1 1 382.424 1.913 20 0 GDADMM Cc1onc(CC(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)c1-c1nn[n-]n1 ZINC000826343979 947999273 /nfs/dbraw/zinc/99/92/73/947999273.db2.gz TVFFMGRDEDYQRR-HNNXBMFYSA-N -1 1 382.424 1.913 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@H](c3noc(C4CC4)n3)C2)c1-c1nnn[n-]1 ZINC000826344534 948009882 /nfs/dbraw/zinc/00/98/82/948009882.db2.gz KLQUMGRHPDHEBH-NSHDSACASA-N -1 1 384.400 1.372 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@H](c3noc(C4CC4)n3)C2)c1-c1nn[n-]n1 ZINC000826344534 948009890 /nfs/dbraw/zinc/00/98/90/948009890.db2.gz KLQUMGRHPDHEBH-NSHDSACASA-N -1 1 384.400 1.372 20 0 GDADMM Cc1onc(CC(=O)N2CCCC[C@@H]2C(=O)OC(C)(C)C)c1-c1nnn[n-]1 ZINC000826344951 948016893 /nfs/dbraw/zinc/01/68/93/948016893.db2.gz XSMVBSSWBKRWDI-GFCCVEGCSA-N -1 1 376.417 1.428 20 0 GDADMM Cc1onc(CC(=O)N2CCCC[C@@H]2C(=O)OC(C)(C)C)c1-c1nn[n-]n1 ZINC000826344951 948016903 /nfs/dbraw/zinc/01/69/03/948016903.db2.gz XSMVBSSWBKRWDI-GFCCVEGCSA-N -1 1 376.417 1.428 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2)C(C)(F)F ZINC001573664068 948046793 /nfs/dbraw/zinc/04/67/93/948046793.db2.gz RTQZCPWKTYUVKJ-GHMZBOCLSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1)C1CCC1 ZINC001573664142 948049661 /nfs/dbraw/zinc/04/96/61/948049661.db2.gz CFHKLVLSFDTUBV-JZIBPQBNSA-N -1 1 382.472 1.709 20 0 GDADMM C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1)C1CCC1 ZINC001573664142 948049674 /nfs/dbraw/zinc/04/96/74/948049674.db2.gz CFHKLVLSFDTUBV-JZIBPQBNSA-N -1 1 382.472 1.709 20 0 GDADMM Cc1onc(CC(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)c1-c1nnn[n-]1 ZINC000826347227 948050293 /nfs/dbraw/zinc/05/02/93/948050293.db2.gz JIAKBBWXMBTTHF-GFCCVEGCSA-N -1 1 385.403 1.487 20 0 GDADMM Cc1onc(CC(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)c1-c1nn[n-]n1 ZINC000826347227 948050299 /nfs/dbraw/zinc/05/02/99/948050299.db2.gz JIAKBBWXMBTTHF-GFCCVEGCSA-N -1 1 385.403 1.487 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1)C(C)(F)F ZINC001573664537 948055583 /nfs/dbraw/zinc/05/55/83/948055583.db2.gz FNFPFPIASQKVEK-WDEREUQCSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1)C(C)(F)F ZINC001573664537 948055589 /nfs/dbraw/zinc/05/55/89/948055589.db2.gz FNFPFPIASQKVEK-WDEREUQCSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](C(=O)NC1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)C(C)(F)F ZINC001573664699 948061053 /nfs/dbraw/zinc/06/10/53/948061053.db2.gz GHPALBOBYLYKLR-WHXUTIOJSA-N -1 1 380.403 1.209 20 0 GDADMM Cc1onc(CC(=O)NCCc2ccccc2OC(F)(F)F)c1-c1nnn[n-]1 ZINC000826347738 948061157 /nfs/dbraw/zinc/06/11/57/948061157.db2.gz CSVZGZSKAUQBOZ-UHFFFAOYSA-N -1 1 396.329 1.963 20 0 GDADMM Cc1onc(CC(=O)NCCc2ccccc2OC(F)(F)F)c1-c1nn[n-]n1 ZINC000826347738 948061163 /nfs/dbraw/zinc/06/11/63/948061163.db2.gz CSVZGZSKAUQBOZ-UHFFFAOYSA-N -1 1 396.329 1.963 20 0 GDADMM Cc1onc(CC(=O)NCc2nc3ccccc3n2C(C)C)c1-c1nnn[n-]1 ZINC000826347990 948062709 /nfs/dbraw/zinc/06/27/09/948062709.db2.gz OUIPVCOEINTCAM-UHFFFAOYSA-N -1 1 380.412 1.953 20 0 GDADMM Cc1onc(CC(=O)NCc2nc3ccccc3n2C(C)C)c1-c1nn[n-]n1 ZINC000826347990 948062721 /nfs/dbraw/zinc/06/27/21/948062721.db2.gz OUIPVCOEINTCAM-UHFFFAOYSA-N -1 1 380.412 1.953 20 0 GDADMM Cc1onc(CC(=O)NCCc2nc3cc(F)ccc3n2C)c1-c1nnn[n-]1 ZINC000826348052 948066454 /nfs/dbraw/zinc/06/64/54/948066454.db2.gz RIHZTSBMSRNSBE-UHFFFAOYSA-N -1 1 384.375 1.090 20 0 GDADMM Cc1onc(CC(=O)NCCc2nc3cc(F)ccc3n2C)c1-c1nn[n-]n1 ZINC000826348052 948066461 /nfs/dbraw/zinc/06/64/61/948066461.db2.gz RIHZTSBMSRNSBE-UHFFFAOYSA-N -1 1 384.375 1.090 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C(C)(F)F ZINC001573665092 948067412 /nfs/dbraw/zinc/06/74/12/948067412.db2.gz IUNAGXPICXOURK-QWRGUYRKSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C(C)(F)F ZINC001573665092 948067422 /nfs/dbraw/zinc/06/74/22/948067422.db2.gz IUNAGXPICXOURK-QWRGUYRKSA-N -1 1 380.403 1.423 20 0 GDADMM Cc1onc(CC(=O)Nc2n[nH]cc2-c2ccc3c(c2)OCO3)c1-c1nnn[n-]1 ZINC000826348210 948068244 /nfs/dbraw/zinc/06/82/44/948068244.db2.gz ANYHWGZCLQTTGI-UHFFFAOYSA-N -1 1 394.351 1.463 20 0 GDADMM Cc1onc(CC(=O)Nc2n[nH]cc2-c2ccc3c(c2)OCO3)c1-c1nn[n-]n1 ZINC000826348210 948068253 /nfs/dbraw/zinc/06/82/53/948068253.db2.gz ANYHWGZCLQTTGI-UHFFFAOYSA-N -1 1 394.351 1.463 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c1-c1nnn[n-]1 ZINC000826348305 948071068 /nfs/dbraw/zinc/07/10/68/948071068.db2.gz GLCWNXDEWBVZQH-UHFFFAOYSA-N -1 1 381.396 1.580 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c1-c1nn[n-]n1 ZINC000826348305 948071078 /nfs/dbraw/zinc/07/10/78/948071078.db2.gz GLCWNXDEWBVZQH-UHFFFAOYSA-N -1 1 381.396 1.580 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C(F)(F)F ZINC001573665816 948076343 /nfs/dbraw/zinc/07/63/43/948076343.db2.gz NJKJGVHZLJGSAR-ZJUUUORDSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C(F)(F)F ZINC001573665816 948076352 /nfs/dbraw/zinc/07/63/52/948076352.db2.gz NJKJGVHZLJGSAR-ZJUUUORDSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C1CCCC1 ZINC001573667322 948096361 /nfs/dbraw/zinc/09/63/61/948096361.db2.gz YYKXKLIYBKLUQM-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)CC(C)(C)C1)C1CC1 ZINC001573673338 948113043 /nfs/dbraw/zinc/11/30/43/948113043.db2.gz KJWUDOJDXJBWFR-JSGCOSHPSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)CC(C)(C)C1)C1CC1 ZINC001573673338 948113047 /nfs/dbraw/zinc/11/30/47/948113047.db2.gz KJWUDOJDXJBWFR-JSGCOSHPSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C)C(F)(F)F ZINC001573677833 948142150 /nfs/dbraw/zinc/14/21/50/948142150.db2.gz FOUFQCIJFAGIRM-WPRPVWTQSA-N -1 1 384.366 1.186 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C)C(F)(F)F ZINC001573677833 948142156 /nfs/dbraw/zinc/14/21/56/948142156.db2.gz FOUFQCIJFAGIRM-WPRPVWTQSA-N -1 1 384.366 1.186 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC1(C)C)C(F)(F)F ZINC001573677823 948142484 /nfs/dbraw/zinc/14/24/84/948142484.db2.gz FLUFTUNBNWTSIR-DTWKUNHWSA-N -1 1 384.366 1.186 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC1(C)C)C(F)(F)F ZINC001573677823 948142489 /nfs/dbraw/zinc/14/24/89/948142489.db2.gz FLUFTUNBNWTSIR-DTWKUNHWSA-N -1 1 384.366 1.186 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1)n1cccc1 ZINC001573677910 948143067 /nfs/dbraw/zinc/14/30/67/948143067.db2.gz YTZKRRGSWMLXIL-VHSXEESVSA-N -1 1 392.876 1.734 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1)n1cccc1 ZINC001573677910 948143070 /nfs/dbraw/zinc/14/30/70/948143070.db2.gz YTZKRRGSWMLXIL-VHSXEESVSA-N -1 1 392.876 1.734 20 0 GDADMM C[C@@H](CNC(=O)[C@@H](C)c1ccccc1F)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001573679177 948158050 /nfs/dbraw/zinc/15/80/50/948158050.db2.gz JPPBPFILTMCKDS-RYUDHWBXSA-N -1 1 384.419 1.540 20 0 GDADMM C[C@@H](CNC(=O)[C@@H](C)c1ccccc1F)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001573679177 948158056 /nfs/dbraw/zinc/15/80/56/948158056.db2.gz JPPBPFILTMCKDS-RYUDHWBXSA-N -1 1 384.419 1.540 20 0 GDADMM CC(C)[C@@H](CNC(=O)[C@@H](C)c1cccnc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573679440 948161812 /nfs/dbraw/zinc/16/18/12/948161812.db2.gz IVXLSMINDQZGQB-SWLSCSKDSA-N -1 1 381.444 1.408 20 0 GDADMM CC(C)[C@@H](CNC(=O)[C@@H](C)c1cccnc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573679440 948161815 /nfs/dbraw/zinc/16/18/15/948161815.db2.gz IVXLSMINDQZGQB-SWLSCSKDSA-N -1 1 381.444 1.408 20 0 GDADMM C[C@H](C(=O)NC[C@@H](Nc1nccnc1-c1nnn[n-]1)C1CC1)c1cccnc1 ZINC001573680315 948177254 /nfs/dbraw/zinc/17/72/54/948177254.db2.gz MYJJYBNBSACJQB-SMDDNHRTSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@H](C(=O)NC[C@@H](Nc1nccnc1-c1nn[n-]n1)C1CC1)c1cccnc1 ZINC001573680315 948177257 /nfs/dbraw/zinc/17/72/57/948177257.db2.gz MYJJYBNBSACJQB-SMDDNHRTSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@@H](C(=O)NC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1ccsc1 ZINC001573681876 948215957 /nfs/dbraw/zinc/21/59/57/948215957.db2.gz YIGPHSOVFRIODR-MFKMUULPSA-N -1 1 384.469 1.251 20 0 GDADMM C[C@@H](C(=O)NCC1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C1CCC1 ZINC001573690590 948228360 /nfs/dbraw/zinc/22/83/60/948228360.db2.gz FCVBPBFUEMGXQE-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCCC1)C(F)(F)F ZINC001573692608 948269549 /nfs/dbraw/zinc/26/95/49/948269549.db2.gz RCZZOIVBENEKNE-SECBINFHSA-N -1 1 384.366 1.118 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cc(F)c(N2CCCCC2)c(F)c1 ZINC000826425895 948274708 /nfs/dbraw/zinc/27/47/08/948274708.db2.gz YQIHJSGRFZXVIN-UHFFFAOYSA-N -1 1 389.370 1.365 20 0 GDADMM C[C@@H](C(=O)NC[C@@H](O)CNc1nc(Cl)c(-c2nnn[n-]2)s1)C1CCC1 ZINC001573692998 948276485 /nfs/dbraw/zinc/27/64/85/948276485.db2.gz RGNKWWXQFQEMAS-VXNVDRBHSA-N -1 1 385.881 1.302 20 0 GDADMM C[C@@H](C(=O)NC[C@@H](O)CNc1nc(Cl)c(-c2nn[n-]n2)s1)C1CCC1 ZINC001573692998 948276490 /nfs/dbraw/zinc/27/64/90/948276490.db2.gz RGNKWWXQFQEMAS-VXNVDRBHSA-N -1 1 385.881 1.302 20 0 GDADMM C[C@@H](C(=O)NC[C@@]1(C)CN(c2nccnc2-c2nnn[n-]2)CCO1)C(C)(C)C ZINC001573693797 948286839 /nfs/dbraw/zinc/28/68/39/948286839.db2.gz UDASZDGRKPHFCX-SGTLLEGYSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@@H](C(=O)NC[C@@]1(C)CN(c2nccnc2-c2nn[n-]n2)CCO1)C(C)(C)C ZINC001573693797 948286847 /nfs/dbraw/zinc/28/68/47/948286847.db2.gz UDASZDGRKPHFCX-SGTLLEGYSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCCC1)[C@H]1CCCO1 ZINC001573696534 948329506 /nfs/dbraw/zinc/32/95/06/948329506.db2.gz RTZSNVAWOZDNKB-QWHCGFSZSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCCC1)[C@H]1CCCO1 ZINC001573696534 948329514 /nfs/dbraw/zinc/32/95/14/948329514.db2.gz RTZSNVAWOZDNKB-QWHCGFSZSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001573701489 948338863 /nfs/dbraw/zinc/33/88/63/948338863.db2.gz ALHWTIVCIJTHRR-ZJUUUORDSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573701489 948338872 /nfs/dbraw/zinc/33/88/72/948338872.db2.gz ALHWTIVCIJTHRR-ZJUUUORDSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1)c1cccs1 ZINC001573702852 948347923 /nfs/dbraw/zinc/34/79/23/948347923.db2.gz GNLVUSJBXMQPRJ-NEPJUHHUSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1)c1cccs1 ZINC001573702852 948347927 /nfs/dbraw/zinc/34/79/27/948347927.db2.gz GNLVUSJBXMQPRJ-NEPJUHHUSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001573704451 948374611 /nfs/dbraw/zinc/37/46/11/948374611.db2.gz SMQRLMRGTQOMGK-UWVGGRQHSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001573704451 948374619 /nfs/dbraw/zinc/37/46/19/948374619.db2.gz SMQRLMRGTQOMGK-UWVGGRQHSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1cccs1 ZINC001573704563 948375541 /nfs/dbraw/zinc/37/55/41/948375541.db2.gz CCVLZSQZQQBUDR-NEPJUHHUSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1cccs1 ZINC001573704563 948375552 /nfs/dbraw/zinc/37/55/52/948375552.db2.gz CCVLZSQZQQBUDR-NEPJUHHUSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@@H](C(=O)NCCC1(CNc2cnc(-c3nnn[n-]3)cn2)CC1)C(F)(F)F ZINC001573705562 948403715 /nfs/dbraw/zinc/40/37/15/948403715.db2.gz FZTRLBUGULSMLU-VIFPVBQESA-N -1 1 384.366 1.554 20 0 GDADMM C[C@@H](C(=O)NCCC1(CNc2cnc(-c3nn[n-]n3)cn2)CC1)C(F)(F)F ZINC001573705562 948403719 /nfs/dbraw/zinc/40/37/19/948403719.db2.gz FZTRLBUGULSMLU-VIFPVBQESA-N -1 1 384.366 1.554 20 0 GDADMM C[C@H](C(=O)NCCC1(CNc2ccnc(-c3nn[n-]n3)n2)CC1)c1ccco1 ZINC001573708284 948447098 /nfs/dbraw/zinc/44/70/98/948447098.db2.gz SRQIJVGUMGQRMW-LBPRGKRZSA-N -1 1 382.428 1.174 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccsc1 ZINC001573708428 948450068 /nfs/dbraw/zinc/45/00/68/948450068.db2.gz VFNUIWDUUZMVDO-NWDGAFQWSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1)C1CCC1 ZINC001573708688 948455493 /nfs/dbraw/zinc/45/54/93/948455493.db2.gz XEUZAFJTDLZKQO-JSGCOSHPSA-N -1 1 390.513 1.681 20 0 GDADMM C[C@@H](C(=O)NCC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573714757 948476474 /nfs/dbraw/zinc/47/64/74/948476474.db2.gz JSQVMZXYSPAXFW-WDEREUQCSA-N -1 1 380.403 1.281 20 0 GDADMM C[C@@H](C(=O)NCC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001573715394 948489582 /nfs/dbraw/zinc/48/95/82/948489582.db2.gz VOFVSMKTBYACJZ-VHSXEESVSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@H](C(=O)NCC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001573715394 948489589 /nfs/dbraw/zinc/48/95/89/948489589.db2.gz VOFVSMKTBYACJZ-VHSXEESVSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@H](CCNC(=O)[C@@H](C)c1ccccc1F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573716595 948501584 /nfs/dbraw/zinc/50/15/84/948501584.db2.gz INHKTSHEHSLZHC-RYUDHWBXSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@@H](CCNC(=O)[C@@H](C)c1ccccc1F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573716595 948501592 /nfs/dbraw/zinc/50/15/92/948501592.db2.gz INHKTSHEHSLZHC-RYUDHWBXSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001573725944 948546699 /nfs/dbraw/zinc/54/66/99/948546699.db2.gz DFUZOWBESYOXAU-RJZRQDKASA-N -1 1 382.472 1.566 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001573725944 948546702 /nfs/dbraw/zinc/54/67/02/948546702.db2.gz DFUZOWBESYOXAU-RJZRQDKASA-N -1 1 382.472 1.566 20 0 GDADMM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccsc1 ZINC001573726671 948549318 /nfs/dbraw/zinc/54/93/18/948549318.db2.gz JDGGNVKTZAVPQW-GMXVVIOVSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccsc1 ZINC001573726671 948549322 /nfs/dbraw/zinc/54/93/22/948549322.db2.gz JDGGNVKTZAVPQW-GMXVVIOVSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NCc1ccc2c(c1)CN(c1cncc(-c3nnn[n-]3)n1)C2)C1CC1 ZINC001573730553 948582018 /nfs/dbraw/zinc/58/20/18/948582018.db2.gz RBHUIIRBPQTVJK-LBPRGKRZSA-N -1 1 390.451 1.839 20 0 GDADMM C[C@H](C(=O)NCc1ccc2c(c1)CN(c1cncc(-c3nn[n-]n3)n1)C2)C1CC1 ZINC001573730553 948582022 /nfs/dbraw/zinc/58/20/22/948582022.db2.gz RBHUIIRBPQTVJK-LBPRGKRZSA-N -1 1 390.451 1.839 20 0 GDADMM C[C@H](C(=O)N[C@@H](C)CNc1nc(Cl)c(-c2nnn[n-]2)s1)n1cccn1 ZINC001573732216 948601230 /nfs/dbraw/zinc/60/12/30/948601230.db2.gz MWCMDRFOMIZQHK-JGVFFNPUSA-N -1 1 381.853 1.351 20 0 GDADMM C[C@H](C(=O)N[C@@H](C)CNc1nc(Cl)c(-c2nn[n-]n2)s1)n1cccn1 ZINC001573732216 948601234 /nfs/dbraw/zinc/60/12/34/948601234.db2.gz MWCMDRFOMIZQHK-JGVFFNPUSA-N -1 1 381.853 1.351 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nnn[n-]1)n1cccc1 ZINC001573736264 948614017 /nfs/dbraw/zinc/61/40/17/948614017.db2.gz LWERLYVYTRIYRP-BFHYXJOUSA-N -1 1 381.444 1.559 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nn[n-]n1)n1cccc1 ZINC001573736264 948614022 /nfs/dbraw/zinc/61/40/22/948614022.db2.gz LWERLYVYTRIYRP-BFHYXJOUSA-N -1 1 381.444 1.559 20 0 GDADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1)c1cccnc1 ZINC001573739667 948620802 /nfs/dbraw/zinc/62/08/02/948620802.db2.gz FZLBMSPTKKSKTJ-MYPMTAMASA-N -1 1 391.439 1.081 20 0 GDADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1)c1cccnc1 ZINC001573739667 948620804 /nfs/dbraw/zinc/62/08/04/948620804.db2.gz FZLBMSPTKKSKTJ-MYPMTAMASA-N -1 1 391.439 1.081 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C)c1cccs1 ZINC001573740768 948642152 /nfs/dbraw/zinc/64/21/52/948642152.db2.gz OQDPNONKOBOPOA-IJLUTSLNSA-N -1 1 384.469 1.463 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1)c1ccco1 ZINC001573740896 948644644 /nfs/dbraw/zinc/64/46/44/948644644.db2.gz UXLKVOOUFSUDSN-LPWJVIDDSA-N -1 1 380.412 1.279 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1)c1ccco1 ZINC001573740896 948644649 /nfs/dbraw/zinc/64/46/49/948644649.db2.gz UXLKVOOUFSUDSN-LPWJVIDDSA-N -1 1 380.412 1.279 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@@H](C)[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)nc1 ZINC001574416556 948751615 /nfs/dbraw/zinc/75/16/15/948751615.db2.gz XTRJNEDWNDSXTG-RYUDHWBXSA-N -1 1 381.444 1.794 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@@H](C)[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)nc1 ZINC001574416556 948751622 /nfs/dbraw/zinc/75/16/22/948751622.db2.gz XTRJNEDWNDSXTG-RYUDHWBXSA-N -1 1 381.444 1.794 20 0 GDADMM CC(C)c1ccc(C(=O)NCC2(Nc3nccnc3-c3nnn[n-]3)CC2)nc1 ZINC001574416544 948752360 /nfs/dbraw/zinc/75/23/60/948752360.db2.gz XLPVSUGONQEGMK-UHFFFAOYSA-N -1 1 379.428 1.550 20 0 GDADMM CC(C)c1ccc(C(=O)NCC2(Nc3nccnc3-c3nn[n-]n3)CC2)nc1 ZINC001574416544 948752369 /nfs/dbraw/zinc/75/23/69/948752369.db2.gz XLPVSUGONQEGMK-UHFFFAOYSA-N -1 1 379.428 1.550 20 0 GDADMM C[C@@H](CNC(=O)CCc1ccc(F)cc1F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574914486 948752479 /nfs/dbraw/zinc/75/24/79/948752479.db2.gz KSOBOHAJBUUGRE-JTQLQIEISA-N -1 1 388.382 1.484 20 0 GDADMM C[C@@H](CNC(=O)CCc1ccc(F)cc1F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574914486 948752492 /nfs/dbraw/zinc/75/24/92/948752492.db2.gz KSOBOHAJBUUGRE-JTQLQIEISA-N -1 1 388.382 1.484 20 0 GDADMM CC(F)(F)C1(C(=O)NCC2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)CC1 ZINC001575221797 948752585 /nfs/dbraw/zinc/75/25/85/948752585.db2.gz CVLDFPAHEBHXFE-UHFFFAOYSA-N -1 1 392.414 1.425 20 0 GDADMM CC(F)(F)C1(C(=O)NCC2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)CC1 ZINC001575221797 948752599 /nfs/dbraw/zinc/75/25/99/948752599.db2.gz CVLDFPAHEBHXFE-UHFFFAOYSA-N -1 1 392.414 1.425 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cccc(N(C)C)c1 ZINC001574678622 948757308 /nfs/dbraw/zinc/75/73/08/948757308.db2.gz HRLCUBRPQRPQCP-GFCCVEGCSA-N -1 1 381.444 1.343 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cccc(N(C)C)c1 ZINC001574678622 948757317 /nfs/dbraw/zinc/75/73/17/948757317.db2.gz HRLCUBRPQRPQCP-GFCCVEGCSA-N -1 1 381.444 1.343 20 0 GDADMM C[C@@H](C(=O)Nc1ccc2cc(N(C)C)ccc2c1)n1cnc(-c2nn[n-]n2)n1 ZINC001573755158 948757643 /nfs/dbraw/zinc/75/76/43/948757643.db2.gz BKRRQUNFFACKKY-NSHDSACASA-N -1 1 377.412 1.877 20 0 GDADMM C[C@H](CNC(=O)CCc1ccc(F)cc1F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574914843 948758649 /nfs/dbraw/zinc/75/86/49/948758649.db2.gz NWXLRRSCTBUOHN-SNVBAGLBSA-N -1 1 388.382 1.484 20 0 GDADMM C[C@H](CNC(=O)CCc1ccc(F)cc1F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574914843 948758658 /nfs/dbraw/zinc/75/86/58/948758658.db2.gz NWXLRRSCTBUOHN-SNVBAGLBSA-N -1 1 388.382 1.484 20 0 GDADMM CC(F)(F)CC(=O)N[C@]12CCC[C@H]1N(c1nccnc1-c1nnn[n-]1)CC2 ZINC001575223345 948764561 /nfs/dbraw/zinc/76/45/61/948764561.db2.gz AJWSYKIGDWRHFW-HWPZZCPQSA-N -1 1 378.387 1.320 20 0 GDADMM CC(F)(F)CC(=O)N[C@]12CCC[C@H]1N(c1nccnc1-c1nn[n-]n1)CC2 ZINC001575223345 948764565 /nfs/dbraw/zinc/76/45/65/948764565.db2.gz AJWSYKIGDWRHFW-HWPZZCPQSA-N -1 1 378.387 1.320 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ncc(Cl)s1 ZINC001574679072 948768101 /nfs/dbraw/zinc/76/81/01/948768101.db2.gz MRWPILGFXMXNOD-SSDOTTSWSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ncc(Cl)s1 ZINC001574679072 948768114 /nfs/dbraw/zinc/76/81/14/948768114.db2.gz MRWPILGFXMXNOD-SSDOTTSWSA-N -1 1 379.837 1.387 20 0 GDADMM CC(C)c1cccc(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)n1 ZINC001574417461 948769658 /nfs/dbraw/zinc/76/96/58/948769658.db2.gz OFKDDMVWGAJENL-LBPRGKRZSA-N -1 1 379.428 1.502 20 0 GDADMM CC(C)c1cccc(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)n1 ZINC001574417461 948769670 /nfs/dbraw/zinc/76/96/70/948769670.db2.gz OFKDDMVWGAJENL-LBPRGKRZSA-N -1 1 379.428 1.502 20 0 GDADMM C[C@@H](CNC(=O)CCc1cccc(Cl)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574915717 948771308 /nfs/dbraw/zinc/77/13/08/948771308.db2.gz XCEOYIDRZHILTL-NSHDSACASA-N -1 1 386.847 1.860 20 0 GDADMM C[C@@H](CNC(=O)CCc1cccc(Cl)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574915717 948771319 /nfs/dbraw/zinc/77/13/19/948771319.db2.gz XCEOYIDRZHILTL-NSHDSACASA-N -1 1 386.847 1.860 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@H](C)CCNc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001574679286 948772904 /nfs/dbraw/zinc/77/29/04/948772904.db2.gz RXGCSFQAERSIFF-GFCCVEGCSA-N -1 1 381.444 1.796 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@H](C)CCNc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001574679286 948772921 /nfs/dbraw/zinc/77/29/21/948772921.db2.gz RXGCSFQAERSIFF-GFCCVEGCSA-N -1 1 381.444 1.796 20 0 GDADMM CC(C)c1cccc(C(=O)NC[C@H](C)N(C)c2cncc(-c3nnn[n-]3)n2)n1 ZINC001574418545 948780044 /nfs/dbraw/zinc/78/00/44/948780044.db2.gz XZZHTECSWKEZGG-LBPRGKRZSA-N -1 1 381.444 1.430 20 0 GDADMM CC(C)c1cccc(C(=O)NC[C@H](C)N(C)c2cncc(-c3nn[n-]n3)n2)n1 ZINC001574418545 948780059 /nfs/dbraw/zinc/78/00/59/948780059.db2.gz XZZHTECSWKEZGG-LBPRGKRZSA-N -1 1 381.444 1.430 20 0 GDADMM CC(C)[C@@H](F)C(=O)N[C@H](C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574080288 948784953 /nfs/dbraw/zinc/78/49/53/948784953.db2.gz ODTRGSJWARXEHI-IAQYHMDHSA-N -1 1 376.440 1.372 20 0 GDADMM CC(C)[C@@H](F)C(=O)N[C@H](C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574080288 948784962 /nfs/dbraw/zinc/78/49/62/948784962.db2.gz ODTRGSJWARXEHI-IAQYHMDHSA-N -1 1 376.440 1.372 20 0 GDADMM CC(F)(F)C1(C(=O)NCC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001575224431 948785545 /nfs/dbraw/zinc/78/55/45/948785545.db2.gz WFJGFNWHRCXTFM-LLVKDONJSA-N -1 1 392.414 1.425 20 0 GDADMM CC(F)(F)C1(C(=O)NCC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001575224431 948785556 /nfs/dbraw/zinc/78/55/56/948785556.db2.gz WFJGFNWHRCXTFM-LLVKDONJSA-N -1 1 392.414 1.425 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CC[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001575224337 948785975 /nfs/dbraw/zinc/78/59/75/948785975.db2.gz UETLETQOAQATLT-WDEREUQCSA-N -1 1 392.414 1.789 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CC[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575224337 948785988 /nfs/dbraw/zinc/78/59/88/948785988.db2.gz UETLETQOAQATLT-WDEREUQCSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cc(F)c(F)cc1F ZINC001574679621 948788160 /nfs/dbraw/zinc/78/81/60/948788160.db2.gz YXSWPHYDOXBHNY-QMMMGPOBSA-N -1 1 392.345 1.695 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cc(F)c(F)cc1F ZINC001574679621 948788169 /nfs/dbraw/zinc/78/81/69/948788169.db2.gz YXSWPHYDOXBHNY-QMMMGPOBSA-N -1 1 392.345 1.695 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cc(F)c(F)cc1F ZINC001574679620 948789506 /nfs/dbraw/zinc/78/95/06/948789506.db2.gz YXSWPHYDOXBHNY-MRVPVSSYSA-N -1 1 392.345 1.695 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cc(F)c(F)cc1F ZINC001574679620 948789518 /nfs/dbraw/zinc/78/95/18/948789518.db2.gz YXSWPHYDOXBHNY-MRVPVSSYSA-N -1 1 392.345 1.695 20 0 GDADMM CC(C)c1ccccc1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1 ZINC001574419837 948790508 /nfs/dbraw/zinc/79/05/08/948790508.db2.gz KGKYCPZUQXUBTA-KBPBESRZSA-N -1 1 390.451 1.883 20 0 GDADMM CC(C)c1ccccc1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1 ZINC001574419837 948790518 /nfs/dbraw/zinc/79/05/18/948790518.db2.gz KGKYCPZUQXUBTA-KBPBESRZSA-N -1 1 390.451 1.883 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@@H](C)CCNc2cnc(-c3nnn[n-]3)cn2)nc1 ZINC001574679645 948791086 /nfs/dbraw/zinc/79/10/86/948791086.db2.gz ZOHKXYIQOZJSHV-LBPRGKRZSA-N -1 1 381.444 1.796 20 0 GDADMM CC(C)c1ccccc1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574419841 948791128 /nfs/dbraw/zinc/79/11/28/948791128.db2.gz KKLKHBHJKRITFA-ZDUSSCGKSA-N -1 1 378.440 1.789 20 0 GDADMM CC(C)c1ccccc1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574419841 948791140 /nfs/dbraw/zinc/79/11/40/948791140.db2.gz KKLKHBHJKRITFA-ZDUSSCGKSA-N -1 1 378.440 1.789 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@@H](C)CCNc2cnc(-c3nn[n-]n3)cn2)nc1 ZINC001574679645 948791104 /nfs/dbraw/zinc/79/11/04/948791104.db2.gz ZOHKXYIQOZJSHV-LBPRGKRZSA-N -1 1 381.444 1.796 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001575226187 948814624 /nfs/dbraw/zinc/81/46/24/948814624.db2.gz JAYURMFUIKXCDB-SCVCMEIPSA-N -1 1 390.398 1.318 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001575226187 948814638 /nfs/dbraw/zinc/81/46/38/948814638.db2.gz JAYURMFUIKXCDB-SCVCMEIPSA-N -1 1 390.398 1.318 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001575226210 948814680 /nfs/dbraw/zinc/81/46/80/948814680.db2.gz JGBWCOXNIMTUHN-KRWDZBQOSA-N -1 1 392.414 1.521 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001575226210 948814698 /nfs/dbraw/zinc/81/46/98/948814698.db2.gz JGBWCOXNIMTUHN-KRWDZBQOSA-N -1 1 392.414 1.521 20 0 GDADMM CC(C)c1ccoc1C(=O)N(C)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574422069 948830488 /nfs/dbraw/zinc/83/04/88/948830488.db2.gz WMDRLTWDGVQUBK-GFCCVEGCSA-N -1 1 382.428 1.724 20 0 GDADMM CC(C)c1ccoc1C(=O)N(C)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574422069 948830504 /nfs/dbraw/zinc/83/05/04/948830504.db2.gz WMDRLTWDGVQUBK-GFCCVEGCSA-N -1 1 382.428 1.724 20 0 GDADMM CC(C)c1ccoc1C(=O)N(C)CCCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574422375 948834538 /nfs/dbraw/zinc/83/45/38/948834538.db2.gz ZQTRUVKCEQUFFT-UHFFFAOYSA-N -1 1 384.444 1.972 20 0 GDADMM CC(C)c1ccoc1C(=O)N(C)CCCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574422375 948834556 /nfs/dbraw/zinc/83/45/56/948834556.db2.gz ZQTRUVKCEQUFFT-UHFFFAOYSA-N -1 1 384.444 1.972 20 0 GDADMM C[C@@H](CNC(=O)CCCc1ccc(F)cc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574918147 948834679 /nfs/dbraw/zinc/83/46/79/948834679.db2.gz GJHRGGXYEDYWNI-LBPRGKRZSA-N -1 1 384.419 1.157 20 0 GDADMM CC(F)(F)CC(=O)NCCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001575229328 948847623 /nfs/dbraw/zinc/84/76/23/948847623.db2.gz HZNIJKNCXAOFDU-UHFFFAOYSA-N -1 1 380.403 1.425 20 0 GDADMM CC(F)(F)CC(=O)NCCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001575229328 948847639 /nfs/dbraw/zinc/84/76/39/948847639.db2.gz HZNIJKNCXAOFDU-UHFFFAOYSA-N -1 1 380.403 1.425 20 0 GDADMM CC(C)c1ccsc1C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574424349 948849472 /nfs/dbraw/zinc/84/94/72/948849472.db2.gz LQJZMSKAPKVFNB-UHFFFAOYSA-N -1 1 384.469 1.638 20 0 GDADMM CC(C)c1nc(C(=O)NC[C@@H](C)N(C)c2ccnc(-c3nn[n-]n3)n2)cs1 ZINC001574424566 948852104 /nfs/dbraw/zinc/85/21/04/948852104.db2.gz QDNSTWFNEZOUON-SNVBAGLBSA-N -1 1 387.473 1.491 20 0 GDADMM CC(C)c1nc(C(=O)N(C)CCN(C)c2cncc(-c3nnn[n-]3)n2)cs1 ZINC001574424925 948861661 /nfs/dbraw/zinc/86/16/61/948861661.db2.gz XCDMMVCOSGRJIG-UHFFFAOYSA-N -1 1 387.473 1.445 20 0 GDADMM CC(C)c1nc(C(=O)N(C)CCN(C)c2cncc(-c3nn[n-]n3)n2)cs1 ZINC001574424925 948861681 /nfs/dbraw/zinc/86/16/81/948861681.db2.gz XCDMMVCOSGRJIG-UHFFFAOYSA-N -1 1 387.473 1.445 20 0 GDADMM CC(C)(C(=O)N1CC[C@@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1)C(F)F ZINC001573763108 948863157 /nfs/dbraw/zinc/86/31/57/948863157.db2.gz AYHUUGPFTCWYKR-QGZVFWFLSA-N -1 1 392.414 1.377 20 0 GDADMM CC(C)(C(=O)N1CC[C@@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1)C(F)F ZINC001573763108 948863176 /nfs/dbraw/zinc/86/31/76/948863176.db2.gz AYHUUGPFTCWYKR-QGZVFWFLSA-N -1 1 392.414 1.377 20 0 GDADMM C[C@@H](CNC(=O)CCCc1ccccc1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574918998 948863224 /nfs/dbraw/zinc/86/32/24/948863224.db2.gz SZCDXZQAHDWCPL-CQSZACIVSA-N -1 1 380.456 1.844 20 0 GDADMM C[C@@H](CNC(=O)CCCc1ccccc1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574918998 948863242 /nfs/dbraw/zinc/86/32/42/948863242.db2.gz SZCDXZQAHDWCPL-CQSZACIVSA-N -1 1 380.456 1.844 20 0 GDADMM C[C@@H](CNC(=O)CCCc1cccnc1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574919051 948869718 /nfs/dbraw/zinc/86/97/18/948869718.db2.gz VHVDDIWNKIMKEA-CYBMUJFWSA-N -1 1 381.444 1.239 20 0 GDADMM C[C@@H](CNC(=O)CCCc1cccnc1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574919051 948869726 /nfs/dbraw/zinc/86/97/26/948869726.db2.gz VHVDDIWNKIMKEA-CYBMUJFWSA-N -1 1 381.444 1.239 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)[C@H]1CCCCO1 ZINC001573763770 948878159 /nfs/dbraw/zinc/87/81/59/948878159.db2.gz HFHHWJWQVACBLX-GXTWGEPZSA-N -1 1 386.460 1.265 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)[C@H]1CCCCO1 ZINC001573763770 948878183 /nfs/dbraw/zinc/87/81/83/948878183.db2.gz HFHHWJWQVACBLX-GXTWGEPZSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001574684686 948880536 /nfs/dbraw/zinc/88/05/36/948880536.db2.gz KSMCVPSQQMAEKH-HXFLIBJXSA-N -1 1 383.865 1.176 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)CC1(C)C ZINC001575232639 948880589 /nfs/dbraw/zinc/88/05/89/948880589.db2.gz FXAVYQWVGDDZTL-SNVBAGLBSA-N -1 1 380.403 1.423 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)CC1(C)C ZINC001575232639 948880612 /nfs/dbraw/zinc/88/06/12/948880612.db2.gz FXAVYQWVGDDZTL-SNVBAGLBSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)COCC1CC1 ZINC001574684805 948887281 /nfs/dbraw/zinc/88/72/81/948887281.db2.gz MXMFXYBGAFDUDY-QMMMGPOBSA-N -1 1 385.881 1.710 20 0 GDADMM CC(C)c1nc([C@H]2CCCCN2C(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)no1 ZINC001574426639 948892629 /nfs/dbraw/zinc/89/26/29/948892629.db2.gz UNXPCRAGQLETCZ-WDEREUQCSA-N -1 1 386.420 1.279 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H]2[C@H](CCN2c2ccc(-c3nnn[n-]3)nn2)C1)C1CC1 ZINC001573764694 948895026 /nfs/dbraw/zinc/89/50/26/948895026.db2.gz QORXIFIQDHOGNM-IUODEOHRSA-N -1 1 382.472 1.520 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H]2[C@H](CCN2c2ccc(-c3nn[n-]n3)nn2)C1)C1CC1 ZINC001573764694 948895046 /nfs/dbraw/zinc/89/50/46/948895046.db2.gz QORXIFIQDHOGNM-IUODEOHRSA-N -1 1 382.472 1.520 20 0 GDADMM CC(F)(F)CCC(=O)N[C@]12CCC[C@@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001575234328 948900361 /nfs/dbraw/zinc/90/03/61/948900361.db2.gz BAQVGYLGHZIGLO-SJCJKPOMSA-N -1 1 392.414 1.710 20 0 GDADMM CC(F)(F)CCC(=O)N[C@]12CCC[C@@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001575234328 948900370 /nfs/dbraw/zinc/90/03/70/948900370.db2.gz BAQVGYLGHZIGLO-SJCJKPOMSA-N -1 1 392.414 1.710 20 0 GDADMM CC(F)(F)CC(=O)N[C@]12CCC[C@H]1CN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001575234845 948908875 /nfs/dbraw/zinc/90/88/75/948908875.db2.gz HJZIWLSYZNBOGA-QFYYESIMSA-N -1 1 378.387 1.177 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC[C@@H]2[C@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001575235115 948913916 /nfs/dbraw/zinc/91/39/16/948913916.db2.gz IYLWMLHZBWMCEC-CHWSQXEVSA-N -1 1 392.414 1.662 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC[C@@H]2[C@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001575235115 948913930 /nfs/dbraw/zinc/91/39/30/948913930.db2.gz IYLWMLHZBWMCEC-CHWSQXEVSA-N -1 1 392.414 1.662 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@@H](C)[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)s1 ZINC001574428012 948921905 /nfs/dbraw/zinc/92/19/05/948921905.db2.gz XRKSOYLXXPYYLV-UWVGGRQHSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@@H](C)[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)s1 ZINC001574428012 948921915 /nfs/dbraw/zinc/92/19/15/948921915.db2.gz XRKSOYLXXPYYLV-UWVGGRQHSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1ncc(C(=O)NC[C@@H](C)N(C)c2nccnc2-c2nnn[n-]2)s1 ZINC001574428062 948922127 /nfs/dbraw/zinc/92/21/27/948922127.db2.gz YSYUKLOVQSVVLI-SNVBAGLBSA-N -1 1 387.473 1.491 20 0 GDADMM CC(C)c1ncc(C(=O)NC[C@@H](C)N(C)c2nccnc2-c2nn[n-]n2)s1 ZINC001574428062 948922142 /nfs/dbraw/zinc/92/21/42/948922142.db2.gz YSYUKLOVQSVVLI-SNVBAGLBSA-N -1 1 387.473 1.491 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)C1CCOCC1 ZINC001573765764 948923752 /nfs/dbraw/zinc/92/37/52/948923752.db2.gz FBJAYLCHTSGAHF-ZDUSSCGKSA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)C1CCOCC1 ZINC001573765764 948923761 /nfs/dbraw/zinc/92/37/61/948923761.db2.gz FBJAYLCHTSGAHF-ZDUSSCGKSA-N -1 1 386.460 1.122 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@]12CCC[C@@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001575236095 948934136 /nfs/dbraw/zinc/93/41/36/948934136.db2.gz VSAWMXQWLVAPQM-APPDUMDISA-N -1 1 392.414 1.710 20 0 GDADMM CC(C)c1ncncc1C(=O)N(C)[C@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001574432582 948934484 /nfs/dbraw/zinc/93/44/84/948934484.db2.gz NQISTXSKAGKBHL-LLVKDONJSA-N -1 1 382.432 1.143 20 0 GDADMM CC(C)c1ncncc1C(=O)N(C)[C@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001574432582 948934489 /nfs/dbraw/zinc/93/44/89/948934489.db2.gz NQISTXSKAGKBHL-LLVKDONJSA-N -1 1 382.432 1.143 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC[C@H]2[C@@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001575236093 948934952 /nfs/dbraw/zinc/93/49/52/948934952.db2.gz VKZXTCXAZBFVDY-STQMWFEESA-N -1 1 392.414 1.662 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC[C@H]2[C@@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001575236093 948934959 /nfs/dbraw/zinc/93/49/59/948934959.db2.gz VKZXTCXAZBFVDY-STQMWFEESA-N -1 1 392.414 1.662 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N[C@H](C)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574432709 948938683 /nfs/dbraw/zinc/93/86/83/948938683.db2.gz BEUHLZKTILCFDV-WDEREUQCSA-N -1 1 384.448 1.133 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N[C@H](C)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574432709 948938693 /nfs/dbraw/zinc/93/86/93/948938693.db2.gz BEUHLZKTILCFDV-WDEREUQCSA-N -1 1 384.448 1.133 20 0 GDADMM C[C@@H](CNC(=O)CCn1cccc1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574923336 948946567 /nfs/dbraw/zinc/94/65/67/948946567.db2.gz KAJOVXJVLYTDIB-VIFPVBQESA-N -1 1 380.865 1.785 20 0 GDADMM C[C@@H](CNC(=O)CCn1cccc1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574923336 948946579 /nfs/dbraw/zinc/94/65/79/948946579.db2.gz KAJOVXJVLYTDIB-VIFPVBQESA-N -1 1 380.865 1.785 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C12CCC2 ZINC001575237834 948948892 /nfs/dbraw/zinc/94/88/92/948948892.db2.gz IKXOOJPZOYOERI-MNOVXSKESA-N -1 1 392.414 1.931 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C12CCC2 ZINC001575237834 948948905 /nfs/dbraw/zinc/94/89/05/948948905.db2.gz IKXOOJPZOYOERI-MNOVXSKESA-N -1 1 392.414 1.931 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1)C(F)F ZINC001573772122 948953757 /nfs/dbraw/zinc/95/37/57/948953757.db2.gz REUAHFYNEKOZMF-JTQLQIEISA-N -1 1 380.403 1.423 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1)C(F)F ZINC001573772122 948953771 /nfs/dbraw/zinc/95/37/71/948953771.db2.gz REUAHFYNEKOZMF-JTQLQIEISA-N -1 1 380.403 1.423 20 0 GDADMM CC(F)(F)CCC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCCC1 ZINC001575238438 948954582 /nfs/dbraw/zinc/95/45/82/948954582.db2.gz NIVPBVIPYIDAIH-UHFFFAOYSA-N -1 1 380.403 1.933 20 0 GDADMM CC(F)(F)CCC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCCC1 ZINC001575238438 948954593 /nfs/dbraw/zinc/95/45/93/948954593.db2.gz NIVPBVIPYIDAIH-UHFFFAOYSA-N -1 1 380.403 1.933 20 0 GDADMM CC(C)[C@H]1C[C@H](CC(=O)N(C)CCNc2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001574089623 948963406 /nfs/dbraw/zinc/96/34/06/948963406.db2.gz GBDIUWBZHHNZCD-UKRRQHHQSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)[C@H]1C[C@H](CC(=O)N(C)CCNc2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001574089623 948963424 /nfs/dbraw/zinc/96/34/24/948963424.db2.gz GBDIUWBZHHNZCD-UKRRQHHQSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)(C(=O)NC1(CCO)CN(Cc2ccc(-c3nn[n-]n3)s2)C1)C1CC1 ZINC001573772875 948970479 /nfs/dbraw/zinc/97/04/79/948970479.db2.gz XOJIMRFXJOOPDX-UHFFFAOYSA-N -1 1 390.513 1.417 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)NCC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574091768 949030200 /nfs/dbraw/zinc/03/02/00/949030200.db2.gz OMCXFFKOQHIBBY-ZIAGYGMSSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)NCC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574091768 949030216 /nfs/dbraw/zinc/03/02/16/949030216.db2.gz OMCXFFKOQHIBBY-ZIAGYGMSSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)(C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1)C1CCCCC1 ZINC001573775251 949037260 /nfs/dbraw/zinc/03/72/60/949037260.db2.gz UXPLPCWDESLOBB-CYBMUJFWSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)(C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1)C1CCCCC1 ZINC001573775251 949037273 /nfs/dbraw/zinc/03/72/73/949037273.db2.gz UXPLPCWDESLOBB-CYBMUJFWSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)c1occc1C(=O)N1C[C@H](Nc2nccnc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001574441150 949054384 /nfs/dbraw/zinc/05/43/84/949054384.db2.gz GCGQWXRSJLAJEG-AAEUAGOBSA-N -1 1 382.428 1.946 20 0 GDADMM CC(C)c1occc1C(=O)N1C[C@H](Nc2nccnc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001574441150 949054405 /nfs/dbraw/zinc/05/44/05/949054405.db2.gz GCGQWXRSJLAJEG-AAEUAGOBSA-N -1 1 382.428 1.946 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001574441807 949075679 /nfs/dbraw/zinc/07/56/79/949075679.db2.gz XUUWEMYOVJFMQI-LLVKDONJSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001574441807 949075696 /nfs/dbraw/zinc/07/56/96/949075696.db2.gz XUUWEMYOVJFMQI-LLVKDONJSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1nocc1C(=O)NC1CC(CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574441853 949082695 /nfs/dbraw/zinc/08/26/95/949082695.db2.gz CNNPDKKWCXOTAS-UHFFFAOYSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1nocc1C(=O)NC1CC(CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574441853 949082722 /nfs/dbraw/zinc/08/27/22/949082722.db2.gz CNNPDKKWCXOTAS-UHFFFAOYSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1nocc1C(=O)N1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574441974 949087034 /nfs/dbraw/zinc/08/70/34/949087034.db2.gz HLMXYCKTGNXCIZ-NSHDSACASA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1nocc1C(=O)N1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574441974 949087054 /nfs/dbraw/zinc/08/70/54/949087054.db2.gz HLMXYCKTGNXCIZ-NSHDSACASA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001574442006 949087594 /nfs/dbraw/zinc/08/75/94/949087594.db2.gz IRIHHYOMFLTKBD-NSHDSACASA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001574442006 949087611 /nfs/dbraw/zinc/08/76/11/949087611.db2.gz IRIHHYOMFLTKBD-NSHDSACASA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1CCC1 ZINC001573780347 949088276 /nfs/dbraw/zinc/08/82/76/949088276.db2.gz WQDISWPLROSLNF-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1CCC1 ZINC001573780347 949088292 /nfs/dbraw/zinc/08/82/92/949088292.db2.gz WQDISWPLROSLNF-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)C(F)F ZINC001573781355 949102488 /nfs/dbraw/zinc/10/24/88/949102488.db2.gz FNYJPQRSQMSAKT-VHSXEESVSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)C(F)F ZINC001573781355 949102496 /nfs/dbraw/zinc/10/24/96/949102496.db2.gz FNYJPQRSQMSAKT-VHSXEESVSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)c1occc1C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001574446811 949141483 /nfs/dbraw/zinc/14/14/83/949141483.db2.gz XEOCJQYGEFRPRC-BXUZGUMPSA-N -1 1 382.428 1.628 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1ncsc1C1CC1 ZINC001574696827 949141578 /nfs/dbraw/zinc/14/15/78/949141578.db2.gz VLOSHRZHMZSFMJ-VIFPVBQESA-N -1 1 385.457 1.611 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1ncsc1C1CC1 ZINC001574696827 949141591 /nfs/dbraw/zinc/14/15/91/949141591.db2.gz VLOSHRZHMZSFMJ-VIFPVBQESA-N -1 1 385.457 1.611 20 0 GDADMM CC(C)c1occc1C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001574446811 949141492 /nfs/dbraw/zinc/14/14/92/949141492.db2.gz XEOCJQYGEFRPRC-BXUZGUMPSA-N -1 1 382.428 1.628 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H](C)Cc1ccccc1 ZINC001574696870 949145970 /nfs/dbraw/zinc/14/59/70/949145970.db2.gz WJDAEYYARAHWKT-KBPBESRZSA-N -1 1 380.456 1.842 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H](C)Cc1ccccc1 ZINC001574696870 949145981 /nfs/dbraw/zinc/14/59/81/949145981.db2.gz WJDAEYYARAHWKT-KBPBESRZSA-N -1 1 380.456 1.842 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574447498 949161232 /nfs/dbraw/zinc/16/12/32/949161232.db2.gz QAUYREQJRLNGTC-UHFFFAOYSA-N -1 1 383.416 1.121 20 0 GDADMM C[C@H](NC(=O)C1(F)CCCC1)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575252802 949169884 /nfs/dbraw/zinc/16/98/84/949169884.db2.gz HMAQSGYRCZPHCO-STQMWFEESA-N -1 1 388.451 1.660 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)C1CC1)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575253005 949174810 /nfs/dbraw/zinc/17/48/10/949174810.db2.gz RJGSGWIMEWWWMH-OLZOCXBDSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)C1CC1)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575253005 949174823 /nfs/dbraw/zinc/17/48/23/949174823.db2.gz RJGSGWIMEWWWMH-OLZOCXBDSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](NC(=O)C1(C2CC2)CC1)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575252858 949175137 /nfs/dbraw/zinc/17/51/37/949175137.db2.gz IEDKJAALMNNMJU-CHWSQXEVSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](NC(=O)C1(C2CC2)CC1)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575252858 949175153 /nfs/dbraw/zinc/17/51/53/949175153.db2.gz IEDKJAALMNNMJU-CHWSQXEVSA-N -1 1 382.472 1.568 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cccnc1 ZINC001573787574 949183190 /nfs/dbraw/zinc/18/31/90/949183190.db2.gz XKPJILVAIOGLQW-JOCQHMNTSA-N -1 1 379.428 1.089 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cccnc1 ZINC001573787574 949183209 /nfs/dbraw/zinc/18/32/09/949183209.db2.gz XKPJILVAIOGLQW-JOCQHMNTSA-N -1 1 379.428 1.089 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H](F)CC1CCCCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574698298 949183778 /nfs/dbraw/zinc/18/37/78/949183778.db2.gz IWMIEIXOGNVPQF-TZMCWYRMSA-N -1 1 390.467 1.646 20 0 GDADMM CC(C)c1oncc1C(=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574449429 949202372 /nfs/dbraw/zinc/20/23/72/949202372.db2.gz RYJMOKXFKXPXAS-LLVKDONJSA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1oncc1C(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574449429 949202388 /nfs/dbraw/zinc/20/23/88/949202388.db2.gz RYJMOKXFKXPXAS-LLVKDONJSA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1oncc1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001574451095 949213607 /nfs/dbraw/zinc/21/36/07/949213607.db2.gz BNMMLPDJMYSZGD-PWSUYJOCSA-N -1 1 383.416 1.165 20 0 GDADMM O=C([O-])c1ccc(C(=O)N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)cn1 ZINC001595215339 949215028 /nfs/dbraw/zinc/21/50/28/949215028.db2.gz YUOCPCRBCOBNDO-RTBURBONSA-N -1 1 381.432 1.895 20 0 GDADMM CC(C)c1scnc1C(=O)NCC[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574451312 949226023 /nfs/dbraw/zinc/22/60/23/949226023.db2.gz LZMURRURXYTOLS-JTQLQIEISA-N -1 1 387.473 1.279 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001574451320 949229263 /nfs/dbraw/zinc/22/92/63/949229263.db2.gz MESYQBWQDDSHRC-ZDUSSCGKSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001574451320 949229274 /nfs/dbraw/zinc/22/92/74/949229274.db2.gz MESYQBWQDDSHRC-ZDUSSCGKSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CCC(C)(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575854082 949229886 /nfs/dbraw/zinc/22/98/86/949229886.db2.gz RXOIQAYPVZIHAK-CHWSQXEVSA-N -1 1 384.488 1.554 20 0 GDADMM CC(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573792306 949242284 /nfs/dbraw/zinc/24/22/84/949242284.db2.gz NJJFROZXIWPKAP-ABHRYQDASA-N -1 1 382.472 1.376 20 0 GDADMM CC(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573792306 949242307 /nfs/dbraw/zinc/24/23/07/949242307.db2.gz NJJFROZXIWPKAP-ABHRYQDASA-N -1 1 382.472 1.376 20 0 GDADMM CC(C)n1cc(C(=O)N2CCC[C@H]2CNc2cnc(-c3nnn[n-]3)cn2)cn1 ZINC001574451920 949246288 /nfs/dbraw/zinc/24/62/88/949246288.db2.gz AHAOITKTEVCFJR-ZDUSSCGKSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1cc(C(=O)N2CCC[C@H]2CNc2cnc(-c3nn[n-]n3)cn2)cn1 ZINC001574451920 949246308 /nfs/dbraw/zinc/24/63/08/949246308.db2.gz AHAOITKTEVCFJR-ZDUSSCGKSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@@H]1CCC[C@@]1(C)C(=O)N(C)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001576152341 949247935 /nfs/dbraw/zinc/24/79/35/949247935.db2.gz IPWLRNWMPVQDJV-BFUOFWGJSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCC[C@@]1(C)C(=O)N(C)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001576152341 949247954 /nfs/dbraw/zinc/24/79/54/949247954.db2.gz IPWLRNWMPVQDJV-BFUOFWGJSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)n1cc(C(=O)NC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C2CC2)cn1 ZINC001574452449 949259486 /nfs/dbraw/zinc/25/94/86/949259486.db2.gz JICHDHYVYHGQGK-CYBMUJFWSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cc(C(=O)NC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C2CC2)cn1 ZINC001574452449 949259507 /nfs/dbraw/zinc/25/95/07/949259507.db2.gz JICHDHYVYHGQGK-CYBMUJFWSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@H](CN(C)C(=O)C1(C(F)(F)F)CCC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574701766 949269924 /nfs/dbraw/zinc/26/99/24/949269924.db2.gz CTTAVGNHTUMZGW-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](CN(C)C(=O)C1(C(F)(F)F)CCC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574701766 949269947 /nfs/dbraw/zinc/26/99/47/949269947.db2.gz CTTAVGNHTUMZGW-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(Cl)c1)CNc1nccnc1-c1nnn[n-]1 ZINC001574940710 949274460 /nfs/dbraw/zinc/27/44/60/949274460.db2.gz IMQYBYNBNOSCKR-NSHDSACASA-N -1 1 386.847 1.717 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(Cl)c1)CNc1nccnc1-c1nn[n-]n1 ZINC001574940710 949274474 /nfs/dbraw/zinc/27/44/74/949274474.db2.gz IMQYBYNBNOSCKR-NSHDSACASA-N -1 1 386.847 1.717 20 0 GDADMM CC(C)(C)C(=O)C(=O)NCC1(Nc2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC001573793051 949283521 /nfs/dbraw/zinc/28/35/21/949283521.db2.gz JHEJTWFKHBJUDG-UHFFFAOYSA-N -1 1 383.865 1.653 20 0 GDADMM CC(C)(C)C(=O)C(=O)NCC1(Nc2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC001573793051 949283535 /nfs/dbraw/zinc/28/35/35/949283535.db2.gz JHEJTWFKHBJUDG-UHFFFAOYSA-N -1 1 383.865 1.653 20 0 GDADMM C[C@@H]1CCC[C@@H](C(=O)NCCCN(c2nccnc2-c2nnn[n-]2)C2CC2)C1 ZINC001576153343 949286920 /nfs/dbraw/zinc/28/69/20/949286920.db2.gz LZKBCQTXEIBGTH-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCC[C@@H](C(=O)NCCCN(c2nccnc2-c2nn[n-]n2)C2CC2)C1 ZINC001576153343 949286948 /nfs/dbraw/zinc/28/69/48/949286948.db2.gz LZKBCQTXEIBGTH-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](NC(=O)C1CC2(C1)CCOCC2)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575258127 949294608 /nfs/dbraw/zinc/29/46/08/949294608.db2.gz DZXVDGOGXGOQQH-VXGBXAGGSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@@H](NC(=O)C1CC2(C1)CCOCC2)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575258127 949294629 /nfs/dbraw/zinc/29/46/29/949294629.db2.gz DZXVDGOGXGOQQH-VXGBXAGGSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@H](CNC(=O)Cc1ccoc1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001574941152 949294765 /nfs/dbraw/zinc/29/47/65/949294765.db2.gz BFCLPWCYCGKONV-MRVPVSSYSA-N -1 1 381.849 1.977 20 0 GDADMM C[C@H](CNC(=O)Cc1ccoc1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001574941152 949294791 /nfs/dbraw/zinc/29/47/91/949294791.db2.gz BFCLPWCYCGKONV-MRVPVSSYSA-N -1 1 381.849 1.977 20 0 GDADMM C[C@@H](NC(=O)C1CC(C)(C)C1)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575258493 949301220 /nfs/dbraw/zinc/30/12/20/949301220.db2.gz IFFULXZRFFFEBB-OLZOCXBDSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](NC(=O)C1CC(C)(C)C1)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575258493 949301240 /nfs/dbraw/zinc/30/12/40/949301240.db2.gz IFFULXZRFFFEBB-OLZOCXBDSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H]1CCC[C@@H](C(=O)NCC2CCN(c3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001576153932 949307181 /nfs/dbraw/zinc/30/71/81/949307181.db2.gz NVMAZERNQAJVHO-DZGCQCFKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H]1CCC[C@@H](C(=O)NCC2CCN(c3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001576153932 949307205 /nfs/dbraw/zinc/30/72/05/949307205.db2.gz NVMAZERNQAJVHO-DZGCQCFKSA-N -1 1 384.488 1.816 20 0 GDADMM CC1=C(C)C[C@@H](C(=O)N(C)[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001575861225 949319233 /nfs/dbraw/zinc/31/92/33/949319233.db2.gz QJRWKDBCYYDTIZ-LSDHHAIUSA-N -1 1 382.472 1.830 20 0 GDADMM CC1=C(C)C[C@@H](C(=O)N(C)[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001575861225 949319254 /nfs/dbraw/zinc/31/92/54/949319254.db2.gz QJRWKDBCYYDTIZ-LSDHHAIUSA-N -1 1 382.472 1.830 20 0 GDADMM C[C@@H](NC(=O)C1CC2(CC2)C1)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575259433 949329435 /nfs/dbraw/zinc/32/94/35/949329435.db2.gz OGHVHAJWOYOOCR-OLZOCXBDSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](NC(=O)C1CC2(CC2)C1)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575259433 949329460 /nfs/dbraw/zinc/32/94/60/949329460.db2.gz OGHVHAJWOYOOCR-OLZOCXBDSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](CNC(=O)Cc1cccnc1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574942145 949339509 /nfs/dbraw/zinc/33/95/09/949339509.db2.gz WMGXSJIHYQVQBR-MRVPVSSYSA-N -1 1 378.849 1.531 20 0 GDADMM C[C@H](CNC(=O)Cc1cccnc1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574942145 949339524 /nfs/dbraw/zinc/33/95/24/949339524.db2.gz WMGXSJIHYQVQBR-MRVPVSSYSA-N -1 1 378.849 1.531 20 0 GDADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)C1CCC(F)(F)CC1 ZINC001575259926 949342131 /nfs/dbraw/zinc/34/21/31/949342131.db2.gz SLQOBMZVDNAOEN-ZJUUUORDSA-N -1 1 380.403 1.209 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc2c(c1)CCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574942297 949347466 /nfs/dbraw/zinc/34/74/66/949347466.db2.gz XYRBNMJLOIYHBT-GFCCVEGCSA-N -1 1 378.440 1.305 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc2c(c1)CCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574942297 949347486 /nfs/dbraw/zinc/34/74/86/949347486.db2.gz XYRBNMJLOIYHBT-GFCCVEGCSA-N -1 1 378.440 1.305 20 0 GDADMM C[C@@H](NC(=O)C1=CCOCC1)[C@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575260902 949366057 /nfs/dbraw/zinc/36/60/57/949366057.db2.gz YJZKRCVCFDIRDN-SFYZADRCSA-N -1 1 383.865 1.628 20 0 GDADMM C[C@@H](NC(=O)C1=CCOCC1)[C@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575260902 949366081 /nfs/dbraw/zinc/36/60/81/949366081.db2.gz YJZKRCVCFDIRDN-SFYZADRCSA-N -1 1 383.865 1.628 20 0 GDADMM C[C@@H](NC(=O)C1CC(C)(C)C1)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575260896 949370110 /nfs/dbraw/zinc/37/01/10/949370110.db2.gz YJCMINACZQMWNK-OLZOCXBDSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574463795 949383171 /nfs/dbraw/zinc/38/31/71/949383171.db2.gz ANJUQTORGAXSKQ-BETUJISGSA-N -1 1 381.444 1.660 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574463795 949383194 /nfs/dbraw/zinc/38/31/94/949383194.db2.gz ANJUQTORGAXSKQ-BETUJISGSA-N -1 1 381.444 1.660 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2(C(F)F)CC2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575865829 949385217 /nfs/dbraw/zinc/38/52/17/949385217.db2.gz BZQQGOBGCKXYNN-NXEZZACHSA-N -1 1 378.387 1.176 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2(C(F)F)CC2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575865829 949385238 /nfs/dbraw/zinc/38/52/38/949385238.db2.gz BZQQGOBGCKXYNN-NXEZZACHSA-N -1 1 378.387 1.176 20 0 GDADMM CC1(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001575528015 949385896 /nfs/dbraw/zinc/38/58/96/949385896.db2.gz KXAPWAAWXFRPAG-DTORHVGOSA-N -1 1 379.877 1.956 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574704490 949386679 /nfs/dbraw/zinc/38/66/79/949386679.db2.gz NLIAKYTVPZZHGE-NYTXWWLZSA-N -1 1 384.488 1.554 20 0 GDADMM C[C@H](CNC(=O)Cc1cnoc1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574944391 949392244 /nfs/dbraw/zinc/39/22/44/949392244.db2.gz CNSARGNEECOFOS-SSDOTTSWSA-N -1 1 382.837 1.372 20 0 GDADMM C[C@H](CNC(=O)Cc1cnoc1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574944391 949392269 /nfs/dbraw/zinc/39/22/69/949392269.db2.gz CNSARGNEECOFOS-SSDOTTSWSA-N -1 1 382.837 1.372 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C(C2CC2)C2CC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575866082 949393152 /nfs/dbraw/zinc/39/31/52/949393152.db2.gz CNTHKTYERKVHJO-RISCZKNCSA-N -1 1 382.472 1.566 20 0 GDADMM CC(C)n1cnc(C(=O)N2CCC(Nc3cnc(-c4nnn[n-]4)cn3)CC2)c1 ZINC001574464375 949410659 /nfs/dbraw/zinc/41/06/59/949410659.db2.gz MJPJQUJWULTCKT-UHFFFAOYSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1cnc(C(=O)N2CCC(Nc3cnc(-c4nn[n-]n4)cn3)CC2)c1 ZINC001574464375 949410677 /nfs/dbraw/zinc/41/06/77/949410677.db2.gz MJPJQUJWULTCKT-UHFFFAOYSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@H](CN(C)C(=O)C1(c2cccnc2)CC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574705195 949415359 /nfs/dbraw/zinc/41/53/59/949415359.db2.gz SBPATGTWBZCNRZ-GFCCVEGCSA-N -1 1 379.428 1.042 20 0 GDADMM C[C@H](CN(C)C(=O)C1(c2cccnc2)CC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574705195 949415374 /nfs/dbraw/zinc/41/53/74/949415374.db2.gz SBPATGTWBZCNRZ-GFCCVEGCSA-N -1 1 379.428 1.042 20 0 GDADMM CC1(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001575533322 949416689 /nfs/dbraw/zinc/41/66/89/949416689.db2.gz GWEKNUYVRMCJIO-OKILXGFUSA-N -1 1 382.472 1.807 20 0 GDADMM C[C@H]1C(=O)Nc2ccccc2CN1C(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001575867105 949430575 /nfs/dbraw/zinc/43/05/75/949430575.db2.gz XSXZKRSNOGLKCT-VIFPVBQESA-N -1 1 383.799 1.898 20 0 GDADMM C[C@@H](NC(=O)CC(C)(C)C(F)(F)F)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575264748 949432307 /nfs/dbraw/zinc/43/23/07/949432307.db2.gz PYCNDRFEXCCGKC-DTWKUNHWSA-N -1 1 386.382 1.940 20 0 GDADMM C[C@@H](NC(=O)CC(C)(C)C(F)(F)F)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575264748 949432315 /nfs/dbraw/zinc/43/23/15/949432315.db2.gz PYCNDRFEXCCGKC-DTWKUNHWSA-N -1 1 386.382 1.940 20 0 GDADMM CC[C@@H]1CCCN(C(C)(C)CNC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C1 ZINC001589623511 949444575 /nfs/dbraw/zinc/44/45/75/949444575.db2.gz UKTVSQGJDRPDCL-CQSZACIVSA-N -1 1 388.530 1.283 20 0 GDADMM C[C@@H](NC(=O)C1CCOCC1)[C@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575265543 949446812 /nfs/dbraw/zinc/44/68/12/949446812.db2.gz UNWOHRAXQMOSEU-SFYZADRCSA-N -1 1 385.881 1.708 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cn[nH]c1 ZINC001576158437 949495840 /nfs/dbraw/zinc/49/58/40/949495840.db2.gz STNDYJOYUQFTBO-DIFFPNOSSA-N -1 1 382.432 1.171 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cn[nH]c1 ZINC001576158437 949495852 /nfs/dbraw/zinc/49/58/52/949495852.db2.gz STNDYJOYUQFTBO-DIFFPNOSSA-N -1 1 382.432 1.171 20 0 GDADMM C[C@H](CC(=O)N(C)[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001574470384 949500773 /nfs/dbraw/zinc/50/07/73/949500773.db2.gz BVWRMMGRFMYHQQ-ZIAGYGMSSA-N -1 1 380.456 1.531 20 0 GDADMM C[C@@H]1CCC[C@@H]1CC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001576159038 949511660 /nfs/dbraw/zinc/51/16/60/949511660.db2.gz VYTIKYFPDDQAOZ-ZIAGYGMSSA-N -1 1 384.488 1.746 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CC(C)(C)O ZINC001576158996 949512612 /nfs/dbraw/zinc/51/26/12/949512612.db2.gz VOZTWNVAJSUEDL-KZULUSFZSA-N -1 1 388.476 1.295 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CC(C)(C)O ZINC001576158996 949512623 /nfs/dbraw/zinc/51/26/23/949512623.db2.gz VOZTWNVAJSUEDL-KZULUSFZSA-N -1 1 388.476 1.295 20 0 GDADMM C[C@H](CC(=O)N(C)C1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001574470784 949513969 /nfs/dbraw/zinc/51/39/69/949513969.db2.gz GTHSQOOVPGVNTQ-LRVUVFPRSA-N -1 1 384.488 1.696 20 0 GDADMM C[C@H](CNC(=O)[C@@H](C)Cc1ccccc1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574950019 949522232 /nfs/dbraw/zinc/52/22/32/949522232.db2.gz JSFXPXUGPPKIGC-UONOGXRCSA-N -1 1 380.456 1.476 20 0 GDADMM C[C@H](CNC(=O)[C@@H](C)Cc1ccccc1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574950019 949522242 /nfs/dbraw/zinc/52/22/42/949522242.db2.gz JSFXPXUGPPKIGC-UONOGXRCSA-N -1 1 380.456 1.476 20 0 GDADMM C[C@H]1CCCN(C(=O)C2(CCF)CC2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576163370 949530218 /nfs/dbraw/zinc/53/02/18/949530218.db2.gz AQEBPQIJUKHISN-GXTWGEPZSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@H]1CCCN(C(=O)C2(CCF)CC2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576163370 949530236 /nfs/dbraw/zinc/53/02/36/949530236.db2.gz AQEBPQIJUKHISN-GXTWGEPZSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001574950702 949541541 /nfs/dbraw/zinc/54/15/41/949541541.db2.gz SFEFGNOPOTVISL-JTQLQIEISA-N -1 1 376.421 1.639 20 0 GDADMM C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001574950702 949541560 /nfs/dbraw/zinc/54/15/60/949541560.db2.gz SFEFGNOPOTVISL-JTQLQIEISA-N -1 1 376.421 1.639 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC2(C)CC2)[C@@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576164584 949558399 /nfs/dbraw/zinc/55/83/99/949558399.db2.gz HOLZZHRTCSUMOR-ZIAGYGMSSA-N -1 1 384.488 1.698 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C=Cc2ccco2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575872875 949561935 /nfs/dbraw/zinc/56/19/35/949561935.db2.gz LUPDWOUOFQISLE-LQGBBJIQSA-N -1 1 380.412 1.437 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C=Cc2ccco2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575872875 949561954 /nfs/dbraw/zinc/56/19/54/949561954.db2.gz LUPDWOUOFQISLE-LQGBBJIQSA-N -1 1 380.412 1.437 20 0 GDADMM C[C@H]1CCCC[C@H]1OCC(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001576166042 949572480 /nfs/dbraw/zinc/57/24/80/949572480.db2.gz KYSHMNLBXYPQGH-DZGCQCFKSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@H]1CCCC[C@H]1OCC(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001576166042 949572490 /nfs/dbraw/zinc/57/24/90/949572490.db2.gz KYSHMNLBXYPQGH-DZGCQCFKSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@H](CC(=O)N(C)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001574476039 949586526 /nfs/dbraw/zinc/58/65/26/949586526.db2.gz FFBFRBLIASKGDG-CHWSQXEVSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@H](CC(=O)N(C)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001574476039 949586552 /nfs/dbraw/zinc/58/65/52/949586552.db2.gz FFBFRBLIASKGDG-CHWSQXEVSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@@H](NC(=O)CCCc1cccnc1)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575270314 949588552 /nfs/dbraw/zinc/58/85/52/949588552.db2.gz CEQGARMOTZZBPS-CHWSQXEVSA-N -1 1 381.444 1.380 20 0 GDADMM C[C@@H](NC(=O)CCCc1cccnc1)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575270314 949588569 /nfs/dbraw/zinc/58/85/69/949588569.db2.gz CEQGARMOTZZBPS-CHWSQXEVSA-N -1 1 381.444 1.380 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2CCC=CCC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575874531 949614183 /nfs/dbraw/zinc/61/41/83/949614183.db2.gz STRVVCYDIHZJNV-HIFRSBDPSA-N -1 1 382.472 1.877 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2CCC=CCC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575874531 949614193 /nfs/dbraw/zinc/61/41/93/949614193.db2.gz STRVVCYDIHZJNV-HIFRSBDPSA-N -1 1 382.472 1.877 20 0 GDADMM C[C@H](CNC(=O)[C@H](C)OCc1ccccc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574957941 949640901 /nfs/dbraw/zinc/64/09/01/949640901.db2.gz JRHCWKIFKGNAJF-OLZOCXBDSA-N -1 1 382.428 1.179 20 0 GDADMM C[C@H](CNC(=O)[C@H](C)OCc1ccccc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574957941 949640916 /nfs/dbraw/zinc/64/09/16/949640916.db2.gz JRHCWKIFKGNAJF-OLZOCXBDSA-N -1 1 382.428 1.179 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CCC(C)(F)F)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575876167 949641481 /nfs/dbraw/zinc/64/14/81/949641481.db2.gz XABRVQWUQFOAIS-QWRGUYRKSA-N -1 1 380.403 1.566 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CCC(C)(F)F)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575876167 949641497 /nfs/dbraw/zinc/64/14/97/949641497.db2.gz XABRVQWUQFOAIS-QWRGUYRKSA-N -1 1 380.403 1.566 20 0 GDADMM C[C@H]1[C@H](NC(=O)Cc2ccccc2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575876279 949647575 /nfs/dbraw/zinc/64/75/75/949647575.db2.gz JSSSDSMZLOPRGT-DZGCQCFKSA-N -1 1 378.440 1.373 20 0 GDADMM C[C@H]1[C@H](NC(=O)Cc2ccccc2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575876279 949647591 /nfs/dbraw/zinc/64/75/91/949647591.db2.gz JSSSDSMZLOPRGT-DZGCQCFKSA-N -1 1 378.440 1.373 20 0 GDADMM C[C@@H]1CCCC[C@@H]1CC(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001576168844 949647943 /nfs/dbraw/zinc/64/79/43/949647943.db2.gz GZBMOXPWBAWMNR-OSHGBCRDSA-N -1 1 382.472 1.424 20 0 GDADMM C[C@@H]1CCCC[C@@H]1CC(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001576168844 949647957 /nfs/dbraw/zinc/64/79/57/949647957.db2.gz GZBMOXPWBAWMNR-OSHGBCRDSA-N -1 1 382.472 1.424 20 0 GDADMM C[C@H]1CCCN(C(=O)C2C=CC=CC=C2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576168790 949648044 /nfs/dbraw/zinc/64/80/44/949648044.db2.gz WBHSPFRFECCKER-YOEHRIQHSA-N -1 1 392.467 1.994 20 0 GDADMM C[C@H]1CCCN(C(=O)C2C=CC=CC=C2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576168790 949648059 /nfs/dbraw/zinc/64/80/59/949648059.db2.gz WBHSPFRFECCKER-YOEHRIQHSA-N -1 1 392.467 1.994 20 0 GDADMM C[C@H](CC(=O)N(C)CCCN(C)c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCCO1 ZINC001574477302 949648402 /nfs/dbraw/zinc/64/84/02/949648402.db2.gz PYCLOCZZAUDQIH-UKRRQHHQSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@H](CC(=O)N(C)CCCN(C)c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCCO1 ZINC001574477302 949648416 /nfs/dbraw/zinc/64/84/16/949648416.db2.gz PYCLOCZZAUDQIH-UKRRQHHQSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@H](CN(C)C(=O)CC1(O)CCC1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574715318 949651863 /nfs/dbraw/zinc/65/18/63/949651863.db2.gz IQJGIYLKRGALJZ-MRVPVSSYSA-N -1 1 385.881 1.541 20 0 GDADMM C[C@H](CN(C)C(=O)CC1(O)CCC1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574715318 949651877 /nfs/dbraw/zinc/65/18/77/949651877.db2.gz IQJGIYLKRGALJZ-MRVPVSSYSA-N -1 1 385.881 1.541 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CC2CC(C)(C)C2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575876861 949652922 /nfs/dbraw/zinc/65/29/22/949652922.db2.gz YSQWPEZJJYFITF-JSGCOSHPSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CC2CC(C)(C)C2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575876861 949652936 /nfs/dbraw/zinc/65/29/36/949652936.db2.gz YSQWPEZJJYFITF-JSGCOSHPSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@@H]1CCc2ccccc21)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574715468 949653012 /nfs/dbraw/zinc/65/30/12/949653012.db2.gz CYLRTRDKYLGLAX-HIFRSBDPSA-N -1 1 392.467 1.458 20 0 GDADMM C[C@H]1[C@H](NC(=O)CC2CC(C)(C)C2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575876859 949654328 /nfs/dbraw/zinc/65/43/28/949654328.db2.gz YSQWPEZJJYFITF-GXTWGEPZSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H]1[C@H](NC(=O)CC2CC(C)(C)C2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575876859 949654337 /nfs/dbraw/zinc/65/43/37/949654337.db2.gz YSQWPEZJJYFITF-GXTWGEPZSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H](CNC(=O)[C@]12C[C@H]1COC2)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574958202 949655672 /nfs/dbraw/zinc/65/56/72/949655672.db2.gz NWONROIPDUJUJN-KXEKKFMESA-N -1 1 383.865 1.177 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCCC1(C)C ZINC001573815836 949662173 /nfs/dbraw/zinc/66/21/73/949662173.db2.gz KLQQJLIHOIEUNX-CHWSQXEVSA-N -1 1 386.504 1.848 20 0 GDADMM C[C@H](CN(C)C(=O)CC[C@H]1CC(C)(C)CO1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574715741 949666645 /nfs/dbraw/zinc/66/66/45/949666645.db2.gz GBJJHOKJJOIZGY-OLZOCXBDSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CN(C)C(=O)CC[C@H]1CC(C)(C)CO1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574715741 949666661 /nfs/dbraw/zinc/66/66/61/949666661.db2.gz GBJJHOKJJOIZGY-OLZOCXBDSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574958427 949670913 /nfs/dbraw/zinc/67/09/13/949670913.db2.gz JMRQRFALEBKDIM-AEGPPILISA-N -1 1 378.440 1.047 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@@H]1CCCOC1 ZINC001573816924 949687863 /nfs/dbraw/zinc/68/78/63/949687863.db2.gz VOFBLIDYPKIBSC-JSGCOSHPSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@@H]1CCCOC1 ZINC001573816924 949687876 /nfs/dbraw/zinc/68/78/76/949687876.db2.gz VOFBLIDYPKIBSC-JSGCOSHPSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@@H]1CCCOC1 ZINC001573816923 949688001 /nfs/dbraw/zinc/68/80/01/949688001.db2.gz VOFBLIDYPKIBSC-GXTWGEPZSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@@H]1CCCOC1 ZINC001573816923 949688019 /nfs/dbraw/zinc/68/80/19/949688019.db2.gz VOFBLIDYPKIBSC-GXTWGEPZSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@H]1CCCOC1 ZINC001573816925 949688454 /nfs/dbraw/zinc/68/84/54/949688454.db2.gz VOFBLIDYPKIBSC-OCCSQVGLSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@H]1CCCOC1 ZINC001573816925 949688477 /nfs/dbraw/zinc/68/84/77/949688477.db2.gz VOFBLIDYPKIBSC-OCCSQVGLSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@H](NC(=O)CCc1ccccc1F)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575274580 949689518 /nfs/dbraw/zinc/68/95/18/949689518.db2.gz APLADRMITGNRCL-RYUDHWBXSA-N -1 1 384.419 1.734 20 0 GDADMM C[C@H](NC(=O)CCc1ccccc1F)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575274580 949689536 /nfs/dbraw/zinc/68/95/36/949689536.db2.gz APLADRMITGNRCL-RYUDHWBXSA-N -1 1 384.419 1.734 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CCc1ccoc1 ZINC001573816920 949690330 /nfs/dbraw/zinc/69/03/30/949690330.db2.gz VNORYPHWZMOYRG-CQSZACIVSA-N -1 1 384.444 1.825 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CCc1ccoc1 ZINC001573816920 949690347 /nfs/dbraw/zinc/69/03/47/949690347.db2.gz VNORYPHWZMOYRG-CQSZACIVSA-N -1 1 384.444 1.825 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccsc1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574959049 949703270 /nfs/dbraw/zinc/70/32/70/949703270.db2.gz PWDHUWNRCMUWBP-WCFLWFBJSA-N -1 1 384.469 1.463 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@H]1CCOC1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574716706 949703827 /nfs/dbraw/zinc/70/38/27/949703827.db2.gz LEEYYZWNAYXTLF-DTWKUNHWSA-N -1 1 385.881 1.662 20 0 GDADMM CC1(C(=O)N2C[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@@]3(C)C2)CC=CC1 ZINC001575557124 949705349 /nfs/dbraw/zinc/70/53/49/949705349.db2.gz ATIAAMYHICRXEP-YJYMSZOUSA-N -1 1 380.456 1.298 20 0 GDADMM CC1(C(=O)N2C[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@@]3(C)C2)CC=CC1 ZINC001575557124 949705369 /nfs/dbraw/zinc/70/53/69/949705369.db2.gz ATIAAMYHICRXEP-YJYMSZOUSA-N -1 1 380.456 1.298 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574959089 949705594 /nfs/dbraw/zinc/70/55/94/949705594.db2.gz YOULGCPZIGIMSO-PTAUBWNISA-N -1 1 378.440 1.551 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574959089 949705602 /nfs/dbraw/zinc/70/56/02/949705602.db2.gz YOULGCPZIGIMSO-PTAUBWNISA-N -1 1 378.440 1.551 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@H]1CCC(F)(F)C1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574716837 949708168 /nfs/dbraw/zinc/70/81/68/949708168.db2.gz RFCUAJKUADLTBK-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@H]1CCC(F)(F)C1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574716837 949708179 /nfs/dbraw/zinc/70/81/79/949708179.db2.gz RFCUAJKUADLTBK-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CN(C)C(=O)CC[C@H]1CC(C)(C)CO1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574716909 949713077 /nfs/dbraw/zinc/71/30/77/949713077.db2.gz MPGLXWDFOFKCLW-STQMWFEESA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CN(C)C(=O)CC[C@H]1CC(C)(C)CO1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574716909 949713094 /nfs/dbraw/zinc/71/30/94/949713094.db2.gz MPGLXWDFOFKCLW-STQMWFEESA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001574133492 949715036 /nfs/dbraw/zinc/71/50/36/949715036.db2.gz FGCUGECUJVKIRH-SOUVJXGZSA-N -1 1 384.488 1.624 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001574133492 949715045 /nfs/dbraw/zinc/71/50/45/949715045.db2.gz FGCUGECUJVKIRH-SOUVJXGZSA-N -1 1 384.488 1.624 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N1CCO[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574134722 949722590 /nfs/dbraw/zinc/72/25/90/949722590.db2.gz ITJJFTIGVMICST-KBPBESRZSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N1CCO[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574134722 949722608 /nfs/dbraw/zinc/72/26/08/949722608.db2.gz ITJJFTIGVMICST-KBPBESRZSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cc1ccccc1 ZINC001573818698 949742577 /nfs/dbraw/zinc/74/25/77/949742577.db2.gz OJQHDIIZPGWRIG-OAHLLOKOSA-N -1 1 380.456 1.842 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cc1ccccc1 ZINC001573818698 949742594 /nfs/dbraw/zinc/74/25/94/949742594.db2.gz OJQHDIIZPGWRIG-OAHLLOKOSA-N -1 1 380.456 1.842 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001573818950 949744733 /nfs/dbraw/zinc/74/47/33/949744733.db2.gz PJMSRROVUPZWLL-RFHZTLPTSA-N -1 1 386.460 1.167 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001573818950 949744745 /nfs/dbraw/zinc/74/47/45/949744745.db2.gz PJMSRROVUPZWLL-RFHZTLPTSA-N -1 1 386.460 1.167 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C[C@@](C)(O)C1CC1 ZINC001573819261 949749273 /nfs/dbraw/zinc/74/92/73/949749273.db2.gz RSXIRHZOPFASFQ-SCLBCKFNSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@@](C)(O)C1CC1 ZINC001573819261 949749290 /nfs/dbraw/zinc/74/92/90/949749290.db2.gz RSXIRHZOPFASFQ-SCLBCKFNSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CC[C@@H]1CCOC1 ZINC001573819807 949760978 /nfs/dbraw/zinc/76/09/78/949760978.db2.gz VOVFNHNWYHHHMO-OCCSQVGLSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CC[C@@H]1CCOC1 ZINC001573819807 949760994 /nfs/dbraw/zinc/76/09/94/949760994.db2.gz VOVFNHNWYHHHMO-OCCSQVGLSA-N -1 1 388.476 1.416 20 0 GDADMM CC1(C(=O)N2C[C@H]3CCN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]3C2)CCCCC1 ZINC001575559849 949767126 /nfs/dbraw/zinc/76/71/26/949767126.db2.gz YEIVSSHRZUFOGK-CABCVRRESA-N -1 1 396.499 1.912 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001574137761 949768243 /nfs/dbraw/zinc/76/82/43/949768243.db2.gz XEOGJWUJXORQHY-ZFWWWQNUSA-N -1 1 386.504 1.800 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CCC1(F)F ZINC001573821777 949777589 /nfs/dbraw/zinc/77/75/89/949777589.db2.gz DGVNBUZFPUUWSE-ZJUUUORDSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CCC1(F)F ZINC001573821777 949777607 /nfs/dbraw/zinc/77/76/07/949777607.db2.gz DGVNBUZFPUUWSE-ZJUUUORDSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@H]1CCCN(C(=O)COC(C)(C)C)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576171795 949780771 /nfs/dbraw/zinc/78/07/71/949780771.db2.gz SKFVFDHWLRQWJJ-STQMWFEESA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H]1CCCN(C(=O)COC(C)(C)C)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576171795 949780787 /nfs/dbraw/zinc/78/07/87/949780787.db2.gz SKFVFDHWLRQWJJ-STQMWFEESA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CN(C)C(=O)CC[C@@H]1CC(C)(C)CO1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574718495 949781040 /nfs/dbraw/zinc/78/10/40/949781040.db2.gz YBBFJNDUIUDUOL-QWHCGFSZSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CN(C)C(=O)CC[C@@H]1CC(C)(C)CO1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574718495 949781057 /nfs/dbraw/zinc/78/10/57/949781057.db2.gz YBBFJNDUIUDUOL-QWHCGFSZSA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@@H]1CCCCO1 ZINC001573822107 949784872 /nfs/dbraw/zinc/78/48/72/949784872.db2.gz FNMNQJIAPZKVCK-QWHCGFSZSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@@H]1CCCCO1 ZINC001573822107 949784885 /nfs/dbraw/zinc/78/48/85/949784885.db2.gz FNMNQJIAPZKVCK-QWHCGFSZSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccncc1 ZINC001574481551 949788932 /nfs/dbraw/zinc/78/89/32/949788932.db2.gz RLEBYCYXTZDCDJ-TZMCWYRMSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccncc1 ZINC001574481551 949788943 /nfs/dbraw/zinc/78/89/43/949788943.db2.gz RLEBYCYXTZDCDJ-TZMCWYRMSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1ccco1 ZINC001574481560 949789102 /nfs/dbraw/zinc/78/91/02/949789102.db2.gz RNMMOFKBEOVCTE-CHWSQXEVSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574481560 949789116 /nfs/dbraw/zinc/78/91/16/949789116.db2.gz RNMMOFKBEOVCTE-CHWSQXEVSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccncc1 ZINC001574481550 949790169 /nfs/dbraw/zinc/79/01/69/949790169.db2.gz RLEBYCYXTZDCDJ-OCCSQVGLSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccncc1 ZINC001574481550 949790189 /nfs/dbraw/zinc/79/01/89/949790189.db2.gz RLEBYCYXTZDCDJ-OCCSQVGLSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@H]1CCCN(C(=O)COCC2CC2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576172308 949802830 /nfs/dbraw/zinc/80/28/30/949802830.db2.gz WGNXAJFVKMTJGC-JSGCOSHPSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H]1CCCN(C(=O)COCC2CC2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576172308 949802850 /nfs/dbraw/zinc/80/28/50/949802850.db2.gz WGNXAJFVKMTJGC-JSGCOSHPSA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)(C)[C@H](CNc1ncccc1-c1nn[nH]n1)NC(=O)c1ncccc1[O-] ZINC001573823020 949812843 /nfs/dbraw/zinc/81/28/43/949812843.db2.gz PWUXHLHESZYYST-ZDUSSCGKSA-N -1 1 382.428 1.619 20 0 GDADMM C[C@H](CN(C)C(=O)CCCc1cccnc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574721197 949813219 /nfs/dbraw/zinc/81/32/19/949813219.db2.gz KJTXTGKERFSSKL-CYBMUJFWSA-N -1 1 381.444 1.333 20 0 GDADMM C[C@H](CN(C)C(=O)CCCc1cccnc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574721197 949813241 /nfs/dbraw/zinc/81/32/41/949813241.db2.gz KJTXTGKERFSSKL-CYBMUJFWSA-N -1 1 381.444 1.333 20 0 GDADMM CC1(C(=O)N[C@@H]2CC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CC(F)(F)C1 ZINC001575561905 949817726 /nfs/dbraw/zinc/81/77/26/949817726.db2.gz DKTBTXVKUNCKHY-GHMZBOCLSA-N -1 1 392.414 1.789 20 0 GDADMM CC1(C(=O)N[C@@H]2CC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CC(F)(F)C1 ZINC001575561905 949817746 /nfs/dbraw/zinc/81/77/46/949817746.db2.gz DKTBTXVKUNCKHY-GHMZBOCLSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@@H]1CCCN(C(=O)CCC(F)F)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576172829 949819801 /nfs/dbraw/zinc/81/98/01/949819801.db2.gz YNQVCDVZZBYJKH-PWSUYJOCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H]1CCCN(C(=O)CCC(F)F)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576172829 949819817 /nfs/dbraw/zinc/81/98/17/949819817.db2.gz YNQVCDVZZBYJKH-PWSUYJOCSA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001574139964 949823817 /nfs/dbraw/zinc/82/38/17/949823817.db2.gz MEKDONUFLDOMOQ-TUVASFSCSA-N -1 1 384.488 1.527 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001574139964 949823843 /nfs/dbraw/zinc/82/38/43/949823843.db2.gz MEKDONUFLDOMOQ-TUVASFSCSA-N -1 1 384.488 1.527 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cc(Cl)no1 ZINC001573823376 949832072 /nfs/dbraw/zinc/83/20/72/949832072.db2.gz VSQALYWRBYTMET-SNVBAGLBSA-N -1 1 391.823 1.555 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cc(Cl)no1 ZINC001573823376 949832092 /nfs/dbraw/zinc/83/20/92/949832092.db2.gz VSQALYWRBYTMET-SNVBAGLBSA-N -1 1 391.823 1.555 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CCc1ccon1 ZINC001573823481 949837159 /nfs/dbraw/zinc/83/71/59/949837159.db2.gz XMFJOORBZUEPPS-LBPRGKRZSA-N -1 1 385.432 1.220 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CCc1ccon1 ZINC001573823481 949837195 /nfs/dbraw/zinc/83/71/95/949837195.db2.gz XMFJOORBZUEPPS-LBPRGKRZSA-N -1 1 385.432 1.220 20 0 GDADMM CC(C)(C)C1CC(C(=O)NC[C@H]2CCCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573824550 949850984 /nfs/dbraw/zinc/85/09/84/949850984.db2.gz GUNVHEKTWOEEGW-JXQTWKCFSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)C1CC(C(=O)NC[C@H]2CCCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573824550 949851007 /nfs/dbraw/zinc/85/10/07/949851007.db2.gz GUNVHEKTWOEEGW-JXQTWKCFSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](CC(=O)N1CCCCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001574484628 949892024 /nfs/dbraw/zinc/89/20/24/949892024.db2.gz KXQPJRFJHATBJD-ZFWWWQNUSA-N -1 1 384.488 1.698 20 0 GDADMM CCCCn1nc(C)c(-c2cc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)n[nH]2)c1C ZINC001589666810 949896917 /nfs/dbraw/zinc/89/69/17/949896917.db2.gz AUBAZJPIVBASBY-OAHLLOKOSA-N -1 1 375.429 1.616 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(C(F)F)CC2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576179319 949912497 /nfs/dbraw/zinc/91/24/97/949912497.db2.gz KTMLVSAPTQODTH-GHMZBOCLSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(C(F)F)CC2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576179319 949912509 /nfs/dbraw/zinc/91/25/09/949912509.db2.gz KTMLVSAPTQODTH-GHMZBOCLSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001574485003 949913817 /nfs/dbraw/zinc/91/38/17/949913817.db2.gz UKMWQTSSMDYBQF-NXEZZACHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001574485003 949913846 /nfs/dbraw/zinc/91/38/46/949913846.db2.gz UKMWQTSSMDYBQF-NXEZZACHSA-N -1 1 384.366 1.648 20 0 GDADMM CC1(C(=O)NC2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)CC(F)(F)C1 ZINC001575570602 949943689 /nfs/dbraw/zinc/94/36/89/949943689.db2.gz SVVKWSJRRSQCQJ-UHFFFAOYSA-N -1 1 378.387 1.177 20 0 GDADMM CC(C)(C)/C=C\C(=O)N1CC[C@@H]2[C@@H](CCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573829399 949956596 /nfs/dbraw/zinc/95/65/96/949956596.db2.gz YYYGHCHDVHAWSJ-NBVGUUKWSA-N -1 1 382.472 1.686 20 0 GDADMM CC(C)(C)/C=C\C(=O)N1CC[C@@H]2[C@@H](CCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573829399 949956608 /nfs/dbraw/zinc/95/66/08/949956608.db2.gz YYYGHCHDVHAWSJ-NBVGUUKWSA-N -1 1 382.472 1.686 20 0 GDADMM CC1(C)CN(c2nccnc2-c2nnn[n-]2)C[C@@H]1NC(=O)[C@@]1(C)CC=CCC1 ZINC001575572638 949980192 /nfs/dbraw/zinc/98/01/92/949980192.db2.gz HWKZTQFHQCCSPG-DJJJIMSYSA-N -1 1 382.472 1.734 20 0 GDADMM CC1(C)CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1NC(=O)[C@@]1(C)CC=CCC1 ZINC001575572638 949980219 /nfs/dbraw/zinc/98/02/19/949980219.db2.gz HWKZTQFHQCCSPG-DJJJIMSYSA-N -1 1 382.472 1.734 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001574490347 949992388 /nfs/dbraw/zinc/99/23/88/949992388.db2.gz QCUPNNFKJGUCOI-FXPVBKGRSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001574490347 949992402 /nfs/dbraw/zinc/99/24/02/949992402.db2.gz QCUPNNFKJGUCOI-FXPVBKGRSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2ccc(Cl)o2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575891285 949997011 /nfs/dbraw/zinc/99/70/11/949997011.db2.gz HIWKFDVXPHZDED-UWVGGRQHSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@@H]1CCN(C(=O)C2C=CC=CC=C2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576181641 950014527 /nfs/dbraw/zinc/01/45/27/950014527.db2.gz IOMFVSJODWLMKJ-ZBFHGGJFSA-N -1 1 392.467 1.852 20 0 GDADMM C[C@@H]1CCN(C(=O)C2C=CC=CC=C2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576181641 950014548 /nfs/dbraw/zinc/01/45/48/950014548.db2.gz IOMFVSJODWLMKJ-ZBFHGGJFSA-N -1 1 392.467 1.852 20 0 GDADMM C[C@@H]1CCN(C(=O)CC2CCCC2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576181662 950014888 /nfs/dbraw/zinc/01/48/88/950014888.db2.gz IQOJFDNFTVFHPR-UKRRQHHQSA-N -1 1 384.488 1.555 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1c(F)cccc1F)Nc1nccnc1-c1nnn[n-]1 ZINC001574731574 950058223 /nfs/dbraw/zinc/05/82/23/950058223.db2.gz XLSPWJONRDIVOP-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1c(F)cccc1F)Nc1nccnc1-c1nn[n-]n1 ZINC001574731574 950058247 /nfs/dbraw/zinc/05/82/47/950058247.db2.gz XLSPWJONRDIVOP-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H]1CCN(C(=O)C2CC3(CC3)C2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576183327 950082199 /nfs/dbraw/zinc/08/21/99/950082199.db2.gz PIKCGKXHDMDENW-GXTWGEPZSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@H]1CCN(C(=O)C2CC3(CC3)C2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576183327 950082221 /nfs/dbraw/zinc/08/22/21/950082221.db2.gz PIKCGKXHDMDENW-GXTWGEPZSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@H](CC(=O)NC[C@H](C)N(C)c1cnc(-c2nnn[n-]2)cn1)c1ccncc1 ZINC001574492561 950093291 /nfs/dbraw/zinc/09/32/91/950093291.db2.gz BGYHMCGLDSBWIY-OLZOCXBDSA-N -1 1 381.444 1.186 20 0 GDADMM C[C@H](CC(=O)NC[C@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1)c1ccncc1 ZINC001574492561 950093312 /nfs/dbraw/zinc/09/33/12/950093312.db2.gz BGYHMCGLDSBWIY-OLZOCXBDSA-N -1 1 381.444 1.186 20 0 GDADMM C[C@H]1CCN(C(=O)Cc2ccco2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576183616 950096250 /nfs/dbraw/zinc/09/62/50/950096250.db2.gz QRWMBCSNDVPRML-QWHCGFSZSA-N -1 1 382.428 1.389 20 0 GDADMM C[C@H]1CCN(C(=O)Cc2ccco2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576183616 950096263 /nfs/dbraw/zinc/09/62/63/950096263.db2.gz QRWMBCSNDVPRML-QWHCGFSZSA-N -1 1 382.428 1.389 20 0 GDADMM C[C@@H]1CCN(C(=O)CCC(F)F)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576183611 950098671 /nfs/dbraw/zinc/09/86/71/950098671.db2.gz QPPZRVSSCALZKG-MNOVXSKESA-N -1 1 380.403 1.020 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cc[nH]c2)[C@@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001576183718 950099731 /nfs/dbraw/zinc/09/97/31/950099731.db2.gz SYOZKAGOQXNQCK-TZMCWYRMSA-N -1 1 381.444 1.728 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cc[nH]c2)[C@@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001576183718 950099746 /nfs/dbraw/zinc/09/97/46/950099746.db2.gz SYOZKAGOQXNQCK-TZMCWYRMSA-N -1 1 381.444 1.728 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cc[nH]c2)[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576184589 950132723 /nfs/dbraw/zinc/13/27/23/950132723.db2.gz WRXUUKJMPLUXJE-OCCSQVGLSA-N -1 1 381.444 1.150 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(F)CCCC2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576184639 950138062 /nfs/dbraw/zinc/13/80/62/950138062.db2.gz WMKCBWQYKXWFBQ-OLZOCXBDSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(F)CCCC2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576184639 950138075 /nfs/dbraw/zinc/13/80/75/950138075.db2.gz WMKCBWQYKXWFBQ-OLZOCXBDSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@@H]1CCN(C(=O)CCC2CCC2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576184945 950146764 /nfs/dbraw/zinc/14/67/64/950146764.db2.gz YVYBOWVYZWFCPM-HIFRSBDPSA-N -1 1 384.488 1.555 20 0 GDADMM C[C@@H]1CCN(C(=O)Cc2ccc[nH]2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576184910 950147034 /nfs/dbraw/zinc/14/70/34/950147034.db2.gz YBDRQZQDGUAWCT-OLZOCXBDSA-N -1 1 381.444 1.124 20 0 GDADMM C[C@@H]1CCN(C(=O)Cc2ccc[nH]2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576184910 950147041 /nfs/dbraw/zinc/14/70/41/950147041.db2.gz YBDRQZQDGUAWCT-OLZOCXBDSA-N -1 1 381.444 1.124 20 0 GDADMM CC(C)(C)CC[C@H](NS(=O)(=O)Cc1csc(-c2nn[n-]n2)c1)C(N)=O ZINC001573843470 950177297 /nfs/dbraw/zinc/17/72/97/950177297.db2.gz ZDKVPYSGWQEURQ-JTQLQIEISA-N -1 1 386.503 1.028 20 0 GDADMM C[C@H](CC(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1)n1cccc1 ZINC001574494789 950183515 /nfs/dbraw/zinc/18/35/15/950183515.db2.gz OKLXJKQAARKDPZ-CYBMUJFWSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](CC(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1)n1cccc1 ZINC001574494789 950183528 /nfs/dbraw/zinc/18/35/28/950183528.db2.gz OKLXJKQAARKDPZ-CYBMUJFWSA-N -1 1 381.444 1.195 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CCc1ccoc1 ZINC001574155650 950203239 /nfs/dbraw/zinc/20/32/39/950203239.db2.gz PLQWZNWJJRUKJL-AWEZNQCLSA-N -1 1 384.444 1.825 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CCc1ccoc1 ZINC001574155650 950203257 /nfs/dbraw/zinc/20/32/57/950203257.db2.gz PLQWZNWJJRUKJL-AWEZNQCLSA-N -1 1 384.444 1.825 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1)n1cccc1 ZINC001574496513 950218356 /nfs/dbraw/zinc/21/83/56/950218356.db2.gz XDIGGZJDLFYTFH-TZMCWYRMSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1)n1cccc1 ZINC001574496513 950218372 /nfs/dbraw/zinc/21/83/72/950218372.db2.gz XDIGGZJDLFYTFH-TZMCWYRMSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](CC(=O)NC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1)C(F)(F)F ZINC001574496449 950218433 /nfs/dbraw/zinc/21/84/33/950218433.db2.gz WCQQRVKWUCEAAF-SCZZXKLOSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](CC(=O)NC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1)C(F)(F)F ZINC001574496449 950218453 /nfs/dbraw/zinc/21/84/53/950218453.db2.gz WCQQRVKWUCEAAF-SCZZXKLOSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)CC1(C)C)C1CC1 ZINC001574497036 950220738 /nfs/dbraw/zinc/22/07/38/950220738.db2.gz YIVSLIRZSVBQSC-TZMCWYRMSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)CC1(C)C)C1CC1 ZINC001574497036 950220760 /nfs/dbraw/zinc/22/07/60/950220760.db2.gz YIVSLIRZSVBQSC-TZMCWYRMSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCCC12CC2 ZINC001574156110 950220998 /nfs/dbraw/zinc/22/09/98/950220998.db2.gz WXLYHQUKULXRAN-UONOGXRCSA-N -1 1 384.488 1.602 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H](CO)Nc1snc(Cl)c1-c1nnn[n-]1)C1CC1 ZINC001574496986 950224377 /nfs/dbraw/zinc/22/43/77/950224377.db2.gz YBBMRBVHJQEMMR-CBAPKCEASA-N -1 1 385.881 1.302 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H](CO)Nc1snc(Cl)c1-c1nn[n-]n1)C1CC1 ZINC001574496986 950224393 /nfs/dbraw/zinc/22/43/93/950224393.db2.gz YBBMRBVHJQEMMR-CBAPKCEASA-N -1 1 385.881 1.302 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CCn1cccc1 ZINC001574156132 950230043 /nfs/dbraw/zinc/23/00/43/950230043.db2.gz XIEPXPLBZOZUBM-AWEZNQCLSA-N -1 1 383.460 1.491 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CCn1cccc1 ZINC001574156132 950230060 /nfs/dbraw/zinc/23/00/60/950230060.db2.gz XIEPXPLBZOZUBM-AWEZNQCLSA-N -1 1 383.460 1.491 20 0 GDADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccc(F)s1 ZINC001574157650 950246124 /nfs/dbraw/zinc/24/61/24/950246124.db2.gz FVRAMTQABQYYBA-SNVBAGLBSA-N -1 1 390.448 1.536 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCC1)[C@@H]1CCCO1 ZINC001574497872 950248648 /nfs/dbraw/zinc/24/86/48/950248648.db2.gz FNLDLSCPOFJJEU-JSGCOSHPSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCC1)[C@@H]1CCCO1 ZINC001574497872 950248666 /nfs/dbraw/zinc/24/86/66/950248666.db2.gz FNLDLSCPOFJJEU-JSGCOSHPSA-N -1 1 386.460 1.313 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C[C@H]1CCCCO1 ZINC001574157883 950258968 /nfs/dbraw/zinc/25/89/68/950258968.db2.gz KMZRFCJKISXETJ-UONOGXRCSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@H]1CCCCO1 ZINC001574157883 950258989 /nfs/dbraw/zinc/25/89/89/950258989.db2.gz KMZRFCJKISXETJ-UONOGXRCSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H]1CCN(C(=O)c2cc(F)c[nH]2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576193445 950304064 /nfs/dbraw/zinc/30/40/64/950304064.db2.gz UXGYPJIAURGSOE-WDEREUQCSA-N -1 1 385.407 1.334 20 0 GDADMM C[C@H]1CCN(C(=O)c2cc(F)c[nH]2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576193445 950304088 /nfs/dbraw/zinc/30/40/88/950304088.db2.gz UXGYPJIAURGSOE-WDEREUQCSA-N -1 1 385.407 1.334 20 0 GDADMM C[C@@H](CC(=O)NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccco1 ZINC001574500036 950309088 /nfs/dbraw/zinc/30/90/88/950309088.db2.gz XZFCNSBIQINNGY-HIFPTAJRSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](CC(=O)NCC1CC(Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574500036 950309108 /nfs/dbraw/zinc/30/91/08/950309108.db2.gz XZFCNSBIQINNGY-HIFPTAJRSA-N -1 1 382.428 1.750 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1Cc2ccccc21 ZINC001574159738 950318433 /nfs/dbraw/zinc/31/84/33/950318433.db2.gz HXBKFZRIYKDTJT-GOEBONIOSA-N -1 1 392.467 1.939 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1Cc2ccccc21 ZINC001574159738 950318455 /nfs/dbraw/zinc/31/84/55/950318455.db2.gz HXBKFZRIYKDTJT-GOEBONIOSA-N -1 1 392.467 1.939 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001574501226 950328360 /nfs/dbraw/zinc/32/83/60/950328360.db2.gz BOLMQPICVUVNNX-GOEBONIOSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001574501226 950328380 /nfs/dbraw/zinc/32/83/80/950328380.db2.gz BOLMQPICVUVNNX-GOEBONIOSA-N -1 1 392.467 1.936 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C1(C(F)F)CC1 ZINC001574160140 950333054 /nfs/dbraw/zinc/33/30/54/950333054.db2.gz LQJOLLWVZFKXOZ-SNVBAGLBSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C1(C(F)F)CC1 ZINC001574160140 950333079 /nfs/dbraw/zinc/33/30/79/950333079.db2.gz LQJOLLWVZFKXOZ-SNVBAGLBSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1)n1cccc1 ZINC001574501945 950349761 /nfs/dbraw/zinc/34/97/61/950349761.db2.gz HWKMFGJMIHIVAQ-ZIAGYGMSSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1)n1cccc1 ZINC001574501945 950349781 /nfs/dbraw/zinc/34/97/81/950349781.db2.gz HWKMFGJMIHIVAQ-ZIAGYGMSSA-N -1 1 381.444 1.195 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ncccc1F ZINC001574162083 950372457 /nfs/dbraw/zinc/37/24/57/950372457.db2.gz YWLQRYYLEPGSQY-NSHDSACASA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ncccc1F ZINC001574162083 950372476 /nfs/dbraw/zinc/37/24/76/950372476.db2.gz YWLQRYYLEPGSQY-NSHDSACASA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C1(C)CCOCC1 ZINC001574162525 950384011 /nfs/dbraw/zinc/38/40/11/950384011.db2.gz CIZAEFXOAYHZBV-CYBMUJFWSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C1(C)CCOCC1 ZINC001574162525 950384034 /nfs/dbraw/zinc/38/40/34/950384034.db2.gz CIZAEFXOAYHZBV-CYBMUJFWSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc(C(C)(C)C)n[nH]1)Nc1nccnc1-c1nnn[n-]1 ZINC001574745861 950390097 /nfs/dbraw/zinc/39/00/97/950390097.db2.gz LEXIWNQKTZVTQH-SNVBAGLBSA-N -1 1 384.448 1.250 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc(C(C)(C)C)n[nH]1)Nc1nccnc1-c1nn[n-]n1 ZINC001574745861 950390118 /nfs/dbraw/zinc/39/01/18/950390118.db2.gz LEXIWNQKTZVTQH-SNVBAGLBSA-N -1 1 384.448 1.250 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001574502836 950391534 /nfs/dbraw/zinc/39/15/34/950391534.db2.gz QXBKUIXHPNIISO-UWVGGRQHSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574502836 950391549 /nfs/dbraw/zinc/39/15/49/950391549.db2.gz QXBKUIXHPNIISO-UWVGGRQHSA-N -1 1 384.366 1.188 20 0 GDADMM CC1(C(=O)NCCC2(CNc3ccc(-c4nnn[n-]4)nn3)CC2)CCOCC1 ZINC001575597033 950396776 /nfs/dbraw/zinc/39/67/76/950396776.db2.gz XFQVADBGXVTKTK-UHFFFAOYSA-N -1 1 386.460 1.172 20 0 GDADMM CC1(C(=O)NCCC2(CNc3ccc(-c4nn[n-]n4)nn3)CC2)CCOCC1 ZINC001575597033 950396796 /nfs/dbraw/zinc/39/67/96/950396796.db2.gz XFQVADBGXVTKTK-UHFFFAOYSA-N -1 1 386.460 1.172 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC001574503305 950403005 /nfs/dbraw/zinc/40/30/05/950403005.db2.gz UJZCPDQSLBXLEE-JSGCOSHPSA-N -1 1 390.513 1.681 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574503975 950423555 /nfs/dbraw/zinc/42/35/55/950423555.db2.gz ZBCYGGKSLBANNL-ZIAGYGMSSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc2n(c1)CCCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574750652 950435231 /nfs/dbraw/zinc/43/52/31/950435231.db2.gz FKVUIYSAFJICJR-LBPRGKRZSA-N -1 1 381.444 1.367 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc2n(c1)CCCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574750652 950435242 /nfs/dbraw/zinc/43/52/42/950435242.db2.gz FKVUIYSAFJICJR-LBPRGKRZSA-N -1 1 381.444 1.367 20 0 GDADMM Cc1nc([C@@H]2CCCN(C(=O)C3=NN(c4ccccc4)[C@@H](C(=O)[O-])C3)C2)n[nH]1 ZINC000263415867 950448369 /nfs/dbraw/zinc/44/83/69/950448369.db2.gz JXNKTMUGVKGAHI-CZUORRHYSA-N -1 1 382.424 1.539 20 0 GDADMM CC(C)CC1(C(=O)NC[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCC1 ZINC001574165529 950448757 /nfs/dbraw/zinc/44/87/57/950448757.db2.gz GKTDKAFNEOMLRI-OKILXGFUSA-N -1 1 384.488 1.602 20 0 GDADMM CC(C)CC1(C(=O)NCCN(c2ccnc(-c3nn[n-]n3)n2)C2CC2)CCC1 ZINC001574165546 950448811 /nfs/dbraw/zinc/44/88/11/950448811.db2.gz HDBRUNHJCDAKQG-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CC(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1)c1cccc(F)c1 ZINC001574507701 950462100 /nfs/dbraw/zinc/46/21/00/950462100.db2.gz HNRMJOOWSPKVAY-GFCCVEGCSA-N -1 1 384.419 1.542 20 0 GDADMM C[C@H](CC(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1)c1cccc(F)c1 ZINC001574507701 950462120 /nfs/dbraw/zinc/46/21/20/950462120.db2.gz HNRMJOOWSPKVAY-GFCCVEGCSA-N -1 1 384.419 1.542 20 0 GDADMM CC(C)CC1(C(=O)N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)CCCC1 ZINC001574166719 950476501 /nfs/dbraw/zinc/47/65/01/950476501.db2.gz WQLXTDZKZKSIHH-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)CC1(C(=O)N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)CCCC1 ZINC001574166719 950476510 /nfs/dbraw/zinc/47/65/10/950476510.db2.gz WQLXTDZKZKSIHH-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@@H](CC(=O)NCCNc1snc(Cl)c1-c1nnn[n-]1)[C@H]1CCCO1 ZINC001574508214 950478400 /nfs/dbraw/zinc/47/84/00/950478400.db2.gz KVPFKIVJBHWNIH-DTWKUNHWSA-N -1 1 385.881 1.710 20 0 GDADMM C[C@@H](CC(=O)NCCNc1snc(Cl)c1-c1nn[n-]n1)[C@H]1CCCO1 ZINC001574508214 950478411 /nfs/dbraw/zinc/47/84/11/950478411.db2.gz KVPFKIVJBHWNIH-DTWKUNHWSA-N -1 1 385.881 1.710 20 0 GDADMM CC(C)(C)OC(=O)[C@H]1C[C@@H](NC(=O)NCc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573864016 950492632 /nfs/dbraw/zinc/49/26/32/950492632.db2.gz WKKSKIRXBHSNGA-AOOOYVTPSA-N -1 1 378.458 1.848 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)Cc1cccc(F)c1 ZINC001575915367 950510378 /nfs/dbraw/zinc/51/03/78/950510378.db2.gz MVUBDIQQJSHWSY-BXUZGUMPSA-N -1 1 382.403 1.440 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)Cc1cccc(F)c1 ZINC001575915367 950510389 /nfs/dbraw/zinc/51/03/89/950510389.db2.gz MVUBDIQQJSHWSY-BXUZGUMPSA-N -1 1 382.403 1.440 20 0 GDADMM CC(C)c1ccc(C(=O)N(C)C[C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)cn1 ZINC001574753374 950521643 /nfs/dbraw/zinc/52/16/43/950521643.db2.gz LRFDBYTUUCMZPZ-GFCCVEGCSA-N -1 1 381.444 1.748 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cc(C2CC2)no1 ZINC001575915718 950521630 /nfs/dbraw/zinc/52/16/30/950521630.db2.gz OAEXHDKGWASGNP-ONGXEEELSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cc(C2CC2)no1 ZINC001575915718 950521650 /nfs/dbraw/zinc/52/16/50/950521650.db2.gz OAEXHDKGWASGNP-ONGXEEELSA-N -1 1 381.400 1.237 20 0 GDADMM CC(C)c1ccc(C(=O)N(C)C[C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)cn1 ZINC001574753374 950521660 /nfs/dbraw/zinc/52/16/60/950521660.db2.gz LRFDBYTUUCMZPZ-GFCCVEGCSA-N -1 1 381.444 1.748 20 0 GDADMM CC(C)(C)OCC(=O)N1CCC(CCNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573867140 950522722 /nfs/dbraw/zinc/52/27/22/950522722.db2.gz QKEKQIALTIMNSJ-UHFFFAOYSA-N -1 1 388.476 1.512 20 0 GDADMM CC(C)(C)OCC(=O)N1CCC(CCNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573867140 950522735 /nfs/dbraw/zinc/52/27/35/950522735.db2.gz QKEKQIALTIMNSJ-UHFFFAOYSA-N -1 1 388.476 1.512 20 0 GDADMM CC(C)(C)OCC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001573867300 950528987 /nfs/dbraw/zinc/52/89/87/950528987.db2.gz UTCCWGLLSXLJAN-OLZOCXBDSA-N -1 1 386.460 1.042 20 0 GDADMM CC(C)(C)OCC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001573867306 950530240 /nfs/dbraw/zinc/53/02/40/950530240.db2.gz VAVVEJBCPYHROQ-OLZOCXBDSA-N -1 1 386.460 1.042 20 0 GDADMM CC(C)(C)OCC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001573867306 950530253 /nfs/dbraw/zinc/53/02/53/950530253.db2.gz VAVVEJBCPYHROQ-OLZOCXBDSA-N -1 1 386.460 1.042 20 0 GDADMM CC(C)CCC(=O)N1C[C@@H]2CCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@H]2C1 ZINC001574170037 950531756 /nfs/dbraw/zinc/53/17/56/950531756.db2.gz DPHJKNTZSKCHFE-KKUMJFAQSA-N -1 1 384.488 1.554 20 0 GDADMM C[C@@H](CNC(=O)c1cc(-n2cccc2)ccn1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574997715 950549301 /nfs/dbraw/zinc/54/93/01/950549301.db2.gz XCNIBOPQXIIHDD-LBPRGKRZSA-N -1 1 390.411 1.073 20 0 GDADMM C[C@@H](CNC(=O)c1cc(-n2cccc2)ccn1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574997715 950549312 /nfs/dbraw/zinc/54/93/12/950549312.db2.gz XCNIBOPQXIIHDD-LBPRGKRZSA-N -1 1 390.411 1.073 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCCC(F)(F)F ZINC001575917345 950563496 /nfs/dbraw/zinc/56/34/96/950563496.db2.gz WQSZCXLHBXACBO-NXEZZACHSA-N -1 1 384.366 1.791 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCCC(F)(F)F ZINC001575917345 950563511 /nfs/dbraw/zinc/56/35/11/950563511.db2.gz WQSZCXLHBXACBO-NXEZZACHSA-N -1 1 384.366 1.791 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc2c(c1)CCO2)Nc1nccnc1-c1nnn[n-]1 ZINC001574754184 950563639 /nfs/dbraw/zinc/56/36/39/950563639.db2.gz ZNXPEEJMTXLDNS-LLVKDONJSA-N -1 1 380.412 1.164 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc2c(c1)CCO2)Nc1nccnc1-c1nn[n-]n1 ZINC001574754184 950563654 /nfs/dbraw/zinc/56/36/54/950563654.db2.gz ZNXPEEJMTXLDNS-LLVKDONJSA-N -1 1 380.412 1.164 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)C1Cc2ccccc2C1 ZINC001575917405 950572008 /nfs/dbraw/zinc/57/20/08/950572008.db2.gz XJIOPWGMMJQRNJ-BLLLJJGKSA-N -1 1 390.451 1.473 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)C1Cc2ccccc2C1 ZINC001575917405 950572032 /nfs/dbraw/zinc/57/20/32/950572032.db2.gz XJIOPWGMMJQRNJ-BLLLJJGKSA-N -1 1 390.451 1.473 20 0 GDADMM CC(C)(C)OCC(=O)N[C@]12CCC[C@@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001573869924 950582327 /nfs/dbraw/zinc/58/23/27/950582327.db2.gz RQLGZJMAZJKALV-UGSOOPFHSA-N -1 1 386.460 1.089 20 0 GDADMM CC(C)(C)OCC(=O)N[C@]12CCC[C@@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001573869924 950582342 /nfs/dbraw/zinc/58/23/42/950582342.db2.gz RQLGZJMAZJKALV-UGSOOPFHSA-N -1 1 386.460 1.089 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccc(F)c(F)c1 ZINC001575918169 950588081 /nfs/dbraw/zinc/58/80/81/950588081.db2.gz AVTHYBSPYHIMLO-NOZJJQNGSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccc(F)c(F)c1 ZINC001575918169 950588092 /nfs/dbraw/zinc/58/80/92/950588092.db2.gz AVTHYBSPYHIMLO-NOZJJQNGSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1C)n1cccc1 ZINC001574512868 950590584 /nfs/dbraw/zinc/59/05/84/950590584.db2.gz FIQSYHPBUPJPHU-MCIONIFRSA-N -1 1 381.444 1.193 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001575617229 950598272 /nfs/dbraw/zinc/59/82/72/950598272.db2.gz YOUPQHNDXCQHES-GFCCVEGCSA-N -1 1 384.488 1.458 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@]12CCC[C@H]1N(c1nccnc1-c1nnn[n-]1)CC2 ZINC001573870836 950598705 /nfs/dbraw/zinc/59/87/05/950598705.db2.gz XWABFIBXGFJPJT-KZULUSFZSA-N -1 1 386.460 1.089 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@]12CCC[C@H]1N(c1nccnc1-c1nn[n-]n1)CC2 ZINC001573870836 950598727 /nfs/dbraw/zinc/59/87/27/950598727.db2.gz XWABFIBXGFJPJT-KZULUSFZSA-N -1 1 386.460 1.089 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1C)c1ccco1 ZINC001574513362 950603193 /nfs/dbraw/zinc/60/31/93/950603193.db2.gz PPTKXGAWVPIVTP-UPJWGTAASA-N -1 1 382.428 1.527 20 0 GDADMM CC1(C)C(C(=O)N2C[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]3C2)C1(C)C ZINC001575617433 950605096 /nfs/dbraw/zinc/60/50/96/950605096.db2.gz BRKATMMJHGUILV-TXEJJXNPSA-N -1 1 382.472 1.234 20 0 GDADMM CC1(C)C(C(=O)N2C[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]3C2)C1(C)C ZINC001575617433 950605113 /nfs/dbraw/zinc/60/51/13/950605113.db2.gz BRKATMMJHGUILV-TXEJJXNPSA-N -1 1 382.472 1.234 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C[C@@H](C)c1cccc(F)c1 ZINC001574513365 950606460 /nfs/dbraw/zinc/60/64/60/950606460.db2.gz PRMMUAYMOVVDDZ-VXGBXAGGSA-N -1 1 384.419 1.328 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccn(C)c1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574758346 950608328 /nfs/dbraw/zinc/60/83/28/950608328.db2.gz BGPXKIAFXLVIQV-QMMMGPOBSA-N -1 1 380.865 1.888 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccn(C)c1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574758346 950608342 /nfs/dbraw/zinc/60/83/42/950608342.db2.gz BGPXKIAFXLVIQV-QMMMGPOBSA-N -1 1 380.865 1.888 20 0 GDADMM CC1(C)C(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)nn2)C1(C)C ZINC001575618613 950610990 /nfs/dbraw/zinc/61/09/90/950610990.db2.gz LPGJUJKEUPKDRP-TXEJJXNPSA-N -1 1 382.472 1.519 20 0 GDADMM CC1(C)C(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)nn2)C1(C)C ZINC001575618613 950611006 /nfs/dbraw/zinc/61/10/06/950611006.db2.gz LPGJUJKEUPKDRP-TXEJJXNPSA-N -1 1 382.472 1.519 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cccc2c1CCC2 ZINC001575919374 950615237 /nfs/dbraw/zinc/61/52/37/950615237.db2.gz HCVJDDNOKDCRNO-LRDDRELGSA-N -1 1 390.451 1.861 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cccc2c1CCC2 ZINC001575919374 950615254 /nfs/dbraw/zinc/61/52/54/950615254.db2.gz HCVJDDNOKDCRNO-LRDDRELGSA-N -1 1 390.451 1.861 20 0 GDADMM CC(C)CCC(=O)N[C@@H]1CC[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001574174075 950623954 /nfs/dbraw/zinc/62/39/54/950623954.db2.gz FKPQWSPZBLUFSN-RBSFLKMASA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)CCC(=O)N[C@@H]1CC[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001574174075 950623971 /nfs/dbraw/zinc/62/39/71/950623971.db2.gz FKPQWSPZBLUFSN-RBSFLKMASA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C(C(=O)N[C@@H]2CCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)C1(C)C ZINC001575620237 950626208 /nfs/dbraw/zinc/62/62/08/950626208.db2.gz UQAHGQUXOYOKLS-NWDGAFQWSA-N -1 1 384.488 1.600 20 0 GDADMM C[C@H](CNC(=O)c1cc2c(s1)CCC2)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575001328 950632229 /nfs/dbraw/zinc/63/22/29/950632229.db2.gz KIWHIRRPSXVYKJ-SNVBAGLBSA-N -1 1 384.469 1.462 20 0 GDADMM C[C@H](CNC(=O)c1cc2c(s1)CCC2)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575001328 950632240 /nfs/dbraw/zinc/63/22/40/950632240.db2.gz KIWHIRRPSXVYKJ-SNVBAGLBSA-N -1 1 384.469 1.462 20 0 GDADMM CC1(C)[C@H](NC(=O)CCCF)[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)[C@@H]21 ZINC001575622326 950639143 /nfs/dbraw/zinc/63/91/43/950639143.db2.gz CKYXJUQHGRRPPW-XZJROXQQSA-N -1 1 388.451 1.516 20 0 GDADMM CC1(C)[C@H](NC(=O)CCCF)[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)[C@@H]21 ZINC001575622326 950639155 /nfs/dbraw/zinc/63/91/55/950639155.db2.gz CKYXJUQHGRRPPW-XZJROXQQSA-N -1 1 388.451 1.516 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccnc(C2CC2)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574759532 950639331 /nfs/dbraw/zinc/63/93/31/950639331.db2.gz NGLQZIBHFIWZPP-LLVKDONJSA-N -1 1 379.428 1.502 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccnc(C2CC2)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574759532 950639341 /nfs/dbraw/zinc/63/93/41/950639341.db2.gz NGLQZIBHFIWZPP-LLVKDONJSA-N -1 1 379.428 1.502 20 0 GDADMM CC(C)n1cccc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001575922142 950645639 /nfs/dbraw/zinc/64/56/39/950645639.db2.gz OUFRFVYSZUCTCI-QWHCGFSZSA-N -1 1 381.444 1.176 20 0 GDADMM C[C@H](CNC(=O)c1cc2c(s1)CCC2)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575001874 950646230 /nfs/dbraw/zinc/64/62/30/950646230.db2.gz NUXRSUPRPXHGFP-JTQLQIEISA-N -1 1 384.469 1.685 20 0 GDADMM C[C@H](CNC(=O)c1cc2c(s1)CCC2)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575001874 950646244 /nfs/dbraw/zinc/64/62/44/950646244.db2.gz NUXRSUPRPXHGFP-JTQLQIEISA-N -1 1 384.469 1.685 20 0 GDADMM CC1(C)C2CCC1(C(=O)NCC1(Nc3cncc(-c4nnn[n-]4)n3)CC1)CC2 ZINC001575623926 950655240 /nfs/dbraw/zinc/65/52/40/950655240.db2.gz LVWVGCHWEIIDMI-UHFFFAOYSA-N -1 1 382.472 1.934 20 0 GDADMM CC1(C)C2CCC1(C(=O)NCC1(Nc3cncc(-c4nn[n-]n4)n3)CC1)CC2 ZINC001575623926 950655258 /nfs/dbraw/zinc/65/52/58/950655258.db2.gz LVWVGCHWEIIDMI-UHFFFAOYSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)cs1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575002484 950665420 /nfs/dbraw/zinc/66/54/20/950665420.db2.gz UJVDZYVAMSHJHV-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)cs1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575002484 950665432 /nfs/dbraw/zinc/66/54/32/950665432.db2.gz UJVDZYVAMSHJHV-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM CC(C)CCC(=O)NC1(C2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)CC1 ZINC001574176109 950672507 /nfs/dbraw/zinc/67/25/07/950672507.db2.gz UJOSWUUCRVUWHQ-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CCC(=O)NC1(C2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)CC1 ZINC001574176109 950672521 /nfs/dbraw/zinc/67/25/21/950672521.db2.gz UJOSWUUCRVUWHQ-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)[C@H](NC(=O)CCCF)[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)[C@H]21 ZINC001575624784 950675048 /nfs/dbraw/zinc/67/50/48/950675048.db2.gz OGSHCGFVJIOJET-NILFDRSVSA-N -1 1 388.451 1.516 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C(C)(F)F)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576214756 950683948 /nfs/dbraw/zinc/68/39/48/950683948.db2.gz CALXQJFKYZZMLH-UWVGGRQHSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C(C)(F)F)C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576214756 950683961 /nfs/dbraw/zinc/68/39/61/950683961.db2.gz CALXQJFKYZZMLH-UWVGGRQHSA-N -1 1 380.403 1.597 20 0 GDADMM CC1(C)CC(C(=O)N2CCC[C@H]3[C@H]2CCN3c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575625630 950691177 /nfs/dbraw/zinc/69/11/77/950691177.db2.gz VLROYCNBHUPGTJ-LSDHHAIUSA-N -1 1 382.472 1.663 20 0 GDADMM CC1(C)CC(C(=O)N2CCC[C@H]3[C@H]2CCN3c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575625630 950691186 /nfs/dbraw/zinc/69/11/86/950691186.db2.gz VLROYCNBHUPGTJ-LSDHHAIUSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccnnc1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574761115 950691974 /nfs/dbraw/zinc/69/19/74/950691974.db2.gz QPMNUABWHMVTAR-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccnnc1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574761115 950691980 /nfs/dbraw/zinc/69/19/80/950691980.db2.gz QPMNUABWHMVTAR-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM CC1(C)C2CCC1(C(=O)N[C@H]1C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C1)CC2 ZINC001575625636 950693141 /nfs/dbraw/zinc/69/31/41/950693141.db2.gz SWFQZFTXFPHVGM-ZCXICMAXSA-N -1 1 382.472 1.932 20 0 GDADMM CC1(C)C2CCC1(C(=O)N[C@H]1C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C1)CC2 ZINC001575625636 950693155 /nfs/dbraw/zinc/69/31/55/950693155.db2.gz SWFQZFTXFPHVGM-ZCXICMAXSA-N -1 1 382.472 1.932 20 0 GDADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cscc1Cl ZINC001575925876 950696029 /nfs/dbraw/zinc/69/60/29/950696029.db2.gz VTUWICCFEQLRDQ-GZMMTYOYSA-N -1 1 390.860 1.509 20 0 GDADMM CC1(C)CC(C(=O)N2CC[C@H]3[C@H](CCN3c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001575625789 950696217 /nfs/dbraw/zinc/69/62/17/950696217.db2.gz WNUWFQRGSMIFEX-DOMZBBRYSA-N -1 1 382.472 1.520 20 0 GDADMM CC1(C)CC(C(=O)N2CC[C@H]3[C@H](CCN3c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001575625789 950696231 /nfs/dbraw/zinc/69/62/31/950696231.db2.gz WNUWFQRGSMIFEX-DOMZBBRYSA-N -1 1 382.472 1.520 20 0 GDADMM CC1(C)CC(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575625863 950700184 /nfs/dbraw/zinc/70/01/84/950700184.db2.gz ZAULGXRITLKAAO-OKILXGFUSA-N -1 1 382.472 1.663 20 0 GDADMM CC1(C)CC(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575625863 950700189 /nfs/dbraw/zinc/70/01/89/950700189.db2.gz ZAULGXRITLKAAO-OKILXGFUSA-N -1 1 382.472 1.663 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NCC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573878513 950708328 /nfs/dbraw/zinc/70/83/28/950708328.db2.gz RGVASIAWOKQPRL-ZIAGYGMSSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NCC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573878513 950708345 /nfs/dbraw/zinc/70/83/45/950708345.db2.gz RGVASIAWOKQPRL-ZIAGYGMSSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)n1nccc1C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)[C@H]1C ZINC001575926505 950716061 /nfs/dbraw/zinc/71/60/61/950716061.db2.gz XHABDHYFWODEFF-NEPJUHHUSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1nccc1C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)[C@H]1C ZINC001575926505 950716075 /nfs/dbraw/zinc/71/60/75/950716075.db2.gz XHABDHYFWODEFF-NEPJUHHUSA-N -1 1 382.432 1.149 20 0 GDADMM CC1(C)CC(C(=O)NC[C@H]2CCCCCN2c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575628762 950728561 /nfs/dbraw/zinc/72/85/61/950728561.db2.gz GKHYMHOFMGPSIR-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CC(C(=O)NC[C@H]2CCCCCN2c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575628762 950728577 /nfs/dbraw/zinc/72/85/77/950728577.db2.gz GKHYMHOFMGPSIR-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CC(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C23CCC3)C1 ZINC001575629348 950736992 /nfs/dbraw/zinc/73/69/92/950736992.db2.gz MQLWPVQLRBPZPW-KBPBESRZSA-N -1 1 382.472 1.932 20 0 GDADMM CC1(C)CC(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C23CCC3)C1 ZINC001575629348 950736998 /nfs/dbraw/zinc/73/69/98/950736998.db2.gz MQLWPVQLRBPZPW-KBPBESRZSA-N -1 1 382.472 1.932 20 0 GDADMM CC(C)n1ccc(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@@H]2C)n1 ZINC001575927205 950738028 /nfs/dbraw/zinc/73/80/28/950738028.db2.gz OFDCOJKCTULHJL-NWDGAFQWSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1ccc(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@@H]2C)n1 ZINC001575927205 950738043 /nfs/dbraw/zinc/73/80/43/950738043.db2.gz OFDCOJKCTULHJL-NWDGAFQWSA-N -1 1 382.432 1.149 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C(F)F)CC[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576216994 950749467 /nfs/dbraw/zinc/74/94/67/950749467.db2.gz FPWVRRXQSPCZTG-ZJUUUORDSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C(F)F)CC[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576216994 950749479 /nfs/dbraw/zinc/74/94/79/950749479.db2.gz FPWVRRXQSPCZTG-ZJUUUORDSA-N -1 1 380.403 1.597 20 0 GDADMM CC1(C)CC(C(=O)NC[C@]2(C)CCCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001575629967 950753664 /nfs/dbraw/zinc/75/36/64/950753664.db2.gz WXJDSSQNGOYTBZ-IBGZPJMESA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C)CC(C(=O)NC[C@]2(C)CCCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001575629967 950753682 /nfs/dbraw/zinc/75/36/82/950753682.db2.gz WXJDSSQNGOYTBZ-IBGZPJMESA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cccc2c1CCC2 ZINC001575927773 950757327 /nfs/dbraw/zinc/75/73/27/950757327.db2.gz UFPIEQBZAUENLN-BLLLJJGKSA-N -1 1 390.451 1.861 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cccc2c1CCC2 ZINC001575927773 950757340 /nfs/dbraw/zinc/75/73/40/950757340.db2.gz UFPIEQBZAUENLN-BLLLJJGKSA-N -1 1 390.451 1.861 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C(F)(F)F)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576217416 950761842 /nfs/dbraw/zinc/76/18/42/950761842.db2.gz HPUOFACWAGBMFM-SCZZXKLOSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C(F)(F)F)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576217416 950761852 /nfs/dbraw/zinc/76/18/52/950761852.db2.gz HPUOFACWAGBMFM-SCZZXKLOSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C(F)(F)F)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576217408 950762119 /nfs/dbraw/zinc/76/21/19/950762119.db2.gz NLYPSQOLERZOMU-WPRPVWTQSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C(F)(F)F)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576217408 950762131 /nfs/dbraw/zinc/76/21/31/950762131.db2.gz NLYPSQOLERZOMU-WPRPVWTQSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CC1CC(F)(F)C1 ZINC001575928032 950767787 /nfs/dbraw/zinc/76/77/87/950767787.db2.gz XUFCWTROXDXGMH-ONGXEEELSA-N -1 1 378.387 1.493 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CC1CC(F)(F)C1 ZINC001575928032 950767802 /nfs/dbraw/zinc/76/78/02/950767802.db2.gz XUFCWTROXDXGMH-ONGXEEELSA-N -1 1 378.387 1.493 20 0 GDADMM C[C@H](CN(C)C(=O)c1csc(Cl)n1)Nc1nccnc1-c1nnn[n-]1 ZINC001574764978 950770316 /nfs/dbraw/zinc/77/03/16/950770316.db2.gz AZGDXQGNXIMHGO-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CN(C)C(=O)c1csc(Cl)n1)Nc1nccnc1-c1nn[n-]n1 ZINC001574764978 950770331 /nfs/dbraw/zinc/77/03/31/950770331.db2.gz AZGDXQGNXIMHGO-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cscc1Cl)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574765089 950773208 /nfs/dbraw/zinc/77/32/08/950773208.db2.gz DOXFVYQDCFJINA-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cscc1Cl)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574765089 950773216 /nfs/dbraw/zinc/77/32/16/950773216.db2.gz DOXFVYQDCFJINA-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ocnc1C(F)F ZINC001575930692 950794925 /nfs/dbraw/zinc/79/49/25/950794925.db2.gz GECCRKOZDMMOHD-HTQZYQBOSA-N -1 1 391.342 1.297 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ocnc1C(F)F ZINC001575930692 950794939 /nfs/dbraw/zinc/79/49/39/950794939.db2.gz GECCRKOZDMMOHD-HTQZYQBOSA-N -1 1 391.342 1.297 20 0 GDADMM CC1(C)CC(CC(=O)NC[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001575632276 950795823 /nfs/dbraw/zinc/79/58/23/950795823.db2.gz GATWSLLAKCHLHU-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C)CC(CC(=O)NC[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001575632276 950795832 /nfs/dbraw/zinc/79/58/32/950795832.db2.gz GATWSLLAKCHLHU-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)CCCC(=O)N1CC[C@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001574186289 950809968 /nfs/dbraw/zinc/80/99/68/950809968.db2.gz BJKWFANYAPBQDL-IBGZPJMESA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)CCCC(=O)N1CC[C@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001574186289 950809982 /nfs/dbraw/zinc/80/99/82/950809982.db2.gz BJKWFANYAPBQDL-IBGZPJMESA-N -1 1 384.488 1.912 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccc(F)cc1F ZINC001575931517 950813019 /nfs/dbraw/zinc/81/30/19/950813019.db2.gz IKCHUYRZGVAOBW-ZANVPECISA-N -1 1 386.366 1.650 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(F)cc1F ZINC001575931517 950813041 /nfs/dbraw/zinc/81/30/41/950813041.db2.gz IKCHUYRZGVAOBW-ZANVPECISA-N -1 1 386.366 1.650 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576220083 950822789 /nfs/dbraw/zinc/82/27/89/950822789.db2.gz QIFIHFNYNRTSML-MNOVXSKESA-N -1 1 392.414 1.163 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cccc2c1CCC2 ZINC001575932249 950824315 /nfs/dbraw/zinc/82/43/15/950824315.db2.gz LBWMXBWYJXESOR-LRDDRELGSA-N -1 1 390.451 1.861 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cccc2c1CCC2 ZINC001575932249 950824339 /nfs/dbraw/zinc/82/43/39/950824339.db2.gz LBWMXBWYJXESOR-LRDDRELGSA-N -1 1 390.451 1.861 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cnc(C2CC2)o1 ZINC001575932773 950827524 /nfs/dbraw/zinc/82/75/24/950827524.db2.gz MOTAVITYGAVFEM-KOLCDFICSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cnc(C2CC2)o1 ZINC001575932773 950827539 /nfs/dbraw/zinc/82/75/39/950827539.db2.gz MOTAVITYGAVFEM-KOLCDFICSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccc2nccn2c1 ZINC001575932708 950829106 /nfs/dbraw/zinc/82/91/06/950829106.db2.gz LVRUUEZZTARBPE-DGCLKSJQSA-N -1 1 390.411 1.020 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc2nccn2c1 ZINC001575932708 950829131 /nfs/dbraw/zinc/82/91/31/950829131.db2.gz LVRUUEZZTARBPE-DGCLKSJQSA-N -1 1 390.411 1.020 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)c2ccccc2)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576221954 950863911 /nfs/dbraw/zinc/86/39/11/950863911.db2.gz WTMPTCXHBCVOPO-BBRMVZONSA-N -1 1 392.467 1.893 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)c2ccccc2)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576221954 950863932 /nfs/dbraw/zinc/86/39/32/950863932.db2.gz WTMPTCXHBCVOPO-BBRMVZONSA-N -1 1 392.467 1.893 20 0 GDADMM C[C@@H](CN(C)C(=O)c1onc2c1CCCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574767801 950870075 /nfs/dbraw/zinc/87/00/75/950870075.db2.gz QQHJVYPNOBHHBZ-JTQLQIEISA-N -1 1 383.416 1.096 20 0 GDADMM C[C@@H](CN(C)C(=O)c1onc2c1CCCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574767801 950870082 /nfs/dbraw/zinc/87/00/82/950870082.db2.gz QQHJVYPNOBHHBZ-JTQLQIEISA-N -1 1 383.416 1.096 20 0 GDADMM CC(C)CCCC(=O)NC[C@]1(C)CN(c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC001574189289 950874750 /nfs/dbraw/zinc/87/47/50/950874750.db2.gz HTKWAVAVJHFSRW-GOSISDBHSA-N -1 1 388.476 1.195 20 0 GDADMM CC(C)CCCC(=O)NC[C@]1(C)CN(c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC001574189289 950874761 /nfs/dbraw/zinc/87/47/61/950874761.db2.gz HTKWAVAVJHFSRW-GOSISDBHSA-N -1 1 388.476 1.195 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)CC=CC2)CC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576226825 950893177 /nfs/dbraw/zinc/89/31/77/950893177.db2.gz AVYZKTRRGFXPAL-KGLIPLIRSA-N -1 1 382.472 1.910 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)CC=CC2)CC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576226825 950893186 /nfs/dbraw/zinc/89/31/86/950893186.db2.gz AVYZKTRRGFXPAL-KGLIPLIRSA-N -1 1 382.472 1.910 20 0 GDADMM CC(C)CCCC(=O)N[C@@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001574189748 950897837 /nfs/dbraw/zinc/89/78/37/950897837.db2.gz RKZPPLLQCDLWSQ-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CCCC(=O)NC[C@]1(C)CN(c2nccnc2-c2nnn[n-]2)CCO1 ZINC001574190055 950902569 /nfs/dbraw/zinc/90/25/69/950902569.db2.gz UNOPODQUOWCPIZ-GOSISDBHSA-N -1 1 388.476 1.195 20 0 GDADMM CC(C)CCCC(=O)NC[C@]1(C)CN(c2nccnc2-c2nn[n-]n2)CCO1 ZINC001574190055 950902585 /nfs/dbraw/zinc/90/25/85/950902585.db2.gz UNOPODQUOWCPIZ-GOSISDBHSA-N -1 1 388.476 1.195 20 0 GDADMM CC(C)CCCC(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1 ZINC001574190900 950922896 /nfs/dbraw/zinc/92/28/96/950922896.db2.gz DOBGUNVYBPWHCX-CQSZACIVSA-N -1 1 388.476 1.195 20 0 GDADMM CC(C)CCCC(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1 ZINC001574190900 950922909 /nfs/dbraw/zinc/92/29/09/950922909.db2.gz DOBGUNVYBPWHCX-CQSZACIVSA-N -1 1 388.476 1.195 20 0 GDADMM C[C@H]1C[C@H](C(=O)N(C)CC(C)(C)CNc2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC001575936864 950933348 /nfs/dbraw/zinc/93/33/48/950933348.db2.gz AFAGWSVLBRAGPJ-QWHCGFSZSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@H]1C[C@H](C(=O)N(C)CC(C)(C)CNc2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC001575936864 950933363 /nfs/dbraw/zinc/93/33/63/950933363.db2.gz AFAGWSVLBRAGPJ-QWHCGFSZSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@@H]1CN(C(=O)C2CCC(F)(F)CC2)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576228401 950942390 /nfs/dbraw/zinc/94/23/90/950942390.db2.gz JXFMWNAELFUNRJ-MFKMUULPSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H]1CN(C(=O)C2CCC(F)(F)CC2)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576228401 950942412 /nfs/dbraw/zinc/94/24/12/950942412.db2.gz JXFMWNAELFUNRJ-MFKMUULPSA-N -1 1 392.414 1.741 20 0 GDADMM CC(C)(CC(=O)N1CCO[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)C1CC1 ZINC001573897214 950956188 /nfs/dbraw/zinc/95/61/88/950956188.db2.gz MLACHRFJBGGTIQ-ZDUSSCGKSA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)(CC(=O)N1CCO[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001573897214 950956207 /nfs/dbraw/zinc/95/62/07/950956207.db2.gz MLACHRFJBGGTIQ-ZDUSSCGKSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N1CCC[C@@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001575643357 950968751 /nfs/dbraw/zinc/96/87/51/950968751.db2.gz LLSYJXDQEMIPNA-YJYMSZOUSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N1CCC[C@@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001575643357 950968772 /nfs/dbraw/zinc/96/87/72/950968772.db2.gz LLSYJXDQEMIPNA-YJYMSZOUSA-N -1 1 382.472 1.522 20 0 GDADMM CC(C)(CC(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)CC(F)F ZINC001573898094 950969076 /nfs/dbraw/zinc/96/90/76/950969076.db2.gz WLHRGMILQUWQAK-JTQLQIEISA-N -1 1 380.403 1.423 20 0 GDADMM CC(C)(CC(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)CC(F)F ZINC001573898094 950969093 /nfs/dbraw/zinc/96/90/93/950969093.db2.gz WLHRGMILQUWQAK-JTQLQIEISA-N -1 1 380.403 1.423 20 0 GDADMM CC(C)(CC(=O)NCC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001573899508 950978095 /nfs/dbraw/zinc/97/80/95/950978095.db2.gz BGDUSGMDWIKOKU-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(CC(=O)NCC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001573899509 950979513 /nfs/dbraw/zinc/97/95/13/950979513.db2.gz BGDUSGMDWIKOKU-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)F)cc1F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575017302 950986774 /nfs/dbraw/zinc/98/67/74/950986774.db2.gz CWKSVLRLXFPXBV-QMMMGPOBSA-N -1 1 392.345 1.964 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)F)cc1F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575017302 950986788 /nfs/dbraw/zinc/98/67/88/950986788.db2.gz CWKSVLRLXFPXBV-QMMMGPOBSA-N -1 1 392.345 1.964 20 0 GDADMM C[C@@H]1CN(C(=O)C2C=CC=CC=C2)CC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576230289 950997130 /nfs/dbraw/zinc/99/71/30/950997130.db2.gz ANKRLIGRIWOUQY-ZBFHGGJFSA-N -1 1 392.467 1.274 20 0 GDADMM CC(C)Oc1ccc(C(=O)NC[C@@H](C)Nc2nccnc2-c2nnn[n-]2)nc1 ZINC001575024777 951115800 /nfs/dbraw/zinc/11/58/00/951115800.db2.gz MOPPBNVCWRVAQE-LLVKDONJSA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1ccc(C(=O)NC[C@@H](C)Nc2nccnc2-c2nn[n-]n2)nc1 ZINC001575024777 951115808 /nfs/dbraw/zinc/11/58/08/951115808.db2.gz MOPPBNVCWRVAQE-LLVKDONJSA-N -1 1 383.416 1.069 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCC2)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575025161 951128583 /nfs/dbraw/zinc/12/85/83/951128583.db2.gz WGSIIRBKOFTLKH-GFCCVEGCSA-N -1 1 378.440 1.400 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCC2)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575025161 951128587 /nfs/dbraw/zinc/12/85/87/951128587.db2.gz WGSIIRBKOFTLKH-GFCCVEGCSA-N -1 1 378.440 1.400 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCC2)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575025141 951128885 /nfs/dbraw/zinc/12/88/85/951128885.db2.gz VXBCUCLJEUSVMN-GFCCVEGCSA-N -1 1 378.440 1.400 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCC2)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575025141 951128892 /nfs/dbraw/zinc/12/88/92/951128892.db2.gz VXBCUCLJEUSVMN-GFCCVEGCSA-N -1 1 378.440 1.400 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCC2)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575025370 951130435 /nfs/dbraw/zinc/13/04/35/951130435.db2.gz YNIFPTZSTDFISH-LBPRGKRZSA-N -1 1 378.440 1.045 20 0 GDADMM C[C@H](CNC(=O)c1cccc(Cl)c1F)Nc1nccnc1-c1nnn[n-]1 ZINC001575025964 951138428 /nfs/dbraw/zinc/13/84/28/951138428.db2.gz DMZVEIOIIOZRCD-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CNC(=O)c1cccc(Cl)c1F)Nc1nccnc1-c1nn[n-]n1 ZINC001575025964 951138435 /nfs/dbraw/zinc/13/84/35/951138435.db2.gz DMZVEIOIIOZRCD-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CNC(=O)c1ccc2ccncc2c1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575027065 951152040 /nfs/dbraw/zinc/15/20/40/951152040.db2.gz PBCDAOFXQJNCNX-GFCCVEGCSA-N -1 1 389.423 1.460 20 0 GDADMM C[C@H](CNC(=O)c1ccc2ccncc2c1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575027065 951152046 /nfs/dbraw/zinc/15/20/46/951152046.db2.gz PBCDAOFXQJNCNX-GFCCVEGCSA-N -1 1 389.423 1.460 20 0 GDADMM C[C@H](CNC(=O)c1cccc(C(C)(C)C)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575027562 951160574 /nfs/dbraw/zinc/16/05/74/951160574.db2.gz SAKOGTJRJLZREX-GFCCVEGCSA-N -1 1 380.456 1.607 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(F)c1Cl)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575027715 951163648 /nfs/dbraw/zinc/16/36/48/951163648.db2.gz IRPLADCVWLDSCJ-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(F)c1Cl)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575027715 951163653 /nfs/dbraw/zinc/16/36/53/951163653.db2.gz IRPLADCVWLDSCJ-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(F)c1Cl)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575029041 951182335 /nfs/dbraw/zinc/18/23/35/951182335.db2.gz RKCVAEJPBWJJDJ-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(F)c1Cl)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575029041 951182346 /nfs/dbraw/zinc/18/23/46/951182346.db2.gz RKCVAEJPBWJJDJ-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM O=C([O-])CC[C@@H]1C[C@@H](C(=O)Nc2cc(C(=O)OCc3ccccc3)[nH]n2)CO1 ZINC001595004936 951187067 /nfs/dbraw/zinc/18/70/67/951187067.db2.gz MDIHHVWONUUZLT-ZIAGYGMSSA-N -1 1 387.392 1.975 20 0 GDADMM C[C@@H](CNC(=O)c1cccnc1C(F)F)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575031532 951196926 /nfs/dbraw/zinc/19/69/26/951196926.db2.gz CGOHVHMVBCHYBE-SECBINFHSA-N -1 1 389.370 1.467 20 0 GDADMM C[C@@H](CNC(=O)c1cccnc1C(F)F)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575031532 951196934 /nfs/dbraw/zinc/19/69/34/951196934.db2.gz CGOHVHMVBCHYBE-SECBINFHSA-N -1 1 389.370 1.467 20 0 GDADMM CC(C)Oc1ccccc1C(=O)NC[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575032096 951215702 /nfs/dbraw/zinc/21/57/02/951215702.db2.gz QJHQWXSTAVFFCR-LBPRGKRZSA-N -1 1 382.428 1.674 20 0 GDADMM CC(C)Oc1ccccc1C(=O)NC[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575032096 951215714 /nfs/dbraw/zinc/21/57/14/951215714.db2.gz QJHQWXSTAVFFCR-LBPRGKRZSA-N -1 1 382.428 1.674 20 0 GDADMM C[C@H](CNC(=O)c1ccsn1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001575037867 951312782 /nfs/dbraw/zinc/31/27/82/951312782.db2.gz DGKKEZVBCUWFQE-ZCFIWIBFSA-N -1 1 384.878 1.688 20 0 GDADMM C[C@H](CNC(=O)c1ccsn1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001575037867 951312793 /nfs/dbraw/zinc/31/27/93/951312793.db2.gz DGKKEZVBCUWFQE-ZCFIWIBFSA-N -1 1 384.878 1.688 20 0 GDADMM C[C@@H](CNC(=O)c1ccns1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575038837 951327168 /nfs/dbraw/zinc/32/71/68/951327168.db2.gz MECUQVXOSWXWBK-LURJTMIESA-N -1 1 384.878 1.688 20 0 GDADMM C[C@@H](CNC(=O)c1ccns1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575038837 951327183 /nfs/dbraw/zinc/32/71/83/951327183.db2.gz MECUQVXOSWXWBK-LURJTMIESA-N -1 1 384.878 1.688 20 0 GDADMM CC(C)c1ncc(C(=O)NC[C@H](C)CNc2ccnc(-c3nn[n-]n3)n2)s1 ZINC001575044552 951415020 /nfs/dbraw/zinc/41/50/20/951415020.db2.gz SIMPAAJEYQITJB-SNVBAGLBSA-N -1 1 387.473 1.137 20 0 GDADMM C[C@H](CNC(=O)c1cnn(C2CCC2)c1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575052444 951463666 /nfs/dbraw/zinc/46/36/66/951463666.db2.gz JNEWQQYTGNPUHK-NSHDSACASA-N -1 1 382.432 1.056 20 0 GDADMM C[C@H](CNC(=O)c1cnn(C2CCC2)c1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575052444 951463679 /nfs/dbraw/zinc/46/36/79/951463679.db2.gz JNEWQQYTGNPUHK-NSHDSACASA-N -1 1 382.432 1.056 20 0 GDADMM C[C@H](CNC(=O)c1coc(C(F)F)c1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575059299 951540290 /nfs/dbraw/zinc/54/02/90/951540290.db2.gz YYFBBAVBCPUZBC-QMMMGPOBSA-N -1 1 378.343 1.665 20 0 GDADMM C[C@H](CNC(=O)c1coc(C(F)F)c1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575059299 951540304 /nfs/dbraw/zinc/54/03/04/951540304.db2.gz YYFBBAVBCPUZBC-QMMMGPOBSA-N -1 1 378.343 1.665 20 0 GDADMM C[C@@H](CNC(=O)c1ncsc1C1CC1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575064638 951576935 /nfs/dbraw/zinc/57/69/35/951576935.db2.gz BSTKMDITKSOJNG-SECBINFHSA-N -1 1 385.457 1.469 20 0 GDADMM C[C@@H](CNC(=O)c1ncsc1C1CC1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575064638 951576945 /nfs/dbraw/zinc/57/69/45/951576945.db2.gz BSTKMDITKSOJNG-SECBINFHSA-N -1 1 385.457 1.469 20 0 GDADMM C[C@H](CNC(=O)c1ncoc1C(C)(C)C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575067383 951611344 /nfs/dbraw/zinc/61/13/44/951611344.db2.gz LITIWKMLMDJOQT-SNVBAGLBSA-N -1 1 385.432 1.197 20 0 GDADMM C[C@@H](CNC(=O)c1noc2c1CCCCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001575067402 951611563 /nfs/dbraw/zinc/61/15/63/951611563.db2.gz SBXBLRWXIAVQQI-JTQLQIEISA-N -1 1 383.416 1.144 20 0 GDADMM C[C@@H](CNC(=O)c1noc2c1CCCCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001575067402 951611569 /nfs/dbraw/zinc/61/15/69/951611569.db2.gz SBXBLRWXIAVQQI-JTQLQIEISA-N -1 1 383.416 1.144 20 0 GDADMM C[C@@H](CNC(=O)c1scnc1C1CC1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575068617 951636791 /nfs/dbraw/zinc/63/67/91/951636791.db2.gz CHMNJCWUHPLFGA-VIFPVBQESA-N -1 1 385.457 1.245 20 0 GDADMM C[C@H](CNC(=O)c1sccc1C1CC1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575068577 951636904 /nfs/dbraw/zinc/63/69/04/951636904.db2.gz BGVUEYUHIQTFTA-SNVBAGLBSA-N -1 1 384.469 1.850 20 0 GDADMM C[C@H](CNC(=O)c1sccc1C1CC1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575068577 951636911 /nfs/dbraw/zinc/63/69/11/951636911.db2.gz BGVUEYUHIQTFTA-SNVBAGLBSA-N -1 1 384.469 1.850 20 0 GDADMM CC(C)c1ncsc1C(=O)NC[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575068800 951638450 /nfs/dbraw/zinc/63/84/50/951638450.db2.gz CNLWCWDSDILEHT-JTQLQIEISA-N -1 1 387.473 1.715 20 0 GDADMM CC(C)c1ncsc1C(=O)NC[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575068800 951638456 /nfs/dbraw/zinc/63/84/56/951638456.db2.gz CNLWCWDSDILEHT-JTQLQIEISA-N -1 1 387.473 1.715 20 0 GDADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)[C@@H]1C[C@H]1C1CCC1)C1CC1 ZINC001575128635 952071620 /nfs/dbraw/zinc/07/16/20/952071620.db2.gz KTJBTHBYNACWDW-KSMMKXTCSA-N -1 1 382.472 1.790 20 0 GDADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)[C@@H]1C[C@H]1C1CCC1)C1CC1 ZINC001575128635 952071628 /nfs/dbraw/zinc/07/16/28/952071628.db2.gz KTJBTHBYNACWDW-KSMMKXTCSA-N -1 1 382.472 1.790 20 0 GDADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)c1ccncc1F)C1CC1 ZINC001575128861 952072349 /nfs/dbraw/zinc/07/23/49/952072349.db2.gz NNSXSYGVCXEISU-QGZVFWFLSA-N -1 1 383.391 1.201 20 0 GDADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)c1ccncc1F)C1CC1 ZINC001575128861 952072353 /nfs/dbraw/zinc/07/23/53/952072353.db2.gz NNSXSYGVCXEISU-QGZVFWFLSA-N -1 1 383.391 1.201 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@H]1CCCCC1(F)F ZINC001575132589 952095255 /nfs/dbraw/zinc/09/52/55/952095255.db2.gz HAELVLFUZLKDNG-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@H]1CCCCC1(F)F ZINC001575132589 952095263 /nfs/dbraw/zinc/09/52/63/952095263.db2.gz HAELVLFUZLKDNG-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)c1cncc(F)c1)C1CC1 ZINC001575135291 952116901 /nfs/dbraw/zinc/11/69/01/952116901.db2.gz QEOPFTLJSNFEPM-KRWDZBQOSA-N -1 1 383.391 1.201 20 0 GDADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)c1cncc(F)c1)C1CC1 ZINC001575135291 952116907 /nfs/dbraw/zinc/11/69/07/952116907.db2.gz QEOPFTLJSNFEPM-KRWDZBQOSA-N -1 1 383.391 1.201 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H]1CCCC(F)(F)C1 ZINC001575135896 952123087 /nfs/dbraw/zinc/12/30/87/952123087.db2.gz SXWHJHMNSHGXER-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H]1CCCC(F)(F)C1 ZINC001575135896 952123090 /nfs/dbraw/zinc/12/30/90/952123090.db2.gz SXWHJHMNSHGXER-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575136525 952127164 /nfs/dbraw/zinc/12/71/64/952127164.db2.gz WBZGUQGURDPSFT-KBPBESRZSA-N -1 1 380.456 1.794 20 0 GDADMM C[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575136525 952127168 /nfs/dbraw/zinc/12/71/68/952127168.db2.gz WBZGUQGURDPSFT-KBPBESRZSA-N -1 1 380.456 1.794 20 0 GDADMM CC(C)[C@H]1CC[C@H](C(=O)NC[C@H](C)CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575140547 952142297 /nfs/dbraw/zinc/14/22/97/952142297.db2.gz DOTKOFXDKYQDEL-RBSFLKMASA-N -1 1 386.504 1.705 20 0 GDADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)CCC(F)(F)F)C1CC1 ZINC001575141532 952144592 /nfs/dbraw/zinc/14/45/92/952144592.db2.gz HZNYPUSQXORBKZ-CQSZACIVSA-N -1 1 384.366 1.118 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)Cc1ccccc1Cl ZINC001575144849 952172060 /nfs/dbraw/zinc/17/20/60/952172060.db2.gz YHUVFLCBDQXLAT-LLVKDONJSA-N -1 1 386.847 1.234 20 0 GDADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)CC1CC(F)(F)C1)C1CC1 ZINC001575146390 952193932 /nfs/dbraw/zinc/19/39/32/952193932.db2.gz JZRICHIIWXEXRW-INIZCTEOSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)CC1CC(F)(F)C1)C1CC1 ZINC001575146390 952193933 /nfs/dbraw/zinc/19/39/33/952193933.db2.gz JZRICHIIWXEXRW-INIZCTEOSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1CCCC(F)(F)C1 ZINC001575153953 952215164 /nfs/dbraw/zinc/21/51/64/952215164.db2.gz MNZHLJROIQZTCJ-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1CCCC(F)(F)C1 ZINC001575153953 952215166 /nfs/dbraw/zinc/21/51/66/952215166.db2.gz MNZHLJROIQZTCJ-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001575154194 952217794 /nfs/dbraw/zinc/21/77/94/952217794.db2.gz PWUDJQOHXFODMK-ZQGRQUNCSA-N -1 1 392.467 1.893 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001575154194 952217797 /nfs/dbraw/zinc/21/77/97/952217797.db2.gz PWUDJQOHXFODMK-ZQGRQUNCSA-N -1 1 392.467 1.893 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1c[nH]nc1C(C)(C)C ZINC001575154332 952219362 /nfs/dbraw/zinc/21/93/62/952219362.db2.gz BISJOXXNZYXZEX-JTQLQIEISA-N -1 1 384.448 1.250 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1c[nH]nc1C(C)(C)C ZINC001575154332 952219366 /nfs/dbraw/zinc/21/93/66/952219366.db2.gz BISJOXXNZYXZEX-JTQLQIEISA-N -1 1 384.448 1.250 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cccc(N(C)C)c1 ZINC001575155794 952243434 /nfs/dbraw/zinc/24/34/34/952243434.db2.gz AIASAEHEYQYCDX-LBPRGKRZSA-N -1 1 381.444 1.295 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cccc(N(C)C)c1 ZINC001575155794 952243441 /nfs/dbraw/zinc/24/34/41/952243441.db2.gz AIASAEHEYQYCDX-LBPRGKRZSA-N -1 1 381.444 1.295 20 0 GDADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C1CC1 ZINC001575156234 952250095 /nfs/dbraw/zinc/25/00/95/952250095.db2.gz RCYOIYXKWABIQH-LDHJFUFUSA-N -1 1 398.471 1.169 20 0 GDADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C1CC1 ZINC001575156234 952250100 /nfs/dbraw/zinc/25/01/00/952250100.db2.gz RCYOIYXKWABIQH-LDHJFUFUSA-N -1 1 398.471 1.169 20 0 GDADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)CCc1ccccc1)C1CC1 ZINC001575156832 952258048 /nfs/dbraw/zinc/25/80/48/952258048.db2.gz WGEICSBYUHSRTO-HXUWFJFHSA-N -1 1 392.467 1.986 20 0 GDADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)CCc1ccccc1)C1CC1 ZINC001575156832 952258052 /nfs/dbraw/zinc/25/80/52/952258052.db2.gz WGEICSBYUHSRTO-HXUWFJFHSA-N -1 1 392.467 1.986 20 0 GDADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)C[C@H]1CCOC1 ZINC001575164093 952286672 /nfs/dbraw/zinc/28/66/72/952286672.db2.gz BJRGEOIEOIBXOZ-RKDXNWHRSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)[C@H]1CC1(F)F ZINC001575165912 952316481 /nfs/dbraw/zinc/31/64/81/952316481.db2.gz RCERQZURXLNUQG-PHDIDXHHSA-N -1 1 377.808 1.891 20 0 GDADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)c1cccn1C ZINC001575166735 952328330 /nfs/dbraw/zinc/32/83/30/952328330.db2.gz YBZZNDBLHLTQPW-QMMMGPOBSA-N -1 1 380.865 1.888 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)C1CC2(C1)CCOCC2 ZINC001575173955 952359255 /nfs/dbraw/zinc/35/92/55/952359255.db2.gz DGWJYFNNECSREL-LBPRGKRZSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)C1CC2(C1)CCOCC2 ZINC001575173955 952359263 /nfs/dbraw/zinc/35/92/63/952359263.db2.gz DGWJYFNNECSREL-LBPRGKRZSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)CC1CC(F)(F)C1)C1CC1 ZINC001575174203 952368696 /nfs/dbraw/zinc/36/86/96/952368696.db2.gz JIEASFFPPFNYHS-MRXNPFEDSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)CC1CC(F)(F)C1)C1CC1 ZINC001575174203 952368705 /nfs/dbraw/zinc/36/87/05/952368705.db2.gz JIEASFFPPFNYHS-MRXNPFEDSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)c1cccc(F)c1)C1CC1 ZINC001575174712 952378705 /nfs/dbraw/zinc/37/87/05/952378705.db2.gz RFOZRBFXRIRMIB-GOSISDBHSA-N -1 1 382.403 1.806 20 0 GDADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)c1cccc(F)c1)C1CC1 ZINC001575174712 952378709 /nfs/dbraw/zinc/37/87/09/952378709.db2.gz RFOZRBFXRIRMIB-GOSISDBHSA-N -1 1 382.403 1.806 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ncc(Cl)s1 ZINC001575176430 952392427 /nfs/dbraw/zinc/39/24/27/952392427.db2.gz DIPMMIWOZRHSDQ-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ncc(Cl)s1 ZINC001575176430 952392437 /nfs/dbraw/zinc/39/24/37/952392437.db2.gz DIPMMIWOZRHSDQ-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001575177267 952399639 /nfs/dbraw/zinc/39/96/39/952399639.db2.gz HQPBGWIRQJQZMX-KWCYVHTRSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001575177267 952399646 /nfs/dbraw/zinc/39/96/46/952399646.db2.gz HQPBGWIRQJQZMX-KWCYVHTRSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1csc(C2CC2)n1 ZINC001575179433 952410001 /nfs/dbraw/zinc/41/00/01/952410001.db2.gz OSQCGXFSTQXPCL-SECBINFHSA-N -1 1 385.457 1.563 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1csc(C2CC2)n1 ZINC001575179433 952410004 /nfs/dbraw/zinc/41/00/04/952410004.db2.gz OSQCGXFSTQXPCL-SECBINFHSA-N -1 1 385.457 1.563 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)Cc1cccc(F)c1F ZINC001575179676 952413985 /nfs/dbraw/zinc/41/39/85/952413985.db2.gz QOCNGXHMFHCAEW-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)Cc1cccc(F)c1F ZINC001575179676 952413988 /nfs/dbraw/zinc/41/39/88/952413988.db2.gz QOCNGXHMFHCAEW-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](COc1ccc(F)cc1)NS(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001575180055 952414627 /nfs/dbraw/zinc/41/46/27/952414627.db2.gz XMBLMJDPPLWWDD-JTQLQIEISA-N -1 1 378.389 1.147 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)Cc1cnoc1 ZINC001575180106 952415720 /nfs/dbraw/zinc/41/57/20/952415720.db2.gz RQIYJCQOQUZVOM-SSDOTTSWSA-N -1 1 382.837 1.466 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)Cc1cnoc1 ZINC001575180106 952415722 /nfs/dbraw/zinc/41/57/22/952415722.db2.gz RQIYJCQOQUZVOM-SSDOTTSWSA-N -1 1 382.837 1.466 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)c1ccn(C)c1 ZINC001575180901 952419154 /nfs/dbraw/zinc/41/91/54/952419154.db2.gz XLJUBMKPHWKOET-MRVPVSSYSA-N -1 1 380.865 1.888 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)c1ccn(C)c1 ZINC001575180901 952419161 /nfs/dbraw/zinc/41/91/61/952419161.db2.gz XLJUBMKPHWKOET-MRVPVSSYSA-N -1 1 380.865 1.888 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)C[C@@H]1CCOC1 ZINC001575180963 952421020 /nfs/dbraw/zinc/42/10/20/952421020.db2.gz YTRGQELMNNRHSQ-BDAKNGLRSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)C[C@@H]1CCOC1 ZINC001575180963 952421022 /nfs/dbraw/zinc/42/10/22/952421022.db2.gz YTRGQELMNNRHSQ-BDAKNGLRSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575187210 952438889 /nfs/dbraw/zinc/43/88/89/952438889.db2.gz ASGPYAMMPXBJBJ-GFCCVEGCSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575187210 952438902 /nfs/dbraw/zinc/43/89/02/952438902.db2.gz ASGPYAMMPXBJBJ-GFCCVEGCSA-N -1 1 382.428 1.531 20 0 GDADMM Cc1nsc(NC[C@H]2CCN(C(=O)CC(F)(F)F)C2)c1-c1nn[n-]n1 ZINC001571114073 952447817 /nfs/dbraw/zinc/44/78/17/952447817.db2.gz AFRXDCKOUDKYNZ-MRVPVSSYSA-N -1 1 375.380 1.844 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC001575190571 952462349 /nfs/dbraw/zinc/46/23/49/952462349.db2.gz UKMQBPUXWGZBJP-NWDGAFQWSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC001575190571 952462353 /nfs/dbraw/zinc/46/23/53/952462353.db2.gz UKMQBPUXWGZBJP-NWDGAFQWSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575195836 952472040 /nfs/dbraw/zinc/47/20/40/952472040.db2.gz BXKJHKFELUZTBR-OLZOCXBDSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575195836 952472044 /nfs/dbraw/zinc/47/20/44/952472044.db2.gz BXKJHKFELUZTBR-OLZOCXBDSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001575196234 952475146 /nfs/dbraw/zinc/47/51/46/952475146.db2.gz GCDKCLWTKWJXKA-GFCCVEGCSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001575196234 952475152 /nfs/dbraw/zinc/47/51/52/952475152.db2.gz GCDKCLWTKWJXKA-GFCCVEGCSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001575197287 952482219 /nfs/dbraw/zinc/48/22/19/952482219.db2.gz RRXISDVKNHJEBO-RISCZKNCSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001575197287 952482222 /nfs/dbraw/zinc/48/22/22/952482222.db2.gz RRXISDVKNHJEBO-RISCZKNCSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](CCNC(=O)Nc1ccnc(-c2nnn[n-]2)c1)NC(=O)OC(C)(C)C ZINC001571119906 952497616 /nfs/dbraw/zinc/49/76/16/952497616.db2.gz HILUBRIQRBEXPX-JTQLQIEISA-N -1 1 376.421 1.687 20 0 GDADMM C[C@@H](CCNC(=O)Nc1ccnc(-c2nn[n-]n2)c1)NC(=O)OC(C)(C)C ZINC001571119906 952497625 /nfs/dbraw/zinc/49/76/25/952497625.db2.gz HILUBRIQRBEXPX-JTQLQIEISA-N -1 1 376.421 1.687 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CC(c2ccc(Cl)cc2)C1 ZINC001571122309 952524785 /nfs/dbraw/zinc/52/47/85/952524785.db2.gz IMJIMEYCPSMHSP-UHFFFAOYSA-N -1 1 376.829 1.703 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CC(c2ccc(Cl)cc2)C1 ZINC001571122309 952524789 /nfs/dbraw/zinc/52/47/89/952524789.db2.gz IMJIMEYCPSMHSP-UHFFFAOYSA-N -1 1 376.829 1.703 20 0 GDADMM O=C(c1sccc1Cl)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571123682 952530662 /nfs/dbraw/zinc/53/06/62/952530662.db2.gz UEQTXDXPGLRGPH-QMMMGPOBSA-N -1 1 376.833 1.698 20 0 GDADMM O=C(c1sccc1Cl)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571123682 952530668 /nfs/dbraw/zinc/53/06/68/952530668.db2.gz UEQTXDXPGLRGPH-QMMMGPOBSA-N -1 1 376.833 1.698 20 0 GDADMM O=C(c1cc(Cl)cs1)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571123989 952531803 /nfs/dbraw/zinc/53/18/03/952531803.db2.gz WVUBYHBJKUDQFT-SECBINFHSA-N -1 1 376.833 1.698 20 0 GDADMM O=C(c1cc(Cl)cs1)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571123989 952531808 /nfs/dbraw/zinc/53/18/08/952531808.db2.gz WVUBYHBJKUDQFT-SECBINFHSA-N -1 1 376.833 1.698 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N(C)[C@@H]2CCCN(C(=O)[C@H](F)CC)C2)n1 ZINC001571124052 952534164 /nfs/dbraw/zinc/53/41/64/952534164.db2.gz YBCHTTHEAKAIOT-VXGBXAGGSA-N -1 1 376.440 1.394 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N(C)[C@@H]2CCCN(C(=O)[C@H](F)CC)C2)n1 ZINC001571124052 952534165 /nfs/dbraw/zinc/53/41/65/952534165.db2.gz YBCHTTHEAKAIOT-VXGBXAGGSA-N -1 1 376.440 1.394 20 0 GDADMM CCOC(=O)[C@@]1(F)CN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)C[C@@H]1CC ZINC001571124212 952534554 /nfs/dbraw/zinc/53/45/54/952534554.db2.gz BDGNYICAHWSPDA-MGPLVRAMSA-N -1 1 377.380 1.407 20 0 GDADMM CCOC(=O)[C@@]1(F)CN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)C[C@@H]1CC ZINC001571124212 952534556 /nfs/dbraw/zinc/53/45/56/952534556.db2.gz BDGNYICAHWSPDA-MGPLVRAMSA-N -1 1 377.380 1.407 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575214444 952564324 /nfs/dbraw/zinc/56/43/24/952564324.db2.gz KVOWFWHRTICJBK-JTQLQIEISA-N -1 1 380.403 1.281 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575214444 952564329 /nfs/dbraw/zinc/56/43/29/952564329.db2.gz KVOWFWHRTICJBK-JTQLQIEISA-N -1 1 380.403 1.281 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575214922 952566425 /nfs/dbraw/zinc/56/64/25/952566425.db2.gz PQGKNZOFCFLYBZ-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575214922 952566429 /nfs/dbraw/zinc/56/64/29/952566429.db2.gz PQGKNZOFCFLYBZ-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575214917 952566634 /nfs/dbraw/zinc/56/66/34/952566634.db2.gz PJPZUCDZERECLI-SNVBAGLBSA-N -1 1 380.403 1.423 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575214917 952566636 /nfs/dbraw/zinc/56/66/36/952566636.db2.gz PJPZUCDZERECLI-SNVBAGLBSA-N -1 1 380.403 1.423 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575215504 952569026 /nfs/dbraw/zinc/56/90/26/952569026.db2.gz VACVDANBKDVALW-UHFFFAOYSA-N -1 1 380.403 1.377 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575215504 952569030 /nfs/dbraw/zinc/56/90/30/952569030.db2.gz VACVDANBKDVALW-UHFFFAOYSA-N -1 1 380.403 1.377 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001575215868 952570511 /nfs/dbraw/zinc/57/05/11/952570511.db2.gz XOMZBOXXVOHIAA-PHIMTYICSA-N -1 1 392.414 1.233 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)C1(C(F)F)CC1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571129507 952575315 /nfs/dbraw/zinc/57/53/15/952575315.db2.gz FPVKNCFMTAKOCA-SNVBAGLBSA-N -1 1 378.387 1.129 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)C1(C(F)F)CC1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571129507 952575318 /nfs/dbraw/zinc/57/53/18/952575318.db2.gz FPVKNCFMTAKOCA-SNVBAGLBSA-N -1 1 378.387 1.129 20 0 GDADMM O=C(NC[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CC(F)(F)C1 ZINC001571129841 952577843 /nfs/dbraw/zinc/57/78/43/952577843.db2.gz KKAVYOALPOLECT-JTQLQIEISA-N -1 1 378.387 1.035 20 0 GDADMM O=C(NC[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CC(F)(F)C1 ZINC001571129841 952577846 /nfs/dbraw/zinc/57/78/46/952577846.db2.gz KKAVYOALPOLECT-JTQLQIEISA-N -1 1 378.387 1.035 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](NC(=O)C3(C)CC(F)(F)C3)C2)n1 ZINC001571130694 952581771 /nfs/dbraw/zinc/58/17/71/952581771.db2.gz UQSKFHFSZNWBJI-SNVBAGLBSA-N -1 1 378.387 1.095 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)C3(C)CC(F)(F)C3)C2)n1 ZINC001571130694 952581775 /nfs/dbraw/zinc/58/17/75/952581775.db2.gz UQSKFHFSZNWBJI-SNVBAGLBSA-N -1 1 378.387 1.095 20 0 GDADMM Cc1cccc(C(=O)NC[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)c1C ZINC001571134092 952584817 /nfs/dbraw/zinc/58/48/17/952584817.db2.gz DLMJVYJUMKPSJZ-CQSZACIVSA-N -1 1 378.440 1.530 20 0 GDADMM Cc1cccc(C(=O)NC[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)c1C ZINC001571134092 952584819 /nfs/dbraw/zinc/58/48/19/952584819.db2.gz DLMJVYJUMKPSJZ-CQSZACIVSA-N -1 1 378.440 1.530 20 0 GDADMM Cc1ccccc1[C@H](C)C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571134296 952588275 /nfs/dbraw/zinc/58/82/75/952588275.db2.gz HICISEOVBLLEHQ-KBPBESRZSA-N -1 1 378.440 1.782 20 0 GDADMM Cc1ccccc1[C@H](C)C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571134296 952588278 /nfs/dbraw/zinc/58/82/78/952588278.db2.gz HICISEOVBLLEHQ-KBPBESRZSA-N -1 1 378.440 1.782 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccccc2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571134626 952592974 /nfs/dbraw/zinc/59/29/74/952592974.db2.gz ISHYMWIGLQJUQN-HIFRSBDPSA-N -1 1 378.440 1.867 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccccc2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571134626 952592976 /nfs/dbraw/zinc/59/29/76/952592976.db2.gz ISHYMWIGLQJUQN-HIFRSBDPSA-N -1 1 378.440 1.867 20 0 GDADMM Cc1ccccc1C(=O)NC[C@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571135124 952599863 /nfs/dbraw/zinc/59/98/63/952599863.db2.gz RWJSJRCFEXCIJC-CQSZACIVSA-N -1 1 378.440 1.754 20 0 GDADMM Cc1ccccc1C(=O)NC[C@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571135124 952599866 /nfs/dbraw/zinc/59/98/66/952599866.db2.gz RWJSJRCFEXCIJC-CQSZACIVSA-N -1 1 378.440 1.754 20 0 GDADMM COC(=O)c1ccc(CNC(=O)NCc2ccc(-c3nn[n-]n3)s2)s1 ZINC001571135188 952600997 /nfs/dbraw/zinc/60/09/97/952600997.db2.gz QWBLRZYQPUBSJH-UHFFFAOYSA-N -1 1 378.439 1.776 20 0 GDADMM Cc1ccc(C)c(C(=O)NC[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571135425 952604057 /nfs/dbraw/zinc/60/40/57/952604057.db2.gz XNCLBDZHPRECEM-OKILXGFUSA-N -1 1 378.440 1.894 20 0 GDADMM Cc1ccc(C)c(C(=O)NC[C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571135425 952604059 /nfs/dbraw/zinc/60/40/59/952604059.db2.gz XNCLBDZHPRECEM-OKILXGFUSA-N -1 1 378.440 1.894 20 0 GDADMM Cc1ccccc1C(=O)N1CCC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571135528 952605021 /nfs/dbraw/zinc/60/50/21/952605021.db2.gz ZWBLBWVYCMKVHW-CQSZACIVSA-N -1 1 378.440 1.351 20 0 GDADMM Cc1cc(C)c(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)c(C)c1 ZINC001571135539 952605502 /nfs/dbraw/zinc/60/55/02/952605502.db2.gz WGAZWIUGLZODRH-AWEZNQCLSA-N -1 1 378.440 1.909 20 0 GDADMM Cc1cc(C)c(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)c(C)c1 ZINC001571135539 952605506 /nfs/dbraw/zinc/60/55/06/952605506.db2.gz WGAZWIUGLZODRH-AWEZNQCLSA-N -1 1 378.440 1.909 20 0 GDADMM COc1cccnc1N(C)C(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001571139943 952622020 /nfs/dbraw/zinc/62/20/20/952622020.db2.gz LFVBABCKKCCLOY-UHFFFAOYSA-N -1 1 379.302 1.961 20 0 GDADMM Cn1ccc(C(=O)N2CC[C@H](Nc3snc(Cl)c3-c3nnn[n-]3)C2)c1 ZINC001571140512 952626367 /nfs/dbraw/zinc/62/63/67/952626367.db2.gz BQTVDNYNFPBQRW-VIFPVBQESA-N -1 1 378.849 1.642 20 0 GDADMM Cn1ccc(C(=O)N2CC[C@H](Nc3snc(Cl)c3-c3nn[n-]n3)C2)c1 ZINC001571140512 952626368 /nfs/dbraw/zinc/62/63/68/952626368.db2.gz BQTVDNYNFPBQRW-VIFPVBQESA-N -1 1 378.849 1.642 20 0 GDADMM Cc1cc(Oc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)ccc1Br ZINC001571140483 952626635 /nfs/dbraw/zinc/62/66/35/952626635.db2.gz ASRMFFYBXQPNAS-UHFFFAOYSA-N -1 1 379.174 1.117 20 0 GDADMM Cc1c(-c2nn[n-]n2)c(=O)n(CCSc2cccc(Cl)c2)c(=O)n1C ZINC001571140551 952627079 /nfs/dbraw/zinc/62/70/79/952627079.db2.gz CPQHJDHBXLNVTK-UHFFFAOYSA-N -1 1 378.845 1.481 20 0 GDADMM CN(C[C@H]1CCCCN1C(=O)c1ccncc1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571147145 952657670 /nfs/dbraw/zinc/65/76/70/952657670.db2.gz HJXASNIPYFSOCP-CQSZACIVSA-N -1 1 379.428 1.183 20 0 GDADMM CN(C[C@H]1CCCCN1C(=O)c1ccncc1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571147145 952657673 /nfs/dbraw/zinc/65/76/73/952657673.db2.gz HJXASNIPYFSOCP-CQSZACIVSA-N -1 1 379.428 1.183 20 0 GDADMM CCc1cncc(C(=O)N[C@H]2C[C@@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)c1 ZINC001571147787 952663275 /nfs/dbraw/zinc/66/32/75/952663275.db2.gz QGCHJIUJRJOSKB-OKILXGFUSA-N -1 1 379.428 1.295 20 0 GDADMM CCc1cncc(C(=O)N[C@H]2C[C@@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)c1 ZINC001571147787 952663278 /nfs/dbraw/zinc/66/32/78/952663278.db2.gz QGCHJIUJRJOSKB-OKILXGFUSA-N -1 1 379.428 1.295 20 0 GDADMM CCc1ccnc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571148214 952665345 /nfs/dbraw/zinc/66/53/45/952665345.db2.gz VPJASFPWIHLLML-CYBMUJFWSA-N -1 1 379.428 1.013 20 0 GDADMM CCc1ccnc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571148214 952665347 /nfs/dbraw/zinc/66/53/47/952665347.db2.gz VPJASFPWIHLLML-CYBMUJFWSA-N -1 1 379.428 1.013 20 0 GDADMM O=C(N[C@H]1CCCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1)c1ccoc1 ZINC001571154192 952689295 /nfs/dbraw/zinc/68/92/95/952689295.db2.gz ZJOWSYFOWFJAQP-VIFPVBQESA-N -1 1 379.833 1.968 20 0 GDADMM CCOc1ccccc1C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571155171 952693857 /nfs/dbraw/zinc/69/38/57/952693857.db2.gz JRVAVNDYQZBGGY-GFCCVEGCSA-N -1 1 380.412 1.382 20 0 GDADMM CCOc1ccccc1C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571155171 952693860 /nfs/dbraw/zinc/69/38/60/952693860.db2.gz JRVAVNDYQZBGGY-GFCCVEGCSA-N -1 1 380.412 1.382 20 0 GDADMM CCc1occc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1 ZINC001571155382 952695417 /nfs/dbraw/zinc/69/54/17/952695417.db2.gz QAPUHRGUZYTUDN-WXHSDQCUSA-N -1 1 380.412 1.352 20 0 GDADMM CCc1occc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1 ZINC001571155382 952695420 /nfs/dbraw/zinc/69/54/20/952695420.db2.gz QAPUHRGUZYTUDN-WXHSDQCUSA-N -1 1 380.412 1.352 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C(C)(F)F ZINC001571155383 952695917 /nfs/dbraw/zinc/69/59/17/952695917.db2.gz QAVCIZIHQLHKOB-GHMZBOCLSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C(C)(F)F ZINC001571155383 952695918 /nfs/dbraw/zinc/69/59/18/952695918.db2.gz QAVCIZIHQLHKOB-GHMZBOCLSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1)C(C)(F)F ZINC001571155435 952697230 /nfs/dbraw/zinc/69/72/30/952697230.db2.gz RTDGCBZBDRRJFD-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001571155435 952697232 /nfs/dbraw/zinc/69/72/32/952697232.db2.gz RTDGCBZBDRRJFD-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H]1CC[C@@H](NC(=O)c2ccccc2O)CN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571155500 952698155 /nfs/dbraw/zinc/69/81/55/952698155.db2.gz UPMBXBSGUNYPLK-VXGBXAGGSA-N -1 1 380.412 1.150 20 0 GDADMM Cc1cnccc1C(=O)N[C@H]1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571156101 952700818 /nfs/dbraw/zinc/70/08/18/952700818.db2.gz CJINILPUNYVUNI-OCCSQVGLSA-N -1 1 379.428 1.371 20 0 GDADMM Cc1cnccc1C(=O)N[C@H]1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571156101 952700819 /nfs/dbraw/zinc/70/08/19/952700819.db2.gz CJINILPUNYVUNI-OCCSQVGLSA-N -1 1 379.428 1.371 20 0 GDADMM Cc1cnccc1C(=O)N1CCC(C)(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571156070 952700854 /nfs/dbraw/zinc/70/08/54/952700854.db2.gz CACLZIPVCMZGGB-UHFFFAOYSA-N -1 1 379.428 1.467 20 0 GDADMM Cc1cnccc1C(=O)N1CCC(C)(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571156070 952700858 /nfs/dbraw/zinc/70/08/58/952700858.db2.gz CACLZIPVCMZGGB-UHFFFAOYSA-N -1 1 379.428 1.467 20 0 GDADMM Cc1cccnc1C(=O)N1CC[C@@H]([C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571156645 952702347 /nfs/dbraw/zinc/70/23/47/952702347.db2.gz GBHUNHSGTHVVLC-CHWSQXEVSA-N -1 1 379.428 1.323 20 0 GDADMM Cc1cccnc1C(=O)N1CC[C@@H]([C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571156645 952702351 /nfs/dbraw/zinc/70/23/51/952702351.db2.gz GBHUNHSGTHVVLC-CHWSQXEVSA-N -1 1 379.428 1.323 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CN(C(=O)c3ncccc3C)C[C@H]2C)n1 ZINC001571156651 952703539 /nfs/dbraw/zinc/70/35/39/952703539.db2.gz GDDYASRWUJTWMD-RISCZKNCSA-N -1 1 379.428 1.241 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CN(C(=O)c3ncccc3C)C[C@H]2C)n1 ZINC001571156651 952703543 /nfs/dbraw/zinc/70/35/43/952703543.db2.gz GDDYASRWUJTWMD-RISCZKNCSA-N -1 1 379.428 1.241 20 0 GDADMM Cc1ccncc1C(=O)N[C@H]1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571157092 952706354 /nfs/dbraw/zinc/70/63/54/952706354.db2.gz MJKWNGVSIASCEM-JSGCOSHPSA-N -1 1 379.428 1.371 20 0 GDADMM Cc1ccncc1C(=O)N[C@H]1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571157092 952706358 /nfs/dbraw/zinc/70/63/58/952706358.db2.gz MJKWNGVSIASCEM-JSGCOSHPSA-N -1 1 379.428 1.371 20 0 GDADMM Cc1cccc(C(=O)NC2(C)CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)n1 ZINC001571157969 952708856 /nfs/dbraw/zinc/70/88/56/952708856.db2.gz PAFLAIOMXAXTFM-UHFFFAOYSA-N -1 1 379.428 1.149 20 0 GDADMM Cc1cccc(C(=O)NC2(C)CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)n1 ZINC001571157969 952708857 /nfs/dbraw/zinc/70/88/57/952708857.db2.gz PAFLAIOMXAXTFM-UHFFFAOYSA-N -1 1 379.428 1.149 20 0 GDADMM COc1cccc(C(=O)N2C[C@H](Nc3nccnc3-c3nnn[n-]3)[C@@H](C)C2)c1 ZINC001571158261 952709803 /nfs/dbraw/zinc/70/98/03/952709803.db2.gz GARQXZBZHAGFCR-FZMZJTMJSA-N -1 1 380.412 1.238 20 0 GDADMM COc1cccc(C(=O)N2C[C@H](Nc3nccnc3-c3nn[n-]n3)[C@@H](C)C2)c1 ZINC001571158261 952709805 /nfs/dbraw/zinc/70/98/05/952709805.db2.gz GARQXZBZHAGFCR-FZMZJTMJSA-N -1 1 380.412 1.238 20 0 GDADMM Cc1ccc(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nnn[n-]2)o1 ZINC001571159254 952717421 /nfs/dbraw/zinc/71/74/21/952717421.db2.gz SEDSGGIWPMNDOA-BNOWGMLFSA-N -1 1 380.412 1.027 20 0 GDADMM Cc1ccc(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nn[n-]n2)o1 ZINC001571159254 952717424 /nfs/dbraw/zinc/71/74/24/952717424.db2.gz SEDSGGIWPMNDOA-BNOWGMLFSA-N -1 1 380.412 1.027 20 0 GDADMM O=C(N[C@@H]1CC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@@H]2C1)c1ccoc1 ZINC001571160100 952724217 /nfs/dbraw/zinc/72/42/17/952724217.db2.gz DQQFOFNIAGGQCD-FPMFFAJLSA-N -1 1 380.412 1.285 20 0 GDADMM O=C(N[C@@H]1CC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@@H]2C1)c1ccoc1 ZINC001571160100 952724220 /nfs/dbraw/zinc/72/42/20/952724220.db2.gz DQQFOFNIAGGQCD-FPMFFAJLSA-N -1 1 380.412 1.285 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CCC[C@H]2CNc2cnc(-c3nnn[n-]3)cn2)ccn1 ZINC001571160353 952725978 /nfs/dbraw/zinc/72/59/78/952725978.db2.gz ZIRAYYDWWACSJA-UONOGXRCSA-N -1 1 379.428 1.371 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CCC[C@H]2CNc2cnc(-c3nn[n-]n3)cn2)ccn1 ZINC001571160353 952725983 /nfs/dbraw/zinc/72/59/83/952725983.db2.gz ZIRAYYDWWACSJA-UONOGXRCSA-N -1 1 379.428 1.371 20 0 GDADMM Cc1occc1C(=O)N[C@@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2 ZINC001571161019 952729369 /nfs/dbraw/zinc/72/93/69/952729369.db2.gz OTZOOVWCYIGAOE-CHWSQXEVSA-N -1 1 380.412 1.133 20 0 GDADMM Cc1occc1C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1nccnc1-c1nnn[n-]1)C2 ZINC001571161644 952734035 /nfs/dbraw/zinc/73/40/35/952734035.db2.gz ZMYGBGVAYPYFHZ-AVGNSLFASA-N -1 1 380.412 1.345 20 0 GDADMM Cc1occc1C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1nccnc1-c1nn[n-]n1)C2 ZINC001571161644 952734038 /nfs/dbraw/zinc/73/40/38/952734038.db2.gz ZMYGBGVAYPYFHZ-AVGNSLFASA-N -1 1 380.412 1.345 20 0 GDADMM O=C(C1=CCCC1)N1CCC[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CC[C@H]21 ZINC001571171720 952795853 /nfs/dbraw/zinc/79/58/53/952795853.db2.gz DZJUOLUMBVWKQV-HUUCEWRRSA-N -1 1 380.456 1.584 20 0 GDADMM C[C@@H]1C[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CN1C(=O)c1ccon1 ZINC001571172014 952799949 /nfs/dbraw/zinc/79/99/49/952799949.db2.gz KMCRTUPLTGFVFX-RNFRBKRXSA-N -1 1 380.821 1.680 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2nc(Cl)c(-c3nnn[n-]3)s2)C1)c1cocn1 ZINC001571172539 952806608 /nfs/dbraw/zinc/80/66/08/952806608.db2.gz WPAUMFCQGBBQNW-LJGSYFOKSA-N -1 1 380.821 1.585 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2nc(Cl)c(-c3nn[n-]n3)s2)C1)c1cocn1 ZINC001571172539 952806612 /nfs/dbraw/zinc/80/66/12/952806612.db2.gz WPAUMFCQGBBQNW-LJGSYFOKSA-N -1 1 380.821 1.585 20 0 GDADMM O=C(c1cnc(C2CC2)o1)N1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571178324 952839020 /nfs/dbraw/zinc/83/90/20/952839020.db2.gz GACWCDNPZOQVOS-SNVBAGLBSA-N -1 1 381.400 1.096 20 0 GDADMM O=C(c1cnc(C2CC2)o1)N1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571178324 952839021 /nfs/dbraw/zinc/83/90/21/952839021.db2.gz GACWCDNPZOQVOS-SNVBAGLBSA-N -1 1 381.400 1.096 20 0 GDADMM O=C(c1cc(C2CC2)on1)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571178808 952847968 /nfs/dbraw/zinc/84/79/68/952847968.db2.gz VBJCSSWFZAJTBG-LLVKDONJSA-N -1 1 381.400 1.239 20 0 GDADMM O=C(c1cc(C2CC2)on1)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571178808 952847979 /nfs/dbraw/zinc/84/79/79/952847979.db2.gz VBJCSSWFZAJTBG-LLVKDONJSA-N -1 1 381.400 1.239 20 0 GDADMM CC(C)Cc1c[nH]c(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571179957 952857348 /nfs/dbraw/zinc/85/73/48/952857348.db2.gz LAQXRZKYOMUEMC-ZDUSSCGKSA-N -1 1 381.444 1.192 20 0 GDADMM CC(C)Cc1c[nH]c(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571179957 952857353 /nfs/dbraw/zinc/85/73/53/952857353.db2.gz LAQXRZKYOMUEMC-ZDUSSCGKSA-N -1 1 381.444 1.192 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)[C@H](C)n3cccc3)C2)cc(-c2nnn[n-]2)n1 ZINC001571183466 952878550 /nfs/dbraw/zinc/87/85/50/952878550.db2.gz BBIXOPOOZHNDCH-QWHCGFSZSA-N -1 1 381.444 1.295 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)[C@H](C)n3cccc3)C2)cc(-c2nn[n-]n2)n1 ZINC001571183466 952878553 /nfs/dbraw/zinc/87/85/53/952878553.db2.gz BBIXOPOOZHNDCH-QWHCGFSZSA-N -1 1 381.444 1.295 20 0 GDADMM C[C@@H]1CN(C(=O)Cc2ccc[nH]2)CC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571183599 952881392 /nfs/dbraw/zinc/88/13/92/952881392.db2.gz FKZPRLCPOXPPFT-CHWSQXEVSA-N -1 1 381.444 1.124 20 0 GDADMM C[C@@H]1CN(C(=O)Cc2ccc[nH]2)CC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571183599 952881397 /nfs/dbraw/zinc/88/13/97/952881397.db2.gz FKZPRLCPOXPPFT-CHWSQXEVSA-N -1 1 381.444 1.124 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571184028 952887501 /nfs/dbraw/zinc/88/75/01/952887501.db2.gz OQROEUMGZBVFIT-ZDUSSCGKSA-N -1 1 381.444 1.295 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571184028 952887505 /nfs/dbraw/zinc/88/75/05/952887505.db2.gz OQROEUMGZBVFIT-ZDUSSCGKSA-N -1 1 381.444 1.295 20 0 GDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCCN(C(=O)c2cccn2C)C1 ZINC001571184395 952891857 /nfs/dbraw/zinc/89/18/57/952891857.db2.gz YJUNNLRGWHUBTN-CHWSQXEVSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCCN(C(=O)c2cccn2C)C1 ZINC001571184395 952891866 /nfs/dbraw/zinc/89/18/66/952891866.db2.gz YJUNNLRGWHUBTN-CHWSQXEVSA-N -1 1 381.444 1.348 20 0 GDADMM CC1(C)C[C@H](NC(=O)c2ccc[nH]2)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571184424 952893175 /nfs/dbraw/zinc/89/31/75/952893175.db2.gz YYWBWEVDNUMJDN-GFCCVEGCSA-N -1 1 381.444 1.410 20 0 GDADMM Cc1cc(C)c(C(=O)N2CCC[C@@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)[nH]1 ZINC001571184629 952895028 /nfs/dbraw/zinc/89/50/28/952895028.db2.gz BTYWKXPFPGORLF-CYBMUJFWSA-N -1 1 381.444 1.627 20 0 GDADMM Cc1cc(C)c(C(=O)N2CCC[C@@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)[nH]1 ZINC001571184629 952895030 /nfs/dbraw/zinc/89/50/30/952895030.db2.gz BTYWKXPFPGORLF-CYBMUJFWSA-N -1 1 381.444 1.627 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CCC[C@@H](C)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571185572 952902035 /nfs/dbraw/zinc/90/20/35/952902035.db2.gz NDAKPNIEBDNPJJ-ABAIWWIYSA-N -1 1 381.444 1.646 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CCC[C@@H](C)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571185572 952902039 /nfs/dbraw/zinc/90/20/39/952902039.db2.gz NDAKPNIEBDNPJJ-ABAIWWIYSA-N -1 1 381.444 1.646 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CCC[C@@H]([C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571186059 952904149 /nfs/dbraw/zinc/90/41/49/952904149.db2.gz RAKZVGQUUSCSBM-CHWSQXEVSA-N -1 1 381.444 1.646 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CCC[C@@H]([C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571186059 952904154 /nfs/dbraw/zinc/90/41/54/952904154.db2.gz RAKZVGQUUSCSBM-CHWSQXEVSA-N -1 1 381.444 1.646 20 0 GDADMM CCn1ccc(C(=O)N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1C ZINC001571186343 952907210 /nfs/dbraw/zinc/90/72/10/952907210.db2.gz WYQHCFOZHVBXKQ-ZDUSSCGKSA-N -1 1 381.444 1.503 20 0 GDADMM CCn1ccc(C(=O)N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1C ZINC001571186343 952907213 /nfs/dbraw/zinc/90/72/13/952907213.db2.gz WYQHCFOZHVBXKQ-ZDUSSCGKSA-N -1 1 381.444 1.503 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CCCC[C@H]1[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001571186586 952907990 /nfs/dbraw/zinc/90/79/90/952907990.db2.gz XRUZEXHSIUYXGK-WFASDCNBSA-N -1 1 381.444 1.789 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CCCC[C@H]1[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001571186586 952907994 /nfs/dbraw/zinc/90/79/94/952907994.db2.gz XRUZEXHSIUYXGK-WFASDCNBSA-N -1 1 381.444 1.789 20 0 GDADMM Cc1ccn(C)c1C(=O)N[C@H]1CC[C@H](C)N(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571189052 952923902 /nfs/dbraw/zinc/92/39/02/952923902.db2.gz QXZPDYDRJWSVBO-STQMWFEESA-N -1 1 381.444 1.091 20 0 GDADMM Cc1cc(C)c(C(=O)N2CC[C@](C)(CNc3cnc(-c4nnn[n-]4)cn3)C2)[nH]1 ZINC001571189099 952924147 /nfs/dbraw/zinc/92/41/47/952924147.db2.gz SBDYJLZJZBENMU-GOSISDBHSA-N -1 1 381.444 1.566 20 0 GDADMM Cc1cc(C)c(C(=O)N2CC[C@](C)(CNc3cnc(-c4nn[n-]n4)cn3)C2)[nH]1 ZINC001571189099 952924154 /nfs/dbraw/zinc/92/41/54/952924154.db2.gz SBDYJLZJZBENMU-GOSISDBHSA-N -1 1 381.444 1.566 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CC[C@H](CNc3nccnc3-c3nnn[n-]3)C2)c(C)[nH]1 ZINC001571189245 952926184 /nfs/dbraw/zinc/92/61/84/952926184.db2.gz TZBGMSMUYQJXJU-QWHCGFSZSA-N -1 1 381.444 1.612 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CC[C@H](CNc3nccnc3-c3nn[n-]n3)C2)c(C)[nH]1 ZINC001571189245 952926187 /nfs/dbraw/zinc/92/61/87/952926187.db2.gz TZBGMSMUYQJXJU-QWHCGFSZSA-N -1 1 381.444 1.612 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CC[C@H](CNc3nccnc3-c3nnn[n-]3)C2)c(C)[nH]1 ZINC001571189247 952926694 /nfs/dbraw/zinc/92/66/94/952926694.db2.gz TZBGMSMUYQJXJU-STQMWFEESA-N -1 1 381.444 1.612 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CC[C@H](CNc3nccnc3-c3nn[n-]n3)C2)c(C)[nH]1 ZINC001571189247 952926701 /nfs/dbraw/zinc/92/67/01/952926701.db2.gz TZBGMSMUYQJXJU-STQMWFEESA-N -1 1 381.444 1.612 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)[C@@H]2C)n1C ZINC001571189561 952930812 /nfs/dbraw/zinc/93/08/12/952930812.db2.gz XLWOBSLLVWCWEY-CHWSQXEVSA-N -1 1 381.444 1.091 20 0 GDADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NCc1cccc2c1OCCCO2 ZINC001571194102 952958606 /nfs/dbraw/zinc/95/86/06/952958606.db2.gz GJPNVNFFDQZWJJ-UHFFFAOYSA-N -1 1 382.380 1.367 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@H](NC(=O)c3cc(F)ccc3C)C2)n1 ZINC001571195776 952979270 /nfs/dbraw/zinc/97/92/70/952979270.db2.gz FWTXBOKTAIPJCN-JOCQHMNTSA-N -1 1 382.403 1.786 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@H](NC(=O)c3cc(F)ccc3C)C2)n1 ZINC001571195776 952979272 /nfs/dbraw/zinc/97/92/72/952979272.db2.gz FWTXBOKTAIPJCN-JOCQHMNTSA-N -1 1 382.403 1.786 20 0 GDADMM C[C@H]1CN(C(=O)c2cccc(F)c2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571197305 952988327 /nfs/dbraw/zinc/98/83/27/952988327.db2.gz VXEDDKLYEJBQNF-WCQYABFASA-N -1 1 382.403 1.616 20 0 GDADMM C[C@H]1CN(C(=O)c2cccc(F)c2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571197305 952988331 /nfs/dbraw/zinc/98/83/31/952988331.db2.gz VXEDDKLYEJBQNF-WCQYABFASA-N -1 1 382.403 1.616 20 0 GDADMM Cc1cc(C(=O)NCC2CC(Nc3nccnc3-c3nnn[n-]3)C2)ccc1F ZINC001571197388 952989396 /nfs/dbraw/zinc/98/93/96/952989396.db2.gz YSNBJJFXPRVYLQ-UHFFFAOYSA-N -1 1 382.403 1.725 20 0 GDADMM Cc1cc(C(=O)NCC2CC(Nc3nccnc3-c3nn[n-]n3)C2)ccc1F ZINC001571197388 952989400 /nfs/dbraw/zinc/98/94/00/952989400.db2.gz YSNBJJFXPRVYLQ-UHFFFAOYSA-N -1 1 382.403 1.725 20 0 GDADMM Cc1ccc(F)cc1C(=O)NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571197395 952989523 /nfs/dbraw/zinc/98/95/23/952989523.db2.gz ZCKZJBYGQOMDED-CYBMUJFWSA-N -1 1 382.403 1.503 20 0 GDADMM Cc1ccc(F)cc1C(=O)NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571197395 952989527 /nfs/dbraw/zinc/98/95/27/952989527.db2.gz ZCKZJBYGQOMDED-CYBMUJFWSA-N -1 1 382.403 1.503 20 0 GDADMM CCc1nc(NC[C@@H]2CCN(C(=O)Cc3ccco3)C2)cc(-c2nnn[n-]2)n1 ZINC001571199659 953002884 /nfs/dbraw/zinc/00/28/84/953002884.db2.gz XYHRCAAWWKENOL-LBPRGKRZSA-N -1 1 382.428 1.315 20 0 GDADMM CCc1nc(NC[C@@H]2CCN(C(=O)Cc3ccco3)C2)cc(-c2nn[n-]n2)n1 ZINC001571199659 953002887 /nfs/dbraw/zinc/00/28/87/953002887.db2.gz XYHRCAAWWKENOL-LBPRGKRZSA-N -1 1 382.428 1.315 20 0 GDADMM Cc1cc(C(=O)N2CCCC[C@@H]2CNc2nc(C)cc(-c3nnn[n-]3)n2)co1 ZINC001571200138 953007501 /nfs/dbraw/zinc/00/75/01/953007501.db2.gz AXRMCAFHIOROBI-CQSZACIVSA-N -1 1 382.428 1.973 20 0 GDADMM Cc1cc(C(=O)N2CCCC[C@@H]2CNc2nc(C)cc(-c3nn[n-]n3)n2)co1 ZINC001571200138 953007503 /nfs/dbraw/zinc/00/75/03/953007503.db2.gz AXRMCAFHIOROBI-CQSZACIVSA-N -1 1 382.428 1.973 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@H]2CC[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)o1 ZINC001571201722 953019479 /nfs/dbraw/zinc/01/94/79/953019479.db2.gz NMSUDIJMHJSJKB-OLZOCXBDSA-N -1 1 382.428 1.877 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@H]2CC[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)o1 ZINC001571201722 953019482 /nfs/dbraw/zinc/01/94/82/953019482.db2.gz NMSUDIJMHJSJKB-OLZOCXBDSA-N -1 1 382.428 1.877 20 0 GDADMM Cc1coc(C)c1C(=O)N1CCC(CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571201671 953020018 /nfs/dbraw/zinc/02/00/18/953020018.db2.gz MVDNCFFWACBOBL-UHFFFAOYSA-N -1 1 382.428 1.831 20 0 GDADMM Cc1coc(C)c1C(=O)N1CCC(CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571201671 953020021 /nfs/dbraw/zinc/02/00/21/953020021.db2.gz MVDNCFFWACBOBL-UHFFFAOYSA-N -1 1 382.428 1.831 20 0 GDADMM C[C@H]1CCCN(C(=O)Cc2ccoc2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571201946 953021759 /nfs/dbraw/zinc/02/17/59/953021759.db2.gz UCNYRLNZHHRIJM-WFASDCNBSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@H]1CCCN(C(=O)Cc2ccoc2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571201946 953021762 /nfs/dbraw/zinc/02/17/62/953021762.db2.gz UCNYRLNZHHRIJM-WFASDCNBSA-N -1 1 382.428 1.531 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)Cc3ccoc3)C[C@@H]2C)n1 ZINC001571202053 953022052 /nfs/dbraw/zinc/02/20/52/953022052.db2.gz QHFRGHXKIBJTOU-SMDDNHRTSA-N -1 1 382.428 1.450 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)Cc3ccoc3)C[C@@H]2C)n1 ZINC001571202053 953022055 /nfs/dbraw/zinc/02/20/55/953022055.db2.gz QHFRGHXKIBJTOU-SMDDNHRTSA-N -1 1 382.428 1.450 20 0 GDADMM Cc1ccc(CC(=O)N2CCC[C@@H](N(C)c3cncc(-c4nnn[n-]4)n3)C2)o1 ZINC001571202214 953022973 /nfs/dbraw/zinc/02/29/73/953022973.db2.gz RUIRYBGTBAHAIO-CYBMUJFWSA-N -1 1 382.428 1.228 20 0 GDADMM Cc1ccc(CC(=O)N2CCC[C@@H](N(C)c3cncc(-c4nn[n-]n4)n3)C2)o1 ZINC001571202214 953022980 /nfs/dbraw/zinc/02/29/80/953022980.db2.gz RUIRYBGTBAHAIO-CYBMUJFWSA-N -1 1 382.428 1.228 20 0 GDADMM Cc1ccoc1C(=O)N1CCCC[C@H]1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001571202224 953023947 /nfs/dbraw/zinc/02/39/47/953023947.db2.gz RUMSFIZMIGODPO-ZDUSSCGKSA-N -1 1 382.428 1.973 20 0 GDADMM Cc1ccoc1C(=O)N1CCCC[C@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001571202224 953023953 /nfs/dbraw/zinc/02/39/53/953023953.db2.gz RUMSFIZMIGODPO-ZDUSSCGKSA-N -1 1 382.428 1.973 20 0 GDADMM O=C(NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)c1ccccc1F ZINC001571202480 953025850 /nfs/dbraw/zinc/02/58/50/953025850.db2.gz YJZDFLBLQBDTPX-UHFFFAOYSA-N -1 1 382.403 1.442 20 0 GDADMM CC(C)n1cc(C(=O)N[C@H]2C[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001571205031 953034721 /nfs/dbraw/zinc/03/47/21/953034721.db2.gz FRXIQGCCFIKOMY-AULYBMBSSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cc(C(=O)N[C@H]2C[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001571205031 953034727 /nfs/dbraw/zinc/03/47/27/953034727.db2.gz FRXIQGCCFIKOMY-AULYBMBSSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cnc(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)[C@H]2C)c1 ZINC001571205129 953035629 /nfs/dbraw/zinc/03/56/29/953035629.db2.gz FYOZBRAARFYTAB-NEPJUHHUSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1cnc(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)[C@H]2C)c1 ZINC001571205129 953035634 /nfs/dbraw/zinc/03/56/34/953035634.db2.gz FYOZBRAARFYTAB-NEPJUHHUSA-N -1 1 382.432 1.149 20 0 GDADMM CCn1cnc(C(=O)N[C@@H]2CCC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571206381 953050396 /nfs/dbraw/zinc/05/03/96/953050396.db2.gz FUFJSNNVEHRPMO-NWDGAFQWSA-N -1 1 382.432 1.026 20 0 GDADMM CCn1cnc(C(=O)N[C@@H]2CCC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571206381 953050397 /nfs/dbraw/zinc/05/03/97/953050397.db2.gz FUFJSNNVEHRPMO-NWDGAFQWSA-N -1 1 382.432 1.026 20 0 GDADMM Cc1c[nH]nc1C(=O)N1CCC[C@@H]([C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571207537 953064358 /nfs/dbraw/zinc/06/43/58/953064358.db2.gz VYMYXMCNXFEEMM-VXGBXAGGSA-N -1 1 382.432 1.041 20 0 GDADMM Cc1c[nH]nc1C(=O)N1CCC[C@@H]([C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571207537 953064362 /nfs/dbraw/zinc/06/43/62/953064362.db2.gz VYMYXMCNXFEEMM-VXGBXAGGSA-N -1 1 382.432 1.041 20 0 GDADMM Cc1ccsc1C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001571210343 953071327 /nfs/dbraw/zinc/07/13/27/953071327.db2.gz PHGACDBZCMHBAI-CNDDSTCGSA-N -1 1 382.453 1.139 20 0 GDADMM Cc1ccsc1C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571210343 953071329 /nfs/dbraw/zinc/07/13/29/953071329.db2.gz PHGACDBZCMHBAI-CNDDSTCGSA-N -1 1 382.453 1.139 20 0 GDADMM O=C(NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1)c1ccnc(C2CC2)n1 ZINC001571210401 953071923 /nfs/dbraw/zinc/07/19/23/953071923.db2.gz QUQJFZZQZVHZRT-UHFFFAOYSA-N -1 1 382.453 1.210 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@@H](CNC(=O)[C@@H]3CCCC34CC4)C2)n1 ZINC001571211581 953078596 /nfs/dbraw/zinc/07/85/96/953078596.db2.gz CGCOHFAEXCCQMC-MJBXVCDLSA-N -1 1 382.472 1.852 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@@H](CNC(=O)[C@@H]3CCCC34CC4)C2)n1 ZINC001571211581 953078598 /nfs/dbraw/zinc/07/85/98/953078598.db2.gz CGCOHFAEXCCQMC-MJBXVCDLSA-N -1 1 382.472 1.852 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2C[C@@H](NC(=O)C3CCCC3)C23CCC3)n1 ZINC001571212045 953082868 /nfs/dbraw/zinc/08/28/68/953082868.db2.gz HUZJLJCKNOTPPQ-HUUCEWRRSA-N -1 1 382.472 1.995 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2C[C@@H](NC(=O)C3CCCC3)C23CCC3)n1 ZINC001571212045 953082876 /nfs/dbraw/zinc/08/28/76/953082876.db2.gz HUZJLJCKNOTPPQ-HUUCEWRRSA-N -1 1 382.472 1.995 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2CC3(CC3)C2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571212240 953086103 /nfs/dbraw/zinc/08/61/03/953086103.db2.gz JWAVWNKKUYCLMJ-TZMCWYRMSA-N -1 1 382.472 1.308 20 0 GDADMM CC1(C)CC(C(=O)N2CCC[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)C1 ZINC001571212220 953086362 /nfs/dbraw/zinc/08/63/62/953086362.db2.gz JLGZROZQSXRJAM-SWLSCSKDSA-N -1 1 382.472 1.520 20 0 GDADMM CC1(C)CC(C(=O)N2CCC[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)C1 ZINC001571212220 953086365 /nfs/dbraw/zinc/08/63/65/953086365.db2.gz JLGZROZQSXRJAM-SWLSCSKDSA-N -1 1 382.472 1.520 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N1CCC2(C1)CCN(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001571212551 953088951 /nfs/dbraw/zinc/08/89/51/953088951.db2.gz NDOUOHAECGETAH-CYBMUJFWSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N1CCC2(C1)CCN(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001571212551 953088953 /nfs/dbraw/zinc/08/89/53/953088953.db2.gz NDOUOHAECGETAH-CYBMUJFWSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1)C1CC1 ZINC001571213223 953093488 /nfs/dbraw/zinc/09/34/88/953093488.db2.gz PVJQPGBVTOJLTD-BFUOFWGJSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)CC[C@@H]1C(=O)N[C@@]12CCC[C@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001571213267 953094196 /nfs/dbraw/zinc/09/41/96/953094196.db2.gz QOUAZZMOSZXTEE-VLXJIEOASA-N -1 1 382.472 1.711 20 0 GDADMM CC1(C)CC(C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nnn[n-]2)C1 ZINC001571213674 953096684 /nfs/dbraw/zinc/09/66/84/953096684.db2.gz TVKIEPBTZKAFNZ-KGLIPLIRSA-N -1 1 382.472 1.663 20 0 GDADMM CC1(C)CC(C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nn[n-]n2)C1 ZINC001571213674 953096686 /nfs/dbraw/zinc/09/66/86/953096686.db2.gz TVKIEPBTZKAFNZ-KGLIPLIRSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@]1(CNc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)[C@H]2CC23CCCC3)C1 ZINC001571214036 953098539 /nfs/dbraw/zinc/09/85/39/953098539.db2.gz VNPLZVPDGBFNEF-FZKQIMNGSA-N -1 1 382.472 1.309 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)C1=CCCCCC1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571214047 953098725 /nfs/dbraw/zinc/09/87/25/953098725.db2.gz VSENIHVHFPLKGH-OAHLLOKOSA-N -1 1 382.472 1.974 20 0 GDADMM O=C(CC1CCCCCC1)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571217660 953110243 /nfs/dbraw/zinc/11/02/43/953110243.db2.gz HHTOZAWCTLULIK-GJZGRUSLSA-N -1 1 382.472 1.807 20 0 GDADMM O=C(CC1CCCCCC1)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571217660 953110244 /nfs/dbraw/zinc/11/02/44/953110244.db2.gz HHTOZAWCTLULIK-GJZGRUSLSA-N -1 1 382.472 1.807 20 0 GDADMM O=S(=O)(Cc1cccc(F)c1)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001571218102 953112835 /nfs/dbraw/zinc/11/28/35/953112835.db2.gz LWVYQSDPAIFGJJ-UHFFFAOYSA-N -1 1 383.355 1.904 20 0 GDADMM O=S(=O)(Cc1cccc(F)c1)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001571218102 953112837 /nfs/dbraw/zinc/11/28/37/953112837.db2.gz LWVYQSDPAIFGJJ-UHFFFAOYSA-N -1 1 383.355 1.904 20 0 GDADMM O=C(NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)[C@H]1C[C@H]1C1CCCC1 ZINC001571218401 953115425 /nfs/dbraw/zinc/11/54/25/953115425.db2.gz MUCBUNMLZOYALD-GJZGRUSLSA-N -1 1 382.472 1.568 20 0 GDADMM O=C(NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)[C@H]1C[C@H]1C1CCCC1 ZINC001571218401 953115427 /nfs/dbraw/zinc/11/54/27/953115427.db2.gz MUCBUNMLZOYALD-GJZGRUSLSA-N -1 1 382.472 1.568 20 0 GDADMM O=C([C@H]1CCCC12CC2)N1CC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571218748 953118885 /nfs/dbraw/zinc/11/88/85/953118885.db2.gz PRPAFRMWWVRHCI-ZIAGYGMSSA-N -1 1 382.472 1.888 20 0 GDADMM O=C([C@H]1CCCC12CC2)N1CC[C@@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571218748 953118887 /nfs/dbraw/zinc/11/88/87/953118887.db2.gz PRPAFRMWWVRHCI-ZIAGYGMSSA-N -1 1 382.472 1.888 20 0 GDADMM Cc1cc(-c2nn[nH]n2)cc(C)c1CC(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC001571218807 953119933 /nfs/dbraw/zinc/11/99/33/953119933.db2.gz DZLOGTBODIAQIC-LBPRGKRZSA-N -1 1 383.412 1.521 20 0 GDADMM O=C(CCC1CC1)N1CCC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CC[C@@H]21 ZINC001571219059 953122285 /nfs/dbraw/zinc/12/22/85/953122285.db2.gz UCFXIPJFQGBRHC-HOCLYGCPSA-N -1 1 382.472 1.664 20 0 GDADMM O=C(CCC1CC1)N1CCC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CC[C@@H]21 ZINC001571219059 953122288 /nfs/dbraw/zinc/12/22/88/953122288.db2.gz UCFXIPJFQGBRHC-HOCLYGCPSA-N -1 1 382.472 1.664 20 0 GDADMM O=C(CCC1CC1)N1CCC[C@@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571219302 953124180 /nfs/dbraw/zinc/12/41/80/953124180.db2.gz WVSRXXLTJIWHFN-IBGZPJMESA-N -1 1 382.472 1.666 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571222532 953136013 /nfs/dbraw/zinc/13/60/13/953136013.db2.gz IJJAPCUWCWRACI-NSHDSACASA-N -1 1 383.416 1.024 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)c2c(C)noc2C)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571224096 953148211 /nfs/dbraw/zinc/14/82/11/953148211.db2.gz YAZMRUFIWPJNLV-NWDGAFQWSA-N -1 1 383.416 1.049 20 0 GDADMM Cc1cc(C(=O)N2C[C@@H](CNc3nc(C)cc(-c4nnn[n-]4)n3)[C@H](C)C2)no1 ZINC001571224683 953150361 /nfs/dbraw/zinc/15/03/61/953150361.db2.gz CURYNYIYEUFLJP-BXKDBHETSA-N -1 1 383.416 1.082 20 0 GDADMM Cc1cc(C(=O)N2C[C@@H](CNc3nc(C)cc(-c4nn[n-]n4)n3)[C@H](C)C2)no1 ZINC001571224683 953150364 /nfs/dbraw/zinc/15/03/64/953150364.db2.gz CURYNYIYEUFLJP-BXKDBHETSA-N -1 1 383.416 1.082 20 0 GDADMM Cc1noc(C)c1C(=O)N1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571226967 953157796 /nfs/dbraw/zinc/15/77/96/953157796.db2.gz YATBWQOJNNSVDW-LBPRGKRZSA-N -1 1 383.416 1.226 20 0 GDADMM Cc1noc(C)c1C(=O)N1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571226967 953157797 /nfs/dbraw/zinc/15/77/97/953157797.db2.gz YATBWQOJNNSVDW-LBPRGKRZSA-N -1 1 383.416 1.226 20 0 GDADMM Cc1cc(F)cc(-c2nn[n-]n2)c1S(=O)(=O)N1CCC(O)(C(C)C)CC1 ZINC001571230750 953179706 /nfs/dbraw/zinc/17/97/06/953179706.db2.gz JFLBGESRPAFRQX-UHFFFAOYSA-N -1 1 383.449 1.486 20 0 GDADMM O=C(C1CCOCC1)N1CC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571234702 953204472 /nfs/dbraw/zinc/20/44/72/953204472.db2.gz GHXSDNFYPVWFDP-VIFPVBQESA-N -1 1 383.865 1.416 20 0 GDADMM O=C(C1CCOCC1)N1CC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571234702 953204475 /nfs/dbraw/zinc/20/44/75/953204475.db2.gz GHXSDNFYPVWFDP-VIFPVBQESA-N -1 1 383.865 1.416 20 0 GDADMM O=C([C@@H]1CCOC1)N1CCC[C@@H]1CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001571235184 953209587 /nfs/dbraw/zinc/20/95/87/953209587.db2.gz WEYNARDOGNAJRN-RKDXNWHRSA-N -1 1 383.865 1.416 20 0 GDADMM O=C([C@@H]1CCOC1)N1CCC[C@@H]1CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001571235184 953209590 /nfs/dbraw/zinc/20/95/90/953209590.db2.gz WEYNARDOGNAJRN-RKDXNWHRSA-N -1 1 383.865 1.416 20 0 GDADMM O=C(N[C@@H](CO)[C@@H](O)C1CCCCC1)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001571241456 953246167 /nfs/dbraw/zinc/24/61/67/953246167.db2.gz ABCIDEYOUXBCMD-YOEHRIQHSA-N -1 1 384.440 1.380 20 0 GDADMM C[C@H]1CCCN(C(=O)C2=COCCC2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571242749 953259343 /nfs/dbraw/zinc/25/93/43/953259343.db2.gz NGHDDXUMGUZQFO-GXTWGEPZSA-N -1 1 384.444 1.390 20 0 GDADMM C[C@H]1CCCN(C(=O)C2=COCCC2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571242749 953259346 /nfs/dbraw/zinc/25/93/46/953259346.db2.gz NGHDDXUMGUZQFO-GXTWGEPZSA-N -1 1 384.444 1.390 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@H]2CCCN(C(=O)c3cccs3)C2)n1 ZINC001571244677 953265995 /nfs/dbraw/zinc/26/59/95/953265995.db2.gz DLWSOMNYMRBYPX-LBPRGKRZSA-N -1 1 384.469 1.768 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@H]2CCCN(C(=O)c3cccs3)C2)n1 ZINC001571244677 953265998 /nfs/dbraw/zinc/26/59/98/953265998.db2.gz DLWSOMNYMRBYPX-LBPRGKRZSA-N -1 1 384.469 1.768 20 0 GDADMM Cc1csc(C(=O)N2CCC(N(C)c3nccnc3-c3nnn[n-]3)CC2)c1 ZINC001571244854 953267899 /nfs/dbraw/zinc/26/78/99/953267899.db2.gz KOMKMQCJFHHREQ-UHFFFAOYSA-N -1 1 384.469 1.768 20 0 GDADMM Cc1csc(C(=O)N2CCC(N(C)c3nccnc3-c3nn[n-]n3)CC2)c1 ZINC001571244854 953267900 /nfs/dbraw/zinc/26/79/00/953267900.db2.gz KOMKMQCJFHHREQ-UHFFFAOYSA-N -1 1 384.469 1.768 20 0 GDADMM Cc1csc(C(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)[C@H](C)C2)c1 ZINC001571245081 953269606 /nfs/dbraw/zinc/26/96/06/953269606.db2.gz NLFXKGSXIWYSOG-VXGBXAGGSA-N -1 1 384.469 1.989 20 0 GDADMM Cc1csc(C(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)[C@H](C)C2)c1 ZINC001571245081 953269610 /nfs/dbraw/zinc/26/96/10/953269610.db2.gz NLFXKGSXIWYSOG-VXGBXAGGSA-N -1 1 384.469 1.989 20 0 GDADMM Cc1cccnc1[C@H](C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC001571245033 953269619 /nfs/dbraw/zinc/26/96/19/953269619.db2.gz CROUCDRMPKRGHZ-NSHDSACASA-N -1 1 384.448 1.211 20 0 GDADMM Cc1cccnc1[C@H](C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC001571245033 953269624 /nfs/dbraw/zinc/26/96/24/953269624.db2.gz CROUCDRMPKRGHZ-NSHDSACASA-N -1 1 384.448 1.211 20 0 GDADMM CCCc1ccc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)s1 ZINC001571245630 953275372 /nfs/dbraw/zinc/27/53/72/953275372.db2.gz XMSZIYKLXJBOCH-NSHDSACASA-N -1 1 384.469 1.997 20 0 GDADMM CCCc1ccc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)s1 ZINC001571245630 953275376 /nfs/dbraw/zinc/27/53/76/953275376.db2.gz XMSZIYKLXJBOCH-NSHDSACASA-N -1 1 384.469 1.997 20 0 GDADMM Cc1ccc(C(=O)NC2(C)CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)s1 ZINC001571245732 953275933 /nfs/dbraw/zinc/27/59/33/953275933.db2.gz YNRCANGYHJYJBY-UHFFFAOYSA-N -1 1 384.469 1.816 20 0 GDADMM Cc1ccc(C(=O)NC2(C)CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)s1 ZINC001571245732 953275935 /nfs/dbraw/zinc/27/59/35/953275935.db2.gz YNRCANGYHJYJBY-UHFFFAOYSA-N -1 1 384.469 1.816 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccsc1 ZINC001571246303 953281480 /nfs/dbraw/zinc/28/14/80/953281480.db2.gz XSIYGCIDRLPEEI-DGCLKSJQSA-N -1 1 384.469 1.347 20 0 GDADMM O=C(CCc1ccsc1)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571248754 953297007 /nfs/dbraw/zinc/29/70/07/953297007.db2.gz ZEPSZAQOAAKVIQ-ZDUSSCGKSA-N -1 1 384.469 1.611 20 0 GDADMM O=C(CCc1ccsc1)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571248754 953297009 /nfs/dbraw/zinc/29/70/09/953297009.db2.gz ZEPSZAQOAAKVIQ-ZDUSSCGKSA-N -1 1 384.469 1.611 20 0 GDADMM CC1(C)CC[C@H]1C(=O)N1CCC[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571249394 953304748 /nfs/dbraw/zinc/30/47/48/953304748.db2.gz ICZAOTRZFGJMAJ-KGLIPLIRSA-N -1 1 384.488 1.555 20 0 GDADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)N1CCC(N(C)c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571250558 953311172 /nfs/dbraw/zinc/31/11/72/953311172.db2.gz QPNPAKZESFLXRR-AUUYWEPGSA-N -1 1 384.488 1.766 20 0 GDADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)N1CCC(N(C)c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571250558 953311176 /nfs/dbraw/zinc/31/11/76/953311176.db2.gz QPNPAKZESFLXRR-AUUYWEPGSA-N -1 1 384.488 1.766 20 0 GDADMM CC(C)(C)CC(=O)N1CCC[C@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571251409 953316722 /nfs/dbraw/zinc/31/67/22/953316722.db2.gz XIFOQMPZRFIKBH-LJQANCHMSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)(C)CC(=O)N1CCC[C@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571251409 953316729 /nfs/dbraw/zinc/31/67/29/953316729.db2.gz XIFOQMPZRFIKBH-LJQANCHMSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@@H](C(=O)N1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)(C)C1)C1CCCC1 ZINC001571251566 953318560 /nfs/dbraw/zinc/31/85/60/953318560.db2.gz ZOICVTSMIUAJAQ-OCCSQVGLSA-N -1 1 384.488 1.554 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCN(C(=O)[C@@H]3CCC(C)(C)C3)CC2)n1 ZINC001571251814 953320179 /nfs/dbraw/zinc/32/01/79/953320179.db2.gz AMJZYKQGGUQMGZ-CYBMUJFWSA-N -1 1 384.488 1.694 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCN(C(=O)[C@@H]3CCC(C)(C)C3)CC2)n1 ZINC001571251814 953320183 /nfs/dbraw/zinc/32/01/83/953320183.db2.gz AMJZYKQGGUQMGZ-CYBMUJFWSA-N -1 1 384.488 1.694 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)C3(C)C(C)(C)C3(C)C)C2)n1 ZINC001571252277 953326377 /nfs/dbraw/zinc/32/63/77/953326377.db2.gz JNQYUZKBZSNQMC-LBPRGKRZSA-N -1 1 384.488 1.732 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)C3(C)C(C)(C)C3(C)C)C2)n1 ZINC001571252277 953326380 /nfs/dbraw/zinc/32/63/80/953326380.db2.gz JNQYUZKBZSNQMC-LBPRGKRZSA-N -1 1 384.488 1.732 20 0 GDADMM CCc1nc(NC[C@H]2CN(C(=O)C3(C)CC3)CC[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571252605 953331063 /nfs/dbraw/zinc/33/10/63/953331063.db2.gz QXXGBHLJXYYWOP-STQMWFEESA-N -1 1 384.488 1.916 20 0 GDADMM CCc1nc(NC[C@H]2CN(C(=O)C3(C)CC3)CC[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571252605 953331064 /nfs/dbraw/zinc/33/10/64/953331064.db2.gz QXXGBHLJXYYWOP-STQMWFEESA-N -1 1 384.488 1.916 20 0 GDADMM CN(C(=O)C1C(C)(C)C1(C)C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571252913 953334156 /nfs/dbraw/zinc/33/41/56/953334156.db2.gz 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/nfs/dbraw/zinc/24/62/66/532246266.db2.gz PFJKDSMLMNABHZ-SNVBAGLBSA-N -1 1 383.323 1.470 20 0 GDADMM CC(=O)N[C@@H](CC(=O)NC1(c2nn[n-]n2)CC1)c1ccc(Br)cc1 ZINC000430326337 532246628 /nfs/dbraw/zinc/24/66/28/532246628.db2.gz VESPSJGRSHWTGR-LBPRGKRZSA-N -1 1 393.245 1.335 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccc(I)c([O-])c2)CC[S@@]1=O ZINC000430342225 532247920 /nfs/dbraw/zinc/24/79/20/532247920.db2.gz HLKMPZBHNBUUTA-UGZDLDLSSA-N -1 1 393.246 1.980 20 0 GDADMM CC(C)(C)OC(=O)C[C@H](NS(=O)(=O)c1c(F)cc(F)cc1F)C(=O)[O-] ZINC000274995838 532251414 /nfs/dbraw/zinc/25/14/14/532251414.db2.gz ACIKQDQADWBHAY-JTQLQIEISA-N -1 1 383.344 1.567 20 0 GDADMM COC(=O)c1ncsc1S(=O)(=O)N[C@@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000275066085 532260100 /nfs/dbraw/zinc/26/01/00/532260100.db2.gz VPRSIDCCMOUAFM-NXEZZACHSA-N -1 1 376.456 1.632 20 0 GDADMM CCc1cccnc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CC[C@](C)(F)C1 ZINC000348351932 532266918 /nfs/dbraw/zinc/26/69/18/532266918.db2.gz PTNCVDPTQMCFEM-HNNXBMFYSA-N -1 1 393.506 1.540 20 0 GDADMM CC[C@H]1[C@H](C)CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1cc(C)ccn1 ZINC000349450660 532285926 /nfs/dbraw/zinc/28/59/26/532285926.db2.gz AXMJGZRDPCZBEA-CABCVRRESA-N -1 1 389.543 1.972 20 0 GDADMM C[C@@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCCO1)C(C)(F)F ZINC000349459734 532291918 /nfs/dbraw/zinc/29/19/18/532291918.db2.gz VSSQUZBDFIDEIQ-LLVKDONJSA-N -1 1 398.453 1.725 20 0 GDADMM C[S@](=O)C1(CNC(=O)c2ccc(I)c([O-])c2)CC1 ZINC000380149242 532295163 /nfs/dbraw/zinc/29/51/63/532295163.db2.gz VTUWVUWUHWALKA-SFHVURJKSA-N -1 1 379.219 1.638 20 0 GDADMM CC[C@@H]1CN(C(=O)CCc2c(C)nc(SC)[n-]c2=O)C[C@H](C)S1(=O)=O ZINC000288557685 532296713 /nfs/dbraw/zinc/29/67/13/532296713.db2.gz FIQVWJPNJOCQJX-CMPLNLGQSA-N -1 1 387.527 1.569 20 0 GDADMM CCOC(=O)C(C)(C)n1cc([N-]S(=O)(=O)CC(C)(C)C(=O)OC)cn1 ZINC000288581568 532297463 /nfs/dbraw/zinc/29/74/63/532297463.db2.gz RRGMZFLAYUTPNL-UHFFFAOYSA-N -1 1 375.447 1.122 20 0 GDADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(CS(N)(=O)=O)cc2)c1 ZINC000392878800 532299814 /nfs/dbraw/zinc/29/98/14/532299814.db2.gz FOVICCLDVRDGNE-UHFFFAOYSA-N -1 1 382.463 1.869 20 0 GDADMM COC(=O)[C@@H](c1cccc(Br)c1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000289454501 532324913 /nfs/dbraw/zinc/32/49/13/532324913.db2.gz PKCNVIMQODMLDL-WCQYABFASA-N -1 1 395.257 1.954 20 0 GDADMM CC(C)[C@@H](C(=O)Nc1nc(Br)ccc1[O-])N1CCCS1(=O)=O ZINC000275857686 532312919 /nfs/dbraw/zinc/31/29/19/532312919.db2.gz LSPOSBIULOSQPX-NSHDSACASA-N -1 1 392.275 1.548 20 0 GDADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](c1cccs1)C(C)(C)CO ZINC000289895444 532333718 /nfs/dbraw/zinc/33/37/18/532333718.db2.gz PJLNLXOBTMQIFA-GFCCVEGCSA-N -1 1 387.483 1.686 20 0 GDADMM Cc1onc(N)c1S(=O)(=O)[N-]CCCCn1cc(Br)cn1 ZINC000289909339 532333940 /nfs/dbraw/zinc/33/39/40/532333940.db2.gz QBZKQFXODOAYIP-UHFFFAOYSA-N -1 1 378.252 1.283 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)Nc2ccc(CNC(C)=O)cc2)cc1-c1nn[n-]n1 ZINC000737186063 598841736 /nfs/dbraw/zinc/84/17/36/598841736.db2.gz FNFVUBRLDXKBPD-UHFFFAOYSA-N -1 1 399.436 1.578 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)OCCn2ccccc2=O)c1-c1nnn[n-]1 ZINC000737188841 598842954 /nfs/dbraw/zinc/84/29/54/598842954.db2.gz HNIAHKMCYZAOCU-UHFFFAOYSA-N -1 1 398.448 1.880 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)OCCn2ccccc2=O)c1-c1nn[n-]n1 ZINC000737188841 598842956 /nfs/dbraw/zinc/84/29/56/598842956.db2.gz HNIAHKMCYZAOCU-UHFFFAOYSA-N -1 1 398.448 1.880 20 0 GDADMM Cc1nn(-c2ccccc2)c(COC(=O)c2cccn(C)c2=O)c1-c1nn[n-]n1 ZINC000737503770 598846685 /nfs/dbraw/zinc/84/66/85/598846685.db2.gz LBSZOLQYUNUNJO-UHFFFAOYSA-N -1 1 391.391 1.417 20 0 GDADMM Cc1oc(NC(=O)COC(=O)CN(C)c2ccccc2)c(-c2nn[n-]n2)c1C ZINC000737553488 598848324 /nfs/dbraw/zinc/84/83/24/598848324.db2.gz WXBRWYJUHIHYEV-UHFFFAOYSA-N -1 1 384.396 1.695 20 0 GDADMM CCc1cc(NC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)no1 ZINC000736673881 598849828 /nfs/dbraw/zinc/84/98/28/598849828.db2.gz BZNWEJZLJBSQQX-UHFFFAOYSA-N -1 1 381.400 1.648 20 0 GDADMM CCc1cc(NC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)no1 ZINC000736673881 598849830 /nfs/dbraw/zinc/84/98/30/598849830.db2.gz BZNWEJZLJBSQQX-UHFFFAOYSA-N -1 1 381.400 1.648 20 0 GDADMM CN1CC[C@@H](NC(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)C1=O ZINC000736856208 598890901 /nfs/dbraw/zinc/89/09/01/598890901.db2.gz OFDXEBIOHJFFCH-CYBMUJFWSA-N -1 1 397.464 1.625 20 0 GDADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1cccc(N2CCNC2=O)c1 ZINC000737225722 598947969 /nfs/dbraw/zinc/94/79/69/598947969.db2.gz QFPQCIIVXLAXDB-UHFFFAOYSA-N -1 1 399.436 1.506 20 0 GDADMM CCOC(=O)N(C)C1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000736599416 598965330 /nfs/dbraw/zinc/96/53/30/598965330.db2.gz MLWRXRFZNGEESR-UHFFFAOYSA-N -1 1 382.428 1.867 20 0 GDADMM CCOC(=O)N(C)C1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000736599416 598965331 /nfs/dbraw/zinc/96/53/31/598965331.db2.gz MLWRXRFZNGEESR-UHFFFAOYSA-N -1 1 382.428 1.867 20 0 GDADMM CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737173924 598980780 /nfs/dbraw/zinc/98/07/80/598980780.db2.gz PEJGVONMZGLKRY-UHFFFAOYSA-N -1 1 378.801 1.571 20 0 GDADMM CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737173924 598980781 /nfs/dbraw/zinc/98/07/81/598980781.db2.gz PEJGVONMZGLKRY-UHFFFAOYSA-N -1 1 378.801 1.571 20 0 GDADMM O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1ccc(-c2nnn[n-]2)nc1 ZINC000738211743 598983826 /nfs/dbraw/zinc/98/38/26/598983826.db2.gz QFLAWTJTHIZGPL-UHFFFAOYSA-N -1 1 381.377 1.895 20 0 GDADMM O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1ccc(-c2nn[n-]n2)nc1 ZINC000738211743 598983828 /nfs/dbraw/zinc/98/38/28/598983828.db2.gz QFLAWTJTHIZGPL-UHFFFAOYSA-N -1 1 381.377 1.895 20 0 GDADMM CC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1OCC(=O)NC ZINC000736365555 598994066 /nfs/dbraw/zinc/99/40/66/598994066.db2.gz WWBZLBSLKOOTEA-AWEZNQCLSA-N -1 1 395.423 1.268 20 0 GDADMM CC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1OCC(=O)NC ZINC000736365555 598994067 /nfs/dbraw/zinc/99/40/67/598994067.db2.gz WWBZLBSLKOOTEA-AWEZNQCLSA-N -1 1 395.423 1.268 20 0 GDADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(N2CCOC2=O)cc1 ZINC000736120566 598998536 /nfs/dbraw/zinc/99/85/36/598998536.db2.gz YITWJWLADFERDB-NSHDSACASA-N -1 1 379.380 1.709 20 0 GDADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(N2CCOC2=O)cc1 ZINC000736120566 598998537 /nfs/dbraw/zinc/99/85/37/598998537.db2.gz YITWJWLADFERDB-NSHDSACASA-N -1 1 379.380 1.709 20 0 GDADMM O=C(NC1CCCCC1)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000738024618 598999174 /nfs/dbraw/zinc/99/91/74/598999174.db2.gz KWHGUYVJPYEWLK-UHFFFAOYSA-N -1 1 383.456 1.563 20 0 GDADMM O=C(NC1CCCCC1)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000738024618 598999176 /nfs/dbraw/zinc/99/91/76/598999176.db2.gz KWHGUYVJPYEWLK-UHFFFAOYSA-N -1 1 383.456 1.563 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCCCNc1ccccn1 ZINC000737200392 599010431 /nfs/dbraw/zinc/01/04/31/599010431.db2.gz LYFJOPLLRXVPNP-UHFFFAOYSA-N -1 1 396.455 1.530 20 0 GDADMM Cc1nn(-c2ccccc2)c(COC(=O)[C@@H](O)C2CCOCC2)c1-c1nn[n-]n1 ZINC000737504433 599017142 /nfs/dbraw/zinc/01/71/42/599017142.db2.gz YONGQZMNHWEHNK-KRWDZBQOSA-N -1 1 398.423 1.192 20 0 GDADMM CCOc1ccccc1N1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736654752 599018604 /nfs/dbraw/zinc/01/86/04/599018604.db2.gz XKQVABPEWBTCST-UHFFFAOYSA-N -1 1 379.424 1.623 20 0 GDADMM CCOc1ccccc1N1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736654752 599018606 /nfs/dbraw/zinc/01/86/06/599018606.db2.gz XKQVABPEWBTCST-UHFFFAOYSA-N -1 1 379.424 1.623 20 0 GDADMM Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC000737400537 599024225 /nfs/dbraw/zinc/02/42/25/599024225.db2.gz SPODGKWQCKMWQZ-AWEZNQCLSA-N -1 1 392.423 1.456 20 0 GDADMM Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC000737400537 599024227 /nfs/dbraw/zinc/02/42/27/599024227.db2.gz SPODGKWQCKMWQZ-AWEZNQCLSA-N -1 1 392.423 1.456 20 0 GDADMM CCCc1ccc([C@H](C)N(CC(N)=O)C(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736497126 599025143 /nfs/dbraw/zinc/02/51/43/599025143.db2.gz OOUQLEGPSKZXAZ-ZDUSSCGKSA-N -1 1 393.451 1.903 20 0 GDADMM CCCc1ccc([C@H](C)N(CC(N)=O)C(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736497126 599025145 /nfs/dbraw/zinc/02/51/45/599025145.db2.gz OOUQLEGPSKZXAZ-ZDUSSCGKSA-N -1 1 393.451 1.903 20 0 GDADMM O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738051794 599025894 /nfs/dbraw/zinc/02/58/94/599025894.db2.gz QTYWUGLYWMTHQV-LLVKDONJSA-N -1 1 385.378 1.796 20 0 GDADMM O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738051794 599025895 /nfs/dbraw/zinc/02/58/95/599025895.db2.gz QTYWUGLYWMTHQV-LLVKDONJSA-N -1 1 385.378 1.796 20 0 GDADMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2ccccc2OCC(F)(F)F)c1=O ZINC000821565352 599123306 /nfs/dbraw/zinc/12/33/06/599123306.db2.gz OWKPMAMKDSDOKP-UHFFFAOYSA-N -1 1 396.329 1.199 20 0 GDADMM Cc1cc(N2CC[C@@H](Sc3nc(C)nc(C)c3-c3nn[n-]n3)C2=O)n(C)n1 ZINC000822207153 599125612 /nfs/dbraw/zinc/12/56/12/599125612.db2.gz MQDLUHNBBGZPIY-LLVKDONJSA-N -1 1 385.457 1.213 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N1CCc2sccc2C1 ZINC000736157287 599132117 /nfs/dbraw/zinc/13/21/17/599132117.db2.gz JWAVKHJFZKKWKU-JTQLQIEISA-N -1 1 384.421 1.453 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N1CCc2sccc2C1 ZINC000736157287 599132119 /nfs/dbraw/zinc/13/21/19/599132119.db2.gz JWAVKHJFZKKWKU-JTQLQIEISA-N -1 1 384.421 1.453 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000736159570 599134113 /nfs/dbraw/zinc/13/41/13/599134113.db2.gz WQYVQWCGHKTLIG-WDEREUQCSA-N -1 1 384.371 1.824 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000736159570 599134115 /nfs/dbraw/zinc/13/41/15/599134115.db2.gz WQYVQWCGHKTLIG-WDEREUQCSA-N -1 1 384.371 1.824 20 0 GDADMM C[C@@H](c1ccc(F)cc1)N(C)C(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736197924 599135919 /nfs/dbraw/zinc/13/59/19/599135919.db2.gz DZBVTHHFXURSMZ-NSHDSACASA-N -1 1 384.371 1.777 20 0 GDADMM C[C@@H](c1ccc(F)cc1)N(C)C(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736197924 599135921 /nfs/dbraw/zinc/13/59/21/599135921.db2.gz DZBVTHHFXURSMZ-NSHDSACASA-N -1 1 384.371 1.777 20 0 GDADMM Cc1ccccc1CCNC(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737425649 599136694 /nfs/dbraw/zinc/13/66/94/599136694.db2.gz CPIJLIPGVUGTRL-ZDUSSCGKSA-N -1 1 380.408 1.474 20 0 GDADMM Cc1ccccc1CCNC(=O)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737425649 599136697 /nfs/dbraw/zinc/13/66/97/599136697.db2.gz CPIJLIPGVUGTRL-ZDUSSCGKSA-N -1 1 380.408 1.474 20 0 GDADMM COc1ccccc1CN(C)C(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737149343 599137004 /nfs/dbraw/zinc/13/70/04/599137004.db2.gz GJVIEVPVKHNBGM-UHFFFAOYSA-N -1 1 382.380 1.086 20 0 GDADMM COc1ccccc1CN(C)C(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737149343 599137005 /nfs/dbraw/zinc/13/70/05/599137005.db2.gz GJVIEVPVKHNBGM-UHFFFAOYSA-N -1 1 382.380 1.086 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)c1cnc(N2CCCCC2)s1 ZINC000738217985 599139797 /nfs/dbraw/zinc/13/97/97/599139797.db2.gz BYZJLPCGRNUISN-UHFFFAOYSA-N -1 1 399.436 1.748 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)c1cnc(N2CCCCC2)s1 ZINC000738217985 599139799 /nfs/dbraw/zinc/13/97/99/599139799.db2.gz BYZJLPCGRNUISN-UHFFFAOYSA-N -1 1 399.436 1.748 20 0 GDADMM CC[C@H](Cc1ccc(Cl)cc1)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736355377 599172383 /nfs/dbraw/zinc/17/23/83/599172383.db2.gz ZZGWYZOALRJLOS-GFCCVEGCSA-N -1 1 389.847 1.351 20 0 GDADMM O=S(=O)(NC1(c2nccs2)CCCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738330849 599179030 /nfs/dbraw/zinc/17/90/30/599179030.db2.gz TYQXTKMLVSIHHC-UHFFFAOYSA-N -1 1 377.455 1.466 20 0 GDADMM O=S(=O)(NC1(c2nccs2)CCCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738330849 599179032 /nfs/dbraw/zinc/17/90/32/599179032.db2.gz TYQXTKMLVSIHHC-UHFFFAOYSA-N -1 1 377.455 1.466 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CCc3ccccc3CC2)cc1-c1nn[n-]n1 ZINC000737187388 599183895 /nfs/dbraw/zinc/18/38/95/599183895.db2.gz RINRLICBFVFAGX-UHFFFAOYSA-N -1 1 382.449 1.930 20 0 GDADMM CCOC(=O)C1=C(CN2CCC(C(=O)[O-])CC2)NC(=O)N[C@H]1c1ccccc1 ZINC000739469266 596921644 /nfs/dbraw/zinc/92/16/44/596921644.db2.gz WWUFMROLWWUUIU-KRWDZBQOSA-N -1 1 387.436 1.654 20 0 GDADMM Nc1n[nH]c(CCCNC(=S)N[C@H]2CCc3ccccc3C2)c1-c1nnn[n-]1 ZINC000822899860 599227125 /nfs/dbraw/zinc/22/71/25/599227125.db2.gz WGQQNGYOBZXFND-ZDUSSCGKSA-N -1 1 397.512 1.126 20 0 GDADMM Nc1n[nH]c(CCCNC(=S)N[C@H]2CCc3ccccc3C2)c1-c1nn[n-]n1 ZINC000822899860 599227128 /nfs/dbraw/zinc/22/71/28/599227128.db2.gz WGQQNGYOBZXFND-ZDUSSCGKSA-N -1 1 397.512 1.126 20 0 GDADMM COc1ccc(C[C@@]2(C)NC(=O)N(CN3CCC[C@H](CC(=O)[O-])C3)C2=O)cc1 ZINC000818585339 597047244 /nfs/dbraw/zinc/04/72/44/597047244.db2.gz YPUDVALDDMBXJY-FOIQADDNSA-N -1 1 389.452 1.692 20 0 GDADMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)c1cc(F)ccc1Br ZINC000534784109 597302380 /nfs/dbraw/zinc/30/23/80/597302380.db2.gz DFJIGPLMKLSYDP-UHFFFAOYSA-N -1 1 383.239 1.225 20 0 GDADMM COc1ccccc1[C@H](CNC(=O)N1CCO[C@@H](C(=O)[O-])C1)N1CCCC1 ZINC000738120028 597413108 /nfs/dbraw/zinc/41/31/08/597413108.db2.gz KKEBBAILRCVQOC-DOTOQJQBSA-N -1 1 377.441 1.327 20 0 GDADMM CCN(Cc1ccc2ccccc2c1)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000821222464 607305538 /nfs/dbraw/zinc/30/55/38/607305538.db2.gz TZYZNCGRFREFOW-UHFFFAOYSA-N -1 1 391.435 1.444 20 0 GDADMM O=C([O-])[C@H]1CCN(CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)C1 ZINC000262628975 597534301 /nfs/dbraw/zinc/53/43/01/597534301.db2.gz GOWFRXCALYMSHX-JTQLQIEISA-N -1 1 383.330 1.631 20 0 GDADMM C[C@H](C(=O)Nc1ccccc1C(=O)NCc1ccco1)N1CC[C@H](C(=O)[O-])C1 ZINC000817744312 597535779 /nfs/dbraw/zinc/53/57/79/597535779.db2.gz WKJXUKADCBWCSQ-KGLIPLIRSA-N -1 1 385.420 1.943 20 0 GDADMM CC(C)c1nc(C(=O)n2ncc(-c3nn[n-]n3)c2N)nn1-c1cccc(F)c1 ZINC000735939072 599274924 /nfs/dbraw/zinc/27/49/24/599274924.db2.gz HSLLERROCBKYQN-UHFFFAOYSA-N -1 1 382.363 1.177 20 0 GDADMM CC(C)(C)c1nc([C@@H]2CN(C(=O)NC3CCC(C(=O)[O-])CC3)CCO2)n[nH]1 ZINC000819932460 598153519 /nfs/dbraw/zinc/15/35/19/598153519.db2.gz HBVXFCXFWRBXDA-BPCQOVAHSA-N -1 1 379.461 1.829 20 0 GDADMM CC(C)(C)c1nnc([C@@H]2CN(C(=O)NC3CCC(C(=O)[O-])CC3)CCO2)[nH]1 ZINC000819932460 598153520 /nfs/dbraw/zinc/15/35/20/598153520.db2.gz HBVXFCXFWRBXDA-BPCQOVAHSA-N -1 1 379.461 1.829 20 0 GDADMM O=C([O-])c1ccccc1NC(=O)C(=O)N1CCC(CCN2CCOCC2)CC1 ZINC000821469878 598175168 /nfs/dbraw/zinc/17/51/68/598175168.db2.gz BQDAPSXUJULTNJ-UHFFFAOYSA-N -1 1 389.452 1.284 20 0 GDADMM Cn1ccnc1[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000737617022 598262532 /nfs/dbraw/zinc/26/25/32/598262532.db2.gz YWFVMWNYOINWRI-OAHLLOKOSA-N -1 1 396.436 1.063 20 0 GDADMM Cn1ccnc1[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000737617022 598262534 /nfs/dbraw/zinc/26/25/34/598262534.db2.gz YWFVMWNYOINWRI-OAHLLOKOSA-N -1 1 396.436 1.063 20 0 GDADMM O=S(=O)(NC1CCC(C(F)(F)F)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738342411 598263041 /nfs/dbraw/zinc/26/30/41/598263041.db2.gz LDLNGVAIFGUQJU-UHFFFAOYSA-N -1 1 376.364 1.661 20 0 GDADMM O=S(=O)(NC1CCC(C(F)(F)F)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738342411 598263043 /nfs/dbraw/zinc/26/30/43/598263043.db2.gz LDLNGVAIFGUQJU-UHFFFAOYSA-N -1 1 376.364 1.661 20 0 GDADMM CCn1c(CCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)nc2ccccc21 ZINC000736720219 598270441 /nfs/dbraw/zinc/27/04/41/598270441.db2.gz MWXWQMVHBCZLIQ-UHFFFAOYSA-N -1 1 398.452 1.152 20 0 GDADMM CCn1c(CCNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)nc2ccccc21 ZINC000736720219 598270444 /nfs/dbraw/zinc/27/04/44/598270444.db2.gz MWXWQMVHBCZLIQ-UHFFFAOYSA-N -1 1 398.452 1.152 20 0 GDADMM O=S(=O)(NCCCc1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738339637 598271185 /nfs/dbraw/zinc/27/11/85/598271185.db2.gz UBKGLUYITULNGM-UHFFFAOYSA-N -1 1 378.845 1.826 20 0 GDADMM O=S(=O)(NCCCc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738339637 598271186 /nfs/dbraw/zinc/27/11/86/598271186.db2.gz UBKGLUYITULNGM-UHFFFAOYSA-N -1 1 378.845 1.826 20 0 GDADMM CC(C)(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1F ZINC000735671083 598271249 /nfs/dbraw/zinc/27/12/49/598271249.db2.gz LOHMHMOYBQASGK-UHFFFAOYSA-N -1 1 376.417 1.657 20 0 GDADMM CC(C)(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1F ZINC000735671083 598271251 /nfs/dbraw/zinc/27/12/51/598271251.db2.gz LOHMHMOYBQASGK-UHFFFAOYSA-N -1 1 376.417 1.657 20 0 GDADMM O=S(=O)(NCc1cccc(Br)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344815 598271649 /nfs/dbraw/zinc/27/16/49/598271649.db2.gz IWHKSAXZBYDVKO-UHFFFAOYSA-N -1 1 395.242 1.503 20 0 GDADMM O=S(=O)(NCc1cccc(Br)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738344815 598271650 /nfs/dbraw/zinc/27/16/50/598271650.db2.gz IWHKSAXZBYDVKO-UHFFFAOYSA-N -1 1 395.242 1.503 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC(OC2CCCC2)CC1 ZINC000738355314 598273431 /nfs/dbraw/zinc/27/34/31/598273431.db2.gz OJZXBRDBOQAXNE-UHFFFAOYSA-N -1 1 378.458 1.374 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC(OC2CCCC2)CC1 ZINC000738355314 598273432 /nfs/dbraw/zinc/27/34/32/598273432.db2.gz OJZXBRDBOQAXNE-UHFFFAOYSA-N -1 1 378.458 1.374 20 0 GDADMM Cc1oc(NC(=O)COC(=O)c2ccc3c(c2)nnn3C)c(-c2nn[n-]n2)c1C ZINC000737551519 598289317 /nfs/dbraw/zinc/28/93/17/598289317.db2.gz ILIWJFVLYHHFEB-UHFFFAOYSA-N -1 1 396.367 1.154 20 0 GDADMM O=C(CN1CCC(Nc2nccnc2-c2nnn[n-]2)CC1)Nc1ccccc1 ZINC000737874331 598340968 /nfs/dbraw/zinc/34/09/68/598340968.db2.gz ANPSEGDAJXSPFF-UHFFFAOYSA-N -1 1 379.428 1.172 20 0 GDADMM O=C(NC[C@H]1CCCO1)c1cccc(CNc2nccnc2-c2nnn[n-]2)c1 ZINC000738050849 598348985 /nfs/dbraw/zinc/34/89/85/598348985.db2.gz WUKUWFHEZIJSPB-CQSZACIVSA-N -1 1 380.412 1.178 20 0 GDADMM O=C(NC[C@H]1CCCO1)c1cccc(CNc2nccnc2-c2nn[n-]n2)c1 ZINC000738050849 598348986 /nfs/dbraw/zinc/34/89/86/598348986.db2.gz WUKUWFHEZIJSPB-CQSZACIVSA-N -1 1 380.412 1.178 20 0 GDADMM CCc1nnc2n1CCN([C@H](C)C(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)C2 ZINC000736711060 598351135 /nfs/dbraw/zinc/35/11/35/598351135.db2.gz PDNHVLDTLSESNK-SNVBAGLBSA-N -1 1 385.432 1.073 20 0 GDADMM CCOc1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1F ZINC000736644641 598369338 /nfs/dbraw/zinc/36/93/38/598369338.db2.gz NEUNWWBRBCBAAZ-UHFFFAOYSA-N -1 1 378.389 1.278 20 0 GDADMM CCOc1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1F ZINC000736644641 598369340 /nfs/dbraw/zinc/36/93/40/598369340.db2.gz NEUNWWBRBCBAAZ-UHFFFAOYSA-N -1 1 378.389 1.278 20 0 GDADMM O=S(=O)(NCc1cc(-c2ccccc2)on1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738339500 598370226 /nfs/dbraw/zinc/37/02/26/598370226.db2.gz REHOULKBFIFTQL-UHFFFAOYSA-N -1 1 383.393 1.395 20 0 GDADMM O=S(=O)(NCc1cc(-c2ccccc2)on1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738339500 598370228 /nfs/dbraw/zinc/37/02/28/598370228.db2.gz REHOULKBFIFTQL-UHFFFAOYSA-N -1 1 383.393 1.395 20 0 GDADMM CCc1nn(CC(=O)N(C)C2CCC(C)CC2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705968 598377717 /nfs/dbraw/zinc/37/77/17/598377717.db2.gz RAENYDWDMDFMBO-UHFFFAOYSA-N -1 1 387.488 1.585 20 0 GDADMM CCc1nn(Cc2nc(-c3cccc(C)c3)no2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736707884 598378661 /nfs/dbraw/zinc/37/86/61/598378661.db2.gz VYHLSERPQMIMTN-UHFFFAOYSA-N -1 1 392.423 1.955 20 0 GDADMM CCc1nn(CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736704936 598378974 /nfs/dbraw/zinc/37/89/74/598378974.db2.gz AOMPLPRGHINDCE-SLEUVZQESA-N -1 1 387.488 1.489 20 0 GDADMM O=C(COC(=O)c1ccsc1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000737910393 598409158 /nfs/dbraw/zinc/40/91/58/598409158.db2.gz DKRJCVBEFAETKN-UHFFFAOYSA-N -1 1 395.404 1.909 20 0 GDADMM O=C(COC(=O)c1ccsc1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737910393 598409159 /nfs/dbraw/zinc/40/91/59/598409159.db2.gz DKRJCVBEFAETKN-UHFFFAOYSA-N -1 1 395.404 1.909 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCCN1CCCCC1=O ZINC000737547134 598416398 /nfs/dbraw/zinc/41/63/98/598416398.db2.gz HDRGIUREJBQQTQ-UHFFFAOYSA-N -1 1 384.396 1.728 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCCN1CCCCC1=O ZINC000737547134 598416400 /nfs/dbraw/zinc/41/64/00/598416400.db2.gz HDRGIUREJBQQTQ-UHFFFAOYSA-N -1 1 384.396 1.728 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)Nc1cnn(C(C)C)c1 ZINC000737487749 598444559 /nfs/dbraw/zinc/44/45/59/598444559.db2.gz LTVPWHWANFYHAL-UHFFFAOYSA-N -1 1 394.443 1.875 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)Nc1cnn(C(C)C)c1 ZINC000737487749 598444561 /nfs/dbraw/zinc/44/45/61/598444561.db2.gz LTVPWHWANFYHAL-UHFFFAOYSA-N -1 1 394.443 1.875 20 0 GDADMM COC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)ccc1F ZINC000736938755 598451856 /nfs/dbraw/zinc/45/18/56/598451856.db2.gz FZJUZLFOXWIJQQ-UHFFFAOYSA-N -1 1 392.372 1.985 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000738353783 598465037 /nfs/dbraw/zinc/46/50/37/598465037.db2.gz GWTBAWUFLXCOLJ-HNNXBMFYSA-N -1 1 390.400 1.163 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000738353783 598465040 /nfs/dbraw/zinc/46/50/40/598465040.db2.gz GWTBAWUFLXCOLJ-HNNXBMFYSA-N -1 1 390.400 1.163 20 0 GDADMM CC(C)(C)OC(=O)NC1CCC(C(=O)n2ncc(-c3nn[n-]n3)c2N)CC1 ZINC000735633378 598471029 /nfs/dbraw/zinc/47/10/29/598471029.db2.gz PMQGLOKNTPLERG-UHFFFAOYSA-N -1 1 376.421 1.369 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)O[C@H]1C(=O)OCC1(C)C ZINC000737200402 598510741 /nfs/dbraw/zinc/51/07/41/598510741.db2.gz MCOABYXLLLZVCB-ZDUSSCGKSA-N -1 1 375.385 1.012 20 0 GDADMM C(c1noc2c1CCCC2)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000735399712 598537482 /nfs/dbraw/zinc/53/74/82/598537482.db2.gz TZOPMOBUDIXJSB-UHFFFAOYSA-N -1 1 396.455 1.921 20 0 GDADMM CCOCCC(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000736611975 598594794 /nfs/dbraw/zinc/59/47/94/598594794.db2.gz YSJPLKRWHTYJFP-UHFFFAOYSA-N -1 1 387.400 1.190 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCc1nc(C[C@@H]2CCCO2)no1 ZINC000737486780 598610255 /nfs/dbraw/zinc/61/02/55/598610255.db2.gz DNRKYDYDAMIPMY-LBPRGKRZSA-N -1 1 395.427 1.416 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCc1nc(C[C@@H]2CCCO2)no1 ZINC000737486780 598610257 /nfs/dbraw/zinc/61/02/57/598610257.db2.gz DNRKYDYDAMIPMY-LBPRGKRZSA-N -1 1 395.427 1.416 20 0 GDADMM COC(=O)N1CC(NC(=O)c2cc(C3CC3)nc(SC)c2-c2nn[n-]n2)C1 ZINC000821664965 607361472 /nfs/dbraw/zinc/36/14/72/607361472.db2.gz PYSAYADYZGDAMA-UHFFFAOYSA-N -1 1 389.441 1.041 20 0 GDADMM CCc1nn(CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705903 598641900 /nfs/dbraw/zinc/64/19/00/598641900.db2.gz QLWLECFTFXZVJY-BBRMVZONSA-N -1 1 399.499 1.729 20 0 GDADMM CCN(CC)C(=O)[C@H]1CCCN1CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000821169837 607364052 /nfs/dbraw/zinc/36/40/52/607364052.db2.gz FSQFTTGOWIFBET-CYBMUJFWSA-N -1 1 389.460 1.348 20 0 GDADMM COc1ccccc1CN(C)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737150341 598686893 /nfs/dbraw/zinc/68/68/93/598686893.db2.gz OQHWHGHMHKJTKP-UHFFFAOYSA-N -1 1 377.401 1.835 20 0 GDADMM CC(C)COC1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000735837959 598691489 /nfs/dbraw/zinc/69/14/89/598691489.db2.gz AGULAGAJGHTOMT-UHFFFAOYSA-N -1 1 383.449 1.832 20 0 GDADMM Cc1nc2c(s1)[C@@H](N(C)S(=O)(=O)c1ccc(-c3nnn[n-]3)nc1)CCC2 ZINC000737489466 598712902 /nfs/dbraw/zinc/71/29/02/598712902.db2.gz YAPNFFCTBLIBTE-ZDUSSCGKSA-N -1 1 391.482 1.725 20 0 GDADMM Cc1nc2c(s1)[C@@H](N(C)S(=O)(=O)c1ccc(-c3nn[n-]n3)nc1)CCC2 ZINC000737489466 598712904 /nfs/dbraw/zinc/71/29/04/598712904.db2.gz YAPNFFCTBLIBTE-ZDUSSCGKSA-N -1 1 391.482 1.725 20 0 GDADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21)NC[C@H]1CCCO1 ZINC000737982858 598722164 /nfs/dbraw/zinc/72/21/64/598722164.db2.gz SIEOQPURRBLZMX-LLVKDONJSA-N -1 1 388.815 1.130 20 0 GDADMM CCOC(=O)N(C)CCOC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000736600222 598740090 /nfs/dbraw/zinc/74/00/90/598740090.db2.gz RALJXEBINOFESM-UHFFFAOYSA-N -1 1 388.384 1.804 20 0 GDADMM CCOC(=O)N(C)CCOC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000736600222 598740091 /nfs/dbraw/zinc/74/00/91/598740091.db2.gz RALJXEBINOFESM-UHFFFAOYSA-N -1 1 388.384 1.804 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCS[C@H](C)C1 ZINC000737487519 598755107 /nfs/dbraw/zinc/75/51/07/598755107.db2.gz LEMPQUNZXGHQCG-SNVBAGLBSA-N -1 1 386.485 1.423 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCS[C@H](C)C1 ZINC000737487519 598755109 /nfs/dbraw/zinc/75/51/09/598755109.db2.gz LEMPQUNZXGHQCG-SNVBAGLBSA-N -1 1 386.485 1.423 20 0 GDADMM COCC1CCN(C(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)CC1 ZINC000736971664 598767647 /nfs/dbraw/zinc/76/76/47/598767647.db2.gz JIJNUSPLXSDJSJ-UHFFFAOYSA-N -1 1 398.471 1.344 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-1 1 379.388 1.046 20 0 GDADMM O=C(CCOC1CN(C(=O)[O-])C1)Nc1cccc(CN2CCSCC2)c1 ZINC000833992444 606082354 /nfs/dbraw/zinc/08/23/54/606082354.db2.gz BBRRWSUVMIUTDG-UHFFFAOYSA-N -1 1 379.482 1.943 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)NCCCOC1CCCCC1 ZINC000823027556 606134882 /nfs/dbraw/zinc/13/48/82/606134882.db2.gz WUTYHVLWNCJLFX-UHFFFAOYSA-N -1 1 393.469 1.941 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)NCCCOC1CCCCC1 ZINC000823027556 606134883 /nfs/dbraw/zinc/13/48/83/606134883.db2.gz WUTYHVLWNCJLFX-UHFFFAOYSA-N -1 1 393.469 1.941 20 0 GDADMM C[C@H](C1CC1)n1[nH]ccc1=NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820219718 606135562 /nfs/dbraw/zinc/13/55/62/606135562.db2.gz JLYDVZYDSLYJSG-SECBINFHSA-N -1 1 387.425 1.313 20 0 GDADMM C[C@H](C1CC1)n1[nH]ccc1=NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820219718 606135563 /nfs/dbraw/zinc/13/55/63/606135563.db2.gz JLYDVZYDSLYJSG-SECBINFHSA-N -1 1 387.425 1.313 20 0 GDADMM CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821230757 606158368 /nfs/dbraw/zinc/15/83/68/606158368.db2.gz QDVBTURUUNNUTI-UHFFFAOYSA-N -1 1 394.399 1.303 20 0 GDADMM CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821230757 606158370 /nfs/dbraw/zinc/15/83/70/606158370.db2.gz QDVBTURUUNNUTI-UHFFFAOYSA-N -1 1 394.399 1.303 20 0 GDADMM Cc1ccc(NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1N1CCOC1=O ZINC000822248909 606162532 /nfs/dbraw/zinc/16/25/32/606162532.db2.gz SXUNKOWEVSORDJ-UHFFFAOYSA-N -1 1 383.372 1.509 20 0 GDADMM Cc1ccc(NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1N1CCOC1=O ZINC000822248909 606162535 /nfs/dbraw/zinc/16/25/35/606162535.db2.gz SXUNKOWEVSORDJ-UHFFFAOYSA-N -1 1 383.372 1.509 20 0 GDADMM COc1cc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)ccc1OC(C)C ZINC000821716955 606165747 /nfs/dbraw/zinc/16/57/47/606165747.db2.gz IIVHVTPEUYFNHP-UHFFFAOYSA-N -1 1 386.416 1.718 20 0 GDADMM COc1cc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)ccc1OC(C)C ZINC000821716955 606165749 /nfs/dbraw/zinc/16/57/49/606165749.db2.gz IIVHVTPEUYFNHP-UHFFFAOYSA-N -1 1 386.416 1.718 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCC(C)(C)NC(=O)OC(C)(C)C)n1 ZINC000822614400 606166358 /nfs/dbraw/zinc/16/63/58/606166358.db2.gz MRRKIAFDTDULOR-UHFFFAOYSA-N -1 1 379.425 1.025 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCC(C)(C)NC(=O)OC(C)(C)C)n1 ZINC000822614400 606166359 /nfs/dbraw/zinc/16/63/59/606166359.db2.gz MRRKIAFDTDULOR-UHFFFAOYSA-N -1 1 379.425 1.025 20 0 GDADMM COc1ccc(-n2ccc(CNC(=O)Nc3nn(C)cc3-c3nnn[n-]3)n2)cc1 ZINC000821769818 606166813 /nfs/dbraw/zinc/16/68/13/606166813.db2.gz KXTWWGWNQSSZNL-UHFFFAOYSA-N -1 1 394.399 1.116 20 0 GDADMM COc1ccc(-n2ccc(CNC(=O)Nc3nn(C)cc3-c3nn[n-]n3)n2)cc1 ZINC000821769818 606166815 /nfs/dbraw/zinc/16/68/15/606166815.db2.gz KXTWWGWNQSSZNL-UHFFFAOYSA-N -1 1 394.399 1.116 20 0 GDADMM CN(Cc1cnn(-c2ccccc2)c1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821616774 606170064 /nfs/dbraw/zinc/17/00/64/606170064.db2.gz GSFYBQQZODUOGZ-UHFFFAOYSA-N -1 1 378.400 1.450 20 0 GDADMM CN(Cc1cnn(-c2ccccc2)c1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821616774 606170065 /nfs/dbraw/zinc/17/00/65/606170065.db2.gz GSFYBQQZODUOGZ-UHFFFAOYSA-N -1 1 378.400 1.450 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)n1 ZINC000822614271 606172354 /nfs/dbraw/zinc/17/23/54/606172354.db2.gz LCJLUDIRCFGHCD-LLVKDONJSA-N -1 1 385.407 1.387 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)n1 ZINC000822614271 606172357 /nfs/dbraw/zinc/17/23/57/606172357.db2.gz LCJLUDIRCFGHCD-LLVKDONJSA-N -1 1 385.407 1.387 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)n1 ZINC000822613986 606173394 /nfs/dbraw/zinc/17/33/94/606173394.db2.gz HKEDOSNFPMUXOH-NSHDSACASA-N -1 1 397.226 1.762 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)n1 ZINC000822613986 606173396 /nfs/dbraw/zinc/17/33/96/606173396.db2.gz HKEDOSNFPMUXOH-NSHDSACASA-N -1 1 397.226 1.762 20 0 GDADMM O=C(OCCCn1c(=O)[nH]c2ccccc2c1=O)c1ccc(-c2nnn[n-]2)s1 ZINC000823405410 606177608 /nfs/dbraw/zinc/17/76/08/606177608.db2.gz PXNVAZTUJYIOPX-UHFFFAOYSA-N -1 1 398.404 1.591 20 0 GDADMM O=C(OCCCn1c(=O)[nH]c2ccccc2c1=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823405410 606177609 /nfs/dbraw/zinc/17/76/09/606177609.db2.gz PXNVAZTUJYIOPX-UHFFFAOYSA-N -1 1 398.404 1.591 20 0 GDADMM Cc1ccc(N2C[C@H](C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])CC2=O)cc1 ZINC000822240878 606195095 /nfs/dbraw/zinc/19/50/95/606195095.db2.gz CNKDFOODMKVQKV-CYBMUJFWSA-N -1 1 378.392 1.872 20 0 GDADMM COc1ccc([C@H](CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])NC(C)=O)cc1 ZINC000821777831 606294025 /nfs/dbraw/zinc/29/40/25/606294025.db2.gz MULYAWZFNNJJIN-HNNXBMFYSA-N -1 1 396.407 1.787 20 0 GDADMM O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822986810 606294379 /nfs/dbraw/zinc/29/43/79/606294379.db2.gz LXOFHCBPDCYXRG-UHFFFAOYSA-N -1 1 377.364 1.792 20 0 GDADMM O=C(CSc1nnnn1C1CCCC1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823074446 606294485 /nfs/dbraw/zinc/29/44/85/606294485.db2.gz SBDSOSLXANBBMF-UHFFFAOYSA-N -1 1 387.429 1.405 20 0 GDADMM CS/C=C/C(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000821956021 606310107 /nfs/dbraw/zinc/31/01/07/606310107.db2.gz FPSNCQOIDXCFTM-ONNFQVAWSA-N -1 1 387.425 1.640 20 0 GDADMM COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821655203 606435019 /nfs/dbraw/zinc/43/50/19/606435019.db2.gz HBMIQGXJLUNPQS-LLVKDONJSA-N -1 1 385.833 1.236 20 0 GDADMM Cc1cccc2[nH]cc(CCNS(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)c21 ZINC000822331285 606436207 /nfs/dbraw/zinc/43/62/07/606436207.db2.gz BQTKEPSQAJYWRJ-UHFFFAOYSA-N -1 1 383.437 1.572 20 0 GDADMM Cc1cccc2[nH]cc(CCNS(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)c21 ZINC000822331285 606436208 /nfs/dbraw/zinc/43/62/08/606436208.db2.gz BQTKEPSQAJYWRJ-UHFFFAOYSA-N -1 1 383.437 1.572 20 0 GDADMM CC(C)c1nc([C@@H]2CN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CCO2)no1 ZINC000820202047 606461865 /nfs/dbraw/zinc/46/18/65/606461865.db2.gz FBWLTVVSCYOZCW-JTQLQIEISA-N -1 1 376.808 1.999 20 0 GDADMM CC(C)c1nc([C@@H]2CN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CCO2)no1 ZINC000820202047 606461866 /nfs/dbraw/zinc/46/18/66/606461866.db2.gz FBWLTVVSCYOZCW-JTQLQIEISA-N -1 1 376.808 1.999 20 0 GDADMM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000820768581 606472690 /nfs/dbraw/zinc/47/26/90/606472690.db2.gz OFGVXYCNTDZOHM-YPMHNXCESA-N -1 1 387.469 1.497 20 0 GDADMM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000820768581 606472692 /nfs/dbraw/zinc/47/26/92/606472692.db2.gz OFGVXYCNTDZOHM-YPMHNXCESA-N -1 1 387.469 1.497 20 0 GDADMM Cc1ccc([C@H]2[C@H](C)CCCN2c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1 ZINC000822231663 606475544 /nfs/dbraw/zinc/47/55/44/606475544.db2.gz CCAMDWOYQYMFOY-CZUORRHYSA-N -1 1 395.467 1.550 20 0 GDADMM O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823171284 606492858 /nfs/dbraw/zinc/49/28/58/606492858.db2.gz SPURJCZBGQDNCW-UHFFFAOYSA-N -1 1 376.486 1.693 20 0 GDADMM COc1ccccc1C(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000821883325 606508898 /nfs/dbraw/zinc/50/88/98/606508898.db2.gz SXFOLMWTZJQCTN-UHFFFAOYSA-N -1 1 398.448 1.535 20 0 GDADMM COc1ccccc1C(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000821883325 606508899 /nfs/dbraw/zinc/50/88/99/606508899.db2.gz SXFOLMWTZJQCTN-UHFFFAOYSA-N -1 1 398.448 1.535 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000823436425 606517868 /nfs/dbraw/zinc/51/78/68/606517868.db2.gz VDNBIKAXYHMVKJ-INIZCTEOSA-N -1 1 392.419 1.857 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000823436425 606517871 /nfs/dbraw/zinc/51/78/71/606517871.db2.gz VDNBIKAXYHMVKJ-INIZCTEOSA-N -1 1 392.419 1.857 20 0 GDADMM Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c(OCC(=O)N(C)C)c1 ZINC000822254676 606533001 /nfs/dbraw/zinc/53/30/01/606533001.db2.gz OMSNUBZYBQGXMM-UHFFFAOYSA-N -1 1 386.437 1.956 20 0 GDADMM Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c(OCC(=O)N(C)C)c1 ZINC000822254676 606533002 /nfs/dbraw/zinc/53/30/02/606533002.db2.gz OMSNUBZYBQGXMM-UHFFFAOYSA-N -1 1 386.437 1.956 20 0 GDADMM CN1C(=S)N=NC1[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000822605028 606554080 /nfs/dbraw/zinc/55/40/80/606554080.db2.gz VIZCMGPZBNTETQ-MRVPVSSYSA-N -1 1 376.471 1.365 20 0 GDADMM CN1C(=S)N=NC1[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000822605028 606554082 /nfs/dbraw/zinc/55/40/82/606554082.db2.gz VIZCMGPZBNTETQ-MRVPVSSYSA-N -1 1 376.471 1.365 20 0 GDADMM CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000819899555 606559620 /nfs/dbraw/zinc/55/96/20/606559620.db2.gz WVTVWOQDAFSFHR-LLVKDONJSA-N -1 1 376.486 1.943 20 0 GDADMM CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000819899555 606559622 /nfs/dbraw/zinc/55/96/22/606559622.db2.gz WVTVWOQDAFSFHR-LLVKDONJSA-N -1 1 376.486 1.943 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCC(=O)OC2CCCCC2)cc1-c1nn[n-]n1 ZINC000821979818 606585178 /nfs/dbraw/zinc/58/51/78/606585178.db2.gz YPGJOMWLHWADNY-UHFFFAOYSA-N -1 1 392.441 1.295 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC[C@@H]2CCO[C@@H]2C(C)C)cc1-c1nn[n-]n1 ZINC000821979816 606600258 /nfs/dbraw/zinc/60/02/58/606600258.db2.gz YOTAXKRZRCTQOH-JOYOIKCWSA-N -1 1 378.458 1.480 20 0 GDADMM O=C(CCCc1ccc2c(c1)CC(=O)N2)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823542709 606647504 /nfs/dbraw/zinc/64/75/04/606647504.db2.gz YHBCRALZCCDKAB-UHFFFAOYSA-N -1 1 378.392 1.822 20 0 GDADMM O=C(CCCc1ccc2c(c1)CC(=O)N2)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823542709 606647505 /nfs/dbraw/zinc/64/75/05/606647505.db2.gz YHBCRALZCCDKAB-UHFFFAOYSA-N -1 1 378.392 1.822 20 0 GDADMM Cc1ccc(N2C[C@H](C(=O)OCc3ccnc(-c4nnn[n-]4)c3)CC2=O)cc1 ZINC000822241496 606648839 /nfs/dbraw/zinc/64/88/39/606648839.db2.gz YCUVEVOZAOIDIA-CQSZACIVSA-N -1 1 378.392 1.666 20 0 GDADMM Cc1ccc(N2C[C@H](C(=O)OCc3ccnc(-c4nn[n-]n4)c3)CC2=O)cc1 ZINC000822241496 606648840 /nfs/dbraw/zinc/64/88/40/606648840.db2.gz YCUVEVOZAOIDIA-CQSZACIVSA-N -1 1 378.392 1.666 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000823436234 606651346 /nfs/dbraw/zinc/65/13/46/606651346.db2.gz NAKOAFKGLXVNSQ-UHFFFAOYSA-N -1 1 393.338 1.304 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000823436234 606651347 /nfs/dbraw/zinc/65/13/47/606651347.db2.gz NAKOAFKGLXVNSQ-UHFFFAOYSA-N -1 1 393.338 1.304 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCc1cccs1 ZINC000820788471 606762851 /nfs/dbraw/zinc/76/28/51/606762851.db2.gz HUUSPNVRFMRGHV-GFCCVEGCSA-N -1 1 399.484 1.181 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCc1cccs1 ZINC000820788471 606762854 /nfs/dbraw/zinc/76/28/54/606762854.db2.gz HUUSPNVRFMRGHV-GFCCVEGCSA-N -1 1 399.484 1.181 20 0 GDADMM Cc1ccc(CNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cc1 ZINC000822237321 606768522 /nfs/dbraw/zinc/76/85/22/606768522.db2.gz OWCOFMUFAQBMON-AWEZNQCLSA-N -1 1 393.455 1.385 20 0 GDADMM Cc1ccc(CNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cc1 ZINC000822237321 606768524 /nfs/dbraw/zinc/76/85/24/606768524.db2.gz OWCOFMUFAQBMON-AWEZNQCLSA-N -1 1 393.455 1.385 20 0 GDADMM Cc1cccc(NC(=O)CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1 ZINC000822324130 606779086 /nfs/dbraw/zinc/77/90/86/606779086.db2.gz WHXRPWNWOOVCHP-AWEZNQCLSA-N -1 1 393.455 1.114 20 0 GDADMM Cc1cccc(NC(=O)CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1 ZINC000822324130 606779088 /nfs/dbraw/zinc/77/90/88/606779088.db2.gz WHXRPWNWOOVCHP-AWEZNQCLSA-N -1 1 393.455 1.114 20 0 GDADMM CCCCc1noc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)n1 ZINC000821082777 606786310 /nfs/dbraw/zinc/78/63/10/606786310.db2.gz NZGSMSBQDLXVHP-LBPRGKRZSA-N -1 1 384.448 1.093 20 0 GDADMM CCCCc1noc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)n1 ZINC000821082777 606786312 /nfs/dbraw/zinc/78/63/12/606786312.db2.gz NZGSMSBQDLXVHP-LBPRGKRZSA-N -1 1 384.448 1.093 20 0 GDADMM Cc1cccc(CNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1 ZINC000822303754 606787809 /nfs/dbraw/zinc/78/78/09/606787809.db2.gz IERUUPYNYCSEIG-AWEZNQCLSA-N -1 1 393.455 1.385 20 0 GDADMM Cc1cccc(CNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1 ZINC000822303754 606787810 /nfs/dbraw/zinc/78/78/10/606787810.db2.gz IERUUPYNYCSEIG-AWEZNQCLSA-N -1 1 393.455 1.385 20 0 GDADMM C[C@@H]1CCC[C@H](NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)C1 ZINC000820697465 606788815 /nfs/dbraw/zinc/78/88/15/606788815.db2.gz HQYTVCUMBKFOMW-MCIONIFRSA-N -1 1 385.476 1.456 20 0 GDADMM C[C@@H]1CCC[C@H](NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)C1 ZINC000820697465 606788817 /nfs/dbraw/zinc/78/88/17/606788817.db2.gz HQYTVCUMBKFOMW-MCIONIFRSA-N -1 1 385.476 1.456 20 0 GDADMM COCCC(=O)COC(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1 ZINC000821684788 606795176 /nfs/dbraw/zinc/79/51/76/606795176.db2.gz KPSKGNWXVYJSGC-UHFFFAOYSA-N -1 1 377.426 1.623 20 0 GDADMM COCCC(=O)COC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000821684788 606795177 /nfs/dbraw/zinc/79/51/77/606795177.db2.gz KPSKGNWXVYJSGC-UHFFFAOYSA-N -1 1 377.426 1.623 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CC[C@H](Oc2cccnc2)C1 ZINC000823607440 606796135 /nfs/dbraw/zinc/79/61/35/606796135.db2.gz VQTNYCKYVPKZPF-LBPRGKRZSA-N -1 1 390.400 1.243 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CC[C@H](Oc2cccnc2)C1 ZINC000823607440 606796137 /nfs/dbraw/zinc/79/61/37/606796137.db2.gz VQTNYCKYVPKZPF-LBPRGKRZSA-N -1 1 390.400 1.243 20 0 GDADMM CC[C@H](C)Oc1cc(C)ccc1CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820876752 606800866 /nfs/dbraw/zinc/80/08/66/606800866.db2.gz UFHSAHWJDBPMBC-LBPRGKRZSA-N -1 1 399.455 1.362 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000822535301 606812629 /nfs/dbraw/zinc/81/26/29/606812629.db2.gz MVLAXJCUWDQGCO-KBPBESRZSA-N -1 1 398.423 1.579 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000822535301 606812631 /nfs/dbraw/zinc/81/26/31/606812631.db2.gz MVLAXJCUWDQGCO-KBPBESRZSA-N -1 1 398.423 1.579 20 0 GDADMM Cn1[nH]cnc1=NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000822714134 606813185 /nfs/dbraw/zinc/81/31/85/606813185.db2.gz GYFPLRIHEQXUHM-UHFFFAOYSA-N -1 1 380.343 1.601 20 0 GDADMM Cn1[nH]cnc1=NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000822714134 606813186 /nfs/dbraw/zinc/81/31/86/606813186.db2.gz GYFPLRIHEQXUHM-UHFFFAOYSA-N -1 1 380.343 1.601 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@@]1(CCO)CCOC1 ZINC000822535240 606819254 /nfs/dbraw/zinc/81/92/54/606819254.db2.gz KRYMWFHFOFQXGT-GOSISDBHSA-N -1 1 386.412 1.078 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@@]1(CCO)CCOC1 ZINC000822535240 606819256 /nfs/dbraw/zinc/81/92/56/606819256.db2.gz KRYMWFHFOFQXGT-GOSISDBHSA-N -1 1 386.412 1.078 20 0 GDADMM C[C@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1ccsc1 ZINC000819854259 606822677 /nfs/dbraw/zinc/82/26/77/606822677.db2.gz BMPZNCXEXANNPD-NEPJUHHUSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1ccsc1 ZINC000819854259 606822679 /nfs/dbraw/zinc/82/26/79/606822679.db2.gz BMPZNCXEXANNPD-NEPJUHHUSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C=Cc1cccs1 ZINC000820778971 606825013 /nfs/dbraw/zinc/82/50/13/606825013.db2.gz ZMVQRQLQKJODFU-QMAVJUDZSA-N -1 1 382.453 1.469 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C=Cc1cccs1 ZINC000820778971 606825015 /nfs/dbraw/zinc/82/50/15/606825015.db2.gz ZMVQRQLQKJODFU-QMAVJUDZSA-N -1 1 382.453 1.469 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C=Cc1ccccc1F ZINC000820774517 606825072 /nfs/dbraw/zinc/82/50/72/606825072.db2.gz FDBATDMDXIJXIP-KTRBRXNASA-N -1 1 394.414 1.546 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C=Cc1ccccc1F ZINC000820774517 606825074 /nfs/dbraw/zinc/82/50/74/606825074.db2.gz FDBATDMDXIJXIP-KTRBRXNASA-N -1 1 394.414 1.546 20 0 GDADMM Cc1ccccc1CNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000822361669 606827148 /nfs/dbraw/zinc/82/71/48/606827148.db2.gz FLXWYJKDRAJJNZ-CQSZACIVSA-N -1 1 393.455 1.385 20 0 GDADMM Cc1ccccc1CNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000822361669 606827150 /nfs/dbraw/zinc/82/71/50/606827150.db2.gz FLXWYJKDRAJJNZ-CQSZACIVSA-N -1 1 393.455 1.385 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCCc1ccccn1 ZINC000820777240 606829626 /nfs/dbraw/zinc/82/96/26/606829626.db2.gz QIQFTYSDCAFUSN-AWEZNQCLSA-N -1 1 393.455 1.112 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCCc1ccccn1 ZINC000820777240 606829628 /nfs/dbraw/zinc/82/96/28/606829628.db2.gz QIQFTYSDCAFUSN-AWEZNQCLSA-N -1 1 393.455 1.112 20 0 GDADMM COc1ccsc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821904135 606830135 /nfs/dbraw/zinc/83/01/35/606830135.db2.gz QUAXWQXIWQNUIM-SNVBAGLBSA-N -1 1 386.441 1.078 20 0 GDADMM COc1ccsc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821904135 606830137 /nfs/dbraw/zinc/83/01/37/606830137.db2.gz QUAXWQXIWQNUIM-SNVBAGLBSA-N -1 1 386.441 1.078 20 0 GDADMM CCc1cccc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1 ZINC000821492301 606831598 /nfs/dbraw/zinc/83/15/98/606831598.db2.gz KWEYCHCQFZEUCK-ZDUSSCGKSA-N -1 1 393.455 1.962 20 0 GDADMM CCc1cccc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1 ZINC000821492301 606831600 /nfs/dbraw/zinc/83/16/00/606831600.db2.gz KWEYCHCQFZEUCK-ZDUSSCGKSA-N -1 1 393.455 1.962 20 0 GDADMM CN(CCN(C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000821601356 606844089 /nfs/dbraw/zinc/84/40/89/606844089.db2.gz CMUWANCNCRTJPA-UHFFFAOYSA-N -1 1 390.444 1.763 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N[C@H]1CCCCC1(C)C ZINC000820788911 606873815 /nfs/dbraw/zinc/87/38/15/606873815.db2.gz RCRWZXPOYCJBPV-KBPBESRZSA-N -1 1 399.503 1.846 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N[C@H]1CCCCC1(C)C ZINC000820788911 606873817 /nfs/dbraw/zinc/87/38/17/606873817.db2.gz RCRWZXPOYCJBPV-KBPBESRZSA-N -1 1 399.503 1.846 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1ncnc2c1CCCC2 ZINC000820804211 606874688 /nfs/dbraw/zinc/87/46/88/606874688.db2.gz NYQSCQVABSENII-LBPRGKRZSA-N -1 1 378.444 1.041 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1ncnc2c1CCCC2 ZINC000820804211 606874689 /nfs/dbraw/zinc/87/46/89/606874689.db2.gz NYQSCQVABSENII-LBPRGKRZSA-N -1 1 378.444 1.041 20 0 GDADMM COc1cccc(C2(NS(=O)(=O)c3ccc(F)c(-c4nn[n-]n4)c3)CC2)c1 ZINC000821862389 606942220 /nfs/dbraw/zinc/94/22/20/606942220.db2.gz ALWSQYLWMNRIEK-UHFFFAOYSA-N -1 1 389.412 1.982 20 0 GDADMM CN(CCC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821599480 606944581 /nfs/dbraw/zinc/94/45/81/606944581.db2.gz WMZCJLWKVLGJLW-UHFFFAOYSA-N -1 1 385.421 1.358 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000823607743 607007434 /nfs/dbraw/zinc/00/74/34/607007434.db2.gz WUGMVQNZEBHCFI-BDJLRTHQSA-N -1 1 381.433 1.322 20 0 GDADMM CC(C)OC(=O)[C@H](C)N(C)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000820141847 607128100 /nfs/dbraw/zinc/12/81/00/607128100.db2.gz BBGXZRQMSOUVOF-VIFPVBQESA-N -1 1 387.849 1.481 20 0 GDADMM CC(C)OC(=O)[C@H](C)N(C)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000820141847 607128102 /nfs/dbraw/zinc/12/81/02/607128102.db2.gz BBGXZRQMSOUVOF-VIFPVBQESA-N -1 1 387.849 1.481 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cc1-c1nn[n-]n1 ZINC000821970464 607159887 /nfs/dbraw/zinc/15/98/87/607159887.db2.gz OCGKYIXXPSHZTB-BMLIUANNSA-N -1 1 390.469 1.456 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC[C@@H](O)c2cccc(C)c2)cc1-c1nn[n-]n1 ZINC000821979020 607162564 /nfs/dbraw/zinc/16/25/64/607162564.db2.gz OARPRQHEFRWYOU-CYBMUJFWSA-N -1 1 386.437 1.461 20 0 GDADMM C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1cc(F)c(Cl)cc1Cl ZINC000820334546 607205859 /nfs/dbraw/zinc/20/58/59/607205859.db2.gz NHANHIIRAVZDGP-ZCFIWIBFSA-N -1 1 385.190 1.782 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(SCc2cccnc2)cc1 ZINC000823136223 607206362 /nfs/dbraw/zinc/20/63/62/607206362.db2.gz PAUOTIJKWABTON-UHFFFAOYSA-N -1 1 393.436 1.784 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000823123052 607207824 /nfs/dbraw/zinc/20/78/24/607207824.db2.gz MBXJYXRHWFEHIS-GFCCVEGCSA-N -1 1 388.819 1.182 20 0 GDADMM Cc1cc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)ccc1Oc1cccnc1 ZINC000822208592 607210814 /nfs/dbraw/zinc/21/08/14/607210814.db2.gz YZVDEPWFNXFIBY-UHFFFAOYSA-N -1 1 377.368 1.593 20 0 GDADMM C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(F)c(Br)c1 ZINC000821995031 607215324 /nfs/dbraw/zinc/21/53/24/607215324.db2.gz VCOLQTXBXZSZMY-SSDOTTSWSA-N -1 1 395.196 1.237 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1nc(-c2ccc3c(c2)CCO3)cs1 ZINC000823136306 607215846 /nfs/dbraw/zinc/21/58/46/607215846.db2.gz UVADQGPACWQGNS-UHFFFAOYSA-N -1 1 395.408 1.155 20 0 GDADMM Cc1ccc(CCN(Cc2ccco2)C(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000822236167 607220148 /nfs/dbraw/zinc/22/01/48/607220148.db2.gz MOZMLLHISGWYMY-UHFFFAOYSA-N -1 1 392.423 1.631 20 0 GDADMM C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(-c2cccnc2)cc1 ZINC000820333580 607221116 /nfs/dbraw/zinc/22/11/16/607221116.db2.gz DHLBTMQWUCKBLB-GFCCVEGCSA-N -1 1 375.396 1.398 20 0 GDADMM CC(=O)N1CC[C@H](NC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)[C@@H](C)C1 ZINC000823973981 607772758 /nfs/dbraw/zinc/77/27/58/607772758.db2.gz NKONJBMWYDIQTB-FZMZJTMJSA-N -1 1 397.439 1.546 20 0 GDADMM CC(=O)N1CC[C@H](NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)[C@@H](C)C1 ZINC000823973981 607772759 /nfs/dbraw/zinc/77/27/59/607772759.db2.gz NKONJBMWYDIQTB-FZMZJTMJSA-N -1 1 397.439 1.546 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCO[C@]3(CCc4ccccc43)C2)n1 ZINC000826357182 607804182 /nfs/dbraw/zinc/80/41/82/607804182.db2.gz VBZAUUWJEXWDAA-GOSISDBHSA-N -1 1 380.412 1.306 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCO[C@]3(CCc4ccccc43)C2)n1 ZINC000826357182 607804183 /nfs/dbraw/zinc/80/41/83/607804183.db2.gz VBZAUUWJEXWDAA-GOSISDBHSA-N -1 1 380.412 1.306 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)Nc2cccc3c2oc(=O)n3C)cc1-c1nn[n-]n1 ZINC000826229352 607811731 /nfs/dbraw/zinc/81/17/31/607811731.db2.gz ATLXIMDTCHUZFQ-UHFFFAOYSA-N -1 1 399.392 1.386 20 0 GDADMM O=S(=O)(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1cccc(F)c1-c1nnn[n-]1 ZINC000826488515 607819863 /nfs/dbraw/zinc/81/98/63/607819863.db2.gz ROVXNXDGMMFXQF-CUOATXAZSA-N -1 1 379.417 1.242 20 0 GDADMM O=S(=O)(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1cccc(F)c1-c1nn[n-]n1 ZINC000826488515 607819864 /nfs/dbraw/zinc/81/98/64/607819864.db2.gz ROVXNXDGMMFXQF-CUOATXAZSA-N -1 1 379.417 1.242 20 0 GDADMM C[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)[C@@H]1COc2ccccc21 ZINC000824640217 607852535 /nfs/dbraw/zinc/85/25/35/607852535.db2.gz DCKCSMOTLPIJRL-YGRLFVJLSA-N -1 1 389.412 1.849 20 0 GDADMM O=S(=O)(N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1cccc(F)c1-c1nnn[n-]1 ZINC000826488107 607853237 /nfs/dbraw/zinc/85/32/37/607853237.db2.gz IFPZTIRYXNXPSK-VCTAVGKDSA-N -1 1 393.444 1.632 20 0 GDADMM O=S(=O)(N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1cccc(F)c1-c1nn[n-]n1 ZINC000826488107 607853238 /nfs/dbraw/zinc/85/32/38/607853238.db2.gz IFPZTIRYXNXPSK-VCTAVGKDSA-N -1 1 393.444 1.632 20 0 GDADMM C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000824935996 607864127 /nfs/dbraw/zinc/86/41/27/607864127.db2.gz DLDUJAWUQHDCHI-PWSUYJOCSA-N -1 1 376.392 1.789 20 0 GDADMM C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000824935996 607864128 /nfs/dbraw/zinc/86/41/28/607864128.db2.gz DLDUJAWUQHDCHI-PWSUYJOCSA-N -1 1 376.392 1.789 20 0 GDADMM O=S(=O)(c1ccc(COc2cccc(F)c2-c2nnn[n-]2)o1)N1CCCC1 ZINC000826494852 607864945 /nfs/dbraw/zinc/86/49/45/607864945.db2.gz RUJHWGBCUOYTAU-UHFFFAOYSA-N -1 1 393.400 1.962 20 0 GDADMM O=S(=O)(c1ccc(COc2cccc(F)c2-c2nn[n-]n2)o1)N1CCCC1 ZINC000826494852 607864946 /nfs/dbraw/zinc/86/49/46/607864946.db2.gz RUJHWGBCUOYTAU-UHFFFAOYSA-N -1 1 393.400 1.962 20 0 GDADMM CS(=O)(=O)c1cccc(OCCOc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826223932 607865299 /nfs/dbraw/zinc/86/52/99/607865299.db2.gz GZUYVGFZSLFRTN-UHFFFAOYSA-N -1 1 378.385 1.867 20 0 GDADMM CS(=O)(=O)c1cccc(OCCOc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826223932 607865300 /nfs/dbraw/zinc/86/53/00/607865300.db2.gz GZUYVGFZSLFRTN-UHFFFAOYSA-N -1 1 378.385 1.867 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CC[C@@H](C3CCOCC3)C2)cc1-c1nn[n-]n1 ZINC000826229850 607875768 /nfs/dbraw/zinc/87/57/68/607875768.db2.gz UGFUFMHKZHVEDS-LLVKDONJSA-N -1 1 390.469 1.578 20 0 GDADMM Cc1nn(-c2ccccc2)c(COC(=O)c2cccc(=O)n2C)c1-c1nn[n-]n1 ZINC000826332948 607960206 /nfs/dbraw/zinc/96/02/06/607960206.db2.gz NZPRDPANAAVEAM-UHFFFAOYSA-N -1 1 391.391 1.417 20 0 GDADMM CC(C)(C)C(=O)N1CSC[C@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000824064374 607997874 /nfs/dbraw/zinc/99/78/74/607997874.db2.gz FZBFUFGWKAWKGI-NSHDSACASA-N -1 1 376.442 1.458 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H](c1ccccc1F)N1CCOCC1 ZINC000826451255 607997903 /nfs/dbraw/zinc/99/79/03/607997903.db2.gz XROXAHOCWNYYJE-QGZVFWFLSA-N -1 1 398.398 1.723 20 0 GDADMM C[C@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000824045368 607998972 /nfs/dbraw/zinc/99/89/72/607998972.db2.gz LSBOUPJFPCOYCK-JLLWLGSASA-N -1 1 384.396 1.075 20 0 GDADMM CCOC(=O)C[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000825498697 608040271 /nfs/dbraw/zinc/04/02/71/608040271.db2.gz AOMFOFBHFONCBK-QMMMGPOBSA-N -1 1 380.430 1.008 20 0 GDADMM CNC(=O)NCC(=O)Nc1ccc(Oc2ncccc2-c2nn[n-]n2)cc1C ZINC000826067526 608046387 /nfs/dbraw/zinc/04/63/87/608046387.db2.gz ICNZWVGXCLYMCP-UHFFFAOYSA-N -1 1 382.384 1.230 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC000822613612 608073134 /nfs/dbraw/zinc/07/31/34/608073134.db2.gz DXYLZAUUYXRKBM-JTQLQIEISA-N -1 1 391.436 1.121 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC000822613612 608073135 /nfs/dbraw/zinc/07/31/35/608073135.db2.gz DXYLZAUUYXRKBM-JTQLQIEISA-N -1 1 391.436 1.121 20 0 GDADMM CSC[C@H](CCO)NC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000826228594 608074277 /nfs/dbraw/zinc/07/42/77/608074277.db2.gz UITJCGMCUAOKGX-JTQLQIEISA-N -1 1 394.526 1.705 20 0 GDADMM Cc1oc(NC(=O)COC(=O)c2cnccc2Cl)c(-c2nn[n-]n2)c1C ZINC000826342763 608173898 /nfs/dbraw/zinc/17/38/98/608173898.db2.gz YQXZMDVBYGPNED-UHFFFAOYSA-N -1 1 376.760 1.920 20 0 GDADMM Cc1cnc(CN(C)[C@@H]2CCN(c3snc(Cl)c3-c3nn[n-]n3)C2)o1 ZINC000826318801 608190917 /nfs/dbraw/zinc/19/09/17/608190917.db2.gz ZQILXLNCNATMRY-SECBINFHSA-N -1 1 380.865 1.984 20 0 GDADMM C[C@@H]1CCC[C@H](OCC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1 ZINC000824925082 608210706 /nfs/dbraw/zinc/21/07/06/608210706.db2.gz ALRWGRVGZPDJJI-NEPJUHHUSA-N -1 1 376.465 1.158 20 0 GDADMM C[C@@H]1CCC[C@H](OCC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C1 ZINC000824925082 608210708 /nfs/dbraw/zinc/21/07/08/608210708.db2.gz ALRWGRVGZPDJJI-NEPJUHHUSA-N -1 1 376.465 1.158 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@H]1CCCc2ccccc21 ZINC000825923771 608211497 /nfs/dbraw/zinc/21/14/97/608211497.db2.gz VGAAKBSVELMKBP-AWEZNQCLSA-N -1 1 380.456 1.683 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@H]1CCCc2ccccc21 ZINC000825923771 608211499 /nfs/dbraw/zinc/21/14/99/608211499.db2.gz VGAAKBSVELMKBP-AWEZNQCLSA-N -1 1 380.456 1.683 20 0 GDADMM FC(F)Oc1ccc([C@H]2CN(c3nccnc3-c3nnn[n-]3)CCO2)cc1 ZINC000826369812 608235817 /nfs/dbraw/zinc/23/58/17/608235817.db2.gz RMUUGTNKQBNFIY-GFCCVEGCSA-N -1 1 375.339 1.836 20 0 GDADMM FC(F)Oc1ccc([C@H]2CN(c3nccnc3-c3nn[n-]n3)CCO2)cc1 ZINC000826369812 608235819 /nfs/dbraw/zinc/23/58/19/608235819.db2.gz RMUUGTNKQBNFIY-GFCCVEGCSA-N -1 1 375.339 1.836 20 0 GDADMM CSc1cc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)ccn1 ZINC000826230548 608250045 /nfs/dbraw/zinc/25/00/45/608250045.db2.gz YKIRAUSOHHETCB-UHFFFAOYSA-N -1 1 380.430 1.601 20 0 GDADMM CSc1cc(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)ccn1 ZINC000826230548 608250046 /nfs/dbraw/zinc/25/00/46/608250046.db2.gz YKIRAUSOHHETCB-UHFFFAOYSA-N -1 1 380.430 1.601 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(=O)n(-c2ccccc2F)n1 ZINC000826466989 608254790 /nfs/dbraw/zinc/25/47/90/608254790.db2.gz CADMFQJABJNEBO-UHFFFAOYSA-N -1 1 393.338 1.304 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(=O)n(-c2ccccc2F)n1 ZINC000826466989 608254791 /nfs/dbraw/zinc/25/47/91/608254791.db2.gz CADMFQJABJNEBO-UHFFFAOYSA-N -1 1 393.338 1.304 20 0 GDADMM COc1ccc([C@@H](OC)[C@@H](C)NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000826189482 608266380 /nfs/dbraw/zinc/26/63/80/608266380.db2.gz WRSIHURAVBOWRC-YGRLFVJLSA-N -1 1 386.416 1.507 20 0 GDADMM COc1ccc([C@@H](OC)[C@@H](C)NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000826189482 608266382 /nfs/dbraw/zinc/26/63/82/608266382.db2.gz WRSIHURAVBOWRC-YGRLFVJLSA-N -1 1 386.416 1.507 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@@]1(C)CCCOC1 ZINC000826328149 608279056 /nfs/dbraw/zinc/27/90/56/608279056.db2.gz HJTHJGOYZPITLP-SFHVURJKSA-N -1 1 384.444 1.144 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@@]1(C)CCCOC1 ZINC000826328149 608279058 /nfs/dbraw/zinc/27/90/58/608279058.db2.gz HJTHJGOYZPITLP-SFHVURJKSA-N -1 1 384.444 1.144 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@H]2CCO[C@H](C(C)C)C2)cc1-c1nn[n-]n1 ZINC000826229958 608280047 /nfs/dbraw/zinc/28/00/47/608280047.db2.gz XXGHIFOKDZMMPZ-CABZTGNLSA-N -1 1 378.458 1.623 20 0 GDADMM CS[C@@H](C)CCC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000826225444 608292802 /nfs/dbraw/zinc/29/28/02/608292802.db2.gz CGODPOXOBGVTJF-NSHDSACASA-N -1 1 391.501 1.912 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000826496345 608306046 /nfs/dbraw/zinc/30/60/46/608306046.db2.gz SUMJIPCTLCXWGD-QWHCGFSZSA-N -1 1 395.460 1.833 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000826496345 608306047 /nfs/dbraw/zinc/30/60/47/608306047.db2.gz SUMJIPCTLCXWGD-QWHCGFSZSA-N -1 1 395.460 1.833 20 0 GDADMM Cc1cc(-c2nn[nH]n2)ccc1C(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000826250041 608336994 /nfs/dbraw/zinc/33/69/94/608336994.db2.gz HPVHIOQNLVPEMY-UHFFFAOYSA-N -1 1 390.400 1.938 20 0 GDADMM COc1ccccc1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826219634 608338873 /nfs/dbraw/zinc/33/88/73/608338873.db2.gz KSGCPRKSWRMHGU-UHFFFAOYSA-N -1 1 398.427 1.082 20 0 GDADMM COc1ccccc1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826219634 608338874 /nfs/dbraw/zinc/33/88/74/608338874.db2.gz KSGCPRKSWRMHGU-UHFFFAOYSA-N -1 1 398.427 1.082 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCc2ccccc2F)n1 ZINC000824147819 608340295 /nfs/dbraw/zinc/34/02/95/608340295.db2.gz HVIYBKBOWTZGFL-UHFFFAOYSA-N -1 1 386.391 1.212 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCc2ccccc2F)n1 ZINC000824147819 608340297 /nfs/dbraw/zinc/34/02/97/608340297.db2.gz HVIYBKBOWTZGFL-UHFFFAOYSA-N -1 1 386.391 1.212 20 0 GDADMM C[C@H]1CCC[C@@H](N(C)C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000824927805 608341300 /nfs/dbraw/zinc/34/13/00/608341300.db2.gz QIEAGPMILQJJHY-NWDGAFQWSA-N -1 1 388.476 1.794 20 0 GDADMM C[C@H]1CCC[C@@H](N(C)C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000824927805 608341302 /nfs/dbraw/zinc/34/13/02/608341302.db2.gz QIEAGPMILQJJHY-NWDGAFQWSA-N -1 1 388.476 1.794 20 0 GDADMM CC(C)(C)c1cc(NC(=O)Cn2ncn3nccc3c2=O)c(-c2nnn[n-]2)s1 ZINC000824130536 608349308 /nfs/dbraw/zinc/34/93/08/608349308.db2.gz LYXVGDDZXRIHML-UHFFFAOYSA-N -1 1 399.440 1.069 20 0 GDADMM CC(C)(C)c1cc(NC(=O)Cn2ncn3nccc3c2=O)c(-c2nn[n-]n2)s1 ZINC000824130536 608349310 /nfs/dbraw/zinc/34/93/10/608349310.db2.gz LYXVGDDZXRIHML-UHFFFAOYSA-N -1 1 399.440 1.069 20 0 GDADMM C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)[C@H](C)C1 ZINC000824915357 608353732 /nfs/dbraw/zinc/35/37/32/608353732.db2.gz DJWCSNLECWIYDG-WZRBSPASSA-N -1 1 388.476 1.698 20 0 GDADMM C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)[C@H](C)C1 ZINC000824915357 608353733 /nfs/dbraw/zinc/35/37/33/608353733.db2.gz DJWCSNLECWIYDG-WZRBSPASSA-N -1 1 388.476 1.698 20 0 GDADMM CS[C@@H]1CC[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000826227941 608355204 /nfs/dbraw/zinc/35/52/04/608355204.db2.gz ZSVRFEUIMQYRKY-VHSXEESVSA-N -1 1 392.489 1.157 20 0 GDADMM CS[C@@H]1CC[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000826227941 608355206 /nfs/dbraw/zinc/35/52/06/608355206.db2.gz ZSVRFEUIMQYRKY-VHSXEESVSA-N -1 1 392.489 1.157 20 0 GDADMM CCCC1(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CCC1 ZINC000825247990 608358292 /nfs/dbraw/zinc/35/82/92/608358292.db2.gz KIOQJZWCHFEESI-UHFFFAOYSA-N -1 1 388.476 1.843 20 0 GDADMM CCCC1(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CCC1 ZINC000825247990 608358294 /nfs/dbraw/zinc/35/82/94/608358294.db2.gz KIOQJZWCHFEESI-UHFFFAOYSA-N -1 1 388.476 1.843 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1ccccc1Cl ZINC000825930099 608408180 /nfs/dbraw/zinc/40/81/80/608408180.db2.gz PQUILNWHWOSKOX-UHFFFAOYSA-N -1 1 375.824 1.922 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1ccccc1Cl ZINC000825930099 608408182 /nfs/dbraw/zinc/40/81/82/608408182.db2.gz PQUILNWHWOSKOX-UHFFFAOYSA-N -1 1 375.824 1.922 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCCc1ccc(F)cc1 ZINC000825930120 608408262 /nfs/dbraw/zinc/40/82/62/608408262.db2.gz PXFBYIQDJHBNPR-UHFFFAOYSA-N -1 1 387.423 1.128 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCCc1ccc(F)cc1 ZINC000825930120 608408263 /nfs/dbraw/zinc/40/82/63/608408263.db2.gz PXFBYIQDJHBNPR-UHFFFAOYSA-N -1 1 387.423 1.128 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1ccc(Cl)cn1 ZINC000825930795 608408265 /nfs/dbraw/zinc/40/82/65/608408265.db2.gz ZVORGHNMWGPVBY-UHFFFAOYSA-N -1 1 376.812 1.317 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1ccc(Cl)cn1 ZINC000825930795 608408266 /nfs/dbraw/zinc/40/82/66/608408266.db2.gz ZVORGHNMWGPVBY-UHFFFAOYSA-N -1 1 376.812 1.317 20 0 GDADMM OC[C@H](CNc1ccc(-c2nnn[n-]2)nn1)Cc1ccc(OC(F)(F)F)cc1 ZINC000826507912 608434672 /nfs/dbraw/zinc/43/46/72/608434672.db2.gz YKYAGFTVDYHTIA-NSHDSACASA-N -1 1 395.345 1.818 20 0 GDADMM OC[C@H](CNc1ccc(-c2nn[n-]n2)nn1)Cc1ccc(OC(F)(F)F)cc1 ZINC000826507912 608434674 /nfs/dbraw/zinc/43/46/74/608434674.db2.gz YKYAGFTVDYHTIA-NSHDSACASA-N -1 1 395.345 1.818 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCc2cccc(F)c2C1 ZINC000826495053 608448908 /nfs/dbraw/zinc/44/89/08/608448908.db2.gz ASJMMFBXHGOJOQ-UHFFFAOYSA-N -1 1 377.376 1.892 20 0 GDADMM Cc1cc(NC(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)ccn1 ZINC000826270153 608473710 /nfs/dbraw/zinc/47/37/10/608473710.db2.gz NPHXAVDGFZRCSZ-UHFFFAOYSA-N -1 1 395.427 1.212 20 0 GDADMM CCn1nccc1CN1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000825807702 608548703 /nfs/dbraw/zinc/54/87/03/608548703.db2.gz VPRIACQDDXNAGD-UHFFFAOYSA-N -1 1 395.427 1.653 20 0 GDADMM C[C@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)N1CCc2ccccc21 ZINC000824040310 608556314 /nfs/dbraw/zinc/55/63/14/608556314.db2.gz OBSWCSYZNUSPHG-GFCCVEGCSA-N -1 1 395.471 1.014 20 0 GDADMM C[C@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)N1CCc2ccccc21 ZINC000824040310 608556316 /nfs/dbraw/zinc/55/63/16/608556316.db2.gz OBSWCSYZNUSPHG-GFCCVEGCSA-N -1 1 395.471 1.014 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1c[nH]cc1-c1ccccc1 ZINC000825929187 608557033 /nfs/dbraw/zinc/55/70/33/608557033.db2.gz CEOBSZSUPUONQX-UHFFFAOYSA-N -1 1 391.439 1.872 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1c[nH]cc1-c1ccccc1 ZINC000825929187 608557034 /nfs/dbraw/zinc/55/70/34/608557034.db2.gz CEOBSZSUPUONQX-UHFFFAOYSA-N -1 1 391.439 1.872 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccnn1C1CCCC1 ZINC000825934280 608560394 /nfs/dbraw/zinc/56/03/94/608560394.db2.gz LQXKTGRTLWBDLM-UHFFFAOYSA-N -1 1 384.448 1.188 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccnn1C1CCCC1 ZINC000825934280 608560396 /nfs/dbraw/zinc/56/03/96/608560396.db2.gz LQXKTGRTLWBDLM-UHFFFAOYSA-N -1 1 384.448 1.188 20 0 GDADMM Cc1ncc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c(C(C)C)n1 ZINC000826329836 608561028 /nfs/dbraw/zinc/56/10/28/608561028.db2.gz UBKJJYAKSFRZNL-UHFFFAOYSA-N -1 1 384.448 1.099 20 0 GDADMM Cc1ncc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c(C(C)C)n1 ZINC000826329836 608561031 /nfs/dbraw/zinc/56/10/31/608561031.db2.gz UBKJJYAKSFRZNL-UHFFFAOYSA-N -1 1 384.448 1.099 20 0 GDADMM c1nc2cnccn2c1CN1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000826524913 608591137 /nfs/dbraw/zinc/59/11/37/608591137.db2.gz OMFSNINSORRGGE-UHFFFAOYSA-N -1 1 392.427 1.097 20 0 GDADMM COC[C@@H](C)NC(=O)C(=O)Nc1ccccc1Oc1ncccc1-c1nn[n-]n1 ZINC000826163704 608817114 /nfs/dbraw/zinc/81/71/14/608817114.db2.gz HHJGBFMRNMRIAP-LLVKDONJSA-N -1 1 397.395 1.144 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@@H]1CCO[C@@H](C)C1 ZINC000826328123 608829161 /nfs/dbraw/zinc/82/91/61/608829161.db2.gz GWQGCMJLYDFOSP-GXFFZTMASA-N -1 1 384.444 1.143 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@@H]1CCO[C@@H](C)C1 ZINC000826328123 608829164 /nfs/dbraw/zinc/82/91/64/608829164.db2.gz GWQGCMJLYDFOSP-GXFFZTMASA-N -1 1 384.444 1.143 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cc(F)c(F)c(F)c1 ZINC000825000798 608840018 /nfs/dbraw/zinc/84/00/18/608840018.db2.gz VHVJGRGAAKQXSL-JTQLQIEISA-N -1 1 390.373 1.785 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1cc(F)c(F)c(F)c1 ZINC000825000798 608840020 /nfs/dbraw/zinc/84/00/20/608840020.db2.gz VHVJGRGAAKQXSL-JTQLQIEISA-N -1 1 390.373 1.785 20 0 GDADMM CC(C)C[C@H]1C[C@@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC000824242688 609181438 /nfs/dbraw/zinc/18/14/38/609181438.db2.gz AIODJUGCIHXBES-RYUDHWBXSA-N -1 1 383.449 1.878 20 0 GDADMM CC(C)C[C@H]1C[C@@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC000824242688 609181439 /nfs/dbraw/zinc/18/14/39/609181439.db2.gz AIODJUGCIHXBES-RYUDHWBXSA-N -1 1 383.449 1.878 20 0 GDADMM Cc1nc(SCCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)[n-]c(=O)c1C ZINC000826327844 609182427 /nfs/dbraw/zinc/18/24/27/609182427.db2.gz WKLGRBMNXRTCOI-UHFFFAOYSA-N -1 1 392.466 1.545 20 0 GDADMM CC(C)Cc1cc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc(=O)[nH]1 ZINC000824274046 609260533 /nfs/dbraw/zinc/26/05/33/609260533.db2.gz CBORDDFWHMIIQH-UHFFFAOYSA-N -1 1 399.459 1.176 20 0 GDADMM CC(C)Cc1cc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc(=O)[nH]1 ZINC000824274046 609260535 /nfs/dbraw/zinc/26/05/35/609260535.db2.gz CBORDDFWHMIIQH-UHFFFAOYSA-N -1 1 399.459 1.176 20 0 GDADMM O=C(CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)NCc1ccccc1 ZINC000826414425 609280225 /nfs/dbraw/zinc/28/02/25/609280225.db2.gz VMVXYRWAUMSIDZ-UHFFFAOYSA-N -1 1 392.398 1.920 20 0 GDADMM COCc1cccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000826164794 609299144 /nfs/dbraw/zinc/29/91/44/609299144.db2.gz QLBGPADKEOZHNS-UHFFFAOYSA-N -1 1 399.459 1.093 20 0 GDADMM COCc1cccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000826164794 609299146 /nfs/dbraw/zinc/29/91/46/609299146.db2.gz QLBGPADKEOZHNS-UHFFFAOYSA-N -1 1 399.459 1.093 20 0 GDADMM CCC1CCC(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CC1 ZINC000825194426 609300152 /nfs/dbraw/zinc/30/01/52/609300152.db2.gz QQJOYLTYKFDNKQ-UHFFFAOYSA-N -1 1 389.508 1.962 20 0 GDADMM CCC1CCC(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CC1 ZINC000825194426 609300153 /nfs/dbraw/zinc/30/01/53/609300153.db2.gz QQJOYLTYKFDNKQ-UHFFFAOYSA-N -1 1 389.508 1.962 20 0 GDADMM CC[C@H]1CCCC[C@@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825194351 609300214 /nfs/dbraw/zinc/30/02/14/609300214.db2.gz POJJYLGZMFUPPL-RYUDHWBXSA-N -1 1 375.481 1.715 20 0 GDADMM CC[C@H]1CCCC[C@@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825194351 609300216 /nfs/dbraw/zinc/30/02/16/609300216.db2.gz POJJYLGZMFUPPL-RYUDHWBXSA-N -1 1 375.481 1.715 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCc1ccc(Cl)s1 ZINC000825929886 609300895 /nfs/dbraw/zinc/30/08/95/609300895.db2.gz NQSAEIDBODDLAP-UHFFFAOYSA-N -1 1 395.880 1.661 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCc1ccc(Cl)s1 ZINC000825929886 609300897 /nfs/dbraw/zinc/30/08/97/609300897.db2.gz NQSAEIDBODDLAP-UHFFFAOYSA-N -1 1 395.880 1.661 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C1(C(=O)NC2CC2)CC1 ZINC000826458501 609312481 /nfs/dbraw/zinc/31/24/81/609312481.db2.gz SDURVMHUHSLGLJ-UHFFFAOYSA-N -1 1 396.386 1.189 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)[C@H]1CCc2c[nH]nc2C1 ZINC000826458482 609314281 /nfs/dbraw/zinc/31/42/81/609314281.db2.gz RNNFJDRGEUYPFU-JTQLQIEISA-N -1 1 393.386 1.658 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1nccn2ccnc12 ZINC000826458929 609315555 /nfs/dbraw/zinc/31/55/55/609315555.db2.gz NCYYXXWMQPSXOI-UHFFFAOYSA-N -1 1 390.342 1.487 20 0 GDADMM Cc1nc(CNC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)no1 ZINC000826326112 609358649 /nfs/dbraw/zinc/35/86/49/609358649.db2.gz AMJFMOAQMJHXRV-UHFFFAOYSA-N -1 1 384.335 1.205 20 0 GDADMM C[C@@H](NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)[C@H]1CCOC1 ZINC000824507091 609361087 /nfs/dbraw/zinc/36/10/87/609361087.db2.gz UCAPLRBNMCHVBT-MNOVXSKESA-N -1 1 386.391 1.738 20 0 GDADMM CC1(CNC(=O)C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CCC1 ZINC000824824246 609367329 /nfs/dbraw/zinc/36/73/29/609367329.db2.gz SKCDRPXVMCKBPE-UHFFFAOYSA-N -1 1 398.402 1.436 20 0 GDADMM Cn1c(SCc2cc(=O)n3ncc(-c4nn[n-]n4)c3[nH]2)nnc1C1CCC1 ZINC000826356560 609379153 /nfs/dbraw/zinc/37/91/53/609379153.db2.gz WJMHAMINMIVJMF-UHFFFAOYSA-N -1 1 384.429 1.303 20 0 GDADMM COc1cccc2[nH]cc(CCNC(=O)Nc3nn(C)cc3-c3nnn[n-]3)c21 ZINC000826217274 609381851 /nfs/dbraw/zinc/38/18/51/609381851.db2.gz GEKZTYNGABANKI-UHFFFAOYSA-N -1 1 381.400 1.454 20 0 GDADMM COc1cccc2[nH]cc(CCNC(=O)Nc3nn(C)cc3-c3nn[n-]n3)c21 ZINC000826217274 609381854 /nfs/dbraw/zinc/38/18/54/609381854.db2.gz GEKZTYNGABANKI-UHFFFAOYSA-N -1 1 381.400 1.454 20 0 GDADMM COc1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])nc1Br ZINC000826187446 609416679 /nfs/dbraw/zinc/41/66/79/609416679.db2.gz PYEYLXTYOVOQHR-UHFFFAOYSA-N -1 1 391.185 1.991 20 0 GDADMM Cc1onc(CC(=O)NCCSCc2ccnc(Cl)c2)c1-c1nnn[n-]1 ZINC000826347888 609470791 /nfs/dbraw/zinc/47/07/91/609470791.db2.gz KMAKRVNIIASNQZ-UHFFFAOYSA-N -1 1 393.860 1.804 20 0 GDADMM Cc1onc(CC(=O)NCCSCc2ccnc(Cl)c2)c1-c1nn[n-]n1 ZINC000826347888 609470793 /nfs/dbraw/zinc/47/07/93/609470793.db2.gz KMAKRVNIIASNQZ-UHFFFAOYSA-N -1 1 393.860 1.804 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCC([C@@H]2CCOC2)CC1 ZINC000826495470 609611947 /nfs/dbraw/zinc/61/19/47/609611947.db2.gz QBXQHGDMNYGHRX-GFCCVEGCSA-N -1 1 381.433 1.443 20 0 GDADMM COC(=O)[C@@]1([N-]S(=O)(=O)Cc2cc(Cl)ccc2OC)CCSC1 ZINC000534651235 650227781 /nfs/dbraw/zinc/22/77/81/650227781.db2.gz AJGQHBVMMWJQKO-CQSZACIVSA-N -1 1 379.887 1.817 20 0 GDADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCCOCC)c(OC)c1 ZINC000534880631 650233642 /nfs/dbraw/zinc/23/36/42/650233642.db2.gz XMEAPSWJMGEZIG-UHFFFAOYSA-N -1 1 394.515 1.552 20 0 GDADMM CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)[N-]c1cnn(C)c1C ZINC000536411492 650270267 /nfs/dbraw/zinc/27/02/67/650270267.db2.gz ULMYKEWNOWOGHG-UHFFFAOYSA-N -1 1 388.471 1.300 20 0 GDADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000539149944 650328971 /nfs/dbraw/zinc/32/89/71/650328971.db2.gz ZXOHBWXENUTCSC-UHFFFAOYSA-N -1 1 386.426 1.853 20 0 GDADMM CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c(F)c2C)c1 ZINC000541165119 650379255 /nfs/dbraw/zinc/37/92/55/650379255.db2.gz LTUNJFOJAILVJL-UHFFFAOYSA-N -1 1 388.442 1.852 20 0 GDADMM COCCN(C)S(=O)(=O)[N-][C@@H](C(=O)OC)c1ccc(Cl)cc1Cl ZINC000542242369 650401498 /nfs/dbraw/zinc/40/14/98/650401498.db2.gz WRZBZWCWPNRNOX-GFCCVEGCSA-N -1 1 385.269 1.620 20 0 GDADMM COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000543616401 650424409 /nfs/dbraw/zinc/42/44/09/650424409.db2.gz IUILUAYAGTUYHG-QMMMGPOBSA-N -1 1 384.439 1.114 20 0 GDADMM COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000543616401 650424411 /nfs/dbraw/zinc/42/44/11/650424411.db2.gz IUILUAYAGTUYHG-QMMMGPOBSA-N -1 1 384.439 1.114 20 0 GDADMM C[C@H](CNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)c1nccs1 ZINC000543671499 650426563 /nfs/dbraw/zinc/42/65/63/650426563.db2.gz LGEFIWUBALRJNX-SECBINFHSA-N -1 1 393.487 1.736 20 0 GDADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](CO)c1cccc(Cl)c1F ZINC000544598751 650441477 /nfs/dbraw/zinc/44/14/77/650441477.db2.gz UWFQDINFXYRCHG-NSHDSACASA-N -1 1 391.808 1.391 20 0 GDADMM O=C(C[N-]S(=O)(=O)c1ccc(Br)o1)N1CCc2ccccc21 ZINC000544706594 650444872 /nfs/dbraw/zinc/44/48/72/650444872.db2.gz JRJLFDZHUFQSHZ-UHFFFAOYSA-N -1 1 385.239 1.910 20 0 GDADMM CCNC(=O)C(C)(C)CNC(=O)c1ccc(I)c([O-])c1 ZINC000544830068 650446151 /nfs/dbraw/zinc/44/61/51/650446151.db2.gz WKNXAOCFBWULFV-UHFFFAOYSA-N -1 1 390.221 1.889 20 0 GDADMM NC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(I)c([O-])c1 ZINC000544882538 650447802 /nfs/dbraw/zinc/44/78/02/650447802.db2.gz YPIBEJOGKSLUBD-MWLCHTKSSA-N -1 1 388.205 1.771 20 0 GDADMM O=C(NCCn1cnnc1C1CC1)c1ccc(I)c([O-])c1 ZINC000544879134 650447858 /nfs/dbraw/zinc/44/78/58/650447858.db2.gz SNWIOGMWYOMUGB-UHFFFAOYSA-N -1 1 398.204 1.896 20 0 GDADMM 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CC(F)(F)C[N-]S(=O)(=O)c1cc(Br)cc2c1OCCNC2=O ZINC000915893616 660180878 /nfs/dbraw/zinc/18/08/78/660180878.db2.gz ZWNWJNSDAXITLT-UHFFFAOYSA-N -1 1 399.213 1.505 20 0 GDADMM O=C(c1ccc(I)c([O-])c1)N1CCC2(C1)OCCO2 ZINC000396593474 677678280 /nfs/dbraw/zinc/67/82/80/677678280.db2.gz QSEBMNREEPIMJX-UHFFFAOYSA-N -1 1 375.162 1.586 20 0 GDADMM CN(C)c1nc2sc(C(=O)N3CCC(O)(c4nn[n-]n4)CC3)cc2s1 ZINC000798147496 677679308 /nfs/dbraw/zinc/67/93/08/677679308.db2.gz AODVGCIORRXONO-UHFFFAOYSA-N -1 1 379.471 1.061 20 0 GDADMM O=C([O-])[C@@H](NC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O)c1ccccc1 ZINC000426699325 939143295 /nfs/dbraw/zinc/14/32/95/939143295.db2.gz HXODPCYEHQKHFA-KRWDZBQOSA-N -1 1 379.372 1.200 20 0 GDADMM COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NC2(C(=O)[O-])CC2)c1 ZINC000538466821 939273202 /nfs/dbraw/zinc/27/32/02/939273202.db2.gz QMFWDSXCWUCUJX-UHFFFAOYSA-N -1 1 390.417 1.843 20 0 GDADMM COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NC2(C(=O)[O-])CC2)cc1 ZINC000538467069 939273261 /nfs/dbraw/zinc/27/32/61/939273261.db2.gz WFGHPYLZLPCLDN-UHFFFAOYSA-N -1 1 390.417 1.843 20 0 GDADMM C[C@H](CNC(=O)N[C@@H](C(=O)[O-])[C@H]1CCCOC1)N1CCc2ccccc2C1 ZINC000908914407 939351691 /nfs/dbraw/zinc/35/16/91/939351691.db2.gz WPNPDACXWPBVDA-FHLIZLRMSA-N -1 1 375.469 1.612 20 0 GDADMM CN1CCN(c2cccc(C(=O)N[C@@]3(C(=O)[O-])CCc4ccccc43)n2)CC1 ZINC000908973498 939362783 /nfs/dbraw/zinc/36/27/83/939362783.db2.gz DFFPBIPGRQDZFH-NRFANRHFSA-N -1 1 380.448 1.490 20 0 GDADMM CCO[C@H]1C[C@](NC(=O)c2cccc(N3CCN(C)CC3)n2)(C(=O)[O-])C1(C)C ZINC000909605853 939722627 /nfs/dbraw/zinc/72/26/27/939722627.db2.gz ZVYRVCGUTXUSLH-YWZLYKJASA-N -1 1 390.484 1.222 20 0 GDADMM C[C@H](NC(=O)N[C@H](C(=O)[O-])C1CC1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000929032130 939794511 /nfs/dbraw/zinc/79/45/11/939794511.db2.gz XESQRTADBISPNL-SJCJKPOMSA-N -1 1 378.448 1.801 20 0 GDADMM CO[C@@H]1CCC[C@H]([C@H](NC(=O)N[C@@H]2CCCN3CCSC[C@@H]23)C(=O)[O-])C1 ZINC000929063022 939809333 /nfs/dbraw/zinc/80/93/33/939809333.db2.gz FNWWVQYJHSPWOP-OTJKEOIZSA-N -1 1 385.530 1.524 20 0 GDADMM CCO[C@@H]1C[C@@](NC(=O)C2CCC(N3CCOCC3)CC2)(C(=O)[O-])C1(C)C ZINC001119643246 939815572 /nfs/dbraw/zinc/81/55/72/939815572.db2.gz BMZXZIZEEDPSHU-JNKIDDAASA-N -1 1 382.501 1.652 20 0 GDADMM COC(=O)C1(c2ccc(S(=O)(=O)[N-]c3ccc(-c4nn[nH]n4)cc3)cc2)CC1 ZINC000371507909 944631285 /nfs/dbraw/zinc/63/12/85/944631285.db2.gz FCWGTEIKGCFQHG-UHFFFAOYSA-N -1 1 399.432 1.872 20 0 GDADMM Cc1ncc(C(=O)N2CC[C@@H](N(C)c3nc(C)cc(-c4nnn[n-]4)n3)C2)s1 ZINC001571261460 945426696 /nfs/dbraw/zinc/42/66/96/945426696.db2.gz FTHVVGFQSGEIHE-LLVKDONJSA-N -1 1 385.457 1.081 20 0 GDADMM Cc1ncc(C(=O)N2CC[C@@H](N(C)c3nc(C)cc(-c4nn[n-]n4)n3)C2)s1 ZINC001571261460 945426698 /nfs/dbraw/zinc/42/66/98/945426698.db2.gz FTHVVGFQSGEIHE-LLVKDONJSA-N -1 1 385.457 1.081 20 0 GDADMM CN(C[C@@H]1CCCN(C(=O)c2ccsn2)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571261666 945429217 /nfs/dbraw/zinc/42/92/17/945429217.db2.gz IAESXCIAWOVZKP-NSHDSACASA-N -1 1 385.457 1.102 20 0 GDADMM CC(C)c1ncsc1C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571262032 945433105 /nfs/dbraw/zinc/43/31/05/945433105.db2.gz MPYGTQJMENKVGD-JTQLQIEISA-N -1 1 385.457 1.563 20 0 GDADMM CC(C)c1ncsc1C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571262032 945433114 /nfs/dbraw/zinc/43/31/14/945433114.db2.gz MPYGTQJMENKVGD-JTQLQIEISA-N -1 1 385.457 1.563 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)CCc3cscn3)C2)n1 ZINC001571261899 945433153 /nfs/dbraw/zinc/43/31/53/945433153.db2.gz LWEAYFZQYGGTMD-NSHDSACASA-N -1 1 385.457 1.067 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)CCc3cscn3)C2)n1 ZINC001571261899 945433157 /nfs/dbraw/zinc/43/31/57/945433157.db2.gz LWEAYFZQYGGTMD-NSHDSACASA-N -1 1 385.457 1.067 20 0 GDADMM CC[C@H]1CN(C(=O)c2cscn2)CC[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571262559 945438641 /nfs/dbraw/zinc/43/86/41/945438641.db2.gz UPAJQOHRMIYENM-QWRGUYRKSA-N -1 1 385.457 1.466 20 0 GDADMM CC[C@H]1CN(C(=O)c2cscn2)CC[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571262559 945438645 /nfs/dbraw/zinc/43/86/45/945438645.db2.gz UPAJQOHRMIYENM-QWRGUYRKSA-N -1 1 385.457 1.466 20 0 GDADMM Cc1ncsc1C(=O)N[C@@H]1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571262993 945447560 /nfs/dbraw/zinc/44/75/60/945447560.db2.gz DZYGKALOLLLOKH-GHMZBOCLSA-N -1 1 385.457 1.432 20 0 GDADMM Cc1ncsc1C(=O)N[C@@H]1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571262993 945447567 /nfs/dbraw/zinc/44/75/67/945447567.db2.gz DZYGKALOLLLOKH-GHMZBOCLSA-N -1 1 385.457 1.432 20 0 GDADMM Cc1nsc(C)c1C(=O)N1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571263328 945455581 /nfs/dbraw/zinc/45/55/81/945455581.db2.gz MYXAJYSCWDUSNC-NSHDSACASA-N -1 1 385.457 1.304 20 0 GDADMM Cc1nsc(C)c1C(=O)N1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571263328 945455585 /nfs/dbraw/zinc/45/55/85/945455585.db2.gz MYXAJYSCWDUSNC-NSHDSACASA-N -1 1 385.457 1.304 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@H](N(C)c3ccnc(-c4nn[n-]n4)n3)C2)ns1 ZINC001571263548 945460963 /nfs/dbraw/zinc/46/09/63/945460963.db2.gz SWJMWFSGVJKSOF-NSHDSACASA-N -1 1 385.457 1.163 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)[C@H](C)C2)ns1 ZINC001571263535 945461551 /nfs/dbraw/zinc/46/15/51/945461551.db2.gz SNOPFFQWRDRNHH-MWLCHTKSSA-N -1 1 385.457 1.209 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)[C@H](C)C2)ns1 ZINC001571263535 945461559 /nfs/dbraw/zinc/46/15/59/945461559.db2.gz SNOPFFQWRDRNHH-MWLCHTKSSA-N -1 1 385.457 1.209 20 0 GDADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)c2cncc(Cl)c2)C1 ZINC001571265200 945503597 /nfs/dbraw/zinc/50/35/97/945503597.db2.gz GUCRGKMDSQETMM-GFCCVEGCSA-N -1 1 385.819 1.056 20 0 GDADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)c2cncc(Cl)c2)C1 ZINC001571265200 945503601 /nfs/dbraw/zinc/50/36/01/945503601.db2.gz GUCRGKMDSQETMM-GFCCVEGCSA-N -1 1 385.819 1.056 20 0 GDADMM C[C@@H]1CN(C(=O)c2cncc(Cl)c2)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571265537 945513945 /nfs/dbraw/zinc/51/39/45/945513945.db2.gz LIPCSGPDTBMJPJ-RNCFNFMXSA-N -1 1 385.819 1.278 20 0 GDADMM C[C@@H]1CN(C(=O)c2cncc(Cl)c2)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571265537 945513957 /nfs/dbraw/zinc/51/39/57/945513957.db2.gz LIPCSGPDTBMJPJ-RNCFNFMXSA-N -1 1 385.819 1.278 20 0 GDADMM O=C(c1sccc1F)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001571269438 945618664 /nfs/dbraw/zinc/61/86/64/945618664.db2.gz YLCJQUFHWUGLMH-AOOOYVTPSA-N -1 1 386.416 1.066 20 0 GDADMM O=C(c1sccc1F)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001571269438 945618665 /nfs/dbraw/zinc/61/86/65/945618665.db2.gz YLCJQUFHWUGLMH-AOOOYVTPSA-N -1 1 386.416 1.066 20 0 GDADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CN(C(=O)c2ccsc2)CCO1 ZINC001571270219 945631834 /nfs/dbraw/zinc/63/18/34/945631834.db2.gz NUIHTUNXASQDTQ-GWCFXTLKSA-N -1 1 386.441 1.060 20 0 GDADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CN(C(=O)c2ccsc2)CCO1 ZINC001571270219 945631839 /nfs/dbraw/zinc/63/18/39/945631839.db2.gz NUIHTUNXASQDTQ-GWCFXTLKSA-N -1 1 386.441 1.060 20 0 GDADMM CN(c1nccnc1-c1nnn[n-]1)[C@@H]1CCCN(C(=O)CC[C@@H]2CCCO2)C1 ZINC001571272224 945659003 /nfs/dbraw/zinc/65/90/03/945659003.db2.gz BKYYDFSCMZGOBH-KGLIPLIRSA-N -1 1 386.460 1.043 20 0 GDADMM CN(c1nccnc1-c1nn[n-]n1)[C@@H]1CCCN(C(=O)CC[C@@H]2CCCO2)C1 ZINC001571272224 945659006 /nfs/dbraw/zinc/65/90/06/945659006.db2.gz BKYYDFSCMZGOBH-KGLIPLIRSA-N -1 1 386.460 1.043 20 0 GDADMM C[C@@H]1CN(C(=O)COC2CCCCC2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571272638 945667706 /nfs/dbraw/zinc/66/77/06/945667706.db2.gz GSGGPJJQFMRJIZ-IUODEOHRSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H]1CN(C(=O)COC2CCCCC2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571272638 945667711 /nfs/dbraw/zinc/66/77/11/945667711.db2.gz GSGGPJJQFMRJIZ-IUODEOHRSA-N -1 1 386.460 1.265 20 0 GDADMM CO[C@@H](C(=O)N1CC[C@@](C)(CNc2cncc(-c3nnn[n-]3)n2)C1)C1CCC1 ZINC001571273531 945690923 /nfs/dbraw/zinc/69/09/23/945690923.db2.gz ZGSBWOBYIZHLNA-QAPCUYQASA-N -1 1 386.460 1.122 20 0 GDADMM CO[C@@H](C(=O)N1CC[C@@](C)(CNc2cncc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001571273531 945690926 /nfs/dbraw/zinc/69/09/26/945690926.db2.gz ZGSBWOBYIZHLNA-QAPCUYQASA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CN(C(=O)[C@@]2(C)CCCOC2)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571275868 945718721 /nfs/dbraw/zinc/71/87/21/945718721.db2.gz DKZPRBZBQRFYIG-UGSOOPFHSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CN(C(=O)[C@@]2(C)CCCOC2)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571275868 945718726 /nfs/dbraw/zinc/71/87/26/945718726.db2.gz DKZPRBZBQRFYIG-UGSOOPFHSA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)[C@@H]1CCCCO1 ZINC001571276579 945732604 /nfs/dbraw/zinc/73/26/04/945732604.db2.gz ITUGTVKVKUIOQL-JSGCOSHPSA-N -1 1 386.460 1.265 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)[C@@H]1CCCCO1 ZINC001571276579 945732613 /nfs/dbraw/zinc/73/26/13/945732613.db2.gz ITUGTVKVKUIOQL-JSGCOSHPSA-N -1 1 386.460 1.265 20 0 GDADMM CC(C)(CC(=O)N1CCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1)C1CC1 ZINC001571276656 945733753 /nfs/dbraw/zinc/73/37/53/945733753.db2.gz KINCWEXXZCZGFI-ZDUSSCGKSA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)(CC(=O)N1CCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1)C1CC1 ZINC001571276656 945733758 /nfs/dbraw/zinc/73/37/58/945733758.db2.gz KINCWEXXZCZGFI-ZDUSSCGKSA-N -1 1 386.460 1.122 20 0 GDADMM COC(=O)[C@@H](c1cccc(OC)c1)N(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001571276714 945735765 /nfs/dbraw/zinc/73/57/65/945735765.db2.gz JVTWPYGCBYAZAX-CQSZACIVSA-N -1 1 387.421 1.923 20 0 GDADMM COC(=O)[C@@H](c1cccc(OC)c1)N(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001571276714 945735772 /nfs/dbraw/zinc/73/57/72/945735772.db2.gz JVTWPYGCBYAZAX-CQSZACIVSA-N -1 1 387.421 1.923 20 0 GDADMM CCC1(Nc2nc(C)cc(-c3nnn[n-]3)n2)CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001571279680 945785209 /nfs/dbraw/zinc/78/52/09/945785209.db2.gz XVNNHXRAIXWKOC-AWEZNQCLSA-N -1 1 386.460 1.327 20 0 GDADMM CCC1(Nc2nc(C)cc(-c3nn[n-]n3)n2)CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001571279680 945785212 /nfs/dbraw/zinc/78/52/12/945785212.db2.gz XVNNHXRAIXWKOC-AWEZNQCLSA-N -1 1 386.460 1.327 20 0 GDADMM Cc1nsc(N2CC[C@H](N(C)C(=O)c3n[nH]c(C)c3C)C2)c1-c1nn[n-]n1 ZINC001571281222 945801513 /nfs/dbraw/zinc/80/15/13/945801513.db2.gz FVNGSLYSCNATSC-NSHDSACASA-N -1 1 387.473 1.322 20 0 GDADMM Cc1c[nH]c(C(=O)N[C@@H]2CN(c3snc(C)c3-c3nn[n-]n3)CC2(C)C)n1 ZINC001571282231 945834134 /nfs/dbraw/zinc/83/41/34/945834134.db2.gz VJUILURKGJSQEJ-SNVBAGLBSA-N -1 1 387.473 1.308 20 0 GDADMM CCCc1cc(C(=O)N[C@H]2C[C@H](Nc3snc(C)c3-c3nn[n-]n3)C2)[nH]n1 ZINC001571282434 945844133 /nfs/dbraw/zinc/84/41/33/945844133.db2.gz YIZPTBMTAXQFPA-XYPYZODXSA-N -1 1 387.473 1.680 20 0 GDADMM COc1ccc(C)cc1N1C[C@H](C(=O)Nc2ncc(-c3nnn[n-]3)s2)CC1=O ZINC000821782652 945860477 /nfs/dbraw/zinc/86/04/77/945860477.db2.gz JFIOMCLHUOUQRT-SNVBAGLBSA-N -1 1 399.436 1.632 20 0 GDADMM COc1ccc(C)cc1N1C[C@H](C(=O)Nc2ncc(-c3nn[n-]n3)s2)CC1=O ZINC000821782652 945860493 /nfs/dbraw/zinc/86/04/93/945860493.db2.gz JFIOMCLHUOUQRT-SNVBAGLBSA-N -1 1 399.436 1.632 20 0 GDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCN(C(=O)c2ccc(Cl)[nH]2)C1 ZINC001571283423 945886472 /nfs/dbraw/zinc/88/64/72/945886472.db2.gz FTEXWECPDMBITB-NXEZZACHSA-N -1 1 387.835 1.601 20 0 GDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCN(C(=O)c2ccc(Cl)[nH]2)C1 ZINC001571283423 945886489 /nfs/dbraw/zinc/88/64/89/945886489.db2.gz FTEXWECPDMBITB-NXEZZACHSA-N -1 1 387.835 1.601 20 0 GDADMM C[C@H]1CN(C(=O)c2cc(Cl)c[nH]2)CC[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571283709 945889277 /nfs/dbraw/zinc/88/92/77/945889277.db2.gz HGSUWNAEYGVTQC-ONGXEEELSA-N -1 1 387.835 1.601 20 0 GDADMM C[C@H]1CN(C(=O)c2cc(Cl)c[nH]2)CC[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571283709 945889291 /nfs/dbraw/zinc/88/92/91/945889291.db2.gz HGSUWNAEYGVTQC-ONGXEEELSA-N -1 1 387.835 1.601 20 0 GDADMM CN(c1nccnc1-c1nnn[n-]1)C1CCN(C(=O)c2ccc(Cl)[nH]2)CC1 ZINC001571284715 945905167 /nfs/dbraw/zinc/90/51/67/945905167.db2.gz UMPWFKPSNYKSNK-UHFFFAOYSA-N -1 1 387.835 1.379 20 0 GDADMM CN(c1nccnc1-c1nn[n-]n1)C1CCN(C(=O)c2ccc(Cl)[nH]2)CC1 ZINC001571284715 945905181 /nfs/dbraw/zinc/90/51/81/945905181.db2.gz UMPWFKPSNYKSNK-UHFFFAOYSA-N -1 1 387.835 1.379 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)O[C@H]1CCN(C(C)C)C1=O ZINC000822009716 945917058 /nfs/dbraw/zinc/91/70/58/945917058.db2.gz CPROUYMBILOTBD-ZDUSSCGKSA-N -1 1 388.428 1.069 20 0 GDADMM C[C@H](Nc1nccnc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)c2sccc2F)C1 ZINC001571286390 945945792 /nfs/dbraw/zinc/94/57/92/945945792.db2.gz GNARUSNUMSLIBL-VHSXEESVSA-N -1 1 388.432 1.820 20 0 GDADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)c2sccc2F)C1 ZINC001571286390 945945799 /nfs/dbraw/zinc/94/57/99/945945799.db2.gz GNARUSNUMSLIBL-VHSXEESVSA-N -1 1 388.432 1.820 20 0 GDADMM Cc1nsc(N2C[C@H]3CC[C@@H](C2)N3C(=O)c2cc(F)c[nH]2)c1-c1nn[n-]n1 ZINC001571286798 945960875 /nfs/dbraw/zinc/96/08/75/945960875.db2.gz RRHVUFYEYTXLKR-PHIMTYICSA-N -1 1 388.432 1.592 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2C[C@H](NC(=O)c3ccc(F)s3)C2)n1 ZINC001571286972 945966506 /nfs/dbraw/zinc/96/65/06/945966506.db2.gz WZAXNVZLBSUVNJ-MGCOHNPYSA-N -1 1 388.432 1.786 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2C[C@H](NC(=O)c3ccc(F)s3)C2)n1 ZINC001571286972 945966512 /nfs/dbraw/zinc/96/65/12/945966512.db2.gz WZAXNVZLBSUVNJ-MGCOHNPYSA-N -1 1 388.432 1.786 20 0 GDADMM CCc1nc(C(=O)N2CCN(c3snc(C)c3-c3nn[n-]n3)CC2)c(C)o1 ZINC001571289371 946004918 /nfs/dbraw/zinc/00/49/18/946004918.db2.gz AUYGNMUUQSTVKU-UHFFFAOYSA-N -1 1 388.457 1.453 20 0 GDADMM CCc1ocnc1C(=O)N1CCC[C@@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001571289818 946019908 /nfs/dbraw/zinc/01/99/08/946019908.db2.gz NDGYDFVEBWNJLI-SNVBAGLBSA-N -1 1 388.457 1.899 20 0 GDADMM Cc1nc(C)c(C(=O)N[C@@H]2CCCN(c3snc(C)c3-c3nn[n-]n3)C2)o1 ZINC001571289862 946021420 /nfs/dbraw/zinc/02/14/20/946021420.db2.gz OFLLLDIBPLPEIQ-LLVKDONJSA-N -1 1 388.457 1.635 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)CC1)C1(F)CCCC1 ZINC001571290151 946032881 /nfs/dbraw/zinc/03/28/81/946032881.db2.gz WFVURGRZUVEZKT-JOCQHMNTSA-N -1 1 388.451 1.448 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cccc(Cl)c1F ZINC001571290672 946050700 /nfs/dbraw/zinc/05/07/00/946050700.db2.gz LMTCKRFDRZGESP-DTORHVGOSA-N -1 1 388.794 1.822 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cccc(Cl)c1F ZINC001571290672 946050712 /nfs/dbraw/zinc/05/07/12/946050712.db2.gz LMTCKRFDRZGESP-DTORHVGOSA-N -1 1 388.794 1.822 20 0 GDADMM O=C(N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccc(Cl)c(F)c1 ZINC001571290705 946052458 /nfs/dbraw/zinc/05/24/58/946052458.db2.gz MOBXMQZHHOQOPR-JTQLQIEISA-N -1 1 388.794 1.458 20 0 GDADMM O=C(N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccc(Cl)c(F)c1 ZINC001571290705 946052470 /nfs/dbraw/zinc/05/24/70/946052470.db2.gz MOBXMQZHHOQOPR-JTQLQIEISA-N -1 1 388.794 1.458 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cc(F)cc(Cl)c1 ZINC001571290761 946053211 /nfs/dbraw/zinc/05/32/11/946053211.db2.gz ODDLHFVSUJISON-HAQNSBGRSA-N -1 1 388.794 1.822 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cc(F)cc(Cl)c1 ZINC001571290761 946053215 /nfs/dbraw/zinc/05/32/15/946053215.db2.gz ODDLHFVSUJISON-HAQNSBGRSA-N -1 1 388.794 1.822 20 0 GDADMM C[C@H]1CC[C@H](NC(=O)c2occc2Cl)CN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571290936 946064185 /nfs/dbraw/zinc/06/41/85/946064185.db2.gz UYMYUVLYNQQFPJ-UWVGGRQHSA-N -1 1 388.819 1.690 20 0 GDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)NC[C@H]1CCCN1CC(F)(F)F ZINC001571292048 946088231 /nfs/dbraw/zinc/08/82/31/946088231.db2.gz UADKFQPGBBNLJI-SECBINFHSA-N -1 1 389.407 1.754 20 0 GDADMM O=C(N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)c1coc(C(F)F)c1 ZINC001571294253 946130177 /nfs/dbraw/zinc/13/01/77/946130177.db2.gz CJGGVTWXFWLLCX-SNVBAGLBSA-N -1 1 390.354 1.586 20 0 GDADMM O=C(N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)c1coc(C(F)F)c1 ZINC001571294253 946130186 /nfs/dbraw/zinc/13/01/86/946130186.db2.gz CJGGVTWXFWLLCX-SNVBAGLBSA-N -1 1 390.354 1.586 20 0 GDADMM O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccnc(-c3nn[n-]n3)n1)C2)C1CC(F)(F)C1 ZINC001571294891 946147832 /nfs/dbraw/zinc/14/78/32/946147832.db2.gz PGCDQPDKYYLBCQ-WCQGTBRESA-N -1 1 390.398 1.176 20 0 GDADMM O=C([C@@H]1C[C@H]1c1ccccc1)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001571297813 946197382 /nfs/dbraw/zinc/19/73/82/946197382.db2.gz AHLMIGHQDBBRGS-JKSUJKDBSA-N -1 1 390.451 1.863 20 0 GDADMM O=C([C@@H]1C[C@H]1c1ccccc1)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001571297813 946197392 /nfs/dbraw/zinc/19/73/92/946197392.db2.gz AHLMIGHQDBBRGS-JKSUJKDBSA-N -1 1 390.451 1.863 20 0 GDADMM O=C(c1ccc2c(c1)CCC2)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571298287 946210794 /nfs/dbraw/zinc/21/07/94/946210794.db2.gz MMNMQUOFMZUYJE-UHFFFAOYSA-N -1 1 390.451 1.498 20 0 GDADMM O=C(c1ccc2c(c1)CCC2)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571298287 946210799 /nfs/dbraw/zinc/21/07/99/946210799.db2.gz MMNMQUOFMZUYJE-UHFFFAOYSA-N -1 1 390.451 1.498 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1CNC(=O)[C@@H]1Cc2ccccc21 ZINC001571298338 946213559 /nfs/dbraw/zinc/21/35/59/946213559.db2.gz DZNXQKPRSMFMEF-XNRPHZJLSA-N -1 1 390.451 1.185 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1CNC(=O)[C@@H]1Cc2ccccc21 ZINC001571298338 946213569 /nfs/dbraw/zinc/21/35/69/946213569.db2.gz DZNXQKPRSMFMEF-XNRPHZJLSA-N -1 1 390.451 1.185 20 0 GDADMM O=C(N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)[C@H]1CCc2ccccc2C1 ZINC001571299195 946243657 /nfs/dbraw/zinc/24/36/57/946243657.db2.gz USSARNOLKBZGRQ-JKSUJKDBSA-N -1 1 390.451 1.157 20 0 GDADMM O=C(N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)[C@H]1CCc2ccccc2C1 ZINC001571299195 946243674 /nfs/dbraw/zinc/24/36/74/946243674.db2.gz USSARNOLKBZGRQ-JKSUJKDBSA-N -1 1 390.451 1.157 20 0 GDADMM Cc1cccc([C@@H]2C[C@H]2C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571299428 946252239 /nfs/dbraw/zinc/25/22/39/946252239.db2.gz QXQZHOFVGZDNEX-HRCADAONSA-N -1 1 390.451 1.204 20 0 GDADMM C[C@]1(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C[C@@H]1c1ccccc1 ZINC001571299777 946262365 /nfs/dbraw/zinc/26/23/65/946262365.db2.gz UQZGGELXDBVIGT-MDOVXXIYSA-N -1 1 390.451 1.545 20 0 GDADMM COc1ccc(NC(=O)NCc2cc(F)c(-c3nnn[n-]3)c(F)c2)c(OC)n1 ZINC001571301722 946281056 /nfs/dbraw/zinc/28/10/56/946281056.db2.gz BASBAJLIXSFMGK-UHFFFAOYSA-N -1 1 391.338 1.879 20 0 GDADMM COc1ccc(NC(=O)NCc2cc(F)c(-c3nn[n-]n3)c(F)c2)c(OC)n1 ZINC001571301722 946281068 /nfs/dbraw/zinc/28/10/68/946281068.db2.gz BASBAJLIXSFMGK-UHFFFAOYSA-N -1 1 391.338 1.879 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@H]3[C@@H]2CCN3c2ccc(-c3nnn[n-]3)nn2)ccn1 ZINC001571302567 946306685 /nfs/dbraw/zinc/30/66/85/946306685.db2.gz BQWAHXUTUFSFLR-HOTGVXAUSA-N -1 1 391.439 1.244 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@H]3[C@@H]2CCN3c2ccc(-c3nn[n-]n3)nn2)ccn1 ZINC001571302567 946306695 /nfs/dbraw/zinc/30/66/95/946306695.db2.gz BQWAHXUTUFSFLR-HOTGVXAUSA-N -1 1 391.439 1.244 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@@H]3[C@@H](CCN3c3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571302821 946316017 /nfs/dbraw/zinc/31/60/17/946316017.db2.gz GPPMCKFXPOFJLQ-DZGCQCFKSA-N -1 1 391.439 1.101 20 0 GDADMM CC(=O)NC1CCC(N(C)c2nnc(C)n2Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC001573496225 946322570 /nfs/dbraw/zinc/32/25/70/946322570.db2.gz XJJLCWSTMNZIIO-UHFFFAOYSA-N -1 1 399.459 1.291 20 0 GDADMM CC(=O)NC1CCC(N(C)c2nnc(C)n2Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC001573496225 946322578 /nfs/dbraw/zinc/32/25/78/946322578.db2.gz XJJLCWSTMNZIIO-UHFFFAOYSA-N -1 1 399.459 1.291 20 0 GDADMM CC(=O)NC1CCC(N(C)C(=O)NCc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001573496388 946323460 /nfs/dbraw/zinc/32/34/60/946323460.db2.gz ZIGWZKYEJJPDEG-UHFFFAOYSA-N -1 1 377.474 1.517 20 0 GDADMM Cc1cccc(C(=O)N[C@H]2CC23CCN(c2cncc(-c4nnn[n-]4)n2)CC3)n1 ZINC001571303353 946334216 /nfs/dbraw/zinc/33/42/16/946334216.db2.gz PBQQSGLLRVXHJB-HNNXBMFYSA-N -1 1 391.439 1.149 20 0 GDADMM Cc1cccc(C(=O)N[C@H]2CC23CCN(c2cncc(-c4nn[n-]n4)n2)CC3)n1 ZINC001571303353 946334229 /nfs/dbraw/zinc/33/42/29/946334229.db2.gz PBQQSGLLRVXHJB-HNNXBMFYSA-N -1 1 391.439 1.149 20 0 GDADMM O=C(c1cccnc1C1CC1)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571303831 946349413 /nfs/dbraw/zinc/34/94/13/946349413.db2.gz YXIPTXJFQCRCHQ-CYBMUJFWSA-N -1 1 391.439 1.646 20 0 GDADMM O=C(c1cccnc1C1CC1)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571303831 946349423 /nfs/dbraw/zinc/34/94/23/946349423.db2.gz YXIPTXJFQCRCHQ-CYBMUJFWSA-N -1 1 391.439 1.646 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC3(C[C@H]3NC(=O)c3ccccn3)CC2)n1 ZINC001571303982 946354670 /nfs/dbraw/zinc/35/46/70/946354670.db2.gz UFYWJOHILRAMTE-OAHLLOKOSA-N -1 1 391.439 1.149 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC3(C[C@H]3NC(=O)c3ccccn3)CC2)n1 ZINC001571303982 946354679 /nfs/dbraw/zinc/35/46/79/946354679.db2.gz UFYWJOHILRAMTE-OAHLLOKOSA-N -1 1 391.439 1.149 20 0 GDADMM Cc1nsc(N2CCCC[C@H]2CNC(=O)c2cnns2)c1-c1nn[n-]n1 ZINC001571305540 946368294 /nfs/dbraw/zinc/36/82/94/946368294.db2.gz DSMJHIVROASPEG-VIFPVBQESA-N -1 1 391.486 1.272 20 0 GDADMM CCN(C(=O)C1CC(OC)C1)[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571305680 946371609 /nfs/dbraw/zinc/37/16/09/946371609.db2.gz JDASXWYEXBWIDP-OTTFEQOBSA-N -1 1 391.501 1.484 20 0 GDADMM Cc1nsc(N[C@H]2CCCCCN(C(=O)[C@H]3CCCO3)C2)c1-c1nn[n-]n1 ZINC001571305835 946377983 /nfs/dbraw/zinc/37/79/83/946377983.db2.gz LLRZZDLWJVMKEU-QWHCGFSZSA-N -1 1 391.501 1.994 20 0 GDADMM C[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CN1C(=O)c1scnc1Cl ZINC001571305839 946379786 /nfs/dbraw/zinc/37/97/86/946379786.db2.gz LMBMLMVNCYGUCA-SFYZADRCSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CN1C(=O)c1scnc1Cl ZINC001571305839 946379797 /nfs/dbraw/zinc/37/97/97/946379797.db2.gz LMBMLMVNCYGUCA-SFYZADRCSA-N -1 1 391.848 1.482 20 0 GDADMM Cc1nsc(NC[C@H]2CCN(C(=O)CC[C@H]3CCOC3)C2)c1-c1nn[n-]n1 ZINC001571306076 946387190 /nfs/dbraw/zinc/38/71/90/946387190.db2.gz PCLCENHIKRWSRY-QWHCGFSZSA-N -1 1 391.501 1.709 20 0 GDADMM Cc1nsc(N[C@H]2CCCN(C(=O)C[C@H]3CCCOC3)C2)c1-c1nn[n-]n1 ZINC001571306237 946393758 /nfs/dbraw/zinc/39/37/58/946393758.db2.gz QZMOMVIGNCJFKF-OLZOCXBDSA-N -1 1 391.501 1.851 20 0 GDADMM Cc1nsc(N2CCO[C@H](CNC(=O)[C@@H]3CCC3(C)C)C2)c1-c1nn[n-]n1 ZINC001571306316 946396000 /nfs/dbraw/zinc/39/60/00/946396000.db2.gz SPAXECLZZOHXEH-NEPJUHHUSA-N -1 1 391.501 1.389 20 0 GDADMM C[C@@H]1CN(C(=O)c2cncnc2)C[C@H]1Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001571306367 946398649 /nfs/dbraw/zinc/39/86/49/946398649.db2.gz UJBUMSOWDQTXPM-VXNVDRBHSA-N -1 1 391.848 1.339 20 0 GDADMM C[C@@H]1CN(C(=O)c2cncnc2)C[C@H]1Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001571306367 946398659 /nfs/dbraw/zinc/39/86/59/946398659.db2.gz UJBUMSOWDQTXPM-VXNVDRBHSA-N -1 1 391.848 1.339 20 0 GDADMM CC[C@@H](OC)C(=O)N1CCC[C@H]2CN(c3snc(C)c3-c3nn[n-]n3)C[C@H]21 ZINC001571306704 946407185 /nfs/dbraw/zinc/40/71/85/946407185.db2.gz ZUPPGLMTNPHHNU-YNEHKIRRSA-N -1 1 391.501 1.484 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC(C)(C)[C@H](O)C(F)(F)F)cc1-c1nn[n-]n1 ZINC001571307245 946419960 /nfs/dbraw/zinc/41/99/60/946419960.db2.gz AUSGNUVEVPELPO-NSHDSACASA-N -1 1 392.363 1.121 20 0 GDADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001571307253 946420800 /nfs/dbraw/zinc/42/08/00/946420800.db2.gz BBFKSCXABYVCAL-VXGBXAGGSA-N -1 1 392.414 1.519 20 0 GDADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001571307253 946420806 /nfs/dbraw/zinc/42/08/06/946420806.db2.gz BBFKSCXABYVCAL-VXGBXAGGSA-N -1 1 392.414 1.519 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571307578 946424656 /nfs/dbraw/zinc/42/46/56/946424656.db2.gz FNOFJTIGHDRQNV-GHMZBOCLSA-N -1 1 392.414 1.020 20 0 GDADMM CCc1nc(N[C@H]2C[C@H](CNC(=O)[C@H]3C[C@@H]3C(F)F)C2)cc(-c2nnn[n-]2)n1 ZINC001571308086 946429576 /nfs/dbraw/zinc/42/95/76/946429576.db2.gz LYZGDUAQWPRNFQ-NAKRPEOUSA-N -1 1 392.414 1.427 20 0 GDADMM CCc1nc(N[C@H]2C[C@H](CNC(=O)[C@H]3C[C@@H]3C(F)F)C2)cc(-c2nn[n-]n2)n1 ZINC001571308086 946429584 /nfs/dbraw/zinc/42/95/84/946429584.db2.gz LYZGDUAQWPRNFQ-NAKRPEOUSA-N -1 1 392.414 1.427 20 0 GDADMM O=C(c1sccc1C(F)F)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571308586 946435829 /nfs/dbraw/zinc/43/58/29/946435829.db2.gz RTMGDXSAOXXEBY-QMMMGPOBSA-N -1 1 392.395 1.982 20 0 GDADMM O=C(c1sccc1C(F)F)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571308586 946435836 /nfs/dbraw/zinc/43/58/36/946435836.db2.gz RTMGDXSAOXXEBY-QMMMGPOBSA-N -1 1 392.395 1.982 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1NC(=O)C[C@@H]1CCC(F)(F)C1 ZINC001571308608 946435888 /nfs/dbraw/zinc/43/58/88/946435888.db2.gz SHXUHDUWRVGTAO-GRYCIOLGSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1NC(=O)C[C@@H]1CCC(F)(F)C1 ZINC001571308608 946435895 /nfs/dbraw/zinc/43/58/95/946435895.db2.gz SHXUHDUWRVGTAO-GRYCIOLGSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@H]1Cc2cccc(C(=O)N3CC[C@@H](Nc4nccnc4-c4nnn[n-]4)C3)c2O1 ZINC001571309509 946446598 /nfs/dbraw/zinc/44/65/98/946446598.db2.gz CBLDYKMVVBTHCZ-WCQYABFASA-N -1 1 392.423 1.307 20 0 GDADMM C[C@H]1Cc2cccc(C(=O)N3CC[C@@H](Nc4nccnc4-c4nn[n-]n4)C3)c2O1 ZINC001571309509 946446602 /nfs/dbraw/zinc/44/66/02/946446602.db2.gz CBLDYKMVVBTHCZ-WCQYABFASA-N -1 1 392.423 1.307 20 0 GDADMM O=C(C[C@H]1CCCC1(F)F)N1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571309560 946447103 /nfs/dbraw/zinc/44/71/03/946447103.db2.gz DFDAXYUXUFXLCO-VXGBXAGGSA-N -1 1 392.414 1.743 20 0 GDADMM O=C(C[C@H]1CCCC1(F)F)N1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571309560 946447112 /nfs/dbraw/zinc/44/71/12/946447112.db2.gz DFDAXYUXUFXLCO-VXGBXAGGSA-N -1 1 392.414 1.743 20 0 GDADMM O=C([C@H]1C[C@@H]1C(F)F)N1CCCCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571309870 946454582 /nfs/dbraw/zinc/45/45/82/946454582.db2.gz NOLZTFAXVXLGOW-WOPDTQHZSA-N -1 1 392.414 1.741 20 0 GDADMM O=C([C@H]1C[C@@H]1C(F)F)N1CCCCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571309870 946454587 /nfs/dbraw/zinc/45/45/87/946454587.db2.gz NOLZTFAXVXLGOW-WOPDTQHZSA-N -1 1 392.414 1.741 20 0 GDADMM CC(C)Cc1ccc(C(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001571311427 946487660 /nfs/dbraw/zinc/48/76/60/946487660.db2.gz XGGKVQSETYXMIK-MRXNPFEDSA-N -1 1 392.467 1.864 20 0 GDADMM CC(C)Cc1ccc(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001571311427 946487665 /nfs/dbraw/zinc/48/76/65/946487665.db2.gz XGGKVQSETYXMIK-MRXNPFEDSA-N -1 1 392.467 1.864 20 0 GDADMM CC1(C)C[C@@H]1C(=O)NCc1ccc(CCNc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001571313526 946526401 /nfs/dbraw/zinc/52/64/01/946526401.db2.gz QUYRJVNGCVDYEX-OAHLLOKOSA-N -1 1 392.467 1.974 20 0 GDADMM CC1(C)C[C@@H]1C(=O)NCc1ccc(CCNc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001571313526 946526404 /nfs/dbraw/zinc/52/64/04/946526404.db2.gz QUYRJVNGCVDYEX-OAHLLOKOSA-N -1 1 392.467 1.974 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)[C@@H](C)C2)cc1 ZINC001571314743 946542972 /nfs/dbraw/zinc/54/29/72/946542972.db2.gz BXACNZDBIXZKKX-GOEBONIOSA-N -1 1 392.467 1.857 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)[C@@H](C)C2)cc1 ZINC001571314743 946542980 /nfs/dbraw/zinc/54/29/80/946542980.db2.gz BXACNZDBIXZKKX-GOEBONIOSA-N -1 1 392.467 1.857 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@](C)(CNc3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001571314762 946545239 /nfs/dbraw/zinc/54/52/39/946545239.db2.gz CFZANIAQHMTEGR-HXUWFJFHSA-N -1 1 392.467 1.858 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@](C)(CNc3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001571314762 946545247 /nfs/dbraw/zinc/54/52/47/946545247.db2.gz CFZANIAQHMTEGR-HXUWFJFHSA-N -1 1 392.467 1.858 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC2CC(N(C)C(=O)Cc3ccccc3C)C2)n1 ZINC001571315455 946552108 /nfs/dbraw/zinc/55/21/08/946552108.db2.gz LGVDZMGFTYPWRJ-UHFFFAOYSA-N -1 1 392.467 1.918 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC2CC(N(C)C(=O)Cc3ccccc3C)C2)n1 ZINC001571315455 946552113 /nfs/dbraw/zinc/55/21/13/946552113.db2.gz LGVDZMGFTYPWRJ-UHFFFAOYSA-N -1 1 392.467 1.918 20 0 GDADMM Cc1ccccc1CCC(=O)N1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001571316422 946576509 /nfs/dbraw/zinc/57/65/09/946576509.db2.gz CEIRMILJHQCUIF-ZBFHGGJFSA-N -1 1 392.467 1.999 20 0 GDADMM Cc1ccccc1CCC(=O)N1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001571316422 946576517 /nfs/dbraw/zinc/57/65/17/946576517.db2.gz CEIRMILJHQCUIF-ZBFHGGJFSA-N -1 1 392.467 1.999 20 0 GDADMM Cc1nocc1C(=O)N1C[C@@H]2C[C@H]1CN2c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001571317918 946624598 /nfs/dbraw/zinc/62/45/98/946624598.db2.gz YMFQAXMATFKNIP-YUMQZZPRSA-N -1 1 392.832 1.376 20 0 GDADMM Cc1nocc1C(=O)N1C[C@@H]2C[C@H]1CN2c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001571317918 946624603 /nfs/dbraw/zinc/62/46/03/946624603.db2.gz YMFQAXMATFKNIP-YUMQZZPRSA-N -1 1 392.832 1.376 20 0 GDADMM C[C@@H](CCO)C1(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCC1 ZINC000824407884 946693266 /nfs/dbraw/zinc/69/32/66/946693266.db2.gz ZWNAUCRNXRDCSF-NSHDSACASA-N -1 1 399.904 1.987 20 0 GDADMM C[C@@H](CCO)C1(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCC1 ZINC000824407884 946693274 /nfs/dbraw/zinc/69/32/74/946693274.db2.gz ZWNAUCRNXRDCSF-NSHDSACASA-N -1 1 399.904 1.987 20 0 GDADMM CC(=O)Nc1cccc([C@@H](C)NC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)c1 ZINC001573546977 946823036 /nfs/dbraw/zinc/82/30/36/946823036.db2.gz SPDBISPFGYVIIC-SNVBAGLBSA-N -1 1 381.396 1.725 20 0 GDADMM CCOC(=O)COc1cccc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)c1 ZINC000825518215 947211187 /nfs/dbraw/zinc/21/11/87/947211187.db2.gz VCWBQAJJJOVSAX-UHFFFAOYSA-N -1 1 386.368 1.286 20 0 GDADMM CCOC(=O)COc1cccc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)c1 ZINC000825518215 947211199 /nfs/dbraw/zinc/21/11/99/947211199.db2.gz VCWBQAJJJOVSAX-UHFFFAOYSA-N -1 1 386.368 1.286 20 0 GDADMM C=C/C(C)=C\CC(=O)N1CC[C@@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001573318844 947315574 /nfs/dbraw/zinc/31/55/74/947315574.db2.gz SDQVUFUZQWPNSO-LJNMVULZSA-N -1 1 380.456 1.608 20 0 GDADMM C=C/C(C)=C\CC(=O)N1CC[C@@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001573318844 947315588 /nfs/dbraw/zinc/31/55/88/947315588.db2.gz SDQVUFUZQWPNSO-LJNMVULZSA-N -1 1 380.456 1.608 20 0 GDADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1cnc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001573592341 947336735 /nfs/dbraw/zinc/33/67/35/947336735.db2.gz JKIBDHINISLJRM-LBPRGKRZSA-N -1 1 384.448 1.011 20 0 GDADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1cnc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001573592341 947336745 /nfs/dbraw/zinc/33/67/45/947336745.db2.gz JKIBDHINISLJRM-LBPRGKRZSA-N -1 1 384.448 1.011 20 0 GDADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1ccc(-c2nnn[n-]2)nn1)C(F)(F)F ZINC001573592957 947354389 /nfs/dbraw/zinc/35/43/89/947354389.db2.gz OQTMGAQZBFJRMF-VIFPVBQESA-N -1 1 386.382 1.752 20 0 GDADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1ccc(-c2nn[n-]n2)nn1)C(F)(F)F ZINC001573592957 947354403 /nfs/dbraw/zinc/35/44/03/947354403.db2.gz OQTMGAQZBFJRMF-VIFPVBQESA-N -1 1 386.382 1.752 20 0 GDADMM C[C@@H](C(=O)N(C)C1CCN(c2nccnc2-c2nnn[n-]2)CC1)C1CCCC1 ZINC001573593023 947358687 /nfs/dbraw/zinc/35/86/87/947358687.db2.gz PNERGZSLHXKBGB-CYBMUJFWSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](C(=O)N(C)C1CCN(c2nccnc2-c2nn[n-]n2)CC1)C1CCCC1 ZINC001573593023 947358701 /nfs/dbraw/zinc/35/87/01/947358701.db2.gz PNERGZSLHXKBGB-CYBMUJFWSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](C(=O)N(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)C1CCCC1 ZINC001573593005 947358912 /nfs/dbraw/zinc/35/89/12/947358912.db2.gz HNIXWFRLTWDXMY-DOMZBBRYSA-N -1 1 384.488 1.554 20 0 GDADMM C[C@H](C(=O)N(C)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C(C)(F)F ZINC001573593149 947363489 /nfs/dbraw/zinc/36/34/89/947363489.db2.gz QRFMRAKBUFZFIG-SNVBAGLBSA-N -1 1 380.403 1.375 20 0 GDADMM C[C@H](C(=O)N(C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C(C)(F)F ZINC001573593149 947363497 /nfs/dbraw/zinc/36/34/97/947363497.db2.gz QRFMRAKBUFZFIG-SNVBAGLBSA-N -1 1 380.403 1.375 20 0 GDADMM C[C@H](C(=O)N(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)c1ccco1 ZINC001573594533 947399770 /nfs/dbraw/zinc/39/97/70/947399770.db2.gz PQANDWLUPNFMTM-FZMZJTMJSA-N -1 1 382.428 1.702 20 0 GDADMM C[C@H](C(=O)N(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)c1ccco1 ZINC001573594533 947399778 /nfs/dbraw/zinc/39/97/78/947399778.db2.gz PQANDWLUPNFMTM-FZMZJTMJSA-N -1 1 382.428 1.702 20 0 GDADMM COC(=O)[C@@H](CNC(=O)Cc1noc(C)c1-c1nnn[n-]1)Cc1cccc(C)c1 ZINC000826102948 947427939 /nfs/dbraw/zinc/42/79/39/947427939.db2.gz BCUDWSWFFFHSOS-CQSZACIVSA-N -1 1 398.423 1.162 20 0 GDADMM COC(=O)[C@@H](CNC(=O)Cc1noc(C)c1-c1nn[n-]n1)Cc1cccc(C)c1 ZINC000826102948 947427950 /nfs/dbraw/zinc/42/79/50/947427950.db2.gz BCUDWSWFFFHSOS-CQSZACIVSA-N -1 1 398.423 1.162 20 0 GDADMM COC(=O)[C@@H](CNC(=O)Cc1noc(C)c1-c1nnn[n-]1)c1ccc(C)cc1 ZINC000826103477 947429473 /nfs/dbraw/zinc/42/94/73/947429473.db2.gz HQKITCPINJKWFJ-ZDUSSCGKSA-N -1 1 384.396 1.087 20 0 GDADMM COC(=O)[C@@H](CNC(=O)Cc1noc(C)c1-c1nn[n-]n1)c1ccc(C)cc1 ZINC000826103477 947429478 /nfs/dbraw/zinc/42/94/78/947429478.db2.gz HQKITCPINJKWFJ-ZDUSSCGKSA-N -1 1 384.396 1.087 20 0 GDADMM C[C@H](C(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C(C)(C)C1)C(F)(F)F ZINC001573614299 947581608 /nfs/dbraw/zinc/58/16/08/947581608.db2.gz LOTRFNKJJNCJHP-SCZZXKLOSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@H](C(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C(C)(C)C1)C(F)(F)F ZINC001573614299 947581620 /nfs/dbraw/zinc/58/16/20/947581620.db2.gz LOTRFNKJJNCJHP-SCZZXKLOSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@@H](C(=O)N1CC[C@](C)(CNc2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001573615082 947598474 /nfs/dbraw/zinc/59/84/74/947598474.db2.gz QMCKIHQLVHMECP-SCLBCKFNSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@@H](C(=O)N1CC[C@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001573615082 947598482 /nfs/dbraw/zinc/59/84/82/947598482.db2.gz QMCKIHQLVHMECP-SCLBCKFNSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)c1cccs1 ZINC001573615631 947609247 /nfs/dbraw/zinc/60/92/47/947609247.db2.gz FCQKLUXBNGPPBA-NEPJUHHUSA-N -1 1 384.469 1.782 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)c1cccs1 ZINC001573615631 947609252 /nfs/dbraw/zinc/60/92/52/947609252.db2.gz FCQKLUXBNGPPBA-NEPJUHHUSA-N -1 1 384.469 1.782 20 0 GDADMM C[C@H](C(=O)N1CCC(CNc2nccnc2-c2nnn[n-]2)CC1)c1ccco1 ZINC001573617798 947641456 /nfs/dbraw/zinc/64/14/56/947641456.db2.gz MZECGAGTSRNRDN-LBPRGKRZSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@H](C(=O)N1CCC(CNc2nccnc2-c2nn[n-]n2)CC1)c1ccco1 ZINC001573617798 947641462 /nfs/dbraw/zinc/64/14/62/947641462.db2.gz MZECGAGTSRNRDN-LBPRGKRZSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1)c1ccsc1 ZINC001573619677 947669446 /nfs/dbraw/zinc/66/94/46/947669446.db2.gz XEHAASSJMMUDRF-WCQYABFASA-N -1 1 384.469 1.559 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1)c1ccsc1 ZINC001573619677 947669454 /nfs/dbraw/zinc/66/94/54/947669454.db2.gz XEHAASSJMMUDRF-WCQYABFASA-N -1 1 384.469 1.559 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1)c1ccsc1 ZINC001573619679 947670562 /nfs/dbraw/zinc/67/05/62/947670562.db2.gz XEHAASSJMMUDRF-YPMHNXCESA-N -1 1 384.469 1.559 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1)c1ccsc1 ZINC001573619679 947670568 /nfs/dbraw/zinc/67/05/68/947670568.db2.gz XEHAASSJMMUDRF-YPMHNXCESA-N -1 1 384.469 1.559 20 0 GDADMM C[C@@H](C(=O)N1CCC(C)(Nc2ccc(-c3nnn[n-]3)nn2)CC1)C(F)(F)F ZINC001573620350 947679346 /nfs/dbraw/zinc/67/93/46/947679346.db2.gz ZQFVDVYJHSFROP-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](C(=O)N1CCC(C)(Nc2ccc(-c3nn[n-]n3)nn2)CC1)C(F)(F)F ZINC001573620350 947679351 /nfs/dbraw/zinc/67/93/51/947679351.db2.gz ZQFVDVYJHSFROP-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](C(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1)c1cccnc1 ZINC001573622907 947684286 /nfs/dbraw/zinc/68/42/86/947684286.db2.gz CLGWAFRPSJVUMN-LBPRGKRZSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@H](C(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1)c1cccnc1 ZINC001573622907 947684294 /nfs/dbraw/zinc/68/42/94/947684294.db2.gz CLGWAFRPSJVUMN-LBPRGKRZSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cccc(F)c1 ZINC001573625923 947703723 /nfs/dbraw/zinc/70/37/23/947703723.db2.gz QFUVWFGEKARPKO-FZMZJTMJSA-N -1 1 382.403 1.612 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cccc(F)c1 ZINC001573625923 947703730 /nfs/dbraw/zinc/70/37/30/947703730.db2.gz QFUVWFGEKARPKO-FZMZJTMJSA-N -1 1 382.403 1.612 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)c1ccsc1 ZINC001573627434 947723872 /nfs/dbraw/zinc/72/38/72/947723872.db2.gz BHOIHWMMDUEXEU-WCQYABFASA-N -1 1 384.469 1.347 20 0 GDADMM Cc1csc(C(=O)[O-])c1S(=O)(=O)Nc1ccc(C(=O)NCCO)cc1 ZINC000327796274 971425684 /nfs/dbraw/zinc/42/56/84/971425684.db2.gz SVJRCDOWURKYJD-UHFFFAOYSA-N -1 1 384.435 1.278 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](c2c[nH]c3ncccc23)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001573628046 947743235 /nfs/dbraw/zinc/74/32/35/947743235.db2.gz HRANHNIRNWCWKY-NWDGAFQWSA-N -1 1 392.427 1.302 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1)C(C)(F)F ZINC001573628009 947743756 /nfs/dbraw/zinc/74/37/56/947743756.db2.gz FBKKHBRNUWSCSF-WDEREUQCSA-N -1 1 380.403 1.375 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1)C(C)(F)F ZINC001573628009 947743766 /nfs/dbraw/zinc/74/37/66/947743766.db2.gz FBKKHBRNUWSCSF-WDEREUQCSA-N -1 1 380.403 1.375 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1)C(C)(F)F ZINC001573628132 947746074 /nfs/dbraw/zinc/74/60/74/947746074.db2.gz FLMUGRMZFRVMES-QWRGUYRKSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1)C(C)(F)F ZINC001573628132 947746080 /nfs/dbraw/zinc/74/60/80/947746080.db2.gz FLMUGRMZFRVMES-QWRGUYRKSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H](C(=O)N1CC[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1)C(C)(F)F ZINC001573629019 947769812 /nfs/dbraw/zinc/76/98/12/947769812.db2.gz LNYWJFSTHYQYRF-GTNSWQLSSA-N -1 1 392.414 1.377 20 0 GDADMM C[C@@H](C(=O)N1CC[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1)C(C)(F)F ZINC001573629019 947769815 /nfs/dbraw/zinc/76/98/15/947769815.db2.gz LNYWJFSTHYQYRF-GTNSWQLSSA-N -1 1 392.414 1.377 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1nccnc1-c1nnn[n-]1)c1ccco1 ZINC001573628956 947769850 /nfs/dbraw/zinc/76/98/50/947769850.db2.gz PJRWNEJGHUZYRM-CHWSQXEVSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1nccnc1-c1nn[n-]n1)c1ccco1 ZINC001573628956 947769852 /nfs/dbraw/zinc/76/98/52/947769852.db2.gz PJRWNEJGHUZYRM-CHWSQXEVSA-N -1 1 382.428 1.481 20 0 GDADMM CC(=O)CCCC(=O)N1C[C@H](C)[C@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573369272 947772374 /nfs/dbraw/zinc/77/23/74/947772374.db2.gz SNQUFURSMXKSIO-SMDDNHRTSA-N -1 1 386.460 1.231 20 0 GDADMM CC(=O)CCCC(=O)N1C[C@H](C)[C@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573369272 947772383 /nfs/dbraw/zinc/77/23/83/947772383.db2.gz SNQUFURSMXKSIO-SMDDNHRTSA-N -1 1 386.460 1.231 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](CN(C)c2ccnc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573629250 947775908 /nfs/dbraw/zinc/77/59/08/947775908.db2.gz MZDSLIGLDQSLKH-UONOGXRCSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@](CO)(Nc2cnc(-c3nnn[n-]3)cn2)C1)C(C)(C)C ZINC001573629654 947781103 /nfs/dbraw/zinc/78/11/03/947781103.db2.gz OVYHVPCJMRDRGN-SGTLLEGYSA-N -1 1 388.476 1.104 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@](CO)(Nc2cnc(-c3nn[n-]n3)cn2)C1)C(C)(C)C ZINC001573629654 947781109 /nfs/dbraw/zinc/78/11/09/947781109.db2.gz OVYHVPCJMRDRGN-SGTLLEGYSA-N -1 1 388.476 1.104 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001573631751 947803756 /nfs/dbraw/zinc/80/37/56/947803756.db2.gz WJKBRUGOFWTMDL-KGLIPLIRSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001573631751 947803762 /nfs/dbraw/zinc/80/37/62/947803762.db2.gz WJKBRUGOFWTMDL-KGLIPLIRSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@@H](C(=O)N1CCCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1)C(C)(C)C ZINC001573637394 947812875 /nfs/dbraw/zinc/81/28/75/947812875.db2.gz BMTYALMCMIKMKJ-QWHCGFSZSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@@H](C(=O)N1CCCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1)C(C)(C)C ZINC001573637394 947812886 /nfs/dbraw/zinc/81/28/86/947812886.db2.gz BMTYALMCMIKMKJ-QWHCGFSZSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001573637492 947815626 /nfs/dbraw/zinc/81/56/26/947815626.db2.gz GIRBPSNOIGNIMR-ZJUUUORDSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573637492 947815633 /nfs/dbraw/zinc/81/56/33/947815633.db2.gz GIRBPSNOIGNIMR-ZJUUUORDSA-N -1 1 384.366 1.648 20 0 GDADMM CC(=O)CCCC(=O)NC1CC2(C1)CC(Nc1cnc(-c3nnn[n-]3)cn1)C2 ZINC001573375589 947821587 /nfs/dbraw/zinc/82/15/87/947821587.db2.gz OODHNJBKNHVHHT-UHFFFAOYSA-N -1 1 384.444 1.255 20 0 GDADMM CC(=O)CCCC(=O)NC1CC2(C1)CC(Nc1cnc(-c3nn[n-]n3)cn1)C2 ZINC001573375589 947821590 /nfs/dbraw/zinc/82/15/90/947821590.db2.gz OODHNJBKNHVHHT-UHFFFAOYSA-N -1 1 384.444 1.255 20 0 GDADMM CC(=O)CCCC(=O)NC[C@@]1(C)CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573381454 947874783 /nfs/dbraw/zinc/87/47/83/947874783.db2.gz VSSKBASWSFIIDI-GOSISDBHSA-N -1 1 386.460 1.139 20 0 GDADMM CC(=O)CCCC(=O)NC[C@@]1(C)CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573381454 947874789 /nfs/dbraw/zinc/87/47/89/947874789.db2.gz VSSKBASWSFIIDI-GOSISDBHSA-N -1 1 386.460 1.139 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)[C@@H]1C ZINC001573384284 947900900 /nfs/dbraw/zinc/90/09/00/947900900.db2.gz LKBKGEHKUXCQCB-NEPJUHHUSA-N -1 1 377.474 1.474 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C(C)(C)C)C(F)(F)F ZINC001573652090 947928961 /nfs/dbraw/zinc/92/89/61/947928961.db2.gz AVJWLOPWEUQFPK-PSASIEDQSA-N -1 1 386.382 1.798 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C(C)(C)C)C(F)(F)F ZINC001573652090 947928964 /nfs/dbraw/zinc/92/89/64/947928964.db2.gz AVJWLOPWEUQFPK-PSASIEDQSA-N -1 1 386.382 1.798 20 0 GDADMM C[C@@H](C(=O)N[C@@](C)(CNc1nccnc1-c1nnn[n-]1)C1CC1)C(C)(F)F ZINC001573653028 947951878 /nfs/dbraw/zinc/95/18/78/947951878.db2.gz IPVBLVBROACZRM-VFZGTOFNSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@@H](C(=O)N[C@@](C)(CNc1nccnc1-c1nn[n-]n1)C1CC1)C(C)(F)F ZINC001573653028 947951888 /nfs/dbraw/zinc/95/18/88/947951888.db2.gz IPVBLVBROACZRM-VFZGTOFNSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C(C)(C)C)C(C)(F)F ZINC001573655187 947974234 /nfs/dbraw/zinc/97/42/34/947974234.db2.gz WJTWTXYUEKNGSN-NXEZZACHSA-N -1 1 382.419 1.313 20 0 GDADMM Cc1oc(NC(=O)CN2CCO[C@H](Cc3ccccc3)C2)c(-c2nn[n-]n2)c1C ZINC000826341284 947979339 /nfs/dbraw/zinc/97/93/39/947979339.db2.gz CCKNRITUJLUMLA-MRXNPFEDSA-N -1 1 396.451 1.959 20 0 GDADMM Cc1onc(CC(=O)N2CC[C@H](OCCCc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826343556 947993452 /nfs/dbraw/zinc/99/34/52/947993452.db2.gz GAHKMHHSAQSFPP-INIZCTEOSA-N -1 1 396.451 1.956 20 0 GDADMM Cc1onc(CC(=O)N2CC[C@H](OCCCc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826343556 947993457 /nfs/dbraw/zinc/99/34/57/947993457.db2.gz GAHKMHHSAQSFPP-INIZCTEOSA-N -1 1 396.451 1.956 20 0 GDADMM Cc1onc(CC(=O)N2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)c1-c1nnn[n-]1 ZINC000826343713 947994659 /nfs/dbraw/zinc/99/46/59/947994659.db2.gz KXPFYSVUNAIIOM-ZUZCIYMTSA-N -1 1 386.387 1.833 20 0 GDADMM Cc1onc(CC(=O)N2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)c1-c1nn[n-]n1 ZINC000826343713 947994668 /nfs/dbraw/zinc/99/46/68/947994668.db2.gz KXPFYSVUNAIIOM-ZUZCIYMTSA-N -1 1 386.387 1.833 20 0 GDADMM Cc1onc(CC(=O)N(Cc2cccs2)C[C@H]2CCCO2)c1-c1nnn[n-]1 ZINC000826344146 948002277 /nfs/dbraw/zinc/00/22/77/948002277.db2.gz YMJBEGLKDQFEIG-GFCCVEGCSA-N -1 1 388.453 1.975 20 0 GDADMM Cc1onc(CC(=O)N(Cc2cccs2)C[C@H]2CCCO2)c1-c1nn[n-]n1 ZINC000826344146 948002287 /nfs/dbraw/zinc/00/22/87/948002287.db2.gz YMJBEGLKDQFEIG-GFCCVEGCSA-N -1 1 388.453 1.975 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@H]2Cn2cnc3ccccc32)c1-c1nnn[n-]1 ZINC000826344581 948009252 /nfs/dbraw/zinc/00/92/52/948009252.db2.gz LPHLEPLBYJONCU-ZDUSSCGKSA-N -1 1 392.423 1.747 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@H]2Cn2cnc3ccccc32)c1-c1nn[n-]n1 ZINC000826344581 948009261 /nfs/dbraw/zinc/00/92/61/948009261.db2.gz LPHLEPLBYJONCU-ZDUSSCGKSA-N -1 1 392.423 1.747 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@H](c3nnc4ccccn43)C2)c1-c1nnn[n-]1 ZINC000826344901 948015843 /nfs/dbraw/zinc/01/58/43/948015843.db2.gz WDDLKPIJIHDDJO-LBPRGKRZSA-N -1 1 393.411 1.155 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@H](c3nnc4ccccn43)C2)c1-c1nn[n-]n1 ZINC000826344901 948015851 /nfs/dbraw/zinc/01/58/51/948015851.db2.gz WDDLKPIJIHDDJO-LBPRGKRZSA-N -1 1 393.411 1.155 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c1-c1nnn[n-]1 ZINC000826344925 948017402 /nfs/dbraw/zinc/01/74/02/948017402.db2.gz WQYBXRITMIIIJF-CQSZACIVSA-N -1 1 378.396 1.946 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c1-c1nn[n-]n1 ZINC000826344925 948017411 /nfs/dbraw/zinc/01/74/11/948017411.db2.gz WQYBXRITMIIIJF-CQSZACIVSA-N -1 1 378.396 1.946 20 0 GDADMM C[C@H](C(=O)N[C@@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2)C1CCC1 ZINC001573662054 948023752 /nfs/dbraw/zinc/02/37/52/948023752.db2.gz BBFVBHCBNIYWCF-IOHHAYIISA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H](C(=O)N[C@@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2)C1CCC1 ZINC001573662054 948023761 /nfs/dbraw/zinc/02/37/61/948023761.db2.gz BBFVBHCBNIYWCF-IOHHAYIISA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2)C(C)(F)F ZINC001573664056 948046277 /nfs/dbraw/zinc/04/62/77/948046277.db2.gz RMZUTRPWQCPOKO-PWSUYJOCSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2)C(C)(F)F ZINC001573664056 948046285 /nfs/dbraw/zinc/04/62/85/948046285.db2.gz RMZUTRPWQCPOKO-PWSUYJOCSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1)C(C)(F)F ZINC001573664533 948054798 /nfs/dbraw/zinc/05/47/98/948054798.db2.gz FNFPFPIASQKVEK-GHMZBOCLSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1)C(C)(F)F ZINC001573664533 948054805 /nfs/dbraw/zinc/05/48/05/948054805.db2.gz FNFPFPIASQKVEK-GHMZBOCLSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1)c1ccco1 ZINC001573664544 948055188 /nfs/dbraw/zinc/05/51/88/948055188.db2.gz FPJOPEFBGKFHAL-QWHCGFSZSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1)c1ccco1 ZINC001573664544 948055194 /nfs/dbraw/zinc/05/51/94/948055194.db2.gz FPJOPEFBGKFHAL-QWHCGFSZSA-N -1 1 382.428 1.529 20 0 GDADMM Cc1onc(CC(=O)NCCOc2ccccc2C(F)(F)F)c1-c1nnn[n-]1 ZINC000826347540 948056549 /nfs/dbraw/zinc/05/65/49/948056549.db2.gz USUKCACGGCJREF-UHFFFAOYSA-N -1 1 396.329 1.920 20 0 GDADMM Cc1onc(CC(=O)NCCOc2ccccc2C(F)(F)F)c1-c1nn[n-]n1 ZINC000826347540 948056559 /nfs/dbraw/zinc/05/65/59/948056559.db2.gz USUKCACGGCJREF-UHFFFAOYSA-N -1 1 396.329 1.920 20 0 GDADMM Cc1onc(CC(=O)NC[C@@H](O)c2cccc(OC(C)C)c2)c1-c1nnn[n-]1 ZINC000826347539 948056596 /nfs/dbraw/zinc/05/65/96/948056596.db2.gz URTZAQWVLAHKQY-OAHLLOKOSA-N -1 1 386.412 1.343 20 0 GDADMM Cc1onc(CC(=O)NC[C@@H](O)c2cccc(OC(C)C)c2)c1-c1nn[n-]n1 ZINC000826347539 948056604 /nfs/dbraw/zinc/05/66/04/948056604.db2.gz URTZAQWVLAHKQY-OAHLLOKOSA-N -1 1 386.412 1.343 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2)C(C)(F)F ZINC001573664568 948056992 /nfs/dbraw/zinc/05/69/92/948056992.db2.gz FVGHOFQJZSDBCB-QWRGUYRKSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2)C(C)(F)F ZINC001573664568 948056999 /nfs/dbraw/zinc/05/69/99/948056999.db2.gz FVGHOFQJZSDBCB-QWRGUYRKSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@H](C(=O)NC1CC2(C1)CC(Nc1ccc(-c3nnn[n-]3)nn1)C2)C(C)(F)F ZINC001573666206 948081888 /nfs/dbraw/zinc/08/18/88/948081888.db2.gz QRTIGIYCSSCVBG-QGPLQOLKSA-N -1 1 392.414 1.787 20 0 GDADMM C[C@H](C(=O)NC1CC2(C1)CC(Nc1ccc(-c3nn[n-]n3)nn1)C2)C(C)(F)F ZINC001573666206 948081896 /nfs/dbraw/zinc/08/18/96/948081896.db2.gz QRTIGIYCSSCVBG-QGPLQOLKSA-N -1 1 392.414 1.787 20 0 GDADMM CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001573415283 948105310 /nfs/dbraw/zinc/10/53/10/948105310.db2.gz RFDQUXFJKHSBBT-GOSISDBHSA-N -1 1 389.419 1.842 20 0 GDADMM CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001573415283 948105313 /nfs/dbraw/zinc/10/53/13/948105313.db2.gz RFDQUXFJKHSBBT-GOSISDBHSA-N -1 1 389.419 1.842 20 0 GDADMM C[C@H](C(=O)NC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1cccs1 ZINC001573677484 948138671 /nfs/dbraw/zinc/13/86/71/948138671.db2.gz AZKLRAAVALXITM-JQWIXIFHSA-N -1 1 384.469 1.251 20 0 GDADMM Cn1[n-]c(CN(Cc2ccc(-c3nn[nH]n3)cc2)Cc2cccc(F)c2)nc1=O ZINC000826366032 948143518 /nfs/dbraw/zinc/14/35/18/948143518.db2.gz PJYUNQOCMPMXHD-UHFFFAOYSA-N -1 1 394.414 1.630 20 0 GDADMM C[C@@H](C(=O)NC[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1)c1cccs1 ZINC001573678041 948147237 /nfs/dbraw/zinc/14/72/37/948147237.db2.gz CGACCVKYBRGEFL-PWSUYJOCSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)NC[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1)c1cccs1 ZINC001573678041 948147242 /nfs/dbraw/zinc/14/72/42/948147242.db2.gz CGACCVKYBRGEFL-PWSUYJOCSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C)C1CCCC1 ZINC001573678351 948149749 /nfs/dbraw/zinc/14/97/49/948149749.db2.gz HEIDERYNOQCKMS-IUODEOHRSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C)C1CCCC1 ZINC001573678351 948149754 /nfs/dbraw/zinc/14/97/54/948149754.db2.gz HEIDERYNOQCKMS-IUODEOHRSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)NC[C@H](Nc1cncc(-c2nnn[n-]2)n1)c1ccccc1)C1CC1 ZINC001573680155 948173620 /nfs/dbraw/zinc/17/36/20/948173620.db2.gz MFAMMTGRFRRSAV-WFASDCNBSA-N -1 1 378.440 1.972 20 0 GDADMM C[C@H](C(=O)NC[C@H](Nc1cncc(-c2nn[n-]n2)n1)c1ccccc1)C1CC1 ZINC001573680155 948173626 /nfs/dbraw/zinc/17/36/26/948173626.db2.gz MFAMMTGRFRRSAV-WFASDCNBSA-N -1 1 378.440 1.972 20 0 GDADMM C[C@@H](C(=O)NC[C@@H](CO)Nc1nc(-c2nn[n-]n2)c(Cl)s1)C1CCC1 ZINC001573680499 948180529 /nfs/dbraw/zinc/18/05/29/948180529.db2.gz OFKCRNCVFWFZBZ-APPZFPTMSA-N -1 1 385.881 1.302 20 0 GDADMM CC(C)[C@@H](CNC(=O)[C@@H](C)c1ccsc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573680658 948183829 /nfs/dbraw/zinc/18/38/29/948183829.db2.gz PCUZUIIZYPRDOO-WCQYABFASA-N -1 1 386.485 1.497 20 0 GDADMM C[C@H](C(=O)NC[C@@H](O)CNc1nc(-c2nn[n-]n2)c(Cl)s1)C1CCC1 ZINC001573690618 948226912 /nfs/dbraw/zinc/22/69/12/948226912.db2.gz FKRCGBRFJWMZRQ-IONNQARKSA-N -1 1 385.881 1.302 20 0 GDADMM C[C@@H](C(=O)NC[C@@H](O)CNc1snc(Cl)c1-c1nnn[n-]1)C1CCC1 ZINC001573690849 948231521 /nfs/dbraw/zinc/23/15/21/948231521.db2.gz FTRWFUSIYFBBST-VXNVDRBHSA-N -1 1 385.881 1.302 20 0 GDADMM C[C@@H](C(=O)NC[C@@H](O)CNc1snc(Cl)c1-c1nn[n-]n1)C1CCC1 ZINC001573690849 948231531 /nfs/dbraw/zinc/23/15/31/948231531.db2.gz FTRWFUSIYFBBST-VXNVDRBHSA-N -1 1 385.881 1.302 20 0 GDADMM CC(=O)N1CCC([C@@H]2OCC[C@H]2Nc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573438828 948239162 /nfs/dbraw/zinc/23/91/62/948239162.db2.gz FTZFRSGPJBSKGO-OCCSQVGLSA-N -1 1 377.474 1.460 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCOCC1)C1CCC1 ZINC001573692076 948254799 /nfs/dbraw/zinc/25/47/99/948254799.db2.gz LDZMGIOODDBNHC-GFCCVEGCSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCOCC1)C1CCC1 ZINC001573692076 948254807 /nfs/dbraw/zinc/25/48/07/948254807.db2.gz LDZMGIOODDBNHC-GFCCVEGCSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@H](C(=O)NC[C@@H](O)CNc1nc(-c2nn[n-]n2)c(Cl)s1)C(C)(C)C ZINC001573693283 948281609 /nfs/dbraw/zinc/28/16/09/948281609.db2.gz SFDXAFLPOPPHFY-HTQZYQBOSA-N -1 1 387.897 1.548 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCCC1)C(C)(F)F ZINC001573693844 948288542 /nfs/dbraw/zinc/28/85/42/948288542.db2.gz ZUAOILBYQZHOQL-SNVBAGLBSA-N -1 1 380.403 1.211 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)c1cccs1 ZINC001573701897 948340698 /nfs/dbraw/zinc/34/06/98/948340698.db2.gz BNODVMNAJHGYDD-NWDGAFQWSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)c1cccs1 ZINC001573701897 948340706 /nfs/dbraw/zinc/34/07/06/948340706.db2.gz BNODVMNAJHGYDD-NWDGAFQWSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001573703686 948358631 /nfs/dbraw/zinc/35/86/31/948358631.db2.gz MCYKHBSZSISSIG-OLZOCXBDSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001573703686 948358638 /nfs/dbraw/zinc/35/86/38/948358638.db2.gz MCYKHBSZSISSIG-OLZOCXBDSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1)c1ccco1 ZINC001573704207 948367429 /nfs/dbraw/zinc/36/74/29/948367429.db2.gz QNSKJIWDPAJCEE-OLZOCXBDSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1)c1ccco1 ZINC001573704207 948367440 /nfs/dbraw/zinc/36/74/40/948367440.db2.gz QNSKJIWDPAJCEE-OLZOCXBDSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CCCC1 ZINC001573704399 948371689 /nfs/dbraw/zinc/37/16/89/948371689.db2.gz RRRUCDPVUUHUQC-KGLIPLIRSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CCCC1 ZINC001573704399 948371694 /nfs/dbraw/zinc/37/16/94/948371694.db2.gz RRRUCDPVUUHUQC-KGLIPLIRSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001573704929 948386525 /nfs/dbraw/zinc/38/65/25/948386525.db2.gz UVTZBHJPCVHDDU-UONOGXRCSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001573704929 948386528 /nfs/dbraw/zinc/38/65/28/948386528.db2.gz UVTZBHJPCVHDDU-UONOGXRCSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCCO1)C(C)(C)C ZINC001573705229 948396306 /nfs/dbraw/zinc/39/63/06/948396306.db2.gz DNZVFWHKWXDGDU-QWHCGFSZSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCCO1)C(C)(C)C ZINC001573705229 948396318 /nfs/dbraw/zinc/39/63/18/948396318.db2.gz DNZVFWHKWXDGDU-QWHCGFSZSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1)C(C)(F)F ZINC001573705338 948398543 /nfs/dbraw/zinc/39/85/43/948398543.db2.gz WAWSGPHSFFTURH-GHMZBOCLSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1)C(C)(F)F ZINC001573705338 948398553 /nfs/dbraw/zinc/39/85/53/948398553.db2.gz WAWSGPHSFFTURH-GHMZBOCLSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCC(C)(C)CN1c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001573705382 948400775 /nfs/dbraw/zinc/40/07/75/948400775.db2.gz WKHZEFNDNSHHIQ-GXTWGEPZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCC(C)(C)CN1c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001573705382 948400776 /nfs/dbraw/zinc/40/07/76/948400776.db2.gz WKHZEFNDNSHHIQ-GXTWGEPZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)NCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C(F)(F)F ZINC001573706134 948413838 /nfs/dbraw/zinc/41/38/38/948413838.db2.gz JZFIYYKPICKRKJ-SECBINFHSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@H](C(=O)NCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C(F)(F)F ZINC001573706134 948413842 /nfs/dbraw/zinc/41/38/42/948413842.db2.gz JZFIYYKPICKRKJ-SECBINFHSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCCO1)C(C)(C)C ZINC001573707989 948441640 /nfs/dbraw/zinc/44/16/40/948441640.db2.gz QORVYMADYLJSJT-QWHCGFSZSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@H](C(=O)NCC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573715222 948486101 /nfs/dbraw/zinc/48/61/01/948486101.db2.gz RICJTRQASATILD-ZJUUUORDSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1snc(Cl)c1-c1nnn[n-]1)[C@H]1CCCO1 ZINC001573718086 948514246 /nfs/dbraw/zinc/51/42/46/948514246.db2.gz HQFCFMDYPDBTOW-DTWKUNHWSA-N -1 1 385.881 1.344 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1snc(Cl)c1-c1nn[n-]n1)[C@H]1CCCO1 ZINC001573718086 948514254 /nfs/dbraw/zinc/51/42/54/948514254.db2.gz HQFCFMDYPDBTOW-DTWKUNHWSA-N -1 1 385.881 1.344 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1ccnc(-c2nn[n-]n2)n1)c1ccc(Cl)cc1 ZINC001573720971 948535761 /nfs/dbraw/zinc/53/57/61/948535761.db2.gz UCZGGWHTZQRPPV-LLVKDONJSA-N -1 1 386.847 1.666 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1nccnc1-c1nnn[n-]1)c1ccc(F)c(F)c1 ZINC001573720905 948536619 /nfs/dbraw/zinc/53/66/19/948536619.db2.gz SQFDSSXGLWKONJ-SNVBAGLBSA-N -1 1 388.382 1.291 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1nccnc1-c1nn[n-]n1)c1ccc(F)c(F)c1 ZINC001573720905 948536624 /nfs/dbraw/zinc/53/66/24/948536624.db2.gz SQFDSSXGLWKONJ-SNVBAGLBSA-N -1 1 388.382 1.291 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1)c1ccc(F)cc1F ZINC001573721279 948538334 /nfs/dbraw/zinc/53/83/34/948538334.db2.gz WHBKAUZQJLNCRR-JTQLQIEISA-N -1 1 388.382 1.291 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1)c1ccc(F)cc1F ZINC001573721279 948538337 /nfs/dbraw/zinc/53/83/37/948538337.db2.gz WHBKAUZQJLNCRR-JTQLQIEISA-N -1 1 388.382 1.291 20 0 GDADMM C[C@H](C(=O)NCc1ccc2c(c1)CN(c1ccc(-c3nnn[n-]3)nn1)C2)C1CC1 ZINC001573727593 948555763 /nfs/dbraw/zinc/55/57/63/948555763.db2.gz AOJNORSKPBCTEO-LBPRGKRZSA-N -1 1 390.451 1.839 20 0 GDADMM C[C@H](C(=O)NCc1ccc2c(c1)CN(c1ccc(-c3nn[n-]n3)nn1)C2)C1CC1 ZINC001573727593 948555770 /nfs/dbraw/zinc/55/57/70/948555770.db2.gz AOJNORSKPBCTEO-LBPRGKRZSA-N -1 1 390.451 1.839 20 0 GDADMM C[C@H](C(=O)NCc1ccccc1CN(C)c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001573729153 948568315 /nfs/dbraw/zinc/56/83/15/948568315.db2.gz HTDRITNZMVAAAJ-ZDUSSCGKSA-N -1 1 392.467 1.955 20 0 GDADMM C[C@H](C(=O)NCc1ccccc1CN(C)c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001573729153 948568321 /nfs/dbraw/zinc/56/83/21/948568321.db2.gz HTDRITNZMVAAAJ-ZDUSSCGKSA-N -1 1 392.467 1.955 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C)C1CCCC1 ZINC001573729921 948572774 /nfs/dbraw/zinc/57/27/74/948572774.db2.gz WRAYFOLJBDRTAR-UMVBOHGHSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1)n1cccc1 ZINC001573736078 948612359 /nfs/dbraw/zinc/61/23/59/948612359.db2.gz GUKNOZWTBFZHSY-MGPQQGTHSA-N -1 1 381.444 1.559 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1)n1cccc1 ZINC001573736078 948612365 /nfs/dbraw/zinc/61/23/65/948612365.db2.gz GUKNOZWTBFZHSY-MGPQQGTHSA-N -1 1 381.444 1.559 20 0 GDADMM C[C@H](C(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001573739682 948621058 /nfs/dbraw/zinc/62/10/58/948621058.db2.gz GKTTWOAWWHBAQN-LIXBPZJASA-N -1 1 390.451 1.897 20 0 GDADMM C[C@H](C(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001573739682 948621062 /nfs/dbraw/zinc/62/10/62/948621062.db2.gz GKTTWOAWWHBAQN-LIXBPZJASA-N -1 1 390.451 1.897 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)c1ccc(F)cc1F ZINC001573742234 948658786 /nfs/dbraw/zinc/65/87/86/948658786.db2.gz IWMJUAGGWSOWTR-NXEZZACHSA-N -1 1 388.382 1.077 20 0 GDADMM CC(C)c1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nnn[n-]2)cn1 ZINC001574416064 948744950 /nfs/dbraw/zinc/74/49/50/948744950.db2.gz OHQZCJKHPKTPRR-KBPBESRZSA-N -1 1 391.439 1.278 20 0 GDADMM CC(C)c1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nn[n-]n2)cn1 ZINC001574416064 948744959 /nfs/dbraw/zinc/74/49/59/948744959.db2.gz OHQZCJKHPKTPRR-KBPBESRZSA-N -1 1 391.439 1.278 20 0 GDADMM CC(C)[C@H](F)C(=O)N1CC[C@]2(C1)CCCN(c1nccnc1-c1nnn[n-]1)C2 ZINC001574075682 948749416 /nfs/dbraw/zinc/74/94/16/948749416.db2.gz YTOIJDHBYSWAFM-SCLBCKFNSA-N -1 1 388.451 1.470 20 0 GDADMM CC(C)[C@H](F)C(=O)N1CC[C@]2(C1)CCCN(c1nccnc1-c1nn[n-]n1)C2 ZINC001574075682 948749426 /nfs/dbraw/zinc/74/94/26/948749426.db2.gz YTOIJDHBYSWAFM-SCLBCKFNSA-N -1 1 388.451 1.470 20 0 GDADMM C[C@@H](CNC(=O)CCc1ccccn1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574914657 948754520 /nfs/dbraw/zinc/75/45/20/948754520.db2.gz MAMXGZWYYQMMEA-VIFPVBQESA-N -1 1 392.876 1.921 20 0 GDADMM CC(C)[C@H](F)C(=O)N[C@H]1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574078353 948756256 /nfs/dbraw/zinc/75/62/56/948756256.db2.gz CXCJMSALGGZHTB-HUBLWGQQSA-N -1 1 376.440 1.738 20 0 GDADMM CC(C)[C@H](F)C(=O)N[C@H]1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574078353 948756268 /nfs/dbraw/zinc/75/62/68/948756268.db2.gz CXCJMSALGGZHTB-HUBLWGQQSA-N -1 1 376.440 1.738 20 0 GDADMM CC(F)(F)C1(C(=O)NCCC2(CNc3nccnc3-c3nnn[n-]3)CC2)CC1 ZINC001575222741 948757047 /nfs/dbraw/zinc/75/70/47/948757047.db2.gz IOKLPCDLZWLOMY-UHFFFAOYSA-N -1 1 392.414 1.791 20 0 GDADMM CC(F)(F)C1(C(=O)NCCC2(CNc3nccnc3-c3nn[n-]n3)CC2)CC1 ZINC001575222741 948757059 /nfs/dbraw/zinc/75/70/59/948757059.db2.gz IOKLPCDLZWLOMY-UHFFFAOYSA-N -1 1 392.414 1.791 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001575222774 948758476 /nfs/dbraw/zinc/75/84/76/948758476.db2.gz JNSVCAFCJCSDCX-GHMZBOCLSA-N -1 1 392.414 1.789 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001575222774 948758487 /nfs/dbraw/zinc/75/84/87/948758487.db2.gz JNSVCAFCJCSDCX-GHMZBOCLSA-N -1 1 392.414 1.789 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001574416718 948759502 /nfs/dbraw/zinc/75/95/02/948759502.db2.gz FCEIKNLBYFPQLH-OAHLLOKOSA-N -1 1 378.440 1.789 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001574416718 948759517 /nfs/dbraw/zinc/75/95/17/948759517.db2.gz FCEIKNLBYFPQLH-OAHLLOKOSA-N -1 1 378.440 1.789 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cnc(C2CC2)s1 ZINC001574678954 948761856 /nfs/dbraw/zinc/76/18/56/948761856.db2.gz LBZFGICTNYJLMH-SECBINFHSA-N -1 1 385.457 1.611 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cnc(C2CC2)s1 ZINC001574678954 948761863 /nfs/dbraw/zinc/76/18/63/948761863.db2.gz LBZFGICTNYJLMH-SECBINFHSA-N -1 1 385.457 1.611 20 0 GDADMM C[C@@H](CNC(=O)CCc1ccc(F)cc1F)Nc1nccnc1-c1nnn[n-]1 ZINC001574915463 948767059 /nfs/dbraw/zinc/76/70/59/948767059.db2.gz UVRQHLIJPCQLKH-JTQLQIEISA-N -1 1 388.382 1.484 20 0 GDADMM C[C@@H](CNC(=O)CCc1ccc(F)cc1F)Nc1nccnc1-c1nn[n-]n1 ZINC001574915463 948767071 /nfs/dbraw/zinc/76/70/71/948767071.db2.gz UVRQHLIJPCQLKH-JTQLQIEISA-N -1 1 388.382 1.484 20 0 GDADMM CC(F)(F)C1(C(=O)N2CC[C@H](CCNc3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001575223966 948773608 /nfs/dbraw/zinc/77/36/08/948773608.db2.gz QXOQDJIQGQQQIZ-NSHDSACASA-N -1 1 392.414 1.743 20 0 GDADMM CC(F)(F)C1(C(=O)N2CC[C@H](CCNc3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575223966 948773618 /nfs/dbraw/zinc/77/36/18/948773618.db2.gz QXOQDJIQGQQQIZ-NSHDSACASA-N -1 1 392.414 1.743 20 0 GDADMM CC(F)(F)C1(C(=O)N2CC[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001575223916 948775029 /nfs/dbraw/zinc/77/50/29/948775029.db2.gz PICPCBRKJRREQJ-JTQLQIEISA-N -1 1 378.387 1.353 20 0 GDADMM CC(F)(F)C1(C(=O)N2CC[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001575223916 948775040 /nfs/dbraw/zinc/77/50/40/948775040.db2.gz PICPCBRKJRREQJ-JTQLQIEISA-N -1 1 378.387 1.353 20 0 GDADMM C[C@@H](CNC(=O)CCc1ccon1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574916532 948778653 /nfs/dbraw/zinc/77/86/53/948778653.db2.gz CSDPGJCRSYRYON-ZETCQYMHSA-N -1 1 382.837 1.514 20 0 GDADMM C[C@@H](CNC(=O)CCc1ccon1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574916532 948778669 /nfs/dbraw/zinc/77/86/69/948778669.db2.gz CSDPGJCRSYRYON-ZETCQYMHSA-N -1 1 382.837 1.514 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CC[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001575224334 948782715 /nfs/dbraw/zinc/78/27/15/948782715.db2.gz UETLETQOAQATLT-GHMZBOCLSA-N -1 1 392.414 1.789 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CC[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575224334 948782727 /nfs/dbraw/zinc/78/27/27/948782727.db2.gz UETLETQOAQATLT-GHMZBOCLSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)Cc1ccccc1Cl ZINC001574679507 948784432 /nfs/dbraw/zinc/78/44/32/948784432.db2.gz WOVIEDJDPCJHMN-NSHDSACASA-N -1 1 386.847 1.860 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)Cc1ccccc1Cl ZINC001574679507 948784446 /nfs/dbraw/zinc/78/44/46/948784446.db2.gz WOVIEDJDPCJHMN-NSHDSACASA-N -1 1 386.847 1.860 20 0 GDADMM CC(C)c1ccccc1C(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574419863 948789754 /nfs/dbraw/zinc/78/97/54/948789754.db2.gz KSECWZDCJBJFEX-UHFFFAOYSA-N -1 1 380.456 1.989 20 0 GDADMM CC(C)c1ccccc1C(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574419863 948789765 /nfs/dbraw/zinc/78/97/65/948789765.db2.gz KSECWZDCJBJFEX-UHFFFAOYSA-N -1 1 380.456 1.989 20 0 GDADMM CC(F)(F)C1(C(=O)NCC2(Nc3cnc(-c4nnn[n-]4)cn3)CCC2)CC1 ZINC001575224734 948790725 /nfs/dbraw/zinc/79/07/25/948790725.db2.gz YDKNBNUAZVELGQ-UHFFFAOYSA-N -1 1 378.387 1.543 20 0 GDADMM CC(F)(F)C1(C(=O)NCC2(Nc3cnc(-c4nn[n-]n4)cn3)CCC2)CC1 ZINC001575224734 948790737 /nfs/dbraw/zinc/79/07/37/948790737.db2.gz YDKNBNUAZVELGQ-UHFFFAOYSA-N -1 1 378.387 1.543 20 0 GDADMM C[C@H](C(=O)Nc1ccccc1N=S(C)(C)=O)n1cnc(-c2nn[n-]n2)n1 ZINC001573756033 948794802 /nfs/dbraw/zinc/79/48/02/948794802.db2.gz WFOCHWRLTAHICR-SECBINFHSA-N -1 1 375.418 1.017 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)CC2)CC1 ZINC001575225465 948806272 /nfs/dbraw/zinc/80/62/72/948806272.db2.gz CJMKCNASAKIJPR-XYPYZODXSA-N -1 1 392.414 1.931 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)CC2)CC1 ZINC001575225465 948806293 /nfs/dbraw/zinc/80/62/93/948806293.db2.gz CJMKCNASAKIJPR-XYPYZODXSA-N -1 1 392.414 1.931 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001574681306 948813121 /nfs/dbraw/zinc/81/31/21/948813121.db2.gz LCYKOFKEKMVSMU-QMTHXVAHSA-N -1 1 382.403 1.442 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001574681306 948813137 /nfs/dbraw/zinc/81/31/37/948813137.db2.gz LCYKOFKEKMVSMU-QMTHXVAHSA-N -1 1 382.403 1.442 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001574681321 948813733 /nfs/dbraw/zinc/81/37/33/948813733.db2.gz LJTMLYFHLSXLLI-SNVBAGLBSA-N -1 1 384.448 1.298 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001574681321 948813754 /nfs/dbraw/zinc/81/37/54/948813754.db2.gz LJTMLYFHLSXLLI-SNVBAGLBSA-N -1 1 384.448 1.298 20 0 GDADMM CC(C)c1ccoc1C(=O)N1C[C@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574421685 948818875 /nfs/dbraw/zinc/81/88/75/948818875.db2.gz MOUUNZQLYVQKHH-SMDDNHRTSA-N -1 1 382.428 1.946 20 0 GDADMM CC(C)c1ccoc1C(=O)N1C[C@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574421685 948818893 /nfs/dbraw/zinc/81/88/93/948818893.db2.gz MOUUNZQLYVQKHH-SMDDNHRTSA-N -1 1 382.428 1.946 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575226924 948822806 /nfs/dbraw/zinc/82/28/06/948822806.db2.gz PEAFNVDPYFQCSY-NSHDSACASA-N -1 1 380.403 1.743 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575226924 948822820 /nfs/dbraw/zinc/82/28/20/948822820.db2.gz PEAFNVDPYFQCSY-NSHDSACASA-N -1 1 380.403 1.743 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cc1ccc(Cl)cc1 ZINC001574681748 948824198 /nfs/dbraw/zinc/82/41/98/948824198.db2.gz NNCRZFKBNICYPC-NSHDSACASA-N -1 1 386.847 1.860 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cc1ccc(Cl)cc1 ZINC001574681748 948824224 /nfs/dbraw/zinc/82/42/24/948824224.db2.gz NNCRZFKBNICYPC-NSHDSACASA-N -1 1 386.847 1.860 20 0 GDADMM CC(C)c1ccsc1C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574424114 948839875 /nfs/dbraw/zinc/83/98/75/948839875.db2.gz FLVIRBAYXYNYBC-XYPYZODXSA-N -1 1 384.469 1.636 20 0 GDADMM CC(C)c1ccsc1C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001574424164 948844686 /nfs/dbraw/zinc/84/46/86/948844686.db2.gz GZHTTZCVXYPAIC-NSHDSACASA-N -1 1 384.469 1.850 20 0 GDADMM CC(C)c1ccsc1C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001574424164 948844708 /nfs/dbraw/zinc/84/47/08/948844708.db2.gz GZHTTZCVXYPAIC-NSHDSACASA-N -1 1 384.469 1.850 20 0 GDADMM C[C@@H](CNC(=O)CCCc1ccccn1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574918488 948847510 /nfs/dbraw/zinc/84/75/10/948847510.db2.gz LKZYAUMJAFQHNM-ZDUSSCGKSA-N -1 1 381.444 1.016 20 0 GDADMM C[C@@H](CNC(=O)CCCc1ccccn1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574918488 948847535 /nfs/dbraw/zinc/84/75/35/948847535.db2.gz LKZYAUMJAFQHNM-ZDUSSCGKSA-N -1 1 381.444 1.016 20 0 GDADMM CC(C)c1nc(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)cs1 ZINC001574424376 948855895 /nfs/dbraw/zinc/85/58/95/948855895.db2.gz MVAFOTSCDHQUJE-SNVBAGLBSA-N -1 1 385.457 1.563 20 0 GDADMM CC(C)c1nc(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)cs1 ZINC001574424376 948855913 /nfs/dbraw/zinc/85/59/13/948855913.db2.gz MVAFOTSCDHQUJE-SNVBAGLBSA-N -1 1 385.457 1.563 20 0 GDADMM C[C@@H](CNC(=O)CCCc1ccccc1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574918762 948858063 /nfs/dbraw/zinc/85/80/63/948858063.db2.gz PWAQQYTYXYDHJG-CQSZACIVSA-N -1 1 380.456 1.266 20 0 GDADMM C[C@@H](CNC(=O)CCCc1cccs1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574918837 948865636 /nfs/dbraw/zinc/86/56/36/948865636.db2.gz RIZOWGHUNZUOEK-GFCCVEGCSA-N -1 1 386.485 1.905 20 0 GDADMM C[C@@H](CNC(=O)CCCc1cccs1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574918837 948865655 /nfs/dbraw/zinc/86/56/55/948865655.db2.gz RIZOWGHUNZUOEK-GFCCVEGCSA-N -1 1 386.485 1.905 20 0 GDADMM CC(F)(F)CC(=O)NC[C@H](Nc1nccnc1-c1nnn[n-]1)c1ccccc1 ZINC001575231905 948870644 /nfs/dbraw/zinc/87/06/44/948870644.db2.gz AJXUOPKMCDSQEZ-LBPRGKRZSA-N -1 1 388.382 1.971 20 0 GDADMM CC(F)(F)CC(=O)NC[C@H](Nc1nccnc1-c1nn[n-]n1)c1ccccc1 ZINC001575231905 948870668 /nfs/dbraw/zinc/87/06/68/948870668.db2.gz AJXUOPKMCDSQEZ-LBPRGKRZSA-N -1 1 388.382 1.971 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H]2[C@@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001573764289 948885142 /nfs/dbraw/zinc/88/51/42/948885142.db2.gz LTAUJSYQJORBJN-GXTWGEPZSA-N -1 1 382.472 1.520 20 0 GDADMM CC(C)(C(=O)N1CC[C@H]2[C@H](CCN2c2nccnc2-c2nnn[n-]2)C1)C(F)F ZINC001573765046 948898474 /nfs/dbraw/zinc/89/84/74/948898474.db2.gz UXJAJQGRPRNYRB-MNOVXSKESA-N -1 1 392.414 1.375 20 0 GDADMM CC(C)(C(=O)N1CC[C@H]2[C@H](CCN2c2nccnc2-c2nn[n-]n2)C1)C(F)F ZINC001573765046 948898493 /nfs/dbraw/zinc/89/84/93/948898493.db2.gz UXJAJQGRPRNYRB-MNOVXSKESA-N -1 1 392.414 1.375 20 0 GDADMM CC(C)[C@@]1(C)C[C@H]1C(=O)NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574087927 948902717 /nfs/dbraw/zinc/90/27/17/948902717.db2.gz BMCOOBRGORPQIH-IFXJQAMLSA-N -1 1 384.488 1.672 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@@H]2[C@@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575234847 948909247 /nfs/dbraw/zinc/90/92/47/948909247.db2.gz HLHFZPDIXTVXJC-NWDGAFQWSA-N -1 1 392.414 1.519 20 0 GDADMM CC(C)(C(=O)NC1CC2(C1)CC(Nc1cncc(-c3nnn[n-]3)n1)C2)C(F)F ZINC001573771648 948944200 /nfs/dbraw/zinc/94/42/00/948944200.db2.gz JYCZRRYHAAESBF-UHFFFAOYSA-N -1 1 392.414 1.787 20 0 GDADMM CC(C)(C(=O)NC1CC2(C1)CC(Nc1cncc(-c3nn[n-]n3)n1)C2)C(F)F ZINC001573771648 948944213 /nfs/dbraw/zinc/94/42/13/948944213.db2.gz JYCZRRYHAAESBF-UHFFFAOYSA-N -1 1 392.414 1.787 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C12CCC2 ZINC001575237906 948950480 /nfs/dbraw/zinc/95/04/80/948950480.db2.gz IXSOXQXMMABDQS-NEPJUHHUSA-N -1 1 392.414 1.931 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C12CCC2 ZINC001575237906 948950495 /nfs/dbraw/zinc/95/04/95/948950495.db2.gz IXSOXQXMMABDQS-NEPJUHHUSA-N -1 1 392.414 1.931 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C12CCC2 ZINC001575237909 948952533 /nfs/dbraw/zinc/95/25/33/948952533.db2.gz IXSOXQXMMABDQS-RYUDHWBXSA-N -1 1 392.414 1.931 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C12CCC2 ZINC001575237909 948952545 /nfs/dbraw/zinc/95/25/45/948952545.db2.gz IXSOXQXMMABDQS-RYUDHWBXSA-N -1 1 392.414 1.931 20 0 GDADMM CC(C)c1ncncc1C(=O)NCC[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574433353 948953605 /nfs/dbraw/zinc/95/36/05/948953605.db2.gz VZOFZYQCMHNXBY-NSHDSACASA-N -1 1 382.432 1.191 20 0 GDADMM CC(C)c1ncncc1C(=O)NCC[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574433353 948953618 /nfs/dbraw/zinc/95/36/18/948953618.db2.gz VZOFZYQCMHNXBY-NSHDSACASA-N -1 1 382.432 1.191 20 0 GDADMM CC(C)c1ncsc1C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574433440 948956140 /nfs/dbraw/zinc/95/61/40/948956140.db2.gz NOASXHSOYMOGPJ-SNVBAGLBSA-N -1 1 385.457 1.563 20 0 GDADMM CC(C)c1ncsc1C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574433440 948956150 /nfs/dbraw/zinc/95/61/50/948956150.db2.gz NOASXHSOYMOGPJ-SNVBAGLBSA-N -1 1 385.457 1.563 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574433389 948956458 /nfs/dbraw/zinc/95/64/58/948956458.db2.gz KTFIHWTXYIYMIU-AOOOYVTPSA-N -1 1 385.457 1.610 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574433389 948956466 /nfs/dbraw/zinc/95/64/66/948956466.db2.gz KTFIHWTXYIYMIU-AOOOYVTPSA-N -1 1 385.457 1.610 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575239064 948957203 /nfs/dbraw/zinc/95/72/03/948957203.db2.gz QAUKQULUNWCHQR-GHMZBOCLSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575239064 948957217 /nfs/dbraw/zinc/95/72/17/948957217.db2.gz QAUKQULUNWCHQR-GHMZBOCLSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001575240087 948966607 /nfs/dbraw/zinc/96/66/07/948966607.db2.gz YXLKJEBXKGTQQI-NSHDSACASA-N -1 1 380.403 1.567 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001575240087 948966616 /nfs/dbraw/zinc/96/66/16/948966616.db2.gz YXLKJEBXKGTQQI-NSHDSACASA-N -1 1 380.403 1.567 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001575239916 948966668 /nfs/dbraw/zinc/96/66/68/948966668.db2.gz XZOPISGEUZKNPY-GHMZBOCLSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001575239916 948966675 /nfs/dbraw/zinc/96/66/75/948966675.db2.gz XZOPISGEUZKNPY-GHMZBOCLSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001575240097 948967326 /nfs/dbraw/zinc/96/73/26/948967326.db2.gz ZAHKLHYAROIELH-MNOVXSKESA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001575240097 948967338 /nfs/dbraw/zinc/96/73/38/948967338.db2.gz ZAHKLHYAROIELH-MNOVXSKESA-N -1 1 380.403 1.789 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@@H](C)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574434183 948977208 /nfs/dbraw/zinc/97/72/08/948977208.db2.gz YWFJHGMOZPONTB-UWVGGRQHSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@@H](C)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574434183 948977219 /nfs/dbraw/zinc/97/72/19/948977219.db2.gz YWFJHGMOZPONTB-UWVGGRQHSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)NC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574090245 948979683 /nfs/dbraw/zinc/97/96/83/948979683.db2.gz MJBRXHCCLHTXSD-BFUOFWGJSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)NC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574090245 948979690 /nfs/dbraw/zinc/97/96/90/948979690.db2.gz MJBRXHCCLHTXSD-BFUOFWGJSA-N -1 1 384.488 1.814 20 0 GDADMM CC(F)(F)CCC(=O)N[C@]12CCC[C@H]1CN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001575242112 948982796 /nfs/dbraw/zinc/98/27/96/948982796.db2.gz GYNVRCGVYVEGHO-GTNSWQLSSA-N -1 1 392.414 1.567 20 0 GDADMM CC(F)(F)c1ccccc1NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001575243095 948992536 /nfs/dbraw/zinc/99/25/36/948992536.db2.gz MOYJJDWNBLIFAX-UHFFFAOYSA-N -1 1 391.338 1.270 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)NC1(CNc2ccnc(-c3nn[n-]n3)n2)CCCCC1 ZINC001574090857 948996693 /nfs/dbraw/zinc/99/66/93/948996693.db2.gz JQPGPILABHMDQB-KGLIPLIRSA-N -1 1 384.488 1.602 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)CC1(C(F)(F)F)CC1 ZINC001574690254 948998245 /nfs/dbraw/zinc/99/82/45/948998245.db2.gz NVQLFVNKLLDCEP-VIFPVBQESA-N -1 1 384.366 1.696 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)CC1(C(F)(F)F)CC1 ZINC001574690254 948998249 /nfs/dbraw/zinc/99/82/49/948998249.db2.gz NVQLFVNKLLDCEP-VIFPVBQESA-N -1 1 384.366 1.696 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CCc2cccnc21 ZINC001574691042 949011394 /nfs/dbraw/zinc/01/13/94/949011394.db2.gz SKLXEKOVSWDHGU-AAEUAGOBSA-N -1 1 379.428 1.088 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CCc2cccnc21 ZINC001574691042 949011414 /nfs/dbraw/zinc/01/14/14/949011414.db2.gz SKLXEKOVSWDHGU-AAEUAGOBSA-N -1 1 379.428 1.088 20 0 GDADMM CC(C)(C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1)C1CCCCC1 ZINC001573775252 949033700 /nfs/dbraw/zinc/03/37/00/949033700.db2.gz UXPLPCWDESLOBB-ZDUSSCGKSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)(C(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1)C1CCCCC1 ZINC001573775252 949033720 /nfs/dbraw/zinc/03/37/20/949033720.db2.gz UXPLPCWDESLOBB-ZDUSSCGKSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)(C(=O)NC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1)C(F)(F)F ZINC001573775641 949045380 /nfs/dbraw/zinc/04/53/80/949045380.db2.gz YYDGNSZDCCXNRJ-VIFPVBQESA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)(C(=O)NC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1)C(F)(F)F ZINC001573775641 949045402 /nfs/dbraw/zinc/04/54/02/949045402.db2.gz YYDGNSZDCCXNRJ-VIFPVBQESA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)Cc1cccnc1 ZINC001574693222 949049418 /nfs/dbraw/zinc/04/94/18/949049418.db2.gz CTJMGWXBGGKBQL-SECBINFHSA-N -1 1 392.876 1.921 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)Cc1cccnc1 ZINC001574693222 949049437 /nfs/dbraw/zinc/04/94/37/949049437.db2.gz CTJMGWXBGGKBQL-SECBINFHSA-N -1 1 392.876 1.921 20 0 GDADMM CC(C)[C@@H]1C[C@@H](CC(=O)N(C)CCNc2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC001574092308 949060153 /nfs/dbraw/zinc/06/01/53/949060153.db2.gz NOWZLGJTDNSNRI-ZFWWWQNUSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)[C@@H]1C[C@@H](CC(=O)N(C)CCNc2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC001574092308 949060169 /nfs/dbraw/zinc/06/01/69/949060169.db2.gz NOWZLGJTDNSNRI-ZFWWWQNUSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCCCN1c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573779892 949075320 /nfs/dbraw/zinc/07/53/20/949075320.db2.gz OVESNOXYMBVTEH-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)c1ccnn1C ZINC001574694530 949078014 /nfs/dbraw/zinc/07/80/14/949078014.db2.gz QTNKWCSVGRGGRS-SSDOTTSWSA-N -1 1 381.853 1.331 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)c1ccnn1C ZINC001574694530 949078034 /nfs/dbraw/zinc/07/80/34/949078034.db2.gz QTNKWCSVGRGGRS-SSDOTTSWSA-N -1 1 381.853 1.331 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001574694597 949080793 /nfs/dbraw/zinc/08/07/93/949080793.db2.gz SGQFWAWZBDTOGB-RBXMUDONSA-N -1 1 383.865 1.176 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001574694597 949080808 /nfs/dbraw/zinc/08/08/08/949080808.db2.gz SGQFWAWZBDTOGB-RBXMUDONSA-N -1 1 383.865 1.176 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)C(F)F ZINC001573780092 949083127 /nfs/dbraw/zinc/08/31/27/949083127.db2.gz RGPINEMDYMKKFU-JTQLQIEISA-N -1 1 380.403 1.281 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)C(F)F ZINC001573780092 949083147 /nfs/dbraw/zinc/08/31/47/949083147.db2.gz RGPINEMDYMKKFU-JTQLQIEISA-N -1 1 380.403 1.281 20 0 GDADMM C[C@@H](CN(C)C(=O)C(C)(C)C1CCOCC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574694715 949090196 /nfs/dbraw/zinc/09/01/96/949090196.db2.gz VAXDRGPOVONTSB-LBPRGKRZSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@@H](CN(C)C(=O)C(C)(C)C1CCOCC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574694715 949090215 /nfs/dbraw/zinc/09/02/15/949090215.db2.gz VAXDRGPOVONTSB-LBPRGKRZSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)c1nocc1C(=O)N(C)CCCN(C)c1nccnc1-c1nnn[n-]1 ZINC001574442393 949094048 /nfs/dbraw/zinc/09/40/48/949094048.db2.gz NMRUWTCUOOUDDZ-UHFFFAOYSA-N -1 1 385.432 1.367 20 0 GDADMM CC(C)c1nocc1C(=O)N(C)CCCN(C)c1nccnc1-c1nn[n-]n1 ZINC001574442393 949094063 /nfs/dbraw/zinc/09/40/63/949094063.db2.gz NMRUWTCUOOUDDZ-UHFFFAOYSA-N -1 1 385.432 1.367 20 0 GDADMM C[C@H](CNC(=O)COC1CCCC1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574930268 949106807 /nfs/dbraw/zinc/10/68/07/949106807.db2.gz KJSFXYZSIPYSCQ-MRVPVSSYSA-N -1 1 385.881 1.852 20 0 GDADMM CC(C)c1occc1C(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001574446070 949120119 /nfs/dbraw/zinc/12/01/19/949120119.db2.gz HKYKGICAUUMGIS-AWEZNQCLSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1occc1C(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001574446070 949120138 /nfs/dbraw/zinc/12/01/38/949120138.db2.gz HKYKGICAUUMGIS-AWEZNQCLSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1ocnc1C(=O)N(C)CCCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574446640 949136808 /nfs/dbraw/zinc/13/68/08/949136808.db2.gz UPXARLHOJGKPFZ-UHFFFAOYSA-N -1 1 385.432 1.367 20 0 GDADMM CC(C)c1ocnc1C(=O)N(C)CCCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574446640 949136825 /nfs/dbraw/zinc/13/68/25/949136825.db2.gz UPXARLHOJGKPFZ-UHFFFAOYSA-N -1 1 385.432 1.367 20 0 GDADMM CC(C)(C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001573782864 949137213 /nfs/dbraw/zinc/13/72/13/949137213.db2.gz MBLDCWIDSMQDLQ-DTORHVGOSA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)(C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001573782864 949137226 /nfs/dbraw/zinc/13/72/26/949137226.db2.gz MBLDCWIDSMQDLQ-DTORHVGOSA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001574446799 949137937 /nfs/dbraw/zinc/13/79/37/949137937.db2.gz WTLHDVZAEWRQJI-NSHDSACASA-N -1 1 383.416 1.342 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001574446799 949137949 /nfs/dbraw/zinc/13/79/49/949137949.db2.gz WTLHDVZAEWRQJI-NSHDSACASA-N -1 1 383.416 1.342 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCCCC1 ZINC001574094627 949141044 /nfs/dbraw/zinc/14/10/44/949141044.db2.gz YZPGAIHNJRJYQX-KGLIPLIRSA-N -1 1 384.488 1.602 20 0 GDADMM C[C@@H](NC(=O)C1(Cc2ccccc2)CC1)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575251597 949145199 /nfs/dbraw/zinc/14/51/99/949145199.db2.gz BPVJADAINOOXOO-ZIAGYGMSSA-N -1 1 392.467 1.407 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574446943 949146508 /nfs/dbraw/zinc/14/65/08/949146508.db2.gz BXMUFALSWPNGPD-LLVKDONJSA-N -1 1 383.416 1.024 20 0 GDADMM C[C@H](NC(=O)C1(CF)CCC1)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575251781 949148293 /nfs/dbraw/zinc/14/82/93/949148293.db2.gz CRMSOPJEGUFWSV-STQMWFEESA-N -1 1 388.451 1.518 20 0 GDADMM C[C@H](NC(=O)C1(CF)CCC1)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575251781 949148302 /nfs/dbraw/zinc/14/83/02/949148302.db2.gz CRMSOPJEGUFWSV-STQMWFEESA-N -1 1 388.451 1.518 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)CC1(O)CCC1 ZINC001574697066 949150263 /nfs/dbraw/zinc/15/02/63/949150263.db2.gz YEKHWHNXNJIGGX-MRVPVSSYSA-N -1 1 385.881 1.588 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)CC1(O)CCC1 ZINC001574697066 949150279 /nfs/dbraw/zinc/15/02/79/949150279.db2.gz YEKHWHNXNJIGGX-MRVPVSSYSA-N -1 1 385.881 1.588 20 0 GDADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)C1(C(F)(F)F)CCC1 ZINC001575251863 949151713 /nfs/dbraw/zinc/15/17/13/949151713.db2.gz OTWSAABBYVAGHK-BDAKNGLRSA-N -1 1 384.366 1.116 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574447345 949156930 /nfs/dbraw/zinc/15/69/30/949156930.db2.gz MKUSOLINRBALFH-XYPYZODXSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574447345 949156945 /nfs/dbraw/zinc/15/69/45/949156945.db2.gz MKUSOLINRBALFH-XYPYZODXSA-N -1 1 383.416 1.389 20 0 GDADMM C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001602795765 971558464 /nfs/dbraw/zinc/55/84/64/971558464.db2.gz NTROBWLCEVQEDR-YMNVWFMLSA-N -1 1 379.413 1.795 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)C1CC1)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575253004 949176438 /nfs/dbraw/zinc/17/64/38/949176438.db2.gz RJGSGWIMEWWWMH-CHWSQXEVSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)C1CC1)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575253004 949176447 /nfs/dbraw/zinc/17/64/47/949176447.db2.gz RJGSGWIMEWWWMH-CHWSQXEVSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)c1oncc1C(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001574448056 949178893 /nfs/dbraw/zinc/17/88/93/949178893.db2.gz DFGOKAIDARMUDH-GFCCVEGCSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1oncc1C(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001574448056 949178907 /nfs/dbraw/zinc/17/89/07/949178907.db2.gz DFGOKAIDARMUDH-GFCCVEGCSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)CC(=O)N(CCNc1ccnc(-c2nn[n-]n2)n1)Cc1ccccc1 ZINC001574099882 949187586 /nfs/dbraw/zinc/18/75/86/949187586.db2.gz PKPUMBAAYVLLAL-UHFFFAOYSA-N -1 1 380.456 1.565 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H](C)c1cccc(F)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574698591 949197841 /nfs/dbraw/zinc/19/78/41/949197841.db2.gz MXWFXFQHEIFRKZ-NEPJUHHUSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H](C)c1cccc(F)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574698591 949197856 /nfs/dbraw/zinc/19/78/56/949197856.db2.gz MXWFXFQHEIFRKZ-NEPJUHHUSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@H](NC(=O)C(C)(C)C1CCOCC1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575254479 949202329 /nfs/dbraw/zinc/20/23/29/949202329.db2.gz WEEMFFSBKXUXJN-RYUDHWBXSA-N -1 1 388.476 1.415 20 0 GDADMM C[C@H](NC(=O)C(C)(C)C1CCOCC1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575254479 949202347 /nfs/dbraw/zinc/20/23/47/949202347.db2.gz WEEMFFSBKXUXJN-RYUDHWBXSA-N -1 1 388.476 1.415 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(Cl)cc1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574936756 949216475 /nfs/dbraw/zinc/21/64/75/949216475.db2.gz KOBHMIIPTMZPNM-LLVKDONJSA-N -1 1 386.847 1.717 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(Cl)cc1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574936756 949216495 /nfs/dbraw/zinc/21/64/95/949216495.db2.gz KOBHMIIPTMZPNM-LLVKDONJSA-N -1 1 386.847 1.717 20 0 GDADMM CC(C)c1scnc1C(=O)N(C)[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574451119 949216761 /nfs/dbraw/zinc/21/67/61/949216761.db2.gz CKYAWZNKEKFLCA-SNVBAGLBSA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)c1scnc1C(=O)N(C)[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574451119 949216783 /nfs/dbraw/zinc/21/67/83/949216783.db2.gz CKYAWZNKEKFLCA-SNVBAGLBSA-N -1 1 387.473 1.809 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)c1ccccc1)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575254761 949218675 /nfs/dbraw/zinc/21/86/75/949218675.db2.gz XOEGMRNFWSRWPD-CHWSQXEVSA-N -1 1 380.456 1.940 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)c1ccccc1)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575254761 949218693 /nfs/dbraw/zinc/21/86/93/949218693.db2.gz XOEGMRNFWSRWPD-CHWSQXEVSA-N -1 1 380.456 1.940 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001574451324 949227603 /nfs/dbraw/zinc/22/76/03/949227603.db2.gz MGXXCFXHIIGOHL-LBPRGKRZSA-N -1 1 385.432 1.057 20 0 GDADMM C[C@H](NC(=O)C(C)(C)CC(F)(F)F)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575255380 949231114 /nfs/dbraw/zinc/23/11/14/949231114.db2.gz ZQPFSVKDIALMNE-IUCAKERBSA-N -1 1 386.382 1.940 20 0 GDADMM C[C@H](NC(=O)C(C)(C)CC(F)(F)F)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575255380 949231135 /nfs/dbraw/zinc/23/11/35/949231135.db2.gz ZQPFSVKDIALMNE-IUCAKERBSA-N -1 1 386.382 1.940 20 0 GDADMM CC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)[C@@H]2C[C@H]2C2CCC2)CC1 ZINC001575854443 949235991 /nfs/dbraw/zinc/23/59/91/949235991.db2.gz XATJDLILILRJPC-UONOGXRCSA-N -1 1 382.472 1.308 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(F)cc1F)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574938504 949245700 /nfs/dbraw/zinc/24/57/00/949245700.db2.gz XGAHGJUGJBPKCW-SNVBAGLBSA-N -1 1 388.382 1.119 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(F)cc1F)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574938504 949245722 /nfs/dbraw/zinc/24/57/22/949245722.db2.gz XGAHGJUGJBPKCW-SNVBAGLBSA-N -1 1 388.382 1.119 20 0 GDADMM C[C@@H](CNC(=O)Cc1c(F)cccc1F)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574938665 949249668 /nfs/dbraw/zinc/24/96/68/949249668.db2.gz YPIHMYCGTRIEKC-JTQLQIEISA-N -1 1 388.382 1.119 20 0 GDADMM C[C@@H](CNC(=O)Cc1c(F)cccc1F)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574938665 949249691 /nfs/dbraw/zinc/24/96/91/949249691.db2.gz YPIHMYCGTRIEKC-JTQLQIEISA-N -1 1 388.382 1.119 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(C2CC2)c1)CNc1nccnc1-c1nnn[n-]1 ZINC001574940440 949260915 /nfs/dbraw/zinc/26/09/15/949260915.db2.gz FYHOORJZTIUESI-CYBMUJFWSA-N -1 1 392.467 1.941 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(C2CC2)c1)CNc1nccnc1-c1nn[n-]n1 ZINC001574940440 949260935 /nfs/dbraw/zinc/26/09/35/949260935.db2.gz FYHOORJZTIUESI-CYBMUJFWSA-N -1 1 392.467 1.941 20 0 GDADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)CC2CC(F)(F)C2)CC1 ZINC001575857242 949263688 /nfs/dbraw/zinc/26/36/88/949263688.db2.gz QDZBHDLTAJMDOJ-UHFFFAOYSA-N -1 1 392.414 1.885 20 0 GDADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)CC2CC(F)(F)C2)CC1 ZINC001575857242 949263707 /nfs/dbraw/zinc/26/37/07/949263707.db2.gz QDZBHDLTAJMDOJ-UHFFFAOYSA-N -1 1 392.414 1.885 20 0 GDADMM C[C@H]1CCC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576153017 949268194 /nfs/dbraw/zinc/26/81/94/949268194.db2.gz KZRCCMSWMZBBIR-LJISPDSOSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H]1CCC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576153017 949268216 /nfs/dbraw/zinc/26/82/16/949268216.db2.gz KZRCCMSWMZBBIR-LJISPDSOSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](CNC(=O)Cc1ccccc1Cl)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574940810 949280727 /nfs/dbraw/zinc/28/07/27/949280727.db2.gz KSSKEONOBSBXEG-LLVKDONJSA-N -1 1 386.847 1.494 20 0 GDADMM C[C@H](CNC(=O)Cc1ccccc1Cl)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574940810 949280745 /nfs/dbraw/zinc/28/07/45/949280745.db2.gz KSSKEONOBSBXEG-LLVKDONJSA-N -1 1 386.847 1.494 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(C2CC2)c1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574940925 949282306 /nfs/dbraw/zinc/28/23/06/949282306.db2.gz MNJIFDIZOFNVST-ZDUSSCGKSA-N -1 1 392.467 1.363 20 0 GDADMM CC(C)n1cc(C(=O)N(C)C2CC(Nc3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001574453186 949286803 /nfs/dbraw/zinc/28/68/03/949286803.db2.gz YRZYISVSYWBSKQ-UHFFFAOYSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1cc(C(=O)N(C)C2CC(Nc3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001574453186 949286830 /nfs/dbraw/zinc/28/68/30/949286830.db2.gz YRZYISVSYWBSKQ-UHFFFAOYSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)CC(=O)N1CCC[C@H]([C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001574108139 949289623 /nfs/dbraw/zinc/28/96/23/949289623.db2.gz LUFQHRHRJXRKJN-GJZGRUSLSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)CC(=O)N1CCC[C@H]([C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001574108139 949289645 /nfs/dbraw/zinc/28/96/45/949289645.db2.gz LUFQHRHRJXRKJN-GJZGRUSLSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](CN(C)C(=O)[C@]1(F)CCOC1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574702773 949291977 /nfs/dbraw/zinc/29/19/77/949291977.db2.gz LOVYQVMVWCLPFC-UHLUBPPHSA-N -1 1 389.844 1.364 20 0 GDADMM C[C@H](CN(C)C(=O)[C@]1(F)CCOC1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574702773 949292001 /nfs/dbraw/zinc/29/20/01/949292001.db2.gz LOVYQVMVWCLPFC-UHLUBPPHSA-N -1 1 389.844 1.364 20 0 GDADMM C[C@@H](CN(C)C(=O)C1(c2ccccn2)CC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574702810 949294817 /nfs/dbraw/zinc/29/48/17/949294817.db2.gz MFVKFRHQMBZHFE-LBPRGKRZSA-N -1 1 379.428 1.042 20 0 GDADMM C[C@@H](CN(C)C(=O)C1(c2ccccn2)CC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574702810 949294831 /nfs/dbraw/zinc/29/48/31/949294831.db2.gz MFVKFRHQMBZHFE-LBPRGKRZSA-N -1 1 379.428 1.042 20 0 GDADMM CC(C)n1cc(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)nn1 ZINC001574455016 949296289 /nfs/dbraw/zinc/29/62/89/949296289.db2.gz LIFPVNNLMHGDNB-UHFFFAOYSA-N -1 1 382.837 1.171 20 0 GDADMM CC(C)n1cc(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)nn1 ZINC001574455016 949296308 /nfs/dbraw/zinc/29/63/08/949296308.db2.gz LIFPVNNLMHGDNB-UHFFFAOYSA-N -1 1 382.837 1.171 20 0 GDADMM C[C@@H](NC(=O)C1CC(F)(F)C1)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575258313 949296706 /nfs/dbraw/zinc/29/67/06/949296706.db2.gz GUCZVTLLZPDPQR-GHMZBOCLSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@@H](NC(=O)C1CC(F)(F)C1)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575258313 949296734 /nfs/dbraw/zinc/29/67/34/949296734.db2.gz GUCZVTLLZPDPQR-GHMZBOCLSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H](c1ccccc1)C1CC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574703138 949312969 /nfs/dbraw/zinc/31/29/69/949312969.db2.gz RKSXQIPFHURMIW-SUMWQHHRSA-N -1 1 392.467 1.531 20 0 GDADMM C[C@H](CN(C)C(=O)[C@]1(C)CCc2ccccc21)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574703158 949314588 /nfs/dbraw/zinc/31/45/88/949314588.db2.gz SBIARSOYHDVCEP-ZUOKHONESA-N -1 1 392.467 1.820 20 0 GDADMM C[C@H](CN(C)C(=O)[C@]1(C)CCc2ccccc21)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574703158 949314610 /nfs/dbraw/zinc/31/46/10/949314610.db2.gz SBIARSOYHDVCEP-ZUOKHONESA-N -1 1 392.467 1.820 20 0 GDADMM CC(C)(C)C(=O)N1CCCC[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001573797055 949349720 /nfs/dbraw/zinc/34/97/20/949349720.db2.gz ZFYGFUJWQIUYJD-LJQANCHMSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)(C)C(=O)N1CCCC[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001573797055 949349752 /nfs/dbraw/zinc/34/97/52/949349752.db2.gz ZFYGFUJWQIUYJD-LJQANCHMSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@H]1CCC[C@H](C(=O)N(C)C2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001576154652 949354540 /nfs/dbraw/zinc/35/45/40/949354540.db2.gz QWYGSKWTANOOCD-KBPBESRZSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CCC[C@H](C(=O)N(C)C2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001576154652 949354560 /nfs/dbraw/zinc/35/45/60/949354560.db2.gz QWYGSKWTANOOCD-KBPBESRZSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CC(=O)N[C@@H]1[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)[C@H]2C1(C)C ZINC001574110701 949363058 /nfs/dbraw/zinc/36/30/58/949363058.db2.gz ALWQLGNDTCWCMM-JCURWCKSSA-N -1 1 384.488 1.812 20 0 GDADMM CC(C)CC(=O)N[C@@H]1[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)[C@H]2C1(C)C ZINC001574110701 949363087 /nfs/dbraw/zinc/36/30/87/949363087.db2.gz ALWQLGNDTCWCMM-JCURWCKSSA-N -1 1 384.488 1.812 20 0 GDADMM C[C@H](NC(=O)C1CC(F)(F)C1)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575260995 949368797 /nfs/dbraw/zinc/36/87/97/949368797.db2.gz ZDLPZCAFWZMQFJ-QWRGUYRKSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@H](NC(=O)C1CC(F)(F)C1)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575260995 949368818 /nfs/dbraw/zinc/36/88/18/949368818.db2.gz ZDLPZCAFWZMQFJ-QWRGUYRKSA-N -1 1 392.414 1.423 20 0 GDADMM CC1(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nnn[n-]2)CC(F)(F)C1 ZINC001575527810 949383797 /nfs/dbraw/zinc/38/37/97/949383797.db2.gz HSFIDJXPTLDSPG-PHIMTYICSA-N -1 1 390.398 1.272 20 0 GDADMM CC1(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nn[n-]n2)CC(F)(F)C1 ZINC001575527810 949383817 /nfs/dbraw/zinc/38/38/17/949383817.db2.gz HSFIDJXPTLDSPG-PHIMTYICSA-N -1 1 390.398 1.272 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2(C)CC(F)(F)C2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575865746 949383903 /nfs/dbraw/zinc/38/39/03/949383903.db2.gz BQEMOWMRJMQZMK-QWRGUYRKSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2(C)CC(F)(F)C2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575865746 949383918 /nfs/dbraw/zinc/38/39/18/949383918.db2.gz BQEMOWMRJMQZMK-QWRGUYRKSA-N -1 1 392.414 1.566 20 0 GDADMM CC1(C)CN(C(=O)[C@]2(C)CC=CCC2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575527948 949386939 /nfs/dbraw/zinc/38/69/39/949386939.db2.gz KEDABIQKVACUQF-ORAYPTAESA-N -1 1 382.472 1.474 20 0 GDADMM CC(C)n1cnc(C(=O)N2CC[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001574463906 949391727 /nfs/dbraw/zinc/39/17/27/949391727.db2.gz AULRXRMQPHWXNP-LBPRGKRZSA-N -1 1 382.432 1.008 20 0 GDADMM CC(C)n1cnc(C(=O)N2CC[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001574463906 949391744 /nfs/dbraw/zinc/39/17/44/949391744.db2.gz AULRXRMQPHWXNP-LBPRGKRZSA-N -1 1 382.432 1.008 20 0 GDADMM CC(C)(C)C(=O)N[C@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C[C@@H]1O ZINC001573800622 949400625 /nfs/dbraw/zinc/40/06/25/949400625.db2.gz ZYDLRSPEITVPLU-YUMQZZPRSA-N -1 1 385.881 1.079 20 0 GDADMM CC(C)(C)C(=O)N[C@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C[C@@H]1O ZINC001573800622 949400630 /nfs/dbraw/zinc/40/06/30/949400630.db2.gz ZYDLRSPEITVPLU-YUMQZZPRSA-N -1 1 385.881 1.079 20 0 GDADMM CC(C)(C)C(=O)NC[C@@H]1c2ccccc2CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001573802304 949417890 /nfs/dbraw/zinc/41/78/90/949417890.db2.gz DORJLUABEZLMGO-MRXNPFEDSA-N -1 1 392.467 1.923 20 0 GDADMM CC(C)(C)C(=O)NC[C@@H]1c2ccccc2CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001573802304 949417903 /nfs/dbraw/zinc/41/79/03/949417903.db2.gz DORJLUABEZLMGO-MRXNPFEDSA-N -1 1 392.467 1.923 20 0 GDADMM C[C@H](CNC(=O)Cc1cncs1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574945950 949425432 /nfs/dbraw/zinc/42/54/32/949425432.db2.gz PXGUBLDJRMPMEL-ZCFIWIBFSA-N -1 1 384.878 1.592 20 0 GDADMM C[C@H](CNC(=O)Cc1cncs1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574945950 949425447 /nfs/dbraw/zinc/42/54/47/949425447.db2.gz PXGUBLDJRMPMEL-ZCFIWIBFSA-N -1 1 384.878 1.592 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CCCF ZINC001576156181 949432062 /nfs/dbraw/zinc/43/20/62/949432062.db2.gz LWAHSTNACPWUCE-YVEFUNNKSA-N -1 1 376.440 1.883 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CCCF ZINC001576156181 949432073 /nfs/dbraw/zinc/43/20/73/949432073.db2.gz LWAHSTNACPWUCE-YVEFUNNKSA-N -1 1 376.440 1.883 20 0 GDADMM CC(C)(C)C(=O)NC[C@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)CCO1 ZINC001573803506 949444388 /nfs/dbraw/zinc/44/43/88/949444388.db2.gz QMVAIRBBXJETPJ-QMMMGPOBSA-N -1 1 385.881 1.344 20 0 GDADMM CC(C)(C)C(=O)NC[C@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)CCO1 ZINC001573803506 949444403 /nfs/dbraw/zinc/44/44/03/949444403.db2.gz QMVAIRBBXJETPJ-QMMMGPOBSA-N -1 1 385.881 1.344 20 0 GDADMM C[C@]1(C(=O)N2CC[C@H](CCNc3ccc(-c4nnn[n-]4)nn3)C2)CCCOC1 ZINC001575535346 949445294 /nfs/dbraw/zinc/44/52/94/949445294.db2.gz VSIWUJNORJTRMY-UGSOOPFHSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@]1(C(=O)N2CC[C@H](CCNc3ccc(-c4nn[n-]n4)nn3)C2)CCCOC1 ZINC001575535346 949445304 /nfs/dbraw/zinc/44/53/04/949445304.db2.gz VSIWUJNORJTRMY-UGSOOPFHSA-N -1 1 386.460 1.124 20 0 GDADMM CC(C)n1ncc(C(=O)N(C)CCNc2cnc(-c3nnn[n-]3)cn2)c1Cl ZINC001574467976 949448127 /nfs/dbraw/zinc/44/81/27/949448127.db2.gz BVABSCIXIBNHNZ-UHFFFAOYSA-N -1 1 390.839 1.272 20 0 GDADMM CC(C)n1ncc(C(=O)N(C)CCNc2cnc(-c3nn[n-]n3)cn2)c1Cl ZINC001574467976 949448141 /nfs/dbraw/zinc/44/81/41/949448141.db2.gz BVABSCIXIBNHNZ-UHFFFAOYSA-N -1 1 390.839 1.272 20 0 GDADMM C[C@H](NC(=O)C1CCOCC1)[C@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575265544 949449005 /nfs/dbraw/zinc/44/90/05/949449005.db2.gz UNWOHRAXQMOSEU-YUMQZZPRSA-N -1 1 385.881 1.708 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1=CCCC1 ZINC001576156578 949450116 /nfs/dbraw/zinc/45/01/16/949450116.db2.gz NDQXWCNFYOWNCY-ORAYPTAESA-N -1 1 382.472 1.666 20 0 GDADMM CC1(C(=O)N2CC[C@]3(C2)CCCN(c2cncc(-c4nnn[n-]4)n2)C3)CCC1 ZINC001575535846 949459886 /nfs/dbraw/zinc/45/98/86/949459886.db2.gz CAFGMZUSKLMYQK-LJQANCHMSA-N -1 1 382.472 1.666 20 0 GDADMM CC1(C(=O)N2CC[C@]3(C2)CCCN(c2cncc(-c4nn[n-]n4)n2)C3)CCC1 ZINC001575535846 949459894 /nfs/dbraw/zinc/45/98/94/949459894.db2.gz CAFGMZUSKLMYQK-LJQANCHMSA-N -1 1 382.472 1.666 20 0 GDADMM C[C@H]1CCC[C@@H](OCC(=O)N(C)CCN(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576156879 949462997 /nfs/dbraw/zinc/46/29/97/949462997.db2.gz XIDQSALDWYIBKS-UONOGXRCSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@H]1CCC[C@@H](OCC(=O)N(C)CCN(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576156879 949463014 /nfs/dbraw/zinc/46/30/14/949463014.db2.gz XIDQSALDWYIBKS-UONOGXRCSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1CCCC(F)(F)C1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574707153 949467795 /nfs/dbraw/zinc/46/77/95/949467795.db2.gz NRWVROCLQMYFIE-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1CCCC(F)(F)C1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574707153 949467808 /nfs/dbraw/zinc/46/78/08/949467808.db2.gz NRWVROCLQMYFIE-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)n1nccc1C(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574469319 949478334 /nfs/dbraw/zinc/47/83/34/949478334.db2.gz BNHMOHPGKXCOBD-VXGBXAGGSA-N -1 1 382.432 1.007 20 0 GDADMM CC(C)n1nccc1C(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574469319 949478348 /nfs/dbraw/zinc/47/83/48/949478348.db2.gz BNHMOHPGKXCOBD-VXGBXAGGSA-N -1 1 382.432 1.007 20 0 GDADMM C[C@H]1[C@H](CO)CCN1C(=O)Nc1ccc(Br)c(-c2nnn[n-]2)n1 ZINC001575870308 949483924 /nfs/dbraw/zinc/48/39/24/949483924.db2.gz UJIKONFQWZRRHO-YUMQZZPRSA-N -1 1 382.222 1.259 20 0 GDADMM C[C@H]1[C@H](CO)CCN1C(=O)Nc1ccc(Br)c(-c2nn[n-]n2)n1 ZINC001575870308 949483934 /nfs/dbraw/zinc/48/39/34/949483934.db2.gz UJIKONFQWZRRHO-YUMQZZPRSA-N -1 1 382.222 1.259 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C[C@H](C)c1ccccc1 ZINC001574470383 949498364 /nfs/dbraw/zinc/49/83/64/949498364.db2.gz BVWRMMGRFMYHQQ-UONOGXRCSA-N -1 1 380.456 1.531 20 0 GDADMM C[C@@H](NC(=O)CC1CCCC1)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575267655 949503147 /nfs/dbraw/zinc/50/31/47/949503147.db2.gz JEIMHPQMKITDAV-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](NC(=O)CC1CCCC1)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575267655 949503157 /nfs/dbraw/zinc/50/31/57/949503157.db2.gz JEIMHPQMKITDAV-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCC[C@@H]1CC(=O)N1CCC(N(C)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576158837 949504017 /nfs/dbraw/zinc/50/40/17/949504017.db2.gz VAJSFDIWFRFIDY-UONOGXRCSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2(C(F)F)CC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575871058 949505176 /nfs/dbraw/zinc/50/51/76/949505176.db2.gz YFJRKRLAMMROQM-ZJUUUORDSA-N -1 1 378.387 1.176 20 0 GDADMM C[C@H]1CCC[C@H]1CC(=O)NCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576159483 949519881 /nfs/dbraw/zinc/51/98/81/949519881.db2.gz XLRDPLJGGRXDBF-ZFWWWQNUSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H]1CCC[C@H]1CC(=O)NCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576159483 949519889 /nfs/dbraw/zinc/51/98/89/949519889.db2.gz XLRDPLJGGRXDBF-ZFWWWQNUSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cn[nH]c1 ZINC001576159509 949522830 /nfs/dbraw/zinc/52/28/30/949522830.db2.gz XVNRDOCRIKDDAS-PIGZYNQJSA-N -1 1 382.432 1.171 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cn[nH]c1 ZINC001576159509 949522848 /nfs/dbraw/zinc/52/28/48/949522848.db2.gz XVNRDOCRIKDDAS-PIGZYNQJSA-N -1 1 382.432 1.171 20 0 GDADMM C[C@H](CNC(=O)[C@@H](C)OCc1ccccc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574950016 949522969 /nfs/dbraw/zinc/52/29/69/949522969.db2.gz JRHCWKIFKGNAJF-CHWSQXEVSA-N -1 1 382.428 1.179 20 0 GDADMM C[C@H](CNC(=O)[C@@H](C)OCc1ccccc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574950016 949522978 /nfs/dbraw/zinc/52/29/78/949522978.db2.gz JRHCWKIFKGNAJF-CHWSQXEVSA-N -1 1 382.428 1.179 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC(C)(F)F)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576163841 949541634 /nfs/dbraw/zinc/54/16/34/949541634.db2.gz CWGAQFKFSOBJCF-PWSUYJOCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC(C)(F)F)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576163841 949541648 /nfs/dbraw/zinc/54/16/48/949541648.db2.gz CWGAQFKFSOBJCF-PWSUYJOCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H]1CCCC[C@H]1OCC(=O)N(C)CCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001576163952 949543081 /nfs/dbraw/zinc/54/30/81/949543081.db2.gz DKQYHXMEYHZSEO-UONOGXRCSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@H]1CCCN(C(=O)C2CC(F)(F)C2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576164498 949555348 /nfs/dbraw/zinc/55/53/48/949555348.db2.gz GRACBXYTONYCJS-JQWIXIFHSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@H]1CCCN(C(=O)C2CC(F)(F)C2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576164498 949555353 /nfs/dbraw/zinc/55/53/53/949555353.db2.gz GRACBXYTONYCJS-JQWIXIFHSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@H]1CCCN(C(=O)C2(F)CCCC2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576164547 949556488 /nfs/dbraw/zinc/55/64/88/949556488.db2.gz HCCKZKDPFGDYFA-GXTWGEPZSA-N -1 1 388.451 1.978 20 0 GDADMM C[C@H]1CCCN(C(=O)C2(F)CCCC2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576164547 949556507 /nfs/dbraw/zinc/55/65/07/949556507.db2.gz HCCKZKDPFGDYFA-GXTWGEPZSA-N -1 1 388.451 1.978 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C=Cc2ccco2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575872876 949564274 /nfs/dbraw/zinc/56/42/74/949564274.db2.gz LUPDWOUOFQISLE-SVTFUTLMSA-N -1 1 380.412 1.437 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C=Cc2ccco2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575872876 949564291 /nfs/dbraw/zinc/56/42/91/949564291.db2.gz LUPDWOUOFQISLE-SVTFUTLMSA-N -1 1 380.412 1.437 20 0 GDADMM CC1(C(=O)N2CCC[C@](CO)(Nc3nccnc3-c3nnn[n-]3)C2)CCCC1 ZINC001575540402 949566125 /nfs/dbraw/zinc/56/61/25/949566125.db2.gz XJBIAWKFJGJWFC-SFHVURJKSA-N -1 1 386.460 1.002 20 0 GDADMM CC1(C(=O)N2CCC[C@](CO)(Nc3nccnc3-c3nn[n-]n3)C2)CCCC1 ZINC001575540402 949566138 /nfs/dbraw/zinc/56/61/38/949566138.db2.gz XJBIAWKFJGJWFC-SFHVURJKSA-N -1 1 386.460 1.002 20 0 GDADMM C[C@@H]1CCCC[C@H]1OCC(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001576166046 949571843 /nfs/dbraw/zinc/57/18/43/949571843.db2.gz KYSHMNLBXYPQGH-UKRRQHHQSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@@H]1CCCC[C@H]1OCC(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001576166046 949571864 /nfs/dbraw/zinc/57/18/64/949571864.db2.gz KYSHMNLBXYPQGH-UKRRQHHQSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1CCc2ccccc2C1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574712364 949574089 /nfs/dbraw/zinc/57/40/89/949574089.db2.gz RISPQJFYJRQVLR-CZUORRHYSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1CCc2ccccc2C1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574712364 949574100 /nfs/dbraw/zinc/57/41/00/949574100.db2.gz RISPQJFYJRQVLR-CZUORRHYSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@@H](NC(=O)CC1(c2ccccc2)CC1)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575270232 949581819 /nfs/dbraw/zinc/58/18/19/949581819.db2.gz YWFPFDDYSUMKBI-ZIAGYGMSSA-N -1 1 392.467 1.506 20 0 GDADMM C[C@H](CN(C)C(=O)C1Cc2ccccc2C1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574712866 949590681 /nfs/dbraw/zinc/59/06/81/949590681.db2.gz UJHDQOMSKFMLOP-GFCCVEGCSA-N -1 1 378.440 1.331 20 0 GDADMM C[C@H](CN(C)C(=O)C1Cc2ccccc2C1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574712866 949590693 /nfs/dbraw/zinc/59/06/93/949590693.db2.gz UJHDQOMSKFMLOP-GFCCVEGCSA-N -1 1 378.440 1.331 20 0 GDADMM C[C@@H]1CCCC[C@H]1CC(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001576166786 949592438 /nfs/dbraw/zinc/59/24/38/949592438.db2.gz AHNHRBQTYLXZRH-KGLIPLIRSA-N -1 1 388.476 1.106 20 0 GDADMM C[C@@H]1CCCC[C@H]1CC(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001576166786 949592461 /nfs/dbraw/zinc/59/24/61/949592461.db2.gz AHNHRBQTYLXZRH-KGLIPLIRSA-N -1 1 388.476 1.106 20 0 GDADMM CC1(C(=O)N2CCCC[C@H]2[C@@H]2CCCN2c2nccnc2-c2nnn[n-]2)CC1 ZINC001575544924 949593487 /nfs/dbraw/zinc/59/34/87/949593487.db2.gz HOUJUZPYTZGWMV-KBPBESRZSA-N -1 1 382.472 1.807 20 0 GDADMM CC1(C(=O)N2CCCC[C@H]2[C@@H]2CCCN2c2nccnc2-c2nn[n-]n2)CC1 ZINC001575544924 949593495 /nfs/dbraw/zinc/59/34/95/949593495.db2.gz HOUJUZPYTZGWMV-KBPBESRZSA-N -1 1 382.472 1.807 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2C=CC=CC=C2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575874097 949601884 /nfs/dbraw/zinc/60/18/84/949601884.db2.gz REGOFPALLXQYQF-HIFRSBDPSA-N -1 1 378.440 1.429 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2C=CC=CC=C2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575874097 949601898 /nfs/dbraw/zinc/60/18/98/949601898.db2.gz REGOFPALLXQYQF-HIFRSBDPSA-N -1 1 378.440 1.429 20 0 GDADMM C[C@H]1CCCN(C(=O)Cc2ccccc2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576167986 949622624 /nfs/dbraw/zinc/62/26/24/949622624.db2.gz AZPDSHZLVILFFX-HOCLYGCPSA-N -1 1 392.467 1.360 20 0 GDADMM CC1(C(=O)N2CCC[C@H]3[C@H]2CCN3c2nccnc2-c2nnn[n-]2)CCCC1 ZINC001575547014 949622495 /nfs/dbraw/zinc/62/24/95/949622495.db2.gz VLXYMMNRSDSVEO-UONOGXRCSA-N -1 1 382.472 1.807 20 0 GDADMM CC1(C(=O)N2CCC[C@H]3[C@H]2CCN3c2nccnc2-c2nn[n-]n2)CCCC1 ZINC001575547014 949622512 /nfs/dbraw/zinc/62/25/12/949622512.db2.gz VLXYMMNRSDSVEO-UONOGXRCSA-N -1 1 382.472 1.807 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccco1 ZINC001574476910 949628850 /nfs/dbraw/zinc/62/88/50/949628850.db2.gz LUHBCDHMJRBOSP-QWHCGFSZSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574476910 949628859 /nfs/dbraw/zinc/62/88/59/949628859.db2.gz LUHBCDHMJRBOSP-QWHCGFSZSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@H]1CCCC[C@H]1CC(=O)NCCN(c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001576168218 949631905 /nfs/dbraw/zinc/63/19/05/949631905.db2.gz FHUYSQMHMSLLLL-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCCC[C@H]1CC(=O)NCCN(c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001576168218 949631919 /nfs/dbraw/zinc/63/19/19/949631919.db2.gz FHUYSQMHMSLLLL-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCCC[C@@H]1CC(=O)NCCN(c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001576168220 949632699 /nfs/dbraw/zinc/63/26/99/949632699.db2.gz FHUYSQMHMSLLLL-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCCC[C@@H]1CC(=O)NCCN(c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001576168220 949632713 /nfs/dbraw/zinc/63/27/13/949632713.db2.gz FHUYSQMHMSLLLL-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CC(C)(C)C(=O)N1CCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001574129730 949642560 /nfs/dbraw/zinc/64/25/60/949642560.db2.gz WIZYVVZOBZUKRW-CYBMUJFWSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)CC(C)(C)C(=O)N1CCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001574129730 949642579 /nfs/dbraw/zinc/64/25/79/949642579.db2.gz WIZYVVZOBZUKRW-CYBMUJFWSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@@H]1CCCC[C@@H]1OCC(=O)NCC=CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576168569 949646290 /nfs/dbraw/zinc/64/62/90/949646290.db2.gz VJZQMJBDGQECSM-GRJAPKLVSA-N -1 1 386.460 1.336 20 0 GDADMM C[C@@H]1CCCC[C@@H]1OCC(=O)NCC=CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576168569 949646301 /nfs/dbraw/zinc/64/63/01/949646301.db2.gz VJZQMJBDGQECSM-GRJAPKLVSA-N -1 1 386.460 1.336 20 0 GDADMM CCC[C@@H]1CN(C(=O)NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)CCN1CCOC ZINC001589639468 949661446 /nfs/dbraw/zinc/66/14/46/949661446.db2.gz YCHBYXMXWJCJCP-RXCRORICSA-N -1 1 397.516 1.541 20 0 GDADMM C[C@H]1CCCN(C(=O)COC(C)(C)C)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576169072 949661916 /nfs/dbraw/zinc/66/19/16/949661916.db2.gz DRSVHUHAYORLKQ-GXTWGEPZSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H]1CCCN(C(=O)COC(C)(C)C)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576169072 949661931 /nfs/dbraw/zinc/66/19/31/949661931.db2.gz DRSVHUHAYORLKQ-GXTWGEPZSA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C12CCC(CC1)C2 ZINC001573815942 949666231 /nfs/dbraw/zinc/66/62/31/949666231.db2.gz MEKLMSCNKLAUGI-FWHMADFJSA-N -1 1 384.488 1.602 20 0 GDADMM C[C@@H](CN(C)C(=O)CC1(C(F)(F)F)CC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574715815 949670398 /nfs/dbraw/zinc/67/03/98/949670398.db2.gz KRVMTFDFJIXTEJ-VIFPVBQESA-N -1 1 384.366 1.070 20 0 GDADMM C[C@H](CC(=O)N(C)C[C@H](O)CNc1cncc(-c2nnn[n-]2)n1)CC(C)(C)C ZINC001574477726 949676202 /nfs/dbraw/zinc/67/62/02/949676202.db2.gz UMNYAIQYPGRPCR-CHWSQXEVSA-N -1 1 390.492 1.350 20 0 GDADMM C[C@H](CC(=O)N(C)C[C@H](O)CNc1cncc(-c2nn[n-]n2)n1)CC(C)(C)C ZINC001574477726 949676213 /nfs/dbraw/zinc/67/62/13/949676213.db2.gz UMNYAIQYPGRPCR-CHWSQXEVSA-N -1 1 390.492 1.350 20 0 GDADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1CC(F)(F)C1 ZINC001573817220 949700113 /nfs/dbraw/zinc/70/01/13/949700113.db2.gz YUPSTLXGKMQNPR-JTQLQIEISA-N -1 1 380.403 1.067 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccsc1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574959047 949704081 /nfs/dbraw/zinc/70/40/81/949704081.db2.gz PWDHUWNRCMUWBP-KGYLQXTDSA-N -1 1 384.469 1.463 20 0 GDADMM C[C@@H](NC(=O)CCc1ccc(F)cc1)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575276135 949709803 /nfs/dbraw/zinc/70/98/03/949709803.db2.gz GUESMGHSIDLMOQ-VXGBXAGGSA-N -1 1 384.419 1.734 20 0 GDADMM C[C@@H](NC(=O)CCc1ccc(F)cc1)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575276135 949709822 /nfs/dbraw/zinc/70/98/22/949709822.db2.gz GUESMGHSIDLMOQ-VXGBXAGGSA-N -1 1 384.419 1.734 20 0 GDADMM CC1(C(=O)N2C[C@@H]3CN(c4snc(Cl)c4-c4nnn[n-]4)C[C@@H]3C2)CC1 ZINC001575557230 949709886 /nfs/dbraw/zinc/70/98/86/949709886.db2.gz DUFYUTJQNUZPTL-DTORHVGOSA-N -1 1 379.877 1.671 20 0 GDADMM CC1(C(=O)N2C[C@@H]3CN(c4snc(Cl)c4-c4nn[n-]n4)C[C@@H]3C2)CC1 ZINC001575557230 949709901 /nfs/dbraw/zinc/70/99/01/949709901.db2.gz DUFYUTJQNUZPTL-DTORHVGOSA-N -1 1 379.877 1.671 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C1C=CC=CC=C1 ZINC001573818031 949711721 /nfs/dbraw/zinc/71/17/21/949711721.db2.gz FERAMYMBZZNDOS-HNNXBMFYSA-N -1 1 380.456 1.898 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C1C=CC=CC=C1 ZINC001573818031 949711741 /nfs/dbraw/zinc/71/17/41/949711741.db2.gz FERAMYMBZZNDOS-HNNXBMFYSA-N -1 1 380.456 1.898 20 0 GDADMM C[C@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001574478576 949712131 /nfs/dbraw/zinc/71/21/31/949712131.db2.gz ZBNKAXWUGBRJIA-YUELXQCFSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001574478576 949712154 /nfs/dbraw/zinc/71/21/54/949712154.db2.gz ZBNKAXWUGBRJIA-YUELXQCFSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H]1CCCN(C(=O)Cc2ccco2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576170456 949719202 /nfs/dbraw/zinc/71/92/02/949719202.db2.gz KWZMULVOWNPSKE-DOMZBBRYSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@@H]1CCCN(C(=O)Cc2ccco2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576170456 949719216 /nfs/dbraw/zinc/71/92/16/949719216.db2.gz KWZMULVOWNPSKE-DOMZBBRYSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@H]1CCCC[C@@H]1C(=O)NCC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001576170601 949729480 /nfs/dbraw/zinc/72/94/80/949729480.db2.gz MEPPANXQZWVDFS-ZFWWWQNUSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H]1CCCC[C@@H]1C(=O)NCC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001576170601 949729501 /nfs/dbraw/zinc/72/95/01/949729501.db2.gz MEPPANXQZWVDFS-ZFWWWQNUSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C(=O)N2C[C@H]3CCN(c4nccnc4-c4nnn[n-]4)C[C@H]3C2)CCCC1 ZINC001575558009 949733136 /nfs/dbraw/zinc/73/31/36/949733136.db2.gz MJZPELDCSFZYNK-KGLIPLIRSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C(=O)N2C[C@H]3CCN(c4nccnc4-c4nn[n-]n4)C[C@H]3C2)CCCC1 ZINC001575558009 949733152 /nfs/dbraw/zinc/73/31/52/949733152.db2.gz MJZPELDCSFZYNK-KGLIPLIRSA-N -1 1 382.472 1.522 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H]1C[C@@H]1C(F)F ZINC001573819012 949745950 /nfs/dbraw/zinc/74/59/50/949745950.db2.gz QVRDIVNXZWXLTE-QXEWZRGKSA-N -1 1 380.403 1.501 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H]1C[C@@H]1C(F)F ZINC001573819012 949745968 /nfs/dbraw/zinc/74/59/68/949745968.db2.gz QVRDIVNXZWXLTE-QXEWZRGKSA-N -1 1 380.403 1.501 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001574480234 949750017 /nfs/dbraw/zinc/75/00/17/949750017.db2.gz HTROEBRRCBBAEP-QWHCGFSZSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001574480234 949750030 /nfs/dbraw/zinc/75/00/30/949750030.db2.gz HTROEBRRCBBAEP-QWHCGFSZSA-N -1 1 382.428 1.481 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N1CC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001574137492 949757216 /nfs/dbraw/zinc/75/72/16/949757216.db2.gz UQYFJFRFAXQTBV-OFQRWUPVSA-N -1 1 384.488 1.766 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N1CC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001574137492 949757230 /nfs/dbraw/zinc/75/72/30/949757230.db2.gz UQYFJFRFAXQTBV-OFQRWUPVSA-N -1 1 384.488 1.766 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001574480854 949758083 /nfs/dbraw/zinc/75/80/83/949758083.db2.gz KRXRJGHUZXUAHD-KBPBESRZSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001574480854 949758096 /nfs/dbraw/zinc/75/80/96/949758096.db2.gz KRXRJGHUZXUAHD-KBPBESRZSA-N -1 1 381.444 1.370 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N1CC[C@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574137499 949761289 /nfs/dbraw/zinc/76/12/89/949761289.db2.gz VAONAKGKXRHAOV-IFXJQAMLSA-N -1 1 386.504 1.801 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C1(C)CCOCC1 ZINC001575559654 949764314 /nfs/dbraw/zinc/76/43/14/949764314.db2.gz XMGQGPXVTFSXCL-GFCCVEGCSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C1(C)CCOCC1 ZINC001575559654 949764333 /nfs/dbraw/zinc/76/43/33/949764333.db2.gz XMGQGPXVTFSXCL-GFCCVEGCSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@H]1CCCN(C(=O)Cc2ccccc2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576171463 949769695 /nfs/dbraw/zinc/76/96/95/949769695.db2.gz QVGKHCJVDYLRIF-YOEHRIQHSA-N -1 1 392.467 1.938 20 0 GDADMM C[C@H]1CCCN(C(=O)Cc2ccccc2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576171463 949769718 /nfs/dbraw/zinc/76/97/18/949769718.db2.gz QVGKHCJVDYLRIF-YOEHRIQHSA-N -1 1 392.467 1.938 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CC[C@H]1CCOC1 ZINC001573821853 949777802 /nfs/dbraw/zinc/77/78/02/949777802.db2.gz DRRCFNSXAFATRY-STQMWFEESA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CC[C@H]1CCOC1 ZINC001573821853 949777825 /nfs/dbraw/zinc/77/78/25/949777825.db2.gz DRRCFNSXAFATRY-STQMWFEESA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@H](C)CC(=O)NC[C@H]1COCCN1c1nccnc1-c1nnn[n-]1 ZINC001574138428 949787495 /nfs/dbraw/zinc/78/74/95/949787495.db2.gz CGOHWNQVPVJQSB-KBPBESRZSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)C[C@H](C)CC(=O)NC[C@H]1COCCN1c1nccnc1-c1nn[n-]n1 ZINC001574138428 949787504 /nfs/dbraw/zinc/78/75/04/949787504.db2.gz CGOHWNQVPVJQSB-KBPBESRZSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@@H](CN(C)C(=O)CCc1ccccc1F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574720784 949805692 /nfs/dbraw/zinc/80/56/92/949805692.db2.gz HDWQLXBSIZKFOE-LBPRGKRZSA-N -1 1 384.419 1.109 20 0 GDADMM C[C@@H]1CCCN(C(=O)CCC(F)F)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576172830 949820123 /nfs/dbraw/zinc/82/01/23/949820123.db2.gz YNQVCDVZZBYJKH-ZYHUDNBSSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H]1CCCN(C(=O)CCC(F)F)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576172830 949820141 /nfs/dbraw/zinc/82/01/41/949820141.db2.gz YNQVCDVZZBYJKH-ZYHUDNBSSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CN(C)C(=O)CCCc1ccccc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574722187 949829488 /nfs/dbraw/zinc/82/94/88/949829488.db2.gz QWEVWYKQWRWHQJ-AWEZNQCLSA-N -1 1 380.456 1.938 20 0 GDADMM C[C@@H](CN(C)C(=O)CCCc1ccccc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574722187 949829502 /nfs/dbraw/zinc/82/95/02/949829502.db2.gz QWEVWYKQWRWHQJ-AWEZNQCLSA-N -1 1 380.456 1.938 20 0 GDADMM CC1(C(=O)N[C@H]2CC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)CC(F)(F)C1 ZINC001575562995 949830294 /nfs/dbraw/zinc/83/02/94/949830294.db2.gz IYAWBCOTPRBILJ-QWRGUYRKSA-N -1 1 392.414 1.789 20 0 GDADMM CC1(C(=O)N[C@H]2CC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)CC(F)(F)C1 ZINC001575562995 949830315 /nfs/dbraw/zinc/83/03/15/949830315.db2.gz IYAWBCOTPRBILJ-QWRGUYRKSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@H](CN(C)C(=O)CCCc1ccsc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574722471 949835708 /nfs/dbraw/zinc/83/57/08/949835708.db2.gz SGUHAQAKYAIVJY-GFCCVEGCSA-N -1 1 386.485 2.000 20 0 GDADMM C[C@H](CN(C)C(=O)CCCc1ccsc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574722471 949835734 /nfs/dbraw/zinc/83/57/34/949835734.db2.gz SGUHAQAKYAIVJY-GFCCVEGCSA-N -1 1 386.485 2.000 20 0 GDADMM CC1(C(=O)N[C@@H]2CCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)CC(F)(F)C1 ZINC001575563957 949849133 /nfs/dbraw/zinc/84/91/33/949849133.db2.gz NGDNFGAJHRODBW-GHMZBOCLSA-N -1 1 392.414 1.789 20 0 GDADMM CC1(C(=O)N[C@@H]2CCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)CC(F)(F)C1 ZINC001575563957 949849154 /nfs/dbraw/zinc/84/91/54/949849154.db2.gz NGDNFGAJHRODBW-GHMZBOCLSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@@H]1CCCC[C@@H]1CC(=O)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001576173875 949851147 /nfs/dbraw/zinc/85/11/47/949851147.db2.gz ZNYHBOSERNDXTA-HUUCEWRRSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@@H]1CCCC[C@@H]1CC(=O)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001576173875 949851169 /nfs/dbraw/zinc/85/11/69/949851169.db2.gz ZNYHBOSERNDXTA-HUUCEWRRSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@@H](NC(=O)Cc1c(F)cccc1F)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575283436 949871123 /nfs/dbraw/zinc/87/11/23/949871123.db2.gz OVQOSBZLRCRIRT-ZJUUUORDSA-N -1 1 388.382 1.483 20 0 GDADMM C[C@@H](NC(=O)Cc1c(F)cccc1F)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575283436 949871153 /nfs/dbraw/zinc/87/11/53/949871153.db2.gz OVQOSBZLRCRIRT-ZJUUUORDSA-N -1 1 388.382 1.483 20 0 GDADMM CC(C)(C)C1CC(C(=O)N2CCC(Nc3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001573825288 949872375 /nfs/dbraw/zinc/87/23/75/949872375.db2.gz QIYJCWGIPRVHJL-UHFFFAOYSA-N -1 1 384.488 1.554 20 0 GDADMM CC(C)(C)C1CC(C(=O)N2CCCN(c3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001573825344 949873011 /nfs/dbraw/zinc/87/30/11/949873011.db2.gz STLPVIXLMBGAJQ-UHFFFAOYSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cncs2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576178521 949894402 /nfs/dbraw/zinc/89/44/02/949894402.db2.gz BXKVHVUORNVWQY-CMPLNLGQSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cncs2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576178521 949894424 /nfs/dbraw/zinc/89/44/24/949894424.db2.gz BXKVHVUORNVWQY-CMPLNLGQSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@]1(C(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)CCCOC1 ZINC001575569084 949907535 /nfs/dbraw/zinc/90/75/35/949907535.db2.gz FTGVSXVDMQTUNQ-IFXJQAMLSA-N -1 1 388.447 1.513 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574144313 949910574 /nfs/dbraw/zinc/91/05/74/949910574.db2.gz NTAFQOSGVRTBKU-MCIONIFRSA-N -1 1 388.476 1.557 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574144313 949910597 /nfs/dbraw/zinc/91/05/97/949910597.db2.gz NTAFQOSGVRTBKU-MCIONIFRSA-N -1 1 388.476 1.557 20 0 GDADMM CC(C)(C)/C=C\C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001573827254 949918141 /nfs/dbraw/zinc/91/81/41/949918141.db2.gz LCJZAMLKUUJUFH-OOBDJQDNSA-N -1 1 382.472 1.733 20 0 GDADMM CC(C)(C)/C=C\C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001573827254 949918166 /nfs/dbraw/zinc/91/81/66/949918166.db2.gz LCJZAMLKUUJUFH-OOBDJQDNSA-N -1 1 382.472 1.733 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H](C)[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001574487649 949931371 /nfs/dbraw/zinc/93/13/71/949931371.db2.gz APPKLFARHOLFGO-GZBFAFLISA-N -1 1 384.488 1.411 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2cc(Cl)no2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575889843 949935727 /nfs/dbraw/zinc/93/57/27/949935727.db2.gz UIMNTUJHZCOXIN-IUCAKERBSA-N -1 1 389.807 1.085 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2cc(Cl)no2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575889843 949935745 /nfs/dbraw/zinc/93/57/45/949935745.db2.gz UIMNTUJHZCOXIN-IUCAKERBSA-N -1 1 389.807 1.085 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574146282 949942293 /nfs/dbraw/zinc/94/22/93/949942293.db2.gz XIPCMCSKVMROKA-KGLIPLIRSA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574146282 949942305 /nfs/dbraw/zinc/94/23/05/949942305.db2.gz XIPCMCSKVMROKA-KGLIPLIRSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CN(C)C(=O)COc1ccccc1F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574727256 949959286 /nfs/dbraw/zinc/95/92/86/949959286.db2.gz QRWXKHDBNYNKTB-LLVKDONJSA-N -1 1 386.391 1.134 20 0 GDADMM C[C@H](CN(C)C(=O)COc1ccccc1F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574727256 949959303 /nfs/dbraw/zinc/95/93/03/949959303.db2.gz QRWXKHDBNYNKTB-LLVKDONJSA-N -1 1 386.391 1.134 20 0 GDADMM C[C@H](CC(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)n1cccc1 ZINC001574490382 949988413 /nfs/dbraw/zinc/98/84/13/949988413.db2.gz QNBHGDYGBPDZBN-TZMCWYRMSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](CC(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)n1cccc1 ZINC001574490382 949988435 /nfs/dbraw/zinc/98/84/35/949988435.db2.gz QNBHGDYGBPDZBN-TZMCWYRMSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](CC(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)n1cccc1 ZINC001574490379 949990139 /nfs/dbraw/zinc/99/01/39/949990139.db2.gz QNBHGDYGBPDZBN-GXTWGEPZSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](CC(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)n1cccc1 ZINC001574490379 949990162 /nfs/dbraw/zinc/99/01/62/949990162.db2.gz QNBHGDYGBPDZBN-GXTWGEPZSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2ccc(Cl)o2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575891260 949996525 /nfs/dbraw/zinc/99/65/25/949996525.db2.gz HCFIYTBXYBCJRO-NXEZZACHSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2ccc(Cl)o2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575891260 949996545 /nfs/dbraw/zinc/99/65/45/949996545.db2.gz HCFIYTBXYBCJRO-NXEZZACHSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccoc2)[C@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576181313 949996610 /nfs/dbraw/zinc/99/66/10/949996610.db2.gz LPLAUKQGPMRCIJ-WFASDCNBSA-N -1 1 382.428 1.993 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccoc2)[C@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576181313 949996629 /nfs/dbraw/zinc/99/66/29/949996629.db2.gz LPLAUKQGPMRCIJ-WFASDCNBSA-N -1 1 382.428 1.993 20 0 GDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](C)NC(=O)Cc1cccc(Cl)c1 ZINC001575289607 949998540 /nfs/dbraw/zinc/99/85/40/949998540.db2.gz AJONXQZCPZXXJF-MNOVXSKESA-N -1 1 386.847 1.858 20 0 GDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](C)NC(=O)Cc1cccc(Cl)c1 ZINC001575289607 949998565 /nfs/dbraw/zinc/99/85/65/949998565.db2.gz AJONXQZCPZXXJF-MNOVXSKESA-N -1 1 386.847 1.858 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001574490599 950005904 /nfs/dbraw/zinc/00/59/04/950005904.db2.gz VZPLNVFJAWVTNI-JHJVBQTASA-N -1 1 382.428 1.702 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001574490599 950005927 /nfs/dbraw/zinc/00/59/27/950005927.db2.gz VZPLNVFJAWVTNI-JHJVBQTASA-N -1 1 382.428 1.702 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1cccc(F)c1F)Nc1nccnc1-c1nnn[n-]1 ZINC001574728739 950007115 /nfs/dbraw/zinc/00/71/15/950007115.db2.gz IUWQDKZLGPHBTD-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1cccc(F)c1F)Nc1nccnc1-c1nn[n-]n1 ZINC001574728739 950007137 /nfs/dbraw/zinc/00/71/37/950007137.db2.gz IUWQDKZLGPHBTD-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H]1CCN(C(=O)CC(F)(F)F)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576181465 950007636 /nfs/dbraw/zinc/00/76/36/950007636.db2.gz IHUCYCJYWSWJEK-NXEZZACHSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@@H]1CCN(C(=O)CC(F)(F)F)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576181465 950007658 /nfs/dbraw/zinc/00/76/58/950007658.db2.gz IHUCYCJYWSWJEK-NXEZZACHSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1cnoc1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574728830 950010671 /nfs/dbraw/zinc/01/06/71/950010671.db2.gz KJPZVURYTVKCAH-ZETCQYMHSA-N -1 1 382.837 1.466 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1cnoc1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574728830 950010696 /nfs/dbraw/zinc/01/06/96/950010696.db2.gz KJPZVURYTVKCAH-ZETCQYMHSA-N -1 1 382.837 1.466 20 0 GDADMM C[C@@H]1CCN(C(=O)Cc2ccoc2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576181623 950012108 /nfs/dbraw/zinc/01/21/08/950012108.db2.gz IOFIZRCNLLUQIG-OCCSQVGLSA-N -1 1 382.428 1.389 20 0 GDADMM C[C@@H]1CCN(C(=O)Cc2ccoc2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576181623 950012130 /nfs/dbraw/zinc/01/21/30/950012130.db2.gz IOFIZRCNLLUQIG-OCCSQVGLSA-N -1 1 382.428 1.389 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1cc(F)ccc1F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574729075 950014347 /nfs/dbraw/zinc/01/43/47/950014347.db2.gz NDQCFUYRWWJEHG-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1cc(F)ccc1F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574729075 950014370 /nfs/dbraw/zinc/01/43/70/950014370.db2.gz NDQCFUYRWWJEHG-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](CC(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)n1cccc1 ZINC001574490718 950014915 /nfs/dbraw/zinc/01/49/15/950014915.db2.gz XOUUANSZXCKODE-WFASDCNBSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](CC(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)n1cccc1 ZINC001574490718 950014939 /nfs/dbraw/zinc/01/49/39/950014939.db2.gz XOUUANSZXCKODE-WFASDCNBSA-N -1 1 381.444 1.416 20 0 GDADMM CC(C)(C)CC(=O)N[C@@H]1COC2(CN(Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001573835191 950037364 /nfs/dbraw/zinc/03/73/64/950037364.db2.gz QLIKMTVNSZVXIH-LBPRGKRZSA-N -1 1 390.513 1.824 20 0 GDADMM C[C@@]1(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)nn3)CC2)CCc2ccccc21 ZINC001575575092 950042187 /nfs/dbraw/zinc/04/21/87/950042187.db2.gz DQUPMZUTMQRPJX-LJQANCHMSA-N -1 1 390.451 1.622 20 0 GDADMM C[C@@]1(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)nn3)CC2)CCc2ccccc21 ZINC001575575092 950042209 /nfs/dbraw/zinc/04/22/09/950042209.db2.gz DQUPMZUTMQRPJX-LJQANCHMSA-N -1 1 390.451 1.622 20 0 GDADMM C[C@H]1CCN(C(=O)C(C)(C)C2CC2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576182412 950051671 /nfs/dbraw/zinc/05/16/71/950051671.db2.gz ZQJXSISDMODMKT-STQMWFEESA-N -1 1 384.488 1.411 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1cccnc1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574731526 950054014 /nfs/dbraw/zinc/05/40/14/950054014.db2.gz WKQNLIRSKONKTM-SECBINFHSA-N -1 1 392.876 1.873 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1cccnc1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574731526 950054037 /nfs/dbraw/zinc/05/40/37/950054037.db2.gz WKQNLIRSKONKTM-SECBINFHSA-N -1 1 392.876 1.873 20 0 GDADMM C[C@@H]1CCN(C(=O)Cc2ccc[nH]2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576182925 950069646 /nfs/dbraw/zinc/06/96/46/950069646.db2.gz OAXFPPYBWHRYNB-OLZOCXBDSA-N -1 1 381.444 1.124 20 0 GDADMM C[C@@H]1CCN(C(=O)Cc2ccc[nH]2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576182925 950069663 /nfs/dbraw/zinc/06/96/63/950069663.db2.gz OAXFPPYBWHRYNB-OLZOCXBDSA-N -1 1 381.444 1.124 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H](C)Cc1ccccc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574733266 950106992 /nfs/dbraw/zinc/10/69/92/950106992.db2.gz XESGNAJRFHNQSX-KBPBESRZSA-N -1 1 380.456 1.794 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H](C)Cc1ccccc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574733266 950107001 /nfs/dbraw/zinc/10/70/01/950107001.db2.gz XESGNAJRFHNQSX-KBPBESRZSA-N -1 1 380.456 1.794 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C1CCCCC1 ZINC001574492959 950109334 /nfs/dbraw/zinc/10/93/34/950109334.db2.gz PUJCSEZTGIJDEX-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ccoc2Cl)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575895293 950112486 /nfs/dbraw/zinc/11/24/86/950112486.db2.gz IEOFFJKXGWWAJH-KOLCDFICSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ccoc2Cl)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575895293 950112501 /nfs/dbraw/zinc/11/25/01/950112501.db2.gz IEOFFJKXGWWAJH-KOLCDFICSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@H]1CCN(C(=O)C2CC(F)(F)C2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576184103 950120592 /nfs/dbraw/zinc/12/05/92/950120592.db2.gz TYGJRLNTUAVRIZ-JQWIXIFHSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H]1CCN(C(=O)C2CC(F)(F)C2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576184103 950120608 /nfs/dbraw/zinc/12/06/08/950120608.db2.gz TYGJRLNTUAVRIZ-JQWIXIFHSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(F)CCCC2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576184642 950136176 /nfs/dbraw/zinc/13/61/76/950136176.db2.gz WPDIRLZWAJUUPY-CHWSQXEVSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(F)CCCC2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576184642 950136188 /nfs/dbraw/zinc/13/61/88/950136188.db2.gz WPDIRLZWAJUUPY-CHWSQXEVSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cccn2C)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576184991 950151314 /nfs/dbraw/zinc/15/13/14/950151314.db2.gz YDVLYSSPPIWUDB-DOMZBBRYSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cccn2C)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576184991 950151323 /nfs/dbraw/zinc/15/13/23/950151323.db2.gz YDVLYSSPPIWUDB-DOMZBBRYSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccon2)[C@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576185013 950152812 /nfs/dbraw/zinc/15/28/12/950152812.db2.gz YJXLRKBZIJHNMD-RISCZKNCSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccon2)[C@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576185013 950152824 /nfs/dbraw/zinc/15/28/24/950152824.db2.gz YJXLRKBZIJHNMD-RISCZKNCSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574735024 950155780 /nfs/dbraw/zinc/15/57/80/950155780.db2.gz XNJJIYJKUOEMMU-RBXMUDONSA-N -1 1 383.865 1.128 20 0 GDADMM C[C@@H](CC(=O)NC1(CCO)CN(Cc2ccc(-c3nn[n-]n3)s2)C1)C1CC1 ZINC001574494262 950161351 /nfs/dbraw/zinc/16/13/51/950161351.db2.gz YIBULCNNUKVHBC-LBPRGKRZSA-N -1 1 390.513 1.417 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CSC(C)C ZINC001574154644 950172731 /nfs/dbraw/zinc/17/27/31/950172731.db2.gz FRACYWYNPZGBAO-LBPRGKRZSA-N -1 1 378.506 1.741 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CSC(C)C ZINC001574154644 950172746 /nfs/dbraw/zinc/17/27/46/950172746.db2.gz FRACYWYNPZGBAO-LBPRGKRZSA-N -1 1 378.506 1.741 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cc(Cl)no1 ZINC001574154670 950175384 /nfs/dbraw/zinc/17/53/84/950175384.db2.gz FVWMAADXICGDDS-SECBINFHSA-N -1 1 391.823 1.555 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cc(Cl)no1 ZINC001574154670 950175402 /nfs/dbraw/zinc/17/54/02/950175402.db2.gz FVWMAADXICGDDS-SECBINFHSA-N -1 1 391.823 1.555 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CC[C@@H]1CCOC1 ZINC001574155019 950182111 /nfs/dbraw/zinc/18/21/11/950182111.db2.gz IABSTRGIYMLRDC-ZIAGYGMSSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CC[C@@H]1CCOC1 ZINC001574155019 950182128 /nfs/dbraw/zinc/18/21/28/950182128.db2.gz IABSTRGIYMLRDC-ZIAGYGMSSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@]1(C(=O)NC[C@@H]2[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)CC=CCC1 ZINC001575585469 950193183 /nfs/dbraw/zinc/19/31/83/950193183.db2.gz ZWURDIANEVBSKJ-PJHJGJPPSA-N -1 1 380.456 1.202 20 0 GDADMM C[C@]1(C(=O)NC[C@@H]2[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)CC=CCC1 ZINC001575585469 950193195 /nfs/dbraw/zinc/19/31/95/950193195.db2.gz ZWURDIANEVBSKJ-PJHJGJPPSA-N -1 1 380.456 1.202 20 0 GDADMM CC1(C(=O)NC[C@@H]2[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)CCCCC1 ZINC001575585450 950193225 /nfs/dbraw/zinc/19/32/25/950193225.db2.gz ZHVCBRYNCOMIML-ZSOGYDGISA-N -1 1 382.472 1.426 20 0 GDADMM CC1(C(=O)NC[C@@H]2[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)CCCCC1 ZINC001575585450 950193240 /nfs/dbraw/zinc/19/32/40/950193240.db2.gz ZHVCBRYNCOMIML-ZSOGYDGISA-N -1 1 382.472 1.426 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1 ZINC001573844544 950196729 /nfs/dbraw/zinc/19/67/29/950196729.db2.gz BGEPEOHOASNQJP-XDQVBPFNSA-N -1 1 382.472 1.519 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1 ZINC001573844544 950196739 /nfs/dbraw/zinc/19/67/39/950196739.db2.gz BGEPEOHOASNQJP-XDQVBPFNSA-N -1 1 382.472 1.519 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2sccc2F)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575900672 950203298 /nfs/dbraw/zinc/20/32/98/950203298.db2.gz HDXYMIWNPIQKDX-MWLCHTKSSA-N -1 1 388.432 1.645 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2sccc2F)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575900672 950203315 /nfs/dbraw/zinc/20/33/15/950203315.db2.gz HDXYMIWNPIQKDX-MWLCHTKSSA-N -1 1 388.432 1.645 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2occc2Cl)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575900701 950206221 /nfs/dbraw/zinc/20/62/21/950206221.db2.gz HRMNUTQCDFZQNB-ONGXEEELSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2occc2Cl)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575900701 950206240 /nfs/dbraw/zinc/20/62/40/950206240.db2.gz HRMNUTQCDFZQNB-ONGXEEELSA-N -1 1 388.819 1.690 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cc(Cl)c[nH]1 ZINC001574155667 950206820 /nfs/dbraw/zinc/20/68/20/950206820.db2.gz PXBHSGUTMGYIDD-NSHDSACASA-N -1 1 389.851 1.895 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cc(Cl)c[nH]1 ZINC001574155667 950206835 /nfs/dbraw/zinc/20/68/35/950206835.db2.gz PXBHSGUTMGYIDD-NSHDSACASA-N -1 1 389.851 1.895 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccccn2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576191740 950210067 /nfs/dbraw/zinc/21/00/67/950210067.db2.gz JPUHZJBVESUASC-QWHCGFSZSA-N -1 1 379.428 1.262 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccccn2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576191740 950210077 /nfs/dbraw/zinc/21/00/77/950210077.db2.gz JPUHZJBVESUASC-QWHCGFSZSA-N -1 1 379.428 1.262 20 0 GDADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1CC(F)(F)C1 ZINC001574155794 950212022 /nfs/dbraw/zinc/21/20/22/950212022.db2.gz RQOGSCDOPBBRAH-NSHDSACASA-N -1 1 380.403 1.067 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)COC(C)(C)C ZINC001574156036 950221753 /nfs/dbraw/zinc/22/17/53/950221753.db2.gz UVXVOOFVFRKBLG-GFCCVEGCSA-N -1 1 376.465 1.415 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)COC(C)(C)C ZINC001574156036 950221769 /nfs/dbraw/zinc/22/17/69/950221769.db2.gz UVXVOOFVFRKBLG-GFCCVEGCSA-N -1 1 376.465 1.415 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1)C1CCCCC1 ZINC001574497684 950239144 /nfs/dbraw/zinc/23/91/44/950239144.db2.gz AZRFXHKNLWGHJI-JSGCOSHPSA-N -1 1 388.476 1.152 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1)C1CCCCC1 ZINC001574497684 950239160 /nfs/dbraw/zinc/23/91/60/950239160.db2.gz AZRFXHKNLWGHJI-JSGCOSHPSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C[C@@H]1CCCCO1 ZINC001574157882 950259548 /nfs/dbraw/zinc/25/95/48/950259548.db2.gz KMZRFCJKISXETJ-KGLIPLIRSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@@H]1CCCCO1 ZINC001574157882 950259569 /nfs/dbraw/zinc/25/95/69/950259569.db2.gz KMZRFCJKISXETJ-KGLIPLIRSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1C[C@@H]1c1ccccc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574742081 950262711 /nfs/dbraw/zinc/26/27/11/950262711.db2.gz LCHFQHOQROPRBQ-YUELXQCFSA-N -1 1 378.440 1.141 20 0 GDADMM C[C@H]1C[C@H](NS(=O)(=O)c2n[nH]cc2C(=O)[O-])CCN1Cc1ccccc1 ZINC000379617735 971648711 /nfs/dbraw/zinc/64/87/11/971648711.db2.gz NNLHUGRGQCPEDG-GXTWGEPZSA-N -1 1 378.454 1.439 20 0 GDADMM CC1(C(=O)NCC2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)CC(F)(F)C1 ZINC001575589931 950271901 /nfs/dbraw/zinc/27/19/01/950271901.db2.gz YWBXMSJVVKYQOA-UHFFFAOYSA-N -1 1 392.414 1.425 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CCc1ccon1 ZINC001574158280 950277081 /nfs/dbraw/zinc/27/70/81/950277081.db2.gz QEVFOOUETAHBPO-ZDUSSCGKSA-N -1 1 385.432 1.220 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CCc1ccon1 ZINC001574158280 950277098 /nfs/dbraw/zinc/27/70/98/950277098.db2.gz QEVFOOUETAHBPO-ZDUSSCGKSA-N -1 1 385.432 1.220 20 0 GDADMM CC1(C(=O)NCC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CC(F)(F)C1 ZINC001575592261 950281266 /nfs/dbraw/zinc/28/12/66/950281266.db2.gz FQJHNEBWUISSBP-LLVKDONJSA-N -1 1 392.414 1.425 20 0 GDADMM CC1(C(=O)NCC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC(F)(F)C1 ZINC001575592261 950281292 /nfs/dbraw/zinc/28/12/92/950281292.db2.gz FQJHNEBWUISSBP-LLVKDONJSA-N -1 1 392.414 1.425 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C1(CCF)CC1 ZINC001574158807 950290362 /nfs/dbraw/zinc/29/03/62/950290362.db2.gz SZCYQPBGOGFARJ-LBPRGKRZSA-N -1 1 376.440 1.739 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C1(CCF)CC1 ZINC001574158807 950290375 /nfs/dbraw/zinc/29/03/75/950290375.db2.gz SZCYQPBGOGFARJ-LBPRGKRZSA-N -1 1 376.440 1.739 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1csc(=O)[nH]1 ZINC001574158823 950292268 /nfs/dbraw/zinc/29/22/68/950292268.db2.gz CLOHLJVUNHZTAV-SECBINFHSA-N -1 1 389.445 1.075 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1Cc2ccccc21 ZINC001574159737 950314259 /nfs/dbraw/zinc/31/42/59/950314259.db2.gz HXBKFZRIYKDTJT-GDBMZVCRSA-N -1 1 392.467 1.939 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1Cc2ccccc21 ZINC001574159737 950314284 /nfs/dbraw/zinc/31/42/84/950314284.db2.gz HXBKFZRIYKDTJT-GDBMZVCRSA-N -1 1 392.467 1.939 20 0 GDADMM CC1(C(=O)NC[C@@H]2COCCN2Cc2ccc(-c3nn[n-]n3)s2)CCC1 ZINC001575594078 950329651 /nfs/dbraw/zinc/32/96/51/950329651.db2.gz JNVVQCASQYPXRE-GFCCVEGCSA-N -1 1 376.486 1.435 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001574501496 950335504 /nfs/dbraw/zinc/33/55/04/950335504.db2.gz DXJBFTMIQPYWON-ZBFHGGJFSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001574501496 950335525 /nfs/dbraw/zinc/33/55/25/950335525.db2.gz DXJBFTMIQPYWON-ZBFHGGJFSA-N -1 1 392.467 1.936 20 0 GDADMM CC(C)(C)OC(=O)N1CCC(C)(C)[C@H]1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001573854020 950335921 /nfs/dbraw/zinc/33/59/21/950335921.db2.gz WVBLLVVELHWDBF-SNVBAGLBSA-N -1 1 376.421 1.564 20 0 GDADMM CC(C)(C)OC(=O)N1CCC(C)(C)[C@H]1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001573854020 950335941 /nfs/dbraw/zinc/33/59/41/950335941.db2.gz WVBLLVVELHWDBF-SNVBAGLBSA-N -1 1 376.421 1.564 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccn(C)c2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576194472 950342968 /nfs/dbraw/zinc/34/29/68/950342968.db2.gz ZEKFLFBUHWIVBT-GXTWGEPZSA-N -1 1 381.444 1.206 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccn(C)c2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576194472 950342990 /nfs/dbraw/zinc/34/29/90/950342990.db2.gz ZEKFLFBUHWIVBT-GXTWGEPZSA-N -1 1 381.444 1.206 20 0 GDADMM CCN(C)Cc1cc(O[C@H]2CCN(C(=O)C3(C(=O)[O-])CCOCC3)C2)ccn1 ZINC001589715594 950375032 /nfs/dbraw/zinc/37/50/32/950375032.db2.gz VURLDHPNIYWZEF-KRWDZBQOSA-N -1 1 391.468 1.394 20 0 GDADMM CC1(C(=O)NC[C@H]2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CCOCC1 ZINC001575596574 950376742 /nfs/dbraw/zinc/37/67/42/950376742.db2.gz GJYGBFQYYUQXMM-QWHCGFSZSA-N -1 1 386.460 1.170 20 0 GDADMM CC1(C(=O)NC[C@H]2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CCOCC1 ZINC001575596574 950376765 /nfs/dbraw/zinc/37/67/65/950376765.db2.gz GJYGBFQYYUQXMM-QWHCGFSZSA-N -1 1 386.460 1.170 20 0 GDADMM CC(C)CC1(C(=O)N(C)C[C@@H](O)CNc2cncc(-c3nnn[n-]3)n2)CCC1 ZINC001574162583 950390950 /nfs/dbraw/zinc/39/09/50/950390950.db2.gz DORZXUDSIWGWTB-ZDUSSCGKSA-N -1 1 388.476 1.104 20 0 GDADMM CC(C)CC1(C(=O)N(C)C[C@@H](O)CNc2cncc(-c3nn[n-]n3)n2)CCC1 ZINC001574162583 950390968 /nfs/dbraw/zinc/39/09/68/950390968.db2.gz DORZXUDSIWGWTB-ZDUSSCGKSA-N -1 1 388.476 1.104 20 0 GDADMM C[C@@]1(C(=O)NC[C@]23CCC[C@H]2N(c2cncc(-c4nnn[n-]4)n2)CC3)C=CCC1 ZINC001575597372 950412663 /nfs/dbraw/zinc/41/26/63/950412663.db2.gz PUHPFFMKGKINBF-CDHQVMDDSA-N -1 1 394.483 1.878 20 0 GDADMM C[C@@]1(C(=O)NC[C@]23CCC[C@H]2N(c2cncc(-c4nn[n-]n4)n2)CC3)C=CCC1 ZINC001575597372 950412686 /nfs/dbraw/zinc/41/26/86/950412686.db2.gz PUHPFFMKGKINBF-CDHQVMDDSA-N -1 1 394.483 1.878 20 0 GDADMM CCN(CC)C(=O)CN1CCC(NC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)CC1 ZINC001589721419 950429526 /nfs/dbraw/zinc/42/95/26/950429526.db2.gz URLXUNKWCHYRPN-UHFFFAOYSA-N -1 1 381.517 1.572 20 0 GDADMM C[C@]1(C(=O)N[C@@H]2CCCC[C@H]2Nc2ccc(-c3nnn[n-]3)nn2)CCCOC1 ZINC001575600065 950435285 /nfs/dbraw/zinc/43/52/85/950435285.db2.gz PKUWUJBKNKRWFO-VFVRVIDISA-N -1 1 386.460 1.313 20 0 GDADMM C[C@]1(C(=O)N[C@@H]2CCCC[C@H]2Nc2ccc(-c3nn[n-]n3)nn2)CCCOC1 ZINC001575600065 950435297 /nfs/dbraw/zinc/43/52/97/950435297.db2.gz PKUWUJBKNKRWFO-VFVRVIDISA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc2c([nH]1)CCCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001574751026 950448435 /nfs/dbraw/zinc/44/84/35/950448435.db2.gz KFHMUZSDZOOGPJ-LLVKDONJSA-N -1 1 381.444 1.436 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc2c([nH]1)CCCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001574751026 950448444 /nfs/dbraw/zinc/44/84/44/950448444.db2.gz KFHMUZSDZOOGPJ-LLVKDONJSA-N -1 1 381.444 1.436 20 0 GDADMM CC(C)CC1(C(=O)NC[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CCC1 ZINC001574166134 950460611 /nfs/dbraw/zinc/46/06/11/950460611.db2.gz NLOSFFUDYZTOHD-AWEZNQCLSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](CC(=O)NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1)C(F)(F)F ZINC001574507597 950460998 /nfs/dbraw/zinc/46/09/98/950460998.db2.gz GFFLASLFHUCJSZ-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](CC(=O)NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1)C(F)(F)F ZINC001574507597 950461011 /nfs/dbraw/zinc/46/10/11/950461011.db2.gz GFFLASLFHUCJSZ-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@]1(C(=O)N[C@H]2CC[C@H](CNc3cncc(-c4nnn[n-]4)n3)CC2)CCOC1 ZINC001575605542 950468714 /nfs/dbraw/zinc/46/87/14/950468714.db2.gz LIIQIZLFHPHCIK-LXIYXOSZSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@]1(C(=O)N[C@H]2CC[C@H](CNc3cncc(-c4nn[n-]n4)n3)CC2)CCOC1 ZINC001575605542 950468731 /nfs/dbraw/zinc/46/87/31/950468731.db2.gz LIIQIZLFHPHCIK-LXIYXOSZSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc2c(s1)CCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001574751956 950469623 /nfs/dbraw/zinc/46/96/23/950469623.db2.gz SCBQGTIAPVQBGR-JTQLQIEISA-N -1 1 384.469 1.780 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc2c(s1)CCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001574751956 950469630 /nfs/dbraw/zinc/46/96/30/950469630.db2.gz SCBQGTIAPVQBGR-JTQLQIEISA-N -1 1 384.469 1.780 20 0 GDADMM CC1(C(=O)N[C@@H]2Cc3ccccc3[C@H]2Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575605683 950478583 /nfs/dbraw/zinc/47/85/83/950478583.db2.gz TWBKUXZDGITIFH-UKRRQHHQSA-N -1 1 376.424 1.073 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1ccccc1 ZINC001575913107 950478995 /nfs/dbraw/zinc/47/89/95/950478995.db2.gz ILASEXBNDRASKY-UKRRQHHQSA-N -1 1 378.440 1.691 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCc1ccccc1 ZINC001575913107 950479005 /nfs/dbraw/zinc/47/90/05/950479005.db2.gz ILASEXBNDRASKY-UKRRQHHQSA-N -1 1 378.440 1.691 20 0 GDADMM CC(C)(C)OC(=O)[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@H]1C1CC1 ZINC001573863561 950484974 /nfs/dbraw/zinc/48/49/74/950484974.db2.gz LWDHCAUWYBIKQZ-UONOGXRCSA-N -1 1 384.440 1.702 20 0 GDADMM CC(C)(C)OC(=O)[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@H]1C1CC1 ZINC001573863561 950484993 /nfs/dbraw/zinc/48/49/93/950484993.db2.gz LWDHCAUWYBIKQZ-UONOGXRCSA-N -1 1 384.440 1.702 20 0 GDADMM CC(C)(C)OCC(=O)N1CCCCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573866451 950502101 /nfs/dbraw/zinc/50/21/01/950502101.db2.gz CLJXYSNMCXUNJL-CYBMUJFWSA-N -1 1 388.476 1.077 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc(C2CC2)cn1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574752946 950505212 /nfs/dbraw/zinc/50/52/12/950505212.db2.gz GTWKLWGKSRVODE-NSHDSACASA-N -1 1 379.428 1.502 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc(C2CC2)cn1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574752946 950505225 /nfs/dbraw/zinc/50/52/25/950505225.db2.gz GTWKLWGKSRVODE-NSHDSACASA-N -1 1 379.428 1.502 20 0 GDADMM C[C@@H](CNC(=O)c1cc(C(C)(C)C)on1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574996051 950519708 /nfs/dbraw/zinc/51/97/08/950519708.db2.gz KEFZPPBWJSGUJP-SNVBAGLBSA-N -1 1 385.432 1.420 20 0 GDADMM C[C@@H](CNC(=O)c1cc(C(C)(C)C)on1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574996051 950519723 /nfs/dbraw/zinc/51/97/23/950519723.db2.gz KEFZPPBWJSGUJP-SNVBAGLBSA-N -1 1 385.432 1.420 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccco1 ZINC001574509799 950530965 /nfs/dbraw/zinc/53/09/65/950530965.db2.gz XZFCNSBIQINNGY-JHJVBQTASA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574509799 950530985 /nfs/dbraw/zinc/53/09/85/950530985.db2.gz XZFCNSBIQINNGY-JHJVBQTASA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C)c1ccccc1 ZINC001574511431 950558693 /nfs/dbraw/zinc/55/86/93/950558693.db2.gz LLJMPZXTOCDIAI-CKEIUWERSA-N -1 1 392.467 1.791 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C)c1ccccc1 ZINC001574511431 950558717 /nfs/dbraw/zinc/55/87/17/950558717.db2.gz LLJMPZXTOCDIAI-CKEIUWERSA-N -1 1 392.467 1.791 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc(Cl)s1)Nc1nccnc1-c1nnn[n-]1 ZINC001574754115 950562478 /nfs/dbraw/zinc/56/24/78/950562478.db2.gz YBBCWNGCGCDTJN-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc(Cl)s1)Nc1nccnc1-c1nn[n-]n1 ZINC001574754115 950562497 /nfs/dbraw/zinc/56/24/97/950562497.db2.gz YBBCWNGCGCDTJN-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)ccc1F)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574999000 950562729 /nfs/dbraw/zinc/56/27/29/950562729.db2.gz CNMDLFGIWRVMAC-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)ccc1F)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574999000 950562741 /nfs/dbraw/zinc/56/27/41/950562741.db2.gz CNMDLFGIWRVMAC-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2 ZINC001573869420 950565728 /nfs/dbraw/zinc/56/57/28/950565728.db2.gz PKDRSHYFDUYOKC-STQMWFEESA-N -1 1 386.460 1.311 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2 ZINC001573869420 950565741 /nfs/dbraw/zinc/56/57/41/950565741.db2.gz PKDRSHYFDUYOKC-STQMWFEESA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001574513266 950598921 /nfs/dbraw/zinc/59/89/21/950598921.db2.gz LWRPJIJMZBODJR-UWVGGRQHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001574513266 950598937 /nfs/dbraw/zinc/59/89/37/950598937.db2.gz LWRPJIJMZBODJR-UWVGGRQHSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)CCC(=O)N1CCC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CC[C@H]21 ZINC001574173664 950599839 /nfs/dbraw/zinc/59/98/39/950599839.db2.gz KURQMFYTAMXQMI-GDBMZVCRSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CCC(=O)N1CCC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CC[C@H]21 ZINC001574173664 950599857 /nfs/dbraw/zinc/59/98/57/950599857.db2.gz KURQMFYTAMXQMI-GDBMZVCRSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cccc2c1CCC2 ZINC001575919376 950613495 /nfs/dbraw/zinc/61/34/95/950613495.db2.gz HCVJDDNOKDCRNO-WBMJQRKESA-N -1 1 390.451 1.861 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cccc2c1CCC2 ZINC001575919376 950613525 /nfs/dbraw/zinc/61/35/25/950613525.db2.gz HCVJDDNOKDCRNO-WBMJQRKESA-N -1 1 390.451 1.861 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cccc2c1CCC2 ZINC001575919373 950614717 /nfs/dbraw/zinc/61/47/17/950614717.db2.gz HCVJDDNOKDCRNO-BLLLJJGKSA-N -1 1 390.451 1.861 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cccc2c1CCC2 ZINC001575919373 950614732 /nfs/dbraw/zinc/61/47/32/950614732.db2.gz HCVJDDNOKDCRNO-BLLLJJGKSA-N -1 1 390.451 1.861 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C[C@@H](C)c1ccccc1F ZINC001574513787 950618939 /nfs/dbraw/zinc/61/89/39/950618939.db2.gz ZLVUCVQZHRRPJD-VXGBXAGGSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@@H](C)c1ccccc1F ZINC001574513787 950618958 /nfs/dbraw/zinc/61/89/58/950618958.db2.gz ZLVUCVQZHRRPJD-VXGBXAGGSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001574515154 950622131 /nfs/dbraw/zinc/62/21/31/950622131.db2.gz AONAACBQFHSEQY-OPRDCNLKSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001574515154 950622152 /nfs/dbraw/zinc/62/21/52/950622152.db2.gz AONAACBQFHSEQY-OPRDCNLKSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)ccc1F)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575001159 950622548 /nfs/dbraw/zinc/62/25/48/950622548.db2.gz ULTQUOSSXSEBSC-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)ccc1F)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575001159 950622563 /nfs/dbraw/zinc/62/25/63/950622563.db2.gz ULTQUOSSXSEBSC-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM C[C@H](CNC(=O)c1cc2c(o1)CCCC2)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575001216 950626321 /nfs/dbraw/zinc/62/63/21/950626321.db2.gz IKCHLNKNQVYMEF-NSHDSACASA-N -1 1 382.428 1.607 20 0 GDADMM C[C@H](CNC(=O)c1cc2c(o1)CCCC2)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575001216 950626332 /nfs/dbraw/zinc/62/63/32/950626332.db2.gz IKCHLNKNQVYMEF-NSHDSACASA-N -1 1 382.428 1.607 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ccccc1 ZINC001574515662 950627348 /nfs/dbraw/zinc/62/73/48/950627348.db2.gz DDVGVXLJFCVUFU-AEGPPILISA-N -1 1 378.440 1.910 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ccccc1 ZINC001574515662 950627360 /nfs/dbraw/zinc/62/73/60/950627360.db2.gz DDVGVXLJFCVUFU-AEGPPILISA-N -1 1 378.440 1.910 20 0 GDADMM C[C@@H](CNC(=O)c1cc2c(o1)CCCC2)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575001496 950630524 /nfs/dbraw/zinc/63/05/24/950630524.db2.gz LRFDLSLSDNTQPU-LLVKDONJSA-N -1 1 382.428 1.607 20 0 GDADMM C[C@@H](CNC(=O)c1cc2c(o1)CCCC2)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575001496 950630542 /nfs/dbraw/zinc/63/05/42/950630542.db2.gz LRFDLSLSDNTQPU-LLVKDONJSA-N -1 1 382.428 1.607 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccncc1 ZINC001574518271 950649234 /nfs/dbraw/zinc/64/92/34/950649234.db2.gz NEOXXFDYSSJTPX-BNOWGMLFSA-N -1 1 379.428 1.305 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccncc1 ZINC001574518271 950649249 /nfs/dbraw/zinc/64/92/49/950649249.db2.gz NEOXXFDYSSJTPX-BNOWGMLFSA-N -1 1 379.428 1.305 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CCC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573876201 950664089 /nfs/dbraw/zinc/66/40/89/950664089.db2.gz DXNQURYSAIBXNS-MGPQQGTHSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CCC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573876201 950664104 /nfs/dbraw/zinc/66/41/04/950664104.db2.gz DXNQURYSAIBXNS-MGPQQGTHSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H](CNC(=O)c1cc2n(c1)CCCC2)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575005331 950676745 /nfs/dbraw/zinc/67/67/45/950676745.db2.gz BBYVYEALECDIQB-LBPRGKRZSA-N -1 1 381.444 1.049 20 0 GDADMM C[C@@H](CNC(=O)c1cc2n(c1)CCCC2)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575005331 950676759 /nfs/dbraw/zinc/67/67/59/950676759.db2.gz BBYVYEALECDIQB-LBPRGKRZSA-N -1 1 381.444 1.049 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576215810 950709633 /nfs/dbraw/zinc/70/96/33/950709633.db2.gz BMXUGHNCMSHOKW-QWRGUYRKSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576215810 950709649 /nfs/dbraw/zinc/70/96/49/950709649.db2.gz BMXUGHNCMSHOKW-QWRGUYRKSA-N -1 1 392.414 1.599 20 0 GDADMM CC(C)CCC(=O)NC[C@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001574179990 950714151 /nfs/dbraw/zinc/71/41/51/950714151.db2.gz MKQXJTWJDGSBBI-ZDUSSCGKSA-N -1 1 378.502 1.681 20 0 GDADMM CC1(C)CC(C(=O)N[C@H]2CC23CCN(c2cnc(-c4nnn[n-]4)cn2)CC3)C1 ZINC001575628239 950715683 /nfs/dbraw/zinc/71/56/83/950715683.db2.gz AMKJYROPRBGQDW-AWEZNQCLSA-N -1 1 382.472 1.568 20 0 GDADMM CC1(C)CC(C(=O)N[C@H]2CC23CCN(c2cnc(-c4nn[n-]n4)cn2)CC3)C1 ZINC001575628239 950715693 /nfs/dbraw/zinc/71/56/93/950715693.db2.gz AMKJYROPRBGQDW-AWEZNQCLSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](CNC(=O)c1cc2ccccc2n1C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575006234 950715835 /nfs/dbraw/zinc/71/58/35/950715835.db2.gz TWTZXJJTZBDHAS-LLVKDONJSA-N -1 1 377.412 1.379 20 0 GDADMM C[C@H](CNC(=O)c1cc2ccccc2n1C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575006234 950715849 /nfs/dbraw/zinc/71/58/49/950715849.db2.gz TWTZXJJTZBDHAS-LLVKDONJSA-N -1 1 377.412 1.379 20 0 GDADMM CC(C)(C)c1cc(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)no1 ZINC001573879472 950723868 /nfs/dbraw/zinc/72/38/68/950723868.db2.gz CBYRNSNBSBWUKH-MGCOHNPYSA-N -1 1 383.416 1.315 20 0 GDADMM CC(C)(C)c1cc(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)no1 ZINC001573879472 950723887 /nfs/dbraw/zinc/72/38/87/950723887.db2.gz CBYRNSNBSBWUKH-MGCOHNPYSA-N -1 1 383.416 1.315 20 0 GDADMM CC(C)(C)c1cc(C(=O)NCC2(Nc3cnc(-c4nnn[n-]4)cn3)CC2)[nH]n1 ZINC001573879740 950733998 /nfs/dbraw/zinc/73/39/98/950733998.db2.gz KLKJKUQGLHFTNX-UHFFFAOYSA-N -1 1 382.432 1.052 20 0 GDADMM CC(C)(C)c1cc(C(=O)NCC2(Nc3cnc(-c4nn[n-]n4)cn3)CC2)[nH]n1 ZINC001573879740 950734018 /nfs/dbraw/zinc/73/40/18/950734018.db2.gz KLKJKUQGLHFTNX-UHFFFAOYSA-N -1 1 382.432 1.052 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)c2ccccc2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576216582 950735597 /nfs/dbraw/zinc/73/55/97/950735597.db2.gz DMDUSVMYNCZXMQ-HIFRSBDPSA-N -1 1 392.467 1.315 20 0 GDADMM CC1(C)CC(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575629534 950738876 /nfs/dbraw/zinc/73/88/76/950738876.db2.gz OVQNGNQCBDHACI-AGUYFDCRSA-N -1 1 382.472 1.709 20 0 GDADMM CC1(C)CC(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575629534 950738890 /nfs/dbraw/zinc/73/88/90/950738890.db2.gz OVQNGNQCBDHACI-AGUYFDCRSA-N -1 1 382.472 1.709 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cnn2ccccc12 ZINC001575927221 950740386 /nfs/dbraw/zinc/74/03/86/950740386.db2.gz OIBHSPZKIVZJQQ-YPMHNXCESA-N -1 1 390.411 1.020 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cnn2ccccc12 ZINC001575927221 950740394 /nfs/dbraw/zinc/74/03/94/950740394.db2.gz OIBHSPZKIVZJQQ-YPMHNXCESA-N -1 1 390.411 1.020 20 0 GDADMM C[C@H](CN(C)C(=O)c1cncnc1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574764150 950743114 /nfs/dbraw/zinc/74/31/14/950743114.db2.gz PYXOKTWYTPBVFA-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CN(C)C(=O)c1cncnc1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574764150 950743126 /nfs/dbraw/zinc/74/31/26/950743126.db2.gz PYXOKTWYTPBVFA-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cnn(C(C)(C)C)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574764272 950747447 /nfs/dbraw/zinc/74/74/47/950747447.db2.gz RTWZOJXEGRGUPZ-NSHDSACASA-N -1 1 384.448 1.181 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cnn(C(C)(C)C)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574764272 950747461 /nfs/dbraw/zinc/74/74/61/950747461.db2.gz RTWZOJXEGRGUPZ-NSHDSACASA-N -1 1 384.448 1.181 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C2CCC2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576217032 950750421 /nfs/dbraw/zinc/75/04/21/950750421.db2.gz GFLNLZAYPMAZFA-CHWSQXEVSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C2CCC2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576217032 950750444 /nfs/dbraw/zinc/75/04/44/950750444.db2.gz GFLNLZAYPMAZFA-CHWSQXEVSA-N -1 1 384.488 1.989 20 0 GDADMM CC1(C)CC(C(=O)NC[C@@H]2CCCCCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575629998 950751368 /nfs/dbraw/zinc/75/13/68/950751368.db2.gz XZERTPPCGDKDSO-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CC(C(=O)NC[C@@H]2CCCCCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575629998 950751390 /nfs/dbraw/zinc/75/13/90/950751390.db2.gz XZERTPPCGDKDSO-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C(F)(F)F)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576217406 950760915 /nfs/dbraw/zinc/76/09/15/950760915.db2.gz NLYPSQOLERZOMU-WCBMZHEXSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C(F)(F)F)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576217406 950760926 /nfs/dbraw/zinc/76/09/26/950760926.db2.gz NLYPSQOLERZOMU-WCBMZHEXSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576217489 950764086 /nfs/dbraw/zinc/76/40/86/950764086.db2.gz IFDFKASSWLJDQV-KOLCDFICSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576217489 950764098 /nfs/dbraw/zinc/76/40/98/950764098.db2.gz IFDFKASSWLJDQV-KOLCDFICSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@@H](CN(C)C(=O)c1coc(C2CCC2)n1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574765014 950771075 /nfs/dbraw/zinc/77/10/75/950771075.db2.gz BSJVZFXZPORJSM-JTQLQIEISA-N -1 1 383.416 1.485 20 0 GDADMM C[C@@H](CN(C)C(=O)c1coc(C2CCC2)n1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574765014 950771082 /nfs/dbraw/zinc/77/10/82/950771082.db2.gz BSJVZFXZPORJSM-JTQLQIEISA-N -1 1 383.416 1.485 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CCC2)CC[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576217799 950772206 /nfs/dbraw/zinc/77/22/06/950772206.db2.gz JKOHSZHZBXUPKL-QWRGUYRKSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CCC2)CC[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576217799 950772220 /nfs/dbraw/zinc/77/22/20/950772220.db2.gz JKOHSZHZBXUPKL-QWRGUYRKSA-N -1 1 392.414 1.741 20 0 GDADMM CC(C)c1nc(C(=O)N(C)C[C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)cs1 ZINC001574765052 950773916 /nfs/dbraw/zinc/77/39/16/950773916.db2.gz CQRZCWJEKSLIIQ-JTQLQIEISA-N -1 1 387.473 1.231 20 0 GDADMM CC(C)c1nc(C(=O)N(C)C[C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)cs1 ZINC001574765053 950774245 /nfs/dbraw/zinc/77/42/45/950774245.db2.gz CQRZCWJEKSLIIQ-SNVBAGLBSA-N -1 1 387.473 1.231 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cnc(C2CC2)nc1 ZINC001575929865 950785861 /nfs/dbraw/zinc/78/58/61/950785861.db2.gz CUPRYKSTKDSNNT-ZWNOBZJWSA-N -1 1 392.427 1.039 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cnc(C2CC2)nc1 ZINC001575929865 950785870 /nfs/dbraw/zinc/78/58/70/950785870.db2.gz CUPRYKSTKDSNNT-ZWNOBZJWSA-N -1 1 392.427 1.039 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cc(C(F)F)n[nH]1 ZINC001575931532 950811919 /nfs/dbraw/zinc/81/19/19/950811919.db2.gz IMUVCNVJGRFJSM-SFYZADRCSA-N -1 1 390.358 1.033 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(C(F)F)n[nH]1 ZINC001575931532 950811944 /nfs/dbraw/zinc/81/19/44/950811944.db2.gz IMUVCNVJGRFJSM-SFYZADRCSA-N -1 1 390.358 1.033 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cc(C(F)F)n[nH]1 ZINC001575931534 950812887 /nfs/dbraw/zinc/81/28/87/950812887.db2.gz IMUVCNVJGRFJSM-YUMQZZPRSA-N -1 1 390.358 1.033 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(C(F)F)n[nH]1 ZINC001575931534 950812902 /nfs/dbraw/zinc/81/29/02/950812902.db2.gz IMUVCNVJGRFJSM-YUMQZZPRSA-N -1 1 390.358 1.033 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)COc1ccsc1 ZINC001575931869 950814483 /nfs/dbraw/zinc/81/44/83/950814483.db2.gz JFNPQBHIADCWHJ-PWSUYJOCSA-N -1 1 386.441 1.199 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)COc1ccsc1 ZINC001575931869 950814499 /nfs/dbraw/zinc/81/44/99/950814499.db2.gz JFNPQBHIADCWHJ-PWSUYJOCSA-N -1 1 386.441 1.199 20 0 GDADMM C[C@@H]1CCc2ccccc2N1C(=O)Cn1c2c(cc(-c3nn[n-]n3)c1=O)CCC2 ZINC001576219861 950817509 /nfs/dbraw/zinc/81/75/09/950817509.db2.gz VVUGYQUENLAQKQ-CYBMUJFWSA-N -1 1 390.447 1.885 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001575932235 950823249 /nfs/dbraw/zinc/82/32/49/950823249.db2.gz KXCOWKRKQPDGTF-YEJMPBJOSA-N -1 1 380.456 1.350 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001575932235 950823267 /nfs/dbraw/zinc/82/32/67/950823267.db2.gz KXCOWKRKQPDGTF-YEJMPBJOSA-N -1 1 380.456 1.350 20 0 GDADMM CC(C)CCCC(=O)N1CC[C@@H]2[C@@H](CCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574186985 950825058 /nfs/dbraw/zinc/82/50/58/950825058.db2.gz LCRDRTJALJQELC-GOEBONIOSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CCCC(=O)N1CC[C@@H]2[C@@H](CCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574186985 950825075 /nfs/dbraw/zinc/82/50/75/950825075.db2.gz LCRDRTJALJQELC-GOEBONIOSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCN1C(=O)CC(C)(C)O ZINC001575932691 950831128 /nfs/dbraw/zinc/83/11/28/950831128.db2.gz LSEFWQXAUFCTEC-JGVFFNPUSA-N -1 1 385.881 1.539 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCc1ccsc1 ZINC001575933224 950834778 /nfs/dbraw/zinc/83/47/78/950834778.db2.gz NIOUANASMLVIGS-YPMHNXCESA-N -1 1 384.469 1.752 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1ccsc1 ZINC001575933224 950834799 /nfs/dbraw/zinc/83/47/99/950834799.db2.gz NIOUANASMLVIGS-YPMHNXCESA-N -1 1 384.469 1.752 20 0 GDADMM CC(C)CCCC(=O)N1CC[C@H]2[C@H](CCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001574187820 950836479 /nfs/dbraw/zinc/83/64/79/950836479.db2.gz QVFHQJZVBUHJEY-CABCVRRESA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CCCC(=O)N1CC[C@H]2[C@H](CCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001574187820 950836499 /nfs/dbraw/zinc/83/64/99/950836499.db2.gz QVFHQJZVBUHJEY-CABCVRRESA-N -1 1 384.488 1.910 20 0 GDADMM CC1(C)C[C@H](NC(=O)[C@@H]2CC23CC3)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575638551 950841047 /nfs/dbraw/zinc/84/10/47/950841047.db2.gz HJMLZTQYTWOCIC-OLZOCXBDSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H]1CN(C(=O)C(=O)C(C)(C)C)CC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576221029 950840999 /nfs/dbraw/zinc/84/09/99/950840999.db2.gz YUXMRHBRFQKMSS-VXGBXAGGSA-N -1 1 386.460 1.168 20 0 GDADMM C[C@@H]1CN(C(=O)C(=O)C(C)(C)C)CC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576221029 950841028 /nfs/dbraw/zinc/84/10/28/950841028.db2.gz YUXMRHBRFQKMSS-VXGBXAGGSA-N -1 1 386.460 1.168 20 0 GDADMM CC1(C)C[C@H](NC(=O)[C@@H]2CC23CC3)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575638551 950841064 /nfs/dbraw/zinc/84/10/64/950841064.db2.gz HJMLZTQYTWOCIC-OLZOCXBDSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](CN(C)C(=O)c1scnc1C1CC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574767482 950853869 /nfs/dbraw/zinc/85/38/69/950853869.db2.gz OXHPJRHKMHZECK-VIFPVBQESA-N -1 1 385.457 1.563 20 0 GDADMM C[C@@H](CN(C)C(=O)c1scnc1C1CC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574767482 950853894 /nfs/dbraw/zinc/85/38/94/950853894.db2.gz OXHPJRHKMHZECK-VIFPVBQESA-N -1 1 385.457 1.563 20 0 GDADMM CC1(C)C[C@@H](NC(=O)CCC2CC2)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575639419 950869642 /nfs/dbraw/zinc/86/96/42/950869642.db2.gz BHJAFRAPJZAXDQ-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CN(C(=O)C2(F)CCCC2)CC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576227132 950901839 /nfs/dbraw/zinc/90/18/39/950901839.db2.gz CGVVUJGLVIAAJV-OLZOCXBDSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@@H]1CN(C(=O)C2(F)CCCC2)CC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576227132 950901864 /nfs/dbraw/zinc/90/18/64/950901864.db2.gz CGVVUJGLVIAAJV-OLZOCXBDSA-N -1 1 388.451 1.836 20 0 GDADMM CC1(C)C[C@@H](NC(=O)CCCF)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575640978 950904821 /nfs/dbraw/zinc/90/48/21/950904821.db2.gz MNRKIMQWYOZBJU-LBPRGKRZSA-N -1 1 376.440 1.518 20 0 GDADMM CC1(C)C[C@@H](NC(=O)CCCF)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575640978 950904835 /nfs/dbraw/zinc/90/48/35/950904835.db2.gz MNRKIMQWYOZBJU-LBPRGKRZSA-N -1 1 376.440 1.518 20 0 GDADMM CC(C)CCCC(=O)N[C@]12CCC[C@H]1CN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001574190779 950922333 /nfs/dbraw/zinc/92/23/33/950922333.db2.gz AXDMEUDLKPTLNE-LIRRHRJNSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CCCC(=O)N[C@]12CCC[C@H]1CN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001574190779 950922341 /nfs/dbraw/zinc/92/23/41/950922341.db2.gz AXDMEUDLKPTLNE-LIRRHRJNSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cccc2c1OCC2 ZINC001575936768 950928680 /nfs/dbraw/zinc/92/86/80/950928680.db2.gz IBRBZJBYVYJMKW-BXUZGUMPSA-N -1 1 392.423 1.307 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cccc2c1OCC2 ZINC001575936768 950928697 /nfs/dbraw/zinc/92/86/97/950928697.db2.gz IBRBZJBYVYJMKW-BXUZGUMPSA-N -1 1 392.423 1.307 20 0 GDADMM C[C@H]1CN(C(=O)C2Cc3ccccc3C2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576228072 950931066 /nfs/dbraw/zinc/93/10/66/950931066.db2.gz IQMFTDPLZWNJKQ-SJCJKPOMSA-N -1 1 390.451 1.331 20 0 GDADMM C[C@H]1CN(C(=O)C2Cc3ccccc3C2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576228072 950931081 /nfs/dbraw/zinc/93/10/81/950931081.db2.gz IQMFTDPLZWNJKQ-SJCJKPOMSA-N -1 1 390.451 1.331 20 0 GDADMM CC(C)(CC(=O)NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)C1CC1 ZINC001573895424 950937224 /nfs/dbraw/zinc/93/72/24/950937224.db2.gz AKKODBAFTJXARV-ZSOGYDGISA-N -1 1 382.472 1.281 20 0 GDADMM CC(C)(CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573895525 950938369 /nfs/dbraw/zinc/93/83/69/950938369.db2.gz BYURXVPVMXPLMB-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(CC(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1)CC(F)F ZINC001573895558 950940362 /nfs/dbraw/zinc/94/03/62/950940362.db2.gz CMAFSBOTLMXJTR-QWRGUYRKSA-N -1 1 392.414 1.518 20 0 GDADMM CC(C)(CC(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1)CC(F)F ZINC001573895558 950940379 /nfs/dbraw/zinc/94/03/79/950940379.db2.gz CMAFSBOTLMXJTR-QWRGUYRKSA-N -1 1 392.414 1.518 20 0 GDADMM CC(C)(CC(=O)NC[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)C1CC1 ZINC001573897195 950958256 /nfs/dbraw/zinc/95/82/56/950958256.db2.gz LUFUGHOGQGXFAO-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(CC(=O)NC[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001573897195 950958269 /nfs/dbraw/zinc/95/82/69/950958269.db2.gz LUFUGHOGQGXFAO-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(CC(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C(F)(F)F ZINC001573898117 950973975 /nfs/dbraw/zinc/97/39/75/950973975.db2.gz XDIPFMBGMSOYHR-UHFFFAOYSA-N -1 1 384.366 1.284 20 0 GDADMM CC(C)(CC(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C(F)(F)F ZINC001573898117 950973990 /nfs/dbraw/zinc/97/39/90/950973990.db2.gz XDIPFMBGMSOYHR-UHFFFAOYSA-N -1 1 384.366 1.284 20 0 GDADMM CC(C)(CC(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1)CC(F)F ZINC001573898347 950977933 /nfs/dbraw/zinc/97/79/33/950977933.db2.gz ZRJDPCNMZFEEHP-QWRGUYRKSA-N -1 1 392.414 1.518 20 0 GDADMM CC(C)(CC(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1)CC(F)F ZINC001573898347 950977949 /nfs/dbraw/zinc/97/79/49/950977949.db2.gz ZRJDPCNMZFEEHP-QWRGUYRKSA-N -1 1 392.414 1.518 20 0 GDADMM CC(C)c1ccc(C(=O)NC[C@@H](C)CNc2nccnc2-c2nnn[n-]2)cn1 ZINC001575018106 951016590 /nfs/dbraw/zinc/01/65/90/951016590.db2.gz KRLCCLWKZYJOPH-LBPRGKRZSA-N -1 1 381.444 1.653 20 0 GDADMM CC(C)c1ccc(C(=O)NC[C@@H](C)CNc2nccnc2-c2nn[n-]n2)cn1 ZINC001575018106 951016606 /nfs/dbraw/zinc/01/66/06/951016606.db2.gz KRLCCLWKZYJOPH-LBPRGKRZSA-N -1 1 381.444 1.653 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)F)cc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575018677 951026440 /nfs/dbraw/zinc/02/64/40/951026440.db2.gz OJVUYKVZRFQHFL-JTQLQIEISA-N -1 1 388.382 1.849 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)F)cc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575018677 951026448 /nfs/dbraw/zinc/02/64/48/951026448.db2.gz OJVUYKVZRFQHFL-JTQLQIEISA-N -1 1 388.382 1.849 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)c(Cl)c1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575021630 951062831 /nfs/dbraw/zinc/06/28/31/951062831.db2.gz DXPMYSHKQYPWIS-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)s1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575022716 951070726 /nfs/dbraw/zinc/07/07/26/951070726.db2.gz INRNPCGBYSLYDE-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@H](CNC(=O)c1ccc2ccn(C)c2c1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575026406 951143753 /nfs/dbraw/zinc/14/37/53/951143753.db2.gz JDSPCRNZHPWDSY-GFCCVEGCSA-N -1 1 391.439 1.403 20 0 GDADMM C[C@H](CNC(=O)c1ccc2ccn(C)c2c1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575026406 951143764 /nfs/dbraw/zinc/14/37/64/951143764.db2.gz JDSPCRNZHPWDSY-GFCCVEGCSA-N -1 1 391.439 1.403 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2n[nH]cc21)CNc1nccnc1-c1nnn[n-]1 ZINC001575026925 951149891 /nfs/dbraw/zinc/14/98/91/951149891.db2.gz BEHYQSHNPNSWIC-SNVBAGLBSA-N -1 1 378.400 1.011 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2n[nH]cc21)CNc1nccnc1-c1nn[n-]n1 ZINC001575026925 951149901 /nfs/dbraw/zinc/14/99/01/951149901.db2.gz BEHYQSHNPNSWIC-SNVBAGLBSA-N -1 1 378.400 1.011 20 0 GDADMM CC(C)Oc1ccccc1C(=O)NC[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575027380 951155981 /nfs/dbraw/zinc/15/59/81/951155981.db2.gz FULWVTIUGDBLGD-LBPRGKRZSA-N -1 1 382.428 1.096 20 0 GDADMM CC(C)Oc1cccc(C(=O)NC[C@@H](C)Nc2nccnc2-c2nnn[n-]2)n1 ZINC001575027927 951163224 /nfs/dbraw/zinc/16/32/24/951163224.db2.gz JACWOHWFHDZTDU-LLVKDONJSA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1cccc(C(=O)NC[C@@H](C)Nc2nccnc2-c2nn[n-]n2)n1 ZINC001575027927 951163232 /nfs/dbraw/zinc/16/32/32/951163232.db2.gz JACWOHWFHDZTDU-LLVKDONJSA-N -1 1 383.416 1.069 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2[nH]ccc21)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575028164 951170141 /nfs/dbraw/zinc/17/01/41/951170141.db2.gz LTJNYZGOLNUWFA-LLVKDONJSA-N -1 1 377.412 1.616 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2[nH]ccc21)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575028164 951170148 /nfs/dbraw/zinc/17/01/48/951170148.db2.gz LTJNYZGOLNUWFA-LLVKDONJSA-N -1 1 377.412 1.616 20 0 GDADMM C[C@@H](CNC(=O)c1ccccc1C1(C)CC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575028622 951176957 /nfs/dbraw/zinc/17/69/57/951176957.db2.gz OWPZQRNFOWZIBZ-LBPRGKRZSA-N -1 1 378.440 1.939 20 0 GDADMM C[C@@H](CNC(=O)c1ccccc1C1(C)CC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575028622 951176965 /nfs/dbraw/zinc/17/69/65/951176965.db2.gz OWPZQRNFOWZIBZ-LBPRGKRZSA-N -1 1 378.440 1.939 20 0 GDADMM C[C@H](CNC(=O)c1cccnc1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575031524 951196648 /nfs/dbraw/zinc/19/66/48/951196648.db2.gz CCRBTGKTXJJFAV-MRVPVSSYSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@H](CNC(=O)c1cccnc1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575031524 951196655 /nfs/dbraw/zinc/19/66/55/951196655.db2.gz CCRBTGKTXJJFAV-MRVPVSSYSA-N -1 1 378.849 1.850 20 0 GDADMM CC(C)Oc1cc(C(=O)NC[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)ccn1 ZINC001575036276 951293273 /nfs/dbraw/zinc/29/32/73/951293273.db2.gz QLCPCLFYZVSPDH-NSHDSACASA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1cc(C(=O)NC[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)ccn1 ZINC001575036276 951293286 /nfs/dbraw/zinc/29/32/86/951293286.db2.gz QLCPCLFYZVSPDH-NSHDSACASA-N -1 1 383.416 1.069 20 0 GDADMM O=C([O-])CCCC(=O)N1CCc2cc(S(=O)(=O)Nc3ncccn3)ccc21 ZINC001595026024 951352985 /nfs/dbraw/zinc/35/29/85/951352985.db2.gz XYZGGXCATXYDPA-UHFFFAOYSA-N -1 1 390.421 1.421 20 0 GDADMM C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000389798134 951358000 /nfs/dbraw/zinc/35/80/00/951358000.db2.gz QRBPJZVSOOSEEC-PBHICJAKSA-N -1 1 381.498 1.138 20 0 GDADMM C[C@@H](CNC(=O)c1cn(C)cn1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575042964 951377591 /nfs/dbraw/zinc/37/75/91/951377591.db2.gz NLZFOQJVHMGSRX-ZETCQYMHSA-N -1 1 381.853 1.188 20 0 GDADMM CC(C)Oc1cncc(C(=O)NC[C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)c1 ZINC001575046417 951440501 /nfs/dbraw/zinc/44/05/01/951440501.db2.gz NXWYFAYJNSWJOJ-LLVKDONJSA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1cncc(C(=O)NC[C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)c1 ZINC001575046417 951440507 /nfs/dbraw/zinc/44/05/07/951440507.db2.gz NXWYFAYJNSWJOJ-LLVKDONJSA-N -1 1 383.416 1.069 20 0 GDADMM C[C@@H](CNC(=O)c1coc(C(F)F)c1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575055790 951512799 /nfs/dbraw/zinc/51/27/99/951512799.db2.gz ABYYPANSCTTZQN-MRVPVSSYSA-N -1 1 378.343 1.665 20 0 GDADMM C[C@@H](CNC(=O)c1coc(C(F)F)c1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575055790 951512807 /nfs/dbraw/zinc/51/28/07/951512807.db2.gz ABYYPANSCTTZQN-MRVPVSSYSA-N -1 1 378.343 1.665 20 0 GDADMM C[C@H](CNC(=O)c1coc2ccccc12)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575055930 951514939 /nfs/dbraw/zinc/51/49/39/951514939.db2.gz CMRZRWPQPXRDKP-LLVKDONJSA-N -1 1 378.396 1.658 20 0 GDADMM C[C@H](CNC(=O)c1coc2ccccc12)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575055930 951514953 /nfs/dbraw/zinc/51/49/53/951514953.db2.gz CMRZRWPQPXRDKP-LLVKDONJSA-N -1 1 378.396 1.658 20 0 GDADMM C[C@@H](CNC(=O)c1coc2ccccc12)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575055931 951515082 /nfs/dbraw/zinc/51/50/82/951515082.db2.gz CMRZRWPQPXRDKP-NSHDSACASA-N -1 1 378.396 1.658 20 0 GDADMM C[C@@H](CNC(=O)c1coc2ccccc12)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575055931 951515090 /nfs/dbraw/zinc/51/50/90/951515090.db2.gz CMRZRWPQPXRDKP-NSHDSACASA-N -1 1 378.396 1.658 20 0 GDADMM C[C@H](CNC(=O)c1csc(=O)[nH]1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575057030 951524652 /nfs/dbraw/zinc/52/46/52/951524652.db2.gz NXRBSRQKLABUIO-SCSAIBSYSA-N -1 1 386.850 1.369 20 0 GDADMM C[C@H](CNC(=O)c1coc(C(C)(C)C)n1)CNc1nccnc1-c1nnn[n-]1 ZINC001575057916 951533200 /nfs/dbraw/zinc/53/32/00/951533200.db2.gz SMBVKGKNUVKDMS-JTQLQIEISA-N -1 1 385.432 1.420 20 0 GDADMM C[C@H](CNC(=O)c1coc(C(C)(C)C)n1)CNc1nccnc1-c1nn[n-]n1 ZINC001575057916 951533205 /nfs/dbraw/zinc/53/32/05/951533205.db2.gz SMBVKGKNUVKDMS-JTQLQIEISA-N -1 1 385.432 1.420 20 0 GDADMM C[C@H](CNC(=O)c1scnc1C(C)(C)C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575070521 951651899 /nfs/dbraw/zinc/65/18/99/951651899.db2.gz RAOLMUREWXKPAO-SECBINFHSA-N -1 1 387.473 1.063 20 0 GDADMM O=C([O-])Cn1cc(C(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)nn1 ZINC001595143222 952098903 /nfs/dbraw/zinc/09/89/03/952098903.db2.gz WDZWFAVAJQKMDR-GOSISDBHSA-N -1 1 376.376 1.758 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cscc1Cl ZINC001575133195 952102292 /nfs/dbraw/zinc/10/22/92/952102292.db2.gz BYYZKJQPIZCFHH-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cscc1Cl ZINC001575133195 952102295 /nfs/dbraw/zinc/10/22/95/952102295.db2.gz BYYZKJQPIZCFHH-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cccc2c1CCC2 ZINC001575134722 952113021 /nfs/dbraw/zinc/11/30/21/952113021.db2.gz OPBHLNKFMNJEJK-LBPRGKRZSA-N -1 1 378.440 1.718 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cccc2c1CCC2 ZINC001575134722 952113024 /nfs/dbraw/zinc/11/30/24/952113024.db2.gz OPBHLNKFMNJEJK-LBPRGKRZSA-N -1 1 378.440 1.718 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)N(C)[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575136738 952127927 /nfs/dbraw/zinc/12/79/27/952127927.db2.gz WBZGUQGURDPSFT-ZIAGYGMSSA-N -1 1 380.456 1.794 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)N(C)[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575136738 952127930 /nfs/dbraw/zinc/12/79/30/952127930.db2.gz WBZGUQGURDPSFT-ZIAGYGMSSA-N -1 1 380.456 1.794 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)CC(C)(C)C(F)(F)F ZINC001575140764 952144200 /nfs/dbraw/zinc/14/42/00/952144200.db2.gz GGSYRSLAWNYVLB-SECBINFHSA-N -1 1 386.382 1.316 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001575144042 952161252 /nfs/dbraw/zinc/16/12/52/952161252.db2.gz TXIYYULICRXPBQ-PIHIASKNSA-N -1 1 384.488 1.554 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCCCC1(F)F ZINC001575144904 952173592 /nfs/dbraw/zinc/17/35/92/952173592.db2.gz ZCVMMVFSWSNRJL-QWRGUYRKSA-N -1 1 380.403 1.163 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)CCc1ccc(F)cc1 ZINC001575153499 952210334 /nfs/dbraw/zinc/21/03/34/952210334.db2.gz HQENGQZGMYXOBD-GFCCVEGCSA-N -1 1 384.419 1.687 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)CCc1ccc(F)cc1 ZINC001575153499 952210340 /nfs/dbraw/zinc/21/03/40/952210340.db2.gz HQENGQZGMYXOBD-GFCCVEGCSA-N -1 1 384.419 1.687 20 0 GDADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)c1ccc(F)nc1)C1CC1 ZINC001575154005 952215395 /nfs/dbraw/zinc/21/53/95/952215395.db2.gz NJBOCCHSIOYNRJ-QGZVFWFLSA-N -1 1 383.391 1.201 20 0 GDADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)c1ccc(F)nc1)C1CC1 ZINC001575154005 952215401 /nfs/dbraw/zinc/21/54/01/952215401.db2.gz NJBOCCHSIOYNRJ-QGZVFWFLSA-N -1 1 383.391 1.201 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)C[C@H]1CCCC1(F)F ZINC001575154225 952217536 /nfs/dbraw/zinc/21/75/36/952217536.db2.gz QIZCKBZCGSNIMX-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)C[C@H]1CCCC1(F)F ZINC001575154225 952217541 /nfs/dbraw/zinc/21/75/41/952217541.db2.gz QIZCKBZCGSNIMX-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cc2c(s1)CCC2 ZINC001575155410 952238631 /nfs/dbraw/zinc/23/86/31/952238631.db2.gz MGCGBEJSPUKCST-JTQLQIEISA-N -1 1 384.469 1.780 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cc2c(s1)CCC2 ZINC001575155410 952238636 /nfs/dbraw/zinc/23/86/36/952238636.db2.gz MGCGBEJSPUKCST-JTQLQIEISA-N -1 1 384.469 1.780 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cc2c(s1)CCC2 ZINC001575155411 952238788 /nfs/dbraw/zinc/23/87/88/952238788.db2.gz MGCGBEJSPUKCST-SNVBAGLBSA-N -1 1 384.469 1.780 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cc2c(s1)CCC2 ZINC001575155411 952238795 /nfs/dbraw/zinc/23/87/95/952238795.db2.gz MGCGBEJSPUKCST-SNVBAGLBSA-N -1 1 384.469 1.780 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H]1CCCC(F)(F)C1 ZINC001575155922 952246163 /nfs/dbraw/zinc/24/61/63/952246163.db2.gz AVKPDYXSZZOYMH-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCCC(F)(F)C1 ZINC001575155922 952246169 /nfs/dbraw/zinc/24/61/69/952246169.db2.gz AVKPDYXSZZOYMH-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cccc(N(C)C)c1 ZINC001575157424 952264412 /nfs/dbraw/zinc/26/44/12/952264412.db2.gz ZXSXIOHRFHEKMC-LBPRGKRZSA-N -1 1 381.444 1.295 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cccc(N(C)C)c1 ZINC001575157424 952264420 /nfs/dbraw/zinc/26/44/20/952264420.db2.gz ZXSXIOHRFHEKMC-LBPRGKRZSA-N -1 1 381.444 1.295 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)C(C)(C)C1CCOCC1 ZINC001575157432 952264624 /nfs/dbraw/zinc/26/46/24/952264624.db2.gz ZZYJTYYNJYSJEJ-LBPRGKRZSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)C(C)(C)C1CCOCC1 ZINC001575157432 952264630 /nfs/dbraw/zinc/26/46/30/952264630.db2.gz ZZYJTYYNJYSJEJ-LBPRGKRZSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1scnc1Cl ZINC001575164230 952290643 /nfs/dbraw/zinc/29/06/43/952290643.db2.gz CDDRMMWDRLQCCW-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1scnc1Cl ZINC001575164230 952290650 /nfs/dbraw/zinc/29/06/50/952290650.db2.gz CDDRMMWDRLQCCW-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)[C@@]1(F)CCOC1 ZINC001575164593 952294934 /nfs/dbraw/zinc/29/49/34/952294934.db2.gz FYYKQOMYROKHKG-FUXBKTLASA-N -1 1 389.844 1.364 20 0 GDADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)c1ccnn1C ZINC001575165313 952305668 /nfs/dbraw/zinc/30/56/68/952305668.db2.gz NISHOFTXAHEBFP-SSDOTTSWSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)C[C@H]1CCCO1 ZINC001575165331 952307980 /nfs/dbraw/zinc/30/79/80/952307980.db2.gz NJZRSRNSMKZPOL-RKDXNWHRSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)c1n[nH]cc1F ZINC001575166310 952323782 /nfs/dbraw/zinc/32/37/82/952323782.db2.gz VESGCHKWQAMMHH-RXMQYKEDSA-N -1 1 385.816 1.411 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)c1n[nH]cc1F ZINC001575166310 952323788 /nfs/dbraw/zinc/32/37/88/952323788.db2.gz VESGCHKWQAMMHH-RXMQYKEDSA-N -1 1 385.816 1.411 20 0 GDADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)c1ccc(F)cc1)C1CC1 ZINC001575173871 952358340 /nfs/dbraw/zinc/35/83/40/952358340.db2.gz BUQRVCCVDGCGGY-SFHVURJKSA-N -1 1 382.403 1.806 20 0 GDADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)c1ccc(F)cc1)C1CC1 ZINC001575173871 952358353 /nfs/dbraw/zinc/35/83/53/952358353.db2.gz BUQRVCCVDGCGGY-SFHVURJKSA-N -1 1 382.403 1.806 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@H](F)Cc1ccccc1 ZINC001575174973 952382113 /nfs/dbraw/zinc/38/21/13/952382113.db2.gz VBTFYPYYEDKMIG-GXTWGEPZSA-N -1 1 384.419 1.496 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@H](F)Cc1ccccc1 ZINC001575174973 952382122 /nfs/dbraw/zinc/38/21/22/952382122.db2.gz VBTFYPYYEDKMIG-GXTWGEPZSA-N -1 1 384.419 1.496 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ccc2c(c1)CCC2 ZINC001575178168 952405134 /nfs/dbraw/zinc/40/51/34/952405134.db2.gz LBGFGXUVCXEFKJ-LBPRGKRZSA-N -1 1 378.440 1.718 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ccc2c(c1)CCC2 ZINC001575178168 952405139 /nfs/dbraw/zinc/40/51/39/952405139.db2.gz LBGFGXUVCXEFKJ-LBPRGKRZSA-N -1 1 378.440 1.718 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cc2n(c1)CCCC2 ZINC001575180211 952417105 /nfs/dbraw/zinc/41/71/05/952417105.db2.gz UCWLPGYPAIGJJI-GFCCVEGCSA-N -1 1 381.444 1.367 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cc2n(c1)CCCC2 ZINC001575180211 952417108 /nfs/dbraw/zinc/41/71/08/952417108.db2.gz UCWLPGYPAIGJJI-GFCCVEGCSA-N -1 1 381.444 1.367 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)c1cnsn1 ZINC001575180564 952417764 /nfs/dbraw/zinc/41/77/64/952417764.db2.gz WFSQXBKLBUULKN-YFKPBYRVSA-N -1 1 385.866 1.401 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)c1cnsn1 ZINC001575180564 952417767 /nfs/dbraw/zinc/41/77/67/952417767.db2.gz WFSQXBKLBUULKN-YFKPBYRVSA-N -1 1 385.866 1.401 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)Cc1cccc(Cl)c1 ZINC001575180580 952418767 /nfs/dbraw/zinc/41/87/67/952418767.db2.gz WJGZTEXFHVSSSE-NSHDSACASA-N -1 1 386.847 1.812 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)Cc1cccc(Cl)c1 ZINC001575180580 952418773 /nfs/dbraw/zinc/41/87/73/952418773.db2.gz WJGZTEXFHVSSSE-NSHDSACASA-N -1 1 386.847 1.812 20 0 GDADMM C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001575185215 952430295 /nfs/dbraw/zinc/43/02/95/952430295.db2.gz NBEPWJYLZFRRLN-JTQLQIEISA-N -1 1 390.400 1.449 20 0 GDADMM C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001575185215 952430299 /nfs/dbraw/zinc/43/02/99/952430299.db2.gz NBEPWJYLZFRRLN-JTQLQIEISA-N -1 1 390.400 1.449 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H](C)Cc1ccccc1F ZINC001575187254 952439148 /nfs/dbraw/zinc/43/91/48/952439148.db2.gz BITWWCHBYRFYEA-NWDGAFQWSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H](C)Cc1ccccc1F ZINC001575187254 952439152 /nfs/dbraw/zinc/43/91/52/952439152.db2.gz BITWWCHBYRFYEA-NWDGAFQWSA-N -1 1 384.419 1.591 20 0 GDADMM O=C(NCCc1c(F)cc([O-])cc1F)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC001571115020 952463131 /nfs/dbraw/zinc/46/31/31/952463131.db2.gz QCMIMWNGHBXADM-OAHLLOKOSA-N -1 1 375.335 1.243 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC001575190494 952463222 /nfs/dbraw/zinc/46/32/22/952463222.db2.gz SXRAWMGSRIJOJF-RYUDHWBXSA-N -1 1 384.419 1.013 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H](C)Cc1cccc(F)c1 ZINC001575191990 952471161 /nfs/dbraw/zinc/47/11/61/952471161.db2.gz ZZJXHPRQBCYGPK-NWDGAFQWSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H](C)Cc1cccc(F)c1 ZINC001575191990 952471162 /nfs/dbraw/zinc/47/11/62/952471162.db2.gz ZZJXHPRQBCYGPK-NWDGAFQWSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575196135 952474729 /nfs/dbraw/zinc/47/47/29/952474729.db2.gz DNAFODUJRJSHSH-GFCCVEGCSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575196135 952474731 /nfs/dbraw/zinc/47/47/31/952474731.db2.gz DNAFODUJRJSHSH-GFCCVEGCSA-N -1 1 382.428 1.214 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)[C@@H]1Cc2ccccc21 ZINC001571120663 952506812 /nfs/dbraw/zinc/50/68/12/952506812.db2.gz PBGBGWZWXBQJGV-UKRRQHHQSA-N -1 1 376.424 1.082 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)[C@@H]1Cc2ccccc21 ZINC001571120663 952506819 /nfs/dbraw/zinc/50/68/19/952506819.db2.gz PBGBGWZWXBQJGV-UKRRQHHQSA-N -1 1 376.424 1.082 20 0 GDADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1c[nH]c(=O)c(Br)c1 ZINC001571120809 952509161 /nfs/dbraw/zinc/50/91/61/952509161.db2.gz QUGHROYOQDQWNA-UHFFFAOYSA-N -1 1 376.174 1.055 20 0 GDADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1c[nH]c(=O)c(Br)c1 ZINC001571120809 952509167 /nfs/dbraw/zinc/50/91/67/952509167.db2.gz QUGHROYOQDQWNA-UHFFFAOYSA-N -1 1 376.174 1.055 20 0 GDADMM O=C([C@@H]1CC1(F)F)N1CC[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571121198 952515691 /nfs/dbraw/zinc/51/56/91/952515691.db2.gz XZMQPWQOQNNKGS-WDSKDSINSA-N -1 1 375.792 1.645 20 0 GDADMM O=C([C@@H]1CC1(F)F)N1CC[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571121198 952515696 /nfs/dbraw/zinc/51/56/96/952515696.db2.gz XZMQPWQOQNNKGS-WDSKDSINSA-N -1 1 375.792 1.645 20 0 GDADMM CN(C[C@H](O)c1cccc(Br)c1)c1cncc(-c2nnn[n-]2)n1 ZINC001571121160 952516165 /nfs/dbraw/zinc/51/61/65/952516165.db2.gz XJVWFEDOWWCXON-LBPRGKRZSA-N -1 1 376.218 1.589 20 0 GDADMM CN(C[C@H](O)c1cccc(Br)c1)c1cncc(-c2nn[n-]n2)n1 ZINC001571121160 952516168 /nfs/dbraw/zinc/51/61/68/952516168.db2.gz XJVWFEDOWWCXON-LBPRGKRZSA-N -1 1 376.218 1.589 20 0 GDADMM O=C(N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccsc1Cl ZINC001571121929 952522717 /nfs/dbraw/zinc/52/27/17/952522717.db2.gz FKIZKBUDIOHCPF-QMMMGPOBSA-N -1 1 376.833 1.380 20 0 GDADMM O=C(N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccsc1Cl ZINC001571121929 952522719 /nfs/dbraw/zinc/52/27/19/952522719.db2.gz FKIZKBUDIOHCPF-QMMMGPOBSA-N -1 1 376.833 1.380 20 0 GDADMM O=C(c1csc(Cl)c1)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571123108 952527429 /nfs/dbraw/zinc/52/74/29/952527429.db2.gz OZPQYJKZDGVQIG-VIFPVBQESA-N -1 1 376.833 1.698 20 0 GDADMM O=C(c1csc(Cl)c1)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571123108 952527431 /nfs/dbraw/zinc/52/74/31/952527431.db2.gz OZPQYJKZDGVQIG-VIFPVBQESA-N -1 1 376.833 1.698 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CC[C@H]1CC(C)(C)CO1 ZINC001571123494 952530262 /nfs/dbraw/zinc/53/02/62/952530262.db2.gz SLJMJAUZSIIUOL-NSHDSACASA-N -1 1 376.465 1.158 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CC[C@H]1CC(C)(C)CO1 ZINC001571123494 952530269 /nfs/dbraw/zinc/53/02/69/952530269.db2.gz SLJMJAUZSIIUOL-NSHDSACASA-N -1 1 376.465 1.158 20 0 GDADMM CC[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571128092 952563609 /nfs/dbraw/zinc/56/36/09/952563609.db2.gz OZAKAGRZCVCWEY-KKOKHZNYSA-N -1 1 377.474 1.506 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001575214655 952565633 /nfs/dbraw/zinc/56/56/33/952565633.db2.gz NNKKFPVVODPTAX-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001575214655 952565639 /nfs/dbraw/zinc/56/56/39/952565639.db2.gz NNKKFPVVODPTAX-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001575214652 952565765 /nfs/dbraw/zinc/56/57/65/952565765.db2.gz NNKKFPVVODPTAX-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001575214652 952565772 /nfs/dbraw/zinc/56/57/72/952565772.db2.gz NNKKFPVVODPTAX-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1csc(Cl)n1 ZINC001571128609 952568531 /nfs/dbraw/zinc/56/85/31/952568531.db2.gz VDOFBHFOYWLTAK-KNVOCYPGSA-N -1 1 377.821 1.140 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1csc(Cl)n1 ZINC001571128609 952568535 /nfs/dbraw/zinc/56/85/35/952568535.db2.gz VDOFBHFOYWLTAK-KNVOCYPGSA-N -1 1 377.821 1.140 20 0 GDADMM Cc1nsc(NC[C@@H]2CN(C(=O)C3CCCC3)CCO2)c1-c1nn[n-]n1 ZINC001571128701 952569781 /nfs/dbraw/zinc/56/97/81/952569781.db2.gz WSDYGJAIERZZOC-GFCCVEGCSA-N -1 1 377.474 1.461 20 0 GDADMM O=C([C@H]1CCCCC1(F)F)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571129344 952574283 /nfs/dbraw/zinc/57/42/83/952574283.db2.gz CQDIVUVDRMCTDU-WDEREUQCSA-N -1 1 378.387 1.495 20 0 GDADMM O=C([C@H]1CCCCC1(F)F)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571129344 952574289 /nfs/dbraw/zinc/57/42/89/952574289.db2.gz CQDIVUVDRMCTDU-WDEREUQCSA-N -1 1 378.387 1.495 20 0 GDADMM O=C(C[C@H]1CCCC1(F)F)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571129531 952574972 /nfs/dbraw/zinc/57/49/72/952574972.db2.gz GIJPJTFVIFQINP-LLVKDONJSA-N -1 1 378.387 1.131 20 0 GDADMM O=C(C[C@H]1CCCC1(F)F)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571129531 952574977 /nfs/dbraw/zinc/57/49/77/952574977.db2.gz GIJPJTFVIFQINP-LLVKDONJSA-N -1 1 378.387 1.131 20 0 GDADMM CN(C(=O)[C@H]1CCC1(F)F)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571130005 952577597 /nfs/dbraw/zinc/57/75/97/952577597.db2.gz MPIFMKFLOCKGBL-LLVKDONJSA-N -1 1 378.387 1.129 20 0 GDADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)C2(C(F)F)CCC2)C1 ZINC001571130204 952579467 /nfs/dbraw/zinc/57/94/67/952579467.db2.gz PNCZYEASFMAEBF-SNVBAGLBSA-N -1 1 378.387 1.129 20 0 GDADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)C2(C(F)F)CCC2)C1 ZINC001571130204 952579469 /nfs/dbraw/zinc/57/94/69/952579469.db2.gz PNCZYEASFMAEBF-SNVBAGLBSA-N -1 1 378.387 1.129 20 0 GDADMM CN(C(=O)[C@H]1CCC(F)(F)C1)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571130705 952581929 /nfs/dbraw/zinc/58/19/29/952581929.db2.gz UTQWEJVFJVTPPP-WDEREUQCSA-N -1 1 378.387 1.129 20 0 GDADMM CN(C(=O)[C@H]1CCC(F)(F)C1)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571130705 952581931 /nfs/dbraw/zinc/58/19/31/952581931.db2.gz UTQWEJVFJVTPPP-WDEREUQCSA-N -1 1 378.387 1.129 20 0 GDADMM Cc1ccc(CC(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C[C@@H]2C)cc1 ZINC001571134081 952585008 /nfs/dbraw/zinc/58/50/08/952585008.db2.gz DFIZPOAYJOIXAY-DZGCQCFKSA-N -1 1 378.440 1.609 20 0 GDADMM Cc1ccc(CC(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C[C@@H]2C)cc1 ZINC001571134081 952585011 /nfs/dbraw/zinc/58/50/11/952585011.db2.gz DFIZPOAYJOIXAY-DZGCQCFKSA-N -1 1 378.440 1.609 20 0 GDADMM CCc1ccccc1C(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571134310 952588686 /nfs/dbraw/zinc/58/86/86/952588686.db2.gz DIJMKMBCBZLVJG-CYBMUJFWSA-N -1 1 378.440 1.793 20 0 GDADMM CCc1ccccc1C(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571134310 952588692 /nfs/dbraw/zinc/58/86/92/952588692.db2.gz DIJMKMBCBZLVJG-CYBMUJFWSA-N -1 1 378.440 1.793 20 0 GDADMM CCc1ccccc1C(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571134584 952593064 /nfs/dbraw/zinc/59/30/64/952593064.db2.gz HLIYYPUJGVSUKD-MLGOLLRUSA-N -1 1 378.440 1.792 20 0 GDADMM CCc1ccccc1C(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571134584 952593067 /nfs/dbraw/zinc/59/30/67/952593067.db2.gz HLIYYPUJGVSUKD-MLGOLLRUSA-N -1 1 378.440 1.792 20 0 GDADMM Cc1ccc(C)c(CC(=O)N[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571134733 952594097 /nfs/dbraw/zinc/59/40/97/952594097.db2.gz MKJXJVHXCLLZMF-SHTZXODSSA-N -1 1 378.440 1.575 20 0 GDADMM Cc1ccc(C)c(CC(=O)N[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571134733 952594101 /nfs/dbraw/zinc/59/41/01/952594101.db2.gz MKJXJVHXCLLZMF-SHTZXODSSA-N -1 1 378.440 1.575 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1ccccc1 ZINC001571134901 952597546 /nfs/dbraw/zinc/59/75/46/952597546.db2.gz NCHFBTKNYOXPKE-UMVBOHGHSA-N -1 1 378.440 1.401 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1ccccc1 ZINC001571134901 952597549 /nfs/dbraw/zinc/59/75/49/952597549.db2.gz NCHFBTKNYOXPKE-UMVBOHGHSA-N -1 1 378.440 1.401 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CN(C(=O)C3C=CC=CC=C3)C[C@H]2C)n1 ZINC001571135210 952600314 /nfs/dbraw/zinc/60/03/14/952600314.db2.gz RCHQMXZCKKURHU-MLGOLLRUSA-N -1 1 378.440 1.522 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CN(C(=O)C3C=CC=CC=C3)C[C@H]2C)n1 ZINC001571135210 952600316 /nfs/dbraw/zinc/60/03/16/952600316.db2.gz RCHQMXZCKKURHU-MLGOLLRUSA-N -1 1 378.440 1.522 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001571135404 952604066 /nfs/dbraw/zinc/60/40/66/952604066.db2.gz VFZTWFKVTYLRFG-ZIAGYGMSSA-N -1 1 378.440 1.721 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001571135404 952604069 /nfs/dbraw/zinc/60/40/69/952604069.db2.gz VFZTWFKVTYLRFG-ZIAGYGMSSA-N -1 1 378.440 1.721 20 0 GDADMM C[C@@H]1CC[C@@H](NC(=O)C2C=CC=CC=C2)CN1c1nccnc1-c1nnn[n-]1 ZINC001571135548 952605661 /nfs/dbraw/zinc/60/56/61/952605661.db2.gz WJJJRWJZUKBVAO-UKRRQHHQSA-N -1 1 378.440 1.429 20 0 GDADMM C[C@@H]1CC[C@@H](NC(=O)C2C=CC=CC=C2)CN1c1nccnc1-c1nn[n-]n1 ZINC001571135548 952605664 /nfs/dbraw/zinc/60/56/64/952605664.db2.gz WJJJRWJZUKBVAO-UKRRQHHQSA-N -1 1 378.440 1.429 20 0 GDADMM C[C@@H](OC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1)c1cccc(OC(F)F)c1 ZINC001571139315 952620511 /nfs/dbraw/zinc/62/05/11/952620511.db2.gz FRVMOMKFMNIQRD-RKDXNWHRSA-N -1 1 379.327 1.925 20 0 GDADMM O=C(C1C=CC=CC=C1)N1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571141010 952630474 /nfs/dbraw/zinc/63/04/74/952630474.db2.gz FKFUYZIQPNJGKW-HNNXBMFYSA-N -1 1 378.440 1.170 20 0 GDADMM O=C(COc1ccccc1)Cn1c(=O)c(-c2nn[n-]n2)ccc1C(F)(F)F ZINC001571141112 952630841 /nfs/dbraw/zinc/63/08/41/952630841.db2.gz GXKXGOXCZBEXJT-UHFFFAOYSA-N -1 1 379.298 1.695 20 0 GDADMM O=C(NCc1ccc(CCNc2nccnc2-c2nnn[n-]2)cc1)C1CCC1 ZINC001571142697 952645347 /nfs/dbraw/zinc/64/53/47/952645347.db2.gz VWSTZOHFPDSIEI-UHFFFAOYSA-N -1 1 378.440 1.728 20 0 GDADMM O=C(NCc1ccc(CCNc2nccnc2-c2nn[n-]n2)cc1)C1CCC1 ZINC001571142697 952645349 /nfs/dbraw/zinc/64/53/49/952645349.db2.gz VWSTZOHFPDSIEI-UHFFFAOYSA-N -1 1 378.440 1.728 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cc2c([nH]1)CCC2 ZINC001571147044 952656435 /nfs/dbraw/zinc/65/64/35/952656435.db2.gz QZPVVWMCJAVNJX-KLPPZKSPSA-N -1 1 379.428 1.094 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cc2c([nH]1)CCC2 ZINC001571147044 952656439 /nfs/dbraw/zinc/65/64/39/952656439.db2.gz QZPVVWMCJAVNJX-KLPPZKSPSA-N -1 1 379.428 1.094 20 0 GDADMM CCN(C(=O)c1ccc(C)nc1)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571147124 952657450 /nfs/dbraw/zinc/65/74/50/952657450.db2.gz GUDOYDNJPRPVDY-CQSZACIVSA-N -1 1 379.428 1.101 20 0 GDADMM CCN(C(=O)c1ccc(C)nc1)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571147124 952657452 /nfs/dbraw/zinc/65/74/52/952657452.db2.gz GUDOYDNJPRPVDY-CQSZACIVSA-N -1 1 379.428 1.101 20 0 GDADMM O=C(c1cc2c([nH]1)CCCC2)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571147258 952658255 /nfs/dbraw/zinc/65/82/55/952658255.db2.gz VVMOOPGANDDLAY-LBPRGKRZSA-N -1 1 379.428 1.190 20 0 GDADMM O=C(c1cc2c([nH]1)CCCC2)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571147258 952658257 /nfs/dbraw/zinc/65/82/57/952658257.db2.gz VVMOOPGANDDLAY-LBPRGKRZSA-N -1 1 379.428 1.190 20 0 GDADMM O=C(NC[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1c[nH]cc1C1CC1 ZINC001571147290 952659540 /nfs/dbraw/zinc/65/95/40/952659540.db2.gz WNSJMMSJTYICHZ-UMSPYCQHSA-N -1 1 379.428 1.483 20 0 GDADMM O=C(NC[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1c[nH]cc1C1CC1 ZINC001571147290 952659546 /nfs/dbraw/zinc/65/95/46/952659546.db2.gz WNSJMMSJTYICHZ-UMSPYCQHSA-N -1 1 379.428 1.483 20 0 GDADMM CC[C@H]1CN(C(=O)c2ccccn2)CC[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571147766 952663879 /nfs/dbraw/zinc/66/38/79/952663879.db2.gz PPAHRHMCMAWOEF-STQMWFEESA-N -1 1 379.428 1.405 20 0 GDADMM CC[C@H]1CN(C(=O)c2ccccn2)CC[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571147766 952663883 /nfs/dbraw/zinc/66/38/83/952663883.db2.gz PPAHRHMCMAWOEF-STQMWFEESA-N -1 1 379.428 1.405 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571148104 952665284 /nfs/dbraw/zinc/66/52/84/952665284.db2.gz VETYXHQOAJMPTL-GFCCVEGCSA-N -1 1 379.428 1.184 20 0 GDADMM O=C(NC1CC(CNc2nc(-c3nn[n-]n3)c(Cl)s2)C1)c1ccn[nH]1 ZINC001571152608 952683147 /nfs/dbraw/zinc/68/31/47/952683147.db2.gz HJWKTJZVAQCAGX-UHFFFAOYSA-N -1 1 379.837 1.320 20 0 GDADMM O=C(Cc1ccco1)N1CC[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571152675 952684201 /nfs/dbraw/zinc/68/42/01/952684201.db2.gz JXHLBNDIJWSBRB-MRVPVSSYSA-N -1 1 379.833 1.825 20 0 GDADMM O=C(Cc1ccco1)N1CC[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571152675 952684202 /nfs/dbraw/zinc/68/42/02/952684202.db2.gz JXHLBNDIJWSBRB-MRVPVSSYSA-N -1 1 379.833 1.825 20 0 GDADMM CC1(C(=O)N2C[C@@H]3C[C@H]2CN3c2nc(-c3nn[n-]n3)c(Cl)s2)CCC1 ZINC001571153285 952685218 /nfs/dbraw/zinc/68/52/18/952685218.db2.gz NEXDYLPRLUJBQQ-IUCAKERBSA-N -1 1 379.877 1.956 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ccn[nH]2)CCN1c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001571153293 952685437 /nfs/dbraw/zinc/68/54/37/952685437.db2.gz NKKXOPYHZDQVPC-RQJHMYQMSA-N -1 1 379.837 1.097 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ccn[nH]2)CCN1c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001571153293 952685442 /nfs/dbraw/zinc/68/54/42/952685442.db2.gz NKKXOPYHZDQVPC-RQJHMYQMSA-N -1 1 379.837 1.097 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@H]2CCN(C(=O)[C@@H](C)C(C)(F)F)C2)n1 ZINC001571154770 952689629 /nfs/dbraw/zinc/68/96/29/952689629.db2.gz BBHAACPKFBUNDV-MNOVXSKESA-N -1 1 380.403 1.294 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@H]2CCN(C(=O)[C@@H](C)C(C)(F)F)C2)n1 ZINC001571154770 952689631 /nfs/dbraw/zinc/68/96/31/952689631.db2.gz BBHAACPKFBUNDV-MNOVXSKESA-N -1 1 380.403 1.294 20 0 GDADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCO[C@@](C)(c2ccccc2)C1 ZINC001571154838 952690217 /nfs/dbraw/zinc/69/02/17/952690217.db2.gz CDGABWKTBZKLIJ-LJQANCHMSA-N -1 1 380.408 1.664 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1)C(C)(F)F ZINC001571155286 952695006 /nfs/dbraw/zinc/69/50/06/952695006.db2.gz MXSNKBXQFKXEMA-WDEREUQCSA-N -1 1 380.403 1.375 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1)C(C)(F)F ZINC001571155286 952695009 /nfs/dbraw/zinc/69/50/09/952695009.db2.gz MXSNKBXQFKXEMA-WDEREUQCSA-N -1 1 380.403 1.375 20 0 GDADMM Cc1cc(C(=O)NC[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)ccn1 ZINC001571156764 952704818 /nfs/dbraw/zinc/70/48/18/952704818.db2.gz JFMURAWDUHIUIJ-CYBMUJFWSA-N -1 1 379.428 1.007 20 0 GDADMM Cc1cc(C(=O)NC[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)ccn1 ZINC001571156764 952704821 /nfs/dbraw/zinc/70/48/21/952704821.db2.gz JFMURAWDUHIUIJ-CYBMUJFWSA-N -1 1 379.428 1.007 20 0 GDADMM Cc1cccnc1C(=O)NC1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571157078 952706291 /nfs/dbraw/zinc/70/62/91/952706291.db2.gz MGDMZLUHIHSYAO-UHFFFAOYSA-N -1 1 379.428 1.513 20 0 GDADMM Cc1cccnc1C(=O)NC1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571157078 952706295 /nfs/dbraw/zinc/70/62/95/952706295.db2.gz MGDMZLUHIHSYAO-UHFFFAOYSA-N -1 1 379.428 1.513 20 0 GDADMM Cc1ccncc1C(=O)N1CC[C@H]([C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571157141 952707016 /nfs/dbraw/zinc/70/70/16/952707016.db2.gz MXJVFNYCWOZPLM-OLZOCXBDSA-N -1 1 379.428 1.323 20 0 GDADMM Cc1ccncc1C(=O)N1CC[C@H]([C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571157141 952707019 /nfs/dbraw/zinc/70/70/19/952707019.db2.gz MXJVFNYCWOZPLM-OLZOCXBDSA-N -1 1 379.428 1.323 20 0 GDADMM COc1ccc(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001571158223 952710402 /nfs/dbraw/zinc/71/04/02/952710402.db2.gz FAWIHSAHIICLCU-CYBMUJFWSA-N -1 1 380.412 1.382 20 0 GDADMM COc1ccc(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001571158223 952710405 /nfs/dbraw/zinc/71/04/05/952710405.db2.gz FAWIHSAHIICLCU-CYBMUJFWSA-N -1 1 380.412 1.382 20 0 GDADMM Cc1ccc(C(=O)N[C@@]23CCC[C@H]2N(c2nccnc2-c2nnn[n-]2)CC3)o1 ZINC001571158719 952713890 /nfs/dbraw/zinc/71/38/90/952713890.db2.gz NIQDUQHGWHZRAB-FZKQIMNGSA-N -1 1 380.412 1.490 20 0 GDADMM Cc1ccc(C(=O)N[C@@]23CCC[C@H]2N(c2nccnc2-c2nn[n-]n2)CC3)o1 ZINC001571158719 952713892 /nfs/dbraw/zinc/71/38/92/952713892.db2.gz NIQDUQHGWHZRAB-FZKQIMNGSA-N -1 1 380.412 1.490 20 0 GDADMM Cc1cnc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@H]2C)cc1C ZINC001571158883 952714677 /nfs/dbraw/zinc/71/46/77/952714677.db2.gz SYQZYJLDTPMNKM-OLZOCXBDSA-N -1 1 379.428 1.384 20 0 GDADMM Cc1cnc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@H]2C)cc1C ZINC001571158883 952714683 /nfs/dbraw/zinc/71/46/83/952714683.db2.gz SYQZYJLDTPMNKM-OLZOCXBDSA-N -1 1 379.428 1.384 20 0 GDADMM Cc1cncc(C(=O)N2C[C@@H](C)[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571159613 952720329 /nfs/dbraw/zinc/72/03/29/952720329.db2.gz VAZGJBZVDBAYSO-OCCSQVGLSA-N -1 1 379.428 1.180 20 0 GDADMM Cc1cncc(C(=O)N2C[C@@H](C)[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571159613 952720332 /nfs/dbraw/zinc/72/03/32/952720332.db2.gz VAZGJBZVDBAYSO-OCCSQVGLSA-N -1 1 379.428 1.180 20 0 GDADMM Cc1ccc(OCC(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001571159722 952722415 /nfs/dbraw/zinc/72/24/15/952722415.db2.gz ZJIDENFMEDTDBO-CYBMUJFWSA-N -1 1 380.412 1.057 20 0 GDADMM Cc1ccc(OCC(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571159722 952722418 /nfs/dbraw/zinc/72/24/18/952722418.db2.gz ZJIDENFMEDTDBO-CYBMUJFWSA-N -1 1 380.412 1.057 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)[C@@H](C)C2)n1 ZINC001571160385 952726185 /nfs/dbraw/zinc/72/61/85/952726185.db2.gz ZWNLUWCCUZMBLM-AAEUAGOBSA-N -1 1 379.428 1.323 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)[C@@H](C)C2)n1 ZINC001571160385 952726188 /nfs/dbraw/zinc/72/61/88/952726188.db2.gz ZWNLUWCCUZMBLM-AAEUAGOBSA-N -1 1 379.428 1.323 20 0 GDADMM O=C(NCc1ccc(CNc2cncc(-c3nnn[n-]3)n2)cc1)[C@H]1CCCO1 ZINC001571161069 952730797 /nfs/dbraw/zinc/73/07/97/952730797.db2.gz PXWZETJJIJNXJZ-OAHLLOKOSA-N -1 1 380.412 1.064 20 0 GDADMM O=C(NCc1ccc(CNc2cncc(-c3nn[n-]n3)n2)cc1)[C@H]1CCCO1 ZINC001571161069 952730802 /nfs/dbraw/zinc/73/08/02/952730802.db2.gz PXWZETJJIJNXJZ-OAHLLOKOSA-N -1 1 380.412 1.064 20 0 GDADMM Cc1coc(C(=O)N2CCC[C@H]3[C@@H]2CCN3c2nccnc2-c2nnn[n-]2)c1 ZINC001571161250 952731614 /nfs/dbraw/zinc/73/16/14/952731614.db2.gz SOKJKFXUASCOPV-STQMWFEESA-N -1 1 380.412 1.442 20 0 GDADMM Cc1coc(C(=O)N2CCC[C@H]3[C@@H]2CCN3c2nccnc2-c2nn[n-]n2)c1 ZINC001571161250 952731617 /nfs/dbraw/zinc/73/16/17/952731617.db2.gz SOKJKFXUASCOPV-STQMWFEESA-N -1 1 380.412 1.442 20 0 GDADMM O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CCC[C@H]2[C@H]1CCN2c1nccnc1-c1nnn[n-]1 ZINC001571171547 952793566 /nfs/dbraw/zinc/79/35/66/952793566.db2.gz BSKRBUVHGOYSLI-XPABHHOTSA-N -1 1 380.456 1.273 20 0 GDADMM O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CCC[C@H]2[C@H]1CCN2c1nccnc1-c1nn[n-]n1 ZINC001571171547 952793570 /nfs/dbraw/zinc/79/35/70/952793570.db2.gz BSKRBUVHGOYSLI-XPABHHOTSA-N -1 1 380.456 1.273 20 0 GDADMM C[C@@H]1CN(C(=O)c2cnoc2C2CC2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571171598 952794585 /nfs/dbraw/zinc/79/45/85/952794585.db2.gz SYKJQEARQVHVSN-NOZJJQNGSA-N -1 1 381.400 1.095 20 0 GDADMM C[C@@H]1CN(C(=O)c2cnoc2C2CC2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571171598 952794588 /nfs/dbraw/zinc/79/45/88/952794588.db2.gz SYKJQEARQVHVSN-NOZJJQNGSA-N -1 1 381.400 1.095 20 0 GDADMM Cc1ncoc1C(=O)N1CC[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571172227 952804358 /nfs/dbraw/zinc/80/43/58/952804358.db2.gz QABDKFTUUZIOLQ-ZETCQYMHSA-N -1 1 380.821 1.600 20 0 GDADMM O=C([C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571172320 952805732 /nfs/dbraw/zinc/80/57/32/952805732.db2.gz SOXMQYVJXIRZLA-DEPYFDJDSA-N -1 1 380.456 1.352 20 0 GDADMM O=C([C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571172320 952805739 /nfs/dbraw/zinc/80/57/39/952805739.db2.gz SOXMQYVJXIRZLA-DEPYFDJDSA-N -1 1 380.456 1.352 20 0 GDADMM CCn1cccc(CNC(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)c1=O ZINC001571172850 952809314 /nfs/dbraw/zinc/80/93/14/952809314.db2.gz ZLAMPGXYNLWBAX-UHFFFAOYSA-N -1 1 380.821 1.480 20 0 GDADMM C[C@@H]1CN(C(=O)c2coc(C3CC3)n2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571175553 952821872 /nfs/dbraw/zinc/82/18/72/952821872.db2.gz UTYYXFRBGMJKSC-BXKDBHETSA-N -1 1 381.400 1.095 20 0 GDADMM C[C@@H]1CN(C(=O)c2coc(C3CC3)n2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571175553 952821877 /nfs/dbraw/zinc/82/18/77/952821877.db2.gz UTYYXFRBGMJKSC-BXKDBHETSA-N -1 1 381.400 1.095 20 0 GDADMM O=C(c1cnoc1C1CC1)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571178603 952843234 /nfs/dbraw/zinc/84/32/34/952843234.db2.gz OPFPPOJHLIIQSN-LLVKDONJSA-N -1 1 381.400 1.239 20 0 GDADMM O=C(c1cnoc1C1CC1)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571178603 952843241 /nfs/dbraw/zinc/84/32/41/952843241.db2.gz OPFPPOJHLIIQSN-LLVKDONJSA-N -1 1 381.400 1.239 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001571179896 952856404 /nfs/dbraw/zinc/85/64/04/952856404.db2.gz JPDGVKRUQAJIMS-UONOGXRCSA-N -1 1 381.444 1.004 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001571179896 952856407 /nfs/dbraw/zinc/85/64/07/952856407.db2.gz JPDGVKRUQAJIMS-UONOGXRCSA-N -1 1 381.444 1.004 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N(C)[C@@H]2CCN(C(=O)c3c[nH]cc3C)C2)n1 ZINC001571183438 952877261 /nfs/dbraw/zinc/87/72/61/952877261.db2.gz ADPIDEIEJJATGD-GFCCVEGCSA-N -1 1 381.444 1.207 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N(C)[C@@H]2CCN(C(=O)c3c[nH]cc3C)C2)n1 ZINC001571183438 952877263 /nfs/dbraw/zinc/87/72/63/952877263.db2.gz ADPIDEIEJJATGD-GFCCVEGCSA-N -1 1 381.444 1.207 20 0 GDADMM CCCc1[nH]ccc1C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571183786 952883457 /nfs/dbraw/zinc/88/34/57/952883457.db2.gz JNICATKUXLMIBK-HAQNSBGRSA-N -1 1 381.444 1.558 20 0 GDADMM CCCc1[nH]ccc1C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571183786 952883461 /nfs/dbraw/zinc/88/34/61/952883461.db2.gz JNICATKUXLMIBK-HAQNSBGRSA-N -1 1 381.444 1.558 20 0 GDADMM CCc1nc(N[C@@H]2C[C@H](C)N(C(=O)c3cccn3C)C2)cc(-c2nnn[n-]2)n1 ZINC001571183916 952884811 /nfs/dbraw/zinc/88/48/11/952884811.db2.gz MTWLCHZNAHNQPL-NWDGAFQWSA-N -1 1 381.444 1.273 20 0 GDADMM CCc1nc(N[C@@H]2C[C@H](C)N(C(=O)c3cccn3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571183916 952884815 /nfs/dbraw/zinc/88/48/15/952884815.db2.gz MTWLCHZNAHNQPL-NWDGAFQWSA-N -1 1 381.444 1.273 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CCCC[C@@H]1CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001571185048 952900236 /nfs/dbraw/zinc/90/02/36/952900236.db2.gz HKNMXQLZWXGUGS-CYBMUJFWSA-N -1 1 381.444 1.424 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CCCC[C@@H]1CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001571185048 952900237 /nfs/dbraw/zinc/90/02/37/952900237.db2.gz HKNMXQLZWXGUGS-CYBMUJFWSA-N -1 1 381.444 1.424 20 0 GDADMM Cc1[nH]ccc1C(=O)N[C@H]1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571185230 952900956 /nfs/dbraw/zinc/90/09/56/952900956.db2.gz JVMOKYWFUMGCME-JOCQHMNTSA-N -1 1 381.444 1.694 20 0 GDADMM Cc1[nH]ccc1C(=O)N[C@H]1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571185230 952900959 /nfs/dbraw/zinc/90/09/59/952900959.db2.gz JVMOKYWFUMGCME-JOCQHMNTSA-N -1 1 381.444 1.694 20 0 GDADMM Cc1ccc(C(=O)N(C)C2CC(Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)n1C ZINC001571185200 952901401 /nfs/dbraw/zinc/90/14/01/952901401.db2.gz JKPWYAKWRULDNG-UHFFFAOYSA-N -1 1 381.444 1.327 20 0 GDADMM Cc1ccc(C(=O)N(C)C2CC(Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)n1C ZINC001571185200 952901406 /nfs/dbraw/zinc/90/14/06/952901406.db2.gz JKPWYAKWRULDNG-UHFFFAOYSA-N -1 1 381.444 1.327 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCCCN2C(=O)c2cccn2C)n1 ZINC001571185681 952902863 /nfs/dbraw/zinc/90/28/63/952902863.db2.gz OEDPJOWVMZKSBC-CYBMUJFWSA-N -1 1 381.444 1.410 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCCCN2C(=O)c2cccn2C)n1 ZINC001571185681 952902870 /nfs/dbraw/zinc/90/28/70/952902870.db2.gz OEDPJOWVMZKSBC-CYBMUJFWSA-N -1 1 381.444 1.410 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@@H]2CC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)[nH]1 ZINC001571188348 952913407 /nfs/dbraw/zinc/91/34/07/952913407.db2.gz IZSQPNDIJQZRCT-QWHCGFSZSA-N -1 1 381.444 1.034 20 0 GDADMM Cc1ccn(C)c1C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)[C@H]1C ZINC001571188329 952913463 /nfs/dbraw/zinc/91/34/63/952913463.db2.gz IOFBSLCRMMSQBK-STQMWFEESA-N -1 1 381.444 1.091 20 0 GDADMM Cc1ccn(C)c1C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)[C@H]1C ZINC001571188329 952913468 /nfs/dbraw/zinc/91/34/68/952913468.db2.gz IOFBSLCRMMSQBK-STQMWFEESA-N -1 1 381.444 1.091 20 0 GDADMM O=C(Cc1ccc[nH]1)N1CCCC[C@@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001571188469 952915855 /nfs/dbraw/zinc/91/58/55/952915855.db2.gz BEVBOOURMHOTMH-CQSZACIVSA-N -1 1 381.444 1.411 20 0 GDADMM O=C(Cc1ccc[nH]1)N1CCCC[C@@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001571188469 952915856 /nfs/dbraw/zinc/91/58/56/952915856.db2.gz BEVBOOURMHOTMH-CQSZACIVSA-N -1 1 381.444 1.411 20 0 GDADMM Cc1ccn(C)c1C(=O)N[C@@H]1CC[C@@H](C)N(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571189049 952923929 /nfs/dbraw/zinc/92/39/29/952923929.db2.gz QXZPDYDRJWSVBO-CHWSQXEVSA-N -1 1 381.444 1.091 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@@H](N(C)c3cnc(-c4nnn[n-]4)cn3)C2)n1C ZINC001571189232 952926776 /nfs/dbraw/zinc/92/67/76/952926776.db2.gz SXOATZPJZSHBQD-CYBMUJFWSA-N -1 1 381.444 1.045 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@@H](N(C)c3cnc(-c4nn[n-]n4)cn3)C2)n1C ZINC001571189232 952926780 /nfs/dbraw/zinc/92/67/80/952926780.db2.gz SXOATZPJZSHBQD-CYBMUJFWSA-N -1 1 381.444 1.045 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)CC2)c(C)[nH]1 ZINC001571189578 952931268 /nfs/dbraw/zinc/93/12/68/952931268.db2.gz XOWWDLWOSOUXNL-CYBMUJFWSA-N -1 1 381.444 1.391 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)CC2)c(C)[nH]1 ZINC001571189578 952931273 /nfs/dbraw/zinc/93/12/73/952931273.db2.gz XOWWDLWOSOUXNL-CYBMUJFWSA-N -1 1 381.444 1.391 20 0 GDADMM C[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccccc1F ZINC001571195671 952978172 /nfs/dbraw/zinc/97/81/72/952978172.db2.gz DECMQNRPYMYBDR-NWDGAFQWSA-N -1 1 382.403 1.901 20 0 GDADMM C[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccccc1F ZINC001571195671 952978173 /nfs/dbraw/zinc/97/81/73/952978173.db2.gz DECMQNRPYMYBDR-NWDGAFQWSA-N -1 1 382.403 1.901 20 0 GDADMM Cc1cccc(F)c1C(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571195731 952978824 /nfs/dbraw/zinc/97/88/24/952978824.db2.gz FMJSBPBWNFUEGA-LBPRGKRZSA-N -1 1 382.403 1.821 20 0 GDADMM Cc1cccc(F)c1C(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571195731 952978829 /nfs/dbraw/zinc/97/88/29/952978829.db2.gz FMJSBPBWNFUEGA-LBPRGKRZSA-N -1 1 382.403 1.821 20 0 GDADMM Cc1cc(F)ccc1C(=O)NC1CC(CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571196359 952981283 /nfs/dbraw/zinc/98/12/83/952981283.db2.gz JKAZHYXRHKYILU-UHFFFAOYSA-N -1 1 382.403 1.725 20 0 GDADMM Cc1cc(F)ccc1C(=O)NC1CC(CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571196359 952981289 /nfs/dbraw/zinc/98/12/89/952981289.db2.gz JKAZHYXRHKYILU-UHFFFAOYSA-N -1 1 382.403 1.725 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NCC2CC(NC(=O)c3ccccc3F)C2)n1 ZINC001571196493 952982438 /nfs/dbraw/zinc/98/24/38/952982438.db2.gz LDHDCUCQVNCJNG-UHFFFAOYSA-N -1 1 382.403 1.725 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NCC2CC(NC(=O)c3ccccc3F)C2)n1 ZINC001571196493 952982446 /nfs/dbraw/zinc/98/24/46/952982446.db2.gz LDHDCUCQVNCJNG-UHFFFAOYSA-N -1 1 382.403 1.725 20 0 GDADMM CN(c1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)c2cccc(F)c2)C1 ZINC001571196775 952984371 /nfs/dbraw/zinc/98/43/71/952984371.db2.gz NTBIQGFXWDICJC-CQSZACIVSA-N -1 1 382.403 1.537 20 0 GDADMM C[C@H]1CN(C(=O)c2ccccc2F)CC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571196891 952984632 /nfs/dbraw/zinc/98/46/32/952984632.db2.gz PAOQWORSSMUJOT-SMDDNHRTSA-N -1 1 382.403 1.759 20 0 GDADMM C[C@H]1CN(C(=O)c2ccccc2F)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571196891 952984637 /nfs/dbraw/zinc/98/46/37/952984637.db2.gz PAOQWORSSMUJOT-SMDDNHRTSA-N -1 1 382.403 1.759 20 0 GDADMM CCc1nc(N[C@H]2CCN(C(=O)c3ccoc3)C[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571198778 952993739 /nfs/dbraw/zinc/99/37/39/952993739.db2.gz GFAOZYMEPJHSLG-YPMHNXCESA-N -1 1 382.428 1.775 20 0 GDADMM CCc1nc(N[C@H]2CCN(C(=O)c3ccoc3)C[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571198778 952993740 /nfs/dbraw/zinc/99/37/40/952993740.db2.gz GFAOZYMEPJHSLG-YPMHNXCESA-N -1 1 382.428 1.775 20 0 GDADMM CCN(C(=O)c1c(C)coc1C)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571199445 952999186 /nfs/dbraw/zinc/99/91/86/952999186.db2.gz RHEGCPUYKAFBLN-ZDUSSCGKSA-N -1 1 382.428 1.608 20 0 GDADMM CCCc1occc1C(=O)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571199999 953006474 /nfs/dbraw/zinc/00/64/74/953006474.db2.gz GUZPPCRCZAJMRX-UHFFFAOYSA-N -1 1 382.428 1.919 20 0 GDADMM CCCc1occc1C(=O)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571199999 953006478 /nfs/dbraw/zinc/00/64/78/953006478.db2.gz GUZPPCRCZAJMRX-UHFFFAOYSA-N -1 1 382.428 1.919 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2(C)C)o1 ZINC001571200039 953006856 /nfs/dbraw/zinc/00/68/56/953006856.db2.gz ABPFYZNWUHJMOI-AWEZNQCLSA-N -1 1 382.428 1.593 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2(C)C)o1 ZINC001571200039 953006860 /nfs/dbraw/zinc/00/68/60/953006860.db2.gz ABPFYZNWUHJMOI-AWEZNQCLSA-N -1 1 382.428 1.593 20 0 GDADMM O=C(N[C@@H]1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)c1cccc(F)c1 ZINC001571200418 953008833 /nfs/dbraw/zinc/00/88/33/953008833.db2.gz ILCJKNBSTYFYIF-SMDDNHRTSA-N -1 1 382.403 1.806 20 0 GDADMM O=C(N[C@@H]1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)c1cccc(F)c1 ZINC001571200418 953008834 /nfs/dbraw/zinc/00/88/34/953008834.db2.gz ILCJKNBSTYFYIF-SMDDNHRTSA-N -1 1 382.403 1.806 20 0 GDADMM CCCc1occc1C(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571200497 953010042 /nfs/dbraw/zinc/01/00/42/953010042.db2.gz JFGRUVIIZMIRON-GFCCVEGCSA-N -1 1 382.428 1.519 20 0 GDADMM CCCc1occc1C(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571200497 953010044 /nfs/dbraw/zinc/01/00/44/953010044.db2.gz JFGRUVIIZMIRON-GFCCVEGCSA-N -1 1 382.428 1.519 20 0 GDADMM Cc1coc(C)c1C(=O)N1CC[C@H]([C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571201761 953019660 /nfs/dbraw/zinc/01/96/60/953019660.db2.gz NVFSHYPUZONMMF-YPMHNXCESA-N -1 1 382.428 1.829 20 0 GDADMM Cc1coc(C)c1C(=O)N1CC[C@H]([C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571201761 953019665 /nfs/dbraw/zinc/01/96/65/953019665.db2.gz NVFSHYPUZONMMF-YPMHNXCESA-N -1 1 382.428 1.829 20 0 GDADMM Cc1cc(C(=O)N[C@@H](C)[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)co1 ZINC001571202567 953027150 /nfs/dbraw/zinc/02/71/50/953027150.db2.gz VCZYLMZSAQHEEQ-QWHCGFSZSA-N -1 1 382.428 1.593 20 0 GDADMM Cc1cc(C(=O)N[C@@H](C)[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)co1 ZINC001571202567 953027156 /nfs/dbraw/zinc/02/71/56/953027156.db2.gz VCZYLMZSAQHEEQ-QWHCGFSZSA-N -1 1 382.428 1.593 20 0 GDADMM CC(C)n1cnc(C(=O)N2CCC[C@H]2CNc2cncc(-c3nnn[n-]3)n2)c1 ZINC001571205904 953043674 /nfs/dbraw/zinc/04/36/74/953043674.db2.gz NWSUVKXYCTXVSU-LBPRGKRZSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1cnc(C(=O)N2CCC[C@H]2CNc2cncc(-c3nn[n-]n3)n2)c1 ZINC001571205904 953043678 /nfs/dbraw/zinc/04/36/78/953043678.db2.gz NWSUVKXYCTXVSU-LBPRGKRZSA-N -1 1 382.432 1.151 20 0 GDADMM Cc1nc[nH]c1C(=O)N1CCCC[C@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001571206056 953045600 /nfs/dbraw/zinc/04/56/00/953045600.db2.gz CUVJJUDOGVOZTM-LBPRGKRZSA-N -1 1 382.432 1.185 20 0 GDADMM Cc1nc(C)c(C(=O)N2CCC[C@@H]2CNc2nc(C)cc(-c3nn[n-]n3)n2)[nH]1 ZINC001571207010 953058346 /nfs/dbraw/zinc/05/83/46/953058346.db2.gz LMNPHTVPGNCUDO-GFCCVEGCSA-N -1 1 382.432 1.022 20 0 GDADMM Cc1c[nH]c(C(=O)N2CCCC[C@@H]2[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001571207040 953058726 /nfs/dbraw/zinc/05/87/26/953058726.db2.gz LTOKSEGCKMFDMG-WCQYABFASA-N -1 1 382.432 1.184 20 0 GDADMM Cc1c[nH]c(C(=O)N2CCCC[C@@H]2[C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001571207040 953058730 /nfs/dbraw/zinc/05/87/30/953058730.db2.gz LTOKSEGCKMFDMG-WCQYABFASA-N -1 1 382.432 1.184 20 0 GDADMM CN(c1cnc(-c2nnn[n-]2)cn1)C1CCN(C(=O)[C@]23C[C@H]2CCCC3)CC1 ZINC001571211560 953078949 /nfs/dbraw/zinc/07/89/49/953078949.db2.gz BRHHJWZODBCEMK-BFUOFWGJSA-N -1 1 382.472 1.664 20 0 GDADMM CN(c1cnc(-c2nn[n-]n2)cn1)C1CCN(C(=O)[C@]23C[C@H]2CCCC3)CC1 ZINC001571211560 953078952 /nfs/dbraw/zinc/07/89/52/953078952.db2.gz BRHHJWZODBCEMK-BFUOFWGJSA-N -1 1 382.472 1.664 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001571211731 953080457 /nfs/dbraw/zinc/08/04/57/953080457.db2.gz DPOAFHXBLPRPQR-CFVMTHIKSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC001571212033 953082274 /nfs/dbraw/zinc/08/22/74/953082274.db2.gz HOORRFBIUUGUDH-BYCMXARLSA-N -1 1 382.472 1.164 20 0 GDADMM C[C@H]1C[C@@H](NC(=O)C2CC3(CCC3)C2)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571212086 953084306 /nfs/dbraw/zinc/08/43/06/953084306.db2.gz IPLHBPNUMQIGMI-JSGCOSHPSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H]1C[C@@H](NC(=O)C2CC3(CCC3)C2)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571212086 953084311 /nfs/dbraw/zinc/08/43/11/953084311.db2.gz IPLHBPNUMQIGMI-JSGCOSHPSA-N -1 1 382.472 1.711 20 0 GDADMM CN(c1ccnc(-c2nn[n-]n2)n1)[C@H]1CCCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001571212271 953085755 /nfs/dbraw/zinc/08/57/55/953085755.db2.gz KIHNJUZKCLXMOC-TTZDDIAXSA-N -1 1 382.472 1.520 20 0 GDADMM O=C(CC1CC1)N1CCC[C@H]([C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571217238 953106583 /nfs/dbraw/zinc/10/65/83/953106583.db2.gz CWTLROYAQSTJCA-GJZGRUSLSA-N -1 1 382.472 1.522 20 0 GDADMM O=C(CC1CC1)N1CCC[C@H]([C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571217238 953106584 /nfs/dbraw/zinc/10/65/84/953106584.db2.gz CWTLROYAQSTJCA-GJZGRUSLSA-N -1 1 382.472 1.522 20 0 GDADMM O=C(CC1CCCCC1)N1CC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571217325 953107008 /nfs/dbraw/zinc/10/70/08/953107008.db2.gz FOBBUFQBGFOYAS-LSDHHAIUSA-N -1 1 382.472 1.664 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)c3cncc(F)c3)C2)cc(-c2nnn[n-]2)n1 ZINC001571217406 953108431 /nfs/dbraw/zinc/10/84/31/953108431.db2.gz KZSXBEYRSCJEDI-GFCCVEGCSA-N -1 1 383.391 1.080 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)c3cncc(F)c3)C2)cc(-c2nn[n-]n2)n1 ZINC001571217406 953108434 /nfs/dbraw/zinc/10/84/34/953108434.db2.gz KZSXBEYRSCJEDI-GFCCVEGCSA-N -1 1 383.391 1.080 20 0 GDADMM O=C([C@@H]1CC[C@@H]2C[C@@H]2CC1)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571218070 953112614 /nfs/dbraw/zinc/11/26/14/953112614.db2.gz LEGBQKRONDTDRH-APIJFGDWSA-N -1 1 382.472 1.886 20 0 GDADMM O=C([C@@H]1CC[C@@H]2C[C@@H]2CC1)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571218070 953112617 /nfs/dbraw/zinc/11/26/17/953112617.db2.gz LEGBQKRONDTDRH-APIJFGDWSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(F)cn2)CC[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571218695 953118210 /nfs/dbraw/zinc/11/82/10/953118210.db2.gz YVECWNVRMZREAO-JQWIXIFHSA-N -1 1 383.391 1.154 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(F)cn2)CC[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571218695 953118214 /nfs/dbraw/zinc/11/82/14/953118214.db2.gz YVECWNVRMZREAO-JQWIXIFHSA-N -1 1 383.391 1.154 20 0 GDADMM O=C([C@@H]1CCCC12CC2)N1CC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571218746 953118920 /nfs/dbraw/zinc/11/89/20/953118920.db2.gz PRPAFRMWWVRHCI-KGLIPLIRSA-N -1 1 382.472 1.888 20 0 GDADMM O=C([C@@H]1CCCC12CC2)N1CC[C@@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571218746 953118925 /nfs/dbraw/zinc/11/89/25/953118925.db2.gz PRPAFRMWWVRHCI-KGLIPLIRSA-N -1 1 382.472 1.888 20 0 GDADMM O=C(NC[C@H]1CCCCCN1c1cnc(-c2nnn[n-]2)cn1)C1CC2(CC2)C1 ZINC001571218818 953119745 /nfs/dbraw/zinc/11/97/45/953119745.db2.gz RRMDJODYVVDJTA-CQSZACIVSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(NC[C@H]1CCCCCN1c1cnc(-c2nn[n-]n2)cn1)C1CC2(CC2)C1 ZINC001571218818 953119747 /nfs/dbraw/zinc/11/97/47/953119747.db2.gz RRMDJODYVVDJTA-CQSZACIVSA-N -1 1 382.472 1.712 20 0 GDADMM CCc1nc(C(=O)N2CC[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)[C@H]2C)co1 ZINC001571222211 953132648 /nfs/dbraw/zinc/13/26/48/953132648.db2.gz FRKAOCGXUQZWPH-MNOVXSKESA-N -1 1 383.416 1.231 20 0 GDADMM CCc1nc(C(=O)N2CC[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)[C@H]2C)co1 ZINC001571222211 953132651 /nfs/dbraw/zinc/13/26/51/953132651.db2.gz FRKAOCGXUQZWPH-MNOVXSKESA-N -1 1 383.416 1.231 20 0 GDADMM CC[C@H]1CN(C(=O)c2cc(C)no2)CC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571222391 953134173 /nfs/dbraw/zinc/13/41/73/953134173.db2.gz HPARBTQBOSRBFM-NWDGAFQWSA-N -1 1 383.416 1.306 20 0 GDADMM CC[C@H]1CN(C(=O)c2cc(C)no2)CC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571222391 953134174 /nfs/dbraw/zinc/13/41/74/953134174.db2.gz HPARBTQBOSRBFM-NWDGAFQWSA-N -1 1 383.416 1.306 20 0 GDADMM Cc1nc(C(=O)N2CCC[C@@H]2CN(C)c2ccnc(-c3nn[n-]n3)n2)c(C)o1 ZINC001571226455 953155936 /nfs/dbraw/zinc/15/59/36/953155936.db2.gz RDAKGFVJPZHQQM-GFCCVEGCSA-N -1 1 383.416 1.003 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)[C@H]2CCCN(C(=O)c3cnco3)C2)n1 ZINC001571227122 953158372 /nfs/dbraw/zinc/15/83/72/953158372.db2.gz ZEZVIGJVCOCRHJ-RYUDHWBXSA-N -1 1 383.416 1.306 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)[C@H]2CCCN(C(=O)c3cnco3)C2)n1 ZINC001571227122 953158374 /nfs/dbraw/zinc/15/83/74/953158374.db2.gz ZEZVIGJVCOCRHJ-RYUDHWBXSA-N -1 1 383.416 1.306 20 0 GDADMM Cc1nsc(N2CC[C@H](N(C)C(=O)[C@H]3C[C@@H]3C(F)F)C2)c1-c1nn[n-]n1 ZINC001571229453 953169950 /nfs/dbraw/zinc/16/99/50/953169950.db2.gz FRZYXGXRLKDZHI-GUBZILKMSA-N -1 1 383.428 1.570 20 0 GDADMM COc1c(Br)c(C)sc1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001571234760 953205443 /nfs/dbraw/zinc/20/54/43/953205443.db2.gz HYHVASVKJAZPDD-UHFFFAOYSA-N -1 1 384.219 1.983 20 0 GDADMM COc1c(Br)c(C)sc1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001571234760 953205444 /nfs/dbraw/zinc/20/54/44/953205444.db2.gz HYHVASVKJAZPDD-UHFFFAOYSA-N -1 1 384.219 1.983 20 0 GDADMM O=C(c1csnn1)N1CC[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571234933 953206912 /nfs/dbraw/zinc/20/69/12/953206912.db2.gz NGMKUSTWEYKGHX-YFKPBYRVSA-N -1 1 383.850 1.155 20 0 GDADMM O=C(c1csnn1)N1CC[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571234933 953206913 /nfs/dbraw/zinc/20/69/13/953206913.db2.gz NGMKUSTWEYKGHX-YFKPBYRVSA-N -1 1 383.850 1.155 20 0 GDADMM C[C@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571235119 953208802 /nfs/dbraw/zinc/20/88/02/953208802.db2.gz UKGCABKGFWWBFJ-FNCVBFRFSA-N -1 1 383.865 1.461 20 0 GDADMM C[C@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571235119 953208804 /nfs/dbraw/zinc/20/88/04/953208804.db2.gz UKGCABKGFWWBFJ-FNCVBFRFSA-N -1 1 383.865 1.461 20 0 GDADMM Cc1ccsc1C(=O)NC1CC(CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571245024 953269781 /nfs/dbraw/zinc/26/97/81/953269781.db2.gz MEDGOLVOAWJIPZ-UHFFFAOYSA-N -1 1 384.469 1.956 20 0 GDADMM Cc1ccsc1C(=O)NC1CC(CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571245024 953269783 /nfs/dbraw/zinc/26/97/83/953269783.db2.gz MEDGOLVOAWJIPZ-UHFFFAOYSA-N -1 1 384.469 1.956 20 0 GDADMM CCc1ccc(C(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)s1 ZINC001571245032 953269878 /nfs/dbraw/zinc/26/98/78/953269878.db2.gz MLKUWELPMMVLQU-LLVKDONJSA-N -1 1 384.469 1.419 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)c2cc(C)cs2)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571245189 953271660 /nfs/dbraw/zinc/27/16/60/953271660.db2.gz PBRRAXLJNNZJQE-NWDGAFQWSA-N -1 1 384.469 1.814 20 0 GDADMM CCN(C(=O)c1cc(C)cs1)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571245778 953276577 /nfs/dbraw/zinc/27/65/77/953276577.db2.gz YVLNDNLZZQPYHI-LBPRGKRZSA-N -1 1 384.469 1.768 20 0 GDADMM CCN(C(=O)c1cc(C)cs1)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571245778 953276579 /nfs/dbraw/zinc/27/65/79/953276579.db2.gz YVLNDNLZZQPYHI-LBPRGKRZSA-N -1 1 384.469 1.768 20 0 GDADMM C[C@H](C(=O)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)c1ccsc1 ZINC001571246050 953279257 /nfs/dbraw/zinc/27/92/57/953279257.db2.gz RGRHUACNKOSQAF-LBPRGKRZSA-N -1 1 384.469 1.561 20 0 GDADMM C[C@H](C(=O)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)c1ccsc1 ZINC001571246050 953279262 /nfs/dbraw/zinc/27/92/62/953279262.db2.gz RGRHUACNKOSQAF-LBPRGKRZSA-N -1 1 384.469 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/nfs/dbraw/zinc/84/14/62/598841462.db2.gz QUQBBKDRDAZVCU-LURJTMIESA-N -1 1 395.210 1.411 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCCCN1CCCC1=O ZINC000737549763 598842511 /nfs/dbraw/zinc/84/25/11/598842511.db2.gz YKMUACOTTBFPOU-UHFFFAOYSA-N -1 1 384.396 1.728 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCCCN1CCCC1=O ZINC000737549763 598842512 /nfs/dbraw/zinc/84/25/12/598842512.db2.gz YKMUACOTTBFPOU-UHFFFAOYSA-N -1 1 384.396 1.728 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OCCCOC(C)C ZINC000737487882 598844254 /nfs/dbraw/zinc/84/42/54/598844254.db2.gz OQFHEYHCRNPCQW-UHFFFAOYSA-N -1 1 387.444 1.817 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OCCCOC(C)C ZINC000737487882 598844256 /nfs/dbraw/zinc/84/42/56/598844256.db2.gz OQFHEYHCRNPCQW-UHFFFAOYSA-N -1 1 387.444 1.817 20 0 GDADMM CC(=O)NC[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000735476251 598873445 /nfs/dbraw/zinc/87/34/45/598873445.db2.gz WSKIWAIOYJITTR-NSHDSACASA-N -1 1 398.876 1.057 20 0 GDADMM CC(=O)NC[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000735476251 598873447 /nfs/dbraw/zinc/87/34/47/598873447.db2.gz WSKIWAIOYJITTR-NSHDSACASA-N -1 1 398.876 1.057 20 0 GDADMM CCOC[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C1 ZINC000736607901 598878160 /nfs/dbraw/zinc/87/81/60/598878160.db2.gz BWHFYTZHLUBMOD-JTQLQIEISA-N -1 1 378.458 1.578 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@H](C)Cn1ccnc1 ZINC000737201559 598929817 /nfs/dbraw/zinc/92/98/17/598929817.db2.gz UJYBAKVYCUWYTR-NSHDSACASA-N -1 1 384.444 1.166 20 0 GDADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1cccc(-c2nnnn2C)c1 ZINC000737301711 598930617 /nfs/dbraw/zinc/93/06/17/598930617.db2.gz QZFIPKBUAFNVOA-UHFFFAOYSA-N -1 1 397.424 1.166 20 0 GDADMM CCCN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736472033 598982150 /nfs/dbraw/zinc/98/21/50/598982150.db2.gz RYAFCHHJVVYLDF-CQSZACIVSA-N -1 1 380.408 1.954 20 0 GDADMM CCCN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736472033 598982151 /nfs/dbraw/zinc/98/21/51/598982151.db2.gz RYAFCHHJVVYLDF-CQSZACIVSA-N -1 1 380.408 1.954 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000738258210 598984801 /nfs/dbraw/zinc/98/48/01/598984801.db2.gz IEUALKHIOPBENJ-UHFFFAOYSA-N -1 1 383.843 1.873 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000738258210 598984803 /nfs/dbraw/zinc/98/48/03/598984803.db2.gz IEUALKHIOPBENJ-UHFFFAOYSA-N -1 1 383.843 1.873 20 0 GDADMM Cn1ccnc1[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc(F)c1 ZINC000737616189 598985026 /nfs/dbraw/zinc/98/50/26/598985026.db2.gz ONMWFVHPGOKGRZ-OAHLLOKOSA-N -1 1 378.371 1.654 20 0 GDADMM Cn1ccnc1[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc(F)c1 ZINC000737616189 598985027 /nfs/dbraw/zinc/98/50/27/598985027.db2.gz ONMWFVHPGOKGRZ-OAHLLOKOSA-N -1 1 378.371 1.654 20 0 GDADMM O=C(NC[C@H](c1ccccc1)N1CCOCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738036381 598988323 /nfs/dbraw/zinc/98/83/23/598988323.db2.gz BOBQZLLAFZLACZ-QGZVFWFLSA-N -1 1 379.424 1.065 20 0 GDADMM O=C(NC[C@H](c1ccccc1)N1CCOCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738036381 598988325 /nfs/dbraw/zinc/98/83/25/598988325.db2.gz BOBQZLLAFZLACZ-QGZVFWFLSA-N -1 1 379.424 1.065 20 0 GDADMM CCOc1cccc(N2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)n1 ZINC000736656419 599004163 /nfs/dbraw/zinc/00/41/63/599004163.db2.gz YBHHAAANADFHBE-UHFFFAOYSA-N -1 1 380.412 1.018 20 0 GDADMM CCOc1cccc(N2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)n1 ZINC000736656419 599004165 /nfs/dbraw/zinc/00/41/65/599004165.db2.gz YBHHAAANADFHBE-UHFFFAOYSA-N -1 1 380.412 1.018 20 0 GDADMM CCOC(=O)CN(CCc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736596891 599005500 /nfs/dbraw/zinc/00/55/00/599005500.db2.gz UIDKXCJOIHTFBQ-UHFFFAOYSA-N -1 1 380.408 1.510 20 0 GDADMM CCOC(=O)CN(CCc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736596891 599005502 /nfs/dbraw/zinc/00/55/02/599005502.db2.gz UIDKXCJOIHTFBQ-UHFFFAOYSA-N -1 1 380.408 1.510 20 0 GDADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1cccc(C[S@](C)=O)c1 ZINC000737301416 599018449 /nfs/dbraw/zinc/01/84/49/599018449.db2.gz MJQFZMQYOBPUQE-VWLOTQADSA-N -1 1 391.478 1.854 20 0 GDADMM O=C(c1ccsc1)N1CCCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000738257663 599024576 /nfs/dbraw/zinc/02/45/76/599024576.db2.gz BHNSCPWOVVGTDR-UHFFFAOYSA-N -1 1 383.437 1.312 20 0 GDADMM O=C(c1ccsc1)N1CCCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000738257663 599024578 /nfs/dbraw/zinc/02/45/78/599024578.db2.gz BHNSCPWOVVGTDR-UHFFFAOYSA-N -1 1 383.437 1.312 20 0 GDADMM CCCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736497425 599025430 /nfs/dbraw/zinc/02/54/30/599025430.db2.gz HBLAYSCKLZMINW-UHFFFAOYSA-N -1 1 387.425 1.666 20 0 GDADMM CCCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736497425 599025432 /nfs/dbraw/zinc/02/54/32/599025432.db2.gz HBLAYSCKLZMINW-UHFFFAOYSA-N -1 1 387.425 1.666 20 0 GDADMM O=C(Oc1ccccc1)N1CCCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000738248016 599029222 /nfs/dbraw/zinc/02/92/22/599029222.db2.gz UYUOIPDNULGYFS-UHFFFAOYSA-N -1 1 393.407 1.609 20 0 GDADMM O=C(Oc1ccccc1)N1CCCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000738248016 599029223 /nfs/dbraw/zinc/02/92/23/599029223.db2.gz UYUOIPDNULGYFS-UHFFFAOYSA-N -1 1 393.407 1.609 20 0 GDADMM O=C(c1ccncc1F)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000738290181 599043269 /nfs/dbraw/zinc/04/32/69/599043269.db2.gz OGEJKRQEMQRNHW-UHFFFAOYSA-N -1 1 384.375 1.229 20 0 GDADMM Cn1ccc(N2CCC[C@H](Nc3snc(Cl)c3-c3nnn[n-]3)C2=O)n1 ZINC000822688926 599065765 /nfs/dbraw/zinc/06/57/65/599065765.db2.gz DUOQTIXYCJGJEB-ZETCQYMHSA-N -1 1 379.837 1.318 20 0 GDADMM Cn1ccc(N2CCC[C@H](Nc3snc(Cl)c3-c3nn[n-]n3)C2=O)n1 ZINC000822688926 599065768 /nfs/dbraw/zinc/06/57/68/599065768.db2.gz DUOQTIXYCJGJEB-ZETCQYMHSA-N -1 1 379.837 1.318 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC(C)(C)c1cnn(C)c1 ZINC000737200254 599090024 /nfs/dbraw/zinc/09/00/24/599090024.db2.gz LAKRUNNKKVIFQR-UHFFFAOYSA-N -1 1 384.444 1.302 20 0 GDADMM CCc1ccc([C@H]2C[C@H](C)CCN2c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)o1 ZINC000821480832 599110850 /nfs/dbraw/zinc/11/08/50/599110850.db2.gz FKNBTGZZNSKDGD-DGCLKSJQSA-N -1 1 399.455 1.397 20 0 GDADMM CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)c1C ZINC000735498277 599131366 /nfs/dbraw/zinc/13/13/66/599131366.db2.gz XGRNYUKCOXNCIC-NSHDSACASA-N -1 1 382.380 1.837 20 0 GDADMM CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)c1C ZINC000735498277 599131368 /nfs/dbraw/zinc/13/13/68/599131368.db2.gz XGRNYUKCOXNCIC-NSHDSACASA-N -1 1 382.380 1.837 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)NCC1(c2ccccc2)CC1 ZINC000737908927 599132896 /nfs/dbraw/zinc/13/28/96/599132896.db2.gz MMEGXNMMHNDWEM-UHFFFAOYSA-N -1 1 378.392 1.267 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)NCC1(c2ccccc2)CC1 ZINC000737908927 599132897 /nfs/dbraw/zinc/13/28/97/599132897.db2.gz MMEGXNMMHNDWEM-UHFFFAOYSA-N -1 1 378.392 1.267 20 0 GDADMM O=C(NC1CC1)[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)cc1 ZINC000738211942 599132925 /nfs/dbraw/zinc/13/29/25/599132925.db2.gz AOYMZJZLEWFLPQ-HNNXBMFYSA-N -1 1 382.355 1.578 20 0 GDADMM O=C(NC1CC1)[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)cc1 ZINC000738211942 599132927 /nfs/dbraw/zinc/13/29/27/599132927.db2.gz AOYMZJZLEWFLPQ-HNNXBMFYSA-N -1 1 382.355 1.578 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000736157296 599137522 /nfs/dbraw/zinc/13/75/22/599137522.db2.gz JZKAZSPUDLXPEZ-SMDDNHRTSA-N -1 1 394.391 1.447 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000736157296 599137526 /nfs/dbraw/zinc/13/75/26/599137526.db2.gz JZKAZSPUDLXPEZ-SMDDNHRTSA-N -1 1 394.391 1.447 20 0 GDADMM COc1ccccc1CNC(=O)[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737150087 599138474 /nfs/dbraw/zinc/13/84/74/599138474.db2.gz MGTFHZPTIXIETB-LLVKDONJSA-N -1 1 382.380 1.132 20 0 GDADMM COc1ccccc1CNC(=O)[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737150087 599138476 /nfs/dbraw/zinc/13/84/76/599138476.db2.gz MGTFHZPTIXIETB-LLVKDONJSA-N -1 1 382.380 1.132 20 0 GDADMM COc1ccc(NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1Cl ZINC000737105135 599138981 /nfs/dbraw/zinc/13/89/81/599138981.db2.gz ZVUFUZXRFLHCSD-UHFFFAOYSA-N -1 1 388.771 1.719 20 0 GDADMM COc1ccc(NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1Cl ZINC000737105135 599138983 /nfs/dbraw/zinc/13/89/83/599138983.db2.gz ZVUFUZXRFLHCSD-UHFFFAOYSA-N -1 1 388.771 1.719 20 0 GDADMM Cc1ccccc1CN(C)C(=O)[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737428442 599139672 /nfs/dbraw/zinc/13/96/72/599139672.db2.gz XDHLQXUSBJCVGZ-CYBMUJFWSA-N -1 1 380.408 1.774 20 0 GDADMM Cc1ccccc1CN(C)C(=O)[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737428442 599139674 /nfs/dbraw/zinc/13/96/74/599139674.db2.gz XDHLQXUSBJCVGZ-CYBMUJFWSA-N -1 1 380.408 1.774 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)Nc1cc(Cl)ccc1F ZINC000737909173 599141216 /nfs/dbraw/zinc/14/12/16/599141216.db2.gz PUZAZFQRRBVMAN-UHFFFAOYSA-N -1 1 376.735 1.850 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)Nc1cc(Cl)ccc1F ZINC000737909173 599141220 /nfs/dbraw/zinc/14/12/20/599141220.db2.gz PUZAZFQRRBVMAN-UHFFFAOYSA-N -1 1 376.735 1.850 20 0 GDADMM Cc1nn2cc(CCCOC(=O)c3ccc(-c4nnn[n-]4)nc3)cnc2c1C ZINC000737523738 599154255 /nfs/dbraw/zinc/15/42/55/599154255.db2.gz RYGAZUKKAZILSB-UHFFFAOYSA-N -1 1 378.396 1.711 20 0 GDADMM Cc1nn2cc(CCCOC(=O)c3ccc(-c4nn[n-]n4)nc3)cnc2c1C ZINC000737523738 599154257 /nfs/dbraw/zinc/15/42/57/599154257.db2.gz RYGAZUKKAZILSB-UHFFFAOYSA-N -1 1 378.396 1.711 20 0 GDADMM O=S(=O)(N[C@@H]1C[C@@H]1c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)nc1 ZINC000738328016 599179364 /nfs/dbraw/zinc/17/93/64/599179364.db2.gz BCJITEPANWFAEW-TVQRCGJNSA-N -1 1 378.364 1.374 20 0 GDADMM O=S(=O)(N[C@@H]1C[C@@H]1c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)nc1 ZINC000738328016 599179366 /nfs/dbraw/zinc/17/93/66/599179366.db2.gz BCJITEPANWFAEW-TVQRCGJNSA-N -1 1 378.364 1.374 20 0 GDADMM C[C@H](O)C[C@@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000820475316 607259586 /nfs/dbraw/zinc/25/95/86/607259586.db2.gz ZYHCZWMOCBLJSQ-JSGCOSHPSA-N -1 1 388.453 1.095 20 0 GDADMM C[C@H](O)C[C@@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000820475316 607259587 /nfs/dbraw/zinc/25/95/87/607259587.db2.gz ZYHCZWMOCBLJSQ-JSGCOSHPSA-N -1 1 388.453 1.095 20 0 GDADMM C[C@H](NC(=O)CNC(=O)CN1CCC[C@@H](CC(=O)[O-])C1)c1ccc(F)cc1 ZINC000532881133 597069521 /nfs/dbraw/zinc/06/95/21/597069521.db2.gz IQZMKSPHVHSUKJ-KBPBESRZSA-N -1 1 379.432 1.306 20 0 GDADMM O=C([O-])CNC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O ZINC000740484796 597121915 /nfs/dbraw/zinc/12/19/15/597121915.db2.gz DZHXRTZVCGSLDF-UHFFFAOYSA-N -1 1 384.797 1.661 20 0 GDADMM O=C(c1ccco1)N1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000738286462 599253614 /nfs/dbraw/zinc/25/36/14/599253614.db2.gz OVZGTTXEHZNXDW-UHFFFAOYSA-N -1 1 375.392 1.970 20 0 GDADMM O=C(c1ccco1)N1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000738286462 599253615 /nfs/dbraw/zinc/25/36/15/599253615.db2.gz OVZGTTXEHZNXDW-UHFFFAOYSA-N -1 1 375.392 1.970 20 0 GDADMM CN1CC[C@H](NC(=O)C(=O)Nc2ccccc2CC(=O)[O-])[C@H]1c1ccccc1 ZINC000820620188 597421175 /nfs/dbraw/zinc/42/11/75/597421175.db2.gz IQUDXPGEMSFLAT-PKOBYXMFSA-N -1 1 381.432 1.814 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCC1(CCO)CCC1 ZINC000822458992 607319674 /nfs/dbraw/zinc/31/96/74/607319674.db2.gz MAGOIPQXQXPMJQ-UHFFFAOYSA-N -1 1 398.471 1.128 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCC1(CCO)CCC1 ZINC000822458992 607319675 /nfs/dbraw/zinc/31/96/75/607319675.db2.gz MAGOIPQXQXPMJQ-UHFFFAOYSA-N -1 1 398.471 1.128 20 0 GDADMM CCC(O)(CC)CNC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000736369034 599281201 /nfs/dbraw/zinc/28/12/01/599281201.db2.gz JXMZAGVQTJNYJA-UHFFFAOYSA-N -1 1 386.460 1.126 20 0 GDADMM CCC(O)(CC)CNC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000736369034 599281204 /nfs/dbraw/zinc/28/12/04/599281204.db2.gz JXMZAGVQTJNYJA-UHFFFAOYSA-N -1 1 386.460 1.126 20 0 GDADMM CN(CC(=O)NCc1cccs1)c1c2ccccc2nnc1-c1nnn[n-]1 ZINC000821592511 607329314 /nfs/dbraw/zinc/32/93/14/607329314.db2.gz JKQCVLAGNIGEHS-UHFFFAOYSA-N -1 1 380.437 1.624 20 0 GDADMM CN(CC(=O)NCc1cccs1)c1c2ccccc2nnc1-c1nn[n-]n1 ZINC000821592511 607329315 /nfs/dbraw/zinc/32/93/15/607329315.db2.gz JKQCVLAGNIGEHS-UHFFFAOYSA-N -1 1 380.437 1.624 20 0 GDADMM Cn1c(Sc2cccc(F)c2-c2nnn[n-]2)nnc1[C@@H]1CCS(=O)(=O)C1 ZINC000737591639 598236429 /nfs/dbraw/zinc/23/64/29/598236429.db2.gz IKXSSCRKHYKPHR-MRVPVSSYSA-N -1 1 395.445 1.188 20 0 GDADMM Cn1c(Sc2cccc(F)c2-c2nn[n-]n2)nnc1[C@@H]1CCS(=O)(=O)C1 ZINC000737591639 598236431 /nfs/dbraw/zinc/23/64/31/598236431.db2.gz IKXSSCRKHYKPHR-MRVPVSSYSA-N -1 1 395.445 1.188 20 0 GDADMM Cc1ccccc1N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000737435852 598261295 /nfs/dbraw/zinc/26/12/95/598261295.db2.gz LDQIQJLHBZNWJL-UHFFFAOYSA-N -1 1 385.453 1.081 20 0 GDADMM Cc1ccccc1N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000737435852 598261297 /nfs/dbraw/zinc/26/12/97/598261297.db2.gz LDQIQJLHBZNWJL-UHFFFAOYSA-N -1 1 385.453 1.081 20 0 GDADMM COc1ccc(OC)c([C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737109864 598261341 /nfs/dbraw/zinc/26/13/41/598261341.db2.gz VHRLEJVFGFUING-SNVBAGLBSA-N -1 1 390.425 1.318 20 0 GDADMM COc1ccc(OC)c([C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737109864 598261342 /nfs/dbraw/zinc/26/13/42/598261342.db2.gz VHRLEJVFGFUING-SNVBAGLBSA-N -1 1 390.425 1.318 20 0 GDADMM O=S(=O)(NCCOc1ccc2ccccc2c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738337592 598262305 /nfs/dbraw/zinc/26/23/05/598262305.db2.gz FVCLGRIURXEAGY-UHFFFAOYSA-N -1 1 396.432 1.772 20 0 GDADMM O=S(=O)(NCCOc1ccc2ccccc2c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738337592 598262308 /nfs/dbraw/zinc/26/23/08/598262308.db2.gz FVCLGRIURXEAGY-UHFFFAOYSA-N -1 1 396.432 1.772 20 0 GDADMM CCN(Cc1c(F)cccc1F)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736556037 598273647 /nfs/dbraw/zinc/27/36/47/598273647.db2.gz TVWBGGRGPKGCFD-UHFFFAOYSA-N -1 1 380.380 1.751 20 0 GDADMM CCN(Cc1c(F)cccc1F)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736556037 598273649 /nfs/dbraw/zinc/27/36/49/598273649.db2.gz TVWBGGRGPKGCFD-UHFFFAOYSA-N -1 1 380.380 1.751 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)O[C@H](C(N)=O)C(C)C)c1-c1nnn[n-]1 ZINC000737188654 598288679 /nfs/dbraw/zinc/28/86/79/598288679.db2.gz DJHRGHGSOSWAIA-LBPRGKRZSA-N -1 1 376.442 1.528 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)O[C@H](C(N)=O)C(C)C)c1-c1nn[n-]n1 ZINC000737188654 598288681 /nfs/dbraw/zinc/28/86/81/598288681.db2.gz DJHRGHGSOSWAIA-LBPRGKRZSA-N -1 1 376.442 1.528 20 0 GDADMM COC(=O)c1coc(CN2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)c1 ZINC000736957401 598354610 /nfs/dbraw/zinc/35/46/10/598354610.db2.gz NZWYFTBMTTVBLL-UHFFFAOYSA-N -1 1 399.411 1.434 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CCC[C@H](c3cc[nH]n3)C2)cc1-c1nn[n-]n1 ZINC000737185699 598358241 /nfs/dbraw/zinc/35/82/41/598358241.db2.gz BKMQNMBRKOCMFX-VIFPVBQESA-N -1 1 386.441 1.432 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N(C)C[C@@H]1CCCO1 ZINC000737488163 598374512 /nfs/dbraw/zinc/37/45/12/598374512.db2.gz PSHNRAXRDQVWAF-ZDUSSCGKSA-N -1 1 384.444 1.096 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N(C)C[C@@H]1CCCO1 ZINC000737488163 598374513 /nfs/dbraw/zinc/37/45/13/598374513.db2.gz PSHNRAXRDQVWAF-ZDUSSCGKSA-N -1 1 384.444 1.096 20 0 GDADMM CCc1nn(CC(=O)Nc2ccc(F)c(F)c2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706863 598378403 /nfs/dbraw/zinc/37/84/03/598378403.db2.gz ZCEZIQCYHLAORX-UHFFFAOYSA-N -1 1 389.366 1.465 20 0 GDADMM O=C(Nc1ccc(Cl)cn1)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC000738162950 598387261 /nfs/dbraw/zinc/38/72/61/598387261.db2.gz JHBKMMPQWDCMIG-UHFFFAOYSA-N -1 1 385.819 1.560 20 0 GDADMM O=C(Nc1ccc(Cl)cn1)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC000738162950 598387262 /nfs/dbraw/zinc/38/72/62/598387262.db2.gz JHBKMMPQWDCMIG-UHFFFAOYSA-N -1 1 385.819 1.560 20 0 GDADMM Cc1oc(NC(=O)COC(=O)Cn2ncc3ccccc32)c(-c2nn[n-]n2)c1C ZINC000737552371 598431503 /nfs/dbraw/zinc/43/15/03/598431503.db2.gz NXSQHYGDUWADAB-UHFFFAOYSA-N -1 1 395.379 1.608 20 0 GDADMM CCn1nc(C)c(CNC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)c1C ZINC000736727747 598447247 /nfs/dbraw/zinc/44/72/47/598447247.db2.gz DUQZJLKQHWGIRS-UHFFFAOYSA-N -1 1 398.471 1.666 20 0 GDADMM COC(=O)c1ccccc1C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000736957438 598475383 /nfs/dbraw/zinc/47/53/83/598475383.db2.gz PRLVBWXVGBZPKZ-UHFFFAOYSA-N -1 1 399.363 1.659 20 0 GDADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CCOCc2ccc(OC)cc2)c1 ZINC000736939452 598492665 /nfs/dbraw/zinc/49/26/65/598492665.db2.gz HKIWSAVUMVHVIC-UHFFFAOYSA-N -1 1 385.380 1.040 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)N2CCS(=O)CC2)c1-c1nn[n-]n1 ZINC000737188734 598496215 /nfs/dbraw/zinc/49/62/15/598496215.db2.gz FJFLYCMRYOKLKB-UHFFFAOYSA-N -1 1 378.483 1.066 20 0 GDADMM COc1ccc(NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)cc1 ZINC000737103967 598503918 /nfs/dbraw/zinc/50/39/18/598503918.db2.gz MZBKRPSYPDSQRX-UHFFFAOYSA-N -1 1 376.376 1.829 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCOc2ccccc2C(C)(C)C)n(C)c1=O ZINC000737594792 598538293 /nfs/dbraw/zinc/53/82/93/598538293.db2.gz ALCXQZAKYVNSMX-UHFFFAOYSA-N -1 1 399.455 1.053 20 0 GDADMM COc1ccc2c(c1)C(=O)N(C)[C@@H](c1cnc3c(-c4nnn[n-]4)cnn3c1)N2 ZINC000737115721 598543853 /nfs/dbraw/zinc/54/38/53/598543853.db2.gz QILZULLSSZVZES-HNNXBMFYSA-N -1 1 377.368 1.114 20 0 GDADMM COc1ccc2c(c1)C(=O)N(C)[C@@H](c1cnc3c(-c4nn[n-]n4)cnn3c1)N2 ZINC000737115721 598543855 /nfs/dbraw/zinc/54/38/55/598543855.db2.gz QILZULLSSZVZES-HNNXBMFYSA-N -1 1 377.368 1.114 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCC2(Sc3ccccc3)CC2)n(C)c1=O ZINC000737597803 598593550 /nfs/dbraw/zinc/59/35/50/598593550.db2.gz UZSDALALSZORPB-UHFFFAOYSA-N -1 1 385.453 1.001 20 0 GDADMM O=C(COC(=O)c1sccc1-c1nn[n-]n1)NCC(=O)c1cccs1 ZINC000737916038 598598546 /nfs/dbraw/zinc/59/85/46/598598546.db2.gz PIRUDJMZBWBMQB-UHFFFAOYSA-N -1 1 377.407 1.146 20 0 GDADMM COC(=O)c1[nH]c(C)cc1NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000736942068 598613910 /nfs/dbraw/zinc/61/39/10/598613910.db2.gz YNJCPBQHCPCYDT-UHFFFAOYSA-N -1 1 399.411 1.579 20 0 GDADMM CCc1nn(CCCn2c3ccccc3[nH]c2=O)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705563 598641940 /nfs/dbraw/zinc/64/19/40/598641940.db2.gz KHAKNNHVJVRGTO-UHFFFAOYSA-N -1 1 394.439 1.694 20 0 GDADMM O=C(c1cscn1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000738293262 598665401 /nfs/dbraw/zinc/66/54/01/598665401.db2.gz VBPQRSNLZLFPBF-UHFFFAOYSA-N -1 1 398.408 1.534 20 0 GDADMM CCOc1ccc(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c(C=O)c1 ZINC000736651122 598687162 /nfs/dbraw/zinc/68/71/62/598687162.db2.gz MBHSDOWAMRKSGC-UHFFFAOYSA-N -1 1 392.368 1.985 20 0 GDADMM COc1ccc(C)cc1CNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737078216 598690296 /nfs/dbraw/zinc/69/02/96/598690296.db2.gz WPLQKWMSVABWLN-UHFFFAOYSA-N -1 1 377.401 1.801 20 0 GDADMM CCc1nnc([C@@H](C)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)o1 ZINC000736707711 598699973 /nfs/dbraw/zinc/69/99/73/598699973.db2.gz RVXZDJGOYLYLBB-SNVBAGLBSA-N -1 1 385.432 1.561 20 0 GDADMM CC(C)c1ccccc1OCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735931652 598710660 /nfs/dbraw/zinc/71/06/60/598710660.db2.gz BAQKXVILAOYEPO-UHFFFAOYSA-N -1 1 388.453 1.742 20 0 GDADMM CC(C)c1ccccc1OCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735931652 598710661 /nfs/dbraw/zinc/71/06/61/598710661.db2.gz BAQKXVILAOYEPO-UHFFFAOYSA-N -1 1 388.453 1.742 20 0 GDADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)NCc1cc(F)cc(F)c1 ZINC000737983750 598720265 /nfs/dbraw/zinc/72/02/65/598720265.db2.gz ZFBAZXFNHCJBMH-UHFFFAOYSA-N -1 1 396.357 1.776 20 0 GDADMM NC(=O)c1ccc(Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)cc1 ZINC000737761290 598721615 /nfs/dbraw/zinc/72/16/15/598721615.db2.gz WPBRBGYJSBKHOK-UHFFFAOYSA-N -1 1 380.795 1.982 20 0 GDADMM O[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)COc1ccc2c(c1)OCO2 ZINC000738386009 598746515 /nfs/dbraw/zinc/74/65/15/598746515.db2.gz KSUPKJJALHPVMS-ZETCQYMHSA-N -1 1 396.816 1.557 20 0 GDADMM O[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)COc1ccc2c(c1)OCO2 ZINC000738386009 598746516 /nfs/dbraw/zinc/74/65/16/598746516.db2.gz KSUPKJJALHPVMS-ZETCQYMHSA-N -1 1 396.816 1.557 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@H](C)C(=O)Nc2ccccc2)cc1-c1nn[n-]n1 ZINC000737187794 598750939 /nfs/dbraw/zinc/75/09/39/598750939.db2.gz VIZKWJKQDNWPQE-SECBINFHSA-N -1 1 399.436 1.446 20 0 GDADMM COC(=O)Cn1cc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)cn1 ZINC000736932111 598788831 /nfs/dbraw/zinc/78/88/31/598788831.db2.gz GHXKVHQCPGAGEJ-UHFFFAOYSA-N -1 1 396.367 1.181 20 0 GDADMM COC(=O)Cn1cc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)cn1 ZINC000736932111 598788832 /nfs/dbraw/zinc/78/88/32/598788832.db2.gz GHXKVHQCPGAGEJ-UHFFFAOYSA-N -1 1 396.367 1.181 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H](c2ccc(F)cc2)C2CCC2)n(C)c1=O ZINC000737598167 598796061 /nfs/dbraw/zinc/79/60/61/598796061.db2.gz ZSCZZLUHRKJUQL-CQSZACIVSA-N -1 1 385.403 1.357 20 0 GDADMM CCCC[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccc(OC)cc1 ZINC000736438986 598816349 /nfs/dbraw/zinc/81/63/49/598816349.db2.gz QIZOWYRKROQAOE-AWEZNQCLSA-N -1 1 399.455 1.616 20 0 GDADMM O=C([O-])Cc1cccc(NS(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)c1 ZINC000823387446 599304861 /nfs/dbraw/zinc/30/48/61/599304861.db2.gz KEXXSUVMPUQFME-UHFFFAOYSA-N -1 1 393.812 1.948 20 0 GDADMM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000737070732 599315452 /nfs/dbraw/zinc/31/54/52/599315452.db2.gz CAWMWCNYMVPMPZ-UHFFFAOYSA-N -1 1 375.366 1.374 20 0 GDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1 ZINC000822904134 599317675 /nfs/dbraw/zinc/31/76/75/599317675.db2.gz SURSKIKDVGIYQY-UHFFFAOYSA-N -1 1 396.289 1.445 20 0 GDADMM Cc1csc([C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C2CC2)n1 ZINC000822409118 599354873 /nfs/dbraw/zinc/35/48/73/599354873.db2.gz MKKYQMDDRAOCME-GFCCVEGCSA-N -1 1 377.455 1.456 20 0 GDADMM Cc1csc([C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C2CC2)n1 ZINC000822409118 599354876 /nfs/dbraw/zinc/35/48/76/599354876.db2.gz MKKYQMDDRAOCME-GFCCVEGCSA-N -1 1 377.455 1.456 20 0 GDADMM Cc1cnc([C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C2CC2)s1 ZINC000822389166 599356206 /nfs/dbraw/zinc/35/62/06/599356206.db2.gz NRUUNLKVFGDCDI-GFCCVEGCSA-N -1 1 377.455 1.456 20 0 GDADMM Cc1cnc([C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C2CC2)s1 ZINC000822389166 599356209 /nfs/dbraw/zinc/35/62/09/599356209.db2.gz NRUUNLKVFGDCDI-GFCCVEGCSA-N -1 1 377.455 1.456 20 0 GDADMM O=S(=O)([N-]CCOc1ccc(-c2nn[nH]n2)cc1)c1cc(F)c(F)cc1F ZINC000823577960 599357296 /nfs/dbraw/zinc/35/72/96/599357296.db2.gz DYESYPJEZZMEON-UHFFFAOYSA-N -1 1 399.354 1.641 20 0 GDADMM CCn1cc(-c2nn[n-]n2)c(=O)n(CCCc2cccc3ccccc32)c1=O ZINC000736712777 599368437 /nfs/dbraw/zinc/36/84/37/599368437.db2.gz BQSJVDKIUCQXLL-UHFFFAOYSA-N -1 1 376.420 1.996 20 0 GDADMM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c2ccccc2NC1=O ZINC000820769512 599371684 /nfs/dbraw/zinc/37/16/84/599371684.db2.gz UZMBILUYLARWCQ-JTQLQIEISA-N -1 1 385.409 1.045 20 0 GDADMM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c2ccccc2NC1=O ZINC000820769512 599371689 /nfs/dbraw/zinc/37/16/89/599371689.db2.gz UZMBILUYLARWCQ-JTQLQIEISA-N -1 1 385.409 1.045 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC(C(F)(F)F)CC1 ZINC000823607395 599373122 /nfs/dbraw/zinc/37/31/22/599373122.db2.gz TYOMDXMCICPZAS-UHFFFAOYSA-N -1 1 379.339 1.969 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC(C(F)(F)F)CC1 ZINC000823607395 599373124 /nfs/dbraw/zinc/37/31/24/599373124.db2.gz TYOMDXMCICPZAS-UHFFFAOYSA-N -1 1 379.339 1.969 20 0 GDADMM C[C@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)cc1F ZINC000820274094 599374412 /nfs/dbraw/zinc/37/44/12/599374412.db2.gz DKAQFVSTRXDHAL-SECBINFHSA-N -1 1 380.380 1.622 20 0 GDADMM C[C@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)cc1F ZINC000820274094 599374415 /nfs/dbraw/zinc/37/44/15/599374415.db2.gz DKAQFVSTRXDHAL-SECBINFHSA-N -1 1 380.380 1.622 20 0 GDADMM Cc1ccc(C)c(S(=O)(=O)N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)c1 ZINC000737325216 599395857 /nfs/dbraw/zinc/39/58/57/599395857.db2.gz BHBADYUIXWZOHY-UHFFFAOYSA-N -1 1 399.480 1.389 20 0 GDADMM Cc1ccc(C)c(S(=O)(=O)N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)c1 ZINC000737325216 599395863 /nfs/dbraw/zinc/39/58/63/599395863.db2.gz BHBADYUIXWZOHY-UHFFFAOYSA-N -1 1 399.480 1.389 20 0 GDADMM CCN(CC)S(=O)(=O)c1ccc(CNc2cccc(-c3nnn[n-]3)n2)s1 ZINC000736533321 599401974 /nfs/dbraw/zinc/40/19/74/599401974.db2.gz YXUAQNXNSOTLPH-UHFFFAOYSA-N -1 1 393.498 1.966 20 0 GDADMM CCN(CC)S(=O)(=O)c1ccc(CNc2cccc(-c3nn[n-]n3)n2)s1 ZINC000736533321 599401978 /nfs/dbraw/zinc/40/19/78/599401978.db2.gz YXUAQNXNSOTLPH-UHFFFAOYSA-N -1 1 393.498 1.966 20 0 GDADMM CN(CCCOc1ccc(S(C)(=O)=O)cc1)c1cccc(-c2nnn[n-]2)n1 ZINC000736797873 599418319 /nfs/dbraw/zinc/41/83/19/599418319.db2.gz NSGITBOBIRPOMN-UHFFFAOYSA-N -1 1 388.453 1.571 20 0 GDADMM CN(CCCOc1ccc(S(C)(=O)=O)cc1)c1cccc(-c2nn[n-]n2)n1 ZINC000736797873 599418322 /nfs/dbraw/zinc/41/83/22/599418322.db2.gz NSGITBOBIRPOMN-UHFFFAOYSA-N -1 1 388.453 1.571 20 0 GDADMM C[C@H]1CCC[C@H](NC(=O)CN2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)C1 ZINC000736260111 599434144 /nfs/dbraw/zinc/43/41/44/599434144.db2.gz LAOGAUHXTSBPIP-GJZGRUSLSA-N -1 1 384.488 1.079 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC[C@@](C)(O)CCC(C)C)cc1-c1nn[n-]n1 ZINC000821976776 599489419 /nfs/dbraw/zinc/48/94/19/599489419.db2.gz DCZQUSQRRKYWEK-INIZCTEOSA-N -1 1 380.474 1.606 20 0 GDADMM Cc1cccc(COC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)n1 ZINC000737393832 599496890 /nfs/dbraw/zinc/49/68/90/599496890.db2.gz MNUIVUXYGJUYIO-UHFFFAOYSA-N -1 1 392.423 1.906 20 0 GDADMM Cc1cccc(COC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)n1 ZINC000737393832 599496892 /nfs/dbraw/zinc/49/68/92/599496892.db2.gz MNUIVUXYGJUYIO-UHFFFAOYSA-N -1 1 392.423 1.906 20 0 GDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000822459097 599520149 /nfs/dbraw/zinc/52/01/49/599520149.db2.gz MFEHXEOSLBMENI-SNVBAGLBSA-N -1 1 392.423 1.652 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000737548927 599575935 /nfs/dbraw/zinc/57/59/35/599575935.db2.gz QRKCHNSUSSDERX-VXGBXAGGSA-N -1 1 383.412 1.333 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000737548927 599575936 /nfs/dbraw/zinc/57/59/36/599575936.db2.gz QRKCHNSUSSDERX-VXGBXAGGSA-N -1 1 383.412 1.333 20 0 GDADMM CCC[C@H](CCc1ccccc1)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000821020869 599581708 /nfs/dbraw/zinc/58/17/08/599581708.db2.gz IVKVGYTXTLDLPY-CQSZACIVSA-N -1 1 383.456 1.478 20 0 GDADMM C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CCO1 ZINC000736291742 599593068 /nfs/dbraw/zinc/59/30/68/599593068.db2.gz YZVFPOJVDDDCNU-MRVPVSSYSA-N -1 1 377.348 1.295 20 0 GDADMM C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C[C@H](C)O1 ZINC000736286333 599593431 /nfs/dbraw/zinc/59/34/31/599593431.db2.gz BQVRFCVWAQFKBN-IUCAKERBSA-N -1 1 391.375 1.683 20 0 GDADMM COCCCN(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000736980355 599593948 /nfs/dbraw/zinc/59/39/48/599593948.db2.gz DTFQJAXTFKLQHJ-UHFFFAOYSA-N -1 1 379.364 1.543 20 0 GDADMM Cc1oc(NC(=O)COC(=O)c2nc(C)ncc2Cl)c(-c2nn[n-]n2)c1C ZINC000822471472 599667545 /nfs/dbraw/zinc/66/75/45/599667545.db2.gz DDNIEPBOBGVQSH-UHFFFAOYSA-N -1 1 391.775 1.624 20 0 GDADMM Cc1oc(NC(=O)COC(=O)CCC2CCOCC2)c(-c2nn[n-]n2)c1C ZINC000822548427 599671479 /nfs/dbraw/zinc/67/14/79/599671479.db2.gz KRRKTMABZBANIZ-UHFFFAOYSA-N -1 1 377.401 1.765 20 0 GDADMM CCCC[C@H](C(=O)[O-])N1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000569493287 599704935 /nfs/dbraw/zinc/70/49/35/599704935.db2.gz XDAQUEKYJCQKCH-CYBMUJFWSA-N -1 1 398.510 1.641 20 0 GDADMM Cc1ccc(NC(=O)NC[C@@H]2CCCN(CC(=O)NCCC(=O)[O-])C2)cc1 ZINC000738624475 599772388 /nfs/dbraw/zinc/77/23/88/599772388.db2.gz KXSRPCKANDDRNA-HNNXBMFYSA-N -1 1 376.457 1.419 20 0 GDADMM COC1CCN(C(C)(C)CNS(=O)(=O)c2ccc(C(=O)[O-])cc2C)CC1 ZINC000737736292 599780681 /nfs/dbraw/zinc/78/06/81/599780681.db2.gz SQKZHDKIRBYXRS-UHFFFAOYSA-N -1 1 384.498 1.861 20 0 GDADMM C[C@H](NC(=O)N1CC[C@@H](C(=O)[O-])C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000736643089 599795017 /nfs/dbraw/zinc/79/50/17/599795017.db2.gz PWXZJTDKTQDWBO-UONOGXRCSA-N -1 1 378.448 1.755 20 0 GDADMM CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000486207458 599825743 /nfs/dbraw/zinc/82/57/43/599825743.db2.gz ZDNXCFXWODXIBL-UHFFFAOYSA-N -1 1 391.405 1.967 20 0 GDADMM O=C([O-])c1n[nH]c2ccc(NC(=O)CCNC(=O)c3n[nH]c4ccccc43)cc21 ZINC000739249457 599827090 /nfs/dbraw/zinc/82/70/90/599827090.db2.gz WUCJINPAFLOSOV-UHFFFAOYSA-N -1 1 392.375 1.896 20 0 GDADMM C[C@@H](C(=O)NCC(=O)[O-])N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000736207962 599851666 /nfs/dbraw/zinc/85/16/66/599851666.db2.gz LICOODKXZHYEQB-WCQYABFASA-N -1 1 376.388 1.644 20 0 GDADMM COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)N2CC[C@H](N(C)C)C2)c1OC ZINC000737874516 599877925 /nfs/dbraw/zinc/87/79/25/599877925.db2.gz VPODWFYTAYGTAQ-GFUIURDCSA-N -1 1 384.454 1.126 20 0 GDADMM Cc1ccc(N(C)C2CCN([C@@H](C)C(=O)N3CCC(C(=O)[O-])CC3)CC2)nn1 ZINC000738279784 599957291 /nfs/dbraw/zinc/95/72/91/599957291.db2.gz KQFUXOQOMDZXNW-HNNXBMFYSA-N -1 1 389.500 1.397 20 0 GDADMM CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1CN1CCC[C@@H]1Cn1cncn1 ZINC000737506632 599968678 /nfs/dbraw/zinc/96/86/78/599968678.db2.gz ZXXFOWJCNGLLPW-CRAIPNDOSA-N -1 1 396.451 1.478 20 0 GDADMM COc1ccc([C@H](CNC(=O)N2CCO[C@H](C(=O)[O-])C2)N2CCCCC2)cc1 ZINC000737958366 600032830 /nfs/dbraw/zinc/03/28/30/600032830.db2.gz YOLYSHYCEGGUFP-ROUUACIJSA-N -1 1 391.468 1.717 20 0 GDADMM O=C([O-])[C@@H]1CN(C(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)CCO1 ZINC000738546760 600035431 /nfs/dbraw/zinc/03/54/31/600035431.db2.gz OAUGTCWIRLTWLF-CVEARBPZSA-N -1 1 381.860 1.972 20 0 GDADMM COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N2CC[C@@H](N3CCCC3)C2)c1 ZINC000737654669 600035890 /nfs/dbraw/zinc/03/58/90/600035890.db2.gz RGCLHHPXOQJMFA-CQSZACIVSA-N -1 1 382.438 1.030 20 0 GDADMM O=C([O-])[C@@H]1CCCN(CC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)C1 ZINC000262636864 600129275 /nfs/dbraw/zinc/12/92/75/600129275.db2.gz GMRZDUORSPCSCR-OAHLLOKOSA-N -1 1 391.493 1.611 20 0 GDADMM CCC[C@](C)(NCC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)C(=O)[O-] ZINC000736962961 600156107 /nfs/dbraw/zinc/15/61/07/600156107.db2.gz HTIURAIPWCOLFZ-FQEVSTJZSA-N -1 1 375.469 1.772 20 0 GDADMM O=C([O-])CSCCC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000739848617 600189404 /nfs/dbraw/zinc/18/94/04/600189404.db2.gz CTRNBOUETMXCTQ-UHFFFAOYSA-N -1 1 396.450 1.424 20 0 GDADMM O=C([O-])CNC(=O)COC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000739809149 600195218 /nfs/dbraw/zinc/19/52/18/600195218.db2.gz NQXDNDSFQQCEKZ-MRXNPFEDSA-N -1 1 388.342 1.185 20 0 GDADMM CNS(=O)(=O)CCCN1CCc2cc(OC)c(OC)cc2[C@H]1CC(=O)[O-] ZINC000737552304 600285459 /nfs/dbraw/zinc/28/54/59/600285459.db2.gz KIMXZEPMGSXSMH-CQSZACIVSA-N -1 1 386.470 1.017 20 0 GDADMM COC(=O)[C@H]1CC12CCN(CC(=O)NCc1ccc(NC(=O)[O-])cc1)CC2 ZINC000737577693 600306444 /nfs/dbraw/zinc/30/64/44/600306444.db2.gz AWCHASGZCXEBKQ-OAHLLOKOSA-N -1 1 375.425 1.668 20 0 GDADMM CN1CCN(c2ncccc2CNC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)CC1 ZINC000737529431 600349457 /nfs/dbraw/zinc/34/94/57/600349457.db2.gz JGIXQRHARFOJRT-INIZCTEOSA-N -1 1 387.484 1.230 20 0 GDADMM COCCNS(=O)(=O)c1cccc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000737812690 600440235 /nfs/dbraw/zinc/44/02/35/600440235.db2.gz NLBIRTZXUZTVDM-QGZVFWFLSA-N -1 1 396.440 1.666 20 0 GDADMM COCCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000737811481 600470930 /nfs/dbraw/zinc/47/09/30/600470930.db2.gz MPKHWJXFVJUSMP-LBPRGKRZSA-N -1 1 383.832 1.204 20 0 GDADMM CCN(CC(=O)Nc1sc(C(=O)[O-])c(C)c1C(=O)OC)C[C@H]1CCOC1 ZINC000737069761 600508409 /nfs/dbraw/zinc/50/84/09/600508409.db2.gz RMOYRZOBRKJKEN-LLVKDONJSA-N -1 1 384.454 1.838 20 0 GDADMM Cc1nc(CN2CCN(CC(=O)Nc3sc(C)c(C)c3C(=O)[O-])CC2)n[nH]1 ZINC000738857599 600558646 /nfs/dbraw/zinc/55/86/46/600558646.db2.gz NVTVXDGRMSNYRU-UHFFFAOYSA-N -1 1 392.485 1.246 20 0 GDADMM COC[C@H]1CCCN([C@@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C(=O)[O-])C1 ZINC000737751605 600614580 /nfs/dbraw/zinc/61/45/80/600614580.db2.gz HGDYCVJLYXXPFQ-STQMWFEESA-N -1 1 378.425 1.857 20 0 GDADMM C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1 ZINC000736823787 600635754 /nfs/dbraw/zinc/63/57/54/600635754.db2.gz HXFVXCNBHFRTCZ-SUMWQHHRSA-N -1 1 384.436 1.101 20 0 GDADMM C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1 ZINC000736823787 600635756 /nfs/dbraw/zinc/63/57/56/600635756.db2.gz HXFVXCNBHFRTCZ-SUMWQHHRSA-N -1 1 384.436 1.101 20 0 GDADMM CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000578240980 600649895 /nfs/dbraw/zinc/64/98/95/600649895.db2.gz OHBXAJORRPKZHR-KRWDZBQOSA-N -1 1 397.541 1.350 20 0 GDADMM COC(=O)c1ccc(NC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)cc1C(=O)[O-] ZINC000831410193 600656462 /nfs/dbraw/zinc/65/64/62/600656462.db2.gz GXHZJFHMMPJREF-HOTGVXAUSA-N -1 1 391.424 1.234 20 0 GDADMM COC(=O)CNC(=O)c1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000520480558 600672172 /nfs/dbraw/zinc/67/21/72/600672172.db2.gz IHKBYIMILWPIQZ-UHFFFAOYSA-N -1 1 398.418 1.150 20 0 GDADMM COc1cccc([C@H](CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)N2CCCC2)c1 ZINC000832534439 600693251 /nfs/dbraw/zinc/69/32/51/600693251.db2.gz YAOUNABCNZTHII-KRWDZBQOSA-N -1 1 393.465 1.837 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CCC[C@@H]([C@H]3CCOC3)C2)cc1-c1nn[n-]n1 ZINC000826229976 607464673 /nfs/dbraw/zinc/46/46/73/607464673.db2.gz YYFTVJXQZSMYPX-MNOVXSKESA-N -1 1 390.469 1.578 20 0 GDADMM 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600817926 /nfs/dbraw/zinc/81/79/26/600817926.db2.gz ZZSFKUGTLHFFJC-UHFFFAOYSA-N -1 1 396.871 1.988 20 0 GDADMM CC[C@H](c1ccc(F)cc1F)N1CCN(CCC(=O)N(C)CC(=O)[O-])CC1 ZINC000829021526 600834197 /nfs/dbraw/zinc/83/41/97/600834197.db2.gz UOSHZFOBERILNI-QGZVFWFLSA-N -1 1 383.439 1.967 20 0 GDADMM CCCc1nc([C@H]2CN(CC(=O)N(C)c3ccccc3C(=O)[O-])CCO2)n[nH]1 ZINC000829570515 600841952 /nfs/dbraw/zinc/84/19/52/600841952.db2.gz FOBPXXXBEBWJNN-OAHLLOKOSA-N -1 1 387.440 1.492 20 0 GDADMM CCCc1n[nH]c([C@H]2CN(CC(=O)N(C)c3ccccc3C(=O)[O-])CCO2)n1 ZINC000829570515 600841953 /nfs/dbraw/zinc/84/19/53/600841953.db2.gz FOBPXXXBEBWJNN-OAHLLOKOSA-N -1 1 387.440 1.492 20 0 GDADMM Cc1sc(NC(=O)CN2CC[C@H](CN3CCOCC3)C2)c(C(=O)[O-])c1C ZINC000738399453 600976200 /nfs/dbraw/zinc/97/62/00/600976200.db2.gz REFPGTKXHKYQJC-CQSZACIVSA-N -1 1 381.498 1.656 20 0 GDADMM C[NH+](C)CCC(=O)Nc1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC000830601305 600978993 /nfs/dbraw/zinc/97/89/93/600978993.db2.gz VSNHCURZGMMEEN-UHFFFAOYSA-N 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601966358 /nfs/dbraw/zinc/96/63/58/601966358.db2.gz XAZICKVJHKVQFJ-JTQLQIEISA-N -1 1 382.218 1.897 20 0 GDADMM CC[C@H](NC(=O)[O-])C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000739533262 601966361 /nfs/dbraw/zinc/96/63/61/601966361.db2.gz XAZICKVJHKVQFJ-JTQLQIEISA-N -1 1 382.218 1.897 20 0 GDADMM COCCn1c(SCc2ccnc(-c3nnn[n-]3)c2)nnc1-c1ccncc1 ZINC000826164080 607537373 /nfs/dbraw/zinc/53/73/73/607537373.db2.gz YLPXUVUFIYHIST-UHFFFAOYSA-N -1 1 395.452 1.854 20 0 GDADMM COCCn1c(SCc2ccnc(-c3nn[n-]n3)c2)nnc1-c1ccncc1 ZINC000826164080 607537375 /nfs/dbraw/zinc/53/73/75/607537375.db2.gz YLPXUVUFIYHIST-UHFFFAOYSA-N -1 1 395.452 1.854 20 0 GDADMM c1cc(CSc2nnc(NC[C@H]3CCCO3)s2)cc(-c2nnn[n-]2)n1 ZINC000826516340 607538044 /nfs/dbraw/zinc/53/80/44/607538044.db2.gz HOLVRWOQGYJCHT-SNVBAGLBSA-N -1 1 376.471 1.996 20 0 GDADMM c1cc(CSc2nnc(NC[C@H]3CCCO3)s2)cc(-c2nn[n-]n2)n1 ZINC000826516340 607538046 /nfs/dbraw/zinc/53/80/46/607538046.db2.gz HOLVRWOQGYJCHT-SNVBAGLBSA-N -1 1 376.471 1.996 20 0 GDADMM CCC(CC)[C@@H](CNC(=O)NC[C@H]1CCCN(C(=O)[O-])C1)N1CCOCC1 ZINC000739254394 602010518 /nfs/dbraw/zinc/01/05/18/602010518.db2.gz XXCIGVPIKISEMG-NVXWUHKLSA-N -1 1 384.521 1.813 20 0 GDADMM COc1ccc(-c2nnc(SCc3ccnc(-c4nnn[n-]4)c3)n2N)cc1 ZINC000826181505 607540393 /nfs/dbraw/zinc/54/03/93/607540393.db2.gz BEGYMFJFWIRRDG-UHFFFAOYSA-N -1 1 381.425 1.535 20 0 GDADMM COc1ccc(-c2nnc(SCc3ccnc(-c4nn[n-]n4)c3)n2N)cc1 ZINC000826181505 607540394 /nfs/dbraw/zinc/54/03/94/607540394.db2.gz BEGYMFJFWIRRDG-UHFFFAOYSA-N -1 1 381.425 1.535 20 0 GDADMM COc1ccc([C@H](CNC(=O)N2CC[C@@H](CNC(=O)[O-])C2)N(C)C)cc1OC ZINC000739893560 602057827 /nfs/dbraw/zinc/05/78/27/602057827.db2.gz BCYMJFBFGHZEMX-ZFWWWQNUSA-N -1 1 394.472 1.606 20 0 GDADMM COc1cccc([C@H](CNC(=O)N2CCC[C@H](CNC(=O)[O-])C2)N(C)C)c1 ZINC000739943635 602061702 /nfs/dbraw/zinc/06/17/02/602061702.db2.gz AKUUUEYDZGCIHS-PBHICJAKSA-N -1 1 378.473 1.987 20 0 GDADMM CN1CCN(C(C)(C)CNC(=O)N2CCC[C@@H]([C@@H]3CCCN3C(=O)[O-])C2)CC1 ZINC000739734740 602077842 /nfs/dbraw/zinc/07/78/42/602077842.db2.gz MDPBBPGSTKCQLQ-SJORKVTESA-N -1 1 395.548 1.576 20 0 GDADMM C[C@H]1CCc2c(sc(NC(=O)COC(=O)CCc3nc[nH]n3)c2C(=O)[O-])C1 ZINC000828309476 602088836 /nfs/dbraw/zinc/08/88/36/602088836.db2.gz DCLZYQZTELNKRF-VIFPVBQESA-N -1 1 392.437 1.804 20 0 GDADMM CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1COC(=O)CCc1nc[nH]n1 ZINC000830907623 602088999 /nfs/dbraw/zinc/08/89/99/602088999.db2.gz ODWFQKNOUUEYGC-MRXNPFEDSA-N -1 1 385.380 1.016 20 0 GDADMM Cc1c(C(=O)Nc2nc(-c3ccco3)n[nH]2)nnn1C1CCN(C(=O)[O-])CC1 ZINC000740041589 602126455 /nfs/dbraw/zinc/12/64/55/602126455.db2.gz JNFZVSNLOQZOJH-UHFFFAOYSA-N -1 1 386.372 1.532 20 0 GDADMM CN(C)Cc1cc(CNC(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)ccc1F ZINC000737953465 602128343 /nfs/dbraw/zinc/12/83/43/602128343.db2.gz HYLBQKBTTUWRAM-UHFFFAOYSA-N -1 1 387.411 1.769 20 0 GDADMM CNS(=O)(=O)c1cccc(CN[C@@H](C(=O)[O-])c2cc(OC)cc(OC)c2)c1 ZINC000831038198 602166367 /nfs/dbraw/zinc/16/63/67/602166367.db2.gz HXOSANNUJVHFFZ-QGZVFWFLSA-N -1 1 394.449 1.527 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC[C@H]([C@H]2CCOC2)C1 ZINC000826233179 607551682 /nfs/dbraw/zinc/55/16/82/607551682.db2.gz WVSZMMQEUXEJQP-KBPBESRZSA-N -1 1 386.456 1.402 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000826233182 607551730 /nfs/dbraw/zinc/55/17/30/607551730.db2.gz WVSZMMQEUXEJQP-ZIAGYGMSSA-N -1 1 386.456 1.402 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000826494842 607552570 /nfs/dbraw/zinc/55/25/70/607552570.db2.gz RJOYNHKRMRTMRJ-GHMZBOCLSA-N -1 1 383.861 1.567 20 0 GDADMM CS(=O)(=O)c1cc(NC(=O)N2CC[C@H](N3CCCC3)C2)cc(C(=O)[O-])c1 ZINC000832709441 602212380 /nfs/dbraw/zinc/21/23/80/602212380.db2.gz NDDMCNKPYMPKPQ-AWEZNQCLSA-N -1 1 381.454 1.490 20 0 GDADMM CN1CCN(C[C@H](NC(=O)N2CCCN(C(=O)[O-])CC2)c2ccccc2)CC1 ZINC000738012460 602225675 /nfs/dbraw/zinc/22/56/75/602225675.db2.gz AEQMXHVYEXRGMD-SFHVURJKSA-N -1 1 389.500 1.370 20 0 GDADMM COc1ccc(CNC(=O)c2nc3ccccc3c(=O)[n-]2)cc1-c1nn[nH]n1 ZINC000826201988 607553765 /nfs/dbraw/zinc/55/37/65/607553765.db2.gz KQISEPDQYLVXQU-UHFFFAOYSA-N -1 1 377.364 1.042 20 0 GDADMM CN(Cc1cn(C)nc1C(F)(F)F)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000825992431 607559734 /nfs/dbraw/zinc/55/97/34/607559734.db2.gz WSXWXGOIYPTKMJ-UHFFFAOYSA-N -1 1 384.326 1.016 20 0 GDADMM CN(Cc1cn(C)nc1C(F)(F)F)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000825992431 607559735 /nfs/dbraw/zinc/55/97/35/607559735.db2.gz WSXWXGOIYPTKMJ-UHFFFAOYSA-N -1 1 384.326 1.016 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCC[C@H]1COC(C)(C)O1 ZINC000826233059 607563268 /nfs/dbraw/zinc/56/32/68/607563268.db2.gz SEIAJAZNRHVDDF-LBPRGKRZSA-N -1 1 391.428 1.602 20 0 GDADMM C[C@@H]1CN(Cc2ccc(CNC(=O)[C@H]3CSCN3C(=O)[O-])cc2)C[C@@H](C)O1 ZINC000739187781 602389801 /nfs/dbraw/zinc/38/98/01/602389801.db2.gz ILRKTWUQVGADKF-CKEIUWERSA-N -1 1 393.509 1.965 20 0 GDADMM Cc1cccc(N2CCN(CCCNC(=O)NCCN(C)C(=O)[O-])CC2)c1 ZINC000740169509 602440059 /nfs/dbraw/zinc/44/00/59/602440059.db2.gz JUUBURUNTXTCBT-UHFFFAOYSA-N -1 1 377.489 1.416 20 0 GDADMM O=C([O-])NCC1CCN(C(=O)[C@H](c2ccccc2)N2CCC(O)CC2)CC1 ZINC000740628753 602453197 /nfs/dbraw/zinc/45/31/97/602453197.db2.gz FNSMCXBTEHPVDQ-SFHVURJKSA-N -1 1 375.469 1.691 20 0 GDADMM CN(CC(=O)N[C@@H](CNC(=O)[O-])C1CCCCC1)c1ncnc2[nH]cnc21 ZINC000739622178 602483114 /nfs/dbraw/zinc/48/31/14/602483114.db2.gz WCEBLOHRKLMNNE-LBPRGKRZSA-N -1 1 375.433 1.122 20 0 GDADMM CN(C[C@H]1CCN(CC(=O)N2CCN(Cc3cccs3)CC2)C1)C(=O)[O-] ZINC000739660687 602528804 /nfs/dbraw/zinc/52/88/04/602528804.db2.gz OZBRGHGVZSJNAS-OAHLLOKOSA-N -1 1 380.514 1.324 20 0 GDADMM COc1ccc(C=O)cc1OS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826190596 607573664 /nfs/dbraw/zinc/57/36/64/607573664.db2.gz GTTIQPWDTDJLLU-UHFFFAOYSA-N -1 1 378.341 1.595 20 0 GDADMM COc1ccc(C=O)cc1OS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826190596 607573666 /nfs/dbraw/zinc/57/36/66/607573666.db2.gz GTTIQPWDTDJLLU-UHFFFAOYSA-N -1 1 378.341 1.595 20 0 GDADMM CN(C)[C@@H](CNC(=O)N(C)CCN1CCN(C(=O)[O-])CC1)c1ccc(F)cc1 ZINC000739684426 602620784 /nfs/dbraw/zinc/62/07/84/602620784.db2.gz QWIYVEGILZJXCN-KRWDZBQOSA-N -1 1 395.479 1.365 20 0 GDADMM COc1ccc(-c2n[nH]c(CNC(=O)NCC[C@@H]3CCN(C(=O)[O-])C3)n2)cc1 ZINC000739880138 602630061 /nfs/dbraw/zinc/63/00/61/602630061.db2.gz UBCYDJNLJVVZFU-GFCCVEGCSA-N -1 1 388.428 1.670 20 0 GDADMM COc1ccc(-c2nc(CNC(=O)NCC[C@@H]3CCN(C(=O)[O-])C3)n[nH]2)cc1 ZINC000739880138 602630066 /nfs/dbraw/zinc/63/00/66/602630066.db2.gz UBCYDJNLJVVZFU-GFCCVEGCSA-N -1 1 388.428 1.670 20 0 GDADMM O=C([O-])NC[C@H](NC(=O)N1CCN([C@H]2CCC[C@H]2O)CC1)C1CCCCC1 ZINC000740614932 602639923 /nfs/dbraw/zinc/63/99/23/602639923.db2.gz VHBNFSAYZWUQQJ-YESZJQIVSA-N -1 1 382.505 1.444 20 0 GDADMM CS(=O)(=O)c1ccc(OS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826223870 607578576 /nfs/dbraw/zinc/57/85/76/607578576.db2.gz DDIKUAAYSXAVDD-UHFFFAOYSA-N -1 1 398.397 1.177 20 0 GDADMM CS(=O)(=O)c1ccc(OS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826223870 607578578 /nfs/dbraw/zinc/57/85/78/607578578.db2.gz DDIKUAAYSXAVDD-UHFFFAOYSA-N -1 1 398.397 1.177 20 0 GDADMM C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccc2c(c1)OCO2 ZINC000824640236 607581685 /nfs/dbraw/zinc/58/16/85/607581685.db2.gz DUNCHBLVBDRPEW-SECBINFHSA-N -1 1 391.384 1.774 20 0 GDADMM C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccc2c(c1)OCO2 ZINC000824640236 607581687 /nfs/dbraw/zinc/58/16/87/607581687.db2.gz DUNCHBLVBDRPEW-SECBINFHSA-N -1 1 391.384 1.774 20 0 GDADMM O=S(=O)(N[C@@H]1CCOc2ccccc21)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826489140 607578833 /nfs/dbraw/zinc/57/88/33/607578833.db2.gz IRGWRMHVPUNKBF-CYBMUJFWSA-N -1 1 375.385 1.808 20 0 GDADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)NCC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739025964 602653672 /nfs/dbraw/zinc/65/36/72/602653672.db2.gz MPSHIOLJWUPDAH-STQMWFEESA-N -1 1 387.440 1.578 20 0 GDADMM C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1nnc2ccccn21 ZINC000824640213 607579593 /nfs/dbraw/zinc/57/95/93/607579593.db2.gz CYYKFPZAHMHRRY-VIFPVBQESA-N -1 1 388.388 1.088 20 0 GDADMM C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1nnc2ccccn21 ZINC000824640213 607579596 /nfs/dbraw/zinc/57/95/96/607579596.db2.gz CYYKFPZAHMHRRY-VIFPVBQESA-N -1 1 388.388 1.088 20 0 GDADMM C[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccc2c(c1)OCO2 ZINC000824640929 607581429 /nfs/dbraw/zinc/58/14/29/607581429.db2.gz QBLMPRYDZQITDG-SECBINFHSA-N -1 1 391.384 1.774 20 0 GDADMM COc1cccc([C@H](CNC(=O)c2csc(CNC(=O)[O-])n2)N(C)C)c1 ZINC000739948408 602706751 /nfs/dbraw/zinc/70/67/51/602706751.db2.gz HMOHCKIGJWZYAN-AWEZNQCLSA-N -1 1 378.454 1.952 20 0 GDADMM O=C([O-])NCc1nc(C(=O)N2CCC(CCN3CCOCC3)CC2)cs1 ZINC000740681481 602710228 /nfs/dbraw/zinc/71/02/28/602710228.db2.gz CAPXRNJOAQCRKX-UHFFFAOYSA-N -1 1 382.486 1.485 20 0 GDADMM O=C([O-])N1CC[C@H](CCNC(=O)N2CCC(CCN3CCOCC3)CC2)C1 ZINC000740495940 602722476 /nfs/dbraw/zinc/72/24/76/602722476.db2.gz GVVSKZPVHFCEIS-KRWDZBQOSA-N -1 1 382.505 1.520 20 0 GDADMM O=C([O-])N1CC[C@@H](CCNC(=O)NC[C@H](O)CN2CCc3ccccc3C2)C1 ZINC000740428342 602723978 /nfs/dbraw/zinc/72/39/78/602723978.db2.gz QLMJBLBIMGEFNI-QAPCUYQASA-N -1 1 390.484 1.095 20 0 GDADMM Cc1ccc(C(N)=O)c(OS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000826284282 607582272 /nfs/dbraw/zinc/58/22/72/607582272.db2.gz OUAVMFDUIFXGJS-UHFFFAOYSA-N -1 1 393.812 1.695 20 0 GDADMM Cc1ccc(C(N)=O)c(OS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000826284282 607582274 /nfs/dbraw/zinc/58/22/74/607582274.db2.gz OUAVMFDUIFXGJS-UHFFFAOYSA-N -1 1 393.812 1.695 20 0 GDADMM O=C([O-])N1CCC(CN2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)CC1 ZINC000740502823 602737732 /nfs/dbraw/zinc/73/77/32/602737732.db2.gz ICYQFFMMDYZCEE-IBGZPJMESA-N -1 1 386.496 1.800 20 0 GDADMM O=S(=O)(NCc1ccc(-n2cccn2)cc1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826491894 607588279 /nfs/dbraw/zinc/58/82/79/607588279.db2.gz IYMVDQSVEKCJKX-UHFFFAOYSA-N -1 1 399.411 1.670 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000826495117 607589304 /nfs/dbraw/zinc/58/93/04/607589304.db2.gz CYHFALIQSCQPCR-JTQLQIEISA-N -1 1 377.405 1.297 20 0 GDADMM CN1CCN(c2cc(CNC(=O)c3ccc(NC(=O)[O-])cc3O)ccn2)CC1 ZINC000739737026 602850923 /nfs/dbraw/zinc/85/09/23/602850923.db2.gz UPIRGWCSOXIZFP-UHFFFAOYSA-N -1 1 385.424 1.559 20 0 GDADMM C[C@@H]1CN(C(=O)NCc2ccc(N3CCN(C)CC3)nc2)C[C@H](C)N1C(=O)[O-] ZINC000739138376 602886383 /nfs/dbraw/zinc/88/63/83/602886383.db2.gz JDZHCNHRQVHFQP-GASCZTMLSA-N -1 1 390.488 1.116 20 0 GDADMM COc1ccccc1[C@H](NC(=O)[O-])C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000739962070 602892137 /nfs/dbraw/zinc/89/21/37/602892137.db2.gz FFAQWXPPDUQWNM-SFHVURJKSA-N -1 1 391.468 1.575 20 0 GDADMM COc1ccccc1[C@H](CNC(=O)N1CCN(C)C[C@@H]1C(C)C)NC(=O)[O-] ZINC000739960046 602907268 /nfs/dbraw/zinc/90/72/68/602907268.db2.gz DFQRXVOBISLLLE-JKSUJKDBSA-N -1 1 378.473 1.986 20 0 GDADMM COc1ccc(CCC(=O)N2CCN(C[C@@H]3CCN(C(=O)[O-])C3)CC2)cc1 ZINC000739894820 602979043 /nfs/dbraw/zinc/97/90/43/602979043.db2.gz POWXCVXHUXLMBB-KRWDZBQOSA-N -1 1 375.469 1.772 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CN2CCOCC2)C1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823662722 602998568 /nfs/dbraw/zinc/99/85/68/602998568.db2.gz PJTRTHXXPWIVAJ-BQFCYCMXSA-N -1 1 375.469 1.812 20 0 GDADMM CCc1c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cnn1-c1ccccn1 ZINC000825687295 607600216 /nfs/dbraw/zinc/60/02/16/607600216.db2.gz FLZYJUKWPGDKMQ-UHFFFAOYSA-N -1 1 376.380 1.762 20 0 GDADMM CCc1c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cnn1-c1ccccn1 ZINC000825687295 607600217 /nfs/dbraw/zinc/60/02/17/607600217.db2.gz FLZYJUKWPGDKMQ-UHFFFAOYSA-N -1 1 376.380 1.762 20 0 GDADMM COCC(C)(C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826148956 607604876 /nfs/dbraw/zinc/60/48/76/607604876.db2.gz VGIKDABHWWTRES-UHFFFAOYSA-N -1 1 379.364 1.589 20 0 GDADMM CC(C)[C@](C)(CNC(=O)[O-])NCc1nnc2n1c1ccsc1c(=O)n2C ZINC000738767887 603079471 /nfs/dbraw/zinc/07/94/71/603079471.db2.gz ABAJYXCJYRELHF-INIZCTEOSA-N -1 1 378.458 1.415 20 0 GDADMM C[C@@](CNC(=O)[O-])(NC(=O)CCN1CCN(c2ccccn2)CC1)C1CC1 ZINC000738924353 603096541 /nfs/dbraw/zinc/09/65/41/603096541.db2.gz IPALPTKVSIAIQF-IBGZPJMESA-N -1 1 375.473 1.146 20 0 GDADMM Cc1ccc(OS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)c(C=O)n1 ZINC000826292251 607608166 /nfs/dbraw/zinc/60/81/66/607608166.db2.gz NCKDQNJGYRXUJJ-UHFFFAOYSA-N -1 1 379.785 1.804 20 0 GDADMM Cc1ccc(OS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c(C=O)n1 ZINC000826292941 607608562 /nfs/dbraw/zinc/60/85/62/607608562.db2.gz UATONYCSXRGVFM-UHFFFAOYSA-N -1 1 379.785 1.804 20 0 GDADMM Cc1ccc(OS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c(C=O)n1 ZINC000826292941 607608564 /nfs/dbraw/zinc/60/85/64/607608564.db2.gz UATONYCSXRGVFM-UHFFFAOYSA-N -1 1 379.785 1.804 20 0 GDADMM CC(C)(C)OC(=O)N(CC(=O)OCc1ccnc(-c2nnn[n-]2)c1)CC1CC1 ZINC000824098869 607609925 /nfs/dbraw/zinc/60/99/25/607609925.db2.gz CTCGWZCRFMHUAK-UHFFFAOYSA-N -1 1 388.428 1.952 20 0 GDADMM CC(C)(C)OC(=O)N(CC(=O)OCc1ccnc(-c2nn[n-]n2)c1)CC1CC1 ZINC000824098869 607609927 /nfs/dbraw/zinc/60/99/27/607609927.db2.gz CTCGWZCRFMHUAK-UHFFFAOYSA-N -1 1 388.428 1.952 20 0 GDADMM O=S(=O)(NC[C@@H]1CCOc2ccccc21)c1cccc(F)c1-c1nnn[n-]1 ZINC000826490097 607612476 /nfs/dbraw/zinc/61/24/76/607612476.db2.gz JRTSOXBVXVUPNO-NSHDSACASA-N -1 1 389.412 1.850 20 0 GDADMM O=S(=O)(NC[C@@H]1CCOc2ccccc21)c1cccc(F)c1-c1nn[n-]n1 ZINC000826490097 607612477 /nfs/dbraw/zinc/61/24/77/607612477.db2.gz JRTSOXBVXVUPNO-NSHDSACASA-N -1 1 389.412 1.850 20 0 GDADMM C[C@H]1CN(C(=O)Nc2ccccc2N2CCN(C)CC2)CC[C@H]1NC(=O)[O-] ZINC000739146009 603184561 /nfs/dbraw/zinc/18/45/61/603184561.db2.gz OSIUJYHUJBKTHE-LSDHHAIUSA-N -1 1 375.473 1.948 20 0 GDADMM O=C([O-])N[C@@H](Cc1ccccc1)C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000740537306 603192610 /nfs/dbraw/zinc/19/26/10/603192610.db2.gz UPNMRRIJMBEVMI-SFHVURJKSA-N -1 1 375.469 1.436 20 0 GDADMM CC(C)n1cc([C@@H](C)NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cn1 ZINC000824640107 607614679 /nfs/dbraw/zinc/61/46/79/607614679.db2.gz AJNVOKFOIVYNBS-SNVBAGLBSA-N -1 1 379.421 1.823 20 0 GDADMM CC(C)C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)C(=O)OC(C)C ZINC000824275427 607616294 /nfs/dbraw/zinc/61/62/94/607616294.db2.gz RYAJSFVKTHEMSF-LBPRGKRZSA-N -1 1 399.448 1.650 20 0 GDADMM CC(C)C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)C(=O)OC(C)C ZINC000824275427 607616296 /nfs/dbraw/zinc/61/62/96/607616296.db2.gz RYAJSFVKTHEMSF-LBPRGKRZSA-N -1 1 399.448 1.650 20 0 GDADMM CCN1CCN(c2ccc(CNC(=O)[C@H]3CCC[C@@H](NC(=O)[O-])C3)cn2)CC1 ZINC000739462242 603241747 /nfs/dbraw/zinc/24/17/47/603241747.db2.gz XBABRQYKZDVADA-DLBZAZTESA-N -1 1 389.500 1.666 20 0 GDADMM O=C([O-])N1CC[C@H](C(=O)Nc2ccc3nc(CCN4CCOCC4)[nH]c3c2)C1 ZINC000740464472 603296587 /nfs/dbraw/zinc/29/65/87/603296587.db2.gz FAVDJDWTFAUIAX-ZDUSSCGKSA-N -1 1 387.440 1.376 20 0 GDADMM C[C@H]1CN(C(=O)CCn2c(=O)c3ccccc3[nH]c2=S)CC[C@@H]1NC(=O)[O-] ZINC000739123891 603348047 /nfs/dbraw/zinc/34/80/47/603348047.db2.gz IDCQWGZPXIOESY-AAEUAGOBSA-N -1 1 390.465 1.580 20 0 GDADMM O=S(=O)(NC[C@H](O)c1ccccc1F)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826489681 607625631 /nfs/dbraw/zinc/62/56/31/607625631.db2.gz XBHZUXBGNQFWAC-ZDUSSCGKSA-N -1 1 381.364 1.157 20 0 GDADMM CNC(=O)c1cc(S(=O)(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)cn1C ZINC000828556405 603400468 /nfs/dbraw/zinc/40/04/68/603400468.db2.gz DTINNUCSMOEOLZ-JTQLQIEISA-N -1 1 380.426 1.514 20 0 GDADMM O=S(=O)(NCC1(O)CCC1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826490202 607628232 /nfs/dbraw/zinc/62/82/32/607628232.db2.gz MRTARXRROYGCQP-UHFFFAOYSA-N -1 1 377.348 1.079 20 0 GDADMM C[C@@H](CN(C)C(=O)[O-])C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000824875101 603454422 /nfs/dbraw/zinc/45/44/22/603454422.db2.gz ZRPLCLBTQREKCO-NSHDSACASA-N -1 1 393.425 1.462 20 0 GDADMM O=C([O-])N[C@H](CC(=O)N[C@@H](c1nn[nH]n1)c1ccccc1)Cc1ccccc1 ZINC000832099460 603509001 /nfs/dbraw/zinc/50/90/01/603509001.db2.gz NRUIUYJKVHZRTB-DOTOQJQBSA-N -1 1 380.408 1.674 20 0 GDADMM CN(C)Cc1ccc(C(N)=O)cc1NC(=O)NCC[C@@H]1CCN(C(=O)[O-])C1 ZINC000828042360 603562188 /nfs/dbraw/zinc/56/21/88/603562188.db2.gz AZSXSLYSWBFARY-GFCCVEGCSA-N -1 1 377.445 1.359 20 0 GDADMM CCC[C@@H](C)NC(=O)[C@@H]1CCCN(CN2CC3(CN(C(=O)[O-])C3)CC2=O)C1 ZINC000826736153 603586220 /nfs/dbraw/zinc/58/62/20/603586220.db2.gz SFBZUSONMCNETE-HUUCEWRRSA-N -1 1 380.489 1.173 20 0 GDADMM O=C([O-])NC[C@@H]1CCCC[C@@]12NC(=O)N(CN1CCC[C@H]1C1CCC1)C2=O ZINC000832498751 603600636 /nfs/dbraw/zinc/60/06/36/603600636.db2.gz KYEKSTBDCTVJGR-YZVOILCLSA-N -1 1 378.473 1.957 20 0 GDADMM O=S(=O)(NC[C@@H](O)c1ccccc1Cl)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826489000 607643479 /nfs/dbraw/zinc/64/34/79/607643479.db2.gz FHCWGKZXCHTJAW-CYBMUJFWSA-N -1 1 397.819 1.671 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cccc(CN3CCN(C)CC3)c2)[C@@H]1CNC(=O)[O-] ZINC000825918158 603692568 /nfs/dbraw/zinc/69/25/68/603692568.db2.gz CWFWJQHOWCIICG-QFBILLFUSA-N -1 1 388.512 1.942 20 0 GDADMM CC1(C)[C@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)[C@@H]2CCCO[C@@H]21 ZINC000824788621 607646141 /nfs/dbraw/zinc/64/61/41/607646141.db2.gz BRXJHFZUGNNRSZ-FZZIBODNSA-N -1 1 381.433 1.488 20 0 GDADMM CC1(C)[C@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)[C@@H]2CCCO[C@@H]21 ZINC000824788621 607646143 /nfs/dbraw/zinc/64/61/43/607646143.db2.gz BRXJHFZUGNNRSZ-FZZIBODNSA-N -1 1 381.433 1.488 20 0 GDADMM CN(C)c1cc(C(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)ccn1 ZINC000828054962 603735407 /nfs/dbraw/zinc/73/54/07/603735407.db2.gz AQJOKACVOLFYAO-UHFFFAOYSA-N -1 1 381.396 1.953 20 0 GDADMM CN(C)c1cc(C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)ccn1 ZINC000828054962 603735408 /nfs/dbraw/zinc/73/54/08/603735408.db2.gz AQJOKACVOLFYAO-UHFFFAOYSA-N -1 1 381.396 1.953 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000826495436 607653766 /nfs/dbraw/zinc/65/37/66/607653766.db2.gz PDRCCTBKEACHSB-NSHDSACASA-N -1 1 397.766 1.208 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000826495436 607653768 /nfs/dbraw/zinc/65/37/68/607653768.db2.gz PDRCCTBKEACHSB-NSHDSACASA-N -1 1 397.766 1.208 20 0 GDADMM CC(C)CN1CCO[C@@H](CNC(=O)COc2ccc(N(C)C(=O)[O-])cc2)C1 ZINC000824257698 603778960 /nfs/dbraw/zinc/77/89/60/603778960.db2.gz UDQZDUUMWFLMFE-KRWDZBQOSA-N -1 1 379.457 1.653 20 0 GDADMM CCN1CCN(c2ccc(C(=O)O[C@@H]3CN(C(=O)[O-])CCC3=O)cc2)CC1 ZINC000827229263 603853274 /nfs/dbraw/zinc/85/32/74/603853274.db2.gz YZIRKOXARPBWLX-QGZVFWFLSA-N -1 1 375.425 1.307 20 0 GDADMM CC[C@@H]1CN(C(=O)C2(NC(=O)[O-])Cc3ccccc3C2)CCN1C[C@@H](C)O ZINC000826681467 603856811 /nfs/dbraw/zinc/85/68/11/603856811.db2.gz GBGJIRQSKRFCAZ-RHSMWYFYSA-N -1 1 375.469 1.095 20 0 GDADMM CCCc1nnc([C@@H]2CN(C(=O)[C@H]3[C@@H](C)OC(C)(C)N3C(=O)[O-])CCO2)[nH]1 ZINC000826953108 603861418 /nfs/dbraw/zinc/86/14/18/603861418.db2.gz CDJZUWFCRLPWIF-NTZNESFSSA-N -1 1 381.433 1.161 20 0 GDADMM CCCc1n[nH]c([C@@H]2CN(C(=O)[C@H]3[C@@H](C)OC(C)(C)N3C(=O)[O-])CCO2)n1 ZINC000826953108 603861419 /nfs/dbraw/zinc/86/14/19/603861419.db2.gz CDJZUWFCRLPWIF-NTZNESFSSA-N -1 1 381.433 1.161 20 0 GDADMM O=C([O-])NC[C@H]1CCCC[C@H]1NC(=O)N1CCC(CN2CCOCC2)CC1 ZINC000832498873 603864610 /nfs/dbraw/zinc/86/46/10/603864610.db2.gz MIMVLCFWWPWDDS-IAGOWNOFSA-N -1 1 382.505 1.567 20 0 GDADMM O=C([O-])N1[C@@H]2CC[C@H]1CC(NC(=O)N1CCC(CN3CCOCC3)CC1)C2 ZINC000831581023 603881323 /nfs/dbraw/zinc/88/13/23/603881323.db2.gz WQUXYLJZZQFORR-ALOPSCKCSA-N -1 1 380.489 1.414 20 0 GDADMM CC(C)(CNC(=O)NCCN1CCN(Cc2ccccc2)CC1)NC(=O)[O-] ZINC000823936590 603889035 /nfs/dbraw/zinc/88/90/35/603889035.db2.gz JFTCABPDAAQVIP-UHFFFAOYSA-N -1 1 377.489 1.150 20 0 GDADMM CCN(Cc1ccccc1NC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C)C(=O)[O-] ZINC000827182452 603908626 /nfs/dbraw/zinc/90/86/26/603908626.db2.gz MIZGAUANTUVSBW-SUMWQHHRSA-N -1 1 388.468 1.724 20 0 GDADMM COc1cc(NC(=O)C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)ccc1NC(=O)[O-] ZINC000829147601 603909832 /nfs/dbraw/zinc/90/98/32/603909832.db2.gz QCDRJCRDVSNGMW-YGRLFVJLSA-N -1 1 376.413 1.323 20 0 GDADMM NC(=O)c1ccc(C(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)s1 ZINC000831222972 603913826 /nfs/dbraw/zinc/91/38/26/603913826.db2.gz TYEAQBGHEVLINM-UHFFFAOYSA-N -1 1 386.393 1.652 20 0 GDADMM NC(=O)c1ccc(C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)s1 ZINC000831222972 603913828 /nfs/dbraw/zinc/91/38/28/603913828.db2.gz TYEAQBGHEVLINM-UHFFFAOYSA-N -1 1 386.393 1.652 20 0 GDADMM Cc1ccccc1[C@@H](CO)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826306416 607660034 /nfs/dbraw/zinc/66/00/34/607660034.db2.gz YHRROMTVFPQCFY-CYBMUJFWSA-N -1 1 393.856 1.840 20 0 GDADMM Cc1ccccc1[C@@H](CO)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826306416 607660036 /nfs/dbraw/zinc/66/00/36/607660036.db2.gz YHRROMTVFPQCFY-CYBMUJFWSA-N -1 1 393.856 1.840 20 0 GDADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N[C@H]1CCCC[C@H]1CNC(=O)[O-] ZINC000825460221 603921069 /nfs/dbraw/zinc/92/10/69/603921069.db2.gz ZGQIWBAXOCCJMW-OBJOEFQTSA-N -1 1 387.440 1.624 20 0 GDADMM CC(C)[C@@H](CNC(=O)NC[C@@H](NC(=O)[O-])c1ccccc1)N1CCN(C)CC1 ZINC000824117642 603921877 /nfs/dbraw/zinc/92/18/77/603921877.db2.gz QHLRWEBUOZVPOC-QZTJIDSGSA-N -1 1 391.516 1.567 20 0 GDADMM CCN(C[C@H](O)c1ccc(C)cc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825398999 607660597 /nfs/dbraw/zinc/66/05/97/607660597.db2.gz DVBDCVBPUNJRSP-INIZCTEOSA-N -1 1 388.453 1.314 20 0 GDADMM CCN(C[C@H](O)c1ccc(C)cc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825398999 607660599 /nfs/dbraw/zinc/66/05/99/607660599.db2.gz DVBDCVBPUNJRSP-INIZCTEOSA-N -1 1 388.453 1.314 20 0 GDADMM CCOC(=O)[C@H](CC1CC1)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825485844 607660632 /nfs/dbraw/zinc/66/06/32/607660632.db2.gz KBPUTLJYXYKMSN-LBPRGKRZSA-N -1 1 383.405 1.016 20 0 GDADMM CCc1nc([C@H]2CN(C(=O)CC3C[C@H]4CC[C@@H](C3)N4C(=O)[O-])CCO2)n[nH]1 ZINC000827620072 603931359 /nfs/dbraw/zinc/93/13/59/603931359.db2.gz DPISKQODRGTSNE-WTUNAVPPSA-N -1 1 377.445 1.578 20 0 GDADMM CC(C)[C@H](CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[O-])N1CCN(C)CC1 ZINC000738775090 603935096 /nfs/dbraw/zinc/93/50/96/603935096.db2.gz OTJXYPUAGCOPDG-MSOLQXFVSA-N -1 1 376.501 1.254 20 0 GDADMM O=S(=O)(N[C@@H]1C=C[C@H](CO)C1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 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ZINC000833781938 605609846 /nfs/dbraw/zinc/60/98/46/605609846.db2.gz QDLNYZBMRIALKY-UHFFFAOYSA-N -1 1 397.497 1.293 20 0 GDADMM O=C([O-])N1CCC[C@@H](n2cc(C(=O)NCCCCN3CCOCC3)cn2)C1 ZINC000834040610 605639875 /nfs/dbraw/zinc/63/98/75/605639875.db2.gz SEMAABPRMSNCCC-MRXNPFEDSA-N -1 1 379.461 1.040 20 0 GDADMM C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824883727 607767915 /nfs/dbraw/zinc/76/79/15/607767915.db2.gz IVULTCDSVANAAR-VXGBXAGGSA-N -1 1 387.444 1.637 20 0 GDADMM C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824883727 607767916 /nfs/dbraw/zinc/76/79/16/607767916.db2.gz IVULTCDSVANAAR-VXGBXAGGSA-N -1 1 387.444 1.637 20 0 GDADMM Cc1nc(S(=O)(=O)N[C@@H](CNC(=O)[O-])C2CC2)sc1Br ZINC000833916971 605783753 /nfs/dbraw/zinc/78/37/53/605783753.db2.gz UVNPUKNNOXQFMI-ZETCQYMHSA-N -1 1 384.277 1.539 20 0 GDADMM C[C@@H](OC(=O)c1cc(C(=O)[O-])no1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000833534050 605822072 /nfs/dbraw/zinc/82/20/72/605822072.db2.gz QRYJXSWVWOQBCY-OCCSQVGLSA-N -1 1 387.392 1.309 20 0 GDADMM C[C@@H]1C[C@H](CNC(=O)[O-])CN1CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000833833625 605900343 /nfs/dbraw/zinc/90/03/43/605900343.db2.gz YVHRPBCADWOZBN-HUUCEWRRSA-N -1 1 376.457 1.440 20 0 GDADMM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000834093984 605963854 /nfs/dbraw/zinc/96/38/54/605963854.db2.gz DMSRGLVWGAZYJV-MOPGFXCFSA-N -1 1 386.496 1.548 20 0 GDADMM O=C([O-])N1CCC[C@H](OCC(=O)Nc2ccccc2CN2CCC(O)CC2)C1 ZINC000834009184 605975879 /nfs/dbraw/zinc/97/58/79/605975879.db2.gz BZVBULQALRGZKG-KRWDZBQOSA-N -1 1 391.468 1.741 20 0 GDADMM O=C([O-])NCc1nc(-c2ccc(NS(=O)(=O)C[C@H]3CCCO3)cc2)n[nH]1 ZINC000834246435 606018250 /nfs/dbraw/zinc/01/82/50/606018250.db2.gz BTJMCCNUJTVPRK-GFCCVEGCSA-N -1 1 381.414 1.160 20 0 GDADMM Cc1noc2ncc(S(=O)(=O)Nc3ccc(OCCNC(=O)[O-])cc3)cc12 ZINC000833933801 606080044 /nfs/dbraw/zinc/08/00/44/606080044.db2.gz PFIHEIYRUQGJEI-UHFFFAOYSA-N -1 1 392.393 1.978 20 0 GDADMM CC(=O)NCc1ccc(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)s1 ZINC000819810325 606131840 /nfs/dbraw/zinc/13/18/40/606131840.db2.gz GZSYAYHSBGSVJC-UHFFFAOYSA-N -1 1 391.434 1.666 20 0 GDADMM CC(=O)NCc1ccc(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)s1 ZINC000819810325 606131841 /nfs/dbraw/zinc/13/18/41/606131841.db2.gz GZSYAYHSBGSVJC-UHFFFAOYSA-N -1 1 391.434 1.666 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccc(OC(F)(F)F)cc2)n1 ZINC000822619687 606157418 /nfs/dbraw/zinc/15/74/18/606157418.db2.gz FQUSJAQUPBNMNX-UHFFFAOYSA-N -1 1 382.306 1.821 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccc(OC(F)(F)F)cc2)n1 ZINC000822619687 606157420 /nfs/dbraw/zinc/15/74/20/606157420.db2.gz FQUSJAQUPBNMNX-UHFFFAOYSA-N -1 1 382.306 1.821 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H](Cc2nccn2C)c2ccccc2)n1 ZINC000822609433 606161315 /nfs/dbraw/zinc/16/13/15/606161315.db2.gz NYSHJRRSQNWOHC-CQSZACIVSA-N -1 1 392.427 1.439 20 0 GDADMM Cc1nc2ccccc2n1CCCNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000822462321 606162426 /nfs/dbraw/zinc/16/24/26/606162426.db2.gz GPUYZSSQGZRWDD-UHFFFAOYSA-N -1 1 380.416 1.470 20 0 GDADMM Cc1nc2ccccc2n1CCCNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000822462321 606162428 /nfs/dbraw/zinc/16/24/28/606162428.db2.gz GPUYZSSQGZRWDD-UHFFFAOYSA-N -1 1 380.416 1.470 20 0 GDADMM C[C@H]1CN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CCN1C(=O)OC(C)(C)C ZINC000820743427 606171802 /nfs/dbraw/zinc/17/18/02/606171802.db2.gz UGSPCPWTPHKYBO-JTQLQIEISA-N -1 1 391.436 1.073 20 0 GDADMM C[C@H]1CN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CCN1C(=O)OC(C)(C)C ZINC000820743427 606171803 /nfs/dbraw/zinc/17/18/03/606171803.db2.gz UGSPCPWTPHKYBO-JTQLQIEISA-N -1 1 391.436 1.073 20 0 GDADMM COC(=O)[C@H]1CCC[C@@H](C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000821655669 606186024 /nfs/dbraw/zinc/18/60/24/606186024.db2.gz PMLSISMMUBVVHC-MNOVXSKESA-N -1 1 375.433 1.736 20 0 GDADMM COC(=O)[C@H]1CCC[C@@H](C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000821655669 606186027 /nfs/dbraw/zinc/18/60/27/606186027.db2.gz PMLSISMMUBVVHC-MNOVXSKESA-N -1 1 375.433 1.736 20 0 GDADMM Cc1ccccc1Cc1noc(COC(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC000822362382 606191727 /nfs/dbraw/zinc/19/17/27/606191727.db2.gz QXGISAMVYCLTES-UHFFFAOYSA-N -1 1 377.364 1.901 20 0 GDADMM Cc1ccccc1Cc1noc(COC(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC000822362382 606191728 /nfs/dbraw/zinc/19/17/28/606191728.db2.gz QXGISAMVYCLTES-UHFFFAOYSA-N -1 1 377.364 1.901 20 0 GDADMM O=C(COC(=O)[C@@H]1CCCS1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000823018352 606192169 /nfs/dbraw/zinc/19/21/69/606192169.db2.gz LMQDVXOZAIRVHZ-ZDUSSCGKSA-N -1 1 399.436 1.430 20 0 GDADMM O=C(COC(=O)[C@@H]1CCCS1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000823018352 606192171 /nfs/dbraw/zinc/19/21/71/606192171.db2.gz LMQDVXOZAIRVHZ-ZDUSSCGKSA-N -1 1 399.436 1.430 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000823294906 606196391 /nfs/dbraw/zinc/19/63/91/606196391.db2.gz XGLHDFFGANGGDM-UHFFFAOYSA-N -1 1 393.338 1.510 20 0 GDADMM O=c1ccc2cc(S(=O)(=O)[N-]c3ccc(F)c(-c4nn[nH]n4)c3)ccc2[nH]1 ZINC000823665990 606205220 /nfs/dbraw/zinc/20/52/20/606205220.db2.gz ZJNNFVPUNUPXAS-UHFFFAOYSA-N -1 1 386.368 1.648 20 0 GDADMM Cc1cccc([C@@H](CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])NC(N)=O)c1 ZINC000822288758 606292765 /nfs/dbraw/zinc/29/27/65/606292765.db2.gz IQVAPXVENSLNPY-CYBMUJFWSA-N -1 1 381.396 1.619 20 0 GDADMM Cc1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])ccc1N1CCNC1=O ZINC000822177107 606292912 /nfs/dbraw/zinc/29/29/12/606292912.db2.gz UNAVUSHLGGVSSC-UHFFFAOYSA-N -1 1 379.380 1.663 20 0 GDADMM O=C(CSCC(=O)N1CCCCC1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823055783 606293434 /nfs/dbraw/zinc/29/34/34/606293434.db2.gz WDCMCWACXBRWOF-UHFFFAOYSA-N -1 1 376.442 1.257 20 0 GDADMM CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1 ZINC000821937716 606296531 /nfs/dbraw/zinc/29/65/31/606296531.db2.gz POIBCXQDZKDPOI-UHFFFAOYSA-N -1 1 393.812 1.882 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@@H]1CCCSC1 ZINC000822457997 606364587 /nfs/dbraw/zinc/36/45/87/606364587.db2.gz BNFWLASUVHNASG-GFCCVEGCSA-N -1 1 386.485 1.471 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@@H]1CCCSC1 ZINC000822457997 606364589 /nfs/dbraw/zinc/36/45/89/606364589.db2.gz BNFWLASUVHNASG-GFCCVEGCSA-N -1 1 386.485 1.471 20 0 GDADMM O=C([C@H]1CC12CCOCC2)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000822917226 606379212 /nfs/dbraw/zinc/37/92/12/606379212.db2.gz QHKFUVFFWJVSOZ-CYBMUJFWSA-N -1 1 399.455 1.197 20 0 GDADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CC(=O)c2cc(C)c(F)cc2F)c1 ZINC000821667061 606399119 /nfs/dbraw/zinc/39/91/19/606399119.db2.gz SHBXOLIMYHIQLL-UHFFFAOYSA-N -1 1 389.318 1.285 20 0 GDADMM O=S(=O)(Cc1ccccc1)NCCNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000823566182 606454493 /nfs/dbraw/zinc/45/44/93/606454493.db2.gz ALZDNTQIMMGRPR-UHFFFAOYSA-N -1 1 393.860 1.447 20 0 GDADMM O=S(=O)(Cc1ccccc1)NCCNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000823566182 606454496 /nfs/dbraw/zinc/45/44/96/606454496.db2.gz ALZDNTQIMMGRPR-UHFFFAOYSA-N -1 1 393.860 1.447 20 0 GDADMM Clc1ccc(Sc2nnc(N3CCOCC3)s2)nc1-c1nnn[n-]1 ZINC000822581692 606460604 /nfs/dbraw/zinc/46/06/04/606460604.db2.gz KRAIZROENIEPRN-UHFFFAOYSA-N -1 1 382.862 1.754 20 0 GDADMM Clc1ccc(Sc2nnc(N3CCOCC3)s2)nc1-c1nn[n-]n1 ZINC000822581692 606460605 /nfs/dbraw/zinc/46/06/05/606460605.db2.gz KRAIZROENIEPRN-UHFFFAOYSA-N -1 1 382.862 1.754 20 0 GDADMM Cc1ccc([C@H]2[C@@H](C)CCCN2c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1 ZINC000822231664 606475970 /nfs/dbraw/zinc/47/59/70/606475970.db2.gz CCAMDWOYQYMFOY-XJKSGUPXSA-N -1 1 395.467 1.550 20 0 GDADMM C[C@@]1(c2cccc(NC(=O)c3ccc(-c4nnn[n-]4)s3)c2)NC(=O)NC1=O ZINC000820636615 606514861 /nfs/dbraw/zinc/51/48/61/606514861.db2.gz VDXYJIMTIHQISO-INIZCTEOSA-N -1 1 383.393 1.235 20 0 GDADMM C[C@@]1(c2cccc(NC(=O)c3ccc(-c4nn[n-]n4)s3)c2)NC(=O)NC1=O ZINC000820636615 606514863 /nfs/dbraw/zinc/51/48/63/606514863.db2.gz VDXYJIMTIHQISO-INIZCTEOSA-N -1 1 383.393 1.235 20 0 GDADMM O=C(Nc1ccccn1)[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000823373086 606528221 /nfs/dbraw/zinc/52/82/21/606528221.db2.gz QDZNBUPKJACYKG-LLVKDONJSA-N -1 1 383.437 1.814 20 0 GDADMM O=C(Nc1ccccn1)[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000823373086 606528222 /nfs/dbraw/zinc/52/82/22/606528222.db2.gz QDZNBUPKJACYKG-LLVKDONJSA-N -1 1 383.437 1.814 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CSC[C@H]1C(=O)N1CCSCC1 ZINC000822918036 606541603 /nfs/dbraw/zinc/54/16/03/606541603.db2.gz YBGZGCOEJIEDEJ-VIFPVBQESA-N -1 1 396.523 1.019 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CSC[C@H]1C(=O)N1CCSCC1 ZINC000822918036 606541604 /nfs/dbraw/zinc/54/16/04/606541604.db2.gz YBGZGCOEJIEDEJ-VIFPVBQESA-N -1 1 396.523 1.019 20 0 GDADMM COc1cc(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)s2)cc(OC)c1 ZINC000821720160 606544692 /nfs/dbraw/zinc/54/46/92/606544692.db2.gz NVBRBGIBQWMHEZ-UHFFFAOYSA-N -1 1 388.409 1.314 20 0 GDADMM COc1cc(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)s2)cc(OC)c1 ZINC000821720160 606544694 /nfs/dbraw/zinc/54/46/94/606544694.db2.gz NVBRBGIBQWMHEZ-UHFFFAOYSA-N -1 1 388.409 1.314 20 0 GDADMM NC(=O)c1ccccc1N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000822889812 606558694 /nfs/dbraw/zinc/55/86/94/606558694.db2.gz FTMFTYMDGNZUCM-JTQLQIEISA-N -1 1 383.437 1.036 20 0 GDADMM NC(=O)c1ccccc1N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000822889812 606558696 /nfs/dbraw/zinc/55/86/96/606558696.db2.gz FTMFTYMDGNZUCM-JTQLQIEISA-N -1 1 383.437 1.036 20 0 GDADMM CCc1noc([C@@H](C)N2CCN(C(=O)c3ccc(-c4nnn[n-]4)s3)CC2)n1 ZINC000821553476 606558787 /nfs/dbraw/zinc/55/87/87/606558787.db2.gz JKXXKCSRURKUBY-SNVBAGLBSA-N -1 1 388.457 1.393 20 0 GDADMM CCc1noc([C@@H](C)N2CCN(C(=O)c3ccc(-c4nn[n-]n4)s3)CC2)n1 ZINC000821553476 606558789 /nfs/dbraw/zinc/55/87/89/606558789.db2.gz JKXXKCSRURKUBY-SNVBAGLBSA-N -1 1 388.457 1.393 20 0 GDADMM Cc1cccc(-n2cc(C(=O)COC(=O)c3ccc(-c4nnn[n-]4)s3)nn2)c1 ZINC000822283795 606561244 /nfs/dbraw/zinc/56/12/44/606561244.db2.gz CUEIPJRIIMDUPP-UHFFFAOYSA-N -1 1 395.404 1.857 20 0 GDADMM Cc1cccc(-n2cc(C(=O)COC(=O)c3ccc(-c4nn[n-]n4)s3)nn2)c1 ZINC000822283795 606561245 /nfs/dbraw/zinc/56/12/45/606561245.db2.gz CUEIPJRIIMDUPP-UHFFFAOYSA-N -1 1 395.404 1.857 20 0 GDADMM C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820262790 606566085 /nfs/dbraw/zinc/56/60/85/606566085.db2.gz ZEDXAEBBWQPBMZ-CYBMUJFWSA-N -1 1 398.496 1.264 20 0 GDADMM Cc1nc(CN2CCC[C@@H](N(C)C(=O)c3ccc(-c4nnn[n-]4)s3)C2)no1 ZINC000822441414 606573750 /nfs/dbraw/zinc/57/37/50/606573750.db2.gz ZDWUFKZMFAYJQS-LLVKDONJSA-N -1 1 388.457 1.356 20 0 GDADMM Cc1nc(CN2CCC[C@@H](N(C)C(=O)c3ccc(-c4nn[n-]n4)s3)C2)no1 ZINC000822441414 606573752 /nfs/dbraw/zinc/57/37/52/606573752.db2.gz ZDWUFKZMFAYJQS-LLVKDONJSA-N -1 1 388.457 1.356 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H](C)Cc1ccncc1 ZINC000822006133 606588580 /nfs/dbraw/zinc/58/85/80/606588580.db2.gz YIQKFJJFFWUULZ-LLVKDONJSA-N -1 1 381.440 1.659 20 0 GDADMM CC(C)(C)OC(=O)[C@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000819921983 606617936 /nfs/dbraw/zinc/61/79/36/606617936.db2.gz CXALYDNNOLQXGS-JTQLQIEISA-N -1 1 397.432 1.358 20 0 GDADMM CC(C)(C)OC(=O)[C@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000819921983 606617937 /nfs/dbraw/zinc/61/79/37/606617937.db2.gz CXALYDNNOLQXGS-JTQLQIEISA-N -1 1 397.432 1.358 20 0 GDADMM COc1cc(OC)cc(OCCCNC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000821723471 606624889 /nfs/dbraw/zinc/62/48/89/606624889.db2.gz ADIVDXMIVNJOGZ-UHFFFAOYSA-N -1 1 384.396 1.478 20 0 GDADMM COc1cc(OC)cc(OCCCNC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000821723471 606624891 /nfs/dbraw/zinc/62/48/91/606624891.db2.gz ADIVDXMIVNJOGZ-UHFFFAOYSA-N -1 1 384.396 1.478 20 0 GDADMM Cc1nc(COc2ccccc2C(=O)OCc2ccnc(-c3nnn[n-]3)c2)no1 ZINC000822444338 606648776 /nfs/dbraw/zinc/64/87/76/606648776.db2.gz MMAKYMKIZCFPDC-UHFFFAOYSA-N -1 1 393.363 1.889 20 0 GDADMM Cc1nc(COc2ccccc2C(=O)OCc2ccnc(-c3nn[n-]n3)c2)no1 ZINC000822444338 606648777 /nfs/dbraw/zinc/64/87/77/606648777.db2.gz MMAKYMKIZCFPDC-UHFFFAOYSA-N -1 1 393.363 1.889 20 0 GDADMM Cc1sc2ncn(CC(=O)OCc3ccnc(-c4nnn[n-]4)c3)c(=O)c2c1C ZINC000822563989 606652037 /nfs/dbraw/zinc/65/20/37/606652037.db2.gz TWVBWLCJRKVQIL-UHFFFAOYSA-N -1 1 397.420 1.393 20 0 GDADMM Cc1sc2ncn(CC(=O)OCc3ccnc(-c4nn[n-]n4)c3)c(=O)c2c1C ZINC000822563989 606652038 /nfs/dbraw/zinc/65/20/38/606652038.db2.gz TWVBWLCJRKVQIL-UHFFFAOYSA-N -1 1 397.420 1.393 20 0 GDADMM CC(C)COC(=O)N1CCC(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC000820098007 606652298 /nfs/dbraw/zinc/65/22/98/606652298.db2.gz VPLREJQORPEIPX-UHFFFAOYSA-N -1 1 388.428 1.810 20 0 GDADMM CC(C)COC(=O)N1CCC(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC000820098007 606652299 /nfs/dbraw/zinc/65/22/99/606652299.db2.gz VPLREJQORPEIPX-UHFFFAOYSA-N -1 1 388.428 1.810 20 0 GDADMM Cc1cccc(N2C[C@H](C(=O)OCc3ccnc(-c4nnn[n-]4)c3)CC2=O)c1C ZINC000822308510 606652859 /nfs/dbraw/zinc/65/28/59/606652859.db2.gz GBMUYYCKZLLSOA-OAHLLOKOSA-N -1 1 392.419 1.975 20 0 GDADMM Cc1cccc(N2C[C@H](C(=O)OCc3ccnc(-c4nn[n-]n4)c3)CC2=O)c1C ZINC000822308510 606652860 /nfs/dbraw/zinc/65/28/60/606652860.db2.gz GBMUYYCKZLLSOA-OAHLLOKOSA-N -1 1 392.419 1.975 20 0 GDADMM CN1C(=O)CC[C@H](C(=O)OCc2ccnc(-c3nnn[n-]3)c2)[C@H]1c1ccccc1 ZINC000821618980 606653656 /nfs/dbraw/zinc/65/36/56/606653656.db2.gz DIIRSBFFPVTHLD-MAUKXSAKSA-N -1 1 392.419 1.915 20 0 GDADMM CN1C(=O)CC[C@H](C(=O)OCc2ccnc(-c3nn[n-]n3)c2)[C@H]1c1ccccc1 ZINC000821618980 606653657 /nfs/dbraw/zinc/65/36/57/606653657.db2.gz DIIRSBFFPVTHLD-MAUKXSAKSA-N -1 1 392.419 1.915 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC(C)(C)c2cn(-c3ccccc3)nn2)n1 ZINC000822608610 606697381 /nfs/dbraw/zinc/69/73/81/606697381.db2.gz FFRZBLLRPPLWRP-UHFFFAOYSA-N -1 1 393.415 1.238 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC(C)(C)c2cn(-c3ccccc3)nn2)n1 ZINC000822608610 606697382 /nfs/dbraw/zinc/69/73/82/606697382.db2.gz FFRZBLLRPPLWRP-UHFFFAOYSA-N -1 1 393.415 1.238 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCOc2ccc(F)cc21 ZINC000823606191 606713431 /nfs/dbraw/zinc/71/34/31/606713431.db2.gz GFSIVUFIJDKCJI-UHFFFAOYSA-N -1 1 379.348 1.733 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCOc2ccc(F)cc21 ZINC000823606191 606713433 /nfs/dbraw/zinc/71/34/33/606713433.db2.gz GFSIVUFIJDKCJI-UHFFFAOYSA-N -1 1 379.348 1.733 20 0 GDADMM O=S(=O)(NC1CCN(c2cccs2)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823572599 606746857 /nfs/dbraw/zinc/74/68/57/606746857.db2.gz JERWFXSQFTZISW-UHFFFAOYSA-N -1 1 391.482 1.271 20 0 GDADMM O=S(=O)(NC1CCN(c2cccs2)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823572599 606746858 /nfs/dbraw/zinc/74/68/58/606746858.db2.gz JERWFXSQFTZISW-UHFFFAOYSA-N -1 1 391.482 1.271 20 0 GDADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@H](C)c2cccc(-c3nn[nH]n3)c2)o1 ZINC000821637767 606759936 /nfs/dbraw/zinc/75/99/36/606759936.db2.gz SMDKEGMVYHIGDB-SECBINFHSA-N -1 1 377.382 1.286 20 0 GDADMM O=C([O-])c1cc(NS(=O)(=O)c2ccc(F)cc2-c2nn[nH]n2)ccc1F ZINC000823387433 606763790 /nfs/dbraw/zinc/76/37/90/606763790.db2.gz JTCVYLITCYSGTR-UHFFFAOYSA-N -1 1 381.320 1.644 20 0 GDADMM Cc1nc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)oc1C ZINC000822449559 606768298 /nfs/dbraw/zinc/76/82/98/606768298.db2.gz DNOUZZNGUUFSFZ-SECBINFHSA-N -1 1 384.404 1.004 20 0 GDADMM Cc1nc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)oc1C ZINC000822449559 606768300 /nfs/dbraw/zinc/76/83/00/606768300.db2.gz DNOUZZNGUUFSFZ-SECBINFHSA-N -1 1 384.404 1.004 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cnc(Cl)s1 ZINC000820803669 606778428 /nfs/dbraw/zinc/77/84/28/606778428.db2.gz DZVHRTJBOJQBKF-VIFPVBQESA-N -1 1 377.865 1.477 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1cnc(Cl)s1 ZINC000820803669 606778429 /nfs/dbraw/zinc/77/84/29/606778429.db2.gz DZVHRTJBOJQBKF-VIFPVBQESA-N -1 1 377.865 1.477 20 0 GDADMM O=S(=O)([N-]c1cc(CCc2ccccc2)[nH]n1)c1ccc(-c2nn[nH]n2)nc1 ZINC000823583552 606780172 /nfs/dbraw/zinc/78/01/72/606780172.db2.gz TWWULKKRBTYOAT-UHFFFAOYSA-N -1 1 396.436 1.571 20 0 GDADMM COC(=O)c1cc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c(C)o1 ZINC000821667041 606781620 /nfs/dbraw/zinc/78/16/20/606781620.db2.gz RIOFSSVROSAXLP-NSHDSACASA-N -1 1 398.427 1.055 20 0 GDADMM CCCCc1noc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)n1 ZINC000821082776 606785225 /nfs/dbraw/zinc/78/52/25/606785225.db2.gz NZGSMSBQDLXVHP-GFCCVEGCSA-N -1 1 384.448 1.093 20 0 GDADMM CCCCc1noc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)n1 ZINC000821082776 606785227 /nfs/dbraw/zinc/78/52/27/606785227.db2.gz NZGSMSBQDLXVHP-GFCCVEGCSA-N -1 1 384.448 1.093 20 0 GDADMM Cc1ccc(NC(=O)CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cc1 ZINC000822242819 606785811 /nfs/dbraw/zinc/78/58/11/606785811.db2.gz YRBSOKDSYFXPTH-AWEZNQCLSA-N -1 1 393.455 1.114 20 0 GDADMM Cc1ccc(NC(=O)CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cc1 ZINC000822242819 606785812 /nfs/dbraw/zinc/78/58/12/606785812.db2.gz YRBSOKDSYFXPTH-AWEZNQCLSA-N -1 1 393.455 1.114 20 0 GDADMM C[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820706383 606786877 /nfs/dbraw/zinc/78/68/77/606786877.db2.gz ZJZSPIABOHMREM-RDBSUJKOSA-N -1 1 385.476 1.456 20 0 GDADMM C[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820706383 606786879 /nfs/dbraw/zinc/78/68/79/606786879.db2.gz ZJZSPIABOHMREM-RDBSUJKOSA-N -1 1 385.476 1.456 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@@H]2COCC[C@H]21 ZINC000822005170 606817510 /nfs/dbraw/zinc/81/75/10/606817510.db2.gz PBUSVIPJELZRNR-UKRRQHHQSA-N -1 1 386.456 1.544 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820298801 606819821 /nfs/dbraw/zinc/81/98/21/606819821.db2.gz AKLXZPCUOZPEIP-CABCVRRESA-N -1 1 392.467 1.573 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820298801 606819823 /nfs/dbraw/zinc/81/98/23/606819823.db2.gz AKLXZPCUOZPEIP-CABCVRRESA-N -1 1 392.467 1.573 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1ccc(F)cc1 ZINC000820775956 606821195 /nfs/dbraw/zinc/82/11/95/606821195.db2.gz KSBGGCNLYWWQNM-ZDUSSCGKSA-N -1 1 396.430 1.466 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1ccc(F)cc1 ZINC000820775956 606821196 /nfs/dbraw/zinc/82/11/96/606821196.db2.gz KSBGGCNLYWWQNM-ZDUSSCGKSA-N -1 1 396.430 1.466 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C=Cc1ccccc1 ZINC000820778046 606821722 /nfs/dbraw/zinc/82/17/22/606821722.db2.gz UUFIUUUCOFKFAQ-DANTVBBOSA-N -1 1 376.424 1.407 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C=Cc1ccccc1 ZINC000820778046 606821724 /nfs/dbraw/zinc/82/17/24/606821724.db2.gz UUFIUUUCOFKFAQ-DANTVBBOSA-N -1 1 376.424 1.407 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cccc2[nH]ccc21 ZINC000820788966 606831282 /nfs/dbraw/zinc/83/12/82/606831282.db2.gz SIBSYDUUBJXUQH-LBPRGKRZSA-N -1 1 389.423 1.489 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cccc2[nH]ccc21 ZINC000820788966 606831284 /nfs/dbraw/zinc/83/12/84/606831284.db2.gz SIBSYDUUBJXUQH-LBPRGKRZSA-N -1 1 389.423 1.489 20 0 GDADMM Cc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c(C)c1 ZINC000822226363 606832423 /nfs/dbraw/zinc/83/24/23/606832423.db2.gz OPNJEUYTCLATFH-AWEZNQCLSA-N -1 1 378.440 1.624 20 0 GDADMM Cc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c(C)c1 ZINC000822226363 606832424 /nfs/dbraw/zinc/83/24/24/606832424.db2.gz OPNJEUYTCLATFH-AWEZNQCLSA-N -1 1 378.440 1.624 20 0 GDADMM Cn1cccc1[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000822693799 606840940 /nfs/dbraw/zinc/84/09/40/606840940.db2.gz KIJXJMVLNHERFP-AWEZNQCLSA-N -1 1 376.417 1.870 20 0 GDADMM CO[C@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)c1ccccc1 ZINC000821672301 606855519 /nfs/dbraw/zinc/85/55/19/606855519.db2.gz FWSMLUKCEBKCDJ-BBRMVZONSA-N -1 1 394.439 1.082 20 0 GDADMM CO[C@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)c1ccccc1 ZINC000821672301 606855520 /nfs/dbraw/zinc/85/55/20/606855520.db2.gz FWSMLUKCEBKCDJ-BBRMVZONSA-N -1 1 394.439 1.082 20 0 GDADMM CC(C)(C)OC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000819923070 607005081 /nfs/dbraw/zinc/00/50/81/607005081.db2.gz UZGXDCOWPYCTKF-CYBMUJFWSA-N -1 1 397.432 1.501 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000823600566 607006338 /nfs/dbraw/zinc/00/63/38/607006338.db2.gz IMWPVNLXUMQLQX-ZBEGNZNMSA-N -1 1 381.433 1.322 20 0 GDADMM CS(=O)(=O)Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1F ZINC000821927468 607068641 /nfs/dbraw/zinc/06/86/41/607068641.db2.gz YPGCABATBRUFID-UHFFFAOYSA-N -1 1 376.373 1.198 20 0 GDADMM CS(=O)(=O)Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1F ZINC000821927468 607068643 /nfs/dbraw/zinc/06/86/43/607068643.db2.gz YPGCABATBRUFID-UHFFFAOYSA-N -1 1 376.373 1.198 20 0 GDADMM Cc1cc(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)c(=O)n(C)c1 ZINC000822207300 607099221 /nfs/dbraw/zinc/09/92/21/607099221.db2.gz QXNOYILZFVDRKZ-UHFFFAOYSA-N -1 1 383.412 1.163 20 0 GDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC000823380184 607108648 /nfs/dbraw/zinc/10/86/48/607108648.db2.gz RUJNVXPKMNSKEL-LBPRGKRZSA-N -1 1 395.448 1.804 20 0 GDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC000823380184 607108649 /nfs/dbraw/zinc/10/86/49/607108649.db2.gz RUJNVXPKMNSKEL-LBPRGKRZSA-N -1 1 395.448 1.804 20 0 GDADMM COc1ccc(CCC(=O)Nc2ncc(-c3nnn[n-]3)s2)c(OC)c1OC ZINC000821791051 607109593 /nfs/dbraw/zinc/10/95/93/607109593.db2.gz ZWLQHDIDZZKQMV-UHFFFAOYSA-N -1 1 390.425 1.920 20 0 GDADMM COc1ccc(CCC(=O)Nc2ncc(-c3nn[n-]n3)s2)c(OC)c1OC ZINC000821791051 607109595 /nfs/dbraw/zinc/10/95/95/607109595.db2.gz ZWLQHDIDZZKQMV-UHFFFAOYSA-N -1 1 390.425 1.920 20 0 GDADMM COc1cc(OC)cc(S(=O)(=O)[N-]c2cc(-c3nn[nH]n3)ccc2C)c1 ZINC000821727080 607122391 /nfs/dbraw/zinc/12/23/91/607122391.db2.gz BEDBSNAFHARARO-UHFFFAOYSA-N -1 1 375.410 1.993 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@H](C)C[C@@H]1CCOC1 ZINC000822459154 607135009 /nfs/dbraw/zinc/13/50/09/607135009.db2.gz NPAJIQIFYVWXID-RISCZKNCSA-N -1 1 398.471 1.390 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@H](C)C[C@@H]1CCOC1 ZINC000822459154 607135011 /nfs/dbraw/zinc/13/50/11/607135011.db2.gz NPAJIQIFYVWXID-RISCZKNCSA-N -1 1 398.471 1.390 20 0 GDADMM CC(C)(C)OC(=O)Nc1cccc(OC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000819946793 607157535 /nfs/dbraw/zinc/15/75/35/607157535.db2.gz QQTJZENBNUCMCG-UHFFFAOYSA-N -1 1 386.372 1.411 20 0 GDADMM O=C(NCCCF)C1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000823187380 607163999 /nfs/dbraw/zinc/16/39/99/607163999.db2.gz IZONCHZUPBPQNE-UHFFFAOYSA-N -1 1 389.391 1.807 20 0 GDADMM CC[C@H](C[C@H](C)CO)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000820881956 607186946 /nfs/dbraw/zinc/18/69/46/607186946.db2.gz GIFVOLQGNXVHNV-GXFFZTMASA-N -1 1 376.461 1.430 20 0 GDADMM CN(Cc1ccccc1)c1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000821614329 607209582 /nfs/dbraw/zinc/20/95/82/607209582.db2.gz APKRWYAAFNLIQY-UHFFFAOYSA-N -1 1 389.423 1.733 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccc(COC2CCCCC2)c1 ZINC000823136188 607211728 /nfs/dbraw/zinc/21/17/28/607211728.db2.gz NTBQIWRFMBQOBA-UHFFFAOYSA-N -1 1 382.428 1.946 20 0 GDADMM CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821596687 607211945 /nfs/dbraw/zinc/21/19/45/607211945.db2.gz RMYNPXBXHLGJBY-GDBMZVCRSA-N -1 1 382.428 1.085 20 0 GDADMM C[C@@H](CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1c(Cl)cccc1Cl ZINC000820262296 607212238 /nfs/dbraw/zinc/21/22/38/607212238.db2.gz VEWBVTRAIFWROK-QMMMGPOBSA-N -1 1 381.227 1.685 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCC1(c2ccccc2)CCCCCC1 ZINC000823127030 607213825 /nfs/dbraw/zinc/21/38/25/607213825.db2.gz RARHOSCCXBCSDW-UHFFFAOYSA-N -1 1 380.456 1.867 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000823126383 607218006 /nfs/dbraw/zinc/21/80/06/607218006.db2.gz JSOULJPQAUYZPC-LBPRGKRZSA-N -1 1 390.860 1.428 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1nc(C=Cc2ccccc2)cs1 ZINC000823136302 607218555 /nfs/dbraw/zinc/21/85/55/607218555.db2.gz USBNOBJQPVUTIY-SREVYHEPSA-N -1 1 379.409 1.724 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N(CC(F)F)C(C)C ZINC000822458933 607225286 /nfs/dbraw/zinc/22/52/86/607225286.db2.gz JKHDOSIWXGTYJY-UHFFFAOYSA-N -1 1 392.414 1.961 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N(CC(F)F)C(C)C ZINC000822458933 607225287 /nfs/dbraw/zinc/22/52/87/607225287.db2.gz JKHDOSIWXGTYJY-UHFFFAOYSA-N -1 1 392.414 1.961 20 0 GDADMM O=S(=O)(N[C@H]1CC[C@H](O)CC1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826492452 607812460 /nfs/dbraw/zinc/81/24/60/607812460.db2.gz LQMSQKIFMIRMTM-MGCOHNPYSA-N -1 1 391.375 1.467 20 0 GDADMM CC(=O)c1ccc2c(c1)CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC000824029118 607906537 /nfs/dbraw/zinc/90/65/37/607906537.db2.gz DSEWEHVUFDRIDJ-UHFFFAOYSA-N -1 1 398.448 1.254 20 0 GDADMM CC(=O)c1ccc2c(c1)CCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC000824029118 607906538 /nfs/dbraw/zinc/90/65/38/607906538.db2.gz DSEWEHVUFDRIDJ-UHFFFAOYSA-N -1 1 398.448 1.254 20 0 GDADMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc(-c3nn[nH]n3)cc2C)co1 ZINC000826091132 607924464 /nfs/dbraw/zinc/92/44/64/607924464.db2.gz WELCGDZZTWEKCK-UHFFFAOYSA-N -1 1 377.382 1.033 20 0 GDADMM CC1(C)CCC(NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)(C(N)=O)CC1 ZINC000824803710 607976440 /nfs/dbraw/zinc/97/64/40/607976440.db2.gz WHVIQGMHGJAWIQ-UHFFFAOYSA-N -1 1 396.448 1.108 20 0 GDADMM CC1(C)CCC(NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)(C(N)=O)CC1 ZINC000824803710 607976441 /nfs/dbraw/zinc/97/64/41/607976441.db2.gz WHVIQGMHGJAWIQ-UHFFFAOYSA-N -1 1 396.448 1.108 20 0 GDADMM Clc1ccccc1OCCN1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826354112 607988690 /nfs/dbraw/zinc/98/86/90/607988690.db2.gz QABMFTWYBZGWPR-UHFFFAOYSA-N -1 1 386.847 1.511 20 0 GDADMM Clc1ccccc1[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N1CCOCC1 ZINC000826353680 607989205 /nfs/dbraw/zinc/98/92/05/607989205.db2.gz ZONPOXKBEFHHKK-OAHLLOKOSA-N -1 1 386.847 1.796 20 0 GDADMM Clc1ccccc1[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N1CCOCC1 ZINC000826353680 607989206 /nfs/dbraw/zinc/98/92/06/607989206.db2.gz ZONPOXKBEFHHKK-OAHLLOKOSA-N -1 1 386.847 1.796 20 0 GDADMM Cc1oc(NC(=O)CN2CC[C@H](C(N)=O)c3ccccc32)c(-c2nn[n-]n2)c1C ZINC000826342062 607993538 /nfs/dbraw/zinc/99/35/38/607993538.db2.gz XAZQXLCTHVJMCV-ZDUSSCGKSA-N -1 1 395.423 1.494 20 0 GDADMM CN1C(=O)C[C@H](C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])[C@H]1c1cccnc1 ZINC000826010040 607997469 /nfs/dbraw/zinc/99/74/69/607997469.db2.gz BFPWFOVFFCIUGU-BLLLJJGKSA-N -1 1 379.380 1.125 20 0 GDADMM O=C(CNC(=O)NCc1ccc(F)cc1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826411973 607998578 /nfs/dbraw/zinc/99/85/78/607998578.db2.gz WEXCGLHDTHKAGB-UHFFFAOYSA-N -1 1 385.359 1.149 20 0 GDADMM Cc1ccc(CNC(=O)c2nnc(Cn3ccnc3-c3nnn[n-]3)s2)cc1 ZINC000826288372 608013515 /nfs/dbraw/zinc/01/35/15/608013515.db2.gz DGZXZGWSGJXGED-UHFFFAOYSA-N -1 1 381.425 1.201 20 0 GDADMM Cc1ccc(CNC(=O)c2nnc(Cn3ccnc3-c3nn[n-]n3)s2)cc1 ZINC000826288372 608013516 /nfs/dbraw/zinc/01/35/16/608013516.db2.gz DGZXZGWSGJXGED-UHFFFAOYSA-N -1 1 381.425 1.201 20 0 GDADMM Cc1nncn1-c1cccc([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000826338262 608059482 /nfs/dbraw/zinc/05/94/82/608059482.db2.gz PLZORRWNQFTMTC-UHFFFAOYSA-N -1 1 382.409 1.557 20 0 GDADMM CC(C)(C)[C@H]1C[C@@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCO1 ZINC000824079871 608111493 /nfs/dbraw/zinc/11/14/93/608111493.db2.gz RMAOSSSRBVDTOD-SMDDNHRTSA-N -1 1 383.449 1.878 20 0 GDADMM COc1ccccc1OC[C@@H](C)CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000826220139 608118969 /nfs/dbraw/zinc/11/89/69/608118969.db2.gz DCXJGQHIFJYPFM-NSHDSACASA-N -1 1 386.416 1.445 20 0 GDADMM COc1ccccc1OC[C@@H](C)CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000826220139 608118970 /nfs/dbraw/zinc/11/89/70/608118970.db2.gz DCXJGQHIFJYPFM-NSHDSACASA-N -1 1 386.416 1.445 20 0 GDADMM COc1ccccc1[C@@H]1CCCCN1c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000826219233 608124201 /nfs/dbraw/zinc/12/42/01/608124201.db2.gz WIJKLFSOZPUPII-ZDUSSCGKSA-N -1 1 397.439 1.004 20 0 GDADMM O=C(Cn1ccnc1-c1nnn[n-]1)c1ccc(I)cc1 ZINC000826424786 608147553 /nfs/dbraw/zinc/14/75/53/608147553.db2.gz CUONKKFZBKSECT-UHFFFAOYSA-N -1 1 380.149 1.551 20 0 GDADMM O=C(Cn1ccnc1-c1nn[n-]n1)c1ccc(I)cc1 ZINC000826424786 608147555 /nfs/dbraw/zinc/14/75/55/608147555.db2.gz CUONKKFZBKSECT-UHFFFAOYSA-N -1 1 380.149 1.551 20 0 GDADMM O=S(=O)(N[C@H]1CCO[C@]2(CCOC2)C1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826489794 608159550 /nfs/dbraw/zinc/15/95/50/608159550.db2.gz ZTMMDCATSKYMOO-ZUZCIYMTSA-N -1 1 399.860 1.137 20 0 GDADMM O=S(=O)(N[C@H]1CCO[C@]2(CCOC2)C1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826489794 608159554 /nfs/dbraw/zinc/15/95/54/608159554.db2.gz ZTMMDCATSKYMOO-ZUZCIYMTSA-N -1 1 399.860 1.137 20 0 GDADMM O=C(N[C@H](CO)c1ccc(Br)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826426684 608184819 /nfs/dbraw/zinc/18/48/19/608184819.db2.gz UFDICKDZBKQVNZ-CYBMUJFWSA-N -1 1 389.213 1.488 20 0 GDADMM O=C(N[C@H](CO)c1ccc(Br)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826426684 608184821 /nfs/dbraw/zinc/18/48/21/608184821.db2.gz UFDICKDZBKQVNZ-CYBMUJFWSA-N -1 1 389.213 1.488 20 0 GDADMM CN(C[C@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)CCO1)c1cccnn1 ZINC000825914589 608192612 /nfs/dbraw/zinc/19/26/12/608192612.db2.gz KWBBTHQIRRUNBT-VIFPVBQESA-N -1 1 393.864 1.108 20 0 GDADMM CN(C[C@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)CCO1)c1cccnn1 ZINC000825914589 608192613 /nfs/dbraw/zinc/19/26/13/608192613.db2.gz KWBBTHQIRRUNBT-VIFPVBQESA-N -1 1 393.864 1.108 20 0 GDADMM CC1N=NC(=S)N1c1cccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000826336654 608208502 /nfs/dbraw/zinc/20/85/02/608208502.db2.gz HUSGIRMAACKKMR-UHFFFAOYSA-N -1 1 379.409 1.692 20 0 GDADMM CC1N=NC(=S)N1c1cccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000826336654 608208504 /nfs/dbraw/zinc/20/85/04/608208504.db2.gz HUSGIRMAACKKMR-UHFFFAOYSA-N -1 1 379.409 1.692 20 0 GDADMM Cc1ccc2oc(C(=O)N(C)CCCc3[nH]nc(N)c3-c3nnn[n-]3)cc2c1 ZINC000826295714 608212331 /nfs/dbraw/zinc/21/23/31/608212331.db2.gz UVUNIAOAIKWEJN-UHFFFAOYSA-N -1 1 380.412 1.931 20 0 GDADMM Cc1ccc2oc(C(=O)N(C)CCCc3[nH]nc(N)c3-c3nn[n-]n3)cc2c1 ZINC000826295714 608212332 /nfs/dbraw/zinc/21/23/32/608212332.db2.gz UVUNIAOAIKWEJN-UHFFFAOYSA-N -1 1 380.412 1.931 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@@]1(C)CCCc2ccccc21 ZINC000825923289 608212845 /nfs/dbraw/zinc/21/28/45/608212845.db2.gz FSWWRAIWOLEDHW-FQEVSTJZSA-N -1 1 394.483 1.857 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@@]1(C)CCCc2ccccc21 ZINC000825923289 608212846 /nfs/dbraw/zinc/21/28/46/608212846.db2.gz FSWWRAIWOLEDHW-FQEVSTJZSA-N -1 1 394.483 1.857 20 0 GDADMM C[C@H](C(N)=O)N(C)C(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000824052561 608271925 /nfs/dbraw/zinc/27/19/25/608271925.db2.gz PLNGGCUJUHFWSL-SNVBAGLBSA-N -1 1 384.371 1.744 20 0 GDADMM C[C@H](C(N)=O)N(C)C(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000824052561 608271926 /nfs/dbraw/zinc/27/19/26/608271926.db2.gz PLNGGCUJUHFWSL-SNVBAGLBSA-N -1 1 384.371 1.744 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000826494810 608305971 /nfs/dbraw/zinc/30/59/71/608305971.db2.gz QGALWVUEKHPOFO-QWHCGFSZSA-N -1 1 378.458 1.089 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000826494810 608305972 /nfs/dbraw/zinc/30/59/72/608305972.db2.gz QGALWVUEKHPOFO-QWHCGFSZSA-N -1 1 378.458 1.089 20 0 GDADMM C[C@@H]1CCC[C@H](CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000824926652 608349694 /nfs/dbraw/zinc/34/96/94/608349694.db2.gz KQQYEXFDYPBABZ-NEPJUHHUSA-N -1 1 388.476 1.699 20 0 GDADMM C[C@@H]1CCC[C@H](CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000824926652 608349696 /nfs/dbraw/zinc/34/96/96/608349696.db2.gz KQQYEXFDYPBABZ-NEPJUHHUSA-N -1 1 388.476 1.699 20 0 GDADMM O=[S@@](Cc1cccc(Nc2ccc(-c3nnn[n-]3)nn2)c1)C1CCOCC1 ZINC000826496162 608419993 /nfs/dbraw/zinc/41/99/93/608419993.db2.gz MZJJCLUGOFVVTI-MHZLTWQESA-N -1 1 385.453 1.828 20 0 GDADMM O=[S@@](Cc1cccc(Nc2ccc(-c3nn[n-]n3)nn2)c1)C1CCOCC1 ZINC000826496162 608419994 /nfs/dbraw/zinc/41/99/94/608419994.db2.gz MZJJCLUGOFVVTI-MHZLTWQESA-N -1 1 385.453 1.828 20 0 GDADMM FC(F)Oc1ccc([C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CCO2)cc1 ZINC000826369901 608441512 /nfs/dbraw/zinc/44/15/12/608441512.db2.gz VEJVSTQSMLOIMM-ZDUSSCGKSA-N -1 1 375.339 1.836 20 0 GDADMM FC(F)Oc1ccc([C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CCO2)cc1 ZINC000826369901 608441513 /nfs/dbraw/zinc/44/15/13/608441513.db2.gz VEJVSTQSMLOIMM-ZDUSSCGKSA-N -1 1 375.339 1.836 20 0 GDADMM CCOCCC1(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CCCC1 ZINC000825590278 608556020 /nfs/dbraw/zinc/55/60/20/608556020.db2.gz SDJAURFRCAJNJR-UHFFFAOYSA-N -1 1 390.492 1.550 20 0 GDADMM CCOCCC1(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CCCC1 ZINC000825590278 608556022 /nfs/dbraw/zinc/55/60/22/608556022.db2.gz SDJAURFRCAJNJR-UHFFFAOYSA-N -1 1 390.492 1.550 20 0 GDADMM Cc1ccccc1C1(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CC1 ZINC000826305670 608558563 /nfs/dbraw/zinc/55/85/63/608558563.db2.gz FBFGAPHMNKVABU-UHFFFAOYSA-N -1 1 380.456 1.603 20 0 GDADMM Cc1ccccc1C1(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CC1 ZINC000826305670 608558565 /nfs/dbraw/zinc/55/85/65/608558565.db2.gz FBFGAPHMNKVABU-UHFFFAOYSA-N -1 1 380.456 1.603 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CCc1cc(Cl)cs1 ZINC000825923582 608560165 /nfs/dbraw/zinc/56/01/65/608560165.db2.gz NAJMZIQAGHRERS-UHFFFAOYSA-N -1 1 394.892 1.911 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CCc1cc(Cl)cs1 ZINC000825923582 608560167 /nfs/dbraw/zinc/56/01/67/608560167.db2.gz NAJMZIQAGHRERS-UHFFFAOYSA-N -1 1 394.892 1.911 20 0 GDADMM Cc1oc(NC(=O)COC(=O)c2ccnc(Cl)c2N)c(-c2nn[n-]n2)c1C ZINC000826342479 608564372 /nfs/dbraw/zinc/56/43/72/608564372.db2.gz MGCDQRQTPCIQGD-UHFFFAOYSA-N -1 1 391.775 1.503 20 0 GDADMM Cn1cnc(CNC(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)n1 ZINC000826364819 608583010 /nfs/dbraw/zinc/58/30/10/608583010.db2.gz MTJAHQYYFDVRMX-UHFFFAOYSA-N -1 1 395.452 1.723 20 0 GDADMM CCN(C[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1)c1cccnn1 ZINC000825419230 608739770 /nfs/dbraw/zinc/73/97/70/608739770.db2.gz LVXPTHTZBRNYME-ZDUSSCGKSA-N -1 1 386.485 1.446 20 0 GDADMM O=S(=O)(NCCSCC(F)(F)F)c1cccc(F)c1-c1nnn[n-]1 ZINC000826491703 608757348 /nfs/dbraw/zinc/75/73/48/608757348.db2.gz WXHSUZDTVCNNQJ-UHFFFAOYSA-N -1 1 385.368 1.580 20 0 GDADMM O=S(=O)(NCCSCC(F)(F)F)c1cccc(F)c1-c1nn[n-]n1 ZINC000826491703 608757349 /nfs/dbraw/zinc/75/73/49/608757349.db2.gz WXHSUZDTVCNNQJ-UHFFFAOYSA-N -1 1 385.368 1.580 20 0 GDADMM COC(=O)[C@H](OC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)C1CC1 ZINC000826116991 608846855 /nfs/dbraw/zinc/84/68/55/608846855.db2.gz GIFPAKJIYMTXKM-CQSZACIVSA-N -1 1 375.385 1.012 20 0 GDADMM CCc1nn(Cc2ncn(-c3ccccc3)n2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000825763376 608885651 /nfs/dbraw/zinc/88/56/51/608885651.db2.gz WIMVMGCAECKOML-UHFFFAOYSA-N -1 1 377.412 1.177 20 0 GDADMM CN(C)c1ccccc1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825929123 609153491 /nfs/dbraw/zinc/15/34/91/609153491.db2.gz BAOHITICPJZQHD-UHFFFAOYSA-N -1 1 384.448 1.335 20 0 GDADMM CN(C)c1ccccc1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825929123 609153493 /nfs/dbraw/zinc/15/34/93/609153493.db2.gz BAOHITICPJZQHD-UHFFFAOYSA-N -1 1 384.448 1.335 20 0 GDADMM CCC(=O)c1cccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000825038391 609159553 /nfs/dbraw/zinc/15/95/53/609159553.db2.gz AMZCVKKWTVFTLI-UHFFFAOYSA-N -1 1 397.443 1.861 20 0 GDADMM CCC(=O)c1cccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000825038391 609159555 /nfs/dbraw/zinc/15/95/55/609159555.db2.gz AMZCVKKWTVFTLI-UHFFFAOYSA-N -1 1 397.443 1.861 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000825930353 609162633 /nfs/dbraw/zinc/16/26/33/609162633.db2.gz UIAOAOHUCNUSQK-UHFFFAOYSA-N -1 1 396.459 1.261 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000825930353 609162635 /nfs/dbraw/zinc/16/26/35/609162635.db2.gz UIAOAOHUCNUSQK-UHFFFAOYSA-N -1 1 396.459 1.261 20 0 GDADMM CC[C@H](C)Oc1cc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)ccn1 ZINC000825076671 609261148 /nfs/dbraw/zinc/26/11/48/609261148.db2.gz XJZBFZHUDFIAFS-NSHDSACASA-N -1 1 399.459 1.449 20 0 GDADMM CC[C@H](C)Oc1cc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)ccn1 ZINC000825076671 609261150 /nfs/dbraw/zinc/26/11/50/609261150.db2.gz XJZBFZHUDFIAFS-NSHDSACASA-N -1 1 399.459 1.449 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000826328633 609264715 /nfs/dbraw/zinc/26/47/15/609264715.db2.gz YCDZJDFLUDYSKZ-PHIMTYICSA-N -1 1 384.444 1.095 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000826328633 609264716 /nfs/dbraw/zinc/26/47/16/609264716.db2.gz YCDZJDFLUDYSKZ-PHIMTYICSA-N -1 1 384.444 1.095 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@H](OC(F)F)C1 ZINC000826233235 609292211 /nfs/dbraw/zinc/29/22/11/609292211.db2.gz YYJVOSXAPGZYPM-NSHDSACASA-N -1 1 396.398 1.747 20 0 GDADMM C[C@@]1(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)CCCOC1 ZINC000824784231 609294022 /nfs/dbraw/zinc/29/40/22/609294022.db2.gz PIYUASITSRJDNQ-GOSISDBHSA-N -1 1 387.444 1.197 20 0 GDADMM Cc1nscc1C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000826340470 609294693 /nfs/dbraw/zinc/29/46/93/609294693.db2.gz ZTIOEMWAFQPKIJ-UHFFFAOYSA-N -1 1 386.441 1.459 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@H]1CCc2cc(F)ccc21 ZINC000825930339 609301128 /nfs/dbraw/zinc/30/11/28/609301128.db2.gz TXNPKCSAFPFXJB-ZDUSSCGKSA-N -1 1 399.434 1.573 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@H]1CCc2cc(F)ccc21 ZINC000825930339 609301130 /nfs/dbraw/zinc/30/11/30/609301130.db2.gz TXNPKCSAFPFXJB-ZDUSSCGKSA-N -1 1 399.434 1.573 20 0 GDADMM Cc1nn(C)c(N(C)C)c1CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826334460 609320320 /nfs/dbraw/zinc/32/03/20/609320320.db2.gz VUWHFBBEUXSIKC-UHFFFAOYSA-N -1 1 396.434 1.912 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C(=O)NC1CCCCC1 ZINC000826458627 609354919 /nfs/dbraw/zinc/35/49/19/609354919.db2.gz YRRSNXMZOKFGTF-UHFFFAOYSA-N -1 1 398.402 1.579 20 0 GDADMM O=C(NC[C@H]1CCCCO1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826435780 609357427 /nfs/dbraw/zinc/35/74/27/609357427.db2.gz XMFVTJHXNJLBQG-LLVKDONJSA-N -1 1 386.391 1.882 20 0 GDADMM C[C@H]1CN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C[C@H](C)O1 ZINC000824977807 609358011 /nfs/dbraw/zinc/35/80/11/609358011.db2.gz SGELLLLESBZMEG-QWRGUYRKSA-N -1 1 386.391 1.833 20 0 GDADMM C[C@](O)(CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C1CC1 ZINC000824670613 609360808 /nfs/dbraw/zinc/36/08/08/609360808.db2.gz SJPVCKQDQLTMHB-KRWDZBQOSA-N -1 1 386.391 1.474 20 0 GDADMM CN(Cc1nccn1C)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825999120 609361232 /nfs/dbraw/zinc/36/12/32/609361232.db2.gz MLYLCTGCXVIPOK-UHFFFAOYSA-N -1 1 396.390 1.589 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N1CCOC[C@H]1C1CC1 ZINC000826458092 609364182 /nfs/dbraw/zinc/36/41/82/609364182.db2.gz CEYAJIVXXAHGMA-AWEZNQCLSA-N -1 1 398.402 1.834 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C(=O)N1C[C@H]2CCC[C@H]21 ZINC000826458645 609369333 /nfs/dbraw/zinc/36/93/33/609369333.db2.gz ZEQDQMYBYSCUSP-ZYHUDNBSSA-N -1 1 396.386 1.141 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(C)C[C@H]1CCCC[C@@H]1O ZINC000826232664 609403325 /nfs/dbraw/zinc/40/33/25/609403325.db2.gz CGZUPXVERRCGIA-HIFRSBDPSA-N -1 1 388.472 1.526 20 0 GDADMM CC(C)[C@H]1C[C@H](CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CCO1 ZINC000824216366 609415532 /nfs/dbraw/zinc/41/55/32/609415532.db2.gz QFVGQRJXQVNJJN-TZMCWYRMSA-N -1 1 390.492 1.404 20 0 GDADMM CC(C)[C@H]1C[C@H](CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CCO1 ZINC000824216366 609415536 /nfs/dbraw/zinc/41/55/36/609415536.db2.gz QFVGQRJXQVNJJN-TZMCWYRMSA-N -1 1 390.492 1.404 20 0 GDADMM O=S(=O)([N-]c1ccn(-c2ccc(Cl)cc2-c2nn[nH]n2)n1)N1CCCC1 ZINC000826493075 609458020 /nfs/dbraw/zinc/45/80/20/609458020.db2.gz RZWMQBYQSUMDGU-UHFFFAOYSA-N -1 1 394.848 1.458 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H](O)[C@H](O)c1nc2ccccc2s1 ZINC000826450896 609467604 /nfs/dbraw/zinc/46/76/04/609467604.db2.gz IGDUDBMGUBRAOS-KBPBESRZSA-N -1 1 398.404 1.215 20 0 GDADMM Cc1onc(CC(=O)NC[C@H](NC(=O)OC(C)(C)C)C2CC2)c1-c1nnn[n-]1 ZINC000826346326 609469681 /nfs/dbraw/zinc/46/96/81/609469681.db2.gz JPYMMKZMMLBCEY-LBPRGKRZSA-N -1 1 391.432 1.125 20 0 GDADMM Cc1onc(CC(=O)NC[C@H](NC(=O)OC(C)(C)C)C2CC2)c1-c1nn[n-]n1 ZINC000826346326 609469682 /nfs/dbraw/zinc/46/96/82/609469682.db2.gz JPYMMKZMMLBCEY-LBPRGKRZSA-N -1 1 391.432 1.125 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCSCc2ccnc(Cl)c2)n1 ZINC000826357050 609495337 /nfs/dbraw/zinc/49/53/37/609495337.db2.gz PEHKFPVGPWDLBN-UHFFFAOYSA-N -1 1 393.864 1.704 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCSCc2ccnc(Cl)c2)n1 ZINC000826357050 609495339 /nfs/dbraw/zinc/49/53/39/609495339.db2.gz PEHKFPVGPWDLBN-UHFFFAOYSA-N -1 1 393.864 1.704 20 0 GDADMM CC(C)Cn1ccnc1CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824280386 609496520 /nfs/dbraw/zinc/49/65/20/609496520.db2.gz LPLXVGRRZJANFW-UHFFFAOYSA-N -1 1 395.876 1.851 20 0 GDADMM CC(C)Cn1ccnc1CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824280386 609496523 /nfs/dbraw/zinc/49/65/23/609496523.db2.gz LPLXVGRRZJANFW-UHFFFAOYSA-N -1 1 395.876 1.851 20 0 GDADMM CC(C)c1nc([C@@H]2COCCN2C(=O)c2ccc(-c3nnn[n-]3)s2)no1 ZINC000824358718 609502168 /nfs/dbraw/zinc/50/21/68/609502168.db2.gz OUFNIRRCRYQHKU-VIFPVBQESA-N -1 1 375.414 1.648 20 0 GDADMM CC(C)c1nc([C@@H]2COCCN2C(=O)c2ccc(-c3nn[n-]n3)s2)no1 ZINC000824358718 609502170 /nfs/dbraw/zinc/50/21/70/609502170.db2.gz OUFNIRRCRYQHKU-VIFPVBQESA-N -1 1 375.414 1.648 20 0 GDADMM CS(=O)(=O)CCc1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000533464373 650053325 /nfs/dbraw/zinc/05/33/25/650053325.db2.gz UGWIACUOFHJNBX-UHFFFAOYSA-N -1 1 389.476 1.834 20 0 GDADMM CCOc1cc(C(=O)N2CCC(NS(=O)(=O)NC)CC2)cc(Cl)c1[O-] ZINC000537717918 650299663 /nfs/dbraw/zinc/29/96/63/650299663.db2.gz ARDPIHPZZKCGPI-UHFFFAOYSA-N -1 1 391.877 1.103 20 0 GDADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)c(F)c2)c(C)c1 ZINC000538938188 650325861 /nfs/dbraw/zinc/32/58/61/650325861.db2.gz DWPTXKQKNRJOOY-UHFFFAOYSA-N -1 1 388.442 1.899 20 0 GDADMM C[C@@H](CNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)c1nccs1 ZINC000543671500 650426538 /nfs/dbraw/zinc/42/65/38/650426538.db2.gz LGEFIWUBALRJNX-VIFPVBQESA-N -1 1 393.487 1.736 20 0 GDADMM C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000544687222 650444298 /nfs/dbraw/zinc/44/42/98/650444298.db2.gz SXLLZKMSDZPCDL-VIFPVBQESA-N -1 1 376.214 1.541 20 0 GDADMM CCOC(=O)[C@@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000545350721 650454669 /nfs/dbraw/zinc/45/46/69/650454669.db2.gz AYDDXOONCSWRPK-HUUCEWRRSA-N -1 1 375.874 1.913 20 0 GDADMM O=C1C[C@H](c2noc(C[N-]S(=O)(=O)c3cccs3)n2)CN1CC1CC1 ZINC000545800089 650461926 /nfs/dbraw/zinc/46/19/26/650461926.db2.gz CGEUFQHYAUSVBJ-NSHDSACASA-N -1 1 382.467 1.336 20 0 GDADMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)[C@@H]1Cc2ccccc2S1 ZINC000545957574 650467151 /nfs/dbraw/zinc/46/71/51/650467151.db2.gz DXVKSTPQGRNFSU-LBPRGKRZSA-N -1 1 399.519 1.269 20 0 GDADMM Cn1cc(S(=O)(=O)[N-]Cc2ccc(C[S@](C)=O)cc2)c(C(F)(F)F)n1 ZINC000549825469 650584264 /nfs/dbraw/zinc/58/42/64/650584264.db2.gz VITFBWXYKTWHPA-DEOSSOPVSA-N -1 1 395.428 1.796 20 0 GDADMM Cc1nc(CS(=O)(=O)c2nc(-c3ccc4c(c3)OCCO4)n[n-]2)cs1 ZINC000550006330 650587360 /nfs/dbraw/zinc/58/73/60/650587360.db2.gz VXCWPVIAJDOVBR-UHFFFAOYSA-N -1 1 378.435 1.982 20 0 GDADMM Cc1nc(CS(=O)(=O)c2n[n-]c(-c3ccc4c(c3)OCCO4)n2)cs1 ZINC000550006330 650587365 /nfs/dbraw/zinc/58/73/65/650587365.db2.gz VXCWPVIAJDOVBR-UHFFFAOYSA-N -1 1 378.435 1.982 20 0 GDADMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@@H]2COc3ccc(Br)cc32)n1 ZINC000551260347 650603165 /nfs/dbraw/zinc/60/31/65/650603165.db2.gz QAMUQJODCYDCRW-MRVPVSSYSA-N -1 1 387.215 1.085 20 0 GDADMM CS(=O)(=O)c1nnc(NC(=O)[C@@H]2COc3ccc(Br)cc32)[n-]1 ZINC000551260347 650603168 /nfs/dbraw/zinc/60/31/68/650603168.db2.gz QAMUQJODCYDCRW-MRVPVSSYSA-N -1 1 387.215 1.085 20 0 GDADMM O=C([O-])C[C@H](CNS(=O)(=O)c1ccc(Br)o1)C(F)(F)F ZINC000551995530 650616134 /nfs/dbraw/zinc/61/61/34/650616134.db2.gz SJWQSHZGWYWXOK-RXMQYKEDSA-N -1 1 380.138 1.974 20 0 GDADMM C[C@H](C(=O)N1CCc2nc([N-]S(C)(=O)=O)sc2C1)N1CCCCCC1 ZINC000552548362 650629025 /nfs/dbraw/zinc/62/90/25/650629025.db2.gz SACCVMYZZBOTAN-GFCCVEGCSA-N -1 1 386.543 1.664 20 0 GDADMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)[C@H]1n1cccn1 ZINC000559199435 650730001 /nfs/dbraw/zinc/73/00/01/650730001.db2.gz CTNVTHZKHCQSCP-FIXISWKDSA-N -1 1 375.372 1.997 20 0 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945445209 /nfs/dbraw/zinc/44/52/09/945445209.db2.gz CUYRHXRSEKFYSX-ONGXEEELSA-N -1 1 385.457 1.242 20 0 GDADMM Cc1cc(C(=O)N2C[C@H](C)[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)ns1 ZINC001571262947 945445218 /nfs/dbraw/zinc/44/52/18/945445218.db2.gz CUYRHXRSEKFYSX-ONGXEEELSA-N -1 1 385.457 1.242 20 0 GDADMM Cc1nscc1C(=O)N1CCC[C@@H]1CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001571263282 945455596 /nfs/dbraw/zinc/45/55/96/945455596.db2.gz LWPRJXIOMWYNDW-LLVKDONJSA-N -1 1 385.457 1.163 20 0 GDADMM Cc1nscc1C(=O)N1CCC[C@@H]1CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001571263282 945455603 /nfs/dbraw/zinc/45/56/03/945455603.db2.gz LWPRJXIOMWYNDW-LLVKDONJSA-N -1 1 385.457 1.163 20 0 GDADMM COC(=O)C[C@@H]1CC[C@H](NS(=O)(=O)Cc2csc(-c3nn[n-]n3)c2)C1 ZINC001571263325 945455875 /nfs/dbraw/zinc/45/58/75/945455875.db2.gz MWNLSYXTLBXCQK-KOLCDFICSA-N -1 1 385.471 1.079 20 0 GDADMM O=C(Cc1cscn1)N[C@@H]1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571263366 945458217 /nfs/dbraw/zinc/45/82/17/945458217.db2.gz NYGWMJIHDLDFJY-GHMZBOCLSA-N -1 1 385.457 1.053 20 0 GDADMM O=C(Cc1cscn1)N[C@@H]1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571263366 945458221 /nfs/dbraw/zinc/45/82/21/945458221.db2.gz NYGWMJIHDLDFJY-GHMZBOCLSA-N -1 1 385.457 1.053 20 0 GDADMM O=C(Cc1cncs1)N[C@H]1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571263670 945463885 /nfs/dbraw/zinc/46/38/85/945463885.db2.gz WKFPMDWMSURZBJ-JQWIXIFHSA-N -1 1 385.457 1.053 20 0 GDADMM O=C(Cc1cncs1)N[C@H]1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571263670 945463896 /nfs/dbraw/zinc/46/38/96/945463896.db2.gz WKFPMDWMSURZBJ-JQWIXIFHSA-N -1 1 385.457 1.053 20 0 GDADMM CO[C@@H](C)C(=O)N1CC[C@@](C)(CNc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571265021 945497824 /nfs/dbraw/zinc/49/78/24/945497824.db2.gz CLQQHZIJQUDRHF-RTHLEPHNSA-N -1 1 385.881 1.662 20 0 GDADMM CO[C@@H](C)C(=O)N1CC[C@@](C)(CNc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571265021 945497830 /nfs/dbraw/zinc/49/78/30/945497830.db2.gz CLQQHZIJQUDRHF-RTHLEPHNSA-N -1 1 385.881 1.662 20 0 GDADMM CC(C)(C)C(=O)N1CCO[C@@H](CNc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571265356 945508137 /nfs/dbraw/zinc/50/81/37/945508137.db2.gz IAFAFBZVCTXYLZ-QMMMGPOBSA-N -1 1 385.881 1.662 20 0 GDADMM O=C(NCc1ccc(CNc2cncc(-c3nnn[n-]3)n2)cc1)[C@@H]1CC1(F)F ZINC001571267317 945567437 /nfs/dbraw/zinc/56/74/37/945567437.db2.gz QFYFQPVUZYVHNZ-LBPRGKRZSA-N -1 1 386.366 1.540 20 0 GDADMM O=C(NCc1ccc(CNc2cncc(-c3nn[n-]n3)n2)cc1)[C@@H]1CC1(F)F ZINC001571267317 945567442 /nfs/dbraw/zinc/56/74/42/945567442.db2.gz QFYFQPVUZYVHNZ-LBPRGKRZSA-N -1 1 386.366 1.540 20 0 GDADMM O=C(c1ccc([O-])cc1F)N1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC001571267488 945571740 /nfs/dbraw/zinc/57/17/40/945571740.db2.gz WTEOCYOFFRQDBW-UHFFFAOYSA-N -1 1 386.362 1.813 20 0 GDADMM CSc1nc(C)c(CCC(=O)NCc2cncc(-c3nn[nH]n3)c2)c(=O)[n-]1 ZINC001571270266 945633725 /nfs/dbraw/zinc/63/37/25/945633725.db2.gz ORADQWZPPGNXGU-UHFFFAOYSA-N -1 1 386.441 1.037 20 0 GDADMM CN(C(=O)C[C@H]1CCOC1)C1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001571272433 945661762 /nfs/dbraw/zinc/66/17/62/945661762.db2.gz DOLIZCNPWAYSNK-IYXRBSQSSA-N -1 1 386.460 1.265 20 0 GDADMM CN(C(=O)C[C@H]1CCOC1)C1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001571272433 945661767 /nfs/dbraw/zinc/66/17/67/945661767.db2.gz DOLIZCNPWAYSNK-IYXRBSQSSA-N -1 1 386.460 1.265 20 0 GDADMM O=C(COC1CCCC1)N1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571272826 945671188 /nfs/dbraw/zinc/67/11/88/945671188.db2.gz JCJBOQZWKLUYIW-CYBMUJFWSA-N -1 1 386.460 1.409 20 0 GDADMM O=C(COC1CCCC1)N1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571272826 945671191 /nfs/dbraw/zinc/67/11/91/945671191.db2.gz JCJBOQZWKLUYIW-CYBMUJFWSA-N -1 1 386.460 1.409 20 0 GDADMM CO[C@@H](C(=O)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1)C1CCCC1 ZINC001571272820 945671245 /nfs/dbraw/zinc/67/12/45/945671245.db2.gz JAUHMVZTFFIGGE-SWLSCSKDSA-N -1 1 386.460 1.122 20 0 GDADMM CO[C@@H](C(=O)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1)C1CCCC1 ZINC001571272820 945671249 /nfs/dbraw/zinc/67/12/49/945671249.db2.gz JAUHMVZTFFIGGE-SWLSCSKDSA-N -1 1 386.460 1.122 20 0 GDADMM CO[C@@H](C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)C1CCCCC1 ZINC001571272836 945671712 /nfs/dbraw/zinc/67/17/12/945671712.db2.gz JFMZFDDBBDEPCY-UKRRQHHQSA-N -1 1 386.460 1.265 20 0 GDADMM CO[C@@H](C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)C1CCCCC1 ZINC001571272836 945671717 /nfs/dbraw/zinc/67/17/17/945671717.db2.gz JFMZFDDBBDEPCY-UKRRQHHQSA-N -1 1 386.460 1.265 20 0 GDADMM Cn1cc([C@@H](NC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)C(F)(F)F)cn1 ZINC001571275619 945710812 /nfs/dbraw/zinc/71/08/12/945710812.db2.gz YWHACHQYMDVHPP-LLVKDONJSA-N -1 1 387.272 1.912 20 0 GDADMM Cn1cc([C@@H](NC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)C(F)(F)F)cn1 ZINC001571275619 945710815 /nfs/dbraw/zinc/71/08/15/945710815.db2.gz YWHACHQYMDVHPP-LLVKDONJSA-N -1 1 387.272 1.912 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)[C@H]1CCCCO1 ZINC001571275886 945719044 /nfs/dbraw/zinc/71/90/44/945719044.db2.gz DYBVZZVFVQBAKT-YRGRVCCFSA-N -1 1 386.460 1.311 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)[C@H]1CCCCO1 ZINC001571275886 945719050 /nfs/dbraw/zinc/71/90/50/945719050.db2.gz DYBVZZVFVQBAKT-YRGRVCCFSA-N -1 1 386.460 1.311 20 0 GDADMM CCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCN(C(=O)[C@@H]2CO[C@H](C)C2)CC1 ZINC001571276098 945724699 /nfs/dbraw/zinc/72/46/99/945724699.db2.gz HDLVMDLLHJGDFC-OLZOCXBDSA-N -1 1 386.460 1.265 20 0 GDADMM CCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCN(C(=O)[C@@H]2CO[C@H](C)C2)CC1 ZINC001571276098 945724706 /nfs/dbraw/zinc/72/47/06/945724706.db2.gz HDLVMDLLHJGDFC-OLZOCXBDSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)CC1)[C@H]1CCCO1 ZINC001571279640 945783737 /nfs/dbraw/zinc/78/37/37/945783737.db2.gz XHBBCQWQBZKBKS-PWNZVWSESA-N -1 1 386.460 1.311 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)CC1)[C@H]1CCCO1 ZINC001571279640 945783746 /nfs/dbraw/zinc/78/37/46/945783746.db2.gz XHBBCQWQBZKBKS-PWNZVWSESA-N -1 1 386.460 1.311 20 0 GDADMM Cc1nsc(N(C)[C@@H]2CCN(C(=O)c3cnn(C)c3C)C2)c1-c1nn[n-]n1 ZINC001571281068 945798805 /nfs/dbraw/zinc/79/88/05/945798805.db2.gz BXSFIOTYGKYDQD-LLVKDONJSA-N -1 1 387.473 1.024 20 0 GDADMM Cc1nsc(N2CCC[C@@H](CNC(=O)c3cn(C)cn3)C2)c1-c1nn[n-]n1 ZINC001571281205 945801208 /nfs/dbraw/zinc/80/12/08/945801208.db2.gz FGQMYXHBVAKBMP-NSHDSACASA-N -1 1 387.473 1.012 20 0 GDADMM Cc1c[nH]nc1C(=O)N1CCC[C@@H](N(C)c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571281626 945807617 /nfs/dbraw/zinc/80/76/17/945807617.db2.gz KGGRHGSYMDKWPE-LLVKDONJSA-N -1 1 387.473 1.404 20 0 GDADMM CCc1nc[nH]c1C(=O)NC[C@H]1CCCN1c1snc(C)c1-c1nn[n-]n1 ZINC001571281642 945810743 /nfs/dbraw/zinc/81/07/43/945810743.db2.gz KNHVNSDYBXCJLQ-SNVBAGLBSA-N -1 1 387.473 1.316 20 0 GDADMM Cn1cc(Cl)cc1C(=O)NCC1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571285996 945932950 /nfs/dbraw/zinc/93/29/50/945932950.db2.gz UMKVUDFPCXDYHJ-UHFFFAOYSA-N -1 1 387.835 1.269 20 0 GDADMM Cn1cc(Cl)cc1C(=O)NCC1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571285996 945932953 /nfs/dbraw/zinc/93/29/53/945932953.db2.gz UMKVUDFPCXDYHJ-UHFFFAOYSA-N -1 1 387.835 1.269 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H]3CN(C(=O)C(C)(C)F)CC[C@H]32)n1 ZINC001571289492 946006755 /nfs/dbraw/zinc/00/67/55/946006755.db2.gz FVIXQXKAOBRXRN-WCQYABFASA-N -1 1 388.451 1.394 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H]3CN(C(=O)C(C)(C)F)CC[C@H]32)n1 ZINC001571289492 946006762 /nfs/dbraw/zinc/00/67/62/946006762.db2.gz FVIXQXKAOBRXRN-WCQYABFASA-N -1 1 388.451 1.394 20 0 GDADMM CCC(C)(CC)C(=O)N1CCCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571289560 946010500 /nfs/dbraw/zinc/01/05/00/946010500.db2.gz HNOQSBWTPROOEN-CYBMUJFWSA-N -1 1 388.476 1.512 20 0 GDADMM CCC(C)(CC)C(=O)N1CCCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571289560 946010508 /nfs/dbraw/zinc/01/05/08/946010508.db2.gz HNOQSBWTPROOEN-CYBMUJFWSA-N -1 1 388.476 1.512 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(F)CCCC2)[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571289728 946014716 /nfs/dbraw/zinc/01/47/16/946014716.db2.gz LIDVHCQBUBOZSP-OLZOCXBDSA-N -1 1 388.451 1.978 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(F)CCCC2)[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571289728 946014728 /nfs/dbraw/zinc/01/47/28/946014728.db2.gz LIDVHCQBUBOZSP-OLZOCXBDSA-N -1 1 388.451 1.978 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@](CO)(Nc2cncc(-c3nnn[n-]3)n2)C1)C(C)(C)C ZINC001571289948 946024122 /nfs/dbraw/zinc/02/41/22/946024122.db2.gz QKQPKEDHKOLRNF-KZULUSFZSA-N -1 1 388.476 1.104 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@](CO)(Nc2cncc(-c3nn[n-]n3)n2)C1)C(C)(C)C ZINC001571289948 946024131 /nfs/dbraw/zinc/02/41/31/946024131.db2.gz QKQPKEDHKOLRNF-KZULUSFZSA-N -1 1 388.476 1.104 20 0 GDADMM Cc1ncc(CC(=O)N2C[C@H](Nc3snc(C)c3-c3nn[n-]n3)[C@@H](C)C2)o1 ZINC001571290247 946036509 /nfs/dbraw/zinc/03/65/09/946036509.db2.gz YLIZALOSXZNJQF-UFBFGSQYSA-N -1 1 388.457 1.430 20 0 GDADMM Cc1ncc(CC(=O)N2C[C@@H](C)[C@@H](Nc3snc(C)c3-c3nn[n-]n3)C2)o1 ZINC001571290244 946036600 /nfs/dbraw/zinc/03/66/00/946036600.db2.gz YLIZALOSXZNJQF-PELKAZGASA-N -1 1 388.457 1.430 20 0 GDADMM O=C(NN1CCc2ccccc2C1)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001571290315 946038327 /nfs/dbraw/zinc/03/83/27/946038327.db2.gz AJJPDBRBZXGOFZ-UHFFFAOYSA-N -1 1 389.341 1.984 20 0 GDADMM O=C(Cn1c2c(cc(-c3nn[n-]n3)c1=O)CCC2)Nc1ccc(F)c(Cl)c1 ZINC001571290533 946044053 /nfs/dbraw/zinc/04/40/53/946044053.db2.gz IEKNPRGCVOVDHK-UHFFFAOYSA-N -1 1 388.790 1.948 20 0 GDADMM O=C(N[C@@H]1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1)c1ccc(Cl)o1 ZINC001571290592 946046498 /nfs/dbraw/zinc/04/64/98/946046498.db2.gz JNNSUECMSCDRQQ-VHSXEESVSA-N -1 1 388.819 1.914 20 0 GDADMM O=C(N[C@@H]1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1)c1ccc(Cl)o1 ZINC001571290592 946046514 /nfs/dbraw/zinc/04/65/14/946046514.db2.gz JNNSUECMSCDRQQ-VHSXEESVSA-N -1 1 388.819 1.914 20 0 GDADMM C[C@@H]1CN(C(=O)c2occc2Cl)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571290578 946047852 /nfs/dbraw/zinc/04/78/52/946047852.db2.gz JFFSTZHSKBYCLH-NXEZZACHSA-N -1 1 388.819 1.723 20 0 GDADMM C[C@@H]1CN(C(=O)c2occc2Cl)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571290578 946047865 /nfs/dbraw/zinc/04/78/65/946047865.db2.gz JFFSTZHSKBYCLH-NXEZZACHSA-N -1 1 388.819 1.723 20 0 GDADMM O=C(N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccc(F)cc1Cl ZINC001571290797 946056503 /nfs/dbraw/zinc/05/65/03/946056503.db2.gz PIYBKMKIUGTFIS-JTQLQIEISA-N -1 1 388.794 1.458 20 0 GDADMM O=C(N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccc(F)cc1Cl ZINC001571290797 946056513 /nfs/dbraw/zinc/05/65/13/946056513.db2.gz PIYBKMKIUGTFIS-JTQLQIEISA-N -1 1 388.794 1.458 20 0 GDADMM O=C(c1cc(Cl)ccc1F)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571290905 946061169 /nfs/dbraw/zinc/06/11/69/946061169.db2.gz UEHWZOGDBTZDIT-SNVBAGLBSA-N -1 1 388.794 1.776 20 0 GDADMM O=C(c1cc(Cl)ccc1F)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571290905 946061185 /nfs/dbraw/zinc/06/11/85/946061185.db2.gz UEHWZOGDBTZDIT-SNVBAGLBSA-N -1 1 388.794 1.776 20 0 GDADMM O=S(=O)(N[C@@H]1C[C@@H]2CC[C@H]1O2)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC001571291108 946069882 /nfs/dbraw/zinc/06/98/82/946069882.db2.gz BQNWNIZMIQFAOA-JMJZKYOTSA-N -1 1 389.359 1.484 20 0 GDADMM O=S(=O)(N[C@@H]1CCO[C@H]1c1ccccc1)c1cccc(F)c1-c1nnn[n-]1 ZINC001571292050 946088081 /nfs/dbraw/zinc/08/80/81/946088081.db2.gz UAUSYURWNMXNRF-CJNGLKHVSA-N -1 1 389.412 1.814 20 0 GDADMM O=S(=O)(N[C@@H]1CCO[C@H]1c1ccccc1)c1cccc(F)c1-c1nn[n-]n1 ZINC001571292050 946088095 /nfs/dbraw/zinc/08/80/95/946088095.db2.gz UAUSYURWNMXNRF-CJNGLKHVSA-N -1 1 389.412 1.814 20 0 GDADMM Cc1nsc(NC[C@H]2CN(C(=O)Cc3ccoc3)CCO2)c1-c1nn[n-]n1 ZINC001571293603 946110598 /nfs/dbraw/zinc/11/05/98/946110598.db2.gz MHTPNWSSBYZCJF-LBPRGKRZSA-N -1 1 389.441 1.107 20 0 GDADMM CC[C@H](C(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C1CCC(C)CC1 ZINC001571294050 946123847 /nfs/dbraw/zinc/12/38/47/946123847.db2.gz YXUNOQJJGBBSSH-BPCQOVAHSA-N -1 1 389.460 1.098 20 0 GDADMM Cn1nc(C(C)(C)C)cc1NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000822704572 946159886 /nfs/dbraw/zinc/15/98/86/946159886.db2.gz NFMBUNOIPZFTPZ-UHFFFAOYSA-N -1 1 384.400 1.088 20 0 GDADMM Cn1nc(C(C)(C)C)cc1NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000822704572 946159890 /nfs/dbraw/zinc/15/98/90/946159890.db2.gz NFMBUNOIPZFTPZ-UHFFFAOYSA-N -1 1 384.400 1.088 20 0 GDADMM Cc1nccc(CNC(=O)Nc2ccc(Br)c(-c3nnn[n-]3)n2)n1 ZINC001571295346 946162144 /nfs/dbraw/zinc/16/21/44/946162144.db2.gz YMWCIFJGJKAIDV-UHFFFAOYSA-N -1 1 390.205 1.444 20 0 GDADMM Cc1nccc(CNC(=O)Nc2ccc(Br)c(-c3nn[n-]n3)n2)n1 ZINC001571295346 946162148 /nfs/dbraw/zinc/16/21/48/946162148.db2.gz YMWCIFJGJKAIDV-UHFFFAOYSA-N -1 1 390.205 1.444 20 0 GDADMM O=C(N[C@H]1CC[C@H](Nc2nccnc2-c2nnn[n-]2)CC1)C1(F)CCOCC1 ZINC001571295699 946172144 /nfs/dbraw/zinc/17/21/44/946172144.db2.gz COKSSSUDMKWLMU-HAQNSBGRSA-N -1 1 390.423 1.015 20 0 GDADMM O=C(N[C@H]1CC[C@H](Nc2nccnc2-c2nn[n-]n2)CC1)C1(F)CCOCC1 ZINC001571295699 946172156 /nfs/dbraw/zinc/17/21/56/946172156.db2.gz COKSSSUDMKWLMU-HAQNSBGRSA-N -1 1 390.423 1.015 20 0 GDADMM O=C(N[C@@H]1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C1(F)CCOCC1 ZINC001571296175 946188147 /nfs/dbraw/zinc/18/81/47/946188147.db2.gz PRIXMEQVNSSBOT-NWDGAFQWSA-N -1 1 390.423 1.015 20 0 GDADMM O=C(N[C@@H]1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C1(F)CCOCC1 ZINC001571296175 946188151 /nfs/dbraw/zinc/18/81/51/946188151.db2.gz PRIXMEQVNSSBOT-NWDGAFQWSA-N -1 1 390.423 1.015 20 0 GDADMM O=C(c1ccc(C2CC2)cc1)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571297963 946202133 /nfs/dbraw/zinc/20/21/33/946202133.db2.gz FQPHNXCJLWAJNO-MRXNPFEDSA-N -1 1 390.451 1.673 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CCCN(c3snc(C)c3-c3nn[n-]n3)C2)ns1 ZINC001571298040 946204178 /nfs/dbraw/zinc/20/41/78/946204178.db2.gz IBDNDPQRRZTNSV-SNVBAGLBSA-N -1 1 390.498 1.795 20 0 GDADMM CC1(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2c2ccccc2)CC1 ZINC001571298371 946213343 /nfs/dbraw/zinc/21/33/43/946213343.db2.gz FPQDEUACRUBRRY-GOEBONIOSA-N -1 1 390.451 1.545 20 0 GDADMM CC1(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2c2ccccc2)CC1 ZINC001571298371 946213354 /nfs/dbraw/zinc/21/33/54/946213354.db2.gz FPQDEUACRUBRRY-GOEBONIOSA-N -1 1 390.451 1.545 20 0 GDADMM Cc1cccc(CCC(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nnn[n-]3)nn2)c1 ZINC001571298407 946216031 /nfs/dbraw/zinc/21/60/31/946216031.db2.gz GOFLGGFZIUFDOA-HOTGVXAUSA-N -1 1 390.451 1.387 20 0 GDADMM Cc1cccc(CCC(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nn[n-]n3)nn2)c1 ZINC001571298407 946216041 /nfs/dbraw/zinc/21/60/41/946216041.db2.gz GOFLGGFZIUFDOA-HOTGVXAUSA-N -1 1 390.451 1.387 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CCN(c3snc(Cl)c3-c3nnn[n-]3)C2)cn1 ZINC001571298846 946229438 /nfs/dbraw/zinc/22/94/38/946229438.db2.gz FFSWGMADHVUQKP-SNVBAGLBSA-N -1 1 390.860 1.689 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CCN(c3snc(Cl)c3-c3nn[n-]n3)C2)cn1 ZINC001571298846 946229447 /nfs/dbraw/zinc/22/94/47/946229447.db2.gz FFSWGMADHVUQKP-SNVBAGLBSA-N -1 1 390.860 1.689 20 0 GDADMM O=C(c1ccc2c(c1)CCCC2)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571299286 946245950 /nfs/dbraw/zinc/24/59/50/946245950.db2.gz VLHLBMPVRKICRA-INIZCTEOSA-N -1 1 390.451 1.862 20 0 GDADMM O=C(c1ccc2c(c1)CCCC2)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571299286 946245960 /nfs/dbraw/zinc/24/59/60/946245960.db2.gz VLHLBMPVRKICRA-INIZCTEOSA-N -1 1 390.451 1.862 20 0 GDADMM C[C@]1(NC(=O)c2ccc(C3CC3)cc2)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571299780 946262534 /nfs/dbraw/zinc/26/25/34/946262534.db2.gz URJVQJRGKRNMMJ-FQEVSTJZSA-N -1 1 390.451 1.933 20 0 GDADMM O=C([C@H]1Cc2ccccc21)N1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571299989 946269853 /nfs/dbraw/zinc/26/98/53/946269853.db2.gz XOZOVFZKTFJWGI-BBRMVZONSA-N -1 1 390.451 1.647 20 0 GDADMM O=C([C@H]1Cc2ccccc21)N1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571299989 946269865 /nfs/dbraw/zinc/26/98/65/946269865.db2.gz XOZOVFZKTFJWGI-BBRMVZONSA-N -1 1 390.451 1.647 20 0 GDADMM Cc1cccc(C)c1C(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001571300057 946270601 /nfs/dbraw/zinc/27/06/01/946270601.db2.gz ZKTXTZQWHKTVJC-GASCZTMLSA-N -1 1 390.451 1.482 20 0 GDADMM Cc1cccc(C)c1C(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001571300057 946270608 /nfs/dbraw/zinc/27/06/08/946270608.db2.gz ZKTXTZQWHKTVJC-GASCZTMLSA-N -1 1 390.451 1.482 20 0 GDADMM O=C(NC[C@@H]1CCCN1c1snc(Cl)c1-c1nnn[n-]1)c1ccccn1 ZINC001571300259 946278699 /nfs/dbraw/zinc/27/86/99/946278699.db2.gz XXBVKFWKEPRANZ-VIFPVBQESA-N -1 1 390.860 1.770 20 0 GDADMM O=C(NC[C@@H]1CCCN1c1snc(Cl)c1-c1nn[n-]n1)c1ccccn1 ZINC001571300259 946278708 /nfs/dbraw/zinc/27/87/08/946278708.db2.gz XXBVKFWKEPRANZ-VIFPVBQESA-N -1 1 390.860 1.770 20 0 GDADMM Cc1ccncc1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001571303261 946331838 /nfs/dbraw/zinc/33/18/38/946331838.db2.gz MSGPCOUPIPHDCJ-OKILXGFUSA-N -1 1 391.439 1.244 20 0 GDADMM Cc1ccncc1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001571303261 946331852 /nfs/dbraw/zinc/33/18/52/946331852.db2.gz MSGPCOUPIPHDCJ-OKILXGFUSA-N -1 1 391.439 1.244 20 0 GDADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)[C@H](c1ccccc1)N1CCCCC1=O ZINC001571303349 946333177 /nfs/dbraw/zinc/33/31/77/946333177.db2.gz KVPGZLRUXJMFCR-SFHVURJKSA-N -1 1 391.435 1.632 20 0 GDADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@H](c1ccccc1)N1CCCCC1=O ZINC001571303349 946333185 /nfs/dbraw/zinc/33/31/85/946333185.db2.gz KVPGZLRUXJMFCR-SFHVURJKSA-N -1 1 391.435 1.632 20 0 GDADMM Cc1ncncc1C(=O)N[C@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571305499 946365336 /nfs/dbraw/zinc/36/53/36/946365336.db2.gz CLFIMUJFNZFYTG-QMMMGPOBSA-N -1 1 391.848 1.084 20 0 GDADMM Cc1nsc(N2C[C@@H](NC(=O)[C@H]3CCCCO3)C(C)(C)C2)c1-c1nn[n-]n1 ZINC001571305671 946370403 /nfs/dbraw/zinc/37/04/03/946370403.db2.gz IXPAVKBPMKILII-VXGBXAGGSA-N -1 1 391.501 1.532 20 0 GDADMM Cc1nsc(NC2CCN(C(=O)CC[C@H]3CCCO3)CC2)c1-c1nn[n-]n1 ZINC001571305697 946373210 /nfs/dbraw/zinc/37/32/10/946373210.db2.gz KCXZLBZXFNILNB-CYBMUJFWSA-N -1 1 391.501 1.994 20 0 GDADMM CCOC1CC(C(=O)N2CCC[C@@H]2CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571306039 946384994 /nfs/dbraw/zinc/38/49/94/946384994.db2.gz OHRMUZUDKZIHPS-OTTFEQOBSA-N -1 1 391.501 1.850 20 0 GDADMM Cc1nsc(N2CC[C@H](N(C)C(=O)C[C@H]3CCCCO3)C2)c1-c1nn[n-]n1 ZINC001571306112 946388539 /nfs/dbraw/zinc/38/85/39/946388539.db2.gz POWULRIAKNWMFU-QWHCGFSZSA-N -1 1 391.501 1.628 20 0 GDADMM Cc1nsc(N2CC[C@H]3[C@H]2CCCN3C(=O)CC(C)(C)O)c1-c1nn[n-]n1 ZINC001571306201 946390267 /nfs/dbraw/zinc/39/02/67/946390267.db2.gz QRKTTXGDQINKDR-NEPJUHHUSA-N -1 1 391.501 1.362 20 0 GDADMM CCO[C@@H]1C[C@@H]1C(=O)N1CCC(CNc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001571306326 946397680 /nfs/dbraw/zinc/39/76/80/946397680.db2.gz SRGNZZRLWSJOJQ-QWHCGFSZSA-N -1 1 391.501 1.707 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1)c1scnc1Cl ZINC001571306518 946402358 /nfs/dbraw/zinc/40/23/58/946402358.db2.gz WPHLMRLOFYFGPF-ZKCHVHJHSA-N -1 1 391.848 1.387 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1)c1scnc1Cl ZINC001571306518 946402365 /nfs/dbraw/zinc/40/23/65/946402365.db2.gz WPHLMRLOFYFGPF-ZKCHVHJHSA-N -1 1 391.848 1.387 20 0 GDADMM Cc1cnc(C(=O)N[C@@H]2CCN(c3nc(-c4nn[n-]n4)c(Cl)s3)C2)cn1 ZINC001571306570 946405548 /nfs/dbraw/zinc/40/55/48/946405548.db2.gz XRDRXGYMKLTJLV-MRVPVSSYSA-N -1 1 391.848 1.084 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571307268 946421185 /nfs/dbraw/zinc/42/11/85/946421185.db2.gz BPRLYQIFSKAHFI-NSHDSACASA-N -1 1 392.414 1.885 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571307268 946421186 /nfs/dbraw/zinc/42/11/86/946421186.db2.gz BPRLYQIFSKAHFI-NSHDSACASA-N -1 1 392.414 1.885 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCCN(C(=O)C3(C(C)(F)F)CC3)C2)n1 ZINC001571307588 946424395 /nfs/dbraw/zinc/42/43/95/946424395.db2.gz FSYFNBBJJNXPPJ-NSHDSACASA-N -1 1 392.414 1.803 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCCN(C(=O)C3(C(C)(F)F)CC3)C2)n1 ZINC001571307588 946424402 /nfs/dbraw/zinc/42/44/02/946424402.db2.gz FSYFNBBJJNXPPJ-NSHDSACASA-N -1 1 392.414 1.803 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571307880 946427520 /nfs/dbraw/zinc/42/75/20/946427520.db2.gz IVKJEMBURKHOKK-PHIMTYICSA-N -1 1 392.414 1.518 20 0 GDADMM CCc1nc(N[C@@H]2CN(C(=O)C3(C(F)F)CC3)C[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571308265 946431575 /nfs/dbraw/zinc/43/15/75/946431575.db2.gz NMYKXNSZGKOXGB-MWLCHTKSSA-N -1 1 392.414 1.523 20 0 GDADMM CCc1nc(N[C@@H]2CN(C(=O)C3(C(F)F)CC3)C[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571308265 946431581 /nfs/dbraw/zinc/43/15/81/946431581.db2.gz NMYKXNSZGKOXGB-MWLCHTKSSA-N -1 1 392.414 1.523 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@]2(C)CCN(C(=O)[C@@H]3CCC3(F)F)C2)n1 ZINC001571308551 946433807 /nfs/dbraw/zinc/43/38/07/946433807.db2.gz QRYNRDJVIZTZKX-MEDUHNTESA-N -1 1 392.414 1.661 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@]2(C)CCN(C(=O)[C@@H]3CCC3(F)F)C2)n1 ZINC001571308551 946433816 /nfs/dbraw/zinc/43/38/16/946433816.db2.gz QRYNRDJVIZTZKX-MEDUHNTESA-N -1 1 392.414 1.661 20 0 GDADMM O=C([C@H]1CCCCC1(F)F)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571308612 946435682 /nfs/dbraw/zinc/43/56/82/946435682.db2.gz SINJAAVGUCVVRY-VXGBXAGGSA-N -1 1 392.414 1.885 20 0 GDADMM O=C([C@H]1CCCCC1(F)F)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571308612 946435694 /nfs/dbraw/zinc/43/56/94/946435694.db2.gz SINJAAVGUCVVRY-VXGBXAGGSA-N -1 1 392.414 1.885 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](NC(=O)[C@H]3CCCCC3(F)F)C2)n1 ZINC001571308851 946438091 /nfs/dbraw/zinc/43/80/91/946438091.db2.gz TXHHSEFLKFPDQQ-VXGBXAGGSA-N -1 1 392.414 1.486 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)[C@H]3CCCCC3(F)F)C2)n1 ZINC001571308851 946438093 /nfs/dbraw/zinc/43/80/93/946438093.db2.gz TXHHSEFLKFPDQQ-VXGBXAGGSA-N -1 1 392.414 1.486 20 0 GDADMM O=C(C[C@@H]1CCCC1(F)F)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571309842 946455344 /nfs/dbraw/zinc/45/53/44/946455344.db2.gz MHGZVJYCKPCFJC-RYUDHWBXSA-N -1 1 392.414 1.567 20 0 GDADMM O=C(C[C@@H]1CCCC1(F)F)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571309842 946455355 /nfs/dbraw/zinc/45/53/55/946455355.db2.gz MHGZVJYCKPCFJC-RYUDHWBXSA-N -1 1 392.414 1.567 20 0 GDADMM O=C(C[C@@H]1CCC(F)(F)C1)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571310097 946461184 /nfs/dbraw/zinc/46/11/84/946461184.db2.gz UZNIAZBXNXFQOS-RYUDHWBXSA-N -1 1 392.414 1.885 20 0 GDADMM O=C(C[C@@H]1CCC(F)(F)C1)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571310097 946461192 /nfs/dbraw/zinc/46/11/92/946461192.db2.gz UZNIAZBXNXFQOS-RYUDHWBXSA-N -1 1 392.414 1.885 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)CCc1ccccc1)c1nccnc1-c1nnn[n-]1 ZINC001571312840 946503641 /nfs/dbraw/zinc/50/36/41/946503641.db2.gz DNYBRWGCGRTLAN-MRXNPFEDSA-N -1 1 392.467 1.717 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)CCc1ccccc1)c1nccnc1-c1nn[n-]n1 ZINC001571312840 946503650 /nfs/dbraw/zinc/50/36/50/946503650.db2.gz DNYBRWGCGRTLAN-MRXNPFEDSA-N -1 1 392.467 1.717 20 0 GDADMM CCc1ccc([C@H](C)C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001571313195 946515390 /nfs/dbraw/zinc/51/53/90/946515390.db2.gz JRORAIQWOJPKJU-BBRMVZONSA-N -1 1 392.467 1.718 20 0 GDADMM CCc1ccc([C@H](C)C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571313195 946515401 /nfs/dbraw/zinc/51/54/01/946515401.db2.gz JRORAIQWOJPKJU-BBRMVZONSA-N -1 1 392.467 1.718 20 0 GDADMM O=C(c1ncccc1[O-])N1CC[C@H]2[C@@H](CCN2c2ccc(-c3nn[nH]n3)cn2)C1 ZINC001571313895 946534357 /nfs/dbraw/zinc/53/43/57/946534357.db2.gz XDNYHXRYXXFNMS-KBPBESRZSA-N -1 1 392.423 1.103 20 0 GDADMM Cc1cc(C)cc(CC(=O)N(C)[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571315800 946559302 /nfs/dbraw/zinc/55/93/02/946559302.db2.gz OIKJIGMYVISETK-MRXNPFEDSA-N -1 1 392.467 1.553 20 0 GDADMM Cc1cccc([C@H](C)C(=O)N2CC[C@@H](N(C)c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571315832 946560333 /nfs/dbraw/zinc/56/03/33/946560333.db2.gz PAMYLVDZKOKGGI-GOEBONIOSA-N -1 1 392.467 1.806 20 0 GDADMM Cc1cccc(CC(=O)N[C@H]2CCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571316508 946579608 /nfs/dbraw/zinc/57/96/08/946579608.db2.gz FCFZZVOGVFPZKT-CVEARBPZSA-N -1 1 392.467 1.469 20 0 GDADMM Cc1ccccc1CC(=O)N1C[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1 ZINC001571316576 946581749 /nfs/dbraw/zinc/58/17/49/946581749.db2.gz GYCBSTYWGAYRNL-GDBMZVCRSA-N -1 1 392.467 1.714 20 0 GDADMM Cc1ccccc1CC(=O)N1C[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1 ZINC001571316576 946581755 /nfs/dbraw/zinc/58/17/55/946581755.db2.gz GYCBSTYWGAYRNL-GDBMZVCRSA-N -1 1 392.467 1.714 20 0 GDADMM Cc1ccccc1[C@@H](C)C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571316636 946582977 /nfs/dbraw/zinc/58/29/77/946582977.db2.gz IYIPIAUNUCHGHG-HUUCEWRRSA-N -1 1 392.467 1.854 20 0 GDADMM Cc1cccc(CCC(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H](C)C2)c1 ZINC001571316665 946584221 /nfs/dbraw/zinc/58/42/21/946584221.db2.gz JIKXZLZKUUESPY-YOEHRIQHSA-N -1 1 392.467 1.857 20 0 GDADMM Cc1cccc(CCC(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H](C)C2)c1 ZINC001571316665 946584225 /nfs/dbraw/zinc/58/42/25/946584225.db2.gz JIKXZLZKUUESPY-YOEHRIQHSA-N -1 1 392.467 1.857 20 0 GDADMM Cc1ccccc1C[C@@H](C)C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571316950 946592193 /nfs/dbraw/zinc/59/21/93/946592193.db2.gz QKDNTWDHQTWKRB-GDBMZVCRSA-N -1 1 392.467 1.857 20 0 GDADMM Cc1ccccc1C[C@@H](C)C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571316950 946592199 /nfs/dbraw/zinc/59/21/99/946592199.db2.gz QKDNTWDHQTWKRB-GDBMZVCRSA-N -1 1 392.467 1.857 20 0 GDADMM Cn1ccc(C(=O)NCC2CC(Nc3snc(Cl)c3-c3nnn[n-]3)C2)c1 ZINC001571317468 946612120 /nfs/dbraw/zinc/61/21/20/946612120.db2.gz JFTIFSINIRMJFF-UHFFFAOYSA-N -1 1 392.876 1.936 20 0 GDADMM Cn1ccc(C(=O)NCC2CC(Nc3snc(Cl)c3-c3nn[n-]n3)C2)c1 ZINC001571317468 946612124 /nfs/dbraw/zinc/61/21/24/946612124.db2.gz JFTIFSINIRMJFF-UHFFFAOYSA-N -1 1 392.876 1.936 20 0 GDADMM Cc1nsc(N2CC[C@@H](NC(=O)c3cc(Cl)cn3C)C2)c1-c1nn[n-]n1 ZINC001571317537 946613777 /nfs/dbraw/zinc/61/37/77/946613777.db2.gz LRJQHUMATPMILI-SNVBAGLBSA-N -1 1 392.876 1.632 20 0 GDADMM Cc1nsc(NCC2CC(NC(=O)c3csc(=O)[nH]3)C2)c1-c1nn[n-]n1 ZINC001571317644 946616511 /nfs/dbraw/zinc/61/65/11/946616511.db2.gz PFPSVPHYOIVZOW-UHFFFAOYSA-N -1 1 392.470 1.414 20 0 GDADMM CC(=O)Nc1cccc([C@H](C)NC(=O)NCc2nc(-c3nnn[n-]3)cs2)c1 ZINC001573547044 946826581 /nfs/dbraw/zinc/82/65/81/946826581.db2.gz VAIDWQCELNCWOW-VIFPVBQESA-N -1 1 386.441 1.842 20 0 GDADMM CC(=O)Nc1cccc([C@H](C)NC(=O)NCc2nc(-c3nn[n-]n3)cs2)c1 ZINC001573547044 946826589 /nfs/dbraw/zinc/82/65/89/946826589.db2.gz VAIDWQCELNCWOW-VIFPVBQESA-N -1 1 386.441 1.842 20 0 GDADMM CC(=O)c1ccc(CCNS(=O)(=O)c2ccsc2-c2nn[n-]n2)cc1 ZINC001573555559 946912032 /nfs/dbraw/zinc/91/20/32/946912032.db2.gz AZBXGYHYUCZWEZ-UHFFFAOYSA-N -1 1 377.451 1.652 20 0 GDADMM CCN(C(=O)Cc1noc(C)c1-c1nnn[n-]1)[C@H]1CCN(c2ccccc2)C1=O ZINC000825376733 947169066 /nfs/dbraw/zinc/16/90/66/947169066.db2.gz MYBRIHINBCQNLH-HNNXBMFYSA-N -1 1 395.423 1.360 20 0 GDADMM CCN(C(=O)Cc1noc(C)c1-c1nn[n-]n1)[C@H]1CCN(c2ccccc2)C1=O ZINC000825376733 947169072 /nfs/dbraw/zinc/16/90/72/947169072.db2.gz MYBRIHINBCQNLH-HNNXBMFYSA-N -1 1 395.423 1.360 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)Nc2cccc(C(C)=O)c2)c1-c1nn[n-]n1 ZINC000825570315 947231280 /nfs/dbraw/zinc/23/12/80/947231280.db2.gz IBPWZHSNLMHNFW-UHFFFAOYSA-N -1 1 383.368 1.081 20 0 GDADMM CCOc1cc(C(=O)N(C)C)ccc1NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825615944 947259129 /nfs/dbraw/zinc/25/91/29/947259129.db2.gz QEZYIKTXDWDZHR-UHFFFAOYSA-N -1 1 399.411 1.445 20 0 GDADMM CCOc1cc(C(=O)N(C)C)ccc1NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825615944 947259138 /nfs/dbraw/zinc/25/91/38/947259138.db2.gz QEZYIKTXDWDZHR-UHFFFAOYSA-N -1 1 399.411 1.445 20 0 GDADMM CCc1nnc(-c2ccc(NC(=O)Cc3noc(C)c3-c3nnn[n-]3)cc2)o1 ZINC000825762685 947319259 /nfs/dbraw/zinc/31/92/59/947319259.db2.gz GRGLRULPAGKJFP-UHFFFAOYSA-N -1 1 380.368 1.957 20 0 GDADMM CCc1nnc(-c2ccc(NC(=O)Cc3noc(C)c3-c3nn[n-]n3)cc2)o1 ZINC000825762685 947319273 /nfs/dbraw/zinc/31/92/73/947319273.db2.gz GRGLRULPAGKJFP-UHFFFAOYSA-N -1 1 380.368 1.957 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C=Cc1ccc2[nH]ccc2c1 ZINC000825923846 947374039 /nfs/dbraw/zinc/37/40/39/947374039.db2.gz YQQVWZNZQJPPQJ-FNORWQNLSA-N -1 1 391.439 1.758 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C=Cc1ccc2[nH]ccc2c1 ZINC000825923846 947374053 /nfs/dbraw/zinc/37/40/53/947374053.db2.gz YQQVWZNZQJPPQJ-FNORWQNLSA-N -1 1 391.439 1.758 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Cc1cn(C)c2ccccc12 ZINC000825930751 947374748 /nfs/dbraw/zinc/37/47/48/947374748.db2.gz XYMDHMYKSOMEJU-UHFFFAOYSA-N -1 1 393.455 1.297 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Cc1cn(C)c2ccccc12 ZINC000825930751 947374762 /nfs/dbraw/zinc/37/47/62/947374762.db2.gz XYMDHMYKSOMEJU-UHFFFAOYSA-N -1 1 393.455 1.297 20 0 GDADMM C[C@H](C(=O)N(C)C1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccsc1 ZINC001573594189 947388404 /nfs/dbraw/zinc/38/84/04/947388404.db2.gz OLAOFXSGRZBWRK-PKSQDBQZSA-N -1 1 384.469 1.923 20 0 GDADMM C[C@H](C(=O)N(C)C1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccsc1 ZINC001573594189 947388415 /nfs/dbraw/zinc/38/84/15/947388415.db2.gz OLAOFXSGRZBWRK-PKSQDBQZSA-N -1 1 384.469 1.923 20 0 GDADMM CO[C@@H]1[C@H](C)[C@@H](NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C1(C)C ZINC000826144256 947452561 /nfs/dbraw/zinc/45/25/61/947452561.db2.gz FPMTYSPXTCWADS-UHNFBRDESA-N -1 1 388.472 1.692 20 0 GDADMM CC(C(=O)N(C)C[C@@H](O)CNc1snc(C)c1-c1nn[n-]n1)=C1CCC1 ZINC001573599612 947458715 /nfs/dbraw/zinc/45/87/15/947458715.db2.gz YSLHVBUOHJDGON-LBPRGKRZSA-N -1 1 377.474 1.363 20 0 GDADMM C[C@H](C(=O)N(C)CCNc1ccnc(-c2nn[n-]n2)n1)c1ccc(F)c(F)c1 ZINC001573603429 947487918 /nfs/dbraw/zinc/48/79/18/947487918.db2.gz GPPRZGOAZFNDJD-JTQLQIEISA-N -1 1 388.382 1.031 20 0 GDADMM COCCOc1ccc(F)cc1NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000826162810 947512137 /nfs/dbraw/zinc/51/21/37/947512137.db2.gz SPURVJCQNRGAFP-UHFFFAOYSA-N -1 1 376.348 1.509 20 0 GDADMM COCCOc1ccc(F)cc1NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000826162810 947512144 /nfs/dbraw/zinc/51/21/44/947512144.db2.gz SPURVJCQNRGAFP-UHFFFAOYSA-N -1 1 376.348 1.509 20 0 GDADMM COc1ccc(CCNC(=O)Cc2noc(C)c2-c2nnn[n-]2)c(Cl)c1 ZINC000826192576 947588048 /nfs/dbraw/zinc/58/80/48/947588048.db2.gz SVJWIYPXNLGHDF-UHFFFAOYSA-N -1 1 376.804 1.727 20 0 GDADMM COc1ccc(CCNC(=O)Cc2noc(C)c2-c2nn[n-]n2)c(Cl)c1 ZINC000826192576 947588056 /nfs/dbraw/zinc/58/80/56/947588056.db2.gz SVJWIYPXNLGHDF-UHFFFAOYSA-N -1 1 376.804 1.727 20 0 GDADMM C=Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001573350362 947596240 /nfs/dbraw/zinc/59/62/40/947596240.db2.gz AQKNRLNBBJHNBC-IYBDPMFKSA-N -1 1 388.435 1.793 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1)C(C)(C)C ZINC001573615109 947598104 /nfs/dbraw/zinc/59/81/04/947598104.db2.gz RDHQAZRAZARYEU-MELADBBJSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1)C(C)(C)C ZINC001573615109 947598108 /nfs/dbraw/zinc/59/81/08/947598108.db2.gz RDHQAZRAZARYEU-MELADBBJSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CN(C)c2cnc(-c3nnn[n-]3)cn2)C1)C1CCCC1 ZINC001573615166 947600135 /nfs/dbraw/zinc/60/01/35/947600135.db2.gz IFJWQSBDRUXMPC-ZIAGYGMSSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CN(C)c2cnc(-c3nn[n-]n3)cn2)C1)C1CCCC1 ZINC001573615166 947600148 /nfs/dbraw/zinc/60/01/48/947600148.db2.gz IFJWQSBDRUXMPC-ZIAGYGMSSA-N -1 1 384.488 1.768 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@@H](N(C)c3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001573350811 947604193 /nfs/dbraw/zinc/60/41/93/947604193.db2.gz HLHRLILSZOQDOC-OAHLLOKOSA-N -1 1 376.424 1.651 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@@H](N(C)c3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573350811 947604197 /nfs/dbraw/zinc/60/41/97/947604197.db2.gz HLHRLILSZOQDOC-OAHLLOKOSA-N -1 1 376.424 1.651 20 0 GDADMM C[C@H](C(=O)N1CC[C@@](C)(CNc2ccc(-c3nnn[n-]3)nn2)C1)c1ccco1 ZINC001573615600 947607194 /nfs/dbraw/zinc/60/71/94/947607194.db2.gz SXYRWBWETZOIPC-SGTLLEGYSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@H](C(=O)N1CC[C@@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C1)c1ccco1 ZINC001573615600 947607198 /nfs/dbraw/zinc/60/71/98/947607198.db2.gz SXYRWBWETZOIPC-SGTLLEGYSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)c1cccs1 ZINC001573615632 947608158 /nfs/dbraw/zinc/60/81/58/947608158.db2.gz FCQKLUXBNGPPBA-NWDGAFQWSA-N -1 1 384.469 1.782 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)c1cccs1 ZINC001573615632 947608164 /nfs/dbraw/zinc/60/81/64/947608164.db2.gz FCQKLUXBNGPPBA-NWDGAFQWSA-N -1 1 384.469 1.782 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)c1cccs1 ZINC001573615634 947609034 /nfs/dbraw/zinc/60/90/34/947609034.db2.gz FCQKLUXBNGPPBA-VXGBXAGGSA-N -1 1 384.469 1.782 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)c1cccs1 ZINC001573615634 947609038 /nfs/dbraw/zinc/60/90/38/947609038.db2.gz FCQKLUXBNGPPBA-VXGBXAGGSA-N -1 1 384.469 1.782 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)c1ccsc1 ZINC001573616371 947621335 /nfs/dbraw/zinc/62/13/35/947621335.db2.gz IJDOQWZKOCXHHY-AAEUAGOBSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)c1ccsc1 ZINC001573616371 947621345 /nfs/dbraw/zinc/62/13/45/947621345.db2.gz IJDOQWZKOCXHHY-AAEUAGOBSA-N -1 1 384.469 1.559 20 0 GDADMM C=Cc1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3nccnc3-c3nnn[n-]3)C2)cc1 ZINC001573352212 947628076 /nfs/dbraw/zinc/62/80/76/947628076.db2.gz YWXNMFAZUAEVTD-IUODEOHRSA-N -1 1 376.424 1.872 20 0 GDADMM C=Cc1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3nccnc3-c3nn[n-]n3)C2)cc1 ZINC001573352212 947628083 /nfs/dbraw/zinc/62/80/83/947628083.db2.gz YWXNMFAZUAEVTD-IUODEOHRSA-N -1 1 376.424 1.872 20 0 GDADMM C[C@H](C(=O)N1CCC(C)(Nc2ccnc(-c3nn[n-]n3)n2)CC1)C1CCCC1 ZINC001573617880 947643521 /nfs/dbraw/zinc/64/35/21/947643521.db2.gz QAOLNRYBBNKBDA-ZDUSSCGKSA-N -1 1 384.488 1.698 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CN(C)c2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001573618301 947648659 /nfs/dbraw/zinc/64/86/59/947648659.db2.gz RONMTSFWOSRGPU-ZIAGYGMSSA-N -1 1 381.444 1.004 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CN(C)c2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001573618301 947648663 /nfs/dbraw/zinc/64/86/63/947648663.db2.gz RONMTSFWOSRGPU-ZIAGYGMSSA-N -1 1 381.444 1.004 20 0 GDADMM C[C@H](C(=O)N1CCC(N(C)c2cncc(-c3nnn[n-]3)n2)CC1)C1CCCC1 ZINC001573618421 947649794 /nfs/dbraw/zinc/64/97/94/947649794.db2.gz QUYHNZWNVXYQHW-ZDUSSCGKSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](C(=O)N1CCC(N(C)c2cncc(-c3nn[n-]n3)n2)CC1)C1CCCC1 ZINC001573618421 947649801 /nfs/dbraw/zinc/64/98/01/947649801.db2.gz QUYHNZWNVXYQHW-ZDUSSCGKSA-N -1 1 384.488 1.910 20 0 GDADMM COc1ccccc1CN1CCN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)CC1 ZINC000826219746 947651583 /nfs/dbraw/zinc/65/15/83/947651583.db2.gz PGEQTPIVRHZVFY-UHFFFAOYSA-N -1 1 397.439 1.059 20 0 GDADMM COc1ccccc1CN1CCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)CC1 ZINC000826219746 947651589 /nfs/dbraw/zinc/65/15/89/947651589.db2.gz PGEQTPIVRHZVFY-UHFFFAOYSA-N -1 1 397.439 1.059 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1)c1cccs1 ZINC001573619837 947672044 /nfs/dbraw/zinc/67/20/44/947672044.db2.gz YFWNCTLUEVYYEW-NEPJUHHUSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1)c1cccs1 ZINC001573619837 947672049 /nfs/dbraw/zinc/67/20/49/947672049.db2.gz YFWNCTLUEVYYEW-NEPJUHHUSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1)c1cccs1 ZINC001573619847 947672249 /nfs/dbraw/zinc/67/22/49/947672249.db2.gz YFWNCTLUEVYYEW-VXGBXAGGSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1)c1cccs1 ZINC001573619847 947672253 /nfs/dbraw/zinc/67/22/53/947672253.db2.gz YFWNCTLUEVYYEW-VXGBXAGGSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@H](C(=O)N1CCC(CN(C)c2nccnc2-c2nnn[n-]2)CC1)C1CCC1 ZINC001573620179 947678185 /nfs/dbraw/zinc/67/81/85/947678185.db2.gz YZIUQGXCUHPIBD-ZDUSSCGKSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](C(=O)N1CCC(CN(C)c2nccnc2-c2nn[n-]n2)CC1)C1CCC1 ZINC001573620179 947678194 /nfs/dbraw/zinc/67/81/94/947678194.db2.gz YZIUQGXCUHPIBD-ZDUSSCGKSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](C(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1)c1cccs1 ZINC001573624299 947693800 /nfs/dbraw/zinc/69/38/00/947693800.db2.gz KLVMCXZFYRSAQC-LLVKDONJSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@@H](C(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1)c1cccs1 ZINC001573624299 947693808 /nfs/dbraw/zinc/69/38/08/947693808.db2.gz KLVMCXZFYRSAQC-LLVKDONJSA-N -1 1 384.469 1.925 20 0 GDADMM C/C(=C/C(=O)N1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)CC1)C1CC1 ZINC001573361815 947697598 /nfs/dbraw/zinc/69/75/98/947697598.db2.gz FIDVDOUSHSYYFT-HJWRWDBZSA-N -1 1 379.877 1.982 20 0 GDADMM C/C(=C/C(=O)N1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)CC1)C1CC1 ZINC001573361815 947697606 /nfs/dbraw/zinc/69/76/06/947697606.db2.gz FIDVDOUSHSYYFT-HJWRWDBZSA-N -1 1 379.877 1.982 20 0 GDADMM C/C(=C/C(=O)N1CCCC[C@@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573364020 947715042 /nfs/dbraw/zinc/71/50/42/947715042.db2.gz OVTKAODZRYJNPY-UZGISAJGSA-N -1 1 382.472 1.830 20 0 GDADMM C/C(=C/C(=O)N1CCCC[C@@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573364020 947715051 /nfs/dbraw/zinc/71/50/51/947715051.db2.gz OVTKAODZRYJNPY-UZGISAJGSA-N -1 1 382.472 1.830 20 0 GDADMM C/C(=C/C(=O)N1CCCC[C@@H]1[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573363995 947716205 /nfs/dbraw/zinc/71/62/05/947716205.db2.gz OTGCVLPFPZXTKN-ZBJRGFNVSA-N -1 1 382.472 1.616 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1)c1ccsc1 ZINC001573627426 947721876 /nfs/dbraw/zinc/72/18/76/947721876.db2.gz BFCMYGZYCHZCAN-WCQYABFASA-N -1 1 384.469 1.925 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1)c1ccsc1 ZINC001573627426 947721881 /nfs/dbraw/zinc/72/18/81/947721881.db2.gz BFCMYGZYCHZCAN-WCQYABFASA-N -1 1 384.469 1.925 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573627502 947723462 /nfs/dbraw/zinc/72/34/62/947723462.db2.gz CQXPYWQPPWPFQB-UKRRQHHQSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1)n1cccc1 ZINC001573627639 947729464 /nfs/dbraw/zinc/72/94/64/947729464.db2.gz DAQALGBTOXONCR-ZIAGYGMSSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1)n1cccc1 ZINC001573627639 947729470 /nfs/dbraw/zinc/72/94/70/947729470.db2.gz DAQALGBTOXONCR-ZIAGYGMSSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cccs1 ZINC001573628177 947748476 /nfs/dbraw/zinc/74/84/76/947748476.db2.gz GCQLLSXBPULLJO-NWDGAFQWSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573628177 947748482 /nfs/dbraw/zinc/74/84/82/947748482.db2.gz GCQLLSXBPULLJO-NWDGAFQWSA-N -1 1 384.469 1.925 20 0 GDADMM C/C(=C/C(=O)NCC[C@@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1)C1CC1 ZINC001573366833 947748537 /nfs/dbraw/zinc/74/85/37/947748537.db2.gz YQOVVKKXGRNPAP-FWLQQBITSA-N -1 1 382.472 1.654 20 0 GDADMM C/C(=C/C(=O)NCC[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001573366833 947748546 /nfs/dbraw/zinc/74/85/46/947748546.db2.gz YQOVVKKXGRNPAP-FWLQQBITSA-N -1 1 382.472 1.654 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1)c1cccs1 ZINC001573628311 947752362 /nfs/dbraw/zinc/75/23/62/947752362.db2.gz KOGXTBOWEZYUSM-NEPJUHHUSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1)c1cccs1 ZINC001573628311 947752370 /nfs/dbraw/zinc/75/23/70/947752370.db2.gz KOGXTBOWEZYUSM-NEPJUHHUSA-N -1 1 384.469 1.925 20 0 GDADMM CC(=O)CCCC(=O)N1CCC([C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573367351 947759446 /nfs/dbraw/zinc/75/94/46/947759446.db2.gz CDBHQZSXUGHUOI-ZDUSSCGKSA-N -1 1 386.460 1.455 20 0 GDADMM CC(=O)CCCC(=O)N1CCC([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573367351 947759454 /nfs/dbraw/zinc/75/94/54/947759454.db2.gz CDBHQZSXUGHUOI-ZDUSSCGKSA-N -1 1 386.460 1.455 20 0 GDADMM CC(=O)CCCC(=O)N1CCC([C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573367349 947759858 /nfs/dbraw/zinc/75/98/58/947759858.db2.gz CDBHQZSXUGHUOI-CYBMUJFWSA-N -1 1 386.460 1.455 20 0 GDADMM CC(=O)CCCC(=O)N1CCC([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573367349 947759865 /nfs/dbraw/zinc/75/98/65/947759865.db2.gz CDBHQZSXUGHUOI-CYBMUJFWSA-N -1 1 386.460 1.455 20 0 GDADMM CC(=O)CCCC(=O)N1C[C@H](C)[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573367759 947762883 /nfs/dbraw/zinc/76/28/83/947762883.db2.gz HURBPQDRHXJRRW-JOYOIKCWSA-N -1 1 377.474 1.650 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1)C1CCC1 ZINC001573629059 947771618 /nfs/dbraw/zinc/77/16/18/947771618.db2.gz QJXNRDUJUQKTMW-UKRRQHHQSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](CN(C)c2ccnc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573629251 947774952 /nfs/dbraw/zinc/77/49/52/947774952.db2.gz MZDSLIGLDQSLKH-ZIAGYGMSSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@@H]1CCNc1ccnc(-c2nn[n-]n2)n1)C1CCC1 ZINC001573629813 947784540 /nfs/dbraw/zinc/78/45/40/947784540.db2.gz VWTOXZUFGDBFQT-DZGCQCFKSA-N -1 1 384.488 1.698 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1)c1cccs1 ZINC001573629846 947785346 /nfs/dbraw/zinc/78/53/46/947785346.db2.gz WJVTXZCMQOGAFO-VXGBXAGGSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1)c1cccs1 ZINC001573629846 947785349 /nfs/dbraw/zinc/78/53/49/947785349.db2.gz WJVTXZCMQOGAFO-VXGBXAGGSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1)c1cccs1 ZINC001573629840 947786224 /nfs/dbraw/zinc/78/62/24/947786224.db2.gz WJVTXZCMQOGAFO-NEPJUHHUSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1)c1cccs1 ZINC001573629840 947786231 /nfs/dbraw/zinc/78/62/31/947786231.db2.gz WJVTXZCMQOGAFO-NEPJUHHUSA-N -1 1 384.469 1.925 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C12CCC2 ZINC001573373137 947788125 /nfs/dbraw/zinc/78/81/25/947788125.db2.gz BBJWBNWBMYCGKS-KBPBESRZSA-N -1 1 384.444 1.255 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C12CCC2 ZINC001573373137 947788134 /nfs/dbraw/zinc/78/81/34/947788134.db2.gz BBJWBNWBMYCGKS-KBPBESRZSA-N -1 1 384.444 1.255 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccsc1 ZINC001573630139 947788156 /nfs/dbraw/zinc/78/81/56/947788156.db2.gz QXOWJGKVTISMKA-WCQYABFASA-N -1 1 384.469 1.925 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccsc1 ZINC001573630139 947788164 /nfs/dbraw/zinc/78/81/64/947788164.db2.gz QXOWJGKVTISMKA-WCQYABFASA-N -1 1 384.469 1.925 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)c1ccsc1 ZINC001573630551 947792822 /nfs/dbraw/zinc/79/28/22/947792822.db2.gz YOIVMBYLMLOCAU-DGCLKSJQSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)c1ccsc1 ZINC001573630551 947792833 /nfs/dbraw/zinc/79/28/33/947792833.db2.gz YOIVMBYLMLOCAU-DGCLKSJQSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001573632081 947807437 /nfs/dbraw/zinc/80/74/37/947807437.db2.gz YWKUJOPBCSUEAW-CHWSQXEVSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001573632081 947807444 /nfs/dbraw/zinc/80/74/44/947807444.db2.gz YWKUJOPBCSUEAW-CHWSQXEVSA-N -1 1 382.428 1.704 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001573375014 947814022 /nfs/dbraw/zinc/81/40/22/947814022.db2.gz PYCYHRTVYCQIQG-CQSZACIVSA-N -1 1 386.460 1.599 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001573375014 947814028 /nfs/dbraw/zinc/81/40/28/947814028.db2.gz PYCYHRTVYCQIQG-CQSZACIVSA-N -1 1 386.460 1.599 20 0 GDADMM C[C@@H](C(=O)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1)c1cccs1 ZINC001573637569 947817185 /nfs/dbraw/zinc/81/71/85/947817185.db2.gz JGIZRPVBUHBUOT-GFCCVEGCSA-N -1 1 384.469 1.561 20 0 GDADMM C[C@@H](C(=O)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1)c1cccs1 ZINC001573637569 947817192 /nfs/dbraw/zinc/81/71/92/947817192.db2.gz JGIZRPVBUHBUOT-GFCCVEGCSA-N -1 1 384.469 1.561 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)[C@H](C)C1 ZINC001573375556 947821964 /nfs/dbraw/zinc/82/19/64/947821964.db2.gz RVJVKGCWCHCVQD-TZMCWYRMSA-N -1 1 386.460 1.313 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)[C@H](C)C1 ZINC001573375556 947821976 /nfs/dbraw/zinc/82/19/76/947821976.db2.gz RVJVKGCWCHCVQD-TZMCWYRMSA-N -1 1 386.460 1.313 20 0 GDADMM Cc1ccc(CN(CCO)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826288287 947839186 /nfs/dbraw/zinc/83/91/86/947839186.db2.gz ZXKAUVNWUQZSMB-UHFFFAOYSA-N -1 1 391.428 1.497 20 0 GDADMM Cc1ccc(CN(CCO)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826288287 947839191 /nfs/dbraw/zinc/83/91/91/947839191.db2.gz ZXKAUVNWUQZSMB-UHFFFAOYSA-N -1 1 391.428 1.497 20 0 GDADMM C[C@H](C(=O)N1CCO[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)C1CCCC1 ZINC001573641633 947856564 /nfs/dbraw/zinc/85/65/64/947856564.db2.gz MKQUZSOCKKMBOH-GXTWGEPZSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H](C(=O)N1CCO[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573641633 947856573 /nfs/dbraw/zinc/85/65/73/947856573.db2.gz MKQUZSOCKKMBOH-GXTWGEPZSA-N -1 1 386.460 1.122 20 0 GDADMM CC(=O)CCCC(=O)NCC1(Nc2nc(C)cc(-c3nnn[n-]3)n2)CCCC1 ZINC001573380986 947867410 /nfs/dbraw/zinc/86/74/10/947867410.db2.gz MJUZPTRHMINDKB-UHFFFAOYSA-N -1 1 386.460 1.565 20 0 GDADMM CC(=O)CCCC(=O)NCC1(Nc2nc(C)cc(-c3nn[n-]n3)n2)CCCC1 ZINC001573380986 947867416 /nfs/dbraw/zinc/86/74/16/947867416.db2.gz MJUZPTRHMINDKB-UHFFFAOYSA-N -1 1 386.460 1.565 20 0 GDADMM CC(=O)CCCC(=O)NCCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573382018 947881860 /nfs/dbraw/zinc/88/18/60/947881860.db2.gz CBXRHPYKVHSAHT-UHFFFAOYSA-N -1 1 386.460 1.139 20 0 GDADMM CC(=O)CCCC(=O)NCCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573382018 947881869 /nfs/dbraw/zinc/88/18/69/947881869.db2.gz CBXRHPYKVHSAHT-UHFFFAOYSA-N -1 1 386.460 1.139 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1)c1ccco1 ZINC001573647331 947889544 /nfs/dbraw/zinc/88/95/44/947889544.db2.gz ICTQXRTZIFGCBG-FRRDWIJNSA-N -1 1 382.428 1.560 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1)c1ccco1 ZINC001573647331 947889556 /nfs/dbraw/zinc/88/95/56/947889556.db2.gz ICTQXRTZIFGCBG-FRRDWIJNSA-N -1 1 382.428 1.560 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1)n1cccc1 ZINC001573650973 947914898 /nfs/dbraw/zinc/91/48/98/947914898.db2.gz GYFXCLCHDNDVRH-KFWWJZLASA-N -1 1 393.455 1.004 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1)n1cccc1 ZINC001573650973 947914911 /nfs/dbraw/zinc/91/49/11/947914911.db2.gz GYFXCLCHDNDVRH-KFWWJZLASA-N -1 1 393.455 1.004 20 0 GDADMM C[C@H](C(=O)N[C@@](C)(CNc1nccnc1-c1nnn[n-]1)C1CC1)C(C)(F)F ZINC001573653024 947951174 /nfs/dbraw/zinc/95/11/74/947951174.db2.gz IPVBLVBROACZRM-PSLIRLAXSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@H](C(=O)N[C@@](C)(CNc1nccnc1-c1nn[n-]n1)C1CC1)C(C)(F)F ZINC001573653024 947951179 /nfs/dbraw/zinc/95/11/79/947951179.db2.gz IPVBLVBROACZRM-PSLIRLAXSA-N -1 1 380.403 1.645 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@@]1(C)CCO[C@@H]1C ZINC000826328409 947956327 /nfs/dbraw/zinc/95/63/27/947956327.db2.gz QFONDTIUXKXDNX-XIKOKIGWSA-N -1 1 384.444 1.143 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@@]1(C)CCO[C@@H]1C ZINC000826328409 947956337 /nfs/dbraw/zinc/95/63/37/947956337.db2.gz QFONDTIUXKXDNX-XIKOKIGWSA-N -1 1 384.444 1.143 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C(C)(C)C)C(F)(F)F ZINC001573655732 947979694 /nfs/dbraw/zinc/97/96/94/947979694.db2.gz YOVJBJQNALASGD-RKDXNWHRSA-N -1 1 386.382 1.220 20 0 GDADMM C[C@H](C(=O)N[C@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccsc1 ZINC001573655995 947984657 /nfs/dbraw/zinc/98/46/57/947984657.db2.gz BCWYXDBDPQOXRF-APPDUMDISA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)N[C@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccsc1 ZINC001573655995 947984668 /nfs/dbraw/zinc/98/46/68/947984668.db2.gz BCWYXDBDPQOXRF-APPDUMDISA-N -1 1 384.469 1.607 20 0 GDADMM Cc1onc(CC(=O)N(C)CCOc2ccccc2Cl)c1-c1nnn[n-]1 ZINC000826343034 947986285 /nfs/dbraw/zinc/98/62/85/947986285.db2.gz JQGIEBLAOOLCHX-UHFFFAOYSA-N -1 1 376.804 1.896 20 0 GDADMM Cc1onc(CC(=O)N(C)CCOc2ccccc2Cl)c1-c1nn[n-]n1 ZINC000826343034 947986292 /nfs/dbraw/zinc/98/62/92/947986292.db2.gz JQGIEBLAOOLCHX-UHFFFAOYSA-N -1 1 376.804 1.896 20 0 GDADMM Cc1onc(CC(=O)N2CC[C@@H](OCCCc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826343557 947992369 /nfs/dbraw/zinc/99/23/69/947992369.db2.gz GAHKMHHSAQSFPP-MRXNPFEDSA-N -1 1 396.451 1.956 20 0 GDADMM Cc1onc(CC(=O)N2CC[C@@H](OCCCc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826343557 947992377 /nfs/dbraw/zinc/99/23/77/947992377.db2.gz GAHKMHHSAQSFPP-MRXNPFEDSA-N -1 1 396.451 1.956 20 0 GDADMM C[C@@H](C(=O)NC1(CNc2ccc(-c3nnn[n-]3)nn2)CCCC1)C(F)(F)F ZINC001573656867 947993861 /nfs/dbraw/zinc/99/38/61/947993861.db2.gz IZPDSVALQIGNMN-VIFPVBQESA-N -1 1 384.366 1.696 20 0 GDADMM C[C@@H](C(=O)NC1(CNc2ccc(-c3nn[n-]n3)nn2)CCCC1)C(F)(F)F ZINC001573656867 947993868 /nfs/dbraw/zinc/99/38/68/947993868.db2.gz IZPDSVALQIGNMN-VIFPVBQESA-N -1 1 384.366 1.696 20 0 GDADMM Cc1onc(CC(=O)N2CC[C@H](COCc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826343741 947996030 /nfs/dbraw/zinc/99/60/30/947996030.db2.gz LRIUQFRJXMYAMV-HNNXBMFYSA-N -1 1 382.424 1.771 20 0 GDADMM Cc1onc(CC(=O)N2CC[C@H](COCc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826343741 947996037 /nfs/dbraw/zinc/99/60/37/947996037.db2.gz LRIUQFRJXMYAMV-HNNXBMFYSA-N -1 1 382.424 1.771 20 0 GDADMM Cc1onc(CC(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)c1-c1nnn[n-]1 ZINC000826343820 947998131 /nfs/dbraw/zinc/99/81/31/947998131.db2.gz OAESJJYDGQYVBL-HZMBPMFUSA-N -1 1 390.350 1.318 20 0 GDADMM Cc1onc(CC(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)c1-c1nn[n-]n1 ZINC000826343820 947998138 /nfs/dbraw/zinc/99/81/38/947998138.db2.gz OAESJJYDGQYVBL-HZMBPMFUSA-N -1 1 390.350 1.318 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@@H](c3nncn3C3CC3)C2)c1-c1nnn[n-]1 ZINC000826344388 948008033 /nfs/dbraw/zinc/00/80/33/948008033.db2.gz GMXOBTIQDRDNJO-LLVKDONJSA-N -1 1 383.416 1.038 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@@H](c3nncn3C3CC3)C2)c1-c1nn[n-]n1 ZINC000826344388 948008037 /nfs/dbraw/zinc/00/80/37/948008037.db2.gz GMXOBTIQDRDNJO-LLVKDONJSA-N -1 1 383.416 1.038 20 0 GDADMM C[C@H](C(=O)NC1(C)CCN(c2cncc(-c3nnn[n-]3)n2)CC1)n1cccc1 ZINC001573658863 948012521 /nfs/dbraw/zinc/01/25/21/948012521.db2.gz TYTORWBWIGASEH-CYBMUJFWSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](C(=O)NC1(C)CCN(c2cncc(-c3nn[n-]n3)n2)CC1)n1cccc1 ZINC001573658863 948012532 /nfs/dbraw/zinc/01/25/32/948012532.db2.gz TYTORWBWIGASEH-CYBMUJFWSA-N -1 1 381.444 1.195 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](C)c2cccc(N3CCOC3=O)c2)c1-c1nnn[n-]1 ZINC000826345669 948027501 /nfs/dbraw/zinc/02/75/01/948027501.db2.gz QUNGTYQTWVDHET-JTQLQIEISA-N -1 1 397.395 1.540 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](C)c2cccc(N3CCOC3=O)c2)c1-c1nn[n-]n1 ZINC000826345669 948027511 /nfs/dbraw/zinc/02/75/11/948027511.db2.gz QUNGTYQTWVDHET-JTQLQIEISA-N -1 1 397.395 1.540 20 0 GDADMM Cc1onc(CC(=O)N[C@H](C)c2cccc(N3CCOC3=O)c2)c1-c1nnn[n-]1 ZINC000826345670 948028047 /nfs/dbraw/zinc/02/80/47/948028047.db2.gz QUNGTYQTWVDHET-SNVBAGLBSA-N -1 1 397.395 1.540 20 0 GDADMM Cc1onc(CC(=O)N[C@H](C)c2cccc(N3CCOC3=O)c2)c1-c1nn[n-]n1 ZINC000826345670 948028057 /nfs/dbraw/zinc/02/80/57/948028057.db2.gz QUNGTYQTWVDHET-SNVBAGLBSA-N -1 1 397.395 1.540 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2)C(C)(F)F ZINC001573662835 948030865 /nfs/dbraw/zinc/03/08/65/948030865.db2.gz HFOYGTTZMDRMGU-ZYHUDNBSSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2)C(C)(F)F ZINC001573662835 948030871 /nfs/dbraw/zinc/03/08/71/948030871.db2.gz HFOYGTTZMDRMGU-ZYHUDNBSSA-N -1 1 392.414 1.423 20 0 GDADMM Cc1onc(CC(=O)NC2CCN(C(=O)c3ccccc3)CC2)c1-c1nnn[n-]1 ZINC000826346144 948036222 /nfs/dbraw/zinc/03/62/22/948036222.db2.gz DPHWTMNXDBLKAD-UHFFFAOYSA-N -1 1 395.423 1.127 20 0 GDADMM Cc1onc(CC(=O)NC2CCN(C(=O)c3ccccc3)CC2)c1-c1nn[n-]n1 ZINC000826346144 948036231 /nfs/dbraw/zinc/03/62/31/948036231.db2.gz DPHWTMNXDBLKAD-UHFFFAOYSA-N -1 1 395.423 1.127 20 0 GDADMM Cc1onc(CC(=O)N[C@H]2CCc3nc(C(C)(C)C)cn3C2)c1-c1nnn[n-]1 ZINC000826346380 948037258 /nfs/dbraw/zinc/03/72/58/948037258.db2.gz LCUSIWGAMAGILQ-NSHDSACASA-N -1 1 384.444 1.331 20 0 GDADMM Cc1onc(CC(=O)N[C@H]2CCc3nc(C(C)(C)C)cn3C2)c1-c1nn[n-]n1 ZINC000826346380 948037265 /nfs/dbraw/zinc/03/72/65/948037265.db2.gz LCUSIWGAMAGILQ-NSHDSACASA-N -1 1 384.444 1.331 20 0 GDADMM Cc1onc(CC(=O)NCc2cccc(OCC(F)(F)F)c2)c1-c1nnn[n-]1 ZINC000826348022 948066592 /nfs/dbraw/zinc/06/65/92/948066592.db2.gz QJCZZKACEYJOEG-UHFFFAOYSA-N -1 1 396.329 1.963 20 0 GDADMM Cc1onc(CC(=O)NCc2cccc(OCC(F)(F)F)c2)c1-c1nn[n-]n1 ZINC000826348022 948066598 /nfs/dbraw/zinc/06/65/98/948066598.db2.gz QJCZZKACEYJOEG-UHFFFAOYSA-N -1 1 396.329 1.963 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)c1-c1nnn[n-]1 ZINC000826348280 948071517 /nfs/dbraw/zinc/07/15/17/948071517.db2.gz FNVUIIXYDBRCHP-GHMZBOCLSA-N -1 1 398.427 1.353 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)c1-c1nn[n-]n1 ZINC000826348280 948071526 /nfs/dbraw/zinc/07/15/26/948071526.db2.gz FNVUIIXYDBRCHP-GHMZBOCLSA-N -1 1 398.427 1.353 20 0 GDADMM Cc1onc(CC(=O)Nc2cccc(Oc3cnccn3)c2)c1-c1nnn[n-]1 ZINC000826348820 948082545 /nfs/dbraw/zinc/08/25/45/948082545.db2.gz GSCZUSMDVBJKAO-UHFFFAOYSA-N -1 1 378.352 1.927 20 0 GDADMM Cc1onc(CC(=O)Nc2cccc(Oc3cnccn3)c2)c1-c1nn[n-]n1 ZINC000826348820 948082556 /nfs/dbraw/zinc/08/25/56/948082556.db2.gz GSCZUSMDVBJKAO-UHFFFAOYSA-N -1 1 378.352 1.927 20 0 GDADMM Cc1onc(CC(=O)Nc2ccccc2C(=O)NC(C)(C)C)c1-c1nnn[n-]1 ZINC000826348808 948084403 /nfs/dbraw/zinc/08/44/03/948084403.db2.gz FXXXSGMGPSFBHD-UHFFFAOYSA-N -1 1 383.412 1.873 20 0 GDADMM Cc1onc(CC(=O)Nc2ccccc2C(=O)NC(C)(C)C)c1-c1nn[n-]n1 ZINC000826348808 948084414 /nfs/dbraw/zinc/08/44/14/948084414.db2.gz FXXXSGMGPSFBHD-UHFFFAOYSA-N -1 1 383.412 1.873 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cccs1 ZINC001573666234 948084524 /nfs/dbraw/zinc/08/45/24/948084524.db2.gz RIKMFWXYGHJUMT-NWDGAFQWSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573666234 948084535 /nfs/dbraw/zinc/08/45/35/948084535.db2.gz RIKMFWXYGHJUMT-NWDGAFQWSA-N -1 1 384.469 1.607 20 0 GDADMM Cc1onc(CC(=O)Nc2ccccc2N2C[C@@H](C)O[C@H](C)C2)c1-c1nnn[n-]1 ZINC000826349086 948087044 /nfs/dbraw/zinc/08/70/44/948087044.db2.gz SQDJGJHWBMILKN-VXGBXAGGSA-N -1 1 397.439 1.958 20 0 GDADMM Cc1onc(CC(=O)Nc2ccccc2N2C[C@@H](C)O[C@H](C)C2)c1-c1nn[n-]n1 ZINC000826349086 948087052 /nfs/dbraw/zinc/08/70/52/948087052.db2.gz SQDJGJHWBMILKN-VXGBXAGGSA-N -1 1 397.439 1.958 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1)c1ccco1 ZINC001573666743 948089891 /nfs/dbraw/zinc/08/98/91/948089891.db2.gz VXSDTQKOBOHVBB-CHWSQXEVSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1)c1ccco1 ZINC001573666743 948089899 /nfs/dbraw/zinc/08/98/99/948089899.db2.gz VXSDTQKOBOHVBB-CHWSQXEVSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1)n1cccc1 ZINC001573667418 948098491 /nfs/dbraw/zinc/09/84/91/948098491.db2.gz ZLUGKLRHVHXIRT-UONOGXRCSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1)n1cccc1 ZINC001573667418 948098499 /nfs/dbraw/zinc/09/84/99/948098499.db2.gz ZLUGKLRHVHXIRT-UONOGXRCSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1)n1cccc1 ZINC001573667419 948100354 /nfs/dbraw/zinc/10/03/54/948100354.db2.gz ZLUGKLRHVHXIRT-ZIAGYGMSSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1)n1cccc1 ZINC001573667419 948100361 /nfs/dbraw/zinc/10/03/61/948100361.db2.gz ZLUGKLRHVHXIRT-ZIAGYGMSSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C)C1CCC1 ZINC001573675420 948121761 /nfs/dbraw/zinc/12/17/61/948121761.db2.gz PWMKFKFVUYSCID-DOMZBBRYSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C)C1CCC1 ZINC001573675420 948121763 /nfs/dbraw/zinc/12/17/63/948121763.db2.gz PWMKFKFVUYSCID-DOMZBBRYSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)NC[C@H](CO)Nc1snc(Cl)c1-c1nnn[n-]1)C(C)(C)C ZINC001573679856 948167119 /nfs/dbraw/zinc/16/71/19/948167119.db2.gz KECVKCAHLYGISR-JGVFFNPUSA-N -1 1 387.897 1.548 20 0 GDADMM C[C@@H](C(=O)NC[C@H](CO)Nc1snc(Cl)c1-c1nn[n-]n1)C(C)(C)C ZINC001573679856 948167124 /nfs/dbraw/zinc/16/71/24/948167124.db2.gz KECVKCAHLYGISR-JGVFFNPUSA-N -1 1 387.897 1.548 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCCC1)C1CCCC1 ZINC001573691440 948243801 /nfs/dbraw/zinc/24/38/01/948243801.db2.gz HAHWXXJILBAHQB-ZDUSSCGKSA-N -1 1 384.488 1.746 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CC1)c1cccc(F)c1 ZINC001573692356 948263980 /nfs/dbraw/zinc/26/39/80/948263980.db2.gz OUBPNOPTUFSUJA-NSHDSACASA-N -1 1 382.403 1.660 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CC1)c1cccc(F)c1 ZINC001573692356 948263986 /nfs/dbraw/zinc/26/39/86/948263986.db2.gz OUBPNOPTUFSUJA-NSHDSACASA-N -1 1 382.403 1.660 20 0 GDADMM C[C@@H](C(=O)NC[C@]1(C)CCCN(c2nccnc2-c2nnn[n-]2)C1)C1CCC1 ZINC001573692521 948267820 /nfs/dbraw/zinc/26/78/20/948267820.db2.gz PPBFWYRLAPHKEF-YJYMSZOUSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NC[C@]1(C)CCCN(c2nccnc2-c2nn[n-]n2)C1)C1CCC1 ZINC001573692521 948267828 /nfs/dbraw/zinc/26/78/28/948267828.db2.gz PPBFWYRLAPHKEF-YJYMSZOUSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NCC1(C)CCN(c2nccnc2-c2nnn[n-]2)CC1)C1CCC1 ZINC001573692921 948273656 /nfs/dbraw/zinc/27/36/56/948273656.db2.gz QZSJMEJBNXJRNQ-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NCC1(C)CCN(c2nccnc2-c2nn[n-]n2)CC1)C1CCC1 ZINC001573692921 948273666 /nfs/dbraw/zinc/27/36/66/948273666.db2.gz QZSJMEJBNXJRNQ-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1)C(C)(F)F ZINC001573704017 948361916 /nfs/dbraw/zinc/36/19/16/948361916.db2.gz NYULWGNVCMFZKU-WDEREUQCSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1)C(C)(F)F ZINC001573704017 948361925 /nfs/dbraw/zinc/36/19/25/948361925.db2.gz NYULWGNVCMFZKU-WDEREUQCSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCCN1c1nccnc1-c1nnn[n-]1)c1ccco1 ZINC001573703891 948362515 /nfs/dbraw/zinc/36/25/15/948362515.db2.gz NOIOGFROUNJSTH-QWHCGFSZSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCCN1c1nccnc1-c1nn[n-]n1)c1ccco1 ZINC001573703891 948362523 /nfs/dbraw/zinc/36/25/23/948362523.db2.gz NOIOGFROUNJSTH-QWHCGFSZSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001573705416 948400323 /nfs/dbraw/zinc/40/03/23/948400323.db2.gz WNIILRKHVWAQPX-ZIAGYGMSSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@H](C(=O)NCC1CCN(c2nccnc2-c2nnn[n-]2)CC1)C(F)(F)F ZINC001573705701 948406685 /nfs/dbraw/zinc/40/66/85/948406685.db2.gz IXKUMPYDGBNPSI-SECBINFHSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@H](C(=O)NCC1CCN(c2nccnc2-c2nn[n-]n2)CC1)C(F)(F)F ZINC001573705701 948406689 /nfs/dbraw/zinc/40/66/89/948406689.db2.gz IXKUMPYDGBNPSI-SECBINFHSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001573705729 948408258 /nfs/dbraw/zinc/40/82/58/948408258.db2.gz XYIKDJBZSLCWBK-ZJUUUORDSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001573705729 948408266 /nfs/dbraw/zinc/40/82/66/948408266.db2.gz XYIKDJBZSLCWBK-ZJUUUORDSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC001573706236 948415677 /nfs/dbraw/zinc/41/56/77/948415677.db2.gz ZNQFEBWAXBDVSP-QWHCGFSZSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC001573706236 948415684 /nfs/dbraw/zinc/41/56/84/948415684.db2.gz ZNQFEBWAXBDVSP-QWHCGFSZSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](C(=O)NCCC1(CNc2cncc(-c3nnn[n-]3)n2)CC1)C(F)(F)F ZINC001573708945 948463400 /nfs/dbraw/zinc/46/34/00/948463400.db2.gz ZEHOODXSQYEJDK-SECBINFHSA-N -1 1 384.366 1.554 20 0 GDADMM C[C@H](C(=O)NCCC1(CNc2cncc(-c3nn[n-]n3)n2)CC1)C(F)(F)F ZINC001573708945 948463403 /nfs/dbraw/zinc/46/34/03/948463403.db2.gz ZEHOODXSQYEJDK-SECBINFHSA-N -1 1 384.366 1.554 20 0 GDADMM C[C@H](C(=O)NCC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573714981 948481217 /nfs/dbraw/zinc/48/12/17/948481217.db2.gz MLDXWGZBXSRVQZ-KBPBESRZSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NCCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C1CCC1 ZINC001573715175 948484855 /nfs/dbraw/zinc/48/48/55/948484855.db2.gz QGKAQKHFLVMWQE-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NCCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C1CCC1 ZINC001573715175 948484858 /nfs/dbraw/zinc/48/48/58/948484858.db2.gz QGKAQKHFLVMWQE-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)[C@@H](CCNC(=O)[C@H](C)c1ccco1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573720023 948530724 /nfs/dbraw/zinc/53/07/24/948530724.db2.gz ZWBIZNMTDXAVRZ-CHWSQXEVSA-N -1 1 384.444 1.996 20 0 GDADMM CC(C)[C@@H](CCNC(=O)[C@H](C)c1ccco1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573720023 948530731 /nfs/dbraw/zinc/53/07/31/948530731.db2.gz ZWBIZNMTDXAVRZ-CHWSQXEVSA-N -1 1 384.444 1.996 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1)c1cccc(Cl)c1 ZINC001573721003 948536354 /nfs/dbraw/zinc/53/63/54/948536354.db2.gz UQBWFBRBCWYHDR-LLVKDONJSA-N -1 1 386.847 1.666 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1)c1cccc(Cl)c1 ZINC001573721003 948536361 /nfs/dbraw/zinc/53/63/61/948536361.db2.gz UQBWFBRBCWYHDR-LLVKDONJSA-N -1 1 386.847 1.666 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1nccnc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC001573721303 948539611 /nfs/dbraw/zinc/53/96/11/948539611.db2.gz WTXHSVSVZNSKGR-NSHDSACASA-N -1 1 386.847 1.666 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1nccnc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC001573721303 948539615 /nfs/dbraw/zinc/53/96/15/948539615.db2.gz WTXHSVSVZNSKGR-NSHDSACASA-N -1 1 386.847 1.666 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001573726229 948548186 /nfs/dbraw/zinc/54/81/86/948548186.db2.gz GHBQQSSWAOQPTN-IHRRRGAJSA-N -1 1 384.488 1.459 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C)c1ccco1 ZINC001573728158 948558592 /nfs/dbraw/zinc/55/85/92/948558592.db2.gz PMHDMOMCXPSRFB-JHJVBQTASA-N -1 1 382.428 1.242 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C)c1ccco1 ZINC001573728158 948558598 /nfs/dbraw/zinc/55/85/98/948558598.db2.gz PMHDMOMCXPSRFB-JHJVBQTASA-N -1 1 382.428 1.242 20 0 GDADMM C[C@@H](C(=O)NCc1ccccc1CN(C)c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001573728280 948559164 /nfs/dbraw/zinc/55/91/64/948559164.db2.gz CSMFZGHVYYQMHP-CYBMUJFWSA-N -1 1 392.467 1.955 20 0 GDADMM C[C@@H](C(=O)NCc1ccccc1CN(C)c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001573728280 948559169 /nfs/dbraw/zinc/55/91/69/948559169.db2.gz CSMFZGHVYYQMHP-CYBMUJFWSA-N -1 1 392.467 1.955 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccsc1 ZINC001573729864 948572933 /nfs/dbraw/zinc/57/29/33/948572933.db2.gz VNSHTKZRQXSOHB-WZRBSPASSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccsc1 ZINC001573729864 948572939 /nfs/dbraw/zinc/57/29/39/948572939.db2.gz VNSHTKZRQXSOHB-WZRBSPASSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)N[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1)c1ccc(F)c(F)c1 ZINC001573732541 948605108 /nfs/dbraw/zinc/60/51/08/948605108.db2.gz QROPJUVDBPZLEM-VHSXEESVSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@@H](C(=O)N[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1)c1ccc(F)c(F)c1 ZINC001573732541 948605111 /nfs/dbraw/zinc/60/51/11/948605111.db2.gz QROPJUVDBPZLEM-VHSXEESVSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1)C(C)(F)F ZINC001573736248 948612544 /nfs/dbraw/zinc/61/25/44/948612544.db2.gz KSXFQCQJOMDIQV-HBNTYKKESA-N -1 1 380.403 1.787 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1)C(C)(F)F ZINC001573736248 948612548 /nfs/dbraw/zinc/61/25/48/948612548.db2.gz KSXFQCQJOMDIQV-HBNTYKKESA-N -1 1 380.403 1.787 20 0 GDADMM C[C@H](C(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573739921 948626335 /nfs/dbraw/zinc/62/63/35/948626335.db2.gz IPJMLGQFJGWJJN-UXEPBGEESA-N -1 1 390.451 1.319 20 0 GDADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001573741127 948650760 /nfs/dbraw/zinc/65/07/60/948650760.db2.gz YDOZVLHGXPZIEK-CDLYGTGVSA-N -1 1 382.350 1.081 20 0 GDADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001573741127 948650766 /nfs/dbraw/zinc/65/07/66/948650766.db2.gz YDOZVLHGXPZIEK-CDLYGTGVSA-N -1 1 382.350 1.081 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H](C)c1ccc(F)c(F)c1 ZINC001573742866 948664264 /nfs/dbraw/zinc/66/42/64/948664264.db2.gz RZUXTXGHAAMMDC-ZJUUUORDSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H](C)c1ccc(F)c(F)c1 ZINC001573742866 948664267 /nfs/dbraw/zinc/66/42/67/948664267.db2.gz RZUXTXGHAAMMDC-ZJUUUORDSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CC1)[C@@H]1CCCO1 ZINC001573746896 948687690 /nfs/dbraw/zinc/68/76/90/948687690.db2.gz QLPCUPQAOQRLKK-BHPKHCPMSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CC1)[C@@H]1CCCO1 ZINC001573746896 948687696 /nfs/dbraw/zinc/68/76/96/948687696.db2.gz QLPCUPQAOQRLKK-BHPKHCPMSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1F ZINC001573751963 948709056 /nfs/dbraw/zinc/70/90/56/948709056.db2.gz ITEFDCNHARWJPL-SRVKXCTJSA-N -1 1 382.403 1.659 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1F ZINC001573751963 948709061 /nfs/dbraw/zinc/70/90/61/948709061.db2.gz ITEFDCNHARWJPL-SRVKXCTJSA-N -1 1 382.403 1.659 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001573753904 948722843 /nfs/dbraw/zinc/72/28/43/948722843.db2.gz YDOZVLHGXPZIEK-REIXXSIJSA-N -1 1 382.350 1.081 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001573753904 948722849 /nfs/dbraw/zinc/72/28/49/948722849.db2.gz YDOZVLHGXPZIEK-REIXXSIJSA-N -1 1 382.350 1.081 20 0 GDADMM C[C@@H](CNC(=O)CCc1ccc(Cl)cc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574914623 948752852 /nfs/dbraw/zinc/75/28/52/948752852.db2.gz LLUYXIIGWJPJMV-NSHDSACASA-N -1 1 386.847 1.860 20 0 GDADMM C[C@@H](CNC(=O)CCc1ccc(Cl)cc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574914623 948752864 /nfs/dbraw/zinc/75/28/64/948752864.db2.gz LLUYXIIGWJPJMV-NSHDSACASA-N -1 1 386.847 1.860 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccn(C(C)(C)C)n1 ZINC001574678809 948759723 /nfs/dbraw/zinc/75/97/23/948759723.db2.gz JBTICHWLGVITDN-NSHDSACASA-N -1 1 384.448 1.229 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccn(C(C)(C)C)n1 ZINC001574678809 948759737 /nfs/dbraw/zinc/75/97/37/948759737.db2.gz JBTICHWLGVITDN-NSHDSACASA-N -1 1 384.448 1.229 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C2CC2)CC1 ZINC001575222821 948760030 /nfs/dbraw/zinc/76/00/30/948760030.db2.gz LESRAACSKDBICV-JTQLQIEISA-N -1 1 378.387 1.399 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C2CC2)CC1 ZINC001575222821 948760041 /nfs/dbraw/zinc/76/00/41/948760041.db2.gz LESRAACSKDBICV-JTQLQIEISA-N -1 1 378.387 1.399 20 0 GDADMM CC(C)[C@H](F)C(=O)N[C@H](C)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001574078986 948761092 /nfs/dbraw/zinc/76/10/92/948761092.db2.gz HHWVRTOPQFSQHU-YPMHNXCESA-N -1 1 376.440 1.372 20 0 GDADMM CC(C)[C@H](F)C(=O)N[C@H](C)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001574078986 948761105 /nfs/dbraw/zinc/76/11/05/948761105.db2.gz HHWVRTOPQFSQHU-YPMHNXCESA-N -1 1 376.440 1.372 20 0 GDADMM CC(C)c1cccc(C(=O)NCC[C@H](C)Nc2nccnc2-c2nnn[n-]2)n1 ZINC001574418131 948773005 /nfs/dbraw/zinc/77/30/05/948773005.db2.gz RVPQOGRAFQUVJD-LBPRGKRZSA-N -1 1 381.444 1.796 20 0 GDADMM CC(C)c1cccc(C(=O)NCC[C@H](C)Nc2nccnc2-c2nn[n-]n2)n1 ZINC001574418131 948773019 /nfs/dbraw/zinc/77/30/19/948773019.db2.gz RVPQOGRAFQUVJD-LBPRGKRZSA-N -1 1 381.444 1.796 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001574418669 948779573 /nfs/dbraw/zinc/77/95/73/948779573.db2.gz ZRMNVAPLBFHQKM-LBPRGKRZSA-N -1 1 379.428 1.184 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001574418669 948779580 /nfs/dbraw/zinc/77/95/80/948779580.db2.gz ZRMNVAPLBFHQKM-LBPRGKRZSA-N -1 1 379.428 1.184 20 0 GDADMM CC(C)[C@H](F)C(=O)NCC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001574080154 948785103 /nfs/dbraw/zinc/78/51/03/948785103.db2.gz IMIOWLIUKUQIOU-BZPMIXESSA-N -1 1 376.440 1.229 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001574419590 948787150 /nfs/dbraw/zinc/78/71/50/948787150.db2.gz FRVUVDBMHCNHJH-SHTZXODSSA-N -1 1 378.440 1.575 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001574419983 948793316 /nfs/dbraw/zinc/79/33/16/948793316.db2.gz NHKUHXVABPWQNV-HNNXBMFYSA-N -1 1 378.440 1.789 20 0 GDADMM CC(C)c1ccoc1C(=O)NC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001574420848 948806275 /nfs/dbraw/zinc/80/62/75/948806275.db2.gz BUDCDZDVAFWYJG-GFCCVEGCSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1ccoc1C(=O)NC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001574420848 948806295 /nfs/dbraw/zinc/80/62/95/948806295.db2.gz BUDCDZDVAFWYJG-GFCCVEGCSA-N -1 1 382.428 1.772 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001574680854 948806765 /nfs/dbraw/zinc/80/67/65/948806765.db2.gz IXOABEXHRDSTPJ-FPMFFAJLSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001574680854 948806784 /nfs/dbraw/zinc/80/67/84/948806784.db2.gz IXOABEXHRDSTPJ-FPMFFAJLSA-N -1 1 379.428 1.162 20 0 GDADMM CC(C)c1ccoc1C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574421057 948811215 /nfs/dbraw/zinc/81/12/15/948811215.db2.gz FNNGCVCMYJHYAO-HAQNSBGRSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1ccoc1C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574421057 948811233 /nfs/dbraw/zinc/81/12/33/948811233.db2.gz FNNGCVCMYJHYAO-HAQNSBGRSA-N -1 1 382.428 1.994 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1Cc2ccc(F)cc21 ZINC001574681307 948814403 /nfs/dbraw/zinc/81/44/03/948814403.db2.gz LCYKOFKEKMVSMU-YGRLFVJLSA-N -1 1 382.403 1.442 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1Cc2ccc(F)cc21 ZINC001574681307 948814425 /nfs/dbraw/zinc/81/44/25/948814425.db2.gz LCYKOFKEKMVSMU-YGRLFVJLSA-N -1 1 382.403 1.442 20 0 GDADMM CC(C)c1ccoc1C(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001574421541 948820389 /nfs/dbraw/zinc/82/03/89/948820389.db2.gz LNJMEJRCAKIDLX-ZDUSSCGKSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1ccoc1C(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001574421541 948820405 /nfs/dbraw/zinc/82/04/05/948820405.db2.gz LNJMEJRCAKIDLX-ZDUSSCGKSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1ccoc1C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574422021 948825388 /nfs/dbraw/zinc/82/53/88/948825388.db2.gz UTQQYFBFWYCIIT-LBPRGKRZSA-N -1 1 382.428 1.629 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)CC1(C(F)(F)F)CC1 ZINC001574682195 948828564 /nfs/dbraw/zinc/82/85/64/948828564.db2.gz PPSIMKQEGHRTOY-VIFPVBQESA-N -1 1 384.366 1.696 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)CC1(C(F)(F)F)CC1 ZINC001574682195 948828587 /nfs/dbraw/zinc/82/85/87/948828587.db2.gz PPSIMKQEGHRTOY-VIFPVBQESA-N -1 1 384.366 1.696 20 0 GDADMM C[C@@H](CNC(=O)CCCc1cccnc1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574918026 948835182 /nfs/dbraw/zinc/83/51/82/948835182.db2.gz GAIQJCQNCBIPMD-CYBMUJFWSA-N -1 1 381.444 1.239 20 0 GDADMM C[C@@H](CNC(=O)CCCc1cccnc1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574918026 948835201 /nfs/dbraw/zinc/83/52/01/948835201.db2.gz GAIQJCQNCBIPMD-CYBMUJFWSA-N -1 1 381.444 1.239 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cc1cccc(Cl)c1 ZINC001574683115 948840500 /nfs/dbraw/zinc/84/05/00/948840500.db2.gz URTHLFVOQFVEBP-NSHDSACASA-N -1 1 386.847 1.860 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cc1cccc(Cl)c1 ZINC001574683115 948840521 /nfs/dbraw/zinc/84/05/21/948840521.db2.gz URTHLFVOQFVEBP-NSHDSACASA-N -1 1 386.847 1.860 20 0 GDADMM CC(C)c1nc(C(=O)N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)cs1 ZINC001574424102 948842184 /nfs/dbraw/zinc/84/21/84/948842184.db2.gz FFWVPXFUXYSSOJ-UHFFFAOYSA-N -1 1 385.457 1.199 20 0 GDADMM CC(C)c1nc(C(=O)N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)cs1 ZINC001574424102 948842211 /nfs/dbraw/zinc/84/22/11/948842211.db2.gz FFWVPXFUXYSSOJ-UHFFFAOYSA-N -1 1 385.457 1.199 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1coc(C(C)(C)C)n1 ZINC001574683281 948844235 /nfs/dbraw/zinc/84/42/35/948844235.db2.gz XHINONJMBYBDON-JTQLQIEISA-N -1 1 385.432 1.563 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1coc(C(C)(C)C)n1 ZINC001574683281 948844253 /nfs/dbraw/zinc/84/42/53/948844253.db2.gz XHINONJMBYBDON-JTQLQIEISA-N -1 1 385.432 1.563 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001573761997 948846566 /nfs/dbraw/zinc/84/65/66/948846566.db2.gz NTRMXHRDPWPIMT-SECBINFHSA-N -1 1 384.366 1.506 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001573761997 948846588 /nfs/dbraw/zinc/84/65/88/948846588.db2.gz NTRMXHRDPWPIMT-SECBINFHSA-N -1 1 384.366 1.506 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001575229488 948847448 /nfs/dbraw/zinc/84/74/48/948847448.db2.gz JWAQXQRNESIOBF-ZCFIWIBFSA-N -1 1 377.808 1.717 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001575229488 948847466 /nfs/dbraw/zinc/84/74/66/948847466.db2.gz JWAQXQRNESIOBF-ZCFIWIBFSA-N -1 1 377.808 1.717 20 0 GDADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)c1cn(C)cn1 ZINC001574684191 948860300 /nfs/dbraw/zinc/86/03/00/948860300.db2.gz CALHAKQWTPWPGH-SSDOTTSWSA-N -1 1 381.853 1.331 20 0 GDADMM CC(C)(C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001573763101 948864295 /nfs/dbraw/zinc/86/42/95/948864295.db2.gz AXLDEJPGDRVDIZ-CABCVRRESA-N -1 1 382.472 1.663 20 0 GDADMM CC(C)(C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001573763101 948864311 /nfs/dbraw/zinc/86/43/11/948864311.db2.gz AXLDEJPGDRVDIZ-CABCVRRESA-N -1 1 382.472 1.663 20 0 GDADMM CC(C)(C(=O)N1CC[C@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1)C(F)F ZINC001573763107 948865880 /nfs/dbraw/zinc/86/58/80/948865880.db2.gz AYHUUGPFTCWYKR-KRWDZBQOSA-N -1 1 392.414 1.377 20 0 GDADMM CC(C)(C(=O)N1CC[C@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1)C(F)F ZINC001573763107 948865897 /nfs/dbraw/zinc/86/58/97/948865897.db2.gz AYHUUGPFTCWYKR-KRWDZBQOSA-N -1 1 392.414 1.377 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001573763164 948870195 /nfs/dbraw/zinc/87/01/95/948870195.db2.gz CGGPQCFLJOXOND-CQSZACIVSA-N -1 1 378.440 1.647 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001573763164 948870211 /nfs/dbraw/zinc/87/02/11/948870211.db2.gz CGGPQCFLJOXOND-CQSZACIVSA-N -1 1 378.440 1.647 20 0 GDADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)C1=COCCC1 ZINC001574684491 948873153 /nfs/dbraw/zinc/87/31/53/948873153.db2.gz HJSUZMNPVTVJNJ-MRVPVSSYSA-N -1 1 383.865 1.978 20 0 GDADMM CC(F)(F)CCC(=O)N[C@]12CCC[C@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001575234308 948898299 /nfs/dbraw/zinc/89/82/99/948898299.db2.gz AWTSWPPVVKLXKI-PXAZEXFGSA-N -1 1 392.414 1.710 20 0 GDADMM CC(F)(F)CCC(=O)N[C@]12CCC[C@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001575234308 948898317 /nfs/dbraw/zinc/89/83/17/948898317.db2.gz AWTSWPPVVKLXKI-PXAZEXFGSA-N -1 1 392.414 1.710 20 0 GDADMM CC(F)(F)CCC(=O)N1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C(C)(C)C1 ZINC001575234380 948899276 /nfs/dbraw/zinc/89/92/76/948899276.db2.gz BQVMBRHYEYLACX-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM CC(F)(F)CCC(=O)N1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C(C)(C)C1 ZINC001575234380 948899292 /nfs/dbraw/zinc/89/92/92/948899292.db2.gz BQVMBRHYEYLACX-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575234355 948900239 /nfs/dbraw/zinc/90/02/39/948900239.db2.gz BHGWDMXYLHDFBN-LLVKDONJSA-N -1 1 380.403 1.165 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@H](C)[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)s1 ZINC001574427147 948900520 /nfs/dbraw/zinc/90/05/20/948900520.db2.gz ALKIAEHWXINFJI-VHSXEESVSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@H](C)[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)s1 ZINC001574427147 948900531 /nfs/dbraw/zinc/90/05/31/948900531.db2.gz ALKIAEHWXINFJI-VHSXEESVSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001573765813 948926115 /nfs/dbraw/zinc/92/61/15/948926115.db2.gz JMGSUZWHGHAUFW-GJZGRUSLSA-N -1 1 390.451 1.424 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)N1CCC(CN(C)c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574088676 948932654 /nfs/dbraw/zinc/93/26/54/948932654.db2.gz CBDVRQHAHBHSSV-CABCVRRESA-N -1 1 384.488 1.624 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)N1CCC(CN(C)c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574088676 948932663 /nfs/dbraw/zinc/93/26/63/948932663.db2.gz CBDVRQHAHBHSSV-CABCVRRESA-N -1 1 384.488 1.624 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@]12CCC[C@H]1N(c1nccnc1-c1nnn[n-]1)CC2 ZINC001575235959 948932947 /nfs/dbraw/zinc/93/29/47/948932947.db2.gz SYDWSJZXUBPWCT-PIGZYNQJSA-N -1 1 392.414 1.710 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@]12CCC[C@H]1N(c1nccnc1-c1nn[n-]n1)CC2 ZINC001575235959 948932957 /nfs/dbraw/zinc/93/29/57/948932957.db2.gz SYDWSJZXUBPWCT-PIGZYNQJSA-N -1 1 392.414 1.710 20 0 GDADMM CC(F)(F)CCC(=O)NC1(CNc2nccnc2-c2nnn[n-]2)CCCC1 ZINC001575236287 948938725 /nfs/dbraw/zinc/93/87/25/948938725.db2.gz ZJXBRCZXBUFQDU-UHFFFAOYSA-N -1 1 380.403 1.933 20 0 GDADMM CC(F)(F)CCC(=O)NC1(CNc2nccnc2-c2nn[n-]n2)CCCC1 ZINC001575236287 948938736 /nfs/dbraw/zinc/93/87/36/948938736.db2.gz ZJXBRCZXBUFQDU-UHFFFAOYSA-N -1 1 380.403 1.933 20 0 GDADMM CC(C)(C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)c1ccccc1 ZINC001573771289 948938826 /nfs/dbraw/zinc/93/88/26/948938826.db2.gz FGPVXXCCXWCTRL-MRXNPFEDSA-N -1 1 392.467 1.941 20 0 GDADMM CC(C)(C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)c1ccccc1 ZINC001573771289 948938839 /nfs/dbraw/zinc/93/88/39/948938839.db2.gz FGPVXXCCXWCTRL-MRXNPFEDSA-N -1 1 392.467 1.941 20 0 GDADMM CC(C)c1ncsc1C(=O)N(C)[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574432964 948945936 /nfs/dbraw/zinc/94/59/36/948945936.db2.gz QRGDMWSOZXGDOB-JTQLQIEISA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)c1ncsc1C(=O)N(C)[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574432964 948945945 /nfs/dbraw/zinc/94/59/45/948945945.db2.gz QRGDMWSOZXGDOB-JTQLQIEISA-N -1 1 387.473 1.809 20 0 GDADMM CC(F)(F)CCC(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCCC1 ZINC001575237981 948951400 /nfs/dbraw/zinc/95/14/00/948951400.db2.gz KDJZJRDOEAGAGG-UHFFFAOYSA-N -1 1 380.403 1.933 20 0 GDADMM CC(F)(F)CCC(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCCC1 ZINC001575237981 948951406 /nfs/dbraw/zinc/95/14/06/948951406.db2.gz KDJZJRDOEAGAGG-UHFFFAOYSA-N -1 1 380.403 1.933 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)C(F)F ZINC001573772076 948951802 /nfs/dbraw/zinc/95/18/02/948951802.db2.gz QFOWWURMVFBWIM-NXEZZACHSA-N -1 1 380.403 1.787 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)C(F)F ZINC001573772076 948951819 /nfs/dbraw/zinc/95/18/19/948951819.db2.gz QFOWWURMVFBWIM-NXEZZACHSA-N -1 1 380.403 1.787 20 0 GDADMM CC(C)(C(=O)N[C@@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C12CCC2)C(F)F ZINC001573772107 948953509 /nfs/dbraw/zinc/95/35/09/948953509.db2.gz QRWZLVOCWQJNDW-VHSXEESVSA-N -1 1 392.414 1.787 20 0 GDADMM CC(C)(C(=O)N[C@@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C12CCC2)C(F)F ZINC001573772107 948953523 /nfs/dbraw/zinc/95/35/23/948953523.db2.gz QRWZLVOCWQJNDW-VHSXEESVSA-N -1 1 392.414 1.787 20 0 GDADMM CC(C)(C(=O)NC1CC(CNc2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001573772305 948954235 /nfs/dbraw/zinc/95/42/35/948954235.db2.gz TYIIHXHCORJKFP-UHFFFAOYSA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)(C(=O)NC1CC(CNc2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573772305 948954244 /nfs/dbraw/zinc/95/42/44/948954244.db2.gz TYIIHXHCORJKFP-UHFFFAOYSA-N -1 1 384.366 1.552 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001575238454 948954968 /nfs/dbraw/zinc/95/49/68/948954968.db2.gz NQCAETCTZGNLJE-NSHDSACASA-N -1 1 392.414 1.567 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001575238454 948954979 /nfs/dbraw/zinc/95/49/79/948954979.db2.gz NQCAETCTZGNLJE-NSHDSACASA-N -1 1 392.414 1.567 20 0 GDADMM CC(C)(C(=O)NC1CC2(C1)CC(Nc1cnc(-c3nnn[n-]3)cn1)C2)C1CC1 ZINC001573772572 948960919 /nfs/dbraw/zinc/96/09/19/948960919.db2.gz VCNNHHBWQXHQAZ-UHFFFAOYSA-N -1 1 382.472 1.932 20 0 GDADMM CC(C)(C(=O)NC1CC2(C1)CC(Nc1cnc(-c3nn[n-]n3)cn1)C2)C1CC1 ZINC001573772572 948960931 /nfs/dbraw/zinc/96/09/31/948960931.db2.gz VCNNHHBWQXHQAZ-UHFFFAOYSA-N -1 1 382.472 1.932 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@H](C)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574433852 948966488 /nfs/dbraw/zinc/96/64/88/948966488.db2.gz SUAGBAVYJBJPNS-NXEZZACHSA-N -1 1 387.473 1.277 20 0 GDADMM CC(C)(C(=O)NC1CC2(C1)CC(Nc1ccnc(-c3nn[n-]n3)n1)C2)C(F)F ZINC001573772867 948971177 /nfs/dbraw/zinc/97/11/77/948971177.db2.gz XIMLTBMIVVRFOY-UHFFFAOYSA-N -1 1 392.414 1.209 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N(C)[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574433937 948971763 /nfs/dbraw/zinc/97/17/63/948971763.db2.gz WWWCYQCCQREYPU-LLVKDONJSA-N -1 1 384.448 1.086 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N(C)[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574433937 948971778 /nfs/dbraw/zinc/97/17/78/948971778.db2.gz WWWCYQCCQREYPU-LLVKDONJSA-N -1 1 384.448 1.086 20 0 GDADMM C[C@H](CNC(=O)COC(C)(C)C)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574928234 949054177 /nfs/dbraw/zinc/05/41/77/949054177.db2.gz NGUXMCDYVSZINA-MRVPVSSYSA-N -1 1 387.897 1.956 20 0 GDADMM C[C@H](CNC(=O)COC(C)(C)C)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574928234 949054164 /nfs/dbraw/zinc/05/41/64/949054164.db2.gz NGUXMCDYVSZINA-MRVPVSSYSA-N -1 1 387.897 1.956 20 0 GDADMM C[C@H](CNC(=O)COC(C)(C)C)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001574928912 949066658 /nfs/dbraw/zinc/06/66/58/949066658.db2.gz SNFYBLJAKIFBLL-MRVPVSSYSA-N -1 1 387.897 1.956 20 0 GDADMM C[C@H](CNC(=O)COC(C)(C)C)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001574928912 949066642 /nfs/dbraw/zinc/06/66/42/949066642.db2.gz SNFYBLJAKIFBLL-MRVPVSSYSA-N -1 1 387.897 1.956 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001574443121 949104363 /nfs/dbraw/zinc/10/43/63/949104363.db2.gz VCKFLRVIARZKLQ-CYBMUJFWSA-N -1 1 385.432 1.635 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001574443121 949104372 /nfs/dbraw/zinc/10/43/72/949104372.db2.gz VCKFLRVIARZKLQ-CYBMUJFWSA-N -1 1 385.432 1.635 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1sccc1Cl ZINC001574695474 949110619 /nfs/dbraw/zinc/11/06/19/949110619.db2.gz HXMIGGRWKRQABZ-QMMMGPOBSA-N -1 1 378.849 1.992 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1sccc1Cl ZINC001574695474 949110634 /nfs/dbraw/zinc/11/06/34/949110634.db2.gz HXMIGGRWKRQABZ-QMMMGPOBSA-N -1 1 378.849 1.992 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccc(C2CC2)cn1 ZINC001574695979 949119011 /nfs/dbraw/zinc/11/90/11/949119011.db2.gz LJQYVTVIHIKLLS-LLVKDONJSA-N -1 1 379.428 1.550 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccc(C2CC2)cn1 ZINC001574695979 949119022 /nfs/dbraw/zinc/11/90/22/949119022.db2.gz LJQYVTVIHIKLLS-LLVKDONJSA-N -1 1 379.428 1.550 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001574446456 949132235 /nfs/dbraw/zinc/13/22/35/949132235.db2.gz QKZQQKNCVCWDPB-LLVKDONJSA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001574446456 949132252 /nfs/dbraw/zinc/13/22/52/949132252.db2.gz QKZQQKNCVCWDPB-LLVKDONJSA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1occc1C(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001574446430 949135228 /nfs/dbraw/zinc/13/52/28/949135228.db2.gz PXVVUTGDXVNSHN-CYBMUJFWSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1occc1C(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001574446430 949135246 /nfs/dbraw/zinc/13/52/46/949135246.db2.gz PXVVUTGDXVNSHN-CYBMUJFWSA-N -1 1 382.428 1.994 20 0 GDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](C)NC(=O)C(C)(C)c1cccnc1 ZINC001575251449 949140640 /nfs/dbraw/zinc/14/06/40/949140640.db2.gz NHQSZTMAFALHTC-NEPJUHHUSA-N -1 1 381.444 1.335 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)C1CCOCC1 ZINC001574696816 949140871 /nfs/dbraw/zinc/14/08/71/949140871.db2.gz UZGWILRNJIPLBD-MRVPVSSYSA-N -1 1 385.881 1.710 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)C1CCOCC1 ZINC001574696816 949140883 /nfs/dbraw/zinc/14/08/83/949140883.db2.gz UZGWILRNJIPLBD-MRVPVSSYSA-N -1 1 385.881 1.710 20 0 GDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](C)NC(=O)C(C)(C)c1cccnc1 ZINC001575251449 949140656 /nfs/dbraw/zinc/14/06/56/949140656.db2.gz NHQSZTMAFALHTC-NEPJUHHUSA-N -1 1 381.444 1.335 20 0 GDADMM C[C@@H](CNC(=O)COC1CCCC1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574932397 949141267 /nfs/dbraw/zinc/14/12/67/949141267.db2.gz ZJNIZQUAHXPRLP-QMMMGPOBSA-N -1 1 385.881 1.852 20 0 GDADMM C[C@@H](CNC(=O)COC1CCCC1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574932397 949141281 /nfs/dbraw/zinc/14/12/81/949141281.db2.gz ZJNIZQUAHXPRLP-QMMMGPOBSA-N -1 1 385.881 1.852 20 0 GDADMM CC(C)[C@@H]1C[C@@H](C(=O)N(C)CCN(C)c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC001574094879 949145917 /nfs/dbraw/zinc/14/59/17/949145917.db2.gz WTGHWTMKIYIFQS-ZFWWWQNUSA-N -1 1 388.476 1.003 20 0 GDADMM CC(C)[C@@H]1C[C@@H](C(=O)N(C)CCN(C)c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC001574094879 949145931 /nfs/dbraw/zinc/14/59/31/949145931.db2.gz WTGHWTMKIYIFQS-ZFWWWQNUSA-N -1 1 388.476 1.003 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1)C(F)(F)F ZINC001573786776 949147180 /nfs/dbraw/zinc/14/71/80/949147180.db2.gz AKEWYIBGTNJVQY-MIMYLULJSA-N -1 1 396.377 1.471 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1)C(F)(F)F ZINC001573786776 949147190 /nfs/dbraw/zinc/14/71/90/949147190.db2.gz AKEWYIBGTNJVQY-MIMYLULJSA-N -1 1 396.377 1.471 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)[C@H]1CCCCO1 ZINC001573786820 949149564 /nfs/dbraw/zinc/14/95/64/949149564.db2.gz DKIUDDREWLMTFZ-MBNYWOFBSA-N -1 1 386.460 1.311 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)[C@H]1CCCCO1 ZINC001573786820 949149577 /nfs/dbraw/zinc/14/95/77/949149577.db2.gz DKIUDDREWLMTFZ-MBNYWOFBSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)C1=COCCC1 ZINC001574697169 949151097 /nfs/dbraw/zinc/15/10/97/949151097.db2.gz ZKACNTKGVSRFNN-QMMMGPOBSA-N -1 1 383.865 1.978 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)C1=COCCC1 ZINC001574697169 949151105 /nfs/dbraw/zinc/15/11/05/949151105.db2.gz ZKACNTKGVSRFNN-QMMMGPOBSA-N -1 1 383.865 1.978 20 0 GDADMM C[C@@H](NC(=O)C1(c2cccnc2)CC1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575251955 949151972 /nfs/dbraw/zinc/15/19/72/949151972.db2.gz CZYBCOYOKMBISS-NWDGAFQWSA-N -1 1 379.428 1.089 20 0 GDADMM C[C@@H](NC(=O)C1(c2cccnc2)CC1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575251955 949151956 /nfs/dbraw/zinc/15/19/56/949151956.db2.gz CZYBCOYOKMBISS-NWDGAFQWSA-N -1 1 379.428 1.089 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)N1CCC(CN(C)c2nccnc2-c2nnn[n-]2)CC1 ZINC001574095787 949152170 /nfs/dbraw/zinc/15/21/70/949152170.db2.gz YZYGHYKVJQAUAE-GJZGRUSLSA-N -1 1 384.488 1.624 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)N1CCC(CN(C)c2nccnc2-c2nn[n-]n2)CC1 ZINC001574095787 949152185 /nfs/dbraw/zinc/15/21/85/949152185.db2.gz YZYGHYKVJQAUAE-GJZGRUSLSA-N -1 1 384.488 1.624 20 0 GDADMM C[C@H](c1ccccc1)[N@@H+]1CCO[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575514180 949162117 /nfs/dbraw/zinc/16/21/17/949162117.db2.gz BKMVUHQSIDTTNL-CJNGLKHVSA-N -1 1 381.440 1.387 20 0 GDADMM C[C@H](c1ccccc1)[N@H+]1CCO[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575514180 949162132 /nfs/dbraw/zinc/16/21/32/949162132.db2.gz BKMVUHQSIDTTNL-CJNGLKHVSA-N -1 1 381.440 1.387 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ccccc1 ZINC001573787053 949164600 /nfs/dbraw/zinc/16/46/00/949164600.db2.gz KXIKQJBSIJAABV-OKILXGFUSA-N -1 1 378.440 1.694 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ccccc1 ZINC001573787053 949164620 /nfs/dbraw/zinc/16/46/20/949164620.db2.gz KXIKQJBSIJAABV-OKILXGFUSA-N -1 1 378.440 1.694 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001574447593 949165658 /nfs/dbraw/zinc/16/56/58/949165658.db2.gz UCXVYXRLBBYVCS-NSHDSACASA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001574447593 949165665 /nfs/dbraw/zinc/16/56/65/949165665.db2.gz UCXVYXRLBBYVCS-NSHDSACASA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1ocnc1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001574447643 949166044 /nfs/dbraw/zinc/16/60/44/949166044.db2.gz VWDILYYYFONMTL-MNOVXSKESA-N -1 1 383.416 1.165 20 0 GDADMM CC(C)c1ocnc1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001574447643 949166058 /nfs/dbraw/zinc/16/60/58/949166058.db2.gz VWDILYYYFONMTL-MNOVXSKESA-N -1 1 383.416 1.165 20 0 GDADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)C1(c2cccnc2)CC1 ZINC001575253176 949183501 /nfs/dbraw/zinc/18/35/01/949183501.db2.gz JCNBQQPDNKCWHF-NEPJUHHUSA-N -1 1 379.428 1.089 20 0 GDADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)C1(c2cccnc2)CC1 ZINC001575253176 949183510 /nfs/dbraw/zinc/18/35/10/949183510.db2.gz JCNBQQPDNKCWHF-NEPJUHHUSA-N -1 1 379.428 1.089 20 0 GDADMM C[C@@H](NC(=O)C(C1CCC1)C1CCC1)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575253525 949190153 /nfs/dbraw/zinc/19/01/53/949190153.db2.gz UOXKBIPIWYCGIK-VXGBXAGGSA-N -1 1 384.488 1.600 20 0 GDADMM C[C@@H](NC(=O)C1(C2CC2)CC1)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575253582 949193114 /nfs/dbraw/zinc/19/31/14/949193114.db2.gz KUYCUYFDBISZIQ-CHWSQXEVSA-N -1 1 382.472 1.568 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001574451067 949211077 /nfs/dbraw/zinc/21/10/77/949211077.db2.gz AJYRFCFOIAPHJU-NSHDSACASA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001574451067 949211096 /nfs/dbraw/zinc/21/10/96/949211096.db2.gz AJYRFCFOIAPHJU-NSHDSACASA-N -1 1 383.416 1.167 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(F)cc1Cl)Nc1nccnc1-c1nnn[n-]1 ZINC001574936854 949217961 /nfs/dbraw/zinc/21/79/61/949217961.db2.gz LPAIKZSWJKLTEC-VIFPVBQESA-N -1 1 390.810 1.609 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(F)cc1Cl)Nc1nccnc1-c1nn[n-]n1 ZINC001574936854 949217983 /nfs/dbraw/zinc/21/79/83/949217983.db2.gz LPAIKZSWJKLTEC-VIFPVBQESA-N -1 1 390.810 1.609 20 0 GDADMM CC(C)c1scnc1C(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574451270 949226351 /nfs/dbraw/zinc/22/63/51/949226351.db2.gz JOENARBXIJPSJO-JTQLQIEISA-N -1 1 387.473 1.231 20 0 GDADMM CC(C)c1scnc1C(=O)NC[C@H](C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574451294 949228261 /nfs/dbraw/zinc/22/82/61/949228261.db2.gz LHQYTFUQEZPODO-JTQLQIEISA-N -1 1 387.473 1.491 20 0 GDADMM CC(C)c1scnc1C(=O)NC[C@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574451294 949228285 /nfs/dbraw/zinc/22/82/85/949228285.db2.gz LHQYTFUQEZPODO-JTQLQIEISA-N -1 1 387.473 1.491 20 0 GDADMM C[C@@H](NC(=O)C1(CCF)CC1)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575255423 949230380 /nfs/dbraw/zinc/23/03/80/949230380.db2.gz QBVMSIWFKTVFQA-CHWSQXEVSA-N -1 1 388.451 1.518 20 0 GDADMM C[C@@H](c1ccccc1F)N1CCC[C@@H](Nc2cc(-c3nnn[n-]3)ncn2)C1=O ZINC001575517610 949234327 /nfs/dbraw/zinc/23/43/27/949234327.db2.gz XICJBILFFZEAAN-SMDDNHRTSA-N -1 1 382.403 1.960 20 0 GDADMM C[C@@H](c1ccccc1F)N1CCC[C@@H](Nc2cc(-c3nn[n-]n3)ncn2)C1=O ZINC001575517610 949234352 /nfs/dbraw/zinc/23/43/52/949234352.db2.gz XICJBILFFZEAAN-SMDDNHRTSA-N -1 1 382.403 1.960 20 0 GDADMM C[C@@H](Oc1ccccc1)C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574699747 949243327 /nfs/dbraw/zinc/24/33/27/949243327.db2.gz WHOHGRKIXATKIV-QWHCGFSZSA-N -1 1 382.428 1.383 20 0 GDADMM C[C@@H](Oc1ccccc1)C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574699747 949243347 /nfs/dbraw/zinc/24/33/47/949243347.db2.gz WHOHGRKIXATKIV-QWHCGFSZSA-N -1 1 382.428 1.383 20 0 GDADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)[C@@H]2C[C@H]2C2CCC2)CC1 ZINC001575855987 949243756 /nfs/dbraw/zinc/24/37/56/949243756.db2.gz CHKICUATCDHSFV-UONOGXRCSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)[C@@H]2C[C@H]2C2CCC2)CC1 ZINC001575855987 949243780 /nfs/dbraw/zinc/24/37/80/949243780.db2.gz CHKICUATCDHSFV-UONOGXRCSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@@H](NC(=O)C1(c2ccccc2)CC1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575255925 949245100 /nfs/dbraw/zinc/24/51/00/949245100.db2.gz SMMUWLDMHIGXDT-QWHCGFSZSA-N -1 1 378.440 1.694 20 0 GDADMM C[C@@H](NC(=O)C1(c2ccccc2)CC1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575255925 949245120 /nfs/dbraw/zinc/24/51/20/949245120.db2.gz SMMUWLDMHIGXDT-QWHCGFSZSA-N -1 1 378.440 1.694 20 0 GDADMM C[C@H](CNC(=O)Cc1cc(F)ccc1F)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574938702 949253425 /nfs/dbraw/zinc/25/34/25/949253425.db2.gz ZGDMVOQMAMAVBQ-SNVBAGLBSA-N -1 1 388.382 1.119 20 0 GDADMM C[C@H](CNC(=O)Cc1cc(F)ccc1F)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574938702 949253445 /nfs/dbraw/zinc/25/34/45/949253445.db2.gz ZGDMVOQMAMAVBQ-SNVBAGLBSA-N -1 1 388.382 1.119 20 0 GDADMM C[C@H]1CCC[C@@]1(C)C(=O)N1CCC(C)(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576152543 949253776 /nfs/dbraw/zinc/25/37/76/949253776.db2.gz JJWWKIZDUIWCSO-ORAYPTAESA-N -1 1 384.488 1.698 20 0 GDADMM CC(C)CC(=O)N1CCC([C@H]2CCCN2c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574103665 949262213 /nfs/dbraw/zinc/26/22/13/949262213.db2.gz ZQPFFUHHEURQMY-MRXNPFEDSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CC(=O)N1CCC([C@H]2CCCN2c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574103665 949262228 /nfs/dbraw/zinc/26/22/28/949262228.db2.gz ZQPFFUHHEURQMY-MRXNPFEDSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](NC(=O)C1(CCF)CC1)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575256839 949264502 /nfs/dbraw/zinc/26/45/02/949264502.db2.gz XHAKYBBHSWIJJC-OLZOCXBDSA-N -1 1 388.451 1.518 20 0 GDADMM C[C@@H](NC(=O)C1(CCF)CC1)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575256839 949264526 /nfs/dbraw/zinc/26/45/26/949264526.db2.gz XHAKYBBHSWIJJC-OLZOCXBDSA-N -1 1 388.451 1.518 20 0 GDADMM CC1(c2ccccc2C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001575857216 949267647 /nfs/dbraw/zinc/26/76/47/949267647.db2.gz PUAVJXBDIQZROJ-CYBMUJFWSA-N -1 1 390.451 1.717 20 0 GDADMM CC1(c2ccccc2C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575857216 949267669 /nfs/dbraw/zinc/26/76/69/949267669.db2.gz PUAVJXBDIQZROJ-CYBMUJFWSA-N -1 1 390.451 1.717 20 0 GDADMM C[C@H](NC(=O)C1(CF)CCC1)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575257262 949267618 /nfs/dbraw/zinc/26/76/18/949267618.db2.gz YZPCORRJZXNGKF-STQMWFEESA-N -1 1 388.451 1.518 20 0 GDADMM C[C@H](NC(=O)C1(CF)CCC1)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575257262 949267624 /nfs/dbraw/zinc/26/76/24/949267624.db2.gz YZPCORRJZXNGKF-STQMWFEESA-N -1 1 388.451 1.518 20 0 GDADMM C[C@H]1CCC[C@]1(C)C(=O)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576153324 949281855 /nfs/dbraw/zinc/28/18/55/949281855.db2.gz LVCGZAHIPFOWJE-DJJJIMSYSA-N -1 1 384.488 1.555 20 0 GDADMM C[C@H]1CCC[C@@]1(C)C(=O)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576153325 949282781 /nfs/dbraw/zinc/28/27/81/949282781.db2.gz LVCGZAHIPFOWJE-ORAYPTAESA-N -1 1 384.488 1.555 20 0 GDADMM C[C@H](NC(=O)C1CCC(F)(F)CC1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575257779 949284745 /nfs/dbraw/zinc/28/47/45/949284745.db2.gz BSZCNZWQBLNDSB-UWVGGRQHSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@H](NC(=O)C1CCC(F)(F)CC1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575257779 949284762 /nfs/dbraw/zinc/28/47/62/949284762.db2.gz BSZCNZWQBLNDSB-UWVGGRQHSA-N -1 1 380.403 1.787 20 0 GDADMM CC1=C(C)C[C@@](C)(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001575860257 949292288 /nfs/dbraw/zinc/29/22/88/949292288.db2.gz FKLRLEATZNFLTR-KUHUBIRLSA-N -1 1 382.472 1.878 20 0 GDADMM CC1=C(C)C[C@@](C)(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001575860257 949292308 /nfs/dbraw/zinc/29/23/08/949292308.db2.gz FKLRLEATZNFLTR-KUHUBIRLSA-N -1 1 382.472 1.878 20 0 GDADMM C[C@H]1CCC[C@H](C(=O)NCC2CCN(c3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001576153936 949304090 /nfs/dbraw/zinc/30/40/90/949304090.db2.gz NVMAZERNQAJVHO-ZFWWWQNUSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H]1CCC[C@H](C(=O)NCC2CCN(c3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001576153936 949304109 /nfs/dbraw/zinc/30/41/09/949304109.db2.gz NVMAZERNQAJVHO-ZFWWWQNUSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)CC(=O)N1CCC[C@@H]([C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001574108858 949312533 /nfs/dbraw/zinc/31/25/33/949312533.db2.gz SONOCWNGWVIYRN-CABCVRRESA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)CC(=O)N1CCC[C@@H]([C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001574108858 949312551 /nfs/dbraw/zinc/31/25/51/949312551.db2.gz SONOCWNGWVIYRN-CABCVRRESA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(Cl)c1F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574941837 949324432 /nfs/dbraw/zinc/32/44/32/949324432.db2.gz UASODQZHPGQTND-SECBINFHSA-N -1 1 390.810 1.609 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(Cl)c1F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574941837 949324447 /nfs/dbraw/zinc/32/44/47/949324447.db2.gz UASODQZHPGQTND-SECBINFHSA-N -1 1 390.810 1.609 20 0 GDADMM CC(C)(C)C(=O)N1CSC[C@H]1C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001573795352 949329829 /nfs/dbraw/zinc/32/98/29/949329829.db2.gz MFRCWPHYDYCTIU-VIFPVBQESA-N -1 1 390.473 1.353 20 0 GDADMM CC(C)n1ccc(C(=O)N[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C2CC2)n1 ZINC001574457631 949331584 /nfs/dbraw/zinc/33/15/84/949331584.db2.gz LVNGVNVFYMJDBJ-ZDUSSCGKSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1ccc(C(=O)N[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C2CC2)n1 ZINC001574457631 949331611 /nfs/dbraw/zinc/33/16/11/949331611.db2.gz LVNGVNVFYMJDBJ-ZDUSSCGKSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@@H]1CCC[C@H]1CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001576154564 949347526 /nfs/dbraw/zinc/34/75/26/949347526.db2.gz DXBIGILSCPFYSM-BARDWOONSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H]1CCC[C@H]1CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001576154564 949347537 /nfs/dbraw/zinc/34/75/37/949347537.db2.gz DXBIGILSCPFYSM-BARDWOONSA-N -1 1 382.472 1.663 20 0 GDADMM CC(C)CC(=O)N[C@@H]1[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)[C@@H]2C1(C)C ZINC001574110707 949364311 /nfs/dbraw/zinc/36/43/11/949364311.db2.gz ALWQLGNDTCWCMM-VUCTXSBTSA-N -1 1 384.488 1.812 20 0 GDADMM CC(C)CC(=O)N[C@@H]1[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)[C@@H]2C1(C)C ZINC001574110707 949364333 /nfs/dbraw/zinc/36/43/33/949364333.db2.gz ALWQLGNDTCWCMM-VUCTXSBTSA-N -1 1 384.488 1.812 20 0 GDADMM CC(C)CC(=O)N[C@@H]1[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)[C@@H]2C1(C)C ZINC001574110704 949365241 /nfs/dbraw/zinc/36/52/41/949365241.db2.gz ALWQLGNDTCWCMM-JLZZUVOBSA-N -1 1 384.488 1.812 20 0 GDADMM CC(C)CC(=O)N[C@@H]1[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)[C@@H]2C1(C)C ZINC001574110704 949365263 /nfs/dbraw/zinc/36/52/63/949365263.db2.gz ALWQLGNDTCWCMM-JLZZUVOBSA-N -1 1 384.488 1.812 20 0 GDADMM CC(C)CC(=O)N[C@@H]1[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)[C@H]2C1(C)C ZINC001574111007 949367127 /nfs/dbraw/zinc/36/71/27/949367127.db2.gz CZKZXPIAYXOBHK-APHBMKBZSA-N -1 1 384.488 1.812 20 0 GDADMM CC(C)CC(=O)N[C@@H]1[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)[C@H]2C1(C)C ZINC001574111007 949367150 /nfs/dbraw/zinc/36/71/50/949367150.db2.gz CZKZXPIAYXOBHK-APHBMKBZSA-N -1 1 384.488 1.812 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C(C)(C)C(F)F)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575865349 949367730 /nfs/dbraw/zinc/36/77/30/949367730.db2.gz AHWADWXNMZGECD-NXEZZACHSA-N -1 1 380.403 1.422 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C(C)(C)C(F)F)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575865379 949375722 /nfs/dbraw/zinc/37/57/22/949375722.db2.gz AHWADWXNMZGECD-ZJUUUORDSA-N -1 1 380.403 1.422 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574704468 949387377 /nfs/dbraw/zinc/38/73/77/949387377.db2.gz NAMWZQSYTKBHKT-VUYXQBRFSA-N -1 1 390.451 1.501 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574704468 949387399 /nfs/dbraw/zinc/38/73/99/949387399.db2.gz NAMWZQSYTKBHKT-VUYXQBRFSA-N -1 1 390.451 1.501 20 0 GDADMM C[C@H]1CCCC[C@H]1C(=O)N(C)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001576155268 949390635 /nfs/dbraw/zinc/39/06/35/949390635.db2.gz HNKPZPUBCUQJRY-DZGCQCFKSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CCCC[C@H]1C(=O)N(C)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001576155268 949390655 /nfs/dbraw/zinc/39/06/55/949390655.db2.gz HNKPZPUBCUQJRY-DZGCQCFKSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCCC[C@H]1C(=O)N(C)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576155322 949394051 /nfs/dbraw/zinc/39/40/51/949394051.db2.gz IBAYIQLDFKLHPX-UKRRQHHQSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CCCC[C@@H]1C(=O)N(C)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576155323 949394816 /nfs/dbraw/zinc/39/48/16/949394816.db2.gz IBAYIQLDFKLHPX-ZFWWWQNUSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)n1cccc1C(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574464227 949403163 /nfs/dbraw/zinc/40/31/63/949403163.db2.gz GQEGUVRBCNJNDD-CYBMUJFWSA-N -1 1 381.444 1.390 20 0 GDADMM C[C@@H](NC(=O)CC(F)(F)F)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575263685 949404389 /nfs/dbraw/zinc/40/43/89/949404389.db2.gz IUAMYLGONBQBNM-NXEZZACHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](NC(=O)CC(F)(F)F)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575263685 949404408 /nfs/dbraw/zinc/40/44/08/949404408.db2.gz IUAMYLGONBQBNM-NXEZZACHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H]1CCC[C@H](OCC(=O)N[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001576155469 949405240 /nfs/dbraw/zinc/40/52/40/949405240.db2.gz UNGUMQWXPUFCGU-XUXIUFHCSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@H]1CCC[C@H](OCC(=O)N[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001576155469 949405257 /nfs/dbraw/zinc/40/52/57/949405257.db2.gz UNGUMQWXPUFCGU-XUXIUFHCSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H](NC(=O)CC(F)(F)C(F)F)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575263837 949411947 /nfs/dbraw/zinc/41/19/47/949411947.db2.gz KBQSRMXZZGPOGD-RNFRBKRXSA-N -1 1 376.318 1.252 20 0 GDADMM C[C@@H](NC(=O)CC(F)(F)C(F)F)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575263837 949411963 /nfs/dbraw/zinc/41/19/63/949411963.db2.gz KBQSRMXZZGPOGD-RNFRBKRXSA-N -1 1 376.318 1.252 20 0 GDADMM CC(C)(C)C(=O)NC[C@]1(O)CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573802193 949413403 /nfs/dbraw/zinc/41/34/03/949413403.db2.gz GQIMNFGJUOZNPC-CQSZACIVSA-N -1 1 385.881 1.080 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001574464528 949415863 /nfs/dbraw/zinc/41/58/63/949415863.db2.gz KKLVQTOIWHKMMF-CQSZACIVSA-N -1 1 381.444 1.660 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001574464528 949415881 /nfs/dbraw/zinc/41/58/81/949415881.db2.gz KKLVQTOIWHKMMF-CQSZACIVSA-N -1 1 381.444 1.660 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001574464557 949416374 /nfs/dbraw/zinc/41/63/74/949416374.db2.gz LQIHQQOOQIUSKQ-CYBMUJFWSA-N -1 1 381.444 1.660 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001574464557 949416385 /nfs/dbraw/zinc/41/63/85/949416385.db2.gz LQIHQQOOQIUSKQ-CYBMUJFWSA-N -1 1 381.444 1.660 20 0 GDADMM C[C@@H](NC(=O)CC(C)(F)F)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575264133 949417375 /nfs/dbraw/zinc/41/73/75/949417375.db2.gz LWNNTWFOKZEEMS-MNOVXSKESA-N -1 1 380.403 1.423 20 0 GDADMM C[C@]1(C(=O)N2CC[C@H](CCNc3cncc(-c4nnn[n-]4)n3)C2)CCCOC1 ZINC001575533883 949420638 /nfs/dbraw/zinc/42/06/38/949420638.db2.gz IYWUPPTXOZAAJS-UGSOOPFHSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@]1(C(=O)N2CC[C@H](CCNc3cncc(-c4nn[n-]n4)n3)C2)CCCOC1 ZINC001575533883 949420646 /nfs/dbraw/zinc/42/06/46/949420646.db2.gz IYWUPPTXOZAAJS-UGSOOPFHSA-N -1 1 386.460 1.124 20 0 GDADMM CC(C)n1cnc(C(=O)NC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C2CC2)c1 ZINC001574464693 949424699 /nfs/dbraw/zinc/42/46/99/949424699.db2.gz RYXSLSJKDBVASS-GFCCVEGCSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cnc(C(=O)NC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C2CC2)c1 ZINC001574464693 949424714 /nfs/dbraw/zinc/42/47/14/949424714.db2.gz RYXSLSJKDBVASS-GFCCVEGCSA-N -1 1 382.432 1.055 20 0 GDADMM CC1(C(=O)N2CC[C@@H](CCNc3ccnc(-c4nn[n-]n4)n3)C2)CC(F)(F)C1 ZINC001575534547 949427654 /nfs/dbraw/zinc/42/76/54/949427654.db2.gz NOUKQZSHFGHTRA-LLVKDONJSA-N -1 1 392.414 1.165 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1CCCC(F)(F)C1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574705624 949436194 /nfs/dbraw/zinc/43/61/94/949436194.db2.gz JILCECJOXKHMRR-MNOVXSKESA-N -1 1 380.403 1.163 20 0 GDADMM CC1(C(=O)N2C[C@@H]3CCC[C@H](Nc4ccnc(-c5nn[n-]n5)n4)[C@@H]3C2)CCC1 ZINC001575534906 949437237 /nfs/dbraw/zinc/43/72/37/949437237.db2.gz RXOBOMHENGVKKR-MJBXVCDLSA-N -1 1 382.472 1.308 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001574465682 949441946 /nfs/dbraw/zinc/44/19/46/949441946.db2.gz VVMZSPZHNNCOLV-ZDUSSCGKSA-N -1 1 381.444 1.438 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001574465682 949441959 /nfs/dbraw/zinc/44/19/59/949441959.db2.gz VVMZSPZHNNCOLV-ZDUSSCGKSA-N -1 1 381.444 1.438 20 0 GDADMM C[C@@H]1CCC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576156524 949450665 /nfs/dbraw/zinc/45/06/65/949450665.db2.gz WXSVKOAIZMLFFS-TUVASFSCSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H]1CCC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576156524 949450675 /nfs/dbraw/zinc/45/06/75/949450675.db2.gz WXSVKOAIZMLFFS-TUVASFSCSA-N -1 1 382.472 1.663 20 0 GDADMM CC(C)CC(=O)N[C@@H]1COC2(CN(Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001574117290 949462204 /nfs/dbraw/zinc/46/22/04/949462204.db2.gz PZHYUQYHBSYPGM-LBPRGKRZSA-N -1 1 376.486 1.434 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1CCCC(F)(F)C1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574707156 949467537 /nfs/dbraw/zinc/46/75/37/949467537.db2.gz NRWVROCLQMYFIE-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1CCCC(F)(F)C1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574707156 949467555 /nfs/dbraw/zinc/46/75/55/949467555.db2.gz NRWVROCLQMYFIE-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)n1nccc1C(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001574469407 949481369 /nfs/dbraw/zinc/48/13/69/949481369.db2.gz CWHYACHYWMXCRN-GFCCVEGCSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1nccc1C(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001574469407 949481377 /nfs/dbraw/zinc/48/13/77/949481377.db2.gz CWHYACHYWMXCRN-GFCCVEGCSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@@H](CNC(=O)NCc1nc(-c2nnn[n-]2)cs1)NC(=O)OC(C)(C)C ZINC001574949707 949506770 /nfs/dbraw/zinc/50/67/70/949506770.db2.gz BBFSBBAGSUTUGA-QMMMGPOBSA-N -1 1 382.450 1.036 20 0 GDADMM C[C@@H](CNC(=O)NCc1nc(-c2nn[n-]n2)cs1)NC(=O)OC(C)(C)C ZINC001574949707 949506799 /nfs/dbraw/zinc/50/67/99/949506799.db2.gz BBFSBBAGSUTUGA-QMMMGPOBSA-N -1 1 382.450 1.036 20 0 GDADMM C[C@H](CN(C)C(=O)C1CCOCC1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574710967 949520758 /nfs/dbraw/zinc/52/07/58/949520758.db2.gz CRKMXFPDNFQJTG-MRVPVSSYSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](Cc1ccccc1)C(=O)NC[C@H](C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574950018 949522372 /nfs/dbraw/zinc/52/23/72/949522372.db2.gz JSFXPXUGPPKIGC-KBPBESRZSA-N -1 1 380.456 1.476 20 0 GDADMM C[C@@H](Cc1ccccc1)C(=O)NC[C@H](C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574950018 949522384 /nfs/dbraw/zinc/52/23/84/949522384.db2.gz JSFXPXUGPPKIGC-KBPBESRZSA-N -1 1 380.456 1.476 20 0 GDADMM C[C@@H](Cc1ccccc1)C(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574949998 949522593 /nfs/dbraw/zinc/52/25/93/949522593.db2.gz JJDKKOPTYHRZNM-KBPBESRZSA-N -1 1 380.456 1.476 20 0 GDADMM CC(C)CC(=O)NC[C@@]1(O)CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001574122428 949527171 /nfs/dbraw/zinc/52/71/71/949527171.db2.gz WEIWCGVRAAECOZ-AWEZNQCLSA-N -1 1 385.881 1.080 20 0 GDADMM CC(C)CC(=O)NC[C@@]1(O)CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001574122428 949527191 /nfs/dbraw/zinc/52/71/91/949527191.db2.gz WEIWCGVRAAECOZ-AWEZNQCLSA-N -1 1 385.881 1.080 20 0 GDADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H](C)NC(=O)CC1(C(F)(F)F)CC1 ZINC001575268792 949532943 /nfs/dbraw/zinc/53/29/43/949532943.db2.gz PGZBKDUTAFPKOP-BDAKNGLRSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)CC1(C(F)(F)F)CC1 ZINC001575268792 949532961 /nfs/dbraw/zinc/53/29/61/949532961.db2.gz PGZBKDUTAFPKOP-BDAKNGLRSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](CC(=O)N(C)C1CC(Nc2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001574472146 949540710 /nfs/dbraw/zinc/54/07/10/949540710.db2.gz QMZWBSBDZJGBBH-HIFPTAJRSA-N -1 1 382.428 1.845 20 0 GDADMM C[C@@H](CC(=O)N(C)C1CC(Nc2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001574472146 949540731 /nfs/dbraw/zinc/54/07/31/949540731.db2.gz QMZWBSBDZJGBBH-HIFPTAJRSA-N -1 1 382.428 1.845 20 0 GDADMM C[C@@H](CN(C)C(=O)CC(C)(C)C(F)(F)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574711650 949547208 /nfs/dbraw/zinc/54/72/08/949547208.db2.gz JVKXIVMNCBAJBV-VIFPVBQESA-N -1 1 386.382 1.894 20 0 GDADMM C[C@@H](CN(C)C(=O)CC(C)(C)C(F)(F)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574711650 949547224 /nfs/dbraw/zinc/54/72/24/949547224.db2.gz JVKXIVMNCBAJBV-VIFPVBQESA-N -1 1 386.382 1.894 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2CC3(CCC3)C2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575873361 949578103 /nfs/dbraw/zinc/57/81/03/949578103.db2.gz OLFYVUHQRZJTRG-OCCSQVGLSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CC2CC(F)(F)C2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575873508 949583050 /nfs/dbraw/zinc/58/30/50/949583050.db2.gz POPPLIXXOZWJKU-PWSUYJOCSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CC2CC(F)(F)C2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575873508 949583062 /nfs/dbraw/zinc/58/30/62/949583062.db2.gz POPPLIXXOZWJKU-PWSUYJOCSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H](NC(=O)CCC(F)F)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575270319 949588091 /nfs/dbraw/zinc/58/80/91/949588091.db2.gz ZGZRWQMRYYBTOW-QWRGUYRKSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H](NC(=O)CCC(F)F)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575270319 949588111 /nfs/dbraw/zinc/58/81/11/949588111.db2.gz ZGZRWQMRYYBTOW-QWRGUYRKSA-N -1 1 380.403 1.423 20 0 GDADMM CC(C)C[C@H](C(=O)NC[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1)n1ccnc1 ZINC001574125835 949591257 /nfs/dbraw/zinc/59/12/57/949591257.db2.gz SXBVQYWDOHYZPS-TZMCWYRMSA-N -1 1 384.448 1.057 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2C=CC=CC=C2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576167104 949600186 /nfs/dbraw/zinc/60/01/86/949600186.db2.gz OTBCAXJAXXPUKL-ZBFHGGJFSA-N -1 1 392.467 1.994 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2C=CC=CC=C2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576167104 949600203 /nfs/dbraw/zinc/60/02/03/949600203.db2.gz OTBCAXJAXXPUKL-ZBFHGGJFSA-N -1 1 392.467 1.994 20 0 GDADMM CC(C)C[C@H](C(=O)NC[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1)n1ccnc1 ZINC001574126088 949601432 /nfs/dbraw/zinc/60/14/32/949601432.db2.gz ZFTKHQCAQYMMQC-TZMCWYRMSA-N -1 1 384.448 1.057 20 0 GDADMM CC(C)C[C@H](C(=O)NC[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574126088 949601447 /nfs/dbraw/zinc/60/14/47/949601447.db2.gz ZFTKHQCAQYMMQC-TZMCWYRMSA-N -1 1 384.448 1.057 20 0 GDADMM CC(C)CC(C)(C)C(=O)N1CCO[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574127302 949608501 /nfs/dbraw/zinc/60/85/01/949608501.db2.gz FGDCRQZBALFDDF-CYBMUJFWSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)CC(C)(C)C(=O)N1CCO[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574127302 949608514 /nfs/dbraw/zinc/60/85/14/949608514.db2.gz FGDCRQZBALFDDF-CYBMUJFWSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@H](CC(=O)N(C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001574476776 949620352 /nfs/dbraw/zinc/62/03/52/949620352.db2.gz JUVCFHCISGZJEU-ZIAGYGMSSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@H](CC(=O)N(C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001574476776 949620368 /nfs/dbraw/zinc/62/03/68/949620368.db2.gz JUVCFHCISGZJEU-ZIAGYGMSSA-N -1 1 381.444 1.147 20 0 GDADMM CC1(C(=O)N2CCCO[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CCCC1 ZINC001575547299 949627162 /nfs/dbraw/zinc/62/71/62/949627162.db2.gz WXJSTNCQZOGCQK-ZDUSSCGKSA-N -1 1 386.460 1.266 20 0 GDADMM CC1(C(=O)N2CCCO[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CCCC1 ZINC001575547299 949627174 /nfs/dbraw/zinc/62/71/74/949627174.db2.gz WXJSTNCQZOGCQK-ZDUSSCGKSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@H]1CCC(F)(F)C1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574714489 949629637 /nfs/dbraw/zinc/62/96/37/949629637.db2.gz DRFLLIBEQBOPKF-GHMZBOCLSA-N -1 1 380.403 1.163 20 0 GDADMM C[C@H](CC(=O)N(C)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001574477054 949635245 /nfs/dbraw/zinc/63/52/45/949635245.db2.gz ODKPNQDIMYNOAP-KGLIPLIRSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@H](CC(=O)N(C)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001574477054 949635252 /nfs/dbraw/zinc/63/52/52/949635252.db2.gz ODKPNQDIMYNOAP-KGLIPLIRSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@H](CC(=O)N(C)CCCN(C)c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCCO1 ZINC001574477301 949648345 /nfs/dbraw/zinc/64/83/45/949648345.db2.gz PYCLOCZZAUDQIH-HIFRSBDPSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@H](CC(=O)N(C)CCCN(C)c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCCO1 ZINC001574477301 949648361 /nfs/dbraw/zinc/64/83/61/949648361.db2.gz PYCLOCZZAUDQIH-HIFRSBDPSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@H](CNC(=O)[C@H](C)OCc1ccccc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574958137 949654346 /nfs/dbraw/zinc/65/43/46/949654346.db2.gz LRHIIFHVYXHYCO-OLZOCXBDSA-N -1 1 382.428 1.179 20 0 GDADMM C[C@H](CNC(=O)[C@H](C)OCc1ccccc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574958137 949654359 /nfs/dbraw/zinc/65/43/59/949654359.db2.gz LRHIIFHVYXHYCO-OLZOCXBDSA-N -1 1 382.428 1.179 20 0 GDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](C)NC(=O)CCCC1CCOCC1 ZINC001575273327 949664758 /nfs/dbraw/zinc/66/47/58/949664758.db2.gz WDEHDQGDMFLSPA-OLZOCXBDSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](C)NC(=O)CCCC1CCOCC1 ZINC001575273327 949664771 /nfs/dbraw/zinc/66/47/71/949664771.db2.gz WDEHDQGDMFLSPA-OLZOCXBDSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CCc2ccccc2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575878183 949674138 /nfs/dbraw/zinc/67/41/38/949674138.db2.gz NROMCKXXHXKZMP-HOCLYGCPSA-N -1 1 392.467 1.763 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CCc2ccccc2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575878183 949674155 /nfs/dbraw/zinc/67/41/55/949674155.db2.gz NROMCKXXHXKZMP-HOCLYGCPSA-N -1 1 392.467 1.763 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574958462 949676323 /nfs/dbraw/zinc/67/63/23/949676323.db2.gz KAVXWJRAFUFRBO-VHDGCEQUSA-N -1 1 378.440 1.401 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574958462 949676332 /nfs/dbraw/zinc/67/63/32/949676332.db2.gz KAVXWJRAFUFRBO-VHDGCEQUSA-N -1 1 378.440 1.401 20 0 GDADMM C[C@H]1CCCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576169383 949676993 /nfs/dbraw/zinc/67/69/93/949676993.db2.gz HEOIPESCJJGTDP-JAAXMTQOSA-N -1 1 382.472 1.742 20 0 GDADMM C[C@H]1CCCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576169383 949677009 /nfs/dbraw/zinc/67/70/09/949677009.db2.gz HEOIPESCJJGTDP-JAAXMTQOSA-N -1 1 382.472 1.742 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@](C)(O)C1CC1 ZINC001573816652 949683969 /nfs/dbraw/zinc/68/39/69/949683969.db2.gz TWDGUSSWVDRTCZ-ACJLOTCBSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@](C)(O)C1CC1 ZINC001573816652 949683984 /nfs/dbraw/zinc/68/39/84/949683984.db2.gz TWDGUSSWVDRTCZ-ACJLOTCBSA-N -1 1 388.476 1.151 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574958651 949684306 /nfs/dbraw/zinc/68/43/06/949684306.db2.gz LZBNONIMTVSPLM-ZQGRQUNCSA-N -1 1 392.467 1.799 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574958651 949684325 /nfs/dbraw/zinc/68/43/25/949684325.db2.gz LZBNONIMTVSPLM-ZQGRQUNCSA-N -1 1 392.467 1.799 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)CNc1nccnc1-c1nnn[n-]1 ZINC001574958637 949685083 /nfs/dbraw/zinc/68/50/83/949685083.db2.gz LVANVIDPFSWUBB-FPMFFAJLSA-N -1 1 379.428 1.020 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)CNc1nccnc1-c1nn[n-]n1 ZINC001574958637 949685101 /nfs/dbraw/zinc/68/51/01/949685101.db2.gz LVANVIDPFSWUBB-FPMFFAJLSA-N -1 1 379.428 1.020 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CCc2ccoc2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575879849 949695028 /nfs/dbraw/zinc/69/50/28/949695028.db2.gz RXTCOCNWVMVYIQ-TZMCWYRMSA-N -1 1 382.428 1.356 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CCc2ccoc2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575879849 949695045 /nfs/dbraw/zinc/69/50/45/949695045.db2.gz RXTCOCNWVMVYIQ-TZMCWYRMSA-N -1 1 382.428 1.356 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@@H]1CCCC1(F)F)Nc1nccnc1-c1nnn[n-]1 ZINC001574716454 949695334 /nfs/dbraw/zinc/69/53/34/949695334.db2.gz OUVIAOPRMCJZLC-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@@H]1CCCC1(F)F)Nc1nccnc1-c1nn[n-]n1 ZINC001574716454 949695352 /nfs/dbraw/zinc/69/53/52/949695352.db2.gz OUVIAOPRMCJZLC-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001574132681 949698018 /nfs/dbraw/zinc/69/80/18/949698018.db2.gz AQBAIWGLXPYEBB-KFWWJZLASA-N -1 1 384.488 1.909 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001574132681 949698029 /nfs/dbraw/zinc/69/80/29/949698029.db2.gz AQBAIWGLXPYEBB-KFWWJZLASA-N -1 1 384.488 1.909 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N1CC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001574132679 949698178 /nfs/dbraw/zinc/69/81/78/949698178.db2.gz AQAOLNQPBVHROL-QLFBSQMISA-N -1 1 384.488 1.766 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@@H]1CCOC1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574716708 949701920 /nfs/dbraw/zinc/70/19/20/949701920.db2.gz LEEYYZWNAYXTLF-IUCAKERBSA-N -1 1 385.881 1.662 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCCOCC1 ZINC001573817861 949710114 /nfs/dbraw/zinc/71/01/14/949710114.db2.gz BYZMAUFNAPJYNO-GXTWGEPZSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCCOCC1 ZINC001573817861 949710124 /nfs/dbraw/zinc/71/01/24/949710124.db2.gz BYZMAUFNAPJYNO-GXTWGEPZSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001574133546 949714723 /nfs/dbraw/zinc/71/47/23/949714723.db2.gz FZVBTOYUXKRLRO-KFWWJZLASA-N -1 1 384.488 1.624 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001574133546 949714742 /nfs/dbraw/zinc/71/47/42/949714742.db2.gz FZVBTOYUXKRLRO-KFWWJZLASA-N -1 1 384.488 1.624 20 0 GDADMM C[C@H]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001576170591 949721603 /nfs/dbraw/zinc/72/16/03/949721603.db2.gz MCUYIXBSXXWLPA-BYNSBNAKSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001576170591 949721617 /nfs/dbraw/zinc/72/16/17/949721617.db2.gz MCUYIXBSXXWLPA-BYNSBNAKSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H]1CCCN(C(=O)COCC2CC2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576170730 949734351 /nfs/dbraw/zinc/73/43/51/949734351.db2.gz NRGFLZRUPBZPRG-SWLSCSKDSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H]1CCCN(C(=O)COCC2CC2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576170730 949734361 /nfs/dbraw/zinc/73/43/61/949734361.db2.gz NRGFLZRUPBZPRG-SWLSCSKDSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](CC(=O)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1)c1ccco1 ZINC001574479328 949735034 /nfs/dbraw/zinc/73/50/34/949735034.db2.gz DSGRIEQKJXDASS-LBPRGKRZSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@@H](CC(=O)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1)c1ccco1 ZINC001574479328 949735046 /nfs/dbraw/zinc/73/50/46/949735046.db2.gz DSGRIEQKJXDASS-LBPRGKRZSA-N -1 1 382.428 1.846 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCC1(F)F ZINC001573818679 949739713 /nfs/dbraw/zinc/73/97/13/949739713.db2.gz OACMYJHTFHFDLP-MWLCHTKSSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCC1(F)F ZINC001573818679 949739726 /nfs/dbraw/zinc/73/97/26/949739726.db2.gz OACMYJHTFHFDLP-MWLCHTKSSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@@H]1[C@H](NC(=O)Cc2cccs2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575882033 949749251 /nfs/dbraw/zinc/74/92/51/949749251.db2.gz FRMWKBVFPAZEOY-DGCLKSJQSA-N -1 1 384.469 1.434 20 0 GDADMM C[C@@H](CC(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1)[C@@H]1CCCO1 ZINC001574480835 949755892 /nfs/dbraw/zinc/75/58/92/949755892.db2.gz KEKGCTMDNALWGK-WFASDCNBSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H](CC(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1)[C@@H]1CCCO1 ZINC001574480835 949755904 /nfs/dbraw/zinc/75/59/04/949755904.db2.gz KEKGCTMDNALWGK-WFASDCNBSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574481019 949765401 /nfs/dbraw/zinc/76/54/01/949765401.db2.gz MCUJIEJCWGYVHR-GJZGRUSLSA-N -1 1 392.467 1.533 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N1CCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001574137870 949771627 /nfs/dbraw/zinc/77/16/27/949771627.db2.gz YMAWZRJUWPUSTE-ZIAGYGMSSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N1CCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001574137870 949771650 /nfs/dbraw/zinc/77/16/50/949771650.db2.gz YMAWZRJUWPUSTE-ZIAGYGMSSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@@H](CC(=O)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1)C(F)(F)F ZINC001574481523 949783841 /nfs/dbraw/zinc/78/38/41/949783841.db2.gz QUEYEJAZYMKYPN-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](CC(=O)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1)C(F)(F)F ZINC001574481523 949783853 /nfs/dbraw/zinc/78/38/53/949783853.db2.gz QUEYEJAZYMKYPN-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H]1CCCN(C(=O)CCCF)[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576172101 949789820 /nfs/dbraw/zinc/78/98/20/949789820.db2.gz UYFIELCQPZNWJW-OLZOCXBDSA-N -1 1 376.440 1.257 20 0 GDADMM C[C@H]1CCCN(C(=O)CCC2CC2)[C@@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576172116 949796506 /nfs/dbraw/zinc/79/65/06/949796506.db2.gz VGFFLRFIXSABNM-DZGCQCFKSA-N -1 1 384.488 1.698 20 0 GDADMM CC1(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(c2cncc(-c4nnn[n-]4)n2)C3)CC=CC1 ZINC001575560823 949797708 /nfs/dbraw/zinc/79/77/08/949797708.db2.gz VEBJODSVSBGHIK-MJBXVCDLSA-N -1 1 380.456 1.487 20 0 GDADMM CC1(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(c2cncc(-c4nn[n-]n4)n2)C3)CC=CC1 ZINC001575560823 949797722 /nfs/dbraw/zinc/79/77/22/949797722.db2.gz VEBJODSVSBGHIK-MJBXVCDLSA-N -1 1 380.456 1.487 20 0 GDADMM C[C@@H]1CCCC[C@@H]1C(=O)N1CCC(N(C)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576172322 949799449 /nfs/dbraw/zinc/79/94/49/949799449.db2.gz TZISXXTZNIMBFS-HIFRSBDPSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)c1ccco1 ZINC001574481735 949800755 /nfs/dbraw/zinc/80/07/55/949800755.db2.gz UMXJFEMLNIMKHO-STQMWFEESA-N -1 1 382.428 1.704 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)c1ccco1 ZINC001574481735 949800777 /nfs/dbraw/zinc/80/07/77/949800777.db2.gz UMXJFEMLNIMKHO-STQMWFEESA-N -1 1 382.428 1.704 20 0 GDADMM CC1(C(=O)N[C@@H]2CCC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CC(F)(F)C1 ZINC001575561416 949802984 /nfs/dbraw/zinc/80/29/84/949802984.db2.gz AFZIZSHHUXQTQN-WDEREUQCSA-N -1 1 392.414 1.931 20 0 GDADMM CC1(C(=O)N[C@@H]2CCC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CC(F)(F)C1 ZINC001575561416 949803003 /nfs/dbraw/zinc/80/30/03/949803003.db2.gz AFZIZSHHUXQTQN-WDEREUQCSA-N -1 1 392.414 1.931 20 0 GDADMM C[C@@H]1CCCC[C@H]1C(=O)N(C)CCOCCNc1nccnc1-c1nnn[n-]1 ZINC001576172433 949807674 /nfs/dbraw/zinc/80/76/74/949807674.db2.gz UVCSBZNKHWVFDC-ZIAGYGMSSA-N -1 1 388.476 1.370 20 0 GDADMM C[C@@H]1CCCC[C@H]1C(=O)N(C)CCOCCNc1nccnc1-c1nn[n-]n1 ZINC001576172433 949807697 /nfs/dbraw/zinc/80/76/97/949807697.db2.gz UVCSBZNKHWVFDC-ZIAGYGMSSA-N -1 1 388.476 1.370 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2cc(Cl)c[nH]2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575883502 949822003 /nfs/dbraw/zinc/82/20/03/949822003.db2.gz GARIBJVBUWWQHM-MWLCHTKSSA-N -1 1 387.835 1.426 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2cc(Cl)c[nH]2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575883502 949822033 /nfs/dbraw/zinc/82/20/33/949822033.db2.gz GARIBJVBUWWQHM-MWLCHTKSSA-N -1 1 387.835 1.426 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccc(F)cn1 ZINC001573823452 949830988 /nfs/dbraw/zinc/83/09/88/949830988.db2.gz XCNJJJYBMFEAJZ-GFCCVEGCSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccc(F)cn1 ZINC001573823452 949831004 /nfs/dbraw/zinc/83/10/04/949831004.db2.gz XCNJJJYBMFEAJZ-GFCCVEGCSA-N -1 1 385.407 1.447 20 0 GDADMM CC1(C(=O)N[C@@H]2CC[C@@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@@H]3C2)CCC1 ZINC001575563095 949838554 /nfs/dbraw/zinc/83/85/54/949838554.db2.gz JEAFWPAHYCRFAD-HZSPNIEDSA-N -1 1 382.472 1.568 20 0 GDADMM CC1(C(=O)N[C@@H]2CC[C@@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@@H]3C2)CCC1 ZINC001575563095 949838569 /nfs/dbraw/zinc/83/85/69/949838569.db2.gz JEAFWPAHYCRFAD-HZSPNIEDSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](CNC(=O)[C@H]1C[C@@H]1C(F)F)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574966313 949843120 /nfs/dbraw/zinc/84/31/20/949843120.db2.gz WYWJGUGHKQUANS-SRQIZXRXSA-N -1 1 377.808 1.794 20 0 GDADMM C[C@H](CNC(=O)[C@H]1C[C@@H]1C(F)F)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574966313 949843142 /nfs/dbraw/zinc/84/31/42/949843142.db2.gz WYWJGUGHKQUANS-SRQIZXRXSA-N -1 1 377.808 1.794 20 0 GDADMM C[C@@H](CN(C)C(=O)CCOc1ccccc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574722760 949845123 /nfs/dbraw/zinc/84/51/23/949845123.db2.gz XDPOICSCDZJESY-ZDUSSCGKSA-N -1 1 382.428 1.385 20 0 GDADMM C[C@@H](CN(C)C(=O)CCOc1ccccc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574722760 949845139 /nfs/dbraw/zinc/84/51/39/949845139.db2.gz XDPOICSCDZJESY-ZDUSSCGKSA-N -1 1 382.428 1.385 20 0 GDADMM CC(C)(C)C1CC(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001573823957 949848887 /nfs/dbraw/zinc/84/88/87/949848887.db2.gz BZFQCKRSKYLENH-RUXDESIVSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](CC(=O)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1)C(F)(F)F ZINC001574483954 949849630 /nfs/dbraw/zinc/84/96/30/949849630.db2.gz AKEBGZONXWBTKY-SNVBAGLBSA-N -1 1 384.366 1.284 20 0 GDADMM C[C@H](CC(=O)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1)C(F)(F)F ZINC001574483954 949849652 /nfs/dbraw/zinc/84/96/52/949849652.db2.gz AKEBGZONXWBTKY-SNVBAGLBSA-N -1 1 384.366 1.284 20 0 GDADMM CC(C)(C)C1CC(C(=O)NC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C2CC2)C1 ZINC001573824497 949851573 /nfs/dbraw/zinc/85/15/73/949851573.db2.gz GNKWZKFXNJCTMU-RUXDESIVSA-N -1 1 384.488 1.458 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001574484194 949866489 /nfs/dbraw/zinc/86/64/89/949866489.db2.gz FFLOFXNOGJPUDZ-ZJUUUORDSA-N -1 1 384.366 1.070 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccns2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576178004 949868638 /nfs/dbraw/zinc/86/86/38/949868638.db2.gz AMHTWSFGLUQWFA-CMPLNLGQSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccns2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576178004 949868664 /nfs/dbraw/zinc/86/86/64/949868664.db2.gz AMHTWSFGLUQWFA-CMPLNLGQSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccco2)[C@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001576177946 949873069 /nfs/dbraw/zinc/87/30/69/949873069.db2.gz ABTSSLMCVDFZPD-OCCSQVGLSA-N -1 1 382.428 1.993 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccco2)[C@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001576177946 949873092 /nfs/dbraw/zinc/87/30/92/949873092.db2.gz ABTSSLMCVDFZPD-OCCSQVGLSA-N -1 1 382.428 1.993 20 0 GDADMM CC1(C(=O)N[C@H]2CCC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)CC(F)(F)C1 ZINC001575565211 949876821 /nfs/dbraw/zinc/87/68/21/949876821.db2.gz UTXSHTLOCCZFCJ-MNOVXSKESA-N -1 1 392.414 1.931 20 0 GDADMM CC1(C(=O)N[C@H]2CCC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)CC(F)(F)C1 ZINC001575565211 949876833 /nfs/dbraw/zinc/87/68/33/949876833.db2.gz UTXSHTLOCCZFCJ-MNOVXSKESA-N -1 1 392.414 1.931 20 0 GDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](C)NC(=O)COc1ccc(F)cc1 ZINC001575284284 949900883 /nfs/dbraw/zinc/90/08/83/949900883.db2.gz TYLVVKJKZKAKJF-MNOVXSKESA-N -1 1 386.391 1.180 20 0 GDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](C)NC(=O)COc1ccc(F)cc1 ZINC001575284284 949900898 /nfs/dbraw/zinc/90/08/98/949900898.db2.gz TYLVVKJKZKAKJF-MNOVXSKESA-N -1 1 386.391 1.180 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)C(F)(F)F ZINC001574484897 949909785 /nfs/dbraw/zinc/90/97/85/949909785.db2.gz RBCPIMPTGNIMSG-VHSXEESVSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)C(F)(F)F ZINC001574484897 949909801 /nfs/dbraw/zinc/90/98/01/949909801.db2.gz RBCPIMPTGNIMSG-VHSXEESVSA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)(C)/C=C/C(=O)NCc1ccc(CNc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001573827116 949914881 /nfs/dbraw/zinc/91/48/81/949914881.db2.gz JTVKRPVZLNKICW-CSKARUKUSA-N -1 1 392.467 1.909 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001574485195 949921667 /nfs/dbraw/zinc/92/16/67/949921667.db2.gz UXUAQXIQVLFCSW-STQMWFEESA-N -1 1 382.428 1.846 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001574485195 949921695 /nfs/dbraw/zinc/92/16/95/949921695.db2.gz UXUAQXIQVLFCSW-STQMWFEESA-N -1 1 382.428 1.846 20 0 GDADMM C[C@H]1CCN(C(=O)C2(F)CCCC2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576179617 949924426 /nfs/dbraw/zinc/92/44/26/949924426.db2.gz BEOHPDRNRZWSDJ-STQMWFEESA-N -1 1 388.451 1.836 20 0 GDADMM C[C@H]1CCN(C(=O)C2(F)CCCC2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576179617 949924447 /nfs/dbraw/zinc/92/44/47/949924447.db2.gz BEOHPDRNRZWSDJ-STQMWFEESA-N -1 1 388.451 1.836 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574145571 949929351 /nfs/dbraw/zinc/92/93/51/949929351.db2.gz UMSRWKDSXSCQQA-MCIONIFRSA-N -1 1 388.476 1.557 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574145571 949929370 /nfs/dbraw/zinc/92/93/70/949929370.db2.gz UMSRWKDSXSCQQA-MCIONIFRSA-N -1 1 388.476 1.557 20 0 GDADMM CC1(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2(C)C)CCCC1 ZINC001575570111 949932011 /nfs/dbraw/zinc/93/20/11/949932011.db2.gz PNNTUVVGDCLNLB-CYBMUJFWSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccccn2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576180076 949937661 /nfs/dbraw/zinc/93/76/61/949937661.db2.gz HDZJOZGNPFIBRL-WFASDCNBSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccccn2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576180076 949937681 /nfs/dbraw/zinc/93/76/81/949937681.db2.gz HDZJOZGNPFIBRL-WFASDCNBSA-N -1 1 379.428 1.405 20 0 GDADMM CC(C)(C)/C=C/C(=O)N[C@]12CCC[C@@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001573828734 949939673 /nfs/dbraw/zinc/93/96/73/949939673.db2.gz TUZRDUKYLJBSBC-RTRCTCDHSA-N -1 1 382.472 1.877 20 0 GDADMM C[C@H](NC(=O)CN(C)c1ccccc1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575285264 949944341 /nfs/dbraw/zinc/94/43/41/949944341.db2.gz LYZIXGXODOJQMR-STQMWFEESA-N -1 1 381.444 1.098 20 0 GDADMM C[C@H](NC(=O)CN(C)c1ccccc1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575285264 949944362 /nfs/dbraw/zinc/94/43/62/949944362.db2.gz LYZIXGXODOJQMR-STQMWFEESA-N -1 1 381.444 1.098 20 0 GDADMM C[C@H](CN(C)C(=O)COCC1CC1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574726919 949947967 /nfs/dbraw/zinc/94/79/67/949947967.db2.gz MKWZQSNTQMJPEB-MRVPVSSYSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](CN(C)C(=O)COCC1CC1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574726920 949950601 /nfs/dbraw/zinc/95/06/01/949950601.db2.gz MKWZQSNTQMJPEB-QMMMGPOBSA-N -1 1 385.881 1.662 20 0 GDADMM CC(C)(C)CC(=O)N1CC[C@@]2(C1)CCCN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001573829687 949958988 /nfs/dbraw/zinc/95/89/88/949958988.db2.gz BJMXGQWAPGGHJP-IBGZPJMESA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)(C)CC(=O)N1CC[C@@]2(C1)CCCN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001573829687 949959006 /nfs/dbraw/zinc/95/90/06/949959006.db2.gz BJMXGQWAPGGHJP-IBGZPJMESA-N -1 1 384.488 1.912 20 0 GDADMM C[C@H](CC(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1ccccc1 ZINC001574489361 949961607 /nfs/dbraw/zinc/96/16/07/949961607.db2.gz JEBZIVGGZJKRQQ-CJNGLKHVSA-N -1 1 392.467 1.579 20 0 GDADMM CC1(C(=O)N[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)CC2(C)C)CC(F)(F)C1 ZINC001575572280 949970825 /nfs/dbraw/zinc/97/08/25/949970825.db2.gz DYMLDFTULZETPF-NSHDSACASA-N -1 1 392.414 1.423 20 0 GDADMM CC1(C(=O)N[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)CC2(C)C)CC(F)(F)C1 ZINC001575572280 949970842 /nfs/dbraw/zinc/97/08/42/949970842.db2.gz DYMLDFTULZETPF-NSHDSACASA-N -1 1 392.414 1.423 20 0 GDADMM C[C@H]1CCN(C(=O)C2(CCF)CC2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576180885 949974215 /nfs/dbraw/zinc/97/42/15/949974215.db2.gz FXSCSHDRBUPMPP-STQMWFEESA-N -1 1 388.451 1.693 20 0 GDADMM C[C@H]1CCN(C(=O)C2(CCF)CC2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576180885 949974230 /nfs/dbraw/zinc/97/42/30/949974230.db2.gz FXSCSHDRBUPMPP-STQMWFEESA-N -1 1 388.451 1.693 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)n1cccc1 ZINC001574490208 949983073 /nfs/dbraw/zinc/98/30/73/949983073.db2.gz OOMRBKKXPYFDRS-OFQRWUPVSA-N -1 1 393.455 1.147 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)n1cccc1 ZINC001574490208 949983095 /nfs/dbraw/zinc/98/30/95/949983095.db2.gz OOMRBKKXPYFDRS-OFQRWUPVSA-N -1 1 393.455 1.147 20 0 GDADMM CC1(C(=O)N[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CC2(C)C)CC(F)(F)C1 ZINC001575573992 950007676 /nfs/dbraw/zinc/00/76/76/950007676.db2.gz QSZUEDKRUGTZOY-NSHDSACASA-N -1 1 392.414 1.423 20 0 GDADMM CC1(C(=O)N[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CC2(C)C)CC(F)(F)C1 ZINC001575573992 950007699 /nfs/dbraw/zinc/00/76/99/950007699.db2.gz QSZUEDKRUGTZOY-NSHDSACASA-N -1 1 392.414 1.423 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2ccc(F)cc2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575891594 950019889 /nfs/dbraw/zinc/01/98/89/950019889.db2.gz LSAGFBRXWJRWRO-BXUZGUMPSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2ccc(F)cc2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575891594 950019905 /nfs/dbraw/zinc/01/99/05/950019905.db2.gz LSAGFBRXWJRWRO-BXUZGUMPSA-N -1 1 382.403 1.583 20 0 GDADMM CC1(C)CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1NC(=O)C1(C)CCCCC1 ZINC001575574578 950024541 /nfs/dbraw/zinc/02/45/41/950024541.db2.gz WXVVIXMQDIQWFD-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1NC(=O)C1(C)CCCCC1 ZINC001575574578 950024564 /nfs/dbraw/zinc/02/45/64/950024564.db2.gz WXVVIXMQDIQWFD-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccccc1 ZINC001574491218 950028223 /nfs/dbraw/zinc/02/82/23/950028223.db2.gz BEFUEILJMAUQAE-ZFWWWQNUSA-N -1 1 378.440 1.545 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccccc1 ZINC001574491218 950028246 /nfs/dbraw/zinc/02/82/46/950028246.db2.gz BEFUEILJMAUQAE-ZFWWWQNUSA-N -1 1 378.440 1.545 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ccc(F)cc1F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574730234 950028184 /nfs/dbraw/zinc/02/81/84/950028184.db2.gz QCFRXBKCFBHAGO-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ccc(F)cc1F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574730234 950028203 /nfs/dbraw/zinc/02/82/03/950028203.db2.gz QCFRXBKCFBHAGO-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574491794 950043492 /nfs/dbraw/zinc/04/34/92/950043492.db2.gz GDCMJRAZPKWVBY-ZJUUUORDSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CCCCC1 ZINC001574491759 950044279 /nfs/dbraw/zinc/04/42/79/950044279.db2.gz FNQPPPRJLPQLDT-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CCCCC1 ZINC001574491759 950044297 /nfs/dbraw/zinc/04/42/97/950044297.db2.gz FNQPPPRJLPQLDT-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cn[nH]c2)[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001576182358 950048310 /nfs/dbraw/zinc/04/83/10/950048310.db2.gz ODARVYTVNGTZFL-YPMHNXCESA-N -1 1 382.432 1.123 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cn[nH]c2)[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001576182358 950048334 /nfs/dbraw/zinc/04/83/34/950048334.db2.gz ODARVYTVNGTZFL-YPMHNXCESA-N -1 1 382.432 1.123 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001574492388 950083788 /nfs/dbraw/zinc/08/37/88/950083788.db2.gz AMYOCWCSDWXSMN-ZIAGYGMSSA-N -1 1 380.456 1.791 20 0 GDADMM C[C@]1(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)nn3)CCCC2)CCCOC1 ZINC001575582286 950112187 /nfs/dbraw/zinc/11/21/87/950112187.db2.gz HSNQVGZASJCZDG-KRWDZBQOSA-N -1 1 386.460 1.314 20 0 GDADMM C[C@]1(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)nn3)CCCC2)CCCOC1 ZINC001575582286 950112201 /nfs/dbraw/zinc/11/22/01/950112201.db2.gz HSNQVGZASJCZDG-KRWDZBQOSA-N -1 1 386.460 1.314 20 0 GDADMM CC1(C(=O)NC[C@@H]2[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)CCCCC1 ZINC001575582526 950117727 /nfs/dbraw/zinc/11/77/27/950117727.db2.gz FCYRYVJFFZRXEB-ZSOGYDGISA-N -1 1 382.472 1.426 20 0 GDADMM CC1(C(=O)NC[C@@H]2[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)CCCCC1 ZINC001575582526 950117745 /nfs/dbraw/zinc/11/77/45/950117745.db2.gz FCYRYVJFFZRXEB-ZSOGYDGISA-N -1 1 382.472 1.426 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccsc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574733896 950119126 /nfs/dbraw/zinc/11/91/26/950119126.db2.gz GICIZCNKFXNLPU-WCFLWFBJSA-N -1 1 384.469 1.781 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccsc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574733896 950119137 /nfs/dbraw/zinc/11/91/37/950119137.db2.gz GICIZCNKFXNLPU-WCFLWFBJSA-N -1 1 384.469 1.781 20 0 GDADMM CC(C)(C)CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1 ZINC001573838870 950120176 /nfs/dbraw/zinc/12/01/76/950120176.db2.gz JVIXYHQQTUTVND-STQMWFEESA-N -1 1 384.488 1.909 20 0 GDADMM CC(C)(C)CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1 ZINC001573838870 950120193 /nfs/dbraw/zinc/12/01/93/950120193.db2.gz JVIXYHQQTUTVND-STQMWFEESA-N -1 1 384.488 1.909 20 0 GDADMM CC1(C(=O)NCC2(O)CN(Cc3ccc(-c4nn[n-]n4)s3)C2)CCCC1 ZINC001575582625 950125972 /nfs/dbraw/zinc/12/59/72/950125972.db2.gz LOZAPEBDNZDANK-UHFFFAOYSA-N -1 1 376.486 1.171 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574734241 950132154 /nfs/dbraw/zinc/13/21/54/950132154.db2.gz LCHFQHOQROPRBQ-VHDGCEQUSA-N -1 1 378.440 1.141 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cc[nH]c2)[C@@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576184585 950132859 /nfs/dbraw/zinc/13/28/59/950132859.db2.gz WRXUUKJMPLUXJE-GXTWGEPZSA-N -1 1 381.444 1.150 20 0 GDADMM C[C@]1(C(=O)NCC2(Nc3nc(Cl)c(-c4nnn[n-]4)s3)CC2)CCOC1 ZINC001575583203 950142448 /nfs/dbraw/zinc/14/24/48/950142448.db2.gz PGRYBZUPHQDEOS-ZDUSSCGKSA-N -1 1 383.865 1.464 20 0 GDADMM C[C@]1(C(=O)NCC2(Nc3nc(Cl)c(-c4nn[n-]n4)s3)CC2)CCOC1 ZINC001575583203 950142468 /nfs/dbraw/zinc/14/24/68/950142468.db2.gz PGRYBZUPHQDEOS-ZDUSSCGKSA-N -1 1 383.865 1.464 20 0 GDADMM C[C@@H](CC(=O)NC1CC(CNc2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001574494020 950149355 /nfs/dbraw/zinc/14/93/55/950149355.db2.gz WSMZBFMNVNHGLW-HSBZDZAISA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](CC(=O)NC1CC(CNc2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001574494020 950149373 /nfs/dbraw/zinc/14/93/73/950149373.db2.gz WSMZBFMNVNHGLW-HSBZDZAISA-N -1 1 381.444 1.416 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1ccc(=O)[nH]c1 ZINC001574155020 950182304 /nfs/dbraw/zinc/18/23/04/950182304.db2.gz IAGHENCXIVHZMV-GFCCVEGCSA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ccc(=O)[nH]c1 ZINC001574155020 950182318 /nfs/dbraw/zinc/18/23/18/950182318.db2.gz IAGHENCXIVHZMV-GFCCVEGCSA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)[C@H](CNC(=O)C[C@H](C)c1ccco1)Nc1nccnc1-c1nnn[n-]1 ZINC001574494756 950184093 /nfs/dbraw/zinc/18/40/93/950184093.db2.gz NSMWXFUNEQIUFU-STQMWFEESA-N -1 1 384.444 1.996 20 0 GDADMM CC(C)[C@H](CNC(=O)C[C@H](C)c1ccco1)Nc1nccnc1-c1nn[n-]n1 ZINC001574494756 950184108 /nfs/dbraw/zinc/18/41/08/950184108.db2.gz NSMWXFUNEQIUFU-STQMWFEESA-N -1 1 384.444 1.996 20 0 GDADMM CC1(C(=O)NC[C@H]2CCCCN2c2ccc(-c3nnn[n-]3)nn2)CC(F)(F)C1 ZINC001575585462 950195062 /nfs/dbraw/zinc/19/50/62/950195062.db2.gz ZUEVJRNFWTVVOW-LLVKDONJSA-N -1 1 392.414 1.567 20 0 GDADMM CC1(C(=O)NC[C@H]2CCCCN2c2ccc(-c3nn[n-]n3)nn2)CC(F)(F)C1 ZINC001575585462 950195069 /nfs/dbraw/zinc/19/50/69/950195069.db2.gz ZUEVJRNFWTVVOW-LLVKDONJSA-N -1 1 392.414 1.567 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccncc2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576191659 950203058 /nfs/dbraw/zinc/20/30/58/950203058.db2.gz HQTUGVFDQZJPRE-TZMCWYRMSA-N -1 1 379.428 1.262 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccncc2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576191659 950203079 /nfs/dbraw/zinc/20/30/79/950203079.db2.gz HQTUGVFDQZJPRE-TZMCWYRMSA-N -1 1 379.428 1.262 20 0 GDADMM C[C@@H](CNC(=O)c1c[nH]nc1C(C)(C)C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574983288 950208003 /nfs/dbraw/zinc/20/80/03/950208003.db2.gz MDSLPKCBMFIUAD-SNVBAGLBSA-N -1 1 384.448 1.155 20 0 GDADMM C[C@@H](CNC(=O)c1c[nH]nc1C(C)(C)C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574983288 950208026 /nfs/dbraw/zinc/20/80/26/950208026.db2.gz MDSLPKCBMFIUAD-SNVBAGLBSA-N -1 1 384.448 1.155 20 0 GDADMM CC(C)(C)CCCn1c(=O)c(-c2nn[n-]n2)cn(CC(=O)OC(C)(C)C)c1=O ZINC001573845307 950219101 /nfs/dbraw/zinc/21/91/01/950219101.db2.gz VXTPIWWQDYUIEQ-UHFFFAOYSA-N -1 1 392.460 1.358 20 0 GDADMM CC1(C(=O)NC[C@@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)CC(F)(F)C1 ZINC001575588769 950251494 /nfs/dbraw/zinc/25/14/94/950251494.db2.gz RWWHUOFQGQUDNO-JTQLQIEISA-N -1 1 378.387 1.177 20 0 GDADMM CC1(C(=O)NCC2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)CCCCC1 ZINC001575588302 950251682 /nfs/dbraw/zinc/25/16/82/950251682.db2.gz QNLHRIOFRUZHAT-UHFFFAOYSA-N -1 1 384.488 1.960 20 0 GDADMM CC1(C(=O)NCC2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)CCCCC1 ZINC001575588302 950251697 /nfs/dbraw/zinc/25/16/97/950251697.db2.gz QNLHRIOFRUZHAT-UHFFFAOYSA-N -1 1 384.488 1.960 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCOCC1)C1CC1 ZINC001574498516 950280195 /nfs/dbraw/zinc/28/01/95/950280195.db2.gz OLMKZDZMHYEXLT-LBPRGKRZSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCOCC1)C1CC1 ZINC001574498516 950280215 /nfs/dbraw/zinc/28/02/15/950280215.db2.gz OLMKZDZMHYEXLT-LBPRGKRZSA-N -1 1 386.460 1.170 20 0 GDADMM CC(C)(C)OC(=O)CCC(=O)Nc1c(-c2nn[n-]n2)nnn1Cc1ccccc1 ZINC001573851117 950284195 /nfs/dbraw/zinc/28/41/95/950284195.db2.gz RRACHCBQRLJARA-UHFFFAOYSA-N -1 1 398.427 1.567 20 0 GDADMM C[C@H]1CCN(C(=O)c2cccs2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576193338 950297406 /nfs/dbraw/zinc/29/74/06/950297406.db2.gz SZFXISYRYKXFGE-NWDGAFQWSA-N -1 1 384.469 1.929 20 0 GDADMM C[C@H]1CCN(C(=O)c2cccs2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576193338 950297421 /nfs/dbraw/zinc/29/74/21/950297421.db2.gz SZFXISYRYKXFGE-NWDGAFQWSA-N -1 1 384.469 1.929 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@H](C(=O)Nc2n[nH]cc2-c2nnn[n-]2)CC1 ZINC001573852089 950304523 /nfs/dbraw/zinc/30/45/23/950304523.db2.gz CKIVFLIRVORGIM-JTQLQIEISA-N -1 1 376.421 1.566 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@H](C(=O)Nc2n[nH]cc2-c2nn[n-]n2)CC1 ZINC001573852089 950304545 /nfs/dbraw/zinc/30/45/45/950304545.db2.gz CKIVFLIRVORGIM-JTQLQIEISA-N -1 1 376.421 1.566 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCC1)c1ccccc1 ZINC001574499952 950307161 /nfs/dbraw/zinc/30/71/61/950307161.db2.gz XPMIKHDONOIREI-AWEZNQCLSA-N -1 1 392.467 1.723 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C=Cc1ccco1 ZINC001574160081 950324980 /nfs/dbraw/zinc/32/49/80/950324980.db2.gz KTYSCICDBRYGPN-CFHLNLSMSA-N -1 1 382.428 1.906 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C=Cc1ccco1 ZINC001574160081 950324998 /nfs/dbraw/zinc/32/49/98/950324998.db2.gz KTYSCICDBRYGPN-CFHLNLSMSA-N -1 1 382.428 1.906 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001574502276 950371167 /nfs/dbraw/zinc/37/11/67/950371167.db2.gz LJEZVCNDWAZEQB-ZBFHGGJFSA-N -1 1 392.467 1.936 20 0 GDADMM CC(C)CC1(C(=O)N2C[C@@H](C)[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCC1 ZINC001574162457 950378932 /nfs/dbraw/zinc/37/89/32/950378932.db2.gz AUHSHWMIWNUTKB-ZIAGYGMSSA-N -1 1 384.488 1.554 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CSC(C)C ZINC001574162510 950384261 /nfs/dbraw/zinc/38/42/61/950384261.db2.gz CCFAJYYKDFCLRY-LBPRGKRZSA-N -1 1 378.506 1.741 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CSC(C)C ZINC001574162510 950384277 /nfs/dbraw/zinc/38/42/77/950384277.db2.gz CCFAJYYKDFCLRY-LBPRGKRZSA-N -1 1 378.506 1.741 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc(C(C)(C)C)n[nH]1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574745735 950387385 /nfs/dbraw/zinc/38/73/85/950387385.db2.gz JWUOVISCIRUXSG-SNVBAGLBSA-N -1 1 384.448 1.250 20 0 GDADMM CC(C)(C)OC(=O)N1CCO[C@@](C)(CNc2ncncc2-c2nn[n-]n2)C1 ZINC001573856541 950389171 /nfs/dbraw/zinc/38/91/71/950389171.db2.gz CBCNTJONJDYUKT-INIZCTEOSA-N -1 1 376.421 1.095 20 0 GDADMM CC1(C(=O)NCC[C@@H](Cc2ccccc2)Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575596916 950395319 /nfs/dbraw/zinc/39/53/19/950395319.db2.gz WENSMWHTJRCLDQ-HNNXBMFYSA-N -1 1 392.467 1.408 20 0 GDADMM CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573857037 950401025 /nfs/dbraw/zinc/40/10/25/950401025.db2.gz LHYUEIUDWMPGII-RNFRBKRXSA-N -1 1 387.853 1.369 20 0 GDADMM CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573857037 950401041 /nfs/dbraw/zinc/40/10/41/950401041.db2.gz LHYUEIUDWMPGII-RNFRBKRXSA-N -1 1 387.853 1.369 20 0 GDADMM CC(C)CC1(C(=O)N2CC[C@@H](N(C)c3nccnc3-c3nnn[n-]3)C2)CCC1 ZINC001574162833 950406164 /nfs/dbraw/zinc/40/61/64/950406164.db2.gz JVLHVEZQOULWHN-CQSZACIVSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CC1(C(=O)N2CC[C@@H](N(C)c3nccnc3-c3nn[n-]n3)C2)CCC1 ZINC001574162833 950406174 /nfs/dbraw/zinc/40/61/74/950406174.db2.gz JVLHVEZQOULWHN-CQSZACIVSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CCc1ccoc1 ZINC001574162922 950410660 /nfs/dbraw/zinc/41/06/60/950410660.db2.gz NEOFPCKLKSGPQF-CQSZACIVSA-N -1 1 384.444 1.825 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CCc1ccoc1 ZINC001574162922 950410674 /nfs/dbraw/zinc/41/06/74/950410674.db2.gz NEOFPCKLKSGPQF-CQSZACIVSA-N -1 1 384.444 1.825 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CCc1ccoc1 ZINC001574162921 950411214 /nfs/dbraw/zinc/41/12/14/950411214.db2.gz NEOFPCKLKSGPQF-AWEZNQCLSA-N -1 1 384.444 1.825 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CCc1ccoc1 ZINC001574162921 950411225 /nfs/dbraw/zinc/41/12/25/950411225.db2.gz NEOFPCKLKSGPQF-AWEZNQCLSA-N -1 1 384.444 1.825 20 0 GDADMM C[C@]1(C(=O)NC[C@]23CCC[C@H]2N(c2cncc(-c4nnn[n-]4)n2)CC3)C=CCC1 ZINC001575597375 950411904 /nfs/dbraw/zinc/41/19/04/950411904.db2.gz PUHPFFMKGKINBF-UIAACRFSSA-N -1 1 394.483 1.878 20 0 GDADMM C[C@]1(C(=O)NC[C@]23CCC[C@H]2N(c2cncc(-c4nn[n-]n4)n2)CC3)C=CCC1 ZINC001575597375 950411916 /nfs/dbraw/zinc/41/19/16/950411916.db2.gz PUHPFFMKGKINBF-UIAACRFSSA-N -1 1 394.483 1.878 20 0 GDADMM CC(C)(C)OC(=O)NC[C@H](NC(=O)c1coc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001573860012 950414266 /nfs/dbraw/zinc/41/42/66/950414266.db2.gz AAGQIEXBLYXVJY-VIFPVBQESA-N -1 1 390.322 1.645 20 0 GDADMM CC(C)(C)OC(=O)NC[C@H](NC(=O)c1coc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001573860012 950414275 /nfs/dbraw/zinc/41/42/75/950414275.db2.gz AAGQIEXBLYXVJY-VIFPVBQESA-N -1 1 390.322 1.645 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H](C)C(C)(F)F ZINC001574162955 950414745 /nfs/dbraw/zinc/41/47/45/950414745.db2.gz NXXMVLMWTBOYIG-WDEREUQCSA-N -1 1 382.419 1.891 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H](C)C(C)(F)F ZINC001574162955 950414759 /nfs/dbraw/zinc/41/47/59/950414759.db2.gz NXXMVLMWTBOYIG-WDEREUQCSA-N -1 1 382.419 1.891 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)c1ccco1 ZINC001574503687 950418349 /nfs/dbraw/zinc/41/83/49/950418349.db2.gz YSWIKIGGLJSZRF-CHWSQXEVSA-N -1 1 382.428 1.529 20 0 GDADMM CC1(C(=O)NCc2ccc(CNc3nccnc3-c3nnn[n-]3)cc2F)CC1 ZINC001575600082 950435347 /nfs/dbraw/zinc/43/53/47/950435347.db2.gz PRXRBYIEFLJHBG-UHFFFAOYSA-N -1 1 382.403 1.824 20 0 GDADMM CC1(C(=O)NCc2ccc(CNc3nccnc3-c3nn[n-]n3)cc2F)CC1 ZINC001575600082 950435357 /nfs/dbraw/zinc/43/53/57/950435357.db2.gz PRXRBYIEFLJHBG-UHFFFAOYSA-N -1 1 382.403 1.824 20 0 GDADMM C[C@H](CC(=O)N[C@@H](C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C1CC1 ZINC001574506786 950439906 /nfs/dbraw/zinc/43/99/06/950439906.db2.gz FQWOGHGFFKMHDR-OLZOCXBDSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](CC(=O)N[C@@H](C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C1CC1 ZINC001574506786 950439923 /nfs/dbraw/zinc/43/99/23/950439923.db2.gz FQWOGHGFFKMHDR-OLZOCXBDSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)CC1(C(=O)NC[C@H](CO)Nc2cncc(-c3nnn[n-]3)n2)CCCC1 ZINC001574165235 950441968 /nfs/dbraw/zinc/44/19/68/950441968.db2.gz AHOCDOZDJABXHD-CYBMUJFWSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)CC1(C(=O)NC[C@H](CO)Nc2cncc(-c3nn[n-]n3)n2)CCCC1 ZINC001574165235 950441975 /nfs/dbraw/zinc/44/19/75/950441975.db2.gz AHOCDOZDJABXHD-CYBMUJFWSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)(C)OC(=O)NCc1ncc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)s1 ZINC001573861127 950442137 /nfs/dbraw/zinc/44/21/37/950442137.db2.gz UWOBVSSBZPEZRM-UHFFFAOYSA-N -1 1 391.417 1.323 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc2c([nH]1)CCCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001574751029 950447792 /nfs/dbraw/zinc/44/77/92/950447792.db2.gz KFHMUZSDZOOGPJ-NSHDSACASA-N -1 1 381.444 1.436 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc2c([nH]1)CCCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001574751029 950447806 /nfs/dbraw/zinc/44/78/06/950447806.db2.gz KFHMUZSDZOOGPJ-NSHDSACASA-N -1 1 381.444 1.436 20 0 GDADMM C[C@@H](CC(=O)N[C@@H](C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C1CC1 ZINC001574507429 950453206 /nfs/dbraw/zinc/45/32/06/950453206.db2.gz IVXGJXXOQFFLCD-STQMWFEESA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](CC(=O)N[C@@H](C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C1CC1 ZINC001574507429 950453221 /nfs/dbraw/zinc/45/32/21/950453221.db2.gz IVXGJXXOQFFLCD-STQMWFEESA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)CC1(C(=O)NC[C@H]2CCCN2c2cnc(-c3nnn[n-]3)cn2)CCC1 ZINC001574166133 950457505 /nfs/dbraw/zinc/45/75/05/950457505.db2.gz NLGHZFRBZGVDOG-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CC1(C(=O)NC[C@H]2CCCN2c2cnc(-c3nn[n-]n3)cn2)CCC1 ZINC001574166133 950457516 /nfs/dbraw/zinc/45/75/16/950457516.db2.gz NLGHZFRBZGVDOG-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CC(=O)NCC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C)C1CC1 ZINC001574507683 950462474 /nfs/dbraw/zinc/46/24/74/950462474.db2.gz HGVPMQBQACUYAY-UMVBOHGHSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@H](CC(=O)NCC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C)C1CC1 ZINC001574507683 950462490 /nfs/dbraw/zinc/46/24/90/950462490.db2.gz HGVPMQBQACUYAY-UMVBOHGHSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc2c(o1)CCCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574751992 950470098 /nfs/dbraw/zinc/47/00/98/950470098.db2.gz SMDMVUCWHCRGSH-LLVKDONJSA-N -1 1 382.428 1.123 20 0 GDADMM C[C@@H](CC(=O)NCCNc1snc(Cl)c1-c1nnn[n-]1)[C@@H]1CCCO1 ZINC001574508215 950476925 /nfs/dbraw/zinc/47/69/25/950476925.db2.gz KVPFKIVJBHWNIH-IUCAKERBSA-N -1 1 385.881 1.710 20 0 GDADMM C[C@@H](CC(=O)NCCNc1snc(Cl)c1-c1nn[n-]n1)[C@@H]1CCCO1 ZINC001574508215 950476942 /nfs/dbraw/zinc/47/69/42/950476942.db2.gz KVPFKIVJBHWNIH-IUCAKERBSA-N -1 1 385.881 1.710 20 0 GDADMM C[C@]1(C(=O)N[C@H]2CCN(c3nc(Cl)c(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575605733 950478841 /nfs/dbraw/zinc/47/88/41/950478841.db2.gz RCLQXABFBJYQEW-RTHLEPHNSA-N -1 1 383.865 1.098 20 0 GDADMM C[C@]1(C(=O)N[C@H]2CCN(c3nc(Cl)c(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575605733 950478851 /nfs/dbraw/zinc/47/88/51/950478851.db2.gz RCLQXABFBJYQEW-RTHLEPHNSA-N -1 1 383.865 1.098 20 0 GDADMM CC(C)(C)OCC(=O)N1CCC[C@H]2[C@@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001573866943 950519820 /nfs/dbraw/zinc/51/98/20/950519820.db2.gz OEPDQXABWCWNDN-KBPBESRZSA-N -1 1 386.460 1.042 20 0 GDADMM CC(C)(C)OCC(=O)N1CCC[C@H]2[C@@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001573866943 950519838 /nfs/dbraw/zinc/51/98/38/950519838.db2.gz OEPDQXABWCWNDN-KBPBESRZSA-N -1 1 386.460 1.042 20 0 GDADMM CC(C)(C)OCC(=O)N1CCC[C@H]2[C@H]1CCN2c1nccnc1-c1nnn[n-]1 ZINC001573867042 950521451 /nfs/dbraw/zinc/52/14/51/950521451.db2.gz OWFWMRRBYNCHTA-QWHCGFSZSA-N -1 1 386.460 1.042 20 0 GDADMM CC(C)(C)OCC(=O)N1CCC[C@H]2[C@H]1CCN2c1nccnc1-c1nn[n-]n1 ZINC001573867042 950521470 /nfs/dbraw/zinc/52/14/70/950521470.db2.gz OWFWMRRBYNCHTA-QWHCGFSZSA-N -1 1 386.460 1.042 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc2nccnc2c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574753392 950523818 /nfs/dbraw/zinc/52/38/18/950523818.db2.gz MHHSYLYCEKRADQ-LLVKDONJSA-N -1 1 390.411 1.173 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc2nccnc2c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574753392 950523837 /nfs/dbraw/zinc/52/38/37/950523837.db2.gz MHHSYLYCEKRADQ-LLVKDONJSA-N -1 1 390.411 1.173 20 0 GDADMM CC(C)c1ccc(C(=O)N(C)C[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)nc1 ZINC001574753578 950532818 /nfs/dbraw/zinc/53/28/18/950532818.db2.gz PVAGSUQBRXSWTH-LBPRGKRZSA-N -1 1 381.444 1.748 20 0 GDADMM CC(C)c1ccc(C(=O)N(C)C[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)nc1 ZINC001574753578 950532834 /nfs/dbraw/zinc/53/28/34/950532834.db2.gz PVAGSUQBRXSWTH-LBPRGKRZSA-N -1 1 381.444 1.748 20 0 GDADMM CC(C)c1cccc(C(=O)N(C)C[C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)n1 ZINC001574753861 950543192 /nfs/dbraw/zinc/54/31/92/950543192.db2.gz ULBFDAJQDFNWQN-LBPRGKRZSA-N -1 1 381.444 1.170 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@]12CCC[C@@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001573868879 950546803 /nfs/dbraw/zinc/54/68/03/950546803.db2.gz HBORWRPAIIJTGF-SCLBCKFNSA-N -1 1 386.460 1.089 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@]12CCC[C@@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001573868879 950546826 /nfs/dbraw/zinc/54/68/26/950546826.db2.gz HBORWRPAIIJTGF-SCLBCKFNSA-N -1 1 386.460 1.089 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)n1cccc1 ZINC001574510899 950551179 /nfs/dbraw/zinc/55/11/79/950551179.db2.gz DHLPLZUZTKGZJA-MGPQQGTHSA-N -1 1 381.444 1.050 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)n1cccc1 ZINC001574510899 950551195 /nfs/dbraw/zinc/55/11/95/950551195.db2.gz DHLPLZUZTKGZJA-MGPQQGTHSA-N -1 1 381.444 1.050 20 0 GDADMM C[C@@]1(C(=O)Nc2ccc(Oc3ccnc(-c4nnn[n-]4)c3)cc2)CCNC1=O ZINC001575614974 950560157 /nfs/dbraw/zinc/56/01/57/950560157.db2.gz XGZNKAAZFMAPQH-GOSISDBHSA-N -1 1 379.380 1.519 20 0 GDADMM C[C@@]1(C(=O)Nc2ccc(Oc3ccnc(-c4nn[n-]n4)c3)cc2)CCNC1=O ZINC001575614974 950560174 /nfs/dbraw/zinc/56/01/74/950560174.db2.gz XGZNKAAZFMAPQH-GOSISDBHSA-N -1 1 379.380 1.519 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc2cnccc2n1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574754122 950562775 /nfs/dbraw/zinc/56/27/75/950562775.db2.gz YCLQIOSUCVSWTA-LLVKDONJSA-N -1 1 390.411 1.173 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc2cnccc2n1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574754122 950562787 /nfs/dbraw/zinc/56/27/87/950562787.db2.gz YCLQIOSUCVSWTA-LLVKDONJSA-N -1 1 390.411 1.173 20 0 GDADMM CC(C)CCC(=O)N1CCC2(C1)CCN(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001574171865 950567932 /nfs/dbraw/zinc/56/79/32/950567932.db2.gz VEYGJNGRHIOEPH-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)CCC(=O)N1CCC2(C1)CCN(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001574171865 950567946 /nfs/dbraw/zinc/56/79/46/950567946.db2.gz VEYGJNGRHIOEPH-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC1(C)C(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nnn[n-]3)nn2)C1(C)C ZINC001575615607 950569616 /nfs/dbraw/zinc/56/96/16/950569616.db2.gz CVIIOSOXGOTWCT-WXHSDQCUSA-N -1 1 382.472 1.565 20 0 GDADMM CC1(C)C(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nn2)C1(C)C ZINC001575615607 950569638 /nfs/dbraw/zinc/56/96/38/950569638.db2.gz CVIIOSOXGOTWCT-WXHSDQCUSA-N -1 1 382.472 1.565 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C)C(F)(F)F ZINC001574511984 950581145 /nfs/dbraw/zinc/58/11/45/950581145.db2.gz YUOHFACFXYILBA-KXUCPTDWSA-N -1 1 384.366 1.186 20 0 GDADMM CC(C)CCC(=O)N1CCC[C@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001574172664 950582026 /nfs/dbraw/zinc/58/20/26/950582026.db2.gz ALCLWEZGGYJRTK-LJQANCHMSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)CCC(=O)N1CCC[C@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001574172664 950582045 /nfs/dbraw/zinc/58/20/45/950582045.db2.gz ALCLWEZGGYJRTK-LJQANCHMSA-N -1 1 384.488 1.912 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575615873 950582405 /nfs/dbraw/zinc/58/24/05/950582405.db2.gz JQWTUTKMYFJWBD-GFCCVEGCSA-N -1 1 384.488 1.411 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cnc(C2CC2)nc1 ZINC001575918624 950593959 /nfs/dbraw/zinc/59/39/59/950593959.db2.gz DHIJEJLKDYZOGO-GXFFZTMASA-N -1 1 392.427 1.039 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cnc(C2CC2)nc1 ZINC001575918624 950593971 /nfs/dbraw/zinc/59/39/71/950593971.db2.gz DHIJEJLKDYZOGO-GXFFZTMASA-N -1 1 392.427 1.039 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cnc(C2CC2)nc1 ZINC001575918628 950594379 /nfs/dbraw/zinc/59/43/79/950594379.db2.gz DHIJEJLKDYZOGO-ZWNOBZJWSA-N -1 1 392.427 1.039 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cnc(C2CC2)nc1 ZINC001575918628 950594398 /nfs/dbraw/zinc/59/43/98/950594398.db2.gz DHIJEJLKDYZOGO-ZWNOBZJWSA-N -1 1 392.427 1.039 20 0 GDADMM CC1(C)C(C(=O)NC[C@H]2CCCCN2c2nccnc2-c2nnn[n-]2)C1(C)C ZINC001575617635 950603572 /nfs/dbraw/zinc/60/35/72/950603572.db2.gz DSDZYTBDMDQCER-GFCCVEGCSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C(C(=O)NC[C@H]2CCCCN2c2nccnc2-c2nn[n-]n2)C1(C)C ZINC001575617635 950603579 /nfs/dbraw/zinc/60/35/79/950603579.db2.gz DSDZYTBDMDQCER-GFCCVEGCSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C(C(=O)N2C[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]3C2)C1(C)C ZINC001575617414 950604864 /nfs/dbraw/zinc/60/48/64/950604864.db2.gz BOFOZTCICYBEOZ-TXEJJXNPSA-N -1 1 382.472 1.234 20 0 GDADMM CC1(C)C(C(=O)N2C[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]3C2)C1(C)C ZINC001575617414 950604884 /nfs/dbraw/zinc/60/48/84/950604884.db2.gz BOFOZTCICYBEOZ-TXEJJXNPSA-N -1 1 382.472 1.234 20 0 GDADMM CC(C)(C)OCC(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCCCC1 ZINC001573870937 950608047 /nfs/dbraw/zinc/60/80/47/950608047.db2.gz KSFXSJZUUYTGQO-UHFFFAOYSA-N -1 1 388.476 1.703 20 0 GDADMM CC(C)(C)OCC(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCCCC1 ZINC001573870937 950608063 /nfs/dbraw/zinc/60/80/63/950608063.db2.gz KSFXSJZUUYTGQO-UHFFFAOYSA-N -1 1 388.476 1.703 20 0 GDADMM CC1(C)C(C(=O)N2CCC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)C1(C)C ZINC001575618610 950614325 /nfs/dbraw/zinc/61/43/25/950614325.db2.gz LLJMAPZEJNNBRH-GFCCVEGCSA-N -1 1 384.488 1.989 20 0 GDADMM CC1(C)C(C(=O)N2CCC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)C1(C)C ZINC001575618610 950614345 /nfs/dbraw/zinc/61/43/45/950614345.db2.gz LLJMAPZEJNNBRH-GFCCVEGCSA-N -1 1 384.488 1.989 20 0 GDADMM CC1(C)C(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cncc(-c3nnn[n-]3)n2)C1(C)C ZINC001575619841 950621866 /nfs/dbraw/zinc/62/18/66/950621866.db2.gz QMUJONIRKSLMND-TXEJJXNPSA-N -1 1 382.472 1.519 20 0 GDADMM CC1(C)C(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cncc(-c3nn[n-]n3)n2)C1(C)C ZINC001575619841 950621884 /nfs/dbraw/zinc/62/18/84/950621884.db2.gz QMUJONIRKSLMND-TXEJJXNPSA-N -1 1 382.472 1.519 20 0 GDADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(Cl)cs1 ZINC001575920256 950631978 /nfs/dbraw/zinc/63/19/78/950631978.db2.gz LZJHLZLMYQLYEM-PSASIEDQSA-N -1 1 390.860 1.509 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cccc(F)c1Cl)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574759906 950648516 /nfs/dbraw/zinc/64/85/16/950648516.db2.gz PVTMMYQOMCEHHS-VIFPVBQESA-N -1 1 390.810 1.444 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001574518261 950652320 /nfs/dbraw/zinc/65/23/20/950652320.db2.gz MZJPBMWSQIWTPM-AEGPPILISA-N -1 1 378.440 1.910 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574518261 950652335 /nfs/dbraw/zinc/65/23/35/950652335.db2.gz MZJPBMWSQIWTPM-AEGPPILISA-N -1 1 378.440 1.910 20 0 GDADMM CC(C)(C)OCc1cc(CNC(=O)NCc2nc(-c3nnn[n-]3)cs2)no1 ZINC001573873678 950652920 /nfs/dbraw/zinc/65/29/20/950652920.db2.gz XWZHBRNHARELOX-UHFFFAOYSA-N -1 1 392.445 1.626 20 0 GDADMM CC(C)(C)OCc1cc(CNC(=O)NCc2nc(-c3nn[n-]n3)cs2)no1 ZINC001573873678 950652929 /nfs/dbraw/zinc/65/29/29/950652929.db2.gz XWZHBRNHARELOX-UHFFFAOYSA-N -1 1 392.445 1.626 20 0 GDADMM C[C@@H](CC(=O)Nc1cccc(-c2nnn[n-]2)n1)S(=O)(=O)c1ccc(F)cc1 ZINC001574519227 950674203 /nfs/dbraw/zinc/67/42/03/950674203.db2.gz CLYNRCVPSPIEHV-JTQLQIEISA-N -1 1 390.400 1.592 20 0 GDADMM C[C@@H](CC(=O)Nc1cccc(-c2nn[n-]n2)n1)S(=O)(=O)c1ccc(F)cc1 ZINC001574519227 950674214 /nfs/dbraw/zinc/67/42/14/950674214.db2.gz CLYNRCVPSPIEHV-JTQLQIEISA-N -1 1 390.400 1.592 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccncc1 ZINC001574519377 950677428 /nfs/dbraw/zinc/67/74/28/950677428.db2.gz UHJJKWNPGBLBIB-BNOWGMLFSA-N -1 1 379.428 1.305 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccncc1 ZINC001574519377 950677433 /nfs/dbraw/zinc/67/74/33/950677433.db2.gz UHJJKWNPGBLBIB-BNOWGMLFSA-N -1 1 379.428 1.305 20 0 GDADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc2[nH]ccc2c1 ZINC001575925391 950683968 /nfs/dbraw/zinc/68/39/68/950683968.db2.gz URNAWGXBRSODIO-FZMZJTMJSA-N -1 1 389.423 1.275 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CC(C1CC1)C1CC1 ZINC001575925678 950689812 /nfs/dbraw/zinc/68/98/12/950689812.db2.gz HXEXAONMXDPEEI-NHYWBVRUSA-N -1 1 382.472 1.884 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CC(C1CC1)C1CC1 ZINC001575925678 950689832 /nfs/dbraw/zinc/68/98/32/950689832.db2.gz HXEXAONMXDPEEI-NHYWBVRUSA-N -1 1 382.472 1.884 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)C1Cc2ccccc2C1 ZINC001575926600 950714685 /nfs/dbraw/zinc/71/46/85/950714685.db2.gz KPAUPNDCTYYHRC-WBMJQRKESA-N -1 1 390.451 1.473 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)C1Cc2ccccc2C1 ZINC001575926600 950714708 /nfs/dbraw/zinc/71/47/08/950714708.db2.gz KPAUPNDCTYYHRC-WBMJQRKESA-N -1 1 390.451 1.473 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1coc(C(F)F)c1 ZINC001575926921 950725635 /nfs/dbraw/zinc/72/56/35/950725635.db2.gz MVGJKLOVJGMHDS-WCBMZHEXSA-N -1 1 390.354 1.902 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1coc(C(F)F)c1 ZINC001575926921 950725649 /nfs/dbraw/zinc/72/56/49/950725649.db2.gz MVGJKLOVJGMHDS-WCBMZHEXSA-N -1 1 390.354 1.902 20 0 GDADMM CC1(C)CC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(c2ccc(-c4nnn[n-]4)nn2)C3)C1 ZINC001575629101 950730490 /nfs/dbraw/zinc/73/04/90/950730490.db2.gz LIYNBUAIHFLVHM-UBHSHLNASA-N -1 1 382.472 1.566 20 0 GDADMM CC1(C)CC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(c2ccc(-c4nn[n-]n4)nn2)C3)C1 ZINC001575629101 950730498 /nfs/dbraw/zinc/73/04/98/950730498.db2.gz LIYNBUAIHFLVHM-UBHSHLNASA-N -1 1 382.472 1.566 20 0 GDADMM CC1(C)CC(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)CC2(C)C)C1 ZINC001575629328 950734022 /nfs/dbraw/zinc/73/40/22/950734022.db2.gz MIMDEDHIYNZCBV-ZDUSSCGKSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)CC(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)CC2(C)C)C1 ZINC001575629328 950734042 /nfs/dbraw/zinc/73/40/42/950734042.db2.gz MIMDEDHIYNZCBV-ZDUSSCGKSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)CC(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C23CCC3)C1 ZINC001575629362 950735270 /nfs/dbraw/zinc/73/52/70/950735270.db2.gz NDPHDVNATVOZAV-KBPBESRZSA-N -1 1 382.472 1.932 20 0 GDADMM CC1(C)CC(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C23CCC3)C1 ZINC001575629362 950735287 /nfs/dbraw/zinc/73/52/87/950735287.db2.gz NDPHDVNATVOZAV-KBPBESRZSA-N -1 1 382.472 1.932 20 0 GDADMM CC1(C)CC(C(=O)NC2CC3(C2)CC(Nc2cncc(-c4nnn[n-]4)n2)C3)C1 ZINC001575629361 950736427 /nfs/dbraw/zinc/73/64/27/950736427.db2.gz NAGGELKNNXJSJI-UHFFFAOYSA-N -1 1 382.472 1.932 20 0 GDADMM CC1(C)CC(C(=O)NC2CC3(C2)CC(Nc2cncc(-c4nn[n-]n4)n2)C3)C1 ZINC001575629361 950736444 /nfs/dbraw/zinc/73/64/44/950736444.db2.gz NAGGELKNNXJSJI-UHFFFAOYSA-N -1 1 382.472 1.932 20 0 GDADMM CC(C)(C)c1cc(C(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)no1 ZINC001573880140 950739102 /nfs/dbraw/zinc/73/91/02/950739102.db2.gz SSOTXZXPASTCHD-AOOOYVTPSA-N -1 1 383.416 1.315 20 0 GDADMM CC(C)(C)c1cc(C(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)no1 ZINC001573880140 950739116 /nfs/dbraw/zinc/73/91/16/950739116.db2.gz SSOTXZXPASTCHD-AOOOYVTPSA-N -1 1 383.416 1.315 20 0 GDADMM C[C@@H](CC(=O)N[C@]12CCC[C@H]1CN(c1cncc(-c3nnn[n-]3)n1)C2)C1CC1 ZINC001574520630 950741345 /nfs/dbraw/zinc/74/13/45/950741345.db2.gz VRXPRLXPNDRDAZ-PJFSTRORSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](CC(=O)N[C@]12CCC[C@H]1CN(c1cncc(-c3nn[n-]n3)n1)C2)C1CC1 ZINC001574520630 950741360 /nfs/dbraw/zinc/74/13/60/950741360.db2.gz VRXPRLXPNDRDAZ-PJFSTRORSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)COC1CCCCC1 ZINC001575927827 950760824 /nfs/dbraw/zinc/76/08/24/950760824.db2.gz VCSQDEOFTIFWKZ-OCCSQVGLSA-N -1 1 386.460 1.407 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)COC1CCCCC1 ZINC001575927827 950760841 /nfs/dbraw/zinc/76/08/41/950760841.db2.gz VCSQDEOFTIFWKZ-OCCSQVGLSA-N -1 1 386.460 1.407 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576217373 950760865 /nfs/dbraw/zinc/76/08/65/950760865.db2.gz GZYLOSUZTDJWKM-MWLCHTKSSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576217373 950760879 /nfs/dbraw/zinc/76/08/79/950760879.db2.gz GZYLOSUZTDJWKM-MWLCHTKSSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)C(C)(C)C2(C)C)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576218010 950778910 /nfs/dbraw/zinc/77/89/10/950778910.db2.gz KDZCGWUFZIOWGL-YPMHNXCESA-N -1 1 384.488 1.988 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)C(C)(C)C2(C)C)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576218010 950778930 /nfs/dbraw/zinc/77/89/30/950778930.db2.gz KDZCGWUFZIOWGL-YPMHNXCESA-N -1 1 384.488 1.988 20 0 GDADMM CC(C)n1cccc1C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001575929499 950788534 /nfs/dbraw/zinc/78/85/34/950788534.db2.gz CDYMFSSJRBAVBS-QWHCGFSZSA-N -1 1 381.444 1.754 20 0 GDADMM CC(C)n1cccc1C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001575929499 950788553 /nfs/dbraw/zinc/78/85/53/950788553.db2.gz CDYMFSSJRBAVBS-QWHCGFSZSA-N -1 1 381.444 1.754 20 0 GDADMM CC(C)n1cccc1C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001575929500 950789190 /nfs/dbraw/zinc/78/91/90/950789190.db2.gz CDYMFSSJRBAVBS-STQMWFEESA-N -1 1 381.444 1.754 20 0 GDADMM CC(C)n1cccc1C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001575929500 950789206 /nfs/dbraw/zinc/78/92/06/950789206.db2.gz CDYMFSSJRBAVBS-STQMWFEESA-N -1 1 381.444 1.754 20 0 GDADMM CC1(C)CC(CC(=O)NC[C@@H]2CCCCN2c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575632120 950789591 /nfs/dbraw/zinc/78/95/91/950789591.db2.gz AZEQILRCBUELMO-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CC(CC(=O)NC[C@@H]2CCCCN2c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575632120 950789599 /nfs/dbraw/zinc/78/95/99/950789599.db2.gz AZEQILRCBUELMO-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)Cc1ccccc1F ZINC001575931134 950799400 /nfs/dbraw/zinc/79/94/00/950799400.db2.gz GXSUUEDTROOKMD-FZMZJTMJSA-N -1 1 382.403 1.440 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)Cc1ccccc1F ZINC001575931134 950799409 /nfs/dbraw/zinc/79/94/09/950799409.db2.gz GXSUUEDTROOKMD-FZMZJTMJSA-N -1 1 382.403 1.440 20 0 GDADMM CC1(C)CC(CC(=O)NC[C@H]2CCCCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001575632813 950804672 /nfs/dbraw/zinc/80/46/72/950804672.db2.gz NKTJZGRORHJUBA-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CC(CC(=O)NC[C@H]2CCCCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001575632813 950804688 /nfs/dbraw/zinc/80/46/88/950804688.db2.gz NKTJZGRORHJUBA-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CN(C)C(=O)c1ncccn1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574766128 950808421 /nfs/dbraw/zinc/80/84/21/950808421.db2.gz KCZTTWBIOLIUKX-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccc2c(c1)COC2 ZINC001575931612 950813225 /nfs/dbraw/zinc/81/32/25/950813225.db2.gz JAEZUJPXWYQNHO-NHYWBVRUSA-N -1 1 392.423 1.402 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc2c(c1)COC2 ZINC001575931612 950813245 /nfs/dbraw/zinc/81/32/45/950813245.db2.gz JAEZUJPXWYQNHO-NHYWBVRUSA-N -1 1 392.423 1.402 20 0 GDADMM CC(C)c1scnc1C(=O)N(C)C[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574766316 950814230 /nfs/dbraw/zinc/81/42/30/950814230.db2.gz IDJDKDYXASCUTC-JTQLQIEISA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)c1scnc1C(=O)N(C)C[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574766316 950814258 /nfs/dbraw/zinc/81/42/58/950814258.db2.gz IDJDKDYXASCUTC-JTQLQIEISA-N -1 1 387.473 1.809 20 0 GDADMM CC1(C)CC(CC(=O)NC[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001575633302 950814915 /nfs/dbraw/zinc/81/49/15/950814915.db2.gz RYXJMOPGTJEPAZ-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C)CC(CC(=O)NC[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001575633302 950814942 /nfs/dbraw/zinc/81/49/42/950814942.db2.gz RYXJMOPGTJEPAZ-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C)c1ccccc1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573885511 950825445 /nfs/dbraw/zinc/82/54/45/950825445.db2.gz YFJIHHSQTMPAFV-ZDUSSCGKSA-N -1 1 392.467 1.963 20 0 GDADMM CC(C)(C)c1ccccc1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573885511 950825465 /nfs/dbraw/zinc/82/54/65/950825465.db2.gz YFJIHHSQTMPAFV-ZDUSSCGKSA-N -1 1 392.467 1.963 20 0 GDADMM C[C@H](CN(C)C(=O)c1coc(C2CCC2)n1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574766865 950831637 /nfs/dbraw/zinc/83/16/37/950831637.db2.gz NIPPCRSKOKGWSR-SNVBAGLBSA-N -1 1 383.416 1.485 20 0 GDADMM C[C@H](CN(C)C(=O)c1coc(C2CCC2)n1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574766865 950831660 /nfs/dbraw/zinc/83/16/60/950831660.db2.gz NIPPCRSKOKGWSR-SNVBAGLBSA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)(C)c1nc(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)co1 ZINC001573885537 950831783 /nfs/dbraw/zinc/83/17/83/950831783.db2.gz TVYKNYVWMWFWQO-MGCOHNPYSA-N -1 1 383.416 1.315 20 0 GDADMM CC(C)(C)c1nc(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)co1 ZINC001573885537 950831806 /nfs/dbraw/zinc/83/18/06/950831806.db2.gz TVYKNYVWMWFWQO-MGCOHNPYSA-N -1 1 383.416 1.315 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1nc(Cl)cs1 ZINC001575934989 950868902 /nfs/dbraw/zinc/86/89/02/950868902.db2.gz UFTBCKIRHPEFHV-SFYZADRCSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1nc(Cl)cs1 ZINC001575934989 950868922 /nfs/dbraw/zinc/86/89/22/950868922.db2.gz UFTBCKIRHPEFHV-SFYZADRCSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)COCC1CCCC1 ZINC001575934999 950870722 /nfs/dbraw/zinc/87/07/22/950870722.db2.gz UGPJULOMCUERDX-TZMCWYRMSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)COCC1CCCC1 ZINC001575934999 950870732 /nfs/dbraw/zinc/87/07/32/950870732.db2.gz UGPJULOMCUERDX-TZMCWYRMSA-N -1 1 386.460 1.265 20 0 GDADMM CC1CC(C(=O)N(C)C[C@@H](O)CNc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001575937216 950942113 /nfs/dbraw/zinc/94/21/13/950942113.db2.gz CVVDJTMEKRBQBH-HACHORDNSA-N -1 1 385.881 1.254 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)CC(C)(C)C1 ZINC001575642412 950943754 /nfs/dbraw/zinc/94/37/54/950943754.db2.gz UWNQELRSFADWNI-CHWSQXEVSA-N -1 1 384.488 1.814 20 0 GDADMM O=C([O-])CC1(NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)C2CCCCC2)CCC1 ZINC001594979679 950974714 /nfs/dbraw/zinc/97/47/14/950974714.db2.gz UMOIIAFJNJIYRE-HNNXBMFYSA-N -1 1 376.457 1.531 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(=O)[nH]c1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575017480 950996809 /nfs/dbraw/zinc/99/68/09/950996809.db2.gz GSCGGHMVDHPDEF-LURJTMIESA-N -1 1 380.821 1.308 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(=O)[nH]c1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575017480 950996823 /nfs/dbraw/zinc/99/68/23/950996823.db2.gz GSCGGHMVDHPDEF-LURJTMIESA-N -1 1 380.821 1.308 20 0 GDADMM CC(C)(CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001573900192 950997940 /nfs/dbraw/zinc/99/79/40/950997940.db2.gz UJCYQYWAJZVYGQ-IPYPFGDCSA-N -1 1 382.472 1.709 20 0 GDADMM CC(C)(CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001573900192 950997958 /nfs/dbraw/zinc/99/79/58/950997958.db2.gz UJCYQYWAJZVYGQ-IPYPFGDCSA-N -1 1 382.472 1.709 20 0 GDADMM CC(C)c1ccc(C(=O)NC[C@@H](C)CNc2nccnc2-c2nnn[n-]2)nc1 ZINC001575018168 951014207 /nfs/dbraw/zinc/01/42/07/951014207.db2.gz LYVFCXDNRQOQIG-LBPRGKRZSA-N -1 1 381.444 1.653 20 0 GDADMM CC(C)c1ccc(C(=O)NC[C@@H](C)CNc2nccnc2-c2nn[n-]n2)nc1 ZINC001575018168 951014221 /nfs/dbraw/zinc/01/42/21/951014221.db2.gz LYVFCXDNRQOQIG-LBPRGKRZSA-N -1 1 381.444 1.653 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)F)o1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575019021 951031674 /nfs/dbraw/zinc/03/16/74/951031674.db2.gz PNVMGFMMJJKFDM-MRVPVSSYSA-N -1 1 378.343 1.442 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)F)o1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575019021 951031686 /nfs/dbraw/zinc/03/16/86/951031686.db2.gz PNVMGFMMJJKFDM-MRVPVSSYSA-N -1 1 378.343 1.442 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(C)(C)C)cn1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575019785 951045204 /nfs/dbraw/zinc/04/52/04/951045204.db2.gz VROHHJQVUSCQGN-NSHDSACASA-N -1 1 381.444 1.580 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(C)(C)C)cn1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575019785 951045223 /nfs/dbraw/zinc/04/52/23/951045223.db2.gz VROHHJQVUSCQGN-NSHDSACASA-N -1 1 381.444 1.580 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C2CC2)cc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575023889 951086774 /nfs/dbraw/zinc/08/67/74/951086774.db2.gz RMXXRMYYLSWKIS-LBPRGKRZSA-N -1 1 378.440 1.789 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C2CC2)cc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575023889 951086783 /nfs/dbraw/zinc/08/67/83/951086783.db2.gz RMXXRMYYLSWKIS-LBPRGKRZSA-N -1 1 378.440 1.789 20 0 GDADMM CCOC(=O)c1n[nH]c([C@H](CC(C)C)NC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)n1 ZINC001591278930 951108649 /nfs/dbraw/zinc/10/86/49/951108649.db2.gz BCLSRTLLWTUQMC-AGIUHOORSA-N -1 1 396.444 1.455 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCC=C2)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575024749 951115350 /nfs/dbraw/zinc/11/53/50/951115350.db2.gz LXPLRYQBNALQRF-CYBMUJFWSA-N -1 1 390.451 1.871 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCC=C2)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575024749 951115354 /nfs/dbraw/zinc/11/53/54/951115354.db2.gz LXPLRYQBNALQRF-CYBMUJFWSA-N -1 1 390.451 1.871 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575024954 951119857 /nfs/dbraw/zinc/11/98/57/951119857.db2.gz QIZZTARORQKEFF-LBPRGKRZSA-N -1 1 378.440 1.766 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575024954 951119861 /nfs/dbraw/zinc/11/98/61/951119861.db2.gz QIZZTARORQKEFF-LBPRGKRZSA-N -1 1 378.440 1.766 20 0 GDADMM C[C@H](CNC(=O)c1cccc2c1OCC2)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575028631 951177156 /nfs/dbraw/zinc/17/71/56/951177156.db2.gz PCTXNLLBCAQFRV-NSHDSACASA-N -1 1 380.412 1.070 20 0 GDADMM C[C@H](CNC(=O)c1cccc2c1OCC2)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575028631 951177165 /nfs/dbraw/zinc/17/71/65/951177165.db2.gz PCTXNLLBCAQFRV-NSHDSACASA-N -1 1 380.412 1.070 20 0 GDADMM C[C@@H](CNC(=O)c1ccccn1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575032202 951218406 /nfs/dbraw/zinc/21/84/06/951218406.db2.gz TYNOXUUEWFMWAI-QMMMGPOBSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@@H](CNC(=O)c1ccccn1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575032202 951218412 /nfs/dbraw/zinc/21/84/12/951218412.db2.gz TYNOXUUEWFMWAI-QMMMGPOBSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@H](CNC(=O)c1cccnc1C(F)F)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575032297 951222410 /nfs/dbraw/zinc/22/24/10/951222410.db2.gz WMYQANNKEBWVBZ-SECBINFHSA-N -1 1 389.370 1.244 20 0 GDADMM C[C@H](CNC(=O)c1cccnc1C(F)F)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575032297 951222419 /nfs/dbraw/zinc/22/24/19/951222419.db2.gz WMYQANNKEBWVBZ-SECBINFHSA-N -1 1 389.370 1.244 20 0 GDADMM C[C@@H](CNC(=O)c1ccncc1F)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001575034574 951251481 /nfs/dbraw/zinc/25/14/81/951251481.db2.gz NTQYOTWTHQGKFI-LURJTMIESA-N -1 1 382.812 1.741 20 0 GDADMM C[C@@H](CNC(=O)c1ccncc1F)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575034574 951251496 /nfs/dbraw/zinc/25/14/96/951251496.db2.gz NTQYOTWTHQGKFI-LURJTMIESA-N -1 1 382.812 1.741 20 0 GDADMM C[C@@H](CNC(=O)c1ccn(C2CCCC2)n1)Nc1nccnc1-c1nnn[n-]1 ZINC001575035553 951277471 /nfs/dbraw/zinc/27/74/71/951277471.db2.gz KMONGPURORDRTK-NSHDSACASA-N -1 1 382.432 1.199 20 0 GDADMM C[C@@H](CNC(=O)c1ccn(C2CCCC2)n1)Nc1nccnc1-c1nn[n-]n1 ZINC001575035553 951277478 /nfs/dbraw/zinc/27/74/78/951277478.db2.gz KMONGPURORDRTK-NSHDSACASA-N -1 1 382.432 1.199 20 0 GDADMM C[C@H](CNC(=O)c1ccnc(C2CC2)c1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575036484 951295157 /nfs/dbraw/zinc/29/51/57/951295157.db2.gz SWFLSTROASIYRP-LLVKDONJSA-N -1 1 379.428 1.184 20 0 GDADMM C[C@H](CNC(=O)c1ccnc(C2CC2)c1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575036484 951295169 /nfs/dbraw/zinc/29/51/69/951295169.db2.gz SWFLSTROASIYRP-LLVKDONJSA-N -1 1 379.428 1.184 20 0 GDADMM CC(C)c1ncncc1C(=O)NC[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575046810 951448199 /nfs/dbraw/zinc/44/81/99/951448199.db2.gz TTYYEXCGRSEYEZ-LLVKDONJSA-N -1 1 382.432 1.048 20 0 GDADMM CC(C)c1ncncc1C(=O)NC[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575046810 951448209 /nfs/dbraw/zinc/44/82/09/951448209.db2.gz TTYYEXCGRSEYEZ-LLVKDONJSA-N -1 1 382.432 1.048 20 0 GDADMM C[C@@H](CNC(=O)c1csc(Cl)n1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575061669 951560800 /nfs/dbraw/zinc/56/08/00/951560800.db2.gz PNYIZKGNLOZQQV-ZETCQYMHSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@@H](CNC(=O)c1csc(Cl)n1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575061669 951560815 /nfs/dbraw/zinc/56/08/15/951560815.db2.gz PNYIZKGNLOZQQV-ZETCQYMHSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@H](CNC(=O)c1cscn1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575061943 951563360 /nfs/dbraw/zinc/56/33/60/951563360.db2.gz ROHWQRQMSLZYQY-ZCFIWIBFSA-N -1 1 384.878 1.911 20 0 GDADMM C[C@H](CNC(=O)c1cscn1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575061943 951563369 /nfs/dbraw/zinc/56/33/69/951563369.db2.gz ROHWQRQMSLZYQY-ZCFIWIBFSA-N -1 1 384.878 1.911 20 0 GDADMM C[C@@H](CNC(=O)c1csc2c1CCCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575062541 951570866 /nfs/dbraw/zinc/57/08/66/951570866.db2.gz XOUYVKNGKYDSAR-JTQLQIEISA-N -1 1 384.469 1.827 20 0 GDADMM C[C@@H](CNC(=O)c1csc2c1CCCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575062541 951570876 /nfs/dbraw/zinc/57/08/76/951570876.db2.gz XOUYVKNGKYDSAR-JTQLQIEISA-N -1 1 384.469 1.827 20 0 GDADMM C[C@@H](CNC(=O)c1cscc1Cl)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575062784 951571727 /nfs/dbraw/zinc/57/17/27/951571727.db2.gz YETLFYRVOJOFCA-MRVPVSSYSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@@H](CNC(=O)c1cscc1Cl)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575062784 951571736 /nfs/dbraw/zinc/57/17/36/951571736.db2.gz YETLFYRVOJOFCA-MRVPVSSYSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@@H](CNC(=O)c1nccc2ccccc21)CNc1nccnc1-c1nnn[n-]1 ZINC001575068248 951632677 /nfs/dbraw/zinc/63/26/77/951632677.db2.gz YQMXPWMPHOKHBH-GFCCVEGCSA-N -1 1 389.423 1.683 20 0 GDADMM C[C@@H](CNC(=O)c1nccc2ccccc21)CNc1nccnc1-c1nn[n-]n1 ZINC001575068248 951632685 /nfs/dbraw/zinc/63/26/85/951632685.db2.gz YQMXPWMPHOKHBH-GFCCVEGCSA-N -1 1 389.423 1.683 20 0 GDADMM C[C@H](CNC(=O)c1sccc1C(F)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575070444 951650547 /nfs/dbraw/zinc/65/05/47/951650547.db2.gz QJFXIWDHRLLPSC-SSDOTTSWSA-N -1 1 380.384 1.886 20 0 GDADMM C[C@H](CNC(=O)c1sccc1C(F)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575070444 951650555 /nfs/dbraw/zinc/65/05/55/951650555.db2.gz QJFXIWDHRLLPSC-SSDOTTSWSA-N -1 1 380.384 1.886 20 0 GDADMM C[C@H](CNC(=O)c1sccc1Cl)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575070586 951651685 /nfs/dbraw/zinc/65/16/85/951651685.db2.gz RXEXCIOPRHFNBD-QMMMGPOBSA-N -1 1 378.849 1.272 20 0 GDADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)C[C@H]1CCCCO1)C1CC1 ZINC001575128130 952063642 /nfs/dbraw/zinc/06/36/42/952063642.db2.gz FGRBJLGXMHSXMC-FZKQIMNGSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)C[C@H]1CCCCO1)C1CC1 ZINC001575128130 952063650 /nfs/dbraw/zinc/06/36/50/952063650.db2.gz FGRBJLGXMHSXMC-FZKQIMNGSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)c1cc(Cl)c[nH]1)C1CC1 ZINC001575128610 952068748 /nfs/dbraw/zinc/06/87/48/952068748.db2.gz KBJIHBXGNSLTTM-INIZCTEOSA-N -1 1 387.835 1.649 20 0 GDADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)c1cc(Cl)c[nH]1)C1CC1 ZINC001575128610 952068754 /nfs/dbraw/zinc/06/87/54/952068754.db2.gz KBJIHBXGNSLTTM-INIZCTEOSA-N -1 1 387.835 1.649 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001575132146 952090012 /nfs/dbraw/zinc/09/00/12/952090012.db2.gz CYCNGZHQXVBWAG-FPMFFAJLSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001575132146 952090017 /nfs/dbraw/zinc/09/00/17/952090017.db2.gz CYCNGZHQXVBWAG-FPMFFAJLSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H]1CCCCC1(F)F ZINC001575132586 952095969 /nfs/dbraw/zinc/09/59/69/952095969.db2.gz HAELVLFUZLKDNG-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H]1CCCCC1(F)F ZINC001575132586 952095980 /nfs/dbraw/zinc/09/59/80/952095980.db2.gz HAELVLFUZLKDNG-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cc2c(o1)CCCC2 ZINC001575134088 952107059 /nfs/dbraw/zinc/10/70/59/952107059.db2.gz LYISVGQWWKNENE-NSHDSACASA-N -1 1 382.428 1.701 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cc2c(o1)CCCC2 ZINC001575134088 952107068 /nfs/dbraw/zinc/10/70/68/952107068.db2.gz LYISVGQWWKNENE-NSHDSACASA-N -1 1 382.428 1.701 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1coc(C(F)F)c1 ZINC001575136356 952124648 /nfs/dbraw/zinc/12/46/48/952124648.db2.gz OVXSPLIEEKTSLT-MRVPVSSYSA-N -1 1 378.343 1.760 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1coc(C(F)F)c1 ZINC001575136356 952124653 /nfs/dbraw/zinc/12/46/53/952124653.db2.gz OVXSPLIEEKTSLT-MRVPVSSYSA-N -1 1 378.343 1.760 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001575136434 952125773 /nfs/dbraw/zinc/12/57/73/952125773.db2.gz VGGZOXZQCOUALT-FPMFFAJLSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001575136434 952125778 /nfs/dbraw/zinc/12/57/78/952125778.db2.gz VGGZOXZQCOUALT-FPMFFAJLSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)CCCc1ccccc1 ZINC001575137015 952132462 /nfs/dbraw/zinc/13/24/62/952132462.db2.gz ZMLZHSICOPFUBX-AWEZNQCLSA-N -1 1 380.456 1.938 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)CCCc1ccccc1 ZINC001575137015 952132468 /nfs/dbraw/zinc/13/24/68/952132468.db2.gz ZMLZHSICOPFUBX-AWEZNQCLSA-N -1 1 380.456 1.938 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cc(C(C)(C)C)on1 ZINC001575137023 952133282 /nfs/dbraw/zinc/13/32/82/952133282.db2.gz ZYXXMIRLRWAGJP-JTQLQIEISA-N -1 1 385.432 1.515 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cc(C(C)(C)C)on1 ZINC001575137023 952133286 /nfs/dbraw/zinc/13/32/86/952133286.db2.gz ZYXXMIRLRWAGJP-JTQLQIEISA-N -1 1 385.432 1.515 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1onc2c1CCCC2 ZINC001575137385 952137255 /nfs/dbraw/zinc/13/72/55/952137255.db2.gz XRFGPGJJOQFVGN-JTQLQIEISA-N -1 1 383.416 1.096 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1onc2c1CCCC2 ZINC001575137385 952137259 /nfs/dbraw/zinc/13/72/59/952137259.db2.gz XRFGPGJJOQFVGN-JTQLQIEISA-N -1 1 383.416 1.096 20 0 GDADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)[C@H]1CCC(F)(F)C1)C1CC1 ZINC001575137459 952139418 /nfs/dbraw/zinc/13/94/18/952139418.db2.gz ZMTPNPLAPCIVGU-QFYYESIMSA-N -1 1 392.414 1.211 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)Cc1ccc(Cl)s1 ZINC001575144869 952173288 /nfs/dbraw/zinc/17/32/88/952173288.db2.gz YRFKZJDGONIUPF-VIFPVBQESA-N -1 1 392.876 1.295 20 0 GDADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)CC[C@H]1CCCO1)C1CC1 ZINC001575148092 952201879 /nfs/dbraw/zinc/20/18/79/952201879.db2.gz XIRVEQULRZDQPU-ACJLOTCBSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)CC[C@H]1CCCO1)C1CC1 ZINC001575148092 952201884 /nfs/dbraw/zinc/20/18/84/952201884.db2.gz XIRVEQULRZDQPU-ACJLOTCBSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1[nH]cnc1C(C)(C)C ZINC001575153036 952205427 /nfs/dbraw/zinc/20/54/27/952205427.db2.gz CDRNSRZYZZEUON-JTQLQIEISA-N -1 1 384.448 1.250 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1COc2ccccc21 ZINC001575153813 952214078 /nfs/dbraw/zinc/21/40/78/952214078.db2.gz LGHWZOTUMYNAPM-WCQYABFASA-N -1 1 380.412 1.092 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1COc2ccccc21 ZINC001575153813 952214084 /nfs/dbraw/zinc/21/40/84/952214084.db2.gz LGHWZOTUMYNAPM-WCQYABFASA-N -1 1 380.412 1.092 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1scnc1Cl ZINC001575154455 952224011 /nfs/dbraw/zinc/22/40/11/952224011.db2.gz DQJFBZIPIGVYAX-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1scnc1Cl ZINC001575154455 952224021 /nfs/dbraw/zinc/22/40/21/952224021.db2.gz DQJFBZIPIGVYAX-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)c1ncccc1F)C1CC1 ZINC001575154631 952227373 /nfs/dbraw/zinc/22/73/73/952227373.db2.gz GLZPYBAPCNZFCT-KRWDZBQOSA-N -1 1 383.391 1.201 20 0 GDADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)c1ncccc1F)C1CC1 ZINC001575154631 952227378 /nfs/dbraw/zinc/22/73/78/952227378.db2.gz GLZPYBAPCNZFCT-KRWDZBQOSA-N -1 1 383.391 1.201 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)C[C@H]1CCC(F)(F)C1 ZINC001575155427 952238520 /nfs/dbraw/zinc/23/85/20/952238520.db2.gz YETRGQUEXRXXFQ-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)C[C@H]1CCC(F)(F)C1 ZINC001575155427 952238523 /nfs/dbraw/zinc/23/85/23/952238523.db2.gz YETRGQUEXRXXFQ-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)[C@@H]1CCC(F)(F)C1)C1CC1 ZINC001575155872 952245376 /nfs/dbraw/zinc/24/53/76/952245376.db2.gz PMQSDKWYEZWTBD-QLJPJBMISA-N -1 1 392.414 1.789 20 0 GDADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)[C@@H]1CCC(F)(F)C1)C1CC1 ZINC001575155872 952245384 /nfs/dbraw/zinc/24/53/84/952245384.db2.gz PMQSDKWYEZWTBD-QLJPJBMISA-N -1 1 392.414 1.789 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)C(C)(C)c1cccnc1 ZINC001575156278 952250275 /nfs/dbraw/zinc/25/02/75/952250275.db2.gz SBHAURWRMXLECH-LBPRGKRZSA-N -1 1 381.444 1.288 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)C(C)(C)c1cccnc1 ZINC001575156278 952250278 /nfs/dbraw/zinc/25/02/78/952250278.db2.gz SBHAURWRMXLECH-LBPRGKRZSA-N -1 1 381.444 1.288 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1ccc2[nH]ccc2c1 ZINC001575156375 952251379 /nfs/dbraw/zinc/25/13/79/952251379.db2.gz FAFYPWXXHUSNTB-NSHDSACASA-N -1 1 377.412 1.711 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc2[nH]ccc2c1 ZINC001575156375 952251384 /nfs/dbraw/zinc/25/13/84/952251384.db2.gz FAFYPWXXHUSNTB-NSHDSACASA-N -1 1 377.412 1.711 20 0 GDADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)c1ccccc1F)C1CC1 ZINC001575156809 952256604 /nfs/dbraw/zinc/25/66/04/952256604.db2.gz VUTAFADZHPJJJA-GOSISDBHSA-N -1 1 382.403 1.806 20 0 GDADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)c1ccccc1F)C1CC1 ZINC001575156809 952256607 /nfs/dbraw/zinc/25/66/07/952256607.db2.gz VUTAFADZHPJJJA-GOSISDBHSA-N -1 1 382.403 1.806 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cc2ccsc2[nH]1 ZINC001575156964 952259443 /nfs/dbraw/zinc/25/94/43/952259443.db2.gz JMCUKEWCOBKFKN-VIFPVBQESA-N -1 1 383.441 1.772 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc2ccsc2[nH]1 ZINC001575156964 952259452 /nfs/dbraw/zinc/25/94/52/952259452.db2.gz JMCUKEWCOBKFKN-VIFPVBQESA-N -1 1 383.441 1.772 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)C[C@H]1CCCO1 ZINC001575165287 952306413 /nfs/dbraw/zinc/30/64/13/952306413.db2.gz MVRJUVGLALXSHS-RKDXNWHRSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)C[C@H]1CCCO1 ZINC001575165287 952306421 /nfs/dbraw/zinc/30/64/21/952306421.db2.gz MVRJUVGLALXSHS-RKDXNWHRSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)c1ccnnc1 ZINC001575165561 952310128 /nfs/dbraw/zinc/31/01/28/952310128.db2.gz OYDGDXZTKCTDPG-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)c1ccnnc1 ZINC001575165561 952310137 /nfs/dbraw/zinc/31/01/37/952310137.db2.gz OYDGDXZTKCTDPG-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)Cc1ncc[nH]1 ZINC001575166410 952325648 /nfs/dbraw/zinc/32/56/48/952325648.db2.gz VWJITDLXDCYPAA-SSDOTTSWSA-N -1 1 381.853 1.201 20 0 GDADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)c1ccccc1F)C1CC1 ZINC001575174443 952373284 /nfs/dbraw/zinc/37/32/84/952373284.db2.gz OCJMGYRUXPSMAU-SFHVURJKSA-N -1 1 382.403 1.806 20 0 GDADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)c1ccccc1F)C1CC1 ZINC001575174443 952373291 /nfs/dbraw/zinc/37/32/91/952373291.db2.gz OCJMGYRUXPSMAU-SFHVURJKSA-N -1 1 382.403 1.806 20 0 GDADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)C1C=CC=CC=C1)C1CC1 ZINC001575174586 952375546 /nfs/dbraw/zinc/37/55/46/952375546.db2.gz QXGCUOKZGSFWIH-IBGZPJMESA-N -1 1 378.440 1.652 20 0 GDADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)C1C=CC=CC=C1)C1CC1 ZINC001575174586 952375550 /nfs/dbraw/zinc/37/55/50/952375550.db2.gz QXGCUOKZGSFWIH-IBGZPJMESA-N -1 1 378.440 1.652 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1noc2c1CCCC2 ZINC001575174672 952376563 /nfs/dbraw/zinc/37/65/63/952376563.db2.gz CGHBLMHTVBGUDX-JTQLQIEISA-N -1 1 383.416 1.096 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1noc2c1CCCC2 ZINC001575174672 952376567 /nfs/dbraw/zinc/37/65/67/952376567.db2.gz CGHBLMHTVBGUDX-JTQLQIEISA-N -1 1 383.416 1.096 20 0 GDADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)CCc1ccccc1)C1CC1 ZINC001575174876 952380472 /nfs/dbraw/zinc/38/04/72/952380472.db2.gz SUXFUINCJXFKST-HXUWFJFHSA-N -1 1 392.467 1.986 20 0 GDADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)CCc1ccccc1)C1CC1 ZINC001575174876 952380478 /nfs/dbraw/zinc/38/04/78/952380478.db2.gz SUXFUINCJXFKST-HXUWFJFHSA-N -1 1 392.467 1.986 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)Cc1ncc[nH]1 ZINC001575176622 952395495 /nfs/dbraw/zinc/39/54/95/952395495.db2.gz FBQLDABJWFQAAS-ZETCQYMHSA-N -1 1 381.853 1.201 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)Cc1ncc[nH]1 ZINC001575176622 952395503 /nfs/dbraw/zinc/39/55/03/952395503.db2.gz FBQLDABJWFQAAS-ZETCQYMHSA-N -1 1 381.853 1.201 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ccc(Cl)s1 ZINC001575177534 952401281 /nfs/dbraw/zinc/40/12/81/952401281.db2.gz HZBZKYBJYJQKLW-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ccc(Cl)s1 ZINC001575177534 952401284 /nfs/dbraw/zinc/40/12/84/952401284.db2.gz HZBZKYBJYJQKLW-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)c1csnn1 ZINC001575178107 952404948 /nfs/dbraw/zinc/40/49/48/952404948.db2.gz KKNOSSCLYBYLPK-RXMQYKEDSA-N -1 1 385.866 1.401 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)c1csnn1 ZINC001575178107 952404957 /nfs/dbraw/zinc/40/49/57/952404957.db2.gz KKNOSSCLYBYLPK-RXMQYKEDSA-N -1 1 385.866 1.401 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cc2cnccc2o1 ZINC001575178144 952405568 /nfs/dbraw/zinc/40/55/68/952405568.db2.gz KTFKPNXYEFKLAJ-SNVBAGLBSA-N -1 1 379.384 1.371 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cc2cnccc2o1 ZINC001575178144 952405570 /nfs/dbraw/zinc/40/55/70/952405570.db2.gz KTFKPNXYEFKLAJ-SNVBAGLBSA-N -1 1 379.384 1.371 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ccc2c(c1)COC2 ZINC001575178757 952407918 /nfs/dbraw/zinc/40/79/18/952407918.db2.gz MNOLVAODUQTISA-LLVKDONJSA-N -1 1 380.412 1.260 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ccc2c(c1)COC2 ZINC001575178757 952407922 /nfs/dbraw/zinc/40/79/22/952407922.db2.gz MNOLVAODUQTISA-LLVKDONJSA-N -1 1 380.412 1.260 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cccnc1C1CC1 ZINC001575180543 952417908 /nfs/dbraw/zinc/41/79/08/952417908.db2.gz VTYZSYVNYLHXST-LLVKDONJSA-N -1 1 379.428 1.502 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cccnc1C1CC1 ZINC001575180543 952417912 /nfs/dbraw/zinc/41/79/12/952417912.db2.gz VTYZSYVNYLHXST-LLVKDONJSA-N -1 1 379.428 1.502 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)c1ccccn1 ZINC001575180987 952422042 /nfs/dbraw/zinc/42/20/42/952422042.db2.gz ZEKHUWOBYUEFCR-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)c1ccccn1 ZINC001575180987 952422044 /nfs/dbraw/zinc/42/20/44/952422044.db2.gz ZEKHUWOBYUEFCR-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575187528 952442852 /nfs/dbraw/zinc/44/28/52/952442852.db2.gz CQRWCEPFJNGQLC-STQMWFEESA-N -1 1 382.428 1.166 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575187528 952442855 /nfs/dbraw/zinc/44/28/55/952442855.db2.gz CQRWCEPFJNGQLC-STQMWFEESA-N -1 1 382.428 1.166 20 0 GDADMM C[C@@H](Cc1ccc(F)cc1)C(=O)NCCN(C)c1nccnc1-c1nnn[n-]1 ZINC001575189351 952456176 /nfs/dbraw/zinc/45/61/76/952456176.db2.gz NNXNRCIYJRNQBV-LBPRGKRZSA-N -1 1 384.419 1.227 20 0 GDADMM C[C@@H](Cc1ccc(F)cc1)C(=O)NCCN(C)c1nccnc1-c1nn[n-]n1 ZINC001575189351 952456177 /nfs/dbraw/zinc/45/61/77/952456177.db2.gz NNXNRCIYJRNQBV-LBPRGKRZSA-N -1 1 384.419 1.227 20 0 GDADMM C[C@H](Cc1ccccn1)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC001575189830 952459119 /nfs/dbraw/zinc/45/91/19/952459119.db2.gz QVOXIJXMPYCQKC-SNVBAGLBSA-N -1 1 378.845 1.825 20 0 GDADMM C[C@H](Cc1ccccn1)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC001575189830 952459123 /nfs/dbraw/zinc/45/91/23/952459123.db2.gz QVOXIJXMPYCQKC-SNVBAGLBSA-N -1 1 378.845 1.825 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N(C)CCCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575190641 952464319 /nfs/dbraw/zinc/46/43/19/952464319.db2.gz VBNCSUYTVAQDEK-ZDUSSCGKSA-N -1 1 384.444 1.413 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N(C)CCCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575190641 952464322 /nfs/dbraw/zinc/46/43/22/952464322.db2.gz VBNCSUYTVAQDEK-ZDUSSCGKSA-N -1 1 384.444 1.413 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@@H](Nc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001575195382 952472145 /nfs/dbraw/zinc/47/21/45/952472145.db2.gz AOUITRLONNXECR-SMDDNHRTSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@@H](Nc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001575195382 952472149 /nfs/dbraw/zinc/47/21/49/952472149.db2.gz AOUITRLONNXECR-SMDDNHRTSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001575195846 952472918 /nfs/dbraw/zinc/47/29/18/952472918.db2.gz BYHKLFSPAOPMNQ-STQMWFEESA-N -1 1 382.428 1.531 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001575195846 952472922 /nfs/dbraw/zinc/47/29/22/952472922.db2.gz BYHKLFSPAOPMNQ-STQMWFEESA-N -1 1 382.428 1.531 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001575196187 952474122 /nfs/dbraw/zinc/47/41/22/952474122.db2.gz FGKJCLHWFHLERS-GFCCVEGCSA-N -1 1 382.428 1.214 20 0 GDADMM CC(C)[C@@H](CNC(=O)[C@H](C)Cc1ccco1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575197382 952482719 /nfs/dbraw/zinc/48/27/19/952482719.db2.gz VFTNOIHVCQOAHL-TZMCWYRMSA-N -1 1 384.444 1.681 20 0 GDADMM CC(C)[C@@H](CNC(=O)[C@H](C)Cc1ccco1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575197382 952482723 /nfs/dbraw/zinc/48/27/23/952482723.db2.gz VFTNOIHVCQOAHL-TZMCWYRMSA-N -1 1 384.444 1.681 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001575197597 952485747 /nfs/dbraw/zinc/48/57/47/952485747.db2.gz XKJGCCYTOGOVKC-RISCZKNCSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001575197597 952485750 /nfs/dbraw/zinc/48/57/50/952485750.db2.gz XKJGCCYTOGOVKC-RISCZKNCSA-N -1 1 382.428 1.435 20 0 GDADMM Cc1nsc(N[C@H]2C[C@@H](NC(=O)Cc3cccs3)C2)c1-c1nn[n-]n1 ZINC001571119935 952497195 /nfs/dbraw/zinc/49/71/95/952497195.db2.gz HHESZYGEIAPAAW-AOOOYVTPSA-N -1 1 375.483 1.995 20 0 GDADMM O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nnn[n-]3)nn1)C2)c1ccccc1 ZINC001571120914 952511690 /nfs/dbraw/zinc/51/16/90/952511690.db2.gz UAOVVYQDSLTTDD-QEJZJMRPSA-N -1 1 376.424 1.444 20 0 GDADMM O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nn[n-]n3)nn1)C2)c1ccccc1 ZINC001571120914 952511697 /nfs/dbraw/zinc/51/16/97/952511697.db2.gz UAOVVYQDSLTTDD-QEJZJMRPSA-N -1 1 376.424 1.444 20 0 GDADMM Cc1nsc(NC[C@H]2CCCN(C(=O)[C@@H]3CCCO3)C2)c1-c1nn[n-]n1 ZINC001571127379 952554270 /nfs/dbraw/zinc/55/42/70/952554270.db2.gz FXFYCSXAWDWMLN-NEPJUHHUSA-N -1 1 377.474 1.461 20 0 GDADMM Cc1nsc(N2CC[C@@](C)(NC(=O)C3CCOCC3)C2)c1-c1nn[n-]n1 ZINC001571127610 952557817 /nfs/dbraw/zinc/55/78/17/952557817.db2.gz JSUQBPPAPFCKAH-MRXNPFEDSA-N -1 1 377.474 1.143 20 0 GDADMM Cc1nsc(NC[C@@]2(C)CCN(C(=O)[C@H]3CCCO3)C2)c1-c1nn[n-]n1 ZINC001571127850 952560695 /nfs/dbraw/zinc/56/06/95/952560695.db2.gz KRQYEDGBSZCVGB-BDJLRTHQSA-N -1 1 377.474 1.461 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1csc(Cl)n1 ZINC001571128404 952566096 /nfs/dbraw/zinc/56/60/96/952566096.db2.gz SRQIXOFTCWFYIJ-LJGSYFOKSA-N -1 1 377.821 1.140 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1csc(Cl)n1 ZINC001571128404 952566097 /nfs/dbraw/zinc/56/60/97/952566097.db2.gz SRQIXOFTCWFYIJ-LJGSYFOKSA-N -1 1 377.821 1.140 20 0 GDADMM Cc1nsc(N[C@H]2C[C@@H](NC(=O)[C@H]3CCO[C@@H](C)C3)C2)c1-c1nn[n-]n1 ZINC001571128412 952567430 /nfs/dbraw/zinc/56/74/30/952567430.db2.gz SYFYTYKLGBCUIN-PDEGPIFNSA-N -1 1 377.474 1.506 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC1CC(CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575215018 952568070 /nfs/dbraw/zinc/56/80/70/952568070.db2.gz RVJKHJZFVSEUPS-UHFFFAOYSA-N -1 1 380.403 1.645 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC1CC(CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575215018 952568074 /nfs/dbraw/zinc/56/80/74/952568074.db2.gz RVJKHJZFVSEUPS-UHFFFAOYSA-N -1 1 380.403 1.645 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575215850 952569158 /nfs/dbraw/zinc/56/91/58/952569158.db2.gz XFHDGXJGADNEDY-SNVBAGLBSA-N -1 1 380.403 1.423 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575215850 952569161 /nfs/dbraw/zinc/56/91/61/952569161.db2.gz XFHDGXJGADNEDY-SNVBAGLBSA-N -1 1 380.403 1.423 20 0 GDADMM O=C(C[C@@H]1CCC(F)(F)C1)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571129164 952573421 /nfs/dbraw/zinc/57/34/21/952573421.db2.gz AQBFNBQUJJRYAU-GARJFASQSA-N -1 1 378.387 1.541 20 0 GDADMM O=C(C[C@@H]1CCC(F)(F)C1)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571129164 952573424 /nfs/dbraw/zinc/57/34/24/952573424.db2.gz AQBFNBQUJJRYAU-GARJFASQSA-N -1 1 378.387 1.541 20 0 GDADMM CCN(C(=O)[C@H]1CCC1(F)F)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571130459 952579972 /nfs/dbraw/zinc/57/99/72/952579972.db2.gz RCIYAVAYVRCIST-WDEREUQCSA-N -1 1 378.387 1.129 20 0 GDADMM COC(=O)[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1c1ccccc1 ZINC001571130677 952582025 /nfs/dbraw/zinc/58/20/25/952582025.db2.gz UHCILZFPXKKKLD-HUUCEWRRSA-N -1 1 378.392 1.291 20 0 GDADMM COC(=O)[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1c1ccccc1 ZINC001571130677 952582026 /nfs/dbraw/zinc/58/20/26/952582026.db2.gz UHCILZFPXKKKLD-HUUCEWRRSA-N -1 1 378.392 1.291 20 0 GDADMM Cc1ccccc1C(=O)N(C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571134032 952585321 /nfs/dbraw/zinc/58/53/21/952585321.db2.gz BVMCFDZEGUWOFU-UHFFFAOYSA-N -1 1 378.440 1.706 20 0 GDADMM Cc1ccccc1C(=O)N(C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571134032 952585323 /nfs/dbraw/zinc/58/53/23/952585323.db2.gz BVMCFDZEGUWOFU-UHFFFAOYSA-N -1 1 378.440 1.706 20 0 GDADMM Cc1ccc(C(=O)NC[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)cc1C ZINC001571134043 952585415 /nfs/dbraw/zinc/58/54/15/952585415.db2.gz CEBMYYZNZIVLLD-CTYIDZIISA-N -1 1 378.440 1.894 20 0 GDADMM Cc1ccc(C(=O)NC[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)cc1C ZINC001571134043 952585419 /nfs/dbraw/zinc/58/54/19/952585419.db2.gz CEBMYYZNZIVLLD-CTYIDZIISA-N -1 1 378.440 1.894 20 0 GDADMM Cc1cccc(C(=O)N2C[C@H](C)[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571134263 952588548 /nfs/dbraw/zinc/58/85/48/952588548.db2.gz GSBNRFJWJBAMMU-DZGCQCFKSA-N -1 1 378.440 1.785 20 0 GDADMM Cc1cccc(C(=O)N2C[C@H](C)[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571134263 952588550 /nfs/dbraw/zinc/58/85/50/952588550.db2.gz GSBNRFJWJBAMMU-DZGCQCFKSA-N -1 1 378.440 1.785 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)N(c3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001571134466 952590446 /nfs/dbraw/zinc/59/04/46/952590446.db2.gz IKPBYUGSMYMNCE-DZGCQCFKSA-N -1 1 378.440 1.752 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)N(c3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001571134466 952590452 /nfs/dbraw/zinc/59/04/52/952590452.db2.gz IKPBYUGSMYMNCE-DZGCQCFKSA-N -1 1 378.440 1.752 20 0 GDADMM C[C@H]1C[C@H]1C(=O)NCc1ccc(CCNc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001571134772 952595020 /nfs/dbraw/zinc/59/50/20/952595020.db2.gz LIPCECPQUJQZRK-SWLSCSKDSA-N -1 1 378.440 1.584 20 0 GDADMM C[C@H]1C[C@H]1C(=O)NCc1ccc(CCNc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001571134772 952595024 /nfs/dbraw/zinc/59/50/24/952595024.db2.gz LIPCECPQUJQZRK-SWLSCSKDSA-N -1 1 378.440 1.584 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@H](C)C2)c1 ZINC001571134808 952595347 /nfs/dbraw/zinc/59/53/47/952595347.db2.gz NDJKRCJKEXOSAI-HIFRSBDPSA-N -1 1 378.440 1.350 20 0 GDADMM Cc1cccc(C(=O)N[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)[C@@H]2C)c1 ZINC001571135003 952598364 /nfs/dbraw/zinc/59/83/64/952598364.db2.gz PPBPAUYEWWWSPB-HIFRSBDPSA-N -1 1 378.440 1.752 20 0 GDADMM Cc1cccc(C(=O)N[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)[C@@H]2C)c1 ZINC001571135003 952598369 /nfs/dbraw/zinc/59/83/69/952598369.db2.gz PPBPAUYEWWWSPB-HIFRSBDPSA-N -1 1 378.440 1.752 20 0 GDADMM CCc1ccc(C(=O)N[C@]2(C)CCN(c3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001571134995 952598442 /nfs/dbraw/zinc/59/84/42/952598442.db2.gz OKVKBWKAYCXTOC-LJQANCHMSA-N -1 1 378.440 1.618 20 0 GDADMM CCc1ccc(C(=O)N[C@]2(C)CCN(c3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571134995 952598444 /nfs/dbraw/zinc/59/84/44/952598444.db2.gz OKVKBWKAYCXTOC-LJQANCHMSA-N -1 1 378.440 1.618 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@](C)(CNc3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001571135036 952598608 /nfs/dbraw/zinc/59/86/08/952598608.db2.gz QMKOITIQGCWIAQ-IBGZPJMESA-N -1 1 378.440 1.929 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@](C)(CNc3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001571135036 952598611 /nfs/dbraw/zinc/59/86/11/952598611.db2.gz QMKOITIQGCWIAQ-IBGZPJMESA-N -1 1 378.440 1.929 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001571135341 952602756 /nfs/dbraw/zinc/60/27/56/952602756.db2.gz UKZXZKCZBSLDOF-HIFRSBDPSA-N -1 1 378.440 1.285 20 0 GDADMM Cc1cc(C)cc(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)[C@@H]2C)c1 ZINC001571135580 952605838 /nfs/dbraw/zinc/60/58/38/952605838.db2.gz XNFGVZQBFZNQSJ-HIFRSBDPSA-N -1 1 378.440 1.671 20 0 GDADMM Cc1cc(C)cc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)[C@@H]2C)c1 ZINC001571135580 952605844 /nfs/dbraw/zinc/60/58/44/952605844.db2.gz XNFGVZQBFZNQSJ-HIFRSBDPSA-N -1 1 378.440 1.671 20 0 GDADMM CCc1ccc(C(=O)NC[C@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001571135637 952606813 /nfs/dbraw/zinc/60/68/13/952606813.db2.gz ZQUOBLNWHJWLEU-OAHLLOKOSA-N -1 1 378.440 1.618 20 0 GDADMM CCc1ccc(C(=O)NC[C@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001571135637 952606816 /nfs/dbraw/zinc/60/68/16/952606816.db2.gz ZQUOBLNWHJWLEU-OAHLLOKOSA-N -1 1 378.440 1.618 20 0 GDADMM COc1ccc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)c(C(F)(F)F)n1 ZINC001571142002 952637921 /nfs/dbraw/zinc/63/79/21/952637921.db2.gz NAHDVVSUGVTIPK-UHFFFAOYSA-N -1 1 379.302 1.865 20 0 GDADMM COc1ccc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)c(C(F)(F)F)n1 ZINC001571142002 952637924 /nfs/dbraw/zinc/63/79/24/952637924.db2.gz NAHDVVSUGVTIPK-UHFFFAOYSA-N -1 1 379.302 1.865 20 0 GDADMM C[C@@H](C(=O)N(C)C1CC(Nc2cncc(-c3nnn[n-]3)n2)C1)c1cccnc1 ZINC001571146698 952651311 /nfs/dbraw/zinc/65/13/11/952651311.db2.gz AUKIWDQIJODODJ-LMWSTFAQSA-N -1 1 379.428 1.257 20 0 GDADMM C[C@@H](C(=O)N(C)C1CC(Nc2cncc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001571146698 952651321 /nfs/dbraw/zinc/65/13/21/952651321.db2.gz AUKIWDQIJODODJ-LMWSTFAQSA-N -1 1 379.428 1.257 20 0 GDADMM CCc1cccnc1C(=O)N1CC[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571146719 952652479 /nfs/dbraw/zinc/65/24/79/952652479.db2.gz AXZWAQZDWFEGTM-ZDUSSCGKSA-N -1 1 379.428 1.249 20 0 GDADMM CCc1cccnc1C(=O)N1CC[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571146719 952652482 /nfs/dbraw/zinc/65/24/82/952652482.db2.gz AXZWAQZDWFEGTM-ZDUSSCGKSA-N -1 1 379.428 1.249 20 0 GDADMM CC(C)c1ccc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)nc1 ZINC001571147180 952657926 /nfs/dbraw/zinc/65/79/26/952657926.db2.gz IHJDRPDBMQXYRL-CYBMUJFWSA-N -1 1 379.428 1.502 20 0 GDADMM CC(C)c1ccc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)nc1 ZINC001571147180 952657929 /nfs/dbraw/zinc/65/79/29/952657929.db2.gz IHJDRPDBMQXYRL-CYBMUJFWSA-N -1 1 379.428 1.502 20 0 GDADMM O=C(c1cc[nH]c1)N1CCC2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001571147250 952658426 /nfs/dbraw/zinc/65/84/26/952658426.db2.gz VKFVBQMFKFBFAG-UHFFFAOYSA-N -1 1 379.428 1.118 20 0 GDADMM O=C(c1cc[nH]c1)N1CCC2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001571147250 952658430 /nfs/dbraw/zinc/65/84/30/952658430.db2.gz VKFVBQMFKFBFAG-UHFFFAOYSA-N -1 1 379.428 1.118 20 0 GDADMM O=C(c1cc2c([nH]1)CCCC2)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571147257 952659095 /nfs/dbraw/zinc/65/90/95/952659095.db2.gz VVMOOPGANDDLAY-GFCCVEGCSA-N -1 1 379.428 1.190 20 0 GDADMM O=C(c1cc2c([nH]1)CCCC2)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571147257 952659097 /nfs/dbraw/zinc/65/90/97/952659097.db2.gz VVMOOPGANDDLAY-GFCCVEGCSA-N -1 1 379.428 1.190 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571148457 952667213 /nfs/dbraw/zinc/66/72/13/952667213.db2.gz ZYIJKIMJVPSHGL-CYBMUJFWSA-N -1 1 379.428 1.184 20 0 GDADMM O=C(c1cccnc1)N1CCCCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571151051 952672422 /nfs/dbraw/zinc/67/24/22/952672422.db2.gz KCHQWGUCMFAWPG-AWEZNQCLSA-N -1 1 379.428 1.549 20 0 GDADMM O=C(c1cccnc1)N1CCCCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571151051 952672425 /nfs/dbraw/zinc/67/24/25/952672425.db2.gz KCHQWGUCMFAWPG-AWEZNQCLSA-N -1 1 379.428 1.549 20 0 GDADMM Cc1ccc([C@@H](CC(F)(F)F)NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC001571152907 952683918 /nfs/dbraw/zinc/68/39/18/952683918.db2.gz KTUUANZSIPIBSC-LLVKDONJSA-N -1 1 380.334 1.577 20 0 GDADMM Cc1c[nH]nc1C(=O)N[C@H]1C[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571153307 952685238 /nfs/dbraw/zinc/68/52/38/952685238.db2.gz NUTCDDZYANQAEH-LJGSYFOKSA-N -1 1 379.837 1.381 20 0 GDADMM Cn1ccnc1[C@@H](CC(=O)NCc1ccnc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001571153358 952685903 /nfs/dbraw/zinc/68/59/03/952685903.db2.gz PMPAZICAZJRSIQ-SNVBAGLBSA-N -1 1 380.334 1.348 20 0 GDADMM Cn1ccnc1[C@@H](CC(=O)NCc1ccnc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001571153358 952685908 /nfs/dbraw/zinc/68/59/08/952685908.db2.gz PMPAZICAZJRSIQ-SNVBAGLBSA-N -1 1 380.334 1.348 20 0 GDADMM CC(C)c1ccoc1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1 ZINC001571155314 952695925 /nfs/dbraw/zinc/69/59/25/952695925.db2.gz NPTHCNGAVRWLBB-RYUDHWBXSA-N -1 1 380.412 1.476 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CN(C(=O)CC(C)(F)F)C[C@H]2C)n1 ZINC001571155579 952698957 /nfs/dbraw/zinc/69/89/57/952698957.db2.gz XIGAYVVDJCINKS-KOLCDFICSA-N -1 1 380.403 1.517 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CN(C(=O)CC(C)(F)F)C[C@H]2C)n1 ZINC001571155579 952698959 /nfs/dbraw/zinc/69/89/59/952698959.db2.gz XIGAYVVDJCINKS-KOLCDFICSA-N -1 1 380.403 1.517 20 0 GDADMM Cc1cncc(C(=O)N[C@@H]2CCCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)c1 ZINC001571156015 952700701 /nfs/dbraw/zinc/70/07/01/952700701.db2.gz ATZNUBCWGANIMQ-CQSZACIVSA-N -1 1 379.428 1.067 20 0 GDADMM Cc1cncc(C(=O)N[C@@H]2CCCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)c1 ZINC001571156015 952700703 /nfs/dbraw/zinc/70/07/03/952700703.db2.gz ATZNUBCWGANIMQ-CQSZACIVSA-N -1 1 379.428 1.067 20 0 GDADMM Cc1ccc(C(=O)N2C[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)[C@H](C)C2)cn1 ZINC001571156086 952700992 /nfs/dbraw/zinc/70/09/92/952700992.db2.gz CDHMAUPXTUFRMS-BXUZGUMPSA-N -1 1 379.428 1.180 20 0 GDADMM Cc1ccc(C(=O)N2C[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)[C@H](C)C2)cn1 ZINC001571156086 952700997 /nfs/dbraw/zinc/70/09/97/952700997.db2.gz CDHMAUPXTUFRMS-BXUZGUMPSA-N -1 1 379.428 1.180 20 0 GDADMM Cc1cccnc1C(=O)NC[C@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571156782 952704460 /nfs/dbraw/zinc/70/44/60/952704460.db2.gz JLFZATYOZPODEM-CYBMUJFWSA-N -1 1 379.428 1.149 20 0 GDADMM Cc1cccnc1C(=O)NC[C@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571156782 952704463 /nfs/dbraw/zinc/70/44/63/952704463.db2.gz JLFZATYOZPODEM-CYBMUJFWSA-N -1 1 379.428 1.149 20 0 GDADMM Cc1cncc(C(=O)NC[C@@H]2CCCN2c2nc(C)cc(-c3nnn[n-]3)n2)c1 ZINC001571156761 952705022 /nfs/dbraw/zinc/70/50/22/952705022.db2.gz IYJINHZENQVTCE-AWEZNQCLSA-N -1 1 379.428 1.067 20 0 GDADMM Cc1cncc(C(=O)NC[C@@H]2CCCN2c2nc(C)cc(-c3nn[n-]n3)n2)c1 ZINC001571156761 952705028 /nfs/dbraw/zinc/70/50/28/952705028.db2.gz IYJINHZENQVTCE-AWEZNQCLSA-N -1 1 379.428 1.067 20 0 GDADMM Cc1cc(C)nc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571158117 952710310 /nfs/dbraw/zinc/71/03/10/952710310.db2.gz REYUVVGWOFTYDC-ZDUSSCGKSA-N -1 1 379.428 1.067 20 0 GDADMM Cc1cc(C)nc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571158117 952710315 /nfs/dbraw/zinc/71/03/15/952710315.db2.gz REYUVVGWOFTYDC-ZDUSSCGKSA-N -1 1 379.428 1.067 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1nccc(C2CC2)n1 ZINC001571158455 952710759 /nfs/dbraw/zinc/71/07/59/952710759.db2.gz IEJILBMFXNVCGR-UHFFFAOYSA-N -1 1 380.412 1.823 20 0 GDADMM COc1cccc(C(=O)N(C)C2CC(Nc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571159313 952718559 /nfs/dbraw/zinc/71/85/59/952718559.db2.gz UHPYAMDBLFUJSQ-UHFFFAOYSA-N -1 1 380.412 1.380 20 0 GDADMM COc1cccc(C(=O)N(C)C2CC(Nc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571159313 952718564 /nfs/dbraw/zinc/71/85/64/952718564.db2.gz UHPYAMDBLFUJSQ-UHFFFAOYSA-N -1 1 380.412 1.380 20 0 GDADMM COc1cccc(C(=O)N2CCC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571159345 952718720 /nfs/dbraw/zinc/71/87/20/952718720.db2.gz UXAJVSMIFNNZGL-CYBMUJFWSA-N -1 1 380.412 1.382 20 0 GDADMM COc1cccc(C(=O)N2CCC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571159345 952718723 /nfs/dbraw/zinc/71/87/23/952718723.db2.gz UXAJVSMIFNNZGL-CYBMUJFWSA-N -1 1 380.412 1.382 20 0 GDADMM Cc1occc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571160012 952723235 /nfs/dbraw/zinc/72/32/35/952723235.db2.gz AOTSILBPJUKPIZ-OLZOCXBDSA-N -1 1 380.412 1.442 20 0 GDADMM O=C(Cc1ccoc1)N1CCC[C@@H]2[C@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001571160241 952723951 /nfs/dbraw/zinc/72/39/51/952723951.db2.gz FPUYOTMYELYCIK-ZIAGYGMSSA-N -1 1 380.412 1.062 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001571160310 952725058 /nfs/dbraw/zinc/72/50/58/952725058.db2.gz YIFOAAIEUYBTKB-KGLIPLIRSA-N -1 1 379.428 1.177 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001571160310 952725063 /nfs/dbraw/zinc/72/50/63/952725063.db2.gz YIFOAAIEUYBTKB-KGLIPLIRSA-N -1 1 379.428 1.177 20 0 GDADMM O=C(NC1CCC(Nc2ncccc2-c2nn[nH]n2)CC1)c1ncccc1[O-] ZINC001571161251 952731559 /nfs/dbraw/zinc/73/15/59/952731559.db2.gz SPKCSQJQTJOBRD-UHFFFAOYSA-N -1 1 380.412 1.515 20 0 GDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@H]1CC[C@H](c2nccc(=O)[nH]2)CC1 ZINC001571161411 952732080 /nfs/dbraw/zinc/73/20/80/952732080.db2.gz UZBGKGQPXSEBME-JOCQHMNTSA-N -1 1 380.412 1.142 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)[C@H]2CC(c3ccccn3)=NO2)n1 ZINC001571171904 952799136 /nfs/dbraw/zinc/79/91/36/952799136.db2.gz ZGZVIGPZBVPECG-CYBMUJFWSA-N -1 1 381.400 1.345 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)[C@H]2CC(c3ccccn3)=NO2)n1 ZINC001571171904 952799137 /nfs/dbraw/zinc/79/91/37/952799137.db2.gz ZGZVIGPZBVPECG-CYBMUJFWSA-N -1 1 381.400 1.345 20 0 GDADMM C[C@H]1C[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CN1C(=O)c1ccon1 ZINC001571172012 952800495 /nfs/dbraw/zinc/80/04/95/952800495.db2.gz KMCRTUPLTGFVFX-BQBZGAKWSA-N -1 1 380.821 1.680 20 0 GDADMM O=C([C@@H]1CCCC2(CC2)C1)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571172174 952802177 /nfs/dbraw/zinc/80/21/77/952802177.db2.gz OKYWHDROHWDQRC-RDBSUJKOSA-N -1 1 380.456 1.417 20 0 GDADMM O=C([C@@H]1CCCC2(CC2)C1)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571172174 952802186 /nfs/dbraw/zinc/80/21/86/952802186.db2.gz OKYWHDROHWDQRC-RDBSUJKOSA-N -1 1 380.456 1.417 20 0 GDADMM O=C(c1cnoc1C1CC1)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571178385 952840656 /nfs/dbraw/zinc/84/06/56/952840656.db2.gz HJSNJCFWPFLBMN-LLVKDONJSA-N -1 1 381.400 1.239 20 0 GDADMM O=C(c1cnoc1C1CC1)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571178385 952840661 /nfs/dbraw/zinc/84/06/61/952840661.db2.gz HJSNJCFWPFLBMN-LLVKDONJSA-N -1 1 381.400 1.239 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001571183956 952885996 /nfs/dbraw/zinc/88/59/96/952885996.db2.gz NHXKLIFYZYUFSM-OLZOCXBDSA-N -1 1 381.444 1.436 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001571183956 952886002 /nfs/dbraw/zinc/88/60/02/952886002.db2.gz NHXKLIFYZYUFSM-OLZOCXBDSA-N -1 1 381.444 1.436 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1)n1cccc1 ZINC001571184079 952888260 /nfs/dbraw/zinc/88/82/60/952888260.db2.gz PUXUKLCXZNXUAY-UONOGXRCSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1)n1cccc1 ZINC001571184079 952888265 /nfs/dbraw/zinc/88/82/65/952888265.db2.gz PUXUKLCXZNXUAY-UONOGXRCSA-N -1 1 381.444 1.512 20 0 GDADMM CCc1[nH]ccc1C(=O)N1CCC(CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571184272 952890822 /nfs/dbraw/zinc/89/08/22/952890822.db2.gz VDKWAZUPXZHTIG-UHFFFAOYSA-N -1 1 381.444 1.512 20 0 GDADMM CCc1[nH]ccc1C(=O)N1CCC(CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571184272 952890826 /nfs/dbraw/zinc/89/08/26/952890826.db2.gz VDKWAZUPXZHTIG-UHFFFAOYSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccn(C)c2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571184457 952893731 /nfs/dbraw/zinc/89/37/31/952893731.db2.gz ZOWQFBCKRZPFLW-TZMCWYRMSA-N -1 1 381.444 1.206 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccn(C)c2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571184457 952893737 /nfs/dbraw/zinc/89/37/37/952893737.db2.gz ZOWQFBCKRZPFLW-TZMCWYRMSA-N -1 1 381.444 1.206 20 0 GDADMM Cc1c(C(=O)N[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)[C@@H]2C)ccn1C ZINC001571185029 952900250 /nfs/dbraw/zinc/90/02/50/952900250.db2.gz GYHAIBHBAZDGNS-OCCSQVGLSA-N -1 1 381.444 1.091 20 0 GDADMM Cc1c(C(=O)N[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)[C@@H]2C)ccn1C ZINC001571185029 952900251 /nfs/dbraw/zinc/90/02/51/952900251.db2.gz GYHAIBHBAZDGNS-OCCSQVGLSA-N -1 1 381.444 1.091 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccn(C)c2)[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571186099 952904985 /nfs/dbraw/zinc/90/49/85/952904985.db2.gz SIAIMMRSPYWPRT-OCCSQVGLSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccn(C)c2)[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571186099 952904988 /nfs/dbraw/zinc/90/49/88/952904988.db2.gz SIAIMMRSPYWPRT-OCCSQVGLSA-N -1 1 381.444 1.348 20 0 GDADMM Cc1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c(F)c1 ZINC001571196978 952985696 /nfs/dbraw/zinc/98/56/96/952985696.db2.gz QZQGQBPVGNILPU-IAQYHMDHSA-N -1 1 382.403 1.677 20 0 GDADMM Cc1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c(F)c1 ZINC001571196978 952985703 /nfs/dbraw/zinc/98/57/03/952985703.db2.gz QZQGQBPVGNILPU-IAQYHMDHSA-N -1 1 382.403 1.677 20 0 GDADMM Cc1ccc(F)cc1C(=O)N1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)[C@@H](C)C1 ZINC001571197099 952986555 /nfs/dbraw/zinc/98/65/55/952986555.db2.gz RVWIEAGNSWGOKC-NHYWBVRUSA-N -1 1 382.403 1.677 20 0 GDADMM Cc1ccc(F)cc1C(=O)N1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)[C@@H](C)C1 ZINC001571197099 952986557 /nfs/dbraw/zinc/98/65/57/952986557.db2.gz RVWIEAGNSWGOKC-NHYWBVRUSA-N -1 1 382.403 1.677 20 0 GDADMM O=C([C@@H](F)c1ccccc1)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571197167 952987029 /nfs/dbraw/zinc/98/70/29/952987029.db2.gz TUVUDWSKXJHPHZ-HIFRSBDPSA-N -1 1 382.403 1.192 20 0 GDADMM C[C@@]1(CNc2ccc(-c3nnn[n-]3)nn2)CCN(C(=O)c2ccc(F)cc2)C1 ZINC001571197237 952987248 /nfs/dbraw/zinc/98/72/48/952987248.db2.gz USEHNIPVSQUYNZ-SFHVURJKSA-N -1 1 382.403 1.760 20 0 GDADMM C[C@@]1(CNc2ccc(-c3nn[n-]n3)nn2)CCN(C(=O)c2ccc(F)cc2)C1 ZINC001571197237 952987253 /nfs/dbraw/zinc/98/72/53/952987253.db2.gz USEHNIPVSQUYNZ-SFHVURJKSA-N -1 1 382.403 1.760 20 0 GDADMM C[C@@H]1CN(C(=O)c2cccc(F)c2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571197306 952988919 /nfs/dbraw/zinc/98/89/19/952988919.db2.gz VXEDDKLYEJBQNF-YPMHNXCESA-N -1 1 382.403 1.616 20 0 GDADMM C[C@@H]1CN(C(=O)c2cccc(F)c2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571197306 952988928 /nfs/dbraw/zinc/98/89/28/952988928.db2.gz VXEDDKLYEJBQNF-YPMHNXCESA-N -1 1 382.403 1.616 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](N(CC)C(=O)c3ccoc3)C2)n1 ZINC001571198914 952995089 /nfs/dbraw/zinc/99/50/89/952995089.db2.gz ICAVLYGLVTXXHL-ZDUSSCGKSA-N -1 1 382.428 1.553 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](N(CC)C(=O)c3ccoc3)C2)n1 ZINC001571198914 952995092 /nfs/dbraw/zinc/99/50/92/952995092.db2.gz ICAVLYGLVTXXHL-ZDUSSCGKSA-N -1 1 382.428 1.553 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@@H](N(C)c3nc(C)cc(-c4nnn[n-]4)n3)C2)o1 ZINC001571199113 952996676 /nfs/dbraw/zinc/99/66/76/952996676.db2.gz LXSYNSFSMQPAGQ-CYBMUJFWSA-N -1 1 382.428 1.146 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@@H](N(C)c3nc(C)cc(-c4nn[n-]n4)n3)C2)o1 ZINC001571199113 952996679 /nfs/dbraw/zinc/99/66/79/952996679.db2.gz LXSYNSFSMQPAGQ-CYBMUJFWSA-N -1 1 382.428 1.146 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CCCN(c3nc(C)cc(-c4nnn[n-]4)n3)CC2)o1 ZINC001571199239 952997836 /nfs/dbraw/zinc/99/78/36/952997836.db2.gz OCVVSLAODATTMG-CYBMUJFWSA-N -1 1 382.428 1.655 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CCCN(c3nc(C)cc(-c4nn[n-]n4)n3)CC2)o1 ZINC001571199239 952997838 /nfs/dbraw/zinc/99/78/38/952997838.db2.gz OCVVSLAODATTMG-CYBMUJFWSA-N -1 1 382.428 1.655 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@@H]2CCCN2C(=O)Cc2ccco2)n1 ZINC001571199638 953003139 /nfs/dbraw/zinc/00/31/39/953003139.db2.gz XDTLWCPGNQOJMG-ZDUSSCGKSA-N -1 1 382.428 1.228 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@@H]2CCCN2C(=O)Cc2ccco2)n1 ZINC001571199638 953003144 /nfs/dbraw/zinc/00/31/44/953003144.db2.gz XDTLWCPGNQOJMG-ZDUSSCGKSA-N -1 1 382.428 1.228 20 0 GDADMM Cc1cocc1C(=O)N[C@H](C)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571200762 953011853 /nfs/dbraw/zinc/01/18/53/953011853.db2.gz FWGZPVWZJLASGX-OLZOCXBDSA-N -1 1 382.428 1.593 20 0 GDADMM Cc1cocc1C(=O)N[C@H](C)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571200762 953011856 /nfs/dbraw/zinc/01/18/56/953011856.db2.gz FWGZPVWZJLASGX-OLZOCXBDSA-N -1 1 382.428 1.593 20 0 GDADMM Cc1ccc([C@H](C)C(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)o1 ZINC001571201024 953014194 /nfs/dbraw/zinc/01/41/94/953014194.db2.gz IENMAXQLKQXWPS-QWHCGFSZSA-N -1 1 382.428 1.187 20 0 GDADMM O=C(c1ccc(CF)cc1)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571201116 953014627 /nfs/dbraw/zinc/01/46/27/953014627.db2.gz MVTCSJWJPDLFCF-UHFFFAOYSA-N -1 1 382.403 1.479 20 0 GDADMM O=C(c1ccc(F)cc1)N1CCC(CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571201111 953014946 /nfs/dbraw/zinc/01/49/46/953014946.db2.gz MTWRWHBPRRLSKW-UHFFFAOYSA-N -1 1 382.403 1.760 20 0 GDADMM O=C(c1ccc(F)cc1)N1CCC(CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571201111 953014952 /nfs/dbraw/zinc/01/49/52/953014952.db2.gz MTWRWHBPRRLSKW-UHFFFAOYSA-N -1 1 382.403 1.760 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)c1cccc(F)c1 ZINC001571201166 953016420 /nfs/dbraw/zinc/01/64/20/953016420.db2.gz ORIYFMADEZPRAW-AWEZNQCLSA-N -1 1 382.403 1.585 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)[C@H](C)C2)c(C)o1 ZINC001571201778 953019761 /nfs/dbraw/zinc/01/97/61/953019761.db2.gz OCPQVTRPNFGOFD-MFKMUULPSA-N -1 1 382.428 1.654 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)[C@H](C)C2)c(C)o1 ZINC001571201778 953019765 /nfs/dbraw/zinc/01/97/65/953019765.db2.gz OCPQVTRPNFGOFD-MFKMUULPSA-N -1 1 382.428 1.654 20 0 GDADMM CCCc1occc1C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001571202073 953021599 /nfs/dbraw/zinc/02/15/99/953021599.db2.gz UZLIICRMPWMAFS-AAEUAGOBSA-N -1 1 382.428 1.917 20 0 GDADMM CCCc1occc1C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001571202073 953021603 /nfs/dbraw/zinc/02/16/03/953021603.db2.gz UZLIICRMPWMAFS-AAEUAGOBSA-N -1 1 382.428 1.917 20 0 GDADMM Cc1cc(C)c(C(=O)NC[C@H]2CCCCN2c2nccnc2-c2nnn[n-]2)o1 ZINC001571202278 953024056 /nfs/dbraw/zinc/02/40/56/953024056.db2.gz SKEAMYMERXESFP-CYBMUJFWSA-N -1 1 382.428 1.655 20 0 GDADMM Cc1cc(C)c(C(=O)NC[C@H]2CCCCN2c2nccnc2-c2nn[n-]n2)o1 ZINC001571202278 953024061 /nfs/dbraw/zinc/02/40/61/953024061.db2.gz SKEAMYMERXESFP-CYBMUJFWSA-N -1 1 382.428 1.655 20 0 GDADMM CC(C)n1cnc(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)[C@@H]2C)c1 ZINC001571205131 953036064 /nfs/dbraw/zinc/03/60/64/953036064.db2.gz FYOZBRAARFYTAB-RYUDHWBXSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1cnc(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)[C@@H]2C)c1 ZINC001571205131 953036068 /nfs/dbraw/zinc/03/60/68/953036068.db2.gz FYOZBRAARFYTAB-RYUDHWBXSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1nccc1C(=O)N1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C[C@@H]1C ZINC001571205184 953036076 /nfs/dbraw/zinc/03/60/76/953036076.db2.gz HARCZHSIGSUJIH-RYUDHWBXSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1nccc1C(=O)N1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C[C@@H]1C ZINC001571205184 953036081 /nfs/dbraw/zinc/03/60/81/953036081.db2.gz HARCZHSIGSUJIH-RYUDHWBXSA-N -1 1 382.432 1.149 20 0 GDADMM Cc1oc(C)c(C(=O)N(C)[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1C ZINC001571206934 953057644 /nfs/dbraw/zinc/05/76/44/953057644.db2.gz UJOAIKDQISTPQY-CYBMUJFWSA-N -1 1 382.428 1.526 20 0 GDADMM Cc1oc(C)c(C(=O)N2C[C@H](C)[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1C ZINC001571207148 953059987 /nfs/dbraw/zinc/05/99/87/953059987.db2.gz WIKFGIXVDKKDHA-LKFCYVNXSA-N -1 1 382.428 1.748 20 0 GDADMM Cc1oc(C)c(C(=O)N2C[C@H](C)[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1C ZINC001571207148 953059992 /nfs/dbraw/zinc/05/99/92/953059992.db2.gz WIKFGIXVDKKDHA-LKFCYVNXSA-N -1 1 382.428 1.748 20 0 GDADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1CCN(C(=O)C2(C3CC3)CC2)CC1 ZINC001571211544 953077693 /nfs/dbraw/zinc/07/76/93/953077693.db2.gz BBWSEOCXDTVSKV-GFCCVEGCSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CCN(C(=O)C2(C3CC3)CC2)CC1 ZINC001571211544 953077694 /nfs/dbraw/zinc/07/76/94/953077694.db2.gz BBWSEOCXDTVSKV-GFCCVEGCSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1NC(=O)C12CCC(CC1)CC2 ZINC001571212010 953083135 /nfs/dbraw/zinc/08/31/35/953083135.db2.gz HIRAKPDSLOITQY-CECOHMBGSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1NC(=O)C12CCC(CC1)CC2 ZINC001571212010 953083141 /nfs/dbraw/zinc/08/31/41/953083141.db2.gz HIRAKPDSLOITQY-CECOHMBGSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H]1CCCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571212091 953083476 /nfs/dbraw/zinc/08/34/76/953083476.db2.gz IPSOWEQBIXPXNB-NIFZNCRKSA-N -1 1 382.472 1.164 20 0 GDADMM C[C@H]1C[C@H]1C(=O)N1CCC(N(CC2CC2)c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571212439 953088032 /nfs/dbraw/zinc/08/80/32/953088032.db2.gz LQJADAOOMCYZRJ-SWLSCSKDSA-N -1 1 382.472 1.520 20 0 GDADMM C[C@H]1C[C@H]1C(=O)N1CCC(N(CC2CC2)c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571212439 953088036 /nfs/dbraw/zinc/08/80/36/953088036.db2.gz LQJADAOOMCYZRJ-SWLSCSKDSA-N -1 1 382.472 1.520 20 0 GDADMM CCc1nc(N[C@H]2C[C@@H](CNC(=O)C3CC4(CC4)C3)C2)cc(-c2nnn[n-]2)n1 ZINC001571212978 953091608 /nfs/dbraw/zinc/09/16/08/953091608.db2.gz PBHBFOUGYBBLJV-BJHJDKERSA-N -1 1 382.472 1.716 20 0 GDADMM CCc1nc(N[C@H]2C[C@@H](CNC(=O)C3CC4(CC4)C3)C2)cc(-c2nn[n-]n2)n1 ZINC001571212978 953091611 /nfs/dbraw/zinc/09/16/11/953091611.db2.gz PBHBFOUGYBBLJV-BJHJDKERSA-N -1 1 382.472 1.716 20 0 GDADMM CC1(C)CC[C@@H]1C(=O)N[C@@]12CCC[C@@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001571213266 953094226 /nfs/dbraw/zinc/09/42/26/953094226.db2.gz QOUAZZMOSZXTEE-QHRIQVFBSA-N -1 1 382.472 1.711 20 0 GDADMM O=C(NC[C@@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1)C1CC2(CCC2)C1 ZINC001571216911 953104665 /nfs/dbraw/zinc/10/46/65/953104665.db2.gz CBLKQSTZLQOOCT-AWEZNQCLSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(NC1(C2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)CC1)C1CCCC1 ZINC001571218482 953116138 /nfs/dbraw/zinc/11/61/38/953116138.db2.gz PBKTVADMZLXYHG-UHFFFAOYSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(C(C1CC1)C1CC1)N1CCC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571219065 953122701 /nfs/dbraw/zinc/12/27/01/953122701.db2.gz UHUBPLWBRYNWBU-GFCCVEGCSA-N -1 1 382.472 1.165 20 0 GDADMM O=C(C1CCC1)N1CCCC[C@@H]1[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1 ZINC001571219125 953123361 /nfs/dbraw/zinc/12/33/61/953123361.db2.gz VYOIJILKKVNYMC-LSDHHAIUSA-N -1 1 382.472 1.807 20 0 GDADMM O=C(C1CCC1)N1CCCC[C@@H]1[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1 ZINC001571219125 953123364 /nfs/dbraw/zinc/12/33/64/953123364.db2.gz VYOIJILKKVNYMC-LSDHHAIUSA-N -1 1 382.472 1.807 20 0 GDADMM O=C(N[C@H]1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1)c1ccncc1F ZINC001571219773 953127386 /nfs/dbraw/zinc/12/73/86/953127386.db2.gz SJFCRADZNOHLQY-GWCFXTLKSA-N -1 1 383.391 1.201 20 0 GDADMM O=C(N[C@H]1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1)c1ccncc1F ZINC001571219773 953127388 /nfs/dbraw/zinc/12/73/88/953127388.db2.gz SJFCRADZNOHLQY-GWCFXTLKSA-N -1 1 383.391 1.201 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001571222823 953138270 /nfs/dbraw/zinc/13/82/70/953138270.db2.gz LPLUTOBMKQMGPT-ZWNOBZJWSA-N -1 1 383.416 1.023 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001571222823 953138271 /nfs/dbraw/zinc/13/82/71/953138271.db2.gz LPLUTOBMKQMGPT-ZWNOBZJWSA-N -1 1 383.416 1.023 20 0 GDADMM CCCc1nc(C(=O)N2C[C@@H](C)[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)co1 ZINC001571222897 953139582 /nfs/dbraw/zinc/13/95/82/953139582.db2.gz MXRLFPJOCMKQBO-ZYHUDNBSSA-N -1 1 383.416 1.170 20 0 GDADMM CCCc1nc(C(=O)N2C[C@@H](C)[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)co1 ZINC001571222897 953139585 /nfs/dbraw/zinc/13/95/85/953139585.db2.gz MXRLFPJOCMKQBO-ZYHUDNBSSA-N -1 1 383.416 1.170 20 0 GDADMM CC(C)c1cc(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)[C@@H]2C)on1 ZINC001571222854 953139784 /nfs/dbraw/zinc/13/97/84/953139784.db2.gz MCBOUUGCGAHKMX-QWRGUYRKSA-N -1 1 383.416 1.483 20 0 GDADMM CC(C)c1cc(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)[C@@H]2C)on1 ZINC001571222854 953139789 /nfs/dbraw/zinc/13/97/89/953139789.db2.gz MCBOUUGCGAHKMX-QWRGUYRKSA-N -1 1 383.416 1.483 20 0 GDADMM CC[C@H]1CN(C(=O)c2ocnc2C)CC[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571223144 953141180 /nfs/dbraw/zinc/14/11/80/953141180.db2.gz OJGLCARSQVOKGG-RYUDHWBXSA-N -1 1 383.416 1.306 20 0 GDADMM CC[C@H]1CN(C(=O)c2ocnc2C)CC[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571223144 953141182 /nfs/dbraw/zinc/14/11/82/953141182.db2.gz OJGLCARSQVOKGG-RYUDHWBXSA-N -1 1 383.416 1.306 20 0 GDADMM CC(C)c1cc(C(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C[C@H]2C)no1 ZINC001571223383 953144560 /nfs/dbraw/zinc/14/45/60/953144560.db2.gz QLVXCAUXDSHUQR-GHMZBOCLSA-N -1 1 383.416 1.483 20 0 GDADMM CC(C)c1cc(C(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C[C@H]2C)no1 ZINC001571223383 953144563 /nfs/dbraw/zinc/14/45/63/953144563.db2.gz QLVXCAUXDSHUQR-GHMZBOCLSA-N -1 1 383.416 1.483 20 0 GDADMM Cc1nc(-c2nn[n-]n2)c(N2CCC(C(=O)Nc3nccn3C3CC3)CC2)o1 ZINC001571225607 953153581 /nfs/dbraw/zinc/15/35/81/953153581.db2.gz LFYAPKHOLGZVMI-UHFFFAOYSA-N -1 1 383.416 1.550 20 0 GDADMM Cc1nc(C(=O)N2CCC[C@@H](C)[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)co1 ZINC001571225927 953154341 /nfs/dbraw/zinc/15/43/41/953154341.db2.gz OLOLIHIVKXVSLG-QMTHXVAHSA-N -1 1 383.416 1.306 20 0 GDADMM Cc1nc(C(=O)N2CCC[C@@H](C)[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)co1 ZINC001571225927 953154344 /nfs/dbraw/zinc/15/43/44/953154344.db2.gz OLOLIHIVKXVSLG-QMTHXVAHSA-N -1 1 383.416 1.306 20 0 GDADMM Cc1ocnc1C(=O)N1CCCC[C@@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001571228652 953166177 /nfs/dbraw/zinc/16/61/77/953166177.db2.gz UVTFLPDHFTYDGO-GFCCVEGCSA-N -1 1 383.416 1.450 20 0 GDADMM Cc1ocnc1C(=O)N1CCCC[C@@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001571228652 953166180 /nfs/dbraw/zinc/16/61/80/953166180.db2.gz UVTFLPDHFTYDGO-GFCCVEGCSA-N -1 1 383.416 1.450 20 0 GDADMM COCC(=O)N1CCC[C@H]2CN(c3snc(Cl)c3-c3nnn[n-]3)C[C@H]21 ZINC001571234692 953204948 /nfs/dbraw/zinc/20/49/48/953204948.db2.gz FZFJVSAJFIFWKG-DTWKUNHWSA-N -1 1 383.865 1.050 20 0 GDADMM COCC(=O)N1CCC[C@H]2CN(c3snc(Cl)c3-c3nn[n-]n3)C[C@H]21 ZINC001571234692 953204951 /nfs/dbraw/zinc/20/49/51/953204951.db2.gz FZFJVSAJFIFWKG-DTWKUNHWSA-N -1 1 383.865 1.050 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCCN(C(=O)[C@H](C)C(F)(F)F)C2)n1 ZINC001571235030 953207922 /nfs/dbraw/zinc/20/79/22/953207922.db2.gz QJJKWQWULDXYEZ-UWVGGRQHSA-N -1 1 384.366 1.566 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCCN(C(=O)[C@H](C)C(F)(F)F)C2)n1 ZINC001571235030 953207924 /nfs/dbraw/zinc/20/79/24/953207924.db2.gz QJJKWQWULDXYEZ-UWVGGRQHSA-N -1 1 384.366 1.566 20 0 GDADMM CC[C@H]1CN(C(=O)CC(F)(F)F)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571235003 953207957 /nfs/dbraw/zinc/20/79/57/953207957.db2.gz PKLJSWDCYPEFOZ-UWVGGRQHSA-N -1 1 384.366 1.070 20 0 GDADMM O=S(=O)(N[C@H]1COc2c1cccc2Cl)c1ccsc1-c1nn[n-]n1 ZINC001571235061 953208291 /nfs/dbraw/zinc/20/82/91/953208291.db2.gz RHMFZETWZXPHNT-VIFPVBQESA-N -1 1 383.842 1.994 20 0 GDADMM O=C(C[C@@H]1CCCO1)N[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571235164 953209308 /nfs/dbraw/zinc/20/93/08/953209308.db2.gz VTLWSYDYROQVGG-BDAKNGLRSA-N -1 1 383.865 1.241 20 0 GDADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC001571235384 953212239 /nfs/dbraw/zinc/21/22/39/953212239.db2.gz CAMRVCOYHZSACX-LLVKDONJSA-N -1 1 384.375 1.220 20 0 GDADMM Cc1noc(C2(NC(=O)CCc3c(C)[nH]c(=O)c(-c4nn[n-]n4)c3C)CC2)n1 ZINC001571237991 953223752 /nfs/dbraw/zinc/22/37/52/953223752.db2.gz QASSBHMUSVXCKD-UHFFFAOYSA-N -1 1 384.400 1.014 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](NC(=O)c3cccs3)[C@@H]2C)n1 ZINC001571244531 953264390 /nfs/dbraw/zinc/26/43/90/953264390.db2.gz AGRLCLQBMVWJLB-RYUDHWBXSA-N -1 1 384.469 1.814 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](NC(=O)c3cccs3)[C@@H]2C)n1 ZINC001571244531 953264391 /nfs/dbraw/zinc/26/43/91/953264391.db2.gz AGRLCLQBMVWJLB-RYUDHWBXSA-N -1 1 384.469 1.814 20 0 GDADMM CCc1ccsc1C(=O)N[C@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571244559 953265336 /nfs/dbraw/zinc/26/53/36/953265336.db2.gz AQKRKYOSOXKZBQ-QGZVFWFLSA-N -1 1 384.469 1.679 20 0 GDADMM CCc1ccsc1C(=O)N[C@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571244559 953265338 /nfs/dbraw/zinc/26/53/38/953265338.db2.gz AQKRKYOSOXKZBQ-QGZVFWFLSA-N -1 1 384.469 1.679 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](NC(=O)Cc3ccsc3)C2)n1 ZINC001571244779 953266400 /nfs/dbraw/zinc/26/64/00/953266400.db2.gz IFDAUBXPHDAUIK-CYBMUJFWSA-N -1 1 384.469 1.354 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](NC(=O)Cc3ccsc3)C2)n1 ZINC001571244779 953266402 /nfs/dbraw/zinc/26/64/02/953266402.db2.gz IFDAUBXPHDAUIK-CYBMUJFWSA-N -1 1 384.469 1.354 20 0 GDADMM Cc1csc(C(=O)N[C@H]2CC[C@@H](C)N(c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571244916 953268208 /nfs/dbraw/zinc/26/82/08/953268208.db2.gz MATBWLFAZPYRLL-NEPJUHHUSA-N -1 1 384.469 1.814 20 0 GDADMM Cc1csc(C(=O)N[C@H]2CC[C@@H](C)N(c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571244916 953268210 /nfs/dbraw/zinc/26/82/10/953268210.db2.gz MATBWLFAZPYRLL-NEPJUHHUSA-N -1 1 384.469 1.814 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCN(C(=O)CCc3ccsc3)CC2)n1 ZINC001571245181 953270866 /nfs/dbraw/zinc/27/08/66/953270866.db2.gz OYPXIOXEKDJGLX-UHFFFAOYSA-N -1 1 384.469 1.308 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCN(C(=O)CCc3ccsc3)CC2)n1 ZINC001571245181 953270869 /nfs/dbraw/zinc/27/08/69/953270869.db2.gz OYPXIOXEKDJGLX-UHFFFAOYSA-N -1 1 384.469 1.308 20 0 GDADMM CCc1ccc(C(=O)N2CCC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)s1 ZINC001571245259 953271396 /nfs/dbraw/zinc/27/13/96/953271396.db2.gz QSVOZVCMKKWLFQ-LLVKDONJSA-N -1 1 384.469 1.997 20 0 GDADMM CCc1ccc(C(=O)N2CCC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)s1 ZINC001571245259 953271398 /nfs/dbraw/zinc/27/13/98/953271398.db2.gz QSVOZVCMKKWLFQ-LLVKDONJSA-N -1 1 384.469 1.997 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@]2(C)CCN(C(=O)c3ccsc3)C2)n1 ZINC001571245197 953271532 /nfs/dbraw/zinc/27/15/32/953271532.db2.gz PDPGJSKEYMNMHR-KRWDZBQOSA-N -1 1 384.469 1.991 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@]2(C)CCN(C(=O)c3ccsc3)C2)n1 ZINC001571245197 953271534 /nfs/dbraw/zinc/27/15/34/953271534.db2.gz PDPGJSKEYMNMHR-KRWDZBQOSA-N -1 1 384.469 1.991 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCCN2C(=O)Cc2cccs2)n1 ZINC001571245537 953274240 /nfs/dbraw/zinc/27/42/40/953274240.db2.gz UUTMEZFLSZJANI-GFCCVEGCSA-N -1 1 384.469 1.672 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCCN2C(=O)Cc2cccs2)n1 ZINC001571245537 953274241 /nfs/dbraw/zinc/27/42/41/953274241.db2.gz UUTMEZFLSZJANI-GFCCVEGCSA-N -1 1 384.469 1.672 20 0 GDADMM Cc1nsc(N(C)[C@@H]2CCN(C(=O)c3cnccc3C)C2)c1-c1nn[n-]n1 ZINC001571245702 953276111 /nfs/dbraw/zinc/27/61/11/953276111.db2.gz YIMOHAMOEQFYGE-GFCCVEGCSA-N -1 1 384.469 1.686 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCc1cccs1 ZINC001571246146 953280919 /nfs/dbraw/zinc/28/09/19/953280919.db2.gz UYZWKDRECHMHPL-WCQYABFASA-N -1 1 384.469 1.752 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1cccs1 ZINC001571246146 953280925 /nfs/dbraw/zinc/28/09/25/953280925.db2.gz UYZWKDRECHMHPL-WCQYABFASA-N -1 1 384.469 1.752 20 0 GDADMM O=C(Cc1cccs1)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571247616 953284402 /nfs/dbraw/zinc/28/44/02/953284402.db2.gz AYYNAWZTFATORT-LBPRGKRZSA-N -1 1 384.469 1.436 20 0 GDADMM O=C(Cc1cccs1)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571247616 953284407 /nfs/dbraw/zinc/28/44/07/953284407.db2.gz AYYNAWZTFATORT-LBPRGKRZSA-N -1 1 384.469 1.436 20 0 GDADMM Cc1nsc(N(C)C[C@H]2CCN(C(=O)c3ccncc3)C2)c1-c1nn[n-]n1 ZINC001571248596 953294885 /nfs/dbraw/zinc/29/48/85/953294885.db2.gz WGZDGXIQPVSNGK-GFCCVEGCSA-N -1 1 384.469 1.625 20 0 GDADMM C[C@H]1[C@H](NC(=O)C(C)(C)C2CCC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571249271 953302817 /nfs/dbraw/zinc/30/28/17/953302817.db2.gz HDGKYEOCGYDYNA-GXTWGEPZSA-N -1 1 384.488 1.957 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571249425 953304389 /nfs/dbraw/zinc/30/43/89/953304389.db2.gz IZJOCWDKVREOLF-LBPRGKRZSA-N -1 1 384.488 1.989 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571249425 953304393 /nfs/dbraw/zinc/30/43/93/953304393.db2.gz IZJOCWDKVREOLF-LBPRGKRZSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)C[C@@H]1C[C@H]1C(=O)N1C[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1 ZINC001571249897 953307931 /nfs/dbraw/zinc/30/79/31/953307931.db2.gz MHRUSZHYBJOSMR-KBUPBQIOSA-N -1 1 384.488 1.845 20 0 GDADMM CC(C)C[C@@H]1C[C@H]1C(=O)N1C[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1 ZINC001571249897 953307936 /nfs/dbraw/zinc/30/79/36/953307936.db2.gz MHRUSZHYBJOSMR-KBUPBQIOSA-N -1 1 384.488 1.845 20 0 GDADMM C[C@H](CC(=O)N1CCCC[C@H]1CN(C)c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001571250846 953312997 /nfs/dbraw/zinc/31/29/97/953312997.db2.gz UBEBBCVJGSGVDZ-HIFRSBDPSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](CC(=O)N1CCCC[C@H]1CN(C)c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001571250846 953313002 /nfs/dbraw/zinc/31/30/02/953313002.db2.gz UBEBBCVJGSGVDZ-HIFRSBDPSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CCN(C(=O)CCC2CCC2)CC1 ZINC001571250838 953313325 /nfs/dbraw/zinc/31/33/25/953313325.db2.gz TZYGOSBVGFRLLA-CYBMUJFWSA-N -1 1 384.488 1.698 20 0 GDADMM CC(C)CC(=O)N1CC2(C[C@H]1C)CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571250816 953313515 /nfs/dbraw/zinc/31/35/15/953313515.db2.gz SWFRMKSDWRBPAJ-CQSZACIVSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CC(=O)N1CC2(C[C@H]1C)CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001571250816 953313519 /nfs/dbraw/zinc/31/35/19/953313519.db2.gz SWFRMKSDWRBPAJ-CQSZACIVSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CN(C(=O)[C@@H]2CC[C@@H](C)CC2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571250810 953313806 /nfs/dbraw/zinc/31/38/06/953313806.db2.gz SSVNBSBTJUUGBW-ZQDZILKHSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H]1CN(C(=O)[C@@H]2CC[C@@H](C)CC2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571250810 953313811 /nfs/dbraw/zinc/31/38/11/953313811.db2.gz SSVNBSBTJUUGBW-ZQDZILKHSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001571251886 953321652 /nfs/dbraw/zinc/32/16/52/953321652.db2.gz CEGIYIPHDGUJCE-AAVRWANBSA-N -1 1 384.488 1.527 20 0 GDADMM C[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001571251886 953321656 /nfs/dbraw/zinc/32/16/56/953321656.db2.gz CEGIYIPHDGUJCE-AAVRWANBSA-N -1 1 384.488 1.527 20 0 GDADMM C[C@H]1CC[C@H](C(=O)N[C@H]2CCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571252433 953328208 /nfs/dbraw/zinc/32/82/08/953328208.db2.gz MOAPGXNFFJVQPG-AJNGGQMLSA-N -1 1 384.488 1.602 20 0 GDADMM CC[C@H]1CC[C@H](C(=O)N[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001571252485 953328902 /nfs/dbraw/zinc/32/89/02/953328902.db2.gz NREOQZMJQXKJFN-RBSFLKMASA-N -1 1 384.488 1.958 20 0 GDADMM CC[C@H]1CC[C@H](C(=O)N[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001571252485 953328905 /nfs/dbraw/zinc/32/89/05/953328905.db2.gz NREOQZMJQXKJFN-RBSFLKMASA-N -1 1 384.488 1.958 20 0 GDADMM CCN(C(=O)C1C(C)(C)C1(C)C)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571252668 953332169 /nfs/dbraw/zinc/33/21/69/953332169.db2.gz SYKBGXYUBAGAJS-LBPRGKRZSA-N -1 1 384.488 1.766 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC([C@@H](C)NC(=O)[C@@H]3C[C@H]3C)CC2)n1 ZINC001571252741 953333325 /nfs/dbraw/zinc/33/33/25/953333325.db2.gz VKFQSYLBEBQJPS-YRGRVCCFSA-N -1 1 384.488 1.596 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC([C@@H](C)NC(=O)[C@@H]3C[C@H]3C)CC2)n1 ZINC001571252741 953333329 /nfs/dbraw/zinc/33/33/29/953333329.db2.gz VKFQSYLBEBQJPS-YRGRVCCFSA-N -1 1 384.488 1.596 20 0 GDADMM O=S(=O)(N[C@H]1COc2cc(F)cc(F)c21)c1ccsc1-c1nn[n-]n1 ZINC001571254242 953337109 /nfs/dbraw/zinc/33/71/09/953337109.db2.gz ARBCQLZYVKBEBG-QMMMGPOBSA-N -1 1 385.377 1.618 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2cccc(Cl)c2)CCN1c1nccnc1-c1nnn[n-]1 ZINC001571255887 953357411 /nfs/dbraw/zinc/35/74/11/953357411.db2.gz QXNNSOIWMFITCZ-MFKMUULPSA-N -1 1 384.831 1.707 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2cccc(Cl)c2)CCN1c1nccnc1-c1nn[n-]n1 ZINC001571255887 953357414 /nfs/dbraw/zinc/35/74/14/953357414.db2.gz QXNNSOIWMFITCZ-MFKMUULPSA-N -1 1 384.831 1.707 20 0 GDADMM Cc1nc(C(=O)N2CCC[C@@H](C)[C@H]2C(=O)[O-])nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000424252707 953437042 /nfs/dbraw/zinc/43/70/42/953437042.db2.gz KFIFQNOUFLDMPG-SVRRBLITSA-N -1 1 387.322 1.038 20 0 GDADMM O=C([O-])c1cc(C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)[nH]n1 ZINC001594756893 953465786 /nfs/dbraw/zinc/46/57/86/953465786.db2.gz MPCSUMNGWZPRBY-UHFFFAOYSA-N -1 1 391.859 1.703 20 0 GDADMM C[C@@H]1CCN(CC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)C[C@H]1C(=O)[O-] ZINC000563810779 953602273 /nfs/dbraw/zinc/60/22/73/953602273.db2.gz SFFVRNWRDDAHGV-TZMCWYRMSA-N -1 1 391.424 1.539 20 0 GDADMM O=C([O-])[C@@H](Cc1ccncc1)NS(=O)(=O)c1c(Cl)ccc(F)c1F ZINC001594843820 954111064 /nfs/dbraw/zinc/11/10/64/954111064.db2.gz RWSMUXZZDPSBIA-LLVKDONJSA-N -1 1 376.768 1.987 20 0 GDADMM C[C@@H]1CN(C(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)[C@@H](C)CN1Cc1ccccc1 ZINC001589372782 954219601 /nfs/dbraw/zinc/21/96/01/954219601.db2.gz QTUJYLPSADMVRZ-SOLBZPMBSA-N -1 1 387.480 1.431 20 0 GDADMM C[C@H](NC(=O)N1CCC(CN2CCOCC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655907417 954290442 /nfs/dbraw/zinc/29/04/42/954290442.db2.gz JXUSBTMMLHQRMI-BHYGNILZSA-N -1 1 381.517 1.876 20 0 GDADMM O=C([O-])C1(C(=O)Nc2nc3cc(Cl)c(F)cc3[nH]2)CCS(=O)(=O)CC1 ZINC001594872284 954364769 /nfs/dbraw/zinc/36/47/69/954364769.db2.gz PRPBOBCCVJZKJP-UHFFFAOYSA-N -1 1 389.792 1.574 20 0 GDADMM O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccc2cccnc2n1 ZINC001594890057 954511513 /nfs/dbraw/zinc/51/15/13/954511513.db2.gz NNPDAOSIWYJIMB-CMPLNLGQSA-N -1 1 396.325 1.366 20 0 GDADMM O=C([O-])[C@H]1CCCN(c2ccc(CNCC[S@](=O)CC(F)(F)F)o2)C1 ZINC001594915003 954737287 /nfs/dbraw/zinc/73/72/87/954737287.db2.gz CKJDDIFHNWHQPD-FTJNGKRUSA-N -1 1 382.404 1.981 20 0 GDADMM O=C([O-])[C@H]1COCCN1C(=O)CCN1CCN(c2cccc(Cl)c2)CC1 ZINC001594957978 954997175 /nfs/dbraw/zinc/99/71/75/954997175.db2.gz YYFRSNDVXNXUIR-MRXNPFEDSA-N -1 1 381.860 1.164 20 0 GDADMM O=C([O-])[C@@H]1CCN(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)C1 ZINC000819151397 955436013 /nfs/dbraw/zinc/43/60/13/955436013.db2.gz DEOQXJYPBKHDEY-MRXNPFEDSA-N -1 1 381.432 1.962 20 0 GDADMM C[C@H](CN(C)C(=O)c1cn[nH]c1[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001589031478 955523065 /nfs/dbraw/zinc/52/30/65/955523065.db2.gz LYLBBGFVCXAJIM-NEPJUHHUSA-N -1 1 380.445 1.927 20 0 GDADMM O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)C1CC2(CC2(F)F)C1 ZINC000851703786 955825308 /nfs/dbraw/zinc/82/53/08/955825308.db2.gz YPHGKFQGVREENT-NIAMMYOCSA-N -1 1 384.301 1.545 20 0 GDADMM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1scnc1C1CC1 ZINC000851704359 955831044 /nfs/dbraw/zinc/83/10/44/955831044.db2.gz VUUUAQLSQAGXHA-WPRPVWTQSA-N -1 1 391.371 1.757 20 0 GDADMM O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1Cc1ccc(-n2cccn2)cc1 ZINC000852737486 955852069 /nfs/dbraw/zinc/85/20/69/955852069.db2.gz SYVCHPYAFOMFFT-HUUCEWRRSA-N -1 1 396.369 1.968 20 0 GDADMM COc1ccc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])c(O)c1 ZINC000852958042 955891385 /nfs/dbraw/zinc/89/13/85/955891385.db2.gz BQIXDYJYZMHVHT-PWSUYJOCSA-N -1 1 390.314 1.137 20 0 GDADMM CC[C@H](C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-])[NH+](CC)CC ZINC000852959280 955897579 /nfs/dbraw/zinc/89/75/79/955897579.db2.gz ZUAFBWXFYPZYEK-IJLUTSLNSA-N -1 1 381.395 1.230 20 0 GDADMM CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001603068780 972138492 /nfs/dbraw/zinc/13/84/92/972138492.db2.gz YLAPYONIUROLGZ-MGPQQGTHSA-N -1 1 379.423 1.845 20 0 GDADMM CC(C)[N@H+]1CCCC[C@@H]1CN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001603068780 972138493 /nfs/dbraw/zinc/13/84/93/972138493.db2.gz YLAPYONIUROLGZ-MGPQQGTHSA-N -1 1 379.423 1.845 20 0 GDADMM O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1C[C@@H]1CCC2(CCOCC2)O1 ZINC000883409375 956238147 /nfs/dbraw/zinc/23/81/47/956238147.db2.gz VMGUZTYEHXEDKI-XQQFMLRXSA-N -1 1 394.390 1.311 20 0 GDADMM CC(C)C[C@H](CNC(=O)N[C@H]1CCCN(CCN2CCOCC2)C1)CC(=O)[O-] ZINC000898849998 956272007 /nfs/dbraw/zinc/27/20/07/956272007.db2.gz WNUGOBATSXECQW-ROUUACIJSA-N -1 1 398.548 1.219 20 0 GDADMM C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001589176599 956507025 /nfs/dbraw/zinc/50/70/25/956507025.db2.gz IBXLIAHWLUIOGP-BEAPCOKYSA-N -1 1 388.386 1.747 20 0 GDADMM Nc1c(F)cccc1C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001594663811 956557390 /nfs/dbraw/zinc/55/73/90/956557390.db2.gz YUZORIHGMXCZQJ-KOLCDFICSA-N -1 1 377.294 1.144 20 0 GDADMM CC1(C(=O)[O-])CCN(CC(=O)NCc2ccccc2CN2CCCC2=O)CC1 ZINC001589196973 956620906 /nfs/dbraw/zinc/62/09/06/956620906.db2.gz QTQCIYQRGSPIRH-UHFFFAOYSA-N -1 1 387.480 1.612 20 0 GDADMM O=C([O-])C1(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)CCCC1 ZINC001594720030 956969097 /nfs/dbraw/zinc/96/90/97/956969097.db2.gz WKLYVLJXTXCVHC-UHFFFAOYSA-N -1 1 382.438 1.304 20 0 GDADMM CN1CCN(C[C@H](NC(=O)N2CCC(C)(C(=O)[O-])CC2)c2ccccc2)CC1 ZINC001327430032 957341183 /nfs/dbraw/zinc/34/11/83/957341183.db2.gz 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/nfs/dbraw/zinc/21/34/38/532213438.db2.gz WARQHRHYOMCIJB-LDYMZIIASA-N -1 1 388.205 1.723 20 0 GDADMM COCCOCCS(=O)(=O)[N-][C@H](C(=O)OC)c1ccc(OC)c(Cl)c1 ZINC000274662098 532223072 /nfs/dbraw/zinc/22/30/72/532223072.db2.gz PITYJCMYPDOCSD-AWEZNQCLSA-N -1 1 395.861 1.145 20 0 GDADMM Cn1[n-]cc2/c(=N\C(=O)NCCCCn3cc(Br)cn3)ccnc1-2 ZINC000287564581 532223324 /nfs/dbraw/zinc/22/33/24/532223324.db2.gz KMYTVFJQFXNEFK-BKUYFWCQSA-N -1 1 392.261 1.903 20 0 GDADMM COc1cc2c(cc1S(=O)(=O)[N-]C1(C(F)(F)F)CCC1)OCC(=O)N2 ZINC000430357623 532248071 /nfs/dbraw/zinc/24/80/71/532248071.db2.gz MXETUJKFQKVSKI-UHFFFAOYSA-N -1 1 380.344 1.789 20 0 GDADMM NC(=O)c1cc(C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)on1 ZINC000429851975 532236711 /nfs/dbraw/zinc/23/67/11/532236711.db2.gz MHMJKNFNJYTRQK-UHFFFAOYSA-N -1 1 394.634 1.668 20 0 GDADMM CSc1cccc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCCO2)n1 ZINC000348338147 532265696 /nfs/dbraw/zinc/26/56/96/532265696.db2.gz IQDOZCKHXMWGJQ-UHFFFAOYSA-N -1 1 395.528 1.293 20 0 GDADMM CC[C@@H]1CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(SC)n1 ZINC000348359038 532267518 /nfs/dbraw/zinc/26/75/18/532267518.db2.gz ZEFQTKLLRMRJEN-GFCCVEGCSA-N -1 1 393.556 1.749 20 0 GDADMM CC(=O)Nc1ncc(S(=O)(=O)[N-]c2cccn(CC(F)(F)F)c2=O)s1 ZINC000288171597 532269543 /nfs/dbraw/zinc/26/95/43/532269543.db2.gz DLQKLTJNPOWOOW-UHFFFAOYSA-N -1 1 396.372 1.626 20 0 GDADMM C[C@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000288377930 532285943 /nfs/dbraw/zinc/28/59/43/532285943.db2.gz KJPFGVSLPMREMN-QUBYGPBYSA-N -1 1 376.258 1.844 20 0 GDADMM CO[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC(F)F)C1 ZINC000349453950 532288211 /nfs/dbraw/zinc/28/82/11/532288211.db2.gz PIQXKLCVDYGMSA-PHIMTYICSA-N -1 1 398.453 1.028 20 0 GDADMM Cc1cccc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@](C)(F)C2)n1 ZINC000349455390 532288761 /nfs/dbraw/zinc/28/87/61/532288761.db2.gz CKDRHMZGWHDIQW-CQSZACIVSA-N -1 1 379.479 1.286 20 0 GDADMM O=C(NCC[C@]1(O)CCOC1)c1cc(I)ccc1[O-] ZINC000403150842 532304958 /nfs/dbraw/zinc/30/49/58/532304958.db2.gz ZICXHUZXNSTGMU-ZDUSSCGKSA-N -1 1 377.178 1.268 20 0 GDADMM Cc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@@H]3CCCC[C@@H]32)c1 ZINC000349457069 532290012 /nfs/dbraw/zinc/29/00/12/532290012.db2.gz RTDUQDLGPREACU-GJZGRUSLSA-N -1 1 387.527 1.726 20 0 GDADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000378548632 532290504 /nfs/dbraw/zinc/29/05/04/532290504.db2.gz DDWFLRLGWWNMNU-CYBMUJFWSA-N -1 1 388.873 1.312 20 0 GDADMM CCOC(=O)c1cc(S(=O)(=O)[N-]CCCCO)c(F)cc1Br ZINC000289147838 532316737 /nfs/dbraw/zinc/31/67/37/532316737.db2.gz KOEJDRKDYLUTOY-UHFFFAOYSA-N -1 1 398.250 1.816 20 0 GDADMM O=c1nc([C@H]2CCCN(Cc3nnc(-c4ccc(Br)o4)o3)C2)[nH][n-]1 ZINC000289157169 532317081 /nfs/dbraw/zinc/31/70/81/532317081.db2.gz DJKZTJBZCMKVSX-QMMMGPOBSA-N -1 1 395.217 1.883 20 0 GDADMM COC(=O)[C@H]([N-]S(=O)(=O)[C@H]1CCO[C@H]1C)c1ccc(OC)c(Cl)c1 ZINC000276162261 532321402 /nfs/dbraw/zinc/32/14/02/532321402.db2.gz GXRUTIHTEXUPIC-QCZZGDTMSA-N -1 1 377.846 1.660 20 0 GDADMM CC(C)(C)OC(=O)CS(=O)(=O)CCSc1nc(C(F)F)cc(=O)[n-]1 ZINC000289532532 532327191 /nfs/dbraw/zinc/32/71/91/532327191.db2.gz NLVWCUSDJGEENB-UHFFFAOYSA-N -1 1 384.426 1.968 20 0 GDADMM CCN(C(=O)[C@@H](C)Sc1nc(C(F)F)cc(=O)[n-]1)[C@H]1CCS(=O)(=O)C1 ZINC000289615001 532329416 /nfs/dbraw/zinc/32/94/16/532329416.db2.gz UPYUCYPRQHKOGD-BDAKNGLRSA-N -1 1 395.453 1.636 20 0 GDADMM O=C(CN1CCCNC1=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000737872407 598847785 /nfs/dbraw/zinc/84/77/85/598847785.db2.gz HLCZGOUBMGQEEV-UHFFFAOYSA-N -1 1 397.464 1.627 20 0 GDADMM Brc1ccc(-c2noc(Cn3cnc(-c4nn[n-]n4)n3)n2)s1 ZINC000735369834 598900537 /nfs/dbraw/zinc/90/05/37/598900537.db2.gz XVJBFIFIRIQCEN-UHFFFAOYSA-N -1 1 380.191 1.381 20 0 GDADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc(C(N)=O)c(F)c1 ZINC000737301418 598931771 /nfs/dbraw/zinc/93/17/71/598931771.db2.gz MMTBUVGZTOZMDQ-UHFFFAOYSA-N -1 1 376.373 1.214 20 0 GDADMM CCC[C@](C)(O)CNC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000736418033 598932013 /nfs/dbraw/zinc/93/20/13/598932013.db2.gz XWQSIVHEBGEEOW-SFHVURJKSA-N -1 1 386.460 1.126 20 0 GDADMM CCC[C@](C)(O)CNC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000736418033 598932014 /nfs/dbraw/zinc/93/20/14/598932014.db2.gz XWQSIVHEBGEEOW-SFHVURJKSA-N -1 1 386.460 1.126 20 0 GDADMM NS(=O)(=O)c1ccc(CCNc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000737766809 598934897 /nfs/dbraw/zinc/93/48/97/598934897.db2.gz XBNIODVFSLUQFD-UHFFFAOYSA-N -1 1 396.436 1.112 20 0 GDADMM NS(=O)(=O)c1ccc(CCNc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000737766809 598934899 /nfs/dbraw/zinc/93/48/99/598934899.db2.gz XBNIODVFSLUQFD-UHFFFAOYSA-N -1 1 396.436 1.112 20 0 GDADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2Sc1nnc(N2CCOCC2)s1 ZINC000738436883 598937421 /nfs/dbraw/zinc/93/74/21/598937421.db2.gz LBIZVSVZGJXGTP-UHFFFAOYSA-N -1 1 399.465 1.649 20 0 GDADMM CO[C@@H](C)CN(C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)C(C)C ZINC000736961802 598945947 /nfs/dbraw/zinc/94/59/47/598945947.db2.gz MAOKLGRKOMKDKH-NSHDSACASA-N -1 1 376.461 1.789 20 0 GDADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1cccc(-c2nnnn2C)c1 ZINC000737225204 598947019 /nfs/dbraw/zinc/94/70/19/598947019.db2.gz KTGVSQUWLNCQFU-UHFFFAOYSA-N -1 1 397.424 1.166 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000736295170 598949882 /nfs/dbraw/zinc/94/98/82/598949882.db2.gz ZGTVIWOYXLNUSZ-WCQYABFASA-N -1 1 387.444 1.637 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000736295170 598949883 /nfs/dbraw/zinc/94/98/83/598949883.db2.gz ZGTVIWOYXLNUSZ-WCQYABFASA-N -1 1 387.444 1.637 20 0 GDADMM CNC(=O)COc1cccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000736879680 598960214 /nfs/dbraw/zinc/96/02/14/598960214.db2.gz ZBXMFQHZJMJWRB-UHFFFAOYSA-N -1 1 390.407 1.547 20 0 GDADMM CNC(=O)COc1cccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000736879680 598960216 /nfs/dbraw/zinc/96/02/16/598960216.db2.gz ZBXMFQHZJMJWRB-UHFFFAOYSA-N -1 1 390.407 1.547 20 0 GDADMM COc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1OC(F)F ZINC000737091442 598991461 /nfs/dbraw/zinc/99/14/61/598991461.db2.gz BJFYPADBRUKZCJ-UHFFFAOYSA-N -1 1 376.323 1.802 20 0 GDADMM COc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1OC(F)F ZINC000737091442 598991463 /nfs/dbraw/zinc/99/14/63/598991463.db2.gz BJFYPADBRUKZCJ-UHFFFAOYSA-N -1 1 376.323 1.802 20 0 GDADMM C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(-c4nnn[n-]4)nc3)cn2)C[C@@H](C)O1 ZINC000736286349 598992166 /nfs/dbraw/zinc/99/21/66/598992166.db2.gz BXWKDVQSOBMDEY-CHWSQXEVSA-N -1 1 394.439 1.200 20 0 GDADMM C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(-c4nn[n-]n4)nc3)cn2)C[C@@H](C)O1 ZINC000736286349 598992169 /nfs/dbraw/zinc/99/21/69/598992169.db2.gz BXWKDVQSOBMDEY-CHWSQXEVSA-N -1 1 394.439 1.200 20 0 GDADMM Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)cc1 ZINC000737309680 598992482 /nfs/dbraw/zinc/99/24/82/598992482.db2.gz UAGPHTCGKLMDER-UHFFFAOYSA-N -1 1 377.408 1.168 20 0 GDADMM Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)cc1 ZINC000737309680 598992484 /nfs/dbraw/zinc/99/24/84/598992484.db2.gz UAGPHTCGKLMDER-UHFFFAOYSA-N -1 1 377.408 1.168 20 0 GDADMM O=C(NCCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738088464 599004957 /nfs/dbraw/zinc/00/49/57/599004957.db2.gz OLMITPKJEXILHA-UHFFFAOYSA-N -1 1 396.798 1.938 20 0 GDADMM O=C(NCCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738088464 599004959 /nfs/dbraw/zinc/00/49/59/599004959.db2.gz OLMITPKJEXILHA-UHFFFAOYSA-N -1 1 396.798 1.938 20 0 GDADMM O=C(Nc1ccccc1F)[C@@H]1CSCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738191140 599005126 /nfs/dbraw/zinc/00/51/26/599005126.db2.gz RPWSYAVNWOBFCM-AWEZNQCLSA-N -1 1 399.411 1.555 20 0 GDADMM O=C(Nc1ccccc1F)[C@@H]1CSCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738191140 599005128 /nfs/dbraw/zinc/00/51/28/599005128.db2.gz RPWSYAVNWOBFCM-AWEZNQCLSA-N -1 1 399.411 1.555 20 0 GDADMM CCO[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1(C)C ZINC000736613961 599008317 /nfs/dbraw/zinc/00/83/17/599008317.db2.gz UJZDDNJHOHBYIF-KGLIPLIRSA-N -1 1 383.449 1.830 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000738258665 599020039 /nfs/dbraw/zinc/02/00/39/599020039.db2.gz KJRHIGNNPYRZRO-UHFFFAOYSA-N -1 1 390.407 1.794 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000738258665 599020041 /nfs/dbraw/zinc/02/00/41/599020041.db2.gz KJRHIGNNPYRZRO-UHFFFAOYSA-N -1 1 390.407 1.794 20 0 GDADMM COc1ccc(-n2ccc(CNC(=O)c3ccc(-c4nnn[n-]4)nc3)n2)cc1 ZINC000737066213 599025437 /nfs/dbraw/zinc/02/54/37/599025437.db2.gz SADKHZFEJVCUGC-UHFFFAOYSA-N -1 1 376.380 1.386 20 0 GDADMM COc1ccc(-n2ccc(CNC(=O)c3ccc(-c4nn[n-]n4)nc3)n2)cc1 ZINC000737066213 599025438 /nfs/dbraw/zinc/02/54/38/599025438.db2.gz SADKHZFEJVCUGC-UHFFFAOYSA-N -1 1 376.380 1.386 20 0 GDADMM CCc1ccc2c(c1)[C@@H](CCNC(=O)c1ccc(-c3nnn[n-]3)nc1)C(=O)N2 ZINC000736700590 599030722 /nfs/dbraw/zinc/03/07/22/599030722.db2.gz VGFRJXJCQNOUJB-CYBMUJFWSA-N -1 1 377.408 1.680 20 0 GDADMM CCc1ccc2c(c1)[C@@H](CCNC(=O)c1ccc(-c3nn[n-]n3)nc1)C(=O)N2 ZINC000736700590 599030724 /nfs/dbraw/zinc/03/07/24/599030724.db2.gz VGFRJXJCQNOUJB-CYBMUJFWSA-N -1 1 377.408 1.680 20 0 GDADMM CCN1C(=S)N=NC1C1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736713163 599030919 /nfs/dbraw/zinc/03/09/19/599030919.db2.gz GSVDWFFKXUPZJA-UHFFFAOYSA-N -1 1 385.457 1.182 20 0 GDADMM CCN1C(=S)N=NC1C1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736713163 599030921 /nfs/dbraw/zinc/03/09/21/599030921.db2.gz GSVDWFFKXUPZJA-UHFFFAOYSA-N -1 1 385.457 1.182 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCCOC[C@@H]1CCCO1 ZINC000737547251 599056975 /nfs/dbraw/zinc/05/69/75/599056975.db2.gz JOIHNQFUZLNNFZ-ZDUSSCGKSA-N -1 1 387.396 1.911 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCCOC[C@@H]1CCCO1 ZINC000737547251 599056978 /nfs/dbraw/zinc/05/69/78/599056978.db2.gz JOIHNQFUZLNNFZ-ZDUSSCGKSA-N -1 1 387.396 1.911 20 0 GDADMM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c2ccccc2N(C)C1=O ZINC000736288551 599097190 /nfs/dbraw/zinc/09/71/90/599097190.db2.gz IZYYBGNNWLHONX-NSHDSACASA-N -1 1 399.436 1.070 20 0 GDADMM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c2ccccc2N(C)C1=O ZINC000736288551 599097193 /nfs/dbraw/zinc/09/71/93/599097193.db2.gz IZYYBGNNWLHONX-NSHDSACASA-N -1 1 399.436 1.070 20 0 GDADMM CCC(=O)Nc1ccc(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736309287 599136952 /nfs/dbraw/zinc/13/69/52/599136952.db2.gz MZYDAOPHPOQRQO-UHFFFAOYSA-N -1 1 380.364 1.650 20 0 GDADMM CCC(=O)Nc1ccc(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736309287 599136954 /nfs/dbraw/zinc/13/69/54/599136954.db2.gz MZYDAOPHPOQRQO-UHFFFAOYSA-N -1 1 380.364 1.650 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)NC(=O)Nc1ccccc1F ZINC000736159219 599138708 /nfs/dbraw/zinc/13/87/08/599138708.db2.gz VYQULICITSENKO-VIFPVBQESA-N -1 1 399.342 1.294 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)NC(=O)Nc1ccccc1F ZINC000736159219 599138710 /nfs/dbraw/zinc/13/87/10/599138710.db2.gz VYQULICITSENKO-VIFPVBQESA-N -1 1 399.342 1.294 20 0 GDADMM Cc1ccc(NC(=O)NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1C ZINC000737355861 599139559 /nfs/dbraw/zinc/13/95/59/599139559.db2.gz AEPWYEBYEMBWNW-UHFFFAOYSA-N -1 1 395.379 1.384 20 0 GDADMM Cc1ccc(NC(=O)NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1C ZINC000737355861 599139561 /nfs/dbraw/zinc/13/95/61/599139561.db2.gz AEPWYEBYEMBWNW-UHFFFAOYSA-N -1 1 395.379 1.384 20 0 GDADMM CCCCn1c2ccc(S(N)(=O)=O)cc2nc1-c1ccc(-c2nnn[n-]2)o1 ZINC000821082550 599153406 /nfs/dbraw/zinc/15/34/06/599153406.db2.gz MWGSCVFFDOSUCA-UHFFFAOYSA-N -1 1 387.425 1.924 20 0 GDADMM CCCCn1c2ccc(S(N)(=O)=O)cc2nc1-c1ccc(-c2nn[n-]n2)o1 ZINC000821082550 599153409 /nfs/dbraw/zinc/15/34/09/599153409.db2.gz MWGSCVFFDOSUCA-UHFFFAOYSA-N -1 1 387.425 1.924 20 0 GDADMM Cc1nn(C[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(=O)c(-c2nn[n-]n2)c1C ZINC000737513648 599162342 /nfs/dbraw/zinc/16/23/42/599162342.db2.gz RIHDEJSVWHXCQG-LBPRGKRZSA-N -1 1 375.433 1.297 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1cnn(CC(F)F)c1 ZINC000737201025 599204592 /nfs/dbraw/zinc/20/45/92/599204592.db2.gz PNPNGYWEROVIOM-UHFFFAOYSA-N -1 1 392.370 1.617 20 0 GDADMM Cc1cc(NC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)ncn1 ZINC000737272709 599206773 /nfs/dbraw/zinc/20/67/73/599206773.db2.gz XQNIKYLEQCOICQ-UHFFFAOYSA-N -1 1 378.400 1.196 20 0 GDADMM Cc1cc(NC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)ncn1 ZINC000737272709 599206774 /nfs/dbraw/zinc/20/67/74/599206774.db2.gz XQNIKYLEQCOICQ-UHFFFAOYSA-N -1 1 378.400 1.196 20 0 GDADMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)c1cc2ccc(Cl)nc2cc1F ZINC000818378082 596904575 /nfs/dbraw/zinc/90/45/75/596904575.db2.gz IZTCKUUVHUKCGS-UHFFFAOYSA-N -1 1 389.836 1.664 20 0 GDADMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC000534780798 596909115 /nfs/dbraw/zinc/90/91/15/596909115.db2.gz BMZAJXDSLYWVNC-UHFFFAOYSA-N -1 1 381.857 1.104 20 0 GDADMM CCOC(=O)C1=C(CN2CCC(C(=O)[O-])CC2)NC(=O)N[C@@H]1c1ccccc1 ZINC000739469267 596921703 /nfs/dbraw/zinc/92/17/03/596921703.db2.gz WWUFMROLWWUUIU-QGZVFWFLSA-N -1 1 387.436 1.654 20 0 GDADMM O=S(=O)(NCc1ccc(-c2cccnc2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823578250 599237690 /nfs/dbraw/zinc/23/76/90/599237690.db2.gz KLHCCOUNOFXAQX-UHFFFAOYSA-N -1 1 393.432 1.802 20 0 GDADMM O=S(=O)(NCc1ccc(-c2cccnc2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823578250 599237691 /nfs/dbraw/zinc/23/76/91/599237691.db2.gz KLHCCOUNOFXAQX-UHFFFAOYSA-N -1 1 393.432 1.802 20 0 GDADMM CN1CCN(c2ccc(CNC(=O)N3CCC[C@@H](CC(=O)[O-])C3)cn2)CC1 ZINC000818482401 597056648 /nfs/dbraw/zinc/05/66/48/597056648.db2.gz TUVUNKZYQSGIBE-HNNXBMFYSA-N -1 1 375.473 1.230 20 0 GDADMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000551237853 597206250 /nfs/dbraw/zinc/20/62/50/597206250.db2.gz PRUAYYFGSUZAFX-UHFFFAOYSA-N -1 1 383.239 1.225 20 0 GDADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1cccc(-c2nc[nH]n2)c1 ZINC000737301772 599262271 /nfs/dbraw/zinc/26/22/71/599262271.db2.gz UBPBPLQBSMRXGL-UHFFFAOYSA-N -1 1 382.409 1.761 20 0 GDADMM CC(C)NC(=O)CN1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000735883794 599258833 /nfs/dbraw/zinc/25/88/33/599258833.db2.gz DIHROCSVDGLUFR-UHFFFAOYSA-N -1 1 380.456 1.062 20 0 GDADMM O=C([O-])[C@H]1CN(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)CCO1 ZINC000738546842 597414096 /nfs/dbraw/zinc/41/40/96/597414096.db2.gz QUHIUNLHZHTQND-JKSUJKDBSA-N -1 1 381.860 1.972 20 0 GDADMM O=C(CN1CCOCC1)Nc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000823000724 607311277 /nfs/dbraw/zinc/31/12/77/607311277.db2.gz DLKPMDJWTDBQLS-UHFFFAOYSA-N -1 1 399.480 1.811 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)N(C)Cc2cnccn2)c1-c1nn[n-]n1 ZINC000737188544 599264915 /nfs/dbraw/zinc/26/49/15/599264915.db2.gz BLWPWCXOYSITHV-UHFFFAOYSA-N -1 1 382.453 1.923 20 0 GDADMM CCOCCCN(C[C@@H](C)C(=O)OC)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821378380 607305413 /nfs/dbraw/zinc/30/54/13/607305413.db2.gz MSHLIQXCLBDIMX-LLVKDONJSA-N -1 1 382.852 1.957 20 0 GDADMM CCOCCCN(C[C@@H](C)C(=O)OC)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821378380 607305414 /nfs/dbraw/zinc/30/54/14/607305414.db2.gz MSHLIQXCLBDIMX-LLVKDONJSA-N -1 1 382.852 1.957 20 0 GDADMM CCS(=O)(=O)NC1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000736658836 599269225 /nfs/dbraw/zinc/26/92/25/599269225.db2.gz KIJHPCFYFANVDL-UHFFFAOYSA-N -1 1 387.469 1.323 20 0 GDADMM CCS(=O)(=O)NC1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000736658836 599269226 /nfs/dbraw/zinc/26/92/26/599269226.db2.gz KIJHPCFYFANVDL-UHFFFAOYSA-N -1 1 387.469 1.323 20 0 GDADMM CC(C)(C)OC(=O)N1CCN(C(=O)CNCc2cccc(C(=O)[O-])c2)CC1 ZINC000819921291 598202870 /nfs/dbraw/zinc/20/28/70/598202870.db2.gz FHMDHVYDECRPPH-UHFFFAOYSA-N -1 1 377.441 1.554 20 0 GDADMM COc1ccc2cc(CNS(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)ccc2c1 ZINC000737120335 598262387 /nfs/dbraw/zinc/26/23/87/598262387.db2.gz LVKJRUXXSSWTKW-UHFFFAOYSA-N -1 1 396.432 1.902 20 0 GDADMM COc1ccc2cc(CNS(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)ccc2c1 ZINC000737120335 598262389 /nfs/dbraw/zinc/26/23/89/598262389.db2.gz LVKJRUXXSSWTKW-UHFFFAOYSA-N -1 1 396.432 1.902 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCc1cccc(CO)c1 ZINC000737201110 598262557 /nfs/dbraw/zinc/26/25/57/598262557.db2.gz QPTGNGBNFCGKHJ-UHFFFAOYSA-N -1 1 382.424 1.325 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000738353722 598268234 /nfs/dbraw/zinc/26/82/34/598268234.db2.gz FWHCQZFRWIETNU-AWEZNQCLSA-N -1 1 388.428 1.797 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000738353722 598268236 /nfs/dbraw/zinc/26/82/36/598268236.db2.gz FWHCQZFRWIETNU-AWEZNQCLSA-N -1 1 388.428 1.797 20 0 GDADMM CC(C)(C)Oc1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735639698 598268419 /nfs/dbraw/zinc/26/84/19/598268419.db2.gz NNFMHUDONNODMT-UHFFFAOYSA-N -1 1 388.453 1.918 20 0 GDADMM CC(C)(C)Oc1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735639698 598268421 /nfs/dbraw/zinc/26/84/21/598268421.db2.gz NNFMHUDONNODMT-UHFFFAOYSA-N -1 1 388.453 1.918 20 0 GDADMM Cc1ccn(CC(=O)Nc2cccc(N3CCCC3=O)c2)c(=O)c1-c1nn[n-]n1 ZINC000822369398 607349683 /nfs/dbraw/zinc/34/96/83/607349683.db2.gz IPJKZOHUNMOINB-UHFFFAOYSA-N -1 1 393.407 1.102 20 0 GDADMM CCN(CC)S(=O)(=O)c1ccc(CNc2nccnc2-c2nnn[n-]2)cc1 ZINC000736531492 598338682 /nfs/dbraw/zinc/33/86/82/598338682.db2.gz HRBKURRSYJJWJY-UHFFFAOYSA-N -1 1 388.457 1.299 20 0 GDADMM CCN(CC)S(=O)(=O)c1ccc(CNc2nccnc2-c2nn[n-]n2)cc1 ZINC000736531492 598338684 /nfs/dbraw/zinc/33/86/84/598338684.db2.gz HRBKURRSYJJWJY-UHFFFAOYSA-N -1 1 388.457 1.299 20 0 GDADMM Brc1ccccc1[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1 ZINC000735367943 598350809 /nfs/dbraw/zinc/35/08/09/598350809.db2.gz BWFQRSOIFMBNAG-GFCCVEGCSA-N -1 1 388.229 1.997 20 0 GDADMM Brc1ccccc1[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1 ZINC000735367943 598350811 /nfs/dbraw/zinc/35/08/11/598350811.db2.gz BWFQRSOIFMBNAG-GFCCVEGCSA-N -1 1 388.229 1.997 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CCC[C@@H]2Cn2cccn2)cc1-c1nn[n-]n1 ZINC000737186604 598350979 /nfs/dbraw/zinc/35/09/79/598350979.db2.gz KAUJYNIUNKKHOE-SNVBAGLBSA-N -1 1 386.441 1.191 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(Nc2ccc(SC(C)(C)C)cc2)n(C)c1=O ZINC000737597822 598368493 /nfs/dbraw/zinc/36/84/93/598368493.db2.gz VNOWLMALYAHOCU-UHFFFAOYSA-N -1 1 387.469 1.898 20 0 GDADMM CCc1nn(Cc2noc(-c3cccs3)n2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736707141 598378342 /nfs/dbraw/zinc/37/83/42/598378342.db2.gz PZGIFOOMKMWKPW-UHFFFAOYSA-N -1 1 384.425 1.708 20 0 GDADMM CCc1nn(CC(=O)NC2CCCCCCC2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705514 598379776 /nfs/dbraw/zinc/37/97/76/598379776.db2.gz JQCOTJDFDMWSGA-UHFFFAOYSA-N -1 1 387.488 1.777 20 0 GDADMM CCCN(C(=O)c1ccccc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1)C(C)C ZINC000821082141 607355731 /nfs/dbraw/zinc/35/57/31/607355731.db2.gz HDTIHNVAMKRJGA-UHFFFAOYSA-N -1 1 397.443 1.358 20 0 GDADMM CCC/C=C\C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000736440350 598407991 /nfs/dbraw/zinc/40/79/91/598407991.db2.gz ZHNYWFYUYNUXCD-YHYXMXQVSA-N -1 1 381.396 1.890 20 0 GDADMM CCC/C=C\C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736440350 598407993 /nfs/dbraw/zinc/40/79/93/598407993.db2.gz ZHNYWFYUYNUXCD-YHYXMXQVSA-N -1 1 381.396 1.890 20 0 GDADMM Cc1cc(C(F)(F)F)c(-c2nn[n-]n2)c(SCCCC(=O)NC(N)=O)n1 ZINC000737243497 598439842 /nfs/dbraw/zinc/43/98/42/598439842.db2.gz AAVHMLUHRUWBAO-UHFFFAOYSA-N -1 1 389.363 1.656 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCCO[C@H](C)C1 ZINC000737488385 598446234 /nfs/dbraw/zinc/44/62/34/598446234.db2.gz UEODXYDQWVRDGP-LLVKDONJSA-N -1 1 384.444 1.096 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCCO[C@H](C)C1 ZINC000737488385 598446235 /nfs/dbraw/zinc/44/62/35/598446235.db2.gz UEODXYDQWVRDGP-LLVKDONJSA-N -1 1 384.444 1.096 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCCCc1nccs1 ZINC000737199592 598505474 /nfs/dbraw/zinc/50/54/74/598505474.db2.gz ILGHNYQUXDQXRP-UHFFFAOYSA-N -1 1 387.469 1.722 20 0 GDADMM COc1ccccc1[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737147540 598526088 /nfs/dbraw/zinc/52/60/88/598526088.db2.gz MOLFQABXZNQFDS-OAHLLOKOSA-N -1 1 386.437 1.796 20 0 GDADMM COc1ccccc1[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737147540 598526090 /nfs/dbraw/zinc/52/60/90/598526090.db2.gz MOLFQABXZNQFDS-OAHLLOKOSA-N -1 1 386.437 1.796 20 0 GDADMM Cc1c(C(=O)n2ncc(-c3nn[n-]n3)c2N)nnn1-c1ccc(OC(C)C)cc1 ZINC000737209073 598561836 /nfs/dbraw/zinc/56/18/36/598561836.db2.gz JLDFKVYZMDZYSY-UHFFFAOYSA-N -1 1 394.399 1.010 20 0 GDADMM CCc1nn(CC(=O)N2c3ccccc3C[C@@H]2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706878 598643492 /nfs/dbraw/zinc/64/34/92/598643492.db2.gz ZLCJNSWAZNTVEE-LBPRGKRZSA-N -1 1 393.451 1.526 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@@H](n2ccnc2)C1 ZINC000737199118 598670337 /nfs/dbraw/zinc/67/03/37/598670337.db2.gz FRNZMORUWXRZSK-CQSZACIVSA-N -1 1 396.455 1.577 20 0 GDADMM Cc1noc(C2CCN(S(=O)(=O)c3ccc(F)c(-c4nn[n-]n4)c3)CC2)n1 ZINC000737534363 598692156 /nfs/dbraw/zinc/69/21/56/598692156.db2.gz LCAXNCVHYYUVKU-UHFFFAOYSA-N -1 1 393.404 1.266 20 0 GDADMM O=C(c1cocn1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000738283030 598816331 /nfs/dbraw/zinc/81/63/31/598816331.db2.gz IESWGBJKWXQLKK-UHFFFAOYSA-N -1 1 382.340 1.065 20 0 GDADMM CCOC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000736595177 599332664 /nfs/dbraw/zinc/33/26/64/599332664.db2.gz VMEJKSUPVWNDQC-UHFFFAOYSA-N -1 1 399.860 1.484 20 0 GDADMM O=C(CS(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1)Nc1c([O-])cccc1F ZINC000737931998 599366460 /nfs/dbraw/zinc/36/64/60/599366460.db2.gz ZQAFMOPLWHZYAW-UHFFFAOYSA-N -1 1 391.384 1.265 20 0 GDADMM CCN(CCCNc1cc(-c2nnn[n-]2)nc2ccccc21)S(C)(=O)=O ZINC000821206265 599487099 /nfs/dbraw/zinc/48/70/99/599487099.db2.gz AFSVDWGOKFYECD-UHFFFAOYSA-N -1 1 375.458 1.498 20 0 GDADMM CCN(CCCNc1cc(-c2nn[n-]n2)nc2ccccc21)S(C)(=O)=O ZINC000821206265 599487100 /nfs/dbraw/zinc/48/71/00/599487100.db2.gz AFSVDWGOKFYECD-UHFFFAOYSA-N -1 1 375.458 1.498 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC[C@@H](C)C(=O)OC(C)C)cc1-c1nn[n-]n1 ZINC000821978146 599492940 /nfs/dbraw/zinc/49/29/40/599492940.db2.gz JTVGSTLBOYZJGR-MRVPVSSYSA-N -1 1 380.430 1.007 20 0 GDADMM COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)N[C@@H]1c1ccc(-c2nnn[n-]2)o1 ZINC000821653785 599493153 /nfs/dbraw/zinc/49/31/53/599493153.db2.gz KUQZCZVSUQGUBT-IINYFYTJSA-N -1 1 388.384 1.152 20 0 GDADMM COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)N[C@@H]1c1ccc(-c2nn[n-]n2)o1 ZINC000821653785 599493154 /nfs/dbraw/zinc/49/31/54/599493154.db2.gz KUQZCZVSUQGUBT-IINYFYTJSA-N -1 1 388.384 1.152 20 0 GDADMM c1cc(CNc2cccc(-c3nn[n-]n3)n2)cc(OCCN2CCOCC2)c1 ZINC000823751460 599496748 /nfs/dbraw/zinc/49/67/48/599496748.db2.gz KDLLVPNALFHZKI-UHFFFAOYSA-N -1 1 381.440 1.585 20 0 GDADMM Cc1noc([C@H](C)N2CCN(c3cc(-c4nn[n-]n4)nc4ccccc43)CC2)n1 ZINC000822519766 599535061 /nfs/dbraw/zinc/53/50/61/599535061.db2.gz LASOOVMAUBUYOY-LBPRGKRZSA-N -1 1 391.439 1.990 20 0 GDADMM CCN(C1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1)S(C)(=O)=O ZINC000821165088 599546868 /nfs/dbraw/zinc/54/68/68/599546868.db2.gz OVOUVPRAOKYJHV-UHFFFAOYSA-N -1 1 385.881 1.165 20 0 GDADMM CCN(C1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1)S(C)(=O)=O ZINC000821165088 599546871 /nfs/dbraw/zinc/54/68/71/599546871.db2.gz OVOUVPRAOKYJHV-UHFFFAOYSA-N -1 1 385.881 1.165 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(Nc2ccc(CC(F)(F)F)cc2)n(C)c1=O ZINC000822601130 599579892 /nfs/dbraw/zinc/57/98/92/599579892.db2.gz UHERGXWLIMVSMT-UHFFFAOYSA-N -1 1 381.318 1.113 20 0 GDADMM Cc1oc(NC(=O)COC(=O)C[C@](C)(O)C(F)(F)F)c(-c2nn[n-]n2)c1C ZINC000822549238 599654054 /nfs/dbraw/zinc/65/40/54/599654054.db2.gz WOIVHERGISMKTQ-ZDUSSCGKSA-N -1 1 391.306 1.262 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)Nc1ccnn1C1CCCC1 ZINC000823027633 599661793 /nfs/dbraw/zinc/66/17/93/599661793.db2.gz YWGNMXQDALOOBQ-UHFFFAOYSA-N -1 1 382.384 1.369 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)Nc1ccnn1C1CCCC1 ZINC000823027633 599661794 /nfs/dbraw/zinc/66/17/94/599661794.db2.gz YWGNMXQDALOOBQ-UHFFFAOYSA-N -1 1 382.384 1.369 20 0 GDADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1O ZINC000822153582 599695004 /nfs/dbraw/zinc/69/50/04/599695004.db2.gz NCJPVEFYNJBEEE-UHFFFAOYSA-N -1 1 375.366 1.380 20 0 GDADMM O=C(CC1(O)CCCC1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000822936174 599696768 /nfs/dbraw/zinc/69/67/68/599696768.db2.gz SFDDFSPXMAIKES-UHFFFAOYSA-N -1 1 387.444 1.076 20 0 GDADMM Cc1[nH]c(C(=O)[C@H](C)N2CCC(N3CCC[C@H]3C(N)=O)CC2)c(C)c1C(=O)[O-] ZINC000738236197 599712193 /nfs/dbraw/zinc/71/21/93/599712193.db2.gz LZYLTXGIYJANEP-ZFWWWQNUSA-N -1 1 390.484 1.315 20 0 GDADMM COc1ccc([C@H](NC(=O)c2ccc3c(c2)[nH]c(=S)n(C)c3=O)C(=O)[O-])cc1 ZINC000737964093 599759679 /nfs/dbraw/zinc/75/96/79/599759679.db2.gz GPPHYFBRMHGRLL-HNNXBMFYSA-N -1 1 399.428 1.787 20 0 GDADMM COC1CCN(C(C)(C)CNS(=O)(=O)c2cc(C(=O)[O-])ccc2C)CC1 ZINC000737735643 599780793 /nfs/dbraw/zinc/78/07/93/599780793.db2.gz ICVOXIKACCUYMH-UHFFFAOYSA-N -1 1 384.498 1.861 20 0 GDADMM COc1cc(C(=O)[O-])ccc1OC[C@H](O)CN1CCCN(C(=O)C(C)C)CC1 ZINC000737863587 599787935 /nfs/dbraw/zinc/78/79/35/599787935.db2.gz ORRUNPSPFXQDNJ-MRXNPFEDSA-N -1 1 394.468 1.323 20 0 GDADMM COC(=O)[C@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1F)c1ccc(OC)cc1 ZINC000737580321 599798382 /nfs/dbraw/zinc/79/83/82/599798382.db2.gz SVCGCRIIXYIQAB-OAHLLOKOSA-N -1 1 397.380 1.725 20 0 GDADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000262406730 599835818 /nfs/dbraw/zinc/83/58/18/599835818.db2.gz OTTKDCCUYAEWTB-YUELXQCFSA-N -1 1 397.435 1.734 20 0 GDADMM CN1C(=O)c2ccc(S(=O)(=O)Nc3cccc(F)c3C(=O)[O-])cc2C1=O ZINC000067660074 599851484 /nfs/dbraw/zinc/85/14/84/599851484.db2.gz BTWNVINBJJKTHR-UHFFFAOYSA-N -1 1 378.337 1.551 20 0 GDADMM CNC(=O)COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000729667174 599854422 /nfs/dbraw/zinc/85/44/22/599854422.db2.gz PCEAJZQBIAEIIJ-UHFFFAOYSA-N -1 1 398.824 1.964 20 0 GDADMM CN(C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2ccsc2C(=O)[O-])cc1 ZINC000737373827 599873732 /nfs/dbraw/zinc/87/37/32/599873732.db2.gz ICVNKUIYHZBDIB-UHFFFAOYSA-N -1 1 390.464 1.497 20 0 GDADMM COc1ccnc(N2CCN(C(=O)C(=O)Nc3cc(C(=O)[O-])ccc3C)CC2)c1 ZINC000738142780 599906845 /nfs/dbraw/zinc/90/68/45/599906845.db2.gz HOBKDGDFDWKSOY-UHFFFAOYSA-N -1 1 398.419 1.384 20 0 GDADMM COc1cc(C)c(CN2CCN(C(=O)CNC(C)(C)C(=O)[O-])CC2)cc1OC ZINC000737868141 599925721 /nfs/dbraw/zinc/92/57/21/599925721.db2.gz NDIFYTSQXFIORC-UHFFFAOYSA-N -1 1 393.484 1.109 20 0 GDADMM Cc1noc2ncc(S(=O)(=O)Nc3ccc(C(=O)NCC(=O)[O-])cc3)cc12 ZINC000508444098 599926671 /nfs/dbraw/zinc/92/66/71/599926671.db2.gz GXKQRUKUAPVCBQ-UHFFFAOYSA-N -1 1 390.377 1.146 20 0 GDADMM O=C([O-])COc1ccc(S(=O)(=O)NCc2n[nH]c(-c3ccccc3)n2)cc1 ZINC000739826822 599956307 /nfs/dbraw/zinc/95/63/07/599956307.db2.gz VFHDYNIAXHMCED-UHFFFAOYSA-N -1 1 388.405 1.414 20 0 GDADMM O=C([O-])COc1ccc(S(=O)(=O)NCc2nc(-c3ccccc3)n[nH]2)cc1 ZINC000739826822 599956309 /nfs/dbraw/zinc/95/63/09/599956309.db2.gz VFHDYNIAXHMCED-UHFFFAOYSA-N -1 1 388.405 1.414 20 0 GDADMM CC[C@@H]1CN(CCn2cccn2)CCN1CC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000736943977 599968382 /nfs/dbraw/zinc/96/83/82/599968382.db2.gz QYXAAKPLWUBNQM-GOSISDBHSA-N -1 1 399.495 1.925 20 0 GDADMM O=C([O-])C1CCN(CCCNC(=O)C2(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000739597924 599974679 /nfs/dbraw/zinc/97/46/79/599974679.db2.gz HIBMYIFVEDRHQH-UHFFFAOYSA-N -1 1 394.493 1.296 20 0 GDADMM C[C@@H](C(=O)NCC(=O)[O-])N1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000736210280 600077237 /nfs/dbraw/zinc/07/72/37/600077237.db2.gz XJEAEQUVEMYIGH-STQMWFEESA-N -1 1 380.420 1.249 20 0 GDADMM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000736203571 600083837 /nfs/dbraw/zinc/08/38/37/600083837.db2.gz DNLXWNDWEWTYTH-HIFRSBDPSA-N -1 1 375.473 1.115 20 0 GDADMM Cc1cccc(NC[C@@H]2CCN(CC(=O)Nc3nc(CC(=O)[O-])cs3)C2)n1 ZINC000738312634 600095579 /nfs/dbraw/zinc/09/55/79/600095579.db2.gz VURYFLFUMDKPAS-ZDUSSCGKSA-N -1 1 389.481 1.846 20 0 GDADMM NS(=O)(=O)c1cc(F)cc(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1 ZINC000739189968 600098217 /nfs/dbraw/zinc/09/82/17/600098217.db2.gz LCHGKJGTYSGCGB-UHFFFAOYSA-N -1 1 392.361 1.111 20 0 GDADMM O=C([O-])c1ccc2c(c1)CN(C(=O)CCNC(=O)c1n[nH]c3ccccc31)C2 ZINC000740188744 600104275 /nfs/dbraw/zinc/10/42/75/600104275.db2.gz JLZFDNPAYFZIDQ-UHFFFAOYSA-N -1 1 378.388 1.923 20 0 GDADMM Cc1[nH]c(C(=O)N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)c(C)c1C(=O)[O-] ZINC000738162736 600118267 /nfs/dbraw/zinc/11/82/67/600118267.db2.gz YOEBCXXOCFXANP-MRXNPFEDSA-N -1 1 392.500 1.197 20 0 GDADMM Cc1occc1C(=O)NC1CCN([C@H](C)C(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000738396143 600145435 /nfs/dbraw/zinc/14/54/35/600145435.db2.gz PXLBGLZLXMPONS-CYBMUJFWSA-N -1 1 391.468 1.494 20 0 GDADMM CCC[C@@](C)(NCC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1)C(=O)[O-] ZINC000736959548 600151446 /nfs/dbraw/zinc/15/14/46/600151446.db2.gz GEKCCYNUNHLDDQ-HXUWFJFHSA-N -1 1 393.459 1.910 20 0 GDADMM O=C(COC(=O)[C@H]1CCCCO1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000823018533 607421898 /nfs/dbraw/zinc/42/18/98/607421898.db2.gz QPEAEJXNXAFJAW-CQSZACIVSA-N -1 1 397.395 1.103 20 0 GDADMM O=C(COC(=O)[C@H]1CCCCO1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000823018533 607421900 /nfs/dbraw/zinc/42/19/00/607421900.db2.gz QPEAEJXNXAFJAW-CQSZACIVSA-N -1 1 397.395 1.103 20 0 GDADMM O=C([O-])c1cc(S(=O)(=O)Nc2cnn(C[C@@H]3CCCO3)c2)c(F)cc1F ZINC000740090096 600233392 /nfs/dbraw/zinc/23/33/92/600233392.db2.gz RYSZTMHNUJZASB-JTQLQIEISA-N -1 1 387.364 1.839 20 0 GDADMM O=C([O-])c1sccc1S(=O)(=O)Nc1ccc(S(=O)(=O)CCO)cc1 ZINC000740288157 600256704 /nfs/dbraw/zinc/25/67/04/600256704.db2.gz BEEXNZMQZFXURW-UHFFFAOYSA-N -1 1 391.448 1.013 20 0 GDADMM O=C([O-])[C@H]1CC12CCN(CC(=O)NCc1ccc(N3CCCC3=O)cc1)CC2 ZINC000739279146 600288395 /nfs/dbraw/zinc/28/83/95/600288395.db2.gz VGZPCKXOPIBAIE-QGZVFWFLSA-N -1 1 385.464 1.616 20 0 GDADMM COc1cccc(NC(=O)CN(C)C(=O)CN2CCC3(C[C@H]3C(=O)[O-])CC2)c1 ZINC000738106496 600310243 /nfs/dbraw/zinc/31/02/43/600310243.db2.gz NEGZTGUVMBUSHP-INIZCTEOSA-N -1 1 389.452 1.279 20 0 GDADMM CN1CCN(c2cc(CNC(=O)Nc3ccc(CNC(=O)[O-])cc3)ccn2)CC1 ZINC000737528256 600358078 /nfs/dbraw/zinc/35/80/78/600358078.db2.gz ATQRIPIDEXWCEO-UHFFFAOYSA-N -1 1 398.467 1.923 20 0 GDADMM NC(=O)c1ccc(N2CCN(C[C@@H](O)COc3ccc(C(=O)[O-])cc3)CC2)cc1 ZINC000739178380 600412631 /nfs/dbraw/zinc/41/26/31/600412631.db2.gz VYVKXXYKBPJJMI-GOSISDBHSA-N -1 1 399.447 1.046 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCCC2(C1)OCCO2 ZINC000822535288 607447050 /nfs/dbraw/zinc/44/70/50/607447050.db2.gz MKLNWVZRVZMRLY-UHFFFAOYSA-N -1 1 384.396 1.538 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCCC2(C1)OCCO2 ZINC000822535288 607447052 /nfs/dbraw/zinc/44/70/52/607447052.db2.gz MKLNWVZRVZMRLY-UHFFFAOYSA-N -1 1 384.396 1.538 20 0 GDADMM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N(C)C[C@@H](O)COCc1ccccc1 ZINC000736199536 600442204 /nfs/dbraw/zinc/44/22/04/600442204.db2.gz JMHUPEQFPYOHIW-CRAIPNDOSA-N -1 1 378.469 1.208 20 0 GDADMM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccnc(N3CCN(C)CC3)c2)cc1 ZINC000737958400 600490342 /nfs/dbraw/zinc/49/03/42/600490342.db2.gz YWUGYDJTTMVNPU-SFHVURJKSA-N -1 1 398.463 1.788 20 0 GDADMM O=C([O-])CCN(CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)C[C@@H]1CCCO1 ZINC000739718062 600510219 /nfs/dbraw/zinc/51/02/19/600510219.db2.gz INRNHWJJNWZPFY-ZWKOTPCHSA-N -1 1 394.443 1.681 20 0 GDADMM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 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CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)NCCCNC(=O)[O-])CC1 ZINC000739454640 602420418 /nfs/dbraw/zinc/42/04/18/602420418.db2.gz DQJVBFACPXATSY-CQSZACIVSA-N -1 1 395.479 1.986 20 0 GDADMM C[C@H]1CN(Cc2ccc(CNC(=O)NCCN(C)C(=O)[O-])cc2)C[C@H](C)O1 ZINC000739185899 602439660 /nfs/dbraw/zinc/43/96/60/602439660.db2.gz QZINWGNRXNXUGC-GJZGRUSLSA-N -1 1 378.473 1.705 20 0 GDADMM C[C@@H](NC(=O)[O-])C1CCN(CC(=O)N2CCN(Cc3ccco3)CC2)CC1 ZINC000739028226 602446114 /nfs/dbraw/zinc/44/61/14/602446114.db2.gz QGWHNECDIBRQAH-OAHLLOKOSA-N -1 1 378.473 1.292 20 0 GDADMM C[C@@H](CN1CCN(C)CC1)NC(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000738911516 602470181 /nfs/dbraw/zinc/47/01/81/602470181.db2.gz LGPQRWJXAIWSHJ-AWEZNQCLSA-N -1 1 375.473 1.875 20 0 GDADMM CN1CCN(c2cc(CNC(=O)c3ccc(F)c(NC(=O)[O-])c3)ccn2)CC1 ZINC000739737021 602501537 /nfs/dbraw/zinc/50/15/37/602501537.db2.gz ULOQROFSUUAWRL-UHFFFAOYSA-N -1 1 387.415 1.992 20 0 GDADMM COc1cc(C=O)ccc1OS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826179074 607571691 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602719136 /nfs/dbraw/zinc/71/91/36/602719136.db2.gz BHIJRJYMBUPYCV-NSHDSACASA-N -1 1 376.392 1.800 20 0 GDADMM O=C([O-])N1CC[C@H](CCNC(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)C1 ZINC000740424931 602719137 /nfs/dbraw/zinc/71/91/37/602719137.db2.gz BHIJRJYMBUPYCV-NSHDSACASA-N -1 1 376.392 1.800 20 0 GDADMM C[C@H]1CN(C(=O)[O-])CCN1CC(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000739161188 602737418 /nfs/dbraw/zinc/73/74/18/602737418.db2.gz OKQONEMHTIORJF-HNNXBMFYSA-N -1 1 392.525 1.858 20 0 GDADMM Cc1cccc(S(=O)(=O)Oc2cccc(C(=O)N(C)C)c2)c1-c1nn[n-]n1 ZINC000826304545 607587637 /nfs/dbraw/zinc/58/76/37/607587637.db2.gz PBZRCWUAKQIRTJ-UHFFFAOYSA-N -1 1 387.421 1.645 20 0 GDADMM C[C@H]1CN(C(=O)NC2CCN(Cc3ccccn3)CC2)CC[C@@H]1NC(=O)[O-] ZINC000739136299 602818675 /nfs/dbraw/zinc/81/86/75/602818675.db2.gz RIOPVACHPJFMBM-YOEHRIQHSA-N -1 1 375.473 1.734 20 0 GDADMM O=C([O-])NCCOc1cccc(NC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000740670570 602824634 /nfs/dbraw/zinc/82/46/34/602824634.db2.gz KVKIIQUXKFPAPB-SJORKVTESA-N -1 1 392.456 1.396 20 0 GDADMM O=C([O-])N1CCOC[C@H]1C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000740402495 602829879 /nfs/dbraw/zinc/82/98/79/602829879.db2.gz YMXTZQRTJJWCMM-INIZCTEOSA-N -1 1 381.860 1.799 20 0 GDADMM O=S(=O)(N[C@@H]1CCC[C@@H](O)C1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826488792 607591022 /nfs/dbraw/zinc/59/10/22/607591022.db2.gz ZICGPRJPBAVSJO-NXEZZACHSA-N -1 1 391.375 1.467 20 0 GDADMM C[C@H](OC(=O)[C@H]1CCN(C(=O)[O-])C1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000739041312 602900081 /nfs/dbraw/zinc/90/00/81/602900081.db2.gz DTTXYHKGPJMKJC-BHYGNILZSA-N -1 1 389.452 1.309 20 0 GDADMM C[C@@H](COc1cccc(F)c1)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824450316 607593588 /nfs/dbraw/zinc/59/35/88/607593588.db2.gz VDCSWUROCINNKQ-JTQLQIEISA-N -1 1 395.391 1.891 20 0 GDADMM C[C@@H](COc1cccc(F)c1)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824450316 607593590 /nfs/dbraw/zinc/59/35/90/607593590.db2.gz VDCSWUROCINNKQ-JTQLQIEISA-N -1 1 395.391 1.891 20 0 GDADMM O=C(CCCN1C(=O)c2ccccc2C1=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826406070 607594704 /nfs/dbraw/zinc/59/47/04/607594704.db2.gz GNNPOFPZIWZGAM-UHFFFAOYSA-N -1 1 392.375 1.381 20 0 GDADMM O=C(CCCN1C(=O)c2ccccc2C1=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826406070 607594705 /nfs/dbraw/zinc/59/47/05/607594705.db2.gz GNNPOFPZIWZGAM-UHFFFAOYSA-N -1 1 392.375 1.381 20 0 GDADMM CCOCCN1CCN(C(=O)N[C@H](C)[C@@H]2CCCN(C(=O)[O-])C2)C[C@@H]1CC ZINC000739489129 602973534 /nfs/dbraw/zinc/97/35/34/602973534.db2.gz PYHAVFYFNOBXAP-ZACQAIPSSA-N -1 1 384.521 1.907 20 0 GDADMM CC(=O)N(C)C1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000823967836 607598342 /nfs/dbraw/zinc/59/83/42/607598342.db2.gz QJXMMMBOIXJPTK-UHFFFAOYSA-N -1 1 398.876 1.152 20 0 GDADMM CC(=O)N(C)C1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000823967836 607598343 /nfs/dbraw/zinc/59/83/43/607598343.db2.gz QJXMMMBOIXJPTK-UHFFFAOYSA-N -1 1 398.876 1.152 20 0 GDADMM COCCN(CC(F)(F)F)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826157841 607600297 /nfs/dbraw/zinc/60/02/97/607600297.db2.gz ODQDFQPJXKLHFR-UHFFFAOYSA-N -1 1 383.327 1.205 20 0 GDADMM COCCN(CC(F)(F)F)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826157841 607600299 /nfs/dbraw/zinc/60/02/99/607600299.db2.gz ODQDFQPJXKLHFR-UHFFFAOYSA-N -1 1 383.327 1.205 20 0 GDADMM COCCN(CC(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826157608 607600330 /nfs/dbraw/zinc/60/03/30/607600330.db2.gz CXFSLBYEJTYIAZ-UHFFFAOYSA-N -1 1 399.782 1.720 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCC(n2cccn2)CC1 ZINC000826495725 607601755 /nfs/dbraw/zinc/60/17/55/607601755.db2.gz ZAFDEUZXYABHHE-UHFFFAOYSA-N -1 1 393.860 1.742 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCC(n2cccn2)CC1 ZINC000826495725 607601757 /nfs/dbraw/zinc/60/17/57/607601757.db2.gz ZAFDEUZXYABHHE-UHFFFAOYSA-N -1 1 393.860 1.742 20 0 GDADMM CSCC[C@H](NC(=O)[O-])C(=O)N1CCO[C@H](c2nc(C(C)(C)C)n[nH]2)C1 ZINC000829730968 603079516 /nfs/dbraw/zinc/07/95/16/603079516.db2.gz PLYSXXBYKZBRHR-QWRGUYRKSA-N -1 1 385.490 1.391 20 0 GDADMM CSCC[C@H](NC(=O)[O-])C(=O)N1CCO[C@H](c2nnc(C(C)(C)C)[nH]2)C1 ZINC000829730968 603079518 /nfs/dbraw/zinc/07/95/18/603079518.db2.gz PLYSXXBYKZBRHR-QWRGUYRKSA-N -1 1 385.490 1.391 20 0 GDADMM COc1cccc([C@H](CNC(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)N(C)C)c1 ZINC000739946893 603107694 /nfs/dbraw/zinc/10/76/94/603107694.db2.gz YCMCOPZRZIAMTI-KRWDZBQOSA-N -1 1 392.500 1.488 20 0 GDADMM Cc1ccc([C@H](CNC(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)N2CCCC2)o1 ZINC000740111875 603126241 /nfs/dbraw/zinc/12/62/41/603126241.db2.gz AVJZORAWRVLVSA-INIZCTEOSA-N -1 1 392.500 1.915 20 0 GDADMM CN(C(=O)[O-])[C@H]1CCCN(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)C1 ZINC000739585191 603127792 /nfs/dbraw/zinc/12/77/92/603127792.db2.gz QVRJJWIIQWPICE-ZDUSSCGKSA-N -1 1 376.392 1.895 20 0 GDADMM CN(C(=O)[O-])[C@H]1CCCN(C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)C1 ZINC000739585191 603127796 /nfs/dbraw/zinc/12/77/96/603127796.db2.gz QVRJJWIIQWPICE-ZDUSSCGKSA-N -1 1 376.392 1.895 20 0 GDADMM COc1ccc(-c2n[nH]c(CNC(=O)N3CC[C@H](CN(C)C(=O)[O-])C3)n2)cc1 ZINC000739878409 603128149 /nfs/dbraw/zinc/12/81/49/603128149.db2.gz FSMDPVXBWAXNCA-GFCCVEGCSA-N -1 1 388.428 1.622 20 0 GDADMM COc1ccc(-c2nc(CNC(=O)N3CC[C@H](CN(C)C(=O)[O-])C3)n[nH]2)cc1 ZINC000739878409 603128151 /nfs/dbraw/zinc/12/81/51/603128151.db2.gz FSMDPVXBWAXNCA-GFCCVEGCSA-N -1 1 388.428 1.622 20 0 GDADMM Cc1nc(C)c(CCNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)s1 ZINC000826324456 607612322 /nfs/dbraw/zinc/61/23/22/607612322.db2.gz RNCNKXATJZNIMA-UHFFFAOYSA-N -1 1 382.446 1.600 20 0 GDADMM O=S(=O)(NC[C@H]1OCCc2ccccc21)c1cccc(F)c1-c1nnn[n-]1 ZINC000826490777 607616099 /nfs/dbraw/zinc/61/60/99/607616099.db2.gz HHBBVFZUWOAKQG-CQSZACIVSA-N -1 1 389.412 1.598 20 0 GDADMM O=S(=O)(NC[C@H]1OCCc2ccccc21)c1cccc(F)c1-c1nn[n-]n1 ZINC000826490777 607616101 /nfs/dbraw/zinc/61/61/01/607616101.db2.gz HHBBVFZUWOAKQG-CQSZACIVSA-N -1 1 389.412 1.598 20 0 GDADMM CC(C)C[C@H](CO)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824237911 607623577 /nfs/dbraw/zinc/62/35/77/607623577.db2.gz WPTYTDBMIJGOFC-SNVBAGLBSA-N -1 1 393.391 1.571 20 0 GDADMM O=C(CN(C[C@H]1CCCO1)C(=O)[O-])NCC1(N2CCOCC2)CCCCC1 ZINC000740364960 603382797 /nfs/dbraw/zinc/38/27/97/603382797.db2.gz MAXRTOHJVRGLHW-MRXNPFEDSA-N -1 1 383.489 1.297 20 0 GDADMM C[C@@H](CNC(=O)CN(C[C@H]1CCCO1)C(=O)[O-])N1CCc2ccccc2C1 ZINC000738919523 603392275 /nfs/dbraw/zinc/39/22/75/603392275.db2.gz YEBTUFWJLJTTHE-MAUKXSAKSA-N -1 1 375.469 1.708 20 0 GDADMM O=S(=O)(NCc1ccc(CO)c(F)c1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826491907 607628556 /nfs/dbraw/zinc/62/85/56/607628556.db2.gz JKUUEDHLBISZQZ-UHFFFAOYSA-N -1 1 397.819 1.630 20 0 GDADMM O=S(=O)(NCc1ccc(CO)c(F)c1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826491907 607628557 /nfs/dbraw/zinc/62/85/57/607628557.db2.gz JKUUEDHLBISZQZ-UHFFFAOYSA-N -1 1 397.819 1.630 20 0 GDADMM COC(=O)[C@@]1(NC(=O)[C@@H](C)CN(C)C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000828623845 603444808 /nfs/dbraw/zinc/44/48/08/603444808.db2.gz ICPOZOWOSKSBDY-MGPUTAFESA-N -1 1 391.468 1.556 20 0 GDADMM O=S(=O)(N[C@H]1CCc2c1cccc2O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826489620 607631275 /nfs/dbraw/zinc/63/12/75/607631275.db2.gz VWJFEKCYSQSBQT-ZDUSSCGKSA-N -1 1 375.385 1.677 20 0 GDADMM O=S(=O)(N[C@@H](CCO)C1CCCCC1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826487393 607634753 /nfs/dbraw/zinc/63/47/53/607634753.db2.gz NIFMDZRLVNGHKF-ZDUSSCGKSA-N -1 1 383.449 1.615 20 0 GDADMM O=S(=O)(N[C@@H](CCO)C1CCCCC1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826487393 607634754 /nfs/dbraw/zinc/63/47/54/607634754.db2.gz NIFMDZRLVNGHKF-ZDUSSCGKSA-N -1 1 383.449 1.615 20 0 GDADMM O=C([O-])Nc1ccc(CNCc2ccc(C(=O)N3CCNC(=O)C3)cc2)cn1 ZINC000832842181 603540188 /nfs/dbraw/zinc/54/01/88/603540188.db2.gz PTAYEKGQOGRZMO-UHFFFAOYSA-N -1 1 383.408 1.033 20 0 GDADMM CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N1CCC[C@H](CNC(=O)[O-])C1 ZINC000828042637 603562067 /nfs/dbraw/zinc/56/20/67/603562067.db2.gz KLUOGKKKGHQRQP-GFCCVEGCSA-N -1 1 377.445 1.359 20 0 GDADMM CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N1CCC[C@H]1CN(C)C(=O)[O-] ZINC000828042711 603562240 /nfs/dbraw/zinc/56/22/40/603562240.db2.gz NNUHMBXKBKYUDS-AWEZNQCLSA-N -1 1 377.445 1.453 20 0 GDADMM O=C([O-])NC[C@@H](NC(=O)N1CCN(C2CCOCC2)CC1)C1CCCCC1 ZINC000832421864 603573251 /nfs/dbraw/zinc/57/32/51/603573251.db2.gz OVBFRTFNLSBEMQ-QGZVFWFLSA-N -1 1 382.505 1.709 20 0 GDADMM O=C([O-])N[C@@H](CCC(=O)N1CCN(C[C@@H]2CCOC2)CC1)c1ccccc1 ZINC000832121525 603585247 /nfs/dbraw/zinc/58/52/47/603585247.db2.gz WNPLKSTUJFZRMH-WMZOPIPTSA-N -1 1 375.469 1.956 20 0 GDADMM O=C([O-])NC[C@@H]1CCCC[C@@]12NC(=O)N(CN1CCC[C@@H]1C1CCC1)C2=O ZINC000832498750 603600480 /nfs/dbraw/zinc/60/04/80/603600480.db2.gz KYEKSTBDCTVJGR-QMTMVMCOSA-N -1 1 378.473 1.957 20 0 GDADMM COC(=O)c1ccsc1N1CC[C@@H](N(C)CC(C)(C)CNC(=O)[O-])C1=O ZINC000828804629 603628823 /nfs/dbraw/zinc/62/88/23/603628823.db2.gz OSNPTGYYCSSWEK-GFCCVEGCSA-N -1 1 383.470 1.866 20 0 GDADMM O=S(=O)(N[C@H](CCO)C1CC1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826487330 607644449 /nfs/dbraw/zinc/64/44/49/607644449.db2.gz LKOAMQJNCLPBNE-LLVKDONJSA-N -1 1 391.375 1.325 20 0 GDADMM O=C([O-])NC[C@H]1CCC[C@@H]1NC(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000832464371 603701595 /nfs/dbraw/zinc/70/15/95/603701595.db2.gz CTXKYLOUFNDKIH-WBVHZDCISA-N -1 1 375.473 1.782 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1)N(C)Cc1ccccc1 ZINC000823660859 603707682 /nfs/dbraw/zinc/70/76/82/603707682.db2.gz DTCDZCVZYCXLRC-NVXWUHKLSA-N -1 1 390.484 1.129 20 0 GDADMM CCO[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C12CCC2 ZINC000825582243 607646897 /nfs/dbraw/zinc/64/68/97/607646897.db2.gz IMCKJEADLAWWBI-ZIAGYGMSSA-N -1 1 381.433 1.632 20 0 GDADMM C[C@@H]1CCCN(CC(=O)N2CCN(Cc3ccco3)CC2)[C@H]1CNC(=O)[O-] ZINC000825919843 603714189 /nfs/dbraw/zinc/71/41/89/603714189.db2.gz TWLXFGLBMKZUSA-WBVHZDCISA-N -1 1 378.473 1.292 20 0 GDADMM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000831274498 603731357 /nfs/dbraw/zinc/73/13/57/603731357.db2.gz XAMDXZDRLTZRIH-GJZGRUSLSA-N -1 1 385.424 1.291 20 0 GDADMM C[C@H]1CN(C(=O)CCN2CCN(c3ccccn3)CC2)CC[C@@H]1NC(=O)[O-] ZINC000825983629 603830236 /nfs/dbraw/zinc/83/02/36/603830236.db2.gz MEUNLAXXVQEPOT-HOTGVXAUSA-N -1 1 375.473 1.098 20 0 GDADMM CN(CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)C1CCC(NC(=O)[O-])CC1 ZINC000828443754 603836677 /nfs/dbraw/zinc/83/66/77/603836677.db2.gz AJLWSOAMOIAVMY-UHFFFAOYSA-N -1 1 388.424 1.362 20 0 GDADMM C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)N1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000823677797 603840534 /nfs/dbraw/zinc/84/05/34/603840534.db2.gz OBWKMLFSCMVCQP-HUUCEWRRSA-N -1 1 376.457 1.113 20 0 GDADMM O=C([O-])N1CCN(C(=O)[C@@H]2CCCN(CN3C(=O)[C@@H]4CCCCC[C@H]43)C2)CC1 ZINC000832018991 603907424 /nfs/dbraw/zinc/90/74/24/603907424.db2.gz UJZTUNJRZZRFBB-BRWVUGGUSA-N -1 1 392.500 1.269 20 0 GDADMM CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(-c2nc(CNC(=O)[O-])n[nH]2)cc1 ZINC000823568668 603910084 /nfs/dbraw/zinc/91/00/84/603910084.db2.gz RLSIVCBPNYPZHR-GFCCVEGCSA-N -1 1 390.425 1.099 20 0 GDADMM CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(-c2n[nH]c(CNC(=O)[O-])n2)cc1 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C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C[C@H]2CSCCN2C(=O)[O-])C[C@H](C)O1 ZINC000826050465 605624691 /nfs/dbraw/zinc/62/46/91/605624691.db2.gz XMKJLCZXJHRMDU-FZKCQIBNSA-N -1 1 385.530 1.572 20 0 GDADMM O=C([O-])N1CCc2ccccc2[C@@H]1C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000831284298 605640722 /nfs/dbraw/zinc/64/07/22/605640722.db2.gz UVMDDNLFAWQOIR-LJQANCHMSA-N -1 1 387.480 1.835 20 0 GDADMM O=C([O-])N1CCc2ccccc2[C@H]1C(=O)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000831291202 605673521 /nfs/dbraw/zinc/67/35/21/605673521.db2.gz CSPTWTOEBISWDY-HKUYNNGSSA-N -1 1 387.480 1.977 20 0 GDADMM O=C([O-])N(CC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)CC1CC1 ZINC000834005219 605682679 /nfs/dbraw/zinc/68/26/79/605682679.db2.gz BMKDZVCFABYRDY-ZWKOTPCHSA-N -1 1 375.469 1.376 20 0 GDADMM O=C([O-])NC1CCC(C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)CC1 ZINC000834167246 605683360 /nfs/dbraw/zinc/68/33/60/605683360.db2.gz BMCKJUYEKKVBRP-JEVOJNTISA-N -1 1 389.496 1.812 20 0 GDADMM O=C([O-])N1CCC[C@@H]1CNC(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000834028616 605760355 /nfs/dbraw/zinc/76/03/55/605760355.db2.gz SAALNULHSJDKNB-QGZVFWFLSA-N -1 1 382.505 1.663 20 0 GDADMM O=C([O-])N1CCC[C@H](NC(=O)N2CCC(CCCN3CCOCC3)CC2)C1 ZINC000834098540 605764951 /nfs/dbraw/zinc/76/49/51/605764951.db2.gz MMXBZUQQJLIQHG-KRWDZBQOSA-N -1 1 382.505 1.663 20 0 GDADMM O=C([O-])N[C@@H](CC(F)F)C(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000834127584 605812793 /nfs/dbraw/zinc/81/27/93/605812793.db2.gz HNSBJPFAQYHRCW-AWEZNQCLSA-N -1 1 377.432 1.629 20 0 GDADMM O=C([O-])N[C@H](CNC(=O)NCC1(CN2CCOCC2)CCCCC1)C1CC1 ZINC000834143221 605849155 /nfs/dbraw/zinc/84/91/55/605849155.db2.gz DUZQUQFQAZVSJR-MRXNPFEDSA-N -1 1 382.505 1.615 20 0 GDADMM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCC(CC(=O)N(C)C)CC1 ZINC000833403595 605852828 /nfs/dbraw/zinc/85/28/28/605852828.db2.gz AQVFNKJMLGMODU-CQSZACIVSA-N -1 1 375.469 1.580 20 0 GDADMM C[C@@H]1C[C@@H](CNC(=O)[O-])CN1CC(=O)N(CCC(N)=O)c1ccc(F)cc1 ZINC000833833256 605881128 /nfs/dbraw/zinc/88/11/28/605881128.db2.gz XBZSFYMEJCFQSW-OLZOCXBDSA-N -1 1 380.420 1.012 20 0 GDADMM O=C([O-])N1CCC2(CCN(CC(=O)NCCOc3cccc(F)c3)C2)CC1 ZINC000834008328 605897058 /nfs/dbraw/zinc/89/70/58/605897058.db2.gz WJFVOEQACIGPNW-UHFFFAOYSA-N -1 1 379.432 1.787 20 0 GDADMM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2CC(=O)NC1CCC2(CC1)OCCO2 ZINC000832234899 605940841 /nfs/dbraw/zinc/94/08/41/605940841.db2.gz NKNQSQYNPQLDKK-MQVJKMGUSA-N -1 1 381.473 1.441 20 0 GDADMM CC(C)CN1CCO[C@H](CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])C1 ZINC000833796560 605949889 /nfs/dbraw/zinc/94/98/89/605949889.db2.gz NPTBNJZGYYURDT-FCLJQHQZSA-N -1 1 382.505 1.658 20 0 GDADMM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000834095394 605965385 /nfs/dbraw/zinc/96/53/85/605965385.db2.gz MNRCMSAMZGGALB-MSOLQXFVSA-N -1 1 390.459 1.691 20 0 GDADMM CC[C@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CC[C@H]1c1ccccc1 ZINC000820995303 606038952 /nfs/dbraw/zinc/03/89/52/606038952.db2.gz PIXMEQLFENYPQP-DZGCQCFKSA-N -1 1 395.467 1.284 20 0 GDADMM C[C@@H]1[C@H](C)N(C(=O)[O-])CCN1CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000833829585 606041425 /nfs/dbraw/zinc/04/14/25/606041425.db2.gz SSSQBXAXPTVOAL-CVEARBPZSA-N -1 1 390.484 1.924 20 0 GDADMM CC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)C1CCOCC1 ZINC000820921225 606053863 /nfs/dbraw/zinc/05/38/63/606053863.db2.gz XDBSDNGRBOHXGK-GFCCVEGCSA-N -1 1 378.458 1.624 20 0 GDADMM O=C([O-])NCc1nc(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cs1 ZINC000834249701 606094545 /nfs/dbraw/zinc/09/45/45/606094545.db2.gz WNXQSWHLINCAOL-JTQLQIEISA-N -1 1 376.442 1.926 20 0 GDADMM O=C(NCC1COC1)c1c[nH]c2ccc(I)cc2c1=O ZINC000530117823 649964110 /nfs/dbraw/zinc/96/41/10/649964110.db2.gz UVCQVXWAZFGESQ-UHFFFAOYSA-N -1 1 384.173 1.509 20 0 GDADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCNc1ncccc1-c1nn[nH]n1 ZINC000822422973 606136781 /nfs/dbraw/zinc/13/67/81/606136781.db2.gz GSHACGVXKQYRAW-UHFFFAOYSA-N -1 1 397.443 1.205 20 0 GDADMM COc1ccccc1[C@@H](CC(C)C)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000821882879 606137419 /nfs/dbraw/zinc/13/74/19/606137419.db2.gz MYZNMIITEAISAH-CYBMUJFWSA-N -1 1 399.455 1.472 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(N2CCOC2=O)cc1 ZINC000823027436 606138423 /nfs/dbraw/zinc/13/84/23/606138423.db2.gz UWDSRVDWARHAIC-UHFFFAOYSA-N -1 1 399.388 1.925 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(N2CCOC2=O)cc1 ZINC000823027436 606138424 /nfs/dbraw/zinc/13/84/24/606138424.db2.gz UWDSRVDWARHAIC-UHFFFAOYSA-N -1 1 399.388 1.925 20 0 GDADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC000821990661 606152150 /nfs/dbraw/zinc/15/21/50/606152150.db2.gz UZTGKQCVIWZFSH-UHFFFAOYSA-N -1 1 375.389 1.462 20 0 GDADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc2c(c1)CCC(=O)N2 ZINC000820380243 606157910 /nfs/dbraw/zinc/15/79/10/606157910.db2.gz OAJKQBUGYFWFES-VIFPVBQESA-N -1 1 381.400 1.368 20 0 GDADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc2c(c1)CCC(=O)N2 ZINC000820380243 606157912 /nfs/dbraw/zinc/15/79/12/606157912.db2.gz OAJKQBUGYFWFES-VIFPVBQESA-N -1 1 381.400 1.368 20 0 GDADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(NC(=O)C2CC2)cc1 ZINC000820380122 606159189 /nfs/dbraw/zinc/15/91/89/606159189.db2.gz LPWXDVVLZIGPMV-JTQLQIEISA-N -1 1 395.427 1.831 20 0 GDADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(NC(=O)C2CC2)cc1 ZINC000820380122 606159190 /nfs/dbraw/zinc/15/91/90/606159190.db2.gz LPWXDVVLZIGPMV-JTQLQIEISA-N -1 1 395.427 1.831 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)n1 ZINC000822619863 606159452 /nfs/dbraw/zinc/15/94/52/606159452.db2.gz IQALXPMXVRENRA-ZDUSSCGKSA-N -1 1 384.400 1.802 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)n1 ZINC000822619863 606159454 /nfs/dbraw/zinc/15/94/54/606159454.db2.gz IQALXPMXVRENRA-ZDUSSCGKSA-N -1 1 384.400 1.802 20 0 GDADMM COc1cccc(N2CC[C@@H](CNC(=O)Nc3nn(C)cc3-c3nnn[n-]3)C2)c1 ZINC000821872694 606161219 /nfs/dbraw/zinc/16/12/19/606161219.db2.gz NUNAERLVSAGARP-LBPRGKRZSA-N -1 1 397.443 1.257 20 0 GDADMM COc1cccc(N2CC[C@@H](CNC(=O)Nc3nn(C)cc3-c3nn[n-]n3)C2)c1 ZINC000821872694 606161221 /nfs/dbraw/zinc/16/12/21/606161221.db2.gz NUNAERLVSAGARP-LBPRGKRZSA-N -1 1 397.443 1.257 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)n1 ZINC000822609616 606161441 /nfs/dbraw/zinc/16/14/41/606161441.db2.gz RYSXAGIAMGIOAX-CYBMUJFWSA-N -1 1 396.411 1.740 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)n1 ZINC000822609616 606161443 /nfs/dbraw/zinc/16/14/43/606161443.db2.gz RYSXAGIAMGIOAX-CYBMUJFWSA-N -1 1 396.411 1.740 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)Nc1cn(C)c(=O)cc1C ZINC000822162088 606188382 /nfs/dbraw/zinc/18/83/82/606188382.db2.gz YBQBNEOQUGDWHV-UHFFFAOYSA-N -1 1 379.380 1.818 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Nc1cn(C)c(=O)cc1C ZINC000822162088 606188383 /nfs/dbraw/zinc/18/83/83/606188383.db2.gz YBQBNEOQUGDWHV-UHFFFAOYSA-N -1 1 379.380 1.818 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000822004273 606192819 /nfs/dbraw/zinc/19/28/19/606192819.db2.gz DTYPRASANPCKFD-YJBOKZPZSA-N -1 1 394.435 1.291 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@H](O)COCC1CC1 ZINC000822535043 606291899 /nfs/dbraw/zinc/29/18/99/606291899.db2.gz FKSBGXAGEBYSLQ-ZDUSSCGKSA-N -1 1 386.412 1.076 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@H](O)COCC1CC1 ZINC000822535043 606291901 /nfs/dbraw/zinc/29/19/01/606291901.db2.gz FKSBGXAGEBYSLQ-ZDUSSCGKSA-N -1 1 386.412 1.076 20 0 GDADMM O=C(Cc1csc(N2CCCC2=O)n1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823118717 606294481 /nfs/dbraw/zinc/29/44/81/606294481.db2.gz NRTOXIHHQYCSRI-UHFFFAOYSA-N -1 1 385.409 1.337 20 0 GDADMM C[C@@H]1CN(c2ccc(C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])cn2)C[C@H](C)O1 ZINC000820767118 606296201 /nfs/dbraw/zinc/29/62/01/606296201.db2.gz GJJOENGTARZVRC-TXEJJXNPSA-N -1 1 395.423 1.833 20 0 GDADMM CC[C@@](C)(CC(=O)OC)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000820847931 606326140 /nfs/dbraw/zinc/32/61/40/606326140.db2.gz MZOANNHYBMOSOQ-SFHVURJKSA-N -1 1 390.444 1.365 20 0 GDADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cc(-c3nn[nH]n3)ccc2O)c1C ZINC000822184168 606337317 /nfs/dbraw/zinc/33/73/17/606337317.db2.gz OITMYNSJEIBERJ-UHFFFAOYSA-N -1 1 389.393 1.688 20 0 GDADMM CCOC(=O)C1=C(C)N(CCOC)C(=O)N[C@H]1c1ccc(-c2nn[n-]n2)s1 ZINC000821321533 606393167 /nfs/dbraw/zinc/39/31/67/606393167.db2.gz ZLPBWPRMSJEIQZ-ZDUSSCGKSA-N -1 1 392.441 1.478 20 0 GDADMM COc1cccc(C(=O)N2CCN(C(=O)c3ccc(-c4nnn[n-]4)s3)CC2)c1 ZINC000821859629 606501765 /nfs/dbraw/zinc/50/17/65/606501765.db2.gz RHNIJCXYDVTEGK-UHFFFAOYSA-N -1 1 398.448 1.535 20 0 GDADMM COc1cccc(C(=O)N2CCN(C(=O)c3ccc(-c4nn[n-]n4)s3)CC2)c1 ZINC000821859629 606501766 /nfs/dbraw/zinc/50/17/66/606501766.db2.gz RHNIJCXYDVTEGK-UHFFFAOYSA-N -1 1 398.448 1.535 20 0 GDADMM C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820563646 606519831 /nfs/dbraw/zinc/51/98/31/606519831.db2.gz SJOUQFFDZARLCE-VIFPVBQESA-N -1 1 392.466 1.409 20 0 GDADMM C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820563646 606519833 /nfs/dbraw/zinc/51/98/33/606519833.db2.gz SJOUQFFDZARLCE-VIFPVBQESA-N -1 1 392.466 1.409 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000823483277 606522154 /nfs/dbraw/zinc/52/21/54/606522154.db2.gz GFOVLNILHLHURD-UHFFFAOYSA-N -1 1 394.464 1.534 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000823483277 606522155 /nfs/dbraw/zinc/52/21/55/606522155.db2.gz GFOVLNILHLHURD-UHFFFAOYSA-N -1 1 394.464 1.534 20 0 GDADMM CCCCCn1nc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)c2ccccc2c1=O ZINC000821062228 606531944 /nfs/dbraw/zinc/53/19/44/606531944.db2.gz VNUWJYASEYUQBV-UHFFFAOYSA-N -1 1 393.411 1.742 20 0 GDADMM CCCCCn1nc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)c2ccccc2c1=O ZINC000821062228 606531946 /nfs/dbraw/zinc/53/19/46/606531946.db2.gz VNUWJYASEYUQBV-UHFFFAOYSA-N -1 1 393.411 1.742 20 0 GDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000823290045 606533265 /nfs/dbraw/zinc/53/32/65/606533265.db2.gz SKPMRUHKGNLSIO-NSHDSACASA-N -1 1 381.400 1.472 20 0 GDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000823290045 606533266 /nfs/dbraw/zinc/53/32/66/606533266.db2.gz SKPMRUHKGNLSIO-NSHDSACASA-N -1 1 381.400 1.472 20 0 GDADMM CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000819940377 606543845 /nfs/dbraw/zinc/54/38/45/606543845.db2.gz ZGDKCBCKMQJWPR-SNVBAGLBSA-N -1 1 378.458 1.915 20 0 GDADMM CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000819940377 606543847 /nfs/dbraw/zinc/54/38/47/606543847.db2.gz ZGDKCBCKMQJWPR-SNVBAGLBSA-N -1 1 378.458 1.915 20 0 GDADMM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)s1)Nc1ccc(-n2cccn2)cc1 ZINC000823005435 606546103 /nfs/dbraw/zinc/54/61/03/606546103.db2.gz QTLHMZILADIFAS-UHFFFAOYSA-N -1 1 394.420 1.482 20 0 GDADMM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)s1)Nc1ccc(-n2cccn2)cc1 ZINC000823005435 606546105 /nfs/dbraw/zinc/54/61/05/606546105.db2.gz QTLHMZILADIFAS-UHFFFAOYSA-N -1 1 394.420 1.482 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC[C@@H]2CCCO[C@H]2C(C)C)cc1-c1nn[n-]n1 ZINC000821978406 606585415 /nfs/dbraw/zinc/58/54/15/606585415.db2.gz MGBVFYXTPWTIGC-GWCFXTLKSA-N -1 1 392.485 1.870 20 0 GDADMM CC(C)[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1nnc2ccccn21 ZINC000820025844 606595697 /nfs/dbraw/zinc/59/56/97/606595697.db2.gz DIKNMLJBMLPSLI-GFCCVEGCSA-N -1 1 381.404 1.162 20 0 GDADMM CC(C)[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1nnc2ccccn21 ZINC000820025844 606595698 /nfs/dbraw/zinc/59/56/98/606595698.db2.gz DIKNMLJBMLPSLI-GFCCVEGCSA-N -1 1 381.404 1.162 20 0 GDADMM O=C(NC[C@H](O)COc1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823165984 606596958 /nfs/dbraw/zinc/59/69/58/606596958.db2.gz COSRXKVVLUYUSG-QMMMGPOBSA-N -1 1 381.364 1.376 20 0 GDADMM O=C(NC[C@H](O)COc1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823165984 606596959 /nfs/dbraw/zinc/59/69/59/606596959.db2.gz COSRXKVVLUYUSG-QMMMGPOBSA-N -1 1 381.364 1.376 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000823478581 606623930 /nfs/dbraw/zinc/62/39/30/606623930.db2.gz MNWDNEYWCIKUII-GXTWGEPZSA-N -1 1 386.437 1.288 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000823478581 606623932 /nfs/dbraw/zinc/62/39/32/606623932.db2.gz MNWDNEYWCIKUII-GXTWGEPZSA-N -1 1 386.437 1.288 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H](C)CO[C@H]1CCOC1 ZINC000822535104 606625789 /nfs/dbraw/zinc/62/57/89/606625789.db2.gz GQAVADXCKQWUFH-YPMHNXCESA-N -1 1 386.412 1.483 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H](C)CO[C@H]1CCOC1 ZINC000822535104 606625791 /nfs/dbraw/zinc/62/57/91/606625791.db2.gz GQAVADXCKQWUFH-YPMHNXCESA-N -1 1 386.412 1.483 20 0 GDADMM CCc1nc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)nn1-c1ccccc1 ZINC000821506597 606650902 /nfs/dbraw/zinc/65/09/02/606650902.db2.gz YNEXKNSKXGXJMG-UHFFFAOYSA-N -1 1 376.380 1.762 20 0 GDADMM CCc1nc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)nn1-c1ccccc1 ZINC000821506597 606650903 /nfs/dbraw/zinc/65/09/03/606650903.db2.gz YNEXKNSKXGXJMG-UHFFFAOYSA-N -1 1 376.380 1.762 20 0 GDADMM Cc1c(CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)nnn1-c1ccccc1 ZINC000822029031 606652022 /nfs/dbraw/zinc/65/20/22/606652022.db2.gz UMPGCHXXMRUWAY-UHFFFAOYSA-N -1 1 376.380 1.437 20 0 GDADMM Cc1c(CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)nnn1-c1ccccc1 ZINC000822029031 606652023 /nfs/dbraw/zinc/65/20/23/606652023.db2.gz UMPGCHXXMRUWAY-UHFFFAOYSA-N -1 1 376.380 1.437 20 0 GDADMM CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000819892064 606653415 /nfs/dbraw/zinc/65/34/15/606653415.db2.gz SGFUATLQISMBHA-GFCCVEGCSA-N -1 1 376.442 1.253 20 0 GDADMM CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000819892064 606653416 /nfs/dbraw/zinc/65/34/16/606653416.db2.gz SGFUATLQISMBHA-GFCCVEGCSA-N -1 1 376.442 1.253 20 0 GDADMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1ccc(I)cc1 ZINC000823122500 606655364 /nfs/dbraw/zinc/65/53/64/606655364.db2.gz DCAPTAVWFGDUBQ-UHFFFAOYSA-N -1 1 395.164 1.307 20 0 GDADMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1ccc(I)cc1 ZINC000823122500 606655365 /nfs/dbraw/zinc/65/53/65/606655365.db2.gz DCAPTAVWFGDUBQ-UHFFFAOYSA-N -1 1 395.164 1.307 20 0 GDADMM O=C(C[C@H]1CCCCO1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000822940941 606669907 /nfs/dbraw/zinc/66/99/07/606669907.db2.gz KRTDMOYINOEBDO-CYBMUJFWSA-N -1 1 387.444 1.340 20 0 GDADMM CCc1oc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cc1C ZINC000821558844 606737732 /nfs/dbraw/zinc/73/77/32/606737732.db2.gz HJYNBOIDCYJVBV-LBPRGKRZSA-N -1 1 382.428 1.471 20 0 GDADMM CCc1oc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cc1C ZINC000821558844 606737733 /nfs/dbraw/zinc/73/77/33/606737733.db2.gz HJYNBOIDCYJVBV-LBPRGKRZSA-N -1 1 382.428 1.471 20 0 GDADMM CCO[C@@H](CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)C(C)C ZINC000821351011 606737754 /nfs/dbraw/zinc/73/77/54/606737754.db2.gz IRRRXCYVHCULAL-KGLIPLIRSA-N -1 1 388.476 1.145 20 0 GDADMM CCO[C@@H](CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)C(C)C ZINC000821351011 606737756 /nfs/dbraw/zinc/73/77/56/606737756.db2.gz IRRRXCYVHCULAL-KGLIPLIRSA-N -1 1 388.476 1.145 20 0 GDADMM Cc1cccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1F ZINC000822284758 606738263 /nfs/dbraw/zinc/73/82/63/606738263.db2.gz YXBXYJGGUKJFAC-LBPRGKRZSA-N -1 1 382.403 1.455 20 0 GDADMM Cc1cccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1F ZINC000822284758 606738264 /nfs/dbraw/zinc/73/82/64/606738264.db2.gz YXBXYJGGUKJFAC-LBPRGKRZSA-N -1 1 382.403 1.455 20 0 GDADMM Cc1cc(F)cc(C(=O)[O-])c1NS(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1 ZINC000822203538 606764105 /nfs/dbraw/zinc/76/41/05/606764105.db2.gz YKKXAGRQVZVXPK-UHFFFAOYSA-N -1 1 395.347 1.952 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=S)NC(C1CC1)C1CC1 ZINC000820788574 606764667 /nfs/dbraw/zinc/76/46/67/606764667.db2.gz JTQCALIYOKNLNT-NSHDSACASA-N -1 1 399.528 1.230 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=S)NC(C1CC1)C1CC1 ZINC000820788574 606764668 /nfs/dbraw/zinc/76/46/68/606764668.db2.gz JTQCALIYOKNLNT-NSHDSACASA-N -1 1 399.528 1.230 20 0 GDADMM CCCc1nc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cs1 ZINC000821142707 606778301 /nfs/dbraw/zinc/77/83/01/606778301.db2.gz MEOIIISHTGFNQL-LBPRGKRZSA-N -1 1 385.501 1.776 20 0 GDADMM CCCc1nc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cs1 ZINC000821142707 606778302 /nfs/dbraw/zinc/77/83/02/606778302.db2.gz MEOIIISHTGFNQL-LBPRGKRZSA-N -1 1 385.501 1.776 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1nc2cc(F)ccc2o1 ZINC000820803751 606778575 /nfs/dbraw/zinc/77/85/75/606778575.db2.gz GTGYSOAURTZHSN-LLVKDONJSA-N -1 1 395.402 1.648 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1nc2cc(F)ccc2o1 ZINC000820803751 606778577 /nfs/dbraw/zinc/77/85/77/606778577.db2.gz GTGYSOAURTZHSN-LLVKDONJSA-N -1 1 395.402 1.648 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCCC1CCCC1 ZINC000820789295 606787058 /nfs/dbraw/zinc/78/70/58/606787058.db2.gz ZYGZDMHLWLUSBG-AWEZNQCLSA-N -1 1 399.503 1.847 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCCC1CCCC1 ZINC000820789295 606787060 /nfs/dbraw/zinc/78/70/60/606787060.db2.gz ZYGZDMHLWLUSBG-AWEZNQCLSA-N -1 1 399.503 1.847 20 0 GDADMM CCCCC[C@@H](C)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821049862 606787376 /nfs/dbraw/zinc/78/73/76/606787376.db2.gz NKHLGJRBMKLYQF-KGLIPLIRSA-N -1 1 387.492 1.846 20 0 GDADMM CCCCC[C@@H](C)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821049862 606787378 /nfs/dbraw/zinc/78/73/78/606787378.db2.gz NKHLGJRBMKLYQF-KGLIPLIRSA-N -1 1 387.492 1.846 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NC1C(C)(C)C1(C)C ZINC000820788579 606794458 /nfs/dbraw/zinc/79/44/58/606794458.db2.gz JWFYIJIAEYOOBJ-LLVKDONJSA-N -1 1 385.476 1.311 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NC1C(C)(C)C1(C)C ZINC000820788579 606794460 /nfs/dbraw/zinc/79/44/60/606794460.db2.gz JWFYIJIAEYOOBJ-LLVKDONJSA-N -1 1 385.476 1.311 20 0 GDADMM CCC(=O)N1CC[C@@H](NC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)C1 ZINC000820838508 606809491 /nfs/dbraw/zinc/80/94/91/606809491.db2.gz UOICUVPIQRSQMZ-GFCCVEGCSA-N -1 1 383.412 1.300 20 0 GDADMM CCC(=O)N1CC[C@@H](NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)C1 ZINC000820838508 606809493 /nfs/dbraw/zinc/80/94/93/606809493.db2.gz UOICUVPIQRSQMZ-GFCCVEGCSA-N -1 1 383.412 1.300 20 0 GDADMM Cc1cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)ccc1F ZINC000822168124 606820799 /nfs/dbraw/zinc/82/07/99/606820799.db2.gz LTAAJXWQKDKFPU-GFCCVEGCSA-N -1 1 382.403 1.455 20 0 GDADMM Cc1cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)ccc1F ZINC000822168124 606820801 /nfs/dbraw/zinc/82/08/01/606820801.db2.gz LTAAJXWQKDKFPU-GFCCVEGCSA-N -1 1 382.403 1.455 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)Cc1cccc(F)c1 ZINC000820774365 606822994 /nfs/dbraw/zinc/82/29/94/606822994.db2.gz BJUGDVUXOIIMQL-GFCCVEGCSA-N -1 1 382.403 1.076 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)Cc1cccc(F)c1 ZINC000820774365 606822995 /nfs/dbraw/zinc/82/29/95/606822995.db2.gz BJUGDVUXOIIMQL-GFCCVEGCSA-N -1 1 382.403 1.076 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc(Cl)s1 ZINC000820788641 606823851 /nfs/dbraw/zinc/82/38/51/606823851.db2.gz LFXRMGSISCSSAE-SECBINFHSA-N -1 1 390.860 1.723 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc(Cl)s1 ZINC000820788641 606823852 /nfs/dbraw/zinc/82/38/52/606823852.db2.gz LFXRMGSISCSSAE-SECBINFHSA-N -1 1 390.860 1.723 20 0 GDADMM Cc1c(NC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)cnn1C ZINC000822458647 606833932 /nfs/dbraw/zinc/83/39/32/606833932.db2.gz HFZJIQYTKYWMCI-UHFFFAOYSA-N -1 1 380.416 1.139 20 0 GDADMM Cc1c(NC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)cnn1C ZINC000822458647 606833933 /nfs/dbraw/zinc/83/39/33/606833933.db2.gz HFZJIQYTKYWMCI-UHFFFAOYSA-N -1 1 380.416 1.139 20 0 GDADMM Cc1noc(C)c1NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000822523064 606835387 /nfs/dbraw/zinc/83/53/87/606835387.db2.gz OYDFPDBJIKGAMK-SECBINFHSA-N -1 1 384.404 1.004 20 0 GDADMM Cc1noc(C)c1NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000822523064 606835389 /nfs/dbraw/zinc/83/53/89/606835389.db2.gz OYDFPDBJIKGAMK-SECBINFHSA-N -1 1 384.404 1.004 20 0 GDADMM CC(C)n1cc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cn1 ZINC000820788502 606835634 /nfs/dbraw/zinc/83/56/34/606835634.db2.gz IMFDHWHYEUOKFQ-LBPRGKRZSA-N -1 1 397.447 1.177 20 0 GDADMM CC(C)n1cc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cn1 ZINC000820788502 606835636 /nfs/dbraw/zinc/83/56/36/606835636.db2.gz IMFDHWHYEUOKFQ-LBPRGKRZSA-N -1 1 397.447 1.177 20 0 GDADMM Cc1cc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)sn1 ZINC000822208429 606836094 /nfs/dbraw/zinc/83/60/94/606836094.db2.gz RBEUVDLGBPPYSZ-SNVBAGLBSA-N -1 1 386.445 1.164 20 0 GDADMM Cc1cc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)sn1 ZINC000822208429 606836096 /nfs/dbraw/zinc/83/60/96/606836096.db2.gz RBEUVDLGBPPYSZ-SNVBAGLBSA-N -1 1 386.445 1.164 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cccc2c1CCC2 ZINC000820788855 606854843 /nfs/dbraw/zinc/85/48/43/606854843.db2.gz PLAJLCCHNFRTRW-CYBMUJFWSA-N -1 1 390.451 1.496 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cccc2c1CCC2 ZINC000820788855 606854844 /nfs/dbraw/zinc/85/48/44/606854844.db2.gz PLAJLCCHNFRTRW-CYBMUJFWSA-N -1 1 390.451 1.496 20 0 GDADMM CCOc1ccccc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821430840 606855679 /nfs/dbraw/zinc/85/56/79/606855679.db2.gz GAZYUFJJFSJJIJ-ZDUSSCGKSA-N -1 1 394.439 1.406 20 0 GDADMM CCOc1ccccc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821430840 606855681 /nfs/dbraw/zinc/85/56/81/606855681.db2.gz GAZYUFJJFSJJIJ-ZDUSSCGKSA-N -1 1 394.439 1.406 20 0 GDADMM CCO[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C12CCC2 ZINC000821359678 606875076 /nfs/dbraw/zinc/87/50/76/606875076.db2.gz ORYHGQWVMYBIRN-UONOGXRCSA-N -1 1 378.458 1.230 20 0 GDADMM CCO[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C12CCC2 ZINC000821359678 606875077 /nfs/dbraw/zinc/87/50/77/606875077.db2.gz ORYHGQWVMYBIRN-UONOGXRCSA-N -1 1 378.458 1.230 20 0 GDADMM O[C@@H](C[C@H]1COCCN1c1snc(Cl)c1-c1nnn[n-]1)c1ccco1 ZINC000823673174 606878992 /nfs/dbraw/zinc/87/89/92/606878992.db2.gz JXPHBNDVBXBFHO-IUCAKERBSA-N -1 1 382.833 1.899 20 0 GDADMM O[C@@H](C[C@H]1COCCN1c1snc(Cl)c1-c1nn[n-]n1)c1ccco1 ZINC000823673174 606878993 /nfs/dbraw/zinc/87/89/93/606878993.db2.gz JXPHBNDVBXBFHO-IUCAKERBSA-N -1 1 382.833 1.899 20 0 GDADMM COc1coc(COC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)cc1=O ZINC000821910418 606896342 /nfs/dbraw/zinc/89/63/42/606896342.db2.gz ACSLJSMVABPWMR-UHFFFAOYSA-N -1 1 397.347 1.878 20 0 GDADMM COc1coc(COC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)cc1=O ZINC000821910418 606896344 /nfs/dbraw/zinc/89/63/44/606896344.db2.gz ACSLJSMVABPWMR-UHFFFAOYSA-N -1 1 397.347 1.878 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCOC(C)(C)[C@@H]1C ZINC000822457994 606935564 /nfs/dbraw/zinc/93/55/64/606935564.db2.gz BKIKTPOKACNGFE-ZDUSSCGKSA-N -1 1 398.471 1.485 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCOC(C)(C)[C@@H]1C ZINC000822457994 606935566 /nfs/dbraw/zinc/93/55/66/606935566.db2.gz BKIKTPOKACNGFE-ZDUSSCGKSA-N -1 1 398.471 1.485 20 0 GDADMM O=C(Cc1ccco1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000823115498 606991208 /nfs/dbraw/zinc/99/12/08/606991208.db2.gz PQPPOPADNDVNGY-UHFFFAOYSA-N -1 1 395.379 1.599 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccc(O)c(Br)c2)n1 ZINC000822619562 607070374 /nfs/dbraw/zinc/07/03/74/607070374.db2.gz AORCHASNJVOASS-UHFFFAOYSA-N -1 1 393.205 1.390 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CC[C@H](OCC(C)C)C2)cc1-c1nn[n-]n1 ZINC000821969696 607081193 /nfs/dbraw/zinc/08/11/93/607081193.db2.gz DPSGIFURGNJRHH-JTQLQIEISA-N -1 1 378.458 1.576 20 0 GDADMM C[C@@H](C(=O)Nc1ncc(-c2nnn[n-]2)s1)S(=O)(=O)c1ccc(F)cc1 ZINC000819875677 607107883 /nfs/dbraw/zinc/10/78/83/607107883.db2.gz BLYXMRXXZHGXQH-ZETCQYMHSA-N -1 1 382.402 1.263 20 0 GDADMM C[C@@H](C(=O)Nc1ncc(-c2nn[n-]n2)s1)S(=O)(=O)c1ccc(F)cc1 ZINC000819875677 607107885 /nfs/dbraw/zinc/10/78/85/607107885.db2.gz BLYXMRXXZHGXQH-ZETCQYMHSA-N -1 1 382.402 1.263 20 0 GDADMM O=C(CNC(=O)c1ccc(Br)o1)Nc1ncc(-c2nnn[n-]2)s1 ZINC000823005467 607109022 /nfs/dbraw/zinc/10/90/22/607109022.db2.gz SGASCSYWTRLNEV-UHFFFAOYSA-N -1 1 398.202 1.047 20 0 GDADMM O=C(CNC(=O)c1ccc(Br)o1)Nc1ncc(-c2nn[n-]n2)s1 ZINC000823005467 607109023 /nfs/dbraw/zinc/10/90/23/607109023.db2.gz SGASCSYWTRLNEV-UHFFFAOYSA-N -1 1 398.202 1.047 20 0 GDADMM CC(=O)N(Cc1ncc(C(C)C)o1)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC000819789583 607125620 /nfs/dbraw/zinc/12/56/20/607125620.db2.gz VCAKXOVCJXPQHG-CYBMUJFWSA-N -1 1 397.443 1.396 20 0 GDADMM CC(=O)N(Cc1ncc(C(C)C)o1)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC000819789583 607125622 /nfs/dbraw/zinc/12/56/22/607125622.db2.gz VCAKXOVCJXPQHG-CYBMUJFWSA-N -1 1 397.443 1.396 20 0 GDADMM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@@H](c2ccsc2)O1 ZINC000820768029 607127578 /nfs/dbraw/zinc/12/75/78/607127578.db2.gz LEXFWFRIMLMYNQ-HZMBPMFUSA-N -1 1 392.466 1.474 20 0 GDADMM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@@H](c2ccsc2)O1 ZINC000820768029 607127579 /nfs/dbraw/zinc/12/75/79/607127579.db2.gz LEXFWFRIMLMYNQ-HZMBPMFUSA-N -1 1 392.466 1.474 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CCc2cc(Br)ccc21 ZINC000823127187 607210571 /nfs/dbraw/zinc/21/05/71/607210571.db2.gz WBOUNFYAYHFQFC-LLVKDONJSA-N -1 1 389.217 1.024 20 0 GDADMM CC(C)OCCOCc1cccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000820146691 607210987 /nfs/dbraw/zinc/21/09/87/607210987.db2.gz RMBFKWAJJIDRSN-UHFFFAOYSA-N -1 1 386.416 1.039 20 0 GDADMM CC(C)(NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1cccc(C(F)(F)F)c1 ZINC000819987743 607212969 /nfs/dbraw/zinc/21/29/69/607212969.db2.gz JIMYSFCAANMCLJ-UHFFFAOYSA-N -1 1 380.334 1.529 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1nnc(-c2cccc(Cl)c2)s1 ZINC000823136329 607213722 /nfs/dbraw/zinc/21/37/22/607213722.db2.gz VYJDWHVSGJEKNZ-UHFFFAOYSA-N -1 1 388.804 1.269 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N[C@@H]1CC2CCC1CC2 ZINC000820788971 607214201 /nfs/dbraw/zinc/21/42/01/607214201.db2.gz SKMMXRKLHCKPKW-VXGQWTEUSA-N -1 1 397.487 1.456 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N[C@@H]1CC2CCC1CC2 ZINC000820788971 607214202 /nfs/dbraw/zinc/21/42/02/607214202.db2.gz SKMMXRKLHCKPKW-VXGQWTEUSA-N -1 1 397.487 1.456 20 0 GDADMM COc1ccccc1[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000821882782 607215393 /nfs/dbraw/zinc/21/53/93/607215393.db2.gz KOKJUAISPAGODD-QGZVFWFLSA-N -1 1 390.407 1.373 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H](Cc1ccccc1)c1cccs1 ZINC000823126999 607217930 /nfs/dbraw/zinc/21/79/30/607217930.db2.gz QIAXNQSYALRHJE-CYBMUJFWSA-N -1 1 380.437 1.620 20 0 GDADMM C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820819330 607223586 /nfs/dbraw/zinc/22/35/86/607223586.db2.gz HOEQGJAHLURIEM-QMMMGPOBSA-N -1 1 393.238 1.911 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000823126924 607224144 /nfs/dbraw/zinc/22/41/44/607224144.db2.gz NXFLOMCSAHHVEL-HNNXBMFYSA-N -1 1 395.814 1.412 20 0 GDADMM Cc1ncc(NC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)s1 ZINC000826330121 607773711 /nfs/dbraw/zinc/77/37/11/607773711.db2.gz GONBGGWWKBBUBU-UHFFFAOYSA-N -1 1 383.441 1.862 20 0 GDADMM Cc1ncc(NC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)s1 ZINC000826330121 607773712 /nfs/dbraw/zinc/77/37/12/607773712.db2.gz GONBGGWWKBBUBU-UHFFFAOYSA-N -1 1 383.441 1.862 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)n1 ZINC000826357306 607804087 /nfs/dbraw/zinc/80/40/87/607804087.db2.gz ZVKACHGQIGTMNJ-IUODEOHRSA-N -1 1 382.428 1.890 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)n1 ZINC000826357306 607804088 /nfs/dbraw/zinc/80/40/88/607804088.db2.gz ZVKACHGQIGTMNJ-IUODEOHRSA-N -1 1 382.428 1.890 20 0 GDADMM CCN(CCc1nccs1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825428362 607818608 /nfs/dbraw/zinc/81/86/08/607818608.db2.gz KQBSOUFHJOEPOJ-UHFFFAOYSA-N -1 1 382.446 1.716 20 0 GDADMM C[C@@H]1OCC[C@@H]1SCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000825020812 607845348 /nfs/dbraw/zinc/84/53/48/607845348.db2.gz MGXLKZSVOQTHPJ-FZMZJTMJSA-N -1 1 385.453 1.902 20 0 GDADMM C[C@@H]1OCC[C@@H]1SCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000825020812 607845349 /nfs/dbraw/zinc/84/53/49/607845349.db2.gz MGXLKZSVOQTHPJ-FZMZJTMJSA-N -1 1 385.453 1.902 20 0 GDADMM COc1ccc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1-c1ccccn1 ZINC000826187186 607861224 /nfs/dbraw/zinc/86/12/24/607861224.db2.gz DVWKCUNQVDEKJY-UHFFFAOYSA-N -1 1 376.380 1.923 20 0 GDADMM COc1ccc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1-c1ccccn1 ZINC000826187186 607861225 /nfs/dbraw/zinc/86/12/25/607861225.db2.gz DVWKCUNQVDEKJY-UHFFFAOYSA-N -1 1 376.380 1.923 20 0 GDADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)NC[C@H]1COc2ccccc2O1 ZINC000826418721 607866617 /nfs/dbraw/zinc/86/66/17/607866617.db2.gz TWFDSYUZSSJNSO-NSHDSACASA-N -1 1 385.355 1.341 20 0 GDADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)NC[C@H]1COc2ccccc2O1 ZINC000826418721 607866618 /nfs/dbraw/zinc/86/66/18/607866618.db2.gz TWFDSYUZSSJNSO-NSHDSACASA-N -1 1 385.355 1.341 20 0 GDADMM O=S(=O)(NC[C@H]1CCC[C@@H]1O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826489888 607937604 /nfs/dbraw/zinc/93/76/04/607937604.db2.gz COHIALZNTOKQFH-KCJUWKMLSA-N -1 1 391.375 1.325 20 0 GDADMM O=S(=O)(N[C@H]1c2ccccc2C[C@H]1O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826489706 607971533 /nfs/dbraw/zinc/97/15/33/607971533.db2.gz XOQQOURVAIVZLQ-DOMZBBRYSA-N -1 1 391.840 1.457 20 0 GDADMM O=S(=O)(N[C@H]1c2ccccc2C[C@H]1O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826489706 607971534 /nfs/dbraw/zinc/97/15/34/607971534.db2.gz XOQQOURVAIVZLQ-DOMZBBRYSA-N -1 1 391.840 1.457 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCc2c3ccccc3[nH]c2C1 ZINC000826494758 607974451 /nfs/dbraw/zinc/97/44/51/607974451.db2.gz OFCJJQLKBLCKJE-UHFFFAOYSA-N -1 1 381.421 1.490 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCc2c3ccccc3[nH]c2C1 ZINC000826494758 607974452 /nfs/dbraw/zinc/97/44/52/607974452.db2.gz OFCJJQLKBLCKJE-UHFFFAOYSA-N -1 1 381.421 1.490 20 0 GDADMM O=Cc1ccc(OC(F)(F)C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1 ZINC000826483933 607997778 /nfs/dbraw/zinc/99/77/78/607997778.db2.gz GLPKSFSRCGBLCR-UHFFFAOYSA-N -1 1 375.291 1.995 20 0 GDADMM CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825049561 607999230 /nfs/dbraw/zinc/99/92/30/607999230.db2.gz CPVALVQZWXPMFO-SKDRFNHKSA-N -1 1 376.442 1.458 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc(CN2CCCC2=O)cc1 ZINC000826451163 607999764 /nfs/dbraw/zinc/99/97/64/607999764.db2.gz SOMCCNNYMRRLHR-UHFFFAOYSA-N -1 1 378.392 1.947 20 0 GDADMM Cn1cc(-c2ccccc2CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cn1 ZINC000826356324 608007906 /nfs/dbraw/zinc/00/79/06/608007906.db2.gz LKUVTVRGAXZADM-UHFFFAOYSA-N -1 1 378.400 1.322 20 0 GDADMM Cn1cc(-c2ccccc2CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cn1 ZINC000826356324 608007907 /nfs/dbraw/zinc/00/79/07/608007907.db2.gz LKUVTVRGAXZADM-UHFFFAOYSA-N -1 1 378.400 1.322 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@H](c2cccnc2)C2CC2)cc1-c1nn[n-]n1 ZINC000826229845 608033057 /nfs/dbraw/zinc/03/30/57/608033057.db2.gz UAEYMYUVAOSPEH-ZDUSSCGKSA-N -1 1 383.437 1.965 20 0 GDADMM O=C(N[C@@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826430104 608060706 /nfs/dbraw/zinc/06/07/06/608060706.db2.gz UDSRYMIMYLGFDM-CYBMUJFWSA-N -1 1 382.449 1.849 20 0 GDADMM O=C(N[C@@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826430104 608060707 /nfs/dbraw/zinc/06/07/07/608060707.db2.gz UDSRYMIMYLGFDM-CYBMUJFWSA-N -1 1 382.449 1.849 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCOCC12CCCC2 ZINC000826494462 608097386 /nfs/dbraw/zinc/09/73/86/608097386.db2.gz CWDHHZWNIMLSEP-UHFFFAOYSA-N -1 1 383.861 1.854 20 0 GDADMM Cc1cc([C@H]2CN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CCO2)ccc1F ZINC000826266502 608119283 /nfs/dbraw/zinc/11/92/83/608119283.db2.gz QMTLNEUFZDWJGD-CQSZACIVSA-N -1 1 386.391 1.653 20 0 GDADMM Cc1cc([C@H]2CN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CCO2)ccc1F ZINC000826266502 608119284 /nfs/dbraw/zinc/11/92/84/608119284.db2.gz QMTLNEUFZDWJGD-CQSZACIVSA-N -1 1 386.391 1.653 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCC(=O)C1CCOCC1 ZINC000826233085 608168693 /nfs/dbraw/zinc/16/86/93/608168693.db2.gz TWXOLQIBFMEXMD-UHFFFAOYSA-N -1 1 389.412 1.056 20 0 GDADMM O=S(=O)(CCNc1snc(Cl)c1-c1nnn[n-]1)NCC1CCC1 ZINC000826485310 608184922 /nfs/dbraw/zinc/18/49/22/608184922.db2.gz KXPSZVSZKCMQSE-UHFFFAOYSA-N -1 1 377.883 1.108 20 0 GDADMM O=S(=O)(CCNc1snc(Cl)c1-c1nn[n-]n1)NCC1CCC1 ZINC000826485310 608184924 /nfs/dbraw/zinc/18/49/24/608184924.db2.gz KXPSZVSZKCMQSE-UHFFFAOYSA-N -1 1 377.883 1.108 20 0 GDADMM CCC1(CO)CCN(C(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)CC1 ZINC000825171563 608208548 /nfs/dbraw/zinc/20/85/48/608208548.db2.gz RRXAGIZWYDYWAD-UHFFFAOYSA-N -1 1 388.472 1.528 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000825933953 608211703 /nfs/dbraw/zinc/21/17/03/608211703.db2.gz JURHCFFDTQSIIB-UHFFFAOYSA-N -1 1 384.231 1.512 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000825933953 608211704 /nfs/dbraw/zinc/21/17/04/608211704.db2.gz JURHCFFDTQSIIB-UHFFFAOYSA-N -1 1 384.231 1.512 20 0 GDADMM CC[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)[C@H](O)C(F)(F)F ZINC000825149315 608238004 /nfs/dbraw/zinc/23/80/04/608238004.db2.gz XIMRXBQZNHVUDN-XVKPBYJWSA-N -1 1 399.782 1.500 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000826495719 608306019 /nfs/dbraw/zinc/30/60/19/608306019.db2.gz YWUYCZKNMOOADS-QWHCGFSZSA-N -1 1 395.460 1.833 20 0 GDADMM Cc1nn(-c2ccccc2)c(CN(C)Cc2nnc3n2CCC3)c1-c1nn[n-]n1 ZINC000826332184 608314849 /nfs/dbraw/zinc/31/48/49/608314849.db2.gz MDYWMMFKVFESKD-UHFFFAOYSA-N -1 1 390.455 1.531 20 0 GDADMM O=C(O[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)c1ccc([O-])cc1F ZINC000826462180 608321230 /nfs/dbraw/zinc/32/12/30/608321230.db2.gz QIBCVSPADBBSEZ-GFCCVEGCSA-N -1 1 389.368 1.735 20 0 GDADMM C[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)c1ccccn1 ZINC000824469622 608340024 /nfs/dbraw/zinc/34/00/24/608340024.db2.gz AWTWIUVKSRNVBO-SNVBAGLBSA-N -1 1 383.416 1.029 20 0 GDADMM C[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)c1ccccn1 ZINC000824469622 608340026 /nfs/dbraw/zinc/34/00/26/608340026.db2.gz AWTWIUVKSRNVBO-SNVBAGLBSA-N -1 1 383.416 1.029 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCc2cccc(F)c2)n1 ZINC000824148406 608340271 /nfs/dbraw/zinc/34/02/71/608340271.db2.gz TYFSAZDPVYUQPC-UHFFFAOYSA-N -1 1 386.391 1.212 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCc2cccc(F)c2)n1 ZINC000824148406 608340273 /nfs/dbraw/zinc/34/02/73/608340273.db2.gz TYFSAZDPVYUQPC-UHFFFAOYSA-N -1 1 386.391 1.212 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCCc2ccsc2)n1 ZINC000824148267 608340411 /nfs/dbraw/zinc/34/04/11/608340411.db2.gz QLVHQGOSGVNRNP-UHFFFAOYSA-N -1 1 388.457 1.177 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCCc2ccsc2)n1 ZINC000824148267 608340413 /nfs/dbraw/zinc/34/04/13/608340413.db2.gz QLVHQGOSGVNRNP-UHFFFAOYSA-N -1 1 388.457 1.177 20 0 GDADMM CN(Cc1cccc(O)c1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825980725 608342817 /nfs/dbraw/zinc/34/28/17/608342817.db2.gz HULIHRCPOPZIKI-UHFFFAOYSA-N -1 1 398.427 1.121 20 0 GDADMM CN(Cc1cccc(O)c1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825980725 608342819 /nfs/dbraw/zinc/34/28/19/608342819.db2.gz HULIHRCPOPZIKI-UHFFFAOYSA-N -1 1 398.427 1.121 20 0 GDADMM C[C@@H](c1cccnc1)N(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824773176 608351098 /nfs/dbraw/zinc/35/10/98/608351098.db2.gz ZEYWPHQKMBTEDV-NSHDSACASA-N -1 1 397.443 1.371 20 0 GDADMM C[C@@H](c1cccnc1)N(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824773176 608351100 /nfs/dbraw/zinc/35/11/00/608351100.db2.gz ZEYWPHQKMBTEDV-NSHDSACASA-N -1 1 397.443 1.371 20 0 GDADMM C[C@H]1CCCC[C@@H]1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824936996 608351728 /nfs/dbraw/zinc/35/17/28/608351728.db2.gz NYSVLGWZUXZNHO-NWDGAFQWSA-N -1 1 388.476 1.699 20 0 GDADMM C[C@H]1CCCC[C@@H]1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824936996 608351730 /nfs/dbraw/zinc/35/17/30/608351730.db2.gz NYSVLGWZUXZNHO-NWDGAFQWSA-N -1 1 388.476 1.699 20 0 GDADMM CC(C)[C@H]1CCCCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824214948 608352759 /nfs/dbraw/zinc/35/27/59/608352759.db2.gz ISBYGPZCABUZCV-CYBMUJFWSA-N -1 1 388.476 1.794 20 0 GDADMM CC(C)[C@H]1CCCCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824214948 608352761 /nfs/dbraw/zinc/35/27/61/608352761.db2.gz ISBYGPZCABUZCV-CYBMUJFWSA-N -1 1 388.476 1.794 20 0 GDADMM CC[C@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)c1ccncc1 ZINC000825133544 608354738 /nfs/dbraw/zinc/35/47/38/608354738.db2.gz NRFWGZKOVKYCBK-ZDUSSCGKSA-N -1 1 397.443 1.419 20 0 GDADMM CC[C@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)c1ccncc1 ZINC000825133544 608354740 /nfs/dbraw/zinc/35/47/40/608354740.db2.gz NRFWGZKOVKYCBK-ZDUSSCGKSA-N -1 1 397.443 1.419 20 0 GDADMM O=C(N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000826426088 608394058 /nfs/dbraw/zinc/39/40/58/608394058.db2.gz FDIRSBKFJAXMGG-UHFFFAOYSA-N -1 1 394.483 1.522 20 0 GDADMM O=C(N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000826426088 608394060 /nfs/dbraw/zinc/39/40/60/608394060.db2.gz FDIRSBKFJAXMGG-UHFFFAOYSA-N -1 1 394.483 1.522 20 0 GDADMM CN(C[C@H](O)COc1ccccc1C(F)(F)F)c1ccc(-c2nnn[n-]2)nn1 ZINC000825901718 608403353 /nfs/dbraw/zinc/40/33/53/608403353.db2.gz JXCPTCCIHJULGF-JTQLQIEISA-N -1 1 395.345 1.552 20 0 GDADMM CN(C[C@H](O)COc1ccccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)nn1 ZINC000825901718 608403354 /nfs/dbraw/zinc/40/33/54/608403354.db2.gz JXCPTCCIHJULGF-JTQLQIEISA-N -1 1 395.345 1.552 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1ccc(Cl)nc1 ZINC000825930669 608408163 /nfs/dbraw/zinc/40/81/63/608408163.db2.gz WEBONIJPTUJYIH-UHFFFAOYSA-N -1 1 376.812 1.317 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1ccc(Cl)nc1 ZINC000825930669 608408165 /nfs/dbraw/zinc/40/81/65/608408165.db2.gz WEBONIJPTUJYIH-UHFFFAOYSA-N -1 1 376.812 1.317 20 0 GDADMM Cc1oc(NC(=O)[C@@H](C)N(C)C[C@@H](O)C(F)(F)F)c(-c2nn[n-]n2)c1C ZINC000826340816 608421170 /nfs/dbraw/zinc/42/11/70/608421170.db2.gz LXAAUGBDOMJJBS-VXNVDRBHSA-N -1 1 376.339 1.259 20 0 GDADMM Cc1cc(Cl)cc(C=O)c1OS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826267612 608422095 /nfs/dbraw/zinc/42/20/95/608422095.db2.gz MXMLUPWUFYYNHQ-UHFFFAOYSA-N -1 1 379.785 1.804 20 0 GDADMM Cc1cc(Cl)cc(C=O)c1OS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826267612 608422097 /nfs/dbraw/zinc/42/20/97/608422097.db2.gz MXMLUPWUFYYNHQ-UHFFFAOYSA-N -1 1 379.785 1.804 20 0 GDADMM OC[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)Cc1ccc(C(F)(F)F)cc1 ZINC000826507587 608434751 /nfs/dbraw/zinc/43/47/51/608434751.db2.gz RJPVZQQJRVWFAC-LLVKDONJSA-N -1 1 379.346 1.939 20 0 GDADMM OC[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)Cc1ccc(C(F)(F)F)cc1 ZINC000826507587 608434752 /nfs/dbraw/zinc/43/47/52/608434752.db2.gz RJPVZQQJRVWFAC-LLVKDONJSA-N -1 1 379.346 1.939 20 0 GDADMM COc1ccccc1C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC000826217763 608516543 /nfs/dbraw/zinc/51/65/43/608516543.db2.gz BCTZATCZRDPSKU-UHFFFAOYSA-N -1 1 384.465 1.895 20 0 GDADMM CC(=O)Nc1c(C)cccc1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000823995028 608556410 /nfs/dbraw/zinc/55/64/10/608556410.db2.gz XLJQNLVALAAAQZ-UHFFFAOYSA-N -1 1 397.443 1.144 20 0 GDADMM CC(=O)Nc1c(C)cccc1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000823995028 608556411 /nfs/dbraw/zinc/55/64/11/608556411.db2.gz XLJQNLVALAAAQZ-UHFFFAOYSA-N -1 1 397.443 1.144 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC=C(c3ccccc3Cl)CC2)n(C)c1=O ZINC000826355590 608556481 /nfs/dbraw/zinc/55/64/81/608556481.db2.gz GRDAGWIWLRQAPO-UHFFFAOYSA-N -1 1 399.842 1.211 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccc(-n2ccnc2)cc1 ZINC000825935142 608556598 /nfs/dbraw/zinc/55/65/98/608556598.db2.gz VSBINEPNSHLOJN-UHFFFAOYSA-N -1 1 392.427 1.063 20 0 GDADMM Cc1ccc([C@@H](C)[C@H](O)C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000826283420 608557263 /nfs/dbraw/zinc/55/72/63/608557263.db2.gz QMIFRZXRKZPSIU-WBMJQRKESA-N -1 1 398.471 1.036 20 0 GDADMM Cc1ccc([C@@H](C)[C@H](O)C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000826283420 608557266 /nfs/dbraw/zinc/55/72/66/608557266.db2.gz QMIFRZXRKZPSIU-WBMJQRKESA-N -1 1 398.471 1.036 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CNc1cccc(Cl)c1 ZINC000825929122 608558089 /nfs/dbraw/zinc/55/80/89/608558089.db2.gz AVLBPQIZDKQRNI-UHFFFAOYSA-N -1 1 389.851 1.329 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CNc1cccc(Cl)c1 ZINC000825929122 608558091 /nfs/dbraw/zinc/55/80/91/608558091.db2.gz AVLBPQIZDKQRNI-UHFFFAOYSA-N -1 1 389.851 1.329 20 0 GDADMM c1oc(C2CC2)nc1CN1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000826527109 608591127 /nfs/dbraw/zinc/59/11/27/608591127.db2.gz ZFFKIPFYJYFZQJ-UHFFFAOYSA-N -1 1 382.428 1.920 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cnn(C(C)(C)C)c1 ZINC000825001072 608840125 /nfs/dbraw/zinc/84/01/25/608840125.db2.gz WVZBCTBETWGDKB-CYBMUJFWSA-N -1 1 382.476 1.319 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1cnn(C(C)(C)C)c1 ZINC000825001072 608840126 /nfs/dbraw/zinc/84/01/26/608840126.db2.gz WVZBCTBETWGDKB-CYBMUJFWSA-N -1 1 382.476 1.319 20 0 GDADMM O=S(=O)(NC[C@H]1COC2(CCCCCC2)O1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826490607 609184518 /nfs/dbraw/zinc/18/45/18/609184518.db2.gz AUHDZQQSDLDVCH-LBPRGKRZSA-N -1 1 394.457 1.006 20 0 GDADMM O=S(=O)(NC[C@H]1COC2(CCCCCC2)O1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826490607 609184519 /nfs/dbraw/zinc/18/45/19/609184519.db2.gz AUHDZQQSDLDVCH-LBPRGKRZSA-N -1 1 394.457 1.006 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000825930350 609299223 /nfs/dbraw/zinc/29/92/23/609299223.db2.gz UERSYWDASKOEKX-CQSZACIVSA-N -1 1 395.471 1.824 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000825930350 609299224 /nfs/dbraw/zinc/29/92/24/609299224.db2.gz UERSYWDASKOEKX-CQSZACIVSA-N -1 1 395.471 1.824 20 0 GDADMM CCC1CCC(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CC1 ZINC000825191570 609300328 /nfs/dbraw/zinc/30/03/28/609300328.db2.gz CPTGBDGJTOGPTB-UHFFFAOYSA-N -1 1 375.481 1.715 20 0 GDADMM CCC1CCC(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CC1 ZINC000825191570 609300330 /nfs/dbraw/zinc/30/03/30/609300330.db2.gz CPTGBDGJTOGPTB-UHFFFAOYSA-N -1 1 375.481 1.715 20 0 GDADMM CC[C@@H]1CCC[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1 ZINC000825194428 609302023 /nfs/dbraw/zinc/30/20/23/609302023.db2.gz QQUSJRQACXIIMW-NEPJUHHUSA-N -1 1 375.481 1.715 20 0 GDADMM CC[C@@H]1CCC[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C1 ZINC000825194428 609302025 /nfs/dbraw/zinc/30/20/25/609302025.db2.gz QQUSJRQACXIIMW-NEPJUHHUSA-N -1 1 375.481 1.715 20 0 GDADMM CCC[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccccn1 ZINC000825242693 609302252 /nfs/dbraw/zinc/30/22/52/609302252.db2.gz YTKXKUVPMIEDOY-CYBMUJFWSA-N -1 1 398.475 1.682 20 0 GDADMM CCC[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccccn1 ZINC000825242693 609302254 /nfs/dbraw/zinc/30/22/54/609302254.db2.gz YTKXKUVPMIEDOY-CYBMUJFWSA-N -1 1 398.475 1.682 20 0 GDADMM CCC1(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CCCC1 ZINC000825170813 609309460 /nfs/dbraw/zinc/30/94/60/609309460.db2.gz IKCJVQRKGZWLHP-UHFFFAOYSA-N -1 1 375.481 1.716 20 0 GDADMM CCC1(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CCCC1 ZINC000825170813 609309462 /nfs/dbraw/zinc/30/94/62/609309462.db2.gz IKCJVQRKGZWLHP-UHFFFAOYSA-N -1 1 375.481 1.716 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H]2CC=C(c3ccc(F)cc3)CC2)n(C)c1=O ZINC000826355947 609320814 /nfs/dbraw/zinc/32/08/14/609320814.db2.gz UQHZGEQAKUHDMY-AWEZNQCLSA-N -1 1 397.414 1.451 20 0 GDADMM Fc1cccc(-n2ccc(NCc3cnc4cnccn34)n2)c1-c1nn[n-]n1 ZINC000826376483 609320817 /nfs/dbraw/zinc/32/08/17/609320817.db2.gz GBMPQXVMHFFLOD-UHFFFAOYSA-N -1 1 376.359 1.846 20 0 GDADMM Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000826333970 609325729 /nfs/dbraw/zinc/32/57/29/609325729.db2.gz BNXJVIFBDMKHML-SSDOTTSWSA-N -1 1 397.365 1.718 20 0 GDADMM Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000826333970 609325731 /nfs/dbraw/zinc/32/57/31/609325731.db2.gz BNXJVIFBDMKHML-SSDOTTSWSA-N -1 1 397.365 1.718 20 0 GDADMM C[C@@]1(CNC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CCOC1 ZINC000824822994 609362142 /nfs/dbraw/zinc/36/21/42/609362142.db2.gz IHDYQEPULVCSRW-KRWDZBQOSA-N -1 1 386.391 1.740 20 0 GDADMM CC1=CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CC1 ZINC000824853245 609367502 /nfs/dbraw/zinc/36/75/02/609367502.db2.gz ZCMUKQNLJSWXIL-UHFFFAOYSA-N -1 1 396.386 1.309 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(C)C[C@@H]1CCCC[C@@H]1O ZINC000826232666 609403484 /nfs/dbraw/zinc/40/34/84/609403484.db2.gz CGZUPXVERRCGIA-ZFWWWQNUSA-N -1 1 388.472 1.526 20 0 GDADMM Cc1onc(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1-c1nnn[n-]1 ZINC000826344637 609468448 /nfs/dbraw/zinc/46/84/48/609468448.db2.gz NGVDYJGSKMBARP-JTQLQIEISA-N -1 1 391.432 1.173 20 0 GDADMM Cc1onc(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1-c1nn[n-]n1 ZINC000826344637 609468451 /nfs/dbraw/zinc/46/84/51/609468451.db2.gz NGVDYJGSKMBARP-JTQLQIEISA-N -1 1 391.432 1.173 20 0 GDADMM Cc1onc(CC(=O)N(C)CCN(C)C(=O)OC(C)(C)C)c1-c1nnn[n-]1 ZINC000826343158 609468791 /nfs/dbraw/zinc/46/87/91/609468791.db2.gz OSKCYMJGRULMPS-UHFFFAOYSA-N -1 1 379.421 1.031 20 0 GDADMM Cc1onc(CC(=O)N(C)CCN(C)C(=O)OC(C)(C)C)c1-c1nn[n-]n1 ZINC000826343158 609468795 /nfs/dbraw/zinc/46/87/95/609468795.db2.gz OSKCYMJGRULMPS-UHFFFAOYSA-N -1 1 379.421 1.031 20 0 GDADMM Cc1nc(N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)ccc1Br ZINC000826326862 609525463 /nfs/dbraw/zinc/52/54/63/609525463.db2.gz HVFVMQAYWUCXSK-UHFFFAOYSA-N -1 1 392.265 1.707 20 0 GDADMM Cc1nc(N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)ccc1Br ZINC000826326862 609525465 /nfs/dbraw/zinc/52/54/65/609525465.db2.gz HVFVMQAYWUCXSK-UHFFFAOYSA-N -1 1 392.265 1.707 20 0 GDADMM C[C@@H](O)[C@@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C1 ZINC000824689492 609582519 /nfs/dbraw/zinc/58/25/19/609582519.db2.gz LNBINZKZAVNGHC-RKDXNWHRSA-N -1 1 391.375 1.277 20 0 GDADMM Cc1nn(-c2ccccc2)c(COC(=O)c2ncccc2N)c1-c1nn[n-]n1 ZINC000826333204 609621856 /nfs/dbraw/zinc/62/18/56/609621856.db2.gz YIHBGQPUQMWROG-UHFFFAOYSA-N -1 1 376.380 1.695 20 0 GDADMM Nc1ncc(Cl)cc1S(=O)(=O)Nc1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000533628447 650210838 /nfs/dbraw/zinc/21/08/38/650210838.db2.gz UVVCWIIEBDGIRD-UHFFFAOYSA-N -1 1 385.785 1.587 20 0 GDADMM Cc1nc(S[C@@H](C(=O)N[C@]2(C)CCS(=O)(=O)C2)C(C)C)[n-]c(=O)c1C ZINC000537418525 650292147 /nfs/dbraw/zinc/29/21/47/650292147.db2.gz ZDKDGPKKXRTXSR-MLGOLLRUSA-N -1 1 387.527 1.609 20 0 GDADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@@H]2CCCCS2)c(F)c1 ZINC000542240315 650401435 /nfs/dbraw/zinc/40/14/35/650401435.db2.gz NVHPGYHLQDUKRF-NSHDSACASA-N -1 1 382.504 1.761 20 0 GDADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CO)c2cccc(Cl)c2F)o1 ZINC000543621531 650424643 /nfs/dbraw/zinc/42/46/43/650424643.db2.gz SYRKTXBCPYMFBE-SNVBAGLBSA-N -1 1 377.777 1.871 20 0 GDADMM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]CC[C@@H](O)C(F)(F)F ZINC000544609731 650441846 /nfs/dbraw/zinc/44/18/46/650441846.db2.gz ULAFQMKIGJDBOU-SNVBAGLBSA-N -1 1 375.752 1.718 20 0 GDADMM CCOc1cc(Br)ccc1NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000546123088 650471760 /nfs/dbraw/zinc/47/17/60/650471760.db2.gz APIOOKPLXGBJKU-UHFFFAOYSA-N -1 1 378.186 1.831 20 0 GDADMM O=C(NC[C@]1(CCO)CCOC1)c1ccc(I)c([O-])c1 ZINC000546166353 650473249 /nfs/dbraw/zinc/47/32/49/650473249.db2.gz KNMNZNPZOQQOGN-AWEZNQCLSA-N -1 1 391.205 1.516 20 0 GDADMM O=C(NC1(c2nn[n-]n2)CCCC1)c1ccc(I)c(O)c1 ZINC000546211430 650474462 /nfs/dbraw/zinc/47/44/62/650474462.db2.gz JYUYCMITJINGHB-UHFFFAOYSA-N -1 1 399.192 1.709 20 0 GDADMM CCOCCS(=O)(=O)[N-]Cc1nc(Cc2csc([C@@H](C)OC)n2)no1 ZINC000546534181 650478472 /nfs/dbraw/zinc/47/84/72/650478472.db2.gz YRTAVQZNWJBBPV-SNVBAGLBSA-N -1 1 390.487 1.280 20 0 GDADMM O=S(=O)(CCO)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000548149751 650532481 /nfs/dbraw/zinc/53/24/81/650532481.db2.gz GIEYSVYAVPFHAZ-UHFFFAOYSA-N -1 1 375.855 1.907 20 0 GDADMM O=C([O-])CN1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000548568386 650554083 /nfs/dbraw/zinc/55/40/83/650554083.db2.gz ZGDKWGFHULACFP-UHFFFAOYSA-N -1 1 381.281 1.916 20 0 GDADMM CS(=O)(=O)N[C@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000551999976 650617316 /nfs/dbraw/zinc/61/73/16/650617316.db2.gz BYYQWGWCGHBLJS-KBPBESRZSA-N -1 1 386.495 1.819 20 0 GDADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2nccs2)C(F)(F)F)cn1 ZINC000555412590 650690495 /nfs/dbraw/zinc/69/04/95/650690495.db2.gz CZHWOMVPMDCDNM-VIFPVBQESA-N -1 1 381.357 1.907 20 0 GDADMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC(N)=O)c2)cc1Cl ZINC000555427027 650691010 /nfs/dbraw/zinc/69/10/10/650691010.db2.gz PBDZKYXLSRQQIG-UHFFFAOYSA-N -1 1 383.813 1.958 20 0 GDADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC2(COC)CC2)c(F)c1 ZINC000556308082 650702042 /nfs/dbraw/zinc/70/20/42/650702042.db2.gz GYDHNAXKCNXPKU-UHFFFAOYSA-N -1 1 380.463 1.435 20 0 GDADMM Cc1nc(C[N-]S(=O)(=O)c2cnn3c2OCCC3)sc1Br ZINC000557090501 650717782 /nfs/dbraw/zinc/71/77/82/650717782.db2.gz RRDBAFWHSZCFRH-UHFFFAOYSA-N -1 1 393.288 1.672 20 0 GDADMM CO[C@H]1CC[C@H](NS(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC(F)F)C1 ZINC000565232123 650788104 /nfs/dbraw/zinc/78/81/04/650788104.db2.gz UVQDOSZXSCQAGK-QWRGUYRKSA-N -1 1 398.453 1.076 20 0 GDADMM O=S(=O)([N-]c1cnc[nH]1)c1cccc(S(=O)(=O)N2CC[C@H]2C2CC2)c1 ZINC000565229506 650786298 /nfs/dbraw/zinc/78/62/98/650786298.db2.gz HEXOMDOURHPZHD-AWEZNQCLSA-N -1 1 382.467 1.384 20 0 GDADMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)[C@@H]1CCCCC1(C)C ZINC000565696629 650808965 /nfs/dbraw/zinc/80/89/65/650808965.db2.gz HOHLMWROMRVVIW-NSHDSACASA-N -1 1 375.516 1.768 20 0 GDADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)N(S(N)(=O)=O)CC3)c1 ZINC000566307514 650840198 /nfs/dbraw/zinc/84/01/98/650840198.db2.gz CEPAOIQAFBWNCG-UHFFFAOYSA-N -1 1 381.479 1.670 20 0 GDADMM O=S(=O)(CCCCS(=O)(=O)NCCCC1CC1)[N-]c1ccccn1 ZINC000566415956 650845147 /nfs/dbraw/zinc/84/51/47/650845147.db2.gz CIIONGGOFFMMIK-UHFFFAOYSA-N -1 1 375.516 1.713 20 0 GDADMM NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2)cc1 ZINC000007709269 644214649 /nfs/dbraw/zinc/21/46/49/644214649.db2.gz PJZSNDSRDDEVOD-UHFFFAOYSA-N -1 1 381.479 1.735 20 0 GDADMM CN(C)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc1 ZINC000016099447 644245997 /nfs/dbraw/zinc/24/59/97/644245997.db2.gz OSUNJNZIUSZVKU-UHFFFAOYSA-N -1 1 384.435 1.466 20 0 GDADMM NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1 ZINC000022902812 644268246 /nfs/dbraw/zinc/26/82/46/644268246.db2.gz FVXFKPIOYMGCOH-UHFFFAOYSA-N -1 1 380.403 1.241 20 0 GDADMM C=CCNC(=S)N[N-]C(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1F ZINC000045846901 644355967 /nfs/dbraw/zinc/35/59/67/644355967.db2.gz PLNRBLULKPQGHR-UHFFFAOYSA-N -1 1 388.490 1.150 20 0 GDADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cn2)o1 ZINC000046315436 644361775 /nfs/dbraw/zinc/36/17/75/644361775.db2.gz GZAOTMFYNILGQL-MRVPVSSYSA-N -1 1 387.801 1.420 20 0 GDADMM COCCN1C(=O)C(=CNc2ccc(Cl)c([N+](=O)[O-])c2)C(=O)[N-]C1=S ZINC000060862338 644507923 /nfs/dbraw/zinc/50/79/23/644507923.db2.gz ATISBIUQWSUXLQ-CLFYSBASSA-N -1 1 384.801 1.434 20 0 GDADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)N(C)CC(F)(F)F ZINC000062294323 644516692 /nfs/dbraw/zinc/51/66/92/644516692.db2.gz OCZIIUMPPHQPIA-UHFFFAOYSA-N -1 1 382.360 1.626 20 0 GDADMM CC(C)n1c(=S)[n-]nc1C1CCN(C(=O)CCNS(C)(=O)=O)CC1 ZINC000068435675 644561117 /nfs/dbraw/zinc/56/11/17/644561117.db2.gz XVEHUIFEGSETMX-UHFFFAOYSA-N -1 1 375.520 1.167 20 0 GDADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)o1 ZINC000111639918 644628457 /nfs/dbraw/zinc/62/84/57/644628457.db2.gz BAYMRGLFIJTGFX-LLVKDONJSA-N -1 1 393.248 1.958 20 0 GDADMM CC(C)c1cc(C[N-]S(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)on1 ZINC000114499133 644641374 /nfs/dbraw/zinc/64/13/74/644641374.db2.gz JVANJTQFOKJINK-UHFFFAOYSA-N -1 1 376.431 1.819 20 0 GDADMM CN(Cc1cc(Br)ccc1F)C(=O)CCn1cc[n-]c(=O)c1=O ZINC000116762027 644647348 /nfs/dbraw/zinc/64/73/48/644647348.db2.gz WJACIPNRUQBUNX-UHFFFAOYSA-N -1 1 384.205 1.487 20 0 GDADMM C[S@](=O)CCC[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000134730665 644760848 /nfs/dbraw/zinc/76/08/48/644760848.db2.gz MFDRXRQGYLBHQT-QGZVFWFLSA-N -1 1 375.697 1.544 20 0 GDADMM NC(=O)CN1CCC([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CC1 ZINC000151041357 644777685 /nfs/dbraw/zinc/77/76/85/644777685.db2.gz KSNGUESNROYVQI-UHFFFAOYSA-N -1 1 399.822 1.587 20 0 GDADMM COC[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)C(N)=O ZINC000161497816 644853752 /nfs/dbraw/zinc/85/37/52/644853752.db2.gz SDKAOEHVMAMHIJ-QMMMGPOBSA-N -1 1 389.630 1.020 20 0 GDADMM Cc1cc(NC(=O)C(=O)N[N-]C(=O)c2cc(F)ccc2Br)n(C)n1 ZINC000184226453 644975498 /nfs/dbraw/zinc/97/54/98/644975498.db2.gz XXEHALGAVLDTSU-UHFFFAOYSA-N -1 1 398.192 1.030 20 0 GDADMM CCn1cc(Br)cc1C(=O)OCCc1c(C)nc2[n-]cnn2c1=O ZINC000185461040 644986867 /nfs/dbraw/zinc/98/68/67/644986867.db2.gz COTJAMKQDZVBAW-UHFFFAOYSA-N -1 1 394.229 1.709 20 0 GDADMM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])N1CCCCC1=O ZINC000194592888 645061916 /nfs/dbraw/zinc/06/19/16/645061916.db2.gz ZGWNALAJIBHNFW-SNVBAGLBSA-N -1 1 375.834 1.928 20 0 GDADMM COC(=O)[C@H]([N-]S(=O)(=O)CC1(C)COC1)c1ccc(OC(F)F)cc1 ZINC000569174832 650986943 /nfs/dbraw/zinc/98/69/43/650986943.db2.gz MUVFERKDHXZWRA-GFCCVEGCSA-N -1 1 379.381 1.458 20 0 GDADMM Cc1nc(S(=O)(=O)[N-][C@](C)(CO)c2ccccc2)c(Br)n1C ZINC000319068975 645250449 /nfs/dbraw/zinc/25/04/49/645250449.db2.gz JHCFQKGJFXSFTP-CQSZACIVSA-N -1 1 388.287 1.677 20 0 GDADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@H]2[C@H]2CCCO2)c(F)c1 ZINC000328901260 645287109 /nfs/dbraw/zinc/28/71/09/645287109.db2.gz YWEXEUBEXJQQGI-UONOGXRCSA-N -1 1 392.474 1.529 20 0 GDADMM C[C@H](C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])C(F)(F)F ZINC000330639023 645389074 /nfs/dbraw/zinc/38/90/74/645389074.db2.gz PATSWTKEMOSNIK-SECBINFHSA-N -1 1 382.360 1.550 20 0 GDADMM C[C@@H]1CN(CCC[N-]S(=O)(=O)c2ccc(Br)o2)C[C@H](C)O1 ZINC000330823443 645423645 /nfs/dbraw/zinc/42/36/45/645423645.db2.gz PZDZDCCPTRJTLK-PHIMTYICSA-N -1 1 381.292 1.820 20 0 GDADMM CCC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000331082695 645462285 /nfs/dbraw/zinc/46/22/85/645462285.db2.gz YKYGTDOIUYJZIT-ZDUSSCGKSA-N -1 1 392.474 1.720 20 0 GDADMM C[C@@H]1CCOCCN1S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC(F)F ZINC000349481983 645549085 /nfs/dbraw/zinc/54/90/85/645549085.db2.gz PUNXYYFPBGQQGC-LLVKDONJSA-N -1 1 398.453 1.030 20 0 GDADMM Cc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CC[C@H](C)C2)c1 ZINC000349594655 645567241 /nfs/dbraw/zinc/56/72/41/645567241.db2.gz STHSHYLRHWNNKO-JSGCOSHPSA-N -1 1 375.516 1.630 20 0 GDADMM O=S(=O)(CCCS(=O)(=O)NC1CC=CC1)[N-]c1cc(C2CC2)ccn1 ZINC000349595919 645568461 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/nfs/dbraw/zinc/42/32/73/945423273.db2.gz ARNCLDRPSLJZTQ-SNVBAGLBSA-N -1 1 385.457 1.074 20 0 GDADMM CCc1ncc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)s1 ZINC001571261128 945423276 /nfs/dbraw/zinc/42/32/76/945423276.db2.gz ARNCLDRPSLJZTQ-SNVBAGLBSA-N -1 1 385.457 1.074 20 0 GDADMM CC(C)c1ncc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)s1 ZINC001571261677 945429789 /nfs/dbraw/zinc/42/97/89/945429789.db2.gz IFNSWUZICILSOO-SNVBAGLBSA-N -1 1 385.457 1.563 20 0 GDADMM CC(C)c1ncc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)s1 ZINC001571261677 945429792 /nfs/dbraw/zinc/42/97/92/945429792.db2.gz IFNSWUZICILSOO-SNVBAGLBSA-N -1 1 385.457 1.563 20 0 GDADMM CCc1nc(N[C@H]2C[C@@H](C)N(C(=O)c3cscn3)C2)cc(-c2nnn[n-]2)n1 ZINC001571262081 945432806 /nfs/dbraw/zinc/43/28/06/945432806.db2.gz MZYAWPXINVHISY-ZJUUUORDSA-N -1 1 385.457 1.391 20 0 GDADMM CCc1nc(N[C@H]2C[C@@H](C)N(C(=O)c3cscn3)C2)cc(-c2nn[n-]n2)n1 ZINC001571262081 945432815 /nfs/dbraw/zinc/43/28/15/945432815.db2.gz MZYAWPXINVHISY-ZJUUUORDSA-N -1 1 385.457 1.391 20 0 GDADMM C[C@@H]1CN(C(=O)Cc2cscn2)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571262356 945436895 /nfs/dbraw/zinc/43/68/95/945436895.db2.gz PUMFOECYHAGTBP-PWSUYJOCSA-N -1 1 385.457 1.005 20 0 GDADMM C[C@@H]1CN(C(=O)Cc2cscn2)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571262356 945436900 /nfs/dbraw/zinc/43/69/00/945436900.db2.gz PUMFOECYHAGTBP-PWSUYJOCSA-N -1 1 385.457 1.005 20 0 GDADMM C[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CN1C(=O)CCc1nccs1 ZINC001571262800 945443321 /nfs/dbraw/zinc/44/33/21/945443321.db2.gz YLSKMJQSMAKRAQ-GHMZBOCLSA-N -1 1 385.457 1.147 20 0 GDADMM C[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CN1C(=O)CCc1nccs1 ZINC001571262800 945443324 /nfs/dbraw/zinc/44/33/24/945443324.db2.gz YLSKMJQSMAKRAQ-GHMZBOCLSA-N -1 1 385.457 1.147 20 0 GDADMM Cc1nsc(N(C)C2CCN(C(=O)c3cccnn3)CC2)c1-c1nn[n-]n1 ZINC001571262913 945445683 /nfs/dbraw/zinc/44/56/83/945445683.db2.gz BXYLXYPNKHCQCZ-UHFFFAOYSA-N -1 1 385.457 1.163 20 0 GDADMM Cc1nsc(NCC[C@H]2CCN(C(=O)c3cncnc3)C2)c1-c1nn[n-]n1 ZINC001571262887 945445821 /nfs/dbraw/zinc/44/58/21/945445821.db2.gz BGIXYDMUVSVONY-NSHDSACASA-N -1 1 385.457 1.386 20 0 GDADMM Cc1ncsc1C(=O)N1C[C@H](C)[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571262935 945446221 /nfs/dbraw/zinc/44/62/21/945446221.db2.gz CRVWBGGGKDHPBU-GXSJLCMTSA-N -1 1 385.457 1.242 20 0 GDADMM Cc1ncsc1C(=O)N1C[C@H](C)[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571262935 945446227 /nfs/dbraw/zinc/44/62/27/945446227.db2.gz CRVWBGGGKDHPBU-GXSJLCMTSA-N -1 1 385.457 1.242 20 0 GDADMM Cc1ncsc1C(=O)N[C@@H]1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571262996 945448073 /nfs/dbraw/zinc/44/80/73/945448073.db2.gz DZYGKALOLLLOKH-WDEREUQCSA-N -1 1 385.457 1.432 20 0 GDADMM Cc1ncsc1C(=O)N[C@@H]1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571262996 945448077 /nfs/dbraw/zinc/44/80/77/945448077.db2.gz DZYGKALOLLLOKH-WDEREUQCSA-N -1 1 385.457 1.432 20 0 GDADMM Cc1nsc(N2CCC(CNC(=O)c3ccncn3)CC2)c1-c1nn[n-]n1 ZINC001571263377 945457090 /nfs/dbraw/zinc/45/70/90/945457090.db2.gz OQKPGSVGFJHAAY-UHFFFAOYSA-N -1 1 385.457 1.068 20 0 GDADMM Cc1ncsc1C(=O)N1CC[C@](C)(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571263472 945459951 /nfs/dbraw/zinc/45/99/51/945459951.db2.gz RFDVYAQIVJITDE-MRXNPFEDSA-N -1 1 385.457 1.386 20 0 GDADMM Cc1ncsc1C(=O)N1CC[C@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571263472 945459955 /nfs/dbraw/zinc/45/99/55/945459955.db2.gz RFDVYAQIVJITDE-MRXNPFEDSA-N -1 1 385.457 1.386 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)c3nccs3)[C@H](C)C2)n1 ZINC001571263611 945463609 /nfs/dbraw/zinc/46/36/09/945463609.db2.gz UXNMCGFAWADJJJ-MNOVXSKESA-N -1 1 385.457 1.527 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)c3nccs3)[C@H](C)C2)n1 ZINC001571263611 945463613 /nfs/dbraw/zinc/46/36/13/945463613.db2.gz UXNMCGFAWADJJJ-MNOVXSKESA-N -1 1 385.457 1.527 20 0 GDADMM Cc1nscc1C(=O)N[C@@H]1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571263703 945464954 /nfs/dbraw/zinc/46/49/54/945464954.db2.gz WZAFHJGKFHQQSU-ZYHUDNBSSA-N -1 1 385.457 1.432 20 0 GDADMM Cc1nscc1C(=O)N[C@@H]1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571263703 945464959 /nfs/dbraw/zinc/46/49/59/945464959.db2.gz WZAFHJGKFHQQSU-ZYHUDNBSSA-N -1 1 385.457 1.432 20 0 GDADMM O=C(c1ccc(Cl)[nH]1)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571264936 945494382 /nfs/dbraw/zinc/49/43/82/945494382.db2.gz BBXJVEMKIUPARK-AOOOYVTPSA-N -1 1 385.819 1.132 20 0 GDADMM C[C@@H]1CN(C(=O)c2c(F)cccc2F)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571266995 945558734 /nfs/dbraw/zinc/55/87/34/945558734.db2.gz FSLOPRYSHGLPAQ-SKDRFNHKSA-N -1 1 386.366 1.508 20 0 GDADMM C[C@@H]1CN(C(=O)c2c(F)cccc2F)C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571266995 945558736 /nfs/dbraw/zinc/55/87/36/945558736.db2.gz FSLOPRYSHGLPAQ-SKDRFNHKSA-N -1 1 386.366 1.508 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(F)ccc1F ZINC001571267047 945561300 /nfs/dbraw/zinc/56/13/00/945561300.db2.gz HSTJXUKAOFQSLP-RNCFNFMXSA-N -1 1 386.366 1.072 20 0 GDADMM CNC(=O)CN(Cc1ccccc1)C(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001571267269 945565860 /nfs/dbraw/zinc/56/58/60/945565860.db2.gz OHNFYGRCEJYBLU-UHFFFAOYSA-N -1 1 386.362 1.533 20 0 GDADMM CNC(=O)CN(Cc1ccccc1)C(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001571267269 945565867 /nfs/dbraw/zinc/56/58/67/945565867.db2.gz OHNFYGRCEJYBLU-UHFFFAOYSA-N -1 1 386.362 1.533 20 0 GDADMM O=C(N1C[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1)C1(CF)CCC1 ZINC001571268772 945604474 /nfs/dbraw/zinc/60/44/74/945604474.db2.gz JUZBCTHYEJUJNE-OLZOCXBDSA-N -1 1 386.435 1.081 20 0 GDADMM O=C(N1C[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1)C1(CF)CCC1 ZINC001571268772 945604481 /nfs/dbraw/zinc/60/44/81/945604481.db2.gz JUZBCTHYEJUJNE-OLZOCXBDSA-N -1 1 386.435 1.081 20 0 GDADMM O=C(NC1CC2(C1)CC(Nc1cnc(-c3nnn[n-]3)cn1)C2)[C@H]1CC[C@@H](F)C1 ZINC001571269034 945609831 /nfs/dbraw/zinc/60/98/31/945609831.db2.gz MWHCHLBNRDFFGF-FVFBXQSLSA-N -1 1 386.435 1.634 20 0 GDADMM O=C(NC1CC2(C1)CC(Nc1cnc(-c3nn[n-]n3)cn1)C2)[C@H]1CC[C@@H](F)C1 ZINC001571269034 945609835 /nfs/dbraw/zinc/60/98/35/945609835.db2.gz MWHCHLBNRDFFGF-FVFBXQSLSA-N -1 1 386.435 1.634 20 0 GDADMM O=C(N1CC[C@@H]2[C@H](CCN2c2nccnc2-c2nnn[n-]2)C1)C1(CF)CCC1 ZINC001571269311 945617532 /nfs/dbraw/zinc/61/75/32/945617532.db2.gz VCEUZUPHZDWPKN-CHWSQXEVSA-N -1 1 386.435 1.224 20 0 GDADMM O=C(N1CC[C@@H]2[C@H](CCN2c2nccnc2-c2nn[n-]n2)C1)C1(CF)CCC1 ZINC001571269311 945617535 /nfs/dbraw/zinc/61/75/35/945617535.db2.gz VCEUZUPHZDWPKN-CHWSQXEVSA-N -1 1 386.435 1.224 20 0 GDADMM Cc1nsc(N2CCC[C@H](NC(=O)c3ccn(C)c3)[C@@H]2C)c1-c1nn[n-]n1 ZINC001571271766 945651103 /nfs/dbraw/zinc/65/11/03/945651103.db2.gz IZURBCYPNAISPO-AAEUAGOBSA-N -1 1 386.485 1.757 20 0 GDADMM O=C(C[C@@H]1CCCO1)N1CCCC[C@@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001571272792 945671222 /nfs/dbraw/zinc/67/12/22/945671222.db2.gz IKTVBEXIJRWBNB-KGLIPLIRSA-N -1 1 386.460 1.409 20 0 GDADMM O=C(C[C@@H]1CCCO1)N1CCCC[C@@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001571272792 945671229 /nfs/dbraw/zinc/67/12/29/945671229.db2.gz IKTVBEXIJRWBNB-KGLIPLIRSA-N -1 1 386.460 1.409 20 0 GDADMM NC(=O)C[C@@H](NC(=O)Nc1ccnc(-c2nnn[n-]2)c1)c1ccccc1Cl ZINC001571272778 945671826 /nfs/dbraw/zinc/67/18/26/945671826.db2.gz ZTZOJYRJGJYWDE-GFCCVEGCSA-N -1 1 386.803 1.653 20 0 GDADMM NC(=O)C[C@@H](NC(=O)Nc1ccnc(-c2nn[n-]n2)c1)c1ccccc1Cl ZINC001571272778 945671829 /nfs/dbraw/zinc/67/18/29/945671829.db2.gz ZTZOJYRJGJYWDE-GFCCVEGCSA-N -1 1 386.803 1.653 20 0 GDADMM O=C(NC[C@H]1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)CC1)[C@@H]1CCOC1 ZINC001571272874 945673076 /nfs/dbraw/zinc/67/30/76/945673076.db2.gz JTWGNJWUPDSQIS-MGPQQGTHSA-N -1 1 386.460 1.028 20 0 GDADMM O=C(NC[C@H]1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)CC1)[C@@H]1CCOC1 ZINC001571272874 945673082 /nfs/dbraw/zinc/67/30/82/945673082.db2.gz JTWGNJWUPDSQIS-MGPQQGTHSA-N -1 1 386.460 1.028 20 0 GDADMM CCc1nc(NC[C@@H]2CCCN2C(=O)[C@H]2CCCOC2)cc(-c2nnn[n-]2)n1 ZINC001571273471 945689081 /nfs/dbraw/zinc/68/90/81/945689081.db2.gz XYKLQTJWAYRCAI-STQMWFEESA-N -1 1 386.460 1.049 20 0 GDADMM CCc1nc(NC[C@@H]2CCCN2C(=O)[C@H]2CCCOC2)cc(-c2nn[n-]n2)n1 ZINC001571273471 945689084 /nfs/dbraw/zinc/68/90/84/945689084.db2.gz XYKLQTJWAYRCAI-STQMWFEESA-N -1 1 386.460 1.049 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cccc(-n2cccc2)c1 ZINC000821600680 945737035 /nfs/dbraw/zinc/73/70/35/945737035.db2.gz YJCJRHBEOQRKSG-UHFFFAOYSA-N -1 1 391.439 1.668 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cccc(-n2cccc2)c1 ZINC000821600680 945737039 /nfs/dbraw/zinc/73/70/39/945737039.db2.gz YJCJRHBEOQRKSG-UHFFFAOYSA-N -1 1 391.439 1.668 20 0 GDADMM CC1(C(=O)N[C@@H]2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)CCOCC1 ZINC001571277635 945745527 /nfs/dbraw/zinc/74/55/27/945745527.db2.gz MQHSZJNOHSBEOV-CHWSQXEVSA-N -1 1 386.460 1.170 20 0 GDADMM CC1(C(=O)N[C@@H]2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)CCOCC1 ZINC001571277635 945745532 /nfs/dbraw/zinc/74/55/32/945745532.db2.gz MQHSZJNOHSBEOV-CHWSQXEVSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H]1COCC[C@@H]1C(=O)N[C@H]1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571279368 945775487 /nfs/dbraw/zinc/77/54/87/945775487.db2.gz VUOXIRXVDZKOGR-SYQHCUMBSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@@H]1COCC[C@@H]1C(=O)N[C@H]1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571279368 945775492 /nfs/dbraw/zinc/77/54/92/945775492.db2.gz VUOXIRXVDZKOGR-SYQHCUMBSA-N -1 1 386.460 1.169 20 0 GDADMM O=C(Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1)c1ncsc1C1CC1 ZINC001571279482 945779439 /nfs/dbraw/zinc/77/94/39/945779439.db2.gz PVZBJQREWCCOQM-UHFFFAOYSA-N -1 1 387.429 1.013 20 0 GDADMM O=C(Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1)c1ncsc1C1CC1 ZINC001571279482 945779443 /nfs/dbraw/zinc/77/94/43/945779443.db2.gz PVZBJQREWCCOQM-UHFFFAOYSA-N -1 1 387.429 1.013 20 0 GDADMM CCOC1CC(C(=O)N2CC[C@](C)(CNc3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571279693 945783555 /nfs/dbraw/zinc/78/35/55/945783555.db2.gz XYXFFUIKDXMIER-PWGQDJSOSA-N -1 1 386.460 1.122 20 0 GDADMM CCOC1CC(C(=O)N2CC[C@](C)(CNc3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571279693 945783569 /nfs/dbraw/zinc/78/35/69/945783569.db2.gz XYXFFUIKDXMIER-PWGQDJSOSA-N -1 1 386.460 1.122 20 0 GDADMM COc1ccc(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)cc1O ZINC000821831832 945879539 /nfs/dbraw/zinc/87/95/39/945879539.db2.gz OPUNVCXQTJWSKG-UHFFFAOYSA-N -1 1 384.396 1.870 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@@H]2CCN(C(=O)c3ccc(Cl)[nH]3)C2)n1 ZINC001571284904 945907894 /nfs/dbraw/zinc/90/78/94/945907894.db2.gz WKXQHANRGKVQBX-SNVBAGLBSA-N -1 1 387.835 1.298 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@@H]2CCN(C(=O)c3ccc(Cl)[nH]3)C2)n1 ZINC001571284904 945907903 /nfs/dbraw/zinc/90/79/03/945907903.db2.gz WKXQHANRGKVQBX-SNVBAGLBSA-N -1 1 387.835 1.298 20 0 GDADMM Cc1nsc(N2C[C@@H](CNC(=O)[C@H]3[C@@H]4CCC[C@@H]43)[C@H](C)C2)c1-c1nn[n-]n1 ZINC001571285066 945910903 /nfs/dbraw/zinc/91/09/03/945910903.db2.gz XWEKGWTUDBTYNP-VEPFAGFCSA-N -1 1 387.513 1.866 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)NC[C@@]2(O)CCSC2)c1-c1nn[n-]n1 ZINC000821989902 945914170 /nfs/dbraw/zinc/91/41/70/945914170.db2.gz NRMRVKMGUIKBPN-INIZCTEOSA-N -1 1 392.510 1.459 20 0 GDADMM Cn1cc(Cl)cc1C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571285794 945927712 /nfs/dbraw/zinc/92/77/12/945927712.db2.gz OIXGTRXCEFNQCD-LLVKDONJSA-N -1 1 387.835 1.047 20 0 GDADMM Cn1cc(Cl)cc1C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571285794 945927724 /nfs/dbraw/zinc/92/77/24/945927724.db2.gz OIXGTRXCEFNQCD-LLVKDONJSA-N -1 1 387.835 1.047 20 0 GDADMM COc1ncc(NC(=O)NCC2(CC(N)=O)CCCCC2)cc1-c1nn[n-]n1 ZINC001571286785 945957403 /nfs/dbraw/zinc/95/74/03/945957403.db2.gz RJMUHZYBNRZOIV-UHFFFAOYSA-N -1 1 388.432 1.218 20 0 GDADMM CN(C[C@@H]1CCCN1C(=O)c1sccc1F)c1ccnc(-c2nn[n-]n2)n1 ZINC001571287072 945968151 /nfs/dbraw/zinc/96/81/51/945968151.db2.gz ZTLMCQWDUAJLGX-JTQLQIEISA-N -1 1 388.432 1.598 20 0 GDADMM Cc1nsc(N2CC[C@@H](NC(=O)Cc3ccon3)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571289405 946003706 /nfs/dbraw/zinc/00/37/06/946003706.db2.gz BWHVCEYXFLZRBP-MWLCHTKSSA-N -1 1 388.457 1.336 20 0 GDADMM Cc1nsc(NC[C@H]2CN(C(=O)c3ncoc3C)C[C@@H]2C)c1-c1nn[n-]n1 ZINC001571289671 946015680 /nfs/dbraw/zinc/01/56/80/946015680.db2.gz JROOSEYJKZTKFB-KWQFWETISA-N -1 1 388.457 1.748 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)[C@H]2CCCN(C(=O)CC(C)(C)O)C2)n1 ZINC001571289913 946022610 /nfs/dbraw/zinc/02/26/10/946022610.db2.gz PPIKDNHQSZPZGC-OLZOCXBDSA-N -1 1 388.476 1.165 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)[C@H]2CCCN(C(=O)CC(C)(C)O)C2)n1 ZINC001571289913 946022616 /nfs/dbraw/zinc/02/26/16/946022616.db2.gz PPIKDNHQSZPZGC-OLZOCXBDSA-N -1 1 388.476 1.165 20 0 GDADMM Cc1ccc(N2CCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)[C@@H](C)C2)cc1C ZINC000822242317 946028840 /nfs/dbraw/zinc/02/88/40/946028840.db2.gz HZDKGOGXFQJKRK-AWEZNQCLSA-N -1 1 395.471 1.960 20 0 GDADMM Cc1ccc(N2CCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)[C@@H](C)C2)cc1C ZINC000822242317 946028853 /nfs/dbraw/zinc/02/88/53/946028853.db2.gz HZDKGOGXFQJKRK-AWEZNQCLSA-N -1 1 395.471 1.960 20 0 GDADMM CC[C@@H](SC)C(=O)N1C[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001571290436 946043026 /nfs/dbraw/zinc/04/30/26/946043026.db2.gz DXUKPMJFLKMHEP-MBNYWOFBSA-N -1 1 388.501 1.083 20 0 GDADMM CC[C@@H](SC)C(=O)N1C[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571290436 946043039 /nfs/dbraw/zinc/04/30/39/946043039.db2.gz DXUKPMJFLKMHEP-MBNYWOFBSA-N -1 1 388.501 1.083 20 0 GDADMM O=C(c1ccc(Cl)o1)N1CC[C@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001571290793 946055481 /nfs/dbraw/zinc/05/54/81/946055481.db2.gz PFSKYBAUDRRLER-JTQLQIEISA-N -1 1 388.819 1.867 20 0 GDADMM O=C(c1ccc(Cl)o1)N1CC[C@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001571290793 946055495 /nfs/dbraw/zinc/05/54/95/946055495.db2.gz PFSKYBAUDRRLER-JTQLQIEISA-N -1 1 388.819 1.867 20 0 GDADMM COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001571291128 946068811 /nfs/dbraw/zinc/06/88/11/946068811.db2.gz CHGLCUNJJYRGAK-UHFFFAOYSA-N -1 1 389.393 1.984 20 0 GDADMM O=C([C@H]1CC1(F)F)N1CCC[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001571294276 946130149 /nfs/dbraw/zinc/13/01/49/946130149.db2.gz DAMCRRWQYJIVST-BDJLRTHQSA-N -1 1 390.398 1.131 20 0 GDADMM O=C([C@H]1CC1(F)F)N1CCC[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001571294276 946130157 /nfs/dbraw/zinc/13/01/57/946130157.db2.gz DAMCRRWQYJIVST-BDJLRTHQSA-N -1 1 390.398 1.131 20 0 GDADMM Cc1nsc(N2CCN(C(=O)[C@H]3CC34CCOCC4)CC2)c1-c1nn[n-]n1 ZINC001571294285 946130233 /nfs/dbraw/zinc/13/02/33/946130233.db2.gz CZVYAJATJBZCMD-GFCCVEGCSA-N -1 1 389.485 1.097 20 0 GDADMM O=C(c1ccc(C(F)F)o1)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571294450 946134269 /nfs/dbraw/zinc/13/42/69/946134269.db2.gz GVRPEOGJJDTRRL-VIFPVBQESA-N -1 1 390.354 1.904 20 0 GDADMM O=C(c1ccc(C(F)F)o1)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571294450 946134281 /nfs/dbraw/zinc/13/42/81/946134281.db2.gz GVRPEOGJJDTRRL-VIFPVBQESA-N -1 1 390.354 1.904 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)n1 ZINC000822614767 946140921 /nfs/dbraw/zinc/14/09/21/946140921.db2.gz RLZCMYSSYJOIGW-LLVKDONJSA-N -1 1 396.333 1.474 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)n1 ZINC000822614767 946140927 /nfs/dbraw/zinc/14/09/27/946140927.db2.gz RLZCMYSSYJOIGW-LLVKDONJSA-N -1 1 396.333 1.474 20 0 GDADMM O=C(c1cc(Cl)no1)N1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571295291 946159408 /nfs/dbraw/zinc/15/94/08/946159408.db2.gz WNLIBGKYFIAIDE-VIFPVBQESA-N -1 1 389.807 1.405 20 0 GDADMM O=C(c1cc(Cl)no1)N1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571295291 946159414 /nfs/dbraw/zinc/15/94/14/946159414.db2.gz WNLIBGKYFIAIDE-VIFPVBQESA-N -1 1 389.807 1.405 20 0 GDADMM Cc1nsc(NC[C@@H]2CC[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)c1-c1nn[n-]n1 ZINC001571295274 946159829 /nfs/dbraw/zinc/15/98/29/946159829.db2.gz RSEZWDBDPMGDHO-MOWSAHLDSA-N -1 1 389.485 1.221 20 0 GDADMM O=C([C@H]1C[C@@H]1C(F)F)N1CCC[C@H]2[C@@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001571296297 946192682 /nfs/dbraw/zinc/19/26/82/946192682.db2.gz TXKLZAWALOBPFE-UKJIMTQDSA-N -1 1 390.398 1.128 20 0 GDADMM O=C([C@H]1C[C@@H]1C(F)F)N1CCC[C@H]2[C@@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001571296297 946192688 /nfs/dbraw/zinc/19/26/88/946192688.db2.gz TXKLZAWALOBPFE-UKJIMTQDSA-N -1 1 390.398 1.128 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@](C)(NC(=O)[C@H]3Cc4ccccc43)C2)n1 ZINC001571298198 946208972 /nfs/dbraw/zinc/20/89/72/946208972.db2.gz CBVNHZGTPFJPRJ-MGPUTAFESA-N -1 1 390.451 1.390 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@](C)(NC(=O)[C@H]3Cc4ccccc43)C2)n1 ZINC001571298198 946208978 /nfs/dbraw/zinc/20/89/78/946208978.db2.gz CBVNHZGTPFJPRJ-MGPUTAFESA-N -1 1 390.451 1.390 20 0 GDADMM O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nnn[n-]3)n1)C2)C1C=CC=CC=C1 ZINC001571298298 946210959 /nfs/dbraw/zinc/21/09/59/946210959.db2.gz MUVYXFGTTANLGK-IMJJTQAJSA-N -1 1 390.451 1.429 20 0 GDADMM O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nn[n-]n3)n1)C2)C1C=CC=CC=C1 ZINC001571298298 946210971 /nfs/dbraw/zinc/21/09/71/946210971.db2.gz MUVYXFGTTANLGK-IMJJTQAJSA-N -1 1 390.451 1.429 20 0 GDADMM C[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)c1csc(Cl)c1 ZINC001571298612 946221528 /nfs/dbraw/zinc/22/15/28/946221528.db2.gz BNNWPVVVNZPBFF-WPRPVWTQSA-N -1 1 390.860 1.509 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571298700 946223460 /nfs/dbraw/zinc/22/34/60/946223460.db2.gz JVPPYBCZORZWGM-RBSFLKMASA-N -1 1 390.451 1.897 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571298700 946223474 /nfs/dbraw/zinc/22/34/74/946223474.db2.gz JVPPYBCZORZWGM-RBSFLKMASA-N -1 1 390.451 1.897 20 0 GDADMM O=C([C@@H]1Cc2ccccc21)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571298992 946234579 /nfs/dbraw/zinc/23/45/79/946234579.db2.gz MUESECMFAJVNNN-MRXNPFEDSA-N -1 1 390.451 1.069 20 0 GDADMM O=C(c1ccc(Cl)s1)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571298993 946235043 /nfs/dbraw/zinc/23/50/43/946235043.db2.gz GQZYOUPGNIAYEJ-UHFFFAOYSA-N -1 1 390.860 1.724 20 0 GDADMM O=C(c1ccc(Cl)s1)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571298993 946235053 /nfs/dbraw/zinc/23/50/53/946235053.db2.gz GQZYOUPGNIAYEJ-UHFFFAOYSA-N -1 1 390.860 1.724 20 0 GDADMM O=C(N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1)C1(c2ccccc2)CC1 ZINC001571298955 946235321 /nfs/dbraw/zinc/23/53/21/946235321.db2.gz SBXANIBZDXBJHJ-HNNXBMFYSA-N -1 1 390.451 1.791 20 0 GDADMM O=C(N1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1)C1(c2ccccc2)CC1 ZINC001571298955 946235333 /nfs/dbraw/zinc/23/53/33/946235333.db2.gz SBXANIBZDXBJHJ-HNNXBMFYSA-N -1 1 390.451 1.791 20 0 GDADMM CC(C)[C@@H](F)C(=O)N1CCC(CCN(C)c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571299086 946237002 /nfs/dbraw/zinc/23/70/02/946237002.db2.gz UHYSIZMSUHJEKG-MRXNPFEDSA-N -1 1 390.467 1.716 20 0 GDADMM CC(C)[C@@H](F)C(=O)N1CCC(CCN(C)c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571299086 946237012 /nfs/dbraw/zinc/23/70/12/946237012.db2.gz UHYSIZMSUHJEKG-MRXNPFEDSA-N -1 1 390.467 1.716 20 0 GDADMM CC(=O)N[C@@H](CC(=O)Nc1n[nH]cc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC001573487300 946248740 /nfs/dbraw/zinc/24/87/40/946248740.db2.gz MESRDDSCDQEJOQ-LBPRGKRZSA-N -1 1 376.327 1.074 20 0 GDADMM CC(=O)N[C@@H](CC(=O)Nc1n[nH]cc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC001573487300 946248751 /nfs/dbraw/zinc/24/87/51/946248751.db2.gz MESRDDSCDQEJOQ-LBPRGKRZSA-N -1 1 376.327 1.074 20 0 GDADMM O=C(N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)[C@@H](c1ccccc1)C1CC1 ZINC001571299564 946254897 /nfs/dbraw/zinc/25/48/97/946254897.db2.gz XFTKFYJYHWCZIN-WBVHZDCISA-N -1 1 390.451 1.545 20 0 GDADMM C[C@@]1(NC(=O)c2ccc(C3CC3)cc2)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571299781 946261564 /nfs/dbraw/zinc/26/15/64/946261564.db2.gz URJVQJRGKRNMMJ-HXUWFJFHSA-N -1 1 390.451 1.933 20 0 GDADMM CCc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001571299798 946261927 /nfs/dbraw/zinc/26/19/27/946261927.db2.gz VFEOHCCZIUQIKB-VYDXJSESSA-N -1 1 390.451 1.759 20 0 GDADMM CCc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001571299798 946261937 /nfs/dbraw/zinc/26/19/37/946261937.db2.gz VFEOHCCZIUQIKB-VYDXJSESSA-N -1 1 390.451 1.759 20 0 GDADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1csc(Cl)c1 ZINC001571299883 946263681 /nfs/dbraw/zinc/26/36/81/946263681.db2.gz QFJJWFFOZPIPBK-WCBMZHEXSA-N -1 1 390.860 1.509 20 0 GDADMM Cc1nscc1C(=O)N[C@]1(C)CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571299868 946263917 /nfs/dbraw/zinc/26/39/17/946263917.db2.gz PWJWGGHWGPKHIM-OAHLLOKOSA-N -1 1 390.498 1.795 20 0 GDADMM O=C(Cc1cccnc1)N[C@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571299921 946267238 /nfs/dbraw/zinc/26/72/38/946267238.db2.gz RDWTXJJATMVCOO-JTQLQIEISA-N -1 1 390.860 1.309 20 0 GDADMM Cc1ccccc1C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001571300008 946269035 /nfs/dbraw/zinc/26/90/35/946269035.db2.gz XYAAWARHKPTLHX-SJORKVTESA-N -1 1 390.451 1.849 20 0 GDADMM Cc1ccccc1C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001571300008 946269045 /nfs/dbraw/zinc/26/90/45/946269045.db2.gz XYAAWARHKPTLHX-SJORKVTESA-N -1 1 390.451 1.849 20 0 GDADMM O=C(NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1)c1csc(Cl)c1 ZINC001571300095 946272167 /nfs/dbraw/zinc/27/21/67/946272167.db2.gz USDCNZFLRDTBBF-UHFFFAOYSA-N -1 1 390.860 1.414 20 0 GDADMM CC(=O)N[C@@H]1C[C@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)Oc2ccccc21 ZINC001573493012 946295067 /nfs/dbraw/zinc/29/50/67/946295067.db2.gz FTPBHFBQZZFEIZ-KUHUBIRLSA-N -1 1 392.423 1.266 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCN3c3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001571302709 946312517 /nfs/dbraw/zinc/31/25/17/946312517.db2.gz GFUDTSCYSYNUQH-ZBFHGGJFSA-N -1 1 391.439 1.101 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCN3c3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571302709 946312527 /nfs/dbraw/zinc/31/25/27/946312527.db2.gz GFUDTSCYSYNUQH-ZBFHGGJFSA-N -1 1 391.439 1.101 20 0 GDADMM O=C(c1ccnc(C2CC2)c1)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571302717 946314209 /nfs/dbraw/zinc/31/42/09/946314209.db2.gz GMVJLLYFSUYTFK-CQSZACIVSA-N -1 1 391.439 1.646 20 0 GDADMM O=C(c1ccnc(C2CC2)c1)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571302717 946314223 /nfs/dbraw/zinc/31/42/23/946314223.db2.gz GMVJLLYFSUYTFK-CQSZACIVSA-N -1 1 391.439 1.646 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000823126921 946324665 /nfs/dbraw/zinc/32/46/65/946324665.db2.gz NUOAYELOQJFEKG-GFCCVEGCSA-N -1 1 390.354 1.253 20 0 GDADMM O=C(Cn1cnc2c3ccccc3oc2c1=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000823136284 946325383 /nfs/dbraw/zinc/32/53/83/946325383.db2.gz SVZYEQISWWRBOI-UHFFFAOYSA-N -1 1 394.376 1.418 20 0 GDADMM O=C(Cn1cnc2c3ccccc3oc2c1=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000823136284 946325395 /nfs/dbraw/zinc/32/53/95/946325395.db2.gz SVZYEQISWWRBOI-UHFFFAOYSA-N -1 1 394.376 1.418 20 0 GDADMM Cc1cnccc1C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001571303297 946330958 /nfs/dbraw/zinc/33/09/58/946330958.db2.gz OFZFKVXMFFWYCL-CVEARBPZSA-N -1 1 391.439 1.244 20 0 GDADMM Cc1cnccc1C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001571303297 946330971 /nfs/dbraw/zinc/33/09/71/946330971.db2.gz OFZFKVXMFFWYCL-CVEARBPZSA-N -1 1 391.439 1.244 20 0 GDADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1)c1cccnc1 ZINC001571303951 946352111 /nfs/dbraw/zinc/35/21/11/946352111.db2.gz TWNVCKBCXQJKJX-DCDXPUDHSA-N -1 1 391.439 1.081 20 0 GDADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1)c1cccnc1 ZINC001571303951 946352127 /nfs/dbraw/zinc/35/21/27/946352127.db2.gz TWNVCKBCXQJKJX-DCDXPUDHSA-N -1 1 391.439 1.081 20 0 GDADMM Cc1nnsc1C(=O)N1CCC[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571305560 946367485 /nfs/dbraw/zinc/36/74/85/946367485.db2.gz FEHLAXASNAFIFH-VIFPVBQESA-N -1 1 391.486 1.508 20 0 GDADMM Cc1nnccc1C(=O)N[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571305620 946370971 /nfs/dbraw/zinc/37/09/71/946370971.db2.gz HRDFRVUZGLXYCV-MRVPVSSYSA-N -1 1 391.848 1.084 20 0 GDADMM Cc1nnccc1C(=O)N[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571305620 946370977 /nfs/dbraw/zinc/37/09/77/946370977.db2.gz HRDFRVUZGLXYCV-MRVPVSSYSA-N -1 1 391.848 1.084 20 0 GDADMM COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)NC[C@@H](C)N1CCCC1 ZINC000325584379 971228517 /nfs/dbraw/zinc/22/85/17/971228517.db2.gz AVZZJBZSAUKURX-SNVBAGLBSA-N -1 1 376.862 1.809 20 0 GDADMM Cc1nsc(N2CC[C@@H]3[C@@H]2CCCN3C(=O)CC(C)(C)O)c1-c1nn[n-]n1 ZINC001571306203 946392092 /nfs/dbraw/zinc/39/20/92/946392092.db2.gz QRKTTXGDQINKDR-NWDGAFQWSA-N -1 1 391.501 1.362 20 0 GDADMM Cc1nsc(N2CCC[C@@H](CNC(=O)c3cnsn3)C2)c1-c1nn[n-]n1 ZINC001571306370 946396404 /nfs/dbraw/zinc/39/64/04/946396404.db2.gz UKMZSCPBZNYCBU-VIFPVBQESA-N -1 1 391.486 1.130 20 0 GDADMM O=C(c1scnc1Cl)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571306381 946396684 /nfs/dbraw/zinc/39/66/84/946396684.db2.gz USPAOKKPTXOKQX-MRVPVSSYSA-N -1 1 391.848 1.483 20 0 GDADMM O=C(c1scnc1Cl)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571306381 946396699 /nfs/dbraw/zinc/39/66/99/946396699.db2.gz USPAOKKPTXOKQX-MRVPVSSYSA-N -1 1 391.848 1.483 20 0 GDADMM CC(C)(C[C@H]1CCCN(C(=O)NCc2ccc(-c3nn[n-]n3)s2)C1)C(N)=O ZINC001571306391 946398321 /nfs/dbraw/zinc/39/83/21/946398321.db2.gz VCFZEJUIISZRHZ-LLVKDONJSA-N -1 1 391.501 1.751 20 0 GDADMM Cc1nsc(NC[C@@H]2CC[C@@H](NC(=O)c3cnsn3)C2)c1-c1nn[n-]n1 ZINC001571306507 946402170 /nfs/dbraw/zinc/40/21/70/946402170.db2.gz VWYXSQCHASBAAQ-RKDXNWHRSA-N -1 1 391.486 1.494 20 0 GDADMM CO[C@H](C)C(=O)N1CCC2(CCN(c3snc(C)c3-c3nn[n-]n3)C2)CC1 ZINC001571306686 946408097 /nfs/dbraw/zinc/40/80/97/946408097.db2.gz ZOKDPWUIFCXHAU-GFCCVEGCSA-N -1 1 391.501 1.485 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1NC(=O)C[C@H]1CCCC1(F)F ZINC001571308896 946437196 /nfs/dbraw/zinc/43/71/96/946437196.db2.gz UODKARHVBRDPFU-IJLUTSLNSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1NC(=O)C[C@H]1CCCC1(F)F ZINC001571308896 946437201 /nfs/dbraw/zinc/43/72/01/946437201.db2.gz UODKARHVBRDPFU-IJLUTSLNSA-N -1 1 392.414 1.423 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)[C@H]3CCCCC3(F)F)C2)n1 ZINC001571308846 946438149 /nfs/dbraw/zinc/43/81/49/946438149.db2.gz TXHHSEFLKFPDQQ-NWDGAFQWSA-N -1 1 392.414 1.486 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)[C@H]3CCCCC3(F)F)C2)n1 ZINC001571308846 946438154 /nfs/dbraw/zinc/43/81/54/946438154.db2.gz TXHHSEFLKFPDQQ-NWDGAFQWSA-N -1 1 392.414 1.486 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)CC2CC(F)(F)C2)C1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571309439 946444411 /nfs/dbraw/zinc/44/44/11/946444411.db2.gz ZZTNNCUCRUDYFW-NSHDSACASA-N -1 1 392.414 1.377 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)CC2CC(F)(F)C2)C1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571309439 946444421 /nfs/dbraw/zinc/44/44/21/946444421.db2.gz ZZTNNCUCRUDYFW-NSHDSACASA-N -1 1 392.414 1.377 20 0 GDADMM O=C(C[C@@H]1CCC(F)(F)C1)NC1CC(CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571309448 946444579 /nfs/dbraw/zinc/44/45/79/946444579.db2.gz ADSHHNNMXSCELZ-UNXYVOJBSA-N -1 1 392.414 1.789 20 0 GDADMM O=C(C[C@@H]1CCC(F)(F)C1)NC1CC(CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571309448 946444588 /nfs/dbraw/zinc/44/45/88/946444588.db2.gz ADSHHNNMXSCELZ-UNXYVOJBSA-N -1 1 392.414 1.789 20 0 GDADMM O=C(C[C@@H]1OCc2ccccc21)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571309880 946455607 /nfs/dbraw/zinc/45/56/07/946455607.db2.gz NYEDQJIIHIWVLT-HIFRSBDPSA-N -1 1 392.423 1.331 20 0 GDADMM O=C(C[C@@H]1OCc2ccccc21)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571309880 946455618 /nfs/dbraw/zinc/45/56/18/946455618.db2.gz NYEDQJIIHIWVLT-HIFRSBDPSA-N -1 1 392.423 1.331 20 0 GDADMM CC(C)(CC(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001571310367 946470897 /nfs/dbraw/zinc/47/08/97/946470897.db2.gz CXYAZOPZQAQGRO-HNNXBMFYSA-N -1 1 392.467 1.459 20 0 GDADMM CC(C)Cc1ccccc1C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571311144 946482520 /nfs/dbraw/zinc/48/25/20/946482520.db2.gz RXEQDQRHIRRLLT-HNNXBMFYSA-N -1 1 392.467 1.864 20 0 GDADMM CC(C)Cc1ccccc1C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571311144 946482522 /nfs/dbraw/zinc/48/25/22/946482522.db2.gz RXEQDQRHIRRLLT-HNNXBMFYSA-N -1 1 392.467 1.864 20 0 GDADMM CCc1ccc(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)cc1CC ZINC001571313401 946520858 /nfs/dbraw/zinc/52/08/58/946520858.db2.gz ODBBIFPZQDDSMF-INIZCTEOSA-N -1 1 392.467 1.790 20 0 GDADMM CCc1ccc(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)cc1CC ZINC001571313401 946520863 /nfs/dbraw/zinc/52/08/63/946520863.db2.gz ODBBIFPZQDDSMF-INIZCTEOSA-N -1 1 392.467 1.790 20 0 GDADMM CCc1ccc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)cc1CC ZINC001571313403 946521186 /nfs/dbraw/zinc/52/11/86/946521186.db2.gz ODBBIFPZQDDSMF-MRXNPFEDSA-N -1 1 392.467 1.790 20 0 GDADMM CCc1ccc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)cc1CC ZINC001571313403 946521193 /nfs/dbraw/zinc/52/11/93/946521193.db2.gz ODBBIFPZQDDSMF-MRXNPFEDSA-N -1 1 392.467 1.790 20 0 GDADMM CC(=Cc1ccc(C)cc1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000823942952 946522772 /nfs/dbraw/zinc/52/27/72/946522772.db2.gz LUQSDOAATJKMRZ-ACCUITESSA-N -1 1 380.456 1.975 20 0 GDADMM CC(=Cc1ccc(C)cc1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000823942952 946522780 /nfs/dbraw/zinc/52/27/80/946522780.db2.gz LUQSDOAATJKMRZ-ACCUITESSA-N -1 1 380.456 1.975 20 0 GDADMM Cc1ccccc1[C@@H](C)C(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571316490 946579175 /nfs/dbraw/zinc/57/91/75/946579175.db2.gz DLHBKVATBPEZMZ-HUUCEWRRSA-N -1 1 392.467 1.806 20 0 GDADMM Cc1ccccc1C(C)(C)C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571316852 946590452 /nfs/dbraw/zinc/59/04/52/946590452.db2.gz OCMJEFNMOYDDLT-CQSZACIVSA-N -1 1 392.467 1.638 20 0 GDADMM Cc1ccccc1C(C)(C)C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571316852 946590460 /nfs/dbraw/zinc/59/04/60/946590460.db2.gz OCMJEFNMOYDDLT-CQSZACIVSA-N -1 1 392.467 1.638 20 0 GDADMM Cc1cccc(CC(=O)N2CC[C@@](C)(CNc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571316984 946594490 /nfs/dbraw/zinc/59/44/90/946594490.db2.gz RHAGKZVUKHLQFO-FQEVSTJZSA-N -1 1 392.467 1.280 20 0 GDADMM Cc1cccc(CC(=O)N2C[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)[C@H](C)C2)c1 ZINC001571317261 946603433 /nfs/dbraw/zinc/60/34/33/946603433.db2.gz ZROGBHQGDDDRPS-GDBMZVCRSA-N -1 1 392.467 1.136 20 0 GDADMM O=C(Cc1ccc[nH]1)N[C@H]1CCCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571317291 946607363 /nfs/dbraw/zinc/60/73/63/946607363.db2.gz BFAKBQDNSADQAM-JTQLQIEISA-N -1 1 392.876 1.632 20 0 GDADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1snc(Cl)c1-c1nnn[n-]1)c1cocn1 ZINC001571317718 946618475 /nfs/dbraw/zinc/61/84/75/946618475.db2.gz SMFXXNYDPXXWON-BHNWBGBOSA-N -1 1 392.832 1.504 20 0 GDADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1snc(Cl)c1-c1nn[n-]n1)c1cocn1 ZINC001571317718 946618479 /nfs/dbraw/zinc/61/84/79/946618479.db2.gz SMFXXNYDPXXWON-BHNWBGBOSA-N -1 1 392.832 1.504 20 0 GDADMM C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001573295563 947022938 /nfs/dbraw/zinc/02/29/38/947022938.db2.gz FTZSPOYUWZAWDA-LLVKDONJSA-N -1 1 391.391 1.724 20 0 GDADMM C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001573296608 947050281 /nfs/dbraw/zinc/05/02/81/947050281.db2.gz TWFHLSZSZFFYPM-SNVBAGLBSA-N -1 1 381.421 1.455 20 0 GDADMM C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001573296608 947050296 /nfs/dbraw/zinc/05/02/96/947050296.db2.gz TWFHLSZSZFFYPM-SNVBAGLBSA-N -1 1 381.421 1.455 20 0 GDADMM CC[C@@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccc(OC)cc1 ZINC000825039533 947056385 /nfs/dbraw/zinc/05/63/85/947056385.db2.gz STQVKMMWSGECGB-CQSZACIVSA-N -1 1 398.471 1.765 20 0 GDADMM CC[C@@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccc(OC)cc1 ZINC000825039533 947056398 /nfs/dbraw/zinc/05/63/98/947056398.db2.gz STQVKMMWSGECGB-CQSZACIVSA-N -1 1 398.471 1.765 20 0 GDADMM C=C1c2ccccc2C(=O)N1CCC(=O)Nc1c(-c2nnn[n-]2)c(C)nn1C ZINC001573300968 947125903 /nfs/dbraw/zinc/12/59/03/947125903.db2.gz PWOZNJGBNYZCHP-UHFFFAOYSA-N -1 1 378.396 1.364 20 0 GDADMM C=C1c2ccccc2C(=O)N1CCC(=O)Nc1c(-c2nn[n-]n2)c(C)nn1C ZINC001573300968 947125910 /nfs/dbraw/zinc/12/59/10/947125910.db2.gz PWOZNJGBNYZCHP-UHFFFAOYSA-N -1 1 378.396 1.364 20 0 GDADMM CCOC(=O)c1cnn(Cc2nc(-c3cccc(C)c3)no2)c1-c1nn[n-]n1 ZINC000825570671 947230623 /nfs/dbraw/zinc/23/06/23/947230623.db2.gz MHSMVFHZFPPVJX-UHFFFAOYSA-N -1 1 380.368 1.647 20 0 GDADMM C=C/C(C)=C/CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001573315538 947253539 /nfs/dbraw/zinc/25/35/39/947253539.db2.gz CQOULWFIMXMCPM-KUOZAHAHSA-N -1 1 380.456 1.653 20 0 GDADMM C=C/C(C)=C/CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001573315538 947253550 /nfs/dbraw/zinc/25/35/50/947253550.db2.gz CQOULWFIMXMCPM-KUOZAHAHSA-N -1 1 380.456 1.653 20 0 GDADMM C=C/C(C)=C/CC(=O)NC[C@]1(C)CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573318235 947307109 /nfs/dbraw/zinc/30/71/09/947307109.db2.gz RRBYWCUWWJESEQ-CXPVQLEGSA-N -1 1 382.472 1.902 20 0 GDADMM C=C/C(C)=C/CC(=O)NC[C@]1(C)CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573318235 947307122 /nfs/dbraw/zinc/30/71/22/947307122.db2.gz RRBYWCUWWJESEQ-CXPVQLEGSA-N -1 1 382.472 1.902 20 0 GDADMM C[C@@H](C(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1)c1cccnc1 ZINC001573591494 947313204 /nfs/dbraw/zinc/31/32/04/947313204.db2.gz BXGBPWYLPHZUQO-GFCCVEGCSA-N -1 1 383.481 1.770 20 0 GDADMM C[C@H](C(=O)N(C)[C@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)c1ccco1 ZINC001573592987 947359975 /nfs/dbraw/zinc/35/99/75/947359975.db2.gz HESRCICOLQDDJI-WCQYABFASA-N -1 1 382.428 1.702 20 0 GDADMM C[C@H](C(=O)N(C)[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)c1ccco1 ZINC001573592987 947359986 /nfs/dbraw/zinc/35/99/86/947359986.db2.gz HESRCICOLQDDJI-WCQYABFASA-N -1 1 382.428 1.702 20 0 GDADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCCO1 ZINC001573593686 947377671 /nfs/dbraw/zinc/37/76/71/947377671.db2.gz URSHWXKVLJCZJT-JSGCOSHPSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCCO1 ZINC001573593686 947377687 /nfs/dbraw/zinc/37/76/87/947377687.db2.gz URSHWXKVLJCZJT-JSGCOSHPSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@H](C(=O)N(C)[C@@H](c1ncc[nH]1)c1ccc(F)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001573595229 947416813 /nfs/dbraw/zinc/41/68/13/947416813.db2.gz WSWOMVIIDRJLAY-ZWNOBZJWSA-N -1 1 396.390 1.129 20 0 GDADMM CNC(=O)c1cc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)ccc1Cl ZINC000826068737 947422480 /nfs/dbraw/zinc/42/24/80/947422480.db2.gz YASFGAIRWXEWAX-UHFFFAOYSA-N -1 1 375.776 1.357 20 0 GDADMM CNC(=O)c1cc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)ccc1Cl ZINC000826068737 947422485 /nfs/dbraw/zinc/42/24/85/947422485.db2.gz YASFGAIRWXEWAX-UHFFFAOYSA-N -1 1 375.776 1.357 20 0 GDADMM C[C@H](C(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1)c1ccc(F)cc1F ZINC001573602877 947473619 /nfs/dbraw/zinc/47/36/19/947473619.db2.gz ASGYSKGCEWEGLH-JTQLQIEISA-N -1 1 388.382 1.609 20 0 GDADMM C[C@H](C(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1)c1ccc(F)cc1F ZINC001573602877 947473627 /nfs/dbraw/zinc/47/36/27/947473627.db2.gz ASGYSKGCEWEGLH-JTQLQIEISA-N -1 1 388.382 1.609 20 0 GDADMM COCCOc1ccc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)cc1F ZINC000826162535 947512188 /nfs/dbraw/zinc/51/21/88/947512188.db2.gz HDGMRQUTSXBNTH-UHFFFAOYSA-N -1 1 376.348 1.509 20 0 GDADMM COCCOc1ccc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)cc1F ZINC000826162535 947512192 /nfs/dbraw/zinc/51/21/92/947512192.db2.gz HDGMRQUTSXBNTH-UHFFFAOYSA-N -1 1 376.348 1.509 20 0 GDADMM C[C@H](C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1)c1c(F)cccc1F ZINC001573604741 947516422 /nfs/dbraw/zinc/51/64/22/947516422.db2.gz QRQIMPYSKZIZQR-JTQLQIEISA-N -1 1 388.382 1.609 20 0 GDADMM C[C@H](C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1)c1c(F)cccc1F ZINC001573604741 947516428 /nfs/dbraw/zinc/51/64/28/947516428.db2.gz QRQIMPYSKZIZQR-JTQLQIEISA-N -1 1 388.382 1.609 20 0 GDADMM COc1cc(OC)c(CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)c(OC)c1 ZINC000826180994 947560254 /nfs/dbraw/zinc/56/02/54/947560254.db2.gz HJALZJCGFGZJOA-UHFFFAOYSA-N -1 1 388.384 1.048 20 0 GDADMM COc1cc(OC)c(CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)c(OC)c1 ZINC000826180994 947560259 /nfs/dbraw/zinc/56/02/59/947560259.db2.gz HJALZJCGFGZJOA-UHFFFAOYSA-N -1 1 388.384 1.048 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)C1CCC1 ZINC001573613479 947562627 /nfs/dbraw/zinc/56/26/27/947562627.db2.gz AZPMGZYOBYJRJZ-YUELXQCFSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)C1CCC1 ZINC001573613479 947562632 /nfs/dbraw/zinc/56/26/32/947562632.db2.gz AZPMGZYOBYJRJZ-YUELXQCFSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1)c1ccco1 ZINC001573613595 947566124 /nfs/dbraw/zinc/56/61/24/947566124.db2.gz CZUADZMIQQKKNX-BXUZGUMPSA-N -1 1 382.428 1.702 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C1)c1ccco1 ZINC001573613595 947566135 /nfs/dbraw/zinc/56/61/35/947566135.db2.gz CZUADZMIQQKKNX-BXUZGUMPSA-N -1 1 382.428 1.702 20 0 GDADMM C[C@H](C(=O)N1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1)C(C)(F)F ZINC001573613665 947566798 /nfs/dbraw/zinc/56/67/98/947566798.db2.gz GDDUGOHRQKVHPU-KOLCDFICSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@H](C(=O)N1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C1)C(C)(F)F ZINC001573613665 947566800 /nfs/dbraw/zinc/56/68/00/947566800.db2.gz GDDUGOHRQKVHPU-KOLCDFICSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C(C)(C)C1)C(F)(F)F ZINC001573614301 947581340 /nfs/dbraw/zinc/58/13/40/947581340.db2.gz LOTRFNKJJNCJHP-WCBMZHEXSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C(C)(C)C1)C(F)(F)F ZINC001573614301 947581347 /nfs/dbraw/zinc/58/13/47/947581347.db2.gz LOTRFNKJJNCJHP-WCBMZHEXSA-N -1 1 384.366 1.504 20 0 GDADMM Cc1csc(C(=O)[O-])c1S(=O)(=O)Nc1ccc(C)c(-n2cnnn2)c1 ZINC000327518857 971405620 /nfs/dbraw/zinc/40/56/20/971405620.db2.gz LDJAZEPQLHGUBV-UHFFFAOYSA-N -1 1 379.423 1.840 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001573616280 947620676 /nfs/dbraw/zinc/62/06/76/947620676.db2.gz MNQKODUOMPIDHT-NXEZZACHSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CCNc2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573616280 947620686 /nfs/dbraw/zinc/62/06/86/947620686.db2.gz MNQKODUOMPIDHT-NXEZZACHSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@H](C(=O)N1CCC(C)(Nc2nccnc2-c2nnn[n-]2)CC1)[C@H]1CCCO1 ZINC001573616708 947627032 /nfs/dbraw/zinc/62/70/32/947627032.db2.gz NAXYDUUMBPPAKQ-QWHCGFSZSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H](C(=O)N1CCC(C)(Nc2nccnc2-c2nn[n-]n2)CC1)[C@H]1CCCO1 ZINC001573616708 947627039 /nfs/dbraw/zinc/62/70/39/947627039.db2.gz NAXYDUUMBPPAKQ-QWHCGFSZSA-N -1 1 386.460 1.265 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)C)cc1 ZINC001573354890 947638434 /nfs/dbraw/zinc/63/84/34/947638434.db2.gz JRMGBVHHSIABDM-OAHLLOKOSA-N -1 1 378.440 1.588 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001573355076 947640572 /nfs/dbraw/zinc/64/05/72/947640572.db2.gz LUCXIMHBEIAVMU-OAHLLOKOSA-N -1 1 390.451 1.946 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573355076 947640581 /nfs/dbraw/zinc/64/05/81/947640581.db2.gz LUCXIMHBEIAVMU-OAHLLOKOSA-N -1 1 390.451 1.946 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)cc1 ZINC001573355858 947646138 /nfs/dbraw/zinc/64/61/38/947646138.db2.gz REIHSIWQQVSVEB-OAHLLOKOSA-N -1 1 376.424 1.935 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573355858 947646146 /nfs/dbraw/zinc/64/61/46/947646146.db2.gz REIHSIWQQVSVEB-OAHLLOKOSA-N -1 1 376.424 1.935 20 0 GDADMM C[C@H](C(=O)N1CCC(N(C)c2ccnc(-c3nn[n-]n3)n2)CC1)n1cccc1 ZINC001573619513 947664833 /nfs/dbraw/zinc/66/48/33/947664833.db2.gz VMKIIZBQWGZBGI-CYBMUJFWSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H](C(=O)N1CCC(C)(Nc2ccnc(-c3nn[n-]n3)n2)CC1)C(F)(F)F ZINC001573619873 947671501 /nfs/dbraw/zinc/67/15/01/947671501.db2.gz XDXORDNJVQCELG-VIFPVBQESA-N -1 1 384.366 1.070 20 0 GDADMM C=Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nnn[n-]3)n2)cc1 ZINC001573359100 947678534 /nfs/dbraw/zinc/67/85/34/947678534.db2.gz NMPLKOMHWIZPJH-VYDXJSESSA-N -1 1 388.435 1.839 20 0 GDADMM C=Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nn[n-]n3)n2)cc1 ZINC001573359100 947678540 /nfs/dbraw/zinc/67/85/40/947678540.db2.gz NMPLKOMHWIZPJH-VYDXJSESSA-N -1 1 388.435 1.839 20 0 GDADMM C/C(=C\C(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@@]2(C)C1)C1CC1 ZINC001573364042 947718036 /nfs/dbraw/zinc/71/80/36/947718036.db2.gz PDHZEWFZUJIXGF-HDNPWIPASA-N -1 1 380.456 1.298 20 0 GDADMM C/C(=C\C(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@]2(C)C1)C1CC1 ZINC001573364042 947718045 /nfs/dbraw/zinc/71/80/45/947718045.db2.gz PDHZEWFZUJIXGF-HDNPWIPASA-N -1 1 380.456 1.298 20 0 GDADMM C/C(=C\C(=O)N1CC[C@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1)C1CC1 ZINC001573365573 947731579 /nfs/dbraw/zinc/73/15/79/947731579.db2.gz SZVUWPVXPTXLPZ-QHSLDKKCSA-N -1 1 380.456 1.442 20 0 GDADMM C/C(=C\C(=O)N1CC[C@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1)C1CC1 ZINC001573365573 947731589 /nfs/dbraw/zinc/73/15/89/947731589.db2.gz SZVUWPVXPTXLPZ-QHSLDKKCSA-N -1 1 380.456 1.442 20 0 GDADMM CC(=O)CCCC(=O)N1C[C@H](Nc2snc(C)c2-c2nn[n-]n2)[C@@H](C)C1 ZINC001573367758 947763898 /nfs/dbraw/zinc/76/38/98/947763898.db2.gz HURBPQDRHXJRRW-CABZTGNLSA-N -1 1 377.474 1.650 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1nccnc1-c1nnn[n-]1)C(C)(C)C ZINC001573629177 947773258 /nfs/dbraw/zinc/77/32/58/947773258.db2.gz RAPWYVRADRXKIU-MCIONIFRSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1nccnc1-c1nn[n-]n1)C(C)(C)C ZINC001573629177 947773263 /nfs/dbraw/zinc/77/32/63/947773263.db2.gz RAPWYVRADRXKIU-MCIONIFRSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1)C1CCC1 ZINC001573629815 947784078 /nfs/dbraw/zinc/78/40/78/947784078.db2.gz VWTOXZUFGDBFQT-HIFRSBDPSA-N -1 1 384.488 1.698 20 0 GDADMM C[C@H](C(=O)N1CC[C@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1)C(C)(C)C ZINC001573630776 947795803 /nfs/dbraw/zinc/79/58/03/947795803.db2.gz SCZPHNCXXKVBEP-YJYMSZOUSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](C(=O)N1CC[C@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1)C(C)(C)C ZINC001573630776 947795807 /nfs/dbraw/zinc/79/58/07/947795807.db2.gz SCZPHNCXXKVBEP-YJYMSZOUSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573631464 947802285 /nfs/dbraw/zinc/80/22/85/947802285.db2.gz VIDIIDPWSHOJTE-UKRRQHHQSA-N -1 1 384.488 1.910 20 0 GDADMM CC(=O)CCCC(=O)N[C@@]12CCC[C@@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001573374113 947803430 /nfs/dbraw/zinc/80/34/30/947803430.db2.gz HRPHOVZQXIPPPL-KBXCAEBGSA-N -1 1 384.444 1.034 20 0 GDADMM CC(=O)CCCC(=O)N[C@@]12CCC[C@@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001573374113 947803439 /nfs/dbraw/zinc/80/34/39/947803439.db2.gz HRPHOVZQXIPPPL-KBXCAEBGSA-N -1 1 384.444 1.034 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001573632085 947806749 /nfs/dbraw/zinc/80/67/49/947806749.db2.gz YWKUJOPBCSUEAW-STQMWFEESA-N -1 1 382.428 1.704 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001573632085 947806768 /nfs/dbraw/zinc/80/67/68/947806768.db2.gz YWKUJOPBCSUEAW-STQMWFEESA-N -1 1 382.428 1.704 20 0 GDADMM CC(=O)CCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001573374587 947810415 /nfs/dbraw/zinc/81/04/15/947810415.db2.gz KBZZWSZSYZVPKQ-AGUYFDCRSA-N -1 1 384.444 1.032 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@@H]([C@@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573375608 947820131 /nfs/dbraw/zinc/82/01/31/947820131.db2.gz SIOZCPUFRIHCTC-ZIAGYGMSSA-N -1 1 386.460 1.455 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@@H]([C@@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573375608 947820141 /nfs/dbraw/zinc/82/01/41/947820141.db2.gz SIOZCPUFRIHCTC-ZIAGYGMSSA-N -1 1 386.460 1.455 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(C)cc2OCC(=O)N(C)C)c1-c1nnn[n-]1 ZINC000826290950 947847094 /nfs/dbraw/zinc/84/70/94/947847094.db2.gz IFLBOJRFUBKITF-UHFFFAOYSA-N -1 1 399.411 1.120 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(C)cc2OCC(=O)N(C)C)c1-c1nn[n-]n1 ZINC000826290950 947847097 /nfs/dbraw/zinc/84/70/97/947847097.db2.gz IFLBOJRFUBKITF-UHFFFAOYSA-N -1 1 399.411 1.120 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](C)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)C1CCC1 ZINC001573639938 947847973 /nfs/dbraw/zinc/84/79/73/947847973.db2.gz DIHAXLPZWDKSKQ-IPYPFGDCSA-N -1 1 384.488 1.554 20 0 GDADMM C[C@@H](C(=O)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)c1cccc(F)c1 ZINC001573641287 947857153 /nfs/dbraw/zinc/85/71/53/947857153.db2.gz MBNOHNHKKBZKSL-GFCCVEGCSA-N -1 1 382.403 1.248 20 0 GDADMM CC(=O)CCCC(=O)NC[C@@H](C)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001573381708 947876323 /nfs/dbraw/zinc/87/63/23/947876323.db2.gz YCYIUXKLZPQESM-MRVPVSSYSA-N -1 1 385.881 1.900 20 0 GDADMM CC(=O)CCCC(=O)NC[C@@H](C)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001573381708 947876332 /nfs/dbraw/zinc/87/63/32/947876332.db2.gz YCYIUXKLZPQESM-MRVPVSSYSA-N -1 1 385.881 1.900 20 0 GDADMM C[C@H](C(=O)N1C[C@@H]2CCC[C@]2(CNc2ccc(-c3nnn[n-]3)nn2)C1)C1CC1 ZINC001573647073 947882393 /nfs/dbraw/zinc/88/23/93/947882393.db2.gz BMETZAKRVFSWEC-PJFSTRORSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@H](C(=O)N1C[C@@H]2CCC[C@]2(CNc2ccc(-c3nn[n-]n3)nn2)C1)C1CC1 ZINC001573647073 947882398 /nfs/dbraw/zinc/88/23/98/947882398.db2.gz BMETZAKRVFSWEC-PJFSTRORSA-N -1 1 382.472 1.743 20 0 GDADMM CC(=O)CCCC(=O)NC[C@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001573382439 947882711 /nfs/dbraw/zinc/88/27/11/947882711.db2.gz GNIBTZJEPYHMOA-ZDUSSCGKSA-N -1 1 392.485 1.005 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(CNc2nccnc2-c2nnn[n-]2)C1)C1CC1 ZINC001573647239 947887542 /nfs/dbraw/zinc/88/75/42/947887542.db2.gz FTDULFZKCKQZCG-UHYGZKCKSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(CNc2nccnc2-c2nn[n-]n2)C1)C1CC1 ZINC001573647239 947887556 /nfs/dbraw/zinc/88/75/56/947887556.db2.gz FTDULFZKCKQZCG-UHYGZKCKSA-N -1 1 382.472 1.743 20 0 GDADMM CC(=O)CCCC(=O)NCC1CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573383202 947889501 /nfs/dbraw/zinc/88/95/01/947889501.db2.gz PUPZRALOZJLKHQ-UHFFFAOYSA-N -1 1 391.501 1.724 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](CNc2nccnc2-c2nnn[n-]2)[C@H](C)C1)c1ccco1 ZINC001573647446 947894315 /nfs/dbraw/zinc/89/43/15/947894315.db2.gz LIDRXOZBGWXPHI-FRRDWIJNSA-N -1 1 382.428 1.560 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](CNc2nccnc2-c2nn[n-]n2)[C@H](C)C1)c1ccco1 ZINC001573647446 947894321 /nfs/dbraw/zinc/89/43/21/947894321.db2.gz LIDRXOZBGWXPHI-FRRDWIJNSA-N -1 1 382.428 1.560 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1)C1CCCC1 ZINC001573647508 947897496 /nfs/dbraw/zinc/89/74/96/947897496.db2.gz NDMFLLKOPBVIAA-UMVBOHGHSA-N -1 1 384.488 1.411 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1snc(C)c1-c1nn[n-]n1 ZINC001573384412 947901127 /nfs/dbraw/zinc/90/11/27/947901127.db2.gz MJYSKXJPZOTBRA-AGIUHOORSA-N -1 1 389.485 1.617 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](CNc2nccnc2-c2nnn[n-]2)[C@H](C)C1)C(C)(F)F ZINC001573648360 947905671 /nfs/dbraw/zinc/90/56/71/947905671.db2.gz YXDWBKCAMADFMX-GMTAPVOTSA-N -1 1 380.403 1.454 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](CNc2nccnc2-c2nn[n-]n2)[C@H](C)C1)C(C)(F)F ZINC001573648360 947905679 /nfs/dbraw/zinc/90/56/79/947905679.db2.gz YXDWBKCAMADFMX-GMTAPVOTSA-N -1 1 380.403 1.454 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1)C(C)(F)F ZINC001573650723 947913452 /nfs/dbraw/zinc/91/34/52/947913452.db2.gz DGHYEVDSDUZPIY-TUAOUCFPSA-N -1 1 392.414 1.233 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1)C(C)(F)F ZINC001573650723 947913462 /nfs/dbraw/zinc/91/34/62/947913462.db2.gz DGHYEVDSDUZPIY-TUAOUCFPSA-N -1 1 392.414 1.233 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC1CCC(CO)CC1 ZINC000826328597 947956840 /nfs/dbraw/zinc/95/68/40/947956840.db2.gz WTNNNNYFENIZJS-UHFFFAOYSA-N -1 1 398.471 1.126 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC1CCC(CO)CC1 ZINC000826328597 947956844 /nfs/dbraw/zinc/95/68/44/947956844.db2.gz WTNNNNYFENIZJS-UHFFFAOYSA-N -1 1 398.471 1.126 20 0 GDADMM C[C@H](C(=O)N[C@](C)(CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)C1CCCC1 ZINC001573654219 947963213 /nfs/dbraw/zinc/96/32/13/947963213.db2.gz PPRZNYIRVUGLAL-HXPMCKFVSA-N -1 1 384.488 1.602 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H]1CCCC2(C1)OCCO2 ZINC000826340793 947979431 /nfs/dbraw/zinc/97/94/31/947979431.db2.gz LDLPBRROGXVMDM-CYBMUJFWSA-N -1 1 398.423 1.974 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1CCCC2(C1)OCCO2 ZINC000826340793 947979438 /nfs/dbraw/zinc/97/94/38/947979438.db2.gz LDLPBRROGXVMDM-CYBMUJFWSA-N -1 1 398.423 1.974 20 0 GDADMM Cc1onc(CC(=O)N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1-c1nnn[n-]1 ZINC000826344190 948001886 /nfs/dbraw/zinc/00/18/86/948001886.db2.gz ZSAKMOCAFIXJFL-LLVKDONJSA-N -1 1 391.432 1.173 20 0 GDADMM Cc1onc(CC(=O)N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1-c1nn[n-]n1 ZINC000826344190 948001893 /nfs/dbraw/zinc/00/18/93/948001893.db2.gz ZSAKMOCAFIXJFL-LLVKDONJSA-N -1 1 391.432 1.173 20 0 GDADMM Cc1onc(CC(=O)N2CCO[C@@]3(CCc4ccccc43)C2)c1-c1nnn[n-]1 ZINC000826344562 948009997 /nfs/dbraw/zinc/00/99/97/948009997.db2.gz LDRUPMJQXQIYPI-IBGZPJMESA-N -1 1 380.408 1.406 20 0 GDADMM Cc1onc(CC(=O)N2CCO[C@@]3(CCc4ccccc43)C2)c1-c1nn[n-]n1 ZINC000826344562 948010003 /nfs/dbraw/zinc/01/00/03/948010003.db2.gz LDRUPMJQXQIYPI-IBGZPJMESA-N -1 1 380.408 1.406 20 0 GDADMM Cc1onc(CC(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)c1-c1nnn[n-]1 ZINC000826345303 948021206 /nfs/dbraw/zinc/02/12/06/948021206.db2.gz ILKFEFGSUBGXSN-SNVBAGLBSA-N -1 1 395.423 1.932 20 0 GDADMM Cc1onc(CC(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)c1-c1nn[n-]n1 ZINC000826345303 948021210 /nfs/dbraw/zinc/02/12/10/948021210.db2.gz ILKFEFGSUBGXSN-SNVBAGLBSA-N -1 1 395.423 1.932 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2)C1CCC1 ZINC001573662769 948027631 /nfs/dbraw/zinc/02/76/31/948027631.db2.gz FVDUYWMDYKTYLH-IUODEOHRSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2)C1CCC1 ZINC001573662769 948027640 /nfs/dbraw/zinc/02/76/40/948027640.db2.gz FVDUYWMDYKTYLH-IUODEOHRSA-N -1 1 382.472 1.568 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](C)c2ccccc2-n2cccn2)c1-c1nnn[n-]1 ZINC000826345827 948030062 /nfs/dbraw/zinc/03/00/62/948030062.db2.gz VHCPRFWFKORRSR-NSHDSACASA-N -1 1 378.396 1.769 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](C)c2ccccc2-n2cccn2)c1-c1nn[n-]n1 ZINC000826345827 948030069 /nfs/dbraw/zinc/03/00/69/948030069.db2.gz VHCPRFWFKORRSR-NSHDSACASA-N -1 1 378.396 1.769 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2)C(C)(F)F ZINC001573662834 948031101 /nfs/dbraw/zinc/03/11/01/948031101.db2.gz HFOYGTTZMDRMGU-PWSUYJOCSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2)C(C)(F)F ZINC001573662834 948031108 /nfs/dbraw/zinc/03/11/08/948031108.db2.gz HFOYGTTZMDRMGU-PWSUYJOCSA-N -1 1 392.414 1.423 20 0 GDADMM Cc1onc(CC(=O)NCc2ccccc2CN2CCCC2=O)c1-c1nnn[n-]1 ZINC000826347809 948060143 /nfs/dbraw/zinc/06/01/43/948060143.db2.gz HCJNUFIDCGAJEH-UHFFFAOYSA-N -1 1 395.423 1.144 20 0 GDADMM Cc1onc(CC(=O)NCc2ccccc2CN2CCCC2=O)c1-c1nn[n-]n1 ZINC000826347809 948060153 /nfs/dbraw/zinc/06/01/53/948060153.db2.gz HCJNUFIDCGAJEH-UHFFFAOYSA-N -1 1 395.423 1.144 20 0 GDADMM Cc1onc(CC(=O)NCc2ccc(OC3CCCC3)nc2)c1-c1nnn[n-]1 ZINC000826348061 948065843 /nfs/dbraw/zinc/06/58/43/948065843.db2.gz RXMIOXBDAKVLIS-UHFFFAOYSA-N -1 1 383.412 1.738 20 0 GDADMM Cc1onc(CC(=O)NCc2ccc(OC3CCCC3)nc2)c1-c1nn[n-]n1 ZINC000826348061 948065854 /nfs/dbraw/zinc/06/58/54/948065854.db2.gz RXMIOXBDAKVLIS-UHFFFAOYSA-N -1 1 383.412 1.738 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)c1cccs1 ZINC001573665450 948071774 /nfs/dbraw/zinc/07/17/74/948071774.db2.gz KWQRTXNGUWQARJ-RYUDHWBXSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)c1cccs1 ZINC001573665450 948071782 /nfs/dbraw/zinc/07/17/82/948071782.db2.gz KWQRTXNGUWQARJ-RYUDHWBXSA-N -1 1 384.469 1.607 20 0 GDADMM CC(=O)N(c1ccc(Nc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)cc1)[C@@H]1C[C@@H]1C ZINC001573414126 948089625 /nfs/dbraw/zinc/08/96/25/948089625.db2.gz HLZBCCQULPNXLC-TVQRCGJNSA-N -1 1 396.411 1.171 20 0 GDADMM C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)C(C)(C)C ZINC001573666610 948090216 /nfs/dbraw/zinc/09/02/16/948090216.db2.gz UOXVCMQFPGLXEZ-FUDCBSFHSA-N -1 1 384.488 1.955 20 0 GDADMM C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)C(C)(C)C ZINC001573666610 948090226 /nfs/dbraw/zinc/09/02/26/948090226.db2.gz UOXVCMQFPGLXEZ-FUDCBSFHSA-N -1 1 384.488 1.955 20 0 GDADMM Cc1onc(CC(=O)Nc2ccccc2SCCC(N)=O)c1-c1nnn[n-]1 ZINC000826349167 948091449 /nfs/dbraw/zinc/09/14/49/948091449.db2.gz XMEHBDXNUKJFAB-UHFFFAOYSA-N -1 1 387.425 1.312 20 0 GDADMM Cc1onc(CC(=O)Nc2ccccc2SCCC(N)=O)c1-c1nn[n-]n1 ZINC000826349167 948091460 /nfs/dbraw/zinc/09/14/60/948091460.db2.gz XMEHBDXNUKJFAB-UHFFFAOYSA-N -1 1 387.425 1.312 20 0 GDADMM C[C@@H](C(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1)c1cccs1 ZINC001573670320 948102528 /nfs/dbraw/zinc/10/25/28/948102528.db2.gz AQQMGKGJPUHPQV-LLVKDONJSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1)c1cccs1 ZINC001573670320 948102533 /nfs/dbraw/zinc/10/25/33/948102533.db2.gz AQQMGKGJPUHPQV-LLVKDONJSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1F ZINC001573674531 948118499 /nfs/dbraw/zinc/11/84/99/948118499.db2.gz NUPIWNXTUVZKHS-RYUDHWBXSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1F ZINC001573674531 948118507 /nfs/dbraw/zinc/11/85/07/948118507.db2.gz NUPIWNXTUVZKHS-RYUDHWBXSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C)C(C)(F)F ZINC001573677306 948134903 /nfs/dbraw/zinc/13/49/03/948134903.db2.gz CFCKIOYIEJEZAA-GXSJLCMTSA-N -1 1 380.403 1.279 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C)C(C)(F)F ZINC001573677306 948134906 /nfs/dbraw/zinc/13/49/06/948134906.db2.gz CFCKIOYIEJEZAA-GXSJLCMTSA-N -1 1 380.403 1.279 20 0 GDADMM C[C@H](CNC(=O)[C@@H](C)c1ccccc1F)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001573679644 948166416 /nfs/dbraw/zinc/16/64/16/948166416.db2.gz MLECWUHJUDEQTB-NEPJUHHUSA-N -1 1 384.419 1.540 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCCC1)C(C)(F)F ZINC001573690725 948227706 /nfs/dbraw/zinc/22/77/06/948227706.db2.gz AHUJAQOUTRKDBV-JTQLQIEISA-N -1 1 380.403 1.789 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCCC1)C(C)(F)F ZINC001573690725 948227714 /nfs/dbraw/zinc/22/77/14/948227714.db2.gz AHUJAQOUTRKDBV-JTQLQIEISA-N -1 1 380.403 1.789 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCC1)c1cccnc1 ZINC001573695321 948305772 /nfs/dbraw/zinc/30/57/72/948305772.db2.gz GLMHQJLUNVJCJA-GFCCVEGCSA-N -1 1 379.428 1.306 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCC1)c1cccnc1 ZINC001573695321 948305779 /nfs/dbraw/zinc/30/57/79/948305779.db2.gz GLMHQJLUNVJCJA-GFCCVEGCSA-N -1 1 379.428 1.306 20 0 GDADMM COc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccc(Cl)c(C(N)=O)c1 ZINC000328421429 971472109 /nfs/dbraw/zinc/47/21/09/971472109.db2.gz DKJFYTDPASOJGD-UHFFFAOYSA-N -1 1 384.797 1.947 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCC(C)(C)CN1c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573702918 948352210 /nfs/dbraw/zinc/35/22/10/948352210.db2.gz HNMIGZFECQVYQN-TZMCWYRMSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573703192 948352992 /nfs/dbraw/zinc/35/29/92/948352992.db2.gz IVJLJXCAPPIOMP-KGLIPLIRSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001573703685 948360054 /nfs/dbraw/zinc/36/00/54/948360054.db2.gz MCYKHBSZSISSIG-CHWSQXEVSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001573703685 948360059 /nfs/dbraw/zinc/36/00/59/948360059.db2.gz MCYKHBSZSISSIG-CHWSQXEVSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)C1CCCC1 ZINC001573704660 948378126 /nfs/dbraw/zinc/37/81/26/948378126.db2.gz UMGLNVPYQWBYHG-KBPBESRZSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)C1CCCC1 ZINC001573704660 948378132 /nfs/dbraw/zinc/37/81/32/948378132.db2.gz UMGLNVPYQWBYHG-KBPBESRZSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NCCC1(CNc2nccnc2-c2nnn[n-]2)CC1)c1ccco1 ZINC001573704936 948387377 /nfs/dbraw/zinc/38/73/77/948387377.db2.gz BWWOZTUPYBWNLG-GFCCVEGCSA-N -1 1 382.428 1.752 20 0 GDADMM C[C@@H](C(=O)NCCC1(CNc2nccnc2-c2nn[n-]n2)CC1)c1ccco1 ZINC001573704936 948387384 /nfs/dbraw/zinc/38/73/84/948387384.db2.gz BWWOZTUPYBWNLG-GFCCVEGCSA-N -1 1 382.428 1.752 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1)C(C)(C)C ZINC001573705322 948397359 /nfs/dbraw/zinc/39/73/59/948397359.db2.gz DVSXHJWLNBDYTL-QWHCGFSZSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1)C(C)(C)C ZINC001573705322 948397368 /nfs/dbraw/zinc/39/73/68/948397368.db2.gz DVSXHJWLNBDYTL-QWHCGFSZSA-N -1 1 388.476 1.050 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CC[C@@H](Cc2ccncc2)C1 ZINC000826495746 948409859 /nfs/dbraw/zinc/40/98/59/948409859.db2.gz ADACUJKVNMEJKF-ZDUSSCGKSA-N -1 1 388.428 1.654 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CC[C@@H](Cc2ccncc2)C1 ZINC000826495746 948409861 /nfs/dbraw/zinc/40/98/61/948409861.db2.gz ADACUJKVNMEJKF-ZDUSSCGKSA-N -1 1 388.428 1.654 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cccs1 ZINC001573708209 948444573 /nfs/dbraw/zinc/44/45/73/948444573.db2.gz SIRQHLMQXDVBGD-RYUDHWBXSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cccs1 ZINC001573708209 948444581 /nfs/dbraw/zinc/44/45/81/948444581.db2.gz SIRQHLMQXDVBGD-RYUDHWBXSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@@H](C(=O)NCC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)C(C)(F)F ZINC001573714027 948468773 /nfs/dbraw/zinc/46/87/73/948468773.db2.gz CQRFVQJEUQJWJJ-WDEREUQCSA-N -1 1 380.403 1.281 20 0 GDADMM C[C@@H](C(=O)NCC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573714027 948468779 /nfs/dbraw/zinc/46/87/79/948468779.db2.gz CQRFVQJEUQJWJJ-WDEREUQCSA-N -1 1 380.403 1.281 20 0 GDADMM C[C@@H](C(=O)NCC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C)C(C)(F)F ZINC001573716584 948501058 /nfs/dbraw/zinc/50/10/58/948501058.db2.gz IJHZCPDQSHCPFK-GRYCIOLGSA-N -1 1 394.430 1.527 20 0 GDADMM C[C@@H](C(=O)NCC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C)C(C)(F)F ZINC001573716584 948501062 /nfs/dbraw/zinc/50/10/62/948501062.db2.gz IJHZCPDQSHCPFK-GRYCIOLGSA-N -1 1 394.430 1.527 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1nc(-c2nn[n-]n2)c(Cl)s1)C(F)(F)F ZINC001573716971 948502051 /nfs/dbraw/zinc/50/20/51/948502051.db2.gz AACCMRQUBHXAMB-YFKPBYRVSA-N -1 1 383.787 1.727 20 0 GDADMM C[C@@H](C(=O)NCC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C)n1cccc1 ZINC001573716926 948503122 /nfs/dbraw/zinc/50/31/22/948503122.db2.gz KCLGCWFIXIKQQP-QLFBSQMISA-N -1 1 395.471 1.298 20 0 GDADMM C[C@@H](C(=O)NCC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C)n1cccc1 ZINC001573716926 948503130 /nfs/dbraw/zinc/50/31/30/948503130.db2.gz KCLGCWFIXIKQQP-QLFBSQMISA-N -1 1 395.471 1.298 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1cncc(-c2nnn[n-]2)n1)c1ccc(Cl)cc1 ZINC001573718716 948519979 /nfs/dbraw/zinc/51/99/79/948519979.db2.gz JLEIYHUURZAYEF-NSHDSACASA-N -1 1 386.847 1.666 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1cncc(-c2nn[n-]n2)n1)c1ccc(Cl)cc1 ZINC001573718716 948519984 /nfs/dbraw/zinc/51/99/84/948519984.db2.gz JLEIYHUURZAYEF-NSHDSACASA-N -1 1 386.847 1.666 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1nc(Cl)c(-c2nnn[n-]2)s1)C(F)(F)F ZINC001573720344 948531885 /nfs/dbraw/zinc/53/18/85/948531885.db2.gz QPPAHSFRLDOHNO-YFKPBYRVSA-N -1 1 383.787 1.727 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1nc(Cl)c(-c2nn[n-]n2)s1)C(F)(F)F ZINC001573720344 948531894 /nfs/dbraw/zinc/53/18/94/948531894.db2.gz QPPAHSFRLDOHNO-YFKPBYRVSA-N -1 1 383.787 1.727 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573727390 948554441 /nfs/dbraw/zinc/55/44/41/948554441.db2.gz MXOLQWRIJRHYRG-RJZRQDKASA-N -1 1 382.472 1.566 20 0 GDADMM C[C@@H](C(=O)N[C@@H](C)C1CCN(c2nccnc2-c2nnn[n-]2)CC1)C1CCC1 ZINC001573730669 948584113 /nfs/dbraw/zinc/58/41/13/948584113.db2.gz BCZXADTVFPNDFQ-OLZOCXBDSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)N[C@@H](C)C1CCN(c2nccnc2-c2nn[n-]n2)CC1)C1CCC1 ZINC001573730669 948584116 /nfs/dbraw/zinc/58/41/16/948584116.db2.gz BCZXADTVFPNDFQ-OLZOCXBDSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)N[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1)c1ccc(F)c(F)c1 ZINC001573731180 948588927 /nfs/dbraw/zinc/58/89/27/948588927.db2.gz FAZNZQDTTDZXME-VHSXEESVSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@@H](C(=O)N[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1)c1ccc(F)c(F)c1 ZINC001573731180 948588933 /nfs/dbraw/zinc/58/89/33/948588933.db2.gz FAZNZQDTTDZXME-VHSXEESVSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@@H](NC(=O)[C@@H](C)C1CCC1)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573739566 948620777 /nfs/dbraw/zinc/62/07/77/948620777.db2.gz FRAUHLGUCMMLSI-QWHCGFSZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C)c1ccsc1 ZINC001573739545 948621070 /nfs/dbraw/zinc/62/10/70/948621070.db2.gz FBCGFBYYJHQYGJ-JTNHKYCSSA-N -1 1 384.469 1.463 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C)c1ccsc1 ZINC001573739545 948621075 /nfs/dbraw/zinc/62/10/75/948621075.db2.gz FBCGFBYYJHQYGJ-JTNHKYCSSA-N -1 1 384.469 1.463 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC001573740286 948631388 /nfs/dbraw/zinc/63/13/88/948631388.db2.gz MZFHVERNTCRIJV-OXHZDVMGSA-N -1 1 380.412 1.279 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC001573740286 948631391 /nfs/dbraw/zinc/63/13/91/948631391.db2.gz MZFHVERNTCRIJV-OXHZDVMGSA-N -1 1 380.412 1.279 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001573753903 948723715 /nfs/dbraw/zinc/72/37/15/948723715.db2.gz YDOZVLHGXPZIEK-DKIAZLNASA-N -1 1 382.350 1.081 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001573753903 948723722 /nfs/dbraw/zinc/72/37/22/948723722.db2.gz YDOZVLHGXPZIEK-DKIAZLNASA-N -1 1 382.350 1.081 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@H](C)[C@H](C)Nc2nccnc2-c2nnn[n-]2)cn1 ZINC001574416357 948746867 /nfs/dbraw/zinc/74/68/67/948746867.db2.gz RWGOYGOZPOYTQJ-NWDGAFQWSA-N -1 1 381.444 1.794 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@H](C)[C@H](C)Nc2nccnc2-c2nn[n-]n2)cn1 ZINC001574416357 948746878 /nfs/dbraw/zinc/74/68/78/948746878.db2.gz RWGOYGOZPOYTQJ-NWDGAFQWSA-N -1 1 381.444 1.794 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)COc1ccc(F)cc1 ZINC001574678308 948746968 /nfs/dbraw/zinc/74/69/68/948746968.db2.gz CNVCACSEFROCOY-LLVKDONJSA-N -1 1 386.391 1.182 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)COc1ccc(F)cc1 ZINC001574678308 948746978 /nfs/dbraw/zinc/74/69/78/948746978.db2.gz CNVCACSEFROCOY-LLVKDONJSA-N -1 1 386.391 1.182 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H](F)Cc1ccccc1 ZINC001574678337 948747148 /nfs/dbraw/zinc/74/71/48/948747148.db2.gz DCNYFLBDOYXYQX-TZMCWYRMSA-N -1 1 384.419 1.544 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H](F)Cc1ccccc1 ZINC001574678337 948747157 /nfs/dbraw/zinc/74/71/57/948747157.db2.gz DCNYFLBDOYXYQX-TZMCWYRMSA-N -1 1 384.419 1.544 20 0 GDADMM C[C@@H](CNC(=O)CCc1ccc(Cl)s1)Nc1nccnc1-c1nnn[n-]1 ZINC001574914423 948748899 /nfs/dbraw/zinc/74/88/99/948748899.db2.gz JCHPIIUBULAWOJ-VIFPVBQESA-N -1 1 392.876 1.921 20 0 GDADMM C[C@@H](CNC(=O)CCc1ccc(Cl)s1)Nc1nccnc1-c1nn[n-]n1 ZINC001574914423 948748907 /nfs/dbraw/zinc/74/89/07/948748907.db2.gz JCHPIIUBULAWOJ-VIFPVBQESA-N -1 1 392.876 1.921 20 0 GDADMM C[C@H](CNC(=O)CCc1ccc(Cl)cc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574914622 948750403 /nfs/dbraw/zinc/75/04/03/948750403.db2.gz LLUYXIIGWJPJMV-LLVKDONJSA-N -1 1 386.847 1.860 20 0 GDADMM C[C@H](CNC(=O)CCc1ccc(Cl)cc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574914622 948750420 /nfs/dbraw/zinc/75/04/20/948750420.db2.gz LLUYXIIGWJPJMV-LLVKDONJSA-N -1 1 386.847 1.860 20 0 GDADMM C[C@@H](C(=O)Nc1ccc(Br)c(-c2nnn[n-]2)n1)c1cnn(C)c1 ZINC001573755123 948754216 /nfs/dbraw/zinc/75/42/16/948754216.db2.gz APSADIBSWGOJMQ-SSDOTTSWSA-N -1 1 377.206 1.500 20 0 GDADMM C[C@@H](C(=O)Nc1ccc(Br)c(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001573755123 948754225 /nfs/dbraw/zinc/75/42/25/948754225.db2.gz APSADIBSWGOJMQ-SSDOTTSWSA-N -1 1 377.206 1.500 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001574678754 948754907 /nfs/dbraw/zinc/75/49/07/948754907.db2.gz ISEHGIBZXMOEOE-KGYLQXTDSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001574678754 948754915 /nfs/dbraw/zinc/75/49/15/948754915.db2.gz ISEHGIBZXMOEOE-KGYLQXTDSA-N -1 1 384.469 1.829 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CC1 ZINC001575222140 948755419 /nfs/dbraw/zinc/75/54/19/948755419.db2.gz FLYLIRRYJYIJIE-LLVKDONJSA-N -1 1 392.414 1.567 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CC1 ZINC001575222140 948755432 /nfs/dbraw/zinc/75/54/32/948755432.db2.gz FLYLIRRYJYIJIE-LLVKDONJSA-N -1 1 392.414 1.567 20 0 GDADMM C[C@H](C(=O)Nc1ccc2cc(N(C)C)ccc2c1)n1cnc(-c2nn[n-]n2)n1 ZINC001573755157 948757584 /nfs/dbraw/zinc/75/75/84/948757584.db2.gz BKRRQUNFFACKKY-LLVKDONJSA-N -1 1 377.412 1.877 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cscc1Cl ZINC001574678762 948759142 /nfs/dbraw/zinc/75/91/42/948759142.db2.gz IVYYAVFFSVTHIE-QMMMGPOBSA-N -1 1 378.849 1.992 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cscc1Cl ZINC001574678762 948759153 /nfs/dbraw/zinc/75/91/53/948759153.db2.gz IVYYAVFFSVTHIE-QMMMGPOBSA-N -1 1 378.849 1.992 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@H](C)[C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)n1 ZINC001574418221 948777451 /nfs/dbraw/zinc/77/74/51/948777451.db2.gz VRKXBDHRHGATIO-VXGBXAGGSA-N -1 1 381.444 1.216 20 0 GDADMM C[C@@H](C(=O)N[C@]12CCC[C@H]1CN(c1cnc(-c3nnn[n-]3)cn1)C2)C(C)(F)F ZINC001573755763 948783737 /nfs/dbraw/zinc/78/37/37/948783737.db2.gz HTFGPUHQRFMCQJ-DINDLPBHSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@@H](C(=O)N[C@]12CCC[C@H]1CN(c1cnc(-c3nn[n-]n3)cn1)C2)C(C)(F)F ZINC001573755763 948783753 /nfs/dbraw/zinc/78/37/53/948783753.db2.gz HTFGPUHQRFMCQJ-DINDLPBHSA-N -1 1 392.414 1.423 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001574419379 948784249 /nfs/dbraw/zinc/78/42/49/948784249.db2.gz DXRGJAQKDLJYTA-HAQNSBGRSA-N -1 1 379.428 1.548 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001574419379 948784256 /nfs/dbraw/zinc/78/42/56/948784256.db2.gz DXRGJAQKDLJYTA-HAQNSBGRSA-N -1 1 379.428 1.548 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@@H]2[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]32)n1 ZINC001574419845 948789369 /nfs/dbraw/zinc/78/93/69/948789369.db2.gz KKQOTNSYFQEYKU-JYAVWHMHSA-N -1 1 391.439 1.040 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@@H]2[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]32)n1 ZINC001574419845 948789381 /nfs/dbraw/zinc/78/93/81/948789381.db2.gz KKQOTNSYFQEYKU-JYAVWHMHSA-N -1 1 391.439 1.040 20 0 GDADMM CC(C)c1nc(C(=O)N[C@@H](C)CCNc2cnc(-c3nnn[n-]3)cn2)cs1 ZINC001574679642 948791451 /nfs/dbraw/zinc/79/14/51/948791451.db2.gz ZNBWCTKYHNAFPP-JTQLQIEISA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)c1nc(C(=O)N[C@@H](C)CCNc2cnc(-c3nn[n-]n3)cn2)cs1 ZINC001574679642 948791460 /nfs/dbraw/zinc/79/14/60/948791460.db2.gz ZNBWCTKYHNAFPP-JTQLQIEISA-N -1 1 387.473 1.857 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575224820 948794452 /nfs/dbraw/zinc/79/44/52/948794452.db2.gz ZKXDUEHVNOKWIL-SNVBAGLBSA-N -1 1 378.387 1.495 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575224820 948794459 /nfs/dbraw/zinc/79/44/59/948794459.db2.gz ZKXDUEHVNOKWIL-SNVBAGLBSA-N -1 1 378.387 1.495 20 0 GDADMM CC(C)c1cc(C(=O)N[C@H](C)CCNc2cncc(-c3nnn[n-]3)n2)nn1C ZINC001574679916 948796737 /nfs/dbraw/zinc/79/67/37/948796737.db2.gz BPGVSZMPIDRDEH-LLVKDONJSA-N -1 1 384.448 1.134 20 0 GDADMM CC(C)c1cc(C(=O)N[C@H](C)CCNc2cncc(-c3nn[n-]n3)n2)nn1C ZINC001574679916 948796746 /nfs/dbraw/zinc/79/67/46/948796746.db2.gz BPGVSZMPIDRDEH-LLVKDONJSA-N -1 1 384.448 1.134 20 0 GDADMM C[C@H](CNC(=O)CCc1ccncc1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574917095 948805527 /nfs/dbraw/zinc/80/55/27/948805527.db2.gz QRNJVTTUILQNGB-SECBINFHSA-N -1 1 392.876 1.921 20 0 GDADMM CC(F)(F)CC(=O)N1C[C@@H]2CCC[C@H](Nc3nccnc3-c3nnn[n-]3)[C@H]2C1 ZINC001575225942 948808677 /nfs/dbraw/zinc/80/86/77/948808677.db2.gz GVBAHMRCKQYOSU-SRVKXCTJSA-N -1 1 392.414 1.741 20 0 GDADMM CC(F)(F)CC(=O)N1C[C@@H]2CCC[C@H](Nc3nccnc3-c3nn[n-]n3)[C@H]2C1 ZINC001575225942 948808687 /nfs/dbraw/zinc/80/86/87/948808687.db2.gz GVBAHMRCKQYOSU-SRVKXCTJSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccc(C(F)F)o1 ZINC001574680527 948809374 /nfs/dbraw/zinc/80/93/74/948809374.db2.gz HZTNCDSFKOPJGH-QMMMGPOBSA-N -1 1 378.343 1.808 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccc(C(F)F)o1 ZINC001574680527 948809384 /nfs/dbraw/zinc/80/93/84/948809384.db2.gz HZTNCDSFKOPJGH-QMMMGPOBSA-N -1 1 378.343 1.808 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001574680917 948814341 /nfs/dbraw/zinc/81/43/41/948814341.db2.gz KCKZCUOKIKGEAZ-KGYLQXTDSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001574680917 948814366 /nfs/dbraw/zinc/81/43/66/948814366.db2.gz KCKZCUOKIKGEAZ-KGYLQXTDSA-N -1 1 384.469 1.829 20 0 GDADMM CC(C)[C@@H](F)C(=O)NCC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001574081073 948814684 /nfs/dbraw/zinc/81/46/84/948814684.db2.gz PFTLYJVVTUCGBT-LALPHHSUSA-N -1 1 376.440 1.229 20 0 GDADMM CC(C)[C@@H](F)C(=O)NCC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001574081073 948814703 /nfs/dbraw/zinc/81/47/03/948814703.db2.gz PFTLYJVVTUCGBT-LALPHHSUSA-N -1 1 376.440 1.229 20 0 GDADMM C[C@@H](C(=O)N[C@]12CCC[C@H]1CN(c1cncc(-c3nnn[n-]3)n1)C2)C(C)(F)F ZINC001573756506 948821593 /nfs/dbraw/zinc/82/15/93/948821593.db2.gz SRHAYDCZMUBXPC-DINDLPBHSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@@H](C(=O)N[C@]12CCC[C@H]1CN(c1cncc(-c3nn[n-]n3)n1)C2)C(C)(F)F ZINC001573756506 948821611 /nfs/dbraw/zinc/82/16/11/948821611.db2.gz SRHAYDCZMUBXPC-DINDLPBHSA-N -1 1 392.414 1.423 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001575227007 948824323 /nfs/dbraw/zinc/82/43/23/948824323.db2.gz RASJARHSTAFHSS-MRXNPFEDSA-N -1 1 378.387 1.131 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001575227007 948824344 /nfs/dbraw/zinc/82/43/44/948824344.db2.gz RASJARHSTAFHSS-MRXNPFEDSA-N -1 1 378.387 1.131 20 0 GDADMM C[C@@H](CNC(=O)CCCc1ccc(F)cc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574917795 948827405 /nfs/dbraw/zinc/82/74/05/948827405.db2.gz BTHTVXOXCXAPAP-LBPRGKRZSA-N -1 1 384.419 1.735 20 0 GDADMM C[C@@H](CNC(=O)CCCc1ccc(F)cc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574917795 948827421 /nfs/dbraw/zinc/82/74/21/948827421.db2.gz BTHTVXOXCXAPAP-LBPRGKRZSA-N -1 1 384.419 1.735 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001575227367 948829257 /nfs/dbraw/zinc/82/92/57/948829257.db2.gz VCXFFEPRYZSHFB-MNOVXSKESA-N -1 1 378.387 1.272 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001575227367 948829279 /nfs/dbraw/zinc/82/92/79/948829279.db2.gz VCXFFEPRYZSHFB-MNOVXSKESA-N -1 1 378.387 1.272 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CC[C@@H]21 ZINC001575227650 948832238 /nfs/dbraw/zinc/83/22/38/948832238.db2.gz XSRPZUMPFULHMG-AAEUAGOBSA-N -1 1 392.414 1.519 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CC[C@@H]21 ZINC001575227650 948832250 /nfs/dbraw/zinc/83/22/50/948832250.db2.gz XSRPZUMPFULHMG-AAEUAGOBSA-N -1 1 392.414 1.519 20 0 GDADMM CC(C)[C@@H](O)CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC001574082197 948851867 /nfs/dbraw/zinc/85/18/67/948851867.db2.gz BWFYUKRKRXPQAF-NSHDSACASA-N -1 1 393.391 1.571 20 0 GDADMM CC(C)(C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573763150 948863007 /nfs/dbraw/zinc/86/30/07/948863007.db2.gz BZINEFGKBJTTPV-SECBINFHSA-N -1 1 384.366 1.070 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C ZINC001575231910 948871521 /nfs/dbraw/zinc/87/15/21/948871521.db2.gz AMRSDKRVLHXSEG-LLVKDONJSA-N -1 1 380.403 1.423 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C ZINC001575231910 948871539 /nfs/dbraw/zinc/87/15/39/948871539.db2.gz AMRSDKRVLHXSEG-LLVKDONJSA-N -1 1 380.403 1.423 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1)c1ccccc1 ZINC001573764282 948883968 /nfs/dbraw/zinc/88/39/68/948883968.db2.gz LMTIEBULIFZMAB-AWEZNQCLSA-N -1 1 392.467 1.895 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1)c1ccccc1 ZINC001573764282 948883988 /nfs/dbraw/zinc/88/39/88/948883988.db2.gz LMTIEBULIFZMAB-AWEZNQCLSA-N -1 1 392.467 1.895 20 0 GDADMM CC(C)c1nc([C@@H]2CCCCN2C(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)no1 ZINC001574426637 948891811 /nfs/dbraw/zinc/89/18/11/948891811.db2.gz UNXPCRAGQLETCZ-MNOVXSKESA-N -1 1 386.420 1.279 20 0 GDADMM CC(F)(F)CCC(=O)N1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C(C)(C)C1 ZINC001575234341 948897894 /nfs/dbraw/zinc/89/78/94/948897894.db2.gz BBZUZYBHHWSINC-NSHDSACASA-N -1 1 380.403 1.741 20 0 GDADMM CC(F)(F)CCC(=O)N1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC001575234341 948897919 /nfs/dbraw/zinc/89/79/19/948897919.db2.gz BBZUZYBHHWSINC-NSHDSACASA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)[C@]1(C)C[C@H]1C(=O)NC1(C)CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574088183 948913020 /nfs/dbraw/zinc/91/30/20/948913020.db2.gz DDQYQJYXRGOADV-DJJJIMSYSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)[C@]1(C)C[C@H]1C(=O)NC1(C)CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574088183 948913031 /nfs/dbraw/zinc/91/30/31/948913031.db2.gz DDQYQJYXRGOADV-DJJJIMSYSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)c1ccnnc1 ZINC001574685663 948914199 /nfs/dbraw/zinc/91/41/99/948914199.db2.gz YOOBERUTMQIALL-ZETCQYMHSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)c1cccnn1 ZINC001574685680 948915172 /nfs/dbraw/zinc/91/51/72/948915172.db2.gz ZAYOKSPQOARGCF-SSDOTTSWSA-N -1 1 379.837 1.387 20 0 GDADMM CC(C)c1ncc(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)s1 ZINC001574427816 948915436 /nfs/dbraw/zinc/91/54/36/948915436.db2.gz QUUJDQFLPUVKTB-JTQLQIEISA-N -1 1 385.457 1.563 20 0 GDADMM CC(C)c1ncc(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)s1 ZINC001574427816 948915448 /nfs/dbraw/zinc/91/54/48/948915448.db2.gz QUUJDQFLPUVKTB-JTQLQIEISA-N -1 1 385.457 1.563 20 0 GDADMM CC(C)[C@@H]1C[C@H](C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CCO1 ZINC001574088333 948915992 /nfs/dbraw/zinc/91/59/92/948915992.db2.gz AXFIHDFAPMQEKF-CXTNEJHOSA-N -1 1 386.460 1.167 20 0 GDADMM CC(C)[C@@H]1C[C@H](C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CCO1 ZINC001574088333 948915999 /nfs/dbraw/zinc/91/59/99/948915999.db2.gz AXFIHDFAPMQEKF-CXTNEJHOSA-N -1 1 386.460 1.167 20 0 GDADMM CC(C)c1ncc(C(=O)N(C)CCN(C)c2ccc(-c3nnn[n-]3)nn2)s1 ZINC001574428018 948921759 /nfs/dbraw/zinc/92/17/59/948921759.db2.gz XVRRKLUSKUMGHT-UHFFFAOYSA-N -1 1 387.473 1.445 20 0 GDADMM CC(C)c1ncc(C(=O)N(C)CCN(C)c2ccc(-c3nn[n-]n3)nn2)s1 ZINC001574428018 948921773 /nfs/dbraw/zinc/92/17/73/948921773.db2.gz XVRRKLUSKUMGHT-UHFFFAOYSA-N -1 1 387.473 1.445 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001573765821 948926537 /nfs/dbraw/zinc/92/65/37/948926537.db2.gz KLBFVXUXNSMICN-CQSZACIVSA-N -1 1 378.440 1.069 20 0 GDADMM C[C@H](CNC(=O)CCn1cccc1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574923219 948937258 /nfs/dbraw/zinc/93/72/58/948937258.db2.gz HSSOIXOOMNXIIM-SECBINFHSA-N -1 1 380.865 1.785 20 0 GDADMM CC(C)c1ncsc1C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1 ZINC001574432742 948940363 /nfs/dbraw/zinc/94/03/63/948940363.db2.gz CTFDLVLYVAEWCI-UHFFFAOYSA-N -1 1 389.445 1.259 20 0 GDADMM CC(C)c1ncsc1C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1 ZINC001574432742 948940365 /nfs/dbraw/zinc/94/03/65/948940365.db2.gz CTFDLVLYVAEWCI-UHFFFAOYSA-N -1 1 389.445 1.259 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2 ZINC001575236879 948940496 /nfs/dbraw/zinc/94/04/96/948940496.db2.gz AVAIKGPKMMHBFV-RYUDHWBXSA-N -1 1 392.414 1.931 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2 ZINC001575236879 948940500 /nfs/dbraw/zinc/94/05/00/948940500.db2.gz AVAIKGPKMMHBFV-RYUDHWBXSA-N -1 1 392.414 1.931 20 0 GDADMM CC(C)(C(=O)N[C@@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C12CCC2)C1CC1 ZINC001573771514 948941151 /nfs/dbraw/zinc/94/11/51/948941151.db2.gz JHSWLXBIXHZLPM-QWHCGFSZSA-N -1 1 382.472 1.932 20 0 GDADMM CC(C)(C(=O)N[C@@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C12CCC2)C1CC1 ZINC001573771514 948941159 /nfs/dbraw/zinc/94/11/59/948941159.db2.gz JHSWLXBIXHZLPM-QWHCGFSZSA-N -1 1 382.472 1.932 20 0 GDADMM CC(C)c1ncsc1C(=O)N(C)[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574432924 948942236 /nfs/dbraw/zinc/94/22/36/948942236.db2.gz PISQMKRDVYZRAA-SNVBAGLBSA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)c1ncsc1C(=O)N(C)[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574432924 948942253 /nfs/dbraw/zinc/94/22/53/948942253.db2.gz PISQMKRDVYZRAA-SNVBAGLBSA-N -1 1 387.473 1.809 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575239066 948956615 /nfs/dbraw/zinc/95/66/15/948956615.db2.gz QAUKQULUNWCHQR-MNOVXSKESA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575239066 948956622 /nfs/dbraw/zinc/95/66/22/948956622.db2.gz QAUKQULUNWCHQR-MNOVXSKESA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CCC(=O)NCC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575239504 948961088 /nfs/dbraw/zinc/96/10/88/948961088.db2.gz SXSVXHPYNNLPSC-LLVKDONJSA-N -1 1 380.403 1.425 20 0 GDADMM CC(C)(C(=O)N[C@@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C12CCC2)C1CC1 ZINC001573772557 948961974 /nfs/dbraw/zinc/96/19/74/948961974.db2.gz UUTFXQDUJJRTCQ-ZIAGYGMSSA-N -1 1 382.472 1.932 20 0 GDADMM CC(C)(C(=O)N[C@@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C12CCC2)C1CC1 ZINC001573772557 948961988 /nfs/dbraw/zinc/96/19/88/948961988.db2.gz UUTFXQDUJJRTCQ-ZIAGYGMSSA-N -1 1 382.472 1.932 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C(F)F ZINC001573772898 948969590 /nfs/dbraw/zinc/96/95/90/948969590.db2.gz YBXKFBIZRFERFW-JTQLQIEISA-N -1 1 380.403 1.423 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575241065 948971028 /nfs/dbraw/zinc/97/10/28/948971028.db2.gz ARGFFAIICMQNPV-XYPYZODXSA-N -1 1 380.403 1.931 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575241065 948971034 /nfs/dbraw/zinc/97/10/34/948971034.db2.gz ARGFFAIICMQNPV-XYPYZODXSA-N -1 1 380.403 1.931 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)NCC1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574091044 949003352 /nfs/dbraw/zinc/00/33/52/949003352.db2.gz MPRQTWPXDFZEJB-KBPBESRZSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)c1nnsc1C(=O)N(C)[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574439527 949008775 /nfs/dbraw/zinc/00/87/75/949008775.db2.gz GOYQKSXNGZGLCX-VIFPVBQESA-N -1 1 388.461 1.204 20 0 GDADMM CC(C)c1nnsc1C(=O)N(C)[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574439527 949008790 /nfs/dbraw/zinc/00/87/90/949008790.db2.gz GOYQKSXNGZGLCX-VIFPVBQESA-N -1 1 388.461 1.204 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)C1(C(F)F)CCCC1 ZINC001574691065 949013300 /nfs/dbraw/zinc/01/33/00/949013300.db2.gz SUCVPFUYOXOPML-SNVBAGLBSA-N -1 1 380.403 1.789 20 0 GDADMM CC(C)c1nnsc1C(=O)NCC[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574439544 949013166 /nfs/dbraw/zinc/01/31/66/949013166.db2.gz GZGNTAXTOBMXQO-VIFPVBQESA-N -1 1 388.461 1.252 20 0 GDADMM CC(C)c1nnsc1C(=O)NCC[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574439544 949013184 /nfs/dbraw/zinc/01/31/84/949013184.db2.gz GZGNTAXTOBMXQO-VIFPVBQESA-N -1 1 388.461 1.252 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)C1(C(F)F)CCCC1 ZINC001574691065 949013320 /nfs/dbraw/zinc/01/33/20/949013320.db2.gz SUCVPFUYOXOPML-SNVBAGLBSA-N -1 1 380.403 1.789 20 0 GDADMM CC(C)(C(=O)NCC1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1 ZINC001573779003 949053916 /nfs/dbraw/zinc/05/39/16/949053916.db2.gz CAZQNNNBFUYYNF-UHFFFAOYSA-N -1 1 392.467 1.941 20 0 GDADMM CC(C)(C(=O)NCC1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1 ZINC001573779003 949053936 /nfs/dbraw/zinc/05/39/36/949053936.db2.gz CAZQNNNBFUYYNF-UHFFFAOYSA-N -1 1 392.467 1.941 20 0 GDADMM CC(C)c1occc1C(=O)N(C)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574441280 949056939 /nfs/dbraw/zinc/05/69/39/949056939.db2.gz JCUKHQISXYZRDT-GFCCVEGCSA-N -1 1 382.428 1.724 20 0 GDADMM CC(C)c1occc1C(=O)N(C)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574441280 949056956 /nfs/dbraw/zinc/05/69/56/949056956.db2.gz JCUKHQISXYZRDT-GFCCVEGCSA-N -1 1 382.428 1.724 20 0 GDADMM CC(C)(C(=O)NCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C(F)F ZINC001573779509 949065452 /nfs/dbraw/zinc/06/54/52/949065452.db2.gz KJXFUAVGSWMLMA-UHFFFAOYSA-N -1 1 380.403 1.281 20 0 GDADMM CC(C)(C(=O)NCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C(F)F ZINC001573779509 949065476 /nfs/dbraw/zinc/06/54/76/949065476.db2.gz KJXFUAVGSWMLMA-UHFFFAOYSA-N -1 1 380.403 1.281 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1)C1CCCC1 ZINC001573779866 949072441 /nfs/dbraw/zinc/07/24/41/949072441.db2.gz OGJYJOTURUSNCJ-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1)C1CCCC1 ZINC001573779866 949072461 /nfs/dbraw/zinc/07/24/61/949072461.db2.gz OGJYJOTURUSNCJ-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)c1nocc1C(=O)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001574442064 949091854 /nfs/dbraw/zinc/09/18/54/949091854.db2.gz KLDGGYKTOZBZQP-NSHDSACASA-N -1 1 383.416 1.342 20 0 GDADMM CC(C)c1nocc1C(=O)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001574442064 949091874 /nfs/dbraw/zinc/09/18/74/949091874.db2.gz KLDGGYKTOZBZQP-NSHDSACASA-N -1 1 383.416 1.342 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1ncoc1C(C)(C)C ZINC001574695152 949104680 /nfs/dbraw/zinc/10/46/80/949104680.db2.gz CXQOFRTZTRXDBI-JTQLQIEISA-N -1 1 385.432 1.563 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1ncoc1C(C)(C)C ZINC001574695152 949104695 /nfs/dbraw/zinc/10/46/95/949104695.db2.gz CXQOFRTZTRXDBI-JTQLQIEISA-N -1 1 385.432 1.563 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1scnc1Cl ZINC001574696253 949127825 /nfs/dbraw/zinc/12/78/25/949127825.db2.gz OMCFBMVPPHWJAU-ZETCQYMHSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1scnc1Cl ZINC001574696253 949127843 /nfs/dbraw/zinc/12/78/43/949127843.db2.gz OMCFBMVPPHWJAU-ZETCQYMHSA-N -1 1 379.837 1.387 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N[C@H](C)CCNc1nccnc1-c1nnn[n-]1 ZINC001574696444 949135022 /nfs/dbraw/zinc/13/50/22/949135022.db2.gz QRGQUYWGGNKXGA-LLVKDONJSA-N -1 1 384.448 1.134 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N[C@H](C)CCNc1nccnc1-c1nn[n-]n1 ZINC001574696444 949135043 /nfs/dbraw/zinc/13/50/43/949135043.db2.gz QRGQUYWGGNKXGA-LLVKDONJSA-N -1 1 384.448 1.134 20 0 GDADMM CC(C)[C@H]1C[C@@H](C(=O)NCC2(Nc3nccnc3-c3nnn[n-]3)CC2)CCO1 ZINC001574094457 949136525 /nfs/dbraw/zinc/13/65/25/949136525.db2.gz WEESPLNYPFZKLO-QWHCGFSZSA-N -1 1 386.460 1.169 20 0 GDADMM CC(C)[C@H]1C[C@@H](C(=O)NCC2(Nc3nccnc3-c3nn[n-]n3)CC2)CCO1 ZINC001574094457 949136531 /nfs/dbraw/zinc/13/65/31/949136531.db2.gz WEESPLNYPFZKLO-QWHCGFSZSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)Cc1cc(C2CC2)no1 ZINC001574696671 949137392 /nfs/dbraw/zinc/13/73/92/949137392.db2.gz UDWUTTQMEHKVFB-SNVBAGLBSA-N -1 1 383.416 1.072 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)Cc1cc(C2CC2)no1 ZINC001574696671 949137405 /nfs/dbraw/zinc/13/74/05/949137405.db2.gz UDWUTTQMEHKVFB-SNVBAGLBSA-N -1 1 383.416 1.072 20 0 GDADMM CC(C)c1occc1C(=O)NC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001574446883 949144538 /nfs/dbraw/zinc/14/45/38/949144538.db2.gz ZEYHTJLDFXCMSC-LBPRGKRZSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1occc1C(=O)NC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001574446883 949144545 /nfs/dbraw/zinc/14/45/45/949144545.db2.gz ZEYHTJLDFXCMSC-LBPRGKRZSA-N -1 1 382.428 1.772 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cc2ccccc2n1C ZINC001574697019 949146922 /nfs/dbraw/zinc/14/69/22/949146922.db2.gz XFEKOIVRBTWZMU-GFCCVEGCSA-N -1 1 391.439 1.769 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cc2ccccc2n1C ZINC001574697019 949146932 /nfs/dbraw/zinc/14/69/32/949146932.db2.gz XFEKOIVRBTWZMU-GFCCVEGCSA-N -1 1 391.439 1.769 20 0 GDADMM CC(C)[C@H]1C[C@@H](C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CCO1 ZINC001574095420 949148804 /nfs/dbraw/zinc/14/88/04/949148804.db2.gz XZNSBZABLZAVFD-WCQYABFASA-N -1 1 376.465 1.014 20 0 GDADMM CC(C)[C@H]1C[C@@H](C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CCO1 ZINC001574095420 949148816 /nfs/dbraw/zinc/14/88/16/949148816.db2.gz XZNSBZABLZAVFD-WCQYABFASA-N -1 1 376.465 1.014 20 0 GDADMM CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1)C1CCC1 ZINC001573786887 949156166 /nfs/dbraw/zinc/15/61/66/949156166.db2.gz BUGMPLJZXLBDHY-NFAWXSAZSA-N -1 1 382.472 1.709 20 0 GDADMM CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1)C1CCC1 ZINC001573786887 949156181 /nfs/dbraw/zinc/15/61/81/949156181.db2.gz BUGMPLJZXLBDHY-NFAWXSAZSA-N -1 1 382.472 1.709 20 0 GDADMM CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)C1CCCC1 ZINC001573786988 949157981 /nfs/dbraw/zinc/15/79/81/949157981.db2.gz IGJFQNAFIMSMFZ-VIKVFOODSA-N -1 1 382.472 1.424 20 0 GDADMM CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)C1CCCC1 ZINC001573786988 949157990 /nfs/dbraw/zinc/15/79/90/949157990.db2.gz IGJFQNAFIMSMFZ-VIKVFOODSA-N -1 1 382.472 1.424 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)c1ccccc1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575252272 949160573 /nfs/dbraw/zinc/16/05/73/949160573.db2.gz QDICSFBVFJRLNA-QWHCGFSZSA-N -1 1 380.456 1.940 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)c1ccccc1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575252272 949160560 /nfs/dbraw/zinc/16/05/60/949160560.db2.gz QDICSFBVFJRLNA-QWHCGFSZSA-N -1 1 380.456 1.940 20 0 GDADMM C[C@H](c1ccccc1)[C@@H](O)CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC001575514656 949171546 /nfs/dbraw/zinc/17/15/46/949171546.db2.gz DLPPHHDOQZPAOX-ABAIWWIYSA-N -1 1 391.428 1.449 20 0 GDADMM C[C@H](NC(=O)C1(C(F)F)CC1)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575253467 949189423 /nfs/dbraw/zinc/18/94/23/949189423.db2.gz UFVDKEOHLMPNRN-WDEREUQCSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@H](NC(=O)C1(C(F)F)CC1)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575253467 949189416 /nfs/dbraw/zinc/18/94/16/949189416.db2.gz UFVDKEOHLMPNRN-WDEREUQCSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@H](NC(=O)C1(C)CCCC1)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575253699 949192943 /nfs/dbraw/zinc/19/29/43/949192943.db2.gz LGPPSRLDXRTVRG-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](NC(=O)C1(C)CCCC1)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575253699 949192956 /nfs/dbraw/zinc/19/29/56/949192956.db2.gz LGPPSRLDXRTVRG-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)c1oncc1C(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574449409 949196986 /nfs/dbraw/zinc/19/69/86/949196986.db2.gz RDIXKAAUEARJKP-ZYHUDNBSSA-N -1 1 383.416 1.341 20 0 GDADMM CC(C)c1oncc1C(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574449409 949196995 /nfs/dbraw/zinc/19/69/95/949196995.db2.gz RDIXKAAUEARJKP-ZYHUDNBSSA-N -1 1 383.416 1.341 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(Cl)cc1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574935405 949199656 /nfs/dbraw/zinc/19/96/56/949199656.db2.gz BNNATSRFYZZRFS-NSHDSACASA-N -1 1 386.847 1.139 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(F)cc1F)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574935368 949200700 /nfs/dbraw/zinc/20/07/00/949200700.db2.gz AYVVHOLESVPDON-JTQLQIEISA-N -1 1 388.382 1.119 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(F)cc1F)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574935368 949200720 /nfs/dbraw/zinc/20/07/20/949200720.db2.gz AYVVHOLESVPDON-JTQLQIEISA-N -1 1 388.382 1.119 20 0 GDADMM CC(C)c1oncc1C(=O)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574449431 949202824 /nfs/dbraw/zinc/20/28/24/949202824.db2.gz RYJMOKXFKXPXAS-NSHDSACASA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1oncc1C(=O)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574449431 949202845 /nfs/dbraw/zinc/20/28/45/949202845.db2.gz RYJMOKXFKXPXAS-NSHDSACASA-N -1 1 383.416 1.485 20 0 GDADMM C[C@@H]1CCC[C@]1(C)C(=O)N1CCC(N(C)c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576151230 949210436 /nfs/dbraw/zinc/21/04/36/949210436.db2.gz DUKSAXQTOCEGDP-YJYMSZOUSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCC[C@]1(C)C(=O)N1CCC(N(C)c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576151230 949210454 /nfs/dbraw/zinc/21/04/54/949210454.db2.gz DUKSAXQTOCEGDP-YJYMSZOUSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(F)c(Cl)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001574936149 949210323 /nfs/dbraw/zinc/21/03/23/949210323.db2.gz HSZMYCAFNNERCN-SECBINFHSA-N -1 1 390.810 1.609 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(F)c(Cl)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001574936149 949210348 /nfs/dbraw/zinc/21/03/48/949210348.db2.gz HSZMYCAFNNERCN-SECBINFHSA-N -1 1 390.810 1.609 20 0 GDADMM CC(C)c1oncc1C(=O)N[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001574451103 949210552 /nfs/dbraw/zinc/21/05/52/949210552.db2.gz BWPJLBHURHQSOC-CHWSQXEVSA-N -1 1 397.443 1.921 20 0 GDADMM CC(C)c1oncc1C(=O)N[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001574451103 949210567 /nfs/dbraw/zinc/21/05/67/949210567.db2.gz BWPJLBHURHQSOC-CHWSQXEVSA-N -1 1 397.443 1.921 20 0 GDADMM O=C([O-])c1ccc(C(=O)N2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)cn1 ZINC001595215336 949216470 /nfs/dbraw/zinc/21/64/70/949216470.db2.gz YUOCPCRBCOBNDO-MOPGFXCFSA-N -1 1 381.432 1.895 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001574451195 949221227 /nfs/dbraw/zinc/22/12/27/949221227.db2.gz GQUDEHZBKPZMON-GFCCVEGCSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001574451195 949221246 /nfs/dbraw/zinc/22/12/46/949221246.db2.gz GQUDEHZBKPZMON-GFCCVEGCSA-N -1 1 383.416 1.389 20 0 GDADMM C[C@@H](NC(=O)C1(C(F)F)CCCC1)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575255142 949225720 /nfs/dbraw/zinc/22/57/20/949225720.db2.gz YJIAHEGJTAFRKL-NXEZZACHSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@@H](NC(=O)C1(C(F)F)CCCC1)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575255142 949225741 /nfs/dbraw/zinc/22/57/41/949225741.db2.gz YJIAHEGJTAFRKL-NXEZZACHSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)C(C)(C)CC(F)(F)F ZINC001575255375 949229609 /nfs/dbraw/zinc/22/96/09/949229609.db2.gz ZQPFSVKDIALMNE-BDAKNGLRSA-N -1 1 386.382 1.940 20 0 GDADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)C(C)(C)CC(F)(F)F ZINC001575255375 949229631 /nfs/dbraw/zinc/22/96/31/949229631.db2.gz ZQPFSVKDIALMNE-BDAKNGLRSA-N -1 1 386.382 1.940 20 0 GDADMM C[C@@H]1CCC[C@@H](C(=O)N2C[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]3C2)C1 ZINC001576151681 949231176 /nfs/dbraw/zinc/23/11/76/949231176.db2.gz IANVOISOYDTTFM-TUVASFSCSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H]1CCC[C@@H](C(=O)N2C[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]3C2)C1 ZINC001576151681 949231198 /nfs/dbraw/zinc/23/11/98/949231198.db2.gz IANVOISOYDTTFM-TUVASFSCSA-N -1 1 382.472 1.378 20 0 GDADMM CC(C)CC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1c1ccnc(-c2nn[n-]n2)n1 ZINC001574103279 949239730 /nfs/dbraw/zinc/23/97/30/949239730.db2.gz PJBDGZSEGKWJSD-XGUBFFRZSA-N -1 1 382.472 1.376 20 0 GDADMM CC(C)CC(=O)N1CCC([C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001574103584 949256999 /nfs/dbraw/zinc/25/69/99/949256999.db2.gz XOTRDMCULJXGTN-HNNXBMFYSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)CC(=O)N1CCC([C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001574103584 949257021 /nfs/dbraw/zinc/25/70/21/949257021.db2.gz XOTRDMCULJXGTN-HNNXBMFYSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)CC(=O)N1CC2(C[C@@H]1C)CCN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001574103683 949262896 /nfs/dbraw/zinc/26/28/96/949262896.db2.gz ZZYITFXTRGSROA-AWEZNQCLSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](CNC(=O)Cc1cccnc1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574940606 949269671 /nfs/dbraw/zinc/26/96/71/949269671.db2.gz HKXMJWANQCKLGF-SECBINFHSA-N -1 1 392.876 1.779 20 0 GDADMM CC(C)n1cc(C(=O)NC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C2CC2)cn1 ZINC001574452974 949272935 /nfs/dbraw/zinc/27/29/35/949272935.db2.gz TYWXFWGHNPUWBU-CQSZACIVSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cc(C(=O)NC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C2CC2)cn1 ZINC001574452974 949272952 /nfs/dbraw/zinc/27/29/52/949272952.db2.gz TYWXFWGHNPUWBU-CQSZACIVSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@H](NC(=O)C1CCC(F)(F)CC1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575257552 949279736 /nfs/dbraw/zinc/27/97/36/949279736.db2.gz AIPNPZHLZXFPPP-UWVGGRQHSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@H](NC(=O)C1CCC(F)(F)CC1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575257552 949279760 /nfs/dbraw/zinc/27/97/60/949279760.db2.gz AIPNPZHLZXFPPP-UWVGGRQHSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@@H](CN(C)C(=O)C1(Cc2ccccc2)CC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574702634 949285306 /nfs/dbraw/zinc/28/53/06/949285306.db2.gz JTIREZHNQLHBFC-AWEZNQCLSA-N -1 1 392.467 1.938 20 0 GDADMM C[C@@H](CN(C)C(=O)C1(Cc2ccccc2)CC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574702634 949285329 /nfs/dbraw/zinc/28/53/29/949285329.db2.gz JTIREZHNQLHBFC-AWEZNQCLSA-N -1 1 392.467 1.938 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)n1 ZINC001575860238 949293628 /nfs/dbraw/zinc/29/36/28/949293628.db2.gz DVNJKLKRJMRHEY-HWPZZCPQSA-N -1 1 390.473 1.211 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)n1 ZINC001575860238 949293648 /nfs/dbraw/zinc/29/36/48/949293648.db2.gz DVNJKLKRJMRHEY-HWPZZCPQSA-N -1 1 390.473 1.211 20 0 GDADMM CC1=C(C)C[C@@H](C(=O)NC[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575860488 949300487 /nfs/dbraw/zinc/30/04/87/949300487.db2.gz JHJNEOYJURTNAB-CABCVRRESA-N -1 1 382.472 1.736 20 0 GDADMM C[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)[C@H](C)NC(=O)C1=COCCC1 ZINC001575259189 949322298 /nfs/dbraw/zinc/32/22/98/949322298.db2.gz NMQWPECRKMHULE-JGVFFNPUSA-N -1 1 383.865 1.976 20 0 GDADMM C[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)[C@H](C)NC(=O)C1=COCCC1 ZINC001575259189 949322318 /nfs/dbraw/zinc/32/23/18/949322318.db2.gz NMQWPECRKMHULE-JGVFFNPUSA-N -1 1 383.865 1.976 20 0 GDADMM CC(C)CC(=O)N1C[C@@H]2CN(c3nc(-c4nn[n-]n4)c(Cl)s3)C[C@@H]2C1 ZINC001574109883 949340367 /nfs/dbraw/zinc/34/03/67/949340367.db2.gz IDPQBDQWRCQGPT-AOOOYVTPSA-N -1 1 381.893 1.917 20 0 GDADMM CC(C)n1ccc(C(=O)N[C@H](CNc2nccnc2-c2nnn[n-]2)C2CC2)n1 ZINC001574458322 949342638 /nfs/dbraw/zinc/34/26/38/949342638.db2.gz SOIVXCLVXHZNCF-CYBMUJFWSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1ccc(C(=O)N[C@H](CNc2nccnc2-c2nn[n-]n2)C2CC2)n1 ZINC001574458322 949342660 /nfs/dbraw/zinc/34/26/60/949342660.db2.gz SOIVXCLVXHZNCF-CYBMUJFWSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccon1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574942210 949343969 /nfs/dbraw/zinc/34/39/69/949343969.db2.gz LALUTGXWSDTAFT-ZETCQYMHSA-N -1 1 382.837 1.372 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccon1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574942210 949343978 /nfs/dbraw/zinc/34/39/78/949343978.db2.gz LALUTGXWSDTAFT-ZETCQYMHSA-N -1 1 382.837 1.372 20 0 GDADMM CC(C)n1ccc(C(=O)N2CCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001574458831 949350450 /nfs/dbraw/zinc/35/04/50/949350450.db2.gz ZMBPURULQJAZBJ-GFCCVEGCSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1ccc(C(=O)N2CCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001574458831 949350472 /nfs/dbraw/zinc/35/04/72/949350472.db2.gz ZMBPURULQJAZBJ-GFCCVEGCSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1cccc1C(=O)N(C)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574459366 949352290 /nfs/dbraw/zinc/35/22/90/949352290.db2.gz CATIFPYPDGGXLQ-ZDUSSCGKSA-N -1 1 381.444 1.390 20 0 GDADMM CC(C)n1cccc1C(=O)N(C)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574459366 949352313 /nfs/dbraw/zinc/35/23/13/949352313.db2.gz CATIFPYPDGGXLQ-ZDUSSCGKSA-N -1 1 381.444 1.390 20 0 GDADMM C[C@H](NC(=O)C1CC(F)(F)C1)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575260997 949368953 /nfs/dbraw/zinc/36/89/53/949368953.db2.gz ZDLPZCAFWZMQFJ-WDEREUQCSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@H](NC(=O)C1CC(F)(F)C1)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575260997 949368975 /nfs/dbraw/zinc/36/89/75/949368975.db2.gz ZDLPZCAFWZMQFJ-WDEREUQCSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@@H](NC(=O)C1CCOCC1)[C@@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001575262778 949379370 /nfs/dbraw/zinc/37/93/70/949379370.db2.gz CCGQTMYPCPWLMT-HTQZYQBOSA-N -1 1 385.881 1.708 20 0 GDADMM C[C@@H](NC(=O)C1CCOCC1)[C@@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575262778 949379389 /nfs/dbraw/zinc/37/93/89/949379389.db2.gz CCGQTMYPCPWLMT-HTQZYQBOSA-N -1 1 385.881 1.708 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCCF ZINC001576155089 949380040 /nfs/dbraw/zinc/38/00/40/949380040.db2.gz GJNFDVJFVPUUDY-YVEFUNNKSA-N -1 1 376.440 1.883 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCCF ZINC001576155089 949380063 /nfs/dbraw/zinc/38/00/63/949380063.db2.gz GJNFDVJFVPUUDY-YVEFUNNKSA-N -1 1 376.440 1.883 20 0 GDADMM CC(C)n1cnc(C(=O)N(C)CCCN(C)c2ccnc(-c3nn[n-]n3)n2)c1 ZINC001574463892 949386374 /nfs/dbraw/zinc/38/63/74/949386374.db2.gz AKHGDKFNWYDUIT-UHFFFAOYSA-N -1 1 384.448 1.033 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2(C)CC(F)(F)C2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575865749 949386681 /nfs/dbraw/zinc/38/66/81/949386681.db2.gz BQEMOWMRJMQZMK-WDEREUQCSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2(C)CC(F)(F)C2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575865749 949386696 /nfs/dbraw/zinc/38/66/96/949386696.db2.gz BQEMOWMRJMQZMK-WDEREUQCSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@@H](NC(=O)CC(C)(C)C(F)(F)F)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575263109 949390295 /nfs/dbraw/zinc/39/02/95/949390295.db2.gz DQJUPFJJGPJALB-BDAKNGLRSA-N -1 1 386.382 1.940 20 0 GDADMM C[C@@H](NC(=O)CC(C)(C)C(F)(F)F)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575263109 949390312 /nfs/dbraw/zinc/39/03/12/949390312.db2.gz DQJUPFJJGPJALB-BDAKNGLRSA-N -1 1 386.382 1.940 20 0 GDADMM C[C@H]1[C@H](NC(=O)C(C)(C)C(F)F)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575866106 949393630 /nfs/dbraw/zinc/39/36/30/949393630.db2.gz CVMHWXSQINIJJR-VHSXEESVSA-N -1 1 380.403 1.422 20 0 GDADMM C[C@H]1[C@H](NC(=O)C(C)(C)C(F)F)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575866106 949393651 /nfs/dbraw/zinc/39/36/51/949393651.db2.gz CVMHWXSQINIJJR-VHSXEESVSA-N -1 1 380.403 1.422 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CCCF ZINC001576156179 949431988 /nfs/dbraw/zinc/43/19/88/949431988.db2.gz LWAHSTNACPWUCE-SJKOYZFVSA-N -1 1 376.440 1.883 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CCCF ZINC001576156179 949431999 /nfs/dbraw/zinc/43/19/99/949431999.db2.gz LWAHSTNACPWUCE-SJKOYZFVSA-N -1 1 376.440 1.883 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2(C(C)(F)F)CC2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575867735 949442031 /nfs/dbraw/zinc/44/20/31/949442031.db2.gz JZYFJRFIUSIPMT-MNOVXSKESA-N -1 1 392.414 1.566 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2(C(C)(F)F)CC2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575867735 949442043 /nfs/dbraw/zinc/44/20/43/949442043.db2.gz JZYFJRFIUSIPMT-MNOVXSKESA-N -1 1 392.414 1.566 20 0 GDADMM C[C@]1(C(=O)N2CCC(CNc3ccc(-c4nnn[n-]4)nn3)CC2)CCCOC1 ZINC001575535420 949446269 /nfs/dbraw/zinc/44/62/69/949446269.db2.gz WYFPKCQWINUAHL-SFHVURJKSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@]1(C(=O)N2CCC(CNc3ccc(-c4nn[n-]n4)nn3)CC2)CCCOC1 ZINC001575535420 949446286 /nfs/dbraw/zinc/44/62/86/949446286.db2.gz WYFPKCQWINUAHL-SFHVURJKSA-N -1 1 386.460 1.124 20 0 GDADMM CC1(C(=O)N2CCC([C@@H]3CCN(c4cncc(-c5nnn[n-]5)n4)C3)CC2)CC1 ZINC001575535563 949449584 /nfs/dbraw/zinc/44/95/84/949449584.db2.gz YOTDEVCRDFETJW-CQSZACIVSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C(=O)N2CCC([C@@H]3CCN(c4cncc(-c5nn[n-]n5)n4)C3)CC2)CC1 ZINC001575535563 949449601 /nfs/dbraw/zinc/44/96/01/949449601.db2.gz YOTDEVCRDFETJW-CQSZACIVSA-N -1 1 382.472 1.522 20 0 GDADMM CC(C)(C)C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1c1ccccc1 ZINC001573805847 949476116 /nfs/dbraw/zinc/47/61/16/949476116.db2.gz BFOPYTGHJDPVGA-LSDHHAIUSA-N -1 1 392.467 1.791 20 0 GDADMM CC(C)(C)C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1c1ccccc1 ZINC001573805847 949476129 /nfs/dbraw/zinc/47/61/29/949476129.db2.gz BFOPYTGHJDPVGA-LSDHHAIUSA-N -1 1 392.467 1.791 20 0 GDADMM CC(C)(C)C(=O)NCc1cccc2c1CCN(c1nccnc1-c1nnn[n-]1)C2 ZINC001573805957 949481177 /nfs/dbraw/zinc/48/11/77/949481177.db2.gz FQHZHFOXTFVCHD-UHFFFAOYSA-N -1 1 392.467 1.882 20 0 GDADMM CC(C)(C)C(=O)NCc1cccc2c1CCN(c1nccnc1-c1nn[n-]n1)C2 ZINC001573805957 949481191 /nfs/dbraw/zinc/48/11/91/949481191.db2.gz FQHZHFOXTFVCHD-UHFFFAOYSA-N -1 1 392.467 1.882 20 0 GDADMM CC(C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CCCO1 ZINC001574118939 949491361 /nfs/dbraw/zinc/49/13/61/949491361.db2.gz GWDJODTTYJBNNB-OAHLLOKOSA-N -1 1 390.463 1.759 20 0 GDADMM C[C@H]1CCC[C@@H]1CC(=O)NC1(C)CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001576158590 949503123 /nfs/dbraw/zinc/50/31/23/949503123.db2.gz UKSUQUXWBFCUTO-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCC[C@@H]1CC(=O)NC1(C)CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001576158590 949503138 /nfs/dbraw/zinc/50/31/38/949503138.db2.gz UKSUQUXWBFCUTO-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1Cc2ccc(F)cc21)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574710911 949518049 /nfs/dbraw/zinc/51/80/49/949518049.db2.gz BUTXNCMNFQGQON-HZMBPMFUSA-N -1 1 382.403 1.395 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1Cc2ccc(F)cc21)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574710911 949518065 /nfs/dbraw/zinc/51/80/65/949518065.db2.gz BUTXNCMNFQGQON-HZMBPMFUSA-N -1 1 382.403 1.395 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2(F)CCCCC2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575871954 949525779 /nfs/dbraw/zinc/52/57/79/949525779.db2.gz DCZITQJYKQVZIB-CHWSQXEVSA-N -1 1 388.451 1.803 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2(F)CCCCC2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575871954 949525793 /nfs/dbraw/zinc/52/57/93/949525793.db2.gz DCZITQJYKQVZIB-CHWSQXEVSA-N -1 1 388.451 1.803 20 0 GDADMM C[C@@H](CNC(=O)Nc1ccnc(-c2nnn[n-]2)c1)CNC(=O)OC(C)(C)C ZINC001574950229 949533621 /nfs/dbraw/zinc/53/36/21/949533621.db2.gz MVLLYZIGOAAAAD-JTQLQIEISA-N -1 1 376.421 1.544 20 0 GDADMM C[C@@H](CNC(=O)Nc1ccnc(-c2nn[n-]n2)c1)CNC(=O)OC(C)(C)C ZINC001574950229 949533637 /nfs/dbraw/zinc/53/36/37/949533637.db2.gz MVLLYZIGOAAAAD-JTQLQIEISA-N -1 1 376.421 1.544 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2CC(C)(C)C2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576164912 949560270 /nfs/dbraw/zinc/56/02/70/949560270.db2.gz IFZXBNNOXXFRDN-TZMCWYRMSA-N -1 1 384.488 1.554 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2CC3(CCC3)C2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575873356 949576836 /nfs/dbraw/zinc/57/68/36/949576836.db2.gz OLFYVUHQRZJTRG-GXTWGEPZSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H](CN(C)C(=O)CC(C)(C)CC(F)F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574712699 949585279 /nfs/dbraw/zinc/58/52/79/949585279.db2.gz SYNRYVPNGCCMHW-SNVBAGLBSA-N -1 1 382.419 1.409 20 0 GDADMM C[C@@H](NC(=O)CCCc1ccccc1)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575270532 949594399 /nfs/dbraw/zinc/59/43/99/949594399.db2.gz DOGQQVGDFFMXCJ-ZIAGYGMSSA-N -1 1 380.456 1.407 20 0 GDADMM C[C@@]1(C(=O)N2CCCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)CCCOC1 ZINC001575545873 949603925 /nfs/dbraw/zinc/60/39/25/949603925.db2.gz NMNOCONWSMEPDC-FZKQIMNGSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@@]1(C(=O)N2CCCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)CCCOC1 ZINC001575545873 949603943 /nfs/dbraw/zinc/60/39/43/949603943.db2.gz NMNOCONWSMEPDC-FZKQIMNGSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CC(C)(C)C2CC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575874672 949612803 /nfs/dbraw/zinc/61/28/03/949612803.db2.gz UANLMYOSCIBGBA-TZMCWYRMSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CC(C)(C)C2CC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575874672 949612823 /nfs/dbraw/zinc/61/28/23/949612823.db2.gz UANLMYOSCIBGBA-TZMCWYRMSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H](NC(=O)CCCc1ccccc1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575271338 949614591 /nfs/dbraw/zinc/61/45/91/949614591.db2.gz JSAICWLXRPOYTK-KBPBESRZSA-N -1 1 380.456 1.985 20 0 GDADMM C[C@H](NC(=O)CCCc1ccccc1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575271338 949614606 /nfs/dbraw/zinc/61/46/06/949614606.db2.gz JSAICWLXRPOYTK-KBPBESRZSA-N -1 1 380.456 1.985 20 0 GDADMM C[C@H](CC(=O)N(C)CCCN(C)c1cnc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001574476870 949625211 /nfs/dbraw/zinc/62/52/11/949625211.db2.gz KYFCTZBJEVEJNP-SNVBAGLBSA-N -1 1 386.382 1.530 20 0 GDADMM C[C@H](CC(=O)N(C)CCCN(C)c1cnc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001574476870 949625223 /nfs/dbraw/zinc/62/52/23/949625223.db2.gz KYFCTZBJEVEJNP-SNVBAGLBSA-N -1 1 386.382 1.530 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CCC(C)(F)F)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575876163 949640200 /nfs/dbraw/zinc/64/02/00/949640200.db2.gz XABRVQWUQFOAIS-MNOVXSKESA-N -1 1 380.403 1.566 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CCC(C)(F)F)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575876163 949640210 /nfs/dbraw/zinc/64/02/10/949640210.db2.gz XABRVQWUQFOAIS-MNOVXSKESA-N -1 1 380.403 1.566 20 0 GDADMM C[C@@H]1CCCC[C@@H]1OCC(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576168811 949650078 /nfs/dbraw/zinc/65/00/78/949650078.db2.gz WDQWNJDHUURAAX-CXTNEJHOSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H]1CCCC[C@@H]1OCC(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576168811 949650087 /nfs/dbraw/zinc/65/00/87/949650087.db2.gz WDQWNJDHUURAAX-CXTNEJHOSA-N -1 1 386.460 1.311 20 0 GDADMM CC(C)CC(C)(C)C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001574131250 949652859 /nfs/dbraw/zinc/65/28/59/949652859.db2.gz CDPUNBWCBGNKJL-UHFFFAOYSA-N -1 1 392.529 1.663 20 0 GDADMM C[C@H]1[C@H](NC(=O)C23CCC(CC2)C3)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575876767 949654368 /nfs/dbraw/zinc/65/43/68/949654368.db2.gz YDPIOSVOSDHJLW-TXCIGDHXSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H]1[C@H](NC(=O)C23CCC(CC2)C3)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575876767 949654377 /nfs/dbraw/zinc/65/43/77/949654377.db2.gz YDPIOSVOSDHJLW-TXCIGDHXSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@@H]1CCCC[C@H]1CC(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001576168866 949654475 /nfs/dbraw/zinc/65/44/75/949654475.db2.gz HBPKFYPWTYOPPE-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCCC[C@H]1CC(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001576168866 949654494 /nfs/dbraw/zinc/65/44/94/949654494.db2.gz HBPKFYPWTYOPPE-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574958211 949656225 /nfs/dbraw/zinc/65/62/25/949656225.db2.gz OCVVISOSHAYHNM-HXFLIBJXSA-N -1 1 383.865 1.033 20 0 GDADMM C[C@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574958211 949656241 /nfs/dbraw/zinc/65/62/41/949656241.db2.gz OCVVISOSHAYHNM-HXFLIBJXSA-N -1 1 383.865 1.033 20 0 GDADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001573815598 949657312 /nfs/dbraw/zinc/65/73/12/949657312.db2.gz JBJULJQCKGQCST-SFDCQRBFSA-N -1 1 384.488 1.458 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CCc2ccco2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575877242 949658951 /nfs/dbraw/zinc/65/89/51/949658951.db2.gz LEGBYUPGXZECMU-TZMCWYRMSA-N -1 1 382.428 1.356 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CCc2ccco2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575877242 949658961 /nfs/dbraw/zinc/65/89/61/949658961.db2.gz LEGBYUPGXZECMU-TZMCWYRMSA-N -1 1 382.428 1.356 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C1(CCF)CC1 ZINC001573815880 949660516 /nfs/dbraw/zinc/66/05/16/949660516.db2.gz LGNILRZBPSVIPF-GFCCVEGCSA-N -1 1 376.440 1.739 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C1(CCF)CC1 ZINC001573815880 949660528 /nfs/dbraw/zinc/66/05/28/949660528.db2.gz LGNILRZBPSVIPF-GFCCVEGCSA-N -1 1 376.440 1.739 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@H]1CCC(F)(F)C1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574715644 949660779 /nfs/dbraw/zinc/66/07/79/949660779.db2.gz JVUMVALNIBOKHC-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@H]1CCC(F)(F)C1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574715644 949660794 /nfs/dbraw/zinc/66/07/94/949660794.db2.gz JVUMVALNIBOKHC-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@]1(C(=O)N2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)CCc2ccccc21 ZINC001575548260 949666583 /nfs/dbraw/zinc/66/65/83/949666583.db2.gz VYSUNDRVZAKCFU-HXUWFJFHSA-N -1 1 390.451 1.209 20 0 GDADMM C[C@@]1(C(=O)N2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)CCc2ccccc21 ZINC001575548260 949666593 /nfs/dbraw/zinc/66/65/93/949666593.db2.gz VYSUNDRVZAKCFU-HXUWFJFHSA-N -1 1 390.451 1.209 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CCn2cccc2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575877645 949667292 /nfs/dbraw/zinc/66/72/92/949667292.db2.gz MFRKXRVWZXYJAI-KBPBESRZSA-N -1 1 381.444 1.022 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CCn2cccc2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575877645 949667307 /nfs/dbraw/zinc/66/73/07/949667307.db2.gz MFRKXRVWZXYJAI-KBPBESRZSA-N -1 1 381.444 1.022 20 0 GDADMM CC(C)CC(C)(C)C(=O)NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1 ZINC001574131820 949669262 /nfs/dbraw/zinc/66/92/62/949669262.db2.gz LCMNEUCNJRQRTQ-ZDUSSCGKSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)CC(C)(C)C(=O)NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1 ZINC001574131820 949669273 /nfs/dbraw/zinc/66/92/73/949669273.db2.gz LCMNEUCNJRQRTQ-ZDUSSCGKSA-N -1 1 388.476 1.050 20 0 GDADMM CC1(C(=O)N2C[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]3C2)CCCCC1 ZINC001575552177 949680070 /nfs/dbraw/zinc/68/00/70/949680070.db2.gz BGNSNKHPZGKUOL-OKILXGFUSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C(=O)N2C[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]3C2)CCCCC1 ZINC001575552177 949680083 /nfs/dbraw/zinc/68/00/83/949680083.db2.gz BGNSNKHPZGKUOL-OKILXGFUSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574958714 949687625 /nfs/dbraw/zinc/68/76/25/949687625.db2.gz MVXHWNNJFDZOMM-ZQGRQUNCSA-N -1 1 392.467 1.221 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CCc2ccoc2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575879848 949692457 /nfs/dbraw/zinc/69/24/57/949692457.db2.gz RXTCOCNWVMVYIQ-OCCSQVGLSA-N -1 1 382.428 1.356 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CCc2ccoc2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575879848 949692470 /nfs/dbraw/zinc/69/24/70/949692470.db2.gz RXTCOCNWVMVYIQ-OCCSQVGLSA-N -1 1 382.428 1.356 20 0 GDADMM CC(C)CC(C)(C)C(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001574132419 949698958 /nfs/dbraw/zinc/69/89/58/949698958.db2.gz ZIIULLBIKXEZQO-CYBMUJFWSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)CC(C)(C)C(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001574132419 949698982 /nfs/dbraw/zinc/69/89/82/949698982.db2.gz ZIIULLBIKXEZQO-CYBMUJFWSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001573817696 949703506 /nfs/dbraw/zinc/70/35/06/949703506.db2.gz AFFISCXXBIHRKM-RFHZTLPTSA-N -1 1 386.460 1.167 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001573817696 949703516 /nfs/dbraw/zinc/70/35/16/949703516.db2.gz AFFISCXXBIHRKM-RFHZTLPTSA-N -1 1 386.460 1.167 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@]1(C)CCCOC1 ZINC001575557123 949706631 /nfs/dbraw/zinc/70/66/31/949706631.db2.gz ASZHHLCDIWVBOC-UGSOOPFHSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@]1(C)CCCOC1 ZINC001575557123 949706653 /nfs/dbraw/zinc/70/66/53/949706653.db2.gz ASZHHLCDIWVBOC-UGSOOPFHSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@H]1CCCC1(F)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574716946 949716596 /nfs/dbraw/zinc/71/65/96/949716596.db2.gz SBVMDJDYNFIZGK-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@H]1CCCC1(F)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574716946 949716619 /nfs/dbraw/zinc/71/66/19/949716619.db2.gz SBVMDJDYNFIZGK-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H]1[C@@H](NC(=O)COC2CCCC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575881309 949720896 /nfs/dbraw/zinc/72/08/96/949720896.db2.gz XHKFSLCPQIMJJE-JSGCOSHPSA-N -1 1 386.460 1.089 20 0 GDADMM C[C@H]1[C@@H](NC(=O)COC2CCCC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575881309 949720915 /nfs/dbraw/zinc/72/09/15/949720915.db2.gz XHKFSLCPQIMJJE-JSGCOSHPSA-N -1 1 386.460 1.089 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N1CC[C@@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574134713 949725285 /nfs/dbraw/zinc/72/52/85/949725285.db2.gz IOODVQZKGIVQHG-LSDHHAIUSA-N -1 1 386.504 1.801 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1)C1CC1 ZINC001574479281 949731675 /nfs/dbraw/zinc/73/16/75/949731675.db2.gz DFLWRPACFIRBEH-BFUOFWGJSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1)C1CC1 ZINC001574479281 949731686 /nfs/dbraw/zinc/73/16/86/949731686.db2.gz DFLWRPACFIRBEH-BFUOFWGJSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001574479724 949745382 /nfs/dbraw/zinc/74/53/82/949745382.db2.gz GHPGQHMNGIUHIC-UWVGGRQHSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001574479724 949745397 /nfs/dbraw/zinc/74/53/97/949745397.db2.gz GHPGQHMNGIUHIC-UWVGGRQHSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@@H]1CCCC[C@@H]1CC(=O)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576171610 949773176 /nfs/dbraw/zinc/77/31/76/949773176.db2.gz QOOHVUHKNWMDBY-HUUCEWRRSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@@H]1CCCC[C@@H]1CC(=O)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576171610 949773200 /nfs/dbraw/zinc/77/32/00/949773200.db2.gz QOOHVUHKNWMDBY-HUUCEWRRSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@H]1CCCO1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574718323 949776593 /nfs/dbraw/zinc/77/65/93/949776593.db2.gz ZTYRAYHXNXBFNU-RKDXNWHRSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@H]1CCCO1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574718323 949776599 /nfs/dbraw/zinc/77/65/99/949776599.db2.gz ZTYRAYHXNXBFNU-RKDXNWHRSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@H]1CCCN(C(=O)COC(C)(C)C)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576171794 949781055 /nfs/dbraw/zinc/78/10/55/949781055.db2.gz SKFVFDHWLRQWJJ-QWHCGFSZSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H]1CCCN(C(=O)COC(C)(C)C)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576171794 949781083 /nfs/dbraw/zinc/78/10/83/949781083.db2.gz SKFVFDHWLRQWJJ-QWHCGFSZSA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)C[C@H](C)CC(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001574138459 949788434 /nfs/dbraw/zinc/78/84/34/949788434.db2.gz CQXKTYMEKIPRHP-ZDUSSCGKSA-N -1 1 392.529 1.663 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CCn1cccc1 ZINC001573822408 949794509 /nfs/dbraw/zinc/79/45/09/949794509.db2.gz IRISQZKCKUEBPM-ZDUSSCGKSA-N -1 1 383.460 1.491 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CCn1cccc1 ZINC001573822408 949794528 /nfs/dbraw/zinc/79/45/28/949794528.db2.gz IRISQZKCKUEBPM-ZDUSSCGKSA-N -1 1 383.460 1.491 20 0 GDADMM C[C@@H]1CCCN(C(=O)CCC2CC2)[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576172117 949795917 /nfs/dbraw/zinc/79/59/17/949795917.db2.gz VGFFLRFIXSABNM-HIFRSBDPSA-N -1 1 384.488 1.698 20 0 GDADMM C[C@H]1CCCC[C@@H]1C(=O)N1CCC(N(C)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576172325 949800463 /nfs/dbraw/zinc/80/04/63/949800463.db2.gz TZISXXTZNIMBFS-ZFWWWQNUSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](CN(C)C(=O)CCCc1ccsc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574721751 949820726 /nfs/dbraw/zinc/82/07/26/949820726.db2.gz NGIYFGJJSZMLDQ-LBPRGKRZSA-N -1 1 386.485 2.000 20 0 GDADMM C[C@@H](CN(C)C(=O)CCCc1ccsc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574721751 949820751 /nfs/dbraw/zinc/82/07/51/949820751.db2.gz NGIYFGJJSZMLDQ-LBPRGKRZSA-N -1 1 386.485 2.000 20 0 GDADMM C[C@@H](C(=O)[O-])N(C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O)C1CC1 ZINC001602814973 971612135 /nfs/dbraw/zinc/61/21/35/971612135.db2.gz JZVKCRXBFRZYDN-NSHDSACASA-N -1 1 382.438 1.254 20 0 GDADMM C[C@H]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001576173310 949838992 /nfs/dbraw/zinc/83/89/92/949838992.db2.gz XAEANCAZNXJCTK-BYNSBNAKSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001576173310 949839014 /nfs/dbraw/zinc/83/90/14/949839014.db2.gz XAEANCAZNXJCTK-BYNSBNAKSA-N -1 1 382.472 1.663 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1csc(=O)[nH]1 ZINC001573823819 949841830 /nfs/dbraw/zinc/84/18/30/949841830.db2.gz ZIWUPDRNDXLJIS-JTQLQIEISA-N -1 1 389.445 1.075 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1csc(=O)[nH]1 ZINC001573823819 949841845 /nfs/dbraw/zinc/84/18/45/949841845.db2.gz ZIWUPDRNDXLJIS-JTQLQIEISA-N -1 1 389.445 1.075 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H](C)NC(=O)Cc1cc(C2CC2)no1 ZINC001575282738 949842064 /nfs/dbraw/zinc/84/20/64/949842064.db2.gz MHLARRRAIRMJPW-VHSXEESVSA-N -1 1 383.416 1.070 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H](C)NC(=O)Cc1cc(C2CC2)no1 ZINC001575282738 949842086 /nfs/dbraw/zinc/84/20/86/949842086.db2.gz MHLARRRAIRMJPW-VHSXEESVSA-N -1 1 383.416 1.070 20 0 GDADMM C[C@H]1CCCC[C@H]1CC(=O)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001576173873 949849277 /nfs/dbraw/zinc/84/92/77/949849277.db2.gz ZNYHBOSERNDXTA-GJZGRUSLSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@H]1CCCC[C@H]1CC(=O)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001576173873 949849299 /nfs/dbraw/zinc/84/92/99/949849299.db2.gz ZNYHBOSERNDXTA-GJZGRUSLSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)(C)C1CC(C(=O)NC[C@@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573824407 949849822 /nfs/dbraw/zinc/84/98/22/949849822.db2.gz FIGRFLMZMXRHCF-RUXDESIVSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H]2[C@@H]1CCN2c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001574483972 949852582 /nfs/dbraw/zinc/85/25/82/949852582.db2.gz AXABXZIJGSRHKL-KCXAZCMYSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H]2[C@@H]1CCN2c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001574483972 949852607 /nfs/dbraw/zinc/85/26/07/949852607.db2.gz AXABXZIJGSRHKL-KCXAZCMYSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2cc(Cl)c[nH]2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575885044 949861126 /nfs/dbraw/zinc/86/11/26/949861126.db2.gz KCODRABMTMUSSB-ONGXEEELSA-N -1 1 387.835 1.426 20 0 GDADMM CC1(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CCC(F)(F)CC1 ZINC001575568501 949894262 /nfs/dbraw/zinc/89/42/62/949894262.db2.gz AAZKZVHQZBDXES-LLVKDONJSA-N -1 1 392.414 1.567 20 0 GDADMM CC1(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CCC(F)(F)CC1 ZINC001575568501 949894289 /nfs/dbraw/zinc/89/42/89/949894289.db2.gz AAZKZVHQZBDXES-LLVKDONJSA-N -1 1 392.414 1.567 20 0 GDADMM CC1(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2(C)C)CCCC1 ZINC001575568608 949900594 /nfs/dbraw/zinc/90/05/94/949900594.db2.gz ATSJQBNGUPIUCQ-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2(C)C)CCCC1 ZINC001575568608 949900607 /nfs/dbraw/zinc/90/06/07/949900607.db2.gz ATSJQBNGUPIUCQ-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C)/C=C/C(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)C[C@@H]1O ZINC001573827143 949915000 /nfs/dbraw/zinc/91/50/00/949915000.db2.gz JWZLYPWRIQUSEN-VJIGKBMESA-N -1 1 397.892 1.245 20 0 GDADMM CC(C)(C)/C=C/C(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)C[C@@H]1O ZINC001573827143 949915005 /nfs/dbraw/zinc/91/50/05/949915005.db2.gz JWZLYPWRIQUSEN-VJIGKBMESA-N -1 1 397.892 1.245 20 0 GDADMM CC(C)(C)/C=C\C(=O)N1CC[C@@H]2[C@H](CCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573829401 949953979 /nfs/dbraw/zinc/95/39/79/949953979.db2.gz YYYGHCHDVHAWSJ-OTDCPUGPSA-N -1 1 382.472 1.686 20 0 GDADMM CC(C)(C)/C=C\C(=O)N1CC[C@@H]2[C@H](CCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573829401 949953998 /nfs/dbraw/zinc/95/39/98/949953998.db2.gz YYYGHCHDVHAWSJ-OTDCPUGPSA-N -1 1 382.472 1.686 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)[C@H](C)C1)n1cccc1 ZINC001574490209 949986909 /nfs/dbraw/zinc/98/69/09/949986909.db2.gz OPXHCUHZKSXCTF-QLFBSQMISA-N -1 1 395.471 1.616 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)[C@H](C)C1)n1cccc1 ZINC001574490209 949986930 /nfs/dbraw/zinc/98/69/30/949986930.db2.gz OPXHCUHZKSXCTF-QLFBSQMISA-N -1 1 395.471 1.616 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cscn2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576181048 949987596 /nfs/dbraw/zinc/98/75/96/949987596.db2.gz RWIZFFYIPGEZOE-CMPLNLGQSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cscn2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576181048 949987621 /nfs/dbraw/zinc/98/76/21/949987621.db2.gz RWIZFFYIPGEZOE-CMPLNLGQSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H](NC(=O)Cc1ccc(Cl)cc1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575289795 950003402 /nfs/dbraw/zinc/00/34/02/950003402.db2.gz BSCYCIMTDRFFGR-WDEREUQCSA-N -1 1 386.847 1.858 20 0 GDADMM C[C@@H](NC(=O)Cc1ccc(Cl)cc1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575289795 950003420 /nfs/dbraw/zinc/00/34/20/950003420.db2.gz BSCYCIMTDRFFGR-WDEREUQCSA-N -1 1 386.847 1.858 20 0 GDADMM C[C@@H]1CCN(C(=O)CC(F)(F)F)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576181473 950005597 /nfs/dbraw/zinc/00/55/97/950005597.db2.gz IHUCYCJYWSWJEK-ZJUUUORDSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@@H]1CCN(C(=O)CC(F)(F)F)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576181473 950005611 /nfs/dbraw/zinc/00/56/11/950005611.db2.gz IHUCYCJYWSWJEK-ZJUUUORDSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1cc(F)ccc1F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574728776 950007958 /nfs/dbraw/zinc/00/79/58/950007958.db2.gz JKMXUAGWLRLLTJ-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1cc(F)ccc1F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574728776 950007978 /nfs/dbraw/zinc/00/79/78/950007978.db2.gz JKMXUAGWLRLLTJ-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM CC(C)(C)CC(=O)N[C@@H]1CC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@H]2C1 ZINC001573834045 950009838 /nfs/dbraw/zinc/00/98/38/950009838.db2.gz DVDNEDQPHJLRLZ-HZSPNIEDSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)CC(=O)N[C@@H]1CC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@H]2C1 ZINC001573834045 950009864 /nfs/dbraw/zinc/00/98/64/950009864.db2.gz DVDNEDQPHJLRLZ-HZSPNIEDSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H]1CCN(C(=O)CC2CCCC2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576181661 950013384 /nfs/dbraw/zinc/01/33/84/950013384.db2.gz IQOJFDNFTVFHPR-HIFRSBDPSA-N -1 1 384.488 1.555 20 0 GDADMM CC(C)(C)CC(=O)N[C@@H]1CC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001573835118 950033209 /nfs/dbraw/zinc/03/32/09/950033209.db2.gz OWZPOKNEMCUEAH-BFHYXJOUSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)CC(=O)N[C@@H]1CC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001573835118 950033234 /nfs/dbraw/zinc/03/32/34/950033234.db2.gz OWZPOKNEMCUEAH-BFHYXJOUSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2ccccc2F)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575891905 950039559 /nfs/dbraw/zinc/03/95/59/950039559.db2.gz PGEPGOMZVLLQDV-BXUZGUMPSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2ccccc2F)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575891905 950039580 /nfs/dbraw/zinc/03/95/80/950039580.db2.gz PGEPGOMZVLLQDV-BXUZGUMPSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CCCCC1 ZINC001574491758 950043181 /nfs/dbraw/zinc/04/31/81/950043181.db2.gz FNQPPPRJLPQLDT-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CCCCC1 ZINC001574491758 950043202 /nfs/dbraw/zinc/04/32/02/950043202.db2.gz FNQPPPRJLPQLDT-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001574491795 950045383 /nfs/dbraw/zinc/04/53/83/950045383.db2.gz GDMYMXIGPCVAAX-NXEZZACHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574491795 950045401 /nfs/dbraw/zinc/04/54/01/950045401.db2.gz GDMYMXIGPCVAAX-NXEZZACHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](CC(=O)N[C@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1 ZINC001574492120 950059685 /nfs/dbraw/zinc/05/96/85/950059685.db2.gz JLRQLFQXONAUPJ-JLTOFOAXSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H](CC(=O)N[C@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1 ZINC001574492120 950059698 /nfs/dbraw/zinc/05/96/98/950059698.db2.gz JLRQLFQXONAUPJ-JLTOFOAXSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H]1CCN(C(=O)COC(C)(C)C)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576182890 950069225 /nfs/dbraw/zinc/06/92/25/950069225.db2.gz NWIGLBTXEOKEDL-QWHCGFSZSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@H]1CCN(C(=O)COC(C)(C)C)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576182890 950069245 /nfs/dbraw/zinc/06/92/45/950069245.db2.gz NWIGLBTXEOKEDL-QWHCGFSZSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nn1)C1CCCCC1 ZINC001574492343 950075686 /nfs/dbraw/zinc/07/56/86/950075686.db2.gz AJQGHGLSTMTXEC-OCCSQVGLSA-N -1 1 388.476 1.152 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nn1)C1CCCCC1 ZINC001574492343 950075707 /nfs/dbraw/zinc/07/57/07/950075707.db2.gz AJQGHGLSTMTXEC-OCCSQVGLSA-N -1 1 388.476 1.152 20 0 GDADMM C[C@H](CN(C)C(=O)Cn1cccn1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574732562 950076423 /nfs/dbraw/zinc/07/64/23/950076423.db2.gz KCGBUVGMASBORH-MRVPVSSYSA-N -1 1 381.853 1.132 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(CCF)CC2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576183324 950078332 /nfs/dbraw/zinc/07/83/32/950078332.db2.gz PIGZJVBBHXPMIF-OLZOCXBDSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(CCF)CC2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576183324 950078361 /nfs/dbraw/zinc/07/83/61/950078361.db2.gz PIGZJVBBHXPMIF-OLZOCXBDSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1 ZINC001574492332 950079731 /nfs/dbraw/zinc/07/97/31/950079731.db2.gz MCWIBURMTKTSGM-HIFRSBDPSA-N -1 1 378.440 1.545 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1 ZINC001574492332 950079750 /nfs/dbraw/zinc/07/97/50/950079750.db2.gz MCWIBURMTKTSGM-HIFRSBDPSA-N -1 1 378.440 1.545 20 0 GDADMM C[C@H](CC(=O)N[C@]12CCC[C@@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2)C1CC1 ZINC001574492439 950080329 /nfs/dbraw/zinc/08/03/29/950080329.db2.gz MTUIIVXEWMCSMM-UHYGZKCKSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H](CN(C)C(=O)Cn1ccnc1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574733144 950096792 /nfs/dbraw/zinc/09/67/92/950096792.db2.gz TVSUOPNHMTVCML-MRVPVSSYSA-N -1 1 381.853 1.132 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cc(F)c[nH]2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576183756 950100490 /nfs/dbraw/zinc/10/04/90/950100490.db2.gz ULDBLWQDUIGODV-GXFFZTMASA-N -1 1 385.407 1.477 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cc(F)c[nH]2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576183756 950100504 /nfs/dbraw/zinc/10/05/04/950100504.db2.gz ULDBLWQDUIGODV-GXFFZTMASA-N -1 1 385.407 1.477 20 0 GDADMM C[C@@H](CN(C)C(=O)Cn1cccn1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574733275 950104177 /nfs/dbraw/zinc/10/41/77/950104177.db2.gz XMMYOSYXFYLSMA-QMMMGPOBSA-N -1 1 381.853 1.132 20 0 GDADMM C[C@@H](CN(C)C(=O)Cn1cccn1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574733275 950104190 /nfs/dbraw/zinc/10/41/90/950104190.db2.gz XMMYOSYXFYLSMA-QMMMGPOBSA-N -1 1 381.853 1.132 20 0 GDADMM CC(C)(C)CC(C)(C)C(=O)NC[C@H](CO)Nc1cncc(-c2nnn[n-]2)n1 ZINC001573838430 950114398 /nfs/dbraw/zinc/11/43/98/950114398.db2.gz DCYIQDIZXNOCDW-LLVKDONJSA-N -1 1 376.465 1.008 20 0 GDADMM CC(C)(C)CC(C)(C)C(=O)NC[C@H](CO)Nc1cncc(-c2nn[n-]n2)n1 ZINC001573838430 950114412 /nfs/dbraw/zinc/11/44/12/950114412.db2.gz DCYIQDIZXNOCDW-LLVKDONJSA-N -1 1 376.465 1.008 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccncc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574733523 950115136 /nfs/dbraw/zinc/11/51/36/950115136.db2.gz DAORWODFJXHWIB-KWCYVHTRSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccncc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574733523 950115146 /nfs/dbraw/zinc/11/51/46/950115146.db2.gz DAORWODFJXHWIB-KWCYVHTRSA-N -1 1 379.428 1.114 20 0 GDADMM CC1(C(=O)NC[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)CCCCC1 ZINC001575582510 950115315 /nfs/dbraw/zinc/11/53/15/950115315.db2.gz DZBPMFKOOPISEC-AWEZNQCLSA-N -1 1 384.488 1.960 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccon2)[C@@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576184278 950118079 /nfs/dbraw/zinc/11/80/79/950118079.db2.gz VSZGNEXMGSTGFM-SMDDNHRTSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccon2)[C@@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576184278 950118088 /nfs/dbraw/zinc/11/80/88/950118088.db2.gz VSZGNEXMGSTGFM-SMDDNHRTSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@@H](CC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)c1ccco1 ZINC001574493242 950122884 /nfs/dbraw/zinc/12/28/84/950122884.db2.gz RGCBJJFEZNDPID-LBPRGKRZSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](CC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)c1ccco1 ZINC001574493242 950122907 /nfs/dbraw/zinc/12/29/07/950122907.db2.gz RGCBJJFEZNDPID-LBPRGKRZSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(F)CCCC2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576184638 950137254 /nfs/dbraw/zinc/13/72/54/950137254.db2.gz WMKCBWQYKXWFBQ-CHWSQXEVSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(F)CCCC2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576184638 950137270 /nfs/dbraw/zinc/13/72/70/950137270.db2.gz WMKCBWQYKXWFBQ-CHWSQXEVSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@H]1CCN(C(=O)C2(F)CCCC2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576184640 950138946 /nfs/dbraw/zinc/13/89/46/950138946.db2.gz WMKCBWQYKXWFBQ-QWHCGFSZSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@H]1CCN(C(=O)C2(F)CCCC2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576184640 950138960 /nfs/dbraw/zinc/13/89/60/950138960.db2.gz WMKCBWQYKXWFBQ-QWHCGFSZSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H](CO)Nc1nccnc1-c1nnn[n-]1)C1CCCCC1 ZINC001574493852 950140564 /nfs/dbraw/zinc/14/05/64/950140564.db2.gz IGFOSDHWCIWKPV-JSGCOSHPSA-N -1 1 388.476 1.152 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H](CO)Nc1nccnc1-c1nn[n-]n1)C1CCCCC1 ZINC001574493852 950140580 /nfs/dbraw/zinc/14/05/80/950140580.db2.gz IGFOSDHWCIWKPV-JSGCOSHPSA-N -1 1 388.476 1.152 20 0 GDADMM C[C@@H](CC(=O)NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574494237 950155666 /nfs/dbraw/zinc/15/56/66/950155666.db2.gz YBGDOJLCAJCFNG-HIFPTAJRSA-N -1 1 382.428 1.172 20 0 GDADMM C[C@H](CNC(=O)c1c[nH]c2ccc(F)cc12)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574982531 950172888 /nfs/dbraw/zinc/17/28/88/950172888.db2.gz CSMDHFQGNQCMSQ-SECBINFHSA-N -1 1 381.375 1.508 20 0 GDADMM C[C@H](CNC(=O)c1c[nH]c2ccc(F)cc12)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574982531 950172904 /nfs/dbraw/zinc/17/29/04/950172904.db2.gz CSMDHFQGNQCMSQ-SECBINFHSA-N -1 1 381.375 1.508 20 0 GDADMM CC(C)[C@H](CNC(=O)C[C@H](C)c1ccco1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574494602 950174683 /nfs/dbraw/zinc/17/46/83/950174683.db2.gz LUAVKGZFICDBDK-JSGCOSHPSA-N -1 1 384.444 1.996 20 0 GDADMM CC(C)[C@H](CNC(=O)C[C@H](C)c1ccco1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574494602 950174700 /nfs/dbraw/zinc/17/47/00/950174700.db2.gz LUAVKGZFICDBDK-JSGCOSHPSA-N -1 1 384.444 1.996 20 0 GDADMM C[C@H]1CCN(C(=O)c2cccn2C)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576191503 950200203 /nfs/dbraw/zinc/20/02/03/950200203.db2.gz IFWCHFVGHPMOAD-QWHCGFSZSA-N -1 1 381.444 1.206 20 0 GDADMM C[C@H]1CCN(C(=O)c2cccn2C)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576191503 950200214 /nfs/dbraw/zinc/20/02/14/950200214.db2.gz IFWCHFVGHPMOAD-QWHCGFSZSA-N -1 1 381.444 1.206 20 0 GDADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)C(F)(F)F ZINC001574155581 950202563 /nfs/dbraw/zinc/20/25/63/950202563.db2.gz OHFBMFXTWVTXCJ-ZJUUUORDSA-N -1 1 386.382 1.220 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2ncccc2[O-])CCCN1c1ncccc1-c1nn[nH]n1 ZINC001575901239 950224201 /nfs/dbraw/zinc/22/42/01/950224201.db2.gz MPLXZEWVWDOFBZ-DGCLKSJQSA-N -1 1 380.412 1.150 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccccc2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576192167 950226648 /nfs/dbraw/zinc/22/66/48/950226648.db2.gz MGPVQSQWSMQMJI-UKRRQHHQSA-N -1 1 378.440 1.867 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccccc2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576192167 950226669 /nfs/dbraw/zinc/22/66/69/950226669.db2.gz MGPVQSQWSMQMJI-UKRRQHHQSA-N -1 1 378.440 1.867 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccsc2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576192116 950229711 /nfs/dbraw/zinc/22/97/11/950229711.db2.gz JXLPEDDQBHCIMC-DGCLKSJQSA-N -1 1 384.469 1.929 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccsc2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576192116 950229727 /nfs/dbraw/zinc/22/97/27/950229727.db2.gz JXLPEDDQBHCIMC-DGCLKSJQSA-N -1 1 384.469 1.929 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccn(C)c2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576192280 950237329 /nfs/dbraw/zinc/23/73/29/950237329.db2.gz LRTHRXIRYNRRSL-GXTWGEPZSA-N -1 1 381.444 1.206 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccn(C)c2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576192280 950237347 /nfs/dbraw/zinc/23/73/47/950237347.db2.gz LRTHRXIRYNRRSL-GXTWGEPZSA-N -1 1 381.444 1.206 20 0 GDADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccc(F)s1 ZINC001574157649 950246182 /nfs/dbraw/zinc/24/61/82/950246182.db2.gz FVRAMTQABQYYBA-JTQLQIEISA-N -1 1 390.448 1.536 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573846656 950248438 /nfs/dbraw/zinc/24/84/38/950248438.db2.gz TZQYBADHDNZQPU-GXTWGEPZSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573846656 950248450 /nfs/dbraw/zinc/24/84/50/950248450.db2.gz TZQYBADHDNZQPU-GXTWGEPZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](CN(C)C(=O)c1c2ccccc2nn1C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574741665 950249374 /nfs/dbraw/zinc/24/93/74/950249374.db2.gz KJPWWOHESUIRDT-NSHDSACASA-N -1 1 392.427 1.116 20 0 GDADMM C[C@@H](CN(C)C(=O)c1c2ccccc2nn1C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574741665 950249389 /nfs/dbraw/zinc/24/93/89/950249389.db2.gz KJPWWOHESUIRDT-NSHDSACASA-N -1 1 392.427 1.116 20 0 GDADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccc(F)cc1 ZINC001574158274 950277780 /nfs/dbraw/zinc/27/77/80/950277780.db2.gz QDOIVMYCIFCKDK-AWEZNQCLSA-N -1 1 384.419 1.474 20 0 GDADMM C[C@]1(C(=O)NCCOCCCNc2cnc(-c3nnn[n-]3)cn2)CC=CCC1 ZINC001575592294 950285495 /nfs/dbraw/zinc/28/54/95/950285495.db2.gz GZFYYFBAPPOLRT-SFHVURJKSA-N -1 1 386.460 1.338 20 0 GDADMM C[C@]1(C(=O)NCCOCCCNc2cnc(-c3nn[n-]n3)cn2)CC=CCC1 ZINC001575592294 950285514 /nfs/dbraw/zinc/28/55/14/950285514.db2.gz GZFYYFBAPPOLRT-SFHVURJKSA-N -1 1 386.460 1.338 20 0 GDADMM C[C@@]1(C(=O)NCCOCCCNc2cnc(-c3nnn[n-]3)cn2)CC=CCC1 ZINC001575592293 950285708 /nfs/dbraw/zinc/28/57/08/950285708.db2.gz GZFYYFBAPPOLRT-GOSISDBHSA-N -1 1 386.460 1.338 20 0 GDADMM C[C@@]1(C(=O)NCCOCCCNc2cnc(-c3nn[n-]n3)cn2)CC=CCC1 ZINC001575592293 950285728 /nfs/dbraw/zinc/28/57/28/950285728.db2.gz GZFYYFBAPPOLRT-GOSISDBHSA-N -1 1 386.460 1.338 20 0 GDADMM CC1(C(=O)NCC[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC(F)(F)C1 ZINC001575592634 950294145 /nfs/dbraw/zinc/29/41/45/950294145.db2.gz IDUPYOPAAVZIRH-NSHDSACASA-N -1 1 392.414 1.425 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](O)CNc1snc(Cl)c1-c1nnn[n-]1)C1CC1 ZINC001574499383 950299968 /nfs/dbraw/zinc/29/99/68/950299968.db2.gz UFRNBWCOSWBKSR-CBAPKCEASA-N -1 1 385.881 1.302 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](O)CNc1snc(Cl)c1-c1nn[n-]n1)C1CC1 ZINC001574499383 950299992 /nfs/dbraw/zinc/29/99/92/950299992.db2.gz UFRNBWCOSWBKSR-CBAPKCEASA-N -1 1 385.881 1.302 20 0 GDADMM CC1(C(=O)NC[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)CCC2(F)F)CCC1 ZINC001575593032 950303142 /nfs/dbraw/zinc/30/31/42/950303142.db2.gz FDKDHARPTMRAQX-LLVKDONJSA-N -1 1 392.414 1.425 20 0 GDADMM CC1(C(=O)NC[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)CCC2(F)F)CCC1 ZINC001575593032 950303163 /nfs/dbraw/zinc/30/31/63/950303163.db2.gz FDKDHARPTMRAQX-LLVKDONJSA-N -1 1 392.414 1.425 20 0 GDADMM C[C@H](CC(=O)NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001574499448 950303693 /nfs/dbraw/zinc/30/36/93/950303693.db2.gz VQYYTHUPXCESMZ-IYXRBSQSSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](CC(=O)NCC1CC(Nc2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574499448 950303715 /nfs/dbraw/zinc/30/37/15/950303715.db2.gz VQYYTHUPXCESMZ-IYXRBSQSSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1)c1ccncc1 ZINC001574499468 950304509 /nfs/dbraw/zinc/30/45/09/950304509.db2.gz WEIIICPRQZGKAX-LBPRGKRZSA-N -1 1 379.428 1.306 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1)c1ccncc1 ZINC001574499468 950304528 /nfs/dbraw/zinc/30/45/28/950304528.db2.gz WEIIICPRQZGKAX-LBPRGKRZSA-N -1 1 379.428 1.306 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCOCC1)C1CC1 ZINC001574499768 950306299 /nfs/dbraw/zinc/30/62/99/950306299.db2.gz WUEYLQBZJONOPJ-LBPRGKRZSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCOCC1)C1CC1 ZINC001574499768 950306320 /nfs/dbraw/zinc/30/63/20/950306320.db2.gz WUEYLQBZJONOPJ-LBPRGKRZSA-N -1 1 386.460 1.170 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[C@H]1CCCOC1 ZINC001574159376 950307906 /nfs/dbraw/zinc/30/79/06/950307906.db2.gz GLFJLRLYWJSVJG-ZIAGYGMSSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[C@H]1CCCOC1 ZINC001574159376 950307917 /nfs/dbraw/zinc/30/79/17/950307917.db2.gz GLFJLRLYWJSVJG-ZIAGYGMSSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cscn2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576193903 950318076 /nfs/dbraw/zinc/31/80/76/950318076.db2.gz VXCHGZIOJPQMGD-GHMZBOCLSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cscn2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576193903 950318096 /nfs/dbraw/zinc/31/80/96/950318096.db2.gz VXCHGZIOJPQMGD-GHMZBOCLSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1)c1ccco1 ZINC001574501687 950343686 /nfs/dbraw/zinc/34/36/86/950343686.db2.gz GGZOVDMGFFYHBX-CHWSQXEVSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1)c1ccco1 ZINC001574501687 950343705 /nfs/dbraw/zinc/34/37/05/950343705.db2.gz GGZOVDMGFFYHBX-CHWSQXEVSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC001574501920 950348678 /nfs/dbraw/zinc/34/86/78/950348678.db2.gz HMHLDQMXYYUBCC-CHWSQXEVSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC001574501920 950348704 /nfs/dbraw/zinc/34/87/04/950348704.db2.gz HMHLDQMXYYUBCC-CHWSQXEVSA-N -1 1 382.428 1.529 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cc1cncs1 ZINC001574160919 950349447 /nfs/dbraw/zinc/34/94/47/950349447.db2.gz QZFLPAXAWQHSQT-NSHDSACASA-N -1 1 387.473 1.299 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cc1cncs1 ZINC001574160919 950349469 /nfs/dbraw/zinc/34/94/69/950349469.db2.gz QZFLPAXAWQHSQT-NSHDSACASA-N -1 1 387.473 1.299 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H](C)C(F)(F)F ZINC001574161836 950367533 /nfs/dbraw/zinc/36/75/33/950367533.db2.gz YEEMCTVWEHOYCG-NXEZZACHSA-N -1 1 386.382 1.798 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)C(F)(F)F ZINC001574161836 950367556 /nfs/dbraw/zinc/36/75/56/950367556.db2.gz YEEMCTVWEHOYCG-NXEZZACHSA-N -1 1 386.382 1.798 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ncccc1F ZINC001574162082 950375795 /nfs/dbraw/zinc/37/57/95/950375795.db2.gz YWLQRYYLEPGSQY-LLVKDONJSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ncccc1F ZINC001574162082 950375804 /nfs/dbraw/zinc/37/58/04/950375804.db2.gz YWLQRYYLEPGSQY-LLVKDONJSA-N -1 1 385.407 1.447 20 0 GDADMM CC1(C(=O)NC[C@@H]2CN(c3snc(Cl)c3-c3nnn[n-]3)CCO2)CC1 ZINC001575596588 950383294 /nfs/dbraw/zinc/38/32/94/950383294.db2.gz TWENKSGUSSHBBQ-MRVPVSSYSA-N -1 1 383.865 1.098 20 0 GDADMM CC1(C(=O)NC[C@@H]2CN(c3snc(Cl)c3-c3nn[n-]n3)CCO2)CC1 ZINC001575596588 950383318 /nfs/dbraw/zinc/38/33/18/950383318.db2.gz TWENKSGUSSHBBQ-MRVPVSSYSA-N -1 1 383.865 1.098 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@@H]1CCCOC1 ZINC001574162737 950399628 /nfs/dbraw/zinc/39/96/28/950399628.db2.gz HZMOKBHWHCZXAB-UONOGXRCSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@@H]1CCCOC1 ZINC001574162737 950399637 /nfs/dbraw/zinc/39/96/37/950399637.db2.gz HZMOKBHWHCZXAB-UONOGXRCSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cc(Cl)no1 ZINC001574162821 950406013 /nfs/dbraw/zinc/40/60/13/950406013.db2.gz JNQMCLLRSZNYFY-VIFPVBQESA-N -1 1 391.823 1.555 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cc(Cl)no1 ZINC001574162821 950406023 /nfs/dbraw/zinc/40/60/23/950406023.db2.gz JNQMCLLRSZNYFY-VIFPVBQESA-N -1 1 391.823 1.555 20 0 GDADMM CC(C)(C)OC(=O)N1CCO[C@](C)(CNC(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001573857714 950411742 /nfs/dbraw/zinc/41/17/42/950411742.db2.gz XQHXWMMBQFPMNX-QGZVFWFLSA-N -1 1 392.416 1.216 20 0 GDADMM CC(C)(C)OC(=O)N1CCO[C@](C)(CNC(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001573857714 950411750 /nfs/dbraw/zinc/41/17/50/950411750.db2.gz XQHXWMMBQFPMNX-QGZVFWFLSA-N -1 1 392.416 1.216 20 0 GDADMM CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001573861077 950435831 /nfs/dbraw/zinc/43/58/31/950435831.db2.gz RSTYLLSTVXDTRQ-SGTLLEGYSA-N -1 1 386.460 1.788 20 0 GDADMM CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001573861077 950435853 /nfs/dbraw/zinc/43/58/53/950435853.db2.gz RSTYLLSTVXDTRQ-SGTLLEGYSA-N -1 1 386.460 1.788 20 0 GDADMM CC(C)CC1(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CCCC1 ZINC001574165312 950444374 /nfs/dbraw/zinc/44/43/74/950444374.db2.gz CXAHVZKATGUELC-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cccc(-c3nnn[n-]3)n2)CC[C@H]1F ZINC001573861815 950454441 /nfs/dbraw/zinc/45/44/41/950454441.db2.gz HXMQOTUSBGGXFJ-ZWNOBZJWSA-N -1 1 391.407 1.339 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2cccc(-c3nn[n-]n3)n2)CC[C@H]1F ZINC001573861815 950454453 /nfs/dbraw/zinc/45/44/53/950454453.db2.gz HXMQOTUSBGGXFJ-ZWNOBZJWSA-N -1 1 391.407 1.339 20 0 GDADMM CC(C)CC1(C(=O)NC[C@H](O)CNc2cnc(-c3nnn[n-]3)cn2)CCCC1 ZINC001574165851 950455175 /nfs/dbraw/zinc/45/51/75/950455175.db2.gz KMHWMLVEYOVXQO-CYBMUJFWSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)CC1(C(=O)NC[C@H](O)CNc2cnc(-c3nn[n-]n3)cn2)CCCC1 ZINC001574165851 950455194 /nfs/dbraw/zinc/45/51/94/950455194.db2.gz KMHWMLVEYOVXQO-CYBMUJFWSA-N -1 1 388.476 1.152 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc2n(c1)CCCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574751274 950457098 /nfs/dbraw/zinc/45/70/98/950457098.db2.gz MRNKHEHSVPIXJP-GFCCVEGCSA-N -1 1 381.444 1.367 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc2n(c1)CCCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574751274 950457107 /nfs/dbraw/zinc/45/71/07/950457107.db2.gz MRNKHEHSVPIXJP-GFCCVEGCSA-N -1 1 381.444 1.367 20 0 GDADMM CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001573862116 950460018 /nfs/dbraw/zinc/46/00/18/950460018.db2.gz NHNROLVGXWIXCS-NSHDSACASA-N -1 1 388.432 1.783 20 0 GDADMM CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001573862116 950460036 /nfs/dbraw/zinc/46/00/36/950460036.db2.gz NHNROLVGXWIXCS-NSHDSACASA-N -1 1 388.432 1.783 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)[C@H]1CCCO1 ZINC001574508096 950469093 /nfs/dbraw/zinc/46/90/93/950469093.db2.gz MKNZXWPJZNSKTQ-XDQVBPFNSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)[C@H]1CCCO1 ZINC001574508096 950469112 /nfs/dbraw/zinc/46/91/12/950469112.db2.gz MKNZXWPJZNSKTQ-XDQVBPFNSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@H](CC(=O)NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1)n1cccc1 ZINC001574508173 950472545 /nfs/dbraw/zinc/47/25/45/950472545.db2.gz JZOVOHASYVIHCK-CYBMUJFWSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@]1(C(=O)N[C@H]2CCN(c3nc(Cl)c(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575605732 950475230 /nfs/dbraw/zinc/47/52/30/950475230.db2.gz RCLQXABFBJYQEW-RMLUDKJBSA-N -1 1 383.865 1.098 20 0 GDADMM C[C@@]1(C(=O)N[C@H]2CCN(c3nc(Cl)c(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575605732 950475235 /nfs/dbraw/zinc/47/52/35/950475235.db2.gz RCLQXABFBJYQEW-RMLUDKJBSA-N -1 1 383.865 1.098 20 0 GDADMM CC(C)CC1(C(=O)NCCN(c2nccnc2-c2nnn[n-]2)C2CC2)CCC1 ZINC001574166764 950476466 /nfs/dbraw/zinc/47/64/66/950476466.db2.gz YMLJMMBGZUKYET-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CC1(C(=O)NCCN(c2nccnc2-c2nn[n-]n2)C2CC2)CCC1 ZINC001574166764 950476479 /nfs/dbraw/zinc/47/64/79/950476479.db2.gz YMLJMMBGZUKYET-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C)OC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001573863404 950479853 /nfs/dbraw/zinc/47/98/53/950479853.db2.gz HDXAVPYWKAPGKO-JTQLQIEISA-N -1 1 383.430 1.202 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc2ccccc2[nH]1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574752734 950495804 /nfs/dbraw/zinc/49/58/04/950495804.db2.gz ZPULOTLAUUKWBC-LLVKDONJSA-N -1 1 377.412 1.711 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc2ccccc2[nH]1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574752734 950495815 /nfs/dbraw/zinc/49/58/15/950495815.db2.gz ZPULOTLAUUKWBC-LLVKDONJSA-N -1 1 377.412 1.711 20 0 GDADMM C[C@@H](CC(=O)NCCN(c1cnc(-c2nnn[n-]2)cn1)C1CC1)C(F)(F)F ZINC001574509009 950496266 /nfs/dbraw/zinc/49/62/66/950496266.db2.gz NVJUYGQTKLVNHI-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](CC(=O)NCCN(c1cnc(-c2nn[n-]n2)cn1)C1CC1)C(F)(F)F ZINC001574509009 950496281 /nfs/dbraw/zinc/49/62/81/950496281.db2.gz NVJUYGQTKLVNHI-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CC1CC(F)(F)C1 ZINC001575916212 950534064 /nfs/dbraw/zinc/53/40/64/950534064.db2.gz PUUSAOXSHIMHIL-KOLCDFICSA-N -1 1 378.387 1.493 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CC1CC(F)(F)C1 ZINC001575916212 950534076 /nfs/dbraw/zinc/53/40/76/950534076.db2.gz PUUSAOXSHIMHIL-KOLCDFICSA-N -1 1 378.387 1.493 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C[C@H](C)c1ccccc1F ZINC001574509860 950537218 /nfs/dbraw/zinc/53/72/18/950537218.db2.gz ZLVUCVQZHRRPJD-RYUDHWBXSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@H](C)c1ccccc1F ZINC001574509860 950537231 /nfs/dbraw/zinc/53/72/31/950537231.db2.gz ZLVUCVQZHRRPJD-RYUDHWBXSA-N -1 1 384.419 1.906 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@]12CCC[C@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001573868878 950545305 /nfs/dbraw/zinc/54/53/05/950545305.db2.gz HBORWRPAIIJTGF-FZKQIMNGSA-N -1 1 386.460 1.089 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@]12CCC[C@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001573868878 950545327 /nfs/dbraw/zinc/54/53/27/950545327.db2.gz HBORWRPAIIJTGF-FZKQIMNGSA-N -1 1 386.460 1.089 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C)C(F)(F)F ZINC001574511381 950562890 /nfs/dbraw/zinc/56/28/90/950562890.db2.gz JFRJMLUDYBGDKI-FXPVBKGRSA-N -1 1 384.366 1.186 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C)C(F)(F)F ZINC001574511381 950562903 /nfs/dbraw/zinc/56/29/03/950562903.db2.gz JFRJMLUDYBGDKI-FXPVBKGRSA-N -1 1 384.366 1.186 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc2cnccc2n1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574754123 950563882 /nfs/dbraw/zinc/56/38/82/950563882.db2.gz YCLQIOSUCVSWTA-NSHDSACASA-N -1 1 390.411 1.173 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc2cnccc2n1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574754123 950563895 /nfs/dbraw/zinc/56/38/95/950563895.db2.gz YCLQIOSUCVSWTA-NSHDSACASA-N -1 1 390.411 1.173 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C)c1ccco1 ZINC001574513175 950595262 /nfs/dbraw/zinc/59/52/62/950595262.db2.gz IWVXORKDCBELQC-UPJWGTAASA-N -1 1 382.428 1.527 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C)c1ccco1 ZINC001574513175 950595278 /nfs/dbraw/zinc/59/52/78/950595278.db2.gz IWVXORKDCBELQC-UPJWGTAASA-N -1 1 382.428 1.527 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001575617206 950595885 /nfs/dbraw/zinc/59/58/85/950595885.db2.gz YCSLKNPYUBZSIS-UHFFFAOYSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001575617206 950595900 /nfs/dbraw/zinc/59/59/00/950595900.db2.gz YCSLKNPYUBZSIS-UHFFFAOYSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)CCC(=O)N1CCC[C@@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001574173897 950607973 /nfs/dbraw/zinc/60/79/73/950607973.db2.gz OSMXRKBTZQYWCA-IBGZPJMESA-N -1 1 384.488 1.912 20 0 GDADMM C[C@H](CNC(=O)c1cc2c([nH]1)CCCC2)CNc1nccnc1-c1nnn[n-]1 ZINC001575001274 950629355 /nfs/dbraw/zinc/62/93/55/950629355.db2.gz JRQABRJTRNSELU-NSHDSACASA-N -1 1 381.444 1.342 20 0 GDADMM C[C@H](CNC(=O)c1cc2c([nH]1)CCCC2)CNc1nccnc1-c1nn[n-]n1 ZINC001575001274 950629364 /nfs/dbraw/zinc/62/93/64/950629364.db2.gz JRQABRJTRNSELU-NSHDSACASA-N -1 1 381.444 1.342 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccn(C)c1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574759194 950630327 /nfs/dbraw/zinc/63/03/27/950630327.db2.gz LSQXCKFGAPEWTF-MRVPVSSYSA-N -1 1 380.865 1.888 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccn(C)c1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574759194 950630338 /nfs/dbraw/zinc/63/03/38/950630338.db2.gz LSQXCKFGAPEWTF-MRVPVSSYSA-N -1 1 380.865 1.888 20 0 GDADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(Cl)cs1 ZINC001575920258 950631582 /nfs/dbraw/zinc/63/15/82/950631582.db2.gz LZJHLZLMYQLYEM-WCBMZHEXSA-N -1 1 390.860 1.509 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)ccc1Cl)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575001504 950633202 /nfs/dbraw/zinc/63/32/02/950633202.db2.gz LTOZQUUIAWCYIR-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)ccc1Cl)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575001504 950633214 /nfs/dbraw/zinc/63/32/14/950633214.db2.gz LTOZQUUIAWCYIR-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM CC(C)(C)OCc1cccc(NC(=O)NCCn2cnc(-c3nn[n-]n3)n2)c1 ZINC001573873289 950641378 /nfs/dbraw/zinc/64/13/78/950641378.db2.gz GZFBYMUXDHMHJJ-UHFFFAOYSA-N -1 1 385.432 1.595 20 0 GDADMM C[C@@H](CNC(=O)c1cc2c(o1)CCCC2)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575001917 950644813 /nfs/dbraw/zinc/64/48/13/950644813.db2.gz PFYYYWRFXLJQFB-NSHDSACASA-N -1 1 382.428 1.383 20 0 GDADMM C[C@@H](CNC(=O)c1cc2c(o1)CCCC2)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575001917 950644829 /nfs/dbraw/zinc/64/48/29/950644829.db2.gz PFYYYWRFXLJQFB-NSHDSACASA-N -1 1 382.428 1.383 20 0 GDADMM CC1(C)C2CCC1(C(=O)N[C@@H]1CCN(c3ccc(-c4nnn[n-]4)nn3)C1)CC2 ZINC001575623297 950647909 /nfs/dbraw/zinc/64/79/09/950647909.db2.gz JLCFENFWZDJXKN-FWHMADFJSA-N -1 1 382.472 1.568 20 0 GDADMM CC1(C)C2CCC1(C(=O)N[C@@H]1CCN(c3ccc(-c4nn[n-]n4)nn3)C1)CC2 ZINC001575623297 950647924 /nfs/dbraw/zinc/64/79/24/950647924.db2.gz JLCFENFWZDJXKN-FWHMADFJSA-N -1 1 382.472 1.568 20 0 GDADMM CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2cc(C(=O)[O-])n[nH]2)CC1 ZINC001589744409 950653006 /nfs/dbraw/zinc/65/30/06/950653006.db2.gz OKUGFUXQBSBWLF-GFCCVEGCSA-N -1 1 389.431 1.880 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccn(C(C)(C)C)n1)Nc1nccnc1-c1nnn[n-]1 ZINC001574760602 950673653 /nfs/dbraw/zinc/67/36/53/950673653.db2.gz XJWVEKIAJKEFQD-LLVKDONJSA-N -1 1 384.448 1.181 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccn(C(C)(C)C)n1)Nc1nccnc1-c1nn[n-]n1 ZINC001574760602 950673665 /nfs/dbraw/zinc/67/36/65/950673665.db2.gz XJWVEKIAJKEFQD-LLVKDONJSA-N -1 1 384.448 1.181 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cn(C)cn1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574760855 950683232 /nfs/dbraw/zinc/68/32/32/950683232.db2.gz NCWRXMJQTMXMKA-ZETCQYMHSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cn(C)cn1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574760855 950683243 /nfs/dbraw/zinc/68/32/43/950683243.db2.gz NCWRXMJQTMXMKA-ZETCQYMHSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C(F)F)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576215400 950699451 /nfs/dbraw/zinc/69/94/51/950699451.db2.gz BADGZUNGMRQZRF-UWVGGRQHSA-N -1 1 380.403 1.454 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C(F)F)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576215400 950699463 /nfs/dbraw/zinc/69/94/63/950699463.db2.gz BADGZUNGMRQZRF-UWVGGRQHSA-N -1 1 380.403 1.454 20 0 GDADMM CC1(C)CC(C(=O)N2CCC[C@@H](CCNc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001575625861 950700588 /nfs/dbraw/zinc/70/05/88/950700588.db2.gz YUVAURBHSWNXRE-ZDUSSCGKSA-N -1 1 384.488 1.555 20 0 GDADMM C[C@@H]1CN(C(=O)C(C2CC2)C2CC2)CC[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576215856 950716161 /nfs/dbraw/zinc/71/61/61/950716161.db2.gz BXLZMMCPAYWVOU-BXUZGUMPSA-N -1 1 382.472 1.742 20 0 GDADMM C[C@@H]1CN(C(=O)C(C2CC2)C2CC2)CC[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576215856 950716166 /nfs/dbraw/zinc/71/61/66/950716166.db2.gz BXLZMMCPAYWVOU-BXUZGUMPSA-N -1 1 382.472 1.742 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573878724 950717574 /nfs/dbraw/zinc/71/75/74/950717574.db2.gz ZEQDAWINEOHGSZ-BFHYXJOUSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573878724 950717587 /nfs/dbraw/zinc/71/75/87/950717587.db2.gz ZEQDAWINEOHGSZ-BFHYXJOUSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccoc1C1CC1 ZINC001575926645 950719426 /nfs/dbraw/zinc/71/94/26/950719426.db2.gz KVNFBEBOSMWQKM-MFKMUULPSA-N -1 1 380.412 1.842 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccoc1C1CC1 ZINC001575926645 950719441 /nfs/dbraw/zinc/71/94/41/950719441.db2.gz KVNFBEBOSMWQKM-MFKMUULPSA-N -1 1 380.412 1.842 20 0 GDADMM CC1(C)CC(C(=O)N[C@H]2CC23CCN(c2cncc(-c4nnn[n-]4)n2)CC3)C1 ZINC001575628531 950724437 /nfs/dbraw/zinc/72/44/37/950724437.db2.gz FCRSZHZDTPVEGA-AWEZNQCLSA-N -1 1 382.472 1.568 20 0 GDADMM CC1(C)CC(C(=O)N[C@H]2CC23CCN(c2cncc(-c4nn[n-]n4)n2)CC3)C1 ZINC001575628531 950724453 /nfs/dbraw/zinc/72/44/53/950724453.db2.gz FCRSZHZDTPVEGA-AWEZNQCLSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)CC(C)(C)C ZINC001574520410 950730552 /nfs/dbraw/zinc/73/05/52/950730552.db2.gz RGIGBNGQZVLSEG-CXTNEJHOSA-N -1 1 384.488 1.670 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)CC(C)(C)C ZINC001574520410 950730564 /nfs/dbraw/zinc/73/05/64/950730564.db2.gz RGIGBNGQZVLSEG-CXTNEJHOSA-N -1 1 384.488 1.670 20 0 GDADMM CC(C)(C)c1cc(C(=O)NCC2(Nc3cncc(-c4nnn[n-]4)n3)CC2)no1 ZINC001573879880 950731163 /nfs/dbraw/zinc/73/11/63/950731163.db2.gz NBHFSYMEZFDGGV-UHFFFAOYSA-N -1 1 383.416 1.317 20 0 GDADMM CC(C)(C)c1cc(C(=O)NCC2(Nc3cncc(-c4nn[n-]n4)n3)CC2)no1 ZINC001573879880 950731170 /nfs/dbraw/zinc/73/11/70/950731170.db2.gz NBHFSYMEZFDGGV-UHFFFAOYSA-N -1 1 383.416 1.317 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cnn(C(C)(C)C)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574763852 950735756 /nfs/dbraw/zinc/73/57/56/950735756.db2.gz MIKQFKQEFQBSKA-NSHDSACASA-N -1 1 384.448 1.181 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cnn(C(C)(C)C)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574763852 950735764 /nfs/dbraw/zinc/73/57/64/950735764.db2.gz MIKQFKQEFQBSKA-NSHDSACASA-N -1 1 384.448 1.181 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1cncs1 ZINC001575927310 950738082 /nfs/dbraw/zinc/73/80/82/950738082.db2.gz OYXGNZFMFUZDTE-CMPLNLGQSA-N -1 1 385.457 1.147 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1cncs1 ZINC001575927310 950738108 /nfs/dbraw/zinc/73/81/08/950738108.db2.gz OYXGNZFMFUZDTE-CMPLNLGQSA-N -1 1 385.457 1.147 20 0 GDADMM CC1(C)CC(C(=O)NC[C@H]2CCCCCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575629999 950752872 /nfs/dbraw/zinc/75/28/72/950752872.db2.gz XZERTPPCGDKDSO-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CC(C(=O)NC[C@H]2CCCCCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575629999 950752885 /nfs/dbraw/zinc/75/28/85/950752885.db2.gz XZERTPPCGDKDSO-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CC(C(=O)N[C@]23CCC[C@H]2N(c2ccnc(-c4nn[n-]n4)n2)CC3)C1 ZINC001575629989 950754517 /nfs/dbraw/zinc/75/45/17/950754517.db2.gz XUPRCYWWTFQMGB-YJYMSZOUSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576217491 950763763 /nfs/dbraw/zinc/76/37/63/950763763.db2.gz IFDFKASSWLJDQV-MWLCHTKSSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576217491 950763778 /nfs/dbraw/zinc/76/37/78/950763778.db2.gz IFDFKASSWLJDQV-MWLCHTKSSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C(F)(F)F)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576217415 950763902 /nfs/dbraw/zinc/76/39/02/950763902.db2.gz HPUOFACWAGBMFM-PSASIEDQSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C(F)(F)F)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576217415 950763916 /nfs/dbraw/zinc/76/39/16/950763916.db2.gz HPUOFACWAGBMFM-PSASIEDQSA-N -1 1 384.366 1.504 20 0 GDADMM CC(C)c1ncncc1C(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574764851 950764458 /nfs/dbraw/zinc/76/44/58/950764458.db2.gz ZYQDNMDBXXXNAR-NSHDSACASA-N -1 1 382.432 1.143 20 0 GDADMM CC(C)c1ncncc1C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574764851 950764476 /nfs/dbraw/zinc/76/44/76/950764476.db2.gz ZYQDNMDBXXXNAR-NSHDSACASA-N -1 1 382.432 1.143 20 0 GDADMM C[C@@H](CN(C)C(=O)c1nc(Cl)cs1)Nc1nccnc1-c1nnn[n-]1 ZINC001574765260 950780634 /nfs/dbraw/zinc/78/06/34/950780634.db2.gz GZNYHMKACUKPMK-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CN(C)C(=O)c1nc(Cl)cs1)Nc1nccnc1-c1nn[n-]n1 ZINC001574765260 950780652 /nfs/dbraw/zinc/78/06/52/950780652.db2.gz GZNYHMKACUKPMK-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CN(C)C(=O)c1ncsc1C1CC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574765591 950790498 /nfs/dbraw/zinc/79/04/98/950790498.db2.gz FHZTWCGLICEAJT-SECBINFHSA-N -1 1 385.457 1.563 20 0 GDADMM C[C@H](CN(C)C(=O)c1ncsc1C1CC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574765591 950790514 /nfs/dbraw/zinc/79/05/14/950790514.db2.gz FHZTWCGLICEAJT-SECBINFHSA-N -1 1 385.457 1.563 20 0 GDADMM CC(C)(C)c1nc[nH]c1C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001573884312 950792968 /nfs/dbraw/zinc/79/29/68/950792968.db2.gz CQTLWVNBLYECNM-UHFFFAOYSA-N -1 1 382.432 1.052 20 0 GDADMM CC(C)(C)c1nc[nH]c1C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001573884312 950792981 /nfs/dbraw/zinc/79/29/81/950792981.db2.gz CQTLWVNBLYECNM-UHFFFAOYSA-N -1 1 382.432 1.052 20 0 GDADMM CC(C)(C)c1nc[nH]c1C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573884566 950796959 /nfs/dbraw/zinc/79/69/59/950796959.db2.gz FHTNDNJNURMXRH-AOOOYVTPSA-N -1 1 382.432 1.050 20 0 GDADMM CC(C)(C)c1nc[nH]c1C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573884566 950796969 /nfs/dbraw/zinc/79/69/69/950796969.db2.gz FHTNDNJNURMXRH-AOOOYVTPSA-N -1 1 382.432 1.050 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)Cc1cccc(F)c1 ZINC001575931453 950809137 /nfs/dbraw/zinc/80/91/37/950809137.db2.gz HVPHJYKDQHZUQT-RISCZKNCSA-N -1 1 382.403 1.440 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)Cc1cccc(F)c1 ZINC001575931453 950809152 /nfs/dbraw/zinc/80/91/52/950809152.db2.gz HVPHJYKDQHZUQT-RISCZKNCSA-N -1 1 382.403 1.440 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CCC2)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576220100 950827620 /nfs/dbraw/zinc/82/76/20/950827620.db2.gz QJJNOTXGBJLECC-QWRGUYRKSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CCC2)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576220100 950827642 /nfs/dbraw/zinc/82/76/42/950827642.db2.gz QJJNOTXGBJLECC-QWRGUYRKSA-N -1 1 392.414 1.741 20 0 GDADMM CC1(C)C[C@@H](NC(=O)[C@H]2CC2(F)F)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575638562 950836534 /nfs/dbraw/zinc/83/65/34/950836534.db2.gz HTCZOUHGUYDTHR-WDEREUQCSA-N -1 1 392.414 1.423 20 0 GDADMM CC1(C)C[C@@H](NC(=O)[C@H]2CC2(F)F)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575638562 950836556 /nfs/dbraw/zinc/83/65/56/950836556.db2.gz HTCZOUHGUYDTHR-WDEREUQCSA-N -1 1 392.414 1.423 20 0 GDADMM CC(C)CCCC(=O)N1CCC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001574188608 950850180 /nfs/dbraw/zinc/85/01/80/950850180.db2.gz XBRRLKBPQYSVMK-LSDHHAIUSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CCCC(=O)N1CCC[C@@](CO)(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574188648 950855643 /nfs/dbraw/zinc/85/56/43/950855643.db2.gz YPQGVRGVQWIKBW-GOSISDBHSA-N -1 1 388.476 1.248 20 0 GDADMM CC(C)CCCC(=O)N1CCC[C@@](CO)(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574188648 950855666 /nfs/dbraw/zinc/85/56/66/950855666.db2.gz YPQGVRGVQWIKBW-GOSISDBHSA-N -1 1 388.476 1.248 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)COCC1CCCC1 ZINC001575934997 950873784 /nfs/dbraw/zinc/87/37/84/950873784.db2.gz UGPJULOMCUERDX-OCCSQVGLSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)COCC1CCCC1 ZINC001575934997 950873802 /nfs/dbraw/zinc/87/38/02/950873802.db2.gz UGPJULOMCUERDX-OCCSQVGLSA-N -1 1 386.460 1.265 20 0 GDADMM CC1(C)C[C@@H](NC(=O)c2cocn2)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575639913 950881190 /nfs/dbraw/zinc/88/11/90/950881190.db2.gz DFYNGQLWSCWKBB-NSHDSACASA-N -1 1 383.416 1.070 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)COc1ccccc1 ZINC001575935459 950883434 /nfs/dbraw/zinc/88/34/34/950883434.db2.gz WPXYENXRZBYIPD-OCCSQVGLSA-N -1 1 380.412 1.137 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)COc1ccccc1 ZINC001575935459 950883453 /nfs/dbraw/zinc/88/34/53/950883453.db2.gz WPXYENXRZBYIPD-OCCSQVGLSA-N -1 1 380.412 1.137 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCCn1cccc1 ZINC001575935587 950886126 /nfs/dbraw/zinc/88/61/26/950886126.db2.gz YGIZEIHPQGLFDU-UONOGXRCSA-N -1 1 381.444 1.340 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCCn1cccc1 ZINC001575935587 950886145 /nfs/dbraw/zinc/88/61/45/950886145.db2.gz YGIZEIHPQGLFDU-UONOGXRCSA-N -1 1 381.444 1.340 20 0 GDADMM C[C@H]1[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCN1C(=O)c1ccon1 ZINC001575935782 950894365 /nfs/dbraw/zinc/89/43/65/950894365.db2.gz YRWTUKRAXGQALL-NKWVEPMBSA-N -1 1 380.821 1.680 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc2c(c1)CCO2 ZINC001575936783 950925448 /nfs/dbraw/zinc/92/54/48/950925448.db2.gz IGBVCCJLBLBJFD-FZMZJTMJSA-N -1 1 392.423 1.307 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc2c(c1)CCO2 ZINC001575936783 950925466 /nfs/dbraw/zinc/92/54/66/950925466.db2.gz IGBVCCJLBLBJFD-FZMZJTMJSA-N -1 1 392.423 1.307 20 0 GDADMM CC1(C)C[C@H]1C(=O)N1CCC[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001575642532 950944545 /nfs/dbraw/zinc/94/45/45/950944545.db2.gz IDDASPGCUHHVLP-DJJJIMSYSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)C[C@H]1C(=O)N1CCC[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001575642532 950944556 /nfs/dbraw/zinc/94/45/56/950944556.db2.gz IDDASPGCUHHVLP-DJJJIMSYSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)CCOCC2)CC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576228583 950947935 /nfs/dbraw/zinc/94/79/35/950947935.db2.gz HTGVVWDANOAUGS-CHWSQXEVSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)CCOCC2)CC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576228583 950947952 /nfs/dbraw/zinc/94/79/52/950947952.db2.gz HTGVVWDANOAUGS-CHWSQXEVSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)C[C@@H](NC(=O)c2cc[nH]c2)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575643117 950959265 /nfs/dbraw/zinc/95/92/65/950959265.db2.gz YCVYOMXIEJKUSC-ZDUSSCGKSA-N -1 1 381.444 1.410 20 0 GDADMM CC1(C)C[C@@H](NC(=O)c2cc[nH]c2)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575643117 950959285 /nfs/dbraw/zinc/95/92/85/950959285.db2.gz YCVYOMXIEJKUSC-ZDUSSCGKSA-N -1 1 381.444 1.410 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ocnc1C(F)F ZINC001575937727 950959925 /nfs/dbraw/zinc/95/99/25/950959925.db2.gz LLBULNQGMFEJFD-SFYZADRCSA-N -1 1 391.342 1.297 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ocnc1C(F)F ZINC001575937727 950959940 /nfs/dbraw/zinc/95/99/40/950959940.db2.gz LLBULNQGMFEJFD-SFYZADRCSA-N -1 1 391.342 1.297 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001573897812 950966828 /nfs/dbraw/zinc/96/68/28/950966828.db2.gz TVPJQAWUBUUWOM-TZMCWYRMSA-N -1 1 384.488 1.602 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001573898113 950975344 /nfs/dbraw/zinc/97/53/44/950975344.db2.gz WZNXDLLOPMJFDY-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001573898113 950975358 /nfs/dbraw/zinc/97/53/58/950975358.db2.gz WZNXDLLOPMJFDY-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)c1ccc(C(=O)NC[C@@H](C)CNc2cnc(-c3nnn[n-]3)cn2)cn1 ZINC001575017462 950994092 /nfs/dbraw/zinc/99/40/92/950994092.db2.gz GPQCAXHZKWOLMT-LBPRGKRZSA-N -1 1 381.444 1.653 20 0 GDADMM CC(C)c1ccc(C(=O)NC[C@@H](C)CNc2cnc(-c3nn[n-]n3)cn2)cn1 ZINC001575017462 950994110 /nfs/dbraw/zinc/99/41/10/950994110.db2.gz GPQCAXHZKWOLMT-LBPRGKRZSA-N -1 1 381.444 1.653 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)C1CCC(F)(F)CC1 ZINC001575938949 950996148 /nfs/dbraw/zinc/99/61/48/950996148.db2.gz PEEYRDGAUPUAAD-CMPLNLGQSA-N -1 1 392.414 1.884 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)C1CCC(F)(F)CC1 ZINC001575938949 950996158 /nfs/dbraw/zinc/99/61/58/950996158.db2.gz PEEYRDGAUPUAAD-CMPLNLGQSA-N -1 1 392.414 1.884 20 0 GDADMM CC1(C)C[C@H]1C(=O)N1CCOC2(CN(Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001575646646 951009214 /nfs/dbraw/zinc/00/92/14/951009214.db2.gz BUVLGOYQTAKTOY-ZDUSSCGKSA-N -1 1 388.497 1.388 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)F)nc1)CNc1nccnc1-c1nnn[n-]1 ZINC001575018115 951016397 /nfs/dbraw/zinc/01/63/97/951016397.db2.gz KULKIGRCUIZPEM-SECBINFHSA-N -1 1 389.370 1.467 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)F)nc1)CNc1nccnc1-c1nn[n-]n1 ZINC001575018115 951016412 /nfs/dbraw/zinc/01/64/12/951016412.db2.gz KULKIGRCUIZPEM-SECBINFHSA-N -1 1 389.370 1.467 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)F)nc1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575019047 951030815 /nfs/dbraw/zinc/03/08/15/951030815.db2.gz QBCIDQQTJPJHMH-SECBINFHSA-N -1 1 389.370 1.244 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)F)nc1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575019047 951030829 /nfs/dbraw/zinc/03/08/29/951030829.db2.gz QBCIDQQTJPJHMH-SECBINFHSA-N -1 1 389.370 1.244 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C2CC2)cn1)CNc1nccnc1-c1nnn[n-]1 ZINC001575022129 951069359 /nfs/dbraw/zinc/06/93/59/951069359.db2.gz HQZWWDWYPFIHTJ-NSHDSACASA-N -1 1 379.428 1.407 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C2CC2)cn1)CNc1nccnc1-c1nn[n-]n1 ZINC001575022129 951069372 /nfs/dbraw/zinc/06/93/72/951069372.db2.gz HQZWWDWYPFIHTJ-NSHDSACASA-N -1 1 379.428 1.407 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)c(F)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575022760 951074386 /nfs/dbraw/zinc/07/43/86/951074386.db2.gz JARASAYYWWATKQ-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)c(F)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575022760 951074398 /nfs/dbraw/zinc/07/43/98/951074398.db2.gz JARASAYYWWATKQ-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)c(C(F)F)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575023855 951084909 /nfs/dbraw/zinc/08/49/09/951084909.db2.gz QYKFXNCMJQUIKY-QMMMGPOBSA-N -1 1 392.345 1.964 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)c(C(F)F)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575023855 951084921 /nfs/dbraw/zinc/08/49/21/951084921.db2.gz QYKFXNCMJQUIKY-QMMMGPOBSA-N -1 1 392.345 1.964 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)c2occc21)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575024220 951095594 /nfs/dbraw/zinc/09/55/94/951095594.db2.gz XZVRACBRIIQMIC-VIFPVBQESA-N -1 1 382.359 1.772 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)c2occc21)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575024220 951095605 /nfs/dbraw/zinc/09/56/05/951095605.db2.gz XZVRACBRIIQMIC-VIFPVBQESA-N -1 1 382.359 1.772 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)c(Cl)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575024227 951096781 /nfs/dbraw/zinc/09/67/81/951096781.db2.gz YERCPISCJCZHJA-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)c(Cl)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575024227 951096796 /nfs/dbraw/zinc/09/67/96/951096796.db2.gz YERCPISCJCZHJA-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2[nH]ccc2n1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575024960 951119736 /nfs/dbraw/zinc/11/97/36/951119736.db2.gz QNESPGUDYFNWOV-SNVBAGLBSA-N -1 1 378.400 1.011 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2[nH]ccc2n1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575024960 951119748 /nfs/dbraw/zinc/11/97/48/951119748.db2.gz QNESPGUDYFNWOV-SNVBAGLBSA-N -1 1 378.400 1.011 20 0 GDADMM C[C@H](CNC(=O)c1cccc(C(F)F)c1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575026463 951145871 /nfs/dbraw/zinc/14/58/71/951145871.db2.gz KWSQRWKSUUPFAI-SNVBAGLBSA-N -1 1 388.382 1.849 20 0 GDADMM C[C@H](CNC(=O)c1cccc(C(F)F)c1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575026463 951145876 /nfs/dbraw/zinc/14/58/76/951145876.db2.gz KWSQRWKSUUPFAI-SNVBAGLBSA-N -1 1 388.382 1.849 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2ncsc2c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575026737 951148028 /nfs/dbraw/zinc/14/80/28/951148028.db2.gz MSVNLJQPACFVDU-VIFPVBQESA-N -1 1 381.425 1.497 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2ncsc2c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575026737 951148036 /nfs/dbraw/zinc/14/80/36/951148036.db2.gz MSVNLJQPACFVDU-VIFPVBQESA-N -1 1 381.425 1.497 20 0 GDADMM CC(C)Oc1ncccc1C(=O)NC[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575031483 951193717 /nfs/dbraw/zinc/19/37/17/951193717.db2.gz BFHZJZTTWVFHTK-NSHDSACASA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1ncccc1C(=O)NC[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575031483 951193724 /nfs/dbraw/zinc/19/37/24/951193724.db2.gz BFHZJZTTWVFHTK-NSHDSACASA-N -1 1 383.416 1.069 20 0 GDADMM C[C@@H](CNC(=O)c1cccnc1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575031681 951202229 /nfs/dbraw/zinc/20/22/29/951202229.db2.gz GUECTLSIOGPBCC-QMMMGPOBSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@H](CNC(=O)c1cccnn1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001575031728 951202334 /nfs/dbraw/zinc/20/23/34/951202334.db2.gz HVVKVXCAFSAJMQ-SSDOTTSWSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@H](CNC(=O)c1cccnn1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001575031728 951202339 /nfs/dbraw/zinc/20/23/39/951202339.db2.gz HVVKVXCAFSAJMQ-SSDOTTSWSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@H](CNC(=O)c1cccnc1C(F)F)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575032056 951213757 /nfs/dbraw/zinc/21/37/57/951213757.db2.gz PFYZQCPBUOZTAL-VIFPVBQESA-N -1 1 389.370 1.467 20 0 GDADMM C[C@H](CNC(=O)c1cccnc1C(F)F)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575032056 951213764 /nfs/dbraw/zinc/21/37/64/951213764.db2.gz PFYZQCPBUOZTAL-VIFPVBQESA-N -1 1 389.370 1.467 20 0 GDADMM C[C@@H](CNC(=O)c1ccns1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575033878 951232754 /nfs/dbraw/zinc/23/27/54/951232754.db2.gz DFKGUEFFUBIBRT-LURJTMIESA-N -1 1 384.878 1.911 20 0 GDADMM C[C@@H](CNC(=O)c1ccnn1C1CCCC1)Nc1nccnc1-c1nnn[n-]1 ZINC001575035311 951272729 /nfs/dbraw/zinc/27/27/29/951272729.db2.gz WAXSDDRYJBZHIO-NSHDSACASA-N -1 1 382.432 1.199 20 0 GDADMM C[C@@H](CNC(=O)c1ccnn1C1CCCC1)Nc1nccnc1-c1nn[n-]n1 ZINC001575035311 951272745 /nfs/dbraw/zinc/27/27/45/951272745.db2.gz WAXSDDRYJBZHIO-NSHDSACASA-N -1 1 382.432 1.199 20 0 GDADMM C[C@@H](CNC(=O)c1ccn(-c2ccccc2)n1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575036495 951294622 /nfs/dbraw/zinc/29/46/22/951294622.db2.gz SZCSDWAKQKTZOS-LBPRGKRZSA-N -1 1 390.411 1.073 20 0 GDADMM C[C@@H](CNC(=O)c1ccn(-c2ccccc2)n1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575036495 951294632 /nfs/dbraw/zinc/29/46/32/951294632.db2.gz SZCSDWAKQKTZOS-LBPRGKRZSA-N -1 1 390.411 1.073 20 0 GDADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC001592211248 951312989 /nfs/dbraw/zinc/31/29/89/951312989.db2.gz JQZAEWZZHRGRMV-IBGZPJMESA-N -1 1 392.456 1.202 20 0 GDADMM C[C@H](CNC(=O)c1ccsc1Cl)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575039706 951336203 /nfs/dbraw/zinc/33/62/03/951336203.db2.gz SADCTCXSDUZPML-QMMMGPOBSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@H](CNC(=O)c1ccsc1Cl)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575039706 951336215 /nfs/dbraw/zinc/33/62/15/951336215.db2.gz SADCTCXSDUZPML-QMMMGPOBSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@H](CNC(=O)c1ccsc1Cl)CNc1nccnc1-c1nnn[n-]1 ZINC001575040078 951338984 /nfs/dbraw/zinc/33/89/84/951338984.db2.gz UAMZPEAQXFOANW-QMMMGPOBSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@H](CNC(=O)c1ccsc1Cl)CNc1nccnc1-c1nn[n-]n1 ZINC001575040078 951338995 /nfs/dbraw/zinc/33/89/95/951338995.db2.gz UAMZPEAQXFOANW-QMMMGPOBSA-N -1 1 378.849 1.850 20 0 GDADMM CCOc1ncccc1C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001593122783 951406651 /nfs/dbraw/zinc/40/66/51/951406651.db2.gz HDYMXURUEPRCJA-GHMZBOCLSA-N -1 1 389.330 1.217 20 0 GDADMM C[C@@H](CNC(=O)c1cnn(C(C)(C)C)c1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575052766 951470823 /nfs/dbraw/zinc/47/08/23/951470823.db2.gz NWUVBNJYIGPUDR-LLVKDONJSA-N -1 1 384.448 1.086 20 0 GDADMM C[C@@H](CNC(=O)c1cnn(C(C)(C)C)c1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575052766 951470832 /nfs/dbraw/zinc/47/08/32/951470832.db2.gz NWUVBNJYIGPUDR-LLVKDONJSA-N -1 1 384.448 1.086 20 0 GDADMM C[C@H](CNC(=O)c1cscc1Cl)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575060576 951542734 /nfs/dbraw/zinc/54/27/34/951542734.db2.gz ABVOAUNSVDEFNS-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@H](CNC(=O)c1cscc1Cl)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575060576 951542739 /nfs/dbraw/zinc/54/27/39/951542739.db2.gz ABVOAUNSVDEFNS-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@H](CNC(=O)c1nc(Cl)cs1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575060884 951551853 /nfs/dbraw/zinc/55/18/53/951551853.db2.gz IVSKGPOKWITKAC-SSDOTTSWSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@H](CNC(=O)c1nc(Cl)cs1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575060884 951551858 /nfs/dbraw/zinc/55/18/58/951551858.db2.gz IVSKGPOKWITKAC-SSDOTTSWSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@@H](CNC(=O)c1ncsc1C1CC1)CNc1nccnc1-c1nnn[n-]1 ZINC001575066379 951594945 /nfs/dbraw/zinc/59/49/45/951594945.db2.gz KWANELKNEOFBKY-SECBINFHSA-N -1 1 385.457 1.469 20 0 GDADMM C[C@@H](CNC(=O)c1ncsc1C1CC1)CNc1nccnc1-c1nn[n-]n1 ZINC001575066379 951594959 /nfs/dbraw/zinc/59/49/59/951594959.db2.gz KWANELKNEOFBKY-SECBINFHSA-N -1 1 385.457 1.469 20 0 GDADMM C[C@@H](CNC(=O)c1noc2c1CCCCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575066917 951601347 /nfs/dbraw/zinc/60/13/47/951601347.db2.gz NRKGILGRTXWQKI-JTQLQIEISA-N -1 1 383.416 1.144 20 0 GDADMM C[C@@H](CNC(=O)c1noc2c1CCCCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575066917 951601357 /nfs/dbraw/zinc/60/13/57/951601357.db2.gz NRKGILGRTXWQKI-JTQLQIEISA-N -1 1 383.416 1.144 20 0 GDADMM C[C@H](CNC(=O)c1scnc1Cl)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575070525 951652037 /nfs/dbraw/zinc/65/20/37/951652037.db2.gz RBINCVJKTATZGW-ZETCQYMHSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@H](CNC(=O)c1scnc1Cl)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575070525 951652041 /nfs/dbraw/zinc/65/20/41/951652041.db2.gz RBINCVJKTATZGW-ZETCQYMHSA-N -1 1 379.837 1.245 20 0 GDADMM Cc1nn(C)c(NS(=O)(=O)c2scnc2C(=O)[O-])c1Br ZINC000381754218 971775689 /nfs/dbraw/zinc/77/56/89/971775689.db2.gz FOPDTZWVKUUIJH-UHFFFAOYSA-N -1 1 381.233 1.447 20 0 GDADMM O=C([O-])CN1CCCC[C@@H](NCc2cc3c(cc2OC(F)F)OCO3)C1=O ZINC001595095412 951809498 /nfs/dbraw/zinc/80/94/98/951809498.db2.gz FFPBTLBRBNCJJU-LLVKDONJSA-N -1 1 386.351 1.572 20 0 GDADMM O=C([O-])COCC(=O)Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1 ZINC001595108315 951899295 /nfs/dbraw/zinc/89/92/95/951899295.db2.gz RQGGUPRXFUNXRP-UHFFFAOYSA-N -1 1 388.398 1.728 20 0 GDADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)CCC(F)(F)F)C1CC1 ZINC001575128836 952072470 /nfs/dbraw/zinc/07/24/70/952072470.db2.gz NBPYQEWZTFLWRH-AWEZNQCLSA-N -1 1 384.366 1.696 20 0 GDADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)CCC(F)(F)F)C1CC1 ZINC001575128836 952072477 /nfs/dbraw/zinc/07/24/77/952072477.db2.gz NBPYQEWZTFLWRH-AWEZNQCLSA-N -1 1 384.366 1.696 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cc2n(c1)CCCC2 ZINC001575132156 952091387 /nfs/dbraw/zinc/09/13/87/952091387.db2.gz CZNFMUFQMLTKFS-LBPRGKRZSA-N -1 1 381.444 1.367 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cc2n(c1)CCCC2 ZINC001575132156 952091394 /nfs/dbraw/zinc/09/13/94/952091394.db2.gz CZNFMUFQMLTKFS-LBPRGKRZSA-N -1 1 381.444 1.367 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cscc1Cl ZINC001575133196 952101587 /nfs/dbraw/zinc/10/15/87/952101587.db2.gz BYYZKJQPIZCFHH-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cscc1Cl ZINC001575133196 952101595 /nfs/dbraw/zinc/10/15/95/952101595.db2.gz BYYZKJQPIZCFHH-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)[C@@H]1CCCC12CC2)C1CC1 ZINC001575134520 952112661 /nfs/dbraw/zinc/11/26/61/952112661.db2.gz IUFITPIFRPEFOZ-UGSOOPFHSA-N -1 1 382.472 1.356 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)C1Cc2ccccc2C1 ZINC001575136263 952122367 /nfs/dbraw/zinc/12/23/67/952122367.db2.gz UFIHNJXUYKBPLB-LBPRGKRZSA-N -1 1 378.440 1.331 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)C1Cc2ccccc2C1 ZINC001575136263 952122371 /nfs/dbraw/zinc/12/23/71/952122371.db2.gz UFIHNJXUYKBPLB-LBPRGKRZSA-N -1 1 378.440 1.331 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)Cc1ccc(F)cc1F ZINC001575136391 952124346 /nfs/dbraw/zinc/12/43/46/952124346.db2.gz VDUQPZBJNGLEMP-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)Cc1ccc(F)cc1F ZINC001575136391 952124351 /nfs/dbraw/zinc/12/43/51/952124351.db2.gz VDUQPZBJNGLEMP-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)N(C)[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575141507 952144701 /nfs/dbraw/zinc/14/47/01/952144701.db2.gz HPTOGGAJTJNJPR-ZIAGYGMSSA-N -1 1 380.456 1.216 20 0 GDADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)c1ccc(F)s1)C1CC1 ZINC001575144022 952160883 /nfs/dbraw/zinc/16/08/83/952160883.db2.gz TUZAKOIPVYXNST-MRXNPFEDSA-N -1 1 388.432 1.290 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc(Cl)s1 ZINC001575144848 952172295 /nfs/dbraw/zinc/17/22/95/952172295.db2.gz MUYZJHXGPCUWGF-QMMMGPOBSA-N -1 1 378.849 1.366 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccccc1C1CCC1 ZINC001575144850 952174214 /nfs/dbraw/zinc/17/42/14/952174214.db2.gz MVBQFDVYNKSDPM-CYBMUJFWSA-N -1 1 392.467 1.919 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc2ccncc2c1 ZINC001575145520 952185475 /nfs/dbraw/zinc/18/54/75/952185475.db2.gz ZCSPMYIPSWZXFN-LBPRGKRZSA-N -1 1 389.423 1.199 20 0 GDADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)[C@@H]1CC12CCCC2)C1CC1 ZINC001575146177 952191243 /nfs/dbraw/zinc/19/12/43/952191243.db2.gz HHYGUZMOOZNSDM-UGSOOPFHSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)[C@@H]1CC12CCCC2)C1CC1 ZINC001575146177 952191250 /nfs/dbraw/zinc/19/12/50/952191250.db2.gz HHYGUZMOOZNSDM-UGSOOPFHSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)[C@H]1CCCC12CC2)C1CC1 ZINC001575147471 952201463 /nfs/dbraw/zinc/20/14/63/952201463.db2.gz UVVMAGLTIOFZKB-FZKQIMNGSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)[C@H]1CCCC12CC2)C1CC1 ZINC001575147471 952201468 /nfs/dbraw/zinc/20/14/68/952201468.db2.gz UVVMAGLTIOFZKB-FZKQIMNGSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)Cc1ccsc1)C1CC1 ZINC001575154312 952219336 /nfs/dbraw/zinc/21/93/36/952219336.db2.gz AVFWLHYNBRQFJQ-QGZVFWFLSA-N -1 1 384.469 1.658 20 0 GDADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)Cc1ccsc1)C1CC1 ZINC001575154312 952219339 /nfs/dbraw/zinc/21/93/39/952219339.db2.gz AVFWLHYNBRQFJQ-QGZVFWFLSA-N -1 1 384.469 1.658 20 0 GDADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)CC1CCOCC1)C1CC1 ZINC001575154404 952221876 /nfs/dbraw/zinc/22/18/76/952221876.db2.gz CEFJABDAWCBOTP-SFHVURJKSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)CC1CCOCC1)C1CC1 ZINC001575154404 952221883 /nfs/dbraw/zinc/22/18/83/952221883.db2.gz CEFJABDAWCBOTP-SFHVURJKSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cc2ccccc2n1C ZINC001575154426 952223143 /nfs/dbraw/zinc/22/31/43/952223143.db2.gz COWSKOPQEIZDTH-LBPRGKRZSA-N -1 1 391.439 1.721 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cc2ccccc2n1C ZINC001575154426 952223150 /nfs/dbraw/zinc/22/31/50/952223150.db2.gz COWSKOPQEIZDTH-LBPRGKRZSA-N -1 1 391.439 1.721 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)C[C@H]1CCC(C)(C)CO1 ZINC001575154565 952226447 /nfs/dbraw/zinc/22/64/47/952226447.db2.gz SOTILTOBKZSXOT-QWHCGFSZSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)C[C@H]1CCC(C)(C)CO1 ZINC001575154565 952226452 /nfs/dbraw/zinc/22/64/52/952226452.db2.gz SOTILTOBKZSXOT-QWHCGFSZSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H]1CCc2ccccc2C1 ZINC001575155498 952240305 /nfs/dbraw/zinc/24/03/05/952240305.db2.gz ZVMLLVJQAILLNV-CJNGLKHVSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H]1CCc2ccccc2C1 ZINC001575155498 952240309 /nfs/dbraw/zinc/24/03/09/952240309.db2.gz ZVMLLVJQAILLNV-CJNGLKHVSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001575155479 952240517 /nfs/dbraw/zinc/24/05/17/952240517.db2.gz ZHTDPTKDUWYMRT-QMTHXVAHSA-N -1 1 382.403 1.395 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001575155479 952240522 /nfs/dbraw/zinc/24/05/22/952240522.db2.gz ZHTDPTKDUWYMRT-QMTHXVAHSA-N -1 1 382.403 1.395 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H]1CCCC(F)(F)C1 ZINC001575155927 952245956 /nfs/dbraw/zinc/24/59/56/952245956.db2.gz AVKPDYXSZZOYMH-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCCC(F)(F)C1 ZINC001575155927 952245961 /nfs/dbraw/zinc/24/59/61/952245961.db2.gz AVKPDYXSZZOYMH-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CCCc1cccs1 ZINC001575159016 952274978 /nfs/dbraw/zinc/27/49/78/952274978.db2.gz YBPLWHGNFVSYOF-LBPRGKRZSA-N -1 1 386.485 2.000 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CCCc1cccs1 ZINC001575159016 952274984 /nfs/dbraw/zinc/27/49/84/952274984.db2.gz YBPLWHGNFVSYOF-LBPRGKRZSA-N -1 1 386.485 2.000 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001575158926 952275592 /nfs/dbraw/zinc/27/55/92/952275592.db2.gz XKCODIFJVRZBCH-VHDGCEQUSA-N -1 1 378.440 1.719 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001575158926 952275600 /nfs/dbraw/zinc/27/56/00/952275600.db2.gz XKCODIFJVRZBCH-VHDGCEQUSA-N -1 1 378.440 1.719 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)C[C@@H]1CCCO1 ZINC001575165279 952307061 /nfs/dbraw/zinc/30/70/61/952307061.db2.gz MVRJUVGLALXSHS-BDAKNGLRSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)C[C@@H]1CCCO1 ZINC001575165279 952307068 /nfs/dbraw/zinc/30/70/68/952307068.db2.gz MVRJUVGLALXSHS-BDAKNGLRSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)[C@@]1(F)CCOC1 ZINC001575166027 952319452 /nfs/dbraw/zinc/31/94/52/952319452.db2.gz SCRURXOLPVSODE-FUXBKTLASA-N -1 1 389.844 1.364 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)[C@@]1(F)CCOC1 ZINC001575166027 952319459 /nfs/dbraw/zinc/31/94/59/952319459.db2.gz SCRURXOLPVSODE-FUXBKTLASA-N -1 1 389.844 1.364 20 0 GDADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)c1ccc(F)cn1)C1CC1 ZINC001575173891 952360339 /nfs/dbraw/zinc/36/03/39/952360339.db2.gz CGZZKRYDDVYZMZ-QGZVFWFLSA-N -1 1 383.391 1.201 20 0 GDADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)c1ccc(F)cn1)C1CC1 ZINC001575173891 952360347 /nfs/dbraw/zinc/36/03/47/952360347.db2.gz CGZZKRYDDVYZMZ-QGZVFWFLSA-N -1 1 383.391 1.201 20 0 GDADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)Cc1cccs1)C1CC1 ZINC001575174311 952368913 /nfs/dbraw/zinc/36/89/13/952368913.db2.gz LOBLNQAJEVXWEW-QGZVFWFLSA-N -1 1 384.469 1.658 20 0 GDADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)Cc1cccs1)C1CC1 ZINC001575174311 952368916 /nfs/dbraw/zinc/36/89/16/952368916.db2.gz LOBLNQAJEVXWEW-QGZVFWFLSA-N -1 1 384.469 1.658 20 0 GDADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)C=Cc1ccc[nH]1)C1CC1 ZINC001575174328 952369031 /nfs/dbraw/zinc/36/90/31/952369031.db2.gz MICIQOOXTLYHEZ-DKFQHHCZSA-N -1 1 379.428 1.395 20 0 GDADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)C=Cc1ccc[nH]1)C1CC1 ZINC001575174328 952369036 /nfs/dbraw/zinc/36/90/36/952369036.db2.gz MICIQOOXTLYHEZ-DKFQHHCZSA-N -1 1 379.428 1.395 20 0 GDADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)[C@H]1CCCOCC1)C1CC1 ZINC001575175239 952382817 /nfs/dbraw/zinc/38/28/17/952382817.db2.gz WFNAKURYGKHCAN-KPZWWZAWSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)[C@H]1CCCOCC1)C1CC1 ZINC001575175239 952382824 /nfs/dbraw/zinc/38/28/24/952382824.db2.gz WFNAKURYGKHCAN-KPZWWZAWSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)Cc1c[nH]c2ccccc12 ZINC001575178233 952404722 /nfs/dbraw/zinc/40/47/22/952404722.db2.gz LMAHFBHSWWAXRS-LBPRGKRZSA-N -1 1 391.439 1.640 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)Cc1c[nH]c2ccccc12 ZINC001575178233 952404733 /nfs/dbraw/zinc/40/47/33/952404733.db2.gz LMAHFBHSWWAXRS-LBPRGKRZSA-N -1 1 391.439 1.640 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)Cc1cc(F)ccc1F ZINC001575178824 952409217 /nfs/dbraw/zinc/40/92/17/952409217.db2.gz NVATWMYBAGBZMU-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)Cc1cc(F)ccc1F ZINC001575178824 952409221 /nfs/dbraw/zinc/40/92/21/952409221.db2.gz NVATWMYBAGBZMU-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H](C)Cc1ccccc1 ZINC001575181167 952421724 /nfs/dbraw/zinc/42/17/24/952421724.db2.gz ZNRAFLXTXJRBKZ-UONOGXRCSA-N -1 1 380.456 1.794 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H](C)Cc1ccccc1 ZINC001575181167 952421729 /nfs/dbraw/zinc/42/17/29/952421729.db2.gz ZNRAFLXTXJRBKZ-UONOGXRCSA-N -1 1 380.456 1.794 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N(C)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575187207 952439252 /nfs/dbraw/zinc/43/92/52/952439252.db2.gz ARWGFNRBWCXENP-OLZOCXBDSA-N -1 1 382.428 1.166 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N(C)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575187207 952439256 /nfs/dbraw/zinc/43/92/56/952439256.db2.gz ARWGFNRBWCXENP-OLZOCXBDSA-N -1 1 382.428 1.166 20 0 GDADMM C[C@@H](Cc1ccccc1F)C(=O)NCCN(C)c1nccnc1-c1nnn[n-]1 ZINC001575189440 952458256 /nfs/dbraw/zinc/45/82/56/952458256.db2.gz OUYBZMKCRPCHEI-LBPRGKRZSA-N -1 1 384.419 1.227 20 0 GDADMM C[C@@H](Cc1ccccc1F)C(=O)NCCN(C)c1nccnc1-c1nn[n-]n1 ZINC001575189440 952458259 /nfs/dbraw/zinc/45/82/59/952458259.db2.gz OUYBZMKCRPCHEI-LBPRGKRZSA-N -1 1 384.419 1.227 20 0 GDADMM C[C@H](Cc1ccc(F)cc1)C(=O)N[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575189833 952459190 /nfs/dbraw/zinc/45/91/90/952459190.db2.gz QZIUMYUWTDNJOK-NEPJUHHUSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@H](Cc1ccc(F)cc1)C(=O)N[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575189833 952459192 /nfs/dbraw/zinc/45/91/92/952459192.db2.gz QZIUMYUWTDNJOK-NEPJUHHUSA-N -1 1 384.419 1.591 20 0 GDADMM CCOC(=O)C1(CNC(=O)Nc2cnc(OC)c(-c3nn[n-]n3)c2)CCC1 ZINC001571114994 952463070 /nfs/dbraw/zinc/46/30/70/952463070.db2.gz PIGILVASONUERE-UHFFFAOYSA-N -1 1 375.389 1.125 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N(C)C1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001575190644 952464213 /nfs/dbraw/zinc/46/42/13/952464213.db2.gz VEDMGNGOIQKSDN-PNESKVBLSA-N -1 1 382.428 1.530 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N(C)C1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001575190644 952464214 /nfs/dbraw/zinc/46/42/14/952464214.db2.gz VEDMGNGOIQKSDN-PNESKVBLSA-N -1 1 382.428 1.530 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001575196845 952477116 /nfs/dbraw/zinc/47/71/16/952477116.db2.gz JTYQWYPPZZGMFM-ABAIWWIYSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001575196845 952477119 /nfs/dbraw/zinc/47/71/19/952477119.db2.gz JTYQWYPPZZGMFM-ABAIWWIYSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001575196849 952477888 /nfs/dbraw/zinc/47/78/88/952477888.db2.gz JTYQWYPPZZGMFM-NHYWBVRUSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001575196849 952477893 /nfs/dbraw/zinc/47/78/93/952477893.db2.gz JTYQWYPPZZGMFM-NHYWBVRUSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001575197226 952480075 /nfs/dbraw/zinc/48/00/75/952480075.db2.gz QMARBVRNMUTAGJ-OLZOCXBDSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001575197226 952480079 /nfs/dbraw/zinc/48/00/79/952480079.db2.gz QMARBVRNMUTAGJ-OLZOCXBDSA-N -1 1 382.428 1.531 20 0 GDADMM CC(C)(C)OC(=O)NC(C)(C)CNC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001571120396 952501542 /nfs/dbraw/zinc/50/15/42/952501542.db2.gz MFDAYQZTVDCBTN-UHFFFAOYSA-N -1 1 376.421 1.687 20 0 GDADMM CC(C)(C)OC(=O)NC(C)(C)CNC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001571120396 952501544 /nfs/dbraw/zinc/50/15/44/952501544.db2.gz MFDAYQZTVDCBTN-UHFFFAOYSA-N -1 1 376.421 1.687 20 0 GDADMM Cc1[nH]nc(NC(=O)[C@@H](CC2CC2)NC(=O)OC(C)(C)C)c1-c1nn[n-]n1 ZINC001571121325 952519613 /nfs/dbraw/zinc/51/96/13/952519613.db2.gz YMBDRMOYAYOTMF-SNVBAGLBSA-N -1 1 376.421 1.530 20 0 GDADMM CC(C)[C@H](F)C(=O)N1CCC[C@H](CN(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571121952 952523266 /nfs/dbraw/zinc/52/32/66/952523266.db2.gz GGBGGRWOWNMTHC-DOMZBBRYSA-N -1 1 376.440 1.326 20 0 GDADMM CC(C)[C@H](F)C(=O)N1CCC[C@H](CN(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571121952 952523268 /nfs/dbraw/zinc/52/32/68/952523268.db2.gz GGBGGRWOWNMTHC-DOMZBBRYSA-N -1 1 376.440 1.326 20 0 GDADMM CN(C(=O)C[C@@H]1CCCOC1)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571123997 952532062 /nfs/dbraw/zinc/53/20/62/952532062.db2.gz WVZMJENJPUCHLT-LBPRGKRZSA-N -1 1 376.486 1.388 20 0 GDADMM Cc1nsc(NC2CCN(C(=O)c3n[nH]cc3F)CC2)c1-c1nn[n-]n1 ZINC001571124311 952536594 /nfs/dbraw/zinc/53/65/94/952536594.db2.gz FNCDDISNADTESK-UHFFFAOYSA-N -1 1 377.409 1.211 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575215025 952567974 /nfs/dbraw/zinc/56/79/74/952567974.db2.gz RYHGOCUXXJDSIY-MGCOHNPYSA-N -1 1 380.403 1.645 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575215025 952567977 /nfs/dbraw/zinc/56/79/77/952567977.db2.gz RYHGOCUXXJDSIY-MGCOHNPYSA-N -1 1 380.403 1.645 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001575214984 952568300 /nfs/dbraw/zinc/56/83/00/952568300.db2.gz QTIFMXNUJKXIGJ-LLVKDONJSA-N -1 1 380.403 1.645 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001575214984 952568304 /nfs/dbraw/zinc/56/83/04/952568304.db2.gz QTIFMXNUJKXIGJ-LLVKDONJSA-N -1 1 380.403 1.645 20 0 GDADMM Cc1nsc(N[C@H]2CCN(C(=O)C3CCC(O)CC3)C2)c1-c1nn[n-]n1 ZINC001571128628 952568409 /nfs/dbraw/zinc/56/84/09/952568409.db2.gz VLDKRLIVHVRAHQ-CXQJBGSLSA-N -1 1 377.474 1.196 20 0 GDADMM O=C([C@@H]1CCC(F)(F)C1)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571129493 952575361 /nfs/dbraw/zinc/57/53/61/952575361.db2.gz FEJGWWVZCURGEX-MNOVXSKESA-N -1 1 378.387 1.495 20 0 GDADMM O=C([C@@H]1CCC(F)(F)C1)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571129493 952575364 /nfs/dbraw/zinc/57/53/64/952575364.db2.gz FEJGWWVZCURGEX-MNOVXSKESA-N -1 1 378.387 1.495 20 0 GDADMM CC(F)(F)CC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001571129537 952575377 /nfs/dbraw/zinc/57/53/77/952575377.db2.gz GIYCPCCSFSRPJV-PHIMTYICSA-N -1 1 378.387 1.272 20 0 GDADMM CC(F)(F)CC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001571129537 952575384 /nfs/dbraw/zinc/57/53/84/952575384.db2.gz GIYCPCCSFSRPJV-PHIMTYICSA-N -1 1 378.387 1.272 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571129717 952576029 /nfs/dbraw/zinc/57/60/29/952576029.db2.gz IFLBZBHXNHJUQU-KOLCDFICSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571129717 952576034 /nfs/dbraw/zinc/57/60/34/952576034.db2.gz IFLBZBHXNHJUQU-KOLCDFICSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)[C@H]2CCC(F)(F)C2)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571130174 952578431 /nfs/dbraw/zinc/57/84/31/952578431.db2.gz PDJDQGIVWHBHFG-VWYCJHECSA-N -1 1 378.387 1.176 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)[C@H]2CCC(F)(F)C2)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571130174 952578434 /nfs/dbraw/zinc/57/84/34/952578434.db2.gz PDJDQGIVWHBHFG-VWYCJHECSA-N -1 1 378.387 1.176 20 0 GDADMM CN(C(=O)CC1CC(F)(F)C1)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571130671 952580778 /nfs/dbraw/zinc/58/07/78/952580778.db2.gz UEERQXJDCVHZLN-NSHDSACASA-N -1 1 378.387 1.129 20 0 GDADMM CN(C(=O)CC1CC(F)(F)C1)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571130671 952580784 /nfs/dbraw/zinc/58/07/84/952580784.db2.gz UEERQXJDCVHZLN-NSHDSACASA-N -1 1 378.387 1.129 20 0 GDADMM O=C(N1CCC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C1(C(F)F)CC1 ZINC001571130902 952582916 /nfs/dbraw/zinc/58/29/16/952582916.db2.gz YEKBGCJKELPDBZ-SNVBAGLBSA-N -1 1 378.387 1.353 20 0 GDADMM O=C(N1CCC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C1(C(F)F)CC1 ZINC001571130902 952582919 /nfs/dbraw/zinc/58/29/19/952582919.db2.gz YEKBGCJKELPDBZ-SNVBAGLBSA-N -1 1 378.387 1.353 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCc3c(CNC(C)=O)cccc3C2)n1 ZINC001571134141 952585781 /nfs/dbraw/zinc/58/57/81/952585781.db2.gz ASNHHMXUWGLQQF-UHFFFAOYSA-N -1 1 378.440 1.418 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCc3c(CNC(C)=O)cccc3C2)n1 ZINC001571134141 952585786 /nfs/dbraw/zinc/58/57/86/952585786.db2.gz ASNHHMXUWGLQQF-UHFFFAOYSA-N -1 1 378.440 1.418 20 0 GDADMM Cc1ccccc1[C@H](C)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571134097 952586533 /nfs/dbraw/zinc/58/65/33/952586533.db2.gz DPDSJANVSOCEJD-MELADBBJSA-N -1 1 378.440 1.828 20 0 GDADMM Cc1ccccc1[C@H](C)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571134097 952586535 /nfs/dbraw/zinc/58/65/35/952586535.db2.gz DPDSJANVSOCEJD-MELADBBJSA-N -1 1 378.440 1.828 20 0 GDADMM Cc1ccccc1C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)[C@H]1C ZINC001571134204 952586923 /nfs/dbraw/zinc/58/69/23/952586923.db2.gz GDCFBPOMZWHCIE-ZFWWWQNUSA-N -1 1 378.440 1.752 20 0 GDADMM Cc1ccccc1C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)[C@H]1C ZINC001571134204 952586927 /nfs/dbraw/zinc/58/69/27/952586927.db2.gz GDCFBPOMZWHCIE-ZFWWWQNUSA-N -1 1 378.440 1.752 20 0 GDADMM Cc1cccc(C)c1C(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571134258 952588366 /nfs/dbraw/zinc/58/83/66/952588366.db2.gz GOJSROWEOFVXOQ-UKRRQHHQSA-N -1 1 378.440 1.846 20 0 GDADMM Cc1cccc(C)c1C(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571134258 952588368 /nfs/dbraw/zinc/58/83/68/952588368.db2.gz GOJSROWEOFVXOQ-UKRRQHHQSA-N -1 1 378.440 1.846 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@H]2C)c1C ZINC001571134487 952590401 /nfs/dbraw/zinc/59/04/01/952590401.db2.gz IWNSSHQQOGVYGX-UKRRQHHQSA-N -1 1 378.440 1.989 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@H]2C)c1C ZINC001571134487 952590408 /nfs/dbraw/zinc/59/04/08/952590408.db2.gz IWNSSHQQOGVYGX-UKRRQHHQSA-N -1 1 378.440 1.989 20 0 GDADMM CCCc1ccccc1C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571134446 952590549 /nfs/dbraw/zinc/59/05/49/952590549.db2.gz GNBMKFLGNONCML-AWEZNQCLSA-N -1 1 378.440 1.936 20 0 GDADMM CCCc1ccccc1C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571134446 952590554 /nfs/dbraw/zinc/59/05/54/952590554.db2.gz GNBMKFLGNONCML-AWEZNQCLSA-N -1 1 378.440 1.936 20 0 GDADMM C[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571134420 952590641 /nfs/dbraw/zinc/59/06/41/952590641.db2.gz FWZQNHRZRXKQNF-DZGCQCFKSA-N -1 1 378.440 1.548 20 0 GDADMM C[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571134420 952590645 /nfs/dbraw/zinc/59/06/45/952590645.db2.gz FWZQNHRZRXKQNF-DZGCQCFKSA-N -1 1 378.440 1.548 20 0 GDADMM CCc1ccc(C(=O)NC[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571134599 952592741 /nfs/dbraw/zinc/59/27/41/952592741.db2.gz HNGKUJNDBYHVRY-CQSZACIVSA-N -1 1 378.440 1.475 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)Cc3ccccc3)[C@@H]2C)n1 ZINC001571134785 952595295 /nfs/dbraw/zinc/59/52/95/952595295.db2.gz LMJUDAOWIOYFHQ-HIFRSBDPSA-N -1 1 378.440 1.609 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)Cc3ccccc3)[C@@H]2C)n1 ZINC001571134785 952595297 /nfs/dbraw/zinc/59/52/97/952595297.db2.gz LMJUDAOWIOYFHQ-HIFRSBDPSA-N -1 1 378.440 1.609 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2C=CC=CC=C2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571134876 952596575 /nfs/dbraw/zinc/59/65/75/952596575.db2.gz MIOBLQJSZZAIRB-UKRRQHHQSA-N -1 1 378.440 1.429 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2C=CC=CC=C2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571134876 952596576 /nfs/dbraw/zinc/59/65/76/952596576.db2.gz MIOBLQJSZZAIRB-UKRRQHHQSA-N -1 1 378.440 1.429 20 0 GDADMM CCc1cccc(CC(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571134922 952597296 /nfs/dbraw/zinc/59/72/96/952597296.db2.gz NLUWTMPVMAYWLN-HNNXBMFYSA-N -1 1 378.440 1.157 20 0 GDADMM CCc1cccc(CC(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571134922 952597299 /nfs/dbraw/zinc/59/72/99/952597299.db2.gz NLUWTMPVMAYWLN-HNNXBMFYSA-N -1 1 378.440 1.157 20 0 GDADMM Cc1ccccc1C(=O)N1C[C@@H](C)[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571135031 952598451 /nfs/dbraw/zinc/59/84/51/952598451.db2.gz QKBISKQRTZZEHE-KGLIPLIRSA-N -1 1 378.440 1.207 20 0 GDADMM Cc1ccccc1C(=O)NC[C@@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571135122 952599644 /nfs/dbraw/zinc/59/96/44/952599644.db2.gz RWJSJRCFEXCIJC-AWEZNQCLSA-N -1 1 378.440 1.754 20 0 GDADMM Cc1ccccc1C(=O)NC[C@@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571135122 952599649 /nfs/dbraw/zinc/59/96/49/952599649.db2.gz RWJSJRCFEXCIJC-AWEZNQCLSA-N -1 1 378.440 1.754 20 0 GDADMM C[C@H]1C[C@@H]1C(=O)NCc1ccc(CCNc2nccnc2-c2nnn[n-]2)cc1 ZINC001571135175 952600964 /nfs/dbraw/zinc/60/09/64/952600964.db2.gz QQCVACPRGBYOQU-WFASDCNBSA-N -1 1 378.440 1.584 20 0 GDADMM C[C@H]1C[C@@H]1C(=O)NCc1ccc(CCNc2nccnc2-c2nn[n-]n2)cc1 ZINC001571135175 952600966 /nfs/dbraw/zinc/60/09/66/952600966.db2.gz QQCVACPRGBYOQU-WFASDCNBSA-N -1 1 378.440 1.584 20 0 GDADMM CCCc1ccc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571135192 952600978 /nfs/dbraw/zinc/60/09/78/952600978.db2.gz QWPYRFCNGYIZNU-HNNXBMFYSA-N -1 1 378.440 1.358 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001571135306 952602768 /nfs/dbraw/zinc/60/27/68/952602768.db2.gz VNAZCTPGXIDNQX-HIFRSBDPSA-N -1 1 378.440 1.976 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001571135306 952602771 /nfs/dbraw/zinc/60/27/71/952602771.db2.gz VNAZCTPGXIDNQX-HIFRSBDPSA-N -1 1 378.440 1.976 20 0 GDADMM O=S(=O)(c1ccsc1-c1nn[n-]n1)N1CCOc2ccc(O)cc2C1 ZINC001571142085 952638664 /nfs/dbraw/zinc/63/86/64/952638664.db2.gz PAPNBOJRJUGCRD-UHFFFAOYSA-N -1 1 379.423 1.217 20 0 GDADMM Cc1ncccc1CC(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001571146628 952651651 /nfs/dbraw/zinc/65/16/51/952651651.db2.gz KIBGZLLPLYFMJB-JSGCOSHPSA-N -1 1 379.428 1.004 20 0 GDADMM Cc1ncccc1CC(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001571146628 952651652 /nfs/dbraw/zinc/65/16/52/952651652.db2.gz KIBGZLLPLYFMJB-JSGCOSHPSA-N -1 1 379.428 1.004 20 0 GDADMM CN(C(=O)c1ccccn1)C1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571146807 952653136 /nfs/dbraw/zinc/65/31/36/952653136.db2.gz CPMJPQSGPKVPIV-UHFFFAOYSA-N -1 1 379.428 1.547 20 0 GDADMM CN(C(=O)c1ccccn1)C1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571146807 952653143 /nfs/dbraw/zinc/65/31/43/952653143.db2.gz CPMJPQSGPKVPIV-UHFFFAOYSA-N -1 1 379.428 1.547 20 0 GDADMM O=C(CCc1cccnc1)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571147058 952656448 /nfs/dbraw/zinc/65/64/48/952656448.db2.gz ROJYTVKIJJQPNL-AWEZNQCLSA-N -1 1 379.428 1.087 20 0 GDADMM O=C(CCc1cccnc1)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571147058 952656452 /nfs/dbraw/zinc/65/64/52/952656452.db2.gz ROJYTVKIJJQPNL-AWEZNQCLSA-N -1 1 379.428 1.087 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccncc2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571148292 952666545 /nfs/dbraw/zinc/66/65/45/952666545.db2.gz YCFNZHYBFRWAPJ-OCCSQVGLSA-N -1 1 379.428 1.262 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccncc2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571148292 952666548 /nfs/dbraw/zinc/66/65/48/952666548.db2.gz YCFNZHYBFRWAPJ-OCCSQVGLSA-N -1 1 379.428 1.262 20 0 GDADMM COc1ncc(NC(=O)N[C@@H]2CCC[C@H]([S@](C)=O)C2)cc1-c1nn[n-]n1 ZINC001571151580 952675898 /nfs/dbraw/zinc/67/58/98/952675898.db2.gz RCBPSDYYZJJTQJ-IERNKMRNSA-N -1 1 379.446 1.082 20 0 GDADMM Cc1cc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)cc(C)n1 ZINC001571152905 952684029 /nfs/dbraw/zinc/68/40/29/952684029.db2.gz KRWNHCRQZOZKKB-UHFFFAOYSA-N -1 1 380.380 1.635 20 0 GDADMM C[C@@H]1C[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CCS1 ZINC001571153390 952686493 /nfs/dbraw/zinc/68/64/93/952686493.db2.gz QJVIJDUWPSOITA-ZJUUUORDSA-N -1 1 379.494 1.030 20 0 GDADMM C[C@@H]1C[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CCS1 ZINC001571153390 952686496 /nfs/dbraw/zinc/68/64/96/952686496.db2.gz QJVIJDUWPSOITA-ZJUUUORDSA-N -1 1 379.494 1.030 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CCN(c3nc(Cl)c(-c4nnn[n-]4)s3)C2)co1 ZINC001571153987 952689543 /nfs/dbraw/zinc/68/95/43/952689543.db2.gz XYPMHDNQWCZRMX-VIFPVBQESA-N -1 1 379.833 1.887 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CCN(c3nc(Cl)c(-c4nn[n-]n4)s3)C2)co1 ZINC001571153987 952689547 /nfs/dbraw/zinc/68/95/47/952689547.db2.gz XYPMHDNQWCZRMX-VIFPVBQESA-N -1 1 379.833 1.887 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)[C@H](C)C1)C(C)(F)F ZINC001571155225 952694118 /nfs/dbraw/zinc/69/41/18/952694118.db2.gz LFFWBKLPIPPDIT-GMTAPVOTSA-N -1 1 380.403 1.454 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)[C@H](C)C1)C(C)(F)F ZINC001571155225 952694120 /nfs/dbraw/zinc/69/41/20/952694120.db2.gz LFFWBKLPIPPDIT-GMTAPVOTSA-N -1 1 380.403 1.454 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)[C@H](C)C2)ccn1 ZINC001571156824 952706060 /nfs/dbraw/zinc/70/60/60/952706060.db2.gz KRSORTYIWUTWMG-OCCSQVGLSA-N -1 1 379.428 1.147 20 0 GDADMM Cc1cccnc1C(=O)N[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571157126 952706935 /nfs/dbraw/zinc/70/69/35/952706935.db2.gz MVBFLYHOOXHUPZ-CHWSQXEVSA-N -1 1 379.428 1.513 20 0 GDADMM Cc1cccnc1C(=O)N[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571157126 952706936 /nfs/dbraw/zinc/70/69/36/952706936.db2.gz MVBFLYHOOXHUPZ-CHWSQXEVSA-N -1 1 379.428 1.513 20 0 GDADMM COc1cccc(C(=O)N2C[C@@H](C)[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571158264 952709734 /nfs/dbraw/zinc/70/97/34/952709734.db2.gz GARQXZBZHAGFCR-RISCZKNCSA-N -1 1 380.412 1.238 20 0 GDADMM COc1cccc(C(=O)N2C[C@@H](C)[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571158264 952709735 /nfs/dbraw/zinc/70/97/35/952709735.db2.gz GARQXZBZHAGFCR-RISCZKNCSA-N -1 1 380.412 1.238 20 0 GDADMM COc1cccc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@H]2C)c1 ZINC001571158295 952711364 /nfs/dbraw/zinc/71/13/64/952711364.db2.gz GLHPVAVJPZFYPA-BXUZGUMPSA-N -1 1 380.412 1.380 20 0 GDADMM COc1cccc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@H]2C)c1 ZINC001571158295 952711369 /nfs/dbraw/zinc/71/13/69/952711369.db2.gz GLHPVAVJPZFYPA-BXUZGUMPSA-N -1 1 380.412 1.380 20 0 GDADMM Cc1ccc(C(=O)N[C@@]23CCC[C@@H]2N(c2nccnc2-c2nnn[n-]2)CC3)o1 ZINC001571158720 952713849 /nfs/dbraw/zinc/71/38/49/952713849.db2.gz NIQDUQHGWHZRAB-SCLBCKFNSA-N -1 1 380.412 1.490 20 0 GDADMM Cc1ccc(C(=O)N[C@@]23CCC[C@@H]2N(c2nccnc2-c2nn[n-]n2)CC3)o1 ZINC001571158720 952713853 /nfs/dbraw/zinc/71/38/53/952713853.db2.gz NIQDUQHGWHZRAB-SCLBCKFNSA-N -1 1 380.412 1.490 20 0 GDADMM Cc1cc(C(=O)N2C[C@H]3CCN(c4nccnc4-c4nnn[n-]4)C[C@H]3C2)co1 ZINC001571159112 952717274 /nfs/dbraw/zinc/71/72/74/952717274.db2.gz QRAITHODXJYQQM-OCCSQVGLSA-N -1 1 380.412 1.157 20 0 GDADMM Cc1cc(C(=O)N2C[C@H]3CCN(c4nccnc4-c4nn[n-]n4)C[C@H]3C2)co1 ZINC001571159112 952717278 /nfs/dbraw/zinc/71/72/78/952717278.db2.gz QRAITHODXJYQQM-OCCSQVGLSA-N -1 1 380.412 1.157 20 0 GDADMM COc1ccc(C(=O)N2CCCN(c3nccnc3-c3nnn[n-]3)CC2)cc1 ZINC001571159101 952717495 /nfs/dbraw/zinc/71/74/95/952717495.db2.gz QLJKOHUJKZPLJR-UHFFFAOYSA-N -1 1 380.412 1.018 20 0 GDADMM COc1ccc(C(=O)N2CCCN(c3nccnc3-c3nn[n-]n3)CC2)cc1 ZINC001571159101 952717498 /nfs/dbraw/zinc/71/74/98/952717498.db2.gz QLJKOHUJKZPLJR-UHFFFAOYSA-N -1 1 380.412 1.018 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H]3[C@@H](CCN3c3ccnc(-c4nn[n-]n4)n3)C2)co1 ZINC001571159488 952719398 /nfs/dbraw/zinc/71/93/98/952719398.db2.gz WGXRGNFLGLVPCY-JSGCOSHPSA-N -1 1 380.412 1.299 20 0 GDADMM Cc1occc1C(=O)NC1CC2(C1)CC(Nc1cncc(-c3nnn[n-]3)n1)C2 ZINC001571160227 952724019 /nfs/dbraw/zinc/72/40/19/952724019.db2.gz FDDTXKUKSWVPQK-UHFFFAOYSA-N -1 1 380.412 1.711 20 0 GDADMM Cc1occc1C(=O)NC1CC2(C1)CC(Nc1cncc(-c3nn[n-]n3)n1)C2 ZINC001571160227 952724021 /nfs/dbraw/zinc/72/40/21/952724021.db2.gz FDDTXKUKSWVPQK-UHFFFAOYSA-N -1 1 380.412 1.711 20 0 GDADMM Cc1cncc(CC(=O)N2CCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)c1 ZINC001571160322 952725088 /nfs/dbraw/zinc/72/50/88/952725088.db2.gz YIIZSYPKJBIKHG-CQSZACIVSA-N -1 1 379.428 1.006 20 0 GDADMM Cc1cncc(CC(=O)N2CCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)c1 ZINC001571160322 952725092 /nfs/dbraw/zinc/72/50/92/952725092.db2.gz YIIZSYPKJBIKHG-CQSZACIVSA-N -1 1 379.428 1.006 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CCC[C@H]2[C@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001571160313 952725105 /nfs/dbraw/zinc/72/51/05/952725105.db2.gz YIFOAAIEUYBTKB-UONOGXRCSA-N -1 1 379.428 1.177 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CCC[C@H]2[C@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001571160313 952725109 /nfs/dbraw/zinc/72/51/09/952725109.db2.gz YIFOAAIEUYBTKB-UONOGXRCSA-N -1 1 379.428 1.177 20 0 GDADMM Cc1cc(C(=O)N2CCCN(c3cncc(-c4nnn[n-]4)n3)CC2)cc(C)n1 ZINC001571160306 952725326 /nfs/dbraw/zinc/72/53/26/952725326.db2.gz YIFDWSNTTOAZTP-UHFFFAOYSA-N -1 1 379.428 1.021 20 0 GDADMM Cc1cc(C(=O)N2CCCN(c3cncc(-c4nn[n-]n4)n3)CC2)cc(C)n1 ZINC001571160306 952725328 /nfs/dbraw/zinc/72/53/28/952725328.db2.gz YIFDWSNTTOAZTP-UHFFFAOYSA-N -1 1 379.428 1.021 20 0 GDADMM Cc1ccncc1C(=O)N1CC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571160324 952725406 /nfs/dbraw/zinc/72/54/06/952725406.db2.gz YKTCTOODDBRPHB-CYBMUJFWSA-N -1 1 379.428 1.324 20 0 GDADMM Cc1ccncc1C(=O)N1CC[C@@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571160324 952725410 /nfs/dbraw/zinc/72/54/10/952725410.db2.gz YKTCTOODDBRPHB-CYBMUJFWSA-N -1 1 379.428 1.324 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)[C@H](C)C2)n1 ZINC001571160388 952726451 /nfs/dbraw/zinc/72/64/51/952726451.db2.gz ZWNLUWCCUZMBLM-YPMHNXCESA-N -1 1 379.428 1.323 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)[C@H](C)C2)n1 ZINC001571160388 952726456 /nfs/dbraw/zinc/72/64/56/952726456.db2.gz ZWNLUWCCUZMBLM-YPMHNXCESA-N -1 1 379.428 1.323 20 0 GDADMM O=C(N[C@@H]1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1O ZINC001571161435 952732627 /nfs/dbraw/zinc/73/26/27/952732627.db2.gz VNRXQWFMSJVGNO-VXGBXAGGSA-N -1 1 380.412 1.373 20 0 GDADMM O=C(N[C@@H]1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1O ZINC001571161435 952732629 /nfs/dbraw/zinc/73/26/29/952732629.db2.gz VNRXQWFMSJVGNO-VXGBXAGGSA-N -1 1 380.412 1.373 20 0 GDADMM C[C@@H]1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)C[C@H]1NC(=O)c1cocn1 ZINC001571171510 952793578 /nfs/dbraw/zinc/79/35/78/952793578.db2.gz AYMFCTHGTSFCIH-RNFRBKRXSA-N -1 1 380.821 1.219 20 0 GDADMM O=C(c1conc1C1CC1)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571178935 952850317 /nfs/dbraw/zinc/85/03/17/952850317.db2.gz YNHIFKDJXPJOBY-LLVKDONJSA-N -1 1 381.400 1.239 20 0 GDADMM O=C(c1conc1C1CC1)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571178935 952850324 /nfs/dbraw/zinc/85/03/24/952850324.db2.gz YNHIFKDJXPJOBY-LLVKDONJSA-N -1 1 381.400 1.239 20 0 GDADMM CC(C)c1[nH]ccc1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571180959 952861986 /nfs/dbraw/zinc/86/19/86/952861986.db2.gz RULTVKSCLBELDV-LBPRGKRZSA-N -1 1 381.444 1.507 20 0 GDADMM Cc1c[nH]cc1C(=O)N(C)C1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571184609 952894798 /nfs/dbraw/zinc/89/47/98/952894798.db2.gz AZXDBXHZBMUEGS-UHFFFAOYSA-N -1 1 381.444 1.210 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](NC(=O)c3cc[nH]c3)C(C)(C)C2)n1 ZINC001571184808 952897431 /nfs/dbraw/zinc/89/74/31/952897431.db2.gz DGDLYPNTCUHSHD-CQSZACIVSA-N -1 1 381.444 1.328 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)c3cc[nH]c3)C(C)(C)C2)n1 ZINC001571184808 952897436 /nfs/dbraw/zinc/89/74/36/952897436.db2.gz DGDLYPNTCUHSHD-CQSZACIVSA-N -1 1 381.444 1.328 20 0 GDADMM CCn1cccc1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001571185011 952898226 /nfs/dbraw/zinc/89/82/26/952898226.db2.gz GSFXHGSKYCEWMH-CHWSQXEVSA-N -1 1 381.444 1.265 20 0 GDADMM CCn1cccc1C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C ZINC001571185374 952901303 /nfs/dbraw/zinc/90/13/03/952901303.db2.gz KVUMIQJTRFKTAB-OLZOCXBDSA-N -1 1 381.444 1.265 20 0 GDADMM CCn1cccc1C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C ZINC001571185374 952901304 /nfs/dbraw/zinc/90/13/04/952901304.db2.gz KVUMIQJTRFKTAB-OLZOCXBDSA-N -1 1 381.444 1.265 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCCCN2C(=O)c2cccn2C)n1 ZINC001571185682 952903146 /nfs/dbraw/zinc/90/31/46/952903146.db2.gz OEDPJOWVMZKSBC-ZDUSSCGKSA-N -1 1 381.444 1.410 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCCCN2C(=O)c2cccn2C)n1 ZINC001571185682 952903149 /nfs/dbraw/zinc/90/31/49/952903149.db2.gz OEDPJOWVMZKSBC-ZDUSSCGKSA-N -1 1 381.444 1.410 20 0 GDADMM CCn1ccc(C(=O)NC[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)c1C ZINC001571186625 952908001 /nfs/dbraw/zinc/90/80/01/952908001.db2.gz YTKRGQXHKDTKRI-ZDUSSCGKSA-N -1 1 381.444 1.043 20 0 GDADMM CCn1ccc(C(=O)NC[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)c1C ZINC001571186625 952908005 /nfs/dbraw/zinc/90/80/05/952908005.db2.gz YTKRGQXHKDTKRI-ZDUSSCGKSA-N -1 1 381.444 1.043 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@](C)(CNc3nccnc3-c3nnn[n-]3)C2)n1C ZINC001571187921 952909738 /nfs/dbraw/zinc/90/97/38/952909738.db2.gz CRIBBWBLQNTVSK-SFHVURJKSA-N -1 1 381.444 1.268 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@](C)(CNc3nccnc3-c3nn[n-]n3)C2)n1C ZINC001571187921 952909744 /nfs/dbraw/zinc/90/97/44/952909744.db2.gz CRIBBWBLQNTVSK-SFHVURJKSA-N -1 1 381.444 1.268 20 0 GDADMM Cc1cc(C)c(C(=O)N2CCC(N(C)c3cncc(-c4nnn[n-]4)n3)CC2)[nH]1 ZINC001571187726 952910047 /nfs/dbraw/zinc/91/00/47/952910047.db2.gz BFEVMYWOVLDZLO-UHFFFAOYSA-N -1 1 381.444 1.343 20 0 GDADMM Cc1cc(C)c(C(=O)N2CCC(N(C)c3cncc(-c4nn[n-]n4)n3)CC2)[nH]1 ZINC001571187726 952910049 /nfs/dbraw/zinc/91/00/49/952910049.db2.gz BFEVMYWOVLDZLO-UHFFFAOYSA-N -1 1 381.444 1.343 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CCC[C@H]([C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571188002 952911010 /nfs/dbraw/zinc/91/10/10/952911010.db2.gz FMNRHFXYYZDTTE-STQMWFEESA-N -1 1 381.444 1.646 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CCC[C@H]([C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571188002 952911016 /nfs/dbraw/zinc/91/10/16/952911016.db2.gz FMNRHFXYYZDTTE-STQMWFEESA-N -1 1 381.444 1.646 20 0 GDADMM Cc1ccn(C)c1C(=O)N[C@@H]1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571189085 952923686 /nfs/dbraw/zinc/92/36/86/952923686.db2.gz RSBFKYCUWOULNP-QWHCGFSZSA-N -1 1 381.444 1.314 20 0 GDADMM Cc1ccn(C)c1C(=O)N[C@@H]1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571189085 952923688 /nfs/dbraw/zinc/92/36/88/952923688.db2.gz RSBFKYCUWOULNP-QWHCGFSZSA-N -1 1 381.444 1.314 20 0 GDADMM Cn1ccc(C(=O)N[C@H]2CCCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)c1 ZINC001571189697 952933484 /nfs/dbraw/zinc/93/34/84/952933484.db2.gz RUQLDMVXTMKZRR-OCCSQVGLSA-N -1 1 381.444 1.396 20 0 GDADMM Cn1ccc(C(=O)N[C@H]2CCCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)c1 ZINC001571189697 952933489 /nfs/dbraw/zinc/93/34/89/952933489.db2.gz RUQLDMVXTMKZRR-OCCSQVGLSA-N -1 1 381.444 1.396 20 0 GDADMM O=C(C1CC1)N1C[C@H](CNc2nccnc2-c2nnn[n-]2)[C@H](C(F)(F)F)C1 ZINC001571194254 952959936 /nfs/dbraw/zinc/95/99/36/952959936.db2.gz JNFXUDIGQFJYQD-VHSXEESVSA-N -1 1 382.350 1.116 20 0 GDADMM O=C(C1CC1)N1C[C@H](CNc2nccnc2-c2nn[n-]n2)[C@H](C(F)(F)F)C1 ZINC001571194254 952959937 /nfs/dbraw/zinc/95/99/37/952959937.db2.gz JNFXUDIGQFJYQD-VHSXEESVSA-N -1 1 382.350 1.116 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@@H]2CCN(C(=O)c3ccccc3F)C2)n1 ZINC001571195779 952979187 /nfs/dbraw/zinc/97/91/87/952979187.db2.gz FYTOSOSYGDRJSK-GFCCVEGCSA-N -1 1 382.403 1.455 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@@H]2CCN(C(=O)c3ccccc3F)C2)n1 ZINC001571195779 952979192 /nfs/dbraw/zinc/97/91/92/952979192.db2.gz FYTOSOSYGDRJSK-GFCCVEGCSA-N -1 1 382.403 1.455 20 0 GDADMM Cc1ccc(F)c(C(=O)NC[C@H]2CCCN2c2nccnc2-c2nnn[n-]2)c1 ZINC001571196466 952981149 /nfs/dbraw/zinc/98/11/49/952981149.db2.gz KXODPHRSLSOWGP-GFCCVEGCSA-N -1 1 382.403 1.503 20 0 GDADMM Cc1ccc(F)c(C(=O)NC[C@H]2CCCN2c2nccnc2-c2nn[n-]n2)c1 ZINC001571196466 952981154 /nfs/dbraw/zinc/98/11/54/952981154.db2.gz KXODPHRSLSOWGP-GFCCVEGCSA-N -1 1 382.403 1.503 20 0 GDADMM Cc1cc(C(=O)N2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@@H](C)C2)ccc1F ZINC001571196515 952982637 /nfs/dbraw/zinc/98/26/37/952982637.db2.gz LRPLBRFKSDWXQB-FZMZJTMJSA-N -1 1 382.403 1.099 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)c3cccc(C)c3F)C2)n1 ZINC001571196765 952982709 /nfs/dbraw/zinc/98/27/09/952982709.db2.gz NQCHXAPRUVDCAZ-LBPRGKRZSA-N -1 1 382.403 1.739 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)c3cccc(C)c3F)C2)n1 ZINC001571196765 952982716 /nfs/dbraw/zinc/98/27/16/952982716.db2.gz NQCHXAPRUVDCAZ-LBPRGKRZSA-N -1 1 382.403 1.739 20 0 GDADMM Cc1ccc(F)cc1C(=O)N1C[C@H](C)[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571197100 952986095 /nfs/dbraw/zinc/98/60/95/952986095.db2.gz RVWIEAGNSWGOKC-XHDPSFHLSA-N -1 1 382.403 1.677 20 0 GDADMM Cc1ccc(F)cc1C(=O)N1C[C@H](C)[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571197100 952986100 /nfs/dbraw/zinc/98/61/00/952986100.db2.gz RVWIEAGNSWGOKC-XHDPSFHLSA-N -1 1 382.403 1.677 20 0 GDADMM CCc1nc(N[C@H]2CCCN(C(=O)c3occc3C)C2)cc(-c2nnn[n-]2)n1 ZINC001571199291 952998881 /nfs/dbraw/zinc/99/88/81/952998881.db2.gz PAOCFTAFUUMHIL-LBPRGKRZSA-N -1 1 382.428 1.837 20 0 GDADMM CCc1nc(N[C@H]2CCCN(C(=O)c3occc3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571199291 952998885 /nfs/dbraw/zinc/99/88/85/952998885.db2.gz PAOCFTAFUUMHIL-LBPRGKRZSA-N -1 1 382.428 1.837 20 0 GDADMM CC(C)c1occc1C(=O)NC1CC(CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571199963 953006797 /nfs/dbraw/zinc/00/67/97/953006797.db2.gz FEEPGQABKGYCAQ-UHFFFAOYSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1occc1C(=O)NC1CC(CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571199963 953006802 /nfs/dbraw/zinc/00/68/02/953006802.db2.gz FEEPGQABKGYCAQ-UHFFFAOYSA-N -1 1 382.428 1.994 20 0 GDADMM Cc1ccoc1C(=O)N1CCC[C@H]([C@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571200110 953007963 /nfs/dbraw/zinc/00/79/63/953007963.db2.gz ARSSFEYQBVGNKQ-STQMWFEESA-N -1 1 382.428 1.911 20 0 GDADMM Cc1ccoc1C(=O)N1CCC[C@H]([C@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571200110 953007965 /nfs/dbraw/zinc/00/79/65/953007965.db2.gz ARSSFEYQBVGNKQ-STQMWFEESA-N -1 1 382.428 1.911 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C[C@@H]2C)oc1C ZINC001571200895 953012695 /nfs/dbraw/zinc/01/26/95/953012695.db2.gz HPMIONKQVFRZAY-WCQYABFASA-N -1 1 382.428 1.972 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C[C@@H]2C)oc1C ZINC001571200895 953012698 /nfs/dbraw/zinc/01/26/98/953012698.db2.gz HPMIONKQVFRZAY-WCQYABFASA-N -1 1 382.428 1.972 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CC[C@H](C)N(c3ccc(-c4nnn[n-]4)nn3)C2)c(C)o1 ZINC001571200883 953012886 /nfs/dbraw/zinc/01/28/86/953012886.db2.gz HLELVKVGDATTOC-GXFFZTMASA-N -1 1 382.428 1.654 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CC[C@H](C)N(c3ccc(-c4nn[n-]n4)nn3)C2)c(C)o1 ZINC001571200883 953012890 /nfs/dbraw/zinc/01/28/90/953012890.db2.gz HLELVKVGDATTOC-GXFFZTMASA-N -1 1 382.428 1.654 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@H]2CN(C)c2ccnc(-c3nn[n-]n3)n2)c(C)o1 ZINC001571201027 953014202 /nfs/dbraw/zinc/01/42/02/953014202.db2.gz IEWGGUMLEWMMBF-ZDUSSCGKSA-N -1 1 382.428 1.608 20 0 GDADMM C[C@@H]1CCCN(C(=O)Cc2ccoc2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571201943 953021663 /nfs/dbraw/zinc/02/16/63/953021663.db2.gz UCNYRLNZHHRIJM-IUODEOHRSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@@H]1CCCN(C(=O)Cc2ccoc2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571201943 953021666 /nfs/dbraw/zinc/02/16/66/953021666.db2.gz UCNYRLNZHHRIJM-IUODEOHRSA-N -1 1 382.428 1.531 20 0 GDADMM Cc1ccoc1CC(=O)N[C@@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571201941 953021740 /nfs/dbraw/zinc/02/17/40/953021740.db2.gz POEWZKUGIKAHKF-CHWSQXEVSA-N -1 1 382.428 1.640 20 0 GDADMM Cc1ccoc1CC(=O)N[C@@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571201941 953021744 /nfs/dbraw/zinc/02/17/44/953021744.db2.gz POEWZKUGIKAHKF-CHWSQXEVSA-N -1 1 382.428 1.640 20 0 GDADMM CCCc1n[nH]cc1C(=O)N(C)C1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571204550 953030589 /nfs/dbraw/zinc/03/05/89/953030589.db2.gz ATMWYUWLFAIXFZ-UHFFFAOYSA-N -1 1 382.432 1.047 20 0 GDADMM CCCc1n[nH]cc1C(=O)N(C)C1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571204550 953030594 /nfs/dbraw/zinc/03/05/94/953030594.db2.gz ATMWYUWLFAIXFZ-UHFFFAOYSA-N -1 1 382.432 1.047 20 0 GDADMM Cc1occc1C(=O)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001571207347 953061943 /nfs/dbraw/zinc/06/19/43/953061943.db2.gz YGFDCRJHLUHGJS-DGCLKSJQSA-N -1 1 382.428 1.768 20 0 GDADMM Cc1occc1C(=O)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001571207347 953061946 /nfs/dbraw/zinc/06/19/46/953061946.db2.gz YGFDCRJHLUHGJS-DGCLKSJQSA-N -1 1 382.428 1.768 20 0 GDADMM O=C(c1sccc1C1CC1)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571209697 953065843 /nfs/dbraw/zinc/06/58/43/953065843.db2.gz BGTAFEQHDAJMNB-UHFFFAOYSA-N -1 1 382.453 1.558 20 0 GDADMM CC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1cccnc1-c1nnn[n-]1 ZINC001571209924 953068851 /nfs/dbraw/zinc/06/88/51/953068851.db2.gz ITPNKAVHODEUKV-AWEZNQCLSA-N -1 1 382.449 1.670 20 0 GDADMM CC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1cccnc1-c1nn[n-]n1 ZINC001571209924 953068854 /nfs/dbraw/zinc/06/88/54/953068854.db2.gz ITPNKAVHODEUKV-AWEZNQCLSA-N -1 1 382.449 1.670 20 0 GDADMM O=C(c1ccsc1)N1CC[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001571210807 953074806 /nfs/dbraw/zinc/07/48/06/953074806.db2.gz XLOPJRTYABYJHH-KRWDZBQOSA-N -1 1 382.453 1.461 20 0 GDADMM O=C(c1ccsc1)N1CC[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001571210807 953074812 /nfs/dbraw/zinc/07/48/12/953074812.db2.gz XLOPJRTYABYJHH-KRWDZBQOSA-N -1 1 382.453 1.461 20 0 GDADMM CCC1(C(=O)N2CC[C@]3(CCN(c4cnc(-c5nnn[n-]5)cn4)C3)C2)CCC1 ZINC001571211583 953078521 /nfs/dbraw/zinc/07/85/21/953078521.db2.gz CHDPSFCVILDILD-SFHVURJKSA-N -1 1 382.472 1.666 20 0 GDADMM CCC1(C(=O)N2CC[C@]3(CCN(c4cnc(-c5nn[n-]n5)cn4)C3)C2)CCC1 ZINC001571211583 953078525 /nfs/dbraw/zinc/07/85/25/953078525.db2.gz CHDPSFCVILDILD-SFHVURJKSA-N -1 1 382.472 1.666 20 0 GDADMM CC(C)(C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1nccnc1-c1nnn[n-]1)C2)C1CC1 ZINC001571211550 953078985 /nfs/dbraw/zinc/07/89/85/953078985.db2.gz BHVREJDAYKTORG-YUTCNCBUSA-N -1 1 382.472 1.566 20 0 GDADMM CC(C)(C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1nccnc1-c1nn[n-]n1)C2)C1CC1 ZINC001571211550 953078988 /nfs/dbraw/zinc/07/89/88/953078988.db2.gz BHVREJDAYKTORG-YUTCNCBUSA-N -1 1 382.472 1.566 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2C[C@H](NC(=O)C3CCCC3)C23CCC3)n1 ZINC001571212046 953082601 /nfs/dbraw/zinc/08/26/01/953082601.db2.gz HUZJLJCKNOTPPQ-LSDHHAIUSA-N -1 1 382.472 1.995 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2C[C@H](NC(=O)C3CCCC3)C23CCC3)n1 ZINC001571212046 953082604 /nfs/dbraw/zinc/08/26/04/953082604.db2.gz HUZJLJCKNOTPPQ-LSDHHAIUSA-N -1 1 382.472 1.995 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@]3(NC(=O)[C@H]4C[C@@H]4C)CCC[C@H]23)n1 ZINC001571212454 953087683 /nfs/dbraw/zinc/08/76/83/953087683.db2.gz LXCVKRGMLHJLOI-VIOOABJFSA-N -1 1 382.472 1.493 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@]3(NC(=O)[C@H]4C[C@@H]4C)CCC[C@H]23)n1 ZINC001571212454 953087686 /nfs/dbraw/zinc/08/76/86/953087686.db2.gz LXCVKRGMLHJLOI-VIOOABJFSA-N -1 1 382.472 1.493 20 0 GDADMM C[C@H]1C[C@H]1C(=O)N1CCC2(CC1)CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001571212406 953088502 /nfs/dbraw/zinc/08/85/02/953088502.db2.gz LCERVSPKZONHQN-UONOGXRCSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H]1C[C@H]1C(=O)N1CCC2(CC1)CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001571212406 953088504 /nfs/dbraw/zinc/08/85/04/953088504.db2.gz LCERVSPKZONHQN-UONOGXRCSA-N -1 1 382.472 1.522 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)C3(C4CC4)CC3)C[C@H]2C)n1 ZINC001571212958 953091616 /nfs/dbraw/zinc/09/16/16/953091616.db2.gz OLGPKAIMZANULB-RISCZKNCSA-N -1 1 382.472 1.804 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)C3(C4CC4)CC3)C[C@H]2C)n1 ZINC001571212958 953091620 /nfs/dbraw/zinc/09/16/20/953091620.db2.gz OLGPKAIMZANULB-RISCZKNCSA-N -1 1 382.472 1.804 20 0 GDADMM Cc1nc(C)c(C(=O)N[C@H]2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)[nH]1 ZINC001571213074 953092213 /nfs/dbraw/zinc/09/22/13/953092213.db2.gz QLGFNKZVGFEUMI-NEPJUHHUSA-N -1 1 382.432 1.150 20 0 GDADMM Cc1nc(C)c(C(=O)N[C@H]2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)[nH]1 ZINC001571213074 953092216 /nfs/dbraw/zinc/09/22/16/953092216.db2.gz QLGFNKZVGFEUMI-NEPJUHHUSA-N -1 1 382.432 1.150 20 0 GDADMM CN(c1nccnc1-c1nnn[n-]1)C1CCN(C(=O)[C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC001571214360 953101475 /nfs/dbraw/zinc/10/14/75/953101475.db2.gz XWHWDUXXFAHWSZ-NWANDNLSSA-N -1 1 382.472 1.520 20 0 GDADMM CN(c1nccnc1-c1nn[n-]n1)C1CCN(C(=O)[C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC001571214360 953101476 /nfs/dbraw/zinc/10/14/76/953101476.db2.gz XWHWDUXXFAHWSZ-NWANDNLSSA-N -1 1 382.472 1.520 20 0 GDADMM CC1(C)CC(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(c2ccnc(-c4nn[n-]n4)n2)C3)C1 ZINC001571214443 953101526 /nfs/dbraw/zinc/10/15/26/953101526.db2.gz YRFVLZRWELMASS-YUTCNCBUSA-N -1 1 382.472 1.566 20 0 GDADMM O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571217669 953109970 /nfs/dbraw/zinc/10/99/70/953109970.db2.gz HPTGJVUAGCQVPL-BYNSBNAKSA-N -1 1 382.472 1.886 20 0 GDADMM O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571217669 953109973 /nfs/dbraw/zinc/10/99/73/953109973.db2.gz HPTGJVUAGCQVPL-BYNSBNAKSA-N -1 1 382.472 1.886 20 0 GDADMM O=C([C@H]1CC12CCCC2)N1CCC(CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571217651 953110236 /nfs/dbraw/zinc/11/02/36/953110236.db2.gz GUIDUIXLYMJXDC-CQSZACIVSA-N -1 1 382.472 1.888 20 0 GDADMM O=C([C@H]1CC12CCCC2)N1CCC(CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571217651 953110237 /nfs/dbraw/zinc/11/02/37/953110237.db2.gz GUIDUIXLYMJXDC-CQSZACIVSA-N -1 1 382.472 1.888 20 0 GDADMM O=C(N1CCC(CCNc2nccnc2-c2nnn[n-]2)CC1)C1(C2CC2)CC1 ZINC001571217664 953110316 /nfs/dbraw/zinc/11/03/16/953110316.db2.gz HMVMFHAGOLSWJG-UHFFFAOYSA-N -1 1 382.472 1.888 20 0 GDADMM O=C(N1CCC(CCNc2nccnc2-c2nn[n-]n2)CC1)C1(C2CC2)CC1 ZINC001571217664 953110317 /nfs/dbraw/zinc/11/03/17/953110317.db2.gz HMVMFHAGOLSWJG-UHFFFAOYSA-N -1 1 382.472 1.888 20 0 GDADMM O=C(C1CCC(C2CC2)CC1)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571218062 953113134 /nfs/dbraw/zinc/11/31/34/953113134.db2.gz LBBXURWCWGNVPK-UHFFFAOYSA-N -1 1 382.472 1.522 20 0 GDADMM O=C(C1CCC(C2CC2)CC1)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571218062 953113136 /nfs/dbraw/zinc/11/31/36/953113136.db2.gz LBBXURWCWGNVPK-UHFFFAOYSA-N -1 1 382.472 1.522 20 0 GDADMM O=C(N[C@@H]1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)C1CC2(CCC2)C1 ZINC001571218462 953114814 /nfs/dbraw/zinc/11/48/14/953114814.db2.gz OQQYPKWHQPSXHK-TZMCWYRMSA-N -1 1 382.472 1.356 20 0 GDADMM O=C(N[C@@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cncc(F)c1 ZINC001571218963 953121321 /nfs/dbraw/zinc/12/13/21/953121321.db2.gz IBRQUUKRMLCVQA-CHWSQXEVSA-N -1 1 383.391 1.344 20 0 GDADMM O=C(N[C@@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cncc(F)c1 ZINC001571218963 953121323 /nfs/dbraw/zinc/12/13/23/953121323.db2.gz IBRQUUKRMLCVQA-CHWSQXEVSA-N -1 1 383.391 1.344 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)[C@@H]1CCCC2(CC2)C1 ZINC001571219573 953126796 /nfs/dbraw/zinc/12/67/96/953126796.db2.gz ZPBYRUNRFVNOKW-MGPQQGTHSA-N -1 1 382.472 1.356 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccon2)[C@@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001571222077 953130467 /nfs/dbraw/zinc/13/04/67/953130467.db2.gz BISKKHINSLTYFF-DGCLKSJQSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccon2)[C@@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001571222077 953130470 /nfs/dbraw/zinc/13/04/70/953130470.db2.gz BISKKHINSLTYFF-DGCLKSJQSA-N -1 1 383.416 1.388 20 0 GDADMM CN(CCC1CCN(C(=O)c2cocn2)CC1)c1nccnc1-c1nnn[n-]1 ZINC001571222664 953136516 /nfs/dbraw/zinc/13/65/16/953136516.db2.gz IJHDAJBHKDWTLG-UHFFFAOYSA-N -1 1 383.416 1.023 20 0 GDADMM CN(CCC1CCN(C(=O)c2cocn2)CC1)c1nccnc1-c1nn[n-]n1 ZINC001571222664 953136519 /nfs/dbraw/zinc/13/65/19/953136519.db2.gz IJHDAJBHKDWTLG-UHFFFAOYSA-N -1 1 383.416 1.023 20 0 GDADMM CCc1ocnc1C(=O)N1CC[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)[C@H]1C ZINC001571223276 953143385 /nfs/dbraw/zinc/14/33/85/953143385.db2.gz SEJOQDLDCBBDTQ-MNOVXSKESA-N -1 1 383.416 1.231 20 0 GDADMM CCc1ocnc1C(=O)N1CC[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)[C@H]1C ZINC001571223276 953143391 /nfs/dbraw/zinc/14/33/91/953143391.db2.gz SEJOQDLDCBBDTQ-MNOVXSKESA-N -1 1 383.416 1.231 20 0 GDADMM CC(C)c1cc(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)no1 ZINC001571223446 953144350 /nfs/dbraw/zinc/14/43/50/953144350.db2.gz RDHKMTRCZWBJSL-XYPYZODXSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1cc(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)no1 ZINC001571223446 953144356 /nfs/dbraw/zinc/14/43/56/953144356.db2.gz RDHKMTRCZWBJSL-XYPYZODXSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)(C)c1cc(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)no1 ZINC001571223709 953146197 /nfs/dbraw/zinc/14/61/97/953146197.db2.gz SWSPFWOOEXVAKO-JTQLQIEISA-N -1 1 383.416 1.269 20 0 GDADMM CC(C)(C)c1cc(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)no1 ZINC001571223709 953146203 /nfs/dbraw/zinc/14/62/03/953146203.db2.gz SWSPFWOOEXVAKO-JTQLQIEISA-N -1 1 383.416 1.269 20 0 GDADMM Cc1cc(C(=O)N2CCCC[C@@H]2CNc2nc(C)cc(-c3nnn[n-]3)n2)on1 ZINC001571226392 953155451 /nfs/dbraw/zinc/15/54/51/953155451.db2.gz PRPFXHSQROICDL-GFCCVEGCSA-N -1 1 383.416 1.368 20 0 GDADMM Cc1cc(C(=O)N2CCCC[C@@H]2CNc2nc(C)cc(-c3nn[n-]n3)n2)on1 ZINC001571226392 953155452 /nfs/dbraw/zinc/15/54/52/953155452.db2.gz PRPFXHSQROICDL-GFCCVEGCSA-N -1 1 383.416 1.368 20 0 GDADMM Cc1ncoc1C(=O)N1CCCCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571226682 953156856 /nfs/dbraw/zinc/15/68/56/953156856.db2.gz VZEJGFYNNMOBFB-GFCCVEGCSA-N -1 1 383.416 1.450 20 0 GDADMM Cc1ncoc1C(=O)N1CCCCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571226682 953156860 /nfs/dbraw/zinc/15/68/60/953156860.db2.gz VZEJGFYNNMOBFB-GFCCVEGCSA-N -1 1 383.416 1.450 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)[C@H]2CCCN(C(=O)c3cnco3)C2)n1 ZINC001571227120 953158546 /nfs/dbraw/zinc/15/85/46/953158546.db2.gz ZEZVIGJVCOCRHJ-NEPJUHHUSA-N -1 1 383.416 1.306 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)[C@H]2CCCN(C(=O)c3cnco3)C2)n1 ZINC001571227120 953158548 /nfs/dbraw/zinc/15/85/48/953158548.db2.gz ZEZVIGJVCOCRHJ-NEPJUHHUSA-N -1 1 383.416 1.306 20 0 GDADMM O=C(C[C@@H]1CCCO1)N1CC[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571234647 953204845 /nfs/dbraw/zinc/20/48/45/953204845.db2.gz FGKAZJSNKWVECA-BDAKNGLRSA-N -1 1 383.865 1.559 20 0 GDADMM COCC(=O)N1CC[C@]2(CCN(c3snc(Cl)c3-c3nnn[n-]3)C2)C1 ZINC001571234758 953205247 /nfs/dbraw/zinc/20/52/47/953205247.db2.gz HXXFJOVIDOQLJA-AWEZNQCLSA-N -1 1 383.865 1.052 20 0 GDADMM COCC(=O)N1CC[C@]2(CCN(c3snc(Cl)c3-c3nn[n-]n3)C2)C1 ZINC001571234758 953205249 /nfs/dbraw/zinc/20/52/49/953205249.db2.gz HXXFJOVIDOQLJA-AWEZNQCLSA-N -1 1 383.865 1.052 20 0 GDADMM COc1cc(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)ccc1F ZINC001571234885 953206760 /nfs/dbraw/zinc/20/67/60/953206760.db2.gz LTHLMJJKVHMSJQ-LLVKDONJSA-N -1 1 384.375 1.131 20 0 GDADMM COc1cc(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)ccc1F ZINC001571234885 953206766 /nfs/dbraw/zinc/20/67/66/953206766.db2.gz LTHLMJJKVHMSJQ-LLVKDONJSA-N -1 1 384.375 1.131 20 0 GDADMM O=C(C[C@H]1CCCO1)N[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571235165 953209577 /nfs/dbraw/zinc/20/95/77/953209577.db2.gz VTLWSYDYROQVGG-RKDXNWHRSA-N -1 1 383.865 1.241 20 0 GDADMM COCC(=O)N1CCC[C@H]2[C@@H]1CCN2c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001571235272 953210294 /nfs/dbraw/zinc/21/02/94/953210294.db2.gz YQEQOCCTDNMCOX-IUCAKERBSA-N -1 1 383.865 1.193 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](NC(=O)c3cccs3)[C@H]2C)n1 ZINC001571244529 953264048 /nfs/dbraw/zinc/26/40/48/953264048.db2.gz AGRLCLQBMVWJLB-NEPJUHHUSA-N -1 1 384.469 1.814 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](NC(=O)c3cccs3)[C@H]2C)n1 ZINC001571244529 953264049 /nfs/dbraw/zinc/26/40/49/953264049.db2.gz AGRLCLQBMVWJLB-NEPJUHHUSA-N -1 1 384.469 1.814 20 0 GDADMM Cc1sccc1C(=O)NCC1CC(Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571244770 953266368 /nfs/dbraw/zinc/26/63/68/953266368.db2.gz HVCMQDCQQAMNSS-UHFFFAOYSA-N -1 1 384.469 1.956 20 0 GDADMM Cc1sccc1C(=O)NCC1CC(Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571244770 953266370 /nfs/dbraw/zinc/26/63/70/953266370.db2.gz HVCMQDCQQAMNSS-UHFFFAOYSA-N -1 1 384.469 1.956 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cccs2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571244928 953268329 /nfs/dbraw/zinc/26/83/29/953268329.db2.gz AEHRFJRRPJIPPW-VXGBXAGGSA-N -1 1 384.469 1.493 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001571245169 953270421 /nfs/dbraw/zinc/27/04/21/953270421.db2.gz FANKBCHKXYPMGZ-RYUDHWBXSA-N -1 1 384.469 1.607 20 0 GDADMM Cc1csc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)[C@@H]2C)c1 ZINC001571245168 953270603 /nfs/dbraw/zinc/27/06/03/953270603.db2.gz OWDYNBJRMIFECW-VXGBXAGGSA-N -1 1 384.469 1.814 20 0 GDADMM Cc1csc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)[C@@H]2C)c1 ZINC001571245168 953270605 /nfs/dbraw/zinc/27/06/05/953270605.db2.gz OWDYNBJRMIFECW-VXGBXAGGSA-N -1 1 384.469 1.814 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)s1 ZINC001571245363 953272885 /nfs/dbraw/zinc/27/28/85/953272885.db2.gz SBOHDSVZCCSJPI-GFCCVEGCSA-N -1 1 384.469 1.413 20 0 GDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)NC[C@@]1(CO)C[C@H]1c1ccccc1 ZINC001571246059 953279102 /nfs/dbraw/zinc/27/91/02/953279102.db2.gz RNVAWRPGQXVPKN-KBXCAEBGSA-N -1 1 384.465 1.894 20 0 GDADMM Cc1nsc(N2C[C@@H](C)[C@H](NC(=O)Cc3cccnc3)C2)c1-c1nn[n-]n1 ZINC001571247723 953285597 /nfs/dbraw/zinc/28/55/97/953285597.db2.gz CJSVVIBRKAIRAC-ZWNOBZJWSA-N -1 1 384.469 1.210 20 0 GDADMM O=C(CCc1cccs1)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571248310 953291683 /nfs/dbraw/zinc/29/16/83/953291683.db2.gz QCYZTRYKFXJOFQ-UHFFFAOYSA-N -1 1 384.469 1.390 20 0 GDADMM O=C(CCc1cccs1)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571248310 953291686 /nfs/dbraw/zinc/29/16/86/953291686.db2.gz QCYZTRYKFXJOFQ-UHFFFAOYSA-N -1 1 384.469 1.390 20 0 GDADMM O=C(Cc1ccsc1)N[C@@H]1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571248749 953296896 /nfs/dbraw/zinc/29/68/96/953296896.db2.gz ZDKYBRNZKBETQF-DGCLKSJQSA-N -1 1 384.469 1.080 20 0 GDADMM CC1(C)CC(CC(=O)N[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CC2(C)C)C1 ZINC001571249110 953300064 /nfs/dbraw/zinc/30/00/64/953300064.db2.gz DHPCGALCNUXDBH-ZDUSSCGKSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)CC(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2(C)C)C1 ZINC001571249235 953302896 /nfs/dbraw/zinc/30/28/96/953302896.db2.gz GNLSGMYNPWCLFX-CQSZACIVSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)CC(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2(C)C)C1 ZINC001571249235 953302900 /nfs/dbraw/zinc/30/29/00/953302900.db2.gz GNLSGMYNPWCLFX-CQSZACIVSA-N -1 1 384.488 1.814 20 0 GDADMM CC[C@H]1CCC[C@@H]1C(=O)N1CCC(N(C)c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571249368 953304229 /nfs/dbraw/zinc/30/42/29/953304229.db2.gz HZABWKSRGLBZKP-ZFWWWQNUSA-N -1 1 384.488 1.910 20 0 GDADMM CC[C@H]1CCC[C@@H]1C(=O)N1CCC(N(C)c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571249368 953304233 /nfs/dbraw/zinc/30/42/33/953304233.db2.gz HZABWKSRGLBZKP-ZFWWWQNUSA-N -1 1 384.488 1.910 20 0 GDADMM CC1(C)CC[C@H]1C(=O)N1CCC[C@@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571249392 953304760 /nfs/dbraw/zinc/30/47/60/953304760.db2.gz ICZAOTRZFGJMAJ-KBPBESRZSA-N -1 1 384.488 1.555 20 0 GDADMM CC(C)(C)CC(=O)N1CCC[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CC[C@@H]21 ZINC001571249454 953305128 /nfs/dbraw/zinc/30/51/28/953305128.db2.gz JGLPLWYTFKIHRE-KGLIPLIRSA-N -1 1 384.488 1.910 20 0 GDADMM CC1(C)CC(CC(=O)N[C@H]2CC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571249680 953307140 /nfs/dbraw/zinc/30/71/40/953307140.db2.gz KJBXZVDQTKAWMC-OCCSQVGLSA-N -1 1 384.488 1.602 20 0 GDADMM CC(C)(C)CC(=O)N1C[C@@]2(C)CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@]2(C)C1 ZINC001571250083 953308763 /nfs/dbraw/zinc/30/87/63/953308763.db2.gz NXNLIMBDJGAYIJ-KDURUIRLSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)(C)CC(=O)N1C[C@@]2(C)CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@]2(C)C1 ZINC001571250083 953308767 /nfs/dbraw/zinc/30/87/67/953308767.db2.gz NXNLIMBDJGAYIJ-KDURUIRLSA-N -1 1 384.488 1.768 20 0 GDADMM CC[C@H]1CCC[C@@]1(C)C(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571250274 953310175 /nfs/dbraw/zinc/31/01/75/953310175.db2.gz PVHLLBLHAYVSAH-ORAYPTAESA-N -1 1 384.488 1.698 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](C)[C@H](CCNc2nccnc2-c2nnn[n-]2)C1)C1CCC1 ZINC001571250487 953311211 /nfs/dbraw/zinc/31/12/11/953311211.db2.gz QDBUKBKEQOFDQC-VNHYZAJKSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](C)[C@H](CCNc2nccnc2-c2nn[n-]n2)C1)C1CCC1 ZINC001571250487 953311215 /nfs/dbraw/zinc/31/12/15/953311215.db2.gz QDBUKBKEQOFDQC-VNHYZAJKSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)CCC(C)CC2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571250650 953312573 /nfs/dbraw/zinc/31/25/73/953312573.db2.gz RRQKYORWUWYZNQ-IXVUQVCVSA-N -1 1 384.488 1.554 20 0 GDADMM 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ZINC001571252519 953329384 /nfs/dbraw/zinc/32/93/84/953329384.db2.gz OGBUICKGEMTTSJ-CQSZACIVSA-N -1 1 384.488 1.837 20 0 GDADMM CN(C[C@@H]1CCCN(C(=O)CC2CCCC2)C1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571252747 953332964 /nfs/dbraw/zinc/33/29/64/953332964.db2.gz VQDJHIFZJUPZTE-HNNXBMFYSA-N -1 1 384.488 1.912 20 0 GDADMM CN(C[C@@H]1CCCN(C(=O)CC2CCCC2)C1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571252747 953332966 /nfs/dbraw/zinc/33/29/66/953332966.db2.gz VQDJHIFZJUPZTE-HNNXBMFYSA-N -1 1 384.488 1.912 20 0 GDADMM Cc1[nH]nc(NC(=O)c2ccnc(NC(=O)OC(C)(C)C)c2)c1-c1nn[n-]n1 ZINC001571256228 953366648 /nfs/dbraw/zinc/36/66/48/953366648.db2.gz QPFRWKZAYNENEJ-UHFFFAOYSA-N -1 1 385.388 1.893 20 0 GDADMM CCC(CC)(CNC(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1)C(=O)[O-] ZINC000424410218 953474807 /nfs/dbraw/zinc/47/48/07/953474807.db2.gz NAYBSZAAQNTGOL-UHFFFAOYSA-N -1 1 398.548 1.803 20 0 GDADMM CC(C)(C)NC(=O)CN1CCC(CNC(=O)NCCC(C)(C)C(=O)[O-])CC1 ZINC000424419868 953480594 /nfs/dbraw/zinc/48/05/94/953480594.db2.gz 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GDADMM O=C(NCCCNc1c2ccccc2nnc1-c1nnn[n-]1)c1cccc(O)c1 ZINC000738064726 598965925 /nfs/dbraw/zinc/96/59/25/598965925.db2.gz DMDQLFLLLQHZRJ-UHFFFAOYSA-N -1 1 390.407 1.748 20 0 GDADMM O=C(NCCCNc1c2ccccc2nnc1-c1nn[n-]n1)c1cccc(O)c1 ZINC000738064726 598965926 /nfs/dbraw/zinc/96/59/26/598965926.db2.gz DMDQLFLLLQHZRJ-UHFFFAOYSA-N -1 1 390.407 1.748 20 0 GDADMM COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736951529 598979192 /nfs/dbraw/zinc/97/91/92/598979192.db2.gz OZWBRIZGKBFTGX-UHFFFAOYSA-N -1 1 382.336 1.087 20 0 GDADMM COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736951529 598979194 /nfs/dbraw/zinc/97/91/94/598979194.db2.gz OZWBRIZGKBFTGX-UHFFFAOYSA-N -1 1 382.336 1.087 20 0 GDADMM CCN1C[C@H](CN(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)Oc2ccccc21 ZINC000736564481 598984678 /nfs/dbraw/zinc/98/46/78/598984678.db2.gz BXHJACXEGUVRKC-AWEZNQCLSA-N -1 1 379.424 1.621 20 0 GDADMM CCN1C[C@H](CN(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)Oc2ccccc21 ZINC000736564481 598984680 /nfs/dbraw/zinc/98/46/80/598984680.db2.gz BXHJACXEGUVRKC-AWEZNQCLSA-N -1 1 379.424 1.621 20 0 GDADMM CCOc1cc2c(cc1CNC(=O)c1ccc(-c3nnn[n-]3)nc1)O[C@H](C)C2 ZINC000736633838 598984938 /nfs/dbraw/zinc/98/49/38/598984938.db2.gz DGHSXSQCWWLNAE-LLVKDONJSA-N -1 1 380.408 1.914 20 0 GDADMM CCOc1cc2c(cc1CNC(=O)c1ccc(-c3nn[n-]n3)nc1)O[C@H](C)C2 ZINC000736633838 598984940 /nfs/dbraw/zinc/98/49/40/598984940.db2.gz DGHSXSQCWWLNAE-LLVKDONJSA-N -1 1 380.408 1.914 20 0 GDADMM COc1ccc(C)cc1CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000737075538 598985175 /nfs/dbraw/zinc/98/51/75/598985175.db2.gz FDJMLHILTRGYQU-UHFFFAOYSA-N -1 1 393.451 1.537 20 0 GDADMM COc1ccc(C)cc1CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000737075538 598985176 /nfs/dbraw/zinc/98/51/76/598985176.db2.gz FDJMLHILTRGYQU-UHFFFAOYSA-N -1 1 393.451 1.537 20 0 GDADMM CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736325946 598992034 /nfs/dbraw/zinc/99/20/34/598992034.db2.gz LDEOUPALJSWXOP-GFCCVEGCSA-N -1 1 379.424 1.720 20 0 GDADMM CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736325946 598992035 /nfs/dbraw/zinc/99/20/35/598992035.db2.gz LDEOUPALJSWXOP-GFCCVEGCSA-N -1 1 379.424 1.720 20 0 GDADMM O=C(Nc1cccc(N2CCCS2(=O)=O)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738184151 598993347 /nfs/dbraw/zinc/99/33/47/598993347.db2.gz BTPBTIJRBOIQRG-UHFFFAOYSA-N -1 1 385.409 1.054 20 0 GDADMM O=C(Nc1cccc(N2CCCS2(=O)=O)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738184151 598993348 /nfs/dbraw/zinc/99/33/48/598993348.db2.gz BTPBTIJRBOIQRG-UHFFFAOYSA-N -1 1 385.409 1.054 20 0 GDADMM O=C(NCc1ccc(Cn2ccccc2=O)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738103552 598997803 /nfs/dbraw/zinc/99/78/03/598997803.db2.gz LQQYFUALSULVQB-UHFFFAOYSA-N -1 1 387.403 1.402 20 0 GDADMM O=C(NCc1ccc(Cn2ccccc2=O)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738103552 598997805 /nfs/dbraw/zinc/99/78/05/598997805.db2.gz LQQYFUALSULVQB-UHFFFAOYSA-N -1 1 387.403 1.402 20 0 GDADMM Cc1occc1C(=O)NC1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000737556238 599002204 /nfs/dbraw/zinc/00/22/04/599002204.db2.gz IIEKSWGSTQNOOK-UHFFFAOYSA-N -1 1 381.396 1.198 20 0 GDADMM Cc1occc1C(=O)NC1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000737556238 599002206 /nfs/dbraw/zinc/00/22/06/599002206.db2.gz IIEKSWGSTQNOOK-UHFFFAOYSA-N -1 1 381.396 1.198 20 0 GDADMM O=S(=O)(N[C@@H]1C[C@H]1c1c(F)cccc1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000738330664 599007588 /nfs/dbraw/zinc/00/75/88/599007588.db2.gz RMTHSRJKDQJEKK-NOZJJQNGSA-N -1 1 394.819 1.889 20 0 GDADMM O=S(=O)(N[C@@H]1C[C@H]1c1c(F)cccc1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000738330664 599007589 /nfs/dbraw/zinc/00/75/89/599007589.db2.gz RMTHSRJKDQJEKK-NOZJJQNGSA-N -1 1 394.819 1.889 20 0 GDADMM Cc1ccc(C(=O)n2ncc(-c3nn[n-]n3)c2N)cc1NC(=O)NC(C)(C)C ZINC000737318693 599014221 /nfs/dbraw/zinc/01/42/21/599014221.db2.gz WWVFWEXEINRXRU-UHFFFAOYSA-N -1 1 383.416 1.562 20 0 GDADMM CN1CCN(C(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)CC1=O ZINC000736855381 599024223 /nfs/dbraw/zinc/02/42/23/599024223.db2.gz BOJNAQDIDCHJAR-UHFFFAOYSA-N -1 1 397.464 1.579 20 0 GDADMM O=C(NCCc1nc(-c2ccccn2)cs1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738087532 599031322 /nfs/dbraw/zinc/03/13/22/599031322.db2.gz IIRXMQXHGZOAPP-UHFFFAOYSA-N -1 1 378.421 1.753 20 0 GDADMM O=C(NCCc1nc(-c2ccccn2)cs1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738087532 599031323 /nfs/dbraw/zinc/03/13/23/599031323.db2.gz IIRXMQXHGZOAPP-UHFFFAOYSA-N -1 1 378.421 1.753 20 0 GDADMM O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738125187 599033642 /nfs/dbraw/zinc/03/36/42/599033642.db2.gz XDSCZHKWSCWCOU-UHFFFAOYSA-N -1 1 382.771 1.895 20 0 GDADMM O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738125187 599033643 /nfs/dbraw/zinc/03/36/43/599033643.db2.gz XDSCZHKWSCWCOU-UHFFFAOYSA-N -1 1 382.771 1.895 20 0 GDADMM C[C@@H](Oc1ccc(Oc2c3ccccc3nnc2-c2nn[n-]n2)cc1)C(N)=O ZINC000820534278 599035632 /nfs/dbraw/zinc/03/56/32/599035632.db2.gz KYARCBIYGNUSHO-SNVBAGLBSA-N -1 1 377.364 1.855 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000737549207 599054839 /nfs/dbraw/zinc/05/48/39/599054839.db2.gz UMRCRUAFWGGQMT-OAHLLOKOSA-N -1 1 396.329 1.698 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000737549207 599054842 /nfs/dbraw/zinc/05/48/42/599054842.db2.gz UMRCRUAFWGGQMT-OAHLLOKOSA-N -1 1 396.329 1.698 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@@H](C)c1cnn(C)c1 ZINC000737486326 599077950 /nfs/dbraw/zinc/07/79/50/599077950.db2.gz DFMTUPXWSCNKAO-JTQLQIEISA-N -1 1 394.443 1.070 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@@H](C)c1cnn(C)c1 ZINC000737486326 599077953 /nfs/dbraw/zinc/07/79/53/599077953.db2.gz DFMTUPXWSCNKAO-JTQLQIEISA-N -1 1 394.443 1.070 20 0 GDADMM COCCN(C(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(OC)c(OC)c1 ZINC000736988446 599093593 /nfs/dbraw/zinc/09/35/93/599093593.db2.gz NIZXKTJKZURQQL-UHFFFAOYSA-N -1 1 384.396 1.572 20 0 GDADMM COCCN(C(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(OC)c(OC)c1 ZINC000736988446 599093596 /nfs/dbraw/zinc/09/35/96/599093596.db2.gz NIZXKTJKZURQQL-UHFFFAOYSA-N -1 1 384.396 1.572 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCCC(=O)OC(C)(C)C ZINC000737201885 599102514 /nfs/dbraw/zinc/10/25/14/599102514.db2.gz XJAFLWSTUYSLGS-UHFFFAOYSA-N -1 1 390.444 1.365 20 0 GDADMM COC[C@@H]1CN(C(=O)c2cc(C3CC3)nc(SC)c2-c2nn[n-]n2)CCO1 ZINC000736976854 599105039 /nfs/dbraw/zinc/10/50/39/599105039.db2.gz QSGMQHFVMLWWRH-NSHDSACASA-N -1 1 390.469 1.348 20 0 GDADMM COc1ccccc1[C@H](C)N(C)C(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737140890 599141140 /nfs/dbraw/zinc/14/11/40/599141140.db2.gz GKMQAISWCYWNOJ-LBPRGKRZSA-N -1 1 396.407 1.647 20 0 GDADMM COc1ccccc1[C@H](C)N(C)C(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737140890 599141142 /nfs/dbraw/zinc/14/11/42/599141142.db2.gz GKMQAISWCYWNOJ-LBPRGKRZSA-N -1 1 396.407 1.647 20 0 GDADMM C[C@@H]1CCCC[C@@H]1OCCNC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736273831 599142737 /nfs/dbraw/zinc/14/27/37/599142737.db2.gz SCRMBAAXOHXJKC-DOMZBBRYSA-N -1 1 388.428 1.130 20 0 GDADMM C[C@@H]1CCCC[C@@H]1OCCNC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736273831 599142739 /nfs/dbraw/zinc/14/27/39/599142739.db2.gz SCRMBAAXOHXJKC-DOMZBBRYSA-N -1 1 388.428 1.130 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)NCCc1c(F)cccc1F ZINC000737909236 599144339 /nfs/dbraw/zinc/14/43/39/599144339.db2.gz QVJNVOIUYCMGNU-UHFFFAOYSA-N -1 1 388.334 1.056 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)NCCc1c(F)cccc1F ZINC000737909236 599144340 /nfs/dbraw/zinc/14/43/40/599144340.db2.gz QVJNVOIUYCMGNU-UHFFFAOYSA-N -1 1 388.334 1.056 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCc2c(cccc2N2CCOC2=O)C1 ZINC000823477768 599194760 /nfs/dbraw/zinc/19/47/60/599194760.db2.gz BJNBEEMYTUUFBP-UHFFFAOYSA-N -1 1 391.391 1.417 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCc2c(cccc2N2CCOC2=O)C1 ZINC000823477768 599194761 /nfs/dbraw/zinc/19/47/61/599194761.db2.gz BJNBEEMYTUUFBP-UHFFFAOYSA-N -1 1 391.391 1.417 20 0 GDADMM O=C(NCc1nn[n-]n1)c1cccc(Oc2ccc(Cl)cc2-c2nn[nH]n2)c1 ZINC000738129093 599203508 /nfs/dbraw/zinc/20/35/08/599203508.db2.gz OEFAQHRWADHDLY-UHFFFAOYSA-N -1 1 397.786 1.756 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1cnn(CC2CC2)c1 ZINC000822010128 599219185 /nfs/dbraw/zinc/21/91/85/599219185.db2.gz OUPBFMDRWFFTQY-UHFFFAOYSA-N -1 1 382.428 1.762 20 0 GDADMM CCNc1ncc(C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)s1 ZINC000821315404 607263892 /nfs/dbraw/zinc/26/38/92/607263892.db2.gz SWWWFUXTPPEKFB-UHFFFAOYSA-N -1 1 391.413 1.760 20 0 GDADMM CC(=O)N1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c2ccccc21 ZINC000735465008 599235728 /nfs/dbraw/zinc/23/57/28/599235728.db2.gz FRSCPNMWQUVPJC-UHFFFAOYSA-N -1 1 399.436 1.214 20 0 GDADMM CC(=O)N1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c2ccccc21 ZINC000735465008 599235730 /nfs/dbraw/zinc/23/57/30/599235730.db2.gz FRSCPNMWQUVPJC-UHFFFAOYSA-N -1 1 399.436 1.214 20 0 GDADMM CN1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)NCCC(=O)[O-])CC1 ZINC000818482419 597225390 /nfs/dbraw/zinc/22/53/90/597225390.db2.gz VABMZCHZXFOUAM-UHFFFAOYSA-N -1 1 388.390 1.731 20 0 GDADMM CCOc1ccc(N2C[C@H](C(=O)N=c3cc[nH]cc3-c3nn[n-]n3)CC2=O)cc1 ZINC000736645584 599251275 /nfs/dbraw/zinc/25/12/75/599251275.db2.gz BBXSXBXOPYVVRW-GFCCVEGCSA-N -1 1 393.407 1.074 20 0 GDADMM COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000485880713 597329002 /nfs/dbraw/zinc/32/90/02/597329002.db2.gz JOMDHPFEPMZAHN-NSHDSACASA-N -1 1 378.406 1.699 20 0 GDADMM CS(=O)(=O)CCOc1cccc(NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC000821926830 607316226 /nfs/dbraw/zinc/31/62/26/607316226.db2.gz MAFCOLQYARKJFV-UHFFFAOYSA-N -1 1 379.467 1.964 20 0 GDADMM Cc1cc(F)cc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1 ZINC000822203279 607319341 /nfs/dbraw/zinc/31/93/41/607319341.db2.gz MEGXFXQPLJQOFF-GFCCVEGCSA-N -1 1 397.418 1.847 20 0 GDADMM Cc1cc(F)cc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1 ZINC000822203279 607319342 /nfs/dbraw/zinc/31/93/42/607319342.db2.gz MEGXFXQPLJQOFF-GFCCVEGCSA-N -1 1 397.418 1.847 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OCC1(O)CCCC1 ZINC000822458644 607323855 /nfs/dbraw/zinc/32/38/55/607323855.db2.gz HCOSBTTYKRWHLT-UHFFFAOYSA-N -1 1 385.428 1.307 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OCC1(O)CCCC1 ZINC000822458644 607323856 /nfs/dbraw/zinc/32/38/56/607323856.db2.gz HCOSBTTYKRWHLT-UHFFFAOYSA-N -1 1 385.428 1.307 20 0 GDADMM C[C@H](Cc1ccccc1Cl)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736056455 598264794 /nfs/dbraw/zinc/26/47/94/598264794.db2.gz BVJCIVPMFOEPRZ-SNVBAGLBSA-N -1 1 378.845 1.825 20 0 GDADMM C[C@H](Cc1ccccc1Cl)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736056455 598264795 /nfs/dbraw/zinc/26/47/95/598264795.db2.gz BVJCIVPMFOEPRZ-SNVBAGLBSA-N -1 1 378.845 1.825 20 0 GDADMM CCCCOc1cccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736464259 598265615 /nfs/dbraw/zinc/26/56/15/598265615.db2.gz XETMTMDBPFWVNC-UHFFFAOYSA-N -1 1 388.453 1.919 20 0 GDADMM CCCCOc1cccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736464259 598265616 /nfs/dbraw/zinc/26/56/16/598265616.db2.gz XETMTMDBPFWVNC-UHFFFAOYSA-N -1 1 388.453 1.919 20 0 GDADMM C[C@H](COc1ccc(F)cc1F)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736039018 598268302 /nfs/dbraw/zinc/26/83/02/598268302.db2.gz YXWLTWFBHFAWQB-SECBINFHSA-N -1 1 396.379 1.286 20 0 GDADMM C[C@H](COc1ccc(F)cc1F)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736039018 598268304 /nfs/dbraw/zinc/26/83/04/598268304.db2.gz YXWLTWFBHFAWQB-SECBINFHSA-N -1 1 396.379 1.286 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)O[C@@H](C)C(=O)NCC(C)C ZINC000737200911 598307988 /nfs/dbraw/zinc/30/79/88/598307988.db2.gz OEFZKKXXUOYETI-LBPRGKRZSA-N -1 1 390.444 1.221 20 0 GDADMM O=C(c1ccc(F)cc1Cl)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000738266814 598350836 /nfs/dbraw/zinc/35/08/36/598350836.db2.gz LGPBAROOHJVMPS-UHFFFAOYSA-N -1 1 388.794 1.412 20 0 GDADMM O=C(c1ccc(F)cc1Cl)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000738266814 598350838 /nfs/dbraw/zinc/35/08/38/598350838.db2.gz LGPBAROOHJVMPS-UHFFFAOYSA-N -1 1 388.794 1.412 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)Cc2cc(Br)ccc2F)n1 ZINC000822604685 607353308 /nfs/dbraw/zinc/35/33/08/607353308.db2.gz JAYOEXFBDUAMLR-UHFFFAOYSA-N -1 1 380.181 1.683 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)Cc2cc(Br)ccc2F)n1 ZINC000822604685 607353310 /nfs/dbraw/zinc/35/33/10/607353310.db2.gz JAYOEXFBDUAMLR-UHFFFAOYSA-N -1 1 380.181 1.683 20 0 GDADMM COc1cc2c(nn1)CCN([C@H](C)C(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)C2 ZINC000737055180 598364725 /nfs/dbraw/zinc/36/47/25/598364725.db2.gz JXBIYROBXUZNHI-SNVBAGLBSA-N -1 1 398.427 1.260 20 0 GDADMM Cc1oc(NC(=O)[C@H](C)N2CCn3c(nnc3C(C)C)C2)c(-c2nn[n-]n2)c1C ZINC000737550610 598367523 /nfs/dbraw/zinc/36/75/23/598367523.db2.gz AXLGUQHTSZIPKZ-NSHDSACASA-N -1 1 399.459 1.634 20 0 GDADMM CCc1nn(C[C@H](O)c2ccc(F)cc2F)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736704982 598374186 /nfs/dbraw/zinc/37/41/86/598374186.db2.gz BINZCYMOWLMURX-AWEZNQCLSA-N -1 1 376.367 1.560 20 0 GDADMM O=C(N[C@@H]1CCCNC1=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000738022436 598402577 /nfs/dbraw/zinc/40/25/77/598402577.db2.gz FQEXAXJUUQRQPK-CQSZACIVSA-N -1 1 396.382 1.807 20 0 GDADMM O=C(N[C@@H]1CCCNC1=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000738022436 598402579 /nfs/dbraw/zinc/40/25/79/598402579.db2.gz FQEXAXJUUQRQPK-CQSZACIVSA-N -1 1 396.382 1.807 20 0 GDADMM O=C(COC(=O)[C@@H]1CC=CCC1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000737910018 598409583 /nfs/dbraw/zinc/40/95/83/598409583.db2.gz XAKVOMJVPNGUDC-CYBMUJFWSA-N -1 1 393.407 1.890 20 0 GDADMM O=C(COC(=O)[C@@H]1CC=CCC1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737910018 598409584 /nfs/dbraw/zinc/40/95/84/598409584.db2.gz XAKVOMJVPNGUDC-CYBMUJFWSA-N -1 1 393.407 1.890 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)Nc1ccnc2ccnn21 ZINC000737549887 598533950 /nfs/dbraw/zinc/53/39/50/598533950.db2.gz ZVAMPRVENWITHO-UHFFFAOYSA-N -1 1 375.352 1.854 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Nc1ccnc2ccnn21 ZINC000737549887 598533952 /nfs/dbraw/zinc/53/39/52/598533952.db2.gz ZVAMPRVENWITHO-UHFFFAOYSA-N -1 1 375.352 1.854 20 0 GDADMM CCc1nc(CN2CCC[C@H](Nc3ccc(Cl)c(-c4nnn[n-]4)n3)C2)no1 ZINC000736704561 598580249 /nfs/dbraw/zinc/58/02/49/598580249.db2.gz QYEFGSAWBWMKPC-JTQLQIEISA-N -1 1 389.851 1.937 20 0 GDADMM CCc1nc(CN2CCC[C@H](Nc3ccc(Cl)c(-c4nn[n-]n4)n3)C2)no1 ZINC000736704561 598580250 /nfs/dbraw/zinc/58/02/50/598580250.db2.gz QYEFGSAWBWMKPC-JTQLQIEISA-N -1 1 389.851 1.937 20 0 GDADMM Cc1cc(NCCCc2[nH]nc(N)c2-c2nnn[n-]2)nc(-c2ccccn2)n1 ZINC000737279523 598592778 /nfs/dbraw/zinc/59/27/78/598592778.db2.gz FFZVUGMYPGQAOQ-UHFFFAOYSA-N -1 1 377.416 1.377 20 0 GDADMM Cc1cc(NCCCc2[nH]nc(N)c2-c2nn[n-]n2)nc(-c2ccccn2)n1 ZINC000737279523 598592780 /nfs/dbraw/zinc/59/27/80/598592780.db2.gz FFZVUGMYPGQAOQ-UHFFFAOYSA-N -1 1 377.416 1.377 20 0 GDADMM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[nH]n3)c2)cc1 ZINC000737173665 598593859 /nfs/dbraw/zinc/59/38/59/598593859.db2.gz LCCRYNVTPUYDKY-UHFFFAOYSA-N -1 1 397.413 1.210 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H]2CCCC[C@@H]2Cc2ccccc2)n(C)c1=O ZINC000737595073 598613596 /nfs/dbraw/zinc/61/35/96/598613596.db2.gz FJTFLOWRQUFPIW-CABCVRRESA-N -1 1 395.467 1.478 20 0 GDADMM CCn1c(Cn2cc(C(=O)OC)cc(-c3nn[n-]n3)c2=O)nc2c1cccc2F ZINC000736712800 598644624 /nfs/dbraw/zinc/64/46/24/598644624.db2.gz CMXMOPNWTHNXPN-UHFFFAOYSA-N -1 1 397.370 1.372 20 0 GDADMM CC(=O)Nc1ccc(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000735488828 598686162 /nfs/dbraw/zinc/68/61/62/598686162.db2.gz OYWKJGRNFIGPIY-UHFFFAOYSA-N -1 1 377.357 1.732 20 0 GDADMM NC(=O)c1ccc(Cl)cc1OS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737759064 598693832 /nfs/dbraw/zinc/69/38/32/598693832.db2.gz GLHGQXUTNCYRIZ-UHFFFAOYSA-N -1 1 397.775 1.526 20 0 GDADMM CC[C@@H]1CN(C(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)C[C@H](C)O1 ZINC000736411214 598696368 /nfs/dbraw/zinc/69/63/68/598696368.db2.gz PJRBKVMITSRWPK-SMDDNHRTSA-N -1 1 398.471 1.485 20 0 GDADMM CC[C@@H]1CN(C(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)C[C@H](C)O1 ZINC000736411214 598696370 /nfs/dbraw/zinc/69/63/70/598696370.db2.gz PJRBKVMITSRWPK-SMDDNHRTSA-N -1 1 398.471 1.485 20 0 GDADMM CCN(CC)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736522543 598709089 /nfs/dbraw/zinc/70/90/89/598709089.db2.gz LUETUHWKSCKZIZ-AWEZNQCLSA-N -1 1 396.448 1.027 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCO[C@H](c2nccs2)C1 ZINC000738353779 598710390 /nfs/dbraw/zinc/71/03/90/598710390.db2.gz GVLWVDWAIOQLKE-LBPRGKRZSA-N -1 1 396.429 1.225 20 0 GDADMM Cc1ccc(CNC(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)cc1F ZINC000737342073 598719586 /nfs/dbraw/zinc/71/95/86/598719586.db2.gz KBKDJAYZOOEWOH-UHFFFAOYSA-N -1 1 392.394 1.946 20 0 GDADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)N1CCO[C@H]2CCCC[C@@H]21 ZINC000737981231 598720200 /nfs/dbraw/zinc/72/02/00/598720200.db2.gz KGUXYAKUKRKGEI-IRXDYDNUSA-N -1 1 394.435 1.352 20 0 GDADMM Cc1cc(NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)no1 ZINC000737275607 598721066 /nfs/dbraw/zinc/72/10/66/598721066.db2.gz SEPISSKUYXTWPC-UHFFFAOYSA-N -1 1 385.771 1.770 20 0 GDADMM c1cnc2nc(N3CCN(c4oc(C5CC5)nc4-c4nn[n-]n4)CC3)ccc2n1 ZINC000738445607 598745558 /nfs/dbraw/zinc/74/55/58/598745558.db2.gz KHGOPHYEWXSHBE-UHFFFAOYSA-N -1 1 390.411 1.397 20 0 GDADMM Cc1cc(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)ccc1C(N)=O ZINC000737271224 598746970 /nfs/dbraw/zinc/74/69/70/598746970.db2.gz LINYZSHBEYDYAC-UHFFFAOYSA-N -1 1 395.423 1.563 20 0 GDADMM CC(=O)c1cc(F)cc(F)c1OCc1cc(=O)n2ncc(-c3nn[n-]n3)c2[nH]1 ZINC000735498218 598801463 /nfs/dbraw/zinc/80/14/63/598801463.db2.gz WOTINTSGJYOSGN-UHFFFAOYSA-N -1 1 387.306 1.675 20 0 GDADMM CC(C)(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc(F)c1 ZINC000735671170 599322887 /nfs/dbraw/zinc/32/28/87/599322887.db2.gz QJGVWFVYVPGAFP-UHFFFAOYSA-N -1 1 376.417 1.657 20 0 GDADMM CC(C)(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc(F)c1 ZINC000735671170 599322890 /nfs/dbraw/zinc/32/28/90/599322890.db2.gz QJGVWFVYVPGAFP-UHFFFAOYSA-N -1 1 376.417 1.657 20 0 GDADMM COCCN(CC(F)F)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821689057 599343318 /nfs/dbraw/zinc/34/33/18/599343318.db2.gz JGLKVIFJEODMBX-UHFFFAOYSA-N -1 1 381.792 1.422 20 0 GDADMM O=C(c1cc2ccccc2o1)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000738255556 599407083 /nfs/dbraw/zinc/40/70/83/599407083.db2.gz VHDUDYQCVYVFFT-UHFFFAOYSA-N -1 1 375.392 1.970 20 0 GDADMM O=C(c1cc2ccccc2o1)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000738255556 599407084 /nfs/dbraw/zinc/40/70/84/599407084.db2.gz VHDUDYQCVYVFFT-UHFFFAOYSA-N -1 1 375.392 1.970 20 0 GDADMM CN(C)c1ccccc1N(C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821590925 607376023 /nfs/dbraw/zinc/37/60/23/607376023.db2.gz MDGCDSLPNZCLAM-UHFFFAOYSA-N -1 1 376.417 1.897 20 0 GDADMM C[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccc(F)cc1Cl ZINC000736136667 599440731 /nfs/dbraw/zinc/44/07/31/599440731.db2.gz GLEKCWGQGBQZLY-SSDOTTSWSA-N -1 1 379.783 1.230 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@@](C)(O)c1ccco1 ZINC000822535502 599451248 /nfs/dbraw/zinc/45/12/48/599451248.db2.gz UKXNKEOVIBRYSR-GOSISDBHSA-N -1 1 382.380 1.789 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@@](C)(O)c1ccco1 ZINC000822535502 599451251 /nfs/dbraw/zinc/45/12/51/599451251.db2.gz UKXNKEOVIBRYSR-GOSISDBHSA-N -1 1 382.380 1.789 20 0 GDADMM CSCCCNC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000737183487 599454765 /nfs/dbraw/zinc/45/47/65/599454765.db2.gz XNNBDWSVDUCZMC-UHFFFAOYSA-N -1 1 392.489 1.317 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CCOC3(CCCCC3)C2)cc1-c1nn[n-]n1 ZINC000821969616 599486433 /nfs/dbraw/zinc/48/64/33/599486433.db2.gz BLMKVCMZAVCJFE-UHFFFAOYSA-N -1 1 390.469 1.865 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H]2CCC[C@@H]2Cc2ccccc2)n(C)c1=O ZINC000737595078 599527633 /nfs/dbraw/zinc/52/76/33/599527633.db2.gz FJWBSJSYMLRXHI-KGLIPLIRSA-N -1 1 381.440 1.087 20 0 GDADMM Cc1nc(CN2CCN(c3cc(-c4nnn[n-]4)nc4ccccc43)CC2)no1 ZINC000822441384 599554284 /nfs/dbraw/zinc/55/42/84/599554284.db2.gz YBICEHXWABEENY-UHFFFAOYSA-N -1 1 377.412 1.429 20 0 GDADMM Cc1nc(CN2CCN(c3cc(-c4nn[n-]n4)nc4ccccc43)CC2)no1 ZINC000822441384 599554286 /nfs/dbraw/zinc/55/42/86/599554286.db2.gz YBICEHXWABEENY-UHFFFAOYSA-N -1 1 377.412 1.429 20 0 GDADMM CO[C@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C1 ZINC000736960485 599593683 /nfs/dbraw/zinc/59/36/83/599593683.db2.gz GSNBFZCGWWBBEO-JTQLQIEISA-N -1 1 391.375 1.685 20 0 GDADMM O=C(OC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823397208 599626633 /nfs/dbraw/zinc/62/66/33/599626633.db2.gz SGUCOTRXOIYZJY-AWEZNQCLSA-N -1 1 378.392 1.467 20 0 GDADMM O=C(OC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823397208 599626634 /nfs/dbraw/zinc/62/66/34/599626634.db2.gz SGUCOTRXOIYZJY-AWEZNQCLSA-N -1 1 378.392 1.467 20 0 GDADMM Cn1ccnc1[C@@H](O)C1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000822699222 607387522 /nfs/dbraw/zinc/38/75/22/607387522.db2.gz SMOQEYYCVGQYIP-JTQLQIEISA-N -1 1 380.865 1.660 20 0 GDADMM Cn1ccnc1[C@@H](O)C1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000822699222 607387524 /nfs/dbraw/zinc/38/75/24/607387524.db2.gz SMOQEYYCVGQYIP-JTQLQIEISA-N -1 1 380.865 1.660 20 0 GDADMM CCCC[C@@H](C(=O)[O-])N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 ZINC000577226532 599705499 /nfs/dbraw/zinc/70/54/99/599705499.db2.gz LQLDOGBWXJQBKB-INIZCTEOSA-N -1 1 375.535 1.757 20 0 GDADMM CCOC(=O)C1=C(CN[C@H](C(=O)[O-])c2ccccc2)NC(=O)N[C@H]1c1ccco1 ZINC000737134647 599759882 /nfs/dbraw/zinc/75/98/82/599759882.db2.gz QXIAODAZNUDKOH-IRXDYDNUSA-N -1 1 399.403 1.866 20 0 GDADMM CN1CCN(c2cc(C(=O)N[C@@H](CC(=O)[O-])c3ccc(F)cc3)ccn2)CC1 ZINC000737528796 599762787 /nfs/dbraw/zinc/76/27/87/599762787.db2.gz PGWUPOKFKPHDCR-KRWDZBQOSA-N -1 1 386.427 1.918 20 0 GDADMM Cc1ccc(NC(=O)NC[C@H]2CCCN([C@@H](C)C(=O)NCC(=O)[O-])C2)cc1 ZINC000738623986 599771997 /nfs/dbraw/zinc/77/19/97/599771997.db2.gz APXDUWPGGNSLER-LSDHHAIUSA-N -1 1 376.457 1.418 20 0 GDADMM CCCCN1C(=O)c2ccc(C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)[O-])cc2C1=O ZINC000736995721 599778154 /nfs/dbraw/zinc/77/81/54/599778154.db2.gz QBPFSQAMYHKJTF-HNNXBMFYSA-N -1 1 384.392 1.232 20 0 GDADMM CC(C)C(=O)NC[C@H]1CCCN([C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000736347648 599783910 /nfs/dbraw/zinc/78/39/10/599783910.db2.gz VGDOJCHLWUEUME-NVXWUHKLSA-N -1 1 389.496 1.874 20 0 GDADMM O=C([O-])[C@H](Cc1ccccc1)NC(=O)CNS(=O)(=O)c1c(F)cccc1F 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ZINC000739087709 602707472 /nfs/dbraw/zinc/70/74/72/602707472.db2.gz CLQGRLMQDKLNCG-FGTMMUONSA-N -1 1 380.533 1.689 20 0 GDADMM C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C[C@@H]3CCCN(C(=O)[O-])C3)CC2)C1 ZINC000739087713 602707576 /nfs/dbraw/zinc/70/75/76/602707576.db2.gz CLQGRLMQDKLNCG-SQNIBIBYSA-N -1 1 380.533 1.689 20 0 GDADMM CN(CC1CCN(C(=O)c2ccnc(N3CCN(C)CC3)c2)CC1)C(=O)[O-] ZINC000739735621 602711899 /nfs/dbraw/zinc/71/18/99/602711899.db2.gz AKIUCBWKOGMMOI-UHFFFAOYSA-N -1 1 375.473 1.295 20 0 GDADMM Cc1ccc(C(N)=O)c(OS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826283943 607582319 /nfs/dbraw/zinc/58/23/19/607582319.db2.gz FZWFVHXONUWHPG-UHFFFAOYSA-N -1 1 377.357 1.181 20 0 GDADMM Cc1ccc(C(N)=O)c(OS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826283943 607582320 /nfs/dbraw/zinc/58/23/20/607582320.db2.gz FZWFVHXONUWHPG-UHFFFAOYSA-N -1 1 377.357 1.181 20 0 GDADMM C[C@@H]1CN(C(=O)CCn2c(=O)c3ccccc3[nH]c2=S)C[C@@H](C)N1C(=O)[O-] ZINC000739123492 602809266 /nfs/dbraw/zinc/80/92/66/602809266.db2.gz HTYQQZBDCBMCKN-VXGBXAGGSA-N -1 1 390.465 1.675 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@H]1CCCn2ccnc21 ZINC000826232981 607587913 /nfs/dbraw/zinc/58/79/13/607587913.db2.gz PANHGUPGJVIGRO-CYBMUJFWSA-N -1 1 396.455 1.407 20 0 GDADMM COc1ccc([C@H](CNC(=O)[C@@H]2COCCN2C(=O)[O-])N2CCCC2)cc1 ZINC000739897029 602824810 /nfs/dbraw/zinc/82/48/10/602824810.db2.gz PWZDMFPRMJXULF-IRXDYDNUSA-N -1 1 377.441 1.327 20 0 GDADMM O=C(NCCOc1ncccc1C(F)(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC000826439301 607588489 /nfs/dbraw/zinc/58/84/89/607588489.db2.gz OAHRKKYLJOIWDC-UHFFFAOYSA-N -1 1 379.302 1.484 20 0 GDADMM O=C(NCCOc1ncccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC000826439301 607588490 /nfs/dbraw/zinc/58/84/90/607588490.db2.gz OAHRKKYLJOIWDC-UHFFFAOYSA-N -1 1 379.302 1.484 20 0 GDADMM O=C1OCCN1c1ccc(OS(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000826483523 607591093 /nfs/dbraw/zinc/59/10/93/607591093.db2.gz QFTYNULBTFRBCK-UHFFFAOYSA-N -1 1 387.377 1.591 20 0 GDADMM O=C([O-])N(CC(=O)N1CCC(CCN2CCOCC2)CC1)C[C@@H]1CCCO1 ZINC000740492087 602872181 /nfs/dbraw/zinc/87/21/81/602872181.db2.gz PFABAXRZEIDKTK-KRWDZBQOSA-N -1 1 383.489 1.106 20 0 GDADMM C[C@@H]1CN(C(=O)NC2CCN(Cc3ccccn3)CC2)C[C@H](C)N1C(=O)[O-] ZINC000739139473 602888891 /nfs/dbraw/zinc/88/88/91/602888891.db2.gz XJMRSVSGLFISDK-GASCZTMLSA-N -1 1 375.473 1.828 20 0 GDADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000740028132 602976590 /nfs/dbraw/zinc/97/65/90/602976590.db2.gz GUEYDQWTKPBKLN-DGCLKSJQSA-N -1 1 386.412 1.043 20 0 GDADMM C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(C[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000738629532 602978013 /nfs/dbraw/zinc/97/80/13/602978013.db2.gz HTKYIMHTSKAIIP-GJZGRUSLSA-N -1 1 378.448 1.770 20 0 GDADMM CCCOc1ncccc1CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825341402 607598840 /nfs/dbraw/zinc/59/88/40/607598840.db2.gz CFSCYGUCAFQLMQ-UHFFFAOYSA-N -1 1 392.416 1.668 20 0 GDADMM O=C([O-])N1CCC(n2cc(C(=O)Nc3ccn(-c4ccncc4)n3)nn2)CC1 ZINC000740475736 603026724 /nfs/dbraw/zinc/02/67/24/603026724.db2.gz NYJRGSNZLRYPPH-UHFFFAOYSA-N -1 1 382.384 1.426 20 0 GDADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)COC[C@@H]3CCCO3)cc2)n1 ZINC000740681772 603060380 /nfs/dbraw/zinc/06/03/80/603060380.db2.gz UICVYUGSDQEDNH-ZDUSSCGKSA-N -1 1 375.385 1.373 20 0 GDADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)COC[C@@H]3CCCO3)cc2)n[nH]1 ZINC000740681772 603060386 /nfs/dbraw/zinc/06/03/86/603060386.db2.gz UICVYUGSDQEDNH-ZDUSSCGKSA-N -1 1 375.385 1.373 20 0 GDADMM O=C([O-])NC1CCC(NC(=O)NC2CCN(Cc3ccncc3)CC2)CC1 ZINC000740556127 603094347 /nfs/dbraw/zinc/09/43/47/603094347.db2.gz GQQHYYBPSAIDBJ-UHFFFAOYSA-N -1 1 375.473 1.924 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC[C@@H](n2ccnc2)C1 ZINC000826496515 607608016 /nfs/dbraw/zinc/60/80/16/607608016.db2.gz YTYRARJRFYOYET-LLVKDONJSA-N -1 1 377.405 1.228 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC[C@@H](n2ccnc2)C1 ZINC000826496515 607608018 /nfs/dbraw/zinc/60/80/18/607608018.db2.gz YTYRARJRFYOYET-LLVKDONJSA-N -1 1 377.405 1.228 20 0 GDADMM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)Nc1cccc(CN2CCN(C)CC2)c1 ZINC000739199532 603122257 /nfs/dbraw/zinc/12/22/57/603122257.db2.gz HYUWHIBDCAVCDL-YOEHRIQHSA-N -1 1 390.484 1.876 20 0 GDADMM COc1ccc(-c2n[nH]c(CNC(=O)[C@H]3[C@H](C)OC(C)(C)N3C(=O)[O-])n2)cc1 ZINC000739878953 603127604 /nfs/dbraw/zinc/12/76/04/603127604.db2.gz IPZQABJWHOFZKI-IINYFYTJSA-N -1 1 389.412 1.600 20 0 GDADMM COc1ccc(-c2nc(CNC(=O)[C@H]3[C@H](C)OC(C)(C)N3C(=O)[O-])n[nH]2)cc1 ZINC000739878953 603127607 /nfs/dbraw/zinc/12/76/07/603127607.db2.gz IPZQABJWHOFZKI-IINYFYTJSA-N -1 1 389.412 1.600 20 0 GDADMM O=S(=O)(NCCOc1ccc(F)c(F)c1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826491415 607611125 /nfs/dbraw/zinc/61/11/25/607611125.db2.gz IODMIHHXECJVPF-UHFFFAOYSA-N -1 1 399.354 1.641 20 0 GDADMM O=S(=O)(NCCOc1ccc(F)c(F)c1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826491415 607611127 /nfs/dbraw/zinc/61/11/27/607611127.db2.gz IODMIHHXECJVPF-UHFFFAOYSA-N -1 1 399.354 1.641 20 0 GDADMM O=C([O-])NC1(C(=O)NCCN2CCc3ccccc3C2)Cc2ccccc2C1 ZINC000740542144 603166852 /nfs/dbraw/zinc/16/68/52/603166852.db2.gz FONILFVOGJSPGO-UHFFFAOYSA-N -1 1 379.460 1.966 20 0 GDADMM C[C@@H]1CN(Cc2ccc(CNC(=O)[C@H]3CCN(C(=O)[O-])C3)cc2)C[C@@H](C)O1 ZINC000739188435 603275677 /nfs/dbraw/zinc/27/56/77/603275677.db2.gz YCGYRWAAIJCHQQ-RKVPGOIHSA-N -1 1 375.469 1.912 20 0 GDADMM Cc1nn(C)c(C)c1CN(C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826333457 607620400 /nfs/dbraw/zinc/62/04/00/607620400.db2.gz ILDZCQSBQOVXFY-UHFFFAOYSA-N -1 1 379.421 1.177 20 0 GDADMM CC(C)[C@H](CNC(=O)Nc1cccc(CNC(=O)[O-])c1)N1CCN(C)CC1 ZINC000738788200 603324520 /nfs/dbraw/zinc/32/45/20/603324520.db2.gz ZHMVMEUCBLYSEU-KRWDZBQOSA-N -1 1 377.489 1.848 20 0 GDADMM COc1cc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)ccc1O ZINC000826179640 607623751 /nfs/dbraw/zinc/62/37/51/607623751.db2.gz XEHJNXBNJOQZSK-UHFFFAOYSA-N -1 1 379.373 1.199 20 0 GDADMM COc1cc(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)ccc1O ZINC000826179640 607623753 /nfs/dbraw/zinc/62/37/53/607623753.db2.gz XEHJNXBNJOQZSK-UHFFFAOYSA-N -1 1 379.373 1.199 20 0 GDADMM O=S(=O)(N[C@H](CO)Cc1ccccc1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826487337 607624015 /nfs/dbraw/zinc/62/40/15/607624015.db2.gz LPCYJISCUYBAMN-LBPRGKRZSA-N -1 1 393.856 1.402 20 0 GDADMM O=S(=O)(N[C@H](CO)Cc1ccccc1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826487337 607624017 /nfs/dbraw/zinc/62/40/17/607624017.db2.gz LPCYJISCUYBAMN-LBPRGKRZSA-N -1 1 393.856 1.402 20 0 GDADMM O=S(=O)(N[C@@H]1CCCC[C@@H]1O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826488271 607624602 /nfs/dbraw/zinc/62/46/02/607624602.db2.gz MAQJBODMTOYTJU-MNOVXSKESA-N -1 1 391.375 1.467 20 0 GDADMM O=S(=O)(NC[C@H](O)c1ccc(F)cc1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826489705 607625415 /nfs/dbraw/zinc/62/54/15/607625415.db2.gz XOKJHUJZEYKYLV-LBPRGKRZSA-N -1 1 397.819 1.671 20 0 GDADMM O=S(=O)(NC[C@H](O)c1ccc(F)cc1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826489705 607625416 /nfs/dbraw/zinc/62/54/16/607625416.db2.gz XOKJHUJZEYKYLV-LBPRGKRZSA-N -1 1 397.819 1.671 20 0 GDADMM O=S(=O)(c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)N1CCC(CO)CC1 ZINC000826494970 607626161 /nfs/dbraw/zinc/62/61/61/607626161.db2.gz XLCDSRGVUHQZJB-UHFFFAOYSA-N -1 1 391.375 1.279 20 0 GDADMM C[C@@H]1CN(CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CC[C@H]1NC(=O)[O-] ZINC000739173010 603413474 /nfs/dbraw/zinc/41/34/74/603413474.db2.gz MPXVLRIYRPQFHV-XYPHTWIQSA-N -1 1 379.432 1.704 20 0 GDADMM C[C@](CO)(NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000824433223 607628857 /nfs/dbraw/zinc/62/88/57/607628857.db2.gz DNYUBCQSHCDSSV-MRXNPFEDSA-N -1 1 377.401 1.192 20 0 GDADMM C[C@](CO)(NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000824433223 607628859 /nfs/dbraw/zinc/62/88/59/607628859.db2.gz DNYUBCQSHCDSSV-MRXNPFEDSA-N -1 1 377.401 1.192 20 0 GDADMM CC[C@@](C)(O)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825051417 607629635 /nfs/dbraw/zinc/62/96/35/607629635.db2.gz OWRLWCARVBZOOY-GFCCVEGCSA-N -1 1 379.364 1.325 20 0 GDADMM CN(CC(=O)N1CCC(N(CC2CC2)C(=O)[O-])CC1)c1ncnc2[nH]cnc21 ZINC000828091347 603466373 /nfs/dbraw/zinc/46/63/73/603466373.db2.gz XLDNRWMORDAYST-UHFFFAOYSA-N -1 1 387.444 1.170 20 0 GDADMM O=C([O-])N[C@H](CC(=O)N1CCN(C2CCOCC2)CC1)Cc1ccccc1 ZINC000832100418 603476683 /nfs/dbraw/zinc/47/66/83/603476683.db2.gz YNAGNPSAQMIBTJ-KRWDZBQOSA-N -1 1 375.469 1.579 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000826495582 607634876 /nfs/dbraw/zinc/63/48/76/607634876.db2.gz UNBMNXWFLKKLPD-MNOVXSKESA-N -1 1 395.338 1.082 20 0 GDADMM CC(C)[C@H](O)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824207145 607640678 /nfs/dbraw/zinc/64/06/78/607640678.db2.gz QKRITKGPCIPDPM-SNVBAGLBSA-N -1 1 379.364 1.181 20 0 GDADMM O=S(=O)(NCCCc1ccc(O)cc1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826491079 607640877 /nfs/dbraw/zinc/64/08/77/607640877.db2.gz SPOAHQSTIIWMSQ-UHFFFAOYSA-N -1 1 377.401 1.623 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCOC[C@H]1C(F)(F)F ZINC000826494939 607640948 /nfs/dbraw/zinc/64/09/48/607640948.db2.gz WEBJDKSIEBJCSA-JTQLQIEISA-N -1 1 397.766 1.472 20 0 GDADMM CN(c1cnn(C)c1)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826010055 607643975 /nfs/dbraw/zinc/64/39/75/607643975.db2.gz BHRQVKSYTMRUHW-UHFFFAOYSA-N -1 1 387.347 1.444 20 0 GDADMM O=C([O-])N[C@H]1CCCN(C(=O)NCC2(CN3CCOCC3)CCCCC2)C1 ZINC000832358708 603672297 /nfs/dbraw/zinc/67/22/97/603672297.db2.gz LEXBKPNKHHQKTP-INIZCTEOSA-N -1 1 382.505 1.711 20 0 GDADMM C[C@@H]1CN(CCCNC(=O)NC[C@@H](NC(=O)[O-])c2ccccc2)C[C@@H](C)O1 ZINC000826056707 603686400 /nfs/dbraw/zinc/68/64/00/603686400.db2.gz FEZWEZGNYNNXCP-BFYDXBDKSA-N -1 1 378.473 1.794 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)NC1CCN(Cc2ccccn2)CC1)C(=O)[O-] ZINC000828197723 603699422 /nfs/dbraw/zinc/69/94/22/603699422.db2.gz FBKCJCCPMAWMJJ-QGZVFWFLSA-N -1 1 375.473 1.830 20 0 GDADMM CC1(C)[C@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)[C@@H]2CCCO[C@H]21 ZINC000824788617 607646492 /nfs/dbraw/zinc/64/64/92/607646492.db2.gz BRXJHFZUGNNRSZ-CUOATXAZSA-N -1 1 381.433 1.488 20 0 GDADMM CC1(C)[C@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)[C@@H]2CCCO[C@H]21 ZINC000824788617 607646494 /nfs/dbraw/zinc/64/64/94/607646494.db2.gz BRXJHFZUGNNRSZ-CUOATXAZSA-N -1 1 381.433 1.488 20 0 GDADMM C[C@H](NC(=O)c1cccc(CN2CCN(C)CC2)c1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000825465988 603727188 /nfs/dbraw/zinc/72/71/88/603727188.db2.gz POYLDYZNXNWTGS-QFBILLFUSA-N -1 1 388.512 1.942 20 0 GDADMM Cc1nc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)no1 ZINC000826324760 607652933 /nfs/dbraw/zinc/65/29/33/607652933.db2.gz DFOWIFJUDHDTFA-NSHDSACASA-N -1 1 379.377 1.223 20 0 GDADMM COc1ccnc(N2CCN(C(=O)[C@H]3[C@H](C)OC(C)(C)N3C(=O)[O-])CC2)c1 ZINC000829650576 603758104 /nfs/dbraw/zinc/75/81/04/603758104.db2.gz SLHNDSBPFKWWES-SWLSCSKDSA-N -1 1 378.429 1.242 20 0 GDADMM CCOC(=O)c1cnn(C)c1NC(=O)CN(C)C1CCC(NC(=O)[O-])CC1 ZINC000827348604 603791975 /nfs/dbraw/zinc/79/19/75/603791975.db2.gz AICMXTYVTAXWIN-UHFFFAOYSA-N -1 1 381.433 1.046 20 0 GDADMM C[C@@H]1CN(C(=O)CCN2CCN(c3ccccn3)CC2)C[C@@H](C)N1C(=O)[O-] ZINC000825983467 603795262 /nfs/dbraw/zinc/79/52/62/603795262.db2.gz JMISRSSPRUJQSV-HZPDHXFCSA-N -1 1 375.473 1.193 20 0 GDADMM CN(C)C(=O)c1cccc(NC(=O)CN(C)C2CCC(NC(=O)[O-])CC2)c1 ZINC000827988730 603834393 /nfs/dbraw/zinc/83/43/93/603834393.db2.gz LBGXAJMRPLTIRD-UHFFFAOYSA-N -1 1 376.457 1.838 20 0 GDADMM O=C([O-])N1CCc2cccc(CNCCNS(=O)(=O)Cc3ccccc3)c21 ZINC000832087453 603856505 /nfs/dbraw/zinc/85/65/05/603856505.db2.gz UTRLLUPRWUSKNF-UHFFFAOYSA-N -1 1 389.477 1.936 20 0 GDADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)CC1CN(C(=O)[O-])C1 ZINC000827418262 603868889 /nfs/dbraw/zinc/86/88/89/603868889.db2.gz LUDXFVPAUPBDOX-UHFFFAOYSA-N -1 1 376.457 1.776 20 0 GDADMM CC(C)(C)N1C[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1=O ZINC000824092948 607658617 /nfs/dbraw/zinc/65/86/17/607658617.db2.gz CEJNEGRCXFGYKV-VIFPVBQESA-N -1 1 398.876 1.198 20 0 GDADMM CC(C)(C)N1C[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1=O ZINC000824092948 607658619 /nfs/dbraw/zinc/65/86/19/607658619.db2.gz CEJNEGRCXFGYKV-VIFPVBQESA-N -1 1 398.876 1.198 20 0 GDADMM C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)Nc1cccc2c1CCN(C(=O)[O-])C2 ZINC000826046853 603907683 /nfs/dbraw/zinc/90/76/83/603907683.db2.gz ACUUNZRUSIWXNR-SJKOYZFVSA-N -1 1 386.452 1.260 20 0 GDADMM C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)Nc1cccc2c1CCN(C(=O)[O-])C2 ZINC000826046854 603907690 /nfs/dbraw/zinc/90/76/90/603907690.db2.gz ACUUNZRUSIWXNR-YVEFUNNKSA-N -1 1 386.452 1.260 20 0 GDADMM CC(C)[C@H](CNC(=O)NC[C@H](NC(=O)[O-])c1ccccc1)N1CCN(C)CC1 ZINC000824117645 603921925 /nfs/dbraw/zinc/92/19/25/603921925.db2.gz QHLRWEBUOZVPOC-ROUUACIJSA-N -1 1 391.516 1.567 20 0 GDADMM CC(C)[C@H](CNC(=O)N[C@@H]1CCCC[C@H]1CNC(=O)[O-])N1CCN(C)CC1 ZINC000824117525 603922264 /nfs/dbraw/zinc/92/22/64/603922264.db2.gz PNTBMAPLPZJQAV-BBWFWOEESA-N -1 1 383.537 1.384 20 0 GDADMM CCC(CC)(CNC(=O)[O-])NC(=O)[C@@H](C)NC(=O)c1n[nH]c2ccccc21 ZINC000826544959 603940930 /nfs/dbraw/zinc/94/09/30/603940930.db2.gz XHPOLOQWVJTQGL-LLVKDONJSA-N -1 1 375.429 1.624 20 0 GDADMM COCCn1cc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2Cl)cn1 ZINC000826163682 607662980 /nfs/dbraw/zinc/66/29/80/607662980.db2.gz GHYSCJXBGWFPTG-UHFFFAOYSA-N -1 1 383.821 1.164 20 0 GDADMM CC(C)NC(=O)c1ccccc1NC(=O)CN(C)C1CCN(C(=O)[O-])CC1 ZINC000824381097 603992761 /nfs/dbraw/zinc/99/27/61/603992761.db2.gz FACWMYLXSCYNJG-UHFFFAOYSA-N -1 1 376.457 1.838 20 0 GDADMM CNC(=O)c1cc(S(=O)(=O)Nc2cccc3c2CCN3C(=O)[O-])cn1C ZINC000828556425 604014433 /nfs/dbraw/zinc/01/44/33/604014433.db2.gz DXQIGABXSFQOOC-UHFFFAOYSA-N -1 1 378.410 1.226 20 0 GDADMM Cc1cnc(C(C)(C)NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)s1 ZINC000826317850 607666200 /nfs/dbraw/zinc/66/62/00/607666200.db2.gz OOSPOTRKOVWGFE-UHFFFAOYSA-N -1 1 382.446 1.984 20 0 GDADMM CC(C)C(=O)N[C@H]1CCCN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[O-])C1 ZINC000824043297 604038314 /nfs/dbraw/zinc/03/83/14/604038314.db2.gz INCRJCJNIRFZNX-BZSNNMDCSA-N -1 1 377.485 1.463 20 0 GDADMM COc1ccc(-c2n[nH]c(CNC(=O)N(C)C3CCN(C(=O)[O-])CC3)n2)cc1 ZINC000829243119 604041292 /nfs/dbraw/zinc/04/12/92/604041292.db2.gz JBEPMQBYUNMISZ-UHFFFAOYSA-N -1 1 388.428 1.764 20 0 GDADMM COc1ccc(-c2nc(CNC(=O)N(C)C3CCN(C(=O)[O-])CC3)n[nH]2)cc1 ZINC000829243119 604041294 /nfs/dbraw/zinc/04/12/94/604041294.db2.gz JBEPMQBYUNMISZ-UHFFFAOYSA-N -1 1 388.428 1.764 20 0 GDADMM COC(=O)[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)C1CCCCC1 ZINC000826111438 607669263 /nfs/dbraw/zinc/66/92/63/607669263.db2.gz FHSCIOATMRWOBL-AWEZNQCLSA-N -1 1 397.432 1.406 20 0 GDADMM COC(=O)[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)C1CCCCC1 ZINC000826111438 607669265 /nfs/dbraw/zinc/66/92/65/607669265.db2.gz FHSCIOATMRWOBL-AWEZNQCLSA-N -1 1 397.432 1.406 20 0 GDADMM O=C([O-])NCCCOC1CCN(CC(=O)N2CCc3ccccc3C2)CC1 ZINC000832633212 604106243 /nfs/dbraw/zinc/10/62/43/604106243.db2.gz QECPODQEAUPZHB-UHFFFAOYSA-N -1 1 375.469 1.710 20 0 GDADMM CC(C)[C@H](CNC(=O)N1CCC[C@H]([C@@H](C)NC(=O)[O-])C1)N1CCN(C)CC1 ZINC000824115520 604111184 /nfs/dbraw/zinc/11/11/84/604111184.db2.gz CNSKSSHTZYAMLH-IKGGRYGDSA-N -1 1 383.537 1.336 20 0 GDADMM COc1ccc(-c2n[nH]c(CNC(=O)N[C@H]3CCC[C@@H]3CNC(=O)[O-])n2)cc1 ZINC000829243879 604152733 /nfs/dbraw/zinc/15/27/33/604152733.db2.gz WBRWYMVORPGJLK-OCCSQVGLSA-N -1 1 388.428 1.716 20 0 GDADMM COc1ccc(-c2nc(CNC(=O)N[C@H]3CCC[C@@H]3CNC(=O)[O-])n[nH]2)cc1 ZINC000829243879 604152737 /nfs/dbraw/zinc/15/27/37/604152737.db2.gz WBRWYMVORPGJLK-OCCSQVGLSA-N -1 1 388.428 1.716 20 0 GDADMM CCc1nc([C@H]2CN(C(=O)Nc3nnc(CCCC(=O)[O-])s3)CCO2)n[nH]1 ZINC000830304476 604346488 /nfs/dbraw/zinc/34/64/88/604346488.db2.gz MNHYWJUIGVPYBI-SECBINFHSA-N -1 1 395.445 1.231 20 0 GDADMM C[C@H](NC(=O)c1c[nH]c2ccc(I)cc2c1=O)C(=O)[O-] ZINC000820129890 604367650 /nfs/dbraw/zinc/36/76/50/604367650.db2.gz RQAQLNMDIKMPDY-LURJTMIESA-N -1 1 386.145 1.336 20 0 GDADMM CN(CC(=O)[O-])C(=O)CCN1CCN(Cc2ccc(Br)cc2)CC1 ZINC000830692599 604372149 /nfs/dbraw/zinc/37/21/49/604372149.db2.gz NLFNCJHJFZDREY-UHFFFAOYSA-N -1 1 398.301 1.500 20 0 GDADMM CS[C@@H]1CN(S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)C[C@@H]1N(C)C ZINC000833738755 604465799 /nfs/dbraw/zinc/46/57/99/604465799.db2.gz RHKMNZBLEYXNKT-NWDGAFQWSA-N -1 1 380.438 1.329 20 0 GDADMM CS[C@H]1CN(S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)C[C@H]1N(C)C ZINC000833737645 604466802 /nfs/dbraw/zinc/46/68/02/604466802.db2.gz DLVOURYOXUPFQN-OLZOCXBDSA-N -1 1 378.903 1.704 20 0 GDADMM CN([C@H]1CCCc2c1cnn2C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825888644 607695111 /nfs/dbraw/zinc/69/51/11/607695111.db2.gz TVEAAFMYGLMVPX-ZDUSSCGKSA-N -1 1 391.432 1.437 20 0 GDADMM CN([C@H]1CCCc2c1cnn2C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825888644 607695113 /nfs/dbraw/zinc/69/51/13/607695113.db2.gz TVEAAFMYGLMVPX-ZDUSSCGKSA-N -1 1 391.432 1.437 20 0 GDADMM CC(C)[C@@H](C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)N1CCCS1(=O)=O ZINC000833466114 604503105 /nfs/dbraw/zinc/50/31/05/604503105.db2.gz SKXRDOSHFAPXSI-ZDUSSCGKSA-N -1 1 380.426 1.260 20 0 GDADMM CC(C)N1C(=O)N[C@@]2(CCN(Cc3ccc(O[C@@H](C)C(=O)[O-])cc3)C2)C1=O ZINC000833542354 604516270 /nfs/dbraw/zinc/51/62/70/604516270.db2.gz QTHNJKVLOAKSJR-ORAYPTAESA-N -1 1 375.425 1.443 20 0 GDADMM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)CCO1 ZINC000825309734 604554073 /nfs/dbraw/zinc/55/40/73/604554073.db2.gz LMNHODJOKQFHGQ-RCBQFDQVSA-N -1 1 382.436 1.495 20 0 GDADMM COc1ccccc1[C@H](CNC(=O)NC1CN(C(=O)[O-])C1)N1CCCCC1 ZINC000832597382 604576481 /nfs/dbraw/zinc/57/64/81/604576481.db2.gz WJPYFVHWYIQAMT-INIZCTEOSA-N -1 1 376.457 1.884 20 0 GDADMM Cc1nc([C@H]2CN(C(=O)NCc3ccc([C@@H](C)NC(=O)[O-])cc3)CCO2)n[nH]1 ZINC000830678667 604616684 /nfs/dbraw/zinc/61/66/84/604616684.db2.gz QDKICBGHQUIZHF-IAQYHMDHSA-N -1 1 388.428 1.725 20 0 GDADMM CC(=O)N(Cc1nnc(C2CC2)n1C)[C@@H]1CCN(Cc2c[nH]c(C(=O)[O-])c2)C1 ZINC000833389709 604678505 /nfs/dbraw/zinc/67/85/05/604678505.db2.gz TXSYQBFTSXUNLT-OAHLLOKOSA-N -1 1 386.456 1.342 20 0 GDADMM C[C@@H]1CN(Cc2ccc(CNC(=O)[C@@H]3CN(C(=O)[O-])CCO3)cc2)C[C@@H](C)O1 ZINC000826059773 604702144 /nfs/dbraw/zinc/70/21/44/604702144.db2.gz ZSLMCLJOFGVXGO-RKVPGOIHSA-N -1 1 391.468 1.291 20 0 GDADMM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)[C@H]2CCCCN2Cc2ccccc2)CCO1 ZINC000825295158 604702995 /nfs/dbraw/zinc/70/29/95/604702995.db2.gz SEZMULDLGQGYKK-JQHSSLGASA-N -1 1 375.469 1.925 20 0 GDADMM C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCC(O)(C(=O)[O-])CC1 ZINC000833402735 604727586 /nfs/dbraw/zinc/72/75/86/604727586.db2.gz UZKXOVWUVNWXNB-GFCCVEGCSA-N -1 1 399.285 1.708 20 0 GDADMM Cc1nnc(-c2cccc(NS(=O)(=O)c3cc(C(=O)[O-])n(C)c3)c2)n1C ZINC000378196578 604792120 /nfs/dbraw/zinc/79/21/20/604792120.db2.gz NPCCYIZRTIIGGT-UHFFFAOYSA-N -1 1 375.410 1.628 20 0 GDADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2Cc1nc(CC(F)(F)F)no1 ZINC000826295172 607715530 /nfs/dbraw/zinc/71/55/30/607715530.db2.gz UQUZEHGULDGYPJ-UHFFFAOYSA-N -1 1 392.301 1.421 20 0 GDADMM COc1ccc(NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3nc(C)ccc32)cc1 ZINC000826209638 607717778 /nfs/dbraw/zinc/71/77/78/607717778.db2.gz KCYDPMMPRLFXSX-UHFFFAOYSA-N -1 1 391.391 1.532 20 0 GDADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CC(=O)c1ccc2c(c1)OCO2 ZINC000826295125 607718050 /nfs/dbraw/zinc/71/80/50/607718050.db2.gz SGCWDVSQAFHKKQ-UHFFFAOYSA-N -1 1 390.359 1.497 20 0 GDADMM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000826127791 604882884 /nfs/dbraw/zinc/88/28/84/604882884.db2.gz XIWOWGIXQXUPGR-WCQYABFASA-N -1 1 388.428 1.774 20 0 GDADMM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000826127791 604882888 /nfs/dbraw/zinc/88/28/88/604882888.db2.gz XIWOWGIXQXUPGR-WCQYABFASA-N -1 1 388.428 1.774 20 0 GDADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)C1 ZINC000833421024 604945485 /nfs/dbraw/zinc/94/54/85/604945485.db2.gz GOESSRAFHRLLAY-GFCCVEGCSA-N -1 1 397.422 1.842 20 0 GDADMM CNC(=O)[C@@H]1CCCN1CCC(=O)Nc1sc(C(=O)[O-])c(C)c1C(=O)OC ZINC000830984476 604967716 /nfs/dbraw/zinc/96/77/16/604967716.db2.gz RWHCWIUKEWKNFB-JTQLQIEISA-N -1 1 397.453 1.080 20 0 GDADMM COC(=O)c1cc(NC(=O)CN2CCC[C@H]([C@H]3CCOC3)C2)cc(C(=O)[O-])c1 ZINC000833715402 604988717 /nfs/dbraw/zinc/98/87/17/604988717.db2.gz UUVVPDIISKBKQU-KBPBESRZSA-N -1 1 390.436 1.858 20 0 GDADMM CC(C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)n[nH]1 ZINC000833512709 605023688 /nfs/dbraw/zinc/02/36/88/605023688.db2.gz ROMFWVVRYCXORC-MRVPVSSYSA-N -1 1 378.364 1.973 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)N2C[C@H]3CCCN3C[C@H]2C)c(C(=O)[O-])s1 ZINC000833713612 605027910 /nfs/dbraw/zinc/02/79/10/605027910.db2.gz CWXGYMFFIMSDBC-NXEZZACHSA-N -1 1 388.467 1.090 20 0 GDADMM CS(=O)(=O)c1ccccc1NS(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC000833737035 605052602 /nfs/dbraw/zinc/05/26/02/605052602.db2.gz MMJHIWBIXQUQND-UHFFFAOYSA-N -1 1 399.446 1.744 20 0 GDADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1c1ncnc2sccc21 ZINC000833767724 605092815 /nfs/dbraw/zinc/09/28/15/605092815.db2.gz OMHAUHJIXOJFDE-STQMWFEESA-N -1 1 386.437 1.195 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H](CC2CCCC2)c2ccccc2)n(C)c1=O ZINC000826355522 607734498 /nfs/dbraw/zinc/73/44/98/607734498.db2.gz DFOGKOFDJFNYGQ-HNNXBMFYSA-N -1 1 395.467 1.998 20 0 GDADMM CC(C)CNC(=O)N1CCC[C@H](C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)C1 ZINC000833488548 605104467 /nfs/dbraw/zinc/10/44/67/605104467.db2.gz QNOKSYIHSCUIDC-CVEARBPZSA-N -1 1 382.505 1.071 20 0 GDADMM CC(=O)CCc1ccc(OCC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)cc1 ZINC000833388665 605106877 /nfs/dbraw/zinc/10/68/77/605106877.db2.gz UUUOJOJMSHXPAN-OAHLLOKOSA-N -1 1 376.453 1.594 20 0 GDADMM CC(=O)N(CCc1ccccc1)CC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC000833389223 605110529 /nfs/dbraw/zinc/11/05/29/605110529.db2.gz ICBPXTLOKORARS-MRXNPFEDSA-N -1 1 375.469 1.085 20 0 GDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000833625623 605115088 /nfs/dbraw/zinc/11/50/88/605115088.db2.gz WWFACBRJJDKWJI-KGLIPLIRSA-N -1 1 393.871 1.700 20 0 GDADMM CC(C)C[C@@H](NC(=O)CN[C@@H](C)c1ccc(N2CCOC2=O)cc1)C(=O)[O-] ZINC000833479348 605119108 /nfs/dbraw/zinc/11/91/08/605119108.db2.gz YZJKJBLGHHRRFN-XJKSGUPXSA-N -1 1 377.441 1.909 20 0 GDADMM CC(=O)N1CCN(CCCN2C(=O)CS/C2=C\C(=O)[O-])CC12CCCCC2 ZINC000833391568 605142586 /nfs/dbraw/zinc/14/25/86/605142586.db2.gz UCQGIFNOJFYUMG-ATVHPVEESA-N -1 1 395.525 1.745 20 0 GDADMM CCc1nnc([C@H]2CN(C(=O)NCC3(NC(=O)[O-])CCCCC3)CCO2)[nH]1 ZINC000827620384 605158815 /nfs/dbraw/zinc/15/88/15/605158815.db2.gz ITMBNVWWLNSJIJ-GFCCVEGCSA-N -1 1 380.449 1.421 20 0 GDADMM CC(=O)N[C@@H](CC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)c1c(F)cccc1F ZINC000833395890 605160077 /nfs/dbraw/zinc/16/00/77/605160077.db2.gz SPYLQMOJQFTROF-WBMJQRKESA-N -1 1 397.422 1.540 20 0 GDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H](c1ccccc1)N1CCSCC1 ZINC000833621232 605165063 /nfs/dbraw/zinc/16/50/63/605165063.db2.gz MWJMDEYMZFUZRD-VQIMIIECSA-N -1 1 391.537 1.784 20 0 GDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cccc(NC(=O)c2cccnc2)c1 ZINC000833627532 605165996 /nfs/dbraw/zinc/16/59/96/605165996.db2.gz XQTJEVPLLOHWPR-HNNXBMFYSA-N -1 1 396.447 1.955 20 0 GDADMM Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3CCN(CCC(=O)[O-])C[C@@H]3C)c12 ZINC000833756619 605167302 /nfs/dbraw/zinc/16/73/02/605167302.db2.gz MYYNRQMMJSILBN-LBPRGKRZSA-N -1 1 385.468 1.775 20 0 GDADMM COCCN1CCC[C@@H]1CNS(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC000833724992 605173997 /nfs/dbraw/zinc/17/39/97/605173997.db2.gz WOBANRGLZSEOHO-GFCCVEGCSA-N -1 1 376.862 1.427 20 0 GDADMM CCn1c(N)c(C(=O)CN[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])c(=O)[nH]c1=O ZINC000833683496 605179361 /nfs/dbraw/zinc/17/93/61/605179361.db2.gz HYQPWHWCHZRWOT-AWEZNQCLSA-N -1 1 388.424 1.175 20 0 GDADMM CNC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(C)cc2C(=O)[O-])c1 ZINC000833699987 605186552 /nfs/dbraw/zinc/18/65/52/605186552.db2.gz FVFGFJUTECJVLI-UHFFFAOYSA-N -1 1 378.406 1.862 20 0 GDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(N2CCC(O)CC2)cc1 ZINC000833624405 605206391 /nfs/dbraw/zinc/20/63/91/605206391.db2.gz IANHXXJFSBMRJO-HNNXBMFYSA-N -1 1 375.469 1.269 20 0 GDADMM C[C@H]1CN(C(=O)[C@@H]2CCCCN2C(=O)c2ccco2)CCN1CCC(=O)[O-] ZINC000833617568 605278433 /nfs/dbraw/zinc/27/84/33/605278433.db2.gz DZTOMEUFMXVSTJ-GJZGRUSLSA-N -1 1 377.441 1.282 20 0 GDADMM CC(=O)N(Cc1noc(C)n1)[C@H]1CCN(Cc2ccc(OCC(=O)[O-])cc2)C1 ZINC000833389703 605298144 /nfs/dbraw/zinc/29/81/44/605298144.db2.gz TVPGPNXLYSREEQ-INIZCTEOSA-N -1 1 388.424 1.464 20 0 GDADMM C[C@@H](Cc1noc(CNC(=O)c2c[nH]c3ccccc3c2=O)n1)N(C)C(=O)[O-] ZINC000825048810 605303295 /nfs/dbraw/zinc/30/32/95/605303295.db2.gz WNYVTQRENMIANC-JTQLQIEISA-N -1 1 385.380 1.382 20 0 GDADMM CCOc1cc(Cl)ccc1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825615664 607746755 /nfs/dbraw/zinc/74/67/55/607746755.db2.gz FYANWBRIXSUBMY-UHFFFAOYSA-N -1 1 394.844 1.792 20 0 GDADMM CCOc1cc(Cl)ccc1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825615664 607746756 /nfs/dbraw/zinc/74/67/56/607746756.db2.gz FYANWBRIXSUBMY-UHFFFAOYSA-N -1 1 394.844 1.792 20 0 GDADMM CC[C@H]1CN(C(=O)c2ccc(CN3CCN(C)CC3)cc2)CC[C@@H]1NC(=O)[O-] ZINC000833851961 605348677 /nfs/dbraw/zinc/34/86/77/605348677.db2.gz VGABPQBVCYLPGJ-HKUYNNGSSA-N -1 1 388.512 1.942 20 0 GDADMM O=C([O-])N1CC(OCC(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)C1 ZINC000834070040 605375201 /nfs/dbraw/zinc/37/52/01/605375201.db2.gz LMIDQUMPRRHMDK-CQSZACIVSA-N -1 1 391.472 1.937 20 0 GDADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N(C1CC1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000825458638 605464856 /nfs/dbraw/zinc/46/48/56/605464856.db2.gz JNFHCTOBDMYTBZ-WCQYABFASA-N -1 1 385.424 1.425 20 0 GDADMM C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833514974 605511112 /nfs/dbraw/zinc/51/11/12/605511112.db2.gz IDTNUAKYVOILTD-KGLIPLIRSA-N -1 1 386.493 1.480 20 0 GDADMM O=C([O-])N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000834024852 605559667 /nfs/dbraw/zinc/55/96/67/605559667.db2.gz AYJNTEJWBIRWIJ-BLLLJJGKSA-N -1 1 389.456 1.398 20 0 GDADMM CS[C@@H](C)CNC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000826226379 607762926 /nfs/dbraw/zinc/76/29/26/607762926.db2.gz YLRAPJHXTCJZGM-JTQLQIEISA-N -1 1 392.489 1.315 20 0 GDADMM CN(CCCNC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO)C(=O)[O-] ZINC000828293589 605566542 /nfs/dbraw/zinc/56/65/42/605566542.db2.gz PEHJSXQUXQTOPK-IRXDYDNUSA-N -1 1 378.473 1.169 20 0 GDADMM O=C([O-])NCCOc1ccc(NC(=O)C(=O)N[C@H]2CCCc3cn[nH]c32)cc1 ZINC000834244368 605576591 /nfs/dbraw/zinc/57/65/91/605576591.db2.gz IXUIMXMZSQMJIF-AWEZNQCLSA-N -1 1 387.396 1.188 20 0 GDADMM O=C([O-])N1CCC[C@H](NC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)C1 ZINC000834018686 605664066 /nfs/dbraw/zinc/66/40/66/605664066.db2.gz LGIQLQGQSAWTCB-FGTMMUONSA-N -1 1 390.484 1.311 20 0 GDADMM N=C(NOCc1nnc(-c2ccc(Cl)cc2)o1)[C@@H]1COCCN1C(=O)[O-] ZINC000833979555 605732772 /nfs/dbraw/zinc/73/27/72/605732772.db2.gz IMILGOZMPMMHFZ-NSHDSACASA-N -1 1 381.776 1.767 20 0 GDADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)NCC1CN(C(=O)[O-])C1 ZINC000833861276 605762365 /nfs/dbraw/zinc/76/23/65/605762365.db2.gz IJMAJUFPJYKCAZ-UHFFFAOYSA-N -1 1 391.472 1.568 20 0 GDADMM O=C([O-])N[C@H](CC(F)F)C(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000834127585 605812941 /nfs/dbraw/zinc/81/29/41/605812941.db2.gz HNSBJPFAQYHRCW-CQSZACIVSA-N -1 1 377.432 1.629 20 0 GDADMM CC(C)N1CCO[C@@H](CN2CCN(Cc3cc(C(=O)[O-])ccc3F)CC2)C1 ZINC000833502888 605831866 /nfs/dbraw/zinc/83/18/66/605831866.db2.gz XBPCVRZPIRXCRH-SFHVURJKSA-N -1 1 379.476 1.751 20 0 GDADMM C[C@H]1CN(C[C@H]2CN(C)CCO2)CCN1Cc1cc(C(=O)[O-])ccc1Cl ZINC000833621155 605832182 /nfs/dbraw/zinc/83/21/82/605832182.db2.gz MJVQDKWAUHEMGL-WMLDXEAASA-N -1 1 381.904 1.875 20 0 GDADMM O=C([O-])c1cc(C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)on1 ZINC000833777736 605874568 /nfs/dbraw/zinc/87/45/68/605874568.db2.gz CSGUKLMELFIABH-UHFFFAOYSA-N -1 1 377.372 1.785 20 0 GDADMM C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1C[C@H](CNC(=O)[O-])C[C@H]1C ZINC000833832214 605904865 /nfs/dbraw/zinc/90/48/65/605904865.db2.gz ROOVKSGEWKTDFI-PMPSAXMXSA-N -1 1 390.484 1.828 20 0 GDADMM COCCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000833724647 605920134 /nfs/dbraw/zinc/92/01/34/605920134.db2.gz QLQFVCJGHXJUTI-GFCCVEGCSA-N -1 1 383.832 1.204 20 0 GDADMM Cc1nc(C(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)c(=O)[nH]c1C ZINC000833912124 605934603 /nfs/dbraw/zinc/93/46/03/605934603.db2.gz CTEGMLIJFKOQAY-UHFFFAOYSA-N -1 1 383.368 1.192 20 0 GDADMM Cc1nc(C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)c(=O)[nH]c1C ZINC000833912124 605934607 /nfs/dbraw/zinc/93/46/07/605934607.db2.gz CTEGMLIJFKOQAY-UHFFFAOYSA-N -1 1 383.368 1.192 20 0 GDADMM O=C([O-])N[C@H](CNC(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)C1CC1 ZINC000834143706 605938607 /nfs/dbraw/zinc/93/86/07/605938607.db2.gz LWEWQXMJNFYAHA-LLVKDONJSA-N -1 1 381.339 1.601 20 0 GDADMM O=C([O-])Nc1cnc(C(=O)NCCN2CCN(Cc3ccccc3)CC2)cn1 ZINC000834279452 606015763 /nfs/dbraw/zinc/01/57/63/606015763.db2.gz KDBYJAXFOOMLEJ-UHFFFAOYSA-N -1 1 384.440 1.114 20 0 GDADMM C[C@@H]1[C@H](C)N(CCC(=O)Nc2ccc(N3CCOCC3)cc2)CCN1C(=O)[O-] ZINC000833829593 606041607 /nfs/dbraw/zinc/04/16/07/606041607.db2.gz SSSQBXAXPTVOAL-JKSUJKDBSA-N -1 1 390.484 1.924 20 0 GDADMM C[C@H]1[C@H](C)N(C(=O)[O-])CCN1CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000833829588 606041813 /nfs/dbraw/zinc/04/18/13/606041813.db2.gz SSSQBXAXPTVOAL-HOTGVXAUSA-N -1 1 390.484 1.924 20 0 GDADMM O=C([O-])N1CCC[C@H](CN2CCN(CC(=O)Nc3ccccc3F)CC2)C1 ZINC000834005133 606095419 /nfs/dbraw/zinc/09/54/19/606095419.db2.gz KIWGZLOITOBCRL-OAHLLOKOSA-N -1 1 378.448 1.772 20 0 GDADMM CC(C)C[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1cccs1 ZINC000820056589 606102363 /nfs/dbraw/zinc/10/23/63/606102363.db2.gz QWJDKQACIQIBBY-JTQLQIEISA-N -1 1 375.458 1.525 20 0 GDADMM O=Cc1cc(F)c(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c(F)c1 ZINC000823557782 606123599 /nfs/dbraw/zinc/12/35/99/606123599.db2.gz QERKDJDNYDZGPL-UHFFFAOYSA-N -1 1 384.295 1.864 20 0 GDADMM CN(C)S(=O)(=O)c1ccc(COC(=O)c2ccc(-c3nnn[n-]3)s2)o1 ZINC000821588349 606139652 /nfs/dbraw/zinc/13/96/52/606139652.db2.gz NXNJVLMLVFFWPT-UHFFFAOYSA-N -1 1 383.411 1.129 20 0 GDADMM CN(C)S(=O)(=O)c1ccc(COC(=O)c2ccc(-c3nn[n-]n3)s2)o1 ZINC000821588349 606139653 /nfs/dbraw/zinc/13/96/53/606139653.db2.gz NXNJVLMLVFFWPT-UHFFFAOYSA-N -1 1 383.411 1.129 20 0 GDADMM CCO[C@H](CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C1CCCC1 ZINC000821351241 606146556 /nfs/dbraw/zinc/14/65/56/606146556.db2.gz NQBDKVSAQFGXCM-OAHLLOKOSA-N -1 1 380.474 1.525 20 0 GDADMM CCO[C@H](CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C1CCCC1 ZINC000821351241 606146558 /nfs/dbraw/zinc/14/65/58/606146558.db2.gz NQBDKVSAQFGXCM-OAHLLOKOSA-N -1 1 380.474 1.525 20 0 GDADMM CN(Cc1ccccc1N1CCOCC1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821615798 606156585 /nfs/dbraw/zinc/15/65/85/606156585.db2.gz NTVKZSPPKVRAMD-UHFFFAOYSA-N -1 1 397.443 1.101 20 0 GDADMM CN(Cc1ccccc1N1CCOCC1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821615798 606156586 /nfs/dbraw/zinc/15/65/86/606156586.db2.gz NTVKZSPPKVRAMD-UHFFFAOYSA-N -1 1 397.443 1.101 20 0 GDADMM C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820253962 606159326 /nfs/dbraw/zinc/15/93/26/606159326.db2.gz LBKFVQXLPGBNDB-SNVBAGLBSA-N -1 1 384.400 1.472 20 0 GDADMM C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820253962 606159327 /nfs/dbraw/zinc/15/93/27/606159327.db2.gz LBKFVQXLPGBNDB-SNVBAGLBSA-N -1 1 384.400 1.472 20 0 GDADMM CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC000821065655 606160929 /nfs/dbraw/zinc/16/09/29/606160929.db2.gz LKQCKERTYLTTCJ-NEPJUHHUSA-N -1 1 389.464 1.149 20 0 GDADMM CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC000821065655 606160930 /nfs/dbraw/zinc/16/09/30/606160930.db2.gz LKQCKERTYLTTCJ-NEPJUHHUSA-N -1 1 389.464 1.149 20 0 GDADMM C[C@H](CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)Oc1ccccc1Cl ZINC000820270218 606162274 /nfs/dbraw/zinc/16/22/74/606162274.db2.gz XUPRIIHGXJGSMH-SECBINFHSA-N -1 1 376.808 1.843 20 0 GDADMM C[C@H](CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)Oc1ccccc1Cl ZINC000820270218 606162276 /nfs/dbraw/zinc/16/22/76/606162276.db2.gz XUPRIIHGXJGSMH-SECBINFHSA-N -1 1 376.808 1.843 20 0 GDADMM CC(=O)N(Cc1ccc(NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1)C1CC1 ZINC000819789180 606170394 /nfs/dbraw/zinc/17/03/94/606170394.db2.gz KEGUSXYZEGIGJO-UHFFFAOYSA-N -1 1 395.427 1.755 20 0 GDADMM CC(=O)N(Cc1ccc(NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1)C1CC1 ZINC000819789180 606170396 /nfs/dbraw/zinc/17/03/96/606170396.db2.gz KEGUSXYZEGIGJO-UHFFFAOYSA-N -1 1 395.427 1.755 20 0 GDADMM COc1ccc(N2C[C@@H](C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])CC2=O)cc1 ZINC000821831960 606195141 /nfs/dbraw/zinc/19/51/41/606195141.db2.gz UWZJAAKJXAJWCN-LBPRGKRZSA-N -1 1 394.391 1.573 20 0 GDADMM C[C@H](c1cccc(F)c1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000820563702 606269170 /nfs/dbraw/zinc/26/91/70/606269170.db2.gz TXILDOHHDPEDMN-CYBMUJFWSA-N -1 1 381.415 1.920 20 0 GDADMM C[C@H](c1cccc(F)c1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000820563702 606269172 /nfs/dbraw/zinc/26/91/72/606269172.db2.gz TXILDOHHDPEDMN-CYBMUJFWSA-N -1 1 381.415 1.920 20 0 GDADMM O=C([C@@H]1C[C@@H]1C1CC1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000822917091 606277608 /nfs/dbraw/zinc/27/76/08/606277608.db2.gz NFHHQFXEGUMDJZ-CHWSQXEVSA-N -1 1 395.423 1.809 20 0 GDADMM Cn1cc(Br)cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1=O ZINC000822665319 606278734 /nfs/dbraw/zinc/27/87/34/606278734.db2.gz NUQDZPXMYSMQPG-UHFFFAOYSA-N -1 1 381.215 1.642 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H](C)CC[S@](C)=O ZINC000822535651 606287066 /nfs/dbraw/zinc/28/70/66/606287066.db2.gz ZJDCNHWLUKKPDT-SKVICXGVSA-N -1 1 376.442 1.446 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H](C)CC[S@](C)=O ZINC000822535651 606287067 /nfs/dbraw/zinc/28/70/67/606287067.db2.gz ZJDCNHWLUKKPDT-SKVICXGVSA-N -1 1 376.442 1.446 20 0 GDADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)[C@H](O)c1c(F)cccc1Cl ZINC000820391379 606289933 /nfs/dbraw/zinc/28/99/33/606289933.db2.gz OMPUZZQIIQQLIL-CLAHSXSESA-N -1 1 376.779 1.906 20 0 GDADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)[C@H](O)c1c(F)cccc1Cl ZINC000820391379 606289934 /nfs/dbraw/zinc/28/99/34/606289934.db2.gz OMPUZZQIIQQLIL-CLAHSXSESA-N -1 1 376.779 1.906 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc(=O)n(Cc2ccccc2)n1 ZINC000823294874 606296959 /nfs/dbraw/zinc/29/69/59/606296959.db2.gz VSKNVTBMADOEBW-UHFFFAOYSA-N -1 1 389.375 1.430 20 0 GDADMM Cc1nc2n(n1)CCN(C(=O)c1c(C)oc(-n3cccc3)c1-c1nnn[n-]1)C2 ZINC000822463690 606299334 /nfs/dbraw/zinc/29/93/34/606299334.db2.gz VANIXFXPIVQDHM-UHFFFAOYSA-N -1 1 379.384 1.115 20 0 GDADMM Cc1nc2n(n1)CCN(C(=O)c1c(C)oc(-n3cccc3)c1-c1nn[n-]n1)C2 ZINC000822463690 606299336 /nfs/dbraw/zinc/29/93/36/606299336.db2.gz VANIXFXPIVQDHM-UHFFFAOYSA-N -1 1 379.384 1.115 20 0 GDADMM CCc1cc(N2CCC(NC(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)ncn1 ZINC000821471203 606310883 /nfs/dbraw/zinc/31/08/83/606310883.db2.gz WYKXAAKSWYHGBC-UHFFFAOYSA-N -1 1 379.428 1.013 20 0 GDADMM CCc1cc(N2CCC(NC(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)ncn1 ZINC000821471203 606310884 /nfs/dbraw/zinc/31/08/84/606310884.db2.gz WYKXAAKSWYHGBC-UHFFFAOYSA-N -1 1 379.428 1.013 20 0 GDADMM O=C(Cc1cccc(F)c1)N1CCCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000823111835 606401701 /nfs/dbraw/zinc/40/17/01/606401701.db2.gz PAPYSPXTQGXUPA-UHFFFAOYSA-N -1 1 381.415 1.682 20 0 GDADMM O=C(Cc1cccc(F)c1)N1CCCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000823111835 606401702 /nfs/dbraw/zinc/40/17/02/606401702.db2.gz PAPYSPXTQGXUPA-UHFFFAOYSA-N -1 1 381.415 1.682 20 0 GDADMM CN1C(=O)N[C@@]2(CCC[C@@H]2CNc2cc(-c3nnn[n-]3)nc3ccccc32)C1=O ZINC000821620564 606422602 /nfs/dbraw/zinc/42/26/02/606422602.db2.gz OXEMDKCEAFJSDG-NSPYISDASA-N -1 1 392.423 1.547 20 0 GDADMM CN1C(=O)N[C@@]2(CCC[C@@H]2CNc2cc(-c3nn[n-]n3)nc3ccccc32)C1=O ZINC000821620564 606422604 /nfs/dbraw/zinc/42/26/04/606422604.db2.gz OXEMDKCEAFJSDG-NSPYISDASA-N -1 1 392.423 1.547 20 0 GDADMM O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823367205 606499757 /nfs/dbraw/zinc/49/97/57/606499757.db2.gz GFWQLTMWLLZJKM-UHFFFAOYSA-N -1 1 390.450 1.621 20 0 GDADMM O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823367205 606499759 /nfs/dbraw/zinc/49/97/59/606499759.db2.gz GFWQLTMWLLZJKM-UHFFFAOYSA-N -1 1 390.450 1.621 20 0 GDADMM CS(=O)(=O)Nc1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1F ZINC000821936661 606521617 /nfs/dbraw/zinc/52/16/17/606521617.db2.gz CXPMTPBXRNQBRF-UHFFFAOYSA-N -1 1 382.402 1.691 20 0 GDADMM CS(=O)(=O)Nc1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1F ZINC000821936661 606521619 /nfs/dbraw/zinc/52/16/19/606521619.db2.gz CXPMTPBXRNQBRF-UHFFFAOYSA-N -1 1 382.402 1.691 20 0 GDADMM O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000823005272 606530834 /nfs/dbraw/zinc/53/08/34/606530834.db2.gz JUHNGGPILFXGJM-UHFFFAOYSA-N -1 1 388.391 1.625 20 0 GDADMM O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000823005272 606530837 /nfs/dbraw/zinc/53/08/37/606530837.db2.gz JUHNGGPILFXGJM-UHFFFAOYSA-N -1 1 388.391 1.625 20 0 GDADMM Cc1occc1-c1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)n(CCO)n1 ZINC000822552611 606547922 /nfs/dbraw/zinc/54/79/22/606547922.db2.gz DAOZAUVBXUIUKK-UHFFFAOYSA-N -1 1 385.409 1.938 20 0 GDADMM Cc1occc1-c1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)n(CCO)n1 ZINC000822552611 606547924 /nfs/dbraw/zinc/54/79/24/606547924.db2.gz DAOZAUVBXUIUKK-UHFFFAOYSA-N -1 1 385.409 1.938 20 0 GDADMM CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC000819939428 606570259 /nfs/dbraw/zinc/57/02/59/606570259.db2.gz BNWKSDZWMYIAGM-SNVBAGLBSA-N -1 1 378.458 1.961 20 0 GDADMM CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC000819939428 606570261 /nfs/dbraw/zinc/57/02/61/606570261.db2.gz BNWKSDZWMYIAGM-SNVBAGLBSA-N -1 1 378.458 1.961 20 0 GDADMM CCc1nsc(N2CCN(C(=O)c3ccc(-c4nnn[n-]4)s3)CC2)n1 ZINC000821558910 606577750 /nfs/dbraw/zinc/57/77/50/606577750.db2.gz KIOYZRQCWRZASX-UHFFFAOYSA-N -1 1 376.471 1.305 20 0 GDADMM CCc1nsc(N2CCN(C(=O)c3ccc(-c4nn[n-]n4)s3)CC2)n1 ZINC000821558910 606577752 /nfs/dbraw/zinc/57/77/52/606577752.db2.gz KIOYZRQCWRZASX-UHFFFAOYSA-N -1 1 376.471 1.305 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2cccnc2OC2CCCC2)n1 ZINC000822620182 606596306 /nfs/dbraw/zinc/59/63/06/606596306.db2.gz KOQYXGIISMCWFC-UHFFFAOYSA-N -1 1 383.416 1.638 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2cccnc2OC2CCCC2)n1 ZINC000822620182 606596307 /nfs/dbraw/zinc/59/63/07/606596307.db2.gz KOQYXGIISMCWFC-UHFFFAOYSA-N -1 1 383.416 1.638 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC([C@@H](O)c3ccccc3)CC2)n1 ZINC000822604450 606597171 /nfs/dbraw/zinc/59/71/71/606597171.db2.gz FEGHPPLUYKTCPW-HNNXBMFYSA-N -1 1 382.428 1.578 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC([C@@H](O)c3ccccc3)CC2)n1 ZINC000822604450 606597173 /nfs/dbraw/zinc/59/71/73/606597173.db2.gz FEGHPPLUYKTCPW-HNNXBMFYSA-N -1 1 382.428 1.578 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000823290047 606642635 /nfs/dbraw/zinc/64/26/35/606642635.db2.gz SLRGOQFPWOGTHU-ZDUSSCGKSA-N -1 1 399.455 1.875 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CCCC[C@H]2c2cn[nH]c2)cc1-c1nn[n-]n1 ZINC000821969651 606642703 /nfs/dbraw/zinc/64/27/03/606642703.db2.gz CMCZDQAHYRPPMC-LBPRGKRZSA-N -1 1 386.441 1.780 20 0 GDADMM CCNc1scnc1C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000821313671 606643474 /nfs/dbraw/zinc/64/34/74/606643474.db2.gz HAQLQROMEWTNEK-UHFFFAOYSA-N -1 1 391.413 1.760 20 0 GDADMM Cc1ccccc1[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)C(C)(C)C ZINC000822352344 606643743 /nfs/dbraw/zinc/64/37/43/606643743.db2.gz XMPPXACQZVDFNF-CQSZACIVSA-N -1 1 383.456 1.772 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(=O)n(-c2ccccc2)n1 ZINC000823436130 606647603 /nfs/dbraw/zinc/64/76/03/606647603.db2.gz IFWDODOPGGYXRU-UHFFFAOYSA-N -1 1 375.348 1.165 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(=O)n(-c2ccccc2)n1 ZINC000823436130 606647604 /nfs/dbraw/zinc/64/76/04/606647604.db2.gz IFWDODOPGGYXRU-UHFFFAOYSA-N -1 1 375.348 1.165 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H]1CCCN1C(=O)c1ccccc1 ZINC000823436300 606648506 /nfs/dbraw/zinc/64/85/06/606648506.db2.gz OZNFMROWMPXWJI-MRXNPFEDSA-N -1 1 378.392 1.610 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1CCCN1C(=O)c1ccccc1 ZINC000823436300 606648507 /nfs/dbraw/zinc/64/85/07/606648507.db2.gz OZNFMROWMPXWJI-MRXNPFEDSA-N -1 1 378.392 1.610 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000823435863 606650050 /nfs/dbraw/zinc/65/00/50/606650050.db2.gz BSCGREPGIHGTJN-LBPRGKRZSA-N -1 1 382.355 1.497 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000823435863 606650051 /nfs/dbraw/zinc/65/00/51/606650051.db2.gz BSCGREPGIHGTJN-LBPRGKRZSA-N -1 1 382.355 1.497 20 0 GDADMM O=C(COc1ccc2ccc(=O)oc2c1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823040153 606651409 /nfs/dbraw/zinc/65/14/09/606651409.db2.gz DOMZQQWKYCFZTC-UHFFFAOYSA-N -1 1 379.332 1.490 20 0 GDADMM O=C(COc1ccc2ccc(=O)oc2c1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823040153 606651410 /nfs/dbraw/zinc/65/14/10/606651410.db2.gz DOMZQQWKYCFZTC-UHFFFAOYSA-N -1 1 379.332 1.490 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)C1CCN(C(=O)c2cccnc2)CC1 ZINC000823436213 606651526 /nfs/dbraw/zinc/65/15/26/606651526.db2.gz MEHFPFRDBLHLPP-UHFFFAOYSA-N -1 1 393.407 1.252 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)C1CCN(C(=O)c2cccnc2)CC1 ZINC000823436213 606651527 /nfs/dbraw/zinc/65/15/27/606651527.db2.gz MEHFPFRDBLHLPP-UHFFFAOYSA-N -1 1 393.407 1.252 20 0 GDADMM CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000819933454 606652475 /nfs/dbraw/zinc/65/24/75/606652475.db2.gz RZYGBVIIHRJZJF-LBPRGKRZSA-N -1 1 392.441 1.615 20 0 GDADMM CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000819933454 606652476 /nfs/dbraw/zinc/65/24/76/606652476.db2.gz RZYGBVIIHRJZJF-LBPRGKRZSA-N -1 1 392.441 1.615 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000823436202 606652484 /nfs/dbraw/zinc/65/24/84/606652484.db2.gz LWRSXWQVHIPRCR-LBPRGKRZSA-N -1 1 382.355 1.497 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000823436202 606652485 /nfs/dbraw/zinc/65/24/85/606652485.db2.gz LWRSXWQVHIPRCR-LBPRGKRZSA-N -1 1 382.355 1.497 20 0 GDADMM O=C(CCN1C(=O)CCc2ccccc21)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822964333 606652968 /nfs/dbraw/zinc/65/29/68/606652968.db2.gz GUVSGTHOKAVCDR-UHFFFAOYSA-N -1 1 378.392 1.674 20 0 GDADMM O=C(CCN1C(=O)CCc2ccccc21)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822964333 606652969 /nfs/dbraw/zinc/65/29/69/606652969.db2.gz GUVSGTHOKAVCDR-UHFFFAOYSA-N -1 1 378.392 1.674 20 0 GDADMM O=Cc1cc(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)cs1 ZINC000823551022 606660083 /nfs/dbraw/zinc/66/00/83/606660083.db2.gz BXDYEODIFQBUBH-UHFFFAOYSA-N -1 1 399.436 1.569 20 0 GDADMM COC[C@H](C)CC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000821681314 606669542 /nfs/dbraw/zinc/66/95/42/606669542.db2.gz HKJFOOSQQGKCHX-LLVKDONJSA-N -1 1 375.433 1.053 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1cncnc1N(C)C ZINC000822009640 606694935 /nfs/dbraw/zinc/69/49/35/606694935.db2.gz ALSFYGOJKPMDFT-UHFFFAOYSA-N -1 1 383.416 1.011 20 0 GDADMM C[C@]1(C(=O)OCC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)CCCO1 ZINC000820577433 606752874 /nfs/dbraw/zinc/75/28/74/606752874.db2.gz PXQOAWHUDNGJAT-GOSISDBHSA-N -1 1 397.395 1.103 20 0 GDADMM C[C@]1(C(=O)OCC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)CCCO1 ZINC000820577433 606752875 /nfs/dbraw/zinc/75/28/75/606752875.db2.gz PXQOAWHUDNGJAT-GOSISDBHSA-N -1 1 397.395 1.103 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000822005846 606754345 /nfs/dbraw/zinc/75/43/45/606754345.db2.gz ULPPOXQRNHQMMN-RBSFLKMASA-N -1 1 386.456 1.591 20 0 GDADMM Cc1c(NS(=O)(=O)c2ccc(F)cc2-c2nn[nH]n2)cccc1C(=O)[O-] ZINC000822122482 606763554 /nfs/dbraw/zinc/76/35/54/606763554.db2.gz MXDPKMUYCPWXTN-UHFFFAOYSA-N -1 1 377.357 1.813 20 0 GDADMM Cc1ccc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)s1 ZINC000822248910 606768669 /nfs/dbraw/zinc/76/86/69/606768669.db2.gz TWQDWWMWWVJYSM-JTQLQIEISA-N -1 1 385.457 1.769 20 0 GDADMM Cc1ccc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)s1 ZINC000822248910 606768670 /nfs/dbraw/zinc/76/86/70/606768670.db2.gz TWQDWWMWWVJYSM-JTQLQIEISA-N -1 1 385.457 1.769 20 0 GDADMM CC[C@H]1CC[C@H](C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)O1 ZINC000820971979 606785341 /nfs/dbraw/zinc/78/53/41/606785341.db2.gz IZJIAHUDRPTSLY-QWHCGFSZSA-N -1 1 387.444 1.338 20 0 GDADMM C[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820706381 606786494 /nfs/dbraw/zinc/78/64/94/606786494.db2.gz ZJZSPIABOHMREM-MCIONIFRSA-N -1 1 385.476 1.456 20 0 GDADMM C[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820706381 606786496 /nfs/dbraw/zinc/78/64/96/606786496.db2.gz ZJZSPIABOHMREM-MCIONIFRSA-N -1 1 385.476 1.456 20 0 GDADMM O=S(=O)([N-]c1ccc2n[nH]nc2c1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823588863 606789542 /nfs/dbraw/zinc/78/95/42/606789542.db2.gz CTMSXVBYAQTOHN-UHFFFAOYSA-N -1 1 378.324 1.217 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC[C@@H]1CCCS1 ZINC000822459510 606810234 /nfs/dbraw/zinc/81/02/34/606810234.db2.gz QLSMKWNDQZPUTN-LBPRGKRZSA-N -1 1 386.485 1.471 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC[C@@H]1CCCS1 ZINC000822459510 606810235 /nfs/dbraw/zinc/81/02/35/606810235.db2.gz QLSMKWNDQZPUTN-LBPRGKRZSA-N -1 1 386.485 1.471 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C=Cc1ccsc1 ZINC000820776459 606820002 /nfs/dbraw/zinc/82/00/02/606820002.db2.gz MDMAFOOWMZSWIL-DLGQBQFBSA-N -1 1 382.453 1.469 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C=Cc1ccsc1 ZINC000820776459 606820003 /nfs/dbraw/zinc/82/00/03/606820003.db2.gz MDMAFOOWMZSWIL-DLGQBQFBSA-N -1 1 382.453 1.469 20 0 GDADMM COc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c(C)c1 ZINC000821769734 606820489 /nfs/dbraw/zinc/82/04/89/606820489.db2.gz KIVAVZOIBDGYLJ-CYBMUJFWSA-N -1 1 394.439 1.325 20 0 GDADMM COc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c(C)c1 ZINC000821769734 606820491 /nfs/dbraw/zinc/82/04/91/606820491.db2.gz KIVAVZOIBDGYLJ-CYBMUJFWSA-N -1 1 394.439 1.325 20 0 GDADMM C[C@H](CC1CCCC1)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820235005 606821183 /nfs/dbraw/zinc/82/11/83/606821183.db2.gz QADIQDZXIFAHQW-ZIAGYGMSSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](CC1CCCC1)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820235005 606821184 /nfs/dbraw/zinc/82/11/84/606821184.db2.gz QADIQDZXIFAHQW-ZIAGYGMSSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1cccc(F)c1 ZINC000819854290 606824184 /nfs/dbraw/zinc/82/41/84/606824184.db2.gz CAXFUKJSEKZHIL-CHWSQXEVSA-N -1 1 396.430 1.637 20 0 GDADMM C[C@@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1cccc(F)c1 ZINC000819854290 606824185 /nfs/dbraw/zinc/82/41/85/606824185.db2.gz CAXFUKJSEKZHIL-CHWSQXEVSA-N -1 1 396.430 1.637 20 0 GDADMM Cc1cccc(OCC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1 ZINC000822329129 606824197 /nfs/dbraw/zinc/82/41/97/606824197.db2.gz YWOQEVLLFSCXHA-AWEZNQCLSA-N -1 1 394.439 1.081 20 0 GDADMM Cc1cccc(OCC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1 ZINC000822329129 606824199 /nfs/dbraw/zinc/82/41/99/606824199.db2.gz YWOQEVLLFSCXHA-AWEZNQCLSA-N -1 1 394.439 1.081 20 0 GDADMM Cc1ccc(CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cc1C ZINC000822232929 606825311 /nfs/dbraw/zinc/82/53/11/606825311.db2.gz FBIQRJIURYUAJQ-OAHLLOKOSA-N -1 1 392.467 1.553 20 0 GDADMM Cc1ccc(CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cc1C ZINC000822232929 606825313 /nfs/dbraw/zinc/82/53/13/606825313.db2.gz FBIQRJIURYUAJQ-OAHLLOKOSA-N -1 1 392.467 1.553 20 0 GDADMM CCCCC[C@@H](O)CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821050804 606830387 /nfs/dbraw/zinc/83/03/87/606830387.db2.gz UNQJGCJMPXFEMJ-ZIAGYGMSSA-N -1 1 388.476 1.025 20 0 GDADMM CCCCC[C@@H](O)CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821050804 606830389 /nfs/dbraw/zinc/83/03/89/606830389.db2.gz UNQJGCJMPXFEMJ-ZIAGYGMSSA-N -1 1 388.476 1.025 20 0 GDADMM C[C@@H]1CCC[C@@H](CNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)C1 ZINC000820696769 606833011 /nfs/dbraw/zinc/83/30/11/606833011.db2.gz CDYFGQVCWXWYGK-QLFBSQMISA-N -1 1 399.503 1.703 20 0 GDADMM C[C@@H]1CCC[C@@H](CNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)C1 ZINC000820696769 606833012 /nfs/dbraw/zinc/83/30/12/606833012.db2.gz CDYFGQVCWXWYGK-QLFBSQMISA-N -1 1 399.503 1.703 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C(C)(C)c1ccccc1 ZINC000820774319 606855189 /nfs/dbraw/zinc/85/51/89/606855189.db2.gz ANBJPJDOGUHTRP-AWEZNQCLSA-N -1 1 392.467 1.672 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C(C)(C)c1ccccc1 ZINC000820774319 606855192 /nfs/dbraw/zinc/85/51/92/606855192.db2.gz ANBJPJDOGUHTRP-AWEZNQCLSA-N -1 1 392.467 1.672 20 0 GDADMM Cc1ccc(O)c(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1 ZINC000822259494 606855649 /nfs/dbraw/zinc/85/56/49/606855649.db2.gz ZFZZVTSIQDVQNS-GFCCVEGCSA-N -1 1 380.412 1.022 20 0 GDADMM Cc1ccc(O)c(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1 ZINC000822259494 606855651 /nfs/dbraw/zinc/85/56/51/606855651.db2.gz ZFZZVTSIQDVQNS-GFCCVEGCSA-N -1 1 380.412 1.022 20 0 GDADMM Cn1ccc(C(=O)N2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)c1 ZINC000822684561 606865551 /nfs/dbraw/zinc/86/55/51/606865551.db2.gz BFZKPWHVUPDDQF-UHFFFAOYSA-N -1 1 394.395 1.416 20 0 GDADMM CCOC(=O)C1(N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCCCC1 ZINC000821320482 606874461 /nfs/dbraw/zinc/87/44/61/606874461.db2.gz NRRINCXPROPRCV-UHFFFAOYSA-N -1 1 394.457 1.148 20 0 GDADMM CCOC(=O)C1(N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCCCC1 ZINC000821320482 606874463 /nfs/dbraw/zinc/87/44/63/606874463.db2.gz NRRINCXPROPRCV-UHFFFAOYSA-N -1 1 394.457 1.148 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCN(c2cccs2)CC1 ZINC000823601171 606896788 /nfs/dbraw/zinc/89/67/88/606896788.db2.gz UWAWULLMLUNOFZ-UHFFFAOYSA-N -1 1 394.457 1.578 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000823482861 606937541 /nfs/dbraw/zinc/93/75/41/606937541.db2.gz AYVRGEDQFHRZPI-UONOGXRCSA-N -1 1 385.449 1.893 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000823482861 606937543 /nfs/dbraw/zinc/93/75/43/606937543.db2.gz AYVRGEDQFHRZPI-UONOGXRCSA-N -1 1 385.449 1.893 20 0 GDADMM Cc1nn(Cc2cn(-c3ccc(Cl)cc3)nn2)c(=O)c(-c2nn[n-]n2)c1C ZINC000822505252 607007329 /nfs/dbraw/zinc/00/73/29/607007329.db2.gz FGMYUGQIRMRFJH-UHFFFAOYSA-N -1 1 383.803 1.323 20 0 GDADMM O[C@@H](C1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1)C(F)(F)F ZINC000823672611 607034550 /nfs/dbraw/zinc/03/45/50/607034550.db2.gz FRKPSSPRBKCUJZ-AWEZNQCLSA-N -1 1 379.346 1.950 20 0 GDADMM O[C@@H](C1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1)C(F)(F)F ZINC000823672611 607034552 /nfs/dbraw/zinc/03/45/52/607034552.db2.gz FRKPSSPRBKCUJZ-AWEZNQCLSA-N -1 1 379.346 1.950 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCO[C@@H](C)[C@@H]1C ZINC000822459877 607067642 /nfs/dbraw/zinc/06/76/42/607067642.db2.gz ZVZCQKDGIODUQQ-AAEUAGOBSA-N -1 1 384.444 1.095 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCO[C@@H](C)[C@@H]1C ZINC000822459877 607067644 /nfs/dbraw/zinc/06/76/44/607067644.db2.gz ZVZCQKDGIODUQQ-AAEUAGOBSA-N -1 1 384.444 1.095 20 0 GDADMM O=C(CCCNC(=O)OCc1ccccc1)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822959068 607110227 /nfs/dbraw/zinc/11/02/27/607110227.db2.gz PYGFRLNMUALJPC-UHFFFAOYSA-N -1 1 387.425 1.968 20 0 GDADMM O=C(CCCNC(=O)OCc1ccccc1)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822959068 607110229 /nfs/dbraw/zinc/11/02/29/607110229.db2.gz PYGFRLNMUALJPC-UHFFFAOYSA-N -1 1 387.425 1.968 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N(C)[C@@H](C)C(=O)OC(C)C ZINC000822535150 607138467 /nfs/dbraw/zinc/13/84/67/607138467.db2.gz ICMQXMJABYTNPZ-NSHDSACASA-N -1 1 386.412 1.971 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N(C)[C@@H](C)C(=O)OC(C)C ZINC000822535150 607138468 /nfs/dbraw/zinc/13/84/68/607138468.db2.gz ICMQXMJABYTNPZ-NSHDSACASA-N -1 1 386.412 1.971 20 0 GDADMM CCc1cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)oc1CC ZINC000821471002 607159659 /nfs/dbraw/zinc/15/96/59/607159659.db2.gz ULSGRRLGTZWJEA-LBPRGKRZSA-N -1 1 396.455 1.725 20 0 GDADMM CCc1cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)oc1CC ZINC000821471002 607159661 /nfs/dbraw/zinc/15/96/61/607159661.db2.gz ULSGRRLGTZWJEA-LBPRGKRZSA-N -1 1 396.455 1.725 20 0 GDADMM CSC[C@H]1CCCN1C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821960650 607166460 /nfs/dbraw/zinc/16/64/60/607166460.db2.gz CCENOHNISMGGDG-GFCCVEGCSA-N -1 1 376.486 1.871 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCOC3(CCC3)C2)cc1-c1nn[n-]n1 ZINC000821978288 607168963 /nfs/dbraw/zinc/16/89/63/607168963.db2.gz LJNDCNZMAAMZQN-SECBINFHSA-N -1 1 376.442 1.521 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(-c2cn3ccccc3n2)cc1 ZINC000823131776 607206791 /nfs/dbraw/zinc/20/67/91/607206791.db2.gz NZBWCPMPBMSIHZ-UHFFFAOYSA-N -1 1 386.379 1.412 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000823122484 607209012 /nfs/dbraw/zinc/20/90/12/607209012.db2.gz CGAUGUGMPAJZBF-UHFFFAOYSA-N -1 1 393.238 1.956 20 0 GDADMM CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821596688 607212106 /nfs/dbraw/zinc/21/21/06/607212106.db2.gz RMYNPXBXHLGJBY-GOEBONIOSA-N -1 1 382.428 1.085 20 0 GDADMM Cc1nc(-c2ccccc2)sc1CNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822422757 607213728 /nfs/dbraw/zinc/21/37/28/607213728.db2.gz CJERMUCXFHVZSX-UHFFFAOYSA-N -1 1 381.425 1.207 20 0 GDADMM CC(C)(CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1c(Cl)cccc1Cl ZINC000819981353 607214125 /nfs/dbraw/zinc/21/41/25/607214125.db2.gz SNPLWABYWLGPNI-UHFFFAOYSA-N -1 1 395.254 1.859 20 0 GDADMM CC(C)(C)[C@H](COc1ccccc1F)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000819899253 607216622 /nfs/dbraw/zinc/21/66/22/607216622.db2.gz QJBCHNLRKIURHE-ZDUSSCGKSA-N -1 1 388.407 1.207 20 0 GDADMM Cc1ccc(Oc2ccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)cc2)nc1 ZINC000822266942 607216753 /nfs/dbraw/zinc/21/67/53/607216753.db2.gz KUWAWVFFXWAMQW-UHFFFAOYSA-N -1 1 377.368 1.593 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H](C)Cc1cccc(O)c1 ZINC000822004739 607229749 /nfs/dbraw/zinc/22/97/49/607229749.db2.gz KHVPNHKPOBBREL-LLVKDONJSA-N -1 1 396.451 1.970 20 0 GDADMM COC(=O)c1ccc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)cc1F ZINC000821668616 607238772 /nfs/dbraw/zinc/23/87/72/607238772.db2.gz AVDDYSDGFUPGIG-UHFFFAOYSA-N -1 1 387.375 1.996 20 0 GDADMM COC(=O)c1ccc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)cc1F ZINC000821668616 607238773 /nfs/dbraw/zinc/23/87/73/607238773.db2.gz AVDDYSDGFUPGIG-UHFFFAOYSA-N -1 1 387.375 1.996 20 0 GDADMM CC1(C)C[C@@H]1C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000824796873 607805306 /nfs/dbraw/zinc/80/53/06/607805306.db2.gz TWXBXJVGGZODMK-CYBMUJFWSA-N -1 1 381.396 1.580 20 0 GDADMM CC1(C)C[C@@H]1C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000824796873 607805307 /nfs/dbraw/zinc/80/53/07/607805307.db2.gz TWXBXJVGGZODMK-CYBMUJFWSA-N -1 1 381.396 1.580 20 0 GDADMM O=S(=O)(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826488124 607818933 /nfs/dbraw/zinc/81/89/33/607818933.db2.gz IPLQFBLAVJBFAC-OWYVNGRQSA-N -1 1 395.872 1.756 20 0 GDADMM O=S(=O)(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826488124 607818934 /nfs/dbraw/zinc/81/89/34/607818934.db2.gz IPLQFBLAVJBFAC-OWYVNGRQSA-N -1 1 395.872 1.756 20 0 GDADMM CC[C@H](CCOC)OC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000825114801 607836638 /nfs/dbraw/zinc/83/66/38/607836638.db2.gz QDHGKHVHHKZFPK-CYBMUJFWSA-N -1 1 387.444 1.817 20 0 GDADMM CC[C@H](CCOC)OC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000825114801 607836639 /nfs/dbraw/zinc/83/66/39/607836639.db2.gz QDHGKHVHHKZFPK-CYBMUJFWSA-N -1 1 387.444 1.817 20 0 GDADMM Cn1c2nnc(COc3cccc(F)c3-c3nnn[n-]3)n2c2ccccc2c1=O ZINC000826354652 607863729 /nfs/dbraw/zinc/86/37/29/607863729.db2.gz ORQNWGAFNKBEIE-UHFFFAOYSA-N -1 1 392.354 1.479 20 0 GDADMM Cn1c2nnc(COc3cccc(F)c3-c3nn[n-]n3)n2c2ccccc2c1=O ZINC000826354652 607863730 /nfs/dbraw/zinc/86/37/30/607863730.db2.gz ORQNWGAFNKBEIE-UHFFFAOYSA-N -1 1 392.354 1.479 20 0 GDADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)NCc1cnn(-c2ccccc2)c1 ZINC000826418690 607866389 /nfs/dbraw/zinc/86/63/89/607866389.db2.gz RSRDIKORIWIXTB-UHFFFAOYSA-N -1 1 393.382 1.887 20 0 GDADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)NCc1cnn(-c2ccccc2)c1 ZINC000826418690 607866390 /nfs/dbraw/zinc/86/63/90/607866390.db2.gz RSRDIKORIWIXTB-UHFFFAOYSA-N -1 1 393.382 1.887 20 0 GDADMM O=S(=O)(Oc1cccc(F)c1-c1nnn[n-]1)c1ccc2c(c1)OCCO2 ZINC000826493732 607868162 /nfs/dbraw/zinc/86/81/62/607868162.db2.gz ZXELRKHTISAAHF-UHFFFAOYSA-N -1 1 378.341 1.545 20 0 GDADMM O=S(=O)(Oc1cccc(F)c1-c1nn[n-]n1)c1ccc2c(c1)OCCO2 ZINC000826493732 607868163 /nfs/dbraw/zinc/86/81/63/607868163.db2.gz ZXELRKHTISAAHF-UHFFFAOYSA-N -1 1 378.341 1.545 20 0 GDADMM Cc1cc(OC[C@H](O)Cn2cnc(-c3nn[n-]n3)n2)c(C(C)C)cc1Cl ZINC000826271822 607869324 /nfs/dbraw/zinc/86/93/24/607869324.db2.gz JCVYXRQTJUXDMQ-LLVKDONJSA-N -1 1 377.836 1.983 20 0 GDADMM CC1=C(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)CCCO1 ZINC000824853257 607881822 /nfs/dbraw/zinc/88/18/22/607881822.db2.gz ZQPDVWGNIYJYFV-UHFFFAOYSA-N -1 1 385.428 1.465 20 0 GDADMM O=C(CSC1CCOCC1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000826419961 607894293 /nfs/dbraw/zinc/89/42/93/607894293.db2.gz SZILBWXBPDXHPP-UHFFFAOYSA-N -1 1 385.453 1.903 20 0 GDADMM O=C(CSC1CCOCC1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000826419961 607894294 /nfs/dbraw/zinc/89/42/94/607894294.db2.gz SZILBWXBPDXHPP-UHFFFAOYSA-N -1 1 385.453 1.903 20 0 GDADMM C[C@@H](CC(=O)c1ccccc1)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824392884 607971006 /nfs/dbraw/zinc/97/10/06/607971006.db2.gz PNSODNWPSJDKSO-NSHDSACASA-N -1 1 389.412 1.946 20 0 GDADMM C[C@@H](CC(=O)c1ccccc1)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824392884 607971007 /nfs/dbraw/zinc/97/10/07/607971007.db2.gz PNSODNWPSJDKSO-NSHDSACASA-N -1 1 389.412 1.946 20 0 GDADMM CN1C(=O)C[C@@H](C(=O)OCc2ccnc(-c3nnn[n-]3)c2)[C@H]1c1ccc(F)cc1 ZINC000826011172 607979550 /nfs/dbraw/zinc/97/95/50/607979550.db2.gz ZQRLSJDMFCVWQF-RHSMWYFYSA-N -1 1 396.382 1.664 20 0 GDADMM CN1C(=O)C[C@@H](C(=O)OCc2ccnc(-c3nn[n-]n3)c2)[C@H]1c1ccc(F)cc1 ZINC000826011172 607979551 /nfs/dbraw/zinc/97/95/51/607979551.db2.gz ZQRLSJDMFCVWQF-RHSMWYFYSA-N -1 1 396.382 1.664 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])C1=NN(Cc2ccccc2)C(=O)CC1 ZINC000826451273 607997136 /nfs/dbraw/zinc/99/71/36/607997136.db2.gz YNFXIDCPPXXUOU-UHFFFAOYSA-N -1 1 391.391 1.689 20 0 GDADMM Cc1ccc(CNC(=O)NCC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1 ZINC000826288012 607997305 /nfs/dbraw/zinc/99/73/05/607997305.db2.gz MXBCJFBAHSPWSX-UHFFFAOYSA-N -1 1 381.396 1.319 20 0 GDADMM C[C@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000824045369 607998952 /nfs/dbraw/zinc/99/89/52/607998952.db2.gz LSBOUPJFPCOYCK-USWWRNFRSA-N -1 1 384.396 1.075 20 0 GDADMM CCOC(=O)c1sc2nc(Cn3ccnc3-c3nnn[n-]3)nc(N)c2c1C ZINC000825577436 608013305 /nfs/dbraw/zinc/01/33/05/608013305.db2.gz WMGKYXFFMVCKNC-UHFFFAOYSA-N -1 1 385.413 1.184 20 0 GDADMM CCOC(=O)c1sc2nc(Cn3ccnc3-c3nn[n-]n3)nc(N)c2c1C ZINC000825577436 608013306 /nfs/dbraw/zinc/01/33/06/608013306.db2.gz WMGKYXFFMVCKNC-UHFFFAOYSA-N -1 1 385.413 1.184 20 0 GDADMM CCOC(=O)Nc1ccc2c(Cn3ccnc3-c3nnn[n-]3)cc(=O)oc2c1 ZINC000825553222 608013509 /nfs/dbraw/zinc/01/35/09/608013509.db2.gz NPSGXYYFEHXKRW-UHFFFAOYSA-N -1 1 381.352 1.786 20 0 GDADMM CCOC(=O)Nc1ccc2c(Cn3ccnc3-c3nn[n-]n3)cc(=O)oc2c1 ZINC000825553222 608013510 /nfs/dbraw/zinc/01/35/10/608013510.db2.gz NPSGXYYFEHXKRW-UHFFFAOYSA-N -1 1 381.352 1.786 20 0 GDADMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1ccnn1Cc1ccccc1Cl ZINC000826424764 608013599 /nfs/dbraw/zinc/01/35/99/608013599.db2.gz BNTKQZBCXXDPLO-UHFFFAOYSA-N -1 1 383.803 1.600 20 0 GDADMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1ccnn1Cc1ccccc1Cl ZINC000826424764 608013600 /nfs/dbraw/zinc/01/36/00/608013600.db2.gz BNTKQZBCXXDPLO-UHFFFAOYSA-N -1 1 383.803 1.600 20 0 GDADMM Cc1oc(NC(=O)COC(=O)[C@H]2CCC(=O)C[C@@H]2C)c(-c2nn[n-]n2)c1C ZINC000826342710 608029991 /nfs/dbraw/zinc/02/99/91/608029991.db2.gz WVCSNDPAMFNWNQ-UFBFGSQYSA-N -1 1 375.385 1.564 20 0 GDADMM Cc1cncc(CNC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)c1 ZINC000826319255 608038207 /nfs/dbraw/zinc/03/82/07/608038207.db2.gz VHUSIOGKBDAESS-UHFFFAOYSA-N -1 1 391.439 1.479 20 0 GDADMM Cc1cncc(CNC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)c1 ZINC000826319255 608038208 /nfs/dbraw/zinc/03/82/08/608038208.db2.gz VHUSIOGKBDAESS-UHFFFAOYSA-N -1 1 391.439 1.479 20 0 GDADMM O=S(=O)(NCC1(c2ccc(F)cc2F)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826489933 608057853 /nfs/dbraw/zinc/05/78/53/608057853.db2.gz DZLIGZJSNBHAQD-UHFFFAOYSA-N -1 1 392.391 1.550 20 0 GDADMM O=S(=O)(NCC1(c2ccc(F)cc2F)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826489933 608057854 /nfs/dbraw/zinc/05/78/54/608057854.db2.gz DZLIGZJSNBHAQD-UHFFFAOYSA-N -1 1 392.391 1.550 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CC(C)(C)OC2=O)c1-c1nn[n-]n1 ZINC000826231554 608075501 /nfs/dbraw/zinc/07/55/01/608075501.db2.gz PQDOZAHTUYACNB-LLVKDONJSA-N -1 1 388.453 1.685 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OC[C@H]1CC[C@@H](C)O1 ZINC000826328466 608076420 /nfs/dbraw/zinc/07/64/20/608076420.db2.gz RVGKUWYEHJHMAX-ZWNOBZJWSA-N -1 1 385.428 1.570 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OC[C@H]1CC[C@@H](C)O1 ZINC000826328466 608076421 /nfs/dbraw/zinc/07/64/21/608076421.db2.gz RVGKUWYEHJHMAX-ZWNOBZJWSA-N -1 1 385.428 1.570 20 0 GDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000826395393 608078277 /nfs/dbraw/zinc/07/82/77/608078277.db2.gz ZEAKWCZZZUIVRZ-UHFFFAOYSA-N -1 1 388.185 1.524 20 0 GDADMM Cc1cccc(NC(=O)NC(=O)Cn2nc(C)c(C)c(-c3nn[n-]n3)c2=O)c1C ZINC000826299355 608079534 /nfs/dbraw/zinc/07/95/34/608079534.db2.gz AVWMDTOBBXTPHW-UHFFFAOYSA-N -1 1 396.411 1.005 20 0 GDADMM O=S(=O)(NC1(c2ccc(F)cc2F)CCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826487165 608097275 /nfs/dbraw/zinc/09/72/75/608097275.db2.gz FVERZCGASLYQPM-UHFFFAOYSA-N -1 1 392.391 1.898 20 0 GDADMM O=S(=O)(NC1(c2ccc(F)cc2F)CCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826487165 608097276 /nfs/dbraw/zinc/09/72/76/608097276.db2.gz FVERZCGASLYQPM-UHFFFAOYSA-N -1 1 392.391 1.898 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H](C)c1nnc(C(C)C)[nH]1 ZINC000826232916 608108702 /nfs/dbraw/zinc/10/87/02/608108702.db2.gz MVVMGOYOCJBRBN-NSHDSACASA-N -1 1 399.459 1.636 20 0 GDADMM C[C@@H]1OCC[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825020228 608111698 /nfs/dbraw/zinc/11/16/98/608111698.db2.gz JNLVHWAYZWMIEU-XVKPBYJWSA-N -1 1 377.348 1.341 20 0 GDADMM O=S(=O)(NCc1noc(C2CC2)n1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826492416 608112102 /nfs/dbraw/zinc/11/21/02/608112102.db2.gz JLINQLTYDSUDQW-UHFFFAOYSA-N -1 1 381.805 1.259 20 0 GDADMM O=S(=O)(NCc1noc(C2CC2)n1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826492416 608112103 /nfs/dbraw/zinc/11/21/03/608112103.db2.gz JLINQLTYDSUDQW-UHFFFAOYSA-N -1 1 381.805 1.259 20 0 GDADMM CCOC(=O)[C@H](CCC(C)(C)C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825493379 608124555 /nfs/dbraw/zinc/12/45/55/608124555.db2.gz LDEAKCIKVMYRQO-ZDUSSCGKSA-N -1 1 396.473 1.298 20 0 GDADMM CCOC(=O)[C@H](CCC(C)(C)C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825493379 608124556 /nfs/dbraw/zinc/12/45/56/608124556.db2.gz LDEAKCIKVMYRQO-ZDUSSCGKSA-N -1 1 396.473 1.298 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000826494467 608126059 /nfs/dbraw/zinc/12/60/59/608126059.db2.gz DESOFELDGSEYDL-CYBMUJFWSA-N -1 1 390.400 1.243 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000826494467 608126060 /nfs/dbraw/zinc/12/60/60/608126060.db2.gz DESOFELDGSEYDL-CYBMUJFWSA-N -1 1 390.400 1.243 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@]1(C)CCO[C@@H]1C1CC1 ZINC000826232603 608140682 /nfs/dbraw/zinc/14/06/82/608140682.db2.gz AARNWENFHHYWQS-VQIMIIECSA-N -1 1 386.456 1.591 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000826232600 608140906 /nfs/dbraw/zinc/14/09/06/608140906.db2.gz AARNWENFHHYWQS-APWZRJJASA-N -1 1 386.456 1.591 20 0 GDADMM O=C(N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000826428631 608168600 /nfs/dbraw/zinc/16/86/00/608168600.db2.gz HMKKGRNZWGRESX-MRVPVSSYSA-N -1 1 390.375 1.742 20 0 GDADMM O=C(N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000826428631 608168601 /nfs/dbraw/zinc/16/86/01/608168601.db2.gz HMKKGRNZWGRESX-MRVPVSSYSA-N -1 1 390.375 1.742 20 0 GDADMM CCCc1ncc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)s1 ZINC000825353537 608211078 /nfs/dbraw/zinc/21/10/78/608211078.db2.gz YIAWZYMWKRDGPS-UHFFFAOYSA-N -1 1 375.462 1.286 20 0 GDADMM CCCc1ncc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)s1 ZINC000825353537 608211079 /nfs/dbraw/zinc/21/10/79/608211079.db2.gz YIAWZYMWKRDGPS-UHFFFAOYSA-N -1 1 375.462 1.286 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000825929887 608211709 /nfs/dbraw/zinc/21/17/09/608211709.db2.gz NSUAGWGOOMIZEW-UHFFFAOYSA-N -1 1 392.427 1.267 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C=C1CCSCC1 ZINC000824999975 608238615 /nfs/dbraw/zinc/23/86/15/608238615.db2.gz LQBJGEDEGNXJSR-GFCCVEGCSA-N -1 1 386.485 1.147 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C=C1CCSCC1 ZINC000824999975 608238616 /nfs/dbraw/zinc/23/86/16/608238616.db2.gz LQBJGEDEGNXJSR-GFCCVEGCSA-N -1 1 386.485 1.147 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000826495282 608305962 /nfs/dbraw/zinc/30/59/62/608305962.db2.gz JONBUAWHFLZSCU-QWHCGFSZSA-N -1 1 395.460 1.833 20 0 GDADMM CC(C)c1ccc(C[C@@H](C)Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1 ZINC000824457101 608306320 /nfs/dbraw/zinc/30/63/20/608306320.db2.gz FBRXGDXVRYXFRV-GFCCVEGCSA-N -1 1 383.456 1.431 20 0 GDADMM CCCCOCCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825291574 608339021 /nfs/dbraw/zinc/33/90/21/608339021.db2.gz UEGDMHGMKXNBGF-UHFFFAOYSA-N -1 1 392.464 1.080 20 0 GDADMM CCCCOCCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825291574 608339023 /nfs/dbraw/zinc/33/90/23/608339023.db2.gz UEGDMHGMKXNBGF-UHFFFAOYSA-N -1 1 392.464 1.080 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCCc2cccs2)n1 ZINC000824147144 608339440 /nfs/dbraw/zinc/33/94/40/608339440.db2.gz ADPCJVLKHNMFFN-UHFFFAOYSA-N -1 1 388.457 1.177 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCCc2cccs2)n1 ZINC000824147144 608339441 /nfs/dbraw/zinc/33/94/41/608339441.db2.gz ADPCJVLKHNMFFN-UHFFFAOYSA-N -1 1 388.457 1.177 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N[C@@H]2COc3ccccc32)n1 ZINC000824147644 608351085 /nfs/dbraw/zinc/35/10/85/608351085.db2.gz FRRNJUFROWAXDQ-GFCCVEGCSA-N -1 1 396.411 1.007 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N[C@@H]2COc3ccccc32)n1 ZINC000824147644 608351087 /nfs/dbraw/zinc/35/10/87/608351087.db2.gz FRRNJUFROWAXDQ-GFCCVEGCSA-N -1 1 396.411 1.007 20 0 GDADMM CCCC[C@@H](COC)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825261285 608353626 /nfs/dbraw/zinc/35/36/26/608353626.db2.gz VXYHLLLQZCJKOX-NSHDSACASA-N -1 1 392.464 1.078 20 0 GDADMM CCCC[C@@H](COC)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825261285 608353629 /nfs/dbraw/zinc/35/36/29/608353629.db2.gz VXYHLLLQZCJKOX-NSHDSACASA-N -1 1 392.464 1.078 20 0 GDADMM C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)[C@@H](C)C1 ZINC000824915356 608353789 /nfs/dbraw/zinc/35/37/89/608353789.db2.gz DJWCSNLECWIYDG-NTZNESFSSA-N -1 1 388.476 1.698 20 0 GDADMM C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)[C@@H](C)C1 ZINC000824915356 608353791 /nfs/dbraw/zinc/35/37/91/608353791.db2.gz DJWCSNLECWIYDG-NTZNESFSSA-N -1 1 388.476 1.698 20 0 GDADMM CCSCC[C@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825674060 608355264 /nfs/dbraw/zinc/35/52/64/608355264.db2.gz HHEDSNNMFIEGGZ-JTQLQIEISA-N -1 1 394.505 1.405 20 0 GDADMM CCSCC[C@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825674060 608355266 /nfs/dbraw/zinc/35/52/66/608355266.db2.gz HHEDSNNMFIEGGZ-JTQLQIEISA-N -1 1 394.505 1.405 20 0 GDADMM CCSCC[C@@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825674061 608355528 /nfs/dbraw/zinc/35/55/28/608355528.db2.gz HHEDSNNMFIEGGZ-SNVBAGLBSA-N -1 1 394.505 1.405 20 0 GDADMM CCSCC[C@@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825674061 608355530 /nfs/dbraw/zinc/35/55/30/608355530.db2.gz HHEDSNNMFIEGGZ-SNVBAGLBSA-N -1 1 394.505 1.405 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC[C@@H]2COC3(CCCC3)O2)cc1-c1nn[n-]n1 ZINC000826229779 608359148 /nfs/dbraw/zinc/35/91/48/608359148.db2.gz RDPPRWDDNJELNB-SECBINFHSA-N -1 1 392.441 1.105 20 0 GDADMM CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825395815 608390227 /nfs/dbraw/zinc/39/02/27/608390227.db2.gz WFGFLSUNVRDLBH-UHFFFAOYSA-N -1 1 381.400 1.080 20 0 GDADMM CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825395815 608390229 /nfs/dbraw/zinc/39/02/29/608390229.db2.gz WFGFLSUNVRDLBH-UHFFFAOYSA-N -1 1 381.400 1.080 20 0 GDADMM O=C(c1cccc(Cl)c1)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826473742 608403961 /nfs/dbraw/zinc/40/39/61/608403961.db2.gz LYSHQOSLOVCGOP-UHFFFAOYSA-N -1 1 384.831 1.663 20 0 GDADMM O=C(c1cccc(Cl)c1)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826473742 608403962 /nfs/dbraw/zinc/40/39/62/608403962.db2.gz LYSHQOSLOVCGOP-UHFFFAOYSA-N -1 1 384.831 1.663 20 0 GDADMM Brc1cc(CNc2ccc(-c3nnn[n-]3)nn2)cc2c1OCO2 ZINC000823827003 608404409 /nfs/dbraw/zinc/40/44/09/608404409.db2.gz SBGYDPNAXGVCBS-UHFFFAOYSA-N -1 1 376.174 1.760 20 0 GDADMM Brc1cc(CNc2ccc(-c3nn[n-]n3)nn2)cc2c1OCO2 ZINC000823827003 608404410 /nfs/dbraw/zinc/40/44/10/608404410.db2.gz SBGYDPNAXGVCBS-UHFFFAOYSA-N -1 1 376.174 1.760 20 0 GDADMM O[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)COc1ccc(C(F)(F)F)cc1 ZINC000826502682 608406166 /nfs/dbraw/zinc/40/61/66/608406166.db2.gz IVSSNOPXIIWESS-JTQLQIEISA-N -1 1 381.318 1.527 20 0 GDADMM O[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)COc1ccc(C(F)(F)F)cc1 ZINC000826502682 608406169 /nfs/dbraw/zinc/40/61/69/608406169.db2.gz IVSSNOPXIIWESS-JTQLQIEISA-N -1 1 381.318 1.527 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCc1ccc(Cl)cc1 ZINC000825929436 608408326 /nfs/dbraw/zinc/40/83/26/608408326.db2.gz FTOVZFFNUXQRFN-UHFFFAOYSA-N -1 1 389.851 1.600 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCc1ccc(Cl)cc1 ZINC000825929436 608408327 /nfs/dbraw/zinc/40/83/27/608408327.db2.gz FTOVZFFNUXQRFN-UHFFFAOYSA-N -1 1 389.851 1.600 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1nc(C2CC2)cs1 ZINC000825930308 608408389 /nfs/dbraw/zinc/40/83/89/608408389.db2.gz RVZOKLDMUYGSOH-UHFFFAOYSA-N -1 1 388.461 1.602 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1nc(C2CC2)cs1 ZINC000825930308 608408391 /nfs/dbraw/zinc/40/83/91/608408391.db2.gz RVZOKLDMUYGSOH-UHFFFAOYSA-N -1 1 388.461 1.602 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C(=O)c1ccc(Cl)cc1 ZINC000825923337 608408471 /nfs/dbraw/zinc/40/84/71/608408471.db2.gz HLLHZOAPRZYLQZ-UHFFFAOYSA-N -1 1 388.819 1.099 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C(=O)c1ccc(Cl)cc1 ZINC000825923337 608408472 /nfs/dbraw/zinc/40/84/72/608408472.db2.gz HLLHZOAPRZYLQZ-UHFFFAOYSA-N -1 1 388.819 1.099 20 0 GDADMM CC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccccc1OCC(=O)N(C)C ZINC000825148588 608429199 /nfs/dbraw/zinc/42/91/99/608429199.db2.gz REPYWKMEWHKOEV-CYBMUJFWSA-N -1 1 382.428 1.687 20 0 GDADMM CC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccccc1OCC(=O)N(C)C ZINC000825148588 608429200 /nfs/dbraw/zinc/42/92/00/608429200.db2.gz REPYWKMEWHKOEV-CYBMUJFWSA-N -1 1 382.428 1.687 20 0 GDADMM CC(C)(F)C(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000824162905 608529292 /nfs/dbraw/zinc/52/92/92/608529292.db2.gz TZVKGXUODNKESY-UHFFFAOYSA-N -1 1 375.364 1.511 20 0 GDADMM COC(=O)C1CCC(C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CC1 ZINC000826129449 608546087 /nfs/dbraw/zinc/54/60/87/608546087.db2.gz SLYQGLGZMSABAB-UHFFFAOYSA-N -1 1 375.433 1.736 20 0 GDADMM COC(=O)C1CCC(C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CC1 ZINC000826129449 608546088 /nfs/dbraw/zinc/54/60/88/608546088.db2.gz SLYQGLGZMSABAB-UHFFFAOYSA-N -1 1 375.433 1.736 20 0 GDADMM CCSc1cccc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000825674495 608555080 /nfs/dbraw/zinc/55/50/80/608555080.db2.gz MPBOSEROIACXLQ-UHFFFAOYSA-N -1 1 386.485 1.989 20 0 GDADMM CCSc1cccc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000825674495 608555081 /nfs/dbraw/zinc/55/50/81/608555081.db2.gz MPBOSEROIACXLQ-UHFFFAOYSA-N -1 1 386.485 1.989 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@@]1(C)CCc2ccccc2C1 ZINC000825923128 608559042 /nfs/dbraw/zinc/55/90/42/608559042.db2.gz CRFZKLWUENWNSX-FQEVSTJZSA-N -1 1 394.483 1.758 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@@]1(C)CCc2ccccc2C1 ZINC000825923128 608559043 /nfs/dbraw/zinc/55/90/43/608559043.db2.gz CRFZKLWUENWNSX-FQEVSTJZSA-N -1 1 394.483 1.758 20 0 GDADMM CC[C@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1c(C)noc1C ZINC000825040068 608559590 /nfs/dbraw/zinc/55/95/90/608559590.db2.gz YKJUIJNWJRJUOH-NSHDSACASA-N -1 1 387.448 1.362 20 0 GDADMM CC[C@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1c(C)noc1C ZINC000825040068 608559591 /nfs/dbraw/zinc/55/95/91/608559591.db2.gz YKJUIJNWJRJUOH-NSHDSACASA-N -1 1 387.448 1.362 20 0 GDADMM CC(C)c1ccc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c(O)c1 ZINC000824348012 608559792 /nfs/dbraw/zinc/55/97/92/608559792.db2.gz WSUGQTGOSRQWNL-UHFFFAOYSA-N -1 1 384.444 1.706 20 0 GDADMM CN1Cc2cc(OS(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)ccc2C1=O ZINC000826045071 608562707 /nfs/dbraw/zinc/56/27/07/608562707.db2.gz OIPDYFYIKUMVNJ-UHFFFAOYSA-N -1 1 389.368 1.359 20 0 GDADMM CN1Cc2cc(OS(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)ccc2C1=O ZINC000826045071 608562708 /nfs/dbraw/zinc/56/27/08/608562708.db2.gz OIPDYFYIKUMVNJ-UHFFFAOYSA-N -1 1 389.368 1.359 20 0 GDADMM CCOC(=O)C1(C(=O)OCc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)CC1 ZINC000825492100 608566540 /nfs/dbraw/zinc/56/65/40/608566540.db2.gz DAKQBWNOMBZWTO-UHFFFAOYSA-N -1 1 396.407 1.747 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCC(c2cn[nH]c2)CC1 ZINC000826494503 608567514 /nfs/dbraw/zinc/56/75/14/608567514.db2.gz FEKKUYYPMOUGIK-UHFFFAOYSA-N -1 1 393.860 1.812 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)c2ncn(-c3ccccc3)n2)n1 ZINC000824148059 608666611 /nfs/dbraw/zinc/66/66/11/608666611.db2.gz LYHVQFOGKXHKSG-UHFFFAOYSA-N -1 1 378.400 1.651 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2ncn(-c3ccccc3)n2)n1 ZINC000824148059 608666613 /nfs/dbraw/zinc/66/66/13/608666613.db2.gz LYHVQFOGKXHKSG-UHFFFAOYSA-N -1 1 378.400 1.651 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCC[C@H]1CCCCO1 ZINC000826328006 609141630 /nfs/dbraw/zinc/14/16/30/609141630.db2.gz CFWWESOVMSTNNA-CQSZACIVSA-N -1 1 398.471 1.534 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCC[C@H]1CCCCO1 ZINC000826328006 609141631 /nfs/dbraw/zinc/14/16/31/609141631.db2.gz CFWWESOVMSTNNA-CQSZACIVSA-N -1 1 398.471 1.534 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)Nc1nnc2n1CCCC2 ZINC000826340691 609176048 /nfs/dbraw/zinc/17/60/48/609176048.db2.gz HIBJKWNZFHFCJT-UHFFFAOYSA-N -1 1 379.384 1.739 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Nc1nnc2n1CCCC2 ZINC000826340691 609176050 /nfs/dbraw/zinc/17/60/50/609176050.db2.gz HIBJKWNZFHFCJT-UHFFFAOYSA-N -1 1 379.384 1.739 20 0 GDADMM Cc1nn(C)c(C)c1[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)C(F)(F)F ZINC000826333164 609271382 /nfs/dbraw/zinc/27/13/82/609271382.db2.gz WTBNERQLXVVNIF-JTQLQIEISA-N -1 1 398.353 1.376 20 0 GDADMM Cc1nn(C)c(C)c1[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)C(F)(F)F ZINC000826333164 609271384 /nfs/dbraw/zinc/27/13/84/609271384.db2.gz WTBNERQLXVVNIF-JTQLQIEISA-N -1 1 398.353 1.376 20 0 GDADMM COc1c(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)c(C)nn1C ZINC000826167324 609292525 /nfs/dbraw/zinc/29/25/25/609292525.db2.gz YKILIZMISOTJNW-UHFFFAOYSA-N -1 1 397.374 1.494 20 0 GDADMM C[C@@H](Cc1cccs1)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824457554 609298425 /nfs/dbraw/zinc/29/84/25/609298425.db2.gz PPJJVKTUGSYNMK-JTQLQIEISA-N -1 1 389.489 1.439 20 0 GDADMM C[C@@H](Cc1cccs1)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824457554 609298427 /nfs/dbraw/zinc/29/84/27/609298427.db2.gz PPJJVKTUGSYNMK-JTQLQIEISA-N -1 1 389.489 1.439 20 0 GDADMM C[C@@H]1CCC[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)[C@H]1C ZINC000824927267 609298700 /nfs/dbraw/zinc/29/87/00/609298700.db2.gz NKBMLSQJUOLBIV-GRYCIOLGSA-N -1 1 375.481 1.571 20 0 GDADMM C[C@@H]1CCC[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)[C@H]1C ZINC000824927267 609298701 /nfs/dbraw/zinc/29/87/01/609298701.db2.gz NKBMLSQJUOLBIV-GRYCIOLGSA-N -1 1 375.481 1.571 20 0 GDADMM Cc1ccccc1[C@H](C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826305590 609299737 /nfs/dbraw/zinc/29/97/37/609299737.db2.gz CAUUQUXRQFOMAU-LBPRGKRZSA-N -1 1 383.460 1.816 20 0 GDADMM Cc1ccccc1[C@H](C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826305590 609299739 /nfs/dbraw/zinc/29/97/39/609299739.db2.gz CAUUQUXRQFOMAU-LBPRGKRZSA-N -1 1 383.460 1.816 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCc1ccc(F)cc1F ZINC000825929243 609300475 /nfs/dbraw/zinc/30/04/75/609300475.db2.gz DLWOSUBIYXPHJS-UHFFFAOYSA-N -1 1 391.386 1.224 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCc1ccc(F)cc1F ZINC000825929243 609300477 /nfs/dbraw/zinc/30/04/77/609300477.db2.gz DLWOSUBIYXPHJS-UHFFFAOYSA-N -1 1 391.386 1.224 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCCSC(C)(C)C ZINC000825929842 609302854 /nfs/dbraw/zinc/30/28/54/609302854.db2.gz LUBQZIUNGVPORB-UHFFFAOYSA-N -1 1 381.510 1.278 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCCSC(C)(C)C ZINC000825929842 609302856 /nfs/dbraw/zinc/30/28/56/609302856.db2.gz LUBQZIUNGVPORB-UHFFFAOYSA-N -1 1 381.510 1.278 20 0 GDADMM Cc1ccc(CCNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000826287433 609303437 /nfs/dbraw/zinc/30/34/37/609303437.db2.gz OTCMIXYRNMCVRS-UHFFFAOYSA-N -1 1 383.460 1.297 20 0 GDADMM Cc1ccc(CCNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000826287433 609303436 /nfs/dbraw/zinc/30/34/36/609303436.db2.gz OTCMIXYRNMCVRS-UHFFFAOYSA-N -1 1 383.460 1.297 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000825929095 609303697 /nfs/dbraw/zinc/30/36/97/609303697.db2.gz AKWXTKYZGYDSQZ-GXTWGEPZSA-N -1 1 387.492 1.715 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000825929095 609303699 /nfs/dbraw/zinc/30/36/99/609303699.db2.gz AKWXTKYZGYDSQZ-GXTWGEPZSA-N -1 1 387.492 1.715 20 0 GDADMM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824874561 609304012 /nfs/dbraw/zinc/30/40/12/609304012.db2.gz DVUQTUAVPHDDBB-NWDGAFQWSA-N -1 1 389.508 1.961 20 0 GDADMM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824874561 609304014 /nfs/dbraw/zinc/30/40/14/609304014.db2.gz DVUQTUAVPHDDBB-NWDGAFQWSA-N -1 1 389.508 1.961 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@H]1C[C@]1(C)c1ccccc1 ZINC000825930772 609304656 /nfs/dbraw/zinc/30/46/56/609304656.db2.gz YRXCHMLFWQIEHM-IFXJQAMLSA-N -1 1 395.471 1.476 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@H]1C[C@]1(C)c1ccccc1 ZINC000825930772 609304657 /nfs/dbraw/zinc/30/46/57/609304657.db2.gz YRXCHMLFWQIEHM-IFXJQAMLSA-N -1 1 395.471 1.476 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NC[C@]1(C)CCCS1 ZINC000825930351 609308144 /nfs/dbraw/zinc/30/81/44/609308144.db2.gz UFKOGXAKIRYWTC-HNNXBMFYSA-N -1 1 379.494 1.032 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NC[C@]1(C)CCCS1 ZINC000825930351 609308147 /nfs/dbraw/zinc/30/81/47/609308147.db2.gz UFKOGXAKIRYWTC-HNNXBMFYSA-N -1 1 379.494 1.032 20 0 GDADMM COC[C@@H](CNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1)OC ZINC000826149272 609311815 /nfs/dbraw/zinc/31/18/15/609311815.db2.gz DOGRKZGBFZNCID-SNVBAGLBSA-N -1 1 378.458 1.252 20 0 GDADMM Cc1cc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)c(C)nn1 ZINC000826260296 609312788 /nfs/dbraw/zinc/31/27/88/609312788.db2.gz GUZMPZCEHUKNER-UHFFFAOYSA-N -1 1 379.359 1.851 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)[C@@H]1CCc2c[nH]nc2C1 ZINC000826458483 609313903 /nfs/dbraw/zinc/31/39/03/609313903.db2.gz RNNFJDRGEUYPFU-SNVBAGLBSA-N -1 1 393.386 1.658 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@H](F)Cc1ccccc1 ZINC000825001293 609328964 /nfs/dbraw/zinc/32/89/64/609328964.db2.gz YSEHRBJORQARCG-DZGCQCFKSA-N -1 1 396.430 1.275 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@H](F)Cc1ccccc1 ZINC000825001293 609328966 /nfs/dbraw/zinc/32/89/66/609328966.db2.gz YSEHRBJORQARCG-DZGCQCFKSA-N -1 1 396.430 1.275 20 0 GDADMM CCCCCNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825275910 609353987 /nfs/dbraw/zinc/35/39/87/609353987.db2.gz HJGOEFXPQULUMQ-UHFFFAOYSA-N -1 1 386.391 1.436 20 0 GDADMM C[C@]1(NC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CCCOC1 ZINC000824828990 609357730 /nfs/dbraw/zinc/35/77/30/609357730.db2.gz BYOZERPROXREAX-KRWDZBQOSA-N -1 1 386.391 1.882 20 0 GDADMM C[C@H]1C[C@H](NC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CCO1 ZINC000824892595 609362686 /nfs/dbraw/zinc/36/26/86/609362686.db2.gz KNOJYAONBGSTAE-WDEREUQCSA-N -1 1 386.391 1.881 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OC[C@@H]1CCS(=O)(=O)C1 ZINC000826340796 609388952 /nfs/dbraw/zinc/38/89/52/609388952.db2.gz LICDLNVMXNZQEM-NSHDSACASA-N -1 1 391.409 1.150 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OC[C@@H]1CCS(=O)(=O)C1 ZINC000826340796 609388954 /nfs/dbraw/zinc/38/89/54/609388954.db2.gz LICDLNVMXNZQEM-NSHDSACASA-N -1 1 391.409 1.150 20 0 GDADMM CCc1cnccc1CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825739292 609448180 /nfs/dbraw/zinc/44/81/80/609448180.db2.gz CLBULKOGMUFRFR-UHFFFAOYSA-N -1 1 378.845 1.956 20 0 GDADMM CCc1cnccc1CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825739292 609448183 /nfs/dbraw/zinc/44/81/83/609448183.db2.gz CLBULKOGMUFRFR-UHFFFAOYSA-N -1 1 378.845 1.956 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@@H](COc2ccccc2)C1 ZINC000826494892 609585563 /nfs/dbraw/zinc/58/55/63/609585563.db2.gz UGBMRYCRJQMEIY-CYBMUJFWSA-N -1 1 386.437 1.351 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@@H](COc2ccccc2)C1 ZINC000826494892 609585565 /nfs/dbraw/zinc/58/55/65/609585565.db2.gz UGBMRYCRJQMEIY-CYBMUJFWSA-N -1 1 386.437 1.351 20 0 GDADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826465045 609638700 /nfs/dbraw/zinc/63/87/00/609638700.db2.gz WLRSAJRNDRXWRJ-KRWDZBQOSA-N -1 1 394.343 1.456 20 0 GDADMM O=S(=O)([N-]c1cc(-c2ccc(Br)s2)[nH]n1)N1CCOCC1 ZINC000532206909 650019069 /nfs/dbraw/zinc/01/90/69/650019069.db2.gz DKSHGNLMEDXXJT-UHFFFAOYSA-N -1 1 393.288 1.890 20 0 GDADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC2(O)CCC2)c(OC)c1 ZINC000534871810 650233314 /nfs/dbraw/zinc/23/33/14/650233314.db2.gz AMMLXBSLMWULOG-UHFFFAOYSA-N -1 1 392.499 1.040 20 0 GDADMM COC[C@H](CCO)[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000536703920 650278810 /nfs/dbraw/zinc/27/88/10/650278810.db2.gz GWPNYBPDOGSAQI-LURJTMIESA-N -1 1 378.697 1.840 20 0 GDADMM O=C(NC1(c2nn[n-]n2)CCCC1)c1cnn2cc(Br)cnc12 ZINC000536707771 650279254 /nfs/dbraw/zinc/27/92/54/650279254.db2.gz QJPDBCYKDMHSDU-UHFFFAOYSA-N -1 1 377.206 1.204 20 0 GDADMM CN(CC(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O)C(=O)c1cccs1 ZINC000536938740 650284216 /nfs/dbraw/zinc/28/42/16/650284216.db2.gz DSIFUILOXDHGEG-UHFFFAOYSA-N -1 1 385.442 1.969 20 0 GDADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cnn(C)c1)c1ccc(OC(F)F)cc1 ZINC000539222884 650331257 /nfs/dbraw/zinc/33/12/57/650331257.db2.gz PRSFMNQXQJVPGI-LBPRGKRZSA-N -1 1 375.353 1.214 20 0 GDADMM NS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)c1 ZINC000542237246 650400926 /nfs/dbraw/zinc/40/09/26/650400926.db2.gz ZUKAQUOMODIZKE-UHFFFAOYSA-N -1 1 392.405 1.779 20 0 GDADMM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)[N-]c2cn(C)cc(Br)c2=O)C1 ZINC000542740630 650411445 /nfs/dbraw/zinc/41/14/45/650411445.db2.gz SQFTZDJTMQZPSP-NXEZZACHSA-N -1 1 378.292 1.782 20 0 GDADMM CCOc1cc(C(=O)NC2CCN(S(C)(=O)=O)CC2)cc(Cl)c1[O-] ZINC000545877538 650464014 /nfs/dbraw/zinc/46/40/14/650464014.db2.gz REKNAUQCCMOECE-UHFFFAOYSA-N -1 1 376.862 1.598 20 0 GDADMM O=C(NCC[N-]S(=O)(=O)c1ccc(Br)o1)c1ccccc1F ZINC000546074160 650469962 /nfs/dbraw/zinc/46/99/62/650469962.db2.gz MOFXVMJTFFXBGQ-UHFFFAOYSA-N -1 1 391.218 1.890 20 0 GDADMM C[C@H](CNC(=O)c1cc(=O)n2[n-]cnc2n1)Oc1cccc(Br)c1 ZINC000546083231 650470392 /nfs/dbraw/zinc/47/03/92/650470392.db2.gz ABYJWXBECIUTJI-SECBINFHSA-N -1 1 392.213 1.377 20 0 GDADMM O=S(=O)([N-][C@H]1CCCC[C@H]1N1CCOCC1)c1ccc(Br)o1 ZINC000546777740 650485817 /nfs/dbraw/zinc/48/58/17/650485817.db2.gz WHHJKNLEIHKXKA-NWDGAFQWSA-N -1 1 393.303 1.964 20 0 GDADMM CSCc1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000546781644 650486257 /nfs/dbraw/zinc/48/62/57/650486257.db2.gz VKEHKHNWVXCQEM-UHFFFAOYSA-N -1 1 377.447 1.880 20 0 GDADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)CCO)cc2)cc1 ZINC000547822338 650516694 /nfs/dbraw/zinc/51/66/94/650516694.db2.gz ZJWQCFRZQVDAAE-UHFFFAOYSA-N -1 1 385.463 1.652 20 0 GDADMM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc3c(c2)[nH]c(=S)n(C)c3=O)s1 ZINC000916181400 660188332 /nfs/dbraw/zinc/18/83/32/660188332.db2.gz LDSXHIUJJLCGGX-UHFFFAOYSA-N -1 1 395.487 1.711 20 0 GDADMM CSc1ccc(S(=O)(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])cc1Cl ZINC000548200889 650534157 /nfs/dbraw/zinc/53/41/57/650534157.db2.gz UZMFQJBWQLNWPB-LLVKDONJSA-N -1 1 375.859 1.759 20 0 GDADMM O=C([O-])[C@H](CNS(=O)(=O)c1c(F)cc(F)cc1F)Oc1ccccc1 ZINC000549938226 650585862 /nfs/dbraw/zinc/58/58/62/650585862.db2.gz PCRHEUFCRMHIQJ-ZDUSSCGKSA-N -1 1 375.324 1.914 20 0 GDADMM COc1cc(C(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)cc(Cl)c1[O-] ZINC000555162268 650686608 /nfs/dbraw/zinc/68/66/08/650686608.db2.gz RAYBHUYIMNGELW-UHFFFAOYSA-N -1 1 388.873 1.694 20 0 GDADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC[C@H](C)F)c(OC)c1 ZINC000555412598 650690523 /nfs/dbraw/zinc/69/05/23/650690523.db2.gz DBNFAXIEIHACFX-NSHDSACASA-N -1 1 382.479 1.873 20 0 GDADMM CCn1cc([C@@H]2NC(=O)CC[C@H]2[N-]S(=O)(=O)c2sccc2Cl)cn1 ZINC000556302199 650701470 /nfs/dbraw/zinc/70/14/70/650701470.db2.gz URNHHTBMLNVMJK-YPMHNXCESA-N -1 1 388.902 1.916 20 0 GDADMM C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000564379151 650756512 /nfs/dbraw/zinc/75/65/12/650756512.db2.gz LPIBHCIPBYEDDU-GZMMTYOYSA-N -1 1 399.266 1.866 20 0 GDADMM CN(CC1CC(O)C1)C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000564523376 650760350 /nfs/dbraw/zinc/76/03/50/650760350.db2.gz BORREEDDEVCINY-UHFFFAOYSA-N -1 1 381.281 1.501 20 0 GDADMM Cc1csc2ncnc(NCC[N-]S(=O)(=O)c3sc(=O)[nH]c3C)c12 ZINC000564783810 650767708 /nfs/dbraw/zinc/76/77/08/650767708.db2.gz VHLSGOWPRSYHQI-UHFFFAOYSA-N -1 1 385.496 1.861 20 0 GDADMM CC1(F)CC(NS(=O)(=O)c2ccc(S(=O)(=O)[N-]c3cnc[nH]3)cc2)C1 ZINC000566487415 650849624 /nfs/dbraw/zinc/84/96/24/650849624.db2.gz ZIROKTZBJZABOV-UHFFFAOYSA-N -1 1 388.446 1.379 20 0 GDADMM Cc1nn(C)cc1S(=O)(=O)[N-]c1cc(N2CCCS2(=O)=O)ccc1F ZINC000566935793 650875097 /nfs/dbraw/zinc/87/50/97/650875097.db2.gz IGNBNDVGNAEAKH-UHFFFAOYSA-N -1 1 388.446 1.208 20 0 GDADMM Cc1cnc(CNC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)o1 ZINC000567433869 650904296 /nfs/dbraw/zinc/90/42/96/650904296.db2.gz FZSIVFVPTUVMRL-UHFFFAOYSA-N -1 1 378.237 1.885 20 0 GDADMM COC(=O)[C@H](F)C(Nc1ccc(Cl)cc1C)=C1C(=O)[N-]C(=S)NC1=O ZINC000009771915 644222226 /nfs/dbraw/zinc/22/22/26/644222226.db2.gz DPGMHWYWIDYSHI-SNVBAGLBSA-N -1 1 385.804 1.356 20 0 GDADMM CCN1CCC(NS(=O)(=O)c2cc(C(=O)[O-])sc2Br)CC1 ZINC000037987912 644321113 /nfs/dbraw/zinc/32/11/13/644321113.db2.gz UQFFBVGYLUEYBT-UHFFFAOYSA-N -1 1 397.316 1.971 20 0 GDADMM CC(=O)N1CCC([N-]S(=O)(=O)c2cc(Br)cnc2Cl)CC1 ZINC000041065814 644324257 /nfs/dbraw/zinc/32/42/57/644324257.db2.gz FKEBTUIDFIXUBQ-UHFFFAOYSA-N -1 1 396.694 1.787 20 0 GDADMM CS(=O)(=O)CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000042126068 644329887 /nfs/dbraw/zinc/32/98/87/644329887.db2.gz ASXQVQQOAJTGPQ-UHFFFAOYSA-N -1 1 382.463 1.262 20 0 GDADMM O=C(NN1CC(=O)[N-]C1=O)c1ccc(Oc2ccc(Br)cc2)nc1 ZINC000044946364 644350678 /nfs/dbraw/zinc/35/06/78/644350678.db2.gz FMTHQIUTZKDJJZ-UHFFFAOYSA-N -1 1 391.181 1.833 20 0 GDADMM CCNC(=O)N[N-]C(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl ZINC000065191513 644535095 /nfs/dbraw/zinc/53/50/95/644535095.db2.gz AFZGODCZSSJVGA-UHFFFAOYSA-N -1 1 376.866 1.334 20 0 GDADMM NS(=O)(=O)c1cc(C(=O)N[N-]C(=O)c2cc(F)ccc2F)ccc1Cl ZINC000115166094 644642709 /nfs/dbraw/zinc/64/27/09/644642709.db2.gz DLBDGPDOIPMRDC-UHFFFAOYSA-N -1 1 389.767 1.340 20 0 GDADMM C[C@H](Cc1ccco1)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000116786182 644647324 /nfs/dbraw/zinc/64/73/24/644647324.db2.gz JNNXVINRERJKQR-SNVBAGLBSA-N -1 1 376.431 1.700 20 0 GDADMM Cc1nc2[n-]cnn2c(=O)c1CCOC(=O)Cc1ccccc1Br ZINC000126040123 644718518 /nfs/dbraw/zinc/71/85/18/644718518.db2.gz AUGRJKUXEAWDIB-UHFFFAOYSA-N -1 1 391.225 1.817 20 0 GDADMM O=S(=O)([N-]c1cnc[nH]1)c1cccc(S(=O)(=O)N2CCC(F)(F)C2)c1 ZINC000568255323 650946810 /nfs/dbraw/zinc/94/68/10/650946810.db2.gz ZOTGQOWCOBMBEB-UHFFFAOYSA-N -1 1 392.409 1.240 20 0 GDADMM CS(=O)(=O)NCCN(C(=O)c1cc(Br)ccc1[O-])C1CC1 ZINC000568300738 650951725 /nfs/dbraw/zinc/95/17/25/650951725.db2.gz 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/nfs/dbraw/zinc/45/19/11/945451911.db2.gz INLREJJOSDILMQ-XYPYZODXSA-N -1 1 385.457 1.351 20 0 GDADMM Cc1nsc(N2CC[C@@H](NC(=O)c3ccncn3)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571263387 945457887 /nfs/dbraw/zinc/45/78/87/945457887.db2.gz OWTNNBUKTQVIOM-MWLCHTKSSA-N -1 1 385.457 1.209 20 0 GDADMM Cc1nsc(N2CC[C@H](NC(=O)c3nccc(C)n3)[C@H]2C)c1-c1nn[n-]n1 ZINC001571263481 945460060 /nfs/dbraw/zinc/46/00/60/945460060.db2.gz RGDRDFZVKMYMKN-MNOVXSKESA-N -1 1 385.457 1.127 20 0 GDADMM Cc1ncsc1C(=O)N1CC[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001571263557 945461411 /nfs/dbraw/zinc/46/14/11/945461411.db2.gz TXJIGCIVLITWPX-QWRGUYRKSA-N -1 1 385.457 1.445 20 0 GDADMM Cc1ncsc1C(=O)N1CC[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001571263557 945461416 /nfs/dbraw/zinc/46/14/16/945461416.db2.gz TXJIGCIVLITWPX-QWRGUYRKSA-N -1 1 385.457 1.445 20 0 GDADMM CO[C@@H](C)C(=O)N1CC[C@](C)(CNc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571265019 945497451 /nfs/dbraw/zinc/49/74/51/945497451.db2.gz CLQQHZIJQUDRHF-RMLUDKJBSA-N -1 1 385.881 1.662 20 0 GDADMM CO[C@@H](C)C(=O)N1CC[C@](C)(CNc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571265019 945497458 /nfs/dbraw/zinc/49/74/58/945497458.db2.gz CLQQHZIJQUDRHF-RMLUDKJBSA-N -1 1 385.881 1.662 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccncc1Cl ZINC001571265591 945514525 /nfs/dbraw/zinc/51/45/25/945514525.db2.gz MEARUFUDJPXIAU-JTQLQIEISA-N -1 1 385.819 1.104 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccncc1Cl ZINC001571265591 945514529 /nfs/dbraw/zinc/51/45/29/945514529.db2.gz MEARUFUDJPXIAU-JTQLQIEISA-N -1 1 385.819 1.104 20 0 GDADMM C[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)c1cc(F)cc(F)c1 ZINC001571267383 945568643 /nfs/dbraw/zinc/56/86/43/945568643.db2.gz SPQYCJVORWXAOY-ZANVPECISA-N -1 1 386.366 1.072 20 0 GDADMM COc1cc(C(=O)N2CC[C@H](Nc3snc(C)c3-c3nn[n-]n3)C2)ccn1 ZINC001571269614 945621941 /nfs/dbraw/zinc/62/19/41/945621941.db2.gz AGIFRBUKHYJMBF-NSHDSACASA-N -1 1 386.441 1.362 20 0 GDADMM COc1ccc(C(=O)N[C@H]2CCN(c3snc(C)c3-c3nn[n-]n3)C2)cn1 ZINC001571270000 945629027 /nfs/dbraw/zinc/62/90/27/945629027.db2.gz JXCQTTRDVGYBHB-NSHDSACASA-N -1 1 386.441 1.044 20 0 GDADMM Cc1nsc(N2CC[C@H](NC(=O)c3cc[nH]c(=O)c3)[C@H]2C)c1-c1nn[n-]n1 ZINC001571270304 945635727 /nfs/dbraw/zinc/63/57/27/945635727.db2.gz PPLLGKOLXZYBFZ-KOLCDFICSA-N -1 1 386.441 1.129 20 0 GDADMM CCCn1nccc1C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001571272278 945660131 /nfs/dbraw/zinc/66/01/31/945660131.db2.gz QQLGRYVKIOYUIY-UHFFFAOYSA-N -1 1 386.485 1.493 20 0 GDADMM O=C(CC[C@H]1CCOC1)N1CCC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571273069 945677064 /nfs/dbraw/zinc/67/70/64/945677064.db2.gz OKZWOVDONCMARW-UONOGXRCSA-N -1 1 386.460 1.124 20 0 GDADMM O=C(CC[C@H]1CCOC1)N1CCC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571273069 945677072 /nfs/dbraw/zinc/67/70/72/945677072.db2.gz OKZWOVDONCMARW-UONOGXRCSA-N -1 1 386.460 1.124 20 0 GDADMM O=C(CC[C@@H]1CCOC1)N1CC[C@@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571273345 945686202 /nfs/dbraw/zinc/68/62/02/945686202.db2.gz VVZFAROUYBPATB-ZIAGYGMSSA-N -1 1 386.460 1.124 20 0 GDADMM O=C(CC[C@@H]1CCOC1)N1CC[C@@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571273345 945686208 /nfs/dbraw/zinc/68/62/08/945686208.db2.gz VVZFAROUYBPATB-ZIAGYGMSSA-N -1 1 386.460 1.124 20 0 GDADMM CO[C@H](C(=O)N1CC[C@@](C)(CNc2cncc(-c3nnn[n-]3)n2)C1)C1CCC1 ZINC001571273532 945690575 /nfs/dbraw/zinc/69/05/75/945690575.db2.gz ZGSBWOBYIZHLNA-YJBOKZPZSA-N -1 1 386.460 1.122 20 0 GDADMM CO[C@H](C(=O)N1CC[C@@](C)(CNc2cncc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001571273532 945690579 /nfs/dbraw/zinc/69/05/79/945690579.db2.gz ZGSBWOBYIZHLNA-YJBOKZPZSA-N -1 1 386.460 1.122 20 0 GDADMM CCOC(=O)c1ccc(CNC(=O)Nc2cnc(OC)c(-c3nn[n-]n3)c2)o1 ZINC001571274346 945696740 /nfs/dbraw/zinc/69/67/40/945696740.db2.gz GBXYMTAKLHHUNJ-UHFFFAOYSA-N -1 1 387.356 1.362 20 0 GDADMM O=C(c1ccc(Cl)o1)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001571274907 945701507 /nfs/dbraw/zinc/70/15/07/945701507.db2.gz MNGGTEXTVLTOPS-AOOOYVTPSA-N -1 1 386.803 1.112 20 0 GDADMM O=C(c1ccc(Cl)o1)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001571274907 945701510 /nfs/dbraw/zinc/70/15/10/945701510.db2.gz MNGGTEXTVLTOPS-AOOOYVTPSA-N -1 1 386.803 1.112 20 0 GDADMM CN(CCOc1cccc(Cl)c1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821604951 945740485 /nfs/dbraw/zinc/74/04/85/945740485.db2.gz OJRWNJPQUKHJLX-UHFFFAOYSA-N -1 1 376.808 1.796 20 0 GDADMM CN(CCOc1cccc(Cl)c1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821604951 945740494 /nfs/dbraw/zinc/74/04/94/945740494.db2.gz OJRWNJPQUKHJLX-UHFFFAOYSA-N -1 1 376.808 1.796 20 0 GDADMM CC[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571278667 945757461 /nfs/dbraw/zinc/75/74/61/945757461.db2.gz QMIOKMGTUDIABU-IPYPFGDCSA-N -1 1 386.460 1.183 20 0 GDADMM CC[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571278667 945757472 /nfs/dbraw/zinc/75/74/72/945757472.db2.gz QMIOKMGTUDIABU-IPYPFGDCSA-N -1 1 386.460 1.183 20 0 GDADMM CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ccnc(-c2nnn[n-]2)c1)C1CCC1 ZINC001571278795 945759618 /nfs/dbraw/zinc/75/96/18/945759618.db2.gz CGKIPJMUHJRYIV-AWEZNQCLSA-N -1 1 387.444 1.571 20 0 GDADMM CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ccnc(-c2nn[n-]n2)c1)C1CCC1 ZINC001571278795 945759629 /nfs/dbraw/zinc/75/96/29/945759629.db2.gz CGKIPJMUHJRYIV-AWEZNQCLSA-N -1 1 387.444 1.571 20 0 GDADMM CC1(C)CC(CC(=O)N2CCO[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001571279604 945782229 /nfs/dbraw/zinc/78/22/29/945782229.db2.gz WPWKVBXTSMHHIC-CYBMUJFWSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CC(CC(=O)N2CCO[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001571279604 945782238 /nfs/dbraw/zinc/78/22/38/945782238.db2.gz WPWKVBXTSMHHIC-CYBMUJFWSA-N -1 1 386.460 1.122 20 0 GDADMM CCC1(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)CCOCC1 ZINC001571279623 945783586 /nfs/dbraw/zinc/78/35/86/945783586.db2.gz WYFSAXVQEBTIHP-CYBMUJFWSA-N -1 1 386.460 1.266 20 0 GDADMM CCC1(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)CCOCC1 ZINC001571279623 945783595 /nfs/dbraw/zinc/78/35/95/945783595.db2.gz WYFSAXVQEBTIHP-CYBMUJFWSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)CC1)[C@@H]1CCCO1 ZINC001571279638 945783879 /nfs/dbraw/zinc/78/38/79/945783879.db2.gz XHBBCQWQBZKBKS-ABHRYQDASA-N -1 1 386.460 1.311 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)CC1)[C@@H]1CCCO1 ZINC001571279638 945783894 /nfs/dbraw/zinc/78/38/94/945783894.db2.gz XHBBCQWQBZKBKS-ABHRYQDASA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@](O)(CC(=O)N1CCC(C)(Nc2nccnc2-c2nnn[n-]2)CC1)C1CC1 ZINC001571279976 945793778 /nfs/dbraw/zinc/79/37/78/945793778.db2.gz YOROFLLGNFCBSP-GOSISDBHSA-N -1 1 386.460 1.001 20 0 GDADMM C[C@@](O)(CC(=O)N1CCC(C)(Nc2nccnc2-c2nn[n-]n2)CC1)C1CC1 ZINC001571279976 945793783 /nfs/dbraw/zinc/79/37/83/945793783.db2.gz YOROFLLGNFCBSP-GOSISDBHSA-N -1 1 386.460 1.001 20 0 GDADMM Cc1nsc(N[C@H]2C[C@H](CNC(=O)c3cnc(C)n3C)C2)c1-c1nn[n-]n1 ZINC001571281195 945799756 /nfs/dbraw/zinc/79/97/56/945799756.db2.gz FDBLLFKPZCQLAG-XYPYZODXSA-N -1 1 387.473 1.294 20 0 GDADMM CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(-c4nn[n-]n4)o3)c2C)C1=O ZINC001573451682 945837840 /nfs/dbraw/zinc/83/78/40/945837840.db2.gz YFLGUKSFNISPDU-UHFFFAOYSA-N -1 1 395.379 1.809 20 0 GDADMM CCn1cc(Cl)cc1C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571283926 945894987 /nfs/dbraw/zinc/89/49/87/945894987.db2.gz LCZRHRDUOZAWTM-LLVKDONJSA-N -1 1 387.835 1.140 20 0 GDADMM CCn1cc(Cl)cc1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571283926 945895002 /nfs/dbraw/zinc/89/50/02/945895002.db2.gz LCZRHRDUOZAWTM-LLVKDONJSA-N -1 1 387.835 1.140 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)O[C@@H]1CCN(C(C)C)C1=O ZINC000822009715 945917012 /nfs/dbraw/zinc/91/70/12/945917012.db2.gz CPROUYMBILOTBD-CYBMUJFWSA-N -1 1 388.428 1.069 20 0 GDADMM O=C(N[C@@H]1[C@H]2CN(c3snc(Cl)c3-c3nnn[n-]3)C[C@H]21)c1ccccc1 ZINC001571285502 945918361 /nfs/dbraw/zinc/91/83/61/945918361.db2.gz GNKXUVVOEPTIHD-IAZYJMLFSA-N -1 1 387.856 1.841 20 0 GDADMM O=C(N[C@@H]1[C@H]2CN(c3snc(Cl)c3-c3nn[n-]n3)C[C@H]21)c1ccccc1 ZINC001571285502 945918373 /nfs/dbraw/zinc/91/83/73/945918373.db2.gz GNKXUVVOEPTIHD-IAZYJMLFSA-N -1 1 387.856 1.841 20 0 GDADMM Cc1nsc(N2CC[C@H](NC(=O)Cc3ccon3)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571289404 946002883 /nfs/dbraw/zinc/00/28/83/946002883.db2.gz BWHVCEYXFLZRBP-KOLCDFICSA-N -1 1 388.457 1.336 20 0 GDADMM CCC(C)(CC)C(=O)N1CCO[C@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571289504 946010589 /nfs/dbraw/zinc/01/05/89/946010589.db2.gz GDPZAOWWRSIFQB-CYBMUJFWSA-N -1 1 388.476 1.431 20 0 GDADMM CCC(C)(CC)C(=O)N1CCO[C@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571289504 946010600 /nfs/dbraw/zinc/01/06/00/946010600.db2.gz GDPZAOWWRSIFQB-CYBMUJFWSA-N -1 1 388.476 1.431 20 0 GDADMM O=C([C@@H]1CC[C@@H](F)C1)N1CCC(CCNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571289581 946012847 /nfs/dbraw/zinc/01/28/47/946012847.db2.gz ICSGFCQFTUKMGX-ZIAGYGMSSA-N -1 1 388.451 1.836 20 0 GDADMM O=C([C@@H]1CC[C@@H](F)C1)N1CCC(CCNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571289581 946012854 /nfs/dbraw/zinc/01/28/54/946012854.db2.gz ICSGFCQFTUKMGX-ZIAGYGMSSA-N -1 1 388.451 1.836 20 0 GDADMM Cc1conc1C(=O)N1CCC[C@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571289692 946014822 /nfs/dbraw/zinc/01/48/22/946014822.db2.gz KJSKXLLWJLGBNE-LLVKDONJSA-N -1 1 388.457 1.892 20 0 GDADMM Cc1nc(C(=O)N[C@@H]2CC[C@@H](CNc3snc(C)c3-c3nn[n-]n3)C2)co1 ZINC001571289746 946017114 /nfs/dbraw/zinc/01/71/14/946017114.db2.gz LSQIWZWAHVRRIC-GHMZBOCLSA-N -1 1 388.457 1.939 20 0 GDADMM CCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCN(C(=O)[C@H](OC)C(C)C)CC1 ZINC001571289808 946017763 /nfs/dbraw/zinc/01/77/63/946017763.db2.gz MZWYMGBMLUXUAT-OAHLLOKOSA-N -1 1 388.476 1.511 20 0 GDADMM CCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCN(C(=O)[C@H](OC)C(C)C)CC1 ZINC001571289808 946017775 /nfs/dbraw/zinc/01/77/75/946017775.db2.gz MZWYMGBMLUXUAT-OAHLLOKOSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H]1CC[C@@H](NC(=O)C2(F)CCCCC2)CN1c1cncc(-c2nnn[n-]2)n1 ZINC001571289977 946026153 /nfs/dbraw/zinc/02/61/53/946026153.db2.gz ROHCRAHCWOMBHT-CHWSQXEVSA-N -1 1 388.451 1.803 20 0 GDADMM C[C@@H]1CC[C@@H](NC(=O)C2(F)CCCCC2)CN1c1cncc(-c2nn[n-]n2)n1 ZINC001571289977 946026161 /nfs/dbraw/zinc/02/61/61/946026161.db2.gz ROHCRAHCWOMBHT-CHWSQXEVSA-N -1 1 388.451 1.803 20 0 GDADMM C[C@H]1CC[C@@H](NC(=O)c2occc2Cl)CN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571290937 946064081 /nfs/dbraw/zinc/06/40/81/946064081.db2.gz UYMYUVLYNQQFPJ-VHSXEESVSA-N -1 1 388.819 1.690 20 0 GDADMM Cc1nsc(N(C)C[C@@H]2CCN(C(=O)CC(F)(F)F)C2)c1-c1nn[n-]n1 ZINC001571291575 946079332 /nfs/dbraw/zinc/07/93/32/946079332.db2.gz LMCFYVWTUCEWBS-VIFPVBQESA-N -1 1 389.407 1.869 20 0 GDADMM Cc1ccc([C@@H](NC(=O)c2coc(-c3nnn[n-]3)c2)[C@@H](C)S(C)(=O)=O)cc1 ZINC001571293224 946098304 /nfs/dbraw/zinc/09/83/04/946098304.db2.gz BPULZQPCCLSVNC-ABAIWWIYSA-N -1 1 389.437 1.672 20 0 GDADMM Cc1ccc([C@@H](NC(=O)c2coc(-c3nn[n-]n3)c2)[C@@H](C)S(C)(=O)=O)cc1 ZINC001571293224 946098312 /nfs/dbraw/zinc/09/83/12/946098312.db2.gz BPULZQPCCLSVNC-ABAIWWIYSA-N -1 1 389.437 1.672 20 0 GDADMM CCOc1nc(C(=O)N(C)C2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)co1 ZINC001571293216 946099214 /nfs/dbraw/zinc/09/92/14/946099214.db2.gz BGLPYDHXMLUMOM-UHFFFAOYSA-N -1 1 389.441 1.271 20 0 GDADMM O=C(N[C@@]12CCC[C@@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2)C1CC(F)(F)C1 ZINC001571294471 946136950 /nfs/dbraw/zinc/13/69/50/946136950.db2.gz IBZYJVZNFXQEAD-MEDUHNTESA-N -1 1 390.398 1.320 20 0 GDADMM Cc1nsc(NCC[C@H]2CCN(C(=O)C3=CCOCC3)C2)c1-c1nn[n-]n1 ZINC001571295010 946151016 /nfs/dbraw/zinc/15/10/16/946151016.db2.gz NJTRRHQYKSYHPA-LBPRGKRZSA-N -1 1 389.485 1.629 20 0 GDADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1)[C@H]1CCC(F)(F)C1 ZINC001571295081 946153179 /nfs/dbraw/zinc/15/31/79/946153179.db2.gz SFIMIFPDFPBTRC-QCNOEVLYSA-N -1 1 390.398 1.318 20 0 GDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)C1CCN(C(=O)N2CCCC2)CC1 ZINC001571295615 946169944 /nfs/dbraw/zinc/16/99/44/946169944.db2.gz ZNBGDJYEWWHWAG-UHFFFAOYSA-N -1 1 389.485 1.472 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N(C)C[C@@H]2CCCCN2C(=O)[C@H](F)CC)n1 ZINC001571298089 946205852 /nfs/dbraw/zinc/20/58/52/946205852.db2.gz JGIPYVCWXUNDRD-QWHCGFSZSA-N -1 1 390.467 1.785 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N(C)C[C@@H]2CCCCN2C(=O)[C@H](F)CC)n1 ZINC001571298089 946205860 /nfs/dbraw/zinc/20/58/60/946205860.db2.gz JGIPYVCWXUNDRD-QWHCGFSZSA-N -1 1 390.467 1.785 20 0 GDADMM Cc1nsc(N2CCCN(C(=O)Cc3cscn3)CC2)c1-c1nn[n-]n1 ZINC001571298232 946212064 /nfs/dbraw/zinc/21/20/64/946212064.db2.gz KOMFWMNLFONBJX-UHFFFAOYSA-N -1 1 390.498 1.370 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCN3c3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001571298580 946221890 /nfs/dbraw/zinc/22/18/90/946221890.db2.gz HFBURAVFKYDNAA-WBVHZDCISA-N -1 1 390.451 1.706 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCN3c3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001571298580 946221904 /nfs/dbraw/zinc/22/19/04/946221904.db2.gz HFBURAVFKYDNAA-WBVHZDCISA-N -1 1 390.451 1.706 20 0 GDADMM Cc1cccc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(c2cncc(-c4nnn[n-]4)n2)C3)c1 ZINC001571298663 946223896 /nfs/dbraw/zinc/22/38/96/946223896.db2.gz IQILHRWFJKHVAC-BPUTZDHNSA-N -1 1 390.451 1.752 20 0 GDADMM Cc1cccc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(c2cncc(-c4nn[n-]n4)n2)C3)c1 ZINC001571298663 946223907 /nfs/dbraw/zinc/22/39/07/946223907.db2.gz IQILHRWFJKHVAC-BPUTZDHNSA-N -1 1 390.451 1.752 20 0 GDADMM O=C(NCC1CCN(c2nccnc2-c2nnn[n-]2)CC1)[C@H]1Cc2ccccc21 ZINC001571298723 946227497 /nfs/dbraw/zinc/22/74/97/946227497.db2.gz PVHBFPFNKWYNOI-INIZCTEOSA-N -1 1 390.451 1.329 20 0 GDADMM O=C(NCC1CCN(c2nccnc2-c2nn[n-]n2)CC1)[C@H]1Cc2ccccc21 ZINC001571298723 946227510 /nfs/dbraw/zinc/22/75/10/946227510.db2.gz PVHBFPFNKWYNOI-INIZCTEOSA-N -1 1 390.451 1.329 20 0 GDADMM O=C(Cc1ccc(Cl)s1)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571299355 946247490 /nfs/dbraw/zinc/24/74/90/946247490.db2.gz LMTVESJEJXHNLI-VIFPVBQESA-N -1 1 390.860 1.309 20 0 GDADMM O=C(Cc1ccc(Cl)s1)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571299355 946247499 /nfs/dbraw/zinc/24/74/99/946247499.db2.gz LMTVESJEJXHNLI-VIFPVBQESA-N -1 1 390.860 1.309 20 0 GDADMM O=C(NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)c1ccsc1Cl ZINC001571300079 946273292 /nfs/dbraw/zinc/27/32/92/946273292.db2.gz UCIAFQCJTZQFPL-VIFPVBQESA-N -1 1 390.860 1.770 20 0 GDADMM O=C(c1ccccn1)N1CC[C@H](CNc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571300206 946276223 /nfs/dbraw/zinc/27/62/23/946276223.db2.gz WWHQJBOHXWNOCH-SECBINFHSA-N -1 1 390.860 1.946 20 0 GDADMM O=C(c1ccccn1)N1CC[C@H](CNc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571300206 946276229 /nfs/dbraw/zinc/27/62/29/946276229.db2.gz WWHQJBOHXWNOCH-SECBINFHSA-N -1 1 390.860 1.946 20 0 GDADMM C[C@@]1(NC(=O)c2ccncc2)CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571300274 946278069 /nfs/dbraw/zinc/27/80/69/946278069.db2.gz YQFNDUQTWJYTCQ-OAHLLOKOSA-N -1 1 390.860 1.770 20 0 GDADMM C[C@@]1(NC(=O)c2ccncc2)CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571300274 946278081 /nfs/dbraw/zinc/27/80/81/946278081.db2.gz YQFNDUQTWJYTCQ-OAHLLOKOSA-N -1 1 390.860 1.770 20 0 GDADMM O=C(c1cccnc1)N1CC[C@]2(C1)CCCN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001571302667 946311326 /nfs/dbraw/zinc/31/13/26/946311326.db2.gz DXYRATHLDUKDFD-LJQANCHMSA-N -1 1 391.439 1.184 20 0 GDADMM O=C(c1cccnc1)N1CC[C@]2(C1)CCCN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001571302667 946311339 /nfs/dbraw/zinc/31/13/39/946311339.db2.gz DXYRATHLDUKDFD-LJQANCHMSA-N -1 1 391.439 1.184 20 0 GDADMM Cc1ccncc1C(=O)NC1CC2(C1)CC(Nc1ccc(-c3nnn[n-]3)nn1)C2 ZINC001571303351 946333476 /nfs/dbraw/zinc/33/34/76/946333476.db2.gz OZADLCJSSNPIID-UHFFFAOYSA-N -1 1 391.439 1.513 20 0 GDADMM Cc1ccncc1C(=O)NC1CC2(C1)CC(Nc1ccc(-c3nn[n-]n3)nn1)C2 ZINC001571303351 946333482 /nfs/dbraw/zinc/33/34/82/946333482.db2.gz OZADLCJSSNPIID-UHFFFAOYSA-N -1 1 391.439 1.513 20 0 GDADMM CN(c1ccnc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)c2cccnc2C2CC2)C1 ZINC001571303676 946345472 /nfs/dbraw/zinc/34/54/72/946345472.db2.gz PADSFYFEGQQJCF-ZDUSSCGKSA-N -1 1 391.439 1.280 20 0 GDADMM Cc1nn(C)c(F)c1C(=O)N[C@H]1C[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571303988 946354497 /nfs/dbraw/zinc/35/44/97/946354497.db2.gz UORCVVRWFUPUDV-DTORHVGOSA-N -1 1 391.436 1.186 20 0 GDADMM Cc1nsc(NC[C@H]2CCCCN2C(=O)[C@@H]2CCCOC2)c1-c1nn[n-]n1 ZINC001571305481 946363523 /nfs/dbraw/zinc/36/35/23/946363523.db2.gz CJIFXANUIMGFKZ-CHWSQXEVSA-N -1 1 391.501 1.851 20 0 GDADMM Cc1nc(Cl)sc1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571305571 946366259 /nfs/dbraw/zinc/36/62/59/946366259.db2.gz FRFDPDKNYASCFU-MRVPVSSYSA-N -1 1 391.848 1.084 20 0 GDADMM O=C(c1cncnc1)N1CCCN(c2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001571306028 946386478 /nfs/dbraw/zinc/38/64/78/946386478.db2.gz OBCNRPVDYFYFDV-UHFFFAOYSA-N -1 1 391.848 1.119 20 0 GDADMM Cc1nsc(N2CCCC[C@@H]2CNC(=O)C2CCOCC2)c1-c1nn[n-]n1 ZINC001571306116 946387659 /nfs/dbraw/zinc/38/76/59/946387659.db2.gz PQQOZUYRJYWBCA-CYBMUJFWSA-N -1 1 391.501 1.533 20 0 GDADMM Cc1nsc(NC[C@@H]2CN(C(=O)[C@H]3CCCCO3)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571306695 946406403 /nfs/dbraw/zinc/40/64/03/946406403.db2.gz ZROQOLINZKVALG-RAIGVLPGSA-N -1 1 391.501 1.707 20 0 GDADMM C[C@H]1CCCN(C(=O)C2CC(F)(F)C2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571307810 946425550 /nfs/dbraw/zinc/42/55/50/946425550.db2.gz HKVKKVQRGRABGF-GWCFXTLKSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@H]1CCCN(C(=O)C2CC(F)(F)C2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571307810 946425555 /nfs/dbraw/zinc/42/55/55/946425555.db2.gz HKVKKVQRGRABGF-GWCFXTLKSA-N -1 1 392.414 1.741 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCC[C@H]2CNC(=O)[C@H]2C[C@@H]2C(F)F)n1 ZINC001571307819 946426593 /nfs/dbraw/zinc/42/65/93/946426593.db2.gz HLFMDBUPXDKDHK-SRVKXCTJSA-N -1 1 392.414 1.341 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCC[C@H]2CNC(=O)[C@H]2C[C@@H]2C(F)F)n1 ZINC001571307819 946426602 /nfs/dbraw/zinc/42/66/02/946426602.db2.gz HLFMDBUPXDKDHK-SRVKXCTJSA-N -1 1 392.414 1.341 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)[C@H]3CCC(F)(F)C3)C2)cc(-c2nnn[n-]2)n1 ZINC001571308103 946431198 /nfs/dbraw/zinc/43/11/98/946431198.db2.gz MRSTVBZDKGXQFN-WDEREUQCSA-N -1 1 392.414 1.667 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)[C@H]3CCC(F)(F)C3)C2)cc(-c2nn[n-]n2)n1 ZINC001571308103 946431205 /nfs/dbraw/zinc/43/12/05/946431205.db2.gz MRSTVBZDKGXQFN-WDEREUQCSA-N -1 1 392.414 1.667 20 0 GDADMM CC[C@@H]1CN(C(=O)C2CC(F)(F)C2)CC[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571308604 946434894 /nfs/dbraw/zinc/43/48/94/946434894.db2.gz SEQLBQULGIYSGP-PWSUYJOCSA-N -1 1 392.414 1.741 20 0 GDADMM CC[C@@H]1CN(C(=O)C2CC(F)(F)C2)CC[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571308604 946434898 /nfs/dbraw/zinc/43/48/98/946434898.db2.gz SEQLBQULGIYSGP-PWSUYJOCSA-N -1 1 392.414 1.741 20 0 GDADMM O=C(C1CCC(F)(F)CC1)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571308562 946436227 /nfs/dbraw/zinc/43/62/27/946436227.db2.gz RBJSHXZZJCHQSI-UHFFFAOYSA-N -1 1 392.414 1.521 20 0 GDADMM O=C(C1CCC(F)(F)CC1)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571308562 946436229 /nfs/dbraw/zinc/43/62/29/946436229.db2.gz RBJSHXZZJCHQSI-UHFFFAOYSA-N -1 1 392.414 1.521 20 0 GDADMM C[C@H]1CCN(C(=O)C2(C(F)F)CC2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571309427 946444216 /nfs/dbraw/zinc/44/42/16/946444216.db2.gz ZQPRPPXOPREMNV-QWRGUYRKSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H]1CCN(C(=O)C2(C(F)F)CC2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571309427 946444222 /nfs/dbraw/zinc/44/42/22/946444222.db2.gz ZQPRPPXOPREMNV-QWRGUYRKSA-N -1 1 392.414 1.599 20 0 GDADMM O=C([C@@H]1CCCC(F)(F)C1)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571309408 946444363 /nfs/dbraw/zinc/44/43/63/946444363.db2.gz ZLHFEIHFBHHGTL-NEPJUHHUSA-N -1 1 392.414 1.885 20 0 GDADMM O=C([C@@H]1CCCC(F)(F)C1)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571309408 946444371 /nfs/dbraw/zinc/44/43/71/946444371.db2.gz ZLHFEIHFBHHGTL-NEPJUHHUSA-N -1 1 392.414 1.885 20 0 GDADMM O=C(CC1CC(F)(F)C1)N1CCC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571309565 946448610 /nfs/dbraw/zinc/44/86/10/946448610.db2.gz DICWJCXLIUGNSY-NSHDSACASA-N -1 1 392.414 1.165 20 0 GDADMM O=C(c1cncnc1C1CC1)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571310852 946479824 /nfs/dbraw/zinc/47/98/24/946479824.db2.gz ODNFUAQXBFHGTI-GFCCVEGCSA-N -1 1 392.427 1.041 20 0 GDADMM O=C(c1cncnc1C1CC1)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571310852 946479829 /nfs/dbraw/zinc/47/98/29/946479829.db2.gz ODNFUAQXBFHGTI-GFCCVEGCSA-N -1 1 392.427 1.041 20 0 GDADMM C[C@@H](Cc1ccccc1)C(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571312692 946497956 /nfs/dbraw/zinc/49/79/56/946497956.db2.gz AMEBKQWKQLMCLY-SQWLQELKSA-N -1 1 392.467 1.794 20 0 GDADMM C[C@@H](Cc1ccccc1)C(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571312692 946497963 /nfs/dbraw/zinc/49/79/63/946497963.db2.gz AMEBKQWKQLMCLY-SQWLQELKSA-N -1 1 392.467 1.794 20 0 GDADMM CCc1ccc(C(=O)NC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C)cc1 ZINC001571312927 946504603 /nfs/dbraw/zinc/50/46/03/946504603.db2.gz FTOVOCLCBDGQEQ-CZUORRHYSA-N -1 1 392.467 1.721 20 0 GDADMM CCc1ccc(C(=O)NC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C)cc1 ZINC001571312927 946504618 /nfs/dbraw/zinc/50/46/18/946504618.db2.gz FTOVOCLCBDGQEQ-CZUORRHYSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@@H]1CN(C(=O)Cc2ccccc2)C[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001571312976 946508421 /nfs/dbraw/zinc/50/84/21/946508421.db2.gz GOUILCKEJAUBGP-GDBMZVCRSA-N -1 1 392.467 1.796 20 0 GDADMM C[C@@H]1CN(C(=O)Cc2ccccc2)C[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001571312976 946508431 /nfs/dbraw/zinc/50/84/31/946508431.db2.gz GOUILCKEJAUBGP-GDBMZVCRSA-N -1 1 392.467 1.796 20 0 GDADMM CCc1ccccc1CC(=O)N(C)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571313795 946532284 /nfs/dbraw/zinc/53/22/84/946532284.db2.gz WLAGADWRXWYUQT-INIZCTEOSA-N -1 1 392.467 1.499 20 0 GDADMM CCc1ccccc1CC(=O)N(C)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571313795 946532286 /nfs/dbraw/zinc/53/22/86/946532286.db2.gz WLAGADWRXWYUQT-INIZCTEOSA-N -1 1 392.467 1.499 20 0 GDADMM CCc1ccccc1CC(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571313796 946533162 /nfs/dbraw/zinc/53/31/62/946533162.db2.gz WLAGADWRXWYUQT-MRXNPFEDSA-N -1 1 392.467 1.499 20 0 GDADMM CCc1ccccc1CC(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571313796 946533168 /nfs/dbraw/zinc/53/31/68/946533168.db2.gz WLAGADWRXWYUQT-MRXNPFEDSA-N -1 1 392.467 1.499 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCN(C(=O)c3c(C)cccc3C)CC2)n1 ZINC001571315133 946547415 /nfs/dbraw/zinc/54/74/15/946547415.db2.gz GLQSZXORHTWATB-UHFFFAOYSA-N -1 1 392.467 1.934 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCN(C(=O)c3c(C)cccc3C)CC2)n1 ZINC001571315133 946547424 /nfs/dbraw/zinc/54/74/24/946547424.db2.gz GLQSZXORHTWATB-UHFFFAOYSA-N -1 1 392.467 1.934 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NCC[C@H]2CCN(C(=O)C3C=CC=CC=C3)C2)n1 ZINC001571315793 946558232 /nfs/dbraw/zinc/55/82/32/946558232.db2.gz ODZNXHWTHZSQRG-HNNXBMFYSA-N -1 1 392.467 1.914 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NCC[C@H]2CCN(C(=O)C3C=CC=CC=C3)C2)n1 ZINC001571315793 946558241 /nfs/dbraw/zinc/55/82/41/946558241.db2.gz ODZNXHWTHZSQRG-HNNXBMFYSA-N -1 1 392.467 1.914 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CCCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)c(C)c1 ZINC001571316065 946563860 /nfs/dbraw/zinc/56/38/60/946563860.db2.gz SXDCDADXXLOUCQ-OAHLLOKOSA-N -1 1 392.467 1.981 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CCCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)c(C)c1 ZINC001571316065 946563869 /nfs/dbraw/zinc/56/38/69/946563869.db2.gz SXDCDADXXLOUCQ-OAHLLOKOSA-N -1 1 392.467 1.981 20 0 GDADMM Cc1cccc(CC(=O)N[C@H]2CC[C@@H](C)N(c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571316927 946592072 /nfs/dbraw/zinc/59/20/72/946592072.db2.gz QBZGSYXGQQTIGM-ZBFHGGJFSA-N -1 1 392.467 1.681 20 0 GDADMM Cc1cccc(CC(=O)N[C@H]2CC[C@@H](C)N(c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571316927 946592077 /nfs/dbraw/zinc/59/20/77/946592077.db2.gz QBZGSYXGQQTIGM-ZBFHGGJFSA-N -1 1 392.467 1.681 20 0 GDADMM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1snc(Cl)c1-c1nnn[n-]1)c1cnco1 ZINC001571317339 946606364 /nfs/dbraw/zinc/60/63/64/946606364.db2.gz DGVIOPPAVMOGRB-CSMHCCOUSA-N -1 1 392.832 1.504 20 0 GDADMM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1snc(Cl)c1-c1nn[n-]n1)c1cnco1 ZINC001571317339 946606374 /nfs/dbraw/zinc/60/63/74/946606374.db2.gz DGVIOPPAVMOGRB-CSMHCCOUSA-N -1 1 392.832 1.504 20 0 GDADMM O=C(N[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1)c1ccc(=O)[nH]c1 ZINC001571317320 946606831 /nfs/dbraw/zinc/60/68/31/946606831.db2.gz CLNUTXFYBSIOBD-QMMMGPOBSA-N -1 1 392.832 1.086 20 0 GDADMM O=C(N[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1)c1ccc(=O)[nH]c1 ZINC001571317320 946606834 /nfs/dbraw/zinc/60/68/34/946606834.db2.gz CLNUTXFYBSIOBD-QMMMGPOBSA-N -1 1 392.832 1.086 20 0 GDADMM Cc1cc[nH]c1C(=O)NC[C@@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571317646 946616436 /nfs/dbraw/zinc/61/64/36/946616436.db2.gz PIMZLYBFAPEZKI-VIFPVBQESA-N -1 1 392.876 1.869 20 0 GDADMM Cc1cc[nH]c1C(=O)NC[C@@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571317646 946616445 /nfs/dbraw/zinc/61/64/45/946616445.db2.gz PIMZLYBFAPEZKI-VIFPVBQESA-N -1 1 392.876 1.869 20 0 GDADMM C[C@@H]1CN(C(=O)Cc2ccc[nH]2)C[C@@H]1Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001571317934 946623720 /nfs/dbraw/zinc/62/37/20/946623720.db2.gz ZFJHXKVVYBKOPS-SCZZXKLOSA-N -1 1 392.876 1.806 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1)n1cccc1 ZINC001571317924 946624471 /nfs/dbraw/zinc/62/44/71/946624471.db2.gz YTZKRRGSWMLXIL-UWVGGRQHSA-N -1 1 392.876 1.734 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1)n1cccc1 ZINC001571317924 946624477 /nfs/dbraw/zinc/62/44/77/946624477.db2.gz YTZKRRGSWMLXIL-UWVGGRQHSA-N -1 1 392.876 1.734 20 0 GDADMM CC(=O)N[C@@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)CC[C@@H]1c1ccccc1 ZINC001573537947 946760414 /nfs/dbraw/zinc/76/04/14/946760414.db2.gz NWAHFVDGPUOQPP-NVXWUHKLSA-N -1 1 378.440 1.464 20 0 GDADMM CC(=O)N[C@@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)CC[C@@H]1c1ccccc1 ZINC001573537947 946760423 /nfs/dbraw/zinc/76/04/23/946760423.db2.gz NWAHFVDGPUOQPP-NVXWUHKLSA-N -1 1 378.440 1.464 20 0 GDADMM C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001573296607 947048520 /nfs/dbraw/zinc/04/85/20/947048520.db2.gz TWFHLSZSZFFYPM-JTQLQIEISA-N -1 1 381.421 1.455 20 0 GDADMM C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001573296607 947048531 /nfs/dbraw/zinc/04/85/31/947048531.db2.gz TWFHLSZSZFFYPM-JTQLQIEISA-N -1 1 381.421 1.455 20 0 GDADMM CCN1C[C@@H](CN(C)C(=O)Cc2noc(C)c2-c2nnn[n-]2)Oc2ccccc21 ZINC000825452118 947194680 /nfs/dbraw/zinc/19/46/80/947194680.db2.gz NRIUCKQVGSTACO-CYBMUJFWSA-N -1 1 397.439 1.452 20 0 GDADMM CCN1C[C@@H](CN(C)C(=O)Cc2noc(C)c2-c2nn[n-]n2)Oc2ccccc21 ZINC000825452118 947194690 /nfs/dbraw/zinc/19/46/90/947194690.db2.gz NRIUCKQVGSTACO-CYBMUJFWSA-N -1 1 397.439 1.452 20 0 GDADMM CCOC(=O)C=Cc1ccc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)cc1 ZINC000825499624 947208740 /nfs/dbraw/zinc/20/87/40/947208740.db2.gz PHTMWIUMRAKZSL-TWGQIWQCSA-N -1 1 382.380 1.921 20 0 GDADMM CCOC(=O)C=Cc1ccc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)cc1 ZINC000825499624 947208749 /nfs/dbraw/zinc/20/87/49/947208749.db2.gz PHTMWIUMRAKZSL-TWGQIWQCSA-N -1 1 382.380 1.921 20 0 GDADMM CCOC(=O)c1cnn(Cc2nc(Cc3ccccc3C)no2)c1-c1nn[n-]n1 ZINC000825569882 947229328 /nfs/dbraw/zinc/22/93/28/947229328.db2.gz BVACYZHTTFHKIN-UHFFFAOYSA-N -1 1 394.395 1.570 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H](C)c1cccc(F)c1 ZINC001573586753 947294319 /nfs/dbraw/zinc/29/43/19/947294319.db2.gz SHOUAHDRWFCLGF-VXGBXAGGSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H](C)c1cccc(F)c1 ZINC001573586753 947294327 /nfs/dbraw/zinc/29/43/27/947294327.db2.gz SHOUAHDRWFCLGF-VXGBXAGGSA-N -1 1 384.419 1.858 20 0 GDADMM C=C/C(C)=C/CC(=O)NC[C@@H]1CCCCN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573319143 947326334 /nfs/dbraw/zinc/32/63/34/947326334.db2.gz UVYPYEGULMLAIC-NRUITVPNSA-N -1 1 382.472 1.963 20 0 GDADMM C=C/C(C)=C/CC(=O)NC[C@@H]1CCCCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573319143 947326349 /nfs/dbraw/zinc/32/63/49/947326349.db2.gz UVYPYEGULMLAIC-NRUITVPNSA-N -1 1 382.472 1.963 20 0 GDADMM C[C@@H](C(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1)[C@H]1CCCO1 ZINC001573592046 947326766 /nfs/dbraw/zinc/32/67/66/947326766.db2.gz IHDZOVLIEJLXEG-BXUZGUMPSA-N -1 1 376.486 1.386 20 0 GDADMM C[C@@H](C(=O)N(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)C1CCCC1 ZINC001573593008 947358082 /nfs/dbraw/zinc/35/80/82/947358082.db2.gz HNIXWFRLTWDXMY-IUODEOHRSA-N -1 1 384.488 1.554 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC000825923719 947371390 /nfs/dbraw/zinc/37/13/90/947371390.db2.gz SOVFZCCAKDSAOZ-VLIAUNLRSA-N -1 1 392.467 1.467 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC000825923719 947371406 /nfs/dbraw/zinc/37/14/06/947371406.db2.gz SOVFZCCAKDSAOZ-VLIAUNLRSA-N -1 1 392.467 1.467 20 0 GDADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1cncc(-c2nnn[n-]2)n1)c1ccco1 ZINC001573594487 947399603 /nfs/dbraw/zinc/39/96/03/947399603.db2.gz ZTPXHGCRKHZLSR-GFCCVEGCSA-N -1 1 384.444 1.950 20 0 GDADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1cncc(-c2nn[n-]n2)n1)c1ccco1 ZINC001573594487 947399615 /nfs/dbraw/zinc/39/96/15/947399615.db2.gz ZTPXHGCRKHZLSR-GFCCVEGCSA-N -1 1 384.444 1.950 20 0 GDADMM COC(=O)[C@H](CNC(=O)Cc1noc(C)c1-c1nnn[n-]1)Cc1cccc(C)c1 ZINC000826102947 947427789 /nfs/dbraw/zinc/42/77/89/947427789.db2.gz BCUDWSWFFFHSOS-AWEZNQCLSA-N -1 1 398.423 1.162 20 0 GDADMM COC(=O)[C@H](CNC(=O)Cc1noc(C)c1-c1nn[n-]n1)Cc1cccc(C)c1 ZINC000826102947 947427797 /nfs/dbraw/zinc/42/77/97/947427797.db2.gz BCUDWSWFFFHSOS-AWEZNQCLSA-N -1 1 398.423 1.162 20 0 GDADMM COC(=O)[C@H]1CCCCCC[C@H]1NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000826133103 947446109 /nfs/dbraw/zinc/44/61/09/947446109.db2.gz JWHZHQKCDDWMHX-NWDGAFQWSA-N -1 1 376.417 1.334 20 0 GDADMM COC(=O)[C@H]1CCCCCC[C@H]1NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000826133103 947446116 /nfs/dbraw/zinc/44/61/16/947446116.db2.gz JWHZHQKCDDWMHX-NWDGAFQWSA-N -1 1 376.417 1.334 20 0 GDADMM C[C@H](C(=O)N(C)CCNc1ccnc(-c2nn[n-]n2)n1)c1c(F)cccc1F ZINC001573602900 947473104 /nfs/dbraw/zinc/47/31/04/947473104.db2.gz BHJNCXHGLMRGDR-JTQLQIEISA-N -1 1 388.382 1.031 20 0 GDADMM C[C@H](C(=O)N(C)c1nc2c(cccc2Cl)s1)n1cnc(-c2nn[n-]n2)n1 ZINC001573602950 947475545 /nfs/dbraw/zinc/47/55/45/947475545.db2.gz CMZMTBCMUBANQC-SSDOTTSWSA-N -1 1 389.832 1.945 20 0 GDADMM C[C@@H](C(=O)N(C)CCNc1nc(-c2nn[n-]n2)c(Cl)s1)n1cccc1 ZINC001573604508 947513292 /nfs/dbraw/zinc/51/32/92/947513292.db2.gz ODZGLMBSXKHPQB-VIFPVBQESA-N -1 1 380.865 1.910 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC001573613805 947571505 /nfs/dbraw/zinc/57/15/05/947571505.db2.gz JGEAUYGRMPCPBG-UPJWGTAASA-N -1 1 380.412 1.233 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC001573613805 947571509 /nfs/dbraw/zinc/57/15/09/947571509.db2.gz JGEAUYGRMPCPBG-UPJWGTAASA-N -1 1 380.412 1.233 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C(C)(C)C1)C(C)(F)F ZINC001573614578 947587869 /nfs/dbraw/zinc/58/78/69/947587869.db2.gz MYJMGCAYYPZRCK-GXSJLCMTSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C(C)(C)C1)C(C)(F)F ZINC001573614578 947587878 /nfs/dbraw/zinc/58/78/78/947587878.db2.gz MYJMGCAYYPZRCK-GXSJLCMTSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@@H](C(=O)N1CCC(CCN(C)c2cncc(-c3nnn[n-]3)n2)CC1)C1CC1 ZINC001573614791 947593419 /nfs/dbraw/zinc/59/34/19/947593419.db2.gz HHHRIXWXPHVXLC-CYBMUJFWSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](C(=O)N1CCC(CCN(C)c2cncc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001573614791 947593424 /nfs/dbraw/zinc/59/34/24/947593424.db2.gz HHHRIXWXPHVXLC-CYBMUJFWSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573614812 947594331 /nfs/dbraw/zinc/59/43/31/947594331.db2.gz HMYIRTINTTZTKU-NWDGAFQWSA-N -1 1 384.469 1.204 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001573615770 947610433 /nfs/dbraw/zinc/61/04/33/947610433.db2.gz KLIFDSCHOZWMMD-CHWSQXEVSA-N -1 1 382.428 1.126 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@H](N(C)c3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001573351720 947619756 /nfs/dbraw/zinc/61/97/56/947619756.db2.gz PKTABYSEQDOXOA-HNNXBMFYSA-N -1 1 376.424 1.651 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@H](N(C)c3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001573351720 947619763 /nfs/dbraw/zinc/61/97/63/947619763.db2.gz PKTABYSEQDOXOA-HNNXBMFYSA-N -1 1 376.424 1.651 20 0 GDADMM C[C@H](C(=O)N1CCC(CNc2cnc(-c3nnn[n-]3)cn2)CC1)C(F)(F)F ZINC001573616426 947620553 /nfs/dbraw/zinc/62/05/53/947620553.db2.gz IMGCLMHFPCXIPL-SECBINFHSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@H](C(=O)N1CCC(CNc2cnc(-c3nn[n-]n3)cn2)CC1)C(F)(F)F ZINC001573616426 947620563 /nfs/dbraw/zinc/62/05/63/947620563.db2.gz IMGCLMHFPCXIPL-SECBINFHSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@H](C(=O)N1CCC(CN(C)c2cncc(-c3nnn[n-]3)n2)CC1)C1CCC1 ZINC001573616661 947624892 /nfs/dbraw/zinc/62/48/92/947624892.db2.gz MTGDRWQOHCXBFJ-ZDUSSCGKSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](C(=O)N1CCC(CN(C)c2cncc(-c3nn[n-]n3)n2)CC1)C1CCC1 ZINC001573616661 947624898 /nfs/dbraw/zinc/62/48/98/947624898.db2.gz MTGDRWQOHCXBFJ-ZDUSSCGKSA-N -1 1 384.488 1.768 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@@H]([C@@H](C)Nc3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573352129 947624941 /nfs/dbraw/zinc/62/49/41/947624941.db2.gz VXJLMDDTNGZZJT-CZUORRHYSA-N -1 1 390.451 1.684 20 0 GDADMM COc1cccc(N2CC[C@H](NC(=O)Cc3noc(C)c3-c3nnn[n-]3)C2)c1 ZINC000826217073 947637752 /nfs/dbraw/zinc/63/77/52/947637752.db2.gz XYTMSCASXYXICR-LBPRGKRZSA-N -1 1 383.412 1.109 20 0 GDADMM COc1cccc(N2CC[C@H](NC(=O)Cc3noc(C)c3-c3nn[n-]n3)C2)c1 ZINC000826217073 947637759 /nfs/dbraw/zinc/63/77/59/947637759.db2.gz XYTMSCASXYXICR-LBPRGKRZSA-N -1 1 383.412 1.109 20 0 GDADMM C=Cc1ccc(C(=O)N[C@]2(C)CCN(c3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001573355342 947640807 /nfs/dbraw/zinc/64/08/07/947640807.db2.gz OCSKFDNQUQXBAM-LJQANCHMSA-N -1 1 376.424 1.699 20 0 GDADMM C=Cc1ccc(C(=O)N[C@]2(C)CCN(c3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001573355342 947640811 /nfs/dbraw/zinc/64/08/11/947640811.db2.gz OCSKFDNQUQXBAM-LJQANCHMSA-N -1 1 376.424 1.699 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573355849 947644929 /nfs/dbraw/zinc/64/49/29/947644929.db2.gz QWAHPIFQPWRLSB-AWEZNQCLSA-N -1 1 376.424 1.556 20 0 GDADMM C[C@H](C(=O)N1CCC(CCN(C)c2nccnc2-c2nnn[n-]2)CC1)C1CC1 ZINC001573618898 947658500 /nfs/dbraw/zinc/65/85/00/947658500.db2.gz SSLQDPLBHPIUCH-ZDUSSCGKSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](C(=O)N1CCC(CCN(C)c2nccnc2-c2nn[n-]n2)CC1)C1CC1 ZINC001573618898 947658507 /nfs/dbraw/zinc/65/85/07/947658507.db2.gz SSLQDPLBHPIUCH-ZDUSSCGKSA-N -1 1 384.488 1.768 20 0 GDADMM C/C(=C/C(=O)N[C@@H]1[C@H]2CN(c3nc(-c4nn[n-]n4)c(Cl)s3)C[C@H]21)C1CC1 ZINC001573361615 947693717 /nfs/dbraw/zinc/69/37/17/947693717.db2.gz CMKIZTFMMITDML-PRTVGRRQSA-N -1 1 391.888 1.884 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)c1cccs1 ZINC001573627429 947721459 /nfs/dbraw/zinc/72/14/59/947721459.db2.gz BFDAGXRWHPPTRL-NWDGAFQWSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)c1cccs1 ZINC001573627429 947721465 /nfs/dbraw/zinc/72/14/65/947721465.db2.gz BFDAGXRWHPPTRL-NWDGAFQWSA-N -1 1 384.469 1.925 20 0 GDADMM CC(=O)CCCC(=O)N(C)[C@H](C)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573365638 947731366 /nfs/dbraw/zinc/73/13/66/947731366.db2.gz MXCWNEZHXQSLNK-MRVPVSSYSA-N -1 1 385.881 1.995 20 0 GDADMM CC(=O)CCCC(=O)N(C)[C@H](C)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573365638 947731374 /nfs/dbraw/zinc/73/13/74/947731374.db2.gz MXCWNEZHXQSLNK-MRVPVSSYSA-N -1 1 385.881 1.995 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001573628320 947753962 /nfs/dbraw/zinc/75/39/62/947753962.db2.gz KTBVCJGSJNKIAM-MNOVXSKESA-N -1 1 380.403 1.163 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@](C)(CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573367382 947759273 /nfs/dbraw/zinc/75/92/73/947759273.db2.gz CGVHTDJFYLZXBW-GOSISDBHSA-N -1 1 386.460 1.375 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@](C)(CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573367382 947759278 /nfs/dbraw/zinc/75/92/78/947759278.db2.gz CGVHTDJFYLZXBW-GOSISDBHSA-N -1 1 386.460 1.375 20 0 GDADMM Cc1cc(C)n([C@@H](C)CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)n1 ZINC000826265426 947766224 /nfs/dbraw/zinc/76/62/24/947766224.db2.gz YPJCAFQWKAFJBW-LBPRGKRZSA-N -1 1 386.464 1.028 20 0 GDADMM Cc1cc(C)n([C@@H](C)CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)n1 ZINC000826265426 947766230 /nfs/dbraw/zinc/76/62/30/947766230.db2.gz YPJCAFQWKAFJBW-LBPRGKRZSA-N -1 1 386.464 1.028 20 0 GDADMM CC(C(=O)N1CCC[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1)=C1CCC1 ZINC001573629311 947778234 /nfs/dbraw/zinc/77/82/34/947778234.db2.gz NXZNEXLOHUVYMD-CQSZACIVSA-N -1 1 382.472 1.620 20 0 GDADMM CC(=O)CCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001573373409 947793432 /nfs/dbraw/zinc/79/34/32/947793432.db2.gz CFOGMGLXLBHNLX-AGUYFDCRSA-N -1 1 384.444 1.032 20 0 GDADMM CC(=O)CCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001573373409 947793439 /nfs/dbraw/zinc/79/34/39/947793439.db2.gz CFOGMGLXLBHNLX-AGUYFDCRSA-N -1 1 384.444 1.032 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CCCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573373857 947799195 /nfs/dbraw/zinc/79/91/95/947799195.db2.gz GNIKZFPSRJQIAZ-KGLIPLIRSA-N -1 1 386.460 1.503 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CCCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573373857 947799202 /nfs/dbraw/zinc/79/92/02/947799202.db2.gz GNIKZFPSRJQIAZ-KGLIPLIRSA-N -1 1 386.460 1.503 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@](CO)(Nc2nccnc2-c2nnn[n-]2)C1)C(C)(C)C ZINC001573631359 947799949 /nfs/dbraw/zinc/79/99/49/947799949.db2.gz UTBQOYCEZPJZEJ-SGTLLEGYSA-N -1 1 388.476 1.104 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@](CO)(Nc2nccnc2-c2nn[n-]n2)C1)C(C)(C)C ZINC001573631359 947799963 /nfs/dbraw/zinc/79/99/63/947799963.db2.gz UTBQOYCEZPJZEJ-SGTLLEGYSA-N -1 1 388.476 1.104 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1 ZINC001573373756 947800537 /nfs/dbraw/zinc/80/05/37/947800537.db2.gz LHBCYWHMLOWXET-OCCSQVGLSA-N -1 1 386.460 1.313 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1 ZINC001573373756 947800543 /nfs/dbraw/zinc/80/05/43/947800543.db2.gz LHBCYWHMLOWXET-OCCSQVGLSA-N -1 1 386.460 1.313 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001573373997 947802097 /nfs/dbraw/zinc/80/20/97/947802097.db2.gz LOZWFHWOUCZDHN-RISCZKNCSA-N -1 1 386.460 1.373 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001573373997 947802105 /nfs/dbraw/zinc/80/21/05/947802105.db2.gz LOZWFHWOUCZDHN-RISCZKNCSA-N -1 1 386.460 1.373 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CCC[C@H]1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573375862 947828291 /nfs/dbraw/zinc/82/82/91/947828291.db2.gz QUTQZUKTLRCARS-UONOGXRCSA-N -1 1 386.460 1.421 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CCC[C@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573375862 947828296 /nfs/dbraw/zinc/82/82/96/947828296.db2.gz QUTQZUKTLRCARS-UONOGXRCSA-N -1 1 386.460 1.421 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@@H](C)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573376124 947829424 /nfs/dbraw/zinc/82/94/24/947829424.db2.gz WWMUIHBWIBDUKW-IUODEOHRSA-N -1 1 386.460 1.455 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@@H](C)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573376124 947829434 /nfs/dbraw/zinc/82/94/34/947829434.db2.gz WWMUIHBWIBDUKW-IUODEOHRSA-N -1 1 386.460 1.455 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ccsc1 ZINC001573638042 947831169 /nfs/dbraw/zinc/83/11/69/947831169.db2.gz ZKTCLHJNYNQWCO-DGCLKSJQSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ccsc1 ZINC001573638042 947831181 /nfs/dbraw/zinc/83/11/81/947831181.db2.gz ZKTCLHJNYNQWCO-DGCLKSJQSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)C(C)(F)F ZINC001573638146 947834444 /nfs/dbraw/zinc/83/44/44/947834444.db2.gz GQZWQXLCTHJJTB-NTZNESFSSA-N -1 1 392.414 1.375 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)C(C)(F)F ZINC001573638146 947834451 /nfs/dbraw/zinc/83/44/51/947834451.db2.gz GQZWQXLCTHJJTB-NTZNESFSSA-N -1 1 392.414 1.375 20 0 GDADMM Cc1onc(CC(=O)NCc2ccc(C)cc2O[C@@H]2CCOC2)c1-c1nnn[n-]1 ZINC000826287827 947834414 /nfs/dbraw/zinc/83/44/14/947834414.db2.gz FPNCJDFDEFZZQQ-CQSZACIVSA-N -1 1 398.423 1.498 20 0 GDADMM Cc1onc(CC(=O)NCc2ccc(C)cc2O[C@@H]2CCOC2)c1-c1nn[n-]n1 ZINC000826287827 947834425 /nfs/dbraw/zinc/83/44/25/947834425.db2.gz FPNCJDFDEFZZQQ-CQSZACIVSA-N -1 1 398.423 1.498 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)C(C)(F)F ZINC001573638833 947843380 /nfs/dbraw/zinc/84/33/80/947843380.db2.gz WUKDGJSHPHXVKU-SDDRHHMPSA-N -1 1 392.414 1.375 20 0 GDADMM CC(C(=O)N1CCO[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)=C1CCCC1 ZINC001573639731 947848048 /nfs/dbraw/zinc/84/80/48/947848048.db2.gz BUKDQWDRLRXXIT-AWEZNQCLSA-N -1 1 384.444 1.187 20 0 GDADMM CC(C(=O)N1CCO[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)=C1CCCC1 ZINC001573639731 947848052 /nfs/dbraw/zinc/84/80/52/947848052.db2.gz BUKDQWDRLRXXIT-AWEZNQCLSA-N -1 1 384.444 1.187 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H](C)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573377739 947852316 /nfs/dbraw/zinc/85/23/16/947852316.db2.gz SIGPEIPDMSODJB-KBPBESRZSA-N -1 1 386.460 1.137 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H](C)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573377739 947852322 /nfs/dbraw/zinc/85/23/22/947852322.db2.gz SIGPEIPDMSODJB-KBPBESRZSA-N -1 1 386.460 1.137 20 0 GDADMM CC(=O)CCCC(=O)N[C@H](C)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573378294 947854235 /nfs/dbraw/zinc/85/42/35/947854235.db2.gz YHVQGVZDAHOAFW-ZIAGYGMSSA-N -1 1 386.460 1.137 20 0 GDADMM CC(=O)CCCC(=O)NC[C@@H](C)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001573380993 947868611 /nfs/dbraw/zinc/86/86/11/947868611.db2.gz MPBWOKORIWVLTN-MRVPVSSYSA-N -1 1 385.881 1.677 20 0 GDADMM CC(=O)CCCC(=O)NC[C@@H](C)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001573380993 947868615 /nfs/dbraw/zinc/86/86/15/947868615.db2.gz MPBWOKORIWVLTN-MRVPVSSYSA-N -1 1 385.881 1.677 20 0 GDADMM CC(=O)CCCC(=O)NC[C@H](C)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573381135 947868831 /nfs/dbraw/zinc/86/88/31/947868831.db2.gz OLCLJSICCDMKHY-QMMMGPOBSA-N -1 1 385.881 1.677 20 0 GDADMM CC(=O)CCCC(=O)NC[C@H](C)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573381135 947868837 /nfs/dbraw/zinc/86/88/37/947868837.db2.gz OLCLJSICCDMKHY-QMMMGPOBSA-N -1 1 385.881 1.677 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1F ZINC001573645953 947871576 /nfs/dbraw/zinc/87/15/76/947871576.db2.gz DYLQCKRRMDLYLA-RYUDHWBXSA-N -1 1 382.403 1.612 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1F ZINC001573645953 947871581 /nfs/dbraw/zinc/87/15/81/947871581.db2.gz DYLQCKRRMDLYLA-RYUDHWBXSA-N -1 1 382.403 1.612 20 0 GDADMM CC(=O)CCCC(=O)NCCC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573383439 947889424 /nfs/dbraw/zinc/88/94/24/947889424.db2.gz QHFWGZYWMSXBQW-UHFFFAOYSA-N -1 1 386.460 1.139 20 0 GDADMM CC(=O)CCCC(=O)NCCC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573383439 947889428 /nfs/dbraw/zinc/88/94/28/947889428.db2.gz QHFWGZYWMSXBQW-UHFFFAOYSA-N -1 1 386.460 1.139 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C(C)(C)C)n1cccc1 ZINC001573652650 947944830 /nfs/dbraw/zinc/94/48/30/947944830.db2.gz FTSBWTOBDXGROP-OCCSQVGLSA-N -1 1 383.460 1.662 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C(C)(C)C)n1cccc1 ZINC001573652650 947944840 /nfs/dbraw/zinc/94/48/40/947944840.db2.gz FTSBWTOBDXGROP-OCCSQVGLSA-N -1 1 383.460 1.662 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)c1ccsc1 ZINC001573653961 947962051 /nfs/dbraw/zinc/96/20/51/947962051.db2.gz OSVWREFUVBTFJW-YGRLFVJLSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)c1ccsc1 ZINC001573653961 947962056 /nfs/dbraw/zinc/96/20/56/947962056.db2.gz OSVWREFUVBTFJW-YGRLFVJLSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1cccs1 ZINC001573654283 947966367 /nfs/dbraw/zinc/96/63/67/947966367.db2.gz QLTRYQOZMPGFDZ-JQWIXIFHSA-N -1 1 384.469 1.251 20 0 GDADMM C[C@H](C(=O)NC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)n1cccc1 ZINC001573655993 947983557 /nfs/dbraw/zinc/98/35/57/947983557.db2.gz BBJBFBMUIVRYSP-CYBMUJFWSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](C(=O)NC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)n1cccc1 ZINC001573655993 947983562 /nfs/dbraw/zinc/98/35/62/947983562.db2.gz BBJBFBMUIVRYSP-CYBMUJFWSA-N -1 1 381.444 1.195 20 0 GDADMM Cc1onc(CC(=O)N2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)c1-c1nnn[n-]1 ZINC000826343821 947997323 /nfs/dbraw/zinc/99/73/23/947997323.db2.gz OAESJJYDGQYVBL-IINYFYTJSA-N -1 1 390.350 1.318 20 0 GDADMM Cc1onc(CC(=O)N2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)c1-c1nn[n-]n1 ZINC000826343821 947997328 /nfs/dbraw/zinc/99/73/28/947997328.db2.gz OAESJJYDGQYVBL-IINYFYTJSA-N -1 1 390.350 1.318 20 0 GDADMM C[C@@H](C(=O)NC1(C)CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C(C)(F)F ZINC001573657326 947998492 /nfs/dbraw/zinc/99/84/92/947998492.db2.gz LXFLPZLBGBBVKB-JTQLQIEISA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](C(=O)NC1(C)CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C(C)(F)F ZINC001573657326 947998498 /nfs/dbraw/zinc/99/84/98/947998498.db2.gz LXFLPZLBGBBVKB-JTQLQIEISA-N -1 1 380.403 1.423 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)c1-c1nnn[n-]1 ZINC000826344250 948005229 /nfs/dbraw/zinc/00/52/29/948005229.db2.gz BKZFYEUNCNGIPG-WCQYABFASA-N -1 1 388.453 1.882 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)c1-c1nn[n-]n1 ZINC000826344250 948005239 /nfs/dbraw/zinc/00/52/39/948005239.db2.gz BKZFYEUNCNGIPG-WCQYABFASA-N -1 1 388.453 1.882 20 0 GDADMM Cc1onc(CC(=O)N2CCCC[C@@H]2c2noc(C3CC3)n2)c1-c1nnn[n-]1 ZINC000826344380 948007818 /nfs/dbraw/zinc/00/78/18/948007818.db2.gz GKLMTVQVZWGPRG-GFCCVEGCSA-N -1 1 384.400 1.720 20 0 GDADMM Cc1onc(CC(=O)N2CCCC[C@@H]2c2noc(C3CC3)n2)c1-c1nn[n-]n1 ZINC000826344380 948007826 /nfs/dbraw/zinc/00/78/26/948007826.db2.gz GKLMTVQVZWGPRG-GFCCVEGCSA-N -1 1 384.400 1.720 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@@H](c3noc(C4CC4)n3)C2)c1-c1nnn[n-]1 ZINC000826344533 948009096 /nfs/dbraw/zinc/00/90/96/948009096.db2.gz KLQUMGRHPDHEBH-LLVKDONJSA-N -1 1 384.400 1.372 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@@H](c3noc(C4CC4)n3)C2)c1-c1nn[n-]n1 ZINC000826344533 948009102 /nfs/dbraw/zinc/00/91/02/948009102.db2.gz KLQUMGRHPDHEBH-LLVKDONJSA-N -1 1 384.400 1.372 20 0 GDADMM C[C@H](C(=O)NC1(C)CCN(c2nccnc2-c2nnn[n-]2)CC1)c1ccco1 ZINC001573660350 948020034 /nfs/dbraw/zinc/02/00/34/948020034.db2.gz ZLKATHXDPLLWIV-LBPRGKRZSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](C(=O)NC1(C)CCN(c2nccnc2-c2nn[n-]n2)CC1)c1ccco1 ZINC001573660350 948020045 /nfs/dbraw/zinc/02/00/45/948020045.db2.gz ZLKATHXDPLLWIV-LBPRGKRZSA-N -1 1 382.428 1.529 20 0 GDADMM Cc1onc(CC(=O)N[C@H](c2nccn2C)c2ccccc2F)c1-c1nnn[n-]1 ZINC000826345469 948025319 /nfs/dbraw/zinc/02/53/19/948025319.db2.gz LTHXDDOQCPWNEF-INIZCTEOSA-N -1 1 396.386 1.484 20 0 GDADMM Cc1onc(CC(=O)N[C@H](c2nccn2C)c2ccccc2F)c1-c1nn[n-]n1 ZINC000826345469 948025329 /nfs/dbraw/zinc/02/53/29/948025329.db2.gz LTHXDDOQCPWNEF-INIZCTEOSA-N -1 1 396.386 1.484 20 0 GDADMM Cc1onc(CC(=O)N[C@H]2CCCN(c3cccc(F)c3)C2)c1-c1nnn[n-]1 ZINC000826346037 948035924 /nfs/dbraw/zinc/03/59/24/948035924.db2.gz AVTTYQJVKFHJFL-ZDUSSCGKSA-N -1 1 385.403 1.630 20 0 GDADMM Cc1onc(CC(=O)N[C@H]2CCCN(c3cccc(F)c3)C2)c1-c1nn[n-]n1 ZINC000826346037 948035931 /nfs/dbraw/zinc/03/59/31/948035931.db2.gz AVTTYQJVKFHJFL-ZDUSSCGKSA-N -1 1 385.403 1.630 20 0 GDADMM Cc1onc(CC(=O)NCCCCCC(=O)OC(C)(C)C)c1-c1nnn[n-]1 ZINC000826347033 948048752 /nfs/dbraw/zinc/04/87/52/948048752.db2.gz CAJXYEYNYJDWPC-UHFFFAOYSA-N -1 1 378.433 1.724 20 0 GDADMM Cc1onc(CC(=O)NCCCCCC(=O)OC(C)(C)C)c1-c1nn[n-]n1 ZINC000826347033 948048760 /nfs/dbraw/zinc/04/87/60/948048760.db2.gz CAJXYEYNYJDWPC-UHFFFAOYSA-N -1 1 378.433 1.724 20 0 GDADMM Cc1onc(CC(=O)NCCCC(=O)N2Cc3ccccc3C2)c1-c1nnn[n-]1 ZINC000826347100 948049461 /nfs/dbraw/zinc/04/94/61/948049461.db2.gz FFGTZSVCUXGDGX-UHFFFAOYSA-N -1 1 395.423 1.144 20 0 GDADMM Cc1onc(CC(=O)NCCCC(=O)N2Cc3ccccc3C2)c1-c1nn[n-]n1 ZINC000826347100 948049470 /nfs/dbraw/zinc/04/94/70/948049470.db2.gz FFGTZSVCUXGDGX-UHFFFAOYSA-N -1 1 395.423 1.144 20 0 GDADMM C[C@H](C(=O)N[C@@]12CCC[C@@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2)C(C)(F)F ZINC001573664384 948053213 /nfs/dbraw/zinc/05/32/13/948053213.db2.gz UYCKBPBUGGNSPN-YOIRWDDOSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H](C(=O)N[C@@]12CCC[C@@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2)C(C)(F)F ZINC001573664384 948053224 /nfs/dbraw/zinc/05/32/24/948053224.db2.gz UYCKBPBUGGNSPN-YOIRWDDOSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H](C(=O)N[C@]12CCC[C@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2)C(C)(F)F ZINC001573664338 948054058 /nfs/dbraw/zinc/05/40/58/948054058.db2.gz TYGLOEBEBQEKPJ-AGKHESDQSA-N -1 1 392.414 1.566 20 0 GDADMM Cc1onc(CC(=O)NCc2cccc(NC(=O)N(C)C)c2)c1-c1nnn[n-]1 ZINC000826348020 948066282 /nfs/dbraw/zinc/06/62/82/948066282.db2.gz QGCYJRSWPKZXSP-UHFFFAOYSA-N -1 1 384.400 1.116 20 0 GDADMM Cc1onc(CC(=O)NCc2cccc(NC(=O)N(C)C)c2)c1-c1nn[n-]n1 ZINC000826348020 948066291 /nfs/dbraw/zinc/06/62/91/948066291.db2.gz QGCYJRSWPKZXSP-UHFFFAOYSA-N -1 1 384.400 1.116 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(N3CCC(O)CC3)cc2)c1-c1nnn[n-]1 ZINC000826348452 948072372 /nfs/dbraw/zinc/07/23/72/948072372.db2.gz MVNVESQWOZYHPN-UHFFFAOYSA-N -1 1 383.412 1.305 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(N3CCC(O)CC3)cc2)c1-c1nn[n-]n1 ZINC000826348452 948072381 /nfs/dbraw/zinc/07/23/81/948072381.db2.gz MVNVESQWOZYHPN-UHFFFAOYSA-N -1 1 383.412 1.305 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)c1-c1nnn[n-]1 ZINC000826348519 948075560 /nfs/dbraw/zinc/07/55/60/948075560.db2.gz QHUVKNLALAMVTR-VXGBXAGGSA-N -1 1 397.439 1.958 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)c1-c1nn[n-]n1 ZINC000826348519 948075575 /nfs/dbraw/zinc/07/55/75/948075575.db2.gz QHUVKNLALAMVTR-VXGBXAGGSA-N -1 1 397.439 1.958 20 0 GDADMM C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573666457 948086859 /nfs/dbraw/zinc/08/68/59/948086859.db2.gz TXYLXMRMPAFRLV-FUDCBSFHSA-N -1 1 384.488 1.955 20 0 GDADMM C[C@H](C(=O)NC1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1)n1cccc1 ZINC001573667145 948094827 /nfs/dbraw/zinc/09/48/27/948094827.db2.gz YGDOCUUIPPIZNP-IYXRBSQSSA-N -1 1 381.444 1.559 20 0 GDADMM C[C@H](C(=O)NC1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1)n1cccc1 ZINC001573667145 948094838 /nfs/dbraw/zinc/09/48/38/948094838.db2.gz YGDOCUUIPPIZNP-IYXRBSQSSA-N -1 1 381.444 1.559 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1)C(C)(F)F ZINC001573673901 948115602 /nfs/dbraw/zinc/11/56/02/948115602.db2.gz MCFSGPBMLFCNIC-BQBZGAKWSA-N -1 1 391.835 1.963 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1)C(C)(F)F ZINC001573673901 948115605 /nfs/dbraw/zinc/11/56/05/948115605.db2.gz MCFSGPBMLFCNIC-BQBZGAKWSA-N -1 1 391.835 1.963 20 0 GDADMM Cn1cc(CNC(=O)c2ccc(Oc3cccc(F)c3-c3nnn[n-]3)cc2)nn1 ZINC000826361388 948130898 /nfs/dbraw/zinc/13/08/98/948130898.db2.gz VNOXONDKGDIMKS-UHFFFAOYSA-N -1 1 394.370 1.857 20 0 GDADMM Cn1cc(CNC(=O)c2ccc(Oc3cccc(F)c3-c3nn[n-]n3)cc2)nn1 ZINC000826361388 948130905 /nfs/dbraw/zinc/13/09/05/948130905.db2.gz VNOXONDKGDIMKS-UHFFFAOYSA-N -1 1 394.370 1.857 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC1(C)C)C(C)(F)F ZINC001573677813 948141849 /nfs/dbraw/zinc/14/18/49/948141849.db2.gz FKGQKNDNBBPUSL-NXEZZACHSA-N -1 1 380.403 1.279 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC1(C)C)C(C)(F)F ZINC001573677813 948141859 /nfs/dbraw/zinc/14/18/59/948141859.db2.gz FKGQKNDNBBPUSL-NXEZZACHSA-N -1 1 380.403 1.279 20 0 GDADMM C[C@@H](C(=O)NC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)c1ccccc1)C1CC1 ZINC001573679704 948166023 /nfs/dbraw/zinc/16/60/23/948166023.db2.gz JQTXCIJTUGUGPL-DOMZBBRYSA-N -1 1 378.440 1.972 20 0 GDADMM C[C@@H](C(=O)NC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)c1ccccc1)C1CC1 ZINC001573679704 948166024 /nfs/dbraw/zinc/16/60/24/948166024.db2.gz JQTXCIJTUGUGPL-DOMZBBRYSA-N -1 1 378.440 1.972 20 0 GDADMM CC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573428993 948170178 /nfs/dbraw/zinc/17/01/78/948170178.db2.gz FQCGKFBERQBOMP-VLEAKVRGSA-N -1 1 379.877 1.670 20 0 GDADMM CC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573428993 948170183 /nfs/dbraw/zinc/17/01/83/948170183.db2.gz FQCGKFBERQBOMP-VLEAKVRGSA-N -1 1 379.877 1.670 20 0 GDADMM C[C@@H](C(=O)NC[C@H](Nc1nccnc1-c1nnn[n-]1)C1CC1)c1cccs1 ZINC001573680832 948190405 /nfs/dbraw/zinc/19/04/05/948190405.db2.gz QMCIYORDKHHXEL-PWSUYJOCSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)NC[C@H](Nc1nccnc1-c1nn[n-]n1)C1CC1)c1cccs1 ZINC001573680832 948190411 /nfs/dbraw/zinc/19/04/11/948190411.db2.gz QMCIYORDKHHXEL-PWSUYJOCSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCCC1)[C@@H]1CCCO1 ZINC001573690747 948228575 /nfs/dbraw/zinc/22/85/75/948228575.db2.gz ARJLJAXOKCVXBN-JSGCOSHPSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCCC1)[C@@H]1CCCO1 ZINC001573690747 948228583 /nfs/dbraw/zinc/22/85/83/948228583.db2.gz ARJLJAXOKCVXBN-JSGCOSHPSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCCC1)c1ccco1 ZINC001573691150 948236653 /nfs/dbraw/zinc/23/66/53/948236653.db2.gz DFMIRZJOTQOCDY-LBPRGKRZSA-N -1 1 382.428 1.894 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCCC1)c1ccco1 ZINC001573691150 948236663 /nfs/dbraw/zinc/23/66/63/948236663.db2.gz DFMIRZJOTQOCDY-LBPRGKRZSA-N -1 1 382.428 1.894 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCCC1)[C@H]1CCCO1 ZINC001573692089 948254952 /nfs/dbraw/zinc/25/49/52/948254952.db2.gz LIBFHGRWRJALKG-GXTWGEPZSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCCC1)[C@H]1CCCO1 ZINC001573692089 948254961 /nfs/dbraw/zinc/25/49/61/948254961.db2.gz LIBFHGRWRJALKG-GXTWGEPZSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCCC1)C(F)(F)F ZINC001573692610 948269108 /nfs/dbraw/zinc/26/91/08/948269108.db2.gz RCZZOIVBENEKNE-VIFPVBQESA-N -1 1 384.366 1.118 20 0 GDADMM C[C@H](C(=O)NCC1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C1CCC1 ZINC001573695511 948305397 /nfs/dbraw/zinc/30/53/97/948305397.db2.gz XNILFWNYAMWZGG-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NCC1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C1CCC1 ZINC001573695511 948305408 /nfs/dbraw/zinc/30/54/08/948305408.db2.gz XNILFWNYAMWZGG-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1)C1CCC1 ZINC001573696327 948322406 /nfs/dbraw/zinc/32/24/06/948322406.db2.gz NZOQGLBIZKFLHU-NSHDSACASA-N -1 1 376.486 1.027 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)c1cccs1 ZINC001573701900 948341060 /nfs/dbraw/zinc/34/10/60/948341060.db2.gz BNODVMNAJHGYDD-RYUDHWBXSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)c1cccs1 ZINC001573701900 948341069 /nfs/dbraw/zinc/34/10/69/948341069.db2.gz BNODVMNAJHGYDD-RYUDHWBXSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001573703688 948359636 /nfs/dbraw/zinc/35/96/36/948359636.db2.gz MCYKHBSZSISSIG-STQMWFEESA-N -1 1 382.428 1.386 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001573703688 948359643 /nfs/dbraw/zinc/35/96/43/948359643.db2.gz MCYKHBSZSISSIG-STQMWFEESA-N -1 1 382.428 1.386 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)c1ccsc1 ZINC001573704233 948367333 /nfs/dbraw/zinc/36/73/33/948367333.db2.gz QTXSLEQMGJLPBG-YPMHNXCESA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)c1ccsc1 ZINC001573704233 948367343 /nfs/dbraw/zinc/36/73/43/948367343.db2.gz QTXSLEQMGJLPBG-YPMHNXCESA-N -1 1 384.469 1.607 20 0 GDADMM O=C(c1cccc(NCc2ccnc(-c3nnn[n-]3)c2)c1)N1CCC[C@H](CO)C1 ZINC000826474106 948373346 /nfs/dbraw/zinc/37/33/46/948373346.db2.gz AKJOUEGTAKOVIX-HNNXBMFYSA-N -1 1 393.451 1.718 20 0 GDADMM O=C(c1cccc(NCc2ccnc(-c3nn[n-]n3)c2)c1)N1CCC[C@H](CO)C1 ZINC000826474106 948373350 /nfs/dbraw/zinc/37/33/50/948373350.db2.gz AKJOUEGTAKOVIX-HNNXBMFYSA-N -1 1 393.451 1.718 20 0 GDADMM C[C@@H](C(=O)NCCC1(CNc2ccnc(-c3nn[n-]n3)n2)CC1)C1CCCC1 ZINC001573704847 948385357 /nfs/dbraw/zinc/38/53/57/948385357.db2.gz BEOHUPCJNYPFRG-CYBMUJFWSA-N -1 1 384.488 1.603 20 0 GDADMM O=C1CCCc2cc(OS(=O)(=O)c3ccccc3-c3nn[n-]n3)ccc2N1 ZINC000826480522 948393349 /nfs/dbraw/zinc/39/33/49/948393349.db2.gz FTJPMDIWFZWLTJ-UHFFFAOYSA-N -1 1 385.405 1.909 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1)C(C)(F)F ZINC001573705348 948397804 /nfs/dbraw/zinc/39/78/04/948397804.db2.gz WAWSGPHSFFTURH-WDEREUQCSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1)C(C)(F)F ZINC001573705348 948397811 /nfs/dbraw/zinc/39/78/11/948397811.db2.gz WAWSGPHSFFTURH-WDEREUQCSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H](C(=O)NCC1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573706125 948413410 /nfs/dbraw/zinc/41/34/10/948413410.db2.gz YTIMBGZKIIQAHQ-UNXYVOJBSA-N -1 1 384.469 1.251 20 0 GDADMM C[C@@H](C(=O)NCCC1(CNc2cncc(-c3nnn[n-]3)n2)CC1)C(C)(F)F ZINC001573706918 948426899 /nfs/dbraw/zinc/42/68/99/948426899.db2.gz LQNDWOFQTNKELO-JTQLQIEISA-N -1 1 380.403 1.646 20 0 GDADMM C[C@@H](C(=O)NCCC1(CNc2cncc(-c3nn[n-]n3)n2)CC1)C(C)(F)F ZINC001573706918 948426903 /nfs/dbraw/zinc/42/69/03/948426903.db2.gz LQNDWOFQTNKELO-JTQLQIEISA-N -1 1 380.403 1.646 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1)C(C)(C)C ZINC001573707515 948435507 /nfs/dbraw/zinc/43/55/07/948435507.db2.gz OBYJNSMKLKPCDI-OLZOCXBDSA-N -1 1 392.529 1.927 20 0 GDADMM C[C@@H](C(=O)NCC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001573714676 948473955 /nfs/dbraw/zinc/47/39/55/948473955.db2.gz INRMJKXVGIWDRC-UWVGGRQHSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@H](C(=O)NCC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001573714676 948473958 /nfs/dbraw/zinc/47/39/58/948473958.db2.gz INRMJKXVGIWDRC-UWVGGRQHSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1)c1ccc(Cl)cc1 ZINC001573714858 948478307 /nfs/dbraw/zinc/47/83/07/948478307.db2.gz KFAWVHQTAYMPPL-NSHDSACASA-N -1 1 386.847 1.666 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1)c1ccc(Cl)cc1 ZINC001573714858 948478313 /nfs/dbraw/zinc/47/83/13/948478313.db2.gz KFAWVHQTAYMPPL-NSHDSACASA-N -1 1 386.847 1.666 20 0 GDADMM C[C@@H](C(=O)NCC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001573715393 948490176 /nfs/dbraw/zinc/49/01/76/948490176.db2.gz VOFVSMKTBYACJZ-UWVGGRQHSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@H](C(=O)NCC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001573715393 948490180 /nfs/dbraw/zinc/49/01/80/948490180.db2.gz VOFVSMKTBYACJZ-UWVGGRQHSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1nc(Cl)c(-c2nnn[n-]2)s1)[C@H]1CCCO1 ZINC001573721012 948535615 /nfs/dbraw/zinc/53/56/15/948535615.db2.gz UQQVTCYZAKQGHP-RKDXNWHRSA-N -1 1 385.881 1.344 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1nc(Cl)c(-c2nn[n-]n2)s1)[C@H]1CCCO1 ZINC001573721012 948535620 /nfs/dbraw/zinc/53/56/20/948535620.db2.gz UQQVTCYZAKQGHP-RKDXNWHRSA-N -1 1 385.881 1.344 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C)c1ccco1 ZINC001573729566 948569205 /nfs/dbraw/zinc/56/92/05/948569205.db2.gz UULCLYDHMALMJK-FRRDWIJNSA-N -1 1 382.428 1.242 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C)c1ccco1 ZINC001573729566 948569211 /nfs/dbraw/zinc/56/92/11/948569211.db2.gz UULCLYDHMALMJK-FRRDWIJNSA-N -1 1 382.428 1.242 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nnn[n-]1)C(C)(F)F ZINC001573736457 948615801 /nfs/dbraw/zinc/61/58/01/948615801.db2.gz VLSYFVICQUCPJC-HBNTYKKESA-N -1 1 380.403 1.787 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nn[n-]n1)C(C)(F)F ZINC001573736457 948615806 /nfs/dbraw/zinc/61/58/06/948615806.db2.gz VLSYFVICQUCPJC-HBNTYKKESA-N -1 1 380.403 1.787 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C)c1cccs1 ZINC001573740444 948634410 /nfs/dbraw/zinc/63/44/10/948634410.db2.gz PGSOZBRPDRNJKK-NTZNESFSSA-N -1 1 384.469 1.463 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C)c1cccs1 ZINC001573740444 948634415 /nfs/dbraw/zinc/63/44/15/948634415.db2.gz PGSOZBRPDRNJKK-NTZNESFSSA-N -1 1 384.469 1.463 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)c1cccnc1 ZINC001573748797 948695499 /nfs/dbraw/zinc/69/54/99/948695499.db2.gz VCFUHJCXTGWLBE-YRGRVCCFSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)c1cccnc1 ZINC001573748797 948695502 /nfs/dbraw/zinc/69/55/02/948695502.db2.gz VCFUHJCXTGWLBE-YRGRVCCFSA-N -1 1 379.428 1.162 20 0 GDADMM CC(C)c1ccc(C(=O)N(C)CCN(C)c2cncc(-c3nnn[n-]3)n2)cn1 ZINC001574416413 948748832 /nfs/dbraw/zinc/74/88/32/948748832.db2.gz UZBUWOIKMMIQKU-UHFFFAOYSA-N -1 1 381.444 1.384 20 0 GDADMM CC(C)c1ccc(C(=O)N(C)CCN(C)c2cncc(-c3nn[n-]n3)n2)cn1 ZINC001574416413 948748840 /nfs/dbraw/zinc/74/88/40/948748840.db2.gz UZBUWOIKMMIQKU-UHFFFAOYSA-N -1 1 381.444 1.384 20 0 GDADMM CC(F)(F)C1(C(=O)NCC2CC(Nc3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001575221823 948752903 /nfs/dbraw/zinc/75/29/03/948752903.db2.gz DIDYGPORUQXCNA-UHFFFAOYSA-N -1 1 378.387 1.399 20 0 GDADMM CC(F)(F)C1(C(=O)NCC2CC(Nc3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001575221823 948752910 /nfs/dbraw/zinc/75/29/10/948752910.db2.gz DIDYGPORUQXCNA-UHFFFAOYSA-N -1 1 378.387 1.399 20 0 GDADMM CC(F)(F)C1(C(=O)NCC[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001575223432 948768650 /nfs/dbraw/zinc/76/86/50/948768650.db2.gz OXOQJAPGIHXGKA-LLVKDONJSA-N -1 1 392.414 1.425 20 0 GDADMM CC(F)(F)C1(C(=O)NCC[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575223432 948768661 /nfs/dbraw/zinc/76/86/61/948768661.db2.gz OXOQJAPGIHXGKA-LLVKDONJSA-N -1 1 392.414 1.425 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001575223998 948778433 /nfs/dbraw/zinc/77/84/33/948778433.db2.gz SKDAPZGZLMQLBS-JTQLQIEISA-N -1 1 378.387 1.495 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001575223998 948778444 /nfs/dbraw/zinc/77/84/44/948778444.db2.gz SKDAPZGZLMQLBS-JTQLQIEISA-N -1 1 378.387 1.495 20 0 GDADMM C[C@H](C(=O)Nc1cnn([C@@H](C)c2ccccc2)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001573755674 948780247 /nfs/dbraw/zinc/78/02/47/948780247.db2.gz SDIMYDRIGCHXDO-NWDGAFQWSA-N -1 1 378.400 1.464 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CCCC1 ZINC001575224774 948792406 /nfs/dbraw/zinc/79/24/06/948792406.db2.gz RAXJWWZDUQBXHL-NSHDSACASA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001575224774 948792412 /nfs/dbraw/zinc/79/24/12/948792412.db2.gz RAXJWWZDUQBXHL-NSHDSACASA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)C1(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nnn[n-]2)CC1 ZINC001575224802 948794663 /nfs/dbraw/zinc/79/46/63/948794663.db2.gz ZFOBISDHVBTQGZ-PHIMTYICSA-N -1 1 390.398 1.272 20 0 GDADMM CC(F)(F)C1(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nn[n-]n2)CC1 ZINC001575224802 948794673 /nfs/dbraw/zinc/79/46/73/948794673.db2.gz ZFOBISDHVBTQGZ-PHIMTYICSA-N -1 1 390.398 1.272 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1csc(Cl)n1 ZINC001574680067 948796249 /nfs/dbraw/zinc/79/62/49/948796249.db2.gz CXQXJALITGZNJB-ZETCQYMHSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1csc(Cl)n1 ZINC001574680067 948796257 /nfs/dbraw/zinc/79/62/57/948796257.db2.gz CXQXJALITGZNJB-ZETCQYMHSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cc2c(s1)CCC2 ZINC001574679956 948796589 /nfs/dbraw/zinc/79/65/89/948796589.db2.gz CQZWTQRYDOHBDG-JTQLQIEISA-N -1 1 384.469 1.827 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cc2c(s1)CCC2 ZINC001574679956 948796599 /nfs/dbraw/zinc/79/65/99/948796599.db2.gz CQZWTQRYDOHBDG-JTQLQIEISA-N -1 1 384.469 1.827 20 0 GDADMM C[C@@H](C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)N1CSCCSC1 ZINC001573756179 948801243 /nfs/dbraw/zinc/80/12/43/948801243.db2.gz MZKULUDPZGRCEM-QMMMGPOBSA-N -1 1 380.503 1.491 20 0 GDADMM C[C@H](CNC(=O)CCc1ccon1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574917324 948814101 /nfs/dbraw/zinc/81/41/01/948814101.db2.gz WPEUBNHGUBDSIK-SSDOTTSWSA-N -1 1 382.837 1.514 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[C@H](C)c1ccncc1 ZINC001574681366 948819056 /nfs/dbraw/zinc/81/90/56/948819056.db2.gz MCFIBRLBICWHCE-QWHCGFSZSA-N -1 1 381.444 1.552 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[C@H](C)c1ccncc1 ZINC001574681366 948819071 /nfs/dbraw/zinc/81/90/71/948819071.db2.gz MCFIBRLBICWHCE-QWHCGFSZSA-N -1 1 381.444 1.552 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001575227045 948824256 /nfs/dbraw/zinc/82/42/56/948824256.db2.gz RJWUCKHJEMCWRI-NEPJUHHUSA-N -1 1 378.387 1.272 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001575227045 948824269 /nfs/dbraw/zinc/82/42/69/948824269.db2.gz RJWUCKHJEMCWRI-NEPJUHHUSA-N -1 1 378.387 1.272 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cc2c([nH]1)CCCC2 ZINC001574682852 948832407 /nfs/dbraw/zinc/83/24/07/948832407.db2.gz RVCOBVYSGNNMLG-LLVKDONJSA-N -1 1 381.444 1.484 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cc2c([nH]1)CCCC2 ZINC001574682852 948832422 /nfs/dbraw/zinc/83/24/22/948832422.db2.gz RVCOBVYSGNNMLG-LLVKDONJSA-N -1 1 381.444 1.484 20 0 GDADMM C[C@H](CNC(=O)CCCc1cccnc1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574918192 948835622 /nfs/dbraw/zinc/83/56/22/948835622.db2.gz HALVSSOECHOTPM-CYBMUJFWSA-N -1 1 381.444 1.016 20 0 GDADMM C[C@H](CNC(=O)CCCc1cccnc1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574918192 948835641 /nfs/dbraw/zinc/83/56/41/948835641.db2.gz HALVSSOECHOTPM-CYBMUJFWSA-N -1 1 381.444 1.016 20 0 GDADMM CC(F)(F)CC(=O)NC[C@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001575229831 948859132 /nfs/dbraw/zinc/85/91/32/948859132.db2.gz VNTJXNYKYSIHPB-SSDOTTSWSA-N -1 1 391.835 1.964 20 0 GDADMM CC(F)(F)CC(=O)NC[C@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001575229831 948859150 /nfs/dbraw/zinc/85/91/50/948859150.db2.gz VNTJXNYKYSIHPB-SSDOTTSWSA-N -1 1 391.835 1.964 20 0 GDADMM CC(C)[C@]1(C)C[C@@H]1C(=O)N(C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574082986 948871473 /nfs/dbraw/zinc/87/14/73/948871473.db2.gz MVHFNLMPANQXMP-KUHUBIRLSA-N -1 1 384.488 1.766 20 0 GDADMM CC(C)[C@]1(C)C[C@@H]1C(=O)N(C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574082986 948871488 /nfs/dbraw/zinc/87/14/88/948871488.db2.gz MVHFNLMPANQXMP-KUHUBIRLSA-N -1 1 384.488 1.766 20 0 GDADMM C[C@@H](CNC(=O)CCCc1cccnc1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574919244 948873953 /nfs/dbraw/zinc/87/39/53/948873953.db2.gz XFJAPQAZQBOLNH-ZDUSSCGKSA-N -1 1 381.444 1.016 20 0 GDADMM CC(C)(C(=O)N1CC[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1)C1CC1 ZINC001573764340 948887110 /nfs/dbraw/zinc/88/71/10/948887110.db2.gz NGUKOTBAHJDZLI-LJQANCHMSA-N -1 1 382.472 1.522 20 0 GDADMM CC(C)(C(=O)N1CC[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1)C1CC1 ZINC001573764340 948887125 /nfs/dbraw/zinc/88/71/25/948887125.db2.gz NGUKOTBAHJDZLI-LJQANCHMSA-N -1 1 382.472 1.522 20 0 GDADMM CC(C)c1nc([C@H]2COCCN2C(=O)Nc2ccnc(-c3nnn[n-]3)c2)no1 ZINC001574426402 948888209 /nfs/dbraw/zinc/88/82/09/948888209.db2.gz RLIOIOOAPDNOMZ-GFCCVEGCSA-N -1 1 385.388 1.374 20 0 GDADMM CC(C)c1nc([C@H]2COCCN2C(=O)Nc2ccnc(-c3nn[n-]n3)c2)no1 ZINC001574426402 948888228 /nfs/dbraw/zinc/88/82/28/948888228.db2.gz RLIOIOOAPDNOMZ-GFCCVEGCSA-N -1 1 385.388 1.374 20 0 GDADMM CC(C)(C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573765169 948900140 /nfs/dbraw/zinc/90/01/40/948900140.db2.gz VQOWLNZILOOOOD-KGLIPLIRSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)C1CCOCC1 ZINC001574685456 948911570 /nfs/dbraw/zinc/91/15/70/948911570.db2.gz WTNLYRFQEFNYSR-MRVPVSSYSA-N -1 1 385.881 1.710 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575235168 948912542 /nfs/dbraw/zinc/91/25/42/948912542.db2.gz KHUIMKOMVPUVMQ-UHFFFAOYSA-N -1 1 380.403 1.165 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC[C@H]2[C@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001575235118 948913160 /nfs/dbraw/zinc/91/31/60/948913160.db2.gz IYLWMLHZBWMCEC-QWHCGFSZSA-N -1 1 392.414 1.662 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC[C@H]2[C@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001575235118 948913166 /nfs/dbraw/zinc/91/31/66/948913166.db2.gz IYLWMLHZBWMCEC-QWHCGFSZSA-N -1 1 392.414 1.662 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CC[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@@H]2C1 ZINC001575235766 948925357 /nfs/dbraw/zinc/92/53/57/948925357.db2.gz YENISMTVGUKDTM-GRYCIOLGSA-N -1 1 392.414 1.423 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CC[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@H]2C1 ZINC001575235766 948925368 /nfs/dbraw/zinc/92/53/68/948925368.db2.gz YENISMTVGUKDTM-GRYCIOLGSA-N -1 1 392.414 1.423 20 0 GDADMM CC(C)c1ncncc1C(=O)N[C@H](C)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574431842 948928864 /nfs/dbraw/zinc/92/88/64/948928864.db2.gz CRKCUCVOJIJQQN-GHMZBOCLSA-N -1 1 382.432 1.189 20 0 GDADMM CC(C)c1ncncc1C(=O)N[C@H](C)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574431842 948928872 /nfs/dbraw/zinc/92/88/72/948928872.db2.gz CRKCUCVOJIJQQN-GHMZBOCLSA-N -1 1 382.432 1.189 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@]12CCC[C@@H]1N(c1nccnc1-c1nnn[n-]1)CC2 ZINC001575235953 948932617 /nfs/dbraw/zinc/93/26/17/948932617.db2.gz SYDWSJZXUBPWCT-APPDUMDISA-N -1 1 392.414 1.710 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@]12CCC[C@@H]1N(c1nccnc1-c1nn[n-]n1)CC2 ZINC001575235953 948932628 /nfs/dbraw/zinc/93/26/28/948932628.db2.gz SYDWSJZXUBPWCT-APPDUMDISA-N -1 1 392.414 1.710 20 0 GDADMM CC(F)(F)CCC(=O)N[C@]12CCC[C@@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001575236097 948933951 /nfs/dbraw/zinc/93/39/51/948933951.db2.gz VSAWMXQWLVAPQM-GTNSWQLSSA-N -1 1 392.414 1.710 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC[C@@H]2[C@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001575236090 948935597 /nfs/dbraw/zinc/93/55/97/948935597.db2.gz VKZXTCXAZBFVDY-CHWSQXEVSA-N -1 1 392.414 1.662 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC[C@@H]2[C@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001575236090 948935606 /nfs/dbraw/zinc/93/56/06/948935606.db2.gz VKZXTCXAZBFVDY-CHWSQXEVSA-N -1 1 392.414 1.662 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC(CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001575236198 948937232 /nfs/dbraw/zinc/93/72/32/948937232.db2.gz XRDXRGBBPLPCIT-UHFFFAOYSA-N -1 1 380.403 1.743 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC(CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001575236198 948937238 /nfs/dbraw/zinc/93/72/38/948937238.db2.gz XRDXRGBBPLPCIT-UHFFFAOYSA-N -1 1 380.403 1.743 20 0 GDADMM CC(C)(C(=O)N[C@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2)C(F)F ZINC001573771327 948939945 /nfs/dbraw/zinc/93/99/45/948939945.db2.gz GLGQXYCTUJKNJL-NSHDSACASA-N -1 1 392.414 1.423 20 0 GDADMM CC(C)(C(=O)N[C@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2)C(F)F ZINC001573771327 948939963 /nfs/dbraw/zinc/93/99/63/948939963.db2.gz GLGQXYCTUJKNJL-NSHDSACASA-N -1 1 392.414 1.423 20 0 GDADMM CC(C)(C(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CCCC1)C1CC1 ZINC001573771445 948942629 /nfs/dbraw/zinc/94/26/29/948942629.db2.gz HRHOFRUADFYTPJ-AWEZNQCLSA-N -1 1 384.488 1.602 20 0 GDADMM CC(C)(C(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)c1ccccc1 ZINC001573771635 948943694 /nfs/dbraw/zinc/94/36/94/948943694.db2.gz JRUAICJSXQWUEF-OAHLLOKOSA-N -1 1 392.467 1.941 20 0 GDADMM CC(C)(C(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)c1ccccc1 ZINC001573771635 948943700 /nfs/dbraw/zinc/94/37/00/948943700.db2.gz JRUAICJSXQWUEF-OAHLLOKOSA-N -1 1 392.467 1.941 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C1CCC1 ZINC001573771660 948945200 /nfs/dbraw/zinc/94/52/00/948945200.db2.gz KHZBVLPVJCVUMY-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)NC1CC2(C1)CC(Nc1nccnc1-c1nnn[n-]1)C2)C(F)F ZINC001573771721 948946428 /nfs/dbraw/zinc/94/64/28/948946428.db2.gz LWKIAFCTWDOSBM-UHFFFAOYSA-N -1 1 392.414 1.787 20 0 GDADMM CC(C)(C(=O)NC1CC2(C1)CC(Nc1nccnc1-c1nn[n-]n1)C2)C(F)F ZINC001573771721 948946439 /nfs/dbraw/zinc/94/64/39/948946439.db2.gz LWKIAFCTWDOSBM-UHFFFAOYSA-N -1 1 392.414 1.787 20 0 GDADMM CC(C)(C(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)C(F)(F)F ZINC001573771912 948949885 /nfs/dbraw/zinc/94/98/85/948949885.db2.gz OAVJUYDTDLQBRS-SECBINFHSA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)(C(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)C(F)(F)F ZINC001573771912 948949896 /nfs/dbraw/zinc/94/98/96/948949896.db2.gz OAVJUYDTDLQBRS-SECBINFHSA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)(C(=O)NC1CC2(C1)CC(Nc1nccnc1-c1nnn[n-]1)C2)C1CC1 ZINC001573772102 948953320 /nfs/dbraw/zinc/95/33/20/948953320.db2.gz QPKDIEQJPBJBMS-UHFFFAOYSA-N -1 1 382.472 1.932 20 0 GDADMM CC(C)(C(=O)NC1CC2(C1)CC(Nc1nccnc1-c1nn[n-]n1)C2)C1CC1 ZINC001573772102 948953333 /nfs/dbraw/zinc/95/33/33/948953333.db2.gz QPKDIEQJPBJBMS-UHFFFAOYSA-N -1 1 382.472 1.932 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@@H](C)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574433840 948966850 /nfs/dbraw/zinc/96/68/50/948966850.db2.gz SBLDPWLBHAQIMG-UWVGGRQHSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@@H](C)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574433840 948966860 /nfs/dbraw/zinc/96/68/60/948966860.db2.gz SBLDPWLBHAQIMG-UWVGGRQHSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)NC1CC2(C1)CC(Nc1nccnc1-c1nnn[n-]1)C2 ZINC001574090543 948991910 /nfs/dbraw/zinc/99/19/10/948991910.db2.gz LFJLRTWRRQNUSY-MAWWUMEMSA-N -1 1 382.472 1.788 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)NC1CC2(C1)CC(Nc1nccnc1-c1nn[n-]n1)C2 ZINC001574090543 948991921 /nfs/dbraw/zinc/99/19/21/948991921.db2.gz LFJLRTWRRQNUSY-MAWWUMEMSA-N -1 1 382.472 1.788 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCOCC1 ZINC001574091438 949015580 /nfs/dbraw/zinc/01/55/80/949015580.db2.gz NBSVABFTNBRMSZ-STQMWFEESA-N -1 1 386.460 1.026 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCOCC1 ZINC001574091438 949015691 /nfs/dbraw/zinc/01/56/91/949015691.db2.gz NBSVABFTNBRMSZ-STQMWFEESA-N -1 1 386.460 1.026 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1COc2ccccc21 ZINC001574691456 949025137 /nfs/dbraw/zinc/02/51/37/949025137.db2.gz XWXSJEJLCDXOBZ-AAEUAGOBSA-N -1 1 380.412 1.140 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1COc2ccccc21 ZINC001574691456 949025156 /nfs/dbraw/zinc/02/51/56/949025156.db2.gz XWXSJEJLCDXOBZ-AAEUAGOBSA-N -1 1 380.412 1.140 20 0 GDADMM CC(C)c1nnsc1C(=O)N[C@@H](C)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574440495 949028219 /nfs/dbraw/zinc/02/82/19/949028219.db2.gz QGIROQFMZAZFNQ-IUCAKERBSA-N -1 1 388.461 1.251 20 0 GDADMM CC(C)c1nnsc1C(=O)N[C@@H](C)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574440495 949028231 /nfs/dbraw/zinc/02/82/31/949028231.db2.gz QGIROQFMZAZFNQ-IUCAKERBSA-N -1 1 388.461 1.251 20 0 GDADMM CC(C)c1nnsc1C(=O)N[C@@H](C)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574440492 949030435 /nfs/dbraw/zinc/03/04/35/949030435.db2.gz QGIROQFMZAZFNQ-BDAKNGLRSA-N -1 1 388.461 1.251 20 0 GDADMM CC(C)c1nnsc1C(=O)N[C@@H](C)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574440492 949030451 /nfs/dbraw/zinc/03/04/51/949030451.db2.gz QGIROQFMZAZFNQ-BDAKNGLRSA-N -1 1 388.461 1.251 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)CCCc1ccccc1 ZINC001574693131 949047070 /nfs/dbraw/zinc/04/70/70/949047070.db2.gz AQZYLZGRNDFERO-CQSZACIVSA-N -1 1 380.456 1.986 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)CCCc1ccccc1 ZINC001574693131 949047094 /nfs/dbraw/zinc/04/70/94/949047094.db2.gz AQZYLZGRNDFERO-CQSZACIVSA-N -1 1 380.456 1.986 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)NCCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574092169 949048234 /nfs/dbraw/zinc/04/82/34/949048234.db2.gz QKKGOWCMZBAUTF-LSDHHAIUSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)NCCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574092169 949048252 /nfs/dbraw/zinc/04/82/52/949048252.db2.gz QKKGOWCMZBAUTF-LSDHHAIUSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)c1occc1C(=O)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574441268 949059635 /nfs/dbraw/zinc/05/96/35/949059635.db2.gz IYAVGAFUIWIBQY-LBPRGKRZSA-N -1 1 382.428 1.947 20 0 GDADMM CC(C)c1occc1C(=O)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574441268 949059655 /nfs/dbraw/zinc/05/96/55/949059655.db2.gz IYAVGAFUIWIBQY-LBPRGKRZSA-N -1 1 382.428 1.947 20 0 GDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](C)NC(=O)C1(C(F)F)CCCC1 ZINC001575249023 949086006 /nfs/dbraw/zinc/08/60/06/949086006.db2.gz ANBHVPZEAUSSMP-ZJUUUORDSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](C)NC(=O)C1(C(F)F)CCCC1 ZINC001575249023 949086029 /nfs/dbraw/zinc/08/60/29/949086029.db2.gz ANBHVPZEAUSSMP-ZJUUUORDSA-N -1 1 380.403 1.787 20 0 GDADMM CC(C)c1nocc1C(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574442025 949090447 /nfs/dbraw/zinc/09/04/47/949090447.db2.gz JWNOFNCJDGWFRG-LLVKDONJSA-N -1 1 383.416 1.119 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)c1cccn1C ZINC001574695100 949101240 /nfs/dbraw/zinc/10/12/40/949101240.db2.gz ZIARQTQIABCHCM-QMMMGPOBSA-N -1 1 380.865 1.936 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)c1cccn1C ZINC001574695100 949101247 /nfs/dbraw/zinc/10/12/47/949101247.db2.gz ZIARQTQIABCHCM-QMMMGPOBSA-N -1 1 380.865 1.936 20 0 GDADMM CC(C)[C@@]1(C)C[C@H]1C(=O)NC1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574093439 949106055 /nfs/dbraw/zinc/10/60/55/949106055.db2.gz YAKXBHHAPSFMKP-ORAYPTAESA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)[C@@]1(C)C[C@H]1C(=O)NC1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574093439 949106065 /nfs/dbraw/zinc/10/60/65/949106065.db2.gz YAKXBHHAPSFMKP-ORAYPTAESA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)C(F)F ZINC001573781496 949108539 /nfs/dbraw/zinc/10/85/39/949108539.db2.gz IASJFHVGBNPJHD-VHSXEESVSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)C(F)F ZINC001573781496 949108548 /nfs/dbraw/zinc/10/85/48/949108548.db2.gz IASJFHVGBNPJHD-VHSXEESVSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C(=O)NCCC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001573782068 949116753 /nfs/dbraw/zinc/11/67/53/949116753.db2.gz PSBZGDLRNKKSHI-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)NCCC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001573782068 949116763 /nfs/dbraw/zinc/11/67/63/949116763.db2.gz PSBZGDLRNKKSHI-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccsc1Cl ZINC001574696186 949122714 /nfs/dbraw/zinc/12/27/14/949122714.db2.gz MOYDKCDPCMYQDH-MRVPVSSYSA-N -1 1 378.849 1.992 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccsc1Cl ZINC001574696186 949122727 /nfs/dbraw/zinc/12/27/27/949122727.db2.gz MOYDKCDPCMYQDH-MRVPVSSYSA-N -1 1 378.849 1.992 20 0 GDADMM CC(C)c1occc1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C ZINC001574446236 949123573 /nfs/dbraw/zinc/12/35/73/949123573.db2.gz KPLQLTFPEORHQX-YPMHNXCESA-N -1 1 382.428 1.770 20 0 GDADMM CC(C)c1occc1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C ZINC001574446236 949123583 /nfs/dbraw/zinc/12/35/83/949123583.db2.gz KPLQLTFPEORHQX-YPMHNXCESA-N -1 1 382.428 1.770 20 0 GDADMM CC(C)c1occc1C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574446437 949132100 /nfs/dbraw/zinc/13/21/00/949132100.db2.gz PYLPEQMJRHGRNM-LBPRGKRZSA-N -1 1 382.428 1.512 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)C1CCOCC1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575251222 949132651 /nfs/dbraw/zinc/13/26/51/949132651.db2.gz MFQMAIJTTUIZFG-NWDGAFQWSA-N -1 1 388.476 1.415 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)C1CCOCC1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575251222 949132671 /nfs/dbraw/zinc/13/26/71/949132671.db2.gz MFQMAIJTTUIZFG-NWDGAFQWSA-N -1 1 388.476 1.415 20 0 GDADMM CC(C)c1occc1C(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574446591 949134513 /nfs/dbraw/zinc/13/45/13/949134513.db2.gz SCFKKKKALQSKLT-UHFFFAOYSA-N -1 1 382.428 1.772 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccc(C(F)F)o1 ZINC001574696635 949137163 /nfs/dbraw/zinc/13/71/63/949137163.db2.gz SSEKSWYWSLUSMC-QMMMGPOBSA-N -1 1 378.343 1.808 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccc(C(F)F)o1 ZINC001574696635 949137173 /nfs/dbraw/zinc/13/71/73/949137173.db2.gz SSEKSWYWSLUSMC-QMMMGPOBSA-N -1 1 378.343 1.808 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)c1cccnc1)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575251452 949142492 /nfs/dbraw/zinc/14/24/92/949142492.db2.gz NHQSZTMAFALHTC-VXGBXAGGSA-N -1 1 381.444 1.335 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)c1cccnc1)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575251452 949142507 /nfs/dbraw/zinc/14/25/07/949142507.db2.gz NHQSZTMAFALHTC-VXGBXAGGSA-N -1 1 381.444 1.335 20 0 GDADMM CC(C)(C(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001573783156 949142584 /nfs/dbraw/zinc/14/25/84/949142584.db2.gz UPQJVFGYYFLZQL-KYZUINATSA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)(C(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001573783156 949142598 /nfs/dbraw/zinc/14/25/98/949142598.db2.gz UPQJVFGYYFLZQL-KYZUINATSA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)NC1(CNc2nccnc2-c2nnn[n-]2)CCOCC1 ZINC001574095939 949158510 /nfs/dbraw/zinc/15/85/10/949158510.db2.gz ZTCJNHBAIMHJFB-CHWSQXEVSA-N -1 1 386.460 1.026 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)NC1(CNc2nccnc2-c2nn[n-]n2)CCOCC1 ZINC001574095939 949158527 /nfs/dbraw/zinc/15/85/27/949158527.db2.gz ZTCJNHBAIMHJFB-CHWSQXEVSA-N -1 1 386.460 1.026 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001573787348 949174799 /nfs/dbraw/zinc/17/47/99/949174799.db2.gz UUULEGXRHRQLJO-KYZUINATSA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001573787348 949174812 /nfs/dbraw/zinc/17/48/12/949174812.db2.gz UUULEGXRHRQLJO-KYZUINATSA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)c1ccccc1 ZINC001573787597 949183947 /nfs/dbraw/zinc/18/39/47/949183947.db2.gz YNXSRNMBKXRLBJ-HALDLXJZSA-N -1 1 390.451 1.185 20 0 GDADMM CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)c1ccccc1 ZINC001573787597 949183965 /nfs/dbraw/zinc/18/39/65/949183965.db2.gz YNXSRNMBKXRLBJ-HALDLXJZSA-N -1 1 390.451 1.185 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H](C)c1cccc(F)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574698318 949187299 /nfs/dbraw/zinc/18/72/99/949187299.db2.gz JAQQUILJIKKKSL-VXGBXAGGSA-N -1 1 384.419 1.280 20 0 GDADMM C[C@H](NC(=O)C1(F)CCCC1)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575254651 949206356 /nfs/dbraw/zinc/20/63/56/949206356.db2.gz NNMVVFFSSBAOJH-STQMWFEESA-N -1 1 388.451 1.660 20 0 GDADMM C[C@H](NC(=O)C1(F)CCCC1)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575254651 949206379 /nfs/dbraw/zinc/20/63/79/949206379.db2.gz NNMVVFFSSBAOJH-STQMWFEESA-N -1 1 388.451 1.660 20 0 GDADMM C[C@H](CNC(=O)Cc1cc(F)ccc1F)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574935757 949206498 /nfs/dbraw/zinc/20/64/98/949206498.db2.gz GAZIZSAXPJLGJY-JTQLQIEISA-N -1 1 388.382 1.342 20 0 GDADMM C[C@H](CNC(=O)Cc1cc(F)ccc1F)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574935757 949206516 /nfs/dbraw/zinc/20/65/16/949206516.db2.gz GAZIZSAXPJLGJY-JTQLQIEISA-N -1 1 388.382 1.342 20 0 GDADMM CC[C@]1(C(=O)[O-])CCCN(CC(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)C1 ZINC001589604295 949220269 /nfs/dbraw/zinc/22/02/69/949220269.db2.gz ALQQQAHGLTWDIP-SFHVURJKSA-N -1 1 397.497 1.418 20 0 GDADMM C[C@@H]1CCC[C@@H](OCC(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001576151971 949235635 /nfs/dbraw/zinc/23/56/35/949235635.db2.gz HGRYZQMDUVSETK-TZMCWYRMSA-N -1 1 390.513 1.824 20 0 GDADMM C[C@H](NC(=O)C1(C)CCCC1)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575256128 949244554 /nfs/dbraw/zinc/24/45/54/949244554.db2.gz SUIVBAPNSHKOIB-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](NC(=O)C1(C)CCCC1)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575256128 949244574 /nfs/dbraw/zinc/24/45/74/949244574.db2.gz SUIVBAPNSHKOIB-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C)C(=O)C(=O)NCCC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001573792566 949252646 /nfs/dbraw/zinc/25/26/46/949252646.db2.gz AQXFPGYHFZWOIX-GFCCVEGCSA-N -1 1 386.460 1.137 20 0 GDADMM CC(C)(C)C(=O)C(=O)NCCC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001573792566 949252665 /nfs/dbraw/zinc/25/26/65/949252665.db2.gz AQXFPGYHFZWOIX-GFCCVEGCSA-N -1 1 386.460 1.137 20 0 GDADMM C[C@@H](CNC(=O)Cc1cc(F)ccc1F)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574938701 949253526 /nfs/dbraw/zinc/25/35/26/949253526.db2.gz ZGDMVOQMAMAVBQ-JTQLQIEISA-N -1 1 388.382 1.119 20 0 GDADMM C[C@@H](CNC(=O)Cc1cc(F)ccc1F)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574938701 949253540 /nfs/dbraw/zinc/25/35/40/949253540.db2.gz ZGDMVOQMAMAVBQ-JTQLQIEISA-N -1 1 388.382 1.119 20 0 GDADMM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc2c1OCC(=O)N2 ZINC000378018055 971566733 /nfs/dbraw/zinc/56/67/33/971566733.db2.gz MTHCTVPEWCIXFJ-UHFFFAOYSA-N -1 1 380.353 1.964 20 0 GDADMM C[C@@H](CN(C)C(=O)C1(C(F)F)CCCC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574701786 949268192 /nfs/dbraw/zinc/26/81/92/949268192.db2.gz DJNPAJYAZPIVER-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CN(C)C(=O)C1(C(F)F)CCCC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574701786 949268217 /nfs/dbraw/zinc/26/82/17/949268217.db2.gz DJNPAJYAZPIVER-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)n1cc(C(=O)N[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C2CC2)cn1 ZINC001574452981 949272680 /nfs/dbraw/zinc/27/26/80/949272680.db2.gz UIEJCWNOGJODAI-AWEZNQCLSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cc(C(=O)N[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C2CC2)cn1 ZINC001574452981 949272698 /nfs/dbraw/zinc/27/26/98/949272698.db2.gz UIEJCWNOGJODAI-AWEZNQCLSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H](C)NC(=O)C1CCC(F)(F)CC1 ZINC001575257554 949278028 /nfs/dbraw/zinc/27/80/28/949278028.db2.gz AIPNPZHLZXFPPP-ZJUUUORDSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)C1CCC(F)(F)CC1 ZINC001575257554 949278045 /nfs/dbraw/zinc/27/80/45/949278045.db2.gz AIPNPZHLZXFPPP-ZJUUUORDSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc[nH]1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574940984 949284026 /nfs/dbraw/zinc/28/40/26/949284026.db2.gz NPTBNXGYQNHDLE-MRVPVSSYSA-N -1 1 380.865 1.712 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc[nH]1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574940984 949284044 /nfs/dbraw/zinc/28/40/44/949284044.db2.gz NPTBNXGYQNHDLE-MRVPVSSYSA-N -1 1 380.865 1.712 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccoc1 ZINC001576153741 949297687 /nfs/dbraw/zinc/29/76/87/949297687.db2.gz AMINPLMAUODZQM-KPZWWZAWSA-N -1 1 382.428 1.462 20 0 GDADMM CC1(C(=O)N(CCNc2ccnc(-c3nn[n-]n3)n2)Cc2ccccc2)CCC1 ZINC001575524430 949316784 /nfs/dbraw/zinc/31/67/84/949316784.db2.gz IRYYFCUXLBVSOR-UHFFFAOYSA-N -1 1 392.467 1.710 20 0 GDADMM C[C@H](CN(C)C(=O)C1(Cc2ccccc2)CC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574703258 949317150 /nfs/dbraw/zinc/31/71/50/949317150.db2.gz TVFMFOZBZGWDCK-CQSZACIVSA-N -1 1 392.467 1.938 20 0 GDADMM C[C@H](CN(C)C(=O)C1(Cc2ccccc2)CC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574703258 949317166 /nfs/dbraw/zinc/31/71/66/949317166.db2.gz TVFMFOZBZGWDCK-CQSZACIVSA-N -1 1 392.467 1.938 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc2c(c1)CCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001574942133 949340638 /nfs/dbraw/zinc/34/06/38/949340638.db2.gz WDUFBYLRJMQHIY-GFCCVEGCSA-N -1 1 378.440 1.305 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc2c(c1)CCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001574942133 949340659 /nfs/dbraw/zinc/34/06/59/949340659.db2.gz WDUFBYLRJMQHIY-GFCCVEGCSA-N -1 1 378.440 1.305 20 0 GDADMM C[C@@H](NC(=O)C1CCC(F)(F)CC1)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575259925 949344350 /nfs/dbraw/zinc/34/43/50/949344350.db2.gz SLQOBMZVDNAOEN-VHSXEESVSA-N -1 1 380.403 1.209 20 0 GDADMM C[C@@H](CN(C)C(=O)C1(Cc2ccccc2)CC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574703795 949352938 /nfs/dbraw/zinc/35/29/38/949352938.db2.gz YIRCVPKQUZGSDV-AWEZNQCLSA-N -1 1 392.467 1.938 20 0 GDADMM C[C@@H](CN(C)C(=O)C1(Cc2ccccc2)CC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574703795 949352960 /nfs/dbraw/zinc/35/29/60/949352960.db2.gz YIRCVPKQUZGSDV-AWEZNQCLSA-N -1 1 392.467 1.938 20 0 GDADMM C[C@@H]1CCC[C@H](C(=O)N(C)C2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001576154654 949353534 /nfs/dbraw/zinc/35/35/34/949353534.db2.gz QWYGSKWTANOOCD-KGLIPLIRSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCC[C@H](C(=O)N(C)C2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001576154654 949353554 /nfs/dbraw/zinc/35/35/54/949353554.db2.gz QWYGSKWTANOOCD-KGLIPLIRSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)n1cccc1C(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574460394 949372641 /nfs/dbraw/zinc/37/26/41/949372641.db2.gz UFSFNXMYQYUOIA-CYBMUJFWSA-N -1 1 381.444 1.390 20 0 GDADMM CC1(C(=O)N2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3CN2c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575527708 949378381 /nfs/dbraw/zinc/37/83/81/949378381.db2.gz GCUMMBJCAWRTIU-XFMPKHEZSA-N -1 1 380.456 1.130 20 0 GDADMM CC1(C(=O)N2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3CN2c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575527708 949378401 /nfs/dbraw/zinc/37/84/01/949378401.db2.gz GCUMMBJCAWRTIU-XFMPKHEZSA-N -1 1 380.456 1.130 20 0 GDADMM C[C@H]1CCC[C@@H](C(=O)NC2(C)CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576155048 949381302 /nfs/dbraw/zinc/38/13/02/949381302.db2.gz SLKJTRLEFDNUBH-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCC[C@@H](C(=O)NC2(C)CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001576155048 949381324 /nfs/dbraw/zinc/38/13/24/949381324.db2.gz SLKJTRLEFDNUBH-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2(C(F)F)CC2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575865840 949384230 /nfs/dbraw/zinc/38/42/30/949384230.db2.gz BZQQGOBGCKXYNN-ZJUUUORDSA-N -1 1 378.387 1.176 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2(C(F)F)CC2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575865840 949384248 /nfs/dbraw/zinc/38/42/48/949384248.db2.gz BZQQGOBGCKXYNN-ZJUUUORDSA-N -1 1 378.387 1.176 20 0 GDADMM C[C@H]1CCCC[C@@H]1C(=O)N(C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576155288 949393578 /nfs/dbraw/zinc/39/35/78/949393578.db2.gz HTNZRTRUCLITRQ-ZFWWWQNUSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CCCC[C@@H]1C(=O)N(C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576155288 949393600 /nfs/dbraw/zinc/39/36/00/949393600.db2.gz HTNZRTRUCLITRQ-ZFWWWQNUSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](NC(=O)C1Cc2ccccc2C1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575263586 949402678 /nfs/dbraw/zinc/40/26/78/949402678.db2.gz IGFYDHFABOGZPV-NWDGAFQWSA-N -1 1 378.440 1.377 20 0 GDADMM C[C@@H](NC(=O)C1Cc2ccccc2C1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575263586 949402691 /nfs/dbraw/zinc/40/26/91/949402691.db2.gz IGFYDHFABOGZPV-NWDGAFQWSA-N -1 1 378.440 1.377 20 0 GDADMM CC(C)(C)C(=O)NC[C@H]1c2ccccc2CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001573802053 949407633 /nfs/dbraw/zinc/40/76/33/949407633.db2.gz CXLWLPSAKOYTSU-INIZCTEOSA-N -1 1 392.467 1.923 20 0 GDADMM CC(C)(C)C(=O)NC[C@H]1c2ccccc2CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001573802053 949407647 /nfs/dbraw/zinc/40/76/47/949407647.db2.gz CXLWLPSAKOYTSU-INIZCTEOSA-N -1 1 392.467 1.923 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1CCCOC1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574704905 949413061 /nfs/dbraw/zinc/41/30/61/949413061.db2.gz FXKIQDTWYHFFBQ-BDAKNGLRSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1CCCOC1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574704905 949413076 /nfs/dbraw/zinc/41/30/76/949413076.db2.gz FXKIQDTWYHFFBQ-BDAKNGLRSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1CCCOC1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574704908 949413901 /nfs/dbraw/zinc/41/39/01/949413901.db2.gz FXKIQDTWYHFFBQ-RKDXNWHRSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1CCCOC1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574704908 949413912 /nfs/dbraw/zinc/41/39/12/949413912.db2.gz FXKIQDTWYHFFBQ-RKDXNWHRSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2(C(F)F)CC2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575867315 949434145 /nfs/dbraw/zinc/43/41/45/949434145.db2.gz JEMHILSUZCJSJM-VHSXEESVSA-N -1 1 378.387 1.176 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2(C(F)F)CC2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575867315 949434155 /nfs/dbraw/zinc/43/41/55/949434155.db2.gz JEMHILSUZCJSJM-VHSXEESVSA-N -1 1 378.387 1.176 20 0 GDADMM C[C@H]1CCC[C@H](OCC(=O)N(C)CCN(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576156454 949445917 /nfs/dbraw/zinc/44/59/17/949445917.db2.gz YNCSQXBKJRDGET-KBPBESRZSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@H]1CCC[C@H](OCC(=O)N(C)CCN(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576156454 949445928 /nfs/dbraw/zinc/44/59/28/949445928.db2.gz YNCSQXBKJRDGET-KBPBESRZSA-N -1 1 388.476 1.147 20 0 GDADMM CC(C)(C)C(=O)NC[C@@H]1[C@H]2CN(c3snc(Cl)c3-c3nnn[n-]3)C[C@H]21 ZINC001573803668 949446989 /nfs/dbraw/zinc/44/69/89/949446989.db2.gz PDIGUFGDRYJOLZ-PSVAKVPMSA-N -1 1 381.893 1.821 20 0 GDADMM CC(C)(C)C(=O)NC[C@@H]1[C@H]2CN(c3snc(Cl)c3-c3nn[n-]n3)C[C@H]21 ZINC001573803668 949447011 /nfs/dbraw/zinc/44/70/11/949447011.db2.gz PDIGUFGDRYJOLZ-PSVAKVPMSA-N -1 1 381.893 1.821 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1=CCCC1 ZINC001576156577 949449017 /nfs/dbraw/zinc/44/90/17/949449017.db2.gz NDQXWCNFYOWNCY-DJJJIMSYSA-N -1 1 382.472 1.666 20 0 GDADMM CC1(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2cncc(-c3nnn[n-]3)n2)CCCC1 ZINC001575535608 949454188 /nfs/dbraw/zinc/45/41/88/949454188.db2.gz ZGGQYKCSXFCHNR-OKILXGFUSA-N -1 1 382.472 1.807 20 0 GDADMM CC1(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2cncc(-c3nn[n-]n3)n2)CCCC1 ZINC001575535608 949454204 /nfs/dbraw/zinc/45/42/04/949454204.db2.gz ZGGQYKCSXFCHNR-OKILXGFUSA-N -1 1 382.472 1.807 20 0 GDADMM C[C@@H]1CCC[C@H](OCC(=O)N(C)CCN(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576156878 949464657 /nfs/dbraw/zinc/46/46/57/949464657.db2.gz XIDQSALDWYIBKS-KGLIPLIRSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@@H]1CCC[C@H](OCC(=O)N(C)CCN(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576156878 949464667 /nfs/dbraw/zinc/46/46/67/949464667.db2.gz XIDQSALDWYIBKS-KGLIPLIRSA-N -1 1 388.476 1.147 20 0 GDADMM CC1(C(=O)N2CCC(O)(CNc3nccnc3-c3nnn[n-]3)CC2)CCCC1 ZINC001575536785 949476950 /nfs/dbraw/zinc/47/69/50/949476950.db2.gz LUNRGSYKKGHMEG-UHFFFAOYSA-N -1 1 386.460 1.002 20 0 GDADMM CC1(C(=O)N2CCC(O)(CNc3nccnc3-c3nn[n-]n3)CC2)CCCC1 ZINC001575536785 949476963 /nfs/dbraw/zinc/47/69/63/949476963.db2.gz LUNRGSYKKGHMEG-UHFFFAOYSA-N -1 1 386.460 1.002 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1CCCc2ccccc21)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574707854 949479758 /nfs/dbraw/zinc/47/97/58/949479758.db2.gz RDSWFWQWGLPHDA-BBRMVZONSA-N -1 1 392.467 1.458 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cc[nH]c1 ZINC001576157458 949483208 /nfs/dbraw/zinc/48/32/08/949483208.db2.gz QUFUAYVNZDSPPQ-SGTLLEGYSA-N -1 1 381.444 1.776 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cc[nH]c1 ZINC001576157458 949483217 /nfs/dbraw/zinc/48/32/17/949483217.db2.gz QUFUAYVNZDSPPQ-SGTLLEGYSA-N -1 1 381.444 1.776 20 0 GDADMM CC(C)(C)C(=O)NCc1ccc(CCNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001573806529 949495497 /nfs/dbraw/zinc/49/54/97/949495497.db2.gz SIUKNOSMEFQYEU-UHFFFAOYSA-N -1 1 380.456 1.974 20 0 GDADMM CC(C)(C)C(=O)NCc1ccc(CCNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001573806529 949495508 /nfs/dbraw/zinc/49/55/08/949495508.db2.gz SIUKNOSMEFQYEU-UHFFFAOYSA-N -1 1 380.456 1.974 20 0 GDADMM C[C@H]1CCC[C@H]1CC(=O)NC1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576158815 949506505 /nfs/dbraw/zinc/50/65/05/949506505.db2.gz UTJWZUCGKMWLOK-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCC[C@@H]1CC(=O)NCCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001576159052 949510614 /nfs/dbraw/zinc/51/06/14/949510614.db2.gz WBUNAUZGZSFCDA-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1[C@H](NC(=O)C(C2CC2)C2CC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575871122 949511704 /nfs/dbraw/zinc/51/17/04/949511704.db2.gz ZDJDGUJWNBIIHA-SMDDNHRTSA-N -1 1 382.472 1.566 20 0 GDADMM C[C@H]1[C@H](NC(=O)C(C2CC2)C2CC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575871122 949511720 /nfs/dbraw/zinc/51/17/20/949511720.db2.gz ZDJDGUJWNBIIHA-SMDDNHRTSA-N -1 1 382.472 1.566 20 0 GDADMM C[C@@]1(C(=O)N2CCC[C@H](CCNc3nccnc3-c3nnn[n-]3)C2)CCOC1 ZINC001575538185 949514091 /nfs/dbraw/zinc/51/40/91/949514091.db2.gz DQQUJBLGURGWJP-FZKQIMNGSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@@]1(C(=O)N2CCC[C@H](CCNc3nccnc3-c3nn[n-]n3)C2)CCOC1 ZINC001575538185 949514111 /nfs/dbraw/zinc/51/41/11/949514111.db2.gz DQQUJBLGURGWJP-FZKQIMNGSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@H](NC(=O)CC1(C(F)(F)F)CC1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575268798 949531753 /nfs/dbraw/zinc/53/17/53/949531753.db2.gz PHTKYVOYROBKMQ-IUCAKERBSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@H](NC(=O)CC1(C(F)(F)F)CC1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575268798 949531770 /nfs/dbraw/zinc/53/17/70/949531770.db2.gz PHTKYVOYROBKMQ-IUCAKERBSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1COc2ccccc21)Nc1nccnc1-c1nnn[n-]1 ZINC001574711793 949554236 /nfs/dbraw/zinc/55/42/36/949554236.db2.gz MJEGWTIAIKIAJZ-AAEUAGOBSA-N -1 1 380.412 1.092 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1COc2ccccc21)Nc1nccnc1-c1nn[n-]n1 ZINC001574711793 949554250 /nfs/dbraw/zinc/55/42/50/949554250.db2.gz MJEGWTIAIKIAJZ-AAEUAGOBSA-N -1 1 380.412 1.092 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CC2CC(F)(F)C2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575873102 949566567 /nfs/dbraw/zinc/56/65/67/949566567.db2.gz NHJVPTIYXHFDLA-JQWIXIFHSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CC2CC(F)(F)C2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575873102 949566584 /nfs/dbraw/zinc/56/65/84/949566584.db2.gz NHJVPTIYXHFDLA-JQWIXIFHSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H]1CCCN(C(=O)C2=CCOCC2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576165914 949572892 /nfs/dbraw/zinc/57/28/92/949572892.db2.gz KKOQBPLTJJORMP-SWLSCSKDSA-N -1 1 384.444 1.042 20 0 GDADMM C[C@H]1CCCN(C(=O)C2=CCOCC2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576165914 949572920 /nfs/dbraw/zinc/57/29/20/949572920.db2.gz KKOQBPLTJJORMP-SWLSCSKDSA-N -1 1 384.444 1.042 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CCn2cccc2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575873289 949576698 /nfs/dbraw/zinc/57/66/98/949576698.db2.gz AVCRBUBVAIFVAB-ZIAGYGMSSA-N -1 1 381.444 1.022 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC(F)(F)F)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576166072 949579502 /nfs/dbraw/zinc/57/95/02/949579502.db2.gz LAVNXFSJZMIWPW-KOLCDFICSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC(F)(F)F)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576166072 949579517 /nfs/dbraw/zinc/57/95/17/949579517.db2.gz LAVNXFSJZMIWPW-KOLCDFICSA-N -1 1 384.366 1.648 20 0 GDADMM CC1(C(=O)N2CCC[C@]3(CCN(c4nccnc4-c4nnn[n-]4)C3)C2)CCC1 ZINC001575544230 949581240 /nfs/dbraw/zinc/58/12/40/949581240.db2.gz BTGZWKNBSYYWJZ-LJQANCHMSA-N -1 1 382.472 1.666 20 0 GDADMM CC1(C(=O)N2CCC[C@]3(CCN(c4nccnc4-c4nn[n-]n4)C3)C2)CCC1 ZINC001575544230 949581255 /nfs/dbraw/zinc/58/12/55/949581255.db2.gz BTGZWKNBSYYWJZ-LJQANCHMSA-N -1 1 382.472 1.666 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CC(C)(C)C2CC2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575873447 949581257 /nfs/dbraw/zinc/58/12/57/949581257.db2.gz PGUABZOMBOYOSQ-TZMCWYRMSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CC(C)(C)C2CC2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575873447 949581271 /nfs/dbraw/zinc/58/12/71/949581271.db2.gz PGUABZOMBOYOSQ-TZMCWYRMSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@@H](NC(=O)CC1(c2ccccc2)CC1)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575270231 949582385 /nfs/dbraw/zinc/58/23/85/949582385.db2.gz YWFPFDDYSUMKBI-UONOGXRCSA-N -1 1 392.467 1.506 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2CCOCC2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576166691 949589022 /nfs/dbraw/zinc/58/90/22/949589022.db2.gz NQDYFLZIUCJCLL-IUODEOHRSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2CCOCC2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576166691 949589032 /nfs/dbraw/zinc/58/90/32/949589032.db2.gz NQDYFLZIUCJCLL-IUODEOHRSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2C=CC=CC=C2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575874095 949600662 /nfs/dbraw/zinc/60/06/62/949600662.db2.gz REGOFPALLXQYQF-DZGCQCFKSA-N -1 1 378.440 1.429 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2C=CC=CC=C2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575874095 949600683 /nfs/dbraw/zinc/60/06/83/949600683.db2.gz REGOFPALLXQYQF-DZGCQCFKSA-N -1 1 378.440 1.429 20 0 GDADMM C[C@@]1(C(=O)N2CCCC[C@H]2CNc2nccnc2-c2nnn[n-]2)CCCOC1 ZINC001575545881 949604461 /nfs/dbraw/zinc/60/44/61/949604461.db2.gz NMNOCONWSMEPDC-SCLBCKFNSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@@]1(C(=O)N2CCCC[C@H]2CNc2nccnc2-c2nn[n-]n2)CCCOC1 ZINC001575545881 949604474 /nfs/dbraw/zinc/60/44/74/949604474.db2.gz NMNOCONWSMEPDC-SCLBCKFNSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001574476773 949621774 /nfs/dbraw/zinc/62/17/74/949621774.db2.gz JUVCFHCISGZJEU-KBPBESRZSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001574476773 949621790 /nfs/dbraw/zinc/62/17/90/949621790.db2.gz JUVCFHCISGZJEU-KBPBESRZSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574957660 949627022 /nfs/dbraw/zinc/62/70/22/949627022.db2.gz FCCLATWQNPDJLI-SPKLELGKSA-N -1 1 378.440 1.551 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574957660 949627039 /nfs/dbraw/zinc/62/70/39/949627039.db2.gz FCCLATWQNPDJLI-SPKLELGKSA-N -1 1 378.440 1.551 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@@H]1CCC(C)(C)CO1)Nc1nccnc1-c1nnn[n-]1 ZINC001574714436 949628900 /nfs/dbraw/zinc/62/89/00/949628900.db2.gz DATQKOPEALSBLA-STQMWFEESA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@@H]1CCC(C)(C)CO1)Nc1nccnc1-c1nn[n-]n1 ZINC001574714436 949628910 /nfs/dbraw/zinc/62/89/10/949628910.db2.gz DATQKOPEALSBLA-STQMWFEESA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1)CNc1nccnc1-c1nnn[n-]1 ZINC001574957861 949636307 /nfs/dbraw/zinc/63/63/07/949636307.db2.gz BBUKSAAVBJDOQB-AEGPPILISA-N -1 1 378.440 1.625 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1)CNc1nccnc1-c1nn[n-]n1 ZINC001574957861 949636326 /nfs/dbraw/zinc/63/63/26/949636326.db2.gz BBUKSAAVBJDOQB-AEGPPILISA-N -1 1 378.440 1.625 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cc(Cl)no1 ZINC001573814185 949639847 /nfs/dbraw/zinc/63/98/47/949639847.db2.gz BBEMWDZTMLKXOD-SNVBAGLBSA-N -1 1 391.823 1.555 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cc(Cl)no1 ZINC001573814185 949639856 /nfs/dbraw/zinc/63/98/56/949639856.db2.gz BBEMWDZTMLKXOD-SNVBAGLBSA-N -1 1 391.823 1.555 20 0 GDADMM C[C@H]1[C@H](NC(=O)COC2CCCC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575876122 949640054 /nfs/dbraw/zinc/64/00/54/949640054.db2.gz JDSUOHXIVACXCY-GXTWGEPZSA-N -1 1 386.460 1.089 20 0 GDADMM C[C@H]1[C@@H](NC(=O)COC2CCCC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575876127 949640735 /nfs/dbraw/zinc/64/07/35/949640735.db2.gz JDSUOHXIVACXCY-JSGCOSHPSA-N -1 1 386.460 1.089 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574958040 949648292 /nfs/dbraw/zinc/64/82/92/949648292.db2.gz DHVZXLKPZBHOFR-LEWSCRJBSA-N -1 1 382.403 1.516 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574958040 949648310 /nfs/dbraw/zinc/64/83/10/949648310.db2.gz DHVZXLKPZBHOFR-LEWSCRJBSA-N -1 1 382.403 1.516 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[nH]n2)nn1)NC(=O)c1ncccc1[O-] ZINC001573815514 949652723 /nfs/dbraw/zinc/65/27/23/949652723.db2.gz IELUXUXIIOECMN-GFCCVEGCSA-N -1 1 383.416 1.014 20 0 GDADMM C[C@H]1CCCC[C@H]1C(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001576168912 949654759 /nfs/dbraw/zinc/65/47/59/949654759.db2.gz HBZVYKSYFMYRTB-BYNSBNAKSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H]1CCCC[C@H]1C(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001576168912 949654771 /nfs/dbraw/zinc/65/47/71/949654771.db2.gz HBZVYKSYFMYRTB-BYNSBNAKSA-N -1 1 382.472 1.378 20 0 GDADMM CC(C)CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1 ZINC001574131434 949655676 /nfs/dbraw/zinc/65/56/76/949655676.db2.gz FNKBYKVMUXTMAU-NFAWXSAZSA-N -1 1 384.488 1.955 20 0 GDADMM CC(C)CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1 ZINC001574131434 949655687 /nfs/dbraw/zinc/65/56/87/949655687.db2.gz FNKBYKVMUXTMAU-NFAWXSAZSA-N -1 1 384.488 1.955 20 0 GDADMM C[C@@H](CC(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1)c1ccccc1F ZINC001574477448 949657169 /nfs/dbraw/zinc/65/71/69/949657169.db2.gz ODJGTEONRYTURK-LBPRGKRZSA-N -1 1 384.419 1.860 20 0 GDADMM C[C@@H](CC(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1)c1ccccc1F ZINC001574477448 949657185 /nfs/dbraw/zinc/65/71/85/949657185.db2.gz ODJGTEONRYTURK-LBPRGKRZSA-N -1 1 384.419 1.860 20 0 GDADMM C[C@@H](NC(=O)CCCC1CCOCC1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575273328 949663844 /nfs/dbraw/zinc/66/38/44/949663844.db2.gz WDEHDQGDMFLSPA-QWHCGFSZSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@@H](NC(=O)CCCC1CCOCC1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575273328 949663859 /nfs/dbraw/zinc/66/38/59/949663859.db2.gz WDEHDQGDMFLSPA-QWHCGFSZSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H]1CCCC[C@H]1CC(=O)NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001576169323 949677043 /nfs/dbraw/zinc/67/70/43/949677043.db2.gz JGRXBXUHPBRNKB-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCCC[C@H]1CC(=O)NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001576169323 949677066 /nfs/dbraw/zinc/67/70/66/949677066.db2.gz JGRXBXUHPBRNKB-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CN(C)C(=O)CC1(C(F)(F)F)CC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574716154 949685585 /nfs/dbraw/zinc/68/55/85/949685585.db2.gz NIDVTNHXQYAGPH-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](CN(C)C(=O)CC1(C(F)(F)F)CC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574716154 949685604 /nfs/dbraw/zinc/68/56/04/949685604.db2.gz NIDVTNHXQYAGPH-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](CC(=O)N(C)CCCN(C)c1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCCO1 ZINC001574477967 949688679 /nfs/dbraw/zinc/68/86/79/949688679.db2.gz WNSKLPQRRDMYMQ-KBPBESRZSA-N -1 1 388.476 1.147 20 0 GDADMM CC(C)CC(C)(C)C(=O)NC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001574132420 949700253 /nfs/dbraw/zinc/70/02/53/949700253.db2.gz ZIIULLBIKXEZQO-ZDUSSCGKSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)CC(C)(C)C(=O)NC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001574132420 949700265 /nfs/dbraw/zinc/70/02/65/949700265.db2.gz ZIIULLBIKXEZQO-ZDUSSCGKSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CCCOCC1 ZINC001573817865 949706737 /nfs/dbraw/zinc/70/67/37/949706737.db2.gz BYZMAUFNAPJYNO-OCCSQVGLSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCCOCC1 ZINC001573817865 949706747 /nfs/dbraw/zinc/70/67/47/949706747.db2.gz BYZMAUFNAPJYNO-OCCSQVGLSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@H](CC(=O)N(C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccccc1 ZINC001574478413 949708002 /nfs/dbraw/zinc/70/80/02/949708002.db2.gz ZCFNYYYBUHQFNL-GDBMZVCRSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@H](CC(=O)N(C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccccc1 ZINC001574478413 949708026 /nfs/dbraw/zinc/70/80/26/949708026.db2.gz ZCFNYYYBUHQFNL-GDBMZVCRSA-N -1 1 392.467 1.888 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CC1CCOCC1 ZINC001573817853 949708703 /nfs/dbraw/zinc/70/87/03/949708703.db2.gz BWKGTRDVPFSCTN-AWEZNQCLSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CC1CCOCC1 ZINC001573817853 949708709 /nfs/dbraw/zinc/70/87/09/949708709.db2.gz BWKGTRDVPFSCTN-AWEZNQCLSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CCc2ccoc2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575881454 949719440 /nfs/dbraw/zinc/71/94/40/949719440.db2.gz XTNUAQDHZYKWCB-OCCSQVGLSA-N -1 1 382.428 1.356 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CCc2ccoc2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575881454 949719450 /nfs/dbraw/zinc/71/94/50/949719450.db2.gz XTNUAQDHZYKWCB-OCCSQVGLSA-N -1 1 382.428 1.356 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001574479089 949730536 /nfs/dbraw/zinc/73/05/36/949730536.db2.gz CSSGJPILAVMYLO-CFVMTHIKSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001574479089 949730548 /nfs/dbraw/zinc/73/05/48/949730548.db2.gz CSSGJPILAVMYLO-CFVMTHIKSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H]1CCCN(C(=O)CCC(F)F)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576170682 949733319 /nfs/dbraw/zinc/73/33/19/949733319.db2.gz NCFXCLRPTZFFMN-PWSUYJOCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H]1CCCN(C(=O)CCC(F)F)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576170682 949733339 /nfs/dbraw/zinc/73/33/39/949733339.db2.gz NCFXCLRPTZFFMN-PWSUYJOCSA-N -1 1 380.403 1.741 20 0 GDADMM CC1(C(=O)N[C@H](CNc2nccnc2-c2nnn[n-]2)C2CC2)CC(F)(F)C1 ZINC001575558480 949737413 /nfs/dbraw/zinc/73/74/13/949737413.db2.gz PZPSRKQYFVMPJC-SNVBAGLBSA-N -1 1 378.387 1.399 20 0 GDADMM CC1(C(=O)N[C@H](CNc2nccnc2-c2nn[n-]n2)C2CC2)CC(F)(F)C1 ZINC001575558480 949737440 /nfs/dbraw/zinc/73/74/40/949737440.db2.gz PZPSRKQYFVMPJC-SNVBAGLBSA-N -1 1 378.387 1.399 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001574136737 949749929 /nfs/dbraw/zinc/74/99/29/949749929.db2.gz QNEUJLNDWMQDGL-SOUVJXGZSA-N -1 1 384.488 1.909 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001574136737 949749943 /nfs/dbraw/zinc/74/99/43/949749943.db2.gz QNEUJLNDWMQDGL-SOUVJXGZSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@@H]1CCOC1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574718052 949756623 /nfs/dbraw/zinc/75/66/23/949756623.db2.gz RMTIICJGRVPJAE-IUCAKERBSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@@H]1CCOC1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574718052 949756639 /nfs/dbraw/zinc/75/66/39/949756639.db2.gz RMTIICJGRVPJAE-IUCAKERBSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@H]1CCCN(C(=O)Cc2ccc[nH]2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576171341 949758191 /nfs/dbraw/zinc/75/81/91/949758191.db2.gz QKWPOVKBTJWPSR-WFASDCNBSA-N -1 1 381.444 1.267 20 0 GDADMM C[C@H]1CCCN(C(=O)Cc2ccc[nH]2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576171341 949758215 /nfs/dbraw/zinc/75/82/15/949758215.db2.gz QKWPOVKBTJWPSR-WFASDCNBSA-N -1 1 381.444 1.267 20 0 GDADMM C[C@H](CC(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1)[C@H]1CCCO1 ZINC001574480833 949758706 /nfs/dbraw/zinc/75/87/06/949758706.db2.gz KEKGCTMDNALWGK-IUODEOHRSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H](CC(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1)[C@H]1CCCO1 ZINC001574480833 949758720 /nfs/dbraw/zinc/75/87/20/949758720.db2.gz KEKGCTMDNALWGK-IUODEOHRSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574480933 949762225 /nfs/dbraw/zinc/76/22/25/949762225.db2.gz LOVLQSKHCVUJEQ-CHWSQXEVSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@@H]1CCCN(C(=O)CCC(F)F)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576171508 949765644 /nfs/dbraw/zinc/76/56/44/949765644.db2.gz RNKQKZQFYIPRBD-GHMZBOCLSA-N -1 1 380.403 1.163 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@]1(C)CCCOC1 ZINC001575559869 949768288 /nfs/dbraw/zinc/76/82/88/949768288.db2.gz YMLCLWIPRMIGBR-KZULUSFZSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@]1(C)CCCOC1 ZINC001575559869 949768303 /nfs/dbraw/zinc/76/83/03/949768303.db2.gz YMLCLWIPRMIGBR-KZULUSFZSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@@H](CNC(=O)[C@H]1C[C@@H]1C(F)F)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574964814 949786995 /nfs/dbraw/zinc/78/69/95/949786995.db2.gz ABGSYBBLRNZSLC-ACZMJKKPSA-N -1 1 391.835 1.819 20 0 GDADMM CC(C)C[C@H](C)CC(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001574138413 949788073 /nfs/dbraw/zinc/78/80/73/949788073.db2.gz BZSGRKZUCFIVMU-ZQDZILKHSA-N -1 1 384.488 1.527 20 0 GDADMM CC(C)C[C@H](C)CC(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001574138413 949788084 /nfs/dbraw/zinc/78/80/84/949788084.db2.gz BZSGRKZUCFIVMU-ZQDZILKHSA-N -1 1 384.488 1.527 20 0 GDADMM C[C@H]1CCCN(C(=O)CCC2CC2)[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576172119 949794366 /nfs/dbraw/zinc/79/43/66/949794366.db2.gz VGFFLRFIXSABNM-ZFWWWQNUSA-N -1 1 384.488 1.698 20 0 GDADMM C[C@@H](CNC(=O)c1c(F)cc(F)cc1F)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574965266 949797307 /nfs/dbraw/zinc/79/73/07/949797307.db2.gz DZEUJZZACOLODP-QMMMGPOBSA-N -1 1 392.345 1.329 20 0 GDADMM C[C@@H](CNC(=O)c1c(F)cc(F)cc1F)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574965266 949797329 /nfs/dbraw/zinc/79/73/29/949797329.db2.gz DZEUJZZACOLODP-QMMMGPOBSA-N -1 1 392.345 1.329 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccncc1F ZINC001573822743 949801531 /nfs/dbraw/zinc/80/15/31/949801531.db2.gz LMLUPPRBQFJUEL-ZDUSSCGKSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccncc1F ZINC001573822743 949801559 /nfs/dbraw/zinc/80/15/59/949801559.db2.gz LMLUPPRBQFJUEL-ZDUSSCGKSA-N -1 1 385.407 1.447 20 0 GDADMM C[C@H](CN(C)C(=O)CCCc1cccs1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574720664 949801498 /nfs/dbraw/zinc/80/14/98/949801498.db2.gz FXGFKRFLWCPVDB-GFCCVEGCSA-N -1 1 386.485 1.422 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccncc1F ZINC001573822742 949802428 /nfs/dbraw/zinc/80/24/28/949802428.db2.gz LMLUPPRBQFJUEL-CYBMUJFWSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccncc1F ZINC001573822742 949802449 /nfs/dbraw/zinc/80/24/49/949802449.db2.gz LMLUPPRBQFJUEL-CYBMUJFWSA-N -1 1 385.407 1.447 20 0 GDADMM C[C@@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574965714 949810332 /nfs/dbraw/zinc/81/03/32/949810332.db2.gz KAVXWJRAFUFRBO-CFVMTHIKSA-N -1 1 378.440 1.401 20 0 GDADMM C[C@@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574965714 949810355 /nfs/dbraw/zinc/81/03/55/949810355.db2.gz KAVXWJRAFUFRBO-CFVMTHIKSA-N -1 1 378.440 1.401 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001574481976 949816841 /nfs/dbraw/zinc/81/68/41/949816841.db2.gz YHQWQJGAWRPTIA-NXEZZACHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574481976 949816858 /nfs/dbraw/zinc/81/68/58/949816858.db2.gz YHQWQJGAWRPTIA-NXEZZACHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@H](CN(C)C(=O)CCCc1ccccn1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574721487 949821920 /nfs/dbraw/zinc/82/19/20/949821920.db2.gz MIKPCQBHTWHMTM-CYBMUJFWSA-N -1 1 381.444 1.333 20 0 GDADMM C[C@H](CN(C)C(=O)CCCc1ccccn1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574721487 949821945 /nfs/dbraw/zinc/82/19/45/949821945.db2.gz MIKPCQBHTWHMTM-CYBMUJFWSA-N -1 1 381.444 1.333 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1 ZINC001574139913 949825094 /nfs/dbraw/zinc/82/50/94/949825094.db2.gz LJPTTYWRIMVCHZ-KQTLUZQSSA-N -1 1 384.488 1.955 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1 ZINC001574139913 949825117 /nfs/dbraw/zinc/82/51/17/949825117.db2.gz LJPTTYWRIMVCHZ-KQTLUZQSSA-N -1 1 384.488 1.955 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cc(Cl)c[nH]1 ZINC001573823794 949834825 /nfs/dbraw/zinc/83/48/25/949834825.db2.gz YQGXJJQGOPFAJM-LBPRGKRZSA-N -1 1 389.851 1.895 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cc(Cl)c[nH]1 ZINC001573823794 949834842 /nfs/dbraw/zinc/83/48/42/949834842.db2.gz YQGXJJQGOPFAJM-LBPRGKRZSA-N -1 1 389.851 1.895 20 0 GDADMM C[C@H]1CCCC[C@@H]1CC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576173385 949836316 /nfs/dbraw/zinc/83/63/16/949836316.db2.gz YFDCUCKWDVYWBM-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCCC[C@@H]1CC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576173385 949836342 /nfs/dbraw/zinc/83/63/42/949836342.db2.gz YFDCUCKWDVYWBM-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCCC[C@H]1C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001576173766 949843114 /nfs/dbraw/zinc/84/31/14/949843114.db2.gz YSIQKXHWAMVTQH-APIJFGDWSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2cc(Cl)c[nH]2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575885042 949860815 /nfs/dbraw/zinc/86/08/15/949860815.db2.gz KCODRABMTMUSSB-MWLCHTKSSA-N -1 1 387.835 1.426 20 0 GDADMM CC(C)(C)C12CC(C(=O)N[C@H]3CCN(c4nccnc4-c4nnn[n-]4)C3)(C1)C2 ZINC001573825203 949865432 /nfs/dbraw/zinc/86/54/32/949865432.db2.gz MUVGJYGPALDFJJ-RMEHTXHKSA-N -1 1 382.472 1.568 20 0 GDADMM CC(C)(C)C12CC(C(=O)N[C@H]3CCN(c4nccnc4-c4nn[n-]n4)C3)(C1)C2 ZINC001573825203 949865450 /nfs/dbraw/zinc/86/54/50/949865450.db2.gz MUVGJYGPALDFJJ-RMEHTXHKSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@]1(C(=O)NC2CCC(Nc3cnc(-c4nnn[n-]4)cn3)CC2)CCCOC1 ZINC001575564756 949867163 /nfs/dbraw/zinc/86/71/63/949867163.db2.gz SGEAEMXUECAQDD-PWGQDJSOSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@]1(C(=O)NC2CCC(Nc3cnc(-c4nn[n-]n4)cn3)CC2)CCCOC1 ZINC001575564756 949867183 /nfs/dbraw/zinc/86/71/83/949867183.db2.gz SGEAEMXUECAQDD-PWGQDJSOSA-N -1 1 386.460 1.313 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574143381 949890979 /nfs/dbraw/zinc/89/09/79/949890979.db2.gz GVJDSMHWKWZXSY-CQSZACIVSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574484648 949891580 /nfs/dbraw/zinc/89/15/80/949891580.db2.gz LFHOKGUOOAPSEY-ZJUUUORDSA-N -1 1 384.366 1.070 20 0 GDADMM C[C@@]1(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)CCCOC1 ZINC001575569083 949910572 /nfs/dbraw/zinc/91/05/72/949910572.db2.gz FTGVSXVDMQTUNQ-AUUYWEPGSA-N -1 1 388.447 1.513 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC001574485015 949918720 /nfs/dbraw/zinc/91/87/20/949918720.db2.gz USJZJJGQYQSNRY-CHWSQXEVSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC001574485015 949918731 /nfs/dbraw/zinc/91/87/31/949918731.db2.gz USJZJJGQYQSNRY-CHWSQXEVSA-N -1 1 382.428 1.846 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1 ZINC001574144969 949925752 /nfs/dbraw/zinc/92/57/52/949925752.db2.gz RLBNVKIPUNIEIM-GFCCVEGCSA-N -1 1 392.464 1.206 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1 ZINC001574144969 949925769 /nfs/dbraw/zinc/92/57/69/949925769.db2.gz RLBNVKIPUNIEIM-GFCCVEGCSA-N -1 1 392.464 1.206 20 0 GDADMM C[C@H](CC(=O)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)c1ccccc1 ZINC001574485576 949927890 /nfs/dbraw/zinc/92/78/90/949927890.db2.gz XYRBIXLSFMBXOH-OAHLLOKOSA-N -1 1 392.467 1.889 20 0 GDADMM C[C@H](CC(=O)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)c1ccccc1 ZINC001574485576 949927900 /nfs/dbraw/zinc/92/79/00/949927900.db2.gz XYRBIXLSFMBXOH-OAHLLOKOSA-N -1 1 392.467 1.889 20 0 GDADMM C[C@H](CC(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CCCC1)C1CC1 ZINC001574487743 949936304 /nfs/dbraw/zinc/93/63/04/949936304.db2.gz BQMZFRUBUXTTRZ-IUODEOHRSA-N -1 1 384.488 1.602 20 0 GDADMM CC(C)(C)/C=C\C(=O)NC1(CNc2ccc(-c3nnn[n-]3)nn2)CCOCC1 ZINC001573829408 949955321 /nfs/dbraw/zinc/95/53/21/949955321.db2.gz YZJXLNCFRYYRPB-SREVYHEPSA-N -1 1 386.460 1.336 20 0 GDADMM CC(C)(C)/C=C\C(=O)NC1(CNc2ccc(-c3nn[n-]n3)nn2)CCOCC1 ZINC001573829408 949955341 /nfs/dbraw/zinc/95/53/41/949955341.db2.gz YZJXLNCFRYYRPB-SREVYHEPSA-N -1 1 386.460 1.336 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccsn2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576180468 949956090 /nfs/dbraw/zinc/95/60/90/949956090.db2.gz IIUKFHFCZRZGGJ-ZWNOBZJWSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccsn2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576180468 949956102 /nfs/dbraw/zinc/95/61/02/949956102.db2.gz IIUKFHFCZRZGGJ-ZWNOBZJWSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](C)NC(=O)CN(C)c1ccccc1 ZINC001575285680 949957241 /nfs/dbraw/zinc/95/72/41/949957241.db2.gz PWCIPXBVSMDNRE-OLZOCXBDSA-N -1 1 381.444 1.098 20 0 GDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](C)NC(=O)CN(C)c1ccccc1 ZINC001575285680 949957260 /nfs/dbraw/zinc/95/72/60/949957260.db2.gz PWCIPXBVSMDNRE-OLZOCXBDSA-N -1 1 381.444 1.098 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H](C)NC(=O)CN(C)c1ccccc1 ZINC001575285902 949964584 /nfs/dbraw/zinc/96/45/84/949964584.db2.gz RQPMIVRVLJCIMW-QWHCGFSZSA-N -1 1 381.444 1.098 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H](C)NC(=O)CN(C)c1ccccc1 ZINC001575285902 949964600 /nfs/dbraw/zinc/96/46/00/949964600.db2.gz RQPMIVRVLJCIMW-QWHCGFSZSA-N -1 1 381.444 1.098 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2ccc(Cl)[nH]2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575890880 949967214 /nfs/dbraw/zinc/96/72/14/949967214.db2.gz AWCQTKZVUJGGLC-UWVGGRQHSA-N -1 1 387.835 1.426 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2ccc(Cl)[nH]2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575890880 949967227 /nfs/dbraw/zinc/96/72/27/949967227.db2.gz AWCQTKZVUJGGLC-UWVGGRQHSA-N -1 1 387.835 1.426 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2ccc(Cl)[nH]2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575890879 949968546 /nfs/dbraw/zinc/96/85/46/949968546.db2.gz AWCQTKZVUJGGLC-NXEZZACHSA-N -1 1 387.835 1.426 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2ccc(Cl)[nH]2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575890879 949968560 /nfs/dbraw/zinc/96/85/60/949968560.db2.gz AWCQTKZVUJGGLC-NXEZZACHSA-N -1 1 387.835 1.426 20 0 GDADMM C[C@@H](CC(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)C(F)(F)F ZINC001574490005 949974688 /nfs/dbraw/zinc/97/46/88/949974688.db2.gz MPIDGWFLWQWSLO-WPRPVWTQSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](CC(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)C(F)(F)F ZINC001574490005 949974698 /nfs/dbraw/zinc/97/46/98/949974698.db2.gz MPIDGWFLWQWSLO-WPRPVWTQSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](CC(=O)N[C@@]1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001574490166 949979606 /nfs/dbraw/zinc/97/96/06/949979606.db2.gz NVIIZRRLFZGLNJ-XPTSAGLGSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](CC(=O)N[C@@]1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001574490166 949979623 /nfs/dbraw/zinc/97/96/23/949979623.db2.gz NVIIZRRLFZGLNJ-XPTSAGLGSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cscn2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576181050 949987771 /nfs/dbraw/zinc/98/77/71/949987771.db2.gz RWIZFFYIPGEZOE-JQWIXIFHSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cscn2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576181050 949987789 /nfs/dbraw/zinc/98/77/89/949987789.db2.gz RWIZFFYIPGEZOE-JQWIXIFHSA-N -1 1 385.457 1.466 20 0 GDADMM CC(C)C(C)(C)C(=O)N1CC[C@@H](C)[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576181247 949992196 /nfs/dbraw/zinc/99/21/96/949992196.db2.gz SGIZOQVVNFWQHM-ZIAGYGMSSA-N -1 1 386.504 1.657 20 0 GDADMM CC(C)(C)CC(=O)N[C@@H]1CC[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@@H]2C1 ZINC001573833647 950008295 /nfs/dbraw/zinc/00/82/95/950008295.db2.gz BAGXZONGQVRDGM-HZSPNIEDSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)CC(=O)N[C@@H]1CC[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@@H]2C1 ZINC001573833647 950008316 /nfs/dbraw/zinc/00/83/16/950008316.db2.gz BAGXZONGQVRDGM-HZSPNIEDSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H]1CCN(C(=O)Cc2ccco2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576181993 950026403 /nfs/dbraw/zinc/02/64/03/950026403.db2.gz KESBHNWOSMCACT-CHWSQXEVSA-N -1 1 382.428 1.389 20 0 GDADMM C[C@@H]1CCN(C(=O)Cc2ccco2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576181993 950026420 /nfs/dbraw/zinc/02/64/20/950026420.db2.gz KESBHNWOSMCACT-CHWSQXEVSA-N -1 1 382.428 1.389 20 0 GDADMM CC1(C(=O)NC[C@@H](CO)Nc2snc(Cl)c2-c2nnn[n-]2)CCCC1 ZINC001575574754 950026355 /nfs/dbraw/zinc/02/63/55/950026355.db2.gz YKRDLPDEMLUQQE-QMMMGPOBSA-N -1 1 385.881 1.446 20 0 GDADMM CC1(C(=O)NC[C@@H](CO)Nc2snc(Cl)c2-c2nn[n-]n2)CCCC1 ZINC001575574754 950026372 /nfs/dbraw/zinc/02/63/72/950026372.db2.gz YKRDLPDEMLUQQE-QMMMGPOBSA-N -1 1 385.881 1.446 20 0 GDADMM C[C@@H]1CCN(C(=O)CCC2(C)CC2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576182022 950036049 /nfs/dbraw/zinc/03/60/49/950036049.db2.gz KMQRZMCZGIWOAX-KGLIPLIRSA-N -1 1 384.488 1.555 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ncc[nH]1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574731293 950050372 /nfs/dbraw/zinc/05/03/72/950050372.db2.gz CNHRFKDZKDYCGJ-SSDOTTSWSA-N -1 1 381.853 1.201 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ncc[nH]1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574731293 950050390 /nfs/dbraw/zinc/05/03/90/950050390.db2.gz CNHRFKDZKDYCGJ-SSDOTTSWSA-N -1 1 381.853 1.201 20 0 GDADMM C[C@H](CC(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)c1ccco1 ZINC001574492578 950090918 /nfs/dbraw/zinc/09/09/18/950090918.db2.gz BLYQUYIVSOIAMG-GFCCVEGCSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](CC(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)c1ccco1 ZINC001574492578 950090930 /nfs/dbraw/zinc/09/09/30/950090930.db2.gz BLYQUYIVSOIAMG-GFCCVEGCSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574492639 950096810 /nfs/dbraw/zinc/09/68/10/950096810.db2.gz NWKPIPGBFCXPCC-UONOGXRCSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cn[nH]c2)[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576184618 950133624 /nfs/dbraw/zinc/13/36/24/950133624.db2.gz WVUKGQVZXIUJKT-FZMZJTMJSA-N -1 1 382.432 1.123 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cn[nH]c2)[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576184618 950133637 /nfs/dbraw/zinc/13/36/37/950133637.db2.gz WVUKGQVZXIUJKT-FZMZJTMJSA-N -1 1 382.432 1.123 20 0 GDADMM C[C@@]1(C(=O)NCC2(Nc3nccnc3-c3nnn[n-]3)CCCCC2)CCOC1 ZINC001575582992 950134728 /nfs/dbraw/zinc/13/47/28/950134728.db2.gz NLWAITPOIBAGDL-QGZVFWFLSA-N -1 1 386.460 1.314 20 0 GDADMM C[C@@]1(C(=O)NCC2(Nc3nccnc3-c3nn[n-]n3)CCCCC2)CCOC1 ZINC001575582992 950134742 /nfs/dbraw/zinc/13/47/42/950134742.db2.gz NLWAITPOIBAGDL-QGZVFWFLSA-N -1 1 386.460 1.314 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cnco2)[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001576184995 950150203 /nfs/dbraw/zinc/15/02/03/950150203.db2.gz YFHZEASFLVTHFP-NEPJUHHUSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cnco2)[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001576184995 950150221 /nfs/dbraw/zinc/15/02/21/950150221.db2.gz YFHZEASFLVTHFP-NEPJUHHUSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cccnc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574734954 950153667 /nfs/dbraw/zinc/15/36/67/950153667.db2.gz VTCYLNOQVXLNMO-KWCYVHTRSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cccnc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574734954 950153679 /nfs/dbraw/zinc/15/36/79/950153679.db2.gz VTCYLNOQVXLNMO-KWCYVHTRSA-N -1 1 379.428 1.114 20 0 GDADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1C(C)(C)C1(C)C ZINC001574154088 950165379 /nfs/dbraw/zinc/16/53/79/950165379.db2.gz BCBOMLKZQONKHL-GFCCVEGCSA-N -1 1 386.504 1.704 20 0 GDADMM CC(C)[C@@H](CNC(=O)C[C@@H](C)c1ccco1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574494604 950175671 /nfs/dbraw/zinc/17/56/71/950175671.db2.gz LUAVKGZFICDBDK-TZMCWYRMSA-N -1 1 384.444 1.996 20 0 GDADMM CC(C)[C@@H](CNC(=O)C[C@@H](C)c1ccco1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574494604 950175682 /nfs/dbraw/zinc/17/56/82/950175682.db2.gz LUAVKGZFICDBDK-TZMCWYRMSA-N -1 1 384.444 1.996 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccccn2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576190966 950180778 /nfs/dbraw/zinc/18/07/78/950180778.db2.gz FBQBJLUOPKVNDH-STQMWFEESA-N -1 1 379.428 1.262 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccccn2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576190966 950180790 /nfs/dbraw/zinc/18/07/90/950180790.db2.gz FBQBJLUOPKVNDH-STQMWFEESA-N -1 1 379.428 1.262 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@H]1CCCOC1 ZINC001574155223 950189136 /nfs/dbraw/zinc/18/91/36/950189136.db2.gz KDTHAYZZAKLNRS-ZIAGYGMSSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@H]1CCCOC1 ZINC001574155223 950189145 /nfs/dbraw/zinc/18/91/45/950189145.db2.gz KDTHAYZZAKLNRS-ZIAGYGMSSA-N -1 1 388.476 1.416 20 0 GDADMM CC1(C(=O)NC[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)CCCCC1 ZINC001575585428 950195236 /nfs/dbraw/zinc/19/52/36/950195236.db2.gz YWALBTIUFGBFQS-CQSZACIVSA-N -1 1 384.488 1.960 20 0 GDADMM CC1(C(=O)NC[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)CCCCC1 ZINC001575585428 950195244 /nfs/dbraw/zinc/19/52/44/950195244.db2.gz YWALBTIUFGBFQS-CQSZACIVSA-N -1 1 384.488 1.960 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2sccc2F)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575900932 950212336 /nfs/dbraw/zinc/21/23/36/950212336.db2.gz JSSKIJDJNZFSQA-MWLCHTKSSA-N -1 1 388.432 1.645 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1)C(F)(F)F ZINC001574496451 950214950 /nfs/dbraw/zinc/21/49/50/950214950.db2.gz WCQQRVKWUCEAAF-WPRPVWTQSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1)C(F)(F)F ZINC001574496451 950214974 /nfs/dbraw/zinc/21/49/74/950214974.db2.gz WCQQRVKWUCEAAF-WPRPVWTQSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccccc1 ZINC001574496501 950215478 /nfs/dbraw/zinc/21/54/78/950215478.db2.gz WSVANSPFAHJOSL-ZFWWWQNUSA-N -1 1 378.440 1.545 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccccc1 ZINC001574496501 950215494 /nfs/dbraw/zinc/21/54/94/950215494.db2.gz WSVANSPFAHJOSL-ZFWWWQNUSA-N -1 1 378.440 1.545 20 0 GDADMM C[C@H](CN(C)C(=O)c1c(F)cc(F)cc1F)Nc1nccnc1-c1nnn[n-]1 ZINC001574741089 950235626 /nfs/dbraw/zinc/23/56/26/950235626.db2.gz GOJFCYMZERLICV-MRVPVSSYSA-N -1 1 392.345 1.647 20 0 GDADMM C[C@H](CN(C)C(=O)c1c(F)cc(F)cc1F)Nc1nccnc1-c1nn[n-]n1 ZINC001574741089 950235642 /nfs/dbraw/zinc/23/56/42/950235642.db2.gz GOJFCYMZERLICV-MRVPVSSYSA-N -1 1 392.345 1.647 20 0 GDADMM C[C@H]1CCN(C(=O)c2cncs2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576192287 950238818 /nfs/dbraw/zinc/23/88/18/950238818.db2.gz LRTNCRPMZAFYPV-QWRGUYRKSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H]1CCN(C(=O)c2cncs2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576192287 950238836 /nfs/dbraw/zinc/23/88/36/950238836.db2.gz LRTNCRPMZAFYPV-QWRGUYRKSA-N -1 1 385.457 1.324 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573847029 950253287 /nfs/dbraw/zinc/25/32/87/950253287.db2.gz XKYCXUMQFQIRSC-UONOGXRCSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573847029 950253304 /nfs/dbraw/zinc/25/33/04/950253304.db2.gz XKYCXUMQFQIRSC-UONOGXRCSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cccs2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576192700 950260429 /nfs/dbraw/zinc/26/04/29/950260429.db2.gz QBXUJEINWKVDIB-NEPJUHHUSA-N -1 1 384.469 1.350 20 0 GDADMM C[C@H](CC(=O)NC[C@]1(C)CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CC1 ZINC001574498118 950261047 /nfs/dbraw/zinc/26/10/47/950261047.db2.gz KCXVLYLGZIMLAX-YJYMSZOUSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](CC(=O)NC[C@]1(C)CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CC1 ZINC001574498118 950261063 /nfs/dbraw/zinc/26/10/63/950261063.db2.gz KCXVLYLGZIMLAX-YJYMSZOUSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C(=O)NC[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CC(F)(F)C1 ZINC001575589678 950267100 /nfs/dbraw/zinc/26/71/00/950267100.db2.gz XHNBATFQUHABFN-SNVBAGLBSA-N -1 1 378.387 1.035 20 0 GDADMM CC1(C(=O)NC[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CC(F)(F)C1 ZINC001575589678 950267126 /nfs/dbraw/zinc/26/71/26/950267126.db2.gz XHNBATFQUHABFN-SNVBAGLBSA-N -1 1 378.387 1.035 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CCn1cccc1 ZINC001574158136 950273517 /nfs/dbraw/zinc/27/35/17/950273517.db2.gz OTYNKOFJWPTHBP-CQSZACIVSA-N -1 1 383.460 1.491 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CCn1cccc1 ZINC001574158136 950273532 /nfs/dbraw/zinc/27/35/32/950273532.db2.gz OTYNKOFJWPTHBP-CQSZACIVSA-N -1 1 383.460 1.491 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCOCC1)C1CC1 ZINC001574498515 950280136 /nfs/dbraw/zinc/28/01/36/950280136.db2.gz OLMKZDZMHYEXLT-GFCCVEGCSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCOCC1)C1CC1 ZINC001574498515 950280158 /nfs/dbraw/zinc/28/01/58/950280158.db2.gz OLMKZDZMHYEXLT-GFCCVEGCSA-N -1 1 386.460 1.170 20 0 GDADMM CC(C)(C)OC(=O)CC[C@H]1C[C@@H](C(=O)Nc2c[nH]nc2-c2nn[n-]n2)CO1 ZINC001573850919 950283017 /nfs/dbraw/zinc/28/30/17/950283017.db2.gz OZWLBYQXXSVJBT-ZJUUUORDSA-N -1 1 377.405 1.055 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1csc(=O)[nH]1 ZINC001574158824 950292528 /nfs/dbraw/zinc/29/25/28/950292528.db2.gz CLOHLJVUNHZTAV-VIFPVBQESA-N -1 1 389.445 1.075 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H](C)C(C)(F)F ZINC001574159247 950296821 /nfs/dbraw/zinc/29/68/21/950296821.db2.gz URHAKYUECYQUDX-MNOVXSKESA-N -1 1 382.419 1.891 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H](C)C(C)(F)F ZINC001574159247 950296840 /nfs/dbraw/zinc/29/68/40/950296840.db2.gz URHAKYUECYQUDX-MNOVXSKESA-N -1 1 382.419 1.891 20 0 GDADMM CC1(C(=O)NC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)CCC2(F)F)CCC1 ZINC001575593033 950299681 /nfs/dbraw/zinc/29/96/81/950299681.db2.gz FDKDHARPTMRAQX-NSHDSACASA-N -1 1 392.414 1.425 20 0 GDADMM CC1(C(=O)NC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)CCC2(F)F)CCC1 ZINC001575593033 950299700 /nfs/dbraw/zinc/29/97/00/950299700.db2.gz FDKDHARPTMRAQX-NSHDSACASA-N -1 1 392.414 1.425 20 0 GDADMM C[C@@H](CC(=O)NC[C@@]1(C)CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001574499451 950302752 /nfs/dbraw/zinc/30/27/52/950302752.db2.gz VRIQGZARWNJWBL-ORAYPTAESA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccccc2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576193745 950310675 /nfs/dbraw/zinc/31/06/75/950310675.db2.gz WRLSXNPQMWNDHG-ZFWWWQNUSA-N -1 1 378.440 1.867 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccccc2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576193745 950310692 /nfs/dbraw/zinc/31/06/92/950310692.db2.gz WRLSXNPQMWNDHG-ZFWWWQNUSA-N -1 1 378.440 1.867 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001574501065 950316925 /nfs/dbraw/zinc/31/69/25/950316925.db2.gz ASPMUPONGGTWHX-CABCVRRESA-N -1 1 392.467 1.793 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574501065 950316937 /nfs/dbraw/zinc/31/69/37/950316937.db2.gz ASPMUPONGGTWHX-CABCVRRESA-N -1 1 392.467 1.793 20 0 GDADMM CC(C)(C)OC(=O)N1CC(C)(C(=O)NCc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573853218 950324639 /nfs/dbraw/zinc/32/46/39/950324639.db2.gz OKJGSJHTVBJOBZ-UHFFFAOYSA-N -1 1 378.458 1.801 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001574501495 950335567 /nfs/dbraw/zinc/33/55/67/950335567.db2.gz DXJBFTMIQPYWON-HOCLYGCPSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001574501495 950335588 /nfs/dbraw/zinc/33/55/88/950335588.db2.gz DXJBFTMIQPYWON-HOCLYGCPSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001574501723 950340790 /nfs/dbraw/zinc/34/07/90/950340790.db2.gz GVMNELZYZCSYOJ-UONOGXRCSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574501723 950340815 /nfs/dbraw/zinc/34/08/15/950340815.db2.gz GVMNELZYZCSYOJ-UONOGXRCSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@]1(C(=O)NCCC2(CNc3nccnc3-c3nnn[n-]3)CC2)CCCOC1 ZINC001575595318 950355524 /nfs/dbraw/zinc/35/55/24/950355524.db2.gz OFVCLTPGONVWHF-KRWDZBQOSA-N -1 1 386.460 1.172 20 0 GDADMM C[C@]1(C(=O)NCCC2(CNc3nccnc3-c3nn[n-]n3)CC2)CCCOC1 ZINC001575595318 950355536 /nfs/dbraw/zinc/35/55/36/950355536.db2.gz OFVCLTPGONVWHF-KRWDZBQOSA-N -1 1 386.460 1.172 20 0 GDADMM CC1(C(=O)NC[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CCC2(F)F)CC1 ZINC001575595990 950363289 /nfs/dbraw/zinc/36/32/89/950363289.db2.gz RESURZFZKVKAAR-SNVBAGLBSA-N -1 1 378.387 1.035 20 0 GDADMM CC1(C(=O)NC[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CCC2(F)F)CC1 ZINC001575595990 950363309 /nfs/dbraw/zinc/36/33/09/950363309.db2.gz RESURZFZKVKAAR-SNVBAGLBSA-N -1 1 378.387 1.035 20 0 GDADMM C[C@H](CC(=O)NCCC1CCN(c2nccnc2-c2nnn[n-]2)CC1)C1CC1 ZINC001574502321 950368229 /nfs/dbraw/zinc/36/82/29/950368229.db2.gz LXGPQDVEEYETOL-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](CC(=O)NCCC1CCN(c2nccnc2-c2nn[n-]n2)CC1)C1CC1 ZINC001574502321 950368247 /nfs/dbraw/zinc/36/82/47/950368247.db2.gz LXGPQDVEEYETOL-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)c1ccco1 ZINC001574502260 950371004 /nfs/dbraw/zinc/37/10/04/950371004.db2.gz LCARZNKRODYSKH-STQMWFEESA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)c1ccco1 ZINC001574502260 950371021 /nfs/dbraw/zinc/37/10/21/950371021.db2.gz LCARZNKRODYSKH-STQMWFEESA-N -1 1 382.428 1.529 20 0 GDADMM CC(C)CC1(C(=O)N2CC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)CCC1 ZINC001574162700 950395090 /nfs/dbraw/zinc/39/50/90/950395090.db2.gz HCTCMTPBSJLXDM-CQSZACIVSA-N -1 1 384.488 1.555 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001574503414 950409930 /nfs/dbraw/zinc/40/99/30/950409930.db2.gz VSLKVIYLKCBIDM-ZJUUUORDSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001574503414 950409943 /nfs/dbraw/zinc/40/99/43/950409943.db2.gz VSLKVIYLKCBIDM-ZJUUUORDSA-N -1 1 384.366 1.188 20 0 GDADMM CC(C)CC1(C(=O)NC[C@H](CO)Nc2nccnc2-c2nnn[n-]2)CCCC1 ZINC001574166159 950464606 /nfs/dbraw/zinc/46/46/06/950464606.db2.gz OIROPULAPGGAHB-CYBMUJFWSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)CC1(C(=O)NC[C@H](CO)Nc2nccnc2-c2nn[n-]n2)CCCC1 ZINC001574166159 950464621 /nfs/dbraw/zinc/46/46/21/950464621.db2.gz OIROPULAPGGAHB-CYBMUJFWSA-N -1 1 388.476 1.152 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc(F)ccc1Cl)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574751976 950469795 /nfs/dbraw/zinc/46/97/95/950469795.db2.gz SJCZOIHKIMJIHK-SECBINFHSA-N -1 1 390.810 1.444 20 0 GDADMM CC(C)CC1(C(=O)NC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C2CC2)CCC1 ZINC001574166676 950471169 /nfs/dbraw/zinc/47/11/69/950471169.db2.gz VOFIFVSTFLVDHS-AWEZNQCLSA-N -1 1 384.488 1.602 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cc(Cl)no1 ZINC001575914655 950499271 /nfs/dbraw/zinc/49/92/71/950499271.db2.gz LQVJQJYTVRKUQF-YUMQZZPRSA-N -1 1 375.780 1.013 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cc(Cl)no1 ZINC001575914655 950499279 /nfs/dbraw/zinc/49/92/79/950499279.db2.gz LQVJQJYTVRKUQF-YUMQZZPRSA-N -1 1 375.780 1.013 20 0 GDADMM CC(C)CC1(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)CCC1 ZINC001574168105 950502253 /nfs/dbraw/zinc/50/22/53/950502253.db2.gz OYWYCUJCMULCFP-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CC1(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)CCC1 ZINC001574168105 950502267 /nfs/dbraw/zinc/50/22/67/950502267.db2.gz OYWYCUJCMULCFP-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001575915104 950504554 /nfs/dbraw/zinc/50/45/54/950504554.db2.gz LVYCBGFLXZVUFY-DNSBFNIMSA-N -1 1 380.456 1.350 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001575915104 950504567 /nfs/dbraw/zinc/50/45/67/950504567.db2.gz LVYCBGFLXZVUFY-DNSBFNIMSA-N -1 1 380.456 1.350 20 0 GDADMM C[C@@H](CCNC(=O)C[C@H](C)c1ccncc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574509752 950531931 /nfs/dbraw/zinc/53/19/31/950531931.db2.gz WVCWEGDYYQIBQK-STQMWFEESA-N -1 1 381.444 1.552 20 0 GDADMM C[C@@H](CCNC(=O)C[C@H](C)c1ccncc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574509752 950531946 /nfs/dbraw/zinc/53/19/46/950531946.db2.gz WVCWEGDYYQIBQK-STQMWFEESA-N -1 1 381.444 1.552 20 0 GDADMM CC(C)(C)OCC(=O)N[C@]12CCC[C@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001573868247 950536613 /nfs/dbraw/zinc/53/66/13/950536613.db2.gz ASLMNFSQLBMJKJ-ACJLOTCBSA-N -1 1 386.460 1.089 20 0 GDADMM CC(C)(C)OCC(=O)N[C@]12CCC[C@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001573868247 950536630 /nfs/dbraw/zinc/53/66/30/950536630.db2.gz ASLMNFSQLBMJKJ-ACJLOTCBSA-N -1 1 386.460 1.089 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001573868639 950548539 /nfs/dbraw/zinc/54/85/39/950548539.db2.gz FLUMCJRDPQUIHX-STQMWFEESA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001573868639 950548551 /nfs/dbraw/zinc/54/85/51/950548551.db2.gz FLUMCJRDPQUIHX-STQMWFEESA-N -1 1 388.476 1.559 20 0 GDADMM C[C@]1(C(=O)N[C@H]2C[C@H](Nc3nccnc3-c3nnn[n-]3)C2)CCc2ccccc21 ZINC001575614735 950549695 /nfs/dbraw/zinc/54/96/95/950549695.db2.gz OGBSOWMTQGLHDL-YRVVQQKDSA-N -1 1 390.451 1.620 20 0 GDADMM C[C@]1(C(=O)N[C@H]2C[C@H](Nc3nccnc3-c3nn[n-]n3)C2)CCc2ccccc21 ZINC001575614735 950549717 /nfs/dbraw/zinc/54/97/17/950549717.db2.gz OGBSOWMTQGLHDL-YRVVQQKDSA-N -1 1 390.451 1.620 20 0 GDADMM C[C@@]1(C(=O)N[C@@H]2[C@H]3CN(c4snc(Cl)c4-c4nnn[n-]4)C[C@H]32)C=CCC1 ZINC001575614785 950552366 /nfs/dbraw/zinc/55/23/66/950552366.db2.gz PRWHURXFQWHURH-KFAJUKFASA-N -1 1 391.888 1.884 20 0 GDADMM C[C@@]1(C(=O)N[C@@H]2[C@H]3CN(c4snc(Cl)c4-c4nn[n-]n4)C[C@H]32)C=CCC1 ZINC001575614785 950552381 /nfs/dbraw/zinc/55/23/81/950552381.db2.gz PRWHURXFQWHURH-KFAJUKFASA-N -1 1 391.888 1.884 20 0 GDADMM CC(C)(C)OCC(=O)NC[C@@H]1CCCCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001573869792 950574147 /nfs/dbraw/zinc/57/41/47/950574147.db2.gz CZZQCNGRPCFIDW-ZDUSSCGKSA-N -1 1 388.476 1.337 20 0 GDADMM CC(C)(C)OCC(=O)NC[C@@H]1CCCCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001573869792 950574163 /nfs/dbraw/zinc/57/41/63/950574163.db2.gz CZZQCNGRPCFIDW-ZDUSSCGKSA-N -1 1 388.476 1.337 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C)n1cccc1 ZINC001574511873 950577877 /nfs/dbraw/zinc/57/78/77/950577877.db2.gz UHUCQNKPOXETFZ-VNHYZAJKSA-N -1 1 381.444 1.050 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C)n1cccc1 ZINC001574511873 950577897 /nfs/dbraw/zinc/57/78/97/950577897.db2.gz UHUCQNKPOXETFZ-VNHYZAJKSA-N -1 1 381.444 1.050 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)NC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575615891 950581023 /nfs/dbraw/zinc/58/10/23/950581023.db2.gz JUXLZNWSMHDQBT-LBPRGKRZSA-N -1 1 384.488 1.672 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)NC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575615891 950581037 /nfs/dbraw/zinc/58/10/37/950581037.db2.gz JUXLZNWSMHDQBT-LBPRGKRZSA-N -1 1 384.488 1.672 20 0 GDADMM CC1(C)C(C(=O)N[C@@H]2CCCC[C@H]2Nc2ccnc(-c3nn[n-]n3)n2)C1(C)C ZINC001575616500 950584906 /nfs/dbraw/zinc/58/49/06/950584906.db2.gz PZRRZXWDPDLVOG-VXGBXAGGSA-N -1 1 384.488 1.600 20 0 GDADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc2ccccc2o1 ZINC001575919075 950604096 /nfs/dbraw/zinc/60/40/96/950604096.db2.gz FWQHYRZBEPEOHJ-WCQYABFASA-N -1 1 390.407 1.540 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C[C@H](C)c1ccc(F)cc1 ZINC001574513482 950610749 /nfs/dbraw/zinc/61/07/49/950610749.db2.gz QKAYXZNRARBBKG-NWDGAFQWSA-N -1 1 384.419 1.328 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1CCCCC1 ZINC001574513765 950618463 /nfs/dbraw/zinc/61/84/63/950618463.db2.gz YNHWVXKSBHCWPG-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1CCCCC1 ZINC001574513765 950618475 /nfs/dbraw/zinc/61/84/75/950618475.db2.gz YNHWVXKSBHCWPG-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)C1CCC2(CC2)CC1 ZINC001575920529 950631285 /nfs/dbraw/zinc/63/12/85/950631285.db2.gz MJMCEOOONWAROA-OCCSQVGLSA-N -1 1 382.472 1.450 20 0 GDADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(C2CC2)cn1 ZINC001575922211 950645793 /nfs/dbraw/zinc/64/57/93/950645793.db2.gz OXIRFRFINGREBZ-FZMZJTMJSA-N -1 1 391.439 1.066 20 0 GDADMM CC(C)(C)OCc1ccccc1NC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001573873612 950648496 /nfs/dbraw/zinc/64/84/96/950648496.db2.gz UMFIUQJTGUGGFT-UHFFFAOYSA-N -1 1 385.432 1.595 20 0 GDADMM C[C@H](CNC(=O)c1cc2occc2s1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575005332 950676696 /nfs/dbraw/zinc/67/66/96/950676696.db2.gz BDBADMSHYNIIPO-SECBINFHSA-N -1 1 384.425 1.719 20 0 GDADMM CC(C)n1ccc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@H]2C)n1 ZINC001575925075 950680919 /nfs/dbraw/zinc/68/09/19/950680919.db2.gz SSRZPSKTUUZRKG-VXGBXAGGSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1ccc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@H]2C)n1 ZINC001575925075 950680930 /nfs/dbraw/zinc/68/09/30/950680930.db2.gz SSRZPSKTUUZRKG-VXGBXAGGSA-N -1 1 382.432 1.149 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576215379 950694630 /nfs/dbraw/zinc/69/46/30/950694630.db2.gz AUGXISKJUCJBNY-VHSXEESVSA-N -1 1 378.387 1.208 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576215379 950694641 /nfs/dbraw/zinc/69/46/41/950694641.db2.gz AUGXISKJUCJBNY-VHSXEESVSA-N -1 1 378.387 1.208 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573878507 950708979 /nfs/dbraw/zinc/70/89/79/950708979.db2.gz RERSHDWWSJGFMZ-BFHYXJOUSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573878507 950708991 /nfs/dbraw/zinc/70/89/91/950708991.db2.gz RERSHDWWSJGFMZ-BFHYXJOUSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cccc2c1CCC2 ZINC001575926670 950716922 /nfs/dbraw/zinc/71/69/22/950716922.db2.gz YCDPIULLNXPKBV-LRDDRELGSA-N -1 1 390.451 1.282 20 0 GDADMM C[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(-c3nnn[n-]3)o2)[C@@H]1C ZINC001576216030 950717219 /nfs/dbraw/zinc/71/72/19/950717219.db2.gz XWFCYVPSBJXDOV-UPJWGTAASA-N -1 1 384.444 1.838 20 0 GDADMM C[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(-c3nn[n-]n3)o2)[C@@H]1C ZINC001576216030 950717238 /nfs/dbraw/zinc/71/72/38/950717238.db2.gz XWFCYVPSBJXDOV-UPJWGTAASA-N -1 1 384.444 1.838 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1occ2c1CCC2 ZINC001575926766 950723230 /nfs/dbraw/zinc/72/32/30/950723230.db2.gz LQBNFLALLGYNEC-GWCFXTLKSA-N -1 1 380.412 1.454 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1occ2c1CCC2 ZINC001575926766 950723245 /nfs/dbraw/zinc/72/32/45/950723245.db2.gz LQBNFLALLGYNEC-GWCFXTLKSA-N -1 1 380.412 1.454 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1coc(C(F)F)c1 ZINC001575926918 950727633 /nfs/dbraw/zinc/72/76/33/950727633.db2.gz MVGJKLOVJGMHDS-SCZZXKLOSA-N -1 1 390.354 1.902 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1coc(C(F)F)c1 ZINC001575926918 950727646 /nfs/dbraw/zinc/72/76/46/950727646.db2.gz MVGJKLOVJGMHDS-SCZZXKLOSA-N -1 1 390.354 1.902 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ocnc1C(F)F ZINC001575926893 950727879 /nfs/dbraw/zinc/72/78/79/950727879.db2.gz MSTFGHFXARFZJJ-JGVFFNPUSA-N -1 1 391.342 1.297 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ocnc1C(F)F ZINC001575926893 950727897 /nfs/dbraw/zinc/72/78/97/950727897.db2.gz MSTFGHFXARFZJJ-JGVFFNPUSA-N -1 1 391.342 1.297 20 0 GDADMM CC(C)(C)c1cc(C(=O)NCC2(Nc3cnc(-c4nnn[n-]4)cn3)CC2)no1 ZINC001573879734 950733824 /nfs/dbraw/zinc/73/38/24/950733824.db2.gz KEKXQBMCLLDYRC-UHFFFAOYSA-N -1 1 383.416 1.317 20 0 GDADMM CC(C)(C)c1cc(C(=O)NCC2(Nc3cnc(-c4nn[n-]n4)cn3)CC2)no1 ZINC001573879734 950733838 /nfs/dbraw/zinc/73/38/38/950733838.db2.gz KEKXQBMCLLDYRC-UHFFFAOYSA-N -1 1 383.416 1.317 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CC(C1CC1)C1CC1 ZINC001575927096 950734816 /nfs/dbraw/zinc/73/48/16/950734816.db2.gz NHYAJVOHQKCMOE-NHYWBVRUSA-N -1 1 382.472 1.884 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CC(C1CC1)C1CC1 ZINC001575927096 950734837 /nfs/dbraw/zinc/73/48/37/950734837.db2.gz NHYAJVOHQKCMOE-NHYWBVRUSA-N -1 1 382.472 1.884 20 0 GDADMM CC1(C)CC(C(=O)NCC2(O)CN(Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001575629109 950735020 /nfs/dbraw/zinc/73/50/20/950735020.db2.gz LQTQIHHBBMNWIK-UHFFFAOYSA-N -1 1 376.486 1.027 20 0 GDADMM CC1(C)CC(C(=O)NC[C@]2(C)CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001575629515 950739842 /nfs/dbraw/zinc/73/98/42/950739842.db2.gz OKDLNRBKDNUORD-IBGZPJMESA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C)CC(C(=O)NC[C@]2(C)CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001575629515 950739855 /nfs/dbraw/zinc/73/98/55/950739855.db2.gz OKDLNRBKDNUORD-IBGZPJMESA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cncc(Cl)c1 ZINC001575927642 950747482 /nfs/dbraw/zinc/74/74/82/950747482.db2.gz RFDXGPRSJWTLQD-CABZTGNLSA-N -1 1 385.819 1.420 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cncc(Cl)c1 ZINC001575927642 950747497 /nfs/dbraw/zinc/74/74/97/950747497.db2.gz RFDXGPRSJWTLQD-CABZTGNLSA-N -1 1 385.819 1.420 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cc(C2CC2)on1 ZINC001575927793 950756945 /nfs/dbraw/zinc/75/69/45/950756945.db2.gz UNZWMSGHNWGNFT-GXSJLCMTSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cc(C2CC2)on1 ZINC001575927793 950756957 /nfs/dbraw/zinc/75/69/57/950756957.db2.gz UNZWMSGHNWGNFT-GXSJLCMTSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1nc(Cl)cs1 ZINC001575927835 950758800 /nfs/dbraw/zinc/75/88/00/950758800.db2.gz VEHUEHDQVJSGGN-SFYZADRCSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1nc(Cl)cs1 ZINC001575927835 950758816 /nfs/dbraw/zinc/75/88/16/950758816.db2.gz VEHUEHDQVJSGGN-SFYZADRCSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cnc(C2CC2)nc1 ZINC001575929860 950788966 /nfs/dbraw/zinc/78/89/66/950788966.db2.gz CUPRYKSTKDSNNT-GXFFZTMASA-N -1 1 392.427 1.039 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cnc(C2CC2)nc1 ZINC001575929860 950788972 /nfs/dbraw/zinc/78/89/72/950788972.db2.gz CUPRYKSTKDSNNT-GXFFZTMASA-N -1 1 392.427 1.039 20 0 GDADMM CC(C)(C)c1n[nH]cc1C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573884393 950794653 /nfs/dbraw/zinc/79/46/53/950794653.db2.gz MHADWLJIRFARFG-MGCOHNPYSA-N -1 1 382.432 1.050 20 0 GDADMM CC(C)(C)c1n[nH]cc1C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573884393 950794668 /nfs/dbraw/zinc/79/46/68/950794668.db2.gz MHADWLJIRFARFG-MGCOHNPYSA-N -1 1 382.432 1.050 20 0 GDADMM C[C@@H](CN(C)C(=O)c1coc(CC2CC2)n1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574765716 950796808 /nfs/dbraw/zinc/79/68/08/950796808.db2.gz JVYUOGMXZXVRIZ-JTQLQIEISA-N -1 1 383.416 1.170 20 0 GDADMM C[C@@H](CN(C)C(=O)c1coc(CC2CC2)n1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574765716 950796816 /nfs/dbraw/zinc/79/68/16/950796816.db2.gz JVYUOGMXZXVRIZ-JTQLQIEISA-N -1 1 383.416 1.170 20 0 GDADMM CC1(C)CC(CC(=O)N[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001575633318 950817848 /nfs/dbraw/zinc/81/78/48/950817848.db2.gz SHXJXNSBDCFXJA-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CC(CC(=O)N[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001575633318 950817876 /nfs/dbraw/zinc/81/78/76/950817876.db2.gz SHXJXNSBDCFXJA-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CCCC(=O)N1CC[C@H]2[C@@H](CCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574186987 950823758 /nfs/dbraw/zinc/82/37/58/950823758.db2.gz LCRDRTJALJQELC-HOCLYGCPSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CCCC(=O)N1CC[C@H]2[C@@H](CCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574186987 950823783 /nfs/dbraw/zinc/82/37/83/950823783.db2.gz LCRDRTJALJQELC-HOCLYGCPSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCN1C(=O)c1cncnc1 ZINC001575932201 950824775 /nfs/dbraw/zinc/82/47/75/950824775.db2.gz KKIUPQHCWMXKEE-CBAPKCEASA-N -1 1 391.848 1.482 20 0 GDADMM CC(C)CCCC(=O)N1CCC(O)(CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574187402 950827720 /nfs/dbraw/zinc/82/77/20/950827720.db2.gz OUDPZIRUFWGUQX-UHFFFAOYSA-N -1 1 388.476 1.248 20 0 GDADMM CC(C)CCCC(=O)N1CCC(O)(CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574187402 950827742 /nfs/dbraw/zinc/82/77/42/950827742.db2.gz OUDPZIRUFWGUQX-UHFFFAOYSA-N -1 1 388.476 1.248 20 0 GDADMM CC(C)(C)c1nc(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)nn3)CC2)co1 ZINC001573885818 950834528 /nfs/dbraw/zinc/83/45/28/950834528.db2.gz VBVCAVPXMYSYLK-UHFFFAOYSA-N -1 1 383.416 1.317 20 0 GDADMM CC(C)(C)c1nc(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)nn3)CC2)co1 ZINC001573885818 950834552 /nfs/dbraw/zinc/83/45/52/950834552.db2.gz VBVCAVPXMYSYLK-UHFFFAOYSA-N -1 1 383.416 1.317 20 0 GDADMM CC(C)(F)C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)CC(C)(C)C1 ZINC001575638522 950839671 /nfs/dbraw/zinc/83/96/71/950839671.db2.gz GDRKJDMUJYGUNT-LLVKDONJSA-N -1 1 376.440 1.516 20 0 GDADMM CC(C)(F)C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)CC(C)(C)C1 ZINC001575638522 950839694 /nfs/dbraw/zinc/83/96/94/950839694.db2.gz GDRKJDMUJYGUNT-LLVKDONJSA-N -1 1 376.440 1.516 20 0 GDADMM C[C@@H]1CCc2c(C(=O)NCCNc3cncc(-c4nnn[n-]4)n3)csc2C1 ZINC001576220939 950839937 /nfs/dbraw/zinc/83/99/37/950839937.db2.gz XZPIMTUIPZVQRW-SNVBAGLBSA-N -1 1 384.469 1.685 20 0 GDADMM C[C@@H]1CCc2c(C(=O)NCCNc3cncc(-c4nn[n-]n4)n3)csc2C1 ZINC001576220939 950839953 /nfs/dbraw/zinc/83/99/53/950839953.db2.gz XZPIMTUIPZVQRW-SNVBAGLBSA-N -1 1 384.469 1.685 20 0 GDADMM C[C@H]1CN(C(=O)C(=O)C(C)(C)C)CC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576221025 950843797 /nfs/dbraw/zinc/84/37/97/950843797.db2.gz YUXMRHBRFQKMSS-NWDGAFQWSA-N -1 1 386.460 1.168 20 0 GDADMM C[C@H]1CN(C(=O)C(=O)C(C)(C)C)CC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576221025 950843819 /nfs/dbraw/zinc/84/38/19/950843819.db2.gz YUXMRHBRFQKMSS-NWDGAFQWSA-N -1 1 386.460 1.168 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cc(Cl)cn1C ZINC001575934471 950855884 /nfs/dbraw/zinc/85/58/84/950855884.db2.gz RTJCKDJDNGKHQU-ONGXEEELSA-N -1 1 387.835 1.364 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(Cl)cn1C ZINC001575934471 950855906 /nfs/dbraw/zinc/85/59/06/950855906.db2.gz RTJCKDJDNGKHQU-ONGXEEELSA-N -1 1 387.835 1.364 20 0 GDADMM CC(C)(CC(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573893579 950891175 /nfs/dbraw/zinc/89/11/75/950891175.db2.gz LVFVBKMENIDFFJ-VIFPVBQESA-N -1 1 384.366 1.070 20 0 GDADMM CC(C)(CC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)CC(F)F ZINC001573893621 950895504 /nfs/dbraw/zinc/89/55/04/950895504.db2.gz NQQIXWUAYGLHRL-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)(CC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)CC(F)F ZINC001573893621 950895514 /nfs/dbraw/zinc/89/55/14/950895514.db2.gz NQQIXWUAYGLHRL-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM CC1(C)C[C@@H](NC(=O)c2ccoc2)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575640755 950899843 /nfs/dbraw/zinc/89/98/43/950899843.db2.gz KJERXSSDMUJNKT-ZDUSSCGKSA-N -1 1 382.428 1.675 20 0 GDADMM CC1(C)C[C@@H](NC(=O)c2ccoc2)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575640755 950899854 /nfs/dbraw/zinc/89/98/54/950899854.db2.gz KJERXSSDMUJNKT-ZDUSSCGKSA-N -1 1 382.428 1.675 20 0 GDADMM CC(C)(CC(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)CC(F)F ZINC001573893848 950908521 /nfs/dbraw/zinc/90/85/21/950908521.db2.gz ZJSCXGKVVJFDPC-JTQLQIEISA-N -1 1 380.403 1.163 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N1CCC2(CCN(c3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001575642516 950946550 /nfs/dbraw/zinc/94/65/50/950946550.db2.gz HZQTWMGXZRUKEJ-CYBMUJFWSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N1CCC2(CCN(c3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001575642516 950946575 /nfs/dbraw/zinc/94/65/75/950946575.db2.gz HZQTWMGXZRUKEJ-CYBMUJFWSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H]1C[C@H](C(=O)N(C)C2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)CCO1 ZINC001575937549 950952013 /nfs/dbraw/zinc/95/20/13/950952013.db2.gz FVODQMCBGOWKAN-VXGBXAGGSA-N -1 1 376.486 1.386 20 0 GDADMM CC(C)(CC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CC1)C(F)(F)F ZINC001573897441 950962417 /nfs/dbraw/zinc/96/24/17/950962417.db2.gz PGKVGNJAKFZRRH-UHFFFAOYSA-N -1 1 384.366 1.118 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)COCC1CCCC1 ZINC001575938856 950991163 /nfs/dbraw/zinc/99/11/63/950991163.db2.gz OUBUKBYGVSYXEB-JSGCOSHPSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)COCC1CCCC1 ZINC001575938856 950991176 /nfs/dbraw/zinc/99/11/76/950991176.db2.gz OUBUKBYGVSYXEB-JSGCOSHPSA-N -1 1 386.460 1.265 20 0 GDADMM CC(C)(CC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001573900032 950991790 /nfs/dbraw/zinc/99/17/90/950991790.db2.gz PZDIEEKVPPBDNP-KYZUINATSA-N -1 1 384.366 1.694 20 0 GDADMM CC(C)(CC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001573900032 950991804 /nfs/dbraw/zinc/99/18/04/950991804.db2.gz PZDIEEKVPPBDNP-KYZUINATSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)F)nc1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575017524 950998473 /nfs/dbraw/zinc/99/84/73/950998473.db2.gz HEYNOZDGKXTFFI-VIFPVBQESA-N -1 1 389.370 1.467 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)F)nc1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575017524 950998484 /nfs/dbraw/zinc/99/84/84/950998484.db2.gz HEYNOZDGKXTFFI-VIFPVBQESA-N -1 1 389.370 1.467 20 0 GDADMM CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)CN[C@H](C(=O)[O-])[C@@H](C)CC ZINC001591087593 951047536 /nfs/dbraw/zinc/04/75/36/951047536.db2.gz GXPPGXQULCOIAT-UFBFGSQYSA-N -1 1 399.469 1.360 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)c(C(F)F)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575023526 951078384 /nfs/dbraw/zinc/07/83/84/951078384.db2.gz NAFTXLJQJAAXPY-MRVPVSSYSA-N -1 1 392.345 1.964 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)c(C(F)F)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575023526 951078397 /nfs/dbraw/zinc/07/83/97/951078397.db2.gz NAFTXLJQJAAXPY-MRVPVSSYSA-N -1 1 392.345 1.964 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)c(F)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575023765 951083352 /nfs/dbraw/zinc/08/33/52/951083352.db2.gz PHWSJIHRZJVGGO-MRVPVSSYSA-N -1 1 376.783 1.102 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)COC2)CNc1nccnc1-c1nnn[n-]1 ZINC001575024930 951121458 /nfs/dbraw/zinc/12/14/58/951121458.db2.gz PZUJEGPXQIUAGR-NSHDSACASA-N -1 1 380.412 1.165 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)COC2)CNc1nccnc1-c1nn[n-]n1 ZINC001575024930 951121470 /nfs/dbraw/zinc/12/14/70/951121470.db2.gz PZUJEGPXQIUAGR-NSHDSACASA-N -1 1 380.412 1.165 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(Cl)c1F)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575027981 951165004 /nfs/dbraw/zinc/16/50/04/951165004.db2.gz SGCLAEXLRPTITP-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(Cl)c1F)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575027981 951165008 /nfs/dbraw/zinc/16/50/08/951165008.db2.gz SGCLAEXLRPTITP-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1cccc(C2CC2)c1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575028016 951165753 /nfs/dbraw/zinc/16/57/53/951165753.db2.gz SQHYCPHHKQPCAL-LBPRGKRZSA-N -1 1 378.440 1.434 20 0 GDADMM C[C@H](CNC(=O)c1ccccc1-n1cccn1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575028952 951178834 /nfs/dbraw/zinc/17/88/34/951178834.db2.gz QIODGISEWLTYHG-GFCCVEGCSA-N -1 1 390.411 1.073 20 0 GDADMM C[C@H](CNC(=O)c1ccccc1-n1cccn1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575028952 951178842 /nfs/dbraw/zinc/17/88/42/951178842.db2.gz QIODGISEWLTYHG-GFCCVEGCSA-N -1 1 390.411 1.073 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2c1O[C@@H](C)C2)Nc1nccnc1-c1nnn[n-]1 ZINC001575029371 951187723 /nfs/dbraw/zinc/18/77/23/951187723.db2.gz TVTWAXTYANMTGW-QWRGUYRKSA-N -1 1 380.412 1.211 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2c1O[C@@H](C)C2)Nc1nccnc1-c1nn[n-]n1 ZINC001575029371 951187728 /nfs/dbraw/zinc/18/77/28/951187728.db2.gz TVTWAXTYANMTGW-QWRGUYRKSA-N -1 1 380.412 1.211 20 0 GDADMM C[C@H](CNC(=O)c1cccnc1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575031680 951201711 /nfs/dbraw/zinc/20/17/11/951201711.db2.gz GUECTLSIOGPBCC-MRVPVSSYSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@H](CNC(=O)c1cccnc1C(F)F)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575031736 951202129 /nfs/dbraw/zinc/20/21/29/951202129.db2.gz HXENTQCPAVYGOW-SECBINFHSA-N -1 1 389.370 1.244 20 0 GDADMM C[C@H](CNC(=O)c1cccnc1C(F)F)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575031736 951202137 /nfs/dbraw/zinc/20/21/37/951202137.db2.gz HXENTQCPAVYGOW-SECBINFHSA-N -1 1 389.370 1.244 20 0 GDADMM C[C@@H](CNC(=O)c1cccnc1C(F)F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575031868 951207276 /nfs/dbraw/zinc/20/72/76/951207276.db2.gz KUGSYEOWGIGSCP-QMMMGPOBSA-N -1 1 375.343 1.220 20 0 GDADMM C[C@@H](CNC(=O)c1cccnc1C(F)F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575031868 951207284 /nfs/dbraw/zinc/20/72/84/951207284.db2.gz KUGSYEOWGIGSCP-QMMMGPOBSA-N -1 1 375.343 1.220 20 0 GDADMM C[C@@H](CNC(=O)c1cccnc1C1CC1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575031833 951208088 /nfs/dbraw/zinc/20/80/88/951208088.db2.gz JZHGLTSYDWCUAC-LLVKDONJSA-N -1 1 379.428 1.407 20 0 GDADMM C[C@@H](CNC(=O)c1cccnc1C1CC1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575031833 951208094 /nfs/dbraw/zinc/20/80/94/951208094.db2.gz JZHGLTSYDWCUAC-LLVKDONJSA-N -1 1 379.428 1.407 20 0 GDADMM C[C@H](CNC(=O)c1cccnc1C1CC1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575032195 951218160 /nfs/dbraw/zinc/21/81/60/951218160.db2.gz TUAMTGNPEQRBAH-LLVKDONJSA-N -1 1 379.428 1.184 20 0 GDADMM C[C@H](CNC(=O)c1cccnc1C1CC1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575032195 951218165 /nfs/dbraw/zinc/21/81/65/951218165.db2.gz TUAMTGNPEQRBAH-LLVKDONJSA-N -1 1 379.428 1.184 20 0 GDADMM C[C@@H](CNC(=O)c1ccn(C)c1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575035811 951282900 /nfs/dbraw/zinc/28/29/00/951282900.db2.gz MBDBHEOCZVKYDS-QMMMGPOBSA-N -1 1 380.865 1.793 20 0 GDADMM C[C@@H](CNC(=O)c1ccn(C)c1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575035811 951282913 /nfs/dbraw/zinc/28/29/13/951282913.db2.gz MBDBHEOCZVKYDS-QMMMGPOBSA-N -1 1 380.865 1.793 20 0 GDADMM C[C@H](CNC(=O)c1ccsc1C(F)F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575037864 951313206 /nfs/dbraw/zinc/31/32/06/951313206.db2.gz DGDHWCDYFOBKLE-SSDOTTSWSA-N -1 1 380.384 1.308 20 0 GDADMM C[C@H](CNC(=O)c1cnn(C(C)(C)C)c1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575052160 951458649 /nfs/dbraw/zinc/45/86/49/951458649.db2.gz FCFWGTRPGXBBTB-NSHDSACASA-N -1 1 384.448 1.086 20 0 GDADMM C[C@H](CNC(=O)c1cnn(C(C)(C)C)c1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575052160 951458661 /nfs/dbraw/zinc/45/86/61/951458661.db2.gz FCFWGTRPGXBBTB-NSHDSACASA-N -1 1 384.448 1.086 20 0 GDADMM C[C@@H](CNC(=O)c1cscc1Cl)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575060588 951541783 /nfs/dbraw/zinc/54/17/83/951541783.db2.gz AKFQKJDSKSZQKE-MRVPVSSYSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@@H](CNC(=O)c1cscc1Cl)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575060588 951541793 /nfs/dbraw/zinc/54/17/93/951541793.db2.gz AKFQKJDSKSZQKE-MRVPVSSYSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@@H](CNC(=O)c1csc(Cl)n1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575060789 951548299 /nfs/dbraw/zinc/54/82/99/951548299.db2.gz GPCQGRWFDZKFGA-ZETCQYMHSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@@H](CNC(=O)c1csc(Cl)n1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575060789 951548312 /nfs/dbraw/zinc/54/83/12/951548312.db2.gz GPCQGRWFDZKFGA-ZETCQYMHSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@H](CNC(=O)c1cscc1Cl)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575061205 951556245 /nfs/dbraw/zinc/55/62/45/951556245.db2.gz LMZSIBGPNBVZNF-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@H](CNC(=O)c1cscc1Cl)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575061205 951556250 /nfs/dbraw/zinc/55/62/50/951556250.db2.gz LMZSIBGPNBVZNF-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@@H](CNC(=O)c1csnn1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575061602 951558301 /nfs/dbraw/zinc/55/83/01/951558301.db2.gz NVPMVQLTPWCMNS-YFKPBYRVSA-N -1 1 385.866 1.306 20 0 GDADMM C[C@@H](CNC(=O)c1csnn1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575061602 951558309 /nfs/dbraw/zinc/55/83/09/951558309.db2.gz NVPMVQLTPWCMNS-YFKPBYRVSA-N -1 1 385.866 1.306 20 0 GDADMM C[C@H](CNC(=O)c1n[nH]cc1F)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575062124 951566844 /nfs/dbraw/zinc/56/68/44/951566844.db2.gz UFPCAFVSUCULDE-RXMQYKEDSA-N -1 1 385.816 1.317 20 0 GDADMM C[C@H](CNC(=O)c1ncccn1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575066006 951593426 /nfs/dbraw/zinc/59/34/26/951593426.db2.gz CZQNXGBFPHYPFT-SSDOTTSWSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@H](CNC(=O)c1ncccn1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575066006 951593428 /nfs/dbraw/zinc/59/34/28/951593428.db2.gz CZQNXGBFPHYPFT-SSDOTTSWSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)c1ccncc1F)C1CC1 ZINC001575128860 952073326 /nfs/dbraw/zinc/07/33/26/952073326.db2.gz NNSXSYGVCXEISU-KRWDZBQOSA-N -1 1 383.391 1.201 20 0 GDADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)c1ccncc1F)C1CC1 ZINC001575128860 952073341 /nfs/dbraw/zinc/07/33/41/952073341.db2.gz NNSXSYGVCXEISU-KRWDZBQOSA-N -1 1 383.391 1.201 20 0 GDADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)c1ccc(F)s1)C1CC1 ZINC001575129050 952075707 /nfs/dbraw/zinc/07/57/07/952075707.db2.gz PQRQRBCLMQVCEX-INIZCTEOSA-N -1 1 388.432 1.868 20 0 GDADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)c1ccc(F)s1)C1CC1 ZINC001575129050 952075713 /nfs/dbraw/zinc/07/57/13/952075713.db2.gz PQRQRBCLMQVCEX-INIZCTEOSA-N -1 1 388.432 1.868 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@]1(C)CCc2ccccc21 ZINC001575133018 952099778 /nfs/dbraw/zinc/09/97/78/952099778.db2.gz JIHDEXJZUNDOAG-ZUOKHONESA-N -1 1 392.467 1.820 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@]1(C)CCc2ccccc21 ZINC001575133018 952099786 /nfs/dbraw/zinc/09/97/86/952099786.db2.gz JIHDEXJZUNDOAG-ZUOKHONESA-N -1 1 392.467 1.820 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1scnc1C1CC1 ZINC001575133654 952106038 /nfs/dbraw/zinc/10/60/38/952106038.db2.gz FSCCUKHZCOXHOA-SECBINFHSA-N -1 1 385.457 1.563 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1scnc1C1CC1 ZINC001575133654 952106043 /nfs/dbraw/zinc/10/60/43/952106043.db2.gz FSCCUKHZCOXHOA-SECBINFHSA-N -1 1 385.457 1.563 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cnn(C(C)(C)C)c1 ZINC001575135035 952114086 /nfs/dbraw/zinc/11/40/86/952114086.db2.gz JSMHVNIEHPRKBN-NSHDSACASA-N -1 1 384.448 1.181 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cnn(C(C)(C)C)c1 ZINC001575135035 952114095 /nfs/dbraw/zinc/11/40/95/952114095.db2.gz JSMHVNIEHPRKBN-NSHDSACASA-N -1 1 384.448 1.181 20 0 GDADMM O=C([O-])Cn1cc(NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)cn1 ZINC001595147754 952122324 /nfs/dbraw/zinc/12/23/24/952122324.db2.gz FWFCYLNTZHUEMX-UHFFFAOYSA-N -1 1 391.181 1.824 20 0 GDADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)C1C=CC=CC=C1)C1CC1 ZINC001575137043 952132971 /nfs/dbraw/zinc/13/29/71/952132971.db2.gz SIIPOGYFXXHALB-IBGZPJMESA-N -1 1 378.440 1.074 20 0 GDADMM C[C@H]1CC[C@H](C(=O)N[C@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C2CC2)CC1 ZINC001575142095 952145165 /nfs/dbraw/zinc/14/51/65/952145165.db2.gz ITTJIYLDWFGILJ-VLXJIEOASA-N -1 1 384.488 1.602 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001575143448 952152538 /nfs/dbraw/zinc/15/25/38/952152538.db2.gz PNPBTXFZXHGEQT-AGKSTNPPSA-N -1 1 392.467 1.531 20 0 GDADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)CCc1ccccc1)C1CC1 ZINC001575143483 952152758 /nfs/dbraw/zinc/15/27/58/952152758.db2.gz QAOFXLSSGHWENH-FQEVSTJZSA-N -1 1 392.467 1.408 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)CCCc1cccnc1 ZINC001575154839 952231153 /nfs/dbraw/zinc/23/11/53/952231153.db2.gz VYPDCIVXHYAUQO-ZDUSSCGKSA-N -1 1 381.444 1.333 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)CCCc1cccnc1 ZINC001575154839 952231156 /nfs/dbraw/zinc/23/11/56/952231156.db2.gz VYPDCIVXHYAUQO-ZDUSSCGKSA-N -1 1 381.444 1.333 20 0 GDADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)CCc1ccoc1)C1CC1 ZINC001575154963 952232695 /nfs/dbraw/zinc/23/26/95/952232695.db2.gz IWFYUHXMSZEVCN-SFHVURJKSA-N -1 1 382.428 1.579 20 0 GDADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)CCc1ccoc1)C1CC1 ZINC001575154963 952232701 /nfs/dbraw/zinc/23/27/01/952232701.db2.gz IWFYUHXMSZEVCN-SFHVURJKSA-N -1 1 382.428 1.579 20 0 GDADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)CCc1ccco1)C1CC1 ZINC001575155313 952236554 /nfs/dbraw/zinc/23/65/54/952236554.db2.gz KWHQAQZZKBKVHR-SFHVURJKSA-N -1 1 382.428 1.579 20 0 GDADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)CCc1ccco1)C1CC1 ZINC001575155313 952236562 /nfs/dbraw/zinc/23/65/62/952236562.db2.gz KWHQAQZZKBKVHR-SFHVURJKSA-N -1 1 382.428 1.579 20 0 GDADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)CC1CC(F)(F)C1)C1CC1 ZINC001575155636 952243268 /nfs/dbraw/zinc/24/32/68/952243268.db2.gz OTWPZDNXJQUCBB-INIZCTEOSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)CC1CC(F)(F)C1)C1CC1 ZINC001575155636 952243273 /nfs/dbraw/zinc/24/32/73/952243273.db2.gz OTWPZDNXJQUCBB-INIZCTEOSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cc2c([nH]1)CCCC2 ZINC001575155717 952243921 /nfs/dbraw/zinc/24/39/21/952243921.db2.gz OYELMKPJDLNHTF-LLVKDONJSA-N -1 1 381.444 1.436 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cc2c([nH]1)CCCC2 ZINC001575155717 952243926 /nfs/dbraw/zinc/24/39/26/952243926.db2.gz OYELMKPJDLNHTF-LLVKDONJSA-N -1 1 381.444 1.436 20 0 GDADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)C[C@@H]1C[C@H]1C1CC1)C1CC1 ZINC001575155998 952247346 /nfs/dbraw/zinc/24/73/46/952247346.db2.gz QMBBTTXCJVFKCD-PTAUBWNISA-N -1 1 382.472 1.790 20 0 GDADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)C[C@@H]1C[C@H]1C1CC1)C1CC1 ZINC001575155998 952247352 /nfs/dbraw/zinc/24/73/52/952247352.db2.gz QMBBTTXCJVFKCD-PTAUBWNISA-N -1 1 382.472 1.790 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1ncc(Cl)s1 ZINC001575156648 952257307 /nfs/dbraw/zinc/25/73/07/952257307.db2.gz HFGQHUQSEZJBSZ-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1ncc(Cl)s1 ZINC001575156648 952257310 /nfs/dbraw/zinc/25/73/10/952257310.db2.gz HFGQHUQSEZJBSZ-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cnc(C2CC2)s1 ZINC001575157710 952266273 /nfs/dbraw/zinc/26/62/73/952266273.db2.gz PDFGRRHHVKGNMS-VIFPVBQESA-N -1 1 385.457 1.563 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cnc(C2CC2)s1 ZINC001575157710 952266280 /nfs/dbraw/zinc/26/62/80/952266280.db2.gz PDFGRRHHVKGNMS-VIFPVBQESA-N -1 1 385.457 1.563 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)c1cccnc1 ZINC001575164039 952285664 /nfs/dbraw/zinc/28/56/64/952285664.db2.gz AZYBCTKWRTZTAB-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)c1cccnc1 ZINC001575164039 952285669 /nfs/dbraw/zinc/28/56/69/952285669.db2.gz AZYBCTKWRTZTAB-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)[C@@H]1CCCCO1 ZINC001575164639 952294603 /nfs/dbraw/zinc/29/46/03/952294603.db2.gz GOHHSOOBZOLCHY-IUCAKERBSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)[C@@H]1CCCCO1 ZINC001575164639 952294611 /nfs/dbraw/zinc/29/46/11/952294611.db2.gz GOHHSOOBZOLCHY-IUCAKERBSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)[C@]1(F)CCOC1 ZINC001575166026 952319782 /nfs/dbraw/zinc/31/97/82/952319782.db2.gz SCRURXOLPVSODE-CPFSXVBKSA-N -1 1 389.844 1.364 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)[C@]1(F)CCOC1 ZINC001575166026 952319790 /nfs/dbraw/zinc/31/97/90/952319790.db2.gz SCRURXOLPVSODE-CPFSXVBKSA-N -1 1 389.844 1.364 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)Cc1ccc[nH]1 ZINC001575166700 952325296 /nfs/dbraw/zinc/32/52/96/952325296.db2.gz XMJDRLJOVYQOCE-MRVPVSSYSA-N -1 1 380.865 1.806 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)Cc1ccc[nH]1 ZINC001575166700 952325304 /nfs/dbraw/zinc/32/53/04/952325304.db2.gz XMJDRLJOVYQOCE-MRVPVSSYSA-N -1 1 380.865 1.806 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)C1(c2cccnc2)CC1 ZINC001575174264 952367246 /nfs/dbraw/zinc/36/72/46/952367246.db2.gz KSCYXNMPJQRRBE-GFCCVEGCSA-N -1 1 379.428 1.042 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)C1(c2cccnc2)CC1 ZINC001575174264 952367253 /nfs/dbraw/zinc/36/72/53/952367253.db2.gz KSCYXNMPJQRRBE-GFCCVEGCSA-N -1 1 379.428 1.042 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)[C@@]1(C)CCOC1 ZINC001575174664 952376116 /nfs/dbraw/zinc/37/61/16/952376116.db2.gz BWGIPUPNQULAGO-RTHLEPHNSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)[C@@]1(C)CCOC1 ZINC001575174664 952376120 /nfs/dbraw/zinc/37/61/20/952376120.db2.gz BWGIPUPNQULAGO-RTHLEPHNSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)C1=COCCO1 ZINC001575178830 952408940 /nfs/dbraw/zinc/40/89/40/952408940.db2.gz NXKPSKHFRCZIEB-ZETCQYMHSA-N -1 1 385.837 1.124 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)C1=COCCO1 ZINC001575178830 952408947 /nfs/dbraw/zinc/40/89/47/952408947.db2.gz NXKPSKHFRCZIEB-ZETCQYMHSA-N -1 1 385.837 1.124 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)Cn1cccn1 ZINC001575180991 952421008 /nfs/dbraw/zinc/42/10/08/952421008.db2.gz ZHYNJTVBLSIYQP-MRVPVSSYSA-N -1 1 381.853 1.132 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)Cn1cccn1 ZINC001575180991 952421010 /nfs/dbraw/zinc/42/10/10/952421010.db2.gz ZHYNJTVBLSIYQP-MRVPVSSYSA-N -1 1 381.853 1.132 20 0 GDADMM C[C@H](Cc1ccc(F)cc1)C(=O)N[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001575188888 952451334 /nfs/dbraw/zinc/45/13/34/952451334.db2.gz KSYBYUBEHRJLCZ-NEPJUHHUSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@H](Cc1ccc(F)cc1)C(=O)N[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001575188888 952451337 /nfs/dbraw/zinc/45/13/37/952451337.db2.gz KSYBYUBEHRJLCZ-NEPJUHHUSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575189345 952455907 /nfs/dbraw/zinc/45/59/07/952455907.db2.gz NMYHEESSZHFQES-QWHCGFSZSA-N -1 1 382.428 1.166 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575189345 952455914 /nfs/dbraw/zinc/45/59/14/952455914.db2.gz NMYHEESSZHFQES-QWHCGFSZSA-N -1 1 382.428 1.166 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575196151 952473849 /nfs/dbraw/zinc/47/38/49/952473849.db2.gz DVLJVTLCUBOEBX-QWHCGFSZSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575196151 952473852 /nfs/dbraw/zinc/47/38/52/952473852.db2.gz DVLJVTLCUBOEBX-QWHCGFSZSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001575196611 952475906 /nfs/dbraw/zinc/47/59/06/952475906.db2.gz HSPKMPLGRBTSEW-RISCZKNCSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001575196611 952475907 /nfs/dbraw/zinc/47/59/07/952475907.db2.gz HSPKMPLGRBTSEW-RISCZKNCSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NCC1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001575197170 952480391 /nfs/dbraw/zinc/48/03/91/952480391.db2.gz OKMAOEAIWRUIJH-HIFPTAJRSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NCC1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001575197170 952480395 /nfs/dbraw/zinc/48/03/95/952480395.db2.gz OKMAOEAIWRUIJH-HIFPTAJRSA-N -1 1 382.428 1.435 20 0 GDADMM Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nnn[n-]2)cc1C ZINC001571121296 952519094 /nfs/dbraw/zinc/51/90/94/952519094.db2.gz XWQUBSXORCELQW-GJZGRUSLSA-N -1 1 376.424 1.377 20 0 GDADMM Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nn[n-]n2)cc1C ZINC001571121296 952519099 /nfs/dbraw/zinc/51/90/99/952519099.db2.gz XWQUBSXORCELQW-GJZGRUSLSA-N -1 1 376.424 1.377 20 0 GDADMM O=C(c1csc(Cl)c1)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571121646 952520220 /nfs/dbraw/zinc/52/02/20/952520220.db2.gz BFKXGVLCMHQKAD-SECBINFHSA-N -1 1 376.833 1.698 20 0 GDADMM O=C(c1csc(Cl)c1)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571121646 952520223 /nfs/dbraw/zinc/52/02/23/952520223.db2.gz BFKXGVLCMHQKAD-SECBINFHSA-N -1 1 376.833 1.698 20 0 GDADMM CC1(C)CO[C@@H](CC(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001571123095 952528190 /nfs/dbraw/zinc/52/81/90/952528190.db2.gz OIGGVLKZIYMHRQ-LBPRGKRZSA-N -1 1 376.486 1.434 20 0 GDADMM O=C([C@@H]1C[C@H]1c1ccccc1)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571124079 952533358 /nfs/dbraw/zinc/53/33/58/952533358.db2.gz YRTAEWKEOBDWTC-SOUVJXGZSA-N -1 1 376.424 1.473 20 0 GDADMM O=C([C@@H]1C[C@H]1c1ccccc1)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571124079 952533363 /nfs/dbraw/zinc/53/33/63/952533363.db2.gz YRTAEWKEOBDWTC-SOUVJXGZSA-N -1 1 376.424 1.473 20 0 GDADMM CN([C@@H](CO)c1ccccc1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001571124825 952545696 /nfs/dbraw/zinc/54/56/96/952545696.db2.gz VUGNEXOMVNFYHY-ZDUSSCGKSA-N -1 1 377.401 1.360 20 0 GDADMM CN([C@@H](CO)c1ccccc1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001571124825 952545697 /nfs/dbraw/zinc/54/56/97/952545697.db2.gz VUGNEXOMVNFYHY-ZDUSSCGKSA-N -1 1 377.401 1.360 20 0 GDADMM Cc1nsc(NC[C@@H]2CCCN(C(=O)[C@@H]3CCCO3)C2)c1-c1nn[n-]n1 ZINC001571127381 952553563 /nfs/dbraw/zinc/55/35/63/952553563.db2.gz FXFYCSXAWDWMLN-RYUDHWBXSA-N -1 1 377.474 1.461 20 0 GDADMM O=C(c1ncc(Cl)s1)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571127317 952553966 /nfs/dbraw/zinc/55/39/66/952553966.db2.gz CTKXBQOTHRFOOF-SSDOTTSWSA-N -1 1 377.821 1.093 20 0 GDADMM O=C(c1ncc(Cl)s1)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571127317 952553969 /nfs/dbraw/zinc/55/39/69/952553969.db2.gz CTKXBQOTHRFOOF-SSDOTTSWSA-N -1 1 377.821 1.093 20 0 GDADMM CC[C@H](OC)C(=O)N1CC[C@H]2CN(c3snc(C)c3-c3nn[n-]n3)C[C@H]21 ZINC001571127538 952557067 /nfs/dbraw/zinc/55/70/67/952557067.db2.gz HGICTDQUSZREFW-TUAOUCFPSA-N -1 1 377.474 1.094 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001575213591 952558702 /nfs/dbraw/zinc/55/87/02/952558702.db2.gz BMRZLWDZVUHQGK-RTCCRHLQSA-N -1 1 392.414 1.137 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575213643 952559088 /nfs/dbraw/zinc/55/90/88/952559088.db2.gz DITUKCPRMOSIRF-SNVBAGLBSA-N -1 1 380.403 1.163 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001575215488 952568174 /nfs/dbraw/zinc/56/81/74/952568174.db2.gz UPLMXGJZZOVRHQ-UHFFFAOYSA-N -1 1 380.403 1.423 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001575215488 952568179 /nfs/dbraw/zinc/56/81/79/952568179.db2.gz UPLMXGJZZOVRHQ-UHFFFAOYSA-N -1 1 380.403 1.423 20 0 GDADMM O=C([C@@H]1CCC1(F)F)N1CC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571129331 952574153 /nfs/dbraw/zinc/57/41/53/952574153.db2.gz CLDPAFABIAYJET-MNOVXSKESA-N -1 1 378.387 1.353 20 0 GDADMM O=C([C@@H]1CCC1(F)F)N1CC[C@@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571129331 952574155 /nfs/dbraw/zinc/57/41/55/952574155.db2.gz CLDPAFABIAYJET-MNOVXSKESA-N -1 1 378.387 1.353 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571130159 952578616 /nfs/dbraw/zinc/57/86/16/952578616.db2.gz OWABFYDPMVHHFM-ONGXEEELSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571130159 952578621 /nfs/dbraw/zinc/57/86/21/952578621.db2.gz OWABFYDPMVHHFM-ONGXEEELSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@@H]1C[C@@H]1C(=O)NCc1ccc(CCNc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001571134770 952595434 /nfs/dbraw/zinc/59/54/34/952595434.db2.gz LIPCECPQUJQZRK-DOMZBBRYSA-N -1 1 378.440 1.584 20 0 GDADMM C[C@@H]1C[C@@H]1C(=O)NCc1ccc(CCNc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001571134770 952595437 /nfs/dbraw/zinc/59/54/37/952595437.db2.gz LIPCECPQUJQZRK-DOMZBBRYSA-N -1 1 378.440 1.584 20 0 GDADMM Cc1cccc([C@H](C)C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571134944 952597519 /nfs/dbraw/zinc/59/75/19/952597519.db2.gz PCQGJAKAFOKOOG-ZFWWWQNUSA-N -1 1 378.440 1.782 20 0 GDADMM Cc1cccc([C@H](C)C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571134944 952597521 /nfs/dbraw/zinc/59/75/21/952597521.db2.gz PCQGJAKAFOKOOG-ZFWWWQNUSA-N -1 1 378.440 1.782 20 0 GDADMM CCc1nc(N[C@H]2C[C@@H](NC(=O)c3ccccc3C)C2)cc(-c2nnn[n-]2)n1 ZINC001571134932 952597831 /nfs/dbraw/zinc/59/78/31/952597831.db2.gz NRGKVHAQYUYYCR-BETUJISGSA-N -1 1 378.440 1.900 20 0 GDADMM CCc1nc(N[C@H]2C[C@@H](NC(=O)c3ccccc3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571134932 952597837 /nfs/dbraw/zinc/59/78/37/952597837.db2.gz NRGKVHAQYUYYCR-BETUJISGSA-N -1 1 378.440 1.900 20 0 GDADMM CCc1ccccc1C(=O)NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571135272 952601275 /nfs/dbraw/zinc/60/12/75/952601275.db2.gz SETKVVYYCGHODM-ZDUSSCGKSA-N -1 1 378.440 1.475 20 0 GDADMM CCc1ccccc1C(=O)NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571135272 952601276 /nfs/dbraw/zinc/60/12/76/952601276.db2.gz SETKVVYYCGHODM-ZDUSSCGKSA-N -1 1 378.440 1.475 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccccc1 ZINC001571135292 952601381 /nfs/dbraw/zinc/60/13/81/952601381.db2.gz STVXSGQZKQFKDL-ZFWWWQNUSA-N -1 1 378.440 1.545 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccccc1 ZINC001571135292 952601383 /nfs/dbraw/zinc/60/13/83/952601383.db2.gz STVXSGQZKQFKDL-ZFWWWQNUSA-N -1 1 378.440 1.545 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001571135339 952602580 /nfs/dbraw/zinc/60/25/80/952602580.db2.gz UKZXZKCZBSLDOF-DZGCQCFKSA-N -1 1 378.440 1.285 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)[C@@H]2C)c(C)c1 ZINC001571135464 952604706 /nfs/dbraw/zinc/60/47/06/952604706.db2.gz YDNMLRWMXUXRAJ-HIFRSBDPSA-N -1 1 378.440 1.671 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)[C@@H]2C)c(C)c1 ZINC001571135464 952604708 /nfs/dbraw/zinc/60/47/08/952604708.db2.gz YDNMLRWMXUXRAJ-HIFRSBDPSA-N -1 1 378.440 1.671 20 0 GDADMM CCc1cccc(CC(=O)N[C@H]2C[C@H](Nc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571135576 952606136 /nfs/dbraw/zinc/60/61/36/952606136.db2.gz XIBVBPJGELGBEO-SHTZXODSSA-N -1 1 378.440 1.521 20 0 GDADMM CCc1cccc(CC(=O)N[C@H]2C[C@H](Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571135576 952606139 /nfs/dbraw/zinc/60/61/39/952606139.db2.gz XIBVBPJGELGBEO-SHTZXODSSA-N -1 1 378.440 1.521 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2cc[nH]c2)CCN1c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001571140533 952626646 /nfs/dbraw/zinc/62/66/46/952626646.db2.gz CEBDYDLFAZHQQS-APPZFPTMSA-N -1 1 378.849 1.702 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2cc[nH]c2)CCN1c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001571140533 952626649 /nfs/dbraw/zinc/62/66/49/952626649.db2.gz CEBDYDLFAZHQQS-APPZFPTMSA-N -1 1 378.849 1.702 20 0 GDADMM O=C(C1C=CC=CC=C1)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571140509 952627149 /nfs/dbraw/zinc/62/71/49/952627149.db2.gz BOSYXEFTRYMPJX-HNNXBMFYSA-N -1 1 378.440 1.748 20 0 GDADMM O=C(C1C=CC=CC=C1)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571140509 952627150 /nfs/dbraw/zinc/62/71/50/952627150.db2.gz BOSYXEFTRYMPJX-HNNXBMFYSA-N -1 1 378.440 1.748 20 0 GDADMM O=C(N[C@H]1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C1C=CC=CC=C1 ZINC001571141021 952630960 /nfs/dbraw/zinc/63/09/60/952630960.db2.gz FRKKXMTZTRHLTC-HIFRSBDPSA-N -1 1 378.440 1.652 20 0 GDADMM O=C(N[C@H]1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C1C=CC=CC=C1 ZINC001571141021 952630965 /nfs/dbraw/zinc/63/09/65/952630965.db2.gz FRKKXMTZTRHLTC-HIFRSBDPSA-N -1 1 378.440 1.652 20 0 GDADMM O=C(N[C@H]1CCCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1)c1ccccn1 ZINC001571146527 952648684 /nfs/dbraw/zinc/64/86/84/952648684.db2.gz HUFMOPOXEYXWSK-OLZOCXBDSA-N -1 1 379.428 1.452 20 0 GDADMM O=C(N[C@H]1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1)c1ccccn1 ZINC001571146527 952648689 /nfs/dbraw/zinc/64/86/89/952648689.db2.gz HUFMOPOXEYXWSK-OLZOCXBDSA-N -1 1 379.428 1.452 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cccnc2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571147886 952664417 /nfs/dbraw/zinc/66/44/17/952664417.db2.gz RSJYLCZFMBVLOO-JSGCOSHPSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cccnc2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571147886 952664418 /nfs/dbraw/zinc/66/44/18/952664418.db2.gz RSJYLCZFMBVLOO-JSGCOSHPSA-N -1 1 379.428 1.405 20 0 GDADMM O=C(c1cccnc1)N1CCCC[C@@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001571150957 952671261 /nfs/dbraw/zinc/67/12/61/952671261.db2.gz IIQYMWYWDJMLKY-CQSZACIVSA-N -1 1 379.428 1.549 20 0 GDADMM O=C(c1cccnc1)N1CCCC[C@@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001571150957 952671263 /nfs/dbraw/zinc/67/12/63/952671263.db2.gz IIQYMWYWDJMLKY-CQSZACIVSA-N -1 1 379.428 1.549 20 0 GDADMM CO[C@@H](C)C(=O)N1CCC[C@H](CCNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571153659 952687118 /nfs/dbraw/zinc/68/71/18/952687118.db2.gz SULNTBGTTCFPAJ-NWDGAFQWSA-N -1 1 379.490 1.707 20 0 GDADMM O=C(Cc1ccco1)N[C@@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571153959 952688179 /nfs/dbraw/zinc/68/81/79/952688179.db2.gz WYVIBWLCOXMBHA-MRVPVSSYSA-N -1 1 379.833 1.507 20 0 GDADMM O=C(Cc1ccco1)N[C@@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571153959 952688183 /nfs/dbraw/zinc/68/81/83/952688183.db2.gz WYVIBWLCOXMBHA-MRVPVSSYSA-N -1 1 379.833 1.507 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)C(C)(C)C(F)F)C1)c1nccnc1-c1nnn[n-]1 ZINC001571155105 952692551 /nfs/dbraw/zinc/69/25/51/952692551.db2.gz HZRXTFBIDFJZEP-JTQLQIEISA-N -1 1 380.403 1.233 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)C(C)(C)C(F)F)C1)c1nccnc1-c1nn[n-]n1 ZINC001571155105 952692554 /nfs/dbraw/zinc/69/25/54/952692554.db2.gz HZRXTFBIDFJZEP-JTQLQIEISA-N -1 1 380.403 1.233 20 0 GDADMM C[C@H](Nc1nccnc1-c1nnn[n-]1)[C@H]1CCCCN1C(=O)CC(C)(F)F ZINC001571155527 952697749 /nfs/dbraw/zinc/69/77/49/952697749.db2.gz VNMBVBCPFZNZFT-WDEREUQCSA-N -1 1 380.403 1.884 20 0 GDADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)[C@H]1CCCCN1C(=O)CC(C)(F)F ZINC001571155527 952697751 /nfs/dbraw/zinc/69/77/51/952697751.db2.gz VNMBVBCPFZNZFT-WDEREUQCSA-N -1 1 380.403 1.884 20 0 GDADMM Cc1cc(C(=O)NC[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)ccn1 ZINC001571156765 952704593 /nfs/dbraw/zinc/70/45/93/952704593.db2.gz JFMURAWDUHIUIJ-ZDUSSCGKSA-N -1 1 379.428 1.007 20 0 GDADMM Cc1cc(C(=O)NC[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)ccn1 ZINC001571156765 952704596 /nfs/dbraw/zinc/70/45/96/952704596.db2.gz JFMURAWDUHIUIJ-ZDUSSCGKSA-N -1 1 379.428 1.007 20 0 GDADMM Cc1cnc(C(=O)NC2CC(CNc3cncc(-c4nnn[n-]4)n3)C2)c(C)c1 ZINC001571158873 952714490 /nfs/dbraw/zinc/71/44/90/952714490.db2.gz SVHZYBYGAWNFGY-UHFFFAOYSA-N -1 1 379.428 1.289 20 0 GDADMM Cc1cnc(C(=O)NC2CC(CNc3cncc(-c4nn[n-]n4)n3)C2)c(C)c1 ZINC001571158873 952714494 /nfs/dbraw/zinc/71/44/94/952714494.db2.gz SVHZYBYGAWNFGY-UHFFFAOYSA-N -1 1 379.428 1.289 20 0 GDADMM Cc1cc(C)nc(C(=O)N2CCC(Nc3nccnc3-c3nnn[n-]3)CC2)c1 ZINC001571158846 952714532 /nfs/dbraw/zinc/71/45/32/952714532.db2.gz SHFKBFJTPXTGOJ-UHFFFAOYSA-N -1 1 379.428 1.385 20 0 GDADMM Cc1cc(C)nc(C(=O)N2CCC(Nc3nccnc3-c3nn[n-]n3)CC2)c1 ZINC001571158846 952714537 /nfs/dbraw/zinc/71/45/37/952714537.db2.gz SHFKBFJTPXTGOJ-UHFFFAOYSA-N -1 1 379.428 1.385 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCN3c3cnc(-c4nnn[n-]4)cn3)C2)o1 ZINC001571158726 952714929 /nfs/dbraw/zinc/71/49/29/952714929.db2.gz NMPVIKIUXNBIDM-GXTWGEPZSA-N -1 1 380.412 1.299 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCN3c3cnc(-c4nn[n-]n4)cn3)C2)o1 ZINC001571158726 952714935 /nfs/dbraw/zinc/71/49/35/952714935.db2.gz NMPVIKIUXNBIDM-GXTWGEPZSA-N -1 1 380.412 1.299 20 0 GDADMM COc1cccc(C(=O)N2CCC(Nc3nccnc3-c3nnn[n-]3)CC2)c1 ZINC001571158973 952715612 /nfs/dbraw/zinc/71/56/12/952715612.db2.gz OINKDJOLMJXRQO-UHFFFAOYSA-N -1 1 380.412 1.382 20 0 GDADMM COc1cccc(C(=O)N2CCC(Nc3nccnc3-c3nn[n-]n3)CC2)c1 ZINC001571158973 952715616 /nfs/dbraw/zinc/71/56/16/952715616.db2.gz OINKDJOLMJXRQO-UHFFFAOYSA-N -1 1 380.412 1.382 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nnn[n-]3)n2)oc1C ZINC001571159322 952718045 /nfs/dbraw/zinc/71/80/45/952718045.db2.gz UOHUHLXWRBJPAJ-BZPMIXESSA-N -1 1 380.412 1.406 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nn[n-]n3)n2)oc1C ZINC001571159322 952718049 /nfs/dbraw/zinc/71/80/49/952718049.db2.gz UOHUHLXWRBJPAJ-BZPMIXESSA-N -1 1 380.412 1.406 20 0 GDADMM O=C(COc1ccccc1)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571160090 952724391 /nfs/dbraw/zinc/72/43/91/952724391.db2.gz DLSRMLKMKFCIHF-CYBMUJFWSA-N -1 1 380.412 1.139 20 0 GDADMM O=C(COc1ccccc1)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571160090 952724396 /nfs/dbraw/zinc/72/43/96/952724396.db2.gz DLSRMLKMKFCIHF-CYBMUJFWSA-N -1 1 380.412 1.139 20 0 GDADMM Cc1cnc(C(=O)N2CC[C@H](N(C)c3ccnc(-c4nn[n-]n4)n3)C2)cc1C ZINC001571160333 952725345 /nfs/dbraw/zinc/72/53/45/952725345.db2.gz YPLATSBCQASZJA-ZDUSSCGKSA-N -1 1 379.428 1.019 20 0 GDADMM Cc1cocc1C(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571161456 952733148 /nfs/dbraw/zinc/73/31/48/952733148.db2.gz WELDLBWXHFBDKL-HUUCEWRRSA-N -1 1 380.412 1.442 20 0 GDADMM Cc1cocc1C(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571161456 952733151 /nfs/dbraw/zinc/73/31/51/952733151.db2.gz WELDLBWXHFBDKL-HUUCEWRRSA-N -1 1 380.412 1.442 20 0 GDADMM C[C@@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CN1C(=O)c1cc(C2CC2)no1 ZINC001571170777 952788230 /nfs/dbraw/zinc/78/82/30/952788230.db2.gz LKXMFAXNGSOPGZ-MWLCHTKSSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CN1C(=O)c1cc(C2CC2)no1 ZINC001571170777 952788233 /nfs/dbraw/zinc/78/82/33/952788233.db2.gz LKXMFAXNGSOPGZ-MWLCHTKSSA-N -1 1 381.400 1.237 20 0 GDADMM O=C([C@H]1CC12CCC2)N1C[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571172222 952804142 /nfs/dbraw/zinc/80/41/42/952804142.db2.gz PUQVFPUMYOUOQR-HZSPNIEDSA-N -1 1 380.456 1.132 20 0 GDADMM O=C(c1cc(C2CC2)on1)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571178509 952842172 /nfs/dbraw/zinc/84/21/72/952842172.db2.gz LHQQLRNSPRPSMY-LLVKDONJSA-N -1 1 381.400 1.239 20 0 GDADMM O=C(c1cc(C2CC2)on1)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571178509 952842180 /nfs/dbraw/zinc/84/21/80/952842180.db2.gz LHQQLRNSPRPSMY-LLVKDONJSA-N -1 1 381.400 1.239 20 0 GDADMM CCCc1[nH]ccc1C(=O)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571183467 952879080 /nfs/dbraw/zinc/87/90/80/952879080.db2.gz BBZWPKUCEZDVST-GFCCVEGCSA-N -1 1 381.444 1.654 20 0 GDADMM CCCc1[nH]ccc1C(=O)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571183467 952879085 /nfs/dbraw/zinc/87/90/85/952879085.db2.gz BBZWPKUCEZDVST-GFCCVEGCSA-N -1 1 381.444 1.654 20 0 GDADMM CC(C)n1cccc1C(=O)N(C)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571183711 952881899 /nfs/dbraw/zinc/88/18/99/952881899.db2.gz HZMVKIITNJOWJV-ZDUSSCGKSA-N -1 1 381.444 1.390 20 0 GDADMM CC(C)n1cccc1C(=O)N(C)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571183711 952881903 /nfs/dbraw/zinc/88/19/03/952881903.db2.gz HZMVKIITNJOWJV-ZDUSSCGKSA-N -1 1 381.444 1.390 20 0 GDADMM CC(C)n1cccc1C(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571183710 952881937 /nfs/dbraw/zinc/88/19/37/952881937.db2.gz HZMVKIITNJOWJV-CYBMUJFWSA-N -1 1 381.444 1.390 20 0 GDADMM CC(C)n1cccc1C(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571183710 952881941 /nfs/dbraw/zinc/88/19/41/952881941.db2.gz HZMVKIITNJOWJV-CYBMUJFWSA-N -1 1 381.444 1.390 20 0 GDADMM CC[C@H]1CN(C(=O)c2[nH]ccc2C)CC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571183795 952882882 /nfs/dbraw/zinc/88/28/82/952882882.db2.gz JSBGTVZEMMIYQI-QWHCGFSZSA-N -1 1 381.444 1.646 20 0 GDADMM CC[C@H]1CN(C(=O)c2[nH]ccc2C)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571183795 952882888 /nfs/dbraw/zinc/88/28/88/952882888.db2.gz JSBGTVZEMMIYQI-QWHCGFSZSA-N -1 1 381.444 1.646 20 0 GDADMM CCc1[nH]ccc1C(=O)N1CC[C@@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571183942 952886200 /nfs/dbraw/zinc/88/62/00/952886200.db2.gz NFCZMVKPUGYHDE-GFCCVEGCSA-N -1 1 381.444 1.512 20 0 GDADMM CCc1[nH]ccc1C(=O)N1CC[C@@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571183942 952886208 /nfs/dbraw/zinc/88/62/08/952886208.db2.gz NFCZMVKPUGYHDE-GFCCVEGCSA-N -1 1 381.444 1.512 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571184399 952893023 /nfs/dbraw/zinc/89/30/23/952893023.db2.gz YKHQAFIGCSSQOW-GOSISDBHSA-N -1 1 381.444 1.438 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571184399 952893036 /nfs/dbraw/zinc/89/30/36/952893036.db2.gz YKHQAFIGCSSQOW-GOSISDBHSA-N -1 1 381.444 1.438 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CCCC[C@@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001571184608 952895590 /nfs/dbraw/zinc/89/55/90/952895590.db2.gz AYMZCDJBKRPQKK-CYBMUJFWSA-N -1 1 381.444 1.424 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CCCC[C@@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001571184608 952895594 /nfs/dbraw/zinc/89/55/94/952895594.db2.gz AYMZCDJBKRPQKK-CYBMUJFWSA-N -1 1 381.444 1.424 20 0 GDADMM CCn1cccc1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001571185012 952898644 /nfs/dbraw/zinc/89/86/44/952898644.db2.gz GSFXHGSKYCEWMH-OLZOCXBDSA-N -1 1 381.444 1.265 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)n1C ZINC001571187810 952909860 /nfs/dbraw/zinc/90/98/60/952909860.db2.gz CFKHXSTVHKVNAN-STQMWFEESA-N -1 1 381.444 1.314 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)n1C ZINC001571187810 952909866 /nfs/dbraw/zinc/90/98/66/952909866.db2.gz CFKHXSTVHKVNAN-STQMWFEESA-N -1 1 381.444 1.314 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)[C@@H]2C)n1C ZINC001571189562 952930394 /nfs/dbraw/zinc/93/03/94/952930394.db2.gz XLWOBSLLVWCWEY-OLZOCXBDSA-N -1 1 381.444 1.091 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)C[C@H]1C)C1CC1 ZINC001571193153 952951390 /nfs/dbraw/zinc/95/13/90/952951390.db2.gz YVGFXAVGQRWJKP-NQMVMOMDSA-N -1 1 381.893 1.964 20 0 GDADMM COc1cnc([C@@H]2CCCN2C(=O)c2ncc(-c3nn[nH]n3)cc2C)[n-]c1=O ZINC001571194712 952967110 /nfs/dbraw/zinc/96/71/10/952967110.db2.gz RLFFMRZVMVETPG-NSHDSACASA-N -1 1 382.384 1.052 20 0 GDADMM C[C@@]1(NC(=O)c2ccc(CF)cc2)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571195454 952976191 /nfs/dbraw/zinc/97/61/91/952976191.db2.gz AEOIXQPSDDBBSG-GOSISDBHSA-N -1 1 382.403 1.525 20 0 GDADMM Cc1ccc(F)c(C(=O)N2CC[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571195708 952977785 /nfs/dbraw/zinc/97/77/85/952977785.db2.gz DXAVBPVOTFBNAU-LBPRGKRZSA-N -1 1 382.403 1.678 20 0 GDADMM Cc1ccc(F)c(C(=O)N2CC[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571195708 952977791 /nfs/dbraw/zinc/97/77/91/952977791.db2.gz DXAVBPVOTFBNAU-LBPRGKRZSA-N -1 1 382.403 1.678 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)cc1F ZINC001571196344 952981629 /nfs/dbraw/zinc/98/16/29/952981629.db2.gz JDFWOLWDWCNEKI-CYBMUJFWSA-N -1 1 382.403 1.821 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)cc1F ZINC001571196344 952981631 /nfs/dbraw/zinc/98/16/31/952981631.db2.gz JDFWOLWDWCNEKI-CYBMUJFWSA-N -1 1 382.403 1.821 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(F)cc2)CC[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571196808 952984661 /nfs/dbraw/zinc/98/46/61/952984661.db2.gz OIAQRUNOHWVWKU-FZMZJTMJSA-N -1 1 382.403 1.759 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(F)cc2)CC[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571196808 952984666 /nfs/dbraw/zinc/98/46/66/952984666.db2.gz OIAQRUNOHWVWKU-FZMZJTMJSA-N -1 1 382.403 1.759 20 0 GDADMM Cc1c(F)cccc1C(=O)N[C@@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571197228 952986980 /nfs/dbraw/zinc/98/69/80/952986980.db2.gz UQNJPSUUSLKSTF-SFHVURJKSA-N -1 1 382.403 1.503 20 0 GDADMM Cc1c(F)cccc1C(=O)N[C@@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571197228 952986983 /nfs/dbraw/zinc/98/69/83/952986983.db2.gz UQNJPSUUSLKSTF-SFHVURJKSA-N -1 1 382.403 1.503 20 0 GDADMM Cc1ccc(F)c(C(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C)c1 ZINC001571197149 952987052 /nfs/dbraw/zinc/98/70/52/952987052.db2.gz STJQYDUPRHYKCP-IAQYHMDHSA-N -1 1 382.403 1.359 20 0 GDADMM Cc1ccc(F)c(C(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C)c1 ZINC001571197149 952987055 /nfs/dbraw/zinc/98/70/55/952987055.db2.gz STJQYDUPRHYKCP-IAQYHMDHSA-N -1 1 382.403 1.359 20 0 GDADMM CCc1nc(N[C@@H]2CCCN(C(=O)c3ccoc3C)C2)cc(-c2nnn[n-]2)n1 ZINC001571199580 953001766 /nfs/dbraw/zinc/00/17/66/953001766.db2.gz VWXVAKNCWIAHJM-GFCCVEGCSA-N -1 1 382.428 1.837 20 0 GDADMM CCc1nc(N[C@@H]2CCCN(C(=O)c3ccoc3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571199580 953001770 /nfs/dbraw/zinc/00/17/70/953001770.db2.gz VWXVAKNCWIAHJM-GFCCVEGCSA-N -1 1 382.428 1.837 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H](C)C[C@H]2CNc2cnc(-c3nnn[n-]3)cn2)co1 ZINC001571200095 953007729 /nfs/dbraw/zinc/00/77/29/953007729.db2.gz ARMFLSSNOONLRK-RISCZKNCSA-N -1 1 382.428 1.911 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H](C)C[C@H]2CNc2cnc(-c3nn[n-]n3)cn2)co1 ZINC001571200095 953007734 /nfs/dbraw/zinc/00/77/34/953007734.db2.gz ARMFLSSNOONLRK-RISCZKNCSA-N -1 1 382.428 1.911 20 0 GDADMM Cc1ccoc1C(=O)N1CCC[C@H]([C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571200107 953007892 /nfs/dbraw/zinc/00/78/92/953007892.db2.gz ARSSFEYQBVGNKQ-OLZOCXBDSA-N -1 1 382.428 1.911 20 0 GDADMM Cc1ccoc1C(=O)N1CCC[C@H]([C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571200107 953007894 /nfs/dbraw/zinc/00/78/94/953007894.db2.gz ARSSFEYQBVGNKQ-OLZOCXBDSA-N -1 1 382.428 1.911 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H]1CCCCN1C(=O)Cc1ccoc1 ZINC001571200305 953008390 /nfs/dbraw/zinc/00/83/90/953008390.db2.gz HIPMGSMPQPLIFS-TZMCWYRMSA-N -1 1 382.428 1.674 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H]1CCCCN1C(=O)Cc1ccoc1 ZINC001571200305 953008395 /nfs/dbraw/zinc/00/83/95/953008395.db2.gz HIPMGSMPQPLIFS-TZMCWYRMSA-N -1 1 382.428 1.674 20 0 GDADMM Cc1ccoc1CC(=O)N1C[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001571200845 953013147 /nfs/dbraw/zinc/01/31/47/953013147.db2.gz GRWBRAMYKOUMGE-OLZOCXBDSA-N -1 1 382.428 1.511 20 0 GDADMM Cc1ccoc1CC(=O)N1C[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001571200845 953013149 /nfs/dbraw/zinc/01/31/49/953013149.db2.gz GRWBRAMYKOUMGE-OLZOCXBDSA-N -1 1 382.428 1.511 20 0 GDADMM C[C@@H](C(=O)N1CCC(C)(Nc2cnc(-c3nnn[n-]3)cn2)CC1)c1ccco1 ZINC001571201171 953016332 /nfs/dbraw/zinc/01/63/32/953016332.db2.gz OXSDWVUQJTYMMI-GFCCVEGCSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@@H](C(=O)N1CCC(C)(Nc2cnc(-c3nn[n-]n3)cn2)CC1)c1ccco1 ZINC001571201171 953016334 /nfs/dbraw/zinc/01/63/34/953016334.db2.gz OXSDWVUQJTYMMI-GFCCVEGCSA-N -1 1 382.428 1.846 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@@H]2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)o1 ZINC001571201391 953017187 /nfs/dbraw/zinc/01/71/87/953017187.db2.gz LUOHQWWQRDCERP-CHWSQXEVSA-N -1 1 382.428 1.877 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@@H]2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)o1 ZINC001571201391 953017191 /nfs/dbraw/zinc/01/71/91/953017191.db2.gz LUOHQWWQRDCERP-CHWSQXEVSA-N -1 1 382.428 1.877 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)[C@@H](C)C2)co1 ZINC001571202322 953023785 /nfs/dbraw/zinc/02/37/85/953023785.db2.gz TUSBGTPPDCBQOJ-AAEUAGOBSA-N -1 1 382.428 1.190 20 0 GDADMM Cc1ccoc1C(=O)N1CCC(CCNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571202679 953027471 /nfs/dbraw/zinc/02/74/71/953027471.db2.gz XLRDIEGEMGGTFU-UHFFFAOYSA-N -1 1 382.428 1.913 20 0 GDADMM Cc1ccoc1C(=O)N1CCC(CCNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571202679 953027473 /nfs/dbraw/zinc/02/74/73/953027473.db2.gz XLRDIEGEMGGTFU-UHFFFAOYSA-N -1 1 382.428 1.913 20 0 GDADMM Cc1oc(C)c(C(=O)NC[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c1C ZINC001571204657 953031264 /nfs/dbraw/zinc/03/12/64/953031264.db2.gz BBNLBVCZBFHQBV-JOCQHMNTSA-N -1 1 382.428 1.795 20 0 GDADMM Cc1oc(C)c(C(=O)NC[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c1C ZINC001571204657 953031268 /nfs/dbraw/zinc/03/12/68/953031268.db2.gz BBNLBVCZBFHQBV-JOCQHMNTSA-N -1 1 382.428 1.795 20 0 GDADMM Cc1n[nH]cc1C(=O)N1CCC[C@@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571206051 953045989 /nfs/dbraw/zinc/04/59/89/953045989.db2.gz CUGZIYBURFTUFO-ZYHUDNBSSA-N -1 1 382.432 1.041 20 0 GDADMM Cc1n[nH]cc1C(=O)N1CCC[C@@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571206051 953045991 /nfs/dbraw/zinc/04/59/91/953045991.db2.gz CUGZIYBURFTUFO-ZYHUDNBSSA-N -1 1 382.432 1.041 20 0 GDADMM CCn1ccnc1C(=O)N[C@H]1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571206079 953046811 /nfs/dbraw/zinc/04/68/11/953046811.db2.gz CYILMTGAUKDBBB-NEPJUHHUSA-N -1 1 382.432 1.026 20 0 GDADMM CCn1ccnc1C(=O)N[C@H]1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571206079 953046816 /nfs/dbraw/zinc/04/68/16/953046816.db2.gz CYILMTGAUKDBBB-NEPJUHHUSA-N -1 1 382.432 1.026 20 0 GDADMM CC[C@@H](C)n1nccc1C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571206795 953055811 /nfs/dbraw/zinc/05/58/11/953055811.db2.gz XJTLVPGIGJFUKU-IJLUTSLNSA-N -1 1 382.432 1.197 20 0 GDADMM CC[C@@H](C)n1nccc1C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571206795 953055814 /nfs/dbraw/zinc/05/58/14/953055814.db2.gz XJTLVPGIGJFUKU-IJLUTSLNSA-N -1 1 382.432 1.197 20 0 GDADMM Cc1nc[nH]c1C(=O)N[C@H]1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571207181 953060049 /nfs/dbraw/zinc/06/00/49/953060049.db2.gz OLEOHZHXVZJZBZ-NEPJUHHUSA-N -1 1 382.432 1.089 20 0 GDADMM Cc1nc[nH]c1C(=O)N[C@H]1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571207181 953060052 /nfs/dbraw/zinc/06/00/52/953060052.db2.gz OLEOHZHXVZJZBZ-NEPJUHHUSA-N -1 1 382.432 1.089 20 0 GDADMM Cc1oc(C(C)C)cc1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571207209 953061008 /nfs/dbraw/zinc/06/10/08/953061008.db2.gz XEEUERJQSTUIDU-LBPRGKRZSA-N -1 1 382.428 1.690 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2CC[C@H](C)C2)n1 ZINC001571211763 953080768 /nfs/dbraw/zinc/08/07/68/953080768.db2.gz FOPSXQVLHAUFLL-MXJLERKLSA-N -1 1 382.472 1.342 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2CC[C@H](C)C2)n1 ZINC001571211763 953080769 /nfs/dbraw/zinc/08/07/69/953080769.db2.gz FOPSXQVLHAUFLL-MXJLERKLSA-N -1 1 382.472 1.342 20 0 GDADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@@H]1CCN(C(=O)C23CCC(CC2)CC3)C1 ZINC001571211999 953082291 /nfs/dbraw/zinc/08/22/91/953082291.db2.gz GZUZKCVMUZQYKO-SHYRYGCCSA-N -1 1 382.472 1.664 20 0 GDADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)C23CCC(CC2)CC3)C1 ZINC001571211999 953082294 /nfs/dbraw/zinc/08/22/94/953082294.db2.gz GZUZKCVMUZQYKO-SHYRYGCCSA-N -1 1 382.472 1.664 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](NC(=O)C34CCC(CC3)C4)C2)n1 ZINC001571212084 953084103 /nfs/dbraw/zinc/08/41/03/953084103.db2.gz IPKGPBAGXWGCFR-BIWSTMPVSA-N -1 1 382.472 1.630 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](NC(=O)C34CCC(CC3)C4)C2)n1 ZINC001571212084 953084109 /nfs/dbraw/zinc/08/41/09/953084109.db2.gz IPKGPBAGXWGCFR-BIWSTMPVSA-N -1 1 382.472 1.630 20 0 GDADMM C[C@]1(CNc2ccc(-c3nnn[n-]3)nn2)CCN(C(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001571212935 953091819 /nfs/dbraw/zinc/09/18/19/953091819.db2.gz OIFAZHOLLDZQIJ-CKFHNAJUSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@]1(CNc2ccc(-c3nn[n-]n3)nn2)CCN(C(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001571212935 953091824 /nfs/dbraw/zinc/09/18/24/953091824.db2.gz OIFAZHOLLDZQIJ-CKFHNAJUSA-N -1 1 382.472 1.743 20 0 GDADMM CC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC001571213003 953092762 /nfs/dbraw/zinc/09/27/62/953092762.db2.gz PNQZSBGCRFRQME-MCIONIFRSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC001571213003 953092765 /nfs/dbraw/zinc/09/27/65/953092765.db2.gz PNQZSBGCRFRQME-MCIONIFRSA-N -1 1 382.472 1.886 20 0 GDADMM CN(CC1CCN(C(=O)[C@]23C[C@H]2CCC3)CC1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571213675 953096326 /nfs/dbraw/zinc/09/63/26/953096326.db2.gz TVXGNVVCZQJBKN-AUUYWEPGSA-N -1 1 382.472 1.522 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)C2CC3(CCC3)C2)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571213694 953097379 /nfs/dbraw/zinc/09/73/79/953097379.db2.gz UOWLNEPUFOIIOF-DZGCQCFKSA-N -1 1 382.472 1.711 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)C2CC3(CCC3)C2)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571213694 953097385 /nfs/dbraw/zinc/09/73/85/953097385.db2.gz UOWLNEPUFOIIOF-DZGCQCFKSA-N -1 1 382.472 1.711 20 0 GDADMM CC[C@H]1CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)CC[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571214388 953101756 /nfs/dbraw/zinc/10/17/56/953101756.db2.gz YFEQFYORQNSHRW-AHDPXTMNSA-N -1 1 382.472 1.742 20 0 GDADMM CC[C@H]1CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)CC[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571214388 953101758 /nfs/dbraw/zinc/10/17/58/953101758.db2.gz YFEQFYORQNSHRW-AHDPXTMNSA-N -1 1 382.472 1.742 20 0 GDADMM CCc1nc(N[C@H]2CC[C@H](NC(=O)[C@H]3CC34CC4)CC2)cc(-c2nnn[n-]2)n1 ZINC001571214481 953102495 /nfs/dbraw/zinc/10/24/95/953102495.db2.gz ZRTRIWSSDGMVNF-JHJVBQTASA-N -1 1 382.472 1.859 20 0 GDADMM CCc1nc(N[C@H]2CC[C@H](NC(=O)[C@H]3CC34CC4)CC2)cc(-c2nn[n-]n2)n1 ZINC001571214481 953102499 /nfs/dbraw/zinc/10/24/99/953102499.db2.gz ZRTRIWSSDGMVNF-JHJVBQTASA-N -1 1 382.472 1.859 20 0 GDADMM O=C(N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)C1CCC2(CC2)CC1 ZINC001571216916 953104740 /nfs/dbraw/zinc/10/47/40/953104740.db2.gz CFFRYSMRJOFMOQ-AWEZNQCLSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)C1CCC2(CC2)CC1 ZINC001571216916 953104743 /nfs/dbraw/zinc/10/47/43/953104743.db2.gz CFFRYSMRJOFMOQ-AWEZNQCLSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(NCC1CC(Nc2nccnc2-c2nnn[n-]2)C1)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001571217314 953107272 /nfs/dbraw/zinc/10/72/72/953107272.db2.gz FKVUCBJTECEMSW-NNVWEFMASA-N -1 1 382.472 1.790 20 0 GDADMM O=C(NCC1CC(Nc2nccnc2-c2nn[n-]n2)C1)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001571217314 953107274 /nfs/dbraw/zinc/10/72/74/953107274.db2.gz FKVUCBJTECEMSW-NNVWEFMASA-N -1 1 382.472 1.790 20 0 GDADMM C[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ncccc1F ZINC001571217390 953107909 /nfs/dbraw/zinc/10/79/09/953107909.db2.gz KOYOTCYHOZLEIN-GHMZBOCLSA-N -1 1 383.391 1.296 20 0 GDADMM C[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ncccc1F ZINC001571217390 953107912 /nfs/dbraw/zinc/10/79/12/953107912.db2.gz KOYOTCYHOZLEIN-GHMZBOCLSA-N -1 1 383.391 1.296 20 0 GDADMM O=C(C[C@@H]1C[C@H]1C1CC1)N1CCC(CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571217700 953111012 /nfs/dbraw/zinc/11/10/12/953111012.db2.gz IREPTRPJSITHOY-GJZGRUSLSA-N -1 1 382.472 1.743 20 0 GDADMM O=C(C[C@@H]1C[C@H]1C1CC1)N1CCC(CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571217700 953111013 /nfs/dbraw/zinc/11/10/13/953111013.db2.gz IREPTRPJSITHOY-GJZGRUSLSA-N -1 1 382.472 1.743 20 0 GDADMM O=C(NC[C@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1)[C@@H]1C[C@H]1C1CCC1 ZINC001571218087 953113279 /nfs/dbraw/zinc/11/32/79/953113279.db2.gz LNNSCQBOZOZAMT-QLFBSQMISA-N -1 1 382.472 1.568 20 0 GDADMM O=C(NC[C@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1)[C@@H]1C[C@H]1C1CCC1 ZINC001571218087 953113282 /nfs/dbraw/zinc/11/32/82/953113282.db2.gz LNNSCQBOZOZAMT-QLFBSQMISA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H]1CN(C(=O)c2cncc(F)c2)CC[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571218268 953114139 /nfs/dbraw/zinc/11/41/39/953114139.db2.gz UVROEGWCQHVDLX-MFKMUULPSA-N -1 1 383.391 1.154 20 0 GDADMM C[C@@H]1CN(C(=O)c2cncc(F)c2)CC[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571218268 953114142 /nfs/dbraw/zinc/11/41/42/953114142.db2.gz UVROEGWCQHVDLX-MFKMUULPSA-N -1 1 383.391 1.154 20 0 GDADMM O=C(N[C@H]1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)C1CC2(CCC2)C1 ZINC001571218460 953115200 /nfs/dbraw/zinc/11/52/00/953115200.db2.gz OQQYPKWHQPSXHK-JSGCOSHPSA-N -1 1 382.472 1.356 20 0 GDADMM O=C(N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)C1(C2CCC2)CCC1 ZINC001571219120 953123737 /nfs/dbraw/zinc/12/37/37/953123737.db2.gz VVJYAOFYFRPFNF-CQSZACIVSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)C1(C2CCC2)CCC1 ZINC001571219120 953123739 /nfs/dbraw/zinc/12/37/39/953123739.db2.gz VVJYAOFYFRPFNF-CQSZACIVSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(N[C@H]1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)C1CC2(CCC2)C1 ZINC001571219358 953124877 /nfs/dbraw/zinc/12/48/77/953124877.db2.gz XUGQMTBFUZIKGR-OCCSQVGLSA-N -1 1 382.472 1.934 20 0 GDADMM O=C(N[C@H]1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)C1CC2(CCC2)C1 ZINC001571219358 953124879 /nfs/dbraw/zinc/12/48/79/953124879.db2.gz XUGQMTBFUZIKGR-OCCSQVGLSA-N -1 1 382.472 1.934 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571222044 953130993 /nfs/dbraw/zinc/13/09/93/953130993.db2.gz AMLCPFNDQGZCET-LLVKDONJSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571222044 953130996 /nfs/dbraw/zinc/13/09/96/953130996.db2.gz AMLCPFNDQGZCET-LLVKDONJSA-N -1 1 383.416 1.167 20 0 GDADMM CCc1ocnc1C(=O)NC[C@H]1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571222750 953138414 /nfs/dbraw/zinc/13/84/14/953138414.db2.gz KYJIGIUIVCFDPV-WDEREUQCSA-N -1 1 383.416 1.218 20 0 GDADMM CCc1ocnc1C(=O)NC[C@H]1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571222750 953138416 /nfs/dbraw/zinc/13/84/16/953138416.db2.gz KYJIGIUIVCFDPV-WDEREUQCSA-N -1 1 383.416 1.218 20 0 GDADMM CCc1ncoc1C(=O)N1C[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)[C@H](C)C1 ZINC001571223092 953141507 /nfs/dbraw/zinc/14/15/07/953141507.db2.gz QEFCGCUQEMLHTK-GHMZBOCLSA-N -1 1 383.416 1.027 20 0 GDADMM CCc1ncoc1C(=O)N1C[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)[C@H](C)C1 ZINC001571223092 953141511 /nfs/dbraw/zinc/14/15/11/953141511.db2.gz QEFCGCUQEMLHTK-GHMZBOCLSA-N -1 1 383.416 1.027 20 0 GDADMM CCc1nc(N[C@H]2CN(C(=O)c3nocc3C)C[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571223303 953143231 /nfs/dbraw/zinc/14/32/31/953143231.db2.gz SPKGMHNSFOVAOB-SKDRFNHKSA-N -1 1 383.416 1.088 20 0 GDADMM CCc1nc(N[C@H]2CN(C(=O)c3nocc3C)C[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571223303 953143234 /nfs/dbraw/zinc/14/32/34/953143234.db2.gz SPKGMHNSFOVAOB-SKDRFNHKSA-N -1 1 383.416 1.088 20 0 GDADMM CC(C)c1oncc1C(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571223485 953143966 /nfs/dbraw/zinc/14/39/66/953143966.db2.gz RKLQQAQDOIWXJI-LLVKDONJSA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571224030 953148457 /nfs/dbraw/zinc/14/84/57/953148457.db2.gz XENGGZDXHQKVHZ-UHFFFAOYSA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571224030 953148460 /nfs/dbraw/zinc/14/84/60/953148460.db2.gz XENGGZDXHQKVHZ-UHFFFAOYSA-N -1 1 383.416 1.485 20 0 GDADMM Cc1nc(C(=O)N2C[C@@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C(C)(C)C2)co1 ZINC001571225601 953153871 /nfs/dbraw/zinc/15/38/71/953153871.db2.gz LBBYRWUBOWFRKJ-CYBMUJFWSA-N -1 1 383.416 1.224 20 0 GDADMM Cc1nc(C(=O)N2C[C@@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C(C)(C)C2)co1 ZINC001571225601 953153872 /nfs/dbraw/zinc/15/38/72/953153872.db2.gz LBBYRWUBOWFRKJ-CYBMUJFWSA-N -1 1 383.416 1.224 20 0 GDADMM O=C(CCc1ccon1)N1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571227856 953160906 /nfs/dbraw/zinc/16/09/06/953160906.db2.gz DIQOTOJFBXHFKA-ZDUSSCGKSA-N -1 1 383.416 1.071 20 0 GDADMM O=C(CCc1ccon1)N1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571227856 953160909 /nfs/dbraw/zinc/16/09/09/953160909.db2.gz DIQOTOJFBXHFKA-ZDUSSCGKSA-N -1 1 383.416 1.071 20 0 GDADMM Cc1nsc(N2CCC(C)(NC(=O)[C@@H]3CC3(F)F)CC2)c1-c1nn[n-]n1 ZINC001571230646 953178677 /nfs/dbraw/zinc/17/86/77/953178677.db2.gz ZHHQCBNOYKXJKC-VIFPVBQESA-N -1 1 383.428 1.762 20 0 GDADMM O=C(N[C@@]12CCC[C@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2)c1cncs1 ZINC001571231145 953183586 /nfs/dbraw/zinc/18/35/86/953183586.db2.gz UBCIMCDVFMMYFP-MLGOLLRUSA-N -1 1 383.441 1.045 20 0 GDADMM O=C(N[C@@]12CCC[C@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2)c1cncs1 ZINC001571231145 953183589 /nfs/dbraw/zinc/18/35/89/953183589.db2.gz UBCIMCDVFMMYFP-MLGOLLRUSA-N -1 1 383.441 1.045 20 0 GDADMM CCO[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571234867 953206495 /nfs/dbraw/zinc/20/64/95/953206495.db2.gz LARMFIYPKDWVGI-XSPKLOCKSA-N -1 1 383.865 1.461 20 0 GDADMM CCO[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571234867 953206498 /nfs/dbraw/zinc/20/64/98/953206498.db2.gz LARMFIYPKDWVGI-XSPKLOCKSA-N -1 1 383.865 1.461 20 0 GDADMM COc1ccc(C(=O)N[C@@H]2CC[C@H](CNc3nccnc3-c3nnn[n-]3)C2)o1 ZINC001571237937 953224264 /nfs/dbraw/zinc/22/42/64/953224264.db2.gz ONKFGVFHLFHGBX-WDEREUQCSA-N -1 1 384.400 1.269 20 0 GDADMM COc1ccc(C(=O)N[C@@H]2CC[C@H](CNc3nccnc3-c3nn[n-]n3)C2)o1 ZINC001571237937 953224267 /nfs/dbraw/zinc/22/42/67/953224267.db2.gz ONKFGVFHLFHGBX-WDEREUQCSA-N -1 1 384.400 1.269 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H](CCNc3cncc(-c4nnn[n-]4)n3)C2)s1 ZINC001571244914 953268549 /nfs/dbraw/zinc/26/85/49/953268549.db2.gz LZNXKKGFKODNDJ-LBPRGKRZSA-N -1 1 384.469 1.991 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H](CCNc3cncc(-c4nn[n-]n4)n3)C2)s1 ZINC001571244914 953268555 /nfs/dbraw/zinc/26/85/55/953268555.db2.gz LZNXKKGFKODNDJ-LBPRGKRZSA-N -1 1 384.469 1.991 20 0 GDADMM Cc1ccc(CC(=O)N(C)[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)s1 ZINC001571245547 953274566 /nfs/dbraw/zinc/27/45/66/953274566.db2.gz UZQWZVPRPIVSGY-LBPRGKRZSA-N -1 1 384.469 1.306 20 0 GDADMM Cc1ccc(CC(=O)N(C)[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)s1 ZINC001571245547 953274569 /nfs/dbraw/zinc/27/45/69/953274569.db2.gz UZQWZVPRPIVSGY-LBPRGKRZSA-N -1 1 384.469 1.306 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccsc1 ZINC001571245655 953275569 /nfs/dbraw/zinc/27/55/69/953275569.db2.gz KGJRWESUVPQTKR-AAEUAGOBSA-N -1 1 384.469 1.607 20 0 GDADMM Cc1nsc(N2CC[C@H](NC(=O)c3ccccn3)C[C@@H]2C)c1-c1nn[n-]n1 ZINC001571247590 953283732 /nfs/dbraw/zinc/28/37/32/953283732.db2.gz AQIUOTDXJGANRU-JQWIXIFHSA-N -1 1 384.469 1.814 20 0 GDADMM Cc1nsc(N2CCC(N(C)C(=O)c3ccncc3)CC2)c1-c1nn[n-]n1 ZINC001571248204 953290995 /nfs/dbraw/zinc/29/09/95/953290995.db2.gz NJTGKPDPNYHHOI-UHFFFAOYSA-N -1 1 384.469 1.768 20 0 GDADMM Cc1sccc1C(=O)N(C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571248621 953295456 /nfs/dbraw/zinc/29/54/56/953295456.db2.gz WOOCANNUFLWFKF-UHFFFAOYSA-N -1 1 384.469 1.768 20 0 GDADMM Cc1sccc1C(=O)N(C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571248621 953295457 /nfs/dbraw/zinc/29/54/57/953295457.db2.gz WOOCANNUFLWFKF-UHFFFAOYSA-N -1 1 384.469 1.768 20 0 GDADMM CCCC(=O)N1CCC([C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001571248995 953299678 /nfs/dbraw/zinc/29/96/78/953299678.db2.gz AKMDAPZLYRIGTE-OAHLLOKOSA-N -1 1 384.488 1.912 20 0 GDADMM CCCC(=O)N1CCC([C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001571248995 953299680 /nfs/dbraw/zinc/29/96/80/953299680.db2.gz AKMDAPZLYRIGTE-OAHLLOKOSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@H]1CCC[C@@]1(C)C(=O)N1CCC(N(C)c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571249107 953300038 /nfs/dbraw/zinc/30/00/38/953300038.db2.gz DGTMMSCCNCTLDF-ORAYPTAESA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CCC[C@@]1(C)C(=O)N1CCC(N(C)c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571249107 953300042 /nfs/dbraw/zinc/30/00/42/953300042.db2.gz DGTMMSCCNCTLDF-ORAYPTAESA-N -1 1 384.488 1.910 20 0 GDADMM CC1(C)CCCC[C@@H]1CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 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Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccccc1Cn1cncn1 ZINC000737225196 598949022 /nfs/dbraw/zinc/94/90/22/598949022.db2.gz KENXQZWHEKBNES-UHFFFAOYSA-N -1 1 396.436 1.616 20 0 GDADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1cccc(C[S@](C)=O)c1 ZINC000737225365 598950517 /nfs/dbraw/zinc/95/05/17/598950517.db2.gz MSUMBMCJIVLZSH-VWLOTQADSA-N -1 1 391.478 1.854 20 0 GDADMM Cc1c(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c(=O)n(-c2ccccc2)n1C ZINC000737218913 598977682 /nfs/dbraw/zinc/97/76/82/598977682.db2.gz MXHFRQYIFUADLI-UHFFFAOYSA-N -1 1 376.380 1.312 20 0 GDADMM Cc1c(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c(=O)n(-c2ccccc2)n1C ZINC000737218913 598977683 /nfs/dbraw/zinc/97/76/83/598977683.db2.gz MXHFRQYIFUADLI-UHFFFAOYSA-N -1 1 376.380 1.312 20 0 GDADMM O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738184329 598979942 /nfs/dbraw/zinc/97/99/42/598979942.db2.gz OWHUHRIFYOMFTK-UHFFFAOYSA-N -1 1 399.436 1.299 20 0 GDADMM O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738184329 598979943 /nfs/dbraw/zinc/97/99/43/598979943.db2.gz OWHUHRIFYOMFTK-UHFFFAOYSA-N -1 1 399.436 1.299 20 0 GDADMM Cn1ccnc1COc1ccc(COC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737616660 598994656 /nfs/dbraw/zinc/99/46/56/598994656.db2.gz VDUUNXCLFLXCPR-UHFFFAOYSA-N -1 1 391.391 1.931 20 0 GDADMM Cn1ccnc1COc1ccc(COC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737616660 598994657 /nfs/dbraw/zinc/99/46/57/598994657.db2.gz VDUUNXCLFLXCPR-UHFFFAOYSA-N -1 1 391.391 1.931 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N(CCN1CCOCC1)c1ccccc1 ZINC000738259705 599000704 /nfs/dbraw/zinc/00/07/04/599000704.db2.gz UVAHKDHSNJOMJH-UHFFFAOYSA-N -1 1 379.424 1.241 20 0 GDADMM CC(C)(CNC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc2c(c1)OCCO2 ZINC000735670454 598998371 /nfs/dbraw/zinc/99/83/71/598998371.db2.gz QAEBWKKKNRJSGC-UHFFFAOYSA-N -1 1 380.408 1.741 20 0 GDADMM CC(C)(CNC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc2c(c1)OCCO2 ZINC000735670454 598998372 /nfs/dbraw/zinc/99/83/72/598998372.db2.gz QAEBWKKKNRJSGC-UHFFFAOYSA-N -1 1 380.408 1.741 20 0 GDADMM CCOC(=O)C1(NC(=O)c2ccc(-c3nnn[n-]3)nc2)Cc2ccccc2C1 ZINC000736590734 599000558 /nfs/dbraw/zinc/00/05/58/599000558.db2.gz KIFJBLCJTLVDEH-UHFFFAOYSA-N -1 1 378.392 1.092 20 0 GDADMM CCOC(=O)C1(NC(=O)c2ccc(-c3nn[n-]n3)nc2)Cc2ccccc2C1 ZINC000736590734 599000559 /nfs/dbraw/zinc/00/05/59/599000559.db2.gz KIFJBLCJTLVDEH-UHFFFAOYSA-N -1 1 378.392 1.092 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N(CCN1CCOCC1)c1ccccc1 ZINC000738259705 599000702 /nfs/dbraw/zinc/00/07/02/599000702.db2.gz UVAHKDHSNJOMJH-UHFFFAOYSA-N -1 1 379.424 1.241 20 0 GDADMM CC(C)[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1nc(-c2cccnc2)no1 ZINC000735722828 599001307 /nfs/dbraw/zinc/00/13/07/599001307.db2.gz XZAOALRLBGJSSZ-AWEZNQCLSA-N -1 1 391.395 1.834 20 0 GDADMM CC(C)[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1nc(-c2cccnc2)no1 ZINC000735722828 599001308 /nfs/dbraw/zinc/00/13/08/599001308.db2.gz XZAOALRLBGJSSZ-AWEZNQCLSA-N -1 1 391.395 1.834 20 0 GDADMM Cn1cc(C(=O)Nc2ccc(OC(=O)c3ccc(-c4nnn[n-]4)nc3)cc2)cn1 ZINC000737607385 599005169 /nfs/dbraw/zinc/00/51/69/599005169.db2.gz YRSJVYPJFMCJDL-UHFFFAOYSA-N -1 1 390.363 1.467 20 0 GDADMM Cn1cc(C(=O)Nc2ccc(OC(=O)c3ccc(-c4nn[n-]n4)nc3)cc2)cn1 ZINC000737607385 599005171 /nfs/dbraw/zinc/00/51/71/599005171.db2.gz YRSJVYPJFMCJDL-UHFFFAOYSA-N -1 1 390.363 1.467 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCN(C/C=C\c2ccccc2)CC1 ZINC000738258121 599019146 /nfs/dbraw/zinc/01/91/46/599019146.db2.gz DWSNZCMTGFQXRJ-DAXSKMNVSA-N -1 1 375.436 1.733 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCN(C/C=C\c2ccccc2)CC1 ZINC000738258121 599019148 /nfs/dbraw/zinc/01/91/48/599019148.db2.gz DWSNZCMTGFQXRJ-DAXSKMNVSA-N -1 1 375.436 1.733 20 0 GDADMM O=C(OCCCn1c(=O)[nH]c2ccccc2c1=O)c1sccc1-c1nn[n-]n1 ZINC000738220350 599027535 /nfs/dbraw/zinc/02/75/35/599027535.db2.gz GBEUOBHRSGUOPO-UHFFFAOYSA-N -1 1 398.404 1.591 20 0 GDADMM COC(=O)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)Cc1cccc(F)c1 ZINC000736894790 599029652 /nfs/dbraw/zinc/02/96/52/599029652.db2.gz WCPJLWJWPQXWIP-CYBMUJFWSA-N -1 1 384.371 1.163 20 0 GDADMM COC(=O)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)Cc1cccc(F)c1 ZINC000736894790 599029654 /nfs/dbraw/zinc/02/96/54/599029654.db2.gz WCPJLWJWPQXWIP-CYBMUJFWSA-N -1 1 384.371 1.163 20 0 GDADMM C[C@@H](c1nc(C2CC2)no1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736204836 599030840 /nfs/dbraw/zinc/03/08/40/599030840.db2.gz VUHQVKLMTZIRSB-NSHDSACASA-N -1 1 395.427 1.041 20 0 GDADMM C[C@@H](c1nc(C2CC2)no1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736204836 599030842 /nfs/dbraw/zinc/03/08/42/599030842.db2.gz VUHQVKLMTZIRSB-NSHDSACASA-N -1 1 395.427 1.041 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000736158472 599134094 /nfs/dbraw/zinc/13/40/94/599134094.db2.gz QMCHYAKVPWNOIP-SNVBAGLBSA-N -1 1 396.363 1.217 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000736158472 599134095 /nfs/dbraw/zinc/13/40/95/599134095.db2.gz QMCHYAKVPWNOIP-SNVBAGLBSA-N -1 1 396.363 1.217 20 0 GDADMM Cc1ccccc1CCNC(=O)[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737425647 599136920 /nfs/dbraw/zinc/13/69/20/599136920.db2.gz CPIJLIPGVUGTRL-CYBMUJFWSA-N -1 1 380.408 1.474 20 0 GDADMM Cc1ccccc1CCNC(=O)[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737425647 599136921 /nfs/dbraw/zinc/13/69/21/599136921.db2.gz CPIJLIPGVUGTRL-CYBMUJFWSA-N -1 1 380.408 1.474 20 0 GDADMM CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000735500047 599137863 /nfs/dbraw/zinc/13/78/63/599137863.db2.gz WPBXQTIQBVQKIT-LLVKDONJSA-N -1 1 380.364 1.648 20 0 GDADMM CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000735500047 599137865 /nfs/dbraw/zinc/13/78/65/599137865.db2.gz WPBXQTIQBVQKIT-LLVKDONJSA-N -1 1 380.364 1.648 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1C[C@@H](C)S[C@H](C)C1 ZINC000822005052 599186970 /nfs/dbraw/zinc/18/69/70/599186970.db2.gz NMIASELDIPGCJO-NXEZZACHSA-N -1 1 376.486 1.869 20 0 GDADMM Cc1nn(C)c(C)c1CNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000822491858 599209826 /nfs/dbraw/zinc/20/98/26/599209826.db2.gz HMVAKNFSIWILDT-UHFFFAOYSA-N -1 1 384.444 1.183 20 0 GDADMM CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735636267 599222141 /nfs/dbraw/zinc/22/21/41/599222141.db2.gz ROBSLONKYAHYFX-WCQYABFASA-N -1 1 387.444 1.685 20 0 GDADMM CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735636267 599222142 /nfs/dbraw/zinc/22/21/42/599222142.db2.gz ROBSLONKYAHYFX-WCQYABFASA-N -1 1 387.444 1.685 20 0 GDADMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)/C=C\c1ccccc1Br ZINC000739606645 596926673 /nfs/dbraw/zinc/92/66/73/596926673.db2.gz ZJWRPMYBLAVXPF-YFHOEESVSA-N -1 1 391.287 1.698 20 0 GDADMM Cc1cc(NC(=O)CN2CCC[C@@H](CC(=O)[O-])C2)n(-c2nc(C)cc(C)n2)n1 ZINC000533202669 597080675 /nfs/dbraw/zinc/08/06/75/597080675.db2.gz QPVWPDACWKNOLM-HNNXBMFYSA-N -1 1 386.456 1.713 20 0 GDADMM Cc1cc(Br)c(S(=O)(=O)N(CCN(C)C)CC(=O)[O-])s1 ZINC000818783742 597130964 /nfs/dbraw/zinc/13/09/64/597130964.db2.gz AWWDKYCWMCMZRJ-UHFFFAOYSA-N -1 1 385.305 1.456 20 0 GDADMM CN1CC[C@@H](NC(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)[C@H]1c1ccccc1 ZINC000820620391 597421039 /nfs/dbraw/zinc/42/10/39/597421039.db2.gz LVOSERQCIJKFBA-IEBWSBKVSA-N -1 1 381.432 1.814 20 0 GDADMM CC(C)(C)OC(=O)C1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCCC1 ZINC000735623731 599273101 /nfs/dbraw/zinc/27/31/01/599273101.db2.gz PJOMSLFJZJYUJX-UHFFFAOYSA-N -1 1 394.457 1.195 20 0 GDADMM CC(C)(C)OC(=O)C1(NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCCC1 ZINC000735623731 599273104 /nfs/dbraw/zinc/27/31/04/599273104.db2.gz PJOMSLFJZJYUJX-UHFFFAOYSA-N -1 1 394.457 1.195 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCc1cccc2nccn21 ZINC000822010110 607321739 /nfs/dbraw/zinc/32/17/39/607321739.db2.gz NXDAJFUZXHJOBT-UHFFFAOYSA-N -1 1 393.407 1.908 20 0 GDADMM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1ccc(-c2nn[nH]n2)cc1F ZINC000821666722 607328045 /nfs/dbraw/zinc/32/80/45/607328045.db2.gz BDXFVJMKPOCWKN-UHFFFAOYSA-N -1 1 395.347 1.732 20 0 GDADMM CN(CCOc1cccc(Cl)c1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736801998 598262013 /nfs/dbraw/zinc/26/20/13/598262013.db2.gz NXGCIWBWVUERTP-UHFFFAOYSA-N -1 1 394.844 1.615 20 0 GDADMM CN(CCOc1cccc(Cl)c1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736801998 598262015 /nfs/dbraw/zinc/26/20/15/598262015.db2.gz NXGCIWBWVUERTP-UHFFFAOYSA-N -1 1 394.844 1.615 20 0 GDADMM O=S(=O)(N[C@@H](c1ccco1)c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738328569 598262328 /nfs/dbraw/zinc/26/23/28/598262328.db2.gz IBKYUOWNPZZHMS-MRXNPFEDSA-N -1 1 382.405 1.923 20 0 GDADMM O=S(=O)(N[C@@H](c1ccco1)c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738328569 598262329 /nfs/dbraw/zinc/26/23/29/598262329.db2.gz IBKYUOWNPZZHMS-MRXNPFEDSA-N -1 1 382.405 1.923 20 0 GDADMM COc1cccc([C@@H]2CCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737131189 598262621 /nfs/dbraw/zinc/26/26/21/598262621.db2.gz VVEHECHVYXXYLE-INIZCTEOSA-N -1 1 386.437 1.796 20 0 GDADMM COc1cccc([C@@H]2CCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737131189 598262622 /nfs/dbraw/zinc/26/26/22/598262622.db2.gz VVEHECHVYXXYLE-INIZCTEOSA-N -1 1 386.437 1.796 20 0 GDADMM O=S(=O)(NCc1cn2cc(Cl)ccc2n1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344716 598265263 /nfs/dbraw/zinc/26/52/63/598265263.db2.gz GMEDOBRXXOTMTO-UHFFFAOYSA-N -1 1 390.816 1.041 20 0 GDADMM O=S(=O)(NCc1cn2cc(Cl)ccc2n1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738344716 598265264 /nfs/dbraw/zinc/26/52/64/598265264.db2.gz GMEDOBRXXOTMTO-UHFFFAOYSA-N -1 1 390.816 1.041 20 0 GDADMM C[C@H](COc1cccc(F)c1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736037138 598266949 /nfs/dbraw/zinc/26/69/49/598266949.db2.gz DYGOVVWJVWVXKG-SNVBAGLBSA-N -1 1 378.389 1.147 20 0 GDADMM C[C@H](COc1cccc(F)c1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736037138 598266951 /nfs/dbraw/zinc/26/69/51/598266951.db2.gz DYGOVVWJVWVXKG-SNVBAGLBSA-N -1 1 378.389 1.147 20 0 GDADMM COC(=O)N(C)CCCC(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000736932985 598289170 /nfs/dbraw/zinc/28/91/70/598289170.db2.gz ZKCPQQQTQDGLBS-UHFFFAOYSA-N -1 1 394.388 1.037 20 0 GDADMM CCn1cc(NC(=S)NNc2oc(C(C)(C)C)nc2-c2nn[n-]n2)cn1 ZINC000736723931 598295904 /nfs/dbraw/zinc/29/59/04/598295904.db2.gz XTWQEMOUHFEBKW-UHFFFAOYSA-N -1 1 376.450 1.682 20 0 GDADMM Cc1ocnc1C(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000737556470 598330289 /nfs/dbraw/zinc/33/02/89/598330289.db2.gz JEUBOGREVOMVKF-UHFFFAOYSA-N -1 1 396.367 1.374 20 0 GDADMM CC(C)(C)c1ncc(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)cn1 ZINC000735655929 598371897 /nfs/dbraw/zinc/37/18/97/598371897.db2.gz SKPRDACXZMFKRJ-UHFFFAOYSA-N -1 1 385.436 1.014 20 0 GDADMM CC(C)(C)c1ncc(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)cn1 ZINC000735655929 598371898 /nfs/dbraw/zinc/37/18/98/598371898.db2.gz SKPRDACXZMFKRJ-UHFFFAOYSA-N -1 1 385.436 1.014 20 0 GDADMM CCc1nn(C[C@H](O)c2ccc(F)c(F)c2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705405 598374243 /nfs/dbraw/zinc/37/42/43/598374243.db2.gz HTJBIYHBQCORRI-AWEZNQCLSA-N -1 1 376.367 1.560 20 0 GDADMM CCc1nn(CC(=O)N(C)Cc2ccccc2F)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705551 598377704 /nfs/dbraw/zinc/37/77/04/598377704.db2.gz JZZFRXQQKIZVBN-UHFFFAOYSA-N -1 1 399.430 1.346 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCCN1CCCCC1=O ZINC000737198742 598416470 /nfs/dbraw/zinc/41/64/70/598416470.db2.gz CQCSTBFRVHVLHQ-UHFFFAOYSA-N -1 1 388.428 1.072 20 0 GDADMM Nc1n[nH]c(CCCNC(=S)Nc2ccc(Cl)nc2)c1-c1nnn[n-]1 ZINC000737769309 598417977 /nfs/dbraw/zinc/41/79/77/598417977.db2.gz JNGCQDCXRHTDIT-UHFFFAOYSA-N -1 1 378.853 1.140 20 0 GDADMM Nc1n[nH]c(CCCNC(=S)Nc2ccc(Cl)nc2)c1-c1nn[n-]n1 ZINC000737769309 598417978 /nfs/dbraw/zinc/41/79/78/598417978.db2.gz JNGCQDCXRHTDIT-UHFFFAOYSA-N -1 1 378.853 1.140 20 0 GDADMM C[C@@H]1CO[C@H](c2ccccc2)CN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736290441 598464074 /nfs/dbraw/zinc/46/40/74/598464074.db2.gz AIDRNVUUUOUMHE-WBMJQRKESA-N -1 1 386.437 1.412 20 0 GDADMM C[C@@H]1CO[C@H](c2ccccc2)CN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736290441 598464077 /nfs/dbraw/zinc/46/40/77/598464077.db2.gz AIDRNVUUUOUMHE-WBMJQRKESA-N -1 1 386.437 1.412 20 0 GDADMM Cc1csc2nc(Cn3cc(-c4nn[n-]n4)c(=O)c4ccccc43)cc(=O)n12 ZINC000737453661 598502745 /nfs/dbraw/zinc/50/27/45/598502745.db2.gz QVRWASZRMFNGCW-UHFFFAOYSA-N -1 1 391.416 1.608 20 0 GDADMM CS(=O)(=O)Nc1cccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000737168295 598573484 /nfs/dbraw/zinc/57/34/84/598573484.db2.gz IXHJKMYMJMPGLY-UHFFFAOYSA-N -1 1 379.833 1.899 20 0 GDADMM CS(=O)(=O)Nc1cccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000737168295 598573485 /nfs/dbraw/zinc/57/34/85/598573485.db2.gz IXHJKMYMJMPGLY-UHFFFAOYSA-N -1 1 379.833 1.899 20 0 GDADMM CS(=O)(=O)c1ccc(OCCNc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000737174106 598580078 /nfs/dbraw/zinc/58/00/78/598580078.db2.gz RHHQBZCWHFSCKQ-UHFFFAOYSA-N -1 1 394.844 1.810 20 0 GDADMM CS(=O)(=O)c1ccc(OCCNc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000737174106 598580080 /nfs/dbraw/zinc/58/00/80/598580080.db2.gz RHHQBZCWHFSCKQ-UHFFFAOYSA-N -1 1 394.844 1.810 20 0 GDADMM CCc1nn(Cc2noc(-c3ccccc3O)n2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706402 598642528 /nfs/dbraw/zinc/64/25/28/598642528.db2.gz KVXVLRFGVXFFHE-UHFFFAOYSA-N -1 1 394.395 1.352 20 0 GDADMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2)ccc1F ZINC000362958754 598662644 /nfs/dbraw/zinc/66/26/44/598662644.db2.gz UMEWBWOWTLPZHG-UHFFFAOYSA-N -1 1 391.384 1.983 20 0 GDADMM COc1ccc2c(c1)CCN2S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737119305 598663072 /nfs/dbraw/zinc/66/30/72/598663072.db2.gz NQOUJPNNMFNXQQ-UHFFFAOYSA-N -1 1 375.385 1.766 20 0 GDADMM O=C1CCCc2cc([N-]S(=O)(=O)c3cccc(-c4nn[nH]n4)c3)ccc2N1 ZINC000738304489 598663881 /nfs/dbraw/zinc/66/38/81/598663881.db2.gz LZOWQBRGHUFGGV-UHFFFAOYSA-N -1 1 384.421 1.942 20 0 GDADMM CN(C)C(=O)c1ccc(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000736754038 598690235 /nfs/dbraw/zinc/69/02/35/598690235.db2.gz SUKDAJKEPDAUAU-UHFFFAOYSA-N -1 1 391.384 1.475 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CCC[C@H]2c2cnn(C)c2)cc1-c1nn[n-]n1 ZINC000737186131 598700457 /nfs/dbraw/zinc/70/04/57/598700457.db2.gz HSPUARJQVXZMKG-LBPRGKRZSA-N -1 1 386.441 1.400 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1C[C@@H]2CCCN2c2ccccc21 ZINC000738353692 598710299 /nfs/dbraw/zinc/71/02/99/598710299.db2.gz FGHQURCLTCWASF-LBPRGKRZSA-N -1 1 383.437 1.439 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1C[C@@H]2CCCN2c2ccccc21 ZINC000738353692 598710301 /nfs/dbraw/zinc/71/03/01/598710301.db2.gz FGHQURCLTCWASF-LBPRGKRZSA-N -1 1 383.437 1.439 20 0 GDADMM C[C@@H](C1CC1)N(C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)C1CC1 ZINC000735963093 598718847 /nfs/dbraw/zinc/71/88/47/598718847.db2.gz AGIBFYSZRFDNKO-LBPRGKRZSA-N -1 1 378.436 1.971 20 0 GDADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Br)ccc21)NC1CC1 ZINC000737982880 598723164 /nfs/dbraw/zinc/72/31/64/598723164.db2.gz TWRPLFHPOLDGJK-UHFFFAOYSA-N -1 1 389.213 1.223 20 0 GDADMM CCc1nnc([C@H](C)OC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)o1 ZINC000736708505 598723177 /nfs/dbraw/zinc/72/31/77/598723177.db2.gz XVZDULHPKGNRKS-JTQLQIEISA-N -1 1 387.400 1.767 20 0 GDADMM COC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000736911917 599335209 /nfs/dbraw/zinc/33/52/09/599335209.db2.gz JOGKKUSKFSMMQN-UHFFFAOYSA-N -1 1 385.833 1.094 20 0 GDADMM COc1ccccc1CCN(C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000821891211 599342928 /nfs/dbraw/zinc/34/29/28/599342928.db2.gz XHCGHEDNCQWLNB-UHFFFAOYSA-N -1 1 391.428 1.878 20 0 GDADMM COc1ccccc1CCN(C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000821891211 599342931 /nfs/dbraw/zinc/34/29/31/599342931.db2.gz XHCGHEDNCQWLNB-UHFFFAOYSA-N -1 1 391.428 1.878 20 0 GDADMM O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)NC1(c2nn[n-]n2)CCCC1 ZINC000737833141 599387604 /nfs/dbraw/zinc/38/76/04/599387604.db2.gz PGXYNBVZHFKZLQ-UHFFFAOYSA-N -1 1 397.443 1.515 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCC[C@H](O)C(F)(F)F ZINC000737547787 599389237 /nfs/dbraw/zinc/38/92/37/599389237.db2.gz KZYLMPXBEYQJTJ-VIFPVBQESA-N -1 1 384.318 1.602 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCC[C@H](O)C(F)(F)F ZINC000737547787 599389240 /nfs/dbraw/zinc/38/92/40/599389240.db2.gz KZYLMPXBEYQJTJ-VIFPVBQESA-N -1 1 384.318 1.602 20 0 GDADMM Cc1cccc(NC(=O)CN2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)c1C ZINC000737398521 599397210 /nfs/dbraw/zinc/39/72/10/599397210.db2.gz HOLNOAGCXGTZIQ-UHFFFAOYSA-N -1 1 392.467 1.639 20 0 GDADMM Cc1cccc(NC(=O)CN2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)c1C ZINC000737398521 599397212 /nfs/dbraw/zinc/39/72/12/599397212.db2.gz HOLNOAGCXGTZIQ-UHFFFAOYSA-N -1 1 392.467 1.639 20 0 GDADMM Cc1cccc(C)c1NC(=O)CN1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000737391226 599397280 /nfs/dbraw/zinc/39/72/80/599397280.db2.gz WPWVIWYZBLMEQZ-UHFFFAOYSA-N -1 1 392.467 1.639 20 0 GDADMM Cc1cccc(C)c1NC(=O)CN1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000737391226 599397283 /nfs/dbraw/zinc/39/72/83/599397283.db2.gz WPWVIWYZBLMEQZ-UHFFFAOYSA-N -1 1 392.467 1.639 20 0 GDADMM O=c1[nH]c(CN2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)nc2ccccc21 ZINC000738373872 599400896 /nfs/dbraw/zinc/40/08/96/599400896.db2.gz JAPKSRGHQJNFJH-UHFFFAOYSA-N -1 1 389.423 1.233 20 0 GDADMM O=c1[nH]c(CN2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)nc2ccccc21 ZINC000738373872 599400898 /nfs/dbraw/zinc/40/08/98/599400898.db2.gz JAPKSRGHQJNFJH-UHFFFAOYSA-N -1 1 389.423 1.233 20 0 GDADMM CN(c1cccc(-c2nnn[n-]2)n1)[C@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000736843120 599429155 /nfs/dbraw/zinc/42/91/55/599429155.db2.gz ZSBXORINORTTGI-ZDUSSCGKSA-N -1 1 381.444 1.623 20 0 GDADMM CN(c1cccc(-c2nn[n-]n2)n1)[C@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000736843120 599429156 /nfs/dbraw/zinc/42/91/56/599429156.db2.gz ZSBXORINORTTGI-ZDUSSCGKSA-N -1 1 381.444 1.623 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@](C)(O)c1ccco1 ZINC000822005687 599450448 /nfs/dbraw/zinc/45/04/48/599450448.db2.gz UCNDIZQHNPHHIZ-SFHVURJKSA-N -1 1 386.412 1.134 20 0 GDADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2)ccc1F ZINC000365422084 599469468 /nfs/dbraw/zinc/46/94/68/599469468.db2.gz QUTMRPXBFVKEJR-UHFFFAOYSA-N -1 1 376.373 1.765 20 0 GDADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2)ccc1F ZINC000486829732 599469618 /nfs/dbraw/zinc/46/96/18/599469618.db2.gz ZKSVNUQMVGOFFY-UHFFFAOYSA-N -1 1 376.373 1.765 20 0 GDADMM Cc1ccccc1O[C@H](C)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000737433516 599472908 /nfs/dbraw/zinc/47/29/08/599472908.db2.gz AKMFURFLGOKSPP-CQSZACIVSA-N -1 1 394.439 1.081 20 0 GDADMM Cc1ccccc1O[C@H](C)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000737433516 599472910 /nfs/dbraw/zinc/47/29/10/599472910.db2.gz AKMFURFLGOKSPP-CQSZACIVSA-N -1 1 394.439 1.081 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000738352879 599481561 /nfs/dbraw/zinc/48/15/61/599481561.db2.gz BOKXRMREANVNAV-ZDUSSCGKSA-N -1 1 388.428 1.654 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000738352879 599481563 /nfs/dbraw/zinc/48/15/63/599481563.db2.gz BOKXRMREANVNAV-ZDUSSCGKSA-N -1 1 388.428 1.654 20 0 GDADMM CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(-c3nnn[n-]3)o2)NC(=O)N1 ZINC000820641522 599492095 /nfs/dbraw/zinc/49/20/95/599492095.db2.gz CYNVTJBVUMBDFV-OAHLLOKOSA-N -1 1 380.364 1.831 20 0 GDADMM CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(-c3nn[n-]n3)o2)NC(=O)N1 ZINC000820641522 599492096 /nfs/dbraw/zinc/49/20/96/599492096.db2.gz CYNVTJBVUMBDFV-OAHLLOKOSA-N -1 1 380.364 1.831 20 0 GDADMM CCCN1C(=S)N[C@@H](c2ccc(-c3nnn[n-]3)o2)C(C(=O)N(C)C)=C1C ZINC000821109173 599492199 /nfs/dbraw/zinc/49/21/99/599492199.db2.gz BAEZABPJGPXHFR-ZDUSSCGKSA-N -1 1 375.458 1.463 20 0 GDADMM CCCN1C(=S)N[C@@H](c2ccc(-c3nn[n-]n3)o2)C(C(=O)N(C)C)=C1C ZINC000821109173 599492200 /nfs/dbraw/zinc/49/22/00/599492200.db2.gz BAEZABPJGPXHFR-ZDUSSCGKSA-N -1 1 375.458 1.463 20 0 GDADMM COCC[C@@](C)(O)CNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000821685623 599498471 /nfs/dbraw/zinc/49/84/71/599498471.db2.gz LCRYYMRZVAEEHZ-QGZVFWFLSA-N -1 1 392.485 1.378 20 0 GDADMM Cc1nc(CN2CCCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)no1 ZINC000822439441 599537360 /nfs/dbraw/zinc/53/73/60/599537360.db2.gz BCKWKCGSEIURJJ-UHFFFAOYSA-N -1 1 375.824 1.319 20 0 GDADMM Cc1nc(CN2CCCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)no1 ZINC000822439441 599537363 /nfs/dbraw/zinc/53/73/63/599537363.db2.gz BCKWKCGSEIURJJ-UHFFFAOYSA-N -1 1 375.824 1.319 20 0 GDADMM CSC[C@@](C)(O)CNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000737179551 599579210 /nfs/dbraw/zinc/57/92/10/599579210.db2.gz LPSILEAKBAPKGY-INIZCTEOSA-N -1 1 394.526 1.705 20 0 GDADMM O=C1CN(c2snc(Cl)c2-c2nnn[n-]2)CCN1Cc1cccc(F)c1 ZINC000823535751 599588721 /nfs/dbraw/zinc/58/87/21/599588721.db2.gz GQBUBGMNNCZKJU-UHFFFAOYSA-N -1 1 393.835 1.965 20 0 GDADMM O=C1CN(c2snc(Cl)c2-c2nn[n-]n2)CCN1Cc1cccc(F)c1 ZINC000823535751 599588724 /nfs/dbraw/zinc/58/87/24/599588724.db2.gz GQBUBGMNNCZKJU-UHFFFAOYSA-N -1 1 393.835 1.965 20 0 GDADMM CC[C@@H]1COCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000736407151 599594025 /nfs/dbraw/zinc/59/40/25/599594025.db2.gz NRVKGMJAGIETPU-SNVBAGLBSA-N -1 1 391.375 1.685 20 0 GDADMM O=S(=O)(Oc1ccc(-n2cncn2)cc1)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738339883 599594363 /nfs/dbraw/zinc/59/43/63/599594363.db2.gz QLCJZCYZJQBDTB-UHFFFAOYSA-N -1 1 387.356 1.354 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)O[C@@H](C)C(F)(F)F ZINC000822458856 599628110 /nfs/dbraw/zinc/62/81/10/599628110.db2.gz IEOHBCNPURCMHA-VIFPVBQESA-N -1 1 383.334 1.953 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)O[C@@H](C)C(F)(F)F ZINC000822458856 599628111 /nfs/dbraw/zinc/62/81/11/599628111.db2.gz IEOHBCNPURCMHA-VIFPVBQESA-N -1 1 383.334 1.953 20 0 GDADMM Cc1oc(NC(=O)COC(=O)[C@](C)(O)Cc2ccccc2)c(-c2nn[n-]n2)c1C ZINC000822548389 599663293 /nfs/dbraw/zinc/66/32/93/599663293.db2.gz KGJKWNQARAYMML-LJQANCHMSA-N -1 1 399.407 1.552 20 0 GDADMM CCN(C)S(=O)(=O)Nc1ccccc1Oc1ncccc1-c1nn[n-]n1 ZINC000821164372 599695125 /nfs/dbraw/zinc/69/51/25/599695125.db2.gz DAYBLLQMOPRJNM-UHFFFAOYSA-N -1 1 375.414 1.662 20 0 GDADMM CCN(CCC(=O)[O-])CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000737097177 599714604 /nfs/dbraw/zinc/71/46/04/599714604.db2.gz JSWBRHVXXLOKGW-UHFFFAOYSA-N -1 1 379.482 1.611 20 0 GDADMM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000736206689 599718854 /nfs/dbraw/zinc/71/88/54/599718854.db2.gz XHWDIQSZWFULGE-KBPBESRZSA-N -1 1 383.489 1.545 20 0 GDADMM O=C([O-])Nc1cc(NC(=O)C(=O)NCCCCN2CCOCC2)ccc1F ZINC000740003398 599723344 /nfs/dbraw/zinc/72/33/44/599723344.db2.gz PMGNWSHZXJPOOZ-UHFFFAOYSA-N -1 1 382.392 1.083 20 0 GDADMM Cc1oc(CSCC(=O)NC[C@H]2CN(CC(C)C)CCO2)cc1C(=O)[O-] ZINC000738974848 599734552 /nfs/dbraw/zinc/73/45/52/599734552.db2.gz HORGOIXMVGXEBC-HNNXBMFYSA-N -1 1 384.498 1.992 20 0 GDADMM O=C([O-])c1ccc(S(=O)(=O)NCCN2CCN(Cc3ccccc3)CC2)o1 ZINC000389856791 599735967 /nfs/dbraw/zinc/73/59/67/599735967.db2.gz WBYJWFWOBZTPNW-UHFFFAOYSA-N -1 1 393.465 1.074 20 0 GDADMM COC(=O)[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1)c1cc(F)ccc1F ZINC000737575036 599761374 /nfs/dbraw/zinc/76/13/74/599761374.db2.gz ALTIHRWYSMIYCG-CQSZACIVSA-N -1 1 385.344 1.856 20 0 GDADMM C[C@H](NC(=O)N1CC[C@H](C(=O)[O-])C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000736643082 599795317 /nfs/dbraw/zinc/79/53/17/599795317.db2.gz PWXZJTDKTQDWBO-KBPBESRZSA-N -1 1 378.448 1.755 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)Nc2cccc(NC(C)=O)c2)c(C(=O)[O-])s1 ZINC000737679762 599813567 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602628147 /nfs/dbraw/zinc/62/81/47/602628147.db2.gz RXYYCBLPOOIVSN-DOTOQJQBSA-N -1 1 377.489 1.273 20 0 GDADMM C[C@H](NC(=O)NCCN(C)C(=O)[O-])c1cc(F)ccc1N1CCN(C)CC1 ZINC000738972771 602629343 /nfs/dbraw/zinc/62/93/43/602629343.db2.gz KCGASTRVUYEDJT-ZDUSSCGKSA-N -1 1 381.452 1.548 20 0 GDADMM CCN(CCCNCc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl)C(=O)[O-] ZINC000739422629 602649544 /nfs/dbraw/zinc/64/95/44/602649544.db2.gz YCSNAJZBKSCVDF-LBPRGKRZSA-N -1 1 392.909 1.684 20 0 GDADMM O=C([O-])NCCNC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000740662673 602665797 /nfs/dbraw/zinc/66/57/97/602665797.db2.gz GDUPRYODAXZMQB-UHFFFAOYSA-N -1 1 383.206 1.301 20 0 GDADMM O=C([O-])NCCNC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000740662673 602665799 /nfs/dbraw/zinc/66/57/99/602665799.db2.gz GDUPRYODAXZMQB-UHFFFAOYSA-N -1 1 383.206 1.301 20 0 GDADMM CC[C@@H]1CN(CCn2cccn2)CCN1Cc1nc(C(C)(C)NC(=O)[O-])no1 ZINC000739279320 602678079 /nfs/dbraw/zinc/67/80/79/602678079.db2.gz MSELAXTZJPSYHO-CQSZACIVSA-N -1 1 391.476 1.365 20 0 GDADMM O=S(=O)(NCCCOc1ccccc1F)c1cccc(F)c1-c1nnn[n-]1 ZINC000826490795 607580984 /nfs/dbraw/zinc/58/09/84/607580984.db2.gz HXGWQEQDGJCUDD-UHFFFAOYSA-N -1 1 395.391 1.892 20 0 GDADMM O=S(=O)(NCCCOc1ccccc1F)c1cccc(F)c1-c1nn[n-]n1 ZINC000826490795 607580986 /nfs/dbraw/zinc/58/09/86/607580986.db2.gz HXGWQEQDGJCUDD-UHFFFAOYSA-N -1 1 395.391 1.892 20 0 GDADMM O=C([O-])N1CC[C@@H](CCNC(=O)NC2CCN(Cc3ccccn3)CC2)C1 ZINC000740430914 602697501 /nfs/dbraw/zinc/69/75/01/602697501.db2.gz VZALRPMOUNZBIU-OAHLLOKOSA-N -1 1 375.473 1.735 20 0 GDADMM O=S(=O)(NCCOCC(F)(F)F)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826491334 607582863 /nfs/dbraw/zinc/58/28/63/607582863.db2.gz DNIGOIZXIZXXAZ-UHFFFAOYSA-N -1 1 385.755 1.377 20 0 GDADMM O=S(=O)(NCCOCC(F)(F)F)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826491334 607582865 /nfs/dbraw/zinc/58/28/65/607582865.db2.gz DNIGOIZXIZXXAZ-UHFFFAOYSA-N -1 1 385.755 1.377 20 0 GDADMM O=C([O-])NC[C@H](C(=O)N1CCC(CCN2CCOCC2)CC1)c1ccccc1 ZINC000832402663 602772086 /nfs/dbraw/zinc/77/20/86/602772086.db2.gz KPSUPRPZGRCVGM-IBGZPJMESA-N -1 1 389.496 1.999 20 0 GDADMM CNC(=O)c1cccc(OS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826073050 607585361 /nfs/dbraw/zinc/58/53/61/607585361.db2.gz BTPGJLOPRQAEFD-UHFFFAOYSA-N -1 1 377.357 1.133 20 0 GDADMM CNC(=O)c1cccc(OS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826073050 607585362 /nfs/dbraw/zinc/58/53/62/607585362.db2.gz BTPGJLOPRQAEFD-UHFFFAOYSA-N -1 1 377.357 1.133 20 0 GDADMM O=S(=O)(N[C@H]1COc2ccccc2C1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826489037 607587785 /nfs/dbraw/zinc/58/77/85/607587785.db2.gz GIPREGCDXHCWRS-GFCCVEGCSA-N -1 1 375.385 1.288 20 0 GDADMM O=C([O-])N1CCc2ccc(NC(=O)N3CCN([C@H]4CCC[C@H]4O)CC3)cc2C1 ZINC000740529300 602826522 /nfs/dbraw/zinc/82/65/22/602826522.db2.gz FLGRPMQSQIXJNP-ZWKOTPCHSA-N -1 1 388.468 1.786 20 0 GDADMM COc1ccc([C@H](CNC(=O)[C@@H]2COCCN2C(=O)[O-])N2CCCCC2)cc1 ZINC000739897519 602827011 /nfs/dbraw/zinc/82/70/11/602827011.db2.gz WYPLONFKENOLKJ-ROUUACIJSA-N -1 1 391.468 1.717 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N(C[C@H]1CCOC1)C1CC1 ZINC000826495087 607589773 /nfs/dbraw/zinc/58/97/73/607589773.db2.gz CBHYIBGQEMZDDA-SNVBAGLBSA-N -1 1 383.861 1.710 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N(C[C@H]1CCOC1)C1CC1 ZINC000826495087 607589774 /nfs/dbraw/zinc/58/97/74/607589774.db2.gz CBHYIBGQEMZDDA-SNVBAGLBSA-N -1 1 383.861 1.710 20 0 GDADMM CCOc1cccc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000825649288 607590241 /nfs/dbraw/zinc/59/02/41/607590241.db2.gz NWBCJIJDRFOAJL-UHFFFAOYSA-N -1 1 377.401 1.883 20 0 GDADMM CCN1CCN(c2ccc(CNC(=O)[C@@H]3CCC[C@@H]3NC(=O)[O-])cn2)CC1 ZINC000739454749 603024840 /nfs/dbraw/zinc/02/48/40/603024840.db2.gz ARPHLXVJLHRJKV-CVEARBPZSA-N -1 1 375.473 1.276 20 0 GDADMM CCNC(=O)c1cccc(OS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000825476607 607602652 /nfs/dbraw/zinc/60/26/52/607602652.db2.gz PDSIJLHYQOHUMG-UHFFFAOYSA-N -1 1 391.384 1.523 20 0 GDADMM CCNC(=O)c1cccc(OS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000825476607 607602655 /nfs/dbraw/zinc/60/26/55/607602655.db2.gz PDSIJLHYQOHUMG-UHFFFAOYSA-N -1 1 391.384 1.523 20 0 GDADMM O=C([O-])Nc1ccc(NC(=O)C(=O)NCCN2CCCC2)c(C(F)(F)F)c1 ZINC000740706006 603050139 /nfs/dbraw/zinc/05/01/39/603050139.db2.gz NTXVCTLPEBADEK-UHFFFAOYSA-N -1 1 388.346 1.946 20 0 GDADMM COCC[C@@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826154294 607603532 /nfs/dbraw/zinc/60/35/32/607603532.db2.gz MAZKOXVTWYXDHF-MRVPVSSYSA-N -1 1 379.364 1.589 20 0 GDADMM COCCN(Cc1cccnc1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826159260 607606239 /nfs/dbraw/zinc/60/62/39/607606239.db2.gz ZIWSXGXYGLJZFL-UHFFFAOYSA-N -1 1 392.416 1.238 20 0 GDADMM COc1ccc(CCNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1F ZINC000826192180 607606791 /nfs/dbraw/zinc/60/67/91/607606791.db2.gz CMPUZWZFHJSHCW-UHFFFAOYSA-N -1 1 395.391 1.675 20 0 GDADMM COCCN(CC(=O)N1CCCN(Cc2ccc(OC)cc2)CC1)C(=O)[O-] ZINC000739818055 603106074 /nfs/dbraw/zinc/10/60/74/603106074.db2.gz UWYAXSYWEGVUQA-UHFFFAOYSA-N -1 1 379.457 1.356 20 0 GDADMM O=C([O-])NC1CCC(NC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)CC1 ZINC000740555113 603151548 /nfs/dbraw/zinc/15/15/48/603151548.db2.gz ADUMYTFWDGHOCD-DAWZGUTISA-N -1 1 390.484 1.284 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCO[C@H](c2nccs2)C1 ZINC000826495624 607613952 /nfs/dbraw/zinc/61/39/52/607613952.db2.gz VDKAYRAVMRMQPD-NSHDSACASA-N -1 1 396.429 1.225 20 0 GDADMM O=C([O-])N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000740344328 603241532 /nfs/dbraw/zinc/24/15/32/603241532.db2.gz FXDFYEMDHHIEQJ-KURKYZTESA-N -1 1 379.501 1.868 20 0 GDADMM CCN1CCN(c2ccc(CNC(=O)[C@@H]3CCC[C@@H](NC(=O)[O-])C3)cn2)CC1 ZINC000739462245 603241662 /nfs/dbraw/zinc/24/16/62/603241662.db2.gz XBABRQYKZDVADA-IAGOWNOFSA-N -1 1 389.500 1.666 20 0 GDADMM O=S(=O)(Oc1cccc(-n2cccn2)c1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826493728 607620879 /nfs/dbraw/zinc/62/08/79/607620879.db2.gz ZUHWUQDCUXKUBT-UHFFFAOYSA-N -1 1 386.368 1.959 20 0 GDADMM O=S(=O)(Oc1cccc(-n2cccn2)c1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826493728 607620880 /nfs/dbraw/zinc/62/08/80/607620880.db2.gz ZUHWUQDCUXKUBT-UHFFFAOYSA-N -1 1 386.368 1.959 20 0 GDADMM CN(Cc1ccccc1NC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1)C(=O)[O-] ZINC000739713507 603341289 /nfs/dbraw/zinc/34/12/89/603341289.db2.gz JKEKCLLIMUQLJY-IAGOWNOFSA-N -1 1 376.457 1.859 20 0 GDADMM CC(C)C[C@@H](CO)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824237910 607623136 /nfs/dbraw/zinc/62/31/36/607623136.db2.gz WPTYTDBMIJGOFC-JTQLQIEISA-N -1 1 393.391 1.571 20 0 GDADMM CN(Cc1cccc(NC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)c1)C(=O)[O-] ZINC000739713061 603365672 /nfs/dbraw/zinc/36/56/72/603365672.db2.gz KYJVRAMDKJFWQY-IAGOWNOFSA-N -1 1 376.457 1.859 20 0 GDADMM COC(=O)[C@@]1(NC(=O)CC2CN(C(=O)[O-])C2)CCCN(Cc2ccccc2)C1 ZINC000828623715 603468180 /nfs/dbraw/zinc/46/81/80/603468180.db2.gz FMDYFTXGOGBYDM-HXUWFJFHSA-N -1 1 389.452 1.310 20 0 GDADMM C[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)[C@@H](O)c1ccc(F)cc1 ZINC000824641809 607636419 /nfs/dbraw/zinc/63/64/19/607636419.db2.gz ZDRSNNCVAZFBCT-BJOHPYRUSA-N -1 1 395.391 1.545 20 0 GDADMM CC[C@H](C)[C@H](O)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825061500 607636952 /nfs/dbraw/zinc/63/69/52/607636952.db2.gz XSVNFLRHROUKFQ-GZMMTYOYSA-N -1 1 393.391 1.571 20 0 GDADMM CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N[C@H]1CCCC[C@H]1CNC(=O)[O-] ZINC000828043023 603563314 /nfs/dbraw/zinc/56/33/14/603563314.db2.gz YDDVWEOIEWCLJB-ZFWWWQNUSA-N -1 1 391.472 1.795 20 0 GDADMM C[C@@H]1[C@H](c2ccccc2)CCN1CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O ZINC000825777675 603606660 /nfs/dbraw/zinc/60/66/60/603606660.db2.gz AHKRYLIGUOYNQC-GDBMZVCRSA-N -1 1 386.452 1.886 20 0 GDADMM O=S(=O)(NC[C@H](O)c1ccccc1Cl)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826489001 607643219 /nfs/dbraw/zinc/64/32/19/607643219.db2.gz FHCWGKZXCHTJAW-ZDUSSCGKSA-N -1 1 397.819 1.671 20 0 GDADMM O=S(=O)(N[C@H](CCO)c1cccs1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826487238 607643619 /nfs/dbraw/zinc/64/36/19/607643619.db2.gz ILPKBIKJHWSYMY-LLVKDONJSA-N -1 1 383.430 1.469 20 0 GDADMM COc1ccc([C@@H](CNC(=O)COC2CN(C(=O)[O-])C2)N2CCCC2)cc1 ZINC000829310906 603741118 /nfs/dbraw/zinc/74/11/18/603741118.db2.gz KFSILQDENYWYEV-QGZVFWFLSA-N -1 1 377.441 1.327 20 0 GDADMM COc1ccccc1[C@@H](CNC(=O)COC1CN(C(=O)[O-])C1)N1CCCCC1 ZINC000829592037 603747094 /nfs/dbraw/zinc/74/70/94/603747094.db2.gz KXTHZMCRQSRJDN-QGZVFWFLSA-N -1 1 391.468 1.717 20 0 GDADMM CN(C[C@H]1CCCN(C(=O)C(=O)Nc2ccn(-c3ccncc3)n2)C1)C(=O)[O-] ZINC000828174269 603748417 /nfs/dbraw/zinc/74/84/17/603748417.db2.gz CPCBRRAUTFAJKT-CYBMUJFWSA-N -1 1 386.412 1.054 20 0 GDADMM COc1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)cc1OC ZINC000826211628 607654806 /nfs/dbraw/zinc/65/48/06/607654806.db2.gz NGAGXTHWYIZVSY-UHFFFAOYSA-N -1 1 380.357 1.791 20 0 GDADMM COc1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1OC ZINC000826211628 607654807 /nfs/dbraw/zinc/65/48/07/607654807.db2.gz NGAGXTHWYIZVSY-UHFFFAOYSA-N -1 1 380.357 1.791 20 0 GDADMM O=C([O-])N1CC[C@@](F)(C(=O)Nc2ccc3nc(N4CCOCC4)[nH]c3c2)C1 ZINC000831908000 603847649 /nfs/dbraw/zinc/84/76/49/603847649.db2.gz NFDGMXYETUDJNS-KRWDZBQOSA-N -1 1 377.376 1.430 20 0 GDADMM CCC(CC)(CNC(=O)c1ccc(CN2CCN(C)CC2)cc1)NC(=O)[O-] ZINC000826552512 603873408 /nfs/dbraw/zinc/87/34/08/603873408.db2.gz KUIVVZQEVPAKIB-UHFFFAOYSA-N -1 1 376.501 1.990 20 0 GDADMM C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2 ZINC000826049810 603907701 /nfs/dbraw/zinc/90/77/01/603907701.db2.gz OEOPBASWUPKZOU-SJKOYZFVSA-N -1 1 386.452 1.260 20 0 GDADMM C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc(-c2nc(CNC(=O)[O-])n[nH]2)cc1 ZINC000825612239 603911547 /nfs/dbraw/zinc/91/15/47/603911547.db2.gz QZYNQDLRAIBWSD-RISCZKNCSA-N -1 1 389.412 1.762 20 0 GDADMM C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc(-c2n[nH]c(CNC(=O)[O-])n2)cc1 ZINC000825612239 603911549 /nfs/dbraw/zinc/91/15/49/603911549.db2.gz QZYNQDLRAIBWSD-RISCZKNCSA-N -1 1 389.412 1.762 20 0 GDADMM Cn1ncc2cc(C(=O)Nc3ccc(-c4nc(CNC(=O)[O-])n[nH]4)cc3)cnc21 ZINC000831059462 603913424 /nfs/dbraw/zinc/91/34/24/603913424.db2.gz URXHRZVNPMHBIN-UHFFFAOYSA-N -1 1 392.379 1.773 20 0 GDADMM Cn1ncc2cc(C(=O)Nc3ccc(-c4n[nH]c(CNC(=O)[O-])n4)cc3)cnc21 ZINC000831059462 603913428 /nfs/dbraw/zinc/91/34/28/603913428.db2.gz URXHRZVNPMHBIN-UHFFFAOYSA-N -1 1 392.379 1.773 20 0 GDADMM CN(C(=O)CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)C1CCCCC1 ZINC000825817682 607662327 /nfs/dbraw/zinc/66/23/27/607662327.db2.gz MTNUUVXDUGDQDC-UHFFFAOYSA-N -1 1 396.448 1.075 20 0 GDADMM CN(C(=O)CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)C1CCCCC1 ZINC000825817682 607662329 /nfs/dbraw/zinc/66/23/29/607662329.db2.gz MTNUUVXDUGDQDC-UHFFFAOYSA-N -1 1 396.448 1.075 20 0 GDADMM O=C([O-])N1CCN(c2n[nH]c(NC(=O)c3cn[nH]c3-c3ccccc3)n2)CC1 ZINC000831810502 603960283 /nfs/dbraw/zinc/96/02/83/603960283.db2.gz OKJWYHHAZADCNV-UHFFFAOYSA-N -1 1 382.384 1.247 20 0 GDADMM Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826328806 607666095 /nfs/dbraw/zinc/66/60/95/607666095.db2.gz DLUZNWUQGVYWLD-JTQLQIEISA-N -1 1 394.848 1.233 20 0 GDADMM Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826328806 607666097 /nfs/dbraw/zinc/66/60/97/607666097.db2.gz DLUZNWUQGVYWLD-JTQLQIEISA-N -1 1 394.848 1.233 20 0 GDADMM NC(=O)[C@@H]1CCCCC[C@@H]1NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826389726 607671241 /nfs/dbraw/zinc/67/12/41/607671241.db2.gz GTWFOPJQZKLFOG-KOLCDFICSA-N -1 1 398.876 1.233 20 0 GDADMM NC(=O)[C@@H]1CCCCC[C@@H]1NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826389726 607671243 /nfs/dbraw/zinc/67/12/43/607671243.db2.gz GTWFOPJQZKLFOG-KOLCDFICSA-N -1 1 398.876 1.233 20 0 GDADMM O=S(=O)(NCCOc1ncccc1Cl)c1cccc(F)c1-c1nnn[n-]1 ZINC000826491706 607673150 /nfs/dbraw/zinc/67/31/50/607673150.db2.gz XAVZEPCAKJMAJU-UHFFFAOYSA-N -1 1 398.807 1.412 20 0 GDADMM O=S(=O)(NCCOc1ncccc1Cl)c1cccc(F)c1-c1nn[n-]n1 ZINC000826491706 607673152 /nfs/dbraw/zinc/67/31/52/607673152.db2.gz XAVZEPCAKJMAJU-UHFFFAOYSA-N -1 1 398.807 1.412 20 0 GDADMM O=S(=O)(NCc1ccn2ccnc2c1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826491940 607674122 /nfs/dbraw/zinc/67/41/22/607674122.db2.gz KUPJJJZWRTYOOS-UHFFFAOYSA-N -1 1 389.828 1.646 20 0 GDADMM O=C([O-])N1CCc2ccc(NC(=O)N3CCN(C[C@@H]4CCOC4)CC3)cc2C1 ZINC000832079135 604142052 /nfs/dbraw/zinc/14/20/52/604142052.db2.gz FJFZFOFGAJHMCY-HNNXBMFYSA-N -1 1 388.468 1.909 20 0 GDADMM COc1ccc(-c2n[nH]c(CNC(=O)N[C@H]3CCC[C@H]3CNC(=O)[O-])n2)cc1 ZINC000829243877 604152804 /nfs/dbraw/zinc/15/28/04/604152804.db2.gz WBRWYMVORPGJLK-JSGCOSHPSA-N -1 1 388.428 1.716 20 0 GDADMM COc1ccc(-c2nc(CNC(=O)N[C@H]3CCC[C@H]3CNC(=O)[O-])n[nH]2)cc1 ZINC000829243877 604152810 /nfs/dbraw/zinc/15/28/10/604152810.db2.gz WBRWYMVORPGJLK-JSGCOSHPSA-N -1 1 388.428 1.716 20 0 GDADMM CC(C)[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-])N1CCN(C)CC1 ZINC000824115688 604160218 /nfs/dbraw/zinc/16/02/18/604160218.db2.gz DQEPGBZNLMFNFK-IXDOHACOSA-N -1 1 381.521 1.185 20 0 GDADMM Cc1c([C@H](C)NCCN2CCN(C(=O)[O-])CC2)nnn1-c1ccc(F)cc1 ZINC000829859167 604268972 /nfs/dbraw/zinc/26/89/72/604268972.db2.gz 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-1 1 383.489 1.641 20 0 GDADMM C[C@@H]1CN(C(=O)CCC(=O)N2CCc3sccc3C2)CCN1CCC(=O)[O-] ZINC000833620230 605257042 /nfs/dbraw/zinc/25/70/42/605257042.db2.gz VTURWHRJRGMMGV-CQSZACIVSA-N -1 1 393.509 1.420 20 0 GDADMM C[C@@H]1CN(C(=O)c2cccc(OC[C@@H]3CCCO3)c2)CCN1CCC(=O)[O-] ZINC000833619168 605258365 /nfs/dbraw/zinc/25/83/65/605258365.db2.gz AUUSDJBGIKLOAY-QAPCUYQASA-N -1 1 376.453 1.865 20 0 GDADMM C[C@H]1CN(C(=O)[C@H](c2cccc(F)c2)N2CCOCC2)CCN1CCC(=O)[O-] ZINC000833620242 605258840 /nfs/dbraw/zinc/25/88/40/605258840.db2.gz VYYJOJDFICBQAH-KXBFYZLASA-N -1 1 393.459 1.206 20 0 GDADMM Cc1noc(C)c1[C@H](C)CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826338706 607745046 /nfs/dbraw/zinc/74/50/46/607745046.db2.gz FDOQPUZKUQLAMN-MRVPVSSYSA-N -1 1 380.405 1.693 20 0 GDADMM CC1(NS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CCOCC1 ZINC000824838453 607746947 /nfs/dbraw/zinc/74/69/47/607746947.db2.gz PGQFNGMLOYMVNO-UHFFFAOYSA-N -1 1 391.375 1.733 20 0 GDADMM O=C([O-])NCC(=O)NCC(=O)Nc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1 ZINC000834198273 605380420 /nfs/dbraw/zinc/38/04/20/605380420.db2.gz GPRBSLUZYKMJMW-UHFFFAOYSA-N -1 1 385.355 1.691 20 0 GDADMM COC(=O)c1cc(NC(=O)[C@H](C)N(C)C[C@@H]2CCCC[C@H]2O)cc(C(=O)[O-])c1 ZINC000833712275 605393804 /nfs/dbraw/zinc/39/38/04/605393804.db2.gz BYBBQFTVSVEMGG-GDZNZVCISA-N -1 1 392.452 1.981 20 0 GDADMM C[C@@H](NC(=O)[O-])C1CCN(C(=O)C(=O)Nc2cnn(-c3ccncc3)c2)CC1 ZINC000825280595 605492136 /nfs/dbraw/zinc/49/21/36/605492136.db2.gz HVBSDMYEFAKJJW-GFCCVEGCSA-N -1 1 386.412 1.101 20 0 GDADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N(C)CCN(C)C(=O)[O-] ZINC000833862449 605533426 /nfs/dbraw/zinc/53/34/26/605533426.db2.gz WNQXEILYGJYJHE-UHFFFAOYSA-N -1 1 393.488 1.911 20 0 GDADMM O=C(C[C@@H]1CSCCN1C(=O)[O-])NCC1(N2CCOCC2)CCCCC1 ZINC000831408755 605577045 /nfs/dbraw/zinc/57/70/45/605577045.db2.gz OUDUWGRKBZNKTH-OAHLLOKOSA-N -1 1 385.530 1.623 20 0 GDADMM COc1cccc([C@H](CNC(=O)C[C@H]2CSCCN2C(=O)[O-])N(C)C)c1 ZINC000829543375 605601813 /nfs/dbraw/zinc/60/18/13/605601813.db2.gz JGILGNDBRAVNTG-HOCLYGCPSA-N -1 1 381.498 1.900 20 0 GDADMM O=C([O-])N1CCC[C@H](n2cc(C(=O)N3CCN(C4CCCC4)CC3)cn2)C1 ZINC000834105876 605627996 /nfs/dbraw/zinc/62/79/96/605627996.db2.gz PYQOXKZSVQHMTB-KRWDZBQOSA-N -1 1 375.473 1.898 20 0 GDADMM O=C([O-])NC[C@H](NC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)C1CC1 ZINC000832428197 605636293 /nfs/dbraw/zinc/63/62/93/605636293.db2.gz ONADACVEKDXRMZ-OKZBNKHCSA-N -1 1 390.484 1.215 20 0 GDADMM CN(CC(=O)NCc1ccc(C(=O)[O-])c(C2CC2)n1)c1ncnc2[nH]cnc21 ZINC000833691402 605639463 /nfs/dbraw/zinc/63/94/63/605639463.db2.gz FAXBGXNFXMNMIV-UHFFFAOYSA-N -1 1 381.396 1.076 20 0 GDADMM CC(C)(CNC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)NC(=O)[O-] ZINC000823930757 605647424 /nfs/dbraw/zinc/64/74/24/605647424.db2.gz NMOGQWQGLGVJFB-JKSUJKDBSA-N -1 1 378.473 1.215 20 0 GDADMM O=C([O-])N1CCC[C@H](NC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)C1 ZINC000834018685 605663492 /nfs/dbraw/zinc/66/34/92/605663492.db2.gz LGIQLQGQSAWTCB-BZSNNMDCSA-N -1 1 390.484 1.311 20 0 GDADMM O=C([O-])N1CCC(n2cc(C(=O)Nc3ccccc3-c3nnc[nH]3)nn2)CC1 ZINC000834056690 605710552 /nfs/dbraw/zinc/71/05/52/605710552.db2.gz UFIFAGQXVCUVPK-UHFFFAOYSA-N -1 1 382.384 1.630 20 0 GDADMM Cc1nc(CN2CCN(C(=O)[C@H]3c4ccccc4CCN3C(=O)[O-])CC2)n[nH]1 ZINC000830752056 605729285 /nfs/dbraw/zinc/72/92/85/605729285.db2.gz SEIRIXAXLSCTFD-QGZVFWFLSA-N -1 1 384.440 1.035 20 0 GDADMM N=C(NOCc1nn(-c2ccccc2)c2c1CCC2)[C@H]1COCCN1C(=O)[O-] ZINC000833981158 605731567 /nfs/dbraw/zinc/73/15/67/605731567.db2.gz RYFBPLMEJUMLSR-QGZVFWFLSA-N -1 1 385.424 1.738 20 0 GDADMM C[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2O)CCN1CCC(=O)[O-] ZINC000833617910 605766825 /nfs/dbraw/zinc/76/68/25/605766825.db2.gz IOVSVIJOXMBPHY-GDBMZVCRSA-N -1 1 389.452 1.004 20 0 GDADMM O=C([O-])N1CCO[C@@H](CC(=O)N2CCC(CCCN3CCOCC3)CC2)C1 ZINC000834116091 605813213 /nfs/dbraw/zinc/81/32/13/605813213.db2.gz HRZGOABRMSKOHI-KRWDZBQOSA-N -1 1 383.489 1.106 20 0 GDADMM C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1Cc1cc(C(=O)[O-])ccc1Cl ZINC000833621151 605831787 /nfs/dbraw/zinc/83/17/87/605831787.db2.gz MJVQDKWAUHEMGL-PBHICJAKSA-N -1 1 381.904 1.875 20 0 GDADMM C[C@@H]1CN(C[C@H]2CN(C)CCO2)CCN1Cc1cc(C(=O)[O-])ccc1Cl ZINC000833621153 605831849 /nfs/dbraw/zinc/83/18/49/605831849.db2.gz MJVQDKWAUHEMGL-RHSMWYFYSA-N -1 1 381.904 1.875 20 0 GDADMM O=C([O-])N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000834252502 605965964 /nfs/dbraw/zinc/96/59/64/605965964.db2.gz KGJROSCUDQUHIP-ABAIWWIYSA-N -1 1 383.412 1.266 20 0 GDADMM O=C([O-])N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000834252502 605965969 /nfs/dbraw/zinc/96/59/69/605965969.db2.gz KGJROSCUDQUHIP-ABAIWWIYSA-N -1 1 383.412 1.266 20 0 GDADMM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000834092862 605976916 /nfs/dbraw/zinc/97/69/16/605976916.db2.gz JTUXUFPHNGGRLU-MSOLQXFVSA-N -1 1 387.484 1.972 20 0 GDADMM CO[C@H](C)c1noc(CN2CCCN(c3cccc(-c4nn[n-]n4)n3)CC2)n1 ZINC000821675135 606103147 /nfs/dbraw/zinc/10/31/47/606103147.db2.gz DRMLTEVGDAVXEK-GFCCVEGCSA-N -1 1 385.432 1.064 20 0 GDADMM Cn1cc(N2CCN(c3cc(-c4nnn[n-]4)nc4ccccc43)CC2=O)cn1 ZINC000822684564 606103756 /nfs/dbraw/zinc/10/37/56/606103756.db2.gz BHCLWOMGWKXGRZ-UHFFFAOYSA-N -1 1 375.396 1.002 20 0 GDADMM Cn1cc(N2CCN(c3cc(-c4nn[n-]n4)nc4ccccc43)CC2=O)cn1 ZINC000822684564 606103757 /nfs/dbraw/zinc/10/37/57/606103757.db2.gz BHCLWOMGWKXGRZ-UHFFFAOYSA-N -1 1 375.396 1.002 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)NC[C@H]1Cc2ccccc2O1 ZINC000823026884 606133218 /nfs/dbraw/zinc/13/32/18/606133218.db2.gz HGOSXKXQBOGPLE-LLVKDONJSA-N -1 1 385.405 1.205 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)NC[C@H]1Cc2ccccc2O1 ZINC000823026884 606133219 /nfs/dbraw/zinc/13/32/19/606133219.db2.gz HGOSXKXQBOGPLE-LLVKDONJSA-N -1 1 385.405 1.205 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)NC(=O)Nc1ccccc1 ZINC000820511846 606133736 /nfs/dbraw/zinc/13/37/36/606133736.db2.gz DFLJOHWETVKYKD-SECBINFHSA-N -1 1 386.393 1.822 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)NC(=O)Nc1ccccc1 ZINC000820511846 606133738 /nfs/dbraw/zinc/13/37/38/606133738.db2.gz DFLJOHWETVKYKD-SECBINFHSA-N -1 1 386.393 1.822 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)NCCc1ccc(F)cc1 ZINC000820513261 606135559 /nfs/dbraw/zinc/13/55/59/606135559.db2.gz YLHRBNNSBJPJJW-SNVBAGLBSA-N -1 1 389.412 1.972 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)NCCc1ccc(F)cc1 ZINC000820513261 606135560 /nfs/dbraw/zinc/13/55/60/606135560.db2.gz YLHRBNNSBJPJJW-SNVBAGLBSA-N -1 1 389.412 1.972 20 0 GDADMM COc1ccc(NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)cc1OC ZINC000821831672 606138001 /nfs/dbraw/zinc/13/80/01/606138001.db2.gz IMIMSHQANAFWRF-UHFFFAOYSA-N -1 1 389.393 1.741 20 0 GDADMM COc1ccc(NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)cc1OC ZINC000821831672 606138003 /nfs/dbraw/zinc/13/80/03/606138003.db2.gz IMIMSHQANAFWRF-UHFFFAOYSA-N -1 1 389.393 1.741 20 0 GDADMM Cc1nn(-c2ccccc2)c(COC(=O)[C@H](C)c2cnn(C)c2)c1-c1nn[n-]n1 ZINC000822487065 606151271 /nfs/dbraw/zinc/15/12/71/606151271.db2.gz ZSCSZBSMHSJONB-GFCCVEGCSA-N -1 1 392.423 1.941 20 0 GDADMM CC(C)CC(=O)Nc1cccc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC000820051271 606156281 /nfs/dbraw/zinc/15/62/81/606156281.db2.gz MAZRGEWXOGKLES-UHFFFAOYSA-N -1 1 397.443 1.907 20 0 GDADMM CC(C)CC(=O)Nc1cccc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC000820051271 606156283 /nfs/dbraw/zinc/15/62/83/606156283.db2.gz MAZRGEWXOGKLES-UHFFFAOYSA-N -1 1 397.443 1.907 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H](c2ccc3c(c2)OCCO3)C2CC2)n1 ZINC000822609684 606157413 /nfs/dbraw/zinc/15/74/13/606157413.db2.gz VDCOVDQSIPIQBW-HNNXBMFYSA-N -1 1 396.411 1.644 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H](c2ccc3c(c2)OCCO3)C2CC2)n1 ZINC000822609684 606157414 /nfs/dbraw/zinc/15/74/14/606157414.db2.gz VDCOVDQSIPIQBW-HNNXBMFYSA-N -1 1 396.411 1.644 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@H](O)c2c(Cl)cccc2Cl)n1 ZINC000822614719 606159224 /nfs/dbraw/zinc/15/92/24/606159224.db2.gz QGSYBAKWONNIFT-JTQLQIEISA-N -1 1 397.226 1.762 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@H](O)c2c(Cl)cccc2Cl)n1 ZINC000822614719 606159226 /nfs/dbraw/zinc/15/92/26/606159226.db2.gz QGSYBAKWONNIFT-JTQLQIEISA-N -1 1 397.226 1.762 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccnc(OC3CCCC3)c2)n1 ZINC000822620202 606160304 /nfs/dbraw/zinc/16/03/04/606160304.db2.gz LOHPXPPWZQUIBK-UHFFFAOYSA-N -1 1 383.416 1.638 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccnc(OC3CCCC3)c2)n1 ZINC000822620202 606160306 /nfs/dbraw/zinc/16/03/06/606160306.db2.gz LOHPXPPWZQUIBK-UHFFFAOYSA-N -1 1 383.416 1.638 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2)ccc1F ZINC000370057663 606162801 /nfs/dbraw/zinc/16/28/01/606162801.db2.gz NOLYOVVKLMSCRQ-UHFFFAOYSA-N -1 1 377.357 1.593 20 0 GDADMM CC(C)[C@H](C)NC(=O)C1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC1 ZINC000820017474 606162907 /nfs/dbraw/zinc/16/29/07/606162907.db2.gz XRZWFPDLQUTBGQ-NSHDSACASA-N -1 1 389.464 1.005 20 0 GDADMM CC(C)[C@H](C)NC(=O)C1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC1 ZINC000820017474 606162908 /nfs/dbraw/zinc/16/29/08/606162908.db2.gz XRZWFPDLQUTBGQ-NSHDSACASA-N -1 1 389.464 1.005 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccc(OCC(F)(F)F)nc2)n1 ZINC000822620441 606162950 /nfs/dbraw/zinc/16/29/50/606162950.db2.gz QPBHTYWTZBAYGS-UHFFFAOYSA-N -1 1 397.321 1.258 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccc(OCC(F)(F)F)nc2)n1 ZINC000822620441 606162952 /nfs/dbraw/zinc/16/29/52/606162952.db2.gz QPBHTYWTZBAYGS-UHFFFAOYSA-N -1 1 397.321 1.258 20 0 GDADMM COc1cc2c(cc1OC)CN(C(=O)Nc1nn(C)cc1-c1nnn[n-]1)CC2 ZINC000821727712 606165479 /nfs/dbraw/zinc/16/54/79/606165479.db2.gz MQVDYNFCGHIABA-UHFFFAOYSA-N -1 1 384.400 1.208 20 0 GDADMM COc1cc2c(cc1OC)CN(C(=O)Nc1nn(C)cc1-c1nn[n-]n1)CC2 ZINC000821727712 606165481 /nfs/dbraw/zinc/16/54/81/606165481.db2.gz MQVDYNFCGHIABA-UHFFFAOYSA-N -1 1 384.400 1.208 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H](c2ccc(F)cc2)[C@H]2CCCO2)n1 ZINC000822609798 606168873 /nfs/dbraw/zinc/16/88/73/606168873.db2.gz VJGQJKNKNVFTQC-ZIAGYGMSSA-N -1 1 386.391 1.781 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H](c2ccc(F)cc2)[C@H]2CCCO2)n1 ZINC000822609798 606168874 /nfs/dbraw/zinc/16/88/74/606168874.db2.gz VJGQJKNKNVFTQC-ZIAGYGMSSA-N -1 1 386.391 1.781 20 0 GDADMM CN(CCOc1ccc(Cl)cc1)C(=O)Cn1cccc(-c2nn[n-]n2)c1=O ZINC000821603816 606176708 /nfs/dbraw/zinc/17/67/08/606176708.db2.gz PVVNZDPAJGUVES-UHFFFAOYSA-N -1 1 388.815 1.219 20 0 GDADMM C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1cc(-c3nn[nH]n3)ccc1[O-])C2=O ZINC000820698287 606195232 /nfs/dbraw/zinc/19/52/32/606195232.db2.gz SIAXOGMWVSDKKP-YPMLDQLKSA-N -1 1 399.411 1.012 20 0 GDADMM Cc1ccccc1[C@@H](CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])NC(N)=O ZINC000822344817 606294414 /nfs/dbraw/zinc/29/44/14/606294414.db2.gz AOUNZDJILXJSHK-CYBMUJFWSA-N -1 1 381.396 1.619 20 0 GDADMM Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])n[nH]1 ZINC000822486408 606296640 /nfs/dbraw/zinc/29/66/40/606296640.db2.gz IXAVUUFOHQJMCO-UHFFFAOYSA-N -1 1 379.384 1.565 20 0 GDADMM COc1ccc(S(=O)(=O)Nc2cc(-c3nn[nH]n3)ccc2O)cc1C(=O)[O-] ZINC000821845929 606337520 /nfs/dbraw/zinc/33/75/20/606337520.db2.gz MASKSKPXYHYCOE-UHFFFAOYSA-N -1 1 391.365 1.080 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)Nc2ccn(CC(F)F)n2)cc1-c1nn[n-]n1 ZINC000821978262 606380842 /nfs/dbraw/zinc/38/08/42/606380842.db2.gz KRFISJNBGOBOFZ-UHFFFAOYSA-N -1 1 382.356 1.403 20 0 GDADMM O=C(Cc1cccc(F)c1)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000823112153 606401496 /nfs/dbraw/zinc/40/14/96/606401496.db2.gz SSZSFUCAAPDYJG-UHFFFAOYSA-N -1 1 382.403 1.077 20 0 GDADMM O=C(Cc1cccc(F)c1)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000823112153 606401498 /nfs/dbraw/zinc/40/14/98/606401498.db2.gz SSZSFUCAAPDYJG-UHFFFAOYSA-N -1 1 382.403 1.077 20 0 GDADMM CN1C(=O)N[C@]2(CCC[C@H]2CNc2snc(Cl)c2-c2nnn[n-]2)C1=O ZINC000821620908 606422965 /nfs/dbraw/zinc/42/29/65/606422965.db2.gz ZNQDYOYWLFEAEX-IYQDAUBNSA-N -1 1 382.837 1.109 20 0 GDADMM CN1C(=O)N[C@]2(CCC[C@H]2CNc2snc(Cl)c2-c2nn[n-]n2)C1=O ZINC000821620908 606422967 /nfs/dbraw/zinc/42/29/67/606422967.db2.gz ZNQDYOYWLFEAEX-IYQDAUBNSA-N -1 1 382.837 1.109 20 0 GDADMM CO[C@@]1(C)C[C@H](N(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1(C)C ZINC000821679121 606432030 /nfs/dbraw/zinc/43/20/30/606432030.db2.gz XJZDBPHXBHMNSH-BBRMVZONSA-N -1 1 383.449 1.830 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OCC[C@H]1CCCO1 ZINC000822459277 606437949 /nfs/dbraw/zinc/43/79/49/606437949.db2.gz PKPRZQXYAAJPLQ-CYBMUJFWSA-N -1 1 385.428 1.571 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OCC[C@H]1CCCO1 ZINC000822459277 606437951 /nfs/dbraw/zinc/43/79/51/606437951.db2.gz PKPRZQXYAAJPLQ-CYBMUJFWSA-N -1 1 385.428 1.571 20 0 GDADMM Clc1ccc(Nc2ccn(CCN3CCOCC3)n2)nc1-c1nnn[n-]1 ZINC000822579104 606467233 /nfs/dbraw/zinc/46/72/33/606467233.db2.gz VVZWRIURERXYTH-UHFFFAOYSA-N -1 1 375.824 1.187 20 0 GDADMM Clc1ccc(Nc2ccn(CCN3CCOCC3)n2)nc1-c1nn[n-]n1 ZINC000822579104 606467234 /nfs/dbraw/zinc/46/72/34/606467234.db2.gz VVZWRIURERXYTH-UHFFFAOYSA-N -1 1 375.824 1.187 20 0 GDADMM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)[C@H]1Oc2ccccc2[C@H]1C ZINC000820443899 606473145 /nfs/dbraw/zinc/47/31/45/606473145.db2.gz AQRLBUZWGQVTGJ-GDLVEWKHSA-N -1 1 386.437 1.493 20 0 GDADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)[C@H]1Oc2ccccc2[C@H]1C ZINC000820443899 606473148 /nfs/dbraw/zinc/47/31/48/606473148.db2.gz AQRLBUZWGQVTGJ-GDLVEWKHSA-N -1 1 386.437 1.493 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCc2c(F)ccc(F)c2C1 ZINC000823600671 606474360 /nfs/dbraw/zinc/47/43/60/606474360.db2.gz KKFNHVMQKCLQOS-UHFFFAOYSA-N -1 1 378.364 1.287 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCc2c(F)ccc(F)c2C1 ZINC000823600671 606474362 /nfs/dbraw/zinc/47/43/62/606474362.db2.gz KKFNHVMQKCLQOS-UHFFFAOYSA-N -1 1 378.364 1.287 20 0 GDADMM COC(=O)c1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc(C(=O)OC)c1 ZINC000821668257 606487375 /nfs/dbraw/zinc/48/73/75/606487375.db2.gz XNCZVEWKQOLBEH-UHFFFAOYSA-N -1 1 387.377 1.754 20 0 GDADMM COC(=O)c1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc(C(=O)OC)c1 ZINC000821668257 606487376 /nfs/dbraw/zinc/48/73/76/606487376.db2.gz XNCZVEWKQOLBEH-UHFFFAOYSA-N -1 1 387.377 1.754 20 0 GDADMM CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821588435 606490344 /nfs/dbraw/zinc/49/03/44/606490344.db2.gz SGOMHJQERMCIDH-UHFFFAOYSA-N -1 1 378.439 1.431 20 0 GDADMM CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821588435 606490346 /nfs/dbraw/zinc/49/03/46/606490346.db2.gz SGOMHJQERMCIDH-UHFFFAOYSA-N -1 1 378.439 1.431 20 0 GDADMM O=C(NC[C@@H](c1ccccc1)N1CCOCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823165918 606502143 /nfs/dbraw/zinc/50/21/43/606502143.db2.gz BXFAIIMBIIQZFV-AWEZNQCLSA-N -1 1 384.465 1.732 20 0 GDADMM O=C(NC[C@@H](c1ccccc1)N1CCOCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823165918 606502145 /nfs/dbraw/zinc/50/21/45/606502145.db2.gz BXFAIIMBIIQZFV-AWEZNQCLSA-N -1 1 384.465 1.732 20 0 GDADMM O=C(CCCc1nc2ccccc2c(=O)[nH]1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822964838 606517142 /nfs/dbraw/zinc/51/71/42/606517142.db2.gz QUBJQCHTTVDAPC-UHFFFAOYSA-N -1 1 391.391 1.977 20 0 GDADMM O=C(CCCc1nc2ccccc2c(=O)[nH]1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822964838 606517143 /nfs/dbraw/zinc/51/71/43/606517143.db2.gz QUBJQCHTTVDAPC-UHFFFAOYSA-N -1 1 391.391 1.977 20 0 GDADMM O=C(NCCNC(=O)c1ccccc1Cl)c1ccc(-c2nnn[n-]2)s1 ZINC000823201167 606525331 /nfs/dbraw/zinc/52/53/31/606525331.db2.gz BQIUATMFQBBSNE-UHFFFAOYSA-N -1 1 376.829 1.741 20 0 GDADMM O=C(NCCNC(=O)c1ccccc1Cl)c1ccc(-c2nn[n-]n2)s1 ZINC000823201167 606525332 /nfs/dbraw/zinc/52/53/32/606525332.db2.gz BQIUATMFQBBSNE-UHFFFAOYSA-N -1 1 376.829 1.741 20 0 GDADMM O=C(c1ccsc1)N1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000823498636 606530062 /nfs/dbraw/zinc/53/00/62/606530062.db2.gz XASRMPQHBVFOKB-UHFFFAOYSA-N -1 1 388.478 1.978 20 0 GDADMM O=C(c1ccsc1)N1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000823498636 606530063 /nfs/dbraw/zinc/53/00/63/606530063.db2.gz XASRMPQHBVFOKB-UHFFFAOYSA-N -1 1 388.478 1.978 20 0 GDADMM Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000822344846 606532656 /nfs/dbraw/zinc/53/26/56/606532656.db2.gz BMBQBADRRHBAHT-CQSZACIVSA-N -1 1 382.428 1.681 20 0 GDADMM Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000822344846 606532658 /nfs/dbraw/zinc/53/26/58/606532658.db2.gz BMBQBADRRHBAHT-CQSZACIVSA-N -1 1 382.428 1.681 20 0 GDADMM COc1ccc(CN2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)s3)C2=O)cc1 ZINC000821795253 606563899 /nfs/dbraw/zinc/56/38/99/606563899.db2.gz WZBOIPOIHSYCQW-CYBMUJFWSA-N -1 1 398.448 1.468 20 0 GDADMM COc1ccc(CN2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)s3)C2=O)cc1 ZINC000821795253 606563900 /nfs/dbraw/zinc/56/39/00/606563900.db2.gz WZBOIPOIHSYCQW-CYBMUJFWSA-N -1 1 398.448 1.468 20 0 GDADMM CS(=O)(=O)NCc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821937921 606566884 /nfs/dbraw/zinc/56/68/84/606566884.db2.gz SXEHPCIDPLGYRZ-UHFFFAOYSA-N -1 1 378.439 1.230 20 0 GDADMM CS(=O)(=O)NCc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821937921 606566885 /nfs/dbraw/zinc/56/68/85/606566885.db2.gz SXEHPCIDPLGYRZ-UHFFFAOYSA-N -1 1 378.439 1.230 20 0 GDADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)C1(N2CCOCC2)CCCC1 ZINC000820391932 606598684 /nfs/dbraw/zinc/59/86/84/606598684.db2.gz SAFWEAJWTLIGTM-LBPRGKRZSA-N -1 1 376.486 1.692 20 0 GDADMM CC[C@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)Oc1cccc(F)c1 ZINC000820909449 606610719 /nfs/dbraw/zinc/61/07/19/606610719.db2.gz WOSATWPRXVVVTK-GFCCVEGCSA-N -1 1 392.416 1.537 20 0 GDADMM CC[C@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)Oc1cccc(F)c1 ZINC000820909449 606610720 /nfs/dbraw/zinc/61/07/20/606610720.db2.gz WOSATWPRXVVVTK-GFCCVEGCSA-N -1 1 392.416 1.537 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H](C)CO[C@@H]1CCOC1 ZINC000822535102 606625982 /nfs/dbraw/zinc/62/59/82/606625982.db2.gz GQAVADXCKQWUFH-DGCLKSJQSA-N -1 1 386.412 1.483 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H](C)CO[C@@H]1CCOC1 ZINC000822535102 606625984 /nfs/dbraw/zinc/62/59/84/606625984.db2.gz GQAVADXCKQWUFH-DGCLKSJQSA-N -1 1 386.412 1.483 20 0 GDADMM O=C(NCCNc1ccc(-c2ccccc2)nn1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823201909 606641608 /nfs/dbraw/zinc/64/16/08/606641608.db2.gz PCDZAZXYQSQDDW-UHFFFAOYSA-N -1 1 387.407 1.561 20 0 GDADMM O=C(NCCNc1ccc(-c2ccccc2)nn1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823201909 606641609 /nfs/dbraw/zinc/64/16/09/606641609.db2.gz PCDZAZXYQSQDDW-UHFFFAOYSA-N -1 1 387.407 1.561 20 0 GDADMM CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821020566 606648824 /nfs/dbraw/zinc/64/88/24/606648824.db2.gz FEWSJSLDGDGSEK-GFCCVEGCSA-N -1 1 376.417 1.998 20 0 GDADMM CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821020566 606648825 /nfs/dbraw/zinc/64/88/25/606648825.db2.gz FEWSJSLDGDGSEK-GFCCVEGCSA-N -1 1 376.417 1.998 20 0 GDADMM Cn1c2ccccc2n(CCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1=O ZINC000822596388 606649720 /nfs/dbraw/zinc/64/97/20/606649720.db2.gz JBRPXXJSAZIVGU-UHFFFAOYSA-N -1 1 379.380 1.049 20 0 GDADMM Cn1c2ccccc2n(CCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1=O ZINC000822596388 606649721 /nfs/dbraw/zinc/64/97/21/606649721.db2.gz JBRPXXJSAZIVGU-UHFFFAOYSA-N -1 1 379.380 1.049 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000823436533 606653827 /nfs/dbraw/zinc/65/38/27/606653827.db2.gz ZSDBTOAUFFDOGG-CQSZACIVSA-N -1 1 388.453 1.397 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000823436533 606653828 /nfs/dbraw/zinc/65/38/28/606653828.db2.gz ZSDBTOAUFFDOGG-CQSZACIVSA-N -1 1 388.453 1.397 20 0 GDADMM CC1(C)c2cc(S(=O)(=O)[N-]c3ccc(-c4nn[nH]n4)cc3)ccc2NC1=O ZINC000363635158 606706993 /nfs/dbraw/zinc/70/69/93/606706993.db2.gz SQZXAIJHRJPUTG-UHFFFAOYSA-N -1 1 384.421 1.897 20 0 GDADMM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1 ZINC000822227233 606764182 /nfs/dbraw/zinc/76/41/82/606764182.db2.gz AKFBKLNVBMUYFC-UHFFFAOYSA-N -1 1 377.357 1.813 20 0 GDADMM Cc1cccc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1 ZINC000822324316 606768711 /nfs/dbraw/zinc/76/87/11/606768711.db2.gz ZVNFXOFGOSLHTK-CYBMUJFWSA-N -1 1 379.428 1.708 20 0 GDADMM Cc1cccc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1 ZINC000822324316 606768712 /nfs/dbraw/zinc/76/87/12/606768712.db2.gz ZVNFXOFGOSLHTK-CYBMUJFWSA-N -1 1 379.428 1.708 20 0 GDADMM COc1c(F)cc(F)cc1NC(=O)NCCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000821698302 606772116 /nfs/dbraw/zinc/77/21/16/606772116.db2.gz DULQBFOXDJQLSY-UHFFFAOYSA-N -1 1 393.358 1.213 20 0 GDADMM COc1c(F)cc(F)cc1NC(=O)NCCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000821698302 606772117 /nfs/dbraw/zinc/77/21/17/606772117.db2.gz DULQBFOXDJQLSY-UHFFFAOYSA-N -1 1 393.358 1.213 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1ncc(C(C)(C)C)o1 ZINC000820804203 606780591 /nfs/dbraw/zinc/78/05/91/606780591.db2.gz NWWMTPVONKCLCF-LBPRGKRZSA-N -1 1 383.460 1.653 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1ncc(C(C)(C)C)o1 ZINC000820804203 606780592 /nfs/dbraw/zinc/78/05/92/606780592.db2.gz NWWMTPVONKCLCF-LBPRGKRZSA-N -1 1 383.460 1.653 20 0 GDADMM C[C@H](NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)c1ccccn1 ZINC000820348951 606789873 /nfs/dbraw/zinc/78/98/73/606789873.db2.gz GWSCDMJYJNROOO-STQMWFEESA-N -1 1 394.443 1.033 20 0 GDADMM C[C@H](NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)c1ccccn1 ZINC000820348951 606789875 /nfs/dbraw/zinc/78/98/75/606789875.db2.gz GWSCDMJYJNROOO-STQMWFEESA-N -1 1 394.443 1.033 20 0 GDADMM CC[C@@H](C)Oc1cc(C)ccc1CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820876751 606800819 /nfs/dbraw/zinc/80/08/19/606800819.db2.gz UFHSAHWJDBPMBC-GFCCVEGCSA-N -1 1 399.455 1.362 20 0 GDADMM C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000820733866 606805501 /nfs/dbraw/zinc/80/55/01/606805501.db2.gz JPGCWMSBOSDBPL-BXUZGUMPSA-N -1 1 378.440 1.869 20 0 GDADMM C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000820733866 606805502 /nfs/dbraw/zinc/80/55/02/606805502.db2.gz JPGCWMSBOSDBPL-BXUZGUMPSA-N -1 1 378.440 1.869 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1nccc(C(F)(F)F)n1 ZINC000820804495 606807357 /nfs/dbraw/zinc/80/73/57/606807357.db2.gz TUWDUZPRIPZHRK-VIFPVBQESA-N -1 1 392.349 1.181 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1nccc(C(F)(F)F)n1 ZINC000820804495 606807358 /nfs/dbraw/zinc/80/73/58/606807358.db2.gz TUWDUZPRIPZHRK-VIFPVBQESA-N -1 1 392.349 1.181 20 0 GDADMM Cc1ccc(CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cc1 ZINC000822233552 606820727 /nfs/dbraw/zinc/82/07/27/606820727.db2.gz RFUQGBFSAAJNAM-AWEZNQCLSA-N -1 1 378.440 1.245 20 0 GDADMM Cc1ccc(CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cc1 ZINC000822233552 606820729 /nfs/dbraw/zinc/82/07/29/606820729.db2.gz RFUQGBFSAAJNAM-AWEZNQCLSA-N -1 1 378.440 1.245 20 0 GDADMM Cc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cc1Cl ZINC000822226583 606820844 /nfs/dbraw/zinc/82/08/44/606820844.db2.gz ZEZUHYVPRKLCKG-GFCCVEGCSA-N -1 1 398.858 1.969 20 0 GDADMM Cc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cc1Cl ZINC000822226583 606820845 /nfs/dbraw/zinc/82/08/45/606820845.db2.gz ZEZUHYVPRKLCKG-GFCCVEGCSA-N -1 1 398.858 1.969 20 0 GDADMM Cc1ccccc1OCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000822366588 606822594 /nfs/dbraw/zinc/82/25/94/606822594.db2.gz OAFCHXMFWPXMPO-CQSZACIVSA-N -1 1 394.439 1.081 20 0 GDADMM Cc1ccccc1OCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000822366588 606822595 /nfs/dbraw/zinc/82/25/95/606822595.db2.gz OAFCHXMFWPXMPO-CQSZACIVSA-N -1 1 394.439 1.081 20 0 GDADMM Cc1nc(C)c(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)s1 ZINC000822427275 606824368 /nfs/dbraw/zinc/82/43/68/606824368.db2.gz HUDPEOJMTILZRV-VIFPVBQESA-N -1 1 385.457 1.081 20 0 GDADMM Cc1nc(C)c(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)s1 ZINC000822427275 606824370 /nfs/dbraw/zinc/82/43/70/606824370.db2.gz HUDPEOJMTILZRV-VIFPVBQESA-N -1 1 385.457 1.081 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000820778461 606825102 /nfs/dbraw/zinc/82/51/02/606825102.db2.gz XAOUFQQKXXNDPO-VNQPRFMTSA-N -1 1 396.499 1.910 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000820778461 606825103 /nfs/dbraw/zinc/82/51/03/606825103.db2.gz XAOUFQQKXXNDPO-VNQPRFMTSA-N -1 1 396.499 1.910 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)/C=C\C1CCCCC1 ZINC000820777289 606829957 /nfs/dbraw/zinc/82/99/57/606829957.db2.gz QRIZHHGOIKXISU-WBTMPAOCSA-N -1 1 382.472 1.830 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)/C=C\C1CCCCC1 ZINC000820777289 606829958 /nfs/dbraw/zinc/82/99/58/606829958.db2.gz QRIZHHGOIKXISU-WBTMPAOCSA-N -1 1 382.472 1.830 20 0 GDADMM CCCCC[C@H](O)CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821050799 606830589 /nfs/dbraw/zinc/83/05/89/606830589.db2.gz UNQJGCJMPXFEMJ-KGLIPLIRSA-N -1 1 388.476 1.025 20 0 GDADMM CCCCC[C@H](O)CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821050799 606830590 /nfs/dbraw/zinc/83/05/90/606830590.db2.gz UNQJGCJMPXFEMJ-KGLIPLIRSA-N -1 1 388.476 1.025 20 0 GDADMM C[C@@H]1CCC[C@@H](CNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)C1 ZINC000820696770 606832544 /nfs/dbraw/zinc/83/25/44/606832544.db2.gz CDYFGQVCWXWYGK-RBSFLKMASA-N -1 1 399.503 1.703 20 0 GDADMM C[C@@H]1CCC[C@@H](CNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)C1 ZINC000820696770 606832545 /nfs/dbraw/zinc/83/25/45/606832545.db2.gz CDYFGQVCWXWYGK-RBSFLKMASA-N -1 1 399.503 1.703 20 0 GDADMM CCOCCN1C(=O)N[C@H](c2ccc(-c3nn[n-]n3)s2)C(C(=O)OC)=C1C ZINC000821378156 606849928 /nfs/dbraw/zinc/84/99/28/606849928.db2.gz KCAYZCSISHWMMD-CYBMUJFWSA-N -1 1 392.441 1.478 20 0 GDADMM Cc1nn(C)c(Cl)c1CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000822497226 606853562 /nfs/dbraw/zinc/85/35/62/606853562.db2.gz YUXBGRGVVZJHBF-SNVBAGLBSA-N -1 1 388.867 1.063 20 0 GDADMM Cc1nn(C)c(Cl)c1CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000822497226 606853564 /nfs/dbraw/zinc/85/35/64/606853564.db2.gz YUXBGRGVVZJHBF-SNVBAGLBSA-N -1 1 388.867 1.063 20 0 GDADMM O=C([O-])c1ccc(NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)c(F)c1 ZINC000823387580 606866637 /nfs/dbraw/zinc/86/66/37/606866637.db2.gz PPOCXMYREPJHFS-UHFFFAOYSA-N -1 1 399.310 1.783 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@H](C)C(=O)OC(C)(C)C)cc1-c1nn[n-]n1 ZINC000737185657 606967523 /nfs/dbraw/zinc/96/75/23/606967523.db2.gz AQZMAMWPANBOHX-SSDOTTSWSA-N -1 1 380.430 1.149 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000823600628 607006957 /nfs/dbraw/zinc/00/69/57/607006957.db2.gz JGSWVCFPNKZCRA-MEDUHNTESA-N -1 1 397.888 1.836 20 0 GDADMM Nn1c(Sc2c3ccccc3nnc2-c2nn[n-]n2)nnc1-c1ccco1 ZINC000822912038 607028197 /nfs/dbraw/zinc/02/81/97/607028197.db2.gz JWUYROPTCDXDGL-UHFFFAOYSA-N -1 1 378.381 1.526 20 0 GDADMM CCNc1ccc(-c2nn[nH]n2)cc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000821308824 607032700 /nfs/dbraw/zinc/03/27/00/607032700.db2.gz FRHUXCJLFRWFRR-UHFFFAOYSA-N -1 1 399.436 1.594 20 0 GDADMM CC(C)c1cnc(CN(C)[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)C2)o1 ZINC000820197535 607046950 /nfs/dbraw/zinc/04/69/50/607046950.db2.gz LEOYMEUNRULDAY-CQSZACIVSA-N -1 1 396.455 1.720 20 0 GDADMM CC(C)c1cnc(CN(C)[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)C2)o1 ZINC000820197535 607046951 /nfs/dbraw/zinc/04/69/51/607046951.db2.gz LEOYMEUNRULDAY-CQSZACIVSA-N -1 1 396.455 1.720 20 0 GDADMM CC(C)(C)OC1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000819946429 607048978 /nfs/dbraw/zinc/04/89/78/607048978.db2.gz KDPBJQCLXIWPMQ-UHFFFAOYSA-N -1 1 383.449 1.974 20 0 GDADMM CC(C)(C)OC1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000819946429 607048980 /nfs/dbraw/zinc/04/89/80/607048980.db2.gz KDPBJQCLXIWPMQ-UHFFFAOYSA-N -1 1 383.449 1.974 20 0 GDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000823380088 607110801 /nfs/dbraw/zinc/11/08/01/607110801.db2.gz PTKXJOVWTLIPLG-JTQLQIEISA-N -1 1 390.473 1.626 20 0 GDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000823380088 607110803 /nfs/dbraw/zinc/11/08/03/607110803.db2.gz PTKXJOVWTLIPLG-JTQLQIEISA-N -1 1 390.473 1.626 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(C)[C@@H](C)C(=O)OC(C)C ZINC000822006228 607137583 /nfs/dbraw/zinc/13/75/83/607137583.db2.gz ZEKVMQOHOQZVNM-LBPRGKRZSA-N -1 1 390.444 1.315 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N(C)[C@H](C)C(=O)OC(C)C)cc1-c1nn[n-]n1 ZINC000821970996 607143893 /nfs/dbraw/zinc/14/38/93/607143893.db2.gz VFENIHVZVPQNTB-MRVPVSSYSA-N -1 1 380.430 1.101 20 0 GDADMM CCOc1ccccc1NC(=O)CCn1nc(C)c(C)c(-c2nn[n-]n2)c1=O ZINC000821437748 607161027 /nfs/dbraw/zinc/16/10/27/607161027.db2.gz RMHZLSXAKUKDNQ-UHFFFAOYSA-N -1 1 383.412 1.468 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(-c2ncc3n2CCCC3)cc1 ZINC000823131201 607208299 /nfs/dbraw/zinc/20/82/99/607208299.db2.gz CXDRDAWLWHYOIG-UHFFFAOYSA-N -1 1 390.411 1.297 20 0 GDADMM Cn1c2ccccc2nc1[C@H]1CCCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822595603 607209940 /nfs/dbraw/zinc/20/99/40/607209940.db2.gz ADINVXVFGOHIFV-CQSZACIVSA-N -1 1 392.427 1.099 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCC1(c2cccc(F)c2)CCCCC1 ZINC000823127084 607210583 /nfs/dbraw/zinc/21/05/83/607210583.db2.gz SDEVXHCZMPLLLJ-UHFFFAOYSA-N -1 1 384.419 1.616 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCSCc1cccc2ccccc21 ZINC000823131575 607211112 /nfs/dbraw/zinc/21/11/12/607211112.db2.gz KFBUHDFCFDHCSJ-UHFFFAOYSA-N -1 1 394.464 1.661 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1ccc(Br)cc1Cl ZINC000823131286 607211771 /nfs/dbraw/zinc/21/17/71/607211771.db2.gz FBRRVKWBSFGOEC-UHFFFAOYSA-N -1 1 397.624 1.191 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(OCc2ccccc2F)cc1 ZINC000823136319 607212267 /nfs/dbraw/zinc/21/22/67/607212267.db2.gz VOVFDQDWKRSVKC-UHFFFAOYSA-N -1 1 394.370 1.815 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000823123420 607214729 /nfs/dbraw/zinc/21/47/29/607214729.db2.gz YTZPOUYSLSEQFX-UHFFFAOYSA-N -1 1 388.382 1.708 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000823127061 607215628 /nfs/dbraw/zinc/21/56/28/607215628.db2.gz RNSYSJVEBWJBND-OAHLLOKOSA-N -1 1 377.412 1.693 20 0 GDADMM CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820333810 607217835 /nfs/dbraw/zinc/21/78/35/607217835.db2.gz GQZRNXNIGBGKMD-LLVKDONJSA-N -1 1 380.416 1.266 20 0 GDADMM Cc1cccc(C)c1OC[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)C(C)(C)C ZINC000822294137 607223247 /nfs/dbraw/zinc/22/32/47/607223247.db2.gz SFMNJILLPPCYMC-CQSZACIVSA-N -1 1 398.471 1.685 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H](C)Cc1cccc(O)c1 ZINC000822004745 607229853 /nfs/dbraw/zinc/22/98/53/607229853.db2.gz KHVPNHKPOBBREL-NSHDSACASA-N -1 1 396.451 1.970 20 0 GDADMM CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000825203110 607802417 /nfs/dbraw/zinc/80/24/17/607802417.db2.gz MJGCHYITVLZHIZ-NEPJUHHUSA-N -1 1 376.486 1.941 20 0 GDADMM CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000825203110 607802418 /nfs/dbraw/zinc/80/24/18/607802418.db2.gz MJGCHYITVLZHIZ-NEPJUHHUSA-N -1 1 376.486 1.941 20 0 GDADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCN2C(N)=O ZINC000826279988 607809581 /nfs/dbraw/zinc/80/95/81/607809581.db2.gz KEXIBUIALZXZRJ-UHFFFAOYSA-N -1 1 399.436 1.417 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000826232609 607825091 /nfs/dbraw/zinc/82/50/91/607825091.db2.gz ABJOGEFQOXLZQH-XYPHTWIQSA-N -1 1 398.467 1.591 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCOCc2ccc(Cl)cc2)n1 ZINC000826357150 607835322 /nfs/dbraw/zinc/83/53/22/607835322.db2.gz SZYKHCSQVVBASZ-UHFFFAOYSA-N -1 1 376.808 1.592 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCOCc2ccc(Cl)cc2)n1 ZINC000826357150 607835323 /nfs/dbraw/zinc/83/53/23/607835323.db2.gz SZYKHCSQVVBASZ-UHFFFAOYSA-N -1 1 376.808 1.592 20 0 GDADMM Cc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)cc1C(N)=O ZINC000826292862 607868289 /nfs/dbraw/zinc/86/82/89/607868289.db2.gz PFGVYFCNPOSNMY-UHFFFAOYSA-N -1 1 377.357 1.181 20 0 GDADMM Cc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)cc1C(N)=O ZINC000826292862 607868290 /nfs/dbraw/zinc/86/82/90/607868290.db2.gz PFGVYFCNPOSNMY-UHFFFAOYSA-N -1 1 377.357 1.181 20 0 GDADMM CC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c2ccccc21 ZINC000823973542 607938594 /nfs/dbraw/zinc/93/85/94/607938594.db2.gz KLIUTSAZMWPRMQ-AWEZNQCLSA-N -1 1 399.436 1.038 20 0 GDADMM CC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c2ccccc21 ZINC000823973542 607938595 /nfs/dbraw/zinc/93/85/95/607938595.db2.gz KLIUTSAZMWPRMQ-AWEZNQCLSA-N -1 1 399.436 1.038 20 0 GDADMM C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000824520744 607997882 /nfs/dbraw/zinc/99/78/82/607997882.db2.gz CWZULQFCFAXTAP-SECBINFHSA-N -1 1 386.799 1.983 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc(N2CCC(O)CC2)cc1 ZINC000826451064 607999784 /nfs/dbraw/zinc/99/97/84/607999784.db2.gz OFSKHSVJFSTMOZ-UHFFFAOYSA-N -1 1 380.408 1.786 20 0 GDADMM Cc1nc(COc2cccc(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)c2)no1 ZINC000826326400 608006054 /nfs/dbraw/zinc/00/60/54/608006054.db2.gz NVEWJQWHCYZNME-UHFFFAOYSA-N -1 1 381.356 1.123 20 0 GDADMM Cc1nc(COc2cccc(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)c2)no1 ZINC000826326400 608006055 /nfs/dbraw/zinc/00/60/55/608006055.db2.gz NVEWJQWHCYZNME-UHFFFAOYSA-N -1 1 381.356 1.123 20 0 GDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000826395117 608011764 /nfs/dbraw/zinc/01/17/64/608011764.db2.gz NOAIYKAFDUIPIV-SECBINFHSA-N -1 1 376.174 1.224 20 0 GDADMM COC(=O)c1ncsc1S(=O)(=O)N[C@@H](C(=O)[O-])c1ccccc1Cl ZINC000530424606 649973324 /nfs/dbraw/zinc/97/33/24/649973324.db2.gz QQDDHHKVRGZPJZ-SECBINFHSA-N -1 1 390.826 1.687 20 0 GDADMM CCCC[C@@H](OC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)C(=O)OC ZINC000825268015 608103096 /nfs/dbraw/zinc/10/30/96/608103096.db2.gz QEDLOVFNPFMEDH-CYBMUJFWSA-N -1 1 391.428 1.792 20 0 GDADMM CC1([C@@H]2CCCN(S(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)C2)OCCO1 ZINC000824819160 608126445 /nfs/dbraw/zinc/12/64/45/608126445.db2.gz YBWFBMKMPMDKNB-LLVKDONJSA-N -1 1 397.432 1.170 20 0 GDADMM CC1([C@@H]2CCCN(S(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)C2)OCCO1 ZINC000824819160 608126446 /nfs/dbraw/zinc/12/64/46/608126446.db2.gz YBWFBMKMPMDKNB-LLVKDONJSA-N -1 1 397.432 1.170 20 0 GDADMM O=C(CN(C[C@H]1CCCO1)c1snc(Cl)c1-c1nnn[n-]1)N1CCCC1 ZINC000826409660 608193168 /nfs/dbraw/zinc/19/31/68/608193168.db2.gz JPRKUPURXAQOLI-SNVBAGLBSA-N -1 1 397.892 1.584 20 0 GDADMM O=C(CN(C[C@H]1CCCO1)c1snc(Cl)c1-c1nn[n-]n1)N1CCCC1 ZINC000826409660 608193169 /nfs/dbraw/zinc/19/31/69/608193169.db2.gz JPRKUPURXAQOLI-SNVBAGLBSA-N -1 1 397.892 1.584 20 0 GDADMM COc1ccccc1C(C)=CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826219342 608212022 /nfs/dbraw/zinc/21/20/22/608212022.db2.gz ZAUSOLMUDLCQRB-VAWYXSNFSA-N -1 1 396.455 1.675 20 0 GDADMM COc1ccccc1C(C)=CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826219342 608212025 /nfs/dbraw/zinc/21/20/25/608212025.db2.gz ZAUSOLMUDLCQRB-VAWYXSNFSA-N -1 1 396.455 1.675 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccc2ncccc2c1 ZINC000825934303 608212753 /nfs/dbraw/zinc/21/27/53/608212753.db2.gz MAXANNHJVDYVHP-UHFFFAOYSA-N -1 1 377.412 1.425 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccc2ncccc2c1 ZINC000825934303 608212755 /nfs/dbraw/zinc/21/27/55/608212755.db2.gz MAXANNHJVDYVHP-UHFFFAOYSA-N -1 1 377.412 1.425 20 0 GDADMM NC(=O)c1cc(OC2CCN(C(=O)c3ccc(-c4nnn[n-]4)s3)CC2)ccn1 ZINC000826392878 608277434 /nfs/dbraw/zinc/27/74/34/608277434.db2.gz QOOGLRXVBAQRAP-UHFFFAOYSA-N -1 1 399.436 1.106 20 0 GDADMM NC(=O)c1cc(OC2CCN(C(=O)c3ccc(-c4nn[n-]n4)s3)CC2)ccn1 ZINC000826392878 608277435 /nfs/dbraw/zinc/27/74/35/608277435.db2.gz QOOGLRXVBAQRAP-UHFFFAOYSA-N -1 1 399.436 1.106 20 0 GDADMM COC(=O)[C@@]1(F)CCN(Cc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)C1 ZINC000826124958 608314427 /nfs/dbraw/zinc/31/44/27/608314427.db2.gz YXRZQONLEOKUNW-GOSISDBHSA-N -1 1 385.403 1.448 20 0 GDADMM CCOC(=O)[C@H]1CN(Cc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)CCO1 ZINC000825499160 608314459 /nfs/dbraw/zinc/31/44/59/608314459.db2.gz HQFHQAHEOPGBIA-MRXNPFEDSA-N -1 1 397.439 1.125 20 0 GDADMM Cc1scc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1C ZINC000826350410 608315960 /nfs/dbraw/zinc/31/59/60/608315960.db2.gz VDIWRLLYRICNFO-JTQLQIEISA-N -1 1 384.469 1.686 20 0 GDADMM Cc1scc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1C ZINC000826350410 608315962 /nfs/dbraw/zinc/31/59/62/608315962.db2.gz VDIWRLLYRICNFO-JTQLQIEISA-N -1 1 384.469 1.686 20 0 GDADMM CCN(Cc1ccccc1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825434837 608340126 /nfs/dbraw/zinc/34/01/26/608340126.db2.gz GYIBRBCDGWUOKN-UHFFFAOYSA-N -1 1 396.455 1.805 20 0 GDADMM CCN(Cc1ccccc1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825434837 608340128 /nfs/dbraw/zinc/34/01/28/608340128.db2.gz GYIBRBCDGWUOKN-UHFFFAOYSA-N -1 1 396.455 1.805 20 0 GDADMM Cc1ccccc1CN(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826306998 608340799 /nfs/dbraw/zinc/34/07/99/608340799.db2.gz SHGYIMRKPFXMKK-UHFFFAOYSA-N -1 1 396.455 1.724 20 0 GDADMM Cc1ccccc1CN(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826306998 608340801 /nfs/dbraw/zinc/34/08/01/608340801.db2.gz SHGYIMRKPFXMKK-UHFFFAOYSA-N -1 1 396.455 1.724 20 0 GDADMM CC[C@H]1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CC1 ZINC000825194368 608353535 /nfs/dbraw/zinc/35/35/35/608353535.db2.gz PXWDCUFTQZGMBV-LBPRGKRZSA-N -1 1 388.476 1.795 20 0 GDADMM CC[C@H]1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CC1 ZINC000825194368 608353537 /nfs/dbraw/zinc/35/35/37/608353537.db2.gz PXWDCUFTQZGMBV-LBPRGKRZSA-N -1 1 388.476 1.795 20 0 GDADMM CC[C@@H](C)C[C@@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825060543 608354567 /nfs/dbraw/zinc/35/45/67/608354567.db2.gz QNVJXIMMIQIKDW-GHMZBOCLSA-N -1 1 376.465 1.698 20 0 GDADMM CC[C@@H](C)C[C@@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825060543 608354568 /nfs/dbraw/zinc/35/45/68/608354568.db2.gz QNVJXIMMIQIKDW-GHMZBOCLSA-N -1 1 376.465 1.698 20 0 GDADMM CCC[C@@H]1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000825252841 608356593 /nfs/dbraw/zinc/35/65/93/608356593.db2.gz KQWLITDTTRBDQU-GFCCVEGCSA-N -1 1 388.476 1.795 20 0 GDADMM CCC[C@@H]1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000825252841 608356595 /nfs/dbraw/zinc/35/65/95/608356595.db2.gz KQWLITDTTRBDQU-GFCCVEGCSA-N -1 1 388.476 1.795 20 0 GDADMM CCCn1cc(NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)cn1 ZINC000825362546 608358398 /nfs/dbraw/zinc/35/83/98/608358398.db2.gz OGQKKRZQXPACRD-UHFFFAOYSA-N -1 1 386.420 1.002 20 0 GDADMM CCCn1cc(NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)cn1 ZINC000825362546 608358400 /nfs/dbraw/zinc/35/84/00/608358400.db2.gz OGQKKRZQXPACRD-UHFFFAOYSA-N -1 1 386.420 1.002 20 0 GDADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000826004429 608414347 /nfs/dbraw/zinc/41/43/47/608414347.db2.gz XKOSLBBVPXILSP-LBPRGKRZSA-N -1 1 382.432 1.018 20 0 GDADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000826004429 608414349 /nfs/dbraw/zinc/41/43/49/608414349.db2.gz XKOSLBBVPXILSP-LBPRGKRZSA-N -1 1 382.432 1.018 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1cc(Cl)nc(C2CC2)n1 ZINC000825001281 608431539 /nfs/dbraw/zinc/43/15/39/608431539.db2.gz YOFLOTCOZNSMBK-JTQLQIEISA-N -1 1 398.862 1.693 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1cc(Cl)nc(C2CC2)n1 ZINC000825001281 608431540 /nfs/dbraw/zinc/43/15/40/608431540.db2.gz YOFLOTCOZNSMBK-JTQLQIEISA-N -1 1 398.862 1.693 20 0 GDADMM O=S(=O)(NCc1cn2ccsc2n1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826491865 608445513 /nfs/dbraw/zinc/44/55/13/608445513.db2.gz HFEFLKBYCPQTDI-UHFFFAOYSA-N -1 1 379.402 1.194 20 0 GDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000826280488 608542319 /nfs/dbraw/zinc/54/23/19/608542319.db2.gz DCKBKIWMFTYVEB-OAHLLOKOSA-N -1 1 384.488 1.093 20 0 GDADMM C[C@H](OCc1ccccc1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824731331 608556332 /nfs/dbraw/zinc/55/63/32/608556332.db2.gz UMQKFXHXVNLBKP-LBPRGKRZSA-N -1 1 384.444 1.168 20 0 GDADMM C[C@H](OCc1ccccc1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824731331 608556334 /nfs/dbraw/zinc/55/63/34/608556334.db2.gz UMQKFXHXVNLBKP-LBPRGKRZSA-N -1 1 384.444 1.168 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccc(C(F)F)cc1 ZINC000825934341 608556574 /nfs/dbraw/zinc/55/65/74/608556574.db2.gz NNSSMQBAMKHYAG-UHFFFAOYSA-N -1 1 376.371 1.814 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccc(C(F)F)cc1 ZINC000825934341 608556575 /nfs/dbraw/zinc/55/65/75/608556575.db2.gz NNSSMQBAMKHYAG-UHFFFAOYSA-N -1 1 376.371 1.814 20 0 GDADMM CN(C)c1ccc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c(F)c1 ZINC000825933448 608558135 /nfs/dbraw/zinc/55/81/35/608558135.db2.gz DXAXGHDCVUWDHJ-UHFFFAOYSA-N -1 1 387.423 1.082 20 0 GDADMM CN(C)c1ccc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c(F)c1 ZINC000825933448 608558137 /nfs/dbraw/zinc/55/81/37/608558137.db2.gz DXAXGHDCVUWDHJ-UHFFFAOYSA-N -1 1 387.423 1.082 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@H]1C[C@@H]1Cc1ccccc1 ZINC000825923438 608559451 /nfs/dbraw/zinc/55/94/51/608559451.db2.gz HUYVKLXSLBVQDC-KBPBESRZSA-N -1 1 380.456 1.442 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@H]1C[C@@H]1Cc1ccccc1 ZINC000825923438 608559453 /nfs/dbraw/zinc/55/94/53/608559453.db2.gz HUYVKLXSLBVQDC-KBPBESRZSA-N -1 1 380.456 1.442 20 0 GDADMM COC(=O)[C@H]1CCCC[C@]1(C)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826132398 608588895 /nfs/dbraw/zinc/58/88/95/608588895.db2.gz DUTMZAXZPRQJNN-WBMJQRKESA-N -1 1 397.432 1.406 20 0 GDADMM CCOc1cccc(CN2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)n1 ZINC000825649265 608589308 /nfs/dbraw/zinc/58/93/08/608589308.db2.gz NITAVIFHPRQYFK-UHFFFAOYSA-N -1 1 396.455 1.848 20 0 GDADMM COc1cccc(CC(=O)N2CCN(Cc3ccc(-c4nnn[n-]4)o3)CC2)c1 ZINC000826215613 608635507 /nfs/dbraw/zinc/63/55/07/608635507.db2.gz UPOPVHOIURIZJV-UHFFFAOYSA-N -1 1 382.424 1.355 20 0 GDADMM COc1cccc(CC(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)o3)CC2)c1 ZINC000826215613 608635509 /nfs/dbraw/zinc/63/55/09/608635509.db2.gz UPOPVHOIURIZJV-UHFFFAOYSA-N -1 1 382.424 1.355 20 0 GDADMM COc1ccccc1NC(=O)CN1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000826220273 608741352 /nfs/dbraw/zinc/74/13/52/608741352.db2.gz IHNNAMKQHSEDGI-UHFFFAOYSA-N -1 1 397.439 1.225 20 0 GDADMM COc1ccccc1NC(=O)CN1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000826220273 608741354 /nfs/dbraw/zinc/74/13/54/608741354.db2.gz IHNNAMKQHSEDGI-UHFFFAOYSA-N -1 1 397.439 1.225 20 0 GDADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(=O)OC)c(F)c1 ZINC000530538337 649978267 /nfs/dbraw/zinc/97/82/67/649978267.db2.gz AKEMKAYKGRXHSX-VIFPVBQESA-N -1 1 387.307 1.385 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1nn(C)c2ccccc12 ZINC000825000794 608840080 /nfs/dbraw/zinc/84/00/80/608840080.db2.gz VCFNTRCVRXUPAZ-CYBMUJFWSA-N -1 1 390.455 1.254 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1nn(C)c2ccccc12 ZINC000825000794 608840081 /nfs/dbraw/zinc/84/00/81/608840081.db2.gz VCFNTRCVRXUPAZ-CYBMUJFWSA-N -1 1 390.455 1.254 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@]1(C)CCCO ZINC000826233188 608863599 /nfs/dbraw/zinc/86/35/99/608863599.db2.gz WZIGLCXRCIHNDF-LJQANCHMSA-N -1 1 388.472 1.670 20 0 GDADMM O=C(Cn1ccnc1-c1nnn[n-]1)NCCc1ccc(OC(F)(F)F)cc1 ZINC000826424846 608890474 /nfs/dbraw/zinc/89/04/74/608890474.db2.gz GKKMJCZSQVRPMM-UHFFFAOYSA-N -1 1 381.318 1.321 20 0 GDADMM O=C(Cn1ccnc1-c1nn[n-]n1)NCCc1ccc(OC(F)(F)F)cc1 ZINC000826424846 608890477 /nfs/dbraw/zinc/89/04/77/608890477.db2.gz GKKMJCZSQVRPMM-UHFFFAOYSA-N -1 1 381.318 1.321 20 0 GDADMM CCOC(=O)c1c2c(sc1NC(=O)Cn1ccnc1-c1nnn[n-]1)CCC2 ZINC000825559548 608891865 /nfs/dbraw/zinc/89/18/65/608891865.db2.gz HFOAWLVYUPOEJL-UHFFFAOYSA-N -1 1 387.425 1.429 20 0 GDADMM CCOC(=O)c1c2c(sc1NC(=O)Cn1ccnc1-c1nn[n-]n1)CCC2 ZINC000825559548 608891869 /nfs/dbraw/zinc/89/18/69/608891869.db2.gz HFOAWLVYUPOEJL-UHFFFAOYSA-N -1 1 387.425 1.429 20 0 GDADMM CC(C)[C@@H](NC(=O)Cn1ccnc1-c1nnn[n-]1)c1ccc2c(c1)OCCO2 ZINC000824191039 608893635 /nfs/dbraw/zinc/89/36/35/608893635.db2.gz CJBQGWQCTIDJOX-MRXNPFEDSA-N -1 1 383.412 1.348 20 0 GDADMM CC(C)[C@@H](NC(=O)Cn1ccnc1-c1nn[n-]n1)c1ccc2c(c1)OCCO2 ZINC000824191039 608893636 /nfs/dbraw/zinc/89/36/36/608893636.db2.gz CJBQGWQCTIDJOX-MRXNPFEDSA-N -1 1 383.412 1.348 20 0 GDADMM CC(=O)c1ccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1C ZINC000824024832 609161160 /nfs/dbraw/zinc/16/11/60/609161160.db2.gz QTOSEUARZKVFEC-UHFFFAOYSA-N -1 1 397.443 1.780 20 0 GDADMM CC(=O)c1ccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1C ZINC000824024832 609161161 /nfs/dbraw/zinc/16/11/61/609161161.db2.gz QTOSEUARZKVFEC-UHFFFAOYSA-N -1 1 397.443 1.780 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@@H]1C1CCOCC1 ZINC000826495167 609182734 /nfs/dbraw/zinc/18/27/34/609182734.db2.gz FKJXDDSFPSMVTI-CQSZACIVSA-N -1 1 381.433 1.586 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cc(NCc3ccccc3)ccn2)n1 ZINC000826357342 609234818 /nfs/dbraw/zinc/23/48/18/609234818.db2.gz BFFZNUCYCQPYEE-UHFFFAOYSA-N -1 1 375.396 1.282 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cc(NCc3ccccc3)ccn2)n1 ZINC000826357342 609234819 /nfs/dbraw/zinc/23/48/19/609234819.db2.gz BFFZNUCYCQPYEE-UHFFFAOYSA-N -1 1 375.396 1.282 20 0 GDADMM CC(=O)N1CCCC[C@H]1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000823982179 609286435 /nfs/dbraw/zinc/28/64/35/609286435.db2.gz WIDRJCBYKVVNDJ-AWEZNQCLSA-N -1 1 398.402 1.531 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H](C)c1cncc(F)c1 ZINC000826233196 609286832 /nfs/dbraw/zinc/28/68/32/609286832.db2.gz XJWYTSJAHOOZBY-SNVBAGLBSA-N -1 1 385.403 1.928 20 0 GDADMM O=C(CN1CCSC1=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826411474 609293127 /nfs/dbraw/zinc/29/31/27/609293127.db2.gz ZSWUUZDGRRRONN-UHFFFAOYSA-N -1 1 388.388 1.299 20 0 GDADMM C[C@@H]1CCC[C@H](CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1 ZINC000824926644 609300504 /nfs/dbraw/zinc/30/05/04/609300504.db2.gz KOJSMMKAUHHVAZ-NEPJUHHUSA-N -1 1 375.481 1.572 20 0 GDADMM C[C@@H]1CCC[C@H](CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C1 ZINC000824926644 609300506 /nfs/dbraw/zinc/30/05/06/609300506.db2.gz KOJSMMKAUHHVAZ-NEPJUHHUSA-N -1 1 375.481 1.572 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000825929273 609300975 /nfs/dbraw/zinc/30/09/75/609300975.db2.gz DYRZEBSPPAIYQQ-OCCSQVGLSA-N -1 1 399.434 1.441 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000825929273 609300977 /nfs/dbraw/zinc/30/09/77/609300977.db2.gz DYRZEBSPPAIYQQ-OCCSQVGLSA-N -1 1 399.434 1.441 20 0 GDADMM C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825015108 609302294 /nfs/dbraw/zinc/30/22/94/609302294.db2.gz ZVZFRCKYHNALAH-BDJLRTHQSA-N -1 1 395.471 1.680 20 0 GDADMM C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825015108 609302295 /nfs/dbraw/zinc/30/22/95/609302295.db2.gz ZVZFRCKYHNALAH-BDJLRTHQSA-N -1 1 395.471 1.680 20 0 GDADMM CC[C@@H](Cc1ccccc1)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825125633 609302413 /nfs/dbraw/zinc/30/24/13/609302413.db2.gz FGZQJTGNSYCYKI-AWEZNQCLSA-N -1 1 397.487 1.767 20 0 GDADMM CC[C@@H](Cc1ccccc1)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825125633 609302416 /nfs/dbraw/zinc/30/24/16/609302416.db2.gz FGZQJTGNSYCYKI-AWEZNQCLSA-N -1 1 397.487 1.767 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@H]1CCc2c1cccc2O ZINC000825929128 609303746 /nfs/dbraw/zinc/30/37/46/609303746.db2.gz BCFYADFXZNDCOL-LBPRGKRZSA-N -1 1 397.443 1.139 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@H]1CCc2c1cccc2O ZINC000825929128 609303748 /nfs/dbraw/zinc/30/37/48/609303748.db2.gz BCFYADFXZNDCOL-LBPRGKRZSA-N -1 1 397.443 1.139 20 0 GDADMM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824874562 609304169 /nfs/dbraw/zinc/30/41/69/609304169.db2.gz DVUQTUAVPHDDBB-RYUDHWBXSA-N -1 1 389.508 1.961 20 0 GDADMM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824874562 609304170 /nfs/dbraw/zinc/30/41/70/609304170.db2.gz DVUQTUAVPHDDBB-RYUDHWBXSA-N -1 1 389.508 1.961 20 0 GDADMM CS[C@H]1CC[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1 ZINC000826226779 609304718 /nfs/dbraw/zinc/30/47/18/609304718.db2.gz GEVQWERWISZVJY-ZJUUUORDSA-N -1 1 379.494 1.030 20 0 GDADMM CS[C@H]1CC[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C1 ZINC000826226779 609304720 /nfs/dbraw/zinc/30/47/20/609304720.db2.gz GEVQWERWISZVJY-ZJUUUORDSA-N -1 1 379.494 1.030 20 0 GDADMM CC(C)C1CCC(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CC1 ZINC000824216880 609309422 /nfs/dbraw/zinc/30/94/22/609309422.db2.gz WQWVOYYXFILOMP-UHFFFAOYSA-N -1 1 389.508 1.961 20 0 GDADMM CC(C)C1CCC(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CC1 ZINC000824216880 609309423 /nfs/dbraw/zinc/30/94/23/609309423.db2.gz WQWVOYYXFILOMP-UHFFFAOYSA-N -1 1 389.508 1.961 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000825929164 609309801 /nfs/dbraw/zinc/30/98/01/609309801.db2.gz CBCVGANQUKPGBT-SECBINFHSA-N -1 1 383.407 1.324 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000825929164 609309803 /nfs/dbraw/zinc/30/98/03/609309803.db2.gz CBCVGANQUKPGBT-SECBINFHSA-N -1 1 383.407 1.324 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1ccnc2[nH]cnc21 ZINC000826458819 609314252 /nfs/dbraw/zinc/31/42/52/609314252.db2.gz HMGCQDFWBUNJKX-UHFFFAOYSA-N -1 1 390.342 1.715 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC[C@H](OC(F)F)C1 ZINC000826495810 609319123 /nfs/dbraw/zinc/31/91/23/609319123.db2.gz CGWRZRBLZWUARH-QMMMGPOBSA-N -1 1 377.348 1.398 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC[C@H](OC(F)F)C1 ZINC000826495810 609319125 /nfs/dbraw/zinc/31/91/25/609319125.db2.gz CGWRZRBLZWUARH-QMMMGPOBSA-N -1 1 377.348 1.398 20 0 GDADMM CN(C[C@@H]1CCCC[C@H]1O)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825909148 609333432 /nfs/dbraw/zinc/33/34/32/609333432.db2.gz SFSLJRNPTJGQTF-CMPLNLGQSA-N -1 1 385.877 1.692 20 0 GDADMM CN(C[C@@H]1CCCC[C@H]1O)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825909148 609333434 /nfs/dbraw/zinc/33/34/34/609333434.db2.gz SFSLJRNPTJGQTF-CMPLNLGQSA-N -1 1 385.877 1.692 20 0 GDADMM C[C@H](C1CC1)N(C)C(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824377560 609352732 /nfs/dbraw/zinc/35/27/32/609352732.db2.gz HBMASDLZKREBMG-SNVBAGLBSA-N -1 1 398.402 1.387 20 0 GDADMM O=C(NCCOC1CCC1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826438542 609358668 /nfs/dbraw/zinc/35/86/68/609358668.db2.gz HGYKNMLLPGBMMW-UHFFFAOYSA-N -1 1 386.391 1.882 20 0 GDADMM C[C@@H](NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1cn[nH]c1 ZINC000824505917 609360891 /nfs/dbraw/zinc/36/08/91/609360891.db2.gz JWNMHHPLVMWIJD-SECBINFHSA-N -1 1 382.363 1.797 20 0 GDADMM O=C(C1CCCC1)N1CC(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)C1 ZINC000826398997 609369310 /nfs/dbraw/zinc/36/93/10/609369310.db2.gz JZUFEAKVSJEXNK-UHFFFAOYSA-N -1 1 395.416 1.115 20 0 GDADMM O=C(C1CCCC1)N1CC(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)C1 ZINC000826398997 609369312 /nfs/dbraw/zinc/36/93/12/609369312.db2.gz JZUFEAKVSJEXNK-UHFFFAOYSA-N -1 1 395.416 1.115 20 0 GDADMM CC(C)N(C)S(=O)(=O)[N-]c1ccn(-c2ccc(Cl)cc2-c2nn[nH]n2)n1 ZINC000824288477 609456523 /nfs/dbraw/zinc/45/65/23/609456523.db2.gz IDEQYUMGLGOTEX-UHFFFAOYSA-N -1 1 396.864 1.703 20 0 GDADMM CCCOc1ccc(C(=O)CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)cc1 ZINC000825339427 609468033 /nfs/dbraw/zinc/46/80/33/609468033.db2.gz ZSRBPXSJXWVMEC-UHFFFAOYSA-N -1 1 384.396 1.494 20 0 GDADMM CCCOc1ccc(C(=O)CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)cc1 ZINC000825339427 609468035 /nfs/dbraw/zinc/46/80/35/609468035.db2.gz ZSRBPXSJXWVMEC-UHFFFAOYSA-N -1 1 384.396 1.494 20 0 GDADMM COc1ccccc1OC[C@@H](C)CNC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000826220504 609468919 /nfs/dbraw/zinc/46/89/19/609468919.db2.gz PUZZLNMCMXGUQJ-NSHDSACASA-N -1 1 386.412 1.546 20 0 GDADMM COc1ccccc1OC[C@@H](C)CNC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000826220504 609468922 /nfs/dbraw/zinc/46/89/22/609468922.db2.gz PUZZLNMCMXGUQJ-NSHDSACASA-N -1 1 386.412 1.546 20 0 GDADMM COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)C1 ZINC000826098525 609470220 /nfs/dbraw/zinc/47/02/20/609470220.db2.gz HSUNBXWELPYANZ-LLVKDONJSA-N -1 1 376.417 1.143 20 0 GDADMM COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)C1 ZINC000826098525 609470222 /nfs/dbraw/zinc/47/02/22/609470222.db2.gz HSUNBXWELPYANZ-LLVKDONJSA-N -1 1 376.417 1.143 20 0 GDADMM Cc1onc(CC(=O)NC2CCC(C(=O)OC(C)(C)C)CC2)c1-c1nnn[n-]1 ZINC000826346362 609471071 /nfs/dbraw/zinc/47/10/71/609471071.db2.gz KVOTXFFPNBGBLF-UHFFFAOYSA-N -1 1 390.444 1.722 20 0 GDADMM Cc1onc(CC(=O)NC2CCC(C(=O)OC(C)(C)C)CC2)c1-c1nn[n-]n1 ZINC000826346362 609471074 /nfs/dbraw/zinc/47/10/74/609471074.db2.gz KVOTXFFPNBGBLF-UHFFFAOYSA-N -1 1 390.444 1.722 20 0 GDADMM COc1cccc2[nH]cc(CCNC(=O)Cc3noc(C)c3-c3nnn[n-]3)c21 ZINC000826217399 609472275 /nfs/dbraw/zinc/47/22/75/609472275.db2.gz KTTQGRFIIDETJY-UHFFFAOYSA-N -1 1 381.396 1.554 20 0 GDADMM COc1cccc2[nH]cc(CCNC(=O)Cc3noc(C)c3-c3nn[n-]n3)c21 ZINC000826217399 609472277 /nfs/dbraw/zinc/47/22/77/609472277.db2.gz KTTQGRFIIDETJY-UHFFFAOYSA-N -1 1 381.396 1.554 20 0 GDADMM Cc1cnc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c(C)c1 ZINC000826318157 609594131 /nfs/dbraw/zinc/59/41/31/609594131.db2.gz XLWBAKJYCOKASQ-CYBMUJFWSA-N -1 1 379.428 1.019 20 0 GDADMM Cc1cnc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c(C)c1 ZINC000826318157 609594132 /nfs/dbraw/zinc/59/41/32/609594132.db2.gz XLWBAKJYCOKASQ-CYBMUJFWSA-N -1 1 379.428 1.019 20 0 GDADMM Cc1nc(S(=O)(=O)[N-][C@@H](C)Cn2ncc3ccccc3c2=O)sc1C ZINC000535710236 650254058 /nfs/dbraw/zinc/25/40/58/650254058.db2.gz OLEWECWRWFAOAF-JTQLQIEISA-N -1 1 378.479 1.837 20 0 GDADMM CC[C@@H](CSC)N(C)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000536899886 650282929 /nfs/dbraw/zinc/28/29/29/650282929.db2.gz GJGDPEGVYLDYTC-NSHDSACASA-N -1 1 384.520 1.959 20 0 GDADMM COc1cc(NC(=O)C(=O)NC[C@@H]2CCCS2)ccc1[N-]S(C)(=O)=O ZINC000538104903 650305157 /nfs/dbraw/zinc/30/51/57/650305157.db2.gz VYRVTQMSAJZTAW-NSHDSACASA-N -1 1 387.483 1.017 20 0 GDADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc(S(N)(=O)=O)cn2)c1 ZINC000539525368 650336810 /nfs/dbraw/zinc/33/68/10/650336810.db2.gz NENIFBWARWNXBK-UHFFFAOYSA-N -1 1 386.227 1.758 20 0 GDADMM CCO[C@H](C)c1nc(CC(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])cs1 ZINC000539706686 650339206 /nfs/dbraw/zinc/33/92/06/650339206.db2.gz JEYDPBMYINABCE-SECBINFHSA-N -1 1 385.467 1.775 20 0 GDADMM COc1ccc(NC(=O)C(=O)NCc2cccs2)cc1[N-]S(C)(=O)=O ZINC000540271951 650354518 /nfs/dbraw/zinc/35/45/18/650354518.db2.gz ZEZNTDJBNRKHKO-UHFFFAOYSA-N -1 1 383.451 1.383 20 0 GDADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000542816605 650413441 /nfs/dbraw/zinc/41/34/41/650413441.db2.gz IGZJRZAEWWWFFZ-UHFFFAOYSA-N -1 1 385.829 1.647 20 0 GDADMM CN(C)C(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)[O-])cn1C ZINC000543656991 650425773 /nfs/dbraw/zinc/42/57/73/650425773.db2.gz GUBBJTLRYDWADF-UHFFFAOYSA-N -1 1 385.829 1.879 20 0 GDADMM COC(=O)[C@H](NC(=O)c1ccc(I)c([O-])c1)C1CC1 ZINC000544870137 650447412 /nfs/dbraw/zinc/44/74/12/650447412.db2.gz BYOLBTMCDYGORE-LLVKDONJSA-N -1 1 375.162 1.678 20 0 GDADMM Cc1cc(Br)cc2c1CN(C(=O)c1cc(=O)n3[n-]cnc3n1)CC2 ZINC000546126509 650471766 /nfs/dbraw/zinc/47/17/66/650471766.db2.gz XWOUPKLRPVYPOD-UHFFFAOYSA-N -1 1 388.225 1.687 20 0 GDADMM C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000546124889 650471844 /nfs/dbraw/zinc/47/18/44/650471844.db2.gz BOWVMLUDGXLURO-SECBINFHSA-N -1 1 388.225 1.767 20 0 GDADMM C[N-]S(=O)(=O)c1ccc(-c2nc(Cn3cc(Br)cn3)no2)o1 ZINC000546476368 650477849 /nfs/dbraw/zinc/47/78/49/650477849.db2.gz QZJLKAJCAWUDIS-UHFFFAOYSA-N -1 1 388.203 1.245 20 0 GDADMM O=C(NCCCO[C@H]1CCOC1)c1ccc(I)c([O-])c1 ZINC000546870928 650488473 /nfs/dbraw/zinc/48/84/73/650488473.db2.gz VPCRQYJRJUXKHK-NSHDSACASA-N -1 1 391.205 1.922 20 0 GDADMM 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CWXKDBJUEBPOEM-OAHLLOKOSA-N -1 1 389.374 1.465 20 0 GDADMM CC(C)(C)OC(=O)[C@H]1CN(c2cc(-c3nnn[n-]3)nc3ccccc32)CCO1 ZINC000819928662 945313808 /nfs/dbraw/zinc/31/38/08/945313808.db2.gz UCCJJOOGLGDRRP-MRXNPFEDSA-N -1 1 382.424 1.962 20 0 GDADMM CC(C)(C)OC(=O)[C@H]1CN(c2cc(-c3nn[n-]n3)nc3ccccc32)CCO1 ZINC000819928662 945313816 /nfs/dbraw/zinc/31/38/16/945313816.db2.gz UCCJJOOGLGDRRP-MRXNPFEDSA-N -1 1 382.424 1.962 20 0 GDADMM O=C([O-])CCN(C(=O)c1n[nH]cc1I)C1CCOCC1 ZINC001602004197 971121116 /nfs/dbraw/zinc/12/11/16/971121116.db2.gz QOQZCGHJYUETQV-UHFFFAOYSA-N -1 1 393.181 1.110 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1nccs1 ZINC001571261652 945429032 /nfs/dbraw/zinc/42/90/32/945429032.db2.gz HUCSWQHZZXBNTK-QWRGUYRKSA-N -1 1 385.457 1.147 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1nccs1 ZINC001571261652 945429037 /nfs/dbraw/zinc/42/90/37/945429037.db2.gz HUCSWQHZZXBNTK-QWRGUYRKSA-N -1 1 385.457 1.147 20 0 GDADMM CC(C)c1ncsc1C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571262328 945436120 /nfs/dbraw/zinc/43/61/20/945436120.db2.gz PFWUZMBXTQXIJT-SNVBAGLBSA-N -1 1 385.457 1.563 20 0 GDADMM CC(C)c1ncsc1C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571262328 945436122 /nfs/dbraw/zinc/43/61/22/945436122.db2.gz PFWUZMBXTQXIJT-SNVBAGLBSA-N -1 1 385.457 1.563 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NCC[C@@H]2CCN(C(=O)c3ccsn3)C2)n1 ZINC001571262866 945444227 /nfs/dbraw/zinc/44/42/27/945444227.db2.gz AVLNYNNMNJWVBM-LLVKDONJSA-N -1 1 385.457 1.386 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NCC[C@@H]2CCN(C(=O)c3ccsn3)C2)n1 ZINC001571262866 945444236 /nfs/dbraw/zinc/44/42/36/945444236.db2.gz AVLNYNNMNJWVBM-LLVKDONJSA-N -1 1 385.457 1.386 20 0 GDADMM Cc1ncc(C(=O)N2CC[C@@H]([C@@H](C)Nc3cnc(-c4nnn[n-]4)cn3)C2)s1 ZINC001571263137 945451301 /nfs/dbraw/zinc/45/13/01/945451301.db2.gz IKPQKCXUGUITBE-MWLCHTKSSA-N -1 1 385.457 1.384 20 0 GDADMM Cc1ncc(C(=O)N2CC[C@@H]([C@@H](C)Nc3cnc(-c4nn[n-]n4)cn3)C2)s1 ZINC001571263137 945451309 /nfs/dbraw/zinc/45/13/09/945451309.db2.gz IKPQKCXUGUITBE-MWLCHTKSSA-N -1 1 385.457 1.384 20 0 GDADMM Cc1nscc1C(=O)N1CC[C@](C)(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571263365 945457306 /nfs/dbraw/zinc/45/73/06/945457306.db2.gz NWNOUVJMOMZSGR-MRXNPFEDSA-N -1 1 385.457 1.386 20 0 GDADMM Cc1nscc1C(=O)N1CC[C@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571263365 945457312 /nfs/dbraw/zinc/45/73/12/945457312.db2.gz NWNOUVJMOMZSGR-MRXNPFEDSA-N -1 1 385.457 1.386 20 0 GDADMM Cc1ncsc1C(=O)N1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C(C)(C)C1 ZINC001571263396 945458402 /nfs/dbraw/zinc/45/84/02/945458402.db2.gz PACBQDSZWKFEED-SNVBAGLBSA-N -1 1 385.457 1.384 20 0 GDADMM Cc1ncsc1C(=O)N1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C(C)(C)C1 ZINC001571263396 945458409 /nfs/dbraw/zinc/45/84/09/945458409.db2.gz PACBQDSZWKFEED-SNVBAGLBSA-N -1 1 385.457 1.384 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)CC2(C)C)ns1 ZINC001571263457 945459010 /nfs/dbraw/zinc/45/90/10/945459010.db2.gz QRMNXUZRILAQMY-GFCCVEGCSA-N -1 1 385.457 1.066 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)CC2(C)C)ns1 ZINC001571263457 945459015 /nfs/dbraw/zinc/45/90/15/945459015.db2.gz QRMNXUZRILAQMY-GFCCVEGCSA-N -1 1 385.457 1.066 20 0 GDADMM Cc1nsc(N[C@H]2CCCN(C(=O)c3ccnc(C)n3)C2)c1-c1nn[n-]n1 ZINC001571263571 945461428 /nfs/dbraw/zinc/46/14/28/945461428.db2.gz UEGWSIUVSAXSFU-NSHDSACASA-N -1 1 385.457 1.447 20 0 GDADMM CN(C(=O)c1cccc(F)c1F)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571267035 945558518 /nfs/dbraw/zinc/55/85/18/945558518.db2.gz HENWMEJTOLGPMD-JTQLQIEISA-N -1 1 386.366 1.286 20 0 GDADMM CN(C(=O)c1cccc(F)c1F)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571267035 945558523 /nfs/dbraw/zinc/55/85/23/945558523.db2.gz HENWMEJTOLGPMD-JTQLQIEISA-N -1 1 386.366 1.286 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc(F)cc(F)c1 ZINC001571267485 945570828 /nfs/dbraw/zinc/57/08/28/945570828.db2.gz WMDLKSJLVSRYHG-TVQRCGJNSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc(F)cc(F)c1 ZINC001571267485 945570834 /nfs/dbraw/zinc/57/08/34/945570834.db2.gz WMDLKSJLVSRYHG-TVQRCGJNSA-N -1 1 386.366 1.650 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)c(F)c1F ZINC001571267542 945573059 /nfs/dbraw/zinc/57/30/59/945573059.db2.gz YIDYUNOOAKCPRK-SNVBAGLBSA-N -1 1 386.366 1.252 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)c(F)c1F ZINC001571267542 945573063 /nfs/dbraw/zinc/57/30/63/945573063.db2.gz YIDYUNOOAKCPRK-SNVBAGLBSA-N -1 1 386.366 1.252 20 0 GDADMM Cc1ccc(NC(=O)CSCC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC001571270257 945632773 /nfs/dbraw/zinc/63/27/73/945632773.db2.gz OKSAXGPKGMADMU-UHFFFAOYSA-N -1 1 386.441 1.219 20 0 GDADMM Cc1ccc(NC(=O)CSCC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC001571270257 945632777 /nfs/dbraw/zinc/63/27/77/945632777.db2.gz OKSAXGPKGMADMU-UHFFFAOYSA-N -1 1 386.441 1.219 20 0 GDADMM COc1ccsc1C(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571270241 945632978 /nfs/dbraw/zinc/63/29/78/945632978.db2.gz OARCVRKZYGZBHR-JTQLQIEISA-N -1 1 386.441 1.444 20 0 GDADMM COc1ccsc1C(=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571270241 945632983 /nfs/dbraw/zinc/63/29/83/945632983.db2.gz OARCVRKZYGZBHR-JTQLQIEISA-N -1 1 386.441 1.444 20 0 GDADMM O=C(c1cnns1)N1CCCC[C@@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001571270268 945633744 /nfs/dbraw/zinc/63/37/44/945633744.db2.gz OTBARUMJRDOVBA-SNVBAGLBSA-N -1 1 386.445 1.005 20 0 GDADMM O=C(c1cnns1)N1CCCC[C@@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001571270268 945633749 /nfs/dbraw/zinc/63/37/49/945633749.db2.gz OTBARUMJRDOVBA-SNVBAGLBSA-N -1 1 386.445 1.005 20 0 GDADMM O=C(COC1CCCCC1)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571272423 945662335 /nfs/dbraw/zinc/66/23/35/945662335.db2.gz DLGZPTQHZXZJNG-CYBMUJFWSA-N -1 1 386.460 1.266 20 0 GDADMM O=C(COC1CCCCC1)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571272423 945662341 /nfs/dbraw/zinc/66/23/41/945662341.db2.gz DLGZPTQHZXZJNG-CYBMUJFWSA-N -1 1 386.460 1.266 20 0 GDADMM CO[C@@H](C(=O)N1CCC([C@H](C)Nc2nccnc2-c2nnn[n-]2)CC1)C1CC1 ZINC001571273077 945677898 /nfs/dbraw/zinc/67/78/98/945677898.db2.gz ONPQQEBGFLMVHD-XHDPSFHLSA-N -1 1 386.460 1.121 20 0 GDADMM CO[C@@H](C(=O)N1CCC([C@H](C)Nc2nccnc2-c2nn[n-]n2)CC1)C1CC1 ZINC001571273077 945677904 /nfs/dbraw/zinc/67/79/04/945677904.db2.gz ONPQQEBGFLMVHD-XHDPSFHLSA-N -1 1 386.460 1.121 20 0 GDADMM O=C(COC1CCCC1)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571273221 945680975 /nfs/dbraw/zinc/68/09/75/945680975.db2.gz SURVOSHQXJUWMF-ZDUSSCGKSA-N -1 1 386.460 1.409 20 0 GDADMM O=C(COC1CCCC1)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571273221 945680984 /nfs/dbraw/zinc/68/09/84/945680984.db2.gz SURVOSHQXJUWMF-ZDUSSCGKSA-N -1 1 386.460 1.409 20 0 GDADMM CO[C@@H](C(=O)N1CC[C@](C)(CNc2cncc(-c3nnn[n-]3)n2)C1)C1CCC1 ZINC001571273529 945691489 /nfs/dbraw/zinc/69/14/89/945691489.db2.gz ZGSBWOBYIZHLNA-CRAIPNDOSA-N -1 1 386.460 1.122 20 0 GDADMM CO[C@@H](C(=O)N1CC[C@](C)(CNc2cncc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001571273529 945691497 /nfs/dbraw/zinc/69/14/97/945691497.db2.gz ZGSBWOBYIZHLNA-CRAIPNDOSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C(=O)N[C@H]2CCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)CCOCC1 ZINC001571277640 945745364 /nfs/dbraw/zinc/74/53/64/945745364.db2.gz MQHSZJNOHSBEOV-STQMWFEESA-N -1 1 386.460 1.170 20 0 GDADMM CC1(C(=O)N[C@H]2CCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)CCOCC1 ZINC001571277640 945745369 /nfs/dbraw/zinc/74/53/69/945745369.db2.gz MQHSZJNOHSBEOV-STQMWFEESA-N -1 1 386.460 1.170 20 0 GDADMM CC[C@H]1CC[C@H](C(=O)N2CCC(C)(Nc3cncc(-c4nnn[n-]4)n3)CC2)O1 ZINC001571279320 945776283 /nfs/dbraw/zinc/77/62/83/945776283.db2.gz UXTXRQUPOASMNX-GXTWGEPZSA-N -1 1 386.460 1.407 20 0 GDADMM CC[C@H]1CC[C@H](C(=O)N2CCC(C)(Nc3cncc(-c4nn[n-]n4)n3)CC2)O1 ZINC001571279320 945776289 /nfs/dbraw/zinc/77/62/89/945776289.db2.gz UXTXRQUPOASMNX-GXTWGEPZSA-N -1 1 386.460 1.407 20 0 GDADMM CC1(C)CC[C@@H](C(=O)N2CCO[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)C1 ZINC001571279374 945778188 /nfs/dbraw/zinc/77/81/88/945778188.db2.gz VYJQMAPUZLYNGG-OLZOCXBDSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CC[C@@H](C(=O)N2CCO[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)C1 ZINC001571279374 945778192 /nfs/dbraw/zinc/77/81/92/945778192.db2.gz VYJQMAPUZLYNGG-OLZOCXBDSA-N -1 1 386.460 1.122 20 0 GDADMM Cc1c(C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)nnn1C(C)C ZINC001571281952 945819228 /nfs/dbraw/zinc/81/92/28/945819228.db2.gz PYBVJKKUBJPANV-UHFFFAOYSA-N -1 1 387.473 1.023 20 0 GDADMM Cc1ncn(C)c1C(=O)N1CCC[C@@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001571282221 945834584 /nfs/dbraw/zinc/83/45/84/945834584.db2.gz VBLZBNJYNCNKRT-LLVKDONJSA-N -1 1 387.473 1.390 20 0 GDADMM COc1ccc(C)nc1NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821782734 945862958 /nfs/dbraw/zinc/86/29/58/945862958.db2.gz MEZMHUORBUTLCF-UHFFFAOYSA-N -1 1 383.412 1.867 20 0 GDADMM CCOc1ccc(NC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)c(C(N)=O)c1 ZINC001571285841 945930324 /nfs/dbraw/zinc/93/03/24/945930324.db2.gz PMNWCTRMZTXSND-UHFFFAOYSA-N -1 1 388.334 1.895 20 0 GDADMM CCOc1ccc(NC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)c(C(N)=O)c1 ZINC001571285841 945930331 /nfs/dbraw/zinc/93/03/31/945930331.db2.gz PMNWCTRMZTXSND-UHFFFAOYSA-N -1 1 388.334 1.895 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCN(C(=O)c3sccc3F)CC2)n1 ZINC001571286288 945941395 /nfs/dbraw/zinc/94/13/95/945941395.db2.gz DEPRWDBBPOYHJD-UHFFFAOYSA-N -1 1 388.432 1.382 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCN(C(=O)c3sccc3F)CC2)n1 ZINC001571286288 945941398 /nfs/dbraw/zinc/94/13/98/945941398.db2.gz DEPRWDBBPOYHJD-UHFFFAOYSA-N -1 1 388.432 1.382 20 0 GDADMM O=C(N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)[C@H]1C[C@@H]1c1ccccc1 ZINC001571287833 945978815 /nfs/dbraw/zinc/97/88/15/945978815.db2.gz JDPAVYMITASVER-JSEZXORMSA-N -1 1 388.435 1.011 20 0 GDADMM O=C(N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)[C@H]1C[C@@H]1c1ccccc1 ZINC001571287833 945978826 /nfs/dbraw/zinc/97/88/26/945978826.db2.gz JDPAVYMITASVER-JSEZXORMSA-N -1 1 388.435 1.011 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(NC(=O)[C@H]3CCC[C@@H](F)C3)CC2)n1 ZINC001571289623 946012923 /nfs/dbraw/zinc/01/29/23/946012923.db2.gz IWHORGAAKVODBJ-QWHCGFSZSA-N -1 1 388.451 1.578 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(NC(=O)[C@H]3CCC[C@@H](F)C3)CC2)n1 ZINC001571289623 946012932 /nfs/dbraw/zinc/01/29/32/946012932.db2.gz IWHORGAAKVODBJ-QWHCGFSZSA-N -1 1 388.451 1.578 20 0 GDADMM Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)c1 ZINC000822232091 946015390 /nfs/dbraw/zinc/01/53/90/946015390.db2.gz SUWXEOTXQAGGIX-UHFFFAOYSA-N -1 1 399.480 1.389 20 0 GDADMM Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)c1 ZINC000822232091 946015405 /nfs/dbraw/zinc/01/54/05/946015405.db2.gz SUWXEOTXQAGGIX-UHFFFAOYSA-N -1 1 399.480 1.389 20 0 GDADMM CN(C(=O)[C@@H]1CCC[C@@H](F)C1)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571289919 946023644 /nfs/dbraw/zinc/02/36/44/946023644.db2.gz PTCFNZNMQYRDGJ-CHWSQXEVSA-N -1 1 388.451 1.612 20 0 GDADMM CN(C(=O)[C@@H]1CCC[C@@H](F)C1)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571289919 946023655 /nfs/dbraw/zinc/02/36/55/946023655.db2.gz PTCFNZNMQYRDGJ-CHWSQXEVSA-N -1 1 388.451 1.612 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccc(Cl)c(F)c1 ZINC001571290408 946042433 /nfs/dbraw/zinc/04/24/33/946042433.db2.gz DGXXRMYWWGNZSD-MGCOHNPYSA-N -1 1 388.794 1.244 20 0 GDADMM O=C(N[C@H]1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)c1ccc(Cl)o1 ZINC001571290593 946046779 /nfs/dbraw/zinc/04/67/79/946046779.db2.gz JNNSUECMSCDRQQ-ZJUUUORDSA-N -1 1 388.819 1.914 20 0 GDADMM O=C(N[C@H]1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)c1ccc(Cl)o1 ZINC001571290593 946046792 /nfs/dbraw/zinc/04/67/92/946046792.db2.gz JNNSUECMSCDRQQ-ZJUUUORDSA-N -1 1 388.819 1.914 20 0 GDADMM O=C(NC[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccc(Cl)o1 ZINC001571290703 946055246 /nfs/dbraw/zinc/05/52/46/946055246.db2.gz MKABBTXUAMNZNO-JTQLQIEISA-N -1 1 388.819 1.550 20 0 GDADMM Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822486419 946103141 /nfs/dbraw/zinc/10/31/41/946103141.db2.gz JJVMQIRKMFQGLQ-UHFFFAOYSA-N -1 1 394.420 1.947 20 0 GDADMM Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822486419 946103145 /nfs/dbraw/zinc/10/31/45/946103145.db2.gz JJVMQIRKMFQGLQ-UHFFFAOYSA-N -1 1 394.420 1.947 20 0 GDADMM O=C(c1ccc(C2CC2)cn1)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1 ZINC001571293622 946111729 /nfs/dbraw/zinc/11/17/29/946111729.db2.gz MZZMXOUTTGBSQX-KBPBESRZSA-N -1 1 389.423 1.032 20 0 GDADMM O=C(c1ccc(C2CC2)cn1)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1 ZINC001571293622 946111736 /nfs/dbraw/zinc/11/17/36/946111736.db2.gz MZZMXOUTTGBSQX-KBPBESRZSA-N -1 1 389.423 1.032 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2coc(C(F)F)c2)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571294172 946127527 /nfs/dbraw/zinc/12/75/27/946127527.db2.gz AFQFCHSYVDZGSI-SCZZXKLOSA-N -1 1 390.354 1.585 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2coc(C(F)F)c2)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571294172 946127533 /nfs/dbraw/zinc/12/75/33/946127533.db2.gz AFQFCHSYVDZGSI-SCZZXKLOSA-N -1 1 390.354 1.585 20 0 GDADMM O=C(N1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1)C1(C(F)F)CC1 ZINC001571295028 946151655 /nfs/dbraw/zinc/15/16/55/946151655.db2.gz RUNCUXVEKDBJTA-UHFFFAOYSA-N -1 1 389.819 1.671 20 0 GDADMM O=C(N1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1)C1(C(F)F)CC1 ZINC001571295028 946151662 /nfs/dbraw/zinc/15/16/62/946151662.db2.gz RUNCUXVEKDBJTA-UHFFFAOYSA-N -1 1 389.819 1.671 20 0 GDADMM O=C(N[C@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2)[C@H]1CCC1(F)F ZINC001571295328 946159531 /nfs/dbraw/zinc/15/95/31/946159531.db2.gz XZQOSHLDGDEUIE-MNOVXSKESA-N -1 1 390.398 1.177 20 0 GDADMM O=C(N[C@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2)[C@H]1CCC1(F)F ZINC001571295328 946159534 /nfs/dbraw/zinc/15/95/34/946159534.db2.gz XZQOSHLDGDEUIE-MNOVXSKESA-N -1 1 390.398 1.177 20 0 GDADMM O=C(NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)c1ccc(C(F)F)o1 ZINC001571295372 946161181 /nfs/dbraw/zinc/16/11/81/946161181.db2.gz YZYBKXUJCBHRCP-VIFPVBQESA-N -1 1 390.354 1.586 20 0 GDADMM O=C([C@H]1C[C@@H]1C(F)F)N1CCC[C@H]2[C@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001571296298 946191727 /nfs/dbraw/zinc/19/17/27/946191727.db2.gz TXKLZAWALOBPFE-XRRVDJEJSA-N -1 1 390.398 1.128 20 0 GDADMM O=C([C@H]1C[C@@H]1C(F)F)N1CCC[C@H]2[C@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001571296298 946191732 /nfs/dbraw/zinc/19/17/32/946191732.db2.gz TXKLZAWALOBPFE-XRRVDJEJSA-N -1 1 390.398 1.128 20 0 GDADMM O=C(c1ccc(C2CCC2)cc1)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571297833 946198168 /nfs/dbraw/zinc/19/81/68/946198168.db2.gz APGKFTHIVCCGAE-UHFFFAOYSA-N -1 1 390.451 1.887 20 0 GDADMM O=C(c1ccc(C2CCC2)cc1)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571297833 946198174 /nfs/dbraw/zinc/19/81/74/946198174.db2.gz APGKFTHIVCCGAE-UHFFFAOYSA-N -1 1 390.451 1.887 20 0 GDADMM O=C(c1cccc(C2CC2)c1)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571297974 946201054 /nfs/dbraw/zinc/20/10/54/946201054.db2.gz FZINMMOYIZPUQM-ZDUSSCGKSA-N -1 1 390.451 1.530 20 0 GDADMM Cc1nsc(N(C)C[C@H]2CCN(C(=O)c3cncs3)C2)c1-c1nn[n-]n1 ZINC001571298107 946207304 /nfs/dbraw/zinc/20/73/04/946207304.db2.gz JSBTXQQPJYCQTA-SNVBAGLBSA-N -1 1 390.498 1.687 20 0 GDADMM O=C(NC[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)[C@@H]1Cc2ccccc21 ZINC001571298293 946210510 /nfs/dbraw/zinc/21/05/10/946210510.db2.gz MSKZYFWRKXKMPW-XJKSGUPXSA-N -1 1 390.451 1.329 20 0 GDADMM O=C(NC[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)[C@@H]1Cc2ccccc21 ZINC001571298293 946210522 /nfs/dbraw/zinc/21/05/22/946210522.db2.gz MSKZYFWRKXKMPW-XJKSGUPXSA-N -1 1 390.451 1.329 20 0 GDADMM O=C(NC[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)[C@H]1Cc2ccccc21 ZINC001571298290 946211117 /nfs/dbraw/zinc/21/11/17/946211117.db2.gz MSKZYFWRKXKMPW-BBRMVZONSA-N -1 1 390.451 1.329 20 0 GDADMM O=C(NC[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)[C@H]1Cc2ccccc21 ZINC001571298290 946211127 /nfs/dbraw/zinc/21/11/27/946211127.db2.gz MSKZYFWRKXKMPW-BBRMVZONSA-N -1 1 390.451 1.329 20 0 GDADMM CCO[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001571298620 946221306 /nfs/dbraw/zinc/22/13/06/946221306.db2.gz HWIKQTYDZZEFRL-DGCLKSJQSA-N -1 1 390.448 1.023 20 0 GDADMM CCO[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001571298620 946221317 /nfs/dbraw/zinc/22/13/17/946221317.db2.gz HWIKQTYDZZEFRL-DGCLKSJQSA-N -1 1 390.448 1.023 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@H](C)C2)cc1 ZINC001571298706 946228470 /nfs/dbraw/zinc/22/84/70/946228470.db2.gz KHWSWPNOGDQOSQ-CJNGLKHVSA-N -1 1 390.451 1.684 20 0 GDADMM O=C(c1ccc2c(c1)CCCC2)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571298849 946229523 /nfs/dbraw/zinc/22/95/23/946229523.db2.gz RHQHMJPFCWFVAA-UHFFFAOYSA-N -1 1 390.451 1.498 20 0 GDADMM O=C(c1ccc2c(c1)CCCC2)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571298849 946229534 /nfs/dbraw/zinc/22/95/34/946229534.db2.gz RHQHMJPFCWFVAA-UHFFFAOYSA-N -1 1 390.451 1.498 20 0 GDADMM O=C(C[C@H]1CCc2ccccc21)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571298898 946232104 /nfs/dbraw/zinc/23/21/04/946232104.db2.gz RPPUOMLWFMVEFQ-CABCVRRESA-N -1 1 390.451 1.790 20 0 GDADMM O=C(C[C@H]1CCc2ccccc21)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571298898 946232114 /nfs/dbraw/zinc/23/21/14/946232114.db2.gz RPPUOMLWFMVEFQ-CABCVRRESA-N -1 1 390.451 1.790 20 0 GDADMM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccccc1C1CCC1 ZINC001571298885 946232895 /nfs/dbraw/zinc/23/28/95/946232895.db2.gz RLEHGGLPDBFASD-AWEZNQCLSA-N -1 1 390.451 1.933 20 0 GDADMM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccccc1C1CCC1 ZINC001571298885 946232906 /nfs/dbraw/zinc/23/29/06/946232906.db2.gz RLEHGGLPDBFASD-AWEZNQCLSA-N -1 1 390.451 1.933 20 0 GDADMM O=C(N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)[C@H]1CCc2ccccc2C1 ZINC001571299183 946242916 /nfs/dbraw/zinc/24/29/16/946242916.db2.gz USSARNOLKBZGRQ-HOTGVXAUSA-N -1 1 390.451 1.157 20 0 GDADMM O=C(N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)[C@H]1CCc2ccccc2C1 ZINC001571299183 946242930 /nfs/dbraw/zinc/24/29/30/946242930.db2.gz USSARNOLKBZGRQ-HOTGVXAUSA-N -1 1 390.451 1.157 20 0 GDADMM Cc1cccc([C@@H](C)C(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nnn[n-]3)cn2)c1 ZINC001571299419 946249229 /nfs/dbraw/zinc/24/92/29/946249229.db2.gz QLCMTYCGUMNBGQ-KBMXLJTQSA-N -1 1 390.451 1.558 20 0 GDADMM Cc1cccc([C@@H](C)C(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nn[n-]n3)cn2)c1 ZINC001571299419 946249234 /nfs/dbraw/zinc/24/92/34/946249234.db2.gz QLCMTYCGUMNBGQ-KBMXLJTQSA-N -1 1 390.451 1.558 20 0 GDADMM O=C(N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C1(c2ccccc2)CCC1 ZINC001571299465 946251097 /nfs/dbraw/zinc/25/10/97/946251097.db2.gz WKLVXWLZHIEQKO-UHFFFAOYSA-N -1 1 390.451 1.427 20 0 GDADMM O=C(N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C1(c2ccccc2)CCC1 ZINC001571299465 946251108 /nfs/dbraw/zinc/25/11/08/946251108.db2.gz WKLVXWLZHIEQKO-UHFFFAOYSA-N -1 1 390.451 1.427 20 0 GDADMM Cc1cccc(C(=O)N[C@]23CCC[C@H]2N(c2cnc(-c4nnn[n-]4)cn2)CC3)c1 ZINC001571299509 946253806 /nfs/dbraw/zinc/25/38/06/946253806.db2.gz SSIOLXDINXEURZ-UZLBHIALSA-N -1 1 390.451 1.897 20 0 GDADMM Cc1cccc(C(=O)N[C@]23CCC[C@H]2N(c2cnc(-c4nn[n-]n4)cn2)CC3)c1 ZINC001571299509 946253815 /nfs/dbraw/zinc/25/38/15/946253815.db2.gz SSIOLXDINXEURZ-UZLBHIALSA-N -1 1 390.451 1.897 20 0 GDADMM O=C(Cc1ccc2c(c1)CCC2)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571299598 946257221 /nfs/dbraw/zinc/25/72/21/946257221.db2.gz YIZBSGDLQVTEKH-INIZCTEOSA-N -1 1 390.451 1.401 20 0 GDADMM O=C(Cc1ccc2c(c1)CCC2)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571299598 946257232 /nfs/dbraw/zinc/25/72/32/946257232.db2.gz YIZBSGDLQVTEKH-INIZCTEOSA-N -1 1 390.451 1.401 20 0 GDADMM O=C([C@@H]1C[C@H]1c1cccnc1)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571302693 946309625 /nfs/dbraw/zinc/30/96/25/946309625.db2.gz FZYNIDXYGPWVJV-AEGPPILISA-N -1 1 391.439 1.116 20 0 GDADMM O=C([C@@H]1C[C@H]1c1cccnc1)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571302693 946309633 /nfs/dbraw/zinc/30/96/33/946309633.db2.gz FZYNIDXYGPWVJV-AEGPPILISA-N -1 1 391.439 1.116 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C23CCC3)cn1 ZINC001571302852 946316873 /nfs/dbraw/zinc/31/68/73/946316873.db2.gz HREALZQJIQHZJN-LSDHHAIUSA-N -1 1 391.439 1.513 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C23CCC3)cn1 ZINC001571302852 946316887 /nfs/dbraw/zinc/31/68/87/946316887.db2.gz HREALZQJIQHZJN-LSDHHAIUSA-N -1 1 391.439 1.513 20 0 GDADMM C[C@@H]1CN(C(=O)[C@@H]2CCc3cccnc32)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571302952 946321958 /nfs/dbraw/zinc/32/19/58/946321958.db2.gz FKOGFYSXHQTCAF-MRVWCRGKSA-N -1 1 391.439 1.041 20 0 GDADMM C[C@@H]1CN(C(=O)[C@@H]2CCc3cccnc32)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571302952 946321971 /nfs/dbraw/zinc/32/19/71/946321971.db2.gz FKOGFYSXHQTCAF-MRVWCRGKSA-N -1 1 391.439 1.041 20 0 GDADMM Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cncc(-c3nnn[n-]3)n2)nc1C ZINC001571303027 946323034 /nfs/dbraw/zinc/32/30/34/946323034.db2.gz JKIHLZAMGNLFLM-OKILXGFUSA-N -1 1 391.439 1.162 20 0 GDADMM Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cncc(-c3nn[n-]n3)n2)nc1C ZINC001571303027 946323047 /nfs/dbraw/zinc/32/30/47/946323047.db2.gz JKIHLZAMGNLFLM-OKILXGFUSA-N -1 1 391.439 1.162 20 0 GDADMM CC[C@@H]1CC[C@@H](C(=O)NC2CCN(c3snc(C)c3-c3nn[n-]n3)CC2)O1 ZINC001571305800 946376844 /nfs/dbraw/zinc/37/68/44/946376844.db2.gz KHNYFHYKXXRIMK-OLZOCXBDSA-N -1 1 391.501 1.674 20 0 GDADMM CC[C@@H]1CCO[C@@H]1C(=O)NC1CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001571306356 946396032 /nfs/dbraw/zinc/39/60/32/946396032.db2.gz UBBKVMWMQRPFRL-RISCZKNCSA-N -1 1 391.501 1.532 20 0 GDADMM CO[C@H]1CCC[C@H](C(=O)N2CCN(c3snc(C)c3-c3nn[n-]n3)CC2)C1 ZINC001571306323 946398459 /nfs/dbraw/zinc/39/84/59/946398459.db2.gz SQIVLAZTOARSAD-STQMWFEESA-N -1 1 391.501 1.485 20 0 GDADMM Cc1nsc(N2CCC[C@H](NC(=O)[C@@]3(C)CCOC3)CC2)c1-c1nn[n-]n1 ZINC001571306653 946408126 /nfs/dbraw/zinc/40/81/26/946408126.db2.gz ZFUMSMGGDKFYPE-SJCJKPOMSA-N -1 1 391.501 1.533 20 0 GDADMM O=C(c1sccc1C(F)F)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571307257 946421082 /nfs/dbraw/zinc/42/10/82/946421082.db2.gz BEDSIIQDXNVPCX-UHFFFAOYSA-N -1 1 392.395 1.618 20 0 GDADMM O=C(c1sccc1C(F)F)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571307257 946421086 /nfs/dbraw/zinc/42/10/86/946421086.db2.gz BEDSIIQDXNVPCX-UHFFFAOYSA-N -1 1 392.395 1.618 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571307545 946422380 /nfs/dbraw/zinc/42/23/80/946422380.db2.gz DPCWWZKNJUCWFC-GHMZBOCLSA-N -1 1 392.414 1.163 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)[C@@H]3CCC(F)(F)C3)C2)cc(-c2nnn[n-]2)n1 ZINC001571308100 946430530 /nfs/dbraw/zinc/43/05/30/946430530.db2.gz MRSTVBZDKGXQFN-GHMZBOCLSA-N -1 1 392.414 1.667 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)[C@@H]3CCC(F)(F)C3)C2)cc(-c2nn[n-]n2)n1 ZINC001571308100 946430540 /nfs/dbraw/zinc/43/05/40/946430540.db2.gz MRSTVBZDKGXQFN-GHMZBOCLSA-N -1 1 392.414 1.667 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@]2(C)CCN(C(=O)[C@H]3CCC3(F)F)C2)n1 ZINC001571308550 946433948 /nfs/dbraw/zinc/43/39/48/946433948.db2.gz QRYNRDJVIZTZKX-BZNIZROVSA-N -1 1 392.414 1.661 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@]2(C)CCN(C(=O)[C@H]3CCC3(F)F)C2)n1 ZINC001571308550 946433953 /nfs/dbraw/zinc/43/39/53/946433953.db2.gz QRYNRDJVIZTZKX-BZNIZROVSA-N -1 1 392.414 1.661 20 0 GDADMM O=C(C1CCC(F)(F)CC1)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571308898 946438229 /nfs/dbraw/zinc/43/82/29/946438229.db2.gz UUBAGDISDFOUDD-GFCCVEGCSA-N -1 1 392.414 1.885 20 0 GDADMM O=C(C1CCC(F)(F)CC1)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571308898 946438233 /nfs/dbraw/zinc/43/82/33/946438233.db2.gz UUBAGDISDFOUDD-GFCCVEGCSA-N -1 1 392.414 1.885 20 0 GDADMM O=C([C@H]1[C@@H]2CCC[C@@H]21)N1C[C@@H]2C[C@H]1CN2c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001571309156 946440655 /nfs/dbraw/zinc/44/06/55/946440655.db2.gz XCJBADOWRCBMJE-LADJIXMOSA-N -1 1 391.888 1.812 20 0 GDADMM O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ncccc1-c1nn[nH]n1)C2)c1ncccc1[O-] ZINC001571309443 946445327 /nfs/dbraw/zinc/44/53/27/946445327.db2.gz AAKAFHVIPIXBLB-XQQFMLRXSA-N -1 1 392.423 1.150 20 0 GDADMM O=C(N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1)C1(C(F)F)CCCC1 ZINC001571309854 946455193 /nfs/dbraw/zinc/45/51/93/946455193.db2.gz MVQOTQDEAKJKCC-LLVKDONJSA-N -1 1 392.414 1.885 20 0 GDADMM O=C(N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1)C1(C(F)F)CCCC1 ZINC001571309854 946455205 /nfs/dbraw/zinc/45/52/05/946455205.db2.gz MVQOTQDEAKJKCC-LLVKDONJSA-N -1 1 392.414 1.885 20 0 GDADMM CN(C(=O)c1ccc2c(c1)CCO2)C1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571310173 946464080 /nfs/dbraw/zinc/46/40/80/946464080.db2.gz XQXPQEJSNJZDKB-UHFFFAOYSA-N -1 1 392.423 1.307 20 0 GDADMM CN(C(=O)c1ccc2c(c1)CCO2)C1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571310173 946464087 /nfs/dbraw/zinc/46/40/87/946464087.db2.gz XQXPQEJSNJZDKB-UHFFFAOYSA-N -1 1 392.423 1.307 20 0 GDADMM OC[C@H](CNc1nccnc1-c1nnn[n-]1)Cc1ccc(OC(F)(F)F)cc1 ZINC000823704950 946470197 /nfs/dbraw/zinc/47/01/97/946470197.db2.gz CTKGZSAFBLQJOI-NSHDSACASA-N -1 1 395.345 1.818 20 0 GDADMM OC[C@H](CNc1nccnc1-c1nn[n-]n1)Cc1ccc(OC(F)(F)F)cc1 ZINC000823704950 946470205 /nfs/dbraw/zinc/47/02/05/946470205.db2.gz CTKGZSAFBLQJOI-NSHDSACASA-N -1 1 395.345 1.818 20 0 GDADMM O=C(c1cccc2c1OCC2)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571312517 946494544 /nfs/dbraw/zinc/49/45/44/946494544.db2.gz GNLVUPWLSMSCDO-CYBMUJFWSA-N -1 1 392.423 1.308 20 0 GDADMM O=C(c1cccc2c1OCC2)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571312517 946494551 /nfs/dbraw/zinc/49/45/51/946494551.db2.gz GNLVUPWLSMSCDO-CYBMUJFWSA-N -1 1 392.423 1.308 20 0 GDADMM CCc1cccc(CC(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571312737 946499950 /nfs/dbraw/zinc/49/99/50/946499950.db2.gz CDCCDWOHRGYLNM-MRXNPFEDSA-N -1 1 392.467 1.547 20 0 GDADMM CCc1cccc(CC(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571312737 946499958 /nfs/dbraw/zinc/49/99/58/946499958.db2.gz CDCCDWOHRGYLNM-MRXNPFEDSA-N -1 1 392.467 1.547 20 0 GDADMM CCc1ccc(C(=O)N(CC)[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571313642 946527529 /nfs/dbraw/zinc/52/75/29/946527529.db2.gz SENUBXZCMDXDGN-INIZCTEOSA-N -1 1 392.467 1.960 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)[C@H](C)c3ccccc3)C2)n1 ZINC001571313744 946530614 /nfs/dbraw/zinc/53/06/14/946530614.db2.gz VITIANAAXSVMOH-HIFRSBDPSA-N -1 1 392.467 1.718 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)[C@H](C)c3ccccc3)C2)n1 ZINC001571313744 946530617 /nfs/dbraw/zinc/53/06/17/946530617.db2.gz VITIANAAXSVMOH-HIFRSBDPSA-N -1 1 392.467 1.718 20 0 GDADMM CC(=O)NC1CCC(NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000823989302 946533844 /nfs/dbraw/zinc/53/38/44/946533844.db2.gz SZGWCMSDKKXCNZ-UHFFFAOYSA-N -1 1 398.876 1.246 20 0 GDADMM CC(=O)NC1CCC(NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000823989302 946533853 /nfs/dbraw/zinc/53/38/53/946533853.db2.gz SZGWCMSDKKXCNZ-UHFFFAOYSA-N -1 1 398.876 1.246 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cccc2c1COCC2 ZINC001571313871 946535012 /nfs/dbraw/zinc/53/50/12/946535012.db2.gz WSHWQIKMDUBKTN-JOCQHMNTSA-N -1 1 392.423 1.102 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cccc2c1COCC2 ZINC001571313871 946535024 /nfs/dbraw/zinc/53/50/24/946535024.db2.gz WSHWQIKMDUBKTN-JOCQHMNTSA-N -1 1 392.423 1.102 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)c3cc(C)cc(C)c3)C2)n1 ZINC001571313862 946535471 /nfs/dbraw/zinc/53/54/71/946535471.db2.gz XKWIAGWXISTVIC-HNNXBMFYSA-N -1 1 392.467 1.845 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)c3cc(C)cc(C)c3)C2)n1 ZINC001571313862 946535479 /nfs/dbraw/zinc/53/54/79/946535479.db2.gz XKWIAGWXISTVIC-HNNXBMFYSA-N -1 1 392.467 1.845 20 0 GDADMM Cc1ccc(CC(=O)N2CCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)cc1C ZINC001571314777 946544429 /nfs/dbraw/zinc/54/44/29/946544429.db2.gz CRBRVPGNHVRGPC-MRXNPFEDSA-N -1 1 392.467 1.919 20 0 GDADMM Cc1ccc(CC(=O)N2CCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)cc1C ZINC001571314777 946544437 /nfs/dbraw/zinc/54/44/37/946544437.db2.gz CRBRVPGNHVRGPC-MRXNPFEDSA-N -1 1 392.467 1.919 20 0 GDADMM Cc1cc(C)cc(CC(=O)N[C@H]2C[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571315383 946549621 /nfs/dbraw/zinc/54/96/21/946549621.db2.gz IXEDEBVJRQNJPY-WKILWMFISA-N -1 1 392.467 1.823 20 0 GDADMM Cc1cc(C)cc(CC(=O)N[C@H]2C[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571315383 946549636 /nfs/dbraw/zinc/54/96/36/946549636.db2.gz IXEDEBVJRQNJPY-WKILWMFISA-N -1 1 392.467 1.823 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H](CN(C)c3nc(C)cc(-c4nnn[n-]4)n3)C2)cc1 ZINC001571315391 946551989 /nfs/dbraw/zinc/55/19/89/946551989.db2.gz JCELJFUPQCHLFH-HNNXBMFYSA-N -1 1 392.467 1.872 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H](CN(C)c3nc(C)cc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571315391 946551995 /nfs/dbraw/zinc/55/19/95/946551995.db2.gz JCELJFUPQCHLFH-HNNXBMFYSA-N -1 1 392.467 1.872 20 0 GDADMM Cc1ccc(CC(=O)N[C@H]2C[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)cc1C ZINC001571316048 946563933 /nfs/dbraw/zinc/56/39/33/946563933.db2.gz SKOGTRNJLIMSPP-WKILWMFISA-N -1 1 392.467 1.823 20 0 GDADMM Cc1ccc(CC(=O)N[C@H]2C[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)cc1C ZINC001571316048 946563941 /nfs/dbraw/zinc/56/39/41/946563941.db2.gz SKOGTRNJLIMSPP-WKILWMFISA-N -1 1 392.467 1.823 20 0 GDADMM Cc1ccccc1[C@@H](C)C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571316463 946577776 /nfs/dbraw/zinc/57/77/76/946577776.db2.gz CYEPGKLLHDZAHK-CABCVRRESA-N -1 1 392.467 1.854 20 0 GDADMM Cc1ccccc1[C@@H](C)C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571316463 946577786 /nfs/dbraw/zinc/57/77/86/946577786.db2.gz CYEPGKLLHDZAHK-CABCVRRESA-N -1 1 392.467 1.854 20 0 GDADMM O=C(NC[C@H]1CCCCCN1c1cncc(-c2nnn[n-]2)n1)C1C=CC=CC=C1 ZINC001571316733 946586653 /nfs/dbraw/zinc/58/66/53/946586653.db2.gz KYZJVKVVXLUBND-MRXNPFEDSA-N -1 1 392.467 1.820 20 0 GDADMM O=C(NC[C@H]1CCCCCN1c1cncc(-c2nn[n-]n2)n1)C1C=CC=CC=C1 ZINC001571316733 946586664 /nfs/dbraw/zinc/58/66/64/946586664.db2.gz KYZJVKVVXLUBND-MRXNPFEDSA-N -1 1 392.467 1.820 20 0 GDADMM CC(C)(C)OC(=O)N1CCC(CCC(=O)n2ncc(-c3nn[n-]n3)c2N)CC1 ZINC000824104816 946589382 /nfs/dbraw/zinc/58/93/82/946589382.db2.gz YOZVSUOKMNORFN-UHFFFAOYSA-N -1 1 390.448 1.713 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000824108660 946590959 /nfs/dbraw/zinc/59/09/59/946590959.db2.gz IBWIUQDEUKFNLZ-JTQLQIEISA-N -1 1 376.421 1.465 20 0 GDADMM CC(C)(C)c1nc(CN2CCCN(c3ccc(-c4nnn[n-]4)nn3)CC2)no1 ZINC000824141625 946601193 /nfs/dbraw/zinc/60/11/93/946601193.db2.gz LCZXFTGJEFWBDN-UHFFFAOYSA-N -1 1 384.448 1.050 20 0 GDADMM CC(C)(C)c1nc(CN2CCCN(c3ccc(-c4nn[n-]n4)nn3)CC2)no1 ZINC000824141625 946601200 /nfs/dbraw/zinc/60/12/00/946601200.db2.gz LCZXFTGJEFWBDN-UHFFFAOYSA-N -1 1 384.448 1.050 20 0 GDADMM NC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001571317301 946606082 /nfs/dbraw/zinc/60/60/82/946606082.db2.gz BPUAGMCJBUDIEJ-MRVPVSSYSA-N -1 1 392.832 1.195 20 0 GDADMM Cn1ccc(C(=O)NC[C@H]2CCCN2c2snc(Cl)c2-c2nnn[n-]2)c1 ZINC001571317612 946615593 /nfs/dbraw/zinc/61/55/93/946615593.db2.gz OGUKCYOBAVBHRT-SNVBAGLBSA-N -1 1 392.876 1.714 20 0 GDADMM Cn1ccc(C(=O)NC[C@H]2CCCN2c2snc(Cl)c2-c2nn[n-]n2)c1 ZINC001571317612 946615599 /nfs/dbraw/zinc/61/55/99/946615599.db2.gz OGUKCYOBAVBHRT-SNVBAGLBSA-N -1 1 392.876 1.714 20 0 GDADMM O=C(c1cccc(=O)[nH]1)N1CC[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571317626 946617201 /nfs/dbraw/zinc/61/72/01/946617201.db2.gz OSRKLPBHUSYTMB-SSDOTTSWSA-N -1 1 392.832 1.404 20 0 GDADMM O=C(c1cccc(=O)[nH]1)N1CC[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571317626 946617210 /nfs/dbraw/zinc/61/72/10/946617210.db2.gz OSRKLPBHUSYTMB-SSDOTTSWSA-N -1 1 392.832 1.404 20 0 GDADMM CC(C)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000824207385 946623297 /nfs/dbraw/zinc/62/32/97/946623297.db2.gz VMFOJAMIQDHHQY-IUODEOHRSA-N -1 1 397.443 1.189 20 0 GDADMM CC(=O)Nc1cccc2c1CN(C(=O)Nc1nn(C)cc1-c1nnn[n-]1)CC2 ZINC001573548145 946846102 /nfs/dbraw/zinc/84/61/02/946846102.db2.gz DNZXJMYUIZQSFV-UHFFFAOYSA-N -1 1 381.400 1.149 20 0 GDADMM CC(=O)Nc1cccc2c1CN(C(=O)Nc1nn(C)cc1-c1nn[n-]n1)CC2 ZINC001573548145 946846113 /nfs/dbraw/zinc/84/61/13/946846113.db2.gz DNZXJMYUIZQSFV-UHFFFAOYSA-N -1 1 381.400 1.149 20 0 GDADMM CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825204894 947117196 /nfs/dbraw/zinc/11/71/96/947117196.db2.gz UBSOZUPYBPJMJG-CHWSQXEVSA-N -1 1 389.460 1.105 20 0 GDADMM CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825204894 947117203 /nfs/dbraw/zinc/11/72/03/947117203.db2.gz UBSOZUPYBPJMJG-CHWSQXEVSA-N -1 1 389.460 1.105 20 0 GDADMM C=C/C(C)=C\CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C ZINC001573317211 947293751 /nfs/dbraw/zinc/29/37/51/947293751.db2.gz MQVUVKNPOBEJTF-CNTYAEFGSA-N -1 1 382.472 1.900 20 0 GDADMM C[C@H](C(=O)N(C)CCCN(C)c1cnc(-c2nnn[n-]2)cn1)c1ccsc1 ZINC001573594377 947392986 /nfs/dbraw/zinc/39/29/86/947392986.db2.gz AMLORBIVUQQNAT-LBPRGKRZSA-N -1 1 386.485 1.807 20 0 GDADMM C[C@H](C(=O)N(C)CCCN(C)c1cnc(-c2nn[n-]n2)cn1)c1ccsc1 ZINC001573594377 947393000 /nfs/dbraw/zinc/39/30/00/947393000.db2.gz AMLORBIVUQQNAT-LBPRGKRZSA-N -1 1 386.485 1.807 20 0 GDADMM C[C@H](C(=O)N(C)C[C@H](O)CNc1snc(Cl)c1-c1nnn[n-]1)C1CC1 ZINC001573595115 947415418 /nfs/dbraw/zinc/41/54/18/947415418.db2.gz FPDGBOMOEXKTQY-IONNQARKSA-N -1 1 385.881 1.254 20 0 GDADMM C[C@H](C(=O)N(C)C[C@H](O)CNc1snc(Cl)c1-c1nn[n-]n1)C1CC1 ZINC001573595115 947415422 /nfs/dbraw/zinc/41/54/22/947415422.db2.gz FPDGBOMOEXKTQY-IONNQARKSA-N -1 1 385.881 1.254 20 0 GDADMM COC(=O)C(C)(C)c1ccc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)cc1 ZINC000826098321 947428038 /nfs/dbraw/zinc/42/80/38/947428038.db2.gz APJPWRIYHFNEBZ-UHFFFAOYSA-N -1 1 384.396 1.795 20 0 GDADMM COC(=O)C(C)(C)c1ccc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)cc1 ZINC000826098321 947428044 /nfs/dbraw/zinc/42/80/44/947428044.db2.gz APJPWRIYHFNEBZ-UHFFFAOYSA-N -1 1 384.396 1.795 20 0 GDADMM CC(C)N(CCN(C)c1cnc(-c2nnn[n-]2)cn1)C(=O)[C@H](C)c1ccco1 ZINC001573604559 947512482 /nfs/dbraw/zinc/51/24/82/947512482.db2.gz PBNYJZYCXJQPLB-CYBMUJFWSA-N -1 1 384.444 1.727 20 0 GDADMM CC(C)N(CCN(C)c1cnc(-c2nn[n-]n2)cn1)C(=O)[C@H](C)c1ccco1 ZINC001573604559 947512489 /nfs/dbraw/zinc/51/24/89/947512489.db2.gz PBNYJZYCXJQPLB-CYBMUJFWSA-N -1 1 384.444 1.727 20 0 GDADMM CC(C)N(CCN(C)c1ccc(-c2nnn[n-]2)nn1)C(=O)[C@@H](C)c1ccco1 ZINC001573605318 947528739 /nfs/dbraw/zinc/52/87/39/947528739.db2.gz VMNNTXZCUIGLNH-ZDUSSCGKSA-N -1 1 384.444 1.727 20 0 GDADMM CC(C)N(CCN(C)c1ccc(-c2nn[n-]n2)nn1)C(=O)[C@@H](C)c1ccco1 ZINC001573605318 947528740 /nfs/dbraw/zinc/52/87/40/947528740.db2.gz VMNNTXZCUIGLNH-ZDUSSCGKSA-N -1 1 384.444 1.727 20 0 GDADMM C[C@@H](C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1)c1cccc(Cl)c1 ZINC001573605357 947529069 /nfs/dbraw/zinc/52/90/69/947529069.db2.gz WRDVQEDZEYLFSB-LLVKDONJSA-N -1 1 386.847 1.984 20 0 GDADMM C[C@@H](C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1)c1cccc(Cl)c1 ZINC001573605357 947529080 /nfs/dbraw/zinc/52/90/80/947529080.db2.gz WRDVQEDZEYLFSB-LLVKDONJSA-N -1 1 386.847 1.984 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1)C1CCC1 ZINC001573613657 947566484 /nfs/dbraw/zinc/56/64/84/947566484.db2.gz FYNABDPVIDTVQJ-YUELXQCFSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1)C1CCC1 ZINC001573613657 947566489 /nfs/dbraw/zinc/56/64/89/947566489.db2.gz FYNABDPVIDTVQJ-YUELXQCFSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](C(=O)N1CCC(CNc2ccc(-c3nnn[n-]3)nn2)CC1)c1ccco1 ZINC001573614202 947581145 /nfs/dbraw/zinc/58/11/45/947581145.db2.gz CZZOWCKTODIZFK-LBPRGKRZSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@H](C(=O)N1CCC(CNc2ccc(-c3nn[n-]n3)nn2)CC1)c1ccco1 ZINC001573614202 947581156 /nfs/dbraw/zinc/58/11/56/947581156.db2.gz CZZOWCKTODIZFK-LBPRGKRZSA-N -1 1 382.428 1.704 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@H](N(C)c3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001573350810 947603373 /nfs/dbraw/zinc/60/33/73/947603373.db2.gz HLHRLILSZOQDOC-HNNXBMFYSA-N -1 1 376.424 1.651 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@H](N(C)c3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573350810 947603379 /nfs/dbraw/zinc/60/33/79/947603379.db2.gz HLHRLILSZOQDOC-HNNXBMFYSA-N -1 1 376.424 1.651 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)c1cccs1 ZINC001573615633 947608231 /nfs/dbraw/zinc/60/82/31/947608231.db2.gz FCQKLUXBNGPPBA-RYUDHWBXSA-N -1 1 384.469 1.782 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)c1cccs1 ZINC001573615633 947608239 /nfs/dbraw/zinc/60/82/39/947608239.db2.gz FCQKLUXBNGPPBA-RYUDHWBXSA-N -1 1 384.469 1.782 20 0 GDADMM C=Cc1ccc(C(=O)N(C)CCCN(C)c2nccnc2-c2nnn[n-]2)cc1 ZINC001573351132 947610881 /nfs/dbraw/zinc/61/08/81/947610881.db2.gz KVYIJGWRLJKZHT-UHFFFAOYSA-N -1 1 378.440 1.898 20 0 GDADMM C=Cc1ccc(C(=O)N(C)CCCN(C)c2nccnc2-c2nn[n-]n2)cc1 ZINC001573351132 947610890 /nfs/dbraw/zinc/61/08/90/947610890.db2.gz KVYIJGWRLJKZHT-UHFFFAOYSA-N -1 1 378.440 1.898 20 0 GDADMM C[C@@H](C(=O)N1CCC(CNc2nccnc2-c2nnn[n-]2)CC1)C(F)(F)F ZINC001573615917 947613187 /nfs/dbraw/zinc/61/31/87/947613187.db2.gz GMDQIKUBCRLCOW-VIFPVBQESA-N -1 1 384.366 1.506 20 0 GDADMM C[C@@H](C(=O)N1CCC(CNc2nccnc2-c2nn[n-]n2)CC1)C(F)(F)F ZINC001573615917 947613194 /nfs/dbraw/zinc/61/31/94/947613194.db2.gz GMDQIKUBCRLCOW-VIFPVBQESA-N -1 1 384.366 1.506 20 0 GDADMM C=Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001573352173 947627721 /nfs/dbraw/zinc/62/77/21/947627721.db2.gz XFEJMZXKBUNGRN-WBMJQRKESA-N -1 1 376.424 1.872 20 0 GDADMM C=Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001573352173 947627729 /nfs/dbraw/zinc/62/77/29/947627729.db2.gz XFEJMZXKBUNGRN-WBMJQRKESA-N -1 1 376.424 1.872 20 0 GDADMM C=Cc1ccc(C(=O)N(C)[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001573352157 947627874 /nfs/dbraw/zinc/62/78/74/947627874.db2.gz WQRCLSGGHPOJMO-OAHLLOKOSA-N -1 1 376.424 1.651 20 0 GDADMM C=Cc1ccc(C(=O)N(C)[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573352157 947627878 /nfs/dbraw/zinc/62/78/78/947627878.db2.gz WQRCLSGGHPOJMO-OAHLLOKOSA-N -1 1 376.424 1.651 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)cc1 ZINC001573354392 947632503 /nfs/dbraw/zinc/63/25/03/947632503.db2.gz BPHKVUCDTPYSFI-PHZGNYQRSA-N -1 1 388.435 1.412 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]32)cc1 ZINC001573354392 947632508 /nfs/dbraw/zinc/63/25/08/947632508.db2.gz BPHKVUCDTPYSFI-PHZGNYQRSA-N -1 1 388.435 1.412 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CN(C)c2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001573617380 947634559 /nfs/dbraw/zinc/63/45/59/947634559.db2.gz OYZQCEXXJFNXAI-QWHCGFSZSA-N -1 1 382.428 1.338 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CN(C)c2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001573617380 947634567 /nfs/dbraw/zinc/63/45/67/947634567.db2.gz OYZQCEXXJFNXAI-QWHCGFSZSA-N -1 1 382.428 1.338 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@@H](C)N(C)c2nc(C)cc(-c3nnn[n-]3)n2)cc1 ZINC001573355405 947643010 /nfs/dbraw/zinc/64/30/10/947643010.db2.gz PFCUMUVPPUVIAC-CYBMUJFWSA-N -1 1 378.440 1.863 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@@H](C)N(C)c2nc(C)cc(-c3nn[n-]n3)n2)cc1 ZINC001573355405 947643020 /nfs/dbraw/zinc/64/30/20/947643020.db2.gz PFCUMUVPPUVIAC-CYBMUJFWSA-N -1 1 378.440 1.863 20 0 GDADMM C=Cc1ccc(C(=O)NCCN(c2ccnc(-c3nn[n-]n3)n2)C2CC2)cc1 ZINC001573358243 947660105 /nfs/dbraw/zinc/66/01/05/947660105.db2.gz DINSCRACFAHLOY-UHFFFAOYSA-N -1 1 376.424 1.699 20 0 GDADMM CSCC[C@@H](C)N(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826228235 947670004 /nfs/dbraw/zinc/67/00/04/947670004.db2.gz JGJAHHBPYHYKEN-SNVBAGLBSA-N -1 1 394.505 1.357 20 0 GDADMM CSCC[C@@H](C)N(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826228235 947670011 /nfs/dbraw/zinc/67/00/11/947670011.db2.gz JGJAHHBPYHYKEN-SNVBAGLBSA-N -1 1 394.505 1.357 20 0 GDADMM CC(=O)CCCC(=O)N(C)C1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573363911 947715237 /nfs/dbraw/zinc/71/52/37/947715237.db2.gz DXYSLFYNKAGWKH-UHFFFAOYSA-N -1 1 386.460 1.598 20 0 GDADMM CC(=O)CCCC(=O)N(C)C1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573363911 947715250 /nfs/dbraw/zinc/71/52/50/947715250.db2.gz DXYSLFYNKAGWKH-UHFFFAOYSA-N -1 1 386.460 1.598 20 0 GDADMM C/C(=C\C(=O)N1CCCC[C@@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573364017 947715975 /nfs/dbraw/zinc/71/59/75/947715975.db2.gz OVTKAODZRYJNPY-BMQCOBNYSA-N -1 1 382.472 1.830 20 0 GDADMM C/C(=C\C(=O)N1CCCC[C@@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573364017 947715981 /nfs/dbraw/zinc/71/59/81/947715981.db2.gz OVTKAODZRYJNPY-BMQCOBNYSA-N -1 1 382.472 1.830 20 0 GDADMM CC(=O)[C@H]([N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C)c1ccccc1F ZINC001573365197 947730575 /nfs/dbraw/zinc/73/05/75/947730575.db2.gz LOESWOHVJKAAIU-INIZCTEOSA-N -1 1 389.412 1.923 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](CN(C)c2cncc(-c3nnn[n-]3)n2)C1)C1CCC1 ZINC001573627993 947743513 /nfs/dbraw/zinc/74/35/13/947743513.db2.gz DQOLEJCXFIJMPQ-KGLIPLIRSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](CN(C)c2cncc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573627993 947743520 /nfs/dbraw/zinc/74/35/20/947743520.db2.gz DQOLEJCXFIJMPQ-KGLIPLIRSA-N -1 1 384.488 1.768 20 0 GDADMM CC(=O)[C@H]([N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1F ZINC001573367104 947752586 /nfs/dbraw/zinc/75/25/86/947752586.db2.gz XGRAHTIJGVWVCW-HNNXBMFYSA-N -1 1 375.385 1.614 20 0 GDADMM CC(=O)CCCC(=O)N(C)C[C@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573367201 947755056 /nfs/dbraw/zinc/75/50/56/947755056.db2.gz AMWVNOAFZWAGOZ-QMMMGPOBSA-N -1 1 385.881 1.995 20 0 GDADMM CC(=O)CCCC(=O)N(C)C[C@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573367201 947755064 /nfs/dbraw/zinc/75/50/64/947755064.db2.gz AMWVNOAFZWAGOZ-QMMMGPOBSA-N -1 1 385.881 1.995 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]2[C@H]1CCN2c1nccnc1-c1nnn[n-]1)C(C)(F)F ZINC001573628541 947756753 /nfs/dbraw/zinc/75/67/53/947756753.db2.gz MSKVCHRUBIRQHQ-IJLUTSLNSA-N -1 1 392.414 1.518 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]2[C@H]1CCN2c1nccnc1-c1nn[n-]n1)C(C)(F)F ZINC001573628541 947756763 /nfs/dbraw/zinc/75/67/63/947756763.db2.gz MSKVCHRUBIRQHQ-IJLUTSLNSA-N -1 1 392.414 1.518 20 0 GDADMM Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)Cc2noc(C)c2-c2nnn[n-]2)n1 ZINC000826265052 947764125 /nfs/dbraw/zinc/76/41/25/947764125.db2.gz KSDKOIBMYMWUEO-AWEZNQCLSA-N -1 1 384.444 1.600 20 0 GDADMM Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)Cc2noc(C)c2-c2nn[n-]n2)n1 ZINC000826265052 947764128 /nfs/dbraw/zinc/76/41/28/947764128.db2.gz KSDKOIBMYMWUEO-AWEZNQCLSA-N -1 1 384.444 1.600 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1)C1CCC1 ZINC001573629061 947771795 /nfs/dbraw/zinc/77/17/95/947771795.db2.gz LVSOPDUMLDSHPY-ZIAGYGMSSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1)C1CCC1 ZINC001573629061 947771800 /nfs/dbraw/zinc/77/18/00/947771800.db2.gz LVSOPDUMLDSHPY-ZIAGYGMSSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001573631497 947802624 /nfs/dbraw/zinc/80/26/24/947802624.db2.gz VNFOASIHVLNSPF-ZIAGYGMSSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001573631497 947802631 /nfs/dbraw/zinc/80/26/31/947802631.db2.gz VNFOASIHVLNSPF-ZIAGYGMSSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cccs1 ZINC001573637377 947812825 /nfs/dbraw/zinc/81/28/25/947812825.db2.gz ATGJEIBQRKQJDS-VXGBXAGGSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cccs1 ZINC001573637377 947812834 /nfs/dbraw/zinc/81/28/34/947812834.db2.gz ATGJEIBQRKQJDS-VXGBXAGGSA-N -1 1 384.469 1.925 20 0 GDADMM CC(C(=O)N1CCCC[C@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1)=C1CCC1 ZINC001573637508 947815256 /nfs/dbraw/zinc/81/52/56/947815256.db2.gz GZAOEEXLTXNQJU-HNNXBMFYSA-N -1 1 382.472 1.974 20 0 GDADMM CC(C(=O)N1CCCC[C@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1)=C1CCC1 ZINC001573637508 947815263 /nfs/dbraw/zinc/81/52/63/947815263.db2.gz GZAOEEXLTXNQJU-HNNXBMFYSA-N -1 1 382.472 1.974 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@H](N(C)c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573375627 947823022 /nfs/dbraw/zinc/82/30/22/947823022.db2.gz SLAJSCLVDDUENY-AWEZNQCLSA-N -1 1 386.460 1.152 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@H](N(C)c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573375627 947823033 /nfs/dbraw/zinc/82/30/33/947823033.db2.gz SLAJSCLVDDUENY-AWEZNQCLSA-N -1 1 386.460 1.152 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)[C@H](C)C1 ZINC001573380358 947859089 /nfs/dbraw/zinc/85/90/89/947859089.db2.gz CATGIOMSQVIGNK-ZWNOBZJWSA-N -1 1 391.501 1.864 20 0 GDADMM C[C@@H](C(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)c1ccccc1F ZINC001573641818 947858999 /nfs/dbraw/zinc/85/89/99/947858999.db2.gz NQBDFTQOCNQEBK-GFCCVEGCSA-N -1 1 382.403 1.248 20 0 GDADMM C[C@@H](C(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)c1ccccc1F ZINC001573641818 947859009 /nfs/dbraw/zinc/85/90/09/947859009.db2.gz NQBDFTQOCNQEBK-GFCCVEGCSA-N -1 1 382.403 1.248 20 0 GDADMM CC(=O)CCCC(=O)NC[C@H](C)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573380517 947860750 /nfs/dbraw/zinc/86/07/50/947860750.db2.gz DQNQXYIBTVUKNF-QMMMGPOBSA-N -1 1 385.881 1.677 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)c1ccco1 ZINC001573645762 947869183 /nfs/dbraw/zinc/86/91/83/947869183.db2.gz AMHSQLJRCUEDOA-MBNYWOFBSA-N -1 1 380.412 1.091 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)c1ccco1 ZINC001573645762 947869189 /nfs/dbraw/zinc/86/91/89/947869189.db2.gz AMHSQLJRCUEDOA-MBNYWOFBSA-N -1 1 380.412 1.091 20 0 GDADMM CC(=O)CCCC(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCCCC1 ZINC001573381902 947878816 /nfs/dbraw/zinc/87/88/16/947878816.db2.gz ZJTCWEZHKHWTKR-UHFFFAOYSA-N -1 1 386.460 1.647 20 0 GDADMM CC(=O)CCCC(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCCCC1 ZINC001573381902 947878822 /nfs/dbraw/zinc/87/88/22/947878822.db2.gz ZJTCWEZHKHWTKR-UHFFFAOYSA-N -1 1 386.460 1.647 20 0 GDADMM CC(=O)CCCC(=O)NC[C@@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001573382438 947882617 /nfs/dbraw/zinc/88/26/17/947882617.db2.gz GNIBTZJEPYHMOA-CYBMUJFWSA-N -1 1 392.485 1.005 20 0 GDADMM C[C@@H](C(=O)N=[S@@](C)(=O)c1cccc(Cl)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001573651033 947918265 /nfs/dbraw/zinc/91/82/65/947918265.db2.gz IMABSOAQNXWYFV-SRENCEJNSA-N -1 1 380.821 1.356 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@]2(C)C1)C(C)(F)F ZINC001573651911 947924968 /nfs/dbraw/zinc/92/49/68/947924968.db2.gz QRXKVAPJHAFIMM-UVWXRNBGSA-N -1 1 392.414 1.233 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@]2(C)C1)C(C)(F)F ZINC001573651911 947924970 /nfs/dbraw/zinc/92/49/70/947924970.db2.gz QRXKVAPJHAFIMM-UVWXRNBGSA-N -1 1 392.414 1.233 20 0 GDADMM C[C@@H](C(=O)N[C@](C)(CNc1nccnc1-c1nnn[n-]1)C1CC1)n1cccc1 ZINC001573652122 947929038 /nfs/dbraw/zinc/92/90/38/947929038.db2.gz BEOUINLHWCATQO-KPZWWZAWSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](C(=O)N[C@](C)(CNc1nccnc1-c1nn[n-]n1)C1CC1)n1cccc1 ZINC001573652122 947929044 /nfs/dbraw/zinc/92/90/44/947929044.db2.gz BEOUINLHWCATQO-KPZWWZAWSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)c1ccsc1 ZINC001573652235 947933144 /nfs/dbraw/zinc/93/31/44/947933144.db2.gz BQZFMODXXKEECL-GXFFZTMASA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)c1ccsc1 ZINC001573652235 947933149 /nfs/dbraw/zinc/93/31/49/947933149.db2.gz BQZFMODXXKEECL-GXFFZTMASA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1)C1CCCC1 ZINC001573652432 947938384 /nfs/dbraw/zinc/93/83/84/947938384.db2.gz ZPYNADQPCPQNKV-AEGPPILISA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1)C1CCCC1 ZINC001573652432 947938391 /nfs/dbraw/zinc/93/83/91/947938391.db2.gz ZPYNADQPCPQNKV-AEGPPILISA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1ccsc1 ZINC001573652870 947948885 /nfs/dbraw/zinc/94/88/85/947948885.db2.gz HSUPORXCZCWWHH-ZWNOBZJWSA-N -1 1 384.469 1.251 20 0 GDADMM Cc1nc(N2CCN(C(=O)Cc3noc(C)c3-c3nnn[n-]3)CC2)sc1C ZINC000826326978 947954520 /nfs/dbraw/zinc/95/45/20/947954520.db2.gz MQUUIXOZDKWZLU-UHFFFAOYSA-N -1 1 388.457 1.128 20 0 GDADMM Cc1nc(N2CCN(C(=O)Cc3noc(C)c3-c3nn[n-]n3)CC2)sc1C ZINC000826326978 947954526 /nfs/dbraw/zinc/95/45/26/947954526.db2.gz MQUUIXOZDKWZLU-UHFFFAOYSA-N -1 1 388.457 1.128 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC12CCC(CC1)C2 ZINC000826328110 947956882 /nfs/dbraw/zinc/95/68/82/947956882.db2.gz GPYDNLNDAASDQX-UHFFFAOYSA-N -1 1 380.456 1.908 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC12CCC(CC1)C2 ZINC000826328110 947956887 /nfs/dbraw/zinc/95/68/87/947956887.db2.gz GPYDNLNDAASDQX-UHFFFAOYSA-N -1 1 380.456 1.908 20 0 GDADMM Cc1onc(CC(=O)N2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)c1-c1nnn[n-]1 ZINC000826343823 947997535 /nfs/dbraw/zinc/99/75/35/947997535.db2.gz OAESJJYDGQYVBL-YGRLFVJLSA-N -1 1 390.350 1.318 20 0 GDADMM Cc1onc(CC(=O)N2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)c1-c1nn[n-]n1 ZINC000826343823 947997548 /nfs/dbraw/zinc/99/75/48/947997548.db2.gz OAESJJYDGQYVBL-YGRLFVJLSA-N -1 1 390.350 1.318 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)c1-c1nnn[n-]1 ZINC000826344331 948004214 /nfs/dbraw/zinc/00/42/14/948004214.db2.gz DSHNUGFZTQREHK-CQSZACIVSA-N -1 1 380.408 1.970 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)c1-c1nn[n-]n1 ZINC000826344331 948004218 /nfs/dbraw/zinc/00/42/18/948004218.db2.gz DSHNUGFZTQREHK-CQSZACIVSA-N -1 1 380.408 1.970 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c1-c1nnn[n-]1 ZINC000826344837 948014108 /nfs/dbraw/zinc/01/41/08/948014108.db2.gz UAPCMJAENHOEKE-LBPRGKRZSA-N -1 1 389.460 1.107 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c1-c1nn[n-]n1 ZINC000826344837 948014120 /nfs/dbraw/zinc/01/41/20/948014120.db2.gz UAPCMJAENHOEKE-LBPRGKRZSA-N -1 1 389.460 1.107 20 0 GDADMM Cc1onc(CC(=O)N2CCn3c(nnc3-c3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826345058 948018123 /nfs/dbraw/zinc/01/81/23/948018123.db2.gz ALTHXEATPMWFPO-UHFFFAOYSA-N -1 1 391.395 1.007 20 0 GDADMM Cc1onc(CC(=O)N2CCn3c(nnc3-c3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826345058 948018130 /nfs/dbraw/zinc/01/81/30/948018130.db2.gz ALTHXEATPMWFPO-UHFFFAOYSA-N -1 1 391.395 1.007 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)c1-c1nnn[n-]1 ZINC000826345772 948027624 /nfs/dbraw/zinc/02/76/24/948027624.db2.gz UGSPXSOEYNICTP-JTQLQIEISA-N -1 1 379.384 1.164 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)c1-c1nn[n-]n1 ZINC000826345772 948027633 /nfs/dbraw/zinc/02/76/33/948027633.db2.gz UGSPXSOEYNICTP-JTQLQIEISA-N -1 1 379.384 1.164 20 0 GDADMM Cc1onc(CC(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1-c1nnn[n-]1 ZINC000826346099 948036250 /nfs/dbraw/zinc/03/62/50/948036250.db2.gz CITUHMUDBBYEDS-LLVKDONJSA-N -1 1 391.432 1.221 20 0 GDADMM Cc1onc(CC(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1-c1nn[n-]n1 ZINC000826346099 948036258 /nfs/dbraw/zinc/03/62/58/948036258.db2.gz CITUHMUDBBYEDS-LLVKDONJSA-N -1 1 391.432 1.221 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nn1)CC2)C1CCC1 ZINC001573664238 948051478 /nfs/dbraw/zinc/05/14/78/948051478.db2.gz SDQMDFFLEIJWRZ-IUODEOHRSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nn1)CC2)C1CCC1 ZINC001573664238 948051484 /nfs/dbraw/zinc/05/14/84/948051484.db2.gz SDQMDFFLEIJWRZ-IUODEOHRSA-N -1 1 382.472 1.568 20 0 GDADMM Cc1onc(CC(=O)NCCNc2ccc3ccccc3n2)c1-c1nnn[n-]1 ZINC000826347542 948055047 /nfs/dbraw/zinc/05/50/47/948055047.db2.gz UWFVUEIGEZACNJ-UHFFFAOYSA-N -1 1 378.396 1.482 20 0 GDADMM Cc1onc(CC(=O)NCCNc2ccc3ccccc3n2)c1-c1nn[n-]n1 ZINC000826347542 948055057 /nfs/dbraw/zinc/05/50/57/948055057.db2.gz UWFVUEIGEZACNJ-UHFFFAOYSA-N -1 1 378.396 1.482 20 0 GDADMM Cc1onc(CC(=O)NCc2ccc(NC(=O)C(C)C)cc2)c1-c1nnn[n-]1 ZINC000826347980 948062354 /nfs/dbraw/zinc/06/23/54/948062354.db2.gz OOKHMXIJLJFTGX-UHFFFAOYSA-N -1 1 383.412 1.617 20 0 GDADMM Cc1onc(CC(=O)NCc2ccc(NC(=O)C(C)C)cc2)c1-c1nn[n-]n1 ZINC000826347980 948062363 /nfs/dbraw/zinc/06/23/63/948062363.db2.gz OOKHMXIJLJFTGX-UHFFFAOYSA-N -1 1 383.412 1.617 20 0 GDADMM C[C@H](C(=O)NC1CC(CNc2cnc(-c3nnn[n-]3)cn2)C1)c1cccs1 ZINC001573664938 948066004 /nfs/dbraw/zinc/06/60/04/948066004.db2.gz ZDPFTYZJRDIZOF-UNXYVOJBSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NC1CC(CNc2cnc(-c3nn[n-]n3)cn2)C1)c1cccs1 ZINC001573664938 948066011 /nfs/dbraw/zinc/06/60/11/948066011.db2.gz ZDPFTYZJRDIZOF-UNXYVOJBSA-N -1 1 384.469 1.829 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(OCc3nccn3C)cc2)c1-c1nnn[n-]1 ZINC000826348279 948070329 /nfs/dbraw/zinc/07/03/29/948070329.db2.gz FLBFTVKCDBJFCG-UHFFFAOYSA-N -1 1 394.395 1.657 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(OCc3nccn3C)cc2)c1-c1nn[n-]n1 ZINC000826348279 948070340 /nfs/dbraw/zinc/07/03/40/948070340.db2.gz FLBFTVKCDBJFCG-UHFFFAOYSA-N -1 1 394.395 1.657 20 0 GDADMM C[C@H](C(=O)NC1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1)C(C)(F)F ZINC001573665824 948076395 /nfs/dbraw/zinc/07/63/95/948076395.db2.gz NMZHONFXHPAIPY-KPPDAEKUSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@H](C(=O)NC1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1)C(C)(F)F ZINC001573665824 948076404 /nfs/dbraw/zinc/07/64/04/948076404.db2.gz NMZHONFXHPAIPY-KPPDAEKUSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@H](C(=O)NC1CC2(C1)CC(Nc1cncc(-c3nnn[n-]3)n1)C2)C(C)(F)F ZINC001573665994 948080630 /nfs/dbraw/zinc/08/06/30/948080630.db2.gz OIUSTVOGYRJHPB-QGPLQOLKSA-N -1 1 392.414 1.787 20 0 GDADMM C[C@H](C(=O)NC1CC2(C1)CC(Nc1cncc(-c3nn[n-]n3)n1)C2)C(C)(F)F ZINC001573665994 948080639 /nfs/dbraw/zinc/08/06/39/948080639.db2.gz OIUSTVOGYRJHPB-QGPLQOLKSA-N -1 1 392.414 1.787 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)c1ccsc1 ZINC001573667368 948096726 /nfs/dbraw/zinc/09/67/26/948096726.db2.gz ZCNXQTZXBRKNRK-AAEUAGOBSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)c1ccsc1 ZINC001573667368 948096731 /nfs/dbraw/zinc/09/67/31/948096731.db2.gz ZCNXQTZXBRKNRK-AAEUAGOBSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1)C(C)(F)F ZINC001573673362 948113408 /nfs/dbraw/zinc/11/34/08/948113408.db2.gz KREOMTKRQIBLKU-NKWVEPMBSA-N -1 1 391.835 1.963 20 0 GDADMM C[C@H](C(=O)NC[C@@H](CO)Nc1nc(-c2nn[n-]n2)c(Cl)s1)C1CCC1 ZINC001573680501 948180372 /nfs/dbraw/zinc/18/03/72/948180372.db2.gz OFKCRNCVFWFZBZ-CBAPKCEASA-N -1 1 385.881 1.302 20 0 GDADMM C[C@H](C(=O)N[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C)c1ccco1 ZINC001573680720 948185969 /nfs/dbraw/zinc/18/59/69/948185969.db2.gz RJNRCGDCKPZUIK-FZMZJTMJSA-N -1 1 382.428 1.384 20 0 GDADMM C[C@H](C(=O)N[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C)c1ccco1 ZINC001573680720 948185975 /nfs/dbraw/zinc/18/59/75/948185975.db2.gz RJNRCGDCKPZUIK-FZMZJTMJSA-N -1 1 382.428 1.384 20 0 GDADMM Nc1n[nH]c(CCCNC(=O)Nc2cnc3c(c2)CCCC3)c1-c1nnn[n-]1 ZINC000826396140 948207325 /nfs/dbraw/zinc/20/73/25/948207325.db2.gz IPMFASOREDMTSE-UHFFFAOYSA-N -1 1 382.432 1.200 20 0 GDADMM Nc1n[nH]c(CCCNC(=O)Nc2cnc3c(c2)CCCC3)c1-c1nn[n-]n1 ZINC000826396140 948207341 /nfs/dbraw/zinc/20/73/41/948207341.db2.gz IPMFASOREDMTSE-UHFFFAOYSA-N -1 1 382.432 1.200 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCC1)c1cccs1 ZINC001573691091 948234270 /nfs/dbraw/zinc/23/42/70/948234270.db2.gz CSKVRLGFVKKAPE-NSHDSACASA-N -1 1 384.469 1.973 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCC1)c1cccs1 ZINC001573691091 948234274 /nfs/dbraw/zinc/23/42/74/948234274.db2.gz CSKVRLGFVKKAPE-NSHDSACASA-N -1 1 384.469 1.973 20 0 GDADMM C[C@@H](C(=O)NC[C@@]1(C)CN(c2ccc(-c3nnn[n-]3)nn2)CCO1)C(C)(C)C ZINC001573691511 948243636 /nfs/dbraw/zinc/24/36/36/948243636.db2.gz JMRQWRYOPJWWHQ-SGTLLEGYSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@@H](C(=O)NC[C@@]1(C)CN(c2ccc(-c3nn[n-]n3)nn2)CCO1)C(C)(C)C ZINC001573691511 948243648 /nfs/dbraw/zinc/24/36/48/948243648.db2.gz JMRQWRYOPJWWHQ-SGTLLEGYSA-N -1 1 388.476 1.050 20 0 GDADMM CC(=O)N1CCC2(CO[C@@H](CNc3snc(C)c3-c3nn[n-]n3)C2)CC1 ZINC001573439214 948244508 /nfs/dbraw/zinc/24/45/08/948244508.db2.gz JTVGBWPSBYCISE-GFCCVEGCSA-N -1 1 377.474 1.461 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCCC1)[C@H]1CCCO1 ZINC001573696532 948327801 /nfs/dbraw/zinc/32/78/01/948327801.db2.gz RTZSNVAWOZDNKB-CHWSQXEVSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCCC1)[C@H]1CCCO1 ZINC001573696532 948327807 /nfs/dbraw/zinc/32/78/07/948327807.db2.gz RTZSNVAWOZDNKB-CHWSQXEVSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)c1ccsc1 ZINC001573702314 948344964 /nfs/dbraw/zinc/34/49/64/948344964.db2.gz DSTKMBUXTJYSMF-YPMHNXCESA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)c1cccs1 ZINC001573702575 948346896 /nfs/dbraw/zinc/34/68/96/948346896.db2.gz FQIPLSADDZJMGN-VXGBXAGGSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)c1cccs1 ZINC001573702575 948346901 /nfs/dbraw/zinc/34/69/01/948346901.db2.gz FQIPLSADDZJMGN-VXGBXAGGSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccsc1 ZINC001573703840 948359505 /nfs/dbraw/zinc/35/95/05/948359505.db2.gz MSCTXZLQCVHWJK-XSRFYTQQSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)NCC1CC(Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccsc1 ZINC001573703840 948359515 /nfs/dbraw/zinc/35/95/15/948359515.db2.gz MSCTXZLQCVHWJK-XSRFYTQQSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001573705410 948400714 /nfs/dbraw/zinc/40/07/14/948400714.db2.gz WNIILRKHVWAQPX-KGLIPLIRSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@H](C(=O)NCCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1)C(F)(F)F ZINC001573714521 948472188 /nfs/dbraw/zinc/47/21/88/948472188.db2.gz HTAVNJDDLNGDLA-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](C(=O)NCC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001573714886 948478789 /nfs/dbraw/zinc/47/87/89/948478789.db2.gz KLJFXWVELXYNFP-ZIAGYGMSSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@H](C(=O)NCC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001573714886 948478801 /nfs/dbraw/zinc/47/88/01/948478801.db2.gz KLJFXWVELXYNFP-ZIAGYGMSSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](CCNC(=O)[C@@H](C)c1cccc(F)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573716907 948502596 /nfs/dbraw/zinc/50/25/96/948502596.db2.gz JOZBZOXJZQMVGB-RYUDHWBXSA-N -1 1 384.419 1.328 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1cncc(-c2nnn[n-]2)n1)c1ccc(F)cc1F ZINC001573716994 948504297 /nfs/dbraw/zinc/50/42/97/948504297.db2.gz AIPNVFXBCKLHKE-JTQLQIEISA-N -1 1 388.382 1.291 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1cncc(-c2nn[n-]n2)n1)c1ccc(F)cc1F ZINC001573716994 948504305 /nfs/dbraw/zinc/50/43/05/948504305.db2.gz AIPNVFXBCKLHKE-JTQLQIEISA-N -1 1 388.382 1.291 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1ccnc(-c2nn[n-]n2)n1)c1c(F)cccc1F ZINC001573720727 948533718 /nfs/dbraw/zinc/53/37/18/948533718.db2.gz SJQFJERKYGXMTO-JTQLQIEISA-N -1 1 388.382 1.291 20 0 GDADMM C[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573727393 948553329 /nfs/dbraw/zinc/55/33/29/948553329.db2.gz MXOLQWRIJRHYRG-VIRABCJISA-N -1 1 382.472 1.566 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C)C1CCCC1 ZINC001573728952 948562802 /nfs/dbraw/zinc/56/28/02/948562802.db2.gz RMPQQCMXNUIGOP-UMVBOHGHSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C)C1CCCC1 ZINC001573728952 948562806 /nfs/dbraw/zinc/56/28/06/948562806.db2.gz RMPQQCMXNUIGOP-UMVBOHGHSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@@H](C(=O)NCc1ccc2c(c1)CN(c1cncc(-c3nnn[n-]3)n1)C2)C1CC1 ZINC001573730552 948582937 /nfs/dbraw/zinc/58/29/37/948582937.db2.gz RBHUIIRBPQTVJK-GFCCVEGCSA-N -1 1 390.451 1.839 20 0 GDADMM C[C@@H](C(=O)NCc1ccc2c(c1)CN(c1cncc(-c3nn[n-]n3)n1)C2)C1CC1 ZINC001573730552 948582942 /nfs/dbraw/zinc/58/29/42/948582942.db2.gz RBHUIIRBPQTVJK-GFCCVEGCSA-N -1 1 390.451 1.839 20 0 GDADMM C[C@H](C(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001573739233 948617907 /nfs/dbraw/zinc/61/79/07/948617907.db2.gz BFKKUFZDRTVLOU-BKGUAONASA-N -1 1 390.451 1.897 20 0 GDADMM C[C@H](C(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001573739233 948617908 /nfs/dbraw/zinc/61/79/08/948617908.db2.gz BFKKUFZDRTVLOU-BKGUAONASA-N -1 1 390.451 1.897 20 0 GDADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@H](C)n1cccc1 ZINC001573741626 948657039 /nfs/dbraw/zinc/65/70/39/948657039.db2.gz DZPAPLDYUKGIIB-BDAKNGLRSA-N -1 1 380.865 1.956 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H](C)c1ccc(F)c(F)c1 ZINC001573741822 948657177 /nfs/dbraw/zinc/65/71/77/948657177.db2.gz FAZNZQDTTDZXME-NXEZZACHSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)c1ccc(F)c(F)c1 ZINC001573741822 948657182 /nfs/dbraw/zinc/65/71/82/948657182.db2.gz FAZNZQDTTDZXME-NXEZZACHSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)[C@H](C)n1cccn1 ZINC001573741873 948658165 /nfs/dbraw/zinc/65/81/65/948658165.db2.gz GXLSGJFRZFEWSU-SFYZADRCSA-N -1 1 381.853 1.351 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@H](C)n1cccn1 ZINC001573741873 948658172 /nfs/dbraw/zinc/65/81/72/948658172.db2.gz GXLSGJFRZFEWSU-SFYZADRCSA-N -1 1 381.853 1.351 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CC1)n1cccc1 ZINC001573746426 948680921 /nfs/dbraw/zinc/68/09/21/948680921.db2.gz LPFXULJEOXMMJG-MGPQQGTHSA-N -1 1 381.444 1.559 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CC1)n1cccc1 ZINC001573746426 948680924 /nfs/dbraw/zinc/68/09/24/948680924.db2.gz LPFXULJEOXMMJG-MGPQQGTHSA-N -1 1 381.444 1.559 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C)c1cccs1 ZINC001573747885 948693194 /nfs/dbraw/zinc/69/31/94/948693194.db2.gz YAAFTDSXPOWYJI-UTUOFQBUSA-N -1 1 384.469 1.605 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C)c1cccs1 ZINC001573747885 948693198 /nfs/dbraw/zinc/69/31/98/948693198.db2.gz YAAFTDSXPOWYJI-UTUOFQBUSA-N -1 1 384.469 1.605 20 0 GDADMM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)[C@H](C)C(C)(C)C ZINC001573751886 948706388 /nfs/dbraw/zinc/70/63/88/948706388.db2.gz GMVYLYAOGLAMAT-VGBQHSPPSA-N -1 1 384.488 1.526 20 0 GDADMM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)[C@H](C)C(C)(C)C ZINC001573751886 948706393 /nfs/dbraw/zinc/70/63/93/948706393.db2.gz GMVYLYAOGLAMAT-VGBQHSPPSA-N -1 1 384.488 1.526 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1)C1CCCC1 ZINC001573753376 948718123 /nfs/dbraw/zinc/71/81/23/948718123.db2.gz SNJYBXXEAQBDRX-OYNZBZHQSA-N -1 1 382.472 1.709 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1)C1CCCC1 ZINC001573753376 948718126 /nfs/dbraw/zinc/71/81/26/948718126.db2.gz SNJYBXXEAQBDRX-OYNZBZHQSA-N -1 1 382.472 1.709 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001573753731 948720606 /nfs/dbraw/zinc/72/06/06/948720606.db2.gz XKKUVARKITWFTL-RZFFKMDDSA-N -1 1 391.439 1.081 20 0 GDADMM CC(C)[C@@H](F)C(=O)N1CCC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574075154 948744312 /nfs/dbraw/zinc/74/43/12/948744312.db2.gz VSOOPGGKCHSANA-SWLSCSKDSA-N -1 1 376.440 1.691 20 0 GDADMM CC(C)[C@@H](F)C(=O)N1CCC[C@@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574075154 948744323 /nfs/dbraw/zinc/74/43/23/948744323.db2.gz VSOOPGGKCHSANA-SWLSCSKDSA-N -1 1 376.440 1.691 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccnc2ccccc21 ZINC001574678293 948745215 /nfs/dbraw/zinc/74/52/15/948745215.db2.gz CGBXYHNPNFOWIU-LBPRGKRZSA-N -1 1 389.423 1.825 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccnc2ccccc21 ZINC001574678293 948745220 /nfs/dbraw/zinc/74/52/20/948745220.db2.gz CGBXYHNPNFOWIU-LBPRGKRZSA-N -1 1 389.423 1.825 20 0 GDADMM C[C@H](CNC(=O)CCc1ccc(F)cc1F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574914487 948752922 /nfs/dbraw/zinc/75/29/22/948752922.db2.gz KSOBOHAJBUUGRE-SNVBAGLBSA-N -1 1 388.382 1.484 20 0 GDADMM C[C@H](CNC(=O)CCc1ccc(F)cc1F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574914487 948752935 /nfs/dbraw/zinc/75/29/35/948752935.db2.gz KSOBOHAJBUUGRE-SNVBAGLBSA-N -1 1 388.382 1.484 20 0 GDADMM CC(F)(F)CC(=O)NC1CC2(C1)CC(Nc1nccnc1-c1nnn[n-]1)C2 ZINC001575223800 948771472 /nfs/dbraw/zinc/77/14/72/948771472.db2.gz FWBYKNFEZHKOJH-UHFFFAOYSA-N -1 1 378.387 1.541 20 0 GDADMM CC(F)(F)CC(=O)NC1CC2(C1)CC(Nc1nccnc1-c1nn[n-]n1)C2 ZINC001575223800 948771484 /nfs/dbraw/zinc/77/14/84/948771484.db2.gz FWBYKNFEZHKOJH-UHFFFAOYSA-N -1 1 378.387 1.541 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001574679356 948776435 /nfs/dbraw/zinc/77/64/35/948776435.db2.gz UCCRKLOYZJRIGG-FPMFFAJLSA-N -1 1 386.460 1.026 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001574679356 948776446 /nfs/dbraw/zinc/77/64/46/948776446.db2.gz UCCRKLOYZJRIGG-FPMFFAJLSA-N -1 1 386.460 1.026 20 0 GDADMM CC(C)c1cccc(C(=O)NCCCN(C)c2ccc(-c3nnn[n-]3)nn2)n1 ZINC001574418674 948781077 /nfs/dbraw/zinc/78/10/77/948781077.db2.gz ZYJXFUZZEFQZLV-UHFFFAOYSA-N -1 1 381.444 1.431 20 0 GDADMM CC(C)c1cccc(C(=O)NCCCN(C)c2ccc(-c3nn[n-]n3)nn2)n1 ZINC001574418674 948781086 /nfs/dbraw/zinc/78/10/86/948781086.db2.gz ZYJXFUZZEFQZLV-UHFFFAOYSA-N -1 1 381.444 1.431 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)C1(c2cccnc2)CC1 ZINC001574679440 948781732 /nfs/dbraw/zinc/78/17/32/948781732.db2.gz VHPNGFDVZXXYHS-GFCCVEGCSA-N -1 1 379.428 1.090 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)C1(c2cccnc2)CC1 ZINC001574679440 948781743 /nfs/dbraw/zinc/78/17/43/948781743.db2.gz VHPNGFDVZXXYHS-GFCCVEGCSA-N -1 1 379.428 1.090 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccnn1C1CCC1 ZINC001574679497 948784396 /nfs/dbraw/zinc/78/43/96/948784396.db2.gz WIIXSCNQVZEPIJ-NSHDSACASA-N -1 1 382.432 1.199 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccnn1C1CCC1 ZINC001574679497 948784406 /nfs/dbraw/zinc/78/44/06/948784406.db2.gz WIIXSCNQVZEPIJ-NSHDSACASA-N -1 1 382.432 1.199 20 0 GDADMM C[C@H](C(=O)N[C@]12CCC[C@H]1CN(c1nccnc1-c1nnn[n-]1)C2)C(F)(F)F ZINC001573755830 948784977 /nfs/dbraw/zinc/78/49/77/948784977.db2.gz JGXLBISUDYHUDR-FTGAXOIBSA-N -1 1 396.377 1.330 20 0 GDADMM C[C@H](C(=O)N[C@]12CCC[C@H]1CN(c1nccnc1-c1nn[n-]n1)C2)C(F)(F)F ZINC001573755830 948784985 /nfs/dbraw/zinc/78/49/85/948784985.db2.gz JGXLBISUDYHUDR-FTGAXOIBSA-N -1 1 396.377 1.330 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CCC[C@H]2CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575224749 948792213 /nfs/dbraw/zinc/79/22/13/948792213.db2.gz YFRBLLOWSPHNJX-WDEREUQCSA-N -1 1 392.414 1.789 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CCC[C@H]2CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575224749 948792220 /nfs/dbraw/zinc/79/22/20/948792220.db2.gz YFRBLLOWSPHNJX-WDEREUQCSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cccc(N(C)C)c1 ZINC001574679892 948792239 /nfs/dbraw/zinc/79/22/39/948792239.db2.gz ATHKTNMLOZKNIX-GFCCVEGCSA-N -1 1 381.444 1.343 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cccc(N(C)C)c1 ZINC001574679892 948792243 /nfs/dbraw/zinc/79/22/43/948792243.db2.gz ATHKTNMLOZKNIX-GFCCVEGCSA-N -1 1 381.444 1.343 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cc1ccccc1Cl ZINC001574679920 948795131 /nfs/dbraw/zinc/79/51/31/948795131.db2.gz BTJLIISPOIUUCV-LLVKDONJSA-N -1 1 386.847 1.860 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cc1ccccc1Cl ZINC001574679920 948795141 /nfs/dbraw/zinc/79/51/41/948795141.db2.gz BTJLIISPOIUUCV-LLVKDONJSA-N -1 1 386.847 1.860 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001575224958 948798481 /nfs/dbraw/zinc/79/84/81/948798481.db2.gz UZKLNFZXASODBV-LLVKDONJSA-N -1 1 378.387 1.177 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001575224958 948798489 /nfs/dbraw/zinc/79/84/89/948798489.db2.gz UZKLNFZXASODBV-LLVKDONJSA-N -1 1 378.387 1.177 20 0 GDADMM CC(F)(F)CC(=O)N1CCCCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575225287 948800613 /nfs/dbraw/zinc/80/06/13/948800613.db2.gz YRJJOFSUHGLOKH-NSHDSACASA-N -1 1 380.403 1.885 20 0 GDADMM CC(F)(F)CC(=O)N1CCCCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575225287 948800622 /nfs/dbraw/zinc/80/06/22/948800622.db2.gz YRJJOFSUHGLOKH-NSHDSACASA-N -1 1 380.403 1.885 20 0 GDADMM CC(C)c1ccoc1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574420857 948807056 /nfs/dbraw/zinc/80/70/56/948807056.db2.gz CBIJCUFVZGDFAE-GFCCVEGCSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1ccoc1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001574420881 948808579 /nfs/dbraw/zinc/80/85/79/948808579.db2.gz CUHVVZRUEYENDN-YPMHNXCESA-N -1 1 382.428 1.770 20 0 GDADMM CC(C)c1ccoc1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001574420881 948808592 /nfs/dbraw/zinc/80/85/92/948808592.db2.gz CUHVVZRUEYENDN-YPMHNXCESA-N -1 1 382.428 1.770 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)CC[C@@H]21 ZINC001575225718 948810377 /nfs/dbraw/zinc/81/03/77/948810377.db2.gz DOENZEBRGJYUPK-YPMHNXCESA-N -1 1 392.414 1.519 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)CC[C@@H]21 ZINC001575225718 948810398 /nfs/dbraw/zinc/81/03/98/948810398.db2.gz DOENZEBRGJYUPK-YPMHNXCESA-N -1 1 392.414 1.519 20 0 GDADMM CC(C)c1ccoc1C(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574421099 948813904 /nfs/dbraw/zinc/81/39/04/948813904.db2.gz GQWGGIVJGSQGQE-LBPRGKRZSA-N -1 1 382.428 1.724 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccc(C2CC2)cn1 ZINC001574680931 948815870 /nfs/dbraw/zinc/81/58/70/948815870.db2.gz KFJHKZAWDNDRMZ-NSHDSACASA-N -1 1 379.428 1.550 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccc(C2CC2)cn1 ZINC001574680931 948815890 /nfs/dbraw/zinc/81/58/90/948815890.db2.gz KFJHKZAWDNDRMZ-NSHDSACASA-N -1 1 379.428 1.550 20 0 GDADMM C[C@H](C(=O)N[C@]12CCC[C@H]1CN(c1ccc(-c3nnn[n-]3)nn1)C2)C(C)(F)F ZINC001573756491 948822079 /nfs/dbraw/zinc/82/20/79/948822079.db2.gz SOTXBMFZHLISRN-RLFDGXBXSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@H](C(=O)N[C@]12CCC[C@H]1CN(c1ccc(-c3nn[n-]n3)nn1)C2)C(C)(F)F ZINC001573756491 948822097 /nfs/dbraw/zinc/82/20/97/948822097.db2.gz SOTXBMFZHLISRN-RLFDGXBXSA-N -1 1 392.414 1.423 20 0 GDADMM CC(C)c1ccoc1C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001574421798 948823730 /nfs/dbraw/zinc/82/37/30/948823730.db2.gz PROCNPIDVVWBAK-CQSZACIVSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1ccoc1C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001574421798 948823747 /nfs/dbraw/zinc/82/37/47/948823747.db2.gz PROCNPIDVVWBAK-CQSZACIVSA-N -1 1 382.428 1.994 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@@H]2[C@@H](CCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575227072 948826520 /nfs/dbraw/zinc/82/65/20/948826520.db2.gz RMPJWXCATJAQAB-CMPLNLGQSA-N -1 1 378.387 1.129 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@@H]2[C@@H](CCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575227072 948826538 /nfs/dbraw/zinc/82/65/38/948826538.db2.gz RMPJWXCATJAQAB-CMPLNLGQSA-N -1 1 378.387 1.129 20 0 GDADMM C[C@H](CNC(=O)CCCc1ccsc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574917810 948827351 /nfs/dbraw/zinc/82/73/51/948827351.db2.gz CETCFOQBHXXGPR-GFCCVEGCSA-N -1 1 386.485 1.682 20 0 GDADMM C[C@H](CNC(=O)CCCc1ccsc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574917810 948827367 /nfs/dbraw/zinc/82/73/67/948827367.db2.gz CETCFOQBHXXGPR-GFCCVEGCSA-N -1 1 386.485 1.682 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cc1ccc2c[nH]nc2c1 ZINC001574682889 948837681 /nfs/dbraw/zinc/83/76/81/948837681.db2.gz SKWCPCYRQRRGJP-NSHDSACASA-N -1 1 392.427 1.082 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cc1ccc2c[nH]nc2c1 ZINC001574682889 948837696 /nfs/dbraw/zinc/83/76/96/948837696.db2.gz SKWCPCYRQRRGJP-NSHDSACASA-N -1 1 392.427 1.082 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573761391 948840552 /nfs/dbraw/zinc/84/05/52/948840552.db2.gz IDXPPLGCIIJCCL-OKILXGFUSA-N -1 1 382.472 1.663 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573761391 948840574 /nfs/dbraw/zinc/84/05/74/948840574.db2.gz IDXPPLGCIIJCCL-OKILXGFUSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)COc1ccccc1F ZINC001574683264 948845951 /nfs/dbraw/zinc/84/59/51/948845951.db2.gz WTKWMTCDUJADAC-NSHDSACASA-N -1 1 386.391 1.182 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)COc1ccccc1F ZINC001574683264 948845964 /nfs/dbraw/zinc/84/59/64/948845964.db2.gz WTKWMTCDUJADAC-NSHDSACASA-N -1 1 386.391 1.182 20 0 GDADMM CC(C)(C(=O)N1CCC(CNc2cncc(-c3nnn[n-]3)n2)CC1)C(F)F ZINC001573761719 948847134 /nfs/dbraw/zinc/84/71/34/948847134.db2.gz LOBGPXVLSLNWGR-UHFFFAOYSA-N -1 1 380.403 1.599 20 0 GDADMM CC(C)(C(=O)N1CCC(CNc2cncc(-c3nn[n-]n3)n2)CC1)C(F)F ZINC001573761719 948847150 /nfs/dbraw/zinc/84/71/50/948847150.db2.gz LOBGPXVLSLNWGR-UHFFFAOYSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1scnc1C1CC1 ZINC001574683406 948850889 /nfs/dbraw/zinc/85/08/89/948850889.db2.gz ZZZHXHCEVCXHOZ-SECBINFHSA-N -1 1 385.457 1.611 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1scnc1C1CC1 ZINC001574683406 948850907 /nfs/dbraw/zinc/85/09/07/948850907.db2.gz ZZZHXHCEVCXHOZ-SECBINFHSA-N -1 1 385.457 1.611 20 0 GDADMM CC(C)c1nc(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)cs1 ZINC001574424375 948855540 /nfs/dbraw/zinc/85/55/40/948855540.db2.gz MVAFOTSCDHQUJE-JTQLQIEISA-N -1 1 385.457 1.563 20 0 GDADMM CC(C)c1nc(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)cs1 ZINC001574424375 948855553 /nfs/dbraw/zinc/85/55/53/948855553.db2.gz MVAFOTSCDHQUJE-JTQLQIEISA-N -1 1 385.457 1.563 20 0 GDADMM CC(C)c1nc([C@H]2CCCCN2C(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)no1 ZINC001574426636 948891198 /nfs/dbraw/zinc/89/11/98/948891198.db2.gz UNXPCRAGQLETCZ-GHMZBOCLSA-N -1 1 386.420 1.279 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@@H](C)[C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)s1 ZINC001574427148 948900958 /nfs/dbraw/zinc/90/09/58/948900958.db2.gz ALKIAEHWXINFJI-ZJUUUORDSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@@H](C)[C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)s1 ZINC001574427148 948900973 /nfs/dbraw/zinc/90/09/73/948900973.db2.gz ALKIAEHWXINFJI-ZJUUUORDSA-N -1 1 387.473 1.856 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)C1=COCCO1 ZINC001574685402 948905690 /nfs/dbraw/zinc/90/56/90/948905690.db2.gz VFHAFZOKRJCABS-SSDOTTSWSA-N -1 1 385.837 1.172 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)C1=COCCO1 ZINC001574685402 948905707 /nfs/dbraw/zinc/90/57/07/948905707.db2.gz VFHAFZOKRJCABS-SSDOTTSWSA-N -1 1 385.837 1.172 20 0 GDADMM CC(C)[C@@]1(C)C[C@H]1C(=O)N1CCC(N(C)c2nccnc2-c2nnn[n-]2)CC1 ZINC001574088238 948912643 /nfs/dbraw/zinc/91/26/43/948912643.db2.gz FBXRJRCWXXKDHP-IFXJQAMLSA-N -1 1 384.488 1.766 20 0 GDADMM CC(C)[C@@]1(C)C[C@H]1C(=O)N1CCC(N(C)c2nccnc2-c2nn[n-]n2)CC1 ZINC001574088238 948912653 /nfs/dbraw/zinc/91/26/53/948912653.db2.gz FBXRJRCWXXKDHP-IFXJQAMLSA-N -1 1 384.488 1.766 20 0 GDADMM CC(C)(C(=O)N1CCCO[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)C1CC1 ZINC001573765502 948914384 /nfs/dbraw/zinc/91/43/84/948914384.db2.gz LBDIRLUREZUTEJ-CYBMUJFWSA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)(C(=O)N1CCCO[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001573765502 948914391 /nfs/dbraw/zinc/91/43/91/948914391.db2.gz LBDIRLUREZUTEJ-CYBMUJFWSA-N -1 1 386.460 1.122 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@H]2[C@@H](CCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575235221 948914753 /nfs/dbraw/zinc/91/47/53/948914753.db2.gz LTAXLGQCVWBOPS-AAEUAGOBSA-N -1 1 392.414 1.519 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@H]2[C@@H](CCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575235221 948914765 /nfs/dbraw/zinc/91/47/65/948914765.db2.gz LTAXLGQCVWBOPS-AAEUAGOBSA-N -1 1 392.414 1.519 20 0 GDADMM CC(C)[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CCO1 ZINC001574088335 948918600 /nfs/dbraw/zinc/91/86/00/948918600.db2.gz AXFIHDFAPMQEKF-RMRHIDDWSA-N -1 1 386.460 1.167 20 0 GDADMM CC(C)[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CCO1 ZINC001574088335 948918614 /nfs/dbraw/zinc/91/86/14/948918614.db2.gz AXFIHDFAPMQEKF-RMRHIDDWSA-N -1 1 386.460 1.167 20 0 GDADMM CC(F)(F)CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001575235543 948921885 /nfs/dbraw/zinc/92/18/85/948921885.db2.gz OFHOOZNJIDWXJE-TXEJJXNPSA-N -1 1 392.414 1.662 20 0 GDADMM CC(F)(F)CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001575235543 948921896 /nfs/dbraw/zinc/92/18/96/948921896.db2.gz OFHOOZNJIDWXJE-TXEJJXNPSA-N -1 1 392.414 1.662 20 0 GDADMM CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1)C1CCCC1 ZINC001573765793 948923105 /nfs/dbraw/zinc/92/31/05/948923105.db2.gz HHZAGOGHAOMSSO-KBPBESRZSA-N -1 1 382.472 1.663 20 0 GDADMM CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1)C1CCCC1 ZINC001573765793 948923110 /nfs/dbraw/zinc/92/31/10/948923110.db2.gz HHZAGOGHAOMSSO-KBPBESRZSA-N -1 1 382.472 1.663 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001573765820 948926922 /nfs/dbraw/zinc/92/69/22/948926922.db2.gz KLBFVXUXNSMICN-AWEZNQCLSA-N -1 1 378.440 1.069 20 0 GDADMM CC(F)(F)CC(=O)NCC1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001575235988 948932489 /nfs/dbraw/zinc/93/24/89/948932489.db2.gz ZRVNKCKIDINKCF-UHFFFAOYSA-N -1 1 380.403 1.425 20 0 GDADMM CC(F)(F)CC(=O)NCC1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001575235988 948932502 /nfs/dbraw/zinc/93/25/02/948932502.db2.gz ZRVNKCKIDINKCF-UHFFFAOYSA-N -1 1 380.403 1.425 20 0 GDADMM CC(C)c1ncncc1C(=O)N(C)[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574432566 948934620 /nfs/dbraw/zinc/93/46/20/948934620.db2.gz NEPSJQGKOZUONW-LLVKDONJSA-N -1 1 382.432 1.143 20 0 GDADMM CC(C)c1ncncc1C(=O)N(C)[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574432566 948934626 /nfs/dbraw/zinc/93/46/26/948934626.db2.gz NEPSJQGKOZUONW-LLVKDONJSA-N -1 1 382.432 1.143 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC[C@@H]2[C@H]1CCN2c1nccnc1-c1nnn[n-]1 ZINC001575236125 948934782 /nfs/dbraw/zinc/93/47/82/948934782.db2.gz WHRUFJAJXPGMLK-VXGBXAGGSA-N -1 1 392.414 1.662 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC[C@@H]2[C@H]1CCN2c1nccnc1-c1nn[n-]n1 ZINC001575236125 948934795 /nfs/dbraw/zinc/93/47/95/948934795.db2.gz WHRUFJAJXPGMLK-VXGBXAGGSA-N -1 1 392.414 1.662 20 0 GDADMM CC(F)(F)CCC(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575236167 948938983 /nfs/dbraw/zinc/93/89/83/948938983.db2.gz WTHJPVUDTQYMJX-LLVKDONJSA-N -1 1 380.403 1.307 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)C1CCC1 ZINC001573771696 948943793 /nfs/dbraw/zinc/94/37/93/948943793.db2.gz LBMBFFDNDMSCCM-JSGCOSHPSA-N -1 1 384.488 1.602 20 0 GDADMM CC(C)c1ncsc1C(=O)NCC[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574433179 948948801 /nfs/dbraw/zinc/94/88/01/948948801.db2.gz KHGNXAAPUSOAQW-JTQLQIEISA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)c1ncsc1C(=O)NCC[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574433179 948948814 /nfs/dbraw/zinc/94/88/14/948948814.db2.gz KHGNXAAPUSOAQW-JTQLQIEISA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)c1ncsc1C(=O)N(C)CCN(C)c1nccnc1-c1nnn[n-]1 ZINC001574433295 948949695 /nfs/dbraw/zinc/94/96/95/948949695.db2.gz SKVGWCZVBSSTJM-UHFFFAOYSA-N -1 1 387.473 1.445 20 0 GDADMM CC(C)c1ncsc1C(=O)N(C)CCN(C)c1nccnc1-c1nn[n-]n1 ZINC001574433295 948949701 /nfs/dbraw/zinc/94/97/01/948949701.db2.gz SKVGWCZVBSSTJM-UHFFFAOYSA-N -1 1 387.473 1.445 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575239822 948963339 /nfs/dbraw/zinc/96/33/39/948963339.db2.gz VNXVQUUNPFOYPN-QWRGUYRKSA-N -1 1 380.403 1.931 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575239822 948963346 /nfs/dbraw/zinc/96/33/46/948963346.db2.gz VNXVQUUNPFOYPN-QWRGUYRKSA-N -1 1 380.403 1.931 20 0 GDADMM CC(C)c1ncsc1C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574433851 948967979 /nfs/dbraw/zinc/96/79/79/948967979.db2.gz SLIVFJIXSHGCEL-UHFFFAOYSA-N -1 1 385.457 1.033 20 0 GDADMM CC(C)c1ncsc1C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574434172 948975859 /nfs/dbraw/zinc/97/58/59/948975859.db2.gz YLPZFTPLFPSKFJ-JTQLQIEISA-N -1 1 385.457 1.563 20 0 GDADMM CC(C)c1ncsc1C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574434172 948975865 /nfs/dbraw/zinc/97/58/65/948975865.db2.gz YLPZFTPLFPSKFJ-JTQLQIEISA-N -1 1 385.457 1.563 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@@H](C)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574434185 948977740 /nfs/dbraw/zinc/97/77/40/948977740.db2.gz YWFJHGMOZPONTB-ZJUUUORDSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@@H](C)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574434185 948977754 /nfs/dbraw/zinc/97/77/54/948977754.db2.gz YWFJHGMOZPONTB-ZJUUUORDSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001573774813 949019796 /nfs/dbraw/zinc/01/97/96/949019796.db2.gz WWFFGRFXICBLGE-CQSZACIVSA-N -1 1 378.440 1.329 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001573774813 949019815 /nfs/dbraw/zinc/01/98/15/949019815.db2.gz WWFFGRFXICBLGE-CQSZACIVSA-N -1 1 378.440 1.329 20 0 GDADMM CC(C)c1nnsc1C(=O)N[C@H](C)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574440496 949027885 /nfs/dbraw/zinc/02/78/85/949027885.db2.gz QGIROQFMZAZFNQ-RKDXNWHRSA-N -1 1 388.461 1.251 20 0 GDADMM CC(C)c1nnsc1C(=O)N[C@H](C)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574440496 949027907 /nfs/dbraw/zinc/02/79/07/949027907.db2.gz QGIROQFMZAZFNQ-RKDXNWHRSA-N -1 1 388.461 1.251 20 0 GDADMM C[C@H](CN(C)C(=O)C(C)(C)C1CCOCC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574692672 949037744 /nfs/dbraw/zinc/03/77/44/949037744.db2.gz AJDCFLJLWXQPBP-GFCCVEGCSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@H](CN(C)C(=O)C(C)(C)C1CCOCC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574692672 949037763 /nfs/dbraw/zinc/03/77/63/949037763.db2.gz AJDCFLJLWXQPBP-GFCCVEGCSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)C1(O)CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC001574091903 949038453 /nfs/dbraw/zinc/03/84/53/949038453.db2.gz MSRUCUXULFDKTG-UHFFFAOYSA-N -1 1 385.877 1.692 20 0 GDADMM CC(C)C1(O)CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC001574091903 949038470 /nfs/dbraw/zinc/03/84/70/949038470.db2.gz MSRUCUXULFDKTG-UHFFFAOYSA-N -1 1 385.877 1.692 20 0 GDADMM CC(C)[C@]1(C)C[C@@H]1C(=O)NC1(CNc2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001574092041 949039797 /nfs/dbraw/zinc/03/97/97/949039797.db2.gz QVFVQJFCAPGCRH-ACJLOTCBSA-N -1 1 384.488 1.602 20 0 GDADMM CC(C)[C@@H]1C[C@H](C(=O)N(C)CCN(C)c2cnc(-c3nnn[n-]3)cn2)CCO1 ZINC001574091888 949040638 /nfs/dbraw/zinc/04/06/38/949040638.db2.gz MQVFBFDMCYJTKB-HIFRSBDPSA-N -1 1 388.476 1.003 20 0 GDADMM CC(C)[C@@H]1C[C@H](C(=O)N(C)CCN(C)c2cnc(-c3nn[n-]n3)cn2)CCO1 ZINC001574091888 949040659 /nfs/dbraw/zinc/04/06/59/949040659.db2.gz MQVFBFDMCYJTKB-HIFRSBDPSA-N -1 1 388.476 1.003 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)c1cccnc1 ZINC001574694254 949068828 /nfs/dbraw/zinc/06/88/28/949068828.db2.gz MFJYAWKTDSCLFE-MRVPVSSYSA-N -1 1 378.849 1.992 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)c1cccnc1 ZINC001574694254 949068848 /nfs/dbraw/zinc/06/88/48/949068848.db2.gz MFJYAWKTDSCLFE-MRVPVSSYSA-N -1 1 378.849 1.992 20 0 GDADMM CC(C)[C@]1(C)C[C@@H]1C(=O)NCC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001574092946 949087117 /nfs/dbraw/zinc/08/71/17/949087117.db2.gz UPTXPWUZXDPURS-KUHUBIRLSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)[C@]1(C)C[C@@H]1C(=O)NCC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001574092946 949087131 /nfs/dbraw/zinc/08/71/31/949087131.db2.gz UPTXPWUZXDPURS-KUHUBIRLSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)(C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCOCC1)C1CC1 ZINC001573780361 949091671 /nfs/dbraw/zinc/09/16/71/949091671.db2.gz WYWCWBHIDYJOLZ-UHFFFAOYSA-N -1 1 386.460 1.170 20 0 GDADMM CC(C)(C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCOCC1)C1CC1 ZINC001573780361 949091686 /nfs/dbraw/zinc/09/16/86/949091686.db2.gz WYWCWBHIDYJOLZ-UHFFFAOYSA-N -1 1 386.460 1.170 20 0 GDADMM CC(C)(C(=O)NCCN(c1nccnc1-c1nnn[n-]1)C1CC1)C(F)(F)F ZINC001573781000 949101207 /nfs/dbraw/zinc/10/12/07/949101207.db2.gz AEWNBAHLFTVHBQ-UHFFFAOYSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(C(=O)NCCN(c1nccnc1-c1nn[n-]n1)C1CC1)C(F)(F)F ZINC001573781000 949101218 /nfs/dbraw/zinc/10/12/18/949101218.db2.gz AEWNBAHLFTVHBQ-UHFFFAOYSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)N1CCC(N(C)c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574093334 949103329 /nfs/dbraw/zinc/10/33/29/949103329.db2.gz WTYAFUFIWPMNJR-AUUYWEPGSA-N -1 1 384.488 1.766 20 0 GDADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)N1CCC(N(C)c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574093334 949103340 /nfs/dbraw/zinc/10/33/40/949103340.db2.gz WTYAFUFIWPMNJR-AUUYWEPGSA-N -1 1 384.488 1.766 20 0 GDADMM CC(C)(C(=O)NCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1)C(F)(F)F ZINC001573781670 949112886 /nfs/dbraw/zinc/11/28/86/949112886.db2.gz MABCDLWFDUSCGP-UHFFFAOYSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(C(=O)NCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1)C(F)(F)F ZINC001573781670 949112896 /nfs/dbraw/zinc/11/28/96/949112896.db2.gz MABCDLWFDUSCGP-UHFFFAOYSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)c1ocnc1C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574445816 949116005 /nfs/dbraw/zinc/11/60/05/949116005.db2.gz DYXWPSPGLAAXHW-LLVKDONJSA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1ocnc1C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574445816 949116016 /nfs/dbraw/zinc/11/60/16/949116016.db2.gz DYXWPSPGLAAXHW-LLVKDONJSA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@@H](C)CCNc2nccnc2-c2nnn[n-]2)s1 ZINC001574695846 949116986 /nfs/dbraw/zinc/11/69/86/949116986.db2.gz KLWNQUMHDCQMAN-JTQLQIEISA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@@H](C)CCNc2nccnc2-c2nn[n-]n2)s1 ZINC001574695846 949116995 /nfs/dbraw/zinc/11/69/95/949116995.db2.gz KLWNQUMHDCQMAN-JTQLQIEISA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)(C(=O)NCCCNc1cnc(-c2nnn[n-]2)cn1)c1ccc(F)cc1 ZINC001573781990 949117490 /nfs/dbraw/zinc/11/74/90/949117490.db2.gz NVORUJQQRMRMLD-UHFFFAOYSA-N -1 1 384.419 1.692 20 0 GDADMM CC(C)(C(=O)NCCCNc1cnc(-c2nn[n-]n2)cn1)c1ccc(F)cc1 ZINC001573781990 949117498 /nfs/dbraw/zinc/11/74/98/949117498.db2.gz NVORUJQQRMRMLD-UHFFFAOYSA-N -1 1 384.419 1.692 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@H](C)CCNc1nccnc1-c1nnn[n-]1 ZINC001574695962 949121190 /nfs/dbraw/zinc/12/11/90/949121190.db2.gz LCQACMKLROUHQO-SNVBAGLBSA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@H](C)CCNc1nccnc1-c1nn[n-]n1 ZINC001574695962 949121201 /nfs/dbraw/zinc/12/12/01/949121201.db2.gz LCQACMKLROUHQO-SNVBAGLBSA-N -1 1 387.473 1.857 20 0 GDADMM C[C@H](CNC(=O)COCC(F)F)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574932093 949130232 /nfs/dbraw/zinc/13/02/32/949130232.db2.gz UZOGIILBTJWEEH-RXMQYKEDSA-N -1 1 381.796 1.175 20 0 GDADMM C[C@H](CNC(=O)COCC(F)F)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574932093 949130245 /nfs/dbraw/zinc/13/02/45/949130245.db2.gz UZOGIILBTJWEEH-RXMQYKEDSA-N -1 1 381.796 1.175 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)NCc1ccc(CNc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001574094240 949133028 /nfs/dbraw/zinc/13/30/28/949133028.db2.gz YGTGKWNZPIIUON-JKSUJKDBSA-N -1 1 392.467 1.599 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001574094450 949138286 /nfs/dbraw/zinc/13/82/86/949138286.db2.gz WCGLCFAPWUJCHQ-XGUBFFRZSA-N -1 1 382.472 1.519 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001574094450 949138300 /nfs/dbraw/zinc/13/83/00/949138300.db2.gz WCGLCFAPWUJCHQ-XGUBFFRZSA-N -1 1 382.472 1.519 20 0 GDADMM CC(C)c1occc1C(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001574446779 949138768 /nfs/dbraw/zinc/13/87/68/949138768.db2.gz VVIUHKWPEDTCHW-ZDUSSCGKSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1occc1C(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001574446779 949138783 /nfs/dbraw/zinc/13/87/83/949138783.db2.gz VVIUHKWPEDTCHW-ZDUSSCGKSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)[C@@H]1C[C@H](C(=O)N(C)CCN(C)c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC001574094875 949146362 /nfs/dbraw/zinc/14/63/62/949146362.db2.gz WTGHWTMKIYIFQS-HIFRSBDPSA-N -1 1 388.476 1.003 20 0 GDADMM CC(C)[C@@H]1C[C@H](C(=O)N(C)CCN(C)c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC001574094875 949146374 /nfs/dbraw/zinc/14/63/74/949146374.db2.gz WTGHWTMKIYIFQS-HIFRSBDPSA-N -1 1 388.476 1.003 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001574447507 949162760 /nfs/dbraw/zinc/16/27/60/949162760.db2.gz QNOMXSVHBMJWQB-LLVKDONJSA-N -1 1 383.416 1.167 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H](F)Cc1ccccc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574697870 949165322 /nfs/dbraw/zinc/16/53/22/949165322.db2.gz CRXRUYHQTTULIL-TZMCWYRMSA-N -1 1 384.419 1.496 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H](F)Cc1ccccc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574697870 949165336 /nfs/dbraw/zinc/16/53/36/949165336.db2.gz CRXRUYHQTTULIL-TZMCWYRMSA-N -1 1 384.419 1.496 20 0 GDADMM C[C@H](CNC(=O)Cc1c[nH]c2ccccc12)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574935594 949198512 /nfs/dbraw/zinc/19/85/12/949198512.db2.gz CYJYPNSWQYACEU-GFCCVEGCSA-N -1 1 391.439 1.322 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(Cl)cc1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574935404 949199348 /nfs/dbraw/zinc/19/93/48/949199348.db2.gz BNNATSRFYZZRFS-LLVKDONJSA-N -1 1 386.847 1.139 20 0 GDADMM CC(C)c1ocnc1C(=O)Nc1c(-c2nn[n-]n2)nnn1Cc1ccccc1 ZINC001574449420 949202586 /nfs/dbraw/zinc/20/25/86/949202586.db2.gz RMSJCOCAAZHRMJ-UHFFFAOYSA-N -1 1 379.384 1.870 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574451298 949227856 /nfs/dbraw/zinc/22/78/56/949227856.db2.gz LJMJTDBMJIXDIC-NSHDSACASA-N -1 1 383.416 1.024 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574451298 949227874 /nfs/dbraw/zinc/22/78/74/949227874.db2.gz LJMJTDBMJIXDIC-NSHDSACASA-N -1 1 383.416 1.024 20 0 GDADMM C[C@H](NC(=O)C1(c2ccccc2)CC1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575255364 949231960 /nfs/dbraw/zinc/23/19/60/949231960.db2.gz PVCWBXYHTPLAKP-STQMWFEESA-N -1 1 378.440 1.694 20 0 GDADMM C[C@H](NC(=O)C1(c2ccccc2)CC1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575255364 949231987 /nfs/dbraw/zinc/23/19/87/949231987.db2.gz PVCWBXYHTPLAKP-STQMWFEESA-N -1 1 378.440 1.694 20 0 GDADMM CC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC001575854393 949232749 /nfs/dbraw/zinc/23/27/49/949232749.db2.gz UGNBDWOKAHOMKD-MCIONIFRSA-N -1 1 382.472 1.308 20 0 GDADMM CC(C)CC(=O)N1CCC([C@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574103445 949247666 /nfs/dbraw/zinc/24/76/66/949247666.db2.gz SLZIHISCAHGOLU-MRXNPFEDSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CC(=O)N1CCC([C@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574103445 949247687 /nfs/dbraw/zinc/24/76/87/949247687.db2.gz SLZIHISCAHGOLU-MRXNPFEDSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)n1cc(C(=O)N(C)CCCN(C)c2nccnc2-c2nnn[n-]2)cn1 ZINC001574452249 949257563 /nfs/dbraw/zinc/25/75/63/949257563.db2.gz HRPHHSAKXISVDJ-UHFFFAOYSA-N -1 1 384.448 1.033 20 0 GDADMM CC(C)n1cc(C(=O)N(C)CCCN(C)c2nccnc2-c2nn[n-]n2)cn1 ZINC001574452249 949257580 /nfs/dbraw/zinc/25/75/80/949257580.db2.gz HRPHHSAKXISVDJ-UHFFFAOYSA-N -1 1 384.448 1.033 20 0 GDADMM CC(C)CC(=O)N1CCCC[C@H]1[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574105434 949260227 /nfs/dbraw/zinc/26/02/27/949260227.db2.gz BAQJWTCPCRKRHY-GJZGRUSLSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)(C)C(=O)N1CCC([C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001573792706 949264901 /nfs/dbraw/zinc/26/49/01/949264901.db2.gz TZRMFMRJKJMTKJ-AWEZNQCLSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)(C)C(=O)N1CCC([C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001573792706 949264918 /nfs/dbraw/zinc/26/49/18/949264918.db2.gz TZRMFMRJKJMTKJ-AWEZNQCLSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574452831 949267050 /nfs/dbraw/zinc/26/70/50/949267050.db2.gz NRFBJIPRHQEMGX-AOOOYVTPSA-N -1 1 385.457 1.031 20 0 GDADMM CC(C)n1cc(C(=O)N[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C2CC2)cn1 ZINC001574452982 949272084 /nfs/dbraw/zinc/27/20/84/949272084.db2.gz UIEJCWNOGJODAI-CQSZACIVSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cc(C(=O)N[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C2CC2)cn1 ZINC001574452982 949272110 /nfs/dbraw/zinc/27/21/10/949272110.db2.gz UIEJCWNOGJODAI-CQSZACIVSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@@H]1CCC[C@@]1(C)C(=O)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576153323 949278626 /nfs/dbraw/zinc/27/86/26/949278626.db2.gz LVCGZAHIPFOWJE-BFUOFWGJSA-N -1 1 384.488 1.555 20 0 GDADMM CC(C)(C)C(=O)C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C12CCC2 ZINC001573793165 949287112 /nfs/dbraw/zinc/28/71/12/949287112.db2.gz NBUPLRQBAYYTRA-NEPJUHHUSA-N -1 1 384.444 1.111 20 0 GDADMM CC(C)(C)C(=O)C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C12CCC2 ZINC001573793165 949287130 /nfs/dbraw/zinc/28/71/30/949287130.db2.gz NBUPLRQBAYYTRA-NEPJUHHUSA-N -1 1 384.444 1.111 20 0 GDADMM CC1=C(C)C[C@](C)(C(=O)NC[C@H](O)CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001575860251 949294701 /nfs/dbraw/zinc/29/47/01/949294701.db2.gz FEOMKBWSZQYCEY-FZKQIMNGSA-N -1 1 386.460 1.072 20 0 GDADMM CC1=C(C)C[C@](C)(C(=O)NC[C@H](O)CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001575860251 949294719 /nfs/dbraw/zinc/29/47/19/949294719.db2.gz FEOMKBWSZQYCEY-FZKQIMNGSA-N -1 1 386.460 1.072 20 0 GDADMM CC1(C(=O)N(CCNc2cncc(-c3nnn[n-]3)n2)Cc2ccccc2)CC1 ZINC001575523581 949297412 /nfs/dbraw/zinc/29/74/12/949297412.db2.gz CPTHNMFVODFOCW-UHFFFAOYSA-N -1 1 378.440 1.898 20 0 GDADMM CC1(C(=O)N(CCNc2cncc(-c3nn[n-]n3)n2)Cc2ccccc2)CC1 ZINC001575523581 949297428 /nfs/dbraw/zinc/29/74/28/949297428.db2.gz CPTHNMFVODFOCW-UHFFFAOYSA-N -1 1 378.440 1.898 20 0 GDADMM C[C@H](CN(C)C(=O)C1(C(F)F)CCCC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574702848 949299393 /nfs/dbraw/zinc/29/93/93/949299393.db2.gz MUGVXNSMCCJEQF-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CN(C)C(=O)C1(C(F)F)CCCC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574702848 949299411 /nfs/dbraw/zinc/29/94/11/949299411.db2.gz MUGVXNSMCCJEQF-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)n1cc(C(=O)NC[C@H]2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001574455345 949300593 /nfs/dbraw/zinc/30/05/93/949300593.db2.gz NYUCGIGEXVGRJO-BJHJDKERSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cc(C(=O)NC[C@H]2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001574455345 949300625 /nfs/dbraw/zinc/30/06/25/949300625.db2.gz NYUCGIGEXVGRJO-BJHJDKERSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1ccc(C(=O)NC[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001574457284 949320710 /nfs/dbraw/zinc/32/07/10/949320710.db2.gz FRUNAITVNLGKCW-HAQNSBGRSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1ccc(C(=O)NC[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001574457284 949320729 /nfs/dbraw/zinc/32/07/29/949320729.db2.gz FRUNAITVNLGKCW-HAQNSBGRSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@H](CNC(=O)Cc1ccco1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574942321 949349734 /nfs/dbraw/zinc/34/97/34/949349734.db2.gz YLMOKWSQPMOOFQ-MRVPVSSYSA-N -1 1 381.849 1.753 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(C(F)F)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574942310 949350883 /nfs/dbraw/zinc/35/08/83/949350883.db2.gz YEWCCZZINVEMFC-SNVBAGLBSA-N -1 1 388.382 1.754 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(C(F)F)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574942310 949350903 /nfs/dbraw/zinc/35/09/03/949350903.db2.gz YEWCCZZINVEMFC-SNVBAGLBSA-N -1 1 388.382 1.754 20 0 GDADMM C[C@H]1CCC[C@@H](OCC(=O)N(C)CCN(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576154722 949357877 /nfs/dbraw/zinc/35/78/77/949357877.db2.gz RNEOGYHTPYNAJI-UONOGXRCSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@H]1CCC[C@@H]1CC(=O)NCC1=CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001576154792 949366046 /nfs/dbraw/zinc/36/60/46/949366046.db2.gz FEKVTKKMLFVWSM-DZGCQCFKSA-N -1 1 382.472 1.736 20 0 GDADMM C[C@H]1CCC[C@@H]1CC(=O)NCC1=CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001576154792 949366069 /nfs/dbraw/zinc/36/60/69/949366069.db2.gz FEKVTKKMLFVWSM-DZGCQCFKSA-N -1 1 382.472 1.736 20 0 GDADMM C[C@H]1[C@H](NC(=O)C(C)(C)C(F)F)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575865376 949374548 /nfs/dbraw/zinc/37/45/48/949374548.db2.gz AHWADWXNMZGECD-VHSXEESVSA-N -1 1 380.403 1.422 20 0 GDADMM CC1(C)CN(C(=O)[C@@]2(C)CC=CCC2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575527947 949386124 /nfs/dbraw/zinc/38/61/24/949386124.db2.gz KEDABIQKVACUQF-DJJJIMSYSA-N -1 1 382.472 1.474 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2(C(C)(F)F)CC2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575866090 949392058 /nfs/dbraw/zinc/39/20/58/949392058.db2.gz CRCRLRQSNVWNPB-QWRGUYRKSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2(C(C)(F)F)CC2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575866090 949392080 /nfs/dbraw/zinc/39/20/80/949392080.db2.gz CRCRLRQSNVWNPB-QWRGUYRKSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C(C)(C)C(F)F)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575866112 949395077 /nfs/dbraw/zinc/39/50/77/949395077.db2.gz CYZJCFSLLBFYDM-NXEZZACHSA-N -1 1 380.403 1.422 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C(C)(C)C(F)F)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575866112 949395099 /nfs/dbraw/zinc/39/50/99/949395099.db2.gz CYZJCFSLLBFYDM-NXEZZACHSA-N -1 1 380.403 1.422 20 0 GDADMM CC(C)(C)C(=O)NC[C@H]1c2ccccc2CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001573802016 949409846 /nfs/dbraw/zinc/40/98/46/949409846.db2.gz BVVJABYDSPQKKW-HNNXBMFYSA-N -1 1 392.467 1.923 20 0 GDADMM CC1(C(=O)N2CCC(CNc3cnc(-c4nnn[n-]4)cn3)CC2)CCOCC1 ZINC001575533136 949412931 /nfs/dbraw/zinc/41/29/31/949412931.db2.gz DEETXUWDCGGPAD-UHFFFAOYSA-N -1 1 386.460 1.124 20 0 GDADMM CC1(C(=O)N2CCC(CNc3cnc(-c4nn[n-]n4)cn3)CC2)CCOCC1 ZINC001575533136 949412951 /nfs/dbraw/zinc/41/29/51/949412951.db2.gz DEETXUWDCGGPAD-UHFFFAOYSA-N -1 1 386.460 1.124 20 0 GDADMM CC(C)n1cccc1C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCC1 ZINC001574464532 949415962 /nfs/dbraw/zinc/41/59/62/949415962.db2.gz KTRJMMRTNFNFLL-UHFFFAOYSA-N -1 1 381.444 1.804 20 0 GDADMM CC(C)n1cccc1C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCC1 ZINC001574464532 949415976 /nfs/dbraw/zinc/41/59/76/949415976.db2.gz KTRJMMRTNFNFLL-UHFFFAOYSA-N -1 1 381.444 1.804 20 0 GDADMM CC(C)n1cnc(C(=O)NC[C@@H](Nc2nccnc2-c2nnn[n-]2)C2CC2)c1 ZINC001574464688 949425687 /nfs/dbraw/zinc/42/56/87/949425687.db2.gz RNOYITDGDDOWTQ-GFCCVEGCSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cnc(C(=O)NC[C@@H](Nc2nccnc2-c2nn[n-]n2)C2CC2)c1 ZINC001574464688 949425696 /nfs/dbraw/zinc/42/56/96/949425696.db2.gz RNOYITDGDDOWTQ-GFCCVEGCSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)CC(=O)N[C@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C[C@H]1O ZINC001574116579 949430288 /nfs/dbraw/zinc/43/02/88/949430288.db2.gz ARIOQPKHVYVMPE-DTWKUNHWSA-N -1 1 385.881 1.079 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C(C)(C)C2CCC2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575867427 949438416 /nfs/dbraw/zinc/43/84/16/949438416.db2.gz JTBIFHYGMVSSHB-TZMCWYRMSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C(C)(C)C2CCC2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575867427 949438429 /nfs/dbraw/zinc/43/84/29/949438429.db2.gz JTBIFHYGMVSSHB-TZMCWYRMSA-N -1 1 384.488 1.957 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001574466016 949448234 /nfs/dbraw/zinc/44/82/34/949448234.db2.gz ZVWNFMIBICJWLO-CYBMUJFWSA-N -1 1 381.444 1.438 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001574466016 949448241 /nfs/dbraw/zinc/44/82/41/949448241.db2.gz ZVWNFMIBICJWLO-CYBMUJFWSA-N -1 1 381.444 1.438 20 0 GDADMM CC(C)n1nccc1C(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574468902 949472429 /nfs/dbraw/zinc/47/24/29/949472429.db2.gz UWVCKGZNIRKTRC-LBPRGKRZSA-N -1 1 382.432 1.008 20 0 GDADMM CC(C)n1nccc1C(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574468902 949472441 /nfs/dbraw/zinc/47/24/41/949472441.db2.gz UWVCKGZNIRKTRC-LBPRGKRZSA-N -1 1 382.432 1.008 20 0 GDADMM CC(C)(C)C(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001573805902 949475967 /nfs/dbraw/zinc/47/59/67/949475967.db2.gz CTLFOFUFIFFPPO-CZUORRHYSA-N -1 1 378.440 1.897 20 0 GDADMM CC(C)(C)C(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001573805902 949475980 /nfs/dbraw/zinc/47/59/80/949475980.db2.gz CTLFOFUFIFFPPO-CZUORRHYSA-N -1 1 378.440 1.897 20 0 GDADMM CC(C)(C)C(=O)NCc1ccc2c(c1)CN(c1nccnc1-c1nnn[n-]1)C2 ZINC001573805954 949479879 /nfs/dbraw/zinc/47/98/79/949479879.db2.gz FORZGWPZMGQVLC-UHFFFAOYSA-N -1 1 378.440 1.839 20 0 GDADMM CC(C)(C)C(=O)NCc1ccc2c(c1)CN(c1nccnc1-c1nn[n-]n1)C2 ZINC001573805954 949479900 /nfs/dbraw/zinc/47/99/00/949479900.db2.gz FORZGWPZMGQVLC-UHFFFAOYSA-N -1 1 378.440 1.839 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2(C(F)F)CC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575869896 949480579 /nfs/dbraw/zinc/48/05/79/949480579.db2.gz SNSZZQZHUXCYGO-NXEZZACHSA-N -1 1 378.387 1.176 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2(C(F)F)CC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575869896 949480592 /nfs/dbraw/zinc/48/05/92/949480592.db2.gz SNSZZQZHUXCYGO-NXEZZACHSA-N -1 1 378.387 1.176 20 0 GDADMM CC(C)n1nccc1C(=O)NCC1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574470860 949517358 /nfs/dbraw/zinc/51/73/58/949517358.db2.gz VRMLOAKHZNGWEY-UHFFFAOYSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1nccc1C(=O)NCC1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574470860 949517361 /nfs/dbraw/zinc/51/73/61/949517361.db2.gz VRMLOAKHZNGWEY-UHFFFAOYSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1Cc2ccc(F)cc21)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574711140 949526010 /nfs/dbraw/zinc/52/60/10/949526010.db2.gz DNLKZWQVAAGGGC-IINYFYTJSA-N -1 1 382.403 1.395 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1Cc2ccc(F)cc21)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574711140 949526029 /nfs/dbraw/zinc/52/60/29/949526029.db2.gz DNLKZWQVAAGGGC-IINYFYTJSA-N -1 1 382.403 1.395 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2C(C)(C)C2(C)C)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575872169 949538804 /nfs/dbraw/zinc/53/88/04/949538804.db2.gz HAUSKKYUDCMCNB-NEPJUHHUSA-N -1 1 384.488 1.812 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2C(C)(C)C2(C)C)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575872169 949538822 /nfs/dbraw/zinc/53/88/22/949538822.db2.gz HAUSKKYUDCMCNB-NEPJUHHUSA-N -1 1 384.488 1.812 20 0 GDADMM C[C@H](NC(=O)CC1(C(F)(F)F)CC1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575269255 949547851 /nfs/dbraw/zinc/54/78/51/949547851.db2.gz SNERWRPYLXDORH-IUCAKERBSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@H](NC(=O)CC1(C(F)(F)F)CC1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575269255 949547876 /nfs/dbraw/zinc/54/78/76/949547876.db2.gz SNERWRPYLXDORH-IUCAKERBSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@H]1CCCN(C(=O)C2CC(F)(F)C2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576164878 949559939 /nfs/dbraw/zinc/55/99/39/949559939.db2.gz IBNQPIQARMQXCA-GXFFZTMASA-N -1 1 392.414 1.741 20 0 GDADMM C[C@H]1CCCN(C(=O)C2CC(F)(F)C2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576164878 949559941 /nfs/dbraw/zinc/55/99/41/949559941.db2.gz IBNQPIQARMQXCA-GXFFZTMASA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H]1CCCC[C@H]1OCC(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001576164576 949560552 /nfs/dbraw/zinc/56/05/52/949560552.db2.gz HNMXCCKUVKLDIC-TZMCWYRMSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H]1CCCC[C@H]1OCC(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001576164576 949560567 /nfs/dbraw/zinc/56/05/67/949560567.db2.gz HNMXCCKUVKLDIC-TZMCWYRMSA-N -1 1 386.460 1.313 20 0 GDADMM CC(C)C[C@@H](C(=O)N[C@H](C)CNc1cncc(-c2nnn[n-]2)n1)n1ccnc1 ZINC001574124122 949566506 /nfs/dbraw/zinc/56/65/06/949566506.db2.gz CEIXCTCAHNWNRV-OCCSQVGLSA-N -1 1 384.448 1.057 20 0 GDADMM CC(C)C[C@@H](C(=O)N[C@H](C)CNc1cncc(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574124122 949566519 /nfs/dbraw/zinc/56/65/19/949566519.db2.gz CEIXCTCAHNWNRV-OCCSQVGLSA-N -1 1 384.448 1.057 20 0 GDADMM C[C@H](CC(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC001574475609 949571308 /nfs/dbraw/zinc/57/13/08/949571308.db2.gz BJOOMGJRUJEKFY-CQSZACIVSA-N -1 1 380.456 1.745 20 0 GDADMM C[C@H](CC(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC001574475609 949571329 /nfs/dbraw/zinc/57/13/29/949571329.db2.gz BJOOMGJRUJEKFY-CQSZACIVSA-N -1 1 380.456 1.745 20 0 GDADMM CC1(C(=O)N2CCCN(c3nccnc3-c3nnn[n-]3)CC2)CC(F)(F)C1 ZINC001575544109 949576396 /nfs/dbraw/zinc/57/63/96/949576396.db2.gz AQGHHTNSUPFKMV-UHFFFAOYSA-N -1 1 378.387 1.131 20 0 GDADMM CC1(C(=O)N2CCCN(c3nccnc3-c3nn[n-]n3)CC2)CC(F)(F)C1 ZINC001575544109 949576411 /nfs/dbraw/zinc/57/64/11/949576411.db2.gz AQGHHTNSUPFKMV-UHFFFAOYSA-N -1 1 378.387 1.131 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CC(C)(C)C2CC2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575873446 949582002 /nfs/dbraw/zinc/58/20/02/949582002.db2.gz PGUABZOMBOYOSQ-OCCSQVGLSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CC(C)(C)C2CC2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575873446 949582017 /nfs/dbraw/zinc/58/20/17/949582017.db2.gz PGUABZOMBOYOSQ-OCCSQVGLSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@@H]1CCCC[C@H]1OCC(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001576166514 949584094 /nfs/dbraw/zinc/58/40/94/949584094.db2.gz MSILHIAMLJZPGA-CHWSQXEVSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H]1CCCC[C@H]1OCC(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001576166514 949584107 /nfs/dbraw/zinc/58/41/07/949584107.db2.gz MSILHIAMLJZPGA-CHWSQXEVSA-N -1 1 386.460 1.313 20 0 GDADMM CC1(C(=O)N2CCCC[C@@H]2[C@@H]2CCCN2c2nccnc2-c2nnn[n-]2)CC1 ZINC001575544927 949591905 /nfs/dbraw/zinc/59/19/05/949591905.db2.gz HOUJUZPYTZGWMV-UONOGXRCSA-N -1 1 382.472 1.807 20 0 GDADMM CC1(C(=O)N2CCCC[C@@H]2[C@@H]2CCCN2c2nccnc2-c2nn[n-]n2)CC1 ZINC001575544927 949591923 /nfs/dbraw/zinc/59/19/23/949591923.db2.gz HOUJUZPYTZGWMV-UONOGXRCSA-N -1 1 382.472 1.807 20 0 GDADMM C[C@H]1CCCN(C(=O)C2C=CC=CC=C2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576167099 949599256 /nfs/dbraw/zinc/59/92/56/949599256.db2.gz OTBCAXJAXXPUKL-GOEBONIOSA-N -1 1 392.467 1.994 20 0 GDADMM C[C@H]1CCCN(C(=O)C2C=CC=CC=C2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576167099 949599270 /nfs/dbraw/zinc/59/92/70/949599270.db2.gz OTBCAXJAXXPUKL-GOEBONIOSA-N -1 1 392.467 1.994 20 0 GDADMM C[C@H](NC(=O)CCC1CCC1)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575270750 949602163 /nfs/dbraw/zinc/60/21/63/949602163.db2.gz FXRPKRWANJVAMM-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](NC(=O)CCC1CCC1)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575270750 949602173 /nfs/dbraw/zinc/60/21/73/949602173.db2.gz FXRPKRWANJVAMM-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@]1(C(=O)N2CCCC[C@H]2CNc2nccnc2-c2nnn[n-]2)CCCOC1 ZINC001575545884 949605547 /nfs/dbraw/zinc/60/55/47/949605547.db2.gz NMNOCONWSMEPDC-UGSOOPFHSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@]1(C(=O)N2CCCC[C@H]2CNc2nccnc2-c2nn[n-]n2)CCCOC1 ZINC001575545884 949605556 /nfs/dbraw/zinc/60/55/56/949605556.db2.gz NMNOCONWSMEPDC-UGSOOPFHSA-N -1 1 386.460 1.266 20 0 GDADMM CC1(C(=O)N2CCCC[C@@H]2[C@@H]2CCCN2c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001575546823 949614262 /nfs/dbraw/zinc/61/42/62/949614262.db2.gz RVCAWWUZJGNQMF-LSDHHAIUSA-N -1 1 382.472 1.807 20 0 GDADMM CC1(C(=O)N2CCCC[C@@H]2[C@@H]2CCCN2c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001575546823 949614272 /nfs/dbraw/zinc/61/42/72/949614272.db2.gz RVCAWWUZJGNQMF-LSDHHAIUSA-N -1 1 382.472 1.807 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@@H](C)c1ccncc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574714539 949627818 /nfs/dbraw/zinc/62/78/18/949627818.db2.gz FEPQJOOSAOAACM-CHWSQXEVSA-N -1 1 381.444 1.504 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@@H](C)c1ccncc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574714539 949627831 /nfs/dbraw/zinc/62/78/31/949627831.db2.gz FEPQJOOSAOAACM-CHWSQXEVSA-N -1 1 381.444 1.504 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574957758 949631691 /nfs/dbraw/zinc/63/16/91/949631691.db2.gz HPZMUTWYWOJVBG-ZQGRQUNCSA-N -1 1 392.467 1.575 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574957758 949631705 /nfs/dbraw/zinc/63/17/05/949631705.db2.gz HPZMUTWYWOJVBG-ZQGRQUNCSA-N -1 1 392.467 1.575 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CCc1ccon1 ZINC001573814243 949637825 /nfs/dbraw/zinc/63/78/25/949637825.db2.gz CECKFQJGKAUVJK-ZDUSSCGKSA-N -1 1 385.432 1.220 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CCc1ccon1 ZINC001573814243 949637841 /nfs/dbraw/zinc/63/78/41/949637841.db2.gz CECKFQJGKAUVJK-ZDUSSCGKSA-N -1 1 385.432 1.220 20 0 GDADMM C[C@H](CC(=O)N(C)CCNc1nccnc1-c1nnn[n-]1)c1cccc(F)c1 ZINC001574477079 949639580 /nfs/dbraw/zinc/63/95/80/949639580.db2.gz JLCLKHVEGWFBGU-GFCCVEGCSA-N -1 1 384.419 1.860 20 0 GDADMM C[C@H](CC(=O)N(C)CCNc1nccnc1-c1nn[n-]n1)c1cccc(F)c1 ZINC001574477079 949639592 /nfs/dbraw/zinc/63/95/92/949639592.db2.gz JLCLKHVEGWFBGU-GFCCVEGCSA-N -1 1 384.419 1.860 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC(C)(F)F)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576168458 949642036 /nfs/dbraw/zinc/64/20/36/949642036.db2.gz UQABQVHDZIZVTR-PWSUYJOCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC(C)(F)F)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576168458 949642053 /nfs/dbraw/zinc/64/20/53/949642053.db2.gz UQABQVHDZIZVTR-PWSUYJOCSA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CC12CCCC2 ZINC001573815214 949646447 /nfs/dbraw/zinc/64/64/47/949646447.db2.gz GWCFMQVHRBPROF-OLZOCXBDSA-N -1 1 384.488 1.602 20 0 GDADMM C[C@H]1CCCN(C(=O)C2CCOCC2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576168832 949650340 /nfs/dbraw/zinc/65/03/40/949650340.db2.gz WEBNLPPNBPZNMB-SWLSCSKDSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H]1CCCN(C(=O)C2CCOCC2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576168832 949650349 /nfs/dbraw/zinc/65/03/49/949650349.db2.gz WEBNLPPNBPZNMB-SWLSCSKDSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H]1CCCN(C(=O)C2CCOCC2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576168834 949650482 /nfs/dbraw/zinc/65/04/82/949650482.db2.gz WEBNLPPNBPZNMB-WFASDCNBSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H]1CCCN(C(=O)C2CCOCC2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576168834 949650490 /nfs/dbraw/zinc/65/04/90/949650490.db2.gz WEBNLPPNBPZNMB-WFASDCNBSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H]1CCCC[C@@H]1CC(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001576168875 949653020 /nfs/dbraw/zinc/65/30/20/949653020.db2.gz HBPKFYPWTYOPPE-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCCC[C@@H]1CC(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001576168875 949653029 /nfs/dbraw/zinc/65/30/29/949653029.db2.gz HBPKFYPWTYOPPE-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@]1(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)CC2)CCc2ccccc21 ZINC001575548194 949665887 /nfs/dbraw/zinc/66/58/87/949665887.db2.gz TUSQWEGWCHIPND-HXUWFJFHSA-N -1 1 390.451 1.209 20 0 GDADMM C[C@@]1(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)CC2)CCc2ccccc21 ZINC001575548194 949665902 /nfs/dbraw/zinc/66/59/02/949665902.db2.gz TUSQWEGWCHIPND-HXUWFJFHSA-N -1 1 390.451 1.209 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CCC(C)(F)F)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575877468 949667866 /nfs/dbraw/zinc/66/78/66/949667866.db2.gz ZVJGVQLQIKDSPX-GHMZBOCLSA-N -1 1 380.403 1.566 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CCC(C)(F)F)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575877468 949667877 /nfs/dbraw/zinc/66/78/77/949667877.db2.gz ZVJGVQLQIKDSPX-GHMZBOCLSA-N -1 1 380.403 1.566 20 0 GDADMM C[C@H]1CCCN(C(=O)C2CC3(CC3)C2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576169440 949676208 /nfs/dbraw/zinc/67/62/08/949676208.db2.gz XVWSHNPVYXBXBU-SWLSCSKDSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@H]1CCCN(C(=O)C2CC3(CC3)C2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576169440 949676222 /nfs/dbraw/zinc/67/62/22/949676222.db2.gz XVWSHNPVYXBXBU-SWLSCSKDSA-N -1 1 382.472 1.886 20 0 GDADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CCC1CCCC1 ZINC001573817136 949694039 /nfs/dbraw/zinc/69/40/39/949694039.db2.gz XNGLLWURFLDDJI-AWEZNQCLSA-N -1 1 386.504 1.992 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@H]1CCCC1(F)F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574716430 949694054 /nfs/dbraw/zinc/69/40/54/949694054.db2.gz OJQSEVWBABAWJG-GHMZBOCLSA-N -1 1 380.403 1.163 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CCC(F)(F)F)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575880648 949703094 /nfs/dbraw/zinc/70/30/94/949703094.db2.gz VEVFAPRFVJBNOS-UWVGGRQHSA-N -1 1 384.366 1.473 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CCC(F)(F)F)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575880648 949703110 /nfs/dbraw/zinc/70/31/10/949703110.db2.gz VEVFAPRFVJBNOS-UWVGGRQHSA-N -1 1 384.366 1.473 20 0 GDADMM C[C@H](CNC(=O)[C@]12C[C@H]1COC2)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574959078 949703223 /nfs/dbraw/zinc/70/32/23/949703223.db2.gz YHNNVXVZJUDSCO-KXEKKFMESA-N -1 1 383.865 1.177 20 0 GDADMM C[C@H](CNC(=O)[C@]12C[C@H]1COC2)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574959078 949703239 /nfs/dbraw/zinc/70/32/39/949703239.db2.gz YHNNVXVZJUDSCO-KXEKKFMESA-N -1 1 383.865 1.177 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cc[nH]c(=O)c1 ZINC001573817344 949704516 /nfs/dbraw/zinc/70/45/16/949704516.db2.gz ZOZCMSITAVJRRH-LBPRGKRZSA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cc[nH]c(=O)c1 ZINC001573817344 949704532 /nfs/dbraw/zinc/70/45/32/949704532.db2.gz ZOZCMSITAVJRRH-LBPRGKRZSA-N -1 1 383.416 1.014 20 0 GDADMM C[C@H](CC(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1)c1ccccc1F ZINC001574478401 949710375 /nfs/dbraw/zinc/71/03/75/949710375.db2.gz XKSOISCIUWNYNN-GFCCVEGCSA-N -1 1 384.419 1.860 20 0 GDADMM C[C@H](CC(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1)c1ccccc1F ZINC001574478401 949710390 /nfs/dbraw/zinc/71/03/90/949710390.db2.gz XKSOISCIUWNYNN-GFCCVEGCSA-N -1 1 384.419 1.860 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CC[C@H]1CCOC1 ZINC001573818033 949713368 /nfs/dbraw/zinc/71/33/68/949713368.db2.gz FESAEZKOEZUPSP-GXTWGEPZSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CC[C@H]1CCOC1 ZINC001573818033 949713383 /nfs/dbraw/zinc/71/33/83/949713383.db2.gz FESAEZKOEZUPSP-GXTWGEPZSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@]1(C)CCCOC1 ZINC001575557343 949717591 /nfs/dbraw/zinc/71/75/91/949717591.db2.gz HSZSKWJUSXIRJL-FZKQIMNGSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@]1(C)CCCOC1 ZINC001575557343 949717602 /nfs/dbraw/zinc/71/76/02/949717602.db2.gz HSZSKWJUSXIRJL-FZKQIMNGSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@@H]1CCCC[C@H]1C(=O)NC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576170589 949722598 /nfs/dbraw/zinc/72/25/98/949722598.db2.gz MCOVPFGABIKWJU-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCCC[C@H]1C(=O)NC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576170589 949722614 /nfs/dbraw/zinc/72/26/14/949722614.db2.gz MCOVPFGABIKWJU-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccsc1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574960275 949724767 /nfs/dbraw/zinc/72/47/67/949724767.db2.gz WBBZCLDIMFBGMN-WCFLWFBJSA-N -1 1 384.469 1.108 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574960220 949726188 /nfs/dbraw/zinc/72/61/88/949726188.db2.gz VRFKVYZVRMFPEO-FPMFFAJLSA-N -1 1 379.428 1.020 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574960220 949726207 /nfs/dbraw/zinc/72/62/07/949726207.db2.gz VRFKVYZVRMFPEO-FPMFFAJLSA-N -1 1 379.428 1.020 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CCC(F)(F)F)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575881662 949727321 /nfs/dbraw/zinc/72/73/21/949727321.db2.gz ZKYZFLCDBJUKDS-UWVGGRQHSA-N -1 1 384.366 1.473 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H]1C[C@@H]1C(F)F ZINC001573819011 949744761 /nfs/dbraw/zinc/74/47/61/949744761.db2.gz QVRDIVNXZWXLTE-ATZCPNFKSA-N -1 1 380.403 1.501 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H]1C[C@@H]1C(F)F ZINC001573819011 949744773 /nfs/dbraw/zinc/74/47/73/949744773.db2.gz QVRDIVNXZWXLTE-ATZCPNFKSA-N -1 1 380.403 1.501 20 0 GDADMM C[C@H]1CCCC[C@@H]1C(=O)N1CCC(N(C)c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001576171125 949751180 /nfs/dbraw/zinc/75/11/80/949751180.db2.gz ORUOMVDIXPMAOE-ZFWWWQNUSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CCCC[C@@H]1C(=O)N1CCC(N(C)c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001576171125 949751203 /nfs/dbraw/zinc/75/12/03/949751203.db2.gz ORUOMVDIXPMAOE-ZFWWWQNUSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](NC(=O)CCc1ccccc1F)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575277510 949751817 /nfs/dbraw/zinc/75/18/17/949751817.db2.gz QOVJCUTXHKJFNX-RYUDHWBXSA-N -1 1 384.419 1.734 20 0 GDADMM C[C@H](NC(=O)CCc1ccccc1F)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575277510 949751825 /nfs/dbraw/zinc/75/18/25/949751825.db2.gz QOVJCUTXHKJFNX-RYUDHWBXSA-N -1 1 384.419 1.734 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cc(Cl)no1 ZINC001573819756 949752545 /nfs/dbraw/zinc/75/25/45/949752545.db2.gz UTRFHDNXIBTSBT-SNVBAGLBSA-N -1 1 391.823 1.555 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cc(Cl)no1 ZINC001573819756 949752558 /nfs/dbraw/zinc/75/25/58/949752558.db2.gz UTRFHDNXIBTSBT-SNVBAGLBSA-N -1 1 391.823 1.555 20 0 GDADMM C[C@H]1CC[C@H](C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)[C@H]2C)CC1 ZINC001575882080 949753208 /nfs/dbraw/zinc/75/32/08/949753208.db2.gz GAYIMOGIHNPALJ-AJNGGQMLSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H]1CC[C@H](C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)[C@H]2C)CC1 ZINC001575882080 949753225 /nfs/dbraw/zinc/75/32/25/949753225.db2.gz GAYIMOGIHNPALJ-AJNGGQMLSA-N -1 1 384.488 1.957 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574137558 949762410 /nfs/dbraw/zinc/76/24/10/949762410.db2.gz VVGWZWQTRVBOFR-KBPBESRZSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574137558 949762423 /nfs/dbraw/zinc/76/24/23/949762423.db2.gz VVGWZWQTRVBOFR-KBPBESRZSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)NC[C@@H]1COCCN1c1nccnc1-c1nnn[n-]1 ZINC001574138431 949786627 /nfs/dbraw/zinc/78/66/27/949786627.db2.gz CGOHWNQVPVJQSB-ZIAGYGMSSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)NC[C@@H]1COCCN1c1nccnc1-c1nn[n-]n1 ZINC001574138431 949786651 /nfs/dbraw/zinc/78/66/51/949786651.db2.gz CGOHWNQVPVJQSB-ZIAGYGMSSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccc(Cl)[nH]1 ZINC001573822377 949792687 /nfs/dbraw/zinc/79/26/87/949792687.db2.gz IDIYFANGVQQUHV-NSHDSACASA-N -1 1 389.851 1.895 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccc(Cl)[nH]1 ZINC001573822377 949792710 /nfs/dbraw/zinc/79/27/10/949792710.db2.gz IDIYFANGVQQUHV-NSHDSACASA-N -1 1 389.851 1.895 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1 ZINC001574138464 949794731 /nfs/dbraw/zinc/79/47/31/949794731.db2.gz CXNXVQOVGCGYNL-KQTLUZQSSA-N -1 1 384.488 1.955 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1 ZINC001574138464 949794741 /nfs/dbraw/zinc/79/47/41/949794741.db2.gz CXNXVQOVGCGYNL-KQTLUZQSSA-N -1 1 384.488 1.955 20 0 GDADMM CC(C)(C)[C@H](NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1ccccc1 ZINC001573822626 949795431 /nfs/dbraw/zinc/79/54/31/949795431.db2.gz KZYMKTSRMDXPIA-CQSZACIVSA-N -1 1 383.412 1.033 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccncc1 ZINC001574481744 949798689 /nfs/dbraw/zinc/79/86/89/949798689.db2.gz URDMRZGYCSOZDF-GXTWGEPZSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccncc1 ZINC001574481744 949798707 /nfs/dbraw/zinc/79/87/07/949798707.db2.gz URDMRZGYCSOZDF-GXTWGEPZSA-N -1 1 379.428 1.258 20 0 GDADMM CC1(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(c2nccnc2-c2nnn[n-]2)C3)CCCC1 ZINC001575561081 949804236 /nfs/dbraw/zinc/80/42/36/949804236.db2.gz ZLFFILYXUAWRDJ-IHRRRGAJSA-N -1 1 382.472 1.711 20 0 GDADMM CC1(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(c2nccnc2-c2nn[n-]n2)C3)CCCC1 ZINC001575561081 949804256 /nfs/dbraw/zinc/80/42/56/949804256.db2.gz ZLFFILYXUAWRDJ-IHRRRGAJSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@@H]1CCCC[C@H]1C(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001576172403 949805339 /nfs/dbraw/zinc/80/53/39/949805339.db2.gz UPOXIURHGXXGMU-APIJFGDWSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H]1CCCC[C@H]1C(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001576172403 949805361 /nfs/dbraw/zinc/80/53/61/949805361.db2.gz UPOXIURHGXXGMU-APIJFGDWSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H](CNC(=O)c1c(F)cc(F)cc1F)CNc1nccnc1-c1nnn[n-]1 ZINC001574965646 949806093 /nfs/dbraw/zinc/80/60/93/949806093.db2.gz IMWNTCBQNKZTCT-MRVPVSSYSA-N -1 1 392.345 1.552 20 0 GDADMM C[C@@H](CNC(=O)c1c(F)cc(F)cc1F)CNc1nccnc1-c1nn[n-]n1 ZINC001574965646 949806110 /nfs/dbraw/zinc/80/61/10/949806110.db2.gz IMWNTCBQNKZTCT-MRVPVSSYSA-N -1 1 392.345 1.552 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001573823030 949811762 /nfs/dbraw/zinc/81/17/62/949811762.db2.gz QBPWGBJOSZFNQB-NDBYEHHHSA-N -1 1 386.460 1.167 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001573823030 949811774 /nfs/dbraw/zinc/81/17/74/949811774.db2.gz QBPWGBJOSZFNQB-NDBYEHHHSA-N -1 1 386.460 1.167 20 0 GDADMM C[C@@H](CNC(=O)c1c(F)cccc1Cl)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574965814 949818738 /nfs/dbraw/zinc/81/87/38/949818738.db2.gz MLQSJVMZFKCOTE-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CNC(=O)c1c(F)cccc1Cl)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574965814 949818768 /nfs/dbraw/zinc/81/87/68/949818768.db2.gz MLQSJVMZFKCOTE-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM CCCN(C(=O)[C@@H](C)N[C@@H](Cc1ccccc1)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC001589658747 949829972 /nfs/dbraw/zinc/82/99/72/949829972.db2.gz FWMHCQZSZVPWGY-OIISXLGYSA-N -1 1 396.509 1.086 20 0 GDADMM C[C@@H](CN(C)C(=O)CCCc1ccccn1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574722151 949832082 /nfs/dbraw/zinc/83/20/82/949832082.db2.gz QDQDBFLOMITQJT-ZDUSSCGKSA-N -1 1 381.444 1.333 20 0 GDADMM C[C@@H](CN(C)C(=O)CCCc1ccccn1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574722151 949832101 /nfs/dbraw/zinc/83/21/01/949832101.db2.gz QDQDBFLOMITQJT-ZDUSSCGKSA-N -1 1 381.444 1.333 20 0 GDADMM CC1(C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)CC(F)(F)C1 ZINC001575562776 949832293 /nfs/dbraw/zinc/83/22/93/949832293.db2.gz IPKCYXUXJIJSEM-JTQLQIEISA-N -1 1 378.387 1.177 20 0 GDADMM CC1(C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)CC(F)(F)C1 ZINC001575562776 949832315 /nfs/dbraw/zinc/83/23/15/949832315.db2.gz IPKCYXUXJIJSEM-JTQLQIEISA-N -1 1 378.387 1.177 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)c1ccco1 ZINC001574483882 949842564 /nfs/dbraw/zinc/84/25/64/949842564.db2.gz OGPVQVXYAVHMJA-MELADBBJSA-N -1 1 394.439 1.481 20 0 GDADMM CC(C)(C)C1CC(C(=O)NCCN(c2nccnc2-c2nnn[n-]2)C2CC2)C1 ZINC001573825059 949865357 /nfs/dbraw/zinc/86/53/57/949865357.db2.gz KTNUUXBKZBTVBP-UHFFFAOYSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)C1CC(C(=O)NCCN(c2nccnc2-c2nn[n-]n2)C2CC2)C1 ZINC001573825059 949865375 /nfs/dbraw/zinc/86/53/75/949865375.db2.gz KTNUUXBKZBTVBP-UHFFFAOYSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C(=O)N[C@H]2CC[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)CCOCC1 ZINC001575565968 949886693 /nfs/dbraw/zinc/88/66/93/949886693.db2.gz ZEYDHDQLJOALFA-STQMWFEESA-N -1 1 386.460 1.170 20 0 GDADMM CC1(C(=O)N[C@H]2CC[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)CCOCC1 ZINC001575565968 949886706 /nfs/dbraw/zinc/88/67/06/949886706.db2.gz ZEYDHDQLJOALFA-STQMWFEESA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](C)NC(=O)Cc1cc(C2CC2)no1 ZINC001575283938 949887386 /nfs/dbraw/zinc/88/73/86/949887386.db2.gz RQFDGNWUDATQFQ-ZJUUUORDSA-N -1 1 383.416 1.070 20 0 GDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](C)NC(=O)Cc1cc(C2CC2)no1 ZINC001575283938 949887412 /nfs/dbraw/zinc/88/74/12/949887412.db2.gz RQFDGNWUDATQFQ-ZJUUUORDSA-N -1 1 383.416 1.070 20 0 GDADMM C[C@H](CC(=O)N1CCCCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001574484627 949891864 /nfs/dbraw/zinc/89/18/64/949891864.db2.gz KXQPJRFJHATBJD-UKRRQHHQSA-N -1 1 384.488 1.698 20 0 GDADMM C[C@H](CC(=O)N1CCCCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001574484626 949893609 /nfs/dbraw/zinc/89/36/09/949893609.db2.gz KXQPJRFJHATBJD-HIFRSBDPSA-N -1 1 384.488 1.698 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001574484708 949897460 /nfs/dbraw/zinc/89/74/60/949897460.db2.gz MJSQRRYDGLEJLS-ZJUUUORDSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574484708 949897481 /nfs/dbraw/zinc/89/74/81/949897481.db2.gz MJSQRRYDGLEJLS-ZJUUUORDSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](CC(=O)N1CCCO[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)C1CC1 ZINC001574484771 949897986 /nfs/dbraw/zinc/89/79/86/949897986.db2.gz NTOAYKONNGDHCQ-OCCSQVGLSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H](CC(=O)N1CCCO[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001574484771 949898011 /nfs/dbraw/zinc/89/80/11/949898011.db2.gz NTOAYKONNGDHCQ-OCCSQVGLSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cc(F)c[nH]2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576178697 949898572 /nfs/dbraw/zinc/89/85/72/949898572.db2.gz CMZAMQRRVWCVMO-IINYFYTJSA-N -1 1 385.407 1.477 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cc(F)c[nH]2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576178697 949898596 /nfs/dbraw/zinc/89/85/96/949898596.db2.gz CMZAMQRRVWCVMO-IINYFYTJSA-N -1 1 385.407 1.477 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)CC(C)(C)C ZINC001574484867 949907800 /nfs/dbraw/zinc/90/78/00/949907800.db2.gz QILZYEKCMJUDRX-KBPBESRZSA-N -1 1 386.504 1.944 20 0 GDADMM C[C@]1(C(=O)N[C@@H]2CCN(c3snc(Cl)c3-c3nnn[n-]3)C2)CCOC1 ZINC001575569311 949912211 /nfs/dbraw/zinc/91/22/11/949912211.db2.gz IOLQAYWDLKRQAV-CLAHSXSESA-N -1 1 383.865 1.098 20 0 GDADMM C[C@]1(C(=O)N[C@@H]2CCN(c3snc(Cl)c3-c3nn[n-]n3)C2)CCOC1 ZINC001575569311 949912227 /nfs/dbraw/zinc/91/22/27/949912227.db2.gz IOLQAYWDLKRQAV-CLAHSXSESA-N -1 1 383.865 1.098 20 0 GDADMM C[C@@]1(C(=O)N[C@@H]2CCN(c3snc(Cl)c3-c3nnn[n-]3)C2)CCOC1 ZINC001575569314 949912602 /nfs/dbraw/zinc/91/26/02/949912602.db2.gz IOLQAYWDLKRQAV-XLKFXECMSA-N -1 1 383.865 1.098 20 0 GDADMM C[C@@]1(C(=O)N[C@@H]2CCN(c3snc(Cl)c3-c3nn[n-]n3)C2)CCOC1 ZINC001575569314 949912618 /nfs/dbraw/zinc/91/26/18/949912618.db2.gz IOLQAYWDLKRQAV-XLKFXECMSA-N -1 1 383.865 1.098 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC001574485018 949918788 /nfs/dbraw/zinc/91/87/88/949918788.db2.gz USJZJJGQYQSNRY-STQMWFEESA-N -1 1 382.428 1.846 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC001574485018 949918813 /nfs/dbraw/zinc/91/88/13/949918813.db2.gz USJZJJGQYQSNRY-STQMWFEESA-N -1 1 382.428 1.846 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)n1cccc1 ZINC001574485274 949922821 /nfs/dbraw/zinc/92/28/21/949922821.db2.gz WFSWIVIGMBGWIG-UONOGXRCSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)n1cccc1 ZINC001574485274 949922839 /nfs/dbraw/zinc/92/28/39/949922839.db2.gz WFSWIVIGMBGWIG-UONOGXRCSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@H](CC(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)n1cccc1 ZINC001574485700 949929829 /nfs/dbraw/zinc/92/98/29/949929829.db2.gz ZCACDBUMYCIECX-CQSZACIVSA-N -1 1 381.444 1.148 20 0 GDADMM C[C@H](CC(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)n1cccc1 ZINC001574487732 949934760 /nfs/dbraw/zinc/93/47/60/949934760.db2.gz BLCBNIQITQTECO-TZMCWYRMSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](CC(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)n1cccc1 ZINC001574487732 949934787 /nfs/dbraw/zinc/93/47/87/949934787.db2.gz BLCBNIQITQTECO-TZMCWYRMSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001574488028 949938913 /nfs/dbraw/zinc/93/89/13/949938913.db2.gz CELBPIALKRLMAE-MGPQQGTHSA-N -1 1 381.444 1.368 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001574488028 949938933 /nfs/dbraw/zinc/93/89/33/949938933.db2.gz CELBPIALKRLMAE-MGPQQGTHSA-N -1 1 381.444 1.368 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574146568 949946764 /nfs/dbraw/zinc/94/67/64/949946764.db2.gz ZRXLRQKFWWMNAU-CQSZACIVSA-N -1 1 388.476 1.147 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574146568 949946785 /nfs/dbraw/zinc/94/67/85/949946785.db2.gz ZRXLRQKFWWMNAU-CQSZACIVSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccco1 ZINC001574488437 949949629 /nfs/dbraw/zinc/94/96/29/949949629.db2.gz GFDXTRAPHDQKMW-OUCADQQQSA-N -1 1 382.428 1.702 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574488437 949949652 /nfs/dbraw/zinc/94/96/52/949949652.db2.gz GFDXTRAPHDQKMW-OUCADQQQSA-N -1 1 382.428 1.702 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2ccccc2F)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575890867 949969546 /nfs/dbraw/zinc/96/95/46/949969546.db2.gz APVMVJQQSYXCML-BXUZGUMPSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2ccccc2F)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575890867 949969555 /nfs/dbraw/zinc/96/95/55/949969555.db2.gz APVMVJQQSYXCML-BXUZGUMPSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2ccccc2F)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575890870 949970191 /nfs/dbraw/zinc/97/01/91/949970191.db2.gz APVMVJQQSYXCML-SMDDNHRTSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2ccccc2F)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575890870 949970211 /nfs/dbraw/zinc/97/02/11/949970211.db2.gz APVMVJQQSYXCML-SMDDNHRTSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ccc(F)cc2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575891081 949984256 /nfs/dbraw/zinc/98/42/56/949984256.db2.gz DSTXTYPXBQTEBR-RISCZKNCSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ccc(F)cc2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575891081 949984277 /nfs/dbraw/zinc/98/42/77/949984277.db2.gz DSTXTYPXBQTEBR-RISCZKNCSA-N -1 1 382.403 1.583 20 0 GDADMM CC(C)(C)CC(=O)N1CCC2(C1)CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001573831005 949984565 /nfs/dbraw/zinc/98/45/65/949984565.db2.gz QKNCQOGIPMOORW-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)(C)CC(=O)N1CCC2(C1)CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001573831005 949984586 /nfs/dbraw/zinc/98/45/86/949984586.db2.gz QKNCQOGIPMOORW-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574490319 949986214 /nfs/dbraw/zinc/98/62/14/949986214.db2.gz PUMMNSNIEVKZNC-IIAWOOMASA-N -1 1 392.467 1.531 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ccc(Cl)cc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574728546 949988272 /nfs/dbraw/zinc/98/82/72/949988272.db2.gz CSTYCQPBBWYROW-NSHDSACASA-N -1 1 386.847 1.812 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ccc(Cl)cc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574728546 949988289 /nfs/dbraw/zinc/98/82/89/949988289.db2.gz CSTYCQPBBWYROW-NSHDSACASA-N -1 1 386.847 1.812 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ccc(Cl)[nH]2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575891251 949994261 /nfs/dbraw/zinc/99/42/61/949994261.db2.gz GYHZQFPSFOIYEK-ZJUUUORDSA-N -1 1 387.835 1.426 20 0 GDADMM C[C@@H](CC(=O)N1C[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1)C1CC1 ZINC001574490517 950003357 /nfs/dbraw/zinc/00/33/57/950003357.db2.gz UBLIXOWTFKIGEK-CFVMTHIKSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H](CC(=O)N1C[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1)C1CC1 ZINC001574490517 950003384 /nfs/dbraw/zinc/00/33/84/950003384.db2.gz UBLIXOWTFKIGEK-CFVMTHIKSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H](NC(=O)Cc1ccc(Cl)cc1)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575289792 950004060 /nfs/dbraw/zinc/00/40/60/950004060.db2.gz BSCYCIMTDRFFGR-GHMZBOCLSA-N -1 1 386.847 1.858 20 0 GDADMM C[C@@H](NC(=O)Cc1ccc(Cl)cc1)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575289792 950004082 /nfs/dbraw/zinc/00/40/82/950004082.db2.gz BSCYCIMTDRFFGR-GHMZBOCLSA-N -1 1 386.847 1.858 20 0 GDADMM C[C@H]1CCN(C(=O)Cc2ccco2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576181995 950028374 /nfs/dbraw/zinc/02/83/74/950028374.db2.gz KESBHNWOSMCACT-QWHCGFSZSA-N -1 1 382.428 1.389 20 0 GDADMM C[C@H]1CCN(C(=O)Cc2ccco2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576181995 950028390 /nfs/dbraw/zinc/02/83/90/950028390.db2.gz KESBHNWOSMCACT-QWHCGFSZSA-N -1 1 382.428 1.389 20 0 GDADMM C[C@H]1CCN(C(=O)C2(C(F)F)CC2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576182303 950046652 /nfs/dbraw/zinc/04/66/52/950046652.db2.gz ZBOFZAVJGVUQGE-QWRGUYRKSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H]1CCN(C(=O)C2(C(F)F)CC2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576182303 950046674 /nfs/dbraw/zinc/04/66/74/950046674.db2.gz ZBOFZAVJGVUQGE-QWRGUYRKSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H](CN(C)C(=O)Cn1ccnc1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574731409 950050856 /nfs/dbraw/zinc/05/08/56/950050856.db2.gz DERMMIQMIZANHB-MRVPVSSYSA-N -1 1 381.853 1.132 20 0 GDADMM C[C@H](CN(C)C(=O)Cn1ccnc1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574731409 950050872 /nfs/dbraw/zinc/05/08/72/950050872.db2.gz DERMMIQMIZANHB-MRVPVSSYSA-N -1 1 381.853 1.132 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2)C1CC1 ZINC001574491936 950052687 /nfs/dbraw/zinc/05/26/87/950052687.db2.gz HDUAHAGJGGMCCV-GXTWGEPZSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2)C1CC1 ZINC001574491936 950052709 /nfs/dbraw/zinc/05/27/09/950052709.db2.gz HDUAHAGJGGMCCV-GXTWGEPZSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](CC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C(F)(F)F ZINC001574492080 950060480 /nfs/dbraw/zinc/06/04/80/950060480.db2.gz IYVWVMOAUQBFRG-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](CC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C(F)(F)F ZINC001574492080 950060499 /nfs/dbraw/zinc/06/04/99/950060499.db2.gz IYVWVMOAUQBFRG-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C)C1CC1 ZINC001574492126 950063388 /nfs/dbraw/zinc/06/33/88/950063388.db2.gz JNEOFRZTNCDXNR-DOMZBBRYSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C)C1CC1 ZINC001574492126 950063413 /nfs/dbraw/zinc/06/34/13/950063413.db2.gz JNEOFRZTNCDXNR-DOMZBBRYSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cncs2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576183068 950077793 /nfs/dbraw/zinc/07/77/93/950077793.db2.gz QRDWXUZNZMQLGE-PWSUYJOCSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cncs2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576183068 950077814 /nfs/dbraw/zinc/07/78/14/950077814.db2.gz QRDWXUZNZMQLGE-PWSUYJOCSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccn(C)c2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576183435 950093643 /nfs/dbraw/zinc/09/36/43/950093643.db2.gz RWDQFZRIYZWLRI-DOMZBBRYSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccn(C)c2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576183435 950093664 /nfs/dbraw/zinc/09/36/64/950093664.db2.gz RWDQFZRIYZWLRI-DOMZBBRYSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001574492642 950098420 /nfs/dbraw/zinc/09/84/20/950098420.db2.gz NYSVIURVWBDKRJ-KGLIPLIRSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001574492642 950098441 /nfs/dbraw/zinc/09/84/41/950098441.db2.gz NYSVIURVWBDKRJ-KGLIPLIRSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccc[nH]2)[C@@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576183749 950102466 /nfs/dbraw/zinc/10/24/66/950102466.db2.gz UJENTDXQTCNRHD-SWLSCSKDSA-N -1 1 381.444 1.728 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccc[nH]2)[C@@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576183749 950102479 /nfs/dbraw/zinc/10/24/79/950102479.db2.gz UJENTDXQTCNRHD-SWLSCSKDSA-N -1 1 381.444 1.728 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2ccoc2Cl)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575896364 950127641 /nfs/dbraw/zinc/12/76/41/950127641.db2.gz MDDJRNXKTYTNOA-ONGXEEELSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2ccoc2Cl)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575896364 950127645 /nfs/dbraw/zinc/12/76/45/950127645.db2.gz MDDJRNXKTYTNOA-ONGXEEELSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574734405 950133745 /nfs/dbraw/zinc/13/37/45/950133745.db2.gz LURFGTVOSKJAOU-HXFLIBJXSA-N -1 1 383.865 1.128 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574734405 950133758 /nfs/dbraw/zinc/13/37/58/950133758.db2.gz LURFGTVOSKJAOU-HXFLIBJXSA-N -1 1 383.865 1.128 20 0 GDADMM CC(C)(C)CC[C@H](CO)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC001573842517 950148093 /nfs/dbraw/zinc/14/80/93/950148093.db2.gz FXLXMQQUBBNSGY-SNVBAGLBSA-N -1 1 387.893 1.986 20 0 GDADMM CC(C)(C)CC[C@H](CO)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC001573842517 950148116 /nfs/dbraw/zinc/14/81/16/950148116.db2.gz FXLXMQQUBBNSGY-SNVBAGLBSA-N -1 1 387.893 1.986 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cccn2C)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576184992 950150990 /nfs/dbraw/zinc/15/09/90/950150990.db2.gz YDVLYSSPPIWUDB-IUODEOHRSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cccn2C)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576184992 950151001 /nfs/dbraw/zinc/15/10/01/950151001.db2.gz YDVLYSSPPIWUDB-IUODEOHRSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccco2)[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576185062 950154351 /nfs/dbraw/zinc/15/43/51/950154351.db2.gz ZGPUMAMPUKMNRS-OLZOCXBDSA-N -1 1 382.428 1.415 20 0 GDADMM C[C@H]1CCN(C(=O)Cc2ccccc2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576185073 950154425 /nfs/dbraw/zinc/15/44/25/950154425.db2.gz ZBFZIBMCMMNAFT-GOEBONIOSA-N -1 1 392.467 1.796 20 0 GDADMM C[C@H]1CCN(C(=O)Cc2ccccc2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576185073 950154437 /nfs/dbraw/zinc/15/44/37/950154437.db2.gz ZBFZIBMCMMNAFT-GOEBONIOSA-N -1 1 392.467 1.796 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccco1 ZINC001574494242 950156448 /nfs/dbraw/zinc/15/64/48/950156448.db2.gz YBPDQRBMMUOVFZ-OLZOCXBDSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574494242 950156464 /nfs/dbraw/zinc/15/64/64/950156464.db2.gz YBPDQRBMMUOVFZ-OLZOCXBDSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cccnc2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576185123 950159443 /nfs/dbraw/zinc/15/94/43/950159443.db2.gz ZJMGCPXRTOLWED-WFASDCNBSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cccnc2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576185123 950159453 /nfs/dbraw/zinc/15/94/53/950159453.db2.gz ZJMGCPXRTOLWED-WFASDCNBSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@@H](CC(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1)[C@@H]1CCCO1 ZINC001574494574 950169114 /nfs/dbraw/zinc/16/91/14/950169114.db2.gz LMIPINALJPTJQQ-FZMZJTMJSA-N -1 1 376.486 1.434 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ccccc1O ZINC001574154994 950177400 /nfs/dbraw/zinc/17/74/00/950177400.db2.gz HOVHCVVOHJHBKM-GFCCVEGCSA-N -1 1 382.428 1.619 20 0 GDADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CCc1ccco1 ZINC001574155014 950182774 /nfs/dbraw/zinc/18/27/74/950182774.db2.gz HZCMJVLTOJLSQF-CYBMUJFWSA-N -1 1 384.444 1.247 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2sccc2F)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575900136 950190225 /nfs/dbraw/zinc/19/02/25/950190225.db2.gz CORCSLPMQGKJDN-KOLCDFICSA-N -1 1 388.432 1.645 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2sccc2F)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575900136 950190234 /nfs/dbraw/zinc/19/02/34/950190234.db2.gz CORCSLPMQGKJDN-KOLCDFICSA-N -1 1 388.432 1.645 20 0 GDADMM C[C@H]1CCN(C(=O)c2cncs2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576191481 950200102 /nfs/dbraw/zinc/20/01/02/950200102.db2.gz GWDGCKJOZKNASR-QWRGUYRKSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H]1CCN(C(=O)c2cncs2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576191481 950200115 /nfs/dbraw/zinc/20/01/15/950200115.db2.gz GWDGCKJOZKNASR-QWRGUYRKSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1C[C@@H]1c1ccccc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574740275 950225976 /nfs/dbraw/zinc/22/59/76/950225976.db2.gz DMIHKJBETUKRBW-YUELXQCFSA-N -1 1 378.440 1.719 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1C[C@@H]1c1ccccc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574740275 950225991 /nfs/dbraw/zinc/22/59/91/950225991.db2.gz DMIHKJBETUKRBW-YUELXQCFSA-N -1 1 378.440 1.719 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001573845573 950234616 /nfs/dbraw/zinc/23/46/16/950234616.db2.gz HIUGTNHXYHRJJM-BYNSBNAKSA-N -1 1 396.499 1.766 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NCCN(c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573845734 950237405 /nfs/dbraw/zinc/23/74/05/950237405.db2.gz JXYCGJXLYATYCB-GXTWGEPZSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NCCN(c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573845734 950237417 /nfs/dbraw/zinc/23/74/17/950237417.db2.gz JXYCGJXLYATYCB-GXTWGEPZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](CC(=O)NCC1(C)CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C1CC1 ZINC001574497940 950252354 /nfs/dbraw/zinc/25/23/54/950252354.db2.gz GRUDLQPNUHNJJA-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](CC(=O)NCC1(C)CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001574497940 950252370 /nfs/dbraw/zinc/25/23/70/950252370.db2.gz GRUDLQPNUHNJJA-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001573847013 950253543 /nfs/dbraw/zinc/25/35/43/950253543.db2.gz XGSUALGVNYIEEV-BYNSBNAKSA-N -1 1 396.499 1.624 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001573847013 950253562 /nfs/dbraw/zinc/25/35/62/950253562.db2.gz XGSUALGVNYIEEV-BYNSBNAKSA-N -1 1 396.499 1.624 20 0 GDADMM CC(C)(C)OC(=O)CC[C@H]1C[C@H](C(=O)Nc2n[nH]cc2-c2nnn[n-]2)CO1 ZINC001573850528 950273857 /nfs/dbraw/zinc/27/38/57/950273857.db2.gz KMGXQFQNOSPIAH-UWVGGRQHSA-N -1 1 377.405 1.055 20 0 GDADMM CC(C)(C)OC(=O)CC[C@H]1C[C@H](C(=O)Nc2n[nH]cc2-c2nn[n-]n2)CO1 ZINC001573850528 950273874 /nfs/dbraw/zinc/27/38/74/950273874.db2.gz KMGXQFQNOSPIAH-UWVGGRQHSA-N -1 1 377.405 1.055 20 0 GDADMM C[C@H]1CCN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C[C@@H]1O ZINC001576192940 950274962 /nfs/dbraw/zinc/27/49/62/950274962.db2.gz RPUAQVAUVRGXLB-GWCFXTLKSA-N -1 1 386.391 1.426 20 0 GDADMM CC(C)(C)OC(=O)CC[C@@H]1C[C@H](C(=O)Nc2n[nH]cc2-c2nnn[n-]2)CO1 ZINC001573850530 950275817 /nfs/dbraw/zinc/27/58/17/950275817.db2.gz KMGXQFQNOSPIAH-VHSXEESVSA-N -1 1 377.405 1.055 20 0 GDADMM CC(C)(C)OC(=O)CC[C@@H]1C[C@H](C(=O)Nc2n[nH]cc2-c2nn[n-]n2)CO1 ZINC001573850530 950275838 /nfs/dbraw/zinc/27/58/38/950275838.db2.gz KMGXQFQNOSPIAH-VHSXEESVSA-N -1 1 377.405 1.055 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H](O)CNc1nc(-c2nn[n-]n2)c(Cl)s1)C1CC1 ZINC001574498519 950278557 /nfs/dbraw/zinc/27/85/57/950278557.db2.gz OMWATBMNCYBVBO-IONNQARKSA-N -1 1 385.881 1.302 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](O)CNc1nccnc1-c1nnn[n-]1)C1CCCCC1 ZINC001574498862 950288536 /nfs/dbraw/zinc/28/85/36/950288536.db2.gz QMNKQTDHJHRXCJ-JSGCOSHPSA-N -1 1 388.476 1.152 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](O)CNc1nccnc1-c1nn[n-]n1)C1CCCCC1 ZINC001574498862 950288552 /nfs/dbraw/zinc/28/85/52/950288552.db2.gz QMNKQTDHJHRXCJ-JSGCOSHPSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)(C)OC(=O)COc1ccc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)cc1 ZINC001573851400 950293205 /nfs/dbraw/zinc/29/32/05/950293205.db2.gz XPLQJVUQKAGGTD-UHFFFAOYSA-N -1 1 385.384 1.563 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)Cc1ccsc1 ZINC001574159267 950302928 /nfs/dbraw/zinc/30/29/28/950302928.db2.gz VIWGJOCKOKNLQB-ZDUSSCGKSA-N -1 1 386.485 1.904 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)Cc1ccsc1 ZINC001574159267 950302950 /nfs/dbraw/zinc/30/29/50/950302950.db2.gz VIWGJOCKOKNLQB-ZDUSSCGKSA-N -1 1 386.485 1.904 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cc(F)c[nH]2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576193441 950302901 /nfs/dbraw/zinc/30/29/01/950302901.db2.gz UXGYPJIAURGSOE-GHMZBOCLSA-N -1 1 385.407 1.334 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cc(F)c[nH]2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576193441 950302925 /nfs/dbraw/zinc/30/29/25/950302925.db2.gz UXGYPJIAURGSOE-GHMZBOCLSA-N -1 1 385.407 1.334 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001573853212 950324305 /nfs/dbraw/zinc/32/43/05/950324305.db2.gz OGPARSQZELEQGC-JTQLQIEISA-N -1 1 388.432 1.805 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001574501493 950334929 /nfs/dbraw/zinc/33/49/29/950334929.db2.gz DXJBFTMIQPYWON-GDBMZVCRSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001574501493 950334945 /nfs/dbraw/zinc/33/49/45/950334945.db2.gz DXJBFTMIQPYWON-GDBMZVCRSA-N -1 1 392.467 1.936 20 0 GDADMM CC1(C(=O)NCCCCCCNc2nccnc2-c2nnn[n-]2)CCOCC1 ZINC001575595175 950354701 /nfs/dbraw/zinc/35/47/01/950354701.db2.gz YHGLAPBOVWBWNO-UHFFFAOYSA-N -1 1 388.476 1.562 20 0 GDADMM CC1(C(=O)NCCCCCCNc2nccnc2-c2nn[n-]n2)CCOCC1 ZINC001575595175 950354722 /nfs/dbraw/zinc/35/47/22/950354722.db2.gz YHGLAPBOVWBWNO-UHFFFAOYSA-N -1 1 388.476 1.562 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H](C)c1ccco1 ZINC001574161473 950357890 /nfs/dbraw/zinc/35/78/90/950357890.db2.gz UYYZFDYZCPIURH-OLZOCXBDSA-N -1 1 384.444 1.996 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)c1ccco1 ZINC001574161473 950357909 /nfs/dbraw/zinc/35/79/09/950357909.db2.gz UYYZFDYZCPIURH-OLZOCXBDSA-N -1 1 384.444 1.996 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H](C)n1cccn1 ZINC001574161761 950362393 /nfs/dbraw/zinc/36/23/93/950362393.db2.gz WRRGUPDGNCXVOZ-STQMWFEESA-N -1 1 384.448 1.057 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)n1cccn1 ZINC001574161761 950362422 /nfs/dbraw/zinc/36/24/22/950362422.db2.gz WRRGUPDGNCXVOZ-STQMWFEESA-N -1 1 384.448 1.057 20 0 GDADMM CC1(C(=O)NC[C@H]2COCCN2c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC001575596203 950373971 /nfs/dbraw/zinc/37/39/71/950373971.db2.gz SIABBOMCMWVVSG-QMMMGPOBSA-N -1 1 383.865 1.098 20 0 GDADMM CC1(C(=O)NC[C@H]2COCCN2c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC001575596203 950373986 /nfs/dbraw/zinc/37/39/86/950373986.db2.gz SIABBOMCMWVVSG-QMMMGPOBSA-N -1 1 383.865 1.098 20 0 GDADMM CC1(C(=O)NC[C@H]2CN(c3nc(-c4nn[n-]n4)c(Cl)s3)CCO2)CC1 ZINC001575596822 950385771 /nfs/dbraw/zinc/38/57/71/950385771.db2.gz VRPGLBUBQGSROY-QMMMGPOBSA-N -1 1 383.865 1.098 20 0 GDADMM CC(C)(C)OC(=O)N1CCO[C@](C)(CNc2ncncc2-c2nn[n-]n2)C1 ZINC001573856542 950388273 /nfs/dbraw/zinc/38/82/73/950388273.db2.gz CBCNTJONJDYUKT-MRXNPFEDSA-N -1 1 376.421 1.095 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)o3)C[C@@H]2C1 ZINC001573856597 950391140 /nfs/dbraw/zinc/39/11/40/950391140.db2.gz FGZDTMQQJCUQJV-NEPJUHHUSA-N -1 1 388.428 1.789 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)o3)C[C@@H]2C1 ZINC001573856597 950391168 /nfs/dbraw/zinc/39/11/68/950391168.db2.gz FGZDTMQQJCUQJV-NEPJUHHUSA-N -1 1 388.428 1.789 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001574503022 950393408 /nfs/dbraw/zinc/39/34/08/950393408.db2.gz SFELGRBJXUCPEM-KGLIPLIRSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001574503022 950393429 /nfs/dbraw/zinc/39/34/29/950393429.db2.gz SFELGRBJXUCPEM-KGLIPLIRSA-N -1 1 381.444 1.052 20 0 GDADMM CC(C)(C)OC(=O)N1CCO[C@@](C)(CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573857094 950399415 /nfs/dbraw/zinc/39/94/15/950399415.db2.gz NQUFCHPFMVXLSJ-INIZCTEOSA-N -1 1 376.421 1.095 20 0 GDADMM CC(C)(C)OC(=O)N1CCO[C@@](C)(CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573857094 950399436 /nfs/dbraw/zinc/39/94/36/950399436.db2.gz NQUFCHPFMVXLSJ-INIZCTEOSA-N -1 1 376.421 1.095 20 0 GDADMM CC1(C(=O)NCC=CCNc2cnc(-c3nnn[n-]3)cn2)CCC(F)(F)CC1 ZINC001575597237 950402354 /nfs/dbraw/zinc/40/23/54/950402354.db2.gz ZPRYAJTVXVPXDQ-NSCUHMNNSA-N -1 1 392.414 1.957 20 0 GDADMM CC1(C(=O)NCC=CCNc2cnc(-c3nn[n-]n3)cn2)CCC(F)(F)CC1 ZINC001575597237 950402370 /nfs/dbraw/zinc/40/23/70/950402370.db2.gz ZPRYAJTVXVPXDQ-NSCUHMNNSA-N -1 1 392.414 1.957 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccccc1O ZINC001574163179 950419317 /nfs/dbraw/zinc/41/93/17/950419317.db2.gz QOZUXMDEBVYUEB-GFCCVEGCSA-N -1 1 382.428 1.619 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccccc1O ZINC001574163179 950419324 /nfs/dbraw/zinc/41/93/24/950419324.db2.gz QOZUXMDEBVYUEB-GFCCVEGCSA-N -1 1 382.428 1.619 20 0 GDADMM C[C@@H](CC(=O)NCC1CC(Nc2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001574504030 950422741 /nfs/dbraw/zinc/42/27/41/950422741.db2.gz ZKZRDFLOMDIMNY-HSBZDZAISA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](CC(=O)NCC1CC(Nc2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001574504030 950422795 /nfs/dbraw/zinc/42/27/95/950422795.db2.gz ZKZRDFLOMDIMNY-HSBZDZAISA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)n1cccc1 ZINC001574504016 950424853 /nfs/dbraw/zinc/42/48/53/950424853.db2.gz ZIAWXZAKIVJLDW-KBPBESRZSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)n1cccc1 ZINC001574504016 950424861 /nfs/dbraw/zinc/42/48/61/950424861.db2.gz ZIAWXZAKIVJLDW-KBPBESRZSA-N -1 1 381.444 1.195 20 0 GDADMM CC(C)(C)OC(=O)NC[C@@H](C(=O)Nc1n[nH]cc1-c1nnn[n-]1)c1ccccc1 ZINC001573860669 950427293 /nfs/dbraw/zinc/42/72/93/950427293.db2.gz LPTHUOHXKFAWSA-GFCCVEGCSA-N -1 1 398.427 1.837 20 0 GDADMM CC(C)(C)OC(=O)NC[C@@H](C(=O)Nc1n[nH]cc1-c1nn[n-]n1)c1ccccc1 ZINC001573860669 950427304 /nfs/dbraw/zinc/42/73/04/950427304.db2.gz LPTHUOHXKFAWSA-GFCCVEGCSA-N -1 1 398.427 1.837 20 0 GDADMM CC(C)(C)OC(=O)NC[C@H]1CCCN1C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001573860636 950428716 /nfs/dbraw/zinc/42/87/16/950428716.db2.gz KIDLACIUWXJEAL-GFCCVEGCSA-N -1 1 388.432 1.783 20 0 GDADMM CC(C)(C)OC(=O)NC[C@H]1CCCN1C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001573860636 950428728 /nfs/dbraw/zinc/42/87/28/950428728.db2.gz KIDLACIUWXJEAL-GFCCVEGCSA-N -1 1 388.432 1.783 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC(=O)c2coc(-c3nnn[n-]3)c2)C1(C)C ZINC001573861114 950440571 /nfs/dbraw/zinc/44/05/71/950440571.db2.gz UGIVHRZNNBYEPM-VXGBXAGGSA-N -1 1 376.417 1.881 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC(=O)c2coc(-c3nn[n-]n3)c2)C1(C)C ZINC001573861114 950440586 /nfs/dbraw/zinc/44/05/86/950440586.db2.gz UGIVHRZNNBYEPM-VXGBXAGGSA-N -1 1 376.417 1.881 20 0 GDADMM C[C@H](CC(=O)NCCN(c1cnc(-c2nnn[n-]2)cn1)C1CC1)c1ccco1 ZINC001574506700 950440790 /nfs/dbraw/zinc/44/07/90/950440790.db2.gz BVMLOLYHJOLLLC-GFCCVEGCSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](CC(=O)NCCN(c1cnc(-c2nn[n-]n2)cn1)C1CC1)c1ccco1 ZINC001574506700 950440804 /nfs/dbraw/zinc/44/08/04/950440804.db2.gz BVMLOLYHJOLLLC-GFCCVEGCSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](CC(=O)NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1)c1ccccc1 ZINC001574507147 950452104 /nfs/dbraw/zinc/45/21/04/950452104.db2.gz DUDORLHZMCZVFR-AWEZNQCLSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@@H](CC(=O)NCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1)C(F)(F)F ZINC001574507716 950462321 /nfs/dbraw/zinc/46/23/21/950462321.db2.gz HQCTURJPTZEOPC-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](CC(=O)NCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1)C(F)(F)F ZINC001574507716 950462332 /nfs/dbraw/zinc/46/23/32/950462332.db2.gz HQCTURJPTZEOPC-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)Nc2n[nH]cc2-c2nnn[n-]2)CC1 ZINC001573862214 950463247 /nfs/dbraw/zinc/46/32/47/950463247.db2.gz PLOLRSHUINTERX-AOOOYVTPSA-N -1 1 376.421 1.612 20 0 GDADMM CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)Nc2n[nH]cc2-c2nn[n-]n2)CC1 ZINC001573862214 950463260 /nfs/dbraw/zinc/46/32/60/950463260.db2.gz PLOLRSHUINTERX-AOOOYVTPSA-N -1 1 376.421 1.612 20 0 GDADMM C[C@H](CC(=O)NCCNc1snc(Cl)c1-c1nnn[n-]1)[C@H]1CCCO1 ZINC001574508216 950479220 /nfs/dbraw/zinc/47/92/20/950479220.db2.gz KVPFKIVJBHWNIH-RKDXNWHRSA-N -1 1 385.881 1.710 20 0 GDADMM C[C@H](CC(=O)NCCNc1snc(Cl)c1-c1nn[n-]n1)[C@H]1CCCO1 ZINC001574508216 950479230 /nfs/dbraw/zinc/47/92/30/950479230.db2.gz KVPFKIVJBHWNIH-RKDXNWHRSA-N -1 1 385.881 1.710 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574509232 950500515 /nfs/dbraw/zinc/50/05/15/950500515.db2.gz TZIINESESDMTHQ-UPJWGTAASA-N -1 1 382.428 1.172 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cc(Cl)no1 ZINC001575914652 950502031 /nfs/dbraw/zinc/50/20/31/950502031.db2.gz LQVJQJYTVRKUQF-SFYZADRCSA-N -1 1 375.780 1.013 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cc(Cl)no1 ZINC001575914652 950502056 /nfs/dbraw/zinc/50/20/56/950502056.db2.gz LQVJQJYTVRKUQF-SFYZADRCSA-N -1 1 375.780 1.013 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc(Cl)cc1F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574752939 950502972 /nfs/dbraw/zinc/50/29/72/950502972.db2.gz GOPPNKFZXQYBNA-SECBINFHSA-N -1 1 390.810 1.444 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc2c(c1)COC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574752980 950510486 /nfs/dbraw/zinc/51/04/86/950510486.db2.gz HQBJKJZDHONYHI-NSHDSACASA-N -1 1 380.412 1.260 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc2c(c1)COC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574752980 950510502 /nfs/dbraw/zinc/51/05/02/950510502.db2.gz HQBJKJZDHONYHI-NSHDSACASA-N -1 1 380.412 1.260 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C12CCC2 ZINC001573868531 950542299 /nfs/dbraw/zinc/54/22/99/950542299.db2.gz DHULWIWUCQXUOK-NEPJUHHUSA-N -1 1 386.460 1.311 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C12CCC2 ZINC001573868531 950542311 /nfs/dbraw/zinc/54/23/11/950542311.db2.gz DHULWIWUCQXUOK-NEPJUHHUSA-N -1 1 386.460 1.311 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@H]1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573869586 950570530 /nfs/dbraw/zinc/57/05/30/950570530.db2.gz QXUULIMKKSCGHV-CHWSQXEVSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@H]1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573869586 950570548 /nfs/dbraw/zinc/57/05/48/950570548.db2.gz QXUULIMKKSCGHV-CHWSQXEVSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1C)c1ccccc1 ZINC001574512728 950587585 /nfs/dbraw/zinc/58/75/85/950587585.db2.gz BBTAWBZQQHITQQ-LZWOXQAQSA-N -1 1 392.467 1.934 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H]1C)c1ccco1 ZINC001574513200 950596535 /nfs/dbraw/zinc/59/65/35/950596535.db2.gz JHZQDWHUZCJYEW-UPJWGTAASA-N -1 1 382.428 1.527 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H]1C)c1ccco1 ZINC001574513200 950596547 /nfs/dbraw/zinc/59/65/47/950596547.db2.gz JHZQDWHUZCJYEW-UPJWGTAASA-N -1 1 382.428 1.527 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001575617231 950598810 /nfs/dbraw/zinc/59/88/10/950598810.db2.gz YOUPQHNDXCQHES-LBPRGKRZSA-N -1 1 384.488 1.458 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)ccc1Cl)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575000293 950603785 /nfs/dbraw/zinc/60/37/85/950603785.db2.gz CFWMMZOYLHHEAS-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)ccc1Cl)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575000293 950603800 /nfs/dbraw/zinc/60/38/00/950603800.db2.gz CFWMMZOYLHHEAS-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)ccc1Cl)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575000818 950613534 /nfs/dbraw/zinc/61/35/34/950613534.db2.gz GBIWSOOPPQXQRP-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)ccc1Cl)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575000818 950613554 /nfs/dbraw/zinc/61/35/54/950613554.db2.gz GBIWSOOPPQXQRP-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(F)cc1F ZINC001575919618 950619177 /nfs/dbraw/zinc/61/91/77/950619177.db2.gz IMDKPOZHSFWTIF-TVQRCGJNSA-N -1 1 386.366 1.072 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(F)cc1F ZINC001575919617 950620657 /nfs/dbraw/zinc/62/06/57/950620657.db2.gz IMDKPOZHSFWTIF-RNCFNFMXSA-N -1 1 386.366 1.072 20 0 GDADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1coc(C(F)F)c1 ZINC001575921313 950635484 /nfs/dbraw/zinc/63/54/84/950635484.db2.gz NKGWVAHWSNRRCJ-PSASIEDQSA-N -1 1 390.354 1.324 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccc2c(c1)COC2 ZINC001575922781 950651062 /nfs/dbraw/zinc/65/10/62/950651062.db2.gz ANXNVCHWLXYACP-ABAIWWIYSA-N -1 1 392.423 1.402 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccc2c(c1)COC2 ZINC001575922781 950651068 /nfs/dbraw/zinc/65/10/68/950651068.db2.gz ANXNVCHWLXYACP-ABAIWWIYSA-N -1 1 392.423 1.402 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccncc1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574760131 950654258 /nfs/dbraw/zinc/65/42/58/950654258.db2.gz SZFBUFBOHXKPMZ-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccncc1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574760131 950654265 /nfs/dbraw/zinc/65/42/65/950654265.db2.gz SZFBUFBOHXKPMZ-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1 ZINC001575624072 950661430 /nfs/dbraw/zinc/66/14/30/950661430.db2.gz NQBUFICQUBJYBO-AGIUHOORSA-N -1 1 396.499 1.955 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccnn1C1CCC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574760586 950668390 /nfs/dbraw/zinc/66/83/90/950668390.db2.gz JOFLRTUSTQTRSF-LLVKDONJSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccnn1C1CCC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574760586 950668406 /nfs/dbraw/zinc/66/84/06/950668406.db2.gz JOFLRTUSTQTRSF-LLVKDONJSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)c1ccccc1 ZINC001574519059 950670026 /nfs/dbraw/zinc/67/00/26/950670026.db2.gz ATKVPOKLHAWQQV-JLMZAJLHSA-N -1 1 390.451 1.401 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)c1ccccc1 ZINC001574519059 950670036 /nfs/dbraw/zinc/67/00/36/950670036.db2.gz ATKVPOKLHAWQQV-JLMZAJLHSA-N -1 1 390.451 1.401 20 0 GDADMM C[C@H](CN(C)C(=O)c1cccc(N(C)C)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574760724 950677393 /nfs/dbraw/zinc/67/73/93/950677393.db2.gz YQIFOIJVHKEVAG-GFCCVEGCSA-N -1 1 381.444 1.295 20 0 GDADMM C[C@H](CN(C)C(=O)c1cccc(N(C)C)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574760724 950677403 /nfs/dbraw/zinc/67/74/03/950677403.db2.gz YQIFOIJVHKEVAG-GFCCVEGCSA-N -1 1 381.444 1.295 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1ccncc1 ZINC001575925467 950683636 /nfs/dbraw/zinc/68/36/36/950683636.db2.gz GZWZURPFLNQKJV-GXTWGEPZSA-N -1 1 379.428 1.086 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1ccncc1 ZINC001575925467 950683648 /nfs/dbraw/zinc/68/36/48/950683648.db2.gz GZWZURPFLNQKJV-GXTWGEPZSA-N -1 1 379.428 1.086 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccnnc1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574761114 950692712 /nfs/dbraw/zinc/69/27/12/950692712.db2.gz QPMNUABWHMVTAR-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccnnc1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574761114 950692724 /nfs/dbraw/zinc/69/27/24/950692724.db2.gz QPMNUABWHMVTAR-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc2c(c1)CCC2 ZINC001575925817 950693826 /nfs/dbraw/zinc/69/38/26/950693826.db2.gz VBOOAOYTLCZZDD-LRDDRELGSA-N -1 1 390.451 1.282 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ncoc1C1CC1 ZINC001575926247 950703402 /nfs/dbraw/zinc/70/34/02/950703402.db2.gz WYPFOSVACNQZGM-KOLCDFICSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ncoc1C1CC1 ZINC001575926247 950703411 /nfs/dbraw/zinc/70/34/11/950703411.db2.gz WYPFOSVACNQZGM-KOLCDFICSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccnnc1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574762638 950710346 /nfs/dbraw/zinc/71/03/46/950710346.db2.gz ZUOYYZHMHGSITL-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccnnc1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574762638 950710363 /nfs/dbraw/zinc/71/03/63/950710363.db2.gz ZUOYYZHMHGSITL-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)C1CCC(F)(F)CC1 ZINC001575926617 950718990 /nfs/dbraw/zinc/71/89/90/950718990.db2.gz KTSJJDYIHIUWQE-JQWIXIFHSA-N -1 1 392.414 1.884 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)C1CCC(F)(F)CC1 ZINC001575926617 950719006 /nfs/dbraw/zinc/71/90/06/950719006.db2.gz KTSJJDYIHIUWQE-JQWIXIFHSA-N -1 1 392.414 1.884 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccc(C(F)F)o1 ZINC001575926761 950723342 /nfs/dbraw/zinc/72/33/42/950723342.db2.gz LNJPKWHUTRGXLV-RKDXNWHRSA-N -1 1 390.354 1.902 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccc(C(F)F)o1 ZINC001575926761 950723354 /nfs/dbraw/zinc/72/33/54/950723354.db2.gz LNJPKWHUTRGXLV-RKDXNWHRSA-N -1 1 390.354 1.902 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1occ2c1CCC2 ZINC001575926768 950723972 /nfs/dbraw/zinc/72/39/72/950723972.db2.gz LQBNFLALLGYNEC-MFKMUULPSA-N -1 1 380.412 1.454 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1occ2c1CCC2 ZINC001575926768 950723993 /nfs/dbraw/zinc/72/39/93/950723993.db2.gz LQBNFLALLGYNEC-MFKMUULPSA-N -1 1 380.412 1.454 20 0 GDADMM CC1(C)CC(C(=O)N[C@H]2CCCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575628872 950726390 /nfs/dbraw/zinc/72/63/90/950726390.db2.gz INOJPZIEDVALIZ-OCCSQVGLSA-N -1 1 384.488 1.602 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1coc(C(F)F)c1 ZINC001575926924 950726802 /nfs/dbraw/zinc/72/68/02/950726802.db2.gz MVGJKLOVJGMHDS-WPRPVWTQSA-N -1 1 390.354 1.902 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1coc(C(F)F)c1 ZINC001575926924 950726815 /nfs/dbraw/zinc/72/68/15/950726815.db2.gz MVGJKLOVJGMHDS-WPRPVWTQSA-N -1 1 390.354 1.902 20 0 GDADMM C[C@@H](CC(=O)Nc1c(-c2nn[n-]n2)nnn1Cc1ccccc1)n1cccc1 ZINC001574520435 950729291 /nfs/dbraw/zinc/72/92/91/950729291.db2.gz RTSCDZQVOCTNPF-ZDUSSCGKSA-N -1 1 377.412 1.898 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1cncs1 ZINC001575927311 950739463 /nfs/dbraw/zinc/73/94/63/950739463.db2.gz OYXGNZFMFUZDTE-JQWIXIFHSA-N -1 1 385.457 1.147 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1cncs1 ZINC001575927311 950739479 /nfs/dbraw/zinc/73/94/79/950739479.db2.gz OYXGNZFMFUZDTE-JQWIXIFHSA-N -1 1 385.457 1.147 20 0 GDADMM CC(C)(C)c1ccc(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001573882027 950762954 /nfs/dbraw/zinc/76/29/54/950762954.db2.gz OLMUFXRZVCLABP-HNNXBMFYSA-N -1 1 392.467 1.963 20 0 GDADMM CC(C)(C)c1ccc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573882027 950762969 /nfs/dbraw/zinc/76/29/69/950762969.db2.gz OLMUFXRZVCLABP-HNNXBMFYSA-N -1 1 392.467 1.963 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)COCC1CCCC1 ZINC001575927942 950763371 /nfs/dbraw/zinc/76/33/71/950763371.db2.gz WKNPQYNBJKZTES-JSGCOSHPSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)COCC1CCCC1 ZINC001575927942 950763396 /nfs/dbraw/zinc/76/33/96/950763396.db2.gz WKNPQYNBJKZTES-JSGCOSHPSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576217493 950765457 /nfs/dbraw/zinc/76/54/57/950765457.db2.gz IFDFKASSWLJDQV-ONGXEEELSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576217493 950765473 /nfs/dbraw/zinc/76/54/73/950765473.db2.gz IFDFKASSWLJDQV-ONGXEEELSA-N -1 1 378.387 1.351 20 0 GDADMM CC(C)(C)c1ccc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573882127 950769067 /nfs/dbraw/zinc/76/90/67/950769067.db2.gz TWPTVCCVWKRXSK-HNNXBMFYSA-N -1 1 392.467 1.703 20 0 GDADMM CC(C)(C)c1cccc(C(=O)N2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)c1 ZINC001573882085 950769420 /nfs/dbraw/zinc/76/94/20/950769420.db2.gz RIMCFGWDQNHJTJ-UHFFFAOYSA-N -1 1 392.467 1.917 20 0 GDADMM CC1(C)CC(C(=O)N[C@]23CCC[C@H]2CN(c2ccnc(-c4nn[n-]n4)n2)C3)C1 ZINC001575631494 950773551 /nfs/dbraw/zinc/77/35/51/950773551.db2.gz MOJYPUHNFGSXRN-DJJJIMSYSA-N -1 1 382.472 1.568 20 0 GDADMM CC1(C)CC(CC(=O)NCCCN(c2cncc(-c3nnn[n-]3)n2)C2CC2)C1 ZINC001575632158 950790778 /nfs/dbraw/zinc/79/07/78/950790778.db2.gz CHTLJAONASIUMG-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CC(CC(=O)NCCCN(c2cncc(-c3nn[n-]n3)n2)C2CC2)C1 ZINC001575632158 950790789 /nfs/dbraw/zinc/79/07/89/950790789.db2.gz CHTLJAONASIUMG-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccc(Cl)cn1 ZINC001575930040 950791544 /nfs/dbraw/zinc/79/15/44/950791544.db2.gz DHAPJUPMGFTVPN-KOLCDFICSA-N -1 1 385.819 1.420 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(Cl)cn1 ZINC001575930040 950791551 /nfs/dbraw/zinc/79/15/51/950791551.db2.gz DHAPJUPMGFTVPN-KOLCDFICSA-N -1 1 385.819 1.420 20 0 GDADMM CC(C)CCC(=O)N[C@@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)C[C@H]1O ZINC001574185086 950794044 /nfs/dbraw/zinc/79/40/44/950794044.db2.gz SUNQSVBIKGGRKS-RKDXNWHRSA-N -1 1 385.881 1.079 20 0 GDADMM CC(C)CCC(=O)N[C@@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)C[C@H]1O ZINC001574185086 950794055 /nfs/dbraw/zinc/79/40/55/950794055.db2.gz SUNQSVBIKGGRKS-RKDXNWHRSA-N -1 1 385.881 1.079 20 0 GDADMM CC(C)CCC(=O)N[C@@H]1[C@H]2CN(c3snc(Cl)c3-c3nnn[n-]3)C[C@H]21 ZINC001574185313 950796174 /nfs/dbraw/zinc/79/61/74/950796174.db2.gz YCHCDQKQFWWTDZ-GDGBQDQQSA-N -1 1 381.893 1.964 20 0 GDADMM CC(C)CCC(=O)N[C@@H]1[C@H]2CN(c3snc(Cl)c3-c3nn[n-]n3)C[C@H]21 ZINC001574185313 950796197 /nfs/dbraw/zinc/79/61/97/950796197.db2.gz YCHCDQKQFWWTDZ-GDGBQDQQSA-N -1 1 381.893 1.964 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)Cc1cccc(F)c1 ZINC001575931455 950807241 /nfs/dbraw/zinc/80/72/41/950807241.db2.gz HVPHJYKDQHZUQT-SMDDNHRTSA-N -1 1 382.403 1.440 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)Cc1cccc(F)c1 ZINC001575931455 950807249 /nfs/dbraw/zinc/80/72/49/950807249.db2.gz HVPHJYKDQHZUQT-SMDDNHRTSA-N -1 1 382.403 1.440 20 0 GDADMM CC(C)(C)c1nc(C(=O)NCC2(Nc3cnc(-c4nnn[n-]4)cn3)CC2)co1 ZINC001573885432 950822077 /nfs/dbraw/zinc/82/20/77/950822077.db2.gz RIOWURXBIRMLBR-UHFFFAOYSA-N -1 1 383.416 1.317 20 0 GDADMM CC(C)(C)c1nc(C(=O)NCC2(Nc3cnc(-c4nn[n-]n4)cn3)CC2)co1 ZINC001573885432 950822100 /nfs/dbraw/zinc/82/21/00/950822100.db2.gz RIOWURXBIRMLBR-UHFFFAOYSA-N -1 1 383.416 1.317 20 0 GDADMM CC(C)(C)c1n[nH]cc1C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573885518 950828772 /nfs/dbraw/zinc/82/87/72/950828772.db2.gz YJVOCCXHWLJFSA-UHFFFAOYSA-N -1 1 382.432 1.052 20 0 GDADMM CC(C)(C)c1n[nH]cc1C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573885518 950828796 /nfs/dbraw/zinc/82/87/96/950828796.db2.gz YJVOCCXHWLJFSA-UHFFFAOYSA-N -1 1 382.432 1.052 20 0 GDADMM CC(C)CCCC(=O)N1CC[C@@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001574187454 950832382 /nfs/dbraw/zinc/83/23/82/950832382.db2.gz PWCQLKJKUMMZGU-LJQANCHMSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)CCCC(=O)N1CC[C@@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001574187454 950832400 /nfs/dbraw/zinc/83/24/00/950832400.db2.gz PWCQLKJKUMMZGU-LJQANCHMSA-N -1 1 384.488 1.912 20 0 GDADMM CC1(C)C[C@@H](NC(=O)[C@@H]2CC2(F)F)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575638561 950840831 /nfs/dbraw/zinc/84/08/31/950840831.db2.gz HTCZOUHGUYDTHR-QWRGUYRKSA-N -1 1 392.414 1.423 20 0 GDADMM CC1(C)C[C@@H](NC(=O)[C@@H]2CC2(F)F)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575638561 950840855 /nfs/dbraw/zinc/84/08/55/950840855.db2.gz HTCZOUHGUYDTHR-QWRGUYRKSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)c2ccccc2)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576221190 950847782 /nfs/dbraw/zinc/84/77/82/950847782.db2.gz USGRMTLYBOAPTE-BBRMVZONSA-N -1 1 392.467 1.893 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)c2ccccc2)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576221190 950847804 /nfs/dbraw/zinc/84/78/04/950847804.db2.gz USGRMTLYBOAPTE-BBRMVZONSA-N -1 1 392.467 1.893 20 0 GDADMM CC1(C)C[C@H]1C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)CC(C)(C)C1 ZINC001575639591 950873746 /nfs/dbraw/zinc/87/37/46/950873746.db2.gz TVTKRXNYMADUTK-OLZOCXBDSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C[C@H]1C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)CC(C)(C)C1 ZINC001575639591 950873766 /nfs/dbraw/zinc/87/37/66/950873766.db2.gz TVTKRXNYMADUTK-OLZOCXBDSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)CC(C)(C)C1 ZINC001575639590 950874163 /nfs/dbraw/zinc/87/41/63/950874163.db2.gz TVTKRXNYMADUTK-CHWSQXEVSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)CC(C)(C)C1 ZINC001575639590 950874180 /nfs/dbraw/zinc/87/41/80/950874180.db2.gz TVTKRXNYMADUTK-CHWSQXEVSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(CC(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573893434 950886436 /nfs/dbraw/zinc/88/64/36/950886436.db2.gz FZNIIKRCUSMVGC-AWEZNQCLSA-N -1 1 384.488 1.698 20 0 GDADMM CC(C)(CC(=O)N1CCC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001573893516 950890630 /nfs/dbraw/zinc/89/06/30/950890630.db2.gz JXVFYHMDLWTXME-CYBMUJFWSA-N -1 1 384.488 1.555 20 0 GDADMM CC(C)CCCC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCOCC1 ZINC001574190301 950909084 /nfs/dbraw/zinc/90/90/84/950909084.db2.gz WPMRDTVHHMGUMH-UHFFFAOYSA-N -1 1 388.476 1.560 20 0 GDADMM CC(C)CCCC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCOCC1 ZINC001574190301 950909102 /nfs/dbraw/zinc/90/91/02/950909102.db2.gz WPMRDTVHHMGUMH-UHFFFAOYSA-N -1 1 388.476 1.560 20 0 GDADMM CC(C)(CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573893852 950909493 /nfs/dbraw/zinc/90/94/93/950909493.db2.gz ZNZQZOYDJYOAPE-OKILXGFUSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H]1[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCN1C(=O)c1cccnn1 ZINC001575936622 950921426 /nfs/dbraw/zinc/92/14/26/950921426.db2.gz GTKFLFIIBYJYJO-JGVFFNPUSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCN1C(=O)c1cccnn1 ZINC001575936622 950921438 /nfs/dbraw/zinc/92/14/38/950921438.db2.gz GTKFLFIIBYJYJO-JGVFFNPUSA-N -1 1 391.848 1.482 20 0 GDADMM CC1(C)C[C@H](NC(=O)CCC2CC2)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575641785 950929769 /nfs/dbraw/zinc/92/97/69/950929769.db2.gz RALXATJEBMRJRE-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)C[C@H](NC(=O)CCC2CC2)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575641785 950929777 /nfs/dbraw/zinc/92/97/77/950929777.db2.gz RALXATJEBMRJRE-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CCCC(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCCO1 ZINC001574192310 950932678 /nfs/dbraw/zinc/93/26/78/950932678.db2.gz LSGJGCUSKJCFHT-CQSZACIVSA-N -1 1 388.476 1.195 20 0 GDADMM CC(C)CCCC(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCCO1 ZINC001574192310 950932689 /nfs/dbraw/zinc/93/26/89/950932689.db2.gz LSGJGCUSKJCFHT-CQSZACIVSA-N -1 1 388.476 1.195 20 0 GDADMM CC(C)(CC(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)C1CC1 ZINC001573896759 950951996 /nfs/dbraw/zinc/95/19/96/950951996.db2.gz JZAUYRVGONCIOZ-ZSOGYDGISA-N -1 1 382.472 1.281 20 0 GDADMM CC(C)(CC(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)C1CC1 ZINC001573896759 950952007 /nfs/dbraw/zinc/95/20/07/950952007.db2.gz JZAUYRVGONCIOZ-ZSOGYDGISA-N -1 1 382.472 1.281 20 0 GDADMM CC1(C)C[C@@H](NC(=O)C2CCCC2)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575643005 950956814 /nfs/dbraw/zinc/95/68/14/950956814.db2.gz XBWIAFPGAATUTC-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)c1ccc(C(=O)NC[C@H](C)CNc2ccnc(-c3nn[n-]n3)n2)cn1 ZINC001575017137 950978448 /nfs/dbraw/zinc/97/84/48/950978448.db2.gz AOXNEMVDXQZNBS-GFCCVEGCSA-N -1 1 381.444 1.075 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N1CCC2(C1)CCN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001575644337 950982909 /nfs/dbraw/zinc/98/29/09/950982909.db2.gz SRJCDSRXHIFPPS-CYBMUJFWSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ncc(Cl)s1 ZINC001575938434 950982985 /nfs/dbraw/zinc/98/29/85/950982985.db2.gz NKUAWENYSSBSBZ-JGVFFNPUSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ncc(Cl)s1 ZINC001575938434 950983008 /nfs/dbraw/zinc/98/30/08/950983008.db2.gz NKUAWENYSSBSBZ-JGVFFNPUSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1)Nc1nccnc1-c1nnn[n-]1 ZINC001575017314 950984787 /nfs/dbraw/zinc/98/47/87/950984787.db2.gz DABAZYDITDBCEE-SECBINFHSA-N -1 1 392.345 1.906 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1)Nc1nccnc1-c1nn[n-]n1 ZINC001575017314 950984810 /nfs/dbraw/zinc/98/48/10/950984810.db2.gz DABAZYDITDBCEE-SECBINFHSA-N -1 1 392.345 1.906 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(C)(F)F)cc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575017284 950985286 /nfs/dbraw/zinc/98/52/86/950985286.db2.gz CNXVQUGHPGYIJL-SNVBAGLBSA-N -1 1 388.382 1.421 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)CC(F)F ZINC001573899818 950989984 /nfs/dbraw/zinc/98/99/84/950989984.db2.gz KKYBSGYJKGIBFY-IWIIMEHWSA-N -1 1 392.414 1.279 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)CC(F)F ZINC001573899818 950990005 /nfs/dbraw/zinc/99/00/05/950990005.db2.gz KKYBSGYJKGIBFY-IWIIMEHWSA-N -1 1 392.414 1.279 20 0 GDADMM CC(C)(C)OC(=O)NC(C)(C)CC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001573900042 950995813 /nfs/dbraw/zinc/99/58/13/950995813.db2.gz QTORDKIHLCSITJ-UHFFFAOYSA-N -1 1 381.462 1.633 20 0 GDADMM CC(C)(C)OC(=O)NC(C)(C)CC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001573900042 950995821 /nfs/dbraw/zinc/99/58/21/950995821.db2.gz QTORDKIHLCSITJ-UHFFFAOYSA-N -1 1 381.462 1.633 20 0 GDADMM CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)CN(C)CCCC(=O)[O-] ZINC001591087809 951048418 /nfs/dbraw/zinc/04/84/18/951048418.db2.gz KSJXGFCHWOJSOL-UHFFFAOYSA-N -1 1 399.469 1.328 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)F)o1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575020207 951053973 /nfs/dbraw/zinc/05/39/73/951053973.db2.gz ZTRDMSCZCHDMTF-QMMMGPOBSA-N -1 1 378.343 1.442 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)cc1F)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575023302 951076096 /nfs/dbraw/zinc/07/60/96/951076096.db2.gz MKVFARZCLDIEER-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)cc1F)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575023302 951076105 /nfs/dbraw/zinc/07/61/05/951076105.db2.gz MKVFARZCLDIEER-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)cc1F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575024157 951093117 /nfs/dbraw/zinc/09/31/17/951093117.db2.gz WNGCMBUCLHWFMM-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)cc1F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575024157 951093127 /nfs/dbraw/zinc/09/31/27/951093127.db2.gz WNGCMBUCLHWFMM-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2cc[nH]c2n1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575024464 951105067 /nfs/dbraw/zinc/10/50/67/951105067.db2.gz FENQFWNRAGGMMA-SNVBAGLBSA-N -1 1 378.400 1.011 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2cc[nH]c2n1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575024464 951105075 /nfs/dbraw/zinc/10/50/75/951105075.db2.gz FENQFWNRAGGMMA-SNVBAGLBSA-N -1 1 378.400 1.011 20 0 GDADMM C[C@H](CNC(=O)c1cccc(Cl)c1F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575025824 951132514 /nfs/dbraw/zinc/13/25/14/951132514.db2.gz BJQLUEFXDLKMOP-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CNC(=O)c1cccc(Cl)c1F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575025824 951132524 /nfs/dbraw/zinc/13/25/24/951132524.db2.gz BJQLUEFXDLKMOP-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM CC(C)Oc1ccc(C(=O)NC[C@H](C)Nc2nccnc2-c2nnn[n-]2)cn1 ZINC001575025510 951133870 /nfs/dbraw/zinc/13/38/70/951133870.db2.gz ZZKZWEAVBAQOPL-NSHDSACASA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1ccc(C(=O)NC[C@H](C)Nc2nccnc2-c2nn[n-]n2)cn1 ZINC001575025510 951133877 /nfs/dbraw/zinc/13/38/77/951133877.db2.gz ZZKZWEAVBAQOPL-NSHDSACASA-N -1 1 383.416 1.069 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(C(F)F)c1F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575025934 951135740 /nfs/dbraw/zinc/13/57/40/951135740.db2.gz CYHMHZLUPNSBHD-QMMMGPOBSA-N -1 1 392.345 1.386 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(C(F)(F)F)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001575026215 951141126 /nfs/dbraw/zinc/14/11/26/951141126.db2.gz GSUNAXHUJRATNO-VIFPVBQESA-N -1 1 392.345 1.906 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(C(F)(F)F)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001575026215 951141135 /nfs/dbraw/zinc/14/11/35/951141135.db2.gz GSUNAXHUJRATNO-VIFPVBQESA-N -1 1 392.345 1.906 20 0 GDADMM C[C@H](CNC(=O)c1cccc(C2CC2)c1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575026758 951148104 /nfs/dbraw/zinc/14/81/04/951148104.db2.gz NBIPQHRCKQAEOL-GFCCVEGCSA-N -1 1 378.440 1.789 20 0 GDADMM C[C@H](CNC(=O)c1cccc(-c2nnn[n-]2)n1)c1ccc(S(C)(=O)=O)cc1 ZINC001575028458 951173845 /nfs/dbraw/zinc/17/38/45/951173845.db2.gz XJHGFPRYGCBLDQ-LLVKDONJSA-N -1 1 386.437 1.199 20 0 GDADMM C[C@H](CNC(=O)c1cccc(-c2nn[n-]n2)n1)c1ccc(S(C)(=O)=O)cc1 ZINC001575028458 951173852 /nfs/dbraw/zinc/17/38/52/951173852.db2.gz XJHGFPRYGCBLDQ-LLVKDONJSA-N -1 1 386.437 1.199 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2[nH]ccc21)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575028568 951177212 /nfs/dbraw/zinc/17/72/12/951177212.db2.gz OHUWNNGRDFEFAC-NSHDSACASA-N -1 1 377.412 1.393 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2[nH]ccc21)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575028568 951177220 /nfs/dbraw/zinc/17/72/20/951177220.db2.gz OHUWNNGRDFEFAC-NSHDSACASA-N -1 1 377.412 1.393 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2c1CCC2)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575029546 951187641 /nfs/dbraw/zinc/18/76/41/951187641.db2.gz VMIHZDPSCXAGNY-GFCCVEGCSA-N -1 1 378.440 1.623 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2c1CCC2)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575029546 951187648 /nfs/dbraw/zinc/18/76/48/951187648.db2.gz VMIHZDPSCXAGNY-GFCCVEGCSA-N -1 1 378.440 1.623 20 0 GDADMM C[C@H](CNC(=O)c1cccc2c1CCC2)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575030090 951192046 /nfs/dbraw/zinc/19/20/46/951192046.db2.gz ZRMXPTQGIWVXDK-GFCCVEGCSA-N -1 1 378.440 1.400 20 0 GDADMM C[C@H](CNC(=O)c1cccc2c1CCC2)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575030090 951192048 /nfs/dbraw/zinc/19/20/48/951192048.db2.gz ZRMXPTQGIWVXDK-GFCCVEGCSA-N -1 1 378.440 1.400 20 0 GDADMM C[C@H](CNC(=O)c1cccnc1C(F)F)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575031533 951197080 /nfs/dbraw/zinc/19/70/80/951197080.db2.gz CGOHVHMVBCHYBE-VIFPVBQESA-N -1 1 389.370 1.467 20 0 GDADMM C[C@H](CNC(=O)c1cccnc1C(F)F)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575031533 951197088 /nfs/dbraw/zinc/19/70/88/951197088.db2.gz CGOHVHMVBCHYBE-VIFPVBQESA-N -1 1 389.370 1.467 20 0 GDADMM C[C@@H](CNC(=O)c1cccnc1C1CC1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575032256 951220195 /nfs/dbraw/zinc/22/01/95/951220195.db2.gz VCMUOUCYJXBVNW-NSHDSACASA-N -1 1 379.428 1.184 20 0 GDADMM C[C@@H](CNC(=O)c1cccnc1C1CC1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575032256 951220207 /nfs/dbraw/zinc/22/02/07/951220207.db2.gz VCMUOUCYJXBVNW-NSHDSACASA-N -1 1 379.428 1.184 20 0 GDADMM C[C@H](CNC(=O)c1ccnnc1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575033920 951231655 /nfs/dbraw/zinc/23/16/55/951231655.db2.gz DXQSTBBXTAXRTO-SSDOTTSWSA-N -1 1 379.837 1.021 20 0 GDADMM CC(C)Oc1cc(C(=O)NC[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)ccn1 ZINC001575036687 951299075 /nfs/dbraw/zinc/29/90/75/951299075.db2.gz VXFIPGQCJFSCPO-NSHDSACASA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1cc(C(=O)NC[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)ccn1 ZINC001575036687 951299084 /nfs/dbraw/zinc/29/90/84/951299084.db2.gz VXFIPGQCJFSCPO-NSHDSACASA-N -1 1 383.416 1.069 20 0 GDADMM C[C@H]1CN(Cc2ccccc2)C[C@@H]1NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000389798648 951358358 /nfs/dbraw/zinc/35/83/58/951358358.db2.gz QRBPJZVSOOSEEC-YOEHRIQHSA-N -1 1 381.498 1.138 20 0 GDADMM C[C@H](CNC(=O)c1cnns1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575055588 951509200 /nfs/dbraw/zinc/50/92/00/951509200.db2.gz XWWHECRJLSKIKV-RXMQYKEDSA-N -1 1 385.866 1.083 20 0 GDADMM C[C@H](CNC(=O)c1conc1C1CCCC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575056690 951522191 /nfs/dbraw/zinc/52/21/91/951522191.db2.gz LOQXYHHHPHWEOR-SNVBAGLBSA-N -1 1 383.416 1.533 20 0 GDADMM C[C@H](CNC(=O)c1conc1C1CCCC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575056690 951522199 /nfs/dbraw/zinc/52/21/99/951522199.db2.gz LOQXYHHHPHWEOR-SNVBAGLBSA-N -1 1 383.416 1.533 20 0 GDADMM C[C@H](CNC(=O)c1coc(C(F)F)c1)CNc1nccnc1-c1nnn[n-]1 ZINC001575058044 951534833 /nfs/dbraw/zinc/53/48/33/951534833.db2.gz UFFNTBQPNAKGBC-QMMMGPOBSA-N -1 1 378.343 1.665 20 0 GDADMM C[C@H](CNC(=O)c1coc(C(F)F)c1)CNc1nccnc1-c1nn[n-]n1 ZINC001575058044 951534838 /nfs/dbraw/zinc/53/48/38/951534838.db2.gz UFFNTBQPNAKGBC-QMMMGPOBSA-N -1 1 378.343 1.665 20 0 GDADMM C[C@@H](CNC(=O)c1csc2c1CCCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575060674 951544872 /nfs/dbraw/zinc/54/48/72/951544872.db2.gz CQDWRAJFDINSRB-JTQLQIEISA-N -1 1 384.469 1.827 20 0 GDADMM C[C@@H](CNC(=O)c1csc2c1CCCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575060674 951544875 /nfs/dbraw/zinc/54/48/75/951544875.db2.gz CQDWRAJFDINSRB-JTQLQIEISA-N -1 1 384.469 1.827 20 0 GDADMM C[C@@H](CNC(=O)c1nc(C(C)(C)C)cs1)Nc1nccnc1-c1nnn[n-]1 ZINC001575060889 951552414 /nfs/dbraw/zinc/55/24/14/951552414.db2.gz IZPYNOXJZRCQKE-VIFPVBQESA-N -1 1 387.473 1.641 20 0 GDADMM C[C@@H](CNC(=O)c1nc(C(C)(C)C)cs1)Nc1nccnc1-c1nn[n-]n1 ZINC001575060889 951552420 /nfs/dbraw/zinc/55/24/20/951552420.db2.gz IZPYNOXJZRCQKE-VIFPVBQESA-N -1 1 387.473 1.641 20 0 GDADMM C[C@@H](CNC(=O)c1ncc(Cl)s1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575061546 951559527 /nfs/dbraw/zinc/55/95/27/951559527.db2.gz NGVHYAAFQFWHOO-ZETCQYMHSA-N -1 1 379.837 1.021 20 0 GDADMM O=C([O-])CN(C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O)C1CCC1 ZINC001595068290 951578658 /nfs/dbraw/zinc/57/86/58/951578658.db2.gz OUIWQXIZOJCCTO-UHFFFAOYSA-N -1 1 382.438 1.256 20 0 GDADMM C[C@@H](CNC(=O)c1nccs1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575065247 951580821 /nfs/dbraw/zinc/58/08/21/951580821.db2.gz AKJCEULSWODRPH-LURJTMIESA-N -1 1 384.878 1.911 20 0 GDADMM C[C@@H](CNC(=O)c1nccs1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575065247 951580824 /nfs/dbraw/zinc/58/08/24/951580824.db2.gz AKJCEULSWODRPH-LURJTMIESA-N -1 1 384.878 1.911 20 0 GDADMM C[C@@H](CNC(=O)c1ocnc1-c1ccccc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575065395 951585017 /nfs/dbraw/zinc/58/50/17/951585017.db2.gz GQFGROIBVQWYOB-NSHDSACASA-N -1 1 391.395 1.542 20 0 GDADMM C[C@@H](CNC(=O)c1ocnc1-c1ccccc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575065395 951585030 /nfs/dbraw/zinc/58/50/30/951585030.db2.gz GQFGROIBVQWYOB-NSHDSACASA-N -1 1 391.395 1.542 20 0 GDADMM CC(C)Oc1cccnc1C(=O)NC[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575066121 951595688 /nfs/dbraw/zinc/59/56/88/951595688.db2.gz FVIXXJHFSLTALG-LLVKDONJSA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1cccnc1C(=O)NC[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575066121 951595697 /nfs/dbraw/zinc/59/56/97/951595697.db2.gz FVIXXJHFSLTALG-LLVKDONJSA-N -1 1 383.416 1.069 20 0 GDADMM O=C([O-])CN1CC[C@@H](N2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)C1=O ZINC001595071672 951599873 /nfs/dbraw/zinc/59/98/73/951599873.db2.gz GUIJAJIJQCFEOM-CQSZACIVSA-N -1 1 395.843 1.382 20 0 GDADMM C[C@H](CNC(=O)c1noc2c1CCCCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575066919 951601597 /nfs/dbraw/zinc/60/15/97/951601597.db2.gz NRKGILGRTXWQKI-SNVBAGLBSA-N -1 1 383.416 1.144 20 0 GDADMM C[C@H](CNC(=O)c1noc2c1CCCCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575066919 951601611 /nfs/dbraw/zinc/60/16/11/951601611.db2.gz NRKGILGRTXWQKI-SNVBAGLBSA-N -1 1 383.416 1.144 20 0 GDADMM CC(C)Oc1cccnc1C(=O)NC[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575067975 951627839 /nfs/dbraw/zinc/62/78/39/951627839.db2.gz UBPNUSYASQLFOE-NSHDSACASA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1cccnc1C(=O)NC[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575067975 951627843 /nfs/dbraw/zinc/62/78/43/951627843.db2.gz UBPNUSYASQLFOE-NSHDSACASA-N -1 1 383.416 1.069 20 0 GDADMM O=C([O-])CN1CCC[C@H](C(=O)N2CCc3nc[nH]c3[C@H]2c2ccccc2)C1=O ZINC001595081480 951684431 /nfs/dbraw/zinc/68/44/31/951684431.db2.gz AKJLUSBQGPPUCF-KBXCAEBGSA-N -1 1 382.420 1.207 20 0 GDADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)[C@H]1Cc2ccccc21)C1CC1 ZINC001575123609 952016266 /nfs/dbraw/zinc/01/62/66/952016266.db2.gz BFHAZBAWCCYUHP-YWZLYKJASA-N -1 1 390.451 1.693 20 0 GDADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)[C@H]1Cc2ccccc21)C1CC1 ZINC001575123609 952016276 /nfs/dbraw/zinc/01/62/76/952016276.db2.gz BFHAZBAWCCYUHP-YWZLYKJASA-N -1 1 390.451 1.693 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)Cc1cc(F)ccc1F ZINC001575132475 952093082 /nfs/dbraw/zinc/09/30/82/952093082.db2.gz FKLVMPIRPXTDPU-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)Cc1cc(F)ccc1F ZINC001575132475 952093087 /nfs/dbraw/zinc/09/30/87/952093087.db2.gz FKLVMPIRPXTDPU-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1scnc1C1CC1 ZINC001575133656 952105163 /nfs/dbraw/zinc/10/51/63/952105163.db2.gz FSCCUKHZCOXHOA-VIFPVBQESA-N -1 1 385.457 1.563 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1scnc1C1CC1 ZINC001575133656 952105171 /nfs/dbraw/zinc/10/51/71/952105171.db2.gz FSCCUKHZCOXHOA-VIFPVBQESA-N -1 1 385.457 1.563 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)C[C@@H]1CCC(F)(F)C1 ZINC001575135943 952122211 /nfs/dbraw/zinc/12/22/11/952122211.db2.gz UCDPEHWACPKVIM-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)C[C@@H]1CCC(F)(F)C1 ZINC001575135943 952122217 /nfs/dbraw/zinc/12/22/17/952122217.db2.gz UCDPEHWACPKVIM-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1coc(C(F)F)c1 ZINC001575136360 952123981 /nfs/dbraw/zinc/12/39/81/952123981.db2.gz OVXSPLIEEKTSLT-QMMMGPOBSA-N -1 1 378.343 1.760 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1coc(C(F)F)c1 ZINC001575136360 952123992 /nfs/dbraw/zinc/12/39/92/952123992.db2.gz OVXSPLIEEKTSLT-QMMMGPOBSA-N -1 1 378.343 1.760 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cccnc1C1CC1 ZINC001575136454 952126378 /nfs/dbraw/zinc/12/63/78/952126378.db2.gz PFTVSCNNTAEEAI-NSHDSACASA-N -1 1 379.428 1.502 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cccnc1C1CC1 ZINC001575136454 952126380 /nfs/dbraw/zinc/12/63/80/952126380.db2.gz PFTVSCNNTAEEAI-NSHDSACASA-N -1 1 379.428 1.502 20 0 GDADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)[C@@H]1CC12CCCC2)C1CC1 ZINC001575136882 952129696 /nfs/dbraw/zinc/12/96/96/952129696.db2.gz QRBKJDWKMCNUHU-UGSOOPFHSA-N -1 1 382.472 1.356 20 0 GDADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)[C@@H]1C[C@H]1C1CCC1)C1CC1 ZINC001575141517 952144488 /nfs/dbraw/zinc/14/44/88/952144488.db2.gz HTXJNISSGLKEPA-KSMMKXTCSA-N -1 1 382.472 1.212 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccsc1Cl ZINC001575143908 952159674 /nfs/dbraw/zinc/15/96/74/952159674.db2.gz DPEDOWIDYVQUKO-MRVPVSSYSA-N -1 1 378.849 1.366 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cccc(C(F)F)c1 ZINC001575145492 952185657 /nfs/dbraw/zinc/18/56/57/952185657.db2.gz YRGMIQHRUYUYOA-SNVBAGLBSA-N -1 1 388.382 1.589 20 0 GDADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)CC1CCOCC1)C1CC1 ZINC001575147764 952200975 /nfs/dbraw/zinc/20/09/75/952200975.db2.gz VZDURIJCHVWYHK-GOSISDBHSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)CC1CCOCC1)C1CC1 ZINC001575147764 952200979 /nfs/dbraw/zinc/20/09/79/952200979.db2.gz VZDURIJCHVWYHK-GOSISDBHSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)C1(C(F)(F)F)CCC1 ZINC001575153705 952211954 /nfs/dbraw/zinc/21/19/54/952211954.db2.gz JTXMQVILENEUOP-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)C1(C(F)(F)F)CCC1 ZINC001575153705 952211956 /nfs/dbraw/zinc/21/19/56/952211956.db2.gz JTXMQVILENEUOP-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)Cc1ccc(F)c(F)c1 ZINC001575154198 952218134 /nfs/dbraw/zinc/21/81/34/952218134.db2.gz QBOXTPYMQWNOIA-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)Cc1ccc(F)c(F)c1 ZINC001575154198 952218143 /nfs/dbraw/zinc/21/81/43/952218143.db2.gz QBOXTPYMQWNOIA-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)C[C@@H]1CCC(C)(C)CO1 ZINC001575154566 952225684 /nfs/dbraw/zinc/22/56/84/952225684.db2.gz SOTILTOBKZSXOT-STQMWFEESA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)C[C@@H]1CCC(C)(C)CO1 ZINC001575154566 952225692 /nfs/dbraw/zinc/22/56/92/952225692.db2.gz SOTILTOBKZSXOT-STQMWFEESA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)Cc1cscn1)C1CC1 ZINC001575155094 952235402 /nfs/dbraw/zinc/23/54/02/952235402.db2.gz WILIUFPWEUHWNU-INIZCTEOSA-N -1 1 385.457 1.053 20 0 GDADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)Cc1cscn1)C1CC1 ZINC001575155094 952235409 /nfs/dbraw/zinc/23/54/09/952235409.db2.gz WILIUFPWEUHWNU-INIZCTEOSA-N -1 1 385.457 1.053 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)Cc1ccccc1Cl ZINC001575156732 952256206 /nfs/dbraw/zinc/25/62/06/952256206.db2.gz HVISDONQXOLTHX-LLVKDONJSA-N -1 1 386.847 1.812 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)Cc1ccccc1Cl ZINC001575156732 952256214 /nfs/dbraw/zinc/25/62/14/952256214.db2.gz HVISDONQXOLTHX-LLVKDONJSA-N -1 1 386.847 1.812 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)C[C@H]1CCC(C)(C)CO1 ZINC001575157882 952267901 /nfs/dbraw/zinc/26/79/01/952267901.db2.gz QBZHJXBYRCMWGW-QWHCGFSZSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)C[C@H]1CCC(C)(C)CO1 ZINC001575157882 952267903 /nfs/dbraw/zinc/26/79/03/952267903.db2.gz QBZHJXBYRCMWGW-QWHCGFSZSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCc2cccnc21 ZINC001575173875 952357945 /nfs/dbraw/zinc/35/79/45/952357945.db2.gz BWHPPOQBLJPQKC-YPMHNXCESA-N -1 1 379.428 1.041 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCc2cccnc21 ZINC001575173875 952357952 /nfs/dbraw/zinc/35/79/52/952357952.db2.gz BWHPPOQBLJPQKC-YPMHNXCESA-N -1 1 379.428 1.041 20 0 GDADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)C=Cc1ccc[nH]1)C1CC1 ZINC001575174330 952369380 /nfs/dbraw/zinc/36/93/80/952369380.db2.gz MICIQOOXTLYHEZ-IPLHWJFFSA-N -1 1 379.428 1.395 20 0 GDADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)C=Cc1ccc[nH]1)C1CC1 ZINC001575174330 952369389 /nfs/dbraw/zinc/36/93/89/952369389.db2.gz MICIQOOXTLYHEZ-IPLHWJFFSA-N -1 1 379.428 1.395 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)[C@]1(C)CCOC1 ZINC001575174663 952376842 /nfs/dbraw/zinc/37/68/42/952376842.db2.gz BWGIPUPNQULAGO-RMLUDKJBSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)[C@]1(C)CCOC1 ZINC001575174663 952376847 /nfs/dbraw/zinc/37/68/47/952376847.db2.gz BWGIPUPNQULAGO-RMLUDKJBSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)c1cccnn1 ZINC001575176964 952397938 /nfs/dbraw/zinc/39/79/38/952397938.db2.gz FUJIZBVZJVPAMB-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)c1cccnn1 ZINC001575176964 952397944 /nfs/dbraw/zinc/39/79/44/952397944.db2.gz FUJIZBVZJVPAMB-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001575177262 952399467 /nfs/dbraw/zinc/39/94/67/952399467.db2.gz HQPBGWIRQJQZMX-FPMFFAJLSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001575177262 952399474 /nfs/dbraw/zinc/39/94/74/952399474.db2.gz HQPBGWIRQJQZMX-FPMFFAJLSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)[C@@]1(F)CCOC1 ZINC001575178742 952407828 /nfs/dbraw/zinc/40/78/28/952407828.db2.gz MDZRZUSQOLTAGY-FUXBKTLASA-N -1 1 389.844 1.364 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)[C@@]1(F)CCOC1 ZINC001575178742 952407832 /nfs/dbraw/zinc/40/78/32/952407832.db2.gz MDZRZUSQOLTAGY-FUXBKTLASA-N -1 1 389.844 1.364 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ncoc1C(C)(C)C ZINC001575179712 952414007 /nfs/dbraw/zinc/41/40/07/952414007.db2.gz QUFGWLNIABEDIV-SNVBAGLBSA-N -1 1 385.432 1.515 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ncoc1C(C)(C)C ZINC001575179712 952414011 /nfs/dbraw/zinc/41/40/11/952414011.db2.gz QUFGWLNIABEDIV-SNVBAGLBSA-N -1 1 385.432 1.515 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1coc(C2CCC2)n1 ZINC001575179789 952414319 /nfs/dbraw/zinc/41/43/19/952414319.db2.gz QVQZCMIOFVVWSL-JTQLQIEISA-N -1 1 383.416 1.485 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1coc(C2CCC2)n1 ZINC001575179789 952414330 /nfs/dbraw/zinc/41/43/30/952414330.db2.gz QVQZCMIOFVVWSL-JTQLQIEISA-N -1 1 383.416 1.485 20 0 GDADMM C[C@@H](Cc1ccccc1F)C(=O)NCCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001575187469 952441301 /nfs/dbraw/zinc/44/13/01/952441301.db2.gz BTNVBVSBAZPRLG-LBPRGKRZSA-N -1 1 384.419 1.015 20 0 GDADMM C[C@@H](Cc1cccc(F)c1)C(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001575188053 952445898 /nfs/dbraw/zinc/44/58/98/952445898.db2.gz GVQCWYBMTVZBMV-LBPRGKRZSA-N -1 1 384.419 1.545 20 0 GDADMM C[C@@H](Cc1cccc(F)c1)C(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001575188053 952445901 /nfs/dbraw/zinc/44/59/01/952445901.db2.gz GVQCWYBMTVZBMV-LBPRGKRZSA-N -1 1 384.419 1.545 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575196163 952474749 /nfs/dbraw/zinc/47/47/49/952474749.db2.gz DWZIDVDFGIIPLU-QWHCGFSZSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575196163 952474751 /nfs/dbraw/zinc/47/47/51/952474751.db2.gz DWZIDVDFGIIPLU-QWHCGFSZSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC1CC(CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575196827 952476396 /nfs/dbraw/zinc/47/63/96/952476396.db2.gz JNIJDYLKTPPSLP-PNESKVBLSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC1CC(CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575196827 952476399 /nfs/dbraw/zinc/47/63/99/952476399.db2.gz JNIJDYLKTPPSLP-PNESKVBLSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC1CC(CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575196826 952476481 /nfs/dbraw/zinc/47/64/81/952476481.db2.gz JNIJDYLKTPPSLP-HIFPTAJRSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC1CC(CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575196826 952476488 /nfs/dbraw/zinc/47/64/88/952476488.db2.gz JNIJDYLKTPPSLP-HIFPTAJRSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NCCN(c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001575197322 952483658 /nfs/dbraw/zinc/48/36/58/952483658.db2.gz TTWOOFFQYUWSEB-LBPRGKRZSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NCCN(c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001575197322 952483662 /nfs/dbraw/zinc/48/36/62/952483662.db2.gz TTWOOFFQYUWSEB-LBPRGKRZSA-N -1 1 382.428 1.214 20 0 GDADMM C=Cc1ccc(C(=O)N(C)C2CC(Nc3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571120758 952508913 /nfs/dbraw/zinc/50/89/13/952508913.db2.gz QRLPCDLNQPRBGF-UHFFFAOYSA-N -1 1 376.424 1.437 20 0 GDADMM O=C([C@@H]1C[C@H]1c1ccccc1)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571121742 952522655 /nfs/dbraw/zinc/52/26/55/952522655.db2.gz CQQDVGNBPKYVEX-LSDHHAIUSA-N -1 1 376.424 1.109 20 0 GDADMM O=C([C@@H]1C[C@H]1c1ccccc1)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571121742 952522657 /nfs/dbraw/zinc/52/26/57/952522657.db2.gz CQQDVGNBPKYVEX-LSDHHAIUSA-N -1 1 376.424 1.109 20 0 GDADMM CC(C)[C@H](F)C(=O)N1CCC(CCNc2nccnc2-c2nnn[n-]2)CC1 ZINC001571122748 952526946 /nfs/dbraw/zinc/52/69/46/952526946.db2.gz JUUPCGRMTLHNRY-ZDUSSCGKSA-N -1 1 376.440 1.691 20 0 GDADMM CC(C)[C@H](F)C(=O)N1CCC(CCNc2nccnc2-c2nn[n-]n2)CC1 ZINC001571122748 952526959 /nfs/dbraw/zinc/52/69/59/952526959.db2.gz JUUPCGRMTLHNRY-ZDUSSCGKSA-N -1 1 376.440 1.691 20 0 GDADMM CCC1(C(=O)N2CCO[C@H](CNc3snc(C)c3-c3nn[n-]n3)C2)CC1 ZINC001571127290 952552258 /nfs/dbraw/zinc/55/22/58/952552258.db2.gz CPNPUJYVJRMTDH-LLVKDONJSA-N -1 1 377.474 1.461 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575214125 952562850 /nfs/dbraw/zinc/56/28/50/952562850.db2.gz IGOFUVYBOMPOAL-SNVBAGLBSA-N -1 1 380.403 1.163 20 0 GDADMM Cc1nsc(N[C@H]2CCCN(C(=O)C3CCOCC3)C2)c1-c1nn[n-]n1 ZINC001571128384 952565849 /nfs/dbraw/zinc/56/58/49/952565849.db2.gz SCPYGOQPLPSCJZ-LBPRGKRZSA-N -1 1 377.474 1.461 20 0 GDADMM Cc1nsc(NC[C@H]2CCCN2C(=O)C[C@H]2CCOC2)c1-c1nn[n-]n1 ZINC001571128392 952566092 /nfs/dbraw/zinc/56/60/92/952566092.db2.gz SFFJMCHJJYUZLW-VXGBXAGGSA-N -1 1 377.474 1.461 20 0 GDADMM O=C(c1ncccn1)N1CC[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571128281 952566345 /nfs/dbraw/zinc/56/63/45/952566345.db2.gz QOMCRWWWPIKNJB-SSDOTTSWSA-N -1 1 377.821 1.093 20 0 GDADMM O=C(c1ncccn1)N1CC[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571128281 952566351 /nfs/dbraw/zinc/56/63/51/952566351.db2.gz QOMCRWWWPIKNJB-SSDOTTSWSA-N -1 1 377.821 1.093 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575215490 952567752 /nfs/dbraw/zinc/56/77/52/952567752.db2.gz URGYPKGDCHGVHN-AOOOYVTPSA-N -1 1 380.403 1.067 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1 ZINC001575215062 952568375 /nfs/dbraw/zinc/56/83/75/952568375.db2.gz SJKIMJDZSILKKJ-UWVGGRQHSA-N -1 1 378.387 1.128 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1 ZINC001575215062 952568379 /nfs/dbraw/zinc/56/83/79/952568379.db2.gz SJKIMJDZSILKKJ-UWVGGRQHSA-N -1 1 378.387 1.128 20 0 GDADMM C[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)CC1CC(F)(F)C1 ZINC001571129346 952573984 /nfs/dbraw/zinc/57/39/84/952573984.db2.gz CSQHMXNWXHEXOP-MWLCHTKSSA-N -1 1 378.387 1.033 20 0 GDADMM O=C(CC1CC(F)(F)C1)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001571129516 952575221 /nfs/dbraw/zinc/57/52/21/952575221.db2.gz FUVQXDVMAQCFMZ-UHFFFAOYSA-N -1 1 378.387 1.495 20 0 GDADMM O=C(CC1CC(F)(F)C1)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001571129516 952575222 /nfs/dbraw/zinc/57/52/22/952575222.db2.gz FUVQXDVMAQCFMZ-UHFFFAOYSA-N -1 1 378.387 1.495 20 0 GDADMM CN(C[C@@H]1CCCCN1C(=O)[C@H]1CC1(F)F)c1ccc(-c2nnn[n-]2)nn1 ZINC001571130125 952578991 /nfs/dbraw/zinc/57/89/91/952578991.db2.gz OOAUDYWWTZJBSZ-WDEREUQCSA-N -1 1 378.387 1.129 20 0 GDADMM CN(C[C@@H]1CCCCN1C(=O)[C@H]1CC1(F)F)c1ccc(-c2nn[n-]n2)nn1 ZINC001571130125 952578993 /nfs/dbraw/zinc/57/89/93/952578993.db2.gz OOAUDYWWTZJBSZ-WDEREUQCSA-N -1 1 378.387 1.129 20 0 GDADMM Cc1ccccc1[C@@H](C)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571134096 952585960 /nfs/dbraw/zinc/58/59/60/952585960.db2.gz DPDSJANVSOCEJD-MCIONIFRSA-N -1 1 378.440 1.828 20 0 GDADMM Cc1ccccc1[C@@H](C)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571134096 952585965 /nfs/dbraw/zinc/58/59/65/952585965.db2.gz DPDSJANVSOCEJD-MCIONIFRSA-N -1 1 378.440 1.828 20 0 GDADMM Cc1cc(C)cc(C(=O)N2CCC(Nc3cnc(-c4nnn[n-]4)cn3)CC2)c1 ZINC001571134589 952593253 /nfs/dbraw/zinc/59/32/53/952593253.db2.gz HLPJUHUCDZZCCF-UHFFFAOYSA-N -1 1 378.440 1.990 20 0 GDADMM Cc1cc(C)cc(C(=O)N2CCC(Nc3cnc(-c4nn[n-]n4)cn3)CC2)c1 ZINC001571134589 952593256 /nfs/dbraw/zinc/59/32/56/952593256.db2.gz HLPJUHUCDZZCCF-UHFFFAOYSA-N -1 1 378.440 1.990 20 0 GDADMM C[C@@H]1C[C@@H](NC(=O)C2C=CC=CC=C2)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571134777 952594834 /nfs/dbraw/zinc/59/48/34/952594834.db2.gz LLIDOJSLAGDXTE-HIFRSBDPSA-N -1 1 378.440 1.429 20 0 GDADMM C[C@@H]1C[C@@H](NC(=O)C2C=CC=CC=C2)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571134777 952594840 /nfs/dbraw/zinc/59/48/40/952594840.db2.gz LLIDOJSLAGDXTE-HIFRSBDPSA-N -1 1 378.440 1.429 20 0 GDADMM Cc1cc(S(N)(=O)=O)c(C)cc1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001571134873 952596651 /nfs/dbraw/zinc/59/66/51/952596651.db2.gz MGWMWPLHYHPNPE-UHFFFAOYSA-N -1 1 378.439 1.445 20 0 GDADMM Cc1cccc(C(=O)N2C[C@H](Nc3nccnc3-c3nnn[n-]3)C(C)(C)C2)c1 ZINC001571135216 952601630 /nfs/dbraw/zinc/60/16/30/952601630.db2.gz TWXHOUUJIDSUGI-AWEZNQCLSA-N -1 1 378.440 1.928 20 0 GDADMM Cc1cccc(C(=O)N2C[C@H](Nc3nccnc3-c3nn[n-]n3)C(C)(C)C2)c1 ZINC001571135216 952601633 /nfs/dbraw/zinc/60/16/33/952601633.db2.gz TWXHOUUJIDSUGI-AWEZNQCLSA-N -1 1 378.440 1.928 20 0 GDADMM Cc1ccc(C(=O)N2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C[C@@H]2C)cc1C ZINC001571135449 952603872 /nfs/dbraw/zinc/60/38/72/952603872.db2.gz XVWCQVDDTNMGQK-DZGCQCFKSA-N -1 1 378.440 1.989 20 0 GDADMM Cc1ccc(C(=O)N2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C[C@@H]2C)cc1C ZINC001571135449 952603875 /nfs/dbraw/zinc/60/38/75/952603875.db2.gz XVWCQVDDTNMGQK-DZGCQCFKSA-N -1 1 378.440 1.989 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571135623 952606629 /nfs/dbraw/zinc/60/66/29/952606629.db2.gz ZDQYGDVXBWWYKN-OAHLLOKOSA-N -1 1 378.440 1.789 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571135623 952606635 /nfs/dbraw/zinc/60/66/35/952606635.db2.gz ZDQYGDVXBWWYKN-OAHLLOKOSA-N -1 1 378.440 1.789 20 0 GDADMM O=C(c1ccoc1C1CC1)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571136202 952613346 /nfs/dbraw/zinc/61/33/46/952613346.db2.gz OCBJFISUTLEALP-RYUDHWBXSA-N -1 1 378.396 1.230 20 0 GDADMM O=C(c1ccoc1C1CC1)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571136202 952613349 /nfs/dbraw/zinc/61/33/49/952613349.db2.gz OCBJFISUTLEALP-RYUDHWBXSA-N -1 1 378.396 1.230 20 0 GDADMM O=C(N[C@H]1CCCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1)c1ccc[nH]1 ZINC001571141039 952630922 /nfs/dbraw/zinc/63/09/22/952630922.db2.gz FXIOHGIMMRWPEG-QMMMGPOBSA-N -1 1 378.849 1.704 20 0 GDADMM C[C@@H](NC(=O)c1ccccn1)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571146804 952653291 /nfs/dbraw/zinc/65/32/91/952653291.db2.gz CORHWXMGWTWHPC-OLZOCXBDSA-N -1 1 379.428 1.087 20 0 GDADMM C[C@@H](NC(=O)c1ccccn1)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571146804 952653294 /nfs/dbraw/zinc/65/32/94/952653294.db2.gz CORHWXMGWTWHPC-OLZOCXBDSA-N -1 1 379.428 1.087 20 0 GDADMM O=C(N[C@H]1CCCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1)c1cccnc1 ZINC001571147097 952657005 /nfs/dbraw/zinc/65/70/05/952657005.db2.gz SVEMVAUBEJYUGX-OCCSQVGLSA-N -1 1 379.428 1.452 20 0 GDADMM O=C(N[C@H]1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001571147097 952657010 /nfs/dbraw/zinc/65/70/10/952657010.db2.gz SVEMVAUBEJYUGX-OCCSQVGLSA-N -1 1 379.428 1.452 20 0 GDADMM O=C(c1c[nH]cc1C1CC1)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001571147262 952660087 /nfs/dbraw/zinc/66/00/87/952660087.db2.gz VZAUACQPRCRJRH-UHFFFAOYSA-N -1 1 379.428 1.579 20 0 GDADMM O=C(c1c[nH]cc1C1CC1)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001571147262 952660090 /nfs/dbraw/zinc/66/00/90/952660090.db2.gz VZAUACQPRCRJRH-UHFFFAOYSA-N -1 1 379.428 1.579 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)nc1 ZINC001571147411 952660536 /nfs/dbraw/zinc/66/05/36/952660536.db2.gz MIYRCYXQZIYEMN-CYBMUJFWSA-N -1 1 379.428 1.184 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)nc1 ZINC001571147411 952660539 /nfs/dbraw/zinc/66/05/39/952660539.db2.gz MIYRCYXQZIYEMN-CYBMUJFWSA-N -1 1 379.428 1.184 20 0 GDADMM CCc1cncc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)[C@H]2C)c1 ZINC001571147810 952664701 /nfs/dbraw/zinc/66/47/01/952664701.db2.gz QNJAYCDXNWHLTG-BXUZGUMPSA-N -1 1 379.428 1.329 20 0 GDADMM CCc1cncc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)[C@H]2C)c1 ZINC001571147810 952664703 /nfs/dbraw/zinc/66/47/03/952664703.db2.gz QNJAYCDXNWHLTG-BXUZGUMPSA-N -1 1 379.428 1.329 20 0 GDADMM Cc1nccnc1[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC001571151965 952680115 /nfs/dbraw/zinc/68/01/15/952680115.db2.gz AKFJGQPRSLRTDB-SECBINFHSA-N -1 1 379.833 1.658 20 0 GDADMM COC(=O)c1ccc(CC(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)cn1 ZINC001571152250 952682294 /nfs/dbraw/zinc/68/22/94/952682294.db2.gz GCTSVNOYJSIRIX-UHFFFAOYSA-N -1 1 379.789 1.339 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2nc(Cl)c(-c3nnn[n-]3)s2)C1)c1cn[nH]c1 ZINC001571152220 952682307 /nfs/dbraw/zinc/68/23/07/952682307.db2.gz FAGAUZNHUWPYQP-FKQCQYRASA-N -1 1 379.837 1.320 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2nc(Cl)c(-c3nn[n-]n3)s2)C1)c1cn[nH]c1 ZINC001571152220 952682308 /nfs/dbraw/zinc/68/23/08/952682308.db2.gz FAGAUZNHUWPYQP-FKQCQYRASA-N -1 1 379.837 1.320 20 0 GDADMM CS[C@H](C)C(=O)N1C[C@@H]2CN(c3snc(C)c3-c3nn[n-]n3)C[C@@H]2C1 ZINC001571152903 952683584 /nfs/dbraw/zinc/68/35/84/952683584.db2.gz KQUNYAKPPQZJCX-MXWKQRLJSA-N -1 1 379.515 1.278 20 0 GDADMM O=C(N[C@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1)[C@H]1CC12CCC2 ZINC001571153671 952687051 /nfs/dbraw/zinc/68/70/51/952687051.db2.gz TYJQZBLMKCUIDK-DTWKUNHWSA-N -1 1 379.877 1.862 20 0 GDADMM O=C(N[C@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1)[C@H]1CC12CCC2 ZINC001571153671 952687054 /nfs/dbraw/zinc/68/70/54/952687054.db2.gz TYJQZBLMKCUIDK-DTWKUNHWSA-N -1 1 379.877 1.862 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@@H]2CCN(C(=O)[C@H](C)C(C)(F)F)C2)n1 ZINC001571154773 952689572 /nfs/dbraw/zinc/68/95/72/952689572.db2.gz BBHAACPKFBUNDV-WDEREUQCSA-N -1 1 380.403 1.294 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@@H]2CCN(C(=O)[C@H](C)C(C)(F)F)C2)n1 ZINC001571154773 952689576 /nfs/dbraw/zinc/68/95/76/952689576.db2.gz BBHAACPKFBUNDV-WDEREUQCSA-N -1 1 380.403 1.294 20 0 GDADMM Cc1cncc(C(=O)N[C@H]2CCCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)c1 ZINC001571156014 952700734 /nfs/dbraw/zinc/70/07/34/952700734.db2.gz ATZNUBCWGANIMQ-AWEZNQCLSA-N -1 1 379.428 1.067 20 0 GDADMM Cc1cncc(C(=O)N[C@H]2CCCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)c1 ZINC001571156014 952700737 /nfs/dbraw/zinc/70/07/37/952700737.db2.gz ATZNUBCWGANIMQ-AWEZNQCLSA-N -1 1 379.428 1.067 20 0 GDADMM Cc1cc[nH]c1C(=O)N[C@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001571156059 952701053 /nfs/dbraw/zinc/70/10/53/952701053.db2.gz BVWVJJBJJOOMNZ-LBPRGKRZSA-N -1 1 379.428 1.082 20 0 GDADMM Cc1cccc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)[C@H](C)C2)n1 ZINC001571156771 952704922 /nfs/dbraw/zinc/70/49/22/952704922.db2.gz JIWWGSHMIWVSOY-OLZOCXBDSA-N -1 1 379.428 1.147 20 0 GDADMM Cc1cc(C)nc(C(=O)N2CCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)c1 ZINC001571156850 952705562 /nfs/dbraw/zinc/70/55/62/952705562.db2.gz LGDWLCCXLBCHLF-CYBMUJFWSA-N -1 1 379.428 1.385 20 0 GDADMM Cc1cc(C)nc(C(=O)N2CCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)c1 ZINC001571156850 952705565 /nfs/dbraw/zinc/70/55/65/952705565.db2.gz LGDWLCCXLBCHLF-CYBMUJFWSA-N -1 1 379.428 1.385 20 0 GDADMM COc1ccccc1C(=O)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571158497 952712468 /nfs/dbraw/zinc/71/24/68/952712468.db2.gz JPSMULVNVRDZIL-GFCCVEGCSA-N -1 1 380.412 1.240 20 0 GDADMM COc1ccccc1C(=O)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571158497 952712472 /nfs/dbraw/zinc/71/24/72/952712472.db2.gz JPSMULVNVRDZIL-GFCCVEGCSA-N -1 1 380.412 1.240 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CC23CCN(c2ccc(-c4nnn[n-]4)nn2)CC3)o1 ZINC001571159337 952718206 /nfs/dbraw/zinc/71/82/06/952718206.db2.gz UUDAHHUYBHZCRB-AWEZNQCLSA-N -1 1 380.412 1.347 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CC23CCN(c2ccc(-c4nn[n-]n4)nn2)CC3)o1 ZINC001571159337 952718213 /nfs/dbraw/zinc/71/82/13/952718213.db2.gz UUDAHHUYBHZCRB-AWEZNQCLSA-N -1 1 380.412 1.347 20 0 GDADMM COc1cccc(C(=O)N[C@]2(C)CCN(c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571159272 952718832 /nfs/dbraw/zinc/71/88/32/952718832.db2.gz SOMKELPZXPBITA-GOSISDBHSA-N -1 1 380.412 1.064 20 0 GDADMM COc1cccc(C(=O)N[C@]2(C)CCN(c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571159272 952718838 /nfs/dbraw/zinc/71/88/38/952718838.db2.gz SOMKELPZXPBITA-GOSISDBHSA-N -1 1 380.412 1.064 20 0 GDADMM Cc1ccoc1C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001571160011 952722965 /nfs/dbraw/zinc/72/29/65/952722965.db2.gz AMSKKTYCTWWXHV-XQQFMLRXSA-N -1 1 380.412 1.345 20 0 GDADMM Cc1ccoc1C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001571160011 952722970 /nfs/dbraw/zinc/72/29/70/952722970.db2.gz AMSKKTYCTWWXHV-XQQFMLRXSA-N -1 1 380.412 1.345 20 0 GDADMM O=C(c1ccoc1C1CC1)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571160219 952723973 /nfs/dbraw/zinc/72/39/73/952723973.db2.gz FAZUINRQPUSZKM-LBPRGKRZSA-N -1 1 380.412 1.844 20 0 GDADMM O=C(c1ccoc1C1CC1)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571160219 952723976 /nfs/dbraw/zinc/72/39/76/952723976.db2.gz FAZUINRQPUSZKM-LBPRGKRZSA-N -1 1 380.412 1.844 20 0 GDADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)NC1CCC(O)(c2cccnc2)CC1 ZINC001571161267 952731956 /nfs/dbraw/zinc/73/19/56/952731956.db2.gz TWUDJODTLMPIMB-UHFFFAOYSA-N -1 1 380.412 1.609 20 0 GDADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)NC1CCC(O)(c2cccnc2)CC1 ZINC001571161267 952731959 /nfs/dbraw/zinc/73/19/59/952731959.db2.gz TWUDJODTLMPIMB-UHFFFAOYSA-N -1 1 380.412 1.609 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ocnc1C1CC1 ZINC001571169957 952780927 /nfs/dbraw/zinc/78/09/27/952780927.db2.gz AKYDEZBWUXOFIN-KOLCDFICSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ocnc1C1CC1 ZINC001571169957 952780929 /nfs/dbraw/zinc/78/09/29/952780929.db2.gz AKYDEZBWUXOFIN-KOLCDFICSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@]12CN(C(=O)C3CC4(CC4)C3)C[C@H]1CN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001571170061 952782543 /nfs/dbraw/zinc/78/25/43/952782543.db2.gz RRBXEUCQJZOMQW-ACJLOTCBSA-N -1 1 380.456 1.132 20 0 GDADMM C[C@]12CN(C(=O)C3CC4(CC4)C3)C[C@H]1CN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001571170061 952782547 /nfs/dbraw/zinc/78/25/47/952782547.db2.gz RRBXEUCQJZOMQW-ACJLOTCBSA-N -1 1 380.456 1.132 20 0 GDADMM Cc1ocnc1C(=O)N[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571171920 952799014 /nfs/dbraw/zinc/79/90/14/952799014.db2.gz IKVOJYTZSJCBFH-ZETCQYMHSA-N -1 1 380.821 1.282 20 0 GDADMM Cc1ocnc1C(=O)N[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571171920 952799017 /nfs/dbraw/zinc/79/90/17/952799017.db2.gz IKVOJYTZSJCBFH-ZETCQYMHSA-N -1 1 380.821 1.282 20 0 GDADMM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCCC12CC2 ZINC001571172582 952808427 /nfs/dbraw/zinc/80/84/27/952808427.db2.gz XTDZYOKNKMBYDM-OSFYFWSMSA-N -1 1 380.456 1.463 20 0 GDADMM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCCC12CC2 ZINC001571172582 952808434 /nfs/dbraw/zinc/80/84/34/952808434.db2.gz XTDZYOKNKMBYDM-OSFYFWSMSA-N -1 1 380.456 1.463 20 0 GDADMM Cn1c(=O)[nH]c(NC[C@H]2CCC(C)(C)c3ccccc32)c(-c2nn[n-]n2)c1=O ZINC001571181342 952863250 /nfs/dbraw/zinc/86/32/50/952863250.db2.gz UMHSUMZEUPHNMN-LLVKDONJSA-N -1 1 381.440 1.933 20 0 GDADMM CC[C@@H]1CN(C(=O)c2[nH]ccc2C)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571183794 952883572 /nfs/dbraw/zinc/88/35/72/952883572.db2.gz JSBGTVZEMMIYQI-OLZOCXBDSA-N -1 1 381.444 1.646 20 0 GDADMM CC[C@@H]1CN(C(=O)c2[nH]ccc2C)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571183794 952883576 /nfs/dbraw/zinc/88/35/76/952883576.db2.gz JSBGTVZEMMIYQI-OLZOCXBDSA-N -1 1 381.444 1.646 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](CNC(=O)c3[nH]ccc3C)C2)n1 ZINC001571183964 952885279 /nfs/dbraw/zinc/88/52/79/952885279.db2.gz NPSJPRNFBYAJBB-LBPRGKRZSA-N -1 1 381.444 1.112 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](CNC(=O)c3[nH]ccc3C)C2)n1 ZINC001571183964 952885288 /nfs/dbraw/zinc/88/52/88/952885288.db2.gz NPSJPRNFBYAJBB-LBPRGKRZSA-N -1 1 381.444 1.112 20 0 GDADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCCN(C(=O)c2cccn2C)C1 ZINC001571184397 952892071 /nfs/dbraw/zinc/89/20/71/952892071.db2.gz YJUNNLRGWHUBTN-QWHCGFSZSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCCN(C(=O)c2cccn2C)C1 ZINC001571184397 952892077 /nfs/dbraw/zinc/89/20/77/952892077.db2.gz YJUNNLRGWHUBTN-QWHCGFSZSA-N -1 1 381.444 1.348 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)c3cc[nH]c3C(C)C)C2)n1 ZINC001571185072 952900221 /nfs/dbraw/zinc/90/02/21/952900221.db2.gz IHAXWZWHWDZOKQ-LBPRGKRZSA-N -1 1 381.444 1.425 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)c3cc[nH]c3C(C)C)C2)n1 ZINC001571185072 952900223 /nfs/dbraw/zinc/90/02/23/952900223.db2.gz IHAXWZWHWDZOKQ-LBPRGKRZSA-N -1 1 381.444 1.425 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CC[C@@H](CCNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571185690 952903479 /nfs/dbraw/zinc/90/34/79/952903479.db2.gz OKIIDLRFGUGGIY-CYBMUJFWSA-N -1 1 381.444 1.566 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CC[C@@H](CCNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571185690 952903484 /nfs/dbraw/zinc/90/34/84/952903484.db2.gz OKIIDLRFGUGGIY-CYBMUJFWSA-N -1 1 381.444 1.566 20 0 GDADMM CCn1cccc1C(=O)N1CC[C@@H]([C@@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571186250 952905686 /nfs/dbraw/zinc/90/56/86/952905686.db2.gz UHMGNDXQHWBKJC-CHWSQXEVSA-N -1 1 381.444 1.441 20 0 GDADMM CCn1cccc1C(=O)N1CC[C@@H]([C@@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571186250 952905690 /nfs/dbraw/zinc/90/56/90/952905690.db2.gz UHMGNDXQHWBKJC-CHWSQXEVSA-N -1 1 381.444 1.441 20 0 GDADMM Cc1cc(C)c(C(=O)N2C[C@@H](C)[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)[nH]1 ZINC001571187733 952910144 /nfs/dbraw/zinc/91/01/44/952910144.db2.gz BGGCGPHBZYXBEM-YPMHNXCESA-N -1 1 381.444 1.422 20 0 GDADMM Cc1cc(C)c(C(=O)N2C[C@@H](C)[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)[nH]1 ZINC001571187733 952910148 /nfs/dbraw/zinc/91/01/48/952910148.db2.gz BGGCGPHBZYXBEM-YPMHNXCESA-N -1 1 381.444 1.422 20 0 GDADMM O=C(CCn1cccc1)N1CCC(CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571189306 952927994 /nfs/dbraw/zinc/92/79/94/952927994.db2.gz PKBZKNGSXXVRJZ-UHFFFAOYSA-N -1 1 381.444 1.199 20 0 GDADMM O=C(CCn1cccc1)N1CCC(CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571189306 952927997 /nfs/dbraw/zinc/92/79/97/952927997.db2.gz PKBZKNGSXXVRJZ-UHFFFAOYSA-N -1 1 381.444 1.199 20 0 GDADMM CC(C)[C@@H](O)CCNS(=O)(=O)c1c2ccccc2sc1-c1nn[n-]n1 ZINC001571190123 952939438 /nfs/dbraw/zinc/93/94/38/952939438.db2.gz FQAPGKHKVNACKZ-NSHDSACASA-N -1 1 381.483 1.767 20 0 GDADMM CC(C)[C@H](O)CCNS(=O)(=O)c1c2ccccc2sc1-c1nn[n-]n1 ZINC001571190122 952939617 /nfs/dbraw/zinc/93/96/17/952939617.db2.gz FQAPGKHKVNACKZ-LLVKDONJSA-N -1 1 381.483 1.767 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)(F)F)CC2)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571193887 952954359 /nfs/dbraw/zinc/95/43/59/952954359.db2.gz AIAAWLSNFZZCJI-SCZZXKLOSA-N -1 1 382.350 1.258 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)(F)F)CC2)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571193887 952954365 /nfs/dbraw/zinc/95/43/65/952954365.db2.gz AIAAWLSNFZZCJI-SCZZXKLOSA-N -1 1 382.350 1.258 20 0 GDADMM COC(=O)COc1ccc(N(C)C(=O)Cc2ccc(-c3nnn[n-]3)nc2)cc1 ZINC001571194049 952957318 /nfs/dbraw/zinc/95/73/18/952957318.db2.gz FIWUCMFWOKHIEB-UHFFFAOYSA-N -1 1 382.380 1.019 20 0 GDADMM COC(=O)COc1ccc(N(C)C(=O)Cc2ccc(-c3nn[n-]n3)nc2)cc1 ZINC001571194049 952957322 /nfs/dbraw/zinc/95/73/22/952957322.db2.gz FIWUCMFWOKHIEB-UHFFFAOYSA-N -1 1 382.380 1.019 20 0 GDADMM Cc1nc(O[C@H](C)C(F)(F)F)ccc1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001571194296 952961110 /nfs/dbraw/zinc/96/11/10/952961110.db2.gz JVLLKBBJKFLJLU-SSDOTTSWSA-N -1 1 382.306 1.875 20 0 GDADMM Cc1nc(O[C@H](C)C(F)(F)F)ccc1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001571194296 952961117 /nfs/dbraw/zinc/96/11/17/952961117.db2.gz JVLLKBBJKFLJLU-SSDOTTSWSA-N -1 1 382.306 1.875 20 0 GDADMM Cc1cccc(F)c1C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571195508 952976370 /nfs/dbraw/zinc/97/63/70/952976370.db2.gz AROPAIJVJMHFLV-GFCCVEGCSA-N -1 1 382.403 1.243 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)cc(C)c1F ZINC001571196475 952981974 /nfs/dbraw/zinc/98/19/74/952981974.db2.gz KZTAFJGLEIDSOI-ZDUSSCGKSA-N -1 1 382.403 1.421 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)cc(C)c1F ZINC001571196475 952981980 /nfs/dbraw/zinc/98/19/80/952981980.db2.gz KZTAFJGLEIDSOI-ZDUSSCGKSA-N -1 1 382.403 1.421 20 0 GDADMM O=C(CCc1ccc(F)cc1)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571196924 952984810 /nfs/dbraw/zinc/98/48/10/952984810.db2.gz PZVCUESLFCHTDR-AWEZNQCLSA-N -1 1 382.403 1.441 20 0 GDADMM O=C(CCc1ccc(F)cc1)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571196924 952984821 /nfs/dbraw/zinc/98/48/21/952984821.db2.gz PZVCUESLFCHTDR-AWEZNQCLSA-N -1 1 382.403 1.441 20 0 GDADMM Cc1cccc(F)c1C(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571197096 952985554 /nfs/dbraw/zinc/98/55/54/952985554.db2.gz RTOVOSPRKPYNNF-HAQNSBGRSA-N -1 1 382.403 1.725 20 0 GDADMM Cc1cccc(F)c1C(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571197096 952985557 /nfs/dbraw/zinc/98/55/57/952985557.db2.gz RTOVOSPRKPYNNF-HAQNSBGRSA-N -1 1 382.403 1.725 20 0 GDADMM O=C(Cc1ccc(F)cc1)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571197295 952988069 /nfs/dbraw/zinc/98/80/69/952988069.db2.gz VRNJSANEWBIALS-AWEZNQCLSA-N -1 1 382.403 1.441 20 0 GDADMM O=C(Cc1ccc(F)cc1)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571197295 952988072 /nfs/dbraw/zinc/98/80/72/952988072.db2.gz VRNJSANEWBIALS-AWEZNQCLSA-N -1 1 382.403 1.441 20 0 GDADMM C[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccc(F)cc1 ZINC001571197299 952988773 /nfs/dbraw/zinc/98/87/73/952988773.db2.gz VWARDTVHVUGUAL-BXUZGUMPSA-N -1 1 382.403 1.901 20 0 GDADMM C[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccc(F)cc1 ZINC001571197299 952988775 /nfs/dbraw/zinc/98/87/75/952988775.db2.gz VWARDTVHVUGUAL-BXUZGUMPSA-N -1 1 382.403 1.901 20 0 GDADMM CCc1occc1C(=O)N[C@@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001571198961 952995543 /nfs/dbraw/zinc/99/55/43/952995543.db2.gz IUXAKGZPDCTVPC-XYPYZODXSA-N -1 1 382.428 1.747 20 0 GDADMM CCc1occc1C(=O)N[C@@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001571198961 952995548 /nfs/dbraw/zinc/99/55/48/952995548.db2.gz IUXAKGZPDCTVPC-XYPYZODXSA-N -1 1 382.428 1.747 20 0 GDADMM O=C(Cc1cccc(F)c1)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571199755 953003756 /nfs/dbraw/zinc/00/37/56/953003756.db2.gz BGBFXDZNEDGHSG-AWEZNQCLSA-N -1 1 382.403 1.441 20 0 GDADMM O=C(Cc1cccc(F)c1)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571199755 953003763 /nfs/dbraw/zinc/00/37/63/953003763.db2.gz BGBFXDZNEDGHSG-AWEZNQCLSA-N -1 1 382.403 1.441 20 0 GDADMM O=C(Cc1cccc(F)c1)NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571199735 953004620 /nfs/dbraw/zinc/00/46/20/953004620.db2.gz APSQFOXSCBVNAS-UHFFFAOYSA-N -1 1 382.403 1.345 20 0 GDADMM O=C(Cc1cccc(F)c1)NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571199735 953004623 /nfs/dbraw/zinc/00/46/23/953004623.db2.gz APSQFOXSCBVNAS-UHFFFAOYSA-N -1 1 382.403 1.345 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C(C)(C)C1)c1ccco1 ZINC001571199799 953005379 /nfs/dbraw/zinc/00/53/79/953005379.db2.gz CHUVULXJWMVHMV-SMDDNHRTSA-N -1 1 382.428 1.702 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C(C)(C)C1)c1ccco1 ZINC001571199799 953005383 /nfs/dbraw/zinc/00/53/83/953005383.db2.gz CHUVULXJWMVHMV-SMDDNHRTSA-N -1 1 382.428 1.702 20 0 GDADMM Cc1cocc1C(=O)N1CCCC[C@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001571200194 953007807 /nfs/dbraw/zinc/00/78/07/953007807.db2.gz BSAMLNBHEZQHFQ-ZDUSSCGKSA-N -1 1 382.428 1.689 20 0 GDADMM Cc1cocc1C(=O)N1CCCC[C@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001571200194 953007810 /nfs/dbraw/zinc/00/78/10/953007810.db2.gz BSAMLNBHEZQHFQ-ZDUSSCGKSA-N -1 1 382.428 1.689 20 0 GDADMM O=C(N[C@H]1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)c1ccc(F)cc1 ZINC001571200547 953009727 /nfs/dbraw/zinc/00/97/27/953009727.db2.gz JPOWDUOZKBFEJP-RISCZKNCSA-N -1 1 382.403 1.806 20 0 GDADMM O=C(N[C@H]1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)c1ccc(F)cc1 ZINC001571200547 953009729 /nfs/dbraw/zinc/00/97/29/953009729.db2.gz JPOWDUOZKBFEJP-RISCZKNCSA-N -1 1 382.403 1.806 20 0 GDADMM Cc1cc(C(=O)N2CCCC[C@H]2[C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)co1 ZINC001571200584 953010669 /nfs/dbraw/zinc/01/06/69/953010669.db2.gz FEOSPAXRKAQKAM-JSGCOSHPSA-N -1 1 382.428 1.475 20 0 GDADMM Cc1coc(C)c1C(=O)N[C@@H]1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571200748 953012195 /nfs/dbraw/zinc/01/21/95/953012195.db2.gz FRHCBXQOKOHZQK-CHWSQXEVSA-N -1 1 382.428 1.877 20 0 GDADMM Cc1coc(C)c1C(=O)N[C@@H]1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571200748 953012199 /nfs/dbraw/zinc/01/21/99/953012199.db2.gz FRHCBXQOKOHZQK-CHWSQXEVSA-N -1 1 382.428 1.877 20 0 GDADMM Cc1coc(C)c1C(=O)N1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1 ZINC001571200803 953012298 /nfs/dbraw/zinc/01/22/98/953012298.db2.gz GMRZBOHRRBRGLU-CYBMUJFWSA-N -1 1 382.428 1.829 20 0 GDADMM Cc1coc(C)c1C(=O)N1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C1 ZINC001571200803 953012302 /nfs/dbraw/zinc/01/23/02/953012302.db2.gz GMRZBOHRRBRGLU-CYBMUJFWSA-N -1 1 382.428 1.829 20 0 GDADMM Cc1ccc(C(=O)N(C)C2CCC(Nc3ccnc(-c4nn[n-]n4)n3)CC2)o1 ZINC001571200853 953013062 /nfs/dbraw/zinc/01/30/62/953013062.db2.gz GZJKITOIYMEWKR-UHFFFAOYSA-N -1 1 382.428 1.475 20 0 GDADMM CC(C)c1ccoc1C(=O)NC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571201135 953015227 /nfs/dbraw/zinc/01/52/27/953015227.db2.gz NOEZLHHRVITAHS-LBPRGKRZSA-N -1 1 382.428 1.629 20 0 GDADMM CC(C)c1ccoc1C(=O)NC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571201135 953015232 /nfs/dbraw/zinc/01/52/32/953015232.db2.gz NOEZLHHRVITAHS-LBPRGKRZSA-N -1 1 382.428 1.629 20 0 GDADMM O=S1(=O)CC[C@@H](Cc2nnc(SCc3ccc(-c4nnn[n-]4)o3)o2)C1 ZINC001571202022 953022313 /nfs/dbraw/zinc/02/23/13/953022313.db2.gz ULRVWDJXEPNJRK-QMMMGPOBSA-N -1 1 382.427 1.112 20 0 GDADMM O=S1(=O)CC[C@@H](Cc2nnc(SCc3ccc(-c4nn[n-]n4)o3)o2)C1 ZINC001571202022 953022318 /nfs/dbraw/zinc/02/23/18/953022318.db2.gz ULRVWDJXEPNJRK-QMMMGPOBSA-N -1 1 382.427 1.112 20 0 GDADMM O=C(CCc1ccco1)N1CCC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571204707 953032084 /nfs/dbraw/zinc/03/20/84/953032084.db2.gz CHKPUHSBWHAWOF-ZDUSSCGKSA-N -1 1 382.428 1.533 20 0 GDADMM O=C(CCc1ccco1)N1CCC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571204707 953032088 /nfs/dbraw/zinc/03/20/88/953032088.db2.gz CHKPUHSBWHAWOF-ZDUSSCGKSA-N -1 1 382.428 1.533 20 0 GDADMM Cc1occc1C(=O)N[C@@H](C)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571205775 953042168 /nfs/dbraw/zinc/04/21/68/953042168.db2.gz LVNMAOOFTVPSLO-AAEUAGOBSA-N -1 1 382.428 1.593 20 0 GDADMM Cc1occc1C(=O)N[C@@H](C)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571205775 953042172 /nfs/dbraw/zinc/04/21/72/953042172.db2.gz LVNMAOOFTVPSLO-AAEUAGOBSA-N -1 1 382.428 1.593 20 0 GDADMM Cc1c[nH]nc1C(=O)N1CCC([C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571206410 953051238 /nfs/dbraw/zinc/05/12/38/953051238.db2.gz GPJWAHSETZUHOZ-NSHDSACASA-N -1 1 382.432 1.041 20 0 GDADMM Cc1c[nH]nc1C(=O)N1CCC([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571206410 953051241 /nfs/dbraw/zinc/05/12/41/953051241.db2.gz GPJWAHSETZUHOZ-NSHDSACASA-N -1 1 382.432 1.041 20 0 GDADMM CC(C)n1ccc(C(=O)N2CCC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571207120 953059708 /nfs/dbraw/zinc/05/97/08/953059708.db2.gz WAFOFIWCNZAWLJ-GFCCVEGCSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1ccc(C(=O)N2CCC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571207120 953059713 /nfs/dbraw/zinc/05/97/13/953059713.db2.gz WAFOFIWCNZAWLJ-GFCCVEGCSA-N -1 1 382.432 1.151 20 0 GDADMM Cc1oc(C)c(C(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H](C)C2)c1C ZINC001571207153 953060304 /nfs/dbraw/zinc/06/03/04/953060304.db2.gz WIKFGIXVDKKDHA-XPTSAGLGSA-N -1 1 382.428 1.748 20 0 GDADMM Cc1oc(C)c(C(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H](C)C2)c1C ZINC001571207153 953060306 /nfs/dbraw/zinc/06/03/06/953060306.db2.gz WIKFGIXVDKKDHA-XPTSAGLGSA-N -1 1 382.428 1.748 20 0 GDADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)c1cccs1 ZINC001571209695 953065759 /nfs/dbraw/zinc/06/57/59/953065759.db2.gz BEHOZXQPCBPUET-YOGCLGLASA-N -1 1 382.453 1.648 20 0 GDADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)c1cccs1 ZINC001571209695 953065764 /nfs/dbraw/zinc/06/57/64/953065764.db2.gz BEHOZXQPCBPUET-YOGCLGLASA-N -1 1 382.453 1.648 20 0 GDADMM O=C(c1cccs1)N1CCC[C@@H]2[C@H]1CCN2c1nccnc1-c1nnn[n-]1 ZINC001571210230 953071551 /nfs/dbraw/zinc/07/15/51/953071551.db2.gz OYYXKYUNNVCCHX-VXGBXAGGSA-N -1 1 382.453 1.602 20 0 GDADMM O=C(c1cccs1)N1CCC[C@@H]2[C@H]1CCN2c1nccnc1-c1nn[n-]n1 ZINC001571210230 953071555 /nfs/dbraw/zinc/07/15/55/953071555.db2.gz OYYXKYUNNVCCHX-VXGBXAGGSA-N -1 1 382.453 1.602 20 0 GDADMM CN(C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1C1CCC1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571211532 953077338 /nfs/dbraw/zinc/07/73/38/953077338.db2.gz ARMLHVDWZVKANP-SOUVJXGZSA-N -1 1 382.472 1.520 20 0 GDADMM CN(C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1C1CCC1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571211532 953077343 /nfs/dbraw/zinc/07/73/43/953077343.db2.gz ARMLHVDWZVKANP-SOUVJXGZSA-N -1 1 382.472 1.520 20 0 GDADMM CC1(C(=O)N2CCC[C@H]([C@@H]3CCN(c4cncc(-c5nnn[n-]5)n4)C3)C2)CC1 ZINC001571211768 953080638 /nfs/dbraw/zinc/08/06/38/953080638.db2.gz FQPRREFJIAAQHN-UONOGXRCSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C(=O)N2CCC[C@H]([C@@H]3CCN(c4cncc(-c5nn[n-]n5)n4)C3)C2)CC1 ZINC001571211768 953080640 /nfs/dbraw/zinc/08/06/40/953080640.db2.gz FQPRREFJIAAQHN-UONOGXRCSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1NC(=O)C1CCC2(CC2)CC1 ZINC001571211791 953081631 /nfs/dbraw/zinc/08/16/31/953081631.db2.gz GSJDIHKUJMXWET-IUODEOHRSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)C1CCC2(CC2)CC1 ZINC001571211791 953081632 /nfs/dbraw/zinc/08/16/32/953081632.db2.gz GSJDIHKUJMXWET-IUODEOHRSA-N -1 1 382.472 1.568 20 0 GDADMM CCc1nc(N[C@H]2CN(C(=O)[C@H]3CC34CC4)CC2(C)C)cc(-c2nnn[n-]2)n1 ZINC001571212101 953083680 /nfs/dbraw/zinc/08/36/80/953083680.db2.gz IWKXYZMUBOBJCF-YPMHNXCESA-N -1 1 382.472 1.668 20 0 GDADMM CCc1nc(N[C@H]2CN(C(=O)[C@H]3CC34CC4)CC2(C)C)cc(-c2nn[n-]n2)n1 ZINC001571212101 953083686 /nfs/dbraw/zinc/08/36/86/953083686.db2.gz IWKXYZMUBOBJCF-YPMHNXCESA-N -1 1 382.472 1.668 20 0 GDADMM C[C@@H]1CC2(CN1C(=O)CC1CC1)CCN(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001571212069 953084377 /nfs/dbraw/zinc/08/43/77/953084377.db2.gz IHQDWRUNAHODKO-CYBMUJFWSA-N -1 1 382.472 1.664 20 0 GDADMM C[C@@H]1CC2(CN1C(=O)CC1CC1)CCN(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001571212069 953084382 /nfs/dbraw/zinc/08/43/82/953084382.db2.gz IHQDWRUNAHODKO-CYBMUJFWSA-N -1 1 382.472 1.664 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@@H]2CCN(C(=O)[C@H]3[C@@H]4CCCC[C@@H]43)C2)n1 ZINC001571212942 953091268 /nfs/dbraw/zinc/09/12/68/953091268.db2.gz OIMWBJIJVPVUIB-NYTXWWLZSA-N -1 1 382.472 1.438 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@@H]2CCN(C(=O)[C@H]3[C@@H]4CCCC[C@@H]43)C2)n1 ZINC001571212942 953091271 /nfs/dbraw/zinc/09/12/71/953091271.db2.gz OIMWBJIJVPVUIB-NYTXWWLZSA-N -1 1 382.472 1.438 20 0 GDADMM CC[C@H]1CN(C(=O)C2(C3CC3)CC2)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571213676 953096173 /nfs/dbraw/zinc/09/61/73/953096173.db2.gz TXDIXKFVRDACKZ-GXTWGEPZSA-N -1 1 382.472 1.308 20 0 GDADMM CC(C)C[C@@H]1C[C@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001571213682 953096421 /nfs/dbraw/zinc/09/64/21/953096421.db2.gz UBLNJBFVRJIVDL-APIJFGDWSA-N -1 1 382.472 1.234 20 0 GDADMM CC(C)C[C@@H]1C[C@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001571213682 953096426 /nfs/dbraw/zinc/09/64/26/953096426.db2.gz UBLNJBFVRJIVDL-APIJFGDWSA-N -1 1 382.472 1.234 20 0 GDADMM CC1(C)[C@H](NC(=O)CC2CC2)[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)[C@H]21 ZINC001571214052 953099602 /nfs/dbraw/zinc/09/96/02/953099602.db2.gz VWWXBPWTTRWDQF-JCURWCKSSA-N -1 1 382.472 1.566 20 0 GDADMM CC1(C)[C@H](NC(=O)CC2CC2)[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)[C@H]21 ZINC001571214052 953099606 /nfs/dbraw/zinc/09/96/06/953099606.db2.gz VWWXBPWTTRWDQF-JCURWCKSSA-N -1 1 382.472 1.566 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](NC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)C2)n1 ZINC001571214408 953101482 /nfs/dbraw/zinc/10/14/82/953101482.db2.gz YHKLPSMQJBMWCD-TTZDDIAXSA-N -1 1 382.472 1.486 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](NC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)C2)n1 ZINC001571214408 953101485 /nfs/dbraw/zinc/10/14/85/953101485.db2.gz YHKLPSMQJBMWCD-TTZDDIAXSA-N -1 1 382.472 1.486 20 0 GDADMM C[C@@H]1CCC[C@]1(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001571214446 953101853 /nfs/dbraw/zinc/10/18/53/953101853.db2.gz YSKPKAFTTOQOGC-PXWIGAEESA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H]1CCC[C@]1(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001571214446 953101858 /nfs/dbraw/zinc/10/18/58/953101858.db2.gz YSKPKAFTTOQOGC-PXWIGAEESA-N -1 1 382.472 1.663 20 0 GDADMM CC1(Nc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)c2ncccc2F)CC1 ZINC001571216629 953102616 /nfs/dbraw/zinc/10/26/16/953102616.db2.gz ADGRGQVXIWCTMV-UHFFFAOYSA-N -1 1 383.391 1.298 20 0 GDADMM CC1(Nc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)c2ncccc2F)CC1 ZINC001571216629 953102619 /nfs/dbraw/zinc/10/26/19/953102619.db2.gz ADGRGQVXIWCTMV-UHFFFAOYSA-N -1 1 383.391 1.298 20 0 GDADMM CC1(CC(=O)N2CCC[C@]3(CCN(c4nccnc4-c4nnn[n-]4)C3)C2)CC1 ZINC001571214454 953102681 /nfs/dbraw/zinc/10/26/81/953102681.db2.gz YUGKJKVHIQOZDX-IBGZPJMESA-N -1 1 382.472 1.666 20 0 GDADMM CC1(CC(=O)N2CCC[C@]3(CCN(c4nccnc4-c4nn[n-]n4)C3)C2)CC1 ZINC001571214454 953102683 /nfs/dbraw/zinc/10/26/83/953102683.db2.gz YUGKJKVHIQOZDX-IBGZPJMESA-N -1 1 382.472 1.666 20 0 GDADMM O=C([C@@H]1C[C@H]1C1CCC1)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571216817 953104334 /nfs/dbraw/zinc/10/43/34/953104334.db2.gz AQCGDZFBHYBXAO-LSDHHAIUSA-N -1 1 382.472 1.165 20 0 GDADMM O=C(NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1)[C@@H]1CCCC2(CC2)C1 ZINC001571216813 953104541 /nfs/dbraw/zinc/10/45/41/953104541.db2.gz APJCATXKAGIUGG-ROKHWSDSSA-N -1 1 382.472 1.934 20 0 GDADMM O=C(NCC1CC(Nc2cncc(-c3nn[n-]n3)n2)C1)[C@@H]1CCCC2(CC2)C1 ZINC001571216813 953104545 /nfs/dbraw/zinc/10/45/45/953104545.db2.gz APJCATXKAGIUGG-ROKHWSDSSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@H]1CN(C(=O)c2cncc(F)c2)CC[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571218266 953113770 /nfs/dbraw/zinc/11/37/70/953113770.db2.gz UVROEGWCQHVDLX-GWCFXTLKSA-N -1 1 383.391 1.154 20 0 GDADMM C[C@H]1CN(C(=O)c2cncc(F)c2)CC[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571218266 953113774 /nfs/dbraw/zinc/11/37/74/953113774.db2.gz UVROEGWCQHVDLX-GWCFXTLKSA-N -1 1 383.391 1.154 20 0 GDADMM O=C([C@@H]1C[C@H]1C1CCC1)N1CCC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571218801 953119634 /nfs/dbraw/zinc/11/96/34/953119634.db2.gz RLFFQMABIJSELT-VHDGCEQUSA-N -1 1 382.472 1.165 20 0 GDADMM O=C(NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)[C@@H]1CCCC2(CC2)C1 ZINC001571219394 953125736 /nfs/dbraw/zinc/12/57/36/953125736.db2.gz YVIWHZZKRHODGX-ZIAGYGMSSA-N -1 1 382.472 1.570 20 0 GDADMM O=C(NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)[C@@H]1CCCC2(CC2)C1 ZINC001571219394 953125742 /nfs/dbraw/zinc/12/57/42/953125742.db2.gz YVIWHZZKRHODGX-ZIAGYGMSSA-N -1 1 382.472 1.570 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccon2)[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001571222079 953130433 /nfs/dbraw/zinc/13/04/33/953130433.db2.gz BISKKHINSLTYFF-YPMHNXCESA-N -1 1 383.416 1.388 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccon2)[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001571222079 953130436 /nfs/dbraw/zinc/13/04/36/953130436.db2.gz BISKKHINSLTYFF-YPMHNXCESA-N -1 1 383.416 1.388 20 0 GDADMM CCc1nc(C(=O)N[C@@H]2CCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)co1 ZINC001571222335 953133095 /nfs/dbraw/zinc/13/30/95/953133095.db2.gz GMWKYLZHFJHRGW-GHMZBOCLSA-N -1 1 383.416 1.218 20 0 GDADMM CCc1nc(C(=O)N[C@@H]2CCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)co1 ZINC001571222335 953133101 /nfs/dbraw/zinc/13/31/01/953133101.db2.gz GMWKYLZHFJHRGW-GHMZBOCLSA-N -1 1 383.416 1.218 20 0 GDADMM CCN(C(=O)c1nc(C)oc1C)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571222547 953135727 /nfs/dbraw/zinc/13/57/27/953135727.db2.gz IRXGIGDXRMVRSN-LBPRGKRZSA-N -1 1 383.416 1.003 20 0 GDADMM CCN(C(=O)c1nc(C)oc1C)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571222547 953135729 /nfs/dbraw/zinc/13/57/29/953135729.db2.gz IRXGIGDXRMVRSN-LBPRGKRZSA-N -1 1 383.416 1.003 20 0 GDADMM CCc1ocnc1C(=O)N[C@@H]1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571223047 953141607 /nfs/dbraw/zinc/14/16/07/953141607.db2.gz PNOWADPXGVHPEX-WDEREUQCSA-N -1 1 383.416 1.218 20 0 GDADMM CCc1ocnc1C(=O)N[C@@H]1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571223047 953141609 /nfs/dbraw/zinc/14/16/09/953141609.db2.gz PNOWADPXGVHPEX-WDEREUQCSA-N -1 1 383.416 1.218 20 0 GDADMM Cc1nc(C)c(C(=O)N[C@H]2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)o1 ZINC001571224732 953150477 /nfs/dbraw/zinc/15/04/77/953150477.db2.gz FGYPMJLDHSRALA-NEPJUHHUSA-N -1 1 383.416 1.415 20 0 GDADMM Cc1nc(C)c(C(=O)N[C@H]2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)o1 ZINC001571224732 953150479 /nfs/dbraw/zinc/15/04/79/953150479.db2.gz FGYPMJLDHSRALA-NEPJUHHUSA-N -1 1 383.416 1.415 20 0 GDADMM Cc1nc(C)c(C(=O)N2CCC(N(C)c3nccnc3-c3nnn[n-]3)CC2)o1 ZINC001571225158 953152024 /nfs/dbraw/zinc/15/20/24/953152024.db2.gz HXPJRFOJULMGOQ-UHFFFAOYSA-N -1 1 383.416 1.003 20 0 GDADMM Cc1nc(C)c(C(=O)N2CCC(N(C)c3nccnc3-c3nn[n-]n3)CC2)o1 ZINC001571225158 953152028 /nfs/dbraw/zinc/15/20/28/953152028.db2.gz HXPJRFOJULMGOQ-UHFFFAOYSA-N -1 1 383.416 1.003 20 0 GDADMM Cc1nc(C(C)C)oc1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571226477 953155829 /nfs/dbraw/zinc/15/58/29/953155829.db2.gz RSDYWJFNZUWMRV-NSHDSACASA-N -1 1 383.416 1.085 20 0 GDADMM Cc1nc(C(C)C)oc1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571226477 953155831 /nfs/dbraw/zinc/15/58/31/953155831.db2.gz RSDYWJFNZUWMRV-NSHDSACASA-N -1 1 383.416 1.085 20 0 GDADMM Cc1nsc(NC[C@]2(C)CCN(C(=O)[C@H]3CC3(F)F)C2)c1-c1nn[n-]n1 ZINC001571229230 953168509 /nfs/dbraw/zinc/16/85/09/953168509.db2.gz BEWINJAQXOBCKL-OTYXRUKQSA-N -1 1 383.428 1.937 20 0 GDADMM Cc1nsc(N2CC[C@@H](N(C)C(=O)[C@H]3C[C@@H]3C(F)F)C2)c1-c1nn[n-]n1 ZINC001571229454 953170008 /nfs/dbraw/zinc/17/00/08/953170008.db2.gz FRZYXGXRLKDZHI-UTLUCORTSA-N -1 1 383.428 1.570 20 0 GDADMM O=C(C[C@H]1CCCO1)N1CC[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571235147 953209559 /nfs/dbraw/zinc/20/95/59/953209559.db2.gz UZOHNYOOJGKEIG-RKDXNWHRSA-N -1 1 383.865 1.559 20 0 GDADMM O=C(C[C@H]1CCCO1)N1CC[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571235147 953209564 /nfs/dbraw/zinc/20/95/64/953209564.db2.gz UZOHNYOOJGKEIG-RKDXNWHRSA-N -1 1 383.865 1.559 20 0 GDADMM COCC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001571235270 953210977 /nfs/dbraw/zinc/21/09/77/953210977.db2.gz YQEQOCCTDNMCOX-BDAKNGLRSA-N -1 1 383.865 1.193 20 0 GDADMM C[C@H]1CCN(C(=O)C2=COCCC2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571242717 953259432 /nfs/dbraw/zinc/25/94/32/953259432.db2.gz MKPLPQVCFNTMHT-GXTWGEPZSA-N -1 1 384.444 1.248 20 0 GDADMM C[C@H]1CCN(C(=O)C2=COCCC2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571242717 953259434 /nfs/dbraw/zinc/25/94/34/953259434.db2.gz MKPLPQVCFNTMHT-GXTWGEPZSA-N -1 1 384.444 1.248 20 0 GDADMM C[C@@H]1CN(C(=O)Cc2ccsc2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571244550 953264948 /nfs/dbraw/zinc/26/49/48/953264948.db2.gz AMLDKBUEXGFBIF-YPMHNXCESA-N -1 1 384.469 1.467 20 0 GDADMM C[C@@H]1CN(C(=O)Cc2ccsc2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571244550 953264951 /nfs/dbraw/zinc/26/49/51/953264951.db2.gz AMLDKBUEXGFBIF-YPMHNXCESA-N -1 1 384.469 1.467 20 0 GDADMM Cc1ccsc1C(=O)N1CC[C@H]([C@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571244638 953265928 /nfs/dbraw/zinc/26/59/28/953265928.db2.gz CUAFETGLQZAJQL-RYUDHWBXSA-N -1 1 384.469 1.989 20 0 GDADMM Cc1ccsc1C(=O)N1CC[C@H]([C@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571244638 953265929 /nfs/dbraw/zinc/26/59/29/953265929.db2.gz CUAFETGLQZAJQL-RYUDHWBXSA-N -1 1 384.469 1.989 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)s1 ZINC001571244746 953266611 /nfs/dbraw/zinc/26/66/11/953266611.db2.gz HJEQWKBSKCMCOI-LBPRGKRZSA-N -1 1 384.469 1.591 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)s1 ZINC001571244746 953266614 /nfs/dbraw/zinc/26/66/14/953266614.db2.gz HJEQWKBSKCMCOI-LBPRGKRZSA-N -1 1 384.469 1.591 20 0 GDADMM Cc1ccc(C(=O)NC[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C)s1 ZINC001571244868 953268270 /nfs/dbraw/zinc/26/82/70/953268270.db2.gz KSETYLUVLFFCBQ-ZYHUDNBSSA-N -1 1 384.469 1.529 20 0 GDADMM Cc1ccc(C(=O)NC[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C)s1 ZINC001571244868 953268272 /nfs/dbraw/zinc/26/82/72/953268272.db2.gz KSETYLUVLFFCBQ-ZYHUDNBSSA-N -1 1 384.469 1.529 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1)c1cccs1 ZINC001571245090 953269464 /nfs/dbraw/zinc/26/94/64/953269464.db2.gz DHOVDIATVGIFPX-VXGBXAGGSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1)c1cccs1 ZINC001571245090 953269466 /nfs/dbraw/zinc/26/94/66/953269466.db2.gz DHOVDIATVGIFPX-VXGBXAGGSA-N -1 1 384.469 1.559 20 0 GDADMM CCN(C(=O)c1cscc1C)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571245157 953270413 /nfs/dbraw/zinc/27/04/13/953270413.db2.gz OUCNCAIHMFRAOM-GFCCVEGCSA-N -1 1 384.469 1.768 20 0 GDADMM CCN(C(=O)c1cscc1C)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571245157 953270415 /nfs/dbraw/zinc/27/04/15/953270415.db2.gz OUCNCAIHMFRAOM-GFCCVEGCSA-N -1 1 384.469 1.768 20 0 GDADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)CCc2cccs2)C1 ZINC001571245314 953272293 /nfs/dbraw/zinc/27/22/93/953272293.db2.gz ROZDCYURMIJAIS-LBPRGKRZSA-N -1 1 384.469 1.388 20 0 GDADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)CCc2cccs2)C1 ZINC001571245314 953272299 /nfs/dbraw/zinc/27/22/99/953272299.db2.gz ROZDCYURMIJAIS-LBPRGKRZSA-N -1 1 384.469 1.388 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccsc2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571245517 953274680 /nfs/dbraw/zinc/27/46/80/953274680.db2.gz 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Cc1scc(C(=O)N2CC[C@H](N(C)c3nccnc3-c3nn[n-]n3)C2)c1C ZINC001571248472 953293652 /nfs/dbraw/zinc/29/36/52/953293652.db2.gz VCIBORAYNSNMSZ-LBPRGKRZSA-N -1 1 384.469 1.686 20 0 GDADMM C[C@@H]1CCC[C@]1(C)C(=O)N1CCC(N(C)c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571249108 953300858 /nfs/dbraw/zinc/30/08/58/953300858.db2.gz DGTMMSCCNCTLDF-YJYMSZOUSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCC[C@]1(C)C(=O)N1CCC(N(C)c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571249108 953300860 /nfs/dbraw/zinc/30/08/60/953300860.db2.gz DGTMMSCCNCTLDF-YJYMSZOUSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)(C(=O)N1CCC[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001571249711 953306547 /nfs/dbraw/zinc/30/65/47/953306547.db2.gz KQOKWEYMFCLCMZ-CYBMUJFWSA-N -1 1 384.488 1.555 20 0 GDADMM CC1(C)CC[C@@H](C(=O)NC2(C)CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001571250251 953309369 /nfs/dbraw/zinc/30/93/69/953309369.db2.gz PDKBHLOUQITVLM-CYBMUJFWSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CC[C@@H](C(=O)NC2(C)CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)C1 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CO[C@@H]1[C@H](C)[C@@H](NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1(C)C ZINC000332425613 532186258 /nfs/dbraw/zinc/18/62/58/532186258.db2.gz FDBQFEORJDCMSF-OWYVNGRQSA-N -1 1 394.490 1.535 20 0 GDADMM Cc1nc(S(=O)(=O)[N-][C@@]2(C)CCO[C@@H]2C2CC2)c(Br)n1C ZINC000376317196 532206061 /nfs/dbraw/zinc/20/60/61/532206061.db2.gz SRIFFVRXMFBMBJ-MFKMUULPSA-N -1 1 378.292 1.727 20 0 GDADMM CN1CCO[C@H](C[N-]S(=O)(=O)c2cc(Br)sc2Cl)C1 ZINC000333428855 532234398 /nfs/dbraw/zinc/23/43/98/532234398.db2.gz JRUJSMVZSNUBSY-SSDOTTSWSA-N -1 1 389.724 1.773 20 0 GDADMM COc1ccc(NC(=O)NC[C@@](C)(O)C(F)(F)F)cc1[N-]S(C)(=O)=O ZINC000274801329 532234659 /nfs/dbraw/zinc/23/46/59/532234659.db2.gz FKOQEYHHYPQJQI-GFCCVEGCSA-N -1 1 385.364 1.502 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CC[S@]1=O ZINC000430333356 532246645 /nfs/dbraw/zinc/24/66/45/532246645.db2.gz AECZZSROCCSWMW-BSNNYGBQSA-N -1 1 376.500 1.340 20 0 GDADMM CCOC(=O)[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000287900417 532249396 /nfs/dbraw/zinc/24/93/96/532249396.db2.gz SEASXBXZEVNBGY-HTQZYQBOSA-N -1 1 382.280 1.357 20 0 GDADMM Cc1cc(S(=O)(=O)NCCNC(=O)C(=O)c2ccc([O-])cc2)c(C)s1 ZINC000288079704 532262603 /nfs/dbraw/zinc/26/26/03/532262603.db2.gz HFDRDCMASYWEIO-UHFFFAOYSA-N -1 1 382.463 1.348 20 0 GDADMM Cc1ccc(Br)c(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)c1 ZINC000275296069 532284667 /nfs/dbraw/zinc/28/46/67/532284667.db2.gz MPPZNXDSHZDQAC-UHFFFAOYSA-N -1 1 391.287 1.539 20 0 GDADMM CCc1cccnc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CC[C@H]1C(C)C ZINC000349452694 532287182 /nfs/dbraw/zinc/28/71/82/532287182.db2.gz DFPSZJNCQFTIQR-HNNXBMFYSA-N -1 1 389.543 1.836 20 0 GDADMM Cn1cnc(S(=O)(=O)[N-]CCCn2cc(Br)cn2)c1Cl ZINC000288608236 532298707 /nfs/dbraw/zinc/29/87/07/532298707.db2.gz KMSIMJFPFJRCKC-UHFFFAOYSA-N -1 1 382.671 1.401 20 0 GDADMM CC(C)(CS(C)(=O)=O)NC(=O)c1cc(I)ccc1[O-] ZINC000393655280 532300656 /nfs/dbraw/zinc/30/06/56/532300656.db2.gz KAVFGBYSFIBIPF-UHFFFAOYSA-N -1 1 397.234 1.550 20 0 GDADMM COCCN1CCC[C@@H]([N-]S(=O)(=O)c2sccc2Br)C1 ZINC000398872784 532303040 /nfs/dbraw/zinc/30/30/40/532303040.db2.gz AQMMACSPVLTXPK-SNVBAGLBSA-N -1 1 383.333 1.900 20 0 GDADMM CCc1nnc(C[N-]S(=O)(=O)c2cccc(S(=O)(=O)CC)c2)s1 ZINC000289495533 532326001 /nfs/dbraw/zinc/32/60/01/532326001.db2.gz KILRVKLRFVICAD-UHFFFAOYSA-N -1 1 375.497 1.373 20 0 GDADMM NC(=O)[C@H](c1cccc(Br)c1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000289505938 532326217 /nfs/dbraw/zinc/32/62/17/532326217.db2.gz UPGGSEHJDZPJDU-JQWIXIFHSA-N -1 1 380.246 1.267 20 0 GDADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1CCN(CCO)CC1 ZINC000289363821 532322271 /nfs/dbraw/zinc/32/22/71/532322271.db2.gz ACKYARXSCMRBAS-UHFFFAOYSA-N -1 1 380.242 1.453 20 0 GDADMM COc1ccc(NC(=O)NCCc2nnc(C)s2)cc1[N-]S(C)(=O)=O ZINC000290054784 532336014 /nfs/dbraw/zinc/33/60/14/532336014.db2.gz BHOUNNIHGABUQO-UHFFFAOYSA-N -1 1 385.471 1.591 20 0 GDADMM C[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2[O-])CC[C@@H]1N1CC[NH+](C)CC1 ZINC000632160881 450590386 /nfs/dbraw/zinc/59/03/86/450590386.db2.gz MOSCZTNCRYKAJW-HIFRSBDPSA-N -1 1 387.933 1.692 20 0 GDADMM C[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000632160881 450590405 /nfs/dbraw/zinc/59/04/05/450590405.db2.gz MOSCZTNCRYKAJW-HIFRSBDPSA-N -1 1 387.933 1.692 20 0 GDADMM CN1C[C@@H](C(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)CC1=O ZINC000736846405 598836404 /nfs/dbraw/zinc/83/64/04/598836404.db2.gz PUNJYQXQUIRRBG-ZDUSSCGKSA-N -1 1 382.449 1.690 20 0 GDADMM C[S@@](=O)CCNC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000737173770 598890988 /nfs/dbraw/zinc/89/09/88/598890988.db2.gz QAIXLVJOTNKHDG-AREMUKBSSA-N -1 1 390.494 1.773 20 0 GDADMM O=C(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)N[C@@H]1CCCNC1=O ZINC000738112774 598907233 /nfs/dbraw/zinc/90/72/33/598907233.db2.gz SBODWXINDIDMIQ-CYBMUJFWSA-N -1 1 397.464 1.673 20 0 GDADMM O=C1OCCN1c1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000738321754 598948322 /nfs/dbraw/zinc/94/83/22/598948322.db2.gz YRZFHLFXSGMIKD-UHFFFAOYSA-N -1 1 386.393 1.624 20 0 GDADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1cccc(Cn2cncn2)c1 ZINC000737301948 598953578 /nfs/dbraw/zinc/95/35/78/598953578.db2.gz YARKRLINVZWJNQ-UHFFFAOYSA-N -1 1 396.436 1.616 20 0 GDADMM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cccc(-c4nn[nH]n4)c3C)cc21 ZINC000819796652 607254821 /nfs/dbraw/zinc/25/48/21/607254821.db2.gz MTKQRBVUJNPJIK-UHFFFAOYSA-N -1 1 398.448 1.885 20 0 GDADMM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cccc1-c1nn[nH]n1 ZINC000822129598 607255445 /nfs/dbraw/zinc/25/54/45/607255445.db2.gz MNFIWTLWLYVUIC-UHFFFAOYSA-N -1 1 399.436 1.166 20 0 GDADMM Cc1cnn(C[C@@H]2CN(c3c4ccccc4nnc3-c3nnn[n-]3)CCO2)c1 ZINC000737445811 598967723 /nfs/dbraw/zinc/96/77/23/598967723.db2.gz VYMINQLYTMWYTK-ZDUSSCGKSA-N -1 1 377.412 1.220 20 0 GDADMM Cc1cnn(C[C@@H]2CN(c3c4ccccc4nnc3-c3nn[n-]n3)CCO2)c1 ZINC000737445811 598967725 /nfs/dbraw/zinc/96/77/25/598967725.db2.gz VYMINQLYTMWYTK-ZDUSSCGKSA-N -1 1 377.412 1.220 20 0 GDADMM O=C1CCCCN1[C@@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000738303514 598969962 /nfs/dbraw/zinc/96/99/62/598969962.db2.gz RDTGXVIFJRWHCX-CYBMUJFWSA-N -1 1 378.440 1.791 20 0 GDADMM O=C1CCCCN1[C@@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000738303514 598969964 /nfs/dbraw/zinc/96/99/64/598969964.db2.gz RDTGXVIFJRWHCX-CYBMUJFWSA-N -1 1 378.440 1.791 20 0 GDADMM COc1cc([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc(OC)c1OC ZINC000737044002 598992959 /nfs/dbraw/zinc/99/29/59/598992959.db2.gz YUAUHUNKVIDTFY-JTQLQIEISA-N -1 1 384.396 1.779 20 0 GDADMM COc1cc([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc(OC)c1OC ZINC000737044002 598992961 /nfs/dbraw/zinc/99/29/61/598992961.db2.gz YUAUHUNKVIDTFY-JTQLQIEISA-N -1 1 384.396 1.779 20 0 GDADMM Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737356405 599005290 /nfs/dbraw/zinc/00/52/90/599005290.db2.gz OYVLZNUQEKSJHV-OAHLLOKOSA-N -1 1 395.448 1.724 20 0 GDADMM Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737356405 599005291 /nfs/dbraw/zinc/00/52/91/599005291.db2.gz OYVLZNUQEKSJHV-OAHLLOKOSA-N -1 1 395.448 1.724 20 0 GDADMM CC(C)S(=O)(=O)Cc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000735913115 599005548 /nfs/dbraw/zinc/00/55/48/599005548.db2.gz GRPQJUDDRWHJLZ-UHFFFAOYSA-N -1 1 386.437 1.837 20 0 GDADMM CC(C)S(=O)(=O)Cc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000735913115 599005550 /nfs/dbraw/zinc/00/55/50/599005550.db2.gz GRPQJUDDRWHJLZ-UHFFFAOYSA-N -1 1 386.437 1.837 20 0 GDADMM COCCCN(CCc1ccc(OC)cc1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736982503 599015415 /nfs/dbraw/zinc/01/54/15/599015415.db2.gz XQAFQGONCRBDMJ-UHFFFAOYSA-N -1 1 396.451 1.992 20 0 GDADMM COCCCN(CCc1ccc(OC)cc1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736982503 599015416 /nfs/dbraw/zinc/01/54/16/599015416.db2.gz XQAFQGONCRBDMJ-UHFFFAOYSA-N -1 1 396.451 1.992 20 0 GDADMM O=C(NC1CCN(C(=O)c2ccccc2)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738022046 599020415 /nfs/dbraw/zinc/02/04/15/599020415.db2.gz CMHHCJQAPFXCMD-UHFFFAOYSA-N -1 1 377.408 1.296 20 0 GDADMM O=C(NC1CCN(C(=O)c2ccccc2)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738022046 599020416 /nfs/dbraw/zinc/02/04/16/599020416.db2.gz CMHHCJQAPFXCMD-UHFFFAOYSA-N -1 1 377.408 1.296 20 0 GDADMM CCCCCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736448415 599026244 /nfs/dbraw/zinc/02/62/44/599026244.db2.gz XSVVBZSDNOEVSV-HNNXBMFYSA-N -1 1 385.472 1.810 20 0 GDADMM CCCCCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736448415 599026246 /nfs/dbraw/zinc/02/62/46/599026246.db2.gz XSVVBZSDNOEVSV-HNNXBMFYSA-N -1 1 385.472 1.810 20 0 GDADMM O=C(N[C@@H]1CCCN(Cc2c(F)cccc2F)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738027327 599031411 /nfs/dbraw/zinc/03/14/11/599031411.db2.gz ZWZRAGJLYDOZFE-CYBMUJFWSA-N -1 1 399.405 1.934 20 0 GDADMM O=C(N[C@@H]1CCCN(Cc2c(F)cccc2F)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738027327 599031413 /nfs/dbraw/zinc/03/14/13/599031413.db2.gz ZWZRAGJLYDOZFE-CYBMUJFWSA-N -1 1 399.405 1.934 20 0 GDADMM CN(C(=O)c1ccc(-c2nnn[n-]2)nc1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000736749768 599033234 /nfs/dbraw/zinc/03/32/34/599033234.db2.gz RKCXNGWEBISZQQ-OAHLLOKOSA-N -1 1 381.371 1.278 20 0 GDADMM CN(C(=O)c1ccc(-c2nn[n-]n2)nc1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000736749768 599033237 /nfs/dbraw/zinc/03/32/37/599033237.db2.gz RKCXNGWEBISZQQ-OAHLLOKOSA-N -1 1 381.371 1.278 20 0 GDADMM CCO[C@H]1C[C@H](O)C12CCN(c1c3ccccc3nnc1-c1nnn[n-]1)CC2 ZINC000736611062 599046520 /nfs/dbraw/zinc/04/65/20/599046520.db2.gz IKNGYAHRHGDDKP-GJZGRUSLSA-N -1 1 381.440 1.566 20 0 GDADMM CCO[C@H]1C[C@H](O)C12CCN(c1c3ccccc3nnc1-c1nn[n-]n1)CC2 ZINC000736611062 599046522 /nfs/dbraw/zinc/04/65/22/599046522.db2.gz IKNGYAHRHGDDKP-GJZGRUSLSA-N -1 1 381.440 1.566 20 0 GDADMM O=C(Nc1ccccc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC000738191729 599086055 /nfs/dbraw/zinc/08/60/55/599086055.db2.gz VKUARZUPTBWGLA-UHFFFAOYSA-N -1 1 386.393 1.378 20 0 GDADMM O=C(Nc1ccccc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC000738191729 599086058 /nfs/dbraw/zinc/08/60/58/599086058.db2.gz VKUARZUPTBWGLA-UHFFFAOYSA-N -1 1 386.393 1.378 20 0 GDADMM Cc1nsc(N2CCCN(c3c4ccccc4nnc3-c3nnn[n-]3)CC2)n1 ZINC000822530604 599088190 /nfs/dbraw/zinc/08/81/90/599088190.db2.gz JFVLMGIWLKIJFD-UHFFFAOYSA-N -1 1 394.468 1.687 20 0 GDADMM Cc1nsc(N2CCCN(c3c4ccccc4nnc3-c3nn[n-]n3)CC2)n1 ZINC000822530604 599088192 /nfs/dbraw/zinc/08/81/92/599088192.db2.gz JFVLMGIWLKIJFD-UHFFFAOYSA-N -1 1 394.468 1.687 20 0 GDADMM CCCN1C(=O)C2(CCCCC2)N[C@H]1c1cnc2c(-c3nnn[n-]3)cnn2c1 ZINC000821109531 599115170 /nfs/dbraw/zinc/11/51/70/599115170.db2.gz LOYOCYSEAREFIJ-OAHLLOKOSA-N -1 1 381.444 1.453 20 0 GDADMM CCCN1C(=O)C2(CCCCC2)N[C@H]1c1cnc2c(-c3nn[n-]n3)cnn2c1 ZINC000821109531 599115171 /nfs/dbraw/zinc/11/51/71/599115171.db2.gz LOYOCYSEAREFIJ-OAHLLOKOSA-N -1 1 381.444 1.453 20 0 GDADMM COc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)c(OC)c1 ZINC000737100943 599132132 /nfs/dbraw/zinc/13/21/32/599132132.db2.gz AOZNBOYNTJHLRS-SNVBAGLBSA-N -1 1 398.379 1.463 20 0 GDADMM COc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)c(OC)c1 ZINC000737100943 599132134 /nfs/dbraw/zinc/13/21/34/599132134.db2.gz AOZNBOYNTJHLRS-SNVBAGLBSA-N -1 1 398.379 1.463 20 0 GDADMM Cc1cccc(C)c1-n1nnnc1COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737389906 599133314 /nfs/dbraw/zinc/13/33/14/599133314.db2.gz QOIGANLVFLVPLO-UHFFFAOYSA-N -1 1 377.368 1.211 20 0 GDADMM Cc1cccc(C)c1-n1nnnc1COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737389906 599133316 /nfs/dbraw/zinc/13/33/16/599133316.db2.gz QOIGANLVFLVPLO-UHFFFAOYSA-N -1 1 377.368 1.211 20 0 GDADMM CCCC[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)Nc1cc(C)on1 ZINC000736436655 599135055 /nfs/dbraw/zinc/13/50/55/599135055.db2.gz FHBVTGZWKHTLDM-ZDUSSCGKSA-N -1 1 385.384 1.912 20 0 GDADMM CCCC[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)Nc1cc(C)on1 ZINC000736436655 599135056 /nfs/dbraw/zinc/13/50/56/599135056.db2.gz FHBVTGZWKHTLDM-ZDUSSCGKSA-N -1 1 385.384 1.912 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H](C(F)(F)F)C1 ZINC000738220206 599137881 /nfs/dbraw/zinc/13/78/81/599137881.db2.gz QCUHTUBCUZFWAB-JTQLQIEISA-N -1 1 384.318 1.219 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H](C(F)(F)F)C1 ZINC000738220206 599137884 /nfs/dbraw/zinc/13/78/84/599137884.db2.gz QCUHTUBCUZFWAB-JTQLQIEISA-N -1 1 384.318 1.219 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)N[C@H](c1ccccc1)C1CC1 ZINC000737908215 599141371 /nfs/dbraw/zinc/14/13/71/599141371.db2.gz JMUGOVKKQBRFMX-QGZVFWFLSA-N -1 1 378.392 1.686 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)N[C@H](c1ccccc1)C1CC1 ZINC000737908215 599141374 /nfs/dbraw/zinc/14/13/74/599141374.db2.gz JMUGOVKKQBRFMX-QGZVFWFLSA-N -1 1 378.392 1.686 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(N2CCCC2=O)cc1 ZINC000737909700 599141545 /nfs/dbraw/zinc/14/15/45/599141545.db2.gz XOVAZJGJULUYLW-UHFFFAOYSA-N -1 1 392.375 1.428 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(N2CCCC2=O)cc1 ZINC000737909700 599141549 /nfs/dbraw/zinc/14/15/49/599141549.db2.gz XOVAZJGJULUYLW-UHFFFAOYSA-N -1 1 392.375 1.428 20 0 GDADMM O=C(OCCCc1nc(-c2ccncc2)no1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738223188 599142513 /nfs/dbraw/zinc/14/25/13/599142513.db2.gz SZYFYQJAHMTHPG-UHFFFAOYSA-N -1 1 378.352 1.496 20 0 GDADMM O=C(OCCCc1nc(-c2ccncc2)no1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738223188 599142516 /nfs/dbraw/zinc/14/25/16/599142516.db2.gz SZYFYQJAHMTHPG-UHFFFAOYSA-N -1 1 378.352 1.496 20 0 GDADMM O=C(NCCOC(=O)c1ccc(-c2nnn[n-]2)nc1)c1cc2c(s1)CCCC2 ZINC000738222160 599153362 /nfs/dbraw/zinc/15/33/62/599153362.db2.gz BJYRTCJOSNJJSX-UHFFFAOYSA-N -1 1 398.448 1.789 20 0 GDADMM O=C(NCCOC(=O)c1ccc(-c2nn[n-]n2)nc1)c1cc2c(s1)CCCC2 ZINC000738222160 599153366 /nfs/dbraw/zinc/15/33/66/599153366.db2.gz BJYRTCJOSNJJSX-UHFFFAOYSA-N -1 1 398.448 1.789 20 0 GDADMM CS(=O)(=O)c1c(Cl)cccc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737174108 599211008 /nfs/dbraw/zinc/21/10/08/599211008.db2.gz RHJYYIDVXLULHJ-UHFFFAOYSA-N -1 1 378.801 1.571 20 0 GDADMM CS(=O)(=O)c1c(Cl)cccc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737174108 599211010 /nfs/dbraw/zinc/21/10/10/599211010.db2.gz RHJYYIDVXLULHJ-UHFFFAOYSA-N -1 1 378.801 1.571 20 0 GDADMM Cc1ccc([C@@H]2COCCN2S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)o1 ZINC000737329835 599211286 /nfs/dbraw/zinc/21/12/86/599211286.db2.gz HRUPRJIHMWYKFH-AWEZNQCLSA-N -1 1 393.400 1.669 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000737487337 599223582 /nfs/dbraw/zinc/22/35/82/599223582.db2.gz HUJSWVDPEPRFGI-GASCZTMLSA-N -1 1 380.456 1.573 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000737487337 599223585 /nfs/dbraw/zinc/22/35/85/599223585.db2.gz HUJSWVDPEPRFGI-GASCZTMLSA-N -1 1 380.456 1.573 20 0 GDADMM NS(=O)(=O)c1ccc(CCNc2cc(-c3nnn[n-]3)nc3ccccc32)cc1 ZINC000737764464 599253336 /nfs/dbraw/zinc/25/33/36/599253336.db2.gz HJSZSXBTRBMLPW-UHFFFAOYSA-N -1 1 395.448 1.717 20 0 GDADMM NS(=O)(=O)c1ccc(CCNc2cc(-c3nn[n-]n3)nc3ccccc32)cc1 ZINC000737764464 599253337 /nfs/dbraw/zinc/25/33/37/599253337.db2.gz HJSZSXBTRBMLPW-UHFFFAOYSA-N -1 1 395.448 1.717 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000822004272 607297118 /nfs/dbraw/zinc/29/71/18/607297118.db2.gz DTYPRASANPCKFD-QAPCUYQASA-N -1 1 394.435 1.291 20 0 GDADMM NC(=O)c1n[nH]c2ccc(NC(=O)C3=NN(c4ccccc4)[C@H](C(=O)[O-])C3)cc21 ZINC000821357038 597461541 /nfs/dbraw/zinc/46/15/41/597461541.db2.gz CLNWFCOQNLVONR-HNNXBMFYSA-N -1 1 392.375 1.320 20 0 GDADMM C[C@@H]1CN(Cc2ccc(CNC(=O)N3CC[C@@H](C(=O)[O-])C3)cc2)C[C@H](C)O1 ZINC000818112714 597507055 /nfs/dbraw/zinc/50/70/55/597507055.db2.gz HTFZPKVFRRNLPT-RVKKMQEKSA-N -1 1 375.469 1.912 20 0 GDADMM CCn1c(=O)c2ccc(C(=O)OC[C@@H]3CCC[N@H+]3CC(=O)[O-])cc2[n-]c1=S ZINC000820507065 598065122 /nfs/dbraw/zinc/06/51/22/598065122.db2.gz RULOFDAZPLJLTH-LBPRGKRZSA-N -1 1 391.449 1.411 20 0 GDADMM O=S(=O)([N-]c1ncccc1Br)c1cccc(-c2nn[nH]n2)c1 ZINC000823588877 607326068 /nfs/dbraw/zinc/32/60/68/607326068.db2.gz DIMXMHKMZCSLSB-UHFFFAOYSA-N -1 1 381.215 1.825 20 0 GDADMM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(-c2nn[nH]n2)cc1F ZINC000821669218 607327939 /nfs/dbraw/zinc/32/79/39/607327939.db2.gz ANJQKRWHWZCRGM-UHFFFAOYSA-N -1 1 395.347 1.732 20 0 GDADMM O=C([O-])c1cccc(CNC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000821442338 598191583 /nfs/dbraw/zinc/19/15/83/598191583.db2.gz SFKHUCWYXYGYPX-LJQANCHMSA-N -1 1 383.448 1.603 20 0 GDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000737489609 598257719 /nfs/dbraw/zinc/25/77/19/598257719.db2.gz ZRTVWTQGNJYVPR-JTQLQIEISA-N -1 1 392.423 1.652 20 0 GDADMM C[C@@H](OCCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000736165043 598262037 /nfs/dbraw/zinc/26/20/37/598262037.db2.gz RGNOQUXBQWMNRI-CYBMUJFWSA-N -1 1 388.453 1.708 20 0 GDADMM C[C@@H](OCCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000736165043 598262039 /nfs/dbraw/zinc/26/20/39/598262039.db2.gz RGNOQUXBQWMNRI-CYBMUJFWSA-N -1 1 388.453 1.708 20 0 GDADMM Cc1ccccc1OCCCN(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737432441 598267540 /nfs/dbraw/zinc/26/75/40/598267540.db2.gz YOUSIYOSSYPILZ-UHFFFAOYSA-N -1 1 388.453 1.660 20 0 GDADMM Cc1ccccc1OCCCN(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737432441 598267541 /nfs/dbraw/zinc/26/75/41/598267541.db2.gz YOUSIYOSSYPILZ-UHFFFAOYSA-N -1 1 388.453 1.660 20 0 GDADMM Cn1c(Sc2nccnc2-c2nn[n-]n2)nnc1[C@H]1COc2ccccc2O1 ZINC000737592136 598339405 /nfs/dbraw/zinc/33/94/05/598339405.db2.gz KFSILQOWBIBFDD-LLVKDONJSA-N -1 1 395.408 1.449 20 0 GDADMM C[C@@H](C(=O)Nc1ccc(Nc2nccnc2-c2nnn[n-]2)cc1)n1cncn1 ZINC000735559290 598343521 /nfs/dbraw/zinc/34/35/21/598343521.db2.gz LAYHCGXJUGRLHM-JTQLQIEISA-N -1 1 377.372 1.192 20 0 GDADMM C[C@@H](C(=O)Nc1ccc(Nc2nccnc2-c2nn[n-]n2)cc1)n1cncn1 ZINC000735559290 598343523 /nfs/dbraw/zinc/34/35/23/598343523.db2.gz LAYHCGXJUGRLHM-JTQLQIEISA-N -1 1 377.372 1.192 20 0 GDADMM O=C(CCCc1ccccc1)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000737834958 598349544 /nfs/dbraw/zinc/34/95/44/598349544.db2.gz AITSJDQZOBGQTI-UHFFFAOYSA-N -1 1 378.440 1.328 20 0 GDADMM O=C(CCCc1ccccc1)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000737834958 598349546 /nfs/dbraw/zinc/34/95/46/598349546.db2.gz AITSJDQZOBGQTI-UHFFFAOYSA-N -1 1 378.440 1.328 20 0 GDADMM COC(=O)c1ccc(N2CCN(c3nccnc3-c3nnn[n-]3)[C@H](C)C2)cc1 ZINC000736947025 598351384 /nfs/dbraw/zinc/35/13/84/598351384.db2.gz AREUHBFOOJXQTI-GFCCVEGCSA-N -1 1 380.412 1.158 20 0 GDADMM COC(=O)c1ccc(N2CCN(c3nccnc3-c3nn[n-]n3)[C@H](C)C2)cc1 ZINC000736947025 598351385 /nfs/dbraw/zinc/35/13/85/598351385.db2.gz AREUHBFOOJXQTI-GFCCVEGCSA-N -1 1 380.412 1.158 20 0 GDADMM CCOc1ccc(C[C@H](CNc2nccnc2-c2nnn[n-]2)C(=O)OC)cc1 ZINC000736644317 598351451 /nfs/dbraw/zinc/35/14/51/598351451.db2.gz YDCWWDPHWBFUEB-CYBMUJFWSA-N -1 1 383.412 1.499 20 0 GDADMM CCOc1ccc(C[C@H](CNc2nccnc2-c2nn[n-]n2)C(=O)OC)cc1 ZINC000736644317 598351453 /nfs/dbraw/zinc/35/14/53/598351453.db2.gz YDCWWDPHWBFUEB-CYBMUJFWSA-N -1 1 383.412 1.499 20 0 GDADMM CCCN(C[C@@H]1CCCCO1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736470499 598406631 /nfs/dbraw/zinc/40/66/31/598406631.db2.gz IWTRSRGVEDHLQW-LBPRGKRZSA-N -1 1 383.449 1.976 20 0 GDADMM COC[C@H](NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)c1ccccc1 ZINC000736976985 598424987 /nfs/dbraw/zinc/42/49/87/598424987.db2.gz IMBPVXBWAWUXSS-ZDUSSCGKSA-N -1 1 386.437 1.807 20 0 GDADMM O=C(c1nc2ccccc2c(=O)[n-]1)N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000738291110 598468694 /nfs/dbraw/zinc/46/86/94/598468694.db2.gz CVDJLICPMKRMLD-UHFFFAOYSA-N -1 1 387.403 1.908 20 0 GDADMM Cc1nc(C)c(-c2nn[n-]n2)c(SCC(=O)NCC(=O)c2ccccc2)n1 ZINC000737471066 598538104 /nfs/dbraw/zinc/53/81/04/598538104.db2.gz MVGRLCIYQGHHEP-UHFFFAOYSA-N -1 1 383.437 1.365 20 0 GDADMM CCn1ccnc1CN1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000736722659 598552702 /nfs/dbraw/zinc/55/27/02/598552702.db2.gz QGWNBPUJHXOHKD-UHFFFAOYSA-N -1 1 395.427 1.653 20 0 GDADMM COc1ccc(C2(NS(=O)(=O)c3ccc(F)c(-c4nn[n-]n4)c3)CC2)cc1 ZINC000737078032 598596799 /nfs/dbraw/zinc/59/67/99/598596799.db2.gz XYLQOOYNEWTQPS-UHFFFAOYSA-N -1 1 389.412 1.982 20 0 GDADMM CCc1nn(CC(=O)N(C)Cc2ccccc2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705986 598640128 /nfs/dbraw/zinc/64/01/28/598640128.db2.gz RLHCFGUBWVXRDN-UHFFFAOYSA-N -1 1 395.467 1.515 20 0 GDADMM CCc1nn(CC(=O)Nc2ccc(C(C)=O)cc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706176 598640513 /nfs/dbraw/zinc/64/05/13/598640513.db2.gz VCTNPRAVTBARPM-UHFFFAOYSA-N -1 1 395.423 1.390 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCC[C@H]1C1CC1 ZINC000737488883 598669022 /nfs/dbraw/zinc/66/90/22/598669022.db2.gz ZLTSMZQDPTZGBX-INIZCTEOSA-N -1 1 380.456 1.860 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCC[C@H]1C1CC1 ZINC000737488883 598669023 /nfs/dbraw/zinc/66/90/23/598669023.db2.gz ZLTSMZQDPTZGBX-INIZCTEOSA-N -1 1 380.456 1.860 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCC[C@@H]1C1CC1 ZINC000737488884 598669087 /nfs/dbraw/zinc/66/90/87/598669087.db2.gz ZLTSMZQDPTZGBX-MRXNPFEDSA-N -1 1 380.456 1.860 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCC[C@@H]1C1CC1 ZINC000737488884 598669088 /nfs/dbraw/zinc/66/90/88/598669088.db2.gz ZLTSMZQDPTZGBX-MRXNPFEDSA-N -1 1 380.456 1.860 20 0 GDADMM Cc1cc([C@H]2CCCN2S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)no1 ZINC000737266319 598688463 /nfs/dbraw/zinc/68/84/63/598688463.db2.gz YKXCRWBAMLZYOO-CQSZACIVSA-N -1 1 378.389 1.828 20 0 GDADMM CN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736821495 598688590 /nfs/dbraw/zinc/68/85/90/598688590.db2.gz XFLNCQPHSWAAKX-UHFFFAOYSA-N -1 1 391.384 1.555 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)NCc2nncn2C2CC2)c1-c1nn[n-]n1 ZINC000737189475 598689259 /nfs/dbraw/zinc/68/92/59/598689259.db2.gz MZWKNPBNEHDFOL-UHFFFAOYSA-N -1 1 397.468 1.717 20 0 GDADMM O=S(=O)(N[C@H](c1ccccc1)c1ccncc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738331890 598710285 /nfs/dbraw/zinc/71/02/85/598710285.db2.gz XUKFWRCEQCLQHH-QGZVFWFLSA-N -1 1 393.432 1.725 20 0 GDADMM O=S(=O)(N[C@H](c1ccccc1)c1ccncc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738331890 598710287 /nfs/dbraw/zinc/71/02/87/598710287.db2.gz XUKFWRCEQCLQHH-QGZVFWFLSA-N -1 1 393.432 1.725 20 0 GDADMM O=C1NCCCN1c1cccc([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000823547585 599306799 /nfs/dbraw/zinc/30/67/99/599306799.db2.gz KUMZUOZKDPVTBE-UHFFFAOYSA-N -1 1 399.436 1.587 20 0 GDADMM CCc1nc(CN(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cs1 ZINC000821509524 599340731 /nfs/dbraw/zinc/34/07/31/599340731.db2.gz JDFKDQHCUCVHKZ-UHFFFAOYSA-N -1 1 382.446 1.845 20 0 GDADMM CCc1nc(CN(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cs1 ZINC000821509524 599340734 /nfs/dbraw/zinc/34/07/34/599340734.db2.gz JDFKDQHCUCVHKZ-UHFFFAOYSA-N -1 1 382.446 1.845 20 0 GDADMM CSCCCC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000737184502 599385223 /nfs/dbraw/zinc/38/52/23/599385223.db2.gz YBFMIFHYFMVFBG-UHFFFAOYSA-N -1 1 377.474 1.524 20 0 GDADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1cccc([C@H]2CNC(=O)C2)c1 ZINC000822151676 607378255 /nfs/dbraw/zinc/37/82/55/607378255.db2.gz DVPSPBJFNKTAPU-CQSZACIVSA-N -1 1 398.448 1.579 20 0 GDADMM O=S(=O)(N1CCC(CNc2cccc(-c3nnn[n-]3)n2)CC1)C(F)(F)F ZINC000738327980 599437364 /nfs/dbraw/zinc/43/73/64/599437364.db2.gz AALFCXCUJKBYHR-UHFFFAOYSA-N -1 1 391.379 1.235 20 0 GDADMM O=S(=O)(N1CCC(CNc2cccc(-c3nn[n-]n3)n2)CC1)C(F)(F)F ZINC000738327980 599437367 /nfs/dbraw/zinc/43/73/67/599437367.db2.gz AALFCXCUJKBYHR-UHFFFAOYSA-N -1 1 391.379 1.235 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)Nc2ccc3c(c2)NC(=O)CC3)cc1-c1nn[n-]n1 ZINC000821976810 599446298 /nfs/dbraw/zinc/44/62/98/599446298.db2.gz DHYWVEOYXQJAIM-UHFFFAOYSA-N -1 1 397.420 1.826 20 0 GDADMM CCc1cnc(CNC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)s1 ZINC000821499530 599492925 /nfs/dbraw/zinc/49/29/25/599492925.db2.gz MDUBPGTZRMWQQS-UHFFFAOYSA-N -1 1 377.455 1.638 20 0 GDADMM CN(CCNc1ccc(Cl)c(-c2nnn[n-]2)n1)S(=O)(=O)c1cccs1 ZINC000821602648 607382968 /nfs/dbraw/zinc/38/29/68/607382968.db2.gz MNQFDAGDTREVRI-UHFFFAOYSA-N -1 1 399.889 1.709 20 0 GDADMM CN(CCNc1ccc(Cl)c(-c2nn[n-]n2)n1)S(=O)(=O)c1cccs1 ZINC000821602648 607382970 /nfs/dbraw/zinc/38/29/70/607382970.db2.gz MNQFDAGDTREVRI-UHFFFAOYSA-N -1 1 399.889 1.709 20 0 GDADMM CCn1nnnc1-c1cccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736731955 599559515 /nfs/dbraw/zinc/55/95/15/599559515.db2.gz UJSSTTGYPASLFF-UHFFFAOYSA-N -1 1 397.424 1.341 20 0 GDADMM CCOCCCCOC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000821378185 599625486 /nfs/dbraw/zinc/62/54/86/599625486.db2.gz KUNDFPXCQRTFHQ-UHFFFAOYSA-N -1 1 387.444 1.819 20 0 GDADMM CCOCCCCOC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000821378185 599625487 /nfs/dbraw/zinc/62/54/87/599625487.db2.gz KUNDFPXCQRTFHQ-UHFFFAOYSA-N -1 1 387.444 1.819 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCc1nnnn1C(C)C ZINC000822542034 599651408 /nfs/dbraw/zinc/65/14/08/599651408.db2.gz SSMYMNKNQKABAA-UHFFFAOYSA-N -1 1 383.372 1.483 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCc1nnnn1C(C)C ZINC000822542034 599651409 /nfs/dbraw/zinc/65/14/09/599651409.db2.gz SSMYMNKNQKABAA-UHFFFAOYSA-N -1 1 383.372 1.483 20 0 GDADMM C[C@@H](C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1)c1cccnc1 ZINC000819857681 599696399 /nfs/dbraw/zinc/69/63/99/599696399.db2.gz UFDQFGVNMZCTTR-GFCCVEGCSA-N -1 1 394.439 1.579 20 0 GDADMM O=C([O-])c1ccc(C(=O)Nc2ccc3nc(CCN4CCOCC4)[nH]c3c2)nc1 ZINC000649453620 599702512 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AGFXDPIIIRCJOJ-UHFFFAOYSA-N -1 1 379.424 1.228 20 0 GDADMM COc1ccc(C(=O)N2CCN(Cc3ccnc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826187106 607476961 /nfs/dbraw/zinc/47/69/61/607476961.db2.gz AGFXDPIIIRCJOJ-UHFFFAOYSA-N -1 1 379.424 1.228 20 0 GDADMM COc1ccc([C@@H](NC(=O)c2cccc(CN3CCN(C)CC3)c2)C(=O)[O-])cc1 ZINC000832245099 600933311 /nfs/dbraw/zinc/93/33/11/600933311.db2.gz JCOSBZWFRMFTOA-HXUWFJFHSA-N -1 1 397.475 1.998 20 0 GDADMM CCN1CCC[C@H]1CNS(=O)(=O)c1cc(/C=C\C(=O)[O-])cc(OC)c1OC ZINC000737113526 600944070 /nfs/dbraw/zinc/94/40/70/600944070.db2.gz CMXZEBHUPXTDSD-DANTVBBOSA-N -1 1 398.481 1.564 20 0 GDADMM C[C@@H]1CN(c2ccc(NS(=O)(=O)c3c[nH]c(C(=O)[O-])c3)cn2)C[C@@H](C)O1 ZINC000828500363 600979051 /nfs/dbraw/zinc/97/90/51/600979051.db2.gz QTVAIZMJXSIERO-GHMZBOCLSA-N -1 1 380.426 1.522 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)c[nH]1 ZINC000831348417 600981406 /nfs/dbraw/zinc/98/14/06/600981406.db2.gz KSTMBTQEYLTJMN-UHFFFAOYSA-N -1 1 393.421 1.901 20 0 GDADMM O=C([O-])Nc1ccc(CNC(=O)CN2CCC[C@@H]2CN2CCOCC2)cc1 ZINC000833286736 601025058 /nfs/dbraw/zinc/02/50/58/601025058.db2.gz VJXVBUCIOLNCTJ-QGZVFWFLSA-N -1 1 376.457 1.189 20 0 GDADMM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCO[C@@H](c2n[nH]c(C(C)(C)C)n2)C1 ZINC000825977920 601030065 /nfs/dbraw/zinc/03/00/65/601030065.db2.gz RZUMGIUZGWGJFZ-GXTWGEPZSA-N -1 1 393.488 1.187 20 0 GDADMM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCO[C@@H](c2nnc(C(C)(C)C)[nH]2)C1 ZINC000825977920 601030069 /nfs/dbraw/zinc/03/00/69/601030069.db2.gz RZUMGIUZGWGJFZ-GXTWGEPZSA-N -1 1 393.488 1.187 20 0 GDADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N1CCSC[C@H]1CC(=O)[O-] ZINC000827686883 601083382 /nfs/dbraw/zinc/08/33/82/601083382.db2.gz HJCICTHHRSLHQE-WDEREUQCSA-N -1 1 376.438 1.100 20 0 GDADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@H](C)NC(=O)c2ccc(Cl)cc2)CC1 ZINC000827694065 601087435 /nfs/dbraw/zinc/08/74/35/601087435.db2.gz ANKJUIFVYVKUNZ-OLZOCXBDSA-N -1 1 381.860 1.466 20 0 GDADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@H]2CCCC[C@H]2C(=O)N2CCCC2)CC1 ZINC000630224559 601087748 /nfs/dbraw/zinc/08/77/48/601087748.db2.gz QHAHAYHHVCECGB-ZACQAIPSSA-N -1 1 379.501 1.423 20 0 GDADMM CCS(=O)(=O)c1ccc(CC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1 ZINC000830140019 601092055 /nfs/dbraw/zinc/09/20/55/601092055.db2.gz AMWHIWYWBLBPGN-AWEZNQCLSA-N -1 1 382.482 1.030 20 0 GDADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)/C=C/c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000827354710 601100440 /nfs/dbraw/zinc/10/04/40/601100440.db2.gz GPHIJRVNHJAHKG-LHRNQBEKSA-N -1 1 395.481 1.079 20 0 GDADMM COc1cc(CC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc(OC)c1OC ZINC000831983413 601105366 /nfs/dbraw/zinc/10/53/66/601105366.db2.gz QPWLUYNNKCLLQT-ZDUSSCGKSA-N -1 1 380.441 1.262 20 0 GDADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000630225991 601107484 /nfs/dbraw/zinc/10/74/84/601107484.db2.gz WOYDTIHMAWEBKZ-LBPRGKRZSA-N -1 1 382.844 1.661 20 0 GDADMM O=C([O-])c1ccsc1N1CC[C@H](NC(=O)c2nnc3ccccc3c2O)C1=O ZINC000833341595 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CCN([C@@H]1CCN([C@H](C)c2ccccc2)C1)S(=O)(=O)N(C)CCC(=O)[O-] ZINC000829618988 601256515 /nfs/dbraw/zinc/25/65/15/601256515.db2.gz ORVGZFYYQRHQMI-NVXWUHKLSA-N -1 1 383.514 1.795 20 0 GDADMM Cc1nc(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000532001890 601281536 /nfs/dbraw/zinc/28/15/36/601281536.db2.gz JLZYTLKLWRMQDU-UHFFFAOYSA-N -1 1 395.301 1.972 20 0 GDADMM O=C([O-])c1cn(CC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)nn1 ZINC000833121152 601284031 /nfs/dbraw/zinc/28/40/31/601284031.db2.gz XKWWKLRUZOVBSA-UHFFFAOYSA-N -1 1 391.859 1.658 20 0 GDADMM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCC(c2nc[nH]n2)CC1 ZINC000833105425 601329924 /nfs/dbraw/zinc/32/99/24/601329924.db2.gz KDEZTVLFPLFGPX-KRWDZBQOSA-N -1 1 396.451 1.278 20 0 GDADMM CC[C@H]1CN2CCCC[C@@H]2CN1C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000829162704 601333439 /nfs/dbraw/zinc/33/34/39/601333439.db2.gz SZDXPERDGBGUMS-DLBZAZTESA-N -1 1 388.468 1.982 20 0 GDADMM CC(C)CN1CCO[C@@H](CNC(=O)COc2ccc(Cl)cc2C(=O)[O-])C1 ZINC000826885558 601373213 /nfs/dbraw/zinc/37/32/13/601373213.db2.gz BRHJAQFQUDHLJA-AWEZNQCLSA-N -1 1 384.860 1.890 20 0 GDADMM CCOC[C@H]1CCN([C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C(=O)OC)C1 ZINC000829989624 601378303 /nfs/dbraw/zinc/37/83/03/601378303.db2.gz IFCSMRIXCXPGDU-OLZOCXBDSA-N -1 1 378.425 1.857 20 0 GDADMM O=C([O-])[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)CCc2nc[nH]n2)CC1 ZINC000833170870 601409580 /nfs/dbraw/zinc/40/95/80/601409580.db2.gz KHOCAGOSQQUFOM-MRXNPFEDSA-N -1 1 377.832 1.361 20 0 GDADMM COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2scc(C3CC3)c2C(=O)[O-])C1 ZINC000831740629 601493559 /nfs/dbraw/zinc/49/35/59/601493559.db2.gz ISFOTBFXHGBKOA-NSHDSACASA-N -1 1 381.454 1.099 20 0 GDADMM COCCN1CC[C@H](NC(=O)C(=O)Nc2scc(C3CC3)c2C(=O)[O-])C1 ZINC000831740629 601493562 /nfs/dbraw/zinc/49/35/62/601493562.db2.gz ISFOTBFXHGBKOA-NSHDSACASA-N -1 1 381.454 1.099 20 0 GDADMM Cc1sc(C(=O)[O-])cc1CN1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000833032394 601619310 /nfs/dbraw/zinc/61/93/10/601619310.db2.gz YMFKXXIRYLWNLO-UHFFFAOYSA-N -1 1 395.506 1.724 20 0 GDADMM O=C([O-])[C@H](NC(=O)CCN1CCN(c2ccccn2)CC1)c1ccccc1F ZINC000833100426 601745145 /nfs/dbraw/zinc/74/51/45/601745145.db2.gz WJTHWGAKUFYFMK-LJQANCHMSA-N -1 1 386.427 1.675 20 0 GDADMM CC1(C)CN(C2(CNC(=O)N3CCO[C@H](CC(=O)[O-])C3)CCCCC2)CCO1 ZINC000828074792 601774380 /nfs/dbraw/zinc/77/43/80/601774380.db2.gz RAOFUVUAMGNTKC-MRXNPFEDSA-N -1 1 397.516 1.685 20 0 GDADMM COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)Nc2cc(C(=O)[O-])n(C)c2)c1 ZINC000831242754 601784275 /nfs/dbraw/zinc/78/42/75/601784275.db2.gz QXGKSGCEFSCJTN-UHFFFAOYSA-N -1 1 396.377 1.097 20 0 GDADMM O=C([O-])NC[C@@H]1CCN(CC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)C1 ZINC000740642184 601936659 /nfs/dbraw/zinc/93/66/59/601936659.db2.gz LXJCBGIVHPEQHK-INIZCTEOSA-N -1 1 394.903 1.574 20 0 GDADMM C[C@H](NC(=O)[C@H]1CSCN1C(=O)[O-])c1cc(F)ccc1N1CCN(C)CC1 ZINC000739021658 601949908 /nfs/dbraw/zinc/94/99/08/601949908.db2.gz RZWAPMGPEMVAEZ-BLLLJJGKSA-N -1 1 396.488 1.808 20 0 GDADMM Cc1cccc(-c2noc(CS(=O)(=O)Cc3ccnc(-c4nnn[n-]4)c3)n2)c1 ZINC000826295586 607536547 /nfs/dbraw/zinc/53/65/47/607536547.db2.gz ODMPXFXLDWDZQE-UHFFFAOYSA-N -1 1 397.420 1.735 20 0 GDADMM Cc1cccc(-c2noc(CS(=O)(=O)Cc3ccnc(-c4nn[n-]n4)c3)n2)c1 ZINC000826295586 607536549 /nfs/dbraw/zinc/53/65/49/607536549.db2.gz ODMPXFXLDWDZQE-UHFFFAOYSA-N -1 1 397.420 1.735 20 0 GDADMM c1cc(CSc2nnc(NC[C@@H]3CCCO3)s2)cc(-c2nnn[n-]2)n1 ZINC000826516339 607537975 /nfs/dbraw/zinc/53/79/75/607537975.db2.gz HOLVRWOQGYJCHT-JTQLQIEISA-N -1 1 376.471 1.996 20 0 GDADMM c1cc(CSc2nnc(NC[C@@H]3CCCO3)s2)cc(-c2nn[n-]n2)n1 ZINC000826516339 607537976 /nfs/dbraw/zinc/53/79/76/607537976.db2.gz HOLVRWOQGYJCHT-JTQLQIEISA-N -1 1 376.471 1.996 20 0 GDADMM Brc1ccc(-c2nccc(Cn3cnc(-c4nn[n-]n4)n3)n2)cc1 ZINC000823826050 607538691 /nfs/dbraw/zinc/53/86/91/607538691.db2.gz BBAQMKWKABHQFC-UHFFFAOYSA-N -1 1 384.201 1.726 20 0 GDADMM CC(C)[C@H](CNC(=O)N[C@H](C)[C@H]1CCCN(C(=O)[O-])C1)N1CCN(C)CC1 ZINC000738785086 602077471 /nfs/dbraw/zinc/07/74/71/602077471.db2.gz IEQOCXBYHBCPOI-IKGGRYGDSA-N -1 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COc1cc(OC)cc([C@H](NCCNS(=O)(=O)c2ccccc2)C(=O)[O-])c1 ZINC000832058111 602166079 /nfs/dbraw/zinc/16/60/79/602166079.db2.gz WHJBQFWKWKEGOG-KRWDZBQOSA-N -1 1 394.449 1.398 20 0 GDADMM CN1CCN(C[C@@H](NC(=O)NC2CCN(C(=O)[O-])CC2)c2ccccc2)CC1 ZINC000737525649 602185415 /nfs/dbraw/zinc/18/54/15/602185415.db2.gz DSTCRFYIGJPNRQ-GOSISDBHSA-N -1 1 389.500 1.417 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000826495728 607552319 /nfs/dbraw/zinc/55/23/19/607552319.db2.gz ZCIDIQPLXARZSC-MNOVXSKESA-N -1 1 383.861 1.567 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000826495728 607552320 /nfs/dbraw/zinc/55/23/20/607552320.db2.gz ZCIDIQPLXARZSC-MNOVXSKESA-N -1 1 383.861 1.567 20 0 GDADMM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(CC(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000827688499 602245071 /nfs/dbraw/zinc/24/50/71/602245071.db2.gz WXSRGKIMZIHBDO-GDBMZVCRSA-N -1 1 397.516 1.935 20 0 GDADMM Cc1oc(NC(=O)COC(=O)c2ccc(F)cc2O)c(-c2nn[n-]n2)c1C ZINC000826342574 607555522 /nfs/dbraw/zinc/55/55/22/607555522.db2.gz QTFCJLVWAOTPEJ-UHFFFAOYSA-N -1 1 375.316 1.717 20 0 GDADMM CCn1c(C)cc2c1CCC[C@@H]2NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825782338 607563994 /nfs/dbraw/zinc/56/39/94/607563994.db2.gz DDCGKBOPEHSZAZ-AWEZNQCLSA-N -1 1 387.469 1.747 20 0 GDADMM CCn1c(C)cc2c1CCC[C@@H]2NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825782338 607563996 /nfs/dbraw/zinc/56/39/96/607563996.db2.gz DDCGKBOPEHSZAZ-AWEZNQCLSA-N -1 1 387.469 1.747 20 0 GDADMM O=C([O-])NC1(c2noc(CNS(=O)(=O)c3ccc(Cl)s3)n2)CCC1 ZINC000740549573 602418738 /nfs/dbraw/zinc/41/87/38/602418738.db2.gz ZUTMBGUGMMWJKK-UHFFFAOYSA-N -1 1 392.846 1.910 20 0 GDADMM CCN(CCNC(=O)NCc1ccc(N2CCN(CC)CC2)nc1)C(=O)[O-] ZINC000739456737 602439115 /nfs/dbraw/zinc/43/91/15/602439115.db2.gz OUMDUNWCJIIEGJ-UHFFFAOYSA-N -1 1 378.477 1.023 20 0 GDADMM Cn1c(=O)c2ccc(C(=O)N[C@@](C)(CNC(=O)[O-])C3CC3)cc2[nH]c1=S ZINC000740281347 602439851 /nfs/dbraw/zinc/43/98/51/602439851.db2.gz GGIPYDVQWJLEQV-KRWDZBQOSA-N -1 1 376.438 1.388 20 0 GDADMM CCOC(=O)N1CCC(NC(=O)CN2CCC([C@@H](C)NC(=O)[O-])CC2)CC1 ZINC000739480264 602464283 /nfs/dbraw/zinc/46/42/83/602464283.db2.gz MWABVROGXZQHOT-CYBMUJFWSA-N -1 1 384.477 1.092 20 0 GDADMM C[C@H](CN1CCN(C)CC1)NC(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000738911517 602470175 /nfs/dbraw/zinc/47/01/75/602470175.db2.gz LGPQRWJXAIWSHJ-CQSZACIVSA-N -1 1 375.473 1.875 20 0 GDADMM C[C@H](CN1CCN(C)CC1)NC(=O)Nc1cccc(OCCNC(=O)[O-])c1 ZINC000738913942 602470233 /nfs/dbraw/zinc/47/02/33/602470233.db2.gz YSWCROTYINJZEX-CQSZACIVSA-N -1 1 379.461 1.090 20 0 GDADMM COC(=O)Nc1ccc(CNC(=O)CN2CC[C@@H](CN(C)C(=O)[O-])C2)cc1 ZINC000739781641 602527905 /nfs/dbraw/zinc/52/79/05/602527905.db2.gz SNZUOVYXFFTRBC-AWEZNQCLSA-N -1 1 378.429 1.413 20 0 GDADMM CN(C[C@@H]1CCN(CC(=O)NCc2cccc(C(=O)NC3CC3)c2)C1)C(=O)[O-] ZINC000739661895 602528275 /nfs/dbraw/zinc/52/82/75/602528275.db2.gz UTJPACDVWDRQNF-HNNXBMFYSA-N -1 1 388.468 1.127 20 0 GDADMM C[C@@H]1CN(Cc2ccc(CNC(=O)N[C@H]3CCN(C(=O)[O-])C3)cc2)C[C@@H](C)O1 ZINC000739186575 602584466 /nfs/dbraw/zinc/58/44/66/602584466.db2.gz SXXKGAAQLFONNJ-RKVPGOIHSA-N -1 1 390.484 1.847 20 0 GDADMM O=C(CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)OCc1ccccc1 ZINC000826412806 607576046 /nfs/dbraw/zinc/57/60/46/607576046.db2.gz DSUPMFGZWKHLSV-UHFFFAOYSA-N -1 1 391.384 1.028 20 0 GDADMM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000739474152 602653039 /nfs/dbraw/zinc/65/30/39/602653039.db2.gz IWAAZBSNBBVERJ-UHFFFAOYSA-N -1 1 386.361 1.925 20 0 GDADMM O=C([O-])N1CCC(CNC(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)CC1 ZINC000740454122 602669546 /nfs/dbraw/zinc/66/95/46/602669546.db2.gz VABYWIRCIWHLJY-UHFFFAOYSA-N -1 1 376.392 1.800 20 0 GDADMM O=C([O-])N1CCC(CNC(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)CC1 ZINC000740454122 602669548 /nfs/dbraw/zinc/66/95/48/602669548.db2.gz VABYWIRCIWHLJY-UHFFFAOYSA-N -1 1 376.392 1.800 20 0 GDADMM C[C@H]1CCC[C@H](NC(=O)CN2CCN(CC3CCN(C(=O)[O-])CC3)CC2)C1 ZINC000739087662 602679676 /nfs/dbraw/zinc/67/96/76/602679676.db2.gz CFNQWYCTDCBHLB-WMZOPIPTSA-N -1 1 380.533 1.689 20 0 GDADMM O=C([O-])N1CCC(n2cccc2C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000740509196 602700578 /nfs/dbraw/zinc/70/05/78/602700578.db2.gz LJAYMGBBKAXXDN-AEFFLSMTSA-N -1 1 390.484 1.474 20 0 GDADMM COCCN1CCC[C@@H](NC(=O)c2cccn2C2CCN(C(=O)[O-])CC2)C1 ZINC000739832125 602700627 /nfs/dbraw/zinc/70/06/27/602700627.db2.gz FXOYXWCZGXCCPL-OAHLLOKOSA-N -1 1 378.473 1.644 20 0 GDADMM O=C([O-])N1CCC[C@H](CN2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)C1 ZINC000740513033 602737471 /nfs/dbraw/zinc/73/74/71/602737471.db2.gz SQUHEJMNMMXIAV-MJGOQNOKSA-N -1 1 386.496 1.800 20 0 GDADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCN(C(=O)[O-])C[C@H]1C ZINC000740078537 602745095 /nfs/dbraw/zinc/74/50/95/602745095.db2.gz AMLSXZIDBACJKS-OAHLLOKOSA-N -1 1 375.473 1.963 20 0 GDADMM C[C@H]1CN(C(=O)[O-])CCN1C(=O)NCCN1CCN(Cc2ccccc2)CC1 ZINC000739154164 602746899 /nfs/dbraw/zinc/74/68/99/602746899.db2.gz PAIUDFXKOKZOJZ-KRWDZBQOSA-N -1 1 389.500 1.198 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCn2c3ccccc3nc21 ZINC000826495549 607584708 /nfs/dbraw/zinc/58/47/08/607584708.db2.gz SYFKAODHRIACJB-UHFFFAOYSA-N -1 1 385.384 1.564 20 0 GDADMM O=C([O-])NCCNC(=O)[C@H]1CCCN([C@@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000740658672 602783011 /nfs/dbraw/zinc/78/30/11/602783011.db2.gz FBOPCJNWHLFABM-DOTOQJQBSA-N -1 1 388.468 1.278 20 0 GDADMM CC(C)N(C)C(=O)C1CCN(C(=O)CN2CC[C@@H](NC(=O)[O-])[C@H](C)C2)CC1 ZINC000739172314 602785283 /nfs/dbraw/zinc/78/52/83/602785283.db2.gz LHBJKZNXRZOAAE-GDBMZVCRSA-N -1 1 382.505 1.070 20 0 GDADMM CCN1CCN(c2ccc(CNC(=O)NC[C@H](NC(=O)[O-])C(C)C)cn2)CC1 ZINC000739456063 602797332 /nfs/dbraw/zinc/79/73/32/602797332.db2.gz LFGZYGMHDCMXMH-INIZCTEOSA-N -1 1 392.504 1.315 20 0 GDADMM C[C@H]1CCCC[C@@H]1OCCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824936781 607588288 /nfs/dbraw/zinc/58/82/88/607588288.db2.gz LVPWCGKVLLLXMP-AAEUAGOBSA-N -1 1 383.449 1.879 20 0 GDADMM C[C@H]1CCCC[C@@H]1OCCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824936781 607588289 /nfs/dbraw/zinc/58/82/89/607588289.db2.gz LVPWCGKVLLLXMP-AAEUAGOBSA-N -1 1 383.449 1.879 20 0 GDADMM COc1ccccc1[C@H](CNC(=O)[C@@H]1COCCN1C(=O)[O-])N1CCCC1 ZINC000739958886 602827022 /nfs/dbraw/zinc/82/70/22/602827022.db2.gz MSVUGUIHSSORGG-HOTGVXAUSA-N -1 1 377.441 1.327 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000826495544 607589737 /nfs/dbraw/zinc/58/97/37/607589737.db2.gz SVSMQESNZSAVMT-SNVBAGLBSA-N -1 1 393.860 1.812 20 0 GDADMM CCOCCCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825589229 607591925 /nfs/dbraw/zinc/59/19/25/607591925.db2.gz CFXIFBYCCRLOHL-UHFFFAOYSA-N -1 1 393.391 1.981 20 0 GDADMM Cc1ccn2cc(CNS(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)nc2c1 ZINC000826308696 607594861 /nfs/dbraw/zinc/59/48/61/607594861.db2.gz LEUWJZYUOVKPSV-UHFFFAOYSA-N -1 1 387.400 1.440 20 0 GDADMM Cc1ccn2cc(CNS(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)nc2c1 ZINC000826308696 607594862 /nfs/dbraw/zinc/59/48/62/607594862.db2.gz LEUWJZYUOVKPSV-UHFFFAOYSA-N -1 1 387.400 1.440 20 0 GDADMM O=S(=O)(N[C@H]1CCC[C@@H](O)C1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826488794 607590785 /nfs/dbraw/zinc/59/07/85/607590785.db2.gz ZICGPRJPBAVSJO-VHSXEESVSA-N -1 1 391.375 1.467 20 0 GDADMM Cc1cc(C)cc(OCCNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000826265371 607596295 /nfs/dbraw/zinc/59/62/95/607596295.db2.gz WQRLZQGBYXGWCF-UHFFFAOYSA-N -1 1 391.428 1.980 20 0 GDADMM O=S(=O)(N[C@@H]1C[C@@H]1c1cccc(F)c1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826488388 607599498 /nfs/dbraw/zinc/59/94/98/607599498.db2.gz ONLVDOIGHCNBTM-DGCLKSJQSA-N -1 1 377.376 1.979 20 0 GDADMM O=S(=O)(N[C@@H]1C[C@@H]1c1cccc(F)c1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826488388 607599499 /nfs/dbraw/zinc/59/94/99/607599499.db2.gz ONLVDOIGHCNBTM-DGCLKSJQSA-N -1 1 377.376 1.979 20 0 GDADMM COCCN(CC(F)(F)F)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826157764 607600424 /nfs/dbraw/zinc/60/04/24/607600424.db2.gz KYIHVHRJSJYKNC-UHFFFAOYSA-N -1 1 383.327 1.205 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)Nc1ccc(-c2nc(CNC(=O)[O-])n[nH]2)cc1 ZINC000738949128 603058075 /nfs/dbraw/zinc/05/80/75/603058075.db2.gz KHJDPJQKDSBXCJ-SNVBAGLBSA-N -1 1 388.428 1.729 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)C)C(=O)Nc1ccc(-c2n[nH]c(CNC(=O)[O-])n2)cc1 ZINC000738949128 603058078 /nfs/dbraw/zinc/05/80/78/603058078.db2.gz KHJDPJQKDSBXCJ-SNVBAGLBSA-N -1 1 388.428 1.729 20 0 GDADMM COc1nc(C)cc(C)c1CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826221505 607605453 /nfs/dbraw/zinc/60/54/53/607605453.db2.gz IWYOSBRMKVYTAU-UHFFFAOYSA-N -1 1 392.416 1.505 20 0 GDADMM COc1nc(C)cc(C)c1CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826221505 607605455 /nfs/dbraw/zinc/60/54/55/607605455.db2.gz IWYOSBRMKVYTAU-UHFFFAOYSA-N -1 1 392.416 1.505 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCC[C@H](C2OCCO2)C1 ZINC000826495221 607606122 /nfs/dbraw/zinc/60/61/22/607606122.db2.gz HSAFLXFPJRIEJC-JTQLQIEISA-N -1 1 399.860 1.294 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCC[C@H](C2OCCO2)C1 ZINC000826495221 607606123 /nfs/dbraw/zinc/60/61/23/607606123.db2.gz HSAFLXFPJRIEJC-JTQLQIEISA-N -1 1 399.860 1.294 20 0 GDADMM CN1CCN(c2ccc(CNC(=O)NC3CCC(NC(=O)[O-])CC3)cn2)CC1 ZINC000739736915 603092195 /nfs/dbraw/zinc/09/21/95/603092195.db2.gz SGJBPWOYHCSDMT-UHFFFAOYSA-N -1 1 390.488 1.211 20 0 GDADMM CCN(CC(=O)OC)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825399424 607606330 /nfs/dbraw/zinc/60/63/30/607606330.db2.gz SOFFPHZKDSKINJ-UHFFFAOYSA-N -1 1 393.347 1.069 20 0 GDADMM CCC(CC)(CNC(=O)[O-])NC(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000739254981 603098922 /nfs/dbraw/zinc/09/89/22/603098922.db2.gz VYYCUFBPDGLRJX-UHFFFAOYSA-N -1 1 376.501 1.990 20 0 GDADMM CN(C)[C@@H](CNC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1)c1ccc(F)cc1 ZINC000739602653 603120798 /nfs/dbraw/zinc/12/07/98/603120798.db2.gz PGPNCILRNWMZQV-INIZCTEOSA-N -1 1 380.464 1.619 20 0 GDADMM CCN(C)C(=O)c1cccc(OS(=O)(=O)c2ccccc2-c2nn[n-]n2)c1 ZINC000825390299 607614768 /nfs/dbraw/zinc/61/47/68/607614768.db2.gz CVRAMHSAEIZXGE-UHFFFAOYSA-N -1 1 387.421 1.726 20 0 GDADMM Cc1nc2n(c1C)CCN(S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)C2 ZINC000826329253 607621854 /nfs/dbraw/zinc/62/18/54/607621854.db2.gz WEGXYNOUMAIXIA-UHFFFAOYSA-N -1 1 393.860 1.538 20 0 GDADMM Cc1nc2n(c1C)CCN(S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)C2 ZINC000826329253 607621855 /nfs/dbraw/zinc/62/18/55/607621855.db2.gz WEGXYNOUMAIXIA-UHFFFAOYSA-N -1 1 393.860 1.538 20 0 GDADMM Cc1ccc(N2CC[C@@H](N3CCC[C@H](C(=O)NCCNC(=O)[O-])C3)C2=O)cc1 ZINC000740130943 603331133 /nfs/dbraw/zinc/33/11/33/603331133.db2.gz QKOLCUSAQNDGJR-DOTOQJQBSA-N -1 1 388.468 1.196 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC(c2ccc(O)cc2)CC1 ZINC000826494748 607623107 /nfs/dbraw/zinc/62/31/07/607623107.db2.gz NPUFPMKXSSUTLQ-UHFFFAOYSA-N -1 1 386.437 1.536 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC(c2ccc(O)cc2)CC1 ZINC000826494748 607623108 /nfs/dbraw/zinc/62/31/08/607623108.db2.gz NPUFPMKXSSUTLQ-UHFFFAOYSA-N -1 1 386.437 1.536 20 0 GDADMM O=C([O-])N1CC[C@@H](CN2CCN(CC(=O)N3CCCc4ccccc43)CC2)C1 ZINC000740504395 603344478 /nfs/dbraw/zinc/34/44/78/603344478.db2.gz XAFFPJSTWXBNME-KRWDZBQOSA-N -1 1 386.496 1.583 20 0 GDADMM COc1ccccc1[C@H](O)CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826219039 607626829 /nfs/dbraw/zinc/62/68/29/607626829.db2.gz RGNKSBFBEPRITM-CYBMUJFWSA-N -1 1 393.400 1.026 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCC[C@@H]([C@H](C)O)C1 ZINC000826328186 607629888 /nfs/dbraw/zinc/62/98/88/607629888.db2.gz IHWSAPVNIJNSRD-UONOGXRCSA-N -1 1 398.471 1.078 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCC[C@@H]([C@H](C)O)C1 ZINC000826328186 607629889 /nfs/dbraw/zinc/62/98/89/607629889.db2.gz IHWSAPVNIJNSRD-UONOGXRCSA-N -1 1 398.471 1.078 20 0 GDADMM C[C@@H](O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000824707795 607630851 /nfs/dbraw/zinc/63/08/51/607630851.db2.gz WBWSIXSUJVZNJR-LLVKDONJSA-N -1 1 383.449 1.710 20 0 GDADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N(C)CC(C)(C)CNC(=O)[O-] ZINC000829821863 603510574 /nfs/dbraw/zinc/51/05/74/603510574.db2.gz ZHXZGBKDEKZBPI-UHFFFAOYSA-N -1 1 388.428 1.242 20 0 GDADMM CCCc1nnc([C@@H]2CN(C(=O)NCC(CC)(CC)NC(=O)[O-])CCO2)[nH]1 ZINC000826953345 603526236 /nfs/dbraw/zinc/52/62/36/603526236.db2.gz GTQBSVFHJYAEKJ-LBPRGKRZSA-N -1 1 382.465 1.667 20 0 GDADMM CCCc1n[nH]c([C@@H]2CN(C(=O)NCC(CC)(CC)NC(=O)[O-])CCO2)n1 ZINC000826953345 603526240 /nfs/dbraw/zinc/52/62/40/603526240.db2.gz GTQBSVFHJYAEKJ-LBPRGKRZSA-N -1 1 382.465 1.667 20 0 GDADMM C[C@@](O)(CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)C1CC1 ZINC000824671075 607636413 /nfs/dbraw/zinc/63/64/13/607636413.db2.gz WJMJZPLOPRACFO-CYBMUJFWSA-N -1 1 391.375 1.325 20 0 GDADMM CN(C)Cc1ccc(C(N)=O)cc1NC(=O)NCC[C@H]1CCN(C(=O)[O-])C1 ZINC000828042361 603562245 /nfs/dbraw/zinc/56/22/45/603562245.db2.gz AZSXSLYSWBFARY-LBPRGKRZSA-N -1 1 377.445 1.359 20 0 GDADMM CCC[C@H](O)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825248391 607637028 /nfs/dbraw/zinc/63/70/28/607637028.db2.gz SLBOSBDAJCHKSG-VIFPVBQESA-N -1 1 379.364 1.325 20 0 GDADMM O=C([O-])Nc1ccc(CCNC(=O)N2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000832840595 603575118 /nfs/dbraw/zinc/57/51/18/603575118.db2.gz SVDWAUNSXAZJKC-INIZCTEOSA-N -1 1 376.457 1.683 20 0 GDADMM O=C([O-])NC[C@@H]1CCCN1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000832572543 603579387 /nfs/dbraw/zinc/57/93/87/603579387.db2.gz DAXDDLHFKWXVAF-LBPRGKRZSA-N -1 1 381.230 1.689 20 0 GDADMM Cc1ccccc1[C@H](O)CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826305644 607638679 /nfs/dbraw/zinc/63/86/79/607638679.db2.gz DPXLMVOBGPFZPV-CYBMUJFWSA-N -1 1 393.856 1.840 20 0 GDADMM Cc1ccccc1[C@H](O)CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826305644 607638680 /nfs/dbraw/zinc/63/86/80/607638680.db2.gz DPXLMVOBGPFZPV-CYBMUJFWSA-N -1 1 393.856 1.840 20 0 GDADMM O=C([O-])NC[C@H]1CCCC[C@@]12NC(=O)N(CN(CC1CC1)CC1CC1)C2=O ZINC000832498793 603604576 /nfs/dbraw/zinc/60/45/76/603604576.db2.gz LOWVIOLSYKOEMN-DNVCBOLYSA-N -1 1 378.473 1.814 20 0 GDADMM CC(C)C[C@H](CNC(=O)[O-])NC(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000824197282 603617804 /nfs/dbraw/zinc/61/78/04/603617804.db2.gz VBSCMSVZFFCPJP-MRXNPFEDSA-N -1 1 392.504 1.315 20 0 GDADMM O=C([O-])NC[C@@H](NC(=O)N1CCN(C[C@@H]2CCOC2)CC1)C1CCCCC1 ZINC000832420876 603656044 /nfs/dbraw/zinc/65/60/44/603656044.db2.gz HXULDETXPOKSBF-DOTOQJQBSA-N -1 1 382.505 1.567 20 0 GDADMM O=C([O-])N[C@H](CNC(=O)N1CCN(C[C@H]2CCOC2)CC1)c1ccccc1 ZINC000832128018 603670317 /nfs/dbraw/zinc/67/03/17/603670317.db2.gz LVSCDJAITWULFA-NVXWUHKLSA-N -1 1 376.457 1.359 20 0 GDADMM O=S(=O)(N[C@H](CCO)c1ccccc1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826492722 607645309 /nfs/dbraw/zinc/64/53/09/607645309.db2.gz ZXTAUKSTSRIUDY-CYBMUJFWSA-N -1 1 393.856 1.922 20 0 GDADMM O=S(=O)(N[C@H](CCO)c1ccccc1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826492722 607645312 /nfs/dbraw/zinc/64/53/12/607645312.db2.gz ZXTAUKSTSRIUDY-CYBMUJFWSA-N -1 1 393.856 1.922 20 0 GDADMM COc1cccc([C@@H](CO)NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000826215362 607645478 /nfs/dbraw/zinc/64/54/78/607645478.db2.gz MZCFNUNVULUWLU-CQSZACIVSA-N -1 1 393.400 1.026 20 0 GDADMM O=C([O-])NC[C@H]1CCCN1C(=O)NCCN1CCN(Cc2ccccc2)CC1 ZINC000832551896 603705810 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/nfs/dbraw/zinc/65/69/84/607656984.db2.gz SWLWRKZCZNNNTB-LLVKDONJSA-N -1 1 387.893 1.843 20 0 GDADMM CC(=O)N1CC[C@@](C)(C(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)C1 ZINC000823550823 603908493 /nfs/dbraw/zinc/90/84/93/603908493.db2.gz ZMYDVNRWRFIYEL-GOSISDBHSA-N -1 1 386.412 1.436 20 0 GDADMM CC(=O)N1CC[C@@](C)(C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)C1 ZINC000823550823 603908496 /nfs/dbraw/zinc/90/84/96/603908496.db2.gz ZMYDVNRWRFIYEL-GOSISDBHSA-N -1 1 386.412 1.436 20 0 GDADMM C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000826050502 603908659 /nfs/dbraw/zinc/90/86/59/603908659.db2.gz XUSWUVXQLFMHQH-LRDDRELGSA-N -1 1 386.452 1.655 20 0 GDADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)CN3CCSC3=O)cc2)n1 ZINC000832729927 603913708 /nfs/dbraw/zinc/91/37/08/603913708.db2.gz LEGIXNXFHIHPOJ-UHFFFAOYSA-N -1 1 376.398 1.347 20 0 GDADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)CN3CCSC3=O)cc2)n[nH]1 ZINC000832729927 603913709 /nfs/dbraw/zinc/91/37/09/603913709.db2.gz LEGIXNXFHIHPOJ-UHFFFAOYSA-N 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398.463 1.349 20 0 GDADMM Cc1nc(N2CCOCC2)ccc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000833001362 604404767 /nfs/dbraw/zinc/40/47/67/604404767.db2.gz ATKBRJOFKJXRGH-UHFFFAOYSA-N -1 1 380.426 1.064 20 0 GDADMM O=C([O-])CSCc1cccc(NC(=O)C(=O)N[C@@H]2CCCc3cn[nH]c32)c1 ZINC000833261680 604424518 /nfs/dbraw/zinc/42/45/18/604424518.db2.gz KVDSFLAMFOVJFS-CQSZACIVSA-N -1 1 388.449 1.860 20 0 GDADMM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)[C@@H](C)NC(=O)c1n[nH]c2ccccc21 ZINC000826996038 604440026 /nfs/dbraw/zinc/44/00/26/604440026.db2.gz RAZXRWOQLKALHL-RISCZKNCSA-N -1 1 376.413 1.018 20 0 GDADMM CS[C@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)C[C@H]1N(C)C ZINC000833737678 604466846 /nfs/dbraw/zinc/46/68/46/604466846.db2.gz DSNPLSJVNASFDF-OLZOCXBDSA-N -1 1 378.903 1.704 20 0 GDADMM CS[C@@H]1CN(S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)C[C@H]1N(C)C ZINC000833738851 604467943 /nfs/dbraw/zinc/46/79/43/604467943.db2.gz UXQBOTVEVWWVQB-HUUCEWRRSA-N -1 1 388.511 1.206 20 0 GDADMM 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/nfs/dbraw/zinc/05/52/49/606055249.db2.gz WDJLVXICEQWLEQ-OAHLLOKOSA-N -1 1 383.452 1.671 20 0 GDADMM COC(=O)c1cc(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)ccc1C ZINC000821668231 606115510 /nfs/dbraw/zinc/11/55/10/606115510.db2.gz WIPFZUFPMYXOGK-UHFFFAOYSA-N -1 1 399.415 1.021 20 0 GDADMM COC(=O)c1cc(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)ccc1C ZINC000821668231 606115512 /nfs/dbraw/zinc/11/55/12/606115512.db2.gz WIPFZUFPMYXOGK-UHFFFAOYSA-N -1 1 399.415 1.021 20 0 GDADMM O=C(OCCCS(=O)(=O)c1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823405923 606133044 /nfs/dbraw/zinc/13/30/44/606133044.db2.gz XUSGZJHKSSEGLN-UHFFFAOYSA-N -1 1 378.435 1.949 20 0 GDADMM O=C(OCCCS(=O)(=O)c1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823405923 606133046 /nfs/dbraw/zinc/13/30/46/606133046.db2.gz XUSGZJHKSSEGLN-UHFFFAOYSA-N -1 1 378.435 1.949 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)Nc1sccc1C(N)=O ZINC000820511861 606135532 /nfs/dbraw/zinc/13/55/32/606135532.db2.gz DMINGPLPPBZNJI-ZCFIWIBFSA-N -1 1 392.422 1.273 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)Nc1sccc1C(N)=O ZINC000820511861 606135533 /nfs/dbraw/zinc/13/55/33/606135533.db2.gz DMINGPLPPBZNJI-ZCFIWIBFSA-N -1 1 392.422 1.273 20 0 GDADMM CC(C)COc1ccc(CCNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000820102692 606155039 /nfs/dbraw/zinc/15/50/39/606155039.db2.gz HCUUOBXQDIAFFZ-UHFFFAOYSA-N -1 1 384.444 1.999 20 0 GDADMM CC(C)COc1ccc(CCNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000820102692 606155040 /nfs/dbraw/zinc/15/50/40/606155040.db2.gz HCUUOBXQDIAFFZ-UHFFFAOYSA-N -1 1 384.444 1.999 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCc2ccc(Br)s2)n1 ZINC000822620468 606160099 /nfs/dbraw/zinc/16/00/99/606160099.db2.gz RYTOEWFDISCCAY-UHFFFAOYSA-N -1 1 397.262 1.788 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCc2ccc(Br)s2)n1 ZINC000822620468 606160101 /nfs/dbraw/zinc/16/01/01/606160101.db2.gz RYTOEWFDISCCAY-UHFFFAOYSA-N -1 1 397.262 1.788 20 0 GDADMM CO[C@@H](CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000821677256 606167953 /nfs/dbraw/zinc/16/79/53/606167953.db2.gz SEPGONOGHRIHOI-LBPRGKRZSA-N -1 1 376.808 1.763 20 0 GDADMM CO[C@@H](CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000821677256 606167955 /nfs/dbraw/zinc/16/79/55/606167955.db2.gz SEPGONOGHRIHOI-LBPRGKRZSA-N -1 1 376.808 1.763 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)n1 ZINC000822614272 606172453 /nfs/dbraw/zinc/17/24/53/606172453.db2.gz LCJLUDIRCFGHCD-NSHDSACASA-N -1 1 385.407 1.387 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)n1 ZINC000822614272 606172454 /nfs/dbraw/zinc/17/24/54/606172454.db2.gz LCJLUDIRCFGHCD-NSHDSACASA-N -1 1 385.407 1.387 20 0 GDADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(-c3nn[nH]n3)cc2F)o1 ZINC000821342293 606201728 /nfs/dbraw/zinc/20/17/28/606201728.db2.gz ARGZZTWKZFRLSY-UHFFFAOYSA-N -1 1 395.372 1.254 20 0 GDADMM O=C1CCCN1CC[C@H]1CN(c2nccnc2-c2nnn[n-]2)c2ccccc21 ZINC000823531091 606232204 /nfs/dbraw/zinc/23/22/04/606232204.db2.gz YCXYGCCCDFGVGI-ZDUSSCGKSA-N -1 1 376.424 1.905 20 0 GDADMM O=C1CCCN1CC[C@H]1CN(c2nccnc2-c2nn[n-]n2)c2ccccc21 ZINC000823531091 606232206 /nfs/dbraw/zinc/23/22/06/606232206.db2.gz YCXYGCCCDFGVGI-ZDUSSCGKSA-N -1 1 376.424 1.905 20 0 GDADMM COc1ccccc1N1C[C@@H](C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CC1=O ZINC000821898072 606296676 /nfs/dbraw/zinc/29/66/76/606296676.db2.gz MHHWEPYHNHQALR-LBPRGKRZSA-N -1 1 394.391 1.573 20 0 GDADMM CN1C(=O)N[C@@]2(CCC[C@H]2CNc2snc(Cl)c2-c2nnn[n-]2)C1=O ZINC000821620907 606422902 /nfs/dbraw/zinc/42/29/02/606422902.db2.gz ZNQDYOYWLFEAEX-DAZKTRTLSA-N -1 1 382.837 1.109 20 0 GDADMM CN1C(=O)N[C@@]2(CCC[C@H]2CNc2snc(Cl)c2-c2nn[n-]n2)C1=O ZINC000821620907 606422903 /nfs/dbraw/zinc/42/29/03/606422903.db2.gz ZNQDYOYWLFEAEX-DAZKTRTLSA-N -1 1 382.837 1.109 20 0 GDADMM C[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1cccc(S(N)(=O)=O)c1 ZINC000820455329 606442928 /nfs/dbraw/zinc/44/29/28/606442928.db2.gz GZVWLMOSVNNHFQ-MRVPVSSYSA-N -1 1 379.833 1.736 20 0 GDADMM C[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)c1cccc(S(N)(=O)=O)c1 ZINC000820455329 606442930 /nfs/dbraw/zinc/44/29/30/606442930.db2.gz GZVWLMOSVNNHFQ-MRVPVSSYSA-N -1 1 379.833 1.736 20 0 GDADMM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000820443902 606473909 /nfs/dbraw/zinc/47/39/09/606473909.db2.gz AQRLBUZWGQVTGJ-XMZIXOGTSA-N -1 1 386.437 1.493 20 0 GDADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000820443902 606473911 /nfs/dbraw/zinc/47/39/11/606473911.db2.gz AQRLBUZWGQVTGJ-XMZIXOGTSA-N -1 1 386.437 1.493 20 0 GDADMM O=C(Nc1ccc(CN2C(=O)CNC2=O)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823323336 606502283 /nfs/dbraw/zinc/50/22/83/606502283.db2.gz KXRSUSFBABDZPS-UHFFFAOYSA-N -1 1 383.393 1.232 20 0 GDADMM O=C(Nc1ccc(CN2C(=O)CNC2=O)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823323336 606502285 /nfs/dbraw/zinc/50/22/85/606502285.db2.gz KXRSUSFBABDZPS-UHFFFAOYSA-N -1 1 383.393 1.232 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000823436471 606519432 /nfs/dbraw/zinc/51/94/32/606519432.db2.gz WVCUUWHSUCJYDE-UHFFFAOYSA-N -1 1 392.375 1.268 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000823436471 606519434 /nfs/dbraw/zinc/51/94/34/606519434.db2.gz WVCUUWHSUCJYDE-UHFFFAOYSA-N -1 1 392.375 1.268 20 0 GDADMM CCOC(=O)C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1C ZINC000821325763 606524943 /nfs/dbraw/zinc/52/49/43/606524943.db2.gz MGVRGNLYOOLAIU-MRXNPFEDSA-N -1 1 380.408 1.994 20 0 GDADMM CCOC(=O)C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1C ZINC000821325763 606524944 /nfs/dbraw/zinc/52/49/44/606524944.db2.gz MGVRGNLYOOLAIU-MRXNPFEDSA-N -1 1 380.408 1.994 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCc1ccc(C(N)=O)o1 ZINC000822541021 606529605 /nfs/dbraw/zinc/52/96/05/606529605.db2.gz LAENQSRCHKSIKC-UHFFFAOYSA-N -1 1 381.352 1.181 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCc1ccc(C(N)=O)o1 ZINC000822541021 606529607 /nfs/dbraw/zinc/52/96/07/606529607.db2.gz LAENQSRCHKSIKC-UHFFFAOYSA-N -1 1 381.352 1.181 20 0 GDADMM O=C(Cn1c2ccccc2nc1C(F)(F)F)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000823118505 606532913 /nfs/dbraw/zinc/53/29/13/606532913.db2.gz BORBDLDKXGUDRL-UHFFFAOYSA-N -1 1 377.290 1.597 20 0 GDADMM O=C(Cn1c2ccccc2nc1C(F)(F)F)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000823118505 606532915 /nfs/dbraw/zinc/53/29/15/606532915.db2.gz BORBDLDKXGUDRL-UHFFFAOYSA-N -1 1 377.290 1.597 20 0 GDADMM COC(=O)[C@H]1CCCCN1C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821665828 606545072 /nfs/dbraw/zinc/54/50/72/606545072.db2.gz DNSCHURWALFEFD-CYBMUJFWSA-N -1 1 388.428 1.071 20 0 GDADMM O=C(NCCCN1C(=O)COc2ccccc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823187676 606573871 /nfs/dbraw/zinc/57/38/71/606573871.db2.gz NIMBENPMNAKYNW-UHFFFAOYSA-N -1 1 384.421 1.474 20 0 GDADMM O=C(NCCCN1C(=O)COc2ccccc21)c1ccc(-c2nn[n-]n2)s1 ZINC000823187676 606573872 /nfs/dbraw/zinc/57/38/72/606573872.db2.gz NIMBENPMNAKYNW-UHFFFAOYSA-N -1 1 384.421 1.474 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)N[C@H](C)C(=O)N(C)C)c1-c1nn[n-]n1 ZINC000737188739 606580450 /nfs/dbraw/zinc/58/04/50/606580450.db2.gz FOUXIJDPAGHZIW-MRVPVSSYSA-N -1 1 375.458 1.068 20 0 GDADMM Cc1ccn(C)c(=O)c1NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000822369409 606607660 /nfs/dbraw/zinc/60/76/60/606607660.db2.gz IZPIGHWGMVTTRI-UHFFFAOYSA-N -1 1 383.412 1.163 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCO[C@@H](c2ccco2)C1 ZINC000822004513 606622654 /nfs/dbraw/zinc/62/26/54/606622654.db2.gz IMSIKCRMSIRXJP-OAHLLOKOSA-N -1 1 398.423 1.710 20 0 GDADMM O=C(Cc1ccccc1)N1CCC[C@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823436458 606649119 /nfs/dbraw/zinc/64/91/19/606649119.db2.gz WLVSKINQKLIARV-KRWDZBQOSA-N -1 1 392.419 1.539 20 0 GDADMM O=C(Cc1ccccc1)N1CCC[C@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823436458 606649120 /nfs/dbraw/zinc/64/91/20/606649120.db2.gz WLVSKINQKLIARV-KRWDZBQOSA-N -1 1 392.419 1.539 20 0 GDADMM CC1CCC(N2C[C@@H](C(=O)OCc3ccnc(-c4nnn[n-]4)c3)CC2=O)CC1 ZINC000820690281 606649402 /nfs/dbraw/zinc/64/94/02/606649402.db2.gz IVHLIBRJOUPRLP-BLZCZZARSA-N -1 1 384.440 1.732 20 0 GDADMM CC1CCC(N2C[C@@H](C(=O)OCc3ccnc(-c4nn[n-]n4)c3)CC2=O)CC1 ZINC000820690281 606649403 /nfs/dbraw/zinc/64/94/03/606649403.db2.gz IVHLIBRJOUPRLP-BLZCZZARSA-N -1 1 384.440 1.732 20 0 GDADMM O=C(N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1)C1(O)CCCCC1 ZINC000823140162 606660003 /nfs/dbraw/zinc/66/00/03/606660003.db2.gz PTTKNINMYLEQPG-UHFFFAOYSA-N -1 1 387.444 1.076 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2c(F)cc(Br)cc2F)n1 ZINC000822620527 606684578 /nfs/dbraw/zinc/68/45/78/606684578.db2.gz VESDTOQEKVBDNO-UHFFFAOYSA-N -1 1 384.144 1.893 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2c(F)cc(Br)cc2F)n1 ZINC000822620527 606684579 /nfs/dbraw/zinc/68/45/79/606684579.db2.gz VESDTOQEKVBDNO-UHFFFAOYSA-N -1 1 384.144 1.893 20 0 GDADMM Cn1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc(Br)c1=O ZINC000822684557 606692514 /nfs/dbraw/zinc/69/25/14/606692514.db2.gz BESRBGSQBNVHTA-UHFFFAOYSA-N -1 1 381.215 1.642 20 0 GDADMM Cn1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc(Br)c1=O ZINC000822684557 606692515 /nfs/dbraw/zinc/69/25/15/606692515.db2.gz BESRBGSQBNVHTA-UHFFFAOYSA-N -1 1 381.215 1.642 20 0 GDADMM CC[C@@H]1CN(C)c2ccccc2CN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820994480 606696970 /nfs/dbraw/zinc/69/69/70/606696970.db2.gz ITPBXVMHTFRRLN-CYBMUJFWSA-N -1 1 381.444 1.863 20 0 GDADMM CC[C@@H]1CN(C)c2ccccc2CN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820994480 606696971 /nfs/dbraw/zinc/69/69/71/606696971.db2.gz ITPBXVMHTFRRLN-CYBMUJFWSA-N -1 1 381.444 1.863 20 0 GDADMM Cn1cc([C@]2(C)CN(c3cc(-c4nnn[n-]4)nc4ccccc43)CCO2)cn1 ZINC000822674275 606730139 /nfs/dbraw/zinc/73/01/39/606730139.db2.gz PKIDHQCEZUMUJX-IBGZPJMESA-N -1 1 376.424 1.900 20 0 GDADMM Cn1cc([C@]2(C)CN(c3cc(-c4nn[n-]n4)nc4ccccc43)CCO2)cn1 ZINC000822674275 606730141 /nfs/dbraw/zinc/73/01/41/606730141.db2.gz PKIDHQCEZUMUJX-IBGZPJMESA-N -1 1 376.424 1.900 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)CCCCNC(=O)OCc2ccccc2)n1 ZINC000822604488 606735392 /nfs/dbraw/zinc/73/53/92/606735392.db2.gz GCKQRYGVGATVGL-UHFFFAOYSA-N -1 1 398.427 1.635 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)CCCCNC(=O)OCc2ccccc2)n1 ZINC000822604488 606735394 /nfs/dbraw/zinc/73/53/94/606735394.db2.gz GCKQRYGVGATVGL-UHFFFAOYSA-N -1 1 398.427 1.635 20 0 GDADMM CN(C)c1ccc(-c2nn[nH]n2)c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000821589575 606751421 /nfs/dbraw/zinc/75/14/21/606751421.db2.gz UIPIWUQDSONPFS-UHFFFAOYSA-N -1 1 388.409 1.432 20 0 GDADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H](C)c2cccc(-c3nn[nH]n3)c2)o1 ZINC000821637768 606759940 /nfs/dbraw/zinc/75/99/40/606759940.db2.gz SMDKEGMVYHIGDB-VIFPVBQESA-N -1 1 377.382 1.286 20 0 GDADMM Cc1ccc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cc1 ZINC000822248781 606768689 /nfs/dbraw/zinc/76/86/89/606768689.db2.gz NLSJQSBWVUWNCK-ZDUSSCGKSA-N -1 1 379.428 1.708 20 0 GDADMM Cc1ccc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cc1 ZINC000822248781 606768690 /nfs/dbraw/zinc/76/86/90/606768690.db2.gz NLSJQSBWVUWNCK-ZDUSSCGKSA-N -1 1 379.428 1.708 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@@H](CC(=O)OC(C)(C)C)C2)n1 ZINC000822609664 606771864 /nfs/dbraw/zinc/77/18/64/606771864.db2.gz UECXTKSZSRVRHH-NSHDSACASA-N -1 1 390.448 1.576 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@@H](CC(=O)OC(C)(C)C)C2)n1 ZINC000822609664 606771865 /nfs/dbraw/zinc/77/18/65/606771865.db2.gz UECXTKSZSRVRHH-NSHDSACASA-N -1 1 390.448 1.576 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CC(OCCCc3ccccc3)C2)n1 ZINC000822605085 606772236 /nfs/dbraw/zinc/77/22/36/606772236.db2.gz XVWUGULMVBTDBW-UHFFFAOYSA-N -1 1 382.428 1.466 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CC(OCCCc3ccccc3)C2)n1 ZINC000822605085 606772238 /nfs/dbraw/zinc/77/22/38/606772238.db2.gz XVWUGULMVBTDBW-UHFFFAOYSA-N -1 1 382.428 1.466 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cc(-c2ccco2)on1 ZINC000820803726 606778273 /nfs/dbraw/zinc/77/82/73/606778273.db2.gz GJOAFOLBCXHOAS-GFCCVEGCSA-N -1 1 393.411 1.615 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1cc(-c2ccco2)on1 ZINC000820803726 606778274 /nfs/dbraw/zinc/77/82/74/606778274.db2.gz GJOAFOLBCXHOAS-GFCCVEGCSA-N -1 1 393.411 1.615 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cn2ccccc2n1 ZINC000820803804 606780431 /nfs/dbraw/zinc/78/04/31/606780431.db2.gz HMVKEYCVCMTITC-CYBMUJFWSA-N -1 1 376.428 1.015 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1cn2ccccc2n1 ZINC000820803804 606780432 /nfs/dbraw/zinc/78/04/32/606780432.db2.gz HMVKEYCVCMTITC-CYBMUJFWSA-N -1 1 376.428 1.015 20 0 GDADMM Cc1ccc(CNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)s1 ZINC000822237018 606787656 /nfs/dbraw/zinc/78/76/56/606787656.db2.gz ATORDXQRUQPAMU-LLVKDONJSA-N -1 1 399.484 1.447 20 0 GDADMM Cc1ccc(CNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)s1 ZINC000822237018 606787658 /nfs/dbraw/zinc/78/76/58/606787658.db2.gz ATORDXQRUQPAMU-LLVKDONJSA-N -1 1 399.484 1.447 20 0 GDADMM CSCC[C@H](C)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821962777 606792809 /nfs/dbraw/zinc/79/28/09/606792809.db2.gz WPKJGOHFEWPILB-NWDGAFQWSA-N -1 1 391.505 1.018 20 0 GDADMM CSCC[C@H](C)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821962777 606792812 /nfs/dbraw/zinc/79/28/12/606792812.db2.gz WPKJGOHFEWPILB-NWDGAFQWSA-N -1 1 391.505 1.018 20 0 GDADMM Cc1cc(N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)nc(C2CC2)n1 ZINC000822207489 606809628 /nfs/dbraw/zinc/80/96/28/606809628.db2.gz YEFDGUGRSKLWIQ-LBPRGKRZSA-N -1 1 378.444 1.348 20 0 GDADMM Cc1cc(N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)nc(C2CC2)n1 ZINC000822207489 606809631 /nfs/dbraw/zinc/80/96/31/606809631.db2.gz YEFDGUGRSKLWIQ-LBPRGKRZSA-N -1 1 378.444 1.348 20 0 GDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cc(I)ccc1F ZINC000822903175 606816355 /nfs/dbraw/zinc/81/63/55/606816355.db2.gz HQUVBCYEIBFYOJ-UHFFFAOYSA-N -1 1 399.127 1.078 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CC[C@H](Oc3cccnc3)C2)cc1-c1nn[n-]n1 ZINC000821970216 606818801 /nfs/dbraw/zinc/81/88/01/606818801.db2.gz LMYPYQURFSSHNL-NSHDSACASA-N -1 1 399.436 1.378 20 0 GDADMM C[C@H](CC1CCCC1)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820235000 606821144 /nfs/dbraw/zinc/82/11/44/606821144.db2.gz QADIQDZXIFAHQW-KGLIPLIRSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](CC1CCCC1)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820235000 606821145 /nfs/dbraw/zinc/82/11/45/606821145.db2.gz QADIQDZXIFAHQW-KGLIPLIRSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C=Cc1cccs1 ZINC000820778970 606825096 /nfs/dbraw/zinc/82/50/96/606825096.db2.gz ZMVQRQLQKJODFU-ITKZLYELSA-N -1 1 382.453 1.469 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C=Cc1cccs1 ZINC000820778970 606825097 /nfs/dbraw/zinc/82/50/97/606825097.db2.gz ZMVQRQLQKJODFU-ITKZLYELSA-N -1 1 382.453 1.469 20 0 GDADMM Cc1ccc([C@@H](C)C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)o1 ZINC000822227904 606825611 /nfs/dbraw/zinc/82/56/11/606825611.db2.gz ZTVPILKEKHSHAZ-DGCLKSJQSA-N -1 1 382.428 1.399 20 0 GDADMM Cc1ccc([C@@H](C)C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)o1 ZINC000822227904 606825613 /nfs/dbraw/zinc/82/56/13/606825613.db2.gz ZTVPILKEKHSHAZ-DGCLKSJQSA-N -1 1 382.428 1.399 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCC1CCCCC1 ZINC000820788690 606825896 /nfs/dbraw/zinc/82/58/96/606825896.db2.gz MHMFCYISHUQEIQ-ZDUSSCGKSA-N -1 1 385.476 1.457 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCC1CCCCC1 ZINC000820788690 606825898 /nfs/dbraw/zinc/82/58/98/606825898.db2.gz MHMFCYISHUQEIQ-ZDUSSCGKSA-N -1 1 385.476 1.457 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)/C=C\C1CCCCC1 ZINC000820777285 606830001 /nfs/dbraw/zinc/83/00/01/606830001.db2.gz QRIZHHGOIKXISU-DANTVBBOSA-N -1 1 382.472 1.830 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)/C=C\C1CCCCC1 ZINC000820777285 606830002 /nfs/dbraw/zinc/83/00/02/606830002.db2.gz QRIZHHGOIKXISU-DANTVBBOSA-N -1 1 382.472 1.830 20 0 GDADMM Cc1ccccc1NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000822362109 606831901 /nfs/dbraw/zinc/83/19/01/606831901.db2.gz MLWQYBJBEFBVLS-ZDUSSCGKSA-N -1 1 379.428 1.708 20 0 GDADMM Cc1ccccc1NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000822362109 606831902 /nfs/dbraw/zinc/83/19/02/606831902.db2.gz MLWQYBJBEFBVLS-ZDUSSCGKSA-N -1 1 379.428 1.708 20 0 GDADMM Cc1ncc(C=CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)s1 ZINC000822468073 606832387 /nfs/dbraw/zinc/83/23/87/606832387.db2.gz WXLNHQWJLONWBG-BYCRGOAPSA-N -1 1 397.468 1.172 20 0 GDADMM Cc1ncc(C=CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)s1 ZINC000822468073 606832389 /nfs/dbraw/zinc/83/23/89/606832389.db2.gz WXLNHQWJLONWBG-BYCRGOAPSA-N -1 1 397.468 1.172 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCc2ccccc2OC(F)(F)F)n1 ZINC000822620208 606836918 /nfs/dbraw/zinc/83/69/18/606836918.db2.gz LXGBOIHDMYXYRI-UHFFFAOYSA-N -1 1 396.333 1.863 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCc2ccccc2OC(F)(F)F)n1 ZINC000822620208 606836921 /nfs/dbraw/zinc/83/69/21/606836921.db2.gz LXGBOIHDMYXYRI-UHFFFAOYSA-N -1 1 396.333 1.863 20 0 GDADMM COc1ccc(CN(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1F ZINC000821794866 606840818 /nfs/dbraw/zinc/84/08/18/606840818.db2.gz OQRNRLSUFZTJLB-UHFFFAOYSA-N -1 1 395.391 1.974 20 0 GDADMM O=C([O-])c1ccc(F)c(NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)c1 ZINC000823387327 606864842 /nfs/dbraw/zinc/86/48/42/606864842.db2.gz IKBLEJIOSPPEJC-UHFFFAOYSA-N -1 1 399.310 1.783 20 0 GDADMM c1nc2c(c(N3CCN(c4oc(C5CC5)nc4-c4nn[n-]n4)CC3)n1)CCCC2 ZINC000823820163 606874698 /nfs/dbraw/zinc/87/46/98/606874698.db2.gz BGDCRABKFWZQQV-UHFFFAOYSA-N -1 1 393.455 1.728 20 0 GDADMM O[C@@H](C[C@@H]1COCCN1c1snc(Cl)c1-c1nnn[n-]1)c1ccco1 ZINC000823673172 606878945 /nfs/dbraw/zinc/87/89/45/606878945.db2.gz JXPHBNDVBXBFHO-BDAKNGLRSA-N -1 1 382.833 1.899 20 0 GDADMM O[C@@H](C[C@@H]1COCCN1c1snc(Cl)c1-c1nn[n-]n1)c1ccco1 ZINC000823673172 606878946 /nfs/dbraw/zinc/87/89/46/606878946.db2.gz JXPHBNDVBXBFHO-BDAKNGLRSA-N -1 1 382.833 1.899 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000823600627 607006486 /nfs/dbraw/zinc/00/64/86/607006486.db2.gz JGSWVCFPNKZCRA-BZNIZROVSA-N -1 1 397.888 1.836 20 0 GDADMM CCc1nnc(Sc2nnc(-c3ccoc3C)n2N)c(-c2nn[n-]n2)c1CC ZINC000821548292 607027938 /nfs/dbraw/zinc/02/79/38/607027938.db2.gz KDTUKMNVAVVTCW-UHFFFAOYSA-N -1 1 398.456 1.806 20 0 GDADMM Cc1cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)ccc1Cl ZINC000822167356 607048269 /nfs/dbraw/zinc/04/82/69/607048269.db2.gz CUGZUXNQQQYYBU-LBPRGKRZSA-N -1 1 398.858 1.969 20 0 GDADMM Cc1cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)ccc1Cl ZINC000822167356 607048271 /nfs/dbraw/zinc/04/82/71/607048271.db2.gz CUGZUXNQQQYYBU-LBPRGKRZSA-N -1 1 398.858 1.969 20 0 GDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC000823380182 607108509 /nfs/dbraw/zinc/10/85/09/607108509.db2.gz RUJNVXPKMNSKEL-GFCCVEGCSA-N -1 1 395.448 1.804 20 0 GDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC000823380182 607108510 /nfs/dbraw/zinc/10/85/10/607108510.db2.gz RUJNVXPKMNSKEL-GFCCVEGCSA-N -1 1 395.448 1.804 20 0 GDADMM C[C@@]1(c2ccccc2)CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC000820637488 607126939 /nfs/dbraw/zinc/12/69/39/607126939.db2.gz YBIDXYWHSBMLAH-KRWDZBQOSA-N -1 1 386.437 1.198 20 0 GDADMM C[C@@]1(c2ccccc2)CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC000820637488 607126940 /nfs/dbraw/zinc/12/69/40/607126940.db2.gz YBIDXYWHSBMLAH-KRWDZBQOSA-N -1 1 386.437 1.198 20 0 GDADMM COCCC(=O)N1CCC(Nc2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000821685513 607129987 /nfs/dbraw/zinc/12/99/87/607129987.db2.gz GUBRWYASSMBMSB-UHFFFAOYSA-N -1 1 382.428 1.249 20 0 GDADMM COCCC(=O)N1CCC(Nc2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000821685513 607129988 /nfs/dbraw/zinc/12/99/88/607129988.db2.gz GUBRWYASSMBMSB-UHFFFAOYSA-N -1 1 382.428 1.249 20 0 GDADMM O=C(COC(=O)[C@H]1CC12CCC2)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000823017824 607135534 /nfs/dbraw/zinc/13/55/34/607135534.db2.gz CRBCEBGRAGJENR-CQSZACIVSA-N -1 1 393.407 1.724 20 0 GDADMM O=C(COC(=O)[C@H]1CC12CCC2)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000823017824 607135535 /nfs/dbraw/zinc/13/55/35/607135535.db2.gz CRBCEBGRAGJENR-CQSZACIVSA-N -1 1 393.407 1.724 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(C)[C@H](C)C(=O)OC(C)C ZINC000822006218 607137691 /nfs/dbraw/zinc/13/76/91/607137691.db2.gz ZEKVMQOHOQZVNM-GFCCVEGCSA-N -1 1 390.444 1.315 20 0 GDADMM Cc1cc(C[C@H](C)NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)[nH]n1 ZINC000822199695 607167619 /nfs/dbraw/zinc/16/76/19/607167619.db2.gz DUFBCUIJLCTDAF-JTQLQIEISA-N -1 1 380.412 1.951 20 0 GDADMM CC[C@@H](C[C@@H](C)CO)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000820881957 607186973 /nfs/dbraw/zinc/18/69/73/607186973.db2.gz GIFVOLQGNXVHNV-MFKMUULPSA-N -1 1 376.461 1.430 20 0 GDADMM CN(C)c1ccc(C(F)(F)F)cc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821589302 607206306 /nfs/dbraw/zinc/20/63/06/607206306.db2.gz HOSRZOKGSBPAMP-UHFFFAOYSA-N -1 1 381.322 1.182 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000823131892 607206693 /nfs/dbraw/zinc/20/66/93/607206693.db2.gz PINXIUUBIPKZCS-UHFFFAOYSA-N -1 1 386.379 1.640 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1ccccc1Oc1ccccc1 ZINC000823131921 607211713 /nfs/dbraw/zinc/21/17/13/607211713.db2.gz QVIXBAFJWMILOX-UHFFFAOYSA-N -1 1 376.380 1.567 20 0 GDADMM CC(C)(C)OC(=O)Nc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000819945959 607213698 /nfs/dbraw/zinc/21/36/98/607213698.db2.gz IMJRFSMBLRTSCU-UHFFFAOYSA-N -1 1 385.388 1.444 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H](Cc1ccccc1)c1ccccc1F ZINC000823126020 607219182 /nfs/dbraw/zinc/21/91/82/607219182.db2.gz FMPNSSQAHZWQEL-MRXNPFEDSA-N -1 1 392.398 1.698 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000823127126 607222565 /nfs/dbraw/zinc/22/25/65/607222565.db2.gz UEZUUQBTQDBXKL-OFAQMXQXSA-N -1 1 378.440 1.943 20 0 GDADMM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822207438 607223104 /nfs/dbraw/zinc/22/31/04/607223104.db2.gz WGOWOBGHIZNSPX-ZDUSSCGKSA-N -1 1 381.444 1.784 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)N2CCn3c(C)nnc3C2)c1-c1nn[n-]n1 ZINC000821989945 607237347 /nfs/dbraw/zinc/23/73/47/607237347.db2.gz OHIQYVVOOKBJNC-UHFFFAOYSA-N -1 1 397.468 1.417 20 0 GDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)Cc1ccc(OCc2ccccn2)cc1 ZINC000826394958 607781232 /nfs/dbraw/zinc/78/12/32/607781232.db2.gz GLNPIQANMDBXJV-UHFFFAOYSA-N -1 1 376.380 1.502 20 0 GDADMM CO[C@@H]1CC[C@H]2OCCN(CC(=O)Nc3oc(C)c(C)c3-c3nn[n-]n3)[C@@H]2C1 ZINC000826146533 607859037 /nfs/dbraw/zinc/85/90/37/607859037.db2.gz XKAFPMJTQAXFQS-MGPQQGTHSA-N -1 1 390.444 1.283 20 0 GDADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)NC[C@@H]1COc2ccccc2O1 ZINC000826418720 607866524 /nfs/dbraw/zinc/86/65/24/607866524.db2.gz TWFDSYUZSSJNSO-LLVKDONJSA-N -1 1 385.355 1.341 20 0 GDADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)NC[C@@H]1COc2ccccc2O1 ZINC000826418720 607866525 /nfs/dbraw/zinc/86/65/25/607866525.db2.gz TWFDSYUZSSJNSO-LLVKDONJSA-N -1 1 385.355 1.341 20 0 GDADMM O=S(=O)(Oc1cccc(F)c1-c1nnn[n-]1)c1ccc2c(c1)OCCCO2 ZINC000826493591 607868131 /nfs/dbraw/zinc/86/81/31/607868131.db2.gz SFTNYDIJZUTCQQ-UHFFFAOYSA-N -1 1 392.368 1.935 20 0 GDADMM O=S(=O)(Oc1cccc(F)c1-c1nn[n-]n1)c1ccc2c(c1)OCCCO2 ZINC000826493591 607868132 /nfs/dbraw/zinc/86/81/32/607868132.db2.gz SFTNYDIJZUTCQQ-UHFFFAOYSA-N -1 1 392.368 1.935 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CC[C@H](C3CCOCC3)C2)cc1-c1nn[n-]n1 ZINC000826229851 607875608 /nfs/dbraw/zinc/87/56/08/607875608.db2.gz UGFUFMHKZHVEDS-NSHDSACASA-N -1 1 390.469 1.578 20 0 GDADMM COCC(C)(C)C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000826147821 607882107 /nfs/dbraw/zinc/88/21/07/607882107.db2.gz MVFWBDKYVHVSAP-UHFFFAOYSA-N -1 1 375.433 1.053 20 0 GDADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCc2ccc(-c3nn[nH]n3)cc21 ZINC000825668573 607950665 /nfs/dbraw/zinc/95/06/65/607950665.db2.gz GWRMKOZHCMAVMO-UHFFFAOYSA-N -1 1 398.448 1.831 20 0 GDADMM C[C@H](CC(=O)c1cccs1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824393314 607971686 /nfs/dbraw/zinc/97/16/86/607971686.db2.gz RZJIYDIZVWZYTP-SECBINFHSA-N -1 1 378.439 1.263 20 0 GDADMM C[C@H](CC(=O)c1cccs1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824393314 607971687 /nfs/dbraw/zinc/97/16/87/607971687.db2.gz RZJIYDIZVWZYTP-SECBINFHSA-N -1 1 378.439 1.263 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000826451014 607998982 /nfs/dbraw/zinc/99/89/82/607998982.db2.gz MEUMMLWWUVZZPY-ZDUSSCGKSA-N -1 1 388.453 1.603 20 0 GDADMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000826424900 608013849 /nfs/dbraw/zinc/01/38/49/608013849.db2.gz HVJIXZVTRVHQFD-UHFFFAOYSA-N -1 1 388.391 1.954 20 0 GDADMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000826424900 608013850 /nfs/dbraw/zinc/01/38/50/608013850.db2.gz HVJIXZVTRVHQFD-UHFFFAOYSA-N -1 1 388.391 1.954 20 0 GDADMM CCOC(=O)C[C@H](C)CNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000825499655 608026931 /nfs/dbraw/zinc/02/69/31/608026931.db2.gz QFFGNNSSZGMFGB-JTQLQIEISA-N -1 1 390.444 1.222 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCOC[C@@H]1C1CC1 ZINC000826328079 608040581 /nfs/dbraw/zinc/04/05/81/608040581.db2.gz FUZBQAVMNUVSBA-MRXNPFEDSA-N -1 1 396.455 1.096 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCOC[C@@H]1C1CC1 ZINC000826328079 608040582 /nfs/dbraw/zinc/04/05/82/608040582.db2.gz FUZBQAVMNUVSBA-MRXNPFEDSA-N -1 1 396.455 1.096 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@@](C)(O)C(F)(F)F ZINC000826341045 608042088 /nfs/dbraw/zinc/04/20/88/608042088.db2.gz UPIWKYPTHHECFV-CQSZACIVSA-N -1 1 384.318 1.602 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@@](C)(O)C(F)(F)F ZINC000826341045 608042089 /nfs/dbraw/zinc/04/20/89/608042089.db2.gz UPIWKYPTHHECFV-CQSZACIVSA-N -1 1 384.318 1.602 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2csc(CCc3ccccc3)n2)c1=O ZINC000826356688 608095999 /nfs/dbraw/zinc/09/59/99/608095999.db2.gz AXUMPSDMWGCSAQ-UHFFFAOYSA-N -1 1 395.448 1.017 20 0 GDADMM COc1ccc(C[C@@H](C)CNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1OC ZINC000826191242 608103546 /nfs/dbraw/zinc/10/35/46/608103546.db2.gz ARGIVVSASHTGLG-GFCCVEGCSA-N -1 1 382.424 1.888 20 0 GDADMM COc1ccc(C[C@@H](C)CNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1OC ZINC000826191242 608103547 /nfs/dbraw/zinc/10/35/47/608103547.db2.gz ARGIVVSASHTGLG-GFCCVEGCSA-N -1 1 382.424 1.888 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CCCN(c3ccccc3F)C2)n1 ZINC000826357257 608106777 /nfs/dbraw/zinc/10/67/77/608106777.db2.gz XVPCMUURFMPFRA-LLVKDONJSA-N -1 1 385.407 1.530 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CCCN(c3ccccc3F)C2)n1 ZINC000826357257 608106778 /nfs/dbraw/zinc/10/67/78/608106778.db2.gz XVPCMUURFMPFRA-LLVKDONJSA-N -1 1 385.407 1.530 20 0 GDADMM CCN(CC(C)(C)O)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825399018 608111218 /nfs/dbraw/zinc/11/12/18/608111218.db2.gz FLJRNZSLKLRTQA-UHFFFAOYSA-N -1 1 393.391 1.667 20 0 GDADMM CC(C)(C)[C@H]1C[C@@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC000824077290 608111357 /nfs/dbraw/zinc/11/13/57/608111357.db2.gz AIOOWOAWIZLNSV-GXFFZTMASA-N -1 1 383.449 1.878 20 0 GDADMM CC(C)(C)[C@H]1C[C@@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC000824077290 608111358 /nfs/dbraw/zinc/11/13/58/608111358.db2.gz AIOOWOAWIZLNSV-GXFFZTMASA-N -1 1 383.449 1.878 20 0 GDADMM C[C@@H](CN(C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1nccs1 ZINC000824413397 608127018 /nfs/dbraw/zinc/12/70/18/608127018.db2.gz LNSKZJBEANFUMP-VIFPVBQESA-N -1 1 382.446 1.887 20 0 GDADMM C[C@@H](CN(C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1nccs1 ZINC000824413397 608127019 /nfs/dbraw/zinc/12/70/19/608127019.db2.gz LNSKZJBEANFUMP-VIFPVBQESA-N -1 1 382.446 1.887 20 0 GDADMM C[C@]1(NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCO[C@H]1C1CC1 ZINC000824838245 608128100 /nfs/dbraw/zinc/12/81/00/608128100.db2.gz NNEDXXNESHMKPO-ZFWWWQNUSA-N -1 1 383.861 1.756 20 0 GDADMM C[C@]1(NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCO[C@H]1C1CC1 ZINC000824838245 608128101 /nfs/dbraw/zinc/12/81/01/608128101.db2.gz NNEDXXNESHMKPO-ZFWWWQNUSA-N -1 1 383.861 1.756 20 0 GDADMM CN(CCc1cnccn1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825950745 608155552 /nfs/dbraw/zinc/15/55/52/608155552.db2.gz TZYVTMDZTLRTRH-UHFFFAOYSA-N -1 1 379.833 1.173 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCN2C(=O)OCC[C@@H]2C1 ZINC000826341144 608158498 /nfs/dbraw/zinc/15/84/98/608158498.db2.gz YAIBUMTWMLMQON-GFCCVEGCSA-N -1 1 397.395 1.226 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCN2C(=O)OCC[C@@H]2C1 ZINC000826341144 608158500 /nfs/dbraw/zinc/15/85/00/608158500.db2.gz YAIBUMTWMLMQON-GFCCVEGCSA-N -1 1 397.395 1.226 20 0 GDADMM CC[C@]1(C)COCCN1C(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000825165329 608167447 /nfs/dbraw/zinc/16/74/47/608167447.db2.gz YSHKSIWJIVCIMV-LJQANCHMSA-N -1 1 398.471 1.486 20 0 GDADMM CC[C@]1(C)COCCN1C(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000825165329 608167448 /nfs/dbraw/zinc/16/74/48/608167448.db2.gz YSHKSIWJIVCIMV-LJQANCHMSA-N -1 1 398.471 1.486 20 0 GDADMM Clc1nsc(Nc2cnn(CCN3CCOCC3)c2)c1-c1nn[n-]n1 ZINC000826354790 608182717 /nfs/dbraw/zinc/18/27/17/608182717.db2.gz VBYSYRGZOFWXHH-UHFFFAOYSA-N -1 1 381.853 1.249 20 0 GDADMM CCC1(CO)CCN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)CC1 ZINC000825170809 608209394 /nfs/dbraw/zinc/20/93/94/608209394.db2.gz HWHOWKBSSSUZKM-UHFFFAOYSA-N -1 1 378.458 1.314 20 0 GDADMM CC(C)Oc1ccccc1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824333150 608212380 /nfs/dbraw/zinc/21/23/80/608212380.db2.gz FNYJOLJFSYGICV-UHFFFAOYSA-N -1 1 384.444 1.664 20 0 GDADMM CC(C)Oc1ccccc1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824333150 608212381 /nfs/dbraw/zinc/21/23/81/608212381.db2.gz FNYJOLJFSYGICV-UHFFFAOYSA-N -1 1 384.444 1.664 20 0 GDADMM C[C@@H]1CCCC[C@H]1OCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824936041 608212810 /nfs/dbraw/zinc/21/28/10/608212810.db2.gz DOVJQBBOMMCPJS-DGCLKSJQSA-N -1 1 376.465 1.158 20 0 GDADMM C[C@@H]1CCCC[C@H]1OCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824936041 608212812 /nfs/dbraw/zinc/21/28/12/608212812.db2.gz DOVJQBBOMMCPJS-DGCLKSJQSA-N -1 1 376.465 1.158 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1CCO[C@H](C(C)C)C1 ZINC000826232921 608249881 /nfs/dbraw/zinc/24/98/81/608249881.db2.gz NFGXBOIMQVSBPC-HIFRSBDPSA-N -1 1 388.472 1.837 20 0 GDADMM Cc1nnc(COC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)s1 ZINC000826335308 608317413 /nfs/dbraw/zinc/31/74/13/608317413.db2.gz IJJMYXSXAQPYNY-UHFFFAOYSA-N -1 1 375.414 1.420 20 0 GDADMM COC(=O)C1([N-]S(=O)(=O)Cc2cc(-c3nn[nH]n3)ccc2F)CCCCC1 ZINC000826123810 608327163 /nfs/dbraw/zinc/32/71/63/608327163.db2.gz LAICMDHWBGLLQI-UHFFFAOYSA-N -1 1 397.432 1.301 20 0 GDADMM CC(C)CN(CC(C)C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824255724 608340211 /nfs/dbraw/zinc/34/02/11/608340211.db2.gz VBGJAUCIYXIGTK-UHFFFAOYSA-N -1 1 390.492 1.897 20 0 GDADMM CC(C)CN(CC(C)C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824255724 608340213 /nfs/dbraw/zinc/34/02/13/608340213.db2.gz VBGJAUCIYXIGTK-UHFFFAOYSA-N -1 1 390.492 1.897 20 0 GDADMM CCC1CCC(NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CC1 ZINC000825195924 608341787 /nfs/dbraw/zinc/34/17/87/608341787.db2.gz ZUNVTPIJCBLTQO-UHFFFAOYSA-N -1 1 388.476 1.842 20 0 GDADMM CCC1CCC(NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CC1 ZINC000825195924 608341789 /nfs/dbraw/zinc/34/17/89/608341789.db2.gz ZUNVTPIJCBLTQO-UHFFFAOYSA-N -1 1 388.476 1.842 20 0 GDADMM C[C@]1(O)CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C1 ZINC000824843682 608343687 /nfs/dbraw/zinc/34/36/87/608343687.db2.gz JPPMZDGZGJNIAF-ZDUSSCGKSA-N -1 1 391.375 1.421 20 0 GDADMM CC(C)(C)c1cc(NC(=O)C[C@H]2CCS(=O)(=O)C2)c(-c2nnn[n-]2)s1 ZINC000824130176 608346216 /nfs/dbraw/zinc/34/62/16/608346216.db2.gz IOPYDVNDWFJJDN-SECBINFHSA-N -1 1 383.499 1.989 20 0 GDADMM CC(C)(C)c1cc(NC(=O)C[C@H]2CCS(=O)(=O)C2)c(-c2nn[n-]n2)s1 ZINC000824130176 608346218 /nfs/dbraw/zinc/34/62/18/608346218.db2.gz IOPYDVNDWFJJDN-SECBINFHSA-N -1 1 383.499 1.989 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N2Cc3ccccc3C2)n1 ZINC000824141489 608350884 /nfs/dbraw/zinc/35/08/84/608350884.db2.gz IAWXUMICRXNPLU-UHFFFAOYSA-N -1 1 380.412 1.299 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N2Cc3ccccc3C2)n1 ZINC000824141489 608350886 /nfs/dbraw/zinc/35/08/86/608350886.db2.gz IAWXUMICRXNPLU-UHFFFAOYSA-N -1 1 380.412 1.299 20 0 GDADMM CC[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CCS1 ZINC000825203659 608354510 /nfs/dbraw/zinc/35/45/10/608354510.db2.gz NXHBXKLBDYNNFW-SNVBAGLBSA-N -1 1 392.489 1.111 20 0 GDADMM CC[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CCS1 ZINC000825203659 608354512 /nfs/dbraw/zinc/35/45/12/608354512.db2.gz NXHBXKLBDYNNFW-SNVBAGLBSA-N -1 1 392.489 1.111 20 0 GDADMM CC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccccc1OCC(=O)N(C)C ZINC000825148590 608429159 /nfs/dbraw/zinc/42/91/59/608429159.db2.gz REPYWKMEWHKOEV-ZDUSSCGKSA-N -1 1 382.428 1.687 20 0 GDADMM CC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccccc1OCC(=O)N(C)C ZINC000825148590 608429161 /nfs/dbraw/zinc/42/91/61/608429161.db2.gz REPYWKMEWHKOEV-ZDUSSCGKSA-N -1 1 382.428 1.687 20 0 GDADMM CN1CCO[C@H]([C@@H](Nc2ccc(-c3nn[n-]n3)nn2)c2ccc(Cl)cc2)C1 ZINC000826044712 608440568 /nfs/dbraw/zinc/44/05/68/608440568.db2.gz JOBMMMWOJZNOJM-HOCLYGCPSA-N -1 1 386.847 1.794 20 0 GDADMM CCN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc(-c2nnn[n-]2)o1 ZINC000825394369 608498350 /nfs/dbraw/zinc/49/83/50/608498350.db2.gz ATAAAHUYSWHUCT-UHFFFAOYSA-N -1 1 384.396 1.692 20 0 GDADMM CCN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc(-c2nn[n-]n2)o1 ZINC000825394369 608498351 /nfs/dbraw/zinc/49/83/51/608498351.db2.gz ATAAAHUYSWHUCT-UHFFFAOYSA-N -1 1 384.396 1.692 20 0 GDADMM CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000824235454 608531258 /nfs/dbraw/zinc/53/12/58/608531258.db2.gz HRQBGMSQAPCFQE-AWEZNQCLSA-N -1 1 398.427 1.627 20 0 GDADMM COC(=O)[C@@H](C)NC(=O)c1ccc(F)cc1NCc1ccnc(-c2nnn[n-]2)c1 ZINC000826104335 608542329 /nfs/dbraw/zinc/54/23/29/608542329.db2.gz URZTYFHHFFOUCN-SNVBAGLBSA-N -1 1 399.386 1.304 20 0 GDADMM COC(=O)[C@@H](C)NC(=O)c1ccc(F)cc1NCc1ccnc(-c2nn[n-]n2)c1 ZINC000826104335 608542331 /nfs/dbraw/zinc/54/23/31/608542331.db2.gz URZTYFHHFFOUCN-SNVBAGLBSA-N -1 1 399.386 1.304 20 0 GDADMM CO[C@H]1CCC[C@H]1CNC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000826146369 608547266 /nfs/dbraw/zinc/54/72/66/608547266.db2.gz UPWNXASLKPYSAG-BBRMVZONSA-N -1 1 398.471 1.390 20 0 GDADMM CO[C@H]1CCC[C@H]1CNC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000826146369 608547267 /nfs/dbraw/zinc/54/72/67/608547267.db2.gz UPWNXASLKPYSAG-BBRMVZONSA-N -1 1 398.471 1.390 20 0 GDADMM CCOc1ccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000825643941 608548549 /nfs/dbraw/zinc/54/85/49/608548549.db2.gz XNXILYNIBPMQSQ-UHFFFAOYSA-N -1 1 385.432 1.667 20 0 GDADMM CCOc1ccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000825643941 608548552 /nfs/dbraw/zinc/54/85/52/608548552.db2.gz XNXILYNIBPMQSQ-UHFFFAOYSA-N -1 1 385.432 1.667 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C1(Cc2ccccc2)CC1 ZINC000825923599 608555182 /nfs/dbraw/zinc/55/51/82/608555182.db2.gz NVLXOKXPYZQVSF-UHFFFAOYSA-N -1 1 380.456 1.586 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C1(Cc2ccccc2)CC1 ZINC000825923599 608555183 /nfs/dbraw/zinc/55/51/83/608555183.db2.gz NVLXOKXPYZQVSF-UHFFFAOYSA-N -1 1 380.456 1.586 20 0 GDADMM Cc1nc(C(C)C)sc1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826323982 608557219 /nfs/dbraw/zinc/55/72/19/608557219.db2.gz ZZFRAWCQJKQUCO-UHFFFAOYSA-N -1 1 389.489 1.765 20 0 GDADMM Cc1nc(C(C)C)sc1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826323982 608557221 /nfs/dbraw/zinc/55/72/21/608557221.db2.gz ZZFRAWCQJKQUCO-UHFFFAOYSA-N -1 1 389.489 1.765 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CCc1ccc(F)cc1F ZINC000825923848 608557805 /nfs/dbraw/zinc/55/78/05/608557805.db2.gz YRXQSKKJVQZFJT-UHFFFAOYSA-N -1 1 390.398 1.474 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CCc1ccc(F)cc1F ZINC000825923848 608557807 /nfs/dbraw/zinc/55/78/07/608557807.db2.gz YRXQSKKJVQZFJT-UHFFFAOYSA-N -1 1 390.398 1.474 20 0 GDADMM Cc1nc(Cl)ccc1CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826326555 608558623 /nfs/dbraw/zinc/55/86/23/608558623.db2.gz VDBKSEPICIYNQN-UHFFFAOYSA-N -1 1 389.851 1.163 20 0 GDADMM Cc1nc(Cl)ccc1CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826326555 608558624 /nfs/dbraw/zinc/55/86/24/608558624.db2.gz VDBKSEPICIYNQN-UHFFFAOYSA-N -1 1 389.851 1.163 20 0 GDADMM COC(=O)CN(Cc1cc(OC)cc(OC)c1)c1cccc(-c2nnn[n-]2)n1 ZINC000826138567 608584454 /nfs/dbraw/zinc/58/44/54/608584454.db2.gz ZWIICNSSHLPEMD-UHFFFAOYSA-N -1 1 384.396 1.459 20 0 GDADMM COC(=O)CN(Cc1cc(OC)cc(OC)c1)c1cccc(-c2nn[n-]n2)n1 ZINC000826138567 608584456 /nfs/dbraw/zinc/58/44/56/608584456.db2.gz ZWIICNSSHLPEMD-UHFFFAOYSA-N -1 1 384.396 1.459 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N[C@H]1CCC(C)(C)C1 ZINC000825000335 608587997 /nfs/dbraw/zinc/58/79/97/608587997.db2.gz OOHUSEGMGBLVFY-STQMWFEESA-N -1 1 385.476 1.456 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N[C@H]1CCC(C)(C)C1 ZINC000825000335 608587998 /nfs/dbraw/zinc/58/79/98/608587998.db2.gz OOHUSEGMGBLVFY-STQMWFEESA-N -1 1 385.476 1.456 20 0 GDADMM CCCn1cc(CN2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)cn1 ZINC000825363121 608589547 /nfs/dbraw/zinc/58/95/47/608589547.db2.gz UMWBUOLMPXKCTR-UHFFFAOYSA-N -1 1 383.460 1.661 20 0 GDADMM Cc1nn(-c2ccccc2)c(C)c1CNC(=O)Cn1ccnc1-c1nnn[n-]1 ZINC000826332439 608894841 /nfs/dbraw/zinc/89/48/41/608894841.db2.gz UMLWUARKYOSEEL-UHFFFAOYSA-N -1 1 377.412 1.182 20 0 GDADMM Cc1nn(-c2ccccc2)c(C)c1CNC(=O)Cn1ccnc1-c1nn[n-]n1 ZINC000826332439 608894843 /nfs/dbraw/zinc/89/48/43/608894843.db2.gz UMLWUARKYOSEEL-UHFFFAOYSA-N -1 1 377.412 1.182 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1cccc(F)c1F ZINC000825929820 609156699 /nfs/dbraw/zinc/15/66/99/609156699.db2.gz KLZYBMHKQRURSD-UHFFFAOYSA-N -1 1 377.359 1.547 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1cccc(F)c1F ZINC000825929820 609156701 /nfs/dbraw/zinc/15/67/01/609156701.db2.gz KLZYBMHKQRURSD-UHFFFAOYSA-N -1 1 377.359 1.547 20 0 GDADMM COc1ccc(F)cc1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826209264 609163022 /nfs/dbraw/zinc/16/30/22/609163022.db2.gz UKBINMOVUXSASQ-UHFFFAOYSA-N -1 1 389.395 1.416 20 0 GDADMM COc1ccc(F)cc1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826209264 609163024 /nfs/dbraw/zinc/16/30/24/609163024.db2.gz UKBINMOVUXSASQ-UHFFFAOYSA-N -1 1 389.395 1.416 20 0 GDADMM O=C(c1cccc(O)c1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000826474392 609197115 /nfs/dbraw/zinc/19/71/15/609197115.db2.gz NSNUVSTUDSXXKW-UHFFFAOYSA-N -1 1 381.396 1.400 20 0 GDADMM Cc1cnn(CCC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)c1 ZINC000826320083 609287830 /nfs/dbraw/zinc/28/78/30/609287830.db2.gz GCYYSLBJWURGES-UHFFFAOYSA-N -1 1 381.375 1.725 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCCCc1ccccc1 ZINC000825929554 609299081 /nfs/dbraw/zinc/29/90/81/609299081.db2.gz HWFPMEFLZPXJBS-UHFFFAOYSA-N -1 1 383.460 1.379 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCCCc1ccccc1 ZINC000825929554 609299083 /nfs/dbraw/zinc/29/90/83/609299083.db2.gz HWFPMEFLZPXJBS-UHFFFAOYSA-N -1 1 383.460 1.379 20 0 GDADMM COc1cccc([C@H](C)NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000826214253 609300864 /nfs/dbraw/zinc/30/08/64/609300864.db2.gz GBUSDFQHNQUGBC-NSHDSACASA-N -1 1 399.459 1.516 20 0 GDADMM COc1cccc([C@H](C)NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000826214253 609300866 /nfs/dbraw/zinc/30/08/66/609300866.db2.gz GBUSDFQHNQUGBC-NSHDSACASA-N -1 1 399.459 1.516 20 0 GDADMM C[C@H]1CCCC[C@@H]1CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824936758 609302285 /nfs/dbraw/zinc/30/22/85/609302285.db2.gz LTXAVOQTBRQLOL-QWHCGFSZSA-N -1 1 389.508 1.962 20 0 GDADMM C[C@H]1CCCC[C@@H]1CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824936758 609302286 /nfs/dbraw/zinc/30/22/86/609302286.db2.gz LTXAVOQTBRQLOL-QWHCGFSZSA-N -1 1 389.508 1.962 20 0 GDADMM CCSCC[C@H](C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825673766 609303949 /nfs/dbraw/zinc/30/39/49/609303949.db2.gz BGAMHSOYBIZVSX-JTQLQIEISA-N -1 1 381.510 1.278 20 0 GDADMM CCSCC[C@H](C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825673766 609303950 /nfs/dbraw/zinc/30/39/50/609303950.db2.gz BGAMHSOYBIZVSX-JTQLQIEISA-N -1 1 381.510 1.278 20 0 GDADMM CS[C@@H]1CC[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1 ZINC000826226776 609304534 /nfs/dbraw/zinc/30/45/34/609304534.db2.gz GEVQWERWISZVJY-NXEZZACHSA-N -1 1 379.494 1.030 20 0 GDADMM CS[C@@H]1CC[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C1 ZINC000826226776 609304536 /nfs/dbraw/zinc/30/45/36/609304536.db2.gz GEVQWERWISZVJY-NXEZZACHSA-N -1 1 379.494 1.030 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCc3ccc(C(C)(C)C)cc3C2)n(C)c1=O ZINC000826355756 609312475 /nfs/dbraw/zinc/31/24/75/609312475.db2.gz MDWLHPFJYHYHAY-UHFFFAOYSA-N -1 1 395.467 1.124 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2CC=C(c3ccc(F)cc3)CC2)n(C)c1=O ZINC000826355948 609321168 /nfs/dbraw/zinc/32/11/68/609321168.db2.gz UQHZGEQAKUHDMY-CQSZACIVSA-N -1 1 397.414 1.451 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1CC(C)(C)OC1(C)C ZINC000826232819 609324722 /nfs/dbraw/zinc/32/47/22/609324722.db2.gz JUXSKCDBXVPNBL-CYBMUJFWSA-N -1 1 388.472 1.979 20 0 GDADMM CC(C)(C)CNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824087391 609355526 /nfs/dbraw/zinc/35/55/26/609355526.db2.gz UNOPERCRBHVEAH-UHFFFAOYSA-N -1 1 386.391 1.292 20 0 GDADMM CC(C)(C)[C@@H](CO)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824071571 609359741 /nfs/dbraw/zinc/35/97/41/609359741.db2.gz JUJMIBACKHDLKL-GFCCVEGCSA-N -1 1 388.407 1.720 20 0 GDADMM C[C@@H]1OCCN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)[C@H]1C ZINC000825020917 609360436 /nfs/dbraw/zinc/36/04/36/609360436.db2.gz NKRBGUIDZFIMLI-QWRGUYRKSA-N -1 1 386.391 1.833 20 0 GDADMM Cn1cc(CNC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cn1 ZINC000826361494 609361650 /nfs/dbraw/zinc/36/16/50/609361650.db2.gz ZFWASICHQCEOTH-UHFFFAOYSA-N -1 1 382.363 1.247 20 0 GDADMM CC1(C)CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1 ZINC000824807766 609366041 /nfs/dbraw/zinc/36/60/41/609366041.db2.gz MZVIWVIWXAJESJ-UHFFFAOYSA-N -1 1 398.402 1.389 20 0 GDADMM C[C@@H]1CCN(CC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)C[C@@H]1F ZINC000824954494 609373854 /nfs/dbraw/zinc/37/38/54/609373854.db2.gz KNWALAXUGLLVSR-DOMZBBRYSA-N -1 1 384.419 1.671 20 0 GDADMM C[C@@H]1CCN(CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)C[C@@H]1F ZINC000824954494 609373856 /nfs/dbraw/zinc/37/38/56/609373856.db2.gz KNWALAXUGLLVSR-DOMZBBRYSA-N -1 1 384.419 1.671 20 0 GDADMM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000824505757 609456667 /nfs/dbraw/zinc/45/66/67/609456667.db2.gz HZVAAMAUZOCCKL-AAEUAGOBSA-N -1 1 387.444 1.637 20 0 GDADMM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000824505757 609456668 /nfs/dbraw/zinc/45/66/68/609456668.db2.gz HZVAAMAUZOCCKL-AAEUAGOBSA-N -1 1 387.444 1.637 20 0 GDADMM COc1cccc(-c2cc(NC(=O)Cc3noc(C)c3-c3nnn[n-]3)n(C)n2)c1 ZINC000826213603 609468288 /nfs/dbraw/zinc/46/82/88/609468288.db2.gz DKEGKULOSPFTSM-UHFFFAOYSA-N -1 1 394.395 1.753 20 0 GDADMM COc1cccc(-c2cc(NC(=O)Cc3noc(C)c3-c3nn[n-]n3)n(C)n2)c1 ZINC000826213603 609468289 /nfs/dbraw/zinc/46/82/89/609468289.db2.gz DKEGKULOSPFTSM-UHFFFAOYSA-N -1 1 394.395 1.753 20 0 GDADMM Cc1onc(CC(=O)NC[C@H](O)c2ccc(Cl)c(F)c2)c1-c1nnn[n-]1 ZINC000826347222 609469696 /nfs/dbraw/zinc/46/96/96/609469696.db2.gz JAGGFAVCNKWTDE-LBPRGKRZSA-N -1 1 380.767 1.348 20 0 GDADMM Cc1onc(CC(=O)NC[C@H](O)c2ccc(Cl)c(F)c2)c1-c1nn[n-]n1 ZINC000826347222 609469701 /nfs/dbraw/zinc/46/97/01/609469701.db2.gz JAGGFAVCNKWTDE-LBPRGKRZSA-N -1 1 380.767 1.348 20 0 GDADMM C[C@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)c1ccccc1 ZINC000825000567 609505647 /nfs/dbraw/zinc/50/56/47/609505647.db2.gz SMQGVVBLXKGTKC-KBPBESRZSA-N -1 1 378.440 1.498 20 0 GDADMM C[C@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)c1ccccc1 ZINC000825000567 609505649 /nfs/dbraw/zinc/50/56/49/609505649.db2.gz SMQGVVBLXKGTKC-KBPBESRZSA-N -1 1 378.440 1.498 20 0 GDADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)CC(F)F)c(OC)c1 ZINC000534136415 650218924 /nfs/dbraw/zinc/21/89/24/650218924.db2.gz JXAIKPVLDHCDRH-UHFFFAOYSA-N -1 1 386.442 1.733 20 0 GDADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@@H]2C[C@@H]2C)c(OC)c1 ZINC000534144143 650219344 /nfs/dbraw/zinc/21/93/44/650219344.db2.gz ATEHWMWCYYKQOX-RYUDHWBXSA-N -1 1 376.500 1.781 20 0 GDADMM C[N-]S(=O)(=O)c1cc(C(=O)NCC(=O)Nc2ccc(C)cc2Cl)co1 ZINC000535163452 650243653 /nfs/dbraw/zinc/24/36/53/650243653.db2.gz WJHZFHXREUDDGA-UHFFFAOYSA-N -1 1 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HCEZDSISUOESDB-MRXNPFEDSA-N -1 1 385.457 1.386 20 0 GDADMM O=C(NC[C@@H]1CCCCCN1c1ccnc(-c2nn[n-]n2)n1)c1cncs1 ZINC001571263145 945452159 /nfs/dbraw/zinc/45/21/59/945452159.db2.gz IRWGEDWVJVNQGV-NSHDSACASA-N -1 1 385.457 1.292 20 0 GDADMM Cc1nsc(N2CC[C@H](NC(=O)c3ccnnc3)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571263241 945453857 /nfs/dbraw/zinc/45/38/57/945453857.db2.gz KOSNQPUSMDWBKX-SKDRFNHKSA-N -1 1 385.457 1.209 20 0 GDADMM Cc1nscc1C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001571263408 945457221 /nfs/dbraw/zinc/45/72/21/945457221.db2.gz PDVAUFGSTFEYAD-CABZTGNLSA-N -1 1 385.457 1.384 20 0 GDADMM Cc1nscc1C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001571263408 945457227 /nfs/dbraw/zinc/45/72/27/945457227.db2.gz PDVAUFGSTFEYAD-CABZTGNLSA-N -1 1 385.457 1.384 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H]([C@H](C)Nc3nccnc3-c3nnn[n-]3)C2)ns1 ZINC001571263691 945465580 /nfs/dbraw/zinc/46/55/80/945465580.db2.gz WWNRRVJCJUCSEK-QWRGUYRKSA-N -1 1 385.457 1.384 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H]([C@H](C)Nc3nccnc3-c3nn[n-]n3)C2)ns1 ZINC001571263691 945465590 /nfs/dbraw/zinc/46/55/90/945465590.db2.gz WWNRRVJCJUCSEK-QWRGUYRKSA-N -1 1 385.457 1.384 20 0 GDADMM Cc1nsc(N2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C2CC2)c1-c1nn[n-]n1 ZINC001571265303 945506599 /nfs/dbraw/zinc/50/65/99/945506599.db2.gz GUGQYWYKCXSKLK-DGAVXFQQSA-N -1 1 385.497 1.715 20 0 GDADMM O=C(N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cncc(Cl)c1 ZINC001571265548 945514727 /nfs/dbraw/zinc/51/47/27/945514727.db2.gz LKHHCHNSUKJZCQ-LBPRGKRZSA-N -1 1 385.819 1.104 20 0 GDADMM O=C(N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cncc(Cl)c1 ZINC001571265548 945514735 /nfs/dbraw/zinc/51/47/35/945514735.db2.gz LKHHCHNSUKJZCQ-LBPRGKRZSA-N -1 1 385.819 1.104 20 0 GDADMM CCCC(=O)N1CCCO[C@H](CNc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571266313 945535978 /nfs/dbraw/zinc/53/59/78/945535978.db2.gz ZCLXFESLRMBOAQ-SECBINFHSA-N -1 1 385.881 1.806 20 0 GDADMM C[C@@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)c1cccc(F)c1F ZINC001571266870 945553906 /nfs/dbraw/zinc/55/39/06/945553906.db2.gz ATKBTKJTCIMPOO-NXEZZACHSA-N -1 1 386.366 1.072 20 0 GDADMM O=C(c1cc(F)ccc1F)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571267105 945560940 /nfs/dbraw/zinc/56/09/40/945560940.db2.gz JGVLNGUKTOWUGI-LLVKDONJSA-N -1 1 386.366 1.074 20 0 GDADMM O=C(c1cc(F)ccc1F)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571267220 945564838 /nfs/dbraw/zinc/56/48/38/945564838.db2.gz MYARVXNGUXLQQQ-SNVBAGLBSA-N -1 1 386.366 1.509 20 0 GDADMM O=C(c1cc(F)ccc1F)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571267220 945564844 /nfs/dbraw/zinc/56/48/44/945564844.db2.gz MYARVXNGUXLQQQ-SNVBAGLBSA-N -1 1 386.366 1.509 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccc(C(F)F)cc1 ZINC001571267304 945567237 /nfs/dbraw/zinc/56/72/37/945567237.db2.gz PXPAMVYEKPBMPZ-TXEJJXNPSA-N -1 1 386.366 1.967 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccc(C(F)F)cc1 ZINC001571267304 945567243 /nfs/dbraw/zinc/56/72/43/945567243.db2.gz PXPAMVYEKPBMPZ-TXEJJXNPSA-N -1 1 386.366 1.967 20 0 GDADMM O=C(NCc1ccc(CNc2cncc(-c3nnn[n-]3)n2)cc1)[C@H]1CC1(F)F ZINC001571267316 945567581 /nfs/dbraw/zinc/56/75/81/945567581.db2.gz QFYFQPVUZYVHNZ-GFCCVEGCSA-N -1 1 386.366 1.540 20 0 GDADMM O=C(NCc1ccc(CNc2cncc(-c3nn[n-]n3)n2)cc1)[C@H]1CC1(F)F ZINC001571267316 945567591 /nfs/dbraw/zinc/56/75/91/945567591.db2.gz QFYFQPVUZYVHNZ-GFCCVEGCSA-N -1 1 386.366 1.540 20 0 GDADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@H]1CCN(C(=O)c2cccc(F)c2F)C1 ZINC001571267519 945571695 /nfs/dbraw/zinc/57/16/95/945571695.db2.gz XUWQAFRVENKWCE-JTQLQIEISA-N -1 1 386.366 1.286 20 0 GDADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@H]1CCN(C(=O)c2cccc(F)c2F)C1 ZINC001571267519 945571699 /nfs/dbraw/zinc/57/16/99/945571699.db2.gz XUWQAFRVENKWCE-JTQLQIEISA-N -1 1 386.366 1.286 20 0 GDADMM COc1csc(C(=O)N2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)[C@@H](C)C2)c1 ZINC001571269897 945627226 /nfs/dbraw/zinc/62/72/26/945627226.db2.gz HFCSVITXMAQSTC-CABZTGNLSA-N -1 1 386.441 1.299 20 0 GDADMM COc1csc(C(=O)N2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)[C@@H](C)C2)c1 ZINC001571269897 945627231 /nfs/dbraw/zinc/62/72/31/945627231.db2.gz HFCSVITXMAQSTC-CABZTGNLSA-N -1 1 386.441 1.299 20 0 GDADMM COc1csc(C(=O)N2C[C@@H](C)[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571269899 945627803 /nfs/dbraw/zinc/62/78/03/945627803.db2.gz HFCSVITXMAQSTC-SKDRFNHKSA-N -1 1 386.441 1.299 20 0 GDADMM COc1csc(C(=O)N2C[C@@H](C)[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571269899 945627805 /nfs/dbraw/zinc/62/78/05/945627805.db2.gz HFCSVITXMAQSTC-SKDRFNHKSA-N -1 1 386.441 1.299 20 0 GDADMM COc1ccsc1C(=O)N1CC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001571270107 945631724 /nfs/dbraw/zinc/63/17/24/945631724.db2.gz NKXCVSVLZSDVTP-JTQLQIEISA-N -1 1 386.441 1.078 20 0 GDADMM COc1ccsc1C(=O)N1CC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001571270107 945631727 /nfs/dbraw/zinc/63/17/27/945631727.db2.gz NKXCVSVLZSDVTP-JTQLQIEISA-N -1 1 386.441 1.078 20 0 GDADMM Cc1nsc(N[C@H]2C[C@H](CNC(=O)c3ccc(=O)[nH]c3)C2)c1-c1nn[n-]n1 ZINC001571270596 945639508 /nfs/dbraw/zinc/63/95/08/945639508.db2.gz WGXVVHQGUBPBSN-HOMQSWHASA-N -1 1 386.441 1.353 20 0 GDADMM Cc1nsc(N[C@H]2CCN(C(=O)Cc3ccc[nH]3)C[C@@H]2C)c1-c1nn[n-]n1 ZINC001571271588 945646412 /nfs/dbraw/zinc/64/64/12/945646412.db2.gz FGDIRLNGQYXNCF-GWCFXTLKSA-N -1 1 386.485 1.851 20 0 GDADMM O=C(CC1CCCC1)N1CCCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571272202 945658049 /nfs/dbraw/zinc/65/80/49/945658049.db2.gz AWXIFFVALVNFKK-AWEZNQCLSA-N -1 1 386.460 1.266 20 0 GDADMM O=C(CC1CCCC1)N1CCCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571272202 945658056 /nfs/dbraw/zinc/65/80/56/945658056.db2.gz AWXIFFVALVNFKK-AWEZNQCLSA-N -1 1 386.460 1.266 20 0 GDADMM CN(c1nccnc1-c1nnn[n-]1)[C@H]1CCCN(C(=O)CC[C@H]2CCCO2)C1 ZINC001571272225 945658941 /nfs/dbraw/zinc/65/89/41/945658941.db2.gz BKYYDFSCMZGOBH-UONOGXRCSA-N -1 1 386.460 1.043 20 0 GDADMM CN(c1nccnc1-c1nn[n-]n1)[C@H]1CCCN(C(=O)CC[C@H]2CCCO2)C1 ZINC001571272225 945658946 /nfs/dbraw/zinc/65/89/46/945658946.db2.gz BKYYDFSCMZGOBH-UONOGXRCSA-N -1 1 386.460 1.043 20 0 GDADMM O=C(C[C@H]1CCOC1)N1CCC[C@@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571272602 945667000 /nfs/dbraw/zinc/66/70/00/945667000.db2.gz FXETZTMDBHBESJ-UONOGXRCSA-N -1 1 386.460 1.124 20 0 GDADMM O=C(C[C@H]1CCOC1)N1CCC[C@@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571272602 945667004 /nfs/dbraw/zinc/66/70/04/945667004.db2.gz FXETZTMDBHBESJ-UONOGXRCSA-N -1 1 386.460 1.124 20 0 GDADMM O=C(CC1CCOCC1)N1CC[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571272840 945673211 /nfs/dbraw/zinc/67/32/11/945673211.db2.gz JJGAPOIBESPNLK-AWEZNQCLSA-N -1 1 386.460 1.124 20 0 GDADMM O=C(CC1CCOCC1)N1CC[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571272840 945673217 /nfs/dbraw/zinc/67/32/17/945673217.db2.gz JJGAPOIBESPNLK-AWEZNQCLSA-N -1 1 386.460 1.124 20 0 GDADMM COc1cccc2c1OC[C@H](NC(=O)c1cc(F)c(-c3nnn[n-]3)c(F)c1)C2 ZINC001571275563 945709714 /nfs/dbraw/zinc/70/97/14/945709714.db2.gz XAFDDLQKFKWQEY-LLVKDONJSA-N -1 1 387.346 1.887 20 0 GDADMM COc1cccc2c1OC[C@H](NC(=O)c1cc(F)c(-c3nn[n-]n3)c(F)c1)C2 ZINC001571275563 945709722 /nfs/dbraw/zinc/70/97/22/945709722.db2.gz XAFDDLQKFKWQEY-LLVKDONJSA-N -1 1 387.346 1.887 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ncc(F)cc1F ZINC001571275602 945709863 /nfs/dbraw/zinc/70/98/63/945709863.db2.gz YLVIJLLYPXAMRB-KWQFWETISA-N -1 1 387.354 1.045 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ncc(F)cc1F ZINC001571275602 945709875 /nfs/dbraw/zinc/70/98/75/945709875.db2.gz YLVIJLLYPXAMRB-KWQFWETISA-N -1 1 387.354 1.045 20 0 GDADMM CC[C@H]1CC[C@@H](C(=O)N[C@H]2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)CC2)O1 ZINC001571275832 945716725 /nfs/dbraw/zinc/71/67/25/945716725.db2.gz DDDZSDGTGTZKHZ-ABHRYQDASA-N -1 1 386.460 1.454 20 0 GDADMM CC[C@H]1CC[C@@H](C(=O)N[C@H]2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)CC2)O1 ZINC001571275832 945716731 /nfs/dbraw/zinc/71/67/31/945716731.db2.gz DDDZSDGTGTZKHZ-ABHRYQDASA-N -1 1 386.460 1.454 20 0 GDADMM C[C@@H](C(=O)N1CCCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C1CCC1 ZINC001571277569 945742244 /nfs/dbraw/zinc/74/22/44/945742244.db2.gz LUFFAMRKFCCNNR-OCCSQVGLSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](C(=O)N1CCCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C1CCC1 ZINC001571277569 945742252 /nfs/dbraw/zinc/74/22/52/945742252.db2.gz LUFFAMRKFCCNNR-OCCSQVGLSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CCN(C(=O)[C@@H]2CCCCO2)CC1 ZINC001571279341 945775420 /nfs/dbraw/zinc/77/54/20/945775420.db2.gz VFKIJWCJZXYIDJ-WFASDCNBSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CCN(C(=O)[C@@H]2CCCCO2)CC1 ZINC001571279341 945775423 /nfs/dbraw/zinc/77/54/23/945775423.db2.gz VFKIJWCJZXYIDJ-WFASDCNBSA-N -1 1 386.460 1.265 20 0 GDADMM CC[C@@H]1CC[C@H](C(=O)N2CCC(C)(Nc3cncc(-c4nnn[n-]4)n3)CC2)O1 ZINC001571279323 945776052 /nfs/dbraw/zinc/77/60/52/945776052.db2.gz UXTXRQUPOASMNX-TZMCWYRMSA-N -1 1 386.460 1.407 20 0 GDADMM CC[C@@H]1CC[C@H](C(=O)N2CCC(C)(Nc3cncc(-c4nn[n-]n4)n3)CC2)O1 ZINC001571279323 945776063 /nfs/dbraw/zinc/77/60/63/945776063.db2.gz UXTXRQUPOASMNX-TZMCWYRMSA-N -1 1 386.460 1.407 20 0 GDADMM C[C@](O)(CC(=O)N1CCC(C)(Nc2nccnc2-c2nnn[n-]2)CC1)C1CC1 ZINC001571279977 945793290 /nfs/dbraw/zinc/79/32/90/945793290.db2.gz YOROFLLGNFCBSP-SFHVURJKSA-N -1 1 386.460 1.001 20 0 GDADMM C[C@](O)(CC(=O)N1CCC(C)(Nc2nccnc2-c2nn[n-]n2)CC1)C1CC1 ZINC001571279977 945793297 /nfs/dbraw/zinc/79/32/97/945793297.db2.gz YOROFLLGNFCBSP-SFHVURJKSA-N -1 1 386.460 1.001 20 0 GDADMM Cc1n[nH]cc1C(=O)N1CCC[C@@H](N(C)c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571281125 945798025 /nfs/dbraw/zinc/79/80/25/945798025.db2.gz CMCVRYXNEYUDRX-LLVKDONJSA-N -1 1 387.473 1.404 20 0 GDADMM Cc1cn(C)nc1C(=O)N1CCC[C@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001571281650 945809374 /nfs/dbraw/zinc/80/93/74/945809374.db2.gz KRBBDLNDNBOKNH-NSHDSACASA-N -1 1 387.473 1.390 20 0 GDADMM CCc1n[nH]cc1C(=O)N[C@@H]1CN(c2snc(C)c2-c2nn[n-]n2)C[C@H]1C ZINC001571281970 945824202 /nfs/dbraw/zinc/82/42/02/945824202.db2.gz QHISSFJKCOGNNA-PRHODGIISA-N -1 1 387.473 1.172 20 0 GDADMM CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001573450568 945825156 /nfs/dbraw/zinc/82/51/56/945825156.db2.gz KOEQDXFHPFDNOX-SFHVURJKSA-N -1 1 391.435 1.414 20 0 GDADMM CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001573450568 945825168 /nfs/dbraw/zinc/82/51/68/945825168.db2.gz KOEQDXFHPFDNOX-SFHVURJKSA-N -1 1 391.435 1.414 20 0 GDADMM CC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573450784 945829759 /nfs/dbraw/zinc/82/97/59/945829759.db2.gz NHSADEJPYNDWHQ-GOEBONIOSA-N -1 1 382.403 1.612 20 0 GDADMM CC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573450784 945829767 /nfs/dbraw/zinc/82/97/67/945829767.db2.gz NHSADEJPYNDWHQ-GOEBONIOSA-N -1 1 382.403 1.612 20 0 GDADMM Cc1cc[nH]c1C(=O)NC[C@@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001571282236 945833643 /nfs/dbraw/zinc/83/36/43/945833643.db2.gz VTHPVNDFYDNHFF-GFCCVEGCSA-N -1 1 387.469 1.196 20 0 GDADMM CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001573454010 945872703 /nfs/dbraw/zinc/87/27/03/945872703.db2.gz TYZIKOUQWQVJJV-CQSZACIVSA-N -1 1 392.423 1.379 20 0 GDADMM CC(=O)N1C[C@@H](c2ccccc2F)[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573454024 945872736 /nfs/dbraw/zinc/87/27/36/945872736.db2.gz UTPRPIFTOMULFD-XJKSGUPXSA-N -1 1 382.403 1.531 20 0 GDADMM CC(=O)N1C[C@@H](c2ccccc2F)[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573454024 945872747 /nfs/dbraw/zinc/87/27/47/945872747.db2.gz UTPRPIFTOMULFD-XJKSGUPXSA-N -1 1 382.403 1.531 20 0 GDADMM O=C(NC[C@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1)c1ccc(Cl)[nH]1 ZINC001571285685 945925769 /nfs/dbraw/zinc/92/57/69/945925769.db2.gz LQXUJEWUCKIRBC-SNVBAGLBSA-N -1 1 387.835 1.427 20 0 GDADMM O=C(NC[C@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1)c1ccc(Cl)[nH]1 ZINC001571285685 945925779 /nfs/dbraw/zinc/92/57/79/945925779.db2.gz LQXUJEWUCKIRBC-SNVBAGLBSA-N -1 1 387.835 1.427 20 0 GDADMM O=C(NC[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccc(Cl)[nH]1 ZINC001571285789 945927387 /nfs/dbraw/zinc/92/73/87/945927387.db2.gz OESWHGFPNNNMOD-JTQLQIEISA-N -1 1 387.835 1.285 20 0 GDADMM O=C(NC[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccc(Cl)[nH]1 ZINC001571285789 945927392 /nfs/dbraw/zinc/92/73/92/945927392.db2.gz OESWHGFPNNNMOD-JTQLQIEISA-N -1 1 387.835 1.285 20 0 GDADMM CC(C)(F)C(=O)N1CCC([C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001571288552 945987859 /nfs/dbraw/zinc/98/78/59/945987859.db2.gz QKMHDSGVZVBRRJ-ZDUSSCGKSA-N -1 1 388.451 1.470 20 0 GDADMM CC(C)(F)C(=O)N1CCC([C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001571288552 945987865 /nfs/dbraw/zinc/98/78/65/945987865.db2.gz QKMHDSGVZVBRRJ-ZDUSSCGKSA-N -1 1 388.451 1.470 20 0 GDADMM CC1(C)CN(C(=O)C2(F)CCCCC2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571289308 946000036 /nfs/dbraw/zinc/00/00/36/946000036.db2.gz ZMKZGOKRKUXJCR-CYBMUJFWSA-N -1 1 388.451 1.978 20 0 GDADMM CC1(C)CN(C(=O)C2(F)CCCCC2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571289308 946000044 /nfs/dbraw/zinc/00/00/44/946000044.db2.gz ZMKZGOKRKUXJCR-CYBMUJFWSA-N -1 1 388.451 1.978 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2[C@H]3CN(c4snc(C)c4-c4nn[n-]n4)C[C@H]32)ns1 ZINC001571289541 946008990 /nfs/dbraw/zinc/00/89/90/946008990.db2.gz HCUAKMNQORSGJU-GDGBQDQQSA-N -1 1 388.482 1.261 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@](CO)(Nc2cncc(-c3nnn[n-]3)n2)C1)C(C)(C)C ZINC001571289947 946022844 /nfs/dbraw/zinc/02/28/44/946022844.db2.gz QKQPKEDHKOLRNF-KPZWWZAWSA-N -1 1 388.476 1.104 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@](CO)(Nc2cncc(-c3nn[n-]n3)n2)C1)C(C)(C)C ZINC001571289947 946022855 /nfs/dbraw/zinc/02/28/55/946022855.db2.gz QKQPKEDHKOLRNF-KPZWWZAWSA-N -1 1 388.476 1.104 20 0 GDADMM CC[C@@H]1CN(C(=O)c2nc[nH]n2)CC[C@@H]1Nc1snc(C)c1-c1nn[n-]n1 ZINC001571290116 946029833 /nfs/dbraw/zinc/02/98/33/946029833.db2.gz VMXCJVUMTWXJGM-ZJUUUORDSA-N -1 1 388.461 1.103 20 0 GDADMM C[C@@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(Cl)o1 ZINC001571290678 946050071 /nfs/dbraw/zinc/05/00/71/946050071.db2.gz LPNWYSWBZLNWKK-ZJUUUORDSA-N -1 1 388.819 1.430 20 0 GDADMM CN(c1nccnc1-c1nnn[n-]1)[C@H]1CCCN(C(=O)c2ccc(Cl)o2)C1 ZINC001571290750 946054105 /nfs/dbraw/zinc/05/41/05/946054105.db2.gz NVGLOSSNARGHMP-JTQLQIEISA-N -1 1 388.819 1.644 20 0 GDADMM CN(c1nccnc1-c1nn[n-]n1)[C@H]1CCCN(C(=O)c2ccc(Cl)o2)C1 ZINC001571290750 946054112 /nfs/dbraw/zinc/05/41/12/946054112.db2.gz NVGLOSSNARGHMP-JTQLQIEISA-N -1 1 388.819 1.644 20 0 GDADMM O=C(N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cc(Cl)ccc1F ZINC001571290841 946057462 /nfs/dbraw/zinc/05/74/62/946057462.db2.gz QNFFMDBPGPFBSX-JTQLQIEISA-N -1 1 388.794 1.458 20 0 GDADMM O=C(N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cc(Cl)ccc1F ZINC001571290841 946057473 /nfs/dbraw/zinc/05/74/73/946057473.db2.gz QNFFMDBPGPFBSX-JTQLQIEISA-N -1 1 388.794 1.458 20 0 GDADMM O=C(c1cc(F)cc(Cl)c1)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571290928 946059152 /nfs/dbraw/zinc/05/91/52/946059152.db2.gz UWNRESNQLABFKT-GFCCVEGCSA-N -1 1 388.794 1.776 20 0 GDADMM O=C(c1cc(F)cc(Cl)c1)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571290928 946059166 /nfs/dbraw/zinc/05/91/66/946059166.db2.gz UWNRESNQLABFKT-GFCCVEGCSA-N -1 1 388.794 1.776 20 0 GDADMM Cc1nc(-c2cnn(C)c2)sc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822422750 946085857 /nfs/dbraw/zinc/08/58/57/946085857.db2.gz CGRDZWUXOZFTFV-UHFFFAOYSA-N -1 1 382.409 1.990 20 0 GDADMM CCN(C(=O)c1nonc1C)[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571293128 946096481 /nfs/dbraw/zinc/09/64/81/946096481.db2.gz AGLFZZPPDJVPSP-JTQLQIEISA-N -1 1 389.445 1.064 20 0 GDADMM O=C([C@H]1CCCCC1(F)F)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1 ZINC001571294434 946134184 /nfs/dbraw/zinc/13/41/84/946134184.db2.gz GGUMVAIRVMKJNI-SDDRHHMPSA-N -1 1 390.398 1.272 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[C@@H]2C(F)F)C3)n1 ZINC001571295106 946155439 /nfs/dbraw/zinc/15/54/39/946155439.db2.gz TUMHMWKSQGLESV-LNSPPBFMSA-N -1 1 390.398 1.092 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[C@@H]2C(F)F)C3)n1 ZINC001571295106 946155444 /nfs/dbraw/zinc/15/54/44/946155444.db2.gz TUMHMWKSQGLESV-LNSPPBFMSA-N -1 1 390.398 1.092 20 0 GDADMM O=C(c1cccc(C2CC2)c1)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571297973 946201686 /nfs/dbraw/zinc/20/16/86/946201686.db2.gz FZINMMOYIZPUQM-CYBMUJFWSA-N -1 1 390.451 1.530 20 0 GDADMM Cc1nsc(N2CC[C@H](NC(=O)Cc3cncs3)[C@H]2C)c1-c1nn[n-]n1 ZINC001571298788 946231475 /nfs/dbraw/zinc/23/14/75/946231475.db2.gz RBOLNAIGLZYPRS-KOLCDFICSA-N -1 1 390.498 1.414 20 0 GDADMM Cc1cccc([C@@H]2C[C@H]2C(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571298928 946233789 /nfs/dbraw/zinc/23/37/89/946233789.db2.gz LWSYQUSHVZHIBG-OWCLPIDISA-N -1 1 390.451 1.782 20 0 GDADMM Cc1cccc([C@@H]2C[C@H]2C(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571298928 946233799 /nfs/dbraw/zinc/23/37/99/946233799.db2.gz LWSYQUSHVZHIBG-OWCLPIDISA-N -1 1 390.451 1.782 20 0 GDADMM Cc1nsc(N2CCC[C@@H](NC(=O)c3ccsn3)CC2)c1-c1nn[n-]n1 ZINC001571298952 946234721 /nfs/dbraw/zinc/23/47/21/946234721.db2.gz RYNNRYJCNOEZSD-SNVBAGLBSA-N -1 1 390.498 1.877 20 0 GDADMM CCc1cccc(CC(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)c1 ZINC001571299088 946238010 /nfs/dbraw/zinc/23/80/10/946238010.db2.gz NOBHUMCAPRAEJG-QWHZDKJVSA-N -1 1 390.451 1.013 20 0 GDADMM CCc1cccc(CC(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)c1 ZINC001571299088 946238021 /nfs/dbraw/zinc/23/80/21/946238021.db2.gz NOBHUMCAPRAEJG-QWHZDKJVSA-N -1 1 390.451 1.013 20 0 GDADMM CC(=O)N[C@H](CC(=O)NCc1ccc(-c2nn[n-]n2)s1)c1cccs1 ZINC001573486074 946238466 /nfs/dbraw/zinc/23/84/66/946238466.db2.gz CHNDADJUFYIZJO-LLVKDONJSA-N -1 1 376.467 1.873 20 0 GDADMM CC(=O)N[C@@H](CC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1c(F)cccc1F ZINC001573486682 946242515 /nfs/dbraw/zinc/24/25/15/946242515.db2.gz IIBVOBOIDFQUGP-LBPRGKRZSA-N -1 1 390.354 1.084 20 0 GDADMM CC(=O)N[C@@H](CC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1c(F)cccc1F ZINC001573486682 946242527 /nfs/dbraw/zinc/24/25/27/946242527.db2.gz IIBVOBOIDFQUGP-LBPRGKRZSA-N -1 1 390.354 1.084 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@H](N(C)c3nc(C)cc(-c4nnn[n-]4)n3)C2)cc1 ZINC001571299201 946243723 /nfs/dbraw/zinc/24/37/23/946243723.db2.gz PAIWMZCXLFDSPG-INIZCTEOSA-N -1 1 390.451 1.959 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@H](N(C)c3nc(C)cc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571299201 946243734 /nfs/dbraw/zinc/24/37/34/946243734.db2.gz PAIWMZCXLFDSPG-INIZCTEOSA-N -1 1 390.451 1.959 20 0 GDADMM O=C(Cc1ccc2c(c1)CCC2)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571299599 946255563 /nfs/dbraw/zinc/25/55/63/946255563.db2.gz YIZBSGDLQVTEKH-MRXNPFEDSA-N -1 1 390.451 1.401 20 0 GDADMM O=C(Cc1ccc2c(c1)CCC2)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571299599 946255572 /nfs/dbraw/zinc/25/55/72/946255572.db2.gz YIZBSGDLQVTEKH-MRXNPFEDSA-N -1 1 390.451 1.401 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1csc(Cl)c1 ZINC001571299687 946259399 /nfs/dbraw/zinc/25/93/99/946259399.db2.gz OORGOFNSTKLCTM-SNVBAGLBSA-N -1 1 390.860 1.770 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1csc(Cl)c1 ZINC001571299687 946259412 /nfs/dbraw/zinc/25/94/12/946259412.db2.gz OORGOFNSTKLCTM-SNVBAGLBSA-N -1 1 390.860 1.770 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(Cl)s2)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571300166 946274589 /nfs/dbraw/zinc/27/45/89/946274589.db2.gz VWGQFNOZGCAOKY-IUCAKERBSA-N -1 1 390.860 1.944 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(Cl)s2)C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571300166 946274602 /nfs/dbraw/zinc/27/46/02/946274602.db2.gz VWGQFNOZGCAOKY-IUCAKERBSA-N -1 1 390.860 1.944 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(Cl)s2)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571300164 946275148 /nfs/dbraw/zinc/27/51/48/946275148.db2.gz VWGQFNOZGCAOKY-DTWKUNHWSA-N -1 1 390.860 1.944 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(Cl)s2)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571300164 946275160 /nfs/dbraw/zinc/27/51/60/946275160.db2.gz VWGQFNOZGCAOKY-DTWKUNHWSA-N -1 1 390.860 1.944 20 0 GDADMM O=C(COc1cccc(NC(=O)C2CC2)c1)Nc1ncc(-c2nnn[n-]2)s1 ZINC000823043637 946291923 /nfs/dbraw/zinc/29/19/23/946291923.db2.gz DLCWDRCREDJOPY-UHFFFAOYSA-N -1 1 385.409 1.689 20 0 GDADMM O=C(COc1cccc(NC(=O)C2CC2)c1)Nc1ncc(-c2nn[n-]n2)s1 ZINC000823043637 946291934 /nfs/dbraw/zinc/29/19/34/946291934.db2.gz DLCWDRCREDJOPY-UHFFFAOYSA-N -1 1 385.409 1.689 20 0 GDADMM CC(=O)N[C@H]1C[C@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)Oc2ccccc21 ZINC001573496242 946320366 /nfs/dbraw/zinc/32/03/66/946320366.db2.gz XPPRGNSLQNYNOG-LIRRHRJNSA-N -1 1 392.423 1.266 20 0 GDADMM CC(=O)N[C@H]1C[C@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)Oc2ccccc21 ZINC001573496242 946320378 /nfs/dbraw/zinc/32/03/78/946320378.db2.gz XPPRGNSLQNYNOG-LIRRHRJNSA-N -1 1 392.423 1.266 20 0 GDADMM Cc1cnccc1C(=O)N1CCC[C@H]2[C@@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001571303298 946331763 /nfs/dbraw/zinc/33/17/63/946331763.db2.gz OFZFKVXMFFWYCL-HOTGVXAUSA-N -1 1 391.439 1.244 20 0 GDADMM Cc1cnccc1C(=O)N1CCC[C@H]2[C@@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001571303298 946331774 /nfs/dbraw/zinc/33/17/74/946331774.db2.gz OFZFKVXMFFWYCL-HOTGVXAUSA-N -1 1 391.439 1.244 20 0 GDADMM O=C(c1scnc1Cl)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571305450 946365389 /nfs/dbraw/zinc/36/53/89/946365389.db2.gz BNCMNILKCFVSNF-MRVPVSSYSA-N -1 1 391.848 1.483 20 0 GDADMM O=C(c1scnc1Cl)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571305450 946365399 /nfs/dbraw/zinc/36/53/99/946365399.db2.gz BNCMNILKCFVSNF-MRVPVSSYSA-N -1 1 391.848 1.483 20 0 GDADMM Cc1nsc(N(C)[C@H]2CCCN(C(=O)C[C@H]3CCCO3)C2)c1-c1nn[n-]n1 ZINC001571306059 946385042 /nfs/dbraw/zinc/38/50/42/946385042.db2.gz OTSIPJLFKSGSFH-QWHCGFSZSA-N -1 1 391.501 1.628 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CC[C@@H](c2cnccn2)C1 ZINC001571306096 946387548 /nfs/dbraw/zinc/38/75/48/946387548.db2.gz PLGKWQFBYYHDPI-SNVBAGLBSA-N -1 1 391.844 1.488 20 0 GDADMM O=C(N[C@H]1CCCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1)c1ncccn1 ZINC001571306679 946407202 /nfs/dbraw/zinc/40/72/02/946407202.db2.gz ZLQKJKZITIKLGQ-QMMMGPOBSA-N -1 1 391.848 1.165 20 0 GDADMM O=C(N[C@H]1CCCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1)c1ncccn1 ZINC001571306679 946407206 /nfs/dbraw/zinc/40/72/06/946407206.db2.gz ZLQKJKZITIKLGQ-QMMMGPOBSA-N -1 1 391.848 1.165 20 0 GDADMM O=C(Nc1ccc(C(=O)NC2CCOCC2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823323488 946410662 /nfs/dbraw/zinc/41/06/62/946410662.db2.gz QIFUPKJTCSZXJR-UHFFFAOYSA-N -1 1 393.407 1.423 20 0 GDADMM O=C(Nc1ccc(C(=O)NC2CCOCC2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823323488 946410667 /nfs/dbraw/zinc/41/06/67/946410667.db2.gz QIFUPKJTCSZXJR-UHFFFAOYSA-N -1 1 393.407 1.423 20 0 GDADMM CC1(C)CC[C@@H](CNC(=O)[C@H]2CC2(F)F)N(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571307240 946420597 /nfs/dbraw/zinc/42/05/97/946420597.db2.gz AMJISAMXLIQKQP-WDEREUQCSA-N -1 1 392.414 1.423 20 0 GDADMM CC1(C)CC[C@@H](CNC(=O)[C@H]2CC2(F)F)N(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571307240 946420603 /nfs/dbraw/zinc/42/06/03/946420603.db2.gz AMJISAMXLIQKQP-WDEREUQCSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@H]1CCN(C(=O)C2(C(F)F)CC2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571307234 946420720 /nfs/dbraw/zinc/42/07/20/946420720.db2.gz AFUJHDYEDKIIPL-QWRGUYRKSA-N -1 1 392.414 1.020 20 0 GDADMM O=C([C@H]1CCC(F)(F)C1)N1CCC(CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001571307570 946424556 /nfs/dbraw/zinc/42/45/56/946424556.db2.gz FHMMEAMWUZZILH-LBPRGKRZSA-N -1 1 392.414 1.743 20 0 GDADMM O=C([C@H]1CCC(F)(F)C1)N1CCC(CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001571307570 946424567 /nfs/dbraw/zinc/42/45/67/946424567.db2.gz FHMMEAMWUZZILH-LBPRGKRZSA-N -1 1 392.414 1.743 20 0 GDADMM CN(c1cnc(-c2nnn[n-]2)cn1)C1CCN(C(=O)C2(C(C)(F)F)CC2)CC1 ZINC001571307807 946424901 /nfs/dbraw/zinc/42/49/01/946424901.db2.gz HKDFPVMOHHGHKG-UHFFFAOYSA-N -1 1 392.414 1.519 20 0 GDADMM CN(c1cnc(-c2nn[n-]n2)cn1)C1CCN(C(=O)C2(C(C)(F)F)CC2)CC1 ZINC001571307807 946424909 /nfs/dbraw/zinc/42/49/09/946424909.db2.gz HKDFPVMOHHGHKG-UHFFFAOYSA-N -1 1 392.414 1.519 20 0 GDADMM O=C(C1CCC(F)(F)CC1)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571308096 946429205 /nfs/dbraw/zinc/42/92/05/946429205.db2.gz MOOBCISEDJTKNH-GFCCVEGCSA-N -1 1 392.414 1.885 20 0 GDADMM O=C(C1CCC(F)(F)CC1)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571308096 946429213 /nfs/dbraw/zinc/42/92/13/946429213.db2.gz MOOBCISEDJTKNH-GFCCVEGCSA-N -1 1 392.414 1.885 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NCC[C@@H]2CCN(C(=O)C3CC(F)(F)C3)C2)n1 ZINC001571308857 946436898 /nfs/dbraw/zinc/43/68/98/946436898.db2.gz TYAUMGCCCUOGKW-LLVKDONJSA-N -1 1 392.414 1.661 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NCC[C@@H]2CCN(C(=O)C3CC(F)(F)C3)C2)n1 ZINC001571308857 946436907 /nfs/dbraw/zinc/43/69/07/946436907.db2.gz TYAUMGCCCUOGKW-LLVKDONJSA-N -1 1 392.414 1.661 20 0 GDADMM CC1(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCC(F)(F)CC1 ZINC001571308853 946438161 /nfs/dbraw/zinc/43/81/61/946438161.db2.gz TXNWGOJHJUBWJM-LLVKDONJSA-N -1 1 392.414 1.307 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccnc(C2CC2)n1 ZINC001571313155 946513998 /nfs/dbraw/zinc/51/39/98/946513998.db2.gz OYISDQUFMHBHBQ-JQWIXIFHSA-N -1 1 392.427 1.039 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccnc(C2CC2)n1 ZINC001571313155 946514010 /nfs/dbraw/zinc/51/40/10/946514010.db2.gz OYISDQUFMHBHBQ-JQWIXIFHSA-N -1 1 392.427 1.039 20 0 GDADMM C[C@@H](C(=O)N(C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)c1ccccc1 ZINC001571313399 946519910 /nfs/dbraw/zinc/51/99/10/946519910.db2.gz OCQDYJKFOQWBAB-CQSZACIVSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@@H](C(=O)N(C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)c1ccccc1 ZINC001571313399 946519920 /nfs/dbraw/zinc/51/99/20/946519920.db2.gz OCQDYJKFOQWBAB-CQSZACIVSA-N -1 1 392.467 1.888 20 0 GDADMM CCCc1ccccc1C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571313473 946523122 /nfs/dbraw/zinc/52/31/22/946523122.db2.gz PEUPYVKKHMZDLY-AWEZNQCLSA-N -1 1 392.467 1.605 20 0 GDADMM O=C(c1cccc2c1CCOC2)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571313563 946526273 /nfs/dbraw/zinc/52/62/73/946526273.db2.gz RVSJNDUWOYZDII-CYBMUJFWSA-N -1 1 392.423 1.056 20 0 GDADMM O=C(c1cccc2c1CCOC2)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571313563 946526279 /nfs/dbraw/zinc/52/62/79/946526279.db2.gz RVSJNDUWOYZDII-CYBMUJFWSA-N -1 1 392.423 1.056 20 0 GDADMM Cc1cccc([C@H](C)C(=O)N2CC[C@H](N(C)c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571315833 946561276 /nfs/dbraw/zinc/56/12/76/946561276.db2.gz PAMYLVDZKOKGGI-HOCLYGCPSA-N -1 1 392.467 1.806 20 0 GDADMM Cc1ccc(CC(=O)N2C[C@H](Nc3nccnc3-c3nnn[n-]3)[C@@H](C)C2)cc1C ZINC001571316060 946563704 /nfs/dbraw/zinc/56/37/04/946563704.db2.gz SUMYFUSJPOIKKP-HOCLYGCPSA-N -1 1 392.467 1.775 20 0 GDADMM Cc1ccc(CC(=O)N2C[C@H](Nc3nccnc3-c3nn[n-]n3)[C@@H](C)C2)cc1C ZINC001571316060 946563712 /nfs/dbraw/zinc/56/37/12/946563712.db2.gz SUMYFUSJPOIKKP-HOCLYGCPSA-N -1 1 392.467 1.775 20 0 GDADMM Cc1cc(C)cc(CC(=O)N2CCC[C@H]2CNc2nccnc2-c2nnn[n-]2)c1 ZINC001571316081 946566630 /nfs/dbraw/zinc/56/66/30/946566630.db2.gz TUYHZMXSCRRQTF-INIZCTEOSA-N -1 1 392.467 1.919 20 0 GDADMM Cc1cc(C)cc(CC(=O)N2CCC[C@H]2CNc2nccnc2-c2nn[n-]n2)c1 ZINC001571316081 946566634 /nfs/dbraw/zinc/56/66/34/946566634.db2.gz TUYHZMXSCRRQTF-INIZCTEOSA-N -1 1 392.467 1.919 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NCCc2ccc(CNC(=O)[C@@H]3C[C@H]3C)cc2)n1 ZINC001571316320 946574847 /nfs/dbraw/zinc/57/48/47/946574847.db2.gz ZPBZDFSEGFEDCY-MLGOLLRUSA-N -1 1 392.467 1.892 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NCCc2ccc(CNC(=O)[C@@H]3C[C@H]3C)cc2)n1 ZINC001571316320 946574853 /nfs/dbraw/zinc/57/48/53/946574853.db2.gz ZPBZDFSEGFEDCY-MLGOLLRUSA-N -1 1 392.467 1.892 20 0 GDADMM Cc1ccccc1[C@@H](C)C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571316710 946584821 /nfs/dbraw/zinc/58/48/21/946584821.db2.gz KLOAOEQIHRSYOB-CQSZACIVSA-N -1 1 392.467 1.854 20 0 GDADMM Cc1ccccc1[C@@H](C)C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571316710 946584834 /nfs/dbraw/zinc/58/48/34/946584834.db2.gz KLOAOEQIHRSYOB-CQSZACIVSA-N -1 1 392.467 1.854 20 0 GDADMM Cc1ccccc1CC(=O)N[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C ZINC001571317099 946597819 /nfs/dbraw/zinc/59/78/19/946597819.db2.gz VEHGXFPGGOHOLG-HNNXBMFYSA-N -1 1 392.467 1.539 20 0 GDADMM Cc1[nH]nc(NC(=O)CSCC(=O)N(C)C2CCCCC2)c1-c1nn[n-]n1 ZINC001571317433 946609250 /nfs/dbraw/zinc/60/92/50/946609250.db2.gz HNUKZIQPNDDGRH-UHFFFAOYSA-N -1 1 392.489 1.361 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)c2ccc[nH]2)C1)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001571317586 946613035 /nfs/dbraw/zinc/61/30/35/946613035.db2.gz NPPYIFNCJIGVBR-VIFPVBQESA-N -1 1 392.876 1.903 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)c2ccc[nH]2)C1)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001571317586 946613048 /nfs/dbraw/zinc/61/30/48/946613048.db2.gz NPPYIFNCJIGVBR-VIFPVBQESA-N -1 1 392.876 1.903 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CC[C@@H](N(C)c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571317538 946613696 /nfs/dbraw/zinc/61/36/96/946613696.db2.gz LSHKWELZADSXGB-SECBINFHSA-N -1 1 392.876 1.964 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CC[C@@H](N(C)c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571317538 946613703 /nfs/dbraw/zinc/61/37/03/946613703.db2.gz LSHKWELZADSXGB-SECBINFHSA-N -1 1 392.876 1.964 20 0 GDADMM Brc1cc(CNc2ncncc2-c2nn[n-]n2)cc2c1OCCO2 ZINC001573280087 946655021 /nfs/dbraw/zinc/65/50/21/946655021.db2.gz ORWRWTLCVJGQNF-UHFFFAOYSA-N -1 1 390.201 1.803 20 0 GDADMM CC(=O)c1ccc(S(=O)(=O)NCc2nc(-c3nnn[n-]3)cs2)cc1F ZINC001573555449 946911526 /nfs/dbraw/zinc/91/15/26/946911526.db2.gz MORDNKXPVXXWRI-UHFFFAOYSA-N -1 1 382.402 1.143 20 0 GDADMM CC(=O)c1ccc(S(=O)(=O)NCc2nc(-c3nn[n-]n3)cs2)cc1F ZINC001573555449 946911536 /nfs/dbraw/zinc/91/15/36/946911536.db2.gz MORDNKXPVXXWRI-UHFFFAOYSA-N -1 1 382.402 1.143 20 0 GDADMM CC(=O)c1ccc(C(=O)Nc2ncc3c(c2-c2nn[n-]n2)COCC3)c(F)c1 ZINC001573556234 946923867 /nfs/dbraw/zinc/92/38/67/946923867.db2.gz MRPKADCKAQKLHI-UHFFFAOYSA-N -1 1 382.355 1.928 20 0 GDADMM C=C1c2ccccc2C(=O)N1CCC(=O)Nc1nn(C)c(C)c1-c1nnn[n-]1 ZINC001573300797 947121725 /nfs/dbraw/zinc/12/17/25/947121725.db2.gz OCLOHRDHMYUJNM-UHFFFAOYSA-N -1 1 378.396 1.364 20 0 GDADMM C=C1c2ccccc2C(=O)N1CCC(=O)Nc1nn(C)c(C)c1-c1nn[n-]n1 ZINC001573300797 947121730 /nfs/dbraw/zinc/12/17/30/947121730.db2.gz OCLOHRDHMYUJNM-UHFFFAOYSA-N -1 1 378.396 1.364 20 0 GDADMM CCN(C[C@H]1COc2ccccc2O1)C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825419737 947185626 /nfs/dbraw/zinc/18/56/26/947185626.db2.gz UTSJKRKXJRYBNB-LBPRGKRZSA-N -1 1 384.396 1.394 20 0 GDADMM CCN(C[C@H]1COc2ccccc2O1)C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825419737 947185630 /nfs/dbraw/zinc/18/56/30/947185630.db2.gz UTSJKRKXJRYBNB-LBPRGKRZSA-N -1 1 384.396 1.394 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c1-c1nn[n-]n1 ZINC000825565053 947223789 /nfs/dbraw/zinc/22/37/89/947223789.db2.gz KTBLAZZRNGWBJQ-GMXVVIOVSA-N -1 1 375.433 1.181 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)Nc2ccc(OCC)cc2)c1-c1nn[n-]n1 ZINC000825571330 947235931 /nfs/dbraw/zinc/23/59/31/947235931.db2.gz YFEYVUIHVHIVHK-UHFFFAOYSA-N -1 1 385.384 1.277 20 0 GDADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC001573593040 947359033 /nfs/dbraw/zinc/35/90/33/947359033.db2.gz PNYKZLYSXBZORM-LBPRGKRZSA-N -1 1 384.444 1.950 20 0 GDADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC001573593040 947359044 /nfs/dbraw/zinc/35/90/44/947359044.db2.gz PNYKZLYSXBZORM-LBPRGKRZSA-N -1 1 384.444 1.950 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CNc1ccccc1Cl ZINC000825930776 947374919 /nfs/dbraw/zinc/37/49/19/947374919.db2.gz YVXXJQNGVHUSGU-UHFFFAOYSA-N -1 1 389.851 1.329 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CNc1ccccc1Cl ZINC000825930776 947374924 /nfs/dbraw/zinc/37/49/24/947374924.db2.gz YVXXJQNGVHUSGU-UHFFFAOYSA-N -1 1 389.851 1.329 20 0 GDADMM C[C@@H](C(=O)N(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)C(C)(F)F ZINC001573593887 947380637 /nfs/dbraw/zinc/38/06/37/947380637.db2.gz MNTPGGQFWIUFJT-CABZTGNLSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@@H](C(=O)N(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)C(C)(F)F ZINC001573593887 947380647 /nfs/dbraw/zinc/38/06/47/947380647.db2.gz MNTPGGQFWIUFJT-CABZTGNLSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@H](C(=O)N(C)CCCN(C)c1ccnc(-c2nn[n-]n2)n1)c1ccsc1 ZINC001573594640 947403383 /nfs/dbraw/zinc/40/33/83/947403383.db2.gz BPPQXYRHWUOBFX-LBPRGKRZSA-N -1 1 386.485 1.807 20 0 GDADMM COC(=O)[C@H](C)[C@@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)c1ccccc1 ZINC000826099123 947426303 /nfs/dbraw/zinc/42/63/03/947426303.db2.gz YWZCSIOGWBHRRY-QLJPJBMISA-N -1 1 384.396 1.372 20 0 GDADMM COC(=O)[C@H](C)[C@@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)c1ccccc1 ZINC000826099123 947426309 /nfs/dbraw/zinc/42/63/09/947426309.db2.gz YWZCSIOGWBHRRY-QLJPJBMISA-N -1 1 384.396 1.372 20 0 GDADMM CO[C@@H]1[C@H](C)[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C1(C)C ZINC000826144524 947457045 /nfs/dbraw/zinc/45/70/45/947457045.db2.gz LWNACNWKHXVREO-AVPPRXQKSA-N -1 1 378.458 1.479 20 0 GDADMM C[C@H](C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1)c1ccc(F)c(F)c1 ZINC001573603188 947478967 /nfs/dbraw/zinc/47/89/67/947478967.db2.gz DIIVWPOHUCFLCE-JTQLQIEISA-N -1 1 388.382 1.609 20 0 GDADMM C[C@H](C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1)c1ccc(F)c(F)c1 ZINC001573603188 947478973 /nfs/dbraw/zinc/47/89/73/947478973.db2.gz DIIVWPOHUCFLCE-JTQLQIEISA-N -1 1 388.382 1.609 20 0 GDADMM C[C@@H](C(=O)N(C)CCNc1nc(Cl)c(-c2nnn[n-]2)s1)[C@@H]1CCCO1 ZINC001573604759 947515532 /nfs/dbraw/zinc/51/55/32/947515532.db2.gz RDXNVJRBXYVIMI-BDAKNGLRSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](C(=O)N(C)CCNc1nc(Cl)c(-c2nn[n-]n2)s1)[C@@H]1CCCO1 ZINC001573604759 947515541 /nfs/dbraw/zinc/51/55/41/947515541.db2.gz RDXNVJRBXYVIMI-BDAKNGLRSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@H](C(=O)N(C)CCNc1ccnc(-c2nn[n-]n2)n1)c1cccc(Cl)c1 ZINC001573605761 947535246 /nfs/dbraw/zinc/53/52/46/947535246.db2.gz ZISRTNMCAZTWEZ-NSHDSACASA-N -1 1 386.847 1.406 20 0 GDADMM COc1cc(C(=O)N(C)C)ccc1NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000826177213 947550060 /nfs/dbraw/zinc/55/00/60/947550060.db2.gz XJAHNFSPRDTYDV-UHFFFAOYSA-N -1 1 385.384 1.055 20 0 GDADMM COc1cc(C(=O)N(C)C)ccc1NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000826177213 947550070 /nfs/dbraw/zinc/55/00/70/947550070.db2.gz XJAHNFSPRDTYDV-UHFFFAOYSA-N -1 1 385.384 1.055 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CN(C)c2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001573614205 947580187 /nfs/dbraw/zinc/58/01/87/947580187.db2.gz DAHLTJCSDMSBKR-UONOGXRCSA-N -1 1 381.444 1.004 20 0 GDADMM C[C@H](C(=O)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1)C1CCCC1 ZINC001573614396 947584266 /nfs/dbraw/zinc/58/42/66/947584266.db2.gz DWKOGBATHDNGEM-ZDUSSCGKSA-N -1 1 384.488 1.555 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@](C)(CNc2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001573614783 947592822 /nfs/dbraw/zinc/59/28/22/947592822.db2.gz OZRJFKKHMMFHKP-XPTSAGLGSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001573614783 947592833 /nfs/dbraw/zinc/59/28/33/947592833.db2.gz OZRJFKKHMMFHKP-XPTSAGLGSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1)C(C)(F)F ZINC001573615077 947597326 /nfs/dbraw/zinc/59/73/26/947597326.db2.gz QITGIRGONXRSOP-UTUOFQBUSA-N -1 1 392.414 1.518 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1)C(C)(F)F ZINC001573615077 947597330 /nfs/dbraw/zinc/59/73/30/947597330.db2.gz QITGIRGONXRSOP-UTUOFQBUSA-N -1 1 392.414 1.518 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001573615133 947600457 /nfs/dbraw/zinc/60/04/57/947600457.db2.gz HTVSMQXVYXCDQW-KBPBESRZSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001573615133 947600466 /nfs/dbraw/zinc/60/04/66/947600466.db2.gz HTVSMQXVYXCDQW-KBPBESRZSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1)C(C)(F)F ZINC001573615718 947611478 /nfs/dbraw/zinc/61/14/78/947611478.db2.gz JXMXZZRXMBBRRQ-GHMZBOCLSA-N -1 1 380.403 1.233 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1)C(C)(F)F ZINC001573615718 947611487 /nfs/dbraw/zinc/61/14/87/947611487.db2.gz JXMXZZRXMBBRRQ-GHMZBOCLSA-N -1 1 380.403 1.233 20 0 GDADMM C[C@H](C(=O)N1CCC(C)(Nc2nccnc2-c2nnn[n-]2)CC1)c1ccco1 ZINC001573616127 947617553 /nfs/dbraw/zinc/61/75/53/947617553.db2.gz LPFCEYKKBQKEFX-LBPRGKRZSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@H](C(=O)N1CCC(C)(Nc2nccnc2-c2nn[n-]n2)CC1)c1ccco1 ZINC001573616127 947617561 /nfs/dbraw/zinc/61/75/61/947617561.db2.gz LPFCEYKKBQKEFX-LBPRGKRZSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1)c1ccco1 ZINC001573616233 947618352 /nfs/dbraw/zinc/61/83/52/947618352.db2.gz MDWFFJDAHBCCFD-CHWSQXEVSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1)c1ccco1 ZINC001573616233 947618362 /nfs/dbraw/zinc/61/83/62/947618362.db2.gz MDWFFJDAHBCCFD-CHWSQXEVSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)c1ccsc1 ZINC001573616377 947620524 /nfs/dbraw/zinc/62/05/24/947620524.db2.gz IJDOQWZKOCXHHY-YPMHNXCESA-N -1 1 384.469 1.559 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)c1ccsc1 ZINC001573616377 947620530 /nfs/dbraw/zinc/62/05/30/947620530.db2.gz IJDOQWZKOCXHHY-YPMHNXCESA-N -1 1 384.469 1.559 20 0 GDADMM C[C@@H](C(=O)N1CCC(CNc2cnc(-c3nnn[n-]3)cn2)CC1)C(F)(F)F ZINC001573616429 947620941 /nfs/dbraw/zinc/62/09/41/947620941.db2.gz IMGCLMHFPCXIPL-VIFPVBQESA-N -1 1 384.366 1.506 20 0 GDADMM C[C@@H](C(=O)N1CCC(CNc2cnc(-c3nn[n-]n3)cn2)CC1)C(F)(F)F ZINC001573616429 947620948 /nfs/dbraw/zinc/62/09/48/947620948.db2.gz IMGCLMHFPCXIPL-VIFPVBQESA-N -1 1 384.366 1.506 20 0 GDADMM CC(C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)=C1CCCC1 ZINC001573616908 947628997 /nfs/dbraw/zinc/62/89/97/947628997.db2.gz ZEEWBMQDZIZYBE-GASCZTMLSA-N -1 1 380.456 1.727 20 0 GDADMM CC(C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)=C1CCCC1 ZINC001573616908 947629003 /nfs/dbraw/zinc/62/90/03/947629003.db2.gz ZEEWBMQDZIZYBE-GASCZTMLSA-N -1 1 380.456 1.727 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@H](C)C[C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001573354401 947632607 /nfs/dbraw/zinc/63/26/07/947632607.db2.gz BTDLLFHOHOGDBK-OLZOCXBDSA-N -1 1 378.440 1.731 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CN(C)c2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001573617377 947634430 /nfs/dbraw/zinc/63/44/30/947634430.db2.gz OYZQCEXXJFNXAI-OLZOCXBDSA-N -1 1 382.428 1.338 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CN(C)c2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001573617377 947634434 /nfs/dbraw/zinc/63/44/34/947634434.db2.gz OYZQCEXXJFNXAI-OLZOCXBDSA-N -1 1 382.428 1.338 20 0 GDADMM COc1cccc(N2CC[C@H](CNC(=O)Cc3noc(C)c3-c3nnn[n-]3)C2)c1 ZINC000826216914 947637736 /nfs/dbraw/zinc/63/77/36/947637736.db2.gz RUUFJRZGIVGGQJ-CYBMUJFWSA-N -1 1 397.439 1.357 20 0 GDADMM COc1cccc(N2CC[C@H](CNC(=O)Cc3noc(C)c3-c3nn[n-]n3)C2)c1 ZINC000826216914 947637741 /nfs/dbraw/zinc/63/77/41/947637741.db2.gz RUUFJRZGIVGGQJ-CYBMUJFWSA-N -1 1 397.439 1.357 20 0 GDADMM C=Cc1ccc(C(=O)N2CCCN(c3cnc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC001573355404 947643947 /nfs/dbraw/zinc/64/39/47/947643947.db2.gz PDTSMEPUQDHQPN-UHFFFAOYSA-N -1 1 376.424 1.652 20 0 GDADMM C=Cc1ccc(C(=O)N2CCCN(c3cnc(-c4nn[n-]n4)cn3)CC2)cc1 ZINC001573355404 947643951 /nfs/dbraw/zinc/64/39/51/947643951.db2.gz PDTSMEPUQDHQPN-UHFFFAOYSA-N -1 1 376.424 1.652 20 0 GDADMM C[C@@H](C(=O)N1CC[C@](C)(CNc2cncc(-c3nnn[n-]3)n2)C1)C(C)(F)F ZINC001573618266 947647360 /nfs/dbraw/zinc/64/73/60/947647360.db2.gz RHJRQCGYSGYXDF-ZUZCIYMTSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H](C(=O)N1CC[C@](C)(CNc2cncc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573618266 947647367 /nfs/dbraw/zinc/64/73/67/947647367.db2.gz RHJRQCGYSGYXDF-ZUZCIYMTSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H](C(=O)N1CCC(C)(Nc2cncc(-c3nnn[n-]3)n2)CC1)C(F)(F)F ZINC001573618267 947648596 /nfs/dbraw/zinc/64/85/96/947648596.db2.gz RIGDREJWFILZDF-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](C(=O)N1CCC(C)(Nc2cncc(-c3nn[n-]n3)n2)CC1)C(F)(F)F ZINC001573618267 947648606 /nfs/dbraw/zinc/64/86/06/947648606.db2.gz RIGDREJWFILZDF-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CCNc2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001573619462 947664561 /nfs/dbraw/zinc/66/45/61/947664561.db2.gz WIYAZDWKJPYVLN-QWHCGFSZSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CCNc2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001573619462 947664566 /nfs/dbraw/zinc/66/45/66/947664566.db2.gz WIYAZDWKJPYVLN-QWHCGFSZSA-N -1 1 382.428 1.704 20 0 GDADMM C=Cc1ccc(C(=O)N[C@H]2C[C@@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)cc1 ZINC001573359103 947678867 /nfs/dbraw/zinc/67/88/67/947678867.db2.gz NSVDDOFSJHOSCS-GASCZTMLSA-N -1 1 376.424 1.981 20 0 GDADMM C=Cc1ccc(C(=O)N[C@H]2C[C@@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573359103 947678873 /nfs/dbraw/zinc/67/88/73/947678873.db2.gz NSVDDOFSJHOSCS-GASCZTMLSA-N -1 1 376.424 1.981 20 0 GDADMM Cc1c(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cnc2ccccc12 ZINC000826234213 947687139 /nfs/dbraw/zinc/68/71/39/947687139.db2.gz MNLAPZTYHWFFNR-UHFFFAOYSA-N -1 1 391.439 1.733 20 0 GDADMM Cc1c(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cnc2ccccc12 ZINC000826234213 947687148 /nfs/dbraw/zinc/68/71/48/947687148.db2.gz MNLAPZTYHWFFNR-UHFFFAOYSA-N -1 1 391.439 1.733 20 0 GDADMM C/C(=C\C(=O)N1C[C@@H]2CN(c3snc(C)c3-c3nn[n-]n3)C[C@@H]2C1)C1CC1 ZINC001573363227 947710344 /nfs/dbraw/zinc/71/03/44/947710344.db2.gz MTDDRWAGQOJMMU-HLIIYUEKSA-N -1 1 385.497 1.883 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC001573627447 947725430 /nfs/dbraw/zinc/72/54/30/947725430.db2.gz BNIOFVKLTOFXFS-STQMWFEESA-N -1 1 382.428 1.481 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC001573627447 947725437 /nfs/dbraw/zinc/72/54/37/947725437.db2.gz BNIOFVKLTOFXFS-STQMWFEESA-N -1 1 382.428 1.481 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1)c1ccco1 ZINC001573627848 947737141 /nfs/dbraw/zinc/73/71/41/947737141.db2.gz FXMQJLQFLWMHCX-CHWSQXEVSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1)c1ccco1 ZINC001573627848 947737152 /nfs/dbraw/zinc/73/71/52/947737152.db2.gz FXMQJLQFLWMHCX-CHWSQXEVSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001573628148 947746629 /nfs/dbraw/zinc/74/66/29/947746629.db2.gz FPYHGVDVLRUFPV-KBPBESRZSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001573628148 947746646 /nfs/dbraw/zinc/74/66/46/947746646.db2.gz FPYHGVDVLRUFPV-KBPBESRZSA-N -1 1 381.444 1.370 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@@H](C)[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573367713 947763047 /nfs/dbraw/zinc/76/30/47/947763047.db2.gz GOXRNHHSZJGLMJ-TZMCWYRMSA-N -1 1 386.460 1.313 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@@H](C)[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573367713 947763058 /nfs/dbraw/zinc/76/30/58/947763058.db2.gz GOXRNHHSZJGLMJ-TZMCWYRMSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@H]1Cc1ccc(O)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001573629373 947776868 /nfs/dbraw/zinc/77/68/68/947776868.db2.gz SHTAWLWHSIOZML-JSGCOSHPSA-N -1 1 382.428 1.349 20 0 GDADMM CC(=O)CCCC(=O)N1C[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C(C)(C)C1 ZINC001573369904 947778115 /nfs/dbraw/zinc/77/81/15/947778115.db2.gz ZHWKRFAIRLVZEY-AWEZNQCLSA-N -1 1 386.460 1.373 20 0 GDADMM CC(=O)CCCC(=O)N1C[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC001573369904 947778122 /nfs/dbraw/zinc/77/81/22/947778122.db2.gz ZHWKRFAIRLVZEY-AWEZNQCLSA-N -1 1 386.460 1.373 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]2[C@H]1CCN2c1nccnc1-c1nnn[n-]1)C1CCC1 ZINC001573629773 947784501 /nfs/dbraw/zinc/78/45/01/947784501.db2.gz VNLDCVWGUHXXAD-AEGPPILISA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]2[C@H]1CCN2c1nccnc1-c1nn[n-]n1)C1CCC1 ZINC001573629773 947784504 /nfs/dbraw/zinc/78/45/04/947784504.db2.gz VNLDCVWGUHXXAD-AEGPPILISA-N -1 1 382.472 1.663 20 0 GDADMM Cc1onc(CC(=O)NCc2coc(-c3ccc(C)cc3)n2)c1-c1nnn[n-]1 ZINC000826273553 947791332 /nfs/dbraw/zinc/79/13/32/947791332.db2.gz JAOYEUSLQQNVTP-UHFFFAOYSA-N -1 1 379.380 1.985 20 0 GDADMM Cc1onc(CC(=O)NCc2coc(-c3ccc(C)cc3)n2)c1-c1nn[n-]n1 ZINC000826273553 947791339 /nfs/dbraw/zinc/79/13/39/947791339.db2.gz JAOYEUSLQQNVTP-UHFFFAOYSA-N -1 1 379.380 1.985 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001573373998 947802562 /nfs/dbraw/zinc/80/25/62/947802562.db2.gz LOZWFHWOUCZDHN-SMDDNHRTSA-N -1 1 386.460 1.373 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001573373998 947802570 /nfs/dbraw/zinc/80/25/70/947802570.db2.gz LOZWFHWOUCZDHN-SMDDNHRTSA-N -1 1 386.460 1.373 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001573632084 947808083 /nfs/dbraw/zinc/80/80/83/947808083.db2.gz YWKUJOPBCSUEAW-QWHCGFSZSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001573632084 947808095 /nfs/dbraw/zinc/80/80/95/947808095.db2.gz YWKUJOPBCSUEAW-QWHCGFSZSA-N -1 1 382.428 1.704 20 0 GDADMM CC(=O)CCCC(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573374604 947810435 /nfs/dbraw/zinc/81/04/35/947810435.db2.gz KIRGGXVEPREIBI-CQSZACIVSA-N -1 1 386.460 1.503 20 0 GDADMM CC(=O)CCCC(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573374604 947810443 /nfs/dbraw/zinc/81/04/43/947810443.db2.gz KIRGGXVEPREIBI-CQSZACIVSA-N -1 1 386.460 1.503 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@@H]([C@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573375606 947821997 /nfs/dbraw/zinc/82/19/97/947821997.db2.gz SIOZCPUFRIHCTC-UONOGXRCSA-N -1 1 386.460 1.455 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@@H]([C@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573375606 947822009 /nfs/dbraw/zinc/82/20/09/947822009.db2.gz SIOZCPUFRIHCTC-UONOGXRCSA-N -1 1 386.460 1.455 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccsc1 ZINC001573637939 947828343 /nfs/dbraw/zinc/82/83/43/947828343.db2.gz WQGMTBDZOJAINA-DGCLKSJQSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccsc1 ZINC001573637939 947828349 /nfs/dbraw/zinc/82/83/49/947828349.db2.gz WQGMTBDZOJAINA-DGCLKSJQSA-N -1 1 384.469 1.925 20 0 GDADMM CC(=O)CCCC(=O)NC1CC2(C1)CC(Nc1cncc(-c3nnn[n-]3)n1)C2 ZINC001573376509 947837943 /nfs/dbraw/zinc/83/79/43/947837943.db2.gz WETLYVHDPMLDHQ-UHFFFAOYSA-N -1 1 384.444 1.255 20 0 GDADMM CC(=O)CCCC(=O)NC1CC2(C1)CC(Nc1cncc(-c3nn[n-]n3)n1)C2 ZINC001573376509 947837948 /nfs/dbraw/zinc/83/79/48/947837948.db2.gz WETLYVHDPMLDHQ-UHFFFAOYSA-N -1 1 384.444 1.255 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cccc(F)c1 ZINC001573640593 947853305 /nfs/dbraw/zinc/85/33/05/947853305.db2.gz IIWLDGQADJHFTF-BXUZGUMPSA-N -1 1 382.403 1.612 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cccc(F)c1 ZINC001573640593 947853312 /nfs/dbraw/zinc/85/33/12/947853312.db2.gz IIWLDGQADJHFTF-BXUZGUMPSA-N -1 1 382.403 1.612 20 0 GDADMM C[C@@H](C(=O)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)c1ccccc1F ZINC001573642178 947859360 /nfs/dbraw/zinc/85/93/60/947859360.db2.gz OJNYRSBXOMSBFP-GFCCVEGCSA-N -1 1 382.403 1.248 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](CNc2cncc(-c3nnn[n-]3)n2)[C@H](C)C1)C(F)(F)F ZINC001573647288 947889702 /nfs/dbraw/zinc/88/97/02/947889702.db2.gz HDCTZEYAHCAGCM-KXUCPTDWSA-N -1 1 384.366 1.362 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](CNc2cncc(-c3nn[n-]n3)n2)[C@H](C)C1)C(F)(F)F ZINC001573647288 947889709 /nfs/dbraw/zinc/88/97/09/947889709.db2.gz HDCTZEYAHCAGCM-KXUCPTDWSA-N -1 1 384.366 1.362 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1)C(C)(F)F ZINC001573650724 947912990 /nfs/dbraw/zinc/91/29/90/947912990.db2.gz DGHYEVDSDUZPIY-UTUOFQBUSA-N -1 1 392.414 1.233 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1)C(C)(F)F ZINC001573650724 947912994 /nfs/dbraw/zinc/91/29/94/947912994.db2.gz DGHYEVDSDUZPIY-UTUOFQBUSA-N -1 1 392.414 1.233 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)c1ccsc1 ZINC001573652234 947933910 /nfs/dbraw/zinc/93/39/10/947933910.db2.gz BQZFMODXXKEECL-GWCFXTLKSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)c1ccsc1 ZINC001573652234 947933919 /nfs/dbraw/zinc/93/39/19/947933919.db2.gz BQZFMODXXKEECL-GWCFXTLKSA-N -1 1 384.469 1.829 20 0 GDADMM Cc1[nH]nc(C(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nn[nH]n3)n2)c1[O-] ZINC000826321474 947941716 /nfs/dbraw/zinc/94/17/16/947941716.db2.gz GHAVUXOCGOHKIG-UHFFFAOYSA-N -1 1 385.775 1.695 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@@H]2C(=O)OCc2ccccc2)c1-c1nnn[n-]1 ZINC000826344709 948011263 /nfs/dbraw/zinc/01/12/63/948011263.db2.gz PWZGYOGAJORYEQ-OAHLLOKOSA-N -1 1 396.407 1.440 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@@H]2C(=O)OCc2ccccc2)c1-c1nn[n-]n1 ZINC000826344709 948011271 /nfs/dbraw/zinc/01/12/71/948011271.db2.gz PWZGYOGAJORYEQ-OAHLLOKOSA-N -1 1 396.407 1.440 20 0 GDADMM Cc1onc(CC(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)c1-c1nnn[n-]1 ZINC000826344635 948012462 /nfs/dbraw/zinc/01/24/62/948012462.db2.gz NFAIDOQRPDWXGQ-UHFFFAOYSA-N -1 1 391.432 1.175 20 0 GDADMM Cc1onc(CC(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)c1-c1nn[n-]n1 ZINC000826344635 948012469 /nfs/dbraw/zinc/01/24/69/948012469.db2.gz NFAIDOQRPDWXGQ-UHFFFAOYSA-N -1 1 391.432 1.175 20 0 GDADMM Cc1onc(CC(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)c1-c1nnn[n-]1 ZINC000826345010 948016235 /nfs/dbraw/zinc/01/62/35/948016235.db2.gz ZENXZZVQCOGFJP-ZDUSSCGKSA-N -1 1 397.443 1.387 20 0 GDADMM Cc1onc(CC(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)c1-c1nn[n-]n1 ZINC000826345010 948016242 /nfs/dbraw/zinc/01/62/42/948016242.db2.gz ZENXZZVQCOGFJP-ZDUSSCGKSA-N -1 1 397.443 1.387 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](C)[C@H](O)c2c(F)cccc2Cl)c1-c1nnn[n-]1 ZINC000826345390 948023314 /nfs/dbraw/zinc/02/33/14/948023314.db2.gz KHZRGKCVEHNQCM-ZIDLFYJRSA-N -1 1 394.794 1.736 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](C)[C@H](O)c2c(F)cccc2Cl)c1-c1nn[n-]n1 ZINC000826345390 948023322 /nfs/dbraw/zinc/02/33/22/948023322.db2.gz KHZRGKCVEHNQCM-ZIDLFYJRSA-N -1 1 394.794 1.736 20 0 GDADMM Cc1onc(CC(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2)c1-c1nnn[n-]1 ZINC000826345714 948028498 /nfs/dbraw/zinc/02/84/98/948028498.db2.gz RWDNNMDNTDFEBA-CYBMUJFWSA-N -1 1 399.436 1.246 20 0 GDADMM Cc1onc(CC(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2)c1-c1nn[n-]n1 ZINC000826345714 948028506 /nfs/dbraw/zinc/02/85/06/948028506.db2.gz RWDNNMDNTDFEBA-CYBMUJFWSA-N -1 1 399.436 1.246 20 0 GDADMM C[C@H](C(=O)N[C@]12CCC[C@H]1N(c1nccnc1-c1nnn[n-]1)CC2)C(C)(F)F ZINC001573663179 948032859 /nfs/dbraw/zinc/03/28/59/948032859.db2.gz KCPLMCAIIBAHTQ-AGKHESDQSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H](C(=O)N[C@]12CCC[C@H]1N(c1nccnc1-c1nn[n-]n1)CC2)C(C)(F)F ZINC001573663179 948032866 /nfs/dbraw/zinc/03/28/66/948032866.db2.gz KCPLMCAIIBAHTQ-AGKHESDQSA-N -1 1 392.414 1.566 20 0 GDADMM Cc1onc(CC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)C)c1-c1nnn[n-]1 ZINC000826346443 948041405 /nfs/dbraw/zinc/04/14/05/948041405.db2.gz MLKVVYUOIKCASY-LBPRGKRZSA-N -1 1 393.448 1.371 20 0 GDADMM Cc1onc(CC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)C)c1-c1nn[n-]n1 ZINC000826346443 948041414 /nfs/dbraw/zinc/04/14/14/948041414.db2.gz MLKVVYUOIKCASY-LBPRGKRZSA-N -1 1 393.448 1.371 20 0 GDADMM C[C@H](C(=O)N[C@]12CCC[C@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2)C(C)(F)F ZINC001573664381 948052647 /nfs/dbraw/zinc/05/26/47/948052647.db2.gz UYCKBPBUGGNSPN-HSOHIQCKSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H](C(=O)N[C@]12CCC[C@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2)C(C)(F)F ZINC001573664381 948052657 /nfs/dbraw/zinc/05/26/57/948052657.db2.gz UYCKBPBUGGNSPN-HSOHIQCKSA-N -1 1 392.414 1.566 20 0 GDADMM Cc1onc(CC(=O)NCCNc2ncc(Cl)cc2Cl)c1-c1nnn[n-]1 ZINC000826347486 948056087 /nfs/dbraw/zinc/05/60/87/948056087.db2.gz STWAAZALKPCFQU-UHFFFAOYSA-N -1 1 397.226 1.636 20 0 GDADMM Cc1onc(CC(=O)NCCNc2ncc(Cl)cc2Cl)c1-c1nn[n-]n1 ZINC000826347486 948056096 /nfs/dbraw/zinc/05/60/96/948056096.db2.gz STWAAZALKPCFQU-UHFFFAOYSA-N -1 1 397.226 1.636 20 0 GDADMM Cc1onc(CC(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)c1-c1nnn[n-]1 ZINC000826347667 948057894 /nfs/dbraw/zinc/05/78/94/948057894.db2.gz ZHROPVQNDHBOHI-LBPRGKRZSA-N -1 1 397.222 1.862 20 0 GDADMM Cc1onc(CC(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)c1-c1nn[n-]n1 ZINC000826347667 948057902 /nfs/dbraw/zinc/05/79/02/948057902.db2.gz ZHROPVQNDHBOHI-LBPRGKRZSA-N -1 1 397.222 1.862 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2)C(C)(F)F ZINC001573664566 948058263 /nfs/dbraw/zinc/05/82/63/948058263.db2.gz FVGHOFQJZSDBCB-MNOVXSKESA-N -1 1 392.414 1.423 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2)C(C)(F)F ZINC001573664566 948058271 /nfs/dbraw/zinc/05/82/71/948058271.db2.gz FVGHOFQJZSDBCB-MNOVXSKESA-N -1 1 392.414 1.423 20 0 GDADMM Cc1nnc(-c2cccc(NC(=O)Cc3noc(C)c3-c3nnn[n-]3)c2)n1C ZINC000826348908 948083082 /nfs/dbraw/zinc/08/30/82/948083082.db2.gz LMBDPPNGKDYQEG-UHFFFAOYSA-N -1 1 379.384 1.448 20 0 GDADMM Cc1nnc(-c2cccc(NC(=O)Cc3noc(C)c3-c3nn[n-]n3)c2)n1C ZINC000826348908 948083090 /nfs/dbraw/zinc/08/30/90/948083090.db2.gz LMBDPPNGKDYQEG-UHFFFAOYSA-N -1 1 379.384 1.448 20 0 GDADMM C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573666458 948087292 /nfs/dbraw/zinc/08/72/92/948087292.db2.gz TXYLXMRMPAFRLV-RLAWYHOSSA-N -1 1 384.488 1.955 20 0 GDADMM C[C@@H](C(=O)NC1CC2(C1)CC(Nc1ccnc(-c3nn[n-]n3)n1)C2)C(C)(F)F ZINC001573666433 948087995 /nfs/dbraw/zinc/08/79/95/948087995.db2.gz TUFHAUAVVZYZER-WTKRKHQCSA-N -1 1 392.414 1.209 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)c1ccsc1 ZINC001573667376 948097329 /nfs/dbraw/zinc/09/73/29/948097329.db2.gz ZCNXQTZXBRKNRK-YPMHNXCESA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)c1ccsc1 ZINC001573667376 948097338 /nfs/dbraw/zinc/09/73/38/948097338.db2.gz ZCNXQTZXBRKNRK-YPMHNXCESA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)c1cccs1 ZINC001573670214 948100466 /nfs/dbraw/zinc/10/04/66/948100466.db2.gz ABJVOEOLQKOAJA-LLVKDONJSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)c1cccs1 ZINC001573670214 948100473 /nfs/dbraw/zinc/10/04/73/948100473.db2.gz ABJVOEOLQKOAJA-LLVKDONJSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)c1ccsc1 ZINC001573674644 948119137 /nfs/dbraw/zinc/11/91/37/948119137.db2.gz ORXDCJFGJUTJQC-NSHDSACASA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1)C(C)(F)F ZINC001573675334 948121656 /nfs/dbraw/zinc/12/16/56/948121656.db2.gz PSPCJMTYTCZWIT-NKWVEPMBSA-N -1 1 391.835 1.963 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1)C(C)(F)F ZINC001573675334 948121658 /nfs/dbraw/zinc/12/16/58/948121658.db2.gz PSPCJMTYTCZWIT-NKWVEPMBSA-N -1 1 391.835 1.963 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C)C(F)(F)F ZINC001573676864 948130169 /nfs/dbraw/zinc/13/01/69/948130169.db2.gz AWXGIQXIYXHABY-WPRPVWTQSA-N -1 1 384.366 1.186 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C)C(F)(F)F ZINC001573676864 948130174 /nfs/dbraw/zinc/13/01/74/948130174.db2.gz AWXGIQXIYXHABY-WPRPVWTQSA-N -1 1 384.366 1.186 20 0 GDADMM C[C@@H](C(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1)c1cccnc1 ZINC001573678559 948150515 /nfs/dbraw/zinc/15/05/15/948150515.db2.gz FEHVWKAIGCXPDZ-ABAIWWIYSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@@H](C(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1)c1cccnc1 ZINC001573678559 948150518 /nfs/dbraw/zinc/15/05/18/948150518.db2.gz FEHVWKAIGCXPDZ-ABAIWWIYSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@H](C(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1)c1cccnc1 ZINC001573678561 948151866 /nfs/dbraw/zinc/15/18/66/948151866.db2.gz FEHVWKAIGCXPDZ-NHYWBVRUSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@H](C(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1)c1cccnc1 ZINC001573678561 948151872 /nfs/dbraw/zinc/15/18/72/948151872.db2.gz FEHVWKAIGCXPDZ-NHYWBVRUSA-N -1 1 379.428 1.162 20 0 GDADMM CC(=O)N1CC2(CCN(c3snc(C)c3-c3nn[n-]n3)CC2)[C@H]2COC[C@H]21 ZINC001573427424 948164600 /nfs/dbraw/zinc/16/46/00/948164600.db2.gz YKWCGYZQDGZZJD-QWHCGFSZSA-N -1 1 389.485 1.095 20 0 GDADMM C[C@@H](C(=O)NC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)c1ccccc1)C1CC1 ZINC001573679705 948165888 /nfs/dbraw/zinc/16/58/88/948165888.db2.gz JQTXCIJTUGUGPL-IUODEOHRSA-N -1 1 378.440 1.972 20 0 GDADMM C[C@@H](C(=O)NC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)c1ccccc1)C1CC1 ZINC001573679705 948165894 /nfs/dbraw/zinc/16/58/94/948165894.db2.gz JQTXCIJTUGUGPL-IUODEOHRSA-N -1 1 378.440 1.972 20 0 GDADMM C[C@@H](C(=O)NC[C@H](Nc1nccnc1-c1nnn[n-]1)C1CC1)c1cccnc1 ZINC001573680314 948176843 /nfs/dbraw/zinc/17/68/43/948176843.db2.gz MYJJYBNBSACJQB-RISCZKNCSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@@H](C(=O)NC[C@H](Nc1nccnc1-c1nn[n-]n1)C1CC1)c1cccnc1 ZINC001573680314 948176854 /nfs/dbraw/zinc/17/68/54/948176854.db2.gz MYJJYBNBSACJQB-RISCZKNCSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@@H](C(=O)NC[C@@H](CO)Nc1nc(Cl)c(-c2nnn[n-]2)s1)C1CCC1 ZINC001573680396 948179098 /nfs/dbraw/zinc/17/90/98/948179098.db2.gz NSIXMEXAYOUCRQ-APPZFPTMSA-N -1 1 385.881 1.302 20 0 GDADMM C[C@@H](C(=O)NC[C@@H](CO)Nc1nc(Cl)c(-c2nn[n-]n2)s1)C1CCC1 ZINC001573680396 948179104 /nfs/dbraw/zinc/17/91/04/948179104.db2.gz NSIXMEXAYOUCRQ-APPZFPTMSA-N -1 1 385.881 1.302 20 0 GDADMM CC(=O)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)(c2ccccc2)CC1 ZINC001573432441 948188022 /nfs/dbraw/zinc/18/80/22/948188022.db2.gz BOVZIFDBLOUWBE-UHFFFAOYSA-N -1 1 378.440 1.071 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C)n1cccc1 ZINC001573681104 948195854 /nfs/dbraw/zinc/19/58/54/948195854.db2.gz ULALULBOTZOTCS-QWHCGFSZSA-N -1 1 381.444 1.050 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1)c1ccccc1F ZINC001573692530 948267954 /nfs/dbraw/zinc/26/79/54/948267954.db2.gz QJZKTDAJXYBEHJ-NSHDSACASA-N -1 1 382.403 1.660 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1)c1ccccc1F ZINC001573692530 948267965 /nfs/dbraw/zinc/26/79/65/948267965.db2.gz QJZKTDAJXYBEHJ-NSHDSACASA-N -1 1 382.403 1.660 20 0 GDADMM C[C@@H](C(=O)NCC1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cccs1 ZINC001573696081 948315651 /nfs/dbraw/zinc/31/56/51/948315651.db2.gz KVLPKLKYFCJFMW-VOMCLLRMSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)NCC1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cccs1 ZINC001573696081 948315659 /nfs/dbraw/zinc/31/56/59/948315659.db2.gz KVLPKLKYFCJFMW-VOMCLLRMSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1)C1CCCC1 ZINC001573696571 948329436 /nfs/dbraw/zinc/32/94/36/948329436.db2.gz SFBBAMIKAWWZNF-LBPRGKRZSA-N -1 1 390.513 1.417 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1)C(C)(F)F ZINC001573705343 948397778 /nfs/dbraw/zinc/39/77/78/948397778.db2.gz WAWSGPHSFFTURH-MNOVXSKESA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1)C(C)(F)F ZINC001573705343 948397786 /nfs/dbraw/zinc/39/77/86/948397786.db2.gz WAWSGPHSFFTURH-MNOVXSKESA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCC(C)(C)CN1c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001573705385 948400547 /nfs/dbraw/zinc/40/05/47/948400547.db2.gz WKHZEFNDNSHHIQ-JSGCOSHPSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCC(C)(C)CN1c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001573705385 948400550 /nfs/dbraw/zinc/40/05/50/948400550.db2.gz WKHZEFNDNSHHIQ-JSGCOSHPSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cccs1 ZINC001573707198 948430214 /nfs/dbraw/zinc/43/02/14/948430214.db2.gz NTEKHRSGZPVMCG-RYUDHWBXSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573707198 948430217 /nfs/dbraw/zinc/43/02/17/948430217.db2.gz NTEKHRSGZPVMCG-RYUDHWBXSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccsc1 ZINC001573708173 948444445 /nfs/dbraw/zinc/44/44/45/948444445.db2.gz SDLHTQMSRIWKRG-NWDGAFQWSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccsc1 ZINC001573708173 948444451 /nfs/dbraw/zinc/44/44/51/948444451.db2.gz SDLHTQMSRIWKRG-NWDGAFQWSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@H](C(=O)NCCC1(CNc2cnc(-c3nnn[n-]3)cn2)CC1)c1ccco1 ZINC001573708468 948451543 /nfs/dbraw/zinc/45/15/43/948451543.db2.gz VAWFYKVNUUBJHK-LBPRGKRZSA-N -1 1 382.428 1.752 20 0 GDADMM C[C@H](C(=O)NCCC1(CNc2cnc(-c3nn[n-]n3)cn2)CC1)c1ccco1 ZINC001573708468 948451548 /nfs/dbraw/zinc/45/15/48/948451548.db2.gz VAWFYKVNUUBJHK-LBPRGKRZSA-N -1 1 382.428 1.752 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1snc(Cl)c1-c1nnn[n-]1)n1cccc1 ZINC001573717506 948510446 /nfs/dbraw/zinc/51/04/46/948510446.db2.gz DJLJVRMZRFELEH-SECBINFHSA-N -1 1 380.865 1.592 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1snc(Cl)c1-c1nn[n-]n1)n1cccc1 ZINC001573717506 948510451 /nfs/dbraw/zinc/51/04/51/948510451.db2.gz DJLJVRMZRFELEH-SECBINFHSA-N -1 1 380.865 1.592 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1)c1cc2ccccc2o1 ZINC001573720167 948532498 /nfs/dbraw/zinc/53/24/98/948532498.db2.gz PPNJSVVFCIECNS-GFCCVEGCSA-N -1 1 392.423 1.759 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1)c1cc2ccccc2o1 ZINC001573720167 948532505 /nfs/dbraw/zinc/53/25/05/948532505.db2.gz PPNJSVVFCIECNS-GFCCVEGCSA-N -1 1 392.423 1.759 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1cncc(-c2nnn[n-]2)n1)c1c(F)cccc1F ZINC001573720621 948533852 /nfs/dbraw/zinc/53/38/52/948533852.db2.gz QWHMEYMGXDXCRG-SNVBAGLBSA-N -1 1 388.382 1.291 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1cncc(-c2nn[n-]n2)n1)c1c(F)cccc1F ZINC001573720621 948533857 /nfs/dbraw/zinc/53/38/57/948533857.db2.gz QWHMEYMGXDXCRG-SNVBAGLBSA-N -1 1 388.382 1.291 20 0 GDADMM C[C@@H](C(=O)NCc1ccc2c(c1)CN(c1ccc(-c3nnn[n-]3)nn1)C2)C1CC1 ZINC001573727591 948555323 /nfs/dbraw/zinc/55/53/23/948555323.db2.gz AOJNORSKPBCTEO-GFCCVEGCSA-N -1 1 390.451 1.839 20 0 GDADMM C[C@@H](C(=O)NCc1ccc2c(c1)CN(c1ccc(-c3nn[n-]n3)nn1)C2)C1CC1 ZINC001573727591 948555329 /nfs/dbraw/zinc/55/53/29/948555329.db2.gz AOJNORSKPBCTEO-GFCCVEGCSA-N -1 1 390.451 1.839 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H](C)c1c(F)cccc1F ZINC001573742688 948663279 /nfs/dbraw/zinc/66/32/79/948663279.db2.gz QCPJKKUPAMRVCD-ZJUUUORDSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H](C)c1c(F)cccc1F ZINC001573742688 948663286 /nfs/dbraw/zinc/66/32/86/948663286.db2.gz QCPJKKUPAMRVCD-ZJUUUORDSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CC1)c1ccco1 ZINC001573745741 948675572 /nfs/dbraw/zinc/67/55/72/948675572.db2.gz HQULZJQQEVTJAX-JHJVBQTASA-N -1 1 382.428 1.893 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CC1)c1ccco1 ZINC001573745741 948675578 /nfs/dbraw/zinc/67/55/78/948675578.db2.gz HQULZJQQEVTJAX-JHJVBQTASA-N -1 1 382.428 1.893 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CC1)[C@H]1CCCO1 ZINC001573746897 948688075 /nfs/dbraw/zinc/68/80/75/948688075.db2.gz QLPCUPQAOQRLKK-PWNZVWSESA-N -1 1 386.460 1.311 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CC1)[C@H]1CCCO1 ZINC001573746897 948688080 /nfs/dbraw/zinc/68/80/80/948688080.db2.gz QLPCUPQAOQRLKK-PWNZVWSESA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)c1cccs1 ZINC001573751805 948705551 /nfs/dbraw/zinc/70/55/51/948705551.db2.gz DJZKSVKZDMWKBP-OZWUEAAUSA-N -1 1 382.453 1.073 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)c1cccs1 ZINC001573751805 948705557 /nfs/dbraw/zinc/70/55/57/948705557.db2.gz DJZKSVKZDMWKBP-OZWUEAAUSA-N -1 1 382.453 1.073 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001573753709 948721458 /nfs/dbraw/zinc/72/14/58/948721458.db2.gz XCSGIUKCDKVBCV-VLEAKVRGSA-N -1 1 378.387 1.174 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575222262 948755135 /nfs/dbraw/zinc/75/51/35/948755135.db2.gz HMSZPZACTQCRBZ-SNVBAGLBSA-N -1 1 378.387 1.035 20 0 GDADMM CC(F)(F)C1(C(=O)NC2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)CC1 ZINC001575222772 948758193 /nfs/dbraw/zinc/75/81/93/948758193.db2.gz JMGVNSYJDWRVKH-UHFFFAOYSA-N -1 1 378.387 1.177 20 0 GDADMM CC(F)(F)C1(C(=O)NC2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)CC1 ZINC001575222772 948758198 /nfs/dbraw/zinc/75/81/98/948758198.db2.gz JMGVNSYJDWRVKH-UHFFFAOYSA-N -1 1 378.387 1.177 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccc(C2CC2)cn1 ZINC001574678851 948759615 /nfs/dbraw/zinc/75/96/15/948759615.db2.gz KDYKNFPPGYZVSX-NSHDSACASA-N -1 1 379.428 1.550 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccc(C2CC2)cn1 ZINC001574678851 948759626 /nfs/dbraw/zinc/75/96/26/948759626.db2.gz KDYKNFPPGYZVSX-NSHDSACASA-N -1 1 379.428 1.550 20 0 GDADMM CC(F)(F)CC(=O)N[C@]12CCC[C@@H]1N(c1nccnc1-c1nnn[n-]1)CC2 ZINC001575223354 948763190 /nfs/dbraw/zinc/76/31/90/948763190.db2.gz AJWSYKIGDWRHFW-QFYYESIMSA-N -1 1 378.387 1.320 20 0 GDADMM CC(F)(F)CC(=O)N[C@]12CCC[C@@H]1N(c1nccnc1-c1nn[n-]n1)CC2 ZINC001575223354 948763202 /nfs/dbraw/zinc/76/32/02/948763202.db2.gz AJWSYKIGDWRHFW-QFYYESIMSA-N -1 1 378.387 1.320 20 0 GDADMM CC(F)(F)CC(=O)N1CCCCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575223847 948771641 /nfs/dbraw/zinc/77/16/41/948771641.db2.gz GOONNEZGWQMADT-LLVKDONJSA-N -1 1 380.403 1.885 20 0 GDADMM CC(F)(F)CC(=O)N1CCCCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575223847 948771657 /nfs/dbraw/zinc/77/16/57/948771657.db2.gz GOONNEZGWQMADT-LLVKDONJSA-N -1 1 380.403 1.885 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)C(C)(C)[C@@H]1CCCCO1 ZINC001574679249 948773160 /nfs/dbraw/zinc/77/31/60/948773160.db2.gz RDSFZNNOWRHPRB-JSGCOSHPSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)C(C)(C)[C@@H]1CCCCO1 ZINC001574679249 948773172 /nfs/dbraw/zinc/77/31/72/948773172.db2.gz RDSFZNNOWRHPRB-JSGCOSHPSA-N -1 1 388.476 1.559 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575223919 948774097 /nfs/dbraw/zinc/77/40/97/948774097.db2.gz PIDRMXVHYIWVSP-SNVBAGLBSA-N -1 1 378.387 1.177 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001575223947 948774242 /nfs/dbraw/zinc/77/42/42/948774242.db2.gz QCROMZNZZODAKZ-NSHDSACASA-N -1 1 392.414 1.425 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001575223947 948774254 /nfs/dbraw/zinc/77/42/54/948774254.db2.gz QCROMZNZZODAKZ-NSHDSACASA-N -1 1 392.414 1.425 20 0 GDADMM CC(F)(F)CC(=O)N1CCCCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575224223 948779139 /nfs/dbraw/zinc/77/91/39/948779139.db2.gz KGVFIVNTMBDKSD-NSHDSACASA-N -1 1 380.403 1.885 20 0 GDADMM CC(F)(F)CC(=O)N1CCCCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575224223 948779152 /nfs/dbraw/zinc/77/91/52/948779152.db2.gz KGVFIVNTMBDKSD-NSHDSACASA-N -1 1 380.403 1.885 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)C(C)(C)CC(F)(F)F ZINC001574679397 948781436 /nfs/dbraw/zinc/78/14/36/948781436.db2.gz UTTWWTSOYOUNAE-VIFPVBQESA-N -1 1 386.382 1.942 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)C(C)(C)CC(F)(F)F ZINC001574679397 948781446 /nfs/dbraw/zinc/78/14/46/948781446.db2.gz UTTWWTSOYOUNAE-VIFPVBQESA-N -1 1 386.382 1.942 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H](C)c1cccc(F)c1 ZINC001574679404 948782016 /nfs/dbraw/zinc/78/20/16/948782016.db2.gz UUOYLYKUECNOFP-NEPJUHHUSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)c1cccc(F)c1 ZINC001574679404 948782028 /nfs/dbraw/zinc/78/20/28/948782028.db2.gz UUOYLYKUECNOFP-NEPJUHHUSA-N -1 1 384.419 1.906 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)n1 ZINC001574419594 948787611 /nfs/dbraw/zinc/78/76/11/948787611.db2.gz FYOWKPMJTYIZBQ-TXEJJXNPSA-N -1 1 379.428 1.548 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)n1 ZINC001574419594 948787622 /nfs/dbraw/zinc/78/76/22/948787622.db2.gz FYOWKPMJTYIZBQ-TXEJJXNPSA-N -1 1 379.428 1.548 20 0 GDADMM CC(F)(F)C1(C(=O)NCCN(c2cnc(-c3nnn[n-]3)cn2)C2CC2)CC1 ZINC001575224541 948788944 /nfs/dbraw/zinc/78/89/44/948788944.db2.gz XAYJMEPNRKMGSP-UHFFFAOYSA-N -1 1 378.387 1.177 20 0 GDADMM CC(F)(F)C1(C(=O)NCCN(c2cnc(-c3nn[n-]n3)cn2)C2CC2)CC1 ZINC001575224541 948788960 /nfs/dbraw/zinc/78/89/60/948788960.db2.gz XAYJMEPNRKMGSP-UHFFFAOYSA-N -1 1 378.387 1.177 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575224743 948791773 /nfs/dbraw/zinc/79/17/73/948791773.db2.gz YFRBLLOWSPHNJX-GHMZBOCLSA-N -1 1 392.414 1.789 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575224743 948791783 /nfs/dbraw/zinc/79/17/83/948791783.db2.gz YFRBLLOWSPHNJX-GHMZBOCLSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)CC[C@@H]1CC(C)(C)CO1 ZINC001574680100 948799617 /nfs/dbraw/zinc/79/96/17/948799617.db2.gz DGYRZEZRMITSPP-QWHCGFSZSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)CC[C@@H]1CC(C)(C)CO1 ZINC001574680100 948799633 /nfs/dbraw/zinc/79/96/33/948799633.db2.gz DGYRZEZRMITSPP-QWHCGFSZSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)c1ccccc1C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574420523 948802641 /nfs/dbraw/zinc/80/26/41/948802641.db2.gz WGVDZTMNKXMJDL-CYBMUJFWSA-N -1 1 378.440 1.789 20 0 GDADMM CC(C)c1ccccc1C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574420523 948802666 /nfs/dbraw/zinc/80/26/66/948802666.db2.gz WGVDZTMNKXMJDL-CYBMUJFWSA-N -1 1 378.440 1.789 20 0 GDADMM CC(F)(F)CC(=O)N1CCCCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575225284 948803350 /nfs/dbraw/zinc/80/33/50/948803350.db2.gz YRJJOFSUHGLOKH-LLVKDONJSA-N -1 1 380.403 1.885 20 0 GDADMM CC(F)(F)CC(=O)N1CCCCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575225284 948803366 /nfs/dbraw/zinc/80/33/66/948803366.db2.gz YRJJOFSUHGLOKH-LLVKDONJSA-N -1 1 380.403 1.885 20 0 GDADMM CC(C)[C@H](F)C(=O)NC[C@@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001574080788 948805409 /nfs/dbraw/zinc/80/54/09/948805409.db2.gz NKGHCHJDJSCXNW-RISCZKNCSA-N -1 1 382.465 1.239 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cc(Cl)cn1C ZINC001574680486 948806330 /nfs/dbraw/zinc/80/63/30/948806330.db2.gz HJQQGUVHQQVZNQ-SECBINFHSA-N -1 1 375.824 1.269 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cc(Cl)cn1C ZINC001574680486 948806345 /nfs/dbraw/zinc/80/63/45/948806345.db2.gz HJQQGUVHQQVZNQ-SECBINFHSA-N -1 1 375.824 1.269 20 0 GDADMM CC(F)(F)CC(=O)N1CCC(CCNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575226463 948817205 /nfs/dbraw/zinc/81/72/05/948817205.db2.gz MGBGCZQVBFSFDQ-UHFFFAOYSA-N -1 1 380.403 1.743 20 0 GDADMM CC(F)(F)CC(=O)N1CCC(CCNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575226463 948817222 /nfs/dbraw/zinc/81/72/22/948817222.db2.gz MGBGCZQVBFSFDQ-UHFFFAOYSA-N -1 1 380.403 1.743 20 0 GDADMM CC(C)c1ccoc1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1 ZINC001574421837 948821458 /nfs/dbraw/zinc/82/14/58/948821458.db2.gz RIVNYEDXHRCMRQ-RYUDHWBXSA-N -1 1 380.412 1.476 20 0 GDADMM CC(C)c1ccoc1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1 ZINC001574421837 948821474 /nfs/dbraw/zinc/82/14/74/948821474.db2.gz RIVNYEDXHRCMRQ-RYUDHWBXSA-N -1 1 380.412 1.476 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@@]2(C1)CCCN(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001575226587 948823167 /nfs/dbraw/zinc/82/31/67/948823167.db2.gz NRXLRFFZZAVSCF-KRWDZBQOSA-N -1 1 392.414 1.521 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@@]2(C1)CCCN(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001575226587 948823187 /nfs/dbraw/zinc/82/31/87/948823187.db2.gz NRXLRFFZZAVSCF-KRWDZBQOSA-N -1 1 392.414 1.521 20 0 GDADMM C[C@@H](CNC(=O)CCCc1ccsc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574917811 948827004 /nfs/dbraw/zinc/82/70/04/948827004.db2.gz CETCFOQBHXXGPR-LBPRGKRZSA-N -1 1 386.485 1.682 20 0 GDADMM C[C@@H](CNC(=O)CCCc1ccsc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574917811 948827023 /nfs/dbraw/zinc/82/70/23/948827023.db2.gz CETCFOQBHXXGPR-LBPRGKRZSA-N -1 1 386.485 1.682 20 0 GDADMM C[C@H](CNC(=O)CCCc1cccs1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574918025 948832606 /nfs/dbraw/zinc/83/26/06/948832606.db2.gz FXQVXSAZCXQGNZ-LBPRGKRZSA-N -1 1 386.485 1.327 20 0 GDADMM CC(C)c1ccoc1C(=O)NCCN(c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001574422052 948833238 /nfs/dbraw/zinc/83/32/38/948833238.db2.gz VVEJXYPSRDTGIB-UHFFFAOYSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1ccoc1C(=O)NCCN(c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001574422052 948833260 /nfs/dbraw/zinc/83/32/60/948833260.db2.gz VVEJXYPSRDTGIB-UHFFFAOYSA-N -1 1 382.428 1.772 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CC[C@H]21 ZINC001575227651 948834016 /nfs/dbraw/zinc/83/40/16/948834016.db2.gz XSRPZUMPFULHMG-DGCLKSJQSA-N -1 1 392.414 1.519 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CC[C@H]21 ZINC001575227651 948834036 /nfs/dbraw/zinc/83/40/36/948834036.db2.gz XSRPZUMPFULHMG-DGCLKSJQSA-N -1 1 392.414 1.519 20 0 GDADMM CC(C)[C@H](F)C(=O)NCC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001574081503 948833993 /nfs/dbraw/zinc/83/39/93/948833993.db2.gz TXXZUVWKTXCWDM-UPJWGTAASA-N -1 1 376.440 1.229 20 0 GDADMM CC(C)[C@H](F)C(=O)NCC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001574081503 948834010 /nfs/dbraw/zinc/83/40/10/948834010.db2.gz TXXZUVWKTXCWDM-UPJWGTAASA-N -1 1 376.440 1.229 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1)C(F)F ZINC001573761509 948845016 /nfs/dbraw/zinc/84/50/16/948845016.db2.gz JEROVYKMYWSSEC-SNVBAGLBSA-N -1 1 380.403 1.020 20 0 GDADMM CC(F)(F)CC(=O)NCc1ccc(CNc2nccnc2-c2nnn[n-]2)cc1 ZINC001575229479 948846967 /nfs/dbraw/zinc/84/69/67/948846967.db2.gz JMMRSHMZPLLOKZ-UHFFFAOYSA-N -1 1 388.382 1.930 20 0 GDADMM CC(F)(F)CC(=O)NCc1ccc(CNc2nccnc2-c2nn[n-]n2)cc1 ZINC001575229479 948846982 /nfs/dbraw/zinc/84/69/82/948846982.db2.gz JMMRSHMZPLLOKZ-UHFFFAOYSA-N -1 1 388.382 1.930 20 0 GDADMM CC(F)(F)CC(=O)NC[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001575229339 948848843 /nfs/dbraw/zinc/84/88/43/948848843.db2.gz IHPPYWQPAKMFSA-ZETCQYMHSA-N -1 1 391.835 1.964 20 0 GDADMM CC(F)(F)CC(=O)NC[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001575229339 948848868 /nfs/dbraw/zinc/84/88/68/948848868.db2.gz IHPPYWQPAKMFSA-ZETCQYMHSA-N -1 1 391.835 1.964 20 0 GDADMM C[C@H](CNC(=O)CCCc1ccsc1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574918526 948849076 /nfs/dbraw/zinc/84/90/76/948849076.db2.gz MMUGXWUBBWGIRN-LBPRGKRZSA-N -1 1 386.485 1.905 20 0 GDADMM C[C@H](CNC(=O)CCCc1ccsc1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574918526 948849091 /nfs/dbraw/zinc/84/90/91/948849091.db2.gz MMUGXWUBBWGIRN-LBPRGKRZSA-N -1 1 386.485 1.905 20 0 GDADMM CC(F)(F)CC(=O)NC[C@@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001575229832 948859261 /nfs/dbraw/zinc/85/92/61/948859261.db2.gz VNTJXNYKYSIHPB-ZETCQYMHSA-N -1 1 391.835 1.964 20 0 GDADMM CC(F)(F)CC(=O)NC[C@@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001575229832 948859285 /nfs/dbraw/zinc/85/92/85/948859285.db2.gz VNTJXNYKYSIHPB-ZETCQYMHSA-N -1 1 391.835 1.964 20 0 GDADMM C[C@@H](CNC(=O)CCCc1cccs1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574918836 948859765 /nfs/dbraw/zinc/85/97/65/948859765.db2.gz RILKTIZLXIPMKE-LBPRGKRZSA-N -1 1 386.485 1.682 20 0 GDADMM C[C@@H](CNC(=O)CCCc1cccs1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574918836 948859784 /nfs/dbraw/zinc/85/97/84/948859784.db2.gz RILKTIZLXIPMKE-LBPRGKRZSA-N -1 1 386.485 1.682 20 0 GDADMM CC(C)(C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573763311 948867837 /nfs/dbraw/zinc/86/78/37/948867837.db2.gz CRUKRJVPZGJYAU-CQSZACIVSA-N -1 1 384.488 1.698 20 0 GDADMM CC(C)(C(=O)N1CCC[C@H]2[C@H]1CCN2c1cnc(-c2nnn[n-]2)cn1)C(F)F ZINC001573763719 948872229 /nfs/dbraw/zinc/87/22/29/948872229.db2.gz GISMSTMHMXLTQK-NWDGAFQWSA-N -1 1 392.414 1.518 20 0 GDADMM CC(C)(C(=O)N1CCC[C@H]2[C@H]1CCN2c1cnc(-c2nn[n-]n2)cn1)C(F)F ZINC001573763719 948872244 /nfs/dbraw/zinc/87/22/44/948872244.db2.gz GISMSTMHMXLTQK-NWDGAFQWSA-N -1 1 392.414 1.518 20 0 GDADMM CC(C)(C(=O)N1CCC[C@@H]2[C@H]1CCN2c1cnc(-c2nnn[n-]2)cn1)C(F)F ZINC001573763721 948873983 /nfs/dbraw/zinc/87/39/83/948873983.db2.gz GISMSTMHMXLTQK-VXGBXAGGSA-N -1 1 392.414 1.518 20 0 GDADMM CC(C)(C(=O)N1CCC[C@@H]2[C@H]1CCN2c1cnc(-c2nn[n-]n2)cn1)C(F)F ZINC001573763721 948874000 /nfs/dbraw/zinc/87/40/00/948874000.db2.gz GISMSTMHMXLTQK-VXGBXAGGSA-N -1 1 392.414 1.518 20 0 GDADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)C[C@H]1CCOC1 ZINC001574684696 948883431 /nfs/dbraw/zinc/88/34/31/948883431.db2.gz KYXCBJNIYHQMPV-DTWKUNHWSA-N -1 1 385.881 1.710 20 0 GDADMM CC(C)(C(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001573764321 948885952 /nfs/dbraw/zinc/88/59/52/948885952.db2.gz MUZPZOLRZZUFBH-HNNXBMFYSA-N -1 1 392.467 1.459 20 0 GDADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)c1n[nH]cc1F ZINC001574684856 948891553 /nfs/dbraw/zinc/89/15/53/948891553.db2.gz NVWJDUMYPIVICL-RXMQYKEDSA-N -1 1 385.816 1.459 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)[C@]12C[C@H]1COC2 ZINC001574684872 948892820 /nfs/dbraw/zinc/89/28/20/948892820.db2.gz OCMOHXXHPILOJW-FZVNPBSJSA-N -1 1 383.865 1.320 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)[C@]12C[C@H]1COC2 ZINC001574684872 948892838 /nfs/dbraw/zinc/89/28/38/948892838.db2.gz OCMOHXXHPILOJW-FZVNPBSJSA-N -1 1 383.865 1.320 20 0 GDADMM CC(F)(F)CCC(=O)N[C@]12CCC[C@@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001575234310 948898631 /nfs/dbraw/zinc/89/86/31/948898631.db2.gz AWTSWPPVVKLXKI-SJCJKPOMSA-N -1 1 392.414 1.710 20 0 GDADMM CC(F)(F)CCC(=O)N[C@]12CCC[C@@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001575234310 948898651 /nfs/dbraw/zinc/89/86/51/948898651.db2.gz AWTSWPPVVKLXKI-SJCJKPOMSA-N -1 1 392.414 1.710 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)[C@H]1CC1(F)F ZINC001574685071 948901018 /nfs/dbraw/zinc/90/10/18/948901018.db2.gz RYZLHXGDDDOZSN-PHDIDXHHSA-N -1 1 377.808 1.939 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)[C@H]1CC1(F)F ZINC001574685071 948901029 /nfs/dbraw/zinc/90/10/29/948901029.db2.gz RYZLHXGDDDOZSN-PHDIDXHHSA-N -1 1 377.808 1.939 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001575234430 948901361 /nfs/dbraw/zinc/90/13/61/948901361.db2.gz CMVJMKBRZPEBLF-QGZVFWFLSA-N -1 1 392.414 1.521 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001575234430 948901375 /nfs/dbraw/zinc/90/13/75/948901375.db2.gz CMVJMKBRZPEBLF-QGZVFWFLSA-N -1 1 392.414 1.521 20 0 GDADMM CC(C)(C(=O)N1CCC[C@@H]2[C@H]1CCN2c1cncc(-c2nnn[n-]2)n1)C(F)F ZINC001573765336 948906495 /nfs/dbraw/zinc/90/64/95/948906495.db2.gz YTWANZYUIPJBLN-VXGBXAGGSA-N -1 1 392.414 1.518 20 0 GDADMM CC(C)(C(=O)N1CCC[C@@H]2[C@H]1CCN2c1cncc(-c2nn[n-]n2)n1)C(F)F ZINC001573765336 948906504 /nfs/dbraw/zinc/90/65/04/948906504.db2.gz YTWANZYUIPJBLN-VXGBXAGGSA-N -1 1 392.414 1.518 20 0 GDADMM CC(C)(C(=O)N1CCO[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)C1CCC1 ZINC001573765545 948913680 /nfs/dbraw/zinc/91/36/80/948913680.db2.gz MZYOWLBJTJCPIZ-ZDUSSCGKSA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)(C(=O)N1CCO[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573765545 948913691 /nfs/dbraw/zinc/91/36/91/948913691.db2.gz MZYOWLBJTJCPIZ-ZDUSSCGKSA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1)C(F)(F)F ZINC001573765746 948925194 /nfs/dbraw/zinc/92/51/94/948925194.db2.gz COWCPWMXARYGKA-IUCAKERBSA-N -1 1 382.350 1.035 20 0 GDADMM CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1)C(F)(F)F ZINC001573765746 948925200 /nfs/dbraw/zinc/92/52/00/948925200.db2.gz COWCPWMXARYGKA-IUCAKERBSA-N -1 1 382.350 1.035 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@H]2[C@@H](CCN2c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575235937 948932295 /nfs/dbraw/zinc/93/22/95/948932295.db2.gz SSNKWCQSDZADPA-AAEUAGOBSA-N -1 1 392.414 1.519 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@H]2[C@@H](CCN2c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575235937 948932304 /nfs/dbraw/zinc/93/23/04/948932304.db2.gz SSNKWCQSDZADPA-AAEUAGOBSA-N -1 1 392.414 1.519 20 0 GDADMM CC(C)c1ncsc1C(=O)N(C)[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001574432505 948936494 /nfs/dbraw/zinc/93/64/94/948936494.db2.gz LQFIXLYUIRKDOD-JTQLQIEISA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)c1ncsc1C(=O)N(C)[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001574432505 948936507 /nfs/dbraw/zinc/93/65/07/948936507.db2.gz LQFIXLYUIRKDOD-JTQLQIEISA-N -1 1 387.473 1.809 20 0 GDADMM CC(F)(F)CCC(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575238353 948950536 /nfs/dbraw/zinc/95/05/36/948950536.db2.gz LBXJYSVPDGFUEO-LLVKDONJSA-N -1 1 380.403 1.425 20 0 GDADMM CC(C)(C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nnn[n-]3)cn1)C2)C(F)F ZINC001573772035 948950920 /nfs/dbraw/zinc/95/09/20/948950920.db2.gz PARQYUUGUHAGLX-AXFHLTTASA-N -1 1 392.414 1.422 20 0 GDADMM CC(C)(C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nn[n-]n3)cn1)C2)C(F)F ZINC001573772035 948950931 /nfs/dbraw/zinc/95/09/31/948950931.db2.gz PARQYUUGUHAGLX-AXFHLTTASA-N -1 1 392.414 1.422 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575238400 948954713 /nfs/dbraw/zinc/95/47/13/948954713.db2.gz MIFNNGCMNYKKQL-MNOVXSKESA-N -1 1 380.403 1.931 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575238400 948954718 /nfs/dbraw/zinc/95/47/18/948954718.db2.gz MIFNNGCMNYKKQL-MNOVXSKESA-N -1 1 380.403 1.931 20 0 GDADMM CC(C)(C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nnn[n-]3)n1)C2)C1CC1 ZINC001573772317 948956305 /nfs/dbraw/zinc/95/63/05/948956305.db2.gz UEGOTMMHRLRVRD-YUTCNCBUSA-N -1 1 382.472 1.566 20 0 GDADMM CC(C)(C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nn[n-]n3)n1)C2)C1CC1 ZINC001573772317 948956317 /nfs/dbraw/zinc/95/63/17/948956317.db2.gz UEGOTMMHRLRVRD-YUTCNCBUSA-N -1 1 382.472 1.566 20 0 GDADMM CC(F)(F)CCC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001575239057 948957299 /nfs/dbraw/zinc/95/72/99/948957299.db2.gz PSKNZJNUZQOEQC-UHFFFAOYSA-N -1 1 380.403 1.355 20 0 GDADMM CC(F)(F)CCC(=O)NCC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575239507 948960189 /nfs/dbraw/zinc/96/01/89/948960189.db2.gz SXSVXHPYNNLPSC-NSHDSACASA-N -1 1 380.403 1.425 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001575239887 948966716 /nfs/dbraw/zinc/96/67/16/948966716.db2.gz XLPSTGYKNBRHJC-TUAOUCFPSA-N -1 1 392.414 1.566 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001575239887 948966728 /nfs/dbraw/zinc/96/67/28/948966728.db2.gz XLPSTGYKNBRHJC-TUAOUCFPSA-N -1 1 392.414 1.566 20 0 GDADMM CC(C)(C(=O)NC1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1)C(F)F ZINC001573773060 948974447 /nfs/dbraw/zinc/97/44/47/948974447.db2.gz ZQGSNDAGRXNQSR-UHFFFAOYSA-N -1 1 380.403 1.787 20 0 GDADMM CC(C)(C(=O)NC1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1)C(F)F ZINC001573773060 948974456 /nfs/dbraw/zinc/97/44/56/948974456.db2.gz ZQGSNDAGRXNQSR-UHFFFAOYSA-N -1 1 380.403 1.787 20 0 GDADMM CC(C)[C@]1(C)C[C@@H]1C(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001574090174 948976800 /nfs/dbraw/zinc/97/68/00/948976800.db2.gz LRTJOASRGREQKF-QJNYJZHLSA-N -1 1 382.472 1.234 20 0 GDADMM CC(C)[C@]1(C)C[C@@H]1C(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001574090174 948976815 /nfs/dbraw/zinc/97/68/15/948976815.db2.gz LRTJOASRGREQKF-QJNYJZHLSA-N -1 1 382.472 1.234 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@H](C)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574434184 948977154 /nfs/dbraw/zinc/97/71/54/948977154.db2.gz YWFJHGMOZPONTB-VHSXEESVSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@H](C)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574434184 948977182 /nfs/dbraw/zinc/97/71/82/948977182.db2.gz YWFJHGMOZPONTB-VHSXEESVSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)(C(=O)NC[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1)c1ccccc1 ZINC001573775004 949026052 /nfs/dbraw/zinc/02/60/52/949026052.db2.gz RNRLZXWQQAIEIQ-HNNXBMFYSA-N -1 1 392.467 1.941 20 0 GDADMM CC(C)(C(=O)NC[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1)c1ccccc1 ZINC001573775004 949026073 /nfs/dbraw/zinc/02/60/73/949026073.db2.gz RNRLZXWQQAIEIQ-HNNXBMFYSA-N -1 1 392.467 1.941 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H](C)Oc1ccccc1 ZINC001574691431 949029213 /nfs/dbraw/zinc/02/92/13/949029213.db2.gz XQEXDQCXKTZQHL-STQMWFEESA-N -1 1 382.428 1.431 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H](C)Oc1ccccc1 ZINC001574691431 949029230 /nfs/dbraw/zinc/02/92/30/949029230.db2.gz XQEXDQCXKTZQHL-STQMWFEESA-N -1 1 382.428 1.431 20 0 GDADMM CC(C)c1nnsc1C(=O)N[C@H](C)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574440493 949029882 /nfs/dbraw/zinc/02/98/82/949029882.db2.gz QGIROQFMZAZFNQ-DTWKUNHWSA-N -1 1 388.461 1.251 20 0 GDADMM CC(C)c1nnsc1C(=O)N[C@H](C)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574440493 949029903 /nfs/dbraw/zinc/02/99/03/949029903.db2.gz QGIROQFMZAZFNQ-DTWKUNHWSA-N -1 1 388.461 1.251 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)c1ncccn1 ZINC001574692661 949034579 /nfs/dbraw/zinc/03/45/79/949034579.db2.gz AFMCZGCBSRQJLO-ZETCQYMHSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)c1ncccn1 ZINC001574692661 949034602 /nfs/dbraw/zinc/03/46/02/949034602.db2.gz AFMCZGCBSRQJLO-ZETCQYMHSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@H](CN(C)C(=O)C(C)(C)CC(F)(F)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574692891 949040830 /nfs/dbraw/zinc/04/08/30/949040830.db2.gz CEVMAFOMDIBAJO-SECBINFHSA-N -1 1 386.382 1.894 20 0 GDADMM C[C@H](CN(C)C(=O)C(C)(C)CC(F)(F)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574692891 949040849 /nfs/dbraw/zinc/04/08/49/949040849.db2.gz CEVMAFOMDIBAJO-SECBINFHSA-N -1 1 386.382 1.894 20 0 GDADMM CC(C)c1occc1C(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574441151 949052981 /nfs/dbraw/zinc/05/29/81/949052981.db2.gz GCGQWXRSJLAJEG-DGCLKSJQSA-N -1 1 382.428 1.946 20 0 GDADMM CC(C)c1occc1C(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574441151 949053003 /nfs/dbraw/zinc/05/30/03/949053003.db2.gz GCGQWXRSJLAJEG-DGCLKSJQSA-N -1 1 382.428 1.946 20 0 GDADMM CC(C)c1occc1C(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001574441757 949074063 /nfs/dbraw/zinc/07/40/63/949074063.db2.gz WCWCFEWIUGYYFG-GFCCVEGCSA-N -1 1 382.428 1.724 20 0 GDADMM CC(C)c1occc1C(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001574441757 949074083 /nfs/dbraw/zinc/07/40/83/949074083.db2.gz WCWCFEWIUGYYFG-GFCCVEGCSA-N -1 1 382.428 1.724 20 0 GDADMM CC(C)[C@@H]1C[C@H](C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)CCO1 ZINC001574092689 949075867 /nfs/dbraw/zinc/07/58/67/949075867.db2.gz PPWZXYCBKATSSZ-DOMZBBRYSA-N -1 1 390.513 1.680 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)Cn1ccnc1 ZINC001574694497 949079923 /nfs/dbraw/zinc/07/99/23/949079923.db2.gz PZFRJFQENVUEGI-QMMMGPOBSA-N -1 1 381.853 1.180 20 0 GDADMM C[C@@H](NC(=O)C1(C(F)(F)F)CCC1)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575249019 949082843 /nfs/dbraw/zinc/08/28/43/949082843.db2.gz ALPXWNVIYNKYKV-RKDXNWHRSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](NC(=O)C1(C(F)(F)F)CCC1)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575249019 949082862 /nfs/dbraw/zinc/08/28/62/949082862.db2.gz ALPXWNVIYNKYKV-RKDXNWHRSA-N -1 1 384.366 1.694 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001574441963 949085236 /nfs/dbraw/zinc/08/52/36/949085236.db2.gz GWCKJTURGIEJMV-GFCCVEGCSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001574441963 949085257 /nfs/dbraw/zinc/08/52/57/949085257.db2.gz GWCKJTURGIEJMV-GFCCVEGCSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1nocc1C(=O)NCCN(c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001574442365 949097379 /nfs/dbraw/zinc/09/73/79/949097379.db2.gz MXOLLCSPUPSBQR-UHFFFAOYSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1nocc1C(=O)NCCN(c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001574442365 949097401 /nfs/dbraw/zinc/09/74/01/949097401.db2.gz MXOLLCSPUPSBQR-UHFFFAOYSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)C(F)F ZINC001573781128 949100494 /nfs/dbraw/zinc/10/04/94/949100494.db2.gz CJUAVSJZPHTNML-VHSXEESVSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)C(F)F ZINC001573781128 949100509 /nfs/dbraw/zinc/10/05/09/949100509.db2.gz CJUAVSJZPHTNML-VHSXEESVSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)c1nocc1C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574442488 949101830 /nfs/dbraw/zinc/10/18/30/949101830.db2.gz PVXJGOMFLIMGIK-UHFFFAOYSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1nocc1C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574442488 949101843 /nfs/dbraw/zinc/10/18/43/949101843.db2.gz PVXJGOMFLIMGIK-UHFFFAOYSA-N -1 1 383.416 1.167 20 0 GDADMM C[C@H](CNC(=O)COC1CCCC1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574930274 949106285 /nfs/dbraw/zinc/10/62/85/949106285.db2.gz KKVNWFJRNVJJMF-MRVPVSSYSA-N -1 1 385.881 1.852 20 0 GDADMM C[C@H](CNC(=O)COC1CCCC1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574930274 949106273 /nfs/dbraw/zinc/10/62/73/949106273.db2.gz KKVNWFJRNVJJMF-MRVPVSSYSA-N -1 1 385.881 1.852 20 0 GDADMM C[C@H](NC(=O)C1(C(F)(F)F)CCC1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575250917 949123168 /nfs/dbraw/zinc/12/31/68/949123168.db2.gz IRXDZQMBQSPENP-IUCAKERBSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@H](NC(=O)C1(C(F)(F)F)CCC1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575250917 949123156 /nfs/dbraw/zinc/12/31/56/949123156.db2.gz IRXDZQMBQSPENP-IUCAKERBSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cc(C(C)(C)C)on1 ZINC001574696238 949124660 /nfs/dbraw/zinc/12/46/60/949124660.db2.gz OFGYUPBMNJIHSC-JTQLQIEISA-N -1 1 385.432 1.563 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cc(C(C)(C)C)on1 ZINC001574696238 949124674 /nfs/dbraw/zinc/12/46/74/949124674.db2.gz OFGYUPBMNJIHSC-JTQLQIEISA-N -1 1 385.432 1.563 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1nccc2occc21 ZINC001574696401 949128720 /nfs/dbraw/zinc/12/87/20/949128720.db2.gz POAXXIJDXIEVCJ-SNVBAGLBSA-N -1 1 379.384 1.418 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1nccc2occc21 ZINC001574696401 949128737 /nfs/dbraw/zinc/12/87/37/949128737.db2.gz POAXXIJDXIEVCJ-SNVBAGLBSA-N -1 1 379.384 1.418 20 0 GDADMM C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001575511555 949130114 /nfs/dbraw/zinc/13/01/14/949130114.db2.gz KDNFYKMTAXLSCB-VIFPVBQESA-N -1 1 392.466 1.409 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cnc2cnccc2c1 ZINC001574696446 949132535 /nfs/dbraw/zinc/13/25/35/949132535.db2.gz QTCUGPACZZMDKP-LLVKDONJSA-N -1 1 390.411 1.220 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cnc2cnccc2c1 ZINC001574696446 949132556 /nfs/dbraw/zinc/13/25/56/949132556.db2.gz QTCUGPACZZMDKP-LLVKDONJSA-N -1 1 390.411 1.220 20 0 GDADMM C[C@@H](NC(=O)C1(C)CCCC1)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575251284 949133857 /nfs/dbraw/zinc/13/38/57/949133857.db2.gz AHYQGPZTSYSIAX-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)C1CCCC1 ZINC001573782992 949136592 /nfs/dbraw/zinc/13/65/92/949136592.db2.gz QVRKKGRAMNIRGK-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573782992 949136596 /nfs/dbraw/zinc/13/65/96/949136596.db2.gz QVRKKGRAMNIRGK-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)[C@H]1CC1(F)F ZINC001574696832 949143606 /nfs/dbraw/zinc/14/36/06/949143606.db2.gz VOGTYVPQFMGKSJ-NTSWFWBYSA-N -1 1 377.808 1.939 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@H]1CC1(F)F ZINC001574696832 949143618 /nfs/dbraw/zinc/14/36/18/949143618.db2.gz VOGTYVPQFMGKSJ-NTSWFWBYSA-N -1 1 377.808 1.939 20 0 GDADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)C1(c2ccccc2)CCC1 ZINC001575251661 949143696 /nfs/dbraw/zinc/14/36/96/949143696.db2.gz BVZNWDNJLZGTTP-KGLIPLIRSA-N -1 1 392.467 1.506 20 0 GDADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H](C)NC(=O)C1(c2ccccc2)CC1 ZINC001575251794 949148160 /nfs/dbraw/zinc/14/81/60/949148160.db2.gz CULYSIHDMYKDKO-OLZOCXBDSA-N -1 1 378.440 1.694 20 0 GDADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)C1(c2ccccc2)CC1 ZINC001575251794 949148173 /nfs/dbraw/zinc/14/81/73/949148173.db2.gz CULYSIHDMYKDKO-OLZOCXBDSA-N -1 1 378.440 1.694 20 0 GDADMM C[C@H](CNC(=O)COc1ccc(F)cc1)CNc1nccnc1-c1nnn[n-]1 ZINC001574934262 949150948 /nfs/dbraw/zinc/15/09/48/949150948.db2.gz DAQZMJPTJZYDJM-LLVKDONJSA-N -1 1 386.391 1.039 20 0 GDADMM C[C@H](CNC(=O)COc1ccc(F)cc1)CNc1nccnc1-c1nn[n-]n1 ZINC001574934262 949150959 /nfs/dbraw/zinc/15/09/59/949150959.db2.gz DAQZMJPTJZYDJM-LLVKDONJSA-N -1 1 386.391 1.039 20 0 GDADMM C[C@H](NC(=O)C(C)(C)c1ccccc1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575252223 949160499 /nfs/dbraw/zinc/16/04/99/949160499.db2.gz PMIYTDHLTJYYKJ-STQMWFEESA-N -1 1 380.456 1.940 20 0 GDADMM C[C@H](NC(=O)C(C)(C)c1ccccc1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575252223 949160485 /nfs/dbraw/zinc/16/04/85/949160485.db2.gz PMIYTDHLTJYYKJ-STQMWFEESA-N -1 1 380.456 1.940 20 0 GDADMM CC(C)c1ocnc1C(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001574447740 949174976 /nfs/dbraw/zinc/17/49/76/949174976.db2.gz ZQAOTZTVWLCXIJ-NSHDSACASA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1ocnc1C(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001574447740 949174992 /nfs/dbraw/zinc/17/49/92/949174992.db2.gz ZQAOTZTVWLCXIJ-NSHDSACASA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cccnc1 ZINC001573787573 949182618 /nfs/dbraw/zinc/18/26/18/949182618.db2.gz XKPJILVAIOGLQW-BETUJISGSA-N -1 1 379.428 1.089 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cccnc1 ZINC001573787573 949182634 /nfs/dbraw/zinc/18/26/34/949182634.db2.gz XKPJILVAIOGLQW-BETUJISGSA-N -1 1 379.428 1.089 20 0 GDADMM C[C@H](NC(=O)C1(C(F)F)CC1)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575253464 949189675 /nfs/dbraw/zinc/18/96/75/949189675.db2.gz UFVDKEOHLMPNRN-QWRGUYRKSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@H](NC(=O)C1(C(F)F)CC1)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575253464 949189681 /nfs/dbraw/zinc/18/96/81/949189681.db2.gz UFVDKEOHLMPNRN-QWRGUYRKSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(F)cc1F)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574935349 949195426 /nfs/dbraw/zinc/19/54/26/949195426.db2.gz AOAKJEXYGURQPE-JTQLQIEISA-N -1 1 388.382 1.119 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(F)cc1F)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574935349 949195447 /nfs/dbraw/zinc/19/54/47/949195447.db2.gz AOAKJEXYGURQPE-JTQLQIEISA-N -1 1 388.382 1.119 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(Cl)cc1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574936759 949214826 /nfs/dbraw/zinc/21/48/26/949214826.db2.gz KOBHMIIPTMZPNM-NSHDSACASA-N -1 1 386.847 1.717 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(Cl)cc1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574936759 949214847 /nfs/dbraw/zinc/21/48/47/949214847.db2.gz KOBHMIIPTMZPNM-NSHDSACASA-N -1 1 386.847 1.717 20 0 GDADMM CC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)CCn2cccc2)CC1 ZINC001575853576 949216148 /nfs/dbraw/zinc/21/61/48/949216148.db2.gz TWSPSOJVHYFLOC-UHFFFAOYSA-N -1 1 381.444 1.342 20 0 GDADMM CC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)CCn2cccc2)CC1 ZINC001575853576 949216168 /nfs/dbraw/zinc/21/61/68/949216168.db2.gz TWSPSOJVHYFLOC-UHFFFAOYSA-N -1 1 381.444 1.342 20 0 GDADMM CC1(Nc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001575853591 949221004 /nfs/dbraw/zinc/22/10/04/949221004.db2.gz UNMJKTFLODRWQI-MJBXVCDLSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(Nc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001575853591 949221029 /nfs/dbraw/zinc/22/10/29/949221029.db2.gz UNMJKTFLODRWQI-MJBXVCDLSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(Nc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)C[C@@H]2CCCCO2)CC1 ZINC001575854030 949223268 /nfs/dbraw/zinc/22/32/68/949223268.db2.gz YSZCVNLMSVCDQI-ZDUSSCGKSA-N -1 1 386.460 1.409 20 0 GDADMM CC1(Nc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)C[C@@H]2CCCCO2)CC1 ZINC001575854030 949223283 /nfs/dbraw/zinc/22/32/83/949223283.db2.gz YSZCVNLMSVCDQI-ZDUSSCGKSA-N -1 1 386.460 1.409 20 0 GDADMM CC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)[C@@H]2CCC(F)(F)C2)CC1 ZINC001575853949 949223319 /nfs/dbraw/zinc/22/33/19/949223319.db2.gz PGUNSHLQIWRHKZ-LLVKDONJSA-N -1 1 392.414 1.885 20 0 GDADMM CC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)[C@@H]2CCC(F)(F)C2)CC1 ZINC001575853949 949223336 /nfs/dbraw/zinc/22/33/36/949223336.db2.gz PGUNSHLQIWRHKZ-LLVKDONJSA-N -1 1 392.414 1.885 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(Cl)c(F)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574937672 949229403 /nfs/dbraw/zinc/22/94/03/949229403.db2.gz PLRBFHNUAOXKRQ-VIFPVBQESA-N -1 1 390.810 1.609 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(Cl)c(F)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574937672 949229427 /nfs/dbraw/zinc/22/94/27/949229427.db2.gz PLRBFHNUAOXKRQ-VIFPVBQESA-N -1 1 390.810 1.609 20 0 GDADMM C[C@@H](c1ccccc1F)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1=O ZINC001575517343 949229961 /nfs/dbraw/zinc/22/99/61/949229961.db2.gz VDLXJHHQYXEYTQ-SMDDNHRTSA-N -1 1 382.403 1.382 20 0 GDADMM CC(C)c1scnc1C(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574451407 949231995 /nfs/dbraw/zinc/23/19/95/949231995.db2.gz PIGGHUGPXHEJFS-JTQLQIEISA-N -1 1 387.473 1.491 20 0 GDADMM CC(C)c1scnc1C(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574451407 949232023 /nfs/dbraw/zinc/23/20/23/949232023.db2.gz PIGGHUGPXHEJFS-JTQLQIEISA-N -1 1 387.473 1.491 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H](F)Cc1ccccc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574699479 949239351 /nfs/dbraw/zinc/23/93/51/949239351.db2.gz VICMCJXXBBVTAH-OCCSQVGLSA-N -1 1 384.419 1.496 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H](F)Cc1ccccc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574699479 949239371 /nfs/dbraw/zinc/23/93/71/949239371.db2.gz VICMCJXXBBVTAH-OCCSQVGLSA-N -1 1 384.419 1.496 20 0 GDADMM CC(C)CC(=O)N1CCCC[C@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001574106143 949272526 /nfs/dbraw/zinc/27/25/26/949272526.db2.gz FROQGLFMCCFZNK-LJQANCHMSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@H]1CCC[C@]1(C)C(=O)N1CCC(N(C)c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576153172 949281792 /nfs/dbraw/zinc/28/17/92/949281792.db2.gz LDHWUVWIFSPEFJ-DJJJIMSYSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CCC[C@]1(C)C(=O)N1CCC(N(C)c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576153172 949281811 /nfs/dbraw/zinc/28/18/11/949281811.db2.gz LDHWUVWIFSPEFJ-DJJJIMSYSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](NC(=O)C1=COCCC1)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575257931 949286574 /nfs/dbraw/zinc/28/65/74/949286574.db2.gz CVNPTCZPVKUORA-CHWSQXEVSA-N -1 1 384.444 1.072 20 0 GDADMM C[C@@H](NC(=O)C1=COCCC1)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575257931 949286596 /nfs/dbraw/zinc/28/65/96/949286596.db2.gz CVNPTCZPVKUORA-CHWSQXEVSA-N -1 1 384.444 1.072 20 0 GDADMM C[C@@H](NC(=O)C1=COCCO1)[C@@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001575258051 949287551 /nfs/dbraw/zinc/28/75/51/949287551.db2.gz DJPYRMROCXAHTN-RNFRBKRXSA-N -1 1 385.837 1.170 20 0 GDADMM C[C@@H](NC(=O)C1=COCCO1)[C@@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575258051 949287568 /nfs/dbraw/zinc/28/75/68/949287568.db2.gz DJPYRMROCXAHTN-RNFRBKRXSA-N -1 1 385.837 1.170 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccoc1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574941223 949294634 /nfs/dbraw/zinc/29/46/34/949294634.db2.gz BXEHDAVWWYJLAC-QMMMGPOBSA-N -1 1 381.849 1.753 20 0 GDADMM CC(C)n1cc(C(=O)NC[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001574454973 949296742 /nfs/dbraw/zinc/29/67/42/949296742.db2.gz JWFZJJLMIVQRMS-AULYBMBSSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cc(C(=O)NC[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001574454973 949296767 /nfs/dbraw/zinc/29/67/67/949296767.db2.gz JWFZJJLMIVQRMS-AULYBMBSSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)CC(=O)N1CCC2(CC1)CCN(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001574108539 949299521 /nfs/dbraw/zinc/29/95/21/949299521.db2.gz PMXQOUOTRAXEMS-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)CC(=O)N1CCC2(CC1)CCN(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001574108539 949299542 /nfs/dbraw/zinc/29/95/42/949299542.db2.gz PMXQOUOTRAXEMS-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@]1(C)CCOC1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574702888 949300230 /nfs/dbraw/zinc/30/02/30/949300230.db2.gz NKOVUXZBBFKEQB-CLAHSXSESA-N -1 1 385.881 1.662 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@]1(C)CCOC1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574702888 949300256 /nfs/dbraw/zinc/30/02/56/949300256.db2.gz NKOVUXZBBFKEQB-CLAHSXSESA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H]1CCC[C@@H]1CC(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001576153808 949303094 /nfs/dbraw/zinc/30/30/94/949303094.db2.gz BIQWYBVFEFHHCV-TUVASFSCSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H]1CCC[C@@H]1CC(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001576153808 949303117 /nfs/dbraw/zinc/30/31/17/949303117.db2.gz BIQWYBVFEFHHCV-TUVASFSCSA-N -1 1 382.472 1.378 20 0 GDADMM CC(C)n1ccc(C(=O)N2CC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001574457141 949314397 /nfs/dbraw/zinc/31/43/97/949314397.db2.gz ANRQUTDOPUNYKQ-GFCCVEGCSA-N -1 1 382.432 1.008 20 0 GDADMM CC(C)n1ccc(C(=O)N2CC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001574457141 949314419 /nfs/dbraw/zinc/31/44/19/949314419.db2.gz ANRQUTDOPUNYKQ-GFCCVEGCSA-N -1 1 382.432 1.008 20 0 GDADMM CC(C)(C)C(=O)N1C[C@@H]2CN(c3nc(-c4nn[n-]n4)c(Cl)s3)C[C@@H]2C1 ZINC001573795306 949322921 /nfs/dbraw/zinc/32/29/21/949322921.db2.gz LTBSUKWHLWTQIB-DTORHVGOSA-N -1 1 381.893 1.917 20 0 GDADMM CC(C)n1ccc(C(=O)N2CC[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001574457303 949323912 /nfs/dbraw/zinc/32/39/12/949323912.db2.gz FUSHMRULEGRZQO-LBPRGKRZSA-N -1 1 382.432 1.008 20 0 GDADMM CC(C)n1ccc(C(=O)N2CC[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001574457303 949323934 /nfs/dbraw/zinc/32/39/34/949323934.db2.gz FUSHMRULEGRZQO-LBPRGKRZSA-N -1 1 382.432 1.008 20 0 GDADMM C[C@H](NC(=O)C1=COCCC1)[C@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001575259191 949324183 /nfs/dbraw/zinc/32/41/83/949324183.db2.gz NMQWPECRKMHULE-YUMQZZPRSA-N -1 1 383.865 1.976 20 0 GDADMM C[C@H](NC(=O)C1=COCCC1)[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575259191 949324208 /nfs/dbraw/zinc/32/42/08/949324208.db2.gz NMQWPECRKMHULE-YUMQZZPRSA-N -1 1 383.865 1.976 20 0 GDADMM CC(C)n1ccc(C(=O)NC[C@H]2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)n1 ZINC001574457373 949325895 /nfs/dbraw/zinc/32/58/95/949325895.db2.gz JIKGBAPIBACXFP-QWHCGFSZSA-N -1 1 396.459 1.445 20 0 GDADMM CC(C)n1ccc(C(=O)NC[C@H]2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)n1 ZINC001574457373 949325917 /nfs/dbraw/zinc/32/59/17/949325917.db2.gz JIKGBAPIBACXFP-QWHCGFSZSA-N -1 1 396.459 1.445 20 0 GDADMM C[C@H]1CCC[C@@]1(C)C(=O)N1CCC(N(C)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576154232 949326358 /nfs/dbraw/zinc/32/63/58/949326358.db2.gz OGOJMZWYJAKWGC-ORAYPTAESA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](NC(=O)C1CCC(F)(F)CC1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575259427 949330070 /nfs/dbraw/zinc/33/00/70/949330070.db2.gz OGBUYUKDZFVUPM-VHSXEESVSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@@H](NC(=O)C1CCC(F)(F)CC1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575259427 949330086 /nfs/dbraw/zinc/33/00/86/949330086.db2.gz OGBUYUKDZFVUPM-VHSXEESVSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@@H](CN(C)C(=O)C1(c2ccccn2)CC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574703510 949333970 /nfs/dbraw/zinc/33/39/70/949333970.db2.gz VYFWNMGKFBHLDQ-LBPRGKRZSA-N -1 1 379.428 1.042 20 0 GDADMM C[C@@H](CN(C)C(=O)C1(c2ccccn2)CC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574703510 949333994 /nfs/dbraw/zinc/33/39/94/949333994.db2.gz VYFWNMGKFBHLDQ-LBPRGKRZSA-N -1 1 379.428 1.042 20 0 GDADMM CC1=C(C)C[C@@H](C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001575862140 949339703 /nfs/dbraw/zinc/33/97/03/949339703.db2.gz XWXVDNCSCRNJIJ-LSDHHAIUSA-N -1 1 382.472 1.878 20 0 GDADMM CC1=C(C)C[C@@H](C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001575862140 949339724 /nfs/dbraw/zinc/33/97/24/949339724.db2.gz XWXVDNCSCRNJIJ-LSDHHAIUSA-N -1 1 382.472 1.878 20 0 GDADMM C[C@@H]1CCC[C@@H]1CC(=O)NC1(C)CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001576154563 949347409 /nfs/dbraw/zinc/34/74/09/949347409.db2.gz DWTVCJNIQJQVMR-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCC[C@@H]1CC(=O)NC1(C)CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001576154563 949347426 /nfs/dbraw/zinc/34/74/26/949347426.db2.gz DWTVCJNIQJQVMR-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc[nH]1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574942335 949348383 /nfs/dbraw/zinc/34/83/83/949348383.db2.gz YOTFIXWNXSFMLH-MRVPVSSYSA-N -1 1 380.865 1.488 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(C2CC2)c1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574942306 949350710 /nfs/dbraw/zinc/35/07/10/949350710.db2.gz YDKARYXHRZRCRZ-ZDUSSCGKSA-N -1 1 392.467 1.718 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(C2CC2)c1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574942306 949350728 /nfs/dbraw/zinc/35/07/28/949350728.db2.gz YDKARYXHRZRCRZ-ZDUSSCGKSA-N -1 1 392.467 1.718 20 0 GDADMM C[C@H](CNC(=O)Cc1ccoc1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574942479 949358325 /nfs/dbraw/zinc/35/83/25/949358325.db2.gz PJECNHMRFLWJJD-MRVPVSSYSA-N -1 1 381.849 1.977 20 0 GDADMM C[C@H](CNC(=O)Cc1ccoc1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574942479 949358342 /nfs/dbraw/zinc/35/83/42/949358342.db2.gz PJECNHMRFLWJJD-MRVPVSSYSA-N -1 1 381.849 1.977 20 0 GDADMM CC(C)(C)C(=O)N[C@H]1COC2(CN(Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001573799083 949362528 /nfs/dbraw/zinc/36/25/28/949362528.db2.gz JZQINBHQOMPONN-LLVKDONJSA-N -1 1 376.486 1.434 20 0 GDADMM CC1(C(=O)N(CCNc2ccc(-c3nnn[n-]3)nn2)CCc2ccccc2)CC1 ZINC001575526331 949367722 /nfs/dbraw/zinc/36/77/22/949367722.db2.gz XOBLTOFRWVDFGX-UHFFFAOYSA-N -1 1 392.467 1.940 20 0 GDADMM CC1(C(=O)N(CCNc2ccc(-c3nn[n-]n3)nn2)CCc2ccccc2)CC1 ZINC001575526331 949367750 /nfs/dbraw/zinc/36/77/50/949367750.db2.gz XOBLTOFRWVDFGX-UHFFFAOYSA-N -1 1 392.467 1.940 20 0 GDADMM CC1(C)CN(C(=O)C2(C)CCOCC2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575527842 949383069 /nfs/dbraw/zinc/38/30/69/949383069.db2.gz ICDGUMUOCBJQGC-ZDUSSCGKSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CN(C(=O)C2(C)CCOCC2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575527842 949383089 /nfs/dbraw/zinc/38/30/89/949383089.db2.gz ICDGUMUOCBJQGC-ZDUSSCGKSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H]1CCCC[C@H]1C(=O)N(C)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001576155272 949393913 /nfs/dbraw/zinc/39/39/13/949393913.db2.gz HNKPZPUBCUQJRY-UKRRQHHQSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCCC[C@H]1C(=O)N(C)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001576155272 949393936 /nfs/dbraw/zinc/39/39/36/949393936.db2.gz HNKPZPUBCUQJRY-UKRRQHHQSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2(C(C)(F)F)CC2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575866089 949394222 /nfs/dbraw/zinc/39/42/22/949394222.db2.gz CRCRLRQSNVWNPB-MNOVXSKESA-N -1 1 392.414 1.566 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2(C(C)(F)F)CC2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575866089 949394245 /nfs/dbraw/zinc/39/42/45/949394245.db2.gz CRCRLRQSNVWNPB-MNOVXSKESA-N -1 1 392.414 1.566 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccn[nH]1 ZINC001576155367 949399943 /nfs/dbraw/zinc/39/99/43/949399943.db2.gz INCCSHDMJKLETN-PIGZYNQJSA-N -1 1 382.432 1.171 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccn[nH]1 ZINC001576155367 949399966 /nfs/dbraw/zinc/39/99/66/949399966.db2.gz INCCSHDMJKLETN-PIGZYNQJSA-N -1 1 382.432 1.171 20 0 GDADMM CC(C)n1cnc(C(=O)N2CCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC001574464155 949399998 /nfs/dbraw/zinc/39/99/98/949399998.db2.gz HKLGSBXAKNWFDK-LBPRGKRZSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1cnc(C(=O)N2CCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC001574464155 949400054 /nfs/dbraw/zinc/40/00/54/949400054.db2.gz HKLGSBXAKNWFDK-LBPRGKRZSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574464576 949414997 /nfs/dbraw/zinc/41/49/97/949414997.db2.gz MUCREGRYROHWOY-GOSISDBHSA-N -1 1 381.444 1.438 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574464576 949415014 /nfs/dbraw/zinc/41/50/14/949415014.db2.gz MUCREGRYROHWOY-GOSISDBHSA-N -1 1 381.444 1.438 20 0 GDADMM C[C@@H]1CCC[C@@H]1CC(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001576155945 949427222 /nfs/dbraw/zinc/42/72/22/949427222.db2.gz KOGXPJMDFQCABC-TUVASFSCSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H]1CCC[C@@H]1CC(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001576155945 949427226 /nfs/dbraw/zinc/42/72/26/949427226.db2.gz KOGXPJMDFQCABC-TUVASFSCSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H](CNC(=O)Cc1csc(C2CC2)n1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574946247 949428100 /nfs/dbraw/zinc/42/81/00/949428100.db2.gz TVZVAIMBTXVBPF-SECBINFHSA-N -1 1 385.457 1.150 20 0 GDADMM C[C@H](CNC(=O)Cc1csc(C2CC2)n1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574946247 949428120 /nfs/dbraw/zinc/42/81/20/949428120.db2.gz TVZVAIMBTXVBPF-SECBINFHSA-N -1 1 385.457 1.150 20 0 GDADMM CC(C)n1cccc1C(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574465118 949429888 /nfs/dbraw/zinc/42/98/88/949429888.db2.gz OMFCHYMXOXRYRR-ZDUSSCGKSA-N -1 1 381.444 1.756 20 0 GDADMM CC(C)n1cccc1C(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574465118 949429908 /nfs/dbraw/zinc/42/99/08/949429908.db2.gz OMFCHYMXOXRYRR-ZDUSSCGKSA-N -1 1 381.444 1.756 20 0 GDADMM CC(C)CC(=O)N[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C[C@@H]1O ZINC001574116578 949429933 /nfs/dbraw/zinc/42/99/33/949429933.db2.gz ARIOQPKHVYVMPE-BDAKNGLRSA-N -1 1 385.881 1.079 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CCCF ZINC001576156175 949431383 /nfs/dbraw/zinc/43/13/83/949431383.db2.gz LWAHSTNACPWUCE-PXAZEXFGSA-N -1 1 376.440 1.883 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CCCF ZINC001576156175 949431401 /nfs/dbraw/zinc/43/14/01/949431401.db2.gz LWAHSTNACPWUCE-PXAZEXFGSA-N -1 1 376.440 1.883 20 0 GDADMM CC(C)n1cnc(C(=O)N(C)CCCN(C)c2cncc(-c3nnn[n-]3)n2)c1 ZINC001574465420 949434544 /nfs/dbraw/zinc/43/45/44/949434544.db2.gz YBPWHIAAGDGSRX-UHFFFAOYSA-N -1 1 384.448 1.033 20 0 GDADMM CC(C)n1cnc(C(=O)N(C)CCCN(C)c2cncc(-c3nn[n-]n3)n2)c1 ZINC001574465420 949434561 /nfs/dbraw/zinc/43/45/61/949434561.db2.gz YBPWHIAAGDGSRX-UHFFFAOYSA-N -1 1 384.448 1.033 20 0 GDADMM CC1(C(=O)N2C[C@@H]3CCC[C@H](Nc4ccnc(-c5nn[n-]n5)n4)[C@H]3C2)CCC1 ZINC001575534904 949434841 /nfs/dbraw/zinc/43/48/41/949434841.db2.gz RXOBOMHENGVKKR-IHRRRGAJSA-N -1 1 382.472 1.308 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001574465681 949444682 /nfs/dbraw/zinc/44/46/82/949444682.db2.gz VVMZSPZHNNCOLV-CYBMUJFWSA-N -1 1 381.444 1.438 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001574465681 949444695 /nfs/dbraw/zinc/44/46/95/949444695.db2.gz VVMZSPZHNNCOLV-CYBMUJFWSA-N -1 1 381.444 1.438 20 0 GDADMM CC(C)n1cccc1C(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574465658 949444888 /nfs/dbraw/zinc/44/48/88/949444888.db2.gz UUNVKFIVNHANJN-CYBMUJFWSA-N -1 1 381.444 1.613 20 0 GDADMM CC(C)n1cccc1C(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574465658 949444904 /nfs/dbraw/zinc/44/49/04/949444904.db2.gz UUNVKFIVNHANJN-CYBMUJFWSA-N -1 1 381.444 1.613 20 0 GDADMM CC(C)n1cccc1C(=O)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574466014 949448508 /nfs/dbraw/zinc/44/85/08/949448508.db2.gz ZVMAMFATGUJUKY-CYBMUJFWSA-N -1 1 381.444 1.613 20 0 GDADMM CC(C)n1cccc1C(=O)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574466014 949448523 /nfs/dbraw/zinc/44/85/23/949448523.db2.gz ZVMAMFATGUJUKY-CYBMUJFWSA-N -1 1 381.444 1.613 20 0 GDADMM CC1(C(=O)N2CCC([C@@H]3CCCN3c3ccnc(-c4nn[n-]n4)n3)CC2)CC1 ZINC001575535617 949452506 /nfs/dbraw/zinc/45/25/06/949452506.db2.gz ZLRCFRZDMHSIMK-AWEZNQCLSA-N -1 1 382.472 1.664 20 0 GDADMM CC(C)n1nccc1C(=O)N1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574468129 949458764 /nfs/dbraw/zinc/45/87/64/949458764.db2.gz LDOOGMRKLYPFHJ-LBPRGKRZSA-N -1 1 382.432 1.008 20 0 GDADMM CC(C)n1nccc1C(=O)N1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574468129 949458786 /nfs/dbraw/zinc/45/87/86/949458786.db2.gz LDOOGMRKLYPFHJ-LBPRGKRZSA-N -1 1 382.432 1.008 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1CCCC(F)(F)C1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574707157 949467073 /nfs/dbraw/zinc/46/70/73/949467073.db2.gz NRWVROCLQMYFIE-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1CCCC(F)(F)C1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574707157 949467083 /nfs/dbraw/zinc/46/70/83/949467083.db2.gz NRWVROCLQMYFIE-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)(C)C(=O)NCc1ccc2c(c1)CN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001573805944 949480785 /nfs/dbraw/zinc/48/07/85/949480785.db2.gz DZHNGMWKLAAWFG-UHFFFAOYSA-N -1 1 378.440 1.839 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cc[nH]c1 ZINC001576157453 949482124 /nfs/dbraw/zinc/48/21/24/949482124.db2.gz QUFUAYVNZDSPPQ-KPZWWZAWSA-N -1 1 381.444 1.776 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cc[nH]c1 ZINC001576157453 949482134 /nfs/dbraw/zinc/48/21/34/949482134.db2.gz QUFUAYVNZDSPPQ-KPZWWZAWSA-N -1 1 381.444 1.776 20 0 GDADMM C[C@@]1(C(=O)N2CC[C@@H](Nc3nc(Cl)c(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575537440 949494681 /nfs/dbraw/zinc/49/46/81/949494681.db2.gz UVRGFUVCJMGPNS-XLKFXECMSA-N -1 1 383.865 1.416 20 0 GDADMM C[C@@]1(C(=O)N2CC[C@@H](Nc3nc(Cl)c(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575537440 949494698 /nfs/dbraw/zinc/49/46/98/949494698.db2.gz UVRGFUVCJMGPNS-XLKFXECMSA-N -1 1 383.865 1.416 20 0 GDADMM CC(C)CC(=O)NC[C@@H]1[C@H]2CN(c3nc(-c4nn[n-]n4)c(Cl)s3)C[C@H]21 ZINC001574121503 949517340 /nfs/dbraw/zinc/51/73/40/949517340.db2.gz RMPJAJPLNUUQER-OWUUHHOZSA-N -1 1 381.893 1.821 20 0 GDADMM C[C@H](CN(C)C(=O)CC(C)(C)C(F)(F)F)Nc1nccnc1-c1nnn[n-]1 ZINC001574710933 949519503 /nfs/dbraw/zinc/51/95/03/949519503.db2.gz CEICJBHPHBBCHM-SECBINFHSA-N -1 1 386.382 1.894 20 0 GDADMM C[C@H](CN(C)C(=O)CC(C)(C)C(F)(F)F)Nc1nccnc1-c1nn[n-]n1 ZINC001574710933 949519514 /nfs/dbraw/zinc/51/95/14/949519514.db2.gz CEICJBHPHBBCHM-SECBINFHSA-N -1 1 386.382 1.894 20 0 GDADMM C[C@@H](CN(C)C(=O)C1CCOCC1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574710968 949524344 /nfs/dbraw/zinc/52/43/44/949524344.db2.gz CRKMXFPDNFQJTG-QMMMGPOBSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@]1(C(=O)N2CCC[C@@H](CCNc3cncc(-c4nnn[n-]4)n3)C2)CCOC1 ZINC001575538694 949526057 /nfs/dbraw/zinc/52/60/57/949526057.db2.gz IYKYWAQZIFREMP-UGSOOPFHSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@]1(C(=O)N2CCC[C@@H](CCNc3cncc(-c4nn[n-]n4)n3)C2)CCOC1 ZINC001575538694 949526073 /nfs/dbraw/zinc/52/60/73/949526073.db2.gz IYKYWAQZIFREMP-UGSOOPFHSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@H]1CCCC[C@H]1OCC(=O)N(C)CCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001576163643 949540708 /nfs/dbraw/zinc/54/07/08/949540708.db2.gz CNJYQALRWSJYIM-DZGCQCFKSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@H]1CCCC[C@H]1OCC(=O)N(C)CCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001576163643 949540727 /nfs/dbraw/zinc/54/07/27/949540727.db2.gz CNJYQALRWSJYIM-DZGCQCFKSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1CCc2cccnc21)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574711543 949541176 /nfs/dbraw/zinc/54/11/76/949541176.db2.gz IVFCJUZLNNBRCQ-YPMHNXCESA-N -1 1 379.428 1.041 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1CCc2cccnc21)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574711543 949541192 /nfs/dbraw/zinc/54/11/92/949541192.db2.gz IVFCJUZLNNBRCQ-YPMHNXCESA-N -1 1 379.428 1.041 20 0 GDADMM CC(C)C[C@H](C(=O)N[C@H](C)CNc1cncc(-c2nnn[n-]2)n1)n1ccnc1 ZINC001574124123 949565505 /nfs/dbraw/zinc/56/55/05/949565505.db2.gz CEIXCTCAHNWNRV-TZMCWYRMSA-N -1 1 384.448 1.057 20 0 GDADMM CC(C)C[C@H](C(=O)N[C@H](C)CNc1cncc(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574124123 949565524 /nfs/dbraw/zinc/56/55/24/949565524.db2.gz CEIXCTCAHNWNRV-TZMCWYRMSA-N -1 1 384.448 1.057 20 0 GDADMM CC1(C(=O)N2CCC[C@@]3(CCN(c4ccc(-c5nnn[n-]5)nn4)C3)C2)CCC1 ZINC001575544934 949590709 /nfs/dbraw/zinc/59/07/09/949590709.db2.gz HUQGGVDELOGDRY-IBGZPJMESA-N -1 1 382.472 1.666 20 0 GDADMM CC1(C(=O)N2CCC[C@@]3(CCN(c4ccc(-c5nn[n-]n5)nn4)C3)C2)CCC1 ZINC001575544934 949590725 /nfs/dbraw/zinc/59/07/25/949590725.db2.gz HUQGGVDELOGDRY-IBGZPJMESA-N -1 1 382.472 1.666 20 0 GDADMM C[C@@H](NC(=O)CCCc1ccccc1)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575270531 949594756 /nfs/dbraw/zinc/59/47/56/949594756.db2.gz DOGQQVGDFFMXCJ-UONOGXRCSA-N -1 1 380.456 1.407 20 0 GDADMM C[C@H](CC(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1)c1ccccc1F ZINC001574476467 949601292 /nfs/dbraw/zinc/60/12/92/949601292.db2.gz CXWAZHAKYYFFLM-GFCCVEGCSA-N -1 1 384.419 1.860 20 0 GDADMM C[C@H](CC(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1)c1ccccc1F ZINC001574476467 949601309 /nfs/dbraw/zinc/60/13/09/949601309.db2.gz CXWAZHAKYYFFLM-GFCCVEGCSA-N -1 1 384.419 1.860 20 0 GDADMM C[C@H](CC(=O)N(C)CCNc1ccnc(-c2nn[n-]n2)n1)c1ccccc1F ZINC001574476819 949618818 /nfs/dbraw/zinc/61/88/18/949618818.db2.gz HKWOJHXSSRKOSN-GFCCVEGCSA-N -1 1 384.419 1.282 20 0 GDADMM C[C@H](NC(=O)CCCc1ccsc1)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575271654 949625113 /nfs/dbraw/zinc/62/51/13/949625113.db2.gz LQXPCBYBVZVLKJ-RYUDHWBXSA-N -1 1 386.485 1.468 20 0 GDADMM CC1(C(=O)N2CCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)CC(F)(F)C1 ZINC001575547490 949626194 /nfs/dbraw/zinc/62/61/94/949626194.db2.gz XMJNWJQANZENEO-SNVBAGLBSA-N -1 1 378.387 1.495 20 0 GDADMM CC1(C(=O)N2CCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)CC(F)(F)C1 ZINC001575547490 949626204 /nfs/dbraw/zinc/62/62/04/949626204.db2.gz XMJNWJQANZENEO-SNVBAGLBSA-N -1 1 378.387 1.495 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)NC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574957712 949628281 /nfs/dbraw/zinc/62/82/81/949628281.db2.gz GODWAALCJWQVGF-ZIAGYGMSSA-N -1 1 380.456 1.476 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)NC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574957712 949628295 /nfs/dbraw/zinc/62/82/95/949628295.db2.gz GODWAALCJWQVGF-ZIAGYGMSSA-N -1 1 380.456 1.476 20 0 GDADMM C[C@@H](NC(=O)CCCC1CCOCC1)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575272300 949636357 /nfs/dbraw/zinc/63/63/57/949636357.db2.gz ORKADXWAZAENOJ-CHWSQXEVSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@@H](NC(=O)CCCC1CCOCC1)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575272300 949636376 /nfs/dbraw/zinc/63/63/76/949636376.db2.gz ORKADXWAZAENOJ-CHWSQXEVSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@@H](CC(=O)N(C)CCNc1nccnc1-c1nnn[n-]1)c1cccc(F)c1 ZINC001574477081 949638640 /nfs/dbraw/zinc/63/86/40/949638640.db2.gz JLCLKHVEGWFBGU-LBPRGKRZSA-N -1 1 384.419 1.860 20 0 GDADMM C[C@@H](CC(=O)N(C)CCNc1nccnc1-c1nn[n-]n1)c1cccc(F)c1 ZINC001574477081 949638656 /nfs/dbraw/zinc/63/86/56/949638656.db2.gz JLCLKHVEGWFBGU-LBPRGKRZSA-N -1 1 384.419 1.860 20 0 GDADMM C[C@H](NC(=O)CCC1CCC1)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575272437 949646133 /nfs/dbraw/zinc/64/61/33/949646133.db2.gz QRUFALZFHZNCLV-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCCN(C(=O)CC(C)(C)O)[C@@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001576168861 949653505 /nfs/dbraw/zinc/65/35/05/949653505.db2.gz WHUKUBSKRHOTTA-GXTWGEPZSA-N -1 1 388.476 1.247 20 0 GDADMM C[C@H]1CCCN(C(=O)CC(C)(C)O)[C@@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001576168861 949653514 /nfs/dbraw/zinc/65/35/14/949653514.db2.gz WHUKUBSKRHOTTA-GXTWGEPZSA-N -1 1 388.476 1.247 20 0 GDADMM C[C@@]1(C(=O)N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)CCc2ccccc21 ZINC001575548077 949655876 /nfs/dbraw/zinc/65/58/76/949655876.db2.gz OSKDMKSSFMSJSV-HXUWFJFHSA-N -1 1 390.451 1.209 20 0 GDADMM C[C@@]1(C(=O)N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)CCc2ccccc21 ZINC001575548077 949655884 /nfs/dbraw/zinc/65/58/84/949655884.db2.gz OSKDMKSSFMSJSV-HXUWFJFHSA-N -1 1 390.451 1.209 20 0 GDADMM C[C@H]1[C@H](NC(=O)CCC(F)(F)F)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575878253 949675211 /nfs/dbraw/zinc/67/52/11/949675211.db2.gz OEDPUIPGNUSGHJ-VHSXEESVSA-N -1 1 384.366 1.473 20 0 GDADMM C[C@H]1[C@H](NC(=O)CCC(F)(F)F)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575878253 949675220 /nfs/dbraw/zinc/67/52/20/949675220.db2.gz OEDPUIPGNUSGHJ-VHSXEESVSA-N -1 1 384.366 1.473 20 0 GDADMM C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1)CC(C)(C)C ZINC001574477731 949676461 /nfs/dbraw/zinc/67/64/61/949676461.db2.gz UMNYAIQYPGRPCR-STQMWFEESA-N -1 1 390.492 1.350 20 0 GDADMM C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1)CC(C)(C)C ZINC001574477731 949676472 /nfs/dbraw/zinc/67/64/72/949676472.db2.gz UMNYAIQYPGRPCR-STQMWFEESA-N -1 1 390.492 1.350 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001574477809 949679420 /nfs/dbraw/zinc/67/94/20/949679420.db2.gz UVMPXULUFSBTDK-KBPBESRZSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574477809 949679436 /nfs/dbraw/zinc/67/94/36/949679436.db2.gz UVMPXULUFSBTDK-KBPBESRZSA-N -1 1 381.444 1.147 20 0 GDADMM CC1(C(=O)N2C[C@@H](c3ccccc3)[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001575552195 949679970 /nfs/dbraw/zinc/67/99/70/949679970.db2.gz CHURQZYYTJAZOG-GOEBONIOSA-N -1 1 390.451 1.863 20 0 GDADMM CC1(C(=O)N2C[C@@H](c3ccccc3)[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575552195 949679986 /nfs/dbraw/zinc/67/99/86/949679986.db2.gz CHURQZYYTJAZOG-GOEBONIOSA-N -1 1 390.451 1.863 20 0 GDADMM C[C@H]1[C@H](NC(=O)COC2CCCC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575878765 949680570 /nfs/dbraw/zinc/68/05/70/949680570.db2.gz OXXCHJVZJXSTLN-GXTWGEPZSA-N -1 1 386.460 1.089 20 0 GDADMM C[C@H]1[C@H](NC(=O)COC2CCCC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575878765 949680582 /nfs/dbraw/zinc/68/05/82/949680582.db2.gz OXXCHJVZJXSTLN-GXTWGEPZSA-N -1 1 386.460 1.089 20 0 GDADMM C[C@H](CC(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCO1 ZINC001574477864 949682276 /nfs/dbraw/zinc/68/22/76/949682276.db2.gz VQUZLYUMRHOYIC-UKRRQHHQSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@H](CC(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCO1 ZINC001574477864 949682291 /nfs/dbraw/zinc/68/22/91/949682291.db2.gz VQUZLYUMRHOYIC-UKRRQHHQSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@H](CC(=O)N(C)C[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001574716389 949692003 /nfs/dbraw/zinc/69/20/03/949692003.db2.gz NWUWOXONKBYHMS-KGLIPLIRSA-N -1 1 380.456 1.531 20 0 GDADMM C[C@H](CC(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccccc1 ZINC001574478106 949700240 /nfs/dbraw/zinc/70/02/40/949700240.db2.gz XSKITDGKVVZRFP-GDBMZVCRSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@H](CC(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccccc1 ZINC001574478106 949700255 /nfs/dbraw/zinc/70/02/55/949700255.db2.gz XSKITDGKVVZRFP-GDBMZVCRSA-N -1 1 392.467 1.888 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C1CCC(O)CC1 ZINC001573817692 949702234 /nfs/dbraw/zinc/70/22/34/949702234.db2.gz ACEOVBIRPSIUJV-YIZWMMSDSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C1CCC(O)CC1 ZINC001573817692 949702248 /nfs/dbraw/zinc/70/22/48/949702248.db2.gz ACEOVBIRPSIUJV-YIZWMMSDSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C1(C)CCOCC1 ZINC001575558077 949730730 /nfs/dbraw/zinc/73/07/30/949730730.db2.gz OGRJWZYVPPMXFU-CYBMUJFWSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C1(C)CCOCC1 ZINC001575558077 949730752 /nfs/dbraw/zinc/73/07/52/949730752.db2.gz OGRJWZYVPPMXFU-CYBMUJFWSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@@H]1CCCN(C(=O)COC(C)(C)C)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576170654 949730857 /nfs/dbraw/zinc/73/08/57/949730857.db2.gz MOFKZSHNMLHEQN-OCCSQVGLSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H]1CCCN(C(=O)COC(C)(C)C)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576170654 949730869 /nfs/dbraw/zinc/73/08/69/949730869.db2.gz MOFKZSHNMLHEQN-OCCSQVGLSA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cc1cccs1 ZINC001573818536 949734430 /nfs/dbraw/zinc/73/44/30/949734430.db2.gz NINPJFPOTRREOC-ZDUSSCGKSA-N -1 1 386.485 1.904 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cc1cccs1 ZINC001573818536 949734438 /nfs/dbraw/zinc/73/44/38/949734438.db2.gz NINPJFPOTRREOC-ZDUSSCGKSA-N -1 1 386.485 1.904 20 0 GDADMM C[C@H](CN(C)C(=O)CC1(C(F)(F)F)CC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574717416 949735887 /nfs/dbraw/zinc/73/58/87/949735887.db2.gz VRTIPXCMBNCFMQ-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](CN(C)C(=O)CC1(C(F)(F)F)CC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574717416 949735903 /nfs/dbraw/zinc/73/59/03/949735903.db2.gz VRTIPXCMBNCFMQ-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@]1(C(=O)N[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C2CCCC2)CCOC1 ZINC001575558497 949741411 /nfs/dbraw/zinc/74/14/11/949741411.db2.gz QEAJGVOAAICLAH-KBXCAEBGSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@]1(C(=O)N[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C2CCCC2)CCOC1 ZINC001575558497 949741423 /nfs/dbraw/zinc/74/14/23/949741423.db2.gz QEAJGVOAAICLAH-KBXCAEBGSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@@H]1CCC(C)(C)CO1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574717723 949741716 /nfs/dbraw/zinc/74/17/16/949741716.db2.gz WQYVVXJIJHEMKN-STQMWFEESA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@@H]1CCC(C)(C)CO1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574717723 949741726 /nfs/dbraw/zinc/74/17/26/949741726.db2.gz WQYVVXJIJHEMKN-STQMWFEESA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C(C)(C)C(F)F ZINC001573819277 949748672 /nfs/dbraw/zinc/74/86/72/949748672.db2.gz SHDCZHOFLZCADR-JTQLQIEISA-N -1 1 382.419 1.891 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C(C)(C)C(F)F ZINC001573819277 949748682 /nfs/dbraw/zinc/74/86/82/949748682.db2.gz SHDCZHOFLZCADR-JTQLQIEISA-N -1 1 382.419 1.891 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C[C@](C)(O)C1CC1 ZINC001573819259 949750838 /nfs/dbraw/zinc/75/08/38/949750838.db2.gz RSXIRHZOPFASFQ-ACJLOTCBSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@](C)(O)C1CC1 ZINC001573819259 949750857 /nfs/dbraw/zinc/75/08/57/949750857.db2.gz RSXIRHZOPFASFQ-ACJLOTCBSA-N -1 1 388.476 1.151 20 0 GDADMM C[C@H]1CCCC[C@@H]1CC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001576171141 949752145 /nfs/dbraw/zinc/75/21/45/949752145.db2.gz OVDIJVMODOXXOA-OJKRMQCYSA-N -1 1 382.472 1.424 20 0 GDADMM C[C@H]1CCCC[C@@H]1CC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001576171141 949752155 /nfs/dbraw/zinc/75/21/55/949752155.db2.gz OVDIJVMODOXXOA-OJKRMQCYSA-N -1 1 382.472 1.424 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C1(CF)CCC1 ZINC001573819305 949755731 /nfs/dbraw/zinc/75/57/31/949755731.db2.gz STYYUKHZVLSVBW-LBPRGKRZSA-N -1 1 376.440 1.739 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C1(CF)CCC1 ZINC001573819305 949755748 /nfs/dbraw/zinc/75/57/48/949755748.db2.gz STYYUKHZVLSVBW-LBPRGKRZSA-N -1 1 376.440 1.739 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@H]1CCCC1(F)F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574718000 949757055 /nfs/dbraw/zinc/75/70/55/949757055.db2.gz YEPRPBIATAEYDG-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@H]1CCCC1(F)F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574718000 949757072 /nfs/dbraw/zinc/75/70/72/949757072.db2.gz YEPRPBIATAEYDG-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1ccco1 ZINC001574481562 949786462 /nfs/dbraw/zinc/78/64/62/949786462.db2.gz RNMMOFKBEOVCTE-QWHCGFSZSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574481562 949786477 /nfs/dbraw/zinc/78/64/77/949786477.db2.gz RNMMOFKBEOVCTE-QWHCGFSZSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@@H](CC(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)C(F)(F)F ZINC001574481543 949787834 /nfs/dbraw/zinc/78/78/34/949787834.db2.gz RFZZELXVWAVESV-VIFPVBQESA-N -1 1 384.366 1.070 20 0 GDADMM C[C@H]1CCCN(C(=O)COCC2CC2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576172042 949793104 /nfs/dbraw/zinc/79/31/04/949793104.db2.gz UIUGJTKZAWPBTA-SWLSCSKDSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H]1CCCN(C(=O)COCC2CC2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576172042 949793124 /nfs/dbraw/zinc/79/31/24/949793124.db2.gz UIUGJTKZAWPBTA-SWLSCSKDSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ccncc1 ZINC001574481813 949805235 /nfs/dbraw/zinc/80/52/35/949805235.db2.gz VUVMRKBGBGVGAD-OCCSQVGLSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ccncc1 ZINC001574481813 949805257 /nfs/dbraw/zinc/80/52/57/949805257.db2.gz VUVMRKBGBGVGAD-OCCSQVGLSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1 ZINC001574481859 949806723 /nfs/dbraw/zinc/80/67/23/949806723.db2.gz WKRPKXCPSUXNSJ-GOEBONIOSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1 ZINC001574481859 949806749 /nfs/dbraw/zinc/80/67/49/949806749.db2.gz WKRPKXCPSUXNSJ-GOEBONIOSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001574481888 949807139 /nfs/dbraw/zinc/80/71/39/949807139.db2.gz XDCOTENDSUCZAS-UONOGXRCSA-N -1 1 384.488 1.555 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cccc(=O)[nH]1 ZINC001573823382 949829909 /nfs/dbraw/zinc/82/99/09/949829909.db2.gz VUHKSQSNXYNTTN-LBPRGKRZSA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cccc(=O)[nH]1 ZINC001573823382 949829935 /nfs/dbraw/zinc/82/99/35/949829935.db2.gz VUHKSQSNXYNTTN-LBPRGKRZSA-N -1 1 383.416 1.014 20 0 GDADMM C[C@H](CN(C)C(=O)CCCc1ccccc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574722189 949829795 /nfs/dbraw/zinc/82/97/95/949829795.db2.gz QWEVWYKQWRWHQJ-CQSZACIVSA-N -1 1 380.456 1.938 20 0 GDADMM C[C@H](CN(C)C(=O)CCCc1ccccc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574722189 949829817 /nfs/dbraw/zinc/82/98/17/949829817.db2.gz QWEVWYKQWRWHQJ-CQSZACIVSA-N -1 1 380.456 1.938 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cc[nH]c(=O)c1 ZINC001573823792 949836944 /nfs/dbraw/zinc/83/69/44/949836944.db2.gz YQEACPPHXPAKEE-NSHDSACASA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cc[nH]c(=O)c1 ZINC001573823792 949836965 /nfs/dbraw/zinc/83/69/65/949836965.db2.gz YQEACPPHXPAKEE-NSHDSACASA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)(C)C1CC(C(=O)N[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573824150 949846798 /nfs/dbraw/zinc/84/67/98/949846798.db2.gz CWNQZQBIUZPOOC-RUXDESIVSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)C1CC(C(=O)N[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573824150 949846820 /nfs/dbraw/zinc/84/68/20/949846820.db2.gz CWNQZQBIUZPOOC-RUXDESIVSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](NC(=O)Cc1c[nH]c2cnccc12)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575283342 949865569 /nfs/dbraw/zinc/86/55/69/949865569.db2.gz OHNOOZAJYBTUKQ-WDEREUQCSA-N -1 1 392.427 1.081 20 0 GDADMM C[C@@H](NC(=O)Cc1c[nH]c2cnccc12)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575283342 949865596 /nfs/dbraw/zinc/86/55/96/949865596.db2.gz OHNOOZAJYBTUKQ-WDEREUQCSA-N -1 1 392.427 1.081 20 0 GDADMM C[C@@H](CC(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1)[C@@H]1CCCO1 ZINC001574484288 949872955 /nfs/dbraw/zinc/87/29/55/949872955.db2.gz XUVGEFOJBJCFCW-ZFWWWQNUSA-N -1 1 390.513 1.778 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccco2)[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576178085 949875329 /nfs/dbraw/zinc/87/53/29/949875329.db2.gz AQLMUERBZFWYGN-JSGCOSHPSA-N -1 1 382.428 1.993 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccco2)[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576178085 949875349 /nfs/dbraw/zinc/87/53/49/949875349.db2.gz AQLMUERBZFWYGN-JSGCOSHPSA-N -1 1 382.428 1.993 20 0 GDADMM CC(C)(C)C12CC(C(=O)N3CC[C@@H](Nc4nccnc4-c4nnn[n-]4)C3)(C1)C2 ZINC001573825427 949877603 /nfs/dbraw/zinc/87/76/03/949877603.db2.gz VFEHRUCFWGKNPQ-PIHIASKNSA-N -1 1 382.472 1.886 20 0 GDADMM CC(C)(C)C12CC(C(=O)N3CC[C@@H](Nc4nccnc4-c4nn[n-]n4)C3)(C1)C2 ZINC001573825427 949877630 /nfs/dbraw/zinc/87/76/30/949877630.db2.gz VFEHRUCFWGKNPQ-PIHIASKNSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@H](CC(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)c1ccccc1 ZINC001574484322 949877749 /nfs/dbraw/zinc/87/77/49/949877749.db2.gz ZBSOFNHYNPZONI-CQSZACIVSA-N -1 1 378.440 1.499 20 0 GDADMM C[C@H](CC(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)c1ccccc1 ZINC001574484322 949877777 /nfs/dbraw/zinc/87/77/77/949877777.db2.gz ZBSOFNHYNPZONI-CQSZACIVSA-N -1 1 378.440 1.499 20 0 GDADMM CC1(C(=O)N[C@@H]2CCC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)CC(F)(F)C1 ZINC001575565208 949879173 /nfs/dbraw/zinc/87/91/73/949879173.db2.gz UTXSHTLOCCZFCJ-GHMZBOCLSA-N -1 1 392.414 1.931 20 0 GDADMM CC1(C(=O)N[C@@H]2CCC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)CC(F)(F)C1 ZINC001575565208 949879185 /nfs/dbraw/zinc/87/91/85/949879185.db2.gz UTXSHTLOCCZFCJ-GHMZBOCLSA-N -1 1 392.414 1.931 20 0 GDADMM C[C@H](NC(=O)COC(C)(C)C)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575283900 949884085 /nfs/dbraw/zinc/88/40/85/949884085.db2.gz QZPMPKHYHUTAFF-STQMWFEESA-N -1 1 388.476 1.193 20 0 GDADMM C[C@H](NC(=O)COC(C)(C)C)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575283900 949884107 /nfs/dbraw/zinc/88/41/07/949884107.db2.gz QZPMPKHYHUTAFF-STQMWFEESA-N -1 1 388.476 1.193 20 0 GDADMM CC1(C(=O)N[C@@H]2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CCOCC1 ZINC001575565974 949886118 /nfs/dbraw/zinc/88/61/18/949886118.db2.gz ZGGPJAMVWGWIMG-CHWSQXEVSA-N -1 1 386.460 1.313 20 0 GDADMM CC1(C(=O)N[C@@H]2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CCOCC1 ZINC001575565974 949886141 /nfs/dbraw/zinc/88/61/41/949886141.db2.gz ZGGPJAMVWGWIMG-CHWSQXEVSA-N -1 1 386.460 1.313 20 0 GDADMM CC1(C(=O)N[C@@H]2CC[C@@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@@H]3C2)CCC1 ZINC001575565955 949889348 /nfs/dbraw/zinc/88/93/48/949889348.db2.gz ZDWLINRCKIDONO-HZSPNIEDSA-N -1 1 382.472 1.568 20 0 GDADMM CC1(C(=O)N[C@@H]2CC[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)CCOCC1 ZINC001575565961 949889893 /nfs/dbraw/zinc/88/98/93/949889893.db2.gz ZEYDHDQLJOALFA-CHWSQXEVSA-N -1 1 386.460 1.170 20 0 GDADMM CC1(C(=O)N[C@@H]2CC[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)CCOCC1 ZINC001575565961 949889917 /nfs/dbraw/zinc/88/99/17/949889917.db2.gz ZEYDHDQLJOALFA-CHWSQXEVSA-N -1 1 386.460 1.170 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574143897 949896640 /nfs/dbraw/zinc/89/66/40/949896640.db2.gz IONAYFYKDWODCI-ZIAGYGMSSA-N -1 1 388.476 1.193 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574143897 949896665 /nfs/dbraw/zinc/89/66/65/949896665.db2.gz IONAYFYKDWODCI-ZIAGYGMSSA-N -1 1 388.476 1.193 20 0 GDADMM CC1(C(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2(C)C)CCCC1 ZINC001575568611 949900751 /nfs/dbraw/zinc/90/07/51/949900751.db2.gz ATSJQBNGUPIUCQ-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2(C)C)CCCC1 ZINC001575568611 949900765 /nfs/dbraw/zinc/90/07/65/949900765.db2.gz ATSJQBNGUPIUCQ-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)Cc1cc(C2CC2)no1 ZINC001575284380 949906740 /nfs/dbraw/zinc/90/67/40/949906740.db2.gz USILHGWYJHAUPG-ZJUUUORDSA-N -1 1 383.416 1.070 20 0 GDADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)Cc1cc(C2CC2)no1 ZINC001575284380 949906755 /nfs/dbraw/zinc/90/67/55/949906755.db2.gz USILHGWYJHAUPG-ZJUUUORDSA-N -1 1 383.416 1.070 20 0 GDADMM C[C@H](CC(=O)N1CCCC[C@@H]1CN(C)c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001574484996 949912689 /nfs/dbraw/zinc/91/26/89/949912689.db2.gz UBEBBCVJGSGVDZ-UKRRQHHQSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](CC(=O)N1CCCC[C@@H]1CN(C)c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001574484996 949912704 /nfs/dbraw/zinc/91/27/04/949912704.db2.gz UBEBBCVJGSGVDZ-UKRRQHHQSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001574485718 949932559 /nfs/dbraw/zinc/93/25/59/949932559.db2.gz ZOIFXLYSXBKSOU-ZJUUUORDSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001574485718 949932577 /nfs/dbraw/zinc/93/25/77/949932577.db2.gz ZOIFXLYSXBKSOU-ZJUUUORDSA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574146566 949943479 /nfs/dbraw/zinc/94/34/79/949943479.db2.gz ZRXLRQKFWWMNAU-AWEZNQCLSA-N -1 1 388.476 1.147 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574146566 949943491 /nfs/dbraw/zinc/94/34/91/949943491.db2.gz ZRXLRQKFWWMNAU-AWEZNQCLSA-N -1 1 388.476 1.147 20 0 GDADMM CC(C)(C)CC(=O)N(CCO)CCNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573829160 949946340 /nfs/dbraw/zinc/94/63/40/949946340.db2.gz WVZNWWORWCJINR-UHFFFAOYSA-N -1 1 387.897 1.646 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccsn2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576180466 949956779 /nfs/dbraw/zinc/95/67/79/949956779.db2.gz IIUKFHFCZRZGGJ-GXFFZTMASA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccsn2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576180466 949956799 /nfs/dbraw/zinc/95/67/99/949956799.db2.gz IIUKFHFCZRZGGJ-GXFFZTMASA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H](CN(C)C(=O)COc1ccccc1F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574727257 949960894 /nfs/dbraw/zinc/96/08/94/949960894.db2.gz QRWXKHDBNYNKTB-NSHDSACASA-N -1 1 386.391 1.134 20 0 GDADMM C[C@@H](CN(C)C(=O)COc1ccccc1F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574727257 949960913 /nfs/dbraw/zinc/96/09/13/949960913.db2.gz QRWXKHDBNYNKTB-NSHDSACASA-N -1 1 386.391 1.134 20 0 GDADMM CC(C)(C)CC(=O)N1CCC[C@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001573829959 949964082 /nfs/dbraw/zinc/96/40/82/949964082.db2.gz FRMSSMWADRFRQG-IBGZPJMESA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)(C)CC(=O)N1CCC[C@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001573829959 949964102 /nfs/dbraw/zinc/96/41/02/949964102.db2.gz FRMSSMWADRFRQG-IBGZPJMESA-N -1 1 384.488 1.912 20 0 GDADMM C[C@H](CC(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1ccco1 ZINC001574489983 949974088 /nfs/dbraw/zinc/97/40/88/949974088.db2.gz MIIXUWAWCYZVNN-YPMHNXCESA-N -1 1 382.428 1.172 20 0 GDADMM C[C@H](CC(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)c1ccco1 ZINC001574490023 949980434 /nfs/dbraw/zinc/98/04/34/949980434.db2.gz NCWMNVHPMOYDCH-YPMHNXCESA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](CC(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)c1ccco1 ZINC001574490023 949980456 /nfs/dbraw/zinc/98/04/56/949980456.db2.gz NCWMNVHPMOYDCH-YPMHNXCESA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](CC(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)C(F)(F)F ZINC001574490291 949983753 /nfs/dbraw/zinc/98/37/53/949983753.db2.gz PHTOZYOJJQSAFP-WCBMZHEXSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](CC(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)C(F)(F)F ZINC001574490291 949983768 /nfs/dbraw/zinc/98/37/68/949983768.db2.gz PHTOZYOJJQSAFP-WCBMZHEXSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1cc(F)ccc1F)Nc1nccnc1-c1nnn[n-]1 ZINC001574728535 949989691 /nfs/dbraw/zinc/98/96/91/949989691.db2.gz CGRZAZPOGIYBBK-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1cc(F)ccc1F)Nc1nccnc1-c1nn[n-]n1 ZINC001574728535 949989711 /nfs/dbraw/zinc/98/97/11/949989711.db2.gz CGRZAZPOGIYBBK-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H](CC(=O)N1C[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1)C1CC1 ZINC001574490518 950000344 /nfs/dbraw/zinc/00/03/44/950000344.db2.gz UBLIXOWTFKIGEK-YUELXQCFSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H](CC(=O)N1C[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1)C1CC1 ZINC001574490518 950000366 /nfs/dbraw/zinc/00/03/66/950000366.db2.gz UBLIXOWTFKIGEK-YUELXQCFSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1)CC(C)(C)C ZINC001574490583 950008007 /nfs/dbraw/zinc/00/80/07/950008007.db2.gz VRJHVCOXGHHCKB-IHRRRGAJSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1)CC(C)(C)C ZINC001574490583 950008032 /nfs/dbraw/zinc/00/80/32/950008032.db2.gz VRJHVCOXGHHCKB-IHRRRGAJSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ccc(Cl)s1)Nc1nccnc1-c1nnn[n-]1 ZINC001574728947 950013198 /nfs/dbraw/zinc/01/31/98/950013198.db2.gz LNHPKAFXJPHKJS-SECBINFHSA-N -1 1 392.876 1.873 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ccc(Cl)s1)Nc1nccnc1-c1nn[n-]n1 ZINC001574728947 950013218 /nfs/dbraw/zinc/01/32/18/950013218.db2.gz LNHPKAFXJPHKJS-SECBINFHSA-N -1 1 392.876 1.873 20 0 GDADMM CC1(C(=O)N[C@@H]2COC3(CN(Cc4ccc(-c5nn[n-]n5)s4)C3)C2)CCC1 ZINC001575574534 950021451 /nfs/dbraw/zinc/02/14/51/950021451.db2.gz VXLUEVPBQSPYIW-LBPRGKRZSA-N -1 1 388.497 1.578 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2ccccc2F)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575891906 950037409 /nfs/dbraw/zinc/03/74/09/950037409.db2.gz PGEPGOMZVLLQDV-FZMZJTMJSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2ccccc2F)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575891906 950037429 /nfs/dbraw/zinc/03/74/29/950037429.db2.gz PGEPGOMZVLLQDV-FZMZJTMJSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2ccc(F)cc2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575891873 950038886 /nfs/dbraw/zinc/03/88/86/950038886.db2.gz ORVMYONGJADNEV-BXUZGUMPSA-N -1 1 382.403 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ZINC001574493921 950146805 /nfs/dbraw/zinc/14/68/05/950146805.db2.gz VHQGPSIJDXDWCV-CQSZACIVSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H](CC(=O)NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)c1ccccc1 ZINC001574493921 950146814 /nfs/dbraw/zinc/14/68/14/950146814.db2.gz VHQGPSIJDXDWCV-CQSZACIVSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2ccoc2Cl)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575898153 950148813 /nfs/dbraw/zinc/14/88/13/950148813.db2.gz QSPMKFSZZZAZCT-MWLCHTKSSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2ccoc2Cl)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575898153 950148819 /nfs/dbraw/zinc/14/88/19/950148819.db2.gz QSPMKFSZZZAZCT-MWLCHTKSSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@@H]1CCN(C(=O)C2CC(F)(F)C2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576185070 950154698 /nfs/dbraw/zinc/15/46/98/950154698.db2.gz ZBCPQMZXTVHBTP-PWSUYJOCSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H]1CCN(C(=O)C2CC(F)(F)C2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576185070 950154708 /nfs/dbraw/zinc/15/47/08/950154708.db2.gz ZBCPQMZXTVHBTP-PWSUYJOCSA-N -1 1 392.414 1.599 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C(C)(C)C(F)F ZINC001574154094 950165596 /nfs/dbraw/zinc/16/55/96/950165596.db2.gz BEARFTKCVIRMIE-JTQLQIEISA-N -1 1 382.419 1.891 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C(C)(C)C(F)F ZINC001574154094 950165615 /nfs/dbraw/zinc/16/56/15/950165615.db2.gz BEARFTKCVIRMIE-JTQLQIEISA-N -1 1 382.419 1.891 20 0 GDADMM CC(C)[C@@H](CNC(=O)C[C@H](C)c1ccco1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574494601 950174181 /nfs/dbraw/zinc/17/41/81/950174181.db2.gz LUAVKGZFICDBDK-GXTWGEPZSA-N -1 1 384.444 1.996 20 0 GDADMM CC(C)[C@@H](CNC(=O)C[C@H](C)c1ccco1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574494601 950174195 /nfs/dbraw/zinc/17/41/95/950174195.db2.gz LUAVKGZFICDBDK-GXTWGEPZSA-N -1 1 384.444 1.996 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2sccc2F)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575900135 950191977 /nfs/dbraw/zinc/19/19/77/950191977.db2.gz CORCSLPMQGKJDN-GXSJLCMTSA-N -1 1 388.432 1.645 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2sccc2F)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575900135 950191988 /nfs/dbraw/zinc/19/19/88/950191988.db2.gz CORCSLPMQGKJDN-GXSJLCMTSA-N -1 1 388.432 1.645 20 0 GDADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001574155479 950192728 /nfs/dbraw/zinc/19/27/28/950192728.db2.gz LXAQDQXBAWBGRL-TTZDDIAXSA-N -1 1 384.488 1.458 20 0 GDADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)Cc1cccs1 ZINC001574156089 950223666 /nfs/dbraw/zinc/22/36/66/950223666.db2.gz WICAGEFIDSUWFU-LBPRGKRZSA-N -1 1 386.485 1.326 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCCN1c1ncccc1-c1nn[nH]n1 ZINC001575901241 950223937 /nfs/dbraw/zinc/22/39/37/950223937.db2.gz MPLXZEWVWDOFBZ-YPMHNXCESA-N -1 1 380.412 1.150 20 0 GDADMM C[C@@H](CN(C)C(=O)c1c(F)cc(F)cc1F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574740239 950225054 /nfs/dbraw/zinc/22/50/54/950225054.db2.gz CMHSNGQXNAYLIU-QMMMGPOBSA-N -1 1 392.345 1.647 20 0 GDADMM C[C@@H](CN(C)C(=O)c1c(F)cc(F)cc1F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574740239 950225076 /nfs/dbraw/zinc/22/50/76/950225076.db2.gz CMHSNGQXNAYLIU-QMMMGPOBSA-N -1 1 392.345 1.647 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCC1)c1ccco1 ZINC001574497704 950238712 /nfs/dbraw/zinc/23/87/12/950238712.db2.gz BGXOPBKFWISZSB-LBPRGKRZSA-N -1 1 382.428 1.894 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCC1)c1ccco1 ZINC001574497704 950238725 /nfs/dbraw/zinc/23/87/25/950238725.db2.gz BGXOPBKFWISZSB-LBPRGKRZSA-N -1 1 382.428 1.894 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCC1)[C@@H]1CCCO1 ZINC001574498182 950263080 /nfs/dbraw/zinc/26/30/80/950263080.db2.gz KWJHTDYXGLJYPG-OLZOCXBDSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCC1)[C@@H]1CCCO1 ZINC001574498182 950263098 /nfs/dbraw/zinc/26/30/98/950263098.db2.gz KWJHTDYXGLJYPG-OLZOCXBDSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](CC(=O)NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001574498335 950268473 /nfs/dbraw/zinc/26/84/73/950268473.db2.gz MMKXJLXQJRYZBB-IDKOKCKLSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](CC(=O)NCC1CC(Nc2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574498335 950268498 /nfs/dbraw/zinc/26/84/98/950268498.db2.gz MMKXJLXQJRYZBB-IDKOKCKLSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H]1CCN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C[C@H]1O ZINC001576192941 950275773 /nfs/dbraw/zinc/27/57/73/950275773.db2.gz RPUAQVAUVRGXLB-GXFFZTMASA-N -1 1 386.391 1.426 20 0 GDADMM C[C@@]1(C(=O)NCCCNc2cncc(-c3nnn[n-]3)n2)CCc2ccccc21 ZINC001575593190 950305270 /nfs/dbraw/zinc/30/52/70/950305270.db2.gz MJCZARJIUPWNHO-LJQANCHMSA-N -1 1 378.440 1.479 20 0 GDADMM C[C@@]1(C(=O)NCCCNc2cncc(-c3nn[n-]n3)n2)CCc2ccccc21 ZINC001575593190 950305289 /nfs/dbraw/zinc/30/52/89/950305289.db2.gz MJCZARJIUPWNHO-LJQANCHMSA-N -1 1 378.440 1.479 20 0 GDADMM CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)NCc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573852914 950311651 /nfs/dbraw/zinc/31/16/51/950311651.db2.gz LBHKWRCNPGDWEU-NSHDSACASA-N -1 1 390.469 1.801 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2coc(-c3nnn[n-]3)c2)[C@H](F)C1 ZINC001573852780 950313911 /nfs/dbraw/zinc/31/39/11/950313911.db2.gz JEOOOLQMJBBTTF-MNOVXSKESA-N -1 1 380.380 1.537 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2coc(-c3nn[n-]n3)c2)[C@H](F)C1 ZINC001573852780 950313931 /nfs/dbraw/zinc/31/39/31/950313931.db2.gz JEOOOLQMJBBTTF-MNOVXSKESA-N -1 1 380.380 1.537 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@H](Cn2c3c(cc(-c4nn[n-]n4)c2=O)CCC3)C1 ZINC001573853162 950316459 /nfs/dbraw/zinc/31/64/59/950316459.db2.gz MJGLXKQGRYPYAC-LBPRGKRZSA-N -1 1 386.456 1.774 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CC[C@H]1CCCO1 ZINC001574159881 950320347 /nfs/dbraw/zinc/32/03/47/950320347.db2.gz ZBPJGFLWRZDTPP-UONOGXRCSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CC[C@H]1CCCO1 ZINC001574159881 950320365 /nfs/dbraw/zinc/32/03/65/950320365.db2.gz ZBPJGFLWRZDTPP-UONOGXRCSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ncccc1F ZINC001574159827 950320905 /nfs/dbraw/zinc/32/09/05/950320905.db2.gz JYDFHUITFYLAER-LLVKDONJSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ncccc1F ZINC001574159827 950320930 /nfs/dbraw/zinc/32/09/30/950320930.db2.gz JYDFHUITFYLAER-LLVKDONJSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H](C)n1cccc1 ZINC001574159834 950322977 /nfs/dbraw/zinc/32/29/77/950322977.db2.gz KGKFDGCFCAZWPY-KGLIPLIRSA-N -1 1 383.460 1.662 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)n1cccc1 ZINC001574159834 950322998 /nfs/dbraw/zinc/32/29/98/950322998.db2.gz KGKFDGCFCAZWPY-KGLIPLIRSA-N -1 1 383.460 1.662 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccccc1O ZINC001574160056 950325626 /nfs/dbraw/zinc/32/56/26/950325626.db2.gz KOVAZGQBYCBRON-GFCCVEGCSA-N -1 1 382.428 1.619 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccccc1O ZINC001574160056 950325640 /nfs/dbraw/zinc/32/56/40/950325640.db2.gz KOVAZGQBYCBRON-GFCCVEGCSA-N -1 1 382.428 1.619 20 0 GDADMM CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)NCc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001573854269 950342238 /nfs/dbraw/zinc/34/22/38/950342238.db2.gz YJMRVIQUUMOYJB-LBPRGKRZSA-N -1 1 385.428 1.135 20 0 GDADMM CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)NCc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001573854269 950342262 /nfs/dbraw/zinc/34/22/62/950342262.db2.gz YJMRVIQUUMOYJB-LBPRGKRZSA-N -1 1 385.428 1.135 20 0 GDADMM CC1(C(=O)NC[C@H]2CN(c3nccnc3-c3nnn[n-]3)CCC2(F)F)CC1 ZINC001575595593 950356390 /nfs/dbraw/zinc/35/63/90/950356390.db2.gz PDYAZCJPKZSJBV-JTQLQIEISA-N -1 1 378.387 1.035 20 0 GDADMM CC1(C(=O)NC[C@H]2CN(c3nccnc3-c3nn[n-]n3)CCC2(F)F)CC1 ZINC001575595593 950356409 /nfs/dbraw/zinc/35/64/09/950356409.db2.gz PDYAZCJPKZSJBV-JTQLQIEISA-N -1 1 378.387 1.035 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)COC1CCCC1 ZINC001574162422 950379477 /nfs/dbraw/zinc/37/94/77/950379477.db2.gz ABKVQZCIIVAWJW-CYBMUJFWSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)COC1CCCC1 ZINC001574162422 950379494 /nfs/dbraw/zinc/37/94/94/950379494.db2.gz ABKVQZCIIVAWJW-CYBMUJFWSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3nnn[n-]3)c2)C[C@H]1CCO ZINC001573857523 950409005 /nfs/dbraw/zinc/40/90/05/950409005.db2.gz UGLLKDUXBKJVIX-CYBMUJFWSA-N -1 1 375.433 1.070 20 0 GDADMM CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3nn[n-]n3)c2)C[C@H]1CCO ZINC001573857523 950409017 /nfs/dbraw/zinc/40/90/17/950409017.db2.gz UGLLKDUXBKJVIX-CYBMUJFWSA-N -1 1 375.433 1.070 20 0 GDADMM CC(C)(C)OC(=O)NCc1ccccc1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001573860397 950421058 /nfs/dbraw/zinc/42/10/58/950421058.db2.gz JENXCBWZQFHKAE-UHFFFAOYSA-N -1 1 384.400 1.867 20 0 GDADMM CC(C)(C)OC(=O)NCc1ccccc1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001573860397 950421070 /nfs/dbraw/zinc/42/10/70/950421070.db2.gz JENXCBWZQFHKAE-UHFFFAOYSA-N -1 1 384.400 1.867 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H](C)n1cccn1 ZINC001574163386 950422674 /nfs/dbraw/zinc/42/26/74/950422674.db2.gz SWWXTZXEOYDRPF-STQMWFEESA-N -1 1 384.448 1.057 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H](C)n1cccn1 ZINC001574163386 950422680 /nfs/dbraw/zinc/42/26/80/950422680.db2.gz SWWXTZXEOYDRPF-STQMWFEESA-N -1 1 384.448 1.057 20 0 GDADMM CC(C)(C)OC(=O)NCC1(C(=O)NCc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001573860624 950425132 /nfs/dbraw/zinc/42/51/32/950425132.db2.gz KATMUKWHKGFWDY-UHFFFAOYSA-N -1 1 378.458 1.849 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)Cc1ccccc1 ZINC001574163443 950429111 /nfs/dbraw/zinc/42/91/11/950429111.db2.gz UUIYTKVFKXXSHK-OAHLLOKOSA-N -1 1 380.456 1.842 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)Cc1ccccc1 ZINC001574163443 950429123 /nfs/dbraw/zinc/42/91/23/950429123.db2.gz UUIYTKVFKXXSHK-OAHLLOKOSA-N -1 1 380.456 1.842 20 0 GDADMM CC(C)(C)OC(=O)N[C@H](CNC(=O)Nc1ccnc(-c2nnn[n-]2)c1)C1CC1 ZINC001573861007 950436060 /nfs/dbraw/zinc/43/60/60/950436060.db2.gz OTDXDCXPIAUPHQ-CYBMUJFWSA-N -1 1 388.432 1.687 20 0 GDADMM CC(C)(C)OC(=O)N[C@H](CNC(=O)Nc1ccnc(-c2nn[n-]n2)c1)C1CC1 ZINC001573861007 950436073 /nfs/dbraw/zinc/43/60/73/950436073.db2.gz OTDXDCXPIAUPHQ-CYBMUJFWSA-N -1 1 388.432 1.687 20 0 GDADMM CC1(C(=O)NCc2ccc3c(c2)CN(c2ccnc(-c4nn[n-]n4)n2)C3)CC1 ZINC001575600179 950436489 /nfs/dbraw/zinc/43/64/89/950436489.db2.gz UOMCJSWAUATSFX-UHFFFAOYSA-N -1 1 376.424 1.593 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)[C@@H]1CCCO1 ZINC001574506464 950439013 /nfs/dbraw/zinc/43/90/13/950439013.db2.gz DXBKVYPIICIRKV-CXTNEJHOSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)[C@@H]1CCCO1 ZINC001574506464 950439030 /nfs/dbraw/zinc/43/90/30/950439030.db2.gz DXBKVYPIICIRKV-CXTNEJHOSA-N -1 1 386.460 1.169 20 0 GDADMM CC1(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2c2ccccc2)CC1 ZINC001575604940 950449735 /nfs/dbraw/zinc/44/97/35/950449735.db2.gz GYQCIUBCGZZVGZ-LSDHHAIUSA-N -1 1 390.451 1.545 20 0 GDADMM CCN(CC)CCN(C(=O)c1coc(/C=C/C(=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC001589724917 950450379 /nfs/dbraw/zinc/45/03/79/950450379.db2.gz PWKXNOHXTJEUEP-NFAHFFEMSA-N -1 1 398.481 1.349 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[C@H](C)c1ccc(F)cc1 ZINC001574507925 950461762 /nfs/dbraw/zinc/46/17/62/950461762.db2.gz KZXWZMOTSZVOEH-RYUDHWBXSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[C@H](C)c1ccc(F)cc1 ZINC001574507925 950461772 /nfs/dbraw/zinc/46/17/72/950461772.db2.gz KZXWZMOTSZVOEH-RYUDHWBXSA-N -1 1 384.419 1.906 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CN(Cc2nc(-c3nnn[n-]3)cs2)CC[C@H]1F ZINC001573862211 950462784 /nfs/dbraw/zinc/46/27/84/950462784.db2.gz PIBRYVKQNVVNQP-NXEZZACHSA-N -1 1 383.453 1.760 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CN(Cc2nc(-c3nn[n-]n3)cs2)CC[C@H]1F ZINC001573862211 950462792 /nfs/dbraw/zinc/46/27/92/950462792.db2.gz PIBRYVKQNVVNQP-NXEZZACHSA-N -1 1 383.453 1.760 20 0 GDADMM C[C@@H](CC(=O)NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1)c1ccco1 ZINC001574508668 950481029 /nfs/dbraw/zinc/48/10/29/950481029.db2.gz LOJCKWSBMGQILE-LBPRGKRZSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C[C@H](C)c1cccc(F)c1 ZINC001574508870 950488559 /nfs/dbraw/zinc/48/85/59/950488559.db2.gz PRMMUAYMOVVDDZ-RYUDHWBXSA-N -1 1 384.419 1.328 20 0 GDADMM C[C@@H](CC(=O)NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1)n1cccc1 ZINC001574509622 950520661 /nfs/dbraw/zinc/52/06/61/950520661.db2.gz TYFZYMZCTADMQN-ZDUSSCGKSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](CC(=O)NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1)n1cccc1 ZINC001574509622 950520679 /nfs/dbraw/zinc/52/06/79/950520679.db2.gz TYFZYMZCTADMQN-ZDUSSCGKSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](CC(=O)NCCN(c1cnc(-c2nnn[n-]2)cn1)C1CC1)n1cccc1 ZINC001574509666 950527889 /nfs/dbraw/zinc/52/78/89/950527889.db2.gz VBRAQPRMTMALGH-ZDUSSCGKSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](CC(=O)NCCN(c1cnc(-c2nn[n-]n2)cn1)C1CC1)n1cccc1 ZINC001574509666 950527902 /nfs/dbraw/zinc/52/79/02/950527902.db2.gz VBRAQPRMTMALGH-ZDUSSCGKSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](CNC(=O)c1cc(C(C)(C)C)on1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574996425 950528727 /nfs/dbraw/zinc/52/87/27/950528727.db2.gz NFYJUQDBSHIANZ-JTQLQIEISA-N -1 1 385.432 1.197 20 0 GDADMM C[C@@H](CNC(=O)c1cc(C(C)(C)C)on1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574996425 950528746 /nfs/dbraw/zinc/52/87/46/950528746.db2.gz NFYJUQDBSHIANZ-JTQLQIEISA-N -1 1 385.432 1.197 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001574509870 950534933 /nfs/dbraw/zinc/53/49/33/950534933.db2.gz ZZDDYKZIDQZASI-MCIONIFRSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001574509870 950534948 /nfs/dbraw/zinc/53/49/48/950534948.db2.gz ZZDDYKZIDQZASI-MCIONIFRSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccco1 ZINC001574509857 950536988 /nfs/dbraw/zinc/53/69/88/950536988.db2.gz ZLRZZGKQEUSVIW-RWMBFGLXSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccco1 ZINC001574509857 950537002 /nfs/dbraw/zinc/53/70/02/950537002.db2.gz ZLRZZGKQEUSVIW-RWMBFGLXSA-N -1 1 382.428 1.750 20 0 GDADMM CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nnn[n-]3)nn2)CCCCC1 ZINC001575614692 950547869 /nfs/dbraw/zinc/54/78/69/950547869.db2.gz MSUOLIJITVLMSV-SNPRPXQTSA-N -1 1 382.472 1.853 20 0 GDADMM CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nn2)CCCCC1 ZINC001575614692 950547883 /nfs/dbraw/zinc/54/78/83/950547883.db2.gz MSUOLIJITVLMSV-SNPRPXQTSA-N -1 1 382.472 1.853 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1CCCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573869266 950561470 /nfs/dbraw/zinc/56/14/70/950561470.db2.gz NLNIZYLGYOXNHS-OLZOCXBDSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1CCCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573869266 950561485 /nfs/dbraw/zinc/56/14/85/950561485.db2.gz NLNIZYLGYOXNHS-OLZOCXBDSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C)n1cccc1 ZINC001574511393 950562005 /nfs/dbraw/zinc/56/20/05/950562005.db2.gz JPTQUTHOMPHPNM-HZSPNIEDSA-N -1 1 381.444 1.050 20 0 GDADMM CC1(C)C(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nnn[n-]3)cn2)C1(C)C ZINC001575615841 950575550 /nfs/dbraw/zinc/57/55/50/950575550.db2.gz JERZQFKAWNTTEF-WZRBSPASSA-N -1 1 382.472 1.565 20 0 GDADMM CC1(C)C(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nn[n-]n3)cn2)C1(C)C ZINC001575615841 950575564 /nfs/dbraw/zinc/57/55/64/950575564.db2.gz JERZQFKAWNTTEF-WZRBSPASSA-N -1 1 382.472 1.565 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccnc(C2CC2)c1 ZINC001575918444 950591933 /nfs/dbraw/zinc/59/19/33/950591933.db2.gz BWOGPFCKGPGTRT-FZMZJTMJSA-N -1 1 391.439 1.644 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccnc(C2CC2)c1 ZINC001575918444 950591954 /nfs/dbraw/zinc/59/19/54/950591954.db2.gz BWOGPFCKGPGTRT-FZMZJTMJSA-N -1 1 391.439 1.644 20 0 GDADMM C[C@H](CN(C)C(=O)c1cccc2c1CCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574758619 950616638 /nfs/dbraw/zinc/61/66/38/950616638.db2.gz FRSXVDXJQYQRKU-GFCCVEGCSA-N -1 1 378.440 1.718 20 0 GDADMM C[C@H](CN(C)C(=O)c1cccc2c1CCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574758619 950616649 /nfs/dbraw/zinc/61/66/49/950616649.db2.gz FRSXVDXJQYQRKU-GFCCVEGCSA-N -1 1 378.440 1.718 20 0 GDADMM CC1(C)C(C(=O)NC[C@@H]2[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]32)C1(C)C ZINC001575619180 950618319 /nfs/dbraw/zinc/61/83/19/950618319.db2.gz NDTOUTZAVUBMRD-CNDDSTCGSA-N -1 1 382.472 1.137 20 0 GDADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(F)cc1F ZINC001575919619 950620477 /nfs/dbraw/zinc/62/04/77/950620477.db2.gz IMDKPOZHSFWTIF-ZANVPECISA-N -1 1 386.366 1.072 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)c1ccccc1 ZINC001574515628 950628052 /nfs/dbraw/zinc/62/80/52/950628052.db2.gz CWDMWGVJRVZPTF-IBWPGLOJSA-N -1 1 390.451 1.401 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)c1ccccc1 ZINC001574515628 950628073 /nfs/dbraw/zinc/62/80/73/950628073.db2.gz CWDMWGVJRVZPTF-IBWPGLOJSA-N -1 1 390.451 1.401 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ccccc1 ZINC001574515664 950628114 /nfs/dbraw/zinc/62/81/14/950628114.db2.gz DDVGVXLJFCVUFU-QEJZJMRPSA-N -1 1 378.440 1.910 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ccccc1 ZINC001574515664 950628137 /nfs/dbraw/zinc/62/81/37/950628137.db2.gz DDVGVXLJFCVUFU-QEJZJMRPSA-N -1 1 378.440 1.910 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1)[C@@H]1CCCO1 ZINC001574515279 950629579 /nfs/dbraw/zinc/62/95/79/950629579.db2.gz CGDRDTLEDTTXKV-XUXIUFHCSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1)[C@@H]1CCCO1 ZINC001574515279 950629588 /nfs/dbraw/zinc/62/95/88/950629588.db2.gz CGDRDTLEDTTXKV-XUXIUFHCSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@@H](CNC(=O)c1cc2c(o1)CCCC2)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575001498 950633496 /nfs/dbraw/zinc/63/34/96/950633496.db2.gz LRUOUOCDGXFRLR-LLVKDONJSA-N -1 1 382.428 1.028 20 0 GDADMM CC(C)CCC(=O)N[C@@H]1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@H]2C1 ZINC001574174534 950636464 /nfs/dbraw/zinc/63/64/64/950636464.db2.gz JIABLNQPDWJACJ-SOUVJXGZSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)CCC(=O)N[C@@H]1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@H]2C1 ZINC001574174534 950636478 /nfs/dbraw/zinc/63/64/78/950636478.db2.gz JIABLNQPDWJACJ-SOUVJXGZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccnn1C1CCC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574759424 950638396 /nfs/dbraw/zinc/63/83/96/950638396.db2.gz DGBXLECKFJISFT-LLVKDONJSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccnn1C1CCC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574759424 950638405 /nfs/dbraw/zinc/63/84/05/950638405.db2.gz DGBXLECKFJISFT-LLVKDONJSA-N -1 1 382.432 1.151 20 0 GDADMM CCN1CCN(CC(C)(C)NC(=O)NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)CC1 ZINC001589743956 950639519 /nfs/dbraw/zinc/63/95/19/950639519.db2.gz GHSVWQOPXAEEQN-LFDOHDQPSA-N -1 1 396.532 1.114 20 0 GDADMM CC1(C)C2CCC1(C(=O)N1CCN(c3cnc(-c4nnn[n-]4)cn3)CC1)CC2 ZINC001575622774 950642629 /nfs/dbraw/zinc/64/26/29/950642629.db2.gz GVCCKDVLDFQTDR-UHFFFAOYSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)C2CCC1(C(=O)N1CCN(c3cnc(-c4nn[n-]n4)cn3)CC1)CC2 ZINC001575622774 950642646 /nfs/dbraw/zinc/64/26/46/950642646.db2.gz GVCCKDVLDFQTDR-UHFFFAOYSA-N -1 1 382.472 1.522 20 0 GDADMM CC(C)CCC(=O)NC1(C2CCN(c3nccnc3-c3nnn[n-]3)CC2)CC1 ZINC001574174717 950643567 /nfs/dbraw/zinc/64/35/67/950643567.db2.gz JQEAWIXIVBUYAR-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CCC(=O)NC1(C2CCN(c3nccnc3-c3nn[n-]n3)CC2)CC1 ZINC001574174717 950643578 /nfs/dbraw/zinc/64/35/78/950643578.db2.gz JQEAWIXIVBUYAR-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCCc1ccccc1 ZINC001575923256 950654453 /nfs/dbraw/zinc/65/44/53/950654453.db2.gz PZHVZPKBTJWYNN-GDBMZVCRSA-N -1 1 392.467 1.503 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cccc2c1CCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001574760248 950661771 /nfs/dbraw/zinc/66/17/71/950661771.db2.gz UXBZTFFGBUFAMG-LBPRGKRZSA-N -1 1 378.440 1.718 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cccc2c1CCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001574760248 950661787 /nfs/dbraw/zinc/66/17/87/950661787.db2.gz UXBZTFFGBUFAMG-LBPRGKRZSA-N -1 1 378.440 1.718 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CC[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573876250 950668331 /nfs/dbraw/zinc/66/83/31/950668331.db2.gz HOBJQYNBRUPEAY-BFHYXJOUSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CC[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573876250 950668347 /nfs/dbraw/zinc/66/83/47/950668347.db2.gz HOBJQYNBRUPEAY-BFHYXJOUSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H](CN(C)C(=O)c1cccnc1C(F)F)Nc1nccnc1-c1nnn[n-]1 ZINC001574760736 950675296 /nfs/dbraw/zinc/67/52/96/950675296.db2.gz YZEPWNQGHBWBBW-SECBINFHSA-N -1 1 389.370 1.562 20 0 GDADMM C[C@H](CN(C)C(=O)c1cccnc1C(F)F)Nc1nccnc1-c1nn[n-]n1 ZINC001574760736 950675308 /nfs/dbraw/zinc/67/53/08/950675308.db2.gz YZEPWNQGHBWBBW-SECBINFHSA-N -1 1 389.370 1.562 20 0 GDADMM C[C@H](CNC(=O)c1cc2c(s1)CCCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001575005301 950676955 /nfs/dbraw/zinc/67/69/55/950676955.db2.gz ALEONMKXUUWTKD-SNVBAGLBSA-N -1 1 384.469 1.827 20 0 GDADMM C[C@H](CNC(=O)c1cc2c(s1)CCCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001575005301 950676969 /nfs/dbraw/zinc/67/69/69/950676969.db2.gz ALEONMKXUUWTKD-SNVBAGLBSA-N -1 1 384.469 1.827 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CC[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573876749 950680130 /nfs/dbraw/zinc/68/01/30/950680130.db2.gz UXUCJLPGRVVKJB-BFHYXJOUSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CC[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573876749 950680148 /nfs/dbraw/zinc/68/01/48/950680148.db2.gz UXUCJLPGRVVKJB-BFHYXJOUSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccnn1C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574761071 950693552 /nfs/dbraw/zinc/69/35/52/950693552.db2.gz QKJOBKASSDOTMW-SSDOTTSWSA-N -1 1 381.853 1.283 20 0 GDADMM CC1(C)[C@H](NC(=O)C2CCC2)[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)[C@H]21 ZINC001575626266 950706603 /nfs/dbraw/zinc/70/66/03/950706603.db2.gz XTQJSWXGVHDRGQ-DAXOMENPSA-N -1 1 382.472 1.566 20 0 GDADMM CC1(C)[C@H](NC(=O)C2CCC2)[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)[C@H]21 ZINC001575626266 950706620 /nfs/dbraw/zinc/70/66/20/950706620.db2.gz XTQJSWXGVHDRGQ-DAXOMENPSA-N -1 1 382.472 1.566 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573878494 950710978 /nfs/dbraw/zinc/71/09/78/950710978.db2.gz QZADGEGOTBFUNC-BFHYXJOUSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573878494 950710997 /nfs/dbraw/zinc/71/09/97/950710997.db2.gz QZADGEGOTBFUNC-BFHYXJOUSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)C1Cc2ccccc2C1 ZINC001575926590 950713820 /nfs/dbraw/zinc/71/38/20/950713820.db2.gz KPAUPNDCTYYHRC-BLLLJJGKSA-N -1 1 390.451 1.473 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)C1Cc2ccccc2C1 ZINC001575926590 950713838 /nfs/dbraw/zinc/71/38/38/950713838.db2.gz KPAUPNDCTYYHRC-BLLLJJGKSA-N -1 1 390.451 1.473 20 0 GDADMM CC(C)(C)c1cc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)[nH]n1 ZINC001573880252 950741911 /nfs/dbraw/zinc/74/19/11/950741911.db2.gz VYHWBXQWNNERME-AOOOYVTPSA-N -1 1 382.432 1.050 20 0 GDADMM CC(C)(C)c1cc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)[nH]n1 ZINC001573880252 950741924 /nfs/dbraw/zinc/74/19/24/950741924.db2.gz VYHWBXQWNNERME-AOOOYVTPSA-N -1 1 382.432 1.050 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C2CC2)CC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576217861 950774817 /nfs/dbraw/zinc/77/48/17/950774817.db2.gz JVDOTKUKBICAOZ-OLZOCXBDSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C2CC2)CC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576217861 950774831 /nfs/dbraw/zinc/77/48/31/950774831.db2.gz JVDOTKUKBICAOZ-OLZOCXBDSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCC1CCOCC1 ZINC001575928205 950776172 /nfs/dbraw/zinc/77/61/72/950776172.db2.gz ZWRWAMKKIJLACI-GXTWGEPZSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCC1CCOCC1 ZINC001575928205 950776189 /nfs/dbraw/zinc/77/61/89/950776189.db2.gz ZWRWAMKKIJLACI-GXTWGEPZSA-N -1 1 386.460 1.265 20 0 GDADMM CC(C)(C)c1ccccc1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573884047 950781615 /nfs/dbraw/zinc/78/16/15/950781615.db2.gz FANRYLIZGYOLBD-CYBMUJFWSA-N -1 1 392.467 1.963 20 0 GDADMM CC1(C)CC(CC(=O)NC[C@@H]2[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]32)C1 ZINC001575632117 950789434 /nfs/dbraw/zinc/78/94/34/950789434.db2.gz AXIJWAUTGNURGT-ZSOGYDGISA-N -1 1 382.472 1.281 20 0 GDADMM CC1(C)CC(CC(=O)NC[C@@H]2[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]32)C1 ZINC001575632117 950789450 /nfs/dbraw/zinc/78/94/50/950789450.db2.gz AXIJWAUTGNURGT-ZSOGYDGISA-N -1 1 382.472 1.281 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ocnc1C(F)F ZINC001575930693 950796897 /nfs/dbraw/zinc/79/68/97/950796897.db2.gz GECCRKOZDMMOHD-JGVFFNPUSA-N -1 1 391.342 1.297 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ocnc1C(F)F ZINC001575930693 950796912 /nfs/dbraw/zinc/79/69/12/950796912.db2.gz GECCRKOZDMMOHD-JGVFFNPUSA-N -1 1 391.342 1.297 20 0 GDADMM CC(C)(C)c1nc[nH]c1C(=O)NCC=CCNc1cncc(-c2nnn[n-]2)n1 ZINC001573884705 950800448 /nfs/dbraw/zinc/80/04/48/950800448.db2.gz JGAKMXZEHLPMEH-SNAWJCMRSA-N -1 1 382.432 1.075 20 0 GDADMM CC(C)(C)c1nc[nH]c1C(=O)NCC=CCNc1cncc(-c2nn[n-]n2)n1 ZINC001573884705 950800470 /nfs/dbraw/zinc/80/04/70/950800470.db2.gz JGAKMXZEHLPMEH-SNAWJCMRSA-N -1 1 382.432 1.075 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ncccn1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574766129 950806206 /nfs/dbraw/zinc/80/62/06/950806206.db2.gz KCZTTWBIOLIUKX-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576219148 950806433 /nfs/dbraw/zinc/80/64/33/950806433.db2.gz NLEIHEBMFDDYJU-WDEREUQCSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576219148 950806450 /nfs/dbraw/zinc/80/64/50/950806450.db2.gz NLEIHEBMFDDYJU-WDEREUQCSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccc2c(c1)COC2 ZINC001575931606 950812030 /nfs/dbraw/zinc/81/20/30/950812030.db2.gz JAEZUJPXWYQNHO-ABAIWWIYSA-N -1 1 392.423 1.402 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc2c(c1)COC2 ZINC001575931606 950812048 /nfs/dbraw/zinc/81/20/48/950812048.db2.gz JAEZUJPXWYQNHO-ABAIWWIYSA-N -1 1 392.423 1.402 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576219988 950818829 /nfs/dbraw/zinc/81/88/29/950818829.db2.gz PMJIGOXJKQOILS-GHMZBOCLSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576219988 950818850 /nfs/dbraw/zinc/81/88/50/950818850.db2.gz PMJIGOXJKQOILS-GHMZBOCLSA-N -1 1 392.414 1.599 20 0 GDADMM CC(C)C(C)(C)C(=O)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001576220184 950826475 /nfs/dbraw/zinc/82/64/75/950826475.db2.gz VYQSTHFZAFYTOU-UONOGXRCSA-N -1 1 386.504 1.657 20 0 GDADMM C[C@@H]1[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCN1C(=O)CC(C)(C)O ZINC001575932689 950831339 /nfs/dbraw/zinc/83/13/39/950831339.db2.gz LSEFWQXAUFCTEC-HTQZYQBOSA-N -1 1 385.881 1.539 20 0 GDADMM CC(C)(C)c1nc(C(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)co1 ZINC001573885787 950832185 /nfs/dbraw/zinc/83/21/85/950832185.db2.gz UPNZACPBEDUGFF-AOOOYVTPSA-N -1 1 383.416 1.315 20 0 GDADMM CC(C)(C)c1nc(C(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)co1 ZINC001573885787 950832210 /nfs/dbraw/zinc/83/22/10/950832210.db2.gz UPNZACPBEDUGFF-AOOOYVTPSA-N -1 1 383.416 1.315 20 0 GDADMM C[C@@H](CN(C)C(=O)c1sccc1Cl)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574767459 950851952 /nfs/dbraw/zinc/85/19/52/950851952.db2.gz ORWMCYPJWIBDTH-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CN(C)C(=O)c1sccc1Cl)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574767459 950851973 /nfs/dbraw/zinc/85/19/73/950851973.db2.gz ORWMCYPJWIBDTH-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM CC1(C)C[C@@H](NC(=O)[C@@H]2CC2(F)F)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575639064 950859282 /nfs/dbraw/zinc/85/92/82/950859282.db2.gz OIXRNEZVJCMAKJ-QWRGUYRKSA-N -1 1 392.414 1.423 20 0 GDADMM CC1(C)C[C@@H](NC(=O)[C@@H]2CC2(F)F)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575639064 950859304 /nfs/dbraw/zinc/85/93/04/950859304.db2.gz OIXRNEZVJCMAKJ-QWRGUYRKSA-N -1 1 392.414 1.423 20 0 GDADMM CC(C)(C)c1ocnc1C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573888676 950875516 /nfs/dbraw/zinc/87/55/16/950875516.db2.gz YPOOMRXJYQCKTN-JTQLQIEISA-N -1 1 383.416 1.269 20 0 GDADMM CC(C)(C)c1ocnc1C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573888676 950875536 /nfs/dbraw/zinc/87/55/36/950875536.db2.gz YPOOMRXJYQCKTN-JTQLQIEISA-N -1 1 383.416 1.269 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)COc1ccccc1 ZINC001575935460 950881272 /nfs/dbraw/zinc/88/12/72/950881272.db2.gz WPXYENXRZBYIPD-TZMCWYRMSA-N -1 1 380.412 1.137 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)COc1ccccc1 ZINC001575935460 950881289 /nfs/dbraw/zinc/88/12/89/950881289.db2.gz WPXYENXRZBYIPD-TZMCWYRMSA-N -1 1 380.412 1.137 20 0 GDADMM C[C@@H]1[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCN1C(=O)c1ccncn1 ZINC001575935757 950891013 /nfs/dbraw/zinc/89/10/13/950891013.db2.gz BEFLJJTZWATARE-HTQZYQBOSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCN1C(=O)c1ccncn1 ZINC001575935757 950891025 /nfs/dbraw/zinc/89/10/25/950891025.db2.gz BEFLJJTZWATARE-HTQZYQBOSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1ccccn1 ZINC001575936209 950905818 /nfs/dbraw/zinc/90/58/18/950905818.db2.gz CVCVGZRBXVIGIM-GXTWGEPZSA-N -1 1 379.428 1.086 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1ccccn1 ZINC001575936209 950905840 /nfs/dbraw/zinc/90/58/40/950905840.db2.gz CVCVGZRBXVIGIM-GXTWGEPZSA-N -1 1 379.428 1.086 20 0 GDADMM CC(C)CCCC(=O)N[C@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001574190730 950916248 /nfs/dbraw/zinc/91/62/48/950916248.db2.gz ZNKXHYMLJKNQCM-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CCCC(=O)N[C@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001574190730 950916263 /nfs/dbraw/zinc/91/62/63/950916263.db2.gz ZNKXHYMLJKNQCM-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CCCC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@]2(C)C1 ZINC001574190597 950918313 /nfs/dbraw/zinc/91/83/13/950918313.db2.gz ZCYRBFQBUIBEPN-KUHUBIRLSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc(C(F)F)o1 ZINC001575936843 950926688 /nfs/dbraw/zinc/92/66/88/950926688.db2.gz IXGLYBDPLXKWQR-IUCAKERBSA-N -1 1 390.354 1.902 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc(C(F)F)o1 ZINC001575936843 950926702 /nfs/dbraw/zinc/92/67/02/950926702.db2.gz IXGLYBDPLXKWQR-IUCAKERBSA-N -1 1 390.354 1.902 20 0 GDADMM CC(C)(CC(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CC1)C(F)(F)F ZINC001573896206 950946301 /nfs/dbraw/zinc/94/63/01/950946301.db2.gz GPQVSQYUDOFXKM-UHFFFAOYSA-N -1 1 384.366 1.696 20 0 GDADMM CC(C)(CC(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CC1)C(F)(F)F ZINC001573896206 950946317 /nfs/dbraw/zinc/94/63/17/950946317.db2.gz GPQVSQYUDOFXKM-UHFFFAOYSA-N -1 1 384.366 1.696 20 0 GDADMM CC(C)(CC(=O)N1C[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1)C1CC1 ZINC001573897485 950961009 /nfs/dbraw/zinc/96/10/09/950961009.db2.gz QTZWQOJMHHSTPP-KGLIPLIRSA-N -1 1 396.499 1.768 20 0 GDADMM CC(C)(CC(=O)N1C[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1)C1CC1 ZINC001573897485 950961027 /nfs/dbraw/zinc/96/10/27/950961027.db2.gz QTZWQOJMHHSTPP-KGLIPLIRSA-N -1 1 396.499 1.768 20 0 GDADMM CC1(C)C[C@H](NC(=O)C2CCCC2)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575643198 950967004 /nfs/dbraw/zinc/96/70/04/950967004.db2.gz ZQQISMISROPSDD-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)C[C@H](NC(=O)C2CCCC2)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575643198 950967016 /nfs/dbraw/zinc/96/70/16/950967016.db2.gz ZQQISMISROPSDD-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCN1C(=O)c1cocn1 ZINC001575938128 950971510 /nfs/dbraw/zinc/97/15/10/950971510.db2.gz JMCLPOBFTDUWPH-BQBZGAKWSA-N -1 1 380.821 1.680 20 0 GDADMM C[C@H]1[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCN1C(=O)c1cocn1 ZINC001575938128 950971527 /nfs/dbraw/zinc/97/15/27/950971527.db2.gz JMCLPOBFTDUWPH-BQBZGAKWSA-N -1 1 380.821 1.680 20 0 GDADMM CC(C)(CC(=O)N[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C)C1CC1 ZINC001573898149 950975121 /nfs/dbraw/zinc/97/51/21/950975121.db2.gz YFQOMURCMMBGBW-AWEZNQCLSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(CC(=O)N[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C)C1CC1 ZINC001573898149 950975131 /nfs/dbraw/zinc/97/51/31/950975131.db2.gz YFQOMURCMMBGBW-AWEZNQCLSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(C)(F)F)cc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575017283 950986467 /nfs/dbraw/zinc/98/64/67/950986467.db2.gz CNXVQUGHPGYIJL-JTQLQIEISA-N -1 1 388.382 1.421 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573899734 950987611 /nfs/dbraw/zinc/98/76/11/950987611.db2.gz JDHQYUIEMXWSJB-VIFPVBQESA-N -1 1 384.366 1.070 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)F)cc1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575017440 950996320 /nfs/dbraw/zinc/99/63/20/950996320.db2.gz GFWFJPSROABWFN-SNVBAGLBSA-N -1 1 388.382 1.849 20 0 GDADMM CC(C)CCCCC(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC001574195596 950997772 /nfs/dbraw/zinc/99/77/72/950997772.db2.gz UIWHJHQPNSYANP-CQSZACIVSA-N -1 1 388.476 1.195 20 0 GDADMM CC(C)CCCCC(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC001574195596 950997784 /nfs/dbraw/zinc/99/77/84/950997784.db2.gz UIWHJHQPNSYANP-CQSZACIVSA-N -1 1 388.476 1.195 20 0 GDADMM C[C@@H]1CN(C(=O)C2C(C)(C)C2(C)C)CC[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576230314 950997975 /nfs/dbraw/zinc/99/79/75/950997975.db2.gz AWWXSBINXQHYHK-NEPJUHHUSA-N -1 1 384.488 1.988 20 0 GDADMM C[C@@H]1CN(C(=O)C2C(C)(C)C2(C)C)CC[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576230314 950998000 /nfs/dbraw/zinc/99/80/00/950998000.db2.gz AWWXSBINXQHYHK-NEPJUHHUSA-N -1 1 384.488 1.988 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)c(Cl)c1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575023936 951087960 /nfs/dbraw/zinc/08/79/60/951087960.db2.gz SNXHEOVWDWNPEG-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)c(Cl)c1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575023936 951087974 /nfs/dbraw/zinc/08/79/74/951087974.db2.gz SNXHEOVWDWNPEG-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCO2)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575024521 951107614 /nfs/dbraw/zinc/10/76/14/951107614.db2.gz GJALZDCISYOSCH-LLVKDONJSA-N -1 1 380.412 1.070 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCO2)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575024521 951107621 /nfs/dbraw/zinc/10/76/21/951107621.db2.gz GJALZDCISYOSCH-LLVKDONJSA-N -1 1 380.412 1.070 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(N(C)C)c(F)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575024833 951118748 /nfs/dbraw/zinc/11/87/48/951118748.db2.gz NMROOEXFNAAVNC-JTQLQIEISA-N -1 1 385.407 1.092 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(N(C)C)c(F)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575024833 951118753 /nfs/dbraw/zinc/11/87/53/951118753.db2.gz NMROOEXFNAAVNC-JTQLQIEISA-N -1 1 385.407 1.092 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCC2)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575025064 951125406 /nfs/dbraw/zinc/12/54/06/951125406.db2.gz UBBXILXAXNEXIS-LBPRGKRZSA-N -1 1 378.440 1.623 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCC2)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575025064 951125412 /nfs/dbraw/zinc/12/54/12/951125412.db2.gz UBBXILXAXNEXIS-LBPRGKRZSA-N -1 1 378.440 1.623 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(Cl)c1F)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575028353 951171857 /nfs/dbraw/zinc/17/18/57/951171857.db2.gz VRELTTPXMNYEQK-SECBINFHSA-N -1 1 390.810 1.349 20 0 GDADMM C[C@H](CNC(=O)c1ccccc1O)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575028250 951172040 /nfs/dbraw/zinc/17/20/40/951172040.db2.gz MWQNSKGLPYPMCW-SSDOTTSWSA-N -1 1 379.833 1.913 20 0 GDADMM C[C@@H](CNC(=O)c1cccnc1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001575031808 951203572 /nfs/dbraw/zinc/20/35/72/951203572.db2.gz JLCPKRVKNXXBOL-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@@H](CNC(=O)c1cccnc1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001575031808 951203579 /nfs/dbraw/zinc/20/35/79/951203579.db2.gz JLCPKRVKNXXBOL-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@@H](CNC(=O)c1ccccn1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575032100 951214850 /nfs/dbraw/zinc/21/48/50/951214850.db2.gz QMFCMLBDFLZSAV-QMMMGPOBSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@@H](CNC(=O)c1ccccn1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575032100 951214861 /nfs/dbraw/zinc/21/48/61/951214861.db2.gz QMFCMLBDFLZSAV-QMMMGPOBSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@H](CNC(=O)c1ccnn1C1CCCC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575033820 951229245 /nfs/dbraw/zinc/22/92/45/951229245.db2.gz CAJDYKAZQXCTHC-LLVKDONJSA-N -1 1 382.432 1.199 20 0 GDADMM C[C@H](CNC(=O)c1ccnn1C1CCCC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575033820 951229256 /nfs/dbraw/zinc/22/92/56/951229256.db2.gz CAJDYKAZQXCTHC-LLVKDONJSA-N -1 1 382.432 1.199 20 0 GDADMM C[C@@H](CNC(=O)c1cnc(C(C)(C)C)s1)Nc1nccnc1-c1nnn[n-]1 ZINC001575044946 951422552 /nfs/dbraw/zinc/42/25/52/951422552.db2.gz XWAXKVATGOZTMI-VIFPVBQESA-N -1 1 387.473 1.641 20 0 GDADMM C[C@@H](CNC(=O)c1cnc(C(C)(C)C)s1)Nc1nccnc1-c1nn[n-]n1 ZINC001575044946 951422559 /nfs/dbraw/zinc/42/25/59/951422559.db2.gz XWAXKVATGOZTMI-VIFPVBQESA-N -1 1 387.473 1.641 20 0 GDADMM C[C@H](CNC(=O)c1cnccn1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575046252 951438066 /nfs/dbraw/zinc/43/80/66/951438066.db2.gz LZMZOCSXHFTWPT-SSDOTTSWSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@H](CNC(=O)c1cnccn1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575046252 951438073 /nfs/dbraw/zinc/43/80/73/951438073.db2.gz LZMZOCSXHFTWPT-SSDOTTSWSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@@H](CNC(=O)c1cncn1C)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575046542 951443686 /nfs/dbraw/zinc/44/36/86/951443686.db2.gz OVMUYKSVMXZXFU-ZETCQYMHSA-N -1 1 381.853 1.188 20 0 GDADMM C[C@@H](CNC(=O)c1cncn1C)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575046542 951443689 /nfs/dbraw/zinc/44/36/89/951443689.db2.gz OVMUYKSVMXZXFU-ZETCQYMHSA-N -1 1 381.853 1.188 20 0 GDADMM C[C@@H](CNC(=O)c1cnns1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575055589 951509341 /nfs/dbraw/zinc/50/93/41/951509341.db2.gz XWWHECRJLSKIKV-YFKPBYRVSA-N -1 1 385.866 1.083 20 0 GDADMM C[C@@H](CNC(=O)c1coc(C(C)(C)C)n1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575055885 951513889 /nfs/dbraw/zinc/51/38/89/951513889.db2.gz BGIDHRDWKZDHAX-SNVBAGLBSA-N -1 1 385.432 1.420 20 0 GDADMM C[C@@H](CNC(=O)c1coc(C(C)(C)C)n1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575055885 951513897 /nfs/dbraw/zinc/51/38/97/951513897.db2.gz BGIDHRDWKZDHAX-SNVBAGLBSA-N -1 1 385.432 1.420 20 0 GDADMM CC(C)c1nc(C(=O)NC[C@@H](C)CNc2ccnc(-c3nn[n-]n3)n2)cs1 ZINC001575059247 951539725 /nfs/dbraw/zinc/53/97/25/951539725.db2.gz YCGNLTAZWRLJDB-JTQLQIEISA-N -1 1 387.473 1.137 20 0 GDADMM C[C@@H](CNC(=O)c1ncsc1C1CC1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575064772 951578218 /nfs/dbraw/zinc/57/82/18/951578218.db2.gz DDAOUDGSXQDLAS-SECBINFHSA-N -1 1 385.457 1.469 20 0 GDADMM C[C@@H](CNC(=O)c1ncsc1C1CC1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575064772 951578225 /nfs/dbraw/zinc/57/82/25/951578225.db2.gz DDAOUDGSXQDLAS-SECBINFHSA-N -1 1 385.457 1.469 20 0 GDADMM C[C@@H](CNC(=O)c1ncccn1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575067915 951625818 /nfs/dbraw/zinc/62/58/18/951625818.db2.gz RTHRTBBBBJULDW-ZETCQYMHSA-N -1 1 379.837 1.245 20 0 GDADMM CC(C)c1nnsc1C(=O)NC[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575069600 951644773 /nfs/dbraw/zinc/64/47/73/951644773.db2.gz KZKKTOQBIYPXMV-SECBINFHSA-N -1 1 388.461 1.110 20 0 GDADMM CC(C)c1nnsc1C(=O)NC[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575069600 951644783 /nfs/dbraw/zinc/64/47/83/951644783.db2.gz KZKKTOQBIYPXMV-SECBINFHSA-N -1 1 388.461 1.110 20 0 GDADMM O=C([O-])CS(=O)(=O)CCN1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC001595123524 951987790 /nfs/dbraw/zinc/98/77/90/951987790.db2.gz GOZMFBZXEANMMB-CYBMUJFWSA-N -1 1 390.299 1.813 20 0 GDADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)[C@H]1CCC1(F)F)C1CC1 ZINC001575123624 952016030 /nfs/dbraw/zinc/01/60/30/952016030.db2.gz BKTNPNQZARYZJV-BMIGLBTASA-N -1 1 378.387 1.399 20 0 GDADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)[C@H]1CCC1(F)F)C1CC1 ZINC001575123624 952016039 /nfs/dbraw/zinc/01/60/39/952016039.db2.gz BKTNPNQZARYZJV-BMIGLBTASA-N -1 1 378.387 1.399 20 0 GDADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)C1CC2(CCC2)C1)C1CC1 ZINC001575129585 952080951 /nfs/dbraw/zinc/08/09/51/952080951.db2.gz WEWBFYHPJRRYHF-SFHVURJKSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)C1CC2(CCC2)C1)C1CC1 ZINC001575129585 952080961 /nfs/dbraw/zinc/08/09/61/952080961.db2.gz WEWBFYHPJRRYHF-SFHVURJKSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ncoc1C(C)(C)C ZINC001575135167 952115398 /nfs/dbraw/zinc/11/53/98/952115398.db2.gz KMGCKOLUQZDUBA-JTQLQIEISA-N -1 1 385.432 1.515 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ncoc1C(C)(C)C ZINC001575135167 952115402 /nfs/dbraw/zinc/11/54/02/952115402.db2.gz KMGCKOLUQZDUBA-JTQLQIEISA-N -1 1 385.432 1.515 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@H]1CCc2ccccc2C1 ZINC001575135349 952117103 /nfs/dbraw/zinc/11/71/03/952117103.db2.gz QSDGOJXRWJQDFK-CJNGLKHVSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@H]1CCc2ccccc2C1 ZINC001575135349 952117111 /nfs/dbraw/zinc/11/71/11/952117111.db2.gz QSDGOJXRWJQDFK-CJNGLKHVSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)C[C@@H]1CCC(C)(C)CO1 ZINC001575136512 952125661 /nfs/dbraw/zinc/12/56/61/952125661.db2.gz VZBYVQZPZNEYHM-OLZOCXBDSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)C[C@@H]1CCC(C)(C)CO1 ZINC001575136512 952125667 /nfs/dbraw/zinc/12/56/67/952125667.db2.gz VZBYVQZPZNEYHM-OLZOCXBDSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C12CCC(CC1)C2(C)C ZINC001575141565 952145663 /nfs/dbraw/zinc/14/56/63/952145663.db2.gz IEPUIJSEZCNQOA-BYKITBGFSA-N -1 1 384.488 1.554 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)Cc1cccc(Cl)c1 ZINC001575142697 952147565 /nfs/dbraw/zinc/14/75/65/952147565.db2.gz KWCLMSYURPHVBZ-LLVKDONJSA-N -1 1 386.847 1.234 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)CC1(c2ccccc2)CC1 ZINC001575143352 952151471 /nfs/dbraw/zinc/15/14/71/952151471.db2.gz ORLQAFWFXMABEF-AWEZNQCLSA-N -1 1 392.467 1.459 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(Cl)cs1 ZINC001575143612 952154466 /nfs/dbraw/zinc/15/44/66/952154466.db2.gz BMLLTOLRMWBHMD-MRVPVSSYSA-N -1 1 378.849 1.366 20 0 GDADMM O=C([O-])[C@@H](Cc1ccccc1)NCC(=O)N1CCN(Cc2ccsc2)CC1 ZINC001595159138 952186650 /nfs/dbraw/zinc/18/66/50/952186650.db2.gz KBQADOQWFIKHES-GOSISDBHSA-N -1 1 387.505 1.678 20 0 GDADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)[C@@H]1C[C@H]1C1CCC1)C1CC1 ZINC001575153167 952206547 /nfs/dbraw/zinc/20/65/47/952206547.db2.gz DHHYRKDVDDGAMG-KSMMKXTCSA-N -1 1 382.472 1.790 20 0 GDADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)[C@@H]1C[C@H]1C1CCC1)C1CC1 ZINC001575153167 952206554 /nfs/dbraw/zinc/20/65/54/952206554.db2.gz DHHYRKDVDDGAMG-KSMMKXTCSA-N -1 1 382.472 1.790 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)CCOc1ccccc1 ZINC001575153202 952207052 /nfs/dbraw/zinc/20/70/52/952207052.db2.gz FEDDZTGFXRRRMH-ZDUSSCGKSA-N -1 1 382.428 1.385 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)CCOc1ccccc1 ZINC001575153202 952207059 /nfs/dbraw/zinc/20/70/59/952207059.db2.gz FEDDZTGFXRRRMH-ZDUSSCGKSA-N -1 1 382.428 1.385 20 0 GDADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)CC1CCOCC1)C1CC1 ZINC001575154403 952222189 /nfs/dbraw/zinc/22/21/89/952222189.db2.gz CEFJABDAWCBOTP-GOSISDBHSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)CC1CCOCC1)C1CC1 ZINC001575154403 952222195 /nfs/dbraw/zinc/22/21/95/952222195.db2.gz CEFJABDAWCBOTP-GOSISDBHSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)CC[C@H]1CCCO1)C1CC1 ZINC001575155319 952236671 /nfs/dbraw/zinc/23/66/71/952236671.db2.gz KWRFVPDCGLJENC-ACJLOTCBSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)CC[C@H]1CCCO1)C1CC1 ZINC001575155319 952236679 /nfs/dbraw/zinc/23/66/79/952236679.db2.gz KWRFVPDCGLJENC-ACJLOTCBSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cc2c([nH]1)CCCC2 ZINC001575155720 952243287 /nfs/dbraw/zinc/24/32/87/952243287.db2.gz OYELMKPJDLNHTF-NSHDSACASA-N -1 1 381.444 1.436 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cc2c([nH]1)CCCC2 ZINC001575155720 952243294 /nfs/dbraw/zinc/24/32/94/952243294.db2.gz OYELMKPJDLNHTF-NSHDSACASA-N -1 1 381.444 1.436 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cccc2c1CCC2 ZINC001575156059 952246732 /nfs/dbraw/zinc/24/67/32/952246732.db2.gz BUJRCJBRKBSLHV-LBPRGKRZSA-N -1 1 378.440 1.718 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cccc2c1CCC2 ZINC001575156059 952246737 /nfs/dbraw/zinc/24/67/37/952246737.db2.gz BUJRCJBRKBSLHV-LBPRGKRZSA-N -1 1 378.440 1.718 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001575156139 952249425 /nfs/dbraw/zinc/24/94/25/952249425.db2.gz CTEUJYBGUIDIOV-JTQLQIEISA-N -1 1 384.448 1.250 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001575156139 952249433 /nfs/dbraw/zinc/24/94/33/952249433.db2.gz CTEUJYBGUIDIOV-JTQLQIEISA-N -1 1 384.448 1.250 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CCCc1cccnc1 ZINC001575157959 952267910 /nfs/dbraw/zinc/26/79/10/952267910.db2.gz QKZBZIOWQLJCGR-ZDUSSCGKSA-N -1 1 381.444 1.333 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CCCc1cccnc1 ZINC001575157959 952267914 /nfs/dbraw/zinc/26/79/14/952267914.db2.gz QKZBZIOWQLJCGR-ZDUSSCGKSA-N -1 1 381.444 1.333 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1nc(Cl)cs1 ZINC001575158387 952272242 /nfs/dbraw/zinc/27/22/42/952272242.db2.gz ULFXSUYXPQVQKF-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1nc(Cl)cs1 ZINC001575158387 952272246 /nfs/dbraw/zinc/27/22/46/952272246.db2.gz ULFXSUYXPQVQKF-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H]1COc2ccccc21 ZINC001575158545 952273123 /nfs/dbraw/zinc/27/31/23/952273123.db2.gz WGYCUVWSIBYAPF-DGCLKSJQSA-N -1 1 380.412 1.092 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1COc2ccccc21 ZINC001575158545 952273126 /nfs/dbraw/zinc/27/31/26/952273126.db2.gz WGYCUVWSIBYAPF-DGCLKSJQSA-N -1 1 380.412 1.092 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)c1ccn(C)c1 ZINC001575163977 952285503 /nfs/dbraw/zinc/28/55/03/952285503.db2.gz ANYXVAYARPKVSK-MRVPVSSYSA-N -1 1 380.865 1.888 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)c1ccn(C)c1 ZINC001575163977 952285511 /nfs/dbraw/zinc/28/55/11/952285511.db2.gz ANYXVAYARPKVSK-MRVPVSSYSA-N -1 1 380.865 1.888 20 0 GDADMM O=C([O-])[C@H]1CCCCN1C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O ZINC001595193558 952295464 /nfs/dbraw/zinc/29/54/64/952295464.db2.gz KPZCFVGAGNNWIY-CQSZACIVSA-N -1 1 382.438 1.256 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)Cc1ncc[nH]1 ZINC001575164542 952295705 /nfs/dbraw/zinc/29/57/05/952295705.db2.gz FJSXVTLEIVQINO-ZETCQYMHSA-N -1 1 381.853 1.201 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)Cc1ncc[nH]1 ZINC001575164542 952295710 /nfs/dbraw/zinc/29/57/10/952295710.db2.gz FJSXVTLEIVQINO-ZETCQYMHSA-N -1 1 381.853 1.201 20 0 GDADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)[C@]1(C)CCOC1 ZINC001575166198 952321842 /nfs/dbraw/zinc/32/18/42/952321842.db2.gz SVFHKRXZJPLNQR-RMLUDKJBSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)c1ccc(F)cn1)C1CC1 ZINC001575173890 952359816 /nfs/dbraw/zinc/35/98/16/952359816.db2.gz CGZZKRYDDVYZMZ-KRWDZBQOSA-N -1 1 383.391 1.201 20 0 GDADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)c1ccc(F)cn1)C1CC1 ZINC001575173890 952359823 /nfs/dbraw/zinc/35/98/23/952359823.db2.gz CGZZKRYDDVYZMZ-KRWDZBQOSA-N -1 1 383.391 1.201 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCc2ccccc2C1 ZINC001575174105 952363420 /nfs/dbraw/zinc/36/34/20/952363420.db2.gz HCOIVRRDBLQDEP-XJKSGUPXSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCc2ccccc2C1 ZINC001575174105 952363428 /nfs/dbraw/zinc/36/34/28/952363428.db2.gz HCOIVRRDBLQDEP-XJKSGUPXSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)C[C@H]1CCC(C)(C)CO1 ZINC001575174144 952366137 /nfs/dbraw/zinc/36/61/37/952366137.db2.gz HXPGBIJIQAXPLO-QWHCGFSZSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)C[C@H]1CCC(C)(C)CO1 ZINC001575174144 952366141 /nfs/dbraw/zinc/36/61/41/952366141.db2.gz HXPGBIJIQAXPLO-QWHCGFSZSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)[C@@H]1CCCC12CC2)C1CC1 ZINC001575175590 952387864 /nfs/dbraw/zinc/38/78/64/952387864.db2.gz WYKAZLIUPJSODK-SCLBCKFNSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)[C@@H]1CCCC12CC2)C1CC1 ZINC001575175590 952387873 /nfs/dbraw/zinc/38/78/73/952387873.db2.gz WYKAZLIUPJSODK-SCLBCKFNSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1nccc2occc21 ZINC001575178243 952406423 /nfs/dbraw/zinc/40/64/23/952406423.db2.gz LNYKGKMHOVGLSE-SNVBAGLBSA-N -1 1 379.384 1.371 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1nccc2occc21 ZINC001575178243 952406427 /nfs/dbraw/zinc/40/64/27/952406427.db2.gz LNYKGKMHOVGLSE-SNVBAGLBSA-N -1 1 379.384 1.371 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)c1ccnnc1 ZINC001575180899 952420244 /nfs/dbraw/zinc/42/02/44/952420244.db2.gz XKABWBZHEMQVJO-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)c1ccnnc1 ZINC001575180899 952420249 /nfs/dbraw/zinc/42/02/49/952420249.db2.gz XKABWBZHEMQVJO-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001575187652 952444168 /nfs/dbraw/zinc/44/41/68/952444168.db2.gz DNVKDUHKGRNRMD-OLZOCXBDSA-N -1 1 382.428 1.389 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001575187652 952444171 /nfs/dbraw/zinc/44/41/71/952444171.db2.gz DNVKDUHKGRNRMD-OLZOCXBDSA-N -1 1 382.428 1.389 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H](C)Cc1ccccc1F ZINC001575188983 952452486 /nfs/dbraw/zinc/45/24/86/952452486.db2.gz LRTZEPOYDNVAEE-VXGBXAGGSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)Cc1ccccc1F ZINC001575188983 952452495 /nfs/dbraw/zinc/45/24/95/952452495.db2.gz LRTZEPOYDNVAEE-VXGBXAGGSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N(C)C1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575189790 952458660 /nfs/dbraw/zinc/45/86/60/952458660.db2.gz QKUOMHRBRVNQJL-PNESKVBLSA-N -1 1 382.428 1.530 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N(C)C1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575189790 952458670 /nfs/dbraw/zinc/45/86/70/952458670.db2.gz QKUOMHRBRVNQJL-PNESKVBLSA-N -1 1 382.428 1.530 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575196820 952477056 /nfs/dbraw/zinc/47/70/56/952477056.db2.gz JKSNUUITXMKYGD-QWHCGFSZSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575196820 952477059 /nfs/dbraw/zinc/47/70/59/952477059.db2.gz JKSNUUITXMKYGD-QWHCGFSZSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575197087 952479431 /nfs/dbraw/zinc/47/94/31/952479431.db2.gz MYUIECDHDUUQEV-OLZOCXBDSA-N -1 1 382.428 1.071 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575197087 952479435 /nfs/dbraw/zinc/47/94/35/952479435.db2.gz MYUIECDHDUUQEV-OLZOCXBDSA-N -1 1 382.428 1.071 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@@]1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575197186 952480256 /nfs/dbraw/zinc/48/02/56/952480256.db2.gz OXBBCYHQIQAPRE-XIKOKIGWSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@@]1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575197186 952480261 /nfs/dbraw/zinc/48/02/61/952480261.db2.gz OXBBCYHQIQAPRE-XIKOKIGWSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001575197290 952481509 /nfs/dbraw/zinc/48/15/09/952481509.db2.gz RZNQVPBPPGLTOF-SCRDCRAPSA-N -1 1 382.428 1.212 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001575197262 952482024 /nfs/dbraw/zinc/48/20/24/952482024.db2.gz RGGCCBRDQDVHNU-SMDDNHRTSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001575197262 952482027 /nfs/dbraw/zinc/48/20/27/952482027.db2.gz RGGCCBRDQDVHNU-SMDDNHRTSA-N -1 1 382.428 1.435 20 0 GDADMM COc1ncc(NC(=O)NCC2([C@@H](C)CCO)CCC2)cc1-c1nn[n-]n1 ZINC001571117567 952483465 /nfs/dbraw/zinc/48/34/65/952483465.db2.gz NFZHGZHSVNUYBG-NSHDSACASA-N -1 1 375.433 1.581 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001575197345 952483722 /nfs/dbraw/zinc/48/37/22/952483722.db2.gz UNMFLNXIJRNWIN-OUCADQQQSA-N -1 1 382.428 1.069 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001575197345 952483724 /nfs/dbraw/zinc/48/37/24/952483724.db2.gz UNMFLNXIJRNWIN-OUCADQQQSA-N -1 1 382.428 1.069 20 0 GDADMM O=C(Cc1ccccc1)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1 ZINC001571120038 952498394 /nfs/dbraw/zinc/49/83/94/952498394.db2.gz IOCOUCOMOCIJBM-KFWWJZLASA-N -1 1 376.424 1.125 20 0 GDADMM O=C(Cc1ccccc1)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1 ZINC001571120038 952498402 /nfs/dbraw/zinc/49/84/02/952498402.db2.gz IOCOUCOMOCIJBM-KFWWJZLASA-N -1 1 376.424 1.125 20 0 GDADMM COC(=O)c1cnc([C@@H](C)NC(=O)c2cccc(F)c2-c2nnn[n-]2)s1 ZINC001571120406 952503264 /nfs/dbraw/zinc/50/32/64/952503264.db2.gz KUCCVCXWOUMWMT-SSDOTTSWSA-N -1 1 376.373 1.740 20 0 GDADMM COC(=O)c1cnc([C@@H](C)NC(=O)c2cccc(F)c2-c2nn[n-]n2)s1 ZINC001571120406 952503271 /nfs/dbraw/zinc/50/32/71/952503271.db2.gz KUCCVCXWOUMWMT-SSDOTTSWSA-N -1 1 376.373 1.740 20 0 GDADMM O=C([C@H]1CC1(F)F)N1CC[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571121193 952516069 /nfs/dbraw/zinc/51/60/69/952516069.db2.gz XZMQPWQOQNNKGS-NTSWFWBYSA-N -1 1 375.792 1.645 20 0 GDADMM O=C([C@H]1CC1(F)F)N1CC[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571121193 952516073 /nfs/dbraw/zinc/51/60/73/952516073.db2.gz XZMQPWQOQNNKGS-NTSWFWBYSA-N -1 1 375.792 1.645 20 0 GDADMM COC(=O)[C@]12CCC[C@H]1CN(C(=O)NCc1ccc(-c3nn[n-]n3)s1)C2 ZINC001571121627 952521055 /nfs/dbraw/zinc/52/10/55/952521055.db2.gz AUSGICLPCMIXCG-QFYYESIMSA-N -1 1 376.442 1.413 20 0 GDADMM CC[C@@H]1C[C@@H](C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)CCO1 ZINC001571122275 952525145 /nfs/dbraw/zinc/52/51/45/952525145.db2.gz IDXWSFUMHDFOKR-WCQYABFASA-N -1 1 376.486 1.434 20 0 GDADMM CS[C@H](C)C(=O)N1CCCCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571122351 952525602 /nfs/dbraw/zinc/52/56/02/952525602.db2.gz IUWRHLIQOTWEBT-VXGBXAGGSA-N -1 1 376.490 1.591 20 0 GDADMM CS[C@H](C)C(=O)N1CCCCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571122351 952525607 /nfs/dbraw/zinc/52/56/07/952525607.db2.gz IUWRHLIQOTWEBT-VXGBXAGGSA-N -1 1 376.490 1.591 20 0 GDADMM CC[C@@H](SC)C(=O)N1CCC[C@@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001571122819 952526116 /nfs/dbraw/zinc/52/61/16/952526116.db2.gz LZQFJYAAVRNMEF-VXGBXAGGSA-N -1 1 376.490 1.226 20 0 GDADMM CCn1cc(Br)c(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)n1 ZINC001571122847 952527679 /nfs/dbraw/zinc/52/76/79/952527679.db2.gz MPHQJWNHWYLPBL-UHFFFAOYSA-N -1 1 377.206 1.171 20 0 GDADMM CCn1cc(Br)c(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)n1 ZINC001571122847 952527685 /nfs/dbraw/zinc/52/76/85/952527685.db2.gz MPHQJWNHWYLPBL-UHFFFAOYSA-N -1 1 377.206 1.171 20 0 GDADMM O=C(C[C@H]1CCCO1)N[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571123091 952528009 /nfs/dbraw/zinc/52/80/09/952528009.db2.gz OCUNLNGOEOSGPW-CHWSQXEVSA-N -1 1 376.486 1.578 20 0 GDADMM CCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)[C@H](F)C(C)C)CC1 ZINC001571123675 952530612 /nfs/dbraw/zinc/53/06/12/952530612.db2.gz UCXNTSFPTATEON-CYBMUJFWSA-N -1 1 376.440 1.256 20 0 GDADMM CCc1nc(NC[C@@H]2CCCN(C(=O)[C@@H](F)CC)C2)cc(-c2nnn[n-]2)n1 ZINC001571123694 952532406 /nfs/dbraw/zinc/53/24/06/952532406.db2.gz UEZRTJFDDFMJHG-RYUDHWBXSA-N -1 1 376.440 1.618 20 0 GDADMM CCc1nc(NC[C@@H]2CCCN(C(=O)[C@@H](F)CC)C2)cc(-c2nn[n-]n2)n1 ZINC001571123694 952532411 /nfs/dbraw/zinc/53/24/11/952532411.db2.gz UEZRTJFDDFMJHG-RYUDHWBXSA-N -1 1 376.440 1.618 20 0 GDADMM Cc1nscc1C(=O)N[C@H]1C[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571124149 952535408 /nfs/dbraw/zinc/53/54/08/952535408.db2.gz ZQIJFBGPSATRFA-DTORHVGOSA-N -1 1 376.471 1.769 20 0 GDADMM CO[C@@H]1CN(c2snc(C)c2-c2nn[n-]n2)C[C@H]1NC(=O)C1CCCC1 ZINC001571127227 952551499 /nfs/dbraw/zinc/55/14/99/952551499.db2.gz BYNVKGXYELKYJD-VXGBXAGGSA-N -1 1 377.474 1.142 20 0 GDADMM CCC[C@@H](O)CCNC(=O)C1CCN(c2oc(C)nc2-c2nn[n-]n2)CC1 ZINC001571127485 952556440 /nfs/dbraw/zinc/55/64/40/952556440.db2.gz KRMSVNVGUJIAGO-CYBMUJFWSA-N -1 1 377.449 1.047 20 0 GDADMM Cc1nsc(NC[C@H]2CCN(C(=O)C[C@@H]3CCCO3)C2)c1-c1nn[n-]n1 ZINC001571127811 952560573 /nfs/dbraw/zinc/56/05/73/952560573.db2.gz KGHIEMKDTUSMCX-NEPJUHHUSA-N -1 1 377.474 1.461 20 0 GDADMM O=C([C@H]1CC12CC2)N1C[C@@H]2C[C@H]1CN2c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001571127883 952560881 /nfs/dbraw/zinc/56/08/81/952560881.db2.gz LJWXPRIIEFULJX-XHNCKOQMSA-N -1 1 377.861 1.566 20 0 GDADMM Cc1nsc(NC[C@H]2C[C@H](NC(=O)[C@]3(C)CCOC3)C2)c1-c1nn[n-]n1 ZINC001571128044 952562201 /nfs/dbraw/zinc/56/22/01/952562201.db2.gz OABNVNNZRPAJDV-GLKRBJQHSA-N -1 1 377.474 1.365 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575214968 952566709 /nfs/dbraw/zinc/56/67/09/952566709.db2.gz QMXVPUMNDOSMBB-SNVBAGLBSA-N -1 1 380.403 1.423 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575214968 952566712 /nfs/dbraw/zinc/56/67/12/952566712.db2.gz QMXVPUMNDOSMBB-SNVBAGLBSA-N -1 1 380.403 1.423 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575215852 952569628 /nfs/dbraw/zinc/56/96/28/952569628.db2.gz XFKAOJIEXPLZIX-JTQLQIEISA-N -1 1 380.403 1.599 20 0 GDADMM COc1cc(C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)sn1 ZINC001571128639 952569638 /nfs/dbraw/zinc/56/96/38/952569638.db2.gz VUUUYYRFPBTNIC-UHFFFAOYSA-N -1 1 377.455 1.008 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575215852 952569631 /nfs/dbraw/zinc/56/96/31/952569631.db2.gz XFKAOJIEXPLZIX-JTQLQIEISA-N -1 1 380.403 1.599 20 0 GDADMM Cc1nsc(N2CC[C@H](NC(=O)C[C@H]3CCOC3)[C@H]2C)c1-c1nn[n-]n1 ZINC001571128838 952570650 /nfs/dbraw/zinc/57/06/50/952570650.db2.gz YEVBHGSEYPFLEZ-UTUOFQBUSA-N -1 1 377.474 1.142 20 0 GDADMM O=C(N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CCC(F)(F)CC1 ZINC001571129349 952574198 /nfs/dbraw/zinc/57/41/98/952574198.db2.gz CUFJLTOFYYGCPT-LLVKDONJSA-N -1 1 378.387 1.177 20 0 GDADMM O=C(N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CCC(F)(F)CC1 ZINC001571129349 952574199 /nfs/dbraw/zinc/57/41/99/952574199.db2.gz CUFJLTOFYYGCPT-LLVKDONJSA-N -1 1 378.387 1.177 20 0 GDADMM CC1(C)CN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1NC(=O)[C@H]1CCC1(F)F ZINC001571129500 952575558 /nfs/dbraw/zinc/57/55/58/952575558.db2.gz FEPLXNCBWUXMLY-ZJUUUORDSA-N -1 1 378.387 1.033 20 0 GDADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)CC2CC(F)(F)C2)C1 ZINC001571129828 952576416 /nfs/dbraw/zinc/57/64/16/952576416.db2.gz JYPQSHNEGQKGPZ-LLVKDONJSA-N -1 1 378.387 1.129 20 0 GDADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)CC2CC(F)(F)C2)C1 ZINC001571129828 952576418 /nfs/dbraw/zinc/57/64/18/952576418.db2.gz JYPQSHNEGQKGPZ-LLVKDONJSA-N -1 1 378.387 1.129 20 0 GDADMM O=C(C[C@@H]1CCC(F)(F)C1)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571130531 952581048 /nfs/dbraw/zinc/58/10/48/952581048.db2.gz SKACDAZWOLVKNY-WDEREUQCSA-N -1 1 378.387 1.177 20 0 GDADMM CCc1ccccc1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001571134402 952590032 /nfs/dbraw/zinc/59/00/32/952590032.db2.gz FRRHNHYCOPJEJX-DOMZBBRYSA-N -1 1 378.440 1.616 20 0 GDADMM CCc1ccccc1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001571134402 952590036 /nfs/dbraw/zinc/59/00/36/952590036.db2.gz FRRHNHYCOPJEJX-DOMZBBRYSA-N -1 1 378.440 1.616 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@@H]2CCCN2C(=O)c2ccccc2)n1 ZINC001571134728 952593876 /nfs/dbraw/zinc/59/38/76/952593876.db2.gz KRAPCVIDEPYRNT-HNNXBMFYSA-N -1 1 378.440 1.706 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@@H]2CCCN2C(=O)c2ccccc2)n1 ZINC001571134728 952593880 /nfs/dbraw/zinc/59/38/80/952593880.db2.gz KRAPCVIDEPYRNT-HNNXBMFYSA-N -1 1 378.440 1.706 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@H](C)C2)c1 ZINC001571134809 952595259 /nfs/dbraw/zinc/59/52/59/952595259.db2.gz NDJKRCJKEXOSAI-UKRRQHHQSA-N -1 1 378.440 1.350 20 0 GDADMM Cc1cccc(CC(=O)N2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC001571134849 952595875 /nfs/dbraw/zinc/59/58/75/952595875.db2.gz OMXLQPDVCVVWCA-OAHLLOKOSA-N -1 1 378.440 1.611 20 0 GDADMM Cc1cccc(CC(=O)N2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC001571134849 952595877 /nfs/dbraw/zinc/59/58/77/952595877.db2.gz OMXLQPDVCVVWCA-OAHLLOKOSA-N -1 1 378.440 1.611 20 0 GDADMM Cc1cccc(C)c1C(=O)NC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571135015 952598665 /nfs/dbraw/zinc/59/86/65/952598665.db2.gz PVPZUIIKJFKXKT-AWEZNQCLSA-N -1 1 378.440 1.672 20 0 GDADMM Cc1cccc(C)c1C(=O)NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571135015 952598667 /nfs/dbraw/zinc/59/86/67/952598667.db2.gz PVPZUIIKJFKXKT-AWEZNQCLSA-N -1 1 378.440 1.672 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001571135309 952602464 /nfs/dbraw/zinc/60/24/64/952602464.db2.gz VNAZCTPGXIDNQX-ZFWWWQNUSA-N -1 1 378.440 1.976 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001571135309 952602469 /nfs/dbraw/zinc/60/24/69/952602469.db2.gz VNAZCTPGXIDNQX-ZFWWWQNUSA-N -1 1 378.440 1.976 20 0 GDADMM CC1(C)CN(c2cncc(-c3nnn[n-]3)n2)CC[C@H]1NC(=O)c1ccccc1 ZINC001571135412 952603439 /nfs/dbraw/zinc/60/34/39/952603439.db2.gz VNGRJOCELUUNCL-OAHLLOKOSA-N -1 1 378.440 1.692 20 0 GDADMM CC1(C)CN(c2cncc(-c3nn[n-]n3)n2)CC[C@H]1NC(=O)c1ccccc1 ZINC001571135412 952603443 /nfs/dbraw/zinc/60/34/43/952603443.db2.gz VNGRJOCELUUNCL-OAHLLOKOSA-N -1 1 378.440 1.692 20 0 GDADMM COc1cc(C(=O)Nc2ccc(Br)c(-c3nnn[n-]3)n2)nn1C ZINC001571142813 952646919 /nfs/dbraw/zinc/64/69/19/952646919.db2.gz ZSUMBXHFRRJBFI-UHFFFAOYSA-N -1 1 379.178 1.019 20 0 GDADMM COc1cc(C(=O)Nc2ccc(Br)c(-c3nn[n-]n3)n2)nn1C ZINC001571142813 952646923 /nfs/dbraw/zinc/64/69/23/952646923.db2.gz ZSUMBXHFRRJBFI-UHFFFAOYSA-N -1 1 379.178 1.019 20 0 GDADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)[C@H]1CC[C@H](Nc2ncccn2)CC1 ZINC001571146155 952648346 /nfs/dbraw/zinc/64/83/46/952648346.db2.gz DNTZPCFKHFYYCQ-HDJSIYSDSA-N -1 1 379.428 1.339 20 0 GDADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@H]1CC[C@H](Nc2ncccn2)CC1 ZINC001571146155 952648348 /nfs/dbraw/zinc/64/83/48/952648348.db2.gz DNTZPCFKHFYYCQ-HDJSIYSDSA-N -1 1 379.428 1.339 20 0 GDADMM O=C(N[C@@H]1CCCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1)c1ccccn1 ZINC001571146525 952649102 /nfs/dbraw/zinc/64/91/02/952649102.db2.gz HUFMOPOXEYXWSK-CHWSQXEVSA-N -1 1 379.428 1.452 20 0 GDADMM O=C(N[C@@H]1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1)c1ccccn1 ZINC001571146525 952649103 /nfs/dbraw/zinc/64/91/03/952649103.db2.gz HUFMOPOXEYXWSK-CHWSQXEVSA-N -1 1 379.428 1.452 20 0 GDADMM O=C(CCc1cccnc1)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571146906 952654576 /nfs/dbraw/zinc/65/45/76/952654576.db2.gz PNMNTSVVKHWHQV-CQSZACIVSA-N -1 1 379.428 1.087 20 0 GDADMM O=C(CCc1cccnc1)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571146906 952654577 /nfs/dbraw/zinc/65/45/77/952654577.db2.gz PNMNTSVVKHWHQV-CQSZACIVSA-N -1 1 379.428 1.087 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CC[C@H]2[C@@H](CCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001571146958 952655757 /nfs/dbraw/zinc/65/57/57/952655757.db2.gz DSTFPGJNCSWEQK-JSGCOSHPSA-N -1 1 379.428 1.034 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CC[C@H]2[C@@H](CCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001571146958 952655760 /nfs/dbraw/zinc/65/57/60/952655760.db2.gz DSTFPGJNCSWEQK-JSGCOSHPSA-N -1 1 379.428 1.034 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](NC(=O)c3ccccn3)CC[C@H]2C)n1 ZINC001571147188 952659023 /nfs/dbraw/zinc/65/90/23/952659023.db2.gz IRBLQLYMQVREJJ-CHWSQXEVSA-N -1 1 379.428 1.147 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](NC(=O)c3ccccn3)CC[C@H]2C)n1 ZINC001571147188 952659025 /nfs/dbraw/zinc/65/90/25/952659025.db2.gz IRBLQLYMQVREJJ-CHWSQXEVSA-N -1 1 379.428 1.147 20 0 GDADMM O=C(c1ccc[nH]1)N1CC[C@@]2(C1)CCCN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001571147456 952661670 /nfs/dbraw/zinc/66/16/70/952661670.db2.gz YWXDVELONQCOOG-SFHVURJKSA-N -1 1 379.428 1.118 20 0 GDADMM O=C(N[C@H]1CCCN(c2snc(Cl)c2-c2nnn[n-]2)C1)[C@H]1CC12CC2 ZINC001571151950 952680063 /nfs/dbraw/zinc/68/00/63/952680063.db2.gz AEMBEIZBRLYKKA-DTWKUNHWSA-N -1 1 379.877 1.862 20 0 GDADMM O=C(N[C@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)C1)[C@H]1CC12CC2 ZINC001571151950 952680068 /nfs/dbraw/zinc/68/00/68/952680068.db2.gz AEMBEIZBRLYKKA-DTWKUNHWSA-N -1 1 379.877 1.862 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)[C@H]2CC23CC3)CCN1c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001571152635 952683315 /nfs/dbraw/zinc/68/33/15/952683315.db2.gz IKEKFJJAGSWMHQ-HLTSFMKQSA-N -1 1 379.877 1.860 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)[C@H]2CC23CC3)CCN1c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001571152635 952683316 /nfs/dbraw/zinc/68/33/16/952683316.db2.gz IKEKFJJAGSWMHQ-HLTSFMKQSA-N -1 1 379.877 1.860 20 0 GDADMM Cc1nsc(N2CC[C@@H](NC(=O)c3ccoc3Cl)C2)c1-c1nn[n-]n1 ZINC001571153679 952687683 /nfs/dbraw/zinc/68/76/83/952687683.db2.gz UNYBQNVNYLUXNL-MRVPVSSYSA-N -1 1 379.833 1.887 20 0 GDADMM Cc1ccncc1C(=O)N1CCC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571156694 952703623 /nfs/dbraw/zinc/70/36/23/952703623.db2.gz HBYBEGZIPVQNSD-ZDUSSCGKSA-N -1 1 379.428 1.324 20 0 GDADMM Cc1ccncc1C(=O)N1CCC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571156694 952703626 /nfs/dbraw/zinc/70/36/26/952703626.db2.gz HBYBEGZIPVQNSD-ZDUSSCGKSA-N -1 1 379.428 1.324 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c(C)n1 ZINC001571156721 952704089 /nfs/dbraw/zinc/70/40/89/952704089.db2.gz HSIAWDHCXIVSAG-JOCQHMNTSA-N -1 1 379.428 1.350 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c(C)n1 ZINC001571156721 952704094 /nfs/dbraw/zinc/70/40/94/952704094.db2.gz HSIAWDHCXIVSAG-JOCQHMNTSA-N -1 1 379.428 1.350 20 0 GDADMM Cc1cncc(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)CC2)c1 ZINC001571156867 952705683 /nfs/dbraw/zinc/70/56/83/952705683.db2.gz LWXSFBXWJQZFFO-CQSZACIVSA-N -1 1 379.428 1.149 20 0 GDADMM Cc1cncc(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)CC2)c1 ZINC001571156867 952705687 /nfs/dbraw/zinc/70/56/87/952705687.db2.gz LWXSFBXWJQZFFO-CQSZACIVSA-N -1 1 379.428 1.149 20 0 GDADMM Cc1cc(C(=O)NC[C@H]2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)ccn1 ZINC001571157102 952706088 /nfs/dbraw/zinc/70/60/88/952706088.db2.gz MKCKEGPQOAVFNA-GXTWGEPZSA-N -1 1 379.428 1.371 20 0 GDADMM Cc1cc(C(=O)NC[C@H]2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)ccn1 ZINC001571157102 952706091 /nfs/dbraw/zinc/70/60/91/952706091.db2.gz MKCKEGPQOAVFNA-GXTWGEPZSA-N -1 1 379.428 1.371 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCCCN2C(=O)c2ccccn2)n1 ZINC001571158129 952710132 /nfs/dbraw/zinc/71/01/32/952710132.db2.gz RTGHKAWYOAAUEE-ZDUSSCGKSA-N -1 1 379.428 1.467 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCCCN2C(=O)c2ccccn2)n1 ZINC001571158129 952710137 /nfs/dbraw/zinc/71/01/37/952710137.db2.gz RTGHKAWYOAAUEE-ZDUSSCGKSA-N -1 1 379.428 1.467 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H]3[C@H]2CCCN3C(=O)c2ccco2)n1 ZINC001571158292 952711270 /nfs/dbraw/zinc/71/12/70/952711270.db2.gz GJCGCPHXLCQNTA-KGLIPLIRSA-N -1 1 380.412 1.442 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H]3[C@H]2CCCN3C(=O)c2ccco2)n1 ZINC001571158292 952711275 /nfs/dbraw/zinc/71/12/75/952711275.db2.gz GJCGCPHXLCQNTA-KGLIPLIRSA-N -1 1 380.412 1.442 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H]3CN(C(=O)c4ccco4)CC[C@H]32)n1 ZINC001571158311 952711706 /nfs/dbraw/zinc/71/17/06/952711706.db2.gz GUTYYHJNLKZIOW-GXTWGEPZSA-N -1 1 380.412 1.299 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H]3CN(C(=O)c4ccco4)CC[C@H]32)n1 ZINC001571158311 952711711 /nfs/dbraw/zinc/71/17/11/952711711.db2.gz GUTYYHJNLKZIOW-GXTWGEPZSA-N -1 1 380.412 1.299 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CCC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)ccn1 ZINC001571159757 952721999 /nfs/dbraw/zinc/72/19/99/952721999.db2.gz WHBGNUKROREPNA-ZIAGYGMSSA-N -1 1 379.428 1.513 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CCC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)ccn1 ZINC001571159757 952722003 /nfs/dbraw/zinc/72/20/03/952722003.db2.gz WHBGNUKROREPNA-ZIAGYGMSSA-N -1 1 379.428 1.513 20 0 GDADMM O=C(N[C@H]1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1)c1ccccc1O ZINC001571160312 952724906 /nfs/dbraw/zinc/72/49/06/952724906.db2.gz GZCVKCMSNBSHFV-AAEUAGOBSA-N -1 1 380.412 1.373 20 0 GDADMM O=C(N[C@H]1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1)c1ccccc1O ZINC001571160312 952724910 /nfs/dbraw/zinc/72/49/10/952724910.db2.gz GZCVKCMSNBSHFV-AAEUAGOBSA-N -1 1 380.412 1.373 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CCC[C@H]2[C@@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001571160308 952725489 /nfs/dbraw/zinc/72/54/89/952725489.db2.gz YIFOAAIEUYBTKB-KBPBESRZSA-N -1 1 379.428 1.177 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CCC[C@H]2[C@@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001571160308 952725490 /nfs/dbraw/zinc/72/54/90/952725490.db2.gz YIFOAAIEUYBTKB-KBPBESRZSA-N -1 1 379.428 1.177 20 0 GDADMM Cc1ccoc1C(=O)N1CCC[C@@H]2[C@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001571161654 952734009 /nfs/dbraw/zinc/73/40/09/952734009.db2.gz ZVPBIUUWOSOLFA-ZIAGYGMSSA-N -1 1 380.412 1.442 20 0 GDADMM Cc1ccoc1C(=O)N1CCC[C@@H]2[C@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001571161654 952734012 /nfs/dbraw/zinc/73/40/12/952734012.db2.gz ZVPBIUUWOSOLFA-ZIAGYGMSSA-N -1 1 380.412 1.442 20 0 GDADMM O=C(C1=CCCC1)N1C[C@@H]2CCC[C@H](Nc3nccnc3-c3nnn[n-]3)[C@H]2C1 ZINC001571171752 952797228 /nfs/dbraw/zinc/79/72/28/952797228.db2.gz FWCOSZQLMZSKLY-KKUMJFAQSA-N -1 1 380.456 1.806 20 0 GDADMM O=C(C1=CCCC1)N1C[C@@H]2CCC[C@H](Nc3nccnc3-c3nn[n-]n3)[C@H]2C1 ZINC001571171752 952797231 /nfs/dbraw/zinc/79/72/31/952797231.db2.gz FWCOSZQLMZSKLY-KKUMJFAQSA-N -1 1 380.456 1.806 20 0 GDADMM O=C(C1CC2(CCC2)C1)N1CC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001571172040 952799860 /nfs/dbraw/zinc/79/98/60/952799860.db2.gz KZYWBXBRSDQYHT-SWLSCSKDSA-N -1 1 380.456 1.274 20 0 GDADMM O=C(C1CC2(CCC2)C1)N1CC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571172040 952799863 /nfs/dbraw/zinc/79/98/63/952799863.db2.gz KZYWBXBRSDQYHT-SWLSCSKDSA-N -1 1 380.456 1.274 20 0 GDADMM C[C@H]1C[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CN1C(=O)c1cocn1 ZINC001571172195 952802472 /nfs/dbraw/zinc/80/24/72/952802472.db2.gz OXQVIYPMUHAEFQ-NKWVEPMBSA-N -1 1 380.821 1.680 20 0 GDADMM CN(C(=O)c1cnco1)C1CC(Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571172257 952803576 /nfs/dbraw/zinc/80/35/76/952803576.db2.gz QXWSOSHDECCUOX-UHFFFAOYSA-N -1 1 380.821 1.680 20 0 GDADMM CN(C(=O)c1cnco1)C1CC(Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571172257 952803582 /nfs/dbraw/zinc/80/35/82/952803582.db2.gz QXWSOSHDECCUOX-UHFFFAOYSA-N -1 1 380.821 1.680 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C23CCC3)no1 ZINC001571175558 952822959 /nfs/dbraw/zinc/82/29/59/952822959.db2.gz UULDHNKGKMGKFW-VXGBXAGGSA-N -1 1 381.400 1.106 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C23CCC3)no1 ZINC001571175558 952822964 /nfs/dbraw/zinc/82/29/64/952822964.db2.gz UULDHNKGKMGKFW-VXGBXAGGSA-N -1 1 381.400 1.106 20 0 GDADMM O=C(c1cc(C2CC2)no1)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571178510 952842225 /nfs/dbraw/zinc/84/22/25/952842225.db2.gz LIBDUBGBJOWPSB-JTQLQIEISA-N -1 1 381.400 1.096 20 0 GDADMM O=C(c1cc(C2CC2)no1)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571178510 952842231 /nfs/dbraw/zinc/84/22/31/952842231.db2.gz LIBDUBGBJOWPSB-JTQLQIEISA-N -1 1 381.400 1.096 20 0 GDADMM Cc1cc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)c(C)n1C1CCOCC1 ZINC001571181031 952862971 /nfs/dbraw/zinc/86/29/71/952862971.db2.gz UFTQUKKSRRYJIT-UHFFFAOYSA-N -1 1 381.440 1.962 20 0 GDADMM Cc1cc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)c(C)n1C1CCOCC1 ZINC001571181031 952862983 /nfs/dbraw/zinc/86/29/83/952862983.db2.gz UFTQUKKSRRYJIT-UHFFFAOYSA-N -1 1 381.440 1.962 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)CC1)n1cccc1 ZINC001571181776 952866011 /nfs/dbraw/zinc/86/60/11/952866011.db2.gz YGDOCUUIPPIZNP-MGPQQGTHSA-N -1 1 381.444 1.559 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)CC1)n1cccc1 ZINC001571181776 952866016 /nfs/dbraw/zinc/86/60/16/952866016.db2.gz YGDOCUUIPPIZNP-MGPQQGTHSA-N -1 1 381.444 1.559 20 0 GDADMM CCc1[nH]ccc1C(=O)NC1(C)CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571183437 952877515 /nfs/dbraw/zinc/87/75/15/952877515.db2.gz ACSAXCAFJKOELI-UHFFFAOYSA-N -1 1 381.444 1.336 20 0 GDADMM CCc1[nH]ccc1C(=O)NC1(C)CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571183437 952877519 /nfs/dbraw/zinc/87/75/19/952877519.db2.gz ACSAXCAFJKOELI-UHFFFAOYSA-N -1 1 381.444 1.336 20 0 GDADMM C[C@H]1CCN(C(=O)Cc2ccc[nH]2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571183731 952882119 /nfs/dbraw/zinc/88/21/19/952882119.db2.gz IFIXREJNEFKZGZ-STQMWFEESA-N -1 1 381.444 1.124 20 0 GDADMM C[C@H]1CCN(C(=O)Cc2ccc[nH]2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571183731 952882123 /nfs/dbraw/zinc/88/21/23/952882123.db2.gz IFIXREJNEFKZGZ-STQMWFEESA-N -1 1 381.444 1.124 20 0 GDADMM CCCc1[nH]ccc1C(=O)N1CC[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571183784 952882922 /nfs/dbraw/zinc/88/29/22/952882922.db2.gz JKWGGEVJUUPWMN-GFCCVEGCSA-N -1 1 381.444 1.288 20 0 GDADMM CCCc1[nH]ccc1C(=O)N1CC[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571183784 952882927 /nfs/dbraw/zinc/88/29/27/952882927.db2.gz JKWGGEVJUUPWMN-GFCCVEGCSA-N -1 1 381.444 1.288 20 0 GDADMM CC(C)n1cccc1C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)[C@@H]1C ZINC001571183831 952883180 /nfs/dbraw/zinc/88/31/80/952883180.db2.gz KNZJITJJDWZDPZ-QWHCGFSZSA-N -1 1 381.444 1.754 20 0 GDADMM CC(C)n1cccc1C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)[C@@H]1C ZINC001571183831 952883188 /nfs/dbraw/zinc/88/31/88/952883188.db2.gz KNZJITJJDWZDPZ-QWHCGFSZSA-N -1 1 381.444 1.754 20 0 GDADMM CCc1nc(N[C@H]2C[C@H](C)N(C(=O)c3cccn3C)C2)cc(-c2nnn[n-]2)n1 ZINC001571183917 952884558 /nfs/dbraw/zinc/88/45/58/952884558.db2.gz MTWLCHZNAHNQPL-RYUDHWBXSA-N -1 1 381.444 1.273 20 0 GDADMM CCc1nc(N[C@H]2C[C@H](C)N(C(=O)c3cccn3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571183917 952884561 /nfs/dbraw/zinc/88/45/61/952884561.db2.gz MTWLCHZNAHNQPL-RYUDHWBXSA-N -1 1 381.444 1.273 20 0 GDADMM CCc1c(C(=O)N[C@H]2C[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)ccn1C ZINC001571184047 952887324 /nfs/dbraw/zinc/88/73/24/952887324.db2.gz PCURSKSCGRAUPC-HAQNSBGRSA-N -1 1 381.444 1.178 20 0 GDADMM CCc1c(C(=O)N[C@H]2C[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)ccn1C ZINC001571184047 952887328 /nfs/dbraw/zinc/88/73/28/952887328.db2.gz PCURSKSCGRAUPC-HAQNSBGRSA-N -1 1 381.444 1.178 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CC[C@@H](C)[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571184573 952894683 /nfs/dbraw/zinc/89/46/83/952894683.db2.gz AJKVWIFPIYZKPV-YPMHNXCESA-N -1 1 381.444 1.504 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CC[C@@H](C)[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571184573 952894692 /nfs/dbraw/zinc/89/46/92/952894692.db2.gz AJKVWIFPIYZKPV-YPMHNXCESA-N -1 1 381.444 1.504 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CCC[C@H](C)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571185574 952902147 /nfs/dbraw/zinc/90/21/47/952902147.db2.gz NDAKPNIEBDNPJJ-NHYWBVRUSA-N -1 1 381.444 1.646 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CCC[C@H](C)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571185574 952902148 /nfs/dbraw/zinc/90/21/48/952902148.db2.gz NDAKPNIEBDNPJJ-NHYWBVRUSA-N -1 1 381.444 1.646 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CCCC[C@H]1CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001571186588 952908226 /nfs/dbraw/zinc/90/82/26/952908226.db2.gz XSEFCEHEVDRNLH-ZDUSSCGKSA-N -1 1 381.444 1.424 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CCCC[C@H]1CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001571186588 952908228 /nfs/dbraw/zinc/90/82/28/952908228.db2.gz XSEFCEHEVDRNLH-ZDUSSCGKSA-N -1 1 381.444 1.424 20 0 GDADMM Cc1cc(C(=O)NCC2CC(Nc3nccnc3-c3nnn[n-]3)C2)c(C)n1C ZINC001571189634 952932055 /nfs/dbraw/zinc/93/20/55/952932055.db2.gz ZEONVIJLALJKHH-UHFFFAOYSA-N -1 1 381.444 1.233 20 0 GDADMM Cc1cc(C(=O)NCC2CC(Nc3nccnc3-c3nn[n-]n3)C2)c(C)n1C ZINC001571189634 952932059 /nfs/dbraw/zinc/93/20/59/952932059.db2.gz ZEONVIJLALJKHH-UHFFFAOYSA-N -1 1 381.444 1.233 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)(F)F)CC2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571193884 952954112 /nfs/dbraw/zinc/95/41/12/952954112.db2.gz AIAAWLSNFZZCJI-PSASIEDQSA-N -1 1 382.350 1.258 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)(F)F)CC2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571193884 952954116 /nfs/dbraw/zinc/95/41/16/952954116.db2.gz AIAAWLSNFZZCJI-PSASIEDQSA-N -1 1 382.350 1.258 20 0 GDADMM Cn1cc(CCC(=O)Nc2cccc(OC(F)(F)F)c2-c2nn[n-]n2)nn1 ZINC001571194326 952960518 /nfs/dbraw/zinc/96/05/18/952960518.db2.gz KJYBNJDLVQQXAS-UHFFFAOYSA-N -1 1 382.306 1.465 20 0 GDADMM O=C(NCc1nnc2n1CC[C@H](C(F)(F)F)C2)c1ccc(-c2nnn[n-]2)o1 ZINC001571194495 952963261 /nfs/dbraw/zinc/96/32/61/952963261.db2.gz NXLJGYZUPSWFAU-ZETCQYMHSA-N -1 1 382.306 1.106 20 0 GDADMM O=C(NCc1nnc2n1CC[C@H](C(F)(F)F)C2)c1ccc(-c2nn[n-]n2)o1 ZINC001571194495 952963263 /nfs/dbraw/zinc/96/32/63/952963263.db2.gz NXLJGYZUPSWFAU-ZETCQYMHSA-N -1 1 382.306 1.106 20 0 GDADMM Cc1c(F)cccc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001571196716 952983692 /nfs/dbraw/zinc/98/36/92/952983692.db2.gz MRQNNPWCWSDUSN-SMDDNHRTSA-N -1 1 382.403 1.241 20 0 GDADMM Cc1cc(F)cc(C(=O)N2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)[C@@H](C)C2)c1 ZINC001571196914 952984567 /nfs/dbraw/zinc/98/45/67/952984567.db2.gz PVJDWXBOZHAIIZ-NHYWBVRUSA-N -1 1 382.403 1.677 20 0 GDADMM Cc1cc(F)cc(C(=O)N2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)[C@@H](C)C2)c1 ZINC001571196914 952984571 /nfs/dbraw/zinc/98/45/71/952984571.db2.gz PVJDWXBOZHAIIZ-NHYWBVRUSA-N -1 1 382.403 1.677 20 0 GDADMM Cc1ccc(C(=O)N2C[C@H](C)[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c(F)c1 ZINC001571196982 952986411 /nfs/dbraw/zinc/98/64/11/952986411.db2.gz QZQGQBPVGNILPU-XHDPSFHLSA-N -1 1 382.403 1.677 20 0 GDADMM Cc1ccc(C(=O)N2C[C@H](C)[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c(F)c1 ZINC001571196982 952986415 /nfs/dbraw/zinc/98/64/15/952986415.db2.gz QZQGQBPVGNILPU-XHDPSFHLSA-N -1 1 382.403 1.677 20 0 GDADMM CN(C[C@@H]1CCCN1C(=O)c1ccc(F)cc1)c1nccnc1-c1nnn[n-]1 ZINC001571197154 952987533 /nfs/dbraw/zinc/98/75/33/952987533.db2.gz SVOMLDIZXIQERW-AWEZNQCLSA-N -1 1 382.403 1.537 20 0 GDADMM CN(C[C@@H]1CCCN1C(=O)c1ccc(F)cc1)c1nccnc1-c1nn[n-]n1 ZINC001571197154 952987534 /nfs/dbraw/zinc/98/75/34/952987534.db2.gz SVOMLDIZXIQERW-AWEZNQCLSA-N -1 1 382.403 1.537 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)c3ccoc3)C[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571198776 952994118 /nfs/dbraw/zinc/99/41/18/952994118.db2.gz GFAOZYMEPJHSLG-DGCLKSJQSA-N -1 1 382.428 1.775 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)c3ccoc3)C[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571198776 952994120 /nfs/dbraw/zinc/99/41/20/952994120.db2.gz GFAOZYMEPJHSLG-DGCLKSJQSA-N -1 1 382.428 1.775 20 0 GDADMM C[C@H](C(=O)N1CCC(CNc2cnc(-c3nnn[n-]3)cn2)CC1)c1ccco1 ZINC001571199748 953004305 /nfs/dbraw/zinc/00/43/05/953004305.db2.gz AYKQSPJUAGOVNP-LBPRGKRZSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@H](C(=O)N1CCC(CNc2cnc(-c3nn[n-]n3)cn2)CC1)c1ccco1 ZINC001571199748 953004309 /nfs/dbraw/zinc/00/43/09/953004309.db2.gz AYKQSPJUAGOVNP-LBPRGKRZSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccco1 ZINC001571199956 953005016 /nfs/dbraw/zinc/00/50/16/953005016.db2.gz FAMKGDDASDCJTE-QWHCGFSZSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccco1 ZINC001571199956 953005019 /nfs/dbraw/zinc/00/50/19/953005019.db2.gz FAMKGDDASDCJTE-QWHCGFSZSA-N -1 1 382.428 1.846 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)c1ccc(F)cc1 ZINC001571200544 953009615 /nfs/dbraw/zinc/00/96/15/953009615.db2.gz JPOWDUOZKBFEJP-FZMZJTMJSA-N -1 1 382.403 1.806 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)c1ccc(F)cc1 ZINC001571200544 953009623 /nfs/dbraw/zinc/00/96/23/953009623.db2.gz JPOWDUOZKBFEJP-FZMZJTMJSA-N -1 1 382.403 1.806 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@@H](N(C)c3ccc(-c4nnn[n-]4)nn3)C2)c(C)o1 ZINC001571200770 953011719 /nfs/dbraw/zinc/01/17/19/953011719.db2.gz GAABRTRBNCIWJH-CYBMUJFWSA-N -1 1 382.428 1.608 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@@H](N(C)c3ccc(-c4nn[n-]n4)nn3)C2)c(C)o1 ZINC001571200770 953011725 /nfs/dbraw/zinc/01/17/25/953011725.db2.gz GAABRTRBNCIWJH-CYBMUJFWSA-N -1 1 382.428 1.608 20 0 GDADMM Cc1ccc(CC(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)[C@@H]2C)o1 ZINC001571201710 953019840 /nfs/dbraw/zinc/01/98/40/953019840.db2.gz NJFINQRUUCMUMO-OCCSQVGLSA-N -1 1 382.428 1.274 20 0 GDADMM Cc1ccc(CC(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)[C@@H]2C)o1 ZINC001571201710 953019843 /nfs/dbraw/zinc/01/98/43/953019843.db2.gz NJFINQRUUCMUMO-OCCSQVGLSA-N -1 1 382.428 1.274 20 0 GDADMM Cc1occc1C(=O)N1CC[C@H]([C@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571201770 953020077 /nfs/dbraw/zinc/02/00/77/953020077.db2.gz NYFQJSMDZLMBSE-AAEUAGOBSA-N -1 1 382.428 1.829 20 0 GDADMM Cc1occc1C(=O)N1CC[C@H]([C@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571201770 953020080 /nfs/dbraw/zinc/02/00/80/953020080.db2.gz NYFQJSMDZLMBSE-AAEUAGOBSA-N -1 1 382.428 1.829 20 0 GDADMM Cc1ccc([C@@H](C)C(=O)N2CCC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)o1 ZINC001571202084 953022895 /nfs/dbraw/zinc/02/28/95/953022895.db2.gz QUHIWNOWSXDCHD-OLZOCXBDSA-N -1 1 382.428 1.765 20 0 GDADMM Cc1ccc([C@@H](C)C(=O)N2CCC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)o1 ZINC001571202084 953022900 /nfs/dbraw/zinc/02/29/00/953022900.db2.gz QUHIWNOWSXDCHD-OLZOCXBDSA-N -1 1 382.428 1.765 20 0 GDADMM Cc1ccc(CC(=O)N[C@H]2CCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)o1 ZINC001571202176 953023193 /nfs/dbraw/zinc/02/31/93/953023193.db2.gz RLRCPZGOSJEXLL-OCCSQVGLSA-N -1 1 382.428 1.498 20 0 GDADMM Cc1ccc(CC(=O)N[C@H]2CCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)o1 ZINC001571202176 953023195 /nfs/dbraw/zinc/02/31/95/953023195.db2.gz RLRCPZGOSJEXLL-OCCSQVGLSA-N -1 1 382.428 1.498 20 0 GDADMM Cc1ccc(CC(=O)N[C@H]2CCC[C@H]2CNc2nccnc2-c2nnn[n-]2)o1 ZINC001571202174 953023498 /nfs/dbraw/zinc/02/34/98/953023498.db2.gz RLRCPZGOSJEXLL-JSGCOSHPSA-N -1 1 382.428 1.498 20 0 GDADMM Cc1ccc(CC(=O)N[C@H]2CCC[C@H]2CNc2nccnc2-c2nn[n-]n2)o1 ZINC001571202174 953023504 /nfs/dbraw/zinc/02/35/04/953023504.db2.gz RLRCPZGOSJEXLL-JSGCOSHPSA-N -1 1 382.428 1.498 20 0 GDADMM CCCc1cc(C(=O)N2CCC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)[nH]n1 ZINC001571205204 953036922 /nfs/dbraw/zinc/03/69/22/953036922.db2.gz HJKQPSLYYGWJQB-LBPRGKRZSA-N -1 1 382.432 1.049 20 0 GDADMM O=C(c1ccsc1)N1CC[C@@H]2[C@@H](CCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571209641 953066382 /nfs/dbraw/zinc/06/63/82/953066382.db2.gz ADPCGVCCRRGNTG-SMDDNHRTSA-N -1 1 382.453 1.459 20 0 GDADMM O=C(c1ccsc1)N1CC[C@@H]2[C@@H](CCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571209641 953066383 /nfs/dbraw/zinc/06/63/83/953066383.db2.gz ADPCGVCCRRGNTG-SMDDNHRTSA-N -1 1 382.453 1.459 20 0 GDADMM C[C@@H](NC(=O)C1CC2(CC2)C1)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571211524 953077889 /nfs/dbraw/zinc/07/78/89/953077889.db2.gz AMGYPOPIIPKAOH-OLZOCXBDSA-N -1 1 382.472 1.568 20 0 GDADMM CC1(C(=O)N2C[C@@H]3CCC[C@H](Nc4ccc(-c5nnn[n-]5)nn4)[C@@H]3C2)CCC1 ZINC001571211568 953078534 /nfs/dbraw/zinc/07/85/34/953078534.db2.gz BVOILQOHMBRQIQ-MJBXVCDLSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(C(=O)N2C[C@@H]3CCC[C@H](Nc4ccc(-c5nn[n-]n5)nn4)[C@@H]3C2)CCC1 ZINC001571211568 953078538 /nfs/dbraw/zinc/07/85/38/953078538.db2.gz BVOILQOHMBRQIQ-MJBXVCDLSA-N -1 1 382.472 1.886 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)C[C@@H]2C[C@H]2C2CC2)C1)c1cncc(-c2nnn[n-]2)n1 ZINC001571211725 953080427 /nfs/dbraw/zinc/08/04/27/953080427.db2.gz DKJCSPIMMDTLLZ-QEJZJMRPSA-N -1 1 382.472 1.378 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)C[C@@H]2C[C@H]2C2CC2)C1)c1cncc(-c2nn[n-]n2)n1 ZINC001571211725 953080431 /nfs/dbraw/zinc/08/04/31/953080431.db2.gz DKJCSPIMMDTLLZ-QEJZJMRPSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1CCN(C(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001571212227 953086235 /nfs/dbraw/zinc/08/62/35/953086235.db2.gz JQEGLBRVNPKUNY-BBEGDGIKSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CCN(C(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001571212227 953086239 /nfs/dbraw/zinc/08/62/39/953086239.db2.gz JQEGLBRVNPKUNY-BBEGDGIKSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1CCN(C(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001571212228 953086336 /nfs/dbraw/zinc/08/63/36/953086336.db2.gz JQEGLBRVNPKUNY-BBEJJTJUSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1CCN(C(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001571212228 953086338 /nfs/dbraw/zinc/08/63/38/953086338.db2.gz JQEGLBRVNPKUNY-BBEJJTJUSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@]1(NC(=O)C2CCC3(CC3)CC2)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571212569 953088912 /nfs/dbraw/zinc/08/89/12/953088912.db2.gz NEVDWTAZRGWENM-SFHVURJKSA-N -1 1 382.472 1.712 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C3CC3)CC2)CC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571212501 953089801 /nfs/dbraw/zinc/08/98/01/953089801.db2.gz MORXWNPABFAEQJ-OLZOCXBDSA-N -1 1 382.472 1.165 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)C2)n1 ZINC001571212979 953091190 /nfs/dbraw/zinc/09/11/90/953091190.db2.gz PBXHQCDRMSWQEZ-LJISPDSOSA-N -1 1 382.472 1.804 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)C2)n1 ZINC001571212979 953091193 /nfs/dbraw/zinc/09/11/93/953091193.db2.gz PBXHQCDRMSWQEZ-LJISPDSOSA-N -1 1 382.472 1.804 20 0 GDADMM CC1(C)CC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001571213000 953092640 /nfs/dbraw/zinc/09/26/40/953092640.db2.gz PIWBUSKEPNWTRI-HZSPNIEDSA-N -1 1 382.472 1.663 20 0 GDADMM CC1(C)CC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001571213000 953092642 /nfs/dbraw/zinc/09/26/42/953092642.db2.gz PIWBUSKEPNWTRI-HZSPNIEDSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CC(C1CC1)C1CC1 ZINC001571213245 953093064 /nfs/dbraw/zinc/09/30/64/953093064.db2.gz QBAMNRQQWLLDOD-IAQYHMDHSA-N -1 1 382.472 1.884 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CC(C1CC1)C1CC1 ZINC001571213245 953093067 /nfs/dbraw/zinc/09/30/67/953093067.db2.gz QBAMNRQQWLLDOD-IAQYHMDHSA-N -1 1 382.472 1.884 20 0 GDADMM C[C@H](NC(=O)[C@H]1CC12CCC2)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571213637 953096673 /nfs/dbraw/zinc/09/66/73/953096673.db2.gz SMBKTWXLOJLEOZ-GXTWGEPZSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H]1CCN(C(=O)C2CC3(CC3)C2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571214071 953099110 /nfs/dbraw/zinc/09/91/10/953099110.db2.gz WEZGBLHOZGFJEW-TZMCWYRMSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@@H]1CCN(C(=O)C2CC3(CC3)C2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571214071 953099118 /nfs/dbraw/zinc/09/91/18/953099118.db2.gz WEZGBLHOZGFJEW-TZMCWYRMSA-N -1 1 382.472 1.743 20 0 GDADMM CC1(CC(=O)N2C[C@@H]3CCC[C@@H](Nc4nccnc4-c4nnn[n-]4)[C@@H]3C2)CC1 ZINC001571214489 953102687 /nfs/dbraw/zinc/10/26/87/953102687.db2.gz ZWXKGOGGOVMEJB-BFHYXJOUSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(CC(=O)N2C[C@@H]3CCC[C@@H](Nc4nccnc4-c4nn[n-]n4)[C@@H]3C2)CC1 ZINC001571214489 953102690 /nfs/dbraw/zinc/10/26/90/953102690.db2.gz ZWXKGOGGOVMEJB-BFHYXJOUSA-N -1 1 382.472 1.886 20 0 GDADMM O=S(=O)(Cc1ccccc1F)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001571217249 953106255 /nfs/dbraw/zinc/10/62/55/953106255.db2.gz DCCIWHCMJPEJJD-UHFFFAOYSA-N -1 1 383.355 1.904 20 0 GDADMM O=S(=O)(Cc1ccccc1F)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001571217249 953106259 /nfs/dbraw/zinc/10/62/59/953106259.db2.gz DCCIWHCMJPEJJD-UHFFFAOYSA-N -1 1 383.355 1.904 20 0 GDADMM O=C(C1CCCCC1)N1CC[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001571217334 953107435 /nfs/dbraw/zinc/10/74/35/953107435.db2.gz FTEBZSDQMGPLLC-CABCVRRESA-N -1 1 382.472 1.807 20 0 GDADMM O=C(C1CCCCC1)N1CC[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001571217334 953107440 /nfs/dbraw/zinc/10/74/40/953107440.db2.gz FTEBZSDQMGPLLC-CABCVRRESA-N -1 1 382.472 1.807 20 0 GDADMM O=C(C[C@@H]1C[C@H]1C1CC1)N1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571217703 953110868 /nfs/dbraw/zinc/11/08/68/953110868.db2.gz IUFUBBGHEZDPSC-QEJZJMRPSA-N -1 1 382.472 1.743 20 0 GDADMM O=C(C[C@@H]1C[C@H]1C1CC1)N1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571217703 953110870 /nfs/dbraw/zinc/11/08/70/953110870.db2.gz IUFUBBGHEZDPSC-QEJZJMRPSA-N -1 1 382.472 1.743 20 0 GDADMM O=C(N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1)[C@@H]1CC12CCCC2 ZINC001571217713 953111074 /nfs/dbraw/zinc/11/10/74/953111074.db2.gz JBRQWPYKGSRFMD-KGLIPLIRSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1)[C@@H]1CC12CCCC2 ZINC001571217713 953111075 /nfs/dbraw/zinc/11/10/75/953111075.db2.gz JBRQWPYKGSRFMD-KGLIPLIRSA-N -1 1 382.472 1.712 20 0 GDADMM O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCCCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571217960 953112064 /nfs/dbraw/zinc/11/20/64/953112064.db2.gz JJNZCACPJFEZSU-YJNKXOJESA-N -1 1 382.472 1.308 20 0 GDADMM O=C(N[C@H]1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ncccc1F ZINC001571218903 953120816 /nfs/dbraw/zinc/12/08/16/953120816.db2.gz GMEBRNJJDRQFDL-MNOVXSKESA-N -1 1 383.391 1.344 20 0 GDADMM O=C(N[C@H]1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ncccc1F ZINC001571218903 953120817 /nfs/dbraw/zinc/12/08/17/953120817.db2.gz GMEBRNJJDRQFDL-MNOVXSKESA-N -1 1 383.391 1.344 20 0 GDADMM O=S1(=O)C[C@@H](CNc2snc(Cl)c2-c2nnn[n-]2)c2ccccc21 ZINC001571219114 953122344 /nfs/dbraw/zinc/12/23/44/953122344.db2.gz VPSBFRJAYKXLES-SSDOTTSWSA-N -1 1 382.858 1.960 20 0 GDADMM O=S1(=O)C[C@@H](CNc2snc(Cl)c2-c2nn[n-]n2)c2ccccc21 ZINC001571219114 953122347 /nfs/dbraw/zinc/12/23/47/953122347.db2.gz VPSBFRJAYKXLES-SSDOTTSWSA-N -1 1 382.858 1.960 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCN(C(=O)c3ncccc3F)C2)n1 ZINC001571219278 953123974 /nfs/dbraw/zinc/12/39/74/953123974.db2.gz NJERCVNYQYIMPL-LLVKDONJSA-N -1 1 383.391 1.073 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCN(C(=O)c3ncccc3F)C2)n1 ZINC001571219278 953123975 /nfs/dbraw/zinc/12/39/75/953123975.db2.gz NJERCVNYQYIMPL-LLVKDONJSA-N -1 1 383.391 1.073 20 0 GDADMM O=C(NCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)[C@@H]1C[C@H]1C1CCC1 ZINC001571219403 953126043 /nfs/dbraw/zinc/12/60/43/953126043.db2.gz YZNFMFDWMZHAHF-LSDHHAIUSA-N -1 1 382.472 1.426 20 0 GDADMM O=C(NCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)[C@@H]1C[C@H]1C1CCC1 ZINC001571219403 953126044 /nfs/dbraw/zinc/12/60/44/953126044.db2.gz YZNFMFDWMZHAHF-LSDHHAIUSA-N -1 1 382.472 1.426 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571222180 953131662 /nfs/dbraw/zinc/13/16/62/953131662.db2.gz DPMYTKKPKKSFCS-NSHDSACASA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571222180 953131663 /nfs/dbraw/zinc/13/16/63/953131663.db2.gz DPMYTKKPKKSFCS-NSHDSACASA-N -1 1 383.416 1.167 20 0 GDADMM CCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)Cc2ccon2)CC1 ZINC001571222369 953134210 /nfs/dbraw/zinc/13/42/10/953134210.db2.gz GWTZACUOAGHDDM-UHFFFAOYSA-N -1 1 383.416 1.071 20 0 GDADMM CCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)Cc2ccon2)CC1 ZINC001571222369 953134212 /nfs/dbraw/zinc/13/42/12/953134212.db2.gz GWTZACUOAGHDDM-UHFFFAOYSA-N -1 1 383.416 1.071 20 0 GDADMM Cc1nc(C(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C[C@H]2C)c(C)o1 ZINC001571226693 953157030 /nfs/dbraw/zinc/15/70/30/953157030.db2.gz WCEHGOLJKFQDPE-SKDRFNHKSA-N -1 1 383.416 1.367 20 0 GDADMM Cc1nc(C(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C[C@H]2C)c(C)o1 ZINC001571226693 953157032 /nfs/dbraw/zinc/15/70/32/953157032.db2.gz WCEHGOLJKFQDPE-SKDRFNHKSA-N -1 1 383.416 1.367 20 0 GDADMM CCc1cccc(C(=O)N(C)C2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)n1 ZINC001571233895 953196949 /nfs/dbraw/zinc/19/69/49/953196949.db2.gz HGPLGPQXKCSLOM-UHFFFAOYSA-N -1 1 383.481 1.842 20 0 GDADMM O=C([C@H]1CCOC1)N1CC[C@H](CNc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571234550 953203036 /nfs/dbraw/zinc/20/30/36/953203036.db2.gz BKEJCXGSYIOEBG-BDAKNGLRSA-N -1 1 383.865 1.274 20 0 GDADMM C[C@@H]1CN(C(=O)[C@H]2CCCO2)C[C@H]1Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001571234567 953203598 /nfs/dbraw/zinc/20/35/98/953203598.db2.gz BWKLIJWQGJWSES-IWSPIJDZSA-N -1 1 383.865 1.414 20 0 GDADMM C[C@@H]1CN(C(=O)[C@@H]2CCCO2)C[C@H]1Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001571234566 953203650 /nfs/dbraw/zinc/20/36/50/953203650.db2.gz BWKLIJWQGJWSES-HLTSFMKQSA-N -1 1 383.865 1.414 20 0 GDADMM O=C(c1cnns1)N1CC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571234764 953205464 /nfs/dbraw/zinc/20/54/64/953205464.db2.gz IDSINVSWUFALHL-YFKPBYRVSA-N -1 1 383.850 1.155 20 0 GDADMM O=C(c1cnns1)N1CC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571234764 953205466 /nfs/dbraw/zinc/20/54/66/953205466.db2.gz IDSINVSWUFALHL-YFKPBYRVSA-N -1 1 383.850 1.155 20 0 GDADMM C[C@@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)C[C@H]1NC(=O)[C@H]1CCCO1 ZINC001571235288 953211318 /nfs/dbraw/zinc/21/13/18/953211318.db2.gz ZCVOAFFHFUQWFQ-IWSPIJDZSA-N -1 1 383.865 1.097 20 0 GDADMM C[C@@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)C[C@H]1NC(=O)[C@H]1CCCO1 ZINC001571235288 953211321 /nfs/dbraw/zinc/21/13/21/953211321.db2.gz ZCVOAFFHFUQWFQ-IWSPIJDZSA-N -1 1 383.865 1.097 20 0 GDADMM Cc1sccc1C(=O)NC[C@H]1CCCN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001571244533 953264193 /nfs/dbraw/zinc/26/41/93/953264193.db2.gz AHBSZDHUBZGHLE-GFCCVEGCSA-N -1 1 384.469 1.734 20 0 GDADMM Cc1sccc1C(=O)NC[C@H]1CCCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001571244533 953264198 /nfs/dbraw/zinc/26/41/98/953264198.db2.gz AHBSZDHUBZGHLE-GFCCVEGCSA-N -1 1 384.469 1.734 20 0 GDADMM CCc1sc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)cc1C ZINC001571244574 953264721 /nfs/dbraw/zinc/26/47/21/953264721.db2.gz BHVYLIPBSCVBLR-LLVKDONJSA-N -1 1 384.469 1.598 20 0 GDADMM Cc1ccsc1C(=O)N1CCC(C)(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571244697 953265981 /nfs/dbraw/zinc/26/59/81/953265981.db2.gz FLGLDXFHSGPOBO-UHFFFAOYSA-N -1 1 384.469 1.555 20 0 GDADMM Cc1csc(C(=O)N[C@H]2CC[C@H](C)N(c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571244918 953268588 /nfs/dbraw/zinc/26/85/88/953268588.db2.gz MATBWLFAZPYRLL-RYUDHWBXSA-N -1 1 384.469 1.814 20 0 GDADMM Cc1csc(C(=O)N[C@H]2CC[C@H](C)N(c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571244918 953268590 /nfs/dbraw/zinc/26/85/90/953268590.db2.gz MATBWLFAZPYRLL-RYUDHWBXSA-N -1 1 384.469 1.814 20 0 GDADMM Cc1nsc(N2CC[C@@H](CNC(=O)c3ccnc(C)c3)C2)c1-c1nn[n-]n1 ZINC001571245022 953269084 /nfs/dbraw/zinc/26/90/84/953269084.db2.gz MDJSIFIKPURCHI-LBPRGKRZSA-N -1 1 384.469 1.591 20 0 GDADMM C[C@@H]1C[C@@H](NC(=O)Cc2cccs2)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571245196 953271808 /nfs/dbraw/zinc/27/18/08/953271808.db2.gz FGIDZMUMJVULPQ-NEPJUHHUSA-N -1 1 384.469 1.434 20 0 GDADMM CCc1nc(N[C@@H]2CCCN(C(=O)c3ccsc3)C2)cc(-c2nnn[n-]2)n1 ZINC001571245641 953275384 /nfs/dbraw/zinc/27/53/84/953275384.db2.gz XXTBFJXZXAWIRC-GFCCVEGCSA-N -1 1 384.469 1.997 20 0 GDADMM CCc1nc(N[C@@H]2CCCN(C(=O)c3ccsc3)C2)cc(-c2nn[n-]n2)n1 ZINC001571245641 953275387 /nfs/dbraw/zinc/27/53/87/953275387.db2.gz XXTBFJXZXAWIRC-GFCCVEGCSA-N -1 1 384.469 1.997 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C)c1cccs1 ZINC001571246365 953282754 /nfs/dbraw/zinc/28/27/54/953282754.db2.gz ZETXJFDMSIYBNZ-TUAOUCFPSA-N -1 1 384.469 1.605 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C)c1cccs1 ZINC001571246365 953282756 /nfs/dbraw/zinc/28/27/56/953282756.db2.gz ZETXJFDMSIYBNZ-TUAOUCFPSA-N -1 1 384.469 1.605 20 0 GDADMM CC(C)[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571249475 953305553 /nfs/dbraw/zinc/30/55/53/953305553.db2.gz JPITWNHZFQGVAA-TYILLQQXSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571249475 953305557 /nfs/dbraw/zinc/30/55/57/953305557.db2.gz JPITWNHZFQGVAA-TYILLQQXSA-N -1 1 384.488 1.989 20 0 GDADMM CCC1(C(=O)N2C[C@@H](C)[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCCCC1 ZINC001571250073 953307875 /nfs/dbraw/zinc/30/78/75/953307875.db2.gz NSHLWDGUGJJXMG-ZIAGYGMSSA-N -1 1 384.488 1.698 20 0 GDADMM CC[C@H]1CN(C(=O)C2CC(C)(C)C2)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571250197 953309689 /nfs/dbraw/zinc/30/96/89/953309689.db2.gz OFXZIUZSPTXMNP-JSGCOSHPSA-N -1 1 384.488 1.554 20 0 GDADMM CC1(C)CC[C@H]1C(=O)NC[C@H]1CCCCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571251384 953316298 /nfs/dbraw/zinc/31/62/98/953316298.db2.gz WVCLNGIPHODVIK-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CC[C@H]1C(=O)NC[C@H]1CCCCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571251384 953316300 /nfs/dbraw/zinc/31/63/00/953316300.db2.gz WVCLNGIPHODVIK-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@H]3CC[C@@H](C2)N3C(=O)C(CC)CC)n1 ZINC001571252097 953323829 /nfs/dbraw/zinc/32/38/29/953323829.db2.gz HCJDSYUZSOFFNB-OKILXGFUSA-N -1 1 384.488 1.835 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@H]3CC[C@@H](C2)N3C(=O)C(CC)CC)n1 ZINC001571252097 953323834 /nfs/dbraw/zinc/32/38/34/953323834.db2.gz HCJDSYUZSOFFNB-OKILXGFUSA-N -1 1 384.488 1.835 20 0 GDADMM O=C(C1=COCCC1)N1CCC[C@@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571252368 953327600 /nfs/dbraw/zinc/32/76/00/953327600.db2.gz ZPDXZQXMOSXJTB-ZDUSSCGKSA-N -1 1 384.444 1.392 20 0 GDADMM O=C(C1=COCCC1)N1CCC[C@@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571252368 953327603 /nfs/dbraw/zinc/32/76/03/953327603.db2.gz ZPDXZQXMOSXJTB-ZDUSSCGKSA-N -1 1 384.444 1.392 20 0 GDADMM CN(CCC1CCN(C(=O)CC2(C)CC2)CC1)c1nccnc1-c1nnn[n-]1 ZINC001571252653 953330675 /nfs/dbraw/zinc/33/06/75/953330675.db2.gz SMYXAPYXLLSJNC-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CN(CCC1CCN(C(=O)CC2(C)CC2)CC1)c1nccnc1-c1nn[n-]n1 ZINC001571252653 953330678 /nfs/dbraw/zinc/33/06/78/953330678.db2.gz SMYXAPYXLLSJNC-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cccc(Cl)c1 ZINC001571255077 953345500 /nfs/dbraw/zinc/34/55/00/953345500.db2.gz HMKFSDZXUIVWJS-ZDUSSCGKSA-N -1 1 384.831 1.709 20 0 GDADMM O=C([O-])C1CC2(C1)CC[C@H](CNC(=O)c1ncc(Br)cc1O)O2 ZINC001594750851 953429093 /nfs/dbraw/zinc/42/90/93/953429093.db2.gz RUHBEFSFWMKDFK-IXZKOCCXSA-N -1 1 385.214 1.692 20 0 GDADMM O=C([O-])CC[C@H]1CCCCN1CC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000424262495 953441018 /nfs/dbraw/zinc/44/10/18/953441018.db2.gz QNPXINLDQPDXMA-GFCCVEGCSA-N -1 1 376.392 1.459 20 0 GDADMM CC[C@H](C)[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O)C(=O)[O-] ZINC001593613691 953477817 /nfs/dbraw/zinc/47/78/17/953477817.db2.gz WJCJLBFNHFQVOW-NHYWBVRUSA-N -1 1 384.454 1.406 20 0 GDADMM O=C([O-])[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CCCCC1)c1ccccc1 ZINC001594785569 953667037 /nfs/dbraw/zinc/66/70/37/953667037.db2.gz RCQKURLXFZCXFV-ROUUACIJSA-N -1 1 398.463 1.959 20 0 GDADMM Cc1ccc(-c2cc(C(=O)N3CCS(=O)(=O)C[C@@H]3C(=O)[O-])n[nH]2)cc1C ZINC000643433288 953908843 /nfs/dbraw/zinc/90/88/43/953908843.db2.gz WZQCQMGEPVYHCF-OAHLLOKOSA-N -1 1 377.422 1.017 20 0 GDADMM C[C@@H]1CN(Cc2ccc(CNC(=O)[C@@]3(C(=O)[O-])CCCO3)cc2)C[C@@H](C)O1 ZINC001589399303 954401381 /nfs/dbraw/zinc/40/13/81/954401381.db2.gz OTGHAJAHDOWVJG-STXHMFSFSA-N -1 1 376.453 1.546 20 0 GDADMM CN(CCCN(C)C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O)Cc1ccco1 ZINC001593750963 954409395 /nfs/dbraw/zinc/40/93/95/954409395.db2.gz 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Cn1c(=O)c2ccc(C(=O)N[C@@H](C(=O)[O-])c3ccc(F)cc3)cc2[nH]c1=S ZINC001594522564 955466137 /nfs/dbraw/zinc/46/61/37/955466137.db2.gz ZQNYVAWWMWAFFV-CQSZACIVSA-N -1 1 387.392 1.917 20 0 GDADMM COC(=O)c1ccc(CNC(=O)[C@H](C)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC001593879484 955697323 /nfs/dbraw/zinc/69/73/23/955697323.db2.gz LTZMTWZWAFPOEG-KSSFIOAISA-N -1 1 384.432 1.763 20 0 GDADMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1noc2c1CCCC2 ZINC000851704699 955833482 /nfs/dbraw/zinc/83/34/82/955833482.db2.gz ZKEYGUZZINRDBZ-SKDRFNHKSA-N -1 1 389.330 1.290 20 0 GDADMM O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1Cc1ccc(-n2cccn2)cc1 ZINC000852737483 955850387 /nfs/dbraw/zinc/85/03/87/955850387.db2.gz SYVCHPYAFOMFFT-GJZGRUSLSA-N -1 1 396.369 1.968 20 0 GDADMM O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCC[N@@H+]1Cc1cc(CO)ccc1F ZINC000863533527 955922697 /nfs/dbraw/zinc/92/26/97/955922697.db2.gz QUEMTGISGHMLQD-STQMWFEESA-N -1 1 378.322 1.414 20 0 GDADMM 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Cc1c(Br)cc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)c(=O)n1C ZINC000332248961 532174603 /nfs/dbraw/zinc/17/46/03/532174603.db2.gz BYUWWZVRCGZFCD-SECBINFHSA-N -1 1 397.229 1.565 20 0 GDADMM CCOc1cc(C(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)cc(Cl)c1[O-] ZINC000273891204 532176107 /nfs/dbraw/zinc/17/61/07/532176107.db2.gz VJYHOZZJLIOIBF-ZWNOBZJWSA-N -1 1 390.889 1.892 20 0 GDADMM Cc1nc(S(=O)(=O)[N-][C@@H](C)C(=O)NC(C)(C)C)c(Br)n1C ZINC000286798769 532176906 /nfs/dbraw/zinc/17/69/06/532176906.db2.gz YOMRVOUEIHLJNE-ZETCQYMHSA-N -1 1 381.296 1.073 20 0 GDADMM CS(=O)(=O)c1cccnc1CNC(=O)c1ccc(Br)c([O-])c1 ZINC000428027093 532196218 /nfs/dbraw/zinc/19/62/18/532196218.db2.gz JPBGFWNVCPCISR-UHFFFAOYSA-N -1 1 385.239 1.883 20 0 GDADMM Cc1nc(S(=O)(=O)[N-][C@]2(C)CCO[C@H]2C2CC2)c(Br)n1C ZINC000376317195 532205568 /nfs/dbraw/zinc/20/55/68/532205568.db2.gz SRIFFVRXMFBMBJ-GXFFZTMASA-N -1 1 378.292 1.727 20 0 GDADMM Cc1nc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c(Br)n1C ZINC000376322603 532206668 /nfs/dbraw/zinc/20/66/68/532206668.db2.gz NEWRXCGHGIXPHI-HBNTYKKESA-N -1 1 392.319 1.973 20 0 GDADMM COC[C@@](C)([N-]S(=O)(=O)Cc1cccc(Br)c1)C(=O)OC ZINC000287668840 532232818 /nfs/dbraw/zinc/23/28/18/532232818.db2.gz DDEQVDWZZFZSMU-CYBMUJFWSA-N -1 1 380.260 1.447 20 0 GDADMM O=C([O-])[C@@H]1[C@H]2CCC[N@H+]2CCN1S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000377159194 532245660 /nfs/dbraw/zinc/24/56/60/532245660.db2.gz WBDXXOLXEHCKRA-KGLIPLIRSA-N -1 1 376.837 1.542 20 0 GDADMM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2S(N)(=O)=O)c1 ZINC000432044695 532277652 /nfs/dbraw/zinc/27/76/52/532277652.db2.gz AGNMUFMTMIIZGY-UHFFFAOYSA-N -1 1 388.854 1.991 20 0 GDADMM CC[C@@H]1[C@H](C)CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(C)cn1 ZINC000349450338 532285753 /nfs/dbraw/zinc/28/57/53/532285753.db2.gz ADDMWTXWPWFJPI-HUUCEWRRSA-N -1 1 389.543 1.972 20 0 GDADMM O=C([O-])CN1CCCN(S(=O)(=O)c2cc(F)ccc2Br)CC1 ZINC000275311816 532286161 /nfs/dbraw/zinc/28/61/61/532286161.db2.gz OCXSFNIZYZLWPO-UHFFFAOYSA-N -1 1 395.250 1.369 20 0 GDADMM Cn1[n-]cc2/c(=N\C(=O)C(=O)N3CC[C@@]4(C)[C@@H](C3)C4(Cl)Cl)ccnc1-2 ZINC000288538709 532295524 /nfs/dbraw/zinc/29/55/24/532295524.db2.gz VTAKHGLDPIBBPE-ZDEVNTADSA-N -1 1 382.251 1.323 20 0 GDADMM Cn1cnc(S(=O)(=O)[N-]CCc2nnc(-c3ccccc3)n2C)c1Cl ZINC000275522934 532298881 /nfs/dbraw/zinc/29/88/81/532298881.db2.gz VQEICZUVYYOPAW-UHFFFAOYSA-N -1 1 380.861 1.390 20 0 GDADMM CSc1nnc(C[N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)s1 ZINC000275624318 532303346 /nfs/dbraw/zinc/30/33/46/532303346.db2.gz PFDLGSSEZLDPKG-UHFFFAOYSA-N -1 1 379.510 1.142 20 0 GDADMM COCCN1CC[C@@H]([N-]S(=O)(=O)c2cc(Br)cnc2Cl)C1 ZINC000275625679 532303452 /nfs/dbraw/zinc/30/34/52/532303452.db2.gz IZBWJHAYJIEBGN-SNVBAGLBSA-N -1 1 398.710 1.497 20 0 GDADMM COC(=O)[C@H](c1cccc(Br)c1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000289454493 532325169 /nfs/dbraw/zinc/32/51/69/532325169.db2.gz PKCNVIMQODMLDL-AAEUAGOBSA-N -1 1 395.257 1.954 20 0 GDADMM CCOC(=O)[C@H]([N-]S(=O)(=O)[C@@H]1CCO[C@@H]1C)c1ccc(OC)c(F)c1 ZINC000276205647 532322795 /nfs/dbraw/zinc/32/27/95/532322795.db2.gz OBSCJKCEDRGMQM-VCTAVGKDSA-N -1 1 375.418 1.535 20 0 GDADMM CN(C)C(=O)Cc1nc(Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)cs1 ZINC000736748234 598825067 /nfs/dbraw/zinc/82/50/67/598825067.db2.gz UZDXYGRZMITQLY-UHFFFAOYSA-N -1 1 395.448 1.317 20 0 GDADMM Cc1nc(-c2ccncc2)nc(NCCCc2[nH]nc(N)c2-c2nn[n-]n2)c1C ZINC000737464810 598829493 /nfs/dbraw/zinc/82/94/93/598829493.db2.gz YYIXOCKAHDFBIP-UHFFFAOYSA-N -1 1 391.443 1.107 20 0 GDADMM CS(=O)(=O)CC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000737163343 598836243 /nfs/dbraw/zinc/83/62/43/598836243.db2.gz VVKPKJBZRIEKQS-UHFFFAOYSA-N -1 1 377.451 1.256 20 0 GDADMM C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c2ccccc2O1 ZINC000736291324 598844332 /nfs/dbraw/zinc/84/43/32/598844332.db2.gz VMNXSXZJKLNSDJ-SNVBAGLBSA-N -1 1 375.385 1.982 20 0 GDADMM C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c2ccccc2O1 ZINC000736291324 598844334 /nfs/dbraw/zinc/84/43/34/598844334.db2.gz VMNXSXZJKLNSDJ-SNVBAGLBSA-N -1 1 375.385 1.982 20 0 GDADMM CCc1ocnc1C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000736712249 598845071 /nfs/dbraw/zinc/84/50/71/598845071.db2.gz AFQJCWKKBKBPBF-UHFFFAOYSA-N -1 1 384.400 1.245 20 0 GDADMM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ncc(-c2ccccc2)o1 ZINC000736131310 598876710 /nfs/dbraw/zinc/87/67/10/598876710.db2.gz PZNNTIYQZIPYRX-NSHDSACASA-N -1 1 397.420 1.956 20 0 GDADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ncc(-c2ccccc2)o1 ZINC000736131310 598876712 /nfs/dbraw/zinc/87/67/12/598876712.db2.gz PZNNTIYQZIPYRX-NSHDSACASA-N -1 1 397.420 1.956 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@H](C)c2c(C)noc2C)cc1-c1nn[n-]n1 ZINC000737188068 598878836 /nfs/dbraw/zinc/87/88/36/598878836.db2.gz XODYGIYJJMEONJ-ZCFIWIBFSA-N -1 1 375.414 1.785 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CCO[C@H](C(F)(F)F)C2)cc1-c1nn[n-]n1 ZINC000737187041 598891831 /nfs/dbraw/zinc/89/18/31/598891831.db2.gz NYFAIYAAYACZNO-QMMMGPOBSA-N -1 1 390.347 1.093 20 0 GDADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc2c(c1)NC(=O)CO2 ZINC000737225490 598947588 /nfs/dbraw/zinc/94/75/88/598947588.db2.gz OYNRZQWXKSIOHX-UHFFFAOYSA-N -1 1 386.393 1.307 20 0 GDADMM O=C(NCC1CC1)[C@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000738043896 598960905 /nfs/dbraw/zinc/96/09/05/598960905.db2.gz GFXBPYSHIURJGZ-ZDUSSCGKSA-N -1 1 378.440 1.553 20 0 GDADMM O=C(NCC1CC1)[C@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000738043896 598960908 /nfs/dbraw/zinc/96/09/08/598960908.db2.gz GFXBPYSHIURJGZ-ZDUSSCGKSA-N -1 1 378.440 1.553 20 0 GDADMM CC(C)(C)C(=O)N[C@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000735587218 598966241 /nfs/dbraw/zinc/96/62/41/598966241.db2.gz QSZHHFUXEBPTDN-LBPRGKRZSA-N -1 1 380.456 1.941 20 0 GDADMM CC(C)(C)C(=O)N[C@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000735587218 598966243 /nfs/dbraw/zinc/96/62/43/598966243.db2.gz QSZHHFUXEBPTDN-LBPRGKRZSA-N -1 1 380.456 1.941 20 0 GDADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000738433738 598968118 /nfs/dbraw/zinc/96/81/18/598968118.db2.gz UXDKOQIJTIPKPP-GFCCVEGCSA-N -1 1 388.439 1.732 20 0 GDADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000738433738 598968119 /nfs/dbraw/zinc/96/81/19/598968119.db2.gz UXDKOQIJTIPKPP-GFCCVEGCSA-N -1 1 388.439 1.732 20 0 GDADMM CC[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1cc(F)ccc1F ZINC000736370932 599008197 /nfs/dbraw/zinc/00/81/97/599008197.db2.gz UIFAOFIMMILYFF-ZDUSSCGKSA-N -1 1 380.380 1.970 20 0 GDADMM CC[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1cc(F)ccc1F ZINC000736370932 599008199 /nfs/dbraw/zinc/00/81/99/599008199.db2.gz UIFAOFIMMILYFF-ZDUSSCGKSA-N -1 1 380.380 1.970 20 0 GDADMM CCOC(=O)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)Cc1ccccc1 ZINC000736590123 599025446 /nfs/dbraw/zinc/02/54/46/599025446.db2.gz FGOOYZOOROQWEH-OAHLLOKOSA-N -1 1 380.408 1.414 20 0 GDADMM CCOC(=O)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)Cc1ccccc1 ZINC000736590123 599025448 /nfs/dbraw/zinc/02/54/48/599025448.db2.gz FGOOYZOOROQWEH-OAHLLOKOSA-N -1 1 380.408 1.414 20 0 GDADMM COc1ccc(CN(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000737091823 599031934 /nfs/dbraw/zinc/03/19/34/599031934.db2.gz ZCHCENDHPNWMFJ-UHFFFAOYSA-N -1 1 377.401 1.835 20 0 GDADMM COc1ccc(CN(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000737091823 599031937 /nfs/dbraw/zinc/03/19/37/599031937.db2.gz ZCHCENDHPNWMFJ-UHFFFAOYSA-N -1 1 377.401 1.835 20 0 GDADMM CC[C@@H]1COCCN1CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000736404828 599082134 /nfs/dbraw/zinc/08/21/34/599082134.db2.gz BWXNIDVISLRLCF-CYBMUJFWSA-N -1 1 382.428 1.102 20 0 GDADMM CC[C@@H]1COCCN1CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736404828 599082136 /nfs/dbraw/zinc/08/21/36/599082136.db2.gz BWXNIDVISLRLCF-CYBMUJFWSA-N -1 1 382.428 1.102 20 0 GDADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)c1ccccc1I ZINC000021958197 599777122 /nfs/dbraw/zinc/77/71/22/599777122.db2.gz ULFOSXAOVXISLS-NSHDSACASA-N -1 1 385.161 1.440 20 0 GDADMM Cc1nccn1CCCCNC(=O)CCc1c(C)[nH]c(=O)c(-c2nnn[n-]2)c1C ZINC000737199524 599102712 /nfs/dbraw/zinc/10/27/12/599102712.db2.gz HNZRMNQUQJIVQR-UHFFFAOYSA-N -1 1 398.471 1.618 20 0 GDADMM CCCCOC(=O)[C@H](C)OC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000736461477 599116984 /nfs/dbraw/zinc/11/69/84/599116984.db2.gz REAUJJMDWIGNNM-LBPRGKRZSA-N -1 1 391.428 1.792 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)NCc1ccc(Cl)cc1 ZINC000736158046 599131833 /nfs/dbraw/zinc/13/18/33/599131833.db2.gz OMIPTDYFBXBEOM-JTQLQIEISA-N -1 1 386.799 1.777 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)NCc1ccc(Cl)cc1 ZINC000736158046 599131834 /nfs/dbraw/zinc/13/18/34/599131834.db2.gz OMIPTDYFBXBEOM-JTQLQIEISA-N -1 1 386.799 1.777 20 0 GDADMM CCCC[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)Nc1cc(C)on1 ZINC000736436651 599135233 /nfs/dbraw/zinc/13/52/33/599135233.db2.gz FHBVTGZWKHTLDM-CYBMUJFWSA-N -1 1 385.384 1.912 20 0 GDADMM CCCC[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)Nc1cc(C)on1 ZINC000736436651 599135236 /nfs/dbraw/zinc/13/52/36/599135236.db2.gz FHBVTGZWKHTLDM-CYBMUJFWSA-N -1 1 385.384 1.912 20 0 GDADMM COC(=O)C1(N(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CCCC1 ZINC000821654305 607259478 /nfs/dbraw/zinc/25/94/78/607259478.db2.gz ZVJAWYDWTNAMCJ-UHFFFAOYSA-N -1 1 383.405 1.112 20 0 GDADMM Cc1c(C[S@@](C)=O)cccc1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000737215931 599197569 /nfs/dbraw/zinc/19/75/69/599197569.db2.gz OZKFCMFTIGDQDC-RUZDIDTESA-N -1 1 391.478 1.854 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCC[C@H](O)c1ccccc1 ZINC000822005141 599197700 /nfs/dbraw/zinc/19/77/00/599197700.db2.gz OXYAITALTSMQGS-INIZCTEOSA-N -1 1 396.451 1.757 20 0 GDADMM CCOC(=O)C1=C(CN(C)CC(=O)[O-])NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000739467740 596907118 /nfs/dbraw/zinc/90/71/18/596907118.db2.gz GQSMJCCYUCYDPL-HNNXBMFYSA-N -1 1 381.816 1.528 20 0 GDADMM CCOC(=O)C1C(CN(C)CC(=O)[O-])=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000739467740 596907126 /nfs/dbraw/zinc/90/71/26/596907126.db2.gz GQSMJCCYUCYDPL-HNNXBMFYSA-N -1 1 381.816 1.528 20 0 GDADMM COc1ccc(C[C@@]2(C)NC(=O)N(CN3CCC[C@@H](CC(=O)[O-])C3)C2=O)cc1 ZINC000818585340 597047405 /nfs/dbraw/zinc/04/74/05/597047405.db2.gz YPUDVALDDMBXJY-MGPUTAFESA-N -1 1 389.452 1.692 20 0 GDADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OC[C@H]2CCC[N@@H+]2CC(=O)[O-])o1 ZINC000819914716 598062557 /nfs/dbraw/zinc/06/25/57/598062557.db2.gz CYRXRBAOMRRPGO-LLVKDONJSA-N -1 1 388.442 1.062 20 0 GDADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OC[C@H]2CCC[N@H+]2CC(=O)[O-])o1 ZINC000819914716 598062558 /nfs/dbraw/zinc/06/25/58/598062558.db2.gz CYRXRBAOMRRPGO-LLVKDONJSA-N -1 1 388.442 1.062 20 0 GDADMM CCOC(=O)c1c(C)[nH]c(C(=O)Cn2ccc(C)c(-c3nn[n-]n3)c2=O)c1C ZINC000821338321 607348122 /nfs/dbraw/zinc/34/81/22/607348122.db2.gz XPOBUNOWGAOJQU-UHFFFAOYSA-N -1 1 384.396 1.341 20 0 GDADMM CC(C)(C)c1csc(CCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC000735652487 598253596 /nfs/dbraw/zinc/25/35/96/598253596.db2.gz NECTUZKKIAIQOS-UHFFFAOYSA-N -1 1 393.498 1.537 20 0 GDADMM CC(C)(C)c1csc(CCNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC000735652487 598253597 /nfs/dbraw/zinc/25/35/97/598253597.db2.gz NECTUZKKIAIQOS-UHFFFAOYSA-N -1 1 393.498 1.537 20 0 GDADMM C[C@@H]1CCC[C@H]1NC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000736263763 598257009 /nfs/dbraw/zinc/25/70/09/598257009.db2.gz SBQARHSXJFXRBO-DGCLKSJQSA-N -1 1 386.460 1.752 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@H](O)Cc1ccccc1 ZINC000737200247 598260359 /nfs/dbraw/zinc/26/03/59/598260359.db2.gz KYQPELMUDZMFDQ-OAHLLOKOSA-N -1 1 396.451 1.237 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000738355818 598265030 /nfs/dbraw/zinc/26/50/30/598265030.db2.gz ULHQICGACPLJRB-UHFFFAOYSA-N -1 1 399.411 1.629 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000738355818 598265033 /nfs/dbraw/zinc/26/50/33/598265033.db2.gz ULHQICGACPLJRB-UHFFFAOYSA-N -1 1 399.411 1.629 20 0 GDADMM O=S(=O)(N[C@H]1CCCOc2ccc(F)cc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000738342196 598267461 /nfs/dbraw/zinc/26/74/61/598267461.db2.gz HOHGCLZUBCCLJY-ZDUSSCGKSA-N -1 1 390.400 1.593 20 0 GDADMM O=S(=O)(N[C@H]1CCCOc2ccc(F)cc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000738342196 598267462 /nfs/dbraw/zinc/26/74/62/598267462.db2.gz HOHGCLZUBCCLJY-ZDUSSCGKSA-N -1 1 390.400 1.593 20 0 GDADMM CCOC(=O)[C@@H](C)OC(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1 ZINC000736584454 598288215 /nfs/dbraw/zinc/28/82/15/598288215.db2.gz HBDUKKHUQJWNHA-MRVPVSSYSA-N -1 1 377.426 1.969 20 0 GDADMM CCOC(=O)[C@@H](C)OC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000736584454 598288216 /nfs/dbraw/zinc/28/82/16/598288216.db2.gz HBDUKKHUQJWNHA-MRVPVSSYSA-N -1 1 377.426 1.969 20 0 GDADMM c1cnc(-c2nnn[n-]2)c(NCC2(c3ccc4c(c3)OCO4)CCOCC2)n1 ZINC000738445972 598348920 /nfs/dbraw/zinc/34/89/20/598348920.db2.gz QHVJJVCEACOLSN-UHFFFAOYSA-N -1 1 381.396 1.546 20 0 GDADMM c1cnc(-c2nn[n-]n2)c(NCC2(c3ccc4c(c3)OCO4)CCOCC2)n1 ZINC000738445972 598348922 /nfs/dbraw/zinc/34/89/22/598348922.db2.gz QHVJJVCEACOLSN-UHFFFAOYSA-N -1 1 381.396 1.546 20 0 GDADMM CCc1nn(CC(=O)NCc2ccccc2F)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705027 598378784 /nfs/dbraw/zinc/37/87/84/598378784.db2.gz BVUZRRFUVQKCDH-UHFFFAOYSA-N -1 1 385.403 1.004 20 0 GDADMM CCNC(=O)CNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736576244 598393519 /nfs/dbraw/zinc/39/35/19/598393519.db2.gz NCDJYNNWSPWMQS-UHFFFAOYSA-N -1 1 384.371 1.664 20 0 GDADMM CCNC(=O)CNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736576244 598393521 /nfs/dbraw/zinc/39/35/21/598393521.db2.gz NCDJYNNWSPWMQS-UHFFFAOYSA-N -1 1 384.371 1.664 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCc1nnc(C(C)C)o1 ZINC000737198640 598408973 /nfs/dbraw/zinc/40/89/73/598408973.db2.gz BTDOSOXHRSVPRZ-UHFFFAOYSA-N -1 1 387.400 1.767 20 0 GDADMM CCn1ccnc1CN1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000736723340 598544635 /nfs/dbraw/zinc/54/46/35/598544635.db2.gz WTGMVFBHTLHRSB-UHFFFAOYSA-N -1 1 379.881 1.515 20 0 GDADMM CCn1ccnc1CN1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000736723340 598544636 /nfs/dbraw/zinc/54/46/36/598544636.db2.gz WTGMVFBHTLHRSB-UHFFFAOYSA-N -1 1 379.881 1.515 20 0 GDADMM CO[C@H]1CCCN(C(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)C1 ZINC000736960811 598551237 /nfs/dbraw/zinc/55/12/37/598551237.db2.gz HPLIXEXWDWRVKV-ZDUSSCGKSA-N -1 1 384.444 1.096 20 0 GDADMM CO[C@H]1CCCN(C(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)C1 ZINC000736960811 598551238 /nfs/dbraw/zinc/55/12/38/598551238.db2.gz HPLIXEXWDWRVKV-ZDUSSCGKSA-N -1 1 384.444 1.096 20 0 GDADMM COc1cccc(C2=NC(=Cc3cnc4c(-c5nnn[n-]5)cnn4c3)C(=O)O2)c1 ZINC000737126358 598566719 /nfs/dbraw/zinc/56/67/19/598566719.db2.gz GJJUZAZSJYQIKA-RZNTYIFUSA-N -1 1 388.347 1.263 20 0 GDADMM COc1cccc(C2=NC(=Cc3cnc4c(-c5nn[n-]n5)cnn4c3)C(=O)O2)c1 ZINC000737126358 598566721 /nfs/dbraw/zinc/56/67/21/598566721.db2.gz GJJUZAZSJYQIKA-RZNTYIFUSA-N -1 1 388.347 1.263 20 0 GDADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc(SC)c(OC)c2)c1 ZINC000736941757 598584812 /nfs/dbraw/zinc/58/48/12/598584812.db2.gz UGVQXSFRNMDTPC-UHFFFAOYSA-N -1 1 387.421 1.594 20 0 GDADMM Cn1c2ccc(S(=O)(=O)[N-]c3ccc(F)c(-c4nn[nH]n4)c3)cc2oc1=O ZINC000737588953 598594194 /nfs/dbraw/zinc/59/41/94/598594194.db2.gz LLTZIRZEKRVWRE-UHFFFAOYSA-N -1 1 390.356 1.252 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCC2(CC2)CC1 ZINC000737487852 598613030 /nfs/dbraw/zinc/61/30/30/598613030.db2.gz OBGMQLBDNWQGHR-UHFFFAOYSA-N -1 1 380.456 1.861 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCC2(CC2)CC1 ZINC000737487852 598613031 /nfs/dbraw/zinc/61/30/31/598613031.db2.gz OBGMQLBDNWQGHR-UHFFFAOYSA-N -1 1 380.456 1.861 20 0 GDADMM CCc1nn(CC(=O)Nc2ccccc2C(C)=O)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705078 598641337 /nfs/dbraw/zinc/64/13/37/598641337.db2.gz CGSAWXXMRJNGCU-UHFFFAOYSA-N -1 1 395.423 1.390 20 0 GDADMM CC[C@H]1CN(CC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)C[C@H](C)O1 ZINC000736407390 598706375 /nfs/dbraw/zinc/70/63/75/598706375.db2.gz GNGMQIFMQSUFHI-ZFWWWQNUSA-N -1 1 396.455 1.490 20 0 GDADMM CC[C@H]1CN(CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)C[C@H](C)O1 ZINC000736407390 598706376 /nfs/dbraw/zinc/70/63/76/598706376.db2.gz GNGMQIFMQSUFHI-ZFWWWQNUSA-N -1 1 396.455 1.490 20 0 GDADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)NCc1ccc(F)cc1 ZINC000737982173 598721674 /nfs/dbraw/zinc/72/16/74/598721674.db2.gz OUIWFCKXDGRYKE-UHFFFAOYSA-N -1 1 378.367 1.637 20 0 GDADMM Cc1nc(C)n(C[C@H]2CN(c3cc(-c4nnn[n-]4)nc4ccccc43)CCO2)n1 ZINC000737473616 599324398 /nfs/dbraw/zinc/32/43/98/599324398.db2.gz DYJHHKNXRDDBLT-CQSZACIVSA-N -1 1 391.439 1.529 20 0 GDADMM Cc1nc(C)n(C[C@H]2CN(c3cc(-c4nn[n-]n4)nc4ccccc43)CCO2)n1 ZINC000737473616 599324401 /nfs/dbraw/zinc/32/44/01/599324401.db2.gz DYJHHKNXRDDBLT-CQSZACIVSA-N -1 1 391.439 1.529 20 0 GDADMM COC(=O)CC1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000821658816 599340086 /nfs/dbraw/zinc/34/00/86/599340086.db2.gz JKEGZTIHMXKQGG-UHFFFAOYSA-N -1 1 399.860 1.484 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(Nc2cccc(NC3CCCC3)c2)n(C)c1=O ZINC000737595754 599350272 /nfs/dbraw/zinc/35/02/72/599350272.db2.gz KZTLUEVXEKFCDL-UHFFFAOYSA-N -1 1 382.428 1.362 20 0 GDADMM COc1ccccc1[C@]1(C)C[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821882820 599350327 /nfs/dbraw/zinc/35/03/27/599350327.db2.gz LMIMZBUHKCWPOZ-WBVHZDCISA-N -1 1 386.437 1.279 20 0 GDADMM COc1ccccc1[C@]1(C)C[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821882820 599350329 /nfs/dbraw/zinc/35/03/29/599350329.db2.gz LMIMZBUHKCWPOZ-WBVHZDCISA-N -1 1 386.437 1.279 20 0 GDADMM C[C@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)Oc1ccccc1Cl ZINC000820276598 599362441 /nfs/dbraw/zinc/36/24/41/599362441.db2.gz XWGAOCFBSRZCLL-SNVBAGLBSA-N -1 1 394.844 1.661 20 0 GDADMM C[C@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)Oc1ccccc1Cl ZINC000820276598 599362445 /nfs/dbraw/zinc/36/24/45/599362445.db2.gz XWGAOCFBSRZCLL-SNVBAGLBSA-N -1 1 394.844 1.661 20 0 GDADMM C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c2ccccc2NC1=O ZINC000820769513 599371438 /nfs/dbraw/zinc/37/14/38/599371438.db2.gz UZMBILUYLARWCQ-SNVBAGLBSA-N -1 1 385.409 1.045 20 0 GDADMM C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c2ccccc2NC1=O ZINC000820769513 599371441 /nfs/dbraw/zinc/37/14/41/599371441.db2.gz UZMBILUYLARWCQ-SNVBAGLBSA-N -1 1 385.409 1.045 20 0 GDADMM Cn1cccc1C(=O)N1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000822689562 599481564 /nfs/dbraw/zinc/48/15/64/599481564.db2.gz MPDIPWCCZQVPRV-UHFFFAOYSA-N -1 1 388.435 1.716 20 0 GDADMM Cn1cccc1C(=O)N1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000822689562 599481566 /nfs/dbraw/zinc/48/15/66/599481566.db2.gz MPDIPWCCZQVPRV-UHFFFAOYSA-N -1 1 388.435 1.716 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCc1cc(=O)c(O)co1 ZINC000737547175 599497238 /nfs/dbraw/zinc/49/72/38/599497238.db2.gz HSMUXSFEDZWLPB-UHFFFAOYSA-N -1 1 383.320 1.575 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCc1cc(=O)c(O)co1 ZINC000737547175 599497241 /nfs/dbraw/zinc/49/72/41/599497241.db2.gz HSMUXSFEDZWLPB-UHFFFAOYSA-N -1 1 383.320 1.575 20 0 GDADMM Cc1ccc(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)c2n[nH]cc21 ZINC000737360489 599504639 /nfs/dbraw/zinc/50/46/39/599504639.db2.gz PAAJHALARANYRY-UHFFFAOYSA-N -1 1 381.404 1.111 20 0 GDADMM Cc1ccc(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)c2n[nH]cc21 ZINC000737360489 599504643 /nfs/dbraw/zinc/50/46/43/599504643.db2.gz PAAJHALARANYRY-UHFFFAOYSA-N -1 1 381.404 1.111 20 0 GDADMM O=C(c1cccc(O)c1)N1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000823493165 599517075 /nfs/dbraw/zinc/51/70/75/599517075.db2.gz GQKPKFMNIIUYEI-UHFFFAOYSA-N -1 1 391.844 1.645 20 0 GDADMM O=C(c1cccc(O)c1)N1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000823493165 599517078 /nfs/dbraw/zinc/51/70/78/599517078.db2.gz GQKPKFMNIIUYEI-UHFFFAOYSA-N -1 1 391.844 1.645 20 0 GDADMM CCc1nsc(N2CCCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)n1 ZINC000821559042 599550915 /nfs/dbraw/zinc/55/09/15/599550915.db2.gz QHYNARPOODGNRL-UHFFFAOYSA-N -1 1 385.457 1.028 20 0 GDADMM CCc1nsc(N2CCCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)n1 ZINC000821559042 599550917 /nfs/dbraw/zinc/55/09/17/599550917.db2.gz QHYNARPOODGNRL-UHFFFAOYSA-N -1 1 385.457 1.028 20 0 GDADMM CCCOC(=O)[C@@H](C)OC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821128199 599650901 /nfs/dbraw/zinc/65/09/01/599650901.db2.gz RNPPWGHSUADTAU-LLVKDONJSA-N -1 1 377.401 1.402 20 0 GDADMM Cc1cc(NC(=O)COC(=O)c2sccc2-c2nn[n-]n2)n(C(C)(C)C)n1 ZINC000822208216 599659025 /nfs/dbraw/zinc/65/90/25/599659025.db2.gz HDKCCTRROFARSS-UHFFFAOYSA-N -1 1 389.441 1.984 20 0 GDADMM CCN(CC(=O)NCc1cccs1)C(=O)CN1CCCC[C@@H]1CC(=O)[O-] ZINC000650504268 599755097 /nfs/dbraw/zinc/75/50/97/599755097.db2.gz FVLFHXWNPJTLIM-CQSZACIVSA-N -1 1 381.498 1.542 20 0 GDADMM COC(=O)[C@@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)c1cc(F)ccc1F ZINC000737575081 599761211 /nfs/dbraw/zinc/76/12/11/599761211.db2.gz BBGGGVXWMNCJAN-AWEZNQCLSA-N -1 1 385.344 1.856 20 0 GDADMM COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NC[C@H](C)C(=O)[O-])c1 ZINC000485931761 599779751 /nfs/dbraw/zinc/77/97/51/599779751.db2.gz XRDQHXGSVIKAQG-LBPRGKRZSA-N -1 1 392.433 1.947 20 0 GDADMM C[C@H](C(=O)NCC(=O)[O-])N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000736207960 599851493 /nfs/dbraw/zinc/85/14/93/599851493.db2.gz LICOODKXZHYEQB-DGCLKSJQSA-N -1 1 376.388 1.644 20 0 GDADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000428039482 599862273 /nfs/dbraw/zinc/86/22/73/599862273.db2.gz FHOWXJXFTGDJHD-BLLLJJGKSA-N -1 1 380.404 1.493 20 0 GDADMM C[C@@H]1CN(CCCNC(=O)C(=O)Nc2ccc(CCC(=O)[O-])cc2)C[C@@H](C)O1 ZINC000736811075 599876851 /nfs/dbraw/zinc/87/68/51/599876851.db2.gz QMNRGEBIOGYEFI-HUUCEWRRSA-N -1 1 391.468 1.258 20 0 GDADMM CN(C)C(=O)Nc1ccc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)c(Cl)c1 ZINC000821577943 607404137 /nfs/dbraw/zinc/40/41/37/607404137.db2.gz FPFOBKWAFQIGRX-UHFFFAOYSA-N -1 1 389.807 1.599 20 0 GDADMM CN(C)C(=O)Nc1ccc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)c(Cl)c1 ZINC000821577943 607404139 /nfs/dbraw/zinc/40/41/39/607404139.db2.gz FPFOBKWAFQIGRX-UHFFFAOYSA-N -1 1 389.807 1.599 20 0 GDADMM C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820659507 607405235 /nfs/dbraw/zinc/40/52/35/607405235.db2.gz YNIURYISZLWUTJ-YPMHNXCESA-N -1 1 387.444 1.780 20 0 GDADMM C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820659507 607405237 /nfs/dbraw/zinc/40/52/37/607405237.db2.gz 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/nfs/dbraw/zinc/54/68/35/607546835.db2.gz VESSISJVKFKYPB-UHFFFAOYSA-N -1 1 387.469 1.903 20 0 GDADMM CN1CCC[C@H]1[C@@H]1CCCN1C(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1 ZINC000830940968 602214362 /nfs/dbraw/zinc/21/43/62/602214362.db2.gz OIFRQUCRTMCWQU-HOTGVXAUSA-N -1 1 395.481 1.879 20 0 GDADMM O=C([O-])NCC(=O)Nc1ccccc1N1CCN(CCc2ccncc2)CC1 ZINC000739937122 602256417 /nfs/dbraw/zinc/25/64/17/602256417.db2.gz ULCPLIGHHIZTPR-UHFFFAOYSA-N -1 1 383.452 1.652 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@H](O)c1ccncc1 ZINC000826340659 607561853 /nfs/dbraw/zinc/56/18/53/607561853.db2.gz GSMVCIHHHVWXOU-ZDUSSCGKSA-N -1 1 379.380 1.417 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@H](O)c1ccncc1 ZINC000826340659 607561855 /nfs/dbraw/zinc/56/18/55/607561855.db2.gz GSMVCIHHHVWXOU-ZDUSSCGKSA-N -1 1 379.380 1.417 20 0 GDADMM C[C@H](C(=O)NC(=O)NCc1ccccc1)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000738620705 602384481 /nfs/dbraw/zinc/38/44/81/602384481.db2.gz XAUIEHFMUUODTA-CQSZACIVSA-N -1 1 376.457 1.723 20 0 GDADMM CCOC(=O)C1CCN(C(=O)[C@@H](C)N2CCC(CN(C)C(=O)[O-])CC2)CC1 ZINC000739468140 602385272 /nfs/dbraw/zinc/38/52/72/602385272.db2.gz CUMGCBDLHIIZEW-CQSZACIVSA-N -1 1 383.489 1.498 20 0 GDADMM CN(C[C@H]1CCCN(CC(=O)NCCOc2ccc3c(c2)OCO3)C1)C(=O)[O-] ZINC000739636283 602399085 /nfs/dbraw/zinc/39/90/85/602399085.db2.gz IWPYAVFPFBEUEF-CQSZACIVSA-N -1 1 393.440 1.232 20 0 GDADMM C[C@@H]1CN(Cc2ccc(CNC(=O)NCCN(C)C(=O)[O-])cc2)C[C@H](C)O1 ZINC000739185898 602439486 /nfs/dbraw/zinc/43/94/86/602439486.db2.gz QZINWGNRXNXUGC-GASCZTMLSA-N -1 1 378.473 1.705 20 0 GDADMM C[C@H](NC(=O)[O-])C1CCN([C@@H](C)C(=O)NC[C@H]2COc3ccccc3O2)CC1 ZINC000739014005 602445069 /nfs/dbraw/zinc/44/50/69/602445069.db2.gz CLTMTMGLXHRNFW-DZKIICNBSA-N -1 1 391.468 1.699 20 0 GDADMM C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738600477 602529513 /nfs/dbraw/zinc/52/95/13/602529513.db2.gz JNGXPQSDWQLYKW-PMPSAXMXSA-N -1 1 391.468 1.605 20 0 GDADMM Cc1cccc(CN2CCN(C(=O)CN3CC[C@@H](CN(C)C(=O)[O-])C3)CC2)c1 ZINC000740172293 602529916 /nfs/dbraw/zinc/52/99/16/602529916.db2.gz YTRRGNOFPBTNIW-IBGZPJMESA-N -1 1 388.512 1.571 20 0 GDADMM C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737560149 602533472 /nfs/dbraw/zinc/53/34/72/602533472.db2.gz FRIXAWQVUQRJEH-HNNXBMFYSA-N -1 1 375.473 1.193 20 0 GDADMM CCN(C[C@H]1COc2ccccc2O1)C(=O)CN1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739415299 602537105 /nfs/dbraw/zinc/53/71/05/602537105.db2.gz OOXUNRCCRNWBIN-CVEARBPZSA-N -1 1 391.468 1.607 20 0 GDADMM COCCN1CC[C@@H](NC(=O)C2(c3ccccc3)CCN(C(=O)[O-])CC2)C1 ZINC000739828399 602575106 /nfs/dbraw/zinc/57/51/06/602575106.db2.gz HTVCUKSMBWAXRS-QGZVFWFLSA-N -1 1 375.469 1.535 20 0 GDADMM Cc1cccc(N2CCN(CCCNC(=O)N[C@H]3CCN(C(=O)[O-])C3)CC2)c1 ZINC000740171670 602586110 /nfs/dbraw/zinc/58/61/10/602586110.db2.gz WTAYXDMTIPPHFJ-KRWDZBQOSA-N -1 1 389.500 1.559 20 0 GDADMM CC(C)c1ccc([C@H](CNC(=O)NC[C@H]2CN(C)CCN2C)NC(=O)[O-])cc1 ZINC000738883435 602587544 /nfs/dbraw/zinc/58/75/44/602587544.db2.gz PXTUKSFTQFXSBL-ROUUACIJSA-N -1 1 391.516 1.664 20 0 GDADMM Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNC[C@@H]1CCCN1C(=O)[O-] ZINC000740254940 602594395 /nfs/dbraw/zinc/59/43/95/602594395.db2.gz UIBXXOKHWCDPKX-RYUDHWBXSA-N -1 1 390.893 1.437 20 0 GDADMM O=C([O-])N1CCC[C@H]1CNC(=O)NCCN1CCN(Cc2ccccc2)CC1 ZINC000740438196 602598005 /nfs/dbraw/zinc/59/80/05/602598005.db2.gz BFYSRNQKJDOAPH-SFHVURJKSA-N -1 1 389.500 1.246 20 0 GDADMM COc1ccnc(N2CCN(C(=O)NCCCN(C(=O)[O-])C3CC3)CC2)c1 ZINC000739983269 602619223 /nfs/dbraw/zinc/61/92/23/602619223.db2.gz GMMBALXAARNVPE-UHFFFAOYSA-N -1 1 377.445 1.454 20 0 GDADMM COc1ccccc1[C@@H](CNC(=O)N1CCN2CCCC[C@@H]2C1)NC(=O)[O-] ZINC000739965395 602621245 /nfs/dbraw/zinc/62/12/45/602621245.db2.gz XRLRMJDOCPQYBN-GDBMZVCRSA-N -1 1 376.457 1.884 20 0 GDADMM CC(C)[N@H+]1CCCN(C(=O)C(=O)Nc2ccc3c(c2)CN(C(=O)[O-])CC3)CC1 ZINC000738855332 602642668 /nfs/dbraw/zinc/64/26/68/602642668.db2.gz UUOORNRFJDZQAA-UHFFFAOYSA-N -1 1 388.468 1.604 20 0 GDADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)NCC[C@H]1CCCN(C(=O)[O-])C1 ZINC000739025961 602653646 /nfs/dbraw/zinc/65/36/46/602653646.db2.gz MPSHIOLJWUPDAH-QWHCGFSZSA-N -1 1 387.440 1.578 20 0 GDADMM O=C([O-])N[C@H](CCC(=O)N1CCN([C@H]2CCC[C@H]2O)CC1)c1ccccc1 ZINC000740535871 602683841 /nfs/dbraw/zinc/68/38/41/602683841.db2.gz GEGHURGLVYAWTE-FGTMMUONSA-N -1 1 375.469 1.833 20 0 GDADMM COc1cccc([C@H](CNC(=O)NCC[C@H]2CCN(C(=O)[O-])C2)N(C)C)c1 ZINC000739946634 602692587 /nfs/dbraw/zinc/69/25/87/602692587.db2.gz VZTHDPNWXBSTHI-YOEHRIQHSA-N -1 1 378.473 1.987 20 0 GDADMM C[C@H](CN1CCN(C)CC1)NC(=O)c1cccn1C1CCN(C(=O)[O-])CC1 ZINC000738911635 602700255 /nfs/dbraw/zinc/70/02/55/602700255.db2.gz MVVKYUCLMIQZTA-OAHLLOKOSA-N -1 1 377.489 1.169 20 0 GDADMM C[C@@H](NC(=O)[O-])[C@H]1CCCCN1C(=O)c1ccnc(N2CCN(C)CC2)c1 ZINC000739011128 602710435 /nfs/dbraw/zinc/71/04/35/602710435.db2.gz OYXPTVRIVXHJAM-GDBMZVCRSA-N -1 1 375.473 1.484 20 0 GDADMM Cc1nc(CCNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cs1 ZINC000826325976 607582112 /nfs/dbraw/zinc/58/21/12/607582112.db2.gz TWRUCQLBWGCEEF-UHFFFAOYSA-N -1 1 384.874 1.806 20 0 GDADMM Cc1nc(CCNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cs1 ZINC000826325976 607582114 /nfs/dbraw/zinc/58/21/14/607582114.db2.gz TWRUCQLBWGCEEF-UHFFFAOYSA-N -1 1 384.874 1.806 20 0 GDADMM Cc1ccc(C(N)=O)c(OS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000826283895 607582423 /nfs/dbraw/zinc/58/24/23/607582423.db2.gz DPMGWEWAGPMVQF-UHFFFAOYSA-N -1 1 393.812 1.695 20 0 GDADMM O=S(=O)(NCc1cnn(-c2ccccc2)c1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826492164 607582614 /nfs/dbraw/zinc/58/26/14/607582614.db2.gz WFKYBIHXNLBJCS-UHFFFAOYSA-N -1 1 399.411 1.670 20 0 GDADMM O=S(=O)(NCc1cnn(-c2ccccc2)c1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826492164 607582616 /nfs/dbraw/zinc/58/26/16/607582616.db2.gz WFKYBIHXNLBJCS-UHFFFAOYSA-N -1 1 399.411 1.670 20 0 GDADMM C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739171377 602774882 /nfs/dbraw/zinc/77/48/82/602774882.db2.gz BWEQBJTXFQKAJE-BZUAXINKSA-N -1 1 390.484 1.407 20 0 GDADMM O=S(=O)(NCCCOCC(F)(F)F)c1cccc(F)c1-c1nnn[n-]1 ZINC000826490902 607586561 /nfs/dbraw/zinc/58/65/61/607586561.db2.gz LQPOUDQOXXAANR-UHFFFAOYSA-N -1 1 383.327 1.253 20 0 GDADMM O=S(=O)(NCCCOCC(F)(F)F)c1cccc(F)c1-c1nn[n-]n1 ZINC000826490902 607586563 /nfs/dbraw/zinc/58/65/63/607586563.db2.gz LQPOUDQOXXAANR-UHFFFAOYSA-N -1 1 383.327 1.253 20 0 GDADMM CNC(=O)c1ccc(OS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826067087 607587737 /nfs/dbraw/zinc/58/77/37/607587737.db2.gz AKWGQMILBWVCJF-UHFFFAOYSA-N -1 1 377.357 1.133 20 0 GDADMM CNC(=O)c1ccc(OS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826067087 607587738 /nfs/dbraw/zinc/58/77/38/607587738.db2.gz AKWGQMILBWVCJF-UHFFFAOYSA-N -1 1 377.357 1.133 20 0 GDADMM CCN(CC(=O)OCC(=O)N1CCCN(Cc2ccc(C)cc2)CC1)C(=O)[O-] ZINC000739400006 602816350 /nfs/dbraw/zinc/81/63/50/602816350.db2.gz PQUZYGLEGXBMQU-UHFFFAOYSA-N -1 1 391.468 1.572 20 0 GDADMM O=C([O-])N1CCc2ccc(NC(=O)N3CCN([C@H]4CCC[C@@H]4O)CC3)cc2C1 ZINC000740529299 602826798 /nfs/dbraw/zinc/82/67/98/602826798.db2.gz FLGRPMQSQIXJNP-ROUUACIJSA-N -1 1 388.468 1.786 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000826496242 607589325 /nfs/dbraw/zinc/58/93/25/607589325.db2.gz PJSLXJXKCRTVSO-SNVBAGLBSA-N -1 1 377.405 1.297 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000826496242 607589327 /nfs/dbraw/zinc/58/93/27/607589327.db2.gz PJSLXJXKCRTVSO-SNVBAGLBSA-N -1 1 377.405 1.297 20 0 GDADMM C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccc(NC(=O)[O-])cc2[O-])CC1 ZINC000739726266 602862546 /nfs/dbraw/zinc/86/25/46/602862546.db2.gz JRGVSXWAXCODGF-OAHLLOKOSA-N -1 1 376.457 1.724 20 0 GDADMM C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccc(NC(=O)[O-])cc2[O-])CC1 ZINC000739726266 602862549 /nfs/dbraw/zinc/86/25/49/602862549.db2.gz JRGVSXWAXCODGF-OAHLLOKOSA-N -1 1 376.457 1.724 20 0 GDADMM C[C@@H]1CN(C(=O)NC2CCN(Cc3ccncc3)CC2)C[C@H](C)N1C(=O)[O-] ZINC000739137711 602888483 /nfs/dbraw/zinc/88/84/83/602888483.db2.gz UEBGWJMDDLMOAK-GASCZTMLSA-N -1 1 375.473 1.828 20 0 GDADMM C[C@@H](NC(=O)[O-])C(=O)OCC(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000738994058 602925497 /nfs/dbraw/zinc/92/54/97/602925497.db2.gz IDVVSGVCPBIUGQ-GFCCVEGCSA-N -1 1 381.454 1.373 20 0 GDADMM COc1ccc(COC[C@H](O)CN2C[C@H](C)N(C(=O)[O-])[C@@H](C)C2)cc1OC ZINC000739904122 602939385 /nfs/dbraw/zinc/93/93/85/602939385.db2.gz UJHCVKNNCDNEAE-OFQRWUPVSA-N -1 1 382.457 1.654 20 0 GDADMM C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826232219 607596561 /nfs/dbraw/zinc/59/65/61/607596561.db2.gz DUELCZNURQUKFE-JTQLQIEISA-N -1 1 386.799 1.777 20 0 GDADMM C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826232219 607596562 /nfs/dbraw/zinc/59/65/62/607596562.db2.gz DUELCZNURQUKFE-JTQLQIEISA-N -1 1 386.799 1.777 20 0 GDADMM CN1CCN(c2cc(C(=O)NC[C@H](NC(=O)[O-])c3ccccc3)ccn2)CC1 ZINC000739735937 603023074 /nfs/dbraw/zinc/02/30/74/603023074.db2.gz HCEJUUVRZUCUKD-KRWDZBQOSA-N -1 1 383.452 1.572 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cccnc1OCC(F)(F)F ZINC000826467449 607601707 /nfs/dbraw/zinc/60/17/07/607601707.db2.gz WPNCJYCZDVKUIC-UHFFFAOYSA-N -1 1 380.286 1.955 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cccnc1OCC(F)(F)F ZINC000826467449 607601709 /nfs/dbraw/zinc/60/17/09/607601709.db2.gz WPNCJYCZDVKUIC-UHFFFAOYSA-N -1 1 380.286 1.955 20 0 GDADMM COC(=O)[C@H]([N-]S(=O)(=O)c1cccc(C)c1-c1nn[nH]n1)c1ccccc1 ZINC000826111457 607602186 /nfs/dbraw/zinc/60/21/86/607602186.db2.gz FPQVCHSGBWMAMS-OAHLLOKOSA-N -1 1 387.421 1.368 20 0 GDADMM C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)C(=O)N1CCCC[C@@H]1C ZINC000824641563 607604290 /nfs/dbraw/zinc/60/42/90/607604290.db2.gz WXJWDLDCUSOQRM-QWRGUYRKSA-N -1 1 396.448 1.074 20 0 GDADMM C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)C(=O)N1CCCC[C@@H]1C ZINC000824641563 607604291 /nfs/dbraw/zinc/60/42/91/607604291.db2.gz WXJWDLDCUSOQRM-QWRGUYRKSA-N -1 1 396.448 1.074 20 0 GDADMM C[C@@H]1CN(Cc2ccc(CNC(=O)[C@@H]3C[C@H](O)CN3C(=O)[O-])cc2)C[C@H](C)O1 ZINC000739188389 603085621 /nfs/dbraw/zinc/08/56/21/603085621.db2.gz XZRVIUORQOXSGE-DACLVMHWSA-N -1 1 391.468 1.025 20 0 GDADMM COc1ccc(N(C)S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cn1 ZINC000826208967 607606449 /nfs/dbraw/zinc/60/64/49/607606449.db2.gz IBOBPUWYRMJGNI-UHFFFAOYSA-N -1 1 380.817 1.749 20 0 GDADMM COc1ccc(N(C)S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cn1 ZINC000826208967 607606451 /nfs/dbraw/zinc/60/64/51/607606451.db2.gz IBOBPUWYRMJGNI-UHFFFAOYSA-N -1 1 380.817 1.749 20 0 GDADMM Cc1nn(C)cc1[C@@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826334483 607607475 /nfs/dbraw/zinc/60/74/75/607607475.db2.gz WSGJQVXIVWULOZ-SECBINFHSA-N -1 1 381.849 1.602 20 0 GDADMM Cc1nn(C)cc1[C@@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826334483 607607476 /nfs/dbraw/zinc/60/74/76/607607476.db2.gz WSGJQVXIVWULOZ-SECBINFHSA-N -1 1 381.849 1.602 20 0 GDADMM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)NCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000740572220 603155448 /nfs/dbraw/zinc/15/54/48/603155448.db2.gz VVCBCNKUTRYDQC-RTBURBONSA-N -1 1 388.512 1.747 20 0 GDADMM O=S(=O)(N[C@H]1CCOc2ccc(F)cc21)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826488981 607612412 /nfs/dbraw/zinc/61/24/12/607612412.db2.gz DWXXVSJESBMGRX-ZDUSSCGKSA-N -1 1 393.375 1.947 20 0 GDADMM CN1CCN(C[C@H](NC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)c2ccccc2)CC1 ZINC000737526510 603265166 /nfs/dbraw/zinc/26/51/66/603265166.db2.gz RBJAHYYYCRBBKG-MSOLQXFVSA-N -1 1 389.500 1.417 20 0 GDADMM Cc1cccc(S(=O)(=O)Oc2ccc(-n3cncn3)cc2)c1-c1nn[n-]n1 ZINC000826304585 607620482 /nfs/dbraw/zinc/62/04/82/607620482.db2.gz QMEBPEZUFHRFGS-UHFFFAOYSA-N -1 1 383.393 1.524 20 0 GDADMM Cc1nc(CN2CCN(C(=O)c3ccc(NC(=O)[O-])cc3Cl)CC2)n[nH]1 ZINC000740220334 603317586 /nfs/dbraw/zinc/31/75/86/603317586.db2.gz WBHGEEPRQOLQHE-UHFFFAOYSA-N -1 1 378.820 1.814 20 0 GDADMM COc1ccc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1O ZINC000826203385 607625052 /nfs/dbraw/zinc/62/50/52/607625052.db2.gz LWJHCLGRBFUNGV-UHFFFAOYSA-N -1 1 379.373 1.199 20 0 GDADMM COc1ccc(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1O ZINC000826203385 607625053 /nfs/dbraw/zinc/62/50/53/607625053.db2.gz LWJHCLGRBFUNGV-UHFFFAOYSA-N -1 1 379.373 1.199 20 0 GDADMM CN1CCN(Cc2ccc(NC(=O)CN(C[C@H]3CCCO3)C(=O)[O-])cc2)CC1 ZINC000739737773 603394329 /nfs/dbraw/zinc/39/43/29/603394329.db2.gz RQCXZVWHPVKILO-GOSISDBHSA-N -1 1 390.484 1.532 20 0 GDADMM C[C@@](CO)(NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)c1ccccc1 ZINC000824434443 607629078 /nfs/dbraw/zinc/62/90/78/607629078.db2.gz KBSBGUOAQOZWIM-INIZCTEOSA-N -1 1 393.856 1.706 20 0 GDADMM COC(=O)[C@@]1(NC(=O)C[C@H](C)NC(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000828625111 603444876 /nfs/dbraw/zinc/44/48/76/603444876.db2.gz WAYIKNYVJWFTDG-IFXJQAMLSA-N -1 1 377.441 1.357 20 0 GDADMM COC(=O)[C@]1(NC(=O)C[C@@H](C)NC(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000828625113 603444883 /nfs/dbraw/zinc/44/48/83/603444883.db2.gz WAYIKNYVJWFTDG-KUHUBIRLSA-N -1 1 377.441 1.357 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCC[C@@H]([C@@H](C)O)C1 ZINC000826328187 607629908 /nfs/dbraw/zinc/62/99/08/607629908.db2.gz IHWSAPVNIJNSRD-ZIAGYGMSSA-N -1 1 398.471 1.078 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCC[C@@H]([C@@H](C)O)C1 ZINC000826328187 607629909 /nfs/dbraw/zinc/62/99/09/607629909.db2.gz IHWSAPVNIJNSRD-ZIAGYGMSSA-N -1 1 398.471 1.078 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)[O-])CC3)cn1C ZINC000828761255 603527588 /nfs/dbraw/zinc/52/75/88/603527588.db2.gz RFHMATCYUFJABW-UHFFFAOYSA-N -1 1 393.421 1.649 20 0 GDADMM CN(CC(=O)Nc1cccc(CN2CCSCC2)c1)[C@H]1CCN(C(=O)[O-])C1 ZINC000828114035 603531562 /nfs/dbraw/zinc/53/15/62/603531562.db2.gz ALDWBSSMDQBIKS-KRWDZBQOSA-N -1 1 392.525 1.858 20 0 GDADMM O=C([O-])NC[C@@H](NC(=O)NCC1(CN2CCOCC2)CCCCC1)C1CC1 ZINC000832427461 603611431 /nfs/dbraw/zinc/61/14/31/603611431.db2.gz HOHHJCPTVJJFLG-MRXNPFEDSA-N -1 1 382.505 1.615 20 0 GDADMM Cc1oc(NC(=O)CN2C[C@H](CO)Oc3ccccc32)c(-c2nn[n-]n2)c1C ZINC000826341725 607641961 /nfs/dbraw/zinc/64/19/61/607641961.db2.gz OUDAQGUKVGJKNL-GFCCVEGCSA-N -1 1 384.396 1.275 20 0 GDADMM C[C@@H]1CN(C(=O)NCCN2CCN(Cc3ccccc3)CC2)CCN1C(=O)[O-] ZINC000826001876 603704229 /nfs/dbraw/zinc/70/42/29/603704229.db2.gz OAXPKEIEZLIDLY-QGZVFWFLSA-N -1 1 389.500 1.198 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1)N(C)Cc1ccccc1 ZINC000823660857 603707950 /nfs/dbraw/zinc/70/79/50/603707950.db2.gz DTCDZCVZYCXLRC-DOTOQJQBSA-N -1 1 390.484 1.129 20 0 GDADMM CN(C[C@H]1CCN(C(=O)CCN2CCN(c3ccccn3)CC2)C1)C(=O)[O-] ZINC000828245227 603753693 /nfs/dbraw/zinc/75/36/93/603753693.db2.gz FOPVZEWKRZHURT-MRXNPFEDSA-N -1 1 375.473 1.052 20 0 GDADMM COc1ccnc(N2CCN(C(=O)[C@@H]3[C@@H](C)OC(C)(C)N3C(=O)[O-])CC2)c1 ZINC000829650572 603758039 /nfs/dbraw/zinc/75/80/39/603758039.db2.gz SLHNDSBPFKWWES-DOMZBBRYSA-N -1 1 378.429 1.242 20 0 GDADMM CC[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1c(C)nn(C)c1C ZINC000825148863 607654529 /nfs/dbraw/zinc/65/45/29/607654529.db2.gz UTIAQLBNEATVHU-CYBMUJFWSA-N -1 1 393.448 1.786 20 0 GDADMM O=C([O-])N1CC[C@](F)(C(=O)NCCCN2CCN(c3ccccc3)CC2)C1 ZINC000831901920 603840906 /nfs/dbraw/zinc/84/09/06/603840906.db2.gz LOGXJAXNOIXHNO-LJQANCHMSA-N -1 1 378.448 1.407 20 0 GDADMM O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)CCN1CCN(c2ccccn2)CC1 ZINC000832457769 603846118 /nfs/dbraw/zinc/84/61/18/603846118.db2.gz KZZDANZLENVJRK-JKSUJKDBSA-N -1 1 375.473 1.146 20 0 GDADMM CC(C)[C@H](CCN(C)[C@@H](C)C(=O)N1CCN(c2ccccn2)CC1)NC(=O)[O-] ZINC000824100608 603853517 /nfs/dbraw/zinc/85/35/17/603853517.db2.gz XBQILMPKLRHKRN-IRXDYDNUSA-N -1 1 391.516 1.733 20 0 GDADMM CN1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c2ccc(F)cc21 ZINC000826038142 607656462 /nfs/dbraw/zinc/65/64/62/607656462.db2.gz IQEKKKGNQOGEQD-UHFFFAOYSA-N -1 1 392.391 1.790 20 0 GDADMM CN1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c2ccc(F)cc21 ZINC000826038142 607656463 /nfs/dbraw/zinc/65/64/63/607656463.db2.gz IQEKKKGNQOGEQD-UHFFFAOYSA-N -1 1 392.391 1.790 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)Nc2cc3c(cc2NC(=O)[O-])OCO3)c[nH]1 ZINC000828761401 603887693 /nfs/dbraw/zinc/88/76/93/603887693.db2.gz SMWCEFMPUJKKIK-UHFFFAOYSA-N -1 1 383.338 1.421 20 0 GDADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)[C@@H]3CC(=O)N(C4CC4)C3)cc2)n1 ZINC000832729651 603913480 /nfs/dbraw/zinc/91/34/80/603913480.db2.gz HLFAMYPXGALDBD-LLVKDONJSA-N -1 1 384.396 1.189 20 0 GDADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)[C@@H]3CC(=O)N(C4CC4)C3)cc2)n[nH]1 ZINC000832729651 603913483 /nfs/dbraw/zinc/91/34/83/603913483.db2.gz HLFAMYPXGALDBD-LLVKDONJSA-N -1 1 384.396 1.189 20 0 GDADMM CCn1ncc2c1CCC[C@H]2NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825806830 607660447 /nfs/dbraw/zinc/66/04/47/607660447.db2.gz GXAPTZHQTZNABE-CYBMUJFWSA-N -1 1 391.432 1.578 20 0 GDADMM CC(C)[C@@](C)(CNC(=O)[O-])NC(=O)[C@@H](C)NC(=O)c1n[nH]c2ccccc21 ZINC000825460077 603940270 /nfs/dbraw/zinc/94/02/70/603940270.db2.gz WPIGDIPRRDQNGF-ADLMAVQZSA-N -1 1 375.429 1.480 20 0 GDADMM CC1(C)CN(C(=O)[O-])CCN1C(=O)CCN1CCN(c2ccccn2)CC1 ZINC000825725273 603948564 /nfs/dbraw/zinc/94/85/64/603948564.db2.gz YZSOXEYGQKIWOQ-UHFFFAOYSA-N -1 1 375.473 1.195 20 0 GDADMM Cc1ccc(CN2CCCN(C(=O)COC(=O)C[C@@H](C)NC(=O)[O-])CC2)cc1 ZINC000830308366 603968456 /nfs/dbraw/zinc/96/84/56/603968456.db2.gz IGFQJSZVPBDVKW-MRXNPFEDSA-N -1 1 391.468 1.619 20 0 GDADMM CC(C)(C)c1n[nH]c([C@@H]2CN(C(=O)N[C@@H](CNC(=O)[O-])C3CC3)CCO2)n1 ZINC000823865798 604002525 /nfs/dbraw/zinc/00/25/25/604002525.db2.gz XUTDSPRLLWUUCX-RYUDHWBXSA-N -1 1 380.449 1.231 20 0 GDADMM CC(C)(C)c1nnc([C@@H]2CN(C(=O)N[C@@H](CNC(=O)[O-])C3CC3)CCO2)[nH]1 ZINC000823865798 604002532 /nfs/dbraw/zinc/00/25/32/604002532.db2.gz XUTDSPRLLWUUCX-RYUDHWBXSA-N -1 1 380.449 1.231 20 0 GDADMM C[C@H]1CN(C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)CC[C@H]1NC(=O)[O-] ZINC000825987790 604004334 /nfs/dbraw/zinc/00/43/34/604004334.db2.gz FZIDDRMMFXPNEX-CMPLNLGQSA-N -1 1 376.438 1.190 20 0 GDADMM O=S(=O)(NC[C@@H]1CSCCS1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826490989 607666337 /nfs/dbraw/zinc/66/63/37/607666337.db2.gz PNJSELYOTOLNOW-MRVPVSSYSA-N -1 1 375.476 1.133 20 0 GDADMM O=S(=O)(NC[C@@H]1CSCCS1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826490989 607666339 /nfs/dbraw/zinc/66/63/39/607666339.db2.gz PNJSELYOTOLNOW-MRVPVSSYSA-N -1 1 375.476 1.133 20 0 GDADMM CN(C(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1)C1CCN(C(=O)[O-])CC1 ZINC000827807077 604040620 /nfs/dbraw/zinc/04/06/20/604040620.db2.gz SNQYBOWNJIATSR-UHFFFAOYSA-N -1 1 376.392 1.895 20 0 GDADMM CN(C(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1)C1CCN(C(=O)[O-])CC1 ZINC000827807077 604040627 /nfs/dbraw/zinc/04/06/27/604040627.db2.gz SNQYBOWNJIATSR-UHFFFAOYSA-N -1 1 376.392 1.895 20 0 GDADMM CC(C)(C)c1nnc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)s1 ZINC000824141516 607670126 /nfs/dbraw/zinc/67/01/26/607670126.db2.gz JFBSGWRKHVEYHO-UHFFFAOYSA-N -1 1 397.461 1.633 20 0 GDADMM C[C@H](C[C@H](O)c1ccccc1)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824394595 607670141 /nfs/dbraw/zinc/67/01/41/607670141.db2.gz YGLUPVGLMPTYEF-ABAIWWIYSA-N -1 1 391.428 1.796 20 0 GDADMM CN(Cc1ccccc1NC(=O)N1CCN(C[C@H]2CCOC2)CC1)C(=O)[O-] ZINC000828399736 604143531 /nfs/dbraw/zinc/14/35/31/604143531.db2.gz FLMYKIZUWOEHED-OAHLLOKOSA-N -1 1 376.457 1.982 20 0 GDADMM C[C@H](Cc1ccc(O)cc1)N(C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824458318 607674534 /nfs/dbraw/zinc/67/45/34/607674534.db2.gz VLPLKVFCNYWCAR-LLVKDONJSA-N -1 1 391.428 1.963 20 0 GDADMM C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)c2ccc(CN3CCN(C)CC3)cc2)C1 ZINC000825244824 604158718 /nfs/dbraw/zinc/15/87/18/604158718.db2.gz LFMUPCZYIKMXEI-LPHOPBHVSA-N -1 1 388.512 1.942 20 0 GDADMM COC(=O)C1(N(C)S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCCC1 ZINC000826124841 607676620 /nfs/dbraw/zinc/67/66/20/607676620.db2.gz XDCHWQKQXKTXSE-UHFFFAOYSA-N -1 1 399.860 1.626 20 0 GDADMM COC(=O)C1(N(C)S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCCC1 ZINC000826124841 607676622 /nfs/dbraw/zinc/67/66/22/607676622.db2.gz XDCHWQKQXKTXSE-UHFFFAOYSA-N -1 1 399.860 1.626 20 0 GDADMM O=S(=O)(N[C@@H]1CCO[C@]2(CCSC2)C1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826489144 607676878 /nfs/dbraw/zinc/67/68/78/607676878.db2.gz IRORVRXDAJJROI-MEBBXXQBSA-N -1 1 399.473 1.339 20 0 GDADMM O=S(=O)(N[C@@H]1CCO[C@]2(CCSC2)C1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826489144 607676879 /nfs/dbraw/zinc/67/68/79/607676879.db2.gz IRORVRXDAJJROI-MEBBXXQBSA-N -1 1 399.473 1.339 20 0 GDADMM C[C@H](C(=O)NC(=O)NCc1ccccc1)N1CCC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000825256156 604220168 /nfs/dbraw/zinc/22/01/68/604220168.db2.gz USDNGDMWDDVPOF-SQWLQELKSA-N -1 1 376.457 1.769 20 0 GDADMM Cc1cc(F)cc2c(O)c(C(=O)N3CCN([C@H](C)CC(=O)[O-])CC3)cnc12 ZINC000832887779 604298602 /nfs/dbraw/zinc/29/86/02/604298602.db2.gz HAWVKDUWUYCAAD-GFCCVEGCSA-N -1 1 375.400 1.597 20 0 GDADMM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CC[C@]2(O)CCCC[C@H]2C1 ZINC000833104787 604369030 /nfs/dbraw/zinc/36/90/30/604369030.db2.gz FDMOUDGHOSKBOW-XWFZLUIHSA-N -1 1 399.491 1.907 20 0 GDADMM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)CCNC(=O)c1n[nH]c2ccccc21 ZINC000827001676 604441363 /nfs/dbraw/zinc/44/13/63/604441363.db2.gz RQCCDRAQQUPPIY-CQSZACIVSA-N -1 1 376.413 1.019 20 0 GDADMM CS[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])C[C@H]1N(C)C ZINC000833738749 604467786 /nfs/dbraw/zinc/46/77/86/604467786.db2.gz RADVQFAXGHKTSU-VXGBXAGGSA-N -1 1 378.903 1.704 20 0 GDADMM O=C([O-])c1csc(NC(=O)C(=O)NCC2(N3CCSCC3)CCCC2)c1 ZINC000833140654 604479424 /nfs/dbraw/zinc/47/94/24/604479424.db2.gz RHONOQZROLQLEH-UHFFFAOYSA-N -1 1 397.522 1.863 20 0 GDADMM CS(=O)(=O)c1csc(C(=O)Nc2nnc(CCCC(=O)[O-])s2)c1 ZINC000833736863 604479847 /nfs/dbraw/zinc/47/98/47/604479847.db2.gz BQUHZAJFTKTACO-UHFFFAOYSA-N -1 1 375.453 1.663 20 0 GDADMM COc1cc(OC)cc([C@@H](C(=O)[O-])N2CC[C@@]3(C2)NC(=O)N(C(C)C)C3=O)c1 ZINC000832041521 604479927 /nfs/dbraw/zinc/47/99/27/604479927.db2.gz ULJGOHCBJTXAEB-KXBFYZLASA-N -1 1 391.424 1.234 20 0 GDADMM CN([C@@H]1CCCc2c1cnn2C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825888640 607695401 /nfs/dbraw/zinc/69/54/01/607695401.db2.gz TVEAAFMYGLMVPX-CYBMUJFWSA-N -1 1 391.432 1.437 20 0 GDADMM CN([C@@H]1CCCc2c1cnn2C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825888640 607695402 /nfs/dbraw/zinc/69/54/02/607695402.db2.gz TVEAAFMYGLMVPX-CYBMUJFWSA-N -1 1 391.432 1.437 20 0 GDADMM CC(C)(O)CN1CCN(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])CC1 ZINC000826636881 604527044 /nfs/dbraw/zinc/52/70/44/604527044.db2.gz SICWJWSFOUXLEO-MRXNPFEDSA-N -1 1 377.485 1.937 20 0 GDADMM Cc1nnnn1-c1ccc(F)c(NC(=O)CN(C)C2CCN(C(=O)[O-])CC2)c1 ZINC000830899211 604567450 /nfs/dbraw/zinc/56/74/50/604567450.db2.gz XVFIBYUKFANZAO-UHFFFAOYSA-N -1 1 391.407 1.123 20 0 GDADMM Cc1ccc(-c2n[nH]c(SCC(=O)O[C@H](C)C(=O)NCC(=O)[O-])n2)cc1 ZINC000832907518 604604777 /nfs/dbraw/zinc/60/47/77/604604777.db2.gz AKSRXADYTVVBEX-SNVBAGLBSA-N -1 1 378.410 1.005 20 0 GDADMM C[C@@H](CN(CC(=O)Nc1cc(-n2cnnn2)ccc1Cl)C1CC1)C(=O)[O-] ZINC000827449707 604739476 /nfs/dbraw/zinc/73/94/76/604739476.db2.gz NZLPCSKTDHTCOT-JTQLQIEISA-N -1 1 378.820 1.439 20 0 GDADMM Cc1cnn(CC2CCN(CC(=O)N3Cc4ccccc4C[C@H]3C(=O)[O-])CC2)c1 ZINC000832987061 604757115 /nfs/dbraw/zinc/75/71/15/604757115.db2.gz OIBDQXZRLYGZCD-FQEVSTJZSA-N -1 1 396.491 1.942 20 0 GDADMM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)c2ccc3c(=O)[nH]c(=S)[nH]c3c2)CCO1 ZINC000825334054 604773383 /nfs/dbraw/zinc/77/33/83/604773383.db2.gz FCKYCQUMUWZRHB-PRHODGIISA-N -1 1 378.410 1.121 20 0 GDADMM O=C([O-])CCCN(CC(=O)N1CCC2(CC1)OCCO2)Cc1ccccc1 ZINC000833225730 604802754 /nfs/dbraw/zinc/80/27/54/604802754.db2.gz LJHVJCCNTMUYJG-UHFFFAOYSA-N -1 1 376.453 1.719 20 0 GDADMM O=C([O-])CCCN(CC(=O)N1CCN(c2cnccn2)CC1)Cc1ccccc1 ZINC000833226000 604803635 /nfs/dbraw/zinc/80/36/35/604803635.db2.gz ZYEAEWURNCQKEA-UHFFFAOYSA-N -1 1 397.479 1.492 20 0 GDADMM CCC(=O)c1cccc(S(=O)(=O)NCCCN2CCC(C(=O)[O-])CC2)c1 ZINC000828580456 604804424 /nfs/dbraw/zinc/80/44/24/604804424.db2.gz JHCNQGBRTNISFO-UHFFFAOYSA-N -1 1 382.482 1.744 20 0 GDADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CC(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000826295128 607718364 /nfs/dbraw/zinc/71/83/64/607718364.db2.gz SGOPOUGGDFMPNQ-DOMZBBRYSA-N -1 1 395.467 1.922 20 0 GDADMM Cc1cc(C[C@H](C)NC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)n[nH]1 ZINC000832883695 604873618 /nfs/dbraw/zinc/87/36/18/604873618.db2.gz OPROHSLWCPXDIP-QMMMGPOBSA-N -1 1 396.350 1.704 20 0 GDADMM Cc1cc(C[C@@H](C)NC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)n[nH]1 ZINC000832883692 604873696 /nfs/dbraw/zinc/87/36/96/604873696.db2.gz OPROHSLWCPXDIP-MRVPVSSYSA-N -1 1 396.350 1.704 20 0 GDADMM Cn1cc(NC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cc1C(=O)[O-] ZINC000833051123 604961909 /nfs/dbraw/zinc/96/19/09/604961909.db2.gz OFGLIOZFUNBTSW-NVXWUHKLSA-N -1 1 386.452 1.728 20 0 GDADMM O=C([O-])[C@@H](O)C1CCN(CCN2c3cccc4cccc(c34)S2(=O)=O)CC1 ZINC000833770573 604976454 /nfs/dbraw/zinc/97/64/54/604976454.db2.gz JDQCGAYJLVZDLJ-SFHVURJKSA-N -1 1 390.461 1.506 20 0 GDADMM C[C@@H](C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000833410535 605057639 /nfs/dbraw/zinc/05/76/39/605057639.db2.gz CUBDCTDKDGFELK-GARJFASQSA-N -1 1 384.392 1.763 20 0 GDADMM C[C@]1(c2cccc(C(=O)Nc3nc4cccc(C(=O)[O-])c4[nH]3)c2)NC(=O)NC1=O ZINC000833572909 605060616 /nfs/dbraw/zinc/06/06/16/605060616.db2.gz DZSNIIUHIHVMAZ-LJQANCHMSA-N -1 1 393.359 1.568 20 0 GDADMM CCCn1c2ccccc2n(CCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c1=O ZINC000833653083 605081780 /nfs/dbraw/zinc/08/17/80/605081780.db2.gz VEQWGSKZPUHDSD-AWEZNQCLSA-N -1 1 385.424 1.138 20 0 GDADMM COC(=O)c1cc(NC(=O)[C@H](C)N2CCC[C@H]2C[C@H](C)O)cc(C(=O)[O-])c1 ZINC000833713529 605090966 /nfs/dbraw/zinc/09/09/66/605090966.db2.gz RQTPGALHTVWGQC-MKBNYLNASA-N -1 1 378.425 1.734 20 0 GDADMM CC(C)C[C@H](NC(=O)CN[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)[O-] ZINC000833476449 605093442 /nfs/dbraw/zinc/09/34/42/605093442.db2.gz BYQNBZVGLNLGGE-BBRMVZONSA-N -1 1 399.513 1.203 20 0 GDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000833626344 605096591 /nfs/dbraw/zinc/09/65/91/605096591.db2.gz ZWFWVZBYVSPJKD-OLZOCXBDSA-N -1 1 395.406 1.325 20 0 GDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000833625621 605115471 /nfs/dbraw/zinc/11/54/71/605115471.db2.gz 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ZINC000833621665 605279002 /nfs/dbraw/zinc/27/90/02/605279002.db2.gz LBKLPNCQDGPTPS-GFCCVEGCSA-N -1 1 394.859 1.491 20 0 GDADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)[C@H]3CCc4n[nH]cc4C3)cc2)n1 ZINC000834246674 605316169 /nfs/dbraw/zinc/31/61/69/605316169.db2.gz HEZGLKBCAQNEQQ-NSHDSACASA-N -1 1 381.396 1.706 20 0 GDADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)[C@H]3CCc4n[nH]cc4C3)cc2)n[nH]1 ZINC000834246674 605316181 /nfs/dbraw/zinc/31/61/81/605316181.db2.gz HEZGLKBCAQNEQQ-NSHDSACASA-N -1 1 381.396 1.706 20 0 GDADMM CC1=C(C(=O)[O-])C[C@H](CN2CCN(CCNC(=O)c3ccccc3F)CC2)O1 ZINC000833577680 605339892 /nfs/dbraw/zinc/33/98/92/605339892.db2.gz FWDUJHYFGKWRDI-OAHLLOKOSA-N -1 1 391.443 1.321 20 0 GDADMM O=C([O-])N1CC[C@H](CNC(=O)NCCCN2CCN(c3ccccc3)CC2)C1 ZINC000834039895 605364722 /nfs/dbraw/zinc/36/47/22/605364722.db2.gz ZRYUKLOQBYMRAJ-QGZVFWFLSA-N -1 1 389.500 1.498 20 0 GDADMM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000833682166 605425020 /nfs/dbraw/zinc/42/50/20/605425020.db2.gz LYISTDCBXIEAEV-CQSZACIVSA-N -1 1 380.466 1.991 20 0 GDADMM O=C([O-])NC[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000832500576 605502351 /nfs/dbraw/zinc/50/23/51/605502351.db2.gz XLIJKYXWBYCFAW-SWLSCSKDSA-N -1 1 386.412 1.148 20 0 GDADMM CC(C)CN1CCO[C@H](CNC(=O)c2cnn([C@H]3CCCN(C(=O)[O-])C3)c2)C1 ZINC000833797408 605607574 /nfs/dbraw/zinc/60/75/74/605607574.db2.gz XMMCDYPXGRSKLG-DLBZAZTESA-N -1 1 393.488 1.285 20 0 GDADMM O=C([O-])NCc1nc(C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)cs1 ZINC000834248278 605622312 /nfs/dbraw/zinc/62/23/12/605622312.db2.gz BTEPALQDHNQRHA-CQSZACIVSA-N -1 1 390.465 1.060 20 0 GDADMM O=C([O-])N1CCC[C@@H]1C(=O)NC[C@H]1CCCN(Cc2cnc3cnccn23)C1 ZINC000834026274 605686021 /nfs/dbraw/zinc/68/60/21/605686021.db2.gz MANNVDCZBHCGGM-GDBMZVCRSA-N -1 1 386.456 1.200 20 0 GDADMM COc1cc(NC(C)=O)ccc1[C@@H](C)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000833887959 605694673 /nfs/dbraw/zinc/69/46/73/605694673.db2.gz PEVFYXSEPLRBJJ-GFCCVEGCSA-N -1 1 378.429 1.126 20 0 GDADMM O=C([O-])Nc1cccc(CC(=O)OCC2=Nc3ccccc3S(=O)(=O)N2)c1 ZINC000834269016 605799389 /nfs/dbraw/zinc/79/93/89/605799389.db2.gz OEHPGYKEIXPYNQ-UHFFFAOYSA-N -1 1 389.389 1.884 20 0 GDADMM O=C([O-])N1CCC[C@@H](CNC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)C1 ZINC000834101288 605820331 /nfs/dbraw/zinc/82/03/31/605820331.db2.gz XFENFDMCJFLZRD-JSGCOSHPSA-N -1 1 376.461 1.961 20 0 GDADMM C[C@@H]1C[C@H](CNC(=O)[O-])CN1CC(=O)N(CCC(N)=O)c1ccc(F)cc1 ZINC000833833252 605881094 /nfs/dbraw/zinc/88/10/94/605881094.db2.gz XBZSFYMEJCFQSW-CHWSQXEVSA-N -1 1 380.420 1.012 20 0 GDADMM C[C@@H]1C[C@@H](CNC(=O)[O-])CN1CC(=O)NCC1(c2ccccc2)CCOCC1 ZINC000833828431 605883209 /nfs/dbraw/zinc/88/32/09/605883209.db2.gz DQDDGPOEMXGOJH-SJORKVTESA-N -1 1 389.496 1.829 20 0 GDADMM O=C([O-])N1CCc2ncc(NC(=O)N3CCN(C4CCOCC4)CC3)cc2C1 ZINC000834120627 605924937 /nfs/dbraw/zinc/92/49/37/605924937.db2.gz MKWRSJCORFIQSB-UHFFFAOYSA-N -1 1 389.456 1.446 20 0 GDADMM O=C([O-])Nc1ccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c([O-])c1 ZINC000834258028 605957066 /nfs/dbraw/zinc/95/70/66/605957066.db2.gz SFQVPUKFVDFNGL-HOTGVXAUSA-N -1 1 377.441 1.980 20 0 GDADMM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2CC(=O)N1CCN(Cc2ccco2)CC1 ZINC000834094976 605966805 /nfs/dbraw/zinc/96/68/05/605966805.db2.gz MRZRQOOTFSDFAH-CVEARBPZSA-N -1 1 376.457 1.141 20 0 GDADMM O=C([O-])Nc1cnc(C(=O)NCCCN2CCN(c3ccccc3)CC2)cn1 ZINC000834281224 606055316 /nfs/dbraw/zinc/05/53/16/606055316.db2.gz ZDEANTYKZPUPCW-UHFFFAOYSA-N -1 1 384.440 1.509 20 0 GDADMM O=C([O-])N1CC[C@@H](CN2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)C1 ZINC000834004761 606094964 /nfs/dbraw/zinc/09/49/64/606094964.db2.gz FZYYGAGVKQXARG-AWEZNQCLSA-N -1 1 380.876 1.896 20 0 GDADMM Cc1ccc(CCC(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)o1 ZINC000822235023 606108396 /nfs/dbraw/zinc/10/83/96/606108396.db2.gz OXIJWGLPXMHDOU-UHFFFAOYSA-N -1 1 397.439 1.915 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CCC[C@@]3(CCCOC3)C2)cc1-c1nn[n-]n1 ZINC000821969784 606130000 /nfs/dbraw/zinc/13/00/00/606130000.db2.gz FDGCBVMEUUGSIO-QGZVFWFLSA-N -1 1 390.469 1.722 20 0 GDADMM CN(C)S(=O)(=O)c1cccc(COC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821588217 606134216 /nfs/dbraw/zinc/13/42/16/606134216.db2.gz HLCYIAMLEVIHAG-UHFFFAOYSA-N -1 1 393.450 1.536 20 0 GDADMM CN(C)S(=O)(=O)c1cccc(COC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821588217 606134218 /nfs/dbraw/zinc/13/42/18/606134218.db2.gz HLCYIAMLEVIHAG-UHFFFAOYSA-N -1 1 393.450 1.536 20 0 GDADMM CCc1cnc(CN(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)s1 ZINC000821497521 606146147 /nfs/dbraw/zinc/14/61/47/606146147.db2.gz VAQJPBJVJQJTNF-UHFFFAOYSA-N -1 1 382.446 1.845 20 0 GDADMM COC(=O)[C@H](CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)Cc1cccc(C)c1 ZINC000821641025 606155572 /nfs/dbraw/zinc/15/55/72/606155572.db2.gz UNLYEYUDSIKBKL-ZDUSSCGKSA-N -1 1 398.427 1.062 20 0 GDADMM COC(=O)[C@H](CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)Cc1cccc(C)c1 ZINC000821641025 606155574 /nfs/dbraw/zinc/15/55/74/606155574.db2.gz UNLYEYUDSIKBKL-ZDUSSCGKSA-N -1 1 398.427 1.062 20 0 GDADMM COc1ccc(OC)c(CN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C2CC2)c1 ZINC000821841152 606157239 /nfs/dbraw/zinc/15/72/39/606157239.db2.gz DLTNOKFSJRQZGQ-UHFFFAOYSA-N -1 1 398.427 1.814 20 0 GDADMM COc1ccc(OC)c(CN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C2CC2)c1 ZINC000821841152 606157240 /nfs/dbraw/zinc/15/72/40/606157240.db2.gz DLTNOKFSJRQZGQ-UHFFFAOYSA-N -1 1 398.427 1.814 20 0 GDADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1cccc(-n2cccn2)c1 ZINC000820379945 606161903 /nfs/dbraw/zinc/16/19/03/606161903.db2.gz IVJXOEHJYMUZFJ-LLVKDONJSA-N -1 1 378.400 1.669 20 0 GDADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1cccc(-n2cccn2)c1 ZINC000820379945 606161905 /nfs/dbraw/zinc/16/19/05/606161905.db2.gz IVJXOEHJYMUZFJ-LLVKDONJSA-N -1 1 378.400 1.669 20 0 GDADMM O=C(NC1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)c1cc(F)ccc1[O-] ZINC000823154840 606197076 /nfs/dbraw/zinc/19/70/76/606197076.db2.gz LJEWYTPGDUJRHN-UHFFFAOYSA-N -1 1 383.387 1.505 20 0 GDADMM O=C(Nc1ccc(O)cc1)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000823350542 606265616 /nfs/dbraw/zinc/26/56/16/606265616.db2.gz QVWWGAXSNKNNSR-UHFFFAOYSA-N -1 1 393.407 1.458 20 0 GDADMM O=C(Nc1ccc(O)cc1)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000823350542 606265618 /nfs/dbraw/zinc/26/56/18/606265618.db2.gz QVWWGAXSNKNNSR-UHFFFAOYSA-N -1 1 393.407 1.458 20 0 GDADMM C[C@H]1Oc2ccccc2N(CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])C1=O ZINC000820821656 606295433 /nfs/dbraw/zinc/29/54/33/606295433.db2.gz UGRSNVSVLVALIH-SNVBAGLBSA-N -1 1 380.364 1.325 20 0 GDADMM COC[C@H]1CCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000821685096 606434996 /nfs/dbraw/zinc/43/49/96/606434996.db2.gz UCWJWKNXZUJGHQ-SNVBAGLBSA-N -1 1 391.375 1.685 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCN(CCOc2ccccc2)CC1 ZINC000823484431 606494921 /nfs/dbraw/zinc/49/49/21/606494921.db2.gz XSTOSUHMFBCLFX-UHFFFAOYSA-N -1 1 384.465 1.765 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCN(CCOc2ccccc2)CC1 ZINC000823484431 606494923 /nfs/dbraw/zinc/49/49/23/606494923.db2.gz XSTOSUHMFBCLFX-UHFFFAOYSA-N -1 1 384.465 1.765 20 0 GDADMM CN(C)S(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821588224 606512049 /nfs/dbraw/zinc/51/20/49/606512049.db2.gz HWFYSSSBOLYVCK-UHFFFAOYSA-N -1 1 392.466 1.109 20 0 GDADMM CN(C)S(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821588224 606512051 /nfs/dbraw/zinc/51/20/51/606512051.db2.gz HWFYSSSBOLYVCK-UHFFFAOYSA-N -1 1 392.466 1.109 20 0 GDADMM O=C(NCCCS(=O)(=O)c1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823196505 606536709 /nfs/dbraw/zinc/53/67/09/606536709.db2.gz HHJDQCBHQFKVMJ-UHFFFAOYSA-N -1 1 377.451 1.522 20 0 GDADMM O=C(NCCCS(=O)(=O)c1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823196505 606536711 /nfs/dbraw/zinc/53/67/11/606536711.db2.gz HHJDQCBHQFKVMJ-UHFFFAOYSA-N -1 1 377.451 1.522 20 0 GDADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1noc(Cc2ccccc2)n1 ZINC000820390568 606545724 /nfs/dbraw/zinc/54/57/24/606545724.db2.gz IMPWMDASLMDOKK-NSHDSACASA-N -1 1 376.380 1.727 20 0 GDADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1noc(Cc2ccccc2)n1 ZINC000820390568 606545727 /nfs/dbraw/zinc/54/57/27/606545727.db2.gz IMPWMDASLMDOKK-NSHDSACASA-N -1 1 376.380 1.727 20 0 GDADMM CN1C(=S)N=NC1C1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000822604526 606552240 /nfs/dbraw/zinc/55/22/40/606552240.db2.gz GSXIQCJOXJTZRM-UHFFFAOYSA-N -1 1 376.471 1.365 20 0 GDADMM CN1C(=S)N=NC1C1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000822604526 606552241 /nfs/dbraw/zinc/55/22/41/606552241.db2.gz GSXIQCJOXJTZRM-UHFFFAOYSA-N -1 1 376.471 1.365 20 0 GDADMM COCCc1nc2cc(NC(=O)Nc3nn(C)cc3-c3nnn[n-]3)ccc2o1 ZINC000821694362 606618019 /nfs/dbraw/zinc/61/80/19/606618019.db2.gz JWQDZGCJSVFSRL-UHFFFAOYSA-N -1 1 383.372 1.574 20 0 GDADMM COCCc1nc2cc(NC(=O)Nc3nn(C)cc3-c3nn[n-]n3)ccc2o1 ZINC000821694362 606618021 /nfs/dbraw/zinc/61/80/21/606618021.db2.gz JWQDZGCJSVFSRL-UHFFFAOYSA-N -1 1 383.372 1.574 20 0 GDADMM O=C(CC[C@@H]1Cc2ccccc2NC1=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822955383 606647399 /nfs/dbraw/zinc/64/73/99/606647399.db2.gz SFGCVRXTCIIAPX-CQSZACIVSA-N -1 1 378.392 1.896 20 0 GDADMM O=C(CC[C@@H]1Cc2ccccc2NC1=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822955383 606647400 /nfs/dbraw/zinc/64/74/00/606647400.db2.gz SFGCVRXTCIIAPX-CQSZACIVSA-N -1 1 378.392 1.896 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)C1CCN(C(=O)c2ccoc2)CC1 ZINC000823436244 606647753 /nfs/dbraw/zinc/64/77/53/606647753.db2.gz NNKKRVRAADMXRT-UHFFFAOYSA-N -1 1 382.380 1.450 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)C1CCN(C(=O)c2ccoc2)CC1 ZINC000823436244 606647754 /nfs/dbraw/zinc/64/77/54/606647754.db2.gz NNKKRVRAADMXRT-UHFFFAOYSA-N -1 1 382.380 1.450 20 0 GDADMM CC(=O)N(CCC(=O)OCc1ccnc(-c2nnn[n-]2)c1)Cc1ccccc1 ZINC000819789622 606649336 /nfs/dbraw/zinc/64/93/36/606649336.db2.gz VXWOASHJOYDMFZ-UHFFFAOYSA-N -1 1 380.408 1.744 20 0 GDADMM CC(=O)N(CCC(=O)OCc1ccnc(-c2nn[n-]n2)c1)Cc1ccccc1 ZINC000819789622 606649337 /nfs/dbraw/zinc/64/93/37/606649337.db2.gz VXWOASHJOYDMFZ-UHFFFAOYSA-N -1 1 380.408 1.744 20 0 GDADMM CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000819906401 606650056 /nfs/dbraw/zinc/65/00/56/606650056.db2.gz FWYSIFXUURGKGC-CYBMUJFWSA-N -1 1 390.469 1.643 20 0 GDADMM CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000819906401 606650057 /nfs/dbraw/zinc/65/00/57/606650057.db2.gz FWYSIFXUURGKGC-CYBMUJFWSA-N -1 1 390.469 1.643 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CCOC[C@@H]2c2ccccc2)cc1-c1nn[n-]n1 ZINC000821971070 606658373 /nfs/dbraw/zinc/65/83/73/606658373.db2.gz XBADOULUYKWVNI-CQSZACIVSA-N -1 1 398.448 1.903 20 0 GDADMM CCO[C@@H]1C[C@@H](N(C)C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C1(C)C ZINC000821361159 606658386 /nfs/dbraw/zinc/65/83/86/606658386.db2.gz TVIFEDHGINNVCV-VXGBXAGGSA-N -1 1 392.485 1.965 20 0 GDADMM CC(C)(NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1cn(-c2ccccc2)nn1 ZINC000819988266 606691638 /nfs/dbraw/zinc/69/16/38/606691638.db2.gz WCQVMUGCUWWSRE-UHFFFAOYSA-N -1 1 375.396 1.508 20 0 GDADMM CC(C)(NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1cn(-c2ccccc2)nn1 ZINC000819988266 606691639 /nfs/dbraw/zinc/69/16/39/606691639.db2.gz WCQVMUGCUWWSRE-UHFFFAOYSA-N -1 1 375.396 1.508 20 0 GDADMM CC[C@H]1CC(=O)N(CN2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)C1 ZINC000820966648 606705076 /nfs/dbraw/zinc/70/50/76/606705076.db2.gz GDAWUESHYQTMQB-LBPRGKRZSA-N -1 1 386.460 1.070 20 0 GDADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc(N2CCCC2)c1 ZINC000820446667 606744145 /nfs/dbraw/zinc/74/41/45/606744145.db2.gz WNYFWBZFOBPIDG-CYBMUJFWSA-N -1 1 399.480 1.901 20 0 GDADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc(N2CCCC2)c1 ZINC000820446667 606744147 /nfs/dbraw/zinc/74/41/47/606744147.db2.gz WNYFWBZFOBPIDG-CYBMUJFWSA-N -1 1 399.480 1.901 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N(C)Cc1cccn1C ZINC000822458651 606746085 /nfs/dbraw/zinc/74/60/85/606746085.db2.gz HLUDFANLMUNFLW-UHFFFAOYSA-N -1 1 393.455 1.456 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N(C)Cc1cccn1C ZINC000822458651 606746087 /nfs/dbraw/zinc/74/60/87/606746087.db2.gz HLUDFANLMUNFLW-UHFFFAOYSA-N -1 1 393.455 1.456 20 0 GDADMM Cn1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cn1 ZINC000822673992 606764098 /nfs/dbraw/zinc/76/40/98/606764098.db2.gz IUFSSIVKEYWNFB-ZDUSSCGKSA-N -1 1 377.405 1.265 20 0 GDADMM COC(=O)c1oc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cc1C ZINC000821671020 606783621 /nfs/dbraw/zinc/78/36/21/606783621.db2.gz DCHRPAZPSOSPPV-GFCCVEGCSA-N -1 1 398.427 1.055 20 0 GDADMM COC(=O)c1oc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cc1C ZINC000821671020 606783622 /nfs/dbraw/zinc/78/36/22/606783622.db2.gz DCHRPAZPSOSPPV-GFCCVEGCSA-N -1 1 398.427 1.055 20 0 GDADMM C[C@@H](NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)c1cccs1 ZINC000820351764 606786961 /nfs/dbraw/zinc/78/69/61/606786961.db2.gz RGTSRNXWNVNONO-NWDGAFQWSA-N -1 1 399.484 1.700 20 0 GDADMM C[C@@H](NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)c1cccs1 ZINC000820351764 606786962 /nfs/dbraw/zinc/78/69/62/606786962.db2.gz RGTSRNXWNVNONO-NWDGAFQWSA-N -1 1 399.484 1.700 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCC1(C)CCCC1 ZINC000820788621 606792543 /nfs/dbraw/zinc/79/25/43/606792543.db2.gz KVPXXMJHSPSUQS-CYBMUJFWSA-N -1 1 385.476 1.457 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCC1(C)CCCC1 ZINC000820788621 606792546 /nfs/dbraw/zinc/79/25/46/606792546.db2.gz KVPXXMJHSPSUQS-CYBMUJFWSA-N -1 1 385.476 1.457 20 0 GDADMM CC(C)C1(CNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)CC1 ZINC000820788620 606794236 /nfs/dbraw/zinc/79/42/36/606794236.db2.gz KUEHIQIQRJDXND-ZDUSSCGKSA-N -1 1 385.476 1.313 20 0 GDADMM CC(C)C1(CNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)CC1 ZINC000820788620 606794237 /nfs/dbraw/zinc/79/42/37/606794237.db2.gz KUEHIQIQRJDXND-ZDUSSCGKSA-N -1 1 385.476 1.313 20 0 GDADMM CCc1nn(Cc2ccc(C(=O)OC)c(F)c2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000821518241 606794675 /nfs/dbraw/zinc/79/46/75/606794675.db2.gz RZQUQNJRMROJKX-UHFFFAOYSA-N -1 1 386.387 1.522 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1c(F)c(F)nc(F)c1F ZINC000820803794 606806691 /nfs/dbraw/zinc/80/66/91/606806691.db2.gz HHZYVGMLPJLBOD-SSDOTTSWSA-N -1 1 395.324 1.323 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1c(F)c(F)nc(F)c1F ZINC000820803794 606806692 /nfs/dbraw/zinc/80/66/92/606806692.db2.gz HHZYVGMLPJLBOD-SSDOTTSWSA-N -1 1 395.324 1.323 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc2occc2s1 ZINC000820789027 606818384 /nfs/dbraw/zinc/81/83/84/606818384.db2.gz UBQPHIWBTBUHFO-JTQLQIEISA-N -1 1 396.436 1.815 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc2occc2s1 ZINC000820789027 606818385 /nfs/dbraw/zinc/81/83/85/606818385.db2.gz UBQPHIWBTBUHFO-JTQLQIEISA-N -1 1 396.436 1.815 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C=C(C1CC1)C1CC1 ZINC000820777117 606820135 /nfs/dbraw/zinc/82/01/35/606820135.db2.gz PECRZQIRQCGSSO-LBPRGKRZSA-N -1 1 380.456 1.440 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C=C(C1CC1)C1CC1 ZINC000820777117 606820137 /nfs/dbraw/zinc/82/01/37/606820137.db2.gz PECRZQIRQCGSSO-LBPRGKRZSA-N -1 1 380.456 1.440 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc2ccccc2[nH]1 ZINC000820789039 606820260 /nfs/dbraw/zinc/82/02/60/606820260.db2.gz UHFNDLSXWNAWAO-GFCCVEGCSA-N -1 1 389.423 1.489 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc2ccccc2[nH]1 ZINC000820789039 606820262 /nfs/dbraw/zinc/82/02/62/606820262.db2.gz UHFNDLSXWNAWAO-GFCCVEGCSA-N -1 1 389.423 1.489 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc(F)c(F)c1 ZINC000820789059 606820277 /nfs/dbraw/zinc/82/02/77/606820277.db2.gz UWFOMBNYWKMKRG-JTQLQIEISA-N -1 1 386.366 1.286 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc(F)c(F)c1 ZINC000820789059 606820278 /nfs/dbraw/zinc/82/02/78/606820278.db2.gz UWFOMBNYWKMKRG-JTQLQIEISA-N -1 1 386.366 1.286 20 0 GDADMM COc1ccccc1CCN(C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821890253 606844008 /nfs/dbraw/zinc/84/40/08/606844008.db2.gz LBLZNMYTCXUUQT-UHFFFAOYSA-N -1 1 391.428 1.878 20 0 GDADMM CCO[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1(C)C ZINC000821360384 606844113 /nfs/dbraw/zinc/84/41/13/606844113.db2.gz RARBMDYELFNTOY-KBPBESRZSA-N -1 1 383.449 1.830 20 0 GDADMM Cc1oc(NC(=O)CN2CC(c3nc4ccccc4[nH]3)C2)c(-c2nn[n-]n2)c1C ZINC000822549241 606847006 /nfs/dbraw/zinc/84/70/06/606847006.db2.gz WVXLTEYOYMGOGW-UHFFFAOYSA-N -1 1 392.423 1.991 20 0 GDADMM CN(c1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)s1)S(C)(=O)=O ZINC000821618908 606869587 /nfs/dbraw/zinc/86/95/87/606869587.db2.gz AUMAHUKBFIIANO-UHFFFAOYSA-N -1 1 378.439 1.576 20 0 GDADMM CN(c1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)s1)S(C)(=O)=O ZINC000821618908 606869589 /nfs/dbraw/zinc/86/95/89/606869589.db2.gz AUMAHUKBFIIANO-UHFFFAOYSA-N -1 1 378.439 1.576 20 0 GDADMM COc1ccc(-c2nn[nH]n2)cc1NS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000821765452 606870554 /nfs/dbraw/zinc/87/05/54/606870554.db2.gz DHXVYPSTXJEBFK-UHFFFAOYSA-N -1 1 389.393 1.683 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCC1(C)CCCCC1 ZINC000820789204 606872033 /nfs/dbraw/zinc/87/20/33/606872033.db2.gz XNTIDNLKTOTPDK-CQSZACIVSA-N -1 1 399.503 1.847 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCC1(C)CCCCC1 ZINC000820789204 606872034 /nfs/dbraw/zinc/87/20/34/606872034.db2.gz XNTIDNLKTOTPDK-CQSZACIVSA-N -1 1 399.503 1.847 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000823601058 606875735 /nfs/dbraw/zinc/87/57/35/606875735.db2.gz PJPQBZNEQXDUSS-GFCCVEGCSA-N -1 1 390.400 1.243 20 0 GDADMM Cn1cc(C(C)(C)[N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)cn1 ZINC000822669693 606892786 /nfs/dbraw/zinc/89/27/86/606892786.db2.gz LTPYJOXUUGYQLE-UHFFFAOYSA-N -1 1 383.384 1.092 20 0 GDADMM COC(=O)[C@H]1CCCCCC[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821655552 606897740 /nfs/dbraw/zinc/89/77/40/606897740.db2.gz NIIQPACLACWNBN-QWHCGFSZSA-N -1 1 394.457 1.052 20 0 GDADMM COC(=O)[C@H]1CCCCCC[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821655552 606897741 /nfs/dbraw/zinc/89/77/41/606897741.db2.gz NIIQPACLACWNBN-QWHCGFSZSA-N -1 1 394.457 1.052 20 0 GDADMM COC(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821655405 606907824 /nfs/dbraw/zinc/90/78/24/606907824.db2.gz KJOMNCLKPYRQPS-PWSUYJOCSA-N -1 1 376.421 1.234 20 0 GDADMM COC(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821655405 606907826 /nfs/dbraw/zinc/90/78/26/606907826.db2.gz KJOMNCLKPYRQPS-PWSUYJOCSA-N -1 1 376.421 1.234 20 0 GDADMM Cc1cc(Cl)cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1 ZINC000822201037 606922975 /nfs/dbraw/zinc/92/29/75/606922975.db2.gz NWWNSFJOALOHMT-GFCCVEGCSA-N -1 1 398.858 1.969 20 0 GDADMM Cc1cc(Cl)cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1 ZINC000822201037 606922977 /nfs/dbraw/zinc/92/29/77/606922977.db2.gz NWWNSFJOALOHMT-GFCCVEGCSA-N -1 1 398.858 1.969 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000823482859 606937457 /nfs/dbraw/zinc/93/74/57/606937457.db2.gz AYVRGEDQFHRZPI-KGLIPLIRSA-N -1 1 385.449 1.893 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000823482859 606937460 /nfs/dbraw/zinc/93/74/60/606937460.db2.gz AYVRGEDQFHRZPI-KGLIPLIRSA-N -1 1 385.449 1.893 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCc1ccc(F)cn1 ZINC000822459760 606954002 /nfs/dbraw/zinc/95/40/02/606954002.db2.gz VOHQLLSQPBPRLK-UHFFFAOYSA-N -1 1 395.402 1.309 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCc1ccc(F)cn1 ZINC000822459760 606954003 /nfs/dbraw/zinc/95/40/03/606954003.db2.gz VOHQLLSQPBPRLK-UHFFFAOYSA-N -1 1 395.402 1.309 20 0 GDADMM O=C(C[C@H]1COCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000822945894 606955187 /nfs/dbraw/zinc/95/51/87/606955187.db2.gz SRUQLCTVJFPNON-HNNXBMFYSA-N -1 1 378.392 1.376 20 0 GDADMM O=C(C[C@H]1COCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000822945894 606955189 /nfs/dbraw/zinc/95/51/89/606955189.db2.gz SRUQLCTVJFPNON-HNNXBMFYSA-N -1 1 378.392 1.376 20 0 GDADMM Cc1ccc(CN2C[C@@H](C(=O)Nc3ncc(-c4nnn[n-]4)s3)CC2=O)cc1 ZINC000822237332 607024433 /nfs/dbraw/zinc/02/44/33/607024433.db2.gz PFTOGVPCIAGLAI-LBPRGKRZSA-N -1 1 383.437 1.619 20 0 GDADMM Cc1ccc(CN2C[C@@H](C(=O)Nc3ncc(-c4nn[n-]n4)s3)CC2=O)cc1 ZINC000822237332 607024435 /nfs/dbraw/zinc/02/44/35/607024435.db2.gz PFTOGVPCIAGLAI-LBPRGKRZSA-N -1 1 383.437 1.619 20 0 GDADMM CCc1nnc(Sc2nnc(-c3ccco3)n2N)c(-c2nn[n-]n2)c1CC ZINC000821547967 607027598 /nfs/dbraw/zinc/02/75/98/607027598.db2.gz DUBKMFQCFSTMKA-UHFFFAOYSA-N -1 1 384.429 1.498 20 0 GDADMM CC(C)CO[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000820096621 607050491 /nfs/dbraw/zinc/05/04/91/607050491.db2.gz CYLXBMCLZNGLAY-GFCCVEGCSA-N -1 1 385.877 1.956 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)N[C@@H](CCO)C(C)C)c1-c1nn[n-]n1 ZINC000821990556 607061992 /nfs/dbraw/zinc/06/19/92/607061992.db2.gz UMYHFFYXLZVXGZ-LBPRGKRZSA-N -1 1 376.486 1.998 20 0 GDADMM CCCn1c2ccccc2n(CCC(=O)Nc2ncc(-c3nnn[n-]3)s2)c1=O ZINC000821141953 607104167 /nfs/dbraw/zinc/10/41/67/607104167.db2.gz AKWXPCGAPWNBQF-UHFFFAOYSA-N -1 1 398.452 1.878 20 0 GDADMM CCCn1c2ccccc2n(CCC(=O)Nc2ncc(-c3nn[n-]n3)s2)c1=O ZINC000821141953 607104168 /nfs/dbraw/zinc/10/41/68/607104168.db2.gz AKWXPCGAPWNBQF-UHFFFAOYSA-N -1 1 398.452 1.878 20 0 GDADMM COc1ccc([C@H](CC(=O)Nc2ncc(-c3nnn[n-]3)s2)NC(C)=O)cc1 ZINC000821778072 607108103 /nfs/dbraw/zinc/10/81/03/607108103.db2.gz SVWCVEBBNCQNLV-LBPRGKRZSA-N -1 1 387.425 1.538 20 0 GDADMM COc1ccc([C@H](CC(=O)Nc2ncc(-c3nn[n-]n3)s2)NC(C)=O)cc1 ZINC000821778072 607108105 /nfs/dbraw/zinc/10/81/05/607108105.db2.gz SVWCVEBBNCQNLV-LBPRGKRZSA-N -1 1 387.425 1.538 20 0 GDADMM O=C([C@@H]1CC12CCC2)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000822916946 607115267 /nfs/dbraw/zinc/11/52/67/607115267.db2.gz JJXYFMUBUUBKIY-LBPRGKRZSA-N -1 1 395.423 1.954 20 0 GDADMM C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@@H](c2ccsc2)O1 ZINC000820768034 607127259 /nfs/dbraw/zinc/12/72/59/607127259.db2.gz LEXFWFRIMLMYNQ-YGRLFVJLSA-N -1 1 392.466 1.474 20 0 GDADMM C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@@H](c2ccsc2)O1 ZINC000820768034 607127261 /nfs/dbraw/zinc/12/72/61/607127261.db2.gz LEXFWFRIMLMYNQ-YGRLFVJLSA-N -1 1 392.466 1.474 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Oc1ccc(NC(=O)c2ccsc2)cc1 ZINC000823136026 607157213 /nfs/dbraw/zinc/15/72/13/607157213.db2.gz GMWMWWDMOQUPPR-UHFFFAOYSA-N -1 1 396.392 1.378 20 0 GDADMM Cc1cnc(CN(C)[C@H]2CCN(c3c4ccccc4nnc3-c3nnn[n-]3)C2)o1 ZINC000822389250 607174775 /nfs/dbraw/zinc/17/47/75/607174775.db2.gz PYLLWCKJAKLKSW-ZDUSSCGKSA-N -1 1 391.439 1.817 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@H]1CCCC[C@@H]1CO ZINC000822459739 607186358 /nfs/dbraw/zinc/18/63/58/607186358.db2.gz UWGHWEVRCNNPDS-CJNGLKHVSA-N -1 1 398.471 1.126 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@H]1CCCC[C@@H]1CO ZINC000822459739 607186359 /nfs/dbraw/zinc/18/63/59/607186359.db2.gz UWGHWEVRCNNPDS-CJNGLKHVSA-N -1 1 398.471 1.126 20 0 GDADMM C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1nc2ccccc2n1C(F)F ZINC000820333813 607205912 /nfs/dbraw/zinc/20/59/12/607205912.db2.gz GSNRLWCKBATPQB-QMMMGPOBSA-N -1 1 388.342 1.080 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000823136348 607209730 /nfs/dbraw/zinc/20/97/30/607209730.db2.gz XFLUSCDRPXZEGG-UHFFFAOYSA-N -1 1 387.835 1.741 20 0 GDADMM Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822423852 607210375 /nfs/dbraw/zinc/21/03/75/607210375.db2.gz PUKWEXBNWIUOLY-SNVBAGLBSA-N -1 1 395.452 1.768 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1CCc2cc(Br)ccc21 ZINC000823127188 607210459 /nfs/dbraw/zinc/21/04/59/607210459.db2.gz WBOUNFYAYHFQFC-NSHDSACASA-N -1 1 389.217 1.024 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1nc2cc(Cl)ccc2s1 ZINC000823131620 607211792 /nfs/dbraw/zinc/21/17/92/607211792.db2.gz KGNMLRPDUPYCKJ-UHFFFAOYSA-N -1 1 375.805 1.038 20 0 GDADMM CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821596690 607212206 /nfs/dbraw/zinc/21/22/06/607212206.db2.gz RMYNPXBXHLGJBY-ZBFHGGJFSA-N -1 1 382.428 1.085 20 0 GDADMM COc1ccc2oc([C@@H](C)NC(=O)Cn3cnc(-c4nn[n-]n4)n3)c(C)c2c1 ZINC000821854429 607215154 /nfs/dbraw/zinc/21/51/54/607215154.db2.gz JJRQPSXVXVFUON-SNVBAGLBSA-N -1 1 382.384 1.399 20 0 GDADMM CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000819949911 607217129 /nfs/dbraw/zinc/21/71/29/607217129.db2.gz BUZMKNYYNSZQPM-MHZLTWQESA-N -1 1 388.457 1.144 20 0 GDADMM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821678238 607218082 /nfs/dbraw/zinc/21/80/82/607218082.db2.gz LNDXBMPTTNOQKP-RNCFNFMXSA-N -1 1 376.808 1.004 20 0 GDADMM CCCN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000821083254 607218714 /nfs/dbraw/zinc/21/87/14/607218714.db2.gz WLPMNYZMMWSLDE-KBPBESRZSA-N -1 1 388.476 1.435 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCc2cc(-c3cccc(F)c3)ccc21 ZINC000823125702 607220720 /nfs/dbraw/zinc/22/07/20/607220720.db2.gz BHXQQCXJWBBIGW-UHFFFAOYSA-N -1 1 390.382 1.854 20 0 GDADMM COc1ccc(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c(OC2CCCC2)c1 ZINC000821798652 607221568 /nfs/dbraw/zinc/22/15/68/607221568.db2.gz INJWFTRWVRASQO-UHFFFAOYSA-N -1 1 398.427 1.105 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H](C)Cc1ccc(O)cc1 ZINC000822004857 607230707 /nfs/dbraw/zinc/23/07/07/607230707.db2.gz LVKOZBFCEWQYDI-NSHDSACASA-N -1 1 396.451 1.970 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCO[C@]2(CCc3ccccc32)C1 ZINC000826494444 607812625 /nfs/dbraw/zinc/81/26/25/607812625.db2.gz CDDQRCSFDKPRHN-GOSISDBHSA-N -1 1 398.448 1.124 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCO[C@]2(CCc3ccccc32)C1 ZINC000826494444 607812626 /nfs/dbraw/zinc/81/26/26/607812626.db2.gz CDDQRCSFDKPRHN-GOSISDBHSA-N -1 1 398.448 1.124 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H](CO)Cc1ccccc1 ZINC000826232937 607832144 /nfs/dbraw/zinc/83/21/44/607832144.db2.gz NTTWGEPTGALVEK-HNNXBMFYSA-N -1 1 396.451 1.237 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)c1ccc2c(c1)CC(=O)N2C ZINC000824722949 607856259 /nfs/dbraw/zinc/85/62/59/607856259.db2.gz KOUUDAMIDUDGGE-SNVBAGLBSA-N -1 1 392.375 1.209 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)c1ccc2c(c1)CC(=O)N2C ZINC000824722949 607856260 /nfs/dbraw/zinc/85/62/60/607856260.db2.gz KOUUDAMIDUDGGE-SNVBAGLBSA-N -1 1 392.375 1.209 20 0 GDADMM C[C@]1(NS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CCOC1 ZINC000824838191 607907671 /nfs/dbraw/zinc/90/76/71/607907671.db2.gz NCOPYTAEVJBTPP-LBPRGKRZSA-N -1 1 377.348 1.343 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)c2cccc(-n3ccnn3)c2)n1 ZINC000824148413 607926998 /nfs/dbraw/zinc/92/69/98/607926998.db2.gz UBTJAFYCIHFWKK-UHFFFAOYSA-N -1 1 378.400 1.651 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2cccc(-n3ccnn3)c2)n1 ZINC000824148413 607926999 /nfs/dbraw/zinc/92/69/99/607926999.db2.gz UBTJAFYCIHFWKK-UHFFFAOYSA-N -1 1 378.400 1.651 20 0 GDADMM CC(C)(C)c1cc(NC(=O)CCN2C(=O)CCC2=O)c(-c2nnn[n-]2)s1 ZINC000824130161 607930070 /nfs/dbraw/zinc/93/00/70/607930070.db2.gz IFTSMJSHAKGLAW-UHFFFAOYSA-N -1 1 376.442 1.703 20 0 GDADMM CC(C)(C)c1cc(NC(=O)CCN2C(=O)CCC2=O)c(-c2nn[n-]n2)s1 ZINC000824130161 607930071 /nfs/dbraw/zinc/93/00/71/607930071.db2.gz IFTSMJSHAKGLAW-UHFFFAOYSA-N -1 1 376.442 1.703 20 0 GDADMM COc1ccc(CN(C)[C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)cn1 ZINC000826192435 607957254 /nfs/dbraw/zinc/95/72/54/607957254.db2.gz NOSDFIGVZXTSNA-LLVKDONJSA-N -1 1 385.428 1.939 20 0 GDADMM Cc1oc(NC(=O)COC(=O)c2cc(F)cc(F)c2N)c(-c2nn[n-]n2)c1C ZINC000826342367 607959855 /nfs/dbraw/zinc/95/98/55/607959855.db2.gz HXKDLQOEURPQSO-UHFFFAOYSA-N -1 1 392.322 1.732 20 0 GDADMM CN(C(=O)c1ccc(C(=O)n2ncc(-c3nn[n-]n3)c2N)cc1)c1ccccc1 ZINC000825829389 607961053 /nfs/dbraw/zinc/96/10/53/607961053.db2.gz DOYORVSFXNPRQV-UHFFFAOYSA-N -1 1 388.391 1.611 20 0 GDADMM CC(=O)N(Cc1noc(C(C)C)n1)[C@@H]1CCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000823967560 607966978 /nfs/dbraw/zinc/96/69/78/607966978.db2.gz OCHMZMOLVHPLEL-CYBMUJFWSA-N -1 1 397.443 1.396 20 0 GDADMM CC(=O)N(Cc1noc(C(C)C)n1)[C@@H]1CCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000823967560 607966979 /nfs/dbraw/zinc/96/69/79/607966979.db2.gz OCHMZMOLVHPLEL-CYBMUJFWSA-N -1 1 397.443 1.396 20 0 GDADMM O[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)COc1cccc(Cl)c1Cl ZINC000826502869 607990030 /nfs/dbraw/zinc/99/00/30/607990030.db2.gz LTRCCDKWNCUZFC-QMMMGPOBSA-N -1 1 382.211 1.815 20 0 GDADMM O[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)COc1cccc(Cl)c1Cl ZINC000826502869 607990031 /nfs/dbraw/zinc/99/00/31/607990031.db2.gz LTRCCDKWNCUZFC-QMMMGPOBSA-N -1 1 382.211 1.815 20 0 GDADMM CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825342424 607998381 /nfs/dbraw/zinc/99/83/81/607998381.db2.gz SCTSSNFKFWWZAL-CYBMUJFWSA-N -1 1 394.457 1.105 20 0 GDADMM C[C@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000824045371 607998992 /nfs/dbraw/zinc/99/89/92/607998992.db2.gz LSBOUPJFPCOYCK-YUSALJHKSA-N -1 1 384.396 1.075 20 0 GDADMM CCc1onc(C)c1NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000825775975 608009125 /nfs/dbraw/zinc/00/91/25/608009125.db2.gz BKSULTSCSJMDIV-JTQLQIEISA-N -1 1 398.431 1.258 20 0 GDADMM CCc1onc(C)c1NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000825775975 608009126 /nfs/dbraw/zinc/00/91/26/608009126.db2.gz BKSULTSCSJMDIV-JTQLQIEISA-N -1 1 398.431 1.258 20 0 GDADMM COc1cc(-c2nnc(Cn3ccnc3-c3nnn[n-]3)o2)cc(OC)c1OC ZINC000826166809 608013398 /nfs/dbraw/zinc/01/33/98/608013398.db2.gz BUBYOVIHAOEPIF-UHFFFAOYSA-N -1 1 384.356 1.187 20 0 GDADMM COc1cc(-c2nnc(Cn3ccnc3-c3nn[n-]n3)o2)cc(OC)c1OC ZINC000826166809 608013399 /nfs/dbraw/zinc/01/33/99/608013399.db2.gz BUBYOVIHAOEPIF-UHFFFAOYSA-N -1 1 384.356 1.187 20 0 GDADMM CC(C)c1cc(Br)ccc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000824341834 608031782 /nfs/dbraw/zinc/03/17/82/608031782.db2.gz FQZPVYVMNAADRN-UHFFFAOYSA-N -1 1 391.233 1.983 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)c1nc(-c2ccccc2)no1 ZINC000824429066 608037738 /nfs/dbraw/zinc/03/77/38/608037738.db2.gz VWFIPTMLTQFCOV-NSHDSACASA-N -1 1 376.380 1.845 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)c1nc(-c2ccccc2)no1 ZINC000824429066 608037739 /nfs/dbraw/zinc/03/77/39/608037739.db2.gz VWFIPTMLTQFCOV-NSHDSACASA-N -1 1 376.380 1.845 20 0 GDADMM CC[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)C(=O)OC ZINC000825149525 608054910 /nfs/dbraw/zinc/05/49/10/608054910.db2.gz ZOSCSEBKEYZALE-VIFPVBQESA-N -1 1 393.347 1.115 20 0 GDADMM CC(C)C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC000824235458 608106055 /nfs/dbraw/zinc/10/60/55/608106055.db2.gz HRSFQCAELNHTNC-NSHDSACASA-N -1 1 378.437 1.478 20 0 GDADMM CC(C)C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC000824235458 608106056 /nfs/dbraw/zinc/10/60/56/608106056.db2.gz HRSFQCAELNHTNC-NSHDSACASA-N -1 1 378.437 1.478 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H](C)C(=O)OCC(C)C ZINC000826340499 608121111 /nfs/dbraw/zinc/12/11/11/608121111.db2.gz AHEIWWDYQZWLBP-NSHDSACASA-N -1 1 386.412 1.876 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H](C)C(=O)OCC(C)C ZINC000826340499 608121112 /nfs/dbraw/zinc/12/11/12/608121112.db2.gz AHEIWWDYQZWLBP-NSHDSACASA-N -1 1 386.412 1.876 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NC[C@@H]2CCCCS2)n1 ZINC000824147195 608141796 /nfs/dbraw/zinc/14/17/96/608141796.db2.gz AVWMLATWASGJOH-JTQLQIEISA-N -1 1 392.489 1.159 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NC[C@@H]2CCCCS2)n1 ZINC000824147195 608141797 /nfs/dbraw/zinc/14/17/97/608141797.db2.gz AVWMLATWASGJOH-JTQLQIEISA-N -1 1 392.489 1.159 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OCC[C@H]1CCCCO1 ZINC000826328703 608143451 /nfs/dbraw/zinc/14/34/51/608143451.db2.gz ZRSIDQOZWKQVNR-CQSZACIVSA-N -1 1 399.455 1.961 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OCC[C@H]1CCCCO1 ZINC000826328703 608143452 /nfs/dbraw/zinc/14/34/52/608143452.db2.gz ZRSIDQOZWKQVNR-CQSZACIVSA-N -1 1 399.455 1.961 20 0 GDADMM CC(C)OCCCC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000824309181 608146057 /nfs/dbraw/zinc/14/60/57/608146057.db2.gz IAKONXVOZXNUHD-UHFFFAOYSA-N -1 1 389.460 1.586 20 0 GDADMM O=C(CN(C[C@@H]1CCCO1)C(=O)c1ccc(-c2nnn[n-]2)s1)N1CCCC1 ZINC000826409774 608203043 /nfs/dbraw/zinc/20/30/43/608203043.db2.gz OJOCMSUVHGKSIR-LBPRGKRZSA-N -1 1 390.469 1.172 20 0 GDADMM O=C(CN(C[C@@H]1CCCO1)C(=O)c1ccc(-c2nn[n-]n2)s1)N1CCCC1 ZINC000826409774 608203045 /nfs/dbraw/zinc/20/30/45/608203045.db2.gz OJOCMSUVHGKSIR-LBPRGKRZSA-N -1 1 390.469 1.172 20 0 GDADMM C[C@H](CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1cccc(F)c1 ZINC000824385582 608210502 /nfs/dbraw/zinc/21/05/02/608210502.db2.gz XBEKZBSDOMBSJP-LLVKDONJSA-N -1 1 386.435 1.896 20 0 GDADMM C[C@H](CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1cccc(F)c1 ZINC000824385582 608210503 /nfs/dbraw/zinc/21/05/03/608210503.db2.gz XBEKZBSDOMBSJP-LLVKDONJSA-N -1 1 386.435 1.896 20 0 GDADMM COc1ccccc1[C@@H](C)CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826219237 608212343 /nfs/dbraw/zinc/21/23/43/608212343.db2.gz WJJQFPNUOOSGGL-LBPRGKRZSA-N -1 1 398.471 1.765 20 0 GDADMM COc1ccccc1[C@@H](C)CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826219237 608212344 /nfs/dbraw/zinc/21/23/44/608212344.db2.gz WJJQFPNUOOSGGL-LBPRGKRZSA-N -1 1 398.471 1.765 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@H]1CSc2ccccc21 ZINC000825923660 608212918 /nfs/dbraw/zinc/21/29/18/608212918.db2.gz QICYPQLBRKHYMY-NSHDSACASA-N -1 1 384.469 1.453 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@H]1CSc2ccccc21 ZINC000825923660 608212919 /nfs/dbraw/zinc/21/29/19/608212919.db2.gz QICYPQLBRKHYMY-NSHDSACASA-N -1 1 384.469 1.453 20 0 GDADMM CSc1cc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)ccn1 ZINC000826230464 608249830 /nfs/dbraw/zinc/24/98/30/608249830.db2.gz VLRMLWXIPZEUAI-UHFFFAOYSA-N -1 1 380.430 1.601 20 0 GDADMM NC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826392857 608277484 /nfs/dbraw/zinc/27/74/84/608277484.db2.gz PSTVCQSMUBYXFX-UHFFFAOYSA-N -1 1 399.436 1.116 20 0 GDADMM NC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826392857 608277485 /nfs/dbraw/zinc/27/74/85/608277485.db2.gz PSTVCQSMUBYXFX-UHFFFAOYSA-N -1 1 399.436 1.116 20 0 GDADMM CC(C)(C)OC(=O)CCCCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824099893 608304764 /nfs/dbraw/zinc/30/47/64/608304764.db2.gz LOCPGDCWQNVRBQ-UHFFFAOYSA-N -1 1 399.448 1.796 20 0 GDADMM CC(C)(C)OC(=O)CCCCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824099893 608304765 /nfs/dbraw/zinc/30/47/65/608304765.db2.gz LOCPGDCWQNVRBQ-UHFFFAOYSA-N -1 1 399.448 1.796 20 0 GDADMM CS[C@H](C)CCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000826225564 608314160 /nfs/dbraw/zinc/31/41/60/608314160.db2.gz FFEYCLQSQQCKEN-NWDGAFQWSA-N -1 1 376.490 1.226 20 0 GDADMM CS[C@H](C)CCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000826225564 608314162 /nfs/dbraw/zinc/31/41/62/608314162.db2.gz FFEYCLQSQQCKEN-NWDGAFQWSA-N -1 1 376.490 1.226 20 0 GDADMM CCOC(=O)C[C@H](O)CSc1nc(C)cc(C(F)(F)F)c1-c1nn[n-]n1 ZINC000825508305 608330219 /nfs/dbraw/zinc/33/02/19/608330219.db2.gz WLBLNVBSHPNFDJ-QMMMGPOBSA-N -1 1 391.375 1.995 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCc1nncn1C1CC1 ZINC000826340975 608333458 /nfs/dbraw/zinc/33/34/58/608333458.db2.gz QSWOPDMOHBFEMP-UHFFFAOYSA-N -1 1 380.368 1.842 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCc1nncn1C1CC1 ZINC000826340975 608333460 /nfs/dbraw/zinc/33/34/60/608333460.db2.gz QSWOPDMOHBFEMP-UHFFFAOYSA-N -1 1 380.368 1.842 20 0 GDADMM COCCCOCCN(C)C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000826156875 608336304 /nfs/dbraw/zinc/33/63/04/608336304.db2.gz XQBQCCPLGUVNAI-UHFFFAOYSA-N -1 1 392.460 1.028 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NC2CCCCCCC2)n1 ZINC000824147981 608338738 /nfs/dbraw/zinc/33/87/38/608338738.db2.gz KBVVFHPWDJEMQS-UHFFFAOYSA-N -1 1 388.476 1.986 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NC2CCCCCCC2)n1 ZINC000824147981 608338740 /nfs/dbraw/zinc/33/87/40/608338740.db2.gz KBVVFHPWDJEMQS-UHFFFAOYSA-N -1 1 388.476 1.986 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCc2ccc(Cl)o2)n1 ZINC000824148146 608340223 /nfs/dbraw/zinc/34/02/23/608340223.db2.gz NGYNXVQMBNFOAO-UHFFFAOYSA-N -1 1 392.807 1.320 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCc2ccc(Cl)o2)n1 ZINC000824148146 608340225 /nfs/dbraw/zinc/34/02/25/608340225.db2.gz NGYNXVQMBNFOAO-UHFFFAOYSA-N -1 1 392.807 1.320 20 0 GDADMM Cc1ccc([C@H](C)NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)o1 ZINC000826283088 608340657 /nfs/dbraw/zinc/34/06/57/608340657.db2.gz KDCOJSMXTYKOFA-JTQLQIEISA-N -1 1 386.416 1.536 20 0 GDADMM Cc1ccc([C@H](C)NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)o1 ZINC000826283088 608340658 /nfs/dbraw/zinc/34/06/58/608340658.db2.gz KDCOJSMXTYKOFA-JTQLQIEISA-N -1 1 386.416 1.536 20 0 GDADMM Cc1cccc(CCNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)c1 ZINC000826297913 608352333 /nfs/dbraw/zinc/35/23/33/608352333.db2.gz WRDJAGOUCWUNQF-UHFFFAOYSA-N -1 1 396.455 1.424 20 0 GDADMM Cc1cccc(CCNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)c1 ZINC000826297913 608352335 /nfs/dbraw/zinc/35/23/35/608352335.db2.gz WRDJAGOUCWUNQF-UHFFFAOYSA-N -1 1 396.455 1.424 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NC/C=C/c2ccccc2)n1 ZINC000824147434 608352688 /nfs/dbraw/zinc/35/26/88/608352688.db2.gz CRHRCLXVTTVOKD-JXMROGBWSA-N -1 1 394.439 1.586 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NC/C=C/c2ccccc2)n1 ZINC000824147434 608352689 /nfs/dbraw/zinc/35/26/89/608352689.db2.gz CRHRCLXVTTVOKD-JXMROGBWSA-N -1 1 394.439 1.586 20 0 GDADMM CCCCN(CCOC)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825285240 608353411 /nfs/dbraw/zinc/35/34/11/608353411.db2.gz NPBYBGLFTQKRKP-UHFFFAOYSA-N -1 1 392.464 1.032 20 0 GDADMM CCCCN(CCOC)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825285240 608353413 /nfs/dbraw/zinc/35/34/13/608353413.db2.gz NPBYBGLFTQKRKP-UHFFFAOYSA-N -1 1 392.464 1.032 20 0 GDADMM CCc1ccccc1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825721781 608355334 /nfs/dbraw/zinc/35/53/34/608355334.db2.gz AVLCHFBFKREMNR-UHFFFAOYSA-N -1 1 396.455 1.636 20 0 GDADMM CCc1ccccc1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825721781 608355335 /nfs/dbraw/zinc/35/53/35/608355335.db2.gz AVLCHFBFKREMNR-UHFFFAOYSA-N -1 1 396.455 1.636 20 0 GDADMM O[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)c1cc(Cl)c2c(c1)OCCO2 ZINC000826502597 608422155 /nfs/dbraw/zinc/42/21/55/608422155.db2.gz GULKUIAXHKZQJJ-NSHDSACASA-N -1 1 375.776 1.227 20 0 GDADMM O[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)c1cc(Cl)c2c(c1)OCCO2 ZINC000826502597 608422157 /nfs/dbraw/zinc/42/21/57/608422157.db2.gz GULKUIAXHKZQJJ-NSHDSACASA-N -1 1 375.776 1.227 20 0 GDADMM O=C(c1cc2occc2s1)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826471314 608423299 /nfs/dbraw/zinc/42/32/99/608423299.db2.gz VHLJNWTWDVLOBS-UHFFFAOYSA-N -1 1 382.409 1.427 20 0 GDADMM O=C(c1cc2occc2s1)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826471314 608423301 /nfs/dbraw/zinc/42/33/01/608423301.db2.gz VHLJNWTWDVLOBS-UHFFFAOYSA-N -1 1 382.409 1.427 20 0 GDADMM COc1cc(NC2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)cc(OC)c1 ZINC000826180521 608428814 /nfs/dbraw/zinc/42/88/14/608428814.db2.gz LCDODWRNRSDIBN-UHFFFAOYSA-N -1 1 382.428 1.755 20 0 GDADMM COc1cc(NC2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)cc(OC)c1 ZINC000826180521 608428816 /nfs/dbraw/zinc/42/88/16/608428816.db2.gz LCDODWRNRSDIBN-UHFFFAOYSA-N -1 1 382.428 1.755 20 0 GDADMM CS(=O)(=O)[N-]c1ccsc1C(=O)OCc1cccc(-c2nn[nH]n2)c1F ZINC000826224077 608443159 /nfs/dbraw/zinc/44/31/59/608443159.db2.gz NGKVKNCQRWVFBQ-UHFFFAOYSA-N -1 1 397.413 1.796 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)N[C@H](CO)CC(C)C)c1-c1nn[n-]n1 ZINC000826231606 608472583 /nfs/dbraw/zinc/47/25/83/608472583.db2.gz RHZYGXSSOFRBKR-NSHDSACASA-N -1 1 376.486 1.998 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N(C)CC1CCOCC1 ZINC000826327729 608475759 /nfs/dbraw/zinc/47/57/59/608475759.db2.gz SDGFBBRTKBKJTO-UHFFFAOYSA-N -1 1 398.471 1.344 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N(C)CC1CCOCC1 ZINC000826327729 608475760 /nfs/dbraw/zinc/47/57/60/608475760.db2.gz SDGFBBRTKBKJTO-UHFFFAOYSA-N -1 1 398.471 1.344 20 0 GDADMM CSc1cccc(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)c1C ZINC000826231033 608517988 /nfs/dbraw/zinc/51/79/88/608517988.db2.gz UJPBELDGZNNACA-UHFFFAOYSA-N -1 1 387.473 1.957 20 0 GDADMM CSc1cccc(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)c1C ZINC000826231033 608517989 /nfs/dbraw/zinc/51/79/89/608517989.db2.gz UJPBELDGZNNACA-UHFFFAOYSA-N -1 1 387.473 1.957 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cccc(Cl)c1F ZINC000825933422 608556946 /nfs/dbraw/zinc/55/69/46/608556946.db2.gz DHPRZRLUVQPAFG-UHFFFAOYSA-N -1 1 378.799 1.669 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cccc(Cl)c1F ZINC000825933422 608556948 /nfs/dbraw/zinc/55/69/48/608556948.db2.gz DHPRZRLUVQPAFG-UHFFFAOYSA-N -1 1 378.799 1.669 20 0 GDADMM O=S(=O)(c1ccccc1)N1CCCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000826496318 608626506 /nfs/dbraw/zinc/62/65/06/608626506.db2.gz SCTACCNTCKJTSE-UHFFFAOYSA-N -1 1 388.453 1.356 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@@]1(C)CCCO ZINC000826233187 608863724 /nfs/dbraw/zinc/86/37/24/608863724.db2.gz WZIGLCXRCIHNDF-IBGZPJMESA-N -1 1 388.472 1.670 20 0 GDADMM CC(C)n1cc2c(n1)[C@H](NS(=O)(=O)c1ccc(-c3nnn[n-]3)nc1)CCC2 ZINC000824371665 609158080 /nfs/dbraw/zinc/15/80/80/609158080.db2.gz NQTJVYOHVQZJDJ-CYBMUJFWSA-N -1 1 388.457 1.395 20 0 GDADMM CC(C)n1cc2c(n1)[C@H](NS(=O)(=O)c1ccc(-c3nn[n-]n3)nc1)CCC2 ZINC000824371665 609158081 /nfs/dbraw/zinc/15/80/81/609158081.db2.gz NQTJVYOHVQZJDJ-CYBMUJFWSA-N -1 1 388.457 1.395 20 0 GDADMM CC(C)C[C@H]1C[C@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC000824242684 609181405 /nfs/dbraw/zinc/18/14/05/609181405.db2.gz AIODJUGCIHXBES-NEPJUHHUSA-N -1 1 383.449 1.878 20 0 GDADMM CC(C)C[C@H]1C[C@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC000824242684 609181407 /nfs/dbraw/zinc/18/14/07/609181407.db2.gz AIODJUGCIHXBES-NEPJUHHUSA-N -1 1 383.449 1.878 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1cc(F)ccc1[O-] ZINC000826430686 609266090 /nfs/dbraw/zinc/26/60/90/609266090.db2.gz IWPDTIQKMYAOLB-OAHLLOKOSA-N -1 1 396.382 1.637 20 0 GDADMM O=C1[C@@H]2COCCN2C(=O)N1Cc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000826478013 609277310 /nfs/dbraw/zinc/27/73/10/609277310.db2.gz ROJOOSXSCAMJFA-ZDUSSCGKSA-N -1 1 396.432 1.758 20 0 GDADMM CC1CCN(C(=O)CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CC1 ZINC000824945356 609278752 /nfs/dbraw/zinc/27/87/52/609278752.db2.gz BXFQKMAXTGRARE-UHFFFAOYSA-N -1 1 384.419 1.862 20 0 GDADMM C[C@@H]1CN(CC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)C[C@H](C)O1 ZINC000826232503 609281793 /nfs/dbraw/zinc/28/17/93/609281793.db2.gz RNUDPQXVYGIURZ-BETUJISGSA-N -1 1 382.428 1.100 20 0 GDADMM C[C@@H]1CN(CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)C[C@H](C)O1 ZINC000826232503 609281795 /nfs/dbraw/zinc/28/17/95/609281795.db2.gz RNUDPQXVYGIURZ-BETUJISGSA-N -1 1 382.428 1.100 20 0 GDADMM C[C@H](Oc1cccnc1)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824753060 609288324 /nfs/dbraw/zinc/28/83/24/609288324.db2.gz BOBBMVHKYQVVQE-NSHDSACASA-N -1 1 394.370 1.993 20 0 GDADMM Cn1cccc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)c1=O ZINC000826363440 609291318 /nfs/dbraw/zinc/29/13/18/609291318.db2.gz MNHGOPIDNJQATJ-UHFFFAOYSA-N -1 1 380.343 1.143 20 0 GDADMM Cc1ccc([C@H](C)NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)s1 ZINC000826283615 609300779 /nfs/dbraw/zinc/30/07/79/609300779.db2.gz WCYNLDVPSADZJC-JTQLQIEISA-N -1 1 389.489 1.877 20 0 GDADMM Cc1ccc([C@H](C)NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)s1 ZINC000826283615 609300781 /nfs/dbraw/zinc/30/07/81/609300781.db2.gz WCYNLDVPSADZJC-JTQLQIEISA-N -1 1 389.489 1.877 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000825930335 609303961 /nfs/dbraw/zinc/30/39/61/609303961.db2.gz SYTGKJOIWPLLQF-RWMBFGLXSA-N -1 1 387.492 1.715 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000825930335 609303963 /nfs/dbraw/zinc/30/39/63/609303963.db2.gz SYTGKJOIWPLLQF-RWMBFGLXSA-N -1 1 387.492 1.715 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@H](c3ccc(F)cc3)CC2)n(C)c1=O ZINC000826355766 609326394 /nfs/dbraw/zinc/32/63/94/609326394.db2.gz MOQCQXZUIMQOCO-LBPRGKRZSA-N -1 1 399.430 1.177 20 0 GDADMM O=S(=O)(N[C@@H]1CCCOc2c(F)cccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000826488821 609334804 /nfs/dbraw/zinc/33/48/04/609334804.db2.gz ZSKFQEOWDBCXEQ-CYBMUJFWSA-N -1 1 390.400 1.593 20 0 GDADMM O=S(=O)(N[C@@H]1CCCOc2c(F)cccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000826488821 609334806 /nfs/dbraw/zinc/33/48/06/609334806.db2.gz ZSKFQEOWDBCXEQ-CYBMUJFWSA-N -1 1 390.400 1.593 20 0 GDADMM CC[C@H]1CN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CCO1 ZINC000825204021 609355514 /nfs/dbraw/zinc/35/55/14/609355514.db2.gz PEYBKBXHQZFZIB-NSHDSACASA-N -1 1 386.391 1.834 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N1CCOC2(CCC2)C1 ZINC000826458129 609356926 /nfs/dbraw/zinc/35/69/26/609356926.db2.gz DOINHHFSGZAMAP-UHFFFAOYSA-N -1 1 398.402 1.978 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N1CC[C@]2(CCOC2)C1 ZINC000826458186 609360181 /nfs/dbraw/zinc/36/01/81/609360181.db2.gz GXIXQZZPNNNRBT-SFHVURJKSA-N -1 1 398.402 1.836 20 0 GDADMM C[C@@H](Cn1cccn1)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824464219 609362318 /nfs/dbraw/zinc/36/23/18/609362318.db2.gz GDARDVIFEYVHDU-NSHDSACASA-N -1 1 396.390 1.598 20 0 GDADMM CC(C)(CCO)CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824152804 609362460 /nfs/dbraw/zinc/36/24/60/609362460.db2.gz NWDCKECZWQXUTJ-UHFFFAOYSA-N -1 1 388.407 1.722 20 0 GDADMM C[C@@H](NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)[C@H]1CCCO1 ZINC000824507061 609362511 /nfs/dbraw/zinc/36/25/11/609362511.db2.gz SMMAYNNCCSHLDW-ZWNOBZJWSA-N -1 1 386.391 1.881 20 0 GDADMM CC(C)N(C[C@@H](C)O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824699017 609362553 /nfs/dbraw/zinc/36/25/53/609362553.db2.gz PFDYMLSSFIHOQB-LLVKDONJSA-N -1 1 388.407 1.815 20 0 GDADMM CC[C@@H]1C[C@@H](CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CCO1 ZINC000825183258 609416977 /nfs/dbraw/zinc/41/69/77/609416977.db2.gz OAVYUQHWUKALEA-NWDGAFQWSA-N -1 1 376.465 1.158 20 0 GDADMM CC[C@@H]1C[C@@H](CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CCO1 ZINC000825183258 609416979 /nfs/dbraw/zinc/41/69/79/609416979.db2.gz OAVYUQHWUKALEA-NWDGAFQWSA-N -1 1 376.465 1.158 20 0 GDADMM CC[C@H]1C[C@H](CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CCO1 ZINC000825183257 609416983 /nfs/dbraw/zinc/41/69/83/609416983.db2.gz OAVYUQHWUKALEA-NEPJUHHUSA-N -1 1 376.465 1.158 20 0 GDADMM CC[C@H]1C[C@H](CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CCO1 ZINC000825183257 609416985 /nfs/dbraw/zinc/41/69/85/609416985.db2.gz OAVYUQHWUKALEA-NEPJUHHUSA-N -1 1 376.465 1.158 20 0 GDADMM COC(=O)[C@H](C1CC1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000826104250 609420913 /nfs/dbraw/zinc/42/09/13/609420913.db2.gz SPUNOYJRBYVWCJ-AWEZNQCLSA-N -1 1 399.411 1.188 20 0 GDADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1cccc(-c2nn[nH]n2)c1 ZINC000826256050 609448396 /nfs/dbraw/zinc/44/83/96/609448396.db2.gz STOIMPNXFOSQIS-UHFFFAOYSA-N -1 1 383.397 1.156 20 0 GDADMM Cc1ccc(-n2cnnn2)cc1[N-]S(=O)(=O)c1cc(-c2nn[nH]n2)ccc1C ZINC000826280843 609450658 /nfs/dbraw/zinc/45/06/58/609450658.db2.gz SBGNDNPXOSRJLF-UHFFFAOYSA-N -1 1 397.424 1.260 20 0 GDADMM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000824505824 609456069 /nfs/dbraw/zinc/45/60/69/609456069.db2.gz HZVAAMAUZOCCKL-DGCLKSJQSA-N -1 1 387.444 1.637 20 0 GDADMM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000824505824 609456070 /nfs/dbraw/zinc/45/60/70/609456070.db2.gz HZVAAMAUZOCCKL-DGCLKSJQSA-N -1 1 387.444 1.637 20 0 GDADMM NC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)c1 ZINC000826393376 609530932 /nfs/dbraw/zinc/53/09/32/609530932.db2.gz PMQRSFOERLDFNK-UHFFFAOYSA-N -1 1 396.791 1.559 20 0 GDADMM O=C1[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CCCN1Cc1ccccn1 ZINC000826478078 609593823 /nfs/dbraw/zinc/59/38/23/609593823.db2.gz TZYXDUQLQFLKLL-CYBMUJFWSA-N -1 1 384.831 1.913 20 0 GDADMM O=C1[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CCCN1Cc1ccccn1 ZINC000826478078 609593824 /nfs/dbraw/zinc/59/38/24/609593824.db2.gz TZYXDUQLQFLKLL-CYBMUJFWSA-N -1 1 384.831 1.913 20 0 GDADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@@H](O)C(C)C)c(OC)c1 ZINC000534137855 650218858 /nfs/dbraw/zinc/21/88/58/650218858.db2.gz KSKRVOTYDJJVIM-CYBMUJFWSA-N -1 1 394.515 1.142 20 0 GDADMM COc1ccc(NC(=O)N[C@@H](CO)CC(F)(F)F)cc1[N-]S(C)(=O)=O ZINC000536058217 650264095 /nfs/dbraw/zinc/26/40/95/650264095.db2.gz VDJHFDXABCKXCR-SECBINFHSA-N -1 1 385.364 1.502 20 0 GDADMM O=C1NC(=O)[C@H](Cc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2)N1 ZINC000536702832 650278447 /nfs/dbraw/zinc/27/84/47/650278447.db2.gz MHNLWLKEOLJOOL-AWEZNQCLSA-N -1 1 379.825 1.891 20 0 GDADMM CN(C)C(=O)c1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cn1C ZINC000538139479 650307123 /nfs/dbraw/zinc/30/71/23/650307123.db2.gz QQNQMYNLCUMRAB-UHFFFAOYSA-N -1 1 385.829 1.879 20 0 GDADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCCS2(=O)=O)o1 ZINC000543157419 650419291 /nfs/dbraw/zinc/41/92/91/650419291.db2.gz HDBQMMHMQONGLX-NSHDSACASA-N -1 1 392.499 1.054 20 0 GDADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCCS2(=O)=O)o1 ZINC000543157418 650419355 /nfs/dbraw/zinc/41/93/55/650419355.db2.gz HDBQMMHMQONGLX-LLVKDONJSA-N -1 1 392.499 1.054 20 0 GDADMM CN1CCO[C@H]2CN(C(=O)c3ccc(I)c([O-])c3)C[C@@H]21 ZINC000544830147 650446202 /nfs/dbraw/zinc/44/62/02/650446202.db2.gz YQMQEXUBOTVEIY-AAEUAGOBSA-N -1 1 388.205 1.152 20 0 GDADMM C[C@@H](CNC(=O)c1cc(=O)n2[n-]cnc2n1)Oc1cccc(Br)c1 ZINC000546083232 650470300 /nfs/dbraw/zinc/47/03/00/650470300.db2.gz ABYJWXBECIUTJI-VIFPVBQESA-N -1 1 392.213 1.377 20 0 GDADMM O=C([O-])[C@H](Cc1cnc[nH]1)NS(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000547547884 650500248 /nfs/dbraw/zinc/50/02/48/650500248.db2.gz DXQLHNMIBIDJIC-LBPRGKRZSA-N -1 1 378.237 1.832 20 0 GDADMM CC[C@H]([N-]S(=O)(=O)c1c(Br)ccc(OC)c1F)C(=O)NC ZINC000916173153 660188113 /nfs/dbraw/zinc/18/81/13/660188113.db2.gz UGAGRQJPTUODJD-QMMMGPOBSA-N -1 1 383.239 1.400 20 0 GDADMM Cc1cn2c(n1)[C@@H](C[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)CCC2 ZINC000549398928 650576081 /nfs/dbraw/zinc/57/60/81/650576081.db2.gz FCHHGOLPKFNODL-SNVBAGLBSA-N -1 1 377.392 1.800 20 0 GDADMM CC(C)[C@@H]1CN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CCCO1 ZINC000550081904 650588414 /nfs/dbraw/zinc/58/84/14/650588414.db2.gz YPWBXCAQABRTNA-AWEZNQCLSA-N -1 1 394.490 1.633 20 0 GDADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]Cc1nc(-c2cccs2)c[nH]1 ZINC000551204741 650601160 /nfs/dbraw/zinc/60/11/60/650601160.db2.gz AKIWXUSWFNXKJG-UHFFFAOYSA-N -1 1 381.439 1.517 20 0 GDADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C(C)(C)C(=O)N(C)C ZINC000552073787 650618834 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ZINC001601565674 971017169 /nfs/dbraw/zinc/01/71/69/971017169.db2.gz KLBOUBYTXMHQLV-INIZCTEOSA-N -1 1 390.484 1.921 20 0 GDADMM Cc1nsc(N2C[C@@H]3C[C@H]2CN3C(=O)c2ccccc2F)c1-c1nn[n-]n1 ZINC001571259326 945382473 /nfs/dbraw/zinc/38/24/73/945382473.db2.gz KZUSVWZOKQKPRA-QWRGUYRKSA-N -1 1 385.428 1.874 20 0 GDADMM CC(C)c1ncsc1C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571262033 945432627 /nfs/dbraw/zinc/43/26/27/945432627.db2.gz MPYGTQJMENKVGD-SNVBAGLBSA-N -1 1 385.457 1.563 20 0 GDADMM CC(C)c1ncsc1C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571262033 945432638 /nfs/dbraw/zinc/43/26/38/945432638.db2.gz MPYGTQJMENKVGD-SNVBAGLBSA-N -1 1 385.457 1.563 20 0 GDADMM CCc1ncc(C(=O)N2CCC[C@H]2CNc2nccnc2-c2nnn[n-]2)s1 ZINC001571262362 945437244 /nfs/dbraw/zinc/43/72/44/945437244.db2.gz QBCKAKQGQRYRLB-JTQLQIEISA-N -1 1 385.457 1.392 20 0 GDADMM CCc1ncc(C(=O)N2CCC[C@H]2CNc2nccnc2-c2nn[n-]n2)s1 ZINC001571262362 945437246 /nfs/dbraw/zinc/43/72/46/945437246.db2.gz QBCKAKQGQRYRLB-JTQLQIEISA-N -1 1 385.457 1.392 20 0 GDADMM CN(C(=O)c1cnoc1C1CC1)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571262398 945437523 /nfs/dbraw/zinc/43/75/23/945437523.db2.gz RSIBKBWBZVQPJU-UHFFFAOYSA-N -1 1 385.453 1.750 20 0 GDADMM Cc1ncc(C(=O)NC[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)s1 ZINC001571262929 945445924 /nfs/dbraw/zinc/44/59/24/945445924.db2.gz CNHOZZUTFSJXKS-NSHDSACASA-N -1 1 385.457 1.068 20 0 GDADMM Cc1ncc(C(=O)NC[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)s1 ZINC001571262929 945445930 /nfs/dbraw/zinc/44/59/30/945445930.db2.gz CNHOZZUTFSJXKS-NSHDSACASA-N -1 1 385.457 1.068 20 0 GDADMM Cc1nc(C)c(C(=O)N(C)[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)s1 ZINC001571262912 945446095 /nfs/dbraw/zinc/44/60/95/945446095.db2.gz BVWOITOMLFWXNK-NSHDSACASA-N -1 1 385.457 1.081 20 0 GDADMM Cc1nc(C)c(C(=O)N(C)[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)s1 ZINC001571262912 945446097 /nfs/dbraw/zinc/44/60/97/945446097.db2.gz BVWOITOMLFWXNK-NSHDSACASA-N -1 1 385.457 1.081 20 0 GDADMM Cc1cc(C(=O)N2CC[C@](C)(CNc3cnc(-c4nnn[n-]4)cn3)C2)ns1 ZINC001571263487 945459966 /nfs/dbraw/zinc/45/99/66/945459966.db2.gz RHYDWIWTTRXCEG-MRXNPFEDSA-N -1 1 385.457 1.386 20 0 GDADMM Cc1cc(C(=O)N2CC[C@](C)(CNc3cnc(-c4nn[n-]n4)cn3)C2)ns1 ZINC001571263487 945459971 /nfs/dbraw/zinc/45/99/71/945459971.db2.gz RHYDWIWTTRXCEG-MRXNPFEDSA-N -1 1 385.457 1.386 20 0 GDADMM Cc1cc(F)c(C(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cc1F ZINC001571267001 945559336 /nfs/dbraw/zinc/55/93/36/945559336.db2.gz FXINJXRSNLZKDX-AOOOYVTPSA-N -1 1 386.366 1.038 20 0 GDADMM CC(=O)NCc1ccc(CNC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)cc1 ZINC001571267601 945575361 /nfs/dbraw/zinc/57/53/61/945575361.db2.gz ZNLBBUPPGSSVCZ-UHFFFAOYSA-N -1 1 386.362 1.711 20 0 GDADMM CC(=O)NCc1ccc(CNC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)cc1 ZINC001571267601 945575363 /nfs/dbraw/zinc/57/53/63/945575363.db2.gz ZNLBBUPPGSSVCZ-UHFFFAOYSA-N -1 1 386.362 1.711 20 0 GDADMM C[C@@H]1CN(C(=O)COc2ccsc2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571269835 945625379 /nfs/dbraw/zinc/62/53/79/945625379.db2.gz DRZXQRCMRVZZHN-ZWNOBZJWSA-N -1 1 386.441 1.056 20 0 GDADMM C[C@@H]1CN(C(=O)COc2ccsc2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571269835 945625386 /nfs/dbraw/zinc/62/53/86/945625386.db2.gz DRZXQRCMRVZZHN-ZWNOBZJWSA-N -1 1 386.441 1.056 20 0 GDADMM COc1cccc(C(=O)N2CC[C@@H](Nc3snc(C)c3-c3nn[n-]n3)C2)n1 ZINC001571270002 945629626 /nfs/dbraw/zinc/62/96/26/945629626.db2.gz JYBXZPXODUPDQZ-SNVBAGLBSA-N -1 1 386.441 1.362 20 0 GDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H]1CN(C(=O)c2ccsc2)CCO1 ZINC001571270222 945633673 /nfs/dbraw/zinc/63/36/73/945633673.db2.gz NUIHTUNXASQDTQ-ZWNOBZJWSA-N -1 1 386.441 1.060 20 0 GDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H]1CN(C(=O)c2ccsc2)CCO1 ZINC001571270222 945633684 /nfs/dbraw/zinc/63/36/84/945633684.db2.gz NUIHTUNXASQDTQ-ZWNOBZJWSA-N -1 1 386.441 1.060 20 0 GDADMM COc1ccsc1C(=O)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571270567 945638323 /nfs/dbraw/zinc/63/83/23/945638323.db2.gz VIHHSCSXJGDJSM-JTQLQIEISA-N -1 1 386.441 1.444 20 0 GDADMM COc1ccsc1C(=O)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571270567 945638326 /nfs/dbraw/zinc/63/83/26/945638326.db2.gz VIHHSCSXJGDJSM-JTQLQIEISA-N -1 1 386.441 1.444 20 0 GDADMM Cc1nsc(N2CCC[C@H](NC(=O)c3ccn(C)c3C)C2)c1-c1nn[n-]n1 ZINC001571271712 945648287 /nfs/dbraw/zinc/64/82/87/945648287.db2.gz HYWMZFJVBLFPNM-LBPRGKRZSA-N -1 1 386.485 1.677 20 0 GDADMM O=C([C@H]1CCCOC1)N1CCCC[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001571272687 945669352 /nfs/dbraw/zinc/66/93/52/945669352.db2.gz HQBYEJPHJARCCW-KBPBESRZSA-N -1 1 386.460 1.266 20 0 GDADMM O=C([C@H]1CCCOC1)N1CCCC[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001571272687 945669354 /nfs/dbraw/zinc/66/93/54/945669354.db2.gz HQBYEJPHJARCCW-KBPBESRZSA-N -1 1 386.460 1.266 20 0 GDADMM CC1(C)CN(C(=O)[C@]2(C)CCCOC2)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571275867 945717890 /nfs/dbraw/zinc/71/78/90/945717890.db2.gz DKZPRBZBQRFYIG-SCLBCKFNSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CN(C(=O)[C@]2(C)CCCOC2)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571275867 945717908 /nfs/dbraw/zinc/71/79/08/945717908.db2.gz DKZPRBZBQRFYIG-SCLBCKFNSA-N -1 1 386.460 1.122 20 0 GDADMM CC[C@@H](OC1CCCC1)C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571275894 945719155 /nfs/dbraw/zinc/71/91/55/945719155.db2.gz FBXLYBQHJVPJLY-TZMCWYRMSA-N -1 1 386.460 1.407 20 0 GDADMM CC[C@@H](OC1CCCC1)C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571275894 945719161 /nfs/dbraw/zinc/71/91/61/945719161.db2.gz FBXLYBQHJVPJLY-TZMCWYRMSA-N -1 1 386.460 1.407 20 0 GDADMM C[C@@H]1CC[C@H](CCC(=O)N2CCCN(c3ccc(-c4nnn[n-]4)nn3)CC2)O1 ZINC001571279669 945784361 /nfs/dbraw/zinc/78/43/61/945784361.db2.gz XULWVCMXVRVTDC-ZIAGYGMSSA-N -1 1 386.460 1.043 20 0 GDADMM C[C@@H]1CC[C@H](CCC(=O)N2CCCN(c3ccc(-c4nn[n-]n4)nn3)CC2)O1 ZINC001571279669 945784368 /nfs/dbraw/zinc/78/43/68/945784368.db2.gz XULWVCMXVRVTDC-ZIAGYGMSSA-N -1 1 386.460 1.043 20 0 GDADMM C[C@@]1(CNc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)COC2CCCC2)C1 ZINC001571279621 945785139 /nfs/dbraw/zinc/78/51/39/945785139.db2.gz WWYZOCFFSBLOPF-SFHVURJKSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@@]1(CNc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)COC2CCCC2)C1 ZINC001571279621 945785146 /nfs/dbraw/zinc/78/51/46/945785146.db2.gz WWYZOCFFSBLOPF-SFHVURJKSA-N -1 1 386.460 1.266 20 0 GDADMM CCc1nc(C(=O)N(C)C2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)c(C)o1 ZINC001571282037 945825187 /nfs/dbraw/zinc/82/51/87/945825187.db2.gz RGTWHSWTKGHIHJ-UHFFFAOYSA-N -1 1 387.469 1.743 20 0 GDADMM CCCc1n[nH]cc1C(=O)N1CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001571282250 945835160 /nfs/dbraw/zinc/83/51/60/945835160.db2.gz WCOAABPHKTWZRI-UHFFFAOYSA-N -1 1 387.473 1.270 20 0 GDADMM CC(=O)NC(=Cc1ccccc1)C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001573453985 945867731 /nfs/dbraw/zinc/86/77/31/945867731.db2.gz SKKQYBDDPBLZAQ-LCYFTJDESA-N -1 1 378.396 1.583 20 0 GDADMM C[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)s1)c1nc(C(F)(F)F)no1 ZINC001571285992 945932787 /nfs/dbraw/zinc/93/27/87/945932787.db2.gz UGNZJIIHENJVMP-RXMQYKEDSA-N -1 1 388.335 1.890 20 0 GDADMM O=C(NC[C@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1)c1cc(Cl)c[nH]1 ZINC001571286172 945939871 /nfs/dbraw/zinc/93/98/71/945939871.db2.gz ZZCADFKMSYONSL-LLVKDONJSA-N -1 1 387.835 1.427 20 0 GDADMM O=C(NC[C@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1)c1cc(Cl)c[nH]1 ZINC001571286172 945939876 /nfs/dbraw/zinc/93/98/76/945939876.db2.gz ZZCADFKMSYONSL-LLVKDONJSA-N -1 1 387.835 1.427 20 0 GDADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1cccc(-n2ccnn2)c1 ZINC000822153066 945966847 /nfs/dbraw/zinc/96/68/47/945966847.db2.gz KTVSKGBGLUUGQG-UHFFFAOYSA-N -1 1 382.409 1.557 20 0 GDADMM Cc1nsc(NC[C@H]2CCC[C@@H]2NC(=O)c2ncoc2C)c1-c1nn[n-]n1 ZINC001571289571 946009424 /nfs/dbraw/zinc/00/94/24/946009424.db2.gz HWEJPDQCLSOWHV-MNOVXSKESA-N -1 1 388.457 1.939 20 0 GDADMM O=C([C@@H](F)CC1CCCCC1)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571289815 946020704 /nfs/dbraw/zinc/02/07/04/946020704.db2.gz NBAJDGJNUJBPBD-AWEZNQCLSA-N -1 1 388.451 1.614 20 0 GDADMM O=C([C@@H](F)CC1CCCCC1)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571289815 946020719 /nfs/dbraw/zinc/02/07/19/946020719.db2.gz NBAJDGJNUJBPBD-AWEZNQCLSA-N -1 1 388.451 1.614 20 0 GDADMM Cc1ccc(CN2C[C@@H](C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])CC2=O)cc1 ZINC000822237154 946022676 /nfs/dbraw/zinc/02/26/76/946022676.db2.gz HPJNVDQAPIRPGH-HNNXBMFYSA-N -1 1 392.419 1.868 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1CNC(=O)C1CCC(F)CC1 ZINC001571290035 946027238 /nfs/dbraw/zinc/02/72/38/946027238.db2.gz SZVOZWOADFJSAW-NELGMTEASA-N -1 1 388.451 1.374 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1CNC(=O)C1CCC(F)CC1 ZINC001571290035 946027251 /nfs/dbraw/zinc/02/72/51/946027251.db2.gz SZVOZWOADFJSAW-NELGMTEASA-N -1 1 388.451 1.374 20 0 GDADMM Cc1ccc(N2CCC[C@H](OC(=O)c3ccc(-c4nnn[n-]4)nc3)C2=O)cc1 ZINC000822242487 946031248 /nfs/dbraw/zinc/03/12/48/946031248.db2.gz MPUPAFICSDKGCW-INIZCTEOSA-N -1 1 378.392 1.923 20 0 GDADMM Cc1ccc(N2CCC[C@H](OC(=O)c3ccc(-c4nn[n-]n4)nc3)C2=O)cc1 ZINC000822242487 946031258 /nfs/dbraw/zinc/03/12/58/946031258.db2.gz MPUPAFICSDKGCW-INIZCTEOSA-N -1 1 378.392 1.923 20 0 GDADMM O=C(N[C@@H]1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1occc1Cl ZINC001571290371 946039255 /nfs/dbraw/zinc/03/92/55/946039255.db2.gz CJNZMDVOUMREDE-NXEZZACHSA-N -1 1 388.819 1.478 20 0 GDADMM O=C(N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccc(Cl)cc1F ZINC001571290400 946041359 /nfs/dbraw/zinc/04/13/59/946041359.db2.gz CZANORGPCFRDDR-JTQLQIEISA-N -1 1 388.794 1.458 20 0 GDADMM O=C(N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccc(Cl)c(F)c1 ZINC001571290440 946042578 /nfs/dbraw/zinc/04/25/78/946042578.db2.gz FEUSYYOPGSKUBZ-SNVBAGLBSA-N -1 1 388.794 1.458 20 0 GDADMM O=C(N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccc(Cl)c(F)c1 ZINC001571290440 946042590 /nfs/dbraw/zinc/04/25/90/946042590.db2.gz FEUSYYOPGSKUBZ-SNVBAGLBSA-N -1 1 388.794 1.458 20 0 GDADMM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1CNC(=O)c1occc1Cl ZINC001571290463 946044509 /nfs/dbraw/zinc/04/45/09/946044509.db2.gz FUHVSXBUVGNULX-NXEZZACHSA-N -1 1 388.819 1.405 20 0 GDADMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1CNC(=O)c1occc1Cl ZINC001571290463 946044523 /nfs/dbraw/zinc/04/45/23/946044523.db2.gz FUHVSXBUVGNULX-NXEZZACHSA-N -1 1 388.819 1.405 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1ccc(Cl)o1 ZINC001571290487 946046042 /nfs/dbraw/zinc/04/60/42/946046042.db2.gz GMSPHUDPEQHIKE-UWVGGRQHSA-N -1 1 388.819 1.336 20 0 GDADMM C[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(Cl)o1 ZINC001571290676 946051284 /nfs/dbraw/zinc/05/12/84/946051284.db2.gz LPNWYSWBZLNWKK-UWVGGRQHSA-N -1 1 388.819 1.430 20 0 GDADMM C[C@@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(Cl)o1 ZINC001571290675 946052046 /nfs/dbraw/zinc/05/20/46/946052046.db2.gz LPNWYSWBZLNWKK-NXEZZACHSA-N -1 1 388.819 1.430 20 0 GDADMM O=C(N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cc(F)ccc1Cl ZINC001571290868 946059108 /nfs/dbraw/zinc/05/91/08/946059108.db2.gz RKBOQKKNDLJNMY-SNVBAGLBSA-N -1 1 388.794 1.458 20 0 GDADMM Cc1nsc(NC[C@@H]2CN(C(=O)c3cnon3)CC[C@@H]2C)c1-c1nn[n-]n1 ZINC001571293510 946108112 /nfs/dbraw/zinc/10/81/12/946108112.db2.gz KBHOCOKFEGVZRF-WCBMZHEXSA-N -1 1 389.445 1.225 20 0 GDADMM Cc1oc(NC(=O)COC(=O)c2ccncc2Cl)c(-c2nn[n-]n2)c1C ZINC000822548292 946121057 /nfs/dbraw/zinc/12/10/57/946121057.db2.gz HIPWALNLNRSHLT-UHFFFAOYSA-N -1 1 376.760 1.920 20 0 GDADMM O=C(N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1)C1(C(F)F)CCCC1 ZINC001571294430 946133471 /nfs/dbraw/zinc/13/34/71/946133471.db2.gz FYJKPOUCXRFFIJ-QWRGUYRKSA-N -1 1 390.398 1.272 20 0 GDADMM O=C(N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1)C1(C(F)F)CCCC1 ZINC001571294430 946133473 /nfs/dbraw/zinc/13/34/73/946133473.db2.gz FYJKPOUCXRFFIJ-QWRGUYRKSA-N -1 1 390.398 1.272 20 0 GDADMM CN(C(=O)[C@@H]1CC1(F)F)[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571294979 946151079 /nfs/dbraw/zinc/15/10/79/946151079.db2.gz RJUMSJMNELGPHN-RQJHMYQMSA-N -1 1 389.819 1.669 20 0 GDADMM O=C(N[C@H]1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C1(F)CCOCC1 ZINC001571296176 946187957 /nfs/dbraw/zinc/18/79/57/946187957.db2.gz PRIXMEQVNSSBOT-RYUDHWBXSA-N -1 1 390.423 1.015 20 0 GDADMM O=C(N[C@H]1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C1(F)CCOCC1 ZINC001571296176 946187965 /nfs/dbraw/zinc/18/79/65/946187965.db2.gz PRIXMEQVNSSBOT-RYUDHWBXSA-N -1 1 390.423 1.015 20 0 GDADMM C[C@H]1C(=O)Nc2ccccc2CN1S(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001571298376 946214387 /nfs/dbraw/zinc/21/43/87/946214387.db2.gz FVMANLHFWLYZGI-VIFPVBQESA-N -1 1 390.450 1.460 20 0 GDADMM CC[C@H](SC)C(=O)N1CCC[C@@H](CN(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571298755 946226872 /nfs/dbraw/zinc/22/68/72/946226872.db2.gz CVZQTZYVVCXGDS-STQMWFEESA-N -1 1 390.517 1.473 20 0 GDADMM O=C(c1cccc2c1CCC2)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571298893 946232930 /nfs/dbraw/zinc/23/29/30/946232930.db2.gz RLKOHCSVPNRGOY-CQSZACIVSA-N -1 1 390.451 1.862 20 0 GDADMM O=C(c1cccc2c1CCC2)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571298893 946232941 /nfs/dbraw/zinc/23/29/41/946232941.db2.gz RLKOHCSVPNRGOY-CQSZACIVSA-N -1 1 390.451 1.862 20 0 GDADMM CN(C(=O)c1cccc(C2CC2)c1)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571299236 946242231 /nfs/dbraw/zinc/24/22/31/946242231.db2.gz PMCULTYMDLXANY-MRXNPFEDSA-N -1 1 390.451 1.885 20 0 GDADMM CN(C(=O)c1cccc(C2CC2)c1)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571299236 946242246 /nfs/dbraw/zinc/24/22/46/946242246.db2.gz PMCULTYMDLXANY-MRXNPFEDSA-N -1 1 390.451 1.885 20 0 GDADMM O=C(c1sccc1Cl)N1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571299368 946247895 /nfs/dbraw/zinc/24/78/95/946247895.db2.gz LRKGVAVEMKFBNM-VIFPVBQESA-N -1 1 390.860 1.946 20 0 GDADMM O=C(c1sccc1Cl)N1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571299368 946247904 /nfs/dbraw/zinc/24/79/04/946247904.db2.gz LRKGVAVEMKFBNM-VIFPVBQESA-N -1 1 390.860 1.946 20 0 GDADMM Cc1nsc(N2CC[C@@H](NC(=O)c3cscn3)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571299602 946255498 /nfs/dbraw/zinc/25/54/98/946255498.db2.gz YJSQFCZUJRVRNS-PSASIEDQSA-N -1 1 390.498 1.875 20 0 GDADMM O=C1NCC[C@H]1CCn1c(=O)c(-c2nn[n-]n2)ccc1-c1ccc(Cl)s1 ZINC001571299897 946265141 /nfs/dbraw/zinc/26/51/41/946265141.db2.gz QHLRTXPFVNVTDA-VIFPVBQESA-N -1 1 390.856 1.937 20 0 GDADMM Cc1ccccc1C(=O)N[C@]12CCC[C@@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001571300025 946268910 /nfs/dbraw/zinc/26/89/10/946268910.db2.gz YFSMGJYNKIFMKA-JXFKEZNVSA-N -1 1 390.451 1.897 20 0 GDADMM Cc1ccccc1C(=O)N[C@]12CCC[C@@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001571300025 946268921 /nfs/dbraw/zinc/26/89/21/946268921.db2.gz YFSMGJYNKIFMKA-JXFKEZNVSA-N -1 1 390.451 1.897 20 0 GDADMM O=C(NC[C@@H]1CCCN1c1nc(-c2nn[n-]n2)c(Cl)s1)c1cccnc1 ZINC001571300213 946273821 /nfs/dbraw/zinc/27/38/21/946273821.db2.gz XBTOJAFGCZFFRB-JTQLQIEISA-N -1 1 390.860 1.770 20 0 GDADMM Cc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2cncc(-c3nnn[n-]3)n2)ccn1 ZINC001571303069 946324027 /nfs/dbraw/zinc/32/40/27/946324027.db2.gz KKHTZPFUFBDEAE-GOOCMWNKSA-N -1 1 391.439 1.290 20 0 GDADMM Cc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2cncc(-c3nn[n-]n3)n2)ccn1 ZINC001571303069 946324037 /nfs/dbraw/zinc/32/40/37/946324037.db2.gz KKHTZPFUFBDEAE-GOOCMWNKSA-N -1 1 391.439 1.290 20 0 GDADMM Cc1nc(C2CC2)ccc1C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571303520 946340496 /nfs/dbraw/zinc/34/04/96/946340496.db2.gz RZBJWARIPQXBEY-JOCQHMNTSA-N -1 1 391.439 1.610 20 0 GDADMM Cc1nc(C2CC2)ccc1C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571303520 946340506 /nfs/dbraw/zinc/34/05/06/946340506.db2.gz RZBJWARIPQXBEY-JOCQHMNTSA-N -1 1 391.439 1.610 20 0 GDADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@H]1CCN(C(=O)c2ccnc(C3CC3)c2)C1 ZINC001571303686 946345396 /nfs/dbraw/zinc/34/53/96/946345396.db2.gz PJHYLBPNQNULAS-AWEZNQCLSA-N -1 1 391.439 1.280 20 0 GDADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@H]1CCN(C(=O)c2ccnc(C3CC3)c2)C1 ZINC001571303686 946345410 /nfs/dbraw/zinc/34/54/10/946345410.db2.gz PJHYLBPNQNULAS-AWEZNQCLSA-N -1 1 391.439 1.280 20 0 GDADMM Cc1nn(C)c(F)c1C(=O)N[C@H]1C[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571303989 946355398 /nfs/dbraw/zinc/35/53/98/946355398.db2.gz UORCVVRWFUPUDV-KYZUINATSA-N -1 1 391.436 1.186 20 0 GDADMM Cc1coc(C(=O)N2C[C@@H]3C[C@H]2CN3c2snc(Cl)c2-c2nnn[n-]2)c1 ZINC001571305563 946365806 /nfs/dbraw/zinc/36/58/06/946365806.db2.gz FHJWDUCQMKAVQG-IUCAKERBSA-N -1 1 391.844 1.981 20 0 GDADMM Cc1coc(C(=O)N2C[C@@H]3C[C@H]2CN3c2snc(Cl)c2-c2nn[n-]n2)c1 ZINC001571305563 946365817 /nfs/dbraw/zinc/36/58/17/946365817.db2.gz FHJWDUCQMKAVQG-IUCAKERBSA-N -1 1 391.844 1.981 20 0 GDADMM Cc1nsc(NCC[C@@H]2CCN(C(=O)C[C@@H]3CCOC3)C2)c1-c1nn[n-]n1 ZINC001571305652 946370788 /nfs/dbraw/zinc/37/07/88/946370788.db2.gz IMWDYLXVNCFCFL-OLZOCXBDSA-N -1 1 391.501 1.709 20 0 GDADMM C[C@@H]1CN(C(=O)c2csc(Cl)n2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571305803 946374826 /nfs/dbraw/zinc/37/48/26/946374826.db2.gz KIGMSFPMBXSPGW-VXNVDRBHSA-N -1 1 391.848 1.339 20 0 GDADMM C[C@@H]1CN(C(=O)c2csc(Cl)n2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571305803 946374836 /nfs/dbraw/zinc/37/48/36/946374836.db2.gz KIGMSFPMBXSPGW-VXNVDRBHSA-N -1 1 391.848 1.339 20 0 GDADMM C[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CN1C(=O)c1scnc1Cl ZINC001571305840 946378965 /nfs/dbraw/zinc/37/89/65/946378965.db2.gz LMBMLMVNCYGUCA-YUMQZZPRSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CN1C(=O)c1scnc1Cl ZINC001571305840 946378980 /nfs/dbraw/zinc/37/89/80/946378980.db2.gz LMBMLMVNCYGUCA-YUMQZZPRSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CN1C(=O)c1scnc1Cl ZINC001571305837 946379173 /nfs/dbraw/zinc/37/91/73/946379173.db2.gz LMBMLMVNCYGUCA-HTQZYQBOSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CN1C(=O)c1scnc1Cl ZINC001571305837 946379185 /nfs/dbraw/zinc/37/91/85/946379185.db2.gz LMBMLMVNCYGUCA-HTQZYQBOSA-N -1 1 391.848 1.482 20 0 GDADMM Cc1nsc(NC2CCN(C(=O)[C@H](C)[C@H]3CCCO3)CC2)c1-c1nn[n-]n1 ZINC001571305896 946380086 /nfs/dbraw/zinc/38/00/86/946380086.db2.gz NFGWFGUQQRSHJH-ZWNOBZJWSA-N -1 1 391.501 1.850 20 0 GDADMM C[C@H]1[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCN1C(=O)c1cnccn1 ZINC001571306228 946391588 /nfs/dbraw/zinc/39/15/88/946391588.db2.gz QUTMFFKNNFINBJ-YUMQZZPRSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCN1C(=O)c1cnccn1 ZINC001571306228 946391600 /nfs/dbraw/zinc/39/16/00/946391600.db2.gz QUTMFFKNNFINBJ-YUMQZZPRSA-N -1 1 391.848 1.482 20 0 GDADMM CCO[C@@H]1C[C@H]1C(=O)N1CCC(CNc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001571306324 946397856 /nfs/dbraw/zinc/39/78/56/946397856.db2.gz SRGNZZRLWSJOJQ-CHWSQXEVSA-N -1 1 391.501 1.707 20 0 GDADMM CN(C(=O)c1ccncn1)[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571306371 946398023 /nfs/dbraw/zinc/39/80/23/946398023.db2.gz ULBAZAAVOTYQMJ-MRVPVSSYSA-N -1 1 391.848 1.118 20 0 GDADMM CS(=O)(=O)C[C@@H](C(=O)NCc1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC001571306769 946410162 /nfs/dbraw/zinc/41/01/62/946410162.db2.gz PIXIGLPPSJGOMU-CYBMUJFWSA-N -1 1 391.478 1.373 20 0 GDADMM CC1(C)CN(c2nccnc2-c2nnn[n-]2)CC[C@@H]1NC(=O)[C@H]1C[C@@H]1C(F)F ZINC001571307604 946424288 /nfs/dbraw/zinc/42/42/88/946424288.db2.gz GEZOHNZNBDCDED-DCAQKATOSA-N -1 1 392.414 1.279 20 0 GDADMM CC1(C)CN(c2nccnc2-c2nn[n-]n2)CC[C@@H]1NC(=O)[C@H]1C[C@@H]1C(F)F ZINC001571307604 946424295 /nfs/dbraw/zinc/42/42/95/946424295.db2.gz GEZOHNZNBDCDED-DCAQKATOSA-N -1 1 392.414 1.279 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1NC(=O)C[C@H]1CCC(F)(F)C1 ZINC001571308609 946435485 /nfs/dbraw/zinc/43/54/85/946435485.db2.gz SHXUHDUWRVGTAO-IJLUTSLNSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1NC(=O)C[C@H]1CCC(F)(F)C1 ZINC001571308609 946435493 /nfs/dbraw/zinc/43/54/93/946435493.db2.gz SHXUHDUWRVGTAO-IJLUTSLNSA-N -1 1 392.414 1.423 20 0 GDADMM CC(F)(F)C1(C(=O)N2CC[C@@](C)(CNc3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001571308606 946435870 /nfs/dbraw/zinc/43/58/70/946435870.db2.gz SHORRTZAIJIGRZ-HNNXBMFYSA-N -1 1 392.414 1.743 20 0 GDADMM CC(F)(F)C1(C(=O)N2CC[C@@](C)(CNc3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571308606 946435877 /nfs/dbraw/zinc/43/58/77/946435877.db2.gz SHORRTZAIJIGRZ-HNNXBMFYSA-N -1 1 392.414 1.743 20 0 GDADMM O=C([C@@H]1CCC(F)(F)C1)N1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571309367 946443115 /nfs/dbraw/zinc/44/31/15/946443115.db2.gz YKDXPOQYKWXCFX-NEPJUHHUSA-N -1 1 392.414 1.307 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccc2c(c1)COC2 ZINC001571309588 946449121 /nfs/dbraw/zinc/44/91/21/946449121.db2.gz DWXUJJUSUPPANP-HNNXBMFYSA-N -1 1 392.423 1.086 20 0 GDADMM O=C(NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C1CCC(F)(F)CC1 ZINC001571310199 946464278 /nfs/dbraw/zinc/46/42/78/946464278.db2.gz YALGFKMOQKLZTD-UMSPYCQHSA-N -1 1 392.414 1.211 20 0 GDADMM CCc1ccc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cc1CC ZINC001571312707 946500039 /nfs/dbraw/zinc/50/00/39/946500039.db2.gz BCDQZUROSCFCDT-INIZCTEOSA-N -1 1 392.467 1.530 20 0 GDADMM O=C(c1ccccc1O)N1CC[C@@H]2[C@@H](CCN2c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571312791 946502388 /nfs/dbraw/zinc/50/23/88/946502388.db2.gz KGXGMOPRBHUYCB-SWLSCSKDSA-N -1 1 392.423 1.103 20 0 GDADMM O=C(c1ccccc1O)N1CC[C@@H]2[C@@H](CCN2c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571312791 946502398 /nfs/dbraw/zinc/50/23/98/946502398.db2.gz KGXGMOPRBHUYCB-SWLSCSKDSA-N -1 1 392.423 1.103 20 0 GDADMM O=C(c1ccc2c(c1)COC2)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571313602 946528746 /nfs/dbraw/zinc/52/87/46/946528746.db2.gz UFXCUAJZJREAHG-OAHLLOKOSA-N -1 1 392.423 1.404 20 0 GDADMM O=C(c1ccc2c(c1)COC2)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571313602 946528752 /nfs/dbraw/zinc/52/87/52/946528752.db2.gz UFXCUAJZJREAHG-OAHLLOKOSA-N -1 1 392.423 1.404 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)c(C)c1 ZINC001571315273 946550600 /nfs/dbraw/zinc/55/06/00/946550600.db2.gz IRAWCSILVVVBRE-HNNXBMFYSA-N -1 1 392.467 1.899 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)c(C)c1 ZINC001571315273 946550609 /nfs/dbraw/zinc/55/06/09/946550609.db2.gz IRAWCSILVVVBRE-HNNXBMFYSA-N -1 1 392.467 1.899 20 0 GDADMM Cc1cccc(C(=O)N[C@@H]2CC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)c1C ZINC001571315629 946555046 /nfs/dbraw/zinc/55/50/46/946555046.db2.gz MMYUQEYFXYXDFK-HUUCEWRRSA-N -1 1 392.467 1.706 20 0 GDADMM CC(C)(C)NC(=O)N1CCC(NC(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000824094408 946583995 /nfs/dbraw/zinc/58/39/95/946583995.db2.gz UNWODYGNEWSELF-UHFFFAOYSA-N -1 1 377.474 1.631 20 0 GDADMM CC(C)(C)NC(=O)N1CCC(NC(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000824094408 946584008 /nfs/dbraw/zinc/58/40/08/946584008.db2.gz UNWODYGNEWSELF-UHFFFAOYSA-N -1 1 377.474 1.631 20 0 GDADMM Cc1cccc(CC(=O)N2CCC(N(C)c3cnc(-c4nnn[n-]4)cn3)CC2)c1 ZINC001571316772 946587804 /nfs/dbraw/zinc/58/78/04/946587804.db2.gz MIQORQUVEJBTNN-UHFFFAOYSA-N -1 1 392.467 1.635 20 0 GDADMM Cc1cccc(CC(=O)N2CCC(N(C)c3cnc(-c4nn[n-]n4)cn3)CC2)c1 ZINC001571316772 946587811 /nfs/dbraw/zinc/58/78/11/946587811.db2.gz MIQORQUVEJBTNN-UHFFFAOYSA-N -1 1 392.467 1.635 20 0 GDADMM CN(C(=O)Cc1ccc[nH]1)[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571317343 946606264 /nfs/dbraw/zinc/60/62/64/946606264.db2.gz DMTPLAZTVXJQEP-JTQLQIEISA-N -1 1 392.876 1.585 20 0 GDADMM CN(C(=O)Cc1ccc[nH]1)[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571317343 946606277 /nfs/dbraw/zinc/60/62/77/946606277.db2.gz DMTPLAZTVXJQEP-JTQLQIEISA-N -1 1 392.876 1.585 20 0 GDADMM Cc1c(C(=O)N2CC[C@H](Nc3snc(Cl)c3-c3nnn[n-]3)C2)ccn1C ZINC001571317570 946614012 /nfs/dbraw/zinc/61/40/12/946614012.db2.gz MVEYVCATIFXCKD-VIFPVBQESA-N -1 1 392.876 1.950 20 0 GDADMM Cc1c(C(=O)N2CC[C@H](Nc3snc(Cl)c3-c3nn[n-]n3)C2)ccn1C ZINC001571317570 946614015 /nfs/dbraw/zinc/61/40/15/946614015.db2.gz MVEYVCATIFXCKD-VIFPVBQESA-N -1 1 392.876 1.950 20 0 GDADMM Cc1nsc(N[C@H]2CCCN(C(=O)c3csc(=O)[nH]3)C2)c1-c1nn[n-]n1 ZINC001571317713 946618559 /nfs/dbraw/zinc/61/85/59/946618559.db2.gz RZPGIFURRDUEPM-QMMMGPOBSA-N -1 1 392.470 1.510 20 0 GDADMM O=C(c1cc[nH]c(=O)c1)N1CC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571317696 946619731 /nfs/dbraw/zinc/61/97/31/946619731.db2.gz RICIBRYYEITMIV-QMMMGPOBSA-N -1 1 392.832 1.404 20 0 GDADMM O=C(c1cc[nH]c(=O)c1)N1CC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571317696 946619737 /nfs/dbraw/zinc/61/97/37/946619737.db2.gz RICIBRYYEITMIV-QMMMGPOBSA-N -1 1 392.832 1.404 20 0 GDADMM C[C@H](C(=O)N1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1)n1cccc1 ZINC001571317831 946621922 /nfs/dbraw/zinc/62/19/22/946621922.db2.gz WNZLWNCRHDRUQK-SNVBAGLBSA-N -1 1 392.876 1.688 20 0 GDADMM C[C@H](C(=O)N1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1)n1cccc1 ZINC001571317831 946621930 /nfs/dbraw/zinc/62/19/30/946621930.db2.gz WNZLWNCRHDRUQK-SNVBAGLBSA-N -1 1 392.876 1.688 20 0 GDADMM CC(=O)c1ccc2c(c1)CN(S(=O)(=O)c1ccc(-c3nnn[n-]3)s1)C2 ZINC001573555858 946918017 /nfs/dbraw/zinc/91/80/17/946918017.db2.gz RWTFCDGMRABVCN-UHFFFAOYSA-N -1 1 375.435 1.835 20 0 GDADMM CC(=O)c1ccc2c(c1)CN(S(=O)(=O)c1ccc(-c3nn[n-]n3)s1)C2 ZINC001573555858 946918025 /nfs/dbraw/zinc/91/80/25/946918025.db2.gz RWTFCDGMRABVCN-UHFFFAOYSA-N -1 1 375.435 1.835 20 0 GDADMM CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)C1 ZINC000825233154 947128815 /nfs/dbraw/zinc/12/88/15/947128815.db2.gz NSQMBNMXJJPXCK-AAEUAGOBSA-N -1 1 389.460 1.249 20 0 GDADMM CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)C1 ZINC000825233154 947128821 /nfs/dbraw/zinc/12/88/21/947128821.db2.gz NSQMBNMXJJPXCK-AAEUAGOBSA-N -1 1 389.460 1.249 20 0 GDADMM CCN(CC(=O)Nc1cccc(OC)c1)C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825395192 947174436 /nfs/dbraw/zinc/17/44/36/947174436.db2.gz MRWLETIFRBGWBN-UHFFFAOYSA-N -1 1 399.411 1.201 20 0 GDADMM CCN(CC(=O)Nc1cccc(OC)c1)C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825395192 947174443 /nfs/dbraw/zinc/17/44/43/947174443.db2.gz MRWLETIFRBGWBN-UHFFFAOYSA-N -1 1 399.411 1.201 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)N(c2ccccc2)C(C)C)c1-c1nn[n-]n1 ZINC000825564786 947221862 /nfs/dbraw/zinc/22/18/62/947221862.db2.gz FPHPYXPGWZAQBQ-UHFFFAOYSA-N -1 1 383.412 1.682 20 0 GDADMM C=C/C(C)=C\CC(=O)N[C@H](C)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573315269 947248476 /nfs/dbraw/zinc/24/84/76/947248476.db2.gz BYCREBZBOKUVBW-YGTTZKIMSA-N -1 1 382.472 1.900 20 0 GDADMM C=C/C(C)=C\CC(=O)N[C@H](C)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573315269 947248486 /nfs/dbraw/zinc/24/84/86/947248486.db2.gz BYCREBZBOKUVBW-YGTTZKIMSA-N -1 1 382.472 1.900 20 0 GDADMM CCS[C@H](C)c1noc(CN(C)C(=O)Cc2noc(C)c2-c2nnn[n-]2)n1 ZINC000825669341 947282842 /nfs/dbraw/zinc/28/28/42/947282842.db2.gz VPMSZLLXOBHROT-SECBINFHSA-N -1 1 392.445 1.561 20 0 GDADMM CCS[C@H](C)c1noc(CN(C)C(=O)Cc2noc(C)c2-c2nn[n-]n2)n1 ZINC000825669341 947282854 /nfs/dbraw/zinc/28/28/54/947282854.db2.gz VPMSZLLXOBHROT-SECBINFHSA-N -1 1 392.445 1.561 20 0 GDADMM C=C/C(C)=C\CC(=O)NC[C@H]1CCCCN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573319137 947325087 /nfs/dbraw/zinc/32/50/87/947325087.db2.gz UVYPYEGULMLAIC-JEMSNHSXSA-N -1 1 382.472 1.963 20 0 GDADMM C=C/C(C)=C\CC(=O)NC[C@H]1CCCCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573319137 947325101 /nfs/dbraw/zinc/32/51/01/947325101.db2.gz UVYPYEGULMLAIC-JEMSNHSXSA-N -1 1 382.472 1.963 20 0 GDADMM CN(C)S(=O)(=O)c1ccc(COC(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC000825875276 947351794 /nfs/dbraw/zinc/35/17/94/947351794.db2.gz IFXTUFWZCKQJOC-UHFFFAOYSA-N -1 1 393.450 1.536 20 0 GDADMM C[C@@H](C(=O)N(C)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)n1cccc1 ZINC001573593161 947364762 /nfs/dbraw/zinc/36/47/62/947364762.db2.gz QUCIJDOEDSDBHH-ZDUSSCGKSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H](C(=O)N(C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)n1cccc1 ZINC001573593161 947364774 /nfs/dbraw/zinc/36/47/74/947364774.db2.gz QUCIJDOEDSDBHH-ZDUSSCGKSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@H](C(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573593356 947368885 /nfs/dbraw/zinc/36/88/85/947368885.db2.gz RWQDQEJUHUFZNJ-NWDGAFQWSA-N -1 1 384.469 1.559 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000825923718 947371341 /nfs/dbraw/zinc/37/13/41/947371341.db2.gz SOVFZCCAKDSAOZ-VBKZILBWSA-N -1 1 392.467 1.467 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000825923718 947371342 /nfs/dbraw/zinc/37/13/42/947371342.db2.gz SOVFZCCAKDSAOZ-VBKZILBWSA-N -1 1 392.467 1.467 20 0 GDADMM COc1ccc(S(=O)(=O)Nc2ccccc2S(C)(=O)=O)cc1C(=O)[O-] ZINC000327310322 971386537 /nfs/dbraw/zinc/38/65/37/971386537.db2.gz UXSACGBBLZXDNQ-UHFFFAOYSA-N -1 1 385.419 1.598 20 0 GDADMM C[C@H](C(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1)c1ccc(F)cc1F ZINC001573603634 947491894 /nfs/dbraw/zinc/49/18/94/947491894.db2.gz ITJXASRPFONWLO-JTQLQIEISA-N -1 1 388.382 1.609 20 0 GDADMM C[C@H](C(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1)c1ccc(F)cc1F ZINC001573603634 947491903 /nfs/dbraw/zinc/49/19/03/947491903.db2.gz ITJXASRPFONWLO-JTQLQIEISA-N -1 1 388.382 1.609 20 0 GDADMM C[C@@H](C(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1)c1ccc(F)c(F)c1 ZINC001573605071 947523555 /nfs/dbraw/zinc/52/35/55/947523555.db2.gz URJXGIHQCKNQCM-SNVBAGLBSA-N -1 1 388.382 1.609 20 0 GDADMM C[C@@H](C(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1)c1ccc(F)c(F)c1 ZINC001573605071 947523562 /nfs/dbraw/zinc/52/35/62/947523562.db2.gz URJXGIHQCKNQCM-SNVBAGLBSA-N -1 1 388.382 1.609 20 0 GDADMM CC(C)N(CCN(C)c1cncc(-c2nnn[n-]2)n1)C(=O)[C@@H](C)c1ccco1 ZINC001573605338 947529040 /nfs/dbraw/zinc/52/90/40/947529040.db2.gz WEFAWSDRWWRYMC-ZDUSSCGKSA-N -1 1 384.444 1.727 20 0 GDADMM CC(C)N(CCN(C)c1cncc(-c2nn[n-]n2)n1)C(=O)[C@@H](C)c1ccco1 ZINC001573605338 947529051 /nfs/dbraw/zinc/52/90/51/947529051.db2.gz WEFAWSDRWWRYMC-ZDUSSCGKSA-N -1 1 384.444 1.727 20 0 GDADMM CC(C(=O)N(CCO)CCNc1snc(C)c1-c1nn[n-]n1)=C1CCC1 ZINC001573608234 947559529 /nfs/dbraw/zinc/55/95/29/947559529.db2.gz WUXUWBWMUMTMEZ-UHFFFAOYSA-N -1 1 377.474 1.365 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)C(F)(F)F ZINC001573613533 947565460 /nfs/dbraw/zinc/56/54/60/947565460.db2.gz BWOOQSHOGLJLFE-LPEHRKFASA-N -1 1 382.350 1.035 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)C(F)(F)F ZINC001573613533 947565466 /nfs/dbraw/zinc/56/54/66/947565466.db2.gz BWOOQSHOGLJLFE-LPEHRKFASA-N -1 1 382.350 1.035 20 0 GDADMM C[C@@H](C(=O)N1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1)C(C)(F)F ZINC001573613667 947566996 /nfs/dbraw/zinc/56/69/96/947566996.db2.gz GDDUGOHRQKVHPU-ONGXEEELSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@@H](C(=O)N1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C1)C(C)(F)F ZINC001573613667 947567000 /nfs/dbraw/zinc/56/70/00/947567000.db2.gz GDDUGOHRQKVHPU-ONGXEEELSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573614813 947594241 /nfs/dbraw/zinc/59/42/41/947594241.db2.gz HMYIRTINTTZTKU-RYUDHWBXSA-N -1 1 384.469 1.204 20 0 GDADMM C[C@@H](C(=O)N1CC[C@](C)(CNc2cnc(-c3nnn[n-]3)cn2)C1)C(C)(F)F ZINC001573616677 947625974 /nfs/dbraw/zinc/62/59/74/947625974.db2.gz MWWAPDOQHHXWTD-ZUZCIYMTSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H](C(=O)N1CC[C@](C)(CNc2cnc(-c3nn[n-]n3)cn2)C1)C(C)(F)F ZINC001573616677 947625985 /nfs/dbraw/zinc/62/59/85/947625985.db2.gz MWWAPDOQHHXWTD-ZUZCIYMTSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1ccsc1 ZINC001573619208 947660523 /nfs/dbraw/zinc/66/05/23/947660523.db2.gz USZADKPBLPHSFO-NWDGAFQWSA-N -1 1 384.469 1.782 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1ccsc1 ZINC001573619208 947660526 /nfs/dbraw/zinc/66/05/26/947660526.db2.gz USZADKPBLPHSFO-NWDGAFQWSA-N -1 1 384.469 1.782 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1)c1cccs1 ZINC001573619844 947671293 /nfs/dbraw/zinc/67/12/93/947671293.db2.gz YFWNCTLUEVYYEW-RYUDHWBXSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1)c1cccs1 ZINC001573619844 947671298 /nfs/dbraw/zinc/67/12/98/947671298.db2.gz YFWNCTLUEVYYEW-RYUDHWBXSA-N -1 1 384.469 1.559 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@@H](C)N(CC)c2cncc(-c3nnn[n-]3)n2)cc1 ZINC001573359213 947680718 /nfs/dbraw/zinc/68/07/18/947680718.db2.gz QERSMKWKVTURKF-CYBMUJFWSA-N -1 1 378.440 1.945 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@@H](C)N(CC)c2cncc(-c3nn[n-]n3)n2)cc1 ZINC001573359213 947680724 /nfs/dbraw/zinc/68/07/24/947680724.db2.gz QERSMKWKVTURKF-CYBMUJFWSA-N -1 1 378.440 1.945 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C)cc1 ZINC001573359252 947681276 /nfs/dbraw/zinc/68/12/76/947681276.db2.gz RWDPNMYTVOVXMF-MLGOLLRUSA-N -1 1 376.424 1.554 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C)cc1 ZINC001573359252 947681284 /nfs/dbraw/zinc/68/12/84/947681284.db2.gz RWDPNMYTVOVXMF-MLGOLLRUSA-N -1 1 376.424 1.554 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cccc(F)c1 ZINC001573625922 947704346 /nfs/dbraw/zinc/70/43/46/947704346.db2.gz QFUVWFGEKARPKO-BXUZGUMPSA-N -1 1 382.403 1.612 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cccc(F)c1 ZINC001573625922 947704352 /nfs/dbraw/zinc/70/43/52/947704352.db2.gz QFUVWFGEKARPKO-BXUZGUMPSA-N -1 1 382.403 1.612 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573627643 947730255 /nfs/dbraw/zinc/73/02/55/947730255.db2.gz DDVGRWIJGHXKDH-ZJUUUORDSA-N -1 1 384.366 1.282 20 0 GDADMM CC(=O)CCCC(=O)N(C)[C@H](C)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001573366035 947737286 /nfs/dbraw/zinc/73/72/86/947737286.db2.gz OXUCYLBFOVMCQZ-MRVPVSSYSA-N -1 1 385.881 1.995 20 0 GDADMM CC(=O)CCCC(=O)N(C)[C@H](C)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001573366035 947737290 /nfs/dbraw/zinc/73/72/90/947737290.db2.gz OXUCYLBFOVMCQZ-MRVPVSSYSA-N -1 1 385.881 1.995 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1)c1ccco1 ZINC001573628072 947744709 /nfs/dbraw/zinc/74/47/09/947744709.db2.gz IAPILKLAUHPLLH-STQMWFEESA-N -1 1 382.428 1.846 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1)c1ccco1 ZINC001573628072 947744719 /nfs/dbraw/zinc/74/47/19/947744719.db2.gz IAPILKLAUHPLLH-STQMWFEESA-N -1 1 382.428 1.846 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@@H]([C@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573367396 947760086 /nfs/dbraw/zinc/76/00/86/947760086.db2.gz CJNUIWMTRLVLDH-UONOGXRCSA-N -1 1 386.460 1.373 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@@H]([C@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573367396 947760096 /nfs/dbraw/zinc/76/00/96/947760096.db2.gz CJNUIWMTRLVLDH-UONOGXRCSA-N -1 1 386.460 1.373 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccnc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573628624 947760046 /nfs/dbraw/zinc/76/00/46/947760046.db2.gz NAIOEQXQJKNNOB-MGPQQGTHSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@@H](C(=O)N1CC[C@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1)C1CCC1 ZINC001573629037 947770770 /nfs/dbraw/zinc/77/07/70/947770770.db2.gz LRMWINUBYYWUAD-YJYMSZOUSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H](C(=O)N1CC[C@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1)C1CCC1 ZINC001573629037 947770778 /nfs/dbraw/zinc/77/07/78/947770778.db2.gz LRMWINUBYYWUAD-YJYMSZOUSA-N -1 1 382.472 1.522 20 0 GDADMM CC(=O)CCCC(=O)N1C[C@@H](C)[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573369271 947771935 /nfs/dbraw/zinc/77/19/35/947771935.db2.gz SNQUFURSMXKSIO-RISCZKNCSA-N -1 1 386.460 1.231 20 0 GDADMM CC(=O)CCCC(=O)N1C[C@@H](C)[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573369271 947771940 /nfs/dbraw/zinc/77/19/40/947771940.db2.gz SNQUFURSMXKSIO-RISCZKNCSA-N -1 1 386.460 1.231 20 0 GDADMM CC(=O)CCCC(=O)N1CCC(CN(C)c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573372939 947787209 /nfs/dbraw/zinc/78/72/09/947787209.db2.gz GEGNBIJNFGXVMT-UHFFFAOYSA-N -1 1 386.460 1.091 20 0 GDADMM CC(=O)CCCC(=O)N1CCC(CN(C)c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573372939 947787216 /nfs/dbraw/zinc/78/72/16/947787216.db2.gz GEGNBIJNFGXVMT-UHFFFAOYSA-N -1 1 386.460 1.091 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1)n1cccc1 ZINC001573630580 947792371 /nfs/dbraw/zinc/79/23/71/947792371.db2.gz ZARQQZIKAKRHTA-KBPBESRZSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1)n1cccc1 ZINC001573630580 947792380 /nfs/dbraw/zinc/79/23/80/947792380.db2.gz ZARQQZIKAKRHTA-KBPBESRZSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573630796 947796637 /nfs/dbraw/zinc/79/66/37/947796637.db2.gz SGNPOOATNRPKKS-VHSXEESVSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](CNc2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001573631754 947803728 /nfs/dbraw/zinc/80/37/28/947803728.db2.gz WJKBRUGOFWTMDL-ZIAGYGMSSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](CNc2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001573631754 947803739 /nfs/dbraw/zinc/80/37/39/947803739.db2.gz WJKBRUGOFWTMDL-ZIAGYGMSSA-N -1 1 381.444 1.370 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573375624 947823084 /nfs/dbraw/zinc/82/30/84/947823084.db2.gz POSAULQYXPMPGG-LBPRGKRZSA-N -1 1 377.474 1.476 20 0 GDADMM CC(=O)CCCC(=O)N1C[C@@H]2CCC[C@]2(CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573378258 947853920 /nfs/dbraw/zinc/85/39/20/947853920.db2.gz XFXJRWCAJXOYGB-LIRRHRJNSA-N -1 1 398.471 1.457 20 0 GDADMM CC(=O)CCCC(=O)N1C[C@@H]2CCC[C@]2(CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573378258 947853936 /nfs/dbraw/zinc/85/39/36/947853936.db2.gz XFXJRWCAJXOYGB-LIRRHRJNSA-N -1 1 398.471 1.457 20 0 GDADMM Cc1onc(CC(=O)N(C)CC(=O)Nc2c(C)cccc2C)c1-c1nnn[n-]1 ZINC000826296885 947858632 /nfs/dbraw/zinc/85/86/32/947858632.db2.gz NLOQPDLDXFVNNX-UHFFFAOYSA-N -1 1 383.412 1.420 20 0 GDADMM Cc1onc(CC(=O)N(C)CC(=O)Nc2c(C)cccc2C)c1-c1nn[n-]n1 ZINC000826296885 947858636 /nfs/dbraw/zinc/85/86/36/947858636.db2.gz NLOQPDLDXFVNNX-UHFFFAOYSA-N -1 1 383.412 1.420 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)CC1(C)C ZINC001573381220 947870328 /nfs/dbraw/zinc/87/03/28/947870328.db2.gz QWQMAQKCVVGPOL-CYBMUJFWSA-N -1 1 386.460 1.137 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)CC1(C)C ZINC001573381220 947870335 /nfs/dbraw/zinc/87/03/35/947870335.db2.gz QWQMAQKCVVGPOL-CYBMUJFWSA-N -1 1 386.460 1.137 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@@]2(C)C1)C(C)(F)F ZINC001573650327 947908820 /nfs/dbraw/zinc/90/88/20/947908820.db2.gz ARIQSPUHLCSOGO-UVWXRNBGSA-N -1 1 392.414 1.233 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@@]2(C)C1)C(C)(F)F ZINC001573650327 947908830 /nfs/dbraw/zinc/90/88/30/947908830.db2.gz ARIQSPUHLCSOGO-UVWXRNBGSA-N -1 1 392.414 1.233 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)c1ccsc1 ZINC001573652236 947933293 /nfs/dbraw/zinc/93/32/93/947933293.db2.gz BQZFMODXXKEECL-MFKMUULPSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)c1ccsc1 ZINC001573652236 947933297 /nfs/dbraw/zinc/93/32/97/947933297.db2.gz BQZFMODXXKEECL-MFKMUULPSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C(C)(C)C)C(C)(F)F ZINC001573653614 947958032 /nfs/dbraw/zinc/95/80/32/947958032.db2.gz MCENFALEVNKDSQ-GXSJLCMTSA-N -1 1 382.419 1.891 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C(C)(C)C)C(C)(F)F ZINC001573653614 947958035 /nfs/dbraw/zinc/95/80/35/947958035.db2.gz MCENFALEVNKDSQ-GXSJLCMTSA-N -1 1 382.419 1.891 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C(C)(C)C)n1cccc1 ZINC001573655788 947981463 /nfs/dbraw/zinc/98/14/63/947981463.db2.gz YUZWEEMBWKBKEN-TZMCWYRMSA-N -1 1 383.460 1.662 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C(C)(C)C)n1cccc1 ZINC001573655788 947981467 /nfs/dbraw/zinc/98/14/67/947981467.db2.gz YUZWEEMBWKBKEN-TZMCWYRMSA-N -1 1 383.460 1.662 20 0 GDADMM Cc1onc(CC(=O)N2CC[C@@H](COCc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826343742 947995401 /nfs/dbraw/zinc/99/54/01/947995401.db2.gz LRIUQFRJXMYAMV-OAHLLOKOSA-N -1 1 382.424 1.771 20 0 GDADMM Cc1onc(CC(=O)N2CC[C@@H](COCc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826343742 947995407 /nfs/dbraw/zinc/99/54/07/947995407.db2.gz LRIUQFRJXMYAMV-OAHLLOKOSA-N -1 1 382.424 1.771 20 0 GDADMM C[C@@H](C(=O)N[C@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cccs1 ZINC001573658608 948008993 /nfs/dbraw/zinc/00/89/93/948008993.db2.gz SOKUFYKARFXBQC-PIGZYNQJSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)N[C@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cccs1 ZINC001573658608 948008997 /nfs/dbraw/zinc/00/89/97/948008997.db2.gz SOKUFYKARFXBQC-PIGZYNQJSA-N -1 1 384.469 1.607 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@@H]2CNC(=O)OC(C)(C)C)c1-c1nnn[n-]1 ZINC000826344649 948012125 /nfs/dbraw/zinc/01/21/25/948012125.db2.gz NNUZTTWSKNCWDQ-LLVKDONJSA-N -1 1 391.432 1.221 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@@H]2CNC(=O)OC(C)(C)C)c1-c1nn[n-]n1 ZINC000826344649 948012137 /nfs/dbraw/zinc/01/21/37/948012137.db2.gz NNUZTTWSKNCWDQ-LLVKDONJSA-N -1 1 391.432 1.221 20 0 GDADMM C[C@@H](C(=O)NC1(CNc2ccnc(-c3nn[n-]n3)n2)CCCC1)C(F)(F)F ZINC001573659438 948013769 /nfs/dbraw/zinc/01/37/69/948013769.db2.gz VUBVHYPZJMJGIR-VIFPVBQESA-N -1 1 384.366 1.118 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](C)c2ccc3c(c2)CCC(=O)N3)c1-c1nnn[n-]1 ZINC000826345472 948025637 /nfs/dbraw/zinc/02/56/37/948025637.db2.gz LTVFGEHUBKQIQR-VIFPVBQESA-N -1 1 381.396 1.468 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](C)c2ccc3c(c2)CCC(=O)N3)c1-c1nn[n-]n1 ZINC000826345472 948025645 /nfs/dbraw/zinc/02/56/45/948025645.db2.gz LTVFGEHUBKQIQR-VIFPVBQESA-N -1 1 381.396 1.468 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2)C1CCC1 ZINC001573662768 948026513 /nfs/dbraw/zinc/02/65/13/948026513.db2.gz FVDUYWMDYKTYLH-DOMZBBRYSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2)C1CCC1 ZINC001573662768 948026524 /nfs/dbraw/zinc/02/65/24/948026524.db2.gz FVDUYWMDYKTYLH-DOMZBBRYSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](C(=O)NC1(CNc2cncc(-c3nnn[n-]3)n2)CCCC1)C(C)(F)F ZINC001573663051 948032836 /nfs/dbraw/zinc/03/28/36/948032836.db2.gz IOCCDGPGBZZPQG-SNVBAGLBSA-N -1 1 380.403 1.789 20 0 GDADMM C[C@H](C(=O)NC1(CNc2cncc(-c3nn[n-]n3)n2)CCCC1)C(C)(F)F ZINC001573663051 948032841 /nfs/dbraw/zinc/03/28/41/948032841.db2.gz IOCCDGPGBZZPQG-SNVBAGLBSA-N -1 1 380.403 1.789 20 0 GDADMM C[C@H](C(=O)NC1(CNc2cnc(-c3nnn[n-]3)cn2)CCCC1)C(C)(F)F ZINC001573663726 948039458 /nfs/dbraw/zinc/03/94/58/948039458.db2.gz OZWHLMMCBQKGOE-SNVBAGLBSA-N -1 1 380.403 1.789 20 0 GDADMM C[C@H](C(=O)NC1(CNc2cnc(-c3nn[n-]n3)cn2)CCCC1)C(C)(F)F ZINC001573663726 948039462 /nfs/dbraw/zinc/03/94/62/948039462.db2.gz OZWHLMMCBQKGOE-SNVBAGLBSA-N -1 1 380.403 1.789 20 0 GDADMM Cc1onc(CC(=O)NCCc2ccn(-c3ccc(F)cc3)n2)c1-c1nnn[n-]1 ZINC000826347776 948060780 /nfs/dbraw/zinc/06/07/80/948060780.db2.gz FOHPVYTYUUTHDY-UHFFFAOYSA-N -1 1 396.386 1.389 20 0 GDADMM Cc1onc(CC(=O)NCCc2ccn(-c3ccc(F)cc3)n2)c1-c1nn[n-]n1 ZINC000826347776 948060789 /nfs/dbraw/zinc/06/07/89/948060789.db2.gz FOHPVYTYUUTHDY-UHFFFAOYSA-N -1 1 396.386 1.389 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccsc1 ZINC001573665051 948067538 /nfs/dbraw/zinc/06/75/38/948067538.db2.gz HZRDIJAFRJQQED-YPMHNXCESA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccsc1 ZINC001573665051 948067547 /nfs/dbraw/zinc/06/75/47/948067547.db2.gz HZRDIJAFRJQQED-YPMHNXCESA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)NC1CC(CNc2cncc(-c3nnn[n-]3)n2)C1)c1cccs1 ZINC001573665023 948067802 /nfs/dbraw/zinc/06/78/02/948067802.db2.gz ZXLNEBXVNGBMFQ-VOMCLLRMSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)NC1CC(CNc2cncc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573665023 948067808 /nfs/dbraw/zinc/06/78/08/948067808.db2.gz ZXLNEBXVNGBMFQ-VOMCLLRMSA-N -1 1 384.469 1.829 20 0 GDADMM Cc1onc(CC(=O)NCc2ccc(Cn3cccn3)cc2)c1-c1nnn[n-]1 ZINC000826348155 948068880 /nfs/dbraw/zinc/06/88/80/948068880.db2.gz XNYKFAQZMSNOMM-UHFFFAOYSA-N -1 1 378.396 1.267 20 0 GDADMM Cc1onc(CC(=O)NCc2ccc(Cn3cccn3)cc2)c1-c1nn[n-]n1 ZINC000826348155 948068890 /nfs/dbraw/zinc/06/88/90/948068890.db2.gz XNYKFAQZMSNOMM-UHFFFAOYSA-N -1 1 378.396 1.267 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)c1-c1nnn[n-]1 ZINC000826348281 948069844 /nfs/dbraw/zinc/06/98/44/948069844.db2.gz FNVUIIXYDBRCHP-PHIMTYICSA-N -1 1 398.427 1.353 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)c1-c1nn[n-]n1 ZINC000826348281 948069853 /nfs/dbraw/zinc/06/98/53/948069853.db2.gz FNVUIIXYDBRCHP-PHIMTYICSA-N -1 1 398.427 1.353 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C1CCCC1 ZINC001573665867 948079293 /nfs/dbraw/zinc/07/92/93/948079293.db2.gz NUXJQPACQQNQMK-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C1CCCC1 ZINC001573665867 948079302 /nfs/dbraw/zinc/07/93/02/948079302.db2.gz NUXJQPACQQNQMK-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM Cc1onc(CC(=O)Nc2cccc(CN3CCOCC3)c2)c1-c1nn[n-]n1 ZINC000826348978 948085602 /nfs/dbraw/zinc/08/56/02/948085602.db2.gz OJFAKHGJIRWBJV-UHFFFAOYSA-N -1 1 383.412 1.177 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2)C1CCC1 ZINC001573667314 948096960 /nfs/dbraw/zinc/09/69/60/948096960.db2.gz YXRCFBIWGAHEBU-WFASDCNBSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2)C1CCC1 ZINC001573667314 948096967 /nfs/dbraw/zinc/09/69/67/948096967.db2.gz YXRCFBIWGAHEBU-WFASDCNBSA-N -1 1 382.472 1.568 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cn(-c3cccc(Cl)c3F)nn2)n1 ZINC000826357590 948112341 /nfs/dbraw/zinc/11/23/41/948112341.db2.gz KXGKZPDFLCDXBE-UHFFFAOYSA-N -1 1 388.754 1.226 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cn(-c3cccc(Cl)c3F)nn2)n1 ZINC000826357590 948112345 /nfs/dbraw/zinc/11/23/45/948112345.db2.gz KXGKZPDFLCDXBE-UHFFFAOYSA-N -1 1 388.754 1.226 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1)n1cccc1 ZINC001573676222 948124635 /nfs/dbraw/zinc/12/46/35/948124635.db2.gz SPWDJBYSXHEKSU-UWVGGRQHSA-N -1 1 392.876 1.734 20 0 GDADMM Cn1cc(CNC(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)nn1 ZINC000826361281 948129707 /nfs/dbraw/zinc/12/97/07/948129707.db2.gz RQDFWNGZNZNSQE-UHFFFAOYSA-N -1 1 395.452 1.723 20 0 GDADMM C[C@H](C(=O)NC[C@@H](Nc1nccnc1-c1nnn[n-]1)c1ccccc1)C1CC1 ZINC001573678999 948156012 /nfs/dbraw/zinc/15/60/12/948156012.db2.gz HJHLTUOGRGWQII-SWLSCSKDSA-N -1 1 378.440 1.972 20 0 GDADMM C[C@H](C(=O)NC[C@@H](Nc1nccnc1-c1nn[n-]n1)c1ccccc1)C1CC1 ZINC001573678999 948156019 /nfs/dbraw/zinc/15/60/19/948156019.db2.gz HJHLTUOGRGWQII-SWLSCSKDSA-N -1 1 378.440 1.972 20 0 GDADMM C[C@H](C(=O)NC[C@H](Nc1nccnc1-c1nnn[n-]1)c1ccccc1)C1CC1 ZINC001573679000 948157351 /nfs/dbraw/zinc/15/73/51/948157351.db2.gz HJHLTUOGRGWQII-WFASDCNBSA-N -1 1 378.440 1.972 20 0 GDADMM C[C@H](C(=O)NC[C@H](Nc1nccnc1-c1nn[n-]n1)c1ccccc1)C1CC1 ZINC001573679000 948157360 /nfs/dbraw/zinc/15/73/60/948157360.db2.gz HJHLTUOGRGWQII-WFASDCNBSA-N -1 1 378.440 1.972 20 0 GDADMM C[C@@H](C(=O)NC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1)c1ccsc1 ZINC001573680323 948177145 /nfs/dbraw/zinc/17/71/45/948177145.db2.gz MZAZJNSHGDGRRO-ZWNOBZJWSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)NC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1)c1ccsc1 ZINC001573680323 948177151 /nfs/dbraw/zinc/17/71/51/948177151.db2.gz MZAZJNSHGDGRRO-ZWNOBZJWSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)NC[C@@H](Nc1nccnc1-c1nnn[n-]1)C1CC1)c1ccsc1 ZINC001573680455 948179841 /nfs/dbraw/zinc/17/98/41/948179841.db2.gz NUQYEVSGFGWBKM-ZWNOBZJWSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)NC[C@@H](Nc1nccnc1-c1nn[n-]n1)C1CC1)c1ccsc1 ZINC001573680455 948179849 /nfs/dbraw/zinc/17/98/49/948179849.db2.gz NUQYEVSGFGWBKM-ZWNOBZJWSA-N -1 1 384.469 1.829 20 0 GDADMM CC(=O)NCCN(C(=O)c1cc(-c2cccc(Cl)c2)[nH]n1)[C@H](C)C(=O)[O-] ZINC001602755657 971464991 /nfs/dbraw/zinc/46/49/91/971464991.db2.gz GTGOFMDHSZLOAV-SNVBAGLBSA-N -1 1 378.816 1.782 20 0 GDADMM C[C@H](C(=O)NC[C@@]1(C)CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573691507 948242861 /nfs/dbraw/zinc/24/28/61/948242861.db2.gz JKKYKFFMFKVGJT-ORAYPTAESA-N -1 1 384.488 1.816 20 0 GDADMM CC(=O)N1CC[C@@H](OC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)c2ccccc21 ZINC001573439653 948249479 /nfs/dbraw/zinc/24/94/79/948249479.db2.gz NXOFWJOOMLAFEU-QMTHXVAHSA-N -1 1 382.384 1.060 20 0 GDADMM C[C@@H](C(=O)NC[C@]1(C)CN(c2cncc(-c3nnn[n-]3)n2)CCO1)C(C)(C)C ZINC001573691897 948250069 /nfs/dbraw/zinc/25/00/69/948250069.db2.gz KWWSDCJUVXPNRB-KPZWWZAWSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@@H](C(=O)NC[C@]1(C)CN(c2cncc(-c3nn[n-]n3)n2)CCO1)C(C)(C)C ZINC001573691897 948250080 /nfs/dbraw/zinc/25/00/80/948250080.db2.gz KWWSDCJUVXPNRB-KPZWWZAWSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CC1)c1cccc(F)c1 ZINC001573692354 948262112 /nfs/dbraw/zinc/26/21/12/948262112.db2.gz OUBPNOPTUFSUJA-LLVKDONJSA-N -1 1 382.403 1.660 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CC1)c1cccc(F)c1 ZINC001573692354 948262114 /nfs/dbraw/zinc/26/21/14/948262114.db2.gz OUBPNOPTUFSUJA-LLVKDONJSA-N -1 1 382.403 1.660 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1)c1cccc(F)c1 ZINC001573692534 948266588 /nfs/dbraw/zinc/26/65/88/948266588.db2.gz QLELRCUSWZECIF-NSHDSACASA-N -1 1 382.403 1.660 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1)c1cccc(F)c1 ZINC001573692534 948266593 /nfs/dbraw/zinc/26/65/93/948266593.db2.gz QLELRCUSWZECIF-NSHDSACASA-N -1 1 382.403 1.660 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccco1 ZINC001573702569 948346611 /nfs/dbraw/zinc/34/66/11/948346611.db2.gz FMGVTJHYIYKCQG-STQMWFEESA-N -1 1 382.428 1.386 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccco1 ZINC001573702569 948346618 /nfs/dbraw/zinc/34/66/18/948346618.db2.gz FMGVTJHYIYKCQG-STQMWFEESA-N -1 1 382.428 1.386 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1)C1CCCC1 ZINC001573702609 948347447 /nfs/dbraw/zinc/34/74/47/948347447.db2.gz FVIUHDJISSNFFJ-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1)C1CCCC1 ZINC001573702609 948347455 /nfs/dbraw/zinc/34/74/55/948347455.db2.gz FVIUHDJISSNFFJ-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](C(=O)NCC=CCNc1cncc(-c2nnn[n-]2)n1)c1cccc(F)c1 ZINC001573705110 948391682 /nfs/dbraw/zinc/39/16/82/948391682.db2.gz CUIYPXPJURJUNW-QAVQXKDTSA-N -1 1 382.403 1.684 20 0 GDADMM C[C@@H](C(=O)NCC=CCNc1cncc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001573705110 948391688 /nfs/dbraw/zinc/39/16/88/948391688.db2.gz CUIYPXPJURJUNW-QAVQXKDTSA-N -1 1 382.403 1.684 20 0 GDADMM C[C@H](C(=O)NCC=CCNc1cncc(-c2nnn[n-]2)n1)c1cccc(F)c1 ZINC001573705108 948391796 /nfs/dbraw/zinc/39/17/96/948391796.db2.gz CUIYPXPJURJUNW-DLGQBQFBSA-N -1 1 382.403 1.684 20 0 GDADMM C[C@H](C(=O)NCC=CCNc1cncc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001573705108 948391802 /nfs/dbraw/zinc/39/18/02/948391802.db2.gz CUIYPXPJURJUNW-DLGQBQFBSA-N -1 1 382.403 1.684 20 0 GDADMM O[C@H](COC(c1ccccc1)c1ccccc1)Cn1cnc(-c2nn[n-]n2)n1 ZINC000826504052 948423180 /nfs/dbraw/zinc/42/31/80/948423180.db2.gz MBQQSRSHICKQEP-INIZCTEOSA-N -1 1 377.408 1.625 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1)C1CC1 ZINC001573708141 948445006 /nfs/dbraw/zinc/44/50/06/948445006.db2.gz RWJRGVADDNICGA-RKDXNWHRSA-N -1 1 381.893 1.965 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1)C1CC1 ZINC001573708141 948445014 /nfs/dbraw/zinc/44/50/14/948445014.db2.gz RWJRGVADDNICGA-RKDXNWHRSA-N -1 1 381.893 1.965 20 0 GDADMM C[C@H](C(=O)NCCC1(CNc2cncc(-c3nnn[n-]3)n2)CC1)n1cccc1 ZINC001573708903 948462317 /nfs/dbraw/zinc/46/23/17/948462317.db2.gz YPFRWWUBEBOGFW-CYBMUJFWSA-N -1 1 381.444 1.418 20 0 GDADMM C[C@H](C(=O)NCCC1(CNc2cncc(-c3nn[n-]n3)n2)CC1)n1cccc1 ZINC001573708903 948462323 /nfs/dbraw/zinc/46/23/23/948462323.db2.gz YPFRWWUBEBOGFW-CYBMUJFWSA-N -1 1 381.444 1.418 20 0 GDADMM C[C@@H](C(=O)NCC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)C(C)(F)F ZINC001573715350 948487922 /nfs/dbraw/zinc/48/79/22/948487922.db2.gz URQVXIOXHLWESF-QWRGUYRKSA-N -1 1 380.403 1.281 20 0 GDADMM C[C@@H](C(=O)NCC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)C(C)(F)F ZINC001573715350 948487927 /nfs/dbraw/zinc/48/79/27/948487927.db2.gz URQVXIOXHLWESF-QWRGUYRKSA-N -1 1 380.403 1.281 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1ccnc(-c2nn[n-]n2)n1)c1ccc(Cl)s1 ZINC001573718100 948513689 /nfs/dbraw/zinc/51/36/89/948513689.db2.gz HSHRUGPNUDWKSF-SECBINFHSA-N -1 1 392.876 1.728 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1nccnc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC001573719725 948529023 /nfs/dbraw/zinc/52/90/23/948529023.db2.gz OLDGLUXKPBNIBT-JTQLQIEISA-N -1 1 388.382 1.291 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1nccnc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC001573719725 948529028 /nfs/dbraw/zinc/52/90/28/948529028.db2.gz OLDGLUXKPBNIBT-JTQLQIEISA-N -1 1 388.382 1.291 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C)C(C)(F)F ZINC001573725611 948544116 /nfs/dbraw/zinc/54/41/16/948544116.db2.gz CHEDULKKLDNHKG-OUAUKWLOSA-N -1 1 380.403 1.137 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)C(C)(F)F ZINC001573726002 948547890 /nfs/dbraw/zinc/54/78/90/948547890.db2.gz FOKUBECJCHGDRK-OUAUKWLOSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)C(C)(F)F ZINC001573726002 948547895 /nfs/dbraw/zinc/54/78/95/948547895.db2.gz FOKUBECJCHGDRK-OUAUKWLOSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@@H](C(=O)NC[C@]12CCC[C@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2)C1CC1 ZINC001573730962 948585657 /nfs/dbraw/zinc/58/56/57/948585657.db2.gz UEAFKRDOGJWLBK-KPAZRMRSSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](C(=O)NC[C@]12CCC[C@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2)C1CC1 ZINC001573730962 948585663 /nfs/dbraw/zinc/58/56/63/948585663.db2.gz UEAFKRDOGJWLBK-KPAZRMRSSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](NC(=O)[C@@H](C)C1CCC1)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573731857 948598338 /nfs/dbraw/zinc/59/83/38/948598338.db2.gz JAWPMXOZAAMFGM-STQMWFEESA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](NC(=O)[C@@H](C)C1CCC1)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573731857 948598344 /nfs/dbraw/zinc/59/83/44/948598344.db2.gz JAWPMXOZAAMFGM-STQMWFEESA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1)C(C)(F)F ZINC001573736247 948612815 /nfs/dbraw/zinc/61/28/15/948612815.db2.gz KSXFQCQJOMDIQV-GMTAPVOTSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1)C(C)(F)F ZINC001573736247 948612818 /nfs/dbraw/zinc/61/28/18/948612818.db2.gz KSXFQCQJOMDIQV-GMTAPVOTSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1cncc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001573736440 948616190 /nfs/dbraw/zinc/61/61/90/948616190.db2.gz SZGWNLRTBPXNGI-OPRDCNLKSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1cncc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573736440 948616196 /nfs/dbraw/zinc/61/61/96/948616196.db2.gz SZGWNLRTBPXNGI-OPRDCNLKSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccc(C(F)F)nc1 ZINC001574678382 948749030 /nfs/dbraw/zinc/74/90/30/948749030.db2.gz FATYSYLNCTYSKZ-SECBINFHSA-N -1 1 389.370 1.610 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccc(C(F)F)nc1 ZINC001574678382 948749038 /nfs/dbraw/zinc/74/90/38/948749038.db2.gz FATYSYLNCTYSKZ-SECBINFHSA-N -1 1 389.370 1.610 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@H](C)[C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)cn1 ZINC001574416534 948749054 /nfs/dbraw/zinc/74/90/54/948749054.db2.gz XDRBOIOJHTWXAV-VXGBXAGGSA-N -1 1 381.444 1.794 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@H](C)[C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)cn1 ZINC001574416534 948749062 /nfs/dbraw/zinc/74/90/62/948749062.db2.gz XDRBOIOJHTWXAV-VXGBXAGGSA-N -1 1 381.444 1.794 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccsc1Cl ZINC001574678557 948752749 /nfs/dbraw/zinc/75/27/49/948752749.db2.gz GYQMQFRCOQWPOX-MRVPVSSYSA-N -1 1 378.849 1.992 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccsc1Cl ZINC001574678557 948752759 /nfs/dbraw/zinc/75/27/59/948752759.db2.gz GYQMQFRCOQWPOX-MRVPVSSYSA-N -1 1 378.849 1.992 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCC(CNc3cnc(-c4nnn[n-]4)cn3)CC2)CC1 ZINC001575222754 948757986 /nfs/dbraw/zinc/75/79/86/948757986.db2.gz IWWXKXTWTPNVJM-UHFFFAOYSA-N -1 1 392.414 1.743 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCC(CNc3cnc(-c4nn[n-]n4)cn3)CC2)CC1 ZINC001575222754 948757996 /nfs/dbraw/zinc/75/79/96/948757996.db2.gz IWWXKXTWTPNVJM-UHFFFAOYSA-N -1 1 392.414 1.743 20 0 GDADMM CC(C)c1cccc(C(=O)NCC=CCNc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001574416706 948758574 /nfs/dbraw/zinc/75/85/74/948758574.db2.gz DYHURUNRSQPXRQ-ARJAWSKDSA-N -1 1 379.428 1.573 20 0 GDADMM CC(C)c1cccc(C(=O)NCC=CCNc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001574416706 948758581 /nfs/dbraw/zinc/75/85/81/948758581.db2.gz DYHURUNRSQPXRQ-ARJAWSKDSA-N -1 1 379.428 1.573 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@@H](C)[C@@H](C)Nc2nccnc2-c2nnn[n-]2)n1 ZINC001574416815 948763151 /nfs/dbraw/zinc/76/31/51/948763151.db2.gz JBHFYHBJQGYJJW-NEPJUHHUSA-N -1 1 381.444 1.794 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@@H](C)[C@@H](C)Nc2nccnc2-c2nn[n-]n2)n1 ZINC001574416815 948763159 /nfs/dbraw/zinc/76/31/59/948763159.db2.gz JBHFYHBJQGYJJW-NEPJUHHUSA-N -1 1 381.444 1.794 20 0 GDADMM CC(F)(F)C1(C(=O)NCC2(Nc3cncc(-c4nnn[n-]4)n3)CCCC2)CC1 ZINC001575223317 948764679 /nfs/dbraw/zinc/76/46/79/948764679.db2.gz NUARNEFWQUGZIC-UHFFFAOYSA-N -1 1 392.414 1.933 20 0 GDADMM CC(F)(F)C1(C(=O)NCC2(Nc3cncc(-c4nn[n-]n4)n3)CCCC2)CC1 ZINC001575223317 948764688 /nfs/dbraw/zinc/76/46/88/948764688.db2.gz NUARNEFWQUGZIC-UHFFFAOYSA-N -1 1 392.414 1.933 20 0 GDADMM CC(C)c1cccc(C(=O)NC[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001574418159 948771799 /nfs/dbraw/zinc/77/17/99/948771799.db2.gz UAGINMJOZHFFRF-AKAXFMLLSA-N -1 1 392.467 1.823 20 0 GDADMM CC(C)c1cccc(C(=O)N(C)CCCNc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001574417529 948772899 /nfs/dbraw/zinc/77/28/99/948772899.db2.gz RGLHITBFCKOYMI-UHFFFAOYSA-N -1 1 381.444 1.749 20 0 GDADMM CC(C)c1cccc(C(=O)N(C)CCCNc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001574417529 948772907 /nfs/dbraw/zinc/77/29/07/948772907.db2.gz RGLHITBFCKOYMI-UHFFFAOYSA-N -1 1 381.444 1.749 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@H](C)CCNc2cnc(-c3nnn[n-]3)cn2)s1 ZINC001574679383 948777969 /nfs/dbraw/zinc/77/79/69/948777969.db2.gz UMPNSBODXRBFBM-SNVBAGLBSA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@H](C)CCNc2cnc(-c3nn[n-]n3)cn2)s1 ZINC001574679383 948777981 /nfs/dbraw/zinc/77/79/81/948777981.db2.gz UMPNSBODXRBFBM-SNVBAGLBSA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)[C@H](F)C(=O)N[C@H](C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574080021 948781366 /nfs/dbraw/zinc/78/13/66/948781366.db2.gz NJRSSYDCGLEQLQ-ABAIWWIYSA-N -1 1 376.440 1.372 20 0 GDADMM CC(C)[C@H](F)C(=O)N[C@H](C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574080021 948781372 /nfs/dbraw/zinc/78/13/72/948781372.db2.gz NJRSSYDCGLEQLQ-ABAIWWIYSA-N -1 1 376.440 1.372 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)C1CCC(F)(F)CC1 ZINC001574679542 948784005 /nfs/dbraw/zinc/78/40/05/948784005.db2.gz XNMMCKPMZDHWRA-JTQLQIEISA-N -1 1 380.403 1.789 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)C1CCC(F)(F)CC1 ZINC001574679542 948784021 /nfs/dbraw/zinc/78/40/21/948784021.db2.gz XNMMCKPMZDHWRA-JTQLQIEISA-N -1 1 380.403 1.789 20 0 GDADMM C[C@H](CNC(=O)CCc1ccon1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574916695 948785050 /nfs/dbraw/zinc/78/50/50/948785050.db2.gz HSMPFVBQZAUVPV-SSDOTTSWSA-N -1 1 382.837 1.514 20 0 GDADMM C[C@H](CNC(=O)CCc1ccon1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574916695 948785059 /nfs/dbraw/zinc/78/50/59/948785059.db2.gz HSMPFVBQZAUVPV-SSDOTTSWSA-N -1 1 382.837 1.514 20 0 GDADMM C[C@@H](CNC(=O)CCc1ccon1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574916696 948786228 /nfs/dbraw/zinc/78/62/28/948786228.db2.gz HSMPFVBQZAUVPV-ZETCQYMHSA-N -1 1 382.837 1.514 20 0 GDADMM C[C@@H](CNC(=O)CCc1ccon1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574916696 948786244 /nfs/dbraw/zinc/78/62/44/948786244.db2.gz HSMPFVBQZAUVPV-ZETCQYMHSA-N -1 1 382.837 1.514 20 0 GDADMM CC(C)[C@@H](F)C(=O)NCc1ccc(CNc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001574080191 948786503 /nfs/dbraw/zinc/78/65/03/948786503.db2.gz JNKTWCNWYOSCSC-OAHLLOKOSA-N -1 1 384.419 1.301 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001574419604 948788142 /nfs/dbraw/zinc/78/81/42/948788142.db2.gz GNFCMSHEIATECG-HAQNSBGRSA-N -1 1 379.428 1.548 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001574419604 948788149 /nfs/dbraw/zinc/78/81/49/948788149.db2.gz GNFCMSHEIATECG-HAQNSBGRSA-N -1 1 379.428 1.548 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@@H](C)CCNc2cncc(-c3nnn[n-]3)n2)s1 ZINC001574680126 948801895 /nfs/dbraw/zinc/80/18/95/948801895.db2.gz DXNXCXJDBAZHPH-JTQLQIEISA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@@H](C)CCNc2cncc(-c3nn[n-]n3)n2)s1 ZINC001574680126 948801908 /nfs/dbraw/zinc/80/19/08/948801908.db2.gz DXNXCXJDBAZHPH-JTQLQIEISA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@H](C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001574680464 948806182 /nfs/dbraw/zinc/80/61/82/948806182.db2.gz HEZQZXHUSFZFPC-SNVBAGLBSA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@H](C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001574680464 948806197 /nfs/dbraw/zinc/80/61/97/948806197.db2.gz HEZQZXHUSFZFPC-SNVBAGLBSA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)[C@@H](F)C(=O)NC[C@@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001574080786 948806344 /nfs/dbraw/zinc/80/63/44/948806344.db2.gz NKGHCHJDJSCXNW-BXUZGUMPSA-N -1 1 382.465 1.239 20 0 GDADMM CC(C)c1ccoc1C(=O)N1C[C@H](C)[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574421051 948809195 /nfs/dbraw/zinc/80/91/95/948809195.db2.gz FBILXJQKUWINIX-SMDDNHRTSA-N -1 1 382.428 1.946 20 0 GDADMM CC(C)c1ccoc1C(=O)N1C[C@H](C)[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574421051 948809215 /nfs/dbraw/zinc/80/92/15/948809215.db2.gz FBILXJQKUWINIX-SMDDNHRTSA-N -1 1 382.428 1.946 20 0 GDADMM CC(C)c1ccoc1C(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001574421342 948815505 /nfs/dbraw/zinc/81/55/05/948815505.db2.gz JDAYMOWSZDVJKC-CYBMUJFWSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1ccoc1C(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001574421342 948815520 /nfs/dbraw/zinc/81/55/20/948815520.db2.gz JDAYMOWSZDVJKC-CYBMUJFWSA-N -1 1 382.428 1.994 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cnn(C2CCC2)c1 ZINC001574681397 948817718 /nfs/dbraw/zinc/81/77/18/948817718.db2.gz MPNIDVIAJWYARY-NSHDSACASA-N -1 1 382.432 1.199 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cnn(C2CCC2)c1 ZINC001574681397 948817734 /nfs/dbraw/zinc/81/77/34/948817734.db2.gz MPNIDVIAJWYARY-NSHDSACASA-N -1 1 382.432 1.199 20 0 GDADMM CC(C)c1ccoc1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001574421556 948820560 /nfs/dbraw/zinc/82/05/60/948820560.db2.gz MFIPHLQNHBWERJ-YPMHNXCESA-N -1 1 382.428 1.770 20 0 GDADMM CC(C)c1nnsc1C(=O)N[C@H](C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001574681724 948821643 /nfs/dbraw/zinc/82/16/43/948821643.db2.gz NGXRLVNYIAGSED-SECBINFHSA-N -1 1 388.461 1.252 20 0 GDADMM CC(C)c1nnsc1C(=O)N[C@H](C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001574681724 948821654 /nfs/dbraw/zinc/82/16/54/948821654.db2.gz NGXRLVNYIAGSED-SECBINFHSA-N -1 1 388.461 1.252 20 0 GDADMM CC(C)c1ccoc1C(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574421767 948822139 /nfs/dbraw/zinc/82/21/39/948822139.db2.gz ONNKNQPIZVGHHI-UHFFFAOYSA-N -1 1 382.428 1.726 20 0 GDADMM CC(C)c1ccoc1C(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574422208 948829432 /nfs/dbraw/zinc/82/94/32/948829432.db2.gz XEUHUPUXPZDKLJ-TXEJJXNPSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1ccoc1C(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574422208 948829451 /nfs/dbraw/zinc/82/94/51/948829451.db2.gz XEUHUPUXPZDKLJ-TXEJJXNPSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1ccsc1C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574424015 948836569 /nfs/dbraw/zinc/83/65/69/948836569.db2.gz AZPSCAVCTNZOGY-JTQLQIEISA-N -1 1 388.457 1.044 20 0 GDADMM CC(C)c1ccsc1C(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574424015 948836586 /nfs/dbraw/zinc/83/65/86/948836586.db2.gz AZPSCAVCTNZOGY-JTQLQIEISA-N -1 1 388.457 1.044 20 0 GDADMM CC(F)(F)CC(=O)NC[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001575229338 948847870 /nfs/dbraw/zinc/84/78/70/948847870.db2.gz IHPPYWQPAKMFSA-SSDOTTSWSA-N -1 1 391.835 1.964 20 0 GDADMM CC(F)(F)CC(=O)NC[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001575229338 948847887 /nfs/dbraw/zinc/84/78/87/948847887.db2.gz IHPPYWQPAKMFSA-SSDOTTSWSA-N -1 1 391.835 1.964 20 0 GDADMM C[C@@H](CNC(=O)CCCc1ccccc1)CNc1nccnc1-c1nnn[n-]1 ZINC001574918545 948850342 /nfs/dbraw/zinc/85/03/42/948850342.db2.gz NCMNTJCFMTZCBR-AWEZNQCLSA-N -1 1 380.456 1.844 20 0 GDADMM C[C@@H](CNC(=O)CCCc1ccccc1)CNc1nccnc1-c1nn[n-]n1 ZINC001574918545 948850354 /nfs/dbraw/zinc/85/03/54/948850354.db2.gz NCMNTJCFMTZCBR-AWEZNQCLSA-N -1 1 380.456 1.844 20 0 GDADMM C[C@@H](CNC(=O)CCCc1cccs1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574918544 948850452 /nfs/dbraw/zinc/85/04/52/948850452.db2.gz MYQDCCZLLQVXNF-LBPRGKRZSA-N -1 1 386.485 1.682 20 0 GDADMM C[C@@H](CNC(=O)CCCc1cccs1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574918544 948850472 /nfs/dbraw/zinc/85/04/72/948850472.db2.gz MYQDCCZLLQVXNF-LBPRGKRZSA-N -1 1 386.485 1.682 20 0 GDADMM CC(C)c1nc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)cs1 ZINC001574424574 948853027 /nfs/dbraw/zinc/85/30/27/948853027.db2.gz QLCMYMSSYYVWBY-SNVBAGLBSA-N -1 1 385.457 1.245 20 0 GDADMM CC(C)c1nc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)cs1 ZINC001574424574 948853048 /nfs/dbraw/zinc/85/30/48/948853048.db2.gz QLCMYMSSYYVWBY-SNVBAGLBSA-N -1 1 385.457 1.245 20 0 GDADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)Cn1ccnc1 ZINC001574684104 948859187 /nfs/dbraw/zinc/85/91/87/948859187.db2.gz BWXUHPNHAQOYBQ-MRVPVSSYSA-N -1 1 381.853 1.180 20 0 GDADMM CC(C)(C(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1)C(F)(F)F ZINC001573763073 948863117 /nfs/dbraw/zinc/86/31/17/948863117.db2.gz ACYBHILMUCYFMQ-UHFFFAOYSA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)(C(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1)C(F)(F)F ZINC001573763073 948863130 /nfs/dbraw/zinc/86/31/30/948863130.db2.gz ACYBHILMUCYFMQ-UHFFFAOYSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)C[C@H]1CCOC1 ZINC001574684372 948866095 /nfs/dbraw/zinc/86/60/95/948866095.db2.gz DWCZMNDKGKADDD-RKDXNWHRSA-N -1 1 385.881 1.710 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)C[C@H]1CCOC1 ZINC001574684372 948866108 /nfs/dbraw/zinc/86/61/08/948866108.db2.gz DWCZMNDKGKADDD-RKDXNWHRSA-N -1 1 385.881 1.710 20 0 GDADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)c1csnn1 ZINC001574684410 948866856 /nfs/dbraw/zinc/86/68/56/948866856.db2.gz FSXDWAAQFJXOQB-YFKPBYRVSA-N -1 1 385.866 1.449 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccccc1 ZINC001573763423 948867778 /nfs/dbraw/zinc/86/77/78/948867778.db2.gz FASRMYACJSKUOR-AWEZNQCLSA-N -1 1 378.440 1.647 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccccc1 ZINC001573763423 948867794 /nfs/dbraw/zinc/86/77/94/948867794.db2.gz FASRMYACJSKUOR-AWEZNQCLSA-N -1 1 378.440 1.647 20 0 GDADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@@H]1CC1(F)F ZINC001574684552 948872793 /nfs/dbraw/zinc/87/27/93/948872793.db2.gz ICEQYJOAZUIZRS-WDSKDSINSA-N -1 1 377.808 1.939 20 0 GDADMM CC(C)(C(=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001573763948 948879509 /nfs/dbraw/zinc/87/95/09/948879509.db2.gz JDRDYXDNFCGOFF-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)(C(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001573763948 948879530 /nfs/dbraw/zinc/87/95/30/948879530.db2.gz JDRDYXDNFCGOFF-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM CC(F)(F)CC(=O)NC[C@@H]1CCCCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575233123 948884346 /nfs/dbraw/zinc/88/43/46/948884346.db2.gz HAQBHYUXFXBKIA-NSHDSACASA-N -1 1 380.403 1.567 20 0 GDADMM CC(F)(F)CC(=O)NC[C@@H]1CCCCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575233123 948884362 /nfs/dbraw/zinc/88/43/62/948884362.db2.gz HAQBHYUXFXBKIA-NSHDSACASA-N -1 1 380.403 1.567 20 0 GDADMM CC(C)(C(=O)N1CCC[C@H]2[C@H]1CCN2c1ccnc(-c2nn[n-]n2)n1)C(F)F ZINC001573764948 948893117 /nfs/dbraw/zinc/89/31/17/948893117.db2.gz SCTNXWMYSJKSRJ-WDEREUQCSA-N -1 1 392.414 1.518 20 0 GDADMM CC(C)c1ncc(C(=O)NC[C@@H](C)N(C)c2cncc(-c3nnn[n-]3)n2)s1 ZINC001574427222 948899244 /nfs/dbraw/zinc/89/92/44/948899244.db2.gz BQHHLLGHKGLOQF-SNVBAGLBSA-N -1 1 387.473 1.491 20 0 GDADMM CC(C)c1ncc(C(=O)NC[C@@H](C)N(C)c2cncc(-c3nn[n-]n3)n2)s1 ZINC001574427222 948899256 /nfs/dbraw/zinc/89/92/56/948899256.db2.gz BQHHLLGHKGLOQF-SNVBAGLBSA-N -1 1 387.473 1.491 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@H]2C1 ZINC001575235155 948913062 /nfs/dbraw/zinc/91/30/62/948913062.db2.gz TYWVJGJEVZFDAE-GRYCIOLGSA-N -1 1 392.414 1.423 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@H]2C1 ZINC001575235155 948913073 /nfs/dbraw/zinc/91/30/73/948913073.db2.gz TYWVJGJEVZFDAE-GRYCIOLGSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)c1ccnnc1 ZINC001574685662 948914580 /nfs/dbraw/zinc/91/45/80/948914580.db2.gz YOOBERUTMQIALL-SSDOTTSWSA-N -1 1 379.837 1.387 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)N1CCC(CCNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574088280 948916450 /nfs/dbraw/zinc/91/64/50/948916450.db2.gz AHUORHFTIXRFCG-GJZGRUSLSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)N1CCC(CCNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574088280 948916464 /nfs/dbraw/zinc/91/64/64/948916464.db2.gz AHUORHFTIXRFCG-GJZGRUSLSA-N -1 1 384.488 1.989 20 0 GDADMM CC(F)(F)CCC(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@@]2(C)C1 ZINC001575235170 948917026 /nfs/dbraw/zinc/91/70/26/948917026.db2.gz KIBVFHJVBDVNBL-BZNIZROVSA-N -1 1 392.414 1.377 20 0 GDADMM CC(F)(F)CCC(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@@]2(C)C1 ZINC001575235170 948917045 /nfs/dbraw/zinc/91/70/45/948917045.db2.gz KIBVFHJVBDVNBL-BZNIZROVSA-N -1 1 392.414 1.377 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CCC(C)(F)F ZINC001575235490 948918242 /nfs/dbraw/zinc/91/82/42/948918242.db2.gz MQPLLUHFSODEHH-SNVBAGLBSA-N -1 1 382.419 1.457 20 0 GDADMM CC(C)(C(=O)N1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)CC1)C(F)F ZINC001573765656 948920586 /nfs/dbraw/zinc/92/05/86/948920586.db2.gz VSGAHMSTOOWVDA-UHFFFAOYSA-N -1 1 391.835 1.917 20 0 GDADMM CC(C)(C(=O)N1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)CC1)C(F)F ZINC001573765656 948920597 /nfs/dbraw/zinc/92/05/97/948920597.db2.gz VSGAHMSTOOWVDA-UHFFFAOYSA-N -1 1 391.835 1.917 20 0 GDADMM CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573765799 948922741 /nfs/dbraw/zinc/92/27/41/948922741.db2.gz IBYLSHKAJAWODG-KBPBESRZSA-N -1 1 382.472 1.663 20 0 GDADMM CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573765799 948922750 /nfs/dbraw/zinc/92/27/50/948922750.db2.gz IBYLSHKAJAWODG-KBPBESRZSA-N -1 1 382.472 1.663 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575235789 948924989 /nfs/dbraw/zinc/92/49/89/948924989.db2.gz QLAYPAMXBIXDIK-NSHDSACASA-N -1 1 380.403 1.743 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575235789 948925002 /nfs/dbraw/zinc/92/50/02/948925002.db2.gz QLAYPAMXBIXDIK-NSHDSACASA-N -1 1 380.403 1.743 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@]2(C)C1)C1CC1 ZINC001573765818 948928110 /nfs/dbraw/zinc/92/81/10/948928110.db2.gz KJQQOLIDQWQKOE-YJYMSZOUSA-N -1 1 382.472 1.378 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@]2(C)C1)C1CC1 ZINC001573765818 948928130 /nfs/dbraw/zinc/92/81/30/948928130.db2.gz KJQQOLIDQWQKOE-YJYMSZOUSA-N -1 1 382.472 1.378 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@@]2(C)C1)C1CC1 ZINC001573766070 948933563 /nfs/dbraw/zinc/93/35/63/948933563.db2.gz XRHPJRCXDNDXDM-YJYMSZOUSA-N -1 1 382.472 1.378 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@@]2(C)C1)C1CC1 ZINC001573766070 948933566 /nfs/dbraw/zinc/93/35/66/948933566.db2.gz XRHPJRCXDNDXDM-YJYMSZOUSA-N -1 1 382.472 1.378 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)C1CCC1 ZINC001573771698 948945148 /nfs/dbraw/zinc/94/51/48/948945148.db2.gz LBMBFFDNDMSCCM-TZMCWYRMSA-N -1 1 384.488 1.602 20 0 GDADMM CC(C)(C(=O)N[C@H]1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)C(F)F ZINC001573772280 948955221 /nfs/dbraw/zinc/95/52/21/948955221.db2.gz SFQWKZGALHPUFQ-UWVGGRQHSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C(=O)N[C@H]1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)C(F)F ZINC001573772280 948955230 /nfs/dbraw/zinc/95/52/30/948955230.db2.gz SFQWKZGALHPUFQ-UWVGGRQHSA-N -1 1 380.403 1.645 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001575239833 948963980 /nfs/dbraw/zinc/96/39/80/948963980.db2.gz VVBVKLZYDOLITE-TUAOUCFPSA-N -1 1 392.414 1.566 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575239820 948965351 /nfs/dbraw/zinc/96/53/51/948965351.db2.gz VNXVQUUNPFOYPN-GHMZBOCLSA-N -1 1 380.403 1.931 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575239820 948965361 /nfs/dbraw/zinc/96/53/61/948965361.db2.gz VNXVQUUNPFOYPN-GHMZBOCLSA-N -1 1 380.403 1.931 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001575239917 948966136 /nfs/dbraw/zinc/96/61/36/948966136.db2.gz XZOPISGEUZKNPY-MNOVXSKESA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001575239917 948966145 /nfs/dbraw/zinc/96/61/45/948966145.db2.gz XZOPISGEUZKNPY-MNOVXSKESA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001575240098 948966444 /nfs/dbraw/zinc/96/64/44/948966444.db2.gz ZAHKLHYAROIELH-QWRGUYRKSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001575240098 948966456 /nfs/dbraw/zinc/96/64/56/948966456.db2.gz ZAHKLHYAROIELH-QWRGUYRKSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CCC(=O)NC1CC2(C1)CC(Nc1ccnc(-c3nn[n-]n3)n1)C2 ZINC001575240084 948967050 /nfs/dbraw/zinc/96/70/50/948967050.db2.gz YTYDOESJWRUNPK-UHFFFAOYSA-N -1 1 392.414 1.353 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C1CCC1 ZINC001573772910 948970817 /nfs/dbraw/zinc/97/08/17/948970817.db2.gz YIEKRZHGKSMAAX-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C1CCC1 ZINC001573772910 948970829 /nfs/dbraw/zinc/97/08/29/948970829.db2.gz YIEKRZHGKSMAAX-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CCCC[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001575240120 948972083 /nfs/dbraw/zinc/97/20/83/948972083.db2.gz ZPLXIYHZXWCCKO-GHMZBOCLSA-N -1 1 380.403 1.931 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CCCC[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001575240120 948972091 /nfs/dbraw/zinc/97/20/91/948972091.db2.gz ZPLXIYHZXWCCKO-GHMZBOCLSA-N -1 1 380.403 1.931 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)C(C)(C)[C@H]1CCCCO1 ZINC001574688911 948973424 /nfs/dbraw/zinc/97/34/24/948973424.db2.gz BYRNGIYPWOFDBO-QWHCGFSZSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)C(C)(C)[C@H]1CCCCO1 ZINC001574688911 948973431 /nfs/dbraw/zinc/97/34/31/948973431.db2.gz BYRNGIYPWOFDBO-QWHCGFSZSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)NC1(CNc2cnc(-c3nnn[n-]3)cn2)CCOCC1 ZINC001574090034 948976290 /nfs/dbraw/zinc/97/62/90/948976290.db2.gz HKLVIRVIYWTPNI-OLZOCXBDSA-N -1 1 386.460 1.026 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)NC1(CNc2cnc(-c3nn[n-]n3)cn2)CCOCC1 ZINC001574090034 948976295 /nfs/dbraw/zinc/97/62/95/948976295.db2.gz HKLVIRVIYWTPNI-OLZOCXBDSA-N -1 1 386.460 1.026 20 0 GDADMM CC(C)[C@@H]1C[C@H](C(=O)NCC2(Nc3cnc(-c4nnn[n-]4)cn3)CC2)CCO1 ZINC001574090367 948985847 /nfs/dbraw/zinc/98/58/47/948985847.db2.gz IYTCEFBQFKULLX-OCCSQVGLSA-N -1 1 386.460 1.169 20 0 GDADMM CC(C)[C@@H]1C[C@H](C(=O)NCC2(Nc3cnc(-c4nn[n-]n4)cn3)CC2)CCO1 ZINC001574090367 948985856 /nfs/dbraw/zinc/98/58/56/948985856.db2.gz IYTCEFBQFKULLX-OCCSQVGLSA-N -1 1 386.460 1.169 20 0 GDADMM CC(C)(C(=O)NC[C@H](O)CNc1nc(Cl)c(-c2nnn[n-]2)s1)C1CC1 ZINC001573774090 948999108 /nfs/dbraw/zinc/99/91/08/948999108.db2.gz JXNODNUBWVZRPX-QMMMGPOBSA-N -1 1 385.881 1.302 20 0 GDADMM CC(C)(C(=O)NC[C@H](O)CNc1nc(Cl)c(-c2nn[n-]n2)s1)C1CC1 ZINC001573774090 948999124 /nfs/dbraw/zinc/99/91/24/948999124.db2.gz JXNODNUBWVZRPX-QMMMGPOBSA-N -1 1 385.881 1.302 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)C(C)(C)c1cccnc1 ZINC001574690904 949006739 /nfs/dbraw/zinc/00/67/39/949006739.db2.gz RRGHZLGVVOLBQZ-GFCCVEGCSA-N -1 1 381.444 1.336 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)C(C)(C)c1cccnc1 ZINC001574690904 949006754 /nfs/dbraw/zinc/00/67/54/949006754.db2.gz RRGHZLGVVOLBQZ-GFCCVEGCSA-N -1 1 381.444 1.336 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CCCCC1(F)F ZINC001574691276 949014498 /nfs/dbraw/zinc/01/44/98/949014498.db2.gz VZAFKCBIYKJVIY-MNOVXSKESA-N -1 1 380.403 1.789 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CCCCC1(F)F ZINC001574691276 949014514 /nfs/dbraw/zinc/01/45/14/949014514.db2.gz VZAFKCBIYKJVIY-MNOVXSKESA-N -1 1 380.403 1.789 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CCCCC1(F)F ZINC001574691278 949018191 /nfs/dbraw/zinc/01/81/91/949018191.db2.gz VZAFKCBIYKJVIY-WDEREUQCSA-N -1 1 380.403 1.789 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CCCCC1(F)F ZINC001574691278 949018217 /nfs/dbraw/zinc/01/82/17/949018217.db2.gz VZAFKCBIYKJVIY-WDEREUQCSA-N -1 1 380.403 1.789 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@H]1CCCC1(F)F ZINC001574691311 949019721 /nfs/dbraw/zinc/01/97/21/949019721.db2.gz WOVNBTKFYKTQKC-GHMZBOCLSA-N -1 1 380.403 1.789 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@H]1CCCC1(F)F ZINC001574691311 949019746 /nfs/dbraw/zinc/01/97/46/949019746.db2.gz WOVNBTKFYKTQKC-GHMZBOCLSA-N -1 1 380.403 1.789 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cccc(N(C)C)c1 ZINC001574693159 949052068 /nfs/dbraw/zinc/05/20/68/949052068.db2.gz BECVJVMNTQFPHG-GFCCVEGCSA-N -1 1 381.444 1.343 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cccc(N(C)C)c1 ZINC001574693159 949052092 /nfs/dbraw/zinc/05/20/92/949052092.db2.gz BECVJVMNTQFPHG-GFCCVEGCSA-N -1 1 381.444 1.343 20 0 GDADMM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)c1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001575503877 949055358 /nfs/dbraw/zinc/05/53/58/949055358.db2.gz MXJZXGHQJMHZCH-NXEZZACHSA-N -1 1 389.847 1.536 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)c1ccccn1 ZINC001574694081 949062398 /nfs/dbraw/zinc/06/23/98/949062398.db2.gz KMBIHRDGHOLRFE-QMMMGPOBSA-N -1 1 378.849 1.992 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)c1ccccn1 ZINC001574694081 949062416 /nfs/dbraw/zinc/06/24/16/949062416.db2.gz KMBIHRDGHOLRFE-QMMMGPOBSA-N -1 1 378.849 1.992 20 0 GDADMM CC(C)(C(=O)NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C(F)F ZINC001573779504 949064476 /nfs/dbraw/zinc/06/44/76/949064476.db2.gz KFNXHBFLJKOZOT-UHFFFAOYSA-N -1 1 380.403 1.281 20 0 GDADMM CC(C)(C(=O)NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001573779665 949068964 /nfs/dbraw/zinc/06/89/64/949068964.db2.gz LQYXHIZMYCHWBH-UHFFFAOYSA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)(C(=O)NCC1CC(Nc2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573779665 949068983 /nfs/dbraw/zinc/06/89/83/949068983.db2.gz LQYXHIZMYCHWBH-UHFFFAOYSA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)C(F)F ZINC001573780093 949080180 /nfs/dbraw/zinc/08/01/80/949080180.db2.gz RGPINEMDYMKKFU-SNVBAGLBSA-N -1 1 380.403 1.281 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)C(F)F ZINC001573780093 949080201 /nfs/dbraw/zinc/08/02/01/949080201.db2.gz RGPINEMDYMKKFU-SNVBAGLBSA-N -1 1 380.403 1.281 20 0 GDADMM CC(C)c1nocc1C(=O)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574442693 949101392 /nfs/dbraw/zinc/10/13/92/949101392.db2.gz QRHUPVOBGKRLSM-NSHDSACASA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1nocc1C(=O)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574442693 949101399 /nfs/dbraw/zinc/10/13/99/949101399.db2.gz QRHUPVOBGKRLSM-NSHDSACASA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1nocc1C(=O)NCCN(c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001574443087 949104059 /nfs/dbraw/zinc/10/40/59/949104059.db2.gz UZNHPDBEUOSCEZ-UHFFFAOYSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1nocc1C(=O)NCCN(c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001574443087 949104067 /nfs/dbraw/zinc/10/40/67/949104067.db2.gz UZNHPDBEUOSCEZ-UHFFFAOYSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1ncncc1C(=O)N[C@@H](C)CCNc1nccnc1-c1nnn[n-]1 ZINC001574695357 949107591 /nfs/dbraw/zinc/10/75/91/949107591.db2.gz GGWJPQYVWQSUPH-NSHDSACASA-N -1 1 382.432 1.191 20 0 GDADMM CC(C)c1ncncc1C(=O)N[C@@H](C)CCNc1nccnc1-c1nn[n-]n1 ZINC001574695357 949107601 /nfs/dbraw/zinc/10/76/01/949107601.db2.gz GGWJPQYVWQSUPH-NSHDSACASA-N -1 1 382.432 1.191 20 0 GDADMM CC(C)c1ocnc1C(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574446800 949138232 /nfs/dbraw/zinc/13/82/32/949138232.db2.gz WTTCEXSRLSKZAY-GHMZBOCLSA-N -1 1 383.416 1.341 20 0 GDADMM CC(C)c1ocnc1C(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574446800 949138250 /nfs/dbraw/zinc/13/82/50/949138250.db2.gz WTTCEXSRLSKZAY-GHMZBOCLSA-N -1 1 383.416 1.341 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCCC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1)C(F)F ZINC001573782857 949138317 /nfs/dbraw/zinc/13/83/17/949138317.db2.gz LRFFALOQEUAADR-NXEZZACHSA-N -1 1 380.403 1.787 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCCC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1)C(F)F ZINC001573782857 949138332 /nfs/dbraw/zinc/13/83/32/949138332.db2.gz LRFFALOQEUAADR-NXEZZACHSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@H](CNC(=O)COc1ccc(F)cc1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574933981 949147003 /nfs/dbraw/zinc/14/70/03/949147003.db2.gz AHEHAEIEMPXLPM-NSHDSACASA-N -1 1 386.391 1.039 20 0 GDADMM C[C@H](CNC(=O)COc1ccc(F)cc1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574933981 949147012 /nfs/dbraw/zinc/14/70/12/949147012.db2.gz AHEHAEIEMPXLPM-NSHDSACASA-N -1 1 386.391 1.039 20 0 GDADMM CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1)C(F)F ZINC001573787265 949170443 /nfs/dbraw/zinc/17/04/43/949170443.db2.gz UQLTWYWXCDUUNN-IEBDPFPHSA-N -1 1 378.387 1.174 20 0 GDADMM CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1)C(F)F ZINC001573787265 949170461 /nfs/dbraw/zinc/17/04/61/949170461.db2.gz UQLTWYWXCDUUNN-IEBDPFPHSA-N -1 1 378.387 1.174 20 0 GDADMM C[C@@H](CNC(=O)COc1ccccc1Cl)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574934682 949172088 /nfs/dbraw/zinc/17/20/88/949172088.db2.gz NYNJJSFIMWHDKP-JTQLQIEISA-N -1 1 388.819 1.306 20 0 GDADMM C[C@@H](CNC(=O)COc1ccccc1Cl)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574934682 949172098 /nfs/dbraw/zinc/17/20/98/949172098.db2.gz NYNJJSFIMWHDKP-JTQLQIEISA-N -1 1 388.819 1.306 20 0 GDADMM C[C@@H](NC(=O)C1(F)CCCC1)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575252795 949172209 /nfs/dbraw/zinc/17/22/09/949172209.db2.gz HMAQSGYRCZPHCO-OLZOCXBDSA-N -1 1 388.451 1.660 20 0 GDADMM C[C@H](NC(=O)C1(c2ccccn2)CC1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575254087 949192764 /nfs/dbraw/zinc/19/27/64/949192764.db2.gz LLGMVFSTYZITAT-RYUDHWBXSA-N -1 1 379.428 1.089 20 0 GDADMM C[C@H](NC(=O)C1(c2ccccn2)CC1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575254087 949192756 /nfs/dbraw/zinc/19/27/56/949192756.db2.gz LLGMVFSTYZITAT-RYUDHWBXSA-N -1 1 379.428 1.089 20 0 GDADMM C[C@@H](C(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1)c1cccc(F)c1 ZINC001574698592 949200032 /nfs/dbraw/zinc/20/00/32/949200032.db2.gz MXWFXFQHEIFRKZ-NWDGAFQWSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@@H](C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1)c1cccc(F)c1 ZINC001574698592 949200039 /nfs/dbraw/zinc/20/00/39/949200039.db2.gz MXWFXFQHEIFRKZ-NWDGAFQWSA-N -1 1 384.419 1.858 20 0 GDADMM CC(C)c1oncc1C(=O)NC1CC(CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574449437 949203189 /nfs/dbraw/zinc/20/31/89/949203189.db2.gz SEJCCFIUPRQJQY-UHFFFAOYSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1oncc1C(=O)NC1CC(CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574449437 949203208 /nfs/dbraw/zinc/20/32/08/949203208.db2.gz SEJCCFIUPRQJQY-UHFFFAOYSA-N -1 1 383.416 1.389 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(F)c(F)c1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574935775 949204188 /nfs/dbraw/zinc/20/41/88/949204188.db2.gz GHFXXPKIBGEHHL-SNVBAGLBSA-N -1 1 388.382 1.119 20 0 GDADMM CC(C)CC(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1cnc(-c2nnn[n-]2)cn1 ZINC001574102726 949206025 /nfs/dbraw/zinc/20/60/25/949206025.db2.gz ACYDQZSPFBOGSV-AYDFFVQHSA-N -1 1 382.472 1.376 20 0 GDADMM CC(C)CC(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1cnc(-c2nn[n-]n2)cn1 ZINC001574102726 949206043 /nfs/dbraw/zinc/20/60/43/949206043.db2.gz ACYDQZSPFBOGSV-AYDFFVQHSA-N -1 1 382.472 1.376 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H](C)c1ccccc1F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574698816 949208933 /nfs/dbraw/zinc/20/89/33/949208933.db2.gz OWEJHMPTTISWHJ-VXGBXAGGSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H](C)c1ccccc1F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574698816 949208956 /nfs/dbraw/zinc/20/89/56/949208956.db2.gz OWEJHMPTTISWHJ-VXGBXAGGSA-N -1 1 384.419 1.858 20 0 GDADMM CC(C)c1oncc1C(=O)N(C)C1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574450296 949210495 /nfs/dbraw/zinc/21/04/95/949210495.db2.gz ZOPAAWPPDYJIPB-UHFFFAOYSA-N -1 1 383.416 1.483 20 0 GDADMM CC(C)c1oncc1C(=O)N(C)C1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574450296 949210514 /nfs/dbraw/zinc/21/05/14/949210514.db2.gz ZOPAAWPPDYJIPB-UHFFFAOYSA-N -1 1 383.416 1.483 20 0 GDADMM CC1(Nc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CC1 ZINC001575853239 949211554 /nfs/dbraw/zinc/21/15/54/949211554.db2.gz NSKZYUAXYNSLOY-VIKVFOODSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(Nc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CC1 ZINC001575853239 949211577 /nfs/dbraw/zinc/21/15/77/949211577.db2.gz NSKZYUAXYNSLOY-VIKVFOODSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(F)c(Cl)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001574936152 949211732 /nfs/dbraw/zinc/21/17/32/949211732.db2.gz HSZMYCAFNNERCN-VIFPVBQESA-N -1 1 390.810 1.609 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(F)c(Cl)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001574936152 949211756 /nfs/dbraw/zinc/21/17/56/949211756.db2.gz HSZMYCAFNNERCN-VIFPVBQESA-N -1 1 390.810 1.609 20 0 GDADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)C(C)(C)c1ccccc1 ZINC001575254762 949216957 /nfs/dbraw/zinc/21/69/57/949216957.db2.gz XOEGMRNFWSRWPD-OLZOCXBDSA-N -1 1 380.456 1.940 20 0 GDADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)C(C)(C)c1ccccc1 ZINC001575254762 949216971 /nfs/dbraw/zinc/21/69/71/949216971.db2.gz XOEGMRNFWSRWPD-OLZOCXBDSA-N -1 1 380.456 1.940 20 0 GDADMM CC(C)c1scnc1C(=O)NCCCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574451144 949218319 /nfs/dbraw/zinc/21/83/19/949218319.db2.gz DNYAVCIJVFRQOR-UHFFFAOYSA-N -1 1 387.473 1.493 20 0 GDADMM CC(C)c1scnc1C(=O)NCCCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574451144 949218331 /nfs/dbraw/zinc/21/83/31/949218331.db2.gz DNYAVCIJVFRQOR-UHFFFAOYSA-N -1 1 387.473 1.493 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(F)cc1F)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574937367 949226489 /nfs/dbraw/zinc/22/64/89/949226489.db2.gz OVFSOLZASFLJKU-SNVBAGLBSA-N -1 1 388.382 1.119 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(F)cc1F)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574937367 949226507 /nfs/dbraw/zinc/22/65/07/949226507.db2.gz OVFSOLZASFLJKU-SNVBAGLBSA-N -1 1 388.382 1.119 20 0 GDADMM CC(C)c1scnc1C(=O)N(C)[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574451354 949230227 /nfs/dbraw/zinc/23/02/27/949230227.db2.gz NYFDHFFKFOCRFX-JTQLQIEISA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)c1scnc1C(=O)N(C)[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574451354 949230240 /nfs/dbraw/zinc/23/02/40/949230240.db2.gz NYFDHFFKFOCRFX-JTQLQIEISA-N -1 1 387.473 1.809 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(Cl)c(F)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574937670 949230652 /nfs/dbraw/zinc/23/06/52/949230652.db2.gz PLRBFHNUAOXKRQ-SECBINFHSA-N -1 1 390.810 1.609 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(Cl)c(F)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574937670 949230674 /nfs/dbraw/zinc/23/06/74/949230674.db2.gz PLRBFHNUAOXKRQ-SECBINFHSA-N -1 1 390.810 1.609 20 0 GDADMM CC(C)c1oncc1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001574451371 949233897 /nfs/dbraw/zinc/23/38/97/949233897.db2.gz OEFQIUCDCBUVRS-ZYHUDNBSSA-N -1 1 383.416 1.023 20 0 GDADMM C[C@@H](NC(=O)C12CC(C(C)(C)C)(C1)C2)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575255583 949239239 /nfs/dbraw/zinc/23/92/39/949239239.db2.gz RDBXGPKAHDMBRN-TYGXQLQZSA-N -1 1 384.488 1.600 20 0 GDADMM C[C@@H](NC(=O)C1(C)CCCC1)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575256129 949242556 /nfs/dbraw/zinc/24/25/56/949242556.db2.gz SUIVBAPNSHKOIB-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](NC(=O)C1(C)CCCC1)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575256129 949242574 /nfs/dbraw/zinc/24/25/74/949242574.db2.gz SUIVBAPNSHKOIB-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CNC(=O)Cc1c(F)cccc1Cl)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574938753 949252085 /nfs/dbraw/zinc/25/20/85/949252085.db2.gz ZZFOTRHAGRRTIL-VIFPVBQESA-N -1 1 390.810 1.609 20 0 GDADMM C[C@@H](CNC(=O)Cc1c(F)cccc1Cl)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574938753 949252108 /nfs/dbraw/zinc/25/21/08/949252108.db2.gz ZZFOTRHAGRRTIL-VIFPVBQESA-N -1 1 390.810 1.609 20 0 GDADMM CC1(c2ccccc2C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001575856891 949257163 /nfs/dbraw/zinc/25/71/63/949257163.db2.gz LCCVIXFLCABSLS-CYBMUJFWSA-N -1 1 390.451 1.717 20 0 GDADMM CC1(c2ccccc2C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001575856891 949257178 /nfs/dbraw/zinc/25/71/78/949257178.db2.gz LCCVIXFLCABSLS-CYBMUJFWSA-N -1 1 390.451 1.717 20 0 GDADMM CC1(c2ccccc2C(=O)N2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)CC1 ZINC001575857153 949258464 /nfs/dbraw/zinc/25/84/64/949258464.db2.gz OVRGNISWOCXJOC-UHFFFAOYSA-N -1 1 390.451 1.671 20 0 GDADMM CC(C)(C)C(=O)N1CCC2(CC1)CCN(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001573792722 949262368 /nfs/dbraw/zinc/26/23/68/949262368.db2.gz UOOLNLVWCYFICV-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)(C)C(=O)N1CCC2(CC1)CCN(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001573792722 949262387 /nfs/dbraw/zinc/26/23/87/949262387.db2.gz UOOLNLVWCYFICV-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)Cc2cccs2)CC1 ZINC001575857429 949267407 /nfs/dbraw/zinc/26/74/07/949267407.db2.gz QNMGEURFCLVWFX-UHFFFAOYSA-N -1 1 384.469 1.754 20 0 GDADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)Cc2cccs2)CC1 ZINC001575857429 949267428 /nfs/dbraw/zinc/26/74/28/949267428.db2.gz QNMGEURFCLVWFX-UHFFFAOYSA-N -1 1 384.469 1.754 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(C2CC2)c1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574940736 949271109 /nfs/dbraw/zinc/27/11/09/949271109.db2.gz JLDZMWKLXSHMTM-ZDUSSCGKSA-N -1 1 392.467 1.718 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(C2CC2)c1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574940736 949271131 /nfs/dbraw/zinc/27/11/31/949271131.db2.gz JLDZMWKLXSHMTM-ZDUSSCGKSA-N -1 1 392.467 1.718 20 0 GDADMM C[C@H](NC(=O)C1CC(C)(C)C1)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575257576 949279077 /nfs/dbraw/zinc/27/90/77/949279077.db2.gz AUPWROZDKRBDOD-STQMWFEESA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](NC(=O)C1CC(C)(C)C1)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575257576 949279098 /nfs/dbraw/zinc/27/90/98/949279098.db2.gz AUPWROZDKRBDOD-STQMWFEESA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](CN(C)C(=O)C1(C(F)F)CCCC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574702766 949292536 /nfs/dbraw/zinc/29/25/36/949292536.db2.gz LMOMMLROXGKHEE-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CN(C)C(=O)C1(C(F)F)CCCC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574702766 949292567 /nfs/dbraw/zinc/29/25/67/949292567.db2.gz LMOMMLROXGKHEE-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@]1(F)CCOC1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574702774 949295378 /nfs/dbraw/zinc/29/53/78/949295378.db2.gz LOVYQVMVWCLPFC-WPPNPWJKSA-N -1 1 389.844 1.364 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@]1(F)CCOC1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574702774 949295395 /nfs/dbraw/zinc/29/53/95/949295395.db2.gz LOVYQVMVWCLPFC-WPPNPWJKSA-N -1 1 389.844 1.364 20 0 GDADMM CC1(C(=O)N(CCNc2ccc(-c3nnn[n-]3)nn2)Cc2ccccc2)CC1 ZINC001575523557 949296244 /nfs/dbraw/zinc/29/62/44/949296244.db2.gz CFFUJKNFYSQUGP-UHFFFAOYSA-N -1 1 378.440 1.898 20 0 GDADMM CC1(C(=O)N(CCNc2ccc(-c3nn[n-]n3)nn2)Cc2ccccc2)CC1 ZINC001575523557 949296262 /nfs/dbraw/zinc/29/62/62/949296262.db2.gz CFFUJKNFYSQUGP-UHFFFAOYSA-N -1 1 378.440 1.898 20 0 GDADMM C[C@@H]1CCC[C@@H](C(=O)N(C)C2CCN(c3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001576153857 949298793 /nfs/dbraw/zinc/29/87/93/949298793.db2.gz NMGQQBHYYCDTHI-ZIAGYGMSSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCC[C@@H](C(=O)N(C)C2CCN(c3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001576153857 949298809 /nfs/dbraw/zinc/29/88/09/949298809.db2.gz NMGQQBHYYCDTHI-ZIAGYGMSSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CC(=O)N1CCCC[C@H]1[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574108832 949303488 /nfs/dbraw/zinc/30/34/88/949303488.db2.gz RSEQHNBQQDMLGR-HOCLYGCPSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CC(=O)N1CCCC[C@H]1[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574108832 949303513 /nfs/dbraw/zinc/30/35/13/949303513.db2.gz RSEQHNBQQDMLGR-HOCLYGCPSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc2c(c1)CCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574941428 949307655 /nfs/dbraw/zinc/30/76/55/949307655.db2.gz QKSCPCUDDALZPZ-GFCCVEGCSA-N -1 1 378.440 1.305 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc2c(c1)CCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574941428 949307680 /nfs/dbraw/zinc/30/76/80/949307680.db2.gz QKSCPCUDDALZPZ-GFCCVEGCSA-N -1 1 378.440 1.305 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H](c1ccccc1)C1CC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574703135 949313613 /nfs/dbraw/zinc/31/36/13/949313613.db2.gz RKSXQIPFHURMIW-CXAGYDPISA-N -1 1 392.467 1.531 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(Cl)c1F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574941839 949321632 /nfs/dbraw/zinc/32/16/32/949321632.db2.gz UASODQZHPGQTND-VIFPVBQESA-N -1 1 390.810 1.609 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(Cl)c1F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574941839 949321653 /nfs/dbraw/zinc/32/16/53/949321653.db2.gz UASODQZHPGQTND-VIFPVBQESA-N -1 1 390.810 1.609 20 0 GDADMM CC(C)(C)C(=O)N1CSC[C@H]1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001573796576 949336436 /nfs/dbraw/zinc/33/64/36/949336436.db2.gz SWYNKOSVFQINRE-JTQLQIEISA-N -1 1 380.499 1.492 20 0 GDADMM CC(C)n1ccc(C(=O)N[C@@H](CNc2nccnc2-c2nnn[n-]2)C2CC2)n1 ZINC001574458325 949341141 /nfs/dbraw/zinc/34/11/41/949341141.db2.gz SOIVXCLVXHZNCF-ZDUSSCGKSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1ccc(C(=O)N[C@@H](CNc2nccnc2-c2nn[n-]n2)C2CC2)n1 ZINC001574458325 949341163 /nfs/dbraw/zinc/34/11/63/949341163.db2.gz SOIVXCLVXHZNCF-ZDUSSCGKSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1ccc(C(=O)NC[C@H](Nc2nccnc2-c2nnn[n-]2)C2CC2)n1 ZINC001574458624 949342212 /nfs/dbraw/zinc/34/22/12/949342212.db2.gz UQTFWMDZSYSCPV-ZDUSSCGKSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1ccc(C(=O)NC[C@H](Nc2nccnc2-c2nn[n-]n2)C2CC2)n1 ZINC001574458624 949342231 /nfs/dbraw/zinc/34/22/31/949342231.db2.gz UQTFWMDZSYSCPV-ZDUSSCGKSA-N -1 1 382.432 1.055 20 0 GDADMM CC1(C(=O)N(CCNc2ccnc(-c3nn[n-]n3)n2)Cc2ccccc2)CC1 ZINC001575525508 949344733 /nfs/dbraw/zinc/34/47/33/949344733.db2.gz OXXXASAUMNNSSL-UHFFFAOYSA-N -1 1 378.440 1.319 20 0 GDADMM C[C@@H](CNC(=O)Cc1cnoc1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574944342 949384871 /nfs/dbraw/zinc/38/48/71/949384871.db2.gz ANARNKOCFUOLAM-ZETCQYMHSA-N -1 1 382.837 1.148 20 0 GDADMM C[C@@H](CNC(=O)Cc1cnoc1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574944342 949384891 /nfs/dbraw/zinc/38/48/91/949384891.db2.gz ANARNKOCFUOLAM-ZETCQYMHSA-N -1 1 382.837 1.148 20 0 GDADMM CC(C)n1cccc1C(=O)N1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574463801 949384852 /nfs/dbraw/zinc/38/48/52/949384852.db2.gz BCWGALODBOWQRD-CYBMUJFWSA-N -1 1 381.444 1.390 20 0 GDADMM CC(C)n1cccc1C(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574463801 949384872 /nfs/dbraw/zinc/38/48/72/949384872.db2.gz BCWGALODBOWQRD-CYBMUJFWSA-N -1 1 381.444 1.390 20 0 GDADMM C[C@@H](NC(=O)C1CCOCC1)[C@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001575262785 949385018 /nfs/dbraw/zinc/38/50/18/949385018.db2.gz CCGQTMYPCPWLMT-SFYZADRCSA-N -1 1 385.881 1.708 20 0 GDADMM C[C@@H](NC(=O)C1CCOCC1)[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575262785 949385042 /nfs/dbraw/zinc/38/50/42/949385042.db2.gz CCGQTMYPCPWLMT-SFYZADRCSA-N -1 1 385.881 1.708 20 0 GDADMM C[C@@H]1CCC[C@@H](C(=O)NCC2(O)CN(Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001576155124 949385816 /nfs/dbraw/zinc/38/58/16/949385816.db2.gz SZRYFAQIQWVYHA-CHWSQXEVSA-N -1 1 390.513 1.417 20 0 GDADMM C[C@H]1C(=O)Nc2ccccc2CN1S(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001575866184 949396291 /nfs/dbraw/zinc/39/62/91/949396291.db2.gz PWSTYTVLETXDST-VIFPVBQESA-N -1 1 390.450 1.460 20 0 GDADMM C[C@H]1C(=O)Nc2ccccc2CN1S(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001575866184 949396313 /nfs/dbraw/zinc/39/63/13/949396313.db2.gz PWSTYTVLETXDST-VIFPVBQESA-N -1 1 390.450 1.460 20 0 GDADMM C[C@H]1CCCC[C@H]1C(=O)N(C)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576155320 949397714 /nfs/dbraw/zinc/39/77/14/949397714.db2.gz IBAYIQLDFKLHPX-DZGCQCFKSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](CNC(=O)Cc1cncs1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574945556 949414276 /nfs/dbraw/zinc/41/42/76/949414276.db2.gz MGIMADBPWPSBOY-ZCFIWIBFSA-N -1 1 384.878 1.592 20 0 GDADMM C[C@@H](CNC(=O)Cc1cncs1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574945555 949416067 /nfs/dbraw/zinc/41/60/67/949416067.db2.gz MGIMADBPWPSBOY-LURJTMIESA-N -1 1 384.878 1.592 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1CCCCC1(F)F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574705332 949422149 /nfs/dbraw/zinc/42/21/49/949422149.db2.gz IBCWHGVUVMJVBZ-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1CCCCC1(F)F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574705332 949422160 /nfs/dbraw/zinc/42/21/60/949422160.db2.gz IBCWHGVUVMJVBZ-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM CC1=CC[C@@](C)(C(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575866963 949423462 /nfs/dbraw/zinc/42/34/62/949423462.db2.gz WERKPYDHRNVGFD-CKFHNAJUSA-N -1 1 380.456 1.583 20 0 GDADMM CC1=CC[C@@](C)(C(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575866963 949423470 /nfs/dbraw/zinc/42/34/70/949423470.db2.gz WERKPYDHRNVGFD-CKFHNAJUSA-N -1 1 380.456 1.583 20 0 GDADMM CC1(C(=O)N2CCC(N(CC3CC3)c3ccc(-c4nnn[n-]4)nn3)CC2)CC1 ZINC001575534806 949431837 /nfs/dbraw/zinc/43/18/37/949431837.db2.gz PYPMVXYAJGJRQF-UHFFFAOYSA-N -1 1 382.472 1.664 20 0 GDADMM CC1(C(=O)N2CCC(N(CC3CC3)c3ccc(-c4nn[n-]n4)nn3)CC2)CC1 ZINC001575534806 949431849 /nfs/dbraw/zinc/43/18/49/949431849.db2.gz PYPMVXYAJGJRQF-UHFFFAOYSA-N -1 1 382.472 1.664 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574465620 949439770 /nfs/dbraw/zinc/43/97/70/949439770.db2.gz SVFSBRHAGIPDOG-ZDUSSCGKSA-N -1 1 381.444 1.438 20 0 GDADMM C[C@H]1CCC[C@@H](OCC(=O)N(C)CCN(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001576156476 949444145 /nfs/dbraw/zinc/44/41/45/949444145.db2.gz YQIVDJCJQIDICW-UONOGXRCSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@H]1CCC[C@@H](OCC(=O)N(C)CCN(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001576156476 949444167 /nfs/dbraw/zinc/44/41/67/949444167.db2.gz YQIVDJCJQIDICW-UONOGXRCSA-N -1 1 388.476 1.147 20 0 GDADMM CC1(C(=O)N2CCC(OCCCNc3cnc(-c4nnn[n-]4)cn3)CC2)CC1 ZINC001575535784 949457371 /nfs/dbraw/zinc/45/73/71/949457371.db2.gz BDBPGCBBOINOKI-UHFFFAOYSA-N -1 1 386.460 1.266 20 0 GDADMM CC1(C(=O)N2CCC(OCCCNc3cnc(-c4nn[n-]n4)cn3)CC2)CC1 ZINC001575535784 949457380 /nfs/dbraw/zinc/45/73/80/949457380.db2.gz BDBPGCBBOINOKI-UHFFFAOYSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1nccnc1-c1nnn[n-]1)NC(=O)CCCF ZINC001576157053 949467042 /nfs/dbraw/zinc/46/70/42/949467042.db2.gz OVSFXAKGMUYOFP-SJKOYZFVSA-N -1 1 376.440 1.883 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1nccnc1-c1nn[n-]n1)NC(=O)CCCF ZINC001576157053 949467054 /nfs/dbraw/zinc/46/70/54/949467054.db2.gz OVSFXAKGMUYOFP-SJKOYZFVSA-N -1 1 376.440 1.883 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1CCCC(F)(F)C1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574708264 949490079 /nfs/dbraw/zinc/49/00/79/949490079.db2.gz VBEKZGAQUWGNKD-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1CCCC(F)(F)C1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574708264 949490098 /nfs/dbraw/zinc/49/00/98/949490098.db2.gz VBEKZGAQUWGNKD-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)n1nccc1C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574470031 949491088 /nfs/dbraw/zinc/49/10/88/949491088.db2.gz KTHBOCSUFXCUQH-HAQNSBGRSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1nccc1C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574470031 949491095 /nfs/dbraw/zinc/49/10/95/949491095.db2.gz KTHBOCSUFXCUQH-HAQNSBGRSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@H](CC(=O)N(C)C1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574470335 949493213 /nfs/dbraw/zinc/49/32/13/949493213.db2.gz AZPBOEQLOKQACF-XNWIYYODSA-N -1 1 384.366 1.068 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccco1 ZINC001576158793 949502949 /nfs/dbraw/zinc/50/29/49/949502949.db2.gz UNIVVWXWWUJUDZ-SGTLLEGYSA-N -1 1 382.428 1.462 20 0 GDADMM C[C@@H](NC(=O)CC1(C(F)(F)F)CC1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575268793 949532541 /nfs/dbraw/zinc/53/25/41/949532541.db2.gz PGZBKDUTAFPKOP-DTWKUNHWSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](NC(=O)CC1(C(F)(F)F)CC1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575268793 949532556 /nfs/dbraw/zinc/53/25/56/949532556.db2.gz PGZBKDUTAFPKOP-DTWKUNHWSA-N -1 1 384.366 1.694 20 0 GDADMM CC1(C(=O)N2CC[C@]3(CCN(c4cncc(-c5nnn[n-]5)n4)C3)C2)CCCC1 ZINC001575539305 949542304 /nfs/dbraw/zinc/54/23/04/949542304.db2.gz OHTTZASFYAGCSA-IBGZPJMESA-N -1 1 382.472 1.666 20 0 GDADMM CC1(C(=O)N2CC[C@]3(CCN(c4cncc(-c5nn[n-]n5)n4)C3)C2)CCCC1 ZINC001575539305 949542315 /nfs/dbraw/zinc/54/23/15/949542315.db2.gz OHTTZASFYAGCSA-IBGZPJMESA-N -1 1 382.472 1.666 20 0 GDADMM CC1(C(=O)N2CCC[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)CCOCC1 ZINC001575540226 949564397 /nfs/dbraw/zinc/56/43/97/949564397.db2.gz VVXBGBNQMOHKDS-ZDUSSCGKSA-N -1 1 386.460 1.124 20 0 GDADMM CC1(C(=O)N2CCC[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)CCOCC1 ZINC001575540226 949564405 /nfs/dbraw/zinc/56/44/05/949564405.db2.gz VVXBGBNQMOHKDS-ZDUSSCGKSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@@H](CC(=O)N(C)CCN(C)c1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001574475482 949565839 /nfs/dbraw/zinc/56/58/39/949565839.db2.gz AUXVZBDDNJFCJW-AWEZNQCLSA-N -1 1 380.456 1.745 20 0 GDADMM C[C@@H](CC(=O)N(C)CCN(C)c1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001574475482 949565862 /nfs/dbraw/zinc/56/58/62/949565862.db2.gz AUXVZBDDNJFCJW-AWEZNQCLSA-N -1 1 380.456 1.745 20 0 GDADMM C[C@H]1CCCN(C(=O)C2(F)CCCC2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576166419 949579436 /nfs/dbraw/zinc/57/94/36/949579436.db2.gz LNYYOZQKEXTDGU-QWHCGFSZSA-N -1 1 388.451 1.400 20 0 GDADMM C[C@@H](NC(=O)CCCC1CC1)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575270687 949596094 /nfs/dbraw/zinc/59/60/94/949596094.db2.gz FAFXUCIFRUTONQ-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](NC(=O)CCCC1CC1)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575270687 949596113 /nfs/dbraw/zinc/59/61/13/949596113.db2.gz FAFXUCIFRUTONQ-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nnn[n-]1)CC(C)(C)C ZINC001574476448 949603251 /nfs/dbraw/zinc/60/32/51/949603251.db2.gz HDVPVUJVAMPUHA-STQMWFEESA-N -1 1 390.492 1.350 20 0 GDADMM C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nn[n-]n1)CC(C)(C)C ZINC001574476448 949603258 /nfs/dbraw/zinc/60/32/58/949603258.db2.gz HDVPVUJVAMPUHA-STQMWFEESA-N -1 1 390.492 1.350 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CC(C)(C)C2CC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575874670 949613351 /nfs/dbraw/zinc/61/33/51/949613351.db2.gz UANLMYOSCIBGBA-OCCSQVGLSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CC(C)(C)C2CC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575874670 949613366 /nfs/dbraw/zinc/61/33/66/949613366.db2.gz UANLMYOSCIBGBA-OCCSQVGLSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@H](C)c1ccncc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574714106 949622082 /nfs/dbraw/zinc/62/20/82/949622082.db2.gz CDNHROIJJXBYGS-STQMWFEESA-N -1 1 381.444 1.504 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@H](C)c1ccncc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574714106 949622096 /nfs/dbraw/zinc/62/20/96/949622096.db2.gz CDNHROIJJXBYGS-STQMWFEESA-N -1 1 381.444 1.504 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@H]1CCCC1(F)F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574715203 949647237 /nfs/dbraw/zinc/64/72/37/949647237.db2.gz HVKTWLQWOYKVDH-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@H]1CCCC1(F)F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574715203 949647257 /nfs/dbraw/zinc/64/72/57/949647257.db2.gz HVKTWLQWOYKVDH-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CC1CCOCC1 ZINC001573815789 949655377 /nfs/dbraw/zinc/65/53/77/949655377.db2.gz KBYXHWKGJTWJRQ-AWEZNQCLSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CC1CCOCC1 ZINC001573815789 949655391 /nfs/dbraw/zinc/65/53/91/949655391.db2.gz KBYXHWKGJTWJRQ-AWEZNQCLSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)CC(C)(C)C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C ZINC001574131588 949660253 /nfs/dbraw/zinc/66/02/53/949660253.db2.gz HIKAQIJEENKJJZ-ZIAGYGMSSA-N -1 1 386.504 1.918 20 0 GDADMM CC(C)CC(C)(C)C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C ZINC001574131588 949660266 /nfs/dbraw/zinc/66/02/66/949660266.db2.gz HIKAQIJEENKJJZ-ZIAGYGMSSA-N -1 1 386.504 1.918 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CCc2ccccc2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575877780 949672163 /nfs/dbraw/zinc/67/21/63/949672163.db2.gz NAPZYCOHNUFVHC-GDBMZVCRSA-N -1 1 392.467 1.763 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CCc2ccccc2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575877780 949672173 /nfs/dbraw/zinc/67/21/73/949672173.db2.gz NAPZYCOHNUFVHC-GDBMZVCRSA-N -1 1 392.467 1.763 20 0 GDADMM C[C@]1(C(=O)N2CCN(c3nc(Cl)c(-c4nnn[n-]4)s3)CC2)CCOC1 ZINC001575548360 949672472 /nfs/dbraw/zinc/67/24/72/949672472.db2.gz YCFKXEPAFJYDRT-AWEZNQCLSA-N -1 1 383.865 1.052 20 0 GDADMM C[C@]1(C(=O)N2CCN(c3nc(Cl)c(-c4nn[n-]n4)s3)CC2)CCOC1 ZINC001575548360 949672484 /nfs/dbraw/zinc/67/24/84/949672484.db2.gz YCFKXEPAFJYDRT-AWEZNQCLSA-N -1 1 383.865 1.052 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C1C=CC=CC=C1 ZINC001573816673 949683121 /nfs/dbraw/zinc/68/31/21/949683121.db2.gz UKOAUHFEFSCMKQ-OAHLLOKOSA-N -1 1 380.456 1.898 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C1C=CC=CC=C1 ZINC001573816673 949683133 /nfs/dbraw/zinc/68/31/33/949683133.db2.gz UKOAUHFEFSCMKQ-OAHLLOKOSA-N -1 1 380.456 1.898 20 0 GDADMM C[C@H](CC(=O)N(C)CCCN(C)c1ccnc(-c2nn[n-]n2)n1)[C@H]1CCCO1 ZINC001574477972 949687330 /nfs/dbraw/zinc/68/73/30/949687330.db2.gz WNSKLPQRRDMYMQ-ZIAGYGMSSA-N -1 1 388.476 1.147 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H]1Cc2ccccc21 ZINC001573817115 949692788 /nfs/dbraw/zinc/69/27/88/949692788.db2.gz XFAIANSSRVQCKM-ZBFHGGJFSA-N -1 1 392.467 1.939 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H]1Cc2ccccc21 ZINC001573817115 949692807 /nfs/dbraw/zinc/69/28/07/949692807.db2.gz XFAIANSSRVQCKM-ZBFHGGJFSA-N -1 1 392.467 1.939 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574959032 949697919 /nfs/dbraw/zinc/69/79/19/949697919.db2.gz PPHMYLAEBDTCKA-KDXUFGMBSA-N -1 1 383.865 1.461 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)Cc1ccccc1 ZINC001573818052 949711600 /nfs/dbraw/zinc/71/16/00/949711600.db2.gz FOFXCWSCOUFUEU-OAHLLOKOSA-N -1 1 380.456 1.842 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)Cc1ccccc1 ZINC001573818052 949711617 /nfs/dbraw/zinc/71/16/17/949711617.db2.gz FOFXCWSCOUFUEU-OAHLLOKOSA-N -1 1 380.456 1.842 20 0 GDADMM C[C@@H](CC(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1)CC(C)(C)C ZINC001574478531 949711994 /nfs/dbraw/zinc/71/19/94/949711994.db2.gz YQPBEXKHTWKDKN-ZDUSSCGKSA-N -1 1 390.492 1.352 20 0 GDADMM C[C@@H](CC(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1)CC(C)(C)C ZINC001574478531 949712019 /nfs/dbraw/zinc/71/20/19/949712019.db2.gz YQPBEXKHTWKDKN-ZDUSSCGKSA-N -1 1 390.492 1.352 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C(C)(C)C(F)F ZINC001573818127 949717519 /nfs/dbraw/zinc/71/75/19/949717519.db2.gz GVXZIKUJLGREOY-JTQLQIEISA-N -1 1 382.419 1.891 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C(C)(C)C(F)F ZINC001573818127 949717532 /nfs/dbraw/zinc/71/75/32/949717532.db2.gz GVXZIKUJLGREOY-JTQLQIEISA-N -1 1 382.419 1.891 20 0 GDADMM CC1(C(=O)N2C[C@H]3CCN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]3C2)CCCC1 ZINC001575557300 949718349 /nfs/dbraw/zinc/71/83/49/949718349.db2.gz GPGXUCGJFJNBEF-KGLIPLIRSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C(=O)N2C[C@H]3CCN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]3C2)CCCC1 ZINC001575557300 949718363 /nfs/dbraw/zinc/71/83/63/949718363.db2.gz GPGXUCGJFJNBEF-KGLIPLIRSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H]1CCCN(C(=O)Cc2ccco2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576170459 949720349 /nfs/dbraw/zinc/72/03/49/949720349.db2.gz KWZMULVOWNPSKE-WFASDCNBSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@H]1CCCN(C(=O)Cc2ccco2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576170459 949720372 /nfs/dbraw/zinc/72/03/72/949720372.db2.gz KWZMULVOWNPSKE-WFASDCNBSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574960411 949723324 /nfs/dbraw/zinc/72/33/24/949723324.db2.gz WYJJPQYOHINDRM-BGZDPUMWSA-N -1 1 383.865 1.461 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574960411 949723333 /nfs/dbraw/zinc/72/33/33/949723333.db2.gz WYJJPQYOHINDRM-BGZDPUMWSA-N -1 1 383.865 1.461 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N1CC[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574134710 949725349 /nfs/dbraw/zinc/72/53/49/949725349.db2.gz IOODVQZKGIVQHG-CABCVRRESA-N -1 1 386.504 1.801 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C1CCCCC1 ZINC001574479299 949735321 /nfs/dbraw/zinc/73/53/21/949735321.db2.gz DMXPCGFMHGOMGQ-HIFRSBDPSA-N -1 1 384.488 1.698 20 0 GDADMM C[C@@H](CC(=O)N1CCC(CN(C)c2cncc(-c3nnn[n-]3)n2)CC1)C1CC1 ZINC001574480837 949757273 /nfs/dbraw/zinc/75/72/73/949757273.db2.gz KIGWUMIYWZPLME-ZDUSSCGKSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](CC(=O)N1CCC(CN(C)c2cncc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001574480837 949757290 /nfs/dbraw/zinc/75/72/90/949757290.db2.gz KIGWUMIYWZPLME-ZDUSSCGKSA-N -1 1 384.488 1.768 20 0 GDADMM CC1(C(=O)N2C[C@H]3CCN(c4cncc(-c5nnn[n-]5)n4)C[C@H]3C2)CCCC1 ZINC001575559564 949760887 /nfs/dbraw/zinc/76/08/87/949760887.db2.gz WIELJRKOVNFQCR-KGLIPLIRSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C(=O)N2C[C@H]3CCN(c4cncc(-c5nn[n-]n5)n4)C[C@H]3C2)CCCC1 ZINC001575559564 949760901 /nfs/dbraw/zinc/76/09/01/949760901.db2.gz WIELJRKOVNFQCR-KGLIPLIRSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H]1CCCC[C@H]1CC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001576171411 949761680 /nfs/dbraw/zinc/76/16/80/949761680.db2.gz PXIJPXDXQNBQMP-MTVAPTMQSA-N -1 1 382.472 1.424 20 0 GDADMM C[C@@H]1CCCC[C@H]1CC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001576171411 949761710 /nfs/dbraw/zinc/76/17/10/949761710.db2.gz PXIJPXDXQNBQMP-MTVAPTMQSA-N -1 1 382.472 1.424 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccc(F)s1 ZINC001573820711 949767816 /nfs/dbraw/zinc/76/78/16/949767816.db2.gz ZEUGZEXOIKUPHD-SNVBAGLBSA-N -1 1 390.448 1.536 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CCC(F)(F)F ZINC001573820668 949767880 /nfs/dbraw/zinc/76/78/80/949767880.db2.gz YLMUIYJXZWXRJU-SNVBAGLBSA-N -1 1 386.382 1.942 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CCC(F)(F)F ZINC001573820668 949767888 /nfs/dbraw/zinc/76/78/88/949767888.db2.gz YLMUIYJXZWXRJU-SNVBAGLBSA-N -1 1 386.382 1.942 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccccc1O ZINC001573821792 949776224 /nfs/dbraw/zinc/77/62/24/949776224.db2.gz DLRRDZZONZREDI-AWEZNQCLSA-N -1 1 382.428 1.619 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccccc1O ZINC001573821792 949776239 /nfs/dbraw/zinc/77/62/39/949776239.db2.gz DLRRDZZONZREDI-AWEZNQCLSA-N -1 1 382.428 1.619 20 0 GDADMM CC1(C(=O)N[C@H]2CC23CCN(c2ccnc(-c4nn[n-]n4)n2)CC3)CCCC1 ZINC001575560210 949780753 /nfs/dbraw/zinc/78/07/53/949780753.db2.gz MJWPZALSWVLZGY-ZDUSSCGKSA-N -1 1 382.472 1.712 20 0 GDADMM CC(C)C[C@H](C)CC(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001574138124 949784431 /nfs/dbraw/zinc/78/44/31/949784431.db2.gz AYBKKQGEJUUHTI-RRFJBIMHSA-N -1 1 386.504 1.918 20 0 GDADMM CC(C)C[C@H](C)CC(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001574138124 949784451 /nfs/dbraw/zinc/78/44/51/949784451.db2.gz AYBKKQGEJUUHTI-RRFJBIMHSA-N -1 1 386.504 1.918 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@](C)(O)C1CC1 ZINC001573822551 949798207 /nfs/dbraw/zinc/79/82/07/949798207.db2.gz JMNKXTFQDAZASU-SGTLLEGYSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@](C)(O)C1CC1 ZINC001573822551 949798222 /nfs/dbraw/zinc/79/82/22/949798222.db2.gz JMNKXTFQDAZASU-SGTLLEGYSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)C[C@H](C)CC(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001574138778 949801071 /nfs/dbraw/zinc/80/10/71/949801071.db2.gz GJTBQPPICRKRAL-UONOGXRCSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)C[C@H](C)CC(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001574138778 949801089 /nfs/dbraw/zinc/80/10/89/949801089.db2.gz GJTBQPPICRKRAL-UONOGXRCSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cccc(=O)[nH]1 ZINC001573822826 949810300 /nfs/dbraw/zinc/81/03/00/949810300.db2.gz NRJKTWAMMPOZEA-NSHDSACASA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cccc(=O)[nH]1 ZINC001573822826 949810326 /nfs/dbraw/zinc/81/03/26/949810326.db2.gz NRJKTWAMMPOZEA-NSHDSACASA-N -1 1 383.416 1.014 20 0 GDADMM C[C@@H]1CCCC[C@H]1C(=O)NCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576173389 949841704 /nfs/dbraw/zinc/84/17/04/949841704.db2.gz YGKGQXATODNPHM-UKRRQHHQSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H]1CCCC[C@H]1C(=O)NCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576173389 949841725 /nfs/dbraw/zinc/84/17/25/949841725.db2.gz YGKGQXATODNPHM-UKRRQHHQSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C(=O)N[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)CC2)CC(F)(F)C1 ZINC001575563686 949843281 /nfs/dbraw/zinc/84/32/81/949843281.db2.gz LRRLZDDGNNPOCA-LLVKDONJSA-N -1 1 392.414 1.567 20 0 GDADMM CC1(C(=O)N[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)CC2)CC(F)(F)C1 ZINC001575563686 949843295 /nfs/dbraw/zinc/84/32/95/949843295.db2.gz LRRLZDDGNNPOCA-LLVKDONJSA-N -1 1 392.414 1.567 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2cc(Cl)c[nH]2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575884291 949844216 /nfs/dbraw/zinc/84/42/16/949844216.db2.gz IQJWBUNAJVZTOQ-KOLCDFICSA-N -1 1 387.835 1.426 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2cc(Cl)c[nH]2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575884291 949844244 /nfs/dbraw/zinc/84/42/44/949844244.db2.gz IQJWBUNAJVZTOQ-KOLCDFICSA-N -1 1 387.835 1.426 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2nccs2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576177805 949862722 /nfs/dbraw/zinc/86/27/22/949862722.db2.gz BRFKYYDMJKSHAH-PWSUYJOCSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2nccs2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576177805 949862732 /nfs/dbraw/zinc/86/27/32/949862732.db2.gz BRFKYYDMJKSHAH-PWSUYJOCSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H](CC(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1)[C@@H]1CCCO1 ZINC001574484286 949869854 /nfs/dbraw/zinc/86/98/54/949869854.db2.gz XUVGEFOJBJCFCW-HIFRSBDPSA-N -1 1 390.513 1.778 20 0 GDADMM C[C@@H](NC(=O)COC(C)(C)C)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575283551 949877051 /nfs/dbraw/zinc/87/70/51/949877051.db2.gz POPARYWYWMLQNM-OLZOCXBDSA-N -1 1 388.476 1.193 20 0 GDADMM C[C@@H](NC(=O)COC(C)(C)C)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575283551 949877074 /nfs/dbraw/zinc/87/70/74/949877074.db2.gz POPARYWYWMLQNM-OLZOCXBDSA-N -1 1 388.476 1.193 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574143362 949888133 /nfs/dbraw/zinc/88/81/33/949888133.db2.gz GSOJSWJJLCUWLK-ZIAGYGMSSA-N -1 1 388.476 1.193 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574143362 949888155 /nfs/dbraw/zinc/88/81/55/949888155.db2.gz GSOJSWJJLCUWLK-ZIAGYGMSSA-N -1 1 388.476 1.193 20 0 GDADMM C[C@@H](CC(=O)N1CCCCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001574484625 949892140 /nfs/dbraw/zinc/89/21/40/949892140.db2.gz KXQPJRFJHATBJD-DZGCQCFKSA-N -1 1 384.488 1.698 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccncc2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576178726 949894980 /nfs/dbraw/zinc/89/49/80/949894980.db2.gz CSCNJPFCNNAEGI-OCCSQVGLSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccncc2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576178726 949895001 /nfs/dbraw/zinc/89/50/01/949895001.db2.gz CSCNJPFCNNAEGI-OCCSQVGLSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001574485194 949922137 /nfs/dbraw/zinc/92/21/37/949922137.db2.gz UXUAQXIQVLFCSW-QWHCGFSZSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001574485194 949922155 /nfs/dbraw/zinc/92/21/55/949922155.db2.gz UXUAQXIQVLFCSW-QWHCGFSZSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001574485579 949927166 /nfs/dbraw/zinc/92/71/66/949927166.db2.gz YCQXIJHBMUEEML-QWHCGFSZSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001574485579 949927183 /nfs/dbraw/zinc/92/71/83/949927183.db2.gz YCQXIJHBMUEEML-QWHCGFSZSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@@H](CN(C)C(=O)COc1ccccc1F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574726201 949930828 /nfs/dbraw/zinc/93/08/28/949930828.db2.gz GUJGEZMOHQFGBC-NSHDSACASA-N -1 1 386.391 1.134 20 0 GDADMM C[C@@H](CN(C)C(=O)COc1ccccc1F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574726201 949930848 /nfs/dbraw/zinc/93/08/48/949930848.db2.gz GUJGEZMOHQFGBC-NSHDSACASA-N -1 1 386.391 1.134 20 0 GDADMM C[C@@H]1CCN(C(=O)C2CC(F)(F)C2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576180150 949938765 /nfs/dbraw/zinc/93/87/65/949938765.db2.gz CJQZMWLPWQERCU-ZYHUDNBSSA-N -1 1 392.414 1.020 20 0 GDADMM C[C@H]1CCN(C(=O)CC(C)(F)F)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576180185 949946617 /nfs/dbraw/zinc/94/66/17/949946617.db2.gz CQMAGINBWTUKRN-QWRGUYRKSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H]1CCN(C(=O)CC(C)(F)F)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576180185 949946641 /nfs/dbraw/zinc/94/66/41/949946641.db2.gz CQMAGINBWTUKRN-QWRGUYRKSA-N -1 1 380.403 1.599 20 0 GDADMM CC(C)(C)CC(=O)N1CC[C@@]2(C1)CCCN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001573829750 949968097 /nfs/dbraw/zinc/96/80/97/949968097.db2.gz FBIOZECWXWCUHX-IBGZPJMESA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)(C)CC(=O)N1CC[C@@]2(C1)CCCN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001573829750 949968118 /nfs/dbraw/zinc/96/81/18/949968118.db2.gz FBIOZECWXWCUHX-IBGZPJMESA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)(C)CC(=O)N1CCC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CC[C@@H]21 ZINC001573830002 949973064 /nfs/dbraw/zinc/97/30/64/949973064.db2.gz HECMKEQMQUSACS-HIFRSBDPSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)(C)CC(=O)N1CCC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CC[C@@H]21 ZINC001573830002 949973080 /nfs/dbraw/zinc/97/30/80/949973080.db2.gz HECMKEQMQUSACS-HIFRSBDPSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001574490415 949996350 /nfs/dbraw/zinc/99/63/50/949996350.db2.gz RGLXSMLEMKXCNL-OUCADQQQSA-N -1 1 382.428 1.702 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001574490415 949996364 /nfs/dbraw/zinc/99/63/64/949996364.db2.gz RGLXSMLEMKXCNL-OUCADQQQSA-N -1 1 382.428 1.702 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1)C(F)(F)F ZINC001574490468 949996741 /nfs/dbraw/zinc/99/67/41/949996741.db2.gz SHQLLYOFWDKDTO-UTLUCORTSA-N -1 1 382.350 1.035 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1)C(F)(F)F ZINC001574490468 949996753 /nfs/dbraw/zinc/99/67/53/949996753.db2.gz SHQLLYOFWDKDTO-UTLUCORTSA-N -1 1 382.350 1.035 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ccccc2O)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575891322 950001573 /nfs/dbraw/zinc/00/15/73/950001573.db2.gz HZIWNHJVMDBJQF-YPMHNXCESA-N -1 1 380.412 1.150 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ccccc2O)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575891322 950001595 /nfs/dbraw/zinc/00/15/95/950001595.db2.gz HZIWNHJVMDBJQF-YPMHNXCESA-N -1 1 380.412 1.150 20 0 GDADMM C[C@H]1CCN(C(=O)Cc2ccoc2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576181619 950010339 /nfs/dbraw/zinc/01/03/39/950010339.db2.gz IOFIZRCNLLUQIG-JSGCOSHPSA-N -1 1 382.428 1.389 20 0 GDADMM C[C@H]1CCN(C(=O)Cc2ccoc2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576181619 950010358 /nfs/dbraw/zinc/01/03/58/950010358.db2.gz IOFIZRCNLLUQIG-JSGCOSHPSA-N -1 1 382.428 1.389 20 0 GDADMM C[C@@H]1CCN(C(=O)C2C=CC=CC=C2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576181632 950012380 /nfs/dbraw/zinc/01/23/80/950012380.db2.gz IOMFVSJODWLMKJ-GDBMZVCRSA-N -1 1 392.467 1.852 20 0 GDADMM C[C@@H]1CCN(C(=O)C2C=CC=CC=C2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576181632 950012402 /nfs/dbraw/zinc/01/24/02/950012402.db2.gz IOMFVSJODWLMKJ-GDBMZVCRSA-N -1 1 392.467 1.852 20 0 GDADMM C[C@H](CC(=O)N[C@@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001574491157 950026262 /nfs/dbraw/zinc/02/62/62/950026262.db2.gz AGKCSHOJUNFINZ-ACJLOTCBSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](CC(=O)N[C@@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001574491157 950026282 /nfs/dbraw/zinc/02/62/82/950026282.db2.gz AGKCSHOJUNFINZ-ACJLOTCBSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](CC(=O)NC1CC(CNc2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001574491598 950038545 /nfs/dbraw/zinc/03/85/45/950038545.db2.gz DUTSEQAYBAKJKL-PNESKVBLSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](CC(=O)NC1CC(CNc2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001574491598 950038567 /nfs/dbraw/zinc/03/85/67/950038567.db2.gz DUTSEQAYBAKJKL-PNESKVBLSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](CC(=O)N[C@]12CCC[C@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2)C1CC1 ZINC001574491955 950050057 /nfs/dbraw/zinc/05/00/57/950050057.db2.gz HKXHPILIGIYDAZ-PEELUZDISA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H](CC(=O)N[C@]12CCC[C@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2)C1CC1 ZINC001574491955 950050083 /nfs/dbraw/zinc/05/00/83/950050083.db2.gz HKXHPILIGIYDAZ-PEELUZDISA-N -1 1 382.472 1.711 20 0 GDADMM CC(C)(C)CC(=O)N[C@@H]1CC[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001573835395 950054483 /nfs/dbraw/zinc/05/44/83/950054483.db2.gz WQTPUUSCCCQZMH-MGPQQGTHSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cocn2)[C@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576182674 950059342 /nfs/dbraw/zinc/05/93/42/950059342.db2.gz OVECHYJHYWGFDY-RISCZKNCSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cocn2)[C@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576182674 950059360 /nfs/dbraw/zinc/05/93/60/950059360.db2.gz OVECHYJHYWGFDY-RISCZKNCSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cocn2)[C@@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001576182744 950067229 /nfs/dbraw/zinc/06/72/29/950067229.db2.gz PFZZJUVZCMZCEY-BXUZGUMPSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cocn2)[C@@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001576182744 950067251 /nfs/dbraw/zinc/06/72/51/950067251.db2.gz PFZZJUVZCMZCEY-BXUZGUMPSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@@H](CN(C)C(=O)OC(C)(C)C)NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001574732259 950068990 /nfs/dbraw/zinc/06/89/90/950068990.db2.gz IBGJEAZYRHBKFG-JTQLQIEISA-N -1 1 376.421 1.639 20 0 GDADMM C[C@@H](CN(C)C(=O)OC(C)(C)C)NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001574732259 950069005 /nfs/dbraw/zinc/06/90/05/950069005.db2.gz IBGJEAZYRHBKFG-JTQLQIEISA-N -1 1 376.421 1.639 20 0 GDADMM C[C@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001574492226 950070337 /nfs/dbraw/zinc/07/03/37/950070337.db2.gz LFTVNARJCSKMSX-JZIBPQBNSA-N -1 1 382.472 1.709 20 0 GDADMM C[C@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001574492226 950070360 /nfs/dbraw/zinc/07/03/60/950070360.db2.gz LFTVNARJCSKMSX-JZIBPQBNSA-N -1 1 382.472 1.709 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccccn2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576183024 950075905 /nfs/dbraw/zinc/07/59/05/950075905.db2.gz QJQOOAQGCNYGIS-DOMZBBRYSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccccn2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576183024 950075921 /nfs/dbraw/zinc/07/59/21/950075921.db2.gz QJQOOAQGCNYGIS-DOMZBBRYSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cocn2)[C@@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001576183721 950101274 /nfs/dbraw/zinc/10/12/74/950101274.db2.gz TUQQXVWXWLKEOL-WCQYABFASA-N -1 1 383.416 1.388 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cocn2)[C@@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001576183721 950101281 /nfs/dbraw/zinc/10/12/81/950101281.db2.gz TUQQXVWXWLKEOL-WCQYABFASA-N -1 1 383.416 1.388 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574733421 950108371 /nfs/dbraw/zinc/10/83/71/950108371.db2.gz AOJWGBCZUUSLDZ-AEGPPILISA-N -1 1 378.440 1.719 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574733421 950108390 /nfs/dbraw/zinc/10/83/90/950108390.db2.gz AOJWGBCZUUSLDZ-AEGPPILISA-N -1 1 378.440 1.719 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cncs2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576184043 950114485 /nfs/dbraw/zinc/11/44/85/950114485.db2.gz VKPJNZNBEHWVKS-CMPLNLGQSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cncs2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576184043 950114502 /nfs/dbraw/zinc/11/45/02/950114502.db2.gz VKPJNZNBEHWVKS-CMPLNLGQSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2ccoc2Cl)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575895288 950115472 /nfs/dbraw/zinc/11/54/72/950115472.db2.gz IEOFFJKXGWWAJH-GXSJLCMTSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2ccoc2Cl)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575895288 950115484 /nfs/dbraw/zinc/11/54/84/950115484.db2.gz IEOFFJKXGWWAJH-GXSJLCMTSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@]1(C)c1ccccc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574733625 950118057 /nfs/dbraw/zinc/11/80/57/950118057.db2.gz DXCABAZBZPWOEF-ZQGRQUNCSA-N -1 1 392.467 1.315 20 0 GDADMM C[C@@H](CC(=O)N[C@]1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574493510 950133238 /nfs/dbraw/zinc/13/32/38/950133238.db2.gz SXBIRLVFINBKJL-SCLBCKFNSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H]1CCN(C(=O)Cc2ccco2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576184657 950136141 /nfs/dbraw/zinc/13/61/41/950136141.db2.gz WTRQRHNJBRAVLT-STQMWFEESA-N -1 1 382.428 1.389 20 0 GDADMM C[C@H]1CCN(C(=O)Cc2ccco2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576184657 950136154 /nfs/dbraw/zinc/13/61/54/950136154.db2.gz WTRQRHNJBRAVLT-STQMWFEESA-N -1 1 382.428 1.389 20 0 GDADMM C[C@H]1CCN(C(=O)Cc2ccco2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576184656 950136805 /nfs/dbraw/zinc/13/68/05/950136805.db2.gz WTRQRHNJBRAVLT-QWHCGFSZSA-N -1 1 382.428 1.389 20 0 GDADMM C[C@H]1CCN(C(=O)Cc2ccco2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576184656 950136816 /nfs/dbraw/zinc/13/68/16/950136816.db2.gz WTRQRHNJBRAVLT-QWHCGFSZSA-N -1 1 382.428 1.389 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cccnc2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576184755 950140733 /nfs/dbraw/zinc/14/07/33/950140733.db2.gz XNCWUVNRHYCRLS-DOMZBBRYSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cccnc2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576184755 950140747 /nfs/dbraw/zinc/14/07/47/950140747.db2.gz XNCWUVNRHYCRLS-DOMZBBRYSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1)c1ccco1 ZINC001574493929 950144987 /nfs/dbraw/zinc/14/49/87/950144987.db2.gz IYDJVPUKEANGDQ-AAEUAGOBSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1)c1ccco1 ZINC001574493929 950145007 /nfs/dbraw/zinc/14/50/07/950145007.db2.gz IYDJVPUKEANGDQ-AAEUAGOBSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccncc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574734859 950145545 /nfs/dbraw/zinc/14/55/45/950145545.db2.gz SYOASWRWNNJUKV-FPMFFAJLSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccncc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574734859 950145562 /nfs/dbraw/zinc/14/55/62/950145562.db2.gz SYOASWRWNNJUKV-FPMFFAJLSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccco1 ZINC001574494241 950155569 /nfs/dbraw/zinc/15/55/69/950155569.db2.gz YBPDQRBMMUOVFZ-CHWSQXEVSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574494241 950155585 /nfs/dbraw/zinc/15/55/85/950155585.db2.gz YBPDQRBMMUOVFZ-CHWSQXEVSA-N -1 1 382.428 1.529 20 0 GDADMM CC1(C(=O)NC[C@@H]2[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]32)CCCCC1 ZINC001575584013 950158724 /nfs/dbraw/zinc/15/87/24/950158724.db2.gz OHVXLEXUAZFGBT-ZSOGYDGISA-N -1 1 382.472 1.426 20 0 GDADMM CC1(C(=O)NC[C@@H]2[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]32)CCCCC1 ZINC001575584013 950158738 /nfs/dbraw/zinc/15/87/38/950158738.db2.gz OHVXLEXUAZFGBT-ZSOGYDGISA-N -1 1 382.472 1.426 20 0 GDADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1(CF)CCC1 ZINC001574154500 950173934 /nfs/dbraw/zinc/17/39/34/950173934.db2.gz FCMIEDIWVGECLJ-LBPRGKRZSA-N -1 1 376.440 1.161 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccncc2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576191025 950178635 /nfs/dbraw/zinc/17/86/35/950178635.db2.gz CNLVSZWNSVHICC-JSGCOSHPSA-N -1 1 379.428 1.262 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccncc2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576191025 950178651 /nfs/dbraw/zinc/17/86/51/950178651.db2.gz CNLVSZWNSVHICC-JSGCOSHPSA-N -1 1 379.428 1.262 20 0 GDADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1(C(F)F)CC1 ZINC001574155042 950184732 /nfs/dbraw/zinc/18/47/32/950184732.db2.gz IPDAFJDWJQDTCM-JTQLQIEISA-N -1 1 380.403 1.067 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccns2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576191460 950196380 /nfs/dbraw/zinc/19/63/80/950196380.db2.gz GOTSMTSTCUZQQD-GHMZBOCLSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccns2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576191460 950196398 /nfs/dbraw/zinc/19/63/98/950196398.db2.gz GOTSMTSTCUZQQD-GHMZBOCLSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1)c1ccncc1 ZINC001574497733 950235699 /nfs/dbraw/zinc/23/56/99/950235699.db2.gz BWEPDJZPCSNOTR-GFCCVEGCSA-N -1 1 379.428 1.306 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1)c1ccncc1 ZINC001574497733 950235715 /nfs/dbraw/zinc/23/57/15/950235715.db2.gz BWEPDJZPCSNOTR-GFCCVEGCSA-N -1 1 379.428 1.306 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001573845616 950236108 /nfs/dbraw/zinc/23/61/08/950236108.db2.gz JJAHZCMBQYUKES-HZSPNIEDSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001573845616 950236128 /nfs/dbraw/zinc/23/61/28/950236128.db2.gz JJAHZCMBQYUKES-HZSPNIEDSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccn(C)c2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576192282 950238033 /nfs/dbraw/zinc/23/80/33/950238033.db2.gz LRTHRXIRYNRRSL-OCCSQVGLSA-N -1 1 381.444 1.206 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccn(C)c2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576192282 950238051 /nfs/dbraw/zinc/23/80/51/950238051.db2.gz LRTHRXIRYNRRSL-OCCSQVGLSA-N -1 1 381.444 1.206 20 0 GDADMM C[C@@H](CN(C)C(=O)c1c[nH]nc1C(C)(C)C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574741377 950238683 /nfs/dbraw/zinc/23/86/83/950238683.db2.gz AOKVVQRPESQJPL-JTQLQIEISA-N -1 1 384.448 1.250 20 0 GDADMM C[C@@H](CN(C)C(=O)c1c[nH]nc1C(C)(C)C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574741377 950238703 /nfs/dbraw/zinc/23/87/03/950238703.db2.gz AOKVVQRPESQJPL-JTQLQIEISA-N -1 1 384.448 1.250 20 0 GDADMM C[C@H](CC(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1)C1CC1 ZINC001574497771 950241492 /nfs/dbraw/zinc/24/14/92/950241492.db2.gz CRPBATUOPYISOU-LLVKDONJSA-N -1 1 376.486 1.027 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CC1)c1ccccc1 ZINC001574499168 950292369 /nfs/dbraw/zinc/29/23/69/950292369.db2.gz SJKLKUWVVSDGMH-CYBMUJFWSA-N -1 1 378.440 1.911 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CC1)c1ccccc1 ZINC001574499168 950292382 /nfs/dbraw/zinc/29/23/82/950292382.db2.gz SJKLKUWVVSDGMH-CYBMUJFWSA-N -1 1 378.440 1.911 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H](O)CNc1snc(Cl)c1-c1nnn[n-]1)C1CC1 ZINC001574499385 950299170 /nfs/dbraw/zinc/29/91/70/950299170.db2.gz UFRNBWCOSWBKSR-IONNQARKSA-N -1 1 385.881 1.302 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H](O)CNc1snc(Cl)c1-c1nn[n-]n1)C1CC1 ZINC001574499385 950299188 /nfs/dbraw/zinc/29/91/88/950299188.db2.gz UFRNBWCOSWBKSR-IONNQARKSA-N -1 1 385.881 1.302 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[C@@H]1CCCCO1 ZINC001574159349 950304327 /nfs/dbraw/zinc/30/43/27/950304327.db2.gz FZKOUXPZBCSHIC-KBPBESRZSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[C@@H]1CCCCO1 ZINC001574159349 950304348 /nfs/dbraw/zinc/30/43/48/950304348.db2.gz FZKOUXPZBCSHIC-KBPBESRZSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)OC(=O)N(CCO)[C@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC001573852419 950307270 /nfs/dbraw/zinc/30/72/70/950307270.db2.gz IBXRFEWQOGRJTO-ZDUSSCGKSA-N -1 1 389.460 1.460 20 0 GDADMM CC(C)(C)OC(=O)N(CCO)[C@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC001573852419 950307298 /nfs/dbraw/zinc/30/72/98/950307298.db2.gz IBXRFEWQOGRJTO-ZDUSSCGKSA-N -1 1 389.460 1.460 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@H](C2(NC(=O)c3coc(-c4nnn[n-]4)c3)CC2)C1 ZINC001573852863 950310933 /nfs/dbraw/zinc/31/09/33/950310933.db2.gz KCSZNGIZFQJWHH-LBPRGKRZSA-N -1 1 388.428 1.979 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@H](C2(NC(=O)c3coc(-c4nn[n-]n4)c3)CC2)C1 ZINC001573852863 950310951 /nfs/dbraw/zinc/31/09/51/950310951.db2.gz KCSZNGIZFQJWHH-LBPRGKRZSA-N -1 1 388.428 1.979 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H](C)n1cccc1 ZINC001574159833 950321204 /nfs/dbraw/zinc/32/12/04/950321204.db2.gz KGKFDGCFCAZWPY-KBPBESRZSA-N -1 1 383.460 1.662 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)n1cccc1 ZINC001574159833 950321225 /nfs/dbraw/zinc/32/12/25/950321225.db2.gz KGKFDGCFCAZWPY-KBPBESRZSA-N -1 1 383.460 1.662 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C1(CF)CCC1 ZINC001574159794 950321783 /nfs/dbraw/zinc/32/17/83/950321783.db2.gz JCXCNRPMHRDYMJ-LBPRGKRZSA-N -1 1 376.440 1.739 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C1(CF)CCC1 ZINC001574159794 950321806 /nfs/dbraw/zinc/32/18/06/950321806.db2.gz JCXCNRPMHRDYMJ-LBPRGKRZSA-N -1 1 376.440 1.739 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)o2)[C@H](F)C1 ZINC001573853765 950329659 /nfs/dbraw/zinc/32/96/59/950329659.db2.gz VFNCOJHOKHQHSP-ZJUUUORDSA-N -1 1 380.380 1.537 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)o2)[C@H](F)C1 ZINC001573853765 950329683 /nfs/dbraw/zinc/32/96/83/950329683.db2.gz VFNCOJHOKHQHSP-ZJUUUORDSA-N -1 1 380.380 1.537 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001574501309 950331294 /nfs/dbraw/zinc/33/12/94/950331294.db2.gz CWKOEXBECNHGEP-NXEZZACHSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001574501309 950331315 /nfs/dbraw/zinc/33/13/15/950331315.db2.gz CWKOEXBECNHGEP-NXEZZACHSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001574502170 950366071 /nfs/dbraw/zinc/36/60/71/950366071.db2.gz JZKLLOQCNZKYTF-ZJUUUORDSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001574502170 950366089 /nfs/dbraw/zinc/36/60/89/950366089.db2.gz JZKLLOQCNZKYTF-ZJUUUORDSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001574162665 950394400 /nfs/dbraw/zinc/39/44/00/950394400.db2.gz GROXVQGAENBVPD-CQSZACIVSA-N -1 1 398.427 1.869 20 0 GDADMM CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001574162665 950394425 /nfs/dbraw/zinc/39/44/25/950394425.db2.gz GROXVQGAENBVPD-CQSZACIVSA-N -1 1 398.427 1.869 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574503116 950403399 /nfs/dbraw/zinc/40/33/99/950403399.db2.gz UASPVRUIVONZPO-LSDHHAIUSA-N -1 1 392.467 1.793 20 0 GDADMM CC(C)c1cc(C(=O)N(C)C[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)n(C)n1 ZINC001574747100 950404729 /nfs/dbraw/zinc/40/47/29/950404729.db2.gz QTTQQDVRCNRZAH-NSHDSACASA-N -1 1 384.448 1.086 20 0 GDADMM CC(C)c1cc(C(=O)N(C)C[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)n(C)n1 ZINC001574747100 950404743 /nfs/dbraw/zinc/40/47/43/950404743.db2.gz QTTQQDVRCNRZAH-NSHDSACASA-N -1 1 384.448 1.086 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC001574503307 950405952 /nfs/dbraw/zinc/40/59/52/950405952.db2.gz UJZCPDQSLBXLEE-OCCSQVGLSA-N -1 1 390.513 1.681 20 0 GDADMM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(-c3nnn[n-]3)n1)C2 ZINC001573857534 950408514 /nfs/dbraw/zinc/40/85/14/950408514.db2.gz UUGQPWARXJBMGE-HONMWMINSA-N -1 1 385.428 1.532 20 0 GDADMM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(-c3nn[n-]n3)n1)C2 ZINC001573857534 950408526 /nfs/dbraw/zinc/40/85/26/950408526.db2.gz UUGQPWARXJBMGE-HONMWMINSA-N -1 1 385.428 1.532 20 0 GDADMM CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001573857516 950409181 /nfs/dbraw/zinc/40/91/81/950409181.db2.gz TZGHWVYMSWNUTI-VIFPVBQESA-N -1 1 394.461 1.271 20 0 GDADMM CC(C)(C)OC(=O)NC1(CC(=O)NCc2ccnc(-c3nnn[n-]3)c2)CCC1 ZINC001573860101 950415950 /nfs/dbraw/zinc/41/59/50/950415950.db2.gz DWNWPBUPVUCXCX-UHFFFAOYSA-N -1 1 387.444 1.715 20 0 GDADMM CC(C)(C)OC(=O)NC1(CC(=O)NCc2ccnc(-c3nn[n-]n3)c2)CCC1 ZINC001573860101 950415962 /nfs/dbraw/zinc/41/59/62/950415962.db2.gz DWNWPBUPVUCXCX-UHFFFAOYSA-N -1 1 387.444 1.715 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C1(CCF)CC1 ZINC001574163425 950425868 /nfs/dbraw/zinc/42/58/68/950425868.db2.gz UORYDQCDXWRUAO-GFCCVEGCSA-N -1 1 376.440 1.739 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C1(CCF)CC1 ZINC001574163425 950425875 /nfs/dbraw/zinc/42/58/75/950425875.db2.gz UORYDQCDXWRUAO-GFCCVEGCSA-N -1 1 376.440 1.739 20 0 GDADMM CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)cc1 ZINC001573860716 950430388 /nfs/dbraw/zinc/43/03/88/950430388.db2.gz NADGTAYDRHHYKB-UHFFFAOYSA-N -1 1 384.400 1.867 20 0 GDADMM CCN(CC)CCN(C(=O)/C=C/c1ccc(C(=O)[O-])o1)[C@H]1CCS(=O)(=O)C1 ZINC001589724909 950449509 /nfs/dbraw/zinc/44/95/09/950449509.db2.gz PHUMIGZTTDBHRP-OWNNVSBGSA-N -1 1 398.481 1.349 20 0 GDADMM CC(C)CC1(C(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nnn[n-]3)cn2)CCC1 ZINC001574165841 950453852 /nfs/dbraw/zinc/45/38/52/950453852.db2.gz KDKIDCJAYVRSEH-KBPBESRZSA-N -1 1 382.472 1.663 20 0 GDADMM CC(C)CC1(C(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nn[n-]n3)cn2)CCC1 ZINC001574165841 950453864 /nfs/dbraw/zinc/45/38/64/950453864.db2.gz KDKIDCJAYVRSEH-KBPBESRZSA-N -1 1 382.472 1.663 20 0 GDADMM CC[NH+](CC)Cc1nc(C2(NC(=O)c3cc(C(=O)[O-])n[n-]3)CCCC2)no1 ZINC001589725559 950454306 /nfs/dbraw/zinc/45/43/06/950454306.db2.gz AVTLQEKNQRBIOI-UHFFFAOYSA-N -1 1 376.417 1.532 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc(Cl)cs1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574751635 950459894 /nfs/dbraw/zinc/45/98/94/950459894.db2.gz PLZYKHVZBSRFBN-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc(Cl)cs1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574751635 950459912 /nfs/dbraw/zinc/45/99/12/950459912.db2.gz PLZYKHVZBSRFBN-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001573862247 950462823 /nfs/dbraw/zinc/46/28/23/950462823.db2.gz QUOAKDIAZVHIHV-XYPYZODXSA-N -1 1 388.432 1.687 20 0 GDADMM CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001573862247 950462834 /nfs/dbraw/zinc/46/28/34/950462834.db2.gz QUOAKDIAZVHIHV-XYPYZODXSA-N -1 1 388.432 1.687 20 0 GDADMM CC(C)(C)OC(=O)[C@@]12COC[C@@H]1CN(c1nc(-c3nn[n-]n3)c(Cl)s1)C2 ZINC001573863326 950475193 /nfs/dbraw/zinc/47/51/93/950475193.db2.gz CFGMXSNYPYGSJK-AYVTZFPOSA-N -1 1 398.876 1.771 20 0 GDADMM CC(C)(C)OCC(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001573866457 950500238 /nfs/dbraw/zinc/50/02/38/950500238.db2.gz CRERJMVZJVGSFZ-STQMWFEESA-N -1 1 386.460 1.042 20 0 GDADMM C[C@H](CC(=O)NCC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C)C1CC1 ZINC001574509566 950514681 /nfs/dbraw/zinc/51/46/81/950514681.db2.gz SEILZPJKPIVAFF-UMVBOHGHSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccco1 ZINC001574509802 950530396 /nfs/dbraw/zinc/53/03/96/950530396.db2.gz XZFCNSBIQINNGY-UPJWGTAASA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574509802 950530409 /nfs/dbraw/zinc/53/04/09/950530409.db2.gz XZFCNSBIQINNGY-UPJWGTAASA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc2c(c1)CCO2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574753889 950549970 /nfs/dbraw/zinc/54/99/70/950549970.db2.gz VAYMFQWSPUORBC-NSHDSACASA-N -1 1 380.412 1.164 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc2c(c1)CCO2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574753889 950549982 /nfs/dbraw/zinc/54/99/82/950549982.db2.gz VAYMFQWSPUORBC-NSHDSACASA-N -1 1 380.412 1.164 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573868890 950550204 /nfs/dbraw/zinc/55/02/04/950550204.db2.gz HPQNCXGYUZWANZ-MRVPVSSYSA-N -1 1 385.881 1.487 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573868890 950550221 /nfs/dbraw/zinc/55/02/21/950550221.db2.gz HPQNCXGYUZWANZ-MRVPVSSYSA-N -1 1 385.881 1.487 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc2c(c1)CCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574754136 950562009 /nfs/dbraw/zinc/56/20/09/950562009.db2.gz YEWJPPLRLSOMOV-GFCCVEGCSA-N -1 1 378.440 1.140 20 0 GDADMM CC(C)c1ccc(C(=O)N(C)C[C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)nc1 ZINC001574754160 950564036 /nfs/dbraw/zinc/56/40/36/950564036.db2.gz YVMJHAAUWMCQCC-GFCCVEGCSA-N -1 1 381.444 1.748 20 0 GDADMM CC(C)c1ccc(C(=O)N(C)C[C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)nc1 ZINC001574754160 950564047 /nfs/dbraw/zinc/56/40/47/950564047.db2.gz YVMJHAAUWMCQCC-GFCCVEGCSA-N -1 1 381.444 1.748 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C)C(F)(F)F ZINC001574511718 950569319 /nfs/dbraw/zinc/56/93/19/950569319.db2.gz RDPPHTUKGNZFPJ-FXPVBKGRSA-N -1 1 384.366 1.186 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C)C(F)(F)F ZINC001574511718 950569328 /nfs/dbraw/zinc/56/93/28/950569328.db2.gz RDPPHTUKGNZFPJ-FXPVBKGRSA-N -1 1 384.366 1.186 20 0 GDADMM CC1(C)C(C(=O)NCC[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)C1(C)C ZINC001575616521 950584285 /nfs/dbraw/zinc/58/42/85/950584285.db2.gz QQKPZLIMGRSJSC-LBPRGKRZSA-N -1 1 384.488 1.672 20 0 GDADMM CC1(C)C(C(=O)NCC[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)C1(C)C ZINC001575616521 950584310 /nfs/dbraw/zinc/58/43/10/950584310.db2.gz QQKPZLIMGRSJSC-LBPRGKRZSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)CCC(=O)N1CCC[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CC[C@H]21 ZINC001574173014 950586663 /nfs/dbraw/zinc/58/66/63/950586663.db2.gz DRHMGCMSOQPFAB-GDBMZVCRSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CCC(=O)N1CCC[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CC[C@H]21 ZINC001574173014 950586677 /nfs/dbraw/zinc/58/66/77/950586677.db2.gz DRHMGCMSOQPFAB-GDBMZVCRSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CCC(=O)N1CCC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CC[C@@H]21 ZINC001574173016 950590011 /nfs/dbraw/zinc/59/00/11/950590011.db2.gz DRHMGCMSOQPFAB-HOCLYGCPSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CCC(=O)N1CCC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CC[C@@H]21 ZINC001574173016 950590028 /nfs/dbraw/zinc/59/00/28/950590028.db2.gz DRHMGCMSOQPFAB-HOCLYGCPSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ncc(F)cc1F ZINC001575918187 950590160 /nfs/dbraw/zinc/59/01/60/950590160.db2.gz BBXXOHJFKQJZEU-KWQFWETISA-N -1 1 387.354 1.045 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ncc(F)cc1F ZINC001575918187 950590174 /nfs/dbraw/zinc/59/01/74/950590174.db2.gz BBXXOHJFKQJZEU-KWQFWETISA-N -1 1 387.354 1.045 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccnc(C2CC2)c1 ZINC001575918446 950592951 /nfs/dbraw/zinc/59/29/51/950592951.db2.gz BWOGPFCKGPGTRT-SMDDNHRTSA-N -1 1 391.439 1.644 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccnc(C2CC2)c1 ZINC001575918446 950592965 /nfs/dbraw/zinc/59/29/65/950592965.db2.gz BWOGPFCKGPGTRT-SMDDNHRTSA-N -1 1 391.439 1.644 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@]12CCC[C@@H]1N(c1nccnc1-c1nnn[n-]1)CC2 ZINC001573870835 950600117 /nfs/dbraw/zinc/60/01/17/950600117.db2.gz XWABFIBXGFJPJT-KPZWWZAWSA-N -1 1 386.460 1.089 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@]12CCC[C@@H]1N(c1nccnc1-c1nn[n-]n1)CC2 ZINC001573870835 950600130 /nfs/dbraw/zinc/60/01/30/950600130.db2.gz XWABFIBXGFJPJT-KPZWWZAWSA-N -1 1 386.460 1.089 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C)n1cccc1 ZINC001574513499 950607889 /nfs/dbraw/zinc/60/78/89/950607889.db2.gz QZWDFXCGIHVCTK-MJBXVCDLSA-N -1 1 381.444 1.193 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C)n1cccc1 ZINC001574513499 950607907 /nfs/dbraw/zinc/60/79/07/950607907.db2.gz QZWDFXCGIHVCTK-MJBXVCDLSA-N -1 1 381.444 1.193 20 0 GDADMM CC1(C)C(C(=O)NC[C@@H]2[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)C1(C)C ZINC001575619305 950622318 /nfs/dbraw/zinc/62/23/18/950622318.db2.gz OULZLNHWELKICB-CNDDSTCGSA-N -1 1 382.472 1.137 20 0 GDADMM CC1(C)C(C(=O)NC[C@@H]2[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)C1(C)C ZINC001575619305 950622334 /nfs/dbraw/zinc/62/23/34/950622334.db2.gz OULZLNHWELKICB-CNDDSTCGSA-N -1 1 382.472 1.137 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001574515160 950622614 /nfs/dbraw/zinc/62/26/14/950622614.db2.gz AQZBIWVEQZMIBV-YDHLFZDLSA-N -1 1 384.488 1.602 20 0 GDADMM CC1(C)C(C(=O)N[C@@H]2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)C1(C)C ZINC001575619805 950624123 /nfs/dbraw/zinc/62/41/23/950624123.db2.gz PTAVTXGXXICCBJ-VXGBXAGGSA-N -1 1 384.488 1.458 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001574515159 950625421 /nfs/dbraw/zinc/62/54/21/950625421.db2.gz AQZBIWVEQZMIBV-UMVBOHGHSA-N -1 1 384.488 1.602 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001574517682 950646979 /nfs/dbraw/zinc/64/69/79/950646979.db2.gz LHOAWEWSZPJWCO-GUBZILKMSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001574517682 950646992 /nfs/dbraw/zinc/64/69/92/950646992.db2.gz LHOAWEWSZPJWCO-GUBZILKMSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)c(Cl)[nH]1)Nc1nccnc1-c1nnn[n-]1 ZINC001575002065 950650584 /nfs/dbraw/zinc/65/05/84/950650584.db2.gz YUZHMHIXKYVABT-LURJTMIESA-N -1 1 382.215 1.522 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)c(Cl)[nH]1)Nc1nccnc1-c1nn[n-]n1 ZINC001575002065 950650597 /nfs/dbraw/zinc/65/05/97/950650597.db2.gz YUZHMHIXKYVABT-LURJTMIESA-N -1 1 382.215 1.522 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574518688 950654994 /nfs/dbraw/zinc/65/49/94/950654994.db2.gz PQXIFAQJDPPMES-BPLDGKMQSA-N -1 1 378.440 1.332 20 0 GDADMM CC(C)c1ncc(C(=O)N(C)C[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)s1 ZINC001574760237 950661874 /nfs/dbraw/zinc/66/18/74/950661874.db2.gz HWCXKGIGYNVYKI-SNVBAGLBSA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)c1ncc(C(=O)N(C)C[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)s1 ZINC001574760237 950661891 /nfs/dbraw/zinc/66/18/91/950661891.db2.gz HWCXKGIGYNVYKI-SNVBAGLBSA-N -1 1 387.473 1.809 20 0 GDADMM C[C@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C[C@H]1O ZINC001576214077 950662347 /nfs/dbraw/zinc/66/23/47/950662347.db2.gz MNCDSGLRCBUEGF-GZMMTYOYSA-N -1 1 391.375 1.277 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575625598 950690036 /nfs/dbraw/zinc/69/00/36/950690036.db2.gz SKWDTZARAARNGO-LBPRGKRZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccnn1C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574761141 950692830 /nfs/dbraw/zinc/69/28/30/950692830.db2.gz RAYAYXUSBLGNRT-ZETCQYMHSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccnn1C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574761141 950692843 /nfs/dbraw/zinc/69/28/43/950692843.db2.gz RAYAYXUSBLGNRT-ZETCQYMHSA-N -1 1 381.853 1.283 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NCCC1(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573877793 950697065 /nfs/dbraw/zinc/69/70/65/950697065.db2.gz GLPWNAZHGQXIGX-CHWSQXEVSA-N -1 1 384.488 1.459 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573878222 950701767 /nfs/dbraw/zinc/70/17/67/950701767.db2.gz LFPKJKDCEPFTDD-MGPQQGTHSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573878222 950701786 /nfs/dbraw/zinc/70/17/86/950701786.db2.gz LFPKJKDCEPFTDD-MGPQQGTHSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)n1nccc1C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)[C@H]1C ZINC001575926337 950708468 /nfs/dbraw/zinc/70/84/68/950708468.db2.gz JJGZZWJVQOVKFW-NEPJUHHUSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1nccc1C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)[C@H]1C ZINC001575926337 950708483 /nfs/dbraw/zinc/70/84/83/950708483.db2.gz JJGZZWJVQOVKFW-NEPJUHHUSA-N -1 1 382.432 1.149 20 0 GDADMM C[C@H](CC(=O)Nc1ccc(Oc2ccnc(-c3nnn[n-]3)c2)cc1)NC(N)=O ZINC001574520071 950711735 /nfs/dbraw/zinc/71/17/35/950711735.db2.gz LAYSWCIAULGEEP-SNVBAGLBSA-N -1 1 382.384 1.439 20 0 GDADMM C[C@H](CC(=O)Nc1ccc(Oc2ccnc(-c3nn[n-]n3)c2)cc1)NC(N)=O ZINC001574520071 950711740 /nfs/dbraw/zinc/71/17/40/950711740.db2.gz LAYSWCIAULGEEP-SNVBAGLBSA-N -1 1 382.384 1.439 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)C1Cc2ccccc2C1 ZINC001575926597 950715071 /nfs/dbraw/zinc/71/50/71/950715071.db2.gz KPAUPNDCTYYHRC-MLGOLLRUSA-N -1 1 390.451 1.473 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)C1Cc2ccccc2C1 ZINC001575926597 950715092 /nfs/dbraw/zinc/71/50/92/950715092.db2.gz KPAUPNDCTYYHRC-MLGOLLRUSA-N -1 1 390.451 1.473 20 0 GDADMM CC1(C)CC(C(=O)NCC2(Nc3nccnc3-c3nnn[n-]3)CCOCC2)C1 ZINC001575628245 950715230 /nfs/dbraw/zinc/71/52/30/950715230.db2.gz AMWWSKYZOHMENL-UHFFFAOYSA-N -1 1 386.460 1.170 20 0 GDADMM CC1(C)CC(C(=O)NCC2(Nc3nccnc3-c3nn[n-]n3)CCOCC2)C1 ZINC001575628245 950715243 /nfs/dbraw/zinc/71/52/43/950715243.db2.gz AMWWSKYZOHMENL-UHFFFAOYSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(-c3nnn[n-]3)o2)[C@@H]1C ZINC001576216027 950718712 /nfs/dbraw/zinc/71/87/12/950718712.db2.gz XWFCYVPSBJXDOV-JHJVBQTASA-N -1 1 384.444 1.838 20 0 GDADMM C[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(-c3nn[n-]n3)o2)[C@@H]1C ZINC001576216027 950718735 /nfs/dbraw/zinc/71/87/35/950718735.db2.gz XWFCYVPSBJXDOV-JHJVBQTASA-N -1 1 384.444 1.838 20 0 GDADMM CC(C)CCC(=O)NC[C@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1 ZINC001574180358 950726341 /nfs/dbraw/zinc/72/63/41/950726341.db2.gz SJLBHVZNKBIDQM-ZDUSSCGKSA-N -1 1 378.502 1.681 20 0 GDADMM C[C@H]1CN(C(=O)C(C2CC2)C2CC2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576216220 950729013 /nfs/dbraw/zinc/72/90/13/950729013.db2.gz DCGKFLPGLKQMRQ-SMDDNHRTSA-N -1 1 382.472 1.021 20 0 GDADMM C[C@H](CN(C)C(=O)c1cncc2ccccc21)Nc1nccnc1-c1nnn[n-]1 ZINC001574764186 950746970 /nfs/dbraw/zinc/74/69/70/950746970.db2.gz QVZMDDUZFABOGM-GFCCVEGCSA-N -1 1 389.423 1.778 20 0 GDADMM C[C@H](CN(C)C(=O)c1cncc2ccccc21)Nc1nccnc1-c1nn[n-]n1 ZINC001574764186 950746984 /nfs/dbraw/zinc/74/69/84/950746984.db2.gz QVZMDDUZFABOGM-GFCCVEGCSA-N -1 1 389.423 1.778 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C(F)(F)F)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576217419 950762480 /nfs/dbraw/zinc/76/24/80/950762480.db2.gz HPUOFACWAGBMFM-WPRPVWTQSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C(F)(F)F)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576217419 950762501 /nfs/dbraw/zinc/76/25/01/950762501.db2.gz HPUOFACWAGBMFM-WPRPVWTQSA-N -1 1 384.366 1.504 20 0 GDADMM CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001574183902 950766458 /nfs/dbraw/zinc/76/64/58/950766458.db2.gz AYDZFGHWUNFXJE-JTQLQIEISA-N -1 1 378.437 1.858 20 0 GDADMM C[C@@H]1[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)CCN1C(=O)CC(C)(C)O ZINC001575930030 950790257 /nfs/dbraw/zinc/79/02/57/950790257.db2.gz DFAHTZUYWAHJSX-SFYZADRCSA-N -1 1 385.881 1.539 20 0 GDADMM C[C@@H]1[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCN1C(=O)CC(C)(C)O ZINC001575930030 950790272 /nfs/dbraw/zinc/79/02/72/950790272.db2.gz DFAHTZUYWAHJSX-SFYZADRCSA-N -1 1 385.881 1.539 20 0 GDADMM C[C@H](CN(C)C(=O)c1coc(CC2CC2)n1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574765717 950795201 /nfs/dbraw/zinc/79/52/01/950795201.db2.gz JVYUOGMXZXVRIZ-SNVBAGLBSA-N -1 1 383.416 1.170 20 0 GDADMM C[C@H](CN(C)C(=O)c1coc(CC2CC2)n1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574765717 950795216 /nfs/dbraw/zinc/79/52/16/950795216.db2.gz JVYUOGMXZXVRIZ-SNVBAGLBSA-N -1 1 383.416 1.170 20 0 GDADMM CC(C)CCCC(=O)N1CCC[C@](CO)(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574186253 950804555 /nfs/dbraw/zinc/80/45/55/950804555.db2.gz AINJLPPGJKIPKO-SFHVURJKSA-N -1 1 388.476 1.248 20 0 GDADMM CC(C)CCCC(=O)N1CCC[C@](CO)(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574186253 950804575 /nfs/dbraw/zinc/80/45/75/950804575.db2.gz AINJLPPGJKIPKO-SFHVURJKSA-N -1 1 388.476 1.248 20 0 GDADMM CC(C)n1nccc1C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001575932242 950823542 /nfs/dbraw/zinc/82/35/42/950823542.db2.gz LAUFZKOFJMSBJS-RYUDHWBXSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1nccc1C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001575932242 950823570 /nfs/dbraw/zinc/82/35/70/950823570.db2.gz LAUFZKOFJMSBJS-RYUDHWBXSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)c1nnsc1C(=O)N(C)C[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574768264 950882930 /nfs/dbraw/zinc/88/29/30/950882930.db2.gz SRQBAMJWYBYPRX-VIFPVBQESA-N -1 1 388.461 1.204 20 0 GDADMM CC(C)c1nnsc1C(=O)N(C)C[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574768264 950882956 /nfs/dbraw/zinc/88/29/56/950882956.db2.gz SRQBAMJWYBYPRX-VIFPVBQESA-N -1 1 388.461 1.204 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)CCCCC2)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576226753 950889195 /nfs/dbraw/zinc/88/91/95/950889195.db2.gz ALKFWXIWOIKIEY-KGLIPLIRSA-N -1 1 384.488 1.698 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ocnc1C1CC1 ZINC001575935575 950889338 /nfs/dbraw/zinc/88/93/38/950889338.db2.gz YERDCNORCBOAMJ-KOLCDFICSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ocnc1C1CC1 ZINC001575935575 950889356 /nfs/dbraw/zinc/88/93/56/950889356.db2.gz YERDCNORCBOAMJ-KOLCDFICSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@H]1CN(C(=O)C2(F)CCCCC2)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576227129 950901707 /nfs/dbraw/zinc/90/17/07/950901707.db2.gz CGNFYIUMWZBKIA-QWHCGFSZSA-N -1 1 388.451 1.400 20 0 GDADMM CC1(CC(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)CC(C)(C)C2)CC1 ZINC001575642346 950937222 /nfs/dbraw/zinc/93/72/22/950937222.db2.gz SYPANJIRVBQYLT-ZDUSSCGKSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(CC(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)CC(C)(C)C2)CC1 ZINC001575642346 950937238 /nfs/dbraw/zinc/93/72/38/950937238.db2.gz SYPANJIRVBQYLT-ZDUSSCGKSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(CC(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001573895438 950938673 /nfs/dbraw/zinc/93/86/73/950938673.db2.gz AYPNKKDBGHPHPH-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(CC(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573895438 950938685 /nfs/dbraw/zinc/93/86/85/950938685.db2.gz AYPNKKDBGHPHPH-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H]1CN(C(=O)C=Cc2ccco2)CC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576228864 950954652 /nfs/dbraw/zinc/95/46/52/950954652.db2.gz LKWPADGWLQZTHN-CGDMSBDMSA-N -1 1 380.412 1.612 20 0 GDADMM C[C@@H]1CN(C(=O)C=Cc2ccco2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576228864 950954664 /nfs/dbraw/zinc/95/46/64/950954664.db2.gz LKWPADGWLQZTHN-CGDMSBDMSA-N -1 1 380.412 1.612 20 0 GDADMM CC(C)(CC(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)c1ccccc1 ZINC001573897227 950957053 /nfs/dbraw/zinc/95/70/53/950957053.db2.gz MXNMKODIPDJUNN-UHFFFAOYSA-N -1 1 392.467 1.673 20 0 GDADMM CC(C)(CC(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)c1ccccc1 ZINC001573897227 950957069 /nfs/dbraw/zinc/95/70/69/950957069.db2.gz MXNMKODIPDJUNN-UHFFFAOYSA-N -1 1 392.467 1.673 20 0 GDADMM C[C@@H]1CN(C(=O)CC(C)(C)C2CC2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576229452 950968785 /nfs/dbraw/zinc/96/87/85/950968785.db2.gz MVCYTALLRHRFCJ-OLZOCXBDSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H]1CN(C(=O)CC(C)(C)C2CC2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576229452 950968797 /nfs/dbraw/zinc/96/87/97/950968797.db2.gz MVCYTALLRHRFCJ-OLZOCXBDSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)(CC(=O)N[C@](C)(CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)C1CC1 ZINC001573898323 950975154 /nfs/dbraw/zinc/97/51/54/950975154.db2.gz YUPGERRCNHIRAJ-LJQANCHMSA-N -1 1 384.488 1.602 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)F)c(F)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575017122 950977511 /nfs/dbraw/zinc/97/75/11/950977511.db2.gz AHZFBWVJYZAPOT-QMMMGPOBSA-N -1 1 392.345 1.964 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)F)c(F)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575017122 950977533 /nfs/dbraw/zinc/97/75/33/950977533.db2.gz AHZFBWVJYZAPOT-QMMMGPOBSA-N -1 1 392.345 1.964 20 0 GDADMM CC(C)(CC(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001573899603 950982093 /nfs/dbraw/zinc/98/20/93/950982093.db2.gz HPYBUQBFZKUJRH-KYZUINATSA-N -1 1 384.366 1.694 20 0 GDADMM CC(C)(CC(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573899603 950982096 /nfs/dbraw/zinc/98/20/96/950982096.db2.gz HPYBUQBFZKUJRH-KYZUINATSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@H]1CN(C(=O)C2C=CC=CC=C2)CC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576230287 950999678 /nfs/dbraw/zinc/99/96/78/950999678.db2.gz ANKRLIGRIWOUQY-GOEBONIOSA-N -1 1 392.467 1.274 20 0 GDADMM CC(C)c1ccc(C(=O)NC[C@@H](C)CNc2ccc(-c3nnn[n-]3)nn2)cn1 ZINC001575017521 951001547 /nfs/dbraw/zinc/00/15/47/951001547.db2.gz HCRJNFMOPOVOSB-LBPRGKRZSA-N -1 1 381.444 1.653 20 0 GDADMM CC(C)c1ccc(C(=O)NC[C@@H](C)CNc2ccc(-c3nn[n-]n3)nn2)cn1 ZINC001575017521 951001569 /nfs/dbraw/zinc/00/15/69/951001569.db2.gz HCRJNFMOPOVOSB-LBPRGKRZSA-N -1 1 381.444 1.653 20 0 GDADMM CC(C)c1ccc(C(=O)NC[C@@H](C)CNc2ccc(-c3nnn[n-]3)nn2)nc1 ZINC001575017644 951002487 /nfs/dbraw/zinc/00/24/87/951002487.db2.gz IIMRGFMYUBRPNE-LBPRGKRZSA-N -1 1 381.444 1.653 20 0 GDADMM CC(C)c1ccc(C(=O)NC[C@@H](C)CNc2ccc(-c3nn[n-]n3)nn2)nc1 ZINC001575017644 951002502 /nfs/dbraw/zinc/00/25/02/951002502.db2.gz IIMRGFMYUBRPNE-LBPRGKRZSA-N -1 1 381.444 1.653 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)F)nc1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575018140 951015770 /nfs/dbraw/zinc/01/57/70/951015770.db2.gz LGPVOJLNJAVUNN-VIFPVBQESA-N -1 1 389.370 1.467 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)F)nc1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575018140 951015784 /nfs/dbraw/zinc/01/57/84/951015784.db2.gz LGPVOJLNJAVUNN-VIFPVBQESA-N -1 1 389.370 1.467 20 0 GDADMM CC(C)c1ccc(C(=O)NC[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)c(=O)[nH]1 ZINC001575019053 951030197 /nfs/dbraw/zinc/03/01/97/951030197.db2.gz QEYQOVOUNOQAHW-JTQLQIEISA-N -1 1 383.416 1.111 20 0 GDADMM CC(C)c1ccc(C(=O)NC[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)c(=O)[nH]1 ZINC001575019053 951030212 /nfs/dbraw/zinc/03/02/12/951030212.db2.gz QEYQOVOUNOQAHW-JTQLQIEISA-N -1 1 383.416 1.111 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)c(F)c1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575024180 951092871 /nfs/dbraw/zinc/09/28/71/951092871.db2.gz XKBJIYJVLFDQSC-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)c(F)c1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575024180 951092880 /nfs/dbraw/zinc/09/28/80/951092880.db2.gz XKBJIYJVLFDQSC-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)C[C@H](C)O2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575024317 951098990 /nfs/dbraw/zinc/09/89/90/951098990.db2.gz ASMJGEKCQMHGTO-QWRGUYRKSA-N -1 1 380.412 1.211 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)C[C@H](C)O2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575024317 951099006 /nfs/dbraw/zinc/09/90/06/951099006.db2.gz ASMJGEKCQMHGTO-QWRGUYRKSA-N -1 1 380.412 1.211 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCCC2)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575024296 951100245 /nfs/dbraw/zinc/10/02/45/951100245.db2.gz ACHCWLSHPJPORQ-ZDUSSCGKSA-N -1 1 392.467 1.790 20 0 GDADMM CC(C)Oc1ccc(C(=O)NC[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001575024398 951102456 /nfs/dbraw/zinc/10/24/56/951102456.db2.gz CZJGMCFEIDHNJX-LBPRGKRZSA-N -1 1 382.428 1.674 20 0 GDADMM CC(C)Oc1ccc(C(=O)NC[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001575024398 951102467 /nfs/dbraw/zinc/10/24/67/951102467.db2.gz CZJGMCFEIDHNJX-LBPRGKRZSA-N -1 1 382.428 1.674 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575024953 951121391 /nfs/dbraw/zinc/12/13/91/951121391.db2.gz QIZZTARORQKEFF-GFCCVEGCSA-N -1 1 378.440 1.766 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575024953 951121401 /nfs/dbraw/zinc/12/14/01/951121401.db2.gz QIZZTARORQKEFF-GFCCVEGCSA-N -1 1 378.440 1.766 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)cn1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575025133 951126506 /nfs/dbraw/zinc/12/65/06/951126506.db2.gz VRBRSHVEDMXPOZ-LURJTMIESA-N -1 1 382.812 1.741 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)COC2)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575025435 951129844 /nfs/dbraw/zinc/12/98/44/951129844.db2.gz ZHGBAHDUPYCYDV-NSHDSACASA-N -1 1 380.412 1.165 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)COC2)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575025435 951129853 /nfs/dbraw/zinc/12/98/53/951129853.db2.gz ZHGBAHDUPYCYDV-NSHDSACASA-N -1 1 380.412 1.165 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCCC2)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575025381 951131440 /nfs/dbraw/zinc/13/14/40/951131440.db2.gz YRNGXVOMUNCVKT-ZDUSSCGKSA-N -1 1 392.467 1.435 20 0 GDADMM C[C@H](CNC(=O)c1cccc(C2CCC2)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575027530 951157013 /nfs/dbraw/zinc/15/70/13/951157013.db2.gz RPMIUSMWLFMGNU-GFCCVEGCSA-N -1 1 378.440 1.577 20 0 GDADMM C[C@H](CNC(=O)c1ccccc1C1(C)CC1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575029846 951190117 /nfs/dbraw/zinc/19/01/17/951190117.db2.gz YBPGMJUXGQEDPU-CYBMUJFWSA-N -1 1 392.467 1.963 20 0 GDADMM C[C@H](CNC(=O)c1ccccc1C1(C)CC1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575029846 951190126 /nfs/dbraw/zinc/19/01/26/951190126.db2.gz YBPGMJUXGQEDPU-CYBMUJFWSA-N -1 1 392.467 1.963 20 0 GDADMM C[C@H](CNC(=O)c1ccccc1O)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575030092 951190925 /nfs/dbraw/zinc/19/09/25/951190925.db2.gz ZSVPTJSBZCDNDU-SSDOTTSWSA-N -1 1 379.833 1.913 20 0 GDADMM C[C@H](CNC(=O)c1ccccc1O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575030092 951190931 /nfs/dbraw/zinc/19/09/31/951190931.db2.gz ZSVPTJSBZCDNDU-SSDOTTSWSA-N -1 1 379.833 1.913 20 0 GDADMM C[C@@H](CNC(=O)c1ccnnc1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575033921 951231746 /nfs/dbraw/zinc/23/17/46/951231746.db2.gz DXQSTBBXTAXRTO-ZETCQYMHSA-N -1 1 379.837 1.021 20 0 GDADMM CC(C)Oc1cc(C(=O)NC[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)ccn1 ZINC001575036924 951305071 /nfs/dbraw/zinc/30/50/71/951305071.db2.gz YROUGVOWWKJDGY-NSHDSACASA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1cc(C(=O)NC[C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)ccn1 ZINC001575036924 951305084 /nfs/dbraw/zinc/30/50/84/951305084.db2.gz YROUGVOWWKJDGY-NSHDSACASA-N -1 1 383.416 1.069 20 0 GDADMM O=C([O-])CC[C@@H]1CCCN(CC(=O)NCCOc2ccc3c(c2)OCO3)C1 ZINC001595019012 951306466 /nfs/dbraw/zinc/30/64/66/951306466.db2.gz LORGYNAZOWSZEX-AWEZNQCLSA-N -1 1 378.425 1.487 20 0 GDADMM C[C@@H](CNC(=O)c1cncs1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575052727 951470873 /nfs/dbraw/zinc/47/08/73/951470873.db2.gz NGALPPVNYLLMSN-LURJTMIESA-N -1 1 384.878 1.688 20 0 GDADMM C[C@@H](CNC(=O)c1cncs1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575052727 951470881 /nfs/dbraw/zinc/47/08/81/951470881.db2.gz NGALPPVNYLLMSN-LURJTMIESA-N -1 1 384.878 1.688 20 0 GDADMM CC(C)n1ncc(C(=O)NC[C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)c1Cl ZINC001575053631 951478455 /nfs/dbraw/zinc/47/84/55/951478455.db2.gz SMTLPSJPARFACC-SECBINFHSA-N -1 1 390.839 1.318 20 0 GDADMM CC(C)n1ncc(C(=O)NC[C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)c1Cl ZINC001575053631 951478461 /nfs/dbraw/zinc/47/84/61/951478461.db2.gz SMTLPSJPARFACC-SECBINFHSA-N -1 1 390.839 1.318 20 0 GDADMM C[C@H](CNC(=O)c1csc(C(C)(C)C)n1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575058946 951537833 /nfs/dbraw/zinc/53/78/33/951537833.db2.gz WXLGCZBYSSYQMU-SECBINFHSA-N -1 1 387.473 1.641 20 0 GDADMM C[C@H](CNC(=O)c1csc(C(C)(C)C)n1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575058946 951537844 /nfs/dbraw/zinc/53/78/44/951537844.db2.gz WXLGCZBYSSYQMU-SECBINFHSA-N -1 1 387.473 1.641 20 0 GDADMM C[C@@H](CNC(=O)c1sccc1Cl)CNc1nccnc1-c1nnn[n-]1 ZINC001575070205 951650310 /nfs/dbraw/zinc/65/03/10/951650310.db2.gz PFFBCNDTSBUGHH-MRVPVSSYSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@@H](CNC(=O)c1sccc1Cl)CNc1nccnc1-c1nn[n-]n1 ZINC001575070205 951650320 /nfs/dbraw/zinc/65/03/20/951650320.db2.gz PFFBCNDTSBUGHH-MRVPVSSYSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@H](CNC(=O)c1sccc1Cl)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575070565 951651941 /nfs/dbraw/zinc/65/19/41/951651941.db2.gz RMMIONCRNRUFLD-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)C1C=CC=CC=C1)C1CC1 ZINC001575128856 952072182 /nfs/dbraw/zinc/07/21/82/952072182.db2.gz NKRLZCHPCVNPJU-IBGZPJMESA-N -1 1 378.440 1.652 20 0 GDADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)C1C=CC=CC=C1)C1CC1 ZINC001575128856 952072191 /nfs/dbraw/zinc/07/21/91/952072191.db2.gz NKRLZCHPCVNPJU-IBGZPJMESA-N -1 1 378.440 1.652 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ccc(N(C)C)cc1 ZINC001575131774 952089080 /nfs/dbraw/zinc/08/90/80/952089080.db2.gz BFCUBUOVLDNLNU-GFCCVEGCSA-N -1 1 381.444 1.295 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ccc(N(C)C)cc1 ZINC001575131774 952089088 /nfs/dbraw/zinc/08/90/88/952089088.db2.gz BFCUBUOVLDNLNU-GFCCVEGCSA-N -1 1 381.444 1.295 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H]1CCc2ccccc2C1 ZINC001575135351 952117486 /nfs/dbraw/zinc/11/74/86/952117486.db2.gz QSDGOJXRWJQDFK-CZUORRHYSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H]1CCc2ccccc2C1 ZINC001575135351 952117491 /nfs/dbraw/zinc/11/74/91/952117491.db2.gz QSDGOJXRWJQDFK-CZUORRHYSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)C1C(C)(C)C1(C)C)C1CC1 ZINC001575137035 952132209 /nfs/dbraw/zinc/13/22/09/952132209.db2.gz SGYBDACWUMMOFM-IBGZPJMESA-N -1 1 384.488 1.458 20 0 GDADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)CCc1ccco1)C1CC1 ZINC001575139843 952142711 /nfs/dbraw/zinc/14/27/11/952142711.db2.gz CLNWQBPGWABKER-SFHVURJKSA-N -1 1 382.428 1.001 20 0 GDADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)[C@@H]1C[C@H]1C1CCC1)C1CC1 ZINC001575141515 952145504 /nfs/dbraw/zinc/14/55/04/952145504.db2.gz HTXJNISSGLKEPA-IQUTYRLHSA-N -1 1 382.472 1.212 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)CCCc1cccs1 ZINC001575142787 952147887 /nfs/dbraw/zinc/14/78/87/952147887.db2.gz LTZPEILWGYUYFE-GFCCVEGCSA-N -1 1 386.485 1.422 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cccc2c1CCCC2 ZINC001575143905 952159775 /nfs/dbraw/zinc/15/97/75/952159775.db2.gz DOWSTCYVRMTQIS-ZDUSSCGKSA-N -1 1 392.467 1.530 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccccc1C1(C)CC1 ZINC001575144911 952173632 /nfs/dbraw/zinc/17/36/32/952173632.db2.gz NPKHIVKLPHMRCH-CYBMUJFWSA-N -1 1 392.467 1.703 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)C[C@H]1CCCC1(F)F ZINC001575154228 952218537 /nfs/dbraw/zinc/21/85/37/952218537.db2.gz QIZCKBZCGSNIMX-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)C[C@H]1CCCC1(F)F ZINC001575154228 952218543 /nfs/dbraw/zinc/21/85/43/952218543.db2.gz QIZCKBZCGSNIMX-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ccc2c(c1)COC2 ZINC001575154617 952227879 /nfs/dbraw/zinc/22/78/79/952227879.db2.gz FXGBHXQIJQUTAN-LLVKDONJSA-N -1 1 380.412 1.260 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ccc2c(c1)COC2 ZINC001575154617 952227882 /nfs/dbraw/zinc/22/78/82/952227882.db2.gz FXGBHXQIJQUTAN-LLVKDONJSA-N -1 1 380.412 1.260 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H](C)Cc1ccccc1 ZINC001575154709 952229932 /nfs/dbraw/zinc/22/99/32/952229932.db2.gz UZNNUHKBIKYHIK-UONOGXRCSA-N -1 1 380.456 1.794 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H](C)Cc1ccccc1 ZINC001575154709 952229938 /nfs/dbraw/zinc/22/99/38/952229938.db2.gz UZNNUHKBIKYHIK-UONOGXRCSA-N -1 1 380.456 1.794 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)COc1ccc(F)cc1 ZINC001575154753 952231899 /nfs/dbraw/zinc/23/18/99/952231899.db2.gz VJDVRFAKVXOFIZ-NSHDSACASA-N -1 1 386.391 1.134 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)COc1ccc(F)cc1 ZINC001575154753 952231907 /nfs/dbraw/zinc/23/19/07/952231907.db2.gz VJDVRFAKVXOFIZ-NSHDSACASA-N -1 1 386.391 1.134 20 0 GDADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)c1ccc(F)cc1)C1CC1 ZINC001575155056 952235279 /nfs/dbraw/zinc/23/52/79/952235279.db2.gz JWMCPVPHMNCYHO-SFHVURJKSA-N -1 1 382.403 1.806 20 0 GDADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)c1ccc(F)cc1)C1CC1 ZINC001575155056 952235283 /nfs/dbraw/zinc/23/52/83/952235283.db2.gz JWMCPVPHMNCYHO-SFHVURJKSA-N -1 1 382.403 1.806 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001575155478 952239994 /nfs/dbraw/zinc/23/99/94/952239994.db2.gz ZHTDPTKDUWYMRT-IINYFYTJSA-N -1 1 382.403 1.395 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001575155478 952239999 /nfs/dbraw/zinc/23/99/99/952239999.db2.gz ZHTDPTKDUWYMRT-IINYFYTJSA-N -1 1 382.403 1.395 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)C(C)(C)CC(F)(F)F ZINC001575156001 952247662 /nfs/dbraw/zinc/24/76/62/952247662.db2.gz QPQLOUGOAPCIPC-SECBINFHSA-N -1 1 386.382 1.894 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)C(C)(C)CC(F)(F)F ZINC001575156001 952247665 /nfs/dbraw/zinc/24/76/65/952247665.db2.gz QPQLOUGOAPCIPC-SECBINFHSA-N -1 1 386.382 1.894 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ccc2[nH]ccc2n1 ZINC001575156286 952249779 /nfs/dbraw/zinc/24/97/79/952249779.db2.gz SCMLVGULECRTQM-SNVBAGLBSA-N -1 1 378.400 1.106 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ccc2[nH]ccc2n1 ZINC001575156286 952249786 /nfs/dbraw/zinc/24/97/86/952249786.db2.gz SCMLVGULECRTQM-SNVBAGLBSA-N -1 1 378.400 1.106 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H]1CCc2ccccc2C1 ZINC001575156680 952256670 /nfs/dbraw/zinc/25/66/70/952256670.db2.gz HLVBLEAFEJICJP-XJKSGUPXSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCc2ccccc2C1 ZINC001575156680 952256674 /nfs/dbraw/zinc/25/66/74/952256674.db2.gz HLVBLEAFEJICJP-XJKSGUPXSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H]1CCc2ccccc2C1 ZINC001575156679 952256719 /nfs/dbraw/zinc/25/67/19/952256719.db2.gz HLVBLEAFEJICJP-CZUORRHYSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCc2ccccc2C1 ZINC001575156679 952256722 /nfs/dbraw/zinc/25/67/22/952256722.db2.gz HLVBLEAFEJICJP-CZUORRHYSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)C[C@H]1CCCC1(F)F ZINC001575158403 952271520 /nfs/dbraw/zinc/27/15/20/952271520.db2.gz URNUIABQEIKJLK-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)C[C@H]1CCCC1(F)F ZINC001575158403 952271524 /nfs/dbraw/zinc/27/15/24/952271524.db2.gz URNUIABQEIKJLK-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)[C@@]1(F)CCOC1 ZINC001575164597 952295889 /nfs/dbraw/zinc/29/58/89/952295889.db2.gz FYYKQOMYROKHKG-WPPNPWJKSA-N -1 1 389.844 1.364 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)Cc1cc[nH]n1 ZINC001575165371 952307994 /nfs/dbraw/zinc/30/79/94/952307994.db2.gz NYPFBJFTXIAPLJ-SSDOTTSWSA-N -1 1 381.853 1.201 20 0 GDADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)[C@@H]1CC1(F)F ZINC001575165913 952315092 /nfs/dbraw/zinc/31/50/92/952315092.db2.gz RCERQZURXLNUQG-RITPCOANSA-N -1 1 377.808 1.891 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)[C@@H]1CCCOC1 ZINC001575166369 952324029 /nfs/dbraw/zinc/32/40/29/952324029.db2.gz VMZYOOFRTNOESI-DTWKUNHWSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)[C@@H]1CCCOC1 ZINC001575166369 952324037 /nfs/dbraw/zinc/32/40/37/952324037.db2.gz VMZYOOFRTNOESI-DTWKUNHWSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)c1cnns1 ZINC001575174611 952376960 /nfs/dbraw/zinc/37/69/60/952376960.db2.gz AJSDJUNSPWNDRW-YFKPBYRVSA-N -1 1 385.866 1.401 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)c1cnns1 ZINC001575174611 952376965 /nfs/dbraw/zinc/37/69/65/952376965.db2.gz AJSDJUNSPWNDRW-YFKPBYRVSA-N -1 1 385.866 1.401 20 0 GDADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)C1CC1 ZINC001575174934 952381320 /nfs/dbraw/zinc/38/13/20/952381320.db2.gz UPIXKKYNAORMDP-UMCXVIDHSA-N -1 1 382.472 1.790 20 0 GDADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)C1CC1 ZINC001575174934 952381326 /nfs/dbraw/zinc/38/13/26/952381326.db2.gz UPIXKKYNAORMDP-UMCXVIDHSA-N -1 1 382.472 1.790 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)C(C)(C)C1CCOCC1 ZINC001575175724 952388793 /nfs/dbraw/zinc/38/87/93/952388793.db2.gz YCQZQHVOHORWJW-GFCCVEGCSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)C(C)(C)C1CCOCC1 ZINC001575175724 952388802 /nfs/dbraw/zinc/38/88/02/952388802.db2.gz YCQZQHVOHORWJW-GFCCVEGCSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)CCn1cccc1)C1CC1 ZINC001575175821 952389504 /nfs/dbraw/zinc/38/95/04/952389504.db2.gz YSLSWSLMJVUXTC-GOSISDBHSA-N -1 1 381.444 1.245 20 0 GDADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)CCn1cccc1)C1CC1 ZINC001575175821 952389511 /nfs/dbraw/zinc/38/95/11/952389511.db2.gz YSLSWSLMJVUXTC-GOSISDBHSA-N -1 1 381.444 1.245 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1csc(Cl)c1 ZINC001575176943 952396147 /nfs/dbraw/zinc/39/61/47/952396147.db2.gz FOWMTCCRDYYXDG-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1csc(Cl)c1 ZINC001575176943 952396153 /nfs/dbraw/zinc/39/61/53/952396153.db2.gz FOWMTCCRDYYXDG-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ncsc1C1CC1 ZINC001575178766 952407381 /nfs/dbraw/zinc/40/73/81/952407381.db2.gz MRSOMNKRSRBFDS-VIFPVBQESA-N -1 1 385.457 1.563 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ncsc1C1CC1 ZINC001575178766 952407386 /nfs/dbraw/zinc/40/73/86/952407386.db2.gz MRSOMNKRSRBFDS-VIFPVBQESA-N -1 1 385.457 1.563 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ccnc(C2CC2)c1 ZINC001575181173 952421302 /nfs/dbraw/zinc/42/13/02/952421302.db2.gz ZPEXHFVGTSIWCX-NSHDSACASA-N -1 1 379.428 1.502 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ccnc(C2CC2)c1 ZINC001575181173 952421305 /nfs/dbraw/zinc/42/13/05/952421305.db2.gz ZPEXHFVGTSIWCX-NSHDSACASA-N -1 1 379.428 1.502 20 0 GDADMM C[C@](CO)(NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1)c1ccc(O)cc1 ZINC001571114753 952460103 /nfs/dbraw/zinc/46/01/03/952460103.db2.gz NUIVFMLUWBFRQD-QGZVFWFLSA-N -1 1 375.335 1.488 20 0 GDADMM C[C@](CO)(NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1)c1ccc(O)cc1 ZINC001571114753 952460108 /nfs/dbraw/zinc/46/01/08/952460108.db2.gz NUIVFMLUWBFRQD-QGZVFWFLSA-N -1 1 375.335 1.488 20 0 GDADMM C[C@@](CO)(NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1)c1ccc(O)cc1 ZINC001571114752 952460432 /nfs/dbraw/zinc/46/04/32/952460432.db2.gz NUIVFMLUWBFRQD-KRWDZBQOSA-N -1 1 375.335 1.488 20 0 GDADMM C[C@@](CO)(NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1)c1ccc(O)cc1 ZINC001571114752 952460438 /nfs/dbraw/zinc/46/04/38/952460438.db2.gz NUIVFMLUWBFRQD-KRWDZBQOSA-N -1 1 375.335 1.488 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N(C)CCCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575190640 952463566 /nfs/dbraw/zinc/46/35/66/952463566.db2.gz VBNCSUYTVAQDEK-CYBMUJFWSA-N -1 1 384.444 1.413 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N(C)CCCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575190640 952463575 /nfs/dbraw/zinc/46/35/75/952463575.db2.gz VBNCSUYTVAQDEK-CYBMUJFWSA-N -1 1 384.444 1.413 20 0 GDADMM Cc1cc(NC(=O)NCCc2c(F)cc([O-])cc2F)ncc1-c1nn[nH]n1 ZINC001571115232 952464093 /nfs/dbraw/zinc/46/40/93/952464093.db2.gz SGGQRCBBRFKELJ-UHFFFAOYSA-N -1 1 375.339 1.918 20 0 GDADMM COc1ccc([C@@H](O)CNC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)cc1 ZINC001571115773 952470351 /nfs/dbraw/zinc/47/03/51/952470351.db2.gz ZLEBPMRTFNYXDZ-AWEZNQCLSA-N -1 1 375.335 1.617 20 0 GDADMM COc1ccc([C@@H](O)CNC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)cc1 ZINC001571115773 952470356 /nfs/dbraw/zinc/47/03/56/952470356.db2.gz ZLEBPMRTFNYXDZ-AWEZNQCLSA-N -1 1 375.335 1.617 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575196145 952474164 /nfs/dbraw/zinc/47/41/64/952474164.db2.gz DTLHVCYSOZWDFZ-LALPHHSUSA-N -1 1 382.428 1.387 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575196145 952474169 /nfs/dbraw/zinc/47/41/69/952474169.db2.gz DTLHVCYSOZWDFZ-LALPHHSUSA-N -1 1 382.428 1.387 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575196136 952474359 /nfs/dbraw/zinc/47/43/59/952474359.db2.gz DNAFODUJRJSHSH-LBPRGKRZSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575196136 952474365 /nfs/dbraw/zinc/47/43/65/952474365.db2.gz DNAFODUJRJSHSH-LBPRGKRZSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575196169 952474639 /nfs/dbraw/zinc/47/46/39/952474639.db2.gz DXYWCWUFLAPUTO-QWHCGFSZSA-N -1 1 382.428 1.071 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575196169 952474641 /nfs/dbraw/zinc/47/46/41/952474641.db2.gz DXYWCWUFLAPUTO-QWHCGFSZSA-N -1 1 382.428 1.071 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001575197227 952480632 /nfs/dbraw/zinc/48/06/32/952480632.db2.gz QMARBVRNMUTAGJ-QWHCGFSZSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001575197227 952480635 /nfs/dbraw/zinc/48/06/35/952480635.db2.gz QMARBVRNMUTAGJ-QWHCGFSZSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575197305 952482139 /nfs/dbraw/zinc/48/21/39/952482139.db2.gz SJTAMNXSWBMUQB-QWHCGFSZSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001575197596 952485940 /nfs/dbraw/zinc/48/59/40/952485940.db2.gz XKJGCCYTOGOVKC-FZMZJTMJSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001575197596 952485942 /nfs/dbraw/zinc/48/59/42/952485942.db2.gz XKJGCCYTOGOVKC-FZMZJTMJSA-N -1 1 382.428 1.435 20 0 GDADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCN(C(=O)[C@@H]2Cc3ccccc32)C1 ZINC001571120471 952504189 /nfs/dbraw/zinc/50/41/89/952504189.db2.gz NGRCBOKVGOKWHC-UKRRQHHQSA-N -1 1 376.424 1.034 20 0 GDADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCN(C(=O)[C@@H]2Cc3ccccc32)C1 ZINC001571120471 952504197 /nfs/dbraw/zinc/50/41/97/952504197.db2.gz NGRCBOKVGOKWHC-UKRRQHHQSA-N -1 1 376.424 1.034 20 0 GDADMM O=C([C@@H]1CC1(F)F)N1CC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571121026 952512920 /nfs/dbraw/zinc/51/29/20/952512920.db2.gz VGAYHPOYQYMHSX-WDSKDSINSA-N -1 1 375.792 1.645 20 0 GDADMM O=C([C@@H]1CC1(F)F)N1CC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571121026 952512929 /nfs/dbraw/zinc/51/29/29/952512929.db2.gz VGAYHPOYQYMHSX-WDSKDSINSA-N -1 1 375.792 1.645 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001571121043 952513063 /nfs/dbraw/zinc/51/30/63/952513063.db2.gz VLMICUXYLTWCAY-KBMXLJTQSA-N -1 1 376.424 1.505 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001571121043 952513066 /nfs/dbraw/zinc/51/30/66/952513066.db2.gz VLMICUXYLTWCAY-KBMXLJTQSA-N -1 1 376.424 1.505 20 0 GDADMM O=C(c1sccc1Cl)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571121979 952523557 /nfs/dbraw/zinc/52/35/57/952523557.db2.gz GXWXGTCYWBDNHY-UHFFFAOYSA-N -1 1 376.833 1.334 20 0 GDADMM O=C(c1sccc1Cl)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571121979 952523563 /nfs/dbraw/zinc/52/35/63/952523563.db2.gz GXWXGTCYWBDNHY-UHFFFAOYSA-N -1 1 376.833 1.334 20 0 GDADMM O=C(c1cccc(C2CC2)c1)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571122775 952526148 /nfs/dbraw/zinc/52/61/48/952526148.db2.gz KMEUCPAPMHSCHD-OAHLLOKOSA-N -1 1 376.424 1.861 20 0 GDADMM O=C(c1cccc(C2CC2)c1)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571122775 952526150 /nfs/dbraw/zinc/52/61/50/952526150.db2.gz KMEUCPAPMHSCHD-OAHLLOKOSA-N -1 1 376.424 1.861 20 0 GDADMM O=C(c1ccsc1Cl)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571123406 952530337 /nfs/dbraw/zinc/53/03/37/952530337.db2.gz RKKGAPSKGIJUEQ-QMMMGPOBSA-N -1 1 376.833 1.698 20 0 GDADMM O=C(c1ccsc1Cl)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571123406 952530343 /nfs/dbraw/zinc/53/03/43/952530343.db2.gz RKKGAPSKGIJUEQ-QMMMGPOBSA-N -1 1 376.833 1.698 20 0 GDADMM CCc1nc(N[C@H](C)[C@@H]2CCN(C(=O)C(C)(C)F)C2)cc(-c2nnn[n-]2)n1 ZINC001571123818 952532248 /nfs/dbraw/zinc/53/22/48/952532248.db2.gz WLBNQQACCJWOPP-GHMZBOCLSA-N -1 1 376.440 1.616 20 0 GDADMM CCc1nc(N[C@H](C)[C@@H]2CCN(C(=O)C(C)(C)F)C2)cc(-c2nn[n-]n2)n1 ZINC001571123818 952532251 /nfs/dbraw/zinc/53/22/51/952532251.db2.gz WLBNQQACCJWOPP-GHMZBOCLSA-N -1 1 376.440 1.616 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1 ZINC001575215511 952569254 /nfs/dbraw/zinc/56/92/54/952569254.db2.gz VEMHWDOIZURWNV-UWVGGRQHSA-N -1 1 378.387 1.128 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1 ZINC001575215511 952569258 /nfs/dbraw/zinc/56/92/58/952569258.db2.gz VEMHWDOIZURWNV-UWVGGRQHSA-N -1 1 378.387 1.128 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001575221634 952570010 /nfs/dbraw/zinc/57/00/10/952570010.db2.gz AFKMJZXXGFZGGJ-JTQLQIEISA-N -1 1 378.387 1.035 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001575221634 952570018 /nfs/dbraw/zinc/57/00/18/952570018.db2.gz AFKMJZXXGFZGGJ-JTQLQIEISA-N -1 1 378.387 1.035 20 0 GDADMM CCO[C@H]1C[C@H]1C(=O)N1CCC(Nc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001571128822 952571079 /nfs/dbraw/zinc/57/10/79/952571079.db2.gz XTZLDHFNZKWCLG-NEPJUHHUSA-N -1 1 377.474 1.460 20 0 GDADMM O=C(C1CC(F)(F)C1)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571129780 952576896 /nfs/dbraw/zinc/57/68/96/952576896.db2.gz IPIYFZJQEXBSBW-NSHDSACASA-N -1 1 378.387 1.495 20 0 GDADMM O=C(C1CC(F)(F)C1)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571129780 952576899 /nfs/dbraw/zinc/57/68/99/952576899.db2.gz IPIYFZJQEXBSBW-NSHDSACASA-N -1 1 378.387 1.495 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571130156 952578916 /nfs/dbraw/zinc/57/89/16/952578916.db2.gz OWABFYDPMVHHFM-GXSJLCMTSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571130156 952578919 /nfs/dbraw/zinc/57/89/19/952578919.db2.gz OWABFYDPMVHHFM-GXSJLCMTSA-N -1 1 378.387 1.351 20 0 GDADMM O=C([C@H]1CCCCC1(F)F)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571130736 952581969 /nfs/dbraw/zinc/58/19/69/952581969.db2.gz VYVICHHSBNCNSJ-LLVKDONJSA-N -1 1 378.387 1.131 20 0 GDADMM O=C([C@H]1CCCCC1(F)F)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571130736 952581972 /nfs/dbraw/zinc/58/19/72/952581972.db2.gz VYVICHHSBNCNSJ-LLVKDONJSA-N -1 1 378.387 1.131 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2CC(F)(F)C2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001571130761 952582750 /nfs/dbraw/zinc/58/27/50/952582750.db2.gz WXRYJQNSYNDSJJ-KOLCDFICSA-N -1 1 378.387 1.176 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2CC(F)(F)C2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001571130761 952582753 /nfs/dbraw/zinc/58/27/53/952582753.db2.gz WXRYJQNSYNDSJJ-KOLCDFICSA-N -1 1 378.387 1.176 20 0 GDADMM O=C([C@@H]1CCC(F)(F)C1)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571130774 952582831 /nfs/dbraw/zinc/58/28/31/952582831.db2.gz XGYCCIJLUMRNLE-GHMZBOCLSA-N -1 1 378.387 1.495 20 0 GDADMM O=C([C@@H]1CCC(F)(F)C1)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571130774 952582835 /nfs/dbraw/zinc/58/28/35/952582835.db2.gz XGYCCIJLUMRNLE-GHMZBOCLSA-N -1 1 378.387 1.495 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)[C@@H](C)C2)cc1 ZINC001571134051 952585390 /nfs/dbraw/zinc/58/53/90/952585390.db2.gz COQMVEJNOGZENT-ZFWWWQNUSA-N -1 1 378.440 1.752 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)[C@@H](C)C2)cc1 ZINC001571134051 952585392 /nfs/dbraw/zinc/58/53/92/952585392.db2.gz COQMVEJNOGZENT-ZFWWWQNUSA-N -1 1 378.440 1.752 20 0 GDADMM CC(=O)N[C@H]1C[C@@](CNc2nc(C)cc(-c3nnn[n-]3)n2)(c2ccccc2)C1 ZINC001571134138 952586088 /nfs/dbraw/zinc/58/60/88/952586088.db2.gz ARQRENQCWAGXTB-GLRZTSSQSA-N -1 1 378.440 1.614 20 0 GDADMM CC(=O)N[C@H]1C[C@@](CNc2nc(C)cc(-c3nn[n-]n3)n2)(c2ccccc2)C1 ZINC001571134138 952586092 /nfs/dbraw/zinc/58/60/92/952586092.db2.gz ARQRENQCWAGXTB-GLRZTSSQSA-N -1 1 378.440 1.614 20 0 GDADMM Cc1cccc(C(=O)N2CCCN(c3cnc(-c4nnn[n-]4)cn3)CC2)c1C ZINC001571134921 952597557 /nfs/dbraw/zinc/59/75/57/952597557.db2.gz OUMZMWSKDVNPIW-UHFFFAOYSA-N -1 1 378.440 1.626 20 0 GDADMM Cc1cccc(C(=O)N2CCCN(c3cnc(-c4nn[n-]n4)cn3)CC2)c1C ZINC001571134921 952597558 /nfs/dbraw/zinc/59/75/58/952597558.db2.gz OUMZMWSKDVNPIW-UHFFFAOYSA-N -1 1 378.440 1.626 20 0 GDADMM CCc1ccccc1C(=O)N1C[C@@H](C)[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571134985 952598849 /nfs/dbraw/zinc/59/88/49/952598849.db2.gz OIVZYLKOAQNBJV-DOMZBBRYSA-N -1 1 378.440 1.214 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](NC(=O)C3C=CC=CC=C3)C2)n1 ZINC001571135254 952601353 /nfs/dbraw/zinc/60/13/53/952601353.db2.gz RVFPAEKWFMHECU-OAHLLOKOSA-N -1 1 378.440 1.349 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](NC(=O)C3C=CC=CC=C3)C2)n1 ZINC001571135254 952601357 /nfs/dbraw/zinc/60/13/57/952601357.db2.gz RVFPAEKWFMHECU-OAHLLOKOSA-N -1 1 378.440 1.349 20 0 GDADMM Cc1cccc(C(=O)NC[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c1C ZINC001571135413 952603773 /nfs/dbraw/zinc/60/37/73/952603773.db2.gz XHGBBYYJASWLDQ-HDJSIYSDSA-N -1 1 378.440 1.894 20 0 GDADMM Cc1cccc(C(=O)NC[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c1C ZINC001571135413 952603779 /nfs/dbraw/zinc/60/37/79/952603779.db2.gz XHGBBYYJASWLDQ-HDJSIYSDSA-N -1 1 378.440 1.894 20 0 GDADMM CCc1ccc(C(=O)N[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001571135602 952606069 /nfs/dbraw/zinc/60/60/69/952606069.db2.gz YNXWDWQNNZDEBP-OAHLLOKOSA-N -1 1 378.440 1.618 20 0 GDADMM CCc1ccc(C(=O)N[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001571135602 952606073 /nfs/dbraw/zinc/60/60/73/952606073.db2.gz YNXWDWQNNZDEBP-OAHLLOKOSA-N -1 1 378.440 1.618 20 0 GDADMM C[C@H]1CN(C(=O)c2cc[nH]c2)C[C@H]1Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001571141017 952630319 /nfs/dbraw/zinc/63/03/19/952630319.db2.gz FOCKCPNMWFCENY-IONNQARKSA-N -1 1 378.849 1.877 20 0 GDADMM O=C(N[C@@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C1C=CC=CC=C1 ZINC001571141020 952631009 /nfs/dbraw/zinc/63/10/09/952631009.db2.gz FRKKXMTZTRHLTC-DZGCQCFKSA-N -1 1 378.440 1.652 20 0 GDADMM O=C(N[C@@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C1C=CC=CC=C1 ZINC001571141020 952631013 /nfs/dbraw/zinc/63/10/13/952631013.db2.gz FRKKXMTZTRHLTC-DZGCQCFKSA-N -1 1 378.440 1.652 20 0 GDADMM Cc1noc(CCC(=O)Nc2ccc(Br)c(-c3nnn[n-]3)n2)n1 ZINC001571142679 952645416 /nfs/dbraw/zinc/64/54/16/952645416.db2.gz VEYCMIIWZGAYMX-UHFFFAOYSA-N -1 1 379.178 1.287 20 0 GDADMM Cc1noc(CCC(=O)Nc2ccc(Br)c(-c3nn[n-]n3)n2)n1 ZINC001571142679 952645419 /nfs/dbraw/zinc/64/54/19/952645419.db2.gz VEYCMIIWZGAYMX-UHFFFAOYSA-N -1 1 379.178 1.287 20 0 GDADMM O=C(N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)c1c[nH]cc1C1CC1 ZINC001571146045 952647160 /nfs/dbraw/zinc/64/71/60/952647160.db2.gz AWQHFOWIQHCPDZ-GFCCVEGCSA-N -1 1 379.428 1.261 20 0 GDADMM O=C(N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)c1c[nH]cc1C1CC1 ZINC001571146045 952647164 /nfs/dbraw/zinc/64/71/64/952647164.db2.gz AWQHFOWIQHCPDZ-GFCCVEGCSA-N -1 1 379.428 1.261 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CC[C@@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571147346 952661010 /nfs/dbraw/zinc/66/10/10/952661010.db2.gz KQFTYHNMZXLLJB-GOSISDBHSA-N -1 1 379.428 1.036 20 0 GDADMM CCc1cccc(C(=O)N2CC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001571147833 952664380 /nfs/dbraw/zinc/66/43/80/952664380.db2.gz QVGMDZIOSDBWCG-LBPRGKRZSA-N -1 1 379.428 1.188 20 0 GDADMM CCc1cccc(C(=O)N2CC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001571147833 952664384 /nfs/dbraw/zinc/66/43/84/952664384.db2.gz QVGMDZIOSDBWCG-LBPRGKRZSA-N -1 1 379.428 1.188 20 0 GDADMM O=C(C1CC1)N1CCC[C@@H]2[C@@H]1CCN2c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001571152050 952681332 /nfs/dbraw/zinc/68/13/32/952681332.db2.gz BSFLTAQEVXQDGV-ZJUUUORDSA-N -1 1 379.877 1.956 20 0 GDADMM CO[C@H](C(=O)N1CC[C@H](N(C)c2snc(C)c2-c2nn[n-]n2)C1)C(C)C ZINC001571152658 952683156 /nfs/dbraw/zinc/68/31/56/952683156.db2.gz JJAWURUJPRUNAS-AAEUAGOBSA-N -1 1 379.490 1.340 20 0 GDADMM O=C(Cc1ccoc1)N1CC[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571152958 952684730 /nfs/dbraw/zinc/68/47/30/952684730.db2.gz MEEXSKXZMNGYNR-SECBINFHSA-N -1 1 379.833 1.825 20 0 GDADMM O=C(Cc1ccoc1)N1CC[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571152958 952684731 /nfs/dbraw/zinc/68/47/31/952684731.db2.gz MEEXSKXZMNGYNR-SECBINFHSA-N -1 1 379.833 1.825 20 0 GDADMM CO[C@@H](C)C(=O)N1CCC[C@@H](CCNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571153660 952687108 /nfs/dbraw/zinc/68/71/08/952687108.db2.gz SULNTBGTTCFPAJ-RYUDHWBXSA-N -1 1 379.490 1.707 20 0 GDADMM CCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCN(C(=O)CC(C)(F)F)CC1 ZINC001571154874 952690284 /nfs/dbraw/zinc/69/02/84/952690284.db2.gz CXDNYXWVHXDISR-UHFFFAOYSA-N -1 1 380.403 1.885 20 0 GDADMM CCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCN(C(=O)CC(C)(F)F)CC1 ZINC001571154874 952690286 /nfs/dbraw/zinc/69/02/86/952690286.db2.gz CXDNYXWVHXDISR-UHFFFAOYSA-N -1 1 380.403 1.885 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1)C(C)(F)F ZINC001571155438 952696632 /nfs/dbraw/zinc/69/66/32/952696632.db2.gz RTDGCBZBDRRJFD-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001571155438 952696636 /nfs/dbraw/zinc/69/66/36/952696636.db2.gz RTDGCBZBDRRJFD-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1)c1ccco1 ZINC001571155756 952699612 /nfs/dbraw/zinc/69/96/12/952699612.db2.gz ZGOGPNGYDGJKHU-AVGNSLFASA-N -1 1 380.412 1.233 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1)c1ccco1 ZINC001571155756 952699616 /nfs/dbraw/zinc/69/96/16/952699616.db2.gz ZGOGPNGYDGJKHU-AVGNSLFASA-N -1 1 380.412 1.233 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CC[C@@H]2[C@H](CCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001571156624 952702711 /nfs/dbraw/zinc/70/27/11/952702711.db2.gz FLFNSLGARZQIMG-CHWSQXEVSA-N -1 1 379.428 1.034 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CC[C@@H]2[C@H](CCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001571156624 952702715 /nfs/dbraw/zinc/70/27/15/952702715.db2.gz FLFNSLGARZQIMG-CHWSQXEVSA-N -1 1 379.428 1.034 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@H](NC(=O)[C@@H](C)c3cccnc3)C2)n1 ZINC001571156698 952703595 /nfs/dbraw/zinc/70/35/95/952703595.db2.gz HEGHZJSCZNLZBQ-UBHSHLNASA-N -1 1 379.428 1.223 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@H](NC(=O)[C@@H](C)c3cccnc3)C2)n1 ZINC001571156698 952703600 /nfs/dbraw/zinc/70/36/00/952703600.db2.gz HEGHZJSCZNLZBQ-UBHSHLNASA-N -1 1 379.428 1.223 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCN(C(=O)c3ncccc3C)C2)n1 ZINC001571157239 952706756 /nfs/dbraw/zinc/70/67/56/952706756.db2.gz NSTGTZUPHVPVRE-CYBMUJFWSA-N -1 1 379.428 1.385 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCN(C(=O)c3ncccc3C)C2)n1 ZINC001571157239 952706758 /nfs/dbraw/zinc/70/67/58/952706758.db2.gz NSTGTZUPHVPVRE-CYBMUJFWSA-N -1 1 379.428 1.385 20 0 GDADMM Cc1ccncc1C(=O)N1CC[C@@H]([C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571157139 952706844 /nfs/dbraw/zinc/70/68/44/952706844.db2.gz MXJVFNYCWOZPLM-CHWSQXEVSA-N -1 1 379.428 1.323 20 0 GDADMM Cc1ccncc1C(=O)N1CC[C@@H]([C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571157139 952706846 /nfs/dbraw/zinc/70/68/46/952706846.db2.gz MXJVFNYCWOZPLM-CHWSQXEVSA-N -1 1 379.428 1.323 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@@H]2CN(C)c2nccnc2-c2nnn[n-]2)cn1 ZINC001571157994 952709056 /nfs/dbraw/zinc/70/90/56/952709056.db2.gz POGMUDUNHHJJNH-CQSZACIVSA-N -1 1 379.428 1.101 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@@H]2CN(C)c2nccnc2-c2nn[n-]n2)cn1 ZINC001571157994 952709059 /nfs/dbraw/zinc/70/90/59/952709059.db2.gz POGMUDUNHHJJNH-CQSZACIVSA-N -1 1 379.428 1.101 20 0 GDADMM Cc1cccnc1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571157971 952709297 /nfs/dbraw/zinc/70/92/97/952709297.db2.gz PBTYVWUVUGYFCI-CYBMUJFWSA-N -1 1 379.428 1.149 20 0 GDADMM COc1cccc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H]2C)c1 ZINC001571158298 952711076 /nfs/dbraw/zinc/71/10/76/952711076.db2.gz GLHPVAVJPZFYPA-SMDDNHRTSA-N -1 1 380.412 1.380 20 0 GDADMM COc1cccc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H]2C)c1 ZINC001571158298 952711079 /nfs/dbraw/zinc/71/10/79/952711079.db2.gz GLHPVAVJPZFYPA-SMDDNHRTSA-N -1 1 380.412 1.380 20 0 GDADMM COc1cc(C)ccc1C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571158520 952712057 /nfs/dbraw/zinc/71/20/57/952712057.db2.gz KHZMDIVBBSREGG-TXEJJXNPSA-N -1 1 380.412 1.347 20 0 GDADMM COc1cc(C)ccc1C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571158520 952712064 /nfs/dbraw/zinc/71/20/64/952712064.db2.gz KHZMDIVBBSREGG-TXEJJXNPSA-N -1 1 380.412 1.347 20 0 GDADMM Cc1cncc(C(=O)N[C@H]2CC[C@@H](C)N(c3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571158862 952714380 /nfs/dbraw/zinc/71/43/80/952714380.db2.gz SQBOGPJIJAIBBD-OCCSQVGLSA-N -1 1 379.428 1.147 20 0 GDADMM Cc1cncc(C(=O)N[C@H]2CC[C@@H](C)N(c3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571158862 952714382 /nfs/dbraw/zinc/71/43/82/952714382.db2.gz SQBOGPJIJAIBBD-OCCSQVGLSA-N -1 1 379.428 1.147 20 0 GDADMM Cc1ccncc1C(=O)N1CCC(CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571158898 952714946 /nfs/dbraw/zinc/71/49/46/952714946.db2.gz TZVCYJWQNWICBY-UHFFFAOYSA-N -1 1 379.428 1.324 20 0 GDADMM Cc1ccncc1C(=O)N1CCC(CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571158898 952714949 /nfs/dbraw/zinc/71/49/49/952714949.db2.gz TZVCYJWQNWICBY-UHFFFAOYSA-N -1 1 379.428 1.324 20 0 GDADMM O=C(NC1CC(CNc2nccnc2-c2nnn[n-]2)C1)c1ccoc1C1CC1 ZINC001571161437 952732951 /nfs/dbraw/zinc/73/29/51/952732951.db2.gz VOJNTFXGCJYUJP-UHFFFAOYSA-N -1 1 380.412 1.748 20 0 GDADMM O=C(NC1CC(CNc2nccnc2-c2nn[n-]n2)C1)c1ccoc1C1CC1 ZINC001571161437 952732956 /nfs/dbraw/zinc/73/29/56/952732956.db2.gz VOJNTFXGCJYUJP-UHFFFAOYSA-N -1 1 380.412 1.748 20 0 GDADMM O=C(N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccoc1C1CC1 ZINC001571161655 952734225 /nfs/dbraw/zinc/73/42/25/952734225.db2.gz ZWZZABYKPWFJNL-GFCCVEGCSA-N -1 1 380.412 1.526 20 0 GDADMM O=C(N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccoc1C1CC1 ZINC001571161655 952734231 /nfs/dbraw/zinc/73/42/31/952734231.db2.gz ZWZZABYKPWFJNL-GFCCVEGCSA-N -1 1 380.412 1.526 20 0 GDADMM COc1ncc(NC(=O)c2ccc(C(=O)NC(C)C)cc2)cc1-c1nn[n-]n1 ZINC001571170015 952781823 /nfs/dbraw/zinc/78/18/23/952781823.db2.gz CKLBCGKHEMHUBC-UHFFFAOYSA-N -1 1 381.396 1.661 20 0 GDADMM C[C@H]1CN(C(=O)c2conc2C2CC2)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571169993 952782132 /nfs/dbraw/zinc/78/21/32/952782132.db2.gz BXCIREXRHPQIAN-CABZTGNLSA-N -1 1 381.400 1.095 20 0 GDADMM C[C@H]1CN(C(=O)c2conc2C2CC2)C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571169993 952782134 /nfs/dbraw/zinc/78/21/34/952782134.db2.gz BXCIREXRHPQIAN-CABZTGNLSA-N -1 1 381.400 1.095 20 0 GDADMM Cn1c(=O)[nH]c(Sc2ccccc2Br)c(-c2nn[n-]n2)c1=O ZINC001571171560 952793497 /nfs/dbraw/zinc/79/34/97/952793497.db2.gz CANQHAGHNMLXDK-UHFFFAOYSA-N -1 1 381.215 1.167 20 0 GDADMM O=C(N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001571172104 952801933 /nfs/dbraw/zinc/80/19/33/952801933.db2.gz MHOLVPHDZPGFBE-AHMWJEGASA-N -1 1 380.456 1.034 20 0 GDADMM O=C(N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001571172104 952801938 /nfs/dbraw/zinc/80/19/38/952801938.db2.gz MHOLVPHDZPGFBE-AHMWJEGASA-N -1 1 380.456 1.034 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@H](NC(=O)c3cc(C4CC4)on3)C2)n1 ZINC001571174793 952813897 /nfs/dbraw/zinc/81/38/97/952813897.db2.gz IGYBMCFCXGFUED-XYPYZODXSA-N -1 1 381.400 1.203 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@H](NC(=O)c3cc(C4CC4)on3)C2)n1 ZINC001571174793 952813902 /nfs/dbraw/zinc/81/39/02/952813902.db2.gz IGYBMCFCXGFUED-XYPYZODXSA-N -1 1 381.400 1.203 20 0 GDADMM O=C(c1cc(C2CC2)on1)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571178809 952848231 /nfs/dbraw/zinc/84/82/31/952848231.db2.gz VBJCSSWFZAJTBG-NSHDSACASA-N -1 1 381.400 1.239 20 0 GDADMM O=C(c1cc(C2CC2)on1)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571178809 952848236 /nfs/dbraw/zinc/84/82/36/952848236.db2.gz VBJCSSWFZAJTBG-NSHDSACASA-N -1 1 381.400 1.239 20 0 GDADMM CC(C)c1[nH]ccc1C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC001571179935 952857690 /nfs/dbraw/zinc/85/76/90/952857690.db2.gz KQDOWRKERBSPKP-YPMHNXCESA-N -1 1 381.444 1.505 20 0 GDADMM CC(C)c1[nH]ccc1C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C ZINC001571179935 952857695 /nfs/dbraw/zinc/85/76/95/952857695.db2.gz KQDOWRKERBSPKP-YPMHNXCESA-N -1 1 381.444 1.505 20 0 GDADMM CCn1ccc(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1C ZINC001571184806 952896587 /nfs/dbraw/zinc/89/65/87/952896587.db2.gz DEHCBMBWKZGXCD-ZDUSSCGKSA-N -1 1 381.444 1.185 20 0 GDADMM Cc1c(C(=O)N2C[C@@H](CNc3nccnc3-c3nnn[n-]3)[C@H](C)C2)ccn1C ZINC001571184858 952898688 /nfs/dbraw/zinc/89/86/88/952898688.db2.gz FQXFLHQDHSBZKH-DGCLKSJQSA-N -1 1 381.444 1.124 20 0 GDADMM Cc1c(C(=O)N2C[C@@H](CNc3nccnc3-c3nn[n-]n3)[C@H](C)C2)ccn1C ZINC001571184858 952898692 /nfs/dbraw/zinc/89/86/92/952898692.db2.gz FQXFLHQDHSBZKH-DGCLKSJQSA-N -1 1 381.444 1.124 20 0 GDADMM Cc1cc(C(=O)N2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C[C@H]2C)c(C)n1C ZINC001571184999 952898757 /nfs/dbraw/zinc/89/87/57/952898757.db2.gz GMOPIVKFEXUHSD-YPMHNXCESA-N -1 1 381.444 1.327 20 0 GDADMM Cc1cc(C(=O)N2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C[C@H]2C)c(C)n1C ZINC001571184999 952898761 /nfs/dbraw/zinc/89/87/61/952898761.db2.gz GMOPIVKFEXUHSD-YPMHNXCESA-N -1 1 381.444 1.327 20 0 GDADMM Cc1[nH]ccc1C(=O)N[C@H]1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571185191 952900916 /nfs/dbraw/zinc/90/09/16/952900916.db2.gz JJHLUFAPQNEDHQ-OCCSQVGLSA-N -1 1 381.444 1.694 20 0 GDADMM Cc1[nH]ccc1C(=O)N[C@H]1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571185191 952900919 /nfs/dbraw/zinc/90/09/19/952900919.db2.gz JJHLUFAPQNEDHQ-OCCSQVGLSA-N -1 1 381.444 1.694 20 0 GDADMM Cc1c(C(=O)NC[C@@H]2C[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)ccn1C ZINC001571185688 952903247 /nfs/dbraw/zinc/90/32/47/952903247.db2.gz OIWZOJQOVSVFIC-BETUJISGSA-N -1 1 381.444 1.233 20 0 GDADMM Cc1c(C(=O)NC[C@@H]2C[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)ccn1C ZINC001571185688 952903249 /nfs/dbraw/zinc/90/32/49/952903249.db2.gz OIWZOJQOVSVFIC-BETUJISGSA-N -1 1 381.444 1.233 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CC[C@H](C)[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571186570 952906856 /nfs/dbraw/zinc/90/68/56/952906856.db2.gz XIWAXXSCPAAUOY-WCQYABFASA-N -1 1 381.444 1.504 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CC[C@H](C)[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571186570 952906862 /nfs/dbraw/zinc/90/68/62/952906862.db2.gz XIWAXXSCPAAUOY-WCQYABFASA-N -1 1 381.444 1.504 20 0 GDADMM Cc1cc(C)c(C(=O)N2CC[C@@](C)(CNc3cnc(-c4nnn[n-]4)cn3)C2)[nH]1 ZINC001571189100 952924246 /nfs/dbraw/zinc/92/42/46/952924246.db2.gz SBDYJLZJZBENMU-SFHVURJKSA-N -1 1 381.444 1.566 20 0 GDADMM Cc1cc(C)c(C(=O)N2CC[C@@](C)(CNc3cnc(-c4nn[n-]n4)cn3)C2)[nH]1 ZINC001571189100 952924250 /nfs/dbraw/zinc/92/42/50/952924250.db2.gz SBDYJLZJZBENMU-SFHVURJKSA-N -1 1 381.444 1.566 20 0 GDADMM Cn1ccc(C(=O)N2CCC[C@@H](CCNc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571189197 952926380 /nfs/dbraw/zinc/92/63/80/952926380.db2.gz OLWJZHWPUSSXPC-ZDUSSCGKSA-N -1 1 381.444 1.350 20 0 GDADMM Cn1ccc(C(=O)N2CCC[C@@H](CCNc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571189197 952926391 /nfs/dbraw/zinc/92/63/91/952926391.db2.gz OLWJZHWPUSSXPC-ZDUSSCGKSA-N -1 1 381.444 1.350 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)N(c3cncc(-c4nnn[n-]4)n3)C2)n1C ZINC001571189518 952930360 /nfs/dbraw/zinc/93/03/60/952930360.db2.gz WPLLBTXFYSXOMD-OLZOCXBDSA-N -1 1 381.444 1.091 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)N(c3cncc(-c4nn[n-]n4)n3)C2)n1C ZINC001571189518 952930363 /nfs/dbraw/zinc/93/03/63/952930363.db2.gz WPLLBTXFYSXOMD-OLZOCXBDSA-N -1 1 381.444 1.091 20 0 GDADMM O=C(CC(F)(F)F)N1CC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001571194410 952962068 /nfs/dbraw/zinc/96/20/68/952962068.db2.gz LTFAWGCCOGAMDC-CQSZACIVSA-N -1 1 382.350 1.038 20 0 GDADMM O=C(CC(F)(F)F)N1CC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001571194410 952962070 /nfs/dbraw/zinc/96/20/70/952962070.db2.gz LTFAWGCCOGAMDC-CQSZACIVSA-N -1 1 382.350 1.038 20 0 GDADMM Cc1cc(C(=O)N2CCCN(c3ccnc(-c4nn[n-]n4)n3)CC2)ccc1F ZINC001571195547 952976703 /nfs/dbraw/zinc/97/67/03/952976703.db2.gz BONZHIUBFZIYLQ-UHFFFAOYSA-N -1 1 382.403 1.457 20 0 GDADMM Cc1cc(F)ccc1C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571196335 952980425 /nfs/dbraw/zinc/98/04/25/952980425.db2.gz JCHZYWLPGQUVPG-CYBMUJFWSA-N -1 1 382.403 1.503 20 0 GDADMM Cc1cc(F)ccc1C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571196335 952980429 /nfs/dbraw/zinc/98/04/29/952980429.db2.gz JCHZYWLPGQUVPG-CYBMUJFWSA-N -1 1 382.403 1.503 20 0 GDADMM Cc1ccc(F)c(C(=O)NC[C@@H]2CCCN2c2nccnc2-c2nnn[n-]2)c1 ZINC001571196468 952981695 /nfs/dbraw/zinc/98/16/95/952981695.db2.gz KXODPHRSLSOWGP-LBPRGKRZSA-N -1 1 382.403 1.503 20 0 GDADMM Cc1ccc(F)c(C(=O)NC[C@@H]2CCCN2c2nccnc2-c2nn[n-]n2)c1 ZINC001571196468 952981699 /nfs/dbraw/zinc/98/16/99/952981699.db2.gz KXODPHRSLSOWGP-LBPRGKRZSA-N -1 1 382.403 1.503 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](NC(=O)c3cccc(F)c3C)C2)n1 ZINC001571196381 952981769 /nfs/dbraw/zinc/98/17/69/952981769.db2.gz JYMPDZFCJOAZMM-GFCCVEGCSA-N -1 1 382.403 1.421 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)c3cccc(F)c3C)C2)n1 ZINC001571196381 952981777 /nfs/dbraw/zinc/98/17/77/952981777.db2.gz JYMPDZFCJOAZMM-GFCCVEGCSA-N -1 1 382.403 1.421 20 0 GDADMM Cc1cccc(F)c1C(=O)NC1CC(CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571196844 952984646 /nfs/dbraw/zinc/98/46/46/952984646.db2.gz PAGLHFRJMQDLJJ-UHFFFAOYSA-N -1 1 382.403 1.725 20 0 GDADMM Cc1cccc(F)c1C(=O)NC1CC(CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571196844 952984651 /nfs/dbraw/zinc/98/46/51/952984651.db2.gz PAGLHFRJMQDLJJ-UHFFFAOYSA-N -1 1 382.403 1.725 20 0 GDADMM CCc1occc1C(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571198538 952991246 /nfs/dbraw/zinc/99/12/46/952991246.db2.gz BLHYIFPATQKKHJ-LBPRGKRZSA-N -1 1 382.428 1.341 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@H]2CNC(=O)c2ccoc2C)n1 ZINC001571198740 952992958 /nfs/dbraw/zinc/99/29/58/952992958.db2.gz FIDXDPRRVRZDLI-LBPRGKRZSA-N -1 1 382.428 1.519 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@H]2CNC(=O)c2ccoc2C)n1 ZINC001571198740 952992962 /nfs/dbraw/zinc/99/29/62/952992962.db2.gz FIDXDPRRVRZDLI-LBPRGKRZSA-N -1 1 382.428 1.519 20 0 GDADMM CCc1occc1C(=O)N1C[C@@H](CNc2nccnc2-c2nnn[n-]2)[C@H](C)C1 ZINC001571199238 952997911 /nfs/dbraw/zinc/99/79/11/952997911.db2.gz OBWCBZDLEHYUKZ-VXGBXAGGSA-N -1 1 382.428 1.632 20 0 GDADMM CCc1occc1C(=O)N1C[C@@H](CNc2nccnc2-c2nn[n-]n2)[C@H](C)C1 ZINC001571199238 952997917 /nfs/dbraw/zinc/99/79/17/952997917.db2.gz OBWCBZDLEHYUKZ-VXGBXAGGSA-N -1 1 382.428 1.632 20 0 GDADMM C[C@@H](C(=O)N1CC[C@](C)(CNc2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001571200319 953008989 /nfs/dbraw/zinc/00/89/89/953008989.db2.gz HSHIVUXPJVBUMN-KZULUSFZSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@@H](C(=O)N1CC[C@](C)(CNc2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001571200319 953008993 /nfs/dbraw/zinc/00/89/93/953008993.db2.gz HSHIVUXPJVBUMN-KZULUSFZSA-N -1 1 382.428 1.704 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@@H](CCNc3cncc(-c4nnn[n-]4)n3)C2)co1 ZINC001571200481 953009793 /nfs/dbraw/zinc/00/97/93/953009793.db2.gz CJUQVABJQBPQBM-ZDUSSCGKSA-N -1 1 382.428 1.913 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@@H](CCNc3cncc(-c4nn[n-]n4)n3)C2)co1 ZINC001571200481 953009795 /nfs/dbraw/zinc/00/97/95/953009795.db2.gz CJUQVABJQBPQBM-ZDUSSCGKSA-N -1 1 382.428 1.913 20 0 GDADMM Cc1ccc([C@@H](C)C(=O)N2CCC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)o1 ZINC001571200533 953009818 /nfs/dbraw/zinc/00/98/18/953009818.db2.gz DBKWDZSAHRUGQB-CHWSQXEVSA-N -1 1 382.428 1.765 20 0 GDADMM Cc1ccc([C@@H](C)C(=O)N2CCC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)o1 ZINC001571200533 953009822 /nfs/dbraw/zinc/00/98/22/953009822.db2.gz DBKWDZSAHRUGQB-CHWSQXEVSA-N -1 1 382.428 1.765 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CCC[C@H]2CNc2cnc(-c3nnn[n-]3)cn2)c(C)o1 ZINC001571200483 953009841 /nfs/dbraw/zinc/00/98/41/953009841.db2.gz CLBRSKUFLRYDNG-GXTWGEPZSA-N -1 1 382.428 1.877 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CCC[C@H]2CNc2cnc(-c3nn[n-]n3)cn2)c(C)o1 ZINC001571200483 953009845 /nfs/dbraw/zinc/00/98/45/953009845.db2.gz CLBRSKUFLRYDNG-GXTWGEPZSA-N -1 1 382.428 1.877 20 0 GDADMM Cc1coc(C)c1C(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571200892 953013128 /nfs/dbraw/zinc/01/31/28/953013128.db2.gz HOTZRFWAVSCRFC-QWHCGFSZSA-N -1 1 382.428 1.877 20 0 GDADMM Cc1coc(C)c1C(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571200892 953013130 /nfs/dbraw/zinc/01/31/30/953013130.db2.gz HOTZRFWAVSCRFC-QWHCGFSZSA-N -1 1 382.428 1.877 20 0 GDADMM Cc1coc(C)c1C(=O)N1CC[C@@](C)(CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571201001 953013298 /nfs/dbraw/zinc/01/32/98/953013298.db2.gz HTVFRCABYHBAFW-SFHVURJKSA-N -1 1 382.428 1.831 20 0 GDADMM Cc1coc(C)c1C(=O)N1CC[C@@](C)(CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571201001 953013304 /nfs/dbraw/zinc/01/33/04/953013304.db2.gz HTVFRCABYHBAFW-SFHVURJKSA-N -1 1 382.428 1.831 20 0 GDADMM Cc1cc(C(=O)NC[C@H]2CCCCN2c2ccc(-c3nnn[n-]3)nn2)oc1C ZINC001571201079 953013630 /nfs/dbraw/zinc/01/36/30/953013630.db2.gz JHTAMSRBCXQANG-CYBMUJFWSA-N -1 1 382.428 1.655 20 0 GDADMM Cc1cc(C(=O)NC[C@H]2CCCCN2c2ccc(-c3nn[n-]n3)nn2)oc1C ZINC001571201079 953013632 /nfs/dbraw/zinc/01/36/32/953013632.db2.gz JHTAMSRBCXQANG-CYBMUJFWSA-N -1 1 382.428 1.655 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H](CCNc3cnc(-c4nnn[n-]4)cn3)C2)c(C)o1 ZINC001571201349 953017901 /nfs/dbraw/zinc/01/79/01/953017901.db2.gz KKMBELQYINKMRN-ZDUSSCGKSA-N -1 1 382.428 1.831 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H](CCNc3cnc(-c4nn[n-]n4)cn3)C2)c(C)o1 ZINC001571201349 953017904 /nfs/dbraw/zinc/01/79/04/953017904.db2.gz KKMBELQYINKMRN-ZDUSSCGKSA-N -1 1 382.428 1.831 20 0 GDADMM Cc1ccc([C@@H](C)C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)[C@@H]2C)o1 ZINC001571201356 953017936 /nfs/dbraw/zinc/01/79/36/953017936.db2.gz KSMUTTMUHMJFPP-UPJWGTAASA-N -1 1 382.428 1.445 20 0 GDADMM Cc1ccc([C@@H](C)C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)[C@@H]2C)o1 ZINC001571201356 953017941 /nfs/dbraw/zinc/01/79/41/953017941.db2.gz KSMUTTMUHMJFPP-UPJWGTAASA-N -1 1 382.428 1.445 20 0 GDADMM CC1(C)CN(c2ccnc(-c3nn[n-]n3)n2)CC[C@@H]1NC(=O)Cc1ccoc1 ZINC001571201560 953018964 /nfs/dbraw/zinc/01/89/64/953018964.db2.gz ROOQUZDYPMASSB-ZDUSSCGKSA-N -1 1 382.428 1.214 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)[C@@H](C)C2)c(C)o1 ZINC001571201777 953019582 /nfs/dbraw/zinc/01/95/82/953019582.db2.gz OCPQVTRPNFGOFD-GXFFZTMASA-N -1 1 382.428 1.654 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)[C@@H](C)C2)c(C)o1 ZINC001571201777 953019586 /nfs/dbraw/zinc/01/95/86/953019586.db2.gz OCPQVTRPNFGOFD-GXFFZTMASA-N -1 1 382.428 1.654 20 0 GDADMM Cc1ccoc1CC(=O)N[C@@H]1CC[C@@H](C)N(c2nccnc2-c2nnn[n-]2)C1 ZINC001571201857 953020837 /nfs/dbraw/zinc/02/08/37/953020837.db2.gz ORFOXWYQQRJDDI-CHWSQXEVSA-N -1 1 382.428 1.274 20 0 GDADMM Cc1ccoc1CC(=O)N[C@@H]1CC[C@@H](C)N(c2nccnc2-c2nn[n-]n2)C1 ZINC001571201857 953020841 /nfs/dbraw/zinc/02/08/41/953020841.db2.gz ORFOXWYQQRJDDI-CHWSQXEVSA-N -1 1 382.428 1.274 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)[C@@H]2C)c(C)o1 ZINC001571202185 953023187 /nfs/dbraw/zinc/02/31/87/953023187.db2.gz RODXUOOTIJMKJT-BXUZGUMPSA-N -1 1 382.428 1.654 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)[C@@H]2C)c(C)o1 ZINC001571202185 953023189 /nfs/dbraw/zinc/02/31/89/953023189.db2.gz RODXUOOTIJMKJT-BXUZGUMPSA-N -1 1 382.428 1.654 20 0 GDADMM Cc1cocc1C(=O)N1CCC[C@@H](C)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571202728 953027520 /nfs/dbraw/zinc/02/75/20/953027520.db2.gz XMHPFSUGHGHSSR-IAQYHMDHSA-N -1 1 382.428 1.911 20 0 GDADMM Cc1cocc1C(=O)N1CCC[C@@H](C)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571202728 953027522 /nfs/dbraw/zinc/02/75/22/953027522.db2.gz XMHPFSUGHGHSSR-IAQYHMDHSA-N -1 1 382.428 1.911 20 0 GDADMM Cc1coc(C)c1C(=O)N[C@@H]1CC[C@@H](C)N(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571202793 953028538 /nfs/dbraw/zinc/02/85/38/953028538.db2.gz YUTHCRFPLZSRMC-DGCLKSJQSA-N -1 1 382.428 1.654 20 0 GDADMM Cc1coc(C)c1C(=O)N[C@@H]1CC[C@@H](C)N(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571202793 953028542 /nfs/dbraw/zinc/02/85/42/953028542.db2.gz YUTHCRFPLZSRMC-DGCLKSJQSA-N -1 1 382.428 1.654 20 0 GDADMM Cc1coc(C)c1C(=O)N[C@H]1CC[C@H](C)N(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571202792 953028625 /nfs/dbraw/zinc/02/86/25/953028625.db2.gz YUTHCRFPLZSRMC-AAEUAGOBSA-N -1 1 382.428 1.654 20 0 GDADMM Cc1coc(C)c1C(=O)N[C@H]1CC[C@H](C)N(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571202792 953028630 /nfs/dbraw/zinc/02/86/30/953028630.db2.gz YUTHCRFPLZSRMC-AAEUAGOBSA-N -1 1 382.428 1.654 20 0 GDADMM O=C(Cc1ccco1)N[C@H]1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571206438 953051185 /nfs/dbraw/zinc/05/11/85/953051185.db2.gz POEOUWBUKBPZBV-OCCSQVGLSA-N -1 1 382.428 1.579 20 0 GDADMM O=C(Cc1ccco1)N[C@H]1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571206438 953051188 /nfs/dbraw/zinc/05/11/88/953051188.db2.gz POEOUWBUKBPZBV-OCCSQVGLSA-N -1 1 382.428 1.579 20 0 GDADMM CCc1n[nH]cc1C(=O)NC1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571206839 953055915 /nfs/dbraw/zinc/05/59/15/953055915.db2.gz XSSLIKDHLVUYMH-UHFFFAOYSA-N -1 1 382.432 1.095 20 0 GDADMM CCc1n[nH]cc1C(=O)NC1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571206839 953055918 /nfs/dbraw/zinc/05/59/18/953055918.db2.gz XSSLIKDHLVUYMH-UHFFFAOYSA-N -1 1 382.432 1.095 20 0 GDADMM Cc1oc(C)c(C(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)c1C ZINC001571207070 953059435 /nfs/dbraw/zinc/05/94/35/953059435.db2.gz VRLAOVDREXMEFF-CYBMUJFWSA-N -1 1 382.428 1.314 20 0 GDADMM Cc1oc(C)c(C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1C ZINC001571207154 953060292 /nfs/dbraw/zinc/06/02/92/953060292.db2.gz WIKFGIXVDKKDHA-YMTOWFKASA-N -1 1 382.428 1.748 20 0 GDADMM Cc1oc(C)c(C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1C ZINC001571207154 953060296 /nfs/dbraw/zinc/06/02/96/953060296.db2.gz WIKFGIXVDKKDHA-YMTOWFKASA-N -1 1 382.428 1.748 20 0 GDADMM Cc1sccc1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571210814 953075878 /nfs/dbraw/zinc/07/58/78/953075878.db2.gz XMKYGFOMIJZLCC-TXEJJXNPSA-N -1 1 382.453 1.520 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC(NC(=O)[C@@H]3C[C@H]3C3CC3)CC2)n1 ZINC001571212018 953082341 /nfs/dbraw/zinc/08/23/41/953082341.db2.gz HIZRPHSJEURUDY-UONOGXRCSA-N -1 1 382.472 1.350 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC(NC(=O)[C@@H]3C[C@H]3C3CC3)CC2)n1 ZINC001571212018 953082344 /nfs/dbraw/zinc/08/23/44/953082344.db2.gz HIZRPHSJEURUDY-UONOGXRCSA-N -1 1 382.472 1.350 20 0 GDADMM CC(C)(C)C12CC(C(=O)N[C@H]3CCN(c4ccc(-c5nnn[n-]5)nn4)C3)(C1)C2 ZINC001571212024 953083171 /nfs/dbraw/zinc/08/31/71/953083171.db2.gz HJPOEJQXFZREBE-RMEHTXHKSA-N -1 1 382.472 1.568 20 0 GDADMM CC(C)(C)C12CC(C(=O)N[C@H]3CCN(c4ccc(-c5nn[n-]n5)nn4)C3)(C1)C2 ZINC001571212024 953083176 /nfs/dbraw/zinc/08/31/76/953083176.db2.gz HJPOEJQXFZREBE-RMEHTXHKSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C3CC3)CC2)C[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001571212103 953083834 /nfs/dbraw/zinc/08/38/34/953083834.db2.gz IXZIGGNTXPBQJO-CHWSQXEVSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C3CC3)CC2)C[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001571212103 953083837 /nfs/dbraw/zinc/08/38/37/953083837.db2.gz IXZIGGNTXPBQJO-CHWSQXEVSA-N -1 1 382.472 1.743 20 0 GDADMM CCc1nc(N[C@@H]2C[C@H](NC(=O)C3CCC3)C23CCC3)cc(-c2nnn[n-]2)n1 ZINC001571212252 953086273 /nfs/dbraw/zinc/08/62/73/953086273.db2.gz KCVILYQBTWQNCH-KGLIPLIRSA-N -1 1 382.472 1.859 20 0 GDADMM CCc1nc(N[C@@H]2C[C@H](NC(=O)C3CCC3)C23CCC3)cc(-c2nn[n-]n2)n1 ZINC001571212252 953086276 /nfs/dbraw/zinc/08/62/76/953086276.db2.gz KCVILYQBTWQNCH-KGLIPLIRSA-N -1 1 382.472 1.859 20 0 GDADMM CCC[C@@H]1C[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571212505 953089788 /nfs/dbraw/zinc/08/97/88/953089788.db2.gz MRDXAKIKTZVMNO-APIJFGDWSA-N -1 1 382.472 1.663 20 0 GDADMM CCC[C@@H]1C[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571212505 953089791 /nfs/dbraw/zinc/08/97/91/953089791.db2.gz MRDXAKIKTZVMNO-APIJFGDWSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](NC(=O)[C@H]1C[C@H]2C[C@H]2C1)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571212871 953091588 /nfs/dbraw/zinc/09/15/88/953091588.db2.gz NSEOWERJQAWLTQ-BTFPBAQTSA-N -1 1 382.472 1.424 20 0 GDADMM C[C@H](NC(=O)[C@H]1C[C@H]2C[C@H]2C1)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571212871 953091591 /nfs/dbraw/zinc/09/15/91/953091591.db2.gz NSEOWERJQAWLTQ-BTFPBAQTSA-N -1 1 382.472 1.424 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H]3[C@H]2CCCN3C(=O)CCC2CC2)n1 ZINC001571213261 953094045 /nfs/dbraw/zinc/09/40/45/953094045.db2.gz QMZJCIOKOYYDHC-CVEARBPZSA-N -1 1 382.472 1.725 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H]3[C@H]2CCCN3C(=O)CCC2CC2)n1 ZINC001571213261 953094050 /nfs/dbraw/zinc/09/40/50/953094050.db2.gz QMZJCIOKOYYDHC-CVEARBPZSA-N -1 1 382.472 1.725 20 0 GDADMM CC1CC(C(=O)N2C[C@@]3(C)CN(c4cncc(-c5nnn[n-]5)n4)C[C@@]3(C)C2)C1 ZINC001571213688 953096620 /nfs/dbraw/zinc/09/66/20/953096620.db2.gz UIZIOFUTGQTYEY-HHOBWZPDSA-N -1 1 382.472 1.378 20 0 GDADMM CC1CC(C(=O)N2C[C@@]3(C)CN(c4cncc(-c5nn[n-]n5)n4)C[C@@]3(C)C2)C1 ZINC001571213688 953096622 /nfs/dbraw/zinc/09/66/22/953096622.db2.gz UIZIOFUTGQTYEY-HHOBWZPDSA-N -1 1 382.472 1.378 20 0 GDADMM CC1(C)CC[C@@H](C(=O)N2C[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]3C2)C1 ZINC001571213695 953097655 /nfs/dbraw/zinc/09/76/55/953097655.db2.gz UUACQTAGMGSUOM-MCIONIFRSA-N -1 1 382.472 1.378 20 0 GDADMM CC1(C)CC[C@@H](C(=O)N2C[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]3C2)C1 ZINC001571213695 953097657 /nfs/dbraw/zinc/09/76/57/953097657.db2.gz UUACQTAGMGSUOM-MCIONIFRSA-N -1 1 382.472 1.378 20 0 GDADMM CC1(C)CCC[C@@H]1C(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001571214040 953098291 /nfs/dbraw/zinc/09/82/91/953098291.db2.gz VPEJJBIWPGZTKC-HZSPNIEDSA-N -1 1 382.472 1.378 20 0 GDADMM CC1(C)CCC[C@@H]1C(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001571214040 953098294 /nfs/dbraw/zinc/09/82/94/953098294.db2.gz VPEJJBIWPGZTKC-HZSPNIEDSA-N -1 1 382.472 1.378 20 0 GDADMM CC1(C)CC[C@@H]1C(=O)N1CC[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001571214067 953099844 /nfs/dbraw/zinc/09/98/44/953099844.db2.gz WAXTZWQJKRJUIK-YJYMSZOUSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)CC[C@@H]1C(=O)N1CC[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001571214067 953099849 /nfs/dbraw/zinc/09/98/49/953099849.db2.gz WAXTZWQJKRJUIK-YJYMSZOUSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@]2(C)C1)C1CCC1 ZINC001571214320 953101750 /nfs/dbraw/zinc/10/17/50/953101750.db2.gz XCXWNFJJWOZHBX-CFZJUORYSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@]2(C)C1)C1CCC1 ZINC001571214320 953101752 /nfs/dbraw/zinc/10/17/52/953101752.db2.gz XCXWNFJJWOZHBX-CFZJUORYSA-N -1 1 382.472 1.378 20 0 GDADMM CC[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001571214410 953101902 /nfs/dbraw/zinc/10/19/02/953101902.db2.gz YIOMUDUDGPIGDF-UXXRCYHCSA-N -1 1 382.472 1.566 20 0 GDADMM CC[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001571214410 953101905 /nfs/dbraw/zinc/10/19/05/953101905.db2.gz YIOMUDUDGPIGDF-UXXRCYHCSA-N -1 1 382.472 1.566 20 0 GDADMM O=C(N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)[C@H]1CCCC12CC2 ZINC001571217267 953106501 /nfs/dbraw/zinc/10/65/01/953106501.db2.gz DFZRAZQAEQMHMK-ZIAGYGMSSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)[C@H]1CCCC12CC2 ZINC001571217267 953106504 /nfs/dbraw/zinc/10/65/04/953106504.db2.gz DFZRAZQAEQMHMK-ZIAGYGMSSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(CC1CCCC1)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571217245 953106576 /nfs/dbraw/zinc/10/65/76/953106576.db2.gz CYSAUGFXDSILNS-GASCZTMLSA-N -1 1 382.472 1.807 20 0 GDADMM O=C(CC1CCCC1)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571217245 953106577 /nfs/dbraw/zinc/10/65/77/953106577.db2.gz CYSAUGFXDSILNS-GASCZTMLSA-N -1 1 382.472 1.807 20 0 GDADMM O=C(CC1CC1)N1CCC[C@@H]([C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571217239 953106602 /nfs/dbraw/zinc/10/66/02/953106602.db2.gz CWTLROYAQSTJCA-HUUCEWRRSA-N -1 1 382.472 1.522 20 0 GDADMM O=C(CC1CC1)N1CCC[C@@H]([C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571217239 953106603 /nfs/dbraw/zinc/10/66/03/953106603.db2.gz CWTLROYAQSTJCA-HUUCEWRRSA-N -1 1 382.472 1.522 20 0 GDADMM O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CCCC[C@@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001571218029 953112688 /nfs/dbraw/zinc/11/26/88/953112688.db2.gz KLWAJHAZOXAPGM-WVZRYYJFSA-N -1 1 382.472 1.886 20 0 GDADMM O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CCCC[C@@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001571218029 953112690 /nfs/dbraw/zinc/11/26/90/953112690.db2.gz KLWAJHAZOXAPGM-WVZRYYJFSA-N -1 1 382.472 1.886 20 0 GDADMM O=C(CCC1CCC1)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571218043 953113184 /nfs/dbraw/zinc/11/31/84/953113184.db2.gz KPRBIWZXYAZDTI-CABCVRRESA-N -1 1 382.472 1.807 20 0 GDADMM O=C(CCC1CCC1)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571218043 953113187 /nfs/dbraw/zinc/11/31/87/953113187.db2.gz KPRBIWZXYAZDTI-CABCVRRESA-N -1 1 382.472 1.807 20 0 GDADMM O=C(N[C@@H]1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ncccc1F ZINC001571218905 953120785 /nfs/dbraw/zinc/12/07/85/953120785.db2.gz GMEBRNJJDRQFDL-WDEREUQCSA-N -1 1 383.391 1.344 20 0 GDADMM O=C(N[C@@H]1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ncccc1F ZINC001571218905 953120788 /nfs/dbraw/zinc/12/07/88/953120788.db2.gz GMEBRNJJDRQFDL-WDEREUQCSA-N -1 1 383.391 1.344 20 0 GDADMM O=C(NC[C@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cncc(F)c1 ZINC001571220201 953129779 /nfs/dbraw/zinc/12/97/79/953129779.db2.gz YVOWIBAHMUAORG-GXFFZTMASA-N -1 1 383.391 1.201 20 0 GDADMM O=C(NC[C@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cncc(F)c1 ZINC001571220201 953129781 /nfs/dbraw/zinc/12/97/81/953129781.db2.gz YVOWIBAHMUAORG-GXFFZTMASA-N -1 1 383.391 1.201 20 0 GDADMM CC[C@@H]1CN(C(=O)c2cc(C)on2)CC[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571222189 953132721 /nfs/dbraw/zinc/13/27/21/953132721.db2.gz DTXFXUCQEXDFMZ-NEPJUHHUSA-N -1 1 383.416 1.306 20 0 GDADMM CC[C@@H]1CN(C(=O)c2cc(C)on2)CC[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571222189 953132724 /nfs/dbraw/zinc/13/27/24/953132724.db2.gz DTXFXUCQEXDFMZ-NEPJUHHUSA-N -1 1 383.416 1.306 20 0 GDADMM CC(C)c1oncc1C(=O)NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571222558 953135853 /nfs/dbraw/zinc/13/58/53/953135853.db2.gz IZROTOOOZJNSPN-UHFFFAOYSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1oncc1C(=O)NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571222558 953135855 /nfs/dbraw/zinc/13/58/55/953135855.db2.gz IZROTOOOZJNSPN-UHFFFAOYSA-N -1 1 383.416 1.167 20 0 GDADMM CCc1noc(C)c1C(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571222598 953136994 /nfs/dbraw/zinc/13/69/94/953136994.db2.gz HSXOOICVUAPTCN-UHFFFAOYSA-N -1 1 383.416 1.232 20 0 GDADMM CCc1noc(C)c1C(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571222598 953136999 /nfs/dbraw/zinc/13/69/99/953136999.db2.gz HSXOOICVUAPTCN-UHFFFAOYSA-N -1 1 383.416 1.232 20 0 GDADMM CCc1nc(C(=O)N2CC[C@@H](Nc3cc(-c4nnn[n-]4)nc(CC)n3)C2)co1 ZINC001571222822 953138541 /nfs/dbraw/zinc/13/85/41/953138541.db2.gz MUQZWHKXMQESQT-SNVBAGLBSA-N -1 1 383.416 1.096 20 0 GDADMM CCc1nc(C(=O)N2CC[C@@H](Nc3cc(-c4nn[n-]n4)nc(CC)n3)C2)co1 ZINC001571222822 953138543 /nfs/dbraw/zinc/13/85/43/953138543.db2.gz MUQZWHKXMQESQT-SNVBAGLBSA-N -1 1 383.416 1.096 20 0 GDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCCN1C(=O)Cc1cnoc1 ZINC001571224163 953149189 /nfs/dbraw/zinc/14/91/89/953149189.db2.gz ZUSFEIQQAFGRDS-BXUZGUMPSA-N -1 1 383.416 1.069 20 0 GDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCCN1C(=O)Cc1cnoc1 ZINC001571224163 953149192 /nfs/dbraw/zinc/14/91/92/953149192.db2.gz ZUSFEIQQAFGRDS-BXUZGUMPSA-N -1 1 383.416 1.069 20 0 GDADMM Cc1nc(C(=O)N2CCCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)c(C)o1 ZINC001571225234 953152818 /nfs/dbraw/zinc/15/28/18/953152818.db2.gz ITNUHUZBIZPPNF-GFCCVEGCSA-N -1 1 383.416 1.368 20 0 GDADMM Cc1nc(C(=O)N2CCCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)c(C)o1 ZINC001571225234 953152821 /nfs/dbraw/zinc/15/28/21/953152821.db2.gz ITNUHUZBIZPPNF-GFCCVEGCSA-N -1 1 383.416 1.368 20 0 GDADMM Cc1noc(C(C)C)c1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571226620 953156166 /nfs/dbraw/zinc/15/61/66/953156166.db2.gz SXQBFAPYWFPHTP-NSHDSACASA-N -1 1 383.416 1.085 20 0 GDADMM Cc1noc(C(C)C)c1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571226620 953156169 /nfs/dbraw/zinc/15/61/69/953156169.db2.gz SXQBFAPYWFPHTP-NSHDSACASA-N -1 1 383.416 1.085 20 0 GDADMM Cc1nc(C(=O)N2C[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)[C@H](C)C2)c(C)o1 ZINC001571226652 953156779 /nfs/dbraw/zinc/15/67/79/953156779.db2.gz UROYHMKDIPXRJB-BXKDBHETSA-N -1 1 383.416 1.082 20 0 GDADMM Cc1nc(C(=O)N2C[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)[C@H](C)C2)c(C)o1 ZINC001571226652 953156783 /nfs/dbraw/zinc/15/67/83/953156783.db2.gz UROYHMKDIPXRJB-BXKDBHETSA-N -1 1 383.416 1.082 20 0 GDADMM Cc1cnoc1C(=O)N1CC[C@@H](C)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571226910 953157703 /nfs/dbraw/zinc/15/77/03/953157703.db2.gz WRMRLYGDVOPZMK-PWSUYJOCSA-N -1 1 383.416 1.306 20 0 GDADMM Cc1cnoc1C(=O)N1CC[C@@H](C)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571226910 953157704 /nfs/dbraw/zinc/15/77/04/953157704.db2.gz WRMRLYGDVOPZMK-PWSUYJOCSA-N -1 1 383.416 1.306 20 0 GDADMM Cc1nocc1C(=O)N1CCC([C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571228988 953167882 /nfs/dbraw/zinc/16/78/82/953167882.db2.gz XRRUEABJSJEZQF-SNVBAGLBSA-N -1 1 383.416 1.306 20 0 GDADMM Cc1nocc1C(=O)N1CCC([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571228988 953167883 /nfs/dbraw/zinc/16/78/83/953167883.db2.gz XRRUEABJSJEZQF-SNVBAGLBSA-N -1 1 383.416 1.306 20 0 GDADMM C[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)s1)c1ccc2c(c1)CC(=O)N2 ZINC001571230572 953178304 /nfs/dbraw/zinc/17/83/04/953178304.db2.gz GLPURDGVMSJOKE-VIFPVBQESA-N -1 1 383.437 1.983 20 0 GDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1CCN(c2ccccc2)C(=O)C1 ZINC001571231226 953184039 /nfs/dbraw/zinc/18/40/39/953184039.db2.gz VSYVCVIKIPUIRM-UHFFFAOYSA-N -1 1 383.437 1.487 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1)c1csnn1 ZINC001571234635 953203558 /nfs/dbraw/zinc/20/35/58/953203558.db2.gz DSWPAMIBOFFSSB-URHBZAFASA-N -1 1 383.850 1.201 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1)c1csnn1 ZINC001571234635 953203560 /nfs/dbraw/zinc/20/35/60/953203560.db2.gz DSWPAMIBOFFSSB-URHBZAFASA-N -1 1 383.850 1.201 20 0 GDADMM O=C(C[C@H]1CCCO1)N1CC[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571234648 953204224 /nfs/dbraw/zinc/20/42/24/953204224.db2.gz FGKAZJSNKWVECA-DTWKUNHWSA-N -1 1 383.865 1.559 20 0 GDADMM COCC(=O)N1CC[C@H]2[C@H](CCN2c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571235038 953208147 /nfs/dbraw/zinc/20/81/47/953208147.db2.gz QUZWISPSHMNWNF-BDAKNGLRSA-N -1 1 383.865 1.050 20 0 GDADMM COCC(=O)N1CC[C@H]2[C@H](CCN2c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571235038 953208149 /nfs/dbraw/zinc/20/81/49/953208149.db2.gz QUZWISPSHMNWNF-BDAKNGLRSA-N -1 1 383.865 1.050 20 0 GDADMM CC1(C(=O)N2CCO[C@H](CNc3nc(Cl)c(-c4nnn[n-]4)s3)C2)CC1 ZINC001571235252 953210802 /nfs/dbraw/zinc/21/08/02/953210802.db2.gz YJRDGWDMEWHEDG-MRVPVSSYSA-N -1 1 383.865 1.416 20 0 GDADMM CC1(C(=O)N2CCO[C@H](CNc3nc(Cl)c(-c4nn[n-]n4)s3)C2)CC1 ZINC001571235252 953210804 /nfs/dbraw/zinc/21/08/04/953210804.db2.gz YJRDGWDMEWHEDG-MRVPVSSYSA-N -1 1 383.865 1.416 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CCC[C@H]2c2ncccn2)cc1-c1nn[n-]n1 ZINC001571241578 953248205 /nfs/dbraw/zinc/24/82/05/953248205.db2.gz DWAPVECYOYQEPV-NSHDSACASA-N -1 1 384.425 1.457 20 0 GDADMM CCc1ccc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H]2C)s1 ZINC001571244587 953265358 /nfs/dbraw/zinc/26/53/58/953265358.db2.gz BPYDZHCOAFIRIJ-JQWIXIFHSA-N -1 1 384.469 1.996 20 0 GDADMM CCc1ccc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H]2C)s1 ZINC001571244587 953265361 /nfs/dbraw/zinc/26/53/61/953265361.db2.gz BPYDZHCOAFIRIJ-JQWIXIFHSA-N -1 1 384.469 1.996 20 0 GDADMM Cc1nsc(N2CC[C@](C)(NC(=O)c3cnccc3C)C2)c1-c1nn[n-]n1 ZINC001571244788 953267376 /nfs/dbraw/zinc/26/73/76/953267376.db2.gz ITFGPZIDEFRGIO-KRWDZBQOSA-N -1 1 384.469 1.734 20 0 GDADMM C[C@H]1CN(C(=O)CCc2ccsc2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571245495 953273717 /nfs/dbraw/zinc/27/37/17/953273717.db2.gz SPLNIXMPBAXOMY-FZMZJTMJSA-N -1 1 384.469 1.610 20 0 GDADMM C[C@H]1CN(C(=O)CCc2ccsc2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571245495 953273720 /nfs/dbraw/zinc/27/37/20/953273720.db2.gz SPLNIXMPBAXOMY-FZMZJTMJSA-N -1 1 384.469 1.610 20 0 GDADMM Cc1nsc(N[C@H]2CCN(C(=O)Cc3cnccc3C)C2)c1-c1nn[n-]n1 ZINC001571245507 953274371 /nfs/dbraw/zinc/27/43/71/953274371.db2.gz SYKVMNATJBVKCE-ZDUSSCGKSA-N -1 1 384.469 1.591 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccsc2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571245526 953274382 /nfs/dbraw/zinc/27/43/82/953274382.db2.gz JUBJMLNDIGWEMB-YPMHNXCESA-N -1 1 384.469 1.929 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccsc2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571245526 953274386 /nfs/dbraw/zinc/27/43/86/953274386.db2.gz JUBJMLNDIGWEMB-YPMHNXCESA-N -1 1 384.469 1.929 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)c3ccsc3)[C@H]2C)n1 ZINC001571245511 953274580 /nfs/dbraw/zinc/27/45/80/953274580.db2.gz SZXGCFPUPCLBRD-PWSUYJOCSA-N -1 1 384.469 1.678 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)c3ccsc3)[C@H]2C)n1 ZINC001571245511 953274582 /nfs/dbraw/zinc/27/45/82/953274582.db2.gz SZXGCFPUPCLBRD-PWSUYJOCSA-N -1 1 384.469 1.678 20 0 GDADMM Cc1scc(C(=O)N2C[C@@H](C)[C@H](Nc3nccnc3-c3nnn[n-]3)C2)c1C ZINC001571247810 953286223 /nfs/dbraw/zinc/28/62/23/953286223.db2.gz FMUDNQDBWGXALN-NOZJJQNGSA-N -1 1 384.469 1.908 20 0 GDADMM Cc1scc(C(=O)N2C[C@@H](C)[C@H](Nc3nccnc3-c3nn[n-]n3)C2)c1C ZINC001571247810 953286225 /nfs/dbraw/zinc/28/62/25/953286225.db2.gz FMUDNQDBWGXALN-NOZJJQNGSA-N -1 1 384.469 1.908 20 0 GDADMM O=C(C1=COCCC1)N1CCCC[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001571248550 953294019 /nfs/dbraw/zinc/29/40/19/953294019.db2.gz GIUVLDSYPHOKDF-AWEZNQCLSA-N -1 1 384.444 1.534 20 0 GDADMM O=C(C1=COCCC1)N1CCCC[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001571248550 953294023 /nfs/dbraw/zinc/29/40/23/953294023.db2.gz GIUVLDSYPHOKDF-AWEZNQCLSA-N -1 1 384.444 1.534 20 0 GDADMM C[C@H](CC(=O)N1CCC(CCNc2ccnc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001571249057 953300531 /nfs/dbraw/zinc/30/05/31/953300531.db2.gz CAMLDCHESXYYTO-CYBMUJFWSA-N -1 1 384.488 1.555 20 0 GDADMM C[C@@H]1CC[C@H](NC(=O)C2C(C)(C)C2(C)C)CN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571249228 953302657 /nfs/dbraw/zinc/30/26/57/953302657.db2.gz GKBJKRMZJBMSIR-NEPJUHHUSA-N -1 1 384.488 1.812 20 0 GDADMM C[C@@H]1CC[C@H](NC(=O)C2C(C)(C)C2(C)C)CN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571249228 953302659 /nfs/dbraw/zinc/30/26/59/953302659.db2.gz GKBJKRMZJBMSIR-NEPJUHHUSA-N -1 1 384.488 1.812 20 0 GDADMM C[C@@H](NC(=O)C1CCCCC1)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571249461 953306110 /nfs/dbraw/zinc/30/61/10/953306110.db2.gz JIIVSXWVBXYYKO-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CCC(CC(=O)N2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)CC1 ZINC001571249700 953307507 /nfs/dbraw/zinc/30/75/07/953307507.db2.gz KNLJHNPQFVNIQV-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC1(C)CCC(CC(=O)N2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)CC1 ZINC001571249700 953307512 /nfs/dbraw/zinc/30/75/12/953307512.db2.gz KNLJHNPQFVNIQV-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@@H](CC(=O)N1CCCC[C@H]1CN(C)c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001571250847 953312960 /nfs/dbraw/zinc/31/29/60/953312960.db2.gz UBEBBCVJGSGVDZ-ZFWWWQNUSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](CC(=O)N1CCCC[C@H]1CN(C)c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001571250847 953312962 /nfs/dbraw/zinc/31/29/62/953312962.db2.gz UBEBBCVJGSGVDZ-ZFWWWQNUSA-N -1 1 384.488 1.910 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H]([C@H](C)NC(=O)C3CCCC3)C2)n1 ZINC001571252317 953326272 /nfs/dbraw/zinc/32/62/72/953326272.db2.gz KVCZWWFVDHIADZ-ZFWWWQNUSA-N -1 1 384.488 1.876 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H]([C@H](C)NC(=O)C3CCCC3)C2)n1 ZINC001571252317 953326277 /nfs/dbraw/zinc/32/62/77/953326277.db2.gz KVCZWWFVDHIADZ-ZFWWWQNUSA-N -1 1 384.488 1.876 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)CC2CC(C)(C)C2)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571252531 953329731 /nfs/dbraw/zinc/32/97/31/953329731.db2.gz OWEXDXURZKDQRJ-UONOGXRCSA-N -1 1 384.488 1.957 20 0 GDADMM CN(C[C@@H]1CCCN1C(=O)[C@@H]1CCCC1(C)C)c1cncc(-c2nnn[n-]2)n1 ZINC001571252545 953330133 /nfs/dbraw/zinc/33/01/33/953330133.db2.gz PKQHYZRKTVIZFJ-KBPBESRZSA-N -1 1 384.488 1.910 20 0 GDADMM CN(C[C@@H]1CCCN1C(=O)[C@@H]1CCCC1(C)C)c1cncc(-c2nn[n-]n2)n1 ZINC001571252545 953330139 /nfs/dbraw/zinc/33/01/39/953330139.db2.gz PKQHYZRKTVIZFJ-KBPBESRZSA-N -1 1 384.488 1.910 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](NC(=O)[C@@H]3C[C@H]3C(C)(C)C)C2)n1 ZINC001571252883 953333896 /nfs/dbraw/zinc/33/38/96/953333896.db2.gz XYLVQQYRANUNIT-JHJVBQTASA-N -1 1 384.488 1.596 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](NC(=O)[C@@H]3C[C@H]3C(C)(C)C)C2)n1 ZINC001571252883 953333899 /nfs/dbraw/zinc/33/38/99/953333899.db2.gz XYLVQQYRANUNIT-JHJVBQTASA-N -1 1 384.488 1.596 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)C3CCC(C)(C)CC3)C2)n1 ZINC001571252910 953333985 /nfs/dbraw/zinc/33/39/85/953333985.db2.gz YSCQGNSNKXHJSZ-AWEZNQCLSA-N -1 1 384.488 1.876 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)C3CCC(C)(C)CC3)C2)n1 ZINC001571252910 953333989 /nfs/dbraw/zinc/33/39/89/953333989.db2.gz YSCQGNSNKXHJSZ-AWEZNQCLSA-N -1 1 384.488 1.876 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccc(Cl)cc1 ZINC001571254651 953340827 /nfs/dbraw/zinc/34/08/27/953340827.db2.gz FQXHCJSREBSQAD-ZDUSSCGKSA-N -1 1 384.831 1.709 20 0 GDADMM CC(C)(CCNC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)C(=O)[O-] ZINC000424405296 953470537 /nfs/dbraw/zinc/47/05/37/953470537.db2.gz OAFNPXBUACNUNT-SJORKVTESA-N -1 1 377.485 1.670 20 0 GDADMM Cc1ccc(NC(=O)CN2CC[C@@H](C(=O)[O-])[C@H](C)C2)cc1S(=O)(=O)N(C)C 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0 GDADMM CCc1nc2ccccc2n1CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736707137 598875386 /nfs/dbraw/zinc/87/53/86/598875386.db2.gz WRXJYCQYTXYDAQ-UHFFFAOYSA-N -1 1 398.452 1.152 20 0 GDADMM CCc1nc2ccccc2n1CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736707137 598875387 /nfs/dbraw/zinc/87/53/87/598875387.db2.gz WRXJYCQYTXYDAQ-UHFFFAOYSA-N -1 1 398.452 1.152 20 0 GDADMM O=C(NCCn1cncn1)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000738094468 598891067 /nfs/dbraw/zinc/89/10/67/598891067.db2.gz IKTZPXDHVJKYDG-UHFFFAOYSA-N -1 1 395.452 1.686 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC[C@](C)(O)c2cccs2)cc1-c1nn[n-]n1 ZINC000737188102 598892222 /nfs/dbraw/zinc/89/22/22/598892222.db2.gz YUJCRRAGFUGOQN-HNNXBMFYSA-N -1 1 392.466 1.388 20 0 GDADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc(-c2nncn2C)cc1 ZINC000737301341 598930397 /nfs/dbraw/zinc/93/03/97/598930397.db2.gz KGDMMXSEUJBMDY-UHFFFAOYSA-N -1 1 396.436 1.771 20 0 GDADMM CO[C@H](C)CN(C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)C(C)C ZINC000736961801 598946025 /nfs/dbraw/zinc/94/60/25/598946025.db2.gz MAOKLGRKOMKDKH-LLVKDONJSA-N -1 1 376.461 1.789 20 0 GDADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc2c(c1)OCC(=O)N2 ZINC000737225246 598948567 /nfs/dbraw/zinc/94/85/67/598948567.db2.gz LQLGUICNGIZDJW-UHFFFAOYSA-N -1 1 386.393 1.307 20 0 GDADMM CC(C)c1nnc2n1C[C@H](Nc1c3ccccc3nnc1-c1nnn[n-]1)CC2 ZINC000735951964 598962858 /nfs/dbraw/zinc/96/28/58/598962858.db2.gz ASXPNIGPNJOLFS-LLVKDONJSA-N -1 1 376.428 1.952 20 0 GDADMM CC(C)c1nnc2n1C[C@H](Nc1c3ccccc3nnc1-c1nn[n-]n1)CC2 ZINC000735951964 598962861 /nfs/dbraw/zinc/96/28/61/598962861.db2.gz ASXPNIGPNJOLFS-LLVKDONJSA-N -1 1 376.428 1.952 20 0 GDADMM CCOC(=O)CSc1nnc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)s1 ZINC000736598390 598980008 /nfs/dbraw/zinc/98/00/08/598980008.db2.gz DFJUMVLYDMGJFV-UHFFFAOYSA-N -1 1 392.426 1.021 20 0 GDADMM CCOC(=O)CSc1nnc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)s1 ZINC000736598390 598980010 /nfs/dbraw/zinc/98/00/10/598980010.db2.gz DFJUMVLYDMGJFV-UHFFFAOYSA-N -1 1 392.426 1.021 20 0 GDADMM O=C(NC1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1)c1ccccc1 ZINC000738025289 598986286 /nfs/dbraw/zinc/98/62/86/598986286.db2.gz MMYZDKPBEFBTLP-UHFFFAOYSA-N -1 1 377.408 1.296 20 0 GDADMM O=C(NC1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1)c1ccccc1 ZINC000738025289 598986287 /nfs/dbraw/zinc/98/62/87/598986287.db2.gz MMYZDKPBEFBTLP-UHFFFAOYSA-N -1 1 377.408 1.296 20 0 GDADMM Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)C2)nc1 ZINC000737355415 598994916 /nfs/dbraw/zinc/99/49/16/598994916.db2.gz GPADNOXBZAHSGE-AWEZNQCLSA-N -1 1 392.423 1.456 20 0 GDADMM Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)C2)nc1 ZINC000737355415 598994918 /nfs/dbraw/zinc/99/49/18/598994918.db2.gz GPADNOXBZAHSGE-AWEZNQCLSA-N -1 1 392.423 1.456 20 0 GDADMM O=C(NC1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1)c1ccsc1 ZINC000738021419 598998002 /nfs/dbraw/zinc/99/80/02/598998002.db2.gz BUYIZSYRGHBWMM-UHFFFAOYSA-N -1 1 383.437 1.358 20 0 GDADMM O=C(NC1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1)c1ccsc1 ZINC000738021419 598998003 /nfs/dbraw/zinc/99/80/03/598998003.db2.gz BUYIZSYRGHBWMM-UHFFFAOYSA-N -1 1 383.437 1.358 20 0 GDADMM CN1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c2cc(F)ccc21 ZINC000736857364 599008695 /nfs/dbraw/zinc/00/86/95/599008695.db2.gz SECPKSAEPIQCSZ-UHFFFAOYSA-N -1 1 389.416 1.436 20 0 GDADMM CN1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c2cc(F)ccc21 ZINC000736857364 599008698 /nfs/dbraw/zinc/00/86/98/599008698.db2.gz SECPKSAEPIQCSZ-UHFFFAOYSA-N -1 1 389.416 1.436 20 0 GDADMM CCOc1ccc(CN2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)cc1 ZINC000736644492 599019565 /nfs/dbraw/zinc/01/95/65/599019565.db2.gz ZYRPXIXOHKKZSK-UHFFFAOYSA-N -1 1 393.451 1.618 20 0 GDADMM CCOc1ccc(CN2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)cc1 ZINC000736644492 599019567 /nfs/dbraw/zinc/01/95/67/599019567.db2.gz ZYRPXIXOHKKZSK-UHFFFAOYSA-N -1 1 393.451 1.618 20 0 GDADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1NS(C)(=O)=O ZINC000736117856 599022257 /nfs/dbraw/zinc/02/22/57/599022257.db2.gz HESSHBPXZGSBHV-SNVBAGLBSA-N -1 1 387.425 1.124 20 0 GDADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1NS(C)(=O)=O ZINC000736117856 599022259 /nfs/dbraw/zinc/02/22/59/599022259.db2.gz HESSHBPXZGSBHV-SNVBAGLBSA-N -1 1 387.425 1.124 20 0 GDADMM O=C(Nc1ccccn1)[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000738196955 599024334 /nfs/dbraw/zinc/02/43/34/599024334.db2.gz PVNNYWONWGQCMF-ZDUSSCGKSA-N -1 1 378.396 1.148 20 0 GDADMM O=C(Nc1ccccn1)[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000738196955 599024335 /nfs/dbraw/zinc/02/43/35/599024335.db2.gz PVNNYWONWGQCMF-ZDUSSCGKSA-N -1 1 378.396 1.148 20 0 GDADMM CN(Cc1ccco1)C(=O)[C@H]1CSCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736828587 599026887 /nfs/dbraw/zinc/02/68/87/599026887.db2.gz OFYCIZGWUTVRRY-CQSZACIVSA-N -1 1 399.436 1.028 20 0 GDADMM CN(Cc1ccco1)C(=O)[C@H]1CSCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736828587 599026889 /nfs/dbraw/zinc/02/68/89/599026889.db2.gz OFYCIZGWUTVRRY-CQSZACIVSA-N -1 1 399.436 1.028 20 0 GDADMM Cc1nn(Cc2ccc(OCC(F)(F)F)nc2)c(=O)c(-c2nn[n-]n2)c1C ZINC000822500779 607258389 /nfs/dbraw/zinc/25/83/89/607258389.db2.gz GRDILJRJHYYHFU-UHFFFAOYSA-N -1 1 381.318 1.425 20 0 GDADMM CC(C)N(Cc1ccccc1)C(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735874459 599134099 /nfs/dbraw/zinc/13/40/99/599134099.db2.gz PEYZILKEZHUBED-UHFFFAOYSA-N -1 1 380.408 1.856 20 0 GDADMM CC(C)N(Cc1ccccc1)C(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735874459 599134101 /nfs/dbraw/zinc/13/41/01/599134101.db2.gz PEYZILKEZHUBED-UHFFFAOYSA-N -1 1 380.408 1.856 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N1CCSc2ccccc21 ZINC000736159612 599134135 /nfs/dbraw/zinc/13/41/35/599134135.db2.gz XNZGFWRZCKXDCF-NSHDSACASA-N -1 1 396.432 1.946 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N1CCSc2ccccc21 ZINC000736159612 599134137 /nfs/dbraw/zinc/13/41/37/599134137.db2.gz XNZGFWRZCKXDCF-NSHDSACASA-N -1 1 396.432 1.946 20 0 GDADMM CC(=O)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735503968 599134362 /nfs/dbraw/zinc/13/43/62/599134362.db2.gz LFOZJVFMARKFQL-LLVKDONJSA-N -1 1 380.364 1.648 20 0 GDADMM CC(=O)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735503968 599134365 /nfs/dbraw/zinc/13/43/65/599134365.db2.gz LFOZJVFMARKFQL-LLVKDONJSA-N -1 1 380.364 1.648 20 0 GDADMM Cc1ccc(CN(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)C2CC2)cc1 ZINC000737336399 599137088 /nfs/dbraw/zinc/13/70/88/599137088.db2.gz BKBWBIGNLWNBKN-UHFFFAOYSA-N -1 1 392.419 1.918 20 0 GDADMM Cc1ccc(CN(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)C2CC2)cc1 ZINC000737336399 599137090 /nfs/dbraw/zinc/13/70/90/599137090.db2.gz BKBWBIGNLWNBKN-UHFFFAOYSA-N -1 1 392.419 1.918 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000738220207 599137616 /nfs/dbraw/zinc/13/76/16/599137616.db2.gz QCUHTUBCUZFWAB-SNVBAGLBSA-N -1 1 384.318 1.219 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000738220207 599137618 /nfs/dbraw/zinc/13/76/18/599137618.db2.gz QCUHTUBCUZFWAB-SNVBAGLBSA-N -1 1 384.318 1.219 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@H]2CCCc3nc(C)ncc32)cc1-c1nn[n-]n1 ZINC000737186962 599184093 /nfs/dbraw/zinc/18/40/93/599184093.db2.gz MLHSMJQMUFGBSR-ZDUSSCGKSA-N -1 1 398.452 1.595 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCS[C@H](C)[C@H]1C ZINC000737199739 599302399 /nfs/dbraw/zinc/30/23/99/599302399.db2.gz IZDNDRASQBQMPM-VXGBXAGGSA-N -1 1 376.486 1.869 20 0 GDADMM O=C([O-])C[C@H]1CCCN(C(=O)NCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000819358122 597058061 /nfs/dbraw/zinc/05/80/61/597058061.db2.gz SGZLBNUCSCEJDB-LJQANCHMSA-N -1 1 388.512 1.701 20 0 GDADMM Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000533203144 597074254 /nfs/dbraw/zinc/07/42/54/597074254.db2.gz NBPNUJZQPRKONK-HOTGVXAUSA-N -1 1 375.469 1.933 20 0 GDADMM O=C([O-])C[C@H]1CCCN(CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000532880992 597074808 /nfs/dbraw/zinc/07/48/08/597074808.db2.gz ISVJLSSQWNNQHV-XXWNAHEMSA-N -1 1 377.485 1.968 20 0 GDADMM Cc1nc(C(=O)N2CCC[C@H](CC(=O)[O-])C2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000566773997 597097821 /nfs/dbraw/zinc/09/78/21/597097821.db2.gz NORCUJGTLKMFAO-MRVPVSSYSA-N -1 1 387.322 1.040 20 0 GDADMM COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCCC(=O)[O-])c1 ZINC000509180505 597116210 /nfs/dbraw/zinc/11/62/10/597116210.db2.gz BWQAEOHYCCJJAT-UHFFFAOYSA-N -1 1 378.406 1.701 20 0 GDADMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)Cc1ccc(Br)cc1 ZINC000534784236 597228138 /nfs/dbraw/zinc/22/81/38/597228138.db2.gz BKOPLYILXSPBTF-UHFFFAOYSA-N -1 1 379.276 1.227 20 0 GDADMM Cc1cccc(S(=O)(=O)N(CCN(C)C)CC(=O)[O-])c1Br ZINC000556214746 597302490 /nfs/dbraw/zinc/30/24/90/597302490.db2.gz DHHHGQDQNXRBHL-UHFFFAOYSA-N -1 1 379.276 1.394 20 0 GDADMM Cn1ccnc1-c1cc(NC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)[nH]n1 ZINC000819072125 597323309 /nfs/dbraw/zinc/32/33/09/597323309.db2.gz FNAXLMKSXRPFPJ-CQSZACIVSA-N -1 1 379.380 1.468 20 0 GDADMM CN1CCN(c2cc(CNC(=O)Nc3ccccc3CC(=O)[O-])ccn2)CC1 ZINC000818482355 597333017 /nfs/dbraw/zinc/33/30/17/597333017.db2.gz PADQHKGIYULBMW-UHFFFAOYSA-N -1 1 383.452 1.782 20 0 GDADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc(-c2nc[nH]n2)cc1 ZINC000737301976 599262320 /nfs/dbraw/zinc/26/23/20/599262320.db2.gz ZIVHIJDQHWUKOK-UHFFFAOYSA-N -1 1 382.409 1.761 20 0 GDADMM COc1ccccc1[C@@H](CNC(=O)N1CCO[C@@H](C(=O)[O-])C1)N1CCCC1 ZINC000738120032 597412899 /nfs/dbraw/zinc/41/28/99/597412899.db2.gz KKEBBAILRCVQOC-NVXWUHKLSA-N -1 1 377.441 1.327 20 0 GDADMM O=c1n(Cc2cccc(NCc3ccc(-c4nnn[n-]4)o3)c2)nc2ccccn21 ZINC000823665301 607312724 /nfs/dbraw/zinc/31/27/24/607312724.db2.gz GZODXVILTUFQKE-UHFFFAOYSA-N -1 1 388.391 1.930 20 0 GDADMM O=c1n(Cc2cccc(NCc3ccc(-c4nn[n-]n4)o3)c2)nc2ccccn21 ZINC000823665301 607312725 /nfs/dbraw/zinc/31/27/25/607312725.db2.gz GZODXVILTUFQKE-UHFFFAOYSA-N -1 1 388.391 1.930 20 0 GDADMM CC[C@H](C)NC(=O)CN1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000736323237 599266350 /nfs/dbraw/zinc/26/63/50/599266350.db2.gz CWIYEICYPRJNEI-AWEZNQCLSA-N -1 1 394.483 1.452 20 0 GDADMM CN(C(=O)CN1CC[C@H](C(=O)[O-])C1)c1ccccc1C(=O)NCc1ccco1 ZINC000818363798 597528842 /nfs/dbraw/zinc/52/88/42/597528842.db2.gz VSCQEGZRQXCJMT-AWEZNQCLSA-N -1 1 385.420 1.579 20 0 GDADMM CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2CC[C@@H](C(=O)[O-])C2)c1 ZINC000262668545 597534817 /nfs/dbraw/zinc/53/48/17/597534817.db2.gz QLUXOEWTVUHFAP-CYBMUJFWSA-N -1 1 383.470 1.062 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@H](C)Cc2cccc(O)c2)cc1-c1nn[n-]n1 ZINC000821970007 607324705 /nfs/dbraw/zinc/32/47/05/607324705.db2.gz IPLZSAJFHVZVDE-SECBINFHSA-N -1 1 386.437 1.756 20 0 GDADMM COC[C@H](OC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)C(F)(F)F ZINC000826151950 607780126 /nfs/dbraw/zinc/78/01/26/607780126.db2.gz MUKGFYXAWYKQIC-JTQLQIEISA-N -1 1 389.334 1.637 20 0 GDADMM CCOC(=O)c1cccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736602095 598259334 /nfs/dbraw/zinc/25/93/34/598259334.db2.gz FVYQLLXWPNVDKW-UHFFFAOYSA-N -1 1 375.366 1.206 20 0 GDADMM CCOC(=O)c1cccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736602095 598259336 /nfs/dbraw/zinc/25/93/36/598259336.db2.gz FVYQLLXWPNVDKW-UHFFFAOYSA-N -1 1 375.366 1.206 20 0 GDADMM Cc1ccc(-c2nn[nH]n2)cc1NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000737293035 598259380 /nfs/dbraw/zinc/25/93/80/598259380.db2.gz YUXKDJQAPRXOSO-UHFFFAOYSA-N -1 1 378.396 1.721 20 0 GDADMM CC(C)OCc1ccccc1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735903948 598263665 /nfs/dbraw/zinc/26/36/65/598263665.db2.gz JGKAJAZOTZLYJF-UHFFFAOYSA-N -1 1 388.453 1.665 20 0 GDADMM CC(C)OCc1ccccc1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735903948 598263667 /nfs/dbraw/zinc/26/36/67/598263667.db2.gz JGKAJAZOTZLYJF-UHFFFAOYSA-N -1 1 388.453 1.665 20 0 GDADMM O=S(=O)(NCc1ccccc1Br)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344235 598271636 /nfs/dbraw/zinc/27/16/36/598271636.db2.gz CTBICRCDYXVJQY-UHFFFAOYSA-N -1 1 395.242 1.503 20 0 GDADMM O=S(=O)(NCc1ccccc1Br)c1ccc(-c2nn[n-]n2)nc1 ZINC000738344235 598271637 /nfs/dbraw/zinc/27/16/37/598271637.db2.gz CTBICRCDYXVJQY-UHFFFAOYSA-N -1 1 395.242 1.503 20 0 GDADMM CNS(=O)(=O)Cc1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000736884471 598275089 /nfs/dbraw/zinc/27/50/89/598275089.db2.gz UOFIVTOYBCGOKH-UHFFFAOYSA-N -1 1 393.860 1.576 20 0 GDADMM CNS(=O)(=O)Cc1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000736884471 598275091 /nfs/dbraw/zinc/27/50/91/598275091.db2.gz UOFIVTOYBCGOKH-UHFFFAOYSA-N -1 1 393.860 1.576 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)O[C@H](C(=O)N(C)C)C(C)C ZINC000737200353 598287064 /nfs/dbraw/zinc/28/70/64/598287064.db2.gz LQKNRKNMIOEAHX-HNNXBMFYSA-N -1 1 390.444 1.173 20 0 GDADMM Cc1cc(Oc2ncccc2-c2nn[n-]n2)ccc1NC(=O)[C@H]1CCC(=O)N1 ZINC000737280245 598308012 /nfs/dbraw/zinc/30/80/12/598308012.db2.gz OSMRRFKKGYKPJU-CQSZACIVSA-N -1 1 379.380 1.580 20 0 GDADMM C[C@@H](NC(=S)NCCCc1[nH]nc(N)c1-c1nnn[n-]1)c1cccs1 ZINC000736124207 598321968 /nfs/dbraw/zinc/32/19/68/598321968.db2.gz FRYWNNKCFVUHBI-MRVPVSSYSA-N -1 1 377.503 1.391 20 0 GDADMM C[C@@H](NC(=S)NCCCc1[nH]nc(N)c1-c1nn[n-]n1)c1cccs1 ZINC000736124207 598321970 /nfs/dbraw/zinc/32/19/70/598321970.db2.gz FRYWNNKCFVUHBI-MRVPVSSYSA-N -1 1 377.503 1.391 20 0 GDADMM COc1ccc(OC)c(NC(=S)NNc2oc(C)nc2-c2nn[n-]n2)c1 ZINC000737109948 598322831 /nfs/dbraw/zinc/32/28/31/598322831.db2.gz PYQIFSFCSGEVAH-UHFFFAOYSA-N -1 1 376.402 1.494 20 0 GDADMM O=C(NCCNc1nccnc1-c1nnn[n-]1)c1ccc(Br)cc1 ZINC000738081324 598347556 /nfs/dbraw/zinc/34/75/56/598347556.db2.gz BEUCUIXCSPIPIJ-UHFFFAOYSA-N -1 1 389.217 1.261 20 0 GDADMM O=C(NCCNc1nccnc1-c1nn[n-]n1)c1ccc(Br)cc1 ZINC000738081324 598347558 /nfs/dbraw/zinc/34/75/58/598347558.db2.gz BEUCUIXCSPIPIJ-UHFFFAOYSA-N -1 1 389.217 1.261 20 0 GDADMM CC(C)NS(=O)(=O)Cc1ccc(CNc2nccnc2-c2nnn[n-]2)cc1 ZINC000735893016 598347917 /nfs/dbraw/zinc/34/79/17/598347917.db2.gz SPCKYOFZWLUCPY-UHFFFAOYSA-N -1 1 388.457 1.097 20 0 GDADMM CC(C)NS(=O)(=O)Cc1ccc(CNc2nccnc2-c2nn[n-]n2)cc1 ZINC000735893016 598347919 /nfs/dbraw/zinc/34/79/19/598347919.db2.gz SPCKYOFZWLUCPY-UHFFFAOYSA-N -1 1 388.457 1.097 20 0 GDADMM CC1(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)CCOCC1 ZINC000736203349 598366227 /nfs/dbraw/zinc/36/62/27/598366227.db2.gz MYMYFNNEZUNIKO-UHFFFAOYSA-N -1 1 387.444 1.197 20 0 GDADMM CCc1nn(C[C@@H](O)COCc2cccs2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706610 598374054 /nfs/dbraw/zinc/37/40/54/598374054.db2.gz YCOHWYXLALFRTK-LLVKDONJSA-N -1 1 390.469 1.187 20 0 GDADMM CCc1nn(C[C@H](O)COCc2cccs2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706615 598374337 /nfs/dbraw/zinc/37/43/37/598374337.db2.gz YCOHWYXLALFRTK-NSHDSACASA-N -1 1 390.469 1.187 20 0 GDADMM CCc1nn(Cc2cccc(C(=O)N(C)C)c2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736708739 598378523 /nfs/dbraw/zinc/37/85/23/598378523.db2.gz ZSIYYCSSTBXZGW-UHFFFAOYSA-N -1 1 381.440 1.298 20 0 GDADMM Cc1c[nH]cc1C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000737218567 598409739 /nfs/dbraw/zinc/40/97/39/598409739.db2.gz MPKMXHKRGWXLTM-UHFFFAOYSA-N -1 1 392.379 1.484 20 0 GDADMM Cc1c[nH]cc1C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737218567 598409740 /nfs/dbraw/zinc/40/97/40/598409740.db2.gz MPKMXHKRGWXLTM-UHFFFAOYSA-N -1 1 392.379 1.484 20 0 GDADMM Cc1nc(C)n(C[C@H]2CN(c3snc(Cl)c3-c3nnn[n-]3)CCO2)n1 ZINC000737474458 598544940 /nfs/dbraw/zinc/54/49/40/598544940.db2.gz PHGKNRDRQNFENE-SECBINFHSA-N -1 1 381.853 1.090 20 0 GDADMM Cc1nc(C)n(C[C@H]2CN(c3snc(Cl)c3-c3nn[n-]n3)CCO2)n1 ZINC000737474458 598544941 /nfs/dbraw/zinc/54/49/41/598544941.db2.gz PHGKNRDRQNFENE-SECBINFHSA-N -1 1 381.853 1.090 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1ccnc2ccnn21 ZINC000737199775 598565695 /nfs/dbraw/zinc/56/56/95/598565695.db2.gz JGBHEFGFCODNSR-UHFFFAOYSA-N -1 1 379.384 1.198 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCc1nc(C[C@H]2CCCO2)no1 ZINC000737486779 598609933 /nfs/dbraw/zinc/60/99/33/598609933.db2.gz DNRKYDYDAMIPMY-GFCCVEGCSA-N -1 1 395.427 1.416 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCc1nc(C[C@H]2CCCO2)no1 ZINC000737486779 598609934 /nfs/dbraw/zinc/60/99/34/598609934.db2.gz DNRKYDYDAMIPMY-GFCCVEGCSA-N -1 1 395.427 1.416 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCc1nc(-c2ncccn2)no1 ZINC000737488362 598610197 /nfs/dbraw/zinc/61/01/97/598610197.db2.gz SXOYIGUMVNKWCN-UHFFFAOYSA-N -1 1 389.383 1.151 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCc1nc(-c2ncccn2)no1 ZINC000737488362 598610198 /nfs/dbraw/zinc/61/01/98/598610198.db2.gz SXOYIGUMVNKWCN-UHFFFAOYSA-N -1 1 389.383 1.151 20 0 GDADMM CCc1nn(CC(=O)N(C(C)C)C2CCCC2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705409 598640412 /nfs/dbraw/zinc/64/04/12/598640412.db2.gz HUHLVEYRECWTOZ-UHFFFAOYSA-N -1 1 387.488 1.728 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1cnc(C2CC2)nc1 ZINC000737202249 598660520 /nfs/dbraw/zinc/66/05/20/598660520.db2.gz YQJNEFVLXUWLTM-UHFFFAOYSA-N -1 1 380.412 1.823 20 0 GDADMM O=C(Cn1cccc(-c2nn[n-]n2)c1=O)Nc1ccc(Br)cc1F ZINC000737987351 598677682 /nfs/dbraw/zinc/67/76/82/598677682.db2.gz WSVCMSOCUNKBLN-UHFFFAOYSA-N -1 1 393.176 1.569 20 0 GDADMM COc1ccc(C=O)cc1OS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737083579 598686929 /nfs/dbraw/zinc/68/69/29/598686929.db2.gz RPUDPPQDDUWRNA-UHFFFAOYSA-N -1 1 378.341 1.595 20 0 GDADMM COCCc1ccc(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000737013469 598687126 /nfs/dbraw/zinc/68/71/26/598687126.db2.gz ITGOQCTWNRAOLT-UHFFFAOYSA-N -1 1 378.385 1.962 20 0 GDADMM CCCNC(=O)NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21 ZINC000736482883 598720765 /nfs/dbraw/zinc/72/07/65/598720765.db2.gz BHUJQRMFHPGAGJ-UHFFFAOYSA-N -1 1 389.803 1.071 20 0 GDADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)c1ccc2c(c1)OCCO2 ZINC000737980446 598722152 /nfs/dbraw/zinc/72/21/52/598722152.db2.gz FQOZCHZTXFICAU-UHFFFAOYSA-N -1 1 389.371 1.836 20 0 GDADMM O=C(/C=C\C1CCOCC1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000737797128 598755306 /nfs/dbraw/zinc/75/53/06/598755306.db2.gz QCZOQMGJNYZTER-RJRFIUFISA-N -1 1 399.455 1.364 20 0 GDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000737488581 598807993 /nfs/dbraw/zinc/80/79/93/598807993.db2.gz RJMFUGDGHQUWIS-UHFFFAOYSA-N -1 1 392.423 1.433 20 0 GDADMM CC[C@H](C)[C@H](NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)C(=O)OC ZINC000736666536 598818624 /nfs/dbraw/zinc/81/86/24/598818624.db2.gz KUTGNQSZTGZLMP-VFZGTOFNSA-N -1 1 390.444 1.221 20 0 GDADMM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1 ZINC000821772632 599305876 /nfs/dbraw/zinc/30/58/76/599305876.db2.gz JBXPIFOVZMMPRB-UHFFFAOYSA-N -1 1 393.356 1.513 20 0 GDADMM CC[C@H](Cc1ccc(C)cc1)N(C)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736351929 599321766 /nfs/dbraw/zinc/32/17/66/599321766.db2.gz JCMRMLFPZGRKPS-CQSZACIVSA-N -1 1 383.456 1.030 20 0 GDADMM CC(C)(C)[C@H]1OCCC[C@@H]1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735598059 599322952 /nfs/dbraw/zinc/32/29/52/599322952.db2.gz WUWZPSVQTPPOFF-RISCZKNCSA-N -1 1 380.474 1.381 20 0 GDADMM CC(C)(C)[C@H]1OCCC[C@@H]1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735598059 599322954 /nfs/dbraw/zinc/32/29/54/599322954.db2.gz WUWZPSVQTPPOFF-RISCZKNCSA-N -1 1 380.474 1.381 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCC2(CC1)OCCO2 ZINC000823601188 599336920 /nfs/dbraw/zinc/33/69/20/599336920.db2.gz VIWFBAFKZKMWFN-UHFFFAOYSA-N -1 1 385.833 1.048 20 0 GDADMM O=S(=O)(NCCc1c[nH]c2ccc(F)cc12)c1ccc(-c2nnn[n-]2)nc1 ZINC000823577925 599345731 /nfs/dbraw/zinc/34/57/31/599345731.db2.gz DALFKNKTDAEARS-UHFFFAOYSA-N -1 1 387.400 1.403 20 0 GDADMM O=S(=O)(NCCc1c[nH]c2ccc(F)cc12)c1ccc(-c2nn[n-]n2)nc1 ZINC000823577925 599345734 /nfs/dbraw/zinc/34/57/34/599345734.db2.gz DALFKNKTDAEARS-UHFFFAOYSA-N -1 1 387.400 1.403 20 0 GDADMM C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC000736298471 599350506 /nfs/dbraw/zinc/35/05/06/599350506.db2.gz QASCJUCPKPLKHD-WDEREUQCSA-N -1 1 390.448 1.829 20 0 GDADMM C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC000736298471 599350509 /nfs/dbraw/zinc/35/05/09/599350509.db2.gz QASCJUCPKPLKHD-WDEREUQCSA-N -1 1 390.448 1.829 20 0 GDADMM COc1ccc2c(c1)OCC[C@@H]2NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821854871 599354611 /nfs/dbraw/zinc/35/46/11/599354611.db2.gz ZAZFIICIVWHMEI-ZDUSSCGKSA-N -1 1 388.409 1.072 20 0 GDADMM COc1ccc2c(c1)OCC[C@@H]2NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821854871 599354615 /nfs/dbraw/zinc/35/46/15/599354615.db2.gz ZAZFIICIVWHMEI-ZDUSSCGKSA-N -1 1 388.409 1.072 20 0 GDADMM COc1cccc(F)c1[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821872066 599360005 /nfs/dbraw/zinc/36/00/05/599360005.db2.gz IEKLXZZRLZIREO-VIFPVBQESA-N -1 1 378.389 1.449 20 0 GDADMM COc1cccc(F)c1[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821872066 599360007 /nfs/dbraw/zinc/36/00/07/599360007.db2.gz IEKLXZZRLZIREO-VIFPVBQESA-N -1 1 378.389 1.449 20 0 GDADMM C[C@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)Oc1cccc(Cl)c1 ZINC000820276465 599362471 /nfs/dbraw/zinc/36/24/71/599362471.db2.gz XALAHMMUQODDGW-SNVBAGLBSA-N -1 1 394.844 1.661 20 0 GDADMM C[C@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)Oc1cccc(Cl)c1 ZINC000820276465 599362473 /nfs/dbraw/zinc/36/24/73/599362473.db2.gz XALAHMMUQODDGW-SNVBAGLBSA-N -1 1 394.844 1.661 20 0 GDADMM Cc1ccc(S(=O)(=O)N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)cc1 ZINC000737370122 599395320 /nfs/dbraw/zinc/39/53/20/599395320.db2.gz NPDMWRYJLZWKOG-UHFFFAOYSA-N -1 1 385.453 1.081 20 0 GDADMM Cc1ccc(S(=O)(=O)N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)cc1 ZINC000737370122 599395322 /nfs/dbraw/zinc/39/53/22/599395322.db2.gz NPDMWRYJLZWKOG-UHFFFAOYSA-N -1 1 385.453 1.081 20 0 GDADMM CCN(CCc1ccccn1)C(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000821213946 599412413 /nfs/dbraw/zinc/41/24/13/599412413.db2.gz GBFVUYJANHLBPK-UHFFFAOYSA-N -1 1 385.453 1.789 20 0 GDADMM O=C(NCCNc1cccc(-c2nnn[n-]2)n1)c1ccc(Br)cc1 ZINC000738078464 599415014 /nfs/dbraw/zinc/41/50/14/599415014.db2.gz QQVUVTORNPMRPF-UHFFFAOYSA-N -1 1 388.229 1.866 20 0 GDADMM O=C(NCCNc1cccc(-c2nn[n-]n2)n1)c1ccc(Br)cc1 ZINC000738078464 599415015 /nfs/dbraw/zinc/41/50/15/599415015.db2.gz QQVUVTORNPMRPF-UHFFFAOYSA-N -1 1 388.229 1.866 20 0 GDADMM CCN(CC)C(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc(-c2nnn[n-]2)o1 ZINC000821170846 599492974 /nfs/dbraw/zinc/49/29/74/599492974.db2.gz XJRKDZCVZBMXDG-CYBMUJFWSA-N -1 1 375.458 1.463 20 0 GDADMM CCN(CC)C(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc(-c2nn[n-]n2)o1 ZINC000821170846 599492975 /nfs/dbraw/zinc/49/29/75/599492975.db2.gz XJRKDZCVZBMXDG-CYBMUJFWSA-N -1 1 375.458 1.463 20 0 GDADMM Cn1cc(N2CCC[C@H](Nc3snc(Cl)c3-c3nnn[n-]3)C2=O)cn1 ZINC000822680405 599585645 /nfs/dbraw/zinc/58/56/45/599585645.db2.gz NXUIPRIYFIQIFU-QMMMGPOBSA-N -1 1 379.837 1.318 20 0 GDADMM Cn1cc(N2CCC[C@H](Nc3snc(Cl)c3-c3nn[n-]n3)C2=O)cn1 ZINC000822680405 599585647 /nfs/dbraw/zinc/58/56/47/599585647.db2.gz NXUIPRIYFIQIFU-QMMMGPOBSA-N -1 1 379.837 1.318 20 0 GDADMM C[C@H]1CSCCN1CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736291949 599591167 /nfs/dbraw/zinc/59/11/67/599591167.db2.gz DZSFUCZWIFGYPR-LBPRGKRZSA-N -1 1 384.469 1.428 20 0 GDADMM Cc1oc(NC(=O)COC(=O)C[C@@](C)(O)C(F)(F)F)c(-c2nn[n-]n2)c1C ZINC000822549237 599653918 /nfs/dbraw/zinc/65/39/18/599653918.db2.gz WOIVHERGISMKTQ-CYBMUJFWSA-N -1 1 391.306 1.262 20 0 GDADMM O=C(CCn1cccc1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000822986992 599696891 /nfs/dbraw/zinc/69/68/91/599696891.db2.gz PRMDQVQLUHEIQC-UHFFFAOYSA-N -1 1 382.428 1.273 20 0 GDADMM CS(=O)(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000392171442 599737315 /nfs/dbraw/zinc/73/73/15/599737315.db2.gz NGCWOAYEJFXKMP-UHFFFAOYSA-N -1 1 394.814 1.804 20 0 GDADMM COc1ccnc(N2CCN(S(=O)(=O)c3ccc(C(=O)[O-])cc3C)CC2)c1 ZINC000738144003 599801243 /nfs/dbraw/zinc/80/12/43/599801243.db2.gz XAWMEPWQFYHSNX-UHFFFAOYSA-N -1 1 391.449 1.608 20 0 GDADMM O=C([O-])Cc1csc(NC(=O)CSc2nc(-c3cccnc3)n[nH]2)n1 ZINC000739898330 599832814 /nfs/dbraw/zinc/83/28/14/599832814.db2.gz QLVGFGCTBPTFAY-UHFFFAOYSA-N -1 1 376.423 1.681 20 0 GDADMM CC[NH+]1CCC(N(C)C(=O)c2ccc(-n3[n-]c(CC(=O)[O-])cc3=O)cc2)CC1 ZINC000737113831 599886704 /nfs/dbraw/zinc/88/67/04/599886704.db2.gz YIAOLFKTEBYCSN-UHFFFAOYSA-N -1 1 386.452 1.349 20 0 GDADMM COc1ccc([C@H](CNC(=O)N[C@H]2CCCN(C(=O)[O-])C2)N(C)C)cc1OC ZINC000737956975 599894113 /nfs/dbraw/zinc/89/41/13/599894113.db2.gz GWPGKRXMYDHWDR-GJZGRUSLSA-N -1 1 394.472 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ZUMAOWNWCWXQSQ-UHFFFAOYSA-N -1 1 377.485 1.525 20 0 GDADMM CC[C@H]1CN(C(=O)NCc2ccc(OC)c(C(=O)[O-])c2)CCN1CCOC ZINC000736936572 600358279 /nfs/dbraw/zinc/35/82/79/600358279.db2.gz AXFABVNRGJLSKN-HNNXBMFYSA-N -1 1 379.457 1.646 20 0 GDADMM CN(CCNC(=O)C(=O)Nc1ccc(CNC(=O)[O-])cc1)Cc1ccccc1 ZINC000737443575 600366473 /nfs/dbraw/zinc/36/64/73/600366473.db2.gz PTOWUNUVIXAGBP-UHFFFAOYSA-N -1 1 384.436 1.641 20 0 GDADMM C[C@H](CN(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C(=O)[O-] ZINC000736570709 600371182 /nfs/dbraw/zinc/37/11/82/600371182.db2.gz FCRLNXGCKPAKFD-SNVBAGLBSA-N -1 1 391.877 1.181 20 0 GDADMM Cc1cc(S(C)(=O)=O)ccc1NS(=O)(=O)c1ccsc1C(=O)[O-] ZINC000738480443 600412655 /nfs/dbraw/zinc/41/26/55/600412655.db2.gz DHQBIFBIQYAULQ-UHFFFAOYSA-N -1 1 375.449 1.959 20 0 GDADMM O=C([O-])/C=C1\SCC(=O)N1CCCN1CCCN(CC(F)(F)F)CC1 ZINC000739628332 600435988 /nfs/dbraw/zinc/43/59/88/600435988.db2.gz ZJXRLAPADKAYPJ-LCYFTJDESA-N -1 1 381.420 1.448 20 0 GDADMM C[C@@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1CCC(C(=O)[O-])CC1 ZINC000262692544 600475207 /nfs/dbraw/zinc/47/52/07/600475207.db2.gz ZRLAFUKTNXIQDR-NSHDSACASA-N -1 1 377.397 1.291 20 0 GDADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000428028323 600492120 /nfs/dbraw/zinc/49/21/20/600492120.db2.gz RZOYBQPZAGASDP-OAHLLOKOSA-N -1 1 379.376 1.432 20 0 GDADMM CCN(CC(=O)Nc1sc(C(=O)[O-])c(C)c1C(=O)OC)C[C@@H]1CCOC1 ZINC000737069762 600508174 /nfs/dbraw/zinc/50/81/74/600508174.db2.gz RMOYRZOBRKJKEN-NSHDSACASA-N -1 1 384.454 1.838 20 0 GDADMM COCCN(CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)CC(F)(F)F ZINC000821689410 607450505 /nfs/dbraw/zinc/45/05/05/607450505.db2.gz ZGJVQPKFXMPJFR-UHFFFAOYSA-N -1 1 376.339 1.526 20 0 GDADMM Cc1oc(NC(=O)CN2CCC[C@@H]2[C@@H](O)C(F)(F)F)c(-c2nn[n-]n2)c1C ZINC000822548384 607451142 /nfs/dbraw/zinc/45/11/42/607451142.db2.gz KEYREUSTFDTNHH-BXKDBHETSA-N -1 1 388.350 1.403 20 0 GDADMM CNC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)c1 ZINC000614830503 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398.343 1.819 20 0 GDADMM CN(CCNS(=O)(=O)c1ccc(C(=O)[O-])cc1Br)C1CC1 ZINC000061995353 600723528 /nfs/dbraw/zinc/72/35/28/600723528.db2.gz JXVVXEKAWXURSW-UHFFFAOYSA-N -1 1 377.260 1.520 20 0 GDADMM Cn1cc(S(=O)(=O)NCC2(N3CCSCC3)CCCC2)cc1C(=O)[O-] ZINC000833053552 600770760 /nfs/dbraw/zinc/77/07/60/600770760.db2.gz WIBQCUIHOCCFDM-UHFFFAOYSA-N -1 1 387.527 1.363 20 0 GDADMM CN(C)CCN(Cc1ccccc1F)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000237154187 600772736 /nfs/dbraw/zinc/77/27/36/600772736.db2.gz MIJBOVQRQDLKRH-UHFFFAOYSA-N -1 1 383.445 1.615 20 0 GDADMM CCCc1nc([C@H]2CN(S(=O)(=O)c3ccc(CC(=O)[O-])cc3)CCO2)n[nH]1 ZINC000829571733 600788446 /nfs/dbraw/zinc/78/84/46/600788446.db2.gz USWUVNYKGVXLFZ-CQSZACIVSA-N -1 1 394.453 1.147 20 0 GDADMM CCCc1n[nH]c([C@H]2CN(S(=O)(=O)c3ccc(CC(=O)[O-])cc3)CCO2)n1 ZINC000829571733 600788448 /nfs/dbraw/zinc/78/84/48/600788448.db2.gz USWUVNYKGVXLFZ-CQSZACIVSA-N -1 1 394.453 1.147 20 0 GDADMM COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)ccc1N1CCCC1=O ZINC000298236776 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-1 1 389.408 1.385 20 0 GDADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000739025926 602460752 /nfs/dbraw/zinc/46/07/52/602460752.db2.gz LKMQACZFBQMZOM-RYUDHWBXSA-N -1 1 387.440 1.576 20 0 GDADMM CN(C[C@@H]1CCN(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)C1)C(=O)[O-] ZINC000739661321 602533062 /nfs/dbraw/zinc/53/30/62/602533062.db2.gz TZVUUMURLRXKJZ-HNNXBMFYSA-N -1 1 394.903 1.920 20 0 GDADMM COc1ccc(CN2CCCN(C(=O)NCC[C@H](C)NC(=O)[O-])CC2)cc1 ZINC000739905478 602557892 /nfs/dbraw/zinc/55/78/92/602557892.db2.gz JWDTUEIUMBCBCG-HNNXBMFYSA-N -1 1 378.473 1.959 20 0 GDADMM Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNC[C@H]1CCCN1C(=O)[O-] ZINC000740254941 602594480 /nfs/dbraw/zinc/59/44/80/602594480.db2.gz UIBXXOKHWCDPKX-VXGBXAGGSA-N -1 1 390.893 1.437 20 0 GDADMM NC(=O)c1ccccc1OS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826393954 607576195 /nfs/dbraw/zinc/57/61/95/607576195.db2.gz QQYNZCUMUBAERL-UHFFFAOYSA-N -1 1 379.785 1.387 20 0 GDADMM COc1ccnc(N2CCN(C(=O)NC[C@H]3CCCCN3C(=O)[O-])CC2)c1 ZINC000739986034 602624858 /nfs/dbraw/zinc/62/48/58/602624858.db2.gz QAYDSDBJOONGFP-CQSZACIVSA-N -1 1 377.445 1.454 20 0 GDADMM COc1ccc(-c2n[nH]c(CNC(=O)NC[C@H]3CCCN(C(=O)[O-])C3)n2)cc1 ZINC000739878967 602625862 /nfs/dbraw/zinc/62/58/62/602625862.db2.gz IVYTWXVJTQYGER-GFCCVEGCSA-N -1 1 388.428 1.670 20 0 GDADMM COc1ccc(-c2nc(CNC(=O)NC[C@H]3CCCN(C(=O)[O-])C3)n[nH]2)cc1 ZINC000739878967 602625863 /nfs/dbraw/zinc/62/58/63/602625863.db2.gz IVYTWXVJTQYGER-GFCCVEGCSA-N -1 1 388.428 1.670 20 0 GDADMM CC(=O)Nc1cccc(OS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000824005351 607576723 /nfs/dbraw/zinc/57/67/23/607576723.db2.gz OOUSEXOZTPFRKW-UHFFFAOYSA-N -1 1 377.357 1.732 20 0 GDADMM CC(=O)Nc1cccc(OS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000824005351 607576724 /nfs/dbraw/zinc/57/67/24/607576724.db2.gz OOUSEXOZTPFRKW-UHFFFAOYSA-N -1 1 377.357 1.732 20 0 GDADMM C[C@H](CNC(=O)[O-])N(C)C(=O)N[C@@H](CN1CCN(C)CC1)c1ccccc1 ZINC000738931505 602628199 /nfs/dbraw/zinc/62/81/99/602628199.db2.gz RXYYCBLPOOIVSN-WBVHZDCISA-N -1 1 377.489 1.273 20 0 GDADMM CN(CCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000825941455 607580287 /nfs/dbraw/zinc/58/02/87/607580287.db2.gz IYCFJBQRSHMCKH-UHFFFAOYSA-N -1 1 376.417 1.421 20 0 GDADMM CN(CCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000825941455 607580289 /nfs/dbraw/zinc/58/02/89/607580289.db2.gz IYCFJBQRSHMCKH-UHFFFAOYSA-N -1 1 376.417 1.421 20 0 GDADMM O=S(=O)(NCCOc1ccccc1F)c1cccc(F)c1-c1nnn[n-]1 ZINC000826491694 607577830 /nfs/dbraw/zinc/57/78/30/607577830.db2.gz WNGRVZVOWNZWSH-UHFFFAOYSA-N -1 1 381.364 1.502 20 0 GDADMM O=S(=O)(NCCOc1ccccc1F)c1cccc(F)c1-c1nn[n-]n1 ZINC000826491694 607577831 /nfs/dbraw/zinc/57/78/31/607577831.db2.gz WNGRVZVOWNZWSH-UHFFFAOYSA-N -1 1 381.364 1.502 20 0 GDADMM C[C@@H](NC(=O)c1ccnc(N2CCN(C)CC2)c1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739029806 602710553 /nfs/dbraw/zinc/71/05/53/602710553.db2.gz XTSXRLZUAJHADG-GDBMZVCRSA-N -1 1 375.473 1.342 20 0 GDADMM COC(=O)C1(NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCCCC1 ZINC000826123494 607581786 /nfs/dbraw/zinc/58/17/86/607581786.db2.gz FGSHSCVQLRDNGW-UHFFFAOYSA-N -1 1 383.405 1.160 20 0 GDADMM COc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)cn1 ZINC000826203229 607582259 /nfs/dbraw/zinc/58/22/59/607582259.db2.gz FNGORHKXWHTKJB-UHFFFAOYSA-N -1 1 380.817 1.402 20 0 GDADMM COc1cc(CNS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)ccn1 ZINC000826179548 607582390 /nfs/dbraw/zinc/58/23/90/607582390.db2.gz SRXFRHNCSVEFDM-UHFFFAOYSA-N -1 1 380.817 1.402 20 0 GDADMM COc1ccc(CNC(=O)[C@H](C)N2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)cc1OC ZINC000739906163 602765195 /nfs/dbraw/zinc/76/51/95/602765195.db2.gz LEGXQXNPZFPKBM-KCQAQPDRSA-N -1 1 379.457 1.687 20 0 GDADMM C[C@@H]1CN(CC(=O)N2CCN(Cc3ccsc3)CC2)CC[C@H]1NC(=O)[O-] ZINC000739176647 602772163 /nfs/dbraw/zinc/77/21/63/602772163.db2.gz UNOAUEISAHTECF-GDBMZVCRSA-N -1 1 380.514 1.370 20 0 GDADMM COc1ccc(CN(C)C(=O)CN2CC[C@H](NC(=O)[O-])[C@H](C)C2)cc1OC ZINC000739906479 602772484 /nfs/dbraw/zinc/77/24/84/602772484.db2.gz AUQRJKBCUOLSKO-HIFRSBDPSA-N -1 1 379.457 1.640 20 0 GDADMM NC(=O)c1cccc(OS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000826393939 607585947 /nfs/dbraw/zinc/58/59/47/607585947.db2.gz QBHVHXVVUOZWEI-UHFFFAOYSA-N -1 1 379.785 1.387 20 0 GDADMM NC(=O)c1cccc(OS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000826393939 607585948 /nfs/dbraw/zinc/58/59/48/607585948.db2.gz QBHVHXVVUOZWEI-UHFFFAOYSA-N -1 1 379.785 1.387 20 0 GDADMM CCOC(=O)CN(CC(C)C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825512148 607587070 /nfs/dbraw/zinc/58/70/70/607587070.db2.gz VXYBNMDRLUGVTB-UHFFFAOYSA-N -1 1 385.421 1.216 20 0 GDADMM CCOC(=O)CN(CC(C)C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825512148 607587071 /nfs/dbraw/zinc/58/70/71/607587071.db2.gz VXYBNMDRLUGVTB-UHFFFAOYSA-N -1 1 385.421 1.216 20 0 GDADMM O=S(=O)(N[C@H]1COc2ccccc2C1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826489718 607587610 /nfs/dbraw/zinc/58/76/10/607587610.db2.gz XTXBKXAEAZGYIW-LLVKDONJSA-N -1 1 391.840 1.802 20 0 GDADMM O=S(=O)(N[C@H]1COc2ccccc2C1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826489718 607587611 /nfs/dbraw/zinc/58/76/11/607587611.db2.gz XTXBKXAEAZGYIW-LLVKDONJSA-N -1 1 391.840 1.802 20 0 GDADMM O=S(=O)(NCc1ccc(-n2cccn2)cc1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826491957 607588178 /nfs/dbraw/zinc/58/81/78/607588178.db2.gz LXXMSMZRQXAXKJ-UHFFFAOYSA-N -1 1 399.411 1.670 20 0 GDADMM O=S(=O)(NCc1ccc(-n2cccn2)cc1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826491957 607588179 /nfs/dbraw/zinc/58/81/79/607588179.db2.gz LXXMSMZRQXAXKJ-UHFFFAOYSA-N -1 1 399.411 1.670 20 0 GDADMM O=C([O-])N1CCc2ccc(NC(=O)N3CCN([C@@H]4CCC[C@@H]4O)CC3)cc2C1 ZINC000740529297 602826475 /nfs/dbraw/zinc/82/64/75/602826475.db2.gz FLGRPMQSQIXJNP-MSOLQXFVSA-N -1 1 388.468 1.786 20 0 GDADMM O=C([O-])N1CCc2c(cccc2NC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000740529531 602826668 /nfs/dbraw/zinc/82/66/68/602826668.db2.gz LWSXAJVCRNIXTN-MSOLQXFVSA-N -1 1 388.468 1.786 20 0 GDADMM COc1ccccc1[C@H](CNC(=O)[C@H]1COCCN1C(=O)[O-])N1CCCC1 ZINC000739958891 602826893 /nfs/dbraw/zinc/82/68/93/602826893.db2.gz MSVUGUIHSSORGG-JKSUJKDBSA-N -1 1 377.441 1.327 20 0 GDADMM COc1ccc(CCCNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000826192485 607594450 /nfs/dbraw/zinc/59/44/50/607594450.db2.gz PHVBYRTUIYIQFM-UHFFFAOYSA-N -1 1 391.428 1.926 20 0 GDADMM C[C@H]1CN(C(=O)CCn2c(=O)c3ccccc3[nH]c2=S)CCN1C(=O)[O-] ZINC000739122138 602934338 /nfs/dbraw/zinc/93/43/38/602934338.db2.gz DJWLDLYFAPHJCQ-NSHDSACASA-N -1 1 376.438 1.286 20 0 GDADMM Cn1c(=O)c2ccc(C(=O)N[C@H]3CCCC[C@@H]3CNC(=O)[O-])cc2[nH]c1=S ZINC000740283918 602990362 /nfs/dbraw/zinc/99/03/62/602990362.db2.gz VWQQPLQFJHOHIZ-YPMHNXCESA-N -1 1 390.465 1.778 20 0 GDADMM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000740406037 603070255 /nfs/dbraw/zinc/07/02/55/603070255.db2.gz OHHIPRKBTHKKER-BZUAXINKSA-N -1 1 381.860 1.706 20 0 GDADMM CSCC[C@H](NC(=O)[O-])C(=O)N1CCO[C@@H](c2nc(C(C)(C)C)n[nH]2)C1 ZINC000829730974 603079168 /nfs/dbraw/zinc/07/91/68/603079168.db2.gz PLYSXXBYKZBRHR-WDEREUQCSA-N -1 1 385.490 1.391 20 0 GDADMM CSCC[C@H](NC(=O)[O-])C(=O)N1CCO[C@@H](c2nnc(C(C)(C)C)[nH]2)C1 ZINC000829730974 603079173 /nfs/dbraw/zinc/07/91/73/603079173.db2.gz PLYSXXBYKZBRHR-WDEREUQCSA-N -1 1 385.490 1.391 20 0 GDADMM O=S(=O)(NCCOCC1CC1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826491333 607612007 /nfs/dbraw/zinc/61/20/07/607612007.db2.gz DJZKORBRFNZOQY-UHFFFAOYSA-N -1 1 391.375 1.590 20 0 GDADMM C[C@]1(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CCOC1 ZINC000824823050 607614844 /nfs/dbraw/zinc/61/48/44/607614844.db2.gz KEVXDLBCFWDPBA-CYBMUJFWSA-N -1 1 391.375 1.590 20 0 GDADMM Cc1nc(CN2CCN(C(=O)[C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)[O-])CC2)n[nH]1 ZINC000740217694 603226871 /nfs/dbraw/zinc/22/68/71/603226871.db2.gz ANJNTKDMXTVGDL-KFWWJZLASA-N -1 1 376.461 1.068 20 0 GDADMM Cc1nc(CN2CCN(C(=O)CC[C@H](NC(=O)[O-])c3ccccc3)CC2)n[nH]1 ZINC000740218519 603226914 /nfs/dbraw/zinc/22/69/14/603226914.db2.gz IPQWMZIVWMUSMX-INIZCTEOSA-N -1 1 386.456 1.546 20 0 GDADMM CCN1CCN(c2ccc(CNC(=O)[C@H]3CCC[C@H](NC(=O)[O-])C3)cn2)CC1 ZINC000739462250 603241612 /nfs/dbraw/zinc/24/16/12/603241612.db2.gz XBABRQYKZDVADA-IRXDYDNUSA-N -1 1 389.500 1.666 20 0 GDADMM O=C([O-])N1CCC[C@@H](NC(=O)NCCCN2CCN(c3ccccc3)CC2)C1 ZINC000739416665 603253009 /nfs/dbraw/zinc/25/30/09/603253009.db2.gz LSUNGSAXLSGUCN-QGZVFWFLSA-N -1 1 389.500 1.640 20 0 GDADMM COc1cc(CN(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)ccc1O ZINC000826179383 607622476 /nfs/dbraw/zinc/62/24/76/607622476.db2.gz MLGNLCKEHRVYNT-UHFFFAOYSA-N -1 1 393.400 1.541 20 0 GDADMM CCN(Cc1ccccc1NC(=O)N[C@@H](C)CN1CCN(C)CC1)C(=O)[O-] ZINC000739447818 603355228 /nfs/dbraw/zinc/35/52/28/603355228.db2.gz PTMIYDJFVBQRTJ-HNNXBMFYSA-N -1 1 377.489 1.944 20 0 GDADMM C[C@H]1CN(CCCNC(=O)C(=O)Nc2ccc(NC(=O)[O-])cc2)C[C@H](C)O1 ZINC000739181653 603383848 /nfs/dbraw/zinc/38/38/48/603383848.db2.gz KOPJDPJIVHARJX-STQMWFEESA-N -1 1 378.429 1.331 20 0 GDADMM Cc1ccc([C@H](O)CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000826284063 607626835 /nfs/dbraw/zinc/62/68/35/607626835.db2.gz IXZDJRQOCZKPKQ-CQSZACIVSA-N -1 1 377.401 1.326 20 0 GDADMM C[C@@H](O)c1ccc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)cc1 ZINC000824706832 607627633 /nfs/dbraw/zinc/62/76/33/607627633.db2.gz KAEBHVBHNACIHO-SECBINFHSA-N -1 1 395.391 1.677 20 0 GDADMM C[C@H](O)c1ccc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000824707300 607627984 /nfs/dbraw/zinc/62/79/84/607627984.db2.gz PNWXCLRSGFJKSR-JTQLQIEISA-N -1 1 377.401 1.538 20 0 GDADMM COc1ccc(CN2CCCN(C(=O)NCC(C)(C)NC(=O)[O-])CC2)cc1 ZINC000829361084 603457113 /nfs/dbraw/zinc/45/71/13/603457113.db2.gz ACXZPDBBWYSUDM-UHFFFAOYSA-N -1 1 378.473 1.959 20 0 GDADMM CC[C@H](O)[C@@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825153578 607633317 /nfs/dbraw/zinc/63/33/17/607633317.db2.gz IMPQUCSZRQJOPB-RYUDHWBXSA-N -1 1 385.877 1.834 20 0 GDADMM CC[C@H](O)[C@@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825153578 607633318 /nfs/dbraw/zinc/63/33/18/607633318.db2.gz IMPQUCSZRQJOPB-RYUDHWBXSA-N -1 1 385.877 1.834 20 0 GDADMM CCC[C@@](C)(O)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825233597 607635862 /nfs/dbraw/zinc/63/58/62/607635862.db2.gz RGROZWHESKFMLV-CYBMUJFWSA-N -1 1 393.391 1.715 20 0 GDADMM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000826115289 603555641 /nfs/dbraw/zinc/55/56/41/603555641.db2.gz DPTNQIRTFAPGMW-CJNGLKHVSA-N -1 1 376.457 1.880 20 0 GDADMM C[C@@H](c1ccccc1)[C@@H](CO)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824770834 607637077 /nfs/dbraw/zinc/63/70/77/607637077.db2.gz MZRHSBUINKOLQR-SMDDNHRTSA-N -1 1 391.428 1.449 20 0 GDADMM C[C@@H](c1ccccc1)[C@@H](CO)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824770834 607637078 /nfs/dbraw/zinc/63/70/78/607637078.db2.gz MZRHSBUINKOLQR-SMDDNHRTSA-N -1 1 391.428 1.449 20 0 GDADMM O=S(=O)(N[C@@H](CO)c1cccc(F)c1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826487514 607639336 /nfs/dbraw/zinc/63/93/36/607639336.db2.gz QMNJIIQTSKDRJU-LBPRGKRZSA-N -1 1 397.819 1.671 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N(CCO)CCc1ccccc1 ZINC000826496111 607639066 /nfs/dbraw/zinc/63/90/66/607639066.db2.gz LFTDXHYUAJCXIT-UHFFFAOYSA-N -1 1 391.428 1.232 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N(CCO)CCc1ccccc1 ZINC000826496111 607639070 /nfs/dbraw/zinc/63/90/70/607639070.db2.gz LFTDXHYUAJCXIT-UHFFFAOYSA-N -1 1 391.428 1.232 20 0 GDADMM O=S(=O)(N[C@@H](CO)c1cccc(F)c1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826487514 607639338 /nfs/dbraw/zinc/63/93/38/607639338.db2.gz QMNJIIQTSKDRJU-LBPRGKRZSA-N -1 1 397.819 1.671 20 0 GDADMM COc1ccccc1[C@H](CO)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826218712 607639856 /nfs/dbraw/zinc/63/98/56/607639856.db2.gz JDLLLRWWYKCWCT-ZDUSSCGKSA-N -1 1 393.400 1.026 20 0 GDADMM O=C([O-])NC[C@@H]1CCCN1C(=O)NCC1(CN2CCOCC2)CCCCC1 ZINC000832551454 603672929 /nfs/dbraw/zinc/67/29/29/603672929.db2.gz NSOFWXICHQQBRB-INIZCTEOSA-N -1 1 382.505 1.711 20 0 GDADMM CN(C)C[C@@H](NC(=O)C(=O)Nc1cccc(CNC(=O)[O-])c1)c1ccccc1 ZINC000828017634 603687982 /nfs/dbraw/zinc/68/79/82/603687982.db2.gz SAMBIWZQSHLBQW-QGZVFWFLSA-N -1 1 384.436 1.812 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccc3c(c2)[nH]c(=S)n(C)c3=O)[C@@H]1CNC(=O)[O-] ZINC000825918584 603692869 /nfs/dbraw/zinc/69/28/69/603692869.db2.gz GHQNHKLCHURDHT-QMTHXVAHSA-N -1 1 390.465 1.731 20 0 GDADMM CC1(C)[C@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)[C@@H]2CCCO[C@@H]21 ZINC000824791000 607646634 /nfs/dbraw/zinc/64/66/34/607646634.db2.gz VCDZAPLBWNIIPV-GDLCADMTSA-N -1 1 381.433 1.488 20 0 GDADMM CCN(Cc1cccc(NC(=O)C(=O)N2CC[C@@H](N3CC=CC3)C2)c1)C(=O)[O-] ZINC000827162533 603735858 /nfs/dbraw/zinc/73/58/58/603735858.db2.gz XLVNOIOPYMAFNN-QGZVFWFLSA-N -1 1 386.452 1.598 20 0 GDADMM Cc1nn(C)c(C)c1C[C@H](C)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826333889 607649303 /nfs/dbraw/zinc/64/93/03/607649303.db2.gz YRDWJRJKUNYQHM-VIFPVBQESA-N -1 1 393.448 1.266 20 0 GDADMM Cc1nn(C)c(C)c1C[C@H](C)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826333889 607649304 /nfs/dbraw/zinc/64/93/04/607649304.db2.gz YRDWJRJKUNYQHM-VIFPVBQESA-N -1 1 393.448 1.266 20 0 GDADMM Cc1nc([C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)no1 ZINC000826325105 607652963 /nfs/dbraw/zinc/65/29/63/607652963.db2.gz NQFMIBLYOMJHKM-NSHDSACASA-N -1 1 395.832 1.737 20 0 GDADMM CCC(CC)(NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)C(=O)OC ZINC000825097162 607654414 /nfs/dbraw/zinc/65/44/14/607654414.db2.gz ULGCVANHGXMSKP-UHFFFAOYSA-N -1 1 387.849 1.530 20 0 GDADMM CCC(CC)(NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)C(=O)OC ZINC000825097162 607654415 /nfs/dbraw/zinc/65/44/15/607654415.db2.gz ULGCVANHGXMSKP-UHFFFAOYSA-N -1 1 387.849 1.530 20 0 GDADMM O=S(=O)(NCC[C@H](O)c1ccccc1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826490671 607655044 /nfs/dbraw/zinc/65/50/44/607655044.db2.gz CTQVOQHWLXWVRN-AWEZNQCLSA-N -1 1 377.401 1.408 20 0 GDADMM CS(=O)(=O)CCCC(=O)Nc1ccc(-c2nc(CNC(=O)[O-])n[nH]2)cc1 ZINC000829669830 603911429 /nfs/dbraw/zinc/91/14/29/603911429.db2.gz QNFRUXLDRHLGKG-UHFFFAOYSA-N -1 1 381.414 1.003 20 0 GDADMM CS(=O)(=O)CCCC(=O)Nc1ccc(-c2n[nH]c(CNC(=O)[O-])n2)cc1 ZINC000829669830 603911430 /nfs/dbraw/zinc/91/14/30/603911430.db2.gz QNFRUXLDRHLGKG-UHFFFAOYSA-N -1 1 381.414 1.003 20 0 GDADMM CCOC(=O)[C@@H](CC1CC1)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825485843 607660453 /nfs/dbraw/zinc/66/04/53/607660453.db2.gz KBPUTLJYXYKMSN-GFCCVEGCSA-N -1 1 383.405 1.016 20 0 GDADMM C[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)C(=O)OC1CCCC1 ZINC000826232210 607660782 /nfs/dbraw/zinc/66/07/82/607660782.db2.gz CFXLNBJDQTXEIK-VIFPVBQESA-N -1 1 383.405 1.158 20 0 GDADMM Cc1cccc(N2CCN(CCCNC(=O)NCC(C)(C)NC(=O)[O-])CC2)c1 ZINC000830511254 603995035 /nfs/dbraw/zinc/99/50/35/603995035.db2.gz FVMKVRFEGFSCER-UHFFFAOYSA-N -1 1 391.516 1.853 20 0 GDADMM C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc3c2CCN(C(=O)[O-])C3)CN1C1CC1 ZINC000825790994 604042495 /nfs/dbraw/zinc/04/24/95/604042495.db2.gz ZHKHPAAUBWEQLC-JSGCOSHPSA-N -1 1 386.452 1.403 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000826495822 607668341 /nfs/dbraw/zinc/66/83/41/607668341.db2.gz CSFCLVAMMKMPLQ-SNVBAGLBSA-N -1 1 377.405 1.297 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000826495822 607668343 /nfs/dbraw/zinc/66/83/43/607668343.db2.gz CSFCLVAMMKMPLQ-SNVBAGLBSA-N -1 1 377.405 1.297 20 0 GDADMM Cc1ccc(NC(=O)[O-])c(OCC(=O)NC[C@H]2CN(CC(C)C)CCO2)c1 ZINC000830390290 604050814 /nfs/dbraw/zinc/05/08/14/604050814.db2.gz KRHRHIZGKSYWFH-HNNXBMFYSA-N -1 1 379.457 1.937 20 0 GDADMM O=S(=O)(NCCOc1ccc(Cl)cn1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826491615 607672886 /nfs/dbraw/zinc/67/28/86/607672886.db2.gz RWGUVFYQYXLVJV-UHFFFAOYSA-N -1 1 398.807 1.412 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N(CCCO)Cc1ccccc1 ZINC000826496020 607675791 /nfs/dbraw/zinc/67/57/91/607675791.db2.gz IUQCBQFHTXKYJS-UHFFFAOYSA-N -1 1 391.428 1.579 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N(CCCO)Cc1ccccc1 ZINC000826496020 607675793 /nfs/dbraw/zinc/67/57/93/607675793.db2.gz IUQCBQFHTXKYJS-UHFFFAOYSA-N -1 1 391.428 1.579 20 0 GDADMM CNC(=O)c1cccc(NC(=O)[C@H](C)N2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)c1 ZINC000828566399 604229143 /nfs/dbraw/zinc/22/91/43/604229143.db2.gz IXLWFOSORQEOCT-IPYPFGDCSA-N -1 1 376.457 1.741 20 0 GDADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(CC(=O)NCCCN2CCCCCC2=O)C1 ZINC000825256176 604231179 /nfs/dbraw/zinc/23/11/79/604231179.db2.gz UZIMACSMPNGLSB-JKSUJKDBSA-N -1 1 382.505 1.263 20 0 GDADMM COc1ccc([C@@H](CNC(=O)N2CC[C@@H](NC(=O)[O-])C2)N2CCCC2)cc1 ZINC000739895965 604286904 /nfs/dbraw/zinc/28/69/04/604286904.db2.gz XFIVEQYAPVAOLX-NVXWUHKLSA-N -1 1 376.457 1.884 20 0 GDADMM CC(=O)N1CCCN([C@H]2CN(C(=O)CCN(C(=O)[O-])C(C)C)C[C@H]2C)CC1 ZINC000823556575 604312558 /nfs/dbraw/zinc/31/25/58/604312558.db2.gz ONAJUOIORVKMCA-WBVHZDCISA-N -1 1 382.505 1.166 20 0 GDADMM CCc1nc([C@H]2CN(C(=O)Nc3ccc(OCCC(=O)[O-])cc3)CCO2)n[nH]1 ZINC000830304750 604330415 /nfs/dbraw/zinc/33/04/15/604330415.db2.gz ZAVLNFUWXOTHIJ-CQSZACIVSA-N -1 1 389.412 1.826 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CC(c2nc3ccccc3s2)C1 ZINC000826494964 607690057 /nfs/dbraw/zinc/69/00/57/607690057.db2.gz WYNYKTUPVBJAEG-UHFFFAOYSA-N -1 1 399.461 1.660 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CC(c2nc3ccccc3s2)C1 ZINC000826494964 607690058 /nfs/dbraw/zinc/69/00/58/607690058.db2.gz WYNYKTUPVBJAEG-UHFFFAOYSA-N -1 1 399.461 1.660 20 0 GDADMM C[C@@H](CN1CCN(C)CC1)NC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000827461333 604493696 /nfs/dbraw/zinc/49/36/96/604493696.db2.gz UJIDTQQUCGOLNT-RDJZCZTQSA-N -1 1 376.501 1.774 20 0 GDADMM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)NCCN(C)Cc2ccc(F)cc2)CCO1 ZINC000825319028 604559523 /nfs/dbraw/zinc/55/95/23/604559523.db2.gz RKNWLFSHHURDRA-CZUORRHYSA-N -1 1 382.436 1.324 20 0 GDADMM CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N3CC[C@@H](NC(=O)[O-])C3)c2C1 ZINC000738766874 604570878 /nfs/dbraw/zinc/57/08/78/604570878.db2.gz NUTJPFHDMGWOBP-DZGCQCFKSA-N -1 1 388.468 1.854 20 0 GDADMM C[C@H](NC(=O)[O-])c1ccc(CNC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000825384064 604618473 /nfs/dbraw/zinc/61/84/73/604618473.db2.gz YNDRDSCAKQQGGD-BMGDILEWSA-N -1 1 390.484 1.756 20 0 GDADMM COc1cc(OC)cc(S(=O)(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)c1 ZINC000484566591 604632047 /nfs/dbraw/zinc/63/20/47/604632047.db2.gz UAONXKXCCCPGIQ-UHFFFAOYSA-N -1 1 394.405 1.319 20 0 GDADMM COc1cc(-c2noc(CN3C[C@H](C)[C@H](C(=O)[O-])C3)n2)cc(OC)c1OC ZINC000831856392 604675074 /nfs/dbraw/zinc/67/50/74/604675074.db2.gz CYNSXXWFKTVMIY-CMPLNLGQSA-N -1 1 377.397 1.915 20 0 GDADMM COc1cc(-c2noc(CN3C[C@@H](C)[C@H](C(=O)[O-])C3)n2)cc(OC)c1OC ZINC000831856398 604675476 /nfs/dbraw/zinc/67/54/76/604675476.db2.gz CYNSXXWFKTVMIY-ZYHUDNBSSA-N -1 1 377.397 1.915 20 0 GDADMM COc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])nc2)ccc1N1CCCC1=O ZINC000833729263 604686564 /nfs/dbraw/zinc/68/65/64/604686564.db2.gz IAPUBWAGKDKGAX-UHFFFAOYSA-N -1 1 391.405 1.716 20 0 GDADMM C[C@@H](NCC(=O)N1CCN(C(=O)[O-])CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000825486311 604769832 /nfs/dbraw/zinc/76/98/32/604769832.db2.gz WHPOCZGGQZWVGX-CYBMUJFWSA-N -1 1 389.456 1.443 20 0 GDADMM CC(C)N1CCO[C@@H](CN2CCN(C(=O)c3ccc(C(=O)[O-])c(F)c3)CC2)C1 ZINC000826972122 604819018 /nfs/dbraw/zinc/81/90/18/604819018.db2.gz XVJKMNHTOIVMTP-INIZCTEOSA-N -1 1 393.459 1.391 20 0 GDADMM O=C([O-])COc1ccc(NC(=O)C(=O)N[C@H]2CCN(C3CC3)C2)cc1Cl ZINC000833254866 604827663 /nfs/dbraw/zinc/82/76/63/604827663.db2.gz WLBGFNZMZXVYMS-NSHDSACASA-N -1 1 381.816 1.095 20 0 GDADMM Cc1ccc(NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3nc(C)ccc32)c(F)c1 ZINC000826290985 607717723 /nfs/dbraw/zinc/71/77/23/607717723.db2.gz KAJMXUYTFHBSIL-UHFFFAOYSA-N -1 1 393.382 1.971 20 0 GDADMM COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)NC3)c(OC)c1C(=O)[O-] ZINC000833734563 604862106 /nfs/dbraw/zinc/86/21/06/604862106.db2.gz MYZCDXRADFIXKT-UHFFFAOYSA-N -1 1 392.389 1.446 20 0 GDADMM O=C([O-])c1cncc(NS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c1 ZINC000833339768 604890180 /nfs/dbraw/zinc/89/01/80/604890180.db2.gz NFSMURSLFVNKJZ-UHFFFAOYSA-N -1 1 397.434 1.021 20 0 GDADMM Cn1cc(NC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)cc1C(=O)[O-] ZINC000833051121 604962139 /nfs/dbraw/zinc/96/21/39/604962139.db2.gz OFGLIOZFUNBTSW-DOTOQJQBSA-N -1 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O=C(CNC(=O)c1ccc(-c2nnn[n-]2)s1)Nc1ccc(F)c(F)c1F ZINC000823005221 606492189 /nfs/dbraw/zinc/49/21/89/606492189.db2.gz HRLIBZQHENNDIL-UHFFFAOYSA-N -1 1 382.327 1.714 20 0 GDADMM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)s1)Nc1ccc(F)c(F)c1F ZINC000823005221 606492190 /nfs/dbraw/zinc/49/21/90/606492190.db2.gz HRLIBZQHENNDIL-UHFFFAOYSA-N -1 1 382.327 1.714 20 0 GDADMM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000822209720 606498303 /nfs/dbraw/zinc/49/83/03/606498303.db2.gz TZPQLUZVKUJVSX-SECBINFHSA-N -1 1 393.454 1.045 20 0 GDADMM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000822209720 606498305 /nfs/dbraw/zinc/49/83/05/606498305.db2.gz TZPQLUZVKUJVSX-SECBINFHSA-N -1 1 393.454 1.045 20 0 GDADMM O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823323608 606502315 /nfs/dbraw/zinc/50/23/15/606502315.db2.gz WDBLIIMJJQGUAW-UHFFFAOYSA-N -1 1 382.405 1.830 20 0 GDADMM O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823323608 606502316 /nfs/dbraw/zinc/50/23/16/606502316.db2.gz WDBLIIMJJQGUAW-UHFFFAOYSA-N -1 1 382.405 1.830 20 0 GDADMM CCc1ccccc1N1C[C@H](C(=O)OCc2ccnc(-c3nnn[n-]3)c2)CC1=O ZINC000821496930 606518770 /nfs/dbraw/zinc/51/87/70/606518770.db2.gz LKZHGCGDBLWFBE-OAHLLOKOSA-N -1 1 392.419 1.920 20 0 GDADMM CCc1ccccc1N1C[C@H](C(=O)OCc2ccnc(-c3nn[n-]n3)c2)CC1=O ZINC000821496930 606518771 /nfs/dbraw/zinc/51/87/71/606518771.db2.gz LKZHGCGDBLWFBE-OAHLLOKOSA-N -1 1 392.419 1.920 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCCN(C(=O)c2ccccc2)CC1 ZINC000823492996 606524328 /nfs/dbraw/zinc/52/43/28/606524328.db2.gz CSEHCKQFMMSECD-UHFFFAOYSA-N -1 1 382.449 1.917 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCCN(C(=O)c2ccccc2)CC1 ZINC000823492996 606524330 /nfs/dbraw/zinc/52/43/30/606524330.db2.gz CSEHCKQFMMSECD-UHFFFAOYSA-N -1 1 382.449 1.917 20 0 GDADMM O=C(NCC(F)(F)F)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000823160739 606525334 /nfs/dbraw/zinc/52/53/34/606525334.db2.gz HIQPKRJRBTTYIQ-UHFFFAOYSA-N -1 1 388.375 1.459 20 0 GDADMM O=C(NCC(F)(F)F)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000823160739 606525335 /nfs/dbraw/zinc/52/53/35/606525335.db2.gz HIQPKRJRBTTYIQ-UHFFFAOYSA-N -1 1 388.375 1.459 20 0 GDADMM O=C(NCc1cccc(C(=O)N2CCOCC2)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823257199 606535783 /nfs/dbraw/zinc/53/57/83/606535783.db2.gz DKPYFVFBFGOCBL-UHFFFAOYSA-N -1 1 398.448 1.331 20 0 GDADMM O=C(NCc1cccc(C(=O)N2CCOCC2)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823257199 606535785 /nfs/dbraw/zinc/53/57/85/606535785.db2.gz DKPYFVFBFGOCBL-UHFFFAOYSA-N -1 1 398.448 1.331 20 0 GDADMM O=C(NCCCCN1C(=O)c2ccccc2C1=O)c1ccc(-c2nnn[n-]2)s1 ZINC000823187753 606559107 /nfs/dbraw/zinc/55/91/07/606559107.db2.gz QJWVIKGAVOZNND-UHFFFAOYSA-N -1 1 396.432 1.734 20 0 GDADMM O=C(NCCCCN1C(=O)c2ccccc2C1=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823187753 606559108 /nfs/dbraw/zinc/55/91/08/606559108.db2.gz QJWVIKGAVOZNND-UHFFFAOYSA-N -1 1 396.432 1.734 20 0 GDADMM CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000819899556 606559791 /nfs/dbraw/zinc/55/97/91/606559791.db2.gz WVTVWOQDAFSFHR-NSHDSACASA-N -1 1 376.486 1.943 20 0 GDADMM CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000819899556 606559792 /nfs/dbraw/zinc/55/97/92/606559792.db2.gz WVTVWOQDAFSFHR-NSHDSACASA-N -1 1 376.486 1.943 20 0 GDADMM CC(C)(C)OC(=O)NC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC000819939426 606570264 /nfs/dbraw/zinc/57/02/64/606570264.db2.gz BNWKSDZWMYIAGM-JTQLQIEISA-N -1 1 378.458 1.961 20 0 GDADMM CC(C)(C)OC(=O)NC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC000819939426 606570266 /nfs/dbraw/zinc/57/02/66/606570266.db2.gz BNWKSDZWMYIAGM-JTQLQIEISA-N -1 1 378.458 1.961 20 0 GDADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1nc(C2CCCCC2)no1 ZINC000820380032 606578730 /nfs/dbraw/zinc/57/87/30/606578730.db2.gz JYDUBLJOMFQBGE-SECBINFHSA-N -1 1 386.420 1.914 20 0 GDADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1nc(C2CCCCC2)no1 ZINC000820380032 606578731 /nfs/dbraw/zinc/57/87/31/606578731.db2.gz JYDUBLJOMFQBGE-SECBINFHSA-N -1 1 386.420 1.914 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@@H](C)C(=O)OC2CCCC2)cc1-c1nn[n-]n1 ZINC000821979100 606585398 /nfs/dbraw/zinc/58/53/98/606585398.db2.gz PKIWIRKVBQFCAK-QMMMGPOBSA-N -1 1 392.441 1.293 20 0 GDADMM COc1ccc(OC)c([C@@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821843028 606590686 /nfs/dbraw/zinc/59/06/86/606590686.db2.gz XTTHDDIWAVHUHC-NSHDSACASA-N -1 1 375.410 1.409 20 0 GDADMM COc1ccc(OC)c([C@@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821843028 606590689 /nfs/dbraw/zinc/59/06/89/606590689.db2.gz XTTHDDIWAVHUHC-NSHDSACASA-N -1 1 375.410 1.409 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(Nc2ccc(CCC(F)(F)F)cc2)n(C)c1=O ZINC000822599321 606610079 /nfs/dbraw/zinc/61/00/79/606610079.db2.gz DBFRWRNCLANOPF-UHFFFAOYSA-N -1 1 395.345 1.503 20 0 GDADMM O=C(CN1c2ccccc2OCCC1=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822991416 606647729 /nfs/dbraw/zinc/64/77/29/606647729.db2.gz BVLFEKGOQJQCQY-UHFFFAOYSA-N -1 1 380.364 1.121 20 0 GDADMM O=C(CN1c2ccccc2OCCC1=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822991416 606647730 /nfs/dbraw/zinc/64/77/30/606647730.db2.gz BVLFEKGOQJQCQY-UHFFFAOYSA-N -1 1 380.364 1.121 20 0 GDADMM O=C(COc1cccc(N2CCCC2=O)c1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823043676 606650680 /nfs/dbraw/zinc/65/06/80/606650680.db2.gz FTWXNESFQCGWEY-UHFFFAOYSA-N -1 1 394.391 1.511 20 0 GDADMM O=C(COc1cccc(N2CCCC2=O)c1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823043676 606650681 /nfs/dbraw/zinc/65/06/81/606650681.db2.gz FTWXNESFQCGWEY-UHFFFAOYSA-N -1 1 394.391 1.511 20 0 GDADMM O=C(C[C@H](c1ccccc1)N1CCOC1=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822935805 606651295 /nfs/dbraw/zinc/65/12/95/606651295.db2.gz NTIXKVPIJFINCT-MRXNPFEDSA-N -1 1 394.391 1.889 20 0 GDADMM O=C(C[C@H](c1ccccc1)N1CCOC1=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822935805 606651296 /nfs/dbraw/zinc/65/12/96/606651296.db2.gz NTIXKVPIJFINCT-MRXNPFEDSA-N -1 1 394.391 1.889 20 0 GDADMM O=C(C=C1CCC1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000822918053 606667088 /nfs/dbraw/zinc/66/70/88/606667088.db2.gz YLSIJOCUHZOFNI-UHFFFAOYSA-N -1 1 381.396 1.874 20 0 GDADMM O=C(N[C@H]1CCN(c2c(F)cccc2F)C1=O)c1ccc(-c2nnn[n-]2)s1 ZINC000823154514 606693956 /nfs/dbraw/zinc/69/39/56/606693956.db2.gz DTHXTOSZDZRGFD-JTQLQIEISA-N -1 1 390.375 1.742 20 0 GDADMM O=C(N[C@H]1CCN(c2c(F)cccc2F)C1=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823154514 606693957 /nfs/dbraw/zinc/69/39/57/606693957.db2.gz DTHXTOSZDZRGFD-JTQLQIEISA-N -1 1 390.375 1.742 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=S)Nc1ccccc1F ZINC000820788897 606764483 /nfs/dbraw/zinc/76/44/83/606764483.db2.gz QTPDVOGIYBTKSU-LLVKDONJSA-N -1 1 399.459 1.703 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=S)Nc1ccccc1F ZINC000820788897 606764485 /nfs/dbraw/zinc/76/44/85/606764485.db2.gz QTPDVOGIYBTKSU-LLVKDONJSA-N -1 1 399.459 1.703 20 0 GDADMM COc1ccc2c(c1)N(S(=O)(=O)c1ccc(-c3nnn[n-]3)nc1)CCCC2 ZINC000821849512 606765544 /nfs/dbraw/zinc/76/55/44/606765544.db2.gz KSIVUYTVSRMSCV-UHFFFAOYSA-N -1 1 386.437 1.802 20 0 GDADMM COc1ccc2c(c1)N(S(=O)(=O)c1ccc(-c3nn[n-]n3)nc1)CCCC2 ZINC000821849512 606765546 /nfs/dbraw/zinc/76/55/46/606765546.db2.gz KSIVUYTVSRMSCV-UHFFFAOYSA-N -1 1 386.437 1.802 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cnc(Cl)s1 ZINC000820803668 606778628 /nfs/dbraw/zinc/77/86/28/606778628.db2.gz DZVHRTJBOJQBKF-SECBINFHSA-N -1 1 377.865 1.477 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1cnc(Cl)s1 ZINC000820803668 606778629 /nfs/dbraw/zinc/77/86/29/606778629.db2.gz DZVHRTJBOJQBKF-SECBINFHSA-N -1 1 377.865 1.477 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1nc2ccccc2s1 ZINC000820803975 606778643 /nfs/dbraw/zinc/77/86/43/606778643.db2.gz KNTMYLRDIZFTOH-GFCCVEGCSA-N -1 1 393.480 1.977 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1nc2ccccc2s1 ZINC000820803975 606778645 /nfs/dbraw/zinc/77/86/45/606778645.db2.gz KNTMYLRDIZFTOH-GFCCVEGCSA-N -1 1 393.480 1.977 20 0 GDADMM COc1ccc(F)cc1CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821828342 606784620 /nfs/dbraw/zinc/78/46/20/606784620.db2.gz SUSOPEWAOFUEOU-LBPRGKRZSA-N -1 1 384.419 1.515 20 0 GDADMM COc1ccc(F)cc1CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821828342 606784621 /nfs/dbraw/zinc/78/46/21/606784621.db2.gz SUSOPEWAOFUEOU-LBPRGKRZSA-N -1 1 384.419 1.515 20 0 GDADMM CC[C@@H]1CCCC[C@H]1NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820978658 606789089 /nfs/dbraw/zinc/78/90/89/606789089.db2.gz BTWKUUAUNRFAJQ-RRFJBIMHSA-N -1 1 399.503 1.846 20 0 GDADMM CC[C@@H]1CCCC[C@H]1NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820978658 606789091 /nfs/dbraw/zinc/78/90/91/606789091.db2.gz BTWKUUAUNRFAJQ-RRFJBIMHSA-N -1 1 399.503 1.846 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)Nc2cc(C(N)=O)n(C)c2)c1-c1nnn[n-]1 ZINC000821988801 606797746 /nfs/dbraw/zinc/79/77/46/606797746.db2.gz HEWQDFYUTTWCAI-UHFFFAOYSA-N -1 1 398.452 1.551 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)Nc2cc(C(N)=O)n(C)c2)c1-c1nn[n-]n1 ZINC000821988801 606797747 /nfs/dbraw/zinc/79/77/47/606797747.db2.gz HEWQDFYUTTWCAI-UHFFFAOYSA-N -1 1 398.452 1.551 20 0 GDADMM CC1(C2CCN(S(=O)(=O)c3ccc(F)c(-c4nn[n-]n4)c3)CC2)OCCO1 ZINC000820612497 606808720 /nfs/dbraw/zinc/80/87/20/606808720.db2.gz FZVJPMXZHJTZFG-UHFFFAOYSA-N -1 1 397.432 1.170 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@H](C)CNc2ccccc2)cc1-c1nn[n-]n1 ZINC000821970186 606817354 /nfs/dbraw/zinc/81/73/54/606817354.db2.gz KKZGBMHLNPMIHA-SNVBAGLBSA-N -1 1 385.453 1.920 20 0 GDADMM C[C@@H]1CC[C@@H](CCC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)O1 ZINC000820683480 606819429 /nfs/dbraw/zinc/81/94/29/606819429.db2.gz BVMZPYSLCIILOI-MCIONIFRSA-N -1 1 386.460 1.042 20 0 GDADMM C[C@@H]1CC[C@@H](CCC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)O1 ZINC000820683480 606819430 /nfs/dbraw/zinc/81/94/30/606819430.db2.gz BVMZPYSLCIILOI-MCIONIFRSA-N -1 1 386.460 1.042 20 0 GDADMM C[C@@H](CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)n1cccc1 ZINC000820778396 606821876 /nfs/dbraw/zinc/82/18/76/606821876.db2.gz WGGQODHTAIAKFS-KBPBESRZSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H](CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)n1cccc1 ZINC000820778396 606821877 /nfs/dbraw/zinc/82/18/77/606821877.db2.gz WGGQODHTAIAKFS-KBPBESRZSA-N -1 1 381.444 1.147 20 0 GDADMM CCCCS[C@H](C)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821077625 606824006 /nfs/dbraw/zinc/82/40/06/606824006.db2.gz NWBLWLSOXMGUAT-QWHCGFSZSA-N -1 1 390.517 1.616 20 0 GDADMM CCCCS[C@H](C)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821077625 606824009 /nfs/dbraw/zinc/82/40/09/606824009.db2.gz NWBLWLSOXMGUAT-QWHCGFSZSA-N -1 1 390.517 1.616 20 0 GDADMM Cc1ccc(CCC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cc1 ZINC000822234840 606824272 /nfs/dbraw/zinc/82/42/72/606824272.db2.gz JGYSZFMFUPAHHE-OAHLLOKOSA-N -1 1 392.467 1.635 20 0 GDADMM Cc1ccc(CCC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cc1 ZINC000822234840 606824273 /nfs/dbraw/zinc/82/42/73/606824273.db2.gz JGYSZFMFUPAHHE-OAHLLOKOSA-N -1 1 392.467 1.635 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cccc(F)c1F ZINC000820788942 606825323 /nfs/dbraw/zinc/82/53/23/606825323.db2.gz RRXMHRGDEPVFLV-SNVBAGLBSA-N -1 1 386.366 1.286 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cccc(F)c1F ZINC000820788942 606825325 /nfs/dbraw/zinc/82/53/25/606825325.db2.gz RRXMHRGDEPVFLV-SNVBAGLBSA-N -1 1 386.366 1.286 20 0 GDADMM CSc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cc1 ZINC000821978950 606825538 /nfs/dbraw/zinc/82/55/38/606825538.db2.gz NVVOIOFAOYRFDX-GFCCVEGCSA-N -1 1 396.480 1.730 20 0 GDADMM CSc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cc1 ZINC000821978950 606825539 /nfs/dbraw/zinc/82/55/39/606825539.db2.gz NVVOIOFAOYRFDX-GFCCVEGCSA-N -1 1 396.480 1.730 20 0 GDADMM Cc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c(F)c1 ZINC000822226367 606825701 /nfs/dbraw/zinc/82/57/01/606825701.db2.gz ORFZVSAJWQTNFD-LBPRGKRZSA-N -1 1 382.403 1.455 20 0 GDADMM Cc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c(F)c1 ZINC000822226367 606825703 /nfs/dbraw/zinc/82/57/03/606825703.db2.gz ORFZVSAJWQTNFD-LBPRGKRZSA-N -1 1 382.403 1.455 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cccnc1Cl ZINC000820789156 606831441 /nfs/dbraw/zinc/83/14/41/606831441.db2.gz WRKPVWDKGORCBD-SNVBAGLBSA-N -1 1 385.819 1.056 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cccnc1Cl ZINC000820789156 606831443 /nfs/dbraw/zinc/83/14/43/606831443.db2.gz WRKPVWDKGORCBD-SNVBAGLBSA-N -1 1 385.819 1.056 20 0 GDADMM CCOC(=O)CC1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000821325266 606840225 /nfs/dbraw/zinc/84/02/25/606840225.db2.gz CXSXVAACLYJEPK-UHFFFAOYSA-N -1 1 397.432 1.360 20 0 GDADMM CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820863631 606840502 /nfs/dbraw/zinc/84/05/02/606840502.db2.gz UVVBCLQTXJGQJR-GWCFXTLKSA-N -1 1 376.442 1.253 20 0 GDADMM CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820863631 606840504 /nfs/dbraw/zinc/84/05/04/606840504.db2.gz UVVBCLQTXJGQJR-GWCFXTLKSA-N -1 1 376.442 1.253 20 0 GDADMM COc1ccccc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821883583 606855501 /nfs/dbraw/zinc/85/55/01/606855501.db2.gz XUKFKNARRJXVRU-GFCCVEGCSA-N -1 1 380.412 1.016 20 0 GDADMM COc1ccccc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821883583 606855502 /nfs/dbraw/zinc/85/55/02/606855502.db2.gz XUKFKNARRJXVRU-GFCCVEGCSA-N -1 1 380.412 1.016 20 0 GDADMM Cn1cc(-c2nc3ccccn3c2NC(=O)c2ccc(-c3nnn[n-]3)nc2)cn1 ZINC000822605116 606856380 /nfs/dbraw/zinc/85/63/80/606856380.db2.gz ZNFVOBYWXFEYDP-UHFFFAOYSA-N -1 1 386.379 1.562 20 0 GDADMM Cn1cc(-c2nc3ccccn3c2NC(=O)c2ccc(-c3nn[n-]n3)nc2)cn1 ZINC000822605116 606856382 /nfs/dbraw/zinc/85/63/82/606856382.db2.gz ZNFVOBYWXFEYDP-UHFFFAOYSA-N -1 1 386.379 1.562 20 0 GDADMM C[C@H]1CC[C@@H](C(=O)N2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)O1 ZINC000820678596 606865172 /nfs/dbraw/zinc/86/51/72/606865172.db2.gz WELYVYYKZYGZKF-AAEUAGOBSA-N -1 1 399.411 1.331 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N[C@@H]1CCCCC1(C)C ZINC000820788914 606873728 /nfs/dbraw/zinc/87/37/28/606873728.db2.gz RCRWZXPOYCJBPV-ZIAGYGMSSA-N -1 1 399.503 1.846 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N[C@@H]1CCCCC1(C)C ZINC000820788914 606873729 /nfs/dbraw/zinc/87/37/29/606873729.db2.gz RCRWZXPOYCJBPV-ZIAGYGMSSA-N -1 1 399.503 1.846 20 0 GDADMM CCO[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C12CCC2 ZINC000821359879 606875118 /nfs/dbraw/zinc/87/51/18/606875118.db2.gz PFQKAHFRPOWBIC-HUUCEWRRSA-N -1 1 395.460 1.974 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CC[C@H](Oc2ccccn2)C1 ZINC000823601190 606875619 /nfs/dbraw/zinc/87/56/19/606875619.db2.gz VLBZPWARNUCZKX-NSHDSACASA-N -1 1 390.400 1.243 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1ccn(C2CCCC2)n1 ZINC000820803498 606910851 /nfs/dbraw/zinc/91/08/51/606910851.db2.gz AYDLVMDCWUVRIA-AWEZNQCLSA-N -1 1 394.487 1.679 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1ccn(C2CCCC2)n1 ZINC000820803498 606910853 /nfs/dbraw/zinc/91/08/53/606910853.db2.gz AYDLVMDCWUVRIA-AWEZNQCLSA-N -1 1 394.487 1.679 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000823478573 606937519 /nfs/dbraw/zinc/93/75/19/606937519.db2.gz MCVPCFJNQHLHDE-RDJZCZTQSA-N -1 1 380.408 1.226 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000823478573 606937520 /nfs/dbraw/zinc/93/75/20/606937520.db2.gz MCVPCFJNQHLHDE-RDJZCZTQSA-N -1 1 380.408 1.226 20 0 GDADMM C[C@@H]1c2cc(F)cc(F)c2CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820820404 606941258 /nfs/dbraw/zinc/94/12/58/606941258.db2.gz OKLGREPZFVDKIR-SECBINFHSA-N -1 1 392.391 1.848 20 0 GDADMM C[C@@H]1c2cc(F)cc(F)c2CCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820820404 606941259 /nfs/dbraw/zinc/94/12/59/606941259.db2.gz OKLGREPZFVDKIR-SECBINFHSA-N -1 1 392.391 1.848 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000823605762 607007195 /nfs/dbraw/zinc/00/71/95/607007195.db2.gz AUQRCBPDVQOAST-ZBEGNZNMSA-N -1 1 397.888 1.836 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000823605762 607007196 /nfs/dbraw/zinc/00/71/96/607007196.db2.gz AUQRCBPDVQOAST-ZBEGNZNMSA-N -1 1 397.888 1.836 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000823607746 607007248 /nfs/dbraw/zinc/00/72/48/607007248.db2.gz WUGMVQNZEBHCFI-BZNIZROVSA-N -1 1 381.433 1.322 20 0 GDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000823383768 607024943 /nfs/dbraw/zinc/02/49/43/607024943.db2.gz ZGRDHHIZMSPGAG-UHFFFAOYSA-N -1 1 391.438 1.115 20 0 GDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000823383768 607024945 /nfs/dbraw/zinc/02/49/45/607024945.db2.gz ZGRDHHIZMSPGAG-UHFFFAOYSA-N -1 1 391.438 1.115 20 0 GDADMM O=C(Nc1ccc(N2CCC(O)CC2)c(-c2nn[nH]n2)c1)c1cc(F)ccc1[O-] ZINC000823346148 607049761 /nfs/dbraw/zinc/04/97/61/607049761.db2.gz KAHHFSXFKUYHRS-UHFFFAOYSA-N -1 1 398.398 1.925 20 0 GDADMM CSCC[C@H](NC(=O)c1ccco1)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000821962402 607107913 /nfs/dbraw/zinc/10/79/13/607107913.db2.gz PMIYAWKEGWLBDG-QMMMGPOBSA-N -1 1 393.454 1.406 20 0 GDADMM CSCC[C@H](NC(=O)c1ccco1)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000821962402 607107914 /nfs/dbraw/zinc/10/79/14/607107914.db2.gz PMIYAWKEGWLBDG-QMMMGPOBSA-N -1 1 393.454 1.406 20 0 GDADMM O=C(CCCNC(=O)NC1CCCCC1)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822959092 607109118 /nfs/dbraw/zinc/10/91/18/607109118.db2.gz RCIVMDVFPSPDDU-UHFFFAOYSA-N -1 1 378.462 1.674 20 0 GDADMM O=C(CCCNC(=O)NC1CCCCC1)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822959092 607109119 /nfs/dbraw/zinc/10/91/19/607109119.db2.gz RCIVMDVFPSPDDU-UHFFFAOYSA-N -1 1 378.462 1.674 20 0 GDADMM COC(=O)[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1cc(OC)cc(OC)c1 ZINC000821648286 607111278 /nfs/dbraw/zinc/11/12/78/607111278.db2.gz GCMHEECLJZNLEZ-OAHLLOKOSA-N -1 1 399.363 1.350 20 0 GDADMM COC(=O)[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1cc(OC)cc(OC)c1 ZINC000821648286 607111280 /nfs/dbraw/zinc/11/12/80/607111280.db2.gz GCMHEECLJZNLEZ-OAHLLOKOSA-N -1 1 399.363 1.350 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccccc1NC(=O)c1ccccc1 ZINC000823136136 607207694 /nfs/dbraw/zinc/20/76/94/607207694.db2.gz LOPAYDCUEDFTKP-UHFFFAOYSA-N -1 1 389.379 1.349 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000823132034 607208232 /nfs/dbraw/zinc/20/82/32/607208232.db2.gz WESGCFRZEBPJJI-UHFFFAOYSA-N -1 1 395.358 1.101 20 0 GDADMM CCCN(CCC)C(=O)c1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000821099623 607209000 /nfs/dbraw/zinc/20/90/00/607209000.db2.gz LPSMAJWADLFEKY-UHFFFAOYSA-N -1 1 397.443 1.359 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCCc2cc(OC(F)F)ccc21 ZINC000823127190 607210565 /nfs/dbraw/zinc/21/05/65/607210565.db2.gz WDTSQGRINBZIEJ-UHFFFAOYSA-N -1 1 376.327 1.039 20 0 GDADMM COc1ccccc1SC[C@@H](C)CNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821903976 607214540 /nfs/dbraw/zinc/21/45/40/607214540.db2.gz PCYAPZNDXHKHFL-NSHDSACASA-N -1 1 388.457 1.011 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCCO[C@@H]1CCCc2ccccc21 ZINC000823131616 607217339 /nfs/dbraw/zinc/21/73/39/607217339.db2.gz KFUWPWATHGCKNZ-OAHLLOKOSA-N -1 1 382.428 1.059 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC1(c2cccc(Br)c2)CC1 ZINC000823125749 607219221 /nfs/dbraw/zinc/21/92/21/607219221.db2.gz CWHFXHYEUWWNQP-UHFFFAOYSA-N -1 1 389.217 1.026 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000823126925 607224036 /nfs/dbraw/zinc/22/40/36/607224036.db2.gz NXFLOMCSAHHVEL-OAHLLOKOSA-N -1 1 395.814 1.412 20 0 GDADMM CC[C@H]1CN(C(=O)C(C)C)CC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000825203131 607802155 /nfs/dbraw/zinc/80/21/55/607802155.db2.gz MJGCHYITVLZHIZ-NWDGAFQWSA-N -1 1 376.486 1.941 20 0 GDADMM CC[C@H]1CN(C(=O)C(C)C)CC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000825203131 607802156 /nfs/dbraw/zinc/80/21/56/607802156.db2.gz MJGCHYITVLZHIZ-NWDGAFQWSA-N -1 1 376.486 1.941 20 0 GDADMM Cc1oc(NC(=O)COC(=O)C(F)(F)C2(O)CCC2)c(-c2nn[n-]n2)c1C ZINC000826342480 607804897 /nfs/dbraw/zinc/80/48/97/607804897.db2.gz MHGBGCYVRBXZSF-UHFFFAOYSA-N -1 1 385.327 1.109 20 0 GDADMM COc1cccnc1N(C)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826220881 607811836 /nfs/dbraw/zinc/81/18/36/607811836.db2.gz FDZZNWZHXYAITQ-UHFFFAOYSA-N -1 1 380.817 1.749 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000826494445 607812649 /nfs/dbraw/zinc/81/26/49/607812649.db2.gz CDDQRCSFDKPRHN-SFHVURJKSA-N -1 1 398.448 1.124 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000826494445 607812650 /nfs/dbraw/zinc/81/26/50/607812650.db2.gz CDDQRCSFDKPRHN-SFHVURJKSA-N -1 1 398.448 1.124 20 0 GDADMM O=S(=O)(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826488478 607819775 /nfs/dbraw/zinc/81/97/75/607819775.db2.gz RAPMMKYZLXQFIO-ZLKJLUDKSA-N -1 1 379.417 1.242 20 0 GDADMM CC(=O)N1CC[C@H](CN(C)C(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)C1 ZINC000823973196 607854334 /nfs/dbraw/zinc/85/43/34/607854334.db2.gz JEIMHVOEOADURP-CQSZACIVSA-N -1 1 397.439 1.499 20 0 GDADMM CC(=O)N1CC[C@H](CN(C)C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)C1 ZINC000823973196 607854335 /nfs/dbraw/zinc/85/43/35/607854335.db2.gz JEIMHVOEOADURP-CQSZACIVSA-N -1 1 397.439 1.499 20 0 GDADMM Cc1cccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1Cl ZINC000826296176 607854969 /nfs/dbraw/zinc/85/49/69/607854969.db2.gz LSODQXWRTBJUIW-LBPRGKRZSA-N -1 1 398.858 1.969 20 0 GDADMM Cc1cccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1Cl ZINC000826296176 607854970 /nfs/dbraw/zinc/85/49/70/607854970.db2.gz LSODQXWRTBJUIW-LBPRGKRZSA-N -1 1 398.858 1.969 20 0 GDADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)Nc1ccc(N2CCOCC2)cc1 ZINC000826418686 607864230 /nfs/dbraw/zinc/86/42/30/607864230.db2.gz RJNYVKNUPPIWFL-UHFFFAOYSA-N -1 1 398.398 1.860 20 0 GDADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)Nc1ccc(N2CCOCC2)cc1 ZINC000826418686 607864231 /nfs/dbraw/zinc/86/42/31/607864231.db2.gz RJNYVKNUPPIWFL-UHFFFAOYSA-N -1 1 398.398 1.860 20 0 GDADMM CC(=O)[C@H](Cc1ccccc1)NC(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000823967507 607865938 /nfs/dbraw/zinc/86/59/38/607865938.db2.gz MPOOFMVNXSNJDA-HNNXBMFYSA-N -1 1 383.383 1.701 20 0 GDADMM CC(=O)[C@H](Cc1ccccc1)NC(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000823967507 607865939 /nfs/dbraw/zinc/86/59/39/607865939.db2.gz MPOOFMVNXSNJDA-HNNXBMFYSA-N -1 1 383.383 1.701 20 0 GDADMM CC(C)(C)c1cc(NC(=O)Cn2nc3ccccn3c2=O)c(-c2nnn[n-]2)s1 ZINC000824129602 607929152 /nfs/dbraw/zinc/92/91/52/607929152.db2.gz ACLQMLMAODAMDW-UHFFFAOYSA-N -1 1 398.452 1.674 20 0 GDADMM CC(C)(C)c1cc(NC(=O)Cn2nc3ccccn3c2=O)c(-c2nn[n-]n2)s1 ZINC000824129602 607929153 /nfs/dbraw/zinc/92/91/53/607929153.db2.gz ACLQMLMAODAMDW-UHFFFAOYSA-N -1 1 398.452 1.674 20 0 GDADMM CN(C1CCC(CO)CC1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825887090 607971340 /nfs/dbraw/zinc/97/13/40/607971340.db2.gz CNKXJFAVWWIPJR-UHFFFAOYSA-N -1 1 385.877 1.692 20 0 GDADMM COC(=O)C1(N(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCCCC1 ZINC000826124149 607975590 /nfs/dbraw/zinc/97/55/90/607975590.db2.gz PPZDAZJOUUSWIZ-UHFFFAOYSA-N -1 1 397.432 1.502 20 0 GDADMM CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825221288 607997438 /nfs/dbraw/zinc/99/74/38/607997438.db2.gz ZHYZIJZQQFCROV-MQSIBISMSA-N -1 1 388.453 1.769 20 0 GDADMM C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000824449865 608008158 /nfs/dbraw/zinc/00/81/58/608008158.db2.gz PREXQHDANNZPNO-MRVPVSSYSA-N -1 1 381.227 1.512 20 0 GDADMM CCS(=O)(=O)CCN(C)C(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000825658279 608008383 /nfs/dbraw/zinc/00/83/83/608008383.db2.gz CRBUAUAWQRHMLP-UHFFFAOYSA-N -1 1 392.441 1.066 20 0 GDADMM CCS(=O)(=O)CCN(C)C(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000825658279 608008384 /nfs/dbraw/zinc/00/83/84/608008384.db2.gz CRBUAUAWQRHMLP-UHFFFAOYSA-N -1 1 392.441 1.066 20 0 GDADMM O=C([O-])CCCCCNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826461500 608010693 /nfs/dbraw/zinc/01/06/93/608010693.db2.gz XNNFTYWEMGKWEI-UHFFFAOYSA-N -1 1 375.357 1.068 20 0 GDADMM Cc1n[nH]c(C)c1CCOC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000826321793 608012186 /nfs/dbraw/zinc/01/21/86/608012186.db2.gz PRVDQHYNVPJZLA-UHFFFAOYSA-N -1 1 385.428 1.643 20 0 GDADMM CC[C@]1(C)COCCN1CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000825165259 608043444 /nfs/dbraw/zinc/04/34/44/608043444.db2.gz XFZSBORDVJCEIB-LJQANCHMSA-N -1 1 396.455 1.492 20 0 GDADMM CC[C@]1(C)COCCN1CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000825165259 608043445 /nfs/dbraw/zinc/04/34/45/608043445.db2.gz XFZSBORDVJCEIB-LJQANCHMSA-N -1 1 396.455 1.492 20 0 GDADMM COc1cccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1F ZINC000826213908 608072028 /nfs/dbraw/zinc/07/20/28/608072028.db2.gz RAJYYOSMXVXELT-LLVKDONJSA-N -1 1 398.402 1.155 20 0 GDADMM COc1cccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1F ZINC000826213908 608072029 /nfs/dbraw/zinc/07/20/29/608072029.db2.gz RAJYYOSMXVXELT-LLVKDONJSA-N -1 1 398.402 1.155 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OC[C@@H]1CC[C@@H](C)O1 ZINC000826328465 608076590 /nfs/dbraw/zinc/07/65/90/608076590.db2.gz RVGKUWYEHJHMAX-MFKMUULPSA-N -1 1 385.428 1.570 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OC[C@@H]1CC[C@@H](C)O1 ZINC000826328465 608076591 /nfs/dbraw/zinc/07/65/91/608076591.db2.gz RVGKUWYEHJHMAX-MFKMUULPSA-N -1 1 385.428 1.570 20 0 GDADMM O=C(c1cccc(F)n1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000826474145 608117688 /nfs/dbraw/zinc/11/76/88/608117688.db2.gz CKLDCITVIVZHTF-UHFFFAOYSA-N -1 1 384.375 1.229 20 0 GDADMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1nc2c(cc(F)c(F)c2F)s1 ZINC000826425173 608147480 /nfs/dbraw/zinc/14/74/80/608147480.db2.gz SITFBOIPGSYMTI-UHFFFAOYSA-N -1 1 380.315 1.729 20 0 GDADMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1nc2c(cc(F)c(F)c2F)s1 ZINC000826425173 608147481 /nfs/dbraw/zinc/14/74/81/608147481.db2.gz SITFBOIPGSYMTI-UHFFFAOYSA-N -1 1 380.315 1.729 20 0 GDADMM COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000826160337 608179427 /nfs/dbraw/zinc/17/94/27/608179427.db2.gz OQRYLGXDYBRGKZ-RKDXNWHRSA-N -1 1 385.881 1.344 20 0 GDADMM COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000826160337 608179429 /nfs/dbraw/zinc/17/94/29/608179429.db2.gz OQRYLGXDYBRGKZ-RKDXNWHRSA-N -1 1 385.881 1.344 20 0 GDADMM CN(c1cccnn1)C1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000826011156 608182362 /nfs/dbraw/zinc/18/23/62/608182362.db2.gz ZCBZOLUTJXYTFX-UHFFFAOYSA-N -1 1 377.865 1.872 20 0 GDADMM CN(c1cccnn1)C1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000826011156 608182364 /nfs/dbraw/zinc/18/23/64/608182364.db2.gz ZCBZOLUTJXYTFX-UHFFFAOYSA-N -1 1 377.865 1.872 20 0 GDADMM CC(=Cc1ccc(F)cc1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000823944039 608210016 /nfs/dbraw/zinc/21/00/16/608210016.db2.gz XEPHCRNQWANRPQ-KHPPLWFESA-N -1 1 384.419 1.806 20 0 GDADMM CC(=Cc1ccc(F)cc1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000823944039 608210018 /nfs/dbraw/zinc/21/00/18/608210018.db2.gz XEPHCRNQWANRPQ-KHPPLWFESA-N -1 1 384.419 1.806 20 0 GDADMM C[C@H](CCOc1ccccc1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824406666 608210656 /nfs/dbraw/zinc/21/06/56/608210656.db2.gz PJUHEKNUWJLEFI-CYBMUJFWSA-N -1 1 398.471 1.668 20 0 GDADMM C[C@H](CCOc1ccccc1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824406666 608210659 /nfs/dbraw/zinc/21/06/59/608210659.db2.gz PJUHEKNUWJLEFI-CYBMUJFWSA-N -1 1 398.471 1.668 20 0 GDADMM COc1cccc(C(C)=CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000826214698 608213360 /nfs/dbraw/zinc/21/33/60/608213360.db2.gz UJEOKBSSTYXVFG-BENRWUELSA-N -1 1 396.455 1.675 20 0 GDADMM COc1cccc(C(C)=CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000826214698 608213363 /nfs/dbraw/zinc/21/33/63/608213363.db2.gz UJEOKBSSTYXVFG-BENRWUELSA-N -1 1 396.455 1.675 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cnc(C(C)(C)C)s1 ZINC000825935094 608213424 /nfs/dbraw/zinc/21/34/24/608213424.db2.gz UNAREWWHAWQBDR-UHFFFAOYSA-N -1 1 389.489 1.631 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cnc(C(C)(C)C)s1 ZINC000825935094 608213427 /nfs/dbraw/zinc/21/34/27/608213427.db2.gz UNAREWWHAWQBDR-UHFFFAOYSA-N -1 1 389.489 1.631 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCOC2(CCC2)C1 ZINC000826328437 608252255 /nfs/dbraw/zinc/25/22/55/608252255.db2.gz RGRXHIGCEZWKLS-UHFFFAOYSA-N -1 1 396.455 1.240 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCOC2(CCC2)C1 ZINC000826328437 608252257 /nfs/dbraw/zinc/25/22/57/608252257.db2.gz RGRXHIGCEZWKLS-UHFFFAOYSA-N -1 1 396.455 1.240 20 0 GDADMM Cc1cccnc1COC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000826308122 608253378 /nfs/dbraw/zinc/25/33/78/608253378.db2.gz KNPFGHUVNWFXEG-UHFFFAOYSA-N -1 1 392.423 1.906 20 0 GDADMM Cc1cccnc1COC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000826308122 608253380 /nfs/dbraw/zinc/25/33/80/608253380.db2.gz KNPFGHUVNWFXEG-UHFFFAOYSA-N -1 1 392.423 1.906 20 0 GDADMM C[C@@H](C(N)=O)N(C)C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000824051823 608270276 /nfs/dbraw/zinc/27/02/76/608270276.db2.gz FZNQPZLDRSZFLP-JTQLQIEISA-N -1 1 385.453 1.610 20 0 GDADMM Cc1nn(-c2ccccc2)c(CN(C)[C@@H](C)CS(C)(=O)=O)c1-c1nn[n-]n1 ZINC000826332627 608313440 /nfs/dbraw/zinc/31/34/40/608313440.db2.gz ZWRTVAHQQHCDJE-LBPRGKRZSA-N -1 1 389.485 1.226 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC000826472164 608315426 /nfs/dbraw/zinc/31/54/26/608315426.db2.gz ACNCAVFUVLESPS-GOSISDBHSA-N -1 1 384.827 1.735 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC000826472164 608315428 /nfs/dbraw/zinc/31/54/28/608315428.db2.gz ACNCAVFUVLESPS-GOSISDBHSA-N -1 1 384.827 1.735 20 0 GDADMM CCN(CCS(C)(=O)=O)Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000825424226 608316460 /nfs/dbraw/zinc/31/64/60/608316460.db2.gz BRPISHBQDDFQBA-UHFFFAOYSA-N -1 1 389.485 1.227 20 0 GDADMM CCOC(=O)C[C@@H](O)CSc1nc(C)cc(C(F)(F)F)c1-c1nn[n-]n1 ZINC000825508303 608330235 /nfs/dbraw/zinc/33/02/35/608330235.db2.gz WLBLNVBSHPNFDJ-MRVPVSSYSA-N -1 1 391.375 1.995 20 0 GDADMM Cc1ccc(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)cc1 ZINC000826288213 608340974 /nfs/dbraw/zinc/34/09/74/608340974.db2.gz WAHDBCGBRVENSN-UHFFFAOYSA-N -1 1 382.428 1.382 20 0 GDADMM Cc1ccc(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)cc1 ZINC000826288213 608340975 /nfs/dbraw/zinc/34/09/75/608340975.db2.gz WAHDBCGBRVENSN-UHFFFAOYSA-N -1 1 382.428 1.382 20 0 GDADMM CC[C@H](CSC)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000825128681 608423350 /nfs/dbraw/zinc/42/33/50/608423350.db2.gz XWLWTPRBJPRDHL-VXGBXAGGSA-N -1 1 391.505 1.018 20 0 GDADMM CC[C@H](CSC)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000825128681 608423351 /nfs/dbraw/zinc/42/33/51/608423351.db2.gz XWLWTPRBJPRDHL-VXGBXAGGSA-N -1 1 391.505 1.018 20 0 GDADMM Cc1ccc(Oc2ccc(-c3nnn[n-]3)nn2)c(I)n1 ZINC000826292935 608437571 /nfs/dbraw/zinc/43/75/71/608437571.db2.gz SVOZFVWGVZQUHO-UHFFFAOYSA-N -1 1 381.137 1.757 20 0 GDADMM Cc1ccc(Oc2ccc(-c3nn[n-]n3)nn2)c(I)n1 ZINC000826292935 608437572 /nfs/dbraw/zinc/43/75/72/608437572.db2.gz SVOZFVWGVZQUHO-UHFFFAOYSA-N -1 1 381.137 1.757 20 0 GDADMM COCCN(CCNC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)OC(C)(C)C ZINC000826158626 608475247 /nfs/dbraw/zinc/47/52/47/608475247.db2.gz WODUZSRFVQEEQX-UHFFFAOYSA-N -1 1 396.473 1.542 20 0 GDADMM COCCN(CCNC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)OC(C)(C)C ZINC000826158626 608475248 /nfs/dbraw/zinc/47/52/48/608475248.db2.gz WODUZSRFVQEEQX-UHFFFAOYSA-N -1 1 396.473 1.542 20 0 GDADMM O=S(=O)(c1ccccc1)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC000826495857 608499190 /nfs/dbraw/zinc/49/91/90/608499190.db2.gz DYQHAAONSXSNIV-UHFFFAOYSA-N -1 1 390.494 1.435 20 0 GDADMM CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccc(-c2nnn[n-]2)o1 ZINC000825892501 608500677 /nfs/dbraw/zinc/50/06/77/608500677.db2.gz MWSVRKLEWBZUOZ-UHFFFAOYSA-N -1 1 397.439 1.367 20 0 GDADMM CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccc(-c2nn[n-]n2)o1 ZINC000825892501 608500678 /nfs/dbraw/zinc/50/06/78/608500678.db2.gz MWSVRKLEWBZUOZ-UHFFFAOYSA-N -1 1 397.439 1.367 20 0 GDADMM Cc1ccc([C@@H](C)[C@@H](O)C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000826283419 608557139 /nfs/dbraw/zinc/55/71/39/608557139.db2.gz QMIFRZXRKZPSIU-MLGOLLRUSA-N -1 1 398.471 1.036 20 0 GDADMM Cc1ccc([C@@H](C)[C@@H](O)C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000826283419 608557141 /nfs/dbraw/zinc/55/71/41/608557141.db2.gz QMIFRZXRKZPSIU-MLGOLLRUSA-N -1 1 398.471 1.036 20 0 GDADMM CS(=O)(=O)c1ccccc1-n1cc(NCc2ccc(-c3nnn[n-]3)o2)cn1 ZINC000826223882 608568582 /nfs/dbraw/zinc/56/85/82/608568582.db2.gz DQZHNYBGPQTENH-UHFFFAOYSA-N -1 1 385.409 1.661 20 0 GDADMM CS(=O)(=O)c1ccccc1-n1cc(NCc2ccc(-c3nn[n-]n3)o2)cn1 ZINC000826223882 608568583 /nfs/dbraw/zinc/56/85/83/608568583.db2.gz DQZHNYBGPQTENH-UHFFFAOYSA-N -1 1 385.409 1.661 20 0 GDADMM c1cc2c(c(CN3CCN(c4oc(C5CC5)nc4-c4nn[n-]n4)CC3)c1)OCO2 ZINC000826515896 608590927 /nfs/dbraw/zinc/59/09/27/608590927.db2.gz OURWNMCDXWZQJG-UHFFFAOYSA-N -1 1 395.423 1.783 20 0 GDADMM Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1Cc1ccc(-c2nnn[n-]2)o1 ZINC000826329047 608699888 /nfs/dbraw/zinc/69/98/88/608699888.db2.gz OLVMPAGJRWSQAQ-INIZCTEOSA-N -1 1 378.396 1.089 20 0 GDADMM Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC000826329047 608699892 /nfs/dbraw/zinc/69/98/92/608699892.db2.gz OLVMPAGJRWSQAQ-INIZCTEOSA-N -1 1 378.396 1.089 20 0 GDADMM c1cc(-c2nnn[n-]2)oc1CN1CCn2c(CCc3ccccc3)nnc2C1 ZINC000826521644 608730659 /nfs/dbraw/zinc/73/06/59/608730659.db2.gz UJUZSFZPDDIAAL-UHFFFAOYSA-N -1 1 376.424 1.852 20 0 GDADMM c1cc(-c2nn[n-]n2)oc1CN1CCn2c(CCc3ccccc3)nnc2C1 ZINC000826521644 608730662 /nfs/dbraw/zinc/73/06/62/608730662.db2.gz UJUZSFZPDDIAAL-UHFFFAOYSA-N -1 1 376.424 1.852 20 0 GDADMM COc1cc(OC)cc(N2CC[C@H](N(C)Cc3ccc(-c4nnn[n-]4)o3)C2=O)c1 ZINC000826181407 608745702 /nfs/dbraw/zinc/74/57/02/608745702.db2.gz YETWDYZPGWUVHQ-INIZCTEOSA-N -1 1 398.423 1.714 20 0 GDADMM COc1cc(OC)cc(N2CC[C@H](N(C)Cc3ccc(-c4nn[n-]n4)o3)C2=O)c1 ZINC000826181407 608745704 /nfs/dbraw/zinc/74/57/04/608745704.db2.gz YETWDYZPGWUVHQ-INIZCTEOSA-N -1 1 398.423 1.714 20 0 GDADMM CCc1cccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1O ZINC000825716864 608808634 /nfs/dbraw/zinc/80/86/34/608808634.db2.gz BVMYQGMVRJRILD-GFCCVEGCSA-N -1 1 394.439 1.276 20 0 GDADMM CCc1cccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1O ZINC000825716864 608808637 /nfs/dbraw/zinc/80/86/37/608808637.db2.gz BVMYQGMVRJRILD-GFCCVEGCSA-N -1 1 394.439 1.276 20 0 GDADMM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(Cc2ccc(-c3nnn[n-]3)o2)CCO1 ZINC000824505684 608842443 /nfs/dbraw/zinc/84/24/43/608842443.db2.gz HAPUIAPPDWECTG-SMDDNHRTSA-N -1 1 378.433 1.574 20 0 GDADMM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(Cc2ccc(-c3nn[n-]n3)o2)CCO1 ZINC000824505684 608842449 /nfs/dbraw/zinc/84/24/49/608842449.db2.gz HAPUIAPPDWECTG-SMDDNHRTSA-N -1 1 378.433 1.574 20 0 GDADMM CCn1nc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1C1CC1 ZINC000825806874 609158086 /nfs/dbraw/zinc/15/80/86/609158086.db2.gz ICCMGGCPOHHLGQ-UHFFFAOYSA-N -1 1 399.463 1.362 20 0 GDADMM CCn1nc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1C1CC1 ZINC000825806874 609158088 /nfs/dbraw/zinc/15/80/88/609158088.db2.gz ICCMGGCPOHHLGQ-UHFFFAOYSA-N -1 1 399.463 1.362 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1cncc(-c2ccccc2)n1 ZINC000825938709 609162731 /nfs/dbraw/zinc/16/27/31/609162731.db2.gz WXIKUXPJOSPVCH-UHFFFAOYSA-N -1 1 376.428 1.698 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1cncc(-c2ccccc2)n1 ZINC000825938709 609162732 /nfs/dbraw/zinc/16/27/32/609162732.db2.gz WXIKUXPJOSPVCH-UHFFFAOYSA-N -1 1 376.428 1.698 20 0 GDADMM CC(C)C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC000824242686 609181426 /nfs/dbraw/zinc/18/14/26/609181426.db2.gz AIODJUGCIHXBES-NWDGAFQWSA-N -1 1 383.449 1.878 20 0 GDADMM CC(C)C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC000824242686 609181428 /nfs/dbraw/zinc/18/14/28/609181428.db2.gz AIODJUGCIHXBES-NWDGAFQWSA-N -1 1 383.449 1.878 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1cc(F)ccc1[O-] ZINC000826430685 609266201 /nfs/dbraw/zinc/26/62/01/609266201.db2.gz IWPDTIQKMYAOLB-HNNXBMFYSA-N -1 1 396.382 1.637 20 0 GDADMM CC1=C(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C(=O)OC1(C)C ZINC000824853062 609288818 /nfs/dbraw/zinc/28/88/18/609288818.db2.gz VXUYSGXQBQNMHA-UHFFFAOYSA-N -1 1 397.370 1.782 20 0 GDADMM Cn1cc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)ccc1=O ZINC000826359047 609293164 /nfs/dbraw/zinc/29/31/64/609293164.db2.gz SWHBABWICGAUTK-UHFFFAOYSA-N -1 1 380.343 1.143 20 0 GDADMM C[C@]1(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)CCCOC1 ZINC000824784232 609294145 /nfs/dbraw/zinc/29/41/45/609294145.db2.gz PIYUASITSRJDNQ-SFHVURJKSA-N -1 1 387.444 1.197 20 0 GDADMM CC(C)CCC[C@H](C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824243741 609298683 /nfs/dbraw/zinc/29/86/83/609298683.db2.gz NHGJQGIPUWXRPL-LBPRGKRZSA-N -1 1 377.497 1.961 20 0 GDADMM CC(C)CCC[C@H](C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824243741 609298684 /nfs/dbraw/zinc/29/86/84/609298684.db2.gz NHGJQGIPUWXRPL-LBPRGKRZSA-N -1 1 377.497 1.961 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1-c1nn[n-]n1 ZINC000826229893 609298793 /nfs/dbraw/zinc/29/87/93/609298793.db2.gz VXCXCFJPRBKPPZ-UHFFFAOYSA-N -1 1 396.396 1.122 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@@H]1CCc2ccccc21 ZINC000825929781 609299263 /nfs/dbraw/zinc/29/92/63/609299263.db2.gz JMGAQBMRWMNLGZ-CYBMUJFWSA-N -1 1 381.444 1.434 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@@H]1CCc2ccccc21 ZINC000825929781 609299264 /nfs/dbraw/zinc/29/92/64/609299264.db2.gz JMGAQBMRWMNLGZ-CYBMUJFWSA-N -1 1 381.444 1.434 20 0 GDADMM C[C@H](Cc1ccc(O)cc1)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824457125 609300298 /nfs/dbraw/zinc/30/02/98/609300298.db2.gz FNLJJCBENXZGRU-LLVKDONJSA-N -1 1 399.459 1.083 20 0 GDADMM C[C@H](Cc1ccc(O)cc1)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824457125 609300300 /nfs/dbraw/zinc/30/03/00/609300300.db2.gz FNLJJCBENXZGRU-LLVKDONJSA-N -1 1 399.459 1.083 20 0 GDADMM C[C@H](CCC(C)(C)C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824402715 609302242 /nfs/dbraw/zinc/30/22/42/609302242.db2.gz YJBCRQOXVCNENV-LLVKDONJSA-N -1 1 377.497 1.961 20 0 GDADMM C[C@H](CCC(C)(C)C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824402715 609302244 /nfs/dbraw/zinc/30/22/44/609302244.db2.gz YJBCRQOXVCNENV-LLVKDONJSA-N -1 1 377.497 1.961 20 0 GDADMM C[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)[C@H](C)c1ccccc1 ZINC000824489844 609303557 /nfs/dbraw/zinc/30/35/57/609303557.db2.gz MVBRFNCHKQLUMN-QWHCGFSZSA-N -1 1 397.487 1.938 20 0 GDADMM C[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)[C@H](C)c1ccccc1 ZINC000824489844 609303558 /nfs/dbraw/zinc/30/35/58/609303558.db2.gz MVBRFNCHKQLUMN-QWHCGFSZSA-N -1 1 397.487 1.938 20 0 GDADMM O=C(CCCNC(=O)C1CC1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826406480 609312211 /nfs/dbraw/zinc/31/22/11/609312211.db2.gz ZBCKAMZYFNZIBJ-UHFFFAOYSA-N -1 1 398.402 1.436 20 0 GDADMM CNc1ncc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)s1 ZINC000826099076 609350819 /nfs/dbraw/zinc/35/08/19/609350819.db2.gz XTDGVYSAHZEBPW-UHFFFAOYSA-N -1 1 385.388 1.942 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C(=O)N1CCCCCC1 ZINC000826458425 609354355 /nfs/dbraw/zinc/35/43/55/609354355.db2.gz PHNKDBBWCISFAL-UHFFFAOYSA-N -1 1 398.402 1.533 20 0 GDADMM O=C(NCc1cccnc1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826443211 609358741 /nfs/dbraw/zinc/35/87/41/609358741.db2.gz GHCUNZBXMUCVEP-UHFFFAOYSA-N -1 1 379.359 1.908 20 0 GDADMM CO[C@H]1CCCN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1 ZINC000826145481 609359414 /nfs/dbraw/zinc/35/94/14/609359414.db2.gz HLSBNMYMDGIVSZ-NSHDSACASA-N -1 1 386.391 1.834 20 0 GDADMM C[S@@](=O)CCCNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826225005 609361692 /nfs/dbraw/zinc/36/16/92/609361692.db2.gz QZVPUTCFOJDOMN-HHHXNRCGSA-N -1 1 392.420 1.082 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N1CCOC[C@@H]1C1CC1 ZINC000826458093 609363976 /nfs/dbraw/zinc/36/39/76/609363976.db2.gz CEYAJIVXXAHGMA-CQSZACIVSA-N -1 1 398.402 1.834 20 0 GDADMM O=C(NCCc1ccccn1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826439623 609363994 /nfs/dbraw/zinc/36/39/94/609363994.db2.gz CGVRSKAWLRORIS-UHFFFAOYSA-N -1 1 393.386 1.951 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2CC(C)(C)OC2(C)C)cc1-c1nn[n-]n1 ZINC000826229534 609399674 /nfs/dbraw/zinc/39/96/74/609399674.db2.gz IEWOSEFZEGYNKR-SNVBAGLBSA-N -1 1 378.458 1.765 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCO[C@@H](C(C)C)C1 ZINC000826328344 609402988 /nfs/dbraw/zinc/40/29/88/609402988.db2.gz OHIUOOXEZGNVJG-MRXNPFEDSA-N -1 1 398.471 1.342 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCO[C@@H](C(C)C)C1 ZINC000826328344 609402990 /nfs/dbraw/zinc/40/29/90/609402990.db2.gz OHIUOOXEZGNVJG-MRXNPFEDSA-N -1 1 398.471 1.342 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@@H](CO)Cc2ccccc2)cc1-c1nn[n-]n1 ZINC000826229470 609405203 /nfs/dbraw/zinc/40/52/03/609405203.db2.gz GATJEUZPDXORDX-LLVKDONJSA-N -1 1 386.437 1.023 20 0 GDADMM CCn1cc(-c2nn[n-]n2)c(=O)n(C[C@H](C)C(=O)c2ccc(F)c(F)c2)c1=O ZINC000825796799 609435402 /nfs/dbraw/zinc/43/54/02/609435402.db2.gz OOYMCNJYMDXZON-VIFPVBQESA-N -1 1 390.350 1.007 20 0 GDADMM Cc1onc(CC(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)c1-c1nnn[n-]1 ZINC000826346460 609469565 /nfs/dbraw/zinc/46/95/65/609469565.db2.gz NCHVSWUJOOWPTH-LBPRGKRZSA-N -1 1 399.386 1.157 20 0 GDADMM Cc1onc(CC(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)c1-c1nn[n-]n1 ZINC000826346460 609469568 /nfs/dbraw/zinc/46/95/68/609469568.db2.gz NCHVSWUJOOWPTH-LBPRGKRZSA-N -1 1 399.386 1.157 20 0 GDADMM COc1ccc([C@@H](OC)[C@@H](C)NC(=O)Cc2noc(C)c2-c2nnn[n-]2)cc1 ZINC000826188946 609469849 /nfs/dbraw/zinc/46/98/49/609469849.db2.gz KDGGRPRUBGPJHC-QGHHPUGFSA-N -1 1 386.412 1.607 20 0 GDADMM COc1ccc([C@@H](OC)[C@@H](C)NC(=O)Cc2noc(C)c2-c2nn[n-]n2)cc1 ZINC000826188946 609469852 /nfs/dbraw/zinc/46/98/52/609469852.db2.gz KDGGRPRUBGPJHC-QGHHPUGFSA-N -1 1 386.412 1.607 20 0 GDADMM COC(=O)C(C)(C)[C@H]1CCCN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)C1 ZINC000826098526 609470445 /nfs/dbraw/zinc/47/04/45/609470445.db2.gz HSUNBXWELPYANZ-NSHDSACASA-N -1 1 376.417 1.143 20 0 GDADMM COC(=O)C(C)(C)[C@H]1CCCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)C1 ZINC000826098526 609470446 /nfs/dbraw/zinc/47/04/46/609470446.db2.gz HSUNBXWELPYANZ-NSHDSACASA-N -1 1 376.417 1.143 20 0 GDADMM NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)c(F)c1 ZINC000826393119 609529190 /nfs/dbraw/zinc/52/91/90/609529190.db2.gz CCWJEUITXJNQNL-UHFFFAOYSA-N -1 1 396.791 1.559 20 0 GDADMM CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2[nH]nc(C)c2C)cc1 ZINC000533496672 650055093 /nfs/dbraw/zinc/05/50/93/650055093.db2.gz AXCPIQKBXWHTNB-UHFFFAOYSA-N -1 1 386.499 1.858 20 0 GDADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@@H]2C[C@H]2C)c(OC)c1 ZINC000534144139 650219336 /nfs/dbraw/zinc/21/93/36/650219336.db2.gz ATEHWMWCYYKQOX-NEPJUHHUSA-N -1 1 376.500 1.781 20 0 GDADMM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)c1 ZINC000534943853 650236012 /nfs/dbraw/zinc/23/60/12/650236012.db2.gz NMEAKUOMCLHYOQ-UHFFFAOYSA-N -1 1 387.410 1.817 20 0 GDADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1csc(S(N)(=O)=O)c1 ZINC000536939537 650284328 /nfs/dbraw/zinc/28/43/28/650284328.db2.gz RDLJWEOZBZSMNC-UHFFFAOYSA-N -1 1 393.443 1.158 20 0 GDADMM COC(=O)[C@H]([N-]S(=O)(=O)c1cn(C)cn1)c1ccc(OC(F)F)cc1 ZINC000539223017 650331272 /nfs/dbraw/zinc/33/12/72/650331272.db2.gz SKIRCQNCQSPTKB-GFCCVEGCSA-N -1 1 375.353 1.214 20 0 GDADMM Cn1ncc(NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)c1C(=O)[O-] ZINC000540295963 650355237 /nfs/dbraw/zinc/35/52/37/650355237.db2.gz UYAKXWWDRQTPEG-UHFFFAOYSA-N -1 1 379.316 1.860 20 0 GDADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2cnc(-c3cccnc3)s2)c1 ZINC000540805522 650370504 /nfs/dbraw/zinc/37/05/04/650370504.db2.gz LOBZQIIYMUQHFU-UHFFFAOYSA-N -1 1 376.419 1.810 20 0 GDADMM O=C(NCC1(c2ccccc2Br)CC1)c1cc(=O)n2[n-]cnc2n1 ZINC000541843401 650393862 /nfs/dbraw/zinc/39/38/62/650393862.db2.gz NRJVAIWRVQCRDD-UHFFFAOYSA-N -1 1 388.225 1.642 20 0 GDADMM C[C@@H](Cc1ccccc1Br)NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000543695998 650428463 /nfs/dbraw/zinc/42/84/63/650428463.db2.gz WJJHFWBYDYXXSH-VIFPVBQESA-N -1 1 376.214 1.541 20 0 GDADMM O=C(c1ccc(I)c([O-])c1)N1CCSC[C@@H]1CCO ZINC000544831184 650446263 /nfs/dbraw/zinc/44/62/63/650446263.db2.gz ULWOMCOBBSPRCK-JTQLQIEISA-N -1 1 393.246 1.937 20 0 GDADMM NC(=O)[C@H]1CCCC[C@H]1NC(=O)c1ccc(I)c([O-])c1 ZINC000544882473 650447737 /nfs/dbraw/zinc/44/77/37/650447737.db2.gz YPIBEJOGKSLUBD-GXSJLCMTSA-N -1 1 388.205 1.771 20 0 GDADMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)c1ccnc(C2CC2)c1 ZINC000545957365 650467121 /nfs/dbraw/zinc/46/71/21/650467121.db2.gz 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O=C([O-])[C@H]1CCCN(CC(=O)NC[C@H](O)c2c(Cl)cccc2Cl)C1 ZINC000911419618 660006664 /nfs/dbraw/zinc/00/66/64/660006664.db2.gz ICLXLBHNEJOCGH-GWCFXTLKSA-N -1 1 375.252 1.940 20 0 GDADMM CSCC[C@H](NC(=O)c1cnc(F)c(Br)c1)c1nn[n-]n1 ZINC000912863119 660057210 /nfs/dbraw/zinc/05/72/10/660057210.db2.gz LTXBLXBUXKPFLT-QMMMGPOBSA-N -1 1 375.227 1.721 20 0 GDADMM O=C(CCSc1nc2ccccc2s1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913493137 660082230 /nfs/dbraw/zinc/08/22/30/660082230.db2.gz CHLRUPSEKYEICP-LLVKDONJSA-N -1 1 376.467 1.892 20 0 GDADMM O=C(COc1ccc(F)cc1Br)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913493490 660082556 /nfs/dbraw/zinc/08/25/56/660082556.db2.gz YQQMTLUGVGRECZ-JTQLQIEISA-N -1 1 386.181 1.080 20 0 GDADMM O=C(CCc1nc2cc(Cl)ccc2s1)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913495254 660083060 /nfs/dbraw/zinc/08/30/60/660083060.db2.gz SWMBMVVXMDYOAM-NSHDSACASA-N -1 1 378.845 1.996 20 0 GDADMM O=C(Cc1ccc(Br)c(Cl)c1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913497531 660083621 /nfs/dbraw/zinc/08/36/21/660083621.db2.gz LHFHUKSWUWMJDN-LLVKDONJSA-N -1 1 386.637 1.758 20 0 GDADMM O=C(Cc1ccc(I)cc1)N1CCC(c2nn[n-]n2)CC1 ZINC000913744805 660095166 /nfs/dbraw/zinc/09/51/66/660095166.db2.gz FVRADGPONWXKIW-UHFFFAOYSA-N -1 1 397.220 1.753 20 0 GDADMM COC(=O)CCC[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000913847944 660100007 /nfs/dbraw/zinc/10/00/07/660100007.db2.gz NTTZDCBXGHKJTH-UHFFFAOYSA-N -1 1 384.223 1.828 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-]C[C@@H]2CN(C)CCO2)c1F ZINC000914016661 660110281 /nfs/dbraw/zinc/11/02/81/660110281.db2.gz CMQFCGQCPXGTCR-SECBINFHSA-N -1 1 397.266 1.206 20 0 GDADMM COc1nn2cc(Br)cnc2c1S(=O)(=O)[N-]C[C@H]1CC1(C)C ZINC000914102364 660116402 /nfs/dbraw/zinc/11/64/02/660116402.db2.gz TYMGJPKLJCCKDL-MRVPVSSYSA-N -1 1 389.275 1.825 20 0 GDADMM COCc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1occc1Br ZINC000914252700 660132032 /nfs/dbraw/zinc/13/20/32/660132032.db2.gz JZMZFWASTISVPF-SECBINFHSA-N -1 1 391.247 1.593 20 0 GDADMM O=S(=O)([N-]C[C@@H]1CN2CCN1CCC2)c1sccc1Br ZINC000394791529 677678171 /nfs/dbraw/zinc/67/81/71/677678171.db2.gz JMBVBDLNOUWEIS-SNVBAGLBSA-N -1 1 380.333 1.179 20 0 GDADMM CC(C)n1cc(Br)cc1C(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC000798148241 677679262 /nfs/dbraw/zinc/67/92/62/677679262.db2.gz UBIDMBFLNFTBMG-UHFFFAOYSA-N -1 1 383.250 1.468 20 0 GDADMM CN1CCN(c2ncccc2CNC(=O)N[C@H](C(=O)[O-])C2CCCCC2)CC1 ZINC000780475622 939126773 /nfs/dbraw/zinc/12/67/73/939126773.db2.gz FQMGRMYGEUYUTI-KRWDZBQOSA-N -1 1 389.500 1.666 20 0 GDADMM COc1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)OCC(=O)[O-])c1 ZINC001611070205 970877367 /nfs/dbraw/zinc/87/73/67/970877367.db2.gz NQFUBZUHKZJYAC-UHFFFAOYSA-N -1 1 381.362 1.443 20 0 GDADMM CC[C@H]1CN(C(=O)c2nccs2)CC[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571261161 945422933 /nfs/dbraw/zinc/42/29/33/945422933.db2.gz BFHWWQRZVAHGRV-WDEREUQCSA-N -1 1 385.457 1.466 20 0 GDADMM CC[C@H]1CN(C(=O)c2nccs2)CC[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571261161 945422941 /nfs/dbraw/zinc/42/29/41/945422941.db2.gz BFHWWQRZVAHGRV-WDEREUQCSA-N -1 1 385.457 1.466 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](NC(=O)c3cncs3)C[C@@H]2C)n1 ZINC001571261187 945425417 /nfs/dbraw/zinc/42/54/17/945425417.db2.gz BJPNACVOMKATOJ-WDEREUQCSA-N -1 1 385.457 1.209 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)c3cncs3)C[C@@H]2C)n1 ZINC001571261187 945425423 /nfs/dbraw/zinc/42/54/23/945425423.db2.gz BJPNACVOMKATOJ-WDEREUQCSA-N -1 1 385.457 1.209 20 0 GDADMM C[C@H](NC(=O)c1ccsn1)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571261560 945427070 /nfs/dbraw/zinc/42/70/70/945427070.db2.gz GNJPOXLDPCBVDN-WDEREUQCSA-N -1 1 385.457 1.148 20 0 GDADMM C[C@H](NC(=O)c1ccsn1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571261560 945427072 /nfs/dbraw/zinc/42/70/72/945427072.db2.gz GNJPOXLDPCBVDN-WDEREUQCSA-N -1 1 385.457 1.148 20 0 GDADMM CC(C)c1ncc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)s1 ZINC001571261669 945429681 /nfs/dbraw/zinc/42/96/81/945429681.db2.gz IELBRZLHMYSQRF-SNVBAGLBSA-N -1 1 385.457 1.563 20 0 GDADMM CC(C)c1ncc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)s1 ZINC001571261669 945429684 /nfs/dbraw/zinc/42/96/84/945429684.db2.gz IELBRZLHMYSQRF-SNVBAGLBSA-N -1 1 385.457 1.563 20 0 GDADMM Cc1nc(C(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)[C@H]2C)sc1C ZINC001571262846 945443451 /nfs/dbraw/zinc/44/34/51/945443451.db2.gz AEHXXIGTTPEGRR-KOLCDFICSA-N -1 1 385.457 1.445 20 0 GDADMM Cc1nc(C(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)[C@H]2C)sc1C ZINC001571262846 945443458 /nfs/dbraw/zinc/44/34/58/945443458.db2.gz AEHXXIGTTPEGRR-KOLCDFICSA-N -1 1 385.457 1.445 20 0 GDADMM C[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CN1C(=O)CCc1nccs1 ZINC001571262803 945443718 /nfs/dbraw/zinc/44/37/18/945443718.db2.gz YLSKMJQSMAKRAQ-WDEREUQCSA-N -1 1 385.457 1.147 20 0 GDADMM C[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CN1C(=O)CCc1nccs1 ZINC001571262803 945443721 /nfs/dbraw/zinc/44/37/21/945443721.db2.gz YLSKMJQSMAKRAQ-WDEREUQCSA-N -1 1 385.457 1.147 20 0 GDADMM Cc1nsc(C)c1C(=O)NCC1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571263310 945456000 /nfs/dbraw/zinc/45/60/00/945456000.db2.gz MMJPDLPALMFUFV-UHFFFAOYSA-N -1 1 385.457 1.351 20 0 GDADMM Cc1nsc(C)c1C(=O)NCC1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571263310 945456008 /nfs/dbraw/zinc/45/60/08/945456008.db2.gz MMJPDLPALMFUFV-UHFFFAOYSA-N -1 1 385.457 1.351 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@H]2CN(C)c2cnc(-c3nnn[n-]3)cn2)ns1 ZINC001571263418 945457290 /nfs/dbraw/zinc/45/72/90/945457290.db2.gz PLWDSFCVKAMRMV-NSHDSACASA-N -1 1 385.457 1.163 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@H]2CN(C)c2cnc(-c3nn[n-]n3)cn2)ns1 ZINC001571263418 945457295 /nfs/dbraw/zinc/45/72/95/945457295.db2.gz PLWDSFCVKAMRMV-NSHDSACASA-N -1 1 385.457 1.163 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)[C@H](C)C2)ns1 ZINC001571263534 945461193 /nfs/dbraw/zinc/46/11/93/945461193.db2.gz SNOPFFQWRDRNHH-KOLCDFICSA-N -1 1 385.457 1.209 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)[C@H](C)C2)ns1 ZINC001571263534 945461199 /nfs/dbraw/zinc/46/11/99/945461199.db2.gz SNOPFFQWRDRNHH-KOLCDFICSA-N -1 1 385.457 1.209 20 0 GDADMM Cc1nsc(N[C@H]2CN(C(=O)c3ccnc(C)n3)C[C@@H]2C)c1-c1nn[n-]n1 ZINC001571263696 945465922 /nfs/dbraw/zinc/46/59/22/945465922.db2.gz WWUMWOZJXMXAIP-UFBFGSQYSA-N -1 1 385.457 1.303 20 0 GDADMM CC(C)CC(=O)N1CCO[C@H](CNc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571265524 945514316 /nfs/dbraw/zinc/51/43/16/945514316.db2.gz LFXHHFRJKQRQAQ-SECBINFHSA-N -1 1 385.881 1.662 20 0 GDADMM CC(C)CC(=O)N1CCO[C@H](CNc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571265524 945514325 /nfs/dbraw/zinc/51/43/25/945514325.db2.gz LFXHHFRJKQRQAQ-SECBINFHSA-N -1 1 385.881 1.662 20 0 GDADMM O=C(c1cc(F)cc(F)c1)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571267365 945568759 /nfs/dbraw/zinc/56/87/59/945568759.db2.gz RWNGYJBNPATABI-ZDUSSCGKSA-N -1 1 386.366 1.652 20 0 GDADMM O=C(c1cc(F)cc(F)c1)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571267365 945568768 /nfs/dbraw/zinc/56/87/68/945568768.db2.gz RWNGYJBNPATABI-ZDUSSCGKSA-N -1 1 386.366 1.652 20 0 GDADMM O=C(Cc1ccc(F)c(F)c1)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571267389 945569328 /nfs/dbraw/zinc/56/93/28/945569328.db2.gz SUQIZUFORINPQY-LLVKDONJSA-N -1 1 386.366 1.190 20 0 GDADMM O=C(Cc1ccc(F)c(F)c1)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571267389 945569334 /nfs/dbraw/zinc/56/93/34/945569334.db2.gz SUQIZUFORINPQY-LLVKDONJSA-N -1 1 386.366 1.190 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cccc(F)c1F ZINC001571267423 945569404 /nfs/dbraw/zinc/56/94/04/945569404.db2.gz UWXDVJMNQIWYKU-JOYOIKCWSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cccc(F)c1F ZINC001571267423 945569408 /nfs/dbraw/zinc/56/94/08/945569408.db2.gz UWXDVJMNQIWYKU-JOYOIKCWSA-N -1 1 386.366 1.650 20 0 GDADMM O=C(N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1)C1(F)CCCCC1 ZINC001571268605 945600255 /nfs/dbraw/zinc/60/02/55/945600255.db2.gz IIFUGRUTUGAKQN-BETUJISGSA-N -1 1 386.435 1.509 20 0 GDADMM O=C(N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1)C1(F)CCCCC1 ZINC001571268605 945600262 /nfs/dbraw/zinc/60/02/62/945600262.db2.gz IIFUGRUTUGAKQN-BETUJISGSA-N -1 1 386.435 1.509 20 0 GDADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)Nc1ccc(N2CCOC2=O)cc1 ZINC001571268862 945606107 /nfs/dbraw/zinc/60/61/07/945606107.db2.gz XYCUVEVFSFOUIL-UHFFFAOYSA-N -1 1 386.397 1.602 20 0 GDADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)Nc1ccc(N2CCOC2=O)cc1 ZINC001571268862 945606109 /nfs/dbraw/zinc/60/61/09/945606109.db2.gz XYCUVEVFSFOUIL-UHFFFAOYSA-N -1 1 386.397 1.602 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NCC[C@H]2CCCCN2C(=O)[C@H]2CCOC2)n1 ZINC001571272210 945657645 /nfs/dbraw/zinc/65/76/45/945657645.db2.gz BBHHKIGLJVDTJY-UONOGXRCSA-N -1 1 386.460 1.185 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NCC[C@H]2CCCCN2C(=O)[C@H]2CCOC2)n1 ZINC001571272210 945657649 /nfs/dbraw/zinc/65/76/49/945657649.db2.gz BBHHKIGLJVDTJY-UONOGXRCSA-N -1 1 386.460 1.185 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCCN(C(=O)C[C@@H]3CCCCO3)C2)n1 ZINC001571272227 945658876 /nfs/dbraw/zinc/65/88/76/945658876.db2.gz BMNXZDICPHMRAT-KBPBESRZSA-N -1 1 386.460 1.327 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCCN(C(=O)C[C@@H]3CCCCO3)C2)n1 ZINC001571272227 945658879 /nfs/dbraw/zinc/65/88/79/945658879.db2.gz BMNXZDICPHMRAT-KBPBESRZSA-N -1 1 386.460 1.327 20 0 GDADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1)c1ccc(Cl)o1 ZINC001571272354 945659619 /nfs/dbraw/zinc/65/96/19/945659619.db2.gz SPDDGZZXUXCSSM-BBBLOLIVSA-N -1 1 386.803 1.443 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCCN(C(=O)CC[C@@H]3CCCO3)C2)n1 ZINC001571272460 945663293 /nfs/dbraw/zinc/66/32/93/945663293.db2.gz FFRJRBWDBLOVLL-KBPBESRZSA-N -1 1 386.460 1.327 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCCN(C(=O)CC[C@@H]3CCCO3)C2)n1 ZINC001571272460 945663296 /nfs/dbraw/zinc/66/32/96/945663296.db2.gz FFRJRBWDBLOVLL-KBPBESRZSA-N -1 1 386.460 1.327 20 0 GDADMM COC1CC(C(=O)N2CCC(CCNc3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001571272665 945667629 /nfs/dbraw/zinc/66/76/29/945667629.db2.gz HLGZOZLVYVMFIQ-UHFFFAOYSA-N -1 1 386.460 1.122 20 0 GDADMM COC1CC(C(=O)N2CCC(CCNc3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001571272665 945667633 /nfs/dbraw/zinc/66/76/33/945667633.db2.gz HLGZOZLVYVMFIQ-UHFFFAOYSA-N -1 1 386.460 1.122 20 0 GDADMM O=C(C1CCCCCC1)N1CCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571272986 945674926 /nfs/dbraw/zinc/67/49/26/945674926.db2.gz MHTXAGSKLWMUJM-AWEZNQCLSA-N -1 1 386.460 1.266 20 0 GDADMM O=C(C1CCCCCC1)N1CCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571272986 945674934 /nfs/dbraw/zinc/67/49/34/945674934.db2.gz MHTXAGSKLWMUJM-AWEZNQCLSA-N -1 1 386.460 1.266 20 0 GDADMM CCc1nc(N[C@@H]2CCCN(C(=O)[C@H]3CCCCO3)C2)cc(-c2nnn[n-]2)n1 ZINC001571273242 945683194 /nfs/dbraw/zinc/68/31/94/945683194.db2.gz TXTSEKWKNRSZFX-TZMCWYRMSA-N -1 1 386.460 1.191 20 0 GDADMM CCc1nc(N[C@@H]2CCCN(C(=O)[C@H]3CCCCO3)C2)cc(-c2nn[n-]n2)n1 ZINC001571273242 945683200 /nfs/dbraw/zinc/68/32/00/945683200.db2.gz TXTSEKWKNRSZFX-TZMCWYRMSA-N -1 1 386.460 1.191 20 0 GDADMM CCc1nc(N[C@H]2CCCN(C(=O)[C@@H]3CCCCO3)C2)cc(-c2nnn[n-]2)n1 ZINC001571273240 945683997 /nfs/dbraw/zinc/68/39/97/945683997.db2.gz TXTSEKWKNRSZFX-JSGCOSHPSA-N -1 1 386.460 1.191 20 0 GDADMM CCc1nc(N[C@H]2CCCN(C(=O)[C@@H]3CCCCO3)C2)cc(-c2nn[n-]n2)n1 ZINC001571273240 945684005 /nfs/dbraw/zinc/68/40/05/945684005.db2.gz TXTSEKWKNRSZFX-JSGCOSHPSA-N -1 1 386.460 1.191 20 0 GDADMM Cc1nc(-c2nn[n-]n2)c(N2CCC(C(=O)NN3C[C@@H]4CCC[C@@H]4C3)CC2)o1 ZINC001571273384 945685478 /nfs/dbraw/zinc/68/54/78/945685478.db2.gz WPDPRHQJDPXVCU-OKILXGFUSA-N -1 1 386.460 1.143 20 0 GDADMM O=C(CC[C@@H]1CCCCO1)N1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571273371 945686875 /nfs/dbraw/zinc/68/68/75/945686875.db2.gz WLMBVMIGWRLMBZ-KGLIPLIRSA-N -1 1 386.460 1.266 20 0 GDADMM O=C(CC[C@@H]1CCCCO1)N1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571273371 945686878 /nfs/dbraw/zinc/68/68/78/945686878.db2.gz WLMBVMIGWRLMBZ-KGLIPLIRSA-N -1 1 386.460 1.266 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@]2(C)CCN(C(=O)[C@H]3CCCOC3)C2)n1 ZINC001571273538 945690839 /nfs/dbraw/zinc/69/08/39/945690839.db2.gz ZIJJEJROESOAET-UGSOOPFHSA-N -1 1 386.460 1.042 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@]2(C)CCN(C(=O)[C@H]3CCCOC3)C2)n1 ZINC001571273538 945690844 /nfs/dbraw/zinc/69/08/44/945690844.db2.gz ZIJJEJROESOAET-UGSOOPFHSA-N -1 1 386.460 1.042 20 0 GDADMM C[C@@H]1CN(C(=O)C[C@@H]2CCCCO2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571273533 945691030 /nfs/dbraw/zinc/69/10/30/945691030.db2.gz ZHPKFXTWQYQANT-MCIONIFRSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H]1CN(C(=O)C[C@@H]2CCCCO2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571273533 945691035 /nfs/dbraw/zinc/69/10/35/945691035.db2.gz ZHPKFXTWQYQANT-MCIONIFRSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CC[C@@H](CC(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)OC1 ZINC001571276560 945731888 /nfs/dbraw/zinc/73/18/88/945731888.db2.gz IMGPVGCPKAEVBL-STQMWFEESA-N -1 1 386.460 1.265 20 0 GDADMM CC1(C)CC[C@@H](CC(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)OC1 ZINC001571276560 945731892 /nfs/dbraw/zinc/73/18/92/945731892.db2.gz IMGPVGCPKAEVBL-STQMWFEESA-N -1 1 386.460 1.265 20 0 GDADMM CC1(C)CN(C(=O)COC2CCCC2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571277511 945742293 /nfs/dbraw/zinc/74/22/93/945742293.db2.gz LCGFKQBSOFGDNF-CQSZACIVSA-N -1 1 386.460 1.265 20 0 GDADMM CC1(C)CN(C(=O)COC2CCCC2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571277511 945742302 /nfs/dbraw/zinc/74/23/02/945742302.db2.gz LCGFKQBSOFGDNF-CQSZACIVSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H]1CC[C@@H](CCC(=O)N2CCCN(c3ccc(-c4nnn[n-]4)nn3)CC2)O1 ZINC001571279666 945785239 /nfs/dbraw/zinc/78/52/39/945785239.db2.gz XULWVCMXVRVTDC-KBPBESRZSA-N -1 1 386.460 1.043 20 0 GDADMM C[C@H]1CC[C@@H](CCC(=O)N2CCCN(c3ccc(-c4nn[n-]n4)nn3)CC2)O1 ZINC001571279666 945785247 /nfs/dbraw/zinc/78/52/47/945785247.db2.gz XULWVCMXVRVTDC-KBPBESRZSA-N -1 1 386.460 1.043 20 0 GDADMM Cc1ncc(C(=O)N[C@@H]2CCCN(c3snc(C)c3-c3nn[n-]n3)[C@@H]2C)[nH]1 ZINC001571281355 945804837 /nfs/dbraw/zinc/80/48/37/945804837.db2.gz GWALOBQWWLRQRO-MWLCHTKSSA-N -1 1 387.473 1.450 20 0 GDADMM CC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573450875 945829994 /nfs/dbraw/zinc/82/99/94/945829994.db2.gz NWJAOCFJVBZFCH-GOEBONIOSA-N -1 1 382.403 1.612 20 0 GDADMM CC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573450875 945830006 /nfs/dbraw/zinc/83/00/06/945830006.db2.gz NWJAOCFJVBZFCH-GOEBONIOSA-N -1 1 382.403 1.612 20 0 GDADMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)c2cc(Cl)c[nH]2)C1 ZINC001571285246 945912860 /nfs/dbraw/zinc/91/28/60/945912860.db2.gz ZWKYRCOOYIRVBK-VHSXEESVSA-N -1 1 387.835 1.601 20 0 GDADMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)c2cc(Cl)c[nH]2)C1 ZINC001571285246 945912862 /nfs/dbraw/zinc/91/28/62/945912862.db2.gz ZWKYRCOOYIRVBK-VHSXEESVSA-N -1 1 387.835 1.601 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](NC(=O)c3sccc3F)C2)n1 ZINC001571286543 945950115 /nfs/dbraw/zinc/95/01/15/945950115.db2.gz KJDKOWDCUZBBND-SECBINFHSA-N -1 1 388.432 1.428 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](NC(=O)c3sccc3F)C2)n1 ZINC001571286543 945950125 /nfs/dbraw/zinc/95/01/25/945950125.db2.gz KJDKOWDCUZBBND-SECBINFHSA-N -1 1 388.432 1.428 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@@H]2CCCN2C(=O)C2(F)CCCC2)n1 ZINC001571289399 946003312 /nfs/dbraw/zinc/00/33/12/946003312.db2.gz BSIUSZRYNBDPOO-ZDUSSCGKSA-N -1 1 388.451 1.675 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@@H]2CCCN2C(=O)C2(F)CCCC2)n1 ZINC001571289399 946003321 /nfs/dbraw/zinc/00/33/21/946003321.db2.gz BSIUSZRYNBDPOO-ZDUSSCGKSA-N -1 1 388.451 1.675 20 0 GDADMM CCCc1cc(C(=O)N[C@@H]2CCN(c3snc(C)c3-c3nn[n-]n3)C2)no1 ZINC001571290124 946027619 /nfs/dbraw/zinc/02/76/19/946027619.db2.gz VQBWZLBDNUAYIF-SNVBAGLBSA-N -1 1 388.457 1.581 20 0 GDADMM CC[C@H]1CN(C(=O)c2nc[nH]n2)CC[C@@H]1Nc1snc(C)c1-c1nn[n-]n1 ZINC001571290114 946028528 /nfs/dbraw/zinc/02/85/28/946028528.db2.gz VMXCJVUMTWXJGM-UWVGGRQHSA-N -1 1 388.461 1.103 20 0 GDADMM CN(Cc1ncc(Br)cn1)C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001571290314 946039529 /nfs/dbraw/zinc/03/95/29/946039529.db2.gz AJGSCJUTIIUAON-UHFFFAOYSA-N -1 1 389.217 1.015 20 0 GDADMM CN(Cc1ncc(Br)cn1)C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001571290314 946039537 /nfs/dbraw/zinc/03/95/37/946039537.db2.gz AJGSCJUTIIUAON-UHFFFAOYSA-N -1 1 389.217 1.015 20 0 GDADMM CN(C(=O)c1ccc(Cl)o1)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571290368 946039604 /nfs/dbraw/zinc/03/96/04/946039604.db2.gz CGEILTQRGRKLGY-UHFFFAOYSA-N -1 1 388.819 1.644 20 0 GDADMM CN(C(=O)c1ccc(Cl)o1)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571290368 946039609 /nfs/dbraw/zinc/03/96/09/946039609.db2.gz CGEILTQRGRKLGY-UHFFFAOYSA-N -1 1 388.819 1.644 20 0 GDADMM CN(C(=O)c1occc1Cl)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571290385 946043285 /nfs/dbraw/zinc/04/32/85/946043285.db2.gz COXNWPJTQYMNBX-UHFFFAOYSA-N -1 1 388.819 1.644 20 0 GDADMM CN(C(=O)c1occc1Cl)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571290385 946043296 /nfs/dbraw/zinc/04/32/96/946043296.db2.gz COXNWPJTQYMNBX-UHFFFAOYSA-N -1 1 388.819 1.644 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1ccoc1Cl ZINC001571290651 946049670 /nfs/dbraw/zinc/04/96/70/946049670.db2.gz KVORYUHIAUNKJO-UWVGGRQHSA-N -1 1 388.819 1.336 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)c2ccc(Cl)o2)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571290680 946051322 /nfs/dbraw/zinc/05/13/22/946051322.db2.gz LPUMRBNFQBNNGE-JTQLQIEISA-N -1 1 388.819 1.502 20 0 GDADMM O=C(N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccc(F)c(Cl)c1 ZINC001571290825 946058266 /nfs/dbraw/zinc/05/82/66/946058266.db2.gz QCTMYIPCPVDZTQ-JTQLQIEISA-N -1 1 388.794 1.458 20 0 GDADMM Cc1nsc(N[C@H]2C[C@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)c1-c1nn[n-]n1 ZINC001571294339 946131761 /nfs/dbraw/zinc/13/17/61/946131761.db2.gz GCGORBURTJDZHS-CUOUOBHDSA-N -1 1 389.485 1.506 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(Nc2cccc(CCC(F)(F)F)c2)n(C)c1=O ZINC000822600715 946135723 /nfs/dbraw/zinc/13/57/23/946135723.db2.gz QNMKCXPSDMDLQB-UHFFFAOYSA-N -1 1 395.345 1.503 20 0 GDADMM O=C(c1c(F)cc(F)cc1F)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571294845 946144910 /nfs/dbraw/zinc/14/49/10/946144910.db2.gz NLXPFXCWRDZGTK-SECBINFHSA-N -1 1 390.329 1.401 20 0 GDADMM O=C(c1c(F)cc(F)cc1F)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571294845 946144916 /nfs/dbraw/zinc/14/49/16/946144916.db2.gz NLXPFXCWRDZGTK-SECBINFHSA-N -1 1 390.329 1.401 20 0 GDADMM O=C(N[C@]12CCC[C@H]1CN(c1ccnc(-c3nn[n-]n3)n1)C2)[C@H]1C[C@@H]1C(F)F ZINC001571296011 946182448 /nfs/dbraw/zinc/18/24/48/946182448.db2.gz MAXWWEGJFGNKBP-YBIKONCISA-N -1 1 390.398 1.033 20 0 GDADMM O=C(Cc1cccc(C2CC2)c1)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571297850 946198076 /nfs/dbraw/zinc/19/80/76/946198076.db2.gz BGSRGQZHGKCFLC-WKILWMFISA-N -1 1 390.451 1.836 20 0 GDADMM O=C(Cc1cccc(C2CC2)c1)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571297850 946198080 /nfs/dbraw/zinc/19/80/80/946198080.db2.gz BGSRGQZHGKCFLC-WKILWMFISA-N -1 1 390.451 1.836 20 0 GDADMM O=C(NCc1cccc2c1CCN(c1nccnc1-c1nnn[n-]1)C2)C1CCC1 ZINC001571297843 946198795 /nfs/dbraw/zinc/19/87/95/946198795.db2.gz BEMPCXNMGXBUOS-UHFFFAOYSA-N -1 1 390.451 1.636 20 0 GDADMM O=C(NCc1cccc2c1CCN(c1nccnc1-c1nn[n-]n1)C2)C1CCC1 ZINC001571297843 946198805 /nfs/dbraw/zinc/19/88/05/946198805.db2.gz BEMPCXNMGXBUOS-UHFFFAOYSA-N -1 1 390.451 1.636 20 0 GDADMM O=C(N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CC[C@@H]1c1ccccc1)C1CC1 ZINC001571297877 946199387 /nfs/dbraw/zinc/19/93/87/946199387.db2.gz BXUGJDYQZJVHLF-NVXWUHKLSA-N -1 1 390.451 1.545 20 0 GDADMM O=C(N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CC[C@@H]1c1ccccc1)C1CC1 ZINC001571297877 946199392 /nfs/dbraw/zinc/19/93/92/946199392.db2.gz BXUGJDYQZJVHLF-NVXWUHKLSA-N -1 1 390.451 1.545 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)[C@H]1C[C@@H]1c1ccccc1 ZINC001571297924 946202314 /nfs/dbraw/zinc/20/23/14/946202314.db2.gz DMAUFZQFHXVMMB-BVUBDWEXSA-N -1 1 390.451 1.767 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)[C@H]1C[C@@H]1c1ccccc1 ZINC001571297924 946202322 /nfs/dbraw/zinc/20/23/22/946202322.db2.gz DMAUFZQFHXVMMB-BVUBDWEXSA-N -1 1 390.451 1.767 20 0 GDADMM Cc1nsc(N(C)C[C@@H]2CCCN2C(=O)c2ccsn2)c1-c1nn[n-]n1 ZINC001571298223 946210215 /nfs/dbraw/zinc/21/02/15/946210215.db2.gz KILCFQIECUEJEF-JTQLQIEISA-N -1 1 390.498 1.829 20 0 GDADMM Cc1nsc(N2C[C@H](NC(=O)c3ccns3)CC[C@@H]2C)c1-c1nn[n-]n1 ZINC001571298279 946212018 /nfs/dbraw/zinc/21/20/18/946212018.db2.gz MGYJNMNRPCIMIF-WCBMZHEXSA-N -1 1 390.498 1.875 20 0 GDADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1)C1C=CC=CC=C1 ZINC001571298231 946212273 /nfs/dbraw/zinc/21/22/73/946212273.db2.gz KLNYHRBAEFUATJ-MQVJKMGUSA-N -1 1 390.451 1.571 20 0 GDADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1)C1C=CC=CC=C1 ZINC001571298231 946212281 /nfs/dbraw/zinc/21/22/81/946212281.db2.gz KLNYHRBAEFUATJ-MQVJKMGUSA-N -1 1 390.451 1.571 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CCN(c3nc(-c4nn[n-]n4)c(Cl)s3)C2)ccn1 ZINC001571299031 946237502 /nfs/dbraw/zinc/23/75/02/946237502.db2.gz HMANMLAHIIIHCB-SNVBAGLBSA-N -1 1 390.860 1.689 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCCN2C(=O)[C@H]2Cc3ccccc32)n1 ZINC001571299245 946243849 /nfs/dbraw/zinc/24/38/49/946243849.db2.gz PPIQKHYEILGXQL-HOCLYGCPSA-N -1 1 390.451 1.708 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCCN2C(=O)[C@H]2Cc3ccccc32)n1 ZINC001571299245 946243857 /nfs/dbraw/zinc/24/38/57/946243857.db2.gz PPIQKHYEILGXQL-HOCLYGCPSA-N -1 1 390.451 1.708 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCCN2C(=O)[C@H]2Cc3ccccc32)n1 ZINC001571299247 946243879 /nfs/dbraw/zinc/24/38/79/946243879.db2.gz PPIQKHYEILGXQL-ZBFHGGJFSA-N -1 1 390.451 1.708 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCCN2C(=O)[C@H]2Cc3ccccc32)n1 ZINC001571299247 946243887 /nfs/dbraw/zinc/24/38/87/946243887.db2.gz PPIQKHYEILGXQL-ZBFHGGJFSA-N -1 1 390.451 1.708 20 0 GDADMM C[C@]1(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CCc2ccccc21 ZINC001571299413 946249432 /nfs/dbraw/zinc/24/94/32/946249432.db2.gz QFHRXWFQTJSSHO-VLIAUNLRSA-N -1 1 390.451 1.256 20 0 GDADMM C[C@]1(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CCc2ccccc21 ZINC001571299413 946249442 /nfs/dbraw/zinc/24/94/42/946249442.db2.gz QFHRXWFQTJSSHO-VLIAUNLRSA-N -1 1 390.451 1.256 20 0 GDADMM O=C1Nc2ccccc2CC[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001571299502 946253500 /nfs/dbraw/zinc/25/35/00/946253500.db2.gz SRLAGHRGTLYRCY-LLVKDONJSA-N -1 1 390.450 1.160 20 0 GDADMM O=C1Nc2ccccc2CC[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001571299502 946253512 /nfs/dbraw/zinc/25/35/12/946253512.db2.gz SRLAGHRGTLYRCY-LLVKDONJSA-N -1 1 390.450 1.160 20 0 GDADMM O=C(N[C@@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nn1)CC2)C1C=CC=CC=C1 ZINC001571299555 946254135 /nfs/dbraw/zinc/25/41/35/946254135.db2.gz WZCBKYXLCIKQFL-MRXNPFEDSA-N -1 1 390.451 1.430 20 0 GDADMM O=C(N[C@@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nn1)CC2)C1C=CC=CC=C1 ZINC001571299555 946254145 /nfs/dbraw/zinc/25/41/45/946254145.db2.gz WZCBKYXLCIKQFL-MRXNPFEDSA-N -1 1 390.451 1.430 20 0 GDADMM C[C@@H]1CN(C(=O)c2cc(Cl)cs2)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571299639 946255865 /nfs/dbraw/zinc/25/58/65/946255865.db2.gz OCQIJNRNCQKZTC-SCZZXKLOSA-N -1 1 390.860 1.944 20 0 GDADMM C[C@@H]1CN(C(=O)c2cc(Cl)cs2)C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571299639 946255871 /nfs/dbraw/zinc/25/58/71/946255871.db2.gz OCQIJNRNCQKZTC-SCZZXKLOSA-N -1 1 390.860 1.944 20 0 GDADMM Cc1nsc(N2CC[C@@H](NC(=O)c3cncc(Cl)c3)C2)c1-c1nn[n-]n1 ZINC001571300216 946274653 /nfs/dbraw/zinc/27/46/53/946274653.db2.gz XDIZFMKNRQLQAR-LLVKDONJSA-N -1 1 390.860 1.689 20 0 GDADMM O=C(NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1)c1ocnc1C(F)F ZINC001571301696 946281509 /nfs/dbraw/zinc/28/15/09/946281509.db2.gz ADAAVIPDLAXCHY-UHFFFAOYSA-N -1 1 391.342 1.203 20 0 GDADMM O=C(NCC1CC(Nc2cncc(-c3nn[n-]n3)n2)C1)c1ocnc1C(F)F ZINC001571301696 946281514 /nfs/dbraw/zinc/28/15/14/946281514.db2.gz ADAAVIPDLAXCHY-UHFFFAOYSA-N -1 1 391.342 1.203 20 0 GDADMM CC(C)C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)o1)CC(=O)O[C@@H]1CCOC1 ZINC001571301967 946288528 /nfs/dbraw/zinc/28/85/28/946288528.db2.gz JZKPYBLGXWHBCQ-QWHCGFSZSA-N -1 1 391.428 1.574 20 0 GDADMM CC(C)C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)o1)CC(=O)O[C@@H]1CCOC1 ZINC001571301967 946288532 /nfs/dbraw/zinc/28/85/32/946288532.db2.gz JZKPYBLGXWHBCQ-QWHCGFSZSA-N -1 1 391.428 1.574 20 0 GDADMM O=C(COc1cccc(NC(=O)C2CC2)c1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823043736 946291561 /nfs/dbraw/zinc/29/15/61/946291561.db2.gz HQHUWOJTIWHPKV-UHFFFAOYSA-N -1 1 394.391 1.732 20 0 GDADMM O=C(COc1cccc(NC(=O)C2CC2)c1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823043736 946291568 /nfs/dbraw/zinc/29/15/68/946291568.db2.gz HQHUWOJTIWHPKV-UHFFFAOYSA-N -1 1 394.391 1.732 20 0 GDADMM CC(=O)N[C@H]1C[C@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)Oc2ccccc21 ZINC001573493014 946295727 /nfs/dbraw/zinc/29/57/27/946295727.db2.gz FTPBHFBQZZFEIZ-LIRRHRJNSA-N -1 1 392.423 1.266 20 0 GDADMM O=C(NC[C@]12CCC[C@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2)c1cccnc1 ZINC001571302541 946307178 /nfs/dbraw/zinc/30/71/78/946307178.db2.gz AOXMQCHMXRUDQJ-DNVCBOLYSA-N -1 1 391.439 1.231 20 0 GDADMM O=C(NC[C@]12CCC[C@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2)c1cccnc1 ZINC001571302541 946307189 /nfs/dbraw/zinc/30/71/89/946307189.db2.gz AOXMQCHMXRUDQJ-DNVCBOLYSA-N -1 1 391.439 1.231 20 0 GDADMM Cc1cnc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[n-]n3)n2)cc1C ZINC001571303101 946326784 /nfs/dbraw/zinc/32/67/84/946326784.db2.gz LNLCQVFMUPDIJW-IPYPFGDCSA-N -1 1 391.439 1.208 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[n-]n3)n2)nc1C ZINC001571303271 946331680 /nfs/dbraw/zinc/33/16/80/946331680.db2.gz MVWLCRMFSUVABC-YUELXQCFSA-N -1 1 391.439 1.208 20 0 GDADMM CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001571303387 946334792 /nfs/dbraw/zinc/33/47/92/946334792.db2.gz LRDRVMFIFBYPHL-JTQLQIEISA-N -1 1 391.432 1.854 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H]3CN(C(=O)c4ccccn4)CC[C@H]32)n1 ZINC001571303484 946336979 /nfs/dbraw/zinc/33/69/79/946336979.db2.gz RTKXLQFMNUNHMH-XJKSGUPXSA-N -1 1 391.439 1.101 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H]3CN(C(=O)c4ccccn4)CC[C@H]32)n1 ZINC001571303484 946336985 /nfs/dbraw/zinc/33/69/85/946336985.db2.gz RTKXLQFMNUNHMH-XJKSGUPXSA-N -1 1 391.439 1.101 20 0 GDADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1)c1c[nH]cc1C1CC1 ZINC001571303561 946338186 /nfs/dbraw/zinc/33/81/86/946338186.db2.gz SVWLUZGEEJNPQL-LYRGGWFBSA-N -1 1 391.439 1.402 20 0 GDADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1)c1c[nH]cc1C1CC1 ZINC001571303561 946338196 /nfs/dbraw/zinc/33/81/96/946338196.db2.gz SVWLUZGEEJNPQL-LYRGGWFBSA-N -1 1 391.439 1.402 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2ccc(-c3nnn[n-]3)nn2)cn1 ZINC001571303670 946344444 /nfs/dbraw/zinc/34/44/44/946344444.db2.gz VIFVDDIKDVOGLQ-CVEARBPZSA-N -1 1 391.439 1.244 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2ccc(-c3nn[n-]n3)nn2)cn1 ZINC001571303670 946344450 /nfs/dbraw/zinc/34/44/50/946344450.db2.gz VIFVDDIKDVOGLQ-CVEARBPZSA-N -1 1 391.439 1.244 20 0 GDADMM CO[C@H](C)C(=O)N1CCC[C@]2(CCN(c3snc(C)c3-c3nn[n-]n3)C2)C1 ZINC001571305434 946363161 /nfs/dbraw/zinc/36/31/61/946363161.db2.gz BCOMQDIPAOYIKV-PXAZEXFGSA-N -1 1 391.501 1.485 20 0 GDADMM Cc1nsc(N2CCC(C)(NC(=O)[C@@H]3C[C@@H](C)CO3)CC2)c1-c1nn[n-]n1 ZINC001571305583 946365681 /nfs/dbraw/zinc/36/56/81/946365681.db2.gz GDYMEDBPEUHNGK-PWSUYJOCSA-N -1 1 391.501 1.532 20 0 GDADMM Cc1nsc(NC2(C)CCN(C(=O)[C@@H]3CCCCO3)CC2)c1-c1nn[n-]n1 ZINC001571305514 946368073 /nfs/dbraw/zinc/36/80/73/946368073.db2.gz CSUWHXOOCNUHQQ-LBPRGKRZSA-N -1 1 391.501 1.994 20 0 GDADMM Cc1coc(C(=O)N[C@@H]2[C@H]3CN(c4nc(Cl)c(-c5nnn[n-]5)s4)C[C@H]32)c1 ZINC001571305681 946373079 /nfs/dbraw/zinc/37/30/79/946373079.db2.gz JGAWDTPRCYSXCZ-MBTKJCJQSA-N -1 1 391.844 1.743 20 0 GDADMM Cc1coc(C(=O)N[C@@H]2[C@H]3CN(c4nc(Cl)c(-c5nn[n-]n5)s4)C[C@H]32)c1 ZINC001571305681 946373091 /nfs/dbraw/zinc/37/30/91/946373091.db2.gz JGAWDTPRCYSXCZ-MBTKJCJQSA-N -1 1 391.844 1.743 20 0 GDADMM Cc1nsc(NC[C@@H]2CCCN(C(=O)C3CCOCC3)C2)c1-c1nn[n-]n1 ZINC001571305691 946373648 /nfs/dbraw/zinc/37/36/48/946373648.db2.gz JMXXIIHUNWTHIP-LBPRGKRZSA-N -1 1 391.501 1.709 20 0 GDADMM Cc1nsc(NC2CCN(C(=O)C[C@@H]3CCCOC3)CC2)c1-c1nn[n-]n1 ZINC001571305849 946377384 /nfs/dbraw/zinc/37/73/84/946377384.db2.gz LULWBNSYAXJPBG-LBPRGKRZSA-N -1 1 391.501 1.851 20 0 GDADMM C[C@@H]1CN(C(=O)c2cccnn2)C[C@H]1Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001571306128 946387289 /nfs/dbraw/zinc/38/72/89/946387289.db2.gz PUOKEOZRAPMWOM-VXNVDRBHSA-N -1 1 391.848 1.339 20 0 GDADMM C[C@@H]1CN(C(=O)c2cccnn2)C[C@H]1Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001571306128 946387305 /nfs/dbraw/zinc/38/73/05/946387305.db2.gz PUOKEOZRAPMWOM-VXNVDRBHSA-N -1 1 391.848 1.339 20 0 GDADMM O=C(N[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1)c1ccccc1O ZINC001571306340 946396298 /nfs/dbraw/zinc/39/62/98/946396298.db2.gz SVNCXCGIWKKKMP-MRVPVSSYSA-N -1 1 391.844 1.691 20 0 GDADMM O=C(N[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1)c1ccccc1O ZINC001571306340 946396311 /nfs/dbraw/zinc/39/63/11/946396311.db2.gz SVNCXCGIWKKKMP-MRVPVSSYSA-N -1 1 391.844 1.691 20 0 GDADMM Cc1nsc(N[C@H]2CN(C(=O)C[C@@H]3CCOC3)CC2(C)C)c1-c1nn[n-]n1 ZINC001571306610 946403881 /nfs/dbraw/zinc/40/38/81/946403881.db2.gz YQAAEVLQDYAEHN-RYUDHWBXSA-N -1 1 391.501 1.707 20 0 GDADMM Cc1nsc(N[C@@H]2CN(C(=O)C[C@@H]3CCOC3)CC2(C)C)c1-c1nn[n-]n1 ZINC001571306608 946404517 /nfs/dbraw/zinc/40/45/17/946404517.db2.gz YQAAEVLQDYAEHN-NWDGAFQWSA-N -1 1 391.501 1.707 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@H](NC(=O)c3scnc3Cl)C2)n1 ZINC001571306565 946405446 /nfs/dbraw/zinc/40/54/46/946405446.db2.gz XLXSDYBBJBCYNS-ZKCHVHJHSA-N -1 1 391.848 1.448 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@H](NC(=O)c3scnc3Cl)C2)n1 ZINC001571306565 946405454 /nfs/dbraw/zinc/40/54/54/946405454.db2.gz XLXSDYBBJBCYNS-ZKCHVHJHSA-N -1 1 391.848 1.448 20 0 GDADMM C[C@@H]1CN(C(=O)C2CC(F)(F)C2)CC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571308051 946429774 /nfs/dbraw/zinc/42/97/74/946429774.db2.gz KSOVDWJNUSKPHH-MNOVXSKESA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H]1CN(C(=O)C2CC(F)(F)C2)CC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571308051 946429781 /nfs/dbraw/zinc/42/97/81/946429781.db2.gz KSOVDWJNUSKPHH-MNOVXSKESA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H]1C[C@@H](NC(=O)CC2CC(F)(F)C2)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571308419 946433040 /nfs/dbraw/zinc/43/30/40/946433040.db2.gz PYVLMURLPYTGMN-JQWIXIFHSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H]1C[C@@H](NC(=O)CC2CC(F)(F)C2)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571308419 946433044 /nfs/dbraw/zinc/43/30/44/946433044.db2.gz PYVLMURLPYTGMN-JQWIXIFHSA-N -1 1 392.414 1.566 20 0 GDADMM O=C([C@@H]1CCC1(F)F)N1CCCCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571308570 946436369 /nfs/dbraw/zinc/43/63/69/946436369.db2.gz RGKUZTWDPKYKRF-NEPJUHHUSA-N -1 1 392.414 1.885 20 0 GDADMM O=C([C@@H]1CCC1(F)F)N1CCCCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571308570 946436371 /nfs/dbraw/zinc/43/63/71/946436371.db2.gz RGKUZTWDPKYKRF-NEPJUHHUSA-N -1 1 392.414 1.885 20 0 GDADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)C[C@@H]2CCC(F)(F)C2)C1 ZINC001571308815 946438214 /nfs/dbraw/zinc/43/82/14/946438214.db2.gz TUKHHFVCFYQVRF-NWDGAFQWSA-N -1 1 392.414 1.519 20 0 GDADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)C[C@@H]2CCC(F)(F)C2)C1 ZINC001571308815 946438219 /nfs/dbraw/zinc/43/82/19/946438219.db2.gz TUKHHFVCFYQVRF-NWDGAFQWSA-N -1 1 392.414 1.519 20 0 GDADMM CC[C@@H]1C[C@H]1C(=O)NC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCC1(F)F ZINC001571309209 946441802 /nfs/dbraw/zinc/44/18/02/946441802.db2.gz XOKYYEWEBUCWEZ-GRYCIOLGSA-N -1 1 392.414 1.281 20 0 GDADMM CC[C@@H]1C[C@H]1C(=O)NC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCC1(F)F ZINC001571309209 946441810 /nfs/dbraw/zinc/44/18/10/946441810.db2.gz XOKYYEWEBUCWEZ-GRYCIOLGSA-N -1 1 392.414 1.281 20 0 GDADMM O=C(N[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CC1)[C@@H]1CCC(F)(F)C1 ZINC001571309636 946449531 /nfs/dbraw/zinc/44/95/31/946449531.db2.gz GFTQQHDMPIAGPB-IJLUTSLNSA-N -1 1 392.414 1.931 20 0 GDADMM O=C(N[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CC1)[C@@H]1CCC(F)(F)C1 ZINC001571309636 946449537 /nfs/dbraw/zinc/44/95/37/946449537.db2.gz GFTQQHDMPIAGPB-IJLUTSLNSA-N -1 1 392.414 1.931 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCN(CC2CC2)c2ccccc21 ZINC000823599845 946450239 /nfs/dbraw/zinc/45/02/39/946450239.db2.gz ADNOTTWNEOMQAE-UHFFFAOYSA-N -1 1 397.464 1.687 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCN(CC2CC2)c2ccccc21 ZINC000823599845 946450246 /nfs/dbraw/zinc/45/02/46/946450246.db2.gz ADNOTTWNEOMQAE-UHFFFAOYSA-N -1 1 397.464 1.687 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)[C@H]1CCC(F)(F)C1 ZINC001571310079 946461951 /nfs/dbraw/zinc/46/19/51/946461951.db2.gz UPQOYJSOSCWNEL-RYUDHWBXSA-N -1 1 392.414 1.567 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)[C@H]1CCC(F)(F)C1 ZINC001571310079 946461957 /nfs/dbraw/zinc/46/19/57/946461957.db2.gz UPQOYJSOSCWNEL-RYUDHWBXSA-N -1 1 392.414 1.567 20 0 GDADMM C[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571314062 946539583 /nfs/dbraw/zinc/53/95/83/946539583.db2.gz ZKBROINGJOIXFM-GOEBONIOSA-N -1 1 392.467 1.938 20 0 GDADMM C[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571314062 946539590 /nfs/dbraw/zinc/53/95/90/946539590.db2.gz ZKBROINGJOIXFM-GOEBONIOSA-N -1 1 392.467 1.938 20 0 GDADMM Cc1ccc(C)c(CC(=O)N2C[C@@H](C)[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571315244 946550176 /nfs/dbraw/zinc/55/01/76/946550176.db2.gz IAINLEWFIFWHOX-PBHICJAKSA-N -1 1 392.467 1.775 20 0 GDADMM Cc1ccc(C)c(CC(=O)N2C[C@@H](C)[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571315244 946550185 /nfs/dbraw/zinc/55/01/85/946550185.db2.gz IAINLEWFIFWHOX-PBHICJAKSA-N -1 1 392.467 1.775 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@](C)(NC(=O)c3cccc(C)c3C)C2)n1 ZINC001571315439 946553477 /nfs/dbraw/zinc/55/34/77/946553477.db2.gz KTSSXCDLFQUUMW-HXUWFJFHSA-N -1 1 392.467 1.981 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@](C)(NC(=O)c3cccc(C)c3C)C2)n1 ZINC001571315439 946553479 /nfs/dbraw/zinc/55/34/79/946553479.db2.gz KTSSXCDLFQUUMW-HXUWFJFHSA-N -1 1 392.467 1.981 20 0 GDADMM Cc1ccc(CC(=O)N2CCC(N(C)c3ccnc(-c4nn[n-]n4)n3)CC2)cc1 ZINC001571315816 946558017 /nfs/dbraw/zinc/55/80/17/946558017.db2.gz OUQVWPNPKZRTKC-UHFFFAOYSA-N -1 1 392.467 1.635 20 0 GDADMM Cc1ccc(CC(=O)N2C[C@@H](C)[C@H](Nc3nccnc3-c3nnn[n-]3)C2)cc1C ZINC001571316058 946563009 /nfs/dbraw/zinc/56/30/09/946563009.db2.gz SUMYFUSJPOIKKP-GDBMZVCRSA-N -1 1 392.467 1.775 20 0 GDADMM Cc1ccc(CC(=O)N2C[C@@H](C)[C@H](Nc3nccnc3-c3nn[n-]n3)C2)cc1C ZINC001571316058 946563016 /nfs/dbraw/zinc/56/30/16/946563016.db2.gz SUMYFUSJPOIKKP-GDBMZVCRSA-N -1 1 392.467 1.775 20 0 GDADMM Cc1ccccc1CC(=O)N[C@@H]1CC[C@@H](C)N(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571317194 946600969 /nfs/dbraw/zinc/60/09/69/946600969.db2.gz XVMJWXRGQMPCOX-GDBMZVCRSA-N -1 1 392.467 1.681 20 0 GDADMM Cc1ccccc1CC(=O)N[C@@H]1CC[C@@H](C)N(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571317194 946600975 /nfs/dbraw/zinc/60/09/75/946600975.db2.gz XVMJWXRGQMPCOX-GDBMZVCRSA-N -1 1 392.467 1.681 20 0 GDADMM CC(C)(O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824173439 946610229 /nfs/dbraw/zinc/61/02/29/946610229.db2.gz ZJCWDDVJONDPHP-UHFFFAOYSA-N -1 1 388.453 1.224 20 0 GDADMM CC(C)(O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824173439 946610237 /nfs/dbraw/zinc/61/02/37/946610237.db2.gz ZJCWDDVJONDPHP-UHFFFAOYSA-N -1 1 388.453 1.224 20 0 GDADMM Cn1ccc(C(=O)N2CC[C@H](CNc3nc(-c4nn[n-]n4)c(Cl)s3)C2)c1 ZINC001571317497 946611653 /nfs/dbraw/zinc/61/16/53/946611653.db2.gz KBFRUPWBVCUFDY-SECBINFHSA-N -1 1 392.876 1.889 20 0 GDADMM CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)c2ccsc2-c2nnn[n-]2)C1 ZINC001573542420 946798008 /nfs/dbraw/zinc/79/80/08/946798008.db2.gz IVPDUYBJXLLLMX-SNVBAGLBSA-N -1 1 386.441 1.630 20 0 GDADMM CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)c2ccsc2-c2nn[n-]n2)C1 ZINC001573542420 946798018 /nfs/dbraw/zinc/79/80/18/946798018.db2.gz IVPDUYBJXLLLMX-SNVBAGLBSA-N -1 1 386.441 1.630 20 0 GDADMM CC(=O)c1ccc2c(c1)CN(S(=O)(=O)c1ccsc1-c1nn[n-]n1)C2 ZINC001573556129 946922131 /nfs/dbraw/zinc/92/21/31/946922131.db2.gz XBKHQVCARUAOCV-UHFFFAOYSA-N -1 1 375.435 1.835 20 0 GDADMM CC1(C)CC[C@H]2C[C@@H](NC(=O)Cn3cnc(-c4nn[n-]n4)n3)c3cccc1c32 ZINC000824801710 946937468 /nfs/dbraw/zinc/93/74/68/946937468.db2.gz GXCACAZRZJDWIH-SMDDNHRTSA-N -1 1 378.440 1.874 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)c2[nH]c(C)c(C(C)=O)c2CC)c1-c1nn[n-]n1 ZINC000825569856 947228818 /nfs/dbraw/zinc/22/88/18/947228818.db2.gz BNZLTOIYNVOUGG-UHFFFAOYSA-N -1 1 399.411 1.524 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H](C)c1ccccc1F ZINC001573586195 947280779 /nfs/dbraw/zinc/28/07/79/947280779.db2.gz LNJSHKBRGMZPHT-VXGBXAGGSA-N -1 1 384.419 1.280 20 0 GDADMM C=C/C(C)=C/CC(=O)N(CCC)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573318151 947303333 /nfs/dbraw/zinc/30/33/33/947303333.db2.gz QRIRDGBTRFNNOF-SXSSENBOSA-N -1 1 382.472 1.996 20 0 GDADMM C=C/C(C)=C/CC(=O)N(CCC)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573318151 947303346 /nfs/dbraw/zinc/30/33/46/947303346.db2.gz QRIRDGBTRFNNOF-SXSSENBOSA-N -1 1 382.472 1.996 20 0 GDADMM C=C/C(C)=C/CC(=O)NC[C@H]1CCCCN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573319147 947324763 /nfs/dbraw/zinc/32/47/63/947324763.db2.gz UVYPYEGULMLAIC-XETPBLJFSA-N -1 1 382.472 1.963 20 0 GDADMM C=C/C(C)=C/CC(=O)NC[C@H]1CCCCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573319147 947324776 /nfs/dbraw/zinc/32/47/76/947324776.db2.gz UVYPYEGULMLAIC-XETPBLJFSA-N -1 1 382.472 1.963 20 0 GDADMM C[C@@H](C(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1)[C@@H]1CCCO1 ZINC001573592048 947325037 /nfs/dbraw/zinc/32/50/37/947325037.db2.gz IHDZOVLIEJLXEG-RISCZKNCSA-N -1 1 376.486 1.386 20 0 GDADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1cncc(-c2nnn[n-]2)n1)n1cccn1 ZINC001573592553 947340007 /nfs/dbraw/zinc/34/00/07/947340007.db2.gz KIBPFRLHFXMHRL-LBPRGKRZSA-N -1 1 384.448 1.011 20 0 GDADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1cncc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573592553 947340025 /nfs/dbraw/zinc/34/00/25/947340025.db2.gz KIBPFRLHFXMHRL-LBPRGKRZSA-N -1 1 384.448 1.011 20 0 GDADMM C[C@@H](C(=O)N(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)c1ccco1 ZINC001573593595 947373733 /nfs/dbraw/zinc/37/37/33/947373733.db2.gz KXPIBFYTOUNXQY-BXUZGUMPSA-N -1 1 382.428 1.702 20 0 GDADMM C[C@@H](C(=O)N(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)c1ccco1 ZINC001573593595 947373746 /nfs/dbraw/zinc/37/37/46/947373746.db2.gz KXPIBFYTOUNXQY-BXUZGUMPSA-N -1 1 382.428 1.702 20 0 GDADMM C[C@H](C(=O)N(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)n1cccc1 ZINC001573593874 947381610 /nfs/dbraw/zinc/38/16/10/947381610.db2.gz MHHULWPPGPGRJE-OCCSQVGLSA-N -1 1 381.444 1.368 20 0 GDADMM C[C@H](C(=O)N(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)n1cccc1 ZINC001573593874 947381622 /nfs/dbraw/zinc/38/16/22/947381622.db2.gz MHHULWPPGPGRJE-OCCSQVGLSA-N -1 1 381.444 1.368 20 0 GDADMM C[C@H](C(=O)N(C)CCN(C)c1nccnc1-c1nnn[n-]1)c1ccccc1F ZINC001573601832 947465666 /nfs/dbraw/zinc/46/56/66/947465666.db2.gz BQLGFZGYFLWCQR-LBPRGKRZSA-N -1 1 384.419 1.494 20 0 GDADMM C[C@H](C(=O)N(C)CCN(C)c1nccnc1-c1nn[n-]n1)c1ccccc1F ZINC001573601832 947465672 /nfs/dbraw/zinc/46/56/72/947465672.db2.gz BQLGFZGYFLWCQR-LBPRGKRZSA-N -1 1 384.419 1.494 20 0 GDADMM COCCc1nc2cc(NC(=O)Cc3noc(C)c3-c3nnn[n-]3)ccc2o1 ZINC000826163311 947512388 /nfs/dbraw/zinc/51/23/88/947512388.db2.gz OPDLUDPBTGJWHS-UHFFFAOYSA-N -1 1 383.368 1.674 20 0 GDADMM COCCc1nc2cc(NC(=O)Cc3noc(C)c3-c3nn[n-]n3)ccc2o1 ZINC000826163311 947512397 /nfs/dbraw/zinc/51/23/97/947512397.db2.gz OPDLUDPBTGJWHS-UHFFFAOYSA-N -1 1 383.368 1.674 20 0 GDADMM C[C@H](C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1)c1cccc(Cl)c1 ZINC001573605358 947528294 /nfs/dbraw/zinc/52/82/94/947528294.db2.gz WRDVQEDZEYLFSB-NSHDSACASA-N -1 1 386.847 1.984 20 0 GDADMM C[C@H](C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1)c1cccc(Cl)c1 ZINC001573605358 947528307 /nfs/dbraw/zinc/52/83/07/947528307.db2.gz WRDVQEDZEYLFSB-NSHDSACASA-N -1 1 386.847 1.984 20 0 GDADMM COc1cc(CN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)C2CC2)ccc1O ZINC000826179025 947552843 /nfs/dbraw/zinc/55/28/43/947552843.db2.gz VNCXSUQVJLXXLC-UHFFFAOYSA-N -1 1 384.396 1.611 20 0 GDADMM COc1cc(CN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)C2CC2)ccc1O ZINC000826179025 947552849 /nfs/dbraw/zinc/55/28/49/947552849.db2.gz VNCXSUQVJLXXLC-UHFFFAOYSA-N -1 1 384.396 1.611 20 0 GDADMM COc1cc(CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)c2ccccc2n1 ZINC000826179143 947554459 /nfs/dbraw/zinc/55/44/59/947554459.db2.gz ARAFTXGKQNWNSU-UHFFFAOYSA-N -1 1 379.380 1.579 20 0 GDADMM COc1cc(CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)c2ccccc2n1 ZINC000826179143 947554469 /nfs/dbraw/zinc/55/44/69/947554469.db2.gz ARAFTXGKQNWNSU-UHFFFAOYSA-N -1 1 379.380 1.579 20 0 GDADMM COc1cc(F)c([C@@H](C)NC(=O)Cc2noc(C)c2-c2nnn[n-]2)cc1OC ZINC000826179742 947555104 /nfs/dbraw/zinc/55/51/04/947555104.db2.gz CBBIBQBDUKKKNW-MRVPVSSYSA-N -1 1 390.375 1.739 20 0 GDADMM COc1cc(F)c([C@@H](C)NC(=O)Cc2noc(C)c2-c2nn[n-]n2)cc1OC ZINC000826179742 947555114 /nfs/dbraw/zinc/55/51/14/947555114.db2.gz CBBIBQBDUKKKNW-MRVPVSSYSA-N -1 1 390.375 1.739 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1)C(C)(F)F ZINC001573614470 947586079 /nfs/dbraw/zinc/58/60/79/947586079.db2.gz FUKRGQYKHUVTLY-WDEREUQCSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1)C(C)(F)F ZINC001573614470 947586087 /nfs/dbraw/zinc/58/60/87/947586087.db2.gz FUKRGQYKHUVTLY-WDEREUQCSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C(C)(C)C1)C(C)(F)F ZINC001573614522 947588848 /nfs/dbraw/zinc/58/88/48/947588848.db2.gz MSQOJDPSPNSCMV-GXSJLCMTSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C(C)(C)C1)C(C)(F)F ZINC001573614522 947588855 /nfs/dbraw/zinc/58/88/55/947588855.db2.gz MSQOJDPSPNSCMV-GXSJLCMTSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@H](C(=O)N1CC[C@@](C)(CNc2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001573614774 947593803 /nfs/dbraw/zinc/59/38/03/947593803.db2.gz GZBODWKHQIEPJF-SGTLLEGYSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@H](C(=O)N1CC[C@@](C)(CNc2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001573614774 947593812 /nfs/dbraw/zinc/59/38/12/947593812.db2.gz GZBODWKHQIEPJF-SGTLLEGYSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573614811 947594039 /nfs/dbraw/zinc/59/40/39/947594039.db2.gz HMYIRTINTTZTKU-NEPJUHHUSA-N -1 1 384.469 1.204 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001573615136 947599571 /nfs/dbraw/zinc/59/95/71/947599571.db2.gz HTVSMQXVYXCDQW-ZIAGYGMSSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CCNc2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001573615136 947599580 /nfs/dbraw/zinc/59/95/80/947599580.db2.gz HTVSMQXVYXCDQW-ZIAGYGMSSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001573615134 947600689 /nfs/dbraw/zinc/60/06/89/947600689.db2.gz HTVSMQXVYXCDQW-KGLIPLIRSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001573615134 947600692 /nfs/dbraw/zinc/60/06/92/947600692.db2.gz HTVSMQXVYXCDQW-KGLIPLIRSA-N -1 1 381.444 1.370 20 0 GDADMM C=Cc1ccc(C(=O)N(C)CCN(C)c2nc(C)cc(-c3nnn[n-]3)n2)cc1 ZINC001573350655 947602090 /nfs/dbraw/zinc/60/20/90/947602090.db2.gz DABLMVKDCPVKHL-UHFFFAOYSA-N -1 1 378.440 1.817 20 0 GDADMM C=Cc1ccc(C(=O)N(C)CCN(C)c2nc(C)cc(-c3nn[n-]n3)n2)cc1 ZINC001573350655 947602097 /nfs/dbraw/zinc/60/20/97/947602097.db2.gz DABLMVKDCPVKHL-UHFFFAOYSA-N -1 1 378.440 1.817 20 0 GDADMM C[C@H](C(=O)N1CC[C@](C)(CNc2ccc(-c3nnn[n-]3)nn2)C1)c1ccco1 ZINC001573615598 947606344 /nfs/dbraw/zinc/60/63/44/947606344.db2.gz SXYRWBWETZOIPC-KPZWWZAWSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@H](C(=O)N1CC[C@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C1)c1ccco1 ZINC001573615598 947606350 /nfs/dbraw/zinc/60/63/50/947606350.db2.gz SXYRWBWETZOIPC-KPZWWZAWSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CN(C)c2ccnc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573615703 947610180 /nfs/dbraw/zinc/61/01/80/947610180.db2.gz JUUIBBBCZZSPGY-ZIAGYGMSSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](C(=O)N1CCC(C)(Nc2nccnc2-c2nnn[n-]2)CC1)n1cccc1 ZINC001573616129 947617468 /nfs/dbraw/zinc/61/74/68/947617468.db2.gz LQCVHASQGMMYRA-CYBMUJFWSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@H](C(=O)N1CCC(C)(Nc2nccnc2-c2nn[n-]n2)CC1)n1cccc1 ZINC001573616129 947617474 /nfs/dbraw/zinc/61/74/74/947617474.db2.gz LQCVHASQGMMYRA-CYBMUJFWSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@H](C(=O)N1CCC(N(C)c2ccc(-c3nnn[n-]3)nn2)CC1)C(C)(F)F ZINC001573616554 947622866 /nfs/dbraw/zinc/62/28/66/947622866.db2.gz JHWNJDLIONVWLS-SNVBAGLBSA-N -1 1 380.403 1.375 20 0 GDADMM C[C@H](C(=O)N1CCC(N(C)c2ccc(-c3nn[n-]n3)nn2)CC1)C(C)(F)F ZINC001573616554 947622870 /nfs/dbraw/zinc/62/28/70/947622870.db2.gz JHWNJDLIONVWLS-SNVBAGLBSA-N -1 1 380.403 1.375 20 0 GDADMM C=Cc1ccc(C(=O)NC2CC(CNc3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001573354564 947633344 /nfs/dbraw/zinc/63/33/44/947633344.db2.gz CXAUIHQESXDXLD-UHFFFAOYSA-N -1 1 376.424 1.920 20 0 GDADMM C=Cc1ccc(C(=O)NC2CC(CNc3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573354564 947633354 /nfs/dbraw/zinc/63/33/54/947633354.db2.gz CXAUIHQESXDXLD-UHFFFAOYSA-N -1 1 376.424 1.920 20 0 GDADMM C=Cc1ccc(C(=O)N[C@H]2CCN(c3cc(-c4nnn[n-]4)nc(CC)n3)C2)cc1 ZINC001573354550 947633703 /nfs/dbraw/zinc/63/37/03/947633703.db2.gz CRAUKVXISLTIKB-HNNXBMFYSA-N -1 1 390.451 1.871 20 0 GDADMM C=Cc1ccc(C(=O)N[C@H]2CCN(c3cc(-c4nn[n-]n4)nc(CC)n3)C2)cc1 ZINC001573354550 947633711 /nfs/dbraw/zinc/63/37/11/947633711.db2.gz CRAUKVXISLTIKB-HNNXBMFYSA-N -1 1 390.451 1.871 20 0 GDADMM C[C@@H](C(=O)N1CCC(C)(Nc2cnc(-c3nnn[n-]3)cn2)CC1)[C@H]1CCCO1 ZINC001573617891 947642666 /nfs/dbraw/zinc/64/26/66/947642666.db2.gz QDXDAFLTHSZKBV-TZMCWYRMSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H](C(=O)N1CCC(C)(Nc2cnc(-c3nn[n-]n3)cn2)CC1)[C@H]1CCCO1 ZINC001573617891 947642675 /nfs/dbraw/zinc/64/26/75/947642675.db2.gz QDXDAFLTHSZKBV-TZMCWYRMSA-N -1 1 386.460 1.265 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C2CC2)cc1 ZINC001573356246 947648372 /nfs/dbraw/zinc/64/83/72/947648372.db2.gz VWBAQTJECKXPJJ-MRXNPFEDSA-N -1 1 376.424 1.920 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C2CC2)cc1 ZINC001573356246 947648379 /nfs/dbraw/zinc/64/83/79/947648379.db2.gz VWBAQTJECKXPJJ-MRXNPFEDSA-N -1 1 376.424 1.920 20 0 GDADMM CS[C@@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccccc1 ZINC000826224432 947661753 /nfs/dbraw/zinc/66/17/53/947661753.db2.gz DEDFLPHMMSJXTD-CQSZACIVSA-N -1 1 386.485 1.667 20 0 GDADMM CS[C@@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccccc1 ZINC000826224432 947661763 /nfs/dbraw/zinc/66/17/63/947661763.db2.gz DEDFLPHMMSJXTD-CQSZACIVSA-N -1 1 386.485 1.667 20 0 GDADMM C[C@@H](C(=O)N1CCC(N(C)c2cncc(-c3nnn[n-]3)n2)CC1)C(F)(F)F ZINC001573619780 947670117 /nfs/dbraw/zinc/67/01/17/947670117.db2.gz XURWGIZDHLDISV-VIFPVBQESA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H](C(=O)N1CCC(N(C)c2cncc(-c3nn[n-]n3)n2)CC1)C(F)(F)F ZINC001573619780 947670127 /nfs/dbraw/zinc/67/01/27/947670127.db2.gz XURWGIZDHLDISV-VIFPVBQESA-N -1 1 384.366 1.282 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CC[C@H](Cc3ccncc3)C2)cc1-c1nn[n-]n1 ZINC000826229360 947672430 /nfs/dbraw/zinc/67/24/30/947672430.db2.gz BAJMZONGDFIMJH-GFCCVEGCSA-N -1 1 397.464 1.789 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@](C)(CNc2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001573619959 947673841 /nfs/dbraw/zinc/67/38/41/947673841.db2.gz XTSCFSAIRRTSME-XPTSAGLGSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@](C)(CNc2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573619959 947673853 /nfs/dbraw/zinc/67/38/53/947673853.db2.gz XTSCFSAIRRTSME-XPTSAGLGSA-N -1 1 384.366 1.506 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCCc1ccc(CO)cc1 ZINC000826232926 947682318 /nfs/dbraw/zinc/68/23/18/947682318.db2.gz NIZIGTHFMHTAPM-UHFFFAOYSA-N -1 1 396.451 1.368 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)O[C@@H](C)CCn1cccn1 ZINC000826233218 947685091 /nfs/dbraw/zinc/68/50/91/947685091.db2.gz YKGBAXLFKGBDBG-NSHDSACASA-N -1 1 385.428 1.735 20 0 GDADMM C[C@@H](C(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)c1cccs1 ZINC001573626271 947705583 /nfs/dbraw/zinc/70/55/83/947705583.db2.gz SJYWXLIQQZQICN-LLVKDONJSA-N -1 1 384.469 1.347 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cccc(F)c1 ZINC001573626556 947711648 /nfs/dbraw/zinc/71/16/48/947711648.db2.gz VHCMLDPOJPTBLZ-SMDDNHRTSA-N -1 1 382.403 1.034 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573627501 947724473 /nfs/dbraw/zinc/72/44/73/947724473.db2.gz CQXPYWQPPWPFQB-HIFRSBDPSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](C(=O)N1CC[C@@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1)C(C)(C)C ZINC001573627576 947726620 /nfs/dbraw/zinc/72/66/20/947726620.db2.gz AUAGVQLVNSXJMX-BFUOFWGJSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](C(=O)N1CC[C@@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1)C(C)(C)C ZINC001573627576 947726640 /nfs/dbraw/zinc/72/66/40/947726640.db2.gz AUAGVQLVNSXJMX-BFUOFWGJSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1)c1ccco1 ZINC001573627849 947736836 /nfs/dbraw/zinc/73/68/36/947736836.db2.gz FXMQJLQFLWMHCX-OLZOCXBDSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1)c1ccco1 ZINC001573627849 947736844 /nfs/dbraw/zinc/73/68/44/947736844.db2.gz FXMQJLQFLWMHCX-OLZOCXBDSA-N -1 1 382.428 1.846 20 0 GDADMM CC(=O)[C@H]1CC(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)=NN1c1ccccc1 ZINC001573367167 947756153 /nfs/dbraw/zinc/75/61/53/947756153.db2.gz YIQBBTQDWHLCHR-QGZVFWFLSA-N -1 1 390.407 1.102 20 0 GDADMM CC(=O)[C@H]1CC(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)=NN1c1ccccc1 ZINC001573367167 947756158 /nfs/dbraw/zinc/75/61/58/947756158.db2.gz YIQBBTQDWHLCHR-QGZVFWFLSA-N -1 1 390.407 1.102 20 0 GDADMM C[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)C1CCC1 ZINC001573628695 947762092 /nfs/dbraw/zinc/76/20/92/947762092.db2.gz JLAJDALTXDUKMF-CFVMTHIKSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)C1CCC1 ZINC001573628695 947762096 /nfs/dbraw/zinc/76/20/96/947762096.db2.gz JLAJDALTXDUKMF-CFVMTHIKSA-N -1 1 382.472 1.663 20 0 GDADMM CC(C(=O)N1CC[C@H]2[C@@H](CCN2c2ccc(-c3nnn[n-]3)nn2)C1)=C1CCC1 ZINC001573628766 947763817 /nfs/dbraw/zinc/76/38/17/947763817.db2.gz JWBNQFPYBJVUIP-HOCLYGCPSA-N -1 1 380.456 1.584 20 0 GDADMM CC(C(=O)N1CC[C@H]2[C@@H](CCN2c2ccc(-c3nn[n-]n3)nn2)C1)=C1CCC1 ZINC001573628766 947763823 /nfs/dbraw/zinc/76/38/23/947763823.db2.gz JWBNQFPYBJVUIP-HOCLYGCPSA-N -1 1 380.456 1.584 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1)C(C)(C)C ZINC001573628825 947765967 /nfs/dbraw/zinc/76/59/67/947765967.db2.gz KNEPYKWGFQCXOD-MJBXVCDLSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1)C(C)(C)C ZINC001573628825 947765972 /nfs/dbraw/zinc/76/59/72/947765972.db2.gz KNEPYKWGFQCXOD-MJBXVCDLSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](CN(C)c2ccnc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573629248 947775062 /nfs/dbraw/zinc/77/50/62/947775062.db2.gz MZDSLIGLDQSLKH-KBPBESRZSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001573629485 947779264 /nfs/dbraw/zinc/77/92/64/947779264.db2.gz ULNRAMMGHCPRSS-ZJUUUORDSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001573629485 947779267 /nfs/dbraw/zinc/77/92/67/947779267.db2.gz ULNRAMMGHCPRSS-ZJUUUORDSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](C(=O)N1CCCCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573629390 947780326 /nfs/dbraw/zinc/78/03/26/947780326.db2.gz SSBJOCAYGNZTHW-DZGCQCFKSA-N -1 1 384.488 1.698 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]2[C@@H]1CCN2c1nccnc1-c1nnn[n-]1)C1CCC1 ZINC001573629780 947783375 /nfs/dbraw/zinc/78/33/75/947783375.db2.gz VNLDCVWGUHXXAD-QEJZJMRPSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]2[C@@H]1CCN2c1nccnc1-c1nn[n-]n1)C1CCC1 ZINC001573629780 947783383 /nfs/dbraw/zinc/78/33/83/947783383.db2.gz VNLDCVWGUHXXAD-QEJZJMRPSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001573629709 947784412 /nfs/dbraw/zinc/78/44/12/947784412.db2.gz PJLZPTAPEIKZTB-VHSXEESVSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573629709 947784416 /nfs/dbraw/zinc/78/44/16/947784416.db2.gz PJLZPTAPEIKZTB-VHSXEESVSA-N -1 1 384.366 1.282 20 0 GDADMM CC(=O)CCCC(=O)N[C@@]1(C)CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573373475 947795330 /nfs/dbraw/zinc/79/53/30/947795330.db2.gz CUPOXBMOPVCPOY-INIZCTEOSA-N -1 1 377.474 1.476 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](CNc2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001573631752 947804099 /nfs/dbraw/zinc/80/40/99/947804099.db2.gz WJKBRUGOFWTMDL-UONOGXRCSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](CNc2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001573631752 947804106 /nfs/dbraw/zinc/80/41/06/947804106.db2.gz WJKBRUGOFWTMDL-UONOGXRCSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001573632002 947808480 /nfs/dbraw/zinc/80/84/80/947808480.db2.gz XWMOFFHVIIMZMU-CHWSQXEVSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001573632002 947808488 /nfs/dbraw/zinc/80/84/88/947808488.db2.gz XWMOFFHVIIMZMU-CHWSQXEVSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@]2(C1)CCCN(c1ccc(-c3nnn[n-]3)nn1)C2)C1CC1 ZINC001573632018 947808873 /nfs/dbraw/zinc/80/88/73/947808873.db2.gz XZJFXHOSRSTZMY-YJYMSZOUSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@]2(C1)CCCN(c1ccc(-c3nn[n-]n3)nn1)C2)C1CC1 ZINC001573632018 947808885 /nfs/dbraw/zinc/80/88/85/947808885.db2.gz XZJFXHOSRSTZMY-YJYMSZOUSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1)C(C)(F)F ZINC001573632111 947811089 /nfs/dbraw/zinc/81/10/89/947811089.db2.gz ZCHZAHRIQFTXFU-APPDUMDISA-N -1 1 392.414 1.377 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1)C(C)(F)F ZINC001573632111 947811098 /nfs/dbraw/zinc/81/10/98/947811098.db2.gz ZCHZAHRIQFTXFU-APPDUMDISA-N -1 1 392.414 1.377 20 0 GDADMM CC(=O)CCCC(=O)N1CCC(N(C)c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573375676 947823461 /nfs/dbraw/zinc/82/34/61/947823461.db2.gz TVGQDTUETZTRFL-UHFFFAOYSA-N -1 1 386.460 1.152 20 0 GDADMM CC(=O)CCCC(=O)N1CCC(N(C)c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573375676 947823470 /nfs/dbraw/zinc/82/34/70/947823470.db2.gz TVGQDTUETZTRFL-UHFFFAOYSA-N -1 1 386.460 1.152 20 0 GDADMM CC(=O)CCCC(=O)N1CCC(CN(C)c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573375631 947823780 /nfs/dbraw/zinc/82/37/80/947823780.db2.gz SMFLTGHPXOVLMA-UHFFFAOYSA-N -1 1 386.460 1.091 20 0 GDADMM CC(=O)CCCC(=O)N1CCC(CN(C)c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573375631 947823786 /nfs/dbraw/zinc/82/37/86/947823786.db2.gz SMFLTGHPXOVLMA-UHFFFAOYSA-N -1 1 386.460 1.091 20 0 GDADMM CNS(=O)(=O)c1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000327920316 971434766 /nfs/dbraw/zinc/43/47/66/971434766.db2.gz LIRWUZJZFUJZFD-UHFFFAOYSA-N -1 1 384.435 1.402 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ccsc1 ZINC001573638044 947831527 /nfs/dbraw/zinc/83/15/27/947831527.db2.gz ZKTCLHJNYNQWCO-WCQYABFASA-N -1 1 384.469 1.925 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ccsc1 ZINC001573638044 947831540 /nfs/dbraw/zinc/83/15/40/947831540.db2.gz ZKTCLHJNYNQWCO-WCQYABFASA-N -1 1 384.469 1.925 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(C)c(N3CCOC3=O)c2)c1-c1nnn[n-]1 ZINC000826290988 947847166 /nfs/dbraw/zinc/84/71/66/947847166.db2.gz KDAUCXGFMIYSNP-UHFFFAOYSA-N -1 1 383.368 1.609 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(C)c(N3CCOC3=O)c2)c1-c1nn[n-]n1 ZINC000826290988 947847175 /nfs/dbraw/zinc/84/71/75/947847175.db2.gz KDAUCXGFMIYSNP-UHFFFAOYSA-N -1 1 383.368 1.609 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)c1-c1nnn[n-]1 ZINC000826290906 947847513 /nfs/dbraw/zinc/84/75/13/947847513.db2.gz GLVDNACDSHNQGG-UHFFFAOYSA-N -1 1 376.398 1.056 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)c1-c1nn[n-]n1 ZINC000826290906 947847518 /nfs/dbraw/zinc/84/75/18/947847518.db2.gz GLVDNACDSHNQGG-UHFFFAOYSA-N -1 1 376.398 1.056 20 0 GDADMM C[C@@H](C(=O)N1CCO[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)C1CCCC1 ZINC001573641640 947857607 /nfs/dbraw/zinc/85/76/07/947857607.db2.gz MKQUZSOCKKMBOH-TZMCWYRMSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](C(=O)N1CCO[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573641640 947857614 /nfs/dbraw/zinc/85/76/14/947857614.db2.gz MKQUZSOCKKMBOH-TZMCWYRMSA-N -1 1 386.460 1.122 20 0 GDADMM CC(=O)CCCC(=O)NC[C@H]1CCCCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001573381146 947868362 /nfs/dbraw/zinc/86/83/62/947868362.db2.gz OSQQWVGJAZKQSV-CQSZACIVSA-N -1 1 386.460 1.281 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)[C@H](C)C1)C1CCCC1 ZINC001573647552 947896036 /nfs/dbraw/zinc/89/60/36/947896036.db2.gz OVRNBCPDTVFOHS-UMVBOHGHSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)[C@H](C)C1)C1CCCC1 ZINC001573647552 947896047 /nfs/dbraw/zinc/89/60/47/947896047.db2.gz OVRNBCPDTVFOHS-UMVBOHGHSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)[C@H](C)C1)C(F)(F)F ZINC001573647737 947901988 /nfs/dbraw/zinc/90/19/88/947901988.db2.gz SPGVACCVEAAVGT-OPRDCNLKSA-N -1 1 384.366 1.362 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)[C@H](C)C1)C(F)(F)F ZINC001573647737 947901994 /nfs/dbraw/zinc/90/19/94/947901994.db2.gz SPGVACCVEAAVGT-OPRDCNLKSA-N -1 1 384.366 1.362 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1)c1cccs1 ZINC001573650762 947913785 /nfs/dbraw/zinc/91/37/85/947913785.db2.gz DVSYPZXLZBBWPO-WOPDTQHZSA-N -1 1 382.453 1.311 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1)c1cccs1 ZINC001573650762 947913791 /nfs/dbraw/zinc/91/37/91/947913791.db2.gz DVSYPZXLZBBWPO-WOPDTQHZSA-N -1 1 382.453 1.311 20 0 GDADMM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1nc(-c2nn[n-]n2)c(Cl)s1)C1CC1 ZINC001573651692 947924165 /nfs/dbraw/zinc/92/41/65/947924165.db2.gz OYXXUUXCCDNAJJ-HGNGGELXSA-N -1 1 379.877 1.812 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1)c1ccco1 ZINC001573651977 947925093 /nfs/dbraw/zinc/92/50/93/947925093.db2.gz SOBYRXSCHAOGIM-MJBXVCDLSA-N -1 1 394.439 1.338 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1)c1ccco1 ZINC001573651977 947925099 /nfs/dbraw/zinc/92/50/99/947925099.db2.gz SOBYRXSCHAOGIM-MJBXVCDLSA-N -1 1 394.439 1.338 20 0 GDADMM Cc1cn2c(CN(C)C(=O)Cc3noc(C)c3-c3nnn[n-]3)c(C)nc2s1 ZINC000826317130 947925412 /nfs/dbraw/zinc/92/54/12/947925412.db2.gz OGCQHINNOFDIEN-UHFFFAOYSA-N -1 1 386.441 1.690 20 0 GDADMM Cc1cn2c(CN(C)C(=O)Cc3noc(C)c3-c3nn[n-]n3)c(C)nc2s1 ZINC000826317130 947925418 /nfs/dbraw/zinc/92/54/18/947925418.db2.gz OGCQHINNOFDIEN-UHFFFAOYSA-N -1 1 386.441 1.690 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CCCC1)C1CCC1 ZINC001573653278 947955241 /nfs/dbraw/zinc/95/52/41/947955241.db2.gz KIKLBEZAGZUBAJ-DOMZBBRYSA-N -1 1 384.488 1.602 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C(C)(C)C)n1cccn1 ZINC001573653275 947955329 /nfs/dbraw/zinc/95/53/29/947955329.db2.gz KHRPXMOEXMXAGG-DGCLKSJQSA-N -1 1 384.448 1.057 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C(C)(C)C)n1cccn1 ZINC001573653275 947955336 /nfs/dbraw/zinc/95/53/36/947955336.db2.gz KHRPXMOEXMXAGG-DGCLKSJQSA-N -1 1 384.448 1.057 20 0 GDADMM Cc1onc(CC(=O)N(C)[C@H]2CCN(c3ccccc3F)C2=O)c1-c1nnn[n-]1 ZINC000826343248 947989380 /nfs/dbraw/zinc/98/93/80/947989380.db2.gz SJUPCKDPVRJUNR-AWEZNQCLSA-N -1 1 399.386 1.109 20 0 GDADMM Cc1onc(CC(=O)N(C)[C@H]2CCN(c3ccccc3F)C2=O)c1-c1nn[n-]n1 ZINC000826343248 947989383 /nfs/dbraw/zinc/98/93/83/947989383.db2.gz SJUPCKDPVRJUNR-AWEZNQCLSA-N -1 1 399.386 1.109 20 0 GDADMM C[C@@H](C(=O)NC1(C2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)CC1)C1CC1 ZINC001573657324 947998570 /nfs/dbraw/zinc/99/85/70/947998570.db2.gz LXCUGJKKVSGYAP-GFCCVEGCSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](C(=O)NC1(C2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)CC1)C1CC1 ZINC001573657324 947998576 /nfs/dbraw/zinc/99/85/76/947998576.db2.gz LXCUGJKKVSGYAP-GFCCVEGCSA-N -1 1 382.472 1.568 20 0 GDADMM Cc1onc(CC(=O)N2CCC([C@H](O)c3ccccc3)CC2)c1-c1nnn[n-]1 ZINC000826343971 947999300 /nfs/dbraw/zinc/99/93/00/947999300.db2.gz SSISREQAAGKQPG-GOSISDBHSA-N -1 1 382.424 1.678 20 0 GDADMM Cc1onc(CC(=O)N2CCC([C@H](O)c3ccccc3)CC2)c1-c1nn[n-]n1 ZINC000826343971 947999305 /nfs/dbraw/zinc/99/93/05/947999305.db2.gz SSISREQAAGKQPG-GOSISDBHSA-N -1 1 382.424 1.678 20 0 GDADMM C[C@@H](C(=O)N[C@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cccs1 ZINC001573659428 948014646 /nfs/dbraw/zinc/01/46/46/948014646.db2.gz VOESUBBDHFJVSH-PIGZYNQJSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)N[C@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573659428 948014654 /nfs/dbraw/zinc/01/46/54/948014654.db2.gz VOESUBBDHFJVSH-PIGZYNQJSA-N -1 1 384.469 1.607 20 0 GDADMM Cc1onc(CC(=O)N[C@H](CC(C)C)C(=O)OC(C)(C)C)c1-c1nnn[n-]1 ZINC000826345981 948033370 /nfs/dbraw/zinc/03/33/70/948033370.db2.gz ZOGXYMVOJSEQOU-GFCCVEGCSA-N -1 1 378.433 1.578 20 0 GDADMM Cc1onc(CC(=O)N[C@H](CC(C)C)C(=O)OC(C)(C)C)c1-c1nn[n-]n1 ZINC000826345981 948033376 /nfs/dbraw/zinc/03/33/76/948033376.db2.gz ZOGXYMVOJSEQOU-GFCCVEGCSA-N -1 1 378.433 1.578 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](CC(C)C)C(=O)OC(C)(C)C)c1-c1nnn[n-]1 ZINC000826345982 948033569 /nfs/dbraw/zinc/03/35/69/948033569.db2.gz ZOGXYMVOJSEQOU-LBPRGKRZSA-N -1 1 378.433 1.578 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](CC(C)C)C(=O)OC(C)(C)C)c1-c1nn[n-]n1 ZINC000826345982 948033575 /nfs/dbraw/zinc/03/35/75/948033575.db2.gz ZOGXYMVOJSEQOU-LBPRGKRZSA-N -1 1 378.433 1.578 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nn1)CC2)C(C)(C)C ZINC001573663753 948041723 /nfs/dbraw/zinc/04/17/23/948041723.db2.gz PIMFACXBLCJRPM-OCCSQVGLSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nn1)CC2)C(C)(C)C ZINC001573663753 948041726 /nfs/dbraw/zinc/04/17/26/948041726.db2.gz PIMFACXBLCJRPM-OCCSQVGLSA-N -1 1 384.488 1.814 20 0 GDADMM Cc1onc(CC(=O)NC[C@@H](c2c(F)cccc2F)N(C)C)c1-c1nnn[n-]1 ZINC000826347155 948051024 /nfs/dbraw/zinc/05/10/24/948051024.db2.gz GSPXRLCDPHPMQD-ZDUSSCGKSA-N -1 1 391.382 1.403 20 0 GDADMM Cc1onc(CC(=O)NC[C@@H](c2c(F)cccc2F)N(C)C)c1-c1nn[n-]n1 ZINC000826347155 948051034 /nfs/dbraw/zinc/05/10/34/948051034.db2.gz GSPXRLCDPHPMQD-ZDUSSCGKSA-N -1 1 391.382 1.403 20 0 GDADMM Cc1onc(CC(=O)NCC2(c3ccccc3)CCOCC2)c1-c1nnn[n-]1 ZINC000826347455 948052916 /nfs/dbraw/zinc/05/29/16/948052916.db2.gz RSBRQHNEHYCRCL-UHFFFAOYSA-N -1 1 382.424 1.570 20 0 GDADMM Cc1onc(CC(=O)NCC2(c3ccccc3)CCOCC2)c1-c1nn[n-]n1 ZINC000826347455 948052926 /nfs/dbraw/zinc/05/29/26/948052926.db2.gz RSBRQHNEHYCRCL-UHFFFAOYSA-N -1 1 382.424 1.570 20 0 GDADMM C[C@@H](C(=O)NC1CC(CNc2cnc(-c3nnn[n-]3)cn2)C1)c1ccsc1 ZINC001573664935 948065777 /nfs/dbraw/zinc/06/57/77/948065777.db2.gz ZBIPGINAVXFDOH-XSRFYTQQSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)NC1CC(CNc2cnc(-c3nn[n-]n3)cn2)C1)c1ccsc1 ZINC001573664935 948065786 /nfs/dbraw/zinc/06/57/86/948065786.db2.gz ZBIPGINAVXFDOH-XSRFYTQQSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NC1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1)C(C)(F)F ZINC001573665060 948068052 /nfs/dbraw/zinc/06/80/52/948068052.db2.gz ICJPIKUFQHSUBU-KPPDAEKUSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@H](C(=O)NC1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1)C(C)(F)F ZINC001573665060 948068062 /nfs/dbraw/zinc/06/80/62/948068062.db2.gz ICJPIKUFQHSUBU-KPPDAEKUSA-N -1 1 380.403 1.787 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(N3CCO[C@H](C)C3)cc2)c1-c1nnn[n-]1 ZINC000826348292 948070728 /nfs/dbraw/zinc/07/07/28/948070728.db2.gz FUMXZRTXIHYCHH-LLVKDONJSA-N -1 1 383.412 1.569 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(N3CCO[C@H](C)C3)cc2)c1-c1nn[n-]n1 ZINC000826348292 948070739 /nfs/dbraw/zinc/07/07/39/948070739.db2.gz FUMXZRTXIHYCHH-LLVKDONJSA-N -1 1 383.412 1.569 20 0 GDADMM C[C@@H](C(=O)NC1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)c1ccco1 ZINC001573665321 948071170 /nfs/dbraw/zinc/07/11/70/948071170.db2.gz KRJYDEKNXFCKBD-PNESKVBLSA-N -1 1 382.428 1.315 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C(C)(F)F ZINC001573665527 948074929 /nfs/dbraw/zinc/07/49/29/948074929.db2.gz LYCPAWGQQPMPJN-MNOVXSKESA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1)C1CCCC1 ZINC001573666627 948088602 /nfs/dbraw/zinc/08/86/02/948088602.db2.gz URPZHFLMAIFZCH-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1)C1CCCC1 ZINC001573666627 948088612 /nfs/dbraw/zinc/08/86/12/948088612.db2.gz URPZHFLMAIFZCH-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM Cc1onc(CC(=O)Nc2cccc(OC[C@H]3CCCO3)c2)c1-c1nnn[n-]1 ZINC000826349029 948088769 /nfs/dbraw/zinc/08/87/69/948088769.db2.gz QGVHJAMSNQDDQV-CQSZACIVSA-N -1 1 384.396 1.902 20 0 GDADMM Cc1onc(CC(=O)Nc2cccc(OC[C@H]3CCCO3)c2)c1-c1nn[n-]n1 ZINC000826349029 948088777 /nfs/dbraw/zinc/08/87/77/948088777.db2.gz QGVHJAMSNQDDQV-CQSZACIVSA-N -1 1 384.396 1.902 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1)c1ccco1 ZINC001573666750 948090307 /nfs/dbraw/zinc/09/03/07/948090307.db2.gz VXSDTQKOBOHVBB-STQMWFEESA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1)c1ccco1 ZINC001573666750 948090318 /nfs/dbraw/zinc/09/03/18/948090318.db2.gz VXSDTQKOBOHVBB-STQMWFEESA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](C(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1)c1ccsc1 ZINC001573671317 948105261 /nfs/dbraw/zinc/10/52/61/948105261.db2.gz DKOWFLPCBLMADE-NSHDSACASA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1)c1ccsc1 ZINC001573671317 948105266 /nfs/dbraw/zinc/10/52/66/948105266.db2.gz DKOWFLPCBLMADE-NSHDSACASA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1cccc(F)c1 ZINC001573672158 948110101 /nfs/dbraw/zinc/11/01/01/948110101.db2.gz HKCSPTYIUMNRFD-SMDDNHRTSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1cccc(F)c1 ZINC001573672158 948110105 /nfs/dbraw/zinc/11/01/05/948110105.db2.gz HKCSPTYIUMNRFD-SMDDNHRTSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C)C1CCC1 ZINC001573675421 948121029 /nfs/dbraw/zinc/12/10/29/948121029.db2.gz PWMKFKFVUYSCID-IUODEOHRSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C)C1CCC1 ZINC001573675421 948121031 /nfs/dbraw/zinc/12/10/31/948121031.db2.gz PWMKFKFVUYSCID-IUODEOHRSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)CC(C)(C)C1)C1CC1 ZINC001573675353 948121582 /nfs/dbraw/zinc/12/15/82/948121582.db2.gz PSQWPUWWUMWROK-JSGCOSHPSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)CC(C)(C)C1)C1CC1 ZINC001573675353 948121584 /nfs/dbraw/zinc/12/15/84/948121584.db2.gz PSQWPUWWUMWROK-JSGCOSHPSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C)C1CCC1 ZINC001573675905 948123256 /nfs/dbraw/zinc/12/32/56/948123256.db2.gz RPFDKQNUDPNLJZ-OCCSQVGLSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1F ZINC001573677262 948134757 /nfs/dbraw/zinc/13/47/57/948134757.db2.gz XBUXJYPUGYALDS-VXGBXAGGSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1F ZINC001573677262 948134760 /nfs/dbraw/zinc/13/47/60/948134760.db2.gz XBUXJYPUGYALDS-VXGBXAGGSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@H](CNC(=O)[C@@H](C)c1cccc(F)c1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001573679545 948161874 /nfs/dbraw/zinc/16/18/74/948161874.db2.gz KRVWIXMMFFTFGG-NEPJUHHUSA-N -1 1 384.419 1.540 20 0 GDADMM C[C@H](CNC(=O)[C@@H](C)c1cccc(F)c1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001573679545 948161878 /nfs/dbraw/zinc/16/18/78/948161878.db2.gz KRVWIXMMFFTFGG-NEPJUHHUSA-N -1 1 384.419 1.540 20 0 GDADMM C[C@H](CNC(=O)[C@H](C)c1ccccc1F)N(C)c1nccnc1-c1nnn[n-]1 ZINC001573679635 948163716 /nfs/dbraw/zinc/16/37/16/948163716.db2.gz MFZUKBIFNFCYES-VXGBXAGGSA-N -1 1 384.419 1.540 20 0 GDADMM C[C@H](CNC(=O)[C@H](C)c1ccccc1F)N(C)c1nccnc1-c1nn[n-]n1 ZINC001573679635 948163720 /nfs/dbraw/zinc/16/37/20/948163720.db2.gz MFZUKBIFNFCYES-VXGBXAGGSA-N -1 1 384.419 1.540 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C)n1cccc1 ZINC001573680254 948174435 /nfs/dbraw/zinc/17/44/35/948174435.db2.gz OYNQTPNCKXWRLU-GXTWGEPZSA-N -1 1 381.444 1.050 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C)n1cccc1 ZINC001573680254 948174442 /nfs/dbraw/zinc/17/44/42/948174442.db2.gz OYNQTPNCKXWRLU-GXTWGEPZSA-N -1 1 381.444 1.050 20 0 GDADMM C[C@@H](C(=O)NC[C@H](CO)Nc1nc(-c2nn[n-]n2)c(Cl)s1)C1CCC1 ZINC001573680505 948180844 /nfs/dbraw/zinc/18/08/44/948180844.db2.gz OFKCRNCVFWFZBZ-VXNVDRBHSA-N -1 1 385.881 1.302 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C)c1ccco1 ZINC001573680566 948182042 /nfs/dbraw/zinc/18/20/42/948182042.db2.gz QZLYHUUQLADHBU-BXUZGUMPSA-N -1 1 382.428 1.384 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C)c1ccco1 ZINC001573680566 948182046 /nfs/dbraw/zinc/18/20/46/948182046.db2.gz QZLYHUUQLADHBU-BXUZGUMPSA-N -1 1 382.428 1.384 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C)C(F)(F)F ZINC001573680748 948188306 /nfs/dbraw/zinc/18/83/06/948188306.db2.gz RLMWXLFGWDQNFY-IUCAKERBSA-N -1 1 384.366 1.186 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C)C(F)(F)F ZINC001573681100 948194918 /nfs/dbraw/zinc/19/49/18/948194918.db2.gz UIXPHTALXCMSGW-WCBMZHEXSA-N -1 1 384.366 1.186 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C)C(F)(F)F ZINC001573681100 948194924 /nfs/dbraw/zinc/19/49/24/948194924.db2.gz UIXPHTALXCMSGW-WCBMZHEXSA-N -1 1 384.366 1.186 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)C1CCCC1 ZINC001573695328 948304679 /nfs/dbraw/zinc/30/46/79/948304679.db2.gz GNHKGCCKVKUETN-CYUUQNCZSA-N -1 1 382.472 1.281 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)C1CCCC1 ZINC001573695328 948304688 /nfs/dbraw/zinc/30/46/88/948304688.db2.gz GNHKGCCKVKUETN-CYUUQNCZSA-N -1 1 382.472 1.281 20 0 GDADMM CC(C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)=C1CCCC1 ZINC001573695837 948311350 /nfs/dbraw/zinc/31/13/50/948311350.db2.gz JBEICYKXEGCTDE-QKDCVEJESA-N -1 1 380.456 1.346 20 0 GDADMM CC(C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)=C1CCCC1 ZINC001573695837 948311364 /nfs/dbraw/zinc/31/13/64/948311364.db2.gz JBEICYKXEGCTDE-QKDCVEJESA-N -1 1 380.456 1.346 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCCN1c1nccnc1-c1nnn[n-]1)C(F)(F)F ZINC001573702859 948348649 /nfs/dbraw/zinc/34/86/49/948348649.db2.gz GNSQNJDWDCRYIF-ZJUUUORDSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCCN1c1nccnc1-c1nn[n-]n1)C(F)(F)F ZINC001573702859 948348658 /nfs/dbraw/zinc/34/86/58/948348658.db2.gz GNSQNJDWDCRYIF-ZJUUUORDSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCCCN1c1nccnc1-c1nnn[n-]1)C1CCC1 ZINC001573704114 948366527 /nfs/dbraw/zinc/36/65/27/948366527.db2.gz PCUQSTAVPSRELZ-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCCCN1c1nccnc1-c1nn[n-]n1)C1CCC1 ZINC001573704114 948366533 /nfs/dbraw/zinc/36/65/33/948366533.db2.gz PCUQSTAVPSRELZ-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)c1ccsc1 ZINC001573704232 948367730 /nfs/dbraw/zinc/36/77/30/948367730.db2.gz QTXSLEQMGJLPBG-WCQYABFASA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)c1ccsc1 ZINC001573704232 948367736 /nfs/dbraw/zinc/36/77/36/948367736.db2.gz QTXSLEQMGJLPBG-WCQYABFASA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1cccs1 ZINC001573704565 948376219 /nfs/dbraw/zinc/37/62/19/948376219.db2.gz CCVLZSQZQQBUDR-RYUDHWBXSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1cccs1 ZINC001573704565 948376222 /nfs/dbraw/zinc/37/62/22/948376222.db2.gz CCVLZSQZQQBUDR-RYUDHWBXSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCCO1)C(C)(C)C ZINC001573707856 948440086 /nfs/dbraw/zinc/44/00/86/948440086.db2.gz QEGQHAYJOHEDSG-CHWSQXEVSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCCO1)C(C)(C)C ZINC001573707856 948440089 /nfs/dbraw/zinc/44/00/89/948440089.db2.gz QEGQHAYJOHEDSG-CHWSQXEVSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@H](C(=O)NCC1CCN(c2nccnc2-c2nnn[n-]2)CC1)n1cccc1 ZINC001573708176 948444339 /nfs/dbraw/zinc/44/43/39/948444339.db2.gz SERMMLBBJJLTTM-CYBMUJFWSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@H](C(=O)NCC1CCN(c2nccnc2-c2nn[n-]n2)CC1)n1cccc1 ZINC001573708176 948444343 /nfs/dbraw/zinc/44/43/43/948444343.db2.gz SERMMLBBJJLTTM-CYBMUJFWSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cccs1 ZINC001573708211 948445208 /nfs/dbraw/zinc/44/52/08/948445208.db2.gz SIRQHLMQXDVBGD-VXGBXAGGSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cccs1 ZINC001573708211 948445214 /nfs/dbraw/zinc/44/52/14/948445214.db2.gz SIRQHLMQXDVBGD-VXGBXAGGSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccsc1 ZINC001573708327 948448885 /nfs/dbraw/zinc/44/88/85/948448885.db2.gz UCRDVQAJHHINHV-NEPJUHHUSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccsc1 ZINC001573708327 948448888 /nfs/dbraw/zinc/44/88/88/948448888.db2.gz UCRDVQAJHHINHV-NEPJUHHUSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@H](C(=O)NCC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001573714555 948474672 /nfs/dbraw/zinc/47/46/72/948474672.db2.gz ICYIDKKIOPRSSW-QWHCGFSZSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@@H](CCNC(=O)[C@@H](C)c1ccccc1F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001573717857 948511708 /nfs/dbraw/zinc/51/17/08/948511708.db2.gz NTQJJUYYBUHNBX-RYUDHWBXSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@@H](CCNC(=O)[C@@H](C)c1ccccc1F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001573717857 948511709 /nfs/dbraw/zinc/51/17/09/948511709.db2.gz NTQJJUYYBUHNBX-RYUDHWBXSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1nc(-c2nn[n-]n2)c(Cl)s1)n1cccc1 ZINC001573720146 948531385 /nfs/dbraw/zinc/53/13/85/948531385.db2.gz PCTZDIAESBIOAE-SECBINFHSA-N -1 1 380.865 1.592 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C)c1ccco1 ZINC001573725958 948545772 /nfs/dbraw/zinc/54/57/72/948545772.db2.gz DIQGNTOYTJLMGN-JHJVBQTASA-N -1 1 382.428 1.242 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C)C(F)(F)F ZINC001573726362 948549286 /nfs/dbraw/zinc/54/92/86/948549286.db2.gz IQBOSGNXWCZCHD-OPRDCNLKSA-N -1 1 384.366 1.044 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C)C(F)(F)F ZINC001573726362 948549290 /nfs/dbraw/zinc/54/92/90/948549290.db2.gz IQBOSGNXWCZCHD-OPRDCNLKSA-N -1 1 384.366 1.044 20 0 GDADMM C[C@H](C(=O)NCc1ccc(CCNc2nccnc2-c2nnn[n-]2)cc1)C1CC1 ZINC001573729069 948564945 /nfs/dbraw/zinc/56/49/45/948564945.db2.gz FWEJLHVYQOSNRT-ZDUSSCGKSA-N -1 1 392.467 1.974 20 0 GDADMM C[C@H](C(=O)NCc1ccc(CCNc2nccnc2-c2nn[n-]n2)cc1)C1CC1 ZINC001573729069 948564953 /nfs/dbraw/zinc/56/49/53/948564953.db2.gz FWEJLHVYQOSNRT-ZDUSSCGKSA-N -1 1 392.467 1.974 20 0 GDADMM C[C@H](C(=O)NCc1ccc(CCNc2cnc(-c3nnn[n-]3)cn2)cc1)C1CC1 ZINC001573730505 948580696 /nfs/dbraw/zinc/58/06/96/948580696.db2.gz PWCFPGXUOJITFV-ZDUSSCGKSA-N -1 1 392.467 1.974 20 0 GDADMM C[C@H](C(=O)NCc1ccc(CCNc2cnc(-c3nn[n-]n3)cn2)cc1)C1CC1 ZINC001573730505 948580699 /nfs/dbraw/zinc/58/06/99/948580699.db2.gz PWCFPGXUOJITFV-ZDUSSCGKSA-N -1 1 392.467 1.974 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nnn[n-]1)C(C)(F)F ZINC001573736456 948615708 /nfs/dbraw/zinc/61/57/08/948615708.db2.gz VLSYFVICQUCPJC-GMTAPVOTSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nn[n-]n1)C(C)(F)F ZINC001573736456 948615712 /nfs/dbraw/zinc/61/57/12/948615712.db2.gz VLSYFVICQUCPJC-GMTAPVOTSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)C1(c2ccccc2)CC1 ZINC001574678406 948749392 /nfs/dbraw/zinc/74/93/92/948749392.db2.gz FNHVXVWJLSRMCX-CYBMUJFWSA-N -1 1 378.440 1.695 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)C1(c2ccccc2)CC1 ZINC001574678406 948749402 /nfs/dbraw/zinc/74/94/02/948749402.db2.gz FNHVXVWJLSRMCX-CYBMUJFWSA-N -1 1 378.440 1.695 20 0 GDADMM CC(F)(F)C1(C(=O)N2CC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001575222228 948754732 /nfs/dbraw/zinc/75/47/32/948754732.db2.gz HBKGXQHMVZSZNF-SNVBAGLBSA-N -1 1 378.387 1.353 20 0 GDADMM CC(F)(F)C1(C(=O)N2CC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001575222228 948754738 /nfs/dbraw/zinc/75/47/38/948754738.db2.gz HBKGXQHMVZSZNF-SNVBAGLBSA-N -1 1 378.387 1.353 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575222259 948755977 /nfs/dbraw/zinc/75/59/77/948755977.db2.gz HMSZPZACTQCRBZ-JTQLQIEISA-N -1 1 378.387 1.035 20 0 GDADMM C[C@@H](C(=O)Nc1cccc(O)c1Br)n1cnc(-c2nn[n-]n2)n1 ZINC001573755167 948756000 /nfs/dbraw/zinc/75/60/00/948756000.db2.gz BORDRPOAHZDBIF-LURJTMIESA-N -1 1 379.178 1.126 20 0 GDADMM CC(C)[C@@H](F)C(=O)N[C@@H]1[C@H]2CN(c3nc(-c4nn[n-]n4)c(Cl)s3)C[C@H]21 ZINC001574078963 948760391 /nfs/dbraw/zinc/76/03/91/948760391.db2.gz GXATVFOPSOVGQW-XAVMHZPKSA-N -1 1 385.856 1.522 20 0 GDADMM CC(C)c1cc(C(=O)N[C@@H](C)CCNc2cnc(-c3nnn[n-]3)cn2)n(C)n1 ZINC001574679111 948766237 /nfs/dbraw/zinc/76/62/37/948766237.db2.gz NPOBEMDPQLJCOL-NSHDSACASA-N -1 1 384.448 1.134 20 0 GDADMM CC(C)c1cc(C(=O)N[C@@H](C)CCNc2cnc(-c3nn[n-]n3)cn2)n(C)n1 ZINC001574679111 948766245 /nfs/dbraw/zinc/76/62/45/948766245.db2.gz NPOBEMDPQLJCOL-NSHDSACASA-N -1 1 384.448 1.134 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1nc(Cl)cs1 ZINC001574679184 948769335 /nfs/dbraw/zinc/76/93/35/948769335.db2.gz PVNFHXZZUREYPJ-SSDOTTSWSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1nc(Cl)cs1 ZINC001574679184 948769343 /nfs/dbraw/zinc/76/93/43/948769343.db2.gz PVNFHXZZUREYPJ-SSDOTTSWSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1nncc2ccccc21 ZINC001574679261 948772985 /nfs/dbraw/zinc/77/29/85/948772985.db2.gz RHTRRGKSKKZXPS-NSHDSACASA-N -1 1 390.411 1.220 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1nncc2ccccc21 ZINC001574679261 948772998 /nfs/dbraw/zinc/77/29/98/948772998.db2.gz RHTRRGKSKKZXPS-NSHDSACASA-N -1 1 390.411 1.220 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)C(C)(C)c1ccccc1 ZINC001574679367 948778388 /nfs/dbraw/zinc/77/83/88/948778388.db2.gz UDWRSVMUFQYTOC-ZDUSSCGKSA-N -1 1 380.456 1.941 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)C(C)(C)c1ccccc1 ZINC001574679367 948778397 /nfs/dbraw/zinc/77/83/97/948778397.db2.gz UDWRSVMUFQYTOC-ZDUSSCGKSA-N -1 1 380.456 1.941 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CC[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001575224322 948779979 /nfs/dbraw/zinc/77/99/79/948779979.db2.gz TXVFIIHVRPJULO-GHMZBOCLSA-N -1 1 392.414 1.789 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CC[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001575224322 948779994 /nfs/dbraw/zinc/77/99/94/948779994.db2.gz TXVFIIHVRPJULO-GHMZBOCLSA-N -1 1 392.414 1.789 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001575224328 948781069 /nfs/dbraw/zinc/78/10/69/948781069.db2.gz TYOHZSJXRUVSEP-NSHDSACASA-N -1 1 392.414 1.425 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001575224328 948781076 /nfs/dbraw/zinc/78/10/76/948781076.db2.gz TYOHZSJXRUVSEP-NSHDSACASA-N -1 1 392.414 1.425 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@H](C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001574679437 948781371 /nfs/dbraw/zinc/78/13/71/948781371.db2.gz VHAKEJQAOUPNCR-SNVBAGLBSA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@H](C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001574679437 948781381 /nfs/dbraw/zinc/78/13/81/948781381.db2.gz VHAKEJQAOUPNCR-SNVBAGLBSA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)c1ccccc1C(=O)N(C)CCN(C)c1nccnc1-c1nnn[n-]1 ZINC001574419339 948783611 /nfs/dbraw/zinc/78/36/11/948783611.db2.gz BWXVPYWMQGYETD-UHFFFAOYSA-N -1 1 380.456 1.989 20 0 GDADMM CC(C)c1ccccc1C(=O)N(C)CCN(C)c1nccnc1-c1nn[n-]n1 ZINC001574419339 948783623 /nfs/dbraw/zinc/78/36/23/948783623.db2.gz BWXVPYWMQGYETD-UHFFFAOYSA-N -1 1 380.456 1.989 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@H]2C[C@H](Nc3nccnc3-c3nnn[n-]3)C2)n1 ZINC001574419593 948787273 /nfs/dbraw/zinc/78/72/73/948787273.db2.gz FYOWKPMJTYIZBQ-HAQNSBGRSA-N -1 1 379.428 1.548 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@H]2C[C@H](Nc3nccnc3-c3nn[n-]n3)C2)n1 ZINC001574419593 948787286 /nfs/dbraw/zinc/78/72/86/948787286.db2.gz FYOWKPMJTYIZBQ-HAQNSBGRSA-N -1 1 379.428 1.548 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CCc2ccccc2C1 ZINC001574679599 948788080 /nfs/dbraw/zinc/78/80/80/948788080.db2.gz YLKFDBFDSMORBI-XJKSGUPXSA-N -1 1 392.467 1.769 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCc2ccccc2C1 ZINC001574679599 948788090 /nfs/dbraw/zinc/78/80/90/948788090.db2.gz YLKFDBFDSMORBI-XJKSGUPXSA-N -1 1 392.467 1.769 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cc1ccccc1Cl ZINC001574679921 948796382 /nfs/dbraw/zinc/79/63/82/948796382.db2.gz BTJLIISPOIUUCV-NSHDSACASA-N -1 1 386.847 1.860 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cc1ccccc1Cl ZINC001574679921 948796388 /nfs/dbraw/zinc/79/63/88/948796388.db2.gz BTJLIISPOIUUCV-NSHDSACASA-N -1 1 386.847 1.860 20 0 GDADMM CC(F)(F)CC(=O)N1CCC2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001575225455 948804399 /nfs/dbraw/zinc/80/43/99/948804399.db2.gz CFDUCTSVEAFWAJ-UHFFFAOYSA-N -1 1 392.414 1.521 20 0 GDADMM CC(F)(F)CC(=O)N1CCC2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001575225455 948804415 /nfs/dbraw/zinc/80/44/15/948804415.db2.gz CFDUCTSVEAFWAJ-UHFFFAOYSA-N -1 1 392.414 1.521 20 0 GDADMM CC(C)[C@H](NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1ccccc1 ZINC001574080895 948810910 /nfs/dbraw/zinc/81/09/10/948810910.db2.gz VAIRTRSQWWIOJZ-HNNXBMFYSA-N -1 1 383.412 1.033 20 0 GDADMM CC(C)c1ccoc1C(=O)N1C[C@@H](C)[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574421144 948814411 /nfs/dbraw/zinc/81/44/11/948814411.db2.gz HYDNKJMRQHZRBM-YPMHNXCESA-N -1 1 382.428 1.946 20 0 GDADMM CC(C)c1ccoc1C(=O)N1C[C@@H](C)[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574421144 948814435 /nfs/dbraw/zinc/81/44/35/948814435.db2.gz HYDNKJMRQHZRBM-YPMHNXCESA-N -1 1 382.428 1.946 20 0 GDADMM C[C@H](CNC(=O)CCCc1ccsc1)CNc1nccnc1-c1nnn[n-]1 ZINC001574917752 948821918 /nfs/dbraw/zinc/82/19/18/948821918.db2.gz AOZYXGDFGVWTCQ-GFCCVEGCSA-N -1 1 386.485 1.905 20 0 GDADMM C[C@H](CNC(=O)CCCc1ccsc1)CNc1nccnc1-c1nn[n-]n1 ZINC001574917752 948821935 /nfs/dbraw/zinc/82/19/35/948821935.db2.gz AOZYXGDFGVWTCQ-GFCCVEGCSA-N -1 1 386.485 1.905 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1COc2ccccc21 ZINC001574682804 948830863 /nfs/dbraw/zinc/83/08/63/948830863.db2.gz RHUIZSPXUPFPMK-DGCLKSJQSA-N -1 1 380.412 1.140 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1COc2ccccc21 ZINC001574682804 948830878 /nfs/dbraw/zinc/83/08/78/948830878.db2.gz RHUIZSPXUPFPMK-DGCLKSJQSA-N -1 1 380.412 1.140 20 0 GDADMM CC(C)c1ccoc1C(=O)N(C)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574422070 948832699 /nfs/dbraw/zinc/83/26/99/948832699.db2.gz WMDRLTWDGVQUBK-LBPRGKRZSA-N -1 1 382.428 1.724 20 0 GDADMM CC(C)c1ccoc1C(=O)N(C)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574422070 948832715 /nfs/dbraw/zinc/83/27/15/948832715.db2.gz WMDRLTWDGVQUBK-LBPRGKRZSA-N -1 1 382.428 1.724 20 0 GDADMM C[C@H](CNC(=O)CCCc1ccccn1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574918195 948834849 /nfs/dbraw/zinc/83/48/49/948834849.db2.gz HBWUNVHUQKNAQM-ZDUSSCGKSA-N -1 1 381.444 1.239 20 0 GDADMM C[C@H](CNC(=O)CCCc1ccccn1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574918195 948834868 /nfs/dbraw/zinc/83/48/68/948834868.db2.gz HBWUNVHUQKNAQM-ZDUSSCGKSA-N -1 1 381.444 1.239 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cc1ccc(F)cc1F ZINC001574683322 948844286 /nfs/dbraw/zinc/84/42/86/948844286.db2.gz XJIWAOKJLJNEOH-JTQLQIEISA-N -1 1 388.382 1.484 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cc1ccc(F)cc1F ZINC001574683322 948844305 /nfs/dbraw/zinc/84/43/05/948844305.db2.gz XJIWAOKJLJNEOH-JTQLQIEISA-N -1 1 388.382 1.484 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)Cn1cccn1 ZINC001574684275 948865171 /nfs/dbraw/zinc/86/51/71/948865171.db2.gz CTYPNQQKGCDFNY-QMMMGPOBSA-N -1 1 381.853 1.180 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)Cn1cccn1 ZINC001574684275 948865187 /nfs/dbraw/zinc/86/51/87/948865187.db2.gz CTYPNQQKGCDFNY-QMMMGPOBSA-N -1 1 381.853 1.180 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)c1ccn(C)c1 ZINC001574684506 948873982 /nfs/dbraw/zinc/87/39/82/948873982.db2.gz HNFNZAVVDCGROM-QMMMGPOBSA-N -1 1 380.865 1.936 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)c1ccn(C)c1 ZINC001574684506 948873997 /nfs/dbraw/zinc/87/39/97/948873997.db2.gz HNFNZAVVDCGROM-QMMMGPOBSA-N -1 1 380.865 1.936 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CC[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C1 ZINC001575232540 948880133 /nfs/dbraw/zinc/88/01/33/948880133.db2.gz FALRGYUXGLEIBG-GRYCIOLGSA-N -1 1 392.414 1.423 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CC[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C1 ZINC001575232540 948880139 /nfs/dbraw/zinc/88/01/39/948880139.db2.gz FALRGYUXGLEIBG-GRYCIOLGSA-N -1 1 392.414 1.423 20 0 GDADMM CC(C)(C(=O)N1CC[C@H]2[C@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001573764291 948884136 /nfs/dbraw/zinc/88/41/36/948884136.db2.gz LTAUJSYQJORBJN-OCCSQVGLSA-N -1 1 382.472 1.520 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CC[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001575234212 948896140 /nfs/dbraw/zinc/89/61/40/948896140.db2.gz PQJLNZAPKDULHO-IJLUTSLNSA-N -1 1 392.414 1.423 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CC[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001575234212 948896158 /nfs/dbraw/zinc/89/61/58/948896158.db2.gz PQJLNZAPKDULHO-IJLUTSLNSA-N -1 1 392.414 1.423 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@@H](C)[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)s1 ZINC001574427145 948900584 /nfs/dbraw/zinc/90/05/84/948900584.db2.gz ALKIAEHWXINFJI-UWVGGRQHSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@@H](C)[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)s1 ZINC001574427145 948900592 /nfs/dbraw/zinc/90/05/92/948900592.db2.gz ALKIAEHWXINFJI-UWVGGRQHSA-N -1 1 387.473 1.856 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)c1cn(C)cn1 ZINC001574685436 948909797 /nfs/dbraw/zinc/90/97/97/948909797.db2.gz WBVOSFUJBGJUMC-SSDOTTSWSA-N -1 1 381.853 1.331 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)c1cn(C)cn1 ZINC001574685436 948909809 /nfs/dbraw/zinc/90/98/09/948909809.db2.gz WBVOSFUJBGJUMC-SSDOTTSWSA-N -1 1 381.853 1.331 20 0 GDADMM CC(F)(F)CC(=O)NC[C@@]1(C)CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575235040 948909805 /nfs/dbraw/zinc/90/98/05/948909805.db2.gz SLUZGQMYAQOIMA-OAHLLOKOSA-N -1 1 380.403 1.425 20 0 GDADMM CC(F)(F)CC(=O)NC[C@@]1(C)CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575235040 948909816 /nfs/dbraw/zinc/90/98/16/948909816.db2.gz SLUZGQMYAQOIMA-OAHLLOKOSA-N -1 1 380.403 1.425 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@@H]2[C@H](CCN2c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575234820 948910395 /nfs/dbraw/zinc/91/03/95/948910395.db2.gz GSEAWOMZDMZIIC-DGCLKSJQSA-N -1 1 392.414 1.519 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@@H]2[C@H](CCN2c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575234820 948910408 /nfs/dbraw/zinc/91/04/08/948910408.db2.gz GSEAWOMZDMZIIC-DGCLKSJQSA-N -1 1 392.414 1.519 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575235231 948916762 /nfs/dbraw/zinc/91/67/62/948916762.db2.gz LWIPYFUHCONWRO-NSHDSACASA-N -1 1 380.403 1.743 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575235231 948916779 /nfs/dbraw/zinc/91/67/79/948916779.db2.gz LWIPYFUHCONWRO-NSHDSACASA-N -1 1 380.403 1.743 20 0 GDADMM CC(C)c1ncc(C(=O)N(C)CCN(C)c2cnc(-c3nnn[n-]3)cn2)s1 ZINC001574428059 948921682 /nfs/dbraw/zinc/92/16/82/948921682.db2.gz YSBJWKMJYIBLLX-UHFFFAOYSA-N -1 1 387.473 1.445 20 0 GDADMM CC(C)c1ncc(C(=O)N(C)CCN(C)c2cnc(-c3nn[n-]n3)cn2)s1 ZINC001574428059 948921695 /nfs/dbraw/zinc/92/16/95/948921695.db2.gz YSBJWKMJYIBLLX-UHFFFAOYSA-N -1 1 387.473 1.445 20 0 GDADMM CC(F)(F)CC(=O)NC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001575235812 948929712 /nfs/dbraw/zinc/92/97/12/948929712.db2.gz YLPHXEPHEIIGPZ-LBPRGKRZSA-N -1 1 388.382 1.971 20 0 GDADMM CC(F)(F)CC(=O)NC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001575235812 948929724 /nfs/dbraw/zinc/92/97/24/948929724.db2.gz YLPHXEPHEIIGPZ-LBPRGKRZSA-N -1 1 388.382 1.971 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)C1CCC1 ZINC001573771697 948944045 /nfs/dbraw/zinc/94/40/45/948944045.db2.gz LBMBFFDNDMSCCM-OCCSQVGLSA-N -1 1 384.488 1.602 20 0 GDADMM C[C@H](CNC(=O)CCn1cccc1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574923335 948945920 /nfs/dbraw/zinc/94/59/20/948945920.db2.gz KAJOVXJVLYTDIB-SECBINFHSA-N -1 1 380.865 1.785 20 0 GDADMM C[C@H](CNC(=O)CCn1cccc1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574923335 948945929 /nfs/dbraw/zinc/94/59/29/948945929.db2.gz KAJOVXJVLYTDIB-SECBINFHSA-N -1 1 380.865 1.785 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)C(F)F ZINC001573773026 948973281 /nfs/dbraw/zinc/97/32/81/948973281.db2.gz YNVKWFVDBHOQMD-VHSXEESVSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)C(F)F ZINC001573773026 948973290 /nfs/dbraw/zinc/97/32/90/948973290.db2.gz YNVKWFVDBHOQMD-VHSXEESVSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H](C)c1cccc(F)c1 ZINC001574689359 948983763 /nfs/dbraw/zinc/98/37/63/948983763.db2.gz GNSUMTHUFWFAAI-NEPJUHHUSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H](C)c1cccc(F)c1 ZINC001574689359 948983776 /nfs/dbraw/zinc/98/37/76/948983776.db2.gz GNSUMTHUFWFAAI-NEPJUHHUSA-N -1 1 384.419 1.906 20 0 GDADMM CC(C)[C@@H]1C[C@@H](C(=O)NCC=CCNc2nccnc2-c2nnn[n-]2)CCO1 ZINC001574090817 948998090 /nfs/dbraw/zinc/99/80/90/948998090.db2.gz JHQGYLSTVJOFFH-NMEQGOOXSA-N -1 1 386.460 1.192 20 0 GDADMM CC(C)[C@@H]1C[C@@H](C(=O)NCC=CCNc2nccnc2-c2nn[n-]n2)CCO1 ZINC001574090817 948998101 /nfs/dbraw/zinc/99/81/01/948998101.db2.gz JHQGYLSTVJOFFH-NMEQGOOXSA-N -1 1 386.460 1.192 20 0 GDADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)N1CCC(CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574091640 949021588 /nfs/dbraw/zinc/02/15/88/949021588.db2.gz PRLCEEUPLMSZRN-AUUYWEPGSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)N1CCC(CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574091640 949021608 /nfs/dbraw/zinc/02/16/08/949021608.db2.gz PRLCEEUPLMSZRN-AUUYWEPGSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H](Oc1ccccc1)C(=O)N[C@@H](C)CCNc1nccnc1-c1nnn[n-]1 ZINC001574691430 949029267 /nfs/dbraw/zinc/02/92/67/949029267.db2.gz XQEXDQCXKTZQHL-QWHCGFSZSA-N -1 1 382.428 1.431 20 0 GDADMM C[C@@H](Oc1ccccc1)C(=O)N[C@@H](C)CCNc1nccnc1-c1nn[n-]n1 ZINC001574691430 949029283 /nfs/dbraw/zinc/02/92/83/949029283.db2.gz XQEXDQCXKTZQHL-QWHCGFSZSA-N -1 1 382.428 1.431 20 0 GDADMM CC(C)(C(=O)NC[C@@H](Nc1nccnc1-c1nnn[n-]1)C1CC1)c1ccccc1 ZINC001573775035 949030741 /nfs/dbraw/zinc/03/07/41/949030741.db2.gz SIQGHACLJVAJQU-OAHLLOKOSA-N -1 1 392.467 1.941 20 0 GDADMM CC(C)(C(=O)NC[C@@H](Nc1nccnc1-c1nn[n-]n1)C1CC1)c1ccccc1 ZINC001573775035 949030759 /nfs/dbraw/zinc/03/07/59/949030759.db2.gz SIQGHACLJVAJQU-OAHLLOKOSA-N -1 1 392.467 1.941 20 0 GDADMM C[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)[C@H](C)NC(=O)C(=O)C(C)(C)C ZINC001575248306 949067713 /nfs/dbraw/zinc/06/77/13/949067713.db2.gz QPJCMBDWOOLJRY-NKWVEPMBSA-N -1 1 385.881 1.897 20 0 GDADMM C[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)[C@H](C)NC(=O)C(=O)C(C)(C)C ZINC001575248306 949067693 /nfs/dbraw/zinc/06/76/93/949067693.db2.gz QPJCMBDWOOLJRY-NKWVEPMBSA-N -1 1 385.881 1.897 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)c1cnn(C)c1 ZINC001574694486 949077127 /nfs/dbraw/zinc/07/71/27/949077127.db2.gz PVTGAOLGAQAQLJ-SSDOTTSWSA-N -1 1 381.853 1.331 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)c1cnn(C)c1 ZINC001574694486 949077152 /nfs/dbraw/zinc/07/71/52/949077152.db2.gz PVTGAOLGAQAQLJ-SSDOTTSWSA-N -1 1 381.853 1.331 20 0 GDADMM C[C@@H](NC(=O)C1(C(F)F)CCCC1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575249022 949084339 /nfs/dbraw/zinc/08/43/39/949084339.db2.gz ANBHVPZEAUSSMP-VHSXEESVSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@@H](NC(=O)C1(C(F)F)CCCC1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575249022 949084363 /nfs/dbraw/zinc/08/43/63/949084363.db2.gz ANBHVPZEAUSSMP-VHSXEESVSA-N -1 1 380.403 1.787 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)C1CCC1 ZINC001573780263 949086352 /nfs/dbraw/zinc/08/63/52/949086352.db2.gz UTPMELQOCIEQIF-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)C1CCC1 ZINC001573780263 949086371 /nfs/dbraw/zinc/08/63/71/949086371.db2.gz UTPMELQOCIEQIF-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)c1nocc1C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCC1 ZINC001574441967 949086691 /nfs/dbraw/zinc/08/66/91/949086691.db2.gz HHYIZJQQCHZNTO-UHFFFAOYSA-N -1 1 383.416 1.533 20 0 GDADMM CC(C)c1nocc1C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCC1 ZINC001574441967 949086712 /nfs/dbraw/zinc/08/67/12/949086712.db2.gz HHYIZJQQCHZNTO-UHFFFAOYSA-N -1 1 383.416 1.533 20 0 GDADMM CC(C)[C@@H]1C[C@H](CC(=O)NCCN(C)c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC001574093008 949090826 /nfs/dbraw/zinc/09/08/26/949090826.db2.gz QQJBWBUUYQHUTC-HIFRSBDPSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)[C@@H]1C[C@H](CC(=O)NCCN(C)c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC001574093008 949090846 /nfs/dbraw/zinc/09/08/46/949090846.db2.gz QQJBWBUUYQHUTC-HIFRSBDPSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@H](CNC(=O)COCC1CC1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574929361 949093162 /nfs/dbraw/zinc/09/31/62/949093162.db2.gz DSVHLVMWIDICCS-MRVPVSSYSA-N -1 1 385.881 1.344 20 0 GDADMM C[C@H](CNC(=O)COCC1CC1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574929361 949093178 /nfs/dbraw/zinc/09/31/78/949093178.db2.gz DSVHLVMWIDICCS-MRVPVSSYSA-N -1 1 385.881 1.344 20 0 GDADMM CC(C)c1nocc1C(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001574442367 949096278 /nfs/dbraw/zinc/09/62/78/949096278.db2.gz NADVZVCPVHMHLP-LLVKDONJSA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1nocc1C(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001574442367 949096297 /nfs/dbraw/zinc/09/62/97/949096297.db2.gz NADVZVCPVHMHLP-LLVKDONJSA-N -1 1 383.416 1.119 20 0 GDADMM C[C@H](CN(C)C(=O)C(C)(C)c1cccnc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574694964 949099570 /nfs/dbraw/zinc/09/95/70/949099570.db2.gz XZLWBAIJUZSWIU-GFCCVEGCSA-N -1 1 381.444 1.288 20 0 GDADMM C[C@H](CN(C)C(=O)C(C)(C)c1cccnc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574694964 949099591 /nfs/dbraw/zinc/09/95/91/949099591.db2.gz XZLWBAIJUZSWIU-GFCCVEGCSA-N -1 1 381.444 1.288 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)c1cccnc1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575249419 949100399 /nfs/dbraw/zinc/10/03/99/949100399.db2.gz BRUAWZFDORQEDD-NWDGAFQWSA-N -1 1 381.444 1.335 20 0 GDADMM C[C@@H](CN(C)C(=O)C(C)(C)c1ccccc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574695045 949100423 /nfs/dbraw/zinc/10/04/23/949100423.db2.gz YVUIGJYUSISHNR-ZDUSSCGKSA-N -1 1 380.456 1.893 20 0 GDADMM C[C@@H](CN(C)C(=O)C(C)(C)c1ccccc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574695045 949100433 /nfs/dbraw/zinc/10/04/33/949100433.db2.gz YVUIGJYUSISHNR-ZDUSSCGKSA-N -1 1 380.456 1.893 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)c1cccnc1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575249419 949100386 /nfs/dbraw/zinc/10/03/86/949100386.db2.gz BRUAWZFDORQEDD-NWDGAFQWSA-N -1 1 381.444 1.335 20 0 GDADMM C[C@@H](CNC(=O)COC1CCCC1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574930278 949104901 /nfs/dbraw/zinc/10/49/01/949104901.db2.gz KKVNWFJRNVJJMF-QMMMGPOBSA-N -1 1 385.881 1.852 20 0 GDADMM C[C@@H](CNC(=O)COC1CCCC1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574930278 949104915 /nfs/dbraw/zinc/10/49/15/949104915.db2.gz KKVNWFJRNVJJMF-QMMMGPOBSA-N -1 1 385.881 1.852 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001574443278 949109800 /nfs/dbraw/zinc/10/98/00/949109800.db2.gz WWFAVSOMIITKKA-ZDUSSCGKSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001574443278 949109814 /nfs/dbraw/zinc/10/98/14/949109814.db2.gz WWFAVSOMIITKKA-ZDUSSCGKSA-N -1 1 383.416 1.389 20 0 GDADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H](C)NC(=O)C(C)(C)CC(F)(F)F ZINC001575250085 949110876 /nfs/dbraw/zinc/11/08/76/949110876.db2.gz DCPMUPJPDQTYIH-BDAKNGLRSA-N -1 1 386.382 1.940 20 0 GDADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)C(C)(C)CC(F)(F)F ZINC001575250085 949110888 /nfs/dbraw/zinc/11/08/88/949110888.db2.gz DCPMUPJPDQTYIH-BDAKNGLRSA-N -1 1 386.382 1.940 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@@H](C)CCNc1nccnc1-c1nnn[n-]1 ZINC001574695959 949120173 /nfs/dbraw/zinc/12/01/73/949120173.db2.gz LCQACMKLROUHQO-JTQLQIEISA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@@H](C)CCNc1nccnc1-c1nn[n-]n1 ZINC001574695959 949120193 /nfs/dbraw/zinc/12/01/93/949120193.db2.gz LCQACMKLROUHQO-JTQLQIEISA-N -1 1 387.473 1.857 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccsc1Cl ZINC001574696187 949125540 /nfs/dbraw/zinc/12/55/40/949125540.db2.gz MOYDKCDPCMYQDH-QMMMGPOBSA-N -1 1 378.849 1.992 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccsc1Cl ZINC001574696187 949125553 /nfs/dbraw/zinc/12/55/53/949125553.db2.gz MOYDKCDPCMYQDH-QMMMGPOBSA-N -1 1 378.849 1.992 20 0 GDADMM CC(C)[C@H]1CCC[C@@H](NC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC1 ZINC001574094132 949126409 /nfs/dbraw/zinc/12/64/09/949126409.db2.gz XRMWOHYGKZXLNO-QWHCGFSZSA-N -1 1 389.460 1.240 20 0 GDADMM CC(C)c1occc1C(=O)NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574446357 949127830 /nfs/dbraw/zinc/12/78/30/949127830.db2.gz NGCMFFCPIHGBRB-UHFFFAOYSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1occc1C(=O)NCC1CC(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574446357 949127844 /nfs/dbraw/zinc/12/78/44/949127844.db2.gz NGCMFFCPIHGBRB-UHFFFAOYSA-N -1 1 382.428 1.994 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)C[C@H]1CCCO1 ZINC001574696681 949137482 /nfs/dbraw/zinc/13/74/82/949137482.db2.gz UFKHYHXQBXVVOO-DTWKUNHWSA-N -1 1 385.881 1.852 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)C[C@H]1CCCO1 ZINC001574696681 949137499 /nfs/dbraw/zinc/13/74/99/949137499.db2.gz UFKHYHXQBXVVOO-DTWKUNHWSA-N -1 1 385.881 1.852 20 0 GDADMM CC(C)c1ocnc1C(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574446937 949145098 /nfs/dbraw/zinc/14/50/98/949145098.db2.gz BRIKLQBCVSNAQC-UHFFFAOYSA-N -1 1 383.416 1.167 20 0 GDADMM C[C@@H](NC(=O)C1(C(F)(F)F)CCC1)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575251864 949152844 /nfs/dbraw/zinc/15/28/44/949152844.db2.gz OTWSAABBYVAGHK-DTWKUNHWSA-N -1 1 384.366 1.116 20 0 GDADMM C[C@H](NC(=O)C1(C2CC2)CC1)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575252860 949175180 /nfs/dbraw/zinc/17/51/80/949175180.db2.gz IEDKJAALMNNMJU-QWHCGFSZSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](NC(=O)C1(C2CC2)CC1)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575252860 949175194 /nfs/dbraw/zinc/17/51/94/949175194.db2.gz IEDKJAALMNNMJU-QWHCGFSZSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H](C)c1ccccc1F)Nc1nccnc1-c1nnn[n-]1 ZINC001574698586 949199996 /nfs/dbraw/zinc/19/99/96/949199996.db2.gz MTLMXHVGGJUWDV-VXGBXAGGSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H](C)c1ccccc1F)Nc1nccnc1-c1nn[n-]n1 ZINC001574698586 949200005 /nfs/dbraw/zinc/20/00/05/949200005.db2.gz MTLMXHVGGJUWDV-VXGBXAGGSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](C)NC(=O)C(C)(C)C1CCOCC1 ZINC001575254477 949201979 /nfs/dbraw/zinc/20/19/79/949201979.db2.gz WEEMFFSBKXUXJN-NEPJUHHUSA-N -1 1 388.476 1.415 20 0 GDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](C)NC(=O)C(C)(C)C1CCOCC1 ZINC001575254477 949201962 /nfs/dbraw/zinc/20/19/62/949201962.db2.gz WEEMFFSBKXUXJN-NEPJUHHUSA-N -1 1 388.476 1.415 20 0 GDADMM C[C@@H]1CCC[C@]1(C)C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001576151215 949208594 /nfs/dbraw/zinc/20/85/94/949208594.db2.gz DQXKGGNWBOPLEI-PXAZEXFGSA-N -1 1 390.513 1.417 20 0 GDADMM CC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)c2occc2Cl)CC1 ZINC001575853303 949209308 /nfs/dbraw/zinc/20/93/08/949209308.db2.gz NQWUVNOQMFAEQO-UHFFFAOYSA-N -1 1 388.819 1.432 20 0 GDADMM C[C@@H](NC(=O)C1(C(F)F)CC1)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575254797 949217591 /nfs/dbraw/zinc/21/75/91/949217591.db2.gz XWXGHLZHMWIFQH-GHMZBOCLSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@@H](NC(=O)C1(C(F)F)CC1)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575254797 949217609 /nfs/dbraw/zinc/21/76/09/949217609.db2.gz XWXGHLZHMWIFQH-GHMZBOCLSA-N -1 1 392.414 1.423 20 0 GDADMM CC[C@@]1(C(=O)[O-])CCCN(CC(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)C1 ZINC001589604222 949218739 /nfs/dbraw/zinc/21/87/39/949218739.db2.gz ALQQQAHGLTWDIP-GOSISDBHSA-N -1 1 397.497 1.418 20 0 GDADMM CC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)c2ccncc2F)CC1 ZINC001575853699 949219513 /nfs/dbraw/zinc/21/95/13/949219513.db2.gz XWBASMURPJOSGK-UHFFFAOYSA-N -1 1 383.391 1.298 20 0 GDADMM CC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)c2ccncc2F)CC1 ZINC001575853699 949219535 /nfs/dbraw/zinc/21/95/35/949219535.db2.gz XWBASMURPJOSGK-UHFFFAOYSA-N -1 1 383.391 1.298 20 0 GDADMM C[C@@H](NC(=O)C1(Cc2ccccc2)CC1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575255093 949223737 /nfs/dbraw/zinc/22/37/37/949223737.db2.gz PHBKOSSFTRRYIB-UONOGXRCSA-N -1 1 392.467 1.985 20 0 GDADMM C[C@@H](NC(=O)C1(Cc2ccccc2)CC1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575255093 949223762 /nfs/dbraw/zinc/22/37/62/949223762.db2.gz PHBKOSSFTRRYIB-UONOGXRCSA-N -1 1 392.467 1.985 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001574451323 949227161 /nfs/dbraw/zinc/22/71/61/949227161.db2.gz MGXXCFXHIIGOHL-GFCCVEGCSA-N -1 1 385.432 1.057 20 0 GDADMM CC(C)(C)C(=O)N1CCC(N(CC2CC2)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573791725 949227726 /nfs/dbraw/zinc/22/77/26/949227726.db2.gz DTIKJPNEYKYLAG-UHFFFAOYSA-N -1 1 384.488 1.910 20 0 GDADMM CC1(Nc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)c2ccc(F)nc2)CC1 ZINC001575854062 949229444 /nfs/dbraw/zinc/22/94/44/949229444.db2.gz ZODXQJQRWPZPEH-UHFFFAOYSA-N -1 1 383.391 1.298 20 0 GDADMM CC1(Nc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)c2ccc(F)nc2)CC1 ZINC001575854062 949229461 /nfs/dbraw/zinc/22/94/61/949229461.db2.gz ZODXQJQRWPZPEH-UHFFFAOYSA-N -1 1 383.391 1.298 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(Cl)s1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574937700 949230783 /nfs/dbraw/zinc/23/07/83/949230783.db2.gz PWIZPJXEPJMCDC-QMMMGPOBSA-N -1 1 378.849 1.531 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(Cl)s1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574937700 949230803 /nfs/dbraw/zinc/23/08/03/949230803.db2.gz PWIZPJXEPJMCDC-QMMMGPOBSA-N -1 1 378.849 1.531 20 0 GDADMM CC(C)c1scnc1C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001574451357 949232602 /nfs/dbraw/zinc/23/26/02/949232602.db2.gz NZUPPHNMYASVHT-UHFFFAOYSA-N -1 1 385.457 1.611 20 0 GDADMM CC(C)c1scnc1C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001574451357 949232617 /nfs/dbraw/zinc/23/26/17/949232617.db2.gz NZUPPHNMYASVHT-UHFFFAOYSA-N -1 1 385.457 1.611 20 0 GDADMM C[C@@H](NC(=O)C1(CCF)CC1)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575255425 949233270 /nfs/dbraw/zinc/23/32/70/949233270.db2.gz QBVMSIWFKTVFQA-OLZOCXBDSA-N -1 1 388.451 1.518 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(F)c(Cl)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574938112 949235110 /nfs/dbraw/zinc/23/51/10/949235110.db2.gz SCSMBCLPGCRUTE-VIFPVBQESA-N -1 1 390.810 1.609 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(F)c(Cl)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574938112 949235133 /nfs/dbraw/zinc/23/51/33/949235133.db2.gz SCSMBCLPGCRUTE-VIFPVBQESA-N -1 1 390.810 1.609 20 0 GDADMM CC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)C2CCCCCC2)CC1 ZINC001575854405 949235921 /nfs/dbraw/zinc/23/59/21/949235921.db2.gz UZJLRHUNQLKEDT-UHFFFAOYSA-N -1 1 384.488 1.842 20 0 GDADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001575255581 949237105 /nfs/dbraw/zinc/23/71/05/949237105.db2.gz RDBXGPKAHDMBRN-FTBCQYCESA-N -1 1 384.488 1.600 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(F)cc1F)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574938503 949244767 /nfs/dbraw/zinc/24/47/67/949244767.db2.gz XGAHGJUGJBPKCW-JTQLQIEISA-N -1 1 388.382 1.119 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(F)cc1F)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574938503 949244786 /nfs/dbraw/zinc/24/47/86/949244786.db2.gz XGAHGJUGJBPKCW-JTQLQIEISA-N -1 1 388.382 1.119 20 0 GDADMM CC1(c2ccccc2C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575856199 949246161 /nfs/dbraw/zinc/24/61/61/949246161.db2.gz DPOSRJXAZQCRHP-JOCQHMNTSA-N -1 1 390.451 1.503 20 0 GDADMM C[C@@H](CNC(=O)Cc1cc(F)ccc1F)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574938491 949247380 /nfs/dbraw/zinc/24/73/80/949247380.db2.gz WYJOZZBQZIXOSL-JTQLQIEISA-N -1 1 388.382 1.119 20 0 GDADMM C[C@@H](CNC(=O)Cc1cc(F)ccc1F)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574938491 949247401 /nfs/dbraw/zinc/24/74/01/949247401.db2.gz WYJOZZBQZIXOSL-JTQLQIEISA-N -1 1 388.382 1.119 20 0 GDADMM COc1ccc(S(=O)(=O)Nc2cccc3c2OCC(=O)N3)cc1C(=O)[O-] ZINC000378003555 971566323 /nfs/dbraw/zinc/56/63/23/971566323.db2.gz CPGUQSCUZQXUAT-UHFFFAOYSA-N -1 1 378.362 1.525 20 0 GDADMM C[C@H]1CCC[C@@]1(C)C(=O)N(C)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001576152347 949251059 /nfs/dbraw/zinc/25/10/59/949251059.db2.gz IPWLRNWMPVQDJV-ORAYPTAESA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CCC[C@@]1(C)C(=O)N(C)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001576152347 949251076 /nfs/dbraw/zinc/25/10/76/949251076.db2.gz IPWLRNWMPVQDJV-ORAYPTAESA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](NC(=O)C1(c2ccccn2)CC1)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575256731 949258019 /nfs/dbraw/zinc/25/80/19/949258019.db2.gz WQPJBTTUMYGHMO-VXGBXAGGSA-N -1 1 379.428 1.089 20 0 GDADMM C[C@@H](NC(=O)C1(c2ccccn2)CC1)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575256731 949258040 /nfs/dbraw/zinc/25/80/40/949258040.db2.gz WQPJBTTUMYGHMO-VXGBXAGGSA-N -1 1 379.428 1.089 20 0 GDADMM C[C@@H](NC(=O)C1(c2ccccn2)CC1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575256729 949258073 /nfs/dbraw/zinc/25/80/73/949258073.db2.gz WQPJBTTUMYGHMO-NWDGAFQWSA-N -1 1 379.428 1.089 20 0 GDADMM C[C@@H](NC(=O)C1(c2ccccn2)CC1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575256729 949258094 /nfs/dbraw/zinc/25/80/94/949258094.db2.gz WQPJBTTUMYGHMO-NWDGAFQWSA-N -1 1 379.428 1.089 20 0 GDADMM C[C@H]1CCC[C@H](OCC(=O)N[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001576153346 949285102 /nfs/dbraw/zinc/28/51/02/949285102.db2.gz LYGWFVXQFDKVPR-XUXIUFHCSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@H]1CCC[C@H](OCC(=O)N[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001576153346 949285121 /nfs/dbraw/zinc/28/51/21/949285121.db2.gz LYGWFVXQFDKVPR-XUXIUFHCSA-N -1 1 386.460 1.311 20 0 GDADMM CC(C)n1cc(C(=O)NC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C2CC2)cn1 ZINC001574453210 949286098 /nfs/dbraw/zinc/28/60/98/949286098.db2.gz ZORYXVLGBGPASR-CYBMUJFWSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cc(C(=O)NC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C2CC2)cn1 ZINC001574453210 949286118 /nfs/dbraw/zinc/28/61/18/949286118.db2.gz ZORYXVLGBGPASR-CYBMUJFWSA-N -1 1 382.432 1.055 20 0 GDADMM CC1=C(C)C[C@H](C(=O)NC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)C)CC1 ZINC001575860077 949287553 /nfs/dbraw/zinc/28/75/53/949287553.db2.gz CHAVFWWLBKNSGS-HUUCEWRRSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc2c(c1)CCC2)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574941079 949290444 /nfs/dbraw/zinc/29/04/44/949290444.db2.gz NXZCUCYPWCQOKE-CYBMUJFWSA-N -1 1 392.467 1.329 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc2c(c1)CCC2)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574941079 949290461 /nfs/dbraw/zinc/29/04/61/949290461.db2.gz NXZCUCYPWCQOKE-CYBMUJFWSA-N -1 1 392.467 1.329 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@]1(F)CCOC1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574703087 949310922 /nfs/dbraw/zinc/31/09/22/949310922.db2.gz QNFOACKAGSWKSP-CPFSXVBKSA-N -1 1 389.844 1.364 20 0 GDADMM C[C@@H](NC(=O)C1CC2(CC2)C1)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575259431 949326022 /nfs/dbraw/zinc/32/60/22/949326022.db2.gz OGHVHAJWOYOOCR-CHWSQXEVSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](NC(=O)C1CC2(CC2)C1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575259431 949326044 /nfs/dbraw/zinc/32/60/44/949326044.db2.gz OGHVHAJWOYOOCR-CHWSQXEVSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H](C)NC(=O)C1CCC(F)(F)CC1 ZINC001575259429 949326502 /nfs/dbraw/zinc/32/65/02/949326502.db2.gz OGBUYUKDZFVUPM-ZJUUUORDSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H](C)NC(=O)C1CCC(F)(F)CC1 ZINC001575259429 949326523 /nfs/dbraw/zinc/32/65/23/949326523.db2.gz OGBUYUKDZFVUPM-ZJUUUORDSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccco1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574942122 949332553 /nfs/dbraw/zinc/33/25/53/949332553.db2.gz VULUHWAUZMIUDK-QMMMGPOBSA-N -1 1 381.849 1.977 20 0 GDADMM C[C@@H](CN(C)C(=O)C1=COCCO1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574703672 949343920 /nfs/dbraw/zinc/34/39/20/949343920.db2.gz FUCIMOISZCZPJT-ZETCQYMHSA-N -1 1 385.837 1.124 20 0 GDADMM CC1(C(=O)N(CCNc2nccnc2-c2nnn[n-]2)CCc2ccccc2)CC1 ZINC001575526274 949363124 /nfs/dbraw/zinc/36/31/24/949363124.db2.gz WYLUWUNVTQIPQY-UHFFFAOYSA-N -1 1 392.467 1.940 20 0 GDADMM CC1(C(=O)N(CCNc2nccnc2-c2nn[n-]n2)CCc2ccccc2)CC1 ZINC001575526274 949363150 /nfs/dbraw/zinc/36/31/50/949363150.db2.gz WYLUWUNVTQIPQY-UHFFFAOYSA-N -1 1 392.467 1.940 20 0 GDADMM CC1(C(=O)N2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575527709 949377113 /nfs/dbraw/zinc/37/71/13/949377113.db2.gz GCUMMBJCAWRTIU-XPCVCDNBSA-N -1 1 380.456 1.130 20 0 GDADMM CC1(C(=O)N2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575527709 949377132 /nfs/dbraw/zinc/37/71/32/949377132.db2.gz GCUMMBJCAWRTIU-XPCVCDNBSA-N -1 1 380.456 1.130 20 0 GDADMM C[C@@H](NC(=O)C1Cc2ccccc2C1)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575262887 949384205 /nfs/dbraw/zinc/38/42/05/949384205.db2.gz CVDCDKSCCZEZLU-VXGBXAGGSA-N -1 1 378.440 1.377 20 0 GDADMM C[C@@H](NC(=O)C1Cc2ccccc2C1)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575262887 949384226 /nfs/dbraw/zinc/38/42/26/949384226.db2.gz CVDCDKSCCZEZLU-VXGBXAGGSA-N -1 1 378.440 1.377 20 0 GDADMM CC(C)n1cnc(C(=O)N(C)C2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)c1 ZINC001574463951 949390382 /nfs/dbraw/zinc/39/03/82/949390382.db2.gz CMNGWHZEIYILEB-UHFFFAOYSA-N -1 1 386.485 1.662 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001574464575 949414816 /nfs/dbraw/zinc/41/48/16/949414816.db2.gz MUBPJLZHFCAXBP-CQSZACIVSA-N -1 1 381.444 1.660 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001574464575 949414839 /nfs/dbraw/zinc/41/48/39/949414839.db2.gz MUBPJLZHFCAXBP-CQSZACIVSA-N -1 1 381.444 1.660 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001574464574 949416474 /nfs/dbraw/zinc/41/64/74/949416474.db2.gz MUBPJLZHFCAXBP-AWEZNQCLSA-N -1 1 381.444 1.660 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001574464574 949416490 /nfs/dbraw/zinc/41/64/90/949416490.db2.gz MUBPJLZHFCAXBP-AWEZNQCLSA-N -1 1 381.444 1.660 20 0 GDADMM C[C@@H]1CCC[C@H](C(=O)NCC2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001576155814 949418700 /nfs/dbraw/zinc/41/87/00/949418700.db2.gz VGJJAOJEAHCEMO-HIFRSBDPSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574465101 949429445 /nfs/dbraw/zinc/42/94/45/949429445.db2.gz NQTCZUMOCJLBMU-CYBMUJFWSA-N -1 1 381.444 1.295 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1CCCCC1(F)F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574705600 949433754 /nfs/dbraw/zinc/43/37/54/949433754.db2.gz JCKYRDSVIHPIIT-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1CCCCC1(F)F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574705600 949433767 /nfs/dbraw/zinc/43/37/67/949433767.db2.gz JCKYRDSVIHPIIT-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2(C(F)F)CCC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575867374 949434212 /nfs/dbraw/zinc/43/42/12/949434212.db2.gz JLPQNHATWSQFGC-MNOVXSKESA-N -1 1 392.414 1.566 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2(C(F)F)CCC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575867374 949434224 /nfs/dbraw/zinc/43/42/24/949434224.db2.gz JLPQNHATWSQFGC-MNOVXSKESA-N -1 1 392.414 1.566 20 0 GDADMM CC(C)n1cnc(C(=O)N[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C2CC2)c1 ZINC001574465479 949438794 /nfs/dbraw/zinc/43/87/94/949438794.db2.gz ZEIMBPZKVVOLHB-CYBMUJFWSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cnc(C(=O)N[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C2CC2)c1 ZINC001574465479 949438808 /nfs/dbraw/zinc/43/88/08/949438808.db2.gz ZEIMBPZKVVOLHB-CYBMUJFWSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)CC(C)(C)CC(F)F ZINC001575265294 949446723 /nfs/dbraw/zinc/44/67/23/949446723.db2.gz TXTMSKAOBFBOOV-ZJUUUORDSA-N -1 1 382.419 1.455 20 0 GDADMM CC(C)n1cccc1C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574466003 949449809 /nfs/dbraw/zinc/44/98/09/949449809.db2.gz ZASHLLUYUQRLRS-ZDUSSCGKSA-N -1 1 381.444 1.178 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccn[nH]1 ZINC001576156611 949456201 /nfs/dbraw/zinc/45/62/01/949456201.db2.gz NRZXZXBCXYZJJZ-GTNSWQLSSA-N -1 1 382.432 1.171 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C(C)(C)C2CCC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575868342 949457728 /nfs/dbraw/zinc/45/77/28/949457728.db2.gz NAXRYEKIURAZBS-TZMCWYRMSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C(C)(C)C2CCC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575868342 949457735 /nfs/dbraw/zinc/45/77/35/949457735.db2.gz NAXRYEKIURAZBS-TZMCWYRMSA-N -1 1 384.488 1.957 20 0 GDADMM CC1(C(=O)N2CCC(O)(CNc3cnc(-c4nnn[n-]4)cn3)CC2)CCCC1 ZINC001575536288 949467744 /nfs/dbraw/zinc/46/77/44/949467744.db2.gz GMGHATCJFFDEEV-UHFFFAOYSA-N -1 1 386.460 1.002 20 0 GDADMM CC1(C(=O)N2CCC(O)(CNc3cnc(-c4nn[n-]n4)cn3)CC2)CCCC1 ZINC001575536288 949467756 /nfs/dbraw/zinc/46/77/56/949467756.db2.gz GMGHATCJFFDEEV-UHFFFAOYSA-N -1 1 386.460 1.002 20 0 GDADMM CC1(C(=O)N2CCC3(CCN(c4ccnc(-c5nn[n-]n5)n4)C3)CC2)CCC1 ZINC001575536811 949477698 /nfs/dbraw/zinc/47/76/98/949477698.db2.gz MMEBCEHLDNYQMX-UHFFFAOYSA-N -1 1 382.472 1.666 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCc2ccccc21)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574707857 949478521 /nfs/dbraw/zinc/47/85/21/949478521.db2.gz RDSWFWQWGLPHDA-XJKSGUPXSA-N -1 1 392.467 1.458 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2(C(F)F)CCC2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575870277 949486847 /nfs/dbraw/zinc/48/68/47/949486847.db2.gz UGBZMSFVMFSYMU-GHMZBOCLSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2(C(F)F)CCC2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575870277 949486855 /nfs/dbraw/zinc/48/68/55/949486855.db2.gz UGBZMSFVMFSYMU-GHMZBOCLSA-N -1 1 392.414 1.566 20 0 GDADMM CC(C)CC(=O)NC[C@@H]1COCCN1c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574117999 949489849 /nfs/dbraw/zinc/48/98/49/949489849.db2.gz COCSJVNBRXXUQK-SECBINFHSA-N -1 1 385.881 1.344 20 0 GDADMM CC1(C(=O)N2CC[C@@H]3[C@@H](CCN3c3ccnc(-c4nn[n-]n4)n3)C2)CCCC1 ZINC001575537734 949499403 /nfs/dbraw/zinc/49/94/03/949499403.db2.gz ARNFHYGSVNOQSW-UONOGXRCSA-N -1 1 382.472 1.664 20 0 GDADMM CC(C)CC(=O)NC[C@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)CCO1 ZINC001574120852 949506483 /nfs/dbraw/zinc/50/64/83/949506483.db2.gz NGZSOBZCWRYIHP-VIFPVBQESA-N -1 1 385.881 1.344 20 0 GDADMM CC(C)CC(=O)NC[C@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)CCO1 ZINC001574120852 949506501 /nfs/dbraw/zinc/50/65/01/949506501.db2.gz NGZSOBZCWRYIHP-VIFPVBQESA-N -1 1 385.881 1.344 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2(F)CCCCC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575871500 949509500 /nfs/dbraw/zinc/50/95/00/949509500.db2.gz ABVBWVZLLZJCFF-OLZOCXBDSA-N -1 1 388.451 1.803 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2(F)CCCCC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575871500 949509522 /nfs/dbraw/zinc/50/95/22/949509522.db2.gz ABVBWVZLLZJCFF-OLZOCXBDSA-N -1 1 388.451 1.803 20 0 GDADMM C[C@H]1[C@H](NC(=O)CC2CC(F)(F)C2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575871930 949522811 /nfs/dbraw/zinc/52/28/11/949522811.db2.gz DBTPDFRNUVYXED-CMPLNLGQSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CC2CC(F)(F)C2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575871932 949525418 /nfs/dbraw/zinc/52/54/18/949525418.db2.gz DBTPDFRNUVYXED-PWSUYJOCSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@@H]1CCCC[C@@H]1OCC(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001576163405 949530487 /nfs/dbraw/zinc/53/04/87/949530487.db2.gz AXCAFSINMZBUOT-DOMZBBRYSA-N -1 1 390.513 1.824 20 0 GDADMM C[C@H](NC(=O)CCC1(C)CC1)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575268786 949532651 /nfs/dbraw/zinc/53/26/51/949532651.db2.gz PCROFJUJEVVOSI-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](NC(=O)CCC1(C)CC1)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575268786 949532668 /nfs/dbraw/zinc/53/26/68/949532668.db2.gz PCROFJUJEVVOSI-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C(=O)N2CC[C@H]3[C@H](CCN3c3ccc(-c4nnn[n-]4)nn3)C2)CCCC1 ZINC001575539044 949535790 /nfs/dbraw/zinc/53/57/90/949535790.db2.gz LRUXGNDFPHWJTD-HIFRSBDPSA-N -1 1 382.472 1.664 20 0 GDADMM CC1(C(=O)N2CC[C@H]3[C@H](CCN3c3ccc(-c4nn[n-]n4)nn3)C2)CCCC1 ZINC001575539044 949535815 /nfs/dbraw/zinc/53/58/15/949535815.db2.gz LRUXGNDFPHWJTD-HIFRSBDPSA-N -1 1 382.472 1.664 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1COc2ccccc21)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574711475 949540591 /nfs/dbraw/zinc/54/05/91/949540591.db2.gz HQTRKIQBYCBIIJ-DGCLKSJQSA-N -1 1 380.412 1.092 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1COc2ccccc21)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574711475 949540616 /nfs/dbraw/zinc/54/06/16/949540616.db2.gz HQTRKIQBYCBIIJ-DGCLKSJQSA-N -1 1 380.412 1.092 20 0 GDADMM C[C@H]1CCCN(C(=O)CC2(C)CC2)[C@@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576164583 949559904 /nfs/dbraw/zinc/55/99/04/949559904.db2.gz HOLZZHRTCSUMOR-UONOGXRCSA-N -1 1 384.488 1.698 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2(CCF)CC2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576164571 949560821 /nfs/dbraw/zinc/56/08/21/949560821.db2.gz HLOTYUADSDCSEL-OCCSQVGLSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2(CCF)CC2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576164571 949560842 /nfs/dbraw/zinc/56/08/42/949560842.db2.gz HLOTYUADSDCSEL-OCCSQVGLSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@H]1[C@H](NC(=O)C23CCC(CC2)C3)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575872902 949561697 /nfs/dbraw/zinc/56/16/97/949561697.db2.gz LYSDUFAZNZDZSK-TXCIGDHXSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H]1[C@H](NC(=O)C23CCC(CC2)C3)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575872902 949561712 /nfs/dbraw/zinc/56/17/12/949561712.db2.gz LYSDUFAZNZDZSK-TXCIGDHXSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@]1(C(=O)N2CCC[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)CCCOC1 ZINC001575539888 949564235 /nfs/dbraw/zinc/56/42/35/949564235.db2.gz USFQMDJPGXBCBN-UGSOOPFHSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@]1(C(=O)N2CCC[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)CCCOC1 ZINC001575539888 949564257 /nfs/dbraw/zinc/56/42/57/949564257.db2.gz USFQMDJPGXBCBN-UGSOOPFHSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@H](CC(=O)N(C)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1 ZINC001574475838 949579903 /nfs/dbraw/zinc/57/99/03/949579903.db2.gz CDKYACWLPDWZEU-ZBFHGGJFSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@H](CC(=O)N(C)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1 ZINC001574475838 949579925 /nfs/dbraw/zinc/57/99/25/949579925.db2.gz CDKYACWLPDWZEU-ZBFHGGJFSA-N -1 1 392.467 1.888 20 0 GDADMM CC1(C(=O)N2CCCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)CC(F)(F)C1 ZINC001575545149 949593078 /nfs/dbraw/zinc/59/30/78/949593078.db2.gz IMNVUMZKLRAOJB-NSHDSACASA-N -1 1 392.414 1.885 20 0 GDADMM CC1(C(=O)N2CCCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)CC(F)(F)C1 ZINC001575545149 949593095 /nfs/dbraw/zinc/59/30/95/949593095.db2.gz IMNVUMZKLRAOJB-NSHDSACASA-N -1 1 392.414 1.885 20 0 GDADMM C[C@H](CC(=O)N(C)CCNc1ccnc(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC001574476476 949603064 /nfs/dbraw/zinc/60/30/64/949603064.db2.gz DAWCTRVDZXRRJD-GFCCVEGCSA-N -1 1 384.419 1.282 20 0 GDADMM CC(C)CC(C)(C)C(=O)N1CCO[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574127304 949609147 /nfs/dbraw/zinc/60/91/47/949609147.db2.gz FGDCRQZBALFDDF-ZDUSSCGKSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)CC(C)(C)C(=O)N1CCO[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574127304 949609163 /nfs/dbraw/zinc/60/91/63/949609163.db2.gz FGDCRQZBALFDDF-ZDUSSCGKSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@@]1(C(=O)N2CCCC[C@H]2CNc2cnc(-c3nnn[n-]3)cn2)CCCOC1 ZINC001575546514 949611876 /nfs/dbraw/zinc/61/18/76/949611876.db2.gz QRVVDTQOZNPZOA-SCLBCKFNSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@@]1(C(=O)N2CCCC[C@H]2CNc2cnc(-c3nn[n-]n3)cn2)CCCOC1 ZINC001575546514 949611887 /nfs/dbraw/zinc/61/18/87/949611887.db2.gz QRVVDTQOZNPZOA-SCLBCKFNSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@@H]1CCCC[C@H]1OCC(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576168814 949650227 /nfs/dbraw/zinc/65/02/27/949650227.db2.gz WDQWNJDHUURAAX-GUIRCDHDSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H]1CCCC[C@H]1OCC(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576168814 949650236 /nfs/dbraw/zinc/65/02/36/949650236.db2.gz WDQWNJDHUURAAX-GUIRCDHDSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@H]1CCc2ccccc21)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574715470 949650434 /nfs/dbraw/zinc/65/04/34/949650434.db2.gz CYLRTRDKYLGLAX-UKRRQHHQSA-N -1 1 392.467 1.458 20 0 GDADMM CC(C)CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1 ZINC001574131584 949662129 /nfs/dbraw/zinc/66/21/29/949662129.db2.gz HEMYBHGPJCDWQL-RDBSUJKOSA-N -1 1 384.488 1.955 20 0 GDADMM C[C@H](CNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574958299 949667422 /nfs/dbraw/zinc/66/74/22/949667422.db2.gz OWVNRRKNSTVFEN-RCDCFZSISA-N -1 1 392.467 1.791 20 0 GDADMM C[C@H](CNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574958299 949667431 /nfs/dbraw/zinc/66/74/31/949667431.db2.gz OWVNRRKNSTVFEN-RCDCFZSISA-N -1 1 392.467 1.791 20 0 GDADMM C[C@@H](CC(=O)N(C)CCCN(C)c1cnc(-c2nnn[n-]2)cn1)c1ccco1 ZINC001574477678 949670254 /nfs/dbraw/zinc/67/02/54/949670254.db2.gz UFBWHDJSMMSXFB-ZDUSSCGKSA-N -1 1 384.444 1.728 20 0 GDADMM C[C@@H](CC(=O)N(C)CCCN(C)c1cnc(-c2nn[n-]n2)cn1)c1ccco1 ZINC001574477678 949670270 /nfs/dbraw/zinc/67/02/70/949670270.db2.gz UFBWHDJSMMSXFB-ZDUSSCGKSA-N -1 1 384.444 1.728 20 0 GDADMM CC(C)CC(C)(C)C(=O)NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001574132007 949673997 /nfs/dbraw/zinc/67/39/97/949673997.db2.gz OIRNZANZMFRGTA-ZSOGYDGISA-N -1 1 384.488 1.527 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001574477763 949674056 /nfs/dbraw/zinc/67/40/56/949674056.db2.gz UUVHQBCGMPBDGS-GOEBONIOSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574477763 949674083 /nfs/dbraw/zinc/67/40/83/949674083.db2.gz UUVHQBCGMPBDGS-GOEBONIOSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@H]1CCCC[C@@H]1CC(=O)NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001576169332 949677147 /nfs/dbraw/zinc/67/71/47/949677147.db2.gz JGRXBXUHPBRNKB-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCCC[C@@H]1CC(=O)NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001576169332 949677166 /nfs/dbraw/zinc/67/71/66/949677166.db2.gz JGRXBXUHPBRNKB-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CC(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)nn1)n1cccc1 ZINC001574477832 949680461 /nfs/dbraw/zinc/68/04/61/949680461.db2.gz VHWWTWCHVIPMGP-AWEZNQCLSA-N -1 1 383.460 1.394 20 0 GDADMM C[C@@H](CC(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)nn1)n1cccc1 ZINC001574477832 949680474 /nfs/dbraw/zinc/68/04/74/949680474.db2.gz VHWWTWCHVIPMGP-AWEZNQCLSA-N -1 1 383.460 1.394 20 0 GDADMM C[C@H](CC(=O)N(C)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001574477822 949681054 /nfs/dbraw/zinc/68/10/54/949681054.db2.gz VFKZQEYKNJGLES-ZJUUUORDSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@H](CC(=O)N(C)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001574477822 949681066 /nfs/dbraw/zinc/68/10/66/949681066.db2.gz VFKZQEYKNJGLES-ZJUUUORDSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@H]1CCCC1(F)F)Nc1nccnc1-c1nnn[n-]1 ZINC001574716452 949692707 /nfs/dbraw/zinc/69/27/07/949692707.db2.gz OUVIAOPRMCJZLC-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@H]1CCCC1(F)F)Nc1nccnc1-c1nn[n-]n1 ZINC001574716452 949692716 /nfs/dbraw/zinc/69/27/16/949692716.db2.gz OUVIAOPRMCJZLC-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CCn1cccc1 ZINC001573817165 949699363 /nfs/dbraw/zinc/69/93/63/949699363.db2.gz YBAPWCNBYFLAGT-AWEZNQCLSA-N -1 1 383.460 1.491 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CCn1cccc1 ZINC001573817165 949699399 /nfs/dbraw/zinc/69/93/99/949699399.db2.gz YBAPWCNBYFLAGT-AWEZNQCLSA-N -1 1 383.460 1.491 20 0 GDADMM C[C@@H]1CCCN(C(=O)CCC(F)F)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576170014 949702057 /nfs/dbraw/zinc/70/20/57/949702057.db2.gz IOUOINZMNDOKHK-ZYHUDNBSSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H]1CCCN(C(=O)CCC(F)F)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576170014 949702082 /nfs/dbraw/zinc/70/20/82/949702082.db2.gz IOUOINZMNDOKHK-ZYHUDNBSSA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CC[C@@H]1CCCO1 ZINC001573818252 949726716 /nfs/dbraw/zinc/72/67/16/949726716.db2.gz JBTRGWOBCMHAHE-JSGCOSHPSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CC[C@@H]1CCCO1 ZINC001573818252 949726724 /nfs/dbraw/zinc/72/67/24/949726724.db2.gz JBTRGWOBCMHAHE-JSGCOSHPSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H]1CCCC[C@H]1C(=O)N1CCC(N(C)c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576170602 949728144 /nfs/dbraw/zinc/72/81/44/949728144.db2.gz MGSKSNNPMUBQIT-DZGCQCFKSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CCCC[C@H]1C(=O)N1CCC(N(C)c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576170602 949728157 /nfs/dbraw/zinc/72/81/57/949728157.db2.gz MGSKSNNPMUBQIT-DZGCQCFKSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC2CCCC2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576170901 949741683 /nfs/dbraw/zinc/74/16/83/949741683.db2.gz OHLNPERTZVEFMP-UKRRQHHQSA-N -1 1 384.488 1.698 20 0 GDADMM C[C@H]1CCCN(C(=O)CCCF)[C@@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001576170858 949742527 /nfs/dbraw/zinc/74/25/27/949742527.db2.gz OCHHINYJLMBBCE-GXTWGEPZSA-N -1 1 376.440 1.836 20 0 GDADMM C[C@H]1CCCN(C(=O)CCCF)[C@@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001576170858 949742541 /nfs/dbraw/zinc/74/25/41/949742541.db2.gz OCHHINYJLMBBCE-GXTWGEPZSA-N -1 1 376.440 1.836 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C1(F)CCCC1 ZINC001573819003 949744009 /nfs/dbraw/zinc/74/40/09/949744009.db2.gz QPUFCZMGCBQYON-GFCCVEGCSA-N -1 1 376.440 1.882 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C1(F)CCCC1 ZINC001573819003 949744017 /nfs/dbraw/zinc/74/40/17/949744017.db2.gz QPUFCZMGCBQYON-GFCCVEGCSA-N -1 1 376.440 1.882 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CCn1cccc1 ZINC001573818979 949746132 /nfs/dbraw/zinc/74/61/32/949746132.db2.gz QEDZWRORSSDRPH-AWEZNQCLSA-N -1 1 383.460 1.491 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CCn1cccc1 ZINC001573818979 949746150 /nfs/dbraw/zinc/74/61/50/949746150.db2.gz QEDZWRORSSDRPH-AWEZNQCLSA-N -1 1 383.460 1.491 20 0 GDADMM C[C@H]1CCCC[C@H]1C(=O)N1CCC(N(C)c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001576171122 949752425 /nfs/dbraw/zinc/75/24/25/949752425.db2.gz ORUOMVDIXPMAOE-DZGCQCFKSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CCCC[C@H]1C(=O)N1CCC(N(C)c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001576171122 949752441 /nfs/dbraw/zinc/75/24/41/949752441.db2.gz ORUOMVDIXPMAOE-DZGCQCFKSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCCC[C@@H]1C(=O)N1CCC(N(C)c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001576171123 949754154 /nfs/dbraw/zinc/75/41/54/949754154.db2.gz ORUOMVDIXPMAOE-HIFRSBDPSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCCC[C@@H]1C(=O)N1CCC(N(C)c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001576171123 949754164 /nfs/dbraw/zinc/75/41/64/949754164.db2.gz ORUOMVDIXPMAOE-HIFRSBDPSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001574481107 949770064 /nfs/dbraw/zinc/77/00/64/949770064.db2.gz MPFTVTFRYVSITJ-UKRRQHHQSA-N -1 1 378.440 1.863 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574481107 949770074 /nfs/dbraw/zinc/77/00/74/949770074.db2.gz MPFTVTFRYVSITJ-UKRRQHHQSA-N -1 1 378.440 1.863 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1csc(=O)[nH]1 ZINC001573823171 949815468 /nfs/dbraw/zinc/81/54/68/949815468.db2.gz QMYIVUNJYGSRED-SECBINFHSA-N -1 1 389.445 1.075 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1csc(=O)[nH]1 ZINC001573823171 949815490 /nfs/dbraw/zinc/81/54/90/949815490.db2.gz QMYIVUNJYGSRED-SECBINFHSA-N -1 1 389.445 1.075 20 0 GDADMM C[C@H]1CCCN(C(=O)CCC(F)F)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576172912 949826950 /nfs/dbraw/zinc/82/69/50/949826950.db2.gz ZIIFSPBIXDZEBM-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H]1CCCN(C(=O)CCC(F)F)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576172912 949826962 /nfs/dbraw/zinc/82/69/62/949826962.db2.gz ZIIFSPBIXDZEBM-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H]1CCCC[C@@H]1C(=O)NC1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576173006 949832927 /nfs/dbraw/zinc/83/29/27/949832927.db2.gz WKXHUZVMVNPGSC-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCCC[C@@H]1C(=O)NC1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576173006 949832948 /nfs/dbraw/zinc/83/29/48/949832948.db2.gz WKXHUZVMVNPGSC-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001576173830 949849855 /nfs/dbraw/zinc/84/98/55/949849855.db2.gz ZGUBDGXUOOQXLN-APIJFGDWSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001576173830 949849874 /nfs/dbraw/zinc/84/98/74/949849874.db2.gz ZGUBDGXUOOQXLN-APIJFGDWSA-N -1 1 382.472 1.663 20 0 GDADMM CC(C)(C)C1CC(C(=O)N2CC[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001573824939 949856549 /nfs/dbraw/zinc/85/65/49/949856549.db2.gz IHDDARZIGCAJJA-IYXRBSQSSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)(C)C1CC(C(=O)N2CC[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001573824939 949856568 /nfs/dbraw/zinc/85/65/68/949856568.db2.gz IHDDARZIGCAJJA-IYXRBSQSSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)(C)C12CC(C(=O)N[C@H]3C[C@H](Nc4ccc(-c5nnn[n-]5)nn4)C3)(C1)C2 ZINC001573825181 949864092 /nfs/dbraw/zinc/86/40/92/949864092.db2.gz LTMUAUFVYNXOSO-YHOLATLBSA-N -1 1 382.472 1.932 20 0 GDADMM CC(C)(C)C12CC(C(=O)N[C@H]3C[C@H](Nc4ccc(-c5nn[n-]n5)nn4)C3)(C1)C2 ZINC001573825181 949864101 /nfs/dbraw/zinc/86/41/01/949864101.db2.gz LTMUAUFVYNXOSO-YHOLATLBSA-N -1 1 382.472 1.932 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ccccc1 ZINC001574484314 949878518 /nfs/dbraw/zinc/87/85/18/949878518.db2.gz ZADWTZSUGGCYGR-ZFWWWQNUSA-N -1 1 378.440 1.863 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ccccc1 ZINC001574484314 949878527 /nfs/dbraw/zinc/87/85/27/949878527.db2.gz ZADWTZSUGGCYGR-ZFWWWQNUSA-N -1 1 378.440 1.863 20 0 GDADMM CC1(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CC(F)(F)C1 ZINC001575568936 949905360 /nfs/dbraw/zinc/90/53/60/949905360.db2.gz DQSGYRJGJFABSI-UHFFFAOYSA-N -1 1 378.387 1.177 20 0 GDADMM CC1(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CC(F)(F)C1 ZINC001575568936 949905381 /nfs/dbraw/zinc/90/53/81/949905381.db2.gz DQSGYRJGJFABSI-UHFFFAOYSA-N -1 1 378.387 1.177 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574484888 949911215 /nfs/dbraw/zinc/91/12/15/949911215.db2.gz QUXIOETYTGGHDN-GOEBONIOSA-N -1 1 392.467 1.675 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001574144624 949916936 /nfs/dbraw/zinc/91/69/36/949916936.db2.gz QLDWENXXVWJQKX-KBPBESRZSA-N -1 1 388.476 1.193 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001574144624 949916953 /nfs/dbraw/zinc/91/69/53/949916953.db2.gz QLDWENXXVWJQKX-KBPBESRZSA-N -1 1 388.476 1.193 20 0 GDADMM C[C@@H](CC(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C(F)(F)F ZINC001574485649 949925153 /nfs/dbraw/zinc/92/51/53/949925153.db2.gz YMEXPIFVEFYKLA-JTQLQIEISA-N -1 1 384.366 1.284 20 0 GDADMM C[C@@H](CC(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C(F)(F)F ZINC001574485649 949925179 /nfs/dbraw/zinc/92/51/79/949925179.db2.gz YMEXPIFVEFYKLA-JTQLQIEISA-N -1 1 384.366 1.284 20 0 GDADMM C[C@H](CC(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CCCC1)C1CC1 ZINC001574487742 949936507 /nfs/dbraw/zinc/93/65/07/949936507.db2.gz BQMZFRUBUXTTRZ-DOMZBBRYSA-N -1 1 384.488 1.602 20 0 GDADMM C[C@H]1CCN(C(=O)COC(C)(C)C)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576180131 949940628 /nfs/dbraw/zinc/94/06/28/949940628.db2.gz CHLAZVPUEXNKNM-STQMWFEESA-N -1 1 388.476 1.368 20 0 GDADMM C[C@H]1CCN(C(=O)COC(C)(C)C)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576180131 949940647 /nfs/dbraw/zinc/94/06/47/949940647.db2.gz CHLAZVPUEXNKNM-STQMWFEESA-N -1 1 388.476 1.368 20 0 GDADMM C[C@H]1CCN(C(=O)CC(F)(F)F)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576180584 949964502 /nfs/dbraw/zinc/96/45/02/949964502.db2.gz FKICKUOXKMJPOS-VHSXEESVSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@H]1CCN(C(=O)CC(F)(F)F)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576180584 949964526 /nfs/dbraw/zinc/96/45/26/949964526.db2.gz FKICKUOXKMJPOS-VHSXEESVSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccncc2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576180961 949979924 /nfs/dbraw/zinc/97/99/24/949979924.db2.gz KKRDUPSEPJLCNF-SWLSCSKDSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccncc2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576180961 949979937 /nfs/dbraw/zinc/97/99/37/949979937.db2.gz KKRDUPSEPJLCNF-SWLSCSKDSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cocn2)[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576181219 949990542 /nfs/dbraw/zinc/99/05/42/949990542.db2.gz KVCRACKPQCGPKG-RISCZKNCSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cocn2)[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576181219 949990559 /nfs/dbraw/zinc/99/05/59/949990559.db2.gz KVCRACKPQCGPKG-RISCZKNCSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@H](CC(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@@]2(C)C1)C1CC1 ZINC001574490454 949996017 /nfs/dbraw/zinc/99/60/17/949996017.db2.gz RZWLGXKHHWMEAL-TVZGQMOCSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H](CC(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@]2(C)C1)C1CC1 ZINC001574490454 949996026 /nfs/dbraw/zinc/99/60/26/949996026.db2.gz RZWLGXKHHWMEAL-TVZGQMOCSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ccccc1Cl)Nc1nccnc1-c1nnn[n-]1 ZINC001574728676 949999189 /nfs/dbraw/zinc/99/91/89/949999189.db2.gz GZYAPQFMVZFZGZ-NSHDSACASA-N -1 1 386.847 1.812 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ccccc1Cl)Nc1nccnc1-c1nn[n-]n1 ZINC001574728676 949999203 /nfs/dbraw/zinc/99/92/03/949999203.db2.gz GZYAPQFMVZFZGZ-NSHDSACASA-N -1 1 386.847 1.812 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2ccccc2O)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575892293 950063662 /nfs/dbraw/zinc/06/36/62/950063662.db2.gz VKHUXDMUBWSXSW-DGCLKSJQSA-N -1 1 380.412 1.150 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2ccccc2O)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575892293 950063680 /nfs/dbraw/zinc/06/36/80/950063680.db2.gz VKHUXDMUBWSXSW-DGCLKSJQSA-N -1 1 380.412 1.150 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574492142 950064229 /nfs/dbraw/zinc/06/42/29/950064229.db2.gz JQVLPSPYEBSRGT-QWHCGFSZSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cncs2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576183066 950073635 /nfs/dbraw/zinc/07/36/35/950073635.db2.gz QRDWXUZNZMQLGE-CMPLNLGQSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cncs2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576183066 950073656 /nfs/dbraw/zinc/07/36/56/950073656.db2.gz QRDWXUZNZMQLGE-CMPLNLGQSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H]1CCN(C(=O)C2(C3CC3)CC2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576183600 950089924 /nfs/dbraw/zinc/08/99/24/950089924.db2.gz QLIODJCDZZDELQ-QWHCGFSZSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@H]1CCN(C(=O)C2(C3CC3)CC2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576183600 950089943 /nfs/dbraw/zinc/08/99/43/950089943.db2.gz QLIODJCDZZDELQ-QWHCGFSZSA-N -1 1 382.472 1.743 20 0 GDADMM CC1(C(=O)NCC2(Nc3cnc(-c4nnn[n-]4)cn3)CCCC2)CC(F)(F)C1 ZINC001575582022 950095492 /nfs/dbraw/zinc/09/54/92/950095492.db2.gz BUYRIAYQMJTWSD-UHFFFAOYSA-N -1 1 392.414 1.933 20 0 GDADMM CC1(C(=O)NCC2(Nc3cnc(-c4nn[n-]n4)cn3)CCCC2)CC(F)(F)C1 ZINC001575582022 950095516 /nfs/dbraw/zinc/09/55/16/950095516.db2.gz BUYRIAYQMJTWSD-UHFFFAOYSA-N -1 1 392.414 1.933 20 0 GDADMM C[C@H](CC(=O)NC1CC2(C1)CC(Nc1ccnc(-c3nn[n-]n3)n1)C2)C1CC1 ZINC001574492688 950100393 /nfs/dbraw/zinc/10/03/93/950100393.db2.gz ONFRYQJCBVFFRV-KDBGQGEDSA-N -1 1 382.472 1.354 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccc[nH]2)[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576183747 950101863 /nfs/dbraw/zinc/10/18/63/950101863.db2.gz UJENTDXQTCNRHD-DOMZBBRYSA-N -1 1 381.444 1.728 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccc[nH]2)[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576183747 950101873 /nfs/dbraw/zinc/10/18/73/950101873.db2.gz UJENTDXQTCNRHD-DOMZBBRYSA-N -1 1 381.444 1.728 20 0 GDADMM CC(C)(C)CC(=O)N[C@@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)C[C@H]1O ZINC001573839145 950124186 /nfs/dbraw/zinc/12/41/86/950124186.db2.gz MEFYRCUDBYFNDM-HTQZYQBOSA-N -1 1 385.881 1.079 20 0 GDADMM CC(C)(C)CC(=O)N[C@@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)C[C@H]1O ZINC001573839145 950124197 /nfs/dbraw/zinc/12/41/97/950124197.db2.gz MEFYRCUDBYFNDM-HTQZYQBOSA-N -1 1 385.881 1.079 20 0 GDADMM CC(C)(C)CC(=O)NC[C@]12CCC[C@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001573839328 950128943 /nfs/dbraw/zinc/12/89/43/950128943.db2.gz QWUXVAFLHQXLDE-BFUOFWGJSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccns2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576184567 950132104 /nfs/dbraw/zinc/13/21/04/950132104.db2.gz WJYQMIUVKKZLKQ-PWSUYJOCSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccns2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576184567 950132118 /nfs/dbraw/zinc/13/21/18/950132118.db2.gz WJYQMIUVKKZLKQ-PWSUYJOCSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cc[nH]c2)[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576184587 950134956 /nfs/dbraw/zinc/13/49/56/950134956.db2.gz WRXUUKJMPLUXJE-JSGCOSHPSA-N -1 1 381.444 1.150 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccco2)[C@@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576185114 950156368 /nfs/dbraw/zinc/15/63/68/950156368.db2.gz ZGPUMAMPUKMNRS-QWHCGFSZSA-N -1 1 382.428 1.415 20 0 GDADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1(CCF)CC1 ZINC001574154108 950166692 /nfs/dbraw/zinc/16/66/92/950166692.db2.gz BHEFHGZDGXDSLW-GFCCVEGCSA-N -1 1 376.440 1.161 20 0 GDADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C12CCC(CC1)C2 ZINC001574154275 950169825 /nfs/dbraw/zinc/16/98/25/950169825.db2.gz CLTQINWNLHERSO-BIWSTMPVSA-N -1 1 384.488 1.602 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H](C)C(F)(F)F ZINC001574154622 950175243 /nfs/dbraw/zinc/17/52/43/950175243.db2.gz FKUCGUGWWBBSAT-VHSXEESVSA-N -1 1 386.382 1.798 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H](C)C(F)(F)F ZINC001574154622 950175261 /nfs/dbraw/zinc/17/52/61/950175261.db2.gz FKUCGUGWWBBSAT-VHSXEESVSA-N -1 1 386.382 1.798 20 0 GDADMM CC1(C(=O)NCC2(Nc3ccnc(-c4nn[n-]n4)n3)CCCC2)CC(F)(F)C1 ZINC001575584623 950175248 /nfs/dbraw/zinc/17/52/48/950175248.db2.gz ZDMPRZSLQUAOQM-UHFFFAOYSA-N -1 1 392.414 1.355 20 0 GDADMM C[C@@H](CNC(=O)c1c[nH]nc1C(C)(C)C)CNc1nccnc1-c1nnn[n-]1 ZINC001574982792 950185084 /nfs/dbraw/zinc/18/50/84/950185084.db2.gz HCTXJNRVGSWLRA-SNVBAGLBSA-N -1 1 384.448 1.155 20 0 GDADMM C[C@@H](CNC(=O)c1c[nH]nc1C(C)(C)C)CNc1nccnc1-c1nn[n-]n1 ZINC001574982792 950185098 /nfs/dbraw/zinc/18/50/98/950185098.db2.gz HCTXJNRVGSWLRA-SNVBAGLBSA-N -1 1 384.448 1.155 20 0 GDADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)c1ccco1 ZINC001574155549 950199187 /nfs/dbraw/zinc/19/91/87/950199187.db2.gz NIZOXEWLEMZRNF-STQMWFEESA-N -1 1 384.444 1.418 20 0 GDADMM CC(C)(C)OC(=O)[C@H]1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573850370 950271821 /nfs/dbraw/zinc/27/18/21/950271821.db2.gz IWHYNQILEJYPQD-JTQLQIEISA-N -1 1 378.458 1.801 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCC1)c1ccco1 ZINC001574498481 950276674 /nfs/dbraw/zinc/27/66/74/950276674.db2.gz NZHXJUHGMCBUOA-LBPRGKRZSA-N -1 1 382.428 1.316 20 0 GDADMM C[C@]1(C(=O)NCCC[C@@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)C=CCC1 ZINC001575592227 950281398 /nfs/dbraw/zinc/28/13/98/950281398.db2.gz DNVWNKKQBBOKKU-KUHUBIRLSA-N -1 1 382.472 1.878 20 0 GDADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1sccc1F ZINC001574158769 950287207 /nfs/dbraw/zinc/28/72/07/950287207.db2.gz SEBPUSGUIOWJES-SNVBAGLBSA-N -1 1 390.448 1.536 20 0 GDADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1occc1Cl ZINC001574158729 950287635 /nfs/dbraw/zinc/28/76/35/950287635.db2.gz RIEJJYUHCKDXQJ-JTQLQIEISA-N -1 1 390.835 1.582 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CC1)c1ccccc1 ZINC001574499170 950294600 /nfs/dbraw/zinc/29/46/00/950294600.db2.gz SJKLKUWVVSDGMH-ZDUSSCGKSA-N -1 1 378.440 1.911 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CC1)c1ccccc1 ZINC001574499170 950294616 /nfs/dbraw/zinc/29/46/16/950294616.db2.gz SJKLKUWVVSDGMH-ZDUSSCGKSA-N -1 1 378.440 1.911 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCC1)n1cccc1 ZINC001574499400 950297285 /nfs/dbraw/zinc/29/72/85/950297285.db2.gz UOPCQKPHXWOWEG-ZDUSSCGKSA-N -1 1 381.444 1.560 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCC1)n1cccc1 ZINC001574499400 950297301 /nfs/dbraw/zinc/29/73/01/950297301.db2.gz UOPCQKPHXWOWEG-ZDUSSCGKSA-N -1 1 381.444 1.560 20 0 GDADMM CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)NCc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573851999 950298793 /nfs/dbraw/zinc/29/87/93/950298793.db2.gz BKKIVPZXRYJNSH-GFCCVEGCSA-N -1 1 396.448 1.749 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccccc1O ZINC001574159268 950302532 /nfs/dbraw/zinc/30/25/32/950302532.db2.gz VKBPOOCAIJFQAE-GFCCVEGCSA-N -1 1 382.428 1.619 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C[C@@](C)(O)C1CC1 ZINC001574159691 950310819 /nfs/dbraw/zinc/31/08/19/950310819.db2.gz XZVYGOLPTAVRCZ-SCLBCKFNSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@@](C)(O)C1CC1 ZINC001574159691 950310840 /nfs/dbraw/zinc/31/08/40/950310840.db2.gz XZVYGOLPTAVRCZ-SCLBCKFNSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001573853427 950321208 /nfs/dbraw/zinc/32/12/08/950321208.db2.gz OVKJLOUMLUUAJW-AWEZNQCLSA-N -1 1 387.444 1.668 20 0 GDADMM CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001573853427 950321232 /nfs/dbraw/zinc/32/12/32/950321232.db2.gz OVKJLOUMLUUAJW-AWEZNQCLSA-N -1 1 387.444 1.668 20 0 GDADMM CC(C)(C)OC(=O)N1CC(C)(C(=O)N2CCCc3nc(-c4nnn[n-]4)ccc32)C1 ZINC001573853675 950328507 /nfs/dbraw/zinc/32/85/07/950328507.db2.gz SJIDIABNCOXOEW-UHFFFAOYSA-N -1 1 399.455 1.798 20 0 GDADMM CC(C)(C)OC(=O)N1CC(C)(C(=O)N2CCCc3nc(-c4nn[n-]n4)ccc32)C1 ZINC001573853675 950328527 /nfs/dbraw/zinc/32/85/27/950328527.db2.gz SJIDIABNCOXOEW-UHFFFAOYSA-N -1 1 399.455 1.798 20 0 GDADMM CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3nn[n-]n3)n2)C[C@H]1CCO ZINC001573853736 950329337 /nfs/dbraw/zinc/32/93/37/950329337.db2.gz UYDAEXYPGXAEFM-CQSZACIVSA-N -1 1 389.460 1.065 20 0 GDADMM CC1(C(=O)NC[C@H]2CN(Cc3ccc(-c4nn[n-]n4)s3)CCO2)CCCC1 ZINC001575594705 950344070 /nfs/dbraw/zinc/34/40/70/950344070.db2.gz LQLGECDJYVSSKP-ZDUSSCGKSA-N -1 1 390.513 1.826 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1)n1cccc1 ZINC001574501944 950345947 /nfs/dbraw/zinc/34/59/47/950345947.db2.gz HWKMFGJMIHIVAQ-UONOGXRCSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1)n1cccc1 ZINC001574501944 950345969 /nfs/dbraw/zinc/34/59/69/950345969.db2.gz HWKMFGJMIHIVAQ-UONOGXRCSA-N -1 1 381.444 1.195 20 0 GDADMM CC1(C(=O)NC[C@@H]2c3ccccc3CCN2c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575595140 950351035 /nfs/dbraw/zinc/35/10/35/950351035.db2.gz NDRQJQBNIBXWHF-MRXNPFEDSA-N -1 1 390.451 1.677 20 0 GDADMM CC1(C(=O)NC[C@@H]2c3ccccc3CCN2c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575595140 950351050 /nfs/dbraw/zinc/35/10/50/950351050.db2.gz NDRQJQBNIBXWHF-MRXNPFEDSA-N -1 1 390.451 1.677 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001574502092 950357675 /nfs/dbraw/zinc/35/76/75/950357675.db2.gz IUGHROFIWVLLJD-UWVGGRQHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001574502092 950357687 /nfs/dbraw/zinc/35/76/87/950357687.db2.gz IUGHROFIWVLLJD-UWVGGRQHSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cncc(F)c1 ZINC001574161353 950358251 /nfs/dbraw/zinc/35/82/51/950358251.db2.gz UNMRYEFWZRGWAH-ZDUSSCGKSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cncc(F)c1 ZINC001574161353 950358275 /nfs/dbraw/zinc/35/82/75/950358275.db2.gz UNMRYEFWZRGWAH-ZDUSSCGKSA-N -1 1 385.407 1.447 20 0 GDADMM CC1(C(=O)NCCN(c2ccc(-c3nnn[n-]3)nn2)C2CC2)CC(F)(F)C1 ZINC001575595420 950358712 /nfs/dbraw/zinc/35/87/12/950358712.db2.gz ZXVDGKYLKVFXHC-UHFFFAOYSA-N -1 1 378.387 1.177 20 0 GDADMM CC1(C(=O)NCCN(c2ccc(-c3nn[n-]n3)nn2)C2CC2)CC(F)(F)C1 ZINC001575595420 950358732 /nfs/dbraw/zinc/35/87/32/950358732.db2.gz ZXVDGKYLKVFXHC-UHFFFAOYSA-N -1 1 378.387 1.177 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCCCCN1c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001574502242 950364767 /nfs/dbraw/zinc/36/47/67/950364767.db2.gz KXQZGQSFTZKOFH-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCCCCN1c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001574502242 950364789 /nfs/dbraw/zinc/36/47/89/950364789.db2.gz KXQZGQSFTZKOFH-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)c1cc(C(=O)N(C)C[C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)n(C)n1 ZINC001574745005 950371840 /nfs/dbraw/zinc/37/18/40/950371840.db2.gz DYMUAJRMIYZOML-LLVKDONJSA-N -1 1 384.448 1.086 20 0 GDADMM CC(C)c1cc(C(=O)N(C)C[C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)n(C)n1 ZINC001574745005 950371860 /nfs/dbraw/zinc/37/18/60/950371860.db2.gz DYMUAJRMIYZOML-LLVKDONJSA-N -1 1 384.448 1.086 20 0 GDADMM CC1(C(=O)NC[C@@H]2COCCN2c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC001575596199 950373666 /nfs/dbraw/zinc/37/36/66/950373666.db2.gz SIABBOMCMWVVSG-MRVPVSSYSA-N -1 1 383.865 1.098 20 0 GDADMM CC1(C(=O)NC[C@@H]2COCCN2c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC001575596199 950373687 /nfs/dbraw/zinc/37/36/87/950373687.db2.gz SIABBOMCMWVVSG-MRVPVSSYSA-N -1 1 383.865 1.098 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cc(Cl)c[nH]1 ZINC001574162537 950386075 /nfs/dbraw/zinc/38/60/75/950386075.db2.gz CQIQCZLSRZLYEV-NSHDSACASA-N -1 1 389.851 1.895 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cc(Cl)c[nH]1 ZINC001574162537 950386086 /nfs/dbraw/zinc/38/60/86/950386086.db2.gz CQIQCZLSRZLYEV-NSHDSACASA-N -1 1 389.851 1.895 20 0 GDADMM CC(C)CC1(C(=O)N2CC[C@H](N(C)c3nccnc3-c3nnn[n-]3)C2)CCC1 ZINC001574162832 950404442 /nfs/dbraw/zinc/40/44/42/950404442.db2.gz JVLHVEZQOULWHN-AWEZNQCLSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CC1(C(=O)N2CC[C@H](N(C)c3nccnc3-c3nn[n-]n3)C2)CCC1 ZINC001574162832 950404453 /nfs/dbraw/zinc/40/44/53/950404453.db2.gz JVLHVEZQOULWHN-AWEZNQCLSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-c3nnn[n-]3)nc1)C2 ZINC001573857739 950411800 /nfs/dbraw/zinc/41/18/00/950411800.db2.gz ZBLLTLJOPJQBLN-XBFCOCLRSA-N -1 1 385.428 1.532 20 0 GDADMM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-c3nn[n-]n3)nc1)C2 ZINC001573857739 950411804 /nfs/dbraw/zinc/41/18/04/950411804.db2.gz ZBLLTLJOPJQBLN-XBFCOCLRSA-N -1 1 385.428 1.532 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1ccsc1 ZINC001575910741 950430911 /nfs/dbraw/zinc/43/09/11/950430911.db2.gz BHPNVQRZXTWTNP-YPMHNXCESA-N -1 1 384.469 1.752 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCc1ccsc1 ZINC001575910741 950430923 /nfs/dbraw/zinc/43/09/23/950430923.db2.gz BHPNVQRZXTWTNP-YPMHNXCESA-N -1 1 384.469 1.752 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@H](C)c1ccccc1F ZINC001574506431 950432323 /nfs/dbraw/zinc/43/23/23/950432323.db2.gz DFIUHQHOBUGWEO-RYUDHWBXSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@H](C)c1ccccc1F ZINC001574506431 950432333 /nfs/dbraw/zinc/43/23/33/950432333.db2.gz DFIUHQHOBUGWEO-RYUDHWBXSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@@]1(C(=O)N[C@@H]2CCN(c3nc(-c4nn[n-]n4)c(Cl)s3)C2)CCOC1 ZINC001575600123 950435866 /nfs/dbraw/zinc/43/58/66/950435866.db2.gz RRTOKCMKFYNSTE-XLKFXECMSA-N -1 1 383.865 1.098 20 0 GDADMM CC(C)(C)OC(=O)NCc1cccc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)c1 ZINC001573861139 950441177 /nfs/dbraw/zinc/44/11/77/950441177.db2.gz VHDBQXVDSURMCH-UHFFFAOYSA-N -1 1 384.400 1.867 20 0 GDADMM C[C@@H](CC(=O)NCCN(c1cnc(-c2nnn[n-]2)cn1)C1CC1)c1ccco1 ZINC001574506701 950441242 /nfs/dbraw/zinc/44/12/42/950441242.db2.gz BVMLOLYHJOLLLC-LBPRGKRZSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](CC(=O)NCCN(c1cnc(-c2nn[n-]n2)cn1)C1CC1)c1ccco1 ZINC001574506701 950441257 /nfs/dbraw/zinc/44/12/57/950441257.db2.gz BVMLOLYHJOLLLC-LBPRGKRZSA-N -1 1 382.428 1.529 20 0 GDADMM CC1(C(=O)NCc2cccc3c2CCN(c2cncc(-c4nnn[n-]4)n2)C3)CC1 ZINC001575600391 950441663 /nfs/dbraw/zinc/44/16/63/950441663.db2.gz XQNLGVLRPWDUGX-UHFFFAOYSA-N -1 1 390.451 1.636 20 0 GDADMM CC1(C(=O)NCc2cccc3c2CCN(c2cncc(-c4nn[n-]n4)n2)C3)CC1 ZINC001575600391 950441673 /nfs/dbraw/zinc/44/16/73/950441673.db2.gz XQNLGVLRPWDUGX-UHFFFAOYSA-N -1 1 390.451 1.636 20 0 GDADMM CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573861100 950442205 /nfs/dbraw/zinc/44/22/05/950442205.db2.gz SVHUPUUCOWOGIP-JOCQHMNTSA-N -1 1 387.444 1.224 20 0 GDADMM CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573861100 950442221 /nfs/dbraw/zinc/44/22/21/950442221.db2.gz SVHUPUUCOWOGIP-JOCQHMNTSA-N -1 1 387.444 1.224 20 0 GDADMM CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[n-]n3)n2)CC(F)(F)C1 ZINC001575604970 950451141 /nfs/dbraw/zinc/45/11/41/950451141.db2.gz IPHHNHQYSKVOIL-MXWKQRLJSA-N -1 1 390.398 1.318 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001574507949 950463594 /nfs/dbraw/zinc/46/35/94/950463594.db2.gz LDLQYIFULWQCSW-GUBZILKMSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001574507949 950463609 /nfs/dbraw/zinc/46/36/09/950463609.db2.gz LDLQYIFULWQCSW-GUBZILKMSA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)CC1(C(=O)N[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C2CC2)CCC1 ZINC001574166355 950464544 /nfs/dbraw/zinc/46/45/44/950464544.db2.gz PCHHMFDRXSTHAD-AWEZNQCLSA-N -1 1 384.488 1.602 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1ccccc1 ZINC001575913105 950476382 /nfs/dbraw/zinc/47/63/82/950476382.db2.gz ILASEXBNDRASKY-HIFRSBDPSA-N -1 1 378.440 1.691 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCc1ccccc1 ZINC001575913105 950476397 /nfs/dbraw/zinc/47/63/97/950476397.db2.gz ILASEXBNDRASKY-HIFRSBDPSA-N -1 1 378.440 1.691 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc(N(C)C)cc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574752330 950477634 /nfs/dbraw/zinc/47/76/34/950477634.db2.gz AYGSGCCGPDCCBN-LBPRGKRZSA-N -1 1 381.444 1.295 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc(N(C)C)cc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574752330 950477655 /nfs/dbraw/zinc/47/76/55/950477655.db2.gz AYGSGCCGPDCCBN-LBPRGKRZSA-N -1 1 381.444 1.295 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc2c(c1)CCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574752923 950503711 /nfs/dbraw/zinc/50/37/11/950503711.db2.gz GEVVFXXUVPQJPJ-GFCCVEGCSA-N -1 1 378.440 1.718 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc2c(c1)CCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574752923 950503727 /nfs/dbraw/zinc/50/37/27/950503727.db2.gz GEVVFXXUVPQJPJ-GFCCVEGCSA-N -1 1 378.440 1.718 20 0 GDADMM C[C@H](CN(C)C(=O)c1cccc(Cl)c1F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574753593 950531941 /nfs/dbraw/zinc/53/19/41/950531941.db2.gz QCHFGULHRKWJLB-SECBINFHSA-N -1 1 390.810 1.444 20 0 GDADMM CC(C)(C)OCC(=O)N[C@]12CCC[C@@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001573868286 950538682 /nfs/dbraw/zinc/53/86/82/950538682.db2.gz ASLMNFSQLBMJKJ-UGSOOPFHSA-N -1 1 386.460 1.089 20 0 GDADMM CC(C)(C)OCC(=O)N[C@]12CCC[C@@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001573868286 950538696 /nfs/dbraw/zinc/53/86/96/950538696.db2.gz ASLMNFSQLBMJKJ-UGSOOPFHSA-N -1 1 386.460 1.089 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C)c1ccccc1 ZINC001574511432 950562926 /nfs/dbraw/zinc/56/29/26/950562926.db2.gz LLJMPZXTOCDIAI-JJRVBVJISA-N -1 1 392.467 1.791 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C)c1ccccc1 ZINC001574511432 950562944 /nfs/dbraw/zinc/56/29/44/950562944.db2.gz LLJMPZXTOCDIAI-JJRVBVJISA-N -1 1 392.467 1.791 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575615609 950572182 /nfs/dbraw/zinc/57/21/82/950572182.db2.gz CWVROYAVERSNAZ-GFCCVEGCSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575615609 950572205 /nfs/dbraw/zinc/57/22/05/950572205.db2.gz CWVROYAVERSNAZ-GFCCVEGCSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)cn1C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574999257 950575782 /nfs/dbraw/zinc/57/57/82/950575782.db2.gz HZHONUFYPFSQIB-SECBINFHSA-N -1 1 375.824 1.127 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)cn1C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574999257 950575791 /nfs/dbraw/zinc/57/57/91/950575791.db2.gz HZHONUFYPFSQIB-SECBINFHSA-N -1 1 375.824 1.127 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1CCCCC1 ZINC001574511976 950582300 /nfs/dbraw/zinc/58/23/00/950582300.db2.gz YNHWVXKSBHCWPG-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1CCCCC1 ZINC001574511976 950582310 /nfs/dbraw/zinc/58/23/10/950582310.db2.gz YNHWVXKSBHCWPG-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C12CCC2 ZINC001573870299 950589177 /nfs/dbraw/zinc/58/91/77/950589177.db2.gz UROLZCDKBWMRLA-STQMWFEESA-N -1 1 386.460 1.311 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C12CCC2 ZINC001573870299 950589189 /nfs/dbraw/zinc/58/91/89/950589189.db2.gz UROLZCDKBWMRLA-STQMWFEESA-N -1 1 386.460 1.311 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001575617238 950598588 /nfs/dbraw/zinc/59/85/88/950598588.db2.gz YQEOUEWRWDIRPP-UHFFFAOYSA-N -1 1 384.488 1.768 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001575617238 950598607 /nfs/dbraw/zinc/59/86/07/950598607.db2.gz YQEOUEWRWDIRPP-UHFFFAOYSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[C@@H](C)c1ccccc1F ZINC001574513531 950609651 /nfs/dbraw/zinc/60/96/51/950609651.db2.gz SBPINGHOYVSJRH-VXGBXAGGSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[C@@H](C)c1ccccc1F ZINC001574513531 950609663 /nfs/dbraw/zinc/60/96/63/950609663.db2.gz SBPINGHOYVSJRH-VXGBXAGGSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)ccc1F)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575001160 950622170 /nfs/dbraw/zinc/62/21/70/950622170.db2.gz ULTQUOSSXSEBSC-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)ccc1F)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575001160 950622183 /nfs/dbraw/zinc/62/21/83/950622183.db2.gz ULTQUOSSXSEBSC-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)ccc1Cl)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575001458 950633093 /nfs/dbraw/zinc/63/30/93/950633093.db2.gz KUAWWGBNMTVKST-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)ccc1Cl)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575001458 950633104 /nfs/dbraw/zinc/63/31/04/950633104.db2.gz KUAWWGBNMTVKST-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM CC1(C)C(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1(C)C ZINC001575620732 950636903 /nfs/dbraw/zinc/63/69/03/950636903.db2.gz YUACIDAEMGSBDS-GFCCVEGCSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)CC2)C1(C)C ZINC001575620732 950636916 /nfs/dbraw/zinc/63/69/16/950636916.db2.gz YUACIDAEMGSBDS-GFCCVEGCSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1C[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573873349 950643869 /nfs/dbraw/zinc/64/38/69/950643869.db2.gz KFNULGHPLVDUQM-OCAPTIKFSA-N -1 1 385.881 1.851 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1C[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573873349 950643880 /nfs/dbraw/zinc/64/38/80/950643880.db2.gz KFNULGHPLVDUQM-OCAPTIKFSA-N -1 1 385.881 1.851 20 0 GDADMM CC1(C)C2CCC1(C(=O)NCC1(Nc3ccc(-c4nnn[n-]4)nn3)CC1)CC2 ZINC001575623356 950651769 /nfs/dbraw/zinc/65/17/69/950651769.db2.gz JYCRNISNUULTFY-UHFFFAOYSA-N -1 1 382.472 1.934 20 0 GDADMM CC1(C)C2CCC1(C(=O)NCC1(Nc3ccc(-c4nn[n-]n4)nn3)CC1)CC2 ZINC001575623356 950651785 /nfs/dbraw/zinc/65/17/85/950651785.db2.gz JYCRNISNUULTFY-UHFFFAOYSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1 ZINC001574518249 950651749 /nfs/dbraw/zinc/65/17/49/950651749.db2.gz MWFVKYOGANKNJY-QEJZJMRPSA-N -1 1 378.440 1.910 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1 ZINC001574518249 950651761 /nfs/dbraw/zinc/65/17/61/950651761.db2.gz MWFVKYOGANKNJY-QEJZJMRPSA-N -1 1 378.440 1.910 20 0 GDADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCCc1ccccc1 ZINC001575923257 950655593 /nfs/dbraw/zinc/65/55/93/950655593.db2.gz PZHVZPKBTJWYNN-GOEBONIOSA-N -1 1 392.467 1.503 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccnn1C1CCC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574760178 950656335 /nfs/dbraw/zinc/65/63/35/950656335.db2.gz HBAUDRKURCEVER-LLVKDONJSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccnn1C1CCC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574760178 950656353 /nfs/dbraw/zinc/65/63/53/950656353.db2.gz HBAUDRKURCEVER-LLVKDONJSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)cc(Cl)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575002433 950661319 /nfs/dbraw/zinc/66/13/19/950661319.db2.gz UEAHEURDJWXASX-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)cc(Cl)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575002433 950661344 /nfs/dbraw/zinc/66/13/44/950661344.db2.gz UEAHEURDJWXASX-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)[C@@H]1CCCO1 ZINC001574519416 950683068 /nfs/dbraw/zinc/68/30/68/950683068.db2.gz VCGFVGLNHRXNGX-BHPKHCPMSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)[C@@H]1CCCO1 ZINC001574519416 950683078 /nfs/dbraw/zinc/68/30/78/950683078.db2.gz VCGFVGLNHRXNGX-BHPKHCPMSA-N -1 1 386.460 1.169 20 0 GDADMM CC1(C)CC(C(=O)N2CCC[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)C1 ZINC001575625603 950691496 /nfs/dbraw/zinc/69/14/96/950691496.db2.gz VBEMTJOCAPTVHD-SWLSCSKDSA-N -1 1 382.472 1.520 20 0 GDADMM CC1(C)CC(C(=O)N2CCC[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]32)C1 ZINC001575625603 950691509 /nfs/dbraw/zinc/69/15/09/950691509.db2.gz VBEMTJOCAPTVHD-SWLSCSKDSA-N -1 1 382.472 1.520 20 0 GDADMM CC1(C)CC(C(=O)N2CC[C@@H]3[C@@H](CCN3c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001575625794 950694634 /nfs/dbraw/zinc/69/46/34/950694634.db2.gz WNUWFQRGSMIFEX-SWLSCSKDSA-N -1 1 382.472 1.520 20 0 GDADMM CC1(C)CC(C(=O)N2CC[C@@H]3[C@@H](CCN3c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001575625794 950694648 /nfs/dbraw/zinc/69/46/48/950694648.db2.gz WNUWFQRGSMIFEX-SWLSCSKDSA-N -1 1 382.472 1.520 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574519731 950695317 /nfs/dbraw/zinc/69/53/17/950695317.db2.gz YBGDOJLCAJCFNG-JHJVBQTASA-N -1 1 382.428 1.172 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573877791 950697019 /nfs/dbraw/zinc/69/70/19/950697019.db2.gz GJEKQHXLQQLWNQ-MGPQQGTHSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573877791 950697034 /nfs/dbraw/zinc/69/70/34/950697034.db2.gz GJEKQHXLQQLWNQ-MGPQQGTHSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C2CCC1(C(=O)N[C@H]1CCN(c3cncc(-c4nnn[n-]4)n3)C1)CC2 ZINC001575625935 950698924 /nfs/dbraw/zinc/69/89/24/950698924.db2.gz VJLLQPSFYRLWFK-MLZJXEJWSA-N -1 1 382.472 1.568 20 0 GDADMM CC1(C)C2CCC1(C(=O)N[C@H]1CCN(c3cncc(-c4nn[n-]n4)n3)C1)CC2 ZINC001575625935 950698942 /nfs/dbraw/zinc/69/89/42/950698942.db2.gz VJLLQPSFYRLWFK-MLZJXEJWSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C(F)F)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576215398 950699975 /nfs/dbraw/zinc/69/99/75/950699975.db2.gz BADGZUNGMRQZRF-NXEZZACHSA-N -1 1 380.403 1.454 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C(F)F)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576215398 950699987 /nfs/dbraw/zinc/69/99/87/950699987.db2.gz BADGZUNGMRQZRF-NXEZZACHSA-N -1 1 380.403 1.454 20 0 GDADMM CC(C)CCC(=O)NC[C@]12CCC[C@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001574179183 950700560 /nfs/dbraw/zinc/70/05/60/950700560.db2.gz FAGCEXZGZMNSKG-AUUYWEPGSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NCC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573878399 950709516 /nfs/dbraw/zinc/70/95/16/950709516.db2.gz PEADKCZRJLREOS-MGPQQGTHSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NCC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573878399 950709525 /nfs/dbraw/zinc/70/95/25/950709525.db2.gz PEADKCZRJLREOS-MGPQQGTHSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccsc1Cl)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574762478 950710833 /nfs/dbraw/zinc/71/08/33/950710833.db2.gz YDFQCVIEISCJSX-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccsc1Cl)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574762478 950710852 /nfs/dbraw/zinc/71/08/52/950710852.db2.gz YDFQCVIEISCJSX-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM CC(C)(C)c1cc(C(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)[nH]n1 ZINC001573879556 950728087 /nfs/dbraw/zinc/72/80/87/950728087.db2.gz FCKOHTARJMVOOL-AOOOYVTPSA-N -1 1 382.432 1.050 20 0 GDADMM CC(C)(C)c1cc(C(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)[nH]n1 ZINC001573879556 950728099 /nfs/dbraw/zinc/72/80/99/950728099.db2.gz FCKOHTARJMVOOL-AOOOYVTPSA-N -1 1 382.432 1.050 20 0 GDADMM CC(C)(C)c1cc(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)no1 ZINC001573879736 950731121 /nfs/dbraw/zinc/73/11/21/950731121.db2.gz KGWIFFGIIYQQFC-JTQLQIEISA-N -1 1 383.416 1.269 20 0 GDADMM CC(C)(C)c1cc(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)no1 ZINC001573879736 950731130 /nfs/dbraw/zinc/73/11/30/950731130.db2.gz KGWIFFGIIYQQFC-JTQLQIEISA-N -1 1 383.416 1.269 20 0 GDADMM CC1(C)CC(C(=O)N[C@@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C23CCC3)C1 ZINC001575629351 950734747 /nfs/dbraw/zinc/73/47/47/950734747.db2.gz MQLWPVQLRBPZPW-ZIAGYGMSSA-N -1 1 382.472 1.932 20 0 GDADMM CC1(C)CC(C(=O)N[C@@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C23CCC3)C1 ZINC001575629351 950734766 /nfs/dbraw/zinc/73/47/66/950734766.db2.gz MQLWPVQLRBPZPW-ZIAGYGMSSA-N -1 1 382.472 1.932 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cnc(C2CC2)s1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574763854 950735060 /nfs/dbraw/zinc/73/50/60/950735060.db2.gz MJGPWZMONQHTFM-VIFPVBQESA-N -1 1 385.457 1.563 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cnc(C2CC2)s1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574763854 950735071 /nfs/dbraw/zinc/73/50/71/950735071.db2.gz MJGPWZMONQHTFM-VIFPVBQESA-N -1 1 385.457 1.563 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CC(C1CC1)C1CC1 ZINC001575927097 950736279 /nfs/dbraw/zinc/73/62/79/950736279.db2.gz NHYAJVOHQKCMOE-XHDPSFHLSA-N -1 1 382.472 1.884 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CC(C1CC1)C1CC1 ZINC001575927097 950736292 /nfs/dbraw/zinc/73/62/92/950736292.db2.gz NHYAJVOHQKCMOE-XHDPSFHLSA-N -1 1 382.472 1.884 20 0 GDADMM CC(C)n1ccc(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@H]2C)n1 ZINC001575927203 950740856 /nfs/dbraw/zinc/74/08/56/950740856.db2.gz OFDCOJKCTULHJL-NEPJUHHUSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1ccc(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@H]2C)n1 ZINC001575927203 950740871 /nfs/dbraw/zinc/74/08/71/950740871.db2.gz OFDCOJKCTULHJL-NEPJUHHUSA-N -1 1 382.432 1.149 20 0 GDADMM C[C@@H](CC(=O)Nc1cccc(-c2nnn[n-]2)n1)n1cc(Br)cn1 ZINC001574520747 950747845 /nfs/dbraw/zinc/74/78/45/950747845.db2.gz YDKNLASJDPHLTQ-QMMMGPOBSA-N -1 1 377.206 1.811 20 0 GDADMM C[C@@H](CC(=O)Nc1cccc(-c2nn[n-]n2)n1)n1cc(Br)cn1 ZINC001574520747 950747865 /nfs/dbraw/zinc/74/78/65/950747865.db2.gz YDKNLASJDPHLTQ-QMMMGPOBSA-N -1 1 377.206 1.811 20 0 GDADMM CC1(C)CC(C(=O)N[C@]23CCC[C@H]2N(c2ccc(-c4nnn[n-]4)nn2)CC3)C1 ZINC001575629793 950749557 /nfs/dbraw/zinc/74/95/57/950749557.db2.gz TWDLPVUOKHGPLY-KUHUBIRLSA-N -1 1 382.472 1.711 20 0 GDADMM CC1(C)CC(C(=O)N[C@]23CCC[C@H]2N(c2ccc(-c4nn[n-]n4)nn2)CC3)C1 ZINC001575629793 950749575 /nfs/dbraw/zinc/74/95/75/950749575.db2.gz TWDLPVUOKHGPLY-KUHUBIRLSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@@H]1CN(C(=O)C(C2CC2)C2CC2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576217723 950769568 /nfs/dbraw/zinc/76/95/68/950769568.db2.gz IULVVCULNDFYNR-RISCZKNCSA-N -1 1 382.472 1.599 20 0 GDADMM C[C@@H]1CN(C(=O)C(C2CC2)C2CC2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576217723 950769587 /nfs/dbraw/zinc/76/95/87/950769587.db2.gz IULVVCULNDFYNR-RISCZKNCSA-N -1 1 382.472 1.599 20 0 GDADMM C[C@H](CN(C)C(=O)c1csc(Cl)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574765116 950773359 /nfs/dbraw/zinc/77/33/59/950773359.db2.gz FEPKIBYYAIMDKH-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CN(C)C(=O)c1csc(Cl)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574765116 950773373 /nfs/dbraw/zinc/77/33/73/950773373.db2.gz FEPKIBYYAIMDKH-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM CC1(C)CC(CC(=O)N2CCC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001575631502 950776211 /nfs/dbraw/zinc/77/62/11/950776211.db2.gz MSLYIFBHHMKCCT-ZDUSSCGKSA-N -1 1 384.488 1.555 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C(F)(F)F)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576218020 950776934 /nfs/dbraw/zinc/77/69/34/950776934.db2.gz KGMQKHBLECUTCW-DTWKUNHWSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C(F)(F)F)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576218020 950776944 /nfs/dbraw/zinc/77/69/44/950776944.db2.gz KGMQKHBLECUTCW-DTWKUNHWSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@@H]1[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)CCN1C(=O)c1ccon1 ZINC001575929565 950788350 /nfs/dbraw/zinc/78/83/50/950788350.db2.gz CPDRBKONSJQAEB-RQJHMYQMSA-N -1 1 380.821 1.680 20 0 GDADMM C[C@@H]1[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCN1C(=O)c1ccon1 ZINC001575929565 950788363 /nfs/dbraw/zinc/78/83/63/950788363.db2.gz CPDRBKONSJQAEB-RQJHMYQMSA-N -1 1 380.821 1.680 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576220543 950838619 /nfs/dbraw/zinc/83/86/19/950838619.db2.gz RMLWRUHSXSEULB-GHMZBOCLSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576220543 950838641 /nfs/dbraw/zinc/83/86/41/950838641.db2.gz RMLWRUHSXSEULB-GHMZBOCLSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H]1[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)CCN1C(=O)Cc1ccc[nH]1 ZINC001575933645 950845104 /nfs/dbraw/zinc/84/51/04/950845104.db2.gz OXQRRSRAOWPQQY-SCZZXKLOSA-N -1 1 392.876 1.949 20 0 GDADMM C[C@@H]1[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCN1C(=O)Cc1ccc[nH]1 ZINC001575933645 950845121 /nfs/dbraw/zinc/84/51/21/950845121.db2.gz OXQRRSRAOWPQQY-SCZZXKLOSA-N -1 1 392.876 1.949 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cc(Cl)cn1C ZINC001575934470 950855820 /nfs/dbraw/zinc/85/58/20/950855820.db2.gz RTJCKDJDNGKHQU-MWLCHTKSSA-N -1 1 387.835 1.364 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(Cl)cn1C ZINC001575934470 950855842 /nfs/dbraw/zinc/85/58/42/950855842.db2.gz RTJCKDJDNGKHQU-MWLCHTKSSA-N -1 1 387.835 1.364 20 0 GDADMM CC1(C)C[C@H](NC(=O)C2CC=CC2)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575639212 950857469 /nfs/dbraw/zinc/85/74/69/950857469.db2.gz PQXSMCHYZCPJDP-CQSZACIVSA-N -1 1 382.472 1.734 20 0 GDADMM CC1(C)C[C@H](NC(=O)C2CC=CC2)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575639212 950857489 /nfs/dbraw/zinc/85/74/89/950857489.db2.gz PQXSMCHYZCPJDP-CQSZACIVSA-N -1 1 382.472 1.734 20 0 GDADMM CC(C)CCCC(=O)NC[C@@]1(C)CN(c2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001574189199 950869357 /nfs/dbraw/zinc/86/93/57/950869357.db2.gz FEHGVULMFLDTRG-SFHVURJKSA-N -1 1 388.476 1.195 20 0 GDADMM CC(C)CCCC(=O)NC[C@@]1(C)CN(c2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001574189199 950869376 /nfs/dbraw/zinc/86/93/76/950869376.db2.gz FEHGVULMFLDTRG-SFHVURJKSA-N -1 1 388.476 1.195 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cc(F)ccc1F ZINC001575935370 950876386 /nfs/dbraw/zinc/87/63/86/950876386.db2.gz VTPSGKHLUFFZOJ-TVQRCGJNSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(F)ccc1F ZINC001575935370 950876408 /nfs/dbraw/zinc/87/64/08/950876408.db2.gz VTPSGKHLUFFZOJ-TVQRCGJNSA-N -1 1 386.366 1.650 20 0 GDADMM CC(C)n1cnc(C(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)[C@@H]2C)c1 ZINC001575935467 950884627 /nfs/dbraw/zinc/88/46/27/950884627.db2.gz WUUKUTQGPMWQLQ-RYUDHWBXSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1cnc(C(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)[C@@H]2C)c1 ZINC001575935467 950884644 /nfs/dbraw/zinc/88/46/44/950884644.db2.gz WUUKUTQGPMWQLQ-RYUDHWBXSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)CCCC(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@@]2(C)C1 ZINC001574190359 950911683 /nfs/dbraw/zinc/91/16/83/950911683.db2.gz XDYZCLHPJPOBMH-IFXJQAMLSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)CCCC(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@@]2(C)C1 ZINC001574190359 950911701 /nfs/dbraw/zinc/91/17/01/950911701.db2.gz XDYZCLHPJPOBMH-IFXJQAMLSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)CCCC(=O)NC[C@]1(C)CN(c2ccnc(-c3nn[n-]n3)n2)CCO1 ZINC001574190459 950912018 /nfs/dbraw/zinc/91/20/18/950912018.db2.gz YDFYRJYYYNMGCE-GOSISDBHSA-N -1 1 388.476 1.195 20 0 GDADMM CC(C)CCCC(=O)N1C[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001574190362 950913531 /nfs/dbraw/zinc/91/35/31/950913531.db2.gz XFAIUMVIHHCQQP-CABCVRRESA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)CCCC(=O)N1C[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001574190362 950913548 /nfs/dbraw/zinc/91/35/48/950913548.db2.gz XFAIUMVIHHCQQP-CABCVRRESA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1nc(Cl)cs1 ZINC001575936496 950917551 /nfs/dbraw/zinc/91/75/51/950917551.db2.gz FQIQSFLIDBXAJR-YUMQZZPRSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1nc(Cl)cs1 ZINC001575936496 950917567 /nfs/dbraw/zinc/91/75/67/950917567.db2.gz FQIQSFLIDBXAJR-YUMQZZPRSA-N -1 1 391.848 1.482 20 0 GDADMM CC1(C)C[C@H](NC(=O)[C@@H]2C[C@H]2C2CC2)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575641901 950926925 /nfs/dbraw/zinc/92/69/25/950926925.db2.gz RNLCCNAIUHIOQW-QLFBSQMISA-N -1 1 396.499 1.814 20 0 GDADMM CC1(C)C[C@H](NC(=O)[C@@H]2C[C@H]2C2CC2)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575641901 950926937 /nfs/dbraw/zinc/92/69/37/950926937.db2.gz RNLCCNAIUHIOQW-QLFBSQMISA-N -1 1 396.499 1.814 20 0 GDADMM CC(C)(CC(=O)NC[C@@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573895570 950940656 /nfs/dbraw/zinc/94/06/56/950940656.db2.gz DEFBUQQZBYKUAR-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(CC(=O)NC[C@@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573895570 950940675 /nfs/dbraw/zinc/94/06/75/950940675.db2.gz DEFBUQQZBYKUAR-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc(Cl)no1 ZINC001575937670 950954813 /nfs/dbraw/zinc/95/48/13/950954813.db2.gz LEAZSTDAYXRLKF-YUMQZZPRSA-N -1 1 375.780 1.013 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc(Cl)no1 ZINC001575937670 950954828 /nfs/dbraw/zinc/95/48/28/950954828.db2.gz LEAZSTDAYXRLKF-YUMQZZPRSA-N -1 1 375.780 1.013 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ocnc1C(F)F ZINC001575937725 950960802 /nfs/dbraw/zinc/96/08/02/950960802.db2.gz LLBULNQGMFEJFD-JGVFFNPUSA-N -1 1 391.342 1.297 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ocnc1C(F)F ZINC001575937725 950960822 /nfs/dbraw/zinc/96/08/22/950960822.db2.gz LLBULNQGMFEJFD-JGVFFNPUSA-N -1 1 391.342 1.297 20 0 GDADMM C[C@H]1CN(C(=O)CC(C)(C)C2CC2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576229454 950968401 /nfs/dbraw/zinc/96/84/01/950968401.db2.gz MVCYTALLRHRFCJ-STQMWFEESA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H]1CN(C(=O)CC(C)(C)C2CC2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576229454 950968416 /nfs/dbraw/zinc/96/84/16/950968416.db2.gz MVCYTALLRHRFCJ-STQMWFEESA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)(CC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)CC(F)F ZINC001573898115 950973813 /nfs/dbraw/zinc/97/38/13/950973813.db2.gz XDAGQQIZIJGEQB-JTQLQIEISA-N -1 1 380.403 1.423 20 0 GDADMM CC(C)(CC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)CC(F)F ZINC001573898115 950973835 /nfs/dbraw/zinc/97/38/35/950973835.db2.gz XDAGQQIZIJGEQB-JTQLQIEISA-N -1 1 380.403 1.423 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573899947 950987666 /nfs/dbraw/zinc/98/76/66/950987666.db2.gz LPUFVAHCSTWKMT-DTORHVGOSA-N -1 1 384.366 1.694 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573899947 950987679 /nfs/dbraw/zinc/98/76/79/950987679.db2.gz LPUFVAHCSTWKMT-DTORHVGOSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C2CC2)cn1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575022114 951071434 /nfs/dbraw/zinc/07/14/34/951071434.db2.gz HNNKDGUATOMULL-LLVKDONJSA-N -1 1 379.428 1.184 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C2CC2)cn1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575022114 951071439 /nfs/dbraw/zinc/07/14/39/951071439.db2.gz HNNKDGUATOMULL-LLVKDONJSA-N -1 1 379.428 1.184 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)c(Cl)c1)CNc1nccnc1-c1nnn[n-]1 ZINC001575023567 951079384 /nfs/dbraw/zinc/07/93/84/951079384.db2.gz NYEOTLWQNCZNAC-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)c(Cl)c1)CNc1nccnc1-c1nn[n-]n1 ZINC001575023567 951079400 /nfs/dbraw/zinc/07/94/00/951079400.db2.gz NYEOTLWQNCZNAC-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)cc1Cl)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575024693 951111951 /nfs/dbraw/zinc/11/19/51/951111951.db2.gz KVVVINOTFNDOPC-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)cc1Cl)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575024693 951111978 /nfs/dbraw/zinc/11/19/78/951111978.db2.gz KVVVINOTFNDOPC-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCO2)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575025048 951122352 /nfs/dbraw/zinc/12/23/52/951122352.db2.gz SWEMQPFJPGKGDS-NSHDSACASA-N -1 1 380.412 1.070 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCO2)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575025048 951122359 /nfs/dbraw/zinc/12/23/59/951122359.db2.gz SWEMQPFJPGKGDS-NSHDSACASA-N -1 1 380.412 1.070 20 0 GDADMM C[C@H](CNC(=O)c1ccccc1C(F)(F)F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575029713 951188698 /nfs/dbraw/zinc/18/86/98/951188698.db2.gz WZLAPQHEHJNTNI-SECBINFHSA-N -1 1 392.345 1.906 20 0 GDADMM C[C@H](CNC(=O)c1ccccc1C(F)(F)F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575029713 951188704 /nfs/dbraw/zinc/18/87/04/951188704.db2.gz WZLAPQHEHJNTNI-SECBINFHSA-N -1 1 392.345 1.906 20 0 GDADMM C[C@H](CNC(=O)c1cccc2c1CCCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575029908 951191767 /nfs/dbraw/zinc/19/17/67/951191767.db2.gz YQEQGDNSPCDJEY-GFCCVEGCSA-N -1 1 378.440 1.766 20 0 GDADMM C[C@H](CNC(=O)c1cccc2c1CCCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575029908 951191776 /nfs/dbraw/zinc/19/17/76/951191776.db2.gz YQEQGDNSPCDJEY-GFCCVEGCSA-N -1 1 378.440 1.766 20 0 GDADMM C[C@@H](CNC(=O)c1ccn(C)c1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575034481 951249499 /nfs/dbraw/zinc/24/94/99/951249499.db2.gz BTAYWGYTFWCIRG-QMMMGPOBSA-N -1 1 380.865 1.793 20 0 GDADMM C[C@@H](CNC(=O)c1ccn(C)c1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575034481 951249510 /nfs/dbraw/zinc/24/95/10/951249510.db2.gz BTAYWGYTFWCIRG-QMMMGPOBSA-N -1 1 380.865 1.793 20 0 GDADMM C[C@H](CNC(=O)c1ccncc1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575034566 951251214 /nfs/dbraw/zinc/25/12/14/951251214.db2.gz NQRHIEKXFSFFTJ-MRVPVSSYSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@H](CNC(=O)c1ccncc1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575034566 951251229 /nfs/dbraw/zinc/25/12/29/951251229.db2.gz NQRHIEKXFSFFTJ-MRVPVSSYSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@H](CNC(=O)c1ccn(C(C)(C)C)n1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575035177 951269225 /nfs/dbraw/zinc/26/92/25/951269225.db2.gz HBRXYTIMRZWBRW-NSHDSACASA-N -1 1 384.448 1.086 20 0 GDADMM C[C@H](CNC(=O)c1ccn(C(C)(C)C)n1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575035177 951269241 /nfs/dbraw/zinc/26/92/41/951269241.db2.gz HBRXYTIMRZWBRW-NSHDSACASA-N -1 1 384.448 1.086 20 0 GDADMM O=C([O-])CC[C@H]1CCCN(CC(=O)NCCOc2ccc3c(c2)OCO3)C1 ZINC001595019013 951307874 /nfs/dbraw/zinc/30/78/74/951307874.db2.gz LORGYNAZOWSZEX-CQSZACIVSA-N -1 1 378.425 1.487 20 0 GDADMM C[C@H](CNC(=O)c1ccsn1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575037893 951310825 /nfs/dbraw/zinc/31/08/25/951310825.db2.gz DYMYWDIQJKOQNS-ZCFIWIBFSA-N -1 1 384.878 1.911 20 0 GDADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC001592211249 951312676 /nfs/dbraw/zinc/31/26/76/951312676.db2.gz JQZAEWZZHRGRMV-LJQANCHMSA-N -1 1 392.456 1.202 20 0 GDADMM C[C@@H](CNC(=O)c1cnccn1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575047160 951452811 /nfs/dbraw/zinc/45/28/11/951452811.db2.gz YDFYNXCGJLZJMG-ZETCQYMHSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1cnccn1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575047160 951452819 /nfs/dbraw/zinc/45/28/19/951452819.db2.gz YDFYNXCGJLZJMG-ZETCQYMHSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@H](CNC(=O)c1coc(C2CCC2)n1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575056327 951519036 /nfs/dbraw/zinc/51/90/36/951519036.db2.gz HMDJLKGTKBIUCT-SNVBAGLBSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1nc(C(=O)NC[C@H](C)CNc2cnc(-c3nnn[n-]3)cn2)cs1 ZINC001575057791 951529482 /nfs/dbraw/zinc/52/94/82/951529482.db2.gz QKLKVLWULQSUMI-SNVBAGLBSA-N -1 1 387.473 1.715 20 0 GDADMM CC(C)c1nc(C(=O)NC[C@H](C)CNc2cnc(-c3nn[n-]n3)cn2)cs1 ZINC001575057791 951529489 /nfs/dbraw/zinc/52/94/89/951529489.db2.gz QKLKVLWULQSUMI-SNVBAGLBSA-N -1 1 387.473 1.715 20 0 GDADMM C[C@H](CNC(=O)c1cscc1Cl)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575060648 951546216 /nfs/dbraw/zinc/54/62/16/951546216.db2.gz BZEOKXZFELGYJF-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@H](CNC(=O)c1cscc1Cl)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575060648 951546225 /nfs/dbraw/zinc/54/62/25/951546225.db2.gz BZEOKXZFELGYJF-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@@H](CNC(=O)c1ncc(Cl)s1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575060741 951547459 /nfs/dbraw/zinc/54/74/59/951547459.db2.gz FFAIKGSWALOKBR-ZETCQYMHSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@@H](CNC(=O)c1ncc(Cl)s1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575060741 951547468 /nfs/dbraw/zinc/54/74/68/951547468.db2.gz FFAIKGSWALOKBR-ZETCQYMHSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@H](CNC(=O)c1nc(Cl)cs1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575061947 951562751 /nfs/dbraw/zinc/56/27/51/951562751.db2.gz RQNYGHKJYBVDGE-ZETCQYMHSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@H](CNC(=O)c1nc(Cl)cs1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575061947 951562756 /nfs/dbraw/zinc/56/27/56/951562756.db2.gz RQNYGHKJYBVDGE-ZETCQYMHSA-N -1 1 379.837 1.245 20 0 GDADMM CC(C)c1scnc1C(=O)NC[C@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001575067257 951607294 /nfs/dbraw/zinc/60/72/94/951607294.db2.gz POUIWIDVOXEWCA-SNVBAGLBSA-N -1 1 387.473 1.715 20 0 GDADMM CC(C)c1scnc1C(=O)NC[C@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001575067257 951607302 /nfs/dbraw/zinc/60/73/02/951607302.db2.gz POUIWIDVOXEWCA-SNVBAGLBSA-N -1 1 387.473 1.715 20 0 GDADMM C[C@@H](CNC(=O)c1noc2c1CCCCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575067574 951615224 /nfs/dbraw/zinc/61/52/24/951615224.db2.gz VRWAAHADPCYOHJ-JTQLQIEISA-N -1 1 383.416 1.144 20 0 GDADMM C[C@@H](CNC(=O)c1noc2c1CCCCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575067574 951615229 /nfs/dbraw/zinc/61/52/29/951615229.db2.gz VRWAAHADPCYOHJ-JTQLQIEISA-N -1 1 383.416 1.144 20 0 GDADMM C[C@@H](CNC(=O)c1scnc1Cl)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575069916 951646998 /nfs/dbraw/zinc/64/69/98/951646998.db2.gz NNZOALRVTJCDSA-ZETCQYMHSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@@H](CNC(=O)c1scnc1Cl)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575069916 951647004 /nfs/dbraw/zinc/64/70/04/951647004.db2.gz NNZOALRVTJCDSA-ZETCQYMHSA-N -1 1 379.837 1.021 20 0 GDADMM O=C([O-])CN1CC[C@H](N[C@@]2(c3ccc(Br)cc3)C[C@@H](O)C2)C1=O ZINC001595081799 951689085 /nfs/dbraw/zinc/68/90/85/951689085.db2.gz XKNIUMWPHXTCKP-HEHGZKQESA-N -1 1 383.242 1.074 20 0 GDADMM O=C([O-])CS(=O)(=O)CCN1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC001595123525 951987997 /nfs/dbraw/zinc/98/79/97/951987997.db2.gz GOZMFBZXEANMMB-ZDUSSCGKSA-N -1 1 390.299 1.813 20 0 GDADMM O=C([O-])CS(=O)(=O)CCNC1(c2cccc(Br)c2)CCC1 ZINC001595123973 951993204 /nfs/dbraw/zinc/99/32/04/951993204.db2.gz HQMWDOTYTMZBPE-UHFFFAOYSA-N -1 1 376.272 1.917 20 0 GDADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)c1ccccc1O)C1CC1 ZINC001575127849 952061899 /nfs/dbraw/zinc/06/18/99/952061899.db2.gz CZFBVHRWYJHPHN-SFHVURJKSA-N -1 1 380.412 1.373 20 0 GDADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)c1ccc(F)s1)C1CC1 ZINC001575129051 952074475 /nfs/dbraw/zinc/07/44/75/952074475.db2.gz PQRQRBCLMQVCEX-MRXNPFEDSA-N -1 1 388.432 1.868 20 0 GDADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)c1ccc(F)s1)C1CC1 ZINC001575129051 952074481 /nfs/dbraw/zinc/07/44/81/952074481.db2.gz PQRQRBCLMQVCEX-MRXNPFEDSA-N -1 1 388.432 1.868 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)C(C)(C)c1ccccc1 ZINC001575133645 952106207 /nfs/dbraw/zinc/10/62/07/952106207.db2.gz LTSOJESBUOMQFB-ZDUSSCGKSA-N -1 1 380.456 1.893 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)C(C)(C)c1ccccc1 ZINC001575133645 952106210 /nfs/dbraw/zinc/10/62/10/952106210.db2.gz LTSOJESBUOMQFB-ZDUSSCGKSA-N -1 1 380.456 1.893 20 0 GDADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)[C@@H]1Cc2ccccc21)C1CC1 ZINC001575134497 952110803 /nfs/dbraw/zinc/11/08/03/952110803.db2.gz INZHLKIWEFVUCJ-QRWLVFNGSA-N -1 1 390.451 1.115 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)CC[C@@H]1CC(C)(C)CO1 ZINC001575134775 952114245 /nfs/dbraw/zinc/11/42/45/952114245.db2.gz PCLNOBLXAKKIJK-CHWSQXEVSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)CC[C@@H]1CC(C)(C)CO1 ZINC001575134775 952114255 /nfs/dbraw/zinc/11/42/55/952114255.db2.gz PCLNOBLXAKKIJK-CHWSQXEVSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575136526 952128037 /nfs/dbraw/zinc/12/80/37/952128037.db2.gz WBZGUQGURDPSFT-KGLIPLIRSA-N -1 1 380.456 1.794 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575136526 952128040 /nfs/dbraw/zinc/12/80/40/952128040.db2.gz WBZGUQGURDPSFT-KGLIPLIRSA-N -1 1 380.456 1.794 20 0 GDADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)[C@H]1CC12CCCC2)C1CC1 ZINC001575136879 952129400 /nfs/dbraw/zinc/12/94/00/952129400.db2.gz QRBKJDWKMCNUHU-ACJLOTCBSA-N -1 1 382.472 1.356 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H](F)CC1CCCCC1 ZINC001575141440 952144632 /nfs/dbraw/zinc/14/46/32/952144632.db2.gz HGLHSGQSUYWUII-TZMCWYRMSA-N -1 1 390.467 1.646 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H](F)CC1CCCCC1 ZINC001575141436 952145265 /nfs/dbraw/zinc/14/52/65/952145265.db2.gz HGLHSGQSUYWUII-OCCSQVGLSA-N -1 1 390.467 1.646 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCc2ccccc2C1 ZINC001575142232 952146383 /nfs/dbraw/zinc/14/63/83/952146383.db2.gz KMBAYNORZBQIDG-CZUORRHYSA-N -1 1 392.467 1.143 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001575143451 952152814 /nfs/dbraw/zinc/15/28/14/952152814.db2.gz PNPBTXFZXHGEQT-RCDCFZSISA-N -1 1 392.467 1.531 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C[C@H]1CCc2ccccc21 ZINC001575143640 952156439 /nfs/dbraw/zinc/15/64/39/952156439.db2.gz QGCBJHIDZCOODR-UKRRQHHQSA-N -1 1 392.467 1.458 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccccc1C1CCC1 ZINC001575144861 952173567 /nfs/dbraw/zinc/17/35/67/952173567.db2.gz MVBQFDVYNKSDPM-ZDUSSCGKSA-N -1 1 392.467 1.919 20 0 GDADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)c1ccc(Cl)[nH]1)C1CC1 ZINC001575144983 952175622 /nfs/dbraw/zinc/17/56/22/952175622.db2.gz ZYSGLEYKUJPWMZ-INIZCTEOSA-N -1 1 387.835 1.071 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@]1(C)CCc2ccccc21 ZINC001575154385 952221759 /nfs/dbraw/zinc/22/17/59/952221759.db2.gz RJLVGSXLNPWDOS-RBZFPXEDSA-N -1 1 392.467 1.820 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@]1(C)CCc2ccccc21 ZINC001575154385 952221764 /nfs/dbraw/zinc/22/17/64/952221764.db2.gz RJLVGSXLNPWDOS-RBZFPXEDSA-N -1 1 392.467 1.820 20 0 GDADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)c1ccc(Cl)o1)C1CC1 ZINC001575155043 952233598 /nfs/dbraw/zinc/23/35/98/952233598.db2.gz WBHKHFDMRLXFKI-MRXNPFEDSA-N -1 1 388.819 1.914 20 0 GDADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)c1ccc(Cl)o1)C1CC1 ZINC001575155043 952233607 /nfs/dbraw/zinc/23/36/07/952233607.db2.gz WBHKHFDMRLXFKI-MRXNPFEDSA-N -1 1 388.819 1.914 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)C(C)(C)c1ccccc1 ZINC001575155566 952241664 /nfs/dbraw/zinc/24/16/64/952241664.db2.gz NLUMARZIALDNBG-ZDUSSCGKSA-N -1 1 380.456 1.893 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)C(C)(C)c1ccccc1 ZINC001575155566 952241668 /nfs/dbraw/zinc/24/16/68/952241668.db2.gz NLUMARZIALDNBG-ZDUSSCGKSA-N -1 1 380.456 1.893 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1ccc2c(c1)COC2 ZINC001575158070 952270322 /nfs/dbraw/zinc/27/03/22/952270322.db2.gz RTJLJBADMYLYKS-LLVKDONJSA-N -1 1 380.412 1.260 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc2c(c1)COC2 ZINC001575158070 952270328 /nfs/dbraw/zinc/27/03/28/952270328.db2.gz RTJLJBADMYLYKS-LLVKDONJSA-N -1 1 380.412 1.260 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)c1cnn(C)c1 ZINC001575163950 952283271 /nfs/dbraw/zinc/28/32/71/952283271.db2.gz AJOPWOOJRNHERV-ZETCQYMHSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)c1cnn(C)c1 ZINC001575163950 952283278 /nfs/dbraw/zinc/28/32/78/952283278.db2.gz AJOPWOOJRNHERV-ZETCQYMHSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)CC1(O)CCC1 ZINC001575164791 952299723 /nfs/dbraw/zinc/29/97/23/952299723.db2.gz HUQCDKPSRGESJQ-QMMMGPOBSA-N -1 1 385.881 1.541 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)[C@]12C[C@H]1COC2 ZINC001575165968 952317270 /nfs/dbraw/zinc/31/72/70/952317270.db2.gz RJNZFEGSSXUSPE-FZVNPBSJSA-N -1 1 383.865 1.272 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)[C@]12C[C@H]1COC2 ZINC001575165968 952317275 /nfs/dbraw/zinc/31/72/75/952317275.db2.gz RJNZFEGSSXUSPE-FZVNPBSJSA-N -1 1 383.865 1.272 20 0 GDADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)[C@]1(C)CCOC1 ZINC001575166203 952322372 /nfs/dbraw/zinc/32/23/72/952322372.db2.gz SVFHKRXZJPLNQR-XLKFXECMSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)C[C@@H]1CCOC1 ZINC001575166261 952322509 /nfs/dbraw/zinc/32/25/09/952322509.db2.gz UFKQELVXKOWNNN-IUCAKERBSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)C[C@@H]1CCOC1 ZINC001575166261 952322517 /nfs/dbraw/zinc/32/25/17/952322517.db2.gz UFKQELVXKOWNNN-IUCAKERBSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)CCc1ccc(F)cc1 ZINC001575173833 952357908 /nfs/dbraw/zinc/35/79/08/952357908.db2.gz AXFNXQKBVLFBIS-LBPRGKRZSA-N -1 1 384.419 1.687 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)CCc1ccc(F)cc1 ZINC001575173833 952357915 /nfs/dbraw/zinc/35/79/15/952357915.db2.gz AXFNXQKBVLFBIS-LBPRGKRZSA-N -1 1 384.419 1.687 20 0 GDADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)CC[C@H]1CCOC1)C1CC1 ZINC001575173950 952360500 /nfs/dbraw/zinc/36/05/00/952360500.db2.gz DFHYLPQAXTXWDE-KPZWWZAWSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)CC[C@H]1CCOC1)C1CC1 ZINC001575173950 952360506 /nfs/dbraw/zinc/36/05/06/952360506.db2.gz DFHYLPQAXTXWDE-KPZWWZAWSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)CC1(C(F)(F)F)CC1 ZINC001575174961 952382233 /nfs/dbraw/zinc/38/22/33/952382233.db2.gz UWWBRKLJTAUION-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)CC1(C(F)(F)F)CC1 ZINC001575174961 952382240 /nfs/dbraw/zinc/38/22/40/952382240.db2.gz UWWBRKLJTAUION-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)[C@@H]1CCCOCC1)C1CC1 ZINC001575175240 952383831 /nfs/dbraw/zinc/38/38/31/952383831.db2.gz WFNAKURYGKHCAN-KZULUSFZSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)[C@@H]1CCCOCC1)C1CC1 ZINC001575175240 952383837 /nfs/dbraw/zinc/38/38/37/952383837.db2.gz WFNAKURYGKHCAN-KZULUSFZSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)CCn1cccc1)C1CC1 ZINC001575175825 952389362 /nfs/dbraw/zinc/38/93/62/952389362.db2.gz YSLSWSLMJVUXTC-SFHVURJKSA-N -1 1 381.444 1.245 20 0 GDADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)CCn1cccc1)C1CC1 ZINC001575175825 952389371 /nfs/dbraw/zinc/38/93/71/952389371.db2.gz YSLSWSLMJVUXTC-SFHVURJKSA-N -1 1 381.444 1.245 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)Cc1ccc[nH]1 ZINC001575177025 952397801 /nfs/dbraw/zinc/39/78/01/952397801.db2.gz GEFILXKDXROUKG-MRVPVSSYSA-N -1 1 380.865 1.806 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)Cc1ccc[nH]1 ZINC001575177025 952397808 /nfs/dbraw/zinc/39/78/08/952397808.db2.gz GEFILXKDXROUKG-MRVPVSSYSA-N -1 1 380.865 1.806 20 0 GDADMM C[C@H](COc1ccc(F)cc1)NC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001575179116 952409890 /nfs/dbraw/zinc/40/98/90/952409890.db2.gz SUNCSROYMFRKSN-SECBINFHSA-N -1 1 377.405 1.729 20 0 GDADMM C[C@H](COc1ccc(F)cc1)NC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001575179116 952409894 /nfs/dbraw/zinc/40/98/94/952409894.db2.gz SUNCSROYMFRKSN-SECBINFHSA-N -1 1 377.405 1.729 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1c[nH]nc1C(C)(C)C ZINC001575179671 952412701 /nfs/dbraw/zinc/41/27/01/952412701.db2.gz QLYPJECJOVLBGH-SNVBAGLBSA-N -1 1 384.448 1.250 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1c[nH]nc1C(C)(C)C ZINC001575179671 952412707 /nfs/dbraw/zinc/41/27/07/952412707.db2.gz QLYPJECJOVLBGH-SNVBAGLBSA-N -1 1 384.448 1.250 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1onc2c1CCCC2 ZINC001575180499 952418592 /nfs/dbraw/zinc/41/85/92/952418592.db2.gz UYMNKUAPCBDEJH-JTQLQIEISA-N -1 1 383.416 1.096 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1onc2c1CCCC2 ZINC001575180499 952418596 /nfs/dbraw/zinc/41/85/96/952418596.db2.gz UYMNKUAPCBDEJH-JTQLQIEISA-N -1 1 383.416 1.096 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H](C)Cc1ccc(F)cc1 ZINC001575188456 952447924 /nfs/dbraw/zinc/44/79/24/952447924.db2.gz IJPHOZXFGXTBLD-VXGBXAGGSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H](C)Cc1ccc(F)cc1 ZINC001575188456 952447928 /nfs/dbraw/zinc/44/79/28/952447928.db2.gz IJPHOZXFGXTBLD-VXGBXAGGSA-N -1 1 384.419 1.591 20 0 GDADMM O=C(NCc1cccnc1)Nc1ccc(Br)c(-c2nnn[n-]2)n1 ZINC001571115317 952466758 /nfs/dbraw/zinc/46/67/58/952466758.db2.gz UPLWKVUTIHWHQW-UHFFFAOYSA-N -1 1 375.190 1.741 20 0 GDADMM O=C(NCc1cccnc1)Nc1ccc(Br)c(-c2nn[n-]n2)n1 ZINC001571115317 952466760 /nfs/dbraw/zinc/46/67/60/952466760.db2.gz UPLWKVUTIHWHQW-UHFFFAOYSA-N -1 1 375.190 1.741 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCC1 ZINC001575195907 952473218 /nfs/dbraw/zinc/47/32/18/952473218.db2.gz DEGAYVGGPZYYHG-GFCCVEGCSA-N -1 1 382.428 1.579 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCC1 ZINC001575195907 952473221 /nfs/dbraw/zinc/47/32/21/952473221.db2.gz DEGAYVGGPZYYHG-GFCCVEGCSA-N -1 1 382.428 1.579 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575196819 952477184 /nfs/dbraw/zinc/47/71/84/952477184.db2.gz JKSNUUITXMKYGD-OLZOCXBDSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575196819 952477187 /nfs/dbraw/zinc/47/71/87/952477187.db2.gz JKSNUUITXMKYGD-OLZOCXBDSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575197583 952485851 /nfs/dbraw/zinc/48/58/51/952485851.db2.gz XFESIHHZIJUCHB-CHWSQXEVSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575197583 952485854 /nfs/dbraw/zinc/48/58/54/952485854.db2.gz XFESIHHZIJUCHB-CHWSQXEVSA-N -1 1 382.428 1.214 20 0 GDADMM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cccc2c1CCC2 ZINC001571119369 952491208 /nfs/dbraw/zinc/49/12/08/952491208.db2.gz AGZHKEWGHSPOHH-CYBMUJFWSA-N -1 1 376.424 1.154 20 0 GDADMM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cccc2c1CCC2 ZINC001571119369 952491210 /nfs/dbraw/zinc/49/12/10/952491210.db2.gz AGZHKEWGHSPOHH-CYBMUJFWSA-N -1 1 376.424 1.154 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@H]2C)cc1 ZINC001571121163 952516912 /nfs/dbraw/zinc/51/69/12/952516912.db2.gz XARYMRGHSCBPBI-IUODEOHRSA-N -1 1 376.424 1.437 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2)c1ccccc1 ZINC001571121345 952519347 /nfs/dbraw/zinc/51/93/47/952519347.db2.gz YZFONWDOXIGXFA-GJZGRUSLSA-N -1 1 376.424 1.810 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2)c1ccccc1 ZINC001571121345 952519352 /nfs/dbraw/zinc/51/93/52/952519352.db2.gz YZFONWDOXIGXFA-GJZGRUSLSA-N -1 1 376.424 1.810 20 0 GDADMM O=C(N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccsc1Cl ZINC001571121928 952522582 /nfs/dbraw/zinc/52/25/82/952522582.db2.gz FKIZKBUDIOHCPF-MRVPVSSYSA-N -1 1 376.833 1.380 20 0 GDADMM O=C(N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccsc1Cl ZINC001571121928 952522587 /nfs/dbraw/zinc/52/25/87/952522587.db2.gz FKIZKBUDIOHCPF-MRVPVSSYSA-N -1 1 376.833 1.380 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC(N(C)C(=O)C(C)(C)F)CC2)n1 ZINC001571122394 952525589 /nfs/dbraw/zinc/52/55/89/952525589.db2.gz JJYHXYGPZMBRIV-UHFFFAOYSA-N -1 1 376.440 1.394 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC(N(C)C(=O)C(C)(C)F)CC2)n1 ZINC001571122394 952525593 /nfs/dbraw/zinc/52/55/93/952525593.db2.gz JJYHXYGPZMBRIV-UHFFFAOYSA-N -1 1 376.440 1.394 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cccc(C2CC2)c1 ZINC001571122832 952526015 /nfs/dbraw/zinc/52/60/15/952526015.db2.gz MEGCADYVJJCHTN-SHTZXODSSA-N -1 1 376.424 1.907 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cccc(C2CC2)c1 ZINC001571122832 952526019 /nfs/dbraw/zinc/52/60/19/952526019.db2.gz MEGCADYVJJCHTN-SHTZXODSSA-N -1 1 376.424 1.907 20 0 GDADMM O=C(N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1csc(Cl)c1 ZINC001571122806 952526263 /nfs/dbraw/zinc/52/62/63/952526263.db2.gz LNPNWNZRLLLTEZ-VIFPVBQESA-N -1 1 376.833 1.380 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575214904 952566308 /nfs/dbraw/zinc/56/63/08/952566308.db2.gz PHFQPULNSLKBGU-JTQLQIEISA-N -1 1 380.403 1.281 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575214904 952566313 /nfs/dbraw/zinc/56/63/13/952566313.db2.gz PHFQPULNSLKBGU-JTQLQIEISA-N -1 1 380.403 1.281 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)CC3CC(F)(F)C3)C2)n1 ZINC001571129483 952575197 /nfs/dbraw/zinc/57/51/97/952575197.db2.gz DYIVUHWWYMUPLN-NSHDSACASA-N -1 1 378.387 1.095 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)CC3CC(F)(F)C3)C2)n1 ZINC001571129483 952575198 /nfs/dbraw/zinc/57/51/98/952575198.db2.gz DYIVUHWWYMUPLN-NSHDSACASA-N -1 1 378.387 1.095 20 0 GDADMM O=C(N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)C1(C(F)F)CCCC1 ZINC001571129744 952576724 /nfs/dbraw/zinc/57/67/24/952576724.db2.gz IGOSBWDRNGXBHC-JTQLQIEISA-N -1 1 378.387 1.495 20 0 GDADMM O=C(N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)C1(C(F)F)CCCC1 ZINC001571129744 952576728 /nfs/dbraw/zinc/57/67/28/952576728.db2.gz IGOSBWDRNGXBHC-JTQLQIEISA-N -1 1 378.387 1.495 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)CC1)[C@H]1CC1(F)F ZINC001571129834 952576905 /nfs/dbraw/zinc/57/69/05/952576905.db2.gz KCTFTJQAYLULOU-GMTAPVOTSA-N -1 1 378.387 1.399 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)CC1)[C@H]1CC1(F)F ZINC001571129834 952576908 /nfs/dbraw/zinc/57/69/08/952576908.db2.gz KCTFTJQAYLULOU-GMTAPVOTSA-N -1 1 378.387 1.399 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571130157 952578727 /nfs/dbraw/zinc/57/87/27/952578727.db2.gz OWABFYDPMVHHFM-KOLCDFICSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571130157 952578730 /nfs/dbraw/zinc/57/87/30/952578730.db2.gz OWABFYDPMVHHFM-KOLCDFICSA-N -1 1 378.387 1.351 20 0 GDADMM COc1ccc(S(=O)(=O)NCc2ccnc(-c3nnn[n-]3)c2)c(C)c1F ZINC001571130488 952581161 /nfs/dbraw/zinc/58/11/61/952581161.db2.gz RPNWVUZDRQPUAN-UHFFFAOYSA-N -1 1 378.389 1.196 20 0 GDADMM COc1ccc(S(=O)(=O)NCc2ccnc(-c3nn[n-]n3)c2)c(C)c1F ZINC001571130488 952581165 /nfs/dbraw/zinc/58/11/65/952581165.db2.gz RPNWVUZDRQPUAN-UHFFFAOYSA-N -1 1 378.389 1.196 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571134558 952591887 /nfs/dbraw/zinc/59/18/87/952591887.db2.gz GUOHSVVNJIMAMR-CQSZACIVSA-N -1 1 378.440 1.184 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571134558 952591892 /nfs/dbraw/zinc/59/18/92/952591892.db2.gz GUOHSVVNJIMAMR-CQSZACIVSA-N -1 1 378.440 1.184 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCCN2C(=O)C2C=CC=CC=C2)n1 ZINC001571134583 952592727 /nfs/dbraw/zinc/59/27/27/952592727.db2.gz HLAYETVVRVBKGH-OAHLLOKOSA-N -1 1 378.440 1.666 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCCN2C(=O)C2C=CC=CC=C2)n1 ZINC001571134583 952592731 /nfs/dbraw/zinc/59/27/31/952592731.db2.gz HLAYETVVRVBKGH-OAHLLOKOSA-N -1 1 378.440 1.666 20 0 GDADMM Cc1cccc(C)c1C(=O)NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571135016 952598283 /nfs/dbraw/zinc/59/82/83/952598283.db2.gz PVPZUIIKJFKXKT-CQSZACIVSA-N -1 1 378.440 1.672 20 0 GDADMM Cc1cccc(C)c1C(=O)NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571135016 952598285 /nfs/dbraw/zinc/59/82/85/952598285.db2.gz PVPZUIIKJFKXKT-CQSZACIVSA-N -1 1 378.440 1.672 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001571135308 952602516 /nfs/dbraw/zinc/60/25/16/952602516.db2.gz VNAZCTPGXIDNQX-UKRRQHHQSA-N -1 1 378.440 1.976 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001571135308 952602520 /nfs/dbraw/zinc/60/25/20/952602520.db2.gz VNAZCTPGXIDNQX-UKRRQHHQSA-N -1 1 378.440 1.976 20 0 GDADMM Cc1ccc(C(=O)N2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C[C@@H]2C)cc1C ZINC001571135452 952604024 /nfs/dbraw/zinc/60/40/24/952604024.db2.gz XVWCQVDDTNMGQK-ZFWWWQNUSA-N -1 1 378.440 1.989 20 0 GDADMM Cc1ccc(C(=O)N2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C[C@@H]2C)cc1C ZINC001571135452 952604027 /nfs/dbraw/zinc/60/40/27/952604027.db2.gz XVWCQVDDTNMGQK-ZFWWWQNUSA-N -1 1 378.440 1.989 20 0 GDADMM Cc1cccnc1CCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC001571142511 952643203 /nfs/dbraw/zinc/64/32/03/952643203.db2.gz SSKZCIZXMLGLSD-UHFFFAOYSA-N -1 1 378.845 1.745 20 0 GDADMM Cc1cccnc1CCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC001571142511 952643204 /nfs/dbraw/zinc/64/32/04/952643204.db2.gz SSKZCIZXMLGLSD-UHFFFAOYSA-N -1 1 378.845 1.745 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)CC1)c1ccncc1 ZINC001571146876 952654543 /nfs/dbraw/zinc/65/45/43/952654543.db2.gz OOAGMUJNQKMRJH-MQMHXKEQSA-N -1 1 379.428 1.452 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)CC1)c1ccncc1 ZINC001571146876 952654546 /nfs/dbraw/zinc/65/45/46/952654546.db2.gz OOAGMUJNQKMRJH-MQMHXKEQSA-N -1 1 379.428 1.452 20 0 GDADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H]1CCCN(C(=O)c2ccccn2)C1 ZINC001571147735 952663904 /nfs/dbraw/zinc/66/39/04/952663904.db2.gz PFJKRTDKXQRJFJ-STQMWFEESA-N -1 1 379.428 1.405 20 0 GDADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H]1CCCN(C(=O)c2ccccn2)C1 ZINC001571147735 952663907 /nfs/dbraw/zinc/66/39/07/952663907.db2.gz PFJKRTDKXQRJFJ-STQMWFEESA-N -1 1 379.428 1.405 20 0 GDADMM CCc1ccnc(C(=O)N[C@]2(C)CCN(c3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571148435 952667116 /nfs/dbraw/zinc/66/71/16/952667116.db2.gz ZNDXDFZDHAOKSZ-GOSISDBHSA-N -1 1 379.428 1.013 20 0 GDADMM CCc1ccnc(C(=O)N[C@]2(C)CCN(c3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571148435 952667120 /nfs/dbraw/zinc/66/71/20/952667120.db2.gz ZNDXDFZDHAOKSZ-GOSISDBHSA-N -1 1 379.428 1.013 20 0 GDADMM O=C(NC[C@H]1CCCN1c1snc(Cl)c1-c1nnn[n-]1)c1cn[nH]c1 ZINC001571152894 952683645 /nfs/dbraw/zinc/68/36/45/952683645.db2.gz KLJMEWZTEQWNRU-MRVPVSSYSA-N -1 1 379.837 1.099 20 0 GDADMM O=C(NC[C@H]1CCCN1c1snc(Cl)c1-c1nn[n-]n1)c1cn[nH]c1 ZINC001571152894 952683648 /nfs/dbraw/zinc/68/36/48/952683648.db2.gz KLJMEWZTEQWNRU-MRVPVSSYSA-N -1 1 379.837 1.099 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC(C)(F)F)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571155032 952691536 /nfs/dbraw/zinc/69/15/36/952691536.db2.gz FJWRCWRDYJKSJX-GHMZBOCLSA-N -1 1 380.403 1.163 20 0 GDADMM C[C@H](C(=O)N1CCC(CNc2cnc(-c3nnn[n-]3)cn2)CC1)C(C)(F)F ZINC001571155122 952692515 /nfs/dbraw/zinc/69/25/15/952692515.db2.gz ILKGMQMALAXUMN-SNVBAGLBSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H](C(=O)N1CCC(CNc2cnc(-c3nn[n-]n3)cn2)CC1)C(C)(F)F ZINC001571155122 952692519 /nfs/dbraw/zinc/69/25/19/952692519.db2.gz ILKGMQMALAXUMN-SNVBAGLBSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C(C)(F)F ZINC001571155385 952695503 /nfs/dbraw/zinc/69/55/03/952695503.db2.gz QAVCIZIHQLHKOB-QWRGUYRKSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C(C)(F)F ZINC001571155385 952695506 /nfs/dbraw/zinc/69/55/06/952695506.db2.gz QAVCIZIHQLHKOB-QWRGUYRKSA-N -1 1 380.403 1.599 20 0 GDADMM Cc1cccc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)[C@@H](C)C2)n1 ZINC001571156773 952704992 /nfs/dbraw/zinc/70/49/92/952704992.db2.gz JIWWGSHMIWVSOY-STQMWFEESA-N -1 1 379.428 1.147 20 0 GDADMM COc1ccccc1C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC001571157847 952708434 /nfs/dbraw/zinc/70/84/34/952708434.db2.gz ABLLEKPHZDQTJT-WCQYABFASA-N -1 1 380.412 1.380 20 0 GDADMM COc1ccccc1C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)[C@@H]1C ZINC001571157847 952708435 /nfs/dbraw/zinc/70/84/35/952708435.db2.gz ABLLEKPHZDQTJT-WCQYABFASA-N -1 1 380.412 1.380 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H]([C@H](C)Nc3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001571158063 952708799 /nfs/dbraw/zinc/70/87/99/952708799.db2.gz QMEVHUKXIPVXQT-JSGCOSHPSA-N -1 1 379.428 1.323 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H]([C@H](C)Nc3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571158063 952708802 /nfs/dbraw/zinc/70/88/02/952708802.db2.gz QMEVHUKXIPVXQT-JSGCOSHPSA-N -1 1 379.428 1.323 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CCC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001571158043 952708847 /nfs/dbraw/zinc/70/88/47/952708847.db2.gz QCICDSSYRPZFMQ-KGLIPLIRSA-N -1 1 379.428 1.513 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CCC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571158043 952708849 /nfs/dbraw/zinc/70/88/49/952708849.db2.gz QCICDSSYRPZFMQ-KGLIPLIRSA-N -1 1 379.428 1.513 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H]3CN(c4nc(C)cc(-c5nnn[n-]5)n4)C[C@H]32)co1 ZINC001571158228 952710345 /nfs/dbraw/zinc/71/03/45/952710345.db2.gz FGFHYOHGXZTWRJ-SWLSCSKDSA-N -1 1 380.412 1.217 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H]3CN(c4nc(C)cc(-c5nn[n-]n5)n4)C[C@H]32)co1 ZINC001571158228 952710348 /nfs/dbraw/zinc/71/03/48/952710348.db2.gz FGFHYOHGXZTWRJ-SWLSCSKDSA-N -1 1 380.412 1.217 20 0 GDADMM Cc1ccc(C(=O)NC2CCC(Nc3cnc(-c4nnn[n-]4)cn3)CC2)cn1 ZINC001571158137 952710364 /nfs/dbraw/zinc/71/03/64/952710364.db2.gz RYNGDIKZGRXSFE-UHFFFAOYSA-N -1 1 379.428 1.513 20 0 GDADMM Cc1ccc(C(=O)NC2CCC(Nc3cnc(-c4nn[n-]n4)cn3)CC2)cn1 ZINC001571158137 952710367 /nfs/dbraw/zinc/71/03/67/952710367.db2.gz RYNGDIKZGRXSFE-UHFFFAOYSA-N -1 1 379.428 1.513 20 0 GDADMM Cc1cc(C(=O)N(C)[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)cc(C)n1 ZINC001571159700 952720245 /nfs/dbraw/zinc/72/02/45/952720245.db2.gz VUENIMSMCXKEQE-CQSZACIVSA-N -1 1 379.428 1.019 20 0 GDADMM O=C(NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)[C@@H]1C[C@H]1c1ccco1 ZINC001571160671 952727904 /nfs/dbraw/zinc/72/79/04/952727904.db2.gz LGBBWSRMIPXVJN-CHWSQXEVSA-N -1 1 380.412 1.138 20 0 GDADMM O=C(NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)[C@@H]1C[C@H]1c1ccco1 ZINC001571160671 952727906 /nfs/dbraw/zinc/72/79/06/952727906.db2.gz LGBBWSRMIPXVJN-CHWSQXEVSA-N -1 1 380.412 1.138 20 0 GDADMM Cc1coc(C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2nccnc2-c2nnn[n-]2)c1 ZINC001571161248 952731990 /nfs/dbraw/zinc/73/19/90/952731990.db2.gz SOKJKFXUASCOPV-OLZOCXBDSA-N -1 1 380.412 1.442 20 0 GDADMM Cc1coc(C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2nccnc2-c2nn[n-]n2)c1 ZINC001571161248 952731994 /nfs/dbraw/zinc/73/19/94/952731994.db2.gz SOKJKFXUASCOPV-OLZOCXBDSA-N -1 1 380.412 1.442 20 0 GDADMM CN(C(=O)c1cnco1)[C@@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571171723 952796294 /nfs/dbraw/zinc/79/62/94/952796294.db2.gz FEKNHKPNSAVMLG-SSDOTTSWSA-N -1 1 380.821 1.316 20 0 GDADMM CN(C(=O)c1cnco1)[C@@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571171723 952796296 /nfs/dbraw/zinc/79/62/96/952796296.db2.gz FEKNHKPNSAVMLG-SSDOTTSWSA-N -1 1 380.821 1.316 20 0 GDADMM O=C([C@H]1C[C@H]2C[C@H]2C1)N1CC[C@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571171736 952797054 /nfs/dbraw/zinc/79/70/54/952797054.db2.gz FMUSLQUOWMQDPM-HLBODDRNSA-N -1 1 380.456 1.132 20 0 GDADMM O=C(N[C@@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C12CCC2)C1CC2(CC2)C1 ZINC001571172006 952800407 /nfs/dbraw/zinc/80/04/07/952800407.db2.gz KCXWQKOPGIWSSB-ZIAGYGMSSA-N -1 1 380.456 1.686 20 0 GDADMM O=C(N[C@@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C12CCC2)C1CC2(CC2)C1 ZINC001571172006 952800410 /nfs/dbraw/zinc/80/04/10/952800410.db2.gz KCXWQKOPGIWSSB-ZIAGYGMSSA-N -1 1 380.456 1.686 20 0 GDADMM O=C(N[C@]12CCC[C@H]1CN(c1ccc(-c3nnn[n-]3)nn1)C2)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001571172031 952800481 /nfs/dbraw/zinc/80/04/81/952800481.db2.gz KUCWDPXTIAEVCU-YXOZWXIDSA-N -1 1 380.456 1.178 20 0 GDADMM O=C(N[C@]12CCC[C@H]1CN(c1ccc(-c3nn[n-]n3)nn1)C2)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001571172031 952800485 /nfs/dbraw/zinc/80/04/85/952800485.db2.gz KUCWDPXTIAEVCU-YXOZWXIDSA-N -1 1 380.456 1.178 20 0 GDADMM O=C([C@H]1C[C@H]2C[C@H]2C1)N1CC[C@H]2[C@@H](CCN2c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571172369 952806680 /nfs/dbraw/zinc/80/66/80/952806680.db2.gz UEIBOCQWLBKCGY-JAAXMTQOSA-N -1 1 380.456 1.130 20 0 GDADMM O=C([C@H]1C[C@H]2C[C@H]2C1)N1CC[C@H]2[C@@H](CCN2c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571172369 952806685 /nfs/dbraw/zinc/80/66/85/952806685.db2.gz UEIBOCQWLBKCGY-JAAXMTQOSA-N -1 1 380.456 1.130 20 0 GDADMM O=C(C1=CCCCCC1)N1CC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001571172375 952807074 /nfs/dbraw/zinc/80/70/74/952807074.db2.gz UGDRZRFZXSKUOI-GOEBONIOSA-N -1 1 380.456 1.584 20 0 GDADMM O=C(C1=CCCCCC1)N1CC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571172375 952807077 /nfs/dbraw/zinc/80/70/77/952807077.db2.gz UGDRZRFZXSKUOI-GOEBONIOSA-N -1 1 380.456 1.584 20 0 GDADMM Cc1[nH]nc(NC(=O)[C@@H]2CCCN2C(=O)Nc2ccccc2)c1-c1nn[n-]n1 ZINC001571175691 952824804 /nfs/dbraw/zinc/82/48/04/952824804.db2.gz FGYOKJRBKTVVOZ-LBPRGKRZSA-N -1 1 381.400 1.533 20 0 GDADMM O=C(c1cc(C2CC2)no1)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001571178571 952843378 /nfs/dbraw/zinc/84/33/78/952843378.db2.gz NIGQRKNKYPBKEI-UHFFFAOYSA-N -1 1 381.400 1.239 20 0 GDADMM O=C(c1cc(C2CC2)no1)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001571178571 952843381 /nfs/dbraw/zinc/84/33/81/952843381.db2.gz NIGQRKNKYPBKEI-UHFFFAOYSA-N -1 1 381.400 1.239 20 0 GDADMM CC(C)c1[nH]ccc1C(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571179397 952853685 /nfs/dbraw/zinc/85/36/85/952853685.db2.gz DAMGFUJNFJKCON-LBPRGKRZSA-N -1 1 381.444 1.825 20 0 GDADMM CC(C)c1[nH]ccc1C(=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571179397 952853693 /nfs/dbraw/zinc/85/36/93/952853693.db2.gz DAMGFUJNFJKCON-LBPRGKRZSA-N -1 1 381.444 1.825 20 0 GDADMM Cc1ccncc1C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571183350 952876793 /nfs/dbraw/zinc/87/67/93/952876793.db2.gz YCGBSIGPRTVLAC-AWEZNQCLSA-N -1 1 381.415 1.714 20 0 GDADMM Cc1ccncc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571183350 952876795 /nfs/dbraw/zinc/87/67/95/952876795.db2.gz YCGBSIGPRTVLAC-AWEZNQCLSA-N -1 1 381.415 1.714 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)c3cccn3C)[C@@H](C)C2)n1 ZINC001571184665 952896304 /nfs/dbraw/zinc/89/63/04/952896304.db2.gz CPGCIXFKGKBGMR-STQMWFEESA-N -1 1 381.444 1.409 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)c3cccn3C)[C@@H](C)C2)n1 ZINC001571184665 952896308 /nfs/dbraw/zinc/89/63/08/952896308.db2.gz CPGCIXFKGKBGMR-STQMWFEESA-N -1 1 381.444 1.409 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCC[C@H](NC(=O)c3ccn(C)c3)C2)n1 ZINC001571186323 952906498 /nfs/dbraw/zinc/90/64/98/952906498.db2.gz WNOICLFVPAVFOJ-KBPBESRZSA-N -1 1 381.444 1.457 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCC[C@H](NC(=O)c3ccn(C)c3)C2)n1 ZINC001571186323 952906503 /nfs/dbraw/zinc/90/65/03/952906503.db2.gz WNOICLFVPAVFOJ-KBPBESRZSA-N -1 1 381.444 1.457 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CCCC[C@H]1[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571188174 952912757 /nfs/dbraw/zinc/91/27/57/952912757.db2.gz HINYKRRIGJCRLP-OCCSQVGLSA-N -1 1 381.444 1.789 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CCCC[C@H]1[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571188174 952912758 /nfs/dbraw/zinc/91/27/58/952912758.db2.gz HINYKRRIGJCRLP-OCCSQVGLSA-N -1 1 381.444 1.789 20 0 GDADMM Cc1ccn(C)c1C(=O)N[C@H]1CC[C@@H](C)N(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571189050 952923671 /nfs/dbraw/zinc/92/36/71/952923671.db2.gz QXZPDYDRJWSVBO-OLZOCXBDSA-N -1 1 381.444 1.091 20 0 GDADMM O=C(Nc1ccc(Br)c(-c2nnn[n-]2)n1)c1cncc(Cl)n1 ZINC001571190776 952942899 /nfs/dbraw/zinc/94/28/99/952942899.db2.gz LRDGTLYFRUTTJL-UHFFFAOYSA-N -1 1 381.581 1.720 20 0 GDADMM O=C(Nc1ccc(Br)c(-c2nn[n-]n2)n1)c1cncc(Cl)n1 ZINC001571190776 952942902 /nfs/dbraw/zinc/94/29/02/952942902.db2.gz LRDGTLYFRUTTJL-UHFFFAOYSA-N -1 1 381.581 1.720 20 0 GDADMM CC[C@@H](SC)C(=O)N1CC[C@H](N(C)c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571191264 952945450 /nfs/dbraw/zinc/94/54/50/952945450.db2.gz OYZVACFBFZMUDA-WDEREUQCSA-N -1 1 381.531 1.810 20 0 GDADMM Cc1ccc(F)c(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@H]2C)c1 ZINC001571196033 952979243 /nfs/dbraw/zinc/97/92/43/952979243.db2.gz GUVSZJRVGFQXDG-RISCZKNCSA-N -1 1 382.403 1.241 20 0 GDADMM O=C(Cc1ccc(F)cc1)NC1CC(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571196357 952982186 /nfs/dbraw/zinc/98/21/86/952982186.db2.gz JIPWVJLTLQCOFL-UHFFFAOYSA-N -1 1 382.403 1.345 20 0 GDADMM O=C(Cc1ccc(F)cc1)NC1CC(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571196357 952982190 /nfs/dbraw/zinc/98/21/90/952982190.db2.gz JIPWVJLTLQCOFL-UHFFFAOYSA-N -1 1 382.403 1.345 20 0 GDADMM C[C@H]1CN(C(=O)c2ccccc2F)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571196889 952984579 /nfs/dbraw/zinc/98/45/79/952984579.db2.gz PAOQWORSSMUJOT-FZMZJTMJSA-N -1 1 382.403 1.759 20 0 GDADMM C[C@H]1CN(C(=O)c2ccccc2F)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571196889 952984583 /nfs/dbraw/zinc/98/45/83/952984583.db2.gz PAOQWORSSMUJOT-FZMZJTMJSA-N -1 1 382.403 1.759 20 0 GDADMM Cc1ccc(F)c(CC(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571196950 952985878 /nfs/dbraw/zinc/98/58/78/952985878.db2.gz QQPWTRDATHMXBD-CYBMUJFWSA-N -1 1 382.403 1.042 20 0 GDADMM Cc1ccc(F)c(CC(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571196950 952985881 /nfs/dbraw/zinc/98/58/81/952985881.db2.gz QQPWTRDATHMXBD-CYBMUJFWSA-N -1 1 382.403 1.042 20 0 GDADMM O=C([C@H](F)c1ccccc1)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571197217 952987528 /nfs/dbraw/zinc/98/75/28/952987528.db2.gz ULMREASZGQUCNT-MLGOLLRUSA-N -1 1 382.403 1.628 20 0 GDADMM O=C([C@H](F)c1ccccc1)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571197217 952987529 /nfs/dbraw/zinc/98/75/29/952987529.db2.gz ULMREASZGQUCNT-MLGOLLRUSA-N -1 1 382.403 1.628 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCCN(C(=O)c3cc(C)co3)CC2)n1 ZINC001571198982 952994668 /nfs/dbraw/zinc/99/46/68/952994668.db2.gz JMUJMNVYHOJZEX-UHFFFAOYSA-N -1 1 382.428 1.473 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCCN(C(=O)c3cc(C)co3)CC2)n1 ZINC001571198982 952994674 /nfs/dbraw/zinc/99/46/74/952994674.db2.gz JMUJMNVYHOJZEX-UHFFFAOYSA-N -1 1 382.428 1.473 20 0 GDADMM Cc1cc(C(=O)N(C)C2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)CC2)co1 ZINC001571199275 952997785 /nfs/dbraw/zinc/99/77/85/952997785.db2.gz OVXUKKMHFIZTJR-UHFFFAOYSA-N -1 1 382.428 1.608 20 0 GDADMM Cc1cc(C(=O)N(C)C2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)CC2)co1 ZINC001571199275 952997788 /nfs/dbraw/zinc/99/77/88/952997788.db2.gz OVXUKKMHFIZTJR-UHFFFAOYSA-N -1 1 382.428 1.608 20 0 GDADMM CCc1occc1C(=O)N1CCC[C@H]1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001571199706 953003954 /nfs/dbraw/zinc/00/39/54/953003954.db2.gz ZTFRSMAXFQSAIP-LBPRGKRZSA-N -1 1 382.428 1.837 20 0 GDADMM CCc1occc1C(=O)N1CCC[C@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001571199706 953003957 /nfs/dbraw/zinc/00/39/57/953003957.db2.gz ZTFRSMAXFQSAIP-LBPRGKRZSA-N -1 1 382.428 1.837 20 0 GDADMM O=C(Cc1ccccc1F)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571200313 953008559 /nfs/dbraw/zinc/00/85/59/953008559.db2.gz HOTZYSNFJDTTEP-CYBMUJFWSA-N -1 1 382.403 1.441 20 0 GDADMM O=C(Cc1ccccc1F)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571200313 953008565 /nfs/dbraw/zinc/00/85/65/953008565.db2.gz HOTZYSNFJDTTEP-CYBMUJFWSA-N -1 1 382.403 1.441 20 0 GDADMM Cc1cc(C)c(C(=O)N2CCC(N(C)c3nccnc3-c3nnn[n-]3)CC2)o1 ZINC001571200524 953009750 /nfs/dbraw/zinc/00/97/50/953009750.db2.gz CWNAJFTWZQSVEB-UHFFFAOYSA-N -1 1 382.428 1.608 20 0 GDADMM Cc1cc(C)c(C(=O)N2CCC(N(C)c3nccnc3-c3nn[n-]n3)CC2)o1 ZINC001571200524 953009751 /nfs/dbraw/zinc/00/97/51/953009751.db2.gz CWNAJFTWZQSVEB-UHFFFAOYSA-N -1 1 382.428 1.608 20 0 GDADMM Cc1cc(C(=O)N2CCCC[C@H]2[C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)co1 ZINC001571200585 953011055 /nfs/dbraw/zinc/01/10/55/953011055.db2.gz FEOSPAXRKAQKAM-OCCSQVGLSA-N -1 1 382.428 1.475 20 0 GDADMM Cc1cocc1C(=O)N1CCC[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571200842 953012903 /nfs/dbraw/zinc/01/29/03/953012903.db2.gz GRGWCFKAAMIZEY-CYBMUJFWSA-N -1 1 382.428 1.913 20 0 GDADMM Cc1cocc1C(=O)N1CCC[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571200842 953012907 /nfs/dbraw/zinc/01/29/07/953012907.db2.gz GRGWCFKAAMIZEY-CYBMUJFWSA-N -1 1 382.428 1.913 20 0 GDADMM O=C(c1ccccc1F)N1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571201145 953015039 /nfs/dbraw/zinc/01/50/39/953015039.db2.gz NVGOFOOGWHDTOK-GFCCVEGCSA-N -1 1 382.403 1.903 20 0 GDADMM O=C(c1ccccc1F)N1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571201145 953015045 /nfs/dbraw/zinc/01/50/45/953015045.db2.gz NVGOFOOGWHDTOK-GFCCVEGCSA-N -1 1 382.403 1.903 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@H]2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)o1 ZINC001571201392 953017878 /nfs/dbraw/zinc/01/78/78/953017878.db2.gz LUOHQWWQRDCERP-OLZOCXBDSA-N -1 1 382.428 1.877 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@H]2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)o1 ZINC001571201392 953017881 /nfs/dbraw/zinc/01/78/81/953017881.db2.gz LUOHQWWQRDCERP-OLZOCXBDSA-N -1 1 382.428 1.877 20 0 GDADMM Cc1ccoc1CC(=O)N[C@H]1CC[C@@H](C)N(c2nccnc2-c2nnn[n-]2)C1 ZINC001571201858 953020452 /nfs/dbraw/zinc/02/04/52/953020452.db2.gz ORFOXWYQQRJDDI-OLZOCXBDSA-N -1 1 382.428 1.274 20 0 GDADMM Cc1ccoc1CC(=O)N[C@H]1CC[C@@H](C)N(c2nccnc2-c2nn[n-]n2)C1 ZINC001571201858 953020456 /nfs/dbraw/zinc/02/04/56/953020456.db2.gz ORFOXWYQQRJDDI-OLZOCXBDSA-N -1 1 382.428 1.274 20 0 GDADMM Cc1coc(C)c1C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)[C@H]1C ZINC001571202389 953024364 /nfs/dbraw/zinc/02/43/64/953024364.db2.gz UHELEKZVBCVOHB-AAEUAGOBSA-N -1 1 382.428 1.654 20 0 GDADMM Cc1coc(C)c1C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)[C@H]1C ZINC001571202389 953024370 /nfs/dbraw/zinc/02/43/70/953024370.db2.gz UHELEKZVBCVOHB-AAEUAGOBSA-N -1 1 382.428 1.654 20 0 GDADMM CC(C)n1nccc1C(=O)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571204911 953033941 /nfs/dbraw/zinc/03/39/41/953033941.db2.gz FQIDNJSBFUIAPQ-GFCCVEGCSA-N -1 1 382.432 1.008 20 0 GDADMM CC(C)n1nccc1C(=O)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571204911 953033949 /nfs/dbraw/zinc/03/39/49/953033949.db2.gz FQIDNJSBFUIAPQ-GFCCVEGCSA-N -1 1 382.432 1.008 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)c3cn(C(C)C)cn3)C2)n1 ZINC001571206231 953047765 /nfs/dbraw/zinc/04/77/65/953047765.db2.gz FBPJWFWXDAOQKF-LBPRGKRZSA-N -1 1 382.432 1.069 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)c3cn(C(C)C)cn3)C2)n1 ZINC001571206231 953047769 /nfs/dbraw/zinc/04/77/69/953047769.db2.gz FBPJWFWXDAOQKF-LBPRGKRZSA-N -1 1 382.432 1.069 20 0 GDADMM CC(C)n1cnc(C(=O)N(C)C2CC(Nc3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571206211 953047798 /nfs/dbraw/zinc/04/77/98/953047798.db2.gz SEGQSUZCKBJQMV-UHFFFAOYSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1cnc(C(=O)N(C)C2CC(Nc3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571206211 953047803 /nfs/dbraw/zinc/04/78/03/953047803.db2.gz SEGQSUZCKBJQMV-UHFFFAOYSA-N -1 1 382.432 1.149 20 0 GDADMM CCn1cnc(C(=O)NC2CCC(Nc3cncc(-c4nnn[n-]4)n3)CC2)c1 ZINC001571206200 953048075 /nfs/dbraw/zinc/04/80/75/953048075.db2.gz DVUGEEVJPLLQGH-UHFFFAOYSA-N -1 1 382.432 1.026 20 0 GDADMM CCn1cnc(C(=O)NC2CCC(Nc3cncc(-c4nn[n-]n4)n3)CC2)c1 ZINC001571206200 953048078 /nfs/dbraw/zinc/04/80/78/953048078.db2.gz DVUGEEVJPLLQGH-UHFFFAOYSA-N -1 1 382.432 1.026 20 0 GDADMM O=C(Cc1ccco1)N[C@@H]1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571206441 953050711 /nfs/dbraw/zinc/05/07/11/953050711.db2.gz POEOUWBUKBPZBV-TZMCWYRMSA-N -1 1 382.428 1.579 20 0 GDADMM O=C(Cc1ccco1)N[C@@H]1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571206441 953050716 /nfs/dbraw/zinc/05/07/16/953050716.db2.gz POEOUWBUKBPZBV-TZMCWYRMSA-N -1 1 382.428 1.579 20 0 GDADMM CC(C)(C)c1n[nH]cc1C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571207395 953062867 /nfs/dbraw/zinc/06/28/67/953062867.db2.gz ZQFRGDGIUWYZMK-SNVBAGLBSA-N -1 1 382.432 1.004 20 0 GDADMM CC(C)(C)c1n[nH]cc1C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571207395 953062869 /nfs/dbraw/zinc/06/28/69/953062869.db2.gz ZQFRGDGIUWYZMK-SNVBAGLBSA-N -1 1 382.432 1.004 20 0 GDADMM Cc1n[nH]cc1C(=O)N1CCCC[C@H]1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001571207618 953065128 /nfs/dbraw/zinc/06/51/28/953065128.db2.gz YBKASKYWKOUSQI-LBPRGKRZSA-N -1 1 382.432 1.103 20 0 GDADMM Cc1n[nH]cc1C(=O)N1CCCC[C@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001571207618 953065131 /nfs/dbraw/zinc/06/51/31/953065131.db2.gz YBKASKYWKOUSQI-LBPRGKRZSA-N -1 1 382.432 1.103 20 0 GDADMM O=C(c1ccsc1)N1C[C@H]2CCC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001571210160 953070435 /nfs/dbraw/zinc/07/04/35/953070435.db2.gz MSMMCPPCDFLEKJ-BETUJISGSA-N -1 1 382.453 1.602 20 0 GDADMM O=C(c1ccsc1)N1C[C@H]2CCC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001571210160 953070439 /nfs/dbraw/zinc/07/04/39/953070439.db2.gz MSMMCPPCDFLEKJ-BETUJISGSA-N -1 1 382.453 1.602 20 0 GDADMM C[C@@H]1CN(C(=O)[C@H]2CCCC23CC3)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571211715 953080597 /nfs/dbraw/zinc/08/05/97/953080597.db2.gz DCOWOXNTZIWMIS-MGPQQGTHSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@@H]1CN(C(=O)[C@H]2CCCC23CC3)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571211715 953080601 /nfs/dbraw/zinc/08/06/01/953080601.db2.gz DCOWOXNTZIWMIS-MGPQQGTHSA-N -1 1 382.472 1.743 20 0 GDADMM CCc1nc(N[C@H]2CCCN(C(=O)[C@]34C[C@H]3CCC4)C2)cc(-c2nnn[n-]2)n1 ZINC001571212042 953083202 /nfs/dbraw/zinc/08/32/02/953083202.db2.gz HSOCOLYBEDELJR-QHRIQVFBSA-N -1 1 382.472 1.812 20 0 GDADMM CCc1nc(N[C@H]2CCCN(C(=O)[C@]34C[C@H]3CCC4)C2)cc(-c2nn[n-]n2)n1 ZINC001571212042 953083208 /nfs/dbraw/zinc/08/32/08/953083208.db2.gz HSOCOLYBEDELJR-QHRIQVFBSA-N -1 1 382.472 1.812 20 0 GDADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCCN(C(=O)[C@H]2CC23CCCC3)C1 ZINC001571212447 953088315 /nfs/dbraw/zinc/08/83/15/953088315.db2.gz LQPCOHBXMYKPAI-ZIAGYGMSSA-N -1 1 382.472 1.664 20 0 GDADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCCN(C(=O)[C@H]2CC23CCCC3)C1 ZINC001571212447 953088317 /nfs/dbraw/zinc/08/83/17/953088317.db2.gz LQPCOHBXMYKPAI-ZIAGYGMSSA-N -1 1 382.472 1.664 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H]1CCCN(C(=O)C2CC3(CC3)C2)C1 ZINC001571212997 953092247 /nfs/dbraw/zinc/09/22/47/953092247.db2.gz PIFDPBKTQHYDPX-OLZOCXBDSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H]1CCCN(C(=O)C2CC3(CC3)C2)C1 ZINC001571212997 953092250 /nfs/dbraw/zinc/09/22/50/953092250.db2.gz PIFDPBKTQHYDPX-OLZOCXBDSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(C)CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571213658 953096498 /nfs/dbraw/zinc/09/64/98/953096498.db2.gz SRYIZSMMOFGCOR-MQYQWHSLSA-N -1 1 382.472 1.709 20 0 GDADMM CC1(C)CC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571213607 953096946 /nfs/dbraw/zinc/09/69/46/953096946.db2.gz SDTBDWMWODHNJU-WTUNAVPPSA-N -1 1 382.472 1.709 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)C[C@@H]2C)n1 ZINC001571214104 953099369 /nfs/dbraw/zinc/09/93/69/953099369.db2.gz WYIVHTGRFZFCDY-MQFWEAQZSA-N -1 1 382.472 1.518 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)C[C@@H]2C)n1 ZINC001571214104 953099372 /nfs/dbraw/zinc/09/93/72/953099372.db2.gz WYIVHTGRFZFCDY-MQFWEAQZSA-N -1 1 382.472 1.518 20 0 GDADMM O=C(NC[C@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1)[C@@H]1C[C@H]1C1CCC1 ZINC001571216723 953103898 /nfs/dbraw/zinc/10/38/98/953103898.db2.gz ADBUOARLXKJTAY-QLFBSQMISA-N -1 1 382.472 1.568 20 0 GDADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCN(c2ccccc2F)CC1 ZINC001571217094 953105579 /nfs/dbraw/zinc/10/55/79/953105579.db2.gz GMROHQCYHRKKLV-UHFFFAOYSA-N -1 1 383.387 1.377 20 0 GDADMM O=S(=O)(Cc1c(F)cccc1Cl)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001571219071 953122473 /nfs/dbraw/zinc/12/24/73/953122473.db2.gz UMUJWDIPJYHIEO-UHFFFAOYSA-N -1 1 382.808 1.674 20 0 GDADMM O=S(=O)(Cc1c(F)cccc1Cl)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001571219071 953122474 /nfs/dbraw/zinc/12/24/74/953122474.db2.gz UMUJWDIPJYHIEO-UHFFFAOYSA-N -1 1 382.808 1.674 20 0 GDADMM O=C(N1CCC(CNc2nccnc2-c2nnn[n-]2)CC1)[C@]12C[C@H]1CCCC2 ZINC001571219140 953123299 /nfs/dbraw/zinc/12/32/99/953123299.db2.gz WKSUTMSDPQSXEE-AUUYWEPGSA-N -1 1 382.472 1.888 20 0 GDADMM O=C(N1CCC(CNc2nccnc2-c2nn[n-]n2)CC1)[C@]12C[C@H]1CCCC2 ZINC001571219140 953123302 /nfs/dbraw/zinc/12/33/02/953123302.db2.gz WKSUTMSDPQSXEE-AUUYWEPGSA-N -1 1 382.472 1.888 20 0 GDADMM CC(C)(C)c1ocnc1C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571222572 953136126 /nfs/dbraw/zinc/13/61/26/953136126.db2.gz JNFAKZBNTUZSOQ-SNVBAGLBSA-N -1 1 383.416 1.269 20 0 GDADMM CC(C)(C)c1ocnc1C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571222572 953136130 /nfs/dbraw/zinc/13/61/30/953136130.db2.gz JNFAKZBNTUZSOQ-SNVBAGLBSA-N -1 1 383.416 1.269 20 0 GDADMM CC(C)c1oncc1C(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571223491 953144396 /nfs/dbraw/zinc/14/43/96/953144396.db2.gz RKLQQAQDOIWXJI-NSHDSACASA-N -1 1 383.416 1.119 20 0 GDADMM Cc1nc(C(=O)N2CCC(CCNc3cnc(-c4nnn[n-]4)cn3)CC2)co1 ZINC001571224583 953149571 /nfs/dbraw/zinc/14/95/71/953149571.db2.gz AEAWINJYWNQCDD-UHFFFAOYSA-N -1 1 383.416 1.308 20 0 GDADMM Cc1nc(C(=O)N2CCC(CCNc3cnc(-c4nn[n-]n4)cn3)CC2)co1 ZINC001571224583 953149573 /nfs/dbraw/zinc/14/95/73/953149573.db2.gz AEAWINJYWNQCDD-UHFFFAOYSA-N -1 1 383.416 1.308 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)c3cc(C(C)C)no3)C2)n1 ZINC001571226452 953155883 /nfs/dbraw/zinc/15/58/83/953155883.db2.gz RALFQFMJMDXPPG-LLVKDONJSA-N -1 1 383.416 1.403 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)c3cc(C(C)C)no3)C2)n1 ZINC001571226452 953155885 /nfs/dbraw/zinc/15/58/85/953155885.db2.gz RALFQFMJMDXPPG-LLVKDONJSA-N -1 1 383.416 1.403 20 0 GDADMM Cc1ncoc1C(=O)N1C[C@H](C)[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571226926 953157567 /nfs/dbraw/zinc/15/75/67/953157567.db2.gz XBNRQVOSNZHHKZ-CABZTGNLSA-N -1 1 383.416 1.082 20 0 GDADMM Cc1ncoc1C(=O)N1C[C@H](C)[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571226926 953157571 /nfs/dbraw/zinc/15/75/71/953157571.db2.gz XBNRQVOSNZHHKZ-CABZTGNLSA-N -1 1 383.416 1.082 20 0 GDADMM Cc1nocc1C(=O)NC[C@@H]1CCCCCN1c1nccnc1-c1nnn[n-]1 ZINC001571227803 953160085 /nfs/dbraw/zinc/16/00/85/953160085.db2.gz CISRDYHAGRMSHW-LBPRGKRZSA-N -1 1 383.416 1.132 20 0 GDADMM Cc1nocc1C(=O)NC[C@@H]1CCCCCN1c1nccnc1-c1nn[n-]n1 ZINC001571227803 953160088 /nfs/dbraw/zinc/16/00/88/953160088.db2.gz CISRDYHAGRMSHW-LBPRGKRZSA-N -1 1 383.416 1.132 20 0 GDADMM C[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)s1)c1ccc2c(c1)CC(=O)N2 ZINC001571230570 953178294 /nfs/dbraw/zinc/17/82/94/953178294.db2.gz GLPURDGVMSJOKE-SECBINFHSA-N -1 1 383.437 1.983 20 0 GDADMM CC[C@H](F)C(=O)N1CCCO[C@@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571230830 953180235 /nfs/dbraw/zinc/18/02/35/953180235.db2.gz LKBZXGAJLFRLNK-QWRGUYRKSA-N -1 1 383.453 1.409 20 0 GDADMM Cc1nsc(N(C)[C@H]2CCN(C(=O)Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC001571234352 953201755 /nfs/dbraw/zinc/20/17/55/953201755.db2.gz UZOGRCMLIAALPI-AWEZNQCLSA-N -1 1 383.481 1.911 20 0 GDADMM O=C(c1csnn1)N1CC[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571234932 953206783 /nfs/dbraw/zinc/20/67/83/953206783.db2.gz NGMKUSTWEYKGHX-RXMQYKEDSA-N -1 1 383.850 1.155 20 0 GDADMM O=C(c1csnn1)N1CC[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571234932 953206785 /nfs/dbraw/zinc/20/67/85/953206785.db2.gz NGMKUSTWEYKGHX-RXMQYKEDSA-N -1 1 383.850 1.155 20 0 GDADMM O=C(N[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1)C1CCOCC1 ZINC001571235034 953207668 /nfs/dbraw/zinc/20/76/68/953207668.db2.gz QQYJMDITZKNUJD-VIFPVBQESA-N -1 1 383.865 1.098 20 0 GDADMM O=C(N[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1)C1CCOCC1 ZINC001571235034 953207672 /nfs/dbraw/zinc/20/76/72/953207672.db2.gz QQYJMDITZKNUJD-VIFPVBQESA-N -1 1 383.865 1.098 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1cncc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001571235044 953208813 /nfs/dbraw/zinc/20/88/13/953208813.db2.gz QVYSJESKQRXKMH-UWVGGRQHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1cncc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001571235044 953208815 /nfs/dbraw/zinc/20/88/15/953208815.db2.gz QVYSJESKQRXKMH-UWVGGRQHSA-N -1 1 384.366 1.282 20 0 GDADMM O=C(c1cnsn1)N1CC[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571235179 953209388 /nfs/dbraw/zinc/20/93/88/953209388.db2.gz WBZMOHYSXRMXOQ-YFKPBYRVSA-N -1 1 383.850 1.155 20 0 GDADMM O=C(c1cnsn1)N1CC[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571235179 953209392 /nfs/dbraw/zinc/20/93/92/953209392.db2.gz WBZMOHYSXRMXOQ-YFKPBYRVSA-N -1 1 383.850 1.155 20 0 GDADMM COCc1ccc(C(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C[C@H]2C)o1 ZINC001571236380 953217115 /nfs/dbraw/zinc/21/71/15/953217115.db2.gz YENXHLWCPOOBKZ-GHMZBOCLSA-N -1 1 384.400 1.111 20 0 GDADMM COCc1ccc(C(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C[C@H]2C)o1 ZINC001571236380 953217119 /nfs/dbraw/zinc/21/71/19/953217119.db2.gz YENXHLWCPOOBKZ-GHMZBOCLSA-N -1 1 384.400 1.111 20 0 GDADMM C[C@@H]1CN(C(=O)C2=COCCC2)CC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571242838 953260170 /nfs/dbraw/zinc/26/01/70/953260170.db2.gz PEGZSRNFACWASR-OLZOCXBDSA-N -1 1 384.444 1.248 20 0 GDADMM C[C@@H]1CN(C(=O)C2=COCCC2)CC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571242838 953260173 /nfs/dbraw/zinc/26/01/73/953260173.db2.gz PEGZSRNFACWASR-OLZOCXBDSA-N -1 1 384.444 1.248 20 0 GDADMM Cc1cc(C(=O)N2CCCN(c3ccc(-c4nnn[n-]4)nn3)CC2)sc1C ZINC001571244667 953266112 /nfs/dbraw/zinc/26/61/12/953266112.db2.gz DGLQBZKSBALGAH-UHFFFAOYSA-N -1 1 384.469 1.688 20 0 GDADMM Cc1cc(C(=O)N2CCCN(c3ccc(-c4nn[n-]n4)nn3)CC2)sc1C ZINC001571244667 953266115 /nfs/dbraw/zinc/26/61/15/953266115.db2.gz DGLQBZKSBALGAH-UHFFFAOYSA-N -1 1 384.469 1.688 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)s1 ZINC001571244874 953268165 /nfs/dbraw/zinc/26/81/65/953268165.db2.gz KWZRFFASKGJTSQ-GFCCVEGCSA-N -1 1 384.469 1.652 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)s1 ZINC001571244874 953268167 /nfs/dbraw/zinc/26/81/67/953268167.db2.gz KWZRFFASKGJTSQ-GFCCVEGCSA-N -1 1 384.469 1.652 20 0 GDADMM Cc1nsc(N2CC[C@H](CNC(=O)c3ccnc(C)c3)C2)c1-c1nn[n-]n1 ZINC001571244921 953268647 /nfs/dbraw/zinc/26/86/47/953268647.db2.gz MDJSIFIKPURCHI-GFCCVEGCSA-N -1 1 384.469 1.591 20 0 GDADMM C[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)Cc1ccsc1 ZINC001571245108 953270995 /nfs/dbraw/zinc/27/09/95/953270995.db2.gz DMZMTIWPBFTHLX-AAEUAGOBSA-N -1 1 384.469 1.752 20 0 GDADMM C[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)Cc1ccsc1 ZINC001571245108 953270997 /nfs/dbraw/zinc/27/09/97/953270997.db2.gz DMZMTIWPBFTHLX-AAEUAGOBSA-N -1 1 384.469 1.752 20 0 GDADMM Cc1cc(C)c(C(=O)NC[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)s1 ZINC001571245550 953274362 /nfs/dbraw/zinc/27/43/62/953274362.db2.gz VFUVDVGSHXZZGY-HAQNSBGRSA-N -1 1 384.469 1.956 20 0 GDADMM Cc1cc(C)c(C(=O)NC[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)s1 ZINC001571245550 953274364 /nfs/dbraw/zinc/27/43/64/953274364.db2.gz VFUVDVGSHXZZGY-HAQNSBGRSA-N -1 1 384.469 1.956 20 0 GDADMM Cc1ccc(CC(=O)N(C)[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)s1 ZINC001571245545 953274610 /nfs/dbraw/zinc/27/46/10/953274610.db2.gz UZQWZVPRPIVSGY-GFCCVEGCSA-N -1 1 384.469 1.306 20 0 GDADMM Cc1ccc(CC(=O)N(C)[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)s1 ZINC001571245545 953274612 /nfs/dbraw/zinc/27/46/12/953274612.db2.gz UZQWZVPRPIVSGY-GFCCVEGCSA-N -1 1 384.469 1.306 20 0 GDADMM Cc1ccsc1C(=O)N1C[C@H](C)[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571245587 953274994 /nfs/dbraw/zinc/27/49/94/953274994.db2.gz WBOZAJPJKPSTGB-NWDGAFQWSA-N -1 1 384.469 1.847 20 0 GDADMM Cc1ccsc1C(=O)N1C[C@H](C)[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571245587 953274997 /nfs/dbraw/zinc/27/49/97/953274997.db2.gz WBOZAJPJKPSTGB-NWDGAFQWSA-N -1 1 384.469 1.847 20 0 GDADMM CC(C)(C)C(=O)N1CC[C@]2(C1)C[N@H+](Cc1ccccc1-c1nn[nH]n1)CCO2 ZINC001571248222 953290852 /nfs/dbraw/zinc/29/08/52/953290852.db2.gz NTSHWQGTVRLMGY-HXUWFJFHSA-N -1 1 384.484 1.716 20 0 GDADMM CC(C)(C)C(=O)N1CC[C@]2(C1)C[N@@H+](Cc1ccccc1-c1nn[nH]n1)CCO2 ZINC001571248222 953290855 /nfs/dbraw/zinc/29/08/55/953290855.db2.gz NTSHWQGTVRLMGY-HXUWFJFHSA-N -1 1 384.484 1.716 20 0 GDADMM CC(C)[C@@]1(C)C[C@H]1C(=O)N(C)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571249263 953302718 /nfs/dbraw/zinc/30/27/18/953302718.db2.gz GYZIBBAEEJHAPC-IFXJQAMLSA-N -1 1 384.488 1.766 20 0 GDADMM CC1(C)CC[C@H](C(=O)NCC2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001571249618 953305283 /nfs/dbraw/zinc/30/52/83/953305283.db2.gz JTQCXAAZGVRRQF-AWEZNQCLSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C)CC[C@H](C(=O)NCC2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC001571249618 953305288 /nfs/dbraw/zinc/30/52/88/953305288.db2.gz JTQCXAAZGVRRQF-AWEZNQCLSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)C[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571249669 953306561 /nfs/dbraw/zinc/30/65/61/953306561.db2.gz KGYGQPSVTKJTHG-GBJTYRQASA-N -1 1 384.488 1.458 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](N(CC)C(=O)[C@H]3CC3(C)C)C2)n1 ZINC001571252506 953329358 /nfs/dbraw/zinc/32/93/58/953329358.db2.gz OACISCJIJJOTPJ-QWHCGFSZSA-N -1 1 384.488 1.692 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](N(CC)C(=O)[C@H]3CC3(C)C)C2)n1 ZINC001571252506 953329360 /nfs/dbraw/zinc/32/93/60/953329360.db2.gz OACISCJIJJOTPJ-QWHCGFSZSA-N -1 1 384.488 1.692 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](N(CC)C(=O)[C@@H]3CC3(C)C)C2)n1 ZINC001571252507 953329982 /nfs/dbraw/zinc/32/99/82/953329982.db2.gz OACISCJIJJOTPJ-STQMWFEESA-N -1 1 384.488 1.692 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](N(CC)C(=O)[C@@H]3CC3(C)C)C2)n1 ZINC001571252507 953329986 /nfs/dbraw/zinc/32/99/86/953329986.db2.gz OACISCJIJJOTPJ-STQMWFEESA-N -1 1 384.488 1.692 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@@H]2CCN(C(=O)C3CCCCC3)C2)n1 ZINC001571252594 953330744 /nfs/dbraw/zinc/33/07/44/953330744.db2.gz QTEJHJFMSSKHIL-AWEZNQCLSA-N -1 1 384.488 1.830 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@@H]2CCN(C(=O)C3CCCCC3)C2)n1 ZINC001571252594 953330747 /nfs/dbraw/zinc/33/07/47/953330747.db2.gz QTEJHJFMSSKHIL-AWEZNQCLSA-N -1 1 384.488 1.830 20 0 GDADMM O=C(Cc1ccc(Cl)cc1)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571254231 953336912 /nfs/dbraw/zinc/33/69/12/953336912.db2.gz AOZXXJJXNYJVDJ-CYBMUJFWSA-N -1 1 384.831 1.248 20 0 GDADMM O=C(Cc1ccc(Cl)cc1)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571254231 953336916 /nfs/dbraw/zinc/33/69/16/953336916.db2.gz AOZXXJJXNYJVDJ-CYBMUJFWSA-N -1 1 384.831 1.248 20 0 GDADMM O=C(Cc1ccccc1Cl)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571254333 953337966 /nfs/dbraw/zinc/33/79/66/953337966.db2.gz BTEGEQDPWXWXLC-GFCCVEGCSA-N -1 1 384.831 1.566 20 0 GDADMM O=C(Cc1ccccc1Cl)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571254333 953337970 /nfs/dbraw/zinc/33/79/70/953337970.db2.gz BTEGEQDPWXWXLC-GFCCVEGCSA-N -1 1 384.831 1.566 20 0 GDADMM C[C@H](Nc1nccnc1-c1nnn[n-]1)[C@H]1CCCCN1C(=O)c1cc(F)c[nH]1 ZINC001571256124 953363535 /nfs/dbraw/zinc/36/35/35/953363535.db2.gz YOMZOZYIXOFQGT-GXFFZTMASA-N -1 1 385.407 1.619 20 0 GDADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)[C@H]1CCCCN1C(=O)c1cc(F)c[nH]1 ZINC001571256124 953363540 /nfs/dbraw/zinc/36/35/40/953363540.db2.gz YOMZOZYIXOFQGT-GXFFZTMASA-N -1 1 385.407 1.619 20 0 GDADMM CCC(CC)(CNC(=O)NC[C@@H](O)CN1CCc2ccccc2C1)C(=O)[O-] ZINC000424432261 953485966 /nfs/dbraw/zinc/48/59/66/953485966.db2.gz QHRYHLYSAGBYLE-QGZVFWFLSA-N -1 1 377.485 1.596 20 0 GDADMM C[C@H]1CCN(CC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)C[C@H]1C(=O)[O-] ZINC000563810773 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532273539 /nfs/dbraw/zinc/27/35/39/532273539.db2.gz FFHPJYANEAEGLU-CABZTGNLSA-N -1 1 390.259 1.974 20 0 GDADMM Cc1c(S(=O)(=O)[N-]CC(F)(F)Br)cnn1-c1ccccn1 ZINC000288501033 532293386 /nfs/dbraw/zinc/29/33/86/532293386.db2.gz DXNJPVYOLAUPKF-UHFFFAOYSA-N -1 1 381.202 1.842 20 0 GDADMM O=C(Cc1cncs1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000275474668 532296925 /nfs/dbraw/zinc/29/69/25/532296925.db2.gz YGBYLPLNLUIDAK-UHFFFAOYSA-N -1 1 383.451 1.051 20 0 GDADMM C[C@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1F)c1ncn(C)n1 ZINC000275741887 532308448 /nfs/dbraw/zinc/30/84/48/532308448.db2.gz ZOINETIOKZCUJY-LURJTMIESA-N -1 1 381.202 1.895 20 0 GDADMM O=C(NCC[C@]1(O)CCOC1)c1ccc(I)c([O-])c1 ZINC000403132086 532305440 /nfs/dbraw/zinc/30/54/40/532305440.db2.gz RJCUXRYBINRQKW-ZDUSSCGKSA-N -1 1 377.178 1.268 20 0 GDADMM O=S(=O)(CCCS(=O)(=O)N1CCCCO1)[N-]c1cc2c(cn1)CCC2 ZINC000349457153 532291033 /nfs/dbraw/zinc/29/10/33/532291033.db2.gz DMKVDLFZZZXZIX-UHFFFAOYSA-N -1 1 389.499 1.059 20 0 GDADMM O=C([N-]C[C@@H]1CCCN(S(=O)(=O)CCc2ccccc2)C1)C(F)(F)F ZINC000289488871 532325914 /nfs/dbraw/zinc/32/59/14/532325914.db2.gz IVGBUQCZMJILDW-AWEZNQCLSA-N -1 1 378.416 1.949 20 0 GDADMM O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1nc(Br)ccc1[O-] ZINC000275783090 532309846 /nfs/dbraw/zinc/30/98/46/532309846.db2.gz FQJVQLULCQUCQA-RKDXNWHRSA-N -1 1 382.214 1.663 20 0 GDADMM CCO[C@@H]1C[C@@]([N-]S(=O)(=O)Cc2ccc(Cl)nc2)(C(=O)OC)C1(C)C ZINC000275917911 532314600 /nfs/dbraw/zinc/31/46/00/532314600.db2.gz FYJPHHWEIYXHMA-MLGOLLRUSA-N -1 1 390.889 1.901 20 0 GDADMM COC(=O)[C@H]([N-]S(=O)(=O)[C@H]1CCO[C@@H]1C)c1ccc(OC)c(Cl)c1 ZINC000276162252 532321342 /nfs/dbraw/zinc/32/13/42/532321342.db2.gz GXRUTIHTEXUPIC-BIGNPOOSSA-N -1 1 377.846 1.660 20 0 GDADMM O=C(CN1CCC[C@H](c2nc(=O)[n-][nH]2)C1)Nc1ccc(Br)cc1F ZINC000289546356 532327534 /nfs/dbraw/zinc/32/75/34/532327534.db2.gz WYINBHDNQKJYCQ-VIFPVBQESA-N -1 1 398.236 1.818 20 0 GDADMM CCN(C(=O)[C@H](C)Sc1nc(C(F)F)cc(=O)[n-]1)[C@@H]1CCS(=O)(=O)C1 ZINC000289615009 532329556 /nfs/dbraw/zinc/32/95/56/532329556.db2.gz UPYUCYPRQHKOGD-DTWKUNHWSA-N -1 1 395.453 1.636 20 0 GDADMM CC(C)[C@@H](C)C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000735703792 598847262 /nfs/dbraw/zinc/84/72/62/598847262.db2.gz WBUBLFOTUHJJKB-GFCCVEGCSA-N -1 1 383.412 1.826 20 0 GDADMM CC(C)[C@@H](C)C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000735703792 598847263 /nfs/dbraw/zinc/84/72/63/598847263.db2.gz WBUBLFOTUHJJKB-GFCCVEGCSA-N -1 1 383.412 1.826 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC[C@](C)(O)c2ccccc2)cc1-c1nn[n-]n1 ZINC000737187290 598922548 /nfs/dbraw/zinc/92/25/48/598922548.db2.gz POHCNXAXOQDHIC-KRWDZBQOSA-N -1 1 386.437 1.327 20 0 GDADMM O[C@@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)COc1ccc(F)cc1 ZINC000738385150 598937267 /nfs/dbraw/zinc/93/72/67/598937267.db2.gz WGKHEAPSVIDIDR-LBPRGKRZSA-N -1 1 381.371 1.801 20 0 GDADMM O[C@@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)COc1ccc(F)cc1 ZINC000738385150 598937268 /nfs/dbraw/zinc/93/72/68/598937268.db2.gz WGKHEAPSVIDIDR-LBPRGKRZSA-N -1 1 381.371 1.801 20 0 GDADMM COC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)cc1 ZINC000736930544 598946676 /nfs/dbraw/zinc/94/66/76/598946676.db2.gz IGIRREQXOFDPCK-UHFFFAOYSA-N -1 1 387.421 1.691 20 0 GDADMM CN(c1c2ccccc2nnc1-c1nnn[n-]1)[C@H]1CCCN(c2cccnn2)C1 ZINC000736843107 598967221 /nfs/dbraw/zinc/96/72/21/598967221.db2.gz ZJLNKLBGAQRUGU-ZDUSSCGKSA-N -1 1 388.439 1.705 20 0 GDADMM CN(c1c2ccccc2nnc1-c1nn[n-]n1)[C@H]1CCCN(c2cccnn2)C1 ZINC000736843107 598967222 /nfs/dbraw/zinc/96/72/22/598967222.db2.gz ZJLNKLBGAQRUGU-ZDUSSCGKSA-N -1 1 388.439 1.705 20 0 GDADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000738433739 598968180 /nfs/dbraw/zinc/96/81/80/598968180.db2.gz UXDKOQIJTIPKPP-LBPRGKRZSA-N -1 1 388.439 1.732 20 0 GDADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000738433739 598968182 /nfs/dbraw/zinc/96/81/82/598968182.db2.gz UXDKOQIJTIPKPP-LBPRGKRZSA-N -1 1 388.439 1.732 20 0 GDADMM c1cn(CCN2CCOCC2)nc1Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000738436434 598968405 /nfs/dbraw/zinc/96/84/05/598968405.db2.gz IHTIXZVKFRTKFP-UHFFFAOYSA-N -1 1 392.427 1.082 20 0 GDADMM c1cn(CCN2CCOCC2)nc1Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000738436434 598968406 /nfs/dbraw/zinc/96/84/06/598968406.db2.gz IHTIXZVKFRTKFP-UHFFFAOYSA-N -1 1 392.427 1.082 20 0 GDADMM COC(=O)COc1cccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000736931469 598969141 /nfs/dbraw/zinc/96/91/41/598969141.db2.gz QDDYXOZUSQTPIX-UHFFFAOYSA-N -1 1 391.391 1.974 20 0 GDADMM COC(=O)COc1cccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000736931469 598969142 /nfs/dbraw/zinc/96/91/42/598969142.db2.gz QDDYXOZUSQTPIX-UHFFFAOYSA-N -1 1 391.391 1.974 20 0 GDADMM Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)c(C)c1 ZINC000737246152 598988572 /nfs/dbraw/zinc/98/85/72/598988572.db2.gz KITMEAFAHOKWNW-UHFFFAOYSA-N -1 1 379.424 1.898 20 0 GDADMM Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)c(C)c1 ZINC000737246152 598988576 /nfs/dbraw/zinc/98/85/76/598988576.db2.gz KITMEAFAHOKWNW-UHFFFAOYSA-N -1 1 379.424 1.898 20 0 GDADMM CC(C)NC(=O)Nc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735888916 598992155 /nfs/dbraw/zinc/99/21/55/598992155.db2.gz RUCPYGANKJOKQN-UHFFFAOYSA-N -1 1 380.412 1.722 20 0 GDADMM CC(C)NC(=O)Nc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735888916 598992157 /nfs/dbraw/zinc/99/21/57/598992157.db2.gz RUCPYGANKJOKQN-UHFFFAOYSA-N -1 1 380.412 1.722 20 0 GDADMM CN(C(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1)[C@@H]1CCCc2ccccc21 ZINC000736737440 598993956 /nfs/dbraw/zinc/99/39/56/598993956.db2.gz SHURFPGBFGALQY-QGZVFWFLSA-N -1 1 392.419 1.955 20 0 GDADMM CN(C(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1)[C@@H]1CCCc2ccccc21 ZINC000736737440 598993958 /nfs/dbraw/zinc/99/39/58/598993958.db2.gz SHURFPGBFGALQY-QGZVFWFLSA-N -1 1 392.419 1.955 20 0 GDADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc(N2CCCC2=O)c1 ZINC000736117284 598998227 /nfs/dbraw/zinc/99/82/27/598998227.db2.gz FNHQYLFAWQBEIS-LBPRGKRZSA-N -1 1 377.408 1.880 20 0 GDADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc(N2CCCC2=O)c1 ZINC000736117284 598998228 /nfs/dbraw/zinc/99/82/28/598998228.db2.gz FNHQYLFAWQBEIS-LBPRGKRZSA-N -1 1 377.408 1.880 20 0 GDADMM COc1ccc(Br)cc1CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737065336 598999319 /nfs/dbraw/zinc/99/93/19/598999319.db2.gz JPUAWHUZSIEPPH-UHFFFAOYSA-N -1 1 389.213 1.963 20 0 GDADMM COc1ccc(Br)cc1CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737065336 598999321 /nfs/dbraw/zinc/99/93/21/598999321.db2.gz JPUAWHUZSIEPPH-UHFFFAOYSA-N -1 1 389.213 1.963 20 0 GDADMM CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736780331 599003384 /nfs/dbraw/zinc/00/33/84/599003384.db2.gz USDWLDWIQDEVTB-UHFFFAOYSA-N -1 1 399.436 1.297 20 0 GDADMM CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736780331 599003386 /nfs/dbraw/zinc/00/33/86/599003386.db2.gz USDWLDWIQDEVTB-UHFFFAOYSA-N -1 1 399.436 1.297 20 0 GDADMM O=C(NCCc1nc(-c2cccc(Cl)c2)no1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738087245 599007789 /nfs/dbraw/zinc/00/77/89/599007789.db2.gz BWXBXQDTPWGOKV-UHFFFAOYSA-N -1 1 396.798 1.938 20 0 GDADMM O=C(NCCc1nc(-c2cccc(Cl)c2)no1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738087245 599007791 /nfs/dbraw/zinc/00/77/91/599007791.db2.gz BWXBXQDTPWGOKV-UHFFFAOYSA-N -1 1 396.798 1.938 20 0 GDADMM CCCCC[C@H](O)CC(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000736440892 599015100 /nfs/dbraw/zinc/01/51/00/599015100.db2.gz IBDVUAWYBNOLLZ-LBPRGKRZSA-N -1 1 379.417 1.890 20 0 GDADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1cccc(C[S@@](C)=O)c1 ZINC000737301415 599018553 /nfs/dbraw/zinc/01/85/53/599018553.db2.gz MJQFZMQYOBPUQE-RUZDIDTESA-N -1 1 391.478 1.854 20 0 GDADMM CC1CCN(C(=O)C2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)CC1 ZINC000736277234 599023158 /nfs/dbraw/zinc/02/31/58/599023158.db2.gz LNUNSRWRRLMCQV-UHFFFAOYSA-N -1 1 383.456 1.372 20 0 GDADMM CC1CCN(C(=O)C2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)CC1 ZINC000736277234 599023160 /nfs/dbraw/zinc/02/31/60/599023160.db2.gz LNUNSRWRRLMCQV-UHFFFAOYSA-N -1 1 383.456 1.372 20 0 GDADMM COC(=O)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)Cc1cccc(C)c1 ZINC000736892890 599029460 /nfs/dbraw/zinc/02/94/60/599029460.db2.gz POWGDAOOEUSALH-HNNXBMFYSA-N -1 1 380.408 1.332 20 0 GDADMM COC(=O)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)Cc1cccc(C)c1 ZINC000736892890 599029463 /nfs/dbraw/zinc/02/94/63/599029463.db2.gz POWGDAOOEUSALH-HNNXBMFYSA-N -1 1 380.408 1.332 20 0 GDADMM CCN1C(=S)N=NC1[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736714085 599029523 /nfs/dbraw/zinc/02/95/23/599029523.db2.gz NOESRSWSWATCRK-NSHDSACASA-N -1 1 385.457 1.182 20 0 GDADMM CCN1C(=S)N=NC1[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736714085 599029525 /nfs/dbraw/zinc/02/95/25/599029525.db2.gz NOESRSWSWATCRK-NSHDSACASA-N -1 1 385.457 1.182 20 0 GDADMM Cc1nccn1-c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)cn1 ZINC000737225811 599029657 /nfs/dbraw/zinc/02/96/57/599029657.db2.gz SDAMHJMPMGKYAI-UHFFFAOYSA-N -1 1 396.436 1.865 20 0 GDADMM CCN(C(=O)c1ccc(-c2nnn[n-]2)nc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000736506483 599030777 /nfs/dbraw/zinc/03/07/77/599030777.db2.gz ZMLSMDYBIAEECU-MRXNPFEDSA-N -1 1 377.408 1.529 20 0 GDADMM CCN(C(=O)c1ccc(-c2nn[n-]n2)nc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000736506483 599030779 /nfs/dbraw/zinc/03/07/79/599030779.db2.gz ZMLSMDYBIAEECU-MRXNPFEDSA-N -1 1 377.408 1.529 20 0 GDADMM CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735690824 599032578 /nfs/dbraw/zinc/03/25/78/599032578.db2.gz BSHMKTHPJXDSIR-SFHVURJKSA-N -1 1 389.460 1.931 20 0 GDADMM CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735690824 599032580 /nfs/dbraw/zinc/03/25/80/599032580.db2.gz BSHMKTHPJXDSIR-SFHVURJKSA-N -1 1 389.460 1.931 20 0 GDADMM CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000821170497 599062165 /nfs/dbraw/zinc/06/21/65/599062165.db2.gz RLEZTFBDFVCYHG-NSHDSACASA-N -1 1 383.378 1.889 20 0 GDADMM CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000821170497 599062168 /nfs/dbraw/zinc/06/21/68/599062168.db2.gz RLEZTFBDFVCYHG-NSHDSACASA-N -1 1 383.378 1.889 20 0 GDADMM Cc1ccc([C@@H]2CCC[C@H]2N(C)c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1 ZINC000822233862 599070179 /nfs/dbraw/zinc/07/01/79/599070179.db2.gz WONQHMXLICZCLL-LSDHHAIUSA-N -1 1 395.467 1.345 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000820774545 599085057 /nfs/dbraw/zinc/08/50/57/599085057.db2.gz FPWGXDITANOJOU-LBPRGKRZSA-N -1 1 398.858 1.590 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000820774545 599085060 /nfs/dbraw/zinc/08/50/60/599085060.db2.gz FPWGXDITANOJOU-LBPRGKRZSA-N -1 1 398.858 1.590 20 0 GDADMM COc1ccc(NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)c(OC)c1 ZINC000737102072 599137182 /nfs/dbraw/zinc/13/71/82/599137182.db2.gz LTGIBCZEURSHRF-UHFFFAOYSA-N -1 1 384.352 1.074 20 0 GDADMM COc1ccc(NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)c(OC)c1 ZINC000737102072 599137185 /nfs/dbraw/zinc/13/71/85/599137185.db2.gz LTGIBCZEURSHRF-UHFFFAOYSA-N -1 1 384.352 1.074 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)Nc1ccc(F)c(Cl)c1 ZINC000737907942 599139522 /nfs/dbraw/zinc/13/95/22/599139522.db2.gz GBEYRPWDAOYIHI-UHFFFAOYSA-N -1 1 376.735 1.850 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)Nc1ccc(F)c(Cl)c1 ZINC000737907942 599139524 /nfs/dbraw/zinc/13/95/24/599139524.db2.gz GBEYRPWDAOYIHI-UHFFFAOYSA-N -1 1 376.735 1.850 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc(N2CCCC2=O)c1 ZINC000737909751 599139771 /nfs/dbraw/zinc/13/97/71/599139771.db2.gz YQZXRYHSSDEKSB-UHFFFAOYSA-N -1 1 392.375 1.428 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc(N2CCCC2=O)c1 ZINC000737909751 599139773 /nfs/dbraw/zinc/13/97/73/599139773.db2.gz YQZXRYHSSDEKSB-UHFFFAOYSA-N -1 1 392.375 1.428 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000737548189 599164589 /nfs/dbraw/zinc/16/45/89/599164589.db2.gz ODQUZHGGAZTPIO-ZDUSSCGKSA-N -1 1 392.423 1.922 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000737548189 599164592 /nfs/dbraw/zinc/16/45/92/599164592.db2.gz ODQUZHGGAZTPIO-ZDUSSCGKSA-N -1 1 392.423 1.922 20 0 GDADMM CS(=O)(=O)Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000486758687 599165491 /nfs/dbraw/zinc/16/54/91/599165491.db2.gz LLTNBTMZHCWHQY-UHFFFAOYSA-N -1 1 393.450 1.212 20 0 GDADMM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NC3(C(=O)[O-])CCCC3)cc2)[nH]1 ZINC000739767923 597038157 /nfs/dbraw/zinc/03/81/57/597038157.db2.gz CDPVMWMNDROVNS-UHFFFAOYSA-N -1 1 387.392 1.008 20 0 GDADMM CN1CC[C@H](NC(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000820620389 597421229 /nfs/dbraw/zinc/42/12/29/597421229.db2.gz LVOSERQCIJKFBA-HKUYNNGSSA-N -1 1 381.432 1.814 20 0 GDADMM CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000820543998 597511187 /nfs/dbraw/zinc/51/11/87/597511187.db2.gz WNOKNTKXNHSDRZ-KRWDZBQOSA-N -1 1 384.436 1.665 20 0 GDADMM Cn1ccnc1[C@H](O)[C@H]1CCCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000822699025 607305587 /nfs/dbraw/zinc/30/55/87/607305587.db2.gz LTLVUSUDUKQYSU-WCBMZHEXSA-N -1 1 380.865 1.660 20 0 GDADMM Cn1ccnc1[C@H](O)[C@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000822699025 607305588 /nfs/dbraw/zinc/30/55/88/607305588.db2.gz LTLVUSUDUKQYSU-WCBMZHEXSA-N -1 1 380.865 1.660 20 0 GDADMM C[C@@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)N1CC[C@@H](C(=O)[O-])C1 ZINC000262676902 597534345 /nfs/dbraw/zinc/53/43/45/597534345.db2.gz UMTGHTUOUGLRLS-VHSXEESVSA-N -1 1 385.342 1.786 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)Nc2ccc(-c3nc[nH]n3)cc2)cc1-c1nn[n-]n1 ZINC000737185708 599276014 /nfs/dbraw/zinc/27/60/14/599276014.db2.gz BRXACNDVMUXEBF-UHFFFAOYSA-N -1 1 395.408 1.727 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCc2ccc3c(c2)COC3)cc1-c1nn[n-]n1 ZINC000821978906 607324896 /nfs/dbraw/zinc/32/48/96/607324896.db2.gz NRNIDGBTYLSZKF-UHFFFAOYSA-N -1 1 384.421 1.649 20 0 GDADMM CC[C@H](C)[C@H](NCC(=O)NC1CCN(C(=O)C2CCCCC2)CC1)C(=O)[O-] ZINC000820459539 598187581 /nfs/dbraw/zinc/18/75/81/598187581.db2.gz AIGBNDTWXYEJOW-KSSFIOAISA-N -1 1 381.517 1.763 20 0 GDADMM CCOc1ccccc1[C@H](CC)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736653047 598246420 /nfs/dbraw/zinc/24/64/20/598246420.db2.gz DZFDVPKOUZTNAI-LBPRGKRZSA-N -1 1 385.428 1.226 20 0 GDADMM C[C@@H](COc1cccc(F)c1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736037136 598267289 /nfs/dbraw/zinc/26/72/89/598267289.db2.gz DYGOVVWJVWVXKG-JTQLQIEISA-N -1 1 378.389 1.147 20 0 GDADMM C[C@@H](COc1cccc(F)c1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736037136 598267291 /nfs/dbraw/zinc/26/72/91/598267291.db2.gz DYGOVVWJVWVXKG-JTQLQIEISA-N -1 1 378.389 1.147 20 0 GDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C1CCC(NC(=O)CC2CCCC2)CC1 ZINC000737778193 598287071 /nfs/dbraw/zinc/28/70/71/598287071.db2.gz XTGHPZSLDYHCAP-UHFFFAOYSA-N -1 1 386.460 1.541 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000737201420 598331892 /nfs/dbraw/zinc/33/18/92/598331892.db2.gz RZHLENUVPCLLFD-CYBMUJFWSA-N -1 1 396.455 1.646 20 0 GDADMM Cc1ccc2oc(N3CCN(c4nccnc4-c4nnn[n-]4)C[C@H]3C)nc2c1 ZINC000737380856 598334819 /nfs/dbraw/zinc/33/48/19/598334819.db2.gz SLGVZPXKGDHNTC-GFCCVEGCSA-N -1 1 377.412 1.821 20 0 GDADMM Cc1ccc2oc(N3CCN(c4nccnc4-c4nn[n-]n4)C[C@H]3C)nc2c1 ZINC000737380856 598334821 /nfs/dbraw/zinc/33/48/21/598334821.db2.gz SLGVZPXKGDHNTC-GFCCVEGCSA-N -1 1 377.412 1.821 20 0 GDADMM COc1cc2c(nn1)CCN([C@@H](C)C(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)C2 ZINC000737055172 598364592 /nfs/dbraw/zinc/36/45/92/598364592.db2.gz JXBIYROBXUZNHI-JTQLQIEISA-N -1 1 398.427 1.260 20 0 GDADMM Clc1nsc(N2CCC[C@H](c3nnc4n3CCC4)C2)c1-c1nnn[n-]1 ZINC000737584440 598388508 /nfs/dbraw/zinc/38/85/08/598388508.db2.gz QCBFCAUDXHYQNI-QMMMGPOBSA-N -1 1 377.865 1.898 20 0 GDADMM Clc1nsc(N2CCC[C@H](c3nnc4n3CCC4)C2)c1-c1nn[n-]n1 ZINC000737584440 598388510 /nfs/dbraw/zinc/38/85/10/598388510.db2.gz QCBFCAUDXHYQNI-QMMMGPOBSA-N -1 1 377.865 1.898 20 0 GDADMM Clc1cccc([C@@H](CNc2nccnc2-c2nnn[n-]2)N2CCOCC2)c1 ZINC000737573943 598393488 /nfs/dbraw/zinc/39/34/88/598393488.db2.gz HSPPJPDSXLASSH-CQSZACIVSA-N -1 1 386.847 1.796 20 0 GDADMM Clc1cccc([C@@H](CNc2nccnc2-c2nn[n-]n2)N2CCOCC2)c1 ZINC000737573943 598393489 /nfs/dbraw/zinc/39/34/89/598393489.db2.gz HSPPJPDSXLASSH-CQSZACIVSA-N -1 1 386.847 1.796 20 0 GDADMM Cn1cnnc1CNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000737618337 598400632 /nfs/dbraw/zinc/40/06/32/598400632.db2.gz GUNRMMZITCTJFL-UHFFFAOYSA-N -1 1 394.370 1.857 20 0 GDADMM Cn1cnnc1CNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000737618337 598400633 /nfs/dbraw/zinc/40/06/33/598400633.db2.gz GUNRMMZITCTJFL-UHFFFAOYSA-N -1 1 394.370 1.857 20 0 GDADMM O=C(NC1=NCC(=O)N1)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000738306468 598409467 /nfs/dbraw/zinc/40/94/67/598409467.db2.gz IZKITBCRLMQNQL-UHFFFAOYSA-N -1 1 381.327 1.014 20 0 GDADMM O=C(NC1=NCC(=O)N1)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000738306468 598409469 /nfs/dbraw/zinc/40/94/69/598409469.db2.gz IZKITBCRLMQNQL-UHFFFAOYSA-N -1 1 381.327 1.014 20 0 GDADMM COCc1cc(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)ccc1F ZINC000737017217 598471969 /nfs/dbraw/zinc/47/19/69/598471969.db2.gz UHOZKHBVWJUGNH-UHFFFAOYSA-N -1 1 395.391 1.770 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC(Oc2ccncc2)C1 ZINC000737199081 598505407 /nfs/dbraw/zinc/50/54/07/598505407.db2.gz FPZWTUGOEQZCOU-UHFFFAOYSA-N -1 1 395.423 1.202 20 0 GDADMM CCOC(=O)c1c(C)csc1NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC000736602177 598568979 /nfs/dbraw/zinc/56/89/79/598568979.db2.gz FCWRGXCXHLEMAH-QMMMGPOBSA-N -1 1 376.402 1.205 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCCOCC(F)(F)F ZINC000737201887 598607047 /nfs/dbraw/zinc/60/70/47/598607047.db2.gz XJOIRYRSFDFLBT-UHFFFAOYSA-N -1 1 389.334 1.639 20 0 GDADMM CCCc1cc(NC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)n[nH]1 ZINC000736496306 598624076 /nfs/dbraw/zinc/62/40/76/598624076.db2.gz DGMZYYJZFBXYIU-UHFFFAOYSA-N -1 1 394.443 1.773 20 0 GDADMM CCCc1cc(NC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)n[nH]1 ZINC000736496306 598624077 /nfs/dbraw/zinc/62/40/77/598624077.db2.gz DGMZYYJZFBXYIU-UHFFFAOYSA-N -1 1 394.443 1.773 20 0 GDADMM CCc1nn(Cc2nccn2CC(F)(F)F)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736707820 598642706 /nfs/dbraw/zinc/64/27/06/598642706.db2.gz UMERJCHLKOQGDX-UHFFFAOYSA-N -1 1 382.350 1.355 20 0 GDADMM CCc1nn(CC(=O)NCCC2CCCCC2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706458 598644077 /nfs/dbraw/zinc/64/40/77/598644077.db2.gz WSYLLUAKUVXAGH-UHFFFAOYSA-N -1 1 387.488 1.635 20 0 GDADMM COC(=O)CN(CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)Cc1ccccc1 ZINC000821662397 607364436 /nfs/dbraw/zinc/36/44/36/607364436.db2.gz AHKAJAPRTCBNCX-UHFFFAOYSA-N -1 1 398.423 1.690 20 0 GDADMM O=C(CSc1ccc(-c2nn[nH]n2)cc1)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000737944198 598701034 /nfs/dbraw/zinc/70/10/34/598701034.db2.gz XDFQXLKETZTFNA-OAHLLOKOSA-N -1 1 393.436 1.378 20 0 GDADMM CCCCn1nnnc1Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21 ZINC000736470562 598720599 /nfs/dbraw/zinc/72/05/99/598720599.db2.gz RTJDESQRLRTHSJ-UHFFFAOYSA-N -1 1 385.819 1.670 20 0 GDADMM CCC(CC)[C@H](O)CNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000736337610 598721327 /nfs/dbraw/zinc/72/13/27/598721327.db2.gz LPGDSBMLIKBMIP-CQSZACIVSA-N -1 1 376.461 1.430 20 0 GDADMM CO[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)c1ccccc1 ZINC000736959368 598749045 /nfs/dbraw/zinc/74/90/45/598749045.db2.gz BMRDFPRCBODYRH-CYBMUJFWSA-N -1 1 386.437 1.807 20 0 GDADMM Cc1nn(C[C@H](O)c2ccc(Br)cc2)c(=O)c(-c2nn[n-]n2)c1C ZINC000737513631 598769266 /nfs/dbraw/zinc/76/92/66/598769266.db2.gz QRHMIVCQVYNMFP-LBPRGKRZSA-N -1 1 391.229 1.536 20 0 GDADMM O=S(=O)(c1ccc(CNc2cccc(-c3nnn[n-]3)n2)cc1)N1CCCC1 ZINC000738353848 599412903 /nfs/dbraw/zinc/41/29/03/599412903.db2.gz HQWVKDRZGVUXPX-UHFFFAOYSA-N -1 1 385.453 1.658 20 0 GDADMM O=S(=O)(c1ccc(CNc2cccc(-c3nn[n-]n3)n2)cc1)N1CCCC1 ZINC000738353848 599412906 /nfs/dbraw/zinc/41/29/06/599412906.db2.gz HQWVKDRZGVUXPX-UHFFFAOYSA-N -1 1 385.453 1.658 20 0 GDADMM CC1CCC(NC(=O)CN2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)CC1 ZINC000736242108 599426935 /nfs/dbraw/zinc/42/69/35/599426935.db2.gz PSCHIZAQGWFSPN-UHFFFAOYSA-N -1 1 384.488 1.079 20 0 GDADMM O=C(N[C@@H]1CC=CCC1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000738018957 599507628 /nfs/dbraw/zinc/50/76/28/599507628.db2.gz GSCFGBYEUBUJJE-CYBMUJFWSA-N -1 1 384.444 1.672 20 0 GDADMM CCOC(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736600324 599561791 /nfs/dbraw/zinc/56/17/91/599561791.db2.gz UZBGOPDMZWUDRQ-UHFFFAOYSA-N -1 1 387.421 1.773 20 0 GDADMM CS(=O)(=O)c1cccc(OCCOC(=O)c2sccc2-c2nn[n-]n2)c1 ZINC000737172354 599605424 /nfs/dbraw/zinc/60/54/24/599605424.db2.gz JKQQSKMIUVTPRL-UHFFFAOYSA-N -1 1 394.434 1.568 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OC1([C@@H]2CCOC2)CC1 ZINC000822458077 599625005 /nfs/dbraw/zinc/62/50/05/599625005.db2.gz CKMJUAAEAHAFFF-CYBMUJFWSA-N -1 1 397.439 1.571 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OC1([C@@H]2CCOC2)CC1 ZINC000822458077 599625006 /nfs/dbraw/zinc/62/50/06/599625006.db2.gz CKMJUAAEAHAFFF-CYBMUJFWSA-N -1 1 397.439 1.571 20 0 GDADMM CS(=O)(=O)Cc1nc(COC(=O)c2sccc2-c2nn[n-]n2)cs1 ZINC000821933123 599659040 /nfs/dbraw/zinc/65/90/40/599659040.db2.gz VERGINNTNDBDHI-UHFFFAOYSA-N -1 1 385.452 1.286 20 0 GDADMM CNC(=O)CC1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000821632895 599694916 /nfs/dbraw/zinc/69/49/16/599694916.db2.gz NPHAWROSQTZPGW-UHFFFAOYSA-N -1 1 398.876 1.057 20 0 GDADMM CNC(=O)CC1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000821632895 599694917 /nfs/dbraw/zinc/69/49/17/599694917.db2.gz NPHAWROSQTZPGW-UHFFFAOYSA-N -1 1 398.876 1.057 20 0 GDADMM COC(=O)C[C@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000821658604 607390449 /nfs/dbraw/zinc/39/04/49/607390449.db2.gz CBOCPRBBWDZZBJ-SECBINFHSA-N -1 1 385.833 1.236 20 0 GDADMM COC(=O)C[C@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000821658604 607390450 /nfs/dbraw/zinc/39/04/50/607390450.db2.gz CBOCPRBBWDZZBJ-SECBINFHSA-N -1 1 385.833 1.236 20 0 GDADMM COc1cc(C(=O)[O-])ccc1OC[C@H](O)CN1CCC[C@H](NC(=O)C(C)C)C1 ZINC000737867711 599752606 /nfs/dbraw/zinc/75/26/06/599752606.db2.gz PYEOHXCPIAYRSI-JKSUJKDBSA-N -1 1 394.468 1.370 20 0 GDADMM O=C([O-])CCc1ccc(NC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)cc1 ZINC000739756372 599771353 /nfs/dbraw/zinc/77/13/53/599771353.db2.gz XRRRBUMTZNYQLJ-UHFFFAOYSA-N -1 1 393.399 1.914 20 0 GDADMM CN(Cc1cc(=O)n(C)c(=O)n1C)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000737454260 599771772 /nfs/dbraw/zinc/77/17/72/599771772.db2.gz HLOGRTPCGUNEPD-AWEZNQCLSA-N -1 1 386.235 1.649 20 0 GDADMM CC(C)C(=O)NC[C@H]1CCCN(CC(=O)NCc2ccc(NC(=O)[O-])cc2)C1 ZINC000736346777 599783996 /nfs/dbraw/zinc/78/39/96/599783996.db2.gz KFYFJBRNGITSMR-MRXNPFEDSA-N -1 1 390.484 1.877 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2cccc(-c3ccccn3)c2)n1 ZINC000826357101 607394972 /nfs/dbraw/zinc/39/49/72/607394972.db2.gz RAHDXGXIOXQXSA-UHFFFAOYSA-N -1 1 375.396 1.984 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2cccc(-c3ccccn3)c2)n1 ZINC000826357101 607394973 /nfs/dbraw/zinc/39/49/73/607394973.db2.gz RAHDXGXIOXQXSA-UHFFFAOYSA-N -1 1 375.396 1.984 20 0 GDADMM COc1ccnc(N2CCN(C(=O)Nc3cccc(OCC(=O)[O-])c3)CC2)c1 ZINC000738126797 599818145 /nfs/dbraw/zinc/81/81/45/599818145.db2.gz KVJRSMDIMLRKDC-UHFFFAOYSA-N -1 1 386.408 1.908 20 0 GDADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000262406728 599835878 /nfs/dbraw/zinc/83/58/78/599835878.db2.gz OTTKDCCUYAEWTB-QEJZJMRPSA-N -1 1 397.435 1.734 20 0 GDADMM C[C@H](C(=O)NCC(=O)[O-])N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000736209233 599849908 /nfs/dbraw/zinc/84/99/08/599849908.db2.gz RFVMKFFUTSWWFP-DGCLKSJQSA-N -1 1 376.388 1.644 20 0 GDADMM O=C([O-])c1c(F)cccc1NS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000067660075 599851267 /nfs/dbraw/zinc/85/12/67/599851267.db2.gz BOWJSNPLLBXIAO-UHFFFAOYSA-N -1 1 381.385 1.889 20 0 GDADMM COc1ccc([C@@H](NCc2cccc(S(=O)(=O)N(C)C)c2)C(=O)[O-])cc1 ZINC000737972358 599860488 /nfs/dbraw/zinc/86/04/88/599860488.db2.gz VREVNPODNKCKHZ-QGZVFWFLSA-N -1 1 378.450 1.861 20 0 GDADMM Cc1cc(COC(=O)Cc2c(C)nc(-c3ncccn3)[nH]c2=O)oc1C(=O)[O-] ZINC000738392336 599861233 /nfs/dbraw/zinc/86/12/33/599861233.db2.gz KVLUYZRFNNLSQL-UHFFFAOYSA-N -1 1 384.348 1.833 20 0 GDADMM 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GDADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)NC1(CNC(=O)[O-])CCCC1 ZINC000740028123 602713855 /nfs/dbraw/zinc/71/38/55/602713855.db2.gz GARDWGPCPKMCSI-UHFFFAOYSA-N -1 1 386.412 1.187 20 0 GDADMM COc1ccc(OC)c(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826210887 607582369 /nfs/dbraw/zinc/58/23/69/607582369.db2.gz IMQJPAXGNZPXKU-UHFFFAOYSA-N -1 1 393.400 1.502 20 0 GDADMM COc1ccc(OC)c(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826210887 607582370 /nfs/dbraw/zinc/58/23/70/607582370.db2.gz IMQJPAXGNZPXKU-UHFFFAOYSA-N -1 1 393.400 1.502 20 0 GDADMM O=C1CCc2cc(OS(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)ccc2N1 ZINC000826480908 607582718 /nfs/dbraw/zinc/58/27/18/607582718.db2.gz XJLWAFZJYFDIRN-UHFFFAOYSA-N -1 1 389.368 1.658 20 0 GDADMM O=C1CCc2cc(OS(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)ccc2N1 ZINC000826480908 607582720 /nfs/dbraw/zinc/58/27/20/607582720.db2.gz XJLWAFZJYFDIRN-UHFFFAOYSA-N -1 1 389.368 1.658 20 0 GDADMM COc1cc(C(C)=O)ccc1OC[C@H](O)CN1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000739850254 602786012 /nfs/dbraw/zinc/78/60/12/602786012.db2.gz JEWNDQSIQMQNEF-APHBMKBZSA-N -1 1 380.441 1.616 20 0 GDADMM COc1cc(C(C)=O)ccc1OC[C@H](O)CN1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739850256 602786068 /nfs/dbraw/zinc/78/60/68/602786068.db2.gz JEWNDQSIQMQNEF-DAXOMENPSA-N -1 1 380.441 1.616 20 0 GDADMM C[C@@H]1CN(C(=O)NC2CCN(Cc3ccncc3)CC2)CC[C@H]1NC(=O)[O-] ZINC000739133570 602818679 /nfs/dbraw/zinc/81/86/79/602818679.db2.gz KWHUABAAYXWAHD-RHSMWYFYSA-N -1 1 375.473 1.734 20 0 GDADMM C[C@H]1CN(C(=O)NCc2cccnc2N2CCN(C)CC2)CC[C@H]1NC(=O)[O-] ZINC000739150543 602824791 /nfs/dbraw/zinc/82/47/91/602824791.db2.gz XBGIHWAHAZQQBQ-GOEBONIOSA-N -1 1 390.488 1.021 20 0 GDADMM O=C([O-])N(CC(=O)NC1CCN(Cc2ccncc2)CC1)C[C@@H]1CCCO1 ZINC000740362416 602853487 /nfs/dbraw/zinc/85/34/87/602853487.db2.gz FPFLNPRYABPQBW-KRWDZBQOSA-N -1 1 376.457 1.321 20 0 GDADMM C[C@H](C(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823668621 602871689 /nfs/dbraw/zinc/87/16/89/602871689.db2.gz FMWTVDKHYCQQKH-XOYOTBSWSA-N -1 1 375.469 1.689 20 0 GDADMM COc1cccc([C@H](CNC(=O)N2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)N(C)C)c1 ZINC000739944238 602931697 /nfs/dbraw/zinc/93/16/97/602931697.db2.gz COVRQJDFUKRMCY-XKQJLSEDSA-N -1 1 378.473 1.986 20 0 GDADMM O=C([O-])N[C@@H](CCC(=O)N1CC[C@@H](CN2CCOCC2)C1)c1ccccc1 ZINC000740533588 602971197 /nfs/dbraw/zinc/97/11/97/602971197.db2.gz QOKIBFIGCDTNAI-WMZOPIPTSA-N -1 1 375.469 1.956 20 0 GDADMM O=S(=O)(NCc1ccc(-n2ccnc2)cc1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826492087 607600059 /nfs/dbraw/zinc/60/00/59/607600059.db2.gz RVWZQTBETBPGRZ-UHFFFAOYSA-N -1 1 399.411 1.670 20 0 GDADMM O=S(=O)(NCc1ccc(-n2ccnc2)cc1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826492087 607600060 /nfs/dbraw/zinc/60/00/60/607600060.db2.gz RVWZQTBETBPGRZ-UHFFFAOYSA-N -1 1 399.411 1.670 20 0 GDADMM C[C@@H](CN(C)C(=O)[O-])c1noc(-c2ccc3c(c2)[nH]c(=S)n(C)c3=O)n1 ZINC000738906334 603019839 /nfs/dbraw/zinc/01/98/39/603019839.db2.gz DEGKNPUULHUOMG-QMMMGPOBSA-N -1 1 375.410 1.986 20 0 GDADMM COc1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c(N)c(OC)c1OC ZINC000826177698 607603218 /nfs/dbraw/zinc/60/32/18/607603218.db2.gz RGMCHBAAFDNQQZ-UHFFFAOYSA-N -1 1 386.368 1.227 20 0 GDADMM COc1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c(N)c(OC)c1OC ZINC000826177698 607603219 /nfs/dbraw/zinc/60/32/19/607603219.db2.gz RGMCHBAAFDNQQZ-UHFFFAOYSA-N -1 1 386.368 1.227 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCCC[C@H]1C1OCCO1 ZINC000826495675 607604299 /nfs/dbraw/zinc/60/42/99/607604299.db2.gz WQMKFFJADLDPTL-NSHDSACASA-N -1 1 399.860 1.436 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCCC[C@H]1C1OCCO1 ZINC000826495675 607604300 /nfs/dbraw/zinc/60/43/00/607604300.db2.gz WQMKFFJADLDPTL-NSHDSACASA-N -1 1 399.860 1.436 20 0 GDADMM CC(C)(C)c1nc([C@H]2CN(C(=O)C3CCC(NC(=O)[O-])CC3)CCO2)n[nH]1 ZINC000823864921 603078104 /nfs/dbraw/zinc/07/81/04/603078104.db2.gz RMFYPTRBMRZKEA-WXRRBKDZSA-N -1 1 379.461 1.829 20 0 GDADMM CC(C)(C)c1nnc([C@H]2CN(C(=O)C3CCC(NC(=O)[O-])CC3)CCO2)[nH]1 ZINC000823864921 603078110 /nfs/dbraw/zinc/07/81/10/603078110.db2.gz RMFYPTRBMRZKEA-WXRRBKDZSA-N -1 1 379.461 1.829 20 0 GDADMM Cc1nn(C)cc1[C@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826334484 607607460 /nfs/dbraw/zinc/60/74/60/607607460.db2.gz WSGJQVXIVWULOZ-VIFPVBQESA-N -1 1 381.849 1.602 20 0 GDADMM Cc1nn(C)cc1[C@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826334484 607607462 /nfs/dbraw/zinc/60/74/62/607607462.db2.gz WSGJQVXIVWULOZ-VIFPVBQESA-N -1 1 381.849 1.602 20 0 GDADMM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000739202797 603120056 /nfs/dbraw/zinc/12/00/56/603120056.db2.gz PYIMAECOFXOPLT-XJKSGUPXSA-N -1 1 376.457 1.666 20 0 GDADMM O=C([O-])NC[C@@H]1CCCN1C(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000832546509 603122719 /nfs/dbraw/zinc/12/27/19/603122719.db2.gz PLMZFMRATUTBHL-NSHDSACASA-N -1 1 376.438 1.334 20 0 GDADMM C[C@H]1CN(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)C[C@H](C)N1C(=O)[O-] ZINC000739147026 603127202 /nfs/dbraw/zinc/12/72/02/603127202.db2.gz MXALYZZQGMUJER-QWRGUYRKSA-N -1 1 376.392 1.893 20 0 GDADMM C[C@H]1CN(C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)C[C@H](C)N1C(=O)[O-] ZINC000739147026 603127207 /nfs/dbraw/zinc/12/72/07/603127207.db2.gz MXALYZZQGMUJER-QWRGUYRKSA-N -1 1 376.392 1.893 20 0 GDADMM COC(=O)C1CCC(NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000826134363 607609777 /nfs/dbraw/zinc/60/97/77/607609777.db2.gz WBENDXVZVQQUFU-UHFFFAOYSA-N -1 1 399.860 1.530 20 0 GDADMM COC(=O)C1CCC(NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000826134363 607609779 /nfs/dbraw/zinc/60/97/79/607609779.db2.gz WBENDXVZVQQUFU-UHFFFAOYSA-N -1 1 399.860 1.530 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCCOc1ncccc1F ZINC000826340711 607612814 /nfs/dbraw/zinc/61/28/14/607612814.db2.gz HXUSOHVAAKZOSC-UHFFFAOYSA-N -1 1 397.370 1.902 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCOc1ncccc1F ZINC000826340711 607612815 /nfs/dbraw/zinc/61/28/15/607612815.db2.gz HXUSOHVAAKZOSC-UHFFFAOYSA-N -1 1 397.370 1.902 20 0 GDADMM O=C([O-])N1[C@H](C(=O)N2CCN(CC3CCOCC3)CC2)C[C@@H]2CCCC[C@@H]21 ZINC000740344326 603241481 /nfs/dbraw/zinc/24/14/81/603241481.db2.gz FXDFYEMDHHIEQJ-BZSNNMDCSA-N -1 1 379.501 1.868 20 0 GDADMM CC(C)[C@@H](CNC(=O)Nc1cccc(CNC(=O)[O-])c1)N1CCN(C)CC1 ZINC000738788201 603324154 /nfs/dbraw/zinc/32/41/54/603324154.db2.gz ZHMVMEUCBLYSEU-QGZVFWFLSA-N -1 1 377.489 1.848 20 0 GDADMM COc1cc(CN(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)ccc1O ZINC000826179532 607622742 /nfs/dbraw/zinc/62/27/42/607622742.db2.gz SAZOUAXGSLCJAU-UHFFFAOYSA-N -1 1 393.400 1.541 20 0 GDADMM CN(Cc1ccccc1NC(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1)C(=O)[O-] ZINC000739713519 603341383 /nfs/dbraw/zinc/34/13/83/603341383.db2.gz JKEKCLLIMUQLJY-SJORKVTESA-N -1 1 376.457 1.859 20 0 GDADMM COc1ccc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1O ZINC000826203327 607624927 /nfs/dbraw/zinc/62/49/27/607624927.db2.gz JPUFTBMADDUZRH-UHFFFAOYSA-N -1 1 379.373 1.199 20 0 GDADMM O=S(=O)(N[C@@H](CO)c1cc(F)ccc1F)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826487746 607628467 /nfs/dbraw/zinc/62/84/67/607628467.db2.gz YHQGQAQRGUESCZ-ZDUSSCGKSA-N -1 1 399.354 1.296 20 0 GDADMM COc1ccc(CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1-c1nn[nH]n1 ZINC000826201073 607629323 /nfs/dbraw/zinc/62/93/23/607629323.db2.gz WSLQXOJLXWEDRM-UHFFFAOYSA-N -1 1 397.439 1.907 20 0 GDADMM COc1cc(NC(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)ccc1NC(=O)[O-] ZINC000829159084 603454022 /nfs/dbraw/zinc/45/40/22/603454022.db2.gz NHHQLEDLKRCMQR-ZDUSSCGKSA-N -1 1 376.373 1.817 20 0 GDADMM C[C@H](C(=O)N1CCN(C2CCOCC2)CC1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823668099 603512976 /nfs/dbraw/zinc/51/29/76/603512976.db2.gz BROWGLMPOAANMS-MAUKXSAKSA-N -1 1 375.469 1.955 20 0 GDADMM C[C@H]1CN(C(=O)Nc2cc(C(N)=O)ccc2CN(C)C)C[C@H](C)N1C(=O)[O-] ZINC000826007385 603562183 /nfs/dbraw/zinc/56/21/83/603562183.db2.gz IJZBZXAZAAKKIR-RYUDHWBXSA-N -1 1 377.445 1.452 20 0 GDADMM O=C([O-])Nc1ccc(CCNC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000740018114 603568110 /nfs/dbraw/zinc/56/81/10/603568110.db2.gz PEGMPVKBKLPKNH-SJORKVTESA-N -1 1 376.457 1.560 20 0 GDADMM O=C([O-])NCCc1ccc(CNC(=O)N2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000832671782 603644951 /nfs/dbraw/zinc/64/49/51/603644951.db2.gz HUFOWNPTZBYMAH-GOSISDBHSA-N -1 1 390.484 1.360 20 0 GDADMM CC1(C)[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)[C@@H]2CCO[C@H]21 ZINC000824790716 607643506 /nfs/dbraw/zinc/64/35/06/607643506.db2.gz PLPKVBSWOZQOTH-ZEGGKSINSA-N -1 1 383.861 1.612 20 0 GDADMM CC1(C)[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)[C@@H]2CCO[C@H]21 ZINC000824790716 607643508 /nfs/dbraw/zinc/64/35/08/607643508.db2.gz PLPKVBSWOZQOTH-ZEGGKSINSA-N -1 1 383.861 1.612 20 0 GDADMM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000826109159 603666830 /nfs/dbraw/zinc/66/68/30/603666830.db2.gz JAPQHBDDEWCQON-XJKSGUPXSA-N -1 1 376.457 1.666 20 0 GDADMM CCCN(C(=O)CCN1CCN(c2ccccn2)CC1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000826862230 603756503 /nfs/dbraw/zinc/75/65/03/603756503.db2.gz CCZJARGORQRLCT-QGZVFWFLSA-N -1 1 389.500 1.585 20 0 GDADMM CN1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c2ccc(F)cc21 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/nfs/dbraw/zinc/14/35/89/605143589.db2.gz HSVIBOAUWFVJHD-WFASDCNBSA-N -1 1 375.473 1.573 20 0 GDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000833626206 605162461 /nfs/dbraw/zinc/16/24/61/605162461.db2.gz YNNLPCOJBBQYBF-ZBEGNZNMSA-N -1 1 381.379 1.465 20 0 GDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000833626205 605162568 /nfs/dbraw/zinc/16/25/68/605162568.db2.gz YNNLPCOJBBQYBF-MEDUHNTESA-N -1 1 381.379 1.465 20 0 GDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000833618946 605164597 /nfs/dbraw/zinc/16/45/97/605164597.db2.gz HCTORAZTXSZFJH-UKRRQHHQSA-N -1 1 383.514 1.086 20 0 GDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000833618944 605165030 /nfs/dbraw/zinc/16/50/30/605165030.db2.gz HCTORAZTXSZFJH-DZGCQCFKSA-N -1 1 383.514 1.086 20 0 GDADMM COc1cc(OC)c(NC(=O)CN2CCN(CCC(=O)[O-])C[C@@H]2C)cc1Cl ZINC000833729436 605195602 /nfs/dbraw/zinc/19/56/02/605195602.db2.gz SACYBWKIFFZYBB-LBPRGKRZSA-N -1 1 399.875 1.777 20 0 GDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(S[C@@H]2CCOC2=O)cc1 ZINC000833626931 605206686 /nfs/dbraw/zinc/20/66/86/605206686.db2.gz SKMXHPVQOSLJRW-XJKSGUPXSA-N -1 1 392.477 1.715 20 0 GDADMM CC(=O)N1CCCN([C@@H]2CN(C(=O)C3CCC(C(=O)[O-])CC3)C[C@H]2C)CC1 ZINC000833393764 605214555 /nfs/dbraw/zinc/21/45/55/605214555.db2.gz QFAHEEYAOIJSAV-AGERRDQYSA-N -1 1 379.501 1.279 20 0 GDADMM C[C@H]1CN(C(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)CCN1CCC(=O)[O-] ZINC000833618638 605276751 /nfs/dbraw/zinc/27/67/51/605276751.db2.gz PVWNPXWYKKJVDF-MEDUHNTESA-N -1 1 381.379 1.465 20 0 GDADMM O=C([O-])N[C@H](CC(F)F)C(=O)Nc1ccc2nc(N3CCOCC3)[nH]c2c1 ZINC000834135053 605311853 /nfs/dbraw/zinc/31/18/53/605311853.db2.gz VHQXKXHUCURALA-GFCCVEGCSA-N -1 1 383.355 1.629 20 0 GDADMM O=C([O-])N[C@@H]1CCC[C@@H]2CN(CC3=Nc4ccccc4S(=O)(=O)N3)C[C@@H]21 ZINC000834188603 605445898 /nfs/dbraw/zinc/44/58/98/605445898.db2.gz QPTFWVKGJLVKBB-FRRDWIJNSA-N -1 1 378.454 1.377 20 0 GDADMM Cn1c(=O)c2ccc(C(=O)N(C3CC3)[C@@H]3CCN(C(=O)[O-])C3)cc2[nH]c1=S ZINC000830979196 605462437 /nfs/dbraw/zinc/46/24/37/605462437.db2.gz VNZBHUMDMNAQKX-GFCCVEGCSA-N -1 1 388.449 1.579 20 0 GDADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N(C1CC1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000825458636 605465105 /nfs/dbraw/zinc/46/51/05/605465105.db2.gz JNFHCTOBDMYTBZ-DGCLKSJQSA-N -1 1 385.424 1.425 20 0 GDADMM CC(C)[C@@H](CCN(C)C(=O)C(=O)Nc1cnn(-c2ccncc2)c1)NC(=O)[O-] ZINC000824078209 605498506 /nfs/dbraw/zinc/49/85/06/605498506.db2.gz ILJOTOSHFMDTJH-OAHLLOKOSA-N -1 1 388.428 1.347 20 0 GDADMM CC(C)CNC(=O)[C@H](C)N1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)[O-])C1 ZINC000833797198 605513764 /nfs/dbraw/zinc/51/37/64/605513764.db2.gz VFYJINFYUMMYKZ-XHSDSOJGSA-N -1 1 382.505 1.118 20 0 GDADMM O=C([O-])N1CCC(CC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000831350341 605522360 /nfs/dbraw/zinc/52/23/60/605522360.db2.gz NRMMHEYLOBFYSJ-RTBURBONSA-N -1 1 389.496 1.766 20 0 GDADMM CC(C)(C)OC(=O)N1CCC(CCN2CC(n3cc(C(=O)[O-])nn3)C2)CC1 ZINC000833435169 605555782 /nfs/dbraw/zinc/55/57/82/605555782.db2.gz DIOCFISGAQAFGJ-UHFFFAOYSA-N -1 1 379.461 1.870 20 0 GDADMM O=C([O-])NC1CCN(CC(=O)NC[C@@H](c2ccco2)N2CCCCC2)CC1 ZINC000832381545 605579644 /nfs/dbraw/zinc/57/96/44/605579644.db2.gz JTBTWMZIGDAGPN-INIZCTEOSA-N -1 1 378.473 1.655 20 0 GDADMM CC(C)CN1CCO[C@@H](CNC(=O)c2cnn([C@@H]3CCCN(C(=O)[O-])C3)c2)C1 ZINC000833797511 605607727 /nfs/dbraw/zinc/60/77/27/605607727.db2.gz XMMCDYPXGRSKLG-SJORKVTESA-N -1 1 393.488 1.285 20 0 GDADMM O=C([O-])N1CC[C@H](CNC(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C1 ZINC000834031913 605636723 /nfs/dbraw/zinc/63/67/23/605636723.db2.gz LUNNFOLGDXENLM-MRVPVSSYSA-N -1 1 381.339 1.555 20 0 GDADMM O=C([O-])N(CC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)CC1CC1 ZINC000834005212 605682118 /nfs/dbraw/zinc/68/21/18/605682118.db2.gz BMKDZVCFABYRDY-MSOLQXFVSA-N -1 1 375.469 1.376 20 0 GDADMM O=C([O-])N(CC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)CC1CC1 ZINC000834005215 605682317 /nfs/dbraw/zinc/68/23/17/605682317.db2.gz BMKDZVCFABYRDY-QZTJIDSGSA-N -1 1 375.469 1.376 20 0 GDADMM NC(=O)C[C@H](NC(=O)[O-])C(=O)Nc1cc(Cl)cc(Br)c1O ZINC000833983999 605762339 /nfs/dbraw/zinc/76/23/39/605762339.db2.gz ZKMZKLUPKNESQG-ZETCQYMHSA-N -1 1 380.582 1.258 20 0 GDADMM C[C@]1(C(=O)OCC2=Nc3ccccc3S(=O)(=O)N2)CCCCN1C(=O)[O-] ZINC000833821639 605867196 /nfs/dbraw/zinc/86/71/96/605867196.db2.gz HSIAQDZPIFGIGF-MRXNPFEDSA-N -1 1 381.410 1.474 20 0 GDADMM C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1C[C@@H](CNC(=O)[O-])C[C@H]1C ZINC000833832211 605905077 /nfs/dbraw/zinc/90/50/77/605905077.db2.gz ROOVKSGEWKTDFI-BZUAXINKSA-N -1 1 390.484 1.828 20 0 GDADMM O=C([O-])N1CCC[C@@H](NC(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C1 ZINC000833769438 605933626 /nfs/dbraw/zinc/93/36/26/605933626.db2.gz CGPMPHHQRKSWDF-SECBINFHSA-N -1 1 381.339 1.698 20 0 GDADMM O=C([O-])N[C@H]1CCN(CC(=O)Nc2cccc(CN3CCSCC3)c2)C1 ZINC000740595830 605935654 /nfs/dbraw/zinc/93/56/54/605935654.db2.gz WAXUEHUTUQTJNE-INIZCTEOSA-N -1 1 378.498 1.516 20 0 GDADMM CC[C@@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CC[C@H]1c1ccccc1 ZINC000820995305 606038696 /nfs/dbraw/zinc/03/86/96/606038696.db2.gz PIXMEQLFENYPQP-UKRRQHHQSA-N -1 1 395.467 1.284 20 0 GDADMM O=C(NC[C@@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000823176751 606106746 /nfs/dbraw/zinc/10/67/46/606106746.db2.gz YBWNIQCNJIFXBT-INIZCTEOSA-N -1 1 391.435 1.686 20 0 GDADMM O=C(NC[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000823176751 606106748 /nfs/dbraw/zinc/10/67/48/606106748.db2.gz YBWNIQCNJIFXBT-INIZCTEOSA-N -1 1 391.435 1.686 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)Nc2ccc(CN3CCOC3=O)cc2)n1 ZINC000822619842 606162227 /nfs/dbraw/zinc/16/22/27/606162227.db2.gz HZCLCBVRFOPGOG-UHFFFAOYSA-N -1 1 383.372 1.196 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)Nc2ccc(CN3CCOC3=O)cc2)n1 ZINC000822619842 606162229 /nfs/dbraw/zinc/16/22/29/606162229.db2.gz HZCLCBVRFOPGOG-UHFFFAOYSA-N -1 1 383.372 1.196 20 0 GDADMM COc1ccccc1C[C@@H]1CCCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821890367 606162653 /nfs/dbraw/zinc/16/26/53/606162653.db2.gz MPZYDPPGMFZLSX-ZDUSSCGKSA-N -1 1 382.428 1.848 20 0 GDADMM COc1ccccc1C[C@@H]1CCCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821890367 606162656 /nfs/dbraw/zinc/16/26/56/606162656.db2.gz MPZYDPPGMFZLSX-ZDUSSCGKSA-N -1 1 382.428 1.848 20 0 GDADMM COc1ccccc1C[C@H]1CCCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821890365 606162768 /nfs/dbraw/zinc/16/27/68/606162768.db2.gz MPZYDPPGMFZLSX-CYBMUJFWSA-N -1 1 382.428 1.848 20 0 GDADMM COc1ccccc1C[C@H]1CCCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821890365 606162770 /nfs/dbraw/zinc/16/27/70/606162770.db2.gz MPZYDPPGMFZLSX-CYBMUJFWSA-N -1 1 382.428 1.848 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccc(N3CCCC3=O)cc2)n1 ZINC000822620494 606163204 /nfs/dbraw/zinc/16/32/04/606163204.db2.gz TWSXSZVSLXPTLS-UHFFFAOYSA-N -1 1 381.400 1.049 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccc(N3CCCC3=O)cc2)n1 ZINC000822620494 606163206 /nfs/dbraw/zinc/16/32/06/606163206.db2.gz TWSXSZVSLXPTLS-UHFFFAOYSA-N -1 1 381.400 1.049 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)n1 ZINC000822609807 606167726 /nfs/dbraw/zinc/16/77/26/606167726.db2.gz VRWPTCIESICURR-LBPRGKRZSA-N -1 1 382.384 1.698 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)n1 ZINC000822609807 606167727 /nfs/dbraw/zinc/16/77/27/606167727.db2.gz VRWPTCIESICURR-LBPRGKRZSA-N -1 1 382.384 1.698 20 0 GDADMM CC(C)Oc1ccc([C@@H](O)CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000820155663 606170459 /nfs/dbraw/zinc/17/04/59/606170459.db2.gz UIIWZKCWVYEOPJ-AWEZNQCLSA-N -1 1 386.416 1.243 20 0 GDADMM CC(C)Oc1ccc([C@@H](O)CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000820155663 606170460 /nfs/dbraw/zinc/17/04/60/606170460.db2.gz UIIWZKCWVYEOPJ-AWEZNQCLSA-N -1 1 386.416 1.243 20 0 GDADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(Cc2csc([C@@H](C)OC)n2)c1 ZINC000821667105 606170776 /nfs/dbraw/zinc/17/07/76/606170776.db2.gz UXLNKMQFYYYLMX-MRVPVSSYSA-N -1 1 376.398 1.027 20 0 GDADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(Cc2ncc(-c3cccc(F)c3)o2)c1 ZINC000821666847 606171008 /nfs/dbraw/zinc/17/10/08/606171008.db2.gz IVGRSNPGLSTKCC-UHFFFAOYSA-N -1 1 396.338 1.657 20 0 GDADMM C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1cc(-c3nn[nH]n3)ccc1[O-])C2=O ZINC000820698285 606195182 /nfs/dbraw/zinc/19/51/82/606195182.db2.gz SIAXOGMWVSDKKP-MLCYQJTMSA-N -1 1 399.411 1.012 20 0 GDADMM CC(C)c1nc(C2(NC(=O)Nc3nn(C)cc3-c3nnn[n-]3)CCCC2)no1 ZINC000820203135 606195301 /nfs/dbraw/zinc/19/53/01/606195301.db2.gz QBIYZBMXZBOFSC-UHFFFAOYSA-N -1 1 386.420 1.698 20 0 GDADMM CC(C)c1nc(C2(NC(=O)Nc3nn(C)cc3-c3nn[n-]n3)CCCC2)no1 ZINC000820203135 606195302 /nfs/dbraw/zinc/19/53/02/606195302.db2.gz QBIYZBMXZBOFSC-UHFFFAOYSA-N -1 1 386.420 1.698 20 0 GDADMM Cc1nc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])nn1-c1ccc(F)cc1 ZINC000822423605 606293088 /nfs/dbraw/zinc/29/30/88/606293088.db2.gz MFHCZUXZVDAEPP-UHFFFAOYSA-N -1 1 380.343 1.853 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@@H](c1ccco1)N(C)C ZINC000822005997 606295651 /nfs/dbraw/zinc/29/56/51/606295651.db2.gz WNIFEQPLXIODIG-AWEZNQCLSA-N -1 1 399.455 1.529 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)N2CCN(C3CC3)C(=O)C2)c1-c1nn[n-]n1 ZINC000821990922 606326895 /nfs/dbraw/zinc/32/68/95/606326895.db2.gz ZEXCQSOEWGDKKR-UHFFFAOYSA-N -1 1 399.480 1.308 20 0 GDADMM O=C1CCCN1c1ccc(OS(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000823530432 606381391 /nfs/dbraw/zinc/38/13/91/606381391.db2.gz JNBCUGMJHQJJGK-UHFFFAOYSA-N -1 1 385.405 1.761 20 0 GDADMM O=C(COC(=O)[C@H]1C[C@@H]1C1CC1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000823018559 606392521 /nfs/dbraw/zinc/39/25/21/606392521.db2.gz RRVOJXNLAMUCJB-KGLIPLIRSA-N -1 1 393.407 1.580 20 0 GDADMM O=C(COC(=O)[C@H]1C[C@@H]1C1CC1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000823018559 606392522 /nfs/dbraw/zinc/39/25/22/606392522.db2.gz RRVOJXNLAMUCJB-KGLIPLIRSA-N -1 1 393.407 1.580 20 0 GDADMM CN1C(=O)N[C@]2(CCC[C@H]2CNc2cc(-c3nnn[n-]3)nc3ccccc32)C1=O ZINC000821620565 606423012 /nfs/dbraw/zinc/42/30/12/606423012.db2.gz OXEMDKCEAFJSDG-WLRWDXFRSA-N -1 1 392.423 1.547 20 0 GDADMM CN1C(=O)N[C@]2(CCC[C@H]2CNc2cc(-c3nn[n-]n3)nc3ccccc32)C1=O ZINC000821620565 606423014 /nfs/dbraw/zinc/42/30/14/606423014.db2.gz OXEMDKCEAFJSDG-WLRWDXFRSA-N -1 1 392.423 1.547 20 0 GDADMM CCOC(=O)c1ccc(C[N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)o1 ZINC000821343819 606437002 /nfs/dbraw/zinc/43/70/02/606437002.db2.gz UXNNGSSSWNGKAS-UHFFFAOYSA-N -1 1 395.372 1.254 20 0 GDADMM CC1(CNC(=O)N2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)CC1 ZINC000820618697 606441445 /nfs/dbraw/zinc/44/14/45/606441445.db2.gz MHQDOMTYBVVLGY-UHFFFAOYSA-N -1 1 398.427 1.746 20 0 GDADMM C[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)c1cccc(S(N)(=O)=O)c1 ZINC000820462611 606442696 /nfs/dbraw/zinc/44/26/96/606442696.db2.gz ZAUMBWAYZIQQPN-ZCFIWIBFSA-N -1 1 385.862 1.797 20 0 GDADMM C[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)c1cccc(S(N)(=O)=O)c1 ZINC000820462611 606442697 /nfs/dbraw/zinc/44/26/97/606442697.db2.gz ZAUMBWAYZIQQPN-ZCFIWIBFSA-N -1 1 385.862 1.797 20 0 GDADMM O=C1CCc2cc(S(=O)(=O)[N-]c3n[nH]cc3Br)cc3c2N1CC3 ZINC000530157557 649966737 /nfs/dbraw/zinc/96/67/37/649966737.db2.gz VJKJQPNCSOZBKG-UHFFFAOYSA-N -1 1 397.254 1.808 20 0 GDADMM C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820563892 606464113 /nfs/dbraw/zinc/46/41/13/606464113.db2.gz WMVKBYCGGUGDSV-VIFPVBQESA-N -1 1 393.860 1.760 20 0 GDADMM C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820563892 606464114 /nfs/dbraw/zinc/46/41/14/606464114.db2.gz WMVKBYCGGUGDSV-VIFPVBQESA-N -1 1 393.860 1.760 20 0 GDADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(S(C)(=O)=O)cc1 ZINC000820389943 606498255 /nfs/dbraw/zinc/49/82/55/606498255.db2.gz CGNWFTVYBLRIPR-VIFPVBQESA-N -1 1 377.451 1.823 20 0 GDADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(S(C)(=O)=O)cc1 ZINC000820389943 606498257 /nfs/dbraw/zinc/49/82/57/606498257.db2.gz CGNWFTVYBLRIPR-VIFPVBQESA-N -1 1 377.451 1.823 20 0 GDADMM O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000823041205 606531518 /nfs/dbraw/zinc/53/15/18/606531518.db2.gz UVOMNGUYWACJLE-UHFFFAOYSA-N -1 1 389.375 1.838 20 0 GDADMM O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000823041205 606531520 /nfs/dbraw/zinc/53/15/20/606531520.db2.gz UVOMNGUYWACJLE-UHFFFAOYSA-N -1 1 389.375 1.838 20 0 GDADMM Cc1ncc(CN2CCN(C(=O)c3ccc(-c4nnn[n-]4)s3)CC2)s1 ZINC000822471769 606558489 /nfs/dbraw/zinc/55/84/89/606558489.db2.gz JPARIJBPTPGSCP-UHFFFAOYSA-N -1 1 375.483 1.651 20 0 GDADMM Cc1ncc(CN2CCN(C(=O)c3ccc(-c4nn[n-]n4)s3)CC2)s1 ZINC000822471769 606558490 /nfs/dbraw/zinc/55/84/90/606558490.db2.gz JPARIJBPTPGSCP-UHFFFAOYSA-N -1 1 375.483 1.651 20 0 GDADMM O=C(Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823519765 606570596 /nfs/dbraw/zinc/57/05/96/606570596.db2.gz IKOBWTLNGBVTKI-JTQLQIEISA-N -1 1 382.405 1.386 20 0 GDADMM O=C(Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823519765 606570597 /nfs/dbraw/zinc/57/05/97/606570597.db2.gz IKOBWTLNGBVTKI-JTQLQIEISA-N -1 1 382.405 1.386 20 0 GDADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1nc(C2CCCCC2)no1 ZINC000820380034 606578663 /nfs/dbraw/zinc/57/86/63/606578663.db2.gz JYDUBLJOMFQBGE-VIFPVBQESA-N -1 1 386.420 1.914 20 0 GDADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1nc(C2CCCCC2)no1 ZINC000820380034 606578664 /nfs/dbraw/zinc/57/86/64/606578664.db2.gz JYDUBLJOMFQBGE-VIFPVBQESA-N -1 1 386.420 1.914 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)c1-c1nn[n-]n1 ZINC000821988092 606581223 /nfs/dbraw/zinc/58/12/23/606581223.db2.gz BZJMLFCHSHVPLN-JTQLQIEISA-N -1 1 399.480 1.354 20 0 GDADMM CC[C@@H](NC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1)C(=O)OC ZINC000820921615 606582184 /nfs/dbraw/zinc/58/21/84/606582184.db2.gz ZVHYKFNFQYAQGI-SNVBAGLBSA-N -1 1 376.442 1.542 20 0 GDADMM CN(Cc1ccccc1N1CCCC1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821614438 606597157 /nfs/dbraw/zinc/59/71/57/606597157.db2.gz GBIIBLBNWUVJEJ-UHFFFAOYSA-N -1 1 381.444 1.864 20 0 GDADMM CN(Cc1ccccc1N1CCCC1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821614438 606597160 /nfs/dbraw/zinc/59/71/60/606597160.db2.gz GBIIBLBNWUVJEJ-UHFFFAOYSA-N -1 1 381.444 1.864 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000823482926 606623493 /nfs/dbraw/zinc/62/34/93/606623493.db2.gz CGZRSJFSEKJJDZ-QWRGUYRKSA-N -1 1 391.478 1.954 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000823482926 606623495 /nfs/dbraw/zinc/62/34/95/606623495.db2.gz CGZRSJFSEKJJDZ-QWRGUYRKSA-N -1 1 391.478 1.954 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cccc(N2C(=O)CCC2=O)c1 ZINC000823436266 606647696 /nfs/dbraw/zinc/64/76/96/606647696.db2.gz ODQCMQMSNARMIZ-UHFFFAOYSA-N -1 1 378.348 1.272 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cccc(N2C(=O)CCC2=O)c1 ZINC000823436266 606647697 /nfs/dbraw/zinc/64/76/97/606647697.db2.gz ODQCMQMSNARMIZ-UHFFFAOYSA-N -1 1 378.348 1.272 20 0 GDADMM COc1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc(NC(C)=O)c1OC ZINC000821703118 606647795 /nfs/dbraw/zinc/64/77/95/606647795.db2.gz POYVHPYYBJMNPB-UHFFFAOYSA-N -1 1 398.379 1.594 20 0 GDADMM COc1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc(NC(C)=O)c1OC ZINC000821703118 606647796 /nfs/dbraw/zinc/64/77/96/606647796.db2.gz POYVHPYYBJMNPB-UHFFFAOYSA-N -1 1 398.379 1.594 20 0 GDADMM COc1ccc(N2C[C@@H](C(=O)OCc3ccnc(-c4nnn[n-]4)c3)CC2=O)cc1 ZINC000821831748 606647798 /nfs/dbraw/zinc/64/77/98/606647798.db2.gz LHPQPOLIUYMIEU-ZDUSSCGKSA-N -1 1 394.391 1.367 20 0 GDADMM COc1ccc(N2C[C@@H](C(=O)OCc3ccnc(-c4nn[n-]n4)c3)CC2=O)cc1 ZINC000821831748 606647799 /nfs/dbraw/zinc/64/77/99/606647799.db2.gz LHPQPOLIUYMIEU-ZDUSSCGKSA-N -1 1 394.391 1.367 20 0 GDADMM COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821667117 606651208 /nfs/dbraw/zinc/65/12/08/606651208.db2.gz VTXMIWZOCDHDAD-UHFFFAOYSA-N -1 1 398.379 1.173 20 0 GDADMM COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821667117 606651209 /nfs/dbraw/zinc/65/12/09/606651209.db2.gz VTXMIWZOCDHDAD-UHFFFAOYSA-N -1 1 398.379 1.173 20 0 GDADMM C[C@H](C(=O)OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000819882542 606653284 /nfs/dbraw/zinc/65/32/84/606653284.db2.gz BFVHHCUBHADJHD-NSHDSACASA-N -1 1 387.421 1.512 20 0 GDADMM C[C@H](C(=O)OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000819882542 606653285 /nfs/dbraw/zinc/65/32/85/606653285.db2.gz BFVHHCUBHADJHD-NSHDSACASA-N -1 1 387.421 1.512 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCC[C@H](O)c2ccccc2)cc1-c1nn[n-]n1 ZINC000821979227 606658710 /nfs/dbraw/zinc/65/87/10/606658710.db2.gz QBUOONDZCMZVHQ-ZDUSSCGKSA-N -1 1 386.437 1.543 20 0 GDADMM O=C(C[C@@H]1CCCCO1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000822940942 606669710 /nfs/dbraw/zinc/66/97/10/606669710.db2.gz KRTDMOYINOEBDO-ZDUSSCGKSA-N -1 1 387.444 1.340 20 0 GDADMM COc1ccc(-n2cc(CNC(=O)c3ccc(-c4nnn[n-]4)s3)nn2)cc1 ZINC000821769157 606687494 /nfs/dbraw/zinc/68/74/94/606687494.db2.gz DYIZOXKDHRYSKA-UHFFFAOYSA-N -1 1 382.409 1.448 20 0 GDADMM COc1ccc(-n2cc(CNC(=O)c3ccc(-c4nn[n-]n4)s3)nn2)cc1 ZINC000821769157 606687495 /nfs/dbraw/zinc/68/74/95/606687495.db2.gz DYIZOXKDHRYSKA-UHFFFAOYSA-N -1 1 382.409 1.448 20 0 GDADMM CC[C@H](C)C(=O)COC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000820859382 606751789 /nfs/dbraw/zinc/75/17/89/606751789.db2.gz DSOJDUSODJNDMB-JTQLQIEISA-N -1 1 385.428 1.617 20 0 GDADMM CC[C@H](C)C(=O)COC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000820859382 606751791 /nfs/dbraw/zinc/75/17/91/606751791.db2.gz DSOJDUSODJNDMB-JTQLQIEISA-N -1 1 385.428 1.617 20 0 GDADMM C[C@@]1(C(=O)OCC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)CCCO1 ZINC000820577442 606752821 /nfs/dbraw/zinc/75/28/21/606752821.db2.gz PXQOAWHUDNGJAT-SFHVURJKSA-N -1 1 397.395 1.103 20 0 GDADMM C[C@@]1(C(=O)OCC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)CCCO1 ZINC000820577442 606752822 /nfs/dbraw/zinc/75/28/22/606752822.db2.gz PXQOAWHUDNGJAT-SFHVURJKSA-N -1 1 397.395 1.103 20 0 GDADMM COC[C@H](C)CC(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000821681882 606760613 /nfs/dbraw/zinc/76/06/13/606760613.db2.gz URAKUWPNECURGW-GFCCVEGCSA-N -1 1 399.411 1.207 20 0 GDADMM COC[C@H](C)CC(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000821681882 606760615 /nfs/dbraw/zinc/76/06/15/606760615.db2.gz URAKUWPNECURGW-GFCCVEGCSA-N -1 1 399.411 1.207 20 0 GDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)Cc1cccc(I)c1 ZINC000822904363 606765086 /nfs/dbraw/zinc/76/50/86/606765086.db2.gz WLZDMMFOUYVKLO-UHFFFAOYSA-N -1 1 395.164 1.133 20 0 GDADMM CC(C)n1nccc1NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820788264 606767115 /nfs/dbraw/zinc/76/71/15/606767115.db2.gz BUYJJNUIJJJETK-LBPRGKRZSA-N -1 1 397.447 1.177 20 0 GDADMM CC(C)n1nccc1NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820788264 606767117 /nfs/dbraw/zinc/76/71/17/606767117.db2.gz BUYJJNUIJJJETK-LBPRGKRZSA-N -1 1 397.447 1.177 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)Nc1ccccc1F ZINC000820788535 606767605 /nfs/dbraw/zinc/76/76/05/606767605.db2.gz JIZVOJXDLSQNOF-LLVKDONJSA-N -1 1 383.391 1.538 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)Nc1ccccc1F ZINC000820788535 606767607 /nfs/dbraw/zinc/76/76/07/606767607.db2.gz JIZVOJXDLSQNOF-LLVKDONJSA-N -1 1 383.391 1.538 20 0 GDADMM COCCC1(CNC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)CCC1 ZINC000821686599 606769021 /nfs/dbraw/zinc/76/90/21/606769021.db2.gz XWVXRWOKHARNIR-UHFFFAOYSA-N -1 1 378.458 1.626 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NC1CCCCCCC1 ZINC000820788524 606786572 /nfs/dbraw/zinc/78/65/72/606786572.db2.gz JFRCQVDHBLLNTL-CQSZACIVSA-N -1 1 399.503 1.990 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NC1CCCCCCC1 ZINC000820788524 606786573 /nfs/dbraw/zinc/78/65/73/606786573.db2.gz JFRCQVDHBLLNTL-CQSZACIVSA-N -1 1 399.503 1.990 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCCC1CCCC1 ZINC000820789296 606787513 /nfs/dbraw/zinc/78/75/13/606787513.db2.gz ZYGZDMHLWLUSBG-CQSZACIVSA-N -1 1 399.503 1.847 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCCC1CCCC1 ZINC000820789296 606787516 /nfs/dbraw/zinc/78/75/16/606787516.db2.gz ZYGZDMHLWLUSBG-CQSZACIVSA-N -1 1 399.503 1.847 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N[C@H]1CCCC1(C)C ZINC000820789120 606794303 /nfs/dbraw/zinc/79/43/03/606794303.db2.gz VWUYEMIPFMSDRD-OLZOCXBDSA-N -1 1 385.476 1.456 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N[C@H]1CCCC1(C)C ZINC000820789120 606794305 /nfs/dbraw/zinc/79/43/05/606794305.db2.gz VWUYEMIPFMSDRD-OLZOCXBDSA-N -1 1 385.476 1.456 20 0 GDADMM CC(C)c1cccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)n1 ZINC000820191962 606809178 /nfs/dbraw/zinc/80/91/78/606809178.db2.gz CBYQFCYQNHAIAG-ZDUSSCGKSA-N -1 1 393.455 1.526 20 0 GDADMM CC(C)c1cccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)n1 ZINC000820191962 606809179 /nfs/dbraw/zinc/80/91/79/606809179.db2.gz CBYQFCYQNHAIAG-ZDUSSCGKSA-N -1 1 393.455 1.526 20 0 GDADMM C[C@@H](CC1CCCC1)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820234997 606821186 /nfs/dbraw/zinc/82/11/86/606821186.db2.gz QADIQDZXIFAHQW-KBPBESRZSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](CC1CCCC1)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820234997 606821187 /nfs/dbraw/zinc/82/11/87/606821187.db2.gz QADIQDZXIFAHQW-KBPBESRZSA-N -1 1 384.488 1.910 20 0 GDADMM Cc1cc(F)cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1 ZINC000822203230 606822599 /nfs/dbraw/zinc/82/25/99/606822599.db2.gz JZSXONZUZCJHDK-LBPRGKRZSA-N -1 1 382.403 1.455 20 0 GDADMM Cc1cc(F)cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1 ZINC000822203230 606822600 /nfs/dbraw/zinc/82/26/00/606822600.db2.gz JZSXONZUZCJHDK-LBPRGKRZSA-N -1 1 382.403 1.455 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc(Cl)s1 ZINC000820788642 606823977 /nfs/dbraw/zinc/82/39/77/606823977.db2.gz LFXRMGSISCSSAE-VIFPVBQESA-N -1 1 390.860 1.723 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc(Cl)s1 ZINC000820788642 606823979 /nfs/dbraw/zinc/82/39/79/606823979.db2.gz LFXRMGSISCSSAE-VIFPVBQESA-N -1 1 390.860 1.723 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)COC1CCCCC1 ZINC000820776992 606825171 /nfs/dbraw/zinc/82/51/71/606825171.db2.gz OPMDWXRAIFNILN-CYBMUJFWSA-N -1 1 386.460 1.043 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)COC1CCCCC1 ZINC000820776992 606825173 /nfs/dbraw/zinc/82/51/73/606825173.db2.gz OPMDWXRAIFNILN-CYBMUJFWSA-N -1 1 386.460 1.043 20 0 GDADMM COc1ccccc1N1CC[C@H](OC(=O)c2ccc(-c3nnn[n-]3)nc2)C1=O ZINC000821897251 606826853 /nfs/dbraw/zinc/82/68/53/606826853.db2.gz HESHNUHKEUZOTQ-HNNXBMFYSA-N -1 1 380.364 1.233 20 0 GDADMM COc1ccccc1N1CC[C@H](OC(=O)c2ccc(-c3nn[n-]n3)nc2)C1=O ZINC000821897251 606826855 /nfs/dbraw/zinc/82/68/55/606826855.db2.gz HESHNUHKEUZOTQ-HNNXBMFYSA-N -1 1 380.364 1.233 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)Nc1ccc(O)cc1 ZINC000822459528 606831861 /nfs/dbraw/zinc/83/18/61/606831861.db2.gz QZWPPGGPAANOBW-UHFFFAOYSA-N -1 1 378.396 1.803 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)Nc1ccc(O)cc1 ZINC000822459528 606831863 /nfs/dbraw/zinc/83/18/63/606831863.db2.gz QZWPPGGPAANOBW-UHFFFAOYSA-N -1 1 378.396 1.803 20 0 GDADMM Cc1cc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)ccc1F ZINC000822208532 606835086 /nfs/dbraw/zinc/83/50/86/606835086.db2.gz WUEHHQXNLBTOIQ-LBPRGKRZSA-N -1 1 397.418 1.847 20 0 GDADMM Cc1cc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)ccc1F ZINC000822208532 606835088 /nfs/dbraw/zinc/83/50/88/606835088.db2.gz WUEHHQXNLBTOIQ-LBPRGKRZSA-N -1 1 397.418 1.847 20 0 GDADMM CN(CCOc1ccccc1F)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821604801 606840977 /nfs/dbraw/zinc/84/09/77/606840977.db2.gz HNPSFKLVFFEIJC-UHFFFAOYSA-N -1 1 395.391 1.844 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1sccc1C1CC1 ZINC000820788405 606854827 /nfs/dbraw/zinc/85/48/27/606854827.db2.gz GJBCDOUFXNFBMA-LLVKDONJSA-N -1 1 396.480 1.947 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1sccc1C1CC1 ZINC000820788405 606854829 /nfs/dbraw/zinc/85/48/29/606854829.db2.gz GJBCDOUFXNFBMA-LLVKDONJSA-N -1 1 396.480 1.947 20 0 GDADMM C[C@@H]1CC[C@@H](C(=O)N2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)O1 ZINC000820678599 606864854 /nfs/dbraw/zinc/86/48/54/606864854.db2.gz WELYVYYKZYGZKF-YPMHNXCESA-N -1 1 399.411 1.331 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@@H]1CCC(F)(F)C1 ZINC000822459207 606953527 /nfs/dbraw/zinc/95/35/27/606953527.db2.gz ORIYYCOBBZJUAI-LLVKDONJSA-N -1 1 390.398 1.763 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@@H]1CCC(F)(F)C1 ZINC000822459207 606953528 /nfs/dbraw/zinc/95/35/28/606953528.db2.gz ORIYYCOBBZJUAI-LLVKDONJSA-N -1 1 390.398 1.763 20 0 GDADMM CN(Cc1cc(Br)cn1C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821607624 606956471 /nfs/dbraw/zinc/95/64/71/606956471.db2.gz XATMOHSGVFQQNR-UHFFFAOYSA-N -1 1 394.237 1.365 20 0 GDADMM CN(Cc1cc(Br)cn1C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821607624 606956472 /nfs/dbraw/zinc/95/64/72/606956472.db2.gz XATMOHSGVFQQNR-UHFFFAOYSA-N -1 1 394.237 1.365 20 0 GDADMM CC(=O)N1CCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)[C@H](C)C1 ZINC000819796978 606965630 /nfs/dbraw/zinc/96/56/30/606965630.db2.gz RBTFKHKVNXGGOA-LLVKDONJSA-N -1 1 383.412 1.252 20 0 GDADMM CC(=O)N1CCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)[C@H](C)C1 ZINC000819796978 606965632 /nfs/dbraw/zinc/96/56/32/606965632.db2.gz RBTFKHKVNXGGOA-LLVKDONJSA-N -1 1 383.412 1.252 20 0 GDADMM Cc1cc(-c2noc(Cn3nc(C)c(C)c(-c4nn[n-]n4)c3=O)n2)ccc1F ZINC000822153801 606980895 /nfs/dbraw/zinc/98/08/95/606980895.db2.gz PMGVXGLFEGHSSQ-UHFFFAOYSA-N -1 1 382.359 1.586 20 0 GDADMM CCc1nnc(Sc2nnc(C(F)(F)F)n2N)c(-c2nn[n-]n2)c1CC ZINC000821547805 607027587 /nfs/dbraw/zinc/02/75/87/607027587.db2.gz CGIOHLKXCUDFNX-UHFFFAOYSA-N -1 1 386.367 1.257 20 0 GDADMM Cc1cc(Oc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)ccc1Br ZINC000822211528 607043704 /nfs/dbraw/zinc/04/37/04/607043704.db2.gz CSENYOVWRASZAA-UHFFFAOYSA-N -1 1 393.201 1.127 20 0 GDADMM CC(C)(C)c1ccc(C(=O)NCC(=O)Nc2ncc(-c3nnn[n-]3)s2)cc1 ZINC000819959047 607102445 /nfs/dbraw/zinc/10/24/45/607102445.db2.gz WHMVRWDNDCUKHT-UHFFFAOYSA-N -1 1 385.453 1.989 20 0 GDADMM CC(C)(C)c1ccc(C(=O)NCC(=O)Nc2ncc(-c3nn[n-]n3)s2)cc1 ZINC000819959047 607102447 /nfs/dbraw/zinc/10/24/47/607102447.db2.gz WHMVRWDNDCUKHT-UHFFFAOYSA-N -1 1 385.453 1.989 20 0 GDADMM CSCC[C@@H](NC(=O)c1ccco1)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000821962398 607108058 /nfs/dbraw/zinc/10/80/58/607108058.db2.gz PMIYAWKEGWLBDG-MRVPVSSYSA-N -1 1 393.454 1.406 20 0 GDADMM CSCC[C@@H](NC(=O)c1ccco1)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000821962398 607108060 /nfs/dbraw/zinc/10/80/60/607108060.db2.gz PMIYAWKEGWLBDG-MRVPVSSYSA-N -1 1 393.454 1.406 20 0 GDADMM Cc1oc(NC(=O)CN2CCO[C@H](c3cccc(O)c3)C2)c(-c2nn[n-]n2)c1C ZINC000822547616 607109052 /nfs/dbraw/zinc/10/90/52/607109052.db2.gz ADDDLAULIZAMOO-HNNXBMFYSA-N -1 1 398.423 1.794 20 0 GDADMM COC(=O)[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1cc(OC)cc(OC)c1 ZINC000821648285 607111273 /nfs/dbraw/zinc/11/12/73/607111273.db2.gz GCMHEECLJZNLEZ-HNNXBMFYSA-N -1 1 399.363 1.350 20 0 GDADMM COC(=O)[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1cc(OC)cc(OC)c1 ZINC000821648285 607111274 /nfs/dbraw/zinc/11/12/74/607111274.db2.gz GCMHEECLJZNLEZ-HNNXBMFYSA-N -1 1 399.363 1.350 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2nnc(-c3ccccc3)s2)n1 ZINC000822620269 607138104 /nfs/dbraw/zinc/13/81/04/607138104.db2.gz PEUWNKRSDPWAOT-UHFFFAOYSA-N -1 1 382.413 1.440 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2nnc(-c3ccccc3)s2)n1 ZINC000822620269 607138105 /nfs/dbraw/zinc/13/81/05/607138105.db2.gz PEUWNKRSDPWAOT-UHFFFAOYSA-N -1 1 382.413 1.440 20 0 GDADMM Nc1c(-c2nn[nH]n2)cnn1-c1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000822903677 607160460 /nfs/dbraw/zinc/16/04/60/607160460.db2.gz NRPPBZBFAUOIKK-UHFFFAOYSA-N -1 1 380.343 1.732 20 0 GDADMM O=C(NCc1ccc(O)c(Br)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823254494 607161851 /nfs/dbraw/zinc/16/18/51/607161851.db2.gz WJIZVPPNFPYPJP-UHFFFAOYSA-N -1 1 375.186 1.660 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)Nc2cccc(-n3ccnn3)c2)cc1-c1nn[n-]n1 ZINC000821978160 607168948 /nfs/dbraw/zinc/16/89/48/607168948.db2.gz KBFPILWPBGSVTP-UHFFFAOYSA-N -1 1 395.408 1.522 20 0 GDADMM CN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(Oc2ccccc2)cc1 ZINC000821571917 607212019 /nfs/dbraw/zinc/21/20/19/607212019.db2.gz KSHLSIZIHNSRNE-UHFFFAOYSA-N -1 1 376.380 1.914 20 0 GDADMM CC(C)(CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1cccc(C(F)(F)F)c1 ZINC000819980658 607213133 /nfs/dbraw/zinc/21/31/33/607213133.db2.gz HBYNIHXQOXTKNS-UHFFFAOYSA-N -1 1 394.361 1.571 20 0 GDADMM COc1ccccc1SC[C@H](C)CNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821903973 607214677 /nfs/dbraw/zinc/21/46/77/607214677.db2.gz PCYAPZNDXHKHFL-LLVKDONJSA-N -1 1 388.457 1.011 20 0 GDADMM Cc1ccc(C)c([C@@H]2CN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)[C@H](C)CO2)c1 ZINC000822232114 607219621 /nfs/dbraw/zinc/21/96/21/607219621.db2.gz UJQYOTWTJQDMSK-HIFRSBDPSA-N -1 1 382.428 1.064 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1c(-c2ccco2)nc2ccccn21 ZINC000823131793 607239589 /nfs/dbraw/zinc/23/95/89/607239589.db2.gz OYWWGHJJYHEBGC-UHFFFAOYSA-N -1 1 376.340 1.005 20 0 GDADMM O=C(N[C@@H]1CCOC1)C1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000826431593 607774819 /nfs/dbraw/zinc/77/48/19/607774819.db2.gz GICZJVZZBFCARN-GFCCVEGCSA-N -1 1 399.411 1.236 20 0 GDADMM Cc1oc(NC(=O)COC(=O)c2ccc3c(c2)ncn3C)c(-c2nn[n-]n2)c1C ZINC000826342537 607805888 /nfs/dbraw/zinc/80/58/88/607805888.db2.gz OZCLIBSZNOJKEV-UHFFFAOYSA-N -1 1 395.379 1.759 20 0 GDADMM CCc1nn(C)c(CC)c1CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825760425 607852540 /nfs/dbraw/zinc/85/25/40/607852540.db2.gz ZJKGNFFAHNLWHX-UHFFFAOYSA-N -1 1 393.448 1.343 20 0 GDADMM NC(=O)CCN(Cc1ccccc1)C(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000826391540 607863813 /nfs/dbraw/zinc/86/38/13/607863813.db2.gz PLIBXISKKSQDDE-UHFFFAOYSA-N -1 1 398.398 1.289 20 0 GDADMM NC(=O)CCN(Cc1ccccc1)C(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000826391540 607863814 /nfs/dbraw/zinc/86/38/14/607863814.db2.gz PLIBXISKKSQDDE-UHFFFAOYSA-N -1 1 398.398 1.289 20 0 GDADMM O=S(=O)(NC[C@H](CO)Cc1ccccc1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826489465 607906485 /nfs/dbraw/zinc/90/64/85/607906485.db2.gz QJGFWFZUBDNRSW-CYBMUJFWSA-N -1 1 391.428 1.135 20 0 GDADMM O=S(=O)(NC[C@H](CO)Cc1ccccc1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826489465 607906486 /nfs/dbraw/zinc/90/64/86/607906486.db2.gz QJGFWFZUBDNRSW-CYBMUJFWSA-N -1 1 391.428 1.135 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N(C)[C@H]1CCSC1 ZINC000826327587 607918287 /nfs/dbraw/zinc/91/82/87/607918287.db2.gz NCFXDHGRKYZGCZ-LBPRGKRZSA-N -1 1 386.485 1.423 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N(C)[C@H]1CCSC1 ZINC000826327587 607918288 /nfs/dbraw/zinc/91/82/88/607918288.db2.gz NCFXDHGRKYZGCZ-LBPRGKRZSA-N -1 1 386.485 1.423 20 0 GDADMM CC(C)(C)c1nc(-c2nn[n-]n2)c(NNC(=S)NC[C@@H]2CCCCO2)o1 ZINC000824141494 607967069 /nfs/dbraw/zinc/96/70/69/607967069.db2.gz IEAFXTZKLHHEKK-VIFPVBQESA-N -1 1 380.478 1.512 20 0 GDADMM O=C(CN1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)Nc1ccccc1Cl ZINC000826411368 607988677 /nfs/dbraw/zinc/98/86/77/607988677.db2.gz WFAWJORIQUZIQA-UHFFFAOYSA-N -1 1 399.846 1.071 20 0 GDADMM O=C(CN1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)Nc1ccccc1Cl ZINC000826411368 607988678 /nfs/dbraw/zinc/98/86/78/607988678.db2.gz WFAWJORIQUZIQA-UHFFFAOYSA-N -1 1 399.846 1.071 20 0 GDADMM CN1C(=O)CCc2cc(C(=O)Nc3nn(C(C)(C)C)cc3-c3nnn[n-]3)ccc21 ZINC000826011105 608005590 /nfs/dbraw/zinc/00/55/90/608005590.db2.gz XHMYKPBZUZTYLI-UHFFFAOYSA-N -1 1 394.439 1.980 20 0 GDADMM CN1C(=O)CCc2cc(C(=O)Nc3nn(C(C)(C)C)cc3-c3nn[n-]n3)ccc21 ZINC000826011105 608005591 /nfs/dbraw/zinc/00/55/91/608005591.db2.gz XHMYKPBZUZTYLI-UHFFFAOYSA-N -1 1 394.439 1.980 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1noc(Cc2ccccc2)n1 ZINC000825937664 608035688 /nfs/dbraw/zinc/03/56/88/608035688.db2.gz GTKPOPMZOGMMHU-UHFFFAOYSA-N -1 1 394.443 1.210 20 0 GDADMM O=S(=O)(N[C@@H]1CCc2nccn2C1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826489549 608055967 /nfs/dbraw/zinc/05/59/67/608055967.db2.gz UBGBEVQEBOQRBL-SECBINFHSA-N -1 1 379.833 1.010 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OC[C@@H]1CC[C@H](C)O1 ZINC000826328463 608076614 /nfs/dbraw/zinc/07/66/14/608076614.db2.gz RVGKUWYEHJHMAX-GWCFXTLKSA-N -1 1 385.428 1.570 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OC[C@@H]1CC[C@H](C)O1 ZINC000826328463 608076615 /nfs/dbraw/zinc/07/66/15/608076615.db2.gz RVGKUWYEHJHMAX-GWCFXTLKSA-N -1 1 385.428 1.570 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CCCOc2cccc(C(C)(C)C)c2)c1=O ZINC000826356106 608096354 /nfs/dbraw/zinc/09/63/54/608096354.db2.gz ADCCINZWAUCLMA-UHFFFAOYSA-N -1 1 384.440 1.494 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H](C)C(=O)OCC(C)C ZINC000826233254 608120865 /nfs/dbraw/zinc/12/08/65/608120865.db2.gz ZYKOCKWYGDXLTC-LBPRGKRZSA-N -1 1 390.444 1.221 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCC[C@@H]1CCOC1 ZINC000826328099 608133032 /nfs/dbraw/zinc/13/30/32/608133032.db2.gz GHEBZTSTETXNEX-CYBMUJFWSA-N -1 1 384.444 1.002 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCC[C@@H]1CCOC1 ZINC000826328099 608133033 /nfs/dbraw/zinc/13/30/33/608133033.db2.gz GHEBZTSTETXNEX-CYBMUJFWSA-N -1 1 384.444 1.002 20 0 GDADMM C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC000824763225 608173414 /nfs/dbraw/zinc/17/34/14/608173414.db2.gz LOULBXPWKNMQTK-ZETCQYMHSA-N -1 1 399.889 1.821 20 0 GDADMM C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC000824763225 608173415 /nfs/dbraw/zinc/17/34/15/608173415.db2.gz LOULBXPWKNMQTK-ZETCQYMHSA-N -1 1 399.889 1.821 20 0 GDADMM O=C([C@H](O)c1ccccc1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000822912428 608192862 /nfs/dbraw/zinc/19/28/62/608192862.db2.gz ZVNWJWAIXXDWAJ-OAHLLOKOSA-N -1 1 395.423 1.114 20 0 GDADMM CC(C)Oc1cccc(CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000824333363 608210851 /nfs/dbraw/zinc/21/08/51/608210851.db2.gz IKGKHAMDLYHGGQ-UHFFFAOYSA-N -1 1 398.471 1.593 20 0 GDADMM CC(C)Oc1cccc(CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000824333363 608210853 /nfs/dbraw/zinc/21/08/53/608210853.db2.gz IKGKHAMDLYHGGQ-UHFFFAOYSA-N -1 1 398.471 1.593 20 0 GDADMM COc1cccc([C@@H]2C[C@H]2C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000826215725 608212192 /nfs/dbraw/zinc/21/21/92/608212192.db2.gz XGRZTIUXJNUGQK-UONOGXRCSA-N -1 1 396.455 1.375 20 0 GDADMM COc1cccc([C@@H]2C[C@H]2C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000826215725 608212194 /nfs/dbraw/zinc/21/21/94/608212194.db2.gz XGRZTIUXJNUGQK-UONOGXRCSA-N -1 1 396.455 1.375 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc(=O)n(-c2ccccc2F)n1 ZINC000826450947 608245025 /nfs/dbraw/zinc/24/50/25/608245025.db2.gz JRNQCYZBTFHNNJ-UHFFFAOYSA-N -1 1 393.338 1.510 20 0 GDADMM CC(C)(C)OC(=O)CN1CCC[C@H]1COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824100686 608247617 /nfs/dbraw/zinc/24/76/17/608247617.db2.gz VQSWGNPRZNHIHX-ZDUSSCGKSA-N -1 1 388.428 1.225 20 0 GDADMM CC(C)(C)OC(=O)CN1CCC[C@H]1COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824100686 608247619 /nfs/dbraw/zinc/24/76/19/608247619.db2.gz VQSWGNPRZNHIHX-ZDUSSCGKSA-N -1 1 388.428 1.225 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCO[C@@H](C(C)C)C2)cc1-c1nn[n-]n1 ZINC000826229957 608280309 /nfs/dbraw/zinc/28/03/09/608280309.db2.gz XXGHIFOKDZMMPZ-BXKDBHETSA-N -1 1 378.458 1.623 20 0 GDADMM CCOC(=O)CN(Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1)C1CC1 ZINC000825512020 608311429 /nfs/dbraw/zinc/31/14/29/608311429.db2.gz PETSNYKWHCGKOC-UHFFFAOYSA-N -1 1 381.440 1.888 20 0 GDADMM COc1ccc(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)cc1 ZINC000826196251 608339221 /nfs/dbraw/zinc/33/92/21/608339221.db2.gz VQJFHOPWHDFWNL-UHFFFAOYSA-N -1 1 398.427 1.082 20 0 GDADMM COc1ccc(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)cc1 ZINC000826196251 608339223 /nfs/dbraw/zinc/33/92/23/608339223.db2.gz VQJFHOPWHDFWNL-UHFFFAOYSA-N -1 1 398.427 1.082 20 0 GDADMM CN(Cc1ccccc1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825981607 608340627 /nfs/dbraw/zinc/34/06/27/608340627.db2.gz VKIKROOOWVVANG-UHFFFAOYSA-N -1 1 382.428 1.415 20 0 GDADMM CN(Cc1ccccc1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825981607 608340629 /nfs/dbraw/zinc/34/06/29/608340629.db2.gz VKIKROOOWVVANG-UHFFFAOYSA-N -1 1 382.428 1.415 20 0 GDADMM CC(C)CC(C)(C)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824229118 608355790 /nfs/dbraw/zinc/35/57/90/608355790.db2.gz NQDLDQKNRWLXAZ-UHFFFAOYSA-N -1 1 390.492 1.945 20 0 GDADMM CC(C)CC(C)(C)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824229118 608355792 /nfs/dbraw/zinc/35/57/92/608355792.db2.gz NQDLDQKNRWLXAZ-UHFFFAOYSA-N -1 1 390.492 1.945 20 0 GDADMM CN(CC(=O)Nc1ccccc1Br)c1ccc(-c2nnn[n-]2)nn1 ZINC000825892872 608389803 /nfs/dbraw/zinc/38/98/03/608389803.db2.gz WXWNEPOAEAXQBV-UHFFFAOYSA-N -1 1 389.217 1.494 20 0 GDADMM CN(CC(=O)Nc1ccccc1Br)c1ccc(-c2nn[n-]n2)nn1 ZINC000825892872 608389805 /nfs/dbraw/zinc/38/98/05/608389805.db2.gz WXWNEPOAEAXQBV-UHFFFAOYSA-N -1 1 389.217 1.494 20 0 GDADMM CCOc1ccccc1C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000825653563 608399886 /nfs/dbraw/zinc/39/98/86/608399886.db2.gz FFPVKKXSTJOYFX-UHFFFAOYSA-N -1 1 380.412 1.018 20 0 GDADMM CCOc1ccccc1C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000825653563 608399888 /nfs/dbraw/zinc/39/98/88/608399888.db2.gz FFPVKKXSTJOYFX-UHFFFAOYSA-N -1 1 380.412 1.018 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1nc2c(s1)CCC2 ZINC000825929825 608408348 /nfs/dbraw/zinc/40/83/48/608408348.db2.gz KTXPNNWVIMDYNE-UHFFFAOYSA-N -1 1 388.461 1.214 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1nc2c(s1)CCC2 ZINC000825929825 608408349 /nfs/dbraw/zinc/40/83/49/608408349.db2.gz KTXPNNWVIMDYNE-UHFFFAOYSA-N -1 1 388.461 1.214 20 0 GDADMM c1ccc(-c2noc(C3CCN(c4ccc(-c5nnn[n-]5)nn4)CC3)n2)nc1 ZINC000826519862 608411397 /nfs/dbraw/zinc/41/13/97/608411397.db2.gz RINSHEOYULKOGQ-UHFFFAOYSA-N -1 1 376.384 1.486 20 0 GDADMM c1ccc(-c2noc(C3CCN(c4ccc(-c5nn[n-]n5)nn4)CC3)n2)nc1 ZINC000826519862 608411399 /nfs/dbraw/zinc/41/13/99/608411399.db2.gz RINSHEOYULKOGQ-UHFFFAOYSA-N -1 1 376.384 1.486 20 0 GDADMM COc1cc(OC)cc(N2CC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC000826181417 608431425 /nfs/dbraw/zinc/43/14/25/608431425.db2.gz YOGCZMMXCNSDHF-LBPRGKRZSA-N -1 1 382.428 1.612 20 0 GDADMM COc1cc(OC)cc(N2CC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC000826181417 608431426 /nfs/dbraw/zinc/43/14/26/608431426.db2.gz YOGCZMMXCNSDHF-LBPRGKRZSA-N -1 1 382.428 1.612 20 0 GDADMM NC(=O)CCC1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000826391085 608449001 /nfs/dbraw/zinc/44/90/01/608449001.db2.gz WLTJZFQOHALMDJ-UHFFFAOYSA-N -1 1 398.876 1.186 20 0 GDADMM COc1ccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1F ZINC000826209912 608549296 /nfs/dbraw/zinc/54/92/96/608549296.db2.gz WEYWGHAKSZGGAO-UHFFFAOYSA-N -1 1 389.395 1.416 20 0 GDADMM COc1ccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1F ZINC000826209912 608549298 /nfs/dbraw/zinc/54/92/98/608549298.db2.gz WEYWGHAKSZGGAO-UHFFFAOYSA-N -1 1 389.395 1.416 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Cc1coc2cc(F)ccc12 ZINC000825929884 608558101 /nfs/dbraw/zinc/55/81/01/608558101.db2.gz NPDGZKFETXSGCC-UHFFFAOYSA-N -1 1 398.402 1.691 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Cc1coc2cc(F)ccc12 ZINC000825929884 608558103 /nfs/dbraw/zinc/55/81/03/608558103.db2.gz NPDGZKFETXSGCC-UHFFFAOYSA-N -1 1 398.402 1.691 20 0 GDADMM CN1Cc2cc(OS(=O)(=O)c3ccc(F)c(-c4nn[n-]n4)c3)ccc2C1=O ZINC000826044632 608562335 /nfs/dbraw/zinc/56/23/35/608562335.db2.gz ILIKJIYIZZCPTR-UHFFFAOYSA-N -1 1 389.368 1.359 20 0 GDADMM O=C(CN1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1)Nc1ccccc1F ZINC000826410924 608850956 /nfs/dbraw/zinc/85/09/56/608850956.db2.gz DKIUZKJQXAPLEL-UHFFFAOYSA-N -1 1 385.403 1.355 20 0 GDADMM O=C(CN1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1)Nc1ccccc1F ZINC000826410924 608850959 /nfs/dbraw/zinc/85/09/59/608850959.db2.gz DKIUZKJQXAPLEL-UHFFFAOYSA-N -1 1 385.403 1.355 20 0 GDADMM C[C@@H]1OCC[C@H]1C(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000825012979 608885266 /nfs/dbraw/zinc/88/52/66/608885266.db2.gz MWKYRSNKPOOYRS-NWDGAFQWSA-N -1 1 399.411 1.188 20 0 GDADMM COc1cc(-c2noc(Cn3ccnc3-c3nnn[n-]3)n2)cc(OC)c1OC ZINC000826177005 608894853 /nfs/dbraw/zinc/89/48/53/608894853.db2.gz NQWGRFGKXRYJQG-UHFFFAOYSA-N -1 1 384.356 1.187 20 0 GDADMM COc1cc(-c2noc(Cn3ccnc3-c3nn[n-]n3)n2)cc(OC)c1OC ZINC000826177005 608894855 /nfs/dbraw/zinc/89/48/55/608894855.db2.gz NQWGRFGKXRYJQG-UHFFFAOYSA-N -1 1 384.356 1.187 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000826340871 609177707 /nfs/dbraw/zinc/17/77/07/609177707.db2.gz NWMNCONFRIBGNT-LBPRGKRZSA-N -1 1 395.423 1.300 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000826340871 609177710 /nfs/dbraw/zinc/17/77/10/609177710.db2.gz NWMNCONFRIBGNT-LBPRGKRZSA-N -1 1 395.423 1.300 20 0 GDADMM CC[C@@H](C)Oc1cc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)ccn1 ZINC000825075595 609181746 /nfs/dbraw/zinc/18/17/46/609181746.db2.gz QLDOQAIXAIUVNN-LLVKDONJSA-N -1 1 389.441 1.313 20 0 GDADMM CC[C@@H](C)Oc1cc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)ccn1 ZINC000825075595 609181748 /nfs/dbraw/zinc/18/17/48/609181748.db2.gz QLDOQAIXAIUVNN-LLVKDONJSA-N -1 1 389.441 1.313 20 0 GDADMM CC(=O)N1CCC[C@H](C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1 ZINC000823975501 609286406 /nfs/dbraw/zinc/28/64/06/609286406.db2.gz YNRCFRUSIJSELY-LBPRGKRZSA-N -1 1 398.402 1.389 20 0 GDADMM CCOCCO[C@H](C)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825599659 609292595 /nfs/dbraw/zinc/29/25/95/609292595.db2.gz OQJKQFKDTHVKAQ-LLVKDONJSA-N -1 1 389.391 1.572 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCCCCC(C)(C)C ZINC000825930063 609302470 /nfs/dbraw/zinc/30/24/70/609302470.db2.gz OZSWRMPCCFXLKB-UHFFFAOYSA-N -1 1 377.497 1.962 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCCCCC(C)(C)C ZINC000825930063 609302472 /nfs/dbraw/zinc/30/24/72/609302472.db2.gz OZSWRMPCCFXLKB-UHFFFAOYSA-N -1 1 377.497 1.962 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NC/C=C\c1ccccc1 ZINC000825929814 609302589 /nfs/dbraw/zinc/30/25/89/609302589.db2.gz KEPBGXSQWONVJS-UITAMQMPSA-N -1 1 381.444 1.459 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NC/C=C\c1ccccc1 ZINC000825929814 609302592 /nfs/dbraw/zinc/30/25/92/609302592.db2.gz KEPBGXSQWONVJS-UITAMQMPSA-N -1 1 381.444 1.459 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCCCOC1CCCC1 ZINC000825929574 609302881 /nfs/dbraw/zinc/30/28/81/609302881.db2.gz IQMSXWMDIIMBRX-UHFFFAOYSA-N -1 1 391.480 1.095 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCCCOC1CCCC1 ZINC000825929574 609302882 /nfs/dbraw/zinc/30/28/82/609302882.db2.gz IQMSXWMDIIMBRX-UHFFFAOYSA-N -1 1 391.480 1.095 20 0 GDADMM Cc1noc(C)c1[C@@H](C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826338658 609303278 /nfs/dbraw/zinc/30/32/78/609303278.db2.gz CSGVCGBRNBHWKC-MRVPVSSYSA-N -1 1 388.436 1.112 20 0 GDADMM Cc1noc(C)c1[C@@H](C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826338658 609303280 /nfs/dbraw/zinc/30/32/80/609303280.db2.gz CSGVCGBRNBHWKC-MRVPVSSYSA-N -1 1 388.436 1.112 20 0 GDADMM CCOC(=O)NCCC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825522140 609311057 /nfs/dbraw/zinc/31/10/57/609311057.db2.gz BVIQCJIACUOORL-UHFFFAOYSA-N -1 1 388.363 1.266 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)[C@@H]1CCc2n[nH]cc2C1 ZINC000826458059 609313211 /nfs/dbraw/zinc/31/32/11/609313211.db2.gz ATSFKGWUGYGDNL-SNVBAGLBSA-N -1 1 393.386 1.658 20 0 GDADMM Cc1[nH]c(=O)ccc1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826327910 609313727 /nfs/dbraw/zinc/31/37/27/609313727.db2.gz ZEZGXXZLTRJXGL-UHFFFAOYSA-N -1 1 380.343 1.853 20 0 GDADMM CC[C@@H](C)N(C)C(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825068484 609353644 /nfs/dbraw/zinc/35/36/44/609353644.db2.gz SHQHLVLQAMXJOE-SNVBAGLBSA-N -1 1 386.391 1.387 20 0 GDADMM C[C@H](NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)[C@@H]1CCOC1 ZINC000824507093 609360403 /nfs/dbraw/zinc/36/04/03/609360403.db2.gz UCAPLRBNMCHVBT-WDEREUQCSA-N -1 1 386.391 1.738 20 0 GDADMM CC1(C)C[C@H]1CNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824796500 609365826 /nfs/dbraw/zinc/36/58/26/609365826.db2.gz PJTSTSUIXYTSEL-JTQLQIEISA-N -1 1 398.402 1.292 20 0 GDADMM CC[C@H]1CCCN1C(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825205788 609366109 /nfs/dbraw/zinc/36/61/09/609366109.db2.gz XOKWUDPWJBDPCJ-NSHDSACASA-N -1 1 398.402 1.531 20 0 GDADMM C[C@@H]1C[C@@H](C)N(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1 ZINC000824874270 609366127 /nfs/dbraw/zinc/36/61/27/609366127.db2.gz BQFZKGAEHQIAAY-GHMZBOCLSA-N -1 1 398.402 1.387 20 0 GDADMM CC[C@H](C)n1nc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1C ZINC000825076225 609392611 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/nfs/dbraw/zinc/00/97/44/660009744.db2.gz BUBARGGLBVPXOX-SWLSCSKDSA-N -1 1 399.285 1.785 20 0 GDADMM Cc1nc(C[NH+]2CCC(C(=O)NCc3cc(=O)[nH]c(=S)[nH]3)CC2)cs1 ZINC000911854086 660019419 /nfs/dbraw/zinc/01/94/19/660019419.db2.gz HBIANFXCFMSUNK-UHFFFAOYSA-N -1 1 379.511 1.764 20 0 GDADMM C[C@]1(c2cccc(Br)c2)C[C@@H]1C(=O)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913493802 660082535 /nfs/dbraw/zinc/08/25/35/660082535.db2.gz JHXMPBDOFXQJAX-XJKCOSOUSA-N -1 1 392.257 1.840 20 0 GDADMM O=C(CCOc1ccccc1Br)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913494608 660082799 /nfs/dbraw/zinc/08/27/99/660082799.db2.gz GUEUKPKHQQWNDO-NSHDSACASA-N -1 1 382.218 1.331 20 0 GDADMM C[C@H](Oc1ccccc1Br)C(=O)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913494546 660082815 /nfs/dbraw/zinc/08/28/15/660082815.db2.gz FBTFFHAFZSSTMR-ONGXEEELSA-N -1 1 382.218 1.330 20 0 GDADMM O=C(c1c[nH]c2cccc(Br)c21)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913496187 660083401 /nfs/dbraw/zinc/08/34/01/660083401.db2.gz VAEVAYQXYZQMLA-LLVKDONJSA-N -1 1 377.202 1.657 20 0 GDADMM COc1cc(Br)ccc1CCC(=O)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913497011 660083638 /nfs/dbraw/zinc/08/36/38/660083638.db2.gz GUUXUTBYXBSXTG-GFCCVEGCSA-N -1 1 396.245 1.504 20 0 GDADMM O=C(c1cc(Cl)c(Br)cc1F)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913499594 660084234 /nfs/dbraw/zinc/08/42/34/660084234.db2.gz WPAJZOSQEUBVAX-SNVBAGLBSA-N -1 1 390.600 1.968 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-]Cc2cnn(C)c2)c1F ZINC000913959275 660107539 /nfs/dbraw/zinc/10/75/39/660107539.db2.gz GKHYBVBENGYHSW-UHFFFAOYSA-N -1 1 378.223 1.809 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-]Cc2noc(C)n2)c1F ZINC000914184867 660124714 /nfs/dbraw/zinc/12/47/14/660124714.db2.gz NOPBUBVXTWCRHL-UHFFFAOYSA-N -1 1 380.195 1.767 20 0 GDADMM COC(=O)[C@H](C)C[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000914254908 660132380 /nfs/dbraw/zinc/13/23/80/660132380.db2.gz UVZCCARNWSYWMH-SSDOTTSWSA-N -1 1 384.223 1.684 20 0 GDADMM O=C([N-]c1nn2cnnc2s1)c1cn(-c2ccccc2Br)nn1 ZINC000914834433 660155514 /nfs/dbraw/zinc/15/55/14/660155514.db2.gz VJYVVELOPOTSRL-UHFFFAOYSA-N -1 1 391.214 1.781 20 0 GDADMM COc1nn2cc(Br)cnc2c1S(=O)(=O)[N-][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000915059232 660160121 /nfs/dbraw/zinc/16/01/21/660160121.db2.gz VWJGJBGXCQIFPK-ILWJIGKKSA-N -1 1 387.259 1.577 20 0 GDADMM CCN(CC)S(=O)(=O)N1CCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000144330065 677676665 /nfs/dbraw/zinc/67/66/65/677676665.db2.gz IJWQVIPPTOMRIS-UHFFFAOYSA-N -1 1 375.878 1.390 20 0 GDADMM COC[C@](C)(O)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000382564255 677677202 /nfs/dbraw/zinc/67/72/02/677677202.db2.gz NAYJMZGVMHVIBM-LLVKDONJSA-N -1 1 383.220 1.033 20 0 GDADMM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC000798148344 677679267 /nfs/dbraw/zinc/67/92/67/677679267.db2.gz XQSPUDHSFVNTPQ-VIFPVBQESA-N -1 1 386.239 1.784 20 0 GDADMM CN1CCN(c2cc(CNC(=O)NC3(C(=O)[O-])CCCCC3)ccn2)CC1 ZINC000780430528 939120204 /nfs/dbraw/zinc/12/02/04/939120204.db2.gz CZKAPUJGWXZHHK-UHFFFAOYSA-N -1 1 375.473 1.420 20 0 GDADMM CN(C)[C@H](CNC(=O)N[C@@]1(C(=O)[O-])CCOC1)c1cccc(C(F)(F)F)c1 ZINC000909125125 939383347 /nfs/dbraw/zinc/38/33/47/939383347.db2.gz BLALSKJVMDXMCC-CJNGLKHVSA-N -1 1 389.374 1.851 20 0 GDADMM Cc1cc([C@@H](NC(=O)c2cccc(N3CCN(C)CC3)n2)C(=O)[O-])ccc1F ZINC000909797248 939735732 /nfs/dbraw/zinc/73/57/32/939735732.db2.gz OVOXSNZTFQDBBV-GOSISDBHSA-N -1 1 386.427 1.837 20 0 GDADMM COc1cccc([C@H](NC(=O)c2cccc(CN3CCN(C)CC3)c2)C(=O)[O-])c1 ZINC000909946177 939745502 /nfs/dbraw/zinc/74/55/02/939745502.db2.gz UWZHWQFEPDHPIO-FQEVSTJZSA-N -1 1 397.475 1.998 20 0 GDADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)NC[C@H]1CC(=O)c2ccccc2O1 ZINC001571258066 945347515 /nfs/dbraw/zinc/34/75/15/945347515.db2.gz MDCYUCOCTGOESC-SECBINFHSA-N -1 1 385.409 1.156 20 0 GDADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)NC[C@H]1CC(=O)c2ccccc2O1 ZINC001571258066 945347523 /nfs/dbraw/zinc/34/75/23/945347523.db2.gz MDCYUCOCTGOESC-SECBINFHSA-N -1 1 385.409 1.156 20 0 GDADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)N(Cc1ccccc1F)C1CCC1 ZINC001571258594 945358651 /nfs/dbraw/zinc/35/86/51/945358651.db2.gz WYBDWIGKVZEOFC-UHFFFAOYSA-N -1 1 385.407 1.362 20 0 GDADMM Cc1csc(C(=O)[O-])c1S(=O)(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000322910325 970944742 /nfs/dbraw/zinc/94/47/42/970944742.db2.gz SFNQODPBDZVBOM-UHFFFAOYSA-N -1 1 376.437 1.203 20 0 GDADMM CC[C@H]1CN(C(=O)c2nccs2)CC[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571261159 945422915 /nfs/dbraw/zinc/42/29/15/945422915.db2.gz BFHWWQRZVAHGRV-QWRGUYRKSA-N -1 1 385.457 1.466 20 0 GDADMM CC[C@H]1CN(C(=O)c2nccs2)CC[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571261159 945422918 /nfs/dbraw/zinc/42/29/18/945422918.db2.gz BFHWWQRZVAHGRV-QWRGUYRKSA-N -1 1 385.457 1.466 20 0 GDADMM CCc1nc(NC2CC(CNC(=O)c3cscn3)C2)cc(-c2nnn[n-]2)n1 ZINC001571261120 945423451 /nfs/dbraw/zinc/42/34/51/945423451.db2.gz AMKMQZCBRYLSFH-UHFFFAOYSA-N -1 1 385.457 1.296 20 0 GDADMM CCc1nc(NC2CC(CNC(=O)c3cscn3)C2)cc(-c2nn[n-]n2)n1 ZINC001571261120 945423459 /nfs/dbraw/zinc/42/34/59/945423459.db2.gz AMKMQZCBRYLSFH-UHFFFAOYSA-N -1 1 385.457 1.296 20 0 GDADMM CCc1ncc(C(=O)N2C[C@H](Nc3nccnc3-c3nnn[n-]3)[C@@H](C)C2)s1 ZINC001571262546 945439612 /nfs/dbraw/zinc/43/96/12/945439612.db2.gz ULVALMHMGVDVQO-UWVGGRQHSA-N -1 1 385.457 1.248 20 0 GDADMM CCc1ncc(C(=O)N2C[C@H](Nc3nccnc3-c3nn[n-]n3)[C@@H](C)C2)s1 ZINC001571262546 945439617 /nfs/dbraw/zinc/43/96/17/945439617.db2.gz ULVALMHMGVDVQO-UWVGGRQHSA-N -1 1 385.457 1.248 20 0 GDADMM CCc1ncsc1C(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C[C@@H]1C ZINC001571262786 945441081 /nfs/dbraw/zinc/44/10/81/945441081.db2.gz XXBMRLJDFYLZGO-VHSXEESVSA-N -1 1 385.457 1.391 20 0 GDADMM CCc1ncsc1C(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C[C@@H]1C ZINC001571262786 945441086 /nfs/dbraw/zinc/44/10/86/945441086.db2.gz XXBMRLJDFYLZGO-VHSXEESVSA-N -1 1 385.457 1.391 20 0 GDADMM Cc1nscc1C(=O)N1CCC[C@H]1CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001571263283 945456189 /nfs/dbraw/zinc/45/61/89/945456189.db2.gz LWPRJXIOMWYNDW-NSHDSACASA-N -1 1 385.457 1.163 20 0 GDADMM Cc1nscc1C(=O)N1CCC[C@H]1CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001571263283 945456193 /nfs/dbraw/zinc/45/61/93/945456193.db2.gz LWPRJXIOMWYNDW-NSHDSACASA-N -1 1 385.457 1.163 20 0 GDADMM Cc1nsc(C)c1C(=O)N1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C[C@@H]1C ZINC001571263873 945469914 /nfs/dbraw/zinc/46/99/14/945469914.db2.gz YTJGZIXBRJIQJX-KWQFWETISA-N -1 1 385.457 1.445 20 0 GDADMM Cc1nsc(C)c1C(=O)N1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C[C@@H]1C ZINC001571263873 945469917 /nfs/dbraw/zinc/46/99/17/945469917.db2.gz YTJGZIXBRJIQJX-KWQFWETISA-N -1 1 385.457 1.445 20 0 GDADMM Cc1nsc(C)c1C(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C[C@@H]1C ZINC001571263871 945470067 /nfs/dbraw/zinc/47/00/67/945470067.db2.gz YTJGZIXBRJIQJX-GZMMTYOYSA-N -1 1 385.457 1.445 20 0 GDADMM Cc1nsc(C)c1C(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C[C@@H]1C ZINC001571263871 945470072 /nfs/dbraw/zinc/47/00/72/945470072.db2.gz YTJGZIXBRJIQJX-GZMMTYOYSA-N -1 1 385.457 1.445 20 0 GDADMM Cc1nsc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)c1-c1nn[n-]n1 ZINC001571264949 945495585 /nfs/dbraw/zinc/49/55/85/945495585.db2.gz BGTNLDRHOPTEFK-XOBFJNJYSA-N -1 1 385.497 1.857 20 0 GDADMM CO[C@H](C)C(=O)N1C[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C(C)(C)C1 ZINC001571265477 945511679 /nfs/dbraw/zinc/51/16/79/945511679.db2.gz KWIWWKAETQSCEY-HTQZYQBOSA-N -1 1 385.881 1.660 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cncc(Cl)c1 ZINC001571265647 945517156 /nfs/dbraw/zinc/51/71/56/945517156.db2.gz NSLABNFMTZAJLJ-LBPRGKRZSA-N -1 1 385.819 1.104 20 0 GDADMM CN(C)C(=O)c1ccc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)cc1Cl ZINC001571266098 945531466 /nfs/dbraw/zinc/53/14/66/945531466.db2.gz WDDKZBVFNOMCNX-UHFFFAOYSA-N -1 1 385.815 1.798 20 0 GDADMM CN(C)C(=O)c1ccc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)cc1Cl ZINC001571266098 945531477 /nfs/dbraw/zinc/53/14/77/945531477.db2.gz WDDKZBVFNOMCNX-UHFFFAOYSA-N -1 1 385.815 1.798 20 0 GDADMM C[C@@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)c1cccc(F)c1F ZINC001571266873 945555308 /nfs/dbraw/zinc/55/53/08/945555308.db2.gz ATKBTKJTCIMPOO-ZJUUUORDSA-N -1 1 386.366 1.072 20 0 GDADMM Cc1cc(F)c(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)CC2)cc1F ZINC001571267029 945558127 /nfs/dbraw/zinc/55/81/27/945558127.db2.gz GTYKOSQKRQDNBA-UHFFFAOYSA-N -1 1 386.366 1.206 20 0 GDADMM Cc1cc(F)c(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)CC2)cc1F ZINC001571267029 945558142 /nfs/dbraw/zinc/55/81/42/945558142.db2.gz GTYKOSQKRQDNBA-UHFFFAOYSA-N -1 1 386.366 1.206 20 0 GDADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(F)c(F)c1 ZINC001571267017 945558839 /nfs/dbraw/zinc/55/88/39/945558839.db2.gz GFSGXWKZNUQUFC-NOZJJQNGSA-N -1 1 386.366 1.072 20 0 GDADMM CCC(CC)C(=O)N1CCC(NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC1 ZINC000820892955 945584924 /nfs/dbraw/zinc/58/49/24/945584924.db2.gz HHRUMQWCWQYPFW-UHFFFAOYSA-N -1 1 389.464 1.149 20 0 GDADMM CCC(CC)C(=O)N1CCC(NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC1 ZINC000820892955 945584930 /nfs/dbraw/zinc/58/49/30/945584930.db2.gz HHRUMQWCWQYPFW-UHFFFAOYSA-N -1 1 389.464 1.149 20 0 GDADMM O=C([C@H]1CCC[C@H](F)C1)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571269116 945612345 /nfs/dbraw/zinc/61/23/45/945612345.db2.gz PDRVPOGDMRLVTD-XDQVBPFNSA-N -1 1 386.435 1.365 20 0 GDADMM O=C([C@H]1CCC[C@H](F)C1)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571269116 945612349 /nfs/dbraw/zinc/61/23/49/945612349.db2.gz PDRVPOGDMRLVTD-XDQVBPFNSA-N -1 1 386.435 1.365 20 0 GDADMM COc1ccsc1C(=O)N[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571269964 945629041 /nfs/dbraw/zinc/62/90/41/945629041.db2.gz JBCOLABOGKFSOC-JTQLQIEISA-N -1 1 386.441 1.044 20 0 GDADMM COc1ccsc1C(=O)N[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571269964 945629047 /nfs/dbraw/zinc/62/90/47/945629047.db2.gz JBCOLABOGKFSOC-JTQLQIEISA-N -1 1 386.441 1.044 20 0 GDADMM CCc1c(C(=O)N2CCN(c3snc(C)c3-c3nn[n-]n3)CC2)ccn1C ZINC001571272029 945654099 /nfs/dbraw/zinc/65/40/99/945654099.db2.gz NFKQMFKWDRGICW-UHFFFAOYSA-N -1 1 386.485 1.495 20 0 GDADMM CCc1nc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CCC[C@@H]3OC)C2)cc(-c2nnn[n-]2)n1 ZINC001571272219 945658416 /nfs/dbraw/zinc/65/84/16/945658416.db2.gz BJBWXPGYMPFICY-CZXHOFHRSA-N -1 1 386.460 1.093 20 0 GDADMM CCc1nc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CCC[C@@H]3OC)C2)cc(-c2nn[n-]n2)n1 ZINC001571272219 945658422 /nfs/dbraw/zinc/65/84/22/945658422.db2.gz BJBWXPGYMPFICY-CZXHOFHRSA-N -1 1 386.460 1.093 20 0 GDADMM O=C(COC1CCCCC1)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571272424 945661300 /nfs/dbraw/zinc/66/13/00/945661300.db2.gz DLGZPTQHZXZJNG-ZDUSSCGKSA-N -1 1 386.460 1.266 20 0 GDADMM O=C(COC1CCCCC1)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571272424 945661306 /nfs/dbraw/zinc/66/13/06/945661306.db2.gz DLGZPTQHZXZJNG-ZDUSSCGKSA-N -1 1 386.460 1.266 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)C[C@H]3CCCCO3)C2)cc(-c2nnn[n-]2)n1 ZINC001571272809 945671656 /nfs/dbraw/zinc/67/16/56/945671656.db2.gz ITDOQVGEVYBCIM-CHWSQXEVSA-N -1 1 386.460 1.191 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)C[C@H]3CCCCO3)C2)cc(-c2nn[n-]n2)n1 ZINC001571272809 945671660 /nfs/dbraw/zinc/67/16/60/945671660.db2.gz ITDOQVGEVYBCIM-CHWSQXEVSA-N -1 1 386.460 1.191 20 0 GDADMM O=C(CC[C@H]1CCCCO1)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571273286 945684185 /nfs/dbraw/zinc/68/41/85/945684185.db2.gz URCDZFHCEYLCJP-ZIAGYGMSSA-N -1 1 386.460 1.409 20 0 GDADMM O=C(CC[C@H]1CCCCO1)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571273286 945684190 /nfs/dbraw/zinc/68/41/90/945684190.db2.gz URCDZFHCEYLCJP-ZIAGYGMSSA-N -1 1 386.460 1.409 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCN(C(=O)[C@@]3(C)CCCOC3)C2)n1 ZINC001571273484 945691137 /nfs/dbraw/zinc/69/11/37/945691137.db2.gz YFSZHPWCXAWBOH-ACJLOTCBSA-N -1 1 386.460 1.185 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCN(C(=O)[C@@]3(C)CCCOC3)C2)n1 ZINC001571273484 945691143 /nfs/dbraw/zinc/69/11/43/945691143.db2.gz YFSZHPWCXAWBOH-ACJLOTCBSA-N -1 1 386.460 1.185 20 0 GDADMM CC[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571278488 945752725 /nfs/dbraw/zinc/75/27/25/945752725.db2.gz OEELXFYBSSFQKX-DGAVXFQQSA-N -1 1 386.460 1.169 20 0 GDADMM CC[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571278488 945752733 /nfs/dbraw/zinc/75/27/33/945752733.db2.gz OEELXFYBSSFQKX-DGAVXFQQSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@H]1OCC[C@H]1C(=O)N1CCC(CCNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571278509 945753567 /nfs/dbraw/zinc/75/35/67/945753567.db2.gz OMCLIJRUPHKURN-TZMCWYRMSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H]1OCC[C@H]1C(=O)N1CCC(CCNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571278509 945753571 /nfs/dbraw/zinc/75/35/71/945753571.db2.gz OMCLIJRUPHKURN-TZMCWYRMSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1CCN(C(=O)CC2(O)CCC2)CC1 ZINC001571279358 945775264 /nfs/dbraw/zinc/77/52/64/945775264.db2.gz VPJKKAPYCZODAE-GFCCVEGCSA-N -1 1 386.460 1.001 20 0 GDADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CCN(C(=O)CC2(O)CCC2)CC1 ZINC001571279358 945775266 /nfs/dbraw/zinc/77/52/66/945775266.db2.gz VPJKKAPYCZODAE-GFCCVEGCSA-N -1 1 386.460 1.001 20 0 GDADMM CCC1(Nc2nc(C)cc(-c3nnn[n-]3)n2)CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001571279681 945784100 /nfs/dbraw/zinc/78/41/00/945784100.db2.gz XVNNHXRAIXWKOC-CQSZACIVSA-N -1 1 386.460 1.327 20 0 GDADMM CCC1(Nc2nc(C)cc(-c3nn[n-]n3)n2)CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001571279681 945784108 /nfs/dbraw/zinc/78/41/08/945784108.db2.gz XVNNHXRAIXWKOC-CQSZACIVSA-N -1 1 386.460 1.327 20 0 GDADMM CCC1(C(=O)N2CCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)CCOCC1 ZINC001571279624 945784644 /nfs/dbraw/zinc/78/46/44/945784644.db2.gz WYFSAXVQEBTIHP-ZDUSSCGKSA-N -1 1 386.460 1.266 20 0 GDADMM CCC1(C(=O)N2CCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)CCOCC1 ZINC001571279624 945784653 /nfs/dbraw/zinc/78/46/53/945784653.db2.gz WYFSAXVQEBTIHP-ZDUSSCGKSA-N -1 1 386.460 1.266 20 0 GDADMM CC[C@@H]1CN(C(=O)C2CCOCC2)CC[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571280038 945795577 /nfs/dbraw/zinc/79/55/77/945795577.db2.gz ZWEXLZCXNHYRNW-OCCSQVGLSA-N -1 1 386.460 1.122 20 0 GDADMM CC[C@@H]1CN(C(=O)C2CCOCC2)CC[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571280038 945795582 /nfs/dbraw/zinc/79/55/82/945795582.db2.gz ZWEXLZCXNHYRNW-OCCSQVGLSA-N -1 1 386.460 1.122 20 0 GDADMM Cc1cn(C)nc1C(=O)N1CCC[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571281159 945797908 /nfs/dbraw/zinc/79/79/08/945797908.db2.gz DMVFUGFVORLENP-NSHDSACASA-N -1 1 387.473 1.390 20 0 GDADMM Cc1nsc(NC[C@H]2CC[C@@H](NC(=O)Cc3cc[nH]n3)C2)c1-c1nn[n-]n1 ZINC001571281921 945819259 /nfs/dbraw/zinc/81/92/59/945819259.db2.gz PSXLLSOWYQJDPG-WDEREUQCSA-N -1 1 387.473 1.294 20 0 GDADMM Cc1c[nH]nc1C(=O)N1C[C@@H](CNc2snc(C)c2-c2nn[n-]n2)[C@H](C)C1 ZINC001571282014 945823854 /nfs/dbraw/zinc/82/38/54/945823854.db2.gz RCRKVFIZFUYRAO-MWLCHTKSSA-N -1 1 387.473 1.483 20 0 GDADMM C[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CN1C(=O)c1cc(Cl)cn1C ZINC001571283413 945883844 /nfs/dbraw/zinc/88/38/44/945883844.db2.gz FJYCZXHCKKIEDS-ONGXEEELSA-N -1 1 387.835 1.364 20 0 GDADMM C[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CN1C(=O)c1cc(Cl)cn1C ZINC001571283413 945883858 /nfs/dbraw/zinc/88/38/58/945883858.db2.gz FJYCZXHCKKIEDS-ONGXEEELSA-N -1 1 387.835 1.364 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2cc(Cl)cn2C)CCN1c1nccnc1-c1nnn[n-]1 ZINC001571284593 945902460 /nfs/dbraw/zinc/90/24/60/945902460.db2.gz RGVRQDZMJIRQLA-KOLCDFICSA-N -1 1 387.835 1.046 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2cc(Cl)cn2C)CCN1c1nccnc1-c1nn[n-]n1 ZINC001571284593 945902466 /nfs/dbraw/zinc/90/24/66/945902466.db2.gz RGVRQDZMJIRQLA-KOLCDFICSA-N -1 1 387.835 1.046 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)OCC[C@@H]2CCOC2=O)c1-c1nnn[n-]1 ZINC000821988638 945915085 /nfs/dbraw/zinc/91/50/85/945915085.db2.gz FXGUKLZFCWCATN-JTQLQIEISA-N -1 1 389.437 1.971 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)OCC[C@@H]2CCOC2=O)c1-c1nn[n-]n1 ZINC000821988638 945915094 /nfs/dbraw/zinc/91/50/94/945915094.db2.gz FXGUKLZFCWCATN-JTQLQIEISA-N -1 1 389.437 1.971 20 0 GDADMM C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001571286283 945941554 /nfs/dbraw/zinc/94/15/54/945941554.db2.gz DDHCVDHMRVSRLK-WDEREUQCSA-N -1 1 388.432 1.781 20 0 GDADMM C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001571286283 945941561 /nfs/dbraw/zinc/94/15/61/945941561.db2.gz DDHCVDHMRVSRLK-WDEREUQCSA-N -1 1 388.432 1.781 20 0 GDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1ccc(N2CCOCC2)c(F)c1 ZINC001571286414 945946828 /nfs/dbraw/zinc/94/68/28/945946828.db2.gz HDVWEEAONSGFJP-UHFFFAOYSA-N -1 1 388.428 1.834 20 0 GDADMM CC(C)(C)OC(=O)N1[C@@H](C(=O)Nc2n[nH]cc2-c2nnn[n-]2)CC[C@H]1C1CC1 ZINC001571286537 945950614 /nfs/dbraw/zinc/95/06/14/945950614.db2.gz KGCCYGXWQYTLFE-NWDGAFQWSA-N -1 1 388.432 1.706 20 0 GDADMM CC(C)(C)OC(=O)N1[C@@H](C(=O)Nc2n[nH]cc2-c2nn[n-]n2)CC[C@H]1C1CC1 ZINC001571286537 945950617 /nfs/dbraw/zinc/95/06/17/945950617.db2.gz KGCCYGXWQYTLFE-NWDGAFQWSA-N -1 1 388.432 1.706 20 0 GDADMM Cc1nsc(N[C@H]2CN(C(=O)CCc3ccon3)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571289539 946010781 /nfs/dbraw/zinc/01/07/81/946010781.db2.gz HBJVLAUAWNISPY-SKDRFNHKSA-N -1 1 388.457 1.511 20 0 GDADMM CC[C@H](F)C(=O)N1CCC([C@@H]2CCCN2c2nccnc2-c2nnn[n-]2)CC1 ZINC001571289589 946013124 /nfs/dbraw/zinc/01/31/24/946013124.db2.gz ILYXHQUQWAAWJJ-KBPBESRZSA-N -1 1 388.451 1.612 20 0 GDADMM CC[C@H](F)C(=O)N1CCC([C@@H]2CCCN2c2nccnc2-c2nn[n-]n2)CC1 ZINC001571289589 946013135 /nfs/dbraw/zinc/01/31/35/946013135.db2.gz ILYXHQUQWAAWJJ-KBPBESRZSA-N -1 1 388.451 1.612 20 0 GDADMM Cc1conc1C(=O)N[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)[C@@H](C)C1 ZINC001571289868 946019267 /nfs/dbraw/zinc/01/92/67/946019267.db2.gz ONWXZKZUVJVCCZ-GXSJLCMTSA-N -1 1 388.457 1.715 20 0 GDADMM O=C(NC[C@@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1)[C@@H]1CC12CCC2 ZINC001571289955 946023346 /nfs/dbraw/zinc/02/33/46/946023346.db2.gz QQWLPCNLUQSUBZ-OCCSQVGLSA-N -1 1 388.497 1.435 20 0 GDADMM C[C@@H]1CN(C(=O)c2occc2Cl)CC[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571290946 946062857 /nfs/dbraw/zinc/06/28/57/946062857.db2.gz VDVUXCMMFGPWRR-KOLCDFICSA-N -1 1 388.819 1.866 20 0 GDADMM C[C@@H]1CN(C(=O)c2occc2Cl)CC[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571290946 946062868 /nfs/dbraw/zinc/06/28/68/946062868.db2.gz VDVUXCMMFGPWRR-KOLCDFICSA-N -1 1 388.819 1.866 20 0 GDADMM CC(C)C1CCC(CNC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC1 ZINC001571293994 946123029 /nfs/dbraw/zinc/12/30/29/946123029.db2.gz XQICRGMOGQCTHO-UHFFFAOYSA-N -1 1 389.460 1.098 20 0 GDADMM O=C([C@@H]1CCC1(F)F)N1CC[C@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571294758 946142850 /nfs/dbraw/zinc/14/28/50/946142850.db2.gz LZGYIOSLWSSHND-ZBEGNZNMSA-N -1 1 390.398 1.131 20 0 GDADMM Cc1nsc(N2CC[C@H](NC(=O)[C@@H]3CCO[C@H]3C3CC3)C2)c1-c1nn[n-]n1 ZINC001571295444 946164797 /nfs/dbraw/zinc/16/47/97/946164797.db2.gz TUQBYXXGDQQYQN-SCRDCRAPSA-N -1 1 389.485 1.142 20 0 GDADMM C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C(=O)OC(C)(C)C)n1cnc(-c2nn[n-]n2)n1 ZINC001571295765 946173669 /nfs/dbraw/zinc/17/36/69/946173669.db2.gz FIIBNUROTRPAHI-IJLUTSLNSA-N -1 1 390.448 1.131 20 0 GDADMM CC1(C)C[C@@H]1C(=O)NCc1ccc2c(c1)CN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001571298179 946209665 /nfs/dbraw/zinc/20/96/65/946209665.db2.gz BIHUEJHZIRGOOK-OAHLLOKOSA-N -1 1 390.451 1.839 20 0 GDADMM Cc1nsc(N2C[C@@H](NC(=O)c3ccns3)CC[C@H]2C)c1-c1nn[n-]n1 ZINC001571298278 946211558 /nfs/dbraw/zinc/21/15/58/946211558.db2.gz MGYJNMNRPCIMIF-SCZZXKLOSA-N -1 1 390.498 1.875 20 0 GDADMM C[C@@H]1CN(C(=O)C2Cc3ccccc3C2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571298567 946220951 /nfs/dbraw/zinc/22/09/51/946220951.db2.gz HBAFXIMWJIQVSY-SJKOYZFVSA-N -1 1 390.451 1.331 20 0 GDADMM C[C@@H]1CN(C(=O)C2Cc3ccccc3C2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571298567 946220960 /nfs/dbraw/zinc/22/09/60/946220960.db2.gz HBAFXIMWJIQVSY-SJKOYZFVSA-N -1 1 390.451 1.331 20 0 GDADMM CN(C(=O)c1cccnc1)[C@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571298562 946223218 /nfs/dbraw/zinc/22/32/18/946223218.db2.gz AXFVGLHLQLLXPV-JTQLQIEISA-N -1 1 390.860 1.723 20 0 GDADMM CN(C(=O)c1cccnc1)[C@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571298562 946223235 /nfs/dbraw/zinc/22/32/35/946223235.db2.gz AXFVGLHLQLLXPV-JTQLQIEISA-N -1 1 390.860 1.723 20 0 GDADMM CC[C@@H](SC)C(=O)N1CCC[C@H](CN(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571298749 946226717 /nfs/dbraw/zinc/22/67/17/946226717.db2.gz CVZQTZYVVCXGDS-CHWSQXEVSA-N -1 1 390.517 1.473 20 0 GDADMM CC[C@H](SC)C(=O)N1CCC[C@H](CN(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571298751 946228003 /nfs/dbraw/zinc/22/80/03/946228003.db2.gz CVZQTZYVVCXGDS-OLZOCXBDSA-N -1 1 390.517 1.473 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC001571299261 946244555 /nfs/dbraw/zinc/24/45/55/946244555.db2.gz VJPGTSZFBQLDOS-HRCADAONSA-N -1 1 390.451 1.545 20 0 GDADMM Cc1ccccc1C1(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001571299274 946245638 /nfs/dbraw/zinc/24/56/38/946245638.db2.gz QCVXVUNBGQXZFQ-CQSZACIVSA-N -1 1 390.451 1.710 20 0 GDADMM Cc1ccccc1C1(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001571299274 946245649 /nfs/dbraw/zinc/24/56/49/946245649.db2.gz QCVXVUNBGQXZFQ-CQSZACIVSA-N -1 1 390.451 1.710 20 0 GDADMM CCc1ccccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571300018 946270313 /nfs/dbraw/zinc/27/03/13/946270313.db2.gz YDYWZCWPNKXPTR-KBMXLJTQSA-N -1 1 390.451 1.759 20 0 GDADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCCN(C(=O)[C@@H]2Cc3ccccc32)C1 ZINC001571300030 946270653 /nfs/dbraw/zinc/27/06/53/946270653.db2.gz YJHLCUGDPLDZOH-GDBMZVCRSA-N -1 1 390.451 1.424 20 0 GDADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCCN(C(=O)[C@@H]2Cc3ccccc32)C1 ZINC001571300030 946270663 /nfs/dbraw/zinc/27/06/63/946270663.db2.gz YJHLCUGDPLDZOH-GDBMZVCRSA-N -1 1 390.451 1.424 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)NCc1ccc2c(c1)OCO2 ZINC000823027133 946280654 /nfs/dbraw/zinc/28/06/54/946280654.db2.gz NHGUPZZMNYDZJV-UHFFFAOYSA-N -1 1 387.377 1.130 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)NCc1ccc2c(c1)OCO2 ZINC000823027133 946280662 /nfs/dbraw/zinc/28/06/62/946280662.db2.gz NHGUPZZMNYDZJV-UHFFFAOYSA-N -1 1 387.377 1.130 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c(C2CC2)n1 ZINC001571302599 946306717 /nfs/dbraw/zinc/30/67/17/946306717.db2.gz CMBXQDJMLFYTJE-CYBMUJFWSA-N -1 1 391.439 1.564 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c(C2CC2)n1 ZINC001571302599 946306728 /nfs/dbraw/zinc/30/67/28/946306728.db2.gz CMBXQDJMLFYTJE-CYBMUJFWSA-N -1 1 391.439 1.564 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc(C2CC2)cn1 ZINC001571302973 946320609 /nfs/dbraw/zinc/32/06/09/946320609.db2.gz GIZQRCGGJBMRAS-FZMZJTMJSA-N -1 1 391.439 1.644 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc(C2CC2)cn1 ZINC001571302973 946320620 /nfs/dbraw/zinc/32/06/20/946320620.db2.gz GIZQRCGGJBMRAS-FZMZJTMJSA-N -1 1 391.439 1.644 20 0 GDADMM O=C(c1ccnc(C2CC2)c1)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571303284 946332066 /nfs/dbraw/zinc/33/20/66/946332066.db2.gz NNXRMDVHTRDICM-GFCCVEGCSA-N -1 1 391.439 1.503 20 0 GDADMM O=C(c1ccnc(C2CC2)c1)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571303284 946332077 /nfs/dbraw/zinc/33/20/77/946332077.db2.gz NNXRMDVHTRDICM-GFCCVEGCSA-N -1 1 391.439 1.503 20 0 GDADMM Cc1ccncc1C(=O)N[C@@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571303557 946340009 /nfs/dbraw/zinc/34/00/09/946340009.db2.gz SURHSVZKXFZIEX-OAHLLOKOSA-N -1 1 391.439 1.149 20 0 GDADMM Cc1ccncc1C(=O)N[C@@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001571303557 946340022 /nfs/dbraw/zinc/34/00/22/946340022.db2.gz SURHSVZKXFZIEX-OAHLLOKOSA-N -1 1 391.439 1.149 20 0 GDADMM C[C@@H]1CN(C(=O)c2cccnc2C2CC2)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571304175 946359675 /nfs/dbraw/zinc/35/96/75/946359675.db2.gz ZPESYZQNGPHXSW-ABAIWWIYSA-N -1 1 391.439 1.502 20 0 GDADMM C[C@@H]1CN(C(=O)c2cccnc2C2CC2)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571304175 946359687 /nfs/dbraw/zinc/35/96/87/946359687.db2.gz ZPESYZQNGPHXSW-ABAIWWIYSA-N -1 1 391.439 1.502 20 0 GDADMM CN(C(=O)c1ccc(C2CC2)cn1)C1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571304181 946360115 /nfs/dbraw/zinc/36/01/15/946360115.db2.gz ZQQNYDKDYLRFTK-UHFFFAOYSA-N -1 1 391.439 1.644 20 0 GDADMM CN(C(=O)c1ccc(C2CC2)cn1)C1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571304181 946360129 /nfs/dbraw/zinc/36/01/29/946360129.db2.gz ZQQNYDKDYLRFTK-UHFFFAOYSA-N -1 1 391.439 1.644 20 0 GDADMM Cc1nsc(NC[C@@H]2CC[C@@H](NC(=O)C3CCOCC3)C2)c1-c1nn[n-]n1 ZINC001571305860 946380201 /nfs/dbraw/zinc/38/02/01/946380201.db2.gz MDBRLPXBAZYVKV-DGCLKSJQSA-N -1 1 391.501 1.755 20 0 GDADMM CO[C@@H]1CN(c2snc(C)c2-c2nn[n-]n2)C[C@H]1NC(=O)C1(C)CCCC1 ZINC001571306712 946409738 /nfs/dbraw/zinc/40/97/38/946409738.db2.gz ZYFZKESAEVUCAH-VXGBXAGGSA-N -1 1 391.501 1.532 20 0 GDADMM O=C([O-])c1cc2c(cc1NS(=O)(=O)c1ccccc1-c1nn[nH]n1)OCO2 ZINC000823387094 946421267 /nfs/dbraw/zinc/42/12/67/946421267.db2.gz CLCLCVCHROAVBG-UHFFFAOYSA-N -1 1 389.349 1.094 20 0 GDADMM CN(C[C@@H]1CCCN(C(=O)[C@@H]2CCC2(F)F)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571307392 946422177 /nfs/dbraw/zinc/42/21/77/946422177.db2.gz CYBQLKSZFHRDDD-RYUDHWBXSA-N -1 1 392.414 1.377 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)C3(C(F)F)CCC3)C2)cc(-c2nnn[n-]2)n1 ZINC001571307610 946424346 /nfs/dbraw/zinc/42/43/46/946424346.db2.gz GLPCPRGHQOGVIF-SNVBAGLBSA-N -1 1 392.414 1.667 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)C3(C(F)F)CCC3)C2)cc(-c2nn[n-]n2)n1 ZINC001571307610 946424355 /nfs/dbraw/zinc/42/43/55/946424355.db2.gz GLPCPRGHQOGVIF-SNVBAGLBSA-N -1 1 392.414 1.667 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@H](NC(=O)[C@H]3CCC3(F)F)C2)n1 ZINC001571307568 946424877 /nfs/dbraw/zinc/42/48/77/946424877.db2.gz FDUREMNWDVTMLY-WDEREUQCSA-N -1 1 392.414 1.349 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@H](NC(=O)[C@H]3CCC3(F)F)C2)n1 ZINC001571307568 946424882 /nfs/dbraw/zinc/42/48/82/946424882.db2.gz FDUREMNWDVTMLY-WDEREUQCSA-N -1 1 392.414 1.349 20 0 GDADMM CN(C(=O)C[C@H]1CCCC1(F)F)C1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571307913 946427223 /nfs/dbraw/zinc/42/72/23/946427223.db2.gz JTJZTZPEUOZOEC-VOMCLLRMSA-N -1 1 392.414 1.884 20 0 GDADMM CN(C(=O)C[C@H]1CCCC1(F)F)C1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571307913 946427231 /nfs/dbraw/zinc/42/72/31/946427231.db2.gz JTJZTZPEUOZOEC-VOMCLLRMSA-N -1 1 392.414 1.884 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2C[C@@H](C)N(C(=O)CC3CC(F)(F)C3)C2)n1 ZINC001571308393 946433540 /nfs/dbraw/zinc/43/35/40/946433540.db2.gz PMYSCZFGCIODOX-ZYHUDNBSSA-N -1 1 392.414 1.802 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2C[C@@H](C)N(C(=O)CC3CC(F)(F)C3)C2)n1 ZINC001571308393 946433544 /nfs/dbraw/zinc/43/35/44/946433544.db2.gz PMYSCZFGCIODOX-ZYHUDNBSSA-N -1 1 392.414 1.802 20 0 GDADMM CC1(C)C[C@H]1C(=O)NC[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCC1(F)F ZINC001571308739 946435226 /nfs/dbraw/zinc/43/52/26/946435226.db2.gz SPSZKWLJLLAFMT-QWRGUYRKSA-N -1 1 392.414 1.281 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(NC(=O)CC3CC(F)(F)C3)CC2)n1 ZINC001571308722 946435432 /nfs/dbraw/zinc/43/54/32/946435432.db2.gz SMHOWBXCZVMSQA-UHFFFAOYSA-N -1 1 392.414 1.486 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(NC(=O)CC3CC(F)(F)C3)CC2)n1 ZINC001571308722 946435439 /nfs/dbraw/zinc/43/54/39/946435439.db2.gz SMHOWBXCZVMSQA-UHFFFAOYSA-N -1 1 392.414 1.486 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)C3(C(F)F)CC3)C[C@@H]2C)n1 ZINC001571308565 946435460 /nfs/dbraw/zinc/43/54/60/946435460.db2.gz RCDJSXBQSDBGFN-GXSJLCMTSA-N -1 1 392.414 1.659 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)C3(C(F)F)CC3)C[C@@H]2C)n1 ZINC001571308565 946435471 /nfs/dbraw/zinc/43/54/71/946435471.db2.gz RCDJSXBQSDBGFN-GXSJLCMTSA-N -1 1 392.414 1.659 20 0 GDADMM CCc1nc(NCC2CC(NC(=O)[C@H]3C[C@@H]3C(F)F)C2)cc(-c2nnn[n-]2)n1 ZINC001571308868 946437982 /nfs/dbraw/zinc/43/79/82/946437982.db2.gz TZZXBINCWKBVDI-TVUZUIDESA-N -1 1 392.414 1.427 20 0 GDADMM CCc1nc(NCC2CC(NC(=O)[C@H]3C[C@@H]3C(F)F)C2)cc(-c2nn[n-]n2)n1 ZINC001571308868 946437987 /nfs/dbraw/zinc/43/79/87/946437987.db2.gz TZZXBINCWKBVDI-TVUZUIDESA-N -1 1 392.414 1.427 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(C(F)F)CC2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571309426 946444886 /nfs/dbraw/zinc/44/48/86/946444886.db2.gz ZQPRPPXOPREMNV-MNOVXSKESA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(C(F)F)CC2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571309426 946444892 /nfs/dbraw/zinc/44/48/92/946444892.db2.gz ZQPRPPXOPREMNV-MNOVXSKESA-N -1 1 392.414 1.599 20 0 GDADMM CN(C[C@@H]1CCCCN1C(=O)C1CC(F)(F)C1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571309429 946445362 /nfs/dbraw/zinc/44/53/62/946445362.db2.gz ZRCIHQSNDONIIH-LBPRGKRZSA-N -1 1 392.414 1.519 20 0 GDADMM CN(C[C@@H]1CCCCN1C(=O)C1CC(F)(F)C1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571309429 946445374 /nfs/dbraw/zinc/44/53/74/946445374.db2.gz ZRCIHQSNDONIIH-LBPRGKRZSA-N -1 1 392.414 1.519 20 0 GDADMM COc1cccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nnn[n-]3)nn2)c1C ZINC001571310033 946460133 /nfs/dbraw/zinc/46/01/33/946460133.db2.gz SNWFWUWVJDVFHT-STQMWFEESA-N -1 1 392.423 1.077 20 0 GDADMM COc1cccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nn[n-]n3)nn2)c1C ZINC001571310033 946460141 /nfs/dbraw/zinc/46/01/41/946460141.db2.gz SNWFWUWVJDVFHT-STQMWFEESA-N -1 1 392.423 1.077 20 0 GDADMM CN(C(=O)[C@@H]1COc2ccccc21)C1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571310052 946462254 /nfs/dbraw/zinc/46/22/54/946462254.db2.gz SZKQQWDNCVOPCJ-ORHYLEIMSA-N -1 1 392.423 1.234 20 0 GDADMM CN(C(=O)[C@@H]1COc2ccccc21)C1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571310052 946462261 /nfs/dbraw/zinc/46/22/61/946462261.db2.gz SZKQQWDNCVOPCJ-ORHYLEIMSA-N -1 1 392.423 1.234 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)[C@H]1CCC(F)(F)C1 ZINC001571310078 946462273 /nfs/dbraw/zinc/46/22/73/946462273.db2.gz UPQOYJSOSCWNEL-NWDGAFQWSA-N -1 1 392.414 1.567 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)[C@H]1CCC(F)(F)C1 ZINC001571310078 946462279 /nfs/dbraw/zinc/46/22/79/946462279.db2.gz UPQOYJSOSCWNEL-NWDGAFQWSA-N -1 1 392.414 1.567 20 0 GDADMM COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N(C)C[C@@H]1CCCN1C ZINC000325665987 971235180 /nfs/dbraw/zinc/23/51/80/971235180.db2.gz ISRWOFKMMHPTQV-NSHDSACASA-N -1 1 376.862 1.762 20 0 GDADMM O=C(c1cncnc1C1CC1)N1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571310853 946479272 /nfs/dbraw/zinc/47/92/72/946479272.db2.gz ODNFUAQXBFHGTI-LBPRGKRZSA-N -1 1 392.427 1.041 20 0 GDADMM O=C(c1cncnc1C1CC1)N1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571310853 946479275 /nfs/dbraw/zinc/47/92/75/946479275.db2.gz ODNFUAQXBFHGTI-LBPRGKRZSA-N -1 1 392.427 1.041 20 0 GDADMM CCc1ccc(C(=O)N2CCC(N(C)c3ccc(-c4nnn[n-]4)nn3)CC2)cc1 ZINC001571313482 946523174 /nfs/dbraw/zinc/52/31/74/946523174.db2.gz PZFVDFFDJYBLDO-UHFFFAOYSA-N -1 1 392.467 1.960 20 0 GDADMM CCc1ccc(C(=O)N2CCC(N(C)c3ccc(-c4nn[n-]n4)nn3)CC2)cc1 ZINC001571313482 946523188 /nfs/dbraw/zinc/52/31/88/946523188.db2.gz PZFVDFFDJYBLDO-UHFFFAOYSA-N -1 1 392.467 1.960 20 0 GDADMM CCc1cccc(CC(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C)c1 ZINC001571313809 946532314 /nfs/dbraw/zinc/53/23/14/946532314.db2.gz WPGCVBJHVSFUNK-CXAGYDPISA-N -1 1 392.467 1.403 20 0 GDADMM CCc1cccc(CC(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C)c1 ZINC001571313809 946532320 /nfs/dbraw/zinc/53/23/20/946532320.db2.gz WPGCVBJHVSFUNK-CXAGYDPISA-N -1 1 392.467 1.403 20 0 GDADMM Cc1ccc(CC(=O)N2CCC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)cc1C ZINC001571314706 946542422 /nfs/dbraw/zinc/54/24/22/946542422.db2.gz ARODBHGCIYVGLH-INIZCTEOSA-N -1 1 392.467 1.919 20 0 GDADMM Cc1ccc(CC(=O)N2CCC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)cc1C ZINC001571314706 946542436 /nfs/dbraw/zinc/54/24/36/946542436.db2.gz ARODBHGCIYVGLH-INIZCTEOSA-N -1 1 392.467 1.919 20 0 GDADMM Cc1cc(C)c(CC(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)c(C)c1 ZINC001571314690 946542901 /nfs/dbraw/zinc/54/29/01/946542901.db2.gz ADJLFMLZEUIEDP-HNNXBMFYSA-N -1 1 392.467 1.520 20 0 GDADMM Cc1cc(C)c(CC(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)c(C)c1 ZINC001571314690 946542905 /nfs/dbraw/zinc/54/29/05/946542905.db2.gz ADJLFMLZEUIEDP-HNNXBMFYSA-N -1 1 392.467 1.520 20 0 GDADMM Cc1cccc(C(=O)N2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C(C)(C)C2)c1C ZINC001571315442 946552621 /nfs/dbraw/zinc/55/26/21/946552621.db2.gz KXSPRIZBTYOQQV-HNNXBMFYSA-N -1 1 392.467 1.658 20 0 GDADMM Cc1cc(C)cc(C(=O)N2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C(C)(C)C2)c1 ZINC001571316064 946563224 /nfs/dbraw/zinc/56/32/24/946563224.db2.gz SVLRDTKOCLKEHF-OAHLLOKOSA-N -1 1 392.467 1.658 20 0 GDADMM C[C@@H]1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)C[C@H]1NC(=O)c1ccn(C)c1 ZINC001571317351 946606314 /nfs/dbraw/zinc/60/63/14/946606314.db2.gz DVRYNBASKOIDDJ-PSASIEDQSA-N -1 1 392.876 1.570 20 0 GDADMM COc1cc(CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)cc(Cl)c1OC ZINC001571317604 946616126 /nfs/dbraw/zinc/61/61/26/946616126.db2.gz ODTGANVTKCOLCR-UHFFFAOYSA-N -1 1 392.803 1.693 20 0 GDADMM COc1cc(CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)cc(Cl)c1OC ZINC001571317604 946616139 /nfs/dbraw/zinc/61/61/39/946616139.db2.gz ODTGANVTKCOLCR-UHFFFAOYSA-N -1 1 392.803 1.693 20 0 GDADMM CC(=O)Nc1cc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)cc(C(F)(F)F)c1 ZINC001573543362 946806183 /nfs/dbraw/zinc/80/61/83/946806183.db2.gz XRHIPOVIKWVDOY-UHFFFAOYSA-N -1 1 380.290 1.819 20 0 GDADMM CC(=O)Nc1ccc(C)c(S(=O)(=O)NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC001573547358 946834785 /nfs/dbraw/zinc/83/47/85/946834785.db2.gz LKPMBIZCGYSQLD-UHFFFAOYSA-N -1 1 392.466 1.674 20 0 GDADMM CC(=O)Nc1cccc2c1CN(S(=O)(=O)c1ccc(-c3nn[n-]n3)o1)CC2 ZINC001573548984 946863387 /nfs/dbraw/zinc/86/33/87/946863387.db2.gz ZSLWQXHSXCIWEY-UHFFFAOYSA-N -1 1 388.409 1.165 20 0 GDADMM CC(=O)c1ccc(CCNS(=O)(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC001573556521 946926907 /nfs/dbraw/zinc/92/69/07/946926907.db2.gz RHRGRDGOCPCDKX-UHFFFAOYSA-N -1 1 389.412 1.729 20 0 GDADMM C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000824978484 947018695 /nfs/dbraw/zinc/01/86/95/947018695.db2.gz WDAKQPCQMIJVMC-SNVBAGLBSA-N -1 1 391.436 1.073 20 0 GDADMM C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000824978484 947018703 /nfs/dbraw/zinc/01/87/03/947018703.db2.gz WDAKQPCQMIJVMC-SNVBAGLBSA-N -1 1 391.436 1.073 20 0 GDADMM CC[C@H](C)n1nc(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1C ZINC000825081636 947070146 /nfs/dbraw/zinc/07/01/46/947070146.db2.gz KYGFFROXMAHSQE-VIFPVBQESA-N -1 1 387.452 1.402 20 0 GDADMM CC[C@H](C)n1nc(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1C ZINC000825081636 947070157 /nfs/dbraw/zinc/07/01/57/947070157.db2.gz KYGFFROXMAHSQE-VIFPVBQESA-N -1 1 387.452 1.402 20 0 GDADMM C=C1c2ccccc2C(=O)N1CCC(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001573300702 947120565 /nfs/dbraw/zinc/12/05/65/947120565.db2.gz MSBQNERIBUZPDS-UHFFFAOYSA-N -1 1 391.391 1.726 20 0 GDADMM CCCCC(=O)N1CSC[C@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825258853 947133899 /nfs/dbraw/zinc/13/38/99/947133899.db2.gz FRDYXTQKKTUWAP-LBPRGKRZSA-N -1 1 376.442 1.603 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)N2CCSc3ccccc32)c1-c1nn[n-]n1 ZINC000825565523 947225644 /nfs/dbraw/zinc/22/56/44/947225644.db2.gz UKGGJLQOWICPDJ-UHFFFAOYSA-N -1 1 399.436 1.379 20 0 GDADMM C=C/C(C)=C/CC(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001573315976 947263263 /nfs/dbraw/zinc/26/32/63/947263263.db2.gz DTYSSZWZRRSCFD-QJIMOZNHSA-N -1 1 380.456 1.654 20 0 GDADMM C=C/C(C)=C/CC(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001573315976 947263273 /nfs/dbraw/zinc/26/32/73/947263273.db2.gz DTYSSZWZRRSCFD-QJIMOZNHSA-N -1 1 380.456 1.654 20 0 GDADMM C[C@@H](C(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1)c1cnn(C)c1 ZINC001573591813 947319074 /nfs/dbraw/zinc/31/90/74/947319074.db2.gz FZRLXWUDWGXTJV-LLVKDONJSA-N -1 1 386.485 1.108 20 0 GDADMM C[C@H](C(=O)N(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)C(F)(F)F ZINC001573592656 947345628 /nfs/dbraw/zinc/34/56/28/947345628.db2.gz DWBDVSXNFDUCDX-KCJUWKMLSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@H](C(=O)N(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)C(F)(F)F ZINC001573592656 947345644 /nfs/dbraw/zinc/34/56/44/947345644.db2.gz DWBDVSXNFDUCDX-KCJUWKMLSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1ccc(-c2nnn[n-]2)nn1)n1cccc1 ZINC001573592906 947355800 /nfs/dbraw/zinc/35/58/00/947355800.db2.gz OFHYMPVXJVQNIA-CYBMUJFWSA-N -1 1 383.460 1.616 20 0 GDADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1ccc(-c2nn[n-]n2)nn1)n1cccc1 ZINC001573592906 947355813 /nfs/dbraw/zinc/35/58/13/947355813.db2.gz OFHYMPVXJVQNIA-CYBMUJFWSA-N -1 1 383.460 1.616 20 0 GDADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1ccc(-c2nnn[n-]2)nn1)n1cccn1 ZINC001573593169 947365042 /nfs/dbraw/zinc/36/50/42/947365042.db2.gz QXZSXIQVWPUVRM-GFCCVEGCSA-N -1 1 384.448 1.011 20 0 GDADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1ccc(-c2nn[n-]n2)nn1)n1cccn1 ZINC001573593169 947365052 /nfs/dbraw/zinc/36/50/52/947365052.db2.gz QXZSXIQVWPUVRM-GFCCVEGCSA-N -1 1 384.448 1.011 20 0 GDADMM C[C@H](C(=O)N(C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)c1ccco1 ZINC001573593738 947376216 /nfs/dbraw/zinc/37/62/16/947376216.db2.gz VJBZZRCDGPUWNT-LBPRGKRZSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@H](C(=O)N(C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)c1ccco1 ZINC001573593738 947376229 /nfs/dbraw/zinc/37/62/29/947376229.db2.gz VJBZZRCDGPUWNT-LBPRGKRZSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@@H](C(=O)N(C)C[C@@H](O)CNc1snc(Cl)c1-c1nnn[n-]1)C1CC1 ZINC001573595110 947415384 /nfs/dbraw/zinc/41/53/84/947415384.db2.gz FPDGBOMOEXKTQY-APPZFPTMSA-N -1 1 385.881 1.254 20 0 GDADMM C[C@@H](C(=O)N(C)C[C@@H](O)CNc1snc(Cl)c1-c1nn[n-]n1)C1CC1 ZINC001573595110 947415387 /nfs/dbraw/zinc/41/53/87/947415387.db2.gz FPDGBOMOEXKTQY-APPZFPTMSA-N -1 1 385.881 1.254 20 0 GDADMM C[C@H](C(=O)N(C)CCCN(C)c1cncc(-c2nnn[n-]2)n1)c1cccnc1 ZINC001573599023 947449380 /nfs/dbraw/zinc/44/93/80/947449380.db2.gz UJMPOHGQPUYEJG-ZDUSSCGKSA-N -1 1 381.444 1.140 20 0 GDADMM C[C@H](C(=O)N(C)CCCN(C)c1cncc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001573599023 947449387 /nfs/dbraw/zinc/44/93/87/947449387.db2.gz UJMPOHGQPUYEJG-ZDUSSCGKSA-N -1 1 381.444 1.140 20 0 GDADMM COCCN(Cc1ccc(C)cc1C)C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000826159266 947503369 /nfs/dbraw/zinc/50/33/69/947503369.db2.gz ZPDMQRSTPIAEDY-UHFFFAOYSA-N -1 1 384.440 1.998 20 0 GDADMM COCCN(Cc1ccc(C)cc1C)C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000826159266 947503372 /nfs/dbraw/zinc/50/33/72/947503372.db2.gz ZPDMQRSTPIAEDY-UHFFFAOYSA-N -1 1 384.440 1.998 20 0 GDADMM C[C@H](C(=O)N1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)(C)C1)C(C)(F)F ZINC001573613837 947572790 /nfs/dbraw/zinc/57/27/90/947572790.db2.gz JNLXFBYJJJHBDP-ZJUUUORDSA-N -1 1 380.403 1.019 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573614142 947577984 /nfs/dbraw/zinc/57/79/84/947577984.db2.gz CFQHZNIJVZPXCK-QWRGUYRKSA-N -1 1 380.403 1.020 20 0 GDADMM C[C@H](C(=O)N1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1)n1cccc1 ZINC001573614295 947581270 /nfs/dbraw/zinc/58/12/70/947581270.db2.gz LOHCODGVKGKNBO-OCCSQVGLSA-N -1 1 381.444 1.368 20 0 GDADMM C[C@H](C(=O)N1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C1)n1cccc1 ZINC001573614295 947581279 /nfs/dbraw/zinc/58/12/79/947581279.db2.gz LOHCODGVKGKNBO-OCCSQVGLSA-N -1 1 381.444 1.368 20 0 GDADMM C=Cc1ccc(C(=O)N(C)CCCN(C)c2cncc(-c3nnn[n-]3)n2)cc1 ZINC001573350345 947594746 /nfs/dbraw/zinc/59/47/46/947594746.db2.gz ALJRJVMAKUQZME-UHFFFAOYSA-N -1 1 378.440 1.898 20 0 GDADMM C=Cc1ccc(C(=O)N(C)CCCN(C)c2cncc(-c3nn[n-]n3)n2)cc1 ZINC001573350345 947594749 /nfs/dbraw/zinc/59/47/49/947594749.db2.gz ALJRJVMAKUQZME-UHFFFAOYSA-N -1 1 378.440 1.898 20 0 GDADMM C[C@@H](C(=O)N1CCC(CNc2ccc(-c3nnn[n-]3)nn2)CC1)n1cccc1 ZINC001573615206 947601645 /nfs/dbraw/zinc/60/16/45/947601645.db2.gz JBCJRKHNVIZIDM-ZDUSSCGKSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@@H](C(=O)N1CCC(CNc2ccc(-c3nn[n-]n3)nn2)CC1)n1cccc1 ZINC001573615206 947601652 /nfs/dbraw/zinc/60/16/52/947601652.db2.gz JBCJRKHNVIZIDM-ZDUSSCGKSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@H](C(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C(C)(C)C1)c1ccco1 ZINC001573615875 947612232 /nfs/dbraw/zinc/61/22/32/947612232.db2.gz UCEAINMDLYVNKL-FZMZJTMJSA-N -1 1 382.428 1.702 20 0 GDADMM C[C@H](C(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C(C)(C)C1)c1ccco1 ZINC001573615875 947612241 /nfs/dbraw/zinc/61/22/41/947612241.db2.gz UCEAINMDLYVNKL-FZMZJTMJSA-N -1 1 382.428 1.702 20 0 GDADMM C[C@H](C(=O)N1CC[C@@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001573616205 947619103 /nfs/dbraw/zinc/61/91/03/947619103.db2.gz VSCBDKKHKNUUBU-SGTLLEGYSA-N -1 1 382.428 1.126 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@](C)(CNc2cnc(-c3nnn[n-]3)cn2)C1)C(C)(F)F ZINC001573616674 947625505 /nfs/dbraw/zinc/62/55/05/947625505.db2.gz MWWAPDOQHHXWTD-BONVTDFDSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@](C)(CNc2cnc(-c3nn[n-]n3)cn2)C1)C(C)(F)F ZINC001573616674 947625509 /nfs/dbraw/zinc/62/55/09/947625509.db2.gz MWWAPDOQHHXWTD-BONVTDFDSA-N -1 1 380.403 1.599 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)C)cc1 ZINC001573354889 947639202 /nfs/dbraw/zinc/63/92/02/947639202.db2.gz JRMGBVHHSIABDM-HNNXBMFYSA-N -1 1 378.440 1.588 20 0 GDADMM CS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1C(F)F ZINC000826223880 947658829 /nfs/dbraw/zinc/65/88/29/947658829.db2.gz DMXJFTLWQNPJFK-UHFFFAOYSA-N -1 1 394.363 1.855 20 0 GDADMM CS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1C(F)F ZINC000826223880 947658834 /nfs/dbraw/zinc/65/88/34/947658834.db2.gz DMXJFTLWQNPJFK-UHFFFAOYSA-N -1 1 394.363 1.855 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CC[C@@H](Cc3ccncc3)C2)cc1-c1nn[n-]n1 ZINC000826229361 947672283 /nfs/dbraw/zinc/67/22/83/947672283.db2.gz BAJMZONGDFIMJH-LBPRGKRZSA-N -1 1 397.464 1.789 20 0 GDADMM C[C@@H](C(=O)N1CCC(O)(CNc2nccnc2-c2nnn[n-]2)CC1)C(C)(C)C ZINC001573623613 947689342 /nfs/dbraw/zinc/68/93/42/947689342.db2.gz HETANJMJPWYZJP-LBPRGKRZSA-N -1 1 388.476 1.104 20 0 GDADMM C[C@@H](C(=O)N1CCC(O)(CNc2nccnc2-c2nn[n-]n2)CC1)C(C)(C)C ZINC001573623613 947689346 /nfs/dbraw/zinc/68/93/46/947689346.db2.gz HETANJMJPWYZJP-LBPRGKRZSA-N -1 1 388.476 1.104 20 0 GDADMM C[C@H](C(=O)N1CCC(O)(CNc2ccc(-c3nnn[n-]3)nn2)CC1)C(C)(C)C ZINC001573623823 947691666 /nfs/dbraw/zinc/69/16/66/947691666.db2.gz IRLXHVJMGBRUSJ-GFCCVEGCSA-N -1 1 388.476 1.104 20 0 GDADMM C[C@H](C(=O)N1CCC(O)(CNc2ccc(-c3nn[n-]n3)nn2)CC1)C(C)(C)C ZINC001573623823 947691672 /nfs/dbraw/zinc/69/16/72/947691672.db2.gz IRLXHVJMGBRUSJ-GFCCVEGCSA-N -1 1 388.476 1.104 20 0 GDADMM C[C@H](C(=O)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1)c1cccnc1 ZINC001573626971 947716270 /nfs/dbraw/zinc/71/62/70/947716270.db2.gz YFUFDOHTFWWYJK-LBPRGKRZSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@H](C(=O)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1)c1cccnc1 ZINC001573626971 947716279 /nfs/dbraw/zinc/71/62/79/947716279.db2.gz YFUFDOHTFWWYJK-LBPRGKRZSA-N -1 1 379.428 1.258 20 0 GDADMM C/C(=C\C(=O)N1CCCC[C@H]1CN(C)c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001573364634 947722202 /nfs/dbraw/zinc/72/22/02/947722202.db2.gz ROVHNORERXZHME-GLNPCMGASA-N -1 1 382.472 1.830 20 0 GDADMM C/C(=C\C(=O)N1CCCC[C@H]1CN(C)c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001573364634 947722210 /nfs/dbraw/zinc/72/22/10/947722210.db2.gz ROVHNORERXZHME-GLNPCMGASA-N -1 1 382.472 1.830 20 0 GDADMM CC(=O)[C@H]([N-]S(=O)(=O)c1cc(-c2nn[nH]n2)ccc1C)c1ccccc1F ZINC001573364944 947726556 /nfs/dbraw/zinc/72/65/56/947726556.db2.gz KIZSRXLTQYNAMH-INIZCTEOSA-N -1 1 389.412 1.923 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1)C(C)(F)F ZINC001573627695 947731067 /nfs/dbraw/zinc/73/10/67/947731067.db2.gz FCKLOSDGFWLRLQ-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1)C(C)(F)F ZINC001573627695 947731070 /nfs/dbraw/zinc/73/10/70/947731070.db2.gz FCKLOSDGFWLRLQ-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM CC(C(=O)N1CCCC[C@@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1)=C1CCC1 ZINC001573627904 947737896 /nfs/dbraw/zinc/73/78/96/947737896.db2.gz GVPIKOMRQADDEA-OAHLLOKOSA-N -1 1 382.472 1.974 20 0 GDADMM Cc1cc(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)ccc1O ZINC000826258733 947746211 /nfs/dbraw/zinc/74/62/11/947746211.db2.gz UNSJDJKFSLOEOQ-UHFFFAOYSA-N -1 1 395.423 1.709 20 0 GDADMM CC(=O)CCCC(=O)N(C)C[C@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001573367214 947754718 /nfs/dbraw/zinc/75/47/18/947754718.db2.gz AQIWTQZECIRWBJ-QMMMGPOBSA-N -1 1 385.881 1.995 20 0 GDADMM CC(=O)CCCC(=O)N(C)C[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001573367214 947754726 /nfs/dbraw/zinc/75/47/26/947754726.db2.gz AQIWTQZECIRWBJ-QMMMGPOBSA-N -1 1 385.881 1.995 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1nccnc1-c1nnn[n-]1)C(C)(F)F ZINC001573628543 947757706 /nfs/dbraw/zinc/75/77/06/947757706.db2.gz MSKVCHRUBIRQHQ-UTUOFQBUSA-N -1 1 392.414 1.518 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1nccnc1-c1nn[n-]n1)C(C)(F)F ZINC001573628543 947757710 /nfs/dbraw/zinc/75/77/10/947757710.db2.gz MSKVCHRUBIRQHQ-UTUOFQBUSA-N -1 1 392.414 1.518 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cncc(-c2nnn[n-]2)n1)C(C)(F)F ZINC001573629212 947775833 /nfs/dbraw/zinc/77/58/33/947775833.db2.gz RVFJYZSENOBIKN-RTXFEEFZSA-N -1 1 392.414 1.518 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cncc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001573629212 947775840 /nfs/dbraw/zinc/77/58/40/947775840.db2.gz RVFJYZSENOBIKN-RTXFEEFZSA-N -1 1 392.414 1.518 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1)c1ccco1 ZINC001573629395 947780135 /nfs/dbraw/zinc/78/01/35/947780135.db2.gz SVJBLHLUUOJLBR-OLZOCXBDSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1)c1ccco1 ZINC001573629395 947780139 /nfs/dbraw/zinc/78/01/39/947780139.db2.gz SVJBLHLUUOJLBR-OLZOCXBDSA-N -1 1 382.428 1.481 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@H]([C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573372669 947781790 /nfs/dbraw/zinc/78/17/90/947781790.db2.gz BPGYRIUUALKJES-KGLIPLIRSA-N -1 1 386.460 1.455 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@H]([C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573372669 947781796 /nfs/dbraw/zinc/78/17/96/947781796.db2.gz BPGYRIUUALKJES-KGLIPLIRSA-N -1 1 386.460 1.455 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573374242 947806543 /nfs/dbraw/zinc/80/65/43/947806543.db2.gz IPYCLVXIHIEADD-UONOGXRCSA-N -1 1 386.460 1.503 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573374242 947806555 /nfs/dbraw/zinc/80/65/55/947806555.db2.gz IPYCLVXIHIEADD-UONOGXRCSA-N -1 1 386.460 1.503 20 0 GDADMM CC(=O)CCCC(=O)N[C@@]12CCC[C@H]1N(c1nccnc1-c1nnn[n-]1)CC2 ZINC001573375284 947819367 /nfs/dbraw/zinc/81/93/67/947819367.db2.gz NOEUGIVJVISLPM-FZKQIMNGSA-N -1 1 384.444 1.034 20 0 GDADMM CC(=O)CCCC(=O)N[C@@]12CCC[C@H]1N(c1nccnc1-c1nn[n-]n1)CC2 ZINC001573375284 947819375 /nfs/dbraw/zinc/81/93/75/947819375.db2.gz NOEUGIVJVISLPM-FZKQIMNGSA-N -1 1 384.444 1.034 20 0 GDADMM CC(=O)CCCC(=O)N[C@H](C)CN(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573376162 947831599 /nfs/dbraw/zinc/83/15/99/947831599.db2.gz SFRGPJQZTUKMHC-MRVPVSSYSA-N -1 1 385.881 1.677 20 0 GDADMM CC(=O)CCCC(=O)N[C@H](C)CN(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573376162 947831609 /nfs/dbraw/zinc/83/16/09/947831609.db2.gz SFRGPJQZTUKMHC-MRVPVSSYSA-N -1 1 385.881 1.677 20 0 GDADMM CC(=O)CCCC(=O)N1CCCCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573376333 947834997 /nfs/dbraw/zinc/83/49/97/947834997.db2.gz ZCCVVKXKNKWZQD-CQSZACIVSA-N -1 1 386.460 1.021 20 0 GDADMM C[C@@H](C(=O)N1CCO[C@@H](c2cccc(F)c2)[C@@H]1C)n1cnc(-c2nn[n-]n2)n1 ZINC001573640178 947850096 /nfs/dbraw/zinc/85/00/96/947850096.db2.gz GVWKYNWCXWOZOY-COPLHBTASA-N -1 1 386.391 1.147 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573380758 947862608 /nfs/dbraw/zinc/86/26/08/947862608.db2.gz HORQZZDDGOZNLP-VIFPVBQESA-N -1 1 383.865 1.431 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573380758 947862615 /nfs/dbraw/zinc/86/26/15/947862615.db2.gz HORQZZDDGOZNLP-VIFPVBQESA-N -1 1 383.865 1.431 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)c1ccsc1 ZINC001573646416 947876656 /nfs/dbraw/zinc/87/66/56/947876656.db2.gz LZIOQOSZRSFSRH-MBNYWOFBSA-N -1 1 396.480 1.559 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)c1ccsc1 ZINC001573646416 947876663 /nfs/dbraw/zinc/87/66/63/947876663.db2.gz LZIOQOSZRSFSRH-MBNYWOFBSA-N -1 1 396.480 1.559 20 0 GDADMM CC(=O)CCCC(=O)N[C@H](C)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573384114 947900504 /nfs/dbraw/zinc/90/05/04/947900504.db2.gz HCDFCVMOSDFRKM-CYBMUJFWSA-N -1 1 386.460 1.137 20 0 GDADMM CC(=O)CCCC(=O)N[C@H](C)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573384114 947900508 /nfs/dbraw/zinc/90/05/08/947900508.db2.gz HCDFCVMOSDFRKM-CYBMUJFWSA-N -1 1 386.460 1.137 20 0 GDADMM C[C@H](C(=O)N[C@](C)(CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)C(F)(F)F ZINC001573652902 947948589 /nfs/dbraw/zinc/94/85/89/947948589.db2.gz IAXBASQJWQGDBO-XLKFXECMSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](C(=O)N[C@](C)(CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)C(F)(F)F ZINC001573652902 947948595 /nfs/dbraw/zinc/94/85/95/947948595.db2.gz IAXBASQJWQGDBO-XLKFXECMSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C(C)(C)C)c1ccco1 ZINC001573653122 947950337 /nfs/dbraw/zinc/95/03/37/947950337.db2.gz JHAXVNMVTIDLEI-BXUZGUMPSA-N -1 1 384.444 1.996 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C(C)(C)C)c1ccco1 ZINC001573653122 947950344 /nfs/dbraw/zinc/95/03/44/947950344.db2.gz JHAXVNMVTIDLEI-BXUZGUMPSA-N -1 1 384.444 1.996 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCOCC2(CC2)C1 ZINC000826328282 947955835 /nfs/dbraw/zinc/95/58/35/947955835.db2.gz MAIKKDHJMIAVAI-UHFFFAOYSA-N -1 1 396.455 1.098 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCOCC2(CC2)C1 ZINC000826328282 947955840 /nfs/dbraw/zinc/95/58/40/947955840.db2.gz MAIKKDHJMIAVAI-UHFFFAOYSA-N -1 1 396.455 1.098 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OCc1cnns1 ZINC000826328405 947956612 /nfs/dbraw/zinc/95/66/12/947956612.db2.gz QEZGIGVXCLMARV-UHFFFAOYSA-N -1 1 385.413 1.054 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OCc1cnns1 ZINC000826328405 947956622 /nfs/dbraw/zinc/95/66/22/947956622.db2.gz QEZGIGVXCLMARV-UHFFFAOYSA-N -1 1 385.413 1.054 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)c1ccsc1 ZINC001573653958 947962114 /nfs/dbraw/zinc/96/21/14/947962114.db2.gz OSVWREFUVBTFJW-HZMBPMFUSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)c1ccsc1 ZINC001573653958 947962124 /nfs/dbraw/zinc/96/21/24/947962124.db2.gz OSVWREFUVBTFJW-HZMBPMFUSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)N[C@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1)c1cccs1 ZINC001573658153 948008124 /nfs/dbraw/zinc/00/81/24/948008124.db2.gz QRTFWZFUBMMUCI-APPDUMDISA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)N[C@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1)c1cccs1 ZINC001573658153 948008130 /nfs/dbraw/zinc/00/81/30/948008130.db2.gz QRTFWZFUBMMUCI-APPDUMDISA-N -1 1 384.469 1.607 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@H](CNC(=O)C(C)(C)C)C2)c1-c1nnn[n-]1 ZINC000826344836 948014437 /nfs/dbraw/zinc/01/44/37/948014437.db2.gz UAPCMJAENHOEKE-GFCCVEGCSA-N -1 1 389.460 1.107 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@H](CNC(=O)C(C)(C)C)C2)c1-c1nn[n-]n1 ZINC000826344836 948014446 /nfs/dbraw/zinc/01/44/46/948014446.db2.gz UAPCMJAENHOEKE-GFCCVEGCSA-N -1 1 389.460 1.107 20 0 GDADMM C[C@H](C(=O)NC1(CNc2nccnc2-c2nnn[n-]2)CCCC1)[C@@H]1CCCO1 ZINC001573662809 948029689 /nfs/dbraw/zinc/02/96/89/948029689.db2.gz GYYZXKHOBLYRDW-STQMWFEESA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](C(=O)NC1(CNc2nccnc2-c2nn[n-]n2)CCCC1)[C@@H]1CCCO1 ZINC001573662809 948029698 /nfs/dbraw/zinc/02/96/98/948029698.db2.gz GYYZXKHOBLYRDW-STQMWFEESA-N -1 1 386.460 1.313 20 0 GDADMM Cc1onc(CC(=O)NC2(C(=O)OC(C)(C)C)CCCC2)c1-c1nnn[n-]1 ZINC000826346015 948033348 /nfs/dbraw/zinc/03/33/48/948033348.db2.gz AKPJHFBULQTZTH-UHFFFAOYSA-N -1 1 376.417 1.476 20 0 GDADMM Cc1onc(CC(=O)NC2(C(=O)OC(C)(C)C)CCCC2)c1-c1nn[n-]n1 ZINC000826346015 948033355 /nfs/dbraw/zinc/03/33/55/948033355.db2.gz AKPJHFBULQTZTH-UHFFFAOYSA-N -1 1 376.417 1.476 20 0 GDADMM Cc1onc(CC(=O)NC[C@H](O)c2c(F)cccc2Cl)c1-c1nnn[n-]1 ZINC000826347468 948055704 /nfs/dbraw/zinc/05/57/04/948055704.db2.gz SFJCWDILCQLEKN-NSHDSACASA-N -1 1 380.767 1.348 20 0 GDADMM Cc1onc(CC(=O)NC[C@H](O)c2c(F)cccc2Cl)c1-c1nn[n-]n1 ZINC000826347468 948055715 /nfs/dbraw/zinc/05/57/15/948055715.db2.gz SFJCWDILCQLEKN-NSHDSACASA-N -1 1 380.767 1.348 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1)C1CCCC1 ZINC001573664446 948055806 /nfs/dbraw/zinc/05/58/06/948055806.db2.gz DNAJRDNWKLCLGP-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1)C1CCCC1 ZINC001573664446 948055813 /nfs/dbraw/zinc/05/58/13/948055813.db2.gz DNAJRDNWKLCLGP-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM Cc1onc(CC(=O)NCCOc2ncccc2C(F)(F)F)c1-c1nnn[n-]1 ZINC000826347723 948057837 /nfs/dbraw/zinc/05/78/37/948057837.db2.gz BSCQIEGNWHYBKJ-UHFFFAOYSA-N -1 1 397.317 1.315 20 0 GDADMM Cc1onc(CC(=O)NCCOc2ncccc2C(F)(F)F)c1-c1nn[n-]n1 ZINC000826347723 948057848 /nfs/dbraw/zinc/05/78/48/948057848.db2.gz BSCQIEGNWHYBKJ-UHFFFAOYSA-N -1 1 397.317 1.315 20 0 GDADMM Cc1onc(CC(=O)NCc2cccnc2OC2CCCC2)c1-c1nnn[n-]1 ZINC000826347802 948060703 /nfs/dbraw/zinc/06/07/03/948060703.db2.gz GRRWMLBMUWZHQN-UHFFFAOYSA-N -1 1 383.412 1.738 20 0 GDADMM Cc1onc(CC(=O)NCc2cccnc2OC2CCCC2)c1-c1nn[n-]n1 ZINC000826347802 948060711 /nfs/dbraw/zinc/06/07/11/948060711.db2.gz GRRWMLBMUWZHQN-UHFFFAOYSA-N -1 1 383.412 1.738 20 0 GDADMM Cc1onc(CC(=O)NCCc2coc(-c3ccc(F)cc3)n2)c1-c1nnn[n-]1 ZINC000826347735 948060903 /nfs/dbraw/zinc/06/09/03/948060903.db2.gz CNSBZVZXJSUDML-UHFFFAOYSA-N -1 1 397.370 1.859 20 0 GDADMM Cc1onc(CC(=O)NCCc2coc(-c3ccc(F)cc3)n2)c1-c1nn[n-]n1 ZINC000826347735 948060913 /nfs/dbraw/zinc/06/09/13/948060913.db2.gz CNSBZVZXJSUDML-UHFFFAOYSA-N -1 1 397.370 1.859 20 0 GDADMM Cc1onc(CC(=O)NCCc2nc3ccc(F)cc3n2C)c1-c1nnn[n-]1 ZINC000826347871 948062568 /nfs/dbraw/zinc/06/25/68/948062568.db2.gz JRTSCLJXAQBQOO-UHFFFAOYSA-N -1 1 384.375 1.090 20 0 GDADMM Cc1onc(CC(=O)NCCc2nc3ccc(F)cc3n2C)c1-c1nn[n-]n1 ZINC000826347871 948062579 /nfs/dbraw/zinc/06/25/79/948062579.db2.gz JRTSCLJXAQBQOO-UHFFFAOYSA-N -1 1 384.375 1.090 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C1CCCC1 ZINC001573666220 948081283 /nfs/dbraw/zinc/08/12/83/948081283.db2.gz RCLFEZWVMWINOO-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C1CCCC1 ZINC001573666220 948081288 /nfs/dbraw/zinc/08/12/88/948081288.db2.gz RCLFEZWVMWINOO-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cccs1 ZINC001573666726 948090853 /nfs/dbraw/zinc/09/08/53/948090853.db2.gz VSFFINSXQQSDSX-NWDGAFQWSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cccs1 ZINC001573666726 948090861 /nfs/dbraw/zinc/09/08/61/948090861.db2.gz VSFFINSXQQSDSX-NWDGAFQWSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)NC1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1)n1cccc1 ZINC001573667144 948093480 /nfs/dbraw/zinc/09/34/80/948093480.db2.gz YGDOCUUIPPIZNP-HSBZDZAISA-N -1 1 381.444 1.559 20 0 GDADMM C[C@@H](C(=O)NC1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1)n1cccc1 ZINC001573667144 948093484 /nfs/dbraw/zinc/09/34/84/948093484.db2.gz YGDOCUUIPPIZNP-HSBZDZAISA-N -1 1 381.444 1.559 20 0 GDADMM C[C@@H](C(=O)NC1CCC(Nc2nccnc2-c2nnn[n-]2)CC1)c1ccco1 ZINC001573667467 948100400 /nfs/dbraw/zinc/10/04/00/948100400.db2.gz ZWULIEHKTYDVLX-PNESKVBLSA-N -1 1 382.428 1.893 20 0 GDADMM C[C@@H](C(=O)NC1CCC(Nc2nccnc2-c2nn[n-]n2)CC1)c1ccco1 ZINC001573667467 948100407 /nfs/dbraw/zinc/10/04/07/948100407.db2.gz ZWULIEHKTYDVLX-PNESKVBLSA-N -1 1 382.428 1.893 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1)C(C)(F)F ZINC001573673363 948113245 /nfs/dbraw/zinc/11/32/45/948113245.db2.gz KREOMTKRQIBLKU-RNFRBKRXSA-N -1 1 391.835 1.963 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccccc1F ZINC001573677090 948132653 /nfs/dbraw/zinc/13/26/53/948132653.db2.gz VSRWHKNWTUJSEF-NEPJUHHUSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccccc1F ZINC001573677090 948132655 /nfs/dbraw/zinc/13/26/55/948132655.db2.gz VSRWHKNWTUJSEF-NEPJUHHUSA-N -1 1 382.403 1.294 20 0 GDADMM CC(=O)N1CC[C@@H](NC(=O)Nc2ccnc(-c3nnn[n-]3)c2)c2ccccc21 ZINC001573433042 948196981 /nfs/dbraw/zinc/19/69/81/948196981.db2.gz IZFSGGUYXLGFNG-CQSZACIVSA-N -1 1 378.396 1.881 20 0 GDADMM CC(=O)N1CC[C@@H](NC(=O)Nc2ccnc(-c3nn[n-]n3)c2)c2ccccc21 ZINC001573433042 948196990 /nfs/dbraw/zinc/19/69/90/948196990.db2.gz IZFSGGUYXLGFNG-CQSZACIVSA-N -1 1 378.396 1.881 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCOCC1)C(C)(C)C ZINC001573691350 948238473 /nfs/dbraw/zinc/23/84/73/948238473.db2.gz FRNIUIFSRJXTET-GFCCVEGCSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCOCC1)C(C)(C)C ZINC001573691350 948238486 /nfs/dbraw/zinc/23/84/86/948238486.db2.gz FRNIUIFSRJXTET-GFCCVEGCSA-N -1 1 388.476 1.416 20 0 GDADMM CC(=O)N1CCC2(CC1)CN(c1snc(Cl)c1-c1nnn[n-]1)CCO2 ZINC001573439198 948244480 /nfs/dbraw/zinc/24/44/80/948244480.db2.gz IZBMMGPLMQAZRV-UHFFFAOYSA-N -1 1 383.865 1.194 20 0 GDADMM CC(=O)N1CCC2(CC1)CN(c1snc(Cl)c1-c1nn[n-]n1)CCO2 ZINC001573439198 948244489 /nfs/dbraw/zinc/24/44/89/948244489.db2.gz IZBMMGPLMQAZRV-UHFFFAOYSA-N -1 1 383.865 1.194 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCC1)c1ccsc1 ZINC001573691697 948245448 /nfs/dbraw/zinc/24/54/48/948245448.db2.gz IEQMVWDPBJTOSL-LLVKDONJSA-N -1 1 384.469 1.395 20 0 GDADMM C[C@H](C(=O)NCC1=CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)c1cccnc1 ZINC001573693688 948284769 /nfs/dbraw/zinc/28/47/69/948284769.db2.gz ATAPZZYUYJVMCT-ZDUSSCGKSA-N -1 1 391.439 1.108 20 0 GDADMM C[C@H](C(=O)NCC1=CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)c1cccnc1 ZINC001573693688 948284776 /nfs/dbraw/zinc/28/47/76/948284776.db2.gz ATAPZZYUYJVMCT-ZDUSSCGKSA-N -1 1 391.439 1.108 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)c1cccs1 ZINC001573702572 948347329 /nfs/dbraw/zinc/34/73/29/948347329.db2.gz FQIPLSADDZJMGN-NEPJUHHUSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)c1cccs1 ZINC001573702572 948347334 /nfs/dbraw/zinc/34/73/34/948347334.db2.gz FQIPLSADDZJMGN-NEPJUHHUSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001573704003 948362172 /nfs/dbraw/zinc/36/21/72/948362172.db2.gz NWUASGIGELRHKL-ZJUUUORDSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573704003 948362181 /nfs/dbraw/zinc/36/21/81/948362181.db2.gz NWUASGIGELRHKL-ZJUUUORDSA-N -1 1 384.366 1.330 20 0 GDADMM O=C(c1cccc(NCc2ccnc(-c3nnn[n-]3)c2)c1)N1CCC[C@H](O)C1 ZINC000826474215 948373717 /nfs/dbraw/zinc/37/37/17/948373717.db2.gz GQSOACJJGGRUJQ-INIZCTEOSA-N -1 1 379.424 1.471 20 0 GDADMM O=C(c1cccc(NCc2ccnc(-c3nn[n-]n3)c2)c1)N1CCC[C@H](O)C1 ZINC000826474215 948373724 /nfs/dbraw/zinc/37/37/24/948373724.db2.gz GQSOACJJGGRUJQ-INIZCTEOSA-N -1 1 379.424 1.471 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1)C1CC1 ZINC001573705080 948392009 /nfs/dbraw/zinc/39/20/09/948392009.db2.gz CPKJWRVBADYKFW-AAEUAGOBSA-N -1 1 376.486 1.291 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CC[C@@H](Cc2ccncc2)C1 ZINC000826495345 948409287 /nfs/dbraw/zinc/40/92/87/948409287.db2.gz MOTZEZMNEJRUIH-ZDUSSCGKSA-N -1 1 388.428 1.654 20 0 GDADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2)cc1F ZINC001339504922 948504114 /nfs/dbraw/zinc/50/41/14/948504114.db2.gz CMLRIJUXQDGGAA-UHFFFAOYSA-N -1 1 376.373 1.765 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1nc(Cl)c(-c2nnn[n-]2)s1)C(F)(F)F ZINC001573720341 948532032 /nfs/dbraw/zinc/53/20/32/948532032.db2.gz QPPAHSFRLDOHNO-RXMQYKEDSA-N -1 1 383.787 1.727 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1nc(Cl)c(-c2nn[n-]n2)s1)C(F)(F)F ZINC001573720341 948532038 /nfs/dbraw/zinc/53/20/38/948532038.db2.gz QPPAHSFRLDOHNO-RXMQYKEDSA-N -1 1 383.787 1.727 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cccs1 ZINC001573730042 948575795 /nfs/dbraw/zinc/57/57/95/948575795.db2.gz KVLPKLKYFCJFMW-IJLUTSLNSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cccs1 ZINC001573730042 948575801 /nfs/dbraw/zinc/57/58/01/948575801.db2.gz KVLPKLKYFCJFMW-IJLUTSLNSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)C(C)(F)F ZINC001573740423 948634537 /nfs/dbraw/zinc/63/45/37/948634537.db2.gz OPJJNDNSXNVURM-BFLSOPEQSA-N -1 1 378.387 1.174 20 0 GDADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001573740423 948634545 /nfs/dbraw/zinc/63/45/45/948634545.db2.gz OPJJNDNSXNVURM-BFLSOPEQSA-N -1 1 378.387 1.174 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1)c1ccco1 ZINC001573741008 948647087 /nfs/dbraw/zinc/64/70/87/948647087.db2.gz WRLXFRDDQMKTOH-LPWJVIDDSA-N -1 1 380.412 1.279 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573752599 948713625 /nfs/dbraw/zinc/71/36/25/948713625.db2.gz OWOKPIWYSDJIKT-JXUBOQSCSA-N -1 1 382.350 1.081 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1)C(C)(F)F ZINC001573752539 948713770 /nfs/dbraw/zinc/71/37/70/948713770.db2.gz NWGUIYVUALZCQU-VLEAKVRGSA-N -1 1 378.387 1.174 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1)C(C)(F)F ZINC001573752539 948713774 /nfs/dbraw/zinc/71/37/74/948713774.db2.gz NWGUIYVUALZCQU-VLEAKVRGSA-N -1 1 378.387 1.174 20 0 GDADMM CC(C)c1ccc(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)nc1 ZINC001574416477 948748553 /nfs/dbraw/zinc/74/85/53/948748553.db2.gz VBZMBSNKKGFZKD-CYBMUJFWSA-N -1 1 379.428 1.502 20 0 GDADMM CC(C)c1ccc(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)nc1 ZINC001574416477 948748565 /nfs/dbraw/zinc/74/85/65/948748565.db2.gz VBZMBSNKKGFZKD-CYBMUJFWSA-N -1 1 379.428 1.502 20 0 GDADMM CC(C)c1ccc(C(=O)N(C)CCN(C)c2ccnc(-c3nn[n-]n3)n2)nc1 ZINC001574416524 948748746 /nfs/dbraw/zinc/74/87/46/948748746.db2.gz WVUQSXDQYDWHNN-UHFFFAOYSA-N -1 1 381.444 1.384 20 0 GDADMM CC(C)c1ccc(C(=O)NC[C@@H](C)N(C)c2ccc(-c3nnn[n-]3)nn2)nc1 ZINC001574416588 948752411 /nfs/dbraw/zinc/75/24/11/948752411.db2.gz ZAEULVVSVBHNLU-GFCCVEGCSA-N -1 1 381.444 1.430 20 0 GDADMM CC(C)c1ccc(C(=O)NC[C@@H](C)N(C)c2ccc(-c3nn[n-]n3)nn2)nc1 ZINC001574416588 948752421 /nfs/dbraw/zinc/75/24/21/948752421.db2.gz ZAEULVVSVBHNLU-GFCCVEGCSA-N -1 1 381.444 1.430 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@H]2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001575222236 948754042 /nfs/dbraw/zinc/75/40/42/948754042.db2.gz HDUBSHPXPDTWHU-WDEREUQCSA-N -1 1 392.414 1.789 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@H]2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001575222236 948754052 /nfs/dbraw/zinc/75/40/52/948754052.db2.gz HDUBSHPXPDTWHU-WDEREUQCSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CCc2cccnc21 ZINC001574678720 948756133 /nfs/dbraw/zinc/75/61/33/948756133.db2.gz IHRJFCUUOGIBDV-DGCLKSJQSA-N -1 1 379.428 1.088 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCc2cccnc21 ZINC001574678720 948756145 /nfs/dbraw/zinc/75/61/45/948756145.db2.gz IHRJFCUUOGIBDV-DGCLKSJQSA-N -1 1 379.428 1.088 20 0 GDADMM C[C@@H](CNC(=O)CCc1cc(Cl)cs1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574915117 948761693 /nfs/dbraw/zinc/76/16/93/948761693.db2.gz QYTBWXPMNXGEII-VIFPVBQESA-N -1 1 392.876 1.921 20 0 GDADMM C[C@@H](CNC(=O)CCc1cc(Cl)cs1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574915117 948761701 /nfs/dbraw/zinc/76/17/01/948761701.db2.gz QYTBWXPMNXGEII-VIFPVBQESA-N -1 1 392.876 1.921 20 0 GDADMM CC(C)[C@@H](F)C(=O)N[C@@H]1[C@H]2CN(c3snc(Cl)c3-c3nnn[n-]3)C[C@H]21 ZINC001574079473 948772228 /nfs/dbraw/zinc/77/22/28/948772228.db2.gz JOYLLFRWPPRXJE-KDDQHCCQSA-N -1 1 385.856 1.522 20 0 GDADMM CC(C)[C@@H](F)C(=O)N[C@@H]1[C@H]2CN(c3snc(Cl)c3-c3nn[n-]n3)C[C@H]21 ZINC001574079473 948772244 /nfs/dbraw/zinc/77/22/44/948772244.db2.gz JOYLLFRWPPRXJE-KDDQHCCQSA-N -1 1 385.856 1.522 20 0 GDADMM C[C@H](C(=O)Nc1ncc(C2CCOCC2)s1)n1cnc(-c2nn[n-]n2)n1 ZINC001573755697 948777448 /nfs/dbraw/zinc/77/74/48/948777448.db2.gz SMAMCHSSQFFVDF-MRVPVSSYSA-N -1 1 375.418 1.008 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001574679357 948777777 /nfs/dbraw/zinc/77/77/77/948777777.db2.gz UCCRKLOYZJRIGG-KWCYVHTRSA-N -1 1 386.460 1.026 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001574679357 948777786 /nfs/dbraw/zinc/77/77/86/948777786.db2.gz UCCRKLOYZJRIGG-KWCYVHTRSA-N -1 1 386.460 1.026 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@@H](C)[C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001574418551 948781348 /nfs/dbraw/zinc/78/13/48/948781348.db2.gz YGDSJKWRRRCYQM-NEPJUHHUSA-N -1 1 381.444 1.794 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@@H](C)[C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001574418551 948781358 /nfs/dbraw/zinc/78/13/58/948781358.db2.gz YGDSJKWRRRCYQM-NEPJUHHUSA-N -1 1 381.444 1.794 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CC[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001575224323 948782482 /nfs/dbraw/zinc/78/24/82/948782482.db2.gz TXVFIIHVRPJULO-MNOVXSKESA-N -1 1 392.414 1.789 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CC[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001575224323 948782494 /nfs/dbraw/zinc/78/24/94/948782494.db2.gz TXVFIIHVRPJULO-MNOVXSKESA-N -1 1 392.414 1.789 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1noc2c1CCCC2 ZINC001574679896 948793222 /nfs/dbraw/zinc/79/32/22/948793222.db2.gz AZWOBHZQOYFPMY-JTQLQIEISA-N -1 1 383.416 1.144 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1noc2c1CCCC2 ZINC001574679896 948793237 /nfs/dbraw/zinc/79/32/37/948793237.db2.gz AZWOBHZQOYFPMY-JTQLQIEISA-N -1 1 383.416 1.144 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C2CC2)CC1 ZINC001575224780 948794705 /nfs/dbraw/zinc/79/47/05/948794705.db2.gz YUMOSJXWULOPEO-SNVBAGLBSA-N -1 1 378.387 1.399 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C2CC2)CC1 ZINC001575224780 948794716 /nfs/dbraw/zinc/79/47/16/948794716.db2.gz YUMOSJXWULOPEO-SNVBAGLBSA-N -1 1 378.387 1.399 20 0 GDADMM CC(C)[C@@H](F)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001574080814 948807111 /nfs/dbraw/zinc/80/71/11/948807111.db2.gz NTZQJEJTGVPRRR-OQMKEHIESA-N -1 1 388.451 1.514 20 0 GDADMM CC(C)[C@@H](F)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001574080814 948807125 /nfs/dbraw/zinc/80/71/25/948807125.db2.gz NTZQJEJTGVPRRR-OQMKEHIESA-N -1 1 388.451 1.514 20 0 GDADMM CC(C)c1ccoc1C(=O)NCC1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574421059 948811562 /nfs/dbraw/zinc/81/15/62/948811562.db2.gz FNNGCVCMYJHYAO-UHFFFAOYSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1ccoc1C(=O)NCC1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574421059 948811577 /nfs/dbraw/zinc/81/15/77/948811577.db2.gz FNNGCVCMYJHYAO-UHFFFAOYSA-N -1 1 382.428 1.994 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001574680919 948812751 /nfs/dbraw/zinc/81/27/51/948812751.db2.gz KCKZCUOKIKGEAZ-WCFLWFBJSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001574680919 948812778 /nfs/dbraw/zinc/81/27/78/948812778.db2.gz KCKZCUOKIKGEAZ-WCFLWFBJSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](CNC(=O)CCCc1cccnc1)CNc1nccnc1-c1nnn[n-]1 ZINC001574917783 948828818 /nfs/dbraw/zinc/82/88/18/948828818.db2.gz BIMLKTNIDABWIM-ZDUSSCGKSA-N -1 1 381.444 1.239 20 0 GDADMM C[C@@H](CNC(=O)CCCc1cccnc1)CNc1nccnc1-c1nn[n-]n1 ZINC001574917783 948828833 /nfs/dbraw/zinc/82/88/33/948828833.db2.gz BIMLKTNIDABWIM-ZDUSSCGKSA-N -1 1 381.444 1.239 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1COc2ccccc21 ZINC001574682801 948830051 /nfs/dbraw/zinc/83/00/51/948830051.db2.gz RHUIZSPXUPFPMK-AAEUAGOBSA-N -1 1 380.412 1.140 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1COc2ccccc21 ZINC001574682801 948830070 /nfs/dbraw/zinc/83/00/70/948830070.db2.gz RHUIZSPXUPFPMK-AAEUAGOBSA-N -1 1 380.412 1.140 20 0 GDADMM CC(F)(F)CC(=O)N1CCCC[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001575227754 948834634 /nfs/dbraw/zinc/83/46/34/948834634.db2.gz ZKGMPYKDJPFDHQ-NSHDSACASA-N -1 1 380.403 1.885 20 0 GDADMM CC(F)(F)CC(=O)N1CCCC[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001575227754 948834650 /nfs/dbraw/zinc/83/46/50/948834650.db2.gz ZKGMPYKDJPFDHQ-NSHDSACASA-N -1 1 380.403 1.885 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1)C(F)F ZINC001573761751 948847566 /nfs/dbraw/zinc/84/75/66/948847566.db2.gz LZGQMGNNNWMNHQ-JTQLQIEISA-N -1 1 380.403 1.599 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1)C(F)F ZINC001573761751 948847583 /nfs/dbraw/zinc/84/75/83/948847583.db2.gz LZGQMGNNNWMNHQ-JTQLQIEISA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)[C@@]1(F)CCOC1 ZINC001574684061 948854246 /nfs/dbraw/zinc/85/42/46/948854246.db2.gz AQEXIYWJUDWEJY-WPPNPWJKSA-N -1 1 389.844 1.412 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)[C@@]1(F)CCOC1 ZINC001574684061 948854260 /nfs/dbraw/zinc/85/42/60/948854260.db2.gz AQEXIYWJUDWEJY-WPPNPWJKSA-N -1 1 389.844 1.412 20 0 GDADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@@H]1CC1(F)F ZINC001574684551 948871318 /nfs/dbraw/zinc/87/13/18/948871318.db2.gz ICEQYJOAZUIZRS-RITPCOANSA-N -1 1 377.808 1.939 20 0 GDADMM CC(C)c1nc(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)cs1 ZINC001574425492 948874821 /nfs/dbraw/zinc/87/48/21/948874821.db2.gz GECAMNGFJGQYEC-MGCOHNPYSA-N -1 1 385.457 1.610 20 0 GDADMM CC(C)c1nc(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)cs1 ZINC001574425492 948874845 /nfs/dbraw/zinc/87/48/45/948874845.db2.gz GECAMNGFJGQYEC-MGCOHNPYSA-N -1 1 385.457 1.610 20 0 GDADMM C[C@@H](CNC(=O)CCCc1ccccc1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574919359 948875242 /nfs/dbraw/zinc/87/52/42/948875242.db2.gz XMGHGFRSCXMQLC-AWEZNQCLSA-N -1 1 380.456 1.621 20 0 GDADMM C[C@@H](CNC(=O)CCCc1ccccc1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574919359 948875264 /nfs/dbraw/zinc/87/52/64/948875264.db2.gz XMGHGFRSCXMQLC-AWEZNQCLSA-N -1 1 380.456 1.621 20 0 GDADMM CC(C)c1nc(C(=O)NCC2(Nc3cncc(-c4nnn[n-]4)n3)CC2)cs1 ZINC001574425489 948876057 /nfs/dbraw/zinc/87/60/57/948876057.db2.gz GCEKKHWGMDXMNU-UHFFFAOYSA-N -1 1 385.457 1.611 20 0 GDADMM CC(C)c1nc(C(=O)NCC2(Nc3cncc(-c4nn[n-]n4)n3)CC2)cs1 ZINC001574425489 948876077 /nfs/dbraw/zinc/87/60/77/948876077.db2.gz GCEKKHWGMDXMNU-UHFFFAOYSA-N -1 1 385.457 1.611 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)[C@@H]1CCCCO1 ZINC001573763771 948878850 /nfs/dbraw/zinc/87/88/50/948878850.db2.gz HFHHWJWQVACBLX-JSGCOSHPSA-N -1 1 386.460 1.265 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)[C@@H]1CCCCO1 ZINC001573763771 948878865 /nfs/dbraw/zinc/87/88/65/948878865.db2.gz HFHHWJWQVACBLX-JSGCOSHPSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@@H]1CCCOC1 ZINC001574684809 948885841 /nfs/dbraw/zinc/88/58/41/948885841.db2.gz MYTXRDLWLNRJEU-RKDXNWHRSA-N -1 1 385.881 1.710 20 0 GDADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)Cc1ncc[nH]1 ZINC001574684862 948892310 /nfs/dbraw/zinc/89/23/10/948892310.db2.gz NZGKELOJHSDYGW-SSDOTTSWSA-N -1 1 381.853 1.249 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H]2[C@H](CCN2c2nccnc2-c2nnn[n-]2)C1)C(F)F ZINC001573765045 948897836 /nfs/dbraw/zinc/89/78/36/948897836.db2.gz UXJAJQGRPRNYRB-GHMZBOCLSA-N -1 1 392.414 1.375 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H]2[C@H](CCN2c2nccnc2-c2nn[n-]n2)C1)C(F)F ZINC001573765045 948897850 /nfs/dbraw/zinc/89/78/50/948897850.db2.gz UXJAJQGRPRNYRB-GHMZBOCLSA-N -1 1 392.414 1.375 20 0 GDADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)c1cccn1C ZINC001574685007 948900893 /nfs/dbraw/zinc/90/08/93/948900893.db2.gz QVEMDQPJNMESEJ-QMMMGPOBSA-N -1 1 380.865 1.936 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@@H]2[C@@H](CCN2c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575234821 948908979 /nfs/dbraw/zinc/90/89/79/948908979.db2.gz GSEAWOMZDMZIIC-WCQYABFASA-N -1 1 392.414 1.519 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@@H]2[C@@H](CCN2c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575234821 948908996 /nfs/dbraw/zinc/90/89/96/948908996.db2.gz GSEAWOMZDMZIIC-WCQYABFASA-N -1 1 392.414 1.519 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001575235536 948923621 /nfs/dbraw/zinc/92/36/21/948923621.db2.gz NYVVPXPYUIPKDV-NSHDSACASA-N -1 1 380.403 1.743 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001575235536 948923629 /nfs/dbraw/zinc/92/36/29/948923629.db2.gz NYVVPXPYUIPKDV-NSHDSACASA-N -1 1 380.403 1.743 20 0 GDADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001574088882 948938311 /nfs/dbraw/zinc/93/83/11/948938311.db2.gz GUEAOBNRYYGDAA-ZYKCCNLVSA-N -1 1 382.472 1.519 20 0 GDADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001574088882 948938316 /nfs/dbraw/zinc/93/83/16/948938316.db2.gz GUEAOBNRYYGDAA-ZYKCCNLVSA-N -1 1 382.472 1.519 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001573771302 948940180 /nfs/dbraw/zinc/94/01/80/948940180.db2.gz FNOVWZWASAXTJB-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001573771302 948940186 /nfs/dbraw/zinc/94/01/86/948940186.db2.gz FNOVWZWASAXTJB-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573771842 948946558 /nfs/dbraw/zinc/94/65/58/948946558.db2.gz MHLNJJMJMVHYIA-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001575237510 948948205 /nfs/dbraw/zinc/94/82/05/948948205.db2.gz GWDTWQRTTJDPQP-GFCCVEGCSA-N -1 1 392.414 1.567 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001575237510 948948214 /nfs/dbraw/zinc/94/82/14/948948214.db2.gz GWDTWQRTTJDPQP-GFCCVEGCSA-N -1 1 392.414 1.567 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2 ZINC001575237995 948952156 /nfs/dbraw/zinc/95/21/56/948952156.db2.gz KJTOCUKTRPHGKW-WDEREUQCSA-N -1 1 392.414 1.353 20 0 GDADMM CC(C)(C(=O)N[C@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nn1)CC2)C(F)F ZINC001573772247 948955268 /nfs/dbraw/zinc/95/52/68/948955268.db2.gz RSGCWTWNZGJQOU-NSHDSACASA-N -1 1 392.414 1.423 20 0 GDADMM CC(C)(C(=O)N[C@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nn1)CC2)C(F)F ZINC001573772247 948955276 /nfs/dbraw/zinc/95/52/76/948955276.db2.gz RSGCWTWNZGJQOU-NSHDSACASA-N -1 1 392.414 1.423 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001575239081 948957896 /nfs/dbraw/zinc/95/78/96/948957896.db2.gz QIXFXVMYUMOYHL-GHMZBOCLSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001575239081 948957907 /nfs/dbraw/zinc/95/79/07/948957907.db2.gz QIXFXVMYUMOYHL-GHMZBOCLSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CCC(=O)NC[C@H]1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001575239079 948958901 /nfs/dbraw/zinc/95/89/01/948958901.db2.gz QEJNNWGODSDCSL-WDEREUQCSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CCC(=O)NC[C@H]1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001575239079 948958912 /nfs/dbraw/zinc/95/89/12/948958912.db2.gz QEJNNWGODSDCSL-WDEREUQCSA-N -1 1 380.403 1.789 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@@H](C)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574433853 948968315 /nfs/dbraw/zinc/96/83/15/948968315.db2.gz SUAGBAVYJBJPNS-UWVGGRQHSA-N -1 1 387.473 1.277 20 0 GDADMM CC(C)c1nnc2n1CCN(C(=O)NCc1ccc(-c3nn[n-]n3)s1)[C@@H]2C ZINC001574434968 948987271 /nfs/dbraw/zinc/98/72/71/948987271.db2.gz NMEYRFALKVZGLD-SNVBAGLBSA-N -1 1 387.473 1.930 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)C(C)(C)c1ccccc1 ZINC001574689735 948991844 /nfs/dbraw/zinc/99/18/44/948991844.db2.gz KTEVLBWHFYERGT-CYBMUJFWSA-N -1 1 380.456 1.941 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)C(C)(C)c1ccccc1 ZINC001574689735 948991853 /nfs/dbraw/zinc/99/18/53/948991853.db2.gz KTEVLBWHFYERGT-CYBMUJFWSA-N -1 1 380.456 1.941 20 0 GDADMM CC(C)c1nnsc1C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001574439142 949001669 /nfs/dbraw/zinc/00/16/69/949001669.db2.gz ARVIDEHFCKCWLX-UHFFFAOYSA-N -1 1 386.445 1.006 20 0 GDADMM CC(C)c1nnsc1C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001574439142 949001682 /nfs/dbraw/zinc/00/16/82/949001682.db2.gz ARVIDEHFCKCWLX-UHFFFAOYSA-N -1 1 386.445 1.006 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H](C)Oc1ccccc1 ZINC001574691428 949024597 /nfs/dbraw/zinc/02/45/97/949024597.db2.gz XQEXDQCXKTZQHL-CHWSQXEVSA-N -1 1 382.428 1.431 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H](C)Oc1ccccc1 ZINC001574691428 949024618 /nfs/dbraw/zinc/02/46/18/949024618.db2.gz XQEXDQCXKTZQHL-CHWSQXEVSA-N -1 1 382.428 1.431 20 0 GDADMM CC(C)(C(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C1CCCC1 ZINC001573774901 949027094 /nfs/dbraw/zinc/02/70/94/949027094.db2.gz YEUJPYYEHZMCRZ-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C1CCCC1 ZINC001573774901 949027114 /nfs/dbraw/zinc/02/71/14/949027114.db2.gz YEUJPYYEHZMCRZ-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1)C1CCOCC1 ZINC001573774886 949027330 /nfs/dbraw/zinc/02/73/30/949027330.db2.gz YANUWWZNEOMLDV-UHFFFAOYSA-N -1 1 390.513 1.681 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)C1CCC1 ZINC001573778950 949050804 /nfs/dbraw/zinc/05/08/04/949050804.db2.gz ALNSSBBEVWLCGA-ZSOGYDGISA-N -1 1 382.472 1.281 20 0 GDADMM CC(C)c1occc1C(=O)N1C[C@@H](C)[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574441153 949051326 /nfs/dbraw/zinc/05/13/26/949051326.db2.gz GCGQWXRSJLAJEG-YPMHNXCESA-N -1 1 382.428 1.946 20 0 GDADMM CC(C)c1occc1C(=O)N1C[C@@H](C)[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574441153 949051345 /nfs/dbraw/zinc/05/13/45/949051345.db2.gz GCGQWXRSJLAJEG-YPMHNXCESA-N -1 1 382.428 1.946 20 0 GDADMM CC(C)[C@]1(C)C[C@@H]1C(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001574092448 949059739 /nfs/dbraw/zinc/05/97/39/949059739.db2.gz RYXLMMHCHSNDOA-QJNYJZHLSA-N -1 1 382.472 1.234 20 0 GDADMM CC(C)[C@]1(C)C[C@@H]1C(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001574092448 949059757 /nfs/dbraw/zinc/05/97/57/949059757.db2.gz RYXLMMHCHSNDOA-QJNYJZHLSA-N -1 1 382.472 1.234 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573780029 949077593 /nfs/dbraw/zinc/07/75/93/949077593.db2.gz QDIWKMXNTAXWMR-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](NC(=O)C1(C(F)F)CC1)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575249030 949084286 /nfs/dbraw/zinc/08/42/86/949084286.db2.gz AOWOFMLVYREAGY-QWRGUYRKSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@H](NC(=O)C1(C(F)F)CC1)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575249030 949084300 /nfs/dbraw/zinc/08/43/00/949084300.db2.gz AOWOFMLVYREAGY-QWRGUYRKSA-N -1 1 392.414 1.423 20 0 GDADMM CC(C)c1nocc1C(=O)NCC1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574442152 949090502 /nfs/dbraw/zinc/09/05/02/949090502.db2.gz KVQVNYVDDGVSCD-UHFFFAOYSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1nocc1C(=O)NCC1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574442152 949090520 /nfs/dbraw/zinc/09/05/20/949090520.db2.gz KVQVNYVDDGVSCD-UHFFFAOYSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)(C(=O)NCC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)C1CCC1 ZINC001573781120 949097518 /nfs/dbraw/zinc/09/75/18/949097518.db2.gz CJEJABBJBOMIEH-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C(=O)NCC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)C1CCC1 ZINC001573781120 949097542 /nfs/dbraw/zinc/09/75/42/949097542.db2.gz CJEJABBJBOMIEH-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](CN(C)C(=O)C(C)(C)c1cccnc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574694966 949099620 /nfs/dbraw/zinc/09/96/20/949099620.db2.gz XZLWBAIJUZSWIU-LBPRGKRZSA-N -1 1 381.444 1.288 20 0 GDADMM C[C@@H](CN(C)C(=O)C(C)(C)c1cccnc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574694966 949099637 /nfs/dbraw/zinc/09/96/37/949099637.db2.gz XZLWBAIJUZSWIU-LBPRGKRZSA-N -1 1 381.444 1.288 20 0 GDADMM CC(C)(C(=O)NCCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C1CC1 ZINC001573781444 949103679 /nfs/dbraw/zinc/10/36/79/949103679.db2.gz HBCUYXOOOLWIKH-UHFFFAOYSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C(=O)NCCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001573781444 949103691 /nfs/dbraw/zinc/10/36/91/949103691.db2.gz HBCUYXOOOLWIKH-UHFFFAOYSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)c1occc1C(=O)NC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001574445738 949113003 /nfs/dbraw/zinc/11/30/03/949113003.db2.gz AUUNDQVZIIPXNP-ZDUSSCGKSA-N -1 1 384.444 1.662 20 0 GDADMM CC(C)c1occc1C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574446049 949119997 /nfs/dbraw/zinc/11/99/97/949119997.db2.gz GYLURDGAQSPISN-GFCCVEGCSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1occc1C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574446049 949120013 /nfs/dbraw/zinc/12/00/13/949120013.db2.gz GYLURDGAQSPISN-GFCCVEGCSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1occc1C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574446035 949120752 /nfs/dbraw/zinc/12/07/52/949120752.db2.gz GEQLLWWRGALYJN-GFCCVEGCSA-N -1 1 382.428 1.512 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCOCC1 ZINC001574094247 949132225 /nfs/dbraw/zinc/13/22/25/949132225.db2.gz YHXQJTOLGVKAJI-OLZOCXBDSA-N -1 1 386.460 1.026 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCOCC1 ZINC001574094247 949132245 /nfs/dbraw/zinc/13/22/45/949132245.db2.gz YHXQJTOLGVKAJI-OLZOCXBDSA-N -1 1 386.460 1.026 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@H](C)CCNc2nccnc2-c2nnn[n-]2)nc1 ZINC001574696814 949141157 /nfs/dbraw/zinc/14/11/57/949141157.db2.gz UXGZHPLSMDHBNA-GFCCVEGCSA-N -1 1 381.444 1.796 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@H](C)CCNc2nccnc2-c2nn[n-]n2)nc1 ZINC001574696814 949141173 /nfs/dbraw/zinc/14/11/73/949141173.db2.gz UXGZHPLSMDHBNA-GFCCVEGCSA-N -1 1 381.444 1.796 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001574447626 949165296 /nfs/dbraw/zinc/16/52/96/949165296.db2.gz VDWNAOYWGOJUDZ-NSHDSACASA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001574447626 949165323 /nfs/dbraw/zinc/16/53/23/949165323.db2.gz VDWNAOYWGOJUDZ-NSHDSACASA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1ocnc1C(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574447613 949165382 /nfs/dbraw/zinc/16/53/82/949165382.db2.gz USJXANXULYPQRB-ZYHUDNBSSA-N -1 1 383.416 1.341 20 0 GDADMM CC(C)c1ocnc1C(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574447613 949165395 /nfs/dbraw/zinc/16/53/95/949165395.db2.gz USJXANXULYPQRB-ZYHUDNBSSA-N -1 1 383.416 1.341 20 0 GDADMM C[C@@H](c1ccccc1)[C@H](O)CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC001575514661 949170002 /nfs/dbraw/zinc/17/00/02/949170002.db2.gz DLPPHHDOQZPAOX-XHDPSFHLSA-N -1 1 391.428 1.449 20 0 GDADMM C[C@H](NC(=O)C1(C2CC2)CC1)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575252862 949176349 /nfs/dbraw/zinc/17/63/49/949176349.db2.gz IEDKJAALMNNMJU-STQMWFEESA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](NC(=O)C1(C2CC2)CC1)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575252862 949176337 /nfs/dbraw/zinc/17/63/37/949176337.db2.gz IEDKJAALMNNMJU-STQMWFEESA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](NC(=O)C1(C2CC2)CC1)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575253590 949192524 /nfs/dbraw/zinc/19/25/24/949192524.db2.gz KUYCUYFDBISZIQ-STQMWFEESA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](CNC(=O)Cc1cc(F)ccc1F)CNc1nccnc1-c1nnn[n-]1 ZINC001574936765 949213743 /nfs/dbraw/zinc/21/37/43/949213743.db2.gz KQPKVUKBCVRVDH-SNVBAGLBSA-N -1 1 388.382 1.342 20 0 GDADMM C[C@H](CNC(=O)Cc1cc(F)ccc1F)CNc1nccnc1-c1nn[n-]n1 ZINC001574936765 949213757 /nfs/dbraw/zinc/21/37/57/949213757.db2.gz KQPKVUKBCVRVDH-SNVBAGLBSA-N -1 1 388.382 1.342 20 0 GDADMM CC(C)c1oncc1C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574450275 949213536 /nfs/dbraw/zinc/21/35/36/949213536.db2.gz YQHADGJAFCODMM-NSHDSACASA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1oncc1C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574450275 949213559 /nfs/dbraw/zinc/21/35/59/949213559.db2.gz YQHADGJAFCODMM-NSHDSACASA-N -1 1 383.416 1.167 20 0 GDADMM C[C@H](NC(=O)C1(C(F)F)CC1)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575254799 949214621 /nfs/dbraw/zinc/21/46/21/949214621.db2.gz XWXGHLZHMWIFQH-QWRGUYRKSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@H](NC(=O)C1(C(F)F)CC1)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575254799 949214641 /nfs/dbraw/zinc/21/46/41/949214641.db2.gz XWXGHLZHMWIFQH-QWRGUYRKSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(F)c(F)c1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574938106 949234516 /nfs/dbraw/zinc/23/45/16/949234516.db2.gz SAIRCRXWGWNFKG-SNVBAGLBSA-N -1 1 388.382 1.342 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(F)c(F)c1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574938106 949234535 /nfs/dbraw/zinc/23/45/35/949234535.db2.gz SAIRCRXWGWNFKG-SNVBAGLBSA-N -1 1 388.382 1.342 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCC(C)(Nc3ccnc(-c4nn[n-]n4)n3)CC2)CC1 ZINC001575854415 949236064 /nfs/dbraw/zinc/23/60/64/949236064.db2.gz VUPIJBARJVBUES-UHFFFAOYSA-N -1 1 392.414 1.307 20 0 GDADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)C2CC(F)(F)C2)CC1 ZINC001575856760 949257616 /nfs/dbraw/zinc/25/76/16/949257616.db2.gz KCEXVIIUNCHICA-UHFFFAOYSA-N -1 1 378.387 1.495 20 0 GDADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)C2CC(F)(F)C2)CC1 ZINC001575856760 949257641 /nfs/dbraw/zinc/25/76/41/949257641.db2.gz KCEXVIIUNCHICA-UHFFFAOYSA-N -1 1 378.387 1.495 20 0 GDADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)C2C=CC=CC=C2)CC1 ZINC001575856959 949258526 /nfs/dbraw/zinc/25/85/26/949258526.db2.gz LNQIONIDDXOAIA-UHFFFAOYSA-N -1 1 378.440 1.748 20 0 GDADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)C2C=CC=CC=C2)CC1 ZINC001575856959 949258540 /nfs/dbraw/zinc/25/85/40/949258540.db2.gz LNQIONIDDXOAIA-UHFFFAOYSA-N -1 1 378.440 1.748 20 0 GDADMM CC(C)(C)C(=O)N1CCC([C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001573792707 949262611 /nfs/dbraw/zinc/26/26/11/949262611.db2.gz TZRMFMRJKJMTKJ-CQSZACIVSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)(C)C(=O)N1CCC([C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001573792707 949262631 /nfs/dbraw/zinc/26/26/31/949262631.db2.gz TZRMFMRJKJMTKJ-CQSZACIVSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)n1cc(C(=O)NCC2(Nc3cnc(-c4nnn[n-]4)cn3)CCC2)cn1 ZINC001574452534 949263862 /nfs/dbraw/zinc/26/38/62/949263862.db2.gz MOBDMECUIVBNDU-UHFFFAOYSA-N -1 1 382.432 1.199 20 0 GDADMM CC(C)n1cc(C(=O)NCC2(Nc3cnc(-c4nn[n-]n4)cn3)CCC2)cn1 ZINC001574452534 949263881 /nfs/dbraw/zinc/26/38/81/949263881.db2.gz MOBDMECUIVBNDU-UHFFFAOYSA-N -1 1 382.432 1.199 20 0 GDADMM CC(C)(C)C(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1c1ccnc(-c2nn[n-]n2)n1 ZINC001573792763 949263969 /nfs/dbraw/zinc/26/39/69/949263969.db2.gz VAADLSPIXOINHF-CRWXNKLISA-N -1 1 382.472 1.376 20 0 GDADMM C[C@@H](CN(C)C(=O)C1(c2ccccn2)CC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574701573 949264902 /nfs/dbraw/zinc/26/49/02/949264902.db2.gz BZDPSZDOTBPWRR-LBPRGKRZSA-N -1 1 379.428 1.042 20 0 GDADMM C[C@@H](CN(C)C(=O)C1(c2ccccn2)CC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574701573 949264924 /nfs/dbraw/zinc/26/49/24/949264924.db2.gz BZDPSZDOTBPWRR-LBPRGKRZSA-N -1 1 379.428 1.042 20 0 GDADMM C[C@H](CN(C)C(=O)C1(c2ccccn2)CC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574701572 949265131 /nfs/dbraw/zinc/26/51/31/949265131.db2.gz BZDPSZDOTBPWRR-GFCCVEGCSA-N -1 1 379.428 1.042 20 0 GDADMM C[C@H](CN(C)C(=O)C1(c2ccccn2)CC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574701572 949265141 /nfs/dbraw/zinc/26/51/41/949265141.db2.gz BZDPSZDOTBPWRR-GFCCVEGCSA-N -1 1 379.428 1.042 20 0 GDADMM CC(C)n1cc(C(=O)N2CCC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001574452539 949270118 /nfs/dbraw/zinc/27/01/18/949270118.db2.gz MRGBYQUWJCUYPY-ZDUSSCGKSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1cc(C(=O)N2CCC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001574452539 949270140 /nfs/dbraw/zinc/27/01/40/949270140.db2.gz MRGBYQUWJCUYPY-ZDUSSCGKSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1cc(C(=O)N2CCC(Nc3cnc(-c4nnn[n-]4)cn3)CC2)cn1 ZINC001574452935 949272153 /nfs/dbraw/zinc/27/21/53/949272153.db2.gz RNDZMJDBNMLRFQ-UHFFFAOYSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1cc(C(=O)N2CCC(Nc3cnc(-c4nn[n-]n4)cn3)CC2)cn1 ZINC001574452935 949272164 /nfs/dbraw/zinc/27/21/64/949272164.db2.gz RNDZMJDBNMLRFQ-UHFFFAOYSA-N -1 1 382.432 1.151 20 0 GDADMM CC1=C(C)C[C@@](C)(C(=O)N(C)[C@H](C)CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575860200 949294756 /nfs/dbraw/zinc/29/47/56/949294756.db2.gz DFZOKJOKJXKEDS-KUHUBIRLSA-N -1 1 384.488 1.864 20 0 GDADMM C[C@@H](CN(C)C(=O)C1(c2ccccc2)CC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574703016 949304017 /nfs/dbraw/zinc/30/40/17/949304017.db2.gz OYABSOAOCWEYTH-ZDUSSCGKSA-N -1 1 378.440 1.647 20 0 GDADMM C[C@@H](CN(C)C(=O)C1(c2ccccc2)CC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574703016 949304039 /nfs/dbraw/zinc/30/40/39/949304039.db2.gz OYABSOAOCWEYTH-ZDUSSCGKSA-N -1 1 378.440 1.647 20 0 GDADMM C[C@@H](NC(=O)C1CC2(C1)CCOCC2)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575258624 949306668 /nfs/dbraw/zinc/30/66/68/949306668.db2.gz IZWIFXVDZMMAFR-NWDGAFQWSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@@H](NC(=O)C1CC2(C1)CCOCC2)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575258624 949306688 /nfs/dbraw/zinc/30/66/88/949306688.db2.gz IZWIFXVDZMMAFR-NWDGAFQWSA-N -1 1 386.460 1.169 20 0 GDADMM CC1=C(C)C[C@H](C(=O)NC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C)CC1 ZINC001575860898 949306962 /nfs/dbraw/zinc/30/69/62/949306962.db2.gz LUUJDVWRKMLCFK-BZUAXINKSA-N -1 1 396.499 1.982 20 0 GDADMM CC1=C(C)C[C@H](C(=O)NC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C)CC1 ZINC001575860898 949306985 /nfs/dbraw/zinc/30/69/85/949306985.db2.gz LUUJDVWRKMLCFK-BZUAXINKSA-N -1 1 396.499 1.982 20 0 GDADMM CC(C)CC(=O)N1CCC2(CC1)CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001574109333 949319042 /nfs/dbraw/zinc/31/90/42/949319042.db2.gz YGUMMPHYKRLALB-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)CC(=O)N1CCC2(CC1)CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001574109333 949319069 /nfs/dbraw/zinc/31/90/69/949319069.db2.gz YGUMMPHYKRLALB-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccon1 ZINC001576154166 949321507 /nfs/dbraw/zinc/32/15/07/949321507.db2.gz CGVDIDGDQUWDCM-GTNSWQLSSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccon1 ZINC001576154166 949321528 /nfs/dbraw/zinc/32/15/28/949321528.db2.gz CGVDIDGDQUWDCM-GTNSWQLSSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccon1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574942070 949334460 /nfs/dbraw/zinc/33/44/60/949334460.db2.gz JWSORZLGKAYHRC-ZETCQYMHSA-N -1 1 382.837 1.372 20 0 GDADMM CC1=CC[C@@](C)(C(=O)NC[C@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575863259 949347876 /nfs/dbraw/zinc/34/78/76/949347876.db2.gz BDZPQVZHFGRJNS-AUUYWEPGSA-N -1 1 382.472 1.878 20 0 GDADMM CC1=CC[C@@](C)(C(=O)NC[C@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575863259 949347899 /nfs/dbraw/zinc/34/78/99/949347899.db2.gz BDZPQVZHFGRJNS-AUUYWEPGSA-N -1 1 382.472 1.878 20 0 GDADMM C[C@H](CNC(=O)Cc1cccnc1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001574942339 949348099 /nfs/dbraw/zinc/34/80/99/949348099.db2.gz YPEPBPXRSOWGGI-SECBINFHSA-N -1 1 392.876 1.779 20 0 GDADMM C[C@H](CNC(=O)Cc1cccnc1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001574942339 949348120 /nfs/dbraw/zinc/34/81/20/949348120.db2.gz YPEPBPXRSOWGGI-SECBINFHSA-N -1 1 392.876 1.779 20 0 GDADMM C[C@H]1CCC[C@H]1CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001576154567 949348423 /nfs/dbraw/zinc/34/84/23/949348423.db2.gz DXBIGILSCPFYSM-ZQDZILKHSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H]1CCC[C@H]1CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001576154567 949348443 /nfs/dbraw/zinc/34/84/43/949348443.db2.gz DXBIGILSCPFYSM-ZQDZILKHSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(F)c1F)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574942312 949349284 /nfs/dbraw/zinc/34/92/84/949349284.db2.gz YGJCXIRVLXANLM-SNVBAGLBSA-N -1 1 388.382 1.119 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(F)c1F)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574942312 949349305 /nfs/dbraw/zinc/34/93/05/949349305.db2.gz YGJCXIRVLXANLM-SNVBAGLBSA-N -1 1 388.382 1.119 20 0 GDADMM CC(C)(C)C(=O)N[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C[C@H]1O ZINC001573799335 949371795 /nfs/dbraw/zinc/37/17/95/949371795.db2.gz LKLYXLPGAAMAER-HTQZYQBOSA-N -1 1 385.881 1.079 20 0 GDADMM CC(C)(C)C(=O)N[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C[C@H]1O ZINC001573799335 949371817 /nfs/dbraw/zinc/37/18/17/949371817.db2.gz LKLYXLPGAAMAER-HTQZYQBOSA-N -1 1 385.881 1.079 20 0 GDADMM C[C@@H]1CCC[C@H](C(=O)N2CCC(N(C)c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576154953 949374980 /nfs/dbraw/zinc/37/49/80/949374980.db2.gz RXKXDPJYMPRWNC-KGLIPLIRSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCC[C@H](C(=O)N2CCC(N(C)c3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001576154953 949375001 /nfs/dbraw/zinc/37/50/01/949375001.db2.gz RXKXDPJYMPRWNC-KGLIPLIRSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CCC[C@]1(C)C(=O)N(C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576154954 949375925 /nfs/dbraw/zinc/37/59/25/949375925.db2.gz SLLOAXGEKNZREN-DJJJIMSYSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CCC[C@]1(C)C(=O)N(C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576154954 949375944 /nfs/dbraw/zinc/37/59/44/949375944.db2.gz SLLOAXGEKNZREN-DJJJIMSYSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)n1cccc1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1 ZINC001574464299 949408697 /nfs/dbraw/zinc/40/86/97/949408697.db2.gz JIFWRMBKONZULT-STQMWFEESA-N -1 1 379.428 1.142 20 0 GDADMM CC(C)n1cccc1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1 ZINC001574464299 949408705 /nfs/dbraw/zinc/40/87/05/949408705.db2.gz JIFWRMBKONZULT-STQMWFEESA-N -1 1 379.428 1.142 20 0 GDADMM CC(C)(C)C(=O)NC[C@@]1(O)CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573802192 949413515 /nfs/dbraw/zinc/41/35/15/949413515.db2.gz GQIMNFGJUOZNPC-AWEZNQCLSA-N -1 1 385.881 1.080 20 0 GDADMM CC1(C(=O)N2CCC([C@H]3CCCN3c3nccnc3-c3nnn[n-]3)CC2)CC1 ZINC001575533257 949416068 /nfs/dbraw/zinc/41/60/68/949416068.db2.gz GFDZJAVVGRQLDB-CQSZACIVSA-N -1 1 382.472 1.664 20 0 GDADMM CC1(C(=O)N2CCC([C@H]3CCCN3c3nccnc3-c3nn[n-]n3)CC2)CC1 ZINC001575533257 949416074 /nfs/dbraw/zinc/41/60/74/949416074.db2.gz GFDZJAVVGRQLDB-CQSZACIVSA-N -1 1 382.472 1.664 20 0 GDADMM C[C@H]1CCC[C@@H](C(=O)NCC2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576155833 949418663 /nfs/dbraw/zinc/41/86/63/949418663.db2.gz VLFFGEJEVIYTFV-DZGCQCFKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H]1CCC[C@@H](C(=O)NCC2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001576155833 949418674 /nfs/dbraw/zinc/41/86/74/949418674.db2.gz VLFFGEJEVIYTFV-DZGCQCFKSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)n1cnc(C(=O)NC[C@H](Nc2nccnc2-c2nnn[n-]2)C2CC2)c1 ZINC001574464689 949425071 /nfs/dbraw/zinc/42/50/71/949425071.db2.gz RNOYITDGDDOWTQ-LBPRGKRZSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cnc(C(=O)NC[C@H](Nc2nccnc2-c2nn[n-]n2)C2CC2)c1 ZINC001574464689 949425083 /nfs/dbraw/zinc/42/50/83/949425083.db2.gz RNOYITDGDDOWTQ-LBPRGKRZSA-N -1 1 382.432 1.055 20 0 GDADMM CC1(C(=O)N2CC[C@H](CCNc3ccnc(-c4nn[n-]n4)n3)C2)CC(F)(F)C1 ZINC001575534548 949429304 /nfs/dbraw/zinc/42/93/04/949429304.db2.gz NOUKQZSHFGHTRA-NSHDSACASA-N -1 1 392.414 1.165 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C(C2CC2)C2CC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575867817 949446130 /nfs/dbraw/zinc/44/61/30/949446130.db2.gz KVZCXKZHRAKRRD-BXUZGUMPSA-N -1 1 382.472 1.566 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C(C2CC2)C2CC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575867817 949446142 /nfs/dbraw/zinc/44/61/42/949446142.db2.gz KVZCXKZHRAKRRD-BXUZGUMPSA-N -1 1 382.472 1.566 20 0 GDADMM C[C@H](CNC(=O)Cn1ccnc1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574947449 949448735 /nfs/dbraw/zinc/44/87/35/949448735.db2.gz AXUNQHNDZKFHOS-MRVPVSSYSA-N -1 1 381.853 1.038 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001574466017 949449357 /nfs/dbraw/zinc/44/93/57/949449357.db2.gz ZVWNFMIBICJWLO-ZDUSSCGKSA-N -1 1 381.444 1.438 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001574466017 949449371 /nfs/dbraw/zinc/44/93/71/949449371.db2.gz ZVWNFMIBICJWLO-ZDUSSCGKSA-N -1 1 381.444 1.438 20 0 GDADMM C[C@@H](NC(=O)CC(F)(F)F)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575266187 949471417 /nfs/dbraw/zinc/47/14/17/949471417.db2.gz XTQDRWTTXYYPHN-ZJUUUORDSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H]1[C@H](C(=O)NCc2ccnc(-c3nnn[n-]3)c2)CCN1C(=O)OC(C)(C)C ZINC001575870331 949483868 /nfs/dbraw/zinc/48/38/68/949483868.db2.gz UZJLGWNZPJTPAE-DGCLKSJQSA-N -1 1 387.444 1.523 20 0 GDADMM C[C@@H]1[C@H](C(=O)NCc2ccnc(-c3nn[n-]n3)c2)CCN1C(=O)OC(C)(C)C ZINC001575870331 949483883 /nfs/dbraw/zinc/48/38/83/949483883.db2.gz UZJLGWNZPJTPAE-DGCLKSJQSA-N -1 1 387.444 1.523 20 0 GDADMM C[C@H](CNC(=O)Cn1cccn1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001574949222 949487007 /nfs/dbraw/zinc/48/70/07/949487007.db2.gz RVBVLYDVUVHUSS-MRVPVSSYSA-N -1 1 381.853 1.038 20 0 GDADMM C[C@H](CNC(=O)Cn1cccn1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001574949222 949487014 /nfs/dbraw/zinc/48/70/14/949487014.db2.gz RVBVLYDVUVHUSS-MRVPVSSYSA-N -1 1 381.853 1.038 20 0 GDADMM C[C@@H](CNC(=O)Cn1cccn1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574949431 949493175 /nfs/dbraw/zinc/49/31/75/949493175.db2.gz WFZRUPNJSWCQOD-QMMMGPOBSA-N -1 1 381.853 1.038 20 0 GDADMM C[C@@H](CNC(=O)Cn1cccn1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574949431 949493193 /nfs/dbraw/zinc/49/31/93/949493193.db2.gz WFZRUPNJSWCQOD-QMMMGPOBSA-N -1 1 381.853 1.038 20 0 GDADMM C[C@H](CN(C)C(=O)C1CC2(C1)CCOCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574708529 949495154 /nfs/dbraw/zinc/49/51/54/949495154.db2.gz WFPHPMNDMCQRSQ-GFCCVEGCSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H](CN(C)C(=O)C1CC2(C1)CCOCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574708529 949495172 /nfs/dbraw/zinc/49/51/72/949495172.db2.gz WFPHPMNDMCQRSQ-GFCCVEGCSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](NC(=O)CC1CCCC1)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575267657 949505322 /nfs/dbraw/zinc/50/53/22/949505322.db2.gz JEIMHPQMKITDAV-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](NC(=O)CC1CCCC1)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575267657 949505341 /nfs/dbraw/zinc/50/53/41/949505341.db2.gz JEIMHPQMKITDAV-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccc[nH]1 ZINC001576159029 949510867 /nfs/dbraw/zinc/51/08/67/949510867.db2.gz VXJAJMJKMPUQNR-SGTLLEGYSA-N -1 1 381.444 1.776 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccc[nH]1 ZINC001576159029 949510883 /nfs/dbraw/zinc/51/08/83/949510883.db2.gz VXJAJMJKMPUQNR-SGTLLEGYSA-N -1 1 381.444 1.776 20 0 GDADMM C[C@H](CNC(=O)NCc1ccc(-c2nn[n-]n2)s1)NC(=O)OC(C)(C)C ZINC001574950370 949532381 /nfs/dbraw/zinc/53/23/81/949532381.db2.gz NFFVJDNPOGHIJZ-SECBINFHSA-N -1 1 381.462 1.641 20 0 GDADMM C[C@H](CC(=O)N(C)[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1)c1ccncc1 ZINC001574472210 949548253 /nfs/dbraw/zinc/54/82/53/949548253.db2.gz SASHKQSMLLMTTI-CHWSQXEVSA-N -1 1 381.444 1.504 20 0 GDADMM C[C@H](CC(=O)N(C)[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1)c1ccncc1 ZINC001574472210 949548269 /nfs/dbraw/zinc/54/82/69/949548269.db2.gz SASHKQSMLLMTTI-CHWSQXEVSA-N -1 1 381.444 1.504 20 0 GDADMM C[C@]1(C(=O)N2CCC[C@@H](CCNc3ccc(-c4nnn[n-]4)nn3)C2)CCOC1 ZINC001575539775 949555317 /nfs/dbraw/zinc/55/53/17/949555317.db2.gz STCWJTCSBVXYGO-UGSOOPFHSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@]1(C(=O)N2CCC[C@@H](CCNc3ccc(-c4nn[n-]n4)nn3)C2)CCOC1 ZINC001575539775 949555324 /nfs/dbraw/zinc/55/53/24/949555324.db2.gz STCWJTCSBVXYGO-UGSOOPFHSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2CC(F)(F)C2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575873173 949570594 /nfs/dbraw/zinc/57/05/94/949570594.db2.gz ODCDXZPDGWFDLW-KOLCDFICSA-N -1 1 378.387 1.176 20 0 GDADMM C[C@@H](NC(=O)CC1(O)CCC1)[C@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575270180 949575857 /nfs/dbraw/zinc/57/58/57/949575857.db2.gz YJLGYCWJBCIZMY-SFYZADRCSA-N -1 1 385.881 1.587 20 0 GDADMM C[C@@H](NC(=O)CC1(O)CCC1)[C@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575270180 949575879 /nfs/dbraw/zinc/57/58/79/949575879.db2.gz YJLGYCWJBCIZMY-SFYZADRCSA-N -1 1 385.881 1.587 20 0 GDADMM C[C@@H](NC(=O)CC1(O)CCC1)[C@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575270299 949581193 /nfs/dbraw/zinc/58/11/93/949581193.db2.gz ZEMXZUNRFVDTPX-SFYZADRCSA-N -1 1 385.881 1.587 20 0 GDADMM CC(C)C[C@H](C(=O)N[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1)n1ccnc1 ZINC001574125548 949591528 /nfs/dbraw/zinc/59/15/28/949591528.db2.gz SKIRWBGRRGSCGH-TZMCWYRMSA-N -1 1 384.448 1.057 20 0 GDADMM C[C@H]1CCCC[C@@H]1CC(=O)NCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001576167296 949609555 /nfs/dbraw/zinc/60/95/55/949609555.db2.gz CFGGQZKXVXJDEY-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCCC[C@@H]1CC(=O)NCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001576167296 949609570 /nfs/dbraw/zinc/60/95/70/949609570.db2.gz CFGGQZKXVXJDEY-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@]1(C(=O)N2CCCC[C@H]2CNc2cnc(-c3nnn[n-]3)cn2)CCCOC1 ZINC001575546519 949612412 /nfs/dbraw/zinc/61/24/12/949612412.db2.gz QRVVDTQOZNPZOA-UGSOOPFHSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@]1(C(=O)N2CCCC[C@H]2CNc2cnc(-c3nn[n-]n3)cn2)CCCOC1 ZINC001575546519 949612424 /nfs/dbraw/zinc/61/24/24/949612424.db2.gz QRVVDTQOZNPZOA-UGSOOPFHSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@H]1[C@H](NC(=O)CC(C)(C)C2CC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575874667 949615509 /nfs/dbraw/zinc/61/55/09/949615509.db2.gz UANLMYOSCIBGBA-GXTWGEPZSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H]1[C@H](NC(=O)CC(C)(C)C2CC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575874667 949615523 /nfs/dbraw/zinc/61/55/23/949615523.db2.gz UANLMYOSCIBGBA-GXTWGEPZSA-N -1 1 384.488 1.957 20 0 GDADMM CC1(C(=O)N2CCC[C@H]2CNc2cncc(-c3nnn[n-]3)n2)CC(F)(F)C1 ZINC001575547489 949624686 /nfs/dbraw/zinc/62/46/86/949624686.db2.gz XMJNWJQANZENEO-JTQLQIEISA-N -1 1 378.387 1.495 20 0 GDADMM CC1(C(=O)N2CCC[C@H]2CNc2cncc(-c3nn[n-]n3)n2)CC(F)(F)C1 ZINC001575547489 949624701 /nfs/dbraw/zinc/62/47/01/949624701.db2.gz XMJNWJQANZENEO-JTQLQIEISA-N -1 1 378.387 1.495 20 0 GDADMM CC1(C(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)s3)CC2)CCOCC1 ZINC001575547568 949631575 /nfs/dbraw/zinc/63/15/75/949631575.db2.gz AECNBOXHSAVVGT-UHFFFAOYSA-N -1 1 376.486 1.389 20 0 GDADMM C[C@H](NC(=O)CCCC1CC1)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575272291 949637545 /nfs/dbraw/zinc/63/75/45/949637545.db2.gz OOVZIDVEQZXVEX-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](NC(=O)CCCC1CC1)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575272291 949637553 /nfs/dbraw/zinc/63/75/53/949637553.db2.gz OOVZIDVEQZXVEX-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574957931 949642748 /nfs/dbraw/zinc/64/27/48/949642748.db2.gz JJDKKOPTYHRZNM-KGLIPLIRSA-N -1 1 380.456 1.476 20 0 GDADMM C[C@@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001574477393 949656819 /nfs/dbraw/zinc/65/68/19/949656819.db2.gz NUUWBKNSPQGXRP-AEGPPILISA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001574477393 949656835 /nfs/dbraw/zinc/65/68/35/949656835.db2.gz NUUWBKNSPQGXRP-AEGPPILISA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001574477394 949657776 /nfs/dbraw/zinc/65/77/76/949657776.db2.gz NUUWBKNSPQGXRP-YUELXQCFSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001574477394 949657789 /nfs/dbraw/zinc/65/77/89/949657789.db2.gz NUUWBKNSPQGXRP-YUELXQCFSA-N -1 1 382.472 1.663 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCCC1(C)C ZINC001573815838 949662492 /nfs/dbraw/zinc/66/24/92/949662492.db2.gz KLQQJLIHOIEUNX-QWHCGFSZSA-N -1 1 386.504 1.848 20 0 GDADMM C[C@@H]1CCCC[C@@H]1CC(=O)N(CCO)CCNc1nccnc1-c1nnn[n-]1 ZINC001576169461 949679743 /nfs/dbraw/zinc/67/97/43/949679743.db2.gz JIODFKNWSNQGLB-ZIAGYGMSSA-N -1 1 388.476 1.106 20 0 GDADMM C[C@@H]1CCCC[C@@H]1CC(=O)N(CCO)CCNc1nccnc1-c1nn[n-]n1 ZINC001576169461 949679762 /nfs/dbraw/zinc/67/97/62/949679762.db2.gz JIODFKNWSNQGLB-ZIAGYGMSSA-N -1 1 388.476 1.106 20 0 GDADMM C[C@H]1CCCC[C@H]1OCC(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576169496 949681332 /nfs/dbraw/zinc/68/13/32/949681332.db2.gz YJOAMOSIUANWCT-GXTWGEPZSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H]1CCCC[C@H]1OCC(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576169496 949681341 /nfs/dbraw/zinc/68/13/41/949681341.db2.gz YJOAMOSIUANWCT-GXTWGEPZSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](NC(=O)CCc1ccccc1F)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575275893 949704119 /nfs/dbraw/zinc/70/41/19/949704119.db2.gz FPWOXFDJXAKTRG-RYUDHWBXSA-N -1 1 384.419 1.734 20 0 GDADMM C[C@H](NC(=O)CCc1ccccc1F)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575275893 949704134 /nfs/dbraw/zinc/70/41/34/949704134.db2.gz FPWOXFDJXAKTRG-RYUDHWBXSA-N -1 1 384.419 1.734 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N1CC[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574134711 949724701 /nfs/dbraw/zinc/72/47/01/949724701.db2.gz IOODVQZKGIVQHG-GJZGRUSLSA-N -1 1 386.504 1.801 20 0 GDADMM C[C@@H](CC(=O)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1)[C@H]1CCCO1 ZINC001574479071 949729657 /nfs/dbraw/zinc/72/96/57/949729657.db2.gz CJYVJLZLJQISEO-SWLSCSKDSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H](CC(=O)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1)[C@H]1CCCO1 ZINC001574479071 949729677 /nfs/dbraw/zinc/72/96/77/949729677.db2.gz CJYVJLZLJQISEO-SWLSCSKDSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H](NC(=O)CCc1ccccc1F)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575276937 949736389 /nfs/dbraw/zinc/73/63/89/949736389.db2.gz MZGWFOMDLZVCHR-NWDGAFQWSA-N -1 1 384.419 1.734 20 0 GDADMM C[C@@H](NC(=O)CCc1ccccc1F)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575276937 949736405 /nfs/dbraw/zinc/73/64/05/949736405.db2.gz MZGWFOMDLZVCHR-NWDGAFQWSA-N -1 1 384.419 1.734 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574480135 949744887 /nfs/dbraw/zinc/74/48/87/949744887.db2.gz GYPUCJOQNQDCQK-STQMWFEESA-N -1 1 382.428 1.126 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H]1CCCOCC1 ZINC001573819254 949749035 /nfs/dbraw/zinc/74/90/35/949749035.db2.gz RRWAQNOJRPERBC-JSGCOSHPSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H]1CCCOCC1 ZINC001573819254 949749058 /nfs/dbraw/zinc/74/90/58/949749058.db2.gz RRWAQNOJRPERBC-JSGCOSHPSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@H](CC(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1)C(F)(F)F ZINC001574480492 949752341 /nfs/dbraw/zinc/75/23/41/949752341.db2.gz JFDAQYRJCWIRJP-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](CC(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1)C(F)(F)F ZINC001574480492 949752354 /nfs/dbraw/zinc/75/23/54/949752354.db2.gz JFDAQYRJCWIRJP-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CC[C@@H]1CCOC1 ZINC001573819808 949759587 /nfs/dbraw/zinc/75/95/87/949759587.db2.gz VOVFNHNWYHHHMO-TZMCWYRMSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CC[C@@H]1CCOC1 ZINC001573819808 949759599 /nfs/dbraw/zinc/75/95/99/949759599.db2.gz VOVFNHNWYHHHMO-TZMCWYRMSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@@H]1CCCC[C@H]1CC(=O)NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576171620 949770428 /nfs/dbraw/zinc/77/04/28/949770428.db2.gz QPGAXUYEGYPZRF-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCCC[C@H]1CC(=O)NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576171620 949770441 /nfs/dbraw/zinc/77/04/41/949770441.db2.gz QPGAXUYEGYPZRF-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001574481567 949787656 /nfs/dbraw/zinc/78/76/56/949787656.db2.gz RNYAUOGBTINHDU-ZIAGYGMSSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001574481567 949787676 /nfs/dbraw/zinc/78/76/76/949787676.db2.gz RNYAUOGBTINHDU-ZIAGYGMSSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H](CN(C)c2cnc(-c3nnn[n-]3)cn2)C1)C1CC1 ZINC001574481705 949799170 /nfs/dbraw/zinc/79/91/70/949799170.db2.gz UGFLUEWGYVQIFO-ZIAGYGMSSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H](CN(C)c2cnc(-c3nn[n-]n3)cn2)C1)C1CC1 ZINC001574481705 949799183 /nfs/dbraw/zinc/79/91/83/949799183.db2.gz UGFLUEWGYVQIFO-ZIAGYGMSSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H]1CCCN(C(=O)CC2CCC2)[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576172583 949812347 /nfs/dbraw/zinc/81/23/47/949812347.db2.gz XONSGISQNPZHPK-ZFWWWQNUSA-N -1 1 384.488 1.698 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1ncccc1O ZINC001573823022 949815075 /nfs/dbraw/zinc/81/50/75/949815075.db2.gz PWVJEHRRGFAHLH-NSHDSACASA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[nH]n1)NC(=O)c1ncccc1[O-] ZINC001573823022 949815101 /nfs/dbraw/zinc/81/51/01/949815101.db2.gz PWVJEHRRGFAHLH-NSHDSACASA-N -1 1 383.416 1.014 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1)C1CC1 ZINC001574481999 949815248 /nfs/dbraw/zinc/81/52/48/949815248.db2.gz YMUMXUPNESVQBZ-DJJJIMSYSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1)C1CC1 ZINC001574481999 949815265 /nfs/dbraw/zinc/81/52/65/949815265.db2.gz YMUMXUPNESVQBZ-DJJJIMSYSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H](CN(C)C(=O)CCCc1ccsc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574721750 949819328 /nfs/dbraw/zinc/81/93/28/949819328.db2.gz NGIYFGJJSZMLDQ-GFCCVEGCSA-N -1 1 386.485 2.000 20 0 GDADMM C[C@H](CN(C)C(=O)CCCc1ccsc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574721750 949819349 /nfs/dbraw/zinc/81/93/49/949819349.db2.gz NGIYFGJJSZMLDQ-GFCCVEGCSA-N -1 1 386.485 2.000 20 0 GDADMM CC1(C(=O)N[C@H]2CCC[C@H]2CNc2nccnc2-c2nnn[n-]2)CC(F)(F)C1 ZINC001575562789 949829652 /nfs/dbraw/zinc/82/96/52/949829652.db2.gz IRDCYZBSUAGHBW-QWRGUYRKSA-N -1 1 392.414 1.789 20 0 GDADMM CC1(C(=O)N[C@H]2CCC[C@H]2CNc2nccnc2-c2nn[n-]n2)CC(F)(F)C1 ZINC001575562789 949829669 /nfs/dbraw/zinc/82/96/69/949829669.db2.gz IRDCYZBSUAGHBW-QWRGUYRKSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@H]1CCCC[C@H]1C(=O)NCCOCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001576173003 949834232 /nfs/dbraw/zinc/83/42/32/949834232.db2.gz WGUZQPMPBHNWFN-UONOGXRCSA-N -1 1 388.476 1.052 20 0 GDADMM C[C@H]1CCCC[C@H]1C(=O)NCCOCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001576173003 949834256 /nfs/dbraw/zinc/83/42/56/949834256.db2.gz WGUZQPMPBHNWFN-UONOGXRCSA-N -1 1 388.476 1.052 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cncc(F)c1 ZINC001573823487 949834269 /nfs/dbraw/zinc/83/42/69/949834269.db2.gz XRJRRCKRATUFKI-LBPRGKRZSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cncc(F)c1 ZINC001573823487 949834288 /nfs/dbraw/zinc/83/42/88/949834288.db2.gz XRJRRCKRATUFKI-LBPRGKRZSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)(C)C1CC(C(=O)NC[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001573824112 949845549 /nfs/dbraw/zinc/84/55/49/949845549.db2.gz CIXUDVZCIVYMRF-IYXRBSQSSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)(C)C1CC(C(=O)NC[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001573824112 949845568 /nfs/dbraw/zinc/84/55/68/949845568.db2.gz CIXUDVZCIVYMRF-IYXRBSQSSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@H]1CCCC[C@@H]1CC(=O)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001576173877 949847329 /nfs/dbraw/zinc/84/73/29/949847329.db2.gz ZNYHBOSERNDXTA-LSDHHAIUSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@H]1CCCC[C@@H]1CC(=O)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001576173877 949847352 /nfs/dbraw/zinc/84/73/52/949847352.db2.gz ZNYHBOSERNDXTA-LSDHHAIUSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@H](CC(=O)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C1CCCCC1 ZINC001574484084 949859839 /nfs/dbraw/zinc/85/98/39/949859839.db2.gz TWZOABRETWYQLF-CQSZACIVSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001574484295 949876309 /nfs/dbraw/zinc/87/63/09/949876309.db2.gz YCQXIJHBMUEEML-OLZOCXBDSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001574484295 949876333 /nfs/dbraw/zinc/87/63/33/949876333.db2.gz YCQXIJHBMUEEML-OLZOCXBDSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@@H](CC(=O)N1CCCC[C@@H]1CN(C)c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001574484995 949915792 /nfs/dbraw/zinc/91/57/92/949915792.db2.gz UBEBBCVJGSGVDZ-DZGCQCFKSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](CC(=O)N1CCCC[C@@H]1CN(C)c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001574484995 949915821 /nfs/dbraw/zinc/91/58/21/949915821.db2.gz UBEBBCVJGSGVDZ-DZGCQCFKSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)(C)/C=C\C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001573828344 949936486 /nfs/dbraw/zinc/93/64/86/949936486.db2.gz RELXIVABEHIOGI-APMKWMSLSA-N -1 1 382.472 1.829 20 0 GDADMM CC(C)(C)/C=C\C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001573828344 949936496 /nfs/dbraw/zinc/93/64/96/949936496.db2.gz RELXIVABEHIOGI-APMKWMSLSA-N -1 1 382.472 1.829 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574146284 949938532 /nfs/dbraw/zinc/93/85/32/949938532.db2.gz XIPCMCSKVMROKA-ZIAGYGMSSA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574146284 949938542 /nfs/dbraw/zinc/93/85/42/949938542.db2.gz XIPCMCSKVMROKA-ZIAGYGMSSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@]2(C)C1)C1CC1 ZINC001574488019 949939247 /nfs/dbraw/zinc/93/92/47/949939247.db2.gz CBRZFAIPOOQTGI-CFZJUORYSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)CN(C)c1ccccc1 ZINC001575285260 949942344 /nfs/dbraw/zinc/94/23/44/949942344.db2.gz LYZIXGXODOJQMR-OLZOCXBDSA-N -1 1 381.444 1.098 20 0 GDADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)CN(C)c1ccccc1 ZINC001575285260 949942354 /nfs/dbraw/zinc/94/23/54/949942354.db2.gz LYZIXGXODOJQMR-OLZOCXBDSA-N -1 1 381.444 1.098 20 0 GDADMM C[C@H]1CCN(C(=O)CCC(F)F)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576180158 949944834 /nfs/dbraw/zinc/94/48/34/949944834.db2.gz CMFHKXGGAOFDDU-WDEREUQCSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H]1CCN(C(=O)CCC(F)F)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576180158 949944851 /nfs/dbraw/zinc/94/48/51/949944851.db2.gz CMFHKXGGAOFDDU-WDEREUQCSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H](CN(C)C(=O)COCC1CC1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574727580 949969438 /nfs/dbraw/zinc/96/94/38/949969438.db2.gz VPWWKFCPRXONEF-MRVPVSSYSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@H](CN(C)C(=O)COCC1CC1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574727580 949969454 /nfs/dbraw/zinc/96/94/54/949969454.db2.gz VPWWKFCPRXONEF-MRVPVSSYSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccn(C)c2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576180856 949977774 /nfs/dbraw/zinc/97/77/74/949977774.db2.gz JVLFXNULQIQMQA-WFASDCNBSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccn(C)c2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576180856 949977787 /nfs/dbraw/zinc/97/77/87/949977787.db2.gz JVLFXNULQIQMQA-WFASDCNBSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ccc2c(c1)CCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574728465 949986056 /nfs/dbraw/zinc/98/60/56/949986056.db2.gz AYOOCXRXODLBTB-CYBMUJFWSA-N -1 1 392.467 1.647 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ccc2c(c1)CCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574728465 949986077 /nfs/dbraw/zinc/98/60/77/949986077.db2.gz AYOOCXRXODLBTB-CYBMUJFWSA-N -1 1 392.467 1.647 20 0 GDADMM C[C@H](NC(=O)Cc1cc[nH]n1)[C@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001575289596 949992724 /nfs/dbraw/zinc/99/27/24/949992724.db2.gz ADXWACPTYUXTSU-BQBZGAKWSA-N -1 1 381.853 1.248 20 0 GDADMM C[C@H](NC(=O)Cc1cc[nH]n1)[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575289596 949992743 /nfs/dbraw/zinc/99/27/43/949992743.db2.gz ADXWACPTYUXTSU-BQBZGAKWSA-N -1 1 381.853 1.248 20 0 GDADMM C[C@@H](NC(=O)Cc1cccc(Cl)c1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575289609 949998886 /nfs/dbraw/zinc/99/88/86/949998886.db2.gz AJONXQZCPZXXJF-WDEREUQCSA-N -1 1 386.847 1.858 20 0 GDADMM C[C@@H](NC(=O)Cc1cccc(Cl)c1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575289609 949998902 /nfs/dbraw/zinc/99/89/02/949998902.db2.gz AJONXQZCPZXXJF-WDEREUQCSA-N -1 1 386.847 1.858 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ccc[nH]1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574728811 950011269 /nfs/dbraw/zinc/01/12/69/950011269.db2.gz KDZUYLQSTZQHIS-MRVPVSSYSA-N -1 1 380.865 1.806 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ccc[nH]1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574728811 950011289 /nfs/dbraw/zinc/01/12/89/950011289.db2.gz KDZUYLQSTZQHIS-MRVPVSSYSA-N -1 1 380.865 1.806 20 0 GDADMM C[C@@H](CC(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)n1cccc1 ZINC001574490717 950012795 /nfs/dbraw/zinc/01/27/95/950012795.db2.gz XOUUANSZXCKODE-SWLSCSKDSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](CC(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)n1cccc1 ZINC001574490717 950012817 /nfs/dbraw/zinc/01/28/17/950012817.db2.gz XOUUANSZXCKODE-SWLSCSKDSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1cc(C2CC2)no1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574728952 950018099 /nfs/dbraw/zinc/01/80/99/950018099.db2.gz LPRHJOHRNYSCAP-SNVBAGLBSA-N -1 1 383.416 1.024 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1cc(C2CC2)no1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574728952 950018122 /nfs/dbraw/zinc/01/81/22/950018122.db2.gz LPRHJOHRNYSCAP-SNVBAGLBSA-N -1 1 383.416 1.024 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ccccc1Cl)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574730340 950026364 /nfs/dbraw/zinc/02/63/64/950026364.db2.gz RGIASIKPHXPPQF-NSHDSACASA-N -1 1 386.847 1.234 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(CCF)CC2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576182032 950032976 /nfs/dbraw/zinc/03/29/76/950032976.db2.gz KPWZGIQJYKUWOG-OLZOCXBDSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(CCF)CC2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576182032 950032996 /nfs/dbraw/zinc/03/29/96/950032996.db2.gz KPWZGIQJYKUWOG-OLZOCXBDSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@@H](CC(=O)NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C(F)(F)F ZINC001574491396 950036023 /nfs/dbraw/zinc/03/60/23/950036023.db2.gz CHQMJFIJEDLLRF-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](CC(=O)NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C(F)(F)F ZINC001574491396 950036044 /nfs/dbraw/zinc/03/60/44/950036044.db2.gz CHQMJFIJEDLLRF-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2)C1CC1 ZINC001574491785 950043423 /nfs/dbraw/zinc/04/34/23/950043423.db2.gz FXVZZTTYAOCAIO-OCCSQVGLSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1cccc(Cl)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574730976 950044689 /nfs/dbraw/zinc/04/46/89/950044689.db2.gz UPSDACONYYVZMD-NSHDSACASA-N -1 1 386.847 1.812 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1cccc(Cl)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574730976 950044700 /nfs/dbraw/zinc/04/47/00/950044700.db2.gz UPSDACONYYVZMD-NSHDSACASA-N -1 1 386.847 1.812 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccccc2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576182763 950064538 /nfs/dbraw/zinc/06/45/38/950064538.db2.gz PGRLRMHXNPQRKG-DZGCQCFKSA-N -1 1 378.440 1.431 20 0 GDADMM C[C@H]1CCN(C(=O)C2=COCCC2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576182876 950072586 /nfs/dbraw/zinc/07/25/86/950072586.db2.gz NTZZIKWTUALKQB-JSGCOSHPSA-N -1 1 384.444 1.248 20 0 GDADMM C[C@H]1CCN(C(=O)C2=COCCC2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576182876 950072600 /nfs/dbraw/zinc/07/26/00/950072600.db2.gz NTZZIKWTUALKQB-JSGCOSHPSA-N -1 1 384.444 1.248 20 0 GDADMM C[C@@H](CC(=O)NC1CC(CNc2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001574492366 950075558 /nfs/dbraw/zinc/07/55/58/950075558.db2.gz MKFPULBYHVEMAN-HSBZDZAISA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](CC(=O)NC1CC(CNc2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001574492366 950075584 /nfs/dbraw/zinc/07/55/84/950075584.db2.gz MKFPULBYHVEMAN-HSBZDZAISA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](CN(C)C(=O)Cn1ccc2ccccc21)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574732575 950076597 /nfs/dbraw/zinc/07/65/97/950076597.db2.gz KFXAWNIZQJITNG-ZDUSSCGKSA-N -1 1 391.439 1.570 20 0 GDADMM C[C@@H](CN(C)C(=O)Cn1ccc2ccccc21)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574732575 950076614 /nfs/dbraw/zinc/07/66/14/950076614.db2.gz KFXAWNIZQJITNG-ZDUSSCGKSA-N -1 1 391.439 1.570 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001574492382 950079565 /nfs/dbraw/zinc/07/95/65/950079565.db2.gz AMYOCWCSDWXSMN-KBPBESRZSA-N -1 1 380.456 1.791 20 0 GDADMM C[C@H]1CCN(C(=O)C2(C3CC3)CC2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576183365 950085183 /nfs/dbraw/zinc/08/51/83/950085183.db2.gz QAGDITSSAMSKNY-STQMWFEESA-N -1 1 382.472 1.743 20 0 GDADMM C[C@H]1CCN(C(=O)C2(C3CC3)CC2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576183365 950085191 /nfs/dbraw/zinc/08/51/91/950085191.db2.gz QAGDITSSAMSKNY-STQMWFEESA-N -1 1 382.472 1.743 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574492640 950099845 /nfs/dbraw/zinc/09/98/45/950099845.db2.gz NWKPIPGBFCXPCC-ZIAGYGMSSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H]1CCN(C(=O)CCC(F)F)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576183849 950105765 /nfs/dbraw/zinc/10/57/65/950105765.db2.gz ROUNLNJHHJINDP-GHMZBOCLSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H]1CCN(C(=O)CCC(F)F)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576183849 950105778 /nfs/dbraw/zinc/10/57/78/950105778.db2.gz ROUNLNJHHJINDP-GHMZBOCLSA-N -1 1 380.403 1.599 20 0 GDADMM CC1(C(=O)NC[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)CCCCC1 ZINC001575582511 950115017 /nfs/dbraw/zinc/11/50/17/950115017.db2.gz DZBPMFKOOPISEC-CQSZACIVSA-N -1 1 384.488 1.960 20 0 GDADMM C[C@H](CC(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1)c1ccncc1 ZINC001574493207 950118463 /nfs/dbraw/zinc/11/84/63/950118463.db2.gz FLLRQQCRPBFJJL-OLZOCXBDSA-N -1 1 381.444 1.186 20 0 GDADMM C[C@H](CC(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1)c1ccncc1 ZINC001574493207 950118472 /nfs/dbraw/zinc/11/84/72/950118472.db2.gz FLLRQQCRPBFJJL-OLZOCXBDSA-N -1 1 381.444 1.186 20 0 GDADMM CC1(C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)CCCCC1 ZINC001575582744 950124573 /nfs/dbraw/zinc/12/45/73/950124573.db2.gz GLVZEFIDLXIVIO-ZSOGYDGISA-N -1 1 382.472 1.426 20 0 GDADMM CC1(C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]32)CCCCC1 ZINC001575582744 950124584 /nfs/dbraw/zinc/12/45/84/950124584.db2.gz GLVZEFIDLXIVIO-ZSOGYDGISA-N -1 1 382.472 1.426 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccsc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574735067 950158031 /nfs/dbraw/zinc/15/80/31/950158031.db2.gz ZBKRTJAZDXWCGV-KGYLQXTDSA-N -1 1 384.469 1.781 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccsc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574735067 950158059 /nfs/dbraw/zinc/15/80/59/950158059.db2.gz ZBKRTJAZDXWCGV-KGYLQXTDSA-N -1 1 384.469 1.781 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@](C)(O)C1CC1 ZINC001574154085 950164437 /nfs/dbraw/zinc/16/44/37/950164437.db2.gz AZCDYNPCCYIPEJ-UGSOOPFHSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@](C)(O)C1CC1 ZINC001574154085 950164448 /nfs/dbraw/zinc/16/44/48/950164448.db2.gz AZCDYNPCCYIPEJ-UGSOOPFHSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C(C)(C)C(F)F ZINC001574154095 950165182 /nfs/dbraw/zinc/16/51/82/950165182.db2.gz BEARFTKCVIRMIE-SNVBAGLBSA-N -1 1 382.419 1.891 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C(C)(C)C(F)F ZINC001574154095 950165193 /nfs/dbraw/zinc/16/51/93/950165193.db2.gz BEARFTKCVIRMIE-SNVBAGLBSA-N -1 1 382.419 1.891 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1ncccc1F ZINC001574154992 950178636 /nfs/dbraw/zinc/17/86/36/950178636.db2.gz HOORGMDWUNVUBX-LLVKDONJSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ncccc1F ZINC001574154992 950178644 /nfs/dbraw/zinc/17/86/44/950178644.db2.gz HOORGMDWUNVUBX-LLVKDONJSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C1(C)CCOCC1 ZINC001574155028 950185249 /nfs/dbraw/zinc/18/52/49/950185249.db2.gz ICOVYJQHHVCKKY-CYBMUJFWSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C1(C)CCOCC1 ZINC001574155028 950185266 /nfs/dbraw/zinc/18/52/66/950185266.db2.gz ICOVYJQHHVCKKY-CYBMUJFWSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573844573 950196478 /nfs/dbraw/zinc/19/64/78/950196478.db2.gz BUUOAGLPYXSIJS-BFHYXJOUSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573844573 950196492 /nfs/dbraw/zinc/19/64/92/950196492.db2.gz BUUOAGLPYXSIJS-BFHYXJOUSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CSC(C)C ZINC001574155821 950212732 /nfs/dbraw/zinc/21/27/32/950212732.db2.gz RXVNJVIPRHGLRL-LBPRGKRZSA-N -1 1 378.506 1.163 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2sccc2F)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575901041 950216697 /nfs/dbraw/zinc/21/66/97/950216697.db2.gz KEVKZNJPULFKQW-ONGXEEELSA-N -1 1 388.432 1.645 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2sccc2F)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575901041 950216705 /nfs/dbraw/zinc/21/67/05/950216705.db2.gz KEVKZNJPULFKQW-ONGXEEELSA-N -1 1 388.432 1.645 20 0 GDADMM C[C@@H]1CCN(C(=O)c2nccs2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576192058 950224829 /nfs/dbraw/zinc/22/48/29/950224829.db2.gz JSWMDHWPALABNJ-GHMZBOCLSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@@H]1CCN(C(=O)c2nccs2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576192058 950224848 /nfs/dbraw/zinc/22/48/48/950224848.db2.gz JSWMDHWPALABNJ-GHMZBOCLSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCC1)C(F)(F)F ZINC001574497625 950234172 /nfs/dbraw/zinc/23/41/72/950234172.db2.gz AEMUJJPGDVRVFD-SECBINFHSA-N -1 1 384.366 1.696 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCC1)C(F)(F)F ZINC001574497625 950234195 /nfs/dbraw/zinc/23/41/95/950234195.db2.gz AEMUJJPGDVRVFD-SECBINFHSA-N -1 1 384.366 1.696 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573845589 950235045 /nfs/dbraw/zinc/23/50/45/950235045.db2.gz HWNKLOBTXVVOOH-MELADBBJSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2sccc2F)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575902470 950257820 /nfs/dbraw/zinc/25/78/20/950257820.db2.gz VMLSMXRHWQLMPW-KOLCDFICSA-N -1 1 388.432 1.645 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2sccc2F)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575902470 950257840 /nfs/dbraw/zinc/25/78/40/950257840.db2.gz VMLSMXRHWQLMPW-KOLCDFICSA-N -1 1 388.432 1.645 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C1(F)CCCC1 ZINC001574157885 950258180 /nfs/dbraw/zinc/25/81/80/950258180.db2.gz KRAKAJNQDJKRNA-GFCCVEGCSA-N -1 1 376.440 1.882 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C1(F)CCCC1 ZINC001574157885 950258195 /nfs/dbraw/zinc/25/81/95/950258195.db2.gz KRAKAJNQDJKRNA-GFCCVEGCSA-N -1 1 376.440 1.882 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1 ZINC001573847075 950258024 /nfs/dbraw/zinc/25/80/24/950258024.db2.gz ZOCIOYBNZPOFGS-XDQVBPFNSA-N -1 1 382.472 1.519 20 0 GDADMM CC1(C(=O)NCC2CCN(c3nccnc3-c3nnn[n-]3)CC2)CCCCC1 ZINC001575589732 950266427 /nfs/dbraw/zinc/26/64/27/950266427.db2.gz XPLNOUOUWJMAMV-UHFFFAOYSA-N -1 1 384.488 1.960 20 0 GDADMM CC1(C(=O)NCC2CCN(c3nccnc3-c3nn[n-]n3)CC2)CCCCC1 ZINC001575589732 950266449 /nfs/dbraw/zinc/26/64/49/950266449.db2.gz XPLNOUOUWJMAMV-UHFFFAOYSA-N -1 1 384.488 1.960 20 0 GDADMM C[C@H](CN(C)C(=O)c1c(F)cc(F)cc1F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574742156 950269984 /nfs/dbraw/zinc/26/99/84/950269984.db2.gz MTEWTESMGJJIQJ-MRVPVSSYSA-N -1 1 392.345 1.069 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCc1ccon1 ZINC001574158536 950283910 /nfs/dbraw/zinc/28/39/10/950283910.db2.gz CDVWHBFWFAQJRY-ZDUSSCGKSA-N -1 1 385.432 1.220 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCc1ccon1 ZINC001574158536 950283926 /nfs/dbraw/zinc/28/39/26/950283926.db2.gz CDVWHBFWFAQJRY-ZDUSSCGKSA-N -1 1 385.432 1.220 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCC1)n1cccc1 ZINC001574498681 950284995 /nfs/dbraw/zinc/28/49/95/950284995.db2.gz PMSLPPYOSGNHMB-CYBMUJFWSA-N -1 1 381.444 1.560 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCC1)n1cccc1 ZINC001574498681 950285014 /nfs/dbraw/zinc/28/50/14/950285014.db2.gz PMSLPPYOSGNHMB-CYBMUJFWSA-N -1 1 381.444 1.560 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[C@H]1CCCCO1 ZINC001574159352 950304467 /nfs/dbraw/zinc/30/44/67/950304467.db2.gz FZKOUXPZBCSHIC-ZIAGYGMSSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[C@H]1CCCCO1 ZINC001574159352 950304489 /nfs/dbraw/zinc/30/44/89/950304489.db2.gz FZKOUXPZBCSHIC-ZIAGYGMSSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](F)C(=O)Nc2n[nH]cc2-c2nnn[n-]2)C1 ZINC001573852373 950305275 /nfs/dbraw/zinc/30/52/75/950305275.db2.gz GFCOPKMNPLLYLZ-PSASIEDQSA-N -1 1 380.384 1.123 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](F)C(=O)Nc2n[nH]cc2-c2nn[n-]n2)C1 ZINC001573852373 950305293 /nfs/dbraw/zinc/30/52/93/950305293.db2.gz GFCOPKMNPLLYLZ-PSASIEDQSA-N -1 1 380.384 1.123 20 0 GDADMM CC1(C(=O)NCC[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CC(F)(F)C1 ZINC001575593144 950307806 /nfs/dbraw/zinc/30/78/06/950307806.db2.gz LHWJJZYWRVVFET-LLVKDONJSA-N -1 1 392.414 1.425 20 0 GDADMM CC1(C(=O)NCC[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CC(F)(F)C1 ZINC001575593144 950307827 /nfs/dbraw/zinc/30/78/27/950307827.db2.gz LHWJJZYWRVVFET-LLVKDONJSA-N -1 1 392.414 1.425 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C(C)(C)C(F)F ZINC001574159626 950310883 /nfs/dbraw/zinc/31/08/83/950310883.db2.gz WWMRLGDQDACODW-SNVBAGLBSA-N -1 1 382.419 1.891 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C(C)(C)C(F)F ZINC001574159626 950310904 /nfs/dbraw/zinc/31/09/04/950310904.db2.gz WWMRLGDQDACODW-SNVBAGLBSA-N -1 1 382.419 1.891 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H](C)C(F)(F)F ZINC001574159700 950312526 /nfs/dbraw/zinc/31/25/26/950312526.db2.gz YBRDSZBLLMKHHN-UWVGGRQHSA-N -1 1 386.382 1.798 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H](C)C(F)(F)F ZINC001574159700 950312546 /nfs/dbraw/zinc/31/25/46/950312546.db2.gz YBRDSZBLLMKHHN-UWVGGRQHSA-N -1 1 386.382 1.798 20 0 GDADMM C[C@H]1CCN(C(=O)c2cscn2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576193947 950320990 /nfs/dbraw/zinc/32/09/90/950320990.db2.gz WSLALRSSCNICJQ-QWRGUYRKSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H]1CCN(C(=O)c2cscn2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576193947 950321012 /nfs/dbraw/zinc/32/10/12/950321012.db2.gz WSLALRSSCNICJQ-QWRGUYRKSA-N -1 1 385.457 1.324 20 0 GDADMM CC(C)(C)OC(=O)N(CCC(=O)NCc1ccnc(-c2nnn[n-]2)c1)C1CC1 ZINC001573853655 950326391 /nfs/dbraw/zinc/32/63/91/950326391.db2.gz RROPBOAPBWTPDG-UHFFFAOYSA-N -1 1 387.444 1.668 20 0 GDADMM CC(C)(C)OC(=O)N(CCC(=O)NCc1ccnc(-c2nn[n-]n2)c1)C1CC1 ZINC001573853655 950326412 /nfs/dbraw/zinc/32/64/12/950326412.db2.gz RROPBOAPBWTPDG-UHFFFAOYSA-N -1 1 387.444 1.668 20 0 GDADMM CC1(C(=O)NC[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CCC2(F)F)CC1 ZINC001575594045 950329478 /nfs/dbraw/zinc/32/94/78/950329478.db2.gz JDDHZIWSJINGPN-SNVBAGLBSA-N -1 1 378.387 1.035 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001574501721 950341175 /nfs/dbraw/zinc/34/11/75/950341175.db2.gz GVMNELZYZCSYOJ-KBPBESRZSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574501721 950341196 /nfs/dbraw/zinc/34/11/96/950341196.db2.gz GVMNELZYZCSYOJ-KBPBESRZSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc(C(C)(C)C)on1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574745313 950380898 /nfs/dbraw/zinc/38/08/98/950380898.db2.gz IFARAXXKQMGEPL-JTQLQIEISA-N -1 1 385.432 1.515 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc(C(C)(C)C)on1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574745313 950380918 /nfs/dbraw/zinc/38/09/18/950380918.db2.gz IFARAXXKQMGEPL-JTQLQIEISA-N -1 1 385.432 1.515 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001574162651 950394284 /nfs/dbraw/zinc/39/42/84/950394284.db2.gz GKQCIUZNELLUQO-DGAVXFQQSA-N -1 1 386.460 1.167 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001574162651 950394303 /nfs/dbraw/zinc/39/43/03/950394303.db2.gz GKQCIUZNELLUQO-DGAVXFQQSA-N -1 1 386.460 1.167 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@@H]1CCCOC1 ZINC001574162735 950401704 /nfs/dbraw/zinc/40/17/04/950401704.db2.gz HZMOKBHWHCZXAB-KBPBESRZSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@@H]1CCCOC1 ZINC001574162735 950401713 /nfs/dbraw/zinc/40/17/13/950401713.db2.gz HZMOKBHWHCZXAB-KBPBESRZSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc(C(C)(C)C)n[nH]1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574747610 950408238 /nfs/dbraw/zinc/40/82/38/950408238.db2.gz UJSBSNUFAQKTPY-SNVBAGLBSA-N -1 1 384.448 1.250 20 0 GDADMM CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3nnn[n-]3)c2)C[C@@H]1CCO ZINC001573857524 950410362 /nfs/dbraw/zinc/41/03/62/950410362.db2.gz UGLLKDUXBKJVIX-ZDUSSCGKSA-N -1 1 375.433 1.070 20 0 GDADMM CC(C)(C)OC(=O)N1CCN(c2ccnc(-c3nn[n-]n3)c2)C[C@@H]1CCO ZINC001573857524 950410380 /nfs/dbraw/zinc/41/03/80/950410380.db2.gz UGLLKDUXBKJVIX-ZDUSSCGKSA-N -1 1 375.433 1.070 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CC[C@@H]1CCOC1 ZINC001574163540 950428799 /nfs/dbraw/zinc/42/87/99/950428799.db2.gz VRBHZHISISZXKV-KGLIPLIRSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CC[C@@H]1CCOC1 ZINC001574163540 950428812 /nfs/dbraw/zinc/42/88/12/950428812.db2.gz VRBHZHISISZXKV-KGLIPLIRSA-N -1 1 388.476 1.416 20 0 GDADMM CC1(C(=O)N[C@@H]2CCCC[C@H]2Nc2ccnc(-c3nn[n-]n3)n2)CC(F)(F)C1 ZINC001575599610 950430746 /nfs/dbraw/zinc/43/07/46/950430746.db2.gz NMAGFTCFFKESGA-GHMZBOCLSA-N -1 1 392.414 1.353 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C1C=CC=CC=C1 ZINC001574163813 950435613 /nfs/dbraw/zinc/43/56/13/950435613.db2.gz YQFNNUNAAPOORD-OAHLLOKOSA-N -1 1 380.456 1.898 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C1C=CC=CC=C1 ZINC001574163813 950435633 /nfs/dbraw/zinc/43/56/33/950435633.db2.gz YQFNNUNAAPOORD-OAHLLOKOSA-N -1 1 380.456 1.898 20 0 GDADMM CC(C)CC1(C(=O)NC2CCN(c3nccnc3-c3nnn[n-]3)CC2)CCC1 ZINC001574166148 950459108 /nfs/dbraw/zinc/45/91/08/950459108.db2.gz NWTFSFJOYQQOFT-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CC1(C(=O)NC2CCN(c3nccnc3-c3nn[n-]n3)CC2)CCC1 ZINC001574166148 950459116 /nfs/dbraw/zinc/45/91/16/950459116.db2.gz NWTFSFJOYQQOFT-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@]1(C(=O)N[C@H]2CC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)CC2)CCOC1 ZINC001575605533 950468957 /nfs/dbraw/zinc/46/89/57/950468957.db2.gz KROJTYUKUDIKQC-SNUQEOBHSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@]1(C(=O)N[C@H]2CC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)CC2)CCOC1 ZINC001575605533 950468974 /nfs/dbraw/zinc/46/89/74/950468974.db2.gz KROJTYUKUDIKQC-SNUQEOBHSA-N -1 1 386.460 1.170 20 0 GDADMM CC1(C(=O)N[C@@H]2Cc3ccccc3[C@H]2Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001575605589 950474018 /nfs/dbraw/zinc/47/40/18/950474018.db2.gz PJDRBFKNFRQTKL-ZIAGYGMSSA-N -1 1 376.424 1.651 20 0 GDADMM CC1(C(=O)N[C@@H]2Cc3ccccc3[C@H]2Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001575605589 950474031 /nfs/dbraw/zinc/47/40/31/950474031.db2.gz PJDRBFKNFRQTKL-ZIAGYGMSSA-N -1 1 376.424 1.651 20 0 GDADMM CC1(C(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)CCC(F)(F)CC1 ZINC001575607116 950503373 /nfs/dbraw/zinc/50/33/73/950503373.db2.gz HZOSETVVGRSZSW-PHIMTYICSA-N -1 1 392.414 1.931 20 0 GDADMM CC1(C(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)CCC(F)(F)CC1 ZINC001575607116 950503387 /nfs/dbraw/zinc/50/33/87/950503387.db2.gz HZOSETVVGRSZSW-PHIMTYICSA-N -1 1 392.414 1.931 20 0 GDADMM CC(C)(C)OCC(=O)N1CC[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573866697 950509236 /nfs/dbraw/zinc/50/92/36/950509236.db2.gz JALAPQZCBIKWHO-MRVPVSSYSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@H](CC(=O)N[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1)c1ccccc1F ZINC001574509859 950537515 /nfs/dbraw/zinc/53/75/15/950537515.db2.gz ZLVUCVQZHRRPJD-NEPJUHHUSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H](CC(=O)N[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1)c1ccccc1F ZINC001574509859 950537536 /nfs/dbraw/zinc/53/75/36/950537536.db2.gz ZLVUCVQZHRRPJD-NEPJUHHUSA-N -1 1 384.419 1.906 20 0 GDADMM CC(C)(C)OCC(=O)N[C@]12CCC[C@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001573868509 950541399 /nfs/dbraw/zinc/54/13/99/950541399.db2.gz CWSOPIKDYSLLII-XIKOKIGWSA-N -1 1 386.460 1.089 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2 ZINC001573869418 950567972 /nfs/dbraw/zinc/56/79/72/950567972.db2.gz PKDRSHYFDUYOKC-OLZOCXBDSA-N -1 1 386.460 1.311 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2 ZINC001573869418 950567985 /nfs/dbraw/zinc/56/79/85/950567985.db2.gz PKDRSHYFDUYOKC-OLZOCXBDSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc(Cl)s1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574754207 950568371 /nfs/dbraw/zinc/56/83/71/950568371.db2.gz ZZHOOGGNHLYKCK-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc(Cl)s1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574754207 950568390 /nfs/dbraw/zinc/56/83/90/950568390.db2.gz ZZHOOGGNHLYKCK-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)cn1C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574999258 950572069 /nfs/dbraw/zinc/57/20/69/950572069.db2.gz HZHONUFYPFSQIB-VIFPVBQESA-N -1 1 375.824 1.127 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)cn1C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574999258 950572084 /nfs/dbraw/zinc/57/20/84/950572084.db2.gz HZHONUFYPFSQIB-VIFPVBQESA-N -1 1 375.824 1.127 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C)c1ccncc1 ZINC001574511958 950582712 /nfs/dbraw/zinc/58/27/12/950582712.db2.gz XUDYXHLLJCPMKH-WOSRLPQWSA-N -1 1 393.455 1.186 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C)c1ccncc1 ZINC001574511958 950582730 /nfs/dbraw/zinc/58/27/30/950582730.db2.gz XUDYXHLLJCPMKH-WOSRLPQWSA-N -1 1 393.455 1.186 20 0 GDADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(Cl)cc1 ZINC001575918413 950591748 /nfs/dbraw/zinc/59/17/48/950591748.db2.gz BSZCIIOZQCDFMJ-GXFFZTMASA-N -1 1 384.831 1.447 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575616523 950592145 /nfs/dbraw/zinc/59/21/45/950592145.db2.gz QQMHOGMNSVYZCN-LBPRGKRZSA-N -1 1 384.488 1.989 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575616523 950592176 /nfs/dbraw/zinc/59/21/76/950592176.db2.gz QQMHOGMNSVYZCN-LBPRGKRZSA-N -1 1 384.488 1.989 20 0 GDADMM CC1(C)C(C(=O)NC[C@H]2CCCCN2c2ccnc(-c3nn[n-]n3)n2)C1(C)C ZINC001575617332 950601064 /nfs/dbraw/zinc/60/10/64/950601064.db2.gz ARRNJZOIWPWNSI-GFCCVEGCSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1occ2c1CCC2 ZINC001575919332 950610622 /nfs/dbraw/zinc/61/06/22/950610622.db2.gz GQIRVWCPRJDOKO-ZWNOBZJWSA-N -1 1 380.412 1.454 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1occ2c1CCC2 ZINC001575919332 950610633 /nfs/dbraw/zinc/61/06/33/950610633.db2.gz GQIRVWCPRJDOKO-ZWNOBZJWSA-N -1 1 380.412 1.454 20 0 GDADMM C[C@@H](CNC(=O)c1cc2c([nH]1)CCCC2)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575000872 950617774 /nfs/dbraw/zinc/61/77/74/950617774.db2.gz HLEDPCFBTYTMLU-NSHDSACASA-N -1 1 381.444 1.118 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)cc(Cl)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575001283 950628748 /nfs/dbraw/zinc/62/87/48/950628748.db2.gz JTXUGXDPFRCFAZ-QMMMGPOBSA-N -1 1 376.783 1.102 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001575622269 950634861 /nfs/dbraw/zinc/63/48/61/950634861.db2.gz ATHYPTSRXMPQPR-YABSGUDNSA-N -1 1 382.472 1.280 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001575622269 950634874 /nfs/dbraw/zinc/63/48/74/950634874.db2.gz ATHYPTSRXMPQPR-YABSGUDNSA-N -1 1 382.472 1.280 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cccnn1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574759547 950638641 /nfs/dbraw/zinc/63/86/41/950638641.db2.gz NUNQTYQTSZJYIS-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccnc(C2CC2)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001574759536 950640138 /nfs/dbraw/zinc/64/01/38/950640138.db2.gz NIJZTJBMQWPZRY-LLVKDONJSA-N -1 1 379.428 1.502 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccnc(C2CC2)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001574759536 950640153 /nfs/dbraw/zinc/64/01/53/950640153.db2.gz NIJZTJBMQWPZRY-LLVKDONJSA-N -1 1 379.428 1.502 20 0 GDADMM C[C@@H](CNC(=O)c1cc2c(s1)CCC2)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575001875 950645914 /nfs/dbraw/zinc/64/59/14/950645914.db2.gz NUXRSUPRPXHGFP-SNVBAGLBSA-N -1 1 384.469 1.685 20 0 GDADMM C[C@@H](CNC(=O)c1cc2c(s1)CCC2)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575001875 950645925 /nfs/dbraw/zinc/64/59/25/950645925.db2.gz NUXRSUPRPXHGFP-SNVBAGLBSA-N -1 1 384.469 1.685 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccc2c(c1)COC2 ZINC001575922782 950650403 /nfs/dbraw/zinc/65/04/03/950650403.db2.gz ANXNVCHWLXYACP-IAQYHMDHSA-N -1 1 392.423 1.402 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccc2c(c1)COC2 ZINC001575922782 950650412 /nfs/dbraw/zinc/65/04/12/950650412.db2.gz ANXNVCHWLXYACP-IAQYHMDHSA-N -1 1 392.423 1.402 20 0 GDADMM CC1(C)[C@H](NC(=O)CC2CC2)[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)[C@@H]21 ZINC001575623865 950656507 /nfs/dbraw/zinc/65/65/07/950656507.db2.gz LAXKTKVAVCNZSZ-VUCTXSBTSA-N -1 1 382.472 1.566 20 0 GDADMM CC1(C)[C@H](NC(=O)CC2CC2)[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)[C@@H]21 ZINC001575623865 950656522 /nfs/dbraw/zinc/65/65/22/950656522.db2.gz LAXKTKVAVCNZSZ-VUCTXSBTSA-N -1 1 382.472 1.566 20 0 GDADMM CC1(C)[C@H](NC(=O)CC2CC2)[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)[C@H]21 ZINC001575623857 950656560 /nfs/dbraw/zinc/65/65/60/950656560.db2.gz LAXKTKVAVCNZSZ-CSMYWGQOSA-N -1 1 382.472 1.566 20 0 GDADMM CC1(C)[C@H](NC(=O)CC2CC2)[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)[C@H]21 ZINC001575623857 950656570 /nfs/dbraw/zinc/65/65/70/950656570.db2.gz LAXKTKVAVCNZSZ-CSMYWGQOSA-N -1 1 382.472 1.566 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccncc1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574760130 950656920 /nfs/dbraw/zinc/65/69/20/950656920.db2.gz SZFBUFBOHXKPMZ-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccncc1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574760130 950656930 /nfs/dbraw/zinc/65/69/30/950656930.db2.gz SZFBUFBOHXKPMZ-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001573876311 950668985 /nfs/dbraw/zinc/66/89/85/950668985.db2.gz KJYHEVVZEBHHIE-LXTVHRRPSA-N -1 1 396.499 1.909 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001573876311 950668994 /nfs/dbraw/zinc/66/89/94/950668994.db2.gz KJYHEVVZEBHHIE-LXTVHRRPSA-N -1 1 396.499 1.909 20 0 GDADMM C[C@@H](CNC(=O)c1cc2c(s1)CCCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001575005300 950676916 /nfs/dbraw/zinc/67/69/16/950676916.db2.gz ALEONMKXUUWTKD-JTQLQIEISA-N -1 1 384.469 1.827 20 0 GDADMM C[C@@H](CNC(=O)c1cc2c(s1)CCCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001575005300 950676925 /nfs/dbraw/zinc/67/69/25/950676925.db2.gz ALEONMKXUUWTKD-JTQLQIEISA-N -1 1 384.469 1.827 20 0 GDADMM CC1(C)C2CCC1(C(=O)N[C@@H]1CCN(c3cnc(-c4nnn[n-]4)cn3)C1)CC2 ZINC001575625461 950689268 /nfs/dbraw/zinc/68/92/68/950689268.db2.gz RNQKMQBHCAERNP-FWHMADFJSA-N -1 1 382.472 1.568 20 0 GDADMM CC1(C)C2CCC1(C(=O)N[C@@H]1CCN(c3cnc(-c4nn[n-]n4)cn3)C1)CC2 ZINC001575625461 950689285 /nfs/dbraw/zinc/68/92/85/950689285.db2.gz RNQKMQBHCAERNP-FWHMADFJSA-N -1 1 382.472 1.568 20 0 GDADMM CC(C)c1ncc(C(=O)N(C)C[C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)s1 ZINC001574761681 950702293 /nfs/dbraw/zinc/70/22/93/950702293.db2.gz VELKOPKCYQHBFE-SNVBAGLBSA-N -1 1 387.473 1.231 20 0 GDADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cccc(Cl)c1 ZINC001575926273 950707296 /nfs/dbraw/zinc/70/72/96/950707296.db2.gz XELPCHRPFKTIRJ-ZWNOBZJWSA-N -1 1 384.831 1.447 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573878495 950710920 /nfs/dbraw/zinc/71/09/20/950710920.db2.gz QZADGEGOTBFUNC-MGPQQGTHSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573878495 950710943 /nfs/dbraw/zinc/71/09/43/950710943.db2.gz QZADGEGOTBFUNC-MGPQQGTHSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ncc(Cl)s1 ZINC001575926529 950713045 /nfs/dbraw/zinc/71/30/45/950713045.db2.gz XMTLOBCUMPWHLH-YUMQZZPRSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ncc(Cl)s1 ZINC001575926529 950713059 /nfs/dbraw/zinc/71/30/59/950713059.db2.gz XMTLOBCUMPWHLH-YUMQZZPRSA-N -1 1 391.848 1.482 20 0 GDADMM CC1(C)CC(C(=O)N[C@@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C23CCC3)C1 ZINC001575629350 950733960 /nfs/dbraw/zinc/73/39/60/950733960.db2.gz MQLWPVQLRBPZPW-UONOGXRCSA-N -1 1 382.472 1.932 20 0 GDADMM CC1(C)CC(C(=O)N[C@@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C23CCC3)C1 ZINC001575629350 950733975 /nfs/dbraw/zinc/73/39/75/950733975.db2.gz MQLWPVQLRBPZPW-UONOGXRCSA-N -1 1 382.472 1.932 20 0 GDADMM CC(C)CCC(=O)NC[C@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001574180872 950735282 /nfs/dbraw/zinc/73/52/82/950735282.db2.gz YFDRYIFSOYBUTF-DNVCBOLYSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CCC(=O)NC[C@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001574180872 950735294 /nfs/dbraw/zinc/73/52/94/950735294.db2.gz YFDRYIFSOYBUTF-DNVCBOLYSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1nccs1 ZINC001575927345 950742948 /nfs/dbraw/zinc/74/29/48/950742948.db2.gz PHBGWVKCTNTWJK-WDEREUQCSA-N -1 1 385.457 1.147 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1nccs1 ZINC001575927345 950742958 /nfs/dbraw/zinc/74/29/58/950742958.db2.gz PHBGWVKCTNTWJK-WDEREUQCSA-N -1 1 385.457 1.147 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1nccs1 ZINC001575927342 950745365 /nfs/dbraw/zinc/74/53/65/950745365.db2.gz PHBGWVKCTNTWJK-GHMZBOCLSA-N -1 1 385.457 1.147 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1nccs1 ZINC001575927342 950745374 /nfs/dbraw/zinc/74/53/74/950745374.db2.gz PHBGWVKCTNTWJK-GHMZBOCLSA-N -1 1 385.457 1.147 20 0 GDADMM CC1(C)CC(C(=O)N[C@]23CCC[C@H]2N(c2cncc(-c4nnn[n-]4)n2)CC3)C1 ZINC001575629922 950747218 /nfs/dbraw/zinc/74/72/18/950747218.db2.gz UMVSHEIAHRXAPJ-KUHUBIRLSA-N -1 1 382.472 1.711 20 0 GDADMM CC1(C)CC(C(=O)N[C@]23CCC[C@H]2N(c2cncc(-c4nn[n-]n4)n2)CC3)C1 ZINC001575629922 950747235 /nfs/dbraw/zinc/74/72/35/950747235.db2.gz UMVSHEIAHRXAPJ-KUHUBIRLSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C2CCC2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576217034 950751392 /nfs/dbraw/zinc/75/13/92/950751392.db2.gz GFLNLZAYPMAZFA-QWHCGFSZSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C2CCC2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576217034 950751408 /nfs/dbraw/zinc/75/14/08/950751408.db2.gz GFLNLZAYPMAZFA-QWHCGFSZSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CCCC2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576217055 950754865 /nfs/dbraw/zinc/75/48/65/950754865.db2.gz GLQICZQJFUIDHQ-CMPLNLGQSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CCCC2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576217055 950754873 /nfs/dbraw/zinc/75/48/73/950754873.db2.gz GLQICZQJFUIDHQ-CMPLNLGQSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cnns1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574764749 950759839 /nfs/dbraw/zinc/75/98/39/950759839.db2.gz XSHZHSQEUDXWCG-YFKPBYRVSA-N -1 1 385.866 1.401 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cnns1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574764749 950759855 /nfs/dbraw/zinc/75/98/55/950759855.db2.gz XSHZHSQEUDXWCG-YFKPBYRVSA-N -1 1 385.866 1.401 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C(F)(F)F)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576217417 950764510 /nfs/dbraw/zinc/76/45/10/950764510.db2.gz HPUOFACWAGBMFM-WCBMZHEXSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C(F)(F)F)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576217417 950764521 /nfs/dbraw/zinc/76/45/21/950764521.db2.gz HPUOFACWAGBMFM-WCBMZHEXSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CC1CC(F)(F)C1 ZINC001575928030 950770111 /nfs/dbraw/zinc/77/01/11/950770111.db2.gz XUFCWTROXDXGMH-KOLCDFICSA-N -1 1 378.387 1.493 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CC1CC(F)(F)C1 ZINC001575928030 950770133 /nfs/dbraw/zinc/77/01/33/950770133.db2.gz XUFCWTROXDXGMH-KOLCDFICSA-N -1 1 378.387 1.493 20 0 GDADMM C[C@H](CN(C)C(=O)c1cscc1Cl)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574765088 950775037 /nfs/dbraw/zinc/77/50/37/950775037.db2.gz DOXFVYQDCFJINA-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CN(C)C(=O)c1cscc1Cl)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574765088 950775055 /nfs/dbraw/zinc/77/50/55/950775055.db2.gz DOXFVYQDCFJINA-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM CC(C)(C)c1ccccc1C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573884020 950776122 /nfs/dbraw/zinc/77/61/22/950776122.db2.gz CPDCULBGDDHKLG-CYBMUJFWSA-N -1 1 392.467 1.963 20 0 GDADMM CC(C)(C)c1ccccc1C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573884020 950776135 /nfs/dbraw/zinc/77/61/35/950776135.db2.gz CPDCULBGDDHKLG-CYBMUJFWSA-N -1 1 392.467 1.963 20 0 GDADMM C[C@@H](CN(C)C(=O)c1n[nH]cc1F)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574765168 950777324 /nfs/dbraw/zinc/77/73/24/950777324.db2.gz GIBSVQLBVNSTGQ-YFKPBYRVSA-N -1 1 385.816 1.411 20 0 GDADMM C[C@@H](CN(C)C(=O)c1n[nH]cc1F)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574765168 950777333 /nfs/dbraw/zinc/77/73/33/950777333.db2.gz GIBSVQLBVNSTGQ-YFKPBYRVSA-N -1 1 385.816 1.411 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576219458 950803915 /nfs/dbraw/zinc/80/39/15/950803915.db2.gz NVSLHFXILMBPOK-NXEZZACHSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576219458 950803939 /nfs/dbraw/zinc/80/39/39/950803939.db2.gz NVSLHFXILMBPOK-NXEZZACHSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@H]1[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCN1C(=O)c1cn[nH]c1 ZINC001575931933 950819208 /nfs/dbraw/zinc/81/92/08/950819208.db2.gz JMSHKVSBSHAEHW-POYBYMJQSA-N -1 1 379.837 1.415 20 0 GDADMM C[C@@H]1[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCN1C(=O)c1cncnc1 ZINC001575932203 950821195 /nfs/dbraw/zinc/82/11/95/950821195.db2.gz KKIUPQHCWMXKEE-VXNVDRBHSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCN1C(=O)c1ccncn1 ZINC001575932842 950836438 /nfs/dbraw/zinc/83/64/38/950836438.db2.gz NHGSJYYIEBALRV-YUMQZZPRSA-N -1 1 391.848 1.482 20 0 GDADMM CC(C)CCCC(=O)N1CC[C@@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001574187861 950838553 /nfs/dbraw/zinc/83/85/53/950838553.db2.gz RSFLMNVBPXJQSE-LJQANCHMSA-N -1 1 384.488 1.912 20 0 GDADMM CC1(C)C[C@H](NC(=O)C2=CCCC2)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575638512 950839735 /nfs/dbraw/zinc/83/97/35/950839735.db2.gz FTFCJUMWSBOTCB-CQSZACIVSA-N -1 1 382.472 1.878 20 0 GDADMM CC1(C)C[C@H](NC(=O)C2=CCCC2)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575638512 950839756 /nfs/dbraw/zinc/83/97/56/950839756.db2.gz FTFCJUMWSBOTCB-CQSZACIVSA-N -1 1 382.472 1.878 20 0 GDADMM CC(C)(F)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)CC(C)(C)C1 ZINC001575638839 950842881 /nfs/dbraw/zinc/84/28/81/950842881.db2.gz KIEJLJXAFLKAMM-LLVKDONJSA-N -1 1 376.440 1.516 20 0 GDADMM CC(C)(F)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)CC(C)(C)C1 ZINC001575638839 950842902 /nfs/dbraw/zinc/84/29/02/950842902.db2.gz KIEJLJXAFLKAMM-LLVKDONJSA-N -1 1 376.440 1.516 20 0 GDADMM C[C@H](CN(C)C(=O)c1coc(CC2CC2)n1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574768066 950878095 /nfs/dbraw/zinc/87/80/95/950878095.db2.gz XKUMDOOZJQKNFX-SNVBAGLBSA-N -1 1 383.416 1.170 20 0 GDADMM C[C@H](CN(C)C(=O)c1coc(CC2CC2)n1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574768066 950878120 /nfs/dbraw/zinc/87/81/20/950878120.db2.gz XKUMDOOZJQKNFX-SNVBAGLBSA-N -1 1 383.416 1.170 20 0 GDADMM C[C@H](CN(C)C(=O)c1csc(Cl)n1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574767989 950878728 /nfs/dbraw/zinc/87/87/28/950878728.db2.gz WSSUELAAWSSEHQ-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CN(C)C(=O)c1csc(Cl)n1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574767989 950878745 /nfs/dbraw/zinc/87/87/45/950878745.db2.gz WSSUELAAWSSEHQ-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM CC1(C)C[C@@H](NC(=O)C2=CCCC2)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575640098 950885859 /nfs/dbraw/zinc/88/58/59/950885859.db2.gz XBLFRFIPDBMJSF-AWEZNQCLSA-N -1 1 382.472 1.878 20 0 GDADMM CC1(C)C[C@@H](NC(=O)C2=CCCC2)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575640098 950885869 /nfs/dbraw/zinc/88/58/69/950885869.db2.gz XBLFRFIPDBMJSF-AWEZNQCLSA-N -1 1 382.472 1.878 20 0 GDADMM CC(C)(CC(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001573893663 950892569 /nfs/dbraw/zinc/89/25/69/950892569.db2.gz QEOXTXILFLZXMN-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)(CC(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001573893663 950892580 /nfs/dbraw/zinc/89/25/80/950892580.db2.gz QEOXTXILFLZXMN-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ocnc1C1CC1 ZINC001575936610 950922026 /nfs/dbraw/zinc/92/20/26/950922026.db2.gz GQXIWVDIVLKVIS-GXSJLCMTSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ocnc1C1CC1 ZINC001575936610 950922038 /nfs/dbraw/zinc/92/20/38/950922038.db2.gz GQXIWVDIVLKVIS-GXSJLCMTSA-N -1 1 381.400 1.237 20 0 GDADMM CC1(C)C[C@@H](NC(=O)CCC2CC2)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575641784 950927323 /nfs/dbraw/zinc/92/73/23/950927323.db2.gz RALXATJEBMRJRE-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)C[C@@H](NC(=O)CCC2CC2)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575641784 950927341 /nfs/dbraw/zinc/92/73/41/950927341.db2.gz RALXATJEBMRJRE-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)n1nccc1C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)[C@H]1C ZINC001575936816 950927380 /nfs/dbraw/zinc/92/73/80/950927380.db2.gz INYGHZTZBVNTIR-VXGBXAGGSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1nccc1C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)[C@H]1C ZINC001575936816 950927399 /nfs/dbraw/zinc/92/73/99/950927399.db2.gz INYGHZTZBVNTIR-VXGBXAGGSA-N -1 1 382.432 1.149 20 0 GDADMM CC1(C)C[C@H]1C(=O)N1CCC2(CCN(c3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001575642518 950945299 /nfs/dbraw/zinc/94/52/99/950945299.db2.gz HZQTWMGXZRUKEJ-ZDUSSCGKSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)C[C@H]1C(=O)N1CCC2(CCN(c3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001575642518 950945318 /nfs/dbraw/zinc/94/53/18/950945318.db2.gz HZQTWMGXZRUKEJ-ZDUSSCGKSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)C[C@H](NC(=O)C2CCCC2)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575643009 950954445 /nfs/dbraw/zinc/95/44/45/950954445.db2.gz XBWIAFPGAATUTC-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CN(C(=O)C=Cc2ccco2)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576228863 950954766 /nfs/dbraw/zinc/95/47/66/950954766.db2.gz LKWPADGWLQZTHN-APECEVEPSA-N -1 1 380.412 1.612 20 0 GDADMM C[C@@H]1CN(C(=O)C=Cc2ccco2)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576228863 950954777 /nfs/dbraw/zinc/95/47/77/950954777.db2.gz LKWPADGWLQZTHN-APECEVEPSA-N -1 1 380.412 1.612 20 0 GDADMM CC(C)(CC(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CC1)CC(F)F ZINC001573897316 950959368 /nfs/dbraw/zinc/95/93/68/950959368.db2.gz OIMOXTADAYHPMP-UHFFFAOYSA-N -1 1 380.403 1.789 20 0 GDADMM CC(C)(CC(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CC1)CC(F)F ZINC001573897316 950959385 /nfs/dbraw/zinc/95/93/85/950959385.db2.gz OIMOXTADAYHPMP-UHFFFAOYSA-N -1 1 380.403 1.789 20 0 GDADMM CC1(C)C[C@H]1C(=O)N1CCC[C@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001575643355 950968886 /nfs/dbraw/zinc/96/88/86/950968886.db2.gz LLSYJXDQEMIPNA-ORAYPTAESA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)C[C@H]1C(=O)N1CCC[C@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001575643355 950968906 /nfs/dbraw/zinc/96/89/06/950968906.db2.gz LLSYJXDQEMIPNA-ORAYPTAESA-N -1 1 382.472 1.522 20 0 GDADMM CC(C)(CC(=O)NCC1CCN(c2nccnc2-c2nnn[n-]2)CC1)C1CC1 ZINC001573898055 950969408 /nfs/dbraw/zinc/96/94/08/950969408.db2.gz VZHHYZQUCRRCTQ-UHFFFAOYSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(CC(=O)NCC1CCN(c2nccnc2-c2nn[n-]n2)CC1)C1CC1 ZINC001573898055 950969422 /nfs/dbraw/zinc/96/94/22/950969422.db2.gz VZHHYZQUCRRCTQ-UHFFFAOYSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H]1CN(C(=O)CC(C)(C)C2CC2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576229453 950969586 /nfs/dbraw/zinc/96/95/86/950969586.db2.gz MVCYTALLRHRFCJ-QWHCGFSZSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H]1CN(C(=O)CC(C)(C)C2CC2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576229453 950969598 /nfs/dbraw/zinc/96/95/98/950969598.db2.gz MVCYTALLRHRFCJ-QWHCGFSZSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H]1CN(C(=O)C2CC3(CCC3)C2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576229837 950978735 /nfs/dbraw/zinc/97/87/35/950978735.db2.gz OIPIWGQKOPQFLK-JSGCOSHPSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@H]1CN(C(=O)C2CC3(CCC3)C2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576229837 950978758 /nfs/dbraw/zinc/97/87/58/950978758.db2.gz OIPIWGQKOPQFLK-JSGCOSHPSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc(Cl)cn1C ZINC001575938486 950979690 /nfs/dbraw/zinc/97/96/90/950979690.db2.gz OEGIGSZFKQVLJG-KOLCDFICSA-N -1 1 387.835 1.364 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc(Cl)cn1C ZINC001575938486 950979701 /nfs/dbraw/zinc/97/97/01/950979701.db2.gz OEGIGSZFKQVLJG-KOLCDFICSA-N -1 1 387.835 1.364 20 0 GDADMM C[C@@H]1CN(C(=O)C2(CCF)CC2)CC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576230478 951006121 /nfs/dbraw/zinc/00/61/21/951006121.db2.gz MJGZPQVVBFZKQZ-CHWSQXEVSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@@H]1CN(C(=O)C2(CCF)CC2)CC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576230478 951006143 /nfs/dbraw/zinc/00/61/43/951006143.db2.gz MJGZPQVVBFZKQZ-CHWSQXEVSA-N -1 1 388.451 1.693 20 0 GDADMM CCOC(=O)N1C[C@H](CO)[C@H](NCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)C1 ZINC001590873470 951006911 /nfs/dbraw/zinc/00/69/11/951006911.db2.gz NTGDNNHLGPUERL-IIAWOOMASA-N -1 1 395.456 1.119 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)s1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575023538 951080148 /nfs/dbraw/zinc/08/01/48/951080148.db2.gz NGYQOZZJCBMKBH-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)s1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575023538 951080155 /nfs/dbraw/zinc/08/01/55/951080155.db2.gz NGYQOZZJCBMKBH-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001575024989 951122792 /nfs/dbraw/zinc/12/27/92/951122792.db2.gz RDYLZPOUVHGTRG-GFCCVEGCSA-N -1 1 378.440 1.766 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001575024989 951122801 /nfs/dbraw/zinc/12/28/01/951122801.db2.gz RDYLZPOUVHGTRG-GFCCVEGCSA-N -1 1 378.440 1.766 20 0 GDADMM C[C@@H](CNC(=O)c1ccccc1-c1cn[nH]c1)Nc1nccnc1-c1nnn[n-]1 ZINC001575027957 951165669 /nfs/dbraw/zinc/16/56/69/951165669.db2.gz JWJKSENQFAKQCJ-NSHDSACASA-N -1 1 390.411 1.277 20 0 GDADMM C[C@@H](CNC(=O)c1ccccc1-c1cn[nH]c1)Nc1nccnc1-c1nn[n-]n1 ZINC001575027957 951165679 /nfs/dbraw/zinc/16/56/79/951165679.db2.gz JWJKSENQFAKQCJ-NSHDSACASA-N -1 1 390.411 1.277 20 0 GDADMM O=C([O-])CC[C@H]1C[C@H](C(=O)Nc2cc(C(=O)OCc3ccccc3)[nH]n2)CO1 ZINC001595004929 951186392 /nfs/dbraw/zinc/18/63/92/951186392.db2.gz MDIHHVWONUUZLT-KBPBESRZSA-N -1 1 387.392 1.975 20 0 GDADMM C[C@@H](CNC(=O)c1ccccn1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575031677 951200659 /nfs/dbraw/zinc/20/06/59/951200659.db2.gz GOXUUVAAJAQZOL-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@H](CNC(=O)c1ccnn1C)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575034956 951260569 /nfs/dbraw/zinc/26/05/69/951260569.db2.gz RGADGIOKDAGORK-SSDOTTSWSA-N -1 1 381.853 1.188 20 0 GDADMM C[C@H](CNC(=O)c1ccnn1C)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575034956 951260585 /nfs/dbraw/zinc/26/05/85/951260585.db2.gz RGADGIOKDAGORK-SSDOTTSWSA-N -1 1 381.853 1.188 20 0 GDADMM CCOc1ncccc1C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001593122784 951406478 /nfs/dbraw/zinc/40/64/78/951406478.db2.gz HDYMXURUEPRCJA-MNOVXSKESA-N -1 1 389.330 1.217 20 0 GDADMM C[C@H](CNC(=O)c1cncnc1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575045585 951430329 /nfs/dbraw/zinc/43/03/29/951430329.db2.gz DXPYGNFPKBMEOO-SSDOTTSWSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@H](CNC(=O)c1cncnc1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575045585 951430338 /nfs/dbraw/zinc/43/03/38/951430338.db2.gz DXPYGNFPKBMEOO-SSDOTTSWSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@H](CNC(=O)c1cncnc1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575045796 951433396 /nfs/dbraw/zinc/43/33/96/951433396.db2.gz HUMCYWZLXWRAQE-SSDOTTSWSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@H](CNC(=O)c1cncnc1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575045796 951433401 /nfs/dbraw/zinc/43/34/01/951433401.db2.gz HUMCYWZLXWRAQE-SSDOTTSWSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@H](CNC(=O)c1cncnc1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001575046029 951439158 /nfs/dbraw/zinc/43/91/58/951439158.db2.gz KTYLHVXUNCDQTQ-SSDOTTSWSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@H](CNC(=O)c1cncnc1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001575046029 951439164 /nfs/dbraw/zinc/43/91/64/951439164.db2.gz KTYLHVXUNCDQTQ-SSDOTTSWSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@@H](CNC(=O)c1coc(-c2nnn[n-]2)c1)c1ccc(S(C)(=O)=O)cc1 ZINC001575058942 951538529 /nfs/dbraw/zinc/53/85/29/951538529.db2.gz WWUOHNSXWMHTKH-JTQLQIEISA-N -1 1 375.410 1.397 20 0 GDADMM C[C@@H](CNC(=O)c1coc(-c2nn[n-]n2)c1)c1ccc(S(C)(=O)=O)cc1 ZINC001575058942 951538535 /nfs/dbraw/zinc/53/85/35/951538535.db2.gz WWUOHNSXWMHTKH-JTQLQIEISA-N -1 1 375.410 1.397 20 0 GDADMM C[C@@H](CNC(=O)c1cscc1C(F)F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575060631 951542550 /nfs/dbraw/zinc/54/25/50/951542550.db2.gz BOBUIEZADHGDQU-ZETCQYMHSA-N -1 1 380.384 1.886 20 0 GDADMM C[C@@H](CNC(=O)c1cscc1C(F)F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575060631 951542557 /nfs/dbraw/zinc/54/25/57/951542557.db2.gz BOBUIEZADHGDQU-ZETCQYMHSA-N -1 1 380.384 1.886 20 0 GDADMM CC(C)c1nnsc1C(=O)NC[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575069602 951645690 /nfs/dbraw/zinc/64/56/90/951645690.db2.gz KZKKTOQBIYPXMV-VIFPVBQESA-N -1 1 388.461 1.110 20 0 GDADMM CC(C)c1nnsc1C(=O)NC[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575069602 951645694 /nfs/dbraw/zinc/64/56/94/951645694.db2.gz KZKKTOQBIYPXMV-VIFPVBQESA-N -1 1 388.461 1.110 20 0 GDADMM CC(C)c1nnsc1C(=O)NC[C@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001575071217 951657264 /nfs/dbraw/zinc/65/72/64/951657264.db2.gz YMOIXOBGCJJANG-SECBINFHSA-N -1 1 388.461 1.110 20 0 GDADMM CC(C)c1nnsc1C(=O)NC[C@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001575071217 951657267 /nfs/dbraw/zinc/65/72/67/951657267.db2.gz YMOIXOBGCJJANG-SECBINFHSA-N -1 1 388.461 1.110 20 0 GDADMM O=C([O-])CN1CC[C@@H](N[C@@]2(c3ccc(Br)cc3)C[C@@H](O)C2)C1=O ZINC001595081800 951688597 /nfs/dbraw/zinc/68/85/97/951688597.db2.gz XKNIUMWPHXTCKP-IOASZLSFSA-N -1 1 383.242 1.074 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)Cc1c(F)cccc1F ZINC001575134256 952109148 /nfs/dbraw/zinc/10/91/48/952109148.db2.gz NGEAQCQSSXZQEL-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)Cc1c(F)cccc1F ZINC001575134256 952109153 /nfs/dbraw/zinc/10/91/53/952109153.db2.gz NGEAQCQSSXZQEL-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)[C@@H]1Cc2ccccc21)C1CC1 ZINC001575134495 952111270 /nfs/dbraw/zinc/11/12/70/952111270.db2.gz INZHLKIWEFVUCJ-FOIQADDNSA-N -1 1 390.451 1.115 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H](C)Cc1ccccc1 ZINC001575141505 952145294 /nfs/dbraw/zinc/14/52/94/952145294.db2.gz HPTOGGAJTJNJPR-UONOGXRCSA-N -1 1 380.456 1.216 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC001575143634 952155679 /nfs/dbraw/zinc/15/56/79/952155679.db2.gz QFTAKVIGMPKYFS-MGPQQGTHSA-N -1 1 384.488 1.554 20 0 GDADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)c1ccoc1Cl)C1CC1 ZINC001575143645 952155699 /nfs/dbraw/zinc/15/56/99/952155699.db2.gz QHYOXPSINDUSDE-MRXNPFEDSA-N -1 1 388.819 1.336 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cccc2c1CCCC2 ZINC001575143903 952159904 /nfs/dbraw/zinc/15/99/04/952159904.db2.gz DOWSTCYVRMTQIS-CYBMUJFWSA-N -1 1 392.467 1.530 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H](c1ccccc1)C1CC1 ZINC001575144381 952166722 /nfs/dbraw/zinc/16/67/22/952166722.db2.gz VBZZQPCVBTUTQV-SUMWQHHRSA-N -1 1 392.467 1.531 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C1(c2ccccc2)CCC1 ZINC001575144910 952174580 /nfs/dbraw/zinc/17/45/80/952174580.db2.gz ZCXBZUSMQBBDAM-CQSZACIVSA-N -1 1 392.467 1.459 20 0 GDADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)C1CCC(F)CC1)C1CC1 ZINC001575148122 952202427 /nfs/dbraw/zinc/20/24/27/952202427.db2.gz XNHYMDYKVLVPNQ-LPSAFJIBSA-N -1 1 388.451 1.882 20 0 GDADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)C1CCC(F)CC1)C1CC1 ZINC001575148122 952202431 /nfs/dbraw/zinc/20/24/31/952202431.db2.gz XNHYMDYKVLVPNQ-LPSAFJIBSA-N -1 1 388.451 1.882 20 0 GDADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)Cc1ccsc1)C1CC1 ZINC001575153433 952210144 /nfs/dbraw/zinc/21/01/44/952210144.db2.gz HJMXMMGQDFBBTB-KRWDZBQOSA-N -1 1 384.469 1.658 20 0 GDADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)Cc1ccsc1)C1CC1 ZINC001575153433 952210150 /nfs/dbraw/zinc/21/01/50/952210150.db2.gz HJMXMMGQDFBBTB-KRWDZBQOSA-N -1 1 384.469 1.658 20 0 GDADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)c1ccc(Cl)[nH]1)C1CC1 ZINC001575153748 952213639 /nfs/dbraw/zinc/21/36/39/952213639.db2.gz KMIDGKUOYZCLNP-MRXNPFEDSA-N -1 1 387.835 1.649 20 0 GDADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)c1ccc(Cl)[nH]1)C1CC1 ZINC001575153748 952213644 /nfs/dbraw/zinc/21/36/44/952213644.db2.gz KMIDGKUOYZCLNP-MRXNPFEDSA-N -1 1 387.835 1.649 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)C1Cc2ccccc2C1 ZINC001575154221 952217986 /nfs/dbraw/zinc/21/79/86/952217986.db2.gz QGDWRUJRYRCCHN-GFCCVEGCSA-N -1 1 378.440 1.331 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)C1Cc2ccccc2C1 ZINC001575154221 952217990 /nfs/dbraw/zinc/21/79/90/952217990.db2.gz QGDWRUJRYRCCHN-GFCCVEGCSA-N -1 1 378.440 1.331 20 0 GDADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)c1sccc1F)C1CC1 ZINC001575155328 952237246 /nfs/dbraw/zinc/23/72/46/952237246.db2.gz KZTYASGHUWKQEE-INIZCTEOSA-N -1 1 388.432 1.868 20 0 GDADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)c1sccc1F)C1CC1 ZINC001575155328 952237253 /nfs/dbraw/zinc/23/72/53/952237253.db2.gz KZTYASGHUWKQEE-INIZCTEOSA-N -1 1 388.432 1.868 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1CCc2ccccc2C1 ZINC001575155500 952240266 /nfs/dbraw/zinc/24/02/66/952240266.db2.gz ZVMLLVJQAILLNV-XJKSGUPXSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1CCc2ccccc2C1 ZINC001575155500 952240273 /nfs/dbraw/zinc/24/02/73/952240273.db2.gz ZVMLLVJQAILLNV-XJKSGUPXSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)[C@@H]1CCCOCC1)C1CC1 ZINC001575156230 952250717 /nfs/dbraw/zinc/25/07/17/952250717.db2.gz RBZGOSAJVWNAAM-KZULUSFZSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)[C@@H]1CCCOCC1)C1CC1 ZINC001575156230 952250720 /nfs/dbraw/zinc/25/07/20/952250720.db2.gz RBZGOSAJVWNAAM-KZULUSFZSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)c1cccn1C ZINC001575164201 952287820 /nfs/dbraw/zinc/28/78/20/952287820.db2.gz CAMHWTMSKQDGTO-QMMMGPOBSA-N -1 1 380.865 1.888 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)c1cccn1C ZINC001575164201 952287827 /nfs/dbraw/zinc/28/78/27/952287827.db2.gz CAMHWTMSKQDGTO-QMMMGPOBSA-N -1 1 380.865 1.888 20 0 GDADMM O=C([O-])[C@H]1CCCN(C(=O)c2cccc(I)c2O)C1 ZINC001595196902 952303019 /nfs/dbraw/zinc/30/30/19/952303019.db2.gz LAKIGYMSTBCXAJ-QMMMGPOBSA-N -1 1 375.162 1.934 20 0 GDADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)c1cncnc1 ZINC001575165119 952304295 /nfs/dbraw/zinc/30/42/95/952304295.db2.gz LKBMDYXUAKBWTO-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1coc(C(F)F)c1 ZINC001575174634 952377038 /nfs/dbraw/zinc/37/70/38/952377038.db2.gz BDMDDTCWQIINQO-MRVPVSSYSA-N -1 1 378.343 1.760 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1coc(C(F)F)c1 ZINC001575174634 952377045 /nfs/dbraw/zinc/37/70/45/952377045.db2.gz BDMDDTCWQIINQO-MRVPVSSYSA-N -1 1 378.343 1.760 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1noc2c1CCCC2 ZINC001575174673 952377186 /nfs/dbraw/zinc/37/71/86/952377186.db2.gz CGHBLMHTVBGUDX-SNVBAGLBSA-N -1 1 383.416 1.096 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1noc2c1CCCC2 ZINC001575174673 952377193 /nfs/dbraw/zinc/37/71/93/952377193.db2.gz CGHBLMHTVBGUDX-SNVBAGLBSA-N -1 1 383.416 1.096 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1COc2ccccc21 ZINC001575174946 952381764 /nfs/dbraw/zinc/38/17/64/952381764.db2.gz UQKXBFOMNZJIAO-DGCLKSJQSA-N -1 1 380.412 1.092 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1COc2ccccc21 ZINC001575174946 952381771 /nfs/dbraw/zinc/38/17/71/952381771.db2.gz UQKXBFOMNZJIAO-DGCLKSJQSA-N -1 1 380.412 1.092 20 0 GDADMM CC(C)(C)OC(=O)NC1CCN(CCNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1 ZINC001602903113 971830843 /nfs/dbraw/zinc/83/08/43/971830843.db2.gz LJBVCBJSPDFQOB-UONOGXRCSA-N -1 1 383.489 1.593 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cnn(C(C)(C)C)c1 ZINC001575181176 952421273 /nfs/dbraw/zinc/42/12/73/952421273.db2.gz ZSYDDGBHPQNOJG-LLVKDONJSA-N -1 1 384.448 1.181 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cnn(C(C)(C)C)c1 ZINC001575181176 952421278 /nfs/dbraw/zinc/42/12/78/952421278.db2.gz ZSYDDGBHPQNOJG-LLVKDONJSA-N -1 1 384.448 1.181 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)Cn1cccn1 ZINC001575180992 952421369 /nfs/dbraw/zinc/42/13/69/952421369.db2.gz ZHYNJTVBLSIYQP-QMMMGPOBSA-N -1 1 381.853 1.132 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)Cn1cccn1 ZINC001575180992 952421379 /nfs/dbraw/zinc/42/13/79/952421379.db2.gz ZHYNJTVBLSIYQP-QMMMGPOBSA-N -1 1 381.853 1.132 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cnn(C(C)(C)C)c1 ZINC001575181179 952421737 /nfs/dbraw/zinc/42/17/37/952421737.db2.gz ZSYDDGBHPQNOJG-NSHDSACASA-N -1 1 384.448 1.181 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cnn(C(C)(C)C)c1 ZINC001575181179 952421741 /nfs/dbraw/zinc/42/17/41/952421741.db2.gz ZSYDDGBHPQNOJG-NSHDSACASA-N -1 1 384.448 1.181 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575188087 952446649 /nfs/dbraw/zinc/44/66/49/952446649.db2.gz HIUVRBHPUZHMRT-OLZOCXBDSA-N -1 1 382.428 1.166 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575188087 952446652 /nfs/dbraw/zinc/44/66/52/952446652.db2.gz HIUVRBHPUZHMRT-OLZOCXBDSA-N -1 1 382.428 1.166 20 0 GDADMM O=C(COc1ccc(CO)cc1)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001571115770 952470715 /nfs/dbraw/zinc/47/07/15/952470715.db2.gz ZKBUOKLSFYAKOP-UHFFFAOYSA-N -1 1 375.335 1.332 20 0 GDADMM O=C(COc1ccc(CO)cc1)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001571115770 952470721 /nfs/dbraw/zinc/47/07/21/952470721.db2.gz ZKBUOKLSFYAKOP-UHFFFAOYSA-N -1 1 375.335 1.332 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575195831 952472062 /nfs/dbraw/zinc/47/20/62/952472062.db2.gz BVDZXQYMEPYCEI-CYBMUJFWSA-N -1 1 382.428 1.167 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575195831 952472066 /nfs/dbraw/zinc/47/20/66/952472066.db2.gz BVDZXQYMEPYCEI-CYBMUJFWSA-N -1 1 382.428 1.167 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCC1 ZINC001575195847 952473342 /nfs/dbraw/zinc/47/33/42/952473342.db2.gz BYNXJKCOYRKCRU-GFCCVEGCSA-N -1 1 382.428 1.579 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCC1 ZINC001575195847 952473348 /nfs/dbraw/zinc/47/33/48/952473348.db2.gz BYNXJKCOYRKCRU-GFCCVEGCSA-N -1 1 382.428 1.579 20 0 GDADMM O=C(N[C@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2)c1ccccc1 ZINC001571120464 952503187 /nfs/dbraw/zinc/50/31/87/952503187.db2.gz NFXFXZTWZQMOSX-AWEZNQCLSA-N -1 1 376.424 1.446 20 0 GDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@@H]1Cc2cc(Br)ccc2O1 ZINC001571120527 952504671 /nfs/dbraw/zinc/50/46/71/952504671.db2.gz MYUQAMRBWJAJLP-JTQLQIEISA-N -1 1 376.174 1.295 20 0 GDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@@H]1Cc2cc(Br)ccc2O1 ZINC001571120527 952504676 /nfs/dbraw/zinc/50/46/76/952504676.db2.gz MYUQAMRBWJAJLP-JTQLQIEISA-N -1 1 376.174 1.295 20 0 GDADMM O=C(N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)[C@@H]1Cc2ccccc21 ZINC001571120859 952510612 /nfs/dbraw/zinc/51/06/12/952510612.db2.gz RUBPSOKATWAWMY-UKRRQHHQSA-N -1 1 376.424 1.082 20 0 GDADMM O=C(N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)[C@@H]1Cc2ccccc21 ZINC001571120859 952510616 /nfs/dbraw/zinc/51/06/16/952510616.db2.gz RUBPSOKATWAWMY-UKRRQHHQSA-N -1 1 376.424 1.082 20 0 GDADMM O=C(N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)[C@@H]1Cc2ccccc21 ZINC001571120857 952510658 /nfs/dbraw/zinc/51/06/58/952510658.db2.gz RUBPSOKATWAWMY-DZGCQCFKSA-N -1 1 376.424 1.082 20 0 GDADMM O=C(N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)[C@@H]1Cc2ccccc21 ZINC001571120857 952510661 /nfs/dbraw/zinc/51/06/61/952510661.db2.gz RUBPSOKATWAWMY-DZGCQCFKSA-N -1 1 376.424 1.082 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@H]2C)cc1 ZINC001571121161 952515878 /nfs/dbraw/zinc/51/58/78/952515878.db2.gz XARYMRGHSCBPBI-DOMZBBRYSA-N -1 1 376.424 1.437 20 0 GDADMM Cc1nsc(N[C@H]2CCCN(C(=O)c3cc(F)c[nH]3)C2)c1-c1nn[n-]n1 ZINC001571121319 952518762 /nfs/dbraw/zinc/51/87/62/952518762.db2.gz YIIZXKUHXHAVAV-JTQLQIEISA-N -1 1 376.421 1.816 20 0 GDADMM O=C(N[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1)c1ccncc1 ZINC001571121754 952522098 /nfs/dbraw/zinc/52/20/98/952522098.db2.gz CVKJQMYMPLPEDV-VIFPVBQESA-N -1 1 376.833 1.380 20 0 GDADMM O=C(N[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1)c1ccncc1 ZINC001571121754 952522103 /nfs/dbraw/zinc/52/21/03/952522103.db2.gz CVKJQMYMPLPEDV-VIFPVBQESA-N -1 1 376.833 1.380 20 0 GDADMM Cc1nsc(NC[C@H]2C[C@H](NC(=O)[C@@]3(C)CCOC3)C2)c1-c1nn[n-]n1 ZINC001571128045 952561834 /nfs/dbraw/zinc/56/18/34/952561834.db2.gz OABNVNNZRPAJDV-MMPTUQATSA-N -1 1 377.474 1.365 20 0 GDADMM Cc1nsc(NC2CCN(C(=O)[C@H]3C[C@H](C)CO3)CC2)c1-c1nn[n-]n1 ZINC001571128571 952568627 /nfs/dbraw/zinc/56/86/27/952568627.db2.gz UVODYFDFJMACKS-JOYOIKCWSA-N -1 1 377.474 1.460 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NCC1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575215492 952569608 /nfs/dbraw/zinc/56/96/08/952569608.db2.gz URGYPKGDCHGVHN-UHFFFAOYSA-N -1 1 380.403 1.067 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575215872 952570134 /nfs/dbraw/zinc/57/01/34/952570134.db2.gz XPGXYBUWFSTDNL-SNVBAGLBSA-N -1 1 380.403 1.599 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575215872 952570138 /nfs/dbraw/zinc/57/01/38/952570138.db2.gz XPGXYBUWFSTDNL-SNVBAGLBSA-N -1 1 380.403 1.599 20 0 GDADMM COC(=O)[C@]12CCC[C@H]1N(C(=O)Nc1snc(C)c1-c1nnn[n-]1)CC2 ZINC001571128907 952572202 /nfs/dbraw/zinc/57/22/02/952572202.db2.gz XVJVEYNVCNWWGV-PSLIRLAXSA-N -1 1 377.430 1.581 20 0 GDADMM COC(=O)[C@]12CCC[C@H]1N(C(=O)Nc1snc(C)c1-c1nn[n-]n1)CC2 ZINC001571128907 952572203 /nfs/dbraw/zinc/57/22/03/952572203.db2.gz XVJVEYNVCNWWGV-PSLIRLAXSA-N -1 1 377.430 1.581 20 0 GDADMM CC1(C)CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)[C@H]1CCC1(F)F ZINC001571129497 952575103 /nfs/dbraw/zinc/57/51/03/952575103.db2.gz FEPLXNCBWUXMLY-NXEZZACHSA-N -1 1 378.387 1.033 20 0 GDADMM O=C(C[C@@H]1CCC(F)(F)C1)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571130236 952579558 /nfs/dbraw/zinc/57/95/58/952579558.db2.gz QLIMUMBKAQFZRM-NSHDSACASA-N -1 1 378.387 1.131 20 0 GDADMM O=C(C[C@@H]1CCC(F)(F)C1)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571130236 952579560 /nfs/dbraw/zinc/57/95/60/952579560.db2.gz QLIMUMBKAQFZRM-NSHDSACASA-N -1 1 378.387 1.131 20 0 GDADMM Cc1ccc(C(=O)NC2(C)CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC001571134122 952585847 /nfs/dbraw/zinc/58/58/47/952585847.db2.gz DYBDKMXJKYQISS-UHFFFAOYSA-N -1 1 378.440 1.754 20 0 GDADMM Cc1ccc(C(=O)NC2(C)CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)cc1 ZINC001571134122 952585853 /nfs/dbraw/zinc/58/58/53/952585853.db2.gz DYBDKMXJKYQISS-UHFFFAOYSA-N -1 1 378.440 1.754 20 0 GDADMM Cc1ccc(C(=O)N[C@]2(C)CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c(C)c1 ZINC001571134356 952589475 /nfs/dbraw/zinc/58/94/75/952589475.db2.gz HTXDGZSQUMYVKJ-LJQANCHMSA-N -1 1 378.440 1.672 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC2CCN(C(=O)c3ccccc3C)CC2)n1 ZINC001571134386 952589846 /nfs/dbraw/zinc/58/98/46/952589846.db2.gz FJEMAUKYIUDHDM-UHFFFAOYSA-N -1 1 378.440 1.990 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC2CCN(C(=O)c3ccccc3C)CC2)n1 ZINC001571134386 952589849 /nfs/dbraw/zinc/58/98/49/952589849.db2.gz FJEMAUKYIUDHDM-UHFFFAOYSA-N -1 1 378.440 1.990 20 0 GDADMM Cc1cc(C)c(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)CC2)c(C)c1 ZINC001571134366 952590086 /nfs/dbraw/zinc/59/00/86/952590086.db2.gz DYHNTFDEAPBZBH-UHFFFAOYSA-N -1 1 378.440 1.544 20 0 GDADMM Cc1cc(C)c(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)CC2)c(C)c1 ZINC001571134366 952590088 /nfs/dbraw/zinc/59/00/88/952590088.db2.gz DYHNTFDEAPBZBH-UHFFFAOYSA-N -1 1 378.440 1.544 20 0 GDADMM Cc1cccc(C(=O)N2CCC[C@H]2CNc2nc(C)cc(-c3nnn[n-]3)n2)c1 ZINC001571134659 952593900 /nfs/dbraw/zinc/59/39/00/952593900.db2.gz LFNFEDYMCRBXKX-HNNXBMFYSA-N -1 1 378.440 1.990 20 0 GDADMM Cc1cccc(C(=O)N2CCC[C@H]2CNc2nc(C)cc(-c3nn[n-]n3)n2)c1 ZINC001571134659 952593903 /nfs/dbraw/zinc/59/39/03/952593903.db2.gz LFNFEDYMCRBXKX-HNNXBMFYSA-N -1 1 378.440 1.990 20 0 GDADMM Cc1cccc(C)c1C(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571134836 952596397 /nfs/dbraw/zinc/59/63/97/952596397.db2.gz OGIDAMUJYSWCOP-AWEZNQCLSA-N -1 1 378.440 1.990 20 0 GDADMM Cc1cccc(C)c1C(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571134836 952596401 /nfs/dbraw/zinc/59/64/01/952596401.db2.gz OGIDAMUJYSWCOP-AWEZNQCLSA-N -1 1 378.440 1.990 20 0 GDADMM Cc1ccc(CC(=O)N2CCC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001571135393 952603787 /nfs/dbraw/zinc/60/37/87/952603787.db2.gz WSCHBOXPBXCODG-HNNXBMFYSA-N -1 1 378.440 1.611 20 0 GDADMM Cc1ccc(CC(=O)N2CCC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001571135393 952603791 /nfs/dbraw/zinc/60/37/91/952603791.db2.gz WSCHBOXPBXCODG-HNNXBMFYSA-N -1 1 378.440 1.611 20 0 GDADMM COC(=O)c1ccc(Nc2ccc3c(c2)CCC(=O)N3C)c(-c2nnn[n-]2)n1 ZINC001571140040 952623751 /nfs/dbraw/zinc/62/37/51/952623751.db2.gz NWXVCUJYPQNFQI-UHFFFAOYSA-N -1 1 379.380 1.701 20 0 GDADMM COC(=O)c1ccc(Nc2ccc3c(c2)CCC(=O)N3C)c(-c2nn[n-]n2)n1 ZINC001571140040 952623754 /nfs/dbraw/zinc/62/37/54/952623754.db2.gz NWXVCUJYPQNFQI-UHFFFAOYSA-N -1 1 379.380 1.701 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CC[C@@H]2[C@@H](CCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001571146957 952655568 /nfs/dbraw/zinc/65/55/68/952655568.db2.gz DSTFPGJNCSWEQK-GXTWGEPZSA-N -1 1 379.428 1.034 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CC[C@@H]2[C@@H](CCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001571146957 952655574 /nfs/dbraw/zinc/65/55/74/952655574.db2.gz DSTFPGJNCSWEQK-GXTWGEPZSA-N -1 1 379.428 1.034 20 0 GDADMM CCc1cccc(C(=O)N2CCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)n1 ZINC001571147995 952664347 /nfs/dbraw/zinc/66/43/47/952664347.db2.gz SURLIPYUINBIBG-CYBMUJFWSA-N -1 1 379.428 1.331 20 0 GDADMM CCc1cccc(C(=O)N2CCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)n1 ZINC001571147995 952664351 /nfs/dbraw/zinc/66/43/51/952664351.db2.gz SURLIPYUINBIBG-CYBMUJFWSA-N -1 1 379.428 1.331 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001571148210 952665375 /nfs/dbraw/zinc/66/53/75/952665375.db2.gz VOPLBLQAXAIUQO-KBPBESRZSA-N -1 1 379.428 1.177 20 0 GDADMM CCc1ccnc(C(=O)N[C@H]2C[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571148076 952665424 /nfs/dbraw/zinc/66/54/24/952665424.db2.gz UIJPTEMMANCNOY-JOCQHMNTSA-N -1 1 379.428 1.235 20 0 GDADMM CCc1ccnc(C(=O)N[C@H]2C[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571148076 952665429 /nfs/dbraw/zinc/66/54/29/952665429.db2.gz UIJPTEMMANCNOY-JOCQHMNTSA-N -1 1 379.428 1.235 20 0 GDADMM O=C(c1cccnc1)N1CCC[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571151692 952677410 /nfs/dbraw/zinc/67/74/10/952677410.db2.gz UUDPMMXZBQQYRN-CYBMUJFWSA-N -1 1 379.428 1.406 20 0 GDADMM O=C(c1cccnc1)N1CCC[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571151692 952677423 /nfs/dbraw/zinc/67/74/23/952677423.db2.gz UUDPMMXZBQQYRN-CYBMUJFWSA-N -1 1 379.428 1.406 20 0 GDADMM Cc1nsc(N[C@H](C)[C@H]2CN(C(=O)C(C)(C)C)CCO2)c1-c1nn[n-]n1 ZINC001571152880 952684033 /nfs/dbraw/zinc/68/40/33/952684033.db2.gz KCWBCIACJXIDAB-MWLCHTKSSA-N -1 1 379.490 1.706 20 0 GDADMM CN(C(=O)c1ccco1)[C@@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571153681 952687333 /nfs/dbraw/zinc/68/73/33/952687333.db2.gz URHZJFWXCWGRMI-MRVPVSSYSA-N -1 1 379.833 1.921 20 0 GDADMM CN(C(=O)c1ccco1)[C@@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571153681 952687343 /nfs/dbraw/zinc/68/73/43/952687343.db2.gz URHZJFWXCWGRMI-MRVPVSSYSA-N -1 1 379.833 1.921 20 0 GDADMM CCOc1cccc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571154859 952690697 /nfs/dbraw/zinc/69/06/97/952690697.db2.gz CMPVCAPWJQEYOZ-CYBMUJFWSA-N -1 1 380.412 1.382 20 0 GDADMM CCOc1cccc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571154859 952690699 /nfs/dbraw/zinc/69/06/99/952690699.db2.gz CMPVCAPWJQEYOZ-CYBMUJFWSA-N -1 1 380.412 1.382 20 0 GDADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1CNc1ncccc1-c1nn[nH]n1 ZINC001571155342 952696003 /nfs/dbraw/zinc/69/60/03/952696003.db2.gz OSQJHCWIOVULSG-NEPJUHHUSA-N -1 1 380.412 1.183 20 0 GDADMM C[C@H](Nc1nccnc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)c2ccccc2O)C1 ZINC001571155693 952698820 /nfs/dbraw/zinc/69/88/20/952698820.db2.gz XVSULKRGURPDOK-NWDGAFQWSA-N -1 1 380.412 1.325 20 0 GDADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)c2ccccc2O)C1 ZINC001571155693 952698823 /nfs/dbraw/zinc/69/88/23/952698823.db2.gz XVSULKRGURPDOK-NWDGAFQWSA-N -1 1 380.412 1.325 20 0 GDADMM Cc1ccncc1C(=O)N1C[C@@H](CNc2nccnc2-c2nnn[n-]2)[C@H](C)C1 ZINC001571156745 952704344 /nfs/dbraw/zinc/70/43/44/952704344.db2.gz IPNSSGFOSBLYHJ-CHWSQXEVSA-N -1 1 379.428 1.180 20 0 GDADMM Cc1ccncc1C(=O)N1C[C@@H](CNc2nccnc2-c2nn[n-]n2)[C@H](C)C1 ZINC001571156745 952704350 /nfs/dbraw/zinc/70/43/50/952704350.db2.gz IPNSSGFOSBLYHJ-CHWSQXEVSA-N -1 1 379.428 1.180 20 0 GDADMM Cc1cncc(CC(=O)N2CCC[C@H]2CNc2cncc(-c3nnn[n-]3)n2)c1 ZINC001571157245 952706826 /nfs/dbraw/zinc/70/68/26/952706826.db2.gz NXFDKZQDWWKEPM-AWEZNQCLSA-N -1 1 379.428 1.006 20 0 GDADMM Cc1cncc(CC(=O)N2CCC[C@H]2CNc2cncc(-c3nn[n-]n3)n2)c1 ZINC001571157245 952706829 /nfs/dbraw/zinc/70/68/29/952706829.db2.gz NXFDKZQDWWKEPM-AWEZNQCLSA-N -1 1 379.428 1.006 20 0 GDADMM Cc1ccc(C(=O)NC[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571158899 952714283 /nfs/dbraw/zinc/71/42/83/952714283.db2.gz TZWBMSHAFOTVOT-CYBMUJFWSA-N -1 1 379.428 1.007 20 0 GDADMM Cc1cc(C)c(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)c(C)n1 ZINC001571158928 952715495 /nfs/dbraw/zinc/71/54/95/952715495.db2.gz ULWRHHQTHLTFMC-ZDUSSCGKSA-N -1 1 379.428 1.304 20 0 GDADMM Cc1cc(C)c(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)c(C)n1 ZINC001571158928 952715499 /nfs/dbraw/zinc/71/54/99/952715499.db2.gz ULWRHHQTHLTFMC-ZDUSSCGKSA-N -1 1 379.428 1.304 20 0 GDADMM O=C([C@@H]1C[C@H]1c1ccco1)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571160857 952728259 /nfs/dbraw/zinc/72/82/59/952728259.db2.gz NKRBMNSVNFZTDV-JHJVBQTASA-N -1 1 380.412 1.456 20 0 GDADMM O=C([C@@H]1C[C@H]1c1ccco1)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571160857 952728263 /nfs/dbraw/zinc/72/82/63/952728263.db2.gz NKRBMNSVNFZTDV-JHJVBQTASA-N -1 1 380.412 1.456 20 0 GDADMM Cc1cocc1C(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571161455 952733188 /nfs/dbraw/zinc/73/31/88/952733188.db2.gz WELDLBWXHFBDKL-GJZGRUSLSA-N -1 1 380.412 1.442 20 0 GDADMM Cc1cocc1C(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571161455 952733191 /nfs/dbraw/zinc/73/31/91/952733191.db2.gz WELDLBWXHFBDKL-GJZGRUSLSA-N -1 1 380.412 1.442 20 0 GDADMM O=C(N[C@@H]1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1O ZINC001571161433 952733282 /nfs/dbraw/zinc/73/32/82/952733282.db2.gz VNRXQWFMSJVGNO-NWDGAFQWSA-N -1 1 380.412 1.373 20 0 GDADMM O=C(N[C@@H]1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1O ZINC001571161433 952733286 /nfs/dbraw/zinc/73/32/86/952733286.db2.gz VNRXQWFMSJVGNO-NWDGAFQWSA-N -1 1 380.412 1.373 20 0 GDADMM O=C(COc1ccccc1)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571161647 952734212 /nfs/dbraw/zinc/73/42/12/952734212.db2.gz ZOMXYUYJWJWPHP-CYBMUJFWSA-N -1 1 380.412 1.139 20 0 GDADMM O=C(COc1ccccc1)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571161647 952734216 /nfs/dbraw/zinc/73/42/16/952734216.db2.gz ZOMXYUYJWJWPHP-CYBMUJFWSA-N -1 1 380.412 1.139 20 0 GDADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)N[C@@H](CO)c1cc(F)ccc1F ZINC001571171265 952791992 /nfs/dbraw/zinc/79/19/92/952791992.db2.gz QMIJSBUOEMERRZ-JTQLQIEISA-N -1 1 381.368 1.134 20 0 GDADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)N[C@@H](CO)c1cc(F)ccc1F ZINC001571171265 952791995 /nfs/dbraw/zinc/79/19/95/952791995.db2.gz QMIJSBUOEMERRZ-JTQLQIEISA-N -1 1 381.368 1.134 20 0 GDADMM C[C@H]1CN(C(=O)c2cnoc2C2CC2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571171600 952795016 /nfs/dbraw/zinc/79/50/16/952795016.db2.gz SYKJQEARQVHVSN-TVQRCGJNSA-N -1 1 381.400 1.095 20 0 GDADMM C[C@H]1CN(C(=O)c2cnoc2C2CC2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571171600 952795020 /nfs/dbraw/zinc/79/50/20/952795020.db2.gz SYKJQEARQVHVSN-TVQRCGJNSA-N -1 1 381.400 1.095 20 0 GDADMM C[C@@H]1C[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CN1C(=O)c1ccon1 ZINC001571172015 952800629 /nfs/dbraw/zinc/80/06/29/952800629.db2.gz KMCRTUPLTGFVFX-RQJHMYQMSA-N -1 1 380.821 1.680 20 0 GDADMM O=C([C@@H]1CC12CC2)N1CCC[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001571172131 952802991 /nfs/dbraw/zinc/80/29/91/952802991.db2.gz NKOQHRNSPTUIDI-SCLBCKFNSA-N -1 1 380.456 1.276 20 0 GDADMM O=C([C@@H]1CC12CC2)N1CCC[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001571172131 952802996 /nfs/dbraw/zinc/80/29/96/952802996.db2.gz NKOQHRNSPTUIDI-SCLBCKFNSA-N -1 1 380.456 1.276 20 0 GDADMM CC(C)c1[nH]ccc1C(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571179396 952853739 /nfs/dbraw/zinc/85/37/39/952853739.db2.gz DAMGFUJNFJKCON-GFCCVEGCSA-N -1 1 381.444 1.825 20 0 GDADMM CC(C)c1[nH]ccc1C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571179396 952853743 /nfs/dbraw/zinc/85/37/43/952853743.db2.gz DAMGFUJNFJKCON-GFCCVEGCSA-N -1 1 381.444 1.825 20 0 GDADMM C[C@@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCn1cccc1 ZINC001571184206 952889074 /nfs/dbraw/zinc/88/90/74/952889074.db2.gz SYRHOPMJRSPZRI-ZIAGYGMSSA-N -1 1 381.444 1.340 20 0 GDADMM C[C@@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCn1cccc1 ZINC001571184206 952889079 /nfs/dbraw/zinc/88/90/79/952889079.db2.gz SYRHOPMJRSPZRI-ZIAGYGMSSA-N -1 1 381.444 1.340 20 0 GDADMM Cc1[nH]ccc1C(=O)N[C@H]1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571185189 952900798 /nfs/dbraw/zinc/90/07/98/952900798.db2.gz JJHLUFAPQNEDHQ-JSGCOSHPSA-N -1 1 381.444 1.694 20 0 GDADMM Cc1[nH]ccc1C(=O)N[C@H]1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571185189 952900801 /nfs/dbraw/zinc/90/08/01/952900801.db2.gz JJHLUFAPQNEDHQ-JSGCOSHPSA-N -1 1 381.444 1.694 20 0 GDADMM Cc1[nH]ccc1C(=O)N1C[C@@H](C)[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571185524 952902370 /nfs/dbraw/zinc/90/23/70/952902370.db2.gz MRXFNZLLHLTRFE-MFKMUULPSA-N -1 1 381.444 1.422 20 0 GDADMM Cc1[nH]ccc1C(=O)N1C[C@@H](C)[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571185524 952902371 /nfs/dbraw/zinc/90/23/71/952902371.db2.gz MRXFNZLLHLTRFE-MFKMUULPSA-N -1 1 381.444 1.422 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](NC(=O)c3cccn3C)C[C@@H]2C)n1 ZINC001571185694 952903127 /nfs/dbraw/zinc/90/31/27/952903127.db2.gz OKILHWKBZZJOLI-QWHCGFSZSA-N -1 1 381.444 1.091 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)c3cccn3C)C[C@@H]2C)n1 ZINC001571185694 952903129 /nfs/dbraw/zinc/90/31/29/952903129.db2.gz OKILHWKBZZJOLI-QWHCGFSZSA-N -1 1 381.444 1.091 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CC[C@@H](C)[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571186569 952906376 /nfs/dbraw/zinc/90/63/76/952906376.db2.gz XIWAXXSCPAAUOY-DGCLKSJQSA-N -1 1 381.444 1.504 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CC[C@@H](C)[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571186569 952906382 /nfs/dbraw/zinc/90/63/82/952906382.db2.gz XIWAXXSCPAAUOY-DGCLKSJQSA-N -1 1 381.444 1.504 20 0 GDADMM CCn1cccc1C(=O)N1C[C@H](C)[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571186650 952907878 /nfs/dbraw/zinc/90/78/78/952907878.db2.gz ZIGFWWVRHXKABD-QWHCGFSZSA-N -1 1 381.444 1.298 20 0 GDADMM CCn1cccc1C(=O)N1C[C@H](C)[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571186650 952907881 /nfs/dbraw/zinc/90/78/81/952907881.db2.gz ZIGFWWVRHXKABD-QWHCGFSZSA-N -1 1 381.444 1.298 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H]([C@@H](C)Nc3nccnc3-c3nnn[n-]3)C2)c(C)[nH]1 ZINC001571188358 952913395 /nfs/dbraw/zinc/91/33/95/952913395.db2.gz JHQFIMCOCQJDTQ-YPMHNXCESA-N -1 1 381.444 1.564 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H]([C@@H](C)Nc3nccnc3-c3nn[n-]n3)C2)c(C)[nH]1 ZINC001571188358 952913397 /nfs/dbraw/zinc/91/33/97/952913397.db2.gz JHQFIMCOCQJDTQ-YPMHNXCESA-N -1 1 381.444 1.564 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)c(C)n1C ZINC001571189035 952924449 /nfs/dbraw/zinc/92/44/49/952924449.db2.gz QENPDQUZXIKRBB-CYBMUJFWSA-N -1 1 381.444 1.186 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)c(C)n1C ZINC001571189035 952924455 /nfs/dbraw/zinc/92/44/55/952924455.db2.gz QENPDQUZXIKRBB-CYBMUJFWSA-N -1 1 381.444 1.186 20 0 GDADMM Cc1cc(C)c(C(=O)N2CC[C@@H](CN(C)c3ccc(-c4nnn[n-]4)nn3)C2)[nH]1 ZINC001571189260 952926831 /nfs/dbraw/zinc/92/68/31/952926831.db2.gz UFEGTAPWWXUDMN-ZDUSSCGKSA-N -1 1 381.444 1.200 20 0 GDADMM Cc1cc(C)c(C(=O)N2CC[C@@H](CN(C)c3ccc(-c4nn[n-]n4)nn3)C2)[nH]1 ZINC001571189260 952926833 /nfs/dbraw/zinc/92/68/33/952926833.db2.gz UFEGTAPWWXUDMN-ZDUSSCGKSA-N -1 1 381.444 1.200 20 0 GDADMM Cn1ccc(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)CC2(C)C)c1 ZINC001571189854 952936196 /nfs/dbraw/zinc/93/61/96/952936196.db2.gz XPFMAARLHRWKGF-CQSZACIVSA-N -1 1 381.444 1.030 20 0 GDADMM Cn1ccc(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)CC2(C)C)c1 ZINC001571189854 952936200 /nfs/dbraw/zinc/93/62/00/952936200.db2.gz XPFMAARLHRWKGF-CQSZACIVSA-N -1 1 381.444 1.030 20 0 GDADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)Nc1cccnc1OCC(F)F ZINC001571194198 952959711 /nfs/dbraw/zinc/95/97/11/952959711.db2.gz IRFUSTUCBPROBS-UHFFFAOYSA-N -1 1 382.356 1.684 20 0 GDADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)Nc1cccnc1OCC(F)F ZINC001571194198 952959716 /nfs/dbraw/zinc/95/97/16/952959716.db2.gz IRFUSTUCBPROBS-UHFFFAOYSA-N -1 1 382.356 1.684 20 0 GDADMM Cc1ccc(F)c(C(=O)N2C[C@H](C)[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571195464 952976751 /nfs/dbraw/zinc/97/67/51/952976751.db2.gz AEXYELHIJMUPKA-XHDPSFHLSA-N -1 1 382.403 1.677 20 0 GDADMM Cc1ccc(F)c(C(=O)N2C[C@H](C)[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571195464 952976754 /nfs/dbraw/zinc/97/67/54/952976754.db2.gz AEXYELHIJMUPKA-XHDPSFHLSA-N -1 1 382.403 1.677 20 0 GDADMM Cc1ccc(C(=O)NC[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)cc1F ZINC001571196113 952979787 /nfs/dbraw/zinc/97/97/87/952979787.db2.gz HMVJQTNROHTWRG-AULYBMBSSA-N -1 1 382.403 1.725 20 0 GDADMM Cc1ccc(C(=O)NC[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)cc1F ZINC001571196113 952979791 /nfs/dbraw/zinc/97/97/91/952979791.db2.gz HMVJQTNROHTWRG-AULYBMBSSA-N -1 1 382.403 1.725 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@H](N(C)c3nccnc3-c3nnn[n-]3)C2)c1F ZINC001571196910 952984519 /nfs/dbraw/zinc/98/45/19/952984519.db2.gz PQVJYAWZVFVNMZ-LBPRGKRZSA-N -1 1 382.403 1.455 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@H](N(C)c3nccnc3-c3nn[n-]n3)C2)c1F ZINC001571196910 952984522 /nfs/dbraw/zinc/98/45/22/952984522.db2.gz PQVJYAWZVFVNMZ-LBPRGKRZSA-N -1 1 382.403 1.455 20 0 GDADMM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1NC(=O)[C@@H](F)c1ccccc1 ZINC001571197016 952985789 /nfs/dbraw/zinc/98/57/89/952985789.db2.gz RGMGOENUBVKVOB-XFJVYGCCSA-N -1 1 382.403 1.308 20 0 GDADMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1NC(=O)[C@@H](F)c1ccccc1 ZINC001571197016 952985795 /nfs/dbraw/zinc/98/57/95/952985795.db2.gz RGMGOENUBVKVOB-XFJVYGCCSA-N -1 1 382.403 1.308 20 0 GDADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)c2ccccc2F)C1 ZINC001571196936 952986330 /nfs/dbraw/zinc/98/63/30/952986330.db2.gz QEONBIWTSXVUKD-NEPJUHHUSA-N -1 1 382.403 1.759 20 0 GDADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)c2ccccc2F)C1 ZINC001571196936 952986335 /nfs/dbraw/zinc/98/63/35/952986335.db2.gz QEONBIWTSXVUKD-NEPJUHHUSA-N -1 1 382.403 1.759 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](CNC(=O)c3ccccc3F)C2)n1 ZINC001571197101 952986438 /nfs/dbraw/zinc/98/64/38/952986438.db2.gz RWPIPFSDGGNXLU-GFCCVEGCSA-N -1 1 382.403 1.361 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](CNC(=O)c3ccccc3F)C2)n1 ZINC001571197101 952986440 /nfs/dbraw/zinc/98/64/40/952986440.db2.gz RWPIPFSDGGNXLU-GFCCVEGCSA-N -1 1 382.403 1.361 20 0 GDADMM CCc1occc1C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)[C@H](C)C1 ZINC001571198980 952995571 /nfs/dbraw/zinc/99/55/71/952995571.db2.gz JJQRYQUIPZIXMB-YPMHNXCESA-N -1 1 382.428 1.775 20 0 GDADMM CCc1occc1C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)[C@H](C)C1 ZINC001571198980 952995576 /nfs/dbraw/zinc/99/55/76/952995576.db2.gz JJQRYQUIPZIXMB-YPMHNXCESA-N -1 1 382.428 1.775 20 0 GDADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1Cc2cnn(C)c2CC(C)(C)C1 ZINC001571198955 952995720 /nfs/dbraw/zinc/99/57/20/952995720.db2.gz IOVCOFUIQPCJBO-UHFFFAOYSA-N -1 1 382.428 1.234 20 0 GDADMM O=C(N[C@@H]1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)c1ccc(F)cc1 ZINC001571200696 953011009 /nfs/dbraw/zinc/01/10/09/953011009.db2.gz JPOWDUOZKBFEJP-SMDDNHRTSA-N -1 1 382.403 1.806 20 0 GDADMM O=C(N[C@@H]1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)c1ccc(F)cc1 ZINC001571200696 953011012 /nfs/dbraw/zinc/01/10/12/953011012.db2.gz JPOWDUOZKBFEJP-SMDDNHRTSA-N -1 1 382.403 1.806 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)[C@H](C)C2)o1 ZINC001571200869 953012994 /nfs/dbraw/zinc/01/29/94/953012994.db2.gz HCQSRCSBIJQKJN-RISCZKNCSA-N -1 1 382.428 1.450 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)[C@H](C)C2)o1 ZINC001571200869 953012999 /nfs/dbraw/zinc/01/29/99/953012999.db2.gz HCQSRCSBIJQKJN-RISCZKNCSA-N -1 1 382.428 1.450 20 0 GDADMM Cc1ccoc1C(=O)N1CCCC[C@@H]1[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571200886 953013324 /nfs/dbraw/zinc/01/33/24/953013324.db2.gz HNLVFHWTWPUEEU-CHWSQXEVSA-N -1 1 382.428 1.475 20 0 GDADMM Cc1coc(C(=O)N[C@H](C)[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571201380 953017329 /nfs/dbraw/zinc/01/73/29/953017329.db2.gz LPCAOIYSOCJMPB-CHWSQXEVSA-N -1 1 382.428 1.593 20 0 GDADMM Cc1coc(C(=O)N[C@H](C)[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571201380 953017331 /nfs/dbraw/zinc/01/73/31/953017331.db2.gz LPCAOIYSOCJMPB-CHWSQXEVSA-N -1 1 382.428 1.593 20 0 GDADMM O=C(NC[C@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1)c1cccc(F)c1 ZINC001571201552 953018613 /nfs/dbraw/zinc/01/86/13/953018613.db2.gz RKAZAGUOYFJZAZ-CQSZACIVSA-N -1 1 382.403 1.585 20 0 GDADMM O=C(NC[C@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001571201552 953018618 /nfs/dbraw/zinc/01/86/18/953018618.db2.gz RKAZAGUOYFJZAZ-CQSZACIVSA-N -1 1 382.403 1.585 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@H]2CC[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)o1 ZINC001571201725 953020159 /nfs/dbraw/zinc/02/01/59/953020159.db2.gz NMSUDIJMHJSJKB-STQMWFEESA-N -1 1 382.428 1.877 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@H]2CC[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)o1 ZINC001571201725 953020164 /nfs/dbraw/zinc/02/01/64/953020164.db2.gz NMSUDIJMHJSJKB-STQMWFEESA-N -1 1 382.428 1.877 20 0 GDADMM O=C(NC[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccc(CF)cc1 ZINC001571201928 953020611 /nfs/dbraw/zinc/02/06/11/953020611.db2.gz TXDNZISAGCSECD-MQMHXKEQSA-N -1 1 382.403 1.747 20 0 GDADMM O=C(NC[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccc(CF)cc1 ZINC001571201928 953020615 /nfs/dbraw/zinc/02/06/15/953020615.db2.gz TXDNZISAGCSECD-MQMHXKEQSA-N -1 1 382.403 1.747 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)Cc3ccoc3)C[C@H]2C)n1 ZINC001571202048 953022339 /nfs/dbraw/zinc/02/23/39/953022339.db2.gz QHFRGHXKIBJTOU-RISCZKNCSA-N -1 1 382.428 1.450 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)Cc3ccoc3)C[C@H]2C)n1 ZINC001571202048 953022346 /nfs/dbraw/zinc/02/23/46/953022346.db2.gz QHFRGHXKIBJTOU-RISCZKNCSA-N -1 1 382.428 1.450 20 0 GDADMM Cc1coc(C(=O)N2CCC[C@@H](C)[C@@H]2CNc2nccnc2-c2nn[n-]n2)c1 ZINC001571202753 953028940 /nfs/dbraw/zinc/02/89/40/953028940.db2.gz YDUOWGKYHNOXAH-OLZOCXBDSA-N -1 1 382.428 1.911 20 0 GDADMM Cc1coc(C(=O)N2CCC[C@@H](C)[C@@H]2CNc2nccnc2-c2nnn[n-]2)c1 ZINC001571202753 953028937 /nfs/dbraw/zinc/02/89/37/953028937.db2.gz YDUOWGKYHNOXAH-OLZOCXBDSA-N -1 1 382.428 1.911 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)[C@@H]2C)o1 ZINC001571202771 953029232 /nfs/dbraw/zinc/02/92/32/953029232.db2.gz YOBZBENPZBARKQ-CHWSQXEVSA-N -1 1 382.428 1.654 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)[C@@H]2C)o1 ZINC001571202771 953029236 /nfs/dbraw/zinc/02/92/36/953029236.db2.gz YOBZBENPZBARKQ-CHWSQXEVSA-N -1 1 382.428 1.654 20 0 GDADMM CC(C)n1cc(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@@H]2C)cn1 ZINC001571205164 953035671 /nfs/dbraw/zinc/03/56/71/953035671.db2.gz GUUZCDAWZDZVHQ-AAEUAGOBSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1cc(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@@H]2C)cn1 ZINC001571205164 953035677 /nfs/dbraw/zinc/03/56/77/953035677.db2.gz GUUZCDAWZDZVHQ-AAEUAGOBSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1cc(C(=O)N2CCC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001571205104 953036291 /nfs/dbraw/zinc/03/62/91/953036291.db2.gz GOLNTOYNQAJKJD-ZDUSSCGKSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1cc(C(=O)N2CCC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001571205104 953036296 /nfs/dbraw/zinc/03/62/96/953036296.db2.gz GOLNTOYNQAJKJD-ZDUSSCGKSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1ccc(C(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)[C@H]2C)n1 ZINC001571205898 953044182 /nfs/dbraw/zinc/04/41/82/953044182.db2.gz NUTYKVOKHPAREH-VXGBXAGGSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1ccc(C(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)[C@H]2C)n1 ZINC001571205898 953044184 /nfs/dbraw/zinc/04/41/84/953044184.db2.gz NUTYKVOKHPAREH-VXGBXAGGSA-N -1 1 382.432 1.149 20 0 GDADMM O=C(Cc1ccco1)N[C@@H]1CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571206432 953051298 /nfs/dbraw/zinc/05/12/98/953051298.db2.gz POEOUWBUKBPZBV-GXTWGEPZSA-N -1 1 382.428 1.579 20 0 GDADMM O=C(Cc1ccco1)N[C@@H]1CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571206432 953051301 /nfs/dbraw/zinc/05/13/01/953051301.db2.gz POEOUWBUKBPZBV-GXTWGEPZSA-N -1 1 382.428 1.579 20 0 GDADMM CC(C)n1ccc(C(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C[C@H]2C)n1 ZINC001571206793 953056221 /nfs/dbraw/zinc/05/62/21/953056221.db2.gz XJOXTFISJXYWGL-VXGBXAGGSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1ccc(C(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C[C@H]2C)n1 ZINC001571206793 953056226 /nfs/dbraw/zinc/05/62/26/953056226.db2.gz XJOXTFISJXYWGL-VXGBXAGGSA-N -1 1 382.432 1.149 20 0 GDADMM Cc1occc1C(=O)N1CCC(CCNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571206914 953057028 /nfs/dbraw/zinc/05/70/28/953057028.db2.gz SWLFIVYVZXQDIY-UHFFFAOYSA-N -1 1 382.428 1.334 20 0 GDADMM Cc1c[nH]nc1C(=O)N1CCCCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571207282 953061962 /nfs/dbraw/zinc/06/19/62/953061962.db2.gz PLXXSRYEZFJTBZ-GFCCVEGCSA-N -1 1 382.432 1.185 20 0 GDADMM Cc1c[nH]nc1C(=O)N1CCCCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571207282 953061964 /nfs/dbraw/zinc/06/19/64/953061964.db2.gz PLXXSRYEZFJTBZ-GFCCVEGCSA-N -1 1 382.432 1.185 20 0 GDADMM O=C(c1ccsc1)N1CC[C@@H]2[C@H](CCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571209638 953066432 /nfs/dbraw/zinc/06/64/32/953066432.db2.gz ADPCGVCCRRGNTG-BXUZGUMPSA-N -1 1 382.453 1.459 20 0 GDADMM O=C(c1ccsc1)N1CC[C@@H]2[C@H](CCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571209638 953066433 /nfs/dbraw/zinc/06/64/33/953066433.db2.gz ADPCGVCCRRGNTG-BXUZGUMPSA-N -1 1 382.453 1.459 20 0 GDADMM O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nnn[n-]3)cn1)C2)c1cccs1 ZINC001571210002 953069786 /nfs/dbraw/zinc/06/97/86/953069786.db2.gz LGRVNIHHPUOUKX-SRVKXCTJSA-N -1 1 382.453 1.506 20 0 GDADMM O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nn[n-]n3)cn1)C2)c1cccs1 ZINC001571210002 953069789 /nfs/dbraw/zinc/06/97/89/953069789.db2.gz LGRVNIHHPUOUKX-SRVKXCTJSA-N -1 1 382.453 1.506 20 0 GDADMM C[C@H]1CCCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571212089 953083426 /nfs/dbraw/zinc/08/34/26/953083426.db2.gz IPSOWEQBIXPXNB-AHDPXTMNSA-N -1 1 382.472 1.164 20 0 GDADMM C[C@@H]1CCCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571212090 953084121 /nfs/dbraw/zinc/08/41/21/953084121.db2.gz IPSOWEQBIXPXNB-MRLBHPIUSA-N -1 1 382.472 1.164 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](NC(=O)C3(C4CC4)CC3)C[C@H]2C)n1 ZINC001571212916 953091214 /nfs/dbraw/zinc/09/12/14/953091214.db2.gz OBAYRMQBFCXNCB-TZMCWYRMSA-N -1 1 382.472 1.629 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)C3(C4CC4)CC3)C[C@H]2C)n1 ZINC001571212916 953091217 /nfs/dbraw/zinc/09/12/17/953091217.db2.gz OBAYRMQBFCXNCB-TZMCWYRMSA-N -1 1 382.472 1.629 20 0 GDADMM C[C@@]1(CNc2ccc(-c3nnn[n-]3)nn2)CCN(C(=O)C(C2CC2)C2CC2)C1 ZINC001571213691 953097684 /nfs/dbraw/zinc/09/76/84/953097684.db2.gz UKUVWXJCWOEXFH-IBGZPJMESA-N -1 1 382.472 1.743 20 0 GDADMM C[C@@]1(CNc2ccc(-c3nn[n-]n3)nn2)CCN(C(=O)C(C2CC2)C2CC2)C1 ZINC001571213691 953097686 /nfs/dbraw/zinc/09/76/86/953097686.db2.gz UKUVWXJCWOEXFH-IBGZPJMESA-N -1 1 382.472 1.743 20 0 GDADMM CCc1nc(N[C@H]2C[C@@H](NC(=O)C34CCC(CC3)C4)C2)cc(-c2nnn[n-]2)n1 ZINC001571214024 953098496 /nfs/dbraw/zinc/09/84/96/953098496.db2.gz VHWHNVWGFWCHJT-ZCXICMAXSA-N -1 1 382.472 1.859 20 0 GDADMM CCc1nc(N[C@H]2C[C@@H](NC(=O)C34CCC(CC3)C4)C2)cc(-c2nn[n-]n2)n1 ZINC001571214024 953098501 /nfs/dbraw/zinc/09/85/01/953098501.db2.gz VHWHNVWGFWCHJT-ZCXICMAXSA-N -1 1 382.472 1.859 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCN(C(=O)[C@H]3CC34CCCC4)C2)n1 ZINC001571214086 953099553 /nfs/dbraw/zinc/09/95/53/953099553.db2.gz WLVJYILVSJIQJO-ZIAGYGMSSA-N -1 1 382.472 1.806 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCN(C(=O)[C@H]3CC34CCCC4)C2)n1 ZINC001571214086 953099555 /nfs/dbraw/zinc/09/95/55/953099555.db2.gz WLVJYILVSJIQJO-ZIAGYGMSSA-N -1 1 382.472 1.806 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@]3(CCN(C(=O)C4CCC4)C3)C2)n1 ZINC001571214077 953099949 /nfs/dbraw/zinc/09/99/49/953099949.db2.gz WGQLQYGWYPGJLA-LJQANCHMSA-N -1 1 382.472 1.448 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@]3(CCN(C(=O)C4CCC4)C3)C2)n1 ZINC001571214077 953099951 /nfs/dbraw/zinc/09/99/51/953099951.db2.gz WGQLQYGWYPGJLA-LJQANCHMSA-N -1 1 382.472 1.448 20 0 GDADMM O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CCCCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571217253 953105975 /nfs/dbraw/zinc/10/59/75/953105975.db2.gz DDDVKOGROJABMC-WVZRYYJFSA-N -1 1 382.472 1.886 20 0 GDADMM O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CCCCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571217253 953105984 /nfs/dbraw/zinc/10/59/84/953105984.db2.gz DDDVKOGROJABMC-WVZRYYJFSA-N -1 1 382.472 1.886 20 0 GDADMM O=C([C@@H]1C[C@@H]2CCCC[C@H]12)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571218109 953112738 /nfs/dbraw/zinc/11/27/38/953112738.db2.gz LZMNDKWZCUQWML-LJISPDSOSA-N -1 1 382.472 1.886 20 0 GDADMM O=C([C@@H]1C[C@@H]2CCCC[C@H]12)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571218109 953112741 /nfs/dbraw/zinc/11/27/41/953112741.db2.gz LZMNDKWZCUQWML-LJISPDSOSA-N -1 1 382.472 1.886 20 0 GDADMM O=C(N[C@@H]1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)C12CCC(CC1)C2 ZINC001571218763 953118706 /nfs/dbraw/zinc/11/87/06/953118706.db2.gz QMXDDUPFWSUTIA-IXVUQVCVSA-N -1 1 382.472 1.934 20 0 GDADMM O=C(N[C@@H]1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)C12CCC(CC1)C2 ZINC001571218763 953118707 /nfs/dbraw/zinc/11/87/07/953118707.db2.gz QMXDDUPFWSUTIA-IXVUQVCVSA-N -1 1 382.472 1.934 20 0 GDADMM O=C(N[C@@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C12CCC2)c1cc(F)c[nH]1 ZINC001571218841 953119526 /nfs/dbraw/zinc/11/95/26/953119526.db2.gz FHRJEIWAOBHKNB-VXGBXAGGSA-N -1 1 383.391 1.277 20 0 GDADMM O=C(N[C@@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C12CCC2)c1cc(F)c[nH]1 ZINC001571218841 953119532 /nfs/dbraw/zinc/11/95/32/953119532.db2.gz FHRJEIWAOBHKNB-VXGBXAGGSA-N -1 1 383.391 1.277 20 0 GDADMM O=C(c1cc(F)c[nH]1)N1CCC[C@H]2[C@@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001571218930 953120777 /nfs/dbraw/zinc/12/07/77/953120777.db2.gz HJSGQIXMGNDZEK-STQMWFEESA-N -1 1 383.391 1.007 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)C1[C@H]2CCCCCC[C@H]12 ZINC001571219344 953125154 /nfs/dbraw/zinc/12/51/54/953125154.db2.gz XRHFXYPRKZQYQL-XUXIUFHCSA-N -1 1 382.472 1.932 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)C1[C@H]2CCCCCC[C@H]12 ZINC001571219344 953125159 /nfs/dbraw/zinc/12/51/59/953125159.db2.gz XRHFXYPRKZQYQL-XUXIUFHCSA-N -1 1 382.472 1.932 20 0 GDADMM O=C(C1CCC1)N1CCC([C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571219395 953125799 /nfs/dbraw/zinc/12/57/99/953125799.db2.gz YWAMBYMFGMHUNA-HNNXBMFYSA-N -1 1 382.472 1.522 20 0 GDADMM O=C(NC[C@@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1)[C@@H]1CCCC12CC2 ZINC001571219418 953125866 /nfs/dbraw/zinc/12/58/66/953125866.db2.gz ZNFBHDBUIAPGNA-KBPBESRZSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(NC[C@@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1)[C@@H]1CCCC12CC2 ZINC001571219418 953125869 /nfs/dbraw/zinc/12/58/69/953125869.db2.gz ZNFBHDBUIAPGNA-KBPBESRZSA-N -1 1 382.472 1.712 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571222153 953131478 /nfs/dbraw/zinc/13/14/78/953131478.db2.gz DFDMPHSBJOLIBD-XYPYZODXSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571222153 953131482 /nfs/dbraw/zinc/13/14/82/953131482.db2.gz DFDMPHSBJOLIBD-XYPYZODXSA-N -1 1 383.416 1.389 20 0 GDADMM CCc1nc(NCC2CC(NC(=O)c3cc(C)no3)C2)cc(-c2nnn[n-]2)n1 ZINC001571222628 953136456 /nfs/dbraw/zinc/13/64/56/953136456.db2.gz ICJQJPMPLPTGDY-UHFFFAOYSA-N -1 1 383.416 1.136 20 0 GDADMM CCc1nc(NCC2CC(NC(=O)c3cc(C)no3)C2)cc(-c2nn[n-]n2)n1 ZINC001571222628 953136460 /nfs/dbraw/zinc/13/64/60/953136460.db2.gz ICJQJPMPLPTGDY-UHFFFAOYSA-N -1 1 383.416 1.136 20 0 GDADMM CCc1ncoc1C(=O)N1C[C@@H](CNc2cncc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001571223544 953145435 /nfs/dbraw/zinc/14/54/35/953145435.db2.gz UWQWDJFAMRVIMO-GHMZBOCLSA-N -1 1 383.416 1.027 20 0 GDADMM CCc1ncoc1C(=O)N1C[C@@H](CNc2cncc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001571223544 953145437 /nfs/dbraw/zinc/14/54/37/953145437.db2.gz UWQWDJFAMRVIMO-GHMZBOCLSA-N -1 1 383.416 1.027 20 0 GDADMM Cc1noc(C)c1C(=O)N[C@H]1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571225291 953152744 /nfs/dbraw/zinc/15/27/44/953152744.db2.gz JKDHXEINZKAPLE-NEPJUHHUSA-N -1 1 383.416 1.272 20 0 GDADMM Cc1noc(C)c1C(=O)N[C@H]1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571225291 953152746 /nfs/dbraw/zinc/15/27/46/953152746.db2.gz JKDHXEINZKAPLE-NEPJUHHUSA-N -1 1 383.416 1.272 20 0 GDADMM O=C(Cc1ccon1)N1CCCCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571228242 953163055 /nfs/dbraw/zinc/16/30/55/953163055.db2.gz LQBLRFJFSDBYCV-CYBMUJFWSA-N -1 1 383.416 1.071 20 0 GDADMM O=C(Cc1ccon1)N1CCCCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571228242 953163056 /nfs/dbraw/zinc/16/30/56/953163056.db2.gz LQBLRFJFSDBYCV-CYBMUJFWSA-N -1 1 383.416 1.071 20 0 GDADMM Cc1nsc(NC[C@H]2CCN(C(=O)C3CC(F)(F)C3)C2)c1-c1nn[n-]n1 ZINC001571229801 953172387 /nfs/dbraw/zinc/17/23/87/953172387.db2.gz OCKRPSPNHGSWJV-SECBINFHSA-N -1 1 383.428 1.937 20 0 GDADMM O=C(c1cnc(C2CC2)s1)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571231122 953183322 /nfs/dbraw/zinc/18/33/22/953183322.db2.gz SWNAYQIXCOJCJU-SNVBAGLBSA-N -1 1 383.441 1.317 20 0 GDADMM O=C(c1cnc(C2CC2)s1)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571231122 953183324 /nfs/dbraw/zinc/18/33/24/953183324.db2.gz SWNAYQIXCOJCJU-SNVBAGLBSA-N -1 1 383.441 1.317 20 0 GDADMM C[C@H]1C[C@@H](C(=O)N2CCN(c3snc(Cl)c3-c3nnn[n-]3)CC2)CO1 ZINC001571234656 953204619 /nfs/dbraw/zinc/20/46/19/953204619.db2.gz FHKGKHXUJQNHQU-DTWKUNHWSA-N -1 1 383.865 1.050 20 0 GDADMM C[C@H]1C[C@@H](C(=O)N2CCN(c3snc(Cl)c3-c3nn[n-]n3)CC2)CO1 ZINC001571234656 953204621 /nfs/dbraw/zinc/20/46/21/953204621.db2.gz FHKGKHXUJQNHQU-DTWKUNHWSA-N -1 1 383.865 1.050 20 0 GDADMM CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CCC(c2nn[n-]n2)CC1 ZINC001571236691 953219075 /nfs/dbraw/zinc/21/90/75/953219075.db2.gz BKRGXPLYGJDYJX-UHFFFAOYSA-N -1 1 384.404 1.190 20 0 GDADMM CSc1ccc(N2C[C@H](C(=O)Nc3c[nH]nc3-c3nn[n-]n3)CC2=O)cc1 ZINC001571242045 953252283 /nfs/dbraw/zinc/25/22/83/953252283.db2.gz UPDDOMCUVIIGFP-SECBINFHSA-N -1 1 384.425 1.303 20 0 GDADMM CCc1ccc(C(=O)N(C)C2CC(Nc3nccnc3-c3nnn[n-]3)C2)s1 ZINC001571244528 953263930 /nfs/dbraw/zinc/26/39/30/953263930.db2.gz AGLOTSRWKUYMML-UHFFFAOYSA-N -1 1 384.469 1.996 20 0 GDADMM CCc1ccc(C(=O)N(C)C2CC(Nc3nccnc3-c3nn[n-]n3)C2)s1 ZINC001571244528 953263931 /nfs/dbraw/zinc/26/39/31/953263931.db2.gz AGLOTSRWKUYMML-UHFFFAOYSA-N -1 1 384.469 1.996 20 0 GDADMM Cc1nsc(NC[C@@H]2CCN(C(=O)c3cnccc3C)C2)c1-c1nn[n-]n1 ZINC001571244599 953264758 /nfs/dbraw/zinc/26/47/58/953264758.db2.gz BWUIQSDVBXSSPL-LBPRGKRZSA-N -1 1 384.469 1.909 20 0 GDADMM Cc1ccc(C(=O)N2C[C@H](C)[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)s1 ZINC001571244839 953267312 /nfs/dbraw/zinc/26/73/12/953267312.db2.gz KCDPQCOPPRSTJT-JQWIXIFHSA-N -1 1 384.469 1.847 20 0 GDADMM Cc1ccc(C(=O)N2C[C@H](C)[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)s1 ZINC001571244839 953267318 /nfs/dbraw/zinc/26/73/18/953267318.db2.gz KCDPQCOPPRSTJT-JQWIXIFHSA-N -1 1 384.469 1.847 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cccs2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571244925 953268099 /nfs/dbraw/zinc/26/80/99/953268099.db2.gz AEHRFJRRPJIPPW-NEPJUHHUSA-N -1 1 384.469 1.493 20 0 GDADMM Cc1csc(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)CC2)c1 ZINC001571245172 953270874 /nfs/dbraw/zinc/27/08/74/953270874.db2.gz OWEMDXYKUZAVPF-LBPRGKRZSA-N -1 1 384.469 1.816 20 0 GDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)NC[C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC001571245654 953275030 /nfs/dbraw/zinc/27/50/30/953275030.db2.gz KDHSYNWSZPQXGT-KTXOBNNYSA-N -1 1 384.465 1.820 20 0 GDADMM CCc1ccsc1C(=O)NC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571245696 953276298 /nfs/dbraw/zinc/27/62/98/953276298.db2.gz YIKMIKRHQALCOH-LLVKDONJSA-N -1 1 384.469 1.537 20 0 GDADMM CCc1ccsc1C(=O)NC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571245696 953276304 /nfs/dbraw/zinc/27/63/04/953276304.db2.gz YIKMIKRHQALCOH-LLVKDONJSA-N -1 1 384.469 1.537 20 0 GDADMM CC(C)c1ccsc1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571245723 953276374 /nfs/dbraw/zinc/27/63/74/953276374.db2.gz LFXZZHXMEGCXTI-NSHDSACASA-N -1 1 384.469 1.850 20 0 GDADMM CC(C)c1ccsc1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571245723 953276377 /nfs/dbraw/zinc/27/63/77/953276377.db2.gz LFXZZHXMEGCXTI-NSHDSACASA-N -1 1 384.469 1.850 20 0 GDADMM CN(c1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)Cc2ccsc2)C1 ZINC001571245759 953276608 /nfs/dbraw/zinc/27/66/08/953276608.db2.gz YTRKQUCRHJNSTP-CYBMUJFWSA-N -1 1 384.469 1.388 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)Cc2cccs2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571246103 953280121 /nfs/dbraw/zinc/28/01/21/953280121.db2.gz SPISJBMOORBKBR-YPMHNXCESA-N -1 1 384.469 1.434 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)Cc2cccs2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571246103 953280124 /nfs/dbraw/zinc/28/01/24/953280124.db2.gz SPISJBMOORBKBR-YPMHNXCESA-N -1 1 384.469 1.434 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CC[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571249091 953300627 /nfs/dbraw/zinc/30/06/27/953300627.db2.gz DAKMHGOLDMRIBK-BFHYXJOUSA-N -1 1 384.488 1.411 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CCC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571249075 953300824 /nfs/dbraw/zinc/30/08/24/953300824.db2.gz CKIZCIMUSBBEOS-MGPQQGTHSA-N -1 1 384.488 1.411 20 0 GDADMM C[C@@H]1CCN(C(=O)C(C)(C)C2CC2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571249336 953303310 /nfs/dbraw/zinc/30/33/10/953303310.db2.gz HRBYNGDLKXFEFP-CHWSQXEVSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H]1CCN(C(=O)C(C)(C)C2CC2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571249336 953303314 /nfs/dbraw/zinc/30/33/14/953303314.db2.gz HRBYNGDLKXFEFP-CHWSQXEVSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1)C1CCCC1 ZINC001571249451 953305487 /nfs/dbraw/zinc/30/54/87/953305487.db2.gz JEHHTPYCKMZMNM-UMVBOHGHSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1)C1CCCC1 ZINC001571249451 953305492 /nfs/dbraw/zinc/30/54/92/953305492.db2.gz JEHHTPYCKMZMNM-UMVBOHGHSA-N -1 1 384.488 1.989 20 0 GDADMM CCC1(C(=O)N2CCC(CCN(C)c3ccnc(-c4nn[n-]n4)n3)CC2)CC1 ZINC001571249715 953307439 /nfs/dbraw/zinc/30/74/39/953307439.db2.gz KTMBFIIHDHTMAI-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@H]1CCCC[C@H]1C(=O)NC1(C)CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571249999 953308381 /nfs/dbraw/zinc/30/83/81/953308381.db2.gz NEFNNUKCIWDUJM-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCCC[C@H]1C(=O)NC1(C)CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571249999 953308385 /nfs/dbraw/zinc/30/83/85/953308385.db2.gz NEFNNUKCIWDUJM-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM CC(=O)N1CCC[C@H](C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C2CCCC2)C1 ZINC001571250231 953308899 /nfs/dbraw/zinc/30/88/99/953308899.db2.gz OSYVUBDIYWXLBM-ZBFHGGJFSA-N -1 1 384.488 1.698 20 0 GDADMM CCC(CC)C(=O)N1CCC[C@@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571250664 953312415 /nfs/dbraw/zinc/31/24/15/953312415.db2.gz RVKIRPGVZGCKPT-IBGZPJMESA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)CC(=O)N1CC2(C[C@@H]1C)CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571250815 953312970 /nfs/dbraw/zinc/31/29/70/953312970.db2.gz SWFRMKSDWRBPAJ-AWEZNQCLSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CC(=O)N1CC2(C[C@@H]1C)CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001571250815 953312974 /nfs/dbraw/zinc/31/29/74/953312974.db2.gz SWFRMKSDWRBPAJ-AWEZNQCLSA-N -1 1 384.488 1.910 20 0 GDADMM CC[C@H]1CC[C@H](C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571252047 953323572 /nfs/dbraw/zinc/32/35/72/953323572.db2.gz GFAARICAYFJZEZ-KKUMJFAQSA-N -1 1 384.488 1.958 20 0 GDADMM CN(C[C@@H]1CCCN(C(=O)[C@H]2CCC2(C)C)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571252494 953329499 /nfs/dbraw/zinc/32/94/99/953329499.db2.gz NUXWIKJDPSXMEO-UONOGXRCSA-N -1 1 384.488 1.768 20 0 GDADMM CN(C(=O)C1CCC(C)(C)CC1)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571252560 953330077 /nfs/dbraw/zinc/33/00/77/953330077.db2.gz QBDQTLNWUQZKQM-AWEZNQCLSA-N -1 1 384.488 1.910 20 0 GDADMM CN(C(=O)C1CCC(C)(C)CC1)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571252560 953330083 /nfs/dbraw/zinc/33/00/83/953330083.db2.gz QBDQTLNWUQZKQM-AWEZNQCLSA-N -1 1 384.488 1.910 20 0 GDADMM Cc1c(Cl)cccc1C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571256373 953369878 /nfs/dbraw/zinc/36/98/78/953369878.db2.gz WKQPYIIMYHRHDS-LLVKDONJSA-N -1 1 384.831 1.627 20 0 GDADMM Cc1c(Cl)cccc1C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571256373 953369888 /nfs/dbraw/zinc/36/98/88/953369888.db2.gz WKQPYIIMYHRHDS-LLVKDONJSA-N -1 1 384.831 1.627 20 0 GDADMM C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000568087592 953642129 /nfs/dbraw/zinc/64/21/29/953642129.db2.gz KUAZUGBUNOQBLW-XJKCOSOUSA-N -1 1 397.497 1.307 20 0 GDADMM C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000568087592 953642135 /nfs/dbraw/zinc/64/21/35/953642135.db2.gz KUAZUGBUNOQBLW-XJKCOSOUSA-N -1 1 397.497 1.307 20 0 GDADMM C[C@@H]1CCN(C(=O)NCCN2CCN(Cc3ccccc3)CC2)C[C@@H]1C(=O)[O-] ZINC000569239160 953648168 /nfs/dbraw/zinc/64/81/68/953648168.db2.gz XBEWCCWKVIIICR-MJGOQNOKSA-N -1 1 388.512 1.556 20 0 GDADMM Cc1cc(NC(=O)C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@H]2C)n(-c2nc(C)cc(C)n2)n1 ZINC000584172661 953733064 /nfs/dbraw/zinc/73/30/64/953733064.db2.gz ZQXSMAJHNQNLDX-CABCVRRESA-N -1 1 386.456 1.711 20 0 GDADMM Cc1cc(NC(=O)CN2C[C@@H](C(=O)[O-])CC[C@H]2C)n(-c2nc(C)cc(C)n2)n1 ZINC000584172661 953733070 /nfs/dbraw/zinc/73/30/70/953733070.db2.gz ZQXSMAJHNQNLDX-CABCVRRESA-N -1 1 386.456 1.711 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-])[N@H+]1[C@H](C)CC[C@@H]1C ZINC001589323521 953885599 /nfs/dbraw/zinc/88/55/99/953885599.db2.gz KXPPGHXKOHYHNI-FHUSYTEZSA-N -1 1 393.406 1.370 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-])[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001589323521 953885612 /nfs/dbraw/zinc/88/56/12/953885612.db2.gz KXPPGHXKOHYHNI-FHUSYTEZSA-N -1 1 393.406 1.370 20 0 GDADMM 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/nfs/dbraw/zinc/37/57/95/955375795.db2.gz CJXYNVZGHMWTHR-RYUDHWBXSA-N -1 1 375.450 1.787 20 0 GDADMM CCO[C@H](C)c1noc(CN2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])n1 ZINC000852734382 955841024 /nfs/dbraw/zinc/84/10/24/955841024.db2.gz AMBOCZOEXZRQNH-YWVKMMECSA-N -1 1 394.350 1.263 20 0 GDADMM CCOC(=O)N1CCN(C(=O)[C@H](C)N2Cc3ccccc3[C@H](C(=O)[O-])C2)CC1 ZINC000852736468 955846479 /nfs/dbraw/zinc/84/64/79/955846479.db2.gz YDFFRXXMCIXPSJ-WMLDXEAASA-N -1 1 389.452 1.360 20 0 GDADMM Cc1cc(F)ncc1C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000868440127 956014412 /nfs/dbraw/zinc/01/44/12/956014412.db2.gz CJBSXXFWEDFIMB-ONGXEEELSA-N -1 1 377.294 1.265 20 0 GDADMM Cc1cc(F)ncc1C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000868440126 956014459 /nfs/dbraw/zinc/01/44/59/956014459.db2.gz CJBSXXFWEDFIMB-MWLCHTKSSA-N -1 1 377.294 1.265 20 0 GDADMM C[C@H](NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000874388976 956136499 /nfs/dbraw/zinc/13/64/99/956136499.db2.gz JPXOPWAFSHGCHW-YDHLFZDLSA-N -1 1 378.448 1.801 20 0 GDADMM C[C@H]1CN(C(=O)CCn2c(=O)c3ccccc3[nH]c2=S)CC[C@H]1C(=O)[O-] ZINC000902165317 956670543 /nfs/dbraw/zinc/67/05/43/956670543.db2.gz OFEDGJLSDBXULR-NWDGAFQWSA-N -1 1 375.450 1.645 20 0 GDADMM COC[C@]1(C(=O)[O-])CN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)CCO1 ZINC001593978626 956688934 /nfs/dbraw/zinc/68/89/34/956688934.db2.gz VLDNUXRXJFIIEI-KRWDZBQOSA-N -1 1 379.800 1.672 20 0 GDADMM CCN(C)[C@@H](C(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1)c1ccccc1 ZINC000902745938 956792268 /nfs/dbraw/zinc/79/22/68/956792268.db2.gz BPVJUNFGEUDLJS-CXIVCQEWSA-N -1 1 388.464 1.792 20 0 GDADMM O=C([O-])[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc3[nH]nnc3c2)C1=O ZINC001594734596 957058068 /nfs/dbraw/zinc/05/80/68/957058068.db2.gz DNNSUWOBIKNMRF-GOEBONIOSA-N -1 1 379.376 1.115 20 0 GDADMM COC[C@]1(C(=O)[O-])CCN(C(=O)NCc2ccccc2N2CCN(C)CC2)C1 ZINC001119100480 957184820 /nfs/dbraw/zinc/18/48/20/957184820.db2.gz MAIPJEIBCLWKST-FQEVSTJZSA-N -1 1 390.484 1.071 20 0 GDADMM O=C([O-])Cn1cc(C(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)nn1 ZINC001574738895 957683229 /nfs/dbraw/zinc/68/32/29/957683229.db2.gz ZBKOZEKXZKWIAW-CYBMUJFWSA-N -1 1 397.357 1.386 20 0 GDADMM CC(=O)NCCN(Cc1nc2ccc(Br)cc2[nH]1)[C@@H](C)C(=O)[O-] ZINC001588514957 958787630 /nfs/dbraw/zinc/78/76/30/958787630.db2.gz PEXZNNXMHKSKSQ-VIFPVBQESA-N -1 1 383.246 1.737 20 0 GDADMM CC(C)CNC(=O)CCC[N@H+]1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001573522522 959126551 /nfs/dbraw/zinc/12/65/51/959126551.db2.gz KIIMSCIDRGVDPV-WCQYABFASA-N -1 1 381.395 1.135 20 0 GDADMM O=C([O-])[C@@H]1CC[C@H](NC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)C1 ZINC001605752652 972414594 /nfs/dbraw/zinc/41/45/94/972414594.db2.gz MUCACBGGUOYHSJ-OWSLCNJRSA-N -1 1 375.469 1.422 20 0 GDADMM C[C@H](CNC(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)[O-] ZINC001573591058 959392995 /nfs/dbraw/zinc/39/29/95/959392995.db2.gz BJLGEZPLANFLAD-ZBFHGGJFSA-N -1 1 393.484 1.849 20 0 GDADMM C[C@@H](CNC(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)[O-] ZINC001573591056 959393795 /nfs/dbraw/zinc/39/37/95/959393795.db2.gz BJLGEZPLANFLAD-GOEBONIOSA-N -1 1 393.484 1.849 20 0 GDADMM CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC001604083075 972475598 /nfs/dbraw/zinc/47/55/98/972475598.db2.gz AFZQYQYJBXSCQS-ZDUSSCGKSA-N -1 1 386.470 1.652 20 0 GDADMM COc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260399781 960723775 /nfs/dbraw/zinc/72/37/75/960723775.db2.gz DMEJBBMZGSMJER-UHFFFAOYSA-N -1 1 394.405 1.602 20 0 GDADMM C[C@H]1CN(C(=O)NCc2cccnc2N2CCN(C)CC2)CC[C@H]1C(=O)[O-] ZINC001329040999 961237989 /nfs/dbraw/zinc/23/79/89/961237989.db2.gz HQPURYLFEBYFNN-GOEBONIOSA-N -1 1 375.473 1.086 20 0 GDADMM CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1 ZINC001329214810 961248714 /nfs/dbraw/zinc/24/87/14/961248714.db2.gz KZOYKFRECDWVMP-HNNXBMFYSA-N -1 1 396.509 1.419 20 0 GDADMM CN(C1CCN(Cc2ccnc3c(C(=O)[O-])cccc23)CC1)S(C)(=O)=O 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532287318 /nfs/dbraw/zinc/28/73/18/532287318.db2.gz FBUQAMSCUSMYGO-CYBMUJFWSA-N -1 1 379.479 1.413 20 0 GDADMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000275627022 532303269 /nfs/dbraw/zinc/30/32/69/532303269.db2.gz HXSVKDAVRLDJRF-UHFFFAOYSA-N -1 1 394.425 1.707 20 0 GDADMM CS(=O)(=O)N1CCC[C@@H](NC(=O)c2ccc(Br)c([O-])c2)C1 ZINC000400230940 532303770 /nfs/dbraw/zinc/30/37/70/532303770.db2.gz RSPQPMSZNPLOMH-SNVBAGLBSA-N -1 1 377.260 1.309 20 0 GDADMM C[C@H](C[S@@](C)=O)N(C)C(=O)c1ccc(I)c([O-])c1 ZINC000399957537 532304130 /nfs/dbraw/zinc/30/41/30/532304130.db2.gz WOLBLXNUDXSNHV-NTCNTBNZSA-N -1 1 381.235 1.836 20 0 GDADMM CCO[C@H]1C[C@]([N-]S(=O)(=O)c2cc(F)ccc2F)(C(=O)OC)C1(C)C ZINC000275834833 532311648 /nfs/dbraw/zinc/31/16/48/532311648.db2.gz BOHUWNBFYTUGDH-BBRMVZONSA-N -1 1 377.409 1.990 20 0 GDADMM COCc1nc(Cc2noc(C[N-]S(=O)(=O)c3cccs3)n2)cs1 ZINC000289231194 532318941 /nfs/dbraw/zinc/31/89/41/532318941.db2.gz YOPVFJVGOZDSNC-UHFFFAOYSA-N -1 1 386.480 1.803 20 0 GDADMM CN1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1=O ZINC000276165013 532321354 /nfs/dbraw/zinc/32/13/54/532321354.db2.gz BSUPTOIQMHFLLZ-SECBINFHSA-N -1 1 385.642 1.751 20 0 GDADMM O=C(CN1CCC[C@H](c2nc(=O)[n-][nH]2)C1)Nc1ccccc1Br ZINC000289383650 532322728 /nfs/dbraw/zinc/32/27/28/532322728.db2.gz JJOSZFNIQUCSLU-JTQLQIEISA-N -1 1 380.246 1.679 20 0 GDADMM CCN(C(=O)[C@H](C)Sc1nc(C2CC2)cc(=O)[n-]1)[C@H]1CCS(=O)(=O)C1 ZINC000276333621 532327535 /nfs/dbraw/zinc/32/75/35/532327535.db2.gz LJKUWZQGJQXYQX-JQWIXIFHSA-N -1 1 385.511 1.576 20 0 GDADMM O=C(CSc1[nH]c(=O)cc(C(F)(F)F)c1-c1nn[n-]n1)OCCCCO ZINC000737941910 598843100 /nfs/dbraw/zinc/84/31/00/598843100.db2.gz GDURKNUCLKKWLU-UHFFFAOYSA-N -1 1 393.347 1.394 20 0 GDADMM Cc1oc(NC(=O)COC(=O)COc2ccc(O)cc2)c(-c2nn[n-]n2)c1C ZINC000737552841 598878582 /nfs/dbraw/zinc/87/85/82/598878582.db2.gz RKRZWLLSCBEQEN-UHFFFAOYSA-N -1 1 387.352 1.343 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000737486972 598953288 /nfs/dbraw/zinc/95/32/88/598953288.db2.gz HDWASJYZKYVMEZ-BBRMVZONSA-N -1 1 398.471 1.126 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000737486972 598953289 /nfs/dbraw/zinc/95/32/89/598953289.db2.gz HDWASJYZKYVMEZ-BBRMVZONSA-N -1 1 398.471 1.126 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2C[C@@H]2c2c(F)cccc2Cl)n(C)c1=O ZINC000737596459 598972382 /nfs/dbraw/zinc/97/23/82/598972382.db2.gz NTSHPYGJRALTGU-OIBJUYFYSA-N -1 1 391.794 1.025 20 0 GDADMM CN(Cc1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000736819055 598974017 /nfs/dbraw/zinc/97/40/17/598974017.db2.gz GMRXZNNUMQJUPU-UHFFFAOYSA-N -1 1 378.845 1.955 20 0 GDADMM CN(Cc1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000736819055 598974019 /nfs/dbraw/zinc/97/40/19/598974019.db2.gz GMRXZNNUMQJUPU-UHFFFAOYSA-N -1 1 378.845 1.955 20 0 GDADMM C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736198451 598984692 /nfs/dbraw/zinc/98/46/92/598984692.db2.gz IUHPGHUTCMYEBA-GFCCVEGCSA-N -1 1 375.396 1.676 20 0 GDADMM C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736198451 598984694 /nfs/dbraw/zinc/98/46/94/598984694.db2.gz IUHPGHUTCMYEBA-GFCCVEGCSA-N -1 1 375.396 1.676 20 0 GDADMM CCOCCCNC(=O)c1cccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736614021 598994057 /nfs/dbraw/zinc/99/40/57/598994057.db2.gz DJFCIBYPCVKLFY-UHFFFAOYSA-N -1 1 395.423 1.670 20 0 GDADMM CCOCCCNC(=O)c1cccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736614021 598994058 /nfs/dbraw/zinc/99/40/58/598994058.db2.gz DJFCIBYPCVKLFY-UHFFFAOYSA-N -1 1 395.423 1.670 20 0 GDADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc(N2CCOC2=O)c1 ZINC000736119561 598998352 /nfs/dbraw/zinc/99/83/52/598998352.db2.gz PALXSOYGOUWMQS-NSHDSACASA-N -1 1 379.380 1.709 20 0 GDADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc(N2CCOC2=O)c1 ZINC000736119561 598998354 /nfs/dbraw/zinc/99/83/54/598998354.db2.gz PALXSOYGOUWMQS-NSHDSACASA-N -1 1 379.380 1.709 20 0 GDADMM O=C(NC[C@H](c1cccc(F)c1)N1CCOCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738037348 598998962 /nfs/dbraw/zinc/99/89/62/598998962.db2.gz GJLOTBACXIDSGF-QGZVFWFLSA-N -1 1 397.414 1.204 20 0 GDADMM O=C(NC[C@H](c1cccc(F)c1)N1CCOCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738037348 598998964 /nfs/dbraw/zinc/99/89/64/598998964.db2.gz GJLOTBACXIDSGF-QGZVFWFLSA-N -1 1 397.414 1.204 20 0 GDADMM NC(=O)C1CCN(c2ccccc2NC(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000737747776 599000108 /nfs/dbraw/zinc/00/01/08/599000108.db2.gz XIUGXAKGGLLOQI-UHFFFAOYSA-N -1 1 392.423 1.216 20 0 GDADMM NC(=O)C1CCN(c2ccccc2NC(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000737747776 599000110 /nfs/dbraw/zinc/00/01/10/599000110.db2.gz XIUGXAKGGLLOQI-UHFFFAOYSA-N -1 1 392.423 1.216 20 0 GDADMM COc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1Br ZINC000737092436 599001891 /nfs/dbraw/zinc/00/18/91/599001891.db2.gz LKKWNMLJMSUYJH-UHFFFAOYSA-N -1 1 389.213 1.963 20 0 GDADMM COc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1Br ZINC000737092436 599001893 /nfs/dbraw/zinc/00/18/93/599001893.db2.gz LKKWNMLJMSUYJH-UHFFFAOYSA-N -1 1 389.213 1.963 20 0 GDADMM COCc1csc(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)n1 ZINC000737021781 599017615 /nfs/dbraw/zinc/01/76/15/599017615.db2.gz BLWOLOCMNXCNKP-UHFFFAOYSA-N -1 1 389.441 1.758 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCCN(C(=O)c2ccccc2F)CC1 ZINC000738259633 599021833 /nfs/dbraw/zinc/02/18/33/599021833.db2.gz TUGOAIDGDBYSOM-UHFFFAOYSA-N -1 1 395.398 1.389 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCCN(C(=O)c2ccccc2F)CC1 ZINC000738259633 599021835 /nfs/dbraw/zinc/02/18/35/599021835.db2.gz TUGOAIDGDBYSOM-UHFFFAOYSA-N -1 1 395.398 1.389 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)C1 ZINC000736268471 599022203 /nfs/dbraw/zinc/02/22/03/599022203.db2.gz XKHACZKESRZDJJ-CYBMUJFWSA-N -1 1 383.456 1.372 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)C1 ZINC000736268471 599022204 /nfs/dbraw/zinc/02/22/04/599022204.db2.gz XKHACZKESRZDJJ-CYBMUJFWSA-N -1 1 383.456 1.372 20 0 GDADMM CCOC(=O)c1cnc(N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)s1 ZINC000821342292 599087425 /nfs/dbraw/zinc/08/74/25/599087425.db2.gz AQPQOROPWQWHFO-UHFFFAOYSA-N -1 1 386.441 1.222 20 0 GDADMM CCOC(=O)c1cnc(N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)s1 ZINC000821342292 599087428 /nfs/dbraw/zinc/08/74/28/599087428.db2.gz AQPQOROPWQWHFO-UHFFFAOYSA-N -1 1 386.441 1.222 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC[C@@H]1CCC[C@@H](O)C1 ZINC000737487439 599100989 /nfs/dbraw/zinc/10/09/89/599100989.db2.gz IWJHBJBGBYJLPS-ZIAGYGMSSA-N -1 1 398.471 1.126 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC[C@@H]1CCC[C@@H](O)C1 ZINC000737487439 599100991 /nfs/dbraw/zinc/10/09/91/599100991.db2.gz IWJHBJBGBYJLPS-ZIAGYGMSSA-N -1 1 398.471 1.126 20 0 GDADMM CCCCN1C(=O)C2(CCCCC2)N[C@@H]1c1cnc2c(-c3nnn[n-]3)cnn2c1 ZINC000821066354 599119166 /nfs/dbraw/zinc/11/91/66/599119166.db2.gz UDEYTEHTTUUDBP-INIZCTEOSA-N -1 1 395.471 1.843 20 0 GDADMM CCCCN1C(=O)C2(CCCCC2)N[C@@H]1c1cnc2c(-c3nn[n-]n3)cnn2c1 ZINC000821066354 599119168 /nfs/dbraw/zinc/11/91/68/599119168.db2.gz UDEYTEHTTUUDBP-INIZCTEOSA-N -1 1 395.471 1.843 20 0 GDADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(Cc2ncc(-c3ccc(C)cc3)o2)c1 ZINC000821667045 599125163 /nfs/dbraw/zinc/12/51/63/599125163.db2.gz RKHKAGQALZPJSB-UHFFFAOYSA-N -1 1 392.375 1.827 20 0 GDADMM CCCCOC(=O)[C@@H](C)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000736461068 599130236 /nfs/dbraw/zinc/13/02/36/599130236.db2.gz NUYHOGZGNZDFLO-GFCCVEGCSA-N -1 1 389.460 1.586 20 0 GDADMM CC(=O)N(c1nc(COC(=O)c2ccc(-c3nnn[n-]3)nc2)cs1)C1CC1 ZINC000735460836 599130798 /nfs/dbraw/zinc/13/07/98/599130798.db2.gz MVWNSBIAWZXTPK-UHFFFAOYSA-N -1 1 385.409 1.591 20 0 GDADMM CC(=O)N(c1nc(COC(=O)c2ccc(-c3nn[n-]n3)nc2)cs1)C1CC1 ZINC000735460836 599130800 /nfs/dbraw/zinc/13/08/00/599130800.db2.gz MVWNSBIAWZXTPK-UHFFFAOYSA-N -1 1 385.409 1.591 20 0 GDADMM COc1cc(NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)cc(OC)c1 ZINC000737053200 599132160 /nfs/dbraw/zinc/13/21/60/599132160.db2.gz FCKBPFGOKLPPKC-UHFFFAOYSA-N -1 1 384.352 1.074 20 0 GDADMM COc1cc(NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)cc(OC)c1 ZINC000737053200 599132162 /nfs/dbraw/zinc/13/21/62/599132162.db2.gz FCKBPFGOKLPPKC-UHFFFAOYSA-N -1 1 384.352 1.074 20 0 GDADMM CC(C)[C@@H](NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000735723418 599134259 /nfs/dbraw/zinc/13/42/59/599134259.db2.gz YBOMSENZVDPTGV-QGZVFWFLSA-N -1 1 380.408 1.932 20 0 GDADMM CC(C)[C@@H](NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000735723418 599134260 /nfs/dbraw/zinc/13/42/60/599134260.db2.gz YBOMSENZVDPTGV-QGZVFWFLSA-N -1 1 380.408 1.932 20 0 GDADMM COC[C@H](C)n1c(C)cc(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)c1C ZINC000736967642 599134785 /nfs/dbraw/zinc/13/47/85/599134785.db2.gz BSVBTYMLBDCTAO-LBPRGKRZSA-N -1 1 398.423 1.927 20 0 GDADMM COC[C@H](C)n1c(C)cc(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)c1C ZINC000736967642 599134788 /nfs/dbraw/zinc/13/47/88/599134788.db2.gz BSVBTYMLBDCTAO-LBPRGKRZSA-N -1 1 398.423 1.927 20 0 GDADMM C[C@H](C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1)C(F)(F)F ZINC000819856687 599141046 /nfs/dbraw/zinc/14/10/46/599141046.db2.gz KNXGTACYBDIOTJ-MRVPVSSYSA-N -1 1 385.350 1.579 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@@H](C)C(=O)OC(C)C ZINC000822535466 599196439 /nfs/dbraw/zinc/19/64/39/599196439.db2.gz SFFXAENEKUTKCJ-LLVKDONJSA-N -1 1 386.412 1.876 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@@H](C)C(=O)OC(C)C ZINC000822535466 599196442 /nfs/dbraw/zinc/19/64/42/599196442.db2.gz SFFXAENEKUTKCJ-LLVKDONJSA-N -1 1 386.412 1.876 20 0 GDADMM C[C@H](O)C[C@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000820475315 607259609 /nfs/dbraw/zinc/25/96/09/607259609.db2.gz ZYHCZWMOCBLJSQ-GXTWGEPZSA-N -1 1 388.453 1.095 20 0 GDADMM C[C@H](O)C[C@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000820475315 607259610 /nfs/dbraw/zinc/25/96/10/607259610.db2.gz ZYHCZWMOCBLJSQ-GXTWGEPZSA-N -1 1 388.453 1.095 20 0 GDADMM COC(C)(C)C[C@@H](C)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000736958986 599212442 /nfs/dbraw/zinc/21/24/42/599212442.db2.gz ZIPGIHWUSGZEOT-SNVBAGLBSA-N -1 1 376.461 1.837 20 0 GDADMM COC(=O)CCCn1cc(-c2nn[n-]n2)c(=O)c2cc(Br)ccc21 ZINC000736913515 599222649 /nfs/dbraw/zinc/22/26/49/599222649.db2.gz RNSHEQHEQCXKNK-UHFFFAOYSA-N -1 1 392.213 1.897 20 0 GDADMM Cc1ccc(-c2nn[nH]n2)cc1[N-]S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000737297294 599236585 /nfs/dbraw/zinc/23/65/85/599236585.db2.gz UMAGXGMPDSTVKY-UHFFFAOYSA-N -1 1 397.424 1.166 20 0 GDADMM COc1cccc(NC(=O)CN(C)C(=O)CN2CCC[C@H](CC(=O)[O-])C2)c1 ZINC000532881335 597077444 /nfs/dbraw/zinc/07/74/44/597077444.db2.gz ODVOEBKSRUDLAM-CQSZACIVSA-N -1 1 377.441 1.279 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1nc(C(F)(F)F)cs1 ZINC000820803697 607304492 /nfs/dbraw/zinc/30/44/92/607304492.db2.gz FKVJQTICYQPPDB-QMMMGPOBSA-N -1 1 397.390 1.847 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1nc(C(F)(F)F)cs1 ZINC000820803697 607304493 /nfs/dbraw/zinc/30/44/93/607304493.db2.gz FKVJQTICYQPPDB-QMMMGPOBSA-N -1 1 397.390 1.847 20 0 GDADMM CC(=O)NCCN(Cc1cnc2ccc(Br)cn12)[C@@H](C)C(=O)[O-] ZINC000819781294 597704787 /nfs/dbraw/zinc/70/47/87/597704787.db2.gz TVHGTLCBQCBGIM-JTQLQIEISA-N -1 1 383.246 1.508 20 0 GDADMM Cn1ccc2ccc(NC(=O)NCCCc3[nH]nc(N)c3-c3nnn[n-]3)cc21 ZINC000822689141 599287136 /nfs/dbraw/zinc/28/71/36/599287136.db2.gz FLTUBCGYRSLSSM-UHFFFAOYSA-N -1 1 380.416 1.418 20 0 GDADMM Cn1ccc2ccc(NC(=O)NCCCc3[nH]nc(N)c3-c3nn[n-]n3)cc21 ZINC000822689141 599287138 /nfs/dbraw/zinc/28/71/38/599287138.db2.gz FLTUBCGYRSLSSM-UHFFFAOYSA-N -1 1 380.416 1.418 20 0 GDADMM O=S(=O)(Oc1cccc(Br)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738339443 598259855 /nfs/dbraw/zinc/25/98/55/598259855.db2.gz NEZOGKBOJYKPFK-UHFFFAOYSA-N -1 1 382.199 1.792 20 0 GDADMM O=S(=O)(Oc1cccc(Br)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738339443 598259856 /nfs/dbraw/zinc/25/98/56/598259856.db2.gz NEZOGKBOJYKPFK-UHFFFAOYSA-N -1 1 382.199 1.792 20 0 GDADMM COc1ccc([C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1OC ZINC000737073305 598265507 /nfs/dbraw/zinc/26/55/07/598265507.db2.gz BEHLZQZHPJCFPX-SNVBAGLBSA-N -1 1 390.425 1.318 20 0 GDADMM COc1ccc([C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1OC ZINC000737073305 598265508 /nfs/dbraw/zinc/26/55/08/598265508.db2.gz BEHLZQZHPJCFPX-SNVBAGLBSA-N -1 1 390.425 1.318 20 0 GDADMM CCCOCc1ccccc1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736487339 598266661 /nfs/dbraw/zinc/26/66/61/598266661.db2.gz FTRQGIFELLKFRT-UHFFFAOYSA-N -1 1 388.453 1.667 20 0 GDADMM CCCOCc1ccccc1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736487339 598266663 /nfs/dbraw/zinc/26/66/63/598266663.db2.gz FTRQGIFELLKFRT-UHFFFAOYSA-N -1 1 388.453 1.667 20 0 GDADMM O=S(=O)(NCC1(c2ccc(F)cc2)CCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738342891 598272353 /nfs/dbraw/zinc/27/23/53/598272353.db2.gz MJEPJHFLQAAASY-UHFFFAOYSA-N -1 1 388.428 1.801 20 0 GDADMM O=S(=O)(NCC1(c2ccc(F)cc2)CCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738342891 598272355 /nfs/dbraw/zinc/27/23/55/598272355.db2.gz MJEPJHFLQAAASY-UHFFFAOYSA-N -1 1 388.428 1.801 20 0 GDADMM COc1c(C)cc(CN(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1C ZINC000737023298 598273557 /nfs/dbraw/zinc/27/35/57/598273557.db2.gz JNACPSFPCPIFOF-UHFFFAOYSA-N -1 1 388.453 1.708 20 0 GDADMM COc1c(C)cc(CN(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1C ZINC000737023298 598273559 /nfs/dbraw/zinc/27/35/59/598273559.db2.gz JNACPSFPCPIFOF-UHFFFAOYSA-N -1 1 388.453 1.708 20 0 GDADMM O=C(N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1)C(F)(F)F ZINC000737996764 598286284 /nfs/dbraw/zinc/28/62/84/598286284.db2.gz QGMODTXUPKCBQY-UHFFFAOYSA-N -1 1 383.290 1.326 20 0 GDADMM CCn1cc(NC(=S)NNc2oc(CC(C)C)nc2-c2nn[n-]n2)cn1 ZINC000736723359 598295710 /nfs/dbraw/zinc/29/57/10/598295710.db2.gz SMHJVNNHAGXPLT-UHFFFAOYSA-N -1 1 376.450 1.583 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)NCC(=O)OCC2CC2)c1-c1nn[n-]n1 ZINC000737189549 598297045 /nfs/dbraw/zinc/29/70/45/598297045.db2.gz OCCGADNUSZCZSB-UHFFFAOYSA-N -1 1 388.453 1.544 20 0 GDADMM Cc1nccn1-c1ccc([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)cn1 ZINC000737503687 598333548 /nfs/dbraw/zinc/33/35/48/598333548.db2.gz XKKKRBGNRSNUBY-UHFFFAOYSA-N -1 1 382.409 1.557 20 0 GDADMM O[C@H](CNc1nccnc1-c1nnn[n-]1)COc1cccc(C(F)(F)F)c1 ZINC000738388345 598349234 /nfs/dbraw/zinc/34/92/34/598349234.db2.gz SHJNMYAQOOKMJL-SNVBAGLBSA-N -1 1 381.318 1.527 20 0 GDADMM O[C@H](CNc1nccnc1-c1nn[n-]n1)COc1cccc(C(F)(F)F)c1 ZINC000738388345 598349236 /nfs/dbraw/zinc/34/92/36/598349236.db2.gz SHJNMYAQOOKMJL-SNVBAGLBSA-N -1 1 381.318 1.527 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000738353705 598370655 /nfs/dbraw/zinc/37/06/55/598370655.db2.gz FSKNEFOORVQUCV-HNNXBMFYSA-N -1 1 384.465 1.905 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000738353705 598370657 /nfs/dbraw/zinc/37/06/57/598370657.db2.gz FSKNEFOORVQUCV-HNNXBMFYSA-N -1 1 384.465 1.905 20 0 GDADMM CCc1nn(CC(=O)c2ccc(OC)cc2OC)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705297 598377631 /nfs/dbraw/zinc/37/76/31/598377631.db2.gz FINSOCOZQGSLFO-UHFFFAOYSA-N -1 1 398.423 1.448 20 0 GDADMM CCc1nn(CC(=O)N[C@@H](C)c2ccc(F)cc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706121 598377928 /nfs/dbraw/zinc/37/79/28/598377928.db2.gz UEDBUFPYXGLRSK-NSHDSACASA-N -1 1 399.430 1.565 20 0 GDADMM NC(=O)c1ccc(Oc2ccc(C(=O)n3ncc(-c4nn[n-]n4)c3N)cc2)cc1 ZINC000737760218 598409485 /nfs/dbraw/zinc/40/94/85/598409485.db2.gz JAWFGFGTRGCJJC-UHFFFAOYSA-N -1 1 390.363 1.225 20 0 GDADMM CCO[C@H](CC)C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000736613701 598409787 /nfs/dbraw/zinc/40/97/87/598409787.db2.gz FIRGZUJABBTWCW-CQSZACIVSA-N -1 1 399.411 1.349 20 0 GDADMM CCO[C@H](CC)C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736613701 598409788 /nfs/dbraw/zinc/40/97/88/598409788.db2.gz FIRGZUJABBTWCW-CQSZACIVSA-N -1 1 399.411 1.349 20 0 GDADMM O=C(c1ccc(Cl)cc1F)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000738257001 598421509 /nfs/dbraw/zinc/42/15/09/598421509.db2.gz CAXOOAPEGHVUPO-UHFFFAOYSA-N -1 1 388.794 1.412 20 0 GDADMM O=C(c1ccc(Cl)cc1F)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000738257001 598421511 /nfs/dbraw/zinc/42/15/11/598421511.db2.gz CAXOOAPEGHVUPO-UHFFFAOYSA-N -1 1 388.794 1.412 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N(C)c1ncccc1F ZINC000822459539 607354700 /nfs/dbraw/zinc/35/47/00/607354700.db2.gz RDXXKTKQMKCVCT-UHFFFAOYSA-N -1 1 395.402 1.656 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N(C)c1ncccc1F ZINC000822459539 607354702 /nfs/dbraw/zinc/35/47/02/607354702.db2.gz RDXXKTKQMKCVCT-UHFFFAOYSA-N -1 1 395.402 1.656 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCCc2c(C)noc2C)cc1-c1nn[n-]n1 ZINC000737187431 598429714 /nfs/dbraw/zinc/42/97/14/598429714.db2.gz RSQHBDDQSAPHCB-UHFFFAOYSA-N -1 1 375.414 1.267 20 0 GDADMM CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)n1ncc(-c3nn[n-]n3)c1N)O[C@@H](C)C2 ZINC000736636102 598429891 /nfs/dbraw/zinc/42/98/91/598429891.db2.gz NZPMGEMQTDJVLU-GAFUQQFSSA-N -1 1 395.423 1.811 20 0 GDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCc1ccc(F)cc1-c1nn[nH]n1 ZINC000737486498 598568372 /nfs/dbraw/zinc/56/83/72/598568372.db2.gz BLNGIYUMMLROLG-UHFFFAOYSA-N -1 1 397.370 1.657 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@@H]1Cn1cccn1 ZINC000737199713 598612180 /nfs/dbraw/zinc/61/21/80/598612180.db2.gz IVWCJKHSQMMNQL-CQSZACIVSA-N -1 1 396.455 1.404 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2CCCC[C@H]2Cc2ccccc2)n(C)c1=O ZINC000737595076 598613691 /nfs/dbraw/zinc/61/36/91/598613691.db2.gz FJTFLOWRQUFPIW-LSDHHAIUSA-N -1 1 395.467 1.478 20 0 GDADMM CCc1nn(CC(=O)NCc2sccc2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705420 598640035 /nfs/dbraw/zinc/64/00/35/598640035.db2.gz HZWUJYFFIABABE-UHFFFAOYSA-N -1 1 387.469 1.235 20 0 GDADMM CCc1nn(Cc2csc(-c3cnn(C)c3)n2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706214 598641895 /nfs/dbraw/zinc/64/18/95/598641895.db2.gz ILTOOBSRHWHHMS-UHFFFAOYSA-N -1 1 397.468 1.454 20 0 GDADMM CCCC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000736412451 598692857 /nfs/dbraw/zinc/69/28/57/598692857.db2.gz PFDHPOPDNBENSW-NSHDSACASA-N -1 1 396.448 1.075 20 0 GDADMM CN(C)c1cccc(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000736781011 598693129 /nfs/dbraw/zinc/69/31/29/598693129.db2.gz UGOVBTONYKTRLS-UHFFFAOYSA-N -1 1 376.417 1.550 20 0 GDADMM CC[C@H]1CN(CC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)C[C@@H](C)O1 ZINC000736407388 598706744 /nfs/dbraw/zinc/70/67/44/598706744.db2.gz GNGMQIFMQSUFHI-HIFRSBDPSA-N -1 1 396.455 1.490 20 0 GDADMM CC[C@H]1CN(CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)C[C@@H](C)O1 ZINC000736407388 598706746 /nfs/dbraw/zinc/70/67/46/598706746.db2.gz GNGMQIFMQSUFHI-HIFRSBDPSA-N -1 1 396.455 1.490 20 0 GDADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)N1CCO[C@H]2CCCC[C@H]21 ZINC000737981235 598719860 /nfs/dbraw/zinc/71/98/60/598719860.db2.gz KGUXYAKUKRKGEI-SJORKVTESA-N -1 1 394.435 1.352 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)C(=O)N(C)C)c1-c1nn[n-]n1 ZINC000737188740 598812340 /nfs/dbraw/zinc/81/23/40/598812340.db2.gz FOUXIJDPAGHZIW-QMMMGPOBSA-N -1 1 375.458 1.068 20 0 GDADMM C[C@H](c1cc2ccccc2o1)N(C)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736196604 598814059 /nfs/dbraw/zinc/81/40/59/598814059.db2.gz KPUSTTPBIUBVGV-SNVBAGLBSA-N -1 1 381.396 1.208 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N(Cc2ccc(Cl)cc2)C2CC2)n(C)c1=O ZINC000737589355 598815550 /nfs/dbraw/zinc/81/55/50/598815550.db2.gz CQGCKNSUANSSOW-UHFFFAOYSA-N -1 1 387.831 1.087 20 0 GDADMM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(-c2nn[nH]n2)ccc1C ZINC000821772662 599305906 /nfs/dbraw/zinc/30/59/06/599305906.db2.gz KFOQBJBZDLAAFV-UHFFFAOYSA-N -1 1 389.393 1.683 20 0 GDADMM COc1ccc2c(c1)CN(S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)CC2 ZINC000821849241 599340187 /nfs/dbraw/zinc/34/01/87/599340187.db2.gz AHDGLBYYYKHWIH-UHFFFAOYSA-N -1 1 389.412 1.761 20 0 GDADMM COc1ccc2c(c1)CN(S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)CC2 ZINC000821849241 599340190 /nfs/dbraw/zinc/34/01/90/599340190.db2.gz AHDGLBYYYKHWIH-UHFFFAOYSA-N -1 1 389.412 1.761 20 0 GDADMM COc1ccc2c(c1)OCC[C@H]2NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821854870 599354512 /nfs/dbraw/zinc/35/45/12/599354512.db2.gz ZAZFIICIVWHMEI-CYBMUJFWSA-N -1 1 388.409 1.072 20 0 GDADMM COc1ccc2c(c1)OCC[C@H]2NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821854870 599354513 /nfs/dbraw/zinc/35/45/13/599354513.db2.gz ZAZFIICIVWHMEI-CYBMUJFWSA-N -1 1 388.409 1.072 20 0 GDADMM C[C@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)Oc1cccc(F)c1 ZINC000820276800 599362219 /nfs/dbraw/zinc/36/22/19/599362219.db2.gz ZVOHJTSGIRLZLL-SNVBAGLBSA-N -1 1 378.389 1.147 20 0 GDADMM C[C@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)Oc1cccc(F)c1 ZINC000820276800 599362221 /nfs/dbraw/zinc/36/22/21/599362221.db2.gz ZVOHJTSGIRLZLL-SNVBAGLBSA-N -1 1 378.389 1.147 20 0 GDADMM C[C@@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)Oc1ccc(F)cc1 ZINC000820276771 599364922 /nfs/dbraw/zinc/36/49/22/599364922.db2.gz YTTQTIQOBOZKLE-JTQLQIEISA-N -1 1 378.389 1.147 20 0 GDADMM C[C@@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)Oc1ccc(F)cc1 ZINC000820276771 599364924 /nfs/dbraw/zinc/36/49/24/599364924.db2.gz YTTQTIQOBOZKLE-JTQLQIEISA-N -1 1 378.389 1.147 20 0 GDADMM NC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000737741326 599400633 /nfs/dbraw/zinc/40/06/33/599400633.db2.gz WNTZZMIMVYXUQM-INIZCTEOSA-N -1 1 398.858 1.264 20 0 GDADMM NC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000737741326 599400635 /nfs/dbraw/zinc/40/06/35/599400635.db2.gz WNTZZMIMVYXUQM-INIZCTEOSA-N -1 1 398.858 1.264 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCC(C)(C)C[C@@H](C)O ZINC000822005915 599428649 /nfs/dbraw/zinc/42/86/49/599428649.db2.gz VNFBKRDYOMMCHE-SNVBAGLBSA-N -1 1 376.461 1.430 20 0 GDADMM Cn1ccnc1CN1CCCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000737615817 599430730 /nfs/dbraw/zinc/43/07/30/599430730.db2.gz MBKSCFJDAQBZLN-UHFFFAOYSA-N -1 1 379.881 1.422 20 0 GDADMM Cn1ccnc1CN1CCCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000737615817 599430732 /nfs/dbraw/zinc/43/07/32/599430732.db2.gz MBKSCFJDAQBZLN-UHFFFAOYSA-N -1 1 379.881 1.422 20 0 GDADMM O=C1C[C@H](c2cccc([N-]S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)c2)CN1 ZINC000823520873 607377920 /nfs/dbraw/zinc/37/79/20/607377920.db2.gz OLFQSKMUKLKAKW-ZDUSSCGKSA-N -1 1 384.421 1.271 20 0 GDADMM C[C@H](C(=O)N1CCCCCC1)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000735520234 599433614 /nfs/dbraw/zinc/43/36/14/599433614.db2.gz NZRXPXVYIAGAAS-OAHLLOKOSA-N -1 1 384.488 1.175 20 0 GDADMM C[C@H]1CCC[C@@H](NC(=O)CN2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)C1 ZINC000736260113 599433655 /nfs/dbraw/zinc/43/36/55/599433655.db2.gz LAOGAUHXTSBPIP-LSDHHAIUSA-N -1 1 384.488 1.079 20 0 GDADMM CCO[C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C12CCC2 ZINC000821360440 599445650 /nfs/dbraw/zinc/44/56/50/599445650.db2.gz RGYMWECQNHAZNF-NEPJUHHUSA-N -1 1 390.469 1.767 20 0 GDADMM CNC(=O)Cn1ccc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)cc21 ZINC000821634193 599469223 /nfs/dbraw/zinc/46/92/23/599469223.db2.gz WFBMTPUSGWCVLZ-UHFFFAOYSA-N -1 1 376.380 1.215 20 0 GDADMM CNC(=O)Cn1ccc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)cc21 ZINC000821634193 599469225 /nfs/dbraw/zinc/46/92/25/599469225.db2.gz WFBMTPUSGWCVLZ-UHFFFAOYSA-N -1 1 376.380 1.215 20 0 GDADMM C[C@@H]1[C@@H](C)[S@@](=O)CCN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736224359 599480927 /nfs/dbraw/zinc/48/09/27/599480927.db2.gz MJCOVYLGQFUSGX-LVPZIMMTSA-N -1 1 389.890 1.050 20 0 GDADMM C[C@@H]1[C@@H](C)[S@@](=O)CCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736224359 599480929 /nfs/dbraw/zinc/48/09/29/599480929.db2.gz MJCOVYLGQFUSGX-LVPZIMMTSA-N -1 1 389.890 1.050 20 0 GDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000822459096 599519885 /nfs/dbraw/zinc/51/98/85/599519885.db2.gz MFEHXEOSLBMENI-JTQLQIEISA-N -1 1 392.423 1.652 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCCC[C@H]1c1ncon1 ZINC000737201350 599550756 /nfs/dbraw/zinc/55/07/56/599550756.db2.gz RNYQVPPQWUWLQE-ZDUSSCGKSA-N -1 1 398.427 1.654 20 0 GDADMM CCOC(=O)c1nc(-c2ccccc2)oc1Cn1cccc(-c2nn[n-]n2)c1=O ZINC000821346076 599646288 /nfs/dbraw/zinc/64/62/88/599646288.db2.gz CNBPUYZPJONRPG-UHFFFAOYSA-N -1 1 392.375 1.908 20 0 GDADMM CC(=O)c1ccc([O-])c(CCOC(=O)COc2ccccc2-c2nn[nH]n2)c1 ZINC000819834628 599648616 /nfs/dbraw/zinc/64/86/16/599648616.db2.gz PJMZKUBSNHTQIM-UHFFFAOYSA-N -1 1 382.376 1.940 20 0 GDADMM 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602803056 /nfs/dbraw/zinc/80/30/56/602803056.db2.gz MJHHKCUOYLCUKV-QGZVFWFLSA-N -1 1 376.501 1.918 20 0 GDADMM CNC(=O)c1ccc(OS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cc1 ZINC000826068361 607587557 /nfs/dbraw/zinc/58/75/57/607587557.db2.gz RLXPMSALQIPVOM-UHFFFAOYSA-N -1 1 393.812 1.647 20 0 GDADMM CNC(=O)c1ccc(OS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cc1 ZINC000826068361 607587560 /nfs/dbraw/zinc/58/75/60/607587560.db2.gz RLXPMSALQIPVOM-UHFFFAOYSA-N -1 1 393.812 1.647 20 0 GDADMM C[C@H]1CN(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)CC[C@H]1NC(=O)[O-] ZINC000739150637 602817947 /nfs/dbraw/zinc/81/79/47/602817947.db2.gz YDIUIDIWDKPCGT-GOEBONIOSA-N -1 1 390.488 1.021 20 0 GDADMM C[C@@H]1CN(Cc2ccc(CNC(=O)[C@H]3COCCN3C(=O)[O-])cc2)C[C@H](C)O1 ZINC000739185995 602843335 /nfs/dbraw/zinc/84/33/35/602843335.db2.gz RUCGMXZKVHGQCJ-RVKKMQEKSA-N -1 1 391.468 1.291 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000826495543 607589867 /nfs/dbraw/zinc/58/98/67/607589867.db2.gz SVSMQESNZSAVMT-JTQLQIEISA-N -1 1 393.860 1.812 20 0 GDADMM O=C([O-])N(CC(=O)NC1CCN(Cc2ccccn2)CC1)C[C@H]1CCCO1 ZINC000740364980 602852814 /nfs/dbraw/zinc/85/28/14/602852814.db2.gz MKPDDPWHFXLXME-QGZVFWFLSA-N -1 1 376.457 1.321 20 0 GDADMM CN1CCN(c2ncccc2CNC(=O)c2ccc(NC(=O)[O-])cc2O)CC1 ZINC000739737572 602854926 /nfs/dbraw/zinc/85/49/26/602854926.db2.gz ZVXWGLAVCCEAPZ-UHFFFAOYSA-N -1 1 385.424 1.559 20 0 GDADMM C[C@H](OC(=O)[C@@H]1CCN(C(=O)[O-])C1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000739041314 602900071 /nfs/dbraw/zinc/90/00/71/602900071.db2.gz DTTXYHKGPJMKJC-USXIJHARSA-N -1 1 389.452 1.309 20 0 GDADMM Cc1ccn2cc(CNS(=O)(=O)c3ccc(F)cc3-c3nn[n-]n3)nc2c1 ZINC000826308584 607594595 /nfs/dbraw/zinc/59/45/95/607594595.db2.gz GTOAMULXGNSGQY-UHFFFAOYSA-N -1 1 387.400 1.440 20 0 GDADMM O=C([O-])N[C@@H](CCC(=O)N1CC[C@H](CN2CCOCC2)C1)c1ccccc1 ZINC000740533581 602971277 /nfs/dbraw/zinc/97/12/77/602971277.db2.gz QOKIBFIGCDTNAI-AEFFLSMTSA-N -1 1 375.469 1.956 20 0 GDADMM Cn1c(=O)c2ccc(C(=O)N[C@H]3CCC[C@@H]3CNC(=O)[O-])cc2[nH]c1=S ZINC000740284295 602976405 /nfs/dbraw/zinc/97/64/05/602976405.db2.gz YRTWGFBBMVUMNO-PWSUYJOCSA-N -1 1 376.438 1.388 20 0 GDADMM COc1ccc(-c2n[nH]c(CNC(=O)N[C@@H]3CCCCN(C(=O)[O-])C3)n2)cc1 ZINC000739880090 602977318 /nfs/dbraw/zinc/97/73/18/602977318.db2.gz RXIFDLOGWYWINR-CYBMUJFWSA-N -1 1 388.428 1.812 20 0 GDADMM COc1ccc(-c2nc(CNC(=O)N[C@@H]3CCCCN(C(=O)[O-])C3)n[nH]2)cc1 ZINC000739880090 602977320 /nfs/dbraw/zinc/97/73/20/602977320.db2.gz RXIFDLOGWYWINR-CYBMUJFWSA-N -1 1 388.428 1.812 20 0 GDADMM O=C(CN1CCN(C(=O)[O-])CC1=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000740371312 602997196 /nfs/dbraw/zinc/99/71/96/602997196.db2.gz WVAGLVGIUJBERS-AWEZNQCLSA-N -1 1 387.396 1.175 20 0 GDADMM Cc1c(CN2CCSCC2)cccc1NC(=O)[C@@H]1C[C@H](O)CN1C(=O)[O-] ZINC000740046128 603075382 /nfs/dbraw/zinc/07/53/82/603075382.db2.gz BLPWCTOCPYIAAG-HOCLYGCPSA-N -1 1 379.482 1.596 20 0 GDADMM Cc1ccc2c(c1)c(=O)n(C)c1nnc(CN[C@@](C)(CNC(=O)[O-])C(C)C)n12 ZINC000740153813 603080957 /nfs/dbraw/zinc/08/09/57/603080957.db2.gz NSFORLHEJYBNNC-IBGZPJMESA-N -1 1 386.456 1.662 20 0 GDADMM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)c1ccnc(N2CCN(C)CC2)c1 ZINC000739206970 603099091 /nfs/dbraw/zinc/09/90/91/603099091.db2.gz KDFDQWWMVWDJOX-ZFWWWQNUSA-N -1 1 391.472 1.067 20 0 GDADMM COc1cccc([C@@H](CNC(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)N(C)C)c1 ZINC000739946894 603107937 /nfs/dbraw/zinc/10/79/37/603107937.db2.gz YCMCOPZRZIAMTI-QGZVFWFLSA-N -1 1 392.500 1.488 20 0 GDADMM COc1ccc(-c2n[nH]c(CNC(=O)N3CCC(CNC(=O)[O-])CC3)n2)cc1 ZINC000739877907 603127624 /nfs/dbraw/zinc/12/76/24/603127624.db2.gz DBZGGGUAGMICEQ-UHFFFAOYSA-N -1 1 388.428 1.670 20 0 GDADMM COc1ccc(-c2nc(CNC(=O)N3CCC(CNC(=O)[O-])CC3)n[nH]2)cc1 ZINC000739877907 603127627 /nfs/dbraw/zinc/12/76/27/603127627.db2.gz DBZGGGUAGMICEQ-UHFFFAOYSA-N -1 1 388.428 1.670 20 0 GDADMM COc1ccc(-c2n[nH]c(CNC(=O)N3CC[C@H](NC(=O)[O-])[C@H](C)C3)n2)cc1 ZINC000739880059 603128093 /nfs/dbraw/zinc/12/80/93/603128093.db2.gz RGDIZJHGJNRPDJ-RISCZKNCSA-N -1 1 388.428 1.668 20 0 GDADMM COc1ccc(-c2nc(CNC(=O)N3CC[C@H](NC(=O)[O-])[C@H](C)C3)n[nH]2)cc1 ZINC000739880059 603128096 /nfs/dbraw/zinc/12/80/96/603128096.db2.gz RGDIZJHGJNRPDJ-RISCZKNCSA-N -1 1 388.428 1.668 20 0 GDADMM CC(=O)N1CCC(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000823973978 607609204 /nfs/dbraw/zinc/60/92/04/607609204.db2.gz NGAUWDVGQCOYGQ-UHFFFAOYSA-N -1 1 398.876 1.057 20 0 GDADMM CC(=O)N1CCC(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000823973978 607609206 /nfs/dbraw/zinc/60/92/06/607609206.db2.gz NGAUWDVGQCOYGQ-UHFFFAOYSA-N -1 1 398.876 1.057 20 0 GDADMM COC(=O)C1CCC(NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000826132854 607609916 /nfs/dbraw/zinc/60/99/16/607609916.db2.gz HDZHCZXMVRRSMR-UHFFFAOYSA-N -1 1 383.405 1.016 20 0 GDADMM COC(=O)C1CCC(NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000826132854 607609918 /nfs/dbraw/zinc/60/99/18/607609918.db2.gz HDZHCZXMVRRSMR-UHFFFAOYSA-N -1 1 383.405 1.016 20 0 GDADMM COc1cc(C=CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc(OC)c1O ZINC000826178586 607610568 /nfs/dbraw/zinc/61/05/68/607610568.db2.gz DMUAMVYKOSSILM-ARJAWSKDSA-N -1 1 383.364 1.741 20 0 GDADMM COc1cc(C=CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc(OC)c1O ZINC000826178586 607610570 /nfs/dbraw/zinc/61/05/70/607610570.db2.gz DMUAMVYKOSSILM-ARJAWSKDSA-N -1 1 383.364 1.741 20 0 GDADMM O=S(=O)(NCCOc1ccc(F)cc1F)c1cccc(F)c1-c1nnn[n-]1 ZINC000826491371 607611247 /nfs/dbraw/zinc/61/12/47/607611247.db2.gz GQLGVASBCNXGRO-UHFFFAOYSA-N -1 1 399.354 1.641 20 0 GDADMM O=S(=O)(NCCOc1ccc(F)cc1F)c1cccc(F)c1-c1nn[n-]n1 ZINC000826491371 607611248 /nfs/dbraw/zinc/61/12/48/607611248.db2.gz GQLGVASBCNXGRO-UHFFFAOYSA-N -1 1 399.354 1.641 20 0 GDADMM O=S(=O)(N[C@@H]1CCN(c2ccccc2)C1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826488400 607611262 /nfs/dbraw/zinc/61/12/62/607611262.db2.gz OWIICAVFGDYINK-CYBMUJFWSA-N -1 1 388.428 1.563 20 0 GDADMM COCc1cc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)ccc1F ZINC000826164209 607611870 /nfs/dbraw/zinc/61/18/70/607611870.db2.gz HZXVBYKDQDZGBJ-UHFFFAOYSA-N -1 1 395.391 1.770 20 0 GDADMM O=C([O-])NCCNC(=O)[C@H]1CCCN(C(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC000740660209 603196162 /nfs/dbraw/zinc/19/61/62/603196162.db2.gz OSQANJBSDRQFMY-AWEZNQCLSA-N -1 1 385.424 1.313 20 0 GDADMM CN(CCCNC(=O)[O-])CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000739682835 603258477 /nfs/dbraw/zinc/25/84/77/603258477.db2.gz UOKCYNLQPIZHQC-UHFFFAOYSA-N -1 1 382.505 1.263 20 0 GDADMM O=S(=O)(NC[C@@H]1OCCc2ccccc21)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826490927 607615861 /nfs/dbraw/zinc/61/58/61/607615861.db2.gz NAGOGVIRQGVDBC-HNNXBMFYSA-N -1 1 389.412 1.598 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N(CCO)Cc1ccccc1 ZINC000826495423 607622200 /nfs/dbraw/zinc/62/22/00/607622200.db2.gz OQPXNDXVDWETLN-UHFFFAOYSA-N -1 1 393.856 1.703 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N(CCO)Cc1ccccc1 ZINC000826495423 607622202 /nfs/dbraw/zinc/62/22/02/607622202.db2.gz OQPXNDXVDWETLN-UHFFFAOYSA-N -1 1 393.856 1.703 20 0 GDADMM O=C([O-])N1CC[C@H](CN2CCN(CC(=O)N3CCCc4ccccc43)CC2)C1 ZINC000740504396 603344169 /nfs/dbraw/zinc/34/41/69/603344169.db2.gz XAFFPJSTWXBNME-QGZVFWFLSA-N -1 1 386.496 1.583 20 0 GDADMM C[C@H](CNC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-])N1CCc2ccccc2C1 ZINC000738919524 603392309 /nfs/dbraw/zinc/39/23/09/603392309.db2.gz YEBTUFWJLJTTHE-QAPCUYQASA-N -1 1 375.469 1.708 20 0 GDADMM C[C@@H]1CN(CC(=O)N2CCN(Cc3cccs3)CC2)CC[C@@H]1NC(=O)[O-] ZINC000739174529 603414014 /nfs/dbraw/zinc/41/40/14/603414014.db2.gz PAGVAHPSEPMPHP-ZBFHGGJFSA-N -1 1 380.514 1.370 20 0 GDADMM C[C@@H](Cc1cccc(O)c1)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824457520 607627949 /nfs/dbraw/zinc/62/79/49/607627949.db2.gz OPJHIUZIGKLPDG-JTQLQIEISA-N -1 1 377.401 1.621 20 0 GDADMM O=S(=O)(NC[C@H](O)c1cccc(F)c1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826489535 607630361 /nfs/dbraw/zinc/63/03/61/607630361.db2.gz SSIKHFYHBFNIAV-LBPRGKRZSA-N -1 1 397.819 1.671 20 0 GDADMM O=S(=O)(NC[C@H](O)c1cccc(F)c1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826489535 607630362 /nfs/dbraw/zinc/63/03/62/607630362.db2.gz SSIKHFYHBFNIAV-LBPRGKRZSA-N -1 1 397.819 1.671 20 0 GDADMM O=C([O-])N[C@H](CNC(=O)N1CCN(C2CCOCC2)CC1)c1ccccc1 ZINC000832127928 603534644 /nfs/dbraw/zinc/53/46/44/603534644.db2.gz KEJQUEHNDKELRB-QGZVFWFLSA-N -1 1 376.457 1.502 20 0 GDADMM CC(C)[C@@](C)(O)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824193271 607635530 /nfs/dbraw/zinc/63/55/30/607635530.db2.gz VZLRXXISQOUNAQ-ZDUSSCGKSA-N -1 1 393.391 1.571 20 0 GDADMM CC(C)N(C)C(=O)C1CCN(C(=O)CN(C)CC(C)(C)CNC(=O)[O-])CC1 ZINC000824323997 603546022 /nfs/dbraw/zinc/54/60/22/603546022.db2.gz OTYTWFREQVWYMQ-UHFFFAOYSA-N -1 1 384.521 1.317 20 0 GDADMM C[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)[C@@H](O)c1ccc(F)cc1 ZINC000824641811 607636494 /nfs/dbraw/zinc/63/64/94/607636494.db2.gz ZDRSNNCVAZFBCT-RFAUZJTJSA-N -1 1 395.391 1.545 20 0 GDADMM CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N[C@H]1CCCCN(C(=O)[O-])C1 ZINC000828042409 603561853 /nfs/dbraw/zinc/56/18/53/603561853.db2.gz CUAANZJBTKOUAP-AWEZNQCLSA-N -1 1 377.445 1.501 20 0 GDADMM C[C@@H](NC(=O)Nc1cc(C(N)=O)ccc1CN(C)C)[C@H]1CCCN(C(=O)[O-])C1 ZINC000825172232 603561906 /nfs/dbraw/zinc/56/19/06/603561906.db2.gz RFOHGBLRWBGVAN-OCCSQVGLSA-N -1 1 391.472 1.747 20 0 GDADMM C[C@H]1CN(CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)C[C@H](C)N1C(=O)[O-] ZINC000826059718 603563754 /nfs/dbraw/zinc/56/37/54/603563754.db2.gz YZVYFVZUVOFNOK-QWRGUYRKSA-N -1 1 382.848 1.840 20 0 GDADMM O=S(=O)(N[C@H](CO)c1cccc(F)c1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826487431 607638819 /nfs/dbraw/zinc/63/88/19/607638819.db2.gz ONFSJUZHLSWIJH-GFCCVEGCSA-N -1 1 381.364 1.157 20 0 GDADMM O=S(=O)(N[C@H](CO)c1cccc(F)c1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826487431 607638822 /nfs/dbraw/zinc/63/88/22/607638822.db2.gz ONFSJUZHLSWIJH-GFCCVEGCSA-N -1 1 381.364 1.157 20 0 GDADMM O=C([O-])N1CCC(NC(=O)NCC2(CN3CCOCC3)CCCCC2)CC1 ZINC000831628143 603608642 /nfs/dbraw/zinc/60/86/42/603608642.db2.gz PNKIHRGRIJARAV-UHFFFAOYSA-N -1 1 382.505 1.711 20 0 GDADMM CN(CC(=O)N1CCN(Cc2ccsc2)CC1)CC(C)(C)CNC(=O)[O-] ZINC000828095395 603627712 /nfs/dbraw/zinc/62/77/12/603627712.db2.gz GDLOYGTVMJEYOY-UHFFFAOYSA-N -1 1 382.530 1.618 20 0 GDADMM O=S(=O)(N[C@@H](CCCO)c1ccccc1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826487614 607644428 /nfs/dbraw/zinc/64/44/28/607644428.db2.gz UPZGBCUNPRMMDW-HNNXBMFYSA-N -1 1 391.428 1.798 20 0 GDADMM O=S(=O)(N[C@H](CCO)c1cccs1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826487577 607643622 /nfs/dbraw/zinc/64/36/22/607643622.db2.gz SJKHTHGANFLHSZ-SNVBAGLBSA-N -1 1 383.430 1.469 20 0 GDADMM O=S(=O)(N[C@H](CCO)c1cccs1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826487577 607643623 /nfs/dbraw/zinc/64/36/23/607643623.db2.gz SJKHTHGANFLHSZ-SNVBAGLBSA-N -1 1 383.430 1.469 20 0 GDADMM Cc1ccc([C@H](O)CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)o1 ZINC000826284292 607644207 /nfs/dbraw/zinc/64/42/07/607644207.db2.gz OZYHSJJQYXIVJS-SNVBAGLBSA-N -1 1 383.817 1.433 20 0 GDADMM Cc1ccc([C@H](O)CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)o1 ZINC000826284292 607644208 /nfs/dbraw/zinc/64/42/08/607644208.db2.gz OZYHSJJQYXIVJS-SNVBAGLBSA-N -1 1 383.817 1.433 20 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/nfs/dbraw/zinc/16/66/73/606166673.db2.gz DINXGRLAOMCSBT-UHFFFAOYSA-N -1 1 397.443 1.399 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)n1 ZINC000822609359 606170502 /nfs/dbraw/zinc/17/05/02/606170502.db2.gz MTMDPMFZPQQMBG-UHFFFAOYSA-N -1 1 392.427 1.888 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)n1 ZINC000822609359 606170504 /nfs/dbraw/zinc/17/05/04/606170504.db2.gz MTMDPMFZPQQMBG-UHFFFAOYSA-N -1 1 392.427 1.888 20 0 GDADMM Cc1nc2ccnn2c(C)c1CCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822462689 606292794 /nfs/dbraw/zinc/29/27/94/606292794.db2.gz LYJXNBKBCYPEQO-UHFFFAOYSA-N -1 1 378.396 1.803 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])C1 ZINC000819933333 606293938 /nfs/dbraw/zinc/29/39/38/606293938.db2.gz NXSWWHSASZDPBI-QGZVFWFLSA-N -1 1 392.391 1.860 20 0 GDADMM CCn1nc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c(=O)c2ccccc21 ZINC000821566619 606296393 /nfs/dbraw/zinc/29/63/93/606296393.db2.gz MHPRALXYHJZIBU-UHFFFAOYSA-N -1 1 377.364 1.554 20 0 GDADMM NC(=O)c1cn(CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c2ccccc12 ZINC000822890359 606296522 /nfs/dbraw/zinc/29/65/22/606296522.db2.gz RZWXAQVTOIGLEP-UHFFFAOYSA-N -1 1 377.364 1.265 20 0 GDADMM COCCN1C(=O)N[C@H](c2ccc(-c3nn[n-]n3)s2)C(C(=O)N(C)C)=C1C ZINC000821690716 606393799 /nfs/dbraw/zinc/39/37/99/606393799.db2.gz WXXHKOJECCELQT-CYBMUJFWSA-N -1 1 391.457 1.003 20 0 GDADMM CC(C)S(=O)(=O)N1CC[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC000820770146 606473209 /nfs/dbraw/zinc/47/32/09/606473209.db2.gz YYSJSQPPIBRNON-PWSUYJOCSA-N -1 1 399.908 1.776 20 0 GDADMM CC(C)S(=O)(=O)N1CC[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC000820770146 606473211 /nfs/dbraw/zinc/47/32/11/606473211.db2.gz YYSJSQPPIBRNON-PWSUYJOCSA-N -1 1 399.908 1.776 20 0 GDADMM O=C(NCc1cccc(CN2CCCC2=O)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823257489 606510847 /nfs/dbraw/zinc/51/08/47/606510847.db2.gz OVWLOVYFEOIFGX-UHFFFAOYSA-N -1 1 382.449 1.981 20 0 GDADMM O=C(NCc1cccc(CN2CCCC2=O)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823257489 606510849 /nfs/dbraw/zinc/51/08/49/606510849.db2.gz OVWLOVYFEOIFGX-UHFFFAOYSA-N -1 1 382.449 1.981 20 0 GDADMM Cc1ccc(C2N=NC(=S)N2CC(=O)Nc2n[nH]cc2-c2nnn[n-]2)cc1 ZINC000822214876 606532014 /nfs/dbraw/zinc/53/20/14/606532014.db2.gz BQKNSFBBPMTXEG-UHFFFAOYSA-N -1 1 382.413 1.084 20 0 GDADMM Cc1ccc(C2N=NC(=S)N2CC(=O)Nc2n[nH]cc2-c2nn[n-]n2)cc1 ZINC000822214876 606532017 /nfs/dbraw/zinc/53/20/17/606532017.db2.gz BQKNSFBBPMTXEG-UHFFFAOYSA-N -1 1 382.413 1.084 20 0 GDADMM CS(=O)(=O)Cc1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821933124 606543096 /nfs/dbraw/zinc/54/30/96/606543096.db2.gz VEVQFCLOAZQBJD-UHFFFAOYSA-N -1 1 377.451 1.403 20 0 GDADMM CS(=O)(=O)Cc1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821933124 606543098 /nfs/dbraw/zinc/54/30/98/606543098.db2.gz VEVQFCLOAZQBJD-UHFFFAOYSA-N -1 1 377.451 1.403 20 0 GDADMM NC(=O)C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1cccc(Cl)c1 ZINC000822874007 606553631 /nfs/dbraw/zinc/55/36/31/606553631.db2.gz PMDOYUNOWQQTGX-SNVBAGLBSA-N -1 1 376.829 1.928 20 0 GDADMM NC(=O)C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1cccc(Cl)c1 ZINC000822874007 606553633 /nfs/dbraw/zinc/55/36/33/606553633.db2.gz PMDOYUNOWQQTGX-SNVBAGLBSA-N -1 1 376.829 1.928 20 0 GDADMM O=C(N[C@@H](Cc1ccccc1)CN1CCOCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823140540 606559004 /nfs/dbraw/zinc/55/90/04/606559004.db2.gz WBSZFVAALYVIEA-HNNXBMFYSA-N -1 1 398.492 1.602 20 0 GDADMM O=C(N[C@@H](Cc1ccccc1)CN1CCOCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823140540 606559006 /nfs/dbraw/zinc/55/90/06/606559006.db2.gz WBSZFVAALYVIEA-HNNXBMFYSA-N -1 1 398.492 1.602 20 0 GDADMM O=C(Cn1cccc(-c2nn[n-]n2)c1=O)N(Cc1ccccc1)CC(F)(F)F ZINC000823123431 606615078 /nfs/dbraw/zinc/61/50/78/606615078.db2.gz ZGXHXQVWLIWOFE-UHFFFAOYSA-N -1 1 392.341 1.620 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000823436299 606648449 /nfs/dbraw/zinc/64/84/49/606648449.db2.gz OZNFMROWMPXWJI-INIZCTEOSA-N -1 1 378.392 1.610 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000823436299 606648450 /nfs/dbraw/zinc/64/84/50/606648450.db2.gz OZNFMROWMPXWJI-INIZCTEOSA-N -1 1 378.392 1.610 20 0 GDADMM C[C@]1(C(=O)N2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)CCCO1 ZINC000820577350 606666955 /nfs/dbraw/zinc/66/69/55/606666955.db2.gz OZPUYOMRLXGTJU-GOSISDBHSA-N -1 1 399.411 1.332 20 0 GDADMM COc1ccc(F)c(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000821827503 606698300 /nfs/dbraw/zinc/69/83/00/606698300.db2.gz DEAFRVXSHZVLCE-UHFFFAOYSA-N -1 1 375.368 1.074 20 0 GDADMM COc1ccc(F)c(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000821827503 606698302 /nfs/dbraw/zinc/69/83/02/606698302.db2.gz DEAFRVXSHZVLCE-UHFFFAOYSA-N -1 1 375.368 1.074 20 0 GDADMM O=C([O-])Cc1cccc(NS(=O)(=O)c2ccc(F)cc2-c2nn[nH]n2)c1 ZINC000823387265 606765219 /nfs/dbraw/zinc/76/52/19/606765219.db2.gz GXXDDYQZRBNKFI-UHFFFAOYSA-N -1 1 377.357 1.434 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCc1ccccc1F ZINC000820788388 606767446 /nfs/dbraw/zinc/76/74/46/606767446.db2.gz FYEYJTCBKHQIEO-LBPRGKRZSA-N -1 1 397.418 1.216 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCc1ccccc1F ZINC000820788388 606767448 /nfs/dbraw/zinc/76/74/48/606767448.db2.gz FYEYJTCBKHQIEO-LBPRGKRZSA-N -1 1 397.418 1.216 20 0 GDADMM C[C@H](NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)C1CCCCC1 ZINC000820351729 606793393 /nfs/dbraw/zinc/79/33/93/606793393.db2.gz QXFOZASACRMXEZ-KGLIPLIRSA-N -1 1 399.503 1.846 20 0 GDADMM C[C@H](NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)C1CCCCC1 ZINC000820351729 606793394 /nfs/dbraw/zinc/79/33/94/606793394.db2.gz QXFOZASACRMXEZ-KGLIPLIRSA-N -1 1 399.503 1.846 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@H](C)C1CCOCC1 ZINC000822459130 606814112 /nfs/dbraw/zinc/81/41/12/606814112.db2.gz MZVLPVUFRBQVJV-LLVKDONJSA-N -1 1 398.471 1.390 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@H](C)C1CCOCC1 ZINC000822459130 606814114 /nfs/dbraw/zinc/81/41/14/606814114.db2.gz MZVLPVUFRBQVJV-LLVKDONJSA-N -1 1 398.471 1.390 20 0 GDADMM CC1CCC(=CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)CC1 ZINC000820676474 606817693 /nfs/dbraw/zinc/81/76/93/606817693.db2.gz NIQQCNCTSOTMPJ-KZUDCZAMSA-N -1 1 382.472 1.830 20 0 GDADMM CC1CCC(=CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)CC1 ZINC000820676474 606817695 /nfs/dbraw/zinc/81/76/95/606817695.db2.gz NIQQCNCTSOTMPJ-KZUDCZAMSA-N -1 1 382.472 1.830 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1ccccc1 ZINC000820775776 606820172 /nfs/dbraw/zinc/82/01/72/606820172.db2.gz JELZHQNSAUQECP-CQSZACIVSA-N -1 1 378.440 1.327 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1ccccc1 ZINC000820775776 606820174 /nfs/dbraw/zinc/82/01/74/606820174.db2.gz JELZHQNSAUQECP-CQSZACIVSA-N -1 1 378.440 1.327 20 0 GDADMM CC(C)c1cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)on1 ZINC000820187611 606821534 /nfs/dbraw/zinc/82/15/34/606821534.db2.gz JOIPFJAZGKCAII-NSHDSACASA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)on1 ZINC000820187611 606821535 /nfs/dbraw/zinc/82/15/35/606821535.db2.gz JOIPFJAZGKCAII-NSHDSACASA-N -1 1 383.416 1.119 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc2c(c1)COC2 ZINC000820788921 606823636 /nfs/dbraw/zinc/82/36/36/606823636.db2.gz RKADJGOZIVEQSE-GFCCVEGCSA-N -1 1 392.423 1.038 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc2c(c1)COC2 ZINC000820788921 606823637 /nfs/dbraw/zinc/82/36/37/606823637.db2.gz RKADJGOZIVEQSE-GFCCVEGCSA-N -1 1 392.423 1.038 20 0 GDADMM CC(C)CCSCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820081686 606824203 /nfs/dbraw/zinc/82/42/03/606824203.db2.gz RCWIBPPRQZYDPB-CYBMUJFWSA-N -1 1 390.517 1.473 20 0 GDADMM CC(C)CCSCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820081686 606824204 /nfs/dbraw/zinc/82/42/04/606824204.db2.gz RCWIBPPRQZYDPB-CYBMUJFWSA-N -1 1 390.517 1.473 20 0 GDADMM CC(=O)c1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cc1 ZINC000819833565 606829238 /nfs/dbraw/zinc/82/92/38/606829238.db2.gz HHMKXAURIJSAML-GFCCVEGCSA-N -1 1 392.423 1.210 20 0 GDADMM CC(=O)c1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cc1 ZINC000819833565 606829240 /nfs/dbraw/zinc/82/92/40/606829240.db2.gz HHMKXAURIJSAML-GFCCVEGCSA-N -1 1 392.423 1.210 20 0 GDADMM Cc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c(C)c1 ZINC000822226364 606832023 /nfs/dbraw/zinc/83/20/23/606832023.db2.gz OPNJEUYTCLATFH-CQSZACIVSA-N -1 1 378.440 1.624 20 0 GDADMM Cc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c(C)c1 ZINC000822226364 606832025 /nfs/dbraw/zinc/83/20/25/606832025.db2.gz OPNJEUYTCLATFH-CQSZACIVSA-N -1 1 378.440 1.624 20 0 GDADMM CCCn1cc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cn1 ZINC000821147509 606836211 /nfs/dbraw/zinc/83/62/11/606836211.db2.gz HGQXMPAJMXMMAC-GFCCVEGCSA-N -1 1 397.447 1.006 20 0 GDADMM CCCn1cc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cn1 ZINC000821147509 606836213 /nfs/dbraw/zinc/83/62/13/606836213.db2.gz HGQXMPAJMXMMAC-GFCCVEGCSA-N -1 1 397.447 1.006 20 0 GDADMM CCCC(=O)NC1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000821009350 606842202 /nfs/dbraw/zinc/84/22/02/606842202.db2.gz PGLVIVSIYLYGCI-UHFFFAOYSA-N -1 1 396.448 1.075 20 0 GDADMM CC(C)(C)OC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000819921788 606844611 /nfs/dbraw/zinc/84/46/11/606844611.db2.gz ACUAEWVRNQIMFB-SNVBAGLBSA-N -1 1 397.432 1.358 20 0 GDADMM Cc1ccc(I)cc1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000822241414 606968238 /nfs/dbraw/zinc/96/82/38/606968238.db2.gz VHEIMFOOMOWXDR-UHFFFAOYSA-N -1 1 395.164 1.247 20 0 GDADMM C[C@H](C[C@H](O)c1ccc(F)cc1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820235670 607005938 /nfs/dbraw/zinc/00/59/38/607005938.db2.gz UCIPOZJYJNNDHS-BMIGLBTASA-N -1 1 392.416 1.191 20 0 GDADMM C[C@H](C[C@H](O)c1ccc(F)cc1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820235670 607005940 /nfs/dbraw/zinc/00/59/40/607005940.db2.gz UCIPOZJYJNNDHS-BMIGLBTASA-N -1 1 392.416 1.191 20 0 GDADMM Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)n1ncc(-c3nn[n-]n3)c1N)CC2 ZINC000822459559 607018554 /nfs/dbraw/zinc/01/85/54/607018554.db2.gz SDMOEMWGWFAKBY-SSDOTTSWSA-N -1 1 393.333 1.208 20 0 GDADMM COc1cccc([C@@H]2CN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CCO2)c1 ZINC000821863967 607070298 /nfs/dbraw/zinc/07/02/98/607070298.db2.gz SEJSMEWEIIBQNA-AWEZNQCLSA-N -1 1 384.400 1.214 20 0 GDADMM COc1cccc([C@@H]2CN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CCO2)c1 ZINC000821863967 607070299 /nfs/dbraw/zinc/07/02/99/607070299.db2.gz SEJSMEWEIIBQNA-AWEZNQCLSA-N -1 1 384.400 1.214 20 0 GDADMM CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000821000237 607108138 /nfs/dbraw/zinc/10/81/38/607108138.db2.gz BHLJWWYCYKNJIN-OTOXVQDCSA-N -1 1 379.471 1.520 20 0 GDADMM CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000821000237 607108139 /nfs/dbraw/zinc/10/81/39/607108139.db2.gz BHLJWWYCYKNJIN-OTOXVQDCSA-N -1 1 379.471 1.520 20 0 GDADMM C[C@]1(c2ccccc2)CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC000820637489 607126597 /nfs/dbraw/zinc/12/65/97/607126597.db2.gz YBIDXYWHSBMLAH-QGZVFWFLSA-N -1 1 386.437 1.198 20 0 GDADMM C[C@]1(c2ccccc2)CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC000820637489 607126599 /nfs/dbraw/zinc/12/65/99/607126599.db2.gz YBIDXYWHSBMLAH-QGZVFWFLSA-N -1 1 386.437 1.198 20 0 GDADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1-n1cccn1 ZINC000820444162 607128538 /nfs/dbraw/zinc/12/85/38/607128538.db2.gz HFNATNPGIZEINT-GFCCVEGCSA-N -1 1 396.436 1.487 20 0 GDADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1-n1cccn1 ZINC000820444162 607128540 /nfs/dbraw/zinc/12/85/40/607128540.db2.gz HFNATNPGIZEINT-GFCCVEGCSA-N -1 1 396.436 1.487 20 0 GDADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(Cc2noc(-c3ccccc3C)n2)c1 ZINC000821666701 607157433 /nfs/dbraw/zinc/15/74/33/607157433.db2.gz ANYFLDIBQCISJK-UHFFFAOYSA-N -1 1 393.363 1.222 20 0 GDADMM Cc1nc(-c2ccc(CCNC(=O)Cn3cnc(-c4nn[n-]n4)n3)cc2)cs1 ZINC000822419664 607206221 /nfs/dbraw/zinc/20/62/21/607206221.db2.gz RZNWOKGNTQSKON-UHFFFAOYSA-N -1 1 395.452 1.249 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000823123071 607209865 /nfs/dbraw/zinc/20/98/65/607209865.db2.gz MSNMHNBWAYDEAN-BQBZGAKWSA-N -1 1 398.271 1.048 20 0 GDADMM C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820293557 607216497 /nfs/dbraw/zinc/21/64/97/607216497.db2.gz MQCKZXMLWPBAAO-VIFPVBQESA-N -1 1 380.334 1.224 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCCc1ccc(Cl)cc1Cl ZINC000823132035 607221068 /nfs/dbraw/zinc/22/10/68/607221068.db2.gz WFRMROHEMXDABI-UHFFFAOYSA-N -1 1 381.227 1.514 20 0 GDADMM Cc1nc(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)oc1-c1ccc(Cl)cc1 ZINC000822440147 607222259 /nfs/dbraw/zinc/22/22/59/607222259.db2.gz IQCHFGYIBKQGJO-UHFFFAOYSA-N -1 1 399.802 1.391 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCCCC[C@H]1/C=C\c1ccccc1 ZINC000823127128 607222562 /nfs/dbraw/zinc/22/25/62/607222562.db2.gz UEZUUQBTQDBXKL-SNGWPZLWSA-N -1 1 378.440 1.943 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC[C@@H](C)c2c(C)noc2C)cc1-c1nn[n-]n1 ZINC000826229939 607780955 /nfs/dbraw/zinc/78/09/55/607780955.db2.gz XHBSOUQIKRFLMM-SSDOTTSWSA-N -1 1 389.441 1.828 20 0 GDADMM COc1ccc(NC(=O)NC(=O)COc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826209592 607864377 /nfs/dbraw/zinc/86/43/77/607864377.db2.gz IUIMVTXAQGQOIW-UHFFFAOYSA-N -1 1 386.343 1.742 20 0 GDADMM COc1ccc(NC(=O)NC(=O)COc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826209592 607864378 /nfs/dbraw/zinc/86/43/78/607864378.db2.gz IUIMVTXAQGQOIW-UHFFFAOYSA-N -1 1 386.343 1.742 20 0 GDADMM O=C1c2ccccc2S(=O)(=O)N1CCOc1cccc(F)c1-c1nnn[n-]1 ZINC000826483174 607866667 /nfs/dbraw/zinc/86/66/67/607866667.db2.gz DJEPJOAQOMGNFE-UHFFFAOYSA-N -1 1 389.368 1.229 20 0 GDADMM O=C1c2ccccc2S(=O)(=O)N1CCOc1cccc(F)c1-c1nn[n-]n1 ZINC000826483174 607866668 /nfs/dbraw/zinc/86/66/68/607866668.db2.gz DJEPJOAQOMGNFE-UHFFFAOYSA-N -1 1 389.368 1.229 20 0 GDADMM O=S(=O)(c1ccc(Sc2cccc(-c3nnn[n-]3)n2)nc1)N1CCCC1 ZINC000826495285 607895740 /nfs/dbraw/zinc/89/57/40/607895740.db2.gz JVADXLWMRCFTAJ-UHFFFAOYSA-N -1 1 389.466 1.592 20 0 GDADMM O=S(=O)(c1ccc(Sc2cccc(-c3nn[n-]n3)n2)nc1)N1CCCC1 ZINC000826495285 607895741 /nfs/dbraw/zinc/89/57/41/607895741.db2.gz JVADXLWMRCFTAJ-UHFFFAOYSA-N -1 1 389.466 1.592 20 0 GDADMM Cn1ccnc1[C@H]1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000826364211 607907435 /nfs/dbraw/zinc/90/74/35/607907435.db2.gz OJSHRPIUNPUGOL-JTQLQIEISA-N -1 1 393.860 1.432 20 0 GDADMM Cn1ccnc1[C@H]1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000826364211 607907436 /nfs/dbraw/zinc/90/74/36/607907436.db2.gz OJSHRPIUNPUGOL-JTQLQIEISA-N -1 1 393.860 1.432 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C(C)(C)C1CCCC1 ZINC000825000145 607963167 /nfs/dbraw/zinc/96/31/67/607963167.db2.gz MZJDOOCKNDWTMY-CYBMUJFWSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C(C)(C)C1CCCC1 ZINC000825000145 607963168 /nfs/dbraw/zinc/96/31/68/607963168.db2.gz MZJDOOCKNDWTMY-CYBMUJFWSA-N -1 1 384.488 1.910 20 0 GDADMM COc1ccc([C@H](CNc2ccc(-c3nnn[n-]3)nn2)N2CCOCC2)cc1 ZINC000826189229 607987780 /nfs/dbraw/zinc/98/77/80/607987780.db2.gz QLNSRFQYPFSAJJ-INIZCTEOSA-N -1 1 382.428 1.151 20 0 GDADMM COc1ccc([C@H](CNc2ccc(-c3nn[n-]n3)nn2)N2CCOCC2)cc1 ZINC000826189229 607987781 /nfs/dbraw/zinc/98/77/81/607987781.db2.gz QLNSRFQYPFSAJJ-INIZCTEOSA-N -1 1 382.428 1.151 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(CNc3ccc(-c4nnn[n-]4)nn3)cc2)C[C@@H](C)O1 ZINC000824975309 607989790 /nfs/dbraw/zinc/98/97/90/607989790.db2.gz JLCBSPJOWKWOGH-CHWSQXEVSA-N -1 1 394.439 1.518 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(CNc3ccc(-c4nn[n-]n4)nn3)cc2)C[C@@H](C)O1 ZINC000824975309 607989791 /nfs/dbraw/zinc/98/97/91/607989791.db2.gz JLCBSPJOWKWOGH-CHWSQXEVSA-N -1 1 394.439 1.518 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)NCCC[C@H](C)CO)c1-c1nn[n-]n1 ZINC000826231304 608006047 /nfs/dbraw/zinc/00/60/47/608006047.db2.gz GGTUXTUUCKDXAC-JTQLQIEISA-N -1 1 376.486 1.999 20 0 GDADMM O=S(=O)(NC[C@@H](O)c1ccc(Cl)c(F)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826489401 608098206 /nfs/dbraw/zinc/09/82/06/608098206.db2.gz ORFHRMSSRYOQQU-CYBMUJFWSA-N -1 1 398.807 1.066 20 0 GDADMM O=S(=O)(NC[C@@H](O)c1ccc(Cl)c(F)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826489401 608098207 /nfs/dbraw/zinc/09/82/07/608098207.db2.gz ORFHRMSSRYOQQU-CYBMUJFWSA-N -1 1 398.807 1.066 20 0 GDADMM C[C@]1(NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCO[C@@H]1C1CC1 ZINC000824838241 608127919 /nfs/dbraw/zinc/12/79/19/608127919.db2.gz NNEDXXNESHMKPO-HIFRSBDPSA-N -1 1 383.861 1.756 20 0 GDADMM C[C@]1(NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCO[C@@H]1C1CC1 ZINC000824838241 608127920 /nfs/dbraw/zinc/12/79/20/608127920.db2.gz NNEDXXNESHMKPO-HIFRSBDPSA-N -1 1 383.861 1.756 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NC[C@H]2CCCCS2)n1 ZINC000824147218 608141640 /nfs/dbraw/zinc/14/16/40/608141640.db2.gz AVWMLATWASGJOH-SNVBAGLBSA-N -1 1 392.489 1.159 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NC[C@H]2CCCCS2)n1 ZINC000824147218 608141641 /nfs/dbraw/zinc/14/16/41/608141641.db2.gz AVWMLATWASGJOH-SNVBAGLBSA-N -1 1 392.489 1.159 20 0 GDADMM Cc1oc(NC(=O)[C@H](C)N(C)CC(C)(C)S(C)(=O)=O)c(-c2nn[n-]n2)c1C ZINC000826340718 608169422 /nfs/dbraw/zinc/16/94/22/608169422.db2.gz IIQFUYIKSPWUJP-JTQLQIEISA-N -1 1 398.489 1.159 20 0 GDADMM CC(C)(C)OC(=O)CCCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824098838 608305102 /nfs/dbraw/zinc/30/51/02/608305102.db2.gz AXFHZIMTXONNTP-UHFFFAOYSA-N -1 1 382.446 1.052 20 0 GDADMM CC(C)(C)OC(=O)CCCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824098838 608305104 /nfs/dbraw/zinc/30/51/04/608305104.db2.gz AXFHZIMTXONNTP-UHFFFAOYSA-N -1 1 382.446 1.052 20 0 GDADMM C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000824487728 608316461 /nfs/dbraw/zinc/31/64/61/608316461.db2.gz CEUUVGZEFGNQFZ-NXEZZACHSA-N -1 1 394.361 1.785 20 0 GDADMM C[C@H]1CCCC[C@@H]1N(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824938834 608341601 /nfs/dbraw/zinc/34/16/01/608341601.db2.gz WHHGHFLQDKHYSS-AAEUAGOBSA-N -1 1 388.476 1.794 20 0 GDADMM C[C@H]1CCCC[C@@H]1N(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824938834 608341603 /nfs/dbraw/zinc/34/16/03/608341603.db2.gz WHHGHFLQDKHYSS-AAEUAGOBSA-N -1 1 388.476 1.794 20 0 GDADMM O=S(=O)(Cc1cc(-c2nn[nH]n2)ccc1F)[N-][C@H]1CCCCC12OCCO2 ZINC000826486311 608341629 /nfs/dbraw/zinc/34/16/29/608341629.db2.gz XSKQUUPITBGDDL-AWEZNQCLSA-N -1 1 397.432 1.111 20 0 GDADMM CN(C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)C1CCCCCC1 ZINC000825812998 608342670 /nfs/dbraw/zinc/34/26/70/608342670.db2.gz ZWOOKCWZLVTPNY-UHFFFAOYSA-N -1 1 388.476 1.938 20 0 GDADMM CN(C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)C1CCCCCC1 ZINC000825812998 608342672 /nfs/dbraw/zinc/34/26/72/608342672.db2.gz ZWOOKCWZLVTPNY-UHFFFAOYSA-N -1 1 388.476 1.938 20 0 GDADMM Cc1cccc(CN(C)C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)c1 ZINC000826297405 608347971 /nfs/dbraw/zinc/34/79/71/608347971.db2.gz GRDMYZKHMYDQAV-UHFFFAOYSA-N -1 1 396.455 1.724 20 0 GDADMM Cc1cccc(CN(C)C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)c1 ZINC000826297405 608347973 /nfs/dbraw/zinc/34/79/73/608347973.db2.gz GRDMYZKHMYDQAV-UHFFFAOYSA-N -1 1 396.455 1.724 20 0 GDADMM COCCN1C[C@H](C(=O)Nc2cc(C(C)(C)C)sc2-c2nnn[n-]2)CC1=O ZINC000826159601 608350309 /nfs/dbraw/zinc/35/03/09/608350309.db2.gz LCOFVNOBPTZKNR-SNVBAGLBSA-N -1 1 392.485 1.659 20 0 GDADMM COCCN1C[C@H](C(=O)Nc2cc(C(C)(C)C)sc2-c2nn[n-]n2)CC1=O ZINC000826159601 608350311 /nfs/dbraw/zinc/35/03/11/608350311.db2.gz LCOFVNOBPTZKNR-SNVBAGLBSA-N -1 1 392.485 1.659 20 0 GDADMM C[C@H](c1cccnc1)N(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824773173 608351235 /nfs/dbraw/zinc/35/12/35/608351235.db2.gz ZEYWPHQKMBTEDV-LLVKDONJSA-N -1 1 397.443 1.371 20 0 GDADMM C[C@H](c1cccnc1)N(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824773173 608351237 /nfs/dbraw/zinc/35/12/37/608351237.db2.gz ZEYWPHQKMBTEDV-LLVKDONJSA-N -1 1 397.443 1.371 20 0 GDADMM CCN(CC)S(=O)(=O)c1ccc(CNc2ccc(-c3nnn[n-]3)nn2)s1 ZINC000825416610 608393516 /nfs/dbraw/zinc/39/35/16/608393516.db2.gz LAVKLCDYIOFTCY-UHFFFAOYSA-N -1 1 394.486 1.361 20 0 GDADMM CCN(CC)S(=O)(=O)c1ccc(CNc2ccc(-c3nn[n-]n3)nn2)s1 ZINC000825416610 608393518 /nfs/dbraw/zinc/39/35/18/608393518.db2.gz LAVKLCDYIOFTCY-UHFFFAOYSA-N -1 1 394.486 1.361 20 0 GDADMM CCc1nc(N)nc(SCc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)n1 ZINC000825750092 608413903 /nfs/dbraw/zinc/41/39/03/608413903.db2.gz LWKCSLYPOBTXHI-UHFFFAOYSA-N -1 1 394.468 1.983 20 0 GDADMM O=C1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000826477975 608418724 /nfs/dbraw/zinc/41/87/24/608418724.db2.gz QOJXCTDUNHAKDO-LBPRGKRZSA-N -1 1 390.329 1.893 20 0 GDADMM O=C1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000826477975 608418725 /nfs/dbraw/zinc/41/87/25/608418725.db2.gz QOJXCTDUNHAKDO-LBPRGKRZSA-N -1 1 390.329 1.893 20 0 GDADMM CCN1CCOC[C@@H]1C(=O)OCc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000825466229 608456828 /nfs/dbraw/zinc/45/68/28/608456828.db2.gz XJZGDMMTGLIBCD-MRXNPFEDSA-N -1 1 397.439 1.125 20 0 GDADMM C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(Cc3ccc(-c4nnn[n-]4)o3)CC2)C1 ZINC000824877445 608505880 /nfs/dbraw/zinc/50/58/80/608505880.db2.gz YHZAJYUDDAUNPP-GASCZTMLSA-N -1 1 387.488 1.082 20 0 GDADMM C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(Cc3ccc(-c4nn[n-]n4)o3)CC2)C1 ZINC000824877445 608505882 /nfs/dbraw/zinc/50/58/82/608505882.db2.gz YHZAJYUDDAUNPP-GASCZTMLSA-N -1 1 387.488 1.082 20 0 GDADMM CO[C@@H]1CCC[C@@H]1CNC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000826146371 608547316 /nfs/dbraw/zinc/54/73/16/608547316.db2.gz UPWNXASLKPYSAG-CZUORRHYSA-N -1 1 398.471 1.390 20 0 GDADMM CO[C@@H]1CCC[C@@H]1CNC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000826146371 608547317 /nfs/dbraw/zinc/54/73/17/608547317.db2.gz UPWNXASLKPYSAG-CZUORRHYSA-N -1 1 398.471 1.390 20 0 GDADMM Cc1cc(N(C)C)ccc1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826268531 608548966 /nfs/dbraw/zinc/54/89/66/608548966.db2.gz BMFDGWGYVKRICC-UHFFFAOYSA-N -1 1 398.475 1.643 20 0 GDADMM Cc1cc(N(C)C)ccc1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826268531 608548968 /nfs/dbraw/zinc/54/89/68/608548968.db2.gz BMFDGWGYVKRICC-UHFFFAOYSA-N -1 1 398.475 1.643 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@H]1CCN(C)c2ccccc21 ZINC000825923294 608555034 /nfs/dbraw/zinc/55/50/34/608555034.db2.gz FTYXFUBZBRTLSM-ZDUSSCGKSA-N -1 1 395.471 1.187 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@H]1CCN(C)c2ccccc21 ZINC000825923294 608555036 /nfs/dbraw/zinc/55/50/36/608555036.db2.gz FTYXFUBZBRTLSM-ZDUSSCGKSA-N -1 1 395.471 1.187 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccccc1OC1CCC1 ZINC000825934716 608558833 /nfs/dbraw/zinc/55/88/33/608558833.db2.gz QMIKOTCKFBEILL-UHFFFAOYSA-N -1 1 396.455 1.808 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccccc1OC1CCC1 ZINC000825934716 608558835 /nfs/dbraw/zinc/55/88/35/608558835.db2.gz QMIKOTCKFBEILL-UHFFFAOYSA-N -1 1 396.455 1.808 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C(C)(C)Cc1ccccc1 ZINC000825923654 608559404 /nfs/dbraw/zinc/55/94/04/608559404.db2.gz QCWNOWVPMGJHFQ-UHFFFAOYSA-N -1 1 382.472 1.832 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C(C)(C)Cc1ccccc1 ZINC000825923654 608559405 /nfs/dbraw/zinc/55/94/05/608559405.db2.gz QCWNOWVPMGJHFQ-UHFFFAOYSA-N -1 1 382.472 1.832 20 0 GDADMM COc1ccccc1C1(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CC1 ZINC000826218810 608561105 /nfs/dbraw/zinc/56/11/05/608561105.db2.gz LGXAPLJDTOFZDY-UHFFFAOYSA-N -1 1 396.455 1.303 20 0 GDADMM COc1ccccc1C1(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CC1 ZINC000826218810 608561107 /nfs/dbraw/zinc/56/11/07/608561107.db2.gz LGXAPLJDTOFZDY-UHFFFAOYSA-N -1 1 396.455 1.303 20 0 GDADMM O=S(=O)(NC1(CO)CCC1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826487653 608567264 /nfs/dbraw/zinc/56/72/64/608567264.db2.gz VYGVPBJYGCJUQI-UHFFFAOYSA-N -1 1 377.348 1.079 20 0 GDADMM c1ccc2[nH]c(CN3CCN(c4oc(C5CC5)nc4-c4nn[n-]n4)CC3)nc2c1 ZINC000826522996 608591217 /nfs/dbraw/zinc/59/12/17/608591217.db2.gz WLTJKDNXAYQYEC-UHFFFAOYSA-N -1 1 391.439 1.931 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1cccc2c1ccn2C ZINC000825930169 609156721 /nfs/dbraw/zinc/15/67/21/609156721.db2.gz QSYWDZBRLLSAHJ-UHFFFAOYSA-N -1 1 394.443 1.760 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1cccc2c1ccn2C ZINC000825930169 609156723 /nfs/dbraw/zinc/15/67/23/609156723.db2.gz QSYWDZBRLLSAHJ-UHFFFAOYSA-N -1 1 394.443 1.760 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000825929999 609156905 /nfs/dbraw/zinc/15/69/05/609156905.db2.gz NWPZTGCGFHGPRU-UHFFFAOYSA-N -1 1 397.443 1.594 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000825929999 609156906 /nfs/dbraw/zinc/15/69/06/609156906.db2.gz NWPZTGCGFHGPRU-UHFFFAOYSA-N -1 1 397.443 1.594 20 0 GDADMM CCC[C@H]1C[C@@H](C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CCO1 ZINC000825253178 609257059 /nfs/dbraw/zinc/25/70/59/609257059.db2.gz MKSZMASXCJZQGJ-RYUDHWBXSA-N -1 1 376.465 1.158 20 0 GDADMM CCC[C@H]1C[C@@H](C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CCO1 ZINC000825253178 609257060 /nfs/dbraw/zinc/25/70/60/609257060.db2.gz MKSZMASXCJZQGJ-RYUDHWBXSA-N -1 1 376.465 1.158 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)Nc2cnn(-c3ccccc3)n2)cc1-c1nn[n-]n1 ZINC000826229652 609267766 /nfs/dbraw/zinc/26/77/66/609267766.db2.gz MBGSDJCEXYSEDK-UHFFFAOYSA-N -1 1 395.408 1.522 20 0 GDADMM Cc1cc(NC(=O)CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)on1 ZINC000826270124 609281441 /nfs/dbraw/zinc/28/14/41/609281441.db2.gz LYZZCQXGFBAVCU-UHFFFAOYSA-N -1 1 383.347 1.539 20 0 GDADMM Cc1ncc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)c(C)n1 ZINC000826329444 609287875 /nfs/dbraw/zinc/28/78/75/609287875.db2.gz DHWAKXCCOWLQCV-UHFFFAOYSA-N -1 1 379.359 1.851 20 0 GDADMM O=C(CN1CCCCC1=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826410421 609291174 /nfs/dbraw/zinc/29/11/74/609291174.db2.gz MQHGXJHRPRICGB-UHFFFAOYSA-N -1 1 384.375 1.143 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@H]1C[C@H]1c1cccc(F)c1 ZINC000825929271 609300662 /nfs/dbraw/zinc/30/06/62/609300662.db2.gz DYRZEBSPPAIYQQ-JSGCOSHPSA-N -1 1 399.434 1.441 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@H]1C[C@H]1c1cccc(F)c1 ZINC000825929271 609300664 /nfs/dbraw/zinc/30/06/64/609300664.db2.gz DYRZEBSPPAIYQQ-JSGCOSHPSA-N -1 1 399.434 1.441 20 0 GDADMM Cc1ccsc1CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826316444 609301709 /nfs/dbraw/zinc/30/17/09/609301709.db2.gz OIRFPLMHLZJYPV-UHFFFAOYSA-N -1 1 375.462 1.316 20 0 GDADMM Cc1ccsc1CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826316444 609301710 /nfs/dbraw/zinc/30/17/10/609301710.db2.gz OIRFPLMHLZJYPV-UHFFFAOYSA-N -1 1 375.462 1.316 20 0 GDADMM C[C@H]1C[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C[C@@H](C)C1 ZINC000824874307 609302288 /nfs/dbraw/zinc/30/22/88/609302288.db2.gz BXJZTKDRLCPDBP-GDNZZTSVSA-N -1 1 375.481 1.571 20 0 GDADMM C[C@H]1C[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C[C@@H](C)C1 ZINC000824874307 609302289 /nfs/dbraw/zinc/30/22/89/609302289.db2.gz BXJZTKDRLCPDBP-GDNZZTSVSA-N -1 1 375.481 1.571 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NC[C@@H]1CCc2ccccc21 ZINC000825930680 609303004 /nfs/dbraw/zinc/30/30/04/609303004.db2.gz WHJCXCRIWNCLJV-ZDUSSCGKSA-N -1 1 395.471 1.476 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NC[C@@H]1CCc2ccccc21 ZINC000825930680 609303006 /nfs/dbraw/zinc/30/30/06/609303006.db2.gz WHJCXCRIWNCLJV-ZDUSSCGKSA-N -1 1 395.471 1.476 20 0 GDADMM Cc1cccc([C@H](C)CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000826295978 609304340 /nfs/dbraw/zinc/30/43/40/609304340.db2.gz FUIUMXKBUSRTBI-CYBMUJFWSA-N -1 1 397.487 1.858 20 0 GDADMM Cc1cccc([C@H](C)CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000826295978 609304342 /nfs/dbraw/zinc/30/43/42/609304342.db2.gz FUIUMXKBUSRTBI-CYBMUJFWSA-N -1 1 397.487 1.858 20 0 GDADMM Cc1ccc2c(c1)[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)CO2 ZINC000826294705 609310579 /nfs/dbraw/zinc/31/05/79/609310579.db2.gz ZJYFKDWKDRMZFW-CYBMUJFWSA-N -1 1 397.443 1.188 20 0 GDADMM Cc1ccc2c(c1)[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)CO2 ZINC000826294705 609310580 /nfs/dbraw/zinc/31/05/80/609310580.db2.gz ZJYFKDWKDRMZFW-CYBMUJFWSA-N -1 1 397.443 1.188 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@@H](F)Cc1ccccc1 ZINC000825001296 609329014 /nfs/dbraw/zinc/32/90/14/609329014.db2.gz YSEHRBJORQARCG-ZFWWWQNUSA-N -1 1 396.430 1.275 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@@H](F)Cc1ccccc1 ZINC000825001296 609329016 /nfs/dbraw/zinc/32/90/16/609329016.db2.gz YSEHRBJORQARCG-ZFWWWQNUSA-N -1 1 396.430 1.275 20 0 GDADMM C[C@@H](CO)CCCNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824435759 609358239 /nfs/dbraw/zinc/35/82/39/609358239.db2.gz PGMZZBRAKQIALH-LLVKDONJSA-N -1 1 388.407 1.722 20 0 GDADMM CC1(O)CCN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CC1 ZINC000824843670 609358321 /nfs/dbraw/zinc/35/83/21/609358321.db2.gz JCUPIBTXFQNMCE-UHFFFAOYSA-N -1 1 386.391 1.570 20 0 GDADMM CC1(C)CN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CCO1 ZINC000824808418 609358370 /nfs/dbraw/zinc/35/83/70/609358370.db2.gz RHPAYHADLLPOAR-UHFFFAOYSA-N -1 1 386.391 1.834 20 0 GDADMM C[S@](=O)CCCNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826225006 609361755 /nfs/dbraw/zinc/36/17/55/609361755.db2.gz QZVPUTCFOJDOMN-MHZLTWQESA-N -1 1 392.420 1.082 20 0 GDADMM O=C(NCC[C@H]1CCCO1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826436081 609362678 /nfs/dbraw/zinc/36/26/78/609362678.db2.gz HJJGZKAECJYJMW-LLVKDONJSA-N -1 1 386.391 1.882 20 0 GDADMM C[C@H]1CCOCCN1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824961830 609362970 /nfs/dbraw/zinc/36/29/70/609362970.db2.gz JLYYKWUJYRHKNA-NSHDSACASA-N -1 1 386.391 1.834 20 0 GDADMM Cc1nc2cc(NC(=O)NCCCc3[nH]nc(N)c3-c3nnn[n-]3)ccc2s1 ZINC000826327931 609367026 /nfs/dbraw/zinc/36/70/26/609367026.db2.gz AAKLENOJAGWHLE-UHFFFAOYSA-N -1 1 398.456 1.844 20 0 GDADMM Cc1nc2cc(NC(=O)NCCCc3[nH]nc(N)c3-c3nn[n-]n3)ccc2s1 ZINC000826327931 609367028 /nfs/dbraw/zinc/36/70/28/609367028.db2.gz AAKLENOJAGWHLE-UHFFFAOYSA-N -1 1 398.456 1.844 20 0 GDADMM C[C@@H]1CCN(CC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)C[C@H]1F ZINC000824954497 609373807 /nfs/dbraw/zinc/37/38/07/609373807.db2.gz KNWALAXUGLLVSR-IUODEOHRSA-N -1 1 384.419 1.671 20 0 GDADMM C[C@@H]1CCN(CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)C[C@H]1F ZINC000824954497 609373810 /nfs/dbraw/zinc/37/38/10/609373810.db2.gz KNWALAXUGLLVSR-IUODEOHRSA-N -1 1 384.419 1.671 20 0 GDADMM Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000826334521 609405164 /nfs/dbraw/zinc/40/51/64/609405164.db2.gz YNGDISJAXILDPX-ZCFIWIBFSA-N -1 1 383.338 1.465 20 0 GDADMM Cn1cc(C(=O)C[C@@H]2CCCN2c2snc(Cl)c2-c2nnn[n-]2)cn1 ZINC000826358567 609428878 /nfs/dbraw/zinc/42/88/78/609428878.db2.gz YUVOTYVNGFLMJE-VIFPVBQESA-N -1 1 378.849 1.952 20 0 GDADMM Cn1cc(C(=O)C[C@@H]2CCCN2c2snc(Cl)c2-c2nn[n-]n2)cn1 ZINC000826358567 609428885 /nfs/dbraw/zinc/42/88/85/609428885.db2.gz YUVOTYVNGFLMJE-VIFPVBQESA-N -1 1 378.849 1.952 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H](O)[C@H](O)c1nc2ccccc2s1 ZINC000826450897 609467544 /nfs/dbraw/zinc/46/75/44/609467544.db2.gz IGDUDBMGUBRAOS-KGLIPLIRSA-N -1 1 398.404 1.215 20 0 GDADMM COc1ccc(OS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1C(C)=O ZINC000826211487 609582888 /nfs/dbraw/zinc/58/28/88/609582888.db2.gz GXZBWQUHBZAGIX-UHFFFAOYSA-N -1 1 392.368 1.985 20 0 GDADMM COc1ccc(OS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1C(C)=O ZINC000826211487 609582890 /nfs/dbraw/zinc/58/28/90/609582890.db2.gz GXZBWQUHBZAGIX-UHFFFAOYSA-N -1 1 392.368 1.985 20 0 GDADMM C[C@H]1CC[C@H](C(F)(F)F)CN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824908865 609586732 /nfs/dbraw/zinc/58/67/32/609586732.db2.gz RCTRUIRAQHMBAX-IUCAKERBSA-N -1 1 376.364 1.613 20 0 GDADMM C[C@H]1CC[C@H](C(F)(F)F)CN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824908865 609586735 /nfs/dbraw/zinc/58/67/35/609586735.db2.gz RCTRUIRAQHMBAX-IUCAKERBSA-N -1 1 376.364 1.613 20 0 GDADMM O=C(N[C@@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826430189 609601063 /nfs/dbraw/zinc/60/10/63/609601063.db2.gz WCXYPXVMMNEVQX-GFCCVEGCSA-N -1 1 383.437 1.244 20 0 GDADMM O=C(N[C@@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826430189 609601064 /nfs/dbraw/zinc/60/10/64/609601064.db2.gz WCXYPXVMMNEVQX-GFCCVEGCSA-N -1 1 383.437 1.244 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC000824109122 609602196 /nfs/dbraw/zinc/60/21/96/609602196.db2.gz NPUQXDNDTVJDGI-JHJVBQTASA-N -1 1 386.460 1.786 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC000824109122 609602198 /nfs/dbraw/zinc/60/21/98/609602198.db2.gz NPUQXDNDTVJDGI-JHJVBQTASA-N -1 1 386.460 1.786 20 0 GDADMM C[C@H]1OCC[C@@]1(C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825012403 609611881 /nfs/dbraw/zinc/61/18/81/609611881.db2.gz IMLHNWWYJSZKJG-AMIZOPFISA-N -1 1 391.375 1.731 20 0 GDADMM CC[C@@H]1C[C@H](C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CCO1 ZINC000825184577 609624517 /nfs/dbraw/zinc/62/45/17/609624517.db2.gz WIOKFRMWSQMVRM-VXGBXAGGSA-N -1 1 377.401 1.763 20 0 GDADMM Cc1cc(N2C[C@H](C(=O)OCc3ccnc(-c4nnn[n-]4)c3)CC2=O)ccc1F ZINC000826269561 609625709 /nfs/dbraw/zinc/62/57/09/609625709.db2.gz PNGOXDJECQHHEY-CYBMUJFWSA-N -1 1 396.382 1.806 20 0 GDADMM Cc1cc(N2C[C@H](C(=O)OCc3ccnc(-c4nn[n-]n4)c3)CC2=O)ccc1F ZINC000826269561 609625711 /nfs/dbraw/zinc/62/57/11/609625711.db2.gz PNGOXDJECQHHEY-CYBMUJFWSA-N -1 1 396.382 1.806 20 0 GDADMM 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GDADMM O=C([O-])[C@@H](NC(=O)NCCN1CCCOCC1)c1cccc(C(F)(F)F)c1 ZINC000909109348 939382285 /nfs/dbraw/zinc/38/22/85/939382285.db2.gz DLVWESDCMKANNG-AWEZNQCLSA-N -1 1 389.374 1.853 20 0 GDADMM COc1ccc([C@H](NC(=O)N[C@@H]2CCCN3CCSC[C@@H]23)C(=O)[O-])cc1F ZINC000929065091 939809062 /nfs/dbraw/zinc/80/90/62/939809062.db2.gz RSJUJXWBVVLPIC-YCPHGPKFSA-N -1 1 397.472 1.839 20 0 GDADMM CC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000819782977 945289143 /nfs/dbraw/zinc/28/91/43/945289143.db2.gz RPNXLDZPKIZMLJ-ZDUSSCGKSA-N -1 1 399.432 1.402 20 0 GDADMM CC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819782977 945289150 /nfs/dbraw/zinc/28/91/50/945289150.db2.gz RPNXLDZPKIZMLJ-ZDUSSCGKSA-N -1 1 399.432 1.402 20 0 GDADMM O=C([O-])CCc1cccc(NC(=O)NC[C@@]2(CO)COC[C@@H]3CCCN32)c1 ZINC001602043144 971127541 /nfs/dbraw/zinc/12/75/41/971127541.db2.gz QXCZYUKVVOVIKX-QFBILLFUSA-N -1 1 377.441 1.051 20 0 GDADMM CC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)Cc2cncs2)CC1 ZINC001571261114 945422122 /nfs/dbraw/zinc/42/21/22/945422122.db2.gz AHTHQHHYUUHJSM-UHFFFAOYSA-N -1 1 385.457 1.149 20 0 GDADMM CC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)Cc2cncs2)CC1 ZINC001571261114 945422132 /nfs/dbraw/zinc/42/21/32/945422132.db2.gz AHTHQHHYUUHJSM-UHFFFAOYSA-N -1 1 385.457 1.149 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)C1CCN(C(=O)c2nccs2)CC1 ZINC001571261360 945424942 /nfs/dbraw/zinc/42/49/42/945424942.db2.gz DFMLVFIYXKFZHL-SNVBAGLBSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)C1CCN(C(=O)c2nccs2)CC1 ZINC001571261360 945424945 /nfs/dbraw/zinc/42/49/45/945424945.db2.gz DFMLVFIYXKFZHL-SNVBAGLBSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CCCCN1C(=O)c1cncs1 ZINC001571261828 945431057 /nfs/dbraw/zinc/43/10/57/945431057.db2.gz JTLOTMGEHXCPBO-GHMZBOCLSA-N -1 1 385.457 1.030 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccns2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571261882 945433448 /nfs/dbraw/zinc/43/34/48/945433448.db2.gz LKVSWROFKWAKIK-GHMZBOCLSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccns2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571261882 945433452 /nfs/dbraw/zinc/43/34/52/945433452.db2.gz LKVSWROFKWAKIK-GHMZBOCLSA-N -1 1 385.457 1.466 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)CCc3nccs3)C2)n1 ZINC001571262176 945434770 /nfs/dbraw/zinc/43/47/70/945434770.db2.gz NOROQOQKQYDAFW-LLVKDONJSA-N -1 1 385.457 1.067 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)CCc3nccs3)C2)n1 ZINC001571262176 945434774 /nfs/dbraw/zinc/43/47/74/945434774.db2.gz NOROQOQKQYDAFW-LLVKDONJSA-N -1 1 385.457 1.067 20 0 GDADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CCN(C(=O)c2ccsn2)CC1 ZINC001571262838 945444307 /nfs/dbraw/zinc/44/43/07/945444307.db2.gz ZVCWRKSKTRHSAH-JTQLQIEISA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CCN(C(=O)c2ccsn2)CC1 ZINC001571262838 945444318 /nfs/dbraw/zinc/44/43/18/945444318.db2.gz ZVCWRKSKTRHSAH-JTQLQIEISA-N -1 1 385.457 1.466 20 0 GDADMM O=C(Cc1cscn1)N1CC[C@@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571262949 945445300 /nfs/dbraw/zinc/44/53/00/945445300.db2.gz CVNSEZJSKAPMAJ-LLVKDONJSA-N -1 1 385.457 1.006 20 0 GDADMM O=C(Cc1cscn1)N1CC[C@@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571262949 945445303 /nfs/dbraw/zinc/44/53/03/945445303.db2.gz CVNSEZJSKAPMAJ-LLVKDONJSA-N -1 1 385.457 1.006 20 0 GDADMM Cc1ncsc1C(=O)N[C@H]1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571262995 945448027 /nfs/dbraw/zinc/44/80/27/945448027.db2.gz DZYGKALOLLLOKH-QWRGUYRKSA-N -1 1 385.457 1.432 20 0 GDADMM Cc1ncsc1C(=O)N[C@H]1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571262995 945448029 /nfs/dbraw/zinc/44/80/29/945448029.db2.gz DZYGKALOLLLOKH-QWRGUYRKSA-N -1 1 385.457 1.432 20 0 GDADMM Cc1cc(C(=O)NC[C@@H]2CCCCN2c2cnc(-c3nnn[n-]3)cn2)ns1 ZINC001571263106 945449561 /nfs/dbraw/zinc/44/95/61/945449561.db2.gz HNQVECANYRUQGV-NSHDSACASA-N -1 1 385.457 1.211 20 0 GDADMM Cc1cc(C(=O)NC[C@@H]2CCCCN2c2cnc(-c3nn[n-]n3)cn2)ns1 ZINC001571263106 945449568 /nfs/dbraw/zinc/44/95/68/945449568.db2.gz HNQVECANYRUQGV-NSHDSACASA-N -1 1 385.457 1.211 20 0 GDADMM Cc1nc(C(=O)N2CCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)sc1C ZINC001571263242 945453252 /nfs/dbraw/zinc/45/32/52/945453252.db2.gz KVLSRVSKCJIUBJ-LLVKDONJSA-N -1 1 385.457 1.447 20 0 GDADMM Cc1nc(C(=O)N2CCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)sc1C ZINC001571263242 945453257 /nfs/dbraw/zinc/45/32/57/945453257.db2.gz KVLSRVSKCJIUBJ-LLVKDONJSA-N -1 1 385.457 1.447 20 0 GDADMM Cc1nsc(N2CC[C@@H](NC(=O)c3ccnnc3)C[C@@H]2C)c1-c1nn[n-]n1 ZINC001571263240 945453771 /nfs/dbraw/zinc/45/37/71/945453771.db2.gz KOSNQPUSMDWBKX-JOYOIKCWSA-N -1 1 385.457 1.209 20 0 GDADMM Cc1nscc1C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001571263407 945457038 /nfs/dbraw/zinc/45/70/38/945457038.db2.gz PDVAUFGSTFEYAD-BXKDBHETSA-N -1 1 385.457 1.384 20 0 GDADMM Cc1nscc1C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001571263407 945457049 /nfs/dbraw/zinc/45/70/49/945457049.db2.gz PDVAUFGSTFEYAD-BXKDBHETSA-N -1 1 385.457 1.384 20 0 GDADMM O=C(CCc1nccs1)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571263504 945460159 /nfs/dbraw/zinc/46/01/59/945460159.db2.gz RSSLUVMZXQZRIQ-NSHDSACASA-N -1 1 385.457 1.149 20 0 GDADMM O=C(CCc1nccs1)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571263504 945460162 /nfs/dbraw/zinc/46/01/62/945460162.db2.gz RSSLUVMZXQZRIQ-NSHDSACASA-N -1 1 385.457 1.149 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)c1ccncc1Cl ZINC001571264929 945495846 /nfs/dbraw/zinc/49/58/46/945495846.db2.gz AWZIXVVSZOIQFU-MGCOHNPYSA-N -1 1 385.819 1.326 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)c1ccncc1Cl ZINC001571264929 945495852 /nfs/dbraw/zinc/49/58/52/945495852.db2.gz AWZIXVVSZOIQFU-MGCOHNPYSA-N -1 1 385.819 1.326 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccncc1Cl ZINC001571265368 945509109 /nfs/dbraw/zinc/50/91/09/945509109.db2.gz IKLFJNBDKAWELM-SNVBAGLBSA-N -1 1 385.819 1.104 20 0 GDADMM CN(C[C@H]1COc2ccccc2O1)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001571268126 945588463 /nfs/dbraw/zinc/58/84/63/945588463.db2.gz ARMBKXIYJBEHLW-NSHDSACASA-N -1 1 386.437 1.910 20 0 GDADMM COc1ccsc1C(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571270231 945633174 /nfs/dbraw/zinc/63/31/74/945633174.db2.gz NXZIZZVXMLPCKW-SNVBAGLBSA-N -1 1 386.441 1.078 20 0 GDADMM CCn1nc(C)cc1C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001571271887 945652292 /nfs/dbraw/zinc/65/22/92/945652292.db2.gz LWXPMVCBZFDCOZ-UHFFFAOYSA-N -1 1 386.485 1.411 20 0 GDADMM O=C(CC[C@@H]1CCOC1)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571272191 945656737 /nfs/dbraw/zinc/65/67/37/945656737.db2.gz ATVMBDRZDWFFRM-ZIAGYGMSSA-N -1 1 386.460 1.266 20 0 GDADMM O=C(CC[C@@H]1CCOC1)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571272191 945656741 /nfs/dbraw/zinc/65/67/41/945656741.db2.gz ATVMBDRZDWFFRM-ZIAGYGMSSA-N -1 1 386.460 1.266 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)CC3CCOCC3)C2)cc(-c2nnn[n-]2)n1 ZINC001571272204 945657961 /nfs/dbraw/zinc/65/79/61/945657961.db2.gz AZRFZJULTRJGIU-CYBMUJFWSA-N -1 1 386.460 1.049 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)CC3CCOCC3)C2)cc(-c2nn[n-]n2)n1 ZINC001571272204 945657968 /nfs/dbraw/zinc/65/79/68/945657968.db2.gz AZRFZJULTRJGIU-CYBMUJFWSA-N -1 1 386.460 1.049 20 0 GDADMM Cc1ccc(C(=O)N(C)[C@H]2CCN(c3snc(C)c3-c3nn[n-]n3)C2)n1C ZINC001571272520 945665376 /nfs/dbraw/zinc/66/53/76/945665376.db2.gz VJSBHUJLAIWYMM-LBPRGKRZSA-N -1 1 386.485 1.629 20 0 GDADMM COC1CCC(C(=O)N2CC[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001571272599 945667613 /nfs/dbraw/zinc/66/76/13/945667613.db2.gz FWDFBRNABOFXCH-HSBZDZAISA-N -1 1 386.460 1.122 20 0 GDADMM COC1CCC(C(=O)N2CC[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571272599 945667618 /nfs/dbraw/zinc/66/76/18/945667618.db2.gz FWDFBRNABOFXCH-HSBZDZAISA-N -1 1 386.460 1.122 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@@H](NC(=O)C[C@H]3CC(C)(C)CO3)C2)n1 ZINC001571272902 945673721 /nfs/dbraw/zinc/67/37/21/945673721.db2.gz KMKMUFZAXREPHC-XQQFMLRXSA-N -1 1 386.460 1.229 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@@H](NC(=O)C[C@H]3CC(C)(C)CO3)C2)n1 ZINC001571272902 945673724 /nfs/dbraw/zinc/67/37/24/945673724.db2.gz KMKMUFZAXREPHC-XQQFMLRXSA-N -1 1 386.460 1.229 20 0 GDADMM C[C@@H]1CN(C(=O)C[C@@H]2CCCCO2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571273474 945688241 /nfs/dbraw/zinc/68/82/41/945688241.db2.gz YARPIGRESRNPKC-MCIONIFRSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H]1CN(C(=O)C[C@@H]2CCCCO2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571273474 945688250 /nfs/dbraw/zinc/68/82/50/945688250.db2.gz YARPIGRESRNPKC-MCIONIFRSA-N -1 1 386.460 1.122 20 0 GDADMM CN(C(=O)C[C@H]1CCOC1)C1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571273528 945690936 /nfs/dbraw/zinc/69/09/36/945690936.db2.gz ZESQZDUDOBMICF-IYXRBSQSSA-N -1 1 386.460 1.265 20 0 GDADMM CN(C(=O)C[C@H]1CCOC1)C1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571273528 945690941 /nfs/dbraw/zinc/69/09/41/945690941.db2.gz ZESQZDUDOBMICF-IYXRBSQSSA-N -1 1 386.460 1.265 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@@H](NC(=O)c3ncc(F)cc3F)C2)n1 ZINC001571275158 945704994 /nfs/dbraw/zinc/70/49/94/945704994.db2.gz RGHIECCPKBKQPD-AOOOYVTPSA-N -1 1 387.354 1.011 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@@H](NC(=O)c3ncc(F)cc3F)C2)n1 ZINC001571275158 945704997 /nfs/dbraw/zinc/70/49/97/945704997.db2.gz RGHIECCPKBKQPD-AOOOYVTPSA-N -1 1 387.354 1.011 20 0 GDADMM CCc1ccc(N2C[C@H](C(=O)Nc3ncc(-c4nnn[n-]4)s3)CC2=O)cc1 ZINC000821487119 945707333 /nfs/dbraw/zinc/70/73/33/945707333.db2.gz ROLYRTXRQRTDEK-LLVKDONJSA-N -1 1 383.437 1.877 20 0 GDADMM CCc1ccc(N2C[C@H](C(=O)Nc3ncc(-c4nn[n-]n4)s3)CC2=O)cc1 ZINC000821487119 945707339 /nfs/dbraw/zinc/70/73/39/945707339.db2.gz ROLYRTXRQRTDEK-LLVKDONJSA-N -1 1 383.437 1.877 20 0 GDADMM CCC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)[C@@H]2CCCOC2)CC1 ZINC001571275664 945712316 /nfs/dbraw/zinc/71/23/16/945712316.db2.gz AFZZQDXYIHVPQV-CYBMUJFWSA-N -1 1 386.460 1.266 20 0 GDADMM CCC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)[C@@H]2CCCOC2)CC1 ZINC001571275664 945712321 /nfs/dbraw/zinc/71/23/21/945712321.db2.gz AFZZQDXYIHVPQV-CYBMUJFWSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@]1(C(=O)N2CCC(CCNc3ccc(-c4nnn[n-]4)nn3)CC2)CCOC1 ZINC001571275716 945713395 /nfs/dbraw/zinc/71/33/95/945713395.db2.gz BGFFMGPEWIQMRL-SFHVURJKSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@]1(C(=O)N2CCC(CCNc3ccc(-c4nn[n-]n4)nn3)CC2)CCOC1 ZINC001571275716 945713401 /nfs/dbraw/zinc/71/34/01/945713401.db2.gz BGFFMGPEWIQMRL-SFHVURJKSA-N -1 1 386.460 1.124 20 0 GDADMM CCC1(C(=O)N2CCO[C@@H]([C@H](C)Nc3cncc(-c4nnn[n-]4)n3)C2)CCC1 ZINC001571278475 945753821 /nfs/dbraw/zinc/75/38/21/945753821.db2.gz NXQIQHXBQABPBY-GXTWGEPZSA-N -1 1 386.460 1.265 20 0 GDADMM CCC1(C(=O)N2CCO[C@@H]([C@H](C)Nc3cncc(-c4nn[n-]n4)n3)C2)CCC1 ZINC001571278475 945753825 /nfs/dbraw/zinc/75/38/25/945753825.db2.gz NXQIQHXBQABPBY-GXTWGEPZSA-N -1 1 386.460 1.265 20 0 GDADMM CC1(C)CN(C(=O)[C@@H]2CCCOCC2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571278672 945757186 /nfs/dbraw/zinc/75/71/86/945757186.db2.gz QMYOVXWVCJEPLF-OCCSQVGLSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CN(C(=O)[C@@H]2CCCOCC2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571278672 945757193 /nfs/dbraw/zinc/75/71/93/945757193.db2.gz QMYOVXWVCJEPLF-OCCSQVGLSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)C[C@H]2CCCOC2)CC1 ZINC001571278902 945764512 /nfs/dbraw/zinc/76/45/12/945764512.db2.gz RBTDQPQLBUKTRU-CYBMUJFWSA-N -1 1 386.460 1.266 20 0 GDADMM CC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)C[C@H]2CCCOC2)CC1 ZINC001571278902 945764522 /nfs/dbraw/zinc/76/45/22/945764522.db2.gz RBTDQPQLBUKTRU-CYBMUJFWSA-N -1 1 386.460 1.266 20 0 GDADMM Cc1nsc(N2CCC[C@@H](NC(=O)Cc3ccco3)[C@H]2C)c1-c1nn[n-]n1 ZINC001571281412 945803986 /nfs/dbraw/zinc/80/39/86/945803986.db2.gz IGIOTHZVNMJLJU-DGCLKSJQSA-N -1 1 387.469 1.941 20 0 GDADMM C[C@@]1(CNc2nccnc2-c2nnn[n-]2)CCN(C(=O)c2ccc(Cl)[nH]2)C1 ZINC001571283710 945890888 /nfs/dbraw/zinc/89/08/88/945890888.db2.gz HHSUPQQDZKYOCO-INIZCTEOSA-N -1 1 387.835 1.603 20 0 GDADMM C[C@@]1(CNc2nccnc2-c2nn[n-]n2)CCN(C(=O)c2ccc(Cl)[nH]2)C1 ZINC001571283710 945890895 /nfs/dbraw/zinc/89/08/95/945890895.db2.gz HHSUPQQDZKYOCO-INIZCTEOSA-N -1 1 387.835 1.603 20 0 GDADMM Cc1nsc(N2CC[C@@](C)(NC(=O)c3ncccc3F)C2)c1-c1nn[n-]n1 ZINC001571286216 945940326 /nfs/dbraw/zinc/94/03/26/945940326.db2.gz BCUMWRPUUFFXFI-MRXNPFEDSA-N -1 1 388.432 1.565 20 0 GDADMM Cc1nsc(N[C@H]2C[C@@H](C)N(C(=O)c3ccncc3F)C2)c1-c1nn[n-]n1 ZINC001571286177 945940617 /nfs/dbraw/zinc/94/06/17/945940617.db2.gz AEDMECBIAOCWOG-SCZZXKLOSA-N -1 1 388.432 1.881 20 0 GDADMM COc1ncc(NC(=O)N[C@H]2CCC[C@@H](C(=O)N(C)C)C2)cc1-c1nn[n-]n1 ZINC001571286493 945950531 /nfs/dbraw/zinc/95/05/31/945950531.db2.gz JIXVGJLXGSZQCP-MNOVXSKESA-N -1 1 388.432 1.039 20 0 GDADMM CC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)[C@@H]2CCC[C@H](F)C2)CC1 ZINC001571287401 945972761 /nfs/dbraw/zinc/97/27/61/945972761.db2.gz CYPABJFEKIWIPQ-OLZOCXBDSA-N -1 1 388.451 1.400 20 0 GDADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CCN(C(=O)C2(F)CCCC2)CC1 ZINC001571288885 945992620 /nfs/dbraw/zinc/99/26/20/945992620.db2.gz UASRWAKJEPNYPF-LBPRGKRZSA-N -1 1 388.451 1.978 20 0 GDADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CCN(C(=O)C2(F)CCCC2)CC1 ZINC001571288885 945992629 /nfs/dbraw/zinc/99/26/29/945992629.db2.gz UASRWAKJEPNYPF-LBPRGKRZSA-N -1 1 388.451 1.978 20 0 GDADMM O=C(N[C@H]1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1sccc1F ZINC001571288969 945995527 /nfs/dbraw/zinc/99/55/27/945995527.db2.gz VOCLTNHVPRVCCA-ZJUUUORDSA-N -1 1 388.432 1.432 20 0 GDADMM CC1(NC(=O)[C@H]2CCC[C@H](F)C2)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571289153 945995728 /nfs/dbraw/zinc/99/57/28/945995728.db2.gz VZMKETUWVQWOOI-STQMWFEESA-N -1 1 388.451 1.660 20 0 GDADMM CC1(NC(=O)[C@H]2CCC[C@H](F)C2)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571289153 945995737 /nfs/dbraw/zinc/99/57/37/945995737.db2.gz VZMKETUWVQWOOI-STQMWFEESA-N -1 1 388.451 1.660 20 0 GDADMM CC1(C)CN(C(=O)C2(F)CCCCC2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571289309 946002442 /nfs/dbraw/zinc/00/24/42/946002442.db2.gz ZMKZGOKRKUXJCR-ZDUSSCGKSA-N -1 1 388.451 1.978 20 0 GDADMM CC1(C)CN(C(=O)C2(F)CCCCC2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571289309 946002453 /nfs/dbraw/zinc/00/24/53/946002453.db2.gz ZMKZGOKRKUXJCR-ZDUSSCGKSA-N -1 1 388.451 1.978 20 0 GDADMM O=C(C1CCC(F)CC1)N1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571289373 946003255 /nfs/dbraw/zinc/00/32/55/946003255.db2.gz AXGHUIVYRDZYBV-RUXDESIVSA-N -1 1 388.451 1.978 20 0 GDADMM O=C(C1CCC(F)CC1)N1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571289373 946003264 /nfs/dbraw/zinc/00/32/64/946003264.db2.gz AXGHUIVYRDZYBV-RUXDESIVSA-N -1 1 388.451 1.978 20 0 GDADMM Cc1nc(C(=O)N[C@H]2CC[C@@H](CNc3snc(C)c3-c3nn[n-]n3)C2)co1 ZINC001571289747 946018780 /nfs/dbraw/zinc/01/87/80/946018780.db2.gz LSQIWZWAHVRRIC-MNOVXSKESA-N -1 1 388.457 1.939 20 0 GDADMM Cc1conc1C(=O)N[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)[C@H](C)C1 ZINC001571289869 946021399 /nfs/dbraw/zinc/02/13/99/946021399.db2.gz ONWXZKZUVJVCCZ-KOLCDFICSA-N -1 1 388.457 1.715 20 0 GDADMM C[C@H]1C[C@H](NC(=O)c2occc2Cl)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571290539 946048407 /nfs/dbraw/zinc/04/84/07/946048407.db2.gz IINPOMCSGHRKKG-VHSXEESVSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@H]1C[C@H](NC(=O)c2occc2Cl)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571290539 946048421 /nfs/dbraw/zinc/04/84/21/946048421.db2.gz IINPOMCSGHRKKG-VHSXEESVSA-N -1 1 388.819 1.690 20 0 GDADMM O=C(c1ccc(Cl)o1)N1CC[C@@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001571290794 946057383 /nfs/dbraw/zinc/05/73/83/946057383.db2.gz PFSKYBAUDRRLER-SNVBAGLBSA-N -1 1 388.819 1.867 20 0 GDADMM O=C(c1ccc(Cl)o1)N1CC[C@@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001571290794 946057398 /nfs/dbraw/zinc/05/73/98/946057398.db2.gz PFSKYBAUDRRLER-SNVBAGLBSA-N -1 1 388.819 1.867 20 0 GDADMM C[C@@H]1CN(C(=O)c2occc2Cl)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571290932 946059268 /nfs/dbraw/zinc/05/92/68/946059268.db2.gz UXWVKPWKGWXWQF-NXEZZACHSA-N -1 1 388.819 1.723 20 0 GDADMM C[C@@H]1CN(C(=O)c2occc2Cl)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571290932 946059282 /nfs/dbraw/zinc/05/92/82/946059282.db2.gz UXWVKPWKGWXWQF-NXEZZACHSA-N -1 1 388.819 1.723 20 0 GDADMM COC(=O)c1nc(CNC(=O)Nc2cccc(-c3nnn[n-]3)n2)ccc1Cl ZINC001571290995 946062299 /nfs/dbraw/zinc/06/22/99/946062299.db2.gz XFOHXFCZJBXAKD-UHFFFAOYSA-N -1 1 388.775 1.418 20 0 GDADMM COC(=O)c1nc(CNC(=O)Nc2cccc(-c3nn[n-]n3)n2)ccc1Cl ZINC001571290995 946062313 /nfs/dbraw/zinc/06/23/13/946062313.db2.gz XFOHXFCZJBXAKD-UHFFFAOYSA-N -1 1 388.775 1.418 20 0 GDADMM C[C@@H]1CC[C@H](NC(=O)c2occc2Cl)CN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571290938 946063574 /nfs/dbraw/zinc/06/35/74/946063574.db2.gz UYMYUVLYNQQFPJ-ZJUUUORDSA-N -1 1 388.819 1.690 20 0 GDADMM CC(=O)[C@H]([N-]S(=O)(=O)c1cccc(C)c1-c1nn[nH]n1)c1ccccc1F ZINC001571291416 946075547 /nfs/dbraw/zinc/07/55/47/946075547.db2.gz JJRKJGKJNJOYNP-INIZCTEOSA-N -1 1 389.412 1.923 20 0 GDADMM COC(=O)[C@H](NC(=O)c1csc(-c2nn[n-]n2)c1)c1ccc(OC)c(O)c1 ZINC001571292405 946094667 /nfs/dbraw/zinc/09/46/67/946094667.db2.gz YZDANORGXMAISD-CYBMUJFWSA-N -1 1 389.393 1.287 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CC(C(F)(F)F)C1 ZINC000822459809 946097251 /nfs/dbraw/zinc/09/72/51/946097251.db2.gz XMELPKMRUDYSMH-UHFFFAOYSA-N -1 1 394.361 1.480 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CC(C(F)(F)F)C1 ZINC000822459809 946097270 /nfs/dbraw/zinc/09/72/70/946097270.db2.gz XMELPKMRUDYSMH-UHFFFAOYSA-N -1 1 394.361 1.480 20 0 GDADMM O=C(N[C@H]1CC[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)c1ccc(Cl)[nH]1 ZINC001571294259 946129669 /nfs/dbraw/zinc/12/96/69/946129669.db2.gz CNJFPXVOMJOQIC-NSHDSACASA-N -1 1 389.822 1.992 20 0 GDADMM O=C(N[C@]12CCC[C@@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2)C1CC(F)(F)C1 ZINC001571294472 946135992 /nfs/dbraw/zinc/13/59/92/946135992.db2.gz IBZYJVZNFXQEAD-ZBEGNZNMSA-N -1 1 390.398 1.320 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCc3c(cnn3-c3ccccc3)C2)n1 ZINC000822609601 946137521 /nfs/dbraw/zinc/13/75/21/946137521.db2.gz RRAIHZXGPFNHJR-UHFFFAOYSA-N -1 1 390.411 1.376 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCc3c(cnn3-c3ccccc3)C2)n1 ZINC000822609601 946137526 /nfs/dbraw/zinc/13/75/26/946137526.db2.gz RRAIHZXGPFNHJR-UHFFFAOYSA-N -1 1 390.411 1.376 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)n1 ZINC000822608846 946137719 /nfs/dbraw/zinc/13/77/19/946137719.db2.gz IAZWSUPVVXWOIO-ZDUSSCGKSA-N -1 1 390.354 1.484 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)n1 ZINC000822608846 946137725 /nfs/dbraw/zinc/13/77/25/946137725.db2.gz IAZWSUPVVXWOIO-ZDUSSCGKSA-N -1 1 390.354 1.484 20 0 GDADMM Cc1nsc(N2CC[C@@H]3[C@H]2CCCN3C(=O)[C@H]2CCOC2)c1-c1nn[n-]n1 ZINC001571295228 946157287 /nfs/dbraw/zinc/15/72/87/946157287.db2.gz QJPUBHFPOYEFFD-YNEHKIRRSA-N -1 1 389.485 1.238 20 0 GDADMM CCOC1CC(C(=O)N2C[C@@H]3C[C@H]2CN3c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571295532 946167096 /nfs/dbraw/zinc/16/70/96/946167096.db2.gz WSOAWYZDRIDLBA-ZFQMDJOTSA-N -1 1 389.485 1.236 20 0 GDADMM COc1nc(C(=O)N2CC[C@@H](CNc3snc(C)c3-c3nn[n-]n3)C2)co1 ZINC001571296247 946190321 /nfs/dbraw/zinc/19/03/21/946190321.db2.gz RRQIVWWPMOZNLB-VIFPVBQESA-N -1 1 390.429 1.202 20 0 GDADMM O=C([C@@H]1C[C@H]1c1ccccc1)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571297823 946198381 /nfs/dbraw/zinc/19/83/81/946198381.db2.gz AKOMFQUYROHNKH-OWCLPIDISA-N -1 1 390.451 1.863 20 0 GDADMM O=C([C@@H]1C[C@H]1c1ccccc1)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571297823 946198389 /nfs/dbraw/zinc/19/83/89/946198389.db2.gz AKOMFQUYROHNKH-OWCLPIDISA-N -1 1 390.451 1.863 20 0 GDADMM O=C(N[C@@H]1CCCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1)c1ccncc1 ZINC001571298536 946219370 /nfs/dbraw/zinc/21/93/70/946219370.db2.gz AMESNAPHQBVIST-SNVBAGLBSA-N -1 1 390.860 1.770 20 0 GDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1nc(N2CCCC2)ncc1Cl ZINC001571298605 946222629 /nfs/dbraw/zinc/22/26/29/946222629.db2.gz BMERUXYSDZYPRV-UHFFFAOYSA-N -1 1 390.860 1.902 20 0 GDADMM CN(C(=O)c1sccc1Cl)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571298572 946222647 /nfs/dbraw/zinc/22/26/47/946222647.db2.gz BCWSDOJZFDSALY-VIFPVBQESA-N -1 1 390.860 1.723 20 0 GDADMM O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822964328 946235049 /nfs/dbraw/zinc/23/50/49/946235049.db2.gz GRXXUSZSURQEIW-VXGBXAGGSA-N -1 1 384.396 1.076 20 0 GDADMM COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000325428345 971214958 /nfs/dbraw/zinc/21/49/58/971214958.db2.gz YUPMEIQSDXDCEF-KOLCDFICSA-N -1 1 376.862 1.808 20 0 GDADMM CC[C@H](SC)C(=O)N1CCC(CCNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571299182 946244406 /nfs/dbraw/zinc/24/44/06/946244406.db2.gz JMEOENNFNRDPCA-ZDUSSCGKSA-N -1 1 390.517 1.261 20 0 GDADMM O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1csc(-c2nn[n-]n2)c1 ZINC001571299495 946251171 /nfs/dbraw/zinc/25/11/71/946251171.db2.gz SLPJVTKTMAYKRZ-UHFFFAOYSA-N -1 1 390.450 1.720 20 0 GDADMM O=C(N[C@@H]1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1)c1ccccc1 ZINC001571299519 946254701 /nfs/dbraw/zinc/25/47/01/946254701.db2.gz WQOCZGGNCVCDCR-ARFHVFGLSA-N -1 1 390.451 1.692 20 0 GDADMM O=C(N[C@@H]1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1)c1ccccc1 ZINC001571299519 946254708 /nfs/dbraw/zinc/25/47/08/946254708.db2.gz WQOCZGGNCVCDCR-ARFHVFGLSA-N -1 1 390.451 1.692 20 0 GDADMM C[C@@H]1CN(C(=O)c2csc(Cl)c2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571299655 946257319 /nfs/dbraw/zinc/25/73/19/946257319.db2.gz OFBWWBVRVWEQKC-LDYMZIIASA-N -1 1 390.860 1.944 20 0 GDADMM C[C@@H]1CN(C(=O)c2csc(Cl)c2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571299655 946257330 /nfs/dbraw/zinc/25/73/30/946257330.db2.gz OFBWWBVRVWEQKC-LDYMZIIASA-N -1 1 390.860 1.944 20 0 GDADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCCN(C(=O)[C@H]2Cc3ccccc32)C1 ZINC001571300033 946268686 /nfs/dbraw/zinc/26/86/86/946268686.db2.gz YJHLCUGDPLDZOH-ZBFHGGJFSA-N -1 1 390.451 1.424 20 0 GDADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCCN(C(=O)[C@H]2Cc3ccccc32)C1 ZINC001571300033 946268698 /nfs/dbraw/zinc/26/86/98/946268698.db2.gz YJHLCUGDPLDZOH-ZBFHGGJFSA-N -1 1 390.451 1.424 20 0 GDADMM Cc1ccccc1C(=O)N1CCC[C@H]2[C@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001571300005 946269818 /nfs/dbraw/zinc/26/98/18/946269818.db2.gz XYAAWARHKPTLHX-DLBZAZTESA-N -1 1 390.451 1.849 20 0 GDADMM Cc1ccccc1C(=O)N1CCC[C@H]2[C@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001571300005 946269830 /nfs/dbraw/zinc/26/98/30/946269830.db2.gz XYAAWARHKPTLHX-DLBZAZTESA-N -1 1 390.451 1.849 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3)C2)n1 ZINC001571300051 946270133 /nfs/dbraw/zinc/27/01/33/946270133.db2.gz ZGJLTLDCWJDOFH-XHSDSOJGSA-N -1 1 390.451 1.782 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3)C2)n1 ZINC001571300051 946270141 /nfs/dbraw/zinc/27/01/41/946270141.db2.gz ZGJLTLDCWJDOFH-XHSDSOJGSA-N -1 1 390.451 1.782 20 0 GDADMM O=C([C@H]1Cc2ccccc21)N1CCC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571299990 946270472 /nfs/dbraw/zinc/27/04/72/946270472.db2.gz XOZOVFZKTFJWGI-CJNGLKHVSA-N -1 1 390.451 1.647 20 0 GDADMM O=C([C@H]1Cc2ccccc21)N1CCC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571299990 946270481 /nfs/dbraw/zinc/27/04/81/946270481.db2.gz XOZOVFZKTFJWGI-CJNGLKHVSA-N -1 1 390.451 1.647 20 0 GDADMM O=C(Cc1ccc(Cl)s1)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571300261 946277551 /nfs/dbraw/zinc/27/75/51/946277551.db2.gz XYHHHROQMJSRNL-KYZUINATSA-N -1 1 390.860 1.673 20 0 GDADMM O=C(Cc1ccc(Cl)s1)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571300261 946277562 /nfs/dbraw/zinc/27/75/62/946277562.db2.gz XYHHHROQMJSRNL-KYZUINATSA-N -1 1 390.860 1.673 20 0 GDADMM C[C@@]1(NC(=O)c2cc(Cl)cs2)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571300242 946279330 /nfs/dbraw/zinc/27/93/30/946279330.db2.gz XSNSWIRQHUUIOR-OAHLLOKOSA-N -1 1 390.860 1.770 20 0 GDADMM C[C@@]1(NC(=O)c2cc(Cl)cs2)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571300242 946279342 /nfs/dbraw/zinc/27/93/42/946279342.db2.gz XSNSWIRQHUUIOR-OAHLLOKOSA-N -1 1 390.860 1.770 20 0 GDADMM Cc1cncc(C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2nccnc2-c2nnn[n-]2)c1 ZINC001571302613 946306920 /nfs/dbraw/zinc/30/69/20/946306920.db2.gz CTEZXAZRXCTBLI-CABCVRRESA-N -1 1 391.439 1.244 20 0 GDADMM Cc1cncc(C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2nccnc2-c2nn[n-]n2)c1 ZINC001571302613 946306927 /nfs/dbraw/zinc/30/69/27/946306927.db2.gz CTEZXAZRXCTBLI-CABCVRRESA-N -1 1 391.439 1.244 20 0 GDADMM O=C(N[C@@H]1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@H]2C1)c1ccccn1 ZINC001571302592 946308653 /nfs/dbraw/zinc/30/86/53/946308653.db2.gz CAZZTKNSNUUYKP-MELADBBJSA-N -1 1 391.439 1.087 20 0 GDADMM O=C(N[C@@H]1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@H]2C1)c1ccccn1 ZINC001571302592 946308665 /nfs/dbraw/zinc/30/86/65/946308665.db2.gz CAZZTKNSNUUYKP-MELADBBJSA-N -1 1 391.439 1.087 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ccnc(C3CC3)c2)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571303948 946351598 /nfs/dbraw/zinc/35/15/98/946351598.db2.gz TUGCYJHFPHZPON-RISCZKNCSA-N -1 1 391.439 1.326 20 0 GDADMM COCc1ncc(C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)s1 ZINC001571305696 946373001 /nfs/dbraw/zinc/37/30/01/946373001.db2.gz KBIVFVNACDSDGQ-UHFFFAOYSA-N -1 1 391.482 1.145 20 0 GDADMM CCOC1CC(C(=O)N[C@H]2CCCN(c3snc(C)c3-c3nn[n-]n3)C2)C1 ZINC001571305885 946380124 /nfs/dbraw/zinc/38/01/24/946380124.db2.gz MZCNEZKRBZJTIA-CPCZMJQVSA-N -1 1 391.501 1.532 20 0 GDADMM O=C(NC[C@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1)c1ncccn1 ZINC001571305864 946380385 /nfs/dbraw/zinc/38/03/85/946380385.db2.gz MEUYJHDAJUDOKJ-MRVPVSSYSA-N -1 1 391.848 1.023 20 0 GDADMM Cc1nsc(N2CC[C@H](NC(=O)C(C)(C)C3CC3)[C@@H](O)C2)c1-c1nn[n-]n1 ZINC001571306502 946403017 /nfs/dbraw/zinc/40/30/17/946403017.db2.gz VPKREYZBSNTSTF-RYUDHWBXSA-N -1 1 391.501 1.124 20 0 GDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000823379638 946419088 /nfs/dbraw/zinc/41/90/88/946419088.db2.gz BPAPWAYDFVWDPR-UHFFFAOYSA-N -1 1 383.393 1.225 20 0 GDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000823379638 946419093 /nfs/dbraw/zinc/41/90/93/946419093.db2.gz BPAPWAYDFVWDPR-UHFFFAOYSA-N -1 1 383.393 1.225 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(C)(F)F)CC2)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571307548 946422539 /nfs/dbraw/zinc/42/25/39/946422539.db2.gz DPCWWZKNJUCWFC-WDEREUQCSA-N -1 1 392.414 1.163 20 0 GDADMM CN(C[C@H]1CCCN(C(=O)[C@H]2CCC2(F)F)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571307520 946422772 /nfs/dbraw/zinc/42/27/72/946422772.db2.gz CYBQLKSZFHRDDD-VXGBXAGGSA-N -1 1 392.414 1.377 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)CC[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571307594 946424321 /nfs/dbraw/zinc/42/43/21/946424321.db2.gz FXCNPGPTVCKZQX-GHMZBOCLSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)CC[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571307594 946424328 /nfs/dbraw/zinc/42/43/28/946424328.db2.gz FXCNPGPTVCKZQX-GHMZBOCLSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2CC(F)(F)C2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571307813 946426419 /nfs/dbraw/zinc/42/64/19/946426419.db2.gz HKVKKVQRGRABGF-MFKMUULPSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2CC(F)(F)C2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571307813 946426426 /nfs/dbraw/zinc/42/64/26/946426426.db2.gz HKVKKVQRGRABGF-MFKMUULPSA-N -1 1 392.414 1.741 20 0 GDADMM Cc1ncc(NC(=O)c2cnc(C(F)(F)F)c(-c3nn[n-]n3)c2)cc1C(N)=O ZINC001571308283 946430507 /nfs/dbraw/zinc/43/05/07/946430507.db2.gz NQIBSRSLPCOFOB-UHFFFAOYSA-N -1 1 392.301 1.335 20 0 GDADMM CCc1nc(N[C@H]2CCN(C(=O)C3(C(C)(F)F)CC3)C2)cc(-c2nnn[n-]2)n1 ZINC001571308307 946431066 /nfs/dbraw/zinc/43/10/66/946431066.db2.gz OFQBZMLIIWYLOT-JTQLQIEISA-N -1 1 392.414 1.667 20 0 GDADMM CCc1nc(N[C@H]2CCN(C(=O)C3(C(C)(F)F)CC3)C2)cc(-c2nn[n-]n2)n1 ZINC001571308307 946431073 /nfs/dbraw/zinc/43/10/73/946431073.db2.gz OFQBZMLIIWYLOT-JTQLQIEISA-N -1 1 392.414 1.667 20 0 GDADMM CC[C@H]1CN(C(=O)C2CC(F)(F)C2)CC[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571308603 946436036 /nfs/dbraw/zinc/43/60/36/946436036.db2.gz SEQLBQULGIYSGP-JQWIXIFHSA-N -1 1 392.414 1.741 20 0 GDADMM CC[C@H]1CN(C(=O)C2CC(F)(F)C2)CC[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571308603 946436042 /nfs/dbraw/zinc/43/60/42/946436042.db2.gz SEQLBQULGIYSGP-JQWIXIFHSA-N -1 1 392.414 1.741 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCCN(C(=O)C3CC(F)(F)C3)C2)n1 ZINC001571308885 946437798 /nfs/dbraw/zinc/43/77/98/946437798.db2.gz UJBTYFBTWRLLCB-LLVKDONJSA-N -1 1 392.414 1.661 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCCN(C(=O)C3CC(F)(F)C3)C2)n1 ZINC001571308885 946437806 /nfs/dbraw/zinc/43/78/06/946437806.db2.gz UJBTYFBTWRLLCB-LLVKDONJSA-N -1 1 392.414 1.661 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC(N(C)C(=O)[C@H]3CC3(F)F)CC2)n1 ZINC001571309171 946440537 /nfs/dbraw/zinc/44/05/37/946440537.db2.gz XEALUDVTZJQDTB-LLVKDONJSA-N -1 1 392.414 1.302 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC(N(C)C(=O)[C@H]3CC3(F)F)CC2)n1 ZINC001571309171 946440545 /nfs/dbraw/zinc/44/05/45/946440545.db2.gz XEALUDVTZJQDTB-LLVKDONJSA-N -1 1 392.414 1.302 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccc2c(c1)COC2 ZINC001571309589 946449009 /nfs/dbraw/zinc/44/90/09/946449009.db2.gz DWXUJJUSUPPANP-OAHLLOKOSA-N -1 1 392.423 1.086 20 0 GDADMM O=C(N[C@@H]1C[C@@H](Nc2ccc(-c3nn[nH]n3)cn2)C12CCC2)c1ncccc1[O-] ZINC001571309700 946450936 /nfs/dbraw/zinc/45/09/36/946450936.db2.gz IBFUJNQNJFJMHR-ZIAGYGMSSA-N -1 1 392.423 1.515 20 0 GDADMM O=C(N[C@@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2)c1ccccc1O ZINC001571309911 946456770 /nfs/dbraw/zinc/45/67/70/946456770.db2.gz PFGVNDPWGHYJFB-DNVCBOLYSA-N -1 1 392.423 1.294 20 0 GDADMM O=C([C@H]1C[C@@H]1C(F)F)N1CCCC[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001571310191 946463315 /nfs/dbraw/zinc/46/33/15/946463315.db2.gz XWHODSQQCKRNAQ-SRVKXCTJSA-N -1 1 392.414 1.741 20 0 GDADMM O=C([C@H]1C[C@@H]1C(F)F)N1CCCC[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001571310191 946463327 /nfs/dbraw/zinc/46/33/27/946463327.db2.gz XWHODSQQCKRNAQ-SRVKXCTJSA-N -1 1 392.414 1.741 20 0 GDADMM CC(C)(C)c1ccccc1C(=O)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571310509 946472870 /nfs/dbraw/zinc/47/28/70/946472870.db2.gz HZAVZXPJAUYUPO-UHFFFAOYSA-N -1 1 392.467 1.917 20 0 GDADMM CCCc1ccc(C(=O)N2CC[C@@H](N(C)c3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001571313025 946509786 /nfs/dbraw/zinc/50/97/86/946509786.db2.gz IAIZORSTCQAKHZ-MRXNPFEDSA-N -1 1 392.467 1.960 20 0 GDADMM CCCc1ccc(C(=O)N2CC[C@@H](N(C)c3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001571313025 946509799 /nfs/dbraw/zinc/50/97/99/946509799.db2.gz IAIZORSTCQAKHZ-MRXNPFEDSA-N -1 1 392.467 1.960 20 0 GDADMM CCc1nc(NC[C@H]2C[C@H](NC(=O)Cc3ccccc3)C2)cc(-c2nnn[n-]2)n1 ZINC001571313324 946518405 /nfs/dbraw/zinc/51/84/05/946518405.db2.gz MPSKSVBCIFXQBY-SHTZXODSSA-N -1 1 392.467 1.769 20 0 GDADMM CCc1nc(NC[C@H]2C[C@H](NC(=O)Cc3ccccc3)C2)cc(-c2nn[n-]n2)n1 ZINC001571313324 946518410 /nfs/dbraw/zinc/51/84/10/946518410.db2.gz MPSKSVBCIFXQBY-SHTZXODSSA-N -1 1 392.467 1.769 20 0 GDADMM CCc1ccc(C(=O)N2CCC[C@@H]2CN(C)c2cncc(-c3nnn[n-]3)n2)cc1 ZINC001571313318 946518610 /nfs/dbraw/zinc/51/86/10/946518610.db2.gz MIKVHWSPLXGETC-MRXNPFEDSA-N -1 1 392.467 1.960 20 0 GDADMM CCc1ccc(C(=O)N2CCC[C@@H]2CN(C)c2cncc(-c3nn[n-]n3)n2)cc1 ZINC001571313318 946518615 /nfs/dbraw/zinc/51/86/15/946518615.db2.gz MIKVHWSPLXGETC-MRXNPFEDSA-N -1 1 392.467 1.960 20 0 GDADMM CC1(C)CN(c2ccc(-c3nnn[n-]3)nn2)CC[C@@H]1NC(=O)C1C=CC=CC=C1 ZINC001571313340 946518751 /nfs/dbraw/zinc/51/87/51/946518751.db2.gz NALHUTPGVOEPIQ-INIZCTEOSA-N -1 1 392.467 1.676 20 0 GDADMM CC1(C)CN(c2ccc(-c3nn[n-]n3)nn2)CC[C@@H]1NC(=O)C1C=CC=CC=C1 ZINC001571313340 946518763 /nfs/dbraw/zinc/51/87/63/946518763.db2.gz NALHUTPGVOEPIQ-INIZCTEOSA-N -1 1 392.467 1.676 20 0 GDADMM O=C(c1ccc2c(c1)CCOC2)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571313575 946526086 /nfs/dbraw/zinc/52/60/86/946526086.db2.gz RZYOCTOFVCMVHF-HNNXBMFYSA-N -1 1 392.423 1.056 20 0 GDADMM O=C(c1ccc2c(c1)CCOC2)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571313575 946526093 /nfs/dbraw/zinc/52/60/93/946526093.db2.gz RZYOCTOFVCMVHF-HNNXBMFYSA-N -1 1 392.423 1.056 20 0 GDADMM Cc1cc(C)cc(CCC(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571314701 946542235 /nfs/dbraw/zinc/54/22/35/946542235.db2.gz ANVKETBSEYXKBM-INIZCTEOSA-N -1 1 392.467 1.919 20 0 GDADMM Cc1cc(C)cc(CCC(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571314701 946542242 /nfs/dbraw/zinc/54/22/42/946542242.db2.gz ANVKETBSEYXKBM-INIZCTEOSA-N -1 1 392.467 1.919 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@@](C)(CNc3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001571314761 946545817 /nfs/dbraw/zinc/54/58/17/946545817.db2.gz CFZANIAQHMTEGR-FQEVSTJZSA-N -1 1 392.467 1.858 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@@](C)(CNc3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001571314761 946545828 /nfs/dbraw/zinc/54/58/28/946545828.db2.gz CFZANIAQHMTEGR-FQEVSTJZSA-N -1 1 392.467 1.858 20 0 GDADMM Cc1cc(C)cc(C(=O)N[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CC2(C)C)c1 ZINC001571315160 946547667 /nfs/dbraw/zinc/54/76/67/946547667.db2.gz GYFSRETTXBYNLI-INIZCTEOSA-N -1 1 392.467 1.918 20 0 GDADMM Cc1cc(C)cc(C(=O)N[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CC2(C)C)c1 ZINC001571315160 946547673 /nfs/dbraw/zinc/54/76/73/946547673.db2.gz GYFSRETTXBYNLI-INIZCTEOSA-N -1 1 392.467 1.918 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)Cc3ccc(C)c(C)c3)C2)n1 ZINC001571315589 946555512 /nfs/dbraw/zinc/55/55/12/946555512.db2.gz LYCIRBVPZKOXLM-MRXNPFEDSA-N -1 1 392.467 1.837 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)Cc3ccc(C)c(C)c3)C2)n1 ZINC001571315589 946555519 /nfs/dbraw/zinc/55/55/19/946555519.db2.gz LYCIRBVPZKOXLM-MRXNPFEDSA-N -1 1 392.467 1.837 20 0 GDADMM Cc1c[nH]cc1C(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)C[C@H]1C ZINC001571317576 946612809 /nfs/dbraw/zinc/61/28/09/946612809.db2.gz MXWYTUADSOEULB-PSASIEDQSA-N -1 1 392.876 1.868 20 0 GDADMM Cc1c[nH]cc1C(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)C[C@H]1C ZINC001571317576 946612815 /nfs/dbraw/zinc/61/28/15/946612815.db2.gz MXWYTUADSOEULB-PSASIEDQSA-N -1 1 392.876 1.868 20 0 GDADMM C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)NCc3ccc(-c4nn[n-]n4)s3)O2)[C@H]1C ZINC001571317592 946614566 /nfs/dbraw/zinc/61/45/66/946614566.db2.gz NWMRNCCKGNFVPD-KVFJLYFUSA-N -1 1 392.485 1.700 20 0 GDADMM CC(C)Cn1ncnc1CN1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000824284668 946644866 /nfs/dbraw/zinc/64/48/66/946644866.db2.gz LZZPIJNOFVTVRT-UHFFFAOYSA-N -1 1 398.475 1.302 20 0 GDADMM CC(=O)NC[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)CCC1(F)F ZINC001573530338 946691754 /nfs/dbraw/zinc/69/17/54/946691754.db2.gz XUWLAIZBADVBIW-SSDOTTSWSA-N -1 1 377.808 1.574 20 0 GDADMM CC(=O)NC[C@@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)CCC1(F)F ZINC001573530338 946691758 /nfs/dbraw/zinc/69/17/58/946691758.db2.gz XUWLAIZBADVBIW-SSDOTTSWSA-N -1 1 377.808 1.574 20 0 GDADMM CC(=O)Nc1ccccc1CNS(=O)(=O)Cc1csc(-c2nn[n-]n2)c1 ZINC001573547992 946843382 /nfs/dbraw/zinc/84/33/82/946843382.db2.gz ABNKOSBQPIEVQP-UHFFFAOYSA-N -1 1 392.466 1.506 20 0 GDADMM CC(=O)Nc1ccccc1C(F)(F)C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001573548973 946862637 /nfs/dbraw/zinc/86/26/37/946862637.db2.gz ZICWERODLHCQPF-UHFFFAOYSA-N -1 1 387.350 1.628 20 0 GDADMM CC(=O)Nc1ccccc1C(F)(F)C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001573548973 946862653 /nfs/dbraw/zinc/86/26/53/946862653.db2.gz ZICWERODLHCQPF-UHFFFAOYSA-N -1 1 387.350 1.628 20 0 GDADMM CC(=O)c1ccc(S(=O)(=O)NCc2ccnc(-c3nnn[n-]3)c2)cc1F ZINC001573555416 946909335 /nfs/dbraw/zinc/90/93/35/946909335.db2.gz KURNAPANFYLRHN-UHFFFAOYSA-N -1 1 376.373 1.082 20 0 GDADMM CC(=O)c1ccc(S(=O)(=O)NCc2ccnc(-c3nn[n-]n3)c2)cc1F ZINC001573555416 946909340 /nfs/dbraw/zinc/90/93/40/946909340.db2.gz KURNAPANFYLRHN-UHFFFAOYSA-N -1 1 376.373 1.082 20 0 GDADMM CC[C@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)c1ccc2c(c1)OCCO2 ZINC000825134044 947092850 /nfs/dbraw/zinc/09/28/50/947092850.db2.gz RFBXKPXQLFJTJG-LBPRGKRZSA-N -1 1 384.396 1.744 20 0 GDADMM CC[C@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)c1ccc2c(c1)OCCO2 ZINC000825134044 947092858 /nfs/dbraw/zinc/09/28/58/947092858.db2.gz RFBXKPXQLFJTJG-LBPRGKRZSA-N -1 1 384.396 1.744 20 0 GDADMM CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)C1 ZINC000825233157 947128534 /nfs/dbraw/zinc/12/85/34/947128534.db2.gz NSQMBNMXJJPXCK-WCQYABFASA-N -1 1 389.460 1.249 20 0 GDADMM CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)C1 ZINC000825233157 947128544 /nfs/dbraw/zinc/12/85/44/947128544.db2.gz NSQMBNMXJJPXCK-WCQYABFASA-N -1 1 389.460 1.249 20 0 GDADMM CCNC(=O)c1cc(Cl)ccc1NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825476824 947200944 /nfs/dbraw/zinc/20/09/44/947200944.db2.gz XSHQWJHFYLSESW-UHFFFAOYSA-N -1 1 389.803 1.747 20 0 GDADMM CCNC(=O)c1cc(Cl)ccc1NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825476824 947200958 /nfs/dbraw/zinc/20/09/58/947200958.db2.gz XSHQWJHFYLSESW-UHFFFAOYSA-N -1 1 389.803 1.747 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)Nc2cc(C(C)(C)C)no2)c1-c1nn[n-]n1 ZINC000825564859 947221033 /nfs/dbraw/zinc/22/10/33/947221033.db2.gz HQTORJSITUCXHI-UHFFFAOYSA-N -1 1 388.388 1.164 20 0 GDADMM CCOC(=O)c1cnn(Cc2cc(=O)oc3cc(C)ccc23)c1-c1nn[n-]n1 ZINC000825569858 947228610 /nfs/dbraw/zinc/22/86/10/947228610.db2.gz BQCHUEKAGOCGOK-UHFFFAOYSA-N -1 1 380.364 1.703 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)c2ccc(NC(=O)CC)cc2)c1-c1nn[n-]n1 ZINC000825571194 947233566 /nfs/dbraw/zinc/23/35/66/947233566.db2.gz UZJNZADUOBIDGQ-UHFFFAOYSA-N -1 1 397.395 1.471 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)Nc2ccc(C)c(Cl)c2)c1-c1nn[n-]n1 ZINC000825571244 947233633 /nfs/dbraw/zinc/23/36/33/947233633.db2.gz WGRZZLVGLPFVRX-UHFFFAOYSA-N -1 1 389.803 1.840 20 0 GDADMM CCOc1cccc([C@@H]2C[C@@H]2NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000825649352 947273960 /nfs/dbraw/zinc/27/39/60/947273960.db2.gz PLWPSESVOKNWHJ-HOCLYGCPSA-N -1 1 386.437 1.495 20 0 GDADMM CCOc1cccc([C@@H]2C[C@@H]2NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000825649352 947273971 /nfs/dbraw/zinc/27/39/71/947273971.db2.gz PLWPSESVOKNWHJ-HOCLYGCPSA-N -1 1 386.437 1.495 20 0 GDADMM C[C@@H](C(=O)N(C)[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1)c1cccc(F)c1 ZINC001573586751 947293838 /nfs/dbraw/zinc/29/38/38/947293838.db2.gz SHOUAHDRWFCLGF-NWDGAFQWSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@@H](C(=O)N(C)[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001573586751 947293849 /nfs/dbraw/zinc/29/38/49/947293849.db2.gz SHOUAHDRWFCLGF-NWDGAFQWSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1cncc(-c2nnn[n-]2)n1)n1cccn1 ZINC001573592409 947336079 /nfs/dbraw/zinc/33/60/79/947336079.db2.gz KIBPFRLHFXMHRL-GFCCVEGCSA-N -1 1 384.448 1.011 20 0 GDADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1cncc(-c2nn[n-]n2)n1)n1cccn1 ZINC001573592409 947336090 /nfs/dbraw/zinc/33/60/90/947336090.db2.gz KIBPFRLHFXMHRL-GFCCVEGCSA-N -1 1 384.448 1.011 20 0 GDADMM C[C@@H](C(=O)N(C)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccsc1 ZINC001573593187 947364074 /nfs/dbraw/zinc/36/40/74/947364074.db2.gz REXROBMNMGUADO-YPMHNXCESA-N -1 1 384.469 1.559 20 0 GDADMM C[C@@H](C(=O)N(C)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccsc1 ZINC001573593187 947364085 /nfs/dbraw/zinc/36/40/85/947364085.db2.gz REXROBMNMGUADO-YPMHNXCESA-N -1 1 384.469 1.559 20 0 GDADMM C[C@H](C(=O)N(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1ccco1 ZINC001573593183 947364850 /nfs/dbraw/zinc/36/48/50/947364850.db2.gz IRNVTBWXFWVDGN-AAEUAGOBSA-N -1 1 382.428 1.124 20 0 GDADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1cnc(-c2nnn[n-]2)cn1)[C@H]1CCCO1 ZINC001573593685 947376987 /nfs/dbraw/zinc/37/69/87/947376987.db2.gz URSHWXKVLJCZJT-GXTWGEPZSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1cnc(-c2nn[n-]n2)cn1)[C@H]1CCCO1 ZINC001573593685 947376999 /nfs/dbraw/zinc/37/69/99/947376999.db2.gz URSHWXKVLJCZJT-GXTWGEPZSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@@H](C(=O)N(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)n1cccc1 ZINC001573593873 947379268 /nfs/dbraw/zinc/37/92/68/947379268.db2.gz MHHULWPPGPGRJE-JSGCOSHPSA-N -1 1 381.444 1.368 20 0 GDADMM C[C@@H](C(=O)N(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)n1cccc1 ZINC001573593873 947379282 /nfs/dbraw/zinc/37/92/82/947379282.db2.gz MHHULWPPGPGRJE-JSGCOSHPSA-N -1 1 381.444 1.368 20 0 GDADMM CNC(=O)c1cc(Cl)ccc1NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000826068689 947422834 /nfs/dbraw/zinc/42/28/34/947422834.db2.gz WQOXFXWSTNZEDB-UHFFFAOYSA-N -1 1 375.776 1.357 20 0 GDADMM CNC(=O)c1cc(Cl)ccc1NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000826068689 947422840 /nfs/dbraw/zinc/42/28/40/947422840.db2.gz WQOXFXWSTNZEDB-UHFFFAOYSA-N -1 1 375.776 1.357 20 0 GDADMM COC(=O)C(C)(C)[C@@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)c1ccccc1 ZINC000826098503 947426807 /nfs/dbraw/zinc/42/68/07/947426807.db2.gz GTHDAZRBBTWSAY-INIZCTEOSA-N -1 1 398.423 1.762 20 0 GDADMM COC(=O)C(C)(C)[C@@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)c1ccccc1 ZINC000826098503 947426815 /nfs/dbraw/zinc/42/68/15/947426815.db2.gz GTHDAZRBBTWSAY-INIZCTEOSA-N -1 1 398.423 1.762 20 0 GDADMM C[C@H](C(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)nn1)c1cccnc1 ZINC001573597913 947439925 /nfs/dbraw/zinc/43/99/25/947439925.db2.gz PIPSFTBOSOZOIM-ZDUSSCGKSA-N -1 1 381.444 1.140 20 0 GDADMM C[C@H](C(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)nn1)c1cccnc1 ZINC001573597913 947439932 /nfs/dbraw/zinc/43/99/32/947439932.db2.gz PIPSFTBOSOZOIM-ZDUSSCGKSA-N -1 1 381.444 1.140 20 0 GDADMM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2-c2nn[nH]n2)cc1 ZINC000826163213 947511993 /nfs/dbraw/zinc/51/19/93/947511993.db2.gz KQNBKNDUSLYVAU-UHFFFAOYSA-N -1 1 393.400 1.832 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573614140 947578702 /nfs/dbraw/zinc/57/87/02/947578702.db2.gz CFQHZNIJVZPXCK-MNOVXSKESA-N -1 1 380.403 1.020 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CN(C)c2nccnc2-c2nnn[n-]2)C1)C(C)(F)F ZINC001573614370 947583538 /nfs/dbraw/zinc/58/35/38/947583538.db2.gz DPXVNLWUSUKNFC-WDEREUQCSA-N -1 1 380.403 1.233 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CN(C)c2nccnc2-c2nn[n-]n2)C1)C(C)(F)F ZINC001573614370 947583549 /nfs/dbraw/zinc/58/35/49/947583549.db2.gz DPXVNLWUSUKNFC-WDEREUQCSA-N -1 1 380.403 1.233 20 0 GDADMM C[C@H](C(=O)N1CC[C@](C)(CNc2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001573614999 947595912 /nfs/dbraw/zinc/59/59/12/947595912.db2.gz OZRJFKKHMMFHKP-YMTOWFKASA-N -1 1 384.366 1.506 20 0 GDADMM C[C@H](C(=O)N1CC[C@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001573614999 947595922 /nfs/dbraw/zinc/59/59/22/947595922.db2.gz OZRJFKKHMMFHKP-YMTOWFKASA-N -1 1 384.366 1.506 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@](C)(CNc2ccc(-c3nnn[n-]3)nn2)C1)c1ccco1 ZINC001573615601 947607029 /nfs/dbraw/zinc/60/70/29/947607029.db2.gz SXYRWBWETZOIPC-XIKOKIGWSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C1)c1ccco1 ZINC001573615601 947607035 /nfs/dbraw/zinc/60/70/35/947607035.db2.gz SXYRWBWETZOIPC-XIKOKIGWSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@@H](C(=O)N1CCC(C)(Nc2ccc(-c3nnn[n-]3)nn2)CC1)[C@@H]1CCCO1 ZINC001573615730 947611169 /nfs/dbraw/zinc/61/11/69/947611169.db2.gz KBVHDBFXTJFINC-OCCSQVGLSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H](C(=O)N1CCC(C)(Nc2ccc(-c3nn[n-]n3)nn2)CC1)[C@@H]1CCCO1 ZINC001573615730 947611178 /nfs/dbraw/zinc/61/11/78/947611178.db2.gz KBVHDBFXTJFINC-OCCSQVGLSA-N -1 1 386.460 1.265 20 0 GDADMM C=Cc1ccc(C(=O)NCC2CCN(c3nccnc3-c3nnn[n-]3)CC2)cc1 ZINC001573355879 947645115 /nfs/dbraw/zinc/64/51/15/947645115.db2.gz RTBIGVIHMCZVCV-UHFFFAOYSA-N -1 1 390.451 1.946 20 0 GDADMM C=Cc1ccc(C(=O)NCC2CCN(c3nccnc3-c3nn[n-]n3)CC2)cc1 ZINC001573355879 947645121 /nfs/dbraw/zinc/64/51/21/947645121.db2.gz RTBIGVIHMCZVCV-UHFFFAOYSA-N -1 1 390.451 1.946 20 0 GDADMM C=Cc1ccc(C(=O)N2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)CC2)cc1 ZINC001573355958 947648710 /nfs/dbraw/zinc/64/87/10/947648710.db2.gz UALNHILEXCLHAG-UHFFFAOYSA-N -1 1 376.424 1.571 20 0 GDADMM C=Cc1ccc(C(=O)N2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)CC2)cc1 ZINC001573355958 947648719 /nfs/dbraw/zinc/64/87/19/947648719.db2.gz UALNHILEXCLHAG-UHFFFAOYSA-N -1 1 376.424 1.571 20 0 GDADMM C/C(=C\C(=O)N(C)C[C@H](O)CNc1snc(C)c1-c1nn[n-]n1)C1CC1 ZINC001573357927 947654374 /nfs/dbraw/zinc/65/43/74/947654374.db2.gz COJQNGBDBHZFFK-UVMWJGKXSA-N -1 1 377.474 1.219 20 0 GDADMM C=Cc1ccc(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)[C@@H]2C)cc1 ZINC001573359449 947685052 /nfs/dbraw/zinc/68/50/52/947685052.db2.gz UCWIYJXKDIWECC-DOMZBBRYSA-N -1 1 376.424 1.697 20 0 GDADMM C=Cc1ccc(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)[C@@H]2C)cc1 ZINC001573359449 947685060 /nfs/dbraw/zinc/68/50/60/947685060.db2.gz UCWIYJXKDIWECC-DOMZBBRYSA-N -1 1 376.424 1.697 20 0 GDADMM C=Cc1ccc(C(=O)NCCN(c2cnc(-c3nnn[n-]3)cn2)C2CC2)cc1 ZINC001573359442 947686167 /nfs/dbraw/zinc/68/61/67/947686167.db2.gz TVIXXMGWPROVOA-UHFFFAOYSA-N -1 1 376.424 1.699 20 0 GDADMM C=Cc1ccc(C(=O)NCCN(c2cnc(-c3nn[n-]n3)cn2)C2CC2)cc1 ZINC001573359442 947686172 /nfs/dbraw/zinc/68/61/72/947686172.db2.gz TVIXXMGWPROVOA-UHFFFAOYSA-N -1 1 376.424 1.699 20 0 GDADMM C/C(=C/C(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2)C1CC1 ZINC001573361670 947694873 /nfs/dbraw/zinc/69/48/73/947694873.db2.gz DOPKJLBDMXCJFH-GAJOTYCWSA-N -1 1 380.456 1.488 20 0 GDADMM C/C(=C/C(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2)C1CC1 ZINC001573361670 947694882 /nfs/dbraw/zinc/69/48/82/947694882.db2.gz DOPKJLBDMXCJFH-GAJOTYCWSA-N -1 1 380.456 1.488 20 0 GDADMM C/C(=C/C(=O)N[C@]12CCC[C@H]1N(c1nccnc1-c1nnn[n-]1)CC2)C1CC1 ZINC001573363453 947713417 /nfs/dbraw/zinc/71/34/17/947713417.db2.gz NYKMCBVCXLAEDQ-WPPGCUNRSA-N -1 1 380.456 1.631 20 0 GDADMM C/C(=C/C(=O)N[C@]12CCC[C@H]1N(c1nccnc1-c1nn[n-]n1)CC2)C1CC1 ZINC001573363453 947713423 /nfs/dbraw/zinc/71/34/23/947713423.db2.gz NYKMCBVCXLAEDQ-WPPGCUNRSA-N -1 1 380.456 1.631 20 0 GDADMM C[C@H](C(=O)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1)c1cccs1 ZINC001573626876 947714869 /nfs/dbraw/zinc/71/48/69/947714869.db2.gz WZKRNWHDWWBWHS-NSHDSACASA-N -1 1 384.469 1.925 20 0 GDADMM C[C@H](C(=O)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1)c1cccs1 ZINC001573626876 947714884 /nfs/dbraw/zinc/71/48/84/947714884.db2.gz WZKRNWHDWWBWHS-NSHDSACASA-N -1 1 384.469 1.925 20 0 GDADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1cccc(-c2ncn(C)n2)c1 ZINC000826256187 947739321 /nfs/dbraw/zinc/73/93/21/947739321.db2.gz XVPWSCNXBHGAKR-UHFFFAOYSA-N -1 1 396.436 1.771 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001573628319 947754034 /nfs/dbraw/zinc/75/40/34/947754034.db2.gz KTBVCJGSJNKIAM-GHMZBOCLSA-N -1 1 380.403 1.163 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]2[C@@H]1CCN2c1nccnc1-c1nnn[n-]1)C(C)(F)F ZINC001573628546 947757568 /nfs/dbraw/zinc/75/75/68/947757568.db2.gz MSKVCHRUBIRQHQ-WOPDTQHZSA-N -1 1 392.414 1.518 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]2[C@@H]1CCN2c1nccnc1-c1nn[n-]n1)C(C)(F)F ZINC001573628546 947757574 /nfs/dbraw/zinc/75/75/74/947757574.db2.gz MSKVCHRUBIRQHQ-WOPDTQHZSA-N -1 1 392.414 1.518 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1)C1CC1 ZINC001573628478 947758181 /nfs/dbraw/zinc/75/81/81/947758181.db2.gz LPKNBKHZQISADT-BFUOFWGJSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1)C1CC1 ZINC001573628478 947758188 /nfs/dbraw/zinc/75/81/88/947758188.db2.gz LPKNBKHZQISADT-BFUOFWGJSA-N -1 1 382.472 1.522 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@@](C)(CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573367386 947759585 /nfs/dbraw/zinc/75/95/85/947759585.db2.gz CGVHTDJFYLZXBW-SFHVURJKSA-N -1 1 386.460 1.375 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@@](C)(CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573367386 947759594 /nfs/dbraw/zinc/75/95/94/947759594.db2.gz CGVHTDJFYLZXBW-SFHVURJKSA-N -1 1 386.460 1.375 20 0 GDADMM CC(=O)CCCC(=O)N(C)CC(C)(C)CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573367522 947760788 /nfs/dbraw/zinc/76/07/88/947760788.db2.gz DLLZUDHZBJJTDT-UHFFFAOYSA-N -1 1 388.476 1.621 20 0 GDADMM CC(=O)CCCC(=O)N(C)CC(C)(C)CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573367522 947760791 /nfs/dbraw/zinc/76/07/91/947760791.db2.gz DLLZUDHZBJJTDT-UHFFFAOYSA-N -1 1 388.476 1.621 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]2[C@H]1CCN2c1cnc(-c2nnn[n-]2)cn1)C(C)(F)F ZINC001573628660 947761349 /nfs/dbraw/zinc/76/13/49/947761349.db2.gz NECONYRIEUPCEM-RAIGVLPGSA-N -1 1 392.414 1.518 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]2[C@H]1CCN2c1cnc(-c2nn[n-]n2)cn1)C(C)(F)F ZINC001573628660 947761354 /nfs/dbraw/zinc/76/13/54/947761354.db2.gz NECONYRIEUPCEM-RAIGVLPGSA-N -1 1 392.414 1.518 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nnn[n-]3)nn2)C1)C(C)(C)C ZINC001573628736 947763702 /nfs/dbraw/zinc/76/37/02/947763702.db2.gz JQXLFUHSJJGRKW-KZULUSFZSA-N -1 1 388.476 1.104 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nn[n-]n3)nn2)C1)C(C)(C)C ZINC001573628736 947763711 /nfs/dbraw/zinc/76/37/11/947763711.db2.gz JQXLFUHSJJGRKW-KZULUSFZSA-N -1 1 388.476 1.104 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1)c1ccco1 ZINC001573629041 947770799 /nfs/dbraw/zinc/77/07/99/947770799.db2.gz QGALOUKOMXOBPS-QWHCGFSZSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1)c1ccco1 ZINC001573629041 947770809 /nfs/dbraw/zinc/77/08/09/947770809.db2.gz QGALOUKOMXOBPS-QWHCGFSZSA-N -1 1 382.428 1.846 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@H]1[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001573373747 947800125 /nfs/dbraw/zinc/80/01/25/947800125.db2.gz LCOQDLBDLAZYIN-ZFWWWQNUSA-N -1 1 386.460 1.598 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@H]1[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001573373747 947800135 /nfs/dbraw/zinc/80/01/35/947800135.db2.gz LCOQDLBDLAZYIN-ZFWWWQNUSA-N -1 1 386.460 1.598 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cccs1 ZINC001573637419 947813055 /nfs/dbraw/zinc/81/30/55/947813055.db2.gz CEVODGQKCMTOPV-VXGBXAGGSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cccs1 ZINC001573637419 947813064 /nfs/dbraw/zinc/81/30/64/947813064.db2.gz CEVODGQKCMTOPV-VXGBXAGGSA-N -1 1 384.469 1.925 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573375622 947823587 /nfs/dbraw/zinc/82/35/87/947823587.db2.gz POSAULQYXPMPGG-GFCCVEGCSA-N -1 1 377.474 1.476 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CCCC1 ZINC001573375653 947824320 /nfs/dbraw/zinc/82/43/20/947824320.db2.gz PWDQEWGYTOLBKD-HNNXBMFYSA-N -1 1 386.460 1.503 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CCCC1 ZINC001573375653 947824329 /nfs/dbraw/zinc/82/43/29/947824329.db2.gz PWDQEWGYTOLBKD-HNNXBMFYSA-N -1 1 386.460 1.503 20 0 GDADMM CC(=O)CCCC(=O)N[C@H](C)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573378292 947854189 /nfs/dbraw/zinc/85/41/89/947854189.db2.gz YHVQGVZDAHOAFW-KGLIPLIRSA-N -1 1 386.460 1.137 20 0 GDADMM CC(=O)CCCC(=O)NC[C@@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573380539 947861868 /nfs/dbraw/zinc/86/18/68/947861868.db2.gz FBJFINVCSACZJR-ZDUSSCGKSA-N -1 1 391.501 1.724 20 0 GDADMM CC(=O)CCCC(=O)NCC1(Nc2snc(C)c2-c2nn[n-]n2)CCC1 ZINC001573380727 947862655 /nfs/dbraw/zinc/86/26/55/947862655.db2.gz GXFNBLMBBQUEOO-UHFFFAOYSA-N -1 1 377.474 1.842 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1F ZINC001573645839 947871419 /nfs/dbraw/zinc/87/14/19/947871419.db2.gz BTLJNXQBHUTSHX-RYUDHWBXSA-N -1 1 382.403 1.034 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1)C(F)(F)F ZINC001573647011 947881742 /nfs/dbraw/zinc/88/17/42/947881742.db2.gz AAYDRBQFLWNYNV-OPRDCNLKSA-N -1 1 384.366 1.362 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1)C(F)(F)F ZINC001573647011 947881751 /nfs/dbraw/zinc/88/17/51/947881751.db2.gz AAYDRBQFLWNYNV-OPRDCNLKSA-N -1 1 384.366 1.362 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1)n1cccc1 ZINC001573650974 947916039 /nfs/dbraw/zinc/91/60/39/947916039.db2.gz GYFXCLCHDNDVRH-ZNMIVQPWSA-N -1 1 393.455 1.004 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1)n1cccc1 ZINC001573650974 947916041 /nfs/dbraw/zinc/91/60/41/947916041.db2.gz GYFXCLCHDNDVRH-ZNMIVQPWSA-N -1 1 393.455 1.004 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1)c1ccsc1 ZINC001573651964 947925492 /nfs/dbraw/zinc/92/54/92/947925492.db2.gz SATSXLUJVZDMTA-WXHSDQCUSA-N -1 1 382.453 1.311 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1)c1ccsc1 ZINC001573651964 947925497 /nfs/dbraw/zinc/92/54/97/947925497.db2.gz SATSXLUJVZDMTA-WXHSDQCUSA-N -1 1 382.453 1.311 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1)C1CCC1 ZINC001573652387 947938587 /nfs/dbraw/zinc/93/85/87/947938587.db2.gz YPNODJOUZJVYGM-YUELXQCFSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1)C1CCC1 ZINC001573652387 947938590 /nfs/dbraw/zinc/93/85/90/947938590.db2.gz YPNODJOUZJVYGM-YUELXQCFSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H](C(=O)N[C@@](C)(CNc1cncc(-c2nnn[n-]2)n1)C1CC1)c1ccco1 ZINC001573653104 947951331 /nfs/dbraw/zinc/95/13/31/947951331.db2.gz JAXBEFXYXJTYNY-ZMZPIMSZSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](C(=O)N[C@@](C)(CNc1cncc(-c2nn[n-]n2)n1)C1CC1)c1ccco1 ZINC001573653104 947951338 /nfs/dbraw/zinc/95/13/38/947951338.db2.gz JAXBEFXYXJTYNY-ZMZPIMSZSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](C(=O)N[C@](C)(CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)n1cccc1 ZINC001573654295 947966394 /nfs/dbraw/zinc/96/63/94/947966394.db2.gz QRYSXCWYBFDURH-KZULUSFZSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](C(=O)N[C@](C)(CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)n1cccc1 ZINC001573654295 947966405 /nfs/dbraw/zinc/96/64/05/947966405.db2.gz QRYSXCWYBFDURH-KZULUSFZSA-N -1 1 381.444 1.416 20 0 GDADMM Cc1nnccc1NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000826337758 947971986 /nfs/dbraw/zinc/97/19/86/947971986.db2.gz AAVPVMYHHMUWPU-UHFFFAOYSA-N -1 1 378.400 1.196 20 0 GDADMM Cc1nnccc1NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000826337758 947971995 /nfs/dbraw/zinc/97/19/95/947971995.db2.gz AAVPVMYHHMUWPU-UHFFFAOYSA-N -1 1 378.400 1.196 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)c1ccsc1 ZINC001573655413 947976630 /nfs/dbraw/zinc/97/66/30/947976630.db2.gz XGDOLQNNOPZYCS-ZWNOBZJWSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)c1ccsc1 ZINC001573655413 947976637 /nfs/dbraw/zinc/97/66/37/947976637.db2.gz XGDOLQNNOPZYCS-ZWNOBZJWSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C(C)(C)C)C(C)(F)F ZINC001573655551 947980089 /nfs/dbraw/zinc/98/00/89/947980089.db2.gz YFPNKISUGCDMAD-MWLCHTKSSA-N -1 1 382.419 1.891 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C(C)(C)C)C(C)(F)F ZINC001573655551 947980095 /nfs/dbraw/zinc/98/00/95/947980095.db2.gz YFPNKISUGCDMAD-MWLCHTKSSA-N -1 1 382.419 1.891 20 0 GDADMM Cc1onc(CC(=O)N(C)[C@@H]2CCN(c3ccccc3F)C2=O)c1-c1nnn[n-]1 ZINC000826343249 947989123 /nfs/dbraw/zinc/98/91/23/947989123.db2.gz SJUPCKDPVRJUNR-CQSZACIVSA-N -1 1 399.386 1.109 20 0 GDADMM Cc1onc(CC(=O)N(C)[C@@H]2CCN(c3ccccc3F)C2=O)c1-c1nn[n-]n1 ZINC000826343249 947989128 /nfs/dbraw/zinc/98/91/28/947989128.db2.gz SJUPCKDPVRJUNR-CQSZACIVSA-N -1 1 399.386 1.109 20 0 GDADMM Cc1onc(CC(=O)N(C)CCCc2nc3ccccc3[nH]2)c1-c1nnn[n-]1 ZINC000826343328 947989305 /nfs/dbraw/zinc/98/93/05/947989305.db2.gz WDKYRBYXUREVLY-UHFFFAOYSA-N -1 1 380.412 1.673 20 0 GDADMM Cc1onc(CC(=O)N(C)CCCc2nc3ccccc3[nH]2)c1-c1nn[n-]n1 ZINC000826343328 947989310 /nfs/dbraw/zinc/98/93/10/947989310.db2.gz WDKYRBYXUREVLY-UHFFFAOYSA-N -1 1 380.412 1.673 20 0 GDADMM C[C@@H](C(=O)NC1(C2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)CC1)C1CC1 ZINC001573657396 947999951 /nfs/dbraw/zinc/99/99/51/947999951.db2.gz NLNXGYQANVCMIU-GFCCVEGCSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](C(=O)NC1(C2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)CC1)C1CC1 ZINC001573657396 947999962 /nfs/dbraw/zinc/99/99/62/947999962.db2.gz NLNXGYQANVCMIU-GFCCVEGCSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](C(=O)NC1(C2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)CC1)C1CC1 ZINC001573657397 948000308 /nfs/dbraw/zinc/00/03/08/948000308.db2.gz NLNXGYQANVCMIU-LBPRGKRZSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](C(=O)NC1(C2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)CC1)C1CC1 ZINC001573657397 948000315 /nfs/dbraw/zinc/00/03/15/948000315.db2.gz NLNXGYQANVCMIU-LBPRGKRZSA-N -1 1 382.472 1.568 20 0 GDADMM Cc1onc(CC(=O)N2CCN(C/C=C\c3ccccc3)CC2)c1-c1nn[n-]n1 ZINC000826344438 948006081 /nfs/dbraw/zinc/00/60/81/948006081.db2.gz HUMDKAWTFHRZDH-YVMONPNESA-N -1 1 393.451 1.563 20 0 GDADMM Cc1onc(CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1-c1nn[n-]n1 ZINC000826344437 948007264 /nfs/dbraw/zinc/00/72/64/948007264.db2.gz HUMDKAWTFHRZDH-VMPITWQZSA-N -1 1 393.451 1.563 20 0 GDADMM Cc1onc(CC(=O)N2CCCC[C@H]2c2noc(C3CC3)n2)c1-c1nnn[n-]1 ZINC000826344381 948007844 /nfs/dbraw/zinc/00/78/44/948007844.db2.gz GKLMTVQVZWGPRG-LBPRGKRZSA-N -1 1 384.400 1.720 20 0 GDADMM Cc1onc(CC(=O)N2CCCC[C@H]2c2noc(C3CC3)n2)c1-c1nn[n-]n1 ZINC000826344381 948007852 /nfs/dbraw/zinc/00/78/52/948007852.db2.gz GKLMTVQVZWGPRG-LBPRGKRZSA-N -1 1 384.400 1.720 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1-c1nnn[n-]1 ZINC000826344576 948009718 /nfs/dbraw/zinc/00/97/18/948009718.db2.gz LNDGBFAQMUTPRD-LLVKDONJSA-N -1 1 391.432 1.221 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1-c1nn[n-]n1 ZINC000826344576 948009726 /nfs/dbraw/zinc/00/97/26/948009726.db2.gz LNDGBFAQMUTPRD-LLVKDONJSA-N -1 1 391.432 1.221 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2)C(C)(C)C ZINC001573661778 948021034 /nfs/dbraw/zinc/02/10/34/948021034.db2.gz AGCKMPALAIPXTQ-TZMCWYRMSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2)C(C)(C)C ZINC001573661778 948021042 /nfs/dbraw/zinc/02/10/42/948021042.db2.gz AGCKMPALAIPXTQ-TZMCWYRMSA-N -1 1 384.488 1.814 20 0 GDADMM Cc1onc(CC(=O)N[C@H](Cc2ccccc2)C(F)(F)F)c1-c1nnn[n-]1 ZINC000826345738 948028469 /nfs/dbraw/zinc/02/84/69/948028469.db2.gz SMYUETOGNHKAKS-GFCCVEGCSA-N -1 1 380.330 1.995 20 0 GDADMM Cc1onc(CC(=O)N[C@H](Cc2ccccc2)C(F)(F)F)c1-c1nn[n-]n1 ZINC000826345738 948028479 /nfs/dbraw/zinc/02/84/79/948028479.db2.gz SMYUETOGNHKAKS-GFCCVEGCSA-N -1 1 380.330 1.995 20 0 GDADMM C[C@H](C(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1)c1cccs1 ZINC001573664567 948058615 /nfs/dbraw/zinc/05/86/15/948058615.db2.gz VHMGTLCFMCPAHS-UNXYVOJBSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1)c1cccs1 ZINC001573664567 948058624 /nfs/dbraw/zinc/05/86/24/948058624.db2.gz VHMGTLCFMCPAHS-UNXYVOJBSA-N -1 1 384.469 1.829 20 0 GDADMM Cc1onc(CC(=O)NCc2ccc(C(=O)OC(C)(C)C)cc2)c1-c1nnn[n-]1 ZINC000826348033 948065249 /nfs/dbraw/zinc/06/52/49/948065249.db2.gz QSCCVEDKLXCJFR-UHFFFAOYSA-N -1 1 398.423 1.977 20 0 GDADMM Cc1onc(CC(=O)NCc2ccc(C(=O)OC(C)(C)C)cc2)c1-c1nn[n-]n1 ZINC000826348033 948065256 /nfs/dbraw/zinc/06/52/56/948065256.db2.gz QSCCVEDKLXCJFR-UHFFFAOYSA-N -1 1 398.423 1.977 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)c1-c1nnn[n-]1 ZINC000826348676 948081378 /nfs/dbraw/zinc/08/13/78/948081378.db2.gz YJOJZUVDSSDFLP-CQSZACIVSA-N -1 1 397.395 1.462 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)c1-c1nn[n-]n1 ZINC000826348676 948081389 /nfs/dbraw/zinc/08/13/89/948081389.db2.gz YJOJZUVDSSDFLP-CQSZACIVSA-N -1 1 397.395 1.462 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1)C(C)(F)F ZINC001573666619 948088464 /nfs/dbraw/zinc/08/84/64/948088464.db2.gz URGDQBGSVULTOQ-MNOVXSKESA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1)C(C)(F)F ZINC001573666619 948088471 /nfs/dbraw/zinc/08/84/71/948088471.db2.gz URGDQBGSVULTOQ-MNOVXSKESA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)c1ccco1 ZINC001573666866 948091637 /nfs/dbraw/zinc/09/16/37/948091637.db2.gz WXWPWNNZQQBSOV-QWHCGFSZSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)CC(C)(C)C1)C1CC1 ZINC001573673339 948113032 /nfs/dbraw/zinc/11/30/32/948113032.db2.gz KJWUDOJDXJBWFR-OCCSQVGLSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)CC(C)(C)C1)C1CC1 ZINC001573673339 948113036 /nfs/dbraw/zinc/11/30/36/948113036.db2.gz KJWUDOJDXJBWFR-OCCSQVGLSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1)C(C)(F)F ZINC001573673907 948115786 /nfs/dbraw/zinc/11/57/86/948115786.db2.gz MCFSGPBMLFCNIC-RQJHMYQMSA-N -1 1 391.835 1.963 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1)C(C)(F)F ZINC001573673907 948115793 /nfs/dbraw/zinc/11/57/93/948115793.db2.gz MCFSGPBMLFCNIC-RQJHMYQMSA-N -1 1 391.835 1.963 20 0 GDADMM C[C@H](CNC(=O)[C@H](C)c1cccc(F)c1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001573680013 948171658 /nfs/dbraw/zinc/17/16/58/948171658.db2.gz NZLYNIOLFQBHCF-VXGBXAGGSA-N -1 1 384.419 1.540 20 0 GDADMM C[C@H](CNC(=O)[C@H](C)c1cccc(F)c1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001573680013 948171664 /nfs/dbraw/zinc/17/16/64/948171664.db2.gz NZLYNIOLFQBHCF-VXGBXAGGSA-N -1 1 384.419 1.540 20 0 GDADMM C[C@H](C(=O)NC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)c1ccccc1)C1CC1 ZINC001573680154 948173800 /nfs/dbraw/zinc/17/38/00/948173800.db2.gz MFAMMTGRFRRSAV-SWLSCSKDSA-N -1 1 378.440 1.972 20 0 GDADMM C[C@H](C(=O)NC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)c1ccccc1)C1CC1 ZINC001573680154 948173803 /nfs/dbraw/zinc/17/38/03/948173803.db2.gz MFAMMTGRFRRSAV-SWLSCSKDSA-N -1 1 378.440 1.972 20 0 GDADMM C[C@@H](C(=O)NC[C@@H](CO)Nc1nc(Cl)c(-c2nnn[n-]2)s1)C(C)(C)C ZINC001573680478 948180187 /nfs/dbraw/zinc/18/01/87/948180187.db2.gz NZGWUHFEYQQZTL-YUMQZZPRSA-N -1 1 387.897 1.548 20 0 GDADMM C[C@@H](C(=O)NC[C@@H](CO)Nc1nc(Cl)c(-c2nn[n-]n2)s1)C(C)(C)C ZINC001573680478 948180195 /nfs/dbraw/zinc/18/01/95/948180195.db2.gz NZGWUHFEYQQZTL-YUMQZZPRSA-N -1 1 387.897 1.548 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C)n1cccc1 ZINC001573681105 948195635 /nfs/dbraw/zinc/19/56/35/948195635.db2.gz ULALULBOTZOTCS-STQMWFEESA-N -1 1 381.444 1.050 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCOCC1)C(C)(C)C ZINC001573691868 948248685 /nfs/dbraw/zinc/24/86/85/948248685.db2.gz JJXUSWWICRWVFS-LBPRGKRZSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCOCC1)C(C)(C)C ZINC001573691868 948248698 /nfs/dbraw/zinc/24/86/98/948248698.db2.gz JJXUSWWICRWVFS-LBPRGKRZSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@H](C(=O)NCC1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccsc1 ZINC001573695862 948311828 /nfs/dbraw/zinc/31/18/28/948311828.db2.gz JDGGNVKTZAVPQW-ZBOXLXRLSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NCC1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccsc1 ZINC001573695862 948311837 /nfs/dbraw/zinc/31/18/37/948311837.db2.gz JDGGNVKTZAVPQW-ZBOXLXRLSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)NCC1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccsc1 ZINC001573695860 948311856 /nfs/dbraw/zinc/31/18/56/948311856.db2.gz JDGGNVKTZAVPQW-XSRFYTQQSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)NCC1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccsc1 ZINC001573695860 948311867 /nfs/dbraw/zinc/31/18/67/948311867.db2.gz JDGGNVKTZAVPQW-XSRFYTQQSA-N -1 1 384.469 1.829 20 0 GDADMM COc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000328408167 971470274 /nfs/dbraw/zinc/47/02/74/971470274.db2.gz BNZXFLCKIMRGHV-UHFFFAOYSA-N -1 1 384.797 1.947 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1)c1ccsc1 ZINC001573701608 948339884 /nfs/dbraw/zinc/33/98/84/948339884.db2.gz BJDORFDKBPJANB-DGCLKSJQSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1)c1ccsc1 ZINC001573701608 948339896 /nfs/dbraw/zinc/33/98/96/948339896.db2.gz BJDORFDKBPJANB-DGCLKSJQSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)c1cccs1 ZINC001573704081 948364819 /nfs/dbraw/zinc/36/48/19/948364819.db2.gz OTXDLCSUGQIELY-NWDGAFQWSA-N -1 1 384.469 1.607 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000826472220 948369252 /nfs/dbraw/zinc/36/92/52/948369252.db2.gz CYYCECSGBYWFBR-LLVKDONJSA-N -1 1 392.345 1.954 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000826472220 948369261 /nfs/dbraw/zinc/36/92/61/948369261.db2.gz CYYCECSGBYWFBR-LLVKDONJSA-N -1 1 392.345 1.954 20 0 GDADMM O=C(c1cccc(NCc2ccnc(-c3nnn[n-]3)c2)c1)N1CCC[C@@H](CO)C1 ZINC000826474107 948373364 /nfs/dbraw/zinc/37/33/64/948373364.db2.gz AKJOUEGTAKOVIX-OAHLLOKOSA-N -1 1 393.451 1.718 20 0 GDADMM O=C(c1cccc(NCc2ccnc(-c3nn[n-]n3)c2)c1)N1CCC[C@@H](CO)C1 ZINC000826474107 948373369 /nfs/dbraw/zinc/37/33/69/948373369.db2.gz AKJOUEGTAKOVIX-OAHLLOKOSA-N -1 1 393.451 1.718 20 0 GDADMM O=S(=O)(NCCc1cc(F)cc(F)c1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826491286 948404693 /nfs/dbraw/zinc/40/46/93/948404693.db2.gz AYDMFEZOYFGXOK-UHFFFAOYSA-N -1 1 383.355 1.805 20 0 GDADMM O=S(=O)(NCCc1cc(F)cc(F)c1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826491286 948404699 /nfs/dbraw/zinc/40/46/99/948404699.db2.gz AYDMFEZOYFGXOK-UHFFFAOYSA-N -1 1 383.355 1.805 20 0 GDADMM C[C@H](C(=O)NCCC1CCN(c2nccnc2-c2nnn[n-]2)CC1)C1CCC1 ZINC001573713771 948467602 /nfs/dbraw/zinc/46/76/02/948467602.db2.gz BMKBGPIGKLHIKL-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NCCC1CCN(c2nccnc2-c2nn[n-]n2)CC1)C1CCC1 ZINC001573713771 948467609 /nfs/dbraw/zinc/46/76/09/948467609.db2.gz BMKBGPIGKLHIKL-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NCC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001573713827 948468153 /nfs/dbraw/zinc/46/81/53/948468153.db2.gz BWJFMLREUCZDSO-KGLIPLIRSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@H](C(=O)NCC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001573713827 948468159 /nfs/dbraw/zinc/46/81/59/948468159.db2.gz BWJFMLREUCZDSO-KGLIPLIRSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](C(=O)NCC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001573714297 948470665 /nfs/dbraw/zinc/47/06/65/948470665.db2.gz FLLWRIZKYXMACP-UONOGXRCSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](C(=O)NCC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001573715522 948491931 /nfs/dbraw/zinc/49/19/31/948491931.db2.gz YBCZVWLDCTWHCQ-UONOGXRCSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](C(=O)NCC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001573715522 948491940 /nfs/dbraw/zinc/49/19/40/948491940.db2.gz YBCZVWLDCTWHCQ-UONOGXRCSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1snc(Cl)c1-c1nnn[n-]1)c1cccnc1 ZINC001573718053 948513654 /nfs/dbraw/zinc/51/36/54/948513654.db2.gz GZVOQZKDPXKZBG-VIFPVBQESA-N -1 1 392.876 1.728 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1snc(Cl)c1-c1nn[n-]n1)c1cccnc1 ZINC001573718053 948513660 /nfs/dbraw/zinc/51/36/60/948513660.db2.gz GZVOQZKDPXKZBG-VIFPVBQESA-N -1 1 392.876 1.728 20 0 GDADMM C[C@@H](C(=O)NCC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C)C(C)(C)C ZINC001573718763 948519107 /nfs/dbraw/zinc/51/91/07/948519107.db2.gz RZKHWOBHCHKYQX-HZSPNIEDSA-N -1 1 386.504 1.918 20 0 GDADMM C[C@@H](C(=O)NCC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C)C(C)(C)C ZINC001573718763 948519112 /nfs/dbraw/zinc/51/91/12/948519112.db2.gz RZKHWOBHCHKYQX-HZSPNIEDSA-N -1 1 386.504 1.918 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1nc(-c2nn[n-]n2)c(Cl)s1)[C@H]1CCCO1 ZINC001573719754 948528459 /nfs/dbraw/zinc/52/84/59/948528459.db2.gz OYDBBHKNZYPRLW-RKDXNWHRSA-N -1 1 385.881 1.344 20 0 GDADMM C[C@@H](C(=O)N[C@@H](C)CNc1nccnc1-c1nnn[n-]1)c1ccc(F)c(F)c1 ZINC001573732841 948609512 /nfs/dbraw/zinc/60/95/12/948609512.db2.gz ZGTWAHQWXVJYFA-VHSXEESVSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@@H](C(=O)N[C@@H](C)CNc1nccnc1-c1nn[n-]n1)c1ccc(F)c(F)c1 ZINC001573732841 948609516 /nfs/dbraw/zinc/60/95/16/948609516.db2.gz ZGTWAHQWXVJYFA-VHSXEESVSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC001573736262 948614486 /nfs/dbraw/zinc/61/44/86/948614486.db2.gz LUQRGGXDHMBKJG-JHJVBQTASA-N -1 1 382.428 1.893 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC001573736262 948614493 /nfs/dbraw/zinc/61/44/93/948614493.db2.gz LUQRGGXDHMBKJG-JHJVBQTASA-N -1 1 382.428 1.893 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)C[C@H]1C)C1CC1 ZINC001573740475 948636438 /nfs/dbraw/zinc/63/64/38/948636438.db2.gz PTRYRAYJCUKTJD-KHQFGBGNSA-N -1 1 381.893 1.964 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)C[C@H]1C)C1CC1 ZINC001573740475 948636443 /nfs/dbraw/zinc/63/64/43/948636443.db2.gz PTRYRAYJCUKTJD-KHQFGBGNSA-N -1 1 381.893 1.964 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H](C)c1c(F)cccc1F ZINC001573740984 948646737 /nfs/dbraw/zinc/64/67/37/948646737.db2.gz VWHHNGKWCWAXGL-ZJUUUORDSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H](C)c1c(F)cccc1F ZINC001573740984 948646740 /nfs/dbraw/zinc/64/67/40/948646740.db2.gz VWHHNGKWCWAXGL-ZJUUUORDSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1)C1CCCC1 ZINC001573740996 948647692 /nfs/dbraw/zinc/64/76/92/948647692.db2.gz WDJLIRJAFCQUFN-NGFQHRJXSA-N -1 1 382.472 1.709 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1)C1CCCC1 ZINC001573740996 948647700 /nfs/dbraw/zinc/64/77/00/948647700.db2.gz WDJLIRJAFCQUFN-NGFQHRJXSA-N -1 1 382.472 1.709 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1ccsc1 ZINC001573745624 948674191 /nfs/dbraw/zinc/67/41/91/948674191.db2.gz FOXMKQSEQULAMY-NQBHXWOUSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1ccsc1 ZINC001573745624 948674196 /nfs/dbraw/zinc/67/41/96/948674196.db2.gz FOXMKQSEQULAMY-NQBHXWOUSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CC1)n1cccc1 ZINC001573746866 948685908 /nfs/dbraw/zinc/68/59/08/948685908.db2.gz QARKYHQBGYHLGA-IHRRRGAJSA-N -1 1 381.444 1.559 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CC1)n1cccc1 ZINC001573746866 948685915 /nfs/dbraw/zinc/68/59/15/948685915.db2.gz QARKYHQBGYHLGA-IHRRRGAJSA-N -1 1 381.444 1.559 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1)C(C)(F)F ZINC001573751525 948702973 /nfs/dbraw/zinc/70/29/73/948702973.db2.gz APJLRCQQDGUCQJ-LSKIRQOJSA-N -1 1 378.387 1.174 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1)C(C)(F)F ZINC001573751525 948702977 /nfs/dbraw/zinc/70/29/77/948702977.db2.gz APJLRCQQDGUCQJ-LSKIRQOJSA-N -1 1 378.387 1.174 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001573753388 948718165 /nfs/dbraw/zinc/71/81/65/948718165.db2.gz SRIDTBJXOCVFQX-DKIAZLNASA-N -1 1 382.350 1.081 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573753388 948718168 /nfs/dbraw/zinc/71/81/68/948718168.db2.gz SRIDTBJXOCVFQX-DKIAZLNASA-N -1 1 382.350 1.081 20 0 GDADMM CC(C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)=C1CCCC1 ZINC001573753595 948719065 /nfs/dbraw/zinc/71/90/65/948719065.db2.gz VRKUGZKWFUZHKE-YCPHGPKFSA-N -1 1 380.456 1.773 20 0 GDADMM CC(C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)=C1CCCC1 ZINC001573753595 948719071 /nfs/dbraw/zinc/71/90/71/948719071.db2.gz VRKUGZKWFUZHKE-YCPHGPKFSA-N -1 1 380.456 1.773 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001575221822 948752138 /nfs/dbraw/zinc/75/21/38/948752138.db2.gz DIDYGPORUQXCNA-MGCOHNPYSA-N -1 1 378.387 1.399 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001575221822 948752151 /nfs/dbraw/zinc/75/21/51/948752151.db2.gz DIDYGPORUQXCNA-MGCOHNPYSA-N -1 1 378.387 1.399 20 0 GDADMM CC(C)c1ccc(C(=O)NCC2(Nc3cncc(-c4nnn[n-]4)n3)CC2)cn1 ZINC001574416608 948753384 /nfs/dbraw/zinc/75/33/84/948753384.db2.gz ZNDBGGBYVDUEPE-UHFFFAOYSA-N -1 1 379.428 1.550 20 0 GDADMM CC(C)c1ccc(C(=O)NCC2(Nc3cncc(-c4nn[n-]n4)n3)CC2)cn1 ZINC001574416608 948753396 /nfs/dbraw/zinc/75/33/96/948753396.db2.gz ZNDBGGBYVDUEPE-UHFFFAOYSA-N -1 1 379.428 1.550 20 0 GDADMM CC(F)(F)C1(C(=O)NC2CCC(Nc3ccnc(-c4nn[n-]n4)n3)CC2)CC1 ZINC001575222284 948757389 /nfs/dbraw/zinc/75/73/89/948757389.db2.gz HTMFZQHMRXRUDX-UHFFFAOYSA-N -1 1 392.414 1.353 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001574416724 948759296 /nfs/dbraw/zinc/75/92/96/948759296.db2.gz FJRVLUVVHFACED-HNNXBMFYSA-N -1 1 378.440 1.789 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001574416724 948759313 /nfs/dbraw/zinc/75/93/13/948759313.db2.gz FJRVLUVVHFACED-HNNXBMFYSA-N -1 1 378.440 1.789 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@@H]2CCCCN2c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575222826 948760797 /nfs/dbraw/zinc/76/07/97/948760797.db2.gz LIVMHXQBDIOHLG-NSHDSACASA-N -1 1 392.414 1.567 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@@H]2CCCCN2c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575222826 948760812 /nfs/dbraw/zinc/76/08/12/948760812.db2.gz LIVMHXQBDIOHLG-NSHDSACASA-N -1 1 392.414 1.567 20 0 GDADMM C[C@H](CNC(=O)CCc1cccc(Cl)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574915716 948771079 /nfs/dbraw/zinc/77/10/79/948771079.db2.gz XCEOYIDRZHILTL-LLVKDONJSA-N -1 1 386.847 1.860 20 0 GDADMM C[C@H](CNC(=O)CCc1cccc(Cl)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574915716 948771089 /nfs/dbraw/zinc/77/10/89/948771089.db2.gz XCEOYIDRZHILTL-LLVKDONJSA-N -1 1 386.847 1.860 20 0 GDADMM CC(F)(F)CC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2 ZINC001575223903 948774347 /nfs/dbraw/zinc/77/43/47/948774347.db2.gz IKZDJAMDCBLIGG-QWRGUYRKSA-N -1 1 378.387 1.541 20 0 GDADMM CC(F)(F)CC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2 ZINC001575223903 948774352 /nfs/dbraw/zinc/77/43/52/948774352.db2.gz IKZDJAMDCBLIGG-QWRGUYRKSA-N -1 1 378.387 1.541 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001575223946 948775970 /nfs/dbraw/zinc/77/59/70/948775970.db2.gz QCROMZNZZODAKZ-LLVKDONJSA-N -1 1 392.414 1.425 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001575223946 948775984 /nfs/dbraw/zinc/77/59/84/948775984.db2.gz QCROMZNZZODAKZ-LLVKDONJSA-N -1 1 392.414 1.425 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCCC[C@H]2CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575223995 948777214 /nfs/dbraw/zinc/77/72/14/948777214.db2.gz SFINBQBYGNVFLA-NSHDSACASA-N -1 1 392.414 1.885 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCCC[C@H]2CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575223995 948777224 /nfs/dbraw/zinc/77/72/24/948777224.db2.gz SFINBQBYGNVFLA-NSHDSACASA-N -1 1 392.414 1.885 20 0 GDADMM CC(C)c1cccc(C(=O)N(C)CCN(C)c2ccnc(-c3nn[n-]n3)n2)c1 ZINC001574418533 948778733 /nfs/dbraw/zinc/77/87/33/948778733.db2.gz XUPOSCLXAFSPAQ-UHFFFAOYSA-N -1 1 380.456 1.989 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001575224418 948786257 /nfs/dbraw/zinc/78/62/57/948786257.db2.gz WCTSTKYQFSGANG-SNVBAGLBSA-N -1 1 378.387 1.495 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001575224418 948786265 /nfs/dbraw/zinc/78/62/65/948786265.db2.gz WCTSTKYQFSGANG-SNVBAGLBSA-N -1 1 378.387 1.495 20 0 GDADMM CC(F)(F)C1(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575224501 948788163 /nfs/dbraw/zinc/78/81/63/948788163.db2.gz WUVAQTOQPDFYLE-PHIMTYICSA-N -1 1 390.398 1.272 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[C@H]1CCC(C)(C)CO1 ZINC001574680500 948810292 /nfs/dbraw/zinc/81/02/92/948810292.db2.gz HNODHQFXDHYVNM-QWHCGFSZSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[C@H]1CCC(C)(C)CO1 ZINC001574680500 948810310 /nfs/dbraw/zinc/81/03/10/948810310.db2.gz HNODHQFXDHYVNM-QWHCGFSZSA-N -1 1 388.476 1.559 20 0 GDADMM CC(F)(F)CC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001575226523 948816084 /nfs/dbraw/zinc/81/60/84/948816084.db2.gz NEGHOEYINDKKEO-PHIMTYICSA-N -1 1 378.387 1.272 20 0 GDADMM CC(F)(F)CC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001575226523 948816099 /nfs/dbraw/zinc/81/60/99/948816099.db2.gz NEGHOEYINDKKEO-PHIMTYICSA-N -1 1 378.387 1.272 20 0 GDADMM CC(F)(F)CC(=O)N1CCC(CCNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575226511 948816245 /nfs/dbraw/zinc/81/62/45/948816245.db2.gz MXFPYMFEHQPQGO-UHFFFAOYSA-N -1 1 380.403 1.165 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@]2(C1)CCCN(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001575226588 948822458 /nfs/dbraw/zinc/82/24/58/948822458.db2.gz NRXLRFFZZAVSCF-QGZVFWFLSA-N -1 1 392.414 1.521 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@]2(C1)CCCN(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001575226588 948822478 /nfs/dbraw/zinc/82/24/78/948822478.db2.gz NRXLRFFZZAVSCF-QGZVFWFLSA-N -1 1 392.414 1.521 20 0 GDADMM CC(C)c1ccoc1C(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001574421792 948822726 /nfs/dbraw/zinc/82/27/26/948822726.db2.gz PHDVNXFKRQEQCE-UHFFFAOYSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1ccoc1C(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001574421792 948822739 /nfs/dbraw/zinc/82/27/39/948822739.db2.gz PHDVNXFKRQEQCE-UHFFFAOYSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1nnsc1C(=O)N[C@@H](C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001574681725 948823449 /nfs/dbraw/zinc/82/34/49/948823449.db2.gz NGXRLVNYIAGSED-VIFPVBQESA-N -1 1 388.461 1.252 20 0 GDADMM CC(C)c1nnsc1C(=O)N[C@@H](C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001574681725 948823468 /nfs/dbraw/zinc/82/34/68/948823468.db2.gz NGXRLVNYIAGSED-VIFPVBQESA-N -1 1 388.461 1.252 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575227324 948826114 /nfs/dbraw/zinc/82/61/14/948826114.db2.gz SUOHNJSHZUNESN-FOGDFJRCSA-N -1 1 390.398 1.318 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575227324 948826132 /nfs/dbraw/zinc/82/61/32/948826132.db2.gz SUOHNJSHZUNESN-FOGDFJRCSA-N -1 1 390.398 1.318 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575227375 948828029 /nfs/dbraw/zinc/82/80/29/948828029.db2.gz VLWHNGAAPZWGLN-JLLWLGSASA-N -1 1 390.398 1.318 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575227375 948828047 /nfs/dbraw/zinc/82/80/47/948828047.db2.gz VLWHNGAAPZWGLN-JLLWLGSASA-N -1 1 390.398 1.318 20 0 GDADMM CC(F)(F)CC(=O)N[C@H]1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575229056 948834274 /nfs/dbraw/zinc/83/42/74/948834274.db2.gz ABHCRYGEHDIKGQ-XYPYZODXSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CC(=O)N[C@H]1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575229056 948834288 /nfs/dbraw/zinc/83/42/88/948834288.db2.gz ABHCRYGEHDIKGQ-XYPYZODXSA-N -1 1 380.403 1.789 20 0 GDADMM C[C@@H](CNC(=O)CCCc1cccs1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574918510 948848901 /nfs/dbraw/zinc/84/89/01/948848901.db2.gz LVRVDLQNMDHKOS-LBPRGKRZSA-N -1 1 386.485 1.682 20 0 GDADMM C[C@@H](CNC(=O)CCCc1cccs1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574918510 948848916 /nfs/dbraw/zinc/84/89/16/948848916.db2.gz LVRVDLQNMDHKOS-LBPRGKRZSA-N -1 1 386.485 1.682 20 0 GDADMM CC(C)c1nc(C(=O)N[C@H](C)[C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)cs1 ZINC001574424582 948856336 /nfs/dbraw/zinc/85/63/36/948856336.db2.gz QWGMSOVLJTWGIC-VHSXEESVSA-N -1 1 387.473 1.277 20 0 GDADMM C[C@H](CNC(=O)CCCc1ccccc1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574918761 948859448 /nfs/dbraw/zinc/85/94/48/948859448.db2.gz PWAQQYTYXYDHJG-AWEZNQCLSA-N -1 1 380.456 1.266 20 0 GDADMM CC(C)c1nc(C(=O)N(C)[C@H](C)CNc2cncc(-c3nnn[n-]3)n2)cs1 ZINC001574424776 948864664 /nfs/dbraw/zinc/86/46/64/948864664.db2.gz VAHGCJHOSKRVNW-SNVBAGLBSA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)c1nc(C(=O)N(C)[C@H](C)CNc2cncc(-c3nn[n-]n3)n2)cs1 ZINC001574424776 948864678 /nfs/dbraw/zinc/86/46/78/948864678.db2.gz VAHGCJHOSKRVNW-SNVBAGLBSA-N -1 1 387.473 1.809 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)Cc1ncc[nH]1 ZINC001574684486 948874563 /nfs/dbraw/zinc/87/45/63/948874563.db2.gz HIGPBTQERBQMJH-ZETCQYMHSA-N -1 1 381.853 1.249 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)Cc1ncc[nH]1 ZINC001574684486 948874576 /nfs/dbraw/zinc/87/45/76/948874576.db2.gz HIGPBTQERBQMJH-ZETCQYMHSA-N -1 1 381.853 1.249 20 0 GDADMM CC(F)(F)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1nccnc1-c1nnn[n-]1)C2 ZINC001575233090 948876796 /nfs/dbraw/zinc/87/67/96/948876796.db2.gz GSEZUOKDALDCGR-DCAQKATOSA-N -1 1 378.387 1.176 20 0 GDADMM CC(F)(F)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1nccnc1-c1nn[n-]n1)C2 ZINC001575233090 948876816 /nfs/dbraw/zinc/87/68/16/948876816.db2.gz GSEZUOKDALDCGR-DCAQKATOSA-N -1 1 378.387 1.176 20 0 GDADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@@]1(C)CCOC1 ZINC001574684672 948880231 /nfs/dbraw/zinc/88/02/31/948880231.db2.gz KOAYXEUPAMEJEP-CLAHSXSESA-N -1 1 385.881 1.710 20 0 GDADMM CC(F)(F)CC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001575233165 948884556 /nfs/dbraw/zinc/88/45/56/948884556.db2.gz HMVJYZJZGYGLIC-FGWVZKOKSA-N -1 1 378.387 1.318 20 0 GDADMM CC(F)(F)CC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001575233165 948884573 /nfs/dbraw/zinc/88/45/73/948884573.db2.gz HMVJYZJZGYGLIC-FGWVZKOKSA-N -1 1 378.387 1.318 20 0 GDADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)Cc1ccon1 ZINC001574684966 948897459 /nfs/dbraw/zinc/89/74/59/948897459.db2.gz PWDMHDYLFNHIFA-SSDOTTSWSA-N -1 1 382.837 1.514 20 0 GDADMM CC(C)[C@@]1(C)C[C@H]1C(=O)NCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574088021 948906660 /nfs/dbraw/zinc/90/66/60/948906660.db2.gz CVZXBLZFAUQQHQ-IFXJQAMLSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)[C@@]1(C)C[C@H]1C(=O)NCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574088021 948906670 /nfs/dbraw/zinc/90/66/70/948906670.db2.gz CVZXBLZFAUQQHQ-IFXJQAMLSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)c1ncc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)s1 ZINC001574427556 948906681 /nfs/dbraw/zinc/90/66/81/948906681.db2.gz HINRCEKAJFRHPB-UHFFFAOYSA-N -1 1 389.445 1.259 20 0 GDADMM CC(C)c1ncc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)s1 ZINC001574427556 948906693 /nfs/dbraw/zinc/90/66/93/948906693.db2.gz HINRCEKAJFRHPB-UHFFFAOYSA-N -1 1 389.445 1.259 20 0 GDADMM CC(C)c1ncc(Br)c(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)n1 ZINC001574427625 948907110 /nfs/dbraw/zinc/90/71/10/948907110.db2.gz JWVRDHZBFXQAEQ-UHFFFAOYSA-N -1 1 378.194 1.518 20 0 GDADMM CC(C)c1ncc(Br)c(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)n1 ZINC001574427625 948907120 /nfs/dbraw/zinc/90/71/20/948907120.db2.gz JWVRDHZBFXQAEQ-UHFFFAOYSA-N -1 1 378.194 1.518 20 0 GDADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)c1cncn1C ZINC001574685424 948908822 /nfs/dbraw/zinc/90/88/22/948908822.db2.gz VWDFTRVFKNDYHT-SSDOTTSWSA-N -1 1 381.853 1.331 20 0 GDADMM CC(C)c1ncc(C(=O)NC[C@H](C)N(C)c2nccnc2-c2nnn[n-]2)s1 ZINC001574428061 948921450 /nfs/dbraw/zinc/92/14/50/948921450.db2.gz YSYUKLOVQSVVLI-JTQLQIEISA-N -1 1 387.473 1.491 20 0 GDADMM CC(C)c1ncc(C(=O)NC[C@H](C)N(C)c2nccnc2-c2nn[n-]n2)s1 ZINC001574428061 948921464 /nfs/dbraw/zinc/92/14/64/948921464.db2.gz YSYUKLOVQSVVLI-JTQLQIEISA-N -1 1 387.473 1.491 20 0 GDADMM CC(F)(F)CC(=O)NC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001575235545 948922337 /nfs/dbraw/zinc/92/23/37/948922337.db2.gz WBFZTSBECLKANZ-LBPRGKRZSA-N -1 1 388.382 1.393 20 0 GDADMM CC(F)(F)CC(=O)NC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001575235542 948923720 /nfs/dbraw/zinc/92/37/20/948923720.db2.gz WBFZTSBECLKANZ-GFCCVEGCSA-N -1 1 388.382 1.393 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1)C1CC1 ZINC001573765788 948924579 /nfs/dbraw/zinc/92/45/79/948924579.db2.gz HBSYLLPXWMYIPK-OLZOCXBDSA-N -1 1 382.472 1.378 20 0 GDADMM CC(F)(F)CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001575235844 948928568 /nfs/dbraw/zinc/92/85/68/948928568.db2.gz RRYGTCMJXROBCB-TXEJJXNPSA-N -1 1 392.414 1.662 20 0 GDADMM CC(F)(F)CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001575235844 948928576 /nfs/dbraw/zinc/92/85/76/948928576.db2.gz RRYGTCMJXROBCB-TXEJJXNPSA-N -1 1 392.414 1.662 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@H]2[C@H](CCN2c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575235945 948931749 /nfs/dbraw/zinc/93/17/49/948931749.db2.gz SSNKWCQSDZADPA-YPMHNXCESA-N -1 1 392.414 1.519 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@H]2[C@H](CCN2c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575235945 948931759 /nfs/dbraw/zinc/93/17/59/948931759.db2.gz SSNKWCQSDZADPA-YPMHNXCESA-N -1 1 392.414 1.519 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cccnc1 ZINC001573766072 948933882 /nfs/dbraw/zinc/93/38/82/948933882.db2.gz XWQFLGYQQIPTPD-CYBMUJFWSA-N -1 1 379.428 1.042 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cccnc1 ZINC001573766072 948933888 /nfs/dbraw/zinc/93/38/88/948933888.db2.gz XWQFLGYQQIPTPD-CYBMUJFWSA-N -1 1 379.428 1.042 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1)C(F)F ZINC001573771231 948935579 /nfs/dbraw/zinc/93/55/79/948935579.db2.gz DDUZJMMMGHIXNC-ZJUUUORDSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1)C(F)F ZINC001573771231 948935595 /nfs/dbraw/zinc/93/55/95/948935595.db2.gz DDUZJMMMGHIXNC-ZJUUUORDSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@@H](CNC(=O)CCn1ccnc1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574923096 948936503 /nfs/dbraw/zinc/93/65/03/948936503.db2.gz DHGNDUYTAFIBFM-QMMMGPOBSA-N -1 1 381.853 1.180 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2 ZINC001575236875 948940347 /nfs/dbraw/zinc/94/03/47/948940347.db2.gz AVAIKGPKMMHBFV-NEPJUHHUSA-N -1 1 392.414 1.931 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2 ZINC001575236875 948940353 /nfs/dbraw/zinc/94/03/53/948940353.db2.gz AVAIKGPKMMHBFV-NEPJUHHUSA-N -1 1 392.414 1.931 20 0 GDADMM CC(F)(F)CCC(=O)NCCC1(CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001575237333 948943490 /nfs/dbraw/zinc/94/34/90/948943490.db2.gz FEJBFYXOGWJKLK-UHFFFAOYSA-N -1 1 380.403 1.791 20 0 GDADMM CC(F)(F)CCC(=O)NCCC1(CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001575237333 948943503 /nfs/dbraw/zinc/94/35/03/948943503.db2.gz FEJBFYXOGWJKLK-UHFFFAOYSA-N -1 1 380.403 1.791 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001575237895 948947039 /nfs/dbraw/zinc/94/70/39/948947039.db2.gz ITDCCRARKICRFR-GFCCVEGCSA-N -1 1 392.414 1.567 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001575237895 948947049 /nfs/dbraw/zinc/94/70/49/948947049.db2.gz ITDCCRARKICRFR-GFCCVEGCSA-N -1 1 392.414 1.567 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2 ZINC001575237992 948950856 /nfs/dbraw/zinc/95/08/56/948950856.db2.gz KJTOCUKTRPHGKW-QWRGUYRKSA-N -1 1 392.414 1.353 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)C(F)F ZINC001573772077 948952976 /nfs/dbraw/zinc/95/29/76/948952976.db2.gz QFOWWURMVFBWIM-UWVGGRQHSA-N -1 1 380.403 1.787 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)C(F)F ZINC001573772077 948952985 /nfs/dbraw/zinc/95/29/85/948952985.db2.gz QFOWWURMVFBWIM-UWVGGRQHSA-N -1 1 380.403 1.787 20 0 GDADMM CC(C)(C(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)c1ccccc1 ZINC001573772571 948961073 /nfs/dbraw/zinc/96/10/73/948961073.db2.gz VBZMVCCVTOXOGG-OAHLLOKOSA-N -1 1 392.467 1.941 20 0 GDADMM CC(C)(C(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)c1ccccc1 ZINC001573772571 948961085 /nfs/dbraw/zinc/96/10/85/948961085.db2.gz VBZMVCCVTOXOGG-OAHLLOKOSA-N -1 1 392.467 1.941 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@H](C)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574433839 948965872 /nfs/dbraw/zinc/96/58/72/948965872.db2.gz SBLDPWLBHAQIMG-NXEZZACHSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@H](C)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574433839 948965883 /nfs/dbraw/zinc/96/58/83/948965883.db2.gz SBLDPWLBHAQIMG-NXEZZACHSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)NCC1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574091046 949000696 /nfs/dbraw/zinc/00/06/96/949000696.db2.gz MPRQTWPXDFZEJB-UONOGXRCSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)NCCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574091042 949001551 /nfs/dbraw/zinc/00/15/51/949001551.db2.gz MPJSWNIVPJXVMH-HUUCEWRRSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)NCCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574091042 949001564 /nfs/dbraw/zinc/00/15/64/949001564.db2.gz MPJSWNIVPJXVMH-HUUCEWRRSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)(C(=O)NC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1)c1ccccc1 ZINC001573774586 949019431 /nfs/dbraw/zinc/01/94/31/949019431.db2.gz OHRMBZJPTATINF-HNNXBMFYSA-N -1 1 392.467 1.941 20 0 GDADMM CC(C)(C(=O)NC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1)c1ccccc1 ZINC001573774586 949019448 /nfs/dbraw/zinc/01/94/48/949019448.db2.gz OHRMBZJPTATINF-HNNXBMFYSA-N -1 1 392.467 1.941 20 0 GDADMM CC(C)(C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1)c1ccccc1 ZINC001573775456 949040843 /nfs/dbraw/zinc/04/08/43/949040843.db2.gz WXSCJDIETFQRKK-UHFFFAOYSA-N -1 1 378.440 1.695 20 0 GDADMM CC(C)(C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1)c1ccccc1 ZINC001573775456 949040860 /nfs/dbraw/zinc/04/08/60/949040860.db2.gz WXSCJDIETFQRKK-UHFFFAOYSA-N -1 1 378.440 1.695 20 0 GDADMM C[C@H](Sc1nnnn1C1CC1)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001575503370 949043119 /nfs/dbraw/zinc/04/31/19/949043119.db2.gz PGYBXBXGWGHUMD-ZETCQYMHSA-N -1 1 377.459 1.047 20 0 GDADMM CC(C)c1nocc1C(=O)N(C)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574441070 949049341 /nfs/dbraw/zinc/04/93/41/949049341.db2.gz ATNXQXGITGLHGA-NSHDSACASA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1nocc1C(=O)N(C)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574441070 949049363 /nfs/dbraw/zinc/04/93/63/949049363.db2.gz ATNXQXGITGLHGA-NSHDSACASA-N -1 1 383.416 1.119 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccnn1C1CCC1 ZINC001574693158 949049965 /nfs/dbraw/zinc/04/99/65/949049965.db2.gz BDQBZEJCARGBJI-NSHDSACASA-N -1 1 382.432 1.199 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccnn1C1CCC1 ZINC001574693158 949049990 /nfs/dbraw/zinc/04/99/90/949049990.db2.gz BDQBZEJCARGBJI-NSHDSACASA-N -1 1 382.432 1.199 20 0 GDADMM C[C@@H](CNC(=O)COC(C)(C)C)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574928296 949055043 /nfs/dbraw/zinc/05/50/43/949055043.db2.gz OMJRIBBPYCNHNH-QMMMGPOBSA-N -1 1 387.897 1.956 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)c1cn(C)cn1 ZINC001574694050 949066375 /nfs/dbraw/zinc/06/63/75/949066375.db2.gz KDBCHUQJRRJCJO-SSDOTTSWSA-N -1 1 381.853 1.331 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)c1cn(C)cn1 ZINC001574694050 949066395 /nfs/dbraw/zinc/06/63/95/949066395.db2.gz KDBCHUQJRRJCJO-SSDOTTSWSA-N -1 1 381.853 1.331 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1 ZINC001573779821 949070185 /nfs/dbraw/zinc/07/01/85/949070185.db2.gz NGJRAWILDGWQDI-AWEZNQCLSA-N -1 1 392.467 1.577 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1 ZINC001573779821 949070205 /nfs/dbraw/zinc/07/02/05/949070205.db2.gz NGJRAWILDGWQDI-AWEZNQCLSA-N -1 1 392.467 1.577 20 0 GDADMM CC(C)c1occc1C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574441765 949075498 /nfs/dbraw/zinc/07/54/98/949075498.db2.gz WLSCNWCCLPMUIK-GFCCVEGCSA-N -1 1 382.428 1.724 20 0 GDADMM CC(C)c1occc1C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574441765 949075520 /nfs/dbraw/zinc/07/55/20/949075520.db2.gz WLSCNWCCLPMUIK-GFCCVEGCSA-N -1 1 382.428 1.724 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCCCN1c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573779893 949077125 /nfs/dbraw/zinc/07/71/25/949077125.db2.gz OVESNOXYMBVTEH-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)NCC1=CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C1CCC1 ZINC001573780095 949081017 /nfs/dbraw/zinc/08/10/17/949081017.db2.gz RJWGZBJVSOEPEO-UHFFFAOYSA-N -1 1 382.472 1.736 20 0 GDADMM CC(C)(C(=O)NCC1=CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C1CCC1 ZINC001573780095 949081036 /nfs/dbraw/zinc/08/10/36/949081036.db2.gz RJWGZBJVSOEPEO-UHFFFAOYSA-N -1 1 382.472 1.736 20 0 GDADMM CC(C)c1nocc1C(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574442026 949089335 /nfs/dbraw/zinc/08/93/35/949089335.db2.gz JWNOFNCJDGWFRG-NSHDSACASA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)(C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCOCC1)C1CC1 ZINC001573780364 949091503 /nfs/dbraw/zinc/09/15/03/949091503.db2.gz XEVCTZCLMBDIFG-UHFFFAOYSA-N -1 1 386.460 1.170 20 0 GDADMM CC(C)(C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCOCC1)C1CC1 ZINC001573780364 949091521 /nfs/dbraw/zinc/09/15/21/949091521.db2.gz XEVCTZCLMBDIFG-UHFFFAOYSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](CN(C)C(=O)C(C)(C)C1CCOCC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574694837 949094309 /nfs/dbraw/zinc/09/43/09/949094309.db2.gz WVUUVPUISQBYKN-LBPRGKRZSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@@H](CN(C)C(=O)C(C)(C)C1CCOCC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574694837 949094329 /nfs/dbraw/zinc/09/43/29/949094329.db2.gz WVUUVPUISQBYKN-LBPRGKRZSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)(C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1)c1cccnc1 ZINC001573780386 949094513 /nfs/dbraw/zinc/09/45/13/949094513.db2.gz XUFKMHTVFPYEEW-UHFFFAOYSA-N -1 1 379.428 1.090 20 0 GDADMM CC(C)(C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1)c1cccnc1 ZINC001573780386 949094535 /nfs/dbraw/zinc/09/45/35/949094535.db2.gz XUFKMHTVFPYEEW-UHFFFAOYSA-N -1 1 379.428 1.090 20 0 GDADMM CC(C)(C(=O)NCCN(c1nccnc1-c1nnn[n-]1)C1CC1)c1ccccc1 ZINC001573781079 949100968 /nfs/dbraw/zinc/10/09/68/949100968.db2.gz BNECTMZAKCUKFN-UHFFFAOYSA-N -1 1 392.467 1.720 20 0 GDADMM CC(C)(C(=O)NCCN(c1nccnc1-c1nn[n-]n1)C1CC1)c1ccccc1 ZINC001573781079 949100978 /nfs/dbraw/zinc/10/09/78/949100978.db2.gz BNECTMZAKCUKFN-UHFFFAOYSA-N -1 1 392.467 1.720 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)[C@H]1CCCOC1 ZINC001574695200 949104064 /nfs/dbraw/zinc/10/40/64/949104064.db2.gz DYEVCOOLAZQJLE-BDAKNGLRSA-N -1 1 385.881 1.710 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@H]1CCCOC1 ZINC001574695200 949104077 /nfs/dbraw/zinc/10/40/77/949104077.db2.gz DYEVCOOLAZQJLE-BDAKNGLRSA-N -1 1 385.881 1.710 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H](C)NC(=O)C(C)(C)c1ccccc1 ZINC001575250326 949110011 /nfs/dbraw/zinc/11/00/11/949110011.db2.gz DUXRJWPENMRQKB-OLZOCXBDSA-N -1 1 380.456 1.940 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H](C)NC(=O)C(C)(C)c1ccccc1 ZINC001575250326 949110027 /nfs/dbraw/zinc/11/00/27/949110027.db2.gz DUXRJWPENMRQKB-OLZOCXBDSA-N -1 1 380.456 1.940 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C(F)F ZINC001573782333 949118903 /nfs/dbraw/zinc/11/89/03/949118903.db2.gz RZBPVZJFJATYJB-VHSXEESVSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C(F)F ZINC001573782333 949118919 /nfs/dbraw/zinc/11/89/19/949118919.db2.gz RZBPVZJFJATYJB-VHSXEESVSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)c1occc1C(=O)NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574446366 949128367 /nfs/dbraw/zinc/12/83/67/949128367.db2.gz NNLSJEUXKXSPTO-UHFFFAOYSA-N -1 1 382.428 1.416 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCOCC1 ZINC001574094251 949132097 /nfs/dbraw/zinc/13/20/97/949132097.db2.gz YHXQJTOLGVKAJI-QWHCGFSZSA-N -1 1 386.460 1.026 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCOCC1 ZINC001574094251 949132111 /nfs/dbraw/zinc/13/21/11/949132111.db2.gz YHXQJTOLGVKAJI-QWHCGFSZSA-N -1 1 386.460 1.026 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)c1cccnc1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575251450 949142285 /nfs/dbraw/zinc/14/22/85/949142285.db2.gz NHQSZTMAFALHTC-NWDGAFQWSA-N -1 1 381.444 1.335 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)c1cccnc1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575251450 949142277 /nfs/dbraw/zinc/14/22/77/949142277.db2.gz NHQSZTMAFALHTC-NWDGAFQWSA-N -1 1 381.444 1.335 20 0 GDADMM C[C@@H](NC(=O)C1(c2ccccc2)CCC1)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575251668 949145266 /nfs/dbraw/zinc/14/52/66/949145266.db2.gz BVZNWDNJLZGTTP-ZIAGYGMSSA-N -1 1 392.467 1.506 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cc(Cl)cs1 ZINC001574697004 949145815 /nfs/dbraw/zinc/14/58/15/949145815.db2.gz WZKWKPQJMWYJBX-QMMMGPOBSA-N -1 1 378.849 1.992 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cc(Cl)cs1 ZINC001574697004 949145830 /nfs/dbraw/zinc/14/58/30/949145830.db2.gz WZKWKPQJMWYJBX-QMMMGPOBSA-N -1 1 378.849 1.992 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1)C1CCC1 ZINC001573786797 949146699 /nfs/dbraw/zinc/14/66/99/949146699.db2.gz BUGMPLJZXLBDHY-IPYPFGDCSA-N -1 1 382.472 1.709 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1)C1CCC1 ZINC001573786797 949146703 /nfs/dbraw/zinc/14/67/03/949146703.db2.gz BUGMPLJZXLBDHY-IPYPFGDCSA-N -1 1 382.472 1.709 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001574696986 949148211 /nfs/dbraw/zinc/14/82/11/949148211.db2.gz WOBQVOWKYVNILL-IAMHBRQHSA-N -1 1 392.467 1.941 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001574696986 949148223 /nfs/dbraw/zinc/14/82/23/949148223.db2.gz WOBQVOWKYVNILL-IAMHBRQHSA-N -1 1 392.467 1.941 20 0 GDADMM C[C@H](NC(=O)C1(c2cccnc2)CC1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575251957 949153003 /nfs/dbraw/zinc/15/30/03/949153003.db2.gz CZYBCOYOKMBISS-RYUDHWBXSA-N -1 1 379.428 1.089 20 0 GDADMM C[C@H](NC(=O)C1(c2cccnc2)CC1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575251957 949153017 /nfs/dbraw/zinc/15/30/17/949153017.db2.gz CZYBCOYOKMBISS-RYUDHWBXSA-N -1 1 379.428 1.089 20 0 GDADMM CC(C)c1ocnc1C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574447364 949158107 /nfs/dbraw/zinc/15/81/07/949158107.db2.gz NPDWPFOETJCSFA-LLVKDONJSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1ocnc1C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574447364 949158120 /nfs/dbraw/zinc/15/81/20/949158120.db2.gz NPDWPFOETJCSFA-LLVKDONJSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)C[C@H]1O)C1CC1 ZINC001573787090 949163092 /nfs/dbraw/zinc/16/30/92/949163092.db2.gz NSVGMHCAPYAYBU-RKDXNWHRSA-N -1 1 397.892 1.079 20 0 GDADMM CC[C@]1(C(=O)[O-])CCCN(C(=O)Nc2cc(C(N)=O)ccc2CN(C)C)C1 ZINC001589597299 949167451 /nfs/dbraw/zinc/16/74/51/949167451.db2.gz GJVIZCQVVJUWIF-IBGZPJMESA-N -1 1 376.457 1.956 20 0 GDADMM CC(C)c1ocnc1C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574447659 949170156 /nfs/dbraw/zinc/17/01/56/949170156.db2.gz WDWATKSSJYIJCK-NSHDSACASA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1ocnc1C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574447659 949170172 /nfs/dbraw/zinc/17/01/72/949170172.db2.gz WDWATKSSJYIJCK-NSHDSACASA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1oncc1C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574447975 949172967 /nfs/dbraw/zinc/17/29/67/949172967.db2.gz AEKMFBDKEBFJKC-UHFFFAOYSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1oncc1C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574447975 949172977 /nfs/dbraw/zinc/17/29/77/949172977.db2.gz AEKMFBDKEBFJKC-UHFFFAOYSA-N -1 1 383.416 1.167 20 0 GDADMM C[C@H](NC(=O)C(C)(C)C1CC1)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575253006 949175605 /nfs/dbraw/zinc/17/56/05/949175605.db2.gz RJGSGWIMEWWWMH-QWHCGFSZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](NC(=O)C(C)(C)C1CC1)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575253006 949175624 /nfs/dbraw/zinc/17/56/24/949175624.db2.gz RJGSGWIMEWWWMH-QWHCGFSZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](NC(=O)C(C1CCC1)C1CCC1)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575253522 949189212 /nfs/dbraw/zinc/18/92/12/949189212.db2.gz UOXKBIPIWYCGIK-NWDGAFQWSA-N -1 1 384.488 1.600 20 0 GDADMM CC1(Nc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC001575853492 949212094 /nfs/dbraw/zinc/21/20/94/949212094.db2.gz SFHUCKBUXONIPY-UHFFFAOYSA-N -1 1 387.835 1.745 20 0 GDADMM CC1(Nc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC001575853492 949212120 /nfs/dbraw/zinc/21/21/20/949212120.db2.gz SFHUCKBUXONIPY-UHFFFAOYSA-N -1 1 387.835 1.745 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574451204 949220485 /nfs/dbraw/zinc/22/04/85/949220485.db2.gz HCCWXJOWELSFNY-SNVBAGLBSA-N -1 1 385.457 1.245 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574451204 949220514 /nfs/dbraw/zinc/22/05/14/949220514.db2.gz HCCWXJOWELSFNY-SNVBAGLBSA-N -1 1 385.457 1.245 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@H](C)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574451241 949220791 /nfs/dbraw/zinc/22/07/91/949220791.db2.gz HZHUYVKYAAIUJN-VHSXEESVSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@H](C)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574451241 949220811 /nfs/dbraw/zinc/22/08/11/949220811.db2.gz HZHUYVKYAAIUJN-VHSXEESVSA-N -1 1 387.473 1.856 20 0 GDADMM C[C@@H](NC(=O)C1(c2ccccc2)CC1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575255191 949224834 /nfs/dbraw/zinc/22/48/34/949224834.db2.gz PVCWBXYHTPLAKP-QWHCGFSZSA-N -1 1 378.440 1.694 20 0 GDADMM C[C@@H](NC(=O)C1(c2ccccc2)CC1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575255191 949224857 /nfs/dbraw/zinc/22/48/57/949224857.db2.gz PVCWBXYHTPLAKP-QWHCGFSZSA-N -1 1 378.440 1.694 20 0 GDADMM C[C@H]1CCC[C@@H](C(=O)N2C[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]3C2)C1 ZINC001576151679 949231684 /nfs/dbraw/zinc/23/16/84/949231684.db2.gz IANVOISOYDTTFM-LJISPDSOSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H]1CCC[C@@H](C(=O)N2C[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]3C2)C1 ZINC001576151679 949231705 /nfs/dbraw/zinc/23/17/05/949231705.db2.gz IANVOISOYDTTFM-LJISPDSOSA-N -1 1 382.472 1.378 20 0 GDADMM CC(C)c1scnc1C(=O)NCC=CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001574451465 949231813 /nfs/dbraw/zinc/23/18/13/949231813.db2.gz PYKAQCWNQVOJJK-ARJAWSKDSA-N -1 1 385.457 1.635 20 0 GDADMM CC(C)c1scnc1C(=O)NCC=CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001574451465 949231838 /nfs/dbraw/zinc/23/18/38/949231838.db2.gz PYKAQCWNQVOJJK-ARJAWSKDSA-N -1 1 385.457 1.635 20 0 GDADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)c2ccc(F)cn2)CC1 ZINC001575855828 949238228 /nfs/dbraw/zinc/23/82/28/949238228.db2.gz ASJLVWNQDAAGGT-UHFFFAOYSA-N -1 1 383.391 1.298 20 0 GDADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)c2ccc(F)cn2)CC1 ZINC001575855828 949238247 /nfs/dbraw/zinc/23/82/47/949238247.db2.gz ASJLVWNQDAAGGT-UHFFFAOYSA-N -1 1 383.391 1.298 20 0 GDADMM CC(C)(C(=O)N1CCC(C)(Nc2nccnc2-c2nnn[n-]2)CC1)C(F)F ZINC001575856993 949260217 /nfs/dbraw/zinc/26/02/17/949260217.db2.gz MNJZMKNGTOJCSI-UHFFFAOYSA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)(C(=O)N1CCC(C)(Nc2nccnc2-c2nn[n-]n2)CC1)C(F)F ZINC001575856993 949260236 /nfs/dbraw/zinc/26/02/36/949260236.db2.gz MNJZMKNGTOJCSI-UHFFFAOYSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](NC(=O)C1(CCF)CC1)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575256842 949262903 /nfs/dbraw/zinc/26/29/03/949262903.db2.gz XHAKYBBHSWIJJC-QWHCGFSZSA-N -1 1 388.451 1.518 20 0 GDADMM C[C@H](NC(=O)C1(CCF)CC1)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575256842 949262924 /nfs/dbraw/zinc/26/29/24/949262924.db2.gz XHAKYBBHSWIJJC-QWHCGFSZSA-N -1 1 388.451 1.518 20 0 GDADMM C[C@H](CNC(=O)Cc1cccnc1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574940503 949267516 /nfs/dbraw/zinc/26/75/16/949267516.db2.gz GHAFUDTVOIUSIE-SECBINFHSA-N -1 1 392.876 1.779 20 0 GDADMM C[C@H](CNC(=O)Cc1cccnc1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574940503 949267532 /nfs/dbraw/zinc/26/75/32/949267532.db2.gz GHAFUDTVOIUSIE-SECBINFHSA-N -1 1 392.876 1.779 20 0 GDADMM CC(C)(C)C(=O)N1CCC[C@@H]([C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001573792791 949269662 /nfs/dbraw/zinc/26/96/62/949269662.db2.gz VKKAYOZJJDXZOF-ZIAGYGMSSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)n1cc(C(=O)N(C)C2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)cn1 ZINC001574452819 949270047 /nfs/dbraw/zinc/27/00/47/949270047.db2.gz NGZGDYKNVFOUJX-UHFFFAOYSA-N -1 1 386.485 1.662 20 0 GDADMM C[C@H](NC(=O)C1CC(C)(C)C1)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575257575 949276012 /nfs/dbraw/zinc/27/60/12/949276012.db2.gz AUPWROZDKRBDOD-QWHCGFSZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](NC(=O)C1CC(C)(C)C1)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575257575 949276030 /nfs/dbraw/zinc/27/60/30/949276030.db2.gz AUPWROZDKRBDOD-QWHCGFSZSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)CC1 ZINC001575857729 949276235 /nfs/dbraw/zinc/27/62/35/949276235.db2.gz UIOOTCDDZVJTCC-RDBSUJKOSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)CC1 ZINC001575857729 949276258 /nfs/dbraw/zinc/27/62/58/949276258.db2.gz UIOOTCDDZVJTCC-RDBSUJKOSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@H]1CCC[C@H](OCC(=O)NCC2(Nc3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001576153126 949276934 /nfs/dbraw/zinc/27/69/34/949276934.db2.gz KVCMVFSSCZKKOK-STQMWFEESA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H]1CCC[C@H](OCC(=O)NCC2(Nc3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001576153126 949276957 /nfs/dbraw/zinc/27/69/57/949276957.db2.gz KVCMVFSSCZKKOK-STQMWFEESA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](NC(=O)C1CC2(C1)CCOCC2)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575257550 949277288 /nfs/dbraw/zinc/27/72/88/949277288.db2.gz AIBZQWJZPZAAAW-VXGBXAGGSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@@H](NC(=O)C1CC2(C1)CCOCC2)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575257550 949277308 /nfs/dbraw/zinc/27/73/08/949277308.db2.gz AIBZQWJZPZAAAW-VXGBXAGGSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccoc1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001574941154 949295137 /nfs/dbraw/zinc/29/51/37/949295137.db2.gz BFCLPWCYCGKONV-QMMMGPOBSA-N -1 1 381.849 1.977 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccoc1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001574941154 949295157 /nfs/dbraw/zinc/29/51/57/949295157.db2.gz BFCLPWCYCGKONV-QMMMGPOBSA-N -1 1 381.849 1.977 20 0 GDADMM CC(C)n1cc(C(=O)NC[C@H]2C[C@H](Nc3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001574455344 949298225 /nfs/dbraw/zinc/29/82/25/949298225.db2.gz NYUCGIGEXVGRJO-AULYBMBSSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cc(C(=O)NC[C@H]2C[C@H](Nc3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001574455344 949298245 /nfs/dbraw/zinc/29/82/45/949298245.db2.gz NYUCGIGEXVGRJO-AULYBMBSSA-N -1 1 382.432 1.055 20 0 GDADMM CC1=C(C)C[C@@H](C(=O)NC[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575860490 949301659 /nfs/dbraw/zinc/30/16/59/949301659.db2.gz JHJNEOYJURTNAB-GJZGRUSLSA-N -1 1 382.472 1.736 20 0 GDADMM CC1=C(C)C[C@H](C(=O)N(C)[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001575861222 949317766 /nfs/dbraw/zinc/31/77/66/949317766.db2.gz QJRWKDBCYYDTIZ-CABCVRRESA-N -1 1 382.472 1.830 20 0 GDADMM CC1=C(C)C[C@H](C(=O)N(C)[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001575861222 949317793 /nfs/dbraw/zinc/31/77/93/949317793.db2.gz QJRWKDBCYYDTIZ-CABCVRRESA-N -1 1 382.472 1.830 20 0 GDADMM CC(C)n1ccc(C(=O)NC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C2CC2)n1 ZINC001574457795 949330699 /nfs/dbraw/zinc/33/06/99/949330699.db2.gz OFVMDWNBAFBTMV-CQSZACIVSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1ccc(C(=O)NC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C2CC2)n1 ZINC001574457795 949330723 /nfs/dbraw/zinc/33/07/23/949330723.db2.gz OFVMDWNBAFBTMV-CQSZACIVSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@@]12CC[N@@H+](Cc3cc(=O)n4[n-]cc(-c5nnn[n-]5)c4n3)C[C@@H]1C2(Cl)Cl ZINC001575861935 949336759 /nfs/dbraw/zinc/33/67/59/949336759.db2.gz XCOBOZSONVRAQL-IINYFYTJSA-N -1 1 395.254 1.631 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(Cl)c1F)Nc1nccnc1-c1nnn[n-]1 ZINC001574942138 949340868 /nfs/dbraw/zinc/34/08/68/949340868.db2.gz WGHDIKYMJDSGHV-VIFPVBQESA-N -1 1 390.810 1.609 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(Cl)c1F)Nc1nccnc1-c1nn[n-]n1 ZINC001574942138 949340886 /nfs/dbraw/zinc/34/08/86/949340886.db2.gz WGHDIKYMJDSGHV-VIFPVBQESA-N -1 1 390.810 1.609 20 0 GDADMM CC(C)n1ccc(C(=O)N(C)CCCN(C)c2nccnc2-c2nnn[n-]2)n1 ZINC001574458292 949341274 /nfs/dbraw/zinc/34/12/74/949341274.db2.gz RWWFQBHOADNGGI-UHFFFAOYSA-N -1 1 384.448 1.033 20 0 GDADMM CC(C)n1ccc(C(=O)N(C)CCCN(C)c2nccnc2-c2nn[n-]n2)n1 ZINC001574458292 949341289 /nfs/dbraw/zinc/34/12/89/949341289.db2.gz RWWFQBHOADNGGI-UHFFFAOYSA-N -1 1 384.448 1.033 20 0 GDADMM C[C@H](CNC(=O)Cc1ccoc1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574942473 949357488 /nfs/dbraw/zinc/35/74/88/949357488.db2.gz PHLIUBUCCAEWMA-MRVPVSSYSA-N -1 1 381.849 1.753 20 0 GDADMM C[C@H](CNC(=O)Cc1ccoc1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574942473 949357494 /nfs/dbraw/zinc/35/74/94/949357494.db2.gz PHLIUBUCCAEWMA-MRVPVSSYSA-N -1 1 381.849 1.753 20 0 GDADMM C[C@@H](NC(=O)C1CC(C)(C)C1)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575260894 949369084 /nfs/dbraw/zinc/36/90/84/949369084.db2.gz YJCMINACZQMWNK-CHWSQXEVSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)n1cccc1C(=O)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574463878 949389615 /nfs/dbraw/zinc/38/96/15/949389615.db2.gz FAJBCTGJFZXNRD-ZDUSSCGKSA-N -1 1 381.444 1.756 20 0 GDADMM CC(C)n1cccc1C(=O)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574463878 949389635 /nfs/dbraw/zinc/38/96/35/949389635.db2.gz FAJBCTGJFZXNRD-ZDUSSCGKSA-N -1 1 381.444 1.756 20 0 GDADMM C[C@H](NC(=O)CC(C)(F)F)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575263416 949400190 /nfs/dbraw/zinc/40/01/90/949400190.db2.gz GXFSALPHDBGTFQ-WDEREUQCSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H](NC(=O)CC(C)(F)F)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575263416 949400203 /nfs/dbraw/zinc/40/02/03/949400203.db2.gz GXFSALPHDBGTFQ-WDEREUQCSA-N -1 1 380.403 1.423 20 0 GDADMM CC1(C)CN(C(=O)C2(C)CCOCC2)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575528449 949400714 /nfs/dbraw/zinc/40/07/14/949400714.db2.gz WKKBBIDKDMDUCF-ZDUSSCGKSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CN(C(=O)C2(C)CCOCC2)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575528449 949400725 /nfs/dbraw/zinc/40/07/25/949400725.db2.gz WKKBBIDKDMDUCF-ZDUSSCGKSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCCC1(F)F)Nc1nccnc1-c1nnn[n-]1 ZINC001574704581 949400779 /nfs/dbraw/zinc/40/07/79/949400779.db2.gz DCZXTOHPFMFKMA-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCCC1(F)F)Nc1nccnc1-c1nn[n-]n1 ZINC001574704581 949400789 /nfs/dbraw/zinc/40/07/89/949400789.db2.gz DCZXTOHPFMFKMA-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cocn1 ZINC001576155355 949401545 /nfs/dbraw/zinc/40/15/45/949401545.db2.gz ILJRZWQBWJYUSF-PIGZYNQJSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cocn1 ZINC001576155355 949401566 /nfs/dbraw/zinc/40/15/66/949401566.db2.gz ILJRZWQBWJYUSF-PIGZYNQJSA-N -1 1 383.416 1.436 20 0 GDADMM CC1=CC[C@@](C)(C(=O)NC2CCN(c3nccnc3-c3nnn[n-]3)CC2)CC1 ZINC001575866463 949411877 /nfs/dbraw/zinc/41/18/77/949411877.db2.gz SUFYMIDGRSUEFJ-LJQANCHMSA-N -1 1 382.472 1.878 20 0 GDADMM CC1=CC[C@@](C)(C(=O)NC2CCN(c3nccnc3-c3nn[n-]n3)CC2)CC1 ZINC001575866463 949411894 /nfs/dbraw/zinc/41/18/94/949411894.db2.gz SUFYMIDGRSUEFJ-LJQANCHMSA-N -1 1 382.472 1.878 20 0 GDADMM C[C@@H]1CCC[C@H](C(=O)NCC2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576155834 949418402 /nfs/dbraw/zinc/41/84/02/949418402.db2.gz VLFFGEJEVIYTFV-HIFRSBDPSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H]1CCC[C@H](C(=O)NCC2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001576155834 949418411 /nfs/dbraw/zinc/41/84/11/949418411.db2.gz VLFFGEJEVIYTFV-HIFRSBDPSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)n1cnc(C(=O)N2C[C@@H](C)[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001574464658 949420098 /nfs/dbraw/zinc/42/00/98/949420098.db2.gz QGBWKMBVUJHVDC-DGCLKSJQSA-N -1 1 382.432 1.007 20 0 GDADMM CC(C)n1cnc(C(=O)N2C[C@@H](C)[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001574464658 949420112 /nfs/dbraw/zinc/42/01/12/949420112.db2.gz QGBWKMBVUJHVDC-DGCLKSJQSA-N -1 1 382.432 1.007 20 0 GDADMM C[C@H]1CCC[C@H](C(=O)NCC2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576155836 949420130 /nfs/dbraw/zinc/42/01/30/949420130.db2.gz VLFFGEJEVIYTFV-ZFWWWQNUSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H]1CCC[C@H](C(=O)NCC2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001576155836 949420144 /nfs/dbraw/zinc/42/01/44/949420144.db2.gz VLFFGEJEVIYTFV-ZFWWWQNUSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@]1(C(=O)N2CC[C@@H](CCNc3cncc(-c4nnn[n-]4)n3)C2)CCCOC1 ZINC001575533877 949420667 /nfs/dbraw/zinc/42/06/67/949420667.db2.gz IYWUPPTXOZAAJS-ACJLOTCBSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@]1(C(=O)N2CC[C@@H](CCNc3cncc(-c4nn[n-]n4)n3)C2)CCCOC1 ZINC001575533877 949420674 /nfs/dbraw/zinc/42/06/74/949420674.db2.gz IYWUPPTXOZAAJS-ACJLOTCBSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2(C)CC(F)(F)C2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575866984 949428640 /nfs/dbraw/zinc/42/86/40/949428640.db2.gz ITSSUEJRHJOCNP-GHMZBOCLSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2(C)CC(F)(F)C2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575866984 949428651 /nfs/dbraw/zinc/42/86/51/949428651.db2.gz ITSSUEJRHJOCNP-GHMZBOCLSA-N -1 1 392.414 1.566 20 0 GDADMM CC(C)n1cccc1C(=O)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574465171 949432418 /nfs/dbraw/zinc/43/24/18/949432418.db2.gz RDJHTUZKUBQDPD-CYBMUJFWSA-N -1 1 381.444 1.035 20 0 GDADMM CC(C)n1cnc(C(=O)NC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C2CC2)c1 ZINC001574465405 949433986 /nfs/dbraw/zinc/43/39/86/949433986.db2.gz XOLBGXZYKQJRST-LBPRGKRZSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cnc(C(=O)NC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C2CC2)c1 ZINC001574465405 949433999 /nfs/dbraw/zinc/43/39/99/949433999.db2.gz XOLBGXZYKQJRST-LBPRGKRZSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@H]1CCC[C@H](C(=O)N2C[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]3C2)C1 ZINC001576156296 949441500 /nfs/dbraw/zinc/44/15/00/949441500.db2.gz VRLZLMPRAJGOPT-ZQDZILKHSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H]1CCC[C@H](C(=O)N2C[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]3C2)C1 ZINC001576156296 949441517 /nfs/dbraw/zinc/44/15/17/949441517.db2.gz VRLZLMPRAJGOPT-ZQDZILKHSA-N -1 1 382.472 1.378 20 0 GDADMM CC(C)(C)C(=O)NC[C@H]1c2ccccc2CCN1c1nccnc1-c1nnn[n-]1 ZINC001573803496 949443666 /nfs/dbraw/zinc/44/36/66/949443666.db2.gz QHLJODHGXFDIHC-HNNXBMFYSA-N -1 1 392.467 1.923 20 0 GDADMM CC(C)(C)C(=O)NC[C@H]1c2ccccc2CCN1c1nccnc1-c1nn[n-]n1 ZINC001573803496 949443681 /nfs/dbraw/zinc/44/36/81/949443681.db2.gz QHLJODHGXFDIHC-HNNXBMFYSA-N -1 1 392.467 1.923 20 0 GDADMM CC(C)n1nccc1C(=O)N(C)C1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574468043 949453081 /nfs/dbraw/zinc/45/30/81/949453081.db2.gz FZJBXTCLBPHMHW-UHFFFAOYSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1nccc1C(=O)N(C)C1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574468043 949453091 /nfs/dbraw/zinc/45/30/91/949453091.db2.gz FZJBXTCLBPHMHW-UHFFFAOYSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1ncc(C(=O)N[C@@H](C)CNc2cnc(-c3nnn[n-]3)cn2)c1Cl ZINC001574468511 949462835 /nfs/dbraw/zinc/46/28/35/949462835.db2.gz NFJOINNEUOQRPG-VIFPVBQESA-N -1 1 390.839 1.318 20 0 GDADMM CC(C)n1ncc(C(=O)N[C@@H](C)CNc2cnc(-c3nn[n-]n3)cn2)c1Cl ZINC001574468511 949462846 /nfs/dbraw/zinc/46/28/46/949462846.db2.gz NFJOINNEUOQRPG-VIFPVBQESA-N -1 1 390.839 1.318 20 0 GDADMM CC(C)n1nccc1C(=O)N(C)CCCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574469199 949476430 /nfs/dbraw/zinc/47/64/30/949476430.db2.gz YOGSNIISBPLBKM-UHFFFAOYSA-N -1 1 384.448 1.033 20 0 GDADMM CC(C)n1nccc1C(=O)N(C)CCCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574469199 949476437 /nfs/dbraw/zinc/47/64/37/949476437.db2.gz YOGSNIISBPLBKM-UHFFFAOYSA-N -1 1 384.448 1.033 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2(C(F)F)CC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575869905 949480029 /nfs/dbraw/zinc/48/00/29/949480029.db2.gz SNSZZQZHUXCYGO-ZJUUUORDSA-N -1 1 378.387 1.176 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2(C(F)F)CC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575869905 949480041 /nfs/dbraw/zinc/48/00/41/949480041.db2.gz SNSZZQZHUXCYGO-ZJUUUORDSA-N -1 1 378.387 1.176 20 0 GDADMM CC(C)n1nccc1C(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001574469421 949482783 /nfs/dbraw/zinc/48/27/83/949482783.db2.gz DGOZUUJBGAERTP-LBPRGKRZSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1nccc1C(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001574469421 949482796 /nfs/dbraw/zinc/48/27/96/949482796.db2.gz DGOZUUJBGAERTP-LBPRGKRZSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)(C)C(=O)NCc1ccc2c(c1)CN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001573806155 949484533 /nfs/dbraw/zinc/48/45/33/949484533.db2.gz ICPBLKKOJZXVCY-UHFFFAOYSA-N -1 1 378.440 1.839 20 0 GDADMM CC(C)(C)C(=O)NCc1ccc2c(c1)CN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001573806155 949484547 /nfs/dbraw/zinc/48/45/47/949484547.db2.gz ICPBLKKOJZXVCY-UHFFFAOYSA-N -1 1 378.440 1.839 20 0 GDADMM CC(C)(C)C(=O)Nc1nc(CC(=O)Nc2n[nH]cc2-c2nnn[n-]2)cs1 ZINC001573806426 949485984 /nfs/dbraw/zinc/48/59/84/949485984.db2.gz MXLQLEHVXZCFFH-UHFFFAOYSA-N -1 1 375.418 1.212 20 0 GDADMM CC(C)(C)C(=O)Nc1nc(CC(=O)Nc2n[nH]cc2-c2nn[n-]n2)cs1 ZINC001573806426 949485996 /nfs/dbraw/zinc/48/59/96/949485996.db2.gz MXLQLEHVXZCFFH-UHFFFAOYSA-N -1 1 375.418 1.212 20 0 GDADMM CC1(C(=O)N2CC[C@H]3[C@@H](CCN3c3nccnc3-c3nnn[n-]3)C2)CC=CC1 ZINC001575537778 949501885 /nfs/dbraw/zinc/50/18/85/949501885.db2.gz AYIVYOWZWQMPSR-KBPBESRZSA-N -1 1 380.456 1.440 20 0 GDADMM CC1(C(=O)N2CC[C@H]3[C@@H](CCN3c3nccnc3-c3nn[n-]n3)C2)CC=CC1 ZINC001575537778 949501897 /nfs/dbraw/zinc/50/18/97/949501897.db2.gz AYIVYOWZWQMPSR-KBPBESRZSA-N -1 1 380.456 1.440 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2(C(F)F)CC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575871055 949506974 /nfs/dbraw/zinc/50/69/74/949506974.db2.gz YFJRKRLAMMROQM-NXEZZACHSA-N -1 1 378.387 1.176 20 0 GDADMM C[C@H](CNC(=O)[C@@H](C)Cc1ccccc1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574949768 949508253 /nfs/dbraw/zinc/50/82/53/949508253.db2.gz CSPWXUCTDFAFHD-KBPBESRZSA-N -1 1 380.456 1.700 20 0 GDADMM C[C@H](CNC(=O)[C@@H](C)Cc1ccccc1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574949768 949508279 /nfs/dbraw/zinc/50/82/79/949508279.db2.gz CSPWXUCTDFAFHD-KBPBESRZSA-N -1 1 380.456 1.700 20 0 GDADMM C[C@H]1CCC[C@@H]1CC(=O)NCCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001576159050 949510013 /nfs/dbraw/zinc/51/00/13/949510013.db2.gz WBUNAUZGZSFCDA-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CC(C)(C)O ZINC001576158997 949512567 /nfs/dbraw/zinc/51/25/67/949512567.db2.gz VOZTWNVAJSUEDL-SGTLLEGYSA-N -1 1 388.476 1.295 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CC(C)(C)O ZINC001576158997 949512584 /nfs/dbraw/zinc/51/25/84/949512584.db2.gz VOZTWNVAJSUEDL-SGTLLEGYSA-N -1 1 388.476 1.295 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2=CCCC2)[C@@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576163865 949540154 /nfs/dbraw/zinc/54/01/54/949540154.db2.gz DENMVOLCLXMJIF-UKRRQHHQSA-N -1 1 382.472 1.618 20 0 GDADMM CC(C)CC(=O)NCc1ccccc1CN(C)c1nccnc1-c1nnn[n-]1 ZINC001574123272 949552384 /nfs/dbraw/zinc/55/23/84/949552384.db2.gz QKNKALSOGXIBLC-UHFFFAOYSA-N -1 1 380.456 1.955 20 0 GDADMM CC(C)CC(=O)NCc1ccccc1CN(C)c1nccnc1-c1nn[n-]n1 ZINC001574123272 949552397 /nfs/dbraw/zinc/55/23/97/949552397.db2.gz QKNKALSOGXIBLC-UHFFFAOYSA-N -1 1 380.456 1.955 20 0 GDADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)CC1(C(F)(F)F)CC1 ZINC001575269647 949558567 /nfs/dbraw/zinc/55/85/67/949558567.db2.gz WCDKORGHCLQOOT-BDAKNGLRSA-N -1 1 384.366 1.116 20 0 GDADMM CC1(C(=O)N2CC[C@@H]3[C@@H](CCN3c3nccnc3-c3nnn[n-]3)C2)CCCC1 ZINC001575540096 949561231 /nfs/dbraw/zinc/56/12/31/949561231.db2.gz UUAKELHPQGYWGA-UONOGXRCSA-N -1 1 382.472 1.664 20 0 GDADMM CC1(C(=O)N2CC[C@@H]3[C@@H](CCN3c3nccnc3-c3nn[n-]n3)C2)CCCC1 ZINC001575540096 949561247 /nfs/dbraw/zinc/56/12/47/949561247.db2.gz UUAKELHPQGYWGA-UONOGXRCSA-N -1 1 382.472 1.664 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C23CCC(CC2)C3)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575872899 949563949 /nfs/dbraw/zinc/56/39/49/949563949.db2.gz LYSDUFAZNZDZSK-GWMLXNDSSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C23CCC(CC2)C3)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575872899 949563971 /nfs/dbraw/zinc/56/39/71/949563971.db2.gz LYSDUFAZNZDZSK-GWMLXNDSSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@@H](NC(=O)CCCc1cccnc1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575270323 949587031 /nfs/dbraw/zinc/58/70/31/949587031.db2.gz CEQGARMOTZZBPS-QWHCGFSZSA-N -1 1 381.444 1.380 20 0 GDADMM C[C@@H](NC(=O)CCCc1cccnc1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575270323 949587044 /nfs/dbraw/zinc/58/70/44/949587044.db2.gz CEQGARMOTZZBPS-QWHCGFSZSA-N -1 1 381.444 1.380 20 0 GDADMM C[C@H](NC(=O)CCCc1cccs1)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575270501 949590857 /nfs/dbraw/zinc/59/08/57/949590857.db2.gz CZPBZIMCTZSGNA-RYUDHWBXSA-N -1 1 386.485 1.468 20 0 GDADMM C[C@H]1CCCN(C(=O)CC(C)(C)O)[C@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576167547 949608335 /nfs/dbraw/zinc/60/83/35/949608335.db2.gz QIBTXYZZIJDSHJ-JSGCOSHPSA-N -1 1 388.476 1.247 20 0 GDADMM C[C@H]1CCCN(C(=O)CC(C)(C)O)[C@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576167547 949608352 /nfs/dbraw/zinc/60/83/52/949608352.db2.gz QIBTXYZZIJDSHJ-JSGCOSHPSA-N -1 1 388.476 1.247 20 0 GDADMM C[C@H]1CCCN(C(=O)C2C=CC=CC=C2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576167538 949610209 /nfs/dbraw/zinc/61/02/09/949610209.db2.gz QDSUVLCXGKVRRP-HOCLYGCPSA-N -1 1 392.467 1.416 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)NC[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574957651 949624412 /nfs/dbraw/zinc/62/44/12/949624412.db2.gz DWHGLZGUERTISH-UONOGXRCSA-N -1 1 380.456 1.122 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@H]1CCC(F)(F)C1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574714495 949628037 /nfs/dbraw/zinc/62/80/37/949628037.db2.gz DRFLLIBEQBOPKF-WDEREUQCSA-N -1 1 380.403 1.163 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@H]1CCCO1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574715169 949642393 /nfs/dbraw/zinc/64/23/93/949642393.db2.gz HHLXMQUYLIPKRM-DTWKUNHWSA-N -1 1 385.881 1.805 20 0 GDADMM CC1(C(=O)N2CCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCCCCC1 ZINC001575547829 949645017 /nfs/dbraw/zinc/64/50/17/949645017.db2.gz MQLLRSHYLZJWAE-AWEZNQCLSA-N -1 1 384.488 1.842 20 0 GDADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CCc1ccco1 ZINC001573815177 949649715 /nfs/dbraw/zinc/64/97/15/949649715.db2.gz GVYZQQCYSLEECV-ZDUSSCGKSA-N -1 1 384.444 1.247 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@@H]1CCCCO1 ZINC001573815876 949661150 /nfs/dbraw/zinc/66/11/50/949661150.db2.gz LDQIUHRVNMQUKF-GXTWGEPZSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@@H]1CCCCO1 ZINC001573815876 949661163 /nfs/dbraw/zinc/66/11/63/949661163.db2.gz LDQIUHRVNMQUKF-GXTWGEPZSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@@H](CC(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1)c1ccc(F)cc1 ZINC001574477677 949670426 /nfs/dbraw/zinc/67/04/26/949670426.db2.gz QFGXENOAYYPJKJ-LBPRGKRZSA-N -1 1 384.419 1.860 20 0 GDADMM C[C@@H](CC(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1)c1ccc(F)cc1 ZINC001574477677 949670438 /nfs/dbraw/zinc/67/04/38/949670438.db2.gz QFGXENOAYYPJKJ-LBPRGKRZSA-N -1 1 384.419 1.860 20 0 GDADMM C[C@@H](NC(=O)CCCc1ccccn1)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575273795 949672846 /nfs/dbraw/zinc/67/28/46/949672846.db2.gz YDHKPYRJXSPBEE-CHWSQXEVSA-N -1 1 381.444 1.380 20 0 GDADMM C[C@@H](NC(=O)CCCc1ccccn1)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575273795 949672857 /nfs/dbraw/zinc/67/28/57/949672857.db2.gz YDHKPYRJXSPBEE-CHWSQXEVSA-N -1 1 381.444 1.380 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CCc2ccccc2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575878185 949677431 /nfs/dbraw/zinc/67/74/31/949677431.db2.gz NROMCKXXHXKZMP-ZBFHGGJFSA-N -1 1 392.467 1.763 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CCc2ccccc2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575878185 949677443 /nfs/dbraw/zinc/67/74/43/949677443.db2.gz NROMCKXXHXKZMP-ZBFHGGJFSA-N -1 1 392.467 1.763 20 0 GDADMM C[C@H](CC(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCCO1 ZINC001574477863 949678738 /nfs/dbraw/zinc/67/87/38/949678738.db2.gz VQUZLYUMRHOYIC-HIFRSBDPSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@H](CC(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCCO1 ZINC001574477863 949678757 /nfs/dbraw/zinc/67/87/57/949678757.db2.gz VQUZLYUMRHOYIC-HIFRSBDPSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@@H]1CCCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576169545 949680713 /nfs/dbraw/zinc/68/07/13/949680713.db2.gz HEOIPESCJJGTDP-USRAEIGSSA-N -1 1 382.472 1.742 20 0 GDADMM C[C@@H]1CCCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576169545 949680725 /nfs/dbraw/zinc/68/07/25/949680725.db2.gz HEOIPESCJJGTDP-USRAEIGSSA-N -1 1 382.472 1.742 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574958936 949692874 /nfs/dbraw/zinc/69/28/74/949692874.db2.gz OAPPIXGRVNRPKL-ZQGRQUNCSA-N -1 1 392.467 1.575 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574958936 949692890 /nfs/dbraw/zinc/69/28/90/949692890.db2.gz OAPPIXGRVNRPKL-ZQGRQUNCSA-N -1 1 392.467 1.575 20 0 GDADMM C[C@H](NC(=O)CCc1ccc(F)cc1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575275397 949694779 /nfs/dbraw/zinc/69/47/79/949694779.db2.gz CBKOSEVICCYDNV-RYUDHWBXSA-N -1 1 384.419 1.734 20 0 GDADMM C[C@H](NC(=O)CCc1ccc(F)cc1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575275397 949694800 /nfs/dbraw/zinc/69/48/00/949694800.db2.gz CBKOSEVICCYDNV-RYUDHWBXSA-N -1 1 384.419 1.734 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCCC12CC2 ZINC001573817287 949698297 /nfs/dbraw/zinc/69/82/97/949698297.db2.gz ZETISFZLXPEKOG-CHWSQXEVSA-N -1 1 384.488 1.602 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCCOCC1 ZINC001573817863 949709693 /nfs/dbraw/zinc/70/96/93/949709693.db2.gz BYZMAUFNAPJYNO-JSGCOSHPSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCCOCC1 ZINC001573817863 949709711 /nfs/dbraw/zinc/70/97/11/949709711.db2.gz BYZMAUFNAPJYNO-JSGCOSHPSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@H]1CCCN(C(=O)Cc2ccc[nH]2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576170267 949713651 /nfs/dbraw/zinc/71/36/51/949713651.db2.gz JTLKESGPCCACNQ-GXTWGEPZSA-N -1 1 381.444 1.267 20 0 GDADMM C[C@H]1CCCN(C(=O)Cc2ccc[nH]2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576170267 949713667 /nfs/dbraw/zinc/71/36/67/949713667.db2.gz JTLKESGPCCACNQ-GXTWGEPZSA-N -1 1 381.444 1.267 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574478804 949722652 /nfs/dbraw/zinc/72/26/52/949722652.db2.gz ASULXJLALYQKGL-KGLIPLIRSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H]1CCCC[C@@H]1C(=O)NCC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001576170599 949728862 /nfs/dbraw/zinc/72/88/62/949728862.db2.gz MEPPANXQZWVDFS-HIFRSBDPSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H]1CCCC[C@@H]1C(=O)NCC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001576170599 949728876 /nfs/dbraw/zinc/72/88/76/949728876.db2.gz MEPPANXQZWVDFS-HIFRSBDPSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001574479036 949729450 /nfs/dbraw/zinc/72/94/50/949729450.db2.gz CEKXKEVQXSTBCC-NXEZZACHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001574479036 949729475 /nfs/dbraw/zinc/72/94/75/949729475.db2.gz CEKXKEVQXSTBCC-NXEZZACHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@@H]1CCC(C)(C)CO1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574717369 949733564 /nfs/dbraw/zinc/73/35/64/949733564.db2.gz VKIDXSGTBKXSPI-STQMWFEESA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@@H]1CCC(C)(C)CO1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574717369 949733579 /nfs/dbraw/zinc/73/35/79/949733579.db2.gz VKIDXSGTBKXSPI-STQMWFEESA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H]1CCCC[C@@H]1C(=O)NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576170771 949738707 /nfs/dbraw/zinc/73/87/07/949738707.db2.gz MVMKWVUJTYTIQG-HIFRSBDPSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001574479723 949739592 /nfs/dbraw/zinc/73/95/92/949739592.db2.gz GHPGQHMNGIUHIC-NXEZZACHSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001574479723 949739606 /nfs/dbraw/zinc/73/96/06/949739606.db2.gz GHPGQHMNGIUHIC-NXEZZACHSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@H]1CCC(C)(C)CO1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574717720 949740424 /nfs/dbraw/zinc/74/04/24/949740424.db2.gz WQYVVXJIJHEMKN-CHWSQXEVSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@H]1CCC(C)(C)CO1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574717720 949740438 /nfs/dbraw/zinc/74/04/38/949740438.db2.gz WQYVVXJIJHEMKN-CHWSQXEVSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H]1CCCN(C(=O)CC2CCCC2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576170895 949744062 /nfs/dbraw/zinc/74/40/62/949744062.db2.gz OHLNPERTZVEFMP-DZGCQCFKSA-N -1 1 384.488 1.698 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H]1CCCOCC1 ZINC001573819253 949750680 /nfs/dbraw/zinc/75/06/80/949750680.db2.gz RRWAQNOJRPERBC-GXTWGEPZSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H]1CCCOCC1 ZINC001573819253 949750698 /nfs/dbraw/zinc/75/06/98/949750698.db2.gz RRWAQNOJRPERBC-GXTWGEPZSA-N -1 1 388.476 1.416 20 0 GDADMM CC1(C(=O)NC2CC(CNc3nccnc3-c3nnn[n-]3)C2)CC(F)(F)C1 ZINC001575559230 949752449 /nfs/dbraw/zinc/75/24/49/949752449.db2.gz AKCAXTUCOTVAOO-UHFFFAOYSA-N -1 1 378.387 1.399 20 0 GDADMM CC1(C(=O)NC2CC(CNc3nccnc3-c3nn[n-]n3)C2)CC(F)(F)C1 ZINC001575559230 949752469 /nfs/dbraw/zinc/75/24/69/949752469.db2.gz AKCAXTUCOTVAOO-UHFFFAOYSA-N -1 1 378.387 1.399 20 0 GDADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001573819778 949757591 /nfs/dbraw/zinc/75/75/91/949757591.db2.gz VBAUPPKFNSWWSN-UPJWGTAASA-N -1 1 386.504 1.704 20 0 GDADMM C[C@H](CC(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1)[C@@H]1CCCO1 ZINC001574480830 949759641 /nfs/dbraw/zinc/75/96/41/949759641.db2.gz KEKGCTMDNALWGK-DOMZBBRYSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H](CC(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1)[C@@H]1CCCO1 ZINC001574480830 949759656 /nfs/dbraw/zinc/75/96/56/949759656.db2.gz KEKGCTMDNALWGK-DOMZBBRYSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001574481078 949761345 /nfs/dbraw/zinc/76/13/45/949761345.db2.gz MKNHRVFRJGGEMC-UONOGXRCSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001574481078 949761365 /nfs/dbraw/zinc/76/13/65/949761365.db2.gz MKNHRVFRJGGEMC-UONOGXRCSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574480934 949765565 /nfs/dbraw/zinc/76/55/65/949765565.db2.gz LOVLQSKHCVUJEQ-OLZOCXBDSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H](CN(C)c2nccnc2-c2nnn[n-]2)C1)C1CC1 ZINC001574481195 949766567 /nfs/dbraw/zinc/76/65/67/949766567.db2.gz NEOMZURPCGCWKF-KGLIPLIRSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H](CN(C)c2nccnc2-c2nn[n-]n2)C1)C1CC1 ZINC001574481195 949766582 /nfs/dbraw/zinc/76/65/82/949766582.db2.gz NEOMZURPCGCWKF-KGLIPLIRSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H]1CCCN(C(=O)CCC(F)F)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576171510 949768286 /nfs/dbraw/zinc/76/82/86/949768286.db2.gz RNKQKZQFYIPRBD-QWRGUYRKSA-N -1 1 380.403 1.163 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001574481102 949768633 /nfs/dbraw/zinc/76/86/33/949768633.db2.gz MPFTVTFRYVSITJ-DZGCQCFKSA-N -1 1 378.440 1.863 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574481102 949768655 /nfs/dbraw/zinc/76/86/55/949768655.db2.gz MPFTVTFRYVSITJ-DZGCQCFKSA-N -1 1 378.440 1.863 20 0 GDADMM CC1(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(c2cncc(-c4nnn[n-]4)n2)C3)CCCC1 ZINC001575559754 949769230 /nfs/dbraw/zinc/76/92/30/949769230.db2.gz FZOASYDRESBKPY-IHRRRGAJSA-N -1 1 382.472 1.711 20 0 GDADMM CC1(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(c2cncc(-c4nn[n-]n4)n2)C3)CCCC1 ZINC001575559754 949769249 /nfs/dbraw/zinc/76/92/49/949769249.db2.gz FZOASYDRESBKPY-IHRRRGAJSA-N -1 1 382.472 1.711 20 0 GDADMM CC1(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(c2ccnc(-c4nn[n-]n4)n2)C3)CCCC1 ZINC001575560143 949780244 /nfs/dbraw/zinc/78/02/44/949780244.db2.gz KYENMQODQUMXST-IHRRRGAJSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccncc1 ZINC001574481518 949783498 /nfs/dbraw/zinc/78/34/98/949783498.db2.gz QSIZGZLPLNNTGT-GXTWGEPZSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccncc1 ZINC001574481518 949783513 /nfs/dbraw/zinc/78/35/13/949783513.db2.gz QSIZGZLPLNNTGT-GXTWGEPZSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574965695 949812684 /nfs/dbraw/zinc/81/26/84/949812684.db2.gz JMRQRFALEBKDIM-YUELXQCFSA-N -1 1 378.440 1.047 20 0 GDADMM C[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574965857 949820716 /nfs/dbraw/zinc/82/07/16/949820716.db2.gz NMZXYLPFEFAPHZ-YUELXQCFSA-N -1 1 378.440 1.401 20 0 GDADMM C[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574965857 949820738 /nfs/dbraw/zinc/82/07/38/949820738.db2.gz NMZXYLPFEFAPHZ-YUELXQCFSA-N -1 1 378.440 1.401 20 0 GDADMM C[C@@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574965859 949820853 /nfs/dbraw/zinc/82/08/53/949820853.db2.gz NNYFMADLAHWMJZ-YUELXQCFSA-N -1 1 378.440 1.625 20 0 GDADMM C[C@@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574965859 949820875 /nfs/dbraw/zinc/82/08/75/949820875.db2.gz NNYFMADLAHWMJZ-YUELXQCFSA-N -1 1 378.440 1.625 20 0 GDADMM C[C@H](CN(C)C(=O)CCOc1ccccc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574722759 949844750 /nfs/dbraw/zinc/84/47/50/949844750.db2.gz XDPOICSCDZJESY-CYBMUJFWSA-N -1 1 382.428 1.385 20 0 GDADMM C[C@H](CN(C)C(=O)CCOc1ccccc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574722759 949844772 /nfs/dbraw/zinc/84/47/72/949844772.db2.gz XDPOICSCDZJESY-CYBMUJFWSA-N -1 1 382.428 1.385 20 0 GDADMM CC(C)(C)C1CC(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)C1 ZINC001573824161 949845678 /nfs/dbraw/zinc/84/56/78/949845678.db2.gz DIXHCCNCGNUPSJ-LLYMFKJOSA-N -1 1 382.472 1.280 20 0 GDADMM CC(C)(C)C1CC(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)C1 ZINC001573824161 949845712 /nfs/dbraw/zinc/84/57/12/949845712.db2.gz DIXHCCNCGNUPSJ-LLYMFKJOSA-N -1 1 382.472 1.280 20 0 GDADMM CC1(C(=O)N[C@H]2CCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)CC(F)(F)C1 ZINC001575563960 949846360 /nfs/dbraw/zinc/84/63/60/949846360.db2.gz NGDNFGAJHRODBW-MNOVXSKESA-N -1 1 392.414 1.789 20 0 GDADMM CC1(C(=O)N[C@H]2CCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)CC(F)(F)C1 ZINC001575563960 949846393 /nfs/dbraw/zinc/84/63/93/949846393.db2.gz NGDNFGAJHRODBW-MNOVXSKESA-N -1 1 392.414 1.789 20 0 GDADMM CC1(C(=O)N[C@H]2CC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CCOCC1 ZINC001575563893 949848192 /nfs/dbraw/zinc/84/81/92/949848192.db2.gz MYPMXVLDDUDNMX-OLZOCXBDSA-N -1 1 386.460 1.170 20 0 GDADMM CC1(C(=O)N[C@H]2CC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CCOCC1 ZINC001575563893 949848211 /nfs/dbraw/zinc/84/82/11/949848211.db2.gz MYPMXVLDDUDNMX-OLZOCXBDSA-N -1 1 386.460 1.170 20 0 GDADMM CC(C)(C)C12CC(C(=O)N[C@H]3CCN(c4ccnc(-c5nn[n-]n5)n4)C3)(C1)C2 ZINC001573824539 949850268 /nfs/dbraw/zinc/85/02/68/949850268.db2.gz GTALIXWBRBWSPE-RMEHTXHKSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001574484153 949865753 /nfs/dbraw/zinc/86/57/53/949865753.db2.gz CZJLPQHTGGJWQD-DAXOMENPSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001574484153 949865770 /nfs/dbraw/zinc/86/57/70/949865770.db2.gz CZJLPQHTGGJWQD-DAXOMENPSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H]1CCCN1c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001576177898 949866648 /nfs/dbraw/zinc/86/66/48/949866648.db2.gz DAIVDZCCDCCEQD-JQWIXIFHSA-N -1 1 383.416 1.039 20 0 GDADMM C[C@H]1CCCN1c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001576177898 949866670 /nfs/dbraw/zinc/86/66/70/949866670.db2.gz DAIVDZCCDCCEQD-JQWIXIFHSA-N -1 1 383.416 1.039 20 0 GDADMM C[C@@H](CC(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)c1ccco1 ZINC001574484214 949869488 /nfs/dbraw/zinc/86/94/88/949869488.db2.gz FOYDMKKNTJGWNV-ZDUSSCGKSA-N -1 1 382.428 1.482 20 0 GDADMM CC(C)(C)[C@H]1CCN(S(=O)(=O)Cc2csc(-c3nn[n-]n3)c2)CCO1 ZINC001573825643 949889235 /nfs/dbraw/zinc/88/92/35/949889235.db2.gz AIAJNIYJTQSLGS-CYBMUJFWSA-N -1 1 385.515 1.895 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574143380 949890711 /nfs/dbraw/zinc/89/07/11/949890711.db2.gz GVJDSMHWKWZXSY-AWEZNQCLSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@]1(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)CCCOC1 ZINC001575569085 949909064 /nfs/dbraw/zinc/90/90/64/949909064.db2.gz FTGVSXVDMQTUNQ-KUHUBIRLSA-N -1 1 388.447 1.513 20 0 GDADMM C[C@@]1(C(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CCc2ccccc21 ZINC001575569836 949928577 /nfs/dbraw/zinc/92/85/77/949928577.db2.gz OXPYOOQSXZLDLY-JLTOFOAXSA-N -1 1 390.451 1.256 20 0 GDADMM C[C@@]1(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CCc2ccccc21 ZINC001575569836 949928590 /nfs/dbraw/zinc/92/85/90/949928590.db2.gz OXPYOOQSXZLDLY-JLTOFOAXSA-N -1 1 390.451 1.256 20 0 GDADMM CC(C)(C)CC(=O)N(CCO)CCNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573828388 949933936 /nfs/dbraw/zinc/93/39/36/949933936.db2.gz SFZGYCWJFFOFML-UHFFFAOYSA-N -1 1 387.897 1.646 20 0 GDADMM CC(C)(C)CC(=O)N(CCO)CCNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573828388 949933952 /nfs/dbraw/zinc/93/39/52/949933952.db2.gz SFZGYCWJFFOFML-UHFFFAOYSA-N -1 1 387.897 1.646 20 0 GDADMM CC(C)(C)CC(=O)N1CCC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)CC[C@H]21 ZINC001573829977 949965371 /nfs/dbraw/zinc/96/53/71/949965371.db2.gz GIIWPRAWRACCFL-DZGCQCFKSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)(C)CC(=O)N1CCC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)CC[C@H]21 ZINC001573829977 949965393 /nfs/dbraw/zinc/96/53/93/949965393.db2.gz GIIWPRAWRACCFL-DZGCQCFKSA-N -1 1 384.488 1.910 20 0 GDADMM CC1(C(=O)NC[C@@H](CO)Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCCC1 ZINC001575572650 949982441 /nfs/dbraw/zinc/98/24/41/949982441.db2.gz IHMJLWIKJLDFTB-QMMMGPOBSA-N -1 1 385.881 1.446 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cocn2)[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576181218 949988962 /nfs/dbraw/zinc/98/89/62/949988962.db2.gz KVCRACKPQCGPKG-FZMZJTMJSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cocn2)[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576181218 949988982 /nfs/dbraw/zinc/98/89/82/949988982.db2.gz KVCRACKPQCGPKG-FZMZJTMJSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@@]1(C(=O)NC[C@H](CO)Nc2nc(Cl)c(-c3nnn[n-]3)s2)C=CCC1 ZINC001575573555 949995749 /nfs/dbraw/zinc/99/57/49/949995749.db2.gz MYWPQEGDBBMYAL-XLKFXECMSA-N -1 1 383.865 1.222 20 0 GDADMM C[C@@]1(C(=O)NC[C@H](CO)Nc2nc(Cl)c(-c3nn[n-]n3)s2)C=CCC1 ZINC001575573555 949995760 /nfs/dbraw/zinc/99/57/60/949995760.db2.gz MYWPQEGDBBMYAL-XLKFXECMSA-N -1 1 383.865 1.222 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccsn2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576181273 949998084 /nfs/dbraw/zinc/99/80/84/949998084.db2.gz LKUVXEKHYCOPJF-ZYHUDNBSSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccsn2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576181273 949998105 /nfs/dbraw/zinc/99/81/05/949998105.db2.gz LKUVXEKHYCOPJF-ZYHUDNBSSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H]1CCN(C(=O)C2C=CC=CC=C2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576181638 950014593 /nfs/dbraw/zinc/01/45/93/950014593.db2.gz IOMFVSJODWLMKJ-HOCLYGCPSA-N -1 1 392.467 1.852 20 0 GDADMM C[C@H]1CCN(C(=O)C2C=CC=CC=C2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576181638 950014619 /nfs/dbraw/zinc/01/46/19/950014619.db2.gz IOMFVSJODWLMKJ-HOCLYGCPSA-N -1 1 392.467 1.852 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1)c1ccncc1 ZINC001574490736 950019262 /nfs/dbraw/zinc/01/92/62/950019262.db2.gz XVGRFFZJYDOCPZ-SNPRPXQTSA-N -1 1 391.439 1.035 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1)c1ccncc1 ZINC001574490736 950019277 /nfs/dbraw/zinc/01/92/77/950019277.db2.gz XVGRFFZJYDOCPZ-SNPRPXQTSA-N -1 1 391.439 1.035 20 0 GDADMM C[C@H]1CCN(C(=O)C2(CCF)CC2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576182048 950034305 /nfs/dbraw/zinc/03/43/05/950034305.db2.gz KRSNWDUNFWDPEE-STQMWFEESA-N -1 1 388.451 1.115 20 0 GDADMM C[C@@H](CC(=O)NC1CC2(C1)CC(Nc1ccc(-c3nnn[n-]3)nn1)C2)C1CC1 ZINC001574491433 950035888 /nfs/dbraw/zinc/03/58/88/950035888.db2.gz CWAWQHVGSZYZQT-AIMVFPRCSA-N -1 1 382.472 1.932 20 0 GDADMM C[C@@H](CC(=O)NC1CC2(C1)CC(Nc1ccc(-c3nn[n-]n3)nn1)C2)C1CC1 ZINC001574491433 950035912 /nfs/dbraw/zinc/03/59/12/950035912.db2.gz CWAWQHVGSZYZQT-AIMVFPRCSA-N -1 1 382.472 1.932 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](CO)Nc1nc(-c2nn[n-]n2)c(Cl)s1)C1CC1 ZINC001574492289 950070600 /nfs/dbraw/zinc/07/06/00/950070600.db2.gz ABEHDELDMNTXPY-IONNQARKSA-N -1 1 385.881 1.302 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cnco2)[C@@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576183448 950092971 /nfs/dbraw/zinc/09/29/71/950092971.db2.gz SBBYJEINEBVICV-DGCLKSJQSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cnco2)[C@@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576183448 950092994 /nfs/dbraw/zinc/09/29/94/950092994.db2.gz SBBYJEINEBVICV-DGCLKSJQSA-N -1 1 383.416 1.388 20 0 GDADMM CC1(C(=O)NCC2(Nc3ccnc(-c4nn[n-]n4)n3)CC2)CCC(F)(F)CC1 ZINC001575581998 950093243 /nfs/dbraw/zinc/09/32/43/950093243.db2.gz BDDZVSYNIATSRZ-UHFFFAOYSA-N -1 1 392.414 1.355 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(F)CCCC2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576183955 950108573 /nfs/dbraw/zinc/10/85/73/950108573.db2.gz SJZZLRYTNNDDEF-CHWSQXEVSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(F)CCCC2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576183955 950108589 /nfs/dbraw/zinc/10/85/89/950108589.db2.gz SJZZLRYTNNDDEF-CHWSQXEVSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccsc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574733895 950117990 /nfs/dbraw/zinc/11/79/90/950117990.db2.gz GICIZCNKFXNLPU-KGYLQXTDSA-N -1 1 384.469 1.781 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccsc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574733895 950118002 /nfs/dbraw/zinc/11/80/02/950118002.db2.gz GICIZCNKFXNLPU-KGYLQXTDSA-N -1 1 384.469 1.781 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@]1(C)c1ccccc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574733948 950124349 /nfs/dbraw/zinc/12/43/49/950124349.db2.gz HSOUUFHTYUWCTP-ZQGRQUNCSA-N -1 1 392.467 1.893 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@]1(C)c1ccccc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574733948 950124359 /nfs/dbraw/zinc/12/43/59/950124359.db2.gz HSOUUFHTYUWCTP-ZQGRQUNCSA-N -1 1 392.467 1.893 20 0 GDADMM CC(C)(C)CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1 ZINC001573839196 950127086 /nfs/dbraw/zinc/12/70/86/950127086.db2.gz PBVJJTGBEXFGRS-STQMWFEESA-N -1 1 384.488 1.909 20 0 GDADMM CC(C)(C)CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1 ZINC001573839196 950127095 /nfs/dbraw/zinc/12/70/95/950127095.db2.gz PBVJJTGBEXFGRS-STQMWFEESA-N -1 1 384.488 1.909 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cc[nH]c2)[C@@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576184390 950129374 /nfs/dbraw/zinc/12/93/74/950129374.db2.gz WHEYHXRSOAPLKP-IUODEOHRSA-N -1 1 381.444 1.728 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cc[nH]c2)[C@@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576184390 950129396 /nfs/dbraw/zinc/12/93/96/950129396.db2.gz WHEYHXRSOAPLKP-IUODEOHRSA-N -1 1 381.444 1.728 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574734224 950131224 /nfs/dbraw/zinc/13/12/24/950131224.db2.gz KYJJWLYBDFTHKU-KGLIPLIRSA-N -1 1 380.456 1.794 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574734224 950131231 /nfs/dbraw/zinc/13/12/31/950131231.db2.gz KYJJWLYBDFTHKU-KGLIPLIRSA-N -1 1 380.456 1.794 20 0 GDADMM C[C@@H]1CCN(C(=O)CCC(F)F)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576184694 950138468 /nfs/dbraw/zinc/13/84/68/950138468.db2.gz XGKMCAIKRYVGKA-GHMZBOCLSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H]1CCN(C(=O)CCC(F)F)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576184694 950138479 /nfs/dbraw/zinc/13/84/79/950138479.db2.gz XGKMCAIKRYVGKA-GHMZBOCLSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ccoc2Cl)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575898152 950149233 /nfs/dbraw/zinc/14/92/33/950149233.db2.gz QSPMKFSZZZAZCT-KOLCDFICSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ccoc2Cl)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575898152 950149247 /nfs/dbraw/zinc/14/92/47/950149247.db2.gz QSPMKFSZZZAZCT-KOLCDFICSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2ccoc2Cl)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575898154 950150617 /nfs/dbraw/zinc/15/06/17/950150617.db2.gz QSPMKFSZZZAZCT-ONGXEEELSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2ccoc2Cl)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575898154 950150624 /nfs/dbraw/zinc/15/06/24/950150624.db2.gz QSPMKFSZZZAZCT-ONGXEEELSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@H]1CCN(C(=O)C2CC(F)(F)C2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576185068 950154957 /nfs/dbraw/zinc/15/49/57/950154957.db2.gz ZBCPQMZXTVHBTP-CMPLNLGQSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H]1CCN(C(=O)C2CC(F)(F)C2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576185068 950154968 /nfs/dbraw/zinc/15/49/68/950154968.db2.gz ZBCPQMZXTVHBTP-CMPLNLGQSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H](CC(=O)NC[C@H](Nc1nccnc1-c1nnn[n-]1)C1CC1)c1ccco1 ZINC001574494251 950156900 /nfs/dbraw/zinc/15/69/00/950156900.db2.gz JKEYTPOYMWYZIG-YPMHNXCESA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](CC(=O)NC[C@H](Nc1nccnc1-c1nn[n-]n1)C1CC1)c1ccco1 ZINC001574494251 950156912 /nfs/dbraw/zinc/15/69/12/950156912.db2.gz JKEYTPOYMWYZIG-YPMHNXCESA-N -1 1 382.428 1.750 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cc(Cl)no1 ZINC001574154672 950172590 /nfs/dbraw/zinc/17/25/90/950172590.db2.gz FVWMAADXICGDDS-VIFPVBQESA-N -1 1 391.823 1.555 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cc(Cl)no1 ZINC001574154672 950172607 /nfs/dbraw/zinc/17/26/07/950172607.db2.gz FVWMAADXICGDDS-VIFPVBQESA-N -1 1 391.823 1.555 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2occc2Cl)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575899829 950182194 /nfs/dbraw/zinc/18/21/94/950182194.db2.gz ADLRARSKLVAWSL-KOLCDFICSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2occc2Cl)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575899829 950182210 /nfs/dbraw/zinc/18/22/10/950182210.db2.gz ADLRARSKLVAWSL-KOLCDFICSA-N -1 1 388.819 1.690 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CC[C@H]1CCOC1 ZINC001574155016 950185153 /nfs/dbraw/zinc/18/51/53/950185153.db2.gz IABSTRGIYMLRDC-KBPBESRZSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CC[C@H]1CCOC1 ZINC001574155016 950185165 /nfs/dbraw/zinc/18/51/65/950185165.db2.gz IABSTRGIYMLRDC-KBPBESRZSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@@H]1CCCOC1 ZINC001574155222 950189542 /nfs/dbraw/zinc/18/95/42/950189542.db2.gz KDTHAYZZAKLNRS-UONOGXRCSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@@H]1CCCOC1 ZINC001574155222 950189552 /nfs/dbraw/zinc/18/95/52/950189552.db2.gz KDTHAYZZAKLNRS-UONOGXRCSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CCC(C)(F)F ZINC001574155443 950192920 /nfs/dbraw/zinc/19/29/20/950192920.db2.gz LGTHONCOYSBZTK-NSHDSACASA-N -1 1 382.419 1.457 20 0 GDADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1CC(F)(F)C1 ZINC001574155792 950209842 /nfs/dbraw/zinc/20/98/42/950209842.db2.gz RQOGSCDOPBBRAH-LLVKDONJSA-N -1 1 380.403 1.067 20 0 GDADMM C[C@H]1CCN(C(=O)c2cccs2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576192090 950225240 /nfs/dbraw/zinc/22/52/40/950225240.db2.gz LPIUPPRBRUWILT-RYUDHWBXSA-N -1 1 384.469 1.929 20 0 GDADMM C[C@H]1CCN(C(=O)c2cccs2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576192090 950225256 /nfs/dbraw/zinc/22/52/56/950225256.db2.gz LPIUPPRBRUWILT-RYUDHWBXSA-N -1 1 384.469 1.929 20 0 GDADMM CC1(C(=O)NCC2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)CCCCC1 ZINC001575587259 950237282 /nfs/dbraw/zinc/23/72/82/950237282.db2.gz MVINSCVAEHYUGQ-UHFFFAOYSA-N -1 1 384.488 1.960 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccccc2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576192359 950243235 /nfs/dbraw/zinc/24/32/35/950243235.db2.gz NLXQYFFJFKGFLW-DZGCQCFKSA-N -1 1 378.440 1.867 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccccc2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576192359 950243245 /nfs/dbraw/zinc/24/32/45/950243245.db2.gz NLXQYFFJFKGFLW-DZGCQCFKSA-N -1 1 378.440 1.867 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573846223 950244897 /nfs/dbraw/zinc/24/48/97/950244897.db2.gz PILSVUBNFOCZHD-UONOGXRCSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573846223 950244918 /nfs/dbraw/zinc/24/49/18/950244918.db2.gz PILSVUBNFOCZHD-UONOGXRCSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573846068 950246668 /nfs/dbraw/zinc/24/66/68/950246668.db2.gz NLWUXILYWFWYRJ-GXTWGEPZSA-N -1 1 384.488 1.554 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573846735 950256227 /nfs/dbraw/zinc/25/62/27/950256227.db2.gz VBEWZKJGQWGPHU-UONOGXRCSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573846735 950256238 /nfs/dbraw/zinc/25/62/38/950256238.db2.gz VBEWZKJGQWGPHU-UONOGXRCSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CC[C@H]1CCOC1 ZINC001574157899 950257656 /nfs/dbraw/zinc/25/76/56/950257656.db2.gz KVRQORJAUIUOHM-KBPBESRZSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CC[C@H]1CCOC1 ZINC001574157899 950257677 /nfs/dbraw/zinc/25/76/77/950257677.db2.gz KVRQORJAUIUOHM-KBPBESRZSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CC[C@@H]1CCOC1 ZINC001574157900 950258531 /nfs/dbraw/zinc/25/85/31/950258531.db2.gz KVRQORJAUIUOHM-KGLIPLIRSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CC[C@@H]1CCOC1 ZINC001574157900 950258553 /nfs/dbraw/zinc/25/85/53/950258553.db2.gz KVRQORJAUIUOHM-KGLIPLIRSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCC1)C(F)(F)F ZINC001574498107 950261857 /nfs/dbraw/zinc/26/18/57/950261857.db2.gz JYQNYJKIZOEVSN-SECBINFHSA-N -1 1 384.366 1.696 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCC1)C(F)(F)F ZINC001574498107 950261874 /nfs/dbraw/zinc/26/18/74/950261874.db2.gz JYQNYJKIZOEVSN-SECBINFHSA-N -1 1 384.366 1.696 20 0 GDADMM C[C@@H](CC(=O)NC[C@@]1(C)CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CC1 ZINC001574498117 950262095 /nfs/dbraw/zinc/26/20/95/950262095.db2.gz KCXVLYLGZIMLAX-ORAYPTAESA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](CC(=O)NC[C@@]1(C)CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CC1 ZINC001574498117 950262116 /nfs/dbraw/zinc/26/21/16/950262116.db2.gz KCXVLYLGZIMLAX-ORAYPTAESA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C1CCC(O)CC1 ZINC001574158069 950266882 /nfs/dbraw/zinc/26/68/82/950266882.db2.gz NVJPUWVKNCZRTI-MOKVOYLWSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C1CCC(O)CC1 ZINC001574158069 950266903 /nfs/dbraw/zinc/26/69/03/950266903.db2.gz NVJPUWVKNCZRTI-MOKVOYLWSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2coc(-c3nnn[n-]3)c2)c1 ZINC001573850275 950273562 /nfs/dbraw/zinc/27/35/62/950273562.db2.gz IMFFILLODKKZRS-UHFFFAOYSA-N -1 1 390.425 1.789 20 0 GDADMM CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2coc(-c3nn[n-]n3)c2)c1 ZINC001573850275 950273577 /nfs/dbraw/zinc/27/35/77/950273577.db2.gz IMFFILLODKKZRS-UHFFFAOYSA-N -1 1 390.425 1.789 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1C[C@@H]1C(F)F ZINC001574158465 950282066 /nfs/dbraw/zinc/28/20/66/950282066.db2.gz AYZNQCHAUSZFEI-VWYCJHECSA-N -1 1 380.403 1.501 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1C[C@@H]1C(F)F ZINC001574158465 950282084 /nfs/dbraw/zinc/28/20/84/950282084.db2.gz AYZNQCHAUSZFEI-VWYCJHECSA-N -1 1 380.403 1.501 20 0 GDADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccccc1O ZINC001574158803 950293015 /nfs/dbraw/zinc/29/30/15/950293015.db2.gz SVCURPYHMQLCBT-LBPRGKRZSA-N -1 1 382.428 1.041 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ncccc1O ZINC001574158835 950293704 /nfs/dbraw/zinc/29/37/04/950293704.db2.gz CQYMQCFIDSWLLB-LLVKDONJSA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[nH]n2)n1)NC(=O)c1ncccc1[O-] ZINC001574158835 950293732 /nfs/dbraw/zinc/29/37/32/950293732.db2.gz CQYMQCFIDSWLLB-LLVKDONJSA-N -1 1 383.416 1.014 20 0 GDADMM C[C@@H]1CCN(C(=O)c2nccs2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576193345 950295043 /nfs/dbraw/zinc/29/50/43/950295043.db2.gz TXOJBYDAKKMDMB-MNOVXSKESA-N -1 1 385.457 1.324 20 0 GDADMM C[C@@H]1CCN(C(=O)c2nccs2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576193345 950295059 /nfs/dbraw/zinc/29/50/59/950295059.db2.gz TXOJBYDAKKMDMB-MNOVXSKESA-N -1 1 385.457 1.324 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H](C)C(C)(F)F ZINC001574159249 950295957 /nfs/dbraw/zinc/29/59/57/950295957.db2.gz URHAKYUECYQUDX-QWRGUYRKSA-N -1 1 382.419 1.891 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H](C)C(C)(F)F ZINC001574159249 950295973 /nfs/dbraw/zinc/29/59/73/950295973.db2.gz URHAKYUECYQUDX-QWRGUYRKSA-N -1 1 382.419 1.891 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001574501066 950321207 /nfs/dbraw/zinc/32/12/07/950321207.db2.gz ASPMUPONGGTWHX-GJZGRUSLSA-N -1 1 392.467 1.793 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574501066 950321229 /nfs/dbraw/zinc/32/12/29/950321229.db2.gz ASPMUPONGGTWHX-GJZGRUSLSA-N -1 1 392.467 1.793 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H](C)c1ccco1 ZINC001574161474 950358050 /nfs/dbraw/zinc/35/80/50/950358050.db2.gz UYYZFDYZCPIURH-QWHCGFSZSA-N -1 1 384.444 1.996 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)c1ccco1 ZINC001574161474 950358068 /nfs/dbraw/zinc/35/80/68/950358068.db2.gz UYYZFDYZCPIURH-QWHCGFSZSA-N -1 1 384.444 1.996 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001573855151 950358952 /nfs/dbraw/zinc/35/89/52/950358952.db2.gz JWSMOLNAVSPQTA-IPNGBCKKSA-N -1 1 382.472 1.280 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001573855151 950358974 /nfs/dbraw/zinc/35/89/74/950358974.db2.gz JWSMOLNAVSPQTA-IPNGBCKKSA-N -1 1 382.472 1.280 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001574502091 950359988 /nfs/dbraw/zinc/35/99/88/950359988.db2.gz IUGHROFIWVLLJD-NXEZZACHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001574502091 950360010 /nfs/dbraw/zinc/36/00/10/950360010.db2.gz IUGHROFIWVLLJD-NXEZZACHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCCCCN1c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001574502104 950360958 /nfs/dbraw/zinc/36/09/58/950360958.db2.gz IWLYYXHLAPPTAD-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CC1(C(=O)N(C)C[C@H](O)CNc2nccnc2-c2nnn[n-]2)CCC1 ZINC001574162648 950396514 /nfs/dbraw/zinc/39/65/14/950396514.db2.gz GGIMDMDEBRVFID-CYBMUJFWSA-N -1 1 388.476 1.104 20 0 GDADMM CC(C)CC1(C(=O)N(C)C[C@H](O)CNc2nccnc2-c2nn[n-]n2)CCC1 ZINC001574162648 950396537 /nfs/dbraw/zinc/39/65/37/950396537.db2.gz GGIMDMDEBRVFID-CYBMUJFWSA-N -1 1 388.476 1.104 20 0 GDADMM CC1(C(=O)NC[C@]23CCC[C@H]2N(c2cncc(-c4nnn[n-]4)n2)CC3)CCC1 ZINC001575597325 950408335 /nfs/dbraw/zinc/40/83/35/950408335.db2.gz OTRPFJQCQPHRGH-AUUYWEPGSA-N -1 1 382.472 1.712 20 0 GDADMM CC1(C(=O)NC[C@]23CCC[C@H]2N(c2cncc(-c4nn[n-]n4)n2)CC3)CCC1 ZINC001575597325 950408352 /nfs/dbraw/zinc/40/83/52/950408352.db2.gz OTRPFJQCQPHRGH-AUUYWEPGSA-N -1 1 382.472 1.712 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H](C)C(C)(F)F ZINC001574162954 950413921 /nfs/dbraw/zinc/41/39/21/950413921.db2.gz NXXMVLMWTBOYIG-QWRGUYRKSA-N -1 1 382.419 1.891 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H](C)C(C)(F)F ZINC001574162954 950413935 /nfs/dbraw/zinc/41/39/35/950413935.db2.gz NXXMVLMWTBOYIG-QWRGUYRKSA-N -1 1 382.419 1.891 20 0 GDADMM CC1(C(=O)NC[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CC(F)(F)C1 ZINC001575597674 950415528 /nfs/dbraw/zinc/41/55/28/950415528.db2.gz VBSNFDHUCODFGE-MGCOHNPYSA-N -1 1 378.387 1.399 20 0 GDADMM CC1(C(=O)NC[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CC(F)(F)C1 ZINC001575597674 950415539 /nfs/dbraw/zinc/41/55/39/950415539.db2.gz VBSNFDHUCODFGE-MGCOHNPYSA-N -1 1 378.387 1.399 20 0 GDADMM CC1(C(=O)NC[C@]23CCC[C@H]2N(c2cnc(-c4nnn[n-]4)cn2)CC3)CCC1 ZINC001575597853 950419403 /nfs/dbraw/zinc/41/94/03/950419403.db2.gz XVHJIVPVQXQQIH-AUUYWEPGSA-N -1 1 382.472 1.712 20 0 GDADMM CC1(C(=O)NC[C@]23CCC[C@H]2N(c2cnc(-c4nn[n-]n4)cn2)CC3)CCC1 ZINC001575597853 950419414 /nfs/dbraw/zinc/41/94/14/950419414.db2.gz XVHJIVPVQXQQIH-AUUYWEPGSA-N -1 1 382.472 1.712 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cc[nH]c(=O)c1 ZINC001574163522 950426710 /nfs/dbraw/zinc/42/67/10/950426710.db2.gz VKGMWKLTZHKOPP-GFCCVEGCSA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cc[nH]c(=O)c1 ZINC001574163522 950426722 /nfs/dbraw/zinc/42/67/22/950426722.db2.gz VKGMWKLTZHKOPP-GFCCVEGCSA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)CC1(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)CCC1 ZINC001574165251 950440822 /nfs/dbraw/zinc/44/08/22/950440822.db2.gz AQPUDQZWIDPIFR-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C(=O)N[C@H]2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)CC2)CC(F)(F)C1 ZINC001575605222 950455388 /nfs/dbraw/zinc/45/53/88/950455388.db2.gz BDZRFVXERIPINZ-XYPYZODXSA-N -1 1 392.414 1.931 20 0 GDADMM CC1(C(=O)N[C@H]2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)CC2)CC(F)(F)C1 ZINC001575605222 950455404 /nfs/dbraw/zinc/45/54/04/950455404.db2.gz BDZRFVXERIPINZ-XYPYZODXSA-N -1 1 392.414 1.931 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc2c(c1)CCCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574752310 950476706 /nfs/dbraw/zinc/47/67/06/950476706.db2.gz AMDMQNQFSSQHQR-ZDUSSCGKSA-N -1 1 392.467 1.530 20 0 GDADMM C[C@@H](CC(=O)NCCN(c1nccnc1-c1nnn[n-]1)C1CC1)n1cccc1 ZINC001574508684 950480168 /nfs/dbraw/zinc/48/01/68/950480168.db2.gz MCDDANGXAQVMQK-ZDUSSCGKSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](CC(=O)NCCN(c1nccnc1-c1nn[n-]n1)C1CC1)n1cccc1 ZINC001574508684 950480181 /nfs/dbraw/zinc/48/01/81/950480181.db2.gz MCDDANGXAQVMQK-ZDUSSCGKSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)C1CCC(F)(F)CC1 ZINC001575913266 950484240 /nfs/dbraw/zinc/48/42/40/950484240.db2.gz JEDBNVVCTAOGIX-JQWIXIFHSA-N -1 1 392.414 1.884 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)C1CCC(F)(F)CC1 ZINC001575913266 950484253 /nfs/dbraw/zinc/48/42/53/950484253.db2.gz JEDBNVVCTAOGIX-JQWIXIFHSA-N -1 1 392.414 1.884 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc(Cl)c(F)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574753588 950530220 /nfs/dbraw/zinc/53/02/20/950530220.db2.gz PYRNPLOVUYIJDY-VIFPVBQESA-N -1 1 390.810 1.444 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001573868197 950536037 /nfs/dbraw/zinc/53/60/37/950536037.db2.gz AHJQDAQSNFPJPG-GFCCVEGCSA-N -1 1 376.465 1.415 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573868197 950536060 /nfs/dbraw/zinc/53/60/60/950536060.db2.gz AHJQDAQSNFPJPG-GFCCVEGCSA-N -1 1 376.465 1.415 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc(Cl)s1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574753821 950545735 /nfs/dbraw/zinc/54/57/35/950545735.db2.gz SXZJNBKMIGIAQK-QMMMGPOBSA-N -1 1 378.849 1.366 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C1CCCC1 ZINC001573868917 950551073 /nfs/dbraw/zinc/55/10/73/950551073.db2.gz IHMUVNBAGNIKDG-CYBMUJFWSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C1CCCC1 ZINC001573868917 950551091 /nfs/dbraw/zinc/55/10/91/950551091.db2.gz IHMUVNBAGNIKDG-CYBMUJFWSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)OCC(=O)NC1CC2(C1)CC(Nc1nccnc1-c1nnn[n-]1)C2 ZINC001573869414 950566084 /nfs/dbraw/zinc/56/60/84/950566084.db2.gz PJAMSRHCOIEISH-UHFFFAOYSA-N -1 1 386.460 1.311 20 0 GDADMM CC(C)(C)OCC(=O)NC1CC2(C1)CC(Nc1nccnc1-c1nn[n-]n1)C2 ZINC001573869414 950566098 /nfs/dbraw/zinc/56/60/98/950566098.db2.gz PJAMSRHCOIEISH-UHFFFAOYSA-N -1 1 386.460 1.311 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C(C)(C)C ZINC001573869984 950579327 /nfs/dbraw/zinc/57/93/27/950579327.db2.gz TVFKNXUOSOTBFC-LLVKDONJSA-N -1 1 376.465 1.415 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C(C)(C)C ZINC001573869984 950579344 /nfs/dbraw/zinc/57/93/44/950579344.db2.gz TVFKNXUOSOTBFC-LLVKDONJSA-N -1 1 376.465 1.415 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575616091 950580625 /nfs/dbraw/zinc/58/06/25/950580625.db2.gz LZHVUQRUDWPNIH-GFCCVEGCSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nnn[n-]2)C1(C)C ZINC001575615967 950582733 /nfs/dbraw/zinc/58/27/33/950582733.db2.gz JZCUADIYMRJDHN-UTUOFQBUSA-N -1 1 382.472 1.565 20 0 GDADMM CC1(C)C(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nn[n-]n2)C1(C)C ZINC001575615967 950582752 /nfs/dbraw/zinc/58/27/52/950582752.db2.gz JZCUADIYMRJDHN-UTUOFQBUSA-N -1 1 382.472 1.565 20 0 GDADMM CC(C)CCC(=O)N1CCC[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CC[C@@H]21 ZINC001574173019 950588848 /nfs/dbraw/zinc/58/88/48/950588848.db2.gz DRHMGCMSOQPFAB-ZBFHGGJFSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CCC(=O)N1CCC[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CC[C@@H]21 ZINC001574173019 950588866 /nfs/dbraw/zinc/58/88/66/950588866.db2.gz DRHMGCMSOQPFAB-ZBFHGGJFSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C ZINC001573870433 950590051 /nfs/dbraw/zinc/59/00/51/950590051.db2.gz WDTNGAKDCIGPTB-LBPRGKRZSA-N -1 1 388.476 1.193 20 0 GDADMM CC(C)n1cc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@H]2C)cn1 ZINC001575918432 950590277 /nfs/dbraw/zinc/59/02/77/950590277.db2.gz BVUZCEGLZTUJSD-YPMHNXCESA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1cc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@H]2C)cn1 ZINC001575918432 950590291 /nfs/dbraw/zinc/59/02/91/950590291.db2.gz BVUZCEGLZTUJSD-YPMHNXCESA-N -1 1 382.432 1.149 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@H](C)c1cccc(F)c1 ZINC001574512855 950590529 /nfs/dbraw/zinc/59/05/29/950590529.db2.gz DSODYSMWCRHILT-NWDGAFQWSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@H](C)c1cccc(F)c1 ZINC001574512855 950590549 /nfs/dbraw/zinc/59/05/49/950590549.db2.gz DSODYSMWCRHILT-NWDGAFQWSA-N -1 1 384.419 1.906 20 0 GDADMM CC(C)n1cc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H]2C)cn1 ZINC001575918428 950592896 /nfs/dbraw/zinc/59/28/96/950592896.db2.gz BVUZCEGLZTUJSD-AAEUAGOBSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1cc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H]2C)cn1 ZINC001575918428 950592912 /nfs/dbraw/zinc/59/29/12/950592912.db2.gz BVUZCEGLZTUJSD-AAEUAGOBSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)CCC(=O)N1CCC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CC[C@H]21 ZINC001574173722 950603930 /nfs/dbraw/zinc/60/39/30/950603930.db2.gz MCYXKNPTRFPIME-LSDHHAIUSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1scnc1Cl ZINC001575919339 950608304 /nfs/dbraw/zinc/60/83/04/950608304.db2.gz GSPRZBVYMCNJES-SFYZADRCSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1scnc1Cl ZINC001575919339 950608319 /nfs/dbraw/zinc/60/83/19/950608319.db2.gz GSPRZBVYMCNJES-SFYZADRCSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1occ2c1CCC2 ZINC001575919330 950609659 /nfs/dbraw/zinc/60/96/59/950609659.db2.gz GQIRVWCPRJDOKO-GXFFZTMASA-N -1 1 380.412 1.454 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1occ2c1CCC2 ZINC001575919330 950609674 /nfs/dbraw/zinc/60/96/74/950609674.db2.gz GQIRVWCPRJDOKO-GXFFZTMASA-N -1 1 380.412 1.454 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@@H](C)c1ccc(F)cc1 ZINC001574513727 950614834 /nfs/dbraw/zinc/61/48/34/950614834.db2.gz WYRFUJFZIMHOLT-VXGBXAGGSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@@H](C)c1ccc(F)cc1 ZINC001574513727 950614850 /nfs/dbraw/zinc/61/48/50/950614850.db2.gz WYRFUJFZIMHOLT-VXGBXAGGSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cnc(C2CC2)o1 ZINC001575920510 950632400 /nfs/dbraw/zinc/63/24/00/950632400.db2.gz MISZEDZKRRLYPP-ONGXEEELSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cnc(C2CC2)o1 ZINC001575920510 950632418 /nfs/dbraw/zinc/63/24/18/950632418.db2.gz MISZEDZKRRLYPP-ONGXEEELSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@H](CNC(=O)c1cc2c(o1)CCCC2)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575001499 950632961 /nfs/dbraw/zinc/63/29/61/950632961.db2.gz LRUOUOCDGXFRLR-NSHDSACASA-N -1 1 382.428 1.028 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)[C@@H]1CCCO1 ZINC001574516408 950635442 /nfs/dbraw/zinc/63/54/42/950635442.db2.gz ICHXZGVRQQSYLN-ABHRYQDASA-N -1 1 386.460 1.169 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)[C@@H]1CCCO1 ZINC001574516408 950635458 /nfs/dbraw/zinc/63/54/58/950635458.db2.gz ICHXZGVRQQSYLN-ABHRYQDASA-N -1 1 386.460 1.169 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)ccc1F)Nc1nccnc1-c1nnn[n-]1 ZINC001575001662 950639441 /nfs/dbraw/zinc/63/94/41/950639441.db2.gz XOAGUIKSWAHWGK-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)ccc1F)Nc1nccnc1-c1nn[n-]n1 ZINC001575001662 950639460 /nfs/dbraw/zinc/63/94/60/950639460.db2.gz XOAGUIKSWAHWGK-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM CC(C)(C)O[C@@H]1C[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1(C)C ZINC001573873513 950646527 /nfs/dbraw/zinc/64/65/27/950646527.db2.gz NQBBYEPLENWKDR-QWHCGFSZSA-N -1 1 380.474 1.522 20 0 GDADMM CC(C)(C)O[C@@H]1C[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1(C)C ZINC001573873513 950646537 /nfs/dbraw/zinc/64/65/37/950646537.db2.gz NQBBYEPLENWKDR-QWHCGFSZSA-N -1 1 380.474 1.522 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)c(Cl)[nH]1)Nc1nccnc1-c1nnn[n-]1 ZINC001575002069 950649281 /nfs/dbraw/zinc/64/92/81/950649281.db2.gz YUZHMHIXKYVABT-ZCFIWIBFSA-N -1 1 382.215 1.522 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)c(Cl)[nH]1)Nc1nccnc1-c1nn[n-]n1 ZINC001575002069 950649295 /nfs/dbraw/zinc/64/92/95/950649295.db2.gz YUZHMHIXKYVABT-ZCFIWIBFSA-N -1 1 382.215 1.522 20 0 GDADMM CCN1CCN(c2ccc(CNC(=O)NCCCCCC(=O)[O-])cn2)CC1 ZINC001589744551 950660147 /nfs/dbraw/zinc/66/01/47/950660147.db2.gz RZAKOIRINDVXFA-UHFFFAOYSA-N -1 1 377.489 1.668 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cccc2c1OCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574760317 950664926 /nfs/dbraw/zinc/66/49/26/950664926.db2.gz VOVKSXJHBJXDDU-NSHDSACASA-N -1 1 380.412 1.164 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cccc2c1OCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574760317 950664936 /nfs/dbraw/zinc/66/49/36/950664936.db2.gz VOVKSXJHBJXDDU-NSHDSACASA-N -1 1 380.412 1.164 20 0 GDADMM CC1(C)CC(C(=O)N2CCC[C@H]3[C@H]2CCN3c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575624151 950666398 /nfs/dbraw/zinc/66/63/98/950666398.db2.gz GZGHAMMPJZYPDP-LSDHHAIUSA-N -1 1 382.472 1.663 20 0 GDADMM CC1(C)CC(C(=O)N2CCC[C@H]3[C@H]2CCN3c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575624151 950666408 /nfs/dbraw/zinc/66/64/08/950666408.db2.gz GZGHAMMPJZYPDP-LSDHHAIUSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1csc(Cl)n1 ZINC001575924203 950669233 /nfs/dbraw/zinc/66/92/33/950669233.db2.gz DWSARGOXIAIOKA-YUMQZZPRSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1csc(Cl)n1 ZINC001575924203 950669239 /nfs/dbraw/zinc/66/92/39/950669239.db2.gz DWSARGOXIAIOKA-YUMQZZPRSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cc(F)cc(F)c1 ZINC001575924896 950677324 /nfs/dbraw/zinc/67/73/24/950677324.db2.gz FYUZZBBDRDHQRM-RNCFNFMXSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cc(F)cc(F)c1 ZINC001575924896 950677333 /nfs/dbraw/zinc/67/73/33/950677333.db2.gz FYUZZBBDRDHQRM-RNCFNFMXSA-N -1 1 386.366 1.650 20 0 GDADMM CC1(C)CC(C(=O)N2CC[C@H]3[C@@H](CCN3c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001575625795 950697022 /nfs/dbraw/zinc/69/70/22/950697022.db2.gz WNUWFQRGSMIFEX-WFASDCNBSA-N -1 1 382.472 1.520 20 0 GDADMM CC1(C)CC(C(=O)N2CC[C@H]3[C@@H](CCN3c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001575625795 950697031 /nfs/dbraw/zinc/69/70/31/950697031.db2.gz WNUWFQRGSMIFEX-WFASDCNBSA-N -1 1 382.472 1.520 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573878083 950701708 /nfs/dbraw/zinc/70/17/08/950701708.db2.gz JYBHTPKVGXZUKF-BFHYXJOUSA-N -1 1 384.488 1.554 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cccc2c1OCC2 ZINC001575926136 950701889 /nfs/dbraw/zinc/70/18/89/950701889.db2.gz IWDFIKHSOYGFRR-SMDDNHRTSA-N -1 1 392.423 1.307 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cccc2c1OCC2 ZINC001575926136 950701907 /nfs/dbraw/zinc/70/19/07/950701907.db2.gz IWDFIKHSOYGFRR-SMDDNHRTSA-N -1 1 392.423 1.307 20 0 GDADMM CC1(C)[C@H](NC(=O)CCCF)[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)[C@@H]21 ZINC001575626379 950710097 /nfs/dbraw/zinc/71/00/97/950710097.db2.gz ZDWXLIQYYVMBNN-XZJROXQQSA-N -1 1 388.451 1.516 20 0 GDADMM CC1(C)[C@H](NC(=O)CCCF)[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)[C@@H]21 ZINC001575626379 950710109 /nfs/dbraw/zinc/71/01/09/950710109.db2.gz ZDWXLIQYYVMBNN-XZJROXQQSA-N -1 1 388.451 1.516 20 0 GDADMM CC1(C)[C@H](NC(=O)CC2CC2)[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)[C@H]21 ZINC001575626458 950713797 /nfs/dbraw/zinc/71/37/97/950713797.db2.gz ZPABQARPNOFGEE-DAXOMENPSA-N -1 1 382.472 1.566 20 0 GDADMM CC1(C)C2CCC1(C(=O)NCC=CCNc1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001575626411 950714961 /nfs/dbraw/zinc/71/49/61/950714961.db2.gz ZOJPDKLTSXOMOK-ONEGZZNKSA-N -1 1 382.472 1.957 20 0 GDADMM CC1(C)C2CCC1(C(=O)NCC=CCNc1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001575626411 950714987 /nfs/dbraw/zinc/71/49/87/950714987.db2.gz ZOJPDKLTSXOMOK-ONEGZZNKSA-N -1 1 382.472 1.957 20 0 GDADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cccc2c1CCC2 ZINC001575926666 950717585 /nfs/dbraw/zinc/71/75/85/950717585.db2.gz YCDPIULLNXPKBV-BLLLJJGKSA-N -1 1 390.451 1.282 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001573878613 950720168 /nfs/dbraw/zinc/72/01/68/950720168.db2.gz WOAYMBRIADYXQA-BFHYXJOUSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ocnc1C(F)F ZINC001575926900 950726883 /nfs/dbraw/zinc/72/68/83/950726883.db2.gz MSTFGHFXARFZJJ-YUMQZZPRSA-N -1 1 391.342 1.297 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ocnc1C(F)F ZINC001575926900 950726901 /nfs/dbraw/zinc/72/69/01/950726901.db2.gz MSTFGHFXARFZJJ-YUMQZZPRSA-N -1 1 391.342 1.297 20 0 GDADMM CC1(C)CC(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nnn[n-]2)C1 ZINC001575629337 950734117 /nfs/dbraw/zinc/73/41/17/950734117.db2.gz MNBNPIUFNYEVTN-AGUYFDCRSA-N -1 1 382.472 1.709 20 0 GDADMM CC1(C)CC(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nn[n-]n2)C1 ZINC001575629337 950734132 /nfs/dbraw/zinc/73/41/32/950734132.db2.gz MNBNPIUFNYEVTN-AGUYFDCRSA-N -1 1 382.472 1.709 20 0 GDADMM CC1(C)CC(C(=O)NCC2(C)CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001575629378 950737286 /nfs/dbraw/zinc/73/72/86/950737286.db2.gz NPMRRAXXVVEAIL-UHFFFAOYSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C)CC(C(=O)NCC2(C)CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001575629378 950737296 /nfs/dbraw/zinc/73/72/96/950737296.db2.gz NPMRRAXXVVEAIL-UHFFFAOYSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cncc(Cl)c1 ZINC001575927643 950746398 /nfs/dbraw/zinc/74/63/98/950746398.db2.gz RFDXGPRSJWTLQD-JOYOIKCWSA-N -1 1 385.819 1.420 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cncc(Cl)c1 ZINC001575927643 950746406 /nfs/dbraw/zinc/74/64/06/950746406.db2.gz RFDXGPRSJWTLQD-JOYOIKCWSA-N -1 1 385.819 1.420 20 0 GDADMM CC(C)(C)c1cccc(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001573881228 950747142 /nfs/dbraw/zinc/74/71/42/950747142.db2.gz AJTIDMHKXNROQI-HNNXBMFYSA-N -1 1 392.467 1.963 20 0 GDADMM CC(C)(C)c1cccc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001573881228 950747157 /nfs/dbraw/zinc/74/71/57/950747157.db2.gz AJTIDMHKXNROQI-HNNXBMFYSA-N -1 1 392.467 1.963 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCCn1cccc1 ZINC001575927638 950748848 /nfs/dbraw/zinc/74/88/48/950748848.db2.gz REQGNWKJCPHDDX-KGLIPLIRSA-N -1 1 381.444 1.340 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCCn1cccc1 ZINC001575927638 950748884 /nfs/dbraw/zinc/74/88/84/950748884.db2.gz REQGNWKJCPHDDX-KGLIPLIRSA-N -1 1 381.444 1.340 20 0 GDADMM CC1(C)CC(C(=O)N[C@@]23CCC[C@@H]2N(c2cncc(-c4nnn[n-]4)n2)CC3)C1 ZINC001575629921 950749505 /nfs/dbraw/zinc/74/95/05/950749505.db2.gz UMVSHEIAHRXAPJ-IFXJQAMLSA-N -1 1 382.472 1.711 20 0 GDADMM CC1(C)CC(C(=O)N[C@@]23CCC[C@@H]2N(c2cncc(-c4nn[n-]n4)n2)CC3)C1 ZINC001575629921 950749522 /nfs/dbraw/zinc/74/95/22/950749522.db2.gz UMVSHEIAHRXAPJ-IFXJQAMLSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1cccs1 ZINC001575927839 950759349 /nfs/dbraw/zinc/75/93/49/950759349.db2.gz VFCGARWZMBHTBW-WCQYABFASA-N -1 1 384.469 1.752 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1cccs1 ZINC001575927839 950759361 /nfs/dbraw/zinc/75/93/61/950759361.db2.gz VFCGARWZMBHTBW-WCQYABFASA-N -1 1 384.469 1.752 20 0 GDADMM CC(C)(C)c1ccc(CNC(=O)NCc2nc(-c3nnn[n-]3)cs2)c(=O)[nH]1 ZINC001573882058 950768439 /nfs/dbraw/zinc/76/84/39/950768439.db2.gz PWEODSVFWZKTER-UHFFFAOYSA-N -1 1 388.457 1.721 20 0 GDADMM CC(C)(C)c1ccc(CNC(=O)NCc2nc(-c3nn[n-]n3)cs2)c(=O)[nH]1 ZINC001573882058 950768451 /nfs/dbraw/zinc/76/84/51/950768451.db2.gz PWEODSVFWZKTER-UHFFFAOYSA-N -1 1 388.457 1.721 20 0 GDADMM CC(C)c1nc(C(=O)N(C)C[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)cs1 ZINC001574764987 950769772 /nfs/dbraw/zinc/76/97/72/950769772.db2.gz BFYKXTQVARIJHY-SNVBAGLBSA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)c1nc(C(=O)N(C)C[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)cs1 ZINC001574764987 950769792 /nfs/dbraw/zinc/76/97/92/950769792.db2.gz BFYKXTQVARIJHY-SNVBAGLBSA-N -1 1 387.473 1.809 20 0 GDADMM C[C@@H](CN(C)C(=O)c1csnn1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574765051 950773840 /nfs/dbraw/zinc/77/38/40/950773840.db2.gz CLVRRYNDRLIDBU-YFKPBYRVSA-N -1 1 385.866 1.401 20 0 GDADMM C[C@@H](CN(C)C(=O)c1csnn1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574765051 950773857 /nfs/dbraw/zinc/77/38/57/950773857.db2.gz CLVRRYNDRLIDBU-YFKPBYRVSA-N -1 1 385.866 1.401 20 0 GDADMM CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001574184095 950776945 /nfs/dbraw/zinc/77/69/45/950776945.db2.gz DGKJXYJRFOYKCJ-NSHDSACASA-N -1 1 378.437 1.858 20 0 GDADMM CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001574184095 950776957 /nfs/dbraw/zinc/77/69/57/950776957.db2.gz DGKJXYJRFOYKCJ-NSHDSACASA-N -1 1 378.437 1.858 20 0 GDADMM CC(C)CC[C@@H](NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C(C)(C)C ZINC001574184823 950787153 /nfs/dbraw/zinc/78/71/53/950787153.db2.gz OHZXMWSUILIEHY-CYBMUJFWSA-N -1 1 391.476 1.486 20 0 GDADMM CC(C)(C)c1ccccc1NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001573884264 950792869 /nfs/dbraw/zinc/79/28/69/950792869.db2.gz LWHASWVWCQXVAL-UHFFFAOYSA-N -1 1 383.412 1.455 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccc(Cl)cn1 ZINC001575930037 950793625 /nfs/dbraw/zinc/79/36/25/950793625.db2.gz DHAPJUPMGFTVPN-GXSJLCMTSA-N -1 1 385.819 1.420 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(Cl)cn1 ZINC001575930037 950793639 /nfs/dbraw/zinc/79/36/39/950793639.db2.gz DHAPJUPMGFTVPN-GXSJLCMTSA-N -1 1 385.819 1.420 20 0 GDADMM CC1(C)CC(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575632498 950802779 /nfs/dbraw/zinc/80/27/79/950802779.db2.gz JZOPMXSHVYCVMS-NFAWXSAZSA-N -1 1 382.472 1.709 20 0 GDADMM CC1(C)CC(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575632498 950802799 /nfs/dbraw/zinc/80/27/99/950802799.db2.gz JZOPMXSHVYCVMS-NFAWXSAZSA-N -1 1 382.472 1.709 20 0 GDADMM CC(C)c1scnc1C(=O)N(C)C[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574766318 950812845 /nfs/dbraw/zinc/81/28/45/950812845.db2.gz IDJDKDYXASCUTC-SNVBAGLBSA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)c1scnc1C(=O)N(C)C[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574766318 950812864 /nfs/dbraw/zinc/81/28/64/950812864.db2.gz IDJDKDYXASCUTC-SNVBAGLBSA-N -1 1 387.473 1.809 20 0 GDADMM CC1(C)CC(CC(=O)NC[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001575633294 950817775 /nfs/dbraw/zinc/81/77/75/950817775.db2.gz RPJROXCKUACHAP-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C)CC(CC(=O)NCC[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001575633771 950820499 /nfs/dbraw/zinc/82/04/99/950820499.db2.gz WWIWSXGTNFPSCK-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C)CC(CC(=O)NCC[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001575633771 950820520 /nfs/dbraw/zinc/82/05/20/950820520.db2.gz WWIWSXGTNFPSCK-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H]1[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCN1C(=O)c1cncnc1 ZINC001575932202 950822715 /nfs/dbraw/zinc/82/27/15/950822715.db2.gz KKIUPQHCWMXKEE-IONNQARKSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001575932233 950824454 /nfs/dbraw/zinc/82/44/54/950824454.db2.gz KXCOWKRKQPDGTF-PRDIBSGMSA-N -1 1 380.456 1.350 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001575932233 950824478 /nfs/dbraw/zinc/82/44/78/950824478.db2.gz KXCOWKRKQPDGTF-PRDIBSGMSA-N -1 1 380.456 1.350 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCc1ccsc1 ZINC001575933221 950835460 /nfs/dbraw/zinc/83/54/60/950835460.db2.gz NIOUANASMLVIGS-WCQYABFASA-N -1 1 384.469 1.752 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1ccsc1 ZINC001575933221 950835476 /nfs/dbraw/zinc/83/54/76/950835476.db2.gz NIOUANASMLVIGS-WCQYABFASA-N -1 1 384.469 1.752 20 0 GDADMM CC1(C)C[C@@H](NC(=O)[C@@H]2CC23CC3)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575638683 950848096 /nfs/dbraw/zinc/84/80/96/950848096.db2.gz IITKGFCCGWMZLD-STQMWFEESA-N -1 1 382.472 1.568 20 0 GDADMM CC1(C)C[C@@H](NC(=O)[C@@H]2CC23CC3)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575638683 950848121 /nfs/dbraw/zinc/84/81/21/950848121.db2.gz IITKGFCCGWMZLD-STQMWFEESA-N -1 1 382.472 1.568 20 0 GDADMM CC(C)(C)c1ocnc1C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573887687 950853760 /nfs/dbraw/zinc/85/37/60/950853760.db2.gz IUXCTHRJMZSNJQ-AOOOYVTPSA-N -1 1 383.416 1.315 20 0 GDADMM CC(C)(C)c1ocnc1C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573887687 950853785 /nfs/dbraw/zinc/85/37/85/950853785.db2.gz IUXCTHRJMZSNJQ-AOOOYVTPSA-N -1 1 383.416 1.315 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(S(C)(=O)=O)o2)n1 ZINC001573888697 950873166 /nfs/dbraw/zinc/87/31/66/950873166.db2.gz YUWXGTUWVCBNEE-UHFFFAOYSA-N -1 1 379.402 1.067 20 0 GDADMM C[C@H]1CN(C(=O)C2Cc3ccccc3C2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576226430 950882585 /nfs/dbraw/zinc/88/25/85/950882585.db2.gz BHFPFROURKDOQU-YVEFUNNKSA-N -1 1 390.451 1.331 20 0 GDADMM C[C@H]1CN(C(=O)C2Cc3ccccc3C2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576226430 950882599 /nfs/dbraw/zinc/88/25/99/950882599.db2.gz BHFPFROURKDOQU-YVEFUNNKSA-N -1 1 390.451 1.331 20 0 GDADMM CC(C)(CC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001573893647 950894968 /nfs/dbraw/zinc/89/49/68/950894968.db2.gz PIISYYNHAGHWSA-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)(CC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001573893647 950894984 /nfs/dbraw/zinc/89/49/84/950894984.db2.gz PIISYYNHAGHWSA-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM CCOC(=O)CC(C)(C)CC[N@H+]1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001590345391 950901053 /nfs/dbraw/zinc/90/10/53/950901053.db2.gz AVKMOSLKUMZVSP-DGCLKSJQSA-N -1 1 396.406 1.952 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1cscn1 ZINC001575936497 950917366 /nfs/dbraw/zinc/91/73/66/950917366.db2.gz FQLYKQAYOKUMST-CMPLNLGQSA-N -1 1 385.457 1.147 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1cscn1 ZINC001575936497 950917371 /nfs/dbraw/zinc/91/73/71/950917371.db2.gz FQLYKQAYOKUMST-CMPLNLGQSA-N -1 1 385.457 1.147 20 0 GDADMM CC(C)CCCC(=O)NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1 ZINC001574190887 950920243 /nfs/dbraw/zinc/92/02/43/950920243.db2.gz DOBGUNVYBPWHCX-AWEZNQCLSA-N -1 1 388.476 1.195 20 0 GDADMM CC(C)CCCC(=O)NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1 ZINC001574190887 950920260 /nfs/dbraw/zinc/92/02/60/950920260.db2.gz DOBGUNVYBPWHCX-AWEZNQCLSA-N -1 1 388.476 1.195 20 0 GDADMM CC(C)(C)n1ccc(C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)n1 ZINC001573894653 950932504 /nfs/dbraw/zinc/93/25/04/950932504.db2.gz WHUIOAHCHFBLOP-UHFFFAOYSA-N -1 1 386.485 1.494 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001573900394 951002400 /nfs/dbraw/zinc/00/24/00/951002400.db2.gz ZPSBYBONBRPWNW-UHFFFAOYSA-N -1 1 384.366 1.696 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001573900394 951002422 /nfs/dbraw/zinc/00/24/22/951002422.db2.gz ZPSBYBONBRPWNW-UHFFFAOYSA-N -1 1 384.366 1.696 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575017609 951003390 /nfs/dbraw/zinc/00/33/90/951003390.db2.gz IBJIUKTUIOLZCU-SECBINFHSA-N -1 1 392.345 1.906 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575017609 951003412 /nfs/dbraw/zinc/00/34/12/951003412.db2.gz IBJIUKTUIOLZCU-SECBINFHSA-N -1 1 392.345 1.906 20 0 GDADMM O=C([O-])C[C@@H]1CCCCN1C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O ZINC001594984592 951011367 /nfs/dbraw/zinc/01/13/67/951011367.db2.gz NKEDHHCKFOUPEJ-ZDUSSCGKSA-N -1 1 396.465 1.646 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)F)nc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575019686 951041278 /nfs/dbraw/zinc/04/12/78/951041278.db2.gz UXTHLUVBDIITHO-QMMMGPOBSA-N -1 1 375.343 1.220 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)F)nc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575019686 951041291 /nfs/dbraw/zinc/04/12/91/951041291.db2.gz UXTHLUVBDIITHO-QMMMGPOBSA-N -1 1 375.343 1.220 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)c(C(F)F)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001575021557 951063511 /nfs/dbraw/zinc/06/35/11/951063511.db2.gz DASWSTXTDJAJED-QMMMGPOBSA-N -1 1 392.345 1.964 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)c(C(F)F)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001575021557 951063521 /nfs/dbraw/zinc/06/35/21/951063521.db2.gz DASWSTXTDJAJED-QMMMGPOBSA-N -1 1 392.345 1.964 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)c(Cl)c1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575024257 951097132 /nfs/dbraw/zinc/09/71/32/951097132.db2.gz ZBTRKKNUAXECQI-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)c(Cl)c1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575024257 951097141 /nfs/dbraw/zinc/09/71/41/951097141.db2.gz ZBTRKKNUAXECQI-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)c(F)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575024275 951100542 /nfs/dbraw/zinc/10/05/42/951100542.db2.gz ZIXLKRFIRHPVIM-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)c(F)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575024275 951100550 /nfs/dbraw/zinc/10/05/50/951100550.db2.gz ZIXLKRFIRHPVIM-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CNC(=O)c1ccc(N(C)C)cc1F)Nc1nccnc1-c1nnn[n-]1 ZINC001575024490 951103479 /nfs/dbraw/zinc/10/34/79/951103479.db2.gz FPOCMVFPHJNVGS-SNVBAGLBSA-N -1 1 385.407 1.092 20 0 GDADMM C[C@H](CNC(=O)c1ccc(N(C)C)cc1F)Nc1nccnc1-c1nn[n-]n1 ZINC001575024490 951103485 /nfs/dbraw/zinc/10/34/85/951103485.db2.gz FPOCMVFPHJNVGS-SNVBAGLBSA-N -1 1 385.407 1.092 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)cc1Cl)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575024582 951110810 /nfs/dbraw/zinc/11/08/10/951110810.db2.gz IDRRCOLPPYMCID-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)COC2)CNc1nccnc1-c1nnn[n-]1 ZINC001575024929 951120143 /nfs/dbraw/zinc/12/01/43/951120143.db2.gz PZUJEGPXQIUAGR-LLVKDONJSA-N -1 1 380.412 1.165 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)COC2)CNc1nccnc1-c1nn[n-]n1 ZINC001575024929 951120148 /nfs/dbraw/zinc/12/01/48/951120148.db2.gz PZUJEGPXQIUAGR-LLVKDONJSA-N -1 1 380.412 1.165 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCCC2)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575025379 951131303 /nfs/dbraw/zinc/13/13/03/951131303.db2.gz YRNGXVOMUNCVKT-CYBMUJFWSA-N -1 1 392.467 1.435 20 0 GDADMM C[C@H](CNC(=O)c1ccc2ncccc2c1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575026249 951140285 /nfs/dbraw/zinc/14/02/85/951140285.db2.gz HQMHOPVFZBVUQZ-LBPRGKRZSA-N -1 1 389.423 1.683 20 0 GDADMM C[C@H](CNC(=O)c1ccc2ncccc2c1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575026249 951140295 /nfs/dbraw/zinc/14/02/95/951140295.db2.gz HQMHOPVFZBVUQZ-LBPRGKRZSA-N -1 1 389.423 1.683 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(Cl)c1F)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575027126 951152233 /nfs/dbraw/zinc/15/22/33/951152233.db2.gz PQRBHDRYYDVOQN-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1ccccc1O)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575030093 951191165 /nfs/dbraw/zinc/19/11/65/951191165.db2.gz ZSVPTJSBZCDNDU-ZETCQYMHSA-N -1 1 379.833 1.913 20 0 GDADMM C[C@@H](CNC(=O)c1ccccc1O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575030093 951191172 /nfs/dbraw/zinc/19/11/72/951191172.db2.gz ZSVPTJSBZCDNDU-ZETCQYMHSA-N -1 1 379.833 1.913 20 0 GDADMM C[C@@H](CNC(=O)c1ccncc1F)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575034240 951242203 /nfs/dbraw/zinc/24/22/03/951242203.db2.gz KDVGYEUTAJANCD-LURJTMIESA-N -1 1 382.812 1.741 20 0 GDADMM C[C@H](CNC(=O)c1ccncc1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575035296 951271674 /nfs/dbraw/zinc/27/16/74/951271674.db2.gz VVQOUGVLZXYOCB-MRVPVSSYSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@@H](CNC(=O)c1cnn(C)c1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575052795 951472018 /nfs/dbraw/zinc/47/20/18/951472018.db2.gz OJLIOUIHPSJIGE-ZETCQYMHSA-N -1 1 381.853 1.188 20 0 GDADMM C[C@@H](CNC(=O)c1cnn(C)c1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575052795 951472031 /nfs/dbraw/zinc/47/20/31/951472031.db2.gz OJLIOUIHPSJIGE-ZETCQYMHSA-N -1 1 381.853 1.188 20 0 GDADMM C[C@H](CNC(=O)c1csc(C(C)(C)C)n1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575057909 951532011 /nfs/dbraw/zinc/53/20/11/951532011.db2.gz SKWKDJNHLUHEEM-SECBINFHSA-N -1 1 387.473 1.063 20 0 GDADMM C[C@@H](CNC(=O)c1ncoc1C(C)(C)C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575067381 951611171 /nfs/dbraw/zinc/61/11/71/951611171.db2.gz LITIWKMLMDJOQT-JTQLQIEISA-N -1 1 385.432 1.197 20 0 GDADMM O=C([O-])C[NH+]1CCC(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)CC1 ZINC001595073929 951621868 /nfs/dbraw/zinc/62/18/68/951621868.db2.gz GAQKJVZUVOKZGJ-UHFFFAOYSA-N -1 1 389.452 1.546 20 0 GDADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)CCc1ccoc1)C1CC1 ZINC001575129224 952077187 /nfs/dbraw/zinc/07/71/87/952077187.db2.gz RIBZPGUYISVSIM-GOSISDBHSA-N -1 1 382.428 1.579 20 0 GDADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)CCc1ccoc1)C1CC1 ZINC001575129224 952077197 /nfs/dbraw/zinc/07/71/97/952077197.db2.gz RIBZPGUYISVSIM-GOSISDBHSA-N -1 1 382.428 1.579 20 0 GDADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)[C@H]1CCCC12CC2)C1CC1 ZINC001575129619 952084926 /nfs/dbraw/zinc/08/49/26/952084926.db2.gz XNNGRAQQNWCQLL-FZKQIMNGSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)[C@H]1CCCC12CC2)C1CC1 ZINC001575129619 952084930 /nfs/dbraw/zinc/08/49/30/952084930.db2.gz XNNGRAQQNWCQLL-FZKQIMNGSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)c1occc1Cl)C1CC1 ZINC001575132953 952099752 /nfs/dbraw/zinc/09/97/52/952099752.db2.gz IUTZDLAKGSILOU-MRXNPFEDSA-N -1 1 388.819 1.914 20 0 GDADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)c1occc1Cl)C1CC1 ZINC001575132953 952099759 /nfs/dbraw/zinc/09/97/59/952099759.db2.gz IUTZDLAKGSILOU-MRXNPFEDSA-N -1 1 388.819 1.914 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)C(C)(C)c1cccnc1 ZINC001575133550 952106168 /nfs/dbraw/zinc/10/61/68/952106168.db2.gz LAMKHLQVADYLLW-GFCCVEGCSA-N -1 1 381.444 1.288 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)C(C)(C)c1cccnc1 ZINC001575133550 952106172 /nfs/dbraw/zinc/10/61/72/952106172.db2.gz LAMKHLQVADYLLW-GFCCVEGCSA-N -1 1 381.444 1.288 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001575135439 952117900 /nfs/dbraw/zinc/11/79/00/952117900.db2.gz ROKVYVIDPWJGSA-SNVBAGLBSA-N -1 1 384.448 1.250 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)CC(C)(C)C(F)(F)F ZINC001575136965 952131064 /nfs/dbraw/zinc/13/10/64/952131064.db2.gz YLZOJWBXMIEPJA-SECBINFHSA-N -1 1 386.382 1.894 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)CC(C)(C)C(F)(F)F ZINC001575136965 952131067 /nfs/dbraw/zinc/13/10/67/952131067.db2.gz YLZOJWBXMIEPJA-SECBINFHSA-N -1 1 386.382 1.894 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1onc2c1CCCC2 ZINC001575137386 952137968 /nfs/dbraw/zinc/13/79/68/952137968.db2.gz XRFGPGJJOQFVGN-SNVBAGLBSA-N -1 1 383.416 1.096 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1onc2c1CCCC2 ZINC001575137386 952137973 /nfs/dbraw/zinc/13/79/73/952137973.db2.gz XRFGPGJJOQFVGN-SNVBAGLBSA-N -1 1 383.416 1.096 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1sccc1C1CC1 ZINC001575144867 952173220 /nfs/dbraw/zinc/17/32/20/952173220.db2.gz MYUHOGFVJQJOAD-JTQLQIEISA-N -1 1 384.469 1.590 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cccc2c1CCC2 ZINC001575144919 952173433 /nfs/dbraw/zinc/17/34/33/952173433.db2.gz NPYKONVOTBOYLN-GFCCVEGCSA-N -1 1 378.440 1.140 20 0 GDADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)C1CC(F)(F)C1)C1CC1 ZINC001575146588 952195604 /nfs/dbraw/zinc/19/56/04/952195604.db2.gz LUVMMUCTWHPIDK-HNNXBMFYSA-N -1 1 378.387 1.399 20 0 GDADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)C1CC(F)(F)C1)C1CC1 ZINC001575146588 952195607 /nfs/dbraw/zinc/19/56/07/952195607.db2.gz LUVMMUCTWHPIDK-HNNXBMFYSA-N -1 1 378.387 1.399 20 0 GDADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)CC[C@@H]1CCCO1)C1CC1 ZINC001575148096 952202379 /nfs/dbraw/zinc/20/23/79/952202379.db2.gz XIRVEQULRZDQPU-SCLBCKFNSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)CC[C@@H]1CCCO1)C1CC1 ZINC001575148096 952202383 /nfs/dbraw/zinc/20/23/83/952202383.db2.gz XIRVEQULRZDQPU-SCLBCKFNSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1CCc2cccnc21 ZINC001575154000 952215061 /nfs/dbraw/zinc/21/50/61/952215061.db2.gz NFBHSTATHCUWJZ-WCQYABFASA-N -1 1 379.428 1.041 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1CCc2cccnc21 ZINC001575154000 952215063 /nfs/dbraw/zinc/21/50/63/952215063.db2.gz NFBHSTATHCUWJZ-WCQYABFASA-N -1 1 379.428 1.041 20 0 GDADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)CCn1cccc1)C1CC1 ZINC001575153954 952215213 /nfs/dbraw/zinc/21/52/13/952215213.db2.gz MQLHYDRWBYREEG-GOSISDBHSA-N -1 1 381.444 1.245 20 0 GDADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)CCn1cccc1)C1CC1 ZINC001575153954 952215217 /nfs/dbraw/zinc/21/52/17/952215217.db2.gz MQLHYDRWBYREEG-GOSISDBHSA-N -1 1 381.444 1.245 20 0 GDADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)C1CCC(F)CC1)C1CC1 ZINC001575154273 952219565 /nfs/dbraw/zinc/21/95/65/952219565.db2.gz AGZNHQMAJPLMMC-LJMKFJKQSA-N -1 1 388.451 1.882 20 0 GDADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)C1CCC(F)CC1)C1CC1 ZINC001575154273 952219573 /nfs/dbraw/zinc/21/95/73/952219573.db2.gz AGZNHQMAJPLMMC-LJMKFJKQSA-N -1 1 388.451 1.882 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1csc(Cl)c1 ZINC001575154451 952223290 /nfs/dbraw/zinc/22/32/90/952223290.db2.gz DPDVNNUWPAOYNI-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1csc(Cl)c1 ZINC001575154451 952223298 /nfs/dbraw/zinc/22/32/98/952223298.db2.gz DPDVNNUWPAOYNI-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)c1cc(Cl)c[nH]1)C1CC1 ZINC001575155145 952235422 /nfs/dbraw/zinc/23/54/22/952235422.db2.gz WRWPPYBJQMIUOZ-INIZCTEOSA-N -1 1 387.835 1.649 20 0 GDADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)c1cc(Cl)c[nH]1)C1CC1 ZINC001575155145 952235428 /nfs/dbraw/zinc/23/54/28/952235428.db2.gz WRWPPYBJQMIUOZ-INIZCTEOSA-N -1 1 387.835 1.649 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cc(Cl)cs1 ZINC001575155797 952244164 /nfs/dbraw/zinc/24/41/64/952244164.db2.gz AINOGOMDMFFRAS-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(Cl)cs1 ZINC001575155797 952244170 /nfs/dbraw/zinc/24/41/70/952244170.db2.gz AINOGOMDMFFRAS-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ncsc1C1CC1 ZINC001575156591 952255198 /nfs/dbraw/zinc/25/51/98/952255198.db2.gz VGPBRUDGSVBESA-SECBINFHSA-N -1 1 385.457 1.563 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ncsc1C1CC1 ZINC001575156591 952255204 /nfs/dbraw/zinc/25/52/04/952255204.db2.gz VGPBRUDGSVBESA-SECBINFHSA-N -1 1 385.457 1.563 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1csc(Cl)n1 ZINC001575159022 952274166 /nfs/dbraw/zinc/27/41/66/952274166.db2.gz YCMJFBAZDNQHMG-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1csc(Cl)n1 ZINC001575159022 952274172 /nfs/dbraw/zinc/27/41/72/952274172.db2.gz YCMJFBAZDNQHMG-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cnn(C2CCC2)c1 ZINC001575159277 952277244 /nfs/dbraw/zinc/27/72/44/952277244.db2.gz ZFJDHVBGIOEECS-NSHDSACASA-N -1 1 382.432 1.151 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cnn(C2CCC2)c1 ZINC001575159277 952277247 /nfs/dbraw/zinc/27/72/47/952277247.db2.gz ZFJDHVBGIOEECS-NSHDSACASA-N -1 1 382.432 1.151 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)c1cccnc1 ZINC001575164041 952286125 /nfs/dbraw/zinc/28/61/25/952286125.db2.gz AZYBCTKWRTZTAB-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)c1cccnc1 ZINC001575164041 952286135 /nfs/dbraw/zinc/28/61/35/952286135.db2.gz AZYBCTKWRTZTAB-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)c1ccccn1 ZINC001575164372 952291225 /nfs/dbraw/zinc/29/12/25/952291225.db2.gz DSGFPQULHPQSTL-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)c1ccccn1 ZINC001575164372 952291234 /nfs/dbraw/zinc/29/12/34/952291234.db2.gz DSGFPQULHPQSTL-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)CC1(O)CCC1 ZINC001575165643 952311384 /nfs/dbraw/zinc/31/13/84/952311384.db2.gz QGIBXGRPQWIQKQ-QMMMGPOBSA-N -1 1 385.881 1.541 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)CC1(O)CCC1 ZINC001575165643 952311389 /nfs/dbraw/zinc/31/13/89/952311389.db2.gz QGIBXGRPQWIQKQ-QMMMGPOBSA-N -1 1 385.881 1.541 20 0 GDADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)[C@H]1CC1(F)F ZINC001575165911 952315744 /nfs/dbraw/zinc/31/57/44/952315744.db2.gz RCERQZURXLNUQG-NTSWFWBYSA-N -1 1 377.808 1.891 20 0 GDADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)c1cc(Cl)c[nH]1)C1CC1 ZINC001575173847 952358538 /nfs/dbraw/zinc/35/85/38/952358538.db2.gz BHCVKSBMJMFOBK-MRXNPFEDSA-N -1 1 387.835 1.649 20 0 GDADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)c1cc(Cl)c[nH]1)C1CC1 ZINC001575173847 952358545 /nfs/dbraw/zinc/35/85/45/952358545.db2.gz BHCVKSBMJMFOBK-MRXNPFEDSA-N -1 1 387.835 1.649 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)Cc1ccon1 ZINC001575176639 952396443 /nfs/dbraw/zinc/39/64/43/952396443.db2.gz FHBDJCXOLJOUOI-ZETCQYMHSA-N -1 1 382.837 1.466 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)Cc1ccon1 ZINC001575176639 952396447 /nfs/dbraw/zinc/39/64/47/952396447.db2.gz FHBDJCXOLJOUOI-ZETCQYMHSA-N -1 1 382.837 1.466 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cccnc1C(F)F ZINC001575177198 952398991 /nfs/dbraw/zinc/39/89/91/952398991.db2.gz HCQDRWHEIZKBHX-VIFPVBQESA-N -1 1 389.370 1.562 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cccnc1C(F)F ZINC001575177198 952399000 /nfs/dbraw/zinc/39/90/00/952399000.db2.gz HCQDRWHEIZKBHX-VIFPVBQESA-N -1 1 389.370 1.562 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cc(C(C)(C)C)on1 ZINC001575178867 952408796 /nfs/dbraw/zinc/40/87/96/952408796.db2.gz OJVGPYNXPNJOEN-JTQLQIEISA-N -1 1 385.432 1.515 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cc(C(C)(C)C)on1 ZINC001575178867 952408802 /nfs/dbraw/zinc/40/88/02/952408802.db2.gz OJVGPYNXPNJOEN-JTQLQIEISA-N -1 1 385.432 1.515 20 0 GDADMM C[C@@H](Cc1ccccn1)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC001575189827 952458484 /nfs/dbraw/zinc/45/84/84/952458484.db2.gz QVOXIJXMPYCQKC-JTQLQIEISA-N -1 1 378.845 1.825 20 0 GDADMM C[C@@H](Cc1ccccn1)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC001575189827 952458485 /nfs/dbraw/zinc/45/84/85/952458485.db2.gz QVOXIJXMPYCQKC-JTQLQIEISA-N -1 1 378.845 1.825 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575195832 952472255 /nfs/dbraw/zinc/47/22/55/952472255.db2.gz BVDZXQYMEPYCEI-ZDUSSCGKSA-N -1 1 382.428 1.167 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575195832 952472257 /nfs/dbraw/zinc/47/22/57/952472257.db2.gz BVDZXQYMEPYCEI-ZDUSSCGKSA-N -1 1 382.428 1.167 20 0 GDADMM COC(=O)c1cnc(N(C(=O)c2ccc(-c3nnn[n-]3)s2)C2CC2)s1 ZINC001571119921 952497381 /nfs/dbraw/zinc/49/73/81/952497381.db2.gz HOLBEDKRGUWSGS-UHFFFAOYSA-N -1 1 376.423 1.981 20 0 GDADMM COC(=O)c1cnc(N(C(=O)c2ccc(-c3nn[n-]n3)s2)C2CC2)s1 ZINC001571119921 952497384 /nfs/dbraw/zinc/49/73/84/952497384.db2.gz HOLBEDKRGUWSGS-UHFFFAOYSA-N -1 1 376.423 1.981 20 0 GDADMM O=C(NCc1ccc(CNc2cnc(-c3nnn[n-]3)cn2)cc1)[C@@H]1CC12CC2 ZINC001571120150 952500204 /nfs/dbraw/zinc/50/02/04/952500204.db2.gz KCGSOMLCUFWTRE-AWEZNQCLSA-N -1 1 376.424 1.685 20 0 GDADMM O=C(NCc1ccc(CNc2cnc(-c3nn[n-]n3)cn2)cc1)[C@@H]1CC12CC2 ZINC001571120150 952500208 /nfs/dbraw/zinc/50/02/08/952500208.db2.gz KCGSOMLCUFWTRE-AWEZNQCLSA-N -1 1 376.424 1.685 20 0 GDADMM O=C(c1coc(C(F)F)c1)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571120377 952502499 /nfs/dbraw/zinc/50/24/99/952502499.db2.gz KPROHEKJNWLQAB-VIFPVBQESA-N -1 1 376.327 1.514 20 0 GDADMM O=C(c1coc(C(F)F)c1)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571120377 952502504 /nfs/dbraw/zinc/50/25/04/952502504.db2.gz KPROHEKJNWLQAB-VIFPVBQESA-N -1 1 376.327 1.514 20 0 GDADMM C[C@](O)(CNc1ccc(-c2nnn[n-]2)nn1)c1ccccc1Br ZINC001571121038 952513816 /nfs/dbraw/zinc/51/38/16/952513816.db2.gz VMGPMVUEGFFBJR-AWEZNQCLSA-N -1 1 376.218 1.739 20 0 GDADMM C[C@](O)(CNc1ccc(-c2nn[n-]n2)nn1)c1ccccc1Br ZINC001571121038 952513819 /nfs/dbraw/zinc/51/38/19/952513819.db2.gz VMGPMVUEGFFBJR-AWEZNQCLSA-N -1 1 376.218 1.739 20 0 GDADMM Cc1ncsc1C(=O)N[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571122752 952526104 /nfs/dbraw/zinc/52/61/04/952526104.db2.gz JWDCCTZQEZVDDM-SECBINFHSA-N -1 1 376.471 1.405 20 0 GDADMM O=C(c1ccnnc1)N1CC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571128409 952566078 /nfs/dbraw/zinc/56/60/78/952566078.db2.gz SXVXCAPTNWQNMU-QMMMGPOBSA-N -1 1 377.821 1.093 20 0 GDADMM O=C(c1ccnnc1)N1CC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571128409 952566080 /nfs/dbraw/zinc/56/60/80/952566080.db2.gz SXVXCAPTNWQNMU-QMMMGPOBSA-N -1 1 377.821 1.093 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001575215523 952569552 /nfs/dbraw/zinc/56/95/52/952569552.db2.gz VIPIPHIDAAAPOG-JTQLQIEISA-N -1 1 380.403 1.645 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001575215523 952569557 /nfs/dbraw/zinc/56/95/57/952569557.db2.gz VIPIPHIDAAAPOG-JTQLQIEISA-N -1 1 380.403 1.645 20 0 GDADMM Cc1nsc(N[C@@H]2CN(C(=O)[C@@H]3CCCOC3)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571128773 952571206 /nfs/dbraw/zinc/57/12/06/952571206.db2.gz XLUKJEOTYKSZOT-YUSALJHKSA-N -1 1 377.474 1.317 20 0 GDADMM O=C(c1ccc(C2CC2)cn1)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571128999 952572216 /nfs/dbraw/zinc/57/22/16/952572216.db2.gz YTRCIFDXTLQXSP-ZDUSSCGKSA-N -1 1 377.412 1.256 20 0 GDADMM O=C(c1ccc(C2CC2)cn1)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571128999 952572218 /nfs/dbraw/zinc/57/22/18/952572218.db2.gz YTRCIFDXTLQXSP-ZDUSSCGKSA-N -1 1 377.412 1.256 20 0 GDADMM O=C(CC1CC(F)(F)C1)NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571130177 952578363 /nfs/dbraw/zinc/57/83/63/952578363.db2.gz PEFUDYAKDDXEOY-UHFFFAOYSA-N -1 1 378.387 1.399 20 0 GDADMM O=C(CC1CC(F)(F)C1)NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571130177 952578366 /nfs/dbraw/zinc/57/83/66/952578366.db2.gz PEFUDYAKDDXEOY-UHFFFAOYSA-N -1 1 378.387 1.399 20 0 GDADMM O=C(C[C@@H]1CCCC1(F)F)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571130044 952578924 /nfs/dbraw/zinc/57/89/24/952578924.db2.gz NSZQUGQUTVDTCD-WDEREUQCSA-N -1 1 378.387 1.495 20 0 GDADMM O=C(C[C@@H]1CCCC1(F)F)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571130044 952578927 /nfs/dbraw/zinc/57/89/27/952578927.db2.gz NSZQUGQUTVDTCD-WDEREUQCSA-N -1 1 378.387 1.495 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCC[C@H]2CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571130516 952580692 /nfs/dbraw/zinc/58/06/92/952580692.db2.gz SCZHEYZPHWOJCJ-JTQLQIEISA-N -1 1 378.387 1.495 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCC[C@H]2CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571130516 952580695 /nfs/dbraw/zinc/58/06/95/952580695.db2.gz SCZHEYZPHWOJCJ-JTQLQIEISA-N -1 1 378.387 1.495 20 0 GDADMM CN(C(=O)CC1CC(F)(F)C1)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571130669 952580764 /nfs/dbraw/zinc/58/07/64/952580764.db2.gz UEERQXJDCVHZLN-LLVKDONJSA-N -1 1 378.387 1.129 20 0 GDADMM CN(C(=O)CC1CC(F)(F)C1)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571130669 952580769 /nfs/dbraw/zinc/58/07/69/952580769.db2.gz UEERQXJDCVHZLN-LLVKDONJSA-N -1 1 378.387 1.129 20 0 GDADMM C[C@@H]1CN(C(=O)Cc2ccccc2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571134575 952593269 /nfs/dbraw/zinc/59/32/69/952593269.db2.gz HGCPHJXSYFSMTJ-HIFRSBDPSA-N -1 1 378.440 1.406 20 0 GDADMM C[C@@H]1CN(C(=O)Cc2ccccc2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571134575 952593271 /nfs/dbraw/zinc/59/32/71/952593271.db2.gz HGCPHJXSYFSMTJ-HIFRSBDPSA-N -1 1 378.440 1.406 20 0 GDADMM Cc1cccc(C(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C[C@H]2C)c1C ZINC001571134842 952595937 /nfs/dbraw/zinc/59/59/37/952595937.db2.gz OHNYAOBBKSFHQW-TZMCWYRMSA-N -1 1 378.440 1.989 20 0 GDADMM Cc1cccc(C(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C[C@H]2C)c1C ZINC001571134842 952595940 /nfs/dbraw/zinc/59/59/40/952595940.db2.gz OHNYAOBBKSFHQW-TZMCWYRMSA-N -1 1 378.440 1.989 20 0 GDADMM Cc1cccc(C(=O)N2CCC(CNc3cnc(-c4nnn[n-]4)cn3)CC2)c1 ZINC001571134929 952597198 /nfs/dbraw/zinc/59/71/98/952597198.db2.gz OWXUFMHSZJIAMQ-UHFFFAOYSA-N -1 1 378.440 1.929 20 0 GDADMM Cc1cccc(C(=O)N2CCC(CNc3cnc(-c4nn[n-]n4)cn3)CC2)c1 ZINC001571134929 952597204 /nfs/dbraw/zinc/59/72/04/952597204.db2.gz OWXUFMHSZJIAMQ-UHFFFAOYSA-N -1 1 378.440 1.929 20 0 GDADMM Cc1ccccc1C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571134923 952597275 /nfs/dbraw/zinc/59/72/75/952597275.db2.gz OUUXURZIPKYPCA-AWEZNQCLSA-N -1 1 378.440 1.754 20 0 GDADMM Cc1ccccc1C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571134923 952597276 /nfs/dbraw/zinc/59/72/76/952597276.db2.gz OUUXURZIPKYPCA-AWEZNQCLSA-N -1 1 378.440 1.754 20 0 GDADMM CCc1ccc(C(=O)N2CCC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)cc1 ZINC001571135198 952600480 /nfs/dbraw/zinc/60/04/80/952600480.db2.gz QXEVWEUUWKFOQV-OAHLLOKOSA-N -1 1 378.440 1.936 20 0 GDADMM CCc1ccc(C(=O)N2CCC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)cc1 ZINC001571135198 952600487 /nfs/dbraw/zinc/60/04/87/952600487.db2.gz QXEVWEUUWKFOQV-OAHLLOKOSA-N -1 1 378.440 1.936 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](NC(=O)Cc3ccccc3C)C2)n1 ZINC001571135330 952602163 /nfs/dbraw/zinc/60/21/63/952602163.db2.gz UFIGMDADJSONBX-OAHLLOKOSA-N -1 1 378.440 1.211 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)Cc3ccccc3C)C2)n1 ZINC001571135330 952602165 /nfs/dbraw/zinc/60/21/65/952602165.db2.gz UFIGMDADJSONBX-OAHLLOKOSA-N -1 1 378.440 1.211 20 0 GDADMM Cc1ccccc1C(=O)N[C@@H]1CC[C@@H](C)N(c2nccnc2-c2nnn[n-]2)C1 ZINC001571135442 952603361 /nfs/dbraw/zinc/60/33/61/952603361.db2.gz XRVLOPFROWWLRH-ZIAGYGMSSA-N -1 1 378.440 1.752 20 0 GDADMM Cc1ccccc1C(=O)N[C@@H]1CC[C@@H](C)N(c2nccnc2-c2nn[n-]n2)C1 ZINC001571135442 952603364 /nfs/dbraw/zinc/60/33/64/952603364.db2.gz XRVLOPFROWWLRH-ZIAGYGMSSA-N -1 1 378.440 1.752 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H]([C@@H](C)Nc3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001571135419 952603463 /nfs/dbraw/zinc/60/34/63/952603463.db2.gz XLYZLNINGLPLRJ-UKRRQHHQSA-N -1 1 378.440 1.928 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H]([C@@H](C)Nc3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001571135419 952603465 /nfs/dbraw/zinc/60/34/65/952603465.db2.gz XLYZLNINGLPLRJ-UKRRQHHQSA-N -1 1 378.440 1.928 20 0 GDADMM Cc1ccc(C(=O)N2CCC(CNc3ccnc(-c4nn[n-]n4)n3)CC2)cc1 ZINC001571135481 952604442 /nfs/dbraw/zinc/60/44/42/952604442.db2.gz YORNDLZUSUNIOL-UHFFFAOYSA-N -1 1 378.440 1.351 20 0 GDADMM Cc1ccc(CC(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)cc1C ZINC001571135517 952604980 /nfs/dbraw/zinc/60/49/80/952604980.db2.gz ZTLMXGGQSMRKBK-SHTZXODSSA-N -1 1 378.440 1.575 20 0 GDADMM Cc1ccc(CC(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)cc1C ZINC001571135517 952604981 /nfs/dbraw/zinc/60/49/81/952604981.db2.gz ZTLMXGGQSMRKBK-SHTZXODSSA-N -1 1 378.440 1.575 20 0 GDADMM Cc1cccc([C@@H](C)C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571135521 952605073 /nfs/dbraw/zinc/60/50/73/952605073.db2.gz ZVJLZKDFTILXLO-HIFRSBDPSA-N -1 1 378.440 1.464 20 0 GDADMM Cc1cccc([C@@H](C)C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571135521 952605075 /nfs/dbraw/zinc/60/50/75/952605075.db2.gz ZVJLZKDFTILXLO-HIFRSBDPSA-N -1 1 378.440 1.464 20 0 GDADMM Cc1cc(C)cc(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)[C@H]2C)c1 ZINC001571135542 952605551 /nfs/dbraw/zinc/60/55/51/952605551.db2.gz WHBRYZVHTXDQLM-HIFRSBDPSA-N -1 1 378.440 1.989 20 0 GDADMM Cc1cc(C)cc(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)[C@H]2C)c1 ZINC001571135542 952605554 /nfs/dbraw/zinc/60/55/54/952605554.db2.gz WHBRYZVHTXDQLM-HIFRSBDPSA-N -1 1 378.440 1.989 20 0 GDADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001571135566 952606116 /nfs/dbraw/zinc/60/61/16/952606116.db2.gz XAGGLSRHWKCBLP-UKRRQHHQSA-N -1 1 378.440 1.431 20 0 GDADMM COC(=O)c1cccc(CC(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)c1 ZINC001571140555 952626672 /nfs/dbraw/zinc/62/66/72/952626672.db2.gz CUKXKBUYEZJYMM-UHFFFAOYSA-N -1 1 378.801 1.944 20 0 GDADMM COC(=O)c1ccc(Nc2ccc(N3CCCC3=O)cc2)c(-c2nnn[n-]2)n1 ZINC001571141659 952635171 /nfs/dbraw/zinc/63/51/71/952635171.db2.gz YGWKUDXKANXAKW-UHFFFAOYSA-N -1 1 379.380 1.919 20 0 GDADMM COC(=O)c1ccc(Nc2ccc(N3CCCC3=O)cc2)c(-c2nn[n-]n2)n1 ZINC001571141659 952635174 /nfs/dbraw/zinc/63/51/74/952635174.db2.gz YGWKUDXKANXAKW-UHFFFAOYSA-N -1 1 379.380 1.919 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CC[C@H]2[C@H](CCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001571146959 952655089 /nfs/dbraw/zinc/65/50/89/952655089.db2.gz DSTFPGJNCSWEQK-OCCSQVGLSA-N -1 1 379.428 1.034 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CC[C@H]2[C@H](CCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001571146959 952655090 /nfs/dbraw/zinc/65/50/90/952655090.db2.gz DSTFPGJNCSWEQK-OCCSQVGLSA-N -1 1 379.428 1.034 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC2(C)CCN(C(=O)c3ccccn3)CC2)n1 ZINC001571146969 952655376 /nfs/dbraw/zinc/65/53/76/952655376.db2.gz FBLOILHSKWBXLF-UHFFFAOYSA-N -1 1 379.428 1.467 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC2(C)CCN(C(=O)c3ccccn3)CC2)n1 ZINC001571146969 952655378 /nfs/dbraw/zinc/65/53/78/952655378.db2.gz FBLOILHSKWBXLF-UHFFFAOYSA-N -1 1 379.428 1.467 20 0 GDADMM CC(C)c1cccc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001571147211 952658263 /nfs/dbraw/zinc/65/82/63/952658263.db2.gz JAJPYAVTSMZFBY-GFCCVEGCSA-N -1 1 379.428 1.502 20 0 GDADMM CC(C)c1cccc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001571147211 952658269 /nfs/dbraw/zinc/65/82/69/952658269.db2.gz JAJPYAVTSMZFBY-GFCCVEGCSA-N -1 1 379.428 1.502 20 0 GDADMM CC[C@H]1CN(C(=O)c2cccnc2)CC[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571147393 952661123 /nfs/dbraw/zinc/66/11/23/952661123.db2.gz LZJOJOYWAUASKX-GXTWGEPZSA-N -1 1 379.428 1.405 20 0 GDADMM CC[C@H]1CN(C(=O)c2cccnc2)CC[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571147393 952661128 /nfs/dbraw/zinc/66/11/28/952661128.db2.gz LZJOJOYWAUASKX-GXTWGEPZSA-N -1 1 379.428 1.405 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)c3ccccn3)[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571147579 952662882 /nfs/dbraw/zinc/66/28/82/952662882.db2.gz OIZOLPNHQIZYTI-VXGBXAGGSA-N -1 1 379.428 1.329 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)c3ccccn3)[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571147579 952662887 /nfs/dbraw/zinc/66/28/87/952662887.db2.gz OIZOLPNHQIZYTI-VXGBXAGGSA-N -1 1 379.428 1.329 20 0 GDADMM CCc1ccnc(C(=O)N[C@@]2(C)CCN(c3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571148436 952667846 /nfs/dbraw/zinc/66/78/46/952667846.db2.gz ZNDXDFZDHAOKSZ-SFHVURJKSA-N -1 1 379.428 1.013 20 0 GDADMM CCc1ccnc(C(=O)N[C@@]2(C)CCN(c3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571148436 952667847 /nfs/dbraw/zinc/66/78/47/952667847.db2.gz ZNDXDFZDHAOKSZ-SFHVURJKSA-N -1 1 379.428 1.013 20 0 GDADMM COc1ncc(NC(=O)N[C@@H]2CCC[C@H]([S@@](C)=O)C2)cc1-c1nn[n-]n1 ZINC001571151581 952675529 /nfs/dbraw/zinc/67/55/29/952675529.db2.gz RCBPSDYYZJJTQJ-KRZNKNMYSA-N -1 1 379.446 1.082 20 0 GDADMM O=C(c1ccncc1)N1CCC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571151688 952678067 /nfs/dbraw/zinc/67/80/67/952678067.db2.gz UPXHZTIQKBRWGN-ZDUSSCGKSA-N -1 1 379.428 1.406 20 0 GDADMM O=C(c1ccncc1)N1CCC[C@@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571151688 952678071 /nfs/dbraw/zinc/67/80/71/952678071.db2.gz UPXHZTIQKBRWGN-ZDUSSCGKSA-N -1 1 379.428 1.406 20 0 GDADMM O=C(C1CC1)N1CCC[C@@H]2[C@H]1CCN2c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001571152047 952680913 /nfs/dbraw/zinc/68/09/13/952680913.db2.gz BSFLTAQEVXQDGV-NXEZZACHSA-N -1 1 379.877 1.956 20 0 GDADMM CC[C@H](OC)C(=O)N1CCC[C@H](N(C)c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571152626 952683365 /nfs/dbraw/zinc/68/33/65/952683365.db2.gz IDMOYVMJQFRSEL-RYUDHWBXSA-N -1 1 379.490 1.484 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)[C@@H]1Cc2ccc(F)cc21 ZINC001571154986 952690537 /nfs/dbraw/zinc/69/05/37/952690537.db2.gz DBYADPFWKBSUDQ-YRGRVCCFSA-N -1 1 380.387 1.195 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)[C@@H]1Cc2ccc(F)cc21 ZINC001571154986 952690540 /nfs/dbraw/zinc/69/05/40/952690540.db2.gz DBYADPFWKBSUDQ-YRGRVCCFSA-N -1 1 380.387 1.195 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C(C)(F)F)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571155332 952695745 /nfs/dbraw/zinc/69/57/45/952695745.db2.gz OGTWENVIYGEBCK-MWLCHTKSSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C(C)(F)F)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571155332 952695747 /nfs/dbraw/zinc/69/57/47/952695747.db2.gz OGTWENVIYGEBCK-MWLCHTKSSA-N -1 1 380.403 1.597 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CN(C(=O)CC(C)(F)F)C[C@@H]2C)n1 ZINC001571155681 952698856 /nfs/dbraw/zinc/69/88/56/952698856.db2.gz XIGAYVVDJCINKS-ONGXEEELSA-N -1 1 380.403 1.517 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CN(C(=O)CC(C)(F)F)C[C@@H]2C)n1 ZINC001571155681 952698858 /nfs/dbraw/zinc/69/88/58/952698858.db2.gz XIGAYVVDJCINKS-ONGXEEELSA-N -1 1 380.403 1.517 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CC[C@H]2[C@H](CCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001571156625 952701928 /nfs/dbraw/zinc/70/19/28/952701928.db2.gz FLFNSLGARZQIMG-OLZOCXBDSA-N -1 1 379.428 1.034 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CC[C@H]2[C@H](CCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001571156625 952701932 /nfs/dbraw/zinc/70/19/32/952701932.db2.gz FLFNSLGARZQIMG-OLZOCXBDSA-N -1 1 379.428 1.034 20 0 GDADMM Cc1cccc(C(=O)N2CCC(C)(Nc3cncc(-c4nnn[n-]4)n3)CC2)n1 ZINC001571156597 952702052 /nfs/dbraw/zinc/70/20/52/952702052.db2.gz DQJMRMSKPLBXPB-UHFFFAOYSA-N -1 1 379.428 1.467 20 0 GDADMM Cc1cccc(C(=O)N2CCC(C)(Nc3cncc(-c4nn[n-]n4)n3)CC2)n1 ZINC001571156597 952702055 /nfs/dbraw/zinc/70/20/55/952702055.db2.gz DQJMRMSKPLBXPB-UHFFFAOYSA-N -1 1 379.428 1.467 20 0 GDADMM Cc1cccnc1C(=O)N1CCC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571156671 952703427 /nfs/dbraw/zinc/70/34/27/952703427.db2.gz GRXOWWPSDYSJCD-CYBMUJFWSA-N -1 1 379.428 1.101 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)N(c3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001571156759 952704659 /nfs/dbraw/zinc/70/46/59/952704659.db2.gz IWCMRETUHOLKQN-OCCSQVGLSA-N -1 1 379.428 1.147 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)N(c3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001571156759 952704663 /nfs/dbraw/zinc/70/46/63/952704663.db2.gz IWCMRETUHOLKQN-OCCSQVGLSA-N -1 1 379.428 1.147 20 0 GDADMM Cc1cccc(C(=O)NC2CCC(Nc3ccc(-c4nnn[n-]4)nn3)CC2)n1 ZINC001571156821 952705550 /nfs/dbraw/zinc/70/55/50/952705550.db2.gz KQGZHUDVUFCMHU-UHFFFAOYSA-N -1 1 379.428 1.513 20 0 GDADMM Cc1cccc(C(=O)NC2CCC(Nc3ccc(-c4nn[n-]n4)nn3)CC2)n1 ZINC001571156821 952705553 /nfs/dbraw/zinc/70/55/53/952705553.db2.gz KQGZHUDVUFCMHU-UHFFFAOYSA-N -1 1 379.428 1.513 20 0 GDADMM Cc1cncc(C(=O)N2CCC[C@H]2CN(C)c2ccnc(-c3nn[n-]n3)n2)c1 ZINC001571156851 952705661 /nfs/dbraw/zinc/70/56/61/952705661.db2.gz LIKSAFYBXFYGHA-AWEZNQCLSA-N -1 1 379.428 1.101 20 0 GDADMM COc1ccc(C(=O)NC[C@H]2CCCN2c2nccnc2-c2nnn[n-]2)cc1 ZINC001571157850 952708049 /nfs/dbraw/zinc/70/80/49/952708049.db2.gz AGDNHZZQKIUKPJ-CYBMUJFWSA-N -1 1 380.412 1.064 20 0 GDADMM COc1ccc(C(=O)NC[C@H]2CCCN2c2nccnc2-c2nn[n-]n2)cc1 ZINC001571157850 952708053 /nfs/dbraw/zinc/70/80/53/952708053.db2.gz AGDNHZZQKIUKPJ-CYBMUJFWSA-N -1 1 380.412 1.064 20 0 GDADMM Cc1cncc(C(=O)N[C@@H]2CC[C@@H](C)N(c3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571158863 952714413 /nfs/dbraw/zinc/71/44/13/952714413.db2.gz SQBOGPJIJAIBBD-TZMCWYRMSA-N -1 1 379.428 1.147 20 0 GDADMM Cc1cncc(C(=O)N[C@@H]2CC[C@@H](C)N(c3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571158863 952714417 /nfs/dbraw/zinc/71/44/17/952714417.db2.gz SQBOGPJIJAIBBD-TZMCWYRMSA-N -1 1 379.428 1.147 20 0 GDADMM Cc1cncc(C(=O)N[C@@H]2CC[C@H](C)N(c3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571158860 952714544 /nfs/dbraw/zinc/71/45/44/952714544.db2.gz SQBOGPJIJAIBBD-GXTWGEPZSA-N -1 1 379.428 1.147 20 0 GDADMM Cc1cncc(C(=O)N[C@@H]2CC[C@H](C)N(c3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571158860 952714547 /nfs/dbraw/zinc/71/45/47/952714547.db2.gz SQBOGPJIJAIBBD-GXTWGEPZSA-N -1 1 379.428 1.147 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)cc(C)n1 ZINC001571159734 952722230 /nfs/dbraw/zinc/72/22/30/952722230.db2.gz WCUNGJXLNOFPBS-ZDUSSCGKSA-N -1 1 379.428 1.243 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)cc(C)n1 ZINC001571159734 952722234 /nfs/dbraw/zinc/72/22/34/952722234.db2.gz WCUNGJXLNOFPBS-ZDUSSCGKSA-N -1 1 379.428 1.243 20 0 GDADMM Cc1cccc(C(=O)N[C@H]2CC[C@@H](C)N(c3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571160342 952725254 /nfs/dbraw/zinc/72/52/54/952725254.db2.gz ZEORTZJSKNGCNT-OLZOCXBDSA-N -1 1 379.428 1.147 20 0 GDADMM Cc1cccc(C(=O)N[C@H]2CC[C@@H](C)N(c3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571160342 952725259 /nfs/dbraw/zinc/72/52/59/952725259.db2.gz ZEORTZJSKNGCNT-OLZOCXBDSA-N -1 1 379.428 1.147 20 0 GDADMM Cc1ccoc1C(=O)N1C[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001571161067 952730517 /nfs/dbraw/zinc/73/05/17/952730517.db2.gz PXOQJKNYFMSBHY-OLZOCXBDSA-N -1 1 380.412 1.157 20 0 GDADMM Cc1ccoc1C(=O)N1C[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001571161067 952730520 /nfs/dbraw/zinc/73/05/20/952730520.db2.gz PXOQJKNYFMSBHY-OLZOCXBDSA-N -1 1 380.412 1.157 20 0 GDADMM O=C(Cc1ccco1)N1CCC[C@H]2[C@H]1CCN2c1nccnc1-c1nnn[n-]1 ZINC001571161600 952734531 /nfs/dbraw/zinc/73/45/31/952734531.db2.gz YBIKMNLSPBIAQN-UONOGXRCSA-N -1 1 380.412 1.062 20 0 GDADMM O=C(Cc1ccco1)N1CCC[C@H]2[C@H]1CCN2c1nccnc1-c1nn[n-]n1 ZINC001571161600 952734535 /nfs/dbraw/zinc/73/45/35/952734535.db2.gz YBIKMNLSPBIAQN-UONOGXRCSA-N -1 1 380.412 1.062 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H]3[C@H]2CCCN3C(=O)[C@@H]2CC23CC3)n1 ZINC001571169848 952779716 /nfs/dbraw/zinc/77/97/16/952779716.db2.gz PDUKDMASVBXQSZ-NWANDNLSSA-N -1 1 380.456 1.335 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H]3[C@H]2CCCN3C(=O)[C@@H]2CC23CC3)n1 ZINC001571169848 952779729 /nfs/dbraw/zinc/77/97/29/952779729.db2.gz PDUKDMASVBXQSZ-NWANDNLSSA-N -1 1 380.456 1.335 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H]3[C@@H]2CCCN3C(=O)[C@@H]2CC23CC3)n1 ZINC001571169846 952779832 /nfs/dbraw/zinc/77/98/32/952779832.db2.gz PDUKDMASVBXQSZ-AEGPPILISA-N -1 1 380.456 1.335 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H]3[C@@H]2CCCN3C(=O)[C@@H]2CC23CC3)n1 ZINC001571169846 952779837 /nfs/dbraw/zinc/77/98/37/952779837.db2.gz PDUKDMASVBXQSZ-AEGPPILISA-N -1 1 380.456 1.335 20 0 GDADMM Cc1nsc(N[C@@H]2CCN(C(=O)c3cc(Cl)no3)C2)c1-c1nn[n-]n1 ZINC001571171923 952799486 /nfs/dbraw/zinc/79/94/86/952799486.db2.gz IMTBEIAEZJMYGW-SSDOTTSWSA-N -1 1 380.821 1.600 20 0 GDADMM O=C(Cc1ccon1)N1CC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571172136 952802372 /nfs/dbraw/zinc/80/23/72/952802372.db2.gz NMOYOQJLWRHUKC-QMMMGPOBSA-N -1 1 380.821 1.220 20 0 GDADMM O=C(Cc1ccon1)N1CC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571172136 952802378 /nfs/dbraw/zinc/80/23/78/952802378.db2.gz NMOYOQJLWRHUKC-QMMMGPOBSA-N -1 1 380.821 1.220 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1cc(C2CC2)no1 ZINC001571175722 952825550 /nfs/dbraw/zinc/82/55/50/952825550.db2.gz GHGZJJBQIKMROR-HOMQSWHASA-N -1 1 381.400 1.143 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1cc(C2CC2)no1 ZINC001571175722 952825558 /nfs/dbraw/zinc/82/55/58/952825558.db2.gz GHGZJJBQIKMROR-HOMQSWHASA-N -1 1 381.400 1.143 20 0 GDADMM O=C(c1coc(C2CCC2)n1)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571178748 952846388 /nfs/dbraw/zinc/84/63/88/952846388.db2.gz SKSGITQXDCCPLG-LLVKDONJSA-N -1 1 381.400 1.239 20 0 GDADMM O=C(c1coc(C2CCC2)n1)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571178748 952846394 /nfs/dbraw/zinc/84/63/94/952846394.db2.gz SKSGITQXDCCPLG-LLVKDONJSA-N -1 1 381.400 1.239 20 0 GDADMM CC(C)c1[nH]ccc1C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001571181434 952864015 /nfs/dbraw/zinc/86/40/15/952864015.db2.gz XAPMRUYLGRFMSI-DGCLKSJQSA-N -1 1 381.444 1.363 20 0 GDADMM CC(C)c1[nH]ccc1C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001571181434 952864018 /nfs/dbraw/zinc/86/40/18/952864018.db2.gz XAPMRUYLGRFMSI-DGCLKSJQSA-N -1 1 381.444 1.363 20 0 GDADMM CCc1[nH]ccc1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001571184086 952887839 /nfs/dbraw/zinc/88/78/39/952887839.db2.gz PYJVGGCKASVKBV-RISCZKNCSA-N -1 1 381.444 1.335 20 0 GDADMM CCc1[nH]ccc1C(=O)N[C@H]1C[C@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571184158 952888512 /nfs/dbraw/zinc/88/85/12/952888512.db2.gz RYICZKIJYBYMJW-HAQNSBGRSA-N -1 1 381.444 1.476 20 0 GDADMM CCc1[nH]ccc1C(=O)N[C@H]1C[C@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571184158 952888515 /nfs/dbraw/zinc/88/85/15/952888515.db2.gz RYICZKIJYBYMJW-HAQNSBGRSA-N -1 1 381.444 1.476 20 0 GDADMM CCc1nc(NCC[C@@H]2CCN(C(=O)c3cc[nH]c3)C2)cc(-c2nnn[n-]2)n1 ZINC001571184232 952889393 /nfs/dbraw/zinc/88/93/93/952889393.db2.gz UJVFWYVSTJNDJU-GFCCVEGCSA-N -1 1 381.444 1.512 20 0 GDADMM CCc1nc(NCC[C@@H]2CCN(C(=O)c3cc[nH]c3)C2)cc(-c2nn[n-]n2)n1 ZINC001571184232 952889396 /nfs/dbraw/zinc/88/93/96/952889396.db2.gz UJVFWYVSTJNDJU-GFCCVEGCSA-N -1 1 381.444 1.512 20 0 GDADMM CCc1[nH]ccc1C(=O)N[C@H]1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571184330 952892024 /nfs/dbraw/zinc/89/20/24/952892024.db2.gz WGCYFJMZIQNLMQ-HAQNSBGRSA-N -1 1 381.444 1.122 20 0 GDADMM CCn1cccc1C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C[C@@H]1C ZINC001571184640 952895828 /nfs/dbraw/zinc/89/58/28/952895828.db2.gz CCAZWIDMMGDPQU-QWHCGFSZSA-N -1 1 381.444 1.583 20 0 GDADMM CCn1cccc1C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C[C@@H]1C ZINC001571184640 952895834 /nfs/dbraw/zinc/89/58/34/952895834.db2.gz CCAZWIDMMGDPQU-QWHCGFSZSA-N -1 1 381.444 1.583 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)c3cccn3C)[C@@H](C)C2)n1 ZINC001571184664 952896430 /nfs/dbraw/zinc/89/64/30/952896430.db2.gz CPGCIXFKGKBGMR-QWHCGFSZSA-N -1 1 381.444 1.409 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)c3cccn3C)[C@@H](C)C2)n1 ZINC001571184664 952896435 /nfs/dbraw/zinc/89/64/35/952896435.db2.gz CPGCIXFKGKBGMR-QWHCGFSZSA-N -1 1 381.444 1.409 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC([C@H](C)NC(=O)c3ccc[nH]3)CC2)n1 ZINC001571185171 952901269 /nfs/dbraw/zinc/90/12/69/952901269.db2.gz JBFYEMCRRSGMHJ-LBPRGKRZSA-N -1 1 381.444 1.328 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC([C@H](C)NC(=O)c3ccc[nH]3)CC2)n1 ZINC001571185171 952901271 /nfs/dbraw/zinc/90/12/71/952901271.db2.gz JBFYEMCRRSGMHJ-LBPRGKRZSA-N -1 1 381.444 1.328 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCN(C(=O)[C@@H](C)n3cccc3)C2)n1 ZINC001571186283 952906720 /nfs/dbraw/zinc/90/67/20/952906720.db2.gz VKPOXNHBMBJJNO-ZIAGYGMSSA-N -1 1 381.444 1.431 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCN(C(=O)[C@@H](C)n3cccc3)C2)n1 ZINC001571186283 952906722 /nfs/dbraw/zinc/90/67/22/952906722.db2.gz VKPOXNHBMBJJNO-ZIAGYGMSSA-N -1 1 381.444 1.431 20 0 GDADMM CCn1ccc(C(=O)N2CC[C@H](N(C)c3cncc(-c4nnn[n-]4)n3)C2)c1C ZINC001571186299 952907240 /nfs/dbraw/zinc/90/72/40/952907240.db2.gz VZFWZCOMYHDLGW-ZDUSSCGKSA-N -1 1 381.444 1.137 20 0 GDADMM CCn1ccc(C(=O)N2CC[C@H](N(C)c3cncc(-c4nn[n-]n4)n3)C2)c1C ZINC001571186299 952907244 /nfs/dbraw/zinc/90/72/44/952907244.db2.gz VZFWZCOMYHDLGW-ZDUSSCGKSA-N -1 1 381.444 1.137 20 0 GDADMM Cc1cc(C)c(C(=O)N2CCC[C@@H](N(C)c3ccnc(-c4nn[n-]n4)n3)C2)[nH]1 ZINC001571188906 952921368 /nfs/dbraw/zinc/92/13/68/952921368.db2.gz PEVMJCKRWPMCHL-CYBMUJFWSA-N -1 1 381.444 1.343 20 0 GDADMM CCc1ccc(F)cc1C(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571195982 952978506 /nfs/dbraw/zinc/97/85/06/952978506.db2.gz GKFBAXBZRSYAMJ-UHFFFAOYSA-N -1 1 382.403 1.321 20 0 GDADMM CCc1ccc(F)cc1C(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571195982 952978516 /nfs/dbraw/zinc/97/85/16/952978516.db2.gz GKFBAXBZRSYAMJ-UHFFFAOYSA-N -1 1 382.403 1.321 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)cc(C)c1F ZINC001571196051 952980642 /nfs/dbraw/zinc/98/06/42/952980642.db2.gz HAHFCUCBFOOJNX-CYBMUJFWSA-N -1 1 382.403 1.421 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)cc(C)c1F ZINC001571196051 952980647 /nfs/dbraw/zinc/98/06/47/952980647.db2.gz HAHFCUCBFOOJNX-CYBMUJFWSA-N -1 1 382.403 1.421 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)ccc1F ZINC001571196709 952982733 /nfs/dbraw/zinc/98/27/33/952982733.db2.gz MRJJOTKCZHBEHP-LBPRGKRZSA-N -1 1 382.403 1.678 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)ccc1F ZINC001571196709 952982740 /nfs/dbraw/zinc/98/27/40/952982740.db2.gz MRJJOTKCZHBEHP-LBPRGKRZSA-N -1 1 382.403 1.678 20 0 GDADMM Cc1ccc(C(=O)NC2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)cc1F ZINC001571196905 952984600 /nfs/dbraw/zinc/98/46/00/952984600.db2.gz PJSMURCMXPVBJN-UHFFFAOYSA-N -1 1 382.403 1.503 20 0 GDADMM Cc1ccc(C(=O)NC2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)cc1F ZINC001571196905 952984604 /nfs/dbraw/zinc/98/46/04/952984604.db2.gz PJSMURCMXPVBJN-UHFFFAOYSA-N -1 1 382.403 1.503 20 0 GDADMM Cc1cc(F)cc(C(=O)N2C[C@H](C)[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571196915 952984890 /nfs/dbraw/zinc/98/48/90/952984890.db2.gz PVJDWXBOZHAIIZ-XHDPSFHLSA-N -1 1 382.403 1.677 20 0 GDADMM Cc1cc(F)cc(C(=O)N2C[C@H](C)[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571196915 952984896 /nfs/dbraw/zinc/98/48/96/952984896.db2.gz PVJDWXBOZHAIIZ-XHDPSFHLSA-N -1 1 382.403 1.677 20 0 GDADMM CCc1nc(N[C@H]2C[C@H](CNC(=O)c3cocc3C)C2)cc(-c2nnn[n-]2)n1 ZINC001571199202 952997826 /nfs/dbraw/zinc/99/78/26/952997826.db2.gz NBTDZHOOXMULRU-HAQNSBGRSA-N -1 1 382.428 1.741 20 0 GDADMM CCc1nc(N[C@H]2C[C@H](CNC(=O)c3cocc3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571199202 952997829 /nfs/dbraw/zinc/99/78/29/952997829.db2.gz NBTDZHOOXMULRU-HAQNSBGRSA-N -1 1 382.428 1.741 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H](NC(=O)Cc3ccco3)C2)n1 ZINC001571199509 953000248 /nfs/dbraw/zinc/00/02/48/953000248.db2.gz TWLGXXHBBPCNND-GFCCVEGCSA-N -1 1 382.428 1.140 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H](NC(=O)Cc3ccco3)C2)n1 ZINC001571199509 953000252 /nfs/dbraw/zinc/00/02/52/953000252.db2.gz TWLGXXHBBPCNND-GFCCVEGCSA-N -1 1 382.428 1.140 20 0 GDADMM CCc1occc1C(=O)N1CC[C@@H](Nc2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001571199628 953002804 /nfs/dbraw/zinc/00/28/04/953002804.db2.gz WYHPFQQMJQCPLK-LLVKDONJSA-N -1 1 382.428 1.701 20 0 GDADMM CCc1occc1C(=O)N1CC[C@@H](Nc2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001571199628 953002807 /nfs/dbraw/zinc/00/28/07/953002807.db2.gz WYHPFQQMJQCPLK-LLVKDONJSA-N -1 1 382.428 1.701 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)CCc2ccoc2)C1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571199666 953003410 /nfs/dbraw/zinc/00/34/10/953003410.db2.gz YDVXNGSFNSPRKT-AWEZNQCLSA-N -1 1 382.428 1.167 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)CCc2ccoc2)C1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571199666 953003412 /nfs/dbraw/zinc/00/34/12/953003412.db2.gz YDVXNGSFNSPRKT-AWEZNQCLSA-N -1 1 382.428 1.167 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571200008 953006731 /nfs/dbraw/zinc/00/67/31/953006731.db2.gz HFVVIWKVYMACEW-OLZOCXBDSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571200008 953006737 /nfs/dbraw/zinc/00/67/37/953006737.db2.gz HFVVIWKVYMACEW-OLZOCXBDSA-N -1 1 382.428 1.531 20 0 GDADMM Cc1cocc1C(=O)N[C@@H](C)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571200766 953011545 /nfs/dbraw/zinc/01/15/45/953011545.db2.gz FWGZPVWZJLASGX-STQMWFEESA-N -1 1 382.428 1.593 20 0 GDADMM Cc1cocc1C(=O)N[C@@H](C)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571200766 953011553 /nfs/dbraw/zinc/01/15/53/953011553.db2.gz FWGZPVWZJLASGX-STQMWFEESA-N -1 1 382.428 1.593 20 0 GDADMM Cc1ccc(C(=O)N2C[C@@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C(C)(C)C2)o1 ZINC001571201303 953016448 /nfs/dbraw/zinc/01/64/48/953016448.db2.gz JUUDYSDTTKMHMP-CQSZACIVSA-N -1 1 382.428 1.829 20 0 GDADMM Cc1ccc(C(=O)N2C[C@@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C(C)(C)C2)o1 ZINC001571201303 953016451 /nfs/dbraw/zinc/01/64/51/953016451.db2.gz JUUDYSDTTKMHMP-CQSZACIVSA-N -1 1 382.428 1.829 20 0 GDADMM O=C(N[C@@H]1CCCC[C@H]1Nc1cncc(-c2nnn[n-]2)n1)c1cccc(F)c1 ZINC001571201524 953018405 /nfs/dbraw/zinc/01/84/05/953018405.db2.gz RAKVOANFTIGTHO-ZIAGYGMSSA-N -1 1 382.403 1.949 20 0 GDADMM O=C(N[C@@H]1CCCC[C@H]1Nc1cncc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001571201524 953018408 /nfs/dbraw/zinc/01/84/08/953018408.db2.gz RAKVOANFTIGTHO-ZIAGYGMSSA-N -1 1 382.403 1.949 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)CC2)c(C)o1 ZINC001571201775 953019313 /nfs/dbraw/zinc/01/93/13/953019313.db2.gz OBALKEXSJGNRID-ZDUSSCGKSA-N -1 1 382.428 1.655 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)Cc3ccoc3)C[C@@H]2C)n1 ZINC001571202044 953022036 /nfs/dbraw/zinc/02/20/36/953022036.db2.gz QHFRGHXKIBJTOU-FZMZJTMJSA-N -1 1 382.428 1.450 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)Cc3ccoc3)C[C@@H]2C)n1 ZINC001571202044 953022039 /nfs/dbraw/zinc/02/20/39/953022039.db2.gz QHFRGHXKIBJTOU-FZMZJTMJSA-N -1 1 382.428 1.450 20 0 GDADMM CC(C)n1cc(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@@H]2C)cn1 ZINC001571205166 953035569 /nfs/dbraw/zinc/03/55/69/953035569.db2.gz GUUZCDAWZDZVHQ-WCQYABFASA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1cc(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@@H]2C)cn1 ZINC001571205166 953035573 /nfs/dbraw/zinc/03/55/73/953035573.db2.gz GUUZCDAWZDZVHQ-WCQYABFASA-N -1 1 382.432 1.149 20 0 GDADMM CCCc1cc(C(=O)N(C)C2CC(Nc3cncc(-c4nn[n-]n4)n3)C2)[nH]n1 ZINC001571205508 953038806 /nfs/dbraw/zinc/03/88/06/953038806.db2.gz KSHXLHQVJPDMNJ-UHFFFAOYSA-N -1 1 382.432 1.047 20 0 GDADMM CC(C)n1ccc(C(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)[C@@H]2C)n1 ZINC001571205896 953044045 /nfs/dbraw/zinc/04/40/45/953044045.db2.gz NUTYKVOKHPAREH-NWDGAFQWSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1ccc(C(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)[C@@H]2C)n1 ZINC001571205896 953044048 /nfs/dbraw/zinc/04/40/48/953044048.db2.gz NUTYKVOKHPAREH-NWDGAFQWSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1cc(C(=O)N2CCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)cn1 ZINC001571206343 953050291 /nfs/dbraw/zinc/05/02/91/953050291.db2.gz OPVRKVIVZCOHKV-CYBMUJFWSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1cc(C(=O)N2CCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)cn1 ZINC001571206343 953050294 /nfs/dbraw/zinc/05/02/94/953050294.db2.gz OPVRKVIVZCOHKV-CYBMUJFWSA-N -1 1 382.432 1.151 20 0 GDADMM CC[C@@H](C)n1nccc1C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571206799 953056300 /nfs/dbraw/zinc/05/63/00/953056300.db2.gz XJTLVPGIGJFUKU-UTUOFQBUSA-N -1 1 382.432 1.197 20 0 GDADMM CC[C@@H](C)n1nccc1C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571206799 953056305 /nfs/dbraw/zinc/05/63/05/953056305.db2.gz XJTLVPGIGJFUKU-UTUOFQBUSA-N -1 1 382.432 1.197 20 0 GDADMM Cc1[nH]nc(C(=O)N[C@H]2CCC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c1C ZINC001571207275 953061699 /nfs/dbraw/zinc/06/16/99/953061699.db2.gz PLFNJRQUTXROTJ-NEPJUHHUSA-N -1 1 382.432 1.150 20 0 GDADMM Cc1[nH]nc(C(=O)N[C@@H]2CCC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c1C ZINC001571207278 953061932 /nfs/dbraw/zinc/06/19/32/953061932.db2.gz PLFNJRQUTXROTJ-VXGBXAGGSA-N -1 1 382.432 1.150 20 0 GDADMM C[C@@H]1CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)CC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571211522 953077223 /nfs/dbraw/zinc/07/72/23/953077223.db2.gz AKNJXRXBFMNJFN-ZSAUSMIDSA-N -1 1 382.472 1.599 20 0 GDADMM C[C@@H]1CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)CC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571211522 953077226 /nfs/dbraw/zinc/07/72/26/953077226.db2.gz AKNJXRXBFMNJFN-ZSAUSMIDSA-N -1 1 382.472 1.599 20 0 GDADMM CC1(NC(=O)[C@@H]2CC23CCCC3)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571211594 953078561 /nfs/dbraw/zinc/07/85/61/953078561.db2.gz COBAZBMQZZROHZ-ZDUSSCGKSA-N -1 1 382.472 1.712 20 0 GDADMM CC1(NC(=O)[C@@H]2CC23CCCC3)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571211594 953078564 /nfs/dbraw/zinc/07/85/64/953078564.db2.gz COBAZBMQZZROHZ-ZDUSSCGKSA-N -1 1 382.472 1.712 20 0 GDADMM CCC[C@@H]1C[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571211771 953080706 /nfs/dbraw/zinc/08/07/06/953080706.db2.gz FYFSOJAMFOHHNV-VAQLIOGMSA-N -1 1 382.472 1.709 20 0 GDADMM CCC[C@@H]1C[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571211771 953080709 /nfs/dbraw/zinc/08/07/09/953080709.db2.gz FYFSOJAMFOHHNV-VAQLIOGMSA-N -1 1 382.472 1.709 20 0 GDADMM C[C@H](C(=O)N[C@@]12CCC[C@@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2)C1CCC1 ZINC001571212068 953083758 /nfs/dbraw/zinc/08/37/58/953083758.db2.gz IEUURQVTXTZUMF-VRHCTWJESA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H](C(=O)N[C@@]12CCC[C@@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2)C1CCC1 ZINC001571212068 953083763 /nfs/dbraw/zinc/08/37/63/953083763.db2.gz IEUURQVTXTZUMF-VRHCTWJESA-N -1 1 382.472 1.711 20 0 GDADMM CN(C[C@@H]1CCCN1C(=O)[C@@H]1CCCC12CC2)c1cncc(-c2nnn[n-]2)n1 ZINC001571212243 953085946 /nfs/dbraw/zinc/08/59/46/953085946.db2.gz JYWHJTIEAHKDRE-KBPBESRZSA-N -1 1 382.472 1.664 20 0 GDADMM CN(C[C@@H]1CCCN1C(=O)[C@@H]1CCCC12CC2)c1cncc(-c2nn[n-]n2)n1 ZINC001571212243 953085950 /nfs/dbraw/zinc/08/59/50/953085950.db2.gz JYWHJTIEAHKDRE-KBPBESRZSA-N -1 1 382.472 1.664 20 0 GDADMM CN(c1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001571212269 953086324 /nfs/dbraw/zinc/08/63/24/953086324.db2.gz KIHNJUZKCLXMOC-NYTXWWLZSA-N -1 1 382.472 1.520 20 0 GDADMM C[C@@H]1C[C@@H]1C(=O)N1CCC(N(CC2CC2)c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571212437 953087776 /nfs/dbraw/zinc/08/77/76/953087776.db2.gz LQJADAOOMCYZRJ-DOMZBBRYSA-N -1 1 382.472 1.520 20 0 GDADMM C[C@@H]1C[C@@H]1C(=O)N1CCC(N(CC2CC2)c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571212437 953087780 /nfs/dbraw/zinc/08/77/80/953087780.db2.gz LQJADAOOMCYZRJ-DOMZBBRYSA-N -1 1 382.472 1.520 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H]3[C@H](CCCN3C(=O)C3CC3)C2)n1 ZINC001571212525 953089510 /nfs/dbraw/zinc/08/95/10/953089510.db2.gz MWIPCLHNBLFJPE-UKRRQHHQSA-N -1 1 382.472 1.446 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H]3[C@H](CCCN3C(=O)C3CC3)C2)n1 ZINC001571212525 953089515 /nfs/dbraw/zinc/08/95/15/953089515.db2.gz MWIPCLHNBLFJPE-UKRRQHHQSA-N -1 1 382.472 1.446 20 0 GDADMM CN(C[C@H]1CCCN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1)c1cncc(-c2nnn[n-]2)n1 ZINC001571213309 953093974 /nfs/dbraw/zinc/09/39/74/953093974.db2.gz RCNXMYUYPXDMOM-WVZRYYJFSA-N -1 1 382.472 1.378 20 0 GDADMM CN(C[C@H]1CCCN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1)c1cncc(-c2nn[n-]n2)n1 ZINC001571213309 953093976 /nfs/dbraw/zinc/09/39/76/953093976.db2.gz RCNXMYUYPXDMOM-WVZRYYJFSA-N -1 1 382.472 1.378 20 0 GDADMM CC1(C)C[C@H]1C(=O)N1CC[C@@]2(C1)CCCN(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001571213278 953094469 /nfs/dbraw/zinc/09/44/69/953094469.db2.gz QYWHGELMWIILOS-DJJJIMSYSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)C[C@H]1C(=O)N1CC[C@@]2(C1)CCCN(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001571213278 953094475 /nfs/dbraw/zinc/09/44/75/953094475.db2.gz QYWHGELMWIILOS-DJJJIMSYSA-N -1 1 382.472 1.522 20 0 GDADMM CC[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001571213537 953096833 /nfs/dbraw/zinc/09/68/33/953096833.db2.gz RPPTXTPMYAGHPT-MAKQCAJESA-N -1 1 382.472 1.424 20 0 GDADMM CC[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571213537 953096839 /nfs/dbraw/zinc/09/68/39/953096839.db2.gz RPPTXTPMYAGHPT-MAKQCAJESA-N -1 1 382.472 1.424 20 0 GDADMM Cc1nn(C(C)C)cc1C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571213828 953097179 /nfs/dbraw/zinc/09/71/79/953097179.db2.gz XKQPEHJDURPMCM-HAQNSBGRSA-N -1 1 382.432 1.115 20 0 GDADMM Cc1nn(C(C)C)cc1C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571213828 953097184 /nfs/dbraw/zinc/09/71/84/953097184.db2.gz XKQPEHJDURPMCM-HAQNSBGRSA-N -1 1 382.432 1.115 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)n1 ZINC001571214013 953098247 /nfs/dbraw/zinc/09/82/47/953098247.db2.gz VAMLQRBUUCZMLI-VHDGCEQUSA-N -1 1 382.472 1.296 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)n1 ZINC001571214013 953098250 /nfs/dbraw/zinc/09/82/50/953098250.db2.gz VAMLQRBUUCZMLI-VHDGCEQUSA-N -1 1 382.472 1.296 20 0 GDADMM CC[C@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]32)CC1 ZINC001571214444 953101742 /nfs/dbraw/zinc/10/17/42/953101742.db2.gz YSFVPLLACWVLKB-HJULLARGSA-N -1 1 382.472 1.424 20 0 GDADMM CC[C@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]32)CC1 ZINC001571214444 953101744 /nfs/dbraw/zinc/10/17/44/953101744.db2.gz YSFVPLLACWVLKB-HJULLARGSA-N -1 1 382.472 1.424 20 0 GDADMM O=C(CC(C1CC1)C1CC1)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571216738 953103615 /nfs/dbraw/zinc/10/36/15/953103615.db2.gz ADUXRMTXDXRPRW-UHFFFAOYSA-N -1 1 382.472 1.522 20 0 GDADMM O=C(CC(C1CC1)C1CC1)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571216738 953103617 /nfs/dbraw/zinc/10/36/17/953103617.db2.gz ADUXRMTXDXRPRW-UHFFFAOYSA-N -1 1 382.472 1.522 20 0 GDADMM O=C(NC[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)[C@H]1CCCC12CC2 ZINC001571217351 953107228 /nfs/dbraw/zinc/10/72/28/953107228.db2.gz FWGDDBVZBNNNQT-ZIAGYGMSSA-N -1 1 382.472 1.570 20 0 GDADMM O=C(NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)[C@@H]1C[C@@H]1C1CCCC1 ZINC001571218403 953115117 /nfs/dbraw/zinc/11/51/17/953115117.db2.gz MUCBUNMLZOYALD-HUUCEWRRSA-N -1 1 382.472 1.568 20 0 GDADMM O=C(NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)[C@@H]1C[C@@H]1C1CCCC1 ZINC001571218403 953115123 /nfs/dbraw/zinc/11/51/23/953115123.db2.gz MUCBUNMLZOYALD-HUUCEWRRSA-N -1 1 382.472 1.568 20 0 GDADMM O=C(NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001571218447 953115330 /nfs/dbraw/zinc/11/53/30/953115330.db2.gz OAHZSXIHJDTAEX-RBSFLKMASA-N -1 1 382.472 1.426 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C(C1CC1)C1CC1 ZINC001571219061 953122352 /nfs/dbraw/zinc/12/23/52/953122352.db2.gz UDWYLDHTKQBSJT-AWEZNQCLSA-N -1 1 382.472 1.568 20 0 GDADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)C1CCCCC1 ZINC001571219082 953122604 /nfs/dbraw/zinc/12/26/04/953122604.db2.gz UVEDZIBBZFABCL-GOOCMWNKSA-N -1 1 382.472 1.853 20 0 GDADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)C1CCCCC1 ZINC001571219082 953122607 /nfs/dbraw/zinc/12/26/07/953122607.db2.gz UVEDZIBBZFABCL-GOOCMWNKSA-N -1 1 382.472 1.853 20 0 GDADMM CCc1nc(N[C@H](C)[C@@H]2CCN(C(=O)c3ccon3)C2)cc(-c2nnn[n-]2)n1 ZINC001571222630 953136477 /nfs/dbraw/zinc/13/64/77/953136477.db2.gz IDRTUWVTOYPAOY-GHMZBOCLSA-N -1 1 383.416 1.170 20 0 GDADMM CCc1nc(N[C@H](C)[C@@H]2CCN(C(=O)c3ccon3)C2)cc(-c2nn[n-]n2)n1 ZINC001571222630 953136480 /nfs/dbraw/zinc/13/64/80/953136480.db2.gz IDRTUWVTOYPAOY-GHMZBOCLSA-N -1 1 383.416 1.170 20 0 GDADMM CC(C)(C)c1cc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)no1 ZINC001571224122 953149344 /nfs/dbraw/zinc/14/93/44/953149344.db2.gz YPJIGTRWCNNSAU-SNVBAGLBSA-N -1 1 383.416 1.269 20 0 GDADMM CC(C)(C)c1cc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)no1 ZINC001571224122 953149346 /nfs/dbraw/zinc/14/93/46/953149346.db2.gz YPJIGTRWCNNSAU-SNVBAGLBSA-N -1 1 383.416 1.269 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CC[C@H](C)N(c3nc(C)cc(-c4nnn[n-]4)n3)C2)on1 ZINC001571225633 953153723 /nfs/dbraw/zinc/15/37/23/953153723.db2.gz LWELKMLTQQWQEG-NWDGAFQWSA-N -1 1 383.416 1.049 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CC[C@H](C)N(c3nc(C)cc(-c4nn[n-]n4)n3)C2)on1 ZINC001571225633 953153726 /nfs/dbraw/zinc/15/37/26/953153726.db2.gz LWELKMLTQQWQEG-NWDGAFQWSA-N -1 1 383.416 1.049 20 0 GDADMM Cc1nc(C)c(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)[C@H](C)C2)o1 ZINC001571226388 953155397 /nfs/dbraw/zinc/15/53/97/953155397.db2.gz PRKIKDCPSFFPPD-BXKDBHETSA-N -1 1 383.416 1.049 20 0 GDADMM Cc1nc(C)c(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)[C@H](C)C2)o1 ZINC001571226388 953155398 /nfs/dbraw/zinc/15/53/98/953155398.db2.gz PRKIKDCPSFFPPD-BXKDBHETSA-N -1 1 383.416 1.049 20 0 GDADMM Cc1nc(C)c(C(=O)NC2CCC(Nc3cnc(-c4nnn[n-]4)cn3)CC2)o1 ZINC001571226489 953156070 /nfs/dbraw/zinc/15/60/70/953156070.db2.gz SDGRNLNCLKKYGB-UHFFFAOYSA-N -1 1 383.416 1.415 20 0 GDADMM Cc1nc(C)c(C(=O)NC2CCC(Nc3cnc(-c4nn[n-]n4)cn3)CC2)o1 ZINC001571226489 953156073 /nfs/dbraw/zinc/15/60/73/953156073.db2.gz SDGRNLNCLKKYGB-UHFFFAOYSA-N -1 1 383.416 1.415 20 0 GDADMM O=C(N[C@]12CCC[C@@H]1N(c1nccnc1-c1nnn[n-]1)CC2)c1ccsn1 ZINC001571230555 953178195 /nfs/dbraw/zinc/17/81/95/953178195.db2.gz GFFKXHUHRJPZDG-ZBEGNZNMSA-N -1 1 383.441 1.045 20 0 GDADMM O=C(N[C@]12CCC[C@@H]1N(c1nccnc1-c1nn[n-]n1)CC2)c1ccsn1 ZINC001571230555 953178197 /nfs/dbraw/zinc/17/81/97/953178197.db2.gz GFFKXHUHRJPZDG-ZBEGNZNMSA-N -1 1 383.441 1.045 20 0 GDADMM O=C(N[C@@]12CCC[C@@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2)c1cncs1 ZINC001571231143 953183646 /nfs/dbraw/zinc/18/36/46/953183646.db2.gz UBCIMCDVFMMYFP-BLLLJJGKSA-N -1 1 383.441 1.045 20 0 GDADMM O=C(N[C@@]12CCC[C@@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2)c1cncs1 ZINC001571231143 953183649 /nfs/dbraw/zinc/18/36/49/953183649.db2.gz UBCIMCDVFMMYFP-BLLLJJGKSA-N -1 1 383.441 1.045 20 0 GDADMM CCCC(=O)N1C[C@@H](CNc2nccnc2-c2nnn[n-]2)[C@H](C(F)(F)F)C1 ZINC001571234896 953207132 /nfs/dbraw/zinc/20/71/32/953207132.db2.gz MBSTZOOMQYYVHR-NXEZZACHSA-N -1 1 384.366 1.506 20 0 GDADMM CCCC(=O)N1C[C@@H](CNc2nccnc2-c2nn[n-]n2)[C@H](C(F)(F)F)C1 ZINC001571234896 953207136 /nfs/dbraw/zinc/20/71/36/953207136.db2.gz MBSTZOOMQYYVHR-NXEZZACHSA-N -1 1 384.366 1.506 20 0 GDADMM Cc1ccc(C(=O)N2C[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)[C@H](C)C2)s1 ZINC001571244841 953267576 /nfs/dbraw/zinc/26/75/76/953267576.db2.gz KCDPQCOPPRSTJT-ZYHUDNBSSA-N -1 1 384.469 1.847 20 0 GDADMM Cc1ccc(C(=O)N2C[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)[C@H](C)C2)s1 ZINC001571244841 953267577 /nfs/dbraw/zinc/26/75/77/953267577.db2.gz KCDPQCOPPRSTJT-ZYHUDNBSSA-N -1 1 384.469 1.847 20 0 GDADMM C[C@H]1CN(C(=O)Cc2cccs2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571244909 953268538 /nfs/dbraw/zinc/26/85/38/953268538.db2.gz LWQSEDWAPWQWAI-NWDGAFQWSA-N -1 1 384.469 1.467 20 0 GDADMM C[C@H]1CN(C(=O)Cc2cccs2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571244909 953268541 /nfs/dbraw/zinc/26/85/41/953268541.db2.gz LWQSEDWAPWQWAI-NWDGAFQWSA-N -1 1 384.469 1.467 20 0 GDADMM Cc1cc(C(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H](C)C2)sc1C ZINC001571245252 953271863 /nfs/dbraw/zinc/27/18/63/953271863.db2.gz QOLLSBUVRMCHNQ-GWCFXTLKSA-N -1 1 384.469 1.908 20 0 GDADMM Cc1cc(C(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H](C)C2)sc1C ZINC001571245252 953271866 /nfs/dbraw/zinc/27/18/66/953271866.db2.gz QOLLSBUVRMCHNQ-GWCFXTLKSA-N -1 1 384.469 1.908 20 0 GDADMM Cc1ccsc1C(=O)N1CC[C@@H](CN(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571245583 953274523 /nfs/dbraw/zinc/27/45/23/953274523.db2.gz VZRZFWKSUJFMDS-LBPRGKRZSA-N -1 1 384.469 1.625 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@H](N(C)c3cncc(-c4nnn[n-]4)n3)C2)s1 ZINC001571245602 953275039 /nfs/dbraw/zinc/27/50/39/953275039.db2.gz WKRALUNMLUHPIB-LBPRGKRZSA-N -1 1 384.469 1.306 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@H](N(C)c3cncc(-c4nn[n-]n4)n3)C2)s1 ZINC001571245602 953275040 /nfs/dbraw/zinc/27/50/40/953275040.db2.gz WKRALUNMLUHPIB-LBPRGKRZSA-N -1 1 384.469 1.306 20 0 GDADMM CCCc1ccc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)s1 ZINC001571245629 953275428 /nfs/dbraw/zinc/27/54/28/953275428.db2.gz XMSZIYKLXJBOCH-LLVKDONJSA-N -1 1 384.469 1.997 20 0 GDADMM CCCc1ccc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)s1 ZINC001571245629 953275430 /nfs/dbraw/zinc/27/54/30/953275430.db2.gz XMSZIYKLXJBOCH-LLVKDONJSA-N -1 1 384.469 1.997 20 0 GDADMM C[C@H]1CCN(C(=O)C2CC(C)(C)C2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571249175 953301714 /nfs/dbraw/zinc/30/17/14/953301714.db2.gz FJYVKLLXYRZYNR-GXTWGEPZSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H]1CCN(C(=O)C2CC(C)(C)C2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571249175 953301717 /nfs/dbraw/zinc/30/17/17/953301717.db2.gz FJYVKLLXYRZYNR-GXTWGEPZSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)[C@@]1(C)C[C@H]1C(=O)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571250825 953313429 /nfs/dbraw/zinc/31/34/29/953313429.db2.gz TTXQWMUSTDLLRJ-IFXJQAMLSA-N -1 1 384.488 1.411 20 0 GDADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)CC2CC(C)(C)C2)C1 ZINC001571251137 953314923 /nfs/dbraw/zinc/31/49/23/953314923.db2.gz WEVVPAIKCFJBIM-TZMCWYRMSA-N -1 1 384.488 1.554 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](NC(=O)C3(C)CCC3)C[C@H]2C)n1 ZINC001571251851 953320165 /nfs/dbraw/zinc/32/01/65/953320165.db2.gz BFLGXDKQMWEIPL-CHWSQXEVSA-N -1 1 384.488 1.883 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](NC(=O)C3(C)CCC3)C[C@H]2C)n1 ZINC001571251851 953320170 /nfs/dbraw/zinc/32/01/70/953320170.db2.gz BFLGXDKQMWEIPL-CHWSQXEVSA-N -1 1 384.488 1.883 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H]3[C@H]2CCCN3C(=O)CC(C)(C)C)n1 ZINC001571251862 953320843 /nfs/dbraw/zinc/32/08/43/953320843.db2.gz BQASVWZXTQSHRP-CABCVRRESA-N -1 1 384.488 1.971 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H]3[C@H]2CCCN3C(=O)CC(C)(C)C)n1 ZINC001571251862 953320848 /nfs/dbraw/zinc/32/08/48/953320848.db2.gz BQASVWZXTQSHRP-CABCVRRESA-N -1 1 384.488 1.971 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](N(CC)C(=O)[C@@H]3CC3(C)C)C2)n1 ZINC001571252505 953329913 /nfs/dbraw/zinc/32/99/13/953329913.db2.gz OACISCJIJJOTPJ-OLZOCXBDSA-N -1 1 384.488 1.692 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](N(CC)C(=O)[C@@H]3CC3(C)C)C2)n1 ZINC001571252505 953329915 /nfs/dbraw/zinc/32/99/15/953329915.db2.gz OACISCJIJJOTPJ-OLZOCXBDSA-N -1 1 384.488 1.692 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](CNC(=O)C3CCCCCC3)C2)n1 ZINC001571252932 953333660 /nfs/dbraw/zinc/33/36/60/953333660.db2.gz ZJTQNUUECPUHDO-CQSZACIVSA-N -1 1 384.488 1.878 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](CNC(=O)C3CCCCCC3)C2)n1 ZINC001571252932 953333664 /nfs/dbraw/zinc/33/36/64/953333664.db2.gz ZJTQNUUECPUHDO-CQSZACIVSA-N -1 1 384.488 1.878 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@]3(CCN(C(=O)CC(C)C)C3)C2)n1 ZINC001571252872 953334080 /nfs/dbraw/zinc/33/40/80/953334080.db2.gz XPJXGJOQPWESQJ-LJQANCHMSA-N -1 1 384.488 1.830 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@]3(CCN(C(=O)CC(C)C)C3)C2)n1 ZINC001571252872 953334086 /nfs/dbraw/zinc/33/40/86/953334086.db2.gz XPJXGJOQPWESQJ-LJQANCHMSA-N -1 1 384.488 1.830 20 0 GDADMM O=C(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)s1)c1cccc(F)c1F ZINC001571255140 953345942 /nfs/dbraw/zinc/34/59/42/953345942.db2.gz JCUZACCURVENFN-UHFFFAOYSA-N -1 1 385.377 1.368 20 0 GDADMM O=C(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)s1)c1cccc(F)c1F ZINC001571255140 953345945 /nfs/dbraw/zinc/34/59/45/953345945.db2.gz JCUZACCURVENFN-UHFFFAOYSA-N -1 1 385.377 1.368 20 0 GDADMM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1NC(=O)c1ccccc1Cl ZINC001571255895 953357427 /nfs/dbraw/zinc/35/74/27/953357427.db2.gz REUDBAUYISROMW-QMTHXVAHSA-N -1 1 384.831 1.565 20 0 GDADMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1NC(=O)c1ccccc1Cl ZINC001571255895 953357432 /nfs/dbraw/zinc/35/74/32/953357432.db2.gz REUDBAUYISROMW-QMTHXVAHSA-N -1 1 384.831 1.565 20 0 GDADMM O=C(CNS(=O)(=O)c1ccsc1-c1nn[n-]n1)c1c(F)cccc1F ZINC001571256358 953369824 /nfs/dbraw/zinc/36/98/24/953369824.db2.gz VWFXREFOXFANPE-UHFFFAOYSA-N -1 1 385.377 1.368 20 0 GDADMM O=C([O-])CC[C@@H]1CCCCN1CC(=O)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000424252397 953437122 /nfs/dbraw/zinc/43/71/22/953437122.db2.gz DINIJSVYMRFZPK-ZDUSSCGKSA-N -1 1 383.395 1.739 20 0 GDADMM CN(C)S(=O)(=O)c1cccc(NC(=O)CN2CCCC[C@@H]2CC(=O)[O-])c1 ZINC000650503941 954017747 /nfs/dbraw/zinc/01/77/47/954017747.db2.gz HEQCYFBKBFMNIW-CQSZACIVSA-N -1 1 383.470 1.205 20 0 GDADMM CNS(=O)(=O)c1cc(NC(=O)CN2CCCC[C@@H]2CC(=O)[O-])ccc1C ZINC000650504248 954021479 /nfs/dbraw/zinc/02/14/79/954021479.db2.gz FASOAYZWVAAVFC-CQSZACIVSA-N -1 1 383.470 1.171 20 0 GDADMM 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/nfs/dbraw/zinc/12/12/84/532121284.db2.gz PCWPWONGGPGYKG-MFKMUULPSA-N -1 1 382.454 1.269 20 0 GDADMM CS(=O)(=O)CCCCNC(=O)c1ccc(I)c([O-])c1 ZINC000424916473 532112176 /nfs/dbraw/zinc/11/21/76/532112176.db2.gz KIMZJYBVGKNLFI-UHFFFAOYSA-N -1 1 397.234 1.551 20 0 GDADMM COC(=O)[C@@H]([N-]S(=O)(=O)CCS(C)(=O)=O)c1ccc2ccccc2c1 ZINC000272784386 532113726 /nfs/dbraw/zinc/11/37/26/532113726.db2.gz AZRPZTCXYGNFFN-HNNXBMFYSA-N -1 1 385.463 1.018 20 0 GDADMM COC(=O)c1cnc([C@H](C)[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)s1 ZINC000425209499 532128426 /nfs/dbraw/zinc/12/84/26/532128426.db2.gz UKPHXSXOEPTCCN-LURJTMIESA-N -1 1 398.388 1.722 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc(F)ccc1I)c1nn[n-]n1 ZINC000273499903 532153122 /nfs/dbraw/zinc/15/31/22/532153122.db2.gz LYPQQTOQVWQWGH-SSDOTTSWSA-N -1 1 389.172 1.819 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)c1nn[n-]n1 ZINC000273536738 532154979 /nfs/dbraw/zinc/15/49/79/532154979.db2.gz SIDBYPQUWMZZRQ-PELKAZGASA-N -1 1 380.861 1.918 20 0 GDADMM C[C@H](CNS(=O)(=O)c1cc(C(=O)[O-])ccc1Br)N(C)C1CC1 ZINC000273778024 532170527 /nfs/dbraw/zinc/17/05/27/532170527.db2.gz YLKYNSFOXLOGSP-SECBINFHSA-N -1 1 391.287 1.908 20 0 GDADMM C[C@@H](CNS(=O)(=O)c1sc(C(=O)[O-])cc1Br)N(C)C1CC1 ZINC000273786063 532170585 /nfs/dbraw/zinc/17/05/85/532170585.db2.gz ZTKVOKYIMRCDDV-ZETCQYMHSA-N -1 1 397.316 1.970 20 0 GDADMM Cc1c(Br)cc(S(=O)(=O)N[C@H](C)c2nnc[nH]2)cc1C(=O)[O-] ZINC000273686109 532165087 /nfs/dbraw/zinc/16/50/87/532165087.db2.gz HZBRIBAUJHXTOU-SSDOTTSWSA-N -1 1 389.231 1.613 20 0 GDADMM O=C(Cn1cc(Br)ccc1=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000332359307 532182180 /nfs/dbraw/zinc/18/21/80/532182180.db2.gz CLJXDBBGQUDUKF-SECBINFHSA-N -1 1 383.202 1.106 20 0 GDADMM CCOc1ccc(C[N-]S(=O)(=O)c2scnc2C(=O)OC)cc1OC ZINC000274214743 532194827 /nfs/dbraw/zinc/19/48/27/532194827.db2.gz WDDKGPZLBMETRR-UHFFFAOYSA-N -1 1 386.451 1.816 20 0 GDADMM CCCS(=O)(=O)Cc1nc(=O)c2c(C)c(C(=O)OCCOC)sc2[n-]1 ZINC000274501156 532214520 /nfs/dbraw/zinc/21/45/20/532214520.db2.gz KPXDKKVMGOZGNH-UHFFFAOYSA-N -1 1 388.467 1.833 20 0 GDADMM COC(=O)[C@@H](CF)[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000287425263 532215374 /nfs/dbraw/zinc/21/53/74/532215374.db2.gz MLHYUECVWCNLRU-MRVPVSSYSA-N -1 1 388.186 1.386 20 0 GDADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1sccc1OC)c1ccc2c(c1)CCO2 ZINC000274518741 532215576 /nfs/dbraw/zinc/21/55/76/532215576.db2.gz WVNALIOGOZCJCK-AWEZNQCLSA-N -1 1 383.447 1.884 20 0 GDADMM O=C([O-])CN1CCCN(S(=O)(=O)c2ccccc2OC(F)(F)F)CC1 ZINC000376509745 532217306 /nfs/dbraw/zinc/21/73/06/532217306.db2.gz QOJVUHNQNJYOSP-UHFFFAOYSA-N -1 1 382.360 1.366 20 0 GDADMM Cc1cc(N2CCC[C@H]([N-]S(=O)(=O)c3nc(C)c(C)s3)C2=O)n(C)n1 ZINC000333319257 532229659 /nfs/dbraw/zinc/22/96/59/532229659.db2.gz WQPZPCUKEBQGMS-LBPRGKRZSA-N -1 1 383.499 1.276 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCC[C@H]2CCO)c(Br)o1 ZINC000275030496 532255502 /nfs/dbraw/zinc/25/55/02/532255502.db2.gz AGMBEAQYYKKMND-IUCAKERBSA-N -1 1 396.259 1.658 20 0 GDADMM O=C([O-])[C@H](CN1CCCCC1)NS(=O)(=O)c1ccc(Cl)nc1Cl ZINC000275038273 532256349 /nfs/dbraw/zinc/25/63/49/532256349.db2.gz UZXWZCKRHWAELZ-VIFPVBQESA-N -1 1 382.269 1.606 20 0 GDADMM COC(=O)c1ncsc1S(=O)(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000275125706 532267596 /nfs/dbraw/zinc/26/75/96/532267596.db2.gz USHTWAXEFJNRMN-UHFFFAOYSA-N -1 1 376.456 1.633 20 0 GDADMM Cc1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@](C)(F)C2)nc1 ZINC000349455425 532288902 /nfs/dbraw/zinc/28/89/02/532288902.db2.gz CPHQZQIZRHZWKL-AWEZNQCLSA-N -1 1 379.479 1.286 20 0 GDADMM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)s1 ZINC000275790857 532310276 /nfs/dbraw/zinc/31/02/76/532310276.db2.gz ODMZEGJTTVRPOD-SECBINFHSA-N -1 1 390.512 1.136 20 0 GDADMM COC(=O)[C@H]([N-]S(=O)(=O)[C@@H]1CCO[C@@H]1C)c1ccc(Br)cc1 ZINC000275974669 532316730 /nfs/dbraw/zinc/31/67/30/532316730.db2.gz DCHYZLOQWBHKOM-OASPWFOLSA-N -1 1 392.271 1.760 20 0 GDADMM CCOCc1nc([C@@H](C)[N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)no1 ZINC000289643341 532330072 /nfs/dbraw/zinc/33/00/72/532330072.db2.gz SPYYVPXCUMBKSN-SNVBAGLBSA-N -1 1 389.455 1.049 20 0 GDADMM Cc1onc(N)c1S(=O)(=O)[N-]C[C@@H](O)c1cccc(Br)c1 ZINC000289680049 532330775 /nfs/dbraw/zinc/33/07/75/532330775.db2.gz CNFOPAFZIDGIIS-SNVBAGLBSA-N -1 1 376.232 1.340 20 0 GDADMM CN1C[C@@H](NC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCC1=O ZINC000290011664 532335326 /nfs/dbraw/zinc/33/53/26/532335326.db2.gz JFSDZKRMMSCFFO-VIFPVBQESA-N -1 1 394.280 1.009 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H](Oc2ccccc2)C1 ZINC000738355714 598836739 /nfs/dbraw/zinc/83/67/39/598836739.db2.gz QFXFCWYANZCWMP-CQSZACIVSA-N -1 1 386.437 1.494 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H](Oc2ccccc2)C1 ZINC000738355714 598836741 /nfs/dbraw/zinc/83/67/41/598836741.db2.gz QFXFCWYANZCWMP-CQSZACIVSA-N -1 1 386.437 1.494 20 0 GDADMM O=C(C[C@H]1CCOC1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000737821884 598845827 /nfs/dbraw/zinc/84/58/27/598845827.db2.gz NIIMPJSUSSUHAU-GFCCVEGCSA-N -1 1 399.411 1.190 20 0 GDADMM CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000736593880 598872414 /nfs/dbraw/zinc/87/24/14/598872414.db2.gz MBILZDPYNBINPQ-JTQLQIEISA-N -1 1 399.860 1.484 20 0 GDADMM CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000736593880 598872415 /nfs/dbraw/zinc/87/24/15/598872415.db2.gz MBILZDPYNBINPQ-JTQLQIEISA-N -1 1 399.860 1.484 20 0 GDADMM CC[S@@](=O)CCNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000736664887 598910031 /nfs/dbraw/zinc/91/00/31/598910031.db2.gz LXJYXEMBEXIRAD-RUZDIDTESA-N -1 1 380.499 1.359 20 0 GDADMM CC[S@](=O)CCNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000736664889 598909777 /nfs/dbraw/zinc/90/97/77/598909777.db2.gz LXJYXEMBEXIRAD-VWLOTQADSA-N -1 1 380.499 1.359 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCCn1cnnc1C(C)C ZINC000737201107 598923855 /nfs/dbraw/zinc/92/38/55/598923855.db2.gz QPCJQAYPXBKGFV-UHFFFAOYSA-N -1 1 399.459 1.048 20 0 GDADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1cccc(C(=O)N(C)C)c1 ZINC000737300554 598930158 /nfs/dbraw/zinc/93/01/58/598930158.db2.gz AUCZYFKGRRIKEM-UHFFFAOYSA-N -1 1 386.437 1.678 20 0 GDADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc(-c2nn[nH]n2)cc1 ZINC000737301409 598931638 /nfs/dbraw/zinc/93/16/38/598931638.db2.gz MCMUKYDDNQZULI-UHFFFAOYSA-N -1 1 383.397 1.156 20 0 GDADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc(CNC(N)=O)cc1 ZINC000737224920 598948673 /nfs/dbraw/zinc/94/86/73/598948673.db2.gz JETLRXICBBEBEK-UHFFFAOYSA-N -1 1 387.425 1.144 20 0 GDADMM CC(C)(C)CC(=O)N1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000735593568 598957706 /nfs/dbraw/zinc/95/77/06/598957706.db2.gz KCOHFSHKMZYCTJ-UHFFFAOYSA-N -1 1 380.456 1.895 20 0 GDADMM CC(C)(C)CC(=O)N1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000735593568 598957708 /nfs/dbraw/zinc/95/77/08/598957708.db2.gz KCOHFSHKMZYCTJ-UHFFFAOYSA-N -1 1 380.456 1.895 20 0 GDADMM NS(=O)(=O)Cc1cccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000737765039 598965790 /nfs/dbraw/zinc/96/57/90/598965790.db2.gz MCNOOMMFIKCQST-UHFFFAOYSA-N -1 1 396.436 1.211 20 0 GDADMM NS(=O)(=O)Cc1cccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000737765039 598965792 /nfs/dbraw/zinc/96/57/92/598965792.db2.gz MCNOOMMFIKCQST-UHFFFAOYSA-N -1 1 396.436 1.211 20 0 GDADMM Cc1noc([C@@H](C)N2CCN(c3c4ccccc4nnc3-c3nnn[n-]3)CC2)n1 ZINC000737535147 598967416 /nfs/dbraw/zinc/96/74/16/598967416.db2.gz UQDRZJOOKADKFH-LLVKDONJSA-N -1 1 392.427 1.385 20 0 GDADMM Cc1noc([C@@H](C)N2CCN(c3c4ccccc4nnc3-c3nn[n-]n3)CC2)n1 ZINC000737535147 598967417 /nfs/dbraw/zinc/96/74/17/598967417.db2.gz UQDRZJOOKADKFH-LLVKDONJSA-N -1 1 392.427 1.385 20 0 GDADMM Cc1cccc([C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)nc2)N2CCOCC2)c1 ZINC000737388784 598992490 /nfs/dbraw/zinc/99/24/90/598992490.db2.gz LRHPCASLQNCACV-GOSISDBHSA-N -1 1 393.451 1.373 20 0 GDADMM Cc1cccc([C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)nc2)N2CCOCC2)c1 ZINC000737388784 598992492 /nfs/dbraw/zinc/99/24/92/598992492.db2.gz LRHPCASLQNCACV-GOSISDBHSA-N -1 1 393.451 1.373 20 0 GDADMM Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)cc1F ZINC000737308683 598994674 /nfs/dbraw/zinc/99/46/74/598994674.db2.gz MVMTWSVWLRPEHO-UHFFFAOYSA-N -1 1 395.398 1.307 20 0 GDADMM Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)cc1F ZINC000737308683 598994675 /nfs/dbraw/zinc/99/46/75/598994675.db2.gz MVMTWSVWLRPEHO-UHFFFAOYSA-N -1 1 395.398 1.307 20 0 GDADMM O=C(CC1CCCCC1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000737813263 599000466 /nfs/dbraw/zinc/00/04/66/599000466.db2.gz JQJPZROBQDKZJO-UHFFFAOYSA-N -1 1 383.456 1.517 20 0 GDADMM O=C(CC1CCCCC1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000737813263 599000468 /nfs/dbraw/zinc/00/04/68/599000468.db2.gz JQJPZROBQDKZJO-UHFFFAOYSA-N -1 1 383.456 1.517 20 0 GDADMM COc1ccc(-c2nc(COC(=O)c3ccc(-c4nnn[n-]4)nc3)no2)cc1 ZINC000737055556 599004539 /nfs/dbraw/zinc/00/45/39/599004539.db2.gz HBOLNFPXODZDCY-UHFFFAOYSA-N -1 1 379.336 1.677 20 0 GDADMM COc1ccc(-c2nc(COC(=O)c3ccc(-c4nn[n-]n4)nc3)no2)cc1 ZINC000737055556 599004541 /nfs/dbraw/zinc/00/45/41/599004541.db2.gz HBOLNFPXODZDCY-UHFFFAOYSA-N -1 1 379.336 1.677 20 0 GDADMM O=C(OCc1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738234705 599004781 /nfs/dbraw/zinc/00/47/81/599004781.db2.gz LCLSSCDWGZTPIN-INIZCTEOSA-N -1 1 378.392 1.610 20 0 GDADMM O=C(OCc1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738234705 599004783 /nfs/dbraw/zinc/00/47/83/599004783.db2.gz LCLSSCDWGZTPIN-INIZCTEOSA-N -1 1 378.392 1.610 20 0 GDADMM Cc1nn(-c2ccccc2)c(COC(=O)[C@H](O)C2CCOCC2)c1-c1nn[n-]n1 ZINC000737504434 599017364 /nfs/dbraw/zinc/01/73/64/599017364.db2.gz YONGQZMNHWEHNK-QGZVFWFLSA-N -1 1 398.423 1.192 20 0 GDADMM CCOc1cc(-c2nn[nH]n2)ccc1OS(=O)(=O)c1c[n-]c(C(C)C)n1 ZINC000736625992 599030800 /nfs/dbraw/zinc/03/08/00/599030800.db2.gz JOZIRSBAASJONP-UHFFFAOYSA-N -1 1 378.414 1.880 20 0 GDADMM CCc1ccc([C@@H]2C[C@H](C)CCN2c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)o1 ZINC000821480836 599110541 /nfs/dbraw/zinc/11/05/41/599110541.db2.gz FKNBTGZZNSKDGD-YPMHNXCESA-N -1 1 399.455 1.397 20 0 GDADMM COc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1OC ZINC000737066810 599132100 /nfs/dbraw/zinc/13/21/00/599132100.db2.gz WDGVZHXTULIMNO-JTQLQIEISA-N -1 1 383.364 1.707 20 0 GDADMM COc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1OC ZINC000737066810 599132102 /nfs/dbraw/zinc/13/21/02/599132102.db2.gz WDGVZHXTULIMNO-JTQLQIEISA-N -1 1 383.364 1.707 20 0 GDADMM CC(C)[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)NCc1ccccc1F ZINC000735732857 599135991 /nfs/dbraw/zinc/13/59/91/599135991.db2.gz BZWDQPHWSXWPMC-MRXNPFEDSA-N -1 1 398.398 1.899 20 0 GDADMM CC(C)[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)NCc1ccccc1F ZINC000735732857 599135992 /nfs/dbraw/zinc/13/59/92/599135992.db2.gz BZWDQPHWSXWPMC-MRXNPFEDSA-N -1 1 398.398 1.899 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000736159054 599136243 /nfs/dbraw/zinc/13/62/43/599136243.db2.gz TXAPQIUVMVSQQG-JIEKGTPASA-N -1 1 396.451 1.892 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000736159054 599136246 /nfs/dbraw/zinc/13/62/46/599136246.db2.gz TXAPQIUVMVSQQG-JIEKGTPASA-N -1 1 396.451 1.892 20 0 GDADMM CCCOc1ccc(CNC(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736489911 599140826 /nfs/dbraw/zinc/14/08/26/599140826.db2.gz DWBTVCHQDUIAFZ-UHFFFAOYSA-N -1 1 396.407 1.524 20 0 GDADMM CCCOc1ccc(CNC(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736489911 599140829 /nfs/dbraw/zinc/14/08/29/599140829.db2.gz DWBTVCHQDUIAFZ-UHFFFAOYSA-N -1 1 396.407 1.524 20 0 GDADMM Cc1cccc(OCCCNC(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737400946 599141267 /nfs/dbraw/zinc/14/12/67/599141267.db2.gz HQSUTKAMOGPZKB-UHFFFAOYSA-N -1 1 396.407 1.312 20 0 GDADMM Cc1cccc(OCCCNC(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737400946 599141270 /nfs/dbraw/zinc/14/12/70/599141270.db2.gz HQSUTKAMOGPZKB-UHFFFAOYSA-N -1 1 396.407 1.312 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)Nc1ccc(F)cc1Cl ZINC000737909301 599143971 /nfs/dbraw/zinc/14/39/71/599143971.db2.gz RWJKOHHUHMLHTK-UHFFFAOYSA-N -1 1 376.735 1.850 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)Nc1ccc(F)cc1Cl ZINC000737909301 599143973 /nfs/dbraw/zinc/14/39/73/599143973.db2.gz RWJKOHHUHMLHTK-UHFFFAOYSA-N -1 1 376.735 1.850 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@@H](COC(=O)c3ccc(-c4nnn[n-]4)nc3)C2)o1 ZINC000737308318 599154544 /nfs/dbraw/zinc/15/45/44/599154544.db2.gz IVRYEHYDJMJBLS-CYBMUJFWSA-N -1 1 396.407 1.872 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@@H](COC(=O)c3ccc(-c4nn[n-]n4)nc3)C2)o1 ZINC000737308318 599154547 /nfs/dbraw/zinc/15/45/47/599154547.db2.gz IVRYEHYDJMJBLS-CYBMUJFWSA-N -1 1 396.407 1.872 20 0 GDADMM CC(=O)c1ccc(N2CCN(C(=O)CN[C@H](C(=O)[O-])C(C)C)CC2)c(F)c1 ZINC000817723559 597108071 /nfs/dbraw/zinc/10/80/71/597108071.db2.gz VHJTXOOHASDVLC-SFHVURJKSA-N -1 1 379.432 1.376 20 0 GDADMM CSc1ccccc1NC(=O)CN(C)C(=O)CN1CCC[C@@H](CC(=O)[O-])C1 ZINC000820910298 597392419 /nfs/dbraw/zinc/39/24/19/597392419.db2.gz ZIVORFVGNJUFKL-AWEZNQCLSA-N -1 1 393.509 1.992 20 0 GDADMM COc1cccc([C@@H](CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)N2CCCC2)c1 ZINC000738092970 597412970 /nfs/dbraw/zinc/41/29/70/597412970.db2.gz UEEIVNMWRKNYLE-IAGOWNOFSA-N -1 1 377.441 1.327 20 0 GDADMM Cc1ccc(NC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)cn1 ZINC000822242198 607320514 /nfs/dbraw/zinc/32/05/14/607320514.db2.gz DLVJLJCJSAICKS-UHFFFAOYSA-N -1 1 377.412 1.801 20 0 GDADMM Cc1ccc(NC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)cn1 ZINC000822242198 607320515 /nfs/dbraw/zinc/32/05/15/607320515.db2.gz DLVJLJCJSAICKS-UHFFFAOYSA-N -1 1 377.412 1.801 20 0 GDADMM O=C1[C@H](n2cc(-c3nn[n-]n3)c(=O)c3ccccc32)CCN1CC(F)(F)F ZINC000738294251 599291343 /nfs/dbraw/zinc/29/13/43/599291343.db2.gz AQVXLEZKKMFQRU-GFCCVEGCSA-N -1 1 378.314 1.517 20 0 GDADMM COc1ccc(Cl)cc1CN1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826208303 608395408 /nfs/dbraw/zinc/39/54/08/608395408.db2.gz CYNJTVVQZXZUDC-UHFFFAOYSA-N -1 1 386.847 1.641 20 0 GDADMM COc1ccc(Cl)cc1CN1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826208303 608395410 /nfs/dbraw/zinc/39/54/10/608395410.db2.gz CYNJTVVQZXZUDC-UHFFFAOYSA-N -1 1 386.847 1.641 20 0 GDADMM C[C@@H]1CCC[C@@H]1NC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000736263765 598257289 /nfs/dbraw/zinc/25/72/89/598257289.db2.gz SBQARHSXJFXRBO-YPMHNXCESA-N -1 1 386.460 1.752 20 0 GDADMM C[C@H]1CCC[C@@H]1NC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000736263762 598257335 /nfs/dbraw/zinc/25/73/35/598257335.db2.gz SBQARHSXJFXRBO-AAEUAGOBSA-N -1 1 386.460 1.752 20 0 GDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc(I)c(F)c1 ZINC000737771100 598258951 /nfs/dbraw/zinc/25/89/51/598258951.db2.gz PVUQNOGIVIRREM-UHFFFAOYSA-N -1 1 399.127 1.078 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@@H](O)Cc1ccccc1 ZINC000737548359 598260961 /nfs/dbraw/zinc/26/09/61/598260961.db2.gz OXSONASGJNZCFJ-HNNXBMFYSA-N -1 1 392.419 1.892 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@@H](O)Cc1ccccc1 ZINC000737548359 598260963 /nfs/dbraw/zinc/26/09/63/598260963.db2.gz OXSONASGJNZCFJ-HNNXBMFYSA-N -1 1 392.419 1.892 20 0 GDADMM Cc1cccc(N2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)c1 ZINC000737401436 598262680 /nfs/dbraw/zinc/26/26/80/598262680.db2.gz YDDXJPSLADVQEA-UHFFFAOYSA-N -1 1 385.453 1.081 20 0 GDADMM Cc1cccc(N2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)c1 ZINC000737401436 598262682 /nfs/dbraw/zinc/26/26/82/598262682.db2.gz YDDXJPSLADVQEA-UHFFFAOYSA-N -1 1 385.453 1.081 20 0 GDADMM O=S(=O)(NCCCCOc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738341193 598263201 /nfs/dbraw/zinc/26/32/01/598263201.db2.gz CTVIWGFYHGDSOJ-UHFFFAOYSA-N -1 1 392.416 1.538 20 0 GDADMM O=S(=O)(NCCCCOc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738341193 598263202 /nfs/dbraw/zinc/26/32/02/598263202.db2.gz CTVIWGFYHGDSOJ-UHFFFAOYSA-N -1 1 392.416 1.538 20 0 GDADMM O=S(=O)(NCc1ccccc1C(F)(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC000738345503 598271581 /nfs/dbraw/zinc/27/15/81/598271581.db2.gz PJZARFOUWGROKP-UHFFFAOYSA-N -1 1 384.343 1.759 20 0 GDADMM O=S(=O)(NCc1ccccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC000738345503 598271583 /nfs/dbraw/zinc/27/15/83/598271583.db2.gz PJZARFOUWGROKP-UHFFFAOYSA-N -1 1 384.343 1.759 20 0 GDADMM Nc1n[nH]c(CCCNC(=O)Nc2ccc3c(c2)CCCO3)c1-c1nnn[n-]1 ZINC000737776048 598293167 /nfs/dbraw/zinc/29/31/67/598293167.db2.gz GYKGFPWQTAUKTR-UHFFFAOYSA-N -1 1 383.416 1.251 20 0 GDADMM Nc1n[nH]c(CCCNC(=O)Nc2ccc3c(c2)CCCO3)c1-c1nn[n-]n1 ZINC000737776048 598293170 /nfs/dbraw/zinc/29/31/70/598293170.db2.gz GYKGFPWQTAUKTR-UHFFFAOYSA-N -1 1 383.416 1.251 20 0 GDADMM CCc1nnc2n1CCN([C@@H](C)C(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)C2 ZINC000736711057 598350958 /nfs/dbraw/zinc/35/09/58/598350958.db2.gz PDNHVLDTLSESNK-JTQLQIEISA-N -1 1 385.432 1.073 20 0 GDADMM O=S(=O)(NCc1cccc(OCC(F)F)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738346266 598357258 /nfs/dbraw/zinc/35/72/58/598357258.db2.gz WZDZDVNVTZUQMJ-UHFFFAOYSA-N -1 1 396.379 1.384 20 0 GDADMM O=S(=O)(NCc1cccc(OCC(F)F)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738346266 598357260 /nfs/dbraw/zinc/35/72/60/598357260.db2.gz WZDZDVNVTZUQMJ-UHFFFAOYSA-N -1 1 396.379 1.384 20 0 GDADMM CCc1nn(CC(=O)NCc2ccc(C)c(F)c2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706466 598379690 /nfs/dbraw/zinc/37/96/90/598379690.db2.gz WVJPRIAOTSRYBF-UHFFFAOYSA-N -1 1 399.430 1.312 20 0 GDADMM COC(C)(C)C(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000736957957 598457741 /nfs/dbraw/zinc/45/77/41/598457741.db2.gz YUOQYOVKTLLWFX-UHFFFAOYSA-N -1 1 387.400 1.188 20 0 GDADMM CN(Cc1cccs1)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000736827766 598504225 /nfs/dbraw/zinc/50/42/25/598504225.db2.gz BBEYBXYZOYYCOD-UHFFFAOYSA-N -1 1 380.433 1.902 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H](c2ccc(F)cc2)C2CCCC2)n(C)c1=O ZINC000737595741 598521638 /nfs/dbraw/zinc/52/16/38/598521638.db2.gz KRNDXQDQVALCAC-HNNXBMFYSA-N -1 1 399.430 1.747 20 0 GDADMM O=C(c1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1)N1CCOCC1 ZINC000738258572 598573911 /nfs/dbraw/zinc/57/39/11/598573911.db2.gz QFEDXRHMOJDTGJ-UHFFFAOYSA-N -1 1 399.842 2.000 20 0 GDADMM O=C(c1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1)N1CCOCC1 ZINC000738258572 598573913 /nfs/dbraw/zinc/57/39/13/598573913.db2.gz QFEDXRHMOJDTGJ-UHFFFAOYSA-N -1 1 399.842 2.000 20 0 GDADMM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[nH]n3)c2)c1 ZINC000737174013 598593944 /nfs/dbraw/zinc/59/39/44/598593944.db2.gz RJUXCHWMVJCNJT-UHFFFAOYSA-N -1 1 397.413 1.210 20 0 GDADMM Brc1ccc(Cc2nc(Cn3cnc(-c4nn[n-]n4)n3)no2)cc1 ZINC000735369371 598640146 /nfs/dbraw/zinc/64/01/46/598640146.db2.gz SJLZTRVYTUFKEV-UHFFFAOYSA-N -1 1 388.189 1.243 20 0 GDADMM CC(C)c1nccc(N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)n1 ZINC000735942070 598647883 /nfs/dbraw/zinc/64/78/83/598647883.db2.gz CHSIARDXCTWOGE-UHFFFAOYSA-N -1 1 381.444 1.972 20 0 GDADMM COc1ccc(CN(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000737091219 598687293 /nfs/dbraw/zinc/68/72/93/598687293.db2.gz RBEOOUKMEFWVEL-UHFFFAOYSA-N -1 1 377.401 1.835 20 0 GDADMM Cc1noc([C@H]2CCCN(S(=O)(=O)c3ccc(F)c(-c4nn[n-]n4)c3)C2)n1 ZINC000737534952 598692004 /nfs/dbraw/zinc/69/20/04/598692004.db2.gz OMXPMQVVGGJILU-JTQLQIEISA-N -1 1 393.404 1.266 20 0 GDADMM Cc1oc(NC(=O)COC(=O)c2ccc3nccn3c2)c(-c2nn[n-]n2)c1C ZINC000737553947 598723668 /nfs/dbraw/zinc/72/36/68/598723668.db2.gz YGECNLVVVAVXDL-UHFFFAOYSA-N -1 1 381.352 1.520 20 0 GDADMM CCCN(c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)[C@H](C)c1ccccc1OC ZINC000736480332 598815547 /nfs/dbraw/zinc/81/55/47/598815547.db2.gz NFBXURHUBBELOH-GFCCVEGCSA-N -1 1 399.455 1.250 20 0 GDADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2cccc(-c3nn[nH]n3)c2)o1 ZINC000821669286 599323694 /nfs/dbraw/zinc/32/36/94/599323694.db2.gz DWOGFNFSEMDCPQ-VIFPVBQESA-N -1 1 377.382 1.286 20 0 GDADMM Cc1cc([C@H]2CCCN2S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)no1 ZINC000822198568 599335911 /nfs/dbraw/zinc/33/59/11/599335911.db2.gz AQOFTDNZMUGUSS-GFCCVEGCSA-N -1 1 378.389 1.828 20 0 GDADMM Cc1cc([C@H]2CCCN2S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)no1 ZINC000822198568 599335913 /nfs/dbraw/zinc/33/59/13/599335913.db2.gz AQOFTDNZMUGUSS-GFCCVEGCSA-N -1 1 378.389 1.828 20 0 GDADMM CCOC[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000821367330 599345083 /nfs/dbraw/zinc/34/50/83/599345083.db2.gz GQJNSTZLDODTGB-LLVKDONJSA-N -1 1 385.877 1.957 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC(c2cn[nH]c2)CC1 ZINC000737201048 599346815 /nfs/dbraw/zinc/34/68/15/599346815.db2.gz PTCVTIZDNVAVLW-UHFFFAOYSA-N -1 1 396.455 1.646 20 0 GDADMM CN(CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1)c1cccc(O)c1 ZINC000736788018 599354537 /nfs/dbraw/zinc/35/45/37/599354537.db2.gz OEQXCPQAKHIMKF-UHFFFAOYSA-N -1 1 390.407 1.833 20 0 GDADMM CN(CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1)c1cccc(O)c1 ZINC000736788018 599354538 /nfs/dbraw/zinc/35/45/38/599354538.db2.gz OEQXCPQAKHIMKF-UHFFFAOYSA-N -1 1 390.407 1.833 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CCC(c3cn[nH]c3)CC2)cc1-c1nn[n-]n1 ZINC000821969938 599355787 /nfs/dbraw/zinc/35/57/87/599355787.db2.gz GZWKAEHEAIPWHU-UHFFFAOYSA-N -1 1 386.441 1.432 20 0 GDADMM NC(=O)NCCNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000737756294 599385484 /nfs/dbraw/zinc/38/54/84/599385484.db2.gz VQBWCBFAGQINIF-UHFFFAOYSA-N -1 1 385.359 1.196 20 0 GDADMM NC(=O)NCCNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000737756294 599385487 /nfs/dbraw/zinc/38/54/87/599385487.db2.gz VQBWCBFAGQINIF-UHFFFAOYSA-N -1 1 385.359 1.196 20 0 GDADMM COc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1OCC(=O)NC1CC1 ZINC000821835798 599412376 /nfs/dbraw/zinc/41/23/76/599412376.db2.gz RUHIJDVYKYTDIN-UHFFFAOYSA-N -1 1 384.396 1.738 20 0 GDADMM COc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1OCC(=O)NC1CC1 ZINC000821835798 599412379 /nfs/dbraw/zinc/41/23/79/599412379.db2.gz RUHIJDVYKYTDIN-UHFFFAOYSA-N -1 1 384.396 1.738 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCCCCn2ccnc2C)cc1-c1nn[n-]n1 ZINC000821979059 599423182 /nfs/dbraw/zinc/42/31/82/599423182.db2.gz OPQRCTAWGDRQGX-UHFFFAOYSA-N -1 1 388.457 1.404 20 0 GDADMM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736232972 599480689 /nfs/dbraw/zinc/48/06/89/599480689.db2.gz DQYGUXQGSRJETJ-WCQYABFASA-N -1 1 388.428 1.968 20 0 GDADMM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736232972 599480693 /nfs/dbraw/zinc/48/06/93/599480693.db2.gz DQYGUXQGSRJETJ-WCQYABFASA-N -1 1 388.428 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382.438 1.029 20 0 GDADMM Cc1oc(NC(=O)CN2CCc3ccccc3[C@@H]2CO)c(-c2nn[n-]n2)c1C ZINC000826342118 607470339 /nfs/dbraw/zinc/47/03/39/607470339.db2.gz YLTFBTODCZWNNO-HNNXBMFYSA-N -1 1 382.424 1.607 20 0 GDADMM COC(=O)c1cc(NC(=O)[C@H](C)N2CCC[C@H](C(=O)[O-])C2)cc(C(=O)OC)c1 ZINC000737659151 600846076 /nfs/dbraw/zinc/84/60/76/600846076.db2.gz GFNOKKMIHOTLGG-RYUDHWBXSA-N -1 1 392.408 1.383 20 0 GDADMM O=C([O-])[C@@H]1CCN(C(=O)c2[nH]nc3ccc(I)cc32)C1 ZINC000610891476 600864081 /nfs/dbraw/zinc/86/40/81/600864081.db2.gz QLUBJRJARCKTGZ-SSDOTTSWSA-N -1 1 385.161 1.714 20 0 GDADMM COC(=O)c1cc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)c(OC)c(OC)c1 ZINC000610194725 600899608 /nfs/dbraw/zinc/89/96/08/600899608.db2.gz FFHAYMSJWALKIG-UHFFFAOYSA-N -1 1 395.389 1.989 20 0 GDADMM Cc1nnc([C@H]2CN(C(=O)c3ccccc3S[C@H](C)C(=O)[O-])CCO2)[nH]1 ZINC000832990481 600920498 /nfs/dbraw/zinc/92/04/98/600920498.db2.gz BFGLJRWLJYRSIU-ZWNOBZJWSA-N -1 1 376.438 1.892 20 0 GDADMM 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AZBXTUAZFKKSIK-UKRRQHHQSA-N -1 1 377.441 1.410 20 0 GDADMM CCOc1ccc(C=O)c(OS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000825638660 607573775 /nfs/dbraw/zinc/57/37/75/607573775.db2.gz NBDWHEQKQOYNQR-UHFFFAOYSA-N -1 1 392.368 1.985 20 0 GDADMM CCOc1ccc(C=O)c(OS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000825638660 607573777 /nfs/dbraw/zinc/57/37/77/607573777.db2.gz NBDWHEQKQOYNQR-UHFFFAOYSA-N -1 1 392.368 1.985 20 0 GDADMM COCCc1ccc(OS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826163494 607575507 /nfs/dbraw/zinc/57/55/07/607575507.db2.gz XEOXPKXEOUVLJB-UHFFFAOYSA-N -1 1 378.385 1.962 20 0 GDADMM COCCc1ccc(OS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826163494 607575509 /nfs/dbraw/zinc/57/55/09/607575509.db2.gz XEOXPKXEOUVLJB-UHFFFAOYSA-N -1 1 378.385 1.962 20 0 GDADMM CN1CCN(C[C@H](NC(=O)NC[C@H]2CCCN2C(=O)[O-])c2ccccc2)CC1 ZINC000739736226 602605427 /nfs/dbraw/zinc/60/54/27/602605427.db2.gz CUFYKCMNRTVMDF-MSOLQXFVSA-N -1 1 389.500 1.417 20 0 GDADMM C[C@H](CN1CCN(C)CC1)NC(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2 ZINC000738908793 602607467 /nfs/dbraw/zinc/60/74/67/602607467.db2.gz ALFRSQXDMBPQBB-CQSZACIVSA-N -1 1 375.473 1.480 20 0 GDADMM COc1ccccc1[C@H](CNC(=O)N1CCN2CCCC[C@@H]2C1)NC(=O)[O-] ZINC000739965402 602621257 /nfs/dbraw/zinc/62/12/57/602621257.db2.gz XRLRMJDOCPQYBN-ZBFHGGJFSA-N -1 1 376.457 1.884 20 0 GDADMM COc1ccc(-c2n[nH]c(CNC(=O)NCC3CCN(C(=O)[O-])CC3)n2)cc1 ZINC000739880881 602625790 /nfs/dbraw/zinc/62/57/90/602625790.db2.gz ZXJSOWUIBOQBPR-UHFFFAOYSA-N -1 1 388.428 1.670 20 0 GDADMM COc1ccc(-c2nc(CNC(=O)NCC3CCN(C(=O)[O-])CC3)n[nH]2)cc1 ZINC000739880881 602625791 /nfs/dbraw/zinc/62/57/91/602625791.db2.gz ZXJSOWUIBOQBPR-UHFFFAOYSA-N -1 1 388.428 1.670 20 0 GDADMM CN1CCN(Cc2cccc(NC(=O)c3csc(CNC(=O)[O-])n3)c2)CC1 ZINC000739735864 602701260 /nfs/dbraw/zinc/70/12/60/602701260.db2.gz FVVZHTXAXPPQES-UHFFFAOYSA-N -1 1 389.481 1.910 20 0 GDADMM CN1CCN(c2ccc(NC(=O)c3csc(CNC(=O)[O-])n3)nc2)CC1 ZINC000739737245 602708075 /nfs/dbraw/zinc/70/80/75/602708075.db2.gz WFEADVDGEGTAMB-UHFFFAOYSA-N -1 1 376.442 1.310 20 0 GDADMM C[C@H](NC(=O)[O-])[C@@H]1CCCCN1C(=O)c1ccnc(N2CCN(C)CC2)c1 ZINC000739011133 602710481 /nfs/dbraw/zinc/71/04/81/602710481.db2.gz OYXPTVRIVXHJAM-HOCLYGCPSA-N -1 1 375.473 1.484 20 0 GDADMM C[C@H]1CN(C(=O)[O-])CCN1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000739160187 602738087 /nfs/dbraw/zinc/73/80/87/602738087.db2.gz KAGFDXIHTGCXLA-HNNXBMFYSA-N -1 1 378.448 1.549 20 0 GDADMM NC(=O)c1cccc(OS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000826393995 607585756 /nfs/dbraw/zinc/58/57/56/607585756.db2.gz SFQHUHXKQRJJCD-UHFFFAOYSA-N -1 1 379.785 1.387 20 0 GDADMM COCc1ccc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826164728 607585898 /nfs/dbraw/zinc/58/58/98/607585898.db2.gz NFYPYOPIOFHULL-UHFFFAOYSA-N -1 1 377.401 1.631 20 0 GDADMM COCc1ccc(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826164728 607585899 /nfs/dbraw/zinc/58/58/99/607585899.db2.gz NFYPYOPIOFHULL-UHFFFAOYSA-N -1 1 377.401 1.631 20 0 GDADMM CNC(=O)c1ccc(OS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000826067570 607587446 /nfs/dbraw/zinc/58/74/46/607587446.db2.gz JSEVZFPEGMANDV-UHFFFAOYSA-N -1 1 393.812 1.647 20 0 GDADMM C[C@@H]1CCCC[C@@H]1OCCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824941720 607588330 /nfs/dbraw/zinc/58/83/30/607588330.db2.gz ZOFSPIVAEMSIJJ-RISCZKNCSA-N -1 1 383.449 1.879 20 0 GDADMM COc1ccc([C@@H](CNC(=O)[C@H]2COCCN2C(=O)[O-])N2CCCCC2)cc1 ZINC000739897518 602827050 /nfs/dbraw/zinc/82/70/50/602827050.db2.gz WYPLONFKENOLKJ-QZTJIDSGSA-N -1 1 391.468 1.717 20 0 GDADMM CC(C)Oc1ncccc1CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824337916 607589720 /nfs/dbraw/zinc/58/97/20/607589720.db2.gz JXDDIDTZPOTQNS-UHFFFAOYSA-N -1 1 392.416 1.667 20 0 GDADMM CC(C)Oc1ncccc1CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824337916 607589722 /nfs/dbraw/zinc/58/97/22/607589722.db2.gz JXDDIDTZPOTQNS-UHFFFAOYSA-N -1 1 392.416 1.667 20 0 GDADMM O=S(=O)(NCc1ccn(-c2ccccc2)n1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826491856 607592499 /nfs/dbraw/zinc/59/24/99/607592499.db2.gz GKVXEWUNXLJAIM-UHFFFAOYSA-N -1 1 399.411 1.670 20 0 GDADMM CN1CCN(c2ncccc2CNC(=O)N[C@@H]2CCCCN(C(=O)[O-])C2)CC1 ZINC000739735873 602895389 /nfs/dbraw/zinc/89/53/89/602895389.db2.gz FZUCETHHNZRZMF-MRXNPFEDSA-N -1 1 390.488 1.165 20 0 GDADMM COc1ccccc1[C@H](NC(=O)[O-])C(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000739971432 602904534 /nfs/dbraw/zinc/90/45/34/602904534.db2.gz BKZZXFLYJMLVAW-UXLLHSPISA-N -1 1 377.441 1.062 20 0 GDADMM CCn1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c(=O)c2ccc(C)nc21 ZINC000825800027 607594858 /nfs/dbraw/zinc/59/48/58/607594858.db2.gz ZUJCTIMKYNKFSV-UHFFFAOYSA-N -1 1 391.391 1.657 20 0 GDADMM CCn1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c(=O)c2ccc(C)nc21 ZINC000825800027 607594860 /nfs/dbraw/zinc/59/48/60/607594860.db2.gz ZUJCTIMKYNKFSV-UHFFFAOYSA-N -1 1 391.391 1.657 20 0 GDADMM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)NC[C@H](C)N1CCN(C)CC1 ZINC000829181755 602928091 /nfs/dbraw/zinc/92/80/91/602928091.db2.gz CITWWGFLGSWCEI-NSHDSACASA-N -1 1 384.864 1.804 20 0 GDADMM COc1cccc([C@H](CNC(=O)N2CC[C@H](NC(=O)[O-])[C@@H](C)C2)N(C)C)c1 ZINC000739944237 602931920 /nfs/dbraw/zinc/93/19/20/602931920.db2.gz COVRQJDFUKRMCY-JQFCIGGWSA-N -1 1 378.473 1.986 20 0 GDADMM C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1 ZINC000739198428 602981375 /nfs/dbraw/zinc/98/13/75/602981375.db2.gz MKPSLEAUFKHVIP-UKRRQHHQSA-N -1 1 376.461 1.292 20 0 GDADMM CCN(CCc1ccccn1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825429202 607595497 /nfs/dbraw/zinc/59/54/97/607595497.db2.gz YHVUHJUBUNXKIT-UHFFFAOYSA-N -1 1 376.417 1.654 20 0 GDADMM CCN1CCN(c2ccc(CNC(=O)[C@H]3CCC[C@@H]3NC(=O)[O-])cn2)CC1 ZINC000739454752 603024997 /nfs/dbraw/zinc/02/49/97/603024997.db2.gz ARPHLXVJLHRJKV-HOTGVXAUSA-N -1 1 375.473 1.276 20 0 GDADMM O=C([O-])N1CCC2(CC1)NC(=O)N(CN1CCC[C@H]1Cc1ccccc1)C2=O ZINC000740508198 603047488 /nfs/dbraw/zinc/04/74/88/603047488.db2.gz YTZCDNZLEOFRBF-INIZCTEOSA-N -1 1 386.452 1.715 20 0 GDADMM CC[C@@H]1CN(C(=O)[C@H](C)[C@H](NC(=O)[O-])c2ccccc2)CCN1C[C@H](C)O ZINC000826675475 603058240 /nfs/dbraw/zinc/05/82/40/603058240.db2.gz LJZMOXWMVBKWGA-IDCNUPLLSA-N -1 1 377.485 1.935 20 0 GDADMM COC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000826134128 607604879 /nfs/dbraw/zinc/60/48/79/607604879.db2.gz SLSRSRKOEFPDKM-SECBINFHSA-N -1 1 385.833 1.094 20 0 GDADMM COC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000826134128 607604880 /nfs/dbraw/zinc/60/48/80/607604880.db2.gz SLSRSRKOEFPDKM-SECBINFHSA-N -1 1 385.833 1.094 20 0 GDADMM COC(=O)[C@@H](C)CN(C1CC1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826098368 607604900 /nfs/dbraw/zinc/60/49/00/607604900.db2.gz CCWIJIXGEYVQMH-VIFPVBQESA-N -1 1 399.860 1.482 20 0 GDADMM COC(=O)[C@@H](C)CN(C1CC1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826098368 607604901 /nfs/dbraw/zinc/60/49/01/607604901.db2.gz CCWIJIXGEYVQMH-VIFPVBQESA-N -1 1 399.860 1.482 20 0 GDADMM CCn1nc(C)c(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c1C ZINC000825806824 607604978 /nfs/dbraw/zinc/60/49/78/607604978.db2.gz GOXRMDRRBMCVJU-UHFFFAOYSA-N -1 1 395.876 1.832 20 0 GDADMM CCn1nc(C)c(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c1C ZINC000825806824 607604979 /nfs/dbraw/zinc/60/49/79/607604979.db2.gz GOXRMDRRBMCVJU-UHFFFAOYSA-N -1 1 395.876 1.832 20 0 GDADMM CCCc1nnc([C@@H]2CN(C(=O)[C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)[O-])CCO2)[nH]1 ZINC000826953054 603077869 /nfs/dbraw/zinc/07/78/69/603077869.db2.gz AQYBYNRNWUBGJY-QPSCCSFWSA-N -1 1 391.472 1.968 20 0 GDADMM CCCc1n[nH]c([C@@H]2CN(C(=O)[C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)[O-])CCO2)n1 ZINC000826953054 603077874 /nfs/dbraw/zinc/07/78/74/603077874.db2.gz AQYBYNRNWUBGJY-QPSCCSFWSA-N -1 1 391.472 1.968 20 0 GDADMM CS(=O)(=O)Nc1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)ccc1F ZINC000826223155 607605990 /nfs/dbraw/zinc/60/59/90/607605990.db2.gz COKIUKKSJBLNAR-UHFFFAOYSA-N -1 1 392.372 1.129 20 0 GDADMM CN(C)[C@H](CNC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1)c1cccc(F)c1 ZINC000739604642 603108090 /nfs/dbraw/zinc/10/80/90/603108090.db2.gz ZMHYZWXPVJPBFA-MRXNPFEDSA-N -1 1 380.464 1.619 20 0 GDADMM CN(C)[C@H](CNC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1)c1ccc(F)cc1 ZINC000739602655 603120931 /nfs/dbraw/zinc/12/09/31/603120931.db2.gz PGPNCILRNWMZQV-MRXNPFEDSA-N -1 1 380.464 1.619 20 0 GDADMM COc1ccccc1[C@H](CNC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-])N1CCCC1 ZINC000739955722 603132934 /nfs/dbraw/zinc/13/29/34/603132934.db2.gz BSJHSGXZECUZON-BMFZPTHFSA-N -1 1 377.441 1.062 20 0 GDADMM O=S(=O)(N[C@H]1CCN(c2ccccc2)C1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826488017 607610579 /nfs/dbraw/zinc/61/05/79/607610579.db2.gz GRSNJGIGSKOXKP-LBPRGKRZSA-N -1 1 388.428 1.563 20 0 GDADMM O=S(=O)(N[C@H]1CCN(c2ccccc2)C1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826488017 607610581 /nfs/dbraw/zinc/61/05/81/607610581.db2.gz GRSNJGIGSKOXKP-LBPRGKRZSA-N -1 1 388.428 1.563 20 0 GDADMM C[C@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)c1nnc2n1CCC2 ZINC000824641057 607611202 /nfs/dbraw/zinc/61/12/02/607611202.db2.gz RUFWLWTYMLSLQZ-QMMMGPOBSA-N -1 1 394.848 1.097 20 0 GDADMM 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C[C@H](O)CCN(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824698711 607741729 /nfs/dbraw/zinc/74/17/29/607741729.db2.gz NNYNJAJQMUNCFY-QMMMGPOBSA-N -1 1 379.364 1.277 20 0 GDADMM C[C@@H]1CN(C(=O)[C@H]2CCCN2Cc2ccc(F)cc2)CCN1CCC(=O)[O-] ZINC000833618107 605254475 /nfs/dbraw/zinc/25/44/75/605254475.db2.gz KTCDURKPKDRKHN-CRAIPNDOSA-N -1 1 377.460 1.798 20 0 GDADMM C[C@H](CS(=O)(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1)C(=O)[O-] ZINC000833521000 605267240 /nfs/dbraw/zinc/26/72/40/605267240.db2.gz XLOIEWLHMSSVKO-OCCSQVGLSA-N -1 1 378.454 1.702 20 0 GDADMM C[C@H](CS(=O)(=O)N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1)C(=O)[O-] ZINC000833521000 605267242 /nfs/dbraw/zinc/26/72/42/605267242.db2.gz XLOIEWLHMSSVKO-OCCSQVGLSA-N -1 1 378.454 1.702 20 0 GDADMM C[C@H]1CN(C(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)CCN1CCC(=O)[O-] ZINC000833620893 605279098 /nfs/dbraw/zinc/27/90/98/605279098.db2.gz YLPUQKZTJWSFDG-NWDGAFQWSA-N -1 1 395.378 1.157 20 0 GDADMM O=C([O-])N(CC(=O)OCC1=Nc2ccccc2S(=O)(=O)N1)c1ccccc1 ZINC000831455858 605313301 /nfs/dbraw/zinc/31/33/01/605313301.db2.gz KUOAZROWBMUCHO-UHFFFAOYSA-N -1 1 389.389 1.736 20 0 GDADMM O=C([O-])N1CC(OCCC(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)C1 ZINC000834073378 605314212 /nfs/dbraw/zinc/31/42/12/605314212.db2.gz LFEXMJGIBMFDKD-OAHLLOKOSA-N -1 1 385.424 1.904 20 0 GDADMM O=C([O-])N1CC(OCCC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)C1 ZINC000834073378 605314220 /nfs/dbraw/zinc/31/42/20/605314220.db2.gz LFEXMJGIBMFDKD-OAHLLOKOSA-N -1 1 385.424 1.904 20 0 GDADMM CC1=C(C(=O)[O-])C[C@H](CN2CCC(NS(=O)(=O)c3cccs3)CC2)O1 ZINC000833583510 605315924 /nfs/dbraw/zinc/31/59/24/605315924.db2.gz IGZNNDWBDJDBTL-CYBMUJFWSA-N -1 1 386.495 1.638 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(CN3C[C@H](C(=O)[O-])CC3=O)C[C@@H]21 ZINC000833438345 605349199 /nfs/dbraw/zinc/34/91/99/605349199.db2.gz HYCRQSHHMPMTQH-APIJFGDWSA-N -1 1 381.473 1.502 20 0 GDADMM O=C([O-])N1CC[C@@H](N(C(=O)NC2CCN(Cc3ccccn3)CC2)C2CC2)C1 ZINC000831928119 605378355 /nfs/dbraw/zinc/37/83/55/605378355.db2.gz JFFSYUCWOCSSSA-GOSISDBHSA-N -1 1 387.484 1.972 20 0 GDADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)COc3ccccc3O)cc2)n1 ZINC000832729511 605439881 /nfs/dbraw/zinc/43/98/81/605439881.db2.gz FGPFWTQSJLDJEB-UHFFFAOYSA-N -1 1 383.364 1.962 20 0 GDADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)COc3ccccc3O)cc2)n[nH]1 ZINC000832729511 605439885 /nfs/dbraw/zinc/43/98/85/605439885.db2.gz FGPFWTQSJLDJEB-UHFFFAOYSA-N -1 1 383.364 1.962 20 0 GDADMM C[C@H](NC(=O)C(=O)Nc1cnn(-c2ccncc2)c1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000825067042 605492463 /nfs/dbraw/zinc/49/24/63/605492463.db2.gz QZVZBIPKJSNYKB-STQMWFEESA-N -1 1 386.412 1.101 20 0 GDADMM CN(CCCNC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)C(=O)[O-] ZINC000828293590 605566595 /nfs/dbraw/zinc/56/65/95/605566595.db2.gz PEHJSXQUXQTOPK-SJORKVTESA-N -1 1 378.473 1.169 20 0 GDADMM O=C([O-])NCCOc1ccc(NC(=O)C(=O)N[C@@H]2CCCc3cn[nH]c32)cc1 ZINC000834244369 605576541 /nfs/dbraw/zinc/57/65/41/605576541.db2.gz IXUIMXMZSQMJIF-CQSZACIVSA-N -1 1 387.396 1.188 20 0 GDADMM CCOC(=O)CC[C@@H]1CCCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC000825507940 607764245 /nfs/dbraw/zinc/76/42/45/607764245.db2.gz VDKIBOXJCQMWHO-NSHDSACASA-N -1 1 376.421 1.187 20 0 GDADMM CCOC(=O)CC[C@@H]1CCCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC000825507940 607764246 /nfs/dbraw/zinc/76/42/46/607764246.db2.gz VDKIBOXJCQMWHO-NSHDSACASA-N -1 1 376.421 1.187 20 0 GDADMM O=C([O-])NCc1nc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)cs1 ZINC000834248276 605622486 /nfs/dbraw/zinc/62/24/86/605622486.db2.gz BTEPALQDHNQRHA-AWEZNQCLSA-N -1 1 390.465 1.060 20 0 GDADMM CC1(C)OC[C@@H]2C[C@@]21NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000529786153 649960309 /nfs/dbraw/zinc/96/03/09/649960309.db2.gz WSYUDESHNYYKOR-BJOHPYRUSA-N -1 1 393.292 1.955 20 0 GDADMM C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCC(CCN(C)C(=O)[O-])CC1 ZINC000833789008 605651462 /nfs/dbraw/zinc/65/14/62/605651462.db2.gz FKKJMAGLXCWCAG-CYBMUJFWSA-N -1 1 376.457 1.824 20 0 GDADMM COC(=O)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)Cc1ccccc1OC ZINC000826104101 607771116 /nfs/dbraw/zinc/77/11/16/607771116.db2.gz PMZCOFURHYOKGZ-CQSZACIVSA-N -1 1 396.407 1.032 20 0 GDADMM COC(=O)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)Cc1ccccc1OC ZINC000826104101 607771117 /nfs/dbraw/zinc/77/11/17/607771117.db2.gz PMZCOFURHYOKGZ-CQSZACIVSA-N -1 1 396.407 1.032 20 0 GDADMM N=C(NOCc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1COCCN1C(=O)[O-] ZINC000833981255 605731808 /nfs/dbraw/zinc/73/18/08/605731808.db2.gz SXTMZSAIIKBLPV-NSHDSACASA-N -1 1 381.776 1.767 20 0 GDADMM O=C([O-])N[C@@H](CNC(=O)N1CCC(CCCN2CCOCC2)CC1)C1CC1 ZINC000834138277 605764688 /nfs/dbraw/zinc/76/46/88/605764688.db2.gz CUELEHDNAGLLDG-KRWDZBQOSA-N -1 1 382.505 1.567 20 0 GDADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)[C@@H]3CCn4cncc4C3)cc2)n1 ZINC000834246430 605844448 /nfs/dbraw/zinc/84/44/48/605844448.db2.gz BMUWUFQGIUAOTA-GFCCVEGCSA-N -1 1 381.396 1.637 20 0 GDADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)[C@@H]3CCn4cncc4C3)cc2)n[nH]1 ZINC000834246430 605844450 /nfs/dbraw/zinc/84/44/50/605844450.db2.gz BMUWUFQGIUAOTA-GFCCVEGCSA-N -1 1 381.396 1.637 20 0 GDADMM O=C([O-])Nc1ccc(CNCCNS(=O)(=O)c2ccc(Cl)s2)cn1 ZINC000834260416 605914364 /nfs/dbraw/zinc/91/43/64/605914364.db2.gz SFBLVCWTMDZKIN-UHFFFAOYSA-N -1 1 390.874 1.955 20 0 GDADMM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2CC(=O)N1CCN(Cc2cccs2)CC1 ZINC000834094179 605965946 /nfs/dbraw/zinc/96/59/46/605965946.db2.gz FJZKQQBGESJCTL-CVEARBPZSA-N -1 1 392.525 1.609 20 0 GDADMM O=C([O-])N1CC[C@H](CN2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)C1 ZINC000834004762 606095121 /nfs/dbraw/zinc/09/51/21/606095121.db2.gz FZYYGAGVKQXARG-CQSZACIVSA-N -1 1 380.876 1.896 20 0 GDADMM Cc1ccc(CNC(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)cc1F ZINC000822237298 606137717 /nfs/dbraw/zinc/13/77/17/606137717.db2.gz NXKZLLSJJHEGJL-UHFFFAOYSA-N -1 1 375.385 1.849 20 0 GDADMM Cc1ccc(CNC(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)cc1F ZINC000822237298 606137719 /nfs/dbraw/zinc/13/77/19/606137719.db2.gz NXKZLLSJJHEGJL-UHFFFAOYSA-N -1 1 375.385 1.849 20 0 GDADMM COc1ccccc1CNC(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821898770 606137782 /nfs/dbraw/zinc/13/77/82/606137782.db2.gz RRYZHEHQIJCDNV-JTQLQIEISA-N -1 1 387.421 1.799 20 0 GDADMM COc1ccccc1CNC(=O)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821898770 606137783 /nfs/dbraw/zinc/13/77/83/606137783.db2.gz RRYZHEHQIJCDNV-JTQLQIEISA-N -1 1 387.421 1.799 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)NCc1cc(F)cc(F)c1 ZINC000823026693 606140718 /nfs/dbraw/zinc/14/07/18/606140718.db2.gz AUWWSQBGYVBFKI-UHFFFAOYSA-N -1 1 379.348 1.680 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)NCc1cc(F)cc(F)c1 ZINC000823026693 606140721 /nfs/dbraw/zinc/14/07/21/606140721.db2.gz AUWWSQBGYVBFKI-UHFFFAOYSA-N -1 1 379.348 1.680 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2cnn(Cc3ccccc3)c2)n1 ZINC000822619655 606163460 /nfs/dbraw/zinc/16/34/60/606163460.db2.gz DBHHJGHATUAWBP-UHFFFAOYSA-N -1 1 378.400 1.167 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2cnn(Cc3ccccc3)c2)n1 ZINC000822619655 606163461 /nfs/dbraw/zinc/16/34/61/606163461.db2.gz DBHHJGHATUAWBP-UHFFFAOYSA-N -1 1 378.400 1.167 20 0 GDADMM COc1ccc(NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1N1CCOC1=O ZINC000821831466 606163656 /nfs/dbraw/zinc/16/36/56/606163656.db2.gz AFYXTGDBVNHQSD-UHFFFAOYSA-N -1 1 399.371 1.209 20 0 GDADMM COc1ccc(NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1N1CCOC1=O ZINC000821831466 606163658 /nfs/dbraw/zinc/16/36/58/606163658.db2.gz AFYXTGDBVNHQSD-UHFFFAOYSA-N -1 1 399.371 1.209 20 0 GDADMM C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1cc(-c3nn[nH]n3)ccc1[O-])C2=O ZINC000820698286 606194898 /nfs/dbraw/zinc/19/48/98/606194898.db2.gz SIAXOGMWVSDKKP-XTZNXHDOSA-N -1 1 399.411 1.012 20 0 GDADMM Cc1nn(C)c(Cl)c1[C@H]1CCCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000822497005 606195770 /nfs/dbraw/zinc/19/57/70/606195770.db2.gz WDPFZCFFUAYGPZ-SNVBAGLBSA-N -1 1 390.839 1.665 20 0 GDADMM Cc1nn(C)c(Cl)c1[C@H]1CCCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000822497005 606195771 /nfs/dbraw/zinc/19/57/71/606195771.db2.gz WDPFZCFFUAYGPZ-SNVBAGLBSA-N -1 1 390.839 1.665 20 0 GDADMM Cn1cncc1CN1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000822703640 606201369 /nfs/dbraw/zinc/20/13/69/606201369.db2.gz ACDLLFSCTJKYMG-UHFFFAOYSA-N -1 1 381.400 1.170 20 0 GDADMM CC(C)CNC(=O)N1CCC[C@H](C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])C1 ZINC000820098414 606297409 /nfs/dbraw/zinc/29/74/09/606297409.db2.gz YJVPLVMXPSYAOP-ZDUSSCGKSA-N -1 1 387.444 1.588 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC(OCCCOc2ccccc2)C1 ZINC000823478680 606300065 /nfs/dbraw/zinc/30/00/65/606300065.db2.gz PDOAZRPZQAIKLS-UHFFFAOYSA-N -1 1 380.408 1.572 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC(OCCCOc2ccccc2)C1 ZINC000823478680 606300067 /nfs/dbraw/zinc/30/00/67/606300067.db2.gz PDOAZRPZQAIKLS-UHFFFAOYSA-N -1 1 380.408 1.572 20 0 GDADMM COc1ccc2[nH]cc(CCNS(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)c2c1 ZINC000821849379 606435380 /nfs/dbraw/zinc/43/53/80/606435380.db2.gz GOLMDORGOFXWEL-UHFFFAOYSA-N -1 1 399.436 1.273 20 0 GDADMM COc1ccc2[nH]cc(CCNS(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)c2c1 ZINC000821849379 606435383 /nfs/dbraw/zinc/43/53/83/606435383.db2.gz GOLMDORGOFXWEL-UHFFFAOYSA-N -1 1 399.436 1.273 20 0 GDADMM CS(=O)(=O)NC[C@@H]1CCCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000821936600 606453903 /nfs/dbraw/zinc/45/39/03/606453903.db2.gz CAGNKFNEGWXUEE-LBPRGKRZSA-N -1 1 387.469 1.181 20 0 GDADMM CS(=O)(=O)NC[C@@H]1CCCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000821936600 606453905 /nfs/dbraw/zinc/45/39/05/606453905.db2.gz CAGNKFNEGWXUEE-LBPRGKRZSA-N -1 1 387.469 1.181 20 0 GDADMM COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000821691355 606458761 /nfs/dbraw/zinc/45/87/61/606458761.db2.gz RKQLGTZPXZYUHF-GHMZBOCLSA-N -1 1 379.852 1.283 20 0 GDADMM COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000821691355 606458762 /nfs/dbraw/zinc/45/87/62/606458762.db2.gz RKQLGTZPXZYUHF-GHMZBOCLSA-N -1 1 379.852 1.283 20 0 GDADMM Cc1nsc(N2CCN(c3cc(-c4nnn[n-]4)nc4ccccc43)CC2)n1 ZINC000822530478 606469226 /nfs/dbraw/zinc/46/92/26/606469226.db2.gz CXOILZLUKUHLSZ-UHFFFAOYSA-N -1 1 379.453 1.901 20 0 GDADMM Cc1nsc(N2CCN(c3cc(-c4nn[n-]n4)nc4ccccc43)CC2)n1 ZINC000822530478 606469227 /nfs/dbraw/zinc/46/92/27/606469227.db2.gz CXOILZLUKUHLSZ-UHFFFAOYSA-N -1 1 379.453 1.901 20 0 GDADMM CCO[C@H]1C[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C12CCCCC2 ZINC000821360321 606484215 /nfs/dbraw/zinc/48/42/15/606484215.db2.gz QRAICRCMHAUBKD-GJZGRUSLSA-N -1 1 392.485 1.668 20 0 GDADMM CCO[C@H]1C[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C12CCCCC2 ZINC000821360321 606484216 /nfs/dbraw/zinc/48/42/16/606484216.db2.gz QRAICRCMHAUBKD-GJZGRUSLSA-N -1 1 392.485 1.668 20 0 GDADMM COc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)c(OC)c1OC ZINC000821798817 606503586 /nfs/dbraw/zinc/50/35/86/606503586.db2.gz OTFXAQOHGXQWEW-UHFFFAOYSA-N -1 1 375.410 1.884 20 0 GDADMM COc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)c(OC)c1OC ZINC000821798817 606503587 /nfs/dbraw/zinc/50/35/87/606503587.db2.gz OTFXAQOHGXQWEW-UHFFFAOYSA-N -1 1 375.410 1.884 20 0 GDADMM O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000823383703 606507708 /nfs/dbraw/zinc/50/77/08/606507708.db2.gz XYLXGEYEBSETGC-QMMMGPOBSA-N -1 1 375.439 1.628 20 0 GDADMM O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823383703 606507710 /nfs/dbraw/zinc/50/77/10/606507710.db2.gz XYLXGEYEBSETGC-QMMMGPOBSA-N -1 1 375.439 1.628 20 0 GDADMM CNC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821634905 606508566 /nfs/dbraw/zinc/50/85/66/606508566.db2.gz ABTFMGGARQNVCD-UHFFFAOYSA-N -1 1 388.409 1.557 20 0 GDADMM CNC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821634905 606508567 /nfs/dbraw/zinc/50/85/67/606508567.db2.gz ABTFMGGARQNVCD-UHFFFAOYSA-N -1 1 388.409 1.557 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000823436426 606517994 /nfs/dbraw/zinc/51/79/94/606517994.db2.gz VDNBIKAXYHMVKJ-MRXNPFEDSA-N -1 1 392.419 1.857 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000823436426 606517997 /nfs/dbraw/zinc/51/79/97/606517997.db2.gz VDNBIKAXYHMVKJ-MRXNPFEDSA-N -1 1 392.419 1.857 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000823484308 606537029 /nfs/dbraw/zinc/53/70/29/606537029.db2.gz VMKBJONFFRDFDC-UHFFFAOYSA-N -1 1 375.845 1.939 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000823484308 606537030 /nfs/dbraw/zinc/53/70/30/606537030.db2.gz VMKBJONFFRDFDC-UHFFFAOYSA-N -1 1 375.845 1.939 20 0 GDADMM Cc1ccc(CC(=O)N2CCN(C(=O)c3ccc(-c4nnn[n-]4)s3)CC2)cc1 ZINC000822233939 606544269 /nfs/dbraw/zinc/54/42/69/606544269.db2.gz YDMSEOOSQKEZIY-UHFFFAOYSA-N -1 1 396.476 1.764 20 0 GDADMM Cc1ccc(CC(=O)N2CCN(C(=O)c3ccc(-c4nn[n-]n4)s3)CC2)cc1 ZINC000822233939 606544271 /nfs/dbraw/zinc/54/42/71/606544271.db2.gz YDMSEOOSQKEZIY-UHFFFAOYSA-N -1 1 396.476 1.764 20 0 GDADMM COC(=O)[C@@]1(F)CCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)C1 ZINC000821654200 606546683 /nfs/dbraw/zinc/54/66/83/606546683.db2.gz WXRLJAUSHWVRIT-QGZVFWFLSA-N -1 1 388.359 1.286 20 0 GDADMM COC(=O)[C@@]1(F)CCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)C1 ZINC000821654200 606546685 /nfs/dbraw/zinc/54/66/85/606546685.db2.gz WXRLJAUSHWVRIT-QGZVFWFLSA-N -1 1 388.359 1.286 20 0 GDADMM CN1C(=S)N=NC1[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000822605029 606554463 /nfs/dbraw/zinc/55/44/63/606554463.db2.gz VIZCMGPZBNTETQ-QMMMGPOBSA-N -1 1 376.471 1.365 20 0 GDADMM CN1C(=S)N=NC1[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000822605029 606554464 /nfs/dbraw/zinc/55/44/64/606554464.db2.gz VIZCMGPZBNTETQ-QMMMGPOBSA-N -1 1 376.471 1.365 20 0 GDADMM NC(=O)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)Cc1ccccc1Cl ZINC000822850501 606555684 /nfs/dbraw/zinc/55/56/84/606555684.db2.gz IMCBPUQYOWFFTD-SNVBAGLBSA-N -1 1 390.856 1.656 20 0 GDADMM NC(=O)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)Cc1ccccc1Cl ZINC000822850501 606555686 /nfs/dbraw/zinc/55/56/86/606555686.db2.gz IMCBPUQYOWFFTD-SNVBAGLBSA-N -1 1 390.856 1.656 20 0 GDADMM O=C(NCCNC(=O)c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)s1 ZINC000823196495 606561077 /nfs/dbraw/zinc/56/10/77/606561077.db2.gz HAIQYCLMFYECMW-UHFFFAOYSA-N -1 1 378.364 1.366 20 0 GDADMM O=C(NCCNC(=O)c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)s1 ZINC000823196495 606561079 /nfs/dbraw/zinc/56/10/79/606561079.db2.gz HAIQYCLMFYECMW-UHFFFAOYSA-N -1 1 378.364 1.366 20 0 GDADMM CO[C@@H](C)c1nc(CN2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)cs1 ZINC000821675468 606593632 /nfs/dbraw/zinc/59/36/32/606593632.db2.gz LZWGJKMTAWRKSB-LBPRGKRZSA-N -1 1 386.485 1.748 20 0 GDADMM CO[C@@H](C)c1nc(CN2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)cs1 ZINC000821675468 606593633 /nfs/dbraw/zinc/59/36/33/606593633.db2.gz LZWGJKMTAWRKSB-LBPRGKRZSA-N -1 1 386.485 1.748 20 0 GDADMM CS(=O)(=O)c1ccc(Cl)c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000821936701 606651714 /nfs/dbraw/zinc/65/17/14/606651714.db2.gz DPWIHMNRCYNKKY-UHFFFAOYSA-N -1 1 393.812 1.676 20 0 GDADMM CS(=O)(=O)c1ccc(Cl)c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000821936701 606651715 /nfs/dbraw/zinc/65/17/15/606651715.db2.gz DPWIHMNRCYNKKY-UHFFFAOYSA-N -1 1 393.812 1.676 20 0 GDADMM C[C@]1(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)CCCN1C(=O)c1ccccc1 ZINC000820577208 606651804 /nfs/dbraw/zinc/65/18/04/606651804.db2.gz MXCXGIOJPNIYMM-HXUWFJFHSA-N -1 1 392.419 2.000 20 0 GDADMM C[C@]1(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)CCCN1C(=O)c1ccccc1 ZINC000820577208 606651805 /nfs/dbraw/zinc/65/18/05/606651805.db2.gz MXCXGIOJPNIYMM-HXUWFJFHSA-N -1 1 392.419 2.000 20 0 GDADMM CCc1oc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cc1C ZINC000821558843 606737695 /nfs/dbraw/zinc/73/76/95/606737695.db2.gz HJYNBOIDCYJVBV-GFCCVEGCSA-N -1 1 382.428 1.471 20 0 GDADMM CCc1oc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cc1C ZINC000821558843 606737697 /nfs/dbraw/zinc/73/76/97/606737697.db2.gz HJYNBOIDCYJVBV-GFCCVEGCSA-N -1 1 382.428 1.471 20 0 GDADMM COc1cccc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1 ZINC000821871611 606768018 /nfs/dbraw/zinc/76/80/18/606768018.db2.gz BJAKHMGBJIFTRG-LBPRGKRZSA-N -1 1 395.427 1.408 20 0 GDADMM COc1cccc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1 ZINC000821871611 606768020 /nfs/dbraw/zinc/76/80/20/606768020.db2.gz BJAKHMGBJIFTRG-LBPRGKRZSA-N -1 1 395.427 1.408 20 0 GDADMM C[C@@H]1CCCC[C@H]1NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820706382 606786662 /nfs/dbraw/zinc/78/66/62/606786662.db2.gz ZJZSPIABOHMREM-MGPQQGTHSA-N -1 1 385.476 1.456 20 0 GDADMM C[C@@H]1CCCC[C@H]1NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820706382 606786664 /nfs/dbraw/zinc/78/66/64/606786664.db2.gz ZJZSPIABOHMREM-MGPQQGTHSA-N -1 1 385.476 1.456 20 0 GDADMM CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820978656 606789434 /nfs/dbraw/zinc/78/94/34/606789434.db2.gz BTWKUUAUNRFAJQ-KFWWJZLASA-N -1 1 399.503 1.846 20 0 GDADMM CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820978656 606789436 /nfs/dbraw/zinc/78/94/36/606789436.db2.gz BTWKUUAUNRFAJQ-KFWWJZLASA-N -1 1 399.503 1.846 20 0 GDADMM Cc1ccc([C@H](C)NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)o1 ZINC000822228962 606789810 /nfs/dbraw/zinc/78/98/10/606789810.db2.gz JNMRPVYGXHIDRC-YPMHNXCESA-N -1 1 397.443 1.539 20 0 GDADMM Cc1ccc([C@H](C)NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)o1 ZINC000822228962 606789811 /nfs/dbraw/zinc/78/98/11/606789811.db2.gz JNMRPVYGXHIDRC-YPMHNXCESA-N -1 1 397.443 1.539 20 0 GDADMM C[C@@H]1CC[C@H](NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)[C@@H](C)C1 ZINC000820691106 606792583 /nfs/dbraw/zinc/79/25/83/606792583.db2.gz VKAATJIAGDSGNR-BARDWOONSA-N -1 1 399.503 1.702 20 0 GDADMM C[C@@H]1CC[C@H](NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)[C@@H](C)C1 ZINC000820691106 606792585 /nfs/dbraw/zinc/79/25/85/606792585.db2.gz VKAATJIAGDSGNR-BARDWOONSA-N -1 1 399.503 1.702 20 0 GDADMM CS(=O)(=O)N[C@H]1CCC[C@H]1CNc1snc(Cl)c1-c1nnn[n-]1 ZINC000821932416 606807991 /nfs/dbraw/zinc/80/79/91/606807991.db2.gz LYPXKHVZRDOETM-BQBZGAKWSA-N -1 1 377.883 1.106 20 0 GDADMM CS(=O)(=O)N[C@H]1CCC[C@H]1CNc1snc(Cl)c1-c1nn[n-]n1 ZINC000821932416 606807992 /nfs/dbraw/zinc/80/79/92/606807992.db2.gz LYPXKHVZRDOETM-BQBZGAKWSA-N -1 1 377.883 1.106 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCOc1ccccc1 ZINC000820775482 606818719 /nfs/dbraw/zinc/81/87/19/606818719.db2.gz IIKJHDUIFCVERA-AWEZNQCLSA-N -1 1 394.439 1.163 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCOc1ccccc1 ZINC000820775482 606818720 /nfs/dbraw/zinc/81/87/20/606818720.db2.gz IIKJHDUIFCVERA-AWEZNQCLSA-N -1 1 394.439 1.163 20 0 GDADMM Cc1ccc(OCC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cc1 ZINC000822263769 606820829 /nfs/dbraw/zinc/82/08/29/606820829.db2.gz YOVIINYNBQFBGK-CQSZACIVSA-N -1 1 394.439 1.081 20 0 GDADMM Cc1ccc(OCC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cc1 ZINC000822263769 606820831 /nfs/dbraw/zinc/82/08/31/606820831.db2.gz YOVIINYNBQFBGK-CQSZACIVSA-N -1 1 394.439 1.081 20 0 GDADMM C[C@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)c1cccc(F)c1 ZINC000819854297 606824219 /nfs/dbraw/zinc/82/42/19/606824219.db2.gz CAXFUKJSEKZHIL-STQMWFEESA-N -1 1 396.430 1.637 20 0 GDADMM C[C@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)c1cccc(F)c1 ZINC000819854297 606824221 /nfs/dbraw/zinc/82/42/21/606824221.db2.gz CAXFUKJSEKZHIL-STQMWFEESA-N -1 1 396.430 1.637 20 0 GDADMM Cc1cc(C)cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1 ZINC000822196232 606825388 /nfs/dbraw/zinc/82/53/88/606825388.db2.gz ARUAMDAWZCQIKS-AWEZNQCLSA-N -1 1 378.440 1.624 20 0 GDADMM Cc1cc(C)cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1 ZINC000822196232 606825389 /nfs/dbraw/zinc/82/53/89/606825389.db2.gz ARUAMDAWZCQIKS-AWEZNQCLSA-N -1 1 378.440 1.624 20 0 GDADMM COc1ccccc1N1CC[C@H](OC(=O)c2ccc(-c3nnn[n-]3)s2)C1=O ZINC000821897154 606826633 /nfs/dbraw/zinc/82/66/33/606826633.db2.gz DYBXYADVMUCUOV-LBPRGKRZSA-N -1 1 385.405 1.899 20 0 GDADMM COc1ccccc1N1CC[C@H](OC(=O)c2ccc(-c3nn[n-]n3)s2)C1=O ZINC000821897154 606826634 /nfs/dbraw/zinc/82/66/34/606826634.db2.gz DYBXYADVMUCUOV-LBPRGKRZSA-N -1 1 385.405 1.899 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)/C=C/C1CCCCC1 ZINC000820777287 606829829 /nfs/dbraw/zinc/82/98/29/606829829.db2.gz QRIZHHGOIKXISU-HSBSLETESA-N -1 1 382.472 1.830 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)/C=C/C1CCCCC1 ZINC000820777287 606829831 /nfs/dbraw/zinc/82/98/31/606829831.db2.gz QRIZHHGOIKXISU-HSBSLETESA-N -1 1 382.472 1.830 20 0 GDADMM CCc1ccc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cc1 ZINC000821487085 606831776 /nfs/dbraw/zinc/83/17/76/606831776.db2.gz QCHRDHQZIIFWML-ZDUSSCGKSA-N -1 1 393.455 1.962 20 0 GDADMM CCc1ccc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cc1 ZINC000821487085 606831777 /nfs/dbraw/zinc/83/17/77/606831777.db2.gz QCHRDHQZIIFWML-ZDUSSCGKSA-N -1 1 393.455 1.962 20 0 GDADMM Cc1ccc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cc1F ZINC000822248641 606832137 /nfs/dbraw/zinc/83/21/37/606832137.db2.gz HMSMMRSHSRRZJU-LBPRGKRZSA-N -1 1 397.418 1.847 20 0 GDADMM Cc1ccc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cc1F ZINC000822248641 606832139 /nfs/dbraw/zinc/83/21/39/606832139.db2.gz HMSMMRSHSRRZJU-LBPRGKRZSA-N -1 1 397.418 1.847 20 0 GDADMM Cc1ccc([C@@H]2COCCN2S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)o1 ZINC000822233102 606844145 /nfs/dbraw/zinc/84/41/45/606844145.db2.gz HYFXXEVRZXBXQP-ZDUSSCGKSA-N -1 1 393.400 1.669 20 0 GDADMM CCCC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000821002877 606844169 /nfs/dbraw/zinc/84/41/69/606844169.db2.gz ZSCQFNBXWUEFNX-LBPRGKRZSA-N -1 1 396.448 1.075 20 0 GDADMM CCOCCN1C(=O)N[C@@H](c2ccc(-c3nn[n-]n3)s2)C(C(=O)OC)=C1C ZINC000821378157 606849625 /nfs/dbraw/zinc/84/96/25/606849625.db2.gz KCAYZCSISHWMMD-ZDUSSCGKSA-N -1 1 392.441 1.478 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc(N(C)C)cc1 ZINC000820788532 606854873 /nfs/dbraw/zinc/85/48/73/606854873.db2.gz JHKMVOMVNVNYTM-ZDUSSCGKSA-N -1 1 393.455 1.074 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc(N(C)C)cc1 ZINC000820788532 606854874 /nfs/dbraw/zinc/85/48/74/606854874.db2.gz JHKMVOMVNVNYTM-ZDUSSCGKSA-N -1 1 393.455 1.074 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CC[C@H](Oc2ccccn2)C1 ZINC000823601059 606875488 /nfs/dbraw/zinc/87/54/88/606875488.db2.gz PJPQBZNEQXDUSS-LBPRGKRZSA-N -1 1 390.400 1.243 20 0 GDADMM Cc1oc(NC(=O)CN2CCN(c3cccs3)CC2)c(-c2nn[n-]n2)c1C ZINC000822549370 606882501 /nfs/dbraw/zinc/88/25/01/606882501.db2.gz XRKFGWHRZXGEDC-UHFFFAOYSA-N -1 1 387.469 1.899 20 0 GDADMM C[C@H]1CC[C@@H](C(=O)OCC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)O1 ZINC000820678801 606952366 /nfs/dbraw/zinc/95/23/66/606952366.db2.gz YNNPBQPQIYSHHZ-FZMZJTMJSA-N -1 1 397.395 1.102 20 0 GDADMM C[C@H]1CC[C@@H](C(=O)OCC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)O1 ZINC000820678801 606952367 /nfs/dbraw/zinc/95/23/67/606952367.db2.gz YNNPBQPQIYSHHZ-FZMZJTMJSA-N -1 1 397.395 1.102 20 0 GDADMM C[C@H]1CC[C@H](C(=O)OCC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)O1 ZINC000820678803 606952648 /nfs/dbraw/zinc/95/26/48/606952648.db2.gz YNNPBQPQIYSHHZ-SMDDNHRTSA-N -1 1 397.395 1.102 20 0 GDADMM C[C@H]1CC[C@H](C(=O)OCC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)O1 ZINC000820678803 606952650 /nfs/dbraw/zinc/95/26/50/606952650.db2.gz YNNPBQPQIYSHHZ-SMDDNHRTSA-N -1 1 397.395 1.102 20 0 GDADMM COC(=O)Nc1cc(C(=O)n2ncc(-c3nn[n-]n3)c2N)cc(C(F)(F)F)c1 ZINC000821664638 606967787 /nfs/dbraw/zinc/96/77/87/606967787.db2.gz CKZSFLBFZBNDFM-UHFFFAOYSA-N -1 1 396.289 1.531 20 0 GDADMM CCCS(=O)(=O)c1ccccc1C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000821138479 607023698 /nfs/dbraw/zinc/02/36/98/607023698.db2.gz ABVCLMAJRRZFSC-UHFFFAOYSA-N -1 1 378.439 1.759 20 0 GDADMM CCCS(=O)(=O)c1ccccc1C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000821138479 607023700 /nfs/dbraw/zinc/02/37/00/607023700.db2.gz ABVCLMAJRRZFSC-UHFFFAOYSA-N -1 1 378.439 1.759 20 0 GDADMM Nn1c(Sc2c3ccccc3nnc2-c2nn[n-]n2)nnc1C(F)(F)F ZINC000822912112 607028222 /nfs/dbraw/zinc/02/82/22/607028222.db2.gz NEABTNRVNXBQKB-UHFFFAOYSA-N -1 1 380.319 1.285 20 0 GDADMM Cc1nn(C)cc1[C@H]1CCCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000822496347 607051513 /nfs/dbraw/zinc/05/15/13/607051513.db2.gz KCDAOEJCVMYMRT-CYBMUJFWSA-N -1 1 391.432 1.574 20 0 GDADMM Cc1nn(C)cc1[C@H]1CCCN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000822496347 607051515 /nfs/dbraw/zinc/05/15/15/607051515.db2.gz KCDAOEJCVMYMRT-CYBMUJFWSA-N -1 1 391.432 1.574 20 0 GDADMM Cc1cc(Cl)ccc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000822202158 607062896 /nfs/dbraw/zinc/06/28/96/607062896.db2.gz NNBOQKIEVBGVDS-GFCCVEGCSA-N -1 1 398.858 1.969 20 0 GDADMM Cc1cc(Cl)ccc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000822202158 607062899 /nfs/dbraw/zinc/06/28/99/607062899.db2.gz NNBOQKIEVBGVDS-GFCCVEGCSA-N -1 1 398.858 1.969 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCN(Cc3cccc(F)c3)CC2)n1 ZINC000822608604 607070428 /nfs/dbraw/zinc/07/04/28/607070428.db2.gz DXLKXTVWBVWCLW-UHFFFAOYSA-N -1 1 385.407 1.089 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCN(Cc3cccc(F)c3)CC2)n1 ZINC000822608604 607070429 /nfs/dbraw/zinc/07/04/29/607070429.db2.gz DXLKXTVWBVWCLW-UHFFFAOYSA-N -1 1 385.407 1.089 20 0 GDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000823379879 607105199 /nfs/dbraw/zinc/10/51/99/607105199.db2.gz MLJDLMNSOTXXGG-UHFFFAOYSA-N -1 1 391.438 1.016 20 0 GDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000823379879 607105201 /nfs/dbraw/zinc/10/52/01/607105201.db2.gz MLJDLMNSOTXXGG-UHFFFAOYSA-N -1 1 391.438 1.016 20 0 GDADMM COc1ccc(-c2nc(S[C@H]3CCCNC3=O)[nH]c(=O)c2-c2nn[n-]n2)cc1 ZINC000821731461 607160702 /nfs/dbraw/zinc/16/07/02/607160702.db2.gz DKQFSORHUCQTGY-NSHDSACASA-N -1 1 399.436 1.409 20 0 GDADMM C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1cccc(Br)c1 ZINC000820334514 607206886 /nfs/dbraw/zinc/20/68/86/607206886.db2.gz MQYIRGBPNYVGKR-QMMMGPOBSA-N -1 1 377.206 1.098 20 0 GDADMM CN(Cc1ccccc1OC(F)(F)F)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821615834 607206300 /nfs/dbraw/zinc/20/63/00/607206300.db2.gz PZYNCTDZXGRCHT-UHFFFAOYSA-N -1 1 382.306 1.015 20 0 GDADMM CC(C)Oc1ccc(CC[C@H](C)NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000820254211 607208677 /nfs/dbraw/zinc/20/86/77/607208677.db2.gz NRNWJRFNQMCGDE-ZDUSSCGKSA-N -1 1 384.444 1.383 20 0 GDADMM Cc1sc(CCNC(=O)Cn2cnc(-c3nn[n-]n3)n2)nc1-c1ccccc1 ZINC000822553111 607218945 /nfs/dbraw/zinc/21/89/45/607218945.db2.gz IPDMUFBCVQMSLH-UHFFFAOYSA-N -1 1 395.452 1.249 20 0 GDADMM C[C@H]1CCN(C)c2ccccc2N1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820723134 607229861 /nfs/dbraw/zinc/22/98/61/607229861.db2.gz WOVUICYUFUROOM-LBPRGKRZSA-N -1 1 385.453 1.685 20 0 GDADMM C[C@H]1CCN(C)c2ccccc2N1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820723134 607229862 /nfs/dbraw/zinc/22/98/62/607229862.db2.gz WOVUICYUFUROOM-LBPRGKRZSA-N -1 1 385.453 1.685 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N(C)C[C@H]1CCC[C@H]1O ZINC000826327392 607863118 /nfs/dbraw/zinc/86/31/18/607863118.db2.gz GDQAJMIXBVRGOM-CZUORRHYSA-N -1 1 398.471 1.078 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N(C)C[C@H]1CCC[C@H]1O ZINC000826327392 607863119 /nfs/dbraw/zinc/86/31/19/607863119.db2.gz GDQAJMIXBVRGOM-CZUORRHYSA-N -1 1 398.471 1.078 20 0 GDADMM CS(=O)(=O)c1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826224202 607867815 /nfs/dbraw/zinc/86/78/15/607867815.db2.gz UJAFWPGNYMLLST-UHFFFAOYSA-N -1 1 398.397 1.177 20 0 GDADMM CS(=O)(=O)c1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826224202 607867816 /nfs/dbraw/zinc/86/78/16/607867816.db2.gz UJAFWPGNYMLLST-UHFFFAOYSA-N -1 1 398.397 1.177 20 0 GDADMM O=c1c(Br)nn(Cc2ccnc(-c3nnn[n-]3)c2)c2ccccc12 ZINC000826501240 607893634 /nfs/dbraw/zinc/89/36/34/607893634.db2.gz GQAJMGFIHWLPQC-UHFFFAOYSA-N -1 1 384.197 1.782 20 0 GDADMM O=c1c(Br)nn(Cc2ccnc(-c3nn[n-]n3)c2)c2ccccc12 ZINC000826501240 607893635 /nfs/dbraw/zinc/89/36/35/607893635.db2.gz GQAJMGFIHWLPQC-UHFFFAOYSA-N -1 1 384.197 1.782 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CC=C(C(F)(F)F)CC1 ZINC000826495123 607938308 /nfs/dbraw/zinc/93/83/08/607938308.db2.gz DGJGDUNEVKIKFK-UHFFFAOYSA-N -1 1 377.323 1.889 20 0 GDADMM CC(=O)N(Cc1noc(C(C)C)n1)[C@H]1CCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000823967561 607966848 /nfs/dbraw/zinc/96/68/48/607966848.db2.gz OCHMZMOLVHPLEL-ZDUSSCGKSA-N -1 1 397.443 1.396 20 0 GDADMM CC(=O)N(Cc1noc(C(C)C)n1)[C@H]1CCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000823967561 607966849 /nfs/dbraw/zinc/96/68/49/607966849.db2.gz OCHMZMOLVHPLEL-ZDUSSCGKSA-N -1 1 397.443 1.396 20 0 GDADMM CC(C)(C)OC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824099879 607972241 /nfs/dbraw/zinc/97/22/41/607972241.db2.gz LADWXJBAMJCOFU-CYBMUJFWSA-N -1 1 394.457 1.147 20 0 GDADMM CC(C)(C)OC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824099879 607972242 /nfs/dbraw/zinc/97/22/42/607972242.db2.gz LADWXJBAMJCOFU-CYBMUJFWSA-N -1 1 394.457 1.147 20 0 GDADMM O=C(NC1CC1)c1ccc(CN(c2ccc(-c3nnn[n-]3)nn2)C2CC2)cc1 ZINC000826429161 607989298 /nfs/dbraw/zinc/98/92/98/607989298.db2.gz VSTCSHCNSYMHFP-UHFFFAOYSA-N -1 1 376.424 1.718 20 0 GDADMM O=C(NC1CC1)c1ccc(CN(c2ccc(-c3nn[n-]n3)nn2)C2CC2)cc1 ZINC000826429161 607989299 /nfs/dbraw/zinc/98/92/99/607989299.db2.gz VSTCSHCNSYMHFP-UHFFFAOYSA-N -1 1 376.424 1.718 20 0 GDADMM Cc1ccc(C)n1-c1c(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cnn1C ZINC000826285290 607998856 /nfs/dbraw/zinc/99/88/56/607998856.db2.gz UYIRORCCNKNBOS-UHFFFAOYSA-N -1 1 378.396 1.966 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCSC[C@@H]1CCO ZINC000826495455 608001256 /nfs/dbraw/zinc/00/12/56/608001256.db2.gz PMRVRRDPQRJCQD-VIFPVBQESA-N -1 1 389.890 1.009 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCSC[C@@H]1CCO ZINC000826495455 608001257 /nfs/dbraw/zinc/00/12/57/608001257.db2.gz PMRVRRDPQRJCQD-VIFPVBQESA-N -1 1 389.890 1.009 20 0 GDADMM COc1cc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)sc1Br ZINC000826177455 608005961 /nfs/dbraw/zinc/00/59/61/608005961.db2.gz JEDDHMVNLCQKMB-UHFFFAOYSA-N -1 1 384.219 1.685 20 0 GDADMM COc1cc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)sc1Br ZINC000826177455 608005962 /nfs/dbraw/zinc/00/59/62/608005962.db2.gz JEDDHMVNLCQKMB-UHFFFAOYSA-N -1 1 384.219 1.685 20 0 GDADMM O=C(Cn1ccnc1-c1nnn[n-]1)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000826424751 608014734 /nfs/dbraw/zinc/01/47/34/608014734.db2.gz BAEHTSFFFYFCBH-LBPRGKRZSA-N -1 1 378.352 1.627 20 0 GDADMM O=C(Cn1ccnc1-c1nn[n-]n1)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000826424751 608014735 /nfs/dbraw/zinc/01/47/35/608014735.db2.gz BAEHTSFFFYFCBH-LBPRGKRZSA-N -1 1 378.352 1.627 20 0 GDADMM Cc1ccc(N2C[C@@H](C(=O)n3ncc(-c4nn[n-]n4)c3N)CCC2=O)cc1C ZINC000826289446 608026888 /nfs/dbraw/zinc/02/68/88/608026888.db2.gz AEFJUSXVGBSZFQ-LBPRGKRZSA-N -1 1 380.412 1.346 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000826472599 608075881 /nfs/dbraw/zinc/07/58/81/608075881.db2.gz PQFKZNYWMLNGQK-UHFFFAOYSA-N -1 1 394.464 1.763 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000826472599 608075882 /nfs/dbraw/zinc/07/58/82/608075882.db2.gz PQFKZNYWMLNGQK-UHFFFAOYSA-N -1 1 394.464 1.763 20 0 GDADMM Cc1nn(-c2ccccc2)c(COC(=O)c2cc[nH]c(=O)c2)c1-c1nn[n-]n1 ZINC000826333191 608104421 /nfs/dbraw/zinc/10/44/21/608104421.db2.gz XVCAROPOIRSNRM-UHFFFAOYSA-N -1 1 377.364 1.818 20 0 GDADMM C[C@H]1C[C@@H](C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)CCC1=O ZINC000824864542 608117326 /nfs/dbraw/zinc/11/73/26/608117326.db2.gz BUEBHXWCRQFZEW-AAEUAGOBSA-N -1 1 399.455 1.386 20 0 GDADMM O=S(=O)(N[C@@H]1COc2cc(F)cc(F)c21)c1cccc(F)c1-c1nnn[n-]1 ZINC000826489136 608127011 /nfs/dbraw/zinc/12/70/11/608127011.db2.gz IOHYXSKHLZRIHD-SNVBAGLBSA-N -1 1 397.338 1.696 20 0 GDADMM O=S(=O)(N[C@@H]1COc2cc(F)cc(F)c21)c1cccc(F)c1-c1nn[n-]n1 ZINC000826489136 608127012 /nfs/dbraw/zinc/12/70/12/608127012.db2.gz IOHYXSKHLZRIHD-SNVBAGLBSA-N -1 1 397.338 1.696 20 0 GDADMM CCc1nnc(COC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)s1 ZINC000825766572 608144802 /nfs/dbraw/zinc/14/48/02/608144802.db2.gz AXKHKLLZQDBBTE-UHFFFAOYSA-N -1 1 389.441 1.674 20 0 GDADMM O=C(c1ccc(F)cn1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000826473299 608146601 /nfs/dbraw/zinc/14/66/01/608146601.db2.gz RYYWBDXEIWNHJW-UHFFFAOYSA-N -1 1 384.375 1.229 20 0 GDADMM O=C(Cn1ccnc1-c1nnn[n-]1)NCCOc1ccc(C(F)(F)F)cc1 ZINC000826425082 608147465 /nfs/dbraw/zinc/14/74/65/608147465.db2.gz OVTGQSDCGRUOQS-UHFFFAOYSA-N -1 1 381.318 1.277 20 0 GDADMM O=C(Cn1ccnc1-c1nn[n-]n1)NCCOc1ccc(C(F)(F)F)cc1 ZINC000826425082 608147467 /nfs/dbraw/zinc/14/74/67/608147467.db2.gz OVTGQSDCGRUOQS-UHFFFAOYSA-N -1 1 381.318 1.277 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)Cc2cccc(OCc3cccnc3)c2)n1 ZINC000826356656 608160587 /nfs/dbraw/zinc/16/05/87/608160587.db2.gz AAFILNXNVKSPLJ-UHFFFAOYSA-N -1 1 390.407 1.755 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)Cc2cccc(OCc3cccnc3)c2)n1 ZINC000826356656 608160589 /nfs/dbraw/zinc/16/05/89/608160589.db2.gz AAFILNXNVKSPLJ-UHFFFAOYSA-N -1 1 390.407 1.755 20 0 GDADMM C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC000824763224 608173563 /nfs/dbraw/zinc/17/35/63/608173563.db2.gz LOULBXPWKNMQTK-SSDOTTSWSA-N -1 1 399.889 1.821 20 0 GDADMM C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC000824763224 608173565 /nfs/dbraw/zinc/17/35/65/608173565.db2.gz LOULBXPWKNMQTK-SSDOTTSWSA-N -1 1 399.889 1.821 20 0 GDADMM O=C(NCc1ccco1)[C@@H]1CCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000826443688 608176555 /nfs/dbraw/zinc/17/65/55/608176555.db2.gz ZHVSFKHSPKSJMG-VIFPVBQESA-N -1 1 379.833 1.855 20 0 GDADMM O=C(NCc1ccco1)[C@@H]1CCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000826443688 608176557 /nfs/dbraw/zinc/17/65/57/608176557.db2.gz ZHVSFKHSPKSJMG-VIFPVBQESA-N -1 1 379.833 1.855 20 0 GDADMM COCCNC(=O)[C@@H]1CC[C@H](C)N(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000826160335 608179589 /nfs/dbraw/zinc/17/95/89/608179589.db2.gz OQRYLGXDYBRGKZ-DTWKUNHWSA-N -1 1 385.881 1.344 20 0 GDADMM COCCNC(=O)[C@@H]1CC[C@H](C)N(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000826160335 608179591 /nfs/dbraw/zinc/17/95/91/608179591.db2.gz OQRYLGXDYBRGKZ-DTWKUNHWSA-N -1 1 385.881 1.344 20 0 GDADMM O=C(NCC1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1)c1ccccn1 ZINC000826435128 608195701 /nfs/dbraw/zinc/19/57/01/608195701.db2.gz HFYQMGCHYHMWSW-UHFFFAOYSA-N -1 1 397.464 1.605 20 0 GDADMM O=C(NCC1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1)c1ccccn1 ZINC000826435128 608195702 /nfs/dbraw/zinc/19/57/02/608195702.db2.gz HFYQMGCHYHMWSW-UHFFFAOYSA-N -1 1 397.464 1.605 20 0 GDADMM C[C@@H](CCOc1ccccc1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824406667 608210986 /nfs/dbraw/zinc/21/09/86/608210986.db2.gz PJUHEKNUWJLEFI-ZDUSSCGKSA-N -1 1 398.471 1.668 20 0 GDADMM C[C@@H](CCOc1ccccc1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824406667 608210987 /nfs/dbraw/zinc/21/09/87/608210987.db2.gz PJUHEKNUWJLEFI-ZDUSSCGKSA-N -1 1 398.471 1.668 20 0 GDADMM C[C@H]1CCC[C@@H](OCC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1 ZINC000824925084 608211066 /nfs/dbraw/zinc/21/10/66/608211066.db2.gz ALRWGRVGZPDJJI-NWDGAFQWSA-N -1 1 376.465 1.158 20 0 GDADMM C[C@H]1CCC[C@@H](OCC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C1 ZINC000824925084 608211067 /nfs/dbraw/zinc/21/10/67/608211067.db2.gz ALRWGRVGZPDJJI-NWDGAFQWSA-N -1 1 376.465 1.158 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CCCOCc1ccccc1 ZINC000825923548 608211338 /nfs/dbraw/zinc/21/13/38/608211338.db2.gz LXGRBCVJTMHHGS-UHFFFAOYSA-N -1 1 398.471 1.560 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CCCOCc1ccccc1 ZINC000825923548 608211340 /nfs/dbraw/zinc/21/13/40/608211340.db2.gz LXGRBCVJTMHHGS-UHFFFAOYSA-N -1 1 398.471 1.560 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000825929822 608212542 /nfs/dbraw/zinc/21/25/42/608212542.db2.gz KOBCSMLCXGZXNT-UHFFFAOYSA-N -1 1 397.418 1.426 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000825929822 608212544 /nfs/dbraw/zinc/21/25/44/608212544.db2.gz KOBCSMLCXGZXNT-UHFFFAOYSA-N -1 1 397.418 1.426 20 0 GDADMM C[C@@H]1CCCC[C@@H]1OCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824936045 608212786 /nfs/dbraw/zinc/21/27/86/608212786.db2.gz DOVJQBBOMMCPJS-YPMHNXCESA-N -1 1 376.465 1.158 20 0 GDADMM C[C@@H]1CCCC[C@@H]1OCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824936045 608212787 /nfs/dbraw/zinc/21/27/87/608212787.db2.gz DOVJQBBOMMCPJS-YPMHNXCESA-N -1 1 376.465 1.158 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cc2ccccc2n1C ZINC000825933781 608212906 /nfs/dbraw/zinc/21/29/06/608212906.db2.gz GCJAIQMHRWVIOS-UHFFFAOYSA-N -1 1 379.428 1.369 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cc2ccccc2n1C ZINC000825933781 608212907 /nfs/dbraw/zinc/21/29/07/608212907.db2.gz GCJAIQMHRWVIOS-UHFFFAOYSA-N -1 1 379.428 1.369 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000826495717 608306100 /nfs/dbraw/zinc/30/61/00/608306100.db2.gz YWUYCZKNMOOADS-CHWSQXEVSA-N -1 1 395.460 1.833 20 0 GDADMM Cc1nn(-c2ccccc2)c(CN2CCN(C(=O)N(C)C)CC2)c1-c1nn[n-]n1 ZINC000826332224 608309051 /nfs/dbraw/zinc/30/90/51/608309051.db2.gz NFQDNQKIDCGOKQ-UHFFFAOYSA-N -1 1 395.471 1.160 20 0 GDADMM Cc1nnc(COC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)s1 ZINC000826335195 608319180 /nfs/dbraw/zinc/31/91/80/608319180.db2.gz CIBKVIUNKDTTIA-UHFFFAOYSA-N -1 1 399.440 1.362 20 0 GDADMM Cc1nnc(COC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)s1 ZINC000826335195 608319181 /nfs/dbraw/zinc/31/91/81/608319181.db2.gz CIBKVIUNKDTTIA-UHFFFAOYSA-N -1 1 399.440 1.362 20 0 GDADMM CCC[C@@H]1C(=O)NCCN1Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000825248751 608320253 /nfs/dbraw/zinc/32/02/53/608320253.db2.gz XXCPYVGDZCRIPW-OAHLLOKOSA-N -1 1 380.456 1.461 20 0 GDADMM COCCCOCCN(C)C(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000826156643 608336383 /nfs/dbraw/zinc/33/63/83/608336383.db2.gz NKLLCGQHCJTRDY-UHFFFAOYSA-N -1 1 388.428 1.684 20 0 GDADMM COCCCOCCN(C)C(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000826156643 608336385 /nfs/dbraw/zinc/33/63/85/608336385.db2.gz NKLLCGQHCJTRDY-UHFFFAOYSA-N -1 1 388.428 1.684 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCc2ccc(F)cc2)n1 ZINC000824148502 608338615 /nfs/dbraw/zinc/33/86/15/608338615.db2.gz XKTJJOSMOAJBJN-UHFFFAOYSA-N -1 1 386.391 1.212 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCc2ccc(F)cc2)n1 ZINC000824148502 608338617 /nfs/dbraw/zinc/33/86/17/608338617.db2.gz XKTJJOSMOAJBJN-UHFFFAOYSA-N -1 1 386.391 1.212 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCCC2CCCCC2)n1 ZINC000824148561 608340467 /nfs/dbraw/zinc/34/04/67/608340467.db2.gz ZWVDYAFBWJZWNS-UHFFFAOYSA-N -1 1 388.476 1.843 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCCC2CCCCC2)n1 ZINC000824148561 608340469 /nfs/dbraw/zinc/34/04/69/608340469.db2.gz ZWVDYAFBWJZWNS-UHFFFAOYSA-N -1 1 388.476 1.843 20 0 GDADMM CC(C)(C)c1cc(NC(=O)CN2CCC(=O)NC2=O)c(-c2nnn[n-]2)s1 ZINC000824131232 608349664 /nfs/dbraw/zinc/34/96/64/608349664.db2.gz XXVOOIBWZJYCCI-UHFFFAOYSA-N -1 1 377.430 1.106 20 0 GDADMM CC(C)(C)c1cc(NC(=O)CN2CCC(=O)NC2=O)c(-c2nn[n-]n2)s1 ZINC000824131232 608349666 /nfs/dbraw/zinc/34/96/66/608349666.db2.gz XXVOOIBWZJYCCI-UHFFFAOYSA-N -1 1 377.430 1.106 20 0 GDADMM C[C@H]1CCC[C@H](C)N(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000824929996 608355093 /nfs/dbraw/zinc/35/50/93/608355093.db2.gz ZCSYKYJJZIVSRY-RYUDHWBXSA-N -1 1 388.476 1.794 20 0 GDADMM C[C@H]1CCC[C@H](C)N(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000824929996 608355095 /nfs/dbraw/zinc/35/50/95/608355095.db2.gz ZCSYKYJJZIVSRY-RYUDHWBXSA-N -1 1 388.476 1.794 20 0 GDADMM CS[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000826227939 608355239 /nfs/dbraw/zinc/35/52/39/608355239.db2.gz ZSVRFEUIMQYRKY-NXEZZACHSA-N -1 1 392.489 1.157 20 0 GDADMM CS[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000826227939 608355241 /nfs/dbraw/zinc/35/52/41/608355241.db2.gz ZSVRFEUIMQYRKY-NXEZZACHSA-N -1 1 392.489 1.157 20 0 GDADMM CCCn1cc(C(=O)OCc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)nn1 ZINC000825357094 608380460 /nfs/dbraw/zinc/38/04/60/608380460.db2.gz XYOUVZRQYFLBLE-UHFFFAOYSA-N -1 1 393.411 1.719 20 0 GDADMM CC(=O)c1cccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000824029351 608407188 /nfs/dbraw/zinc/40/71/88/608407188.db2.gz IXKRKUMXVKCPCT-UHFFFAOYSA-N -1 1 383.416 1.471 20 0 GDADMM CC(=O)c1cccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000824029351 608407190 /nfs/dbraw/zinc/40/71/90/608407190.db2.gz IXKRKUMXVKCPCT-UHFFFAOYSA-N -1 1 383.416 1.471 20 0 GDADMM Cn1cnnc1[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826365454 608446674 /nfs/dbraw/zinc/44/66/74/608446674.db2.gz OSOVJNICQBKOEP-NSHDSACASA-N -1 1 394.848 1.174 20 0 GDADMM O=S(=O)(c1ccc(F)cc1)N1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000826495626 608498776 /nfs/dbraw/zinc/49/87/76/608498776.db2.gz VFFISTFGPIRBDO-UHFFFAOYSA-N -1 1 392.416 1.105 20 0 GDADMM O=S(=O)(c1ccc(F)cc1)N1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000826495626 608498777 /nfs/dbraw/zinc/49/87/77/608498777.db2.gz VFFISTFGPIRBDO-UHFFFAOYSA-N -1 1 392.416 1.105 20 0 GDADMM COc1cc(F)ccc1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826180409 608548991 /nfs/dbraw/zinc/54/89/91/608548991.db2.gz GPSAVHLFEKLFCD-UHFFFAOYSA-N -1 1 389.395 1.416 20 0 GDADMM COc1cc(F)ccc1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826180409 608548993 /nfs/dbraw/zinc/54/89/93/608548993.db2.gz GPSAVHLFEKLFCD-UHFFFAOYSA-N -1 1 389.395 1.416 20 0 GDADMM Cc1nc2cc(NC(=O)N(C)CCCc3[nH]nc(N)c3-c3nnn[n-]3)ccc2o1 ZINC000826328619 608549786 /nfs/dbraw/zinc/54/97/86/608549786.db2.gz XNRMTPRQHBQFCN-UHFFFAOYSA-N -1 1 396.415 1.718 20 0 GDADMM Cc1nc2cc(NC(=O)N(C)CCCc3[nH]nc(N)c3-c3nn[n-]n3)ccc2o1 ZINC000826328619 608549787 /nfs/dbraw/zinc/54/97/87/608549787.db2.gz XNRMTPRQHBQFCN-UHFFFAOYSA-N -1 1 396.415 1.718 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Cc1ccc(F)cc1F ZINC000825930116 608555276 /nfs/dbraw/zinc/55/52/76/608555276.db2.gz PVZVBCXQQLRYOH-UHFFFAOYSA-N -1 1 376.371 1.084 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Cc1ccc(F)cc1F ZINC000825930116 608555277 /nfs/dbraw/zinc/55/52/77/608555277.db2.gz PVZVBCXQQLRYOH-UHFFFAOYSA-N -1 1 376.371 1.084 20 0 GDADMM COc1ccccc1C(C)(C)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826218774 608558811 /nfs/dbraw/zinc/55/88/11/608558811.db2.gz KQYMCHBMNAVTSX-UHFFFAOYSA-N -1 1 398.471 1.549 20 0 GDADMM COc1ccccc1C(C)(C)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826218774 608558812 /nfs/dbraw/zinc/55/88/12/608558812.db2.gz KQYMCHBMNAVTSX-UHFFFAOYSA-N -1 1 398.471 1.549 20 0 GDADMM Nc1c(Br)nccc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826395857 608565389 /nfs/dbraw/zinc/56/53/89/608565389.db2.gz VNUOMMGDEKTWIG-UHFFFAOYSA-N -1 1 376.174 1.358 20 0 GDADMM Nc1c(Br)nccc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826395857 608565391 /nfs/dbraw/zinc/56/53/91/608565391.db2.gz VNUOMMGDEKTWIG-UHFFFAOYSA-N -1 1 376.174 1.358 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCc2cc(F)ccc2C1 ZINC000826496035 608565572 /nfs/dbraw/zinc/56/55/72/608565572.db2.gz JANWCJIYBXSGGX-UHFFFAOYSA-N -1 1 377.376 1.892 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCc2cc(F)ccc2C1 ZINC000826496035 608565574 /nfs/dbraw/zinc/56/55/74/608565574.db2.gz JANWCJIYBXSGGX-UHFFFAOYSA-N -1 1 377.376 1.892 20 0 GDADMM COc1ccc(C(=O)N2CCN(Cc3ccc(-c4nnn[n-]4)o3)CC2)c(OC)c1 ZINC000826187112 608612944 /nfs/dbraw/zinc/61/29/44/608612944.db2.gz AKMQALJTAUEBGP-UHFFFAOYSA-N -1 1 398.423 1.435 20 0 GDADMM COc1ccc(C(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)o3)CC2)c(OC)c1 ZINC000826187112 608612945 /nfs/dbraw/zinc/61/29/45/608612945.db2.gz AKMQALJTAUEBGP-UHFFFAOYSA-N -1 1 398.423 1.435 20 0 GDADMM CCc1cnc(C[N-]S(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)o1 ZINC000530538958 649978634 /nfs/dbraw/zinc/97/86/34/649978634.db2.gz DCZXWELGNYRKAB-UHFFFAOYSA-N -1 1 385.467 1.156 20 0 GDADMM CCN(C[C@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1)c1cccnn1 ZINC000825419229 608739606 /nfs/dbraw/zinc/73/96/06/608739606.db2.gz LVXPTHTZBRNYME-CYBMUJFWSA-N -1 1 386.485 1.446 20 0 GDADMM COc1cc(F)cc(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000826180227 608757396 /nfs/dbraw/zinc/75/73/96/608757396.db2.gz YKJBWUMGRDHEFC-UHFFFAOYSA-N -1 1 381.364 1.632 20 0 GDADMM COc1ccc(F)c(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000826209100 609159695 /nfs/dbraw/zinc/15/96/95/609159695.db2.gz MNDQMHCOZWXMSM-UHFFFAOYSA-N -1 1 389.395 1.416 20 0 GDADMM COc1ccc(F)c(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000826209100 609159697 /nfs/dbraw/zinc/15/96/97/609159697.db2.gz MNDQMHCOZWXMSM-UHFFFAOYSA-N -1 1 389.395 1.416 20 0 GDADMM CCn1nc(C)c(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1C ZINC000825806700 609162393 /nfs/dbraw/zinc/16/23/93/609162393.db2.gz AEQUFZIAQZFPPE-UHFFFAOYSA-N -1 1 387.452 1.102 20 0 GDADMM CCn1nc(C)c(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1C ZINC000825806700 609162395 /nfs/dbraw/zinc/16/23/95/609162395.db2.gz AEQUFZIAQZFPPE-UHFFFAOYSA-N -1 1 387.452 1.102 20 0 GDADMM O=C(CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)NCC(F)(F)F ZINC000826414017 609279497 /nfs/dbraw/zinc/27/94/97/609279497.db2.gz ACDMQPIDTZGIFG-UHFFFAOYSA-N -1 1 384.297 1.282 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H](C)c1cncc(F)c1 ZINC000826233195 609286687 /nfs/dbraw/zinc/28/66/87/609286687.db2.gz XJWYTSJAHOOZBY-JTQLQIEISA-N -1 1 385.403 1.928 20 0 GDADMM COc1ccc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cn1 ZINC000826187540 609288645 /nfs/dbraw/zinc/28/86/45/609288645.db2.gz VKRUNDQOUHKVLT-UHFFFAOYSA-N -1 1 380.343 1.847 20 0 GDADMM CC(C)(C)[C@H]1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C[C@H]1O ZINC000824078306 609292925 /nfs/dbraw/zinc/29/29/25/609292925.db2.gz HXZZXKRDCVPENP-GXTWGEPZSA-N -1 1 383.449 1.423 20 0 GDADMM O=C(COCC(F)(F)F)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826416662 609292977 /nfs/dbraw/zinc/29/29/77/609292977.db2.gz JMFQOPRCUHKMIJ-UHFFFAOYSA-N -1 1 385.281 1.709 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCCc1ccsc1 ZINC000825930131 609299272 /nfs/dbraw/zinc/29/92/72/609299272.db2.gz QBDFZSINSZBZBD-UHFFFAOYSA-N -1 1 375.462 1.050 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCCc1ccsc1 ZINC000825930131 609299273 /nfs/dbraw/zinc/29/92/73/609299273.db2.gz QBDFZSINSZBZBD-UHFFFAOYSA-N -1 1 375.462 1.050 20 0 GDADMM CC(C)[C@@H]1CCCC[C@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824217041 609301714 /nfs/dbraw/zinc/30/17/14/609301714.db2.gz XMBNFEVWWWYOQJ-QWHCGFSZSA-N -1 1 389.508 1.961 20 0 GDADMM CC(C)[C@@H]1CCCC[C@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824217041 609301716 /nfs/dbraw/zinc/30/17/16/609301716.db2.gz XMBNFEVWWWYOQJ-QWHCGFSZSA-N -1 1 389.508 1.961 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@@H]1CSc2ccccc21 ZINC000825930744 609302861 /nfs/dbraw/zinc/30/28/61/609302861.db2.gz XVTRFFZXGXDHKX-GFCCVEGCSA-N -1 1 399.484 1.593 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@@H]1CSc2ccccc21 ZINC000825930744 609302863 /nfs/dbraw/zinc/30/28/63/609302863.db2.gz XVTRFFZXGXDHKX-GFCCVEGCSA-N -1 1 399.484 1.593 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCC1Cc2ccccc2C1 ZINC000825930363 609303032 /nfs/dbraw/zinc/30/30/32/609303032.db2.gz UQMQQPDLMPDBAE-UHFFFAOYSA-N -1 1 395.471 1.161 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCC1Cc2ccccc2C1 ZINC000825930363 609303035 /nfs/dbraw/zinc/30/30/35/609303035.db2.gz UQMQQPDLMPDBAE-UHFFFAOYSA-N -1 1 395.471 1.161 20 0 GDADMM CC(C)(C)C(=O)NCC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824065335 609312358 /nfs/dbraw/zinc/31/23/58/609312358.db2.gz XKJFXRUHDCKDAK-UHFFFAOYSA-N -1 1 386.391 1.292 20 0 GDADMM COC(=O)[C@H]1CCCCCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826134591 609318172 /nfs/dbraw/zinc/31/81/72/609318172.db2.gz YZHZYLKKLKXUNT-LLVKDONJSA-N -1 1 383.405 1.112 20 0 GDADMM COC(=O)[C@H]1CCCCCN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826134591 609318174 /nfs/dbraw/zinc/31/81/74/609318174.db2.gz YZHZYLKKLKXUNT-LLVKDONJSA-N -1 1 383.405 1.112 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC[C@@H](OC(F)F)C1 ZINC000826495809 609318834 /nfs/dbraw/zinc/31/88/34/609318834.db2.gz CGWRZRBLZWUARH-MRVPVSSYSA-N -1 1 377.348 1.398 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC[C@@H](OC(F)F)C1 ZINC000826495809 609318836 /nfs/dbraw/zinc/31/88/36/609318836.db2.gz CGWRZRBLZWUARH-MRVPVSSYSA-N -1 1 377.348 1.398 20 0 GDADMM O=S(=O)(N[C@H]1CCCOc2c(F)cccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000826488822 609334709 /nfs/dbraw/zinc/33/47/09/609334709.db2.gz ZSKFQEOWDBCXEQ-ZDUSSCGKSA-N -1 1 390.400 1.593 20 0 GDADMM O=S(=O)(N[C@H]1CCCOc2c(F)cccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000826488822 609334710 /nfs/dbraw/zinc/33/47/10/609334710.db2.gz ZSKFQEOWDBCXEQ-ZDUSSCGKSA-N -1 1 390.400 1.593 20 0 GDADMM C[C@H](CNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C1CC1 ZINC000824420535 609355367 /nfs/dbraw/zinc/35/53/67/609355367.db2.gz MBCQYQKYNQATCU-SNVBAGLBSA-N -1 1 398.402 1.292 20 0 GDADMM COC(=O)[C@H](C)CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826103171 609358876 /nfs/dbraw/zinc/35/88/76/609358876.db2.gz DNEWLTXOCUEVBG-SECBINFHSA-N -1 1 388.363 1.122 20 0 GDADMM O=C(NCCCCCCO)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826436517 609362390 /nfs/dbraw/zinc/36/23/90/609362390.db2.gz WMVZOTXIHURRNI-UHFFFAOYSA-N -1 1 388.407 1.866 20 0 GDADMM C[C@@H]1C[C@H](C)CN1C(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824874280 609365673 /nfs/dbraw/zinc/36/56/73/609365673.db2.gz BQFZKGAEHQIAAY-WDEREUQCSA-N -1 1 398.402 1.387 20 0 GDADMM CC(=O)NCCN(Cc1ccc(-c2nnn[n-]2)o1)[C@@H](C)C(=O)OC(C)(C)C ZINC000823994224 609367559 /nfs/dbraw/zinc/36/75/59/609367559.db2.gz DPSGSVKHLHAKRP-NSHDSACASA-N -1 1 378.433 1.128 20 0 GDADMM CC(=O)NCCN(Cc1ccc(-c2nn[n-]n2)o1)[C@@H](C)C(=O)OC(C)(C)C ZINC000823994224 609367561 /nfs/dbraw/zinc/36/75/61/609367561.db2.gz DPSGSVKHLHAKRP-NSHDSACASA-N -1 1 378.433 1.128 20 0 GDADMM O=S(=O)(Nc1ccccc1)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826493197 609368077 /nfs/dbraw/zinc/36/80/77/609368077.db2.gz XUPCMRXDSNODRG-ZDUSSCGKSA-N -1 1 386.441 1.067 20 0 GDADMM O=S(=O)(Nc1ccccc1)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826493197 609368080 /nfs/dbraw/zinc/36/80/80/609368080.db2.gz XUPCMRXDSNODRG-ZDUSSCGKSA-N -1 1 386.441 1.067 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@@H](CO)c2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000826229592 609406112 /nfs/dbraw/zinc/40/61/12/609406112.db2.gz JWVLEFDJNZTPBM-LBPRGKRZSA-N -1 1 390.400 1.292 20 0 GDADMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)cc1-n1cnnn1 ZINC000826291464 609449459 /nfs/dbraw/zinc/44/94/59/609449459.db2.gz HRIKSKWTIDNRCJ-UHFFFAOYSA-N -1 1 397.424 1.260 20 0 GDADMM Cc1onc(CC(=O)Nc2nnc(C=Cc3ccco3)s2)c1-c1nnn[n-]1 ZINC000826349337 609469229 /nfs/dbraw/zinc/46/92/29/609469229.db2.gz FFASXFMKXUWOTQ-PLNGDYQASA-N -1 1 384.381 1.959 20 0 GDADMM Cc1onc(CC(=O)Nc2nnc(C=Cc3ccco3)s2)c1-c1nn[n-]n1 ZINC000826349337 609469231 /nfs/dbraw/zinc/46/92/31/609469231.db2.gz FFASXFMKXUWOTQ-PLNGDYQASA-N -1 1 384.381 1.959 20 0 GDADMM Cc1ccncc1C=CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000826315946 609506827 /nfs/dbraw/zinc/50/68/27/609506827.db2.gz ZAIPKTHLPHMKPW-XGACYXMMSA-N -1 1 391.439 1.111 20 0 GDADMM Cc1ccncc1C=CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000826315946 609506828 /nfs/dbraw/zinc/50/68/28/609506828.db2.gz ZAIPKTHLPHMKPW-XGACYXMMSA-N -1 1 391.439 1.111 20 0 GDADMM COCC[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccco1 ZINC000826155201 609583152 /nfs/dbraw/zinc/58/31/52/609583152.db2.gz JOFSVVMUPGKJLI-LLVKDONJSA-N -1 1 381.389 1.655 20 0 GDADMM COCC[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccco1 ZINC000826155201 609583153 /nfs/dbraw/zinc/58/31/53/609583153.db2.gz JOFSVVMUPGKJLI-LLVKDONJSA-N -1 1 381.389 1.655 20 0 GDADMM COc1cccc(N2C[C@H]([N-]S(=O)(=O)c3nc(C)c(C)s3)CC2=O)c1 ZINC000532495641 650025404 /nfs/dbraw/zinc/02/54/04/650025404.db2.gz FPRFINIZTGTFQW-GFCCVEGCSA-N -1 1 381.479 1.852 20 0 GDADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccn(CC(F)(F)F)c2=O)co1 ZINC000534413573 650220724 /nfs/dbraw/zinc/22/07/24/650220724.db2.gz LKRFTNPRAHZIDK-UHFFFAOYSA-N -1 1 379.316 1.164 20 0 GDADMM C[N-]S(=O)(=O)c1cc(C(=O)N(C)CC(=O)Nc2cccc(Cl)c2)co1 ZINC000535136840 650242463 /nfs/dbraw/zinc/24/24/63/650242463.db2.gz FHGPTGZTWNXEIH-UHFFFAOYSA-N -1 1 385.829 1.552 20 0 GDADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCCSC)c(OC)c1 ZINC000535583579 650250321 /nfs/dbraw/zinc/25/03/21/650250321.db2.gz ZJIPHMVWRJQYGW-UHFFFAOYSA-N -1 1 396.556 1.878 20 0 GDADMM COC(=O)[C@@H](C[N-]S(=O)(=O)c1nc(C)c(C)s1)Oc1ccc(F)cc1 ZINC000536154120 650265732 /nfs/dbraw/zinc/26/57/32/650265732.db2.gz DQUPSMKVTFNRAJ-CYBMUJFWSA-N -1 1 388.442 1.798 20 0 GDADMM NS(=O)(=O)c1cc(F)cc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)c1 ZINC000536655357 650276619 /nfs/dbraw/zinc/27/66/19/650276619.db2.gz OBEMKSBBYKOVHY-UHFFFAOYSA-N -1 1 386.426 1.599 20 0 GDADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)CNC(=O)c2cccc(Cl)c2)c1 ZINC000537502283 650293541 /nfs/dbraw/zinc/29/35/41/650293541.db2.gz XEBRWSXFJMMRMV-UHFFFAOYSA-N -1 1 383.813 1.062 20 0 GDADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)CSCC(=O)c2ccccc2)c1 ZINC000540051601 650348234 /nfs/dbraw/zinc/34/82/34/650348234.db2.gz PJTQADVKMSQFRY-UHFFFAOYSA-N -1 1 380.447 1.594 20 0 GDADMM CCCCN(C(=O)CSc1nc(C)c(C)c(=O)[n-]1)[C@@H]1CCS(=O)(=O)C1 ZINC000540716321 650368784 /nfs/dbraw/zinc/36/87/84/650368784.db2.gz JSQOGJFUMAGZOQ-CYBMUJFWSA-N -1 1 387.527 1.707 20 0 GDADMM COC(=O)CC1([N-]S(=O)(=O)c2ccc(Br)o2)CCOCC1 ZINC000544714676 650445131 /nfs/dbraw/zinc/44/51/31/650445131.db2.gz NANMFNWJMJDVBI-UHFFFAOYSA-N -1 1 382.232 1.433 20 0 GDADMM CCOC(=O)[C@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)C[C@@H](C)C(=O)OC ZINC000544708361 650445136 /nfs/dbraw/zinc/44/51/36/650445136.db2.gz UWEHOCDGQHCLKD-RISCZKNCSA-N -1 1 391.873 1.543 20 0 GDADMM O=C(NCc1nnc2ccccn21)c1ccc(I)c([O-])c1 ZINC000544831951 650446477 /nfs/dbraw/zinc/44/64/77/650446477.db2.gz MJYOWZNFXQBAMQ-UHFFFAOYSA-N -1 1 394.172 1.970 20 0 GDADMM C[C@H]1CN(CCNC(=O)c2ccc(I)c([O-])c2)CCO1 ZINC000546192713 650473727 /nfs/dbraw/zinc/47/37/27/650473727.db2.gz JTEUBEATERIXNO-JTQLQIEISA-N -1 1 390.221 1.447 20 0 GDADMM O=C([O-])[C@H](Cc1cnc[nH]1)NS(=O)(=O)Cc1ccccc1Br ZINC000548767962 650563060 /nfs/dbraw/zinc/56/30/60/650563060.db2.gz 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/nfs/dbraw/zinc/90/65/28/657906528.db2.gz VXQMAMVSUZNUEH-NSHDSACASA-N -1 1 389.189 1.974 20 0 GDADMM Cn1ncc(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)c1I ZINC000891613891 658255639 /nfs/dbraw/zinc/25/56/39/658255639.db2.gz JWFSRJGAJJTUQZ-UHFFFAOYSA-N -1 1 399.192 1.651 20 0 GDADMM Cc1ncc(I)c(N2CCC[C@H](c3n[n-]c(=O)o3)C2)n1 ZINC000893666547 658432768 /nfs/dbraw/zinc/43/27/68/658432768.db2.gz TYRPVMVFTIGUSN-QMMMGPOBSA-N -1 1 387.181 1.862 20 0 GDADMM CN(C)S(=O)(=O)C1(CNC(=O)c2cc(Br)ccc2[O-])CC1 ZINC000894560268 658581982 /nfs/dbraw/zinc/58/19/82/658581982.db2.gz UXABVBMAMCGLAY-UHFFFAOYSA-N -1 1 377.260 1.309 20 0 GDADMM O=C(c1ccc(I)c([O-])c1)N1CCN(c2nc[nH]n2)CC1 ZINC000898320211 658926107 /nfs/dbraw/zinc/92/61/07/658926107.db2.gz KVLHZWPUAJRGGT-UHFFFAOYSA-N -1 1 399.192 1.077 20 0 GDADMM O=C(COC(=O)[C@H]1CSCCS1)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000899053829 658979345 /nfs/dbraw/zinc/97/93/45/658979345.db2.gz SYKQXTMDLXMZBL-LLVKDONJSA-N -1 1 391.417 1.936 20 0 GDADMM CN(C)S(=O)(=O)C1(CNC(=O)c2ccc(Br)cc2[O-])CC1 ZINC000899468042 659016993 /nfs/dbraw/zinc/01/69/93/659016993.db2.gz DLQGNWOBKISAOV-UHFFFAOYSA-N -1 1 377.260 1.309 20 0 GDADMM O=C(N[C@H]1CCCN2CCSC[C@H]12)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000900515389 659117151 /nfs/dbraw/zinc/11/71/51/659117151.db2.gz SDGIFJFSYSRIET-GXTWGEPZSA-N -1 1 376.507 1.934 20 0 GDADMM CN[C@@H](C(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1cnn(C)c1 ZINC000901016221 659180476 /nfs/dbraw/zinc/18/04/76/659180476.db2.gz VFUIONPMDNEHPQ-SECBINFHSA-N -1 1 383.282 1.554 20 0 GDADMM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cnc(I)c(O)c1 ZINC000901654437 659225937 /nfs/dbraw/zinc/22/59/37/659225937.db2.gz JEVMGKMHASTLJH-YUMQZZPRSA-N -1 1 390.177 1.717 20 0 GDADMM CCOC(=O)[C@](C)([N-]S(=O)(=O)c1c(C(F)F)c(C)nn1C)C(F)(F)F ZINC000903230069 659308271 /nfs/dbraw/zinc/30/82/71/659308271.db2.gz UOROCKPUGNQDPL-NSHDSACASA-N -1 1 393.334 1.829 20 0 GDADMM O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1CCOC1CCSCC1 ZINC000903707202 659377087 /nfs/dbraw/zinc/37/70/87/659377087.db2.gz SRCPTBOVQSJEFG-NWDGAFQWSA-N -1 1 384.420 1.495 20 0 GDADMM CS[C@@H]1CN(S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)C[C@@H]1N1CCCC1 ZINC000906935673 659622392 /nfs/dbraw/zinc/62/23/92/659622392.db2.gz TVJKOHWVDVUIHJ-DZGCQCFKSA-N -1 1 386.495 1.291 20 0 GDADMM CC[C@H](CO)NS(=O)(=O)c1ccc(CCC[N-]C(=O)C(F)(F)F)cc1 ZINC000906962070 659629061 /nfs/dbraw/zinc/62/90/61/659629061.db2.gz AXGGYCNMXYUBBV-GFCCVEGCSA-N -1 1 382.404 1.347 20 0 GDADMM O=C([N-]CCCc1ccc(S(=O)(=O)N[C@@H]2CC[C@H]2O)cc1)C(F)(F)F ZINC000907252385 659710273 /nfs/dbraw/zinc/71/02/73/659710273.db2.gz CAJUMFUZNRZKKV-CHWSQXEVSA-N -1 1 380.388 1.099 20 0 GDADMM NC(=O)c1cc(S(=O)(=O)[N-]C(CF)CF)c(Br)cc1F ZINC000907395827 659745573 /nfs/dbraw/zinc/74/55/73/659745573.db2.gz CKAODBNDGONJLV-UHFFFAOYSA-N -1 1 375.166 1.273 20 0 GDADMM O=C([C@@H](O)c1cccc(Br)c1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907478433 659759965 /nfs/dbraw/zinc/75/99/65/659759965.db2.gz VIWTYAICPLVJNK-QWRGUYRKSA-N -1 1 384.259 1.312 20 0 GDADMM COC(=O)[C@H]1C[C@@H]2C[C@H]([N-]S(=O)(=O)c3ccc(Br)o3)[C@@H]2C1 ZINC000907681017 659806879 /nfs/dbraw/zinc/80/68/79/659806879.db2.gz HZUMWUGLCQJXKA-RGOKHQFPSA-N -1 1 378.244 1.908 20 0 GDADMM COc1nn(C)cc1C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000908061498 659862660 /nfs/dbraw/zinc/86/26/60/659862660.db2.gz BYHRGUCBGYEQMK-UHFFFAOYSA-N -1 1 396.213 1.948 20 0 GDADMM COc1nn(C)cc1C[N-]S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F ZINC000908073862 659864944 /nfs/dbraw/zinc/86/49/44/659864944.db2.gz PFTCKDCVPHYIAO-UHFFFAOYSA-N -1 1 384.767 1.974 20 0 GDADMM CC(C)(C)OC(=O)NC[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)nc2F)C1 ZINC000908174319 659878979 /nfs/dbraw/zinc/87/89/79/659878979.db2.gz BFOLLMDJRZPLIH-MGCOHNPYSA-N -1 1 377.413 1.941 20 0 GDADMM CN(C)[S@@](=O)(=NS(=O)(=O)[N-][C@@H]1CCOC12CCCC2)c1ccccc1 ZINC000908193328 659880490 /nfs/dbraw/zinc/88/04/90/659880490.db2.gz VECHMXDRNQLVAF-MYYSRTQBSA-N -1 1 387.527 1.926 20 0 GDADMM O=C1C[C@]2([N-]S(=O)(=O)c3sccc3Br)CCCC[C@@H]2N1 ZINC000908469206 659920673 /nfs/dbraw/zinc/92/06/73/659920673.db2.gz MLCGKSXOHIJEEX-JOYOIKCWSA-N -1 1 379.301 1.990 20 0 GDADMM CCN1CCN(CC(=O)N(CC(=O)[O-])Cc2cccc(Br)c2)CC1 ZINC000909806553 659955195 /nfs/dbraw/zinc/95/51/95/659955195.db2.gz PCSALFNIHGNNFD-UHFFFAOYSA-N -1 1 398.301 1.500 20 0 GDADMM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1cnc(I)c(O)c1 ZINC000909808708 659955437 /nfs/dbraw/zinc/95/54/37/659955437.db2.gz JIKIHSCLWLIRQD-SVRRBLITSA-N -1 1 376.150 1.327 20 0 GDADMM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2cnc(I)c(O)c2)C1 ZINC000909843344 659956358 /nfs/dbraw/zinc/95/63/58/659956358.db2.gz TWJDTVWMKAGJJM-CYBMUJFWSA-N -1 1 390.177 1.719 20 0 GDADMM O=C([O-])[C@@H]1CN(C(=O)CCc2c[nH]nn2)C[C@H]1c1ccc(Br)cc1 ZINC000909850612 659956563 /nfs/dbraw/zinc/95/65/63/659956563.db2.gz GQYFURDDXZBEFF-UONOGXRCSA-N -1 1 393.241 1.827 20 0 GDADMM O=C([O-])[C@@H]1CN(C(=O)CCc2cnn[nH]2)C[C@H]1c1ccc(Br)cc1 ZINC000909850612 659956564 /nfs/dbraw/zinc/95/65/64/659956564.db2.gz GQYFURDDXZBEFF-UONOGXRCSA-N -1 1 393.241 1.827 20 0 GDADMM O=C(COC(=O)c1cc(Cl)cc(Cl)c1[O-])NCCCN1CCCC1=O ZINC000909862496 659957376 /nfs/dbraw/zinc/95/73/76/659957376.db2.gz FJSOGAQBRIODSA-UHFFFAOYSA-N -1 1 389.235 1.985 20 0 GDADMM O=C([O-])c1cc(Br)cc(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)c1 ZINC000910687322 659978765 /nfs/dbraw/zinc/97/87/65/659978765.db2.gz JLJIXVINBPBVKM-CQSZACIVSA-N -1 1 382.258 1.267 20 0 GDADMM O=C([O-])c1cc(Br)cc(C(=O)NC[C@@H]2CN3CCN2CCC3)c1 ZINC000910687322 659978768 /nfs/dbraw/zinc/97/87/68/659978768.db2.gz JLJIXVINBPBVKM-CQSZACIVSA-N -1 1 382.258 1.267 20 0 GDADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC(Cc2cccc(Br)c2)C1 ZINC000913094482 660066727 /nfs/dbraw/zinc/06/67/27/660066727.db2.gz JCJRPGGGSYOULI-UHFFFAOYSA-N -1 1 394.225 1.974 20 0 GDADMM Cc1cc(OCC(=O)N2CCOC[C@H]2c2nn[n-]n2)ccc1Br ZINC000913493140 660082236 /nfs/dbraw/zinc/08/22/36/660082236.db2.gz CKXYACMHNQSUDV-LBPRGKRZSA-N -1 1 382.218 1.250 20 0 GDADMM O=C(c1cc2cc(Br)ccc2o1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913494626 660082839 /nfs/dbraw/zinc/08/28/39/660082839.db2.gz HIQLGTUIWYVBOS-SNVBAGLBSA-N -1 1 378.186 1.922 20 0 GDADMM O=C(Cc1c[nH]c2cc(Br)ccc12)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913496103 660083388 /nfs/dbraw/zinc/08/33/88/660083388.db2.gz SJVFLBIOTRHMKJ-CYBMUJFWSA-N -1 1 391.229 1.586 20 0 GDADMM Cc1c2cc(C(=O)N3CCOC[C@@H]3c3nn[n-]n3)[nH]c2ccc1Br ZINC000913497335 660083691 /nfs/dbraw/zinc/08/36/91/660083691.db2.gz ADKUOOGAAUHGRB-CYBMUJFWSA-N -1 1 391.229 1.966 20 0 GDADMM O=C(N1CCC(c2nn[n-]n2)CC1)C(F)(F)c1ncccc1Br ZINC000913745473 660095208 /nfs/dbraw/zinc/09/52/08/660095208.db2.gz GNJSBJHRHFJNSZ-UHFFFAOYSA-N -1 1 387.188 1.855 20 0 GDADMM COc1nn2cc(Br)cnc2c1S(=O)(=O)[N-][C@H](C)C(C)C ZINC000913835867 660099373 /nfs/dbraw/zinc/09/93/73/660099373.db2.gz ZEOPDVMZABSNSR-MRVPVSSYSA-N -1 1 377.264 1.823 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-]CCc2nc(C)no2)c1F ZINC000914015314 660110040 /nfs/dbraw/zinc/11/00/40/660110040.db2.gz FSOSUMKOAKJANF-UHFFFAOYSA-N -1 1 394.222 1.809 20 0 GDADMM COCC[C@H](C)[N-]S(=O)(=O)c1c(OC)nn2cc(Br)cnc12 ZINC000914032091 660111791 /nfs/dbraw/zinc/11/17/91/660111791.db2.gz PGOCJWOPMTVOFJ-QMMMGPOBSA-N -1 1 393.263 1.204 20 0 GDADMM C[S@@](=O)CCC[N-]S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC000914124257 660118065 /nfs/dbraw/zinc/11/80/65/660118065.db2.gz MBAJAYXERJDXPU-YADHBBJMSA-N -1 1 392.446 1.636 20 0 GDADMM O=S(=O)(Cc1cccc(F)c1Br)[N-]C[C@@H](O)C(F)(F)F ZINC000914141642 660120956 /nfs/dbraw/zinc/12/09/56/660120956.db2.gz MJWHHUFPXFKPJH-MRVPVSSYSA-N -1 1 380.157 1.931 20 0 GDADMM Cn1c(C[N-]S(=O)(=O)c2occc2Br)nnc1C1CCC1 ZINC000914374208 660143933 /nfs/dbraw/zinc/14/39/33/660143933.db2.gz WWWYBWGTEKOJQV-UHFFFAOYSA-N -1 1 375.248 1.917 20 0 GDADMM CN(C)c1noc(C[N-]S(=O)(=O)Cc2ccsc2Br)n1 ZINC000914390510 660145531 /nfs/dbraw/zinc/14/55/31/660145531.db2.gz DSVLXYWAQYVILV-UHFFFAOYSA-N -1 1 381.277 1.579 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-]CCn2cnnc2)c1F ZINC000916009343 660182488 /nfs/dbraw/zinc/18/24/88/660182488.db2.gz MCSJFSODPKGVKP-UHFFFAOYSA-N -1 1 379.211 1.167 20 0 GDADMM Cn1cnnc1CCC[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000386825900 677677479 /nfs/dbraw/zinc/67/74/79/677677479.db2.gz SCSRRAXUCLURBD-UHFFFAOYSA-N -1 1 394.682 1.537 20 0 GDADMM CCCN1CC[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])sc2Br)C1 ZINC000389397895 677677691 /nfs/dbraw/zinc/67/76/91/677677691.db2.gz ZRGFCPZGCGZHGJ-MRVPVSSYSA-N -1 1 397.316 1.971 20 0 GDADMM CC(C)[C@H](CO)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000394032931 677678127 /nfs/dbraw/zinc/67/81/27/677678127.db2.gz MDOVMWDDCUNENU-VIFPVBQESA-N -1 1 381.248 1.900 20 0 GDADMM CN1CCN(c2ccc(CNC(=O)N[C@@H](C(=O)[O-])c3ccccc3)cn2)CC1 ZINC000780372082 939112224 /nfs/dbraw/zinc/11/22/24/939112224.db2.gz ABKYPZGUQCHWPW-GOSISDBHSA-N -1 1 383.452 1.459 20 0 GDADMM Cc1cccc(N2CCN(CCCNC(=O)N[C@]3(C(=O)[O-])CCOC3)CC2)c1 ZINC000908833672 939332595 /nfs/dbraw/zinc/33/25/95/939332595.db2.gz VMTPDDODHDLNDS-HXUWFJFHSA-N -1 1 390.484 1.050 20 0 GDADMM COc1ccc([C@H](NC(=O)c2cccc(N3CCN(C)CC3)n2)C(=O)[O-])cc1 ZINC000909329651 939396148 /nfs/dbraw/zinc/39/61/48/939396148.db2.gz VXBVONSQFQGKBJ-SFHVURJKSA-N -1 1 384.436 1.398 20 0 GDADMM COc1ccc([C@@H](NC(=O)C2CCC(N3CCOCC3)CC2)C(=O)[O-])cc1F ZINC000909795122 939733564 /nfs/dbraw/zinc/73/35/64/939733564.db2.gz CAYIQQDAPCCDMH-LEHRNKBSSA-N -1 1 394.443 1.967 20 0 GDADMM CC(C)(C)OC(=O)[C@@H]1CN(c2cc(-c3nnn[n-]3)nc3ccccc32)CCO1 ZINC000819928661 945313983 /nfs/dbraw/zinc/31/39/83/945313983.db2.gz UCCJJOOGLGDRRP-INIZCTEOSA-N -1 1 382.424 1.962 20 0 GDADMM CC(C)(C)OC(=O)[C@@H]1CN(c2cc(-c3nn[n-]n3)nc3ccccc32)CCO1 ZINC000819928661 945313995 /nfs/dbraw/zinc/31/39/95/945313995.db2.gz UCCJJOOGLGDRRP-INIZCTEOSA-N -1 1 382.424 1.962 20 0 GDADMM CC(C)(C)OC(=O)[C@H]1CN(c2c3ccccc3nnc2-c2nnn[n-]2)CCO1 ZINC000819928112 945314784 /nfs/dbraw/zinc/31/47/84/945314784.db2.gz ILVLLCMRRBLGCU-CYBMUJFWSA-N -1 1 383.412 1.357 20 0 GDADMM CC(C)(C)OC(=O)[C@H]1CN(c2c3ccccc3nnc2-c2nn[n-]n2)CCO1 ZINC000819928112 945314792 /nfs/dbraw/zinc/31/47/92/945314792.db2.gz ILVLLCMRRBLGCU-CYBMUJFWSA-N -1 1 383.412 1.357 20 0 GDADMM CC[C@@H]1CN(C(=O)c2ccsn2)CC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571261497 945427825 /nfs/dbraw/zinc/42/78/25/945427825.db2.gz GMJYXVXFKMGRHU-GHMZBOCLSA-N -1 1 385.457 1.466 20 0 GDADMM CC[C@@H]1CN(C(=O)c2ccsn2)CC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571261497 945427832 /nfs/dbraw/zinc/42/78/32/945427832.db2.gz GMJYXVXFKMGRHU-GHMZBOCLSA-N -1 1 385.457 1.466 20 0 GDADMM CCN(C(=O)c1cnc(C)s1)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571261887 945433494 /nfs/dbraw/zinc/43/34/94/945433494.db2.gz LMMGTGMYVVKPBU-LLVKDONJSA-N -1 1 385.457 1.163 20 0 GDADMM CCN(C(=O)c1cnc(C)s1)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571261887 945433499 /nfs/dbraw/zinc/43/34/99/945433499.db2.gz LMMGTGMYVVKPBU-LLVKDONJSA-N -1 1 385.457 1.163 20 0 GDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1CCN(c2ccccc2O)CC1 ZINC001571262208 945434690 /nfs/dbraw/zinc/43/46/90/945434690.db2.gz OGKBZZLGPYWVSH-UHFFFAOYSA-N -1 1 385.453 1.666 20 0 GDADMM CCc1ncsc1C(=O)N1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001571262746 945441063 /nfs/dbraw/zinc/44/10/63/945441063.db2.gz WUJVJVATJQKWRN-CABZTGNLSA-N -1 1 385.457 1.248 20 0 GDADMM CCc1ncsc1C(=O)N1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001571262746 945441069 /nfs/dbraw/zinc/44/10/69/945441069.db2.gz WUJVJVATJQKWRN-CABZTGNLSA-N -1 1 385.457 1.248 20 0 GDADMM Cc1nc(C)c(C(=O)N2CCC(Nc3cnc(-c4nnn[n-]4)cn3)CC2)s1 ZINC001571263009 945447868 /nfs/dbraw/zinc/44/78/68/945447868.db2.gz FOHSFCLATOXCHL-UHFFFAOYSA-N -1 1 385.457 1.447 20 0 GDADMM Cc1nc(C)c(C(=O)N2CCC(Nc3cnc(-c4nn[n-]n4)cn3)CC2)s1 ZINC001571263009 945447871 /nfs/dbraw/zinc/44/78/71/945447871.db2.gz FOHSFCLATOXCHL-UHFFFAOYSA-N -1 1 385.457 1.447 20 0 GDADMM Cc1nsc(N[C@H]2CCN(C(=O)c3ccc(C)nn3)[C@H]2C)c1-c1nn[n-]n1 ZINC001571263122 945451661 /nfs/dbraw/zinc/45/16/61/945451661.db2.gz HXWBIIWSOKWMAI-QWRGUYRKSA-N -1 1 385.457 1.445 20 0 GDADMM O=C(Cc1cncs1)N[C@@H]1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571263669 945463383 /nfs/dbraw/zinc/46/33/83/945463383.db2.gz WKFPMDWMSURZBJ-CMPLNLGQSA-N -1 1 385.457 1.053 20 0 GDADMM O=C(Cc1cncs1)N[C@@H]1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571263669 945463387 /nfs/dbraw/zinc/46/33/87/945463387.db2.gz WKFPMDWMSURZBJ-CMPLNLGQSA-N -1 1 385.457 1.053 20 0 GDADMM Cc1nsc(N[C@H]2CC[C@H](NC(=O)c3cccnn3)CC2)c1-c1nn[n-]n1 ZINC001571263755 945466136 /nfs/dbraw/zinc/46/61/36/945466136.db2.gz XWSCMLGNLVYIED-XYPYZODXSA-N -1 1 385.457 1.575 20 0 GDADMM O=C(c1ccncc1Cl)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571266329 945539481 /nfs/dbraw/zinc/53/94/81/945539481.db2.gz ZLWHHELTUYNCLC-SNVBAGLBSA-N -1 1 385.819 1.422 20 0 GDADMM O=C(c1ccncc1Cl)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571266329 945539487 /nfs/dbraw/zinc/53/94/87/945539487.db2.gz ZLWHHELTUYNCLC-SNVBAGLBSA-N -1 1 385.819 1.422 20 0 GDADMM O=C(c1ccc(F)c(F)c1)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571266863 945554572 /nfs/dbraw/zinc/55/45/72/945554572.db2.gz AQPPZCMJIFPCJZ-UHFFFAOYSA-N -1 1 386.366 1.287 20 0 GDADMM O=C(c1ccc(F)c(F)c1)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571266863 945554577 /nfs/dbraw/zinc/55/45/77/945554577.db2.gz AQPPZCMJIFPCJZ-UHFFFAOYSA-N -1 1 386.366 1.287 20 0 GDADMM O=C(c1cccc(C(F)F)c1)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571267190 945562642 /nfs/dbraw/zinc/56/26/42/945562642.db2.gz MBGFVQMJVRUZKD-LBPRGKRZSA-N -1 1 386.366 1.921 20 0 GDADMM O=C(c1cccc(C(F)F)c1)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571267190 945562649 /nfs/dbraw/zinc/56/26/49/945562649.db2.gz MBGFVQMJVRUZKD-LBPRGKRZSA-N -1 1 386.366 1.921 20 0 GDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CCN(c2c(F)cccc2F)CC1 ZINC001571267120 945563719 /nfs/dbraw/zinc/56/37/19/945563719.db2.gz JWBISJWSHCULRE-UHFFFAOYSA-N -1 1 386.366 1.894 20 0 GDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CCN(c2c(F)cccc2F)CC1 ZINC001571267120 945563726 /nfs/dbraw/zinc/56/37/26/945563726.db2.gz JWBISJWSHCULRE-UHFFFAOYSA-N -1 1 386.366 1.894 20 0 GDADMM CC[C@@H](C)[C@H](O)CNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000820860000 945574319 /nfs/dbraw/zinc/57/43/19/945574319.db2.gz HUOSAHWVZBZPOU-NOZJJQNGSA-N -1 1 376.486 1.998 20 0 GDADMM O=C(CCC1CCOCC1)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571272450 945663439 /nfs/dbraw/zinc/66/34/39/945663439.db2.gz FBKATHYUBPGQDK-CQSZACIVSA-N -1 1 386.460 1.124 20 0 GDADMM O=C(CCC1CCOCC1)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571272450 945663441 /nfs/dbraw/zinc/66/34/41/945663441.db2.gz FBKATHYUBPGQDK-CQSZACIVSA-N -1 1 386.460 1.124 20 0 GDADMM COC1CCC(C(=O)N2CC[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001571272601 945667672 /nfs/dbraw/zinc/66/76/72/945667672.db2.gz FWDFBRNABOFXCH-IYXRBSQSSA-N -1 1 386.460 1.122 20 0 GDADMM COC1CCC(C(=O)N2CC[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571272601 945667675 /nfs/dbraw/zinc/66/76/75/945667675.db2.gz FWDFBRNABOFXCH-IYXRBSQSSA-N -1 1 386.460 1.122 20 0 GDADMM NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001571272749 945669493 /nfs/dbraw/zinc/66/94/93/945669493.db2.gz ZHTSKHRPCJJVES-LBPRGKRZSA-N -1 1 386.803 1.133 20 0 GDADMM NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001571272749 945669495 /nfs/dbraw/zinc/66/94/95/945669495.db2.gz ZHTSKHRPCJJVES-LBPRGKRZSA-N -1 1 386.803 1.133 20 0 GDADMM O=C(CC1CCOCC1)N1CC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571272841 945674038 /nfs/dbraw/zinc/67/40/38/945674038.db2.gz JJGAPOIBESPNLK-CQSZACIVSA-N -1 1 386.460 1.124 20 0 GDADMM O=C(CC1CCOCC1)N1CC[C@@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571272841 945674043 /nfs/dbraw/zinc/67/40/43/945674043.db2.gz JJGAPOIBESPNLK-CQSZACIVSA-N -1 1 386.460 1.124 20 0 GDADMM O=C(c1cccnc1C(F)F)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571274590 945697578 /nfs/dbraw/zinc/69/75/78/945697578.db2.gz IGXUPXASTZFWMA-SECBINFHSA-N -1 1 387.354 1.316 20 0 GDADMM O=C(c1cccnc1C(F)F)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571274590 945697584 /nfs/dbraw/zinc/69/75/84/945697584.db2.gz IGXUPXASTZFWMA-SECBINFHSA-N -1 1 387.354 1.316 20 0 GDADMM CCOC1CC(C(=O)N2CCCC[C@H]2CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571275659 945711032 /nfs/dbraw/zinc/71/10/32/945711032.db2.gz ADWCCORYGSCJPK-MOKVOYLWSA-N -1 1 386.460 1.265 20 0 GDADMM CCOC1CC(C(=O)N2CCCC[C@H]2CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571275659 945711036 /nfs/dbraw/zinc/71/10/36/945711036.db2.gz ADWCCORYGSCJPK-MOKVOYLWSA-N -1 1 386.460 1.265 20 0 GDADMM CCOC1CC(C(=O)N[C@@H]2CCCC[C@H]2Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571276586 945731710 /nfs/dbraw/zinc/73/17/10/945731710.db2.gz JFHCSPDVTWGDND-NWINJMCUSA-N -1 1 386.460 1.311 20 0 GDADMM CCOC1CC(C(=O)N[C@@H]2CCCC[C@H]2Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571276586 945731713 /nfs/dbraw/zinc/73/17/13/945731713.db2.gz JFHCSPDVTWGDND-NWINJMCUSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC2(O)CCC2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571277559 945742356 /nfs/dbraw/zinc/74/23/56/945742356.db2.gz LPWJADNRBCPTCJ-TZMCWYRMSA-N -1 1 386.460 1.001 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC2(O)CCC2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571277559 945742361 /nfs/dbraw/zinc/74/23/61/945742361.db2.gz LPWJADNRBCPTCJ-TZMCWYRMSA-N -1 1 386.460 1.001 20 0 GDADMM CC1(C)CO[C@H](CC(=O)N2CCC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571278970 945764341 /nfs/dbraw/zinc/76/43/41/945764341.db2.gz TWTAMMWXMFHURP-CHWSQXEVSA-N -1 1 386.460 1.265 20 0 GDADMM CC1(C)CO[C@H](CC(=O)N2CCC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571278970 945764349 /nfs/dbraw/zinc/76/43/49/945764349.db2.gz TWTAMMWXMFHURP-CHWSQXEVSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H]1COCC[C@@H]1C(=O)N1CCC(C)(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571279993 945792896 /nfs/dbraw/zinc/79/28/96/945792896.db2.gz YRUUDWXIGBOTMP-STQMWFEESA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H]1COCC[C@@H]1C(=O)N1CCC(C)(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571279993 945792906 /nfs/dbraw/zinc/79/29/06/945792906.db2.gz YRUUDWXIGBOTMP-STQMWFEESA-N -1 1 386.460 1.122 20 0 GDADMM Cc1nsc(N2CCC[C@H](NC(=O)Cc3ccco3)[C@@H]2C)c1-c1nn[n-]n1 ZINC001571281411 945803353 /nfs/dbraw/zinc/80/33/53/945803353.db2.gz IGIOTHZVNMJLJU-AAEUAGOBSA-N -1 1 387.469 1.941 20 0 GDADMM Cc1c[nH]c(C(=O)N[C@@H]2CC[C@@H](C)N(c3snc(C)c3-c3nn[n-]n3)C2)n1 ZINC001571281715 945810523 /nfs/dbraw/zinc/81/05/23/945810523.db2.gz MIMJYNMTXJNIBN-MWLCHTKSSA-N -1 1 387.473 1.450 20 0 GDADMM CCn1cc(C(=O)N2C[C@H](Nc3snc(C)c3-c3nn[n-]n3)C[C@H]2C)cn1 ZINC001571281759 945814762 /nfs/dbraw/zinc/81/47/62/945814762.db2.gz NICKRJSINNZQKP-BXKDBHETSA-N -1 1 387.473 1.563 20 0 GDADMM CCn1cc(C(=O)N2CCC[C@H](Nc3snc(C)c3-c3nn[n-]n3)C2)cn1 ZINC001571282050 945827555 /nfs/dbraw/zinc/82/75/55/945827555.db2.gz RJIMMZQJVTVTJA-LBPRGKRZSA-N -1 1 387.473 1.565 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2ccc(Cl)[nH]2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001571283869 945889986 /nfs/dbraw/zinc/88/99/86/945889986.db2.gz JTGKSLPZHKSVJP-UWVGGRQHSA-N -1 1 387.835 1.426 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2ccc(Cl)[nH]2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001571283869 945889997 /nfs/dbraw/zinc/88/99/97/945889997.db2.gz JTGKSLPZHKSVJP-UWVGGRQHSA-N -1 1 387.835 1.426 20 0 GDADMM C[C@H]1CN(C(=O)c2cc(Cl)c[nH]2)CC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571283706 945891157 /nfs/dbraw/zinc/89/11/57/945891157.db2.gz HGSUWNAEYGVTQC-GXSJLCMTSA-N -1 1 387.835 1.601 20 0 GDADMM C[C@H]1CN(C(=O)c2cc(Cl)c[nH]2)CC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571283706 945891166 /nfs/dbraw/zinc/89/11/66/945891166.db2.gz HGSUWNAEYGVTQC-GXSJLCMTSA-N -1 1 387.835 1.601 20 0 GDADMM COC(=O)C[C@@H](NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1)c1ccncc1 ZINC001571285370 945915024 /nfs/dbraw/zinc/91/50/24/945915024.db2.gz CBQYVAGUAFHTKG-CYBMUJFWSA-N -1 1 388.334 1.574 20 0 GDADMM COC(=O)C[C@@H](NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1)c1ccncc1 ZINC001571285370 945915030 /nfs/dbraw/zinc/91/50/30/945915030.db2.gz CBQYVAGUAFHTKG-CYBMUJFWSA-N -1 1 388.334 1.574 20 0 GDADMM CC(C)(C)OC(=O)NC1CCN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001571286522 945950877 /nfs/dbraw/zinc/95/08/77/945950877.db2.gz JWNLVYDTGWZJSH-UHFFFAOYSA-N -1 1 388.432 1.783 20 0 GDADMM CC(C)(C)OC(=O)NC1CCN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001571286522 945950887 /nfs/dbraw/zinc/95/08/87/945950887.db2.gz JWNLVYDTGWZJSH-UHFFFAOYSA-N -1 1 388.432 1.783 20 0 GDADMM Cc1nsc(N[C@H]2CCN(C(=O)Cc3ccc(F)cn3)C2)c1-c1nn[n-]n1 ZINC001571286632 945952445 /nfs/dbraw/zinc/95/24/45/945952445.db2.gz NCVPLQMVAJJSSL-LBPRGKRZSA-N -1 1 388.432 1.421 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(F)s2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571286852 945960925 /nfs/dbraw/zinc/96/09/25/945960925.db2.gz TZWTVBZZZZDCOW-NXEZZACHSA-N -1 1 388.432 1.678 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(F)s2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571286852 945960941 /nfs/dbraw/zinc/96/09/41/945960941.db2.gz TZWTVBZZZZDCOW-NXEZZACHSA-N -1 1 388.432 1.678 20 0 GDADMM CCC[C@]1(C(=O)OCC)CCCN1C(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001571286905 945962790 /nfs/dbraw/zinc/96/27/90/945962790.db2.gz VAKGWBBRUCSYLC-GOSISDBHSA-N -1 1 388.428 1.614 20 0 GDADMM Cc1nc(C(=O)N2CCC[C@H]2CN(C)c2snc(C)c2-c2nn[n-]n2)co1 ZINC001571289465 946007229 /nfs/dbraw/zinc/00/72/29/946007229.db2.gz FHDJLBREYVTJAV-NSHDSACASA-N -1 1 388.457 1.669 20 0 GDADMM Cc1nsc(N[C@H]2CN(C(=O)CCc3ccon3)C[C@@H]2C)c1-c1nn[n-]n1 ZINC001571289537 946009844 /nfs/dbraw/zinc/00/98/44/946009844.db2.gz HBJVLAUAWNISPY-CABZTGNLSA-N -1 1 388.457 1.511 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H](F)C(C)C)n1 ZINC001571289620 946012721 /nfs/dbraw/zinc/01/27/21/946012721.db2.gz IVHCKGTVXYCKEG-OZVIIMIRSA-N -1 1 388.451 1.393 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H](F)C(C)C)n1 ZINC001571289620 946012730 /nfs/dbraw/zinc/01/27/30/946012730.db2.gz IVHCKGTVXYCKEG-OZVIIMIRSA-N -1 1 388.451 1.393 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H](CO)CC1CCCC1 ZINC001571289853 946019547 /nfs/dbraw/zinc/01/95/47/946019547.db2.gz NYIHMBACVHHOOU-AWEZNQCLSA-N -1 1 388.472 1.574 20 0 GDADMM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1CNC(=O)c1ccc(Cl)o1 ZINC001571290340 946038534 /nfs/dbraw/zinc/03/85/34/946038534.db2.gz AWXNSKOVIYKYCW-NXEZZACHSA-N -1 1 388.819 1.405 20 0 GDADMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1CNC(=O)c1ccc(Cl)o1 ZINC001571290340 946038543 /nfs/dbraw/zinc/03/85/43/946038543.db2.gz AWXNSKOVIYKYCW-NXEZZACHSA-N -1 1 388.819 1.405 20 0 GDADMM O=C(c1cccc(Cl)c1F)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571290562 946046688 /nfs/dbraw/zinc/04/66/88/946046688.db2.gz IVWXOOGPLLFEHB-SECBINFHSA-N -1 1 388.794 1.776 20 0 GDADMM O=C(c1cccc(Cl)c1F)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571290562 946046698 /nfs/dbraw/zinc/04/66/98/946046698.db2.gz IVWXOOGPLLFEHB-SECBINFHSA-N -1 1 388.794 1.776 20 0 GDADMM CC[C@@H](SC)C(=O)N1CC[C@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001571290553 946049188 /nfs/dbraw/zinc/04/91/88/946049188.db2.gz ITFHSKUHQWILMN-PXAZEXFGSA-N -1 1 388.501 1.227 20 0 GDADMM CC[C@@H](SC)C(=O)N1CC[C@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001571290553 946049201 /nfs/dbraw/zinc/04/92/01/946049201.db2.gz ITFHSKUHQWILMN-PXAZEXFGSA-N -1 1 388.501 1.227 20 0 GDADMM O=C(N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccc(F)c(Cl)c1 ZINC001571290826 946058045 /nfs/dbraw/zinc/05/80/45/946058045.db2.gz QCTMYIPCPVDZTQ-SNVBAGLBSA-N -1 1 388.794 1.458 20 0 GDADMM Cc1cc(-c2nn[n-]n2)c(=O)n(Cc2cc3c(cc2Br)OCO3)c1 ZINC001571294433 946133848 /nfs/dbraw/zinc/13/38/48/946133848.db2.gz GEQMROBLNZXXGA-UHFFFAOYSA-N -1 1 390.197 1.876 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(C(F)F)o2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571294441 946133900 /nfs/dbraw/zinc/13/39/00/946133900.db2.gz GPTGYXZWPUBSOR-PSASIEDQSA-N -1 1 390.354 1.760 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(C(F)F)o2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571294441 946133910 /nfs/dbraw/zinc/13/39/10/946133910.db2.gz GPTGYXZWPUBSOR-PSASIEDQSA-N -1 1 390.354 1.760 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1coc(C(F)F)c1 ZINC001571294615 946138230 /nfs/dbraw/zinc/13/82/30/946138230.db2.gz KDMYJZGPNQJWEE-SCZZXKLOSA-N -1 1 390.354 1.902 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1coc(C(F)F)c1 ZINC001571294615 946138239 /nfs/dbraw/zinc/13/82/39/946138239.db2.gz KDMYJZGPNQJWEE-SCZZXKLOSA-N -1 1 390.354 1.902 20 0 GDADMM Cc1cc(C(F)F)oc1C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571294905 946147857 /nfs/dbraw/zinc/14/78/57/946147857.db2.gz PSNVXYNBPWTCAP-DTORHVGOSA-N -1 1 390.354 1.291 20 0 GDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC001571295404 946162314 /nfs/dbraw/zinc/16/23/14/946162314.db2.gz RYCVNDFNCCRQQG-LBPRGKRZSA-N -1 1 389.485 1.472 20 0 GDADMM Cc1nsc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H]2CCOC2)C3)c1-c1nn[n-]n1 ZINC001571295575 946165941 /nfs/dbraw/zinc/16/59/41/946165941.db2.gz YEHMZOGZLQEMSI-NDBYEHHHSA-N -1 1 389.485 1.284 20 0 GDADMM Cc1nsc(NCC[C@H]2CCN(C(=O)[C@]34C[C@H]3COC4)C2)c1-c1nn[n-]n1 ZINC001571295535 946166627 /nfs/dbraw/zinc/16/66/27/946166627.db2.gz WUTSQFSKOVHYFL-PRXAMGSTSA-N -1 1 389.485 1.319 20 0 GDADMM CCOc1nc(C(=O)N[C@H]2CCN(c3snc(C)c3-c3nn[n-]n3)C2)co1 ZINC001571296284 946189151 /nfs/dbraw/zinc/18/91/51/946189151.db2.gz SWCDJXRCLZUXAI-VIFPVBQESA-N -1 1 390.429 1.027 20 0 GDADMM Cc1ncc(C(=O)N[C@@]2(C)CCN(c3snc(C)c3-c3nn[n-]n3)C2)s1 ZINC001571298087 946205471 /nfs/dbraw/zinc/20/54/71/946205471.db2.gz JGGTVPDBLCLDMQ-HNNXBMFYSA-N -1 1 390.498 1.795 20 0 GDADMM Cc1ccccc1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001571298921 946232045 /nfs/dbraw/zinc/23/20/45/946232045.db2.gz LSUMCOOXWLLNKR-GASCZTMLSA-N -1 1 390.451 1.849 20 0 GDADMM Cc1ccccc1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001571298921 946232056 /nfs/dbraw/zinc/23/20/56/946232056.db2.gz LSUMCOOXWLLNKR-GASCZTMLSA-N -1 1 390.451 1.849 20 0 GDADMM C[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1NC(=O)c1cccc2c1CCC2 ZINC001571298912 946233314 /nfs/dbraw/zinc/23/33/14/946233314.db2.gz LPEUKFMLSHAYJZ-SJKOYZFVSA-N -1 1 390.451 1.400 20 0 GDADMM C[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)c1cccc2c1CCC2 ZINC001571298912 946233325 /nfs/dbraw/zinc/23/33/25/946233325.db2.gz LPEUKFMLSHAYJZ-SJKOYZFVSA-N -1 1 390.451 1.400 20 0 GDADMM CCc1nc(N[C@H]2C[C@@H](NC(=O)[C@@H]3Cc4ccccc43)C2)cc(-c2nnn[n-]2)n1 ZINC001571298946 946235871 /nfs/dbraw/zinc/23/58/71/946235871.db2.gz MCSVJBZUQTZLBS-VNHYZAJKSA-N -1 1 390.451 1.618 20 0 GDADMM CCc1nc(N[C@H]2C[C@@H](NC(=O)[C@@H]3Cc4ccccc43)C2)cc(-c2nn[n-]n2)n1 ZINC001571298946 946235883 /nfs/dbraw/zinc/23/58/83/946235883.db2.gz MCSVJBZUQTZLBS-VNHYZAJKSA-N -1 1 390.451 1.618 20 0 GDADMM O=C(NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)[C@H]1C[C@@H]1c1ccccc1 ZINC001571298960 946235991 /nfs/dbraw/zinc/23/59/91/946235991.db2.gz SFFZSQHIMHIAFK-CVEARBPZSA-N -1 1 390.451 1.545 20 0 GDADMM O=C(NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)[C@H]1C[C@@H]1c1ccccc1 ZINC001571298960 946236000 /nfs/dbraw/zinc/23/60/00/946236000.db2.gz SFFZSQHIMHIAFK-CVEARBPZSA-N -1 1 390.451 1.545 20 0 GDADMM Cc1cc(C(=O)N2CCN(c3nc(-c4nn[n-]n4)c(Cl)s3)CC2)ccn1 ZINC001571299039 946236958 /nfs/dbraw/zinc/23/69/58/946236958.db2.gz HTXMVDXGYBPTIH-UHFFFAOYSA-N -1 1 390.860 1.642 20 0 GDADMM CC(=O)N[C@H](CC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC001573486399 946239838 /nfs/dbraw/zinc/23/98/38/946239838.db2.gz FUOKPHBTWVZRJR-CYBMUJFWSA-N -1 1 390.354 1.084 20 0 GDADMM CC(=O)N[C@H](CC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC001573486399 946239843 /nfs/dbraw/zinc/23/98/43/946239843.db2.gz FUOKPHBTWVZRJR-CYBMUJFWSA-N -1 1 390.354 1.084 20 0 GDADMM Cc1nsc(N2C[C@@H](NC(=O)c3cscn3)CC[C@@H]2C)c1-c1nn[n-]n1 ZINC001571299578 946253883 /nfs/dbraw/zinc/25/38/83/946253883.db2.gz XQFQEEPOKAPGDG-WPRPVWTQSA-N -1 1 390.498 1.875 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](NC(=O)[C@@H]3Cc4ccccc43)C2)n1 ZINC001571300052 946269942 /nfs/dbraw/zinc/26/99/42/946269942.db2.gz ZGJWUQPBPNMVBF-GOEBONIOSA-N -1 1 390.451 1.390 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](NC(=O)[C@@H]3Cc4ccccc43)C2)n1 ZINC001571300052 946269955 /nfs/dbraw/zinc/26/99/55/946269955.db2.gz ZGJWUQPBPNMVBF-GOEBONIOSA-N -1 1 390.451 1.390 20 0 GDADMM C[C@H]1[C@@H](CO)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC001571302330 946299996 /nfs/dbraw/zinc/29/99/96/946299996.db2.gz UYESQLJTRLXNAS-DTWKUNHWSA-N -1 1 391.375 1.277 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H]3CN(C(=O)c4ccccn4)CC[C@@H]32)n1 ZINC001571303480 946336514 /nfs/dbraw/zinc/33/65/14/946336514.db2.gz RTKXLQFMNUNHMH-CJNGLKHVSA-N -1 1 391.439 1.101 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H]3CN(C(=O)c4ccccn4)CC[C@@H]32)n1 ZINC001571303480 946336528 /nfs/dbraw/zinc/33/65/28/946336528.db2.gz RTKXLQFMNUNHMH-CJNGLKHVSA-N -1 1 391.439 1.101 20 0 GDADMM COC(=O)c1ccc2c(c1)N(S(=O)(=O)c1ccsc1-c1nn[n-]n1)CC2 ZINC001571303478 946337855 /nfs/dbraw/zinc/33/78/55/946337855.db2.gz LWPXXHJFHHTCRF-UHFFFAOYSA-N -1 1 391.434 1.466 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)c1cccnc1C1CC1 ZINC001571303640 946341056 /nfs/dbraw/zinc/34/10/56/946341056.db2.gz UVDFPCXGYQVOSW-AULYBMBSSA-N -1 1 391.439 1.550 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)c1cccnc1C1CC1 ZINC001571303640 946341068 /nfs/dbraw/zinc/34/10/68/946341068.db2.gz UVDFPCXGYQVOSW-AULYBMBSSA-N -1 1 391.439 1.550 20 0 GDADMM O=C([C@H]1CCCc2cccnc21)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571303656 946342452 /nfs/dbraw/zinc/34/24/52/946342452.db2.gz VDXNHSLXBBQIIJ-KGLIPLIRSA-N -1 1 391.439 1.185 20 0 GDADMM O=C([C@H]1CCCc2cccnc21)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571303656 946342463 /nfs/dbraw/zinc/34/24/63/946342463.db2.gz VDXNHSLXBBQIIJ-KGLIPLIRSA-N -1 1 391.439 1.185 20 0 GDADMM O=C([C@@H]1CCCc2cccnc21)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571303661 946344410 /nfs/dbraw/zinc/34/44/10/946344410.db2.gz VDXNHSLXBBQIIJ-ZIAGYGMSSA-N -1 1 391.439 1.185 20 0 GDADMM O=C([C@@H]1CCCc2cccnc21)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571303661 946344419 /nfs/dbraw/zinc/34/44/19/946344419.db2.gz VDXNHSLXBBQIIJ-ZIAGYGMSSA-N -1 1 391.439 1.185 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H]3C[C@H]2CN3C(=O)c2cncc(C)c2)n1 ZINC001571303896 946349583 /nfs/dbraw/zinc/34/95/83/946349583.db2.gz SGFJJGVTVRVKJK-KBPBESRZSA-N -1 1 391.439 1.026 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H]3C[C@H]2CN3C(=O)c2cncc(C)c2)n1 ZINC001571303896 946349594 /nfs/dbraw/zinc/34/95/94/946349594.db2.gz SGFJJGVTVRVKJK-KBPBESRZSA-N -1 1 391.439 1.026 20 0 GDADMM Cc1nsc(N[C@H]2CCN(C(=O)c3cnn(CCF)c3)C2)c1-c1nn[n-]n1 ZINC001571303872 946350474 /nfs/dbraw/zinc/35/04/74/946350474.db2.gz RMWBNTODVSNBEN-NSHDSACASA-N -1 1 391.436 1.124 20 0 GDADMM Cc1nsc(NCCC2CCN(C(=O)[C@H]3CCOC3)CC2)c1-c1nn[n-]n1 ZINC001571305412 946361742 /nfs/dbraw/zinc/36/17/42/946361742.db2.gz ANRSHAKBGVKZDW-ZDUSSCGKSA-N -1 1 391.501 1.709 20 0 GDADMM Cc1nsc(NC[C@H]2C[C@H](NC(=O)C[C@H]3CCCOC3)C2)c1-c1nn[n-]n1 ZINC001571305460 946362944 /nfs/dbraw/zinc/36/29/44/946362944.db2.gz BTJHAKQWTGUQNV-JHJVBQTASA-N -1 1 391.501 1.755 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2cccnn2)CCN1c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001571305569 946368098 /nfs/dbraw/zinc/36/80/98/946368098.db2.gz FNFMXRNJUDJCOU-SFYZADRCSA-N -1 1 391.848 1.164 20 0 GDADMM Cc1nsc(NC[C@H]2CCC[C@@H]2NC(=O)c2cnns2)c1-c1nn[n-]n1 ZINC001571306099 946388279 /nfs/dbraw/zinc/38/82/79/946388279.db2.gz PLPKUKGTTPGXIH-BDAKNGLRSA-N -1 1 391.486 1.494 20 0 GDADMM CC(C)(C[C@@H]1CCCN(C(=O)NCc2ccc(-c3nn[n-]n3)s2)C1)C(N)=O ZINC001571306392 946399086 /nfs/dbraw/zinc/39/90/86/946399086.db2.gz VCFZEJUIISZRHZ-NSHDSACASA-N -1 1 391.501 1.751 20 0 GDADMM CCOC1CC(CC(=O)N2CC[C@H](Nc3snc(C)c3-c3nn[n-]n3)C2)C1 ZINC001571306645 946407103 /nfs/dbraw/zinc/40/71/03/946407103.db2.gz ZFLVKQLZBUAUSK-CPCZMJQVSA-N -1 1 391.501 1.850 20 0 GDADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001571307250 946421326 /nfs/dbraw/zinc/42/13/26/946421326.db2.gz BBFKSCXABYVCAL-NEPJUHHUSA-N -1 1 392.414 1.519 20 0 GDADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001571307250 946421333 /nfs/dbraw/zinc/42/13/33/946421333.db2.gz BBFKSCXABYVCAL-NEPJUHHUSA-N -1 1 392.414 1.519 20 0 GDADMM CN(C[C@@H]1CCCN1C(=O)C1(C(C)(F)F)CC1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571307574 946425028 /nfs/dbraw/zinc/42/50/28/946425028.db2.gz FJOLTPORWNXQHD-NSHDSACASA-N -1 1 392.414 1.519 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCC[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001571308068 946428338 /nfs/dbraw/zinc/42/83/38/946428338.db2.gz LBTXBQPNARNLJY-NSHDSACASA-N -1 1 392.414 1.743 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCC[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001571308068 946428345 /nfs/dbraw/zinc/42/83/45/946428345.db2.gz LBTXBQPNARNLJY-NSHDSACASA-N -1 1 392.414 1.743 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCC[C@H](CNc3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001571308067 946429229 /nfs/dbraw/zinc/42/92/29/946429229.db2.gz LBTXBQPNARNLJY-LLVKDONJSA-N -1 1 392.414 1.743 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCC[C@H](CNc3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001571308067 946429235 /nfs/dbraw/zinc/42/92/35/946429235.db2.gz LBTXBQPNARNLJY-LLVKDONJSA-N -1 1 392.414 1.743 20 0 GDADMM CC1(C(=O)N2CCCC[C@H]2CNc2cncc(-c3nnn[n-]3)n2)CC(F)(F)C1 ZINC001571308029 946429916 /nfs/dbraw/zinc/42/99/16/946429916.db2.gz KESBEUWKDMZGCE-NSHDSACASA-N -1 1 392.414 1.885 20 0 GDADMM CC1(C(=O)N2CCCC[C@H]2CNc2cncc(-c3nn[n-]n3)n2)CC(F)(F)C1 ZINC001571308029 946429921 /nfs/dbraw/zinc/42/99/21/946429921.db2.gz KESBEUWKDMZGCE-NSHDSACASA-N -1 1 392.414 1.885 20 0 GDADMM C[C@@H]1CCN(C(=O)[C@H]2CCC2(F)F)[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571308363 946430386 /nfs/dbraw/zinc/43/03/86/946430386.db2.gz PDNOEWJDKHCMFO-GRYCIOLGSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H]1CCN(C(=O)[C@H]2CCC2(F)F)[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571308363 946430393 /nfs/dbraw/zinc/43/03/93/946430393.db2.gz PDNOEWJDKHCMFO-GRYCIOLGSA-N -1 1 392.414 1.741 20 0 GDADMM O=C([C@H]1CCC1(F)F)N1CCCCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571308573 946435511 /nfs/dbraw/zinc/43/55/11/946435511.db2.gz RGKUZTWDPKYKRF-VXGBXAGGSA-N -1 1 392.414 1.885 20 0 GDADMM O=C([C@H]1CCC1(F)F)N1CCCCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571308573 946435518 /nfs/dbraw/zinc/43/55/18/946435518.db2.gz RGKUZTWDPKYKRF-VXGBXAGGSA-N -1 1 392.414 1.885 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](NC(=O)CC3CC(F)(F)C3)C2)n1 ZINC001571308892 946436945 /nfs/dbraw/zinc/43/69/45/946436945.db2.gz UKFWRBFAWNIYFK-LBPRGKRZSA-N -1 1 392.414 1.486 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](NC(=O)CC3CC(F)(F)C3)C2)n1 ZINC001571308892 946436950 /nfs/dbraw/zinc/43/69/50/946436950.db2.gz UKFWRBFAWNIYFK-LBPRGKRZSA-N -1 1 392.414 1.486 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NCC[C@H]2CCN(C(=O)C3CC(F)(F)C3)C2)n1 ZINC001571308862 946437086 /nfs/dbraw/zinc/43/70/86/946437086.db2.gz TYAUMGCCCUOGKW-NSHDSACASA-N -1 1 392.414 1.661 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NCC[C@H]2CCN(C(=O)C3CC(F)(F)C3)C2)n1 ZINC001571308862 946437094 /nfs/dbraw/zinc/43/70/94/946437094.db2.gz TYAUMGCCCUOGKW-NSHDSACASA-N -1 1 392.414 1.661 20 0 GDADMM O=C([C@H]1CCC(F)(F)C1)N1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571309369 946442072 /nfs/dbraw/zinc/44/20/72/946442072.db2.gz YKDXPOQYKWXCFX-RYUDHWBXSA-N -1 1 392.414 1.307 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](CNC(=O)[C@@H]3CCC3(F)F)C2)n1 ZINC001571309375 946442401 /nfs/dbraw/zinc/44/24/01/946442401.db2.gz YQABDCWNHJMNOK-RYUDHWBXSA-N -1 1 392.414 1.343 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](CNC(=O)[C@@H]3CCC3(F)F)C2)n1 ZINC001571309375 946442407 /nfs/dbraw/zinc/44/24/07/946442407.db2.gz YQABDCWNHJMNOK-RYUDHWBXSA-N -1 1 392.414 1.343 20 0 GDADMM O=C(NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)c1ccc2c(c1)COC2 ZINC001571309556 946447013 /nfs/dbraw/zinc/44/70/13/946447013.db2.gz DDPIUQUEWXDUOQ-OAHLLOKOSA-N -1 1 392.423 1.086 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)[C@@H]1CCCCC1(F)F ZINC001571309598 946449225 /nfs/dbraw/zinc/44/92/25/946449225.db2.gz FHQNZIHSHWGAQN-TUAOUCFPSA-N -1 1 392.414 1.789 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)[C@@H]1CCCCC1(F)F ZINC001571309598 946449230 /nfs/dbraw/zinc/44/92/30/946449230.db2.gz FHQNZIHSHWGAQN-TUAOUCFPSA-N -1 1 392.414 1.789 20 0 GDADMM O=C(CC1CC(F)(F)C1)N1CC[C@@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571309688 946451375 /nfs/dbraw/zinc/45/13/75/946451375.db2.gz HWKXRUQIBKOCKT-LLVKDONJSA-N -1 1 392.414 1.743 20 0 GDADMM O=C(CC1CC(F)(F)C1)N1CC[C@@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571309688 946451381 /nfs/dbraw/zinc/45/13/81/946451381.db2.gz HWKXRUQIBKOCKT-LLVKDONJSA-N -1 1 392.414 1.743 20 0 GDADMM CCc1ccc([C@@H](C)NC(=O)Cn2c3c(cc(-c4nn[n-]n4)c2=O)CCC3)cc1 ZINC001571310406 946471913 /nfs/dbraw/zinc/47/19/13/946471913.db2.gz FDCAAKKKGRHSCW-CYBMUJFWSA-N -1 1 392.463 1.957 20 0 GDADMM CCc1ccccc1CC(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571312677 946497574 /nfs/dbraw/zinc/49/75/74/946497574.db2.gz AGDZKDNVPZHTRD-INIZCTEOSA-N -1 1 392.467 1.547 20 0 GDADMM CCc1ccccc1CC(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571312677 946497578 /nfs/dbraw/zinc/49/75/78/946497578.db2.gz AGDZKDNVPZHTRD-INIZCTEOSA-N -1 1 392.467 1.547 20 0 GDADMM C[C@@H]1CN(C(=O)C2C=CC=CC=C2)CC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571313174 946512832 /nfs/dbraw/zinc/51/28/32/946512832.db2.gz JDXYWCJMQVPFQG-GDBMZVCRSA-N -1 1 392.467 1.852 20 0 GDADMM C[C@@H]1CN(C(=O)C2C=CC=CC=C2)CC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571313174 946512847 /nfs/dbraw/zinc/51/28/47/946512847.db2.gz JDXYWCJMQVPFQG-GDBMZVCRSA-N -1 1 392.467 1.852 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)Cc3ccccc3)[C@@H](C)C2)n1 ZINC001571314687 946543265 /nfs/dbraw/zinc/54/32/65/946543265.db2.gz ADJHQOOJEHHADZ-GOEBONIOSA-N -1 1 392.467 1.999 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)Cc3ccccc3)[C@@H](C)C2)n1 ZINC001571314687 946543272 /nfs/dbraw/zinc/54/32/72/946543272.db2.gz ADJHQOOJEHHADZ-GOEBONIOSA-N -1 1 392.467 1.999 20 0 GDADMM Cc1ccc(C)c(CC(=O)N2CC[C@H](N(C)c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571314919 946544188 /nfs/dbraw/zinc/54/41/88/946544188.db2.gz DNWZLMIUNYOFMI-INIZCTEOSA-N -1 1 392.467 1.553 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)c(C)c1 ZINC001571314996 946547247 /nfs/dbraw/zinc/54/72/47/946547247.db2.gz GAWDBNZIOOXIGV-ZBFHGGJFSA-N -1 1 392.467 1.706 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)CC2(C)C)cc1C ZINC001571315279 946549841 /nfs/dbraw/zinc/54/98/41/946549841.db2.gz ISJFSORNSLTXTR-INIZCTEOSA-N -1 1 392.467 1.918 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)CC2(C)C)cc1C ZINC001571315279 946549849 /nfs/dbraw/zinc/54/98/49/946549849.db2.gz ISJFSORNSLTXTR-INIZCTEOSA-N -1 1 392.467 1.918 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H](CN(C)c3nc(C)cc(-c4nnn[n-]4)n3)C2)cc1 ZINC001571315392 946552304 /nfs/dbraw/zinc/55/23/04/946552304.db2.gz JCELJFUPQCHLFH-OAHLLOKOSA-N -1 1 392.467 1.872 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H](CN(C)c3nc(C)cc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571315392 946552316 /nfs/dbraw/zinc/55/23/16/946552316.db2.gz JCELJFUPQCHLFH-OAHLLOKOSA-N -1 1 392.467 1.872 20 0 GDADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824024560 946559015 /nfs/dbraw/zinc/55/90/15/946559015.db2.gz JVTJLPWINBEWDS-KRWDZBQOSA-N -1 1 382.376 1.594 20 0 GDADMM Cc1cccc(CC(=O)N[C@@H]2CC[C@@H](C)N(c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571316924 946592141 /nfs/dbraw/zinc/59/21/41/946592141.db2.gz QBZGSYXGQQTIGM-GDBMZVCRSA-N -1 1 392.467 1.681 20 0 GDADMM Cc1cccc(CC(=O)N[C@@H]2CC[C@@H](C)N(c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571316924 946592149 /nfs/dbraw/zinc/59/21/49/946592149.db2.gz QBZGSYXGQQTIGM-GDBMZVCRSA-N -1 1 392.467 1.681 20 0 GDADMM Cc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2snc(Cl)c2-c2nnn[n-]2)on1 ZINC001571317349 946606910 /nfs/dbraw/zinc/60/69/10/946606910.db2.gz DOTCHKIPCAJSOW-YUMQZZPRSA-N -1 1 392.832 1.376 20 0 GDADMM Cc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2snc(Cl)c2-c2nn[n-]n2)on1 ZINC001571317349 946606915 /nfs/dbraw/zinc/60/69/15/946606915.db2.gz DOTCHKIPCAJSOW-YUMQZZPRSA-N -1 1 392.832 1.376 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CC[C@H](N(C)c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571317539 946612866 /nfs/dbraw/zinc/61/28/66/946612866.db2.gz LSHKWELZADSXGB-VIFPVBQESA-N -1 1 392.876 1.964 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CC[C@H](N(C)c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571317539 946612875 /nfs/dbraw/zinc/61/28/75/946612875.db2.gz LSHKWELZADSXGB-VIFPVBQESA-N -1 1 392.876 1.964 20 0 GDADMM C[C@@H]1CN(C(=O)Cc2ccc[nH]2)C[C@H]1Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001571317933 946624187 /nfs/dbraw/zinc/62/41/87/946624187.db2.gz ZFJHXKVVYBKOPS-PSASIEDQSA-N -1 1 392.876 1.806 20 0 GDADMM CC(=O)Nc1cc(S(=O)(=O)NCc2ccc(-c3nn[n-]n3)s2)ccc1C ZINC001573542717 946799629 /nfs/dbraw/zinc/79/96/29/946799629.db2.gz MKUXVRUCVPZUJU-UHFFFAOYSA-N -1 1 392.466 1.674 20 0 GDADMM CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC001573546544 946811424 /nfs/dbraw/zinc/81/14/24/946811424.db2.gz DJZOAGJQSSOKTO-SECBINFHSA-N -1 1 386.441 1.678 20 0 GDADMM CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC001573546544 946811434 /nfs/dbraw/zinc/81/14/34/946811434.db2.gz DJZOAGJQSSOKTO-SECBINFHSA-N -1 1 386.441 1.678 20 0 GDADMM CC(=O)Nc1cccc(C(=O)NCCNc2snc(C)c2-c2nn[n-]n2)c1 ZINC001573546638 946815090 /nfs/dbraw/zinc/81/50/90/946815090.db2.gz IZWVHNLADMIGBS-UHFFFAOYSA-N -1 1 386.441 1.432 20 0 GDADMM CC(=O)Nc1ccc2c(c1)CN(C(=O)Nc1ccnc(-c3nnn[n-]3)c1)CC2 ZINC001573546946 946823340 /nfs/dbraw/zinc/82/33/40/946823340.db2.gz SAIBUDVSLUXFNV-UHFFFAOYSA-N -1 1 378.396 1.810 20 0 GDADMM CC(=O)Nc1ccc2c(c1)CN(C(=O)Nc1ccnc(-c3nn[n-]n3)c1)CC2 ZINC001573546946 946823355 /nfs/dbraw/zinc/82/33/55/946823355.db2.gz SAIBUDVSLUXFNV-UHFFFAOYSA-N -1 1 378.396 1.810 20 0 GDADMM CC(=O)Nc1ccc(CC(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)cc1 ZINC001573547513 946835703 /nfs/dbraw/zinc/83/57/03/946835703.db2.gz NVYAWCOMNUDELB-UHFFFAOYSA-N -1 1 382.428 1.958 20 0 GDADMM CC(=O)Nc1ccc(CC(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)cc1 ZINC001573547513 946835712 /nfs/dbraw/zinc/83/57/12/946835712.db2.gz NVYAWCOMNUDELB-UHFFFAOYSA-N -1 1 382.428 1.958 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1nc2c(s1)CCC2 ZINC000824998977 947032532 /nfs/dbraw/zinc/03/25/32/947032532.db2.gz BHDHMGSEXXDKEV-NSHDSACASA-N -1 1 383.485 1.313 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1nc2c(s1)CCC2 ZINC000824998977 947032546 /nfs/dbraw/zinc/03/25/46/947032546.db2.gz BHDHMGSEXXDKEV-NSHDSACASA-N -1 1 383.485 1.313 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1nc2c(s1)CCCC2 ZINC000825000424 947035548 /nfs/dbraw/zinc/03/55/48/947035548.db2.gz QEYSNZDSMLRMMF-GFCCVEGCSA-N -1 1 397.512 1.703 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1nc2c(s1)CCCC2 ZINC000825000424 947035557 /nfs/dbraw/zinc/03/55/57/947035557.db2.gz QEYSNZDSMLRMMF-GFCCVEGCSA-N -1 1 397.512 1.703 20 0 GDADMM CC[C@](C)(CC(=O)OC)NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000825043384 947059300 /nfs/dbraw/zinc/05/93/00/947059300.db2.gz GUJZJNWYIJZNNF-OAHLLOKOSA-N -1 1 380.430 1.151 20 0 GDADMM CC[C@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)[C@H](O)c1c(F)cccc1F ZINC000825132974 947091132 /nfs/dbraw/zinc/09/11/32/947091132.db2.gz GOZNRGKZMGXAAP-ZBEGNZNMSA-N -1 1 392.366 1.612 20 0 GDADMM CC[C@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)[C@H](O)c1c(F)cccc1F ZINC000825132974 947091139 /nfs/dbraw/zinc/09/11/39/947091139.db2.gz GOZNRGKZMGXAAP-ZBEGNZNMSA-N -1 1 392.366 1.612 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)Nc2cc(F)ccc2F)c1-c1nn[n-]n1 ZINC000825565092 947223990 /nfs/dbraw/zinc/22/39/90/947223990.db2.gz LRBUPXLYRAFCGD-UHFFFAOYSA-N -1 1 377.311 1.157 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)N[C@@H](C)c2ccccc2OC)c1-c1nn[n-]n1 ZINC000825565106 947224152 /nfs/dbraw/zinc/22/41/52/947224152.db2.gz LUWWEGZKHUKEDG-NSHDSACASA-N -1 1 399.411 1.126 20 0 GDADMM CCOC(=O)c1cnn(Cc2nc3c(cccc3F)n2CC)c1-c1nn[n-]n1 ZINC000825570296 947231052 /nfs/dbraw/zinc/23/10/52/947231052.db2.gz HNYNXTMTLUJVSK-UHFFFAOYSA-N -1 1 384.375 1.797 20 0 GDADMM C=C/C(C)=C/CC(=O)N[C@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001573315972 947262512 /nfs/dbraw/zinc/26/25/12/947262512.db2.gz DTYSSZWZRRSCFD-HIICFIELSA-N -1 1 380.456 1.654 20 0 GDADMM C=C/C(C)=C/CC(=O)N[C@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001573315972 947262522 /nfs/dbraw/zinc/26/25/22/947262522.db2.gz DTYSSZWZRRSCFD-HIICFIELSA-N -1 1 380.456 1.654 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H](C)c1cccc(F)c1 ZINC001573587308 947305378 /nfs/dbraw/zinc/30/53/78/947305378.db2.gz ZHZQVIYJCUYHMY-VXGBXAGGSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H](C)c1cccc(F)c1 ZINC001573587308 947305395 /nfs/dbraw/zinc/30/53/95/947305395.db2.gz ZHZQVIYJCUYHMY-VXGBXAGGSA-N -1 1 384.419 1.858 20 0 GDADMM CCn1nccc1NC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000825806952 947338014 /nfs/dbraw/zinc/33/80/14/947338014.db2.gz KYXIGCNHLQAXFO-UHFFFAOYSA-N -1 1 398.431 1.303 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cccc2c1ccn2C ZINC000825933813 947375481 /nfs/dbraw/zinc/37/54/81/947375481.db2.gz GLBBSAVGZZUJSD-UHFFFAOYSA-N -1 1 379.428 1.369 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cccc2c1ccn2C ZINC000825933813 947375493 /nfs/dbraw/zinc/37/54/93/947375493.db2.gz GLBBSAVGZZUJSD-UHFFFAOYSA-N -1 1 379.428 1.369 20 0 GDADMM C[C@@H](C(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)nn1)c1cccs1 ZINC001573597361 947436448 /nfs/dbraw/zinc/43/64/48/947436448.db2.gz OAMAZZQPQJBFQF-GFCCVEGCSA-N -1 1 386.485 1.807 20 0 GDADMM C[C@@H](C(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)nn1)c1cccs1 ZINC001573597361 947436454 /nfs/dbraw/zinc/43/64/54/947436454.db2.gz OAMAZZQPQJBFQF-GFCCVEGCSA-N -1 1 386.485 1.807 20 0 GDADMM C[C@H](C(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)nn1)c1cccs1 ZINC001573597363 947438071 /nfs/dbraw/zinc/43/80/71/947438071.db2.gz OAMAZZQPQJBFQF-LBPRGKRZSA-N -1 1 386.485 1.807 20 0 GDADMM C[C@H](C(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)nn1)c1cccs1 ZINC001573597363 947438078 /nfs/dbraw/zinc/43/80/78/947438078.db2.gz OAMAZZQPQJBFQF-LBPRGKRZSA-N -1 1 386.485 1.807 20 0 GDADMM C[C@H](C(=O)N(C)CCN(C)c1nccnc1-c1nnn[n-]1)c1cccc(F)c1 ZINC001573601726 947462777 /nfs/dbraw/zinc/46/27/77/947462777.db2.gz AYQMUCSVHHQSTB-LBPRGKRZSA-N -1 1 384.419 1.494 20 0 GDADMM C[C@H](C(=O)N(C)CCN(C)c1nccnc1-c1nn[n-]n1)c1cccc(F)c1 ZINC001573601726 947462786 /nfs/dbraw/zinc/46/27/86/947462786.db2.gz AYQMUCSVHHQSTB-LBPRGKRZSA-N -1 1 384.419 1.494 20 0 GDADMM COCCn1ncc2ccc(NC(=O)Cc3noc(C)c3-c3nnn[n-]3)cc21 ZINC000826163741 947514509 /nfs/dbraw/zinc/51/45/09/947514509.db2.gz JGNIWUUQINXWJT-UHFFFAOYSA-N -1 1 382.384 1.340 20 0 GDADMM COCCn1ncc2ccc(NC(=O)Cc3noc(C)c3-c3nn[n-]n3)cc21 ZINC000826163741 947514514 /nfs/dbraw/zinc/51/45/14/947514514.db2.gz JGNIWUUQINXWJT-UHFFFAOYSA-N -1 1 382.384 1.340 20 0 GDADMM C[C@@H](C(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1)c1c(F)cccc1F ZINC001573605348 947529356 /nfs/dbraw/zinc/52/93/56/947529356.db2.gz WOQVWWRYDMSCDP-SNVBAGLBSA-N -1 1 388.382 1.609 20 0 GDADMM C[C@@H](C(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1)c1c(F)cccc1F ZINC001573605348 947529369 /nfs/dbraw/zinc/52/93/69/947529369.db2.gz WOQVWWRYDMSCDP-SNVBAGLBSA-N -1 1 388.382 1.609 20 0 GDADMM C[C@@H](C(=O)N1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C(C)(C)C1)C(F)(F)F ZINC001573613684 947569421 /nfs/dbraw/zinc/56/94/21/947569421.db2.gz GOSCIFRANWWTFA-WPRPVWTQSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@@H](C(=O)N1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C(C)(C)C1)C(F)(F)F ZINC001573613684 947569433 /nfs/dbraw/zinc/56/94/33/947569433.db2.gz GOSCIFRANWWTFA-WPRPVWTQSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@@H](C(=O)N1CCC(C)(Nc2cncc(-c3nnn[n-]3)n2)CC1)n1cccc1 ZINC001573613829 947570700 /nfs/dbraw/zinc/57/07/00/947570700.db2.gz AKZZHQXXPOSPOG-ZDUSSCGKSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@@H](C(=O)N1CCC(C)(Nc2cncc(-c3nn[n-]n3)n2)CC1)n1cccc1 ZINC001573613829 947570707 /nfs/dbraw/zinc/57/07/07/947570707.db2.gz AKZZHQXXPOSPOG-ZDUSSCGKSA-N -1 1 381.444 1.512 20 0 GDADMM COc1ccc(C2(NC(=O)Cc3noc(C)c3-c3nnn[n-]3)CCOCC2)cc1 ZINC000826189790 947579205 /nfs/dbraw/zinc/57/92/05/947579205.db2.gz FCGGQWHVWUOBSS-UHFFFAOYSA-N -1 1 398.423 1.536 20 0 GDADMM COc1ccc(C2(NC(=O)Cc3noc(C)c3-c3nn[n-]n3)CCOCC2)cc1 ZINC000826189790 947579211 /nfs/dbraw/zinc/57/92/11/947579211.db2.gz FCGGQWHVWUOBSS-UHFFFAOYSA-N -1 1 398.423 1.536 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CN(C)c2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001573614767 947590296 /nfs/dbraw/zinc/59/02/96/947590296.db2.gz GXGHMXDWMBPOMY-VHSXEESVSA-N -1 1 384.366 1.140 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CN(C)c2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001573614767 947590305 /nfs/dbraw/zinc/59/03/05/947590305.db2.gz GXGHMXDWMBPOMY-VHSXEESVSA-N -1 1 384.366 1.140 20 0 GDADMM C=Cc1ccc(C(=O)N2CCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573350352 947594352 /nfs/dbraw/zinc/59/43/52/947594352.db2.gz AMTYPEKEGRAQOW-OAHLLOKOSA-N -1 1 376.424 1.438 20 0 GDADMM COc1ccc(OC(F)F)c(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)c1 ZINC000826211347 947618840 /nfs/dbraw/zinc/61/88/40/947618840.db2.gz YKJQRZJYGUHBLR-UHFFFAOYSA-N -1 1 380.311 1.954 20 0 GDADMM COc1ccc(OC(F)F)c(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)c1 ZINC000826211347 947618845 /nfs/dbraw/zinc/61/88/45/947618845.db2.gz YKJQRZJYGUHBLR-UHFFFAOYSA-N -1 1 380.311 1.954 20 0 GDADMM C[C@@H](C(=O)N1CCC(N(C)c2cnc(-c3nnn[n-]3)cn2)CC1)c1ccco1 ZINC001573617445 947637064 /nfs/dbraw/zinc/63/70/64/947637064.db2.gz LRZNMGHTYQPEHQ-GFCCVEGCSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@@H](C(=O)N1CCC(N(C)c2cnc(-c3nn[n-]n3)cn2)CC1)c1ccco1 ZINC001573617445 947637081 /nfs/dbraw/zinc/63/70/81/947637081.db2.gz LRZNMGHTYQPEHQ-GFCCVEGCSA-N -1 1 382.428 1.481 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@]2(C)CCN(c3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001573355339 947641381 /nfs/dbraw/zinc/64/13/81/947641381.db2.gz OCSKFDNQUQXBAM-IBGZPJMESA-N -1 1 376.424 1.699 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@]2(C)CCN(c3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001573355339 947641388 /nfs/dbraw/zinc/64/13/88/947641388.db2.gz OCSKFDNQUQXBAM-IBGZPJMESA-N -1 1 376.424 1.699 20 0 GDADMM C[C@H](C(=O)N1CCC(CNc2nccnc2-c2nnn[n-]2)CC1)[C@@H]1CCCO1 ZINC001573617996 947646095 /nfs/dbraw/zinc/64/60/95/947646095.db2.gz OJGWKLFPXKUOHW-JSGCOSHPSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H](C(=O)N1CCC(CNc2nccnc2-c2nn[n-]n2)CC1)[C@@H]1CCCO1 ZINC001573617996 947646104 /nfs/dbraw/zinc/64/61/04/947646104.db2.gz OJGWKLFPXKUOHW-JSGCOSHPSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1ccsc1 ZINC001573618399 947649855 /nfs/dbraw/zinc/64/98/55/947649855.db2.gz RWEOJJGPJCGTND-NWDGAFQWSA-N -1 1 384.469 1.204 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001573618996 947660496 /nfs/dbraw/zinc/66/04/96/947660496.db2.gz UWIKBJIMGNZAGB-ZJUUUORDSA-N -1 1 384.366 1.140 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001573618996 947660499 /nfs/dbraw/zinc/66/04/99/947660499.db2.gz UWIKBJIMGNZAGB-ZJUUUORDSA-N -1 1 384.366 1.140 20 0 GDADMM C=Cc1ccc(C(=O)NCC[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)cc1 ZINC001573359724 947689553 /nfs/dbraw/zinc/68/95/53/947689553.db2.gz ZKFMCRMRVGTWJP-HNNXBMFYSA-N -1 1 390.451 1.946 20 0 GDADMM C=Cc1ccc(C(=O)NCC[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)cc1 ZINC001573359724 947689562 /nfs/dbraw/zinc/68/95/62/947689562.db2.gz ZKFMCRMRVGTWJP-HNNXBMFYSA-N -1 1 390.451 1.946 20 0 GDADMM C/C(=C\C(=O)NC1CC2(C1)CC(Nc1ccc(-c3nnn[n-]3)nn1)C2)C1CC1 ZINC001573361562 947691431 /nfs/dbraw/zinc/69/14/31/947691431.db2.gz BOLPHQRAEIMJNG-IZZDOVSWSA-N -1 1 380.456 1.852 20 0 GDADMM C/C(=C\C(=O)NC1CC2(C1)CC(Nc1ccc(-c3nn[n-]n3)nn1)C2)C1CC1 ZINC001573361562 947691441 /nfs/dbraw/zinc/69/14/41/947691441.db2.gz BOLPHQRAEIMJNG-IZZDOVSWSA-N -1 1 380.456 1.852 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1F ZINC001573626549 947709089 /nfs/dbraw/zinc/70/90/89/947709089.db2.gz VDMZHBOQOMVBCR-RYUDHWBXSA-N -1 1 382.403 1.612 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1F ZINC001573626549 947709099 /nfs/dbraw/zinc/70/90/99/947709099.db2.gz VDMZHBOQOMVBCR-RYUDHWBXSA-N -1 1 382.403 1.612 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1F ZINC001573626548 947709169 /nfs/dbraw/zinc/70/91/69/947709169.db2.gz VDMZHBOQOMVBCR-NWDGAFQWSA-N -1 1 382.403 1.612 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1F ZINC001573626548 947709180 /nfs/dbraw/zinc/70/91/80/947709180.db2.gz VDMZHBOQOMVBCR-NWDGAFQWSA-N -1 1 382.403 1.612 20 0 GDADMM CC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C)cc1-c1nn[nH]n1)c1ccccc1F ZINC001573364479 947721198 /nfs/dbraw/zinc/72/11/98/947721198.db2.gz HBNSSHGXASNNMG-INIZCTEOSA-N -1 1 389.412 1.923 20 0 GDADMM C[C@H](C(=O)N1CC[C@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1)C1CCC1 ZINC001573627785 947733769 /nfs/dbraw/zinc/73/37/69/947733769.db2.gz CJTJJWAEHMRGDG-DJJJIMSYSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H](C(=O)N1CC[C@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1)C1CCC1 ZINC001573627785 947733774 /nfs/dbraw/zinc/73/37/74/947733774.db2.gz CJTJJWAEHMRGDG-DJJJIMSYSA-N -1 1 382.472 1.522 20 0 GDADMM CC(=O)CCCC(=O)N(C)[C@@H](C)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001573366037 947737359 /nfs/dbraw/zinc/73/73/59/947737359.db2.gz OXUCYLBFOVMCQZ-QMMMGPOBSA-N -1 1 385.881 1.995 20 0 GDADMM CC(=O)CCCC(=O)N(C)[C@@H](C)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001573366037 947737366 /nfs/dbraw/zinc/73/73/66/947737366.db2.gz OXUCYLBFOVMCQZ-QMMMGPOBSA-N -1 1 385.881 1.995 20 0 GDADMM C[C@H](C(=O)N1CC[C@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1)C(C)(C)C ZINC001573628013 947742546 /nfs/dbraw/zinc/74/25/46/947742546.db2.gz FBRBETJILGWGMR-YJYMSZOUSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cccs1 ZINC001573628002 947743533 /nfs/dbraw/zinc/74/35/33/947743533.db2.gz DYARCSNWXCWCSC-RYUDHWBXSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cccs1 ZINC001573628002 947743542 /nfs/dbraw/zinc/74/35/42/947743542.db2.gz DYARCSNWXCWCSC-RYUDHWBXSA-N -1 1 384.469 1.925 20 0 GDADMM C/C(=C\C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001573367030 947751745 /nfs/dbraw/zinc/75/17/45/947751745.db2.gz ZQQSAHAEYBRZED-BOXZDTQESA-N -1 1 380.456 1.583 20 0 GDADMM C/C(=C\C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001573367030 947751757 /nfs/dbraw/zinc/75/17/57/947751757.db2.gz ZQQSAHAEYBRZED-BOXZDTQESA-N -1 1 380.456 1.583 20 0 GDADMM Cc1cc(C)n(-c2ccc(NC(=O)Cc3noc(C)c3-c3nnn[n-]3)cn2)n1 ZINC000826264851 947764155 /nfs/dbraw/zinc/76/41/55/947764155.db2.gz CCILUKXOIBLBMN-UHFFFAOYSA-N -1 1 379.384 1.542 20 0 GDADMM Cc1cc(C)n(-c2ccc(NC(=O)Cc3noc(C)c3-c3nn[n-]n3)cn2)n1 ZINC000826264851 947764159 /nfs/dbraw/zinc/76/41/59/947764159.db2.gz CCILUKXOIBLBMN-UHFFFAOYSA-N -1 1 379.384 1.542 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@@H]1[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573372792 947782379 /nfs/dbraw/zinc/78/23/79/947782379.db2.gz CMNPIEJYSPHLMF-ZIAGYGMSSA-N -1 1 386.460 1.019 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]2[C@H]1CCN2c1nccnc1-c1nnn[n-]1)C1CCC1 ZINC001573629777 947784398 /nfs/dbraw/zinc/78/43/98/947784398.db2.gz VNLDCVWGUHXXAD-NWANDNLSSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]2[C@H]1CCN2c1nccnc1-c1nn[n-]n1)C1CCC1 ZINC001573629777 947784402 /nfs/dbraw/zinc/78/44/02/947784402.db2.gz VNLDCVWGUHXXAD-NWANDNLSSA-N -1 1 382.472 1.663 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)[C@H](C)C1 ZINC001573372991 947788402 /nfs/dbraw/zinc/78/84/02/947788402.db2.gz GTFNKTNSRCIYOB-TZMCWYRMSA-N -1 1 386.460 1.313 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)[C@H](C)C1 ZINC001573372991 947788409 /nfs/dbraw/zinc/78/84/09/947788409.db2.gz GTFNKTNSRCIYOB-TZMCWYRMSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001573630161 947788567 /nfs/dbraw/zinc/78/85/67/947788567.db2.gz QZZZQQHIYXLZAR-ZIAGYGMSSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001573630161 947788576 /nfs/dbraw/zinc/78/85/76/947788576.db2.gz QZZZQQHIYXLZAR-ZIAGYGMSSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1)n1cccc1 ZINC001573630275 947791048 /nfs/dbraw/zinc/79/10/48/947791048.db2.gz XMHCDIRBKSYICB-KGLIPLIRSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1)n1cccc1 ZINC001573630275 947791056 /nfs/dbraw/zinc/79/10/56/947791056.db2.gz XMHCDIRBKSYICB-KGLIPLIRSA-N -1 1 381.444 1.147 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)[C@H]1C ZINC001573373528 947795812 /nfs/dbraw/zinc/79/58/12/947795812.db2.gz DDTUBKVNLOUTPD-QWHCGFSZSA-N -1 1 391.501 1.864 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001573631339 947799039 /nfs/dbraw/zinc/79/90/39/947799039.db2.gz UQZQNWPVQIGYNB-QWHCGFSZSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001573631339 947799049 /nfs/dbraw/zinc/79/90/49/947799049.db2.gz UQZQNWPVQIGYNB-QWHCGFSZSA-N -1 1 382.428 1.481 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@H](C)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001573375223 947817839 /nfs/dbraw/zinc/81/78/39/947817839.db2.gz RRTVHXQNQIBCFP-SWLSCSKDSA-N -1 1 386.460 1.455 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@H](C)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001573375223 947817844 /nfs/dbraw/zinc/81/78/44/947817844.db2.gz RRTVHXQNQIBCFP-SWLSCSKDSA-N -1 1 386.460 1.455 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](C)[C@H]1CCCNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573637630 947818724 /nfs/dbraw/zinc/81/87/24/947818724.db2.gz LGORZUDXGUMXAY-IJEWVQPXSA-N -1 1 398.515 1.944 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ccsc1 ZINC001573638962 947846228 /nfs/dbraw/zinc/84/62/28/947846228.db2.gz ZKTCLHJNYNQWCO-YPMHNXCESA-N -1 1 384.469 1.925 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ccsc1 ZINC001573638962 947846236 /nfs/dbraw/zinc/84/62/36/947846236.db2.gz ZKTCLHJNYNQWCO-YPMHNXCESA-N -1 1 384.469 1.925 20 0 GDADMM CC(=O)CCCC(=O)N[C@H](C)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573377740 947853326 /nfs/dbraw/zinc/85/33/26/947853326.db2.gz SIGPEIPDMSODJB-KGLIPLIRSA-N -1 1 386.460 1.137 20 0 GDADMM CC(=O)CCCC(=O)N[C@H](C)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573377740 947853333 /nfs/dbraw/zinc/85/33/33/947853333.db2.gz SIGPEIPDMSODJB-KGLIPLIRSA-N -1 1 386.460 1.137 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1)C1CCCC1 ZINC001573647139 947883991 /nfs/dbraw/zinc/88/39/91/947883991.db2.gz DBAZUGCFKAWUMS-AEGPPILISA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1)C1CCCC1 ZINC001573647139 947883997 /nfs/dbraw/zinc/88/39/97/947883997.db2.gz DBAZUGCFKAWUMS-AEGPPILISA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@]2(C)C1)C(C)(C)C ZINC001573650752 947912815 /nfs/dbraw/zinc/91/28/15/947912815.db2.gz DQCRJBNPJFNOOI-VPZZIHKRSA-N -1 1 384.488 1.624 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@]2(C)C1)C(C)(C)C ZINC001573650752 947912824 /nfs/dbraw/zinc/91/28/24/947912824.db2.gz DQCRJBNPJFNOOI-VPZZIHKRSA-N -1 1 384.488 1.624 20 0 GDADMM C[C@H](C(=O)N=[S@@](C)(=O)c1cccc(Cl)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001573651032 947918083 /nfs/dbraw/zinc/91/80/83/947918083.db2.gz IMABSOAQNXWYFV-NRYVIMAVSA-N -1 1 380.821 1.356 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1)C(C)(C)C ZINC001573651525 947921414 /nfs/dbraw/zinc/92/14/14/947921414.db2.gz NEQLCIHNXCWSCY-MJBXVCDLSA-N -1 1 384.488 1.624 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1)C(C)(C)C ZINC001573651525 947921422 /nfs/dbraw/zinc/92/14/22/947921422.db2.gz NEQLCIHNXCWSCY-MJBXVCDLSA-N -1 1 384.488 1.624 20 0 GDADMM C[C@H](C(=O)N[C@@](C)(CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)C(C)(F)F ZINC001573652104 947930330 /nfs/dbraw/zinc/93/03/30/947930330.db2.gz AWHRSWBGOWUQTD-PSLIRLAXSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@H](C(=O)N[C@@](C)(CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)C(C)(F)F ZINC001573652104 947930340 /nfs/dbraw/zinc/93/03/40/947930340.db2.gz AWHRSWBGOWUQTD-PSLIRLAXSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CCCCC1)C1CC1 ZINC001573655223 947976334 /nfs/dbraw/zinc/97/63/34/947976334.db2.gz WNUCFHDREUIIRW-DOMZBBRYSA-N -1 1 384.488 1.602 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)c1cccs1 ZINC001573655270 947977939 /nfs/dbraw/zinc/97/79/39/947977939.db2.gz WSQYMFPFRXYFHX-GXFFZTMASA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)c1cccs1 ZINC001573655270 947977946 /nfs/dbraw/zinc/97/79/46/947977946.db2.gz WSQYMFPFRXYFHX-GXFFZTMASA-N -1 1 384.469 1.829 20 0 GDADMM Cc1onc(CC(=O)N(C)CC(=O)Nc2cc(F)cc(F)c2)c1-c1nnn[n-]1 ZINC000826343185 947988954 /nfs/dbraw/zinc/98/89/54/947988954.db2.gz QBRRTIWOGWGDPO-UHFFFAOYSA-N -1 1 391.338 1.081 20 0 GDADMM Cc1onc(CC(=O)N(C)CC(=O)Nc2cc(F)cc(F)c2)c1-c1nn[n-]n1 ZINC000826343185 947988964 /nfs/dbraw/zinc/98/89/64/947988964.db2.gz QBRRTIWOGWGDPO-UHFFFAOYSA-N -1 1 391.338 1.081 20 0 GDADMM Cc1onc(CC(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1-c1nnn[n-]1 ZINC000826344335 948004445 /nfs/dbraw/zinc/00/44/45/948004445.db2.gz DZGJNQNYWORULR-SNVBAGLBSA-N -1 1 391.432 1.173 20 0 GDADMM Cc1onc(CC(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1-c1nn[n-]n1 ZINC000826344335 948004456 /nfs/dbraw/zinc/00/44/56/948004456.db2.gz DZGJNQNYWORULR-SNVBAGLBSA-N -1 1 391.432 1.173 20 0 GDADMM C[C@H](C(=O)NC1(C)CCN(c2nccnc2-c2nnn[n-]2)CC1)C1CCCC1 ZINC001573658649 948008726 /nfs/dbraw/zinc/00/87/26/948008726.db2.gz SPNSIVDFVQNNRZ-ZDUSSCGKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](C(=O)NC1(C)CCN(c2nccnc2-c2nn[n-]n2)CC1)C1CCCC1 ZINC001573658649 948008733 /nfs/dbraw/zinc/00/87/33/948008733.db2.gz SPNSIVDFVQNNRZ-ZDUSSCGKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](C(=O)N[C@@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccsc1 ZINC001573659123 948013810 /nfs/dbraw/zinc/01/38/10/948013810.db2.gz VNRPSNWMPUNVLD-GTNSWQLSSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)N[C@@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccsc1 ZINC001573659123 948013814 /nfs/dbraw/zinc/01/38/14/948013814.db2.gz VNRPSNWMPUNVLD-GTNSWQLSSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NC1(C)CCN(c2nccnc2-c2nnn[n-]2)CC1)C(F)(F)F ZINC001573659524 948015697 /nfs/dbraw/zinc/01/56/97/948015697.db2.gz WKRCZJUTJVKBKT-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](C(=O)NC1(C)CCN(c2nccnc2-c2nn[n-]n2)CC1)C(F)(F)F ZINC001573659524 948015707 /nfs/dbraw/zinc/01/57/07/948015707.db2.gz WKRCZJUTJVKBKT-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](C)CC(=O)OCc2ccccc2)c1-c1nnn[n-]1 ZINC000826345038 948017893 /nfs/dbraw/zinc/01/78/93/948017893.db2.gz AAQRLSDWYLRCOO-NSHDSACASA-N -1 1 384.396 1.344 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](C)CC(=O)OCc2ccccc2)c1-c1nn[n-]n1 ZINC000826345038 948017902 /nfs/dbraw/zinc/01/79/02/948017902.db2.gz AAQRLSDWYLRCOO-NSHDSACASA-N -1 1 384.396 1.344 20 0 GDADMM C[C@H](C(=O)N[C@@]12CCC[C@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2)C1CCC1 ZINC001573661756 948019694 /nfs/dbraw/zinc/01/96/94/948019694.db2.gz AFZLZFTXLSYKHR-BBEJJTJUSA-N -1 1 382.472 1.711 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](c2nccn2C)c2cccc(F)c2)c1-c1nnn[n-]1 ZINC000826345422 948023358 /nfs/dbraw/zinc/02/33/58/948023358.db2.gz KRMWUHWADSAKFR-MRXNPFEDSA-N -1 1 396.386 1.484 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](c2nccn2C)c2cccc(F)c2)c1-c1nn[n-]n1 ZINC000826345422 948023364 /nfs/dbraw/zinc/02/33/64/948023364.db2.gz KRMWUHWADSAKFR-MRXNPFEDSA-N -1 1 396.386 1.484 20 0 GDADMM Cc1onc(CC(=O)N[C@H](C)[C@@H](O)c2c(F)cccc2Cl)c1-c1nnn[n-]1 ZINC000826345387 948023616 /nfs/dbraw/zinc/02/36/16/948023616.db2.gz KHZRGKCVEHNQCM-KWKYVRJSSA-N -1 1 394.794 1.736 20 0 GDADMM Cc1onc(CC(=O)N[C@H](C)[C@@H](O)c2c(F)cccc2Cl)c1-c1nn[n-]n1 ZINC000826345387 948023625 /nfs/dbraw/zinc/02/36/25/948023625.db2.gz KHZRGKCVEHNQCM-KWKYVRJSSA-N -1 1 394.794 1.736 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)c1-c1nnn[n-]1 ZINC000826345787 948030934 /nfs/dbraw/zinc/03/09/34/948030934.db2.gz UPXQSTKTJXPIJY-PBHICJAKSA-N -1 1 386.387 1.881 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)c1-c1nn[n-]n1 ZINC000826345787 948030944 /nfs/dbraw/zinc/03/09/44/948030944.db2.gz UPXQSTKTJXPIJY-PBHICJAKSA-N -1 1 386.387 1.881 20 0 GDADMM Cc1onc(CC(=O)N[C@H]2CCN(c3ncccc3Cl)C2)c1-c1nnn[n-]1 ZINC000826346430 948040406 /nfs/dbraw/zinc/04/04/06/948040406.db2.gz MBNLOAUHDGBNOS-JTQLQIEISA-N -1 1 388.819 1.149 20 0 GDADMM Cc1onc(CC(=O)N[C@H]2CCN(c3ncccc3Cl)C2)c1-c1nn[n-]n1 ZINC000826346430 948040414 /nfs/dbraw/zinc/04/04/14/948040414.db2.gz MBNLOAUHDGBNOS-JTQLQIEISA-N -1 1 388.819 1.149 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1)C1CCCC1 ZINC001573664449 948055651 /nfs/dbraw/zinc/05/56/51/948055651.db2.gz DNAJRDNWKLCLGP-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1)C1CCCC1 ZINC001573664449 948055659 /nfs/dbraw/zinc/05/56/59/948055659.db2.gz DNAJRDNWKLCLGP-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM Cc1onc(CC(=O)NCc2cccc(OCC(F)F)c2)c1-c1nnn[n-]1 ZINC000826348195 948067908 /nfs/dbraw/zinc/06/79/08/948067908.db2.gz ZYPOILYNGZTVQR-UHFFFAOYSA-N -1 1 378.339 1.666 20 0 GDADMM Cc1onc(CC(=O)NCc2cccc(OCC(F)F)c2)c1-c1nn[n-]n1 ZINC000826348195 948067912 /nfs/dbraw/zinc/06/79/12/948067912.db2.gz ZYPOILYNGZTVQR-UHFFFAOYSA-N -1 1 378.339 1.666 20 0 GDADMM C[C@H](C(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)c1cccs1 ZINC001573675239 948120607 /nfs/dbraw/zinc/12/06/07/948120607.db2.gz PIPDBRBFPWCFIB-NSHDSACASA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)NC[C@H](CO)Nc1snc(Cl)c1-c1nnn[n-]1)C1CCC1 ZINC001573679445 948161967 /nfs/dbraw/zinc/16/19/67/948161967.db2.gz IWKWMXYPFOYREN-VXNVDRBHSA-N -1 1 385.881 1.302 20 0 GDADMM C[C@@H](C(=O)NC[C@H](CO)Nc1snc(Cl)c1-c1nn[n-]n1)C1CCC1 ZINC001573679445 948161970 /nfs/dbraw/zinc/16/19/70/948161970.db2.gz IWKWMXYPFOYREN-VXNVDRBHSA-N -1 1 385.881 1.302 20 0 GDADMM C[C@H](C(=O)NC[C@H](CO)Nc1nc(-c2nn[n-]n2)c(Cl)s1)C1CCC1 ZINC001573680503 948180638 /nfs/dbraw/zinc/18/06/38/948180638.db2.gz OFKCRNCVFWFZBZ-IONNQARKSA-N -1 1 385.881 1.302 20 0 GDADMM C[C@@H](C(=O)NC[C@H](O)CNc1nc(Cl)c(-c2nnn[n-]2)s1)C(C)(C)C ZINC001573692202 948259580 /nfs/dbraw/zinc/25/95/80/948259580.db2.gz NBBIORCRKFTMFM-YUMQZZPRSA-N -1 1 387.897 1.548 20 0 GDADMM C[C@@H](C(=O)NC[C@H](O)CNc1nc(Cl)c(-c2nn[n-]n2)s1)C(C)(C)C ZINC001573692202 948259589 /nfs/dbraw/zinc/25/95/89/948259589.db2.gz NBBIORCRKFTMFM-YUMQZZPRSA-N -1 1 387.897 1.548 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCOCc1ccc(Cl)cc1Cl ZINC000826425729 948274993 /nfs/dbraw/zinc/27/49/93/948274993.db2.gz QNMCAWKURCNDDS-UHFFFAOYSA-N -1 1 397.226 1.098 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(C)(F)F ZINC001573701522 948339066 /nfs/dbraw/zinc/33/90/66/948339066.db2.gz AOWBJFRGKQLNHN-WDEREUQCSA-N -1 1 380.403 1.281 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(C)(F)F ZINC001573701522 948339073 /nfs/dbraw/zinc/33/90/73/948339073.db2.gz AOWBJFRGKQLNHN-WDEREUQCSA-N -1 1 380.403 1.281 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001573703562 948355816 /nfs/dbraw/zinc/35/58/16/948355816.db2.gz KXRCQTDMXQSOLB-OLZOCXBDSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001573703562 948355826 /nfs/dbraw/zinc/35/58/26/948355826.db2.gz KXRCQTDMXQSOLB-OLZOCXBDSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)C(C)(F)F ZINC001573704447 948373357 /nfs/dbraw/zinc/37/33/57/948373357.db2.gz SJMVZZQQWABVAM-MNOVXSKESA-N -1 1 380.403 1.281 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)C(C)(F)F ZINC001573704447 948373361 /nfs/dbraw/zinc/37/33/61/948373361.db2.gz SJMVZZQQWABVAM-MNOVXSKESA-N -1 1 380.403 1.281 20 0 GDADMM C[C@H](C(=O)NCCC1(CNc2ccnc(-c3nn[n-]n3)n2)CC1)C(C)(F)F ZINC001573705431 948400799 /nfs/dbraw/zinc/40/07/99/948400799.db2.gz FQBFHEYIIOJCND-SNVBAGLBSA-N -1 1 380.403 1.068 20 0 GDADMM O=S(=O)(N[C@H]1CCCOCC1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826488088 948402430 /nfs/dbraw/zinc/40/24/30/948402430.db2.gz HZEXDBMPVXZCRW-JTQLQIEISA-N -1 1 391.375 1.733 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C)c1cccnc1 ZINC001573727946 948557202 /nfs/dbraw/zinc/55/72/02/948557202.db2.gz NNTGRGAGYFFSNT-UMVBOHGHSA-N -1 1 393.455 1.044 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C)c1ccsc1 ZINC001573745271 948671447 /nfs/dbraw/zinc/67/14/47/948671447.db2.gz DPAXXGUYVYMUJC-LOWVWBTDSA-N -1 1 384.469 1.605 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C)c1ccsc1 ZINC001573745271 948671453 /nfs/dbraw/zinc/67/14/53/948671453.db2.gz DPAXXGUYVYMUJC-LOWVWBTDSA-N -1 1 384.469 1.605 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CC1)C(C)(F)F ZINC001573745963 948676000 /nfs/dbraw/zinc/67/60/00/948676000.db2.gz ICJPIKUFQHSUBU-DCAQKATOSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CC1)C(C)(F)F ZINC001573745963 948676010 /nfs/dbraw/zinc/67/60/10/948676010.db2.gz ICJPIKUFQHSUBU-DCAQKATOSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1cccs1 ZINC001573749510 948700721 /nfs/dbraw/zinc/70/07/21/948700721.db2.gz ZXLNEBXVNGBMFQ-SRVKXCTJSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573749510 948700724 /nfs/dbraw/zinc/70/07/24/948700724.db2.gz ZXLNEBXVNGBMFQ-SRVKXCTJSA-N -1 1 384.469 1.829 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@H](C)[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)cn1 ZINC001574416532 948750096 /nfs/dbraw/zinc/75/00/96/948750096.db2.gz XDRBOIOJHTWXAV-NWDGAFQWSA-N -1 1 381.444 1.794 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@H](C)[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)cn1 ZINC001574416532 948750110 /nfs/dbraw/zinc/75/01/10/948750110.db2.gz XDRBOIOJHTWXAV-NWDGAFQWSA-N -1 1 381.444 1.794 20 0 GDADMM CC(F)(F)C1(C(=O)NC2CCC(Nc3ccc(-c4nnn[n-]4)nn3)CC2)CC1 ZINC001575221780 948753093 /nfs/dbraw/zinc/75/30/93/948753093.db2.gz CJMKCNASAKIJPR-UHFFFAOYSA-N -1 1 392.414 1.931 20 0 GDADMM CC(F)(F)C1(C(=O)NC2CCC(Nc3ccc(-c4nn[n-]n4)nn3)CC2)CC1 ZINC001575221780 948753102 /nfs/dbraw/zinc/75/31/02/948753102.db2.gz CJMKCNASAKIJPR-UHFFFAOYSA-N -1 1 392.414 1.931 20 0 GDADMM CC(F)(F)C1(C(=O)NCCC2(CNc3cnc(-c4nnn[n-]4)cn3)CC2)CC1 ZINC001575222211 948755378 /nfs/dbraw/zinc/75/53/78/948755378.db2.gz GPEPXDILDBJSFX-UHFFFAOYSA-N -1 1 392.414 1.791 20 0 GDADMM CC(F)(F)C1(C(=O)NCCC2(CNc3cnc(-c4nn[n-]n4)cn3)CC2)CC1 ZINC001575222211 948755391 /nfs/dbraw/zinc/75/53/91/948755391.db2.gz GPEPXDILDBJSFX-UHFFFAOYSA-N -1 1 392.414 1.791 20 0 GDADMM CC(C)[C@H](NC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1)c1nncn1C ZINC001574078568 948758168 /nfs/dbraw/zinc/75/81/68/948758168.db2.gz DYPJMVBATGJKOY-LURJTMIESA-N -1 1 382.841 1.624 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)Cc1ccc2n[nH]cc2c1 ZINC001574678820 948758370 /nfs/dbraw/zinc/75/83/70/948758370.db2.gz JKZYUGXLXKEOSI-LLVKDONJSA-N -1 1 392.427 1.082 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCC(Nc3ccc(-c4nnn[n-]4)nn3)CC2)CC1 ZINC001575222786 948758376 /nfs/dbraw/zinc/75/83/76/948758376.db2.gz KBKQHRYSUZGNHM-UHFFFAOYSA-N -1 1 378.387 1.495 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCC(Nc3ccc(-c4nn[n-]n4)nn3)CC2)CC1 ZINC001575222786 948758386 /nfs/dbraw/zinc/75/83/86/948758386.db2.gz KBKQHRYSUZGNHM-UHFFFAOYSA-N -1 1 378.387 1.495 20 0 GDADMM CC(F)(F)C1(C(=O)N2CC[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001575223443 948767899 /nfs/dbraw/zinc/76/78/99/948767899.db2.gz PBVGEFQXMKPNJO-JTQLQIEISA-N -1 1 378.387 1.353 20 0 GDADMM CC(F)(F)C1(C(=O)N2CC[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575223443 948767913 /nfs/dbraw/zinc/76/79/13/948767913.db2.gz PBVGEFQXMKPNJO-JTQLQIEISA-N -1 1 378.387 1.353 20 0 GDADMM CC(C)[C@H](F)C(=O)N[C@H]1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574079581 948771498 /nfs/dbraw/zinc/77/14/98/948771498.db2.gz KYHFZLSXCLBVMU-HUBLWGQQSA-N -1 1 376.440 1.738 20 0 GDADMM CC(C)[C@H](F)C(=O)N[C@H]1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574079581 948771509 /nfs/dbraw/zinc/77/15/09/948771509.db2.gz KYHFZLSXCLBVMU-HUBLWGQQSA-N -1 1 376.440 1.738 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CC[C@H](CNc3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001575224470 948788278 /nfs/dbraw/zinc/78/82/78/948788278.db2.gz WKOPQYRPMWGZLE-WDEREUQCSA-N -1 1 392.414 1.789 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CC[C@H](CNc3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001575224470 948788286 /nfs/dbraw/zinc/78/82/86/948788286.db2.gz WKOPQYRPMWGZLE-WDEREUQCSA-N -1 1 392.414 1.789 20 0 GDADMM CC(F)(F)CC(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C12CCC2 ZINC001575225152 948799696 /nfs/dbraw/zinc/79/96/96/948799696.db2.gz XFUWRKKRVPCGQE-UWVGGRQHSA-N -1 1 378.387 1.541 20 0 GDADMM CC(F)(F)CC(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C12CCC2 ZINC001575225152 948799711 /nfs/dbraw/zinc/79/97/11/948799711.db2.gz XFUWRKKRVPCGQE-UWVGGRQHSA-N -1 1 378.387 1.541 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)CC[C@H]1CC(C)(C)CO1 ZINC001574680101 948799757 /nfs/dbraw/zinc/79/97/57/948799757.db2.gz DGYRZEZRMITSPP-STQMWFEESA-N -1 1 388.476 1.559 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)CC[C@H]1CC(C)(C)CO1 ZINC001574680101 948799777 /nfs/dbraw/zinc/79/97/77/948799777.db2.gz DGYRZEZRMITSPP-STQMWFEESA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)c1ccoc1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574420858 948806670 /nfs/dbraw/zinc/80/66/70/948806670.db2.gz CBIJCUFVZGDFAE-LBPRGKRZSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)[C@@H](F)C(=O)N[C@@H](C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574080785 948806699 /nfs/dbraw/zinc/80/66/99/948806699.db2.gz NJRSSYDCGLEQLQ-XHDPSFHLSA-N -1 1 376.440 1.372 20 0 GDADMM CC(C)[C@@H](F)C(=O)N[C@@H](C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574080785 948806717 /nfs/dbraw/zinc/80/67/17/948806717.db2.gz NJRSSYDCGLEQLQ-XHDPSFHLSA-N -1 1 376.440 1.372 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@H](C)CCNc2cncc(-c3nnn[n-]3)n2)cn1 ZINC001574680925 948815596 /nfs/dbraw/zinc/81/55/96/948815596.db2.gz KENPQJRBQSCFBU-GFCCVEGCSA-N -1 1 381.444 1.796 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@H](C)CCNc2cncc(-c3nn[n-]n3)n2)cn1 ZINC001574680925 948815605 /nfs/dbraw/zinc/81/56/05/948815605.db2.gz KENPQJRBQSCFBU-GFCCVEGCSA-N -1 1 381.444 1.796 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3nc(-c4nn[n-]n4)c(Cl)s3)C[C@H]21)C1CC1 ZINC001573756692 948819419 /nfs/dbraw/zinc/81/94/19/948819419.db2.gz UJRILFCDLMONBT-PRQTWWFRSA-N -1 1 379.877 1.574 20 0 GDADMM CC(C)c1ccoc1C(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574421820 948821247 /nfs/dbraw/zinc/82/12/47/948821247.db2.gz QIJVUBGJOQTRAP-LBPRGKRZSA-N -1 1 382.428 1.629 20 0 GDADMM CC(C)c1ccoc1C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574421820 948821266 /nfs/dbraw/zinc/82/12/66/948821266.db2.gz QIJVUBGJOQTRAP-LBPRGKRZSA-N -1 1 382.428 1.629 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001575226942 948823285 /nfs/dbraw/zinc/82/32/85/948823285.db2.gz PXPCSFJCKSDDJN-MNOVXSKESA-N -1 1 378.387 1.272 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001575226942 948823305 /nfs/dbraw/zinc/82/33/05/948823305.db2.gz PXPCSFJCKSDDJN-MNOVXSKESA-N -1 1 378.387 1.272 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001575227326 948824593 /nfs/dbraw/zinc/82/45/93/948824593.db2.gz SYHFAOUZRXTQOD-MRXNPFEDSA-N -1 1 378.387 1.131 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001575227326 948824613 /nfs/dbraw/zinc/82/46/13/948824613.db2.gz SYHFAOUZRXTQOD-MRXNPFEDSA-N -1 1 378.387 1.131 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1scnc1Cl ZINC001574682163 948827431 /nfs/dbraw/zinc/82/74/31/948827431.db2.gz PEZZUTKYWJXAIN-SSDOTTSWSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1scnc1Cl ZINC001574682163 948827448 /nfs/dbraw/zinc/82/74/48/948827448.db2.gz PEZZUTKYWJXAIN-SSDOTTSWSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@@H](CNC(=O)CCCc1cccnc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574918143 948834629 /nfs/dbraw/zinc/83/46/29/948834629.db2.gz GIKGFJWEGJUYNU-ZDUSSCGKSA-N -1 1 381.444 1.016 20 0 GDADMM C[C@@H](CNC(=O)CCCc1cccnc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574918143 948834646 /nfs/dbraw/zinc/83/46/46/948834646.db2.gz GIKGFJWEGJUYNU-ZDUSSCGKSA-N -1 1 381.444 1.016 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1coc(CC2CC2)n1 ZINC001574683088 948835531 /nfs/dbraw/zinc/83/55/31/948835531.db2.gz UHNGSCUEFAKBLB-JTQLQIEISA-N -1 1 383.416 1.218 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1coc(CC2CC2)n1 ZINC001574683088 948835548 /nfs/dbraw/zinc/83/55/48/948835548.db2.gz UHNGSCUEFAKBLB-JTQLQIEISA-N -1 1 383.416 1.218 20 0 GDADMM CC(C)c1nc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)cs1 ZINC001574424119 948842126 /nfs/dbraw/zinc/84/21/26/948842126.db2.gz FPZWVXRBVRDCRZ-JTQLQIEISA-N -1 1 385.457 1.563 20 0 GDADMM CC(C)c1nc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)cs1 ZINC001574424119 948842145 /nfs/dbraw/zinc/84/21/45/948842145.db2.gz FPZWVXRBVRDCRZ-JTQLQIEISA-N -1 1 385.457 1.563 20 0 GDADMM CC(C)c1nc(C(=O)NC[C@@H](C)N(C)c2cncc(-c3nnn[n-]3)n2)cs1 ZINC001574424078 948842316 /nfs/dbraw/zinc/84/23/16/948842316.db2.gz DUYDVULJYGECIE-SNVBAGLBSA-N -1 1 387.473 1.491 20 0 GDADMM CC(C)c1nc(C(=O)NC[C@@H](C)N(C)c2cncc(-c3nn[n-]n3)n2)cs1 ZINC001574424078 948842329 /nfs/dbraw/zinc/84/23/29/948842329.db2.gz DUYDVULJYGECIE-SNVBAGLBSA-N -1 1 387.473 1.491 20 0 GDADMM CC(C)[C@H](F)C(=O)NC[C@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574082030 948845791 /nfs/dbraw/zinc/84/57/91/948845791.db2.gz ZPENFTAOWAOZOP-YDHLFZDLSA-N -1 1 390.467 1.407 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)C(F)F ZINC001573761975 948847509 /nfs/dbraw/zinc/84/75/09/948847509.db2.gz NKMUFBSBYZEHBE-PHIMTYICSA-N -1 1 392.414 1.518 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)C(F)F ZINC001573761975 948847529 /nfs/dbraw/zinc/84/75/29/948847529.db2.gz NKMUFBSBYZEHBE-PHIMTYICSA-N -1 1 392.414 1.518 20 0 GDADMM CC(F)(F)CC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C ZINC001575231911 948870544 /nfs/dbraw/zinc/87/05/44/948870544.db2.gz AMRSDKRVLHXSEG-NSHDSACASA-N -1 1 380.403 1.423 20 0 GDADMM CC(F)(F)CC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C ZINC001575231911 948870561 /nfs/dbraw/zinc/87/05/61/948870561.db2.gz AMRSDKRVLHXSEG-NSHDSACASA-N -1 1 380.403 1.423 20 0 GDADMM CC(C)(C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573764279 948884345 /nfs/dbraw/zinc/88/43/45/948884345.db2.gz LLHPYPJYFARGNE-KGLIPLIRSA-N -1 1 382.472 1.663 20 0 GDADMM CC(C)(C(=O)N1CC[C@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1)C1CC1 ZINC001573764343 948884609 /nfs/dbraw/zinc/88/46/09/948884609.db2.gz NLIVESRMZBXEMX-IBGZPJMESA-N -1 1 382.472 1.522 20 0 GDADMM CC(C)(C(=O)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)nn1)C(F)F ZINC001573764285 948887161 /nfs/dbraw/zinc/88/71/61/948887161.db2.gz LNGBYIITLSANQK-NWDGAFQWSA-N -1 1 392.414 1.518 20 0 GDADMM CC(C)(C(=O)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)nn1)C(F)F ZINC001573764285 948887172 /nfs/dbraw/zinc/88/71/72/948887172.db2.gz LNGBYIITLSANQK-NWDGAFQWSA-N -1 1 392.414 1.518 20 0 GDADMM CC(F)(F)CC(=O)NC[C@@H]1CCCCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575234225 948895154 /nfs/dbraw/zinc/89/51/54/948895154.db2.gz PVYVGXPADYYCNJ-NSHDSACASA-N -1 1 380.403 1.567 20 0 GDADMM CC(F)(F)CC(=O)NC[C@@H]1CCCCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575234225 948895167 /nfs/dbraw/zinc/89/51/67/948895167.db2.gz PVYVGXPADYYCNJ-NSHDSACASA-N -1 1 380.403 1.567 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)c1n[nH]cc1F ZINC001574685089 948903478 /nfs/dbraw/zinc/90/34/78/948903478.db2.gz SDEJYDLKLWCYEF-YFKPBYRVSA-N -1 1 385.816 1.459 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)c1n[nH]cc1F ZINC001574685089 948903490 /nfs/dbraw/zinc/90/34/90/948903490.db2.gz SDEJYDLKLWCYEF-YFKPBYRVSA-N -1 1 385.816 1.459 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ccccc1 ZINC001573765360 948906187 /nfs/dbraw/zinc/90/61/87/948906187.db2.gz ZSDZVPPYHLRTLB-CQSZACIVSA-N -1 1 378.440 1.647 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ccccc1 ZINC001573765360 948906201 /nfs/dbraw/zinc/90/62/01/948906201.db2.gz ZSDZVPPYHLRTLB-CQSZACIVSA-N -1 1 378.440 1.647 20 0 GDADMM CC[C@](O)(C[N@H+]1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-])C(F)(F)F ZINC001589572446 948916406 /nfs/dbraw/zinc/91/64/06/948916406.db2.gz DDLJYEWYUSNSRG-XLDPMVHQSA-N -1 1 380.285 1.286 20 0 GDADMM CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001573765724 948924738 /nfs/dbraw/zinc/92/47/38/948924738.db2.gz ADSXDEXAAMAJTE-GJZGRUSLSA-N -1 1 390.451 1.424 20 0 GDADMM CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001573765724 948924751 /nfs/dbraw/zinc/92/47/51/948924751.db2.gz ADSXDEXAAMAJTE-GJZGRUSLSA-N -1 1 390.451 1.424 20 0 GDADMM CC(C)c1ncsc1C(=O)N(C)[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574432528 948935587 /nfs/dbraw/zinc/93/55/87/948935587.db2.gz LXAWNMGYVSOILQ-SNVBAGLBSA-N -1 1 387.473 1.231 20 0 GDADMM C[C@H](CNC(=O)CCn1ccnc1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574923095 948936140 /nfs/dbraw/zinc/93/61/40/948936140.db2.gz DHGNDUYTAFIBFM-MRVPVSSYSA-N -1 1 381.853 1.180 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)C(F)F ZINC001573771492 948940855 /nfs/dbraw/zinc/94/08/55/948940855.db2.gz IVWQVQRCEMUNMB-ZJUUUORDSA-N -1 1 380.403 1.787 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)C(F)F ZINC001573771492 948940861 /nfs/dbraw/zinc/94/08/61/948940861.db2.gz IVWQVQRCEMUNMB-ZJUUUORDSA-N -1 1 380.403 1.787 20 0 GDADMM CC(F)(F)CCC(=O)NC[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575237343 948944931 /nfs/dbraw/zinc/94/49/31/948944931.db2.gz FFZMVJXVHIJTBY-NSHDSACASA-N -1 1 380.403 1.425 20 0 GDADMM CC(F)(F)CCC(=O)NC[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575237343 948944945 /nfs/dbraw/zinc/94/49/45/948944945.db2.gz FFZMVJXVHIJTBY-NSHDSACASA-N -1 1 380.403 1.425 20 0 GDADMM CC(C)c1ncsc1C(=O)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574433146 948950338 /nfs/dbraw/zinc/95/03/38/948950338.db2.gz IWGSQFHMBQTDNF-UHFFFAOYSA-N -1 1 385.457 1.199 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575237958 948951706 /nfs/dbraw/zinc/95/17/06/948951706.db2.gz JWVIHPLKJZLTHI-GHMZBOCLSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575237958 948951732 /nfs/dbraw/zinc/95/17/32/948951732.db2.gz JWVIHPLKJZLTHI-GHMZBOCLSA-N -1 1 380.403 1.789 20 0 GDADMM CC(C)(C(=O)N[C@@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C12CCC2)C(F)F ZINC001573772105 948952225 /nfs/dbraw/zinc/95/22/25/948952225.db2.gz QRWZLVOCWQJNDW-NXEZZACHSA-N -1 1 392.414 1.787 20 0 GDADMM CC(C)(C(=O)N[C@@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C12CCC2)C(F)F ZINC001573772105 948952240 /nfs/dbraw/zinc/95/22/40/948952240.db2.gz QRWZLVOCWQJNDW-NXEZZACHSA-N -1 1 392.414 1.787 20 0 GDADMM CC(C)c1ncsc1C(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574433386 948957489 /nfs/dbraw/zinc/95/74/89/948957489.db2.gz XPHSUKLTFQLOMM-UHFFFAOYSA-N -1 1 387.473 1.445 20 0 GDADMM CC(C)c1ncsc1C(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574433386 948957502 /nfs/dbraw/zinc/95/75/02/948957502.db2.gz XPHSUKLTFQLOMM-UHFFFAOYSA-N -1 1 387.473 1.445 20 0 GDADMM CC(C)c1ncsc1C(=O)NC[C@H](C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574433776 948964459 /nfs/dbraw/zinc/96/44/59/948964459.db2.gz PZVHUDBUHZHLSU-JTQLQIEISA-N -1 1 387.473 1.491 20 0 GDADMM CC(C)c1ncsc1C(=O)NC[C@H](C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574433776 948964468 /nfs/dbraw/zinc/96/44/68/948964468.db2.gz PZVHUDBUHZHLSU-JTQLQIEISA-N -1 1 387.473 1.491 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001575240096 948968845 /nfs/dbraw/zinc/96/88/45/948968845.db2.gz ZAHKLHYAROIELH-GHMZBOCLSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001575240096 948968859 /nfs/dbraw/zinc/96/88/59/948968859.db2.gz ZAHKLHYAROIELH-GHMZBOCLSA-N -1 1 380.403 1.789 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C12CCC2)C(F)F ZINC001573772877 948970015 /nfs/dbraw/zinc/97/00/15/948970015.db2.gz XOSOTCKLHABFFI-MNOVXSKESA-N -1 1 392.414 1.787 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C12CCC2)C(F)F ZINC001573772877 948970029 /nfs/dbraw/zinc/97/00/29/948970029.db2.gz XOSOTCKLHABFFI-MNOVXSKESA-N -1 1 392.414 1.787 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N(C)[C@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001574433912 948971432 /nfs/dbraw/zinc/97/14/32/948971432.db2.gz VPWVKOSLYVUQFF-LLVKDONJSA-N -1 1 384.448 1.086 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N(C)[C@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001574433912 948971450 /nfs/dbraw/zinc/97/14/50/948971450.db2.gz VPWVKOSLYVUQFF-LLVKDONJSA-N -1 1 384.448 1.086 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1 ZINC001575244173 949014581 /nfs/dbraw/zinc/01/45/81/949014581.db2.gz WYAJTRSALPMYBC-MXWKQRLJSA-N -1 1 378.387 1.318 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1 ZINC001575244173 949014595 /nfs/dbraw/zinc/01/45/95/949014595.db2.gz WYAJTRSALPMYBC-MXWKQRLJSA-N -1 1 378.387 1.318 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1)C(F)F ZINC001573774867 949020837 /nfs/dbraw/zinc/02/08/37/949020837.db2.gz XKTGJKULQDMTPL-ZCFIWIBFSA-N -1 1 391.835 1.963 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1)C(F)F ZINC001573774867 949020855 /nfs/dbraw/zinc/02/08/55/949020855.db2.gz XKTGJKULQDMTPL-ZCFIWIBFSA-N -1 1 391.835 1.963 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@@H]1CCCC1(F)F ZINC001574691312 949023976 /nfs/dbraw/zinc/02/39/76/949023976.db2.gz WOVNBTKFYKTQKC-MNOVXSKESA-N -1 1 380.403 1.789 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@@H]1CCCC1(F)F ZINC001574691312 949023995 /nfs/dbraw/zinc/02/39/95/949023995.db2.gz WOVNBTKFYKTQKC-MNOVXSKESA-N -1 1 380.403 1.789 20 0 GDADMM C[C@H](c1cccc(-c2nn[nH]n2)c1)N(C)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC001575502642 949027274 /nfs/dbraw/zinc/02/72/74/949027274.db2.gz ICAKIDXNASLFIS-LLVKDONJSA-N -1 1 377.412 1.747 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)N1CCC(CCNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574091917 949041022 /nfs/dbraw/zinc/04/10/22/949041022.db2.gz MUHGUJOIWIYIDT-GJZGRUSLSA-N -1 1 384.488 1.411 20 0 GDADMM CC(C)[C@H]1C[C@H](CC(=O)N(C)CCNc2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC001574092307 949052623 /nfs/dbraw/zinc/05/26/23/949052623.db2.gz NOWZLGJTDNSNRI-UKRRQHHQSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)[C@H]1C[C@H](CC(=O)N(C)CCNc2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC001574092307 949052649 /nfs/dbraw/zinc/05/26/49/949052649.db2.gz NOWZLGJTDNSNRI-UKRRQHHQSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001573779226 949052929 /nfs/dbraw/zinc/05/29/29/949052929.db2.gz DQWUREBGYXYNEQ-SECBINFHSA-N -1 1 384.366 1.188 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001573779226 949052950 /nfs/dbraw/zinc/05/29/50/949052950.db2.gz DQWUREBGYXYNEQ-SECBINFHSA-N -1 1 384.366 1.188 20 0 GDADMM CC(C)c1occc1C(=O)N(C)C1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574441730 949071193 /nfs/dbraw/zinc/07/11/93/949071193.db2.gz UZWVEQUDUWADGG-UHFFFAOYSA-N -1 1 382.428 1.510 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@H](Nc1nccnc1-c1nnn[n-]1)C(C)C ZINC001574442033 949089082 /nfs/dbraw/zinc/08/90/82/949089082.db2.gz JZUKPCPMZBMQGT-LBPRGKRZSA-N -1 1 385.432 1.635 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@H](Nc1nccnc1-c1nn[n-]n1)C(C)C ZINC001574442033 949089098 /nfs/dbraw/zinc/08/90/98/949089098.db2.gz JZUKPCPMZBMQGT-LBPRGKRZSA-N -1 1 385.432 1.635 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@@H](Nc1nccnc1-c1nnn[n-]1)C(C)C ZINC001574442032 949091182 /nfs/dbraw/zinc/09/11/82/949091182.db2.gz JZUKPCPMZBMQGT-GFCCVEGCSA-N -1 1 385.432 1.635 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@@H](Nc1nccnc1-c1nn[n-]n1)C(C)C ZINC001574442032 949091199 /nfs/dbraw/zinc/09/11/99/949091199.db2.gz JZUKPCPMZBMQGT-GFCCVEGCSA-N -1 1 385.432 1.635 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)Cn1cccn1 ZINC001574695122 949101884 /nfs/dbraw/zinc/10/18/84/949101884.db2.gz ZOKHRZVZJQMMSQ-QMMMGPOBSA-N -1 1 381.853 1.180 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)Cn1cccn1 ZINC001574695122 949101892 /nfs/dbraw/zinc/10/18/92/949101892.db2.gz ZOKHRZVZJQMMSQ-QMMMGPOBSA-N -1 1 381.853 1.180 20 0 GDADMM CC(C)(C(=O)NCCC1(CNc2ccnc(-c3nn[n-]n3)n2)CC1)C1CCC1 ZINC001573781612 949107380 /nfs/dbraw/zinc/10/73/80/949107380.db2.gz KRIHZVHQBDFJKG-UHFFFAOYSA-N -1 1 384.488 1.603 20 0 GDADMM CC(C)(C(=O)NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1)c1ccccc1 ZINC001573781481 949108476 /nfs/dbraw/zinc/10/84/76/949108476.db2.gz HSDVXQILZPOBSW-UHFFFAOYSA-N -1 1 392.467 1.720 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)c1cccnc1)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575250344 949110431 /nfs/dbraw/zinc/11/04/31/949110431.db2.gz FCRMIHDWARKLAX-VXGBXAGGSA-N -1 1 381.444 1.335 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)c1cccnc1)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575250344 949110422 /nfs/dbraw/zinc/11/04/22/949110422.db2.gz FCRMIHDWARKLAX-VXGBXAGGSA-N -1 1 381.444 1.335 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1c[nH]nc1C(C)(C)C ZINC001574696412 949128006 /nfs/dbraw/zinc/12/80/06/949128006.db2.gz PZXXURWVQQXGJD-JTQLQIEISA-N -1 1 384.448 1.298 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1c[nH]nc1C(C)(C)C ZINC001574696412 949128021 /nfs/dbraw/zinc/12/80/21/949128021.db2.gz PZXXURWVQQXGJD-JTQLQIEISA-N -1 1 384.448 1.298 20 0 GDADMM CC(C)c1occc1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001574446606 949132309 /nfs/dbraw/zinc/13/23/09/949132309.db2.gz STCJMDYAKOJIEW-DGCLKSJQSA-N -1 1 382.428 1.628 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccc2c(c1)CCO2 ZINC001574696468 949133897 /nfs/dbraw/zinc/13/38/97/949133897.db2.gz RFEXTYBPCTZBCN-LLVKDONJSA-N -1 1 380.412 1.212 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccc2c(c1)CCO2 ZINC001574696468 949133913 /nfs/dbraw/zinc/13/39/13/949133913.db2.gz RFEXTYBPCTZBCN-LLVKDONJSA-N -1 1 380.412 1.212 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)C[C@@H]1CCCO1 ZINC001574696680 949137986 /nfs/dbraw/zinc/13/79/86/949137986.db2.gz UFKHYHXQBXVVOO-BDAKNGLRSA-N -1 1 385.881 1.852 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)C[C@@H]1CCCO1 ZINC001574696680 949137998 /nfs/dbraw/zinc/13/79/98/949137998.db2.gz UFKHYHXQBXVVOO-BDAKNGLRSA-N -1 1 385.881 1.852 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)C[C@H]1CCCO1 ZINC001574696683 949139261 /nfs/dbraw/zinc/13/92/61/949139261.db2.gz UFKHYHXQBXVVOO-RKDXNWHRSA-N -1 1 385.881 1.852 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)C[C@H]1CCCO1 ZINC001574696683 949139273 /nfs/dbraw/zinc/13/92/73/949139273.db2.gz UFKHYHXQBXVVOO-RKDXNWHRSA-N -1 1 385.881 1.852 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)Cc1ccc(F)c(F)c1 ZINC001574696839 949140818 /nfs/dbraw/zinc/14/08/18/949140818.db2.gz VPABYTFVURKLAT-SNVBAGLBSA-N -1 1 388.382 1.484 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)Cc1ccc(F)c(F)c1 ZINC001574696839 949140837 /nfs/dbraw/zinc/14/08/37/949140837.db2.gz VPABYTFVURKLAT-SNVBAGLBSA-N -1 1 388.382 1.484 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cccc2c1OCC2 ZINC001574697060 949147595 /nfs/dbraw/zinc/14/75/95/949147595.db2.gz XXFDCMDFBKZAQS-NSHDSACASA-N -1 1 380.412 1.212 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cccc2c1OCC2 ZINC001574697060 949147606 /nfs/dbraw/zinc/14/76/06/949147606.db2.gz XXFDCMDFBKZAQS-NSHDSACASA-N -1 1 380.412 1.212 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574446991 949149742 /nfs/dbraw/zinc/14/97/42/949149742.db2.gz FBXNBKWUUHWBID-NSHDSACASA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574446991 949149756 /nfs/dbraw/zinc/14/97/56/949149756.db2.gz FBXNBKWUUHWBID-NSHDSACASA-N -1 1 383.416 1.485 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)CC1(O)CCC1 ZINC001574697068 949151343 /nfs/dbraw/zinc/15/13/43/949151343.db2.gz YEKHWHNXNJIGGX-QMMMGPOBSA-N -1 1 385.881 1.588 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)CC1(O)CCC1 ZINC001574697068 949151354 /nfs/dbraw/zinc/15/13/54/949151354.db2.gz YEKHWHNXNJIGGX-QMMMGPOBSA-N -1 1 385.881 1.588 20 0 GDADMM CC(C)CC(=O)N(C)C[C@H](O)CN(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574098489 949160647 /nfs/dbraw/zinc/16/06/47/949160647.db2.gz AWUKJSXQCRNTGR-VIFPVBQESA-N -1 1 387.897 1.278 20 0 GDADMM CC(C)CC(=O)N(C)C[C@H](O)CN(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574098489 949160661 /nfs/dbraw/zinc/16/06/61/949160661.db2.gz AWUKJSXQCRNTGR-VIFPVBQESA-N -1 1 387.897 1.278 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H](C)c1cccc(F)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574698048 949169825 /nfs/dbraw/zinc/16/98/25/949169825.db2.gz FOEUYBJGMFCMLT-VXGBXAGGSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H](C)c1cccc(F)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574698048 949169841 /nfs/dbraw/zinc/16/98/41/949169841.db2.gz FOEUYBJGMFCMLT-VXGBXAGGSA-N -1 1 384.419 1.858 20 0 GDADMM CC(C)c1oncc1C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574447973 949174393 /nfs/dbraw/zinc/17/43/93/949174393.db2.gz ADZCZZGMXFEMMC-LLVKDONJSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1oncc1C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574447973 949174403 /nfs/dbraw/zinc/17/44/03/949174403.db2.gz ADZCZZGMXFEMMC-LLVKDONJSA-N -1 1 383.416 1.167 20 0 GDADMM C[C@@H](NC(=O)C1(F)CCCC1)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575253485 949190552 /nfs/dbraw/zinc/19/05/52/949190552.db2.gz KDBXCMYKTPJLKF-OLZOCXBDSA-N -1 1 388.451 1.660 20 0 GDADMM C[C@@H](NC(=O)C1(F)CCCC1)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575253485 949190571 /nfs/dbraw/zinc/19/05/71/949190571.db2.gz KDBXCMYKTPJLKF-OLZOCXBDSA-N -1 1 388.451 1.660 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@H](C)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574451076 949209855 /nfs/dbraw/zinc/20/98/55/949209855.db2.gz ARQQRDRDFDVCOZ-VHSXEESVSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@H](C)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574451076 949209878 /nfs/dbraw/zinc/20/98/78/949209878.db2.gz ARQQRDRDFDVCOZ-VHSXEESVSA-N -1 1 387.473 1.856 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(Cl)s1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574936809 949222538 /nfs/dbraw/zinc/22/25/38/949222538.db2.gz LCATUKZZWHGFHU-SECBINFHSA-N -1 1 392.876 1.555 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(Cl)s1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574936809 949222559 /nfs/dbraw/zinc/22/25/59/949222559.db2.gz LCATUKZZWHGFHU-SECBINFHSA-N -1 1 392.876 1.555 20 0 GDADMM C[C@@H]1CCC[C@H](C(=O)NC2(C)CCN(c3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001576151696 949232550 /nfs/dbraw/zinc/23/25/50/949232550.db2.gz IBZKGFLWMRIEGX-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCC[C@H](C(=O)NC2(C)CCN(c3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001576151696 949232572 /nfs/dbraw/zinc/23/25/72/949232572.db2.gz IBZKGFLWMRIEGX-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)Cc2ccccc2)CC1 ZINC001575854408 949233044 /nfs/dbraw/zinc/23/30/44/949233044.db2.gz VHOPEHJWOHQRFJ-UHFFFAOYSA-N -1 1 378.440 1.114 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@H](Nc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001574451739 949242335 /nfs/dbraw/zinc/24/23/35/949242335.db2.gz WLTJIKPOQBCQSB-LBPRGKRZSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@H](Nc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001574451739 949242357 /nfs/dbraw/zinc/24/23/57/949242357.db2.gz WLTJIKPOQBCQSB-LBPRGKRZSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1oncc1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001574451711 949243271 /nfs/dbraw/zinc/24/32/71/949243271.db2.gz VOYRAGJDGJXCRH-PWSUYJOCSA-N -1 1 383.416 1.165 20 0 GDADMM CC(C)c1oncc1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001574451711 949243291 /nfs/dbraw/zinc/24/32/91/949243291.db2.gz VOYRAGJDGJXCRH-PWSUYJOCSA-N -1 1 383.416 1.165 20 0 GDADMM CC(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573792345 949243317 /nfs/dbraw/zinc/24/33/17/949243317.db2.gz OKFYYMIDCLPJLY-ABHRYQDASA-N -1 1 382.472 1.376 20 0 GDADMM CC(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573792345 949243336 /nfs/dbraw/zinc/24/33/36/949243336.db2.gz OKFYYMIDCLPJLY-ABHRYQDASA-N -1 1 382.472 1.376 20 0 GDADMM CC(C)n1cc(C(=O)N2CCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)cn1 ZINC001574451919 949250250 /nfs/dbraw/zinc/25/02/50/949250250.db2.gz AHAOITKTEVCFJR-CYBMUJFWSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1cc(C(=O)N2CCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)cn1 ZINC001574451919 949250273 /nfs/dbraw/zinc/25/02/73/949250273.db2.gz AHAOITKTEVCFJR-CYBMUJFWSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@@H]1CCC[C@@]1(C)C(=O)N1CCC(C)(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576152539 949254044 /nfs/dbraw/zinc/25/40/44/949254044.db2.gz JJWWKIZDUIWCSO-BFUOFWGJSA-N -1 1 384.488 1.698 20 0 GDADMM C[C@H]1CCC[C@@]1(C)C(=O)NCC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001576152861 949263494 /nfs/dbraw/zinc/26/34/94/949263494.db2.gz KCWFVVNKDZMUBN-ORAYPTAESA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H]1CCC[C@@]1(C)C(=O)NCC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001576152861 949263514 /nfs/dbraw/zinc/26/35/14/949263514.db2.gz KCWFVVNKDZMUBN-ORAYPTAESA-N -1 1 384.488 1.816 20 0 GDADMM CC1(c2cccc(CNS(=O)(=O)c3ccc(-c4nn[n-]n4)o3)c2)OCCO1 ZINC001575857771 949274198 /nfs/dbraw/zinc/27/41/98/949274198.db2.gz VNYWEYNZRGPVRZ-UHFFFAOYSA-N -1 1 391.409 1.158 20 0 GDADMM C[C@H]1CCC[C@@H](OCC(=O)NCC2(Nc3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001576153125 949275090 /nfs/dbraw/zinc/27/50/90/949275090.db2.gz KVCMVFSSCZKKOK-QWHCGFSZSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H]1CCC[C@@H](OCC(=O)NCC2(Nc3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001576153125 949275118 /nfs/dbraw/zinc/27/51/18/949275118.db2.gz KVCMVFSSCZKKOK-QWHCGFSZSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccccc1Cl)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574940812 949279207 /nfs/dbraw/zinc/27/92/07/949279207.db2.gz KSSKEONOBSBXEG-NSHDSACASA-N -1 1 386.847 1.494 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccccc1Cl)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574940812 949279227 /nfs/dbraw/zinc/27/92/27/949279227.db2.gz KSSKEONOBSBXEG-NSHDSACASA-N -1 1 386.847 1.494 20 0 GDADMM C[C@H](CNC(=O)Cc1cc[nH]n1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574942041 949326157 /nfs/dbraw/zinc/32/61/57/949326157.db2.gz JKAKBUNKZAHSHY-SSDOTTSWSA-N -1 1 381.853 1.107 20 0 GDADMM C[C@@H](CNC(=O)Cc1cc[nH]n1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574942042 949327938 /nfs/dbraw/zinc/32/79/38/949327938.db2.gz JKAKBUNKZAHSHY-ZETCQYMHSA-N -1 1 381.853 1.107 20 0 GDADMM CC1=C(C)C[C@H](C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001575862139 949339377 /nfs/dbraw/zinc/33/93/77/949339377.db2.gz XWXVDNCSCRNJIJ-HUUCEWRRSA-N -1 1 382.472 1.878 20 0 GDADMM CC1=C(C)C[C@H](C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001575862139 949339400 /nfs/dbraw/zinc/33/94/00/949339400.db2.gz XWXVDNCSCRNJIJ-HUUCEWRRSA-N -1 1 382.472 1.878 20 0 GDADMM CC(C)n1ccc(C(=O)N2CCC[C@H]2CNc2cncc(-c3nnn[n-]3)n2)n1 ZINC001574458564 949340399 /nfs/dbraw/zinc/34/03/99/949340399.db2.gz SYWABPVWHRMHAA-LBPRGKRZSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1ccc(C(=O)N2CCC[C@H]2CNc2cncc(-c3nn[n-]n3)n2)n1 ZINC001574458564 949340424 /nfs/dbraw/zinc/34/04/24/949340424.db2.gz SYWABPVWHRMHAA-LBPRGKRZSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1ccc(C(=O)NC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C2CC2)n1 ZINC001574458567 949341407 /nfs/dbraw/zinc/34/14/07/949341407.db2.gz TUKZYLOLHUUDHO-CYBMUJFWSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1ccc(C(=O)NC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C2CC2)n1 ZINC001574458567 949341431 /nfs/dbraw/zinc/34/14/31/949341431.db2.gz TUKZYLOLHUUDHO-CYBMUJFWSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@H](CN(C)C(=O)C1=COCCO1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574703671 949344111 /nfs/dbraw/zinc/34/41/11/949344111.db2.gz FUCIMOISZCZPJT-SSDOTTSWSA-N -1 1 385.837 1.124 20 0 GDADMM CC(C)n1ccc(C(=O)NC[C@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001574458655 949346483 /nfs/dbraw/zinc/34/64/83/949346483.db2.gz WJSCEGBYCZVATC-TXEJJXNPSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1ccc(C(=O)NC[C@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001574458655 949346504 /nfs/dbraw/zinc/34/65/04/949346504.db2.gz WJSCEGBYCZVATC-TXEJJXNPSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@H](NC(=O)C1C=CC=CC=C1)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575260598 949357812 /nfs/dbraw/zinc/35/78/12/949357812.db2.gz WCPOWIZPNPQYHJ-HOCLYGCPSA-N -1 1 392.467 1.676 20 0 GDADMM C[C@H](NC(=O)C1C=CC=CC=C1)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575260598 949357835 /nfs/dbraw/zinc/35/78/35/949357835.db2.gz WCPOWIZPNPQYHJ-HOCLYGCPSA-N -1 1 392.467 1.676 20 0 GDADMM CC1(C(=O)N(CCNc2cnc(-c3nnn[n-]3)cn2)CCc2ccccc2)CC1 ZINC001575526386 949366881 /nfs/dbraw/zinc/36/68/81/949366881.db2.gz YSXSONNKQPDZIV-UHFFFAOYSA-N -1 1 392.467 1.940 20 0 GDADMM CC1(C(=O)N(CCNc2cnc(-c3nn[n-]n3)cn2)CCc2ccccc2)CC1 ZINC001575526386 949366900 /nfs/dbraw/zinc/36/69/00/949366900.db2.gz YSXSONNKQPDZIV-UHFFFAOYSA-N -1 1 392.467 1.940 20 0 GDADMM C[C@@H](Nc1nc(Cl)c(-c2nnn[n-]2)s1)[C@H](C)NC(=O)C1=CCOCC1 ZINC001575260901 949369016 /nfs/dbraw/zinc/36/90/16/949369016.db2.gz YJZKRCVCFDIRDN-JGVFFNPUSA-N -1 1 383.865 1.628 20 0 GDADMM C[C@@H](Nc1nc(Cl)c(-c2nn[n-]n2)s1)[C@H](C)NC(=O)C1=CCOCC1 ZINC001575260901 949369037 /nfs/dbraw/zinc/36/90/37/949369037.db2.gz YJZKRCVCFDIRDN-JGVFFNPUSA-N -1 1 383.865 1.628 20 0 GDADMM C[C@@H]1CCC[C@@H](OCC(=O)N(C)CCN(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576154910 949371488 /nfs/dbraw/zinc/37/14/88/949371488.db2.gz RNEOGYHTPYNAJI-ZIAGYGMSSA-N -1 1 388.476 1.147 20 0 GDADMM CC1=CC[C@@](C)(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001575865830 949383573 /nfs/dbraw/zinc/38/35/73/949383573.db2.gz MZVKAPRJJIKAGU-AUUYWEPGSA-N -1 1 382.472 1.878 20 0 GDADMM CC1=CC[C@@](C)(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001575865830 949383598 /nfs/dbraw/zinc/38/35/98/949383598.db2.gz MZVKAPRJJIKAGU-AUUYWEPGSA-N -1 1 382.472 1.878 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cc[nH]c1 ZINC001576155302 949393137 /nfs/dbraw/zinc/39/31/37/949393137.db2.gz HVSFSWIIUYKZBD-KPZWWZAWSA-N -1 1 381.444 1.776 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cc[nH]c1 ZINC001576155302 949393160 /nfs/dbraw/zinc/39/31/60/949393160.db2.gz HVSFSWIIUYKZBD-KPZWWZAWSA-N -1 1 381.444 1.776 20 0 GDADMM C[C@H]1[C@H](NC(=O)C(C2CC2)C2CC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575866083 949393572 /nfs/dbraw/zinc/39/35/72/949393572.db2.gz CNTHKTYERKVHJO-SMDDNHRTSA-N -1 1 382.472 1.566 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cc[nH]c1 ZINC001576155304 949394249 /nfs/dbraw/zinc/39/42/49/949394249.db2.gz HVSFSWIIUYKZBD-SGTLLEGYSA-N -1 1 381.444 1.776 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cc[nH]c1 ZINC001576155304 949394274 /nfs/dbraw/zinc/39/42/74/949394274.db2.gz HVSFSWIIUYKZBD-SGTLLEGYSA-N -1 1 381.444 1.776 20 0 GDADMM C[C@@H](CNC(=O)Cc1cnoc1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001574945936 949423981 /nfs/dbraw/zinc/42/39/81/949423981.db2.gz PMHCQPLTLGBWQL-ZETCQYMHSA-N -1 1 382.837 1.372 20 0 GDADMM C[C@@H](CNC(=O)Cc1cnoc1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001574945936 949423999 /nfs/dbraw/zinc/42/39/99/949423999.db2.gz PMHCQPLTLGBWQL-ZETCQYMHSA-N -1 1 382.837 1.372 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2(C(F)F)CC2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575867312 949434409 /nfs/dbraw/zinc/43/44/09/949434409.db2.gz JEMHILSUZCJSJM-UWVGGRQHSA-N -1 1 378.387 1.176 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2(C(F)F)CC2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575867312 949434423 /nfs/dbraw/zinc/43/44/23/949434423.db2.gz JEMHILSUZCJSJM-UWVGGRQHSA-N -1 1 378.387 1.176 20 0 GDADMM CC1(C(=O)N2CC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CC(F)(F)C1 ZINC001575534877 949435773 /nfs/dbraw/zinc/43/57/73/949435773.db2.gz RLYVYHIDRLDCHJ-JTQLQIEISA-N -1 1 378.387 1.353 20 0 GDADMM CC1(C(=O)N2CC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CC(F)(F)C1 ZINC001575534877 949435793 /nfs/dbraw/zinc/43/57/93/949435793.db2.gz RLYVYHIDRLDCHJ-JTQLQIEISA-N -1 1 378.387 1.353 20 0 GDADMM CC(C)n1cccc1C(=O)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574466015 949447479 /nfs/dbraw/zinc/44/74/79/949447479.db2.gz ZVMAMFATGUJUKY-ZDUSSCGKSA-N -1 1 381.444 1.613 20 0 GDADMM CC(C)n1cccc1C(=O)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574466015 949447490 /nfs/dbraw/zinc/44/74/90/949447490.db2.gz ZVMAMFATGUJUKY-ZDUSSCGKSA-N -1 1 381.444 1.613 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1nccnc1-c1nnn[n-]1)NC(=O)CCCF ZINC001576157052 949469494 /nfs/dbraw/zinc/46/94/94/949469494.db2.gz OVSFXAKGMUYOFP-SJCJKPOMSA-N -1 1 376.440 1.883 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1nccnc1-c1nn[n-]n1)NC(=O)CCCF ZINC001576157052 949469505 /nfs/dbraw/zinc/46/95/05/949469505.db2.gz OVSFXAKGMUYOFP-SJCJKPOMSA-N -1 1 376.440 1.883 20 0 GDADMM C[C@@H](NC(=O)CCC(F)F)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575266254 949470565 /nfs/dbraw/zinc/47/05/65/949470565.db2.gz CJESOAKOCPWEKP-GHMZBOCLSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](NC(=O)CCC(F)F)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575266254 949470583 /nfs/dbraw/zinc/47/05/83/949470583.db2.gz CJESOAKOCPWEKP-GHMZBOCLSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](NC(=O)CC1CCCC1)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575266392 949475999 /nfs/dbraw/zinc/47/59/99/949475999.db2.gz CTABBMDPWVNDLL-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](NC(=O)CC1CCCC1)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575266392 949476011 /nfs/dbraw/zinc/47/60/11/949476011.db2.gz CTABBMDPWVNDLL-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1CCCc2ccccc21)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574707855 949481259 /nfs/dbraw/zinc/48/12/59/949481259.db2.gz RDSWFWQWGLPHDA-CJNGLKHVSA-N -1 1 392.467 1.458 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1CCCC(F)(F)C1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574708265 949489605 /nfs/dbraw/zinc/48/96/05/949489605.db2.gz VBEKZGAQUWGNKD-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1CCCC(F)(F)C1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574708265 949489619 /nfs/dbraw/zinc/48/96/19/949489619.db2.gz VBEKZGAQUWGNKD-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM CC1(C(=O)N2CC[C@H]3[C@H](CCN3c3nccnc3-c3nnn[n-]3)C2)CC=CC1 ZINC001575537780 949502822 /nfs/dbraw/zinc/50/28/22/949502822.db2.gz AYIVYOWZWQMPSR-KGLIPLIRSA-N -1 1 380.456 1.440 20 0 GDADMM CC1(C(=O)N2CC[C@H]3[C@H](CCN3c3nccnc3-c3nn[n-]n3)C2)CC=CC1 ZINC001575537780 949502831 /nfs/dbraw/zinc/50/28/31/949502831.db2.gz AYIVYOWZWQMPSR-KGLIPLIRSA-N -1 1 380.456 1.440 20 0 GDADMM C[C@@]1(C(=O)N2CC[C@@]3(CCN(c4nccnc4-c4nnn[n-]4)C3)C2)C=CCC1 ZINC001575537935 949506741 /nfs/dbraw/zinc/50/67/41/949506741.db2.gz BTCKINGXDXNKDU-RTBURBONSA-N -1 1 380.456 1.442 20 0 GDADMM C[C@@]1(C(=O)N2CC[C@@]3(CCN(c4nccnc4-c4nn[n-]n4)C3)C2)C=CCC1 ZINC001575537935 949506760 /nfs/dbraw/zinc/50/67/60/949506760.db2.gz BTCKINGXDXNKDU-RTBURBONSA-N -1 1 380.456 1.442 20 0 GDADMM C[C@H](CNC(=O)[C@@H](C)Cc1ccccc1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574949796 949511184 /nfs/dbraw/zinc/51/11/84/949511184.db2.gz DKAPOZXINWOTGS-KBPBESRZSA-N -1 1 380.456 1.700 20 0 GDADMM C[C@H](CNC(=O)[C@@H](C)Cc1ccccc1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574949796 949511202 /nfs/dbraw/zinc/51/12/02/949511202.db2.gz DKAPOZXINWOTGS-KBPBESRZSA-N -1 1 380.456 1.700 20 0 GDADMM C[C@@]1(C(=O)N2CCC[C@@H](CCNc3cncc(-c4nnn[n-]4)n3)C2)CCOC1 ZINC001575538693 949525575 /nfs/dbraw/zinc/52/55/75/949525575.db2.gz IYKYWAQZIFREMP-SCLBCKFNSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@@]1(C(=O)N2CCC[C@@H](CCNc3cncc(-c4nn[n-]n4)n3)C2)CCOC1 ZINC001575538693 949525589 /nfs/dbraw/zinc/52/55/89/949525589.db2.gz IYKYWAQZIFREMP-SCLBCKFNSA-N -1 1 386.460 1.124 20 0 GDADMM CC(C)CC(=O)NCc1ccccc1CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574123204 949547222 /nfs/dbraw/zinc/54/72/22/949547222.db2.gz MFWVFAMZOLINGY-UHFFFAOYSA-N -1 1 380.456 1.955 20 0 GDADMM CC(C)CC(=O)NCc1ccccc1CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574123204 949547238 /nfs/dbraw/zinc/54/72/38/949547238.db2.gz MFWVFAMZOLINGY-UHFFFAOYSA-N -1 1 380.456 1.955 20 0 GDADMM C[C@H]1CCCC[C@@H]1CC(=O)NCCN(c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001576166796 949593774 /nfs/dbraw/zinc/59/37/74/949593774.db2.gz AHWSVZBIDBTCLM-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCCC[C@@H]1CC(=O)NCCN(c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001576166796 949593792 /nfs/dbraw/zinc/59/37/92/949593792.db2.gz AHWSVZBIDBTCLM-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)C[C@@H](C(=O)N[C@@H](C)CNc1nccnc1-c1nnn[n-]1)n1ccnc1 ZINC001574125841 949594274 /nfs/dbraw/zinc/59/42/74/949594274.db2.gz TYWZCRWXIFDERY-STQMWFEESA-N -1 1 384.448 1.057 20 0 GDADMM CC(C)C[C@@H](C(=O)N[C@@H](C)CNc1nccnc1-c1nn[n-]n1)n1ccnc1 ZINC001574125841 949594296 /nfs/dbraw/zinc/59/42/96/949594296.db2.gz TYWZCRWXIFDERY-STQMWFEESA-N -1 1 384.448 1.057 20 0 GDADMM CC(C)C[C@@H](C(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1)n1ccnc1 ZINC001574125844 949595543 /nfs/dbraw/zinc/59/55/43/949595543.db2.gz UBBUHANJYWNANR-AWEZNQCLSA-N -1 1 384.448 1.011 20 0 GDADMM C[C@@H](NC(=O)CCCc1ccccn1)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575271562 949618843 /nfs/dbraw/zinc/61/88/43/949618843.db2.gz KTCYEAOMUMBAFQ-CHWSQXEVSA-N -1 1 381.444 1.380 20 0 GDADMM C[C@@H](NC(=O)CCCc1ccccn1)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575271562 949618858 /nfs/dbraw/zinc/61/88/58/949618858.db2.gz KTCYEAOMUMBAFQ-CHWSQXEVSA-N -1 1 381.444 1.380 20 0 GDADMM C[C@@H](NC(=O)CCCc1ccccn1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575271566 949619409 /nfs/dbraw/zinc/61/94/09/949619409.db2.gz KTCYEAOMUMBAFQ-QWHCGFSZSA-N -1 1 381.444 1.380 20 0 GDADMM C[C@@H](NC(=O)CCCc1ccccn1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575271566 949619423 /nfs/dbraw/zinc/61/94/23/949619423.db2.gz KTCYEAOMUMBAFQ-QWHCGFSZSA-N -1 1 381.444 1.380 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C1(C(F)F)CC1 ZINC001573814194 949639180 /nfs/dbraw/zinc/63/91/80/949639180.db2.gz BIVFJQICTAODOY-SNVBAGLBSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C1(C(F)F)CC1 ZINC001573814194 949639191 /nfs/dbraw/zinc/63/91/91/949639191.db2.gz BIVFJQICTAODOY-SNVBAGLBSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@H](CC(=O)N(C)CCNc1nccnc1-c1nnn[n-]1)c1ccccc1F ZINC001574477091 949640050 /nfs/dbraw/zinc/64/00/50/949640050.db2.gz JOEBNCXDQRCTOT-GFCCVEGCSA-N -1 1 384.419 1.860 20 0 GDADMM C[C@H](CC(=O)N(C)CCNc1nccnc1-c1nn[n-]n1)c1ccccc1F ZINC001574477091 949640062 /nfs/dbraw/zinc/64/00/62/949640062.db2.gz JOEBNCXDQRCTOT-GFCCVEGCSA-N -1 1 384.419 1.860 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CCn2cccc2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575877359 949663162 /nfs/dbraw/zinc/66/31/62/949663162.db2.gz LWGQDKASQYVOMU-KGLIPLIRSA-N -1 1 381.444 1.022 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CCn2cccc2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575877359 949663166 /nfs/dbraw/zinc/66/31/66/949663166.db2.gz LWGQDKASQYVOMU-KGLIPLIRSA-N -1 1 381.444 1.022 20 0 GDADMM C[C@H]1[C@H](NC(=O)CCc2ccoc2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575880210 949698021 /nfs/dbraw/zinc/69/80/21/949698021.db2.gz SGECLPFCMCRVOI-GXTWGEPZSA-N -1 1 382.428 1.356 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CCc2ccco2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575880248 949698349 /nfs/dbraw/zinc/69/83/49/949698349.db2.gz SWDGLKFWXOJMMY-OCCSQVGLSA-N -1 1 382.428 1.356 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccsc1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574958965 949699607 /nfs/dbraw/zinc/69/96/07/949699607.db2.gz OSSCDQGWHVTPJQ-KGYLQXTDSA-N -1 1 384.469 1.686 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccsc1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574958965 949699626 /nfs/dbraw/zinc/69/96/26/949699626.db2.gz OSSCDQGWHVTPJQ-KGYLQXTDSA-N -1 1 384.469 1.686 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@@H]1CCC(F)(F)C1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574716839 949709063 /nfs/dbraw/zinc/70/90/63/949709063.db2.gz RFCUAJKUADLTBK-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@@H]1CCC(F)(F)C1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574716839 949709082 /nfs/dbraw/zinc/70/90/82/949709082.db2.gz RFCUAJKUADLTBK-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CC(=O)N(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccccc1 ZINC001574478421 949709320 /nfs/dbraw/zinc/70/93/20/949709320.db2.gz ZCFNYYYBUHQFNL-ZBFHGGJFSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@H](CC(=O)N(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccccc1 ZINC001574478421 949709335 /nfs/dbraw/zinc/70/93/35/949709335.db2.gz ZCFNYYYBUHQFNL-ZBFHGGJFSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccsc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574960352 949725028 /nfs/dbraw/zinc/72/50/28/949725028.db2.gz WPJCRVDKFNDGNJ-KGYLQXTDSA-N -1 1 384.469 1.463 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccsc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574960352 949725042 /nfs/dbraw/zinc/72/50/42/949725042.db2.gz WPJCRVDKFNDGNJ-KGYLQXTDSA-N -1 1 384.469 1.463 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CC[C@H]1CCCO1 ZINC001573818254 949726316 /nfs/dbraw/zinc/72/63/16/949726316.db2.gz JBTRGWOBCMHAHE-TZMCWYRMSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CC[C@H]1CCCO1 ZINC001573818254 949726326 /nfs/dbraw/zinc/72/63/26/949726326.db2.gz JBTRGWOBCMHAHE-TZMCWYRMSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H]1CCCN(C(=O)CC2CCCC2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576170905 949741457 /nfs/dbraw/zinc/74/14/57/949741457.db2.gz OHLNPERTZVEFMP-ZFWWWQNUSA-N -1 1 384.488 1.698 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)COC1CCCC1 ZINC001573818954 949746322 /nfs/dbraw/zinc/74/63/22/949746322.db2.gz PMOLLYRBPLDRHF-AWEZNQCLSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)COC1CCCC1 ZINC001573818954 949746341 /nfs/dbraw/zinc/74/63/41/949746341.db2.gz PMOLLYRBPLDRHF-AWEZNQCLSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001574480431 949749298 /nfs/dbraw/zinc/74/92/98/949749298.db2.gz IJXTWKPMDOMMRK-NXEZZACHSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001574480431 949749307 /nfs/dbraw/zinc/74/93/07/949749307.db2.gz IJXTWKPMDOMMRK-NXEZZACHSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001574480846 949759908 /nfs/dbraw/zinc/75/99/08/949759908.db2.gz KODTVXLKXGZCLX-UONOGXRCSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001574480846 949759922 /nfs/dbraw/zinc/75/99/22/949759922.db2.gz KODTVXLKXGZCLX-UONOGXRCSA-N -1 1 381.444 1.147 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N1CC[C@@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574137502 949761075 /nfs/dbraw/zinc/76/10/75/949761075.db2.gz VAONAKGKXRHAOV-LIRRHRJNSA-N -1 1 386.504 1.801 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574137559 949761483 /nfs/dbraw/zinc/76/14/83/949761483.db2.gz VVGWZWQTRVBOFR-KGLIPLIRSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574137559 949761498 /nfs/dbraw/zinc/76/14/98/949761498.db2.gz VVGWZWQTRVBOFR-KGLIPLIRSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@H]1[C@@H](NC(=O)Cc2cccs2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575882372 949765764 /nfs/dbraw/zinc/76/57/64/949765764.db2.gz JRVBXXZYZZJRDO-AAEUAGOBSA-N -1 1 384.469 1.434 20 0 GDADMM C[C@H]1[C@@H](NC(=O)Cc2cccs2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575882372 949765776 /nfs/dbraw/zinc/76/57/76/949765776.db2.gz JRVBXXZYZZJRDO-AAEUAGOBSA-N -1 1 384.469 1.434 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1ccco1 ZINC001574481561 949789337 /nfs/dbraw/zinc/78/93/37/949789337.db2.gz RNMMOFKBEOVCTE-OLZOCXBDSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574481561 949789346 /nfs/dbraw/zinc/78/93/46/949789346.db2.gz RNMMOFKBEOVCTE-OLZOCXBDSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@@H](CN(C)C(=O)CCOc1ccccc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574720485 949790935 /nfs/dbraw/zinc/79/09/35/949790935.db2.gz AKIPXLMEONPWJI-ZDUSSCGKSA-N -1 1 382.428 1.385 20 0 GDADMM C[C@@H](CN(C)C(=O)CCOc1ccccc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574720485 949790944 /nfs/dbraw/zinc/79/09/44/949790944.db2.gz AKIPXLMEONPWJI-ZDUSSCGKSA-N -1 1 382.428 1.385 20 0 GDADMM CC1(C(=O)NC2(CCO)CN(Cc3ccc(-c4nn[n-]n4)s3)C2)CCCC1 ZINC001575561072 949806992 /nfs/dbraw/zinc/80/69/92/949806992.db2.gz ZEPBLVJNYFFXEE-UHFFFAOYSA-N -1 1 390.513 1.562 20 0 GDADMM C[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574965788 949815582 /nfs/dbraw/zinc/81/55/82/949815582.db2.gz LXHBPYACUQVMTI-CFVMTHIKSA-N -1 1 378.440 1.625 20 0 GDADMM C[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574965788 949815599 /nfs/dbraw/zinc/81/55/99/949815599.db2.gz LXHBPYACUQVMTI-CFVMTHIKSA-N -1 1 378.440 1.625 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1csc(=O)[nH]1 ZINC001573823172 949815843 /nfs/dbraw/zinc/81/58/43/949815843.db2.gz QMYIVUNJYGSRED-VIFPVBQESA-N -1 1 389.445 1.075 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1csc(=O)[nH]1 ZINC001573823172 949815854 /nfs/dbraw/zinc/81/58/54/949815854.db2.gz QMYIVUNJYGSRED-VIFPVBQESA-N -1 1 389.445 1.075 20 0 GDADMM C[C@H](CNC(=O)c1[nH]cnc1C(C)(C)C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574965828 949815836 /nfs/dbraw/zinc/81/58/36/949815836.db2.gz MXVITIKRQMXXGV-JTQLQIEISA-N -1 1 384.448 1.155 20 0 GDADMM C[C@H](CNC(=O)c1[nH]cnc1C(C)(C)C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574965828 949815850 /nfs/dbraw/zinc/81/58/50/949815850.db2.gz MXVITIKRQMXXGV-JTQLQIEISA-N -1 1 384.448 1.155 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001574482011 949817383 /nfs/dbraw/zinc/81/73/83/949817383.db2.gz YPAOTSONKPDJKJ-STQMWFEESA-N -1 1 382.428 1.481 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001574482011 949817407 /nfs/dbraw/zinc/81/74/07/949817407.db2.gz YPAOTSONKPDJKJ-STQMWFEESA-N -1 1 382.428 1.481 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccccc1O ZINC001573823281 949823134 /nfs/dbraw/zinc/82/31/34/949823134.db2.gz TYSYZXFQKBPSKL-CYBMUJFWSA-N -1 1 382.428 1.619 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccccc1O ZINC001573823281 949823154 /nfs/dbraw/zinc/82/31/54/949823154.db2.gz TYSYZXFQKBPSKL-CYBMUJFWSA-N -1 1 382.428 1.619 20 0 GDADMM C[C@@H](CNC(=O)c1c(F)cccc1Cl)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574965925 949826920 /nfs/dbraw/zinc/82/69/20/949826920.db2.gz OVCISYUVKDIXJL-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CNC(=O)c1c(F)cccc1Cl)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574965925 949826939 /nfs/dbraw/zinc/82/69/39/949826939.db2.gz OVCISYUVKDIXJL-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CN(C)C(=O)CCc1ccccc1F)Nc1nccnc1-c1nnn[n-]1 ZINC001574722174 949829737 /nfs/dbraw/zinc/82/97/37/949829737.db2.gz QPYMDSTUZWUENJ-LBPRGKRZSA-N -1 1 384.419 1.687 20 0 GDADMM C[C@@H](CN(C)C(=O)CCc1ccccc1F)Nc1nccnc1-c1nn[n-]n1 ZINC001574722174 949829761 /nfs/dbraw/zinc/82/97/61/949829761.db2.gz QPYMDSTUZWUENJ-LBPRGKRZSA-N -1 1 384.419 1.687 20 0 GDADMM C[C@@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574966054 949834815 /nfs/dbraw/zinc/83/48/15/949834815.db2.gz SQXGTAHOXDUEGK-CFVMTHIKSA-N -1 1 378.440 1.401 20 0 GDADMM C[C@@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574966054 949834837 /nfs/dbraw/zinc/83/48/37/949834837.db2.gz SQXGTAHOXDUEGK-CFVMTHIKSA-N -1 1 378.440 1.401 20 0 GDADMM C[C@@H](CC(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)c1ccccc1 ZINC001574483699 949836297 /nfs/dbraw/zinc/83/62/97/949836297.db2.gz IVIFSMUFOSKLGQ-AWEZNQCLSA-N -1 1 378.440 1.499 20 0 GDADMM C[C@@H](CC(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)c1ccccc1 ZINC001574483699 949836318 /nfs/dbraw/zinc/83/63/18/949836318.db2.gz IVIFSMUFOSKLGQ-AWEZNQCLSA-N -1 1 378.440 1.499 20 0 GDADMM CC(C)(C)C1CC(C(=O)NC[C@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573824406 949850167 /nfs/dbraw/zinc/85/01/67/949850167.db2.gz FIGRFLMZMXRHCF-JXQTWKCFSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H]2[C@H]1CCN2c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001574483973 949855613 /nfs/dbraw/zinc/85/56/13/949855613.db2.gz AXABXZIJGSRHKL-UHOFOFEASA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H]2[C@H]1CCN2c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001574483973 949855634 /nfs/dbraw/zinc/85/56/34/949855634.db2.gz AXABXZIJGSRHKL-UHOFOFEASA-N -1 1 382.472 1.663 20 0 GDADMM CC(C)(C)C12CC(C(=O)N[C@@H]3CCN(c4cncc(-c5nnn[n-]5)n4)C3)(C1)C2 ZINC001573825023 949862262 /nfs/dbraw/zinc/86/22/62/949862262.db2.gz KMTXQFXCANKFDE-PIHIASKNSA-N -1 1 382.472 1.568 20 0 GDADMM CC(C)(C)C12CC(C(=O)N[C@@H]3CCN(c4cncc(-c5nn[n-]n5)n4)C3)(C1)C2 ZINC001573825023 949862277 /nfs/dbraw/zinc/86/22/77/949862277.db2.gz KMTXQFXCANKFDE-PIHIASKNSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](NC(=O)Cc1c[nH]c2cnccc12)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575283335 949863220 /nfs/dbraw/zinc/86/32/20/949863220.db2.gz OHNOOZAJYBTUKQ-GHMZBOCLSA-N -1 1 392.427 1.081 20 0 GDADMM C[C@@H](NC(=O)Cc1c[nH]c2cnccc12)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575283335 949863240 /nfs/dbraw/zinc/86/32/40/949863240.db2.gz OHNOOZAJYBTUKQ-GHMZBOCLSA-N -1 1 392.427 1.081 20 0 GDADMM CC(C)(C)C1CC(C(=O)N2CC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001573825076 949863591 /nfs/dbraw/zinc/86/35/91/949863591.db2.gz KWHGDSPYRGAOLN-HSBZDZAISA-N -1 1 384.488 1.411 20 0 GDADMM CC1(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CC(F)(F)C1 ZINC001575564907 949870746 /nfs/dbraw/zinc/87/07/46/949870746.db2.gz SWQFEDTUERRGKC-LLVKDONJSA-N -1 1 392.414 1.567 20 0 GDADMM CC1(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CC(F)(F)C1 ZINC001575564907 949870766 /nfs/dbraw/zinc/87/07/66/949870766.db2.gz SWQFEDTUERRGKC-LLVKDONJSA-N -1 1 392.414 1.567 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C ZINC001574142543 949872482 /nfs/dbraw/zinc/87/24/82/949872482.db2.gz ZTPLWNXBGUDJSO-RBSFLKMASA-N -1 1 386.504 1.918 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C ZINC001574142543 949872500 /nfs/dbraw/zinc/87/25/00/949872500.db2.gz ZTPLWNXBGUDJSO-RBSFLKMASA-N -1 1 386.504 1.918 20 0 GDADMM C[C@]1(C(=O)NC2CCC(Nc3cncc(-c4nnn[n-]4)n3)CC2)CCCOC1 ZINC001575565277 949877675 /nfs/dbraw/zinc/87/76/75/949877675.db2.gz VJNLSVWLHLFIOE-KJBLDROHSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@]1(C(=O)NC2CCC(Nc3cncc(-c4nn[n-]n4)n3)CC2)CCCOC1 ZINC001575565277 949877698 /nfs/dbraw/zinc/87/76/98/949877698.db2.gz VJNLSVWLHLFIOE-KJBLDROHSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2cc(Cl)c[nH]2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575886452 949886175 /nfs/dbraw/zinc/88/61/75/949886175.db2.gz MJLOYFAJWRXPHG-ONGXEEELSA-N -1 1 387.835 1.426 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2cc(Cl)c[nH]2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575886452 949886195 /nfs/dbraw/zinc/88/61/95/949886195.db2.gz MJLOYFAJWRXPHG-ONGXEEELSA-N -1 1 387.835 1.426 20 0 GDADMM CC1(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CCC(F)(F)CC1 ZINC001575568899 949905315 /nfs/dbraw/zinc/90/53/15/949905315.db2.gz CWEMJPRZRYEBAA-NSHDSACASA-N -1 1 392.414 1.567 20 0 GDADMM CC1(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CCC(F)(F)CC1 ZINC001575568899 949905326 /nfs/dbraw/zinc/90/53/26/949905326.db2.gz CWEMJPRZRYEBAA-NSHDSACASA-N -1 1 392.414 1.567 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574144531 949911820 /nfs/dbraw/zinc/91/18/20/949911820.db2.gz OPBOCVWVKQWDLI-AWEZNQCLSA-N -1 1 388.476 1.147 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574144531 949911837 /nfs/dbraw/zinc/91/18/37/949911837.db2.gz OPBOCVWVKQWDLI-AWEZNQCLSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001574484989 949914830 /nfs/dbraw/zinc/91/48/30/949914830.db2.gz TYVHCKCLTDTLNO-UONOGXRCSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001574484989 949914841 /nfs/dbraw/zinc/91/48/41/949914841.db2.gz TYVHCKCLTDTLNO-UONOGXRCSA-N -1 1 381.444 1.512 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1 ZINC001574144970 949924163 /nfs/dbraw/zinc/92/41/63/949924163.db2.gz RLBNVKIPUNIEIM-LBPRGKRZSA-N -1 1 392.464 1.206 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1 ZINC001574144970 949924182 /nfs/dbraw/zinc/92/41/82/949924182.db2.gz RLBNVKIPUNIEIM-LBPRGKRZSA-N -1 1 392.464 1.206 20 0 GDADMM C[C@H](CC(=O)N1CCCC[C@@H]1CN(C)c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001574485666 949926628 /nfs/dbraw/zinc/92/66/28/949926628.db2.gz YPKHEUYNBXAVTJ-UKRRQHHQSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](CC(=O)N1CCCC[C@@H]1CN(C)c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001574485666 949926644 /nfs/dbraw/zinc/92/66/44/949926644.db2.gz YPKHEUYNBXAVTJ-UKRRQHHQSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)(C)/C=C/C(=O)N[C@]12CCC[C@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001573828732 949941539 /nfs/dbraw/zinc/94/15/39/949941539.db2.gz TUZRDUKYLJBSBC-ONCYFDPTSA-N -1 1 382.472 1.877 20 0 GDADMM C[C@@H]1CCN(C(=O)CC(C)(F)F)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576180181 949945074 /nfs/dbraw/zinc/94/50/74/949945074.db2.gz CQMAGINBWTUKRN-GHMZBOCLSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H]1CCN(C(=O)CC(C)(F)F)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576180181 949945089 /nfs/dbraw/zinc/94/50/89/949945089.db2.gz CQMAGINBWTUKRN-GHMZBOCLSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H](CC(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1ccccc1 ZINC001574489362 949961461 /nfs/dbraw/zinc/96/14/61/949961461.db2.gz JEBZIVGGZJKRQQ-CZUORRHYSA-N -1 1 392.467 1.579 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1cccc(Cl)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574728459 949986816 /nfs/dbraw/zinc/98/68/16/949986816.db2.gz APAYMVIISLSOAC-LLVKDONJSA-N -1 1 386.847 1.812 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1cccc(Cl)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574728459 949986828 /nfs/dbraw/zinc/98/68/28/949986828.db2.gz APAYMVIISLSOAC-LLVKDONJSA-N -1 1 386.847 1.812 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1c(F)cccc1F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574728611 949994319 /nfs/dbraw/zinc/99/43/19/949994319.db2.gz FIUJEPOXGQTJHO-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1c(F)cccc1F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574728611 949994341 /nfs/dbraw/zinc/99/43/41/949994341.db2.gz FIUJEPOXGQTJHO-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1)c1ccco1 ZINC001574490491 949995185 /nfs/dbraw/zinc/99/51/85/949995185.db2.gz SZUUQOZUULRKQW-AGIUHOORSA-N -1 1 380.412 1.233 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cnco2)[C@@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001576181319 949997122 /nfs/dbraw/zinc/99/71/22/949997122.db2.gz LTDLDONRWLFJEV-DGCLKSJQSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cnco2)[C@@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001576181319 949997142 /nfs/dbraw/zinc/99/71/42/949997142.db2.gz LTDLDONRWLFJEV-DGCLKSJQSA-N -1 1 383.416 1.388 20 0 GDADMM CC(C)(C)CC(=O)N[C@@H]1CC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@@H]2C1 ZINC001573833649 950007967 /nfs/dbraw/zinc/00/79/67/950007967.db2.gz BAGXZONGQVRDGM-MELADBBJSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)CC(=O)N[C@@H]1CC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@@H]2C1 ZINC001573833649 950007991 /nfs/dbraw/zinc/00/79/91/950007991.db2.gz BAGXZONGQVRDGM-MELADBBJSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ccc(F)cc1F)Nc1nccnc1-c1nnn[n-]1 ZINC001574729591 950022904 /nfs/dbraw/zinc/02/29/04/950022904.db2.gz OVCODMITVRJTHA-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ccc(F)cc1F)Nc1nccnc1-c1nn[n-]n1 ZINC001574729591 950022927 /nfs/dbraw/zinc/02/29/27/950022927.db2.gz OVCODMITVRJTHA-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM CC(C)(C)CC(=O)N1C[C@@]2(C)CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@]2(C)C1 ZINC001573835071 950031750 /nfs/dbraw/zinc/03/17/50/950031750.db2.gz NPDOXJIFYHDGSL-KDURUIRLSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(CCF)CC2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576182030 950032567 /nfs/dbraw/zinc/03/25/67/950032567.db2.gz KPWZGIQJYKUWOG-CHWSQXEVSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(CCF)CC2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576182030 950032587 /nfs/dbraw/zinc/03/25/87/950032587.db2.gz KPWZGIQJYKUWOG-CHWSQXEVSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@H]1CCN(C(=O)C(C)(C)C2CC2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576182322 950046591 /nfs/dbraw/zinc/04/65/91/950046591.db2.gz ZDIGWJQDLCWJGH-QWHCGFSZSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H]1CCN(C(=O)C(C)(C)C2CC2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576182322 950046609 /nfs/dbraw/zinc/04/66/09/950046609.db2.gz ZDIGWJQDLCWJGH-QWHCGFSZSA-N -1 1 384.488 1.989 20 0 GDADMM CCC(CC)(CNC(=O)c1nc(C)n(-c2nnc(C(F)(F)F)[nH]2)n1)C(=O)[O-] ZINC000262121872 950068423 /nfs/dbraw/zinc/06/84/23/950068423.db2.gz LIXXNWYFASHPSN-UHFFFAOYSA-N -1 1 389.338 1.333 20 0 GDADMM C[C@@H]1CCN(C(=O)COC(C)(C)C)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576182889 950068592 /nfs/dbraw/zinc/06/85/92/950068592.db2.gz NWIGLBTXEOKEDL-OLZOCXBDSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@@H]1CCN(C(=O)COC(C)(C)C)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576182889 950068614 /nfs/dbraw/zinc/06/86/14/950068614.db2.gz NWIGLBTXEOKEDL-OLZOCXBDSA-N -1 1 388.476 1.368 20 0 GDADMM CC1(C(=O)NCC2(Nc3cncc(-c4nnn[n-]4)n3)CC2)CCC(F)(F)CC1 ZINC001575582142 950103599 /nfs/dbraw/zinc/10/35/99/950103599.db2.gz GJBMLOCWUUQNEQ-UHFFFAOYSA-N -1 1 392.414 1.933 20 0 GDADMM CC1(C(=O)NCC2(Nc3cncc(-c4nn[n-]n4)n3)CC2)CCC(F)(F)CC1 ZINC001575582142 950103612 /nfs/dbraw/zinc/10/36/12/950103612.db2.gz GJBMLOCWUUQNEQ-UHFFFAOYSA-N -1 1 392.414 1.933 20 0 GDADMM CCCc1cc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])no1 ZINC001589689191 950105953 /nfs/dbraw/zinc/10/59/53/950105953.db2.gz SQDBCURJUWPLKD-MWLCHTKSSA-N -1 1 377.319 1.363 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cncs2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576183966 950110662 /nfs/dbraw/zinc/11/06/62/950110662.db2.gz ULYDDBCEVDGYET-WDEREUQCSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cncs2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576183966 950110669 /nfs/dbraw/zinc/11/06/69/950110669.db2.gz ULYDDBCEVDGYET-WDEREUQCSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H](C)Cc1ccccc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574733596 950118521 /nfs/dbraw/zinc/11/85/21/950118521.db2.gz DQUFAUBTIRBFIM-ZIAGYGMSSA-N -1 1 380.456 1.794 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H](C)Cc1ccccc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574733596 950118530 /nfs/dbraw/zinc/11/85/30/950118530.db2.gz DQUFAUBTIRBFIM-ZIAGYGMSSA-N -1 1 380.456 1.794 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccsc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574733952 950123234 /nfs/dbraw/zinc/12/32/34/950123234.db2.gz HTNOVLWYZXYTMJ-WCFLWFBJSA-N -1 1 384.469 1.781 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccsc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574733952 950123244 /nfs/dbraw/zinc/12/32/44/950123244.db2.gz HTNOVLWYZXYTMJ-WCFLWFBJSA-N -1 1 384.469 1.781 20 0 GDADMM CC(C)(C)CC(=O)N[C@@H]1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)C[C@@H]1O ZINC001573839153 950124161 /nfs/dbraw/zinc/12/41/61/950124161.db2.gz MNQAROOTXOYXJP-SFYZADRCSA-N -1 1 385.881 1.079 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574493305 950128645 /nfs/dbraw/zinc/12/86/45/950128645.db2.gz SCIJWWBIMHAMDM-GDBMZVCRSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574734743 950140341 /nfs/dbraw/zinc/14/03/41/950140341.db2.gz POMFESYMJUCKMO-HXFLIBJXSA-N -1 1 383.865 1.128 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574734743 950140353 /nfs/dbraw/zinc/14/03/53/950140353.db2.gz POMFESYMJUCKMO-HXFLIBJXSA-N -1 1 383.865 1.128 20 0 GDADMM C[C@@H](CC(=O)N[C@@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001574493947 950147602 /nfs/dbraw/zinc/14/76/02/950147602.db2.gz VOVHIPKVXIVJDA-UGSOOPFHSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](CC(=O)N[C@@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574493947 950147616 /nfs/dbraw/zinc/14/76/16/950147616.db2.gz VOVHIPKVXIVJDA-UGSOOPFHSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](CC(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)c1ccccc1 ZINC001574494185 950155305 /nfs/dbraw/zinc/15/53/05/950155305.db2.gz JFJLFXJRUWIHCP-AWEZNQCLSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@@H](CC(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)c1ccccc1 ZINC001574494185 950155323 /nfs/dbraw/zinc/15/53/23/950155323.db2.gz JFJLFXJRUWIHCP-AWEZNQCLSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@@H]1CCN(C(=O)Cc2ccccc2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576185075 950155881 /nfs/dbraw/zinc/15/58/81/950155881.db2.gz ZBFZIBMCMMNAFT-ZBFHGGJFSA-N -1 1 392.467 1.796 20 0 GDADMM C[C@@H]1CCN(C(=O)Cc2ccccc2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576185075 950155890 /nfs/dbraw/zinc/15/58/90/950155890.db2.gz ZBFZIBMCMMNAFT-ZBFHGGJFSA-N -1 1 392.467 1.796 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nn1)CC(C)(C)C ZINC001574494325 950160107 /nfs/dbraw/zinc/16/01/07/950160107.db2.gz KGIVBMVXYUPTSO-NWDGAFQWSA-N -1 1 376.465 1.008 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nn1)CC(C)(C)C ZINC001574494325 950160117 /nfs/dbraw/zinc/16/01/17/950160117.db2.gz KGIVBMVXYUPTSO-NWDGAFQWSA-N -1 1 376.465 1.008 20 0 GDADMM C[C@H]1CCN(C(=O)c2cscn2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576190881 950175880 /nfs/dbraw/zinc/17/58/80/950175880.db2.gz CIQDRLVTRFSKCQ-WDEREUQCSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H]1CCN(C(=O)c2cscn2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576190881 950175894 /nfs/dbraw/zinc/17/58/94/950175894.db2.gz CIQDRLVTRFSKCQ-WDEREUQCSA-N -1 1 385.457 1.324 20 0 GDADMM CC1(C(=O)NC[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)CC(F)(F)C1 ZINC001575584790 950177161 /nfs/dbraw/zinc/17/71/61/950177161.db2.gz SJCZYPSIVFMTGF-NSHDSACASA-N -1 1 392.414 1.425 20 0 GDADMM CC1(C(=O)NC[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)CC(F)(F)C1 ZINC001575584790 950177178 /nfs/dbraw/zinc/17/71/78/950177178.db2.gz SJCZYPSIVFMTGF-NSHDSACASA-N -1 1 392.414 1.425 20 0 GDADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CCc1ccoc1 ZINC001574155255 950186517 /nfs/dbraw/zinc/18/65/17/950186517.db2.gz KPURFJWJUKSVIU-CQSZACIVSA-N -1 1 384.444 1.247 20 0 GDADMM C[C@H](CC(=O)NC[C@H](Nc1nccnc1-c1nnn[n-]1)C1CC1)C(F)(F)F ZINC001574494924 950191703 /nfs/dbraw/zinc/19/17/03/950191703.db2.gz QJXXINQTUAYSCA-SCZZXKLOSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](CC(=O)NC[C@H](Nc1nccnc1-c1nn[n-]n1)C1CC1)C(F)(F)F ZINC001574494924 950191720 /nfs/dbraw/zinc/19/17/20/950191720.db2.gz QJXXINQTUAYSCA-SCZZXKLOSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cccn2C)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576191501 950200066 /nfs/dbraw/zinc/20/00/66/950200066.db2.gz IFWCHFVGHPMOAD-CHWSQXEVSA-N -1 1 381.444 1.206 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cccn2C)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576191501 950200077 /nfs/dbraw/zinc/20/00/77/950200077.db2.gz IFWCHFVGHPMOAD-CHWSQXEVSA-N -1 1 381.444 1.206 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](CO)Nc1snc(Cl)c1-c1nnn[n-]1)C1CC1 ZINC001574496989 950222428 /nfs/dbraw/zinc/22/24/28/950222428.db2.gz YBBMRBVHJQEMMR-IONNQARKSA-N -1 1 385.881 1.302 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](CO)Nc1snc(Cl)c1-c1nn[n-]n1)C1CC1 ZINC001574496989 950222448 /nfs/dbraw/zinc/22/24/48/950222448.db2.gz YBBMRBVHJQEMMR-IONNQARKSA-N -1 1 385.881 1.302 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H](C)c1ccco1 ZINC001574156233 950231413 /nfs/dbraw/zinc/23/14/13/950231413.db2.gz ZGYZZCNKNVVDLX-STQMWFEESA-N -1 1 384.444 1.996 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H](C)c1ccco1 ZINC001574156233 950231431 /nfs/dbraw/zinc/23/14/31/950231431.db2.gz ZGYZZCNKNVVDLX-STQMWFEESA-N -1 1 384.444 1.996 20 0 GDADMM C[C@@H](CC(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1)C1CC1 ZINC001574497772 950243829 /nfs/dbraw/zinc/24/38/29/950243829.db2.gz CRPBATUOPYISOU-NSHDSACASA-N -1 1 376.486 1.027 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001573846700 950250400 /nfs/dbraw/zinc/25/04/00/950250400.db2.gz UQMUOPBYMNDDTK-MELADBBJSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001573846700 950250421 /nfs/dbraw/zinc/25/04/21/950250421.db2.gz UQMUOPBYMNDDTK-MELADBBJSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2occc2Cl)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575902437 950260201 /nfs/dbraw/zinc/26/02/01/950260201.db2.gz UWLPFCUPNDHOIJ-GXSJLCMTSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1)c1ccccc1 ZINC001574498211 950263198 /nfs/dbraw/zinc/26/31/98/950263198.db2.gz LEWSONDQFKEQCV-CYBMUJFWSA-N -1 1 378.440 1.911 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1)c1ccccc1 ZINC001574498211 950263213 /nfs/dbraw/zinc/26/32/13/950263213.db2.gz LEWSONDQFKEQCV-CYBMUJFWSA-N -1 1 378.440 1.911 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCC1)c1ccco1 ZINC001574498480 950276935 /nfs/dbraw/zinc/27/69/35/950276935.db2.gz NZHXJUHGMCBUOA-GFCCVEGCSA-N -1 1 382.428 1.316 20 0 GDADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1occc1Cl ZINC001574158730 950285432 /nfs/dbraw/zinc/28/54/32/950285432.db2.gz RIEJJYUHCKDXQJ-SNVBAGLBSA-N -1 1 390.835 1.582 20 0 GDADMM C[C@H]1CCN(C(=O)c2cscn2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576193138 950287351 /nfs/dbraw/zinc/28/73/51/950287351.db2.gz SCDQCBBYZKBSHI-QWRGUYRKSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H]1CCN(C(=O)c2cscn2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576193138 950287366 /nfs/dbraw/zinc/28/73/66/950287366.db2.gz SCDQCBBYZKBSHI-QWRGUYRKSA-N -1 1 385.457 1.324 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H](C)C(C)(F)F ZINC001574158903 950297120 /nfs/dbraw/zinc/29/71/20/950297120.db2.gz FCCUWESOTSHVOQ-QWRGUYRKSA-N -1 1 382.419 1.891 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)C(C)(F)F ZINC001574158903 950297134 /nfs/dbraw/zinc/29/71/34/950297134.db2.gz FCCUWESOTSHVOQ-QWRGUYRKSA-N -1 1 382.419 1.891 20 0 GDADMM C[C@@H]1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576193487 950301251 /nfs/dbraw/zinc/30/12/51/950301251.db2.gz VIWYVUMKAIHNLI-NIFZNCRKSA-N -1 1 382.472 1.599 20 0 GDADMM C[C@@H]1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576193487 950301274 /nfs/dbraw/zinc/30/12/74/950301274.db2.gz VIWYVUMKAIHNLI-NIFZNCRKSA-N -1 1 382.472 1.599 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cccn2C)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576193522 950302305 /nfs/dbraw/zinc/30/23/05/950302305.db2.gz VSZVCLUCOZJDCP-CHWSQXEVSA-N -1 1 381.444 1.206 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cccn2C)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576193522 950302324 /nfs/dbraw/zinc/30/23/24/950302324.db2.gz VSZVCLUCOZJDCP-CHWSQXEVSA-N -1 1 381.444 1.206 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C[C@H]1CCCOC1 ZINC001574159610 950311483 /nfs/dbraw/zinc/31/14/83/950311483.db2.gz WSBRJEIIHYKUEZ-KGLIPLIRSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@H]1CCCOC1 ZINC001574159610 950311491 /nfs/dbraw/zinc/31/14/91/950311491.db2.gz WSBRJEIIHYKUEZ-KGLIPLIRSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccccc2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576193743 950311756 /nfs/dbraw/zinc/31/17/56/950311756.db2.gz WRLSXNPQMWNDHG-HIFRSBDPSA-N -1 1 378.440 1.867 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccccc2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576193743 950311778 /nfs/dbraw/zinc/31/17/78/950311778.db2.gz WRLSXNPQMWNDHG-HIFRSBDPSA-N -1 1 378.440 1.867 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[C@@](C)(O)C1CC1 ZINC001574159790 950321711 /nfs/dbraw/zinc/32/17/11/950321711.db2.gz IZPSNIQCSWDVOJ-FZKQIMNGSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[C@@](C)(O)C1CC1 ZINC001574159790 950321736 /nfs/dbraw/zinc/32/17/36/950321736.db2.gz IZPSNIQCSWDVOJ-FZKQIMNGSA-N -1 1 388.476 1.151 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001574501067 950322577 /nfs/dbraw/zinc/32/25/77/950322577.db2.gz ASPMUPONGGTWHX-HUUCEWRRSA-N -1 1 392.467 1.793 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574501067 950322604 /nfs/dbraw/zinc/32/26/04/950322604.db2.gz ASPMUPONGGTWHX-HUUCEWRRSA-N -1 1 392.467 1.793 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001574501313 950333109 /nfs/dbraw/zinc/33/31/09/950333109.db2.gz CXQVWIUPAFNQSC-CHWSQXEVSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001574501313 950333130 /nfs/dbraw/zinc/33/31/30/950333130.db2.gz CXQVWIUPAFNQSC-CHWSQXEVSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1)c1ccco1 ZINC001574501689 950340195 /nfs/dbraw/zinc/34/01/95/950340195.db2.gz GGZOVDMGFFYHBX-QWHCGFSZSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1)c1ccco1 ZINC001574501689 950340212 /nfs/dbraw/zinc/34/02/12/950340212.db2.gz GGZOVDMGFFYHBX-QWHCGFSZSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccn(C)c2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576194474 950344277 /nfs/dbraw/zinc/34/42/77/950344277.db2.gz ZEKFLFBUHWIVBT-OCCSQVGLSA-N -1 1 381.444 1.206 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccn(C)c2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576194474 950344300 /nfs/dbraw/zinc/34/43/00/950344300.db2.gz ZEKFLFBUHWIVBT-OCCSQVGLSA-N -1 1 381.444 1.206 20 0 GDADMM C[C@]1(C(=O)NC[C@H]2CN(Cc3ccc(-c4nn[n-]n4)s3)CCO2)C=CCC1 ZINC001575595080 950347862 /nfs/dbraw/zinc/34/78/62/950347862.db2.gz MVSNTSQGPWXHTA-UGSOOPFHSA-N -1 1 388.497 1.602 20 0 GDADMM CC1(C(=O)NC[C@@H]2Cc3ccccc3CN2c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001575596598 950383531 /nfs/dbraw/zinc/38/35/31/950383531.db2.gz TYQIOIBDZAARAJ-HNNXBMFYSA-N -1 1 390.451 1.504 20 0 GDADMM CC1(C(=O)NC[C@@H]2Cc3ccccc3CN2c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001575596598 950383549 /nfs/dbraw/zinc/38/35/49/950383549.db2.gz TYQIOIBDZAARAJ-HNNXBMFYSA-N -1 1 390.451 1.504 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccncc1F ZINC001574162554 950389907 /nfs/dbraw/zinc/38/99/07/950389907.db2.gz CWRUILYWOSPGIK-LLVKDONJSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccncc1F ZINC001574162554 950389931 /nfs/dbraw/zinc/38/99/31/950389931.db2.gz CWRUILYWOSPGIK-LLVKDONJSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@H]1CCCOC1 ZINC001574162736 950400642 /nfs/dbraw/zinc/40/06/42/950400642.db2.gz HZMOKBHWHCZXAB-KGLIPLIRSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@H]1CCCOC1 ZINC001574162736 950400657 /nfs/dbraw/zinc/40/06/57/950400657.db2.gz HZMOKBHWHCZXAB-KGLIPLIRSA-N -1 1 388.476 1.416 20 0 GDADMM CC1(C(=O)NC[C@H]2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CC(F)(F)C1 ZINC001575597701 950420039 /nfs/dbraw/zinc/42/00/39/950420039.db2.gz WDRQKMDKZPKUEN-WDEREUQCSA-N -1 1 392.414 1.789 20 0 GDADMM CC1(C(=O)NC[C@H]2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CC(F)(F)C1 ZINC001575597701 950420052 /nfs/dbraw/zinc/42/00/52/950420052.db2.gz WDRQKMDKZPKUEN-WDEREUQCSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574503968 950422994 /nfs/dbraw/zinc/42/29/94/950422994.db2.gz ZBCYGGKSLBANNL-KBPBESRZSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@H](CC(=O)NCCN(c1nccnc1-c1nnn[n-]1)C1CC1)c1ccccc1 ZINC001574506716 950441389 /nfs/dbraw/zinc/44/13/89/950441389.db2.gz BZGYHQKBKBXQEN-CQSZACIVSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H](CC(=O)NCCN(c1nccnc1-c1nn[n-]n1)C1CC1)c1ccccc1 ZINC001574506716 950441402 /nfs/dbraw/zinc/44/14/02/950441402.db2.gz BZGYHQKBKBXQEN-CQSZACIVSA-N -1 1 392.467 1.936 20 0 GDADMM CC(C)CC1(C(=O)NC2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)CCC1 ZINC001574165496 950445417 /nfs/dbraw/zinc/44/54/17/950445417.db2.gz FEQDUZBGFNJBIH-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CC1(C(=O)NC2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)CCC1 ZINC001574165496 950445431 /nfs/dbraw/zinc/44/54/31/950445431.db2.gz FEQDUZBGFNJBIH-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc2c([nH]1)CCCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574751245 950456656 /nfs/dbraw/zinc/45/66/56/950456656.db2.gz LVOOHLQEVYAPRP-NSHDSACASA-N -1 1 381.444 1.436 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc2c([nH]1)CCCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574751245 950456666 /nfs/dbraw/zinc/45/66/66/950456666.db2.gz LVOOHLQEVYAPRP-NSHDSACASA-N -1 1 381.444 1.436 20 0 GDADMM C[C@@H](CC(=O)N[C@@H](C)C1CCN(c2nccnc2-c2nnn[n-]2)CC1)C1CC1 ZINC001574507939 950461677 /nfs/dbraw/zinc/46/16/77/950461677.db2.gz LBYQRWUOLFQUKM-STQMWFEESA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](CC(=O)N[C@@H](C)C1CCN(c2nccnc2-c2nn[n-]n2)CC1)C1CC1 ZINC001574507939 950461696 /nfs/dbraw/zinc/46/16/96/950461696.db2.gz LBYQRWUOLFQUKM-STQMWFEESA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](CC(=O)NCC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C)C1CC1 ZINC001574507681 950462529 /nfs/dbraw/zinc/46/25/29/950462529.db2.gz HGVPMQBQACUYAY-GZBFAFLISA-N -1 1 384.488 1.672 20 0 GDADMM C[C@@H](CC(=O)NCC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C)C1CC1 ZINC001574507681 950462547 /nfs/dbraw/zinc/46/25/47/950462547.db2.gz HGVPMQBQACUYAY-GZBFAFLISA-N -1 1 384.488 1.672 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001574507951 950465290 /nfs/dbraw/zinc/46/52/90/950465290.db2.gz LDLQYIFULWQCSW-LPEHRKFASA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001574507951 950465298 /nfs/dbraw/zinc/46/52/98/950465298.db2.gz LDLQYIFULWQCSW-LPEHRKFASA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc2c(c1)CCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574752609 950491452 /nfs/dbraw/zinc/49/14/52/950491452.db2.gz DKFQDPJPUWJPPN-GFCCVEGCSA-N -1 1 378.440 1.718 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc2c(c1)CCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574752609 950491462 /nfs/dbraw/zinc/49/14/62/950491462.db2.gz DKFQDPJPUWJPPN-GFCCVEGCSA-N -1 1 378.440 1.718 20 0 GDADMM C[C@H](CC(=O)NCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1)c1ccco1 ZINC001574509060 950496868 /nfs/dbraw/zinc/49/68/68/950496868.db2.gz ORUGPQMIICQUPH-GFCCVEGCSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](CC(=O)NCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1)c1ccco1 ZINC001574509060 950496883 /nfs/dbraw/zinc/49/68/83/950496883.db2.gz ORUGPQMIICQUPH-GFCCVEGCSA-N -1 1 382.428 1.529 20 0 GDADMM CC(C)(C)OCC(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001573866454 950503071 /nfs/dbraw/zinc/50/30/71/950503071.db2.gz CRERJMVZJVGSFZ-CHWSQXEVSA-N -1 1 386.460 1.042 20 0 GDADMM CC1(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CCC(F)(F)CC1 ZINC001575608046 950512211 /nfs/dbraw/zinc/51/22/11/950512211.db2.gz MKRQVQSYCLPZDO-PHIMTYICSA-N -1 1 392.414 1.931 20 0 GDADMM CC1(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CCC(F)(F)CC1 ZINC001575608046 950512233 /nfs/dbraw/zinc/51/22/33/950512233.db2.gz MKRQVQSYCLPZDO-PHIMTYICSA-N -1 1 392.414 1.931 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)n1cccc1 ZINC001574510898 950550847 /nfs/dbraw/zinc/55/08/47/950550847.db2.gz DHLPLZUZTKGZJA-HZSPNIEDSA-N -1 1 381.444 1.050 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)n1cccc1 ZINC001574510898 950550860 /nfs/dbraw/zinc/55/08/60/950550860.db2.gz DHLPLZUZTKGZJA-HZSPNIEDSA-N -1 1 381.444 1.050 20 0 GDADMM C[C@@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574997739 950552574 /nfs/dbraw/zinc/55/25/74/950552574.db2.gz XVHWDFXFZARHBL-SNVBAGLBSA-N -1 1 384.448 1.155 20 0 GDADMM C[C@@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574997739 950552586 /nfs/dbraw/zinc/55/25/86/950552586.db2.gz XVHWDFXFZARHBL-SNVBAGLBSA-N -1 1 384.448 1.155 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001573869253 950561385 /nfs/dbraw/zinc/56/13/85/950561385.db2.gz NDBKMQJNTDHXIA-OLZOCXBDSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001573869253 950561395 /nfs/dbraw/zinc/56/13/95/950561395.db2.gz NDBKMQJNTDHXIA-OLZOCXBDSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)c1ccc(C(=O)N(C)C[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)nc1 ZINC001574754161 950562872 /nfs/dbraw/zinc/56/28/72/950562872.db2.gz YVMJHAAUWMCQCC-LBPRGKRZSA-N -1 1 381.444 1.748 20 0 GDADMM CC(C)c1ccc(C(=O)N(C)C[C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)nc1 ZINC001574754161 950562888 /nfs/dbraw/zinc/56/28/88/950562888.db2.gz YVMJHAAUWMCQCC-LBPRGKRZSA-N -1 1 381.444 1.748 20 0 GDADMM CC(C)c1ccc(C(=O)N(C)C[C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)nc1 ZINC001574754130 950565480 /nfs/dbraw/zinc/56/54/80/950565480.db2.gz YEPJCZPXHSUWSI-GFCCVEGCSA-N -1 1 381.444 1.170 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)ccc1F)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574999047 950570230 /nfs/dbraw/zinc/57/02/30/950570230.db2.gz DXFJDMCXIPJNKD-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM CC1(C)C(C(=O)NCC[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1(C)C ZINC001575615620 950571845 /nfs/dbraw/zinc/57/18/45/950571845.db2.gz DIEOLPAJNQAWTJ-LBPRGKRZSA-N -1 1 384.488 1.672 20 0 GDADMM CC1(C)C(C(=O)NCC[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1(C)C ZINC001575615620 950571863 /nfs/dbraw/zinc/57/18/63/950571863.db2.gz DIEOLPAJNQAWTJ-LBPRGKRZSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)(C)OCC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001573870439 950591339 /nfs/dbraw/zinc/59/13/39/950591339.db2.gz WMOFNNRLBSDMMT-YHWZYXNKSA-N -1 1 386.460 1.088 20 0 GDADMM CC(C)(C)OCC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001573870439 950591356 /nfs/dbraw/zinc/59/13/56/950591356.db2.gz WMOFNNRLBSDMMT-YHWZYXNKSA-N -1 1 386.460 1.088 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccc(C(F)F)o1 ZINC001575918657 950599303 /nfs/dbraw/zinc/59/93/03/950599303.db2.gz DLUDDQXURWTKML-RKDXNWHRSA-N -1 1 390.354 1.902 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccc(C(F)F)o1 ZINC001575918657 950599324 /nfs/dbraw/zinc/59/93/24/950599324.db2.gz DLUDDQXURWTKML-RKDXNWHRSA-N -1 1 390.354 1.902 20 0 GDADMM CC1(C)C(C(=O)NCCC2(CNc3ccnc(-c4nn[n-]n4)n3)CC2)C1(C)C ZINC001575617283 950600161 /nfs/dbraw/zinc/60/01/61/950600161.db2.gz ZPQQEVUCXHZEQS-UHFFFAOYSA-N -1 1 384.488 1.459 20 0 GDADMM CC1(C)C(C(=O)N2CC[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]32)C1(C)C ZINC001575619853 950623797 /nfs/dbraw/zinc/62/37/97/950623797.db2.gz QXMKYUWEZTZFAR-NWDGAFQWSA-N -1 1 382.472 1.376 20 0 GDADMM CC1(C)C2CCC1(C(=O)N1CC[C@H](Nc3nccnc3-c3nnn[n-]3)C1)CC2 ZINC001575622747 950644933 /nfs/dbraw/zinc/64/49/33/950644933.db2.gz GLPHWGMVQLOQMB-MLZJXEJWSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(C)C2CCC1(C(=O)N1CC[C@H](Nc3nccnc3-c3nn[n-]n3)C1)CC2 ZINC001575622747 950644948 /nfs/dbraw/zinc/64/49/48/950644948.db2.gz GLPHWGMVQLOQMB-MLZJXEJWSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)ccc1Cl)CNc1nccnc1-c1nnn[n-]1 ZINC001575001882 950647087 /nfs/dbraw/zinc/64/70/87/950647087.db2.gz OARZGJOAEKDDHX-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)ccc1Cl)CNc1nccnc1-c1nn[n-]n1 ZINC001575001882 950647100 /nfs/dbraw/zinc/64/71/00/950647100.db2.gz OARZGJOAEKDDHX-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1 ZINC001574518248 950649936 /nfs/dbraw/zinc/64/99/36/950649936.db2.gz MWFVKYOGANKNJY-BPLDGKMQSA-N -1 1 378.440 1.910 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1 ZINC001574518248 950649952 /nfs/dbraw/zinc/64/99/52/950649952.db2.gz MWFVKYOGANKNJY-BPLDGKMQSA-N -1 1 378.440 1.910 20 0 GDADMM CC1(C)CC(C(=O)N2CCC[C@H]3[C@H]2CCN3c2nccnc2-c2nnn[n-]2)C1 ZINC001575625820 950694668 /nfs/dbraw/zinc/69/46/68/950694668.db2.gz XFNMJSAGYHHSAC-UONOGXRCSA-N -1 1 382.472 1.663 20 0 GDADMM CC1(C)CC(C(=O)N2CCC[C@H]3[C@H]2CCN3c2nccnc2-c2nn[n-]n2)C1 ZINC001575625820 950694683 /nfs/dbraw/zinc/69/46/83/950694683.db2.gz XFNMJSAGYHHSAC-UONOGXRCSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccsc1Cl)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574761625 950695696 /nfs/dbraw/zinc/69/56/96/950695696.db2.gz UITQUVWNWZHIBF-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccsc1Cl)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574761625 950695707 /nfs/dbraw/zinc/69/57/07/950695707.db2.gz UITQUVWNWZHIBF-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573878084 950701992 /nfs/dbraw/zinc/70/19/92/950701992.db2.gz JYBHTPKVGXZUKF-MGPQQGTHSA-N -1 1 384.488 1.554 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCCC(F)(F)F ZINC001575926467 950710743 /nfs/dbraw/zinc/71/07/43/950710743.db2.gz KHDPCZCYXCMHLW-UWVGGRQHSA-N -1 1 384.366 1.791 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCCC(F)(F)F ZINC001575926467 950710756 /nfs/dbraw/zinc/71/07/56/950710756.db2.gz KHDPCZCYXCMHLW-UWVGGRQHSA-N -1 1 384.366 1.791 20 0 GDADMM C[C@H](CNC(=O)c1cc2ccccc2n1C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575006284 950720847 /nfs/dbraw/zinc/72/08/47/950720847.db2.gz UWHMBXDUXSHNIZ-GFCCVEGCSA-N -1 1 391.439 1.403 20 0 GDADMM C[C@H](CNC(=O)c1cc2ccccc2n1C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575006284 950720858 /nfs/dbraw/zinc/72/08/58/950720858.db2.gz UWHMBXDUXSHNIZ-GFCCVEGCSA-N -1 1 391.439 1.403 20 0 GDADMM CC(C)c1ncncc1C(=O)N(C)C[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574763850 950734196 /nfs/dbraw/zinc/73/41/96/950734196.db2.gz MBZYUNITEWCWQK-NSHDSACASA-N -1 1 382.432 1.143 20 0 GDADMM CC(C)c1ncncc1C(=O)N(C)C[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574763850 950734208 /nfs/dbraw/zinc/73/42/08/950734208.db2.gz MBZYUNITEWCWQK-NSHDSACASA-N -1 1 382.432 1.143 20 0 GDADMM CC1(C)CC(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575629541 950738235 /nfs/dbraw/zinc/73/82/35/950738235.db2.gz OXNKYTJMDPELFS-AGUYFDCRSA-N -1 1 382.472 1.709 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1cscn1 ZINC001575927521 950743757 /nfs/dbraw/zinc/74/37/57/950743757.db2.gz PWVDDCSZUQHIGF-JQWIXIFHSA-N -1 1 385.457 1.147 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1cscn1 ZINC001575927521 950743786 /nfs/dbraw/zinc/74/37/86/950743786.db2.gz PWVDDCSZUQHIGF-JQWIXIFHSA-N -1 1 385.457 1.147 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576216996 950750013 /nfs/dbraw/zinc/75/00/13/950750013.db2.gz FTCYAXFOXWCVTP-KOLCDFICSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576216996 950750027 /nfs/dbraw/zinc/75/00/27/950750027.db2.gz FTCYAXFOXWCVTP-KOLCDFICSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@H](CN(C)C(=O)c1cncn1C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574764521 950751228 /nfs/dbraw/zinc/75/12/28/950751228.db2.gz UYYLMKBMQQIDIB-SSDOTTSWSA-N -1 1 381.853 1.283 20 0 GDADMM CC1(C)CC(C(=O)N[C@@]23CCC[C@H]2N(c2ccnc(-c4nn[n-]n4)n2)CC3)C1 ZINC001575629986 950751426 /nfs/dbraw/zinc/75/14/26/950751426.db2.gz XUPRCYWWTFQMGB-BFUOFWGJSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)COc1ccsc1 ZINC001575927715 950751449 /nfs/dbraw/zinc/75/14/49/950751449.db2.gz SNRLLQKVGKDJFG-PWSUYJOCSA-N -1 1 386.441 1.199 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)COc1ccsc1 ZINC001575927715 950751467 /nfs/dbraw/zinc/75/14/67/950751467.db2.gz SNRLLQKVGKDJFG-PWSUYJOCSA-N -1 1 386.441 1.199 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576217070 950753552 /nfs/dbraw/zinc/75/35/52/950753552.db2.gz GSWDHVLJVFUDQR-ZJUUUORDSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576217070 950753566 /nfs/dbraw/zinc/75/35/66/950753566.db2.gz GSWDHVLJVFUDQR-ZJUUUORDSA-N -1 1 378.387 1.351 20 0 GDADMM CC(C)(C)c1cccc(C(=O)NCCCNc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001573882123 950769303 /nfs/dbraw/zinc/76/93/03/950769303.db2.gz SZXHGMOUWNAHRP-UHFFFAOYSA-N -1 1 380.456 1.608 20 0 GDADMM CC(C)(C)c1n[nH]cc1C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573883995 950779338 /nfs/dbraw/zinc/77/93/38/950779338.db2.gz BFAFOMPUVVZNFW-MGCOHNPYSA-N -1 1 382.432 1.050 20 0 GDADMM CC(C)(C)c1n[nH]cc1C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573883995 950779348 /nfs/dbraw/zinc/77/93/48/950779348.db2.gz BFAFOMPUVVZNFW-MGCOHNPYSA-N -1 1 382.432 1.050 20 0 GDADMM C[C@H]1CN(C(=O)C(C2CC2)C2CC2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576218407 950791858 /nfs/dbraw/zinc/79/18/58/950791858.db2.gz LVVVPSYIGQLKHN-SMDDNHRTSA-N -1 1 382.472 1.599 20 0 GDADMM C[C@H]1CN(C(=O)C(C2CC2)C2CC2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576218407 950791878 /nfs/dbraw/zinc/79/18/78/950791878.db2.gz LVVVPSYIGQLKHN-SMDDNHRTSA-N -1 1 382.472 1.599 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccc(Cl)cn1 ZINC001575930045 950793038 /nfs/dbraw/zinc/79/30/38/950793038.db2.gz DHAPJUPMGFTVPN-MWLCHTKSSA-N -1 1 385.819 1.420 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(Cl)cn1 ZINC001575930045 950793052 /nfs/dbraw/zinc/79/30/52/950793052.db2.gz DHAPJUPMGFTVPN-MWLCHTKSSA-N -1 1 385.819 1.420 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C(F)(F)F)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576219087 950799292 /nfs/dbraw/zinc/79/92/92/950799292.db2.gz SJGDSEKBGKVCAU-SCZZXKLOSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C(F)(F)F)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576219087 950799306 /nfs/dbraw/zinc/79/93/06/950799306.db2.gz SJGDSEKBGKVCAU-SCZZXKLOSA-N -1 1 384.366 1.504 20 0 GDADMM CC(C)CCCC(=O)N1CC[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001574186304 950807451 /nfs/dbraw/zinc/80/74/51/950807451.db2.gz CARNOEZUGOFVAC-IBGZPJMESA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)CCCC(=O)N1CC[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001574186304 950807474 /nfs/dbraw/zinc/80/74/74/950807474.db2.gz CARNOEZUGOFVAC-IBGZPJMESA-N -1 1 384.488 1.912 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cscc1Cl)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574766127 950808273 /nfs/dbraw/zinc/80/82/73/950808273.db2.gz KBIXAANNKHLBQR-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cscc1Cl)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574766127 950808304 /nfs/dbraw/zinc/80/83/04/950808304.db2.gz KBIXAANNKHLBQR-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CN(C)C(=O)c1noc2c1CCCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574766348 950816565 /nfs/dbraw/zinc/81/65/65/950816565.db2.gz ISHNPUAUCVPZBA-SNVBAGLBSA-N -1 1 383.416 1.096 20 0 GDADMM C[C@H](CN(C)C(=O)c1noc2c1CCCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574766348 950816585 /nfs/dbraw/zinc/81/65/85/950816585.db2.gz ISHNPUAUCVPZBA-SNVBAGLBSA-N -1 1 383.416 1.096 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576220081 950818685 /nfs/dbraw/zinc/81/86/85/950818685.db2.gz QIFIHFNYNRTSML-GHMZBOCLSA-N -1 1 392.414 1.163 20 0 GDADMM C[C@H](CN(C)C(=O)c1onc2c1CCCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001574766637 950822672 /nfs/dbraw/zinc/82/26/72/950822672.db2.gz JXWKQSDOLQGRRH-SNVBAGLBSA-N -1 1 383.416 1.096 20 0 GDADMM C[C@H](CN(C)C(=O)c1onc2c1CCCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001574766637 950822691 /nfs/dbraw/zinc/82/26/91/950822691.db2.gz JXWKQSDOLQGRRH-SNVBAGLBSA-N -1 1 383.416 1.096 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)c2ccccc2)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576220108 950823079 /nfs/dbraw/zinc/82/30/79/950823079.db2.gz QKZDBJZRQFFADY-DZGCQCFKSA-N -1 1 392.467 1.893 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)c2ccccc2)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576220108 950823107 /nfs/dbraw/zinc/82/31/07/950823107.db2.gz QKZDBJZRQFFADY-DZGCQCFKSA-N -1 1 392.467 1.893 20 0 GDADMM CC(C)CCCC(=O)N1CC[C@@H]2[C@H](CCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574186984 950824998 /nfs/dbraw/zinc/82/49/98/950824998.db2.gz LCRDRTJALJQELC-GDBMZVCRSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CCCC(=O)N1CC[C@@H]2[C@H](CCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574186984 950825019 /nfs/dbraw/zinc/82/50/19/950825019.db2.gz LCRDRTJALJQELC-GDBMZVCRSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)c1nnsc1C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574766816 950825636 /nfs/dbraw/zinc/82/56/36/950825636.db2.gz LCCOWCKXSBVSBQ-SECBINFHSA-N -1 1 388.461 1.204 20 0 GDADMM CC(C)c1nnsc1C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574766816 950825660 /nfs/dbraw/zinc/82/56/60/950825660.db2.gz LCCOWCKXSBVSBQ-SECBINFHSA-N -1 1 388.461 1.204 20 0 GDADMM CC(C)(C)c1n[nH]cc1C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573885445 950828534 /nfs/dbraw/zinc/82/85/34/950828534.db2.gz XAYQPRSYKDXVDC-SNVBAGLBSA-N -1 1 382.432 1.004 20 0 GDADMM CC(C)(C)c1n[nH]cc1C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573885445 950828551 /nfs/dbraw/zinc/82/85/51/950828551.db2.gz XAYQPRSYKDXVDC-SNVBAGLBSA-N -1 1 382.432 1.004 20 0 GDADMM C[C@@H](CN(C)C(=O)c1scnc1Cl)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574767146 950834258 /nfs/dbraw/zinc/83/42/58/950834258.db2.gz MFWGUNQBMOHJRB-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CN(C)C(=O)c1scnc1Cl)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574767146 950834274 /nfs/dbraw/zinc/83/42/74/950834274.db2.gz MFWGUNQBMOHJRB-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576220639 950835286 /nfs/dbraw/zinc/83/52/86/950835286.db2.gz RZCZKRIDZKZCCV-GXSJLCMTSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576220639 950835308 /nfs/dbraw/zinc/83/53/08/950835308.db2.gz RZCZKRIDZKZCCV-GXSJLCMTSA-N -1 1 378.387 1.351 20 0 GDADMM CC1(C)C[C@@H](NC(=O)[C@H]2CC23CC3)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575638552 950838053 /nfs/dbraw/zinc/83/80/53/950838053.db2.gz HJMLZTQYTWOCIC-QWHCGFSZSA-N -1 1 382.472 1.568 20 0 GDADMM CC1(C)C[C@@H](NC(=O)[C@H]2CC23CC3)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575638552 950838081 /nfs/dbraw/zinc/83/80/81/950838081.db2.gz HJMLZTQYTWOCIC-QWHCGFSZSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cccc2c1OCC2 ZINC001575935137 950871926 /nfs/dbraw/zinc/87/19/26/950871926.db2.gz VNSOAXZTLWOWKZ-RISCZKNCSA-N -1 1 392.423 1.307 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cccc2c1OCC2 ZINC001575935137 950871940 /nfs/dbraw/zinc/87/19/40/950871940.db2.gz VNSOAXZTLWOWKZ-RISCZKNCSA-N -1 1 392.423 1.307 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)n1 ZINC001573888668 950876521 /nfs/dbraw/zinc/87/65/21/950876521.db2.gz YFHRFMGIYDQEJD-GFCCVEGCSA-N -1 1 386.460 1.405 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)n1 ZINC001573888668 950876540 /nfs/dbraw/zinc/87/65/40/950876540.db2.gz YFHRFMGIYDQEJD-GFCCVEGCSA-N -1 1 386.460 1.405 20 0 GDADMM C[C@@H](CN(C)C(=O)c1coc(C(C)(C)C)n1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574768060 950881360 /nfs/dbraw/zinc/88/13/60/950881360.db2.gz XHTMOGRZUGQZTO-JTQLQIEISA-N -1 1 385.432 1.515 20 0 GDADMM C[C@@H](CN(C)C(=O)c1coc(C(C)(C)C)n1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574768060 950881378 /nfs/dbraw/zinc/88/13/78/950881378.db2.gz XHTMOGRZUGQZTO-JTQLQIEISA-N -1 1 385.432 1.515 20 0 GDADMM CC1(C)C[C@H]1C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)CC(C)(C)C1 ZINC001575640006 950887922 /nfs/dbraw/zinc/88/79/22/950887922.db2.gz WDZKCXSGEYLYJF-OLZOCXBDSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C[C@H]1C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)CC(C)(C)C1 ZINC001575640006 950887929 /nfs/dbraw/zinc/88/79/29/950887929.db2.gz WDZKCXSGEYLYJF-OLZOCXBDSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C[C@H]1C(=O)N(CCO)CCNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575640810 950899597 /nfs/dbraw/zinc/89/95/97/950899597.db2.gz KPRVNFOCNRFULD-QMMMGPOBSA-N -1 1 385.881 1.256 20 0 GDADMM CC1(C)C[C@H]1C(=O)N(CCO)CCNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575640810 950899613 /nfs/dbraw/zinc/89/96/13/950899613.db2.gz KPRVNFOCNRFULD-QMMMGPOBSA-N -1 1 385.881 1.256 20 0 GDADMM CC(C)CCCC(=O)NC[C@H](O)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001574190402 950913656 /nfs/dbraw/zinc/91/36/56/950913656.db2.gz XTFHIOWXLBRBNY-VIFPVBQESA-N -1 1 387.897 1.692 20 0 GDADMM CC(C)CCCC(=O)NC[C@H](O)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001574190402 950913670 /nfs/dbraw/zinc/91/36/70/950913670.db2.gz XTFHIOWXLBRBNY-VIFPVBQESA-N -1 1 387.897 1.692 20 0 GDADMM CC1(C)C[C@H](NC(=O)c2cc[nH]c2)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575641750 950927546 /nfs/dbraw/zinc/92/75/46/950927546.db2.gz QLIREFHYDVGHJJ-CYBMUJFWSA-N -1 1 381.444 1.410 20 0 GDADMM CC1(C)C[C@H](NC(=O)c2cc[nH]c2)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575641750 950927564 /nfs/dbraw/zinc/92/75/64/950927564.db2.gz QLIREFHYDVGHJJ-CYBMUJFWSA-N -1 1 381.444 1.410 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N1CC[C@]2(C1)CCCN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001575641738 950929023 /nfs/dbraw/zinc/92/90/23/950929023.db2.gz DMBLWCCCLKHKKX-BFUOFWGJSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N1CC[C@]2(C1)CCCN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001575641738 950929050 /nfs/dbraw/zinc/92/90/50/950929050.db2.gz DMBLWCCCLKHKKX-BFUOFWGJSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H]1CN(C(=O)CC(C)(C)C2CC2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576228127 950933972 /nfs/dbraw/zinc/93/39/72/950933972.db2.gz JDARDIHKXQISBY-OLZOCXBDSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H]1CN(C(=O)CC(C)(C)C2CC2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576228127 950933986 /nfs/dbraw/zinc/93/39/86/950933986.db2.gz JDARDIHKXQISBY-OLZOCXBDSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H]1CN(C(=O)CC(C)(C)C2CC2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576228128 950934620 /nfs/dbraw/zinc/93/46/20/950934620.db2.gz JDARDIHKXQISBY-QWHCGFSZSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H]1CN(C(=O)CC(C)(C)C2CC2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576228128 950934633 /nfs/dbraw/zinc/93/46/33/950934633.db2.gz JDARDIHKXQISBY-QWHCGFSZSA-N -1 1 384.488 1.989 20 0 GDADMM CC1(C)C[C@@H](NC(=O)c2cocn2)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575642367 950943882 /nfs/dbraw/zinc/94/38/82/950943882.db2.gz UBJPXXGUPUJGBI-NSHDSACASA-N -1 1 383.416 1.070 20 0 GDADMM CC1(C)C[C@@H](NC(=O)c2cocn2)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575642367 950943897 /nfs/dbraw/zinc/94/38/97/950943897.db2.gz UBJPXXGUPUJGBI-NSHDSACASA-N -1 1 383.416 1.070 20 0 GDADMM CC1(C)C[C@H](NC(=O)c2ccoc2)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575642560 950945524 /nfs/dbraw/zinc/94/55/24/950945524.db2.gz VVRSTJGUXLLMRR-CYBMUJFWSA-N -1 1 382.428 1.675 20 0 GDADMM CC1(C)C[C@H](NC(=O)c2ccoc2)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575642560 950945543 /nfs/dbraw/zinc/94/55/43/950945543.db2.gz VVRSTJGUXLLMRR-CYBMUJFWSA-N -1 1 382.428 1.675 20 0 GDADMM CC(C)(CC(=O)NC[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)C1CC1 ZINC001573898053 950971215 /nfs/dbraw/zinc/97/12/15/950971215.db2.gz VYPREVUYTRXYMK-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(CC(=O)NC[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)C1CC1 ZINC001573898053 950971226 /nfs/dbraw/zinc/97/12/26/950971226.db2.gz VYPREVUYTRXYMK-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(CC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C1CCCCC1 ZINC001573899542 950983936 /nfs/dbraw/zinc/98/39/36/950983936.db2.gz CVXMKVSMXXIAMP-UHFFFAOYSA-N -1 1 389.460 1.242 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573899717 950989320 /nfs/dbraw/zinc/98/93/20/950989320.db2.gz IYSDISWYNAPONI-DTORHVGOSA-N -1 1 384.366 1.694 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573899717 950989338 /nfs/dbraw/zinc/98/93/38/950989338.db2.gz IYSDISWYNAPONI-DTORHVGOSA-N -1 1 384.366 1.694 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573900198 950997133 /nfs/dbraw/zinc/99/71/33/950997133.db2.gz USEKHYVCMWJDHA-DTORHVGOSA-N -1 1 384.366 1.116 20 0 GDADMM CC(C)(CC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573900243 951001606 /nfs/dbraw/zinc/00/16/06/951001606.db2.gz WUYLIUICRIXWGY-DTORHVGOSA-N -1 1 384.366 1.116 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C2CC2)cn1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575021539 951064953 /nfs/dbraw/zinc/06/49/53/951064953.db2.gz CVIWLRHPSQCQMX-NSHDSACASA-N -1 1 379.428 1.407 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C2CC2)cn1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575021539 951064965 /nfs/dbraw/zinc/06/49/65/951064965.db2.gz CVIWLRHPSQCQMX-NSHDSACASA-N -1 1 379.428 1.407 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)c(F)c1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575023220 951073659 /nfs/dbraw/zinc/07/36/59/951073659.db2.gz KIJLPFIERUTKPH-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)c(F)c1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575023220 951073672 /nfs/dbraw/zinc/07/36/72/951073672.db2.gz KIJLPFIERUTKPH-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM C[C@H](CNC(=O)c1ccc(N(C)C)c(F)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575024746 951115366 /nfs/dbraw/zinc/11/53/66/951115366.db2.gz LUZOVDUCYOUYJR-SNVBAGLBSA-N -1 1 385.407 1.092 20 0 GDADMM C[C@H](CNC(=O)c1ccc(N(C)C)c(F)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575024746 951115371 /nfs/dbraw/zinc/11/53/71/951115371.db2.gz LUZOVDUCYOUYJR-SNVBAGLBSA-N -1 1 385.407 1.092 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCCC2)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575024797 951115418 /nfs/dbraw/zinc/11/54/18/951115418.db2.gz MVXTXZCQBDWOTR-CYBMUJFWSA-N -1 1 392.467 1.790 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCCC2)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575024797 951115421 /nfs/dbraw/zinc/11/54/21/951115421.db2.gz MVXTXZCQBDWOTR-CYBMUJFWSA-N -1 1 392.467 1.790 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)cc1Cl)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575025300 951127440 /nfs/dbraw/zinc/12/74/40/951127440.db2.gz XISHBSJFTXAUPR-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)cc1Cl)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575025300 951127452 /nfs/dbraw/zinc/12/74/52/951127452.db2.gz XISHBSJFTXAUPR-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCC2)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575025163 951127771 /nfs/dbraw/zinc/12/77/71/951127771.db2.gz WJPODCLIOBMUNZ-GFCCVEGCSA-N -1 1 378.440 1.623 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCC2)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575025163 951127779 /nfs/dbraw/zinc/12/77/79/951127779.db2.gz WJPODCLIOBMUNZ-GFCCVEGCSA-N -1 1 378.440 1.623 20 0 GDADMM C[C@H](CNC(=O)c1cccc2c1CCCC2)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575027705 951162754 /nfs/dbraw/zinc/16/27/54/951162754.db2.gz IGYSBUVWAKHVCI-ZDUSSCGKSA-N -1 1 392.467 1.435 20 0 GDADMM C[C@H](CNC(=O)c1cccc2c1CCC2)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575028256 951172979 /nfs/dbraw/zinc/17/29/79/951172979.db2.gz NBHGRBMRNRKQNE-LBPRGKRZSA-N -1 1 378.440 1.045 20 0 GDADMM C[C@H](CNC(=O)c1ccccn1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575031676 951202081 /nfs/dbraw/zinc/20/20/81/951202081.db2.gz GOXUUVAAJAQZOL-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@@H](CNC(=O)c1cccnc1C(F)F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575032214 951219454 /nfs/dbraw/zinc/21/94/54/951219454.db2.gz UEDPNXAOQVPLKC-QMMMGPOBSA-N -1 1 375.343 1.220 20 0 GDADMM C[C@@H](CNC(=O)c1cccnc1C(F)F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575032214 951219465 /nfs/dbraw/zinc/21/94/65/951219465.db2.gz UEDPNXAOQVPLKC-QMMMGPOBSA-N -1 1 375.343 1.220 20 0 GDADMM C[C@H](CNC(=O)c1ccnn1C1CCC1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575035635 951279068 /nfs/dbraw/zinc/27/90/68/951279068.db2.gz ZQXAGDXCQXOVBB-NSHDSACASA-N -1 1 382.432 1.056 20 0 GDADMM C[C@H](CNC(=O)c1ccnn1C1CCC1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575035635 951279086 /nfs/dbraw/zinc/27/90/86/951279086.db2.gz ZQXAGDXCQXOVBB-NSHDSACASA-N -1 1 382.432 1.056 20 0 GDADMM C[C@@H](CNC(=O)c1ccsc1Cl)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575038388 951319180 /nfs/dbraw/zinc/31/91/80/951319180.db2.gz IPDOUPWKXZPGOV-MRVPVSSYSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@@H](CNC(=O)c1ccsc1Cl)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575038388 951319187 /nfs/dbraw/zinc/31/91/87/951319187.db2.gz IPDOUPWKXZPGOV-MRVPVSSYSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@@H](CNC(=O)c1cncs1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575052515 951466848 /nfs/dbraw/zinc/46/68/48/951466848.db2.gz KSNVKFOQCFYQRY-LURJTMIESA-N -1 1 384.878 1.911 20 0 GDADMM C[C@H](CNC(=O)c1csc(Cl)c1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575057418 951528288 /nfs/dbraw/zinc/52/82/88/951528288.db2.gz PBJKJKBHOXKBFS-QMMMGPOBSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@H](CNC(=O)c1csc(Cl)c1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575057418 951528297 /nfs/dbraw/zinc/52/82/97/951528297.db2.gz PBJKJKBHOXKBFS-QMMMGPOBSA-N -1 1 378.849 1.850 20 0 GDADMM CC(C)c1nc(C(=O)NC[C@@H](C)CNc2ccc(-c3nnn[n-]3)nn2)cs1 ZINC001575057885 951533011 /nfs/dbraw/zinc/53/30/11/951533011.db2.gz SILJIFGTCMNPCN-JTQLQIEISA-N -1 1 387.473 1.715 20 0 GDADMM CC(C)c1nc(C(=O)NC[C@@H](C)CNc2ccc(-c3nn[n-]n3)nn2)cs1 ZINC001575057885 951533023 /nfs/dbraw/zinc/53/30/23/951533023.db2.gz SILJIFGTCMNPCN-JTQLQIEISA-N -1 1 387.473 1.715 20 0 GDADMM C[C@H](CNC(=O)c1cscc1Cl)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575060585 951542009 /nfs/dbraw/zinc/54/20/09/951542009.db2.gz AHDVCYAZNUICLU-QMMMGPOBSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@H](CNC(=O)c1cscc1Cl)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575060585 951542022 /nfs/dbraw/zinc/54/20/22/951542022.db2.gz AHDVCYAZNUICLU-QMMMGPOBSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@@H](CNC(=O)c1cscc1Cl)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575061893 951564711 /nfs/dbraw/zinc/56/47/11/951564711.db2.gz QKSKRLWDAJGNDU-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@@H](CNC(=O)c1cscc1Cl)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575061893 951564717 /nfs/dbraw/zinc/56/47/17/951564717.db2.gz QKSKRLWDAJGNDU-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@H](CNC(=O)c1csc(Cl)n1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575062422 951569653 /nfs/dbraw/zinc/56/96/53/951569653.db2.gz VWUPWYAPGCRSOX-SSDOTTSWSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@H](CNC(=O)c1csc(Cl)n1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575062422 951569659 /nfs/dbraw/zinc/56/96/59/951569659.db2.gz VWUPWYAPGCRSOX-SSDOTTSWSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@H](CNC(=O)c1noc2c1CCCC2)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575064918 951579522 /nfs/dbraw/zinc/57/95/22/951579522.db2.gz FIQFIHKLDBSKHK-JTQLQIEISA-N -1 1 383.416 1.002 20 0 GDADMM C[C@H](CNC(=O)c1noc2c1CCCC2)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575064918 951579524 /nfs/dbraw/zinc/57/95/24/951579524.db2.gz FIQFIHKLDBSKHK-JTQLQIEISA-N -1 1 383.416 1.002 20 0 GDADMM C[C@@H](CNC(=O)c1ocnc1C(F)F)CNc1nccnc1-c1nnn[n-]1 ZINC001575067398 951611269 /nfs/dbraw/zinc/61/12/69/951611269.db2.gz RZGDGJCRODUSDS-SSDOTTSWSA-N -1 1 379.331 1.060 20 0 GDADMM C[C@@H](CNC(=O)c1ocnc1C(F)F)CNc1nccnc1-c1nn[n-]n1 ZINC001575067398 951611275 /nfs/dbraw/zinc/61/12/75/951611275.db2.gz RZGDGJCRODUSDS-SSDOTTSWSA-N -1 1 379.331 1.060 20 0 GDADMM C[C@@H](CNC(=O)c1ncccc1F)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575068318 951634879 /nfs/dbraw/zinc/63/48/79/951634879.db2.gz ZVGHDYMNGCSWRC-LURJTMIESA-N -1 1 382.812 1.741 20 0 GDADMM C[C@@H](CNC(=O)c1ncccc1F)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575068318 951634883 /nfs/dbraw/zinc/63/48/83/951634883.db2.gz ZVGHDYMNGCSWRC-LURJTMIESA-N -1 1 382.812 1.741 20 0 GDADMM C[C@H](CNC(=O)c1scnc1C1CC1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575068616 951636635 /nfs/dbraw/zinc/63/66/35/951636635.db2.gz CHMNJCWUHPLFGA-SECBINFHSA-N -1 1 385.457 1.245 20 0 GDADMM C[C@H](CNC(=O)c1sccc1Cl)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575070507 951652110 /nfs/dbraw/zinc/65/21/10/951652110.db2.gz QUUYWANFXIRKMU-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@H](CNC(=O)c1sccc1Cl)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575070507 951652112 /nfs/dbraw/zinc/65/21/12/951652112.db2.gz QUUYWANFXIRKMU-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@@H](CNC(=O)c1sccc1C1CC1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575071339 951658707 /nfs/dbraw/zinc/65/87/07/951658707.db2.gz ZXYLYQPETZOLPY-JTQLQIEISA-N -1 1 384.469 1.850 20 0 GDADMM O=C([O-])COCC(=O)Nc1nc2ccc(I)cc2[nH]1 ZINC001595110403 951902686 /nfs/dbraw/zinc/90/26/86/951902686.db2.gz BHEXMWIKAJFDEA-UHFFFAOYSA-N -1 1 375.122 1.207 20 0 GDADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)[C@H]1CCC(F)(F)C1)C1CC1 ZINC001575127938 952061110 /nfs/dbraw/zinc/06/11/10/952061110.db2.gz DNDQLHWNCJVBQZ-QFYYESIMSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)[C@H]1CCC(F)(F)C1)C1CC1 ZINC001575127938 952061121 /nfs/dbraw/zinc/06/11/21/952061121.db2.gz DNDQLHWNCJVBQZ-QFYYESIMSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1csc(C2CC2)n1 ZINC001575133496 952104006 /nfs/dbraw/zinc/10/40/06/952104006.db2.gz FJGDGPNIVNJNHC-SECBINFHSA-N -1 1 385.457 1.563 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1csc(C2CC2)n1 ZINC001575133496 952104010 /nfs/dbraw/zinc/10/40/10/952104010.db2.gz FJGDGPNIVNJNHC-SECBINFHSA-N -1 1 385.457 1.563 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001575134151 952109740 /nfs/dbraw/zinc/10/97/40/952109740.db2.gz MMNYYVUSPXTOQK-ZQGRQUNCSA-N -1 1 392.467 1.893 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001575134151 952109744 /nfs/dbraw/zinc/10/97/44/952109744.db2.gz MMNYYVUSPXTOQK-ZQGRQUNCSA-N -1 1 392.467 1.893 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)Cc1c(F)cccc1F ZINC001575134259 952109766 /nfs/dbraw/zinc/10/97/66/952109766.db2.gz NGEAQCQSSXZQEL-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)Cc1c(F)cccc1F ZINC001575134259 952109772 /nfs/dbraw/zinc/10/97/72/952109772.db2.gz NGEAQCQSSXZQEL-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)[C@H]1CCCC12CC2)C1CC1 ZINC001575134517 952113032 /nfs/dbraw/zinc/11/30/32/952113032.db2.gz IUFITPIFRPEFOZ-ACJLOTCBSA-N -1 1 382.472 1.356 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@H](F)Cc1ccccc1 ZINC001575135822 952121107 /nfs/dbraw/zinc/12/11/07/952121107.db2.gz SDJJMOUTDXUBLO-GXTWGEPZSA-N -1 1 384.419 1.496 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@H](F)Cc1ccccc1 ZINC001575135822 952121109 /nfs/dbraw/zinc/12/11/09/952121109.db2.gz SDJJMOUTDXUBLO-GXTWGEPZSA-N -1 1 384.419 1.496 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ccc(C(F)F)nc1 ZINC001575136332 952124836 /nfs/dbraw/zinc/12/48/36/952124836.db2.gz UWFLMICQHRUBPF-VIFPVBQESA-N -1 1 389.370 1.562 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ccc(C(F)F)nc1 ZINC001575136332 952124837 /nfs/dbraw/zinc/12/48/37/952124837.db2.gz UWFLMICQHRUBPF-VIFPVBQESA-N -1 1 389.370 1.562 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cccnc1C1CC1 ZINC001575136452 952125433 /nfs/dbraw/zinc/12/54/33/952125433.db2.gz PFTVSCNNTAEEAI-LLVKDONJSA-N -1 1 379.428 1.502 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cccnc1C1CC1 ZINC001575136452 952125441 /nfs/dbraw/zinc/12/54/41/952125441.db2.gz PFTVSCNNTAEEAI-LLVKDONJSA-N -1 1 379.428 1.502 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cc(Cl)cs1 ZINC001575136748 952128028 /nfs/dbraw/zinc/12/80/28/952128028.db2.gz WFSCXQDOOLJIEH-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cc(Cl)cs1 ZINC001575136748 952128031 /nfs/dbraw/zinc/12/80/31/952128031.db2.gz WFSCXQDOOLJIEH-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(Cl)cs1 ZINC001575143613 952154790 /nfs/dbraw/zinc/15/47/90/952154790.db2.gz BMLLTOLRMWBHMD-QMMMGPOBSA-N -1 1 378.849 1.366 20 0 GDADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)c1cccc(F)c1)C1CC1 ZINC001575143941 952159630 /nfs/dbraw/zinc/15/96/30/952159630.db2.gz SMRYLFPTUVXQEO-SFHVURJKSA-N -1 1 382.403 1.228 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H](c1ccccc1)C1CC1 ZINC001575144374 952165980 /nfs/dbraw/zinc/16/59/80/952165980.db2.gz VBZZQPCVBTUTQV-DYVFJYSZSA-N -1 1 392.467 1.531 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C1(c2ccccc2)CC1 ZINC001575144478 952167678 /nfs/dbraw/zinc/16/76/78/952167678.db2.gz VWZZQZMFXSARJI-CYBMUJFWSA-N -1 1 378.440 1.069 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc2c(c1)CCC2 ZINC001575145007 952175707 /nfs/dbraw/zinc/17/57/07/952175707.db2.gz OBFLPYJQWRJKTM-GFCCVEGCSA-N -1 1 378.440 1.140 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cscc1Cl ZINC001575145196 952179375 /nfs/dbraw/zinc/17/93/75/952179375.db2.gz SCPAXGKTGWJYKN-QMMMGPOBSA-N -1 1 378.849 1.366 20 0 GDADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)[C@@H]1CCC(F)(F)C1)C1CC1 ZINC001575146216 952192474 /nfs/dbraw/zinc/19/24/74/952192474.db2.gz IENJWZMRSJLFES-HWPZZCPQSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)[C@@H]1CCC(F)(F)C1)C1CC1 ZINC001575146216 952192477 /nfs/dbraw/zinc/19/24/77/952192477.db2.gz IENJWZMRSJLFES-HWPZZCPQSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)[C@@H]1CCCC12CC2)C1CC1 ZINC001575147473 952200872 /nfs/dbraw/zinc/20/08/72/952200872.db2.gz UVVMAGLTIOFZKB-UGSOOPFHSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)[C@@H]1CCCC12CC2)C1CC1 ZINC001575147473 952200877 /nfs/dbraw/zinc/20/08/77/952200877.db2.gz UVVMAGLTIOFZKB-UGSOOPFHSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)c1ccncc1F)C1CC1 ZINC001575153742 952213256 /nfs/dbraw/zinc/21/32/56/952213256.db2.gz KHVNYLJWASKQNY-QGZVFWFLSA-N -1 1 383.391 1.201 20 0 GDADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)c1ccncc1F)C1CC1 ZINC001575153742 952213261 /nfs/dbraw/zinc/21/32/61/952213261.db2.gz KHVNYLJWASKQNY-QGZVFWFLSA-N -1 1 383.391 1.201 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cscc1Cl ZINC001575154473 952224188 /nfs/dbraw/zinc/22/41/88/952224188.db2.gz DXBBGRMLXFOWNG-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cscc1Cl ZINC001575154473 952224197 /nfs/dbraw/zinc/22/41/97/952224197.db2.gz DXBBGRMLXFOWNG-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1c2ccccc2nn1C ZINC001575154440 952224493 /nfs/dbraw/zinc/22/44/93/952224493.db2.gz DGIBVCLTKPZHHQ-NSHDSACASA-N -1 1 392.427 1.116 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1c2ccccc2nn1C ZINC001575154440 952224499 /nfs/dbraw/zinc/22/44/99/952224499.db2.gz DGIBVCLTKPZHHQ-NSHDSACASA-N -1 1 392.427 1.116 20 0 GDADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)[C@H]1C[C@@H]1C(F)F)C1CC1 ZINC001575154691 952230258 /nfs/dbraw/zinc/23/02/58/952230258.db2.gz URGPYXODUUKZSX-PUTJDCORSA-N -1 1 378.387 1.255 20 0 GDADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)[C@H]1C[C@@H]1C(F)F)C1CC1 ZINC001575154691 952230266 /nfs/dbraw/zinc/23/02/66/952230266.db2.gz URGPYXODUUKZSX-PUTJDCORSA-N -1 1 378.387 1.255 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)CCCc1cccnc1 ZINC001575154838 952232175 /nfs/dbraw/zinc/23/21/75/952232175.db2.gz VYPDCIVXHYAUQO-CYBMUJFWSA-N -1 1 381.444 1.333 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)CCCc1cccnc1 ZINC001575154838 952232181 /nfs/dbraw/zinc/23/21/81/952232181.db2.gz VYPDCIVXHYAUQO-CYBMUJFWSA-N -1 1 381.444 1.333 20 0 GDADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)CCc1ccco1)C1CC1 ZINC001575155311 952236351 /nfs/dbraw/zinc/23/63/51/952236351.db2.gz KWHQAQZZKBKVHR-GOSISDBHSA-N -1 1 382.428 1.579 20 0 GDADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)CCc1ccco1)C1CC1 ZINC001575155311 952236359 /nfs/dbraw/zinc/23/63/59/952236359.db2.gz KWHQAQZZKBKVHR-GOSISDBHSA-N -1 1 382.428 1.579 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)C(C)(C)c1ccccc1 ZINC001575155565 952241897 /nfs/dbraw/zinc/24/18/97/952241897.db2.gz NLUMARZIALDNBG-CYBMUJFWSA-N -1 1 380.456 1.893 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)C(C)(C)c1ccccc1 ZINC001575155565 952241902 /nfs/dbraw/zinc/24/19/02/952241902.db2.gz NLUMARZIALDNBG-CYBMUJFWSA-N -1 1 380.456 1.893 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001575155571 952242505 /nfs/dbraw/zinc/24/25/05/952242505.db2.gz NNFIXAFMTRMKAU-JTQLQIEISA-N -1 1 384.448 1.250 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)Cc1ccc(Cl)s1 ZINC001575156105 952248507 /nfs/dbraw/zinc/24/85/07/952248507.db2.gz CIAZDQHQVUVMKC-SECBINFHSA-N -1 1 392.876 1.873 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)Cc1ccc(Cl)s1 ZINC001575156105 952248514 /nfs/dbraw/zinc/24/85/14/952248514.db2.gz CIAZDQHQVUVMKC-SECBINFHSA-N -1 1 392.876 1.873 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ccn(C(C)(C)C)n1 ZINC001575156291 952250466 /nfs/dbraw/zinc/25/04/66/952250466.db2.gz SHQHNKNKOOKNFS-LLVKDONJSA-N -1 1 384.448 1.181 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ccn(C(C)(C)C)n1 ZINC001575156291 952250472 /nfs/dbraw/zinc/25/04/72/952250472.db2.gz SHQHNKNKOOKNFS-LLVKDONJSA-N -1 1 384.448 1.181 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CCCc1ccccc1 ZINC001575157373 952265290 /nfs/dbraw/zinc/26/52/90/952265290.db2.gz LXBQYKHBYQZROT-CQSZACIVSA-N -1 1 380.456 1.938 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CCCc1ccccc1 ZINC001575157373 952265298 /nfs/dbraw/zinc/26/52/98/952265298.db2.gz LXBQYKHBYQZROT-CQSZACIVSA-N -1 1 380.456 1.938 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1c(F)cc(F)cc1F ZINC001575159012 952274310 /nfs/dbraw/zinc/27/43/10/952274310.db2.gz YBJXXOYXFZZUNU-QMMMGPOBSA-N -1 1 392.345 1.647 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1c(F)cc(F)cc1F ZINC001575159012 952274319 /nfs/dbraw/zinc/27/43/19/952274319.db2.gz YBJXXOYXFZZUNU-QMMMGPOBSA-N -1 1 392.345 1.647 20 0 GDADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)c1n[nH]cc1F ZINC001575165307 952306819 /nfs/dbraw/zinc/30/68/19/952306819.db2.gz NHOMAAOFNXGPDA-YFKPBYRVSA-N -1 1 385.816 1.411 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCc2ccccc2C1 ZINC001575174104 952364552 /nfs/dbraw/zinc/36/45/52/952364552.db2.gz HCOIVRRDBLQDEP-CZUORRHYSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCc2ccccc2C1 ZINC001575174104 952364561 /nfs/dbraw/zinc/36/45/61/952364561.db2.gz HCOIVRRDBLQDEP-CZUORRHYSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)CCc1ccccc1)C1CC1 ZINC001575174875 952379982 /nfs/dbraw/zinc/37/99/82/952379982.db2.gz SUXFUINCJXFKST-FQEVSTJZSA-N -1 1 392.467 1.986 20 0 GDADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)CCc1ccccc1)C1CC1 ZINC001575174875 952379987 /nfs/dbraw/zinc/37/99/87/952379987.db2.gz SUXFUINCJXFKST-FQEVSTJZSA-N -1 1 392.467 1.986 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@H]1COc2ccccc21 ZINC001575174945 952381530 /nfs/dbraw/zinc/38/15/30/952381530.db2.gz UQKXBFOMNZJIAO-AAEUAGOBSA-N -1 1 380.412 1.092 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@H]1COc2ccccc21 ZINC001575174945 952381540 /nfs/dbraw/zinc/38/15/40/952381540.db2.gz UQKXBFOMNZJIAO-AAEUAGOBSA-N -1 1 380.412 1.092 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)C[C@@H]1CCCO1 ZINC001575178169 952405359 /nfs/dbraw/zinc/40/53/59/952405359.db2.gz LBMCVDQEJMUHBP-BDAKNGLRSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)C[C@@H]1CCCO1 ZINC001575178169 952405361 /nfs/dbraw/zinc/40/53/61/952405361.db2.gz LBMCVDQEJMUHBP-BDAKNGLRSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)Cc1ccc(F)c(F)c1 ZINC001575178768 952408110 /nfs/dbraw/zinc/40/81/10/952408110.db2.gz MSSXFWKLTMUCCC-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)Cc1ccc(F)c(F)c1 ZINC001575178768 952408113 /nfs/dbraw/zinc/40/81/13/952408113.db2.gz MSSXFWKLTMUCCC-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)[C@]12C[C@H]1COC2 ZINC001575178872 952408873 /nfs/dbraw/zinc/40/88/73/952408873.db2.gz OKTCNOFGLRYTAH-KXEKKFMESA-N -1 1 383.865 1.272 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)[C@]12C[C@H]1COC2 ZINC001575178872 952408879 /nfs/dbraw/zinc/40/88/79/952408879.db2.gz OKTCNOFGLRYTAH-KXEKKFMESA-N -1 1 383.865 1.272 20 0 GDADMM C[C@@H](COc1ccc(F)cc1)NC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001575179119 952410653 /nfs/dbraw/zinc/41/06/53/952410653.db2.gz SUNCSROYMFRKSN-VIFPVBQESA-N -1 1 377.405 1.729 20 0 GDADMM C[C@@H](COc1ccc(F)cc1)NC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001575179119 952410656 /nfs/dbraw/zinc/41/06/56/952410656.db2.gz SUNCSROYMFRKSN-VIFPVBQESA-N -1 1 377.405 1.729 20 0 GDADMM C[C@@H](COc1ccc(F)cc1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001575180238 952416464 /nfs/dbraw/zinc/41/64/64/952416464.db2.gz YUKXLFIPIPIKMY-JTQLQIEISA-N -1 1 378.389 1.147 20 0 GDADMM C[C@@H](COc1ccc(F)cc1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001575180238 952416468 /nfs/dbraw/zinc/41/64/68/952416468.db2.gz YUKXLFIPIPIKMY-JTQLQIEISA-N -1 1 378.389 1.147 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N(C)C1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575189788 952458577 /nfs/dbraw/zinc/45/85/77/952458577.db2.gz QKUOMHRBRVNQJL-HIFPTAJRSA-N -1 1 382.428 1.530 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N(C)C1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575189788 952458582 /nfs/dbraw/zinc/45/85/82/952458582.db2.gz QKUOMHRBRVNQJL-HIFPTAJRSA-N -1 1 382.428 1.530 20 0 GDADMM CC(C)[C@@H](CNC(=O)[C@@H](C)Cc1ccco1)Nc1nccnc1-c1nnn[n-]1 ZINC001575195505 952471923 /nfs/dbraw/zinc/47/19/23/952471923.db2.gz BLPBSFPYIFIGFK-GXTWGEPZSA-N -1 1 384.444 1.681 20 0 GDADMM CC(C)[C@@H](CNC(=O)[C@@H](C)Cc1ccco1)Nc1nccnc1-c1nn[n-]n1 ZINC001575195505 952471925 /nfs/dbraw/zinc/47/19/25/952471925.db2.gz BLPBSFPYIFIGFK-GXTWGEPZSA-N -1 1 384.444 1.681 20 0 GDADMM CO[C@@H](C)c1nc(CNC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)cs1 ZINC001571117366 952481668 /nfs/dbraw/zinc/48/16/68/952481668.db2.gz KFYAJOAGJPCOPU-QMMMGPOBSA-N -1 1 375.414 1.370 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575197371 952483543 /nfs/dbraw/zinc/48/35/43/952483543.db2.gz VBCVCNGXMAFTSL-AVGNSLFASA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575197371 952483546 /nfs/dbraw/zinc/48/35/46/952483546.db2.gz VBCVCNGXMAFTSL-AVGNSLFASA-N -1 1 382.428 1.435 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575197788 952487543 /nfs/dbraw/zinc/48/75/43/952487543.db2.gz ZSZICRCIXUSFAR-OLZOCXBDSA-N -1 1 382.428 1.214 20 0 GDADMM O=C(N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccc(C2CC2)cc1 ZINC001571119904 952496758 /nfs/dbraw/zinc/49/67/58/952496758.db2.gz HHCDMFBXIHMVMU-OAHLLOKOSA-N -1 1 376.424 1.543 20 0 GDADMM O=C(N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccc(C2CC2)cc1 ZINC001571119904 952496763 /nfs/dbraw/zinc/49/67/63/952496763.db2.gz HHCDMFBXIHMVMU-OAHLLOKOSA-N -1 1 376.424 1.543 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)Nc1c(-c2nn[n-]n2)nnn1Cc1ccccc1 ZINC001575201239 952502414 /nfs/dbraw/zinc/50/24/14/952502414.db2.gz HQEQXMVMXBJCRN-GFCCVEGCSA-N -1 1 378.396 1.917 20 0 GDADMM O=C(NCC1CC(Nc2nccnc2-c2nnn[n-]2)C1)[C@@H]1Cc2ccccc21 ZINC001571120863 952509694 /nfs/dbraw/zinc/50/96/94/952509694.db2.gz RUIMCOKDPUDBNC-ABIUDSBCSA-N -1 1 376.424 1.303 20 0 GDADMM O=C(NCC1CC(Nc2nccnc2-c2nn[n-]n2)C1)[C@@H]1Cc2ccccc21 ZINC001571120863 952509700 /nfs/dbraw/zinc/50/97/00/952509700.db2.gz RUIMCOKDPUDBNC-ABIUDSBCSA-N -1 1 376.424 1.303 20 0 GDADMM COc1cncc(C(=O)Nc2ccc(Br)c(-c3nnn[n-]3)n2)n1 ZINC001571122728 952525389 /nfs/dbraw/zinc/52/53/89/952525389.db2.gz JMAGWEAIIWXWEL-UHFFFAOYSA-N -1 1 377.162 1.075 20 0 GDADMM COc1cncc(C(=O)Nc2ccc(Br)c(-c3nn[n-]n3)n2)n1 ZINC001571122728 952525391 /nfs/dbraw/zinc/52/53/91/952525391.db2.gz JMAGWEAIIWXWEL-UHFFFAOYSA-N -1 1 377.162 1.075 20 0 GDADMM O=C(c1cccc2c1CCC2)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571123122 952529557 /nfs/dbraw/zinc/52/95/57/952529557.db2.gz PTPBCZPSAYRADP-UHFFFAOYSA-N -1 1 376.424 1.108 20 0 GDADMM O=C(c1cccc2c1CCC2)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571123122 952529562 /nfs/dbraw/zinc/52/95/62/952529562.db2.gz PTPBCZPSAYRADP-UHFFFAOYSA-N -1 1 376.424 1.108 20 0 GDADMM C[C@H]1Cc2cc(S(=O)(=O)NCc3ccc(-c4nn[n-]n4)s3)ccc2O1 ZINC001571127088 952550527 /nfs/dbraw/zinc/55/05/27/952550527.db2.gz FSKCMHDVOFAYHJ-VIFPVBQESA-N -1 1 377.451 1.730 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575214915 952567084 /nfs/dbraw/zinc/56/70/84/952567084.db2.gz PJPZUCDZERECLI-JTQLQIEISA-N -1 1 380.403 1.423 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575214915 952567093 /nfs/dbraw/zinc/56/70/93/952567093.db2.gz PJPZUCDZERECLI-JTQLQIEISA-N -1 1 380.403 1.423 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1 ZINC001575215560 952569283 /nfs/dbraw/zinc/56/92/83/952569283.db2.gz VRRNQINRRAPQLF-UWVGGRQHSA-N -1 1 378.387 1.128 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1 ZINC001575215560 952569288 /nfs/dbraw/zinc/56/92/88/952569288.db2.gz VRRNQINRRAPQLF-UWVGGRQHSA-N -1 1 378.387 1.128 20 0 GDADMM Cc1nsc(N[C@H]2CCCN(C(=O)C[C@@H]3CCOC3)C2)c1-c1nn[n-]n1 ZINC001571128793 952571141 /nfs/dbraw/zinc/57/11/41/952571141.db2.gz XOYLDUCAICYEEY-RYUDHWBXSA-N -1 1 377.474 1.461 20 0 GDADMM CC1(NC(=O)[C@@H]2CCC2(F)F)CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571130000 952577727 /nfs/dbraw/zinc/57/77/27/952577727.db2.gz MOUVLNDYYYPDLF-JTQLQIEISA-N -1 1 378.387 1.177 20 0 GDADMM CC1(NC(=O)[C@@H]2CCC2(F)F)CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571130000 952577730 /nfs/dbraw/zinc/57/77/30/952577730.db2.gz MOUVLNDYYYPDLF-JTQLQIEISA-N -1 1 378.387 1.177 20 0 GDADMM CC1(C)CN(c2ccc(-c3nnn[n-]3)nn2)CC[C@@H]1NC(=O)[C@H]1CC1(F)F ZINC001571130170 952578837 /nfs/dbraw/zinc/57/88/37/952578837.db2.gz PCNVFWXMHQBKLG-KOLCDFICSA-N -1 1 378.387 1.033 20 0 GDADMM CC1(C)CN(c2ccc(-c3nn[n-]n3)nn2)CC[C@@H]1NC(=O)[C@H]1CC1(F)F ZINC001571130170 952578843 /nfs/dbraw/zinc/57/88/43/952578843.db2.gz PCNVFWXMHQBKLG-KOLCDFICSA-N -1 1 378.387 1.033 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)[C@@H](C)C2)cc1 ZINC001571134048 952585330 /nfs/dbraw/zinc/58/53/30/952585330.db2.gz COQMVEJNOGZENT-DZGCQCFKSA-N -1 1 378.440 1.752 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)[C@@H](C)C2)cc1 ZINC001571134048 952585332 /nfs/dbraw/zinc/58/53/32/952585332.db2.gz COQMVEJNOGZENT-DZGCQCFKSA-N -1 1 378.440 1.752 20 0 GDADMM Cc1ccc(CC(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)cc1C ZINC001571134124 952585831 /nfs/dbraw/zinc/58/58/31/952585831.db2.gz DYFRDRGBNWXXHE-GASCZTMLSA-N -1 1 378.440 1.575 20 0 GDADMM Cc1ccc(CC(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)cc1C ZINC001571134124 952585835 /nfs/dbraw/zinc/58/58/35/952585835.db2.gz DYFRDRGBNWXXHE-GASCZTMLSA-N -1 1 378.440 1.575 20 0 GDADMM CCN(C(=O)c1cccc(C)c1)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571134437 952590563 /nfs/dbraw/zinc/59/05/63/952590563.db2.gz GGRKLVLXTGOEFO-OAHLLOKOSA-N -1 1 378.440 1.706 20 0 GDADMM CCN(C(=O)c1cccc(C)c1)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571134437 952590567 /nfs/dbraw/zinc/59/05/67/952590567.db2.gz GGRKLVLXTGOEFO-OAHLLOKOSA-N -1 1 378.440 1.706 20 0 GDADMM CCc1ccc(C(=O)N2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C[C@@H]2C)cc1 ZINC001571134562 952592084 /nfs/dbraw/zinc/59/20/84/952592084.db2.gz GUZYXTVACBEYHO-WFASDCNBSA-N -1 1 378.440 1.934 20 0 GDADMM CCc1ccc(C(=O)N2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C[C@@H]2C)cc1 ZINC001571134562 952592089 /nfs/dbraw/zinc/59/20/89/952592089.db2.gz GUZYXTVACBEYHO-WFASDCNBSA-N -1 1 378.440 1.934 20 0 GDADMM Cc1ccc(C)c(CC(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571134990 952598356 /nfs/dbraw/zinc/59/83/56/952598356.db2.gz PODLITXWUXRJRL-OAHLLOKOSA-N -1 1 378.440 1.529 20 0 GDADMM Cc1ccc(C)c(CC(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571134990 952598358 /nfs/dbraw/zinc/59/83/58/952598358.db2.gz PODLITXWUXRJRL-OAHLLOKOSA-N -1 1 378.440 1.529 20 0 GDADMM C[C@@H]1Oc2ccccc2N(CCC(=O)Nc2cccc(-c3nnn[n-]3)n2)C1=O ZINC001571140830 952629797 /nfs/dbraw/zinc/62/97/97/952629797.db2.gz UMAVEZFDEMRMDR-NSHDSACASA-N -1 1 379.380 1.404 20 0 GDADMM C[C@@H]1Oc2ccccc2N(CCC(=O)Nc2cccc(-c3nn[n-]n3)n2)C1=O ZINC001571140830 952629798 /nfs/dbraw/zinc/62/97/98/952629798.db2.gz UMAVEZFDEMRMDR-NSHDSACASA-N -1 1 379.380 1.404 20 0 GDADMM CC(C)(C)OC(=O)NCCCOC1CCN([C@H]2CCN(CC(=O)[O-])C2=O)CC1 ZINC001602905667 971848712 /nfs/dbraw/zinc/84/87/12/971848712.db2.gz XFAMOMBEXHLPDB-HNNXBMFYSA-N -1 1 399.488 1.068 20 0 GDADMM O=C(CCc1ccccn1)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571146667 952651660 /nfs/dbraw/zinc/65/16/60/952651660.db2.gz LFLXKVZMUSTMBY-AWEZNQCLSA-N -1 1 379.428 1.087 20 0 GDADMM O=C(CCc1ccccn1)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571146667 952651663 /nfs/dbraw/zinc/65/16/63/952651663.db2.gz LFLXKVZMUSTMBY-AWEZNQCLSA-N -1 1 379.428 1.087 20 0 GDADMM O=C(CCc1cccnc1)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571146849 952653704 /nfs/dbraw/zinc/65/37/04/952653704.db2.gz NVWDPTOLRQYKAG-CQSZACIVSA-N -1 1 379.428 1.087 20 0 GDADMM O=C(CCc1cccnc1)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571146849 952653713 /nfs/dbraw/zinc/65/37/13/952653713.db2.gz NVWDPTOLRQYKAG-CQSZACIVSA-N -1 1 379.428 1.087 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cccnc1 ZINC001571146936 952654475 /nfs/dbraw/zinc/65/44/75/952654475.db2.gz DFVLQKPXXDWHPS-GXTWGEPZSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cccnc1 ZINC001571146936 952654478 /nfs/dbraw/zinc/65/44/78/952654478.db2.gz DFVLQKPXXDWHPS-GXTWGEPZSA-N -1 1 379.428 1.258 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cccnc1 ZINC001571147152 952657741 /nfs/dbraw/zinc/65/77/41/952657741.db2.gz HONXLOYPXIPFGS-ZDUSSCGKSA-N -1 1 379.428 1.042 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cccnc1 ZINC001571147152 952657745 /nfs/dbraw/zinc/65/77/45/952657745.db2.gz HONXLOYPXIPFGS-ZDUSSCGKSA-N -1 1 379.428 1.042 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571147336 952660078 /nfs/dbraw/zinc/66/00/78/952660078.db2.gz KCHBFOLFIDBELX-GFCCVEGCSA-N -1 1 379.428 1.184 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571147336 952660081 /nfs/dbraw/zinc/66/00/81/952660081.db2.gz KCHBFOLFIDBELX-GFCCVEGCSA-N -1 1 379.428 1.184 20 0 GDADMM CCc1cccnc1C(=O)N1C[C@@H](C)[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571148062 952665385 /nfs/dbraw/zinc/66/53/85/952665385.db2.gz UEJVPGHVEQAHKN-RISCZKNCSA-N -1 1 379.428 1.187 20 0 GDADMM CCc1cccnc1C(=O)N1C[C@@H](C)[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571148062 952665388 /nfs/dbraw/zinc/66/53/88/952665388.db2.gz UEJVPGHVEQAHKN-RISCZKNCSA-N -1 1 379.428 1.187 20 0 GDADMM C[C@@H](NC(=O)c1ccncc1)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571148263 952666239 /nfs/dbraw/zinc/66/62/39/952666239.db2.gz XEUFZNVUVJWJNJ-GFCCVEGCSA-N -1 1 379.428 1.087 20 0 GDADMM C[C@@H](NC(=O)c1ccncc1)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571148263 952666241 /nfs/dbraw/zinc/66/62/41/952666241.db2.gz XEUFZNVUVJWJNJ-GFCCVEGCSA-N -1 1 379.428 1.087 20 0 GDADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCCCN1C(=O)c1ccccn1 ZINC001571148431 952667420 /nfs/dbraw/zinc/66/74/20/952667420.db2.gz ZMCGSCCERMWLJX-DOMZBBRYSA-N -1 1 379.428 1.547 20 0 GDADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCCCN1C(=O)c1ccccn1 ZINC001571148431 952667426 /nfs/dbraw/zinc/66/74/26/952667426.db2.gz ZMCGSCCERMWLJX-DOMZBBRYSA-N -1 1 379.428 1.547 20 0 GDADMM C[C@H]1C[C@@H](C(=O)Nc2c(-c3nn[n-]n3)nnn2Cc2ccccc2)CCC1=O ZINC001571154842 952690382 /nfs/dbraw/zinc/69/03/82/952690382.db2.gz CHWHCDWAEHPRLC-AAEUAGOBSA-N -1 1 380.412 1.450 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)c1ccco1 ZINC001571155260 952694439 /nfs/dbraw/zinc/69/44/39/952694439.db2.gz MBNNKOAOWCFNSU-RWMBFGLXSA-N -1 1 380.412 1.233 20 0 GDADMM Cc1ccncc1C(=O)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571156776 952704785 /nfs/dbraw/zinc/70/47/85/952704785.db2.gz JKGCGGFYEGLLIV-ZDUSSCGKSA-N -1 1 379.428 1.467 20 0 GDADMM Cc1ccncc1C(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571156776 952704787 /nfs/dbraw/zinc/70/47/87/952704787.db2.gz JKGCGGFYEGLLIV-ZDUSSCGKSA-N -1 1 379.428 1.467 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)[C@@H](C)C2)ccn1 ZINC001571156823 952705740 /nfs/dbraw/zinc/70/57/40/952705740.db2.gz KRSORTYIWUTWMG-JSGCOSHPSA-N -1 1 379.428 1.147 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)[C@@H]2C)n1 ZINC001571157222 952706737 /nfs/dbraw/zinc/70/67/37/952706737.db2.gz NMWMNTRPZDZTRV-QWHCGFSZSA-N -1 1 379.428 1.384 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)[C@@H]2C)n1 ZINC001571157222 952706738 /nfs/dbraw/zinc/70/67/38/952706738.db2.gz NMWMNTRPZDZTRV-QWHCGFSZSA-N -1 1 379.428 1.384 20 0 GDADMM COc1cccc(C(=O)NC2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)c1 ZINC001571158523 952712843 /nfs/dbraw/zinc/71/28/43/952712843.db2.gz KKWGFYADBBXGRY-UHFFFAOYSA-N -1 1 380.412 1.064 20 0 GDADMM COc1cccc(C(=O)NC2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)c1 ZINC001571158523 952712846 /nfs/dbraw/zinc/71/28/46/952712846.db2.gz KKWGFYADBBXGRY-UHFFFAOYSA-N -1 1 380.412 1.064 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CCC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)ccn1 ZINC001571159756 952722282 /nfs/dbraw/zinc/72/22/82/952722282.db2.gz WHBGNUKROREPNA-UONOGXRCSA-N -1 1 379.428 1.513 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CCC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)ccn1 ZINC001571159756 952722285 /nfs/dbraw/zinc/72/22/85/952722285.db2.gz WHBGNUKROREPNA-UONOGXRCSA-N -1 1 379.428 1.513 20 0 GDADMM Cc1[nH]nc(NC(=O)[C@H]2CCCCN2C(=O)c2ccccc2)c1-c1nn[n-]n1 ZINC001571161404 952732089 /nfs/dbraw/zinc/73/20/89/952732089.db2.gz UVVFQVFRHQAHLW-CYBMUJFWSA-N -1 1 380.412 1.532 20 0 GDADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)[C@@H]1OCCO[C@@H]1c1ccccc1 ZINC001571171131 952791433 /nfs/dbraw/zinc/79/14/33/952791433.db2.gz PSVMTZGVSKKIBT-HUUCEWRRSA-N -1 1 381.396 1.562 20 0 GDADMM O=C(NC1CC2(C1)CC(Nc1ccnc(-c3nn[n-]n3)n1)C2)[C@]12C[C@H]1CCC2 ZINC001571171574 952794653 /nfs/dbraw/zinc/79/46/53/952794653.db2.gz COHFUZVIMHMGPX-IITCCIDZSA-N -1 1 380.456 1.108 20 0 GDADMM O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571172027 952800469 /nfs/dbraw/zinc/80/04/69/952800469.db2.gz KQZLQZXSKLUBQH-SEBNEYGDSA-N -1 1 380.456 1.273 20 0 GDADMM O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571172027 952800473 /nfs/dbraw/zinc/80/04/73/952800473.db2.gz KQZLQZXSKLUBQH-SEBNEYGDSA-N -1 1 380.456 1.273 20 0 GDADMM Cc1conc1C(=O)N[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571172835 952810135 /nfs/dbraw/zinc/81/01/35/952810135.db2.gz YTJHQXACZQXLGE-SSDOTTSWSA-N -1 1 380.821 1.282 20 0 GDADMM Cc1ncoc1C(=O)NC1CC2(C1)CC(Nc1nccnc1-c1nnn[n-]1)C2 ZINC001571176692 952834262 /nfs/dbraw/zinc/83/42/62/952834262.db2.gz XELGVYBIRIEFKD-UHFFFAOYSA-N -1 1 381.400 1.106 20 0 GDADMM Cc1ncoc1C(=O)NC1CC2(C1)CC(Nc1nccnc1-c1nn[n-]n1)C2 ZINC001571176692 952834265 /nfs/dbraw/zinc/83/42/65/952834265.db2.gz XELGVYBIRIEFKD-UHFFFAOYSA-N -1 1 381.400 1.106 20 0 GDADMM CCCN1CCN(C(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)C(C)(C)C1=O ZINC001571182845 952869814 /nfs/dbraw/zinc/86/98/14/952869814.db2.gz HNQNGFCYSSLAGU-UHFFFAOYSA-N -1 1 381.440 1.821 20 0 GDADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CSC(c2ccccc2O)=N1 ZINC001571183133 952874496 /nfs/dbraw/zinc/87/44/96/952874496.db2.gz PQRWTBMNVKCEHF-ZDUSSCGKSA-N -1 1 381.421 1.146 20 0 GDADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CSC(c2ccccc2O)=N1 ZINC001571183133 952874502 /nfs/dbraw/zinc/87/45/02/952874502.db2.gz PQRWTBMNVKCEHF-ZDUSSCGKSA-N -1 1 381.421 1.146 20 0 GDADMM CCc1nc(NC[C@@H]2CN(C(=O)c3ccc[nH]3)C[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571183606 952880574 /nfs/dbraw/zinc/88/05/74/952880574.db2.gz FLVRKBOMMAOXGS-VXGBXAGGSA-N -1 1 381.444 1.367 20 0 GDADMM CCc1nc(NC[C@@H]2CN(C(=O)c3ccc[nH]3)C[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571183606 952880579 /nfs/dbraw/zinc/88/05/79/952880579.db2.gz FLVRKBOMMAOXGS-VXGBXAGGSA-N -1 1 381.444 1.367 20 0 GDADMM CCc1[nH]ccc1C(=O)N[C@@H]1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571183659 952881383 /nfs/dbraw/zinc/88/13/83/952881383.db2.gz GZSHAMNJKBECCV-SMDDNHRTSA-N -1 1 381.444 1.558 20 0 GDADMM CCc1[nH]ccc1C(=O)N[C@@H]1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571183659 952881386 /nfs/dbraw/zinc/88/13/86/952881386.db2.gz GZSHAMNJKBECCV-SMDDNHRTSA-N -1 1 381.444 1.558 20 0 GDADMM CCc1[nH]ccc1C(=O)N1CCC[C@@H]1CN(C)c1nccnc1-c1nnn[n-]1 ZINC001571183751 952881787 /nfs/dbraw/zinc/88/17/87/952881787.db2.gz IPVBTOUMWAADBB-GFCCVEGCSA-N -1 1 381.444 1.288 20 0 GDADMM CCc1[nH]ccc1C(=O)N1CCC[C@@H]1CN(C)c1nccnc1-c1nn[n-]n1 ZINC001571183751 952881791 /nfs/dbraw/zinc/88/17/91/952881791.db2.gz IPVBTOUMWAADBB-GFCCVEGCSA-N -1 1 381.444 1.288 20 0 GDADMM CCc1[nH]ccc1C(=O)N1CC[C@](C)(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571183909 952884531 /nfs/dbraw/zinc/88/45/31/952884531.db2.gz MTQBMFQLCKAOSG-GOSISDBHSA-N -1 1 381.444 1.512 20 0 GDADMM CCc1[nH]ccc1C(=O)N1CC[C@](C)(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571183909 952884539 /nfs/dbraw/zinc/88/45/39/952884539.db2.gz MTQBMFQLCKAOSG-GOSISDBHSA-N -1 1 381.444 1.512 20 0 GDADMM CCc1nc(N[C@@H]2C[C@@H](C)N(C(=O)c3cccn3C)C2)cc(-c2nnn[n-]2)n1 ZINC001571183918 952885003 /nfs/dbraw/zinc/88/50/03/952885003.db2.gz MTWLCHZNAHNQPL-VXGBXAGGSA-N -1 1 381.444 1.273 20 0 GDADMM CCc1nc(N[C@@H]2C[C@@H](C)N(C(=O)c3cccn3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571183918 952885008 /nfs/dbraw/zinc/88/50/08/952885008.db2.gz MTWLCHZNAHNQPL-VXGBXAGGSA-N -1 1 381.444 1.273 20 0 GDADMM CCc1c(C(=O)N2CCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)ccn1C ZINC001571184393 952891902 /nfs/dbraw/zinc/89/19/02/952891902.db2.gz YGYLRCYAOOMSSH-GFCCVEGCSA-N -1 1 381.444 1.274 20 0 GDADMM CCc1c(C(=O)N2CCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)ccn1C ZINC001571184393 952891908 /nfs/dbraw/zinc/89/19/08/952891908.db2.gz YGYLRCYAOOMSSH-GFCCVEGCSA-N -1 1 381.444 1.274 20 0 GDADMM Cc1c[nH]cc1C(=O)N[C@@H]1CCCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571184784 952896915 /nfs/dbraw/zinc/89/69/15/952896915.db2.gz DAKFILTZOKXEEQ-TZMCWYRMSA-N -1 1 381.444 1.694 20 0 GDADMM Cc1c[nH]cc1C(=O)N[C@@H]1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571184784 952896924 /nfs/dbraw/zinc/89/69/24/952896924.db2.gz DAKFILTZOKXEEQ-TZMCWYRMSA-N -1 1 381.444 1.694 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CCCC[C@@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001571185677 952903435 /nfs/dbraw/zinc/90/34/35/952903435.db2.gz OAKXJFNYIZEMOY-CYBMUJFWSA-N -1 1 381.444 1.790 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CCCC[C@@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001571185677 952903438 /nfs/dbraw/zinc/90/34/38/952903438.db2.gz OAKXJFNYIZEMOY-CYBMUJFWSA-N -1 1 381.444 1.790 20 0 GDADMM Cc1c(C(=O)N2CC[C@H]([C@H](C)Nc3ccc(-c4nnn[n-]4)nn3)C2)ccn1C ZINC001571186620 952907507 /nfs/dbraw/zinc/90/75/07/952907507.db2.gz YSPNUSHLPQZWPM-AAEUAGOBSA-N -1 1 381.444 1.266 20 0 GDADMM Cc1c(C(=O)N2CC[C@H]([C@H](C)Nc3ccc(-c4nn[n-]n4)nn3)C2)ccn1C ZINC001571186620 952907517 /nfs/dbraw/zinc/90/75/17/952907517.db2.gz YSPNUSHLPQZWPM-AAEUAGOBSA-N -1 1 381.444 1.266 20 0 GDADMM CCn1cccc1C(=O)N1C[C@@H](C)[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571186649 952907768 /nfs/dbraw/zinc/90/77/68/952907768.db2.gz ZIGFWWVRHXKABD-OLZOCXBDSA-N -1 1 381.444 1.298 20 0 GDADMM CCn1cccc1C(=O)N1C[C@@H](C)[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571186649 952907771 /nfs/dbraw/zinc/90/77/71/952907771.db2.gz ZIGFWWVRHXKABD-OLZOCXBDSA-N -1 1 381.444 1.298 20 0 GDADMM Cc1cc(C)c(C(=O)N2CC[C@@H](CCNc3nccnc3-c3nnn[n-]3)C2)[nH]1 ZINC001571189101 952923845 /nfs/dbraw/zinc/92/38/45/952923845.db2.gz SBEUZVBWMVFBPQ-CYBMUJFWSA-N -1 1 381.444 1.566 20 0 GDADMM Cc1cc(C)c(C(=O)N2CC[C@@H](CCNc3nccnc3-c3nn[n-]n3)C2)[nH]1 ZINC001571189101 952923847 /nfs/dbraw/zinc/92/38/47/952923847.db2.gz SBEUZVBWMVFBPQ-CYBMUJFWSA-N -1 1 381.444 1.566 20 0 GDADMM Cc1cc(C)c(C(=O)N2CC[C@H](CN(C)c3ccc(-c4nnn[n-]4)nn3)C2)[nH]1 ZINC001571189258 952926134 /nfs/dbraw/zinc/92/61/34/952926134.db2.gz UFEGTAPWWXUDMN-CYBMUJFWSA-N -1 1 381.444 1.200 20 0 GDADMM Cc1cc(C)c(C(=O)N2CC[C@H](CN(C)c3ccc(-c4nn[n-]n4)nn3)C2)[nH]1 ZINC001571189258 952926138 /nfs/dbraw/zinc/92/61/38/952926138.db2.gz UFEGTAPWWXUDMN-CYBMUJFWSA-N -1 1 381.444 1.200 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)CC2)n1C ZINC001571189536 952930652 /nfs/dbraw/zinc/93/06/52/952930652.db2.gz WXUINNQNHJSIGJ-ZDUSSCGKSA-N -1 1 381.444 1.093 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)CC2)n1C ZINC001571189536 952930657 /nfs/dbraw/zinc/93/06/57/952930657.db2.gz WXUINNQNHJSIGJ-ZDUSSCGKSA-N -1 1 381.444 1.093 20 0 GDADMM CN(Cc1noc(C2CC2)n1)C(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001571190526 952943161 /nfs/dbraw/zinc/94/31/61/952943161.db2.gz KRNSRIPXIQWWNL-UHFFFAOYSA-N -1 1 381.809 1.901 20 0 GDADMM CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CC[C@@H]1c1ccc(F)cc1 ZINC001571195566 952976055 /nfs/dbraw/zinc/97/60/55/952976055.db2.gz BVCPAGBKZHMKRC-HUUCEWRRSA-N -1 1 382.403 1.294 20 0 GDADMM CN(C[C@H]1CCN(C(=O)c2ccc(F)cc2)C1)c1cncc(-c2nnn[n-]2)n1 ZINC001571195796 952978922 /nfs/dbraw/zinc/97/89/22/952978922.db2.gz GBIATNSTZODFIV-GFCCVEGCSA-N -1 1 382.403 1.394 20 0 GDADMM CN(C[C@H]1CCN(C(=O)c2ccc(F)cc2)C1)c1cncc(-c2nn[n-]n2)n1 ZINC001571195796 952978926 /nfs/dbraw/zinc/97/89/26/952978926.db2.gz GBIATNSTZODFIV-GFCCVEGCSA-N -1 1 382.403 1.394 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)[C@@H](F)c3ccccc3)C2)n1 ZINC001571195799 952979200 /nfs/dbraw/zinc/97/92/00/952979200.db2.gz GBTNWOLNOHATRK-ZFWWWQNUSA-N -1 1 382.403 1.371 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)[C@@H](F)c3ccccc3)C2)n1 ZINC001571195799 952979207 /nfs/dbraw/zinc/97/92/07/952979207.db2.gz GBTNWOLNOHATRK-ZFWWWQNUSA-N -1 1 382.403 1.371 20 0 GDADMM C[C@@H](C(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)c1cccc(F)c1 ZINC001571196352 952981228 /nfs/dbraw/zinc/98/12/28/952981228.db2.gz JFOJPKGDSQCRAL-GFCCVEGCSA-N -1 1 382.403 1.248 20 0 GDADMM C[C@@H](C(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)c1cccc(F)c1 ZINC001571196352 952981235 /nfs/dbraw/zinc/98/12/35/952981235.db2.gz JFOJPKGDSQCRAL-GFCCVEGCSA-N -1 1 382.403 1.248 20 0 GDADMM Cc1ccc(C(=O)N2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@@H](C)C2)c(F)c1 ZINC001571196980 952986479 /nfs/dbraw/zinc/98/64/79/952986479.db2.gz QZQGQBPVGNILPU-NHYWBVRUSA-N -1 1 382.403 1.677 20 0 GDADMM Cc1ccc(C(=O)N2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@@H](C)C2)c(F)c1 ZINC001571196980 952986480 /nfs/dbraw/zinc/98/64/80/952986480.db2.gz QZQGQBPVGNILPU-NHYWBVRUSA-N -1 1 382.403 1.677 20 0 GDADMM Cc1ccc(F)cc1C(=O)NC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571197396 952989386 /nfs/dbraw/zinc/98/93/86/952989386.db2.gz ZCKZJBYGQOMDED-ZDUSSCGKSA-N -1 1 382.403 1.503 20 0 GDADMM Cc1ccc(F)cc1C(=O)NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571197396 952989389 /nfs/dbraw/zinc/98/93/89/952989389.db2.gz ZCKZJBYGQOMDED-ZDUSSCGKSA-N -1 1 382.403 1.503 20 0 GDADMM CCc1occc1C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001571198751 952992462 /nfs/dbraw/zinc/99/24/62/952992462.db2.gz FQJRMGJSWGACEC-VXGBXAGGSA-N -1 1 382.428 1.314 20 0 GDADMM CCc1occc1C(=O)N1CC[C@H](CN(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571198747 952992929 /nfs/dbraw/zinc/99/29/29/952992929.db2.gz FNNNUQQDUNDJLN-GFCCVEGCSA-N -1 1 382.428 1.411 20 0 GDADMM CN(C[C@@H]1CCCN1C(=O)CCc1ccoc1)c1nccnc1-c1nnn[n-]1 ZINC001571199472 953000478 /nfs/dbraw/zinc/00/04/78/953000478.db2.gz SDZRCYZJNKOKLJ-AWEZNQCLSA-N -1 1 382.428 1.310 20 0 GDADMM CN(C[C@@H]1CCCN1C(=O)CCc1ccoc1)c1nccnc1-c1nn[n-]n1 ZINC001571199472 953000479 /nfs/dbraw/zinc/00/04/79/953000479.db2.gz SDZRCYZJNKOKLJ-AWEZNQCLSA-N -1 1 382.428 1.310 20 0 GDADMM O=C(N[C@H]1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC001571199794 953005185 /nfs/dbraw/zinc/00/51/85/953005185.db2.gz CGANHVQVJLKNPU-OCCSQVGLSA-N -1 1 382.403 1.228 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@H](CCNc3cncc(-c4nnn[n-]4)n3)C2)co1 ZINC001571200478 953010026 /nfs/dbraw/zinc/01/00/26/953010026.db2.gz CJUQVABJQBPQBM-CYBMUJFWSA-N -1 1 382.428 1.913 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@H](CCNc3cncc(-c4nn[n-]n4)n3)C2)co1 ZINC001571200478 953010030 /nfs/dbraw/zinc/01/00/30/953010030.db2.gz CJUQVABJQBPQBM-CYBMUJFWSA-N -1 1 382.428 1.913 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)Cc3ccco3)C[C@@H]2C)n1 ZINC001571200574 953011100 /nfs/dbraw/zinc/01/11/00/953011100.db2.gz DXOJOZDTPDKBNW-FZMZJTMJSA-N -1 1 382.428 1.450 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)Cc3ccco3)C[C@@H]2C)n1 ZINC001571200574 953011105 /nfs/dbraw/zinc/01/11/05/953011105.db2.gz DXOJOZDTPDKBNW-FZMZJTMJSA-N -1 1 382.428 1.450 20 0 GDADMM O=C(NC[C@@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1)c1cccc(F)c1 ZINC001571201551 953019003 /nfs/dbraw/zinc/01/90/03/953019003.db2.gz RKAZAGUOYFJZAZ-AWEZNQCLSA-N -1 1 382.403 1.585 20 0 GDADMM O=C(NC[C@@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001571201551 953019004 /nfs/dbraw/zinc/01/90/04/953019004.db2.gz RKAZAGUOYFJZAZ-AWEZNQCLSA-N -1 1 382.403 1.585 20 0 GDADMM Cc1cocc1C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C ZINC001571201856 953020562 /nfs/dbraw/zinc/02/05/62/953020562.db2.gz OQEVRXONMDMHRI-CQSZACIVSA-N -1 1 382.428 1.593 20 0 GDADMM Cc1cocc1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C ZINC001571201856 953020566 /nfs/dbraw/zinc/02/05/66/953020566.db2.gz OQEVRXONMDMHRI-CQSZACIVSA-N -1 1 382.428 1.593 20 0 GDADMM O=C(NC[C@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1)c1ccccc1F ZINC001571202143 953022605 /nfs/dbraw/zinc/02/26/05/953022605.db2.gz VSDZDRBABPCJAK-GFCCVEGCSA-N -1 1 382.403 1.585 20 0 GDADMM O=C(NC[C@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1)c1ccccc1F ZINC001571202143 953022611 /nfs/dbraw/zinc/02/26/11/953022611.db2.gz VSDZDRBABPCJAK-GFCCVEGCSA-N -1 1 382.403 1.585 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)[C@H](C)C2)co1 ZINC001571202329 953023769 /nfs/dbraw/zinc/02/37/69/953023769.db2.gz TUSBGTPPDCBQOJ-YPMHNXCESA-N -1 1 382.428 1.190 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCCN2C(=O)[C@@H](C)c2ccco2)n1 ZINC001571202230 953024163 /nfs/dbraw/zinc/02/41/63/953024163.db2.gz RXSANUCUBTZRJE-QWHCGFSZSA-N -1 1 382.428 1.765 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCCN2C(=O)[C@@H](C)c2ccco2)n1 ZINC001571202230 953024169 /nfs/dbraw/zinc/02/41/69/953024169.db2.gz RXSANUCUBTZRJE-QWHCGFSZSA-N -1 1 382.428 1.765 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001571202386 953024455 /nfs/dbraw/zinc/02/44/55/953024455.db2.gz WADJJEFKJLNWRY-OLZOCXBDSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001571202386 953024459 /nfs/dbraw/zinc/02/44/59/953024459.db2.gz WADJJEFKJLNWRY-OLZOCXBDSA-N -1 1 382.428 1.704 20 0 GDADMM Cc1oc(C)c(C(=O)N[C@H]2C[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)c1C ZINC001571204578 953030316 /nfs/dbraw/zinc/03/03/16/953030316.db2.gz ABKJFSULGJEGOM-JOCQHMNTSA-N -1 1 382.428 1.217 20 0 GDADMM CC(C)n1nccc1C(=O)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571204912 953033957 /nfs/dbraw/zinc/03/39/57/953033957.db2.gz FQIDNJSBFUIAPQ-LBPRGKRZSA-N -1 1 382.432 1.008 20 0 GDADMM CC(C)n1nccc1C(=O)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571204912 953033961 /nfs/dbraw/zinc/03/39/61/953033961.db2.gz FQIDNJSBFUIAPQ-LBPRGKRZSA-N -1 1 382.432 1.008 20 0 GDADMM O=C(CCc1ccco1)N1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571206597 953052695 /nfs/dbraw/zinc/05/26/95/953052695.db2.gz RKZWVNUBEKPHBU-ZDUSSCGKSA-N -1 1 382.428 1.097 20 0 GDADMM Cc1[nH]nc(C(=O)N[C@@H]2CC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)c1C ZINC001571207191 953059731 /nfs/dbraw/zinc/05/97/31/953059731.db2.gz OLGLAOOJDQPOMZ-VXGBXAGGSA-N -1 1 382.432 1.007 20 0 GDADMM Cc1c[nH]c(C(=O)N2CCC[C@@H]([C@H](C)Nc3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571207683 953066101 /nfs/dbraw/zinc/06/61/01/953066101.db2.gz ZSVFUWODTMHOIU-NWDGAFQWSA-N -1 1 382.432 1.041 20 0 GDADMM Cc1c[nH]c(C(=O)N2CCC[C@@H]([C@H](C)Nc3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571207683 953066105 /nfs/dbraw/zinc/06/61/05/953066105.db2.gz ZSVFUWODTMHOIU-NWDGAFQWSA-N -1 1 382.432 1.041 20 0 GDADMM Cc1c[nH]c(C(=O)N2CCC[C@H]([C@@H](C)Nc3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571207682 953066418 /nfs/dbraw/zinc/06/64/18/953066418.db2.gz ZSVFUWODTMHOIU-NEPJUHHUSA-N -1 1 382.432 1.041 20 0 GDADMM Cc1c[nH]c(C(=O)N2CCC[C@H]([C@@H](C)Nc3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571207682 953066420 /nfs/dbraw/zinc/06/64/20/953066420.db2.gz ZSVFUWODTMHOIU-NEPJUHHUSA-N -1 1 382.432 1.041 20 0 GDADMM C[C@H]1CN(C(=O)C23CCC(CC2)CC3)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571212426 953088598 /nfs/dbraw/zinc/08/85/98/953088598.db2.gz LLOSBUFNTMJOAH-WTWWAQLFSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@H]1CN(C(=O)C23CCC(CC2)CC3)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571212426 953088601 /nfs/dbraw/zinc/08/86/01/953088601.db2.gz LLOSBUFNTMJOAH-WTWWAQLFSA-N -1 1 382.472 1.886 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H]3CCN(C(=O)CCC4CC4)[C@@H]3C2)n1 ZINC001571213234 953093135 /nfs/dbraw/zinc/09/31/35/953093135.db2.gz PXLCMRQIVBCTJD-DZGCQCFKSA-N -1 1 382.472 1.446 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H]3CCN(C(=O)CCC4CC4)[C@@H]3C2)n1 ZINC001571213234 953093138 /nfs/dbraw/zinc/09/31/38/953093138.db2.gz PXLCMRQIVBCTJD-DZGCQCFKSA-N -1 1 382.472 1.446 20 0 GDADMM CC1(C)C(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccnc(-c3nn[n-]n3)n2)C1(C)C ZINC001571213216 953093740 /nfs/dbraw/zinc/09/37/40/953093740.db2.gz PSDPRMTYTRWUEJ-TXEJJXNPSA-N -1 1 382.472 1.519 20 0 GDADMM O=C(N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1(C2CCCCC2)CC1 ZINC001571218450 953114779 /nfs/dbraw/zinc/11/47/79/953114779.db2.gz OBTXYGAGBLHTPK-CQSZACIVSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1(C2CCCCC2)CC1 ZINC001571218450 953114782 /nfs/dbraw/zinc/11/47/82/953114782.db2.gz OBTXYGAGBLHTPK-CQSZACIVSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(c1ncccc1F)N1CCC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571218580 953117103 /nfs/dbraw/zinc/11/71/03/953117103.db2.gz BXBNKYQCUHARPE-NSHDSACASA-N -1 1 383.391 1.155 20 0 GDADMM O=C(c1ncccc1F)N1CCC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571218580 953117106 /nfs/dbraw/zinc/11/71/06/953117106.db2.gz BXBNKYQCUHARPE-NSHDSACASA-N -1 1 383.391 1.155 20 0 GDADMM CCOC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001571218658 953118315 /nfs/dbraw/zinc/11/83/15/953118315.db2.gz DIOAMNSJGSCSHD-YPMHNXCESA-N -1 1 383.405 1.016 20 0 GDADMM O=C(NC[C@@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1)[C@H]1CCCC12CC2 ZINC001571219424 953125991 /nfs/dbraw/zinc/12/59/91/953125991.db2.gz ZNFBHDBUIAPGNA-UONOGXRCSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(NC[C@@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1)[C@H]1CCCC12CC2 ZINC001571219424 953125993 /nfs/dbraw/zinc/12/59/93/953125993.db2.gz ZNFBHDBUIAPGNA-UONOGXRCSA-N -1 1 382.472 1.712 20 0 GDADMM CCc1nc(C(=O)N2CC[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)c(C)o1 ZINC001571222162 953131781 /nfs/dbraw/zinc/13/17/81/953131781.db2.gz DIOUFPDKFBWWAH-NSHDSACASA-N -1 1 383.416 1.151 20 0 GDADMM CCc1nc(C(=O)N2CC[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)c(C)o1 ZINC001571222162 953131783 /nfs/dbraw/zinc/13/17/83/953131783.db2.gz DIOUFPDKFBWWAH-NSHDSACASA-N -1 1 383.416 1.151 20 0 GDADMM CCc1nc(C(=O)N[C@H]2CCC[C@H]2CNc2nccnc2-c2nnn[n-]2)co1 ZINC001571222339 953133354 /nfs/dbraw/zinc/13/33/54/953133354.db2.gz GMWKYLZHFJHRGW-QWRGUYRKSA-N -1 1 383.416 1.218 20 0 GDADMM CCc1nc(C(=O)N[C@H]2CCC[C@H]2CNc2nccnc2-c2nn[n-]n2)co1 ZINC001571222339 953133357 /nfs/dbraw/zinc/13/33/57/953133357.db2.gz GMWKYLZHFJHRGW-QWRGUYRKSA-N -1 1 383.416 1.218 20 0 GDADMM CCc1noc(C)c1C(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571222719 953137400 /nfs/dbraw/zinc/13/74/00/953137400.db2.gz KFUBLIZQUOHDAP-NOZJJQNGSA-N -1 1 383.416 1.088 20 0 GDADMM CCc1noc(C)c1C(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571222719 953137404 /nfs/dbraw/zinc/13/74/04/953137404.db2.gz KFUBLIZQUOHDAP-NOZJJQNGSA-N -1 1 383.416 1.088 20 0 GDADMM CC(C)c1cc(C(=O)NC[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)on1 ZINC001571223748 953146456 /nfs/dbraw/zinc/14/64/56/953146456.db2.gz UGTWPBCSWNOGAN-NSHDSACASA-N -1 1 383.416 1.024 20 0 GDADMM CCc1nc(NC2CC(N(C)C(=O)c3conc3C)C2)cc(-c2nnn[n-]2)n1 ZINC001571223850 953147893 /nfs/dbraw/zinc/14/78/93/953147893.db2.gz YJANNMLNIPUIML-UHFFFAOYSA-N -1 1 383.416 1.231 20 0 GDADMM CCc1nc(NC2CC(N(C)C(=O)c3conc3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571223850 953147895 /nfs/dbraw/zinc/14/78/95/953147895.db2.gz YJANNMLNIPUIML-UHFFFAOYSA-N -1 1 383.416 1.231 20 0 GDADMM Cc1nc(C(=O)N2CC[C@@H](C)[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)co1 ZINC001571225265 953152872 /nfs/dbraw/zinc/15/28/72/953152872.db2.gz IXGAOMYPPGZXGF-ZYHUDNBSSA-N -1 1 383.416 1.163 20 0 GDADMM Cc1nc(C(=O)N2CC[C@@H](C)[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)co1 ZINC001571225265 953152875 /nfs/dbraw/zinc/15/28/75/953152875.db2.gz IXGAOMYPPGZXGF-ZYHUDNBSSA-N -1 1 383.416 1.163 20 0 GDADMM Cc1cc(C(=O)N2CCCC[C@H]2[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)no1 ZINC001571226908 953156679 /nfs/dbraw/zinc/15/66/79/953156679.db2.gz WPIIYMVQYNGUFJ-RISCZKNCSA-N -1 1 383.416 1.448 20 0 GDADMM Cc1cc(C(=O)N2CCCC[C@H]2[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)no1 ZINC001571226908 953156683 /nfs/dbraw/zinc/15/66/83/953156683.db2.gz WPIIYMVQYNGUFJ-RISCZKNCSA-N -1 1 383.416 1.448 20 0 GDADMM Cc1nc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)[C@H]2C)c(C)o1 ZINC001571226641 953157055 /nfs/dbraw/zinc/15/70/55/953157055.db2.gz UJUMXIMOTXWZKB-JOYOIKCWSA-N -1 1 383.416 1.049 20 0 GDADMM Cc1nc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)[C@H]2C)c(C)o1 ZINC001571226641 953157061 /nfs/dbraw/zinc/15/70/61/953157061.db2.gz UJUMXIMOTXWZKB-JOYOIKCWSA-N -1 1 383.416 1.049 20 0 GDADMM Cc1cc(C(=O)N2CCCC[C@@H]2[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)no1 ZINC001571226906 953157068 /nfs/dbraw/zinc/15/70/68/953157068.db2.gz WPIIYMVQYNGUFJ-BXUZGUMPSA-N -1 1 383.416 1.448 20 0 GDADMM Cc1cc(C(=O)N2CCCC[C@@H]2[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)no1 ZINC001571226906 953157070 /nfs/dbraw/zinc/15/70/70/953157070.db2.gz WPIIYMVQYNGUFJ-BXUZGUMPSA-N -1 1 383.416 1.448 20 0 GDADMM Cc1ocnc1C(=O)N1CCCC[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001571228653 953165804 /nfs/dbraw/zinc/16/58/04/953165804.db2.gz UVTFLPDHFTYDGO-LBPRGKRZSA-N -1 1 383.416 1.450 20 0 GDADMM Cc1ocnc1C(=O)N1CCCC[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001571228653 953165806 /nfs/dbraw/zinc/16/58/06/953165806.db2.gz UVTFLPDHFTYDGO-LBPRGKRZSA-N -1 1 383.416 1.450 20 0 GDADMM Cc1nsc(N2CCC(NC(=O)[C@H]3C[C@@H]3C(F)F)CC2)c1-c1nn[n-]n1 ZINC001571229667 953170840 /nfs/dbraw/zinc/17/08/40/953170840.db2.gz JCOVBBNLQPJGJX-UWVGGRQHSA-N -1 1 383.428 1.618 20 0 GDADMM O=C(C[C@@H]1CCCO1)N[C@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571234855 953206327 /nfs/dbraw/zinc/20/63/27/953206327.db2.gz KRYLZWOJYFUWNW-IUCAKERBSA-N -1 1 383.865 1.241 20 0 GDADMM O=C(C[C@@H]1CCCO1)N[C@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571234855 953206329 /nfs/dbraw/zinc/20/63/29/953206329.db2.gz KRYLZWOJYFUWNW-IUCAKERBSA-N -1 1 383.865 1.241 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CCC[C@@H]2c2ncccn2)cc1-c1nn[n-]n1 ZINC001571241577 953248248 /nfs/dbraw/zinc/24/82/48/953248248.db2.gz DWAPVECYOYQEPV-LLVKDONJSA-N -1 1 384.425 1.457 20 0 GDADMM COc1cc(C)cc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1C ZINC001571242473 953256999 /nfs/dbraw/zinc/25/69/99/953256999.db2.gz HFVNNZFZQNOAJK-UHFFFAOYSA-N -1 1 384.444 1.502 20 0 GDADMM COc1cc(C)cc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1C ZINC001571242473 953257002 /nfs/dbraw/zinc/25/70/02/953257002.db2.gz HFVNNZFZQNOAJK-UHFFFAOYSA-N -1 1 384.444 1.502 20 0 GDADMM Cc1nsc(N2CCC(NC(=O)c3ncccc3C)CC2)c1-c1nn[n-]n1 ZINC001571244552 953264937 /nfs/dbraw/zinc/26/49/37/953264937.db2.gz AOIASSXYMRKMEX-UHFFFAOYSA-N -1 1 384.469 1.734 20 0 GDADMM Cc1ccc(CC(=O)N2C[C@@H](C)[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)s1 ZINC001571244556 953265342 /nfs/dbraw/zinc/26/53/42/953265342.db2.gz APSDDDUMLLRMGW-MFKMUULPSA-N -1 1 384.469 1.528 20 0 GDADMM Cc1ccc(CC(=O)N2C[C@@H](C)[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)s1 ZINC001571244556 953265344 /nfs/dbraw/zinc/26/53/44/953265344.db2.gz APSDDDUMLLRMGW-MFKMUULPSA-N -1 1 384.469 1.528 20 0 GDADMM CCc1nc(N[C@@H]2C[C@@H](C)N(C(=O)c3ccsc3)C2)cc(-c2nnn[n-]2)n1 ZINC001571244898 953268241 /nfs/dbraw/zinc/26/82/41/953268241.db2.gz LJOAUSLTJKYEIH-ZYHUDNBSSA-N -1 1 384.469 1.996 20 0 GDADMM CCc1nc(N[C@@H]2C[C@@H](C)N(C(=O)c3ccsc3)C2)cc(-c2nn[n-]n2)n1 ZINC001571244898 953268242 /nfs/dbraw/zinc/26/82/42/953268242.db2.gz LJOAUSLTJKYEIH-ZYHUDNBSSA-N -1 1 384.469 1.996 20 0 GDADMM Cc1cscc1C(=O)NC[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571244900 953268282 /nfs/dbraw/zinc/26/82/82/953268282.db2.gz LKPRFCRUOFXUDT-LBPRGKRZSA-N -1 1 384.469 1.673 20 0 GDADMM Cc1cscc1C(=O)NC[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571244900 953268283 /nfs/dbraw/zinc/26/82/83/953268283.db2.gz LKPRFCRUOFXUDT-LBPRGKRZSA-N -1 1 384.469 1.673 20 0 GDADMM Cc1ccsc1C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)[C@H]1C ZINC001571244904 953268357 /nfs/dbraw/zinc/26/83/57/953268357.db2.gz LRHNLUHQJBWAKU-RYUDHWBXSA-N -1 1 384.469 1.814 20 0 GDADMM Cc1ccsc1C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)[C@H]1C ZINC001571244904 953268360 /nfs/dbraw/zinc/26/83/60/953268360.db2.gz LRHNLUHQJBWAKU-RYUDHWBXSA-N -1 1 384.469 1.814 20 0 GDADMM Cc1cc(C)c(C(=O)N2CC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)s1 ZINC001571245820 953277197 /nfs/dbraw/zinc/27/71/97/953277197.db2.gz ZOOOBAIDZLYBDX-GFCCVEGCSA-N -1 1 384.469 1.331 20 0 GDADMM Cc1sccc1C(=O)N1CC[C@@H]([C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571248295 953291629 /nfs/dbraw/zinc/29/16/29/953291629.db2.gz PSEXMHSPHQHJCU-ZYHUDNBSSA-N -1 1 384.469 1.411 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001571249040 953300704 /nfs/dbraw/zinc/30/07/04/953300704.db2.gz BQNKAMXOADIKNO-KBPBESRZSA-N -1 1 384.488 1.555 20 0 GDADMM C[C@H]1CN(C(=O)CC2CCCCCC2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571249076 953300943 /nfs/dbraw/zinc/30/09/43/953300943.db2.gz CPNBDTLOLNGVMJ-DZGCQCFKSA-N -1 1 384.488 1.698 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C(C)(C)C2CCC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571249273 953302365 /nfs/dbraw/zinc/30/23/65/953302365.db2.gz HDGKYEOCGYDYNA-OCCSQVGLSA-N -1 1 384.488 1.957 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571249662 953305426 /nfs/dbraw/zinc/30/54/26/953305426.db2.gz KFYSNPOPKDIRMY-MELADBBJSA-N -1 1 384.488 1.672 20 0 GDADMM CC1(C)CC[C@@H](C(=O)NCC2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001571249620 953306038 /nfs/dbraw/zinc/30/60/38/953306038.db2.gz JTQCXAAZGVRRQF-CQSZACIVSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C)CC[C@@H](C(=O)NCC2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC001571249620 953306041 /nfs/dbraw/zinc/30/60/41/953306041.db2.gz JTQCXAAZGVRRQF-CQSZACIVSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)[C@@H](C)C(=O)N1CCC[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001571249476 953306128 /nfs/dbraw/zinc/30/61/28/953306128.db2.gz JPLCPVXJUAHOGB-AUUYWEPGSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)[C@@H](C)C(=O)N1CCC[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001571249476 953306134 /nfs/dbraw/zinc/30/61/34/953306134.db2.gz JPLCPVXJUAHOGB-AUUYWEPGSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)CC2CC(C)(C)C2)C1 ZINC001571251134 953314674 /nfs/dbraw/zinc/31/46/74/953314674.db2.gz WEVVPAIKCFJBIM-GXTWGEPZSA-N -1 1 384.488 1.554 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H]3[C@@H]2CCCN3C(=O)CC(C)(C)C)n1 ZINC001571251865 953320154 /nfs/dbraw/zinc/32/01/54/953320154.db2.gz BQASVWZXTQSHRP-LSDHHAIUSA-N -1 1 384.488 1.971 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H]3[C@@H]2CCCN3C(=O)CC(C)(C)C)n1 ZINC001571251865 953320158 /nfs/dbraw/zinc/32/01/58/953320158.db2.gz BQASVWZXTQSHRP-LSDHHAIUSA-N -1 1 384.488 1.971 20 0 GDADMM CC[C@H]1CC[C@H](C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571252048 953322456 /nfs/dbraw/zinc/32/24/56/953322456.db2.gz GFAARICAYFJZEZ-RBSFLKMASA-N -1 1 384.488 1.958 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)[C@@H]2CCCC2(C)C)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571252415 953328144 /nfs/dbraw/zinc/32/81/44/953328144.db2.gz MGPBIINSKWHLSZ-KBPBESRZSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H]1CN(C(=O)CCC2CCC2)C[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001571252444 953328642 /nfs/dbraw/zinc/32/86/42/953328642.db2.gz MTORMKBGVSTQMK-UKRRQHHQSA-N -1 1 384.488 1.555 20 0 GDADMM CN(C[C@@H]1CCCN(C(=O)C2CC(C)(C)C2)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571252578 953330629 /nfs/dbraw/zinc/33/06/29/953330629.db2.gz QGVBYDXWKGVIKE-ZDUSSCGKSA-N -1 1 384.488 1.768 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H](NC(=O)C3(C)CCCC3)C2)n1 ZINC001571252610 953330794 /nfs/dbraw/zinc/33/07/94/953330794.db2.gz RHFMNODSDSNHFX-CYBMUJFWSA-N -1 1 384.488 1.884 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H](NC(=O)C3(C)CCCC3)C2)n1 ZINC001571252610 953330797 /nfs/dbraw/zinc/33/07/97/953330797.db2.gz RHFMNODSDSNHFX-CYBMUJFWSA-N -1 1 384.488 1.884 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N(C)C[C@H]2CCCN(C(=O)C3CCC3)C2)n1 ZINC001571252608 953331133 /nfs/dbraw/zinc/33/11/33/953331133.db2.gz RHESLBMTYHNMNK-CYBMUJFWSA-N -1 1 384.488 1.694 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N(C)C[C@H]2CCCN(C(=O)C3CCC3)C2)n1 ZINC001571252608 953331135 /nfs/dbraw/zinc/33/11/35/953331135.db2.gz RHESLBMTYHNMNK-CYBMUJFWSA-N -1 1 384.488 1.694 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@@H]1CCCCN1C(=O)c1cc(F)c[nH]1 ZINC001571256125 953364183 /nfs/dbraw/zinc/36/41/83/953364183.db2.gz YOMZOZYIXOFQGT-MFKMUULPSA-N -1 1 385.407 1.619 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@@H]1CCCCN1C(=O)c1cc(F)c[nH]1 ZINC001571256125 953364192 /nfs/dbraw/zinc/36/41/92/953364192.db2.gz YOMZOZYIXOFQGT-MFKMUULPSA-N -1 1 385.407 1.619 20 0 GDADMM CC(C)C[C@@H](CNC(=O)NCCN1CCN(Cc2ccccc2)CC1)C(=O)[O-] ZINC000424390848 953457040 /nfs/dbraw/zinc/45/70/40/953457040.db2.gz OYPWVALPKHUTQB-IBGZPJMESA-N -1 1 390.528 1.850 20 0 GDADMM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2[nH]nc3c2CN(C(=O)OC(C)(C)C)CC3)C1 ZINC001589278864 953477589 /nfs/dbraw/zinc/47/75/89/953477589.db2.gz IXPVRXUWNCOGLD-NEPJUHHUSA-N -1 1 392.456 1.886 20 0 GDADMM O=C([O-])C1(CNC(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)CCOCC1 ZINC000646149957 953928832 /nfs/dbraw/zinc/92/88/32/953928832.db2.gz XDDYLUGIOBYFPS-UHFFFAOYSA-N -1 1 377.376 1.291 20 0 GDADMM O=C([O-])C1(CNC(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)CCOCC1 ZINC000646149957 953928834 /nfs/dbraw/zinc/92/88/34/953928834.db2.gz XDDYLUGIOBYFPS-UHFFFAOYSA-N -1 1 377.376 1.291 20 0 GDADMM Cc1c(Cl)cccc1NC(=O)CNC(=O)CN1CCC(C)(C(=O)[O-])CC1 ZINC000647372230 953955857 /nfs/dbraw/zinc/95/58/57/953955857.db2.gz HVYALVVAEVKXRU-UHFFFAOYSA-N -1 1 381.860 1.890 20 0 GDADMM CN(C)C(=O)N(C)[C@@H]1CCN(Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)C1 ZINC001593687600 953998742 /nfs/dbraw/zinc/99/87/42/953998742.db2.gz VMMHLMWDSYLYJO-LSDHHAIUSA-N -1 1 378.473 1.768 20 0 GDADMM C[C@H](C1CC1)N(C(=O)CN1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1)C1CC1 ZINC000650499516 954015617 /nfs/dbraw/zinc/01/56/17/954015617.db2.gz UQORYNJCEDJLFJ-UKRRQHHQSA-N -1 1 377.485 1.173 20 0 GDADMM O=C([O-])[C@@]1(C(=O)NCCCCN2CCN(c3ncccn3)CC2)CC=CCC1 ZINC000653292263 954100066 /nfs/dbraw/zinc/10/00/66/954100066.db2.gz YRASEQGTKKPGDB-FQEVSTJZSA-N -1 1 387.484 1.306 20 0 GDADMM CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)c1 ZINC001593706524 954149008 /nfs/dbraw/zinc/14/90/08/954149008.db2.gz ACPARKNBFNEGOM-SFHVURJKSA-N -1 1 392.433 1.372 20 0 GDADMM CN1CCN(Cc2ccc(C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)[O-])cc2)CC1 ZINC001593784386 954685381 /nfs/dbraw/zinc/68/53/81/954685381.db2.gz HUWNCFQNDAQWMV-FQEVSTJZSA-N -1 1 397.475 1.565 20 0 GDADMM CN1CCN(C[C@H](NC(=O)Nc2cccnc2C(=O)[O-])c2ccccc2)CC1 ZINC001593785058 954692610 /nfs/dbraw/zinc/69/26/10/954692610.db2.gz JPPFDOLAFGHLJV-KRWDZBQOSA-N -1 1 383.452 1.890 20 0 GDADMM O=C([O-])C1CCC(O)(CN2C[C@@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)CC1 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/nfs/dbraw/zinc/32/73/43/532327343.db2.gz LJKUWZQGJQXYQX-ZYHUDNBSSA-N -1 1 385.511 1.576 20 0 GDADMM CCOCc1nc([C@H](C)[N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)no1 ZINC000289643339 532329974 /nfs/dbraw/zinc/32/99/74/532329974.db2.gz SPYYVPXCUMBKSN-JTQLQIEISA-N -1 1 389.455 1.049 20 0 GDADMM CCOCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(C(=O)OC)s2)no1 ZINC000289685228 532330641 /nfs/dbraw/zinc/33/06/41/532330641.db2.gz VMRMIDWONSBRQH-MRVPVSSYSA-N -1 1 375.428 1.494 20 0 GDADMM COc1ccc(Br)cc1CC(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000289802088 532332346 /nfs/dbraw/zinc/33/23/46/532332346.db2.gz YOEZXCDMFRFOAH-SNVBAGLBSA-N -1 1 395.257 1.818 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)O[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000737198610 598823467 /nfs/dbraw/zinc/82/34/67/598823467.db2.gz BHTHRPBVETZRNH-DAXOMENPSA-N -1 1 387.440 1.873 20 0 GDADMM C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000736123664 598841106 /nfs/dbraw/zinc/84/11/06/598841106.db2.gz QUQBBKDRDAZVCU-ZCFIWIBFSA-N -1 1 395.210 1.411 20 0 GDADMM Cc1oc(NC(=O)COC(=O)c2cnn3ccccc23)c(-c2nn[n-]n2)c1C ZINC000737550833 598846788 /nfs/dbraw/zinc/84/67/88/598846788.db2.gz CPTSGFUWLNSLOH-UHFFFAOYSA-N -1 1 381.352 1.520 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCC(C)(C)CCCc2ccccc2)n(C)c1=O ZINC000737597696 598871741 /nfs/dbraw/zinc/87/17/41/598871741.db2.gz UHZSHNHBTDPHPM-UHFFFAOYSA-N -1 1 397.483 1.725 20 0 GDADMM NC(=O)CC[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000737748183 598874620 /nfs/dbraw/zinc/87/46/20/598874620.db2.gz OZDOANHMKNVXFH-SNVBAGLBSA-N -1 1 398.876 1.186 20 0 GDADMM NC(=O)CC[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000737748183 598874622 /nfs/dbraw/zinc/87/46/22/598874622.db2.gz OZDOANHMKNVXFH-SNVBAGLBSA-N -1 1 398.876 1.186 20 0 GDADMM O=S(=O)(NCc1ccccc1OCC1CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738345941 598877696 /nfs/dbraw/zinc/87/76/96/598877696.db2.gz SKWGHIYHFXCRED-UHFFFAOYSA-N -1 1 386.437 1.529 20 0 GDADMM O=S(=O)(NCc1ccccc1OCC1CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738345941 598877698 /nfs/dbraw/zinc/87/76/98/598877698.db2.gz SKWGHIYHFXCRED-UHFFFAOYSA-N -1 1 386.437 1.529 20 0 GDADMM CCCNC(=O)CNC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000736483328 598889367 /nfs/dbraw/zinc/88/93/67/598889367.db2.gz IYQKXDSBNQXZRV-UHFFFAOYSA-N -1 1 399.480 1.921 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC[C@@](C)(O)c2cccs2)cc1-c1nn[n-]n1 ZINC000737188103 598892136 /nfs/dbraw/zinc/89/21/36/598892136.db2.gz YUJCRRAGFUGOQN-OAHLLOKOSA-N -1 1 392.466 1.388 20 0 GDADMM CN(C)C(=O)CCNC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000736746456 598906504 /nfs/dbraw/zinc/90/65/04/598906504.db2.gz IQWUCFGDIQVDNO-UHFFFAOYSA-N -1 1 399.480 1.873 20 0 GDADMM CNC(=O)CCNC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000736872883 598906977 /nfs/dbraw/zinc/90/69/77/598906977.db2.gz COJITLNNNNSGLZ-UHFFFAOYSA-N -1 1 385.453 1.531 20 0 GDADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc(F)c(C(N)=O)c1 ZINC000737301136 598930393 /nfs/dbraw/zinc/93/03/93/598930393.db2.gz IQYVUPAUJKTSHJ-UHFFFAOYSA-N -1 1 376.373 1.214 20 0 GDADMM C[C@H](Nc1c2ccccc2nnc1-c1nnn[n-]1)c1cccc(S(N)(=O)=O)c1 ZINC000736140402 598933854 /nfs/dbraw/zinc/93/38/54/598933854.db2.gz VTCFRNMUWRFKBX-JTQLQIEISA-N -1 1 396.436 1.630 20 0 GDADMM C[C@H](Nc1c2ccccc2nnc1-c1nn[n-]n1)c1cccc(S(N)(=O)=O)c1 ZINC000736140402 598933856 /nfs/dbraw/zinc/93/38/56/598933856.db2.gz VTCFRNMUWRFKBX-JTQLQIEISA-N -1 1 396.436 1.630 20 0 GDADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2C ZINC000737301032 598931869 /nfs/dbraw/zinc/93/18/69/598931869.db2.gz GYRNUNMNBSDYRN-UHFFFAOYSA-N -1 1 398.448 1.885 20 0 GDADMM COc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)cc1OC ZINC000737107046 598946585 /nfs/dbraw/zinc/94/65/85/598946585.db2.gz ZMEUZKXBJSXMML-UHFFFAOYSA-N -1 1 375.410 1.993 20 0 GDADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1cccc(-n2cnnn2)c1C ZINC000737224786 598947172 /nfs/dbraw/zinc/94/71/72/598947172.db2.gz GJEUZZXDIPVXLE-UHFFFAOYSA-N -1 1 397.424 1.260 20 0 GDADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1cccc(-c2nncn2C)c1 ZINC000737224810 598947188 /nfs/dbraw/zinc/94/71/88/598947188.db2.gz HDDPFDNPHJKBAU-UHFFFAOYSA-N -1 1 396.436 1.771 20 0 GDADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc(Cl)c(C(N)=O)c1 ZINC000737226053 598947723 /nfs/dbraw/zinc/94/77/23/598947723.db2.gz ZQTLZVOONKHVRS-UHFFFAOYSA-N -1 1 392.828 1.728 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000736295167 598949735 /nfs/dbraw/zinc/94/97/35/598949735.db2.gz ZGTVIWOYXLNUSZ-AAEUAGOBSA-N -1 1 387.444 1.637 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000736295167 598949736 /nfs/dbraw/zinc/94/97/36/598949736.db2.gz ZGTVIWOYXLNUSZ-AAEUAGOBSA-N -1 1 387.444 1.637 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2C)ccc1F ZINC000821667791 607254707 /nfs/dbraw/zinc/25/47/07/607254707.db2.gz AASPAHKCGQOTSW-UHFFFAOYSA-N -1 1 391.384 1.902 20 0 GDADMM Cc1nc(CN2CCN(c3c4ccccc4nnc3-c3nnn[n-]3)CC2)oc1C ZINC000737477273 598965848 /nfs/dbraw/zinc/96/58/48/598965848.db2.gz MAFGVAFJMSAJME-UHFFFAOYSA-N -1 1 391.439 1.737 20 0 GDADMM Cc1nc(CN2CCN(c3c4ccccc4nnc3-c3nn[n-]n3)CC2)oc1C ZINC000737477273 598965849 /nfs/dbraw/zinc/96/58/49/598965849.db2.gz MAFGVAFJMSAJME-UHFFFAOYSA-N -1 1 391.439 1.737 20 0 GDADMM Cn1ccnc1[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc(F)c1 ZINC000737616187 598985275 /nfs/dbraw/zinc/98/52/75/598985275.db2.gz ONMWFVHPGOKGRZ-HNNXBMFYSA-N -1 1 378.371 1.654 20 0 GDADMM Cn1ccnc1[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc(F)c1 ZINC000737616187 598985277 /nfs/dbraw/zinc/98/52/77/598985277.db2.gz ONMWFVHPGOKGRZ-HNNXBMFYSA-N -1 1 378.371 1.654 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000736293771 599005907 /nfs/dbraw/zinc/00/59/07/599005907.db2.gz VCXRKABANJFZHL-VXGBXAGGSA-N -1 1 387.444 1.732 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000736293771 599005909 /nfs/dbraw/zinc/00/59/09/599005909.db2.gz VCXRKABANJFZHL-VXGBXAGGSA-N -1 1 387.444 1.732 20 0 GDADMM O=S(=O)(N[C@H]1C[C@@H]1c1c(F)cccc1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000738330673 599007480 /nfs/dbraw/zinc/00/74/80/599007480.db2.gz RMTHSRJKDQJEKK-ZANVPECISA-N -1 1 394.819 1.889 20 0 GDADMM O=S(=O)(N[C@H]1C[C@@H]1c1c(F)cccc1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000738330673 599007482 /nfs/dbraw/zinc/00/74/82/599007482.db2.gz RMTHSRJKDQJEKK-ZANVPECISA-N -1 1 394.819 1.889 20 0 GDADMM CCO[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C12CCCC2 ZINC000736611128 599008924 /nfs/dbraw/zinc/00/89/24/599008924.db2.gz IUCGCGJMOBGAIP-CABCVRRESA-N -1 1 392.485 1.620 20 0 GDADMM CCO[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C12CCCC2 ZINC000736611128 599008926 /nfs/dbraw/zinc/00/89/26/599008926.db2.gz IUCGCGJMOBGAIP-CABCVRRESA-N -1 1 392.485 1.620 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000738258138 599021654 /nfs/dbraw/zinc/02/16/54/599021654.db2.gz FKPDZJREBBKVHX-CQSZACIVSA-N -1 1 393.455 1.599 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000738258138 599021655 /nfs/dbraw/zinc/02/16/55/599021655.db2.gz FKPDZJREBBKVHX-CQSZACIVSA-N -1 1 393.455 1.599 20 0 GDADMM CN(CCOc1ccccc1F)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000736804324 599033403 /nfs/dbraw/zinc/03/34/03/599033403.db2.gz KOHNNNHCSGTDLI-UHFFFAOYSA-N -1 1 395.391 1.844 20 0 GDADMM CN(CCOc1ccccc1F)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000736804324 599033405 /nfs/dbraw/zinc/03/34/05/599033405.db2.gz KOHNNNHCSGTDLI-UHFFFAOYSA-N -1 1 395.391 1.844 20 0 GDADMM Cc1oc(NC(=O)COC(=O)CN2CCc3ccccc32)c(-c2nn[n-]n2)c1C ZINC000737552327 599056874 /nfs/dbraw/zinc/05/68/74/599056874.db2.gz NIUBPFATNBQJTE-UHFFFAOYSA-N -1 1 396.407 1.621 20 0 GDADMM CC(C)[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000736223154 599140308 /nfs/dbraw/zinc/14/03/08/599140308.db2.gz HXEWOYMVCIHCIN-XJKCOSOUSA-N -1 1 386.456 1.948 20 0 GDADMM CC(C)[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000736223154 599140310 /nfs/dbraw/zinc/14/03/10/599140310.db2.gz HXEWOYMVCIHCIN-XJKCOSOUSA-N -1 1 386.456 1.948 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)NC(=O)Nc1ccccc1 ZINC000736156665 599140413 /nfs/dbraw/zinc/14/04/13/599140413.db2.gz CFJQILPLPCNCKA-JTQLQIEISA-N -1 1 381.352 1.155 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)NC(=O)Nc1ccccc1 ZINC000736156665 599140415 /nfs/dbraw/zinc/14/04/15/599140415.db2.gz CFJQILPLPCNCKA-JTQLQIEISA-N -1 1 381.352 1.155 20 0 GDADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(C[C@@H](O)c2cccc(Cl)c2)c1 ZINC000821666886 599301547 /nfs/dbraw/zinc/30/15/47/599301547.db2.gz KYYAQYMOPDCZSZ-CYBMUJFWSA-N -1 1 375.772 1.202 20 0 GDADMM COc1ccnc(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)c1 ZINC000737155675 599166621 /nfs/dbraw/zinc/16/66/21/599166621.db2.gz MGEUCABWYHMVPO-UHFFFAOYSA-N -1 1 396.411 1.098 20 0 GDADMM CN(CC(N)=O)C(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000736789064 599199906 /nfs/dbraw/zinc/19/99/06/599199906.db2.gz SYJXLPCOFAIVSJ-UHFFFAOYSA-N -1 1 386.799 1.870 20 0 GDADMM Cc1ccc(N2CCC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)nc3)C2=O)cc1 ZINC000737350249 599231955 /nfs/dbraw/zinc/23/19/55/599231955.db2.gz DTEFKRIZJBLANK-INIZCTEOSA-N -1 1 377.408 1.496 20 0 GDADMM Cc1ccc(N2CCC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)nc3)C2=O)cc1 ZINC000737350249 599231956 /nfs/dbraw/zinc/23/19/56/599231956.db2.gz DTEFKRIZJBLANK-INIZCTEOSA-N -1 1 377.408 1.496 20 0 GDADMM CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2CC(=O)[O-])cc1F ZINC000818654140 597042119 /nfs/dbraw/zinc/04/21/19/597042119.db2.gz NZLIHASNISJKLE-UHFFFAOYSA-N -1 1 387.410 1.657 20 0 GDADMM Cc1ccc(S(=O)(=O)N(CCN(C)C)CC(=O)[O-])cc1Br ZINC000535497816 597130005 /nfs/dbraw/zinc/13/00/05/597130005.db2.gz KGWNYVBBDKMQAU-UHFFFAOYSA-N -1 1 379.276 1.394 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000822542535 607298509 /nfs/dbraw/zinc/29/85/09/607298509.db2.gz YWYRYVDSBNWEQN-PBHICJAKSA-N -1 1 390.403 1.947 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000822542535 607298510 /nfs/dbraw/zinc/29/85/10/607298510.db2.gz YWYRYVDSBNWEQN-PBHICJAKSA-N -1 1 390.403 1.947 20 0 GDADMM CCc1cnc(CN(C(C)=O)[C@@H]2CCN(c3cccc(-c4nnn[n-]4)n3)C2)o1 ZINC000821496849 607304421 /nfs/dbraw/zinc/30/44/21/607304421.db2.gz KGXANSJBIWRYPT-CYBMUJFWSA-N -1 1 382.428 1.440 20 0 GDADMM CCc1cnc(CN(C(C)=O)[C@@H]2CCN(c3cccc(-c4nn[n-]n4)n3)C2)o1 ZINC000821496849 607304422 /nfs/dbraw/zinc/30/44/22/607304422.db2.gz KGXANSJBIWRYPT-CYBMUJFWSA-N -1 1 382.428 1.440 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1nc(C(F)(F)F)cs1 ZINC000820803696 607304591 /nfs/dbraw/zinc/30/45/91/607304591.db2.gz FKVJQTICYQPPDB-MRVPVSSYSA-N -1 1 397.390 1.847 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1nc(C(F)(F)F)cs1 ZINC000820803696 607304592 /nfs/dbraw/zinc/30/45/92/607304592.db2.gz FKVJQTICYQPPDB-MRVPVSSYSA-N -1 1 397.390 1.847 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(Nc2cccc(-c3cccs3)c2)n(C)c1=O ZINC000737597809 598246938 /nfs/dbraw/zinc/24/69/38/598246938.db2.gz VBLVUVYXGFWSHJ-UHFFFAOYSA-N -1 1 381.421 1.736 20 0 GDADMM O=S(=O)(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738343006 598262783 /nfs/dbraw/zinc/26/27/83/598262783.db2.gz OCVCQADOHSLXFY-BDAKNGLRSA-N -1 1 376.364 1.661 20 0 GDADMM O=S(=O)(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738343006 598262784 /nfs/dbraw/zinc/26/27/84/598262784.db2.gz OCVCQADOHSLXFY-BDAKNGLRSA-N -1 1 376.364 1.661 20 0 GDADMM O=S(=O)(NCCCOc1ccccc1F)c1ccc(-c2nnn[n-]2)nc1 ZINC000738337519 598266042 /nfs/dbraw/zinc/26/60/42/598266042.db2.gz DKLOLLLUIHTGNS-UHFFFAOYSA-N -1 1 378.389 1.148 20 0 GDADMM O=S(=O)(NCCCOc1ccccc1F)c1ccc(-c2nn[n-]n2)nc1 ZINC000738337519 598266043 /nfs/dbraw/zinc/26/60/43/598266043.db2.gz DKLOLLLUIHTGNS-UHFFFAOYSA-N -1 1 378.389 1.148 20 0 GDADMM Cc1ccn(CC(=O)N(C)Cc2ccc(Cl)s2)c(=O)c1-c1nn[n-]n1 ZINC000822370306 607349677 /nfs/dbraw/zinc/34/96/77/607349677.db2.gz VZSREGIHLDCWNV-UHFFFAOYSA-N -1 1 378.845 1.710 20 0 GDADMM CCOc1ccc(C(=O)N2CCC(Nc3nccnc3-c3nnn[n-]3)CC2)cc1 ZINC000736638467 598338301 /nfs/dbraw/zinc/33/83/01/598338301.db2.gz ZXNUPWOLGQWDTO-UHFFFAOYSA-N -1 1 394.439 1.772 20 0 GDADMM CCOc1ccc(C(=O)N2CCC(Nc3nccnc3-c3nn[n-]n3)CC2)cc1 ZINC000736638467 598338303 /nfs/dbraw/zinc/33/83/03/598338303.db2.gz ZXNUPWOLGQWDTO-UHFFFAOYSA-N -1 1 394.439 1.772 20 0 GDADMM FC(F)(F)c1cc(Cl)c2nnc(CNc3nccnc3-c3nnn[n-]3)n2c1 ZINC000737631495 598339314 /nfs/dbraw/zinc/33/93/14/598339314.db2.gz DZXOMOSFVHMZGJ-UHFFFAOYSA-N -1 1 396.724 1.984 20 0 GDADMM FC(F)(F)c1cc(Cl)c2nnc(CNc3nccnc3-c3nn[n-]n3)n2c1 ZINC000737631495 598339317 /nfs/dbraw/zinc/33/93/17/598339317.db2.gz DZXOMOSFVHMZGJ-UHFFFAOYSA-N -1 1 396.724 1.984 20 0 GDADMM CCc1nn(C[C@@H](O)COc2ccc(F)cc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705574 598374216 /nfs/dbraw/zinc/37/42/16/598374216.db2.gz KRHCZRHRJHSYCB-GFCCVEGCSA-N -1 1 388.403 1.127 20 0 GDADMM CCc1nn(CC(=O)Nc2ccc(Cl)cc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705777 598377937 /nfs/dbraw/zinc/37/79/37/598377937.db2.gz OVLXVOCJAZIGMP-UHFFFAOYSA-N -1 1 387.831 1.840 20 0 GDADMM CN(CCc1ccccn1)C(=O)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC000736805529 598458571 /nfs/dbraw/zinc/45/85/71/598458571.db2.gz HFWFALYQEBMGDR-UHFFFAOYSA-N -1 1 378.849 1.485 20 0 GDADMM CN(CCc1ccccn1)C(=O)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC000736805529 598458572 /nfs/dbraw/zinc/45/85/72/598458572.db2.gz HFWFALYQEBMGDR-UHFFFAOYSA-N -1 1 378.849 1.485 20 0 GDADMM CC(=O)N1CCC(COC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)CC1 ZINC000735467261 598510464 /nfs/dbraw/zinc/51/04/64/598510464.db2.gz ZXQXZYIURUCJAJ-UHFFFAOYSA-N -1 1 398.423 1.974 20 0 GDADMM CC(=O)N1CCC(COC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)CC1 ZINC000735467261 598510466 /nfs/dbraw/zinc/51/04/66/598510466.db2.gz ZXQXZYIURUCJAJ-UHFFFAOYSA-N -1 1 398.423 1.974 20 0 GDADMM C[C@H]1Oc2ccc([N-]S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)cc2NC1=O ZINC000736301219 598514303 /nfs/dbraw/zinc/51/43/03/598514303.db2.gz MRPKFYQMXKTSQB-SECBINFHSA-N -1 1 386.393 1.387 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC[C@H]2CCOc3ccccc32)cc1-c1nn[n-]n1 ZINC000737187808 598542249 /nfs/dbraw/zinc/54/22/49/598542249.db2.gz VPJWJSXJHAPBMA-SNVBAGLBSA-N -1 1 398.448 1.985 20 0 GDADMM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[nH]n3)c2)c1 ZINC000736753102 598593104 /nfs/dbraw/zinc/59/31/04/598593104.db2.gz FDZGPHFQIFVWAD-UHFFFAOYSA-N -1 1 390.400 1.508 20 0 GDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000737487299 598599137 /nfs/dbraw/zinc/59/91/37/598599137.db2.gz HLGWJQQBDDMQED-UHFFFAOYSA-N -1 1 396.386 1.942 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OCc1cscn1 ZINC000737487491 598617587 /nfs/dbraw/zinc/61/75/87/598617587.db2.gz KKYQUDIVUCYIPT-UHFFFAOYSA-N -1 1 384.425 1.659 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OCc1cscn1 ZINC000737487491 598617590 /nfs/dbraw/zinc/61/75/90/598617590.db2.gz KKYQUDIVUCYIPT-UHFFFAOYSA-N -1 1 384.425 1.659 20 0 GDADMM CCc1nn(CC(=O)N(C)Cc2cccs2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706192 598642119 /nfs/dbraw/zinc/64/21/19/598642119.db2.gz VJHCOPWOHQWERQ-UHFFFAOYSA-N -1 1 387.469 1.268 20 0 GDADMM CCc1nn(Cc2noc(Cc3ccccc3)n2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706367 598642179 /nfs/dbraw/zinc/64/21/79/598642179.db2.gz KEIQPTNQEOQXBY-UHFFFAOYSA-N -1 1 392.423 1.570 20 0 GDADMM Cc1cc(N2CCCC2)ccc1NC(=O)Cn1cccc(-c2nn[n-]n2)c1=O ZINC000737270230 598676003 /nfs/dbraw/zinc/67/60/03/598676003.db2.gz CJSHEBLOYBQIJR-UHFFFAOYSA-N -1 1 379.424 1.576 20 0 GDADMM COc1ccc(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c(C=O)c1 ZINC000737110974 598686981 /nfs/dbraw/zinc/68/69/81/598686981.db2.gz GAMYLMHOXNPVKE-UHFFFAOYSA-N -1 1 378.341 1.595 20 0 GDADMM CCOC(=O)CCN(C1CC1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736592107 598693345 /nfs/dbraw/zinc/69/33/45/598693345.db2.gz MKAOHNSKQKXDDJ-UHFFFAOYSA-N -1 1 383.405 1.112 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)OCCCS(C)(=O)=O)c1-c1nnn[n-]1 ZINC000737189119 598706145 /nfs/dbraw/zinc/70/61/45/598706145.db2.gz IWMBXCKFCXDCCO-UHFFFAOYSA-N -1 1 397.482 1.453 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)OCCCS(C)(=O)=O)c1-c1nn[n-]n1 ZINC000737189119 598706147 /nfs/dbraw/zinc/70/61/47/598706147.db2.gz IWMBXCKFCXDCCO-UHFFFAOYSA-N -1 1 397.482 1.453 20 0 GDADMM O=C(COC(=O)CSc1ccc(-c2nn[nH]n2)cc1)[N-]C(=O)c1ccccc1 ZINC000737904037 598715947 /nfs/dbraw/zinc/71/59/47/598715947.db2.gz IGEJZWGULIJLDZ-UHFFFAOYSA-N -1 1 397.416 1.459 20 0 GDADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc(Br)cn2)c1 ZINC000736941103 598751950 /nfs/dbraw/zinc/75/19/50/598751950.db2.gz OYMPDYWHGHOJOH-UHFFFAOYSA-N -1 1 391.185 1.021 20 0 GDADMM CCc1nc([C@H]2CCCN2S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)no1 ZINC000736697667 599293534 /nfs/dbraw/zinc/29/35/34/599293534.db2.gz AFYWWRXBUSJLAB-GFCCVEGCSA-N -1 1 393.404 1.477 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CCC[C@H]2c2noc(C)n2)cc1-c1nn[n-]n1 ZINC000737187391 599297189 /nfs/dbraw/zinc/29/71/89/599297189.db2.gz RJZHZSPDWFJYJY-JTQLQIEISA-N -1 1 388.413 1.358 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC(OCC2CC2)CC1 ZINC000823605907 599327691 /nfs/dbraw/zinc/32/76/91/599327691.db2.gz CTCFBZGOEFIFNM-UHFFFAOYSA-N -1 1 381.433 1.586 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC(OCC2CC2)CC1 ZINC000823605907 599327694 /nfs/dbraw/zinc/32/76/94/599327694.db2.gz CTCFBZGOEFIFNM-UHFFFAOYSA-N -1 1 381.433 1.586 20 0 GDADMM Cc1nn(Cc2nc(CCc3ccccc3)no2)c(=O)c(-c2nn[n-]n2)c1C ZINC000822505351 599342773 /nfs/dbraw/zinc/34/27/73/599342773.db2.gz JRRCDSLCNQYZOJ-UHFFFAOYSA-N -1 1 378.396 1.257 20 0 GDADMM CO[C@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(Cl)cc1 ZINC000821676644 599356143 /nfs/dbraw/zinc/35/61/43/599356143.db2.gz CVVNPDPFSLMHMX-CQSZACIVSA-N -1 1 394.844 1.581 20 0 GDADMM CO[C@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(Cl)cc1 ZINC000821676644 599356145 /nfs/dbraw/zinc/35/61/45/599356145.db2.gz CVVNPDPFSLMHMX-CQSZACIVSA-N -1 1 394.844 1.581 20 0 GDADMM O=S(=O)([N-]Cc1cc(-c2nn[nH]n2)ccc1F)c1ccc(F)c(F)c1F ZINC000823578680 599366660 /nfs/dbraw/zinc/36/66/60/599366660.db2.gz SSTYDZUFKOCNLS-UHFFFAOYSA-N -1 1 387.318 1.902 20 0 GDADMM CC[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1c(C)nn(C)c1C ZINC000820925365 599369018 /nfs/dbraw/zinc/36/90/18/599369018.db2.gz HVYMZVHZLVWBRU-LBPRGKRZSA-N -1 1 376.446 1.042 20 0 GDADMM CC[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1c(C)nn(C)c1C ZINC000820925365 599369022 /nfs/dbraw/zinc/36/90/22/599369022.db2.gz HVYMZVHZLVWBRU-LBPRGKRZSA-N -1 1 376.446 1.042 20 0 GDADMM CN(c1ccc(Br)nc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821618961 599370322 /nfs/dbraw/zinc/37/03/22/599370322.db2.gz CWABVXRISZODLD-UHFFFAOYSA-N -1 1 396.230 1.244 20 0 GDADMM CN(c1ccc(Br)nc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821618961 599370324 /nfs/dbraw/zinc/37/03/24/599370324.db2.gz CWABVXRISZODLD-UHFFFAOYSA-N -1 1 396.230 1.244 20 0 GDADMM NC(=O)[C@@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737745359 599371181 /nfs/dbraw/zinc/37/11/81/599371181.db2.gz XDBNAINOSGWCFK-JTQLQIEISA-N -1 1 397.342 1.700 20 0 GDADMM O=C(Cc1ccc(Cl)cc1)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000737956003 599412558 /nfs/dbraw/zinc/41/25/58/599412558.db2.gz RUMGENPXPCVXRP-UHFFFAOYSA-N -1 1 383.843 1.806 20 0 GDADMM O=C(Cc1ccc(Cl)cc1)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000737956003 599412561 /nfs/dbraw/zinc/41/25/61/599412561.db2.gz RUMGENPXPCVXRP-UHFFFAOYSA-N -1 1 383.843 1.806 20 0 GDADMM CN(c1cccc(-c2nnn[n-]2)n1)[C@@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000736843119 599429263 /nfs/dbraw/zinc/42/92/63/599429263.db2.gz ZSBXORINORTTGI-CYBMUJFWSA-N -1 1 381.444 1.623 20 0 GDADMM CN(c1cccc(-c2nn[n-]n2)n1)[C@@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000736843119 599429265 /nfs/dbraw/zinc/42/92/65/599429265.db2.gz ZSBXORINORTTGI-CYBMUJFWSA-N -1 1 381.444 1.623 20 0 GDADMM C[C@@H]1[C@@H](C)[S@](=O)CCN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736224355 599480726 /nfs/dbraw/zinc/48/07/26/599480726.db2.gz MJCOVYLGQFUSGX-DNKNOMGSSA-N -1 1 389.890 1.050 20 0 GDADMM C[C@@H]1[C@@H](C)[S@](=O)CCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736224355 599480728 /nfs/dbraw/zinc/48/07/28/599480728.db2.gz MJCOVYLGQFUSGX-DNKNOMGSSA-N -1 1 389.890 1.050 20 0 GDADMM CCOC(=O)C1=C(C)N(CCOC)C(=O)N[C@H]1c1ccc(-c2nnn[n-]2)o1 ZINC000821321472 599493007 /nfs/dbraw/zinc/49/30/07/599493007.db2.gz XVVKUQZUXBEXSK-ZDUSSCGKSA-N -1 1 376.373 1.010 20 0 GDADMM CCOC(=O)C1=C(C)N(CCOC)C(=O)N[C@H]1c1ccc(-c2nn[n-]n2)o1 ZINC000821321472 599493008 /nfs/dbraw/zinc/49/30/08/599493008.db2.gz XVVKUQZUXBEXSK-ZDUSSCGKSA-N -1 1 376.373 1.010 20 0 GDADMM CCOC(=O)C1C(c2ccccc2)=NC(=S)N[C@@H]1c1ccc(-c2nnn[n-]2)o1 ZINC000821319538 599493194 /nfs/dbraw/zinc/49/31/94/599493194.db2.gz DMLUBRPGNVRGAO-OAHLLOKOSA-N -1 1 396.432 1.953 20 0 GDADMM CCOC(=O)C1C(c2ccccc2)=NC(=S)N[C@@H]1c1ccc(-c2nn[n-]n2)o1 ZINC000821319538 599493196 /nfs/dbraw/zinc/49/31/96/599493196.db2.gz DMLUBRPGNVRGAO-OAHLLOKOSA-N -1 1 396.432 1.953 20 0 GDADMM CCCC[C@@H](C(=O)OC)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000821040882 599635999 /nfs/dbraw/zinc/63/59/99/599635999.db2.gz ULVHTUIFIQRASZ-ZDUSSCGKSA-N -1 1 389.460 1.586 20 0 GDADMM COc1ccnc(N2CCN(S(=O)(=O)Cc3ccc(C(=O)[O-])cc3)CC2)c1 ZINC000738142572 599801311 /nfs/dbraw/zinc/80/13/11/599801311.db2.gz AKNSJFKCKLYBOP-UHFFFAOYSA-N -1 1 391.449 1.440 20 0 GDADMM COc1cc(C(=O)[O-])ccc1OC[C@H](O)CN1CCCC[C@H]1C1OCCO1 ZINC000737863258 599813855 /nfs/dbraw/zinc/81/38/55/599813855.db2.gz MZNGRWFEQTUAHF-CABCVRRESA-N -1 1 381.425 1.361 20 0 GDADMM C[C@H](C(=O)NCC(=O)[O-])N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000736207964 599851650 /nfs/dbraw/zinc/85/16/50/599851650.db2.gz LICOODKXZHYEQB-YPMHNXCESA-N -1 1 376.388 1.644 20 0 GDADMM O=C([O-])C1CCN(C(=O)CN2CCC([C@H](O)c3ccc(F)cc3)CC2)CC1 ZINC000738545390 599867498 /nfs/dbraw/zinc/86/74/98/599867498.db2.gz ONGTUBKXGCBWHS-LJQANCHMSA-N -1 1 378.444 1.894 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@H](N(C(=O)c2ccc(-c3nnn[n-]3)nc2)C2CC2)C1 ZINC000819933245 607406485 /nfs/dbraw/zinc/40/64/85/607406485.db2.gz KYBRIVXHWSFVKS-AWEZNQCLSA-N -1 1 399.455 1.876 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@H](N(C(=O)c2ccc(-c3nn[n-]n3)nc2)C2CC2)C1 ZINC000819933245 607406486 /nfs/dbraw/zinc/40/64/86/607406486.db2.gz KYBRIVXHWSFVKS-AWEZNQCLSA-N -1 1 399.455 1.876 20 0 GDADMM C[NH+]1CCC(CCNC(=O)c2ccc(-n3[n-]c(CC(=O)[O-])cc3=O)cc2)CC1 ZINC000737508116 599928803 /nfs/dbraw/zinc/92/88/03/599928803.db2.gz GVDBIOKBWZPFCV-UHFFFAOYSA-N -1 1 386.452 1.254 20 0 GDADMM Cc1cccc(O[C@H]2CCCC[C@H]2NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000822328497 607410120 /nfs/dbraw/zinc/41/01/20/607410120.db2.gz RENYVVUYIARHOK-CABCVRRESA-N -1 1 382.428 1.273 20 0 GDADMM Cc1cccc(O[C@@H]2CCCC[C@H]2NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000822328501 607410002 /nfs/dbraw/zinc/41/00/02/607410002.db2.gz RENYVVUYIARHOK-HUUCEWRRSA-N -1 1 382.428 1.273 20 0 GDADMM CCOc1cc(C(=O)N[C@@H](c2nn[nH]n2)c2ccccc2)ccc1OCC(=O)[O-] ZINC000737186185 599988983 /nfs/dbraw/zinc/98/89/83/599988983.db2.gz DGBALQNSNPISBJ-QGZVFWFLSA-N -1 1 397.391 1.581 20 0 GDADMM Cc1onc2c1c(C(=O)[O-])nn(CN1CCN(CCc3ccccc3)CC1)c2=O ZINC000738986502 600032724 /nfs/dbraw/zinc/03/27/24/600032724.db2.gz IMFMYWONWPWJNY-UHFFFAOYSA-N -1 1 397.435 1.209 20 0 GDADMM COc1ccc([C@@H](CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)N2CCCCC2)cc1 ZINC000737958364 600032918 /nfs/dbraw/zinc/03/29/18/600032918.db2.gz YOLYSHYCEGGUFP-QZTJIDSGSA-N -1 1 391.468 1.717 20 0 GDADMM COc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)[O-])s2)cc1NC(C)=O ZINC000738069543 600054474 /nfs/dbraw/zinc/05/44/74/600054474.db2.gz JDAHRFYITOCQNK-UHFFFAOYSA-N -1 1 385.423 1.918 20 0 GDADMM CN1CCN(C)[C@@H](CNC(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C1 ZINC000737525778 600175513 /nfs/dbraw/zinc/17/55/13/600175513.db2.gz HKRGJFFVXIFEAQ-HNNXBMFYSA-N -1 1 375.473 1.352 20 0 GDADMM CCN(CCNS(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1)C1CC1 ZINC000737105392 600229431 /nfs/dbraw/zinc/22/94/31/600229431.db2.gz ZHYAESCDNDJQBR-UHFFFAOYSA-N -1 1 391.287 1.910 20 0 GDADMM Cc1ccc([C@H](OC[C@@H](O)CN2C[C@H](O)C[C@H]2C(=O)[O-])c2ccccc2)cc1 ZINC000738572896 600230674 /nfs/dbraw/zinc/23/06/74/600230674.db2.gz HSHHJRALJHTSQE-IVAOSVALSA-N -1 1 385.460 1.982 20 0 GDADMM NC(=O)CCN(C(=O)CN1CCC2(C[C@@H]2C(=O)[O-])CC1)c1ccc(F)cc1 ZINC000739156569 600296387 /nfs/dbraw/zinc/29/63/87/600296387.db2.gz FVIODMPDWVQSBR-OAHLLOKOSA-N -1 1 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607504405 /nfs/dbraw/zinc/50/44/05/607504405.db2.gz PRJGPZRCMKWEDE-NSHDSACASA-N -1 1 384.444 1.096 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCCOC[C@@H]1C ZINC000822459284 607504408 /nfs/dbraw/zinc/50/44/08/607504408.db2.gz PRJGPZRCMKWEDE-NSHDSACASA-N -1 1 384.444 1.096 20 0 GDADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000827356100 601427725 /nfs/dbraw/zinc/42/77/25/601427725.db2.gz OSVAICGPFCBVLN-LIRRHRJNSA-N -1 1 383.489 1.641 20 0 GDADMM Cc1nn(C)c(C)c1-c1cc(C(=O)N(CCC(=O)[O-])Cc2ccncc2)n[nH]1 ZINC000833012803 601513991 /nfs/dbraw/zinc/51/39/91/601513991.db2.gz GSVIRBOTFGTKDI-UHFFFAOYSA-N -1 1 382.424 1.939 20 0 GDADMM CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN2C[C@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000829684079 601515879 /nfs/dbraw/zinc/51/58/79/601515879.db2.gz NEZLNJBDFQBOHK-CJNGLKHVSA-N -1 1 397.497 1.308 20 0 GDADMM CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)Nc2csnc2C(=O)[O-])c1 ZINC000832716541 601602925 /nfs/dbraw/zinc/60/29/25/601602925.db2.gz 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CC(C)[C@@H](OC(=O)[C@@H]1CCCc2[nH]ncc21)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000826717305 602016666 /nfs/dbraw/zinc/01/66/66/602016666.db2.gz PSJYWABMRYVONP-CZUORRHYSA-N -1 1 377.441 1.721 20 0 GDADMM COc1cccc([C@@H](CNC(=O)NCC2CCN(C(=O)[O-])CC2)N(C)C)c1 ZINC000739946402 602061392 /nfs/dbraw/zinc/06/13/92/602061392.db2.gz UNBWPYNMKAXTNO-QGZVFWFLSA-N -1 1 378.473 1.987 20 0 GDADMM CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1)c1cccs1 ZINC000739602199 602084147 /nfs/dbraw/zinc/08/41/47/602084147.db2.gz KZJNYAJEPBCPNI-NSHDSACASA-N -1 1 377.426 1.591 20 0 GDADMM COc1ccc(-c2noc(=O)n2Cc2ccnc(-c3nnn[n-]3)c2)cc1OC ZINC000826186593 607545418 /nfs/dbraw/zinc/54/54/18/607545418.db2.gz AWOJEYSYVSTCOM-UHFFFAOYSA-N -1 1 381.352 1.144 20 0 GDADMM COc1ccc(-c2noc(=O)n2Cc2ccnc(-c3nn[n-]n3)c2)cc1OC ZINC000826186593 607545419 /nfs/dbraw/zinc/54/54/19/607545419.db2.gz AWOJEYSYVSTCOM-UHFFFAOYSA-N -1 1 381.352 1.144 20 0 GDADMM O=S(=O)(c1cccc(NCc2ccnc(-c3nnn[n-]3)c2)c1)N1CCCC1 ZINC000826496199 607546477 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C[C@@H](NC(=O)N1CCC(CN2CCOCC2)CC1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738971833 602177641 /nfs/dbraw/zinc/17/76/41/602177641.db2.gz VZPBTGGFJQJVLQ-NVXWUHKLSA-N -1 1 382.505 1.519 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CC[C@H]([C@H]2CCOC2)C1 ZINC000826494844 607552442 /nfs/dbraw/zinc/55/24/42/607552442.db2.gz RJOYNHKRMRTMRJ-QWRGUYRKSA-N -1 1 383.861 1.567 20 0 GDADMM COc1ccccc1NS(=O)(=O)c1cccc(C(=O)OCCNC(=O)[O-])c1 ZINC000738135959 602220126 /nfs/dbraw/zinc/22/01/26/602220126.db2.gz JRAFCGIODHRHMG-UHFFFAOYSA-N -1 1 394.405 1.920 20 0 GDADMM CCN(CC)[C@H]1CCN(C(=O)Nc2cc(C(=O)[O-])cc(S(C)(=O)=O)c2)C1 ZINC000829666466 602221081 /nfs/dbraw/zinc/22/10/81/602221081.db2.gz IKLQUGOSWNCHGA-AWEZNQCLSA-N -1 1 383.470 1.736 20 0 GDADMM C[C@@]1(C(=O)[O-])CCN(CC(=O)Nc2cc(-n3nnnc3C3CC3)ccc2F)C1 ZINC000828024499 602222880 /nfs/dbraw/zinc/22/28/80/602222880.db2.gz QNUMLKIJMMKXHS-GOSISDBHSA-N -1 1 388.403 1.414 20 0 GDADMM CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000830951381 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BTPPEYYJOKHTDZ-QGZVFWFLSA-N -1 1 375.473 1.831 20 0 GDADMM CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)N[C@@H]3CCN(C(=O)[O-])C3)c2C1 ZINC000738767224 602647262 /nfs/dbraw/zinc/64/72/62/602647262.db2.gz ONKRZVWWKVKNAZ-UKRRQHHQSA-N -1 1 388.468 1.854 20 0 GDADMM Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNCCCN(C)C(=O)[O-] ZINC000740255571 602648835 /nfs/dbraw/zinc/64/88/35/602648835.db2.gz ZFDWDATVNBIPBN-LLVKDONJSA-N -1 1 378.882 1.294 20 0 GDADMM CCC(CC)(CNC(=O)[O-])NC(=O)Cc1c(C)nc(-c2ncccn2)[nH]c1=O ZINC000739250088 602713817 /nfs/dbraw/zinc/71/38/17/602713817.db2.gz QNWKYAPMBWSGBL-UHFFFAOYSA-N -1 1 388.428 1.433 20 0 GDADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N[C@](C)(CNC(=O)[O-])C1CC1 ZINC000740028023 602713940 /nfs/dbraw/zinc/71/39/40/602713940.db2.gz BDZPRXHUVXBOGL-GOSISDBHSA-N -1 1 386.412 1.043 20 0 GDADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N[C@H](CNC(=O)[O-])CC(C)C ZINC000740028481 602713943 /nfs/dbraw/zinc/71/39/43/602713943.db2.gz RTCQPFUOVSCZBL-LBPRGKRZSA-N -1 1 388.428 1.289 20 0 GDADMM O=C([O-])N1CC[C@@H](CCNC(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)C1 ZINC000740424930 602719306 /nfs/dbraw/zinc/71/93/06/602719306.db2.gz BHIJRJYMBUPYCV-LLVKDONJSA-N -1 1 376.392 1.800 20 0 GDADMM O=C([O-])N1CC[C@@H](CCNC(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)C1 ZINC000740424930 602719308 /nfs/dbraw/zinc/71/93/08/602719308.db2.gz BHIJRJYMBUPYCV-LLVKDONJSA-N -1 1 376.392 1.800 20 0 GDADMM C[C@H](c1nc(-c2cccnc2)no1)N1CCC[C@H](C(=O)NCCNC(=O)[O-])C1 ZINC000739061528 602818116 /nfs/dbraw/zinc/81/81/16/602818116.db2.gz VZIZMIUVZDBVAJ-OCCSQVGLSA-N -1 1 388.428 1.288 20 0 GDADMM O=C([O-])N1CCOC[C@@H]1C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000740402496 602829764 /nfs/dbraw/zinc/82/97/64/602829764.db2.gz YMXTZQRTJJWCMM-MRXNPFEDSA-N -1 1 381.860 1.799 20 0 GDADMM CC(C)[C@@H](CNC(=O)N[C@H](CN1CCN(C)CC1)c1ccccc1)NC(=O)[O-] ZINC000738786565 602833894 /nfs/dbraw/zinc/83/38/94/602833894.db2.gz KYVBTUNBDFCWLL-QZTJIDSGSA-N -1 1 391.516 1.567 20 0 GDADMM Cc1cccc(N2CCN(CCCNC(=O)[C@@H]3COCCN3C(=O)[O-])CC2)c1 ZINC000740172194 602843851 /nfs/dbraw/zinc/84/38/51/602843851.db2.gz ZNWLUFCGPWGQIZ-SFHVURJKSA-N -1 1 390.484 1.002 20 0 GDADMM CCOc1cccc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000825649651 607590046 /nfs/dbraw/zinc/59/00/46/607590046.db2.gz UJIXZNWKMNXNEM-UHFFFAOYSA-N -1 1 377.401 1.883 20 0 GDADMM CCOc1cccc(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000825649651 607590047 /nfs/dbraw/zinc/59/00/47/607590047.db2.gz UJIXZNWKMNXNEM-UHFFFAOYSA-N -1 1 377.401 1.883 20 0 GDADMM CN(CCN1CCN(C(=O)[O-])CC1)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000739685799 602873380 /nfs/dbraw/zinc/87/33/80/602873380.db2.gz ZILOVHLZKRAKME-UHFFFAOYSA-N -1 1 379.848 1.075 20 0 GDADMM C[C@H](COc1ccccc1)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824449283 607591591 /nfs/dbraw/zinc/59/15/91/607591591.db2.gz NGGTVHWJSQGRFX-LLVKDONJSA-N -1 1 377.401 1.752 20 0 GDADMM C[C@H](COc1cccc(F)c1)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824447670 607593478 /nfs/dbraw/zinc/59/34/78/607593478.db2.gz ALYCKPUMJVJCEJ-SNVBAGLBSA-N -1 1 395.391 1.891 20 0 GDADMM CCOc1ccccc1C(=O)NCC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000825653575 607595028 /nfs/dbraw/zinc/59/50/28/607595028.db2.gz FJWPCYMHDKMQTN-UHFFFAOYSA-N -1 1 382.380 1.134 20 0 GDADMM CCOc1ccccc1C(=O)NCC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000825653575 607595030 /nfs/dbraw/zinc/59/50/30/607595030.db2.gz FJWPCYMHDKMQTN-UHFFFAOYSA-N -1 1 382.380 1.134 20 0 GDADMM CCOC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825485601 607595311 /nfs/dbraw/zinc/59/53/11/607595311.db2.gz HOZWMABPHGNRPD-SSDOTTSWSA-N -1 1 393.347 1.115 20 0 GDADMM O=C([O-])Nc1ccc(OC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)cc1 ZINC000738670428 602959990 /nfs/dbraw/zinc/95/99/90/602959990.db2.gz RNHFZPGTWOLIII-UHFFFAOYSA-N -1 1 381.344 1.953 20 0 GDADMM Cc1c(C(=O)N2C[C@@H]3CCCCN3C[C@@H]2C)nnn1C1CCN(C(=O)[O-])CC1 ZINC000740030487 602982466 /nfs/dbraw/zinc/98/24/66/602982466.db2.gz ADFGDPDQFPUDEE-BBRMVZONSA-N -1 1 390.488 1.600 20 0 GDADMM CCOc1ccc(C(=O)NCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000825631860 607598540 /nfs/dbraw/zinc/59/85/40/607598540.db2.gz HSSNJZFYCHQQPD-UHFFFAOYSA-N -1 1 382.380 1.134 20 0 GDADMM CCOc1ccc(C(=O)NCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000825631860 607598541 /nfs/dbraw/zinc/59/85/41/607598541.db2.gz HSSNJZFYCHQQPD-UHFFFAOYSA-N -1 1 382.380 1.134 20 0 GDADMM Cc1ccc2nc([C@H]3CCCN3C(=O)CN3CCN(C(=O)[O-])CC3=O)[nH]c2c1 ZINC000740152111 602998458 /nfs/dbraw/zinc/99/84/58/602998458.db2.gz BEUVNCOOSKIQBD-OAHLLOKOSA-N -1 1 385.424 1.357 20 0 GDADMM O=S(=O)(NCCCOc1ccc(F)cc1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826491224 607601261 /nfs/dbraw/zinc/60/12/61/607601261.db2.gz YKBLYUVJIXGNDI-UHFFFAOYSA-N -1 1 395.391 1.892 20 0 GDADMM O=S(=O)(NCCCOc1ccc(F)cc1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826491224 607601262 /nfs/dbraw/zinc/60/12/62/607601262.db2.gz YKBLYUVJIXGNDI-UHFFFAOYSA-N -1 1 395.391 1.892 20 0 GDADMM CN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000739730011 603049554 /nfs/dbraw/zinc/04/95/54/603049554.db2.gz XENJWERYBWUDEO-JTQLQIEISA-N -1 1 388.346 1.944 20 0 GDADMM CN(CCCC(=O)OCc1ccnc(-c2nnn[n-]2)c1)C(=O)OC(C)(C)C ZINC000825918932 607603191 /nfs/dbraw/zinc/60/31/91/607603191.db2.gz PKEVQHQIHILXAF-UHFFFAOYSA-N -1 1 376.417 1.952 20 0 GDADMM CN(CCCC(=O)OCc1ccnc(-c2nn[n-]n2)c1)C(=O)OC(C)(C)C ZINC000825918932 607603193 /nfs/dbraw/zinc/60/31/93/607603193.db2.gz PKEVQHQIHILXAF-UHFFFAOYSA-N -1 1 376.417 1.952 20 0 GDADMM CC[C@@H]1CN(C(=O)[C@@H](NC(=O)[O-])c2ccccc2OC)CCN1C[C@H](C)O ZINC000826675426 603057939 /nfs/dbraw/zinc/05/79/39/603057939.db2.gz KINMIYVNRXBEJK-VBQJREDUSA-N -1 1 379.457 1.308 20 0 GDADMM CC[C@@H]1CN(C(=O)[C@H](NC(=O)[O-])c2cccc(Cl)c2)CCN1C[C@@H](C)O ZINC000826675884 603058429 /nfs/dbraw/zinc/05/84/29/603058429.db2.gz SUHANRKUZOUQPG-DAXOMENPSA-N -1 1 383.876 1.952 20 0 GDADMM C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)C(=O)N1CCCC[C@H]1C ZINC000824641562 607603983 /nfs/dbraw/zinc/60/39/83/607603983.db2.gz WXJWDLDCUSOQRM-MNOVXSKESA-N -1 1 396.448 1.074 20 0 GDADMM C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)C(=O)N1CCCC[C@H]1C ZINC000824641562 607603985 /nfs/dbraw/zinc/60/39/85/607603985.db2.gz WXJWDLDCUSOQRM-MNOVXSKESA-N -1 1 396.448 1.074 20 0 GDADMM CCN1CCN(c2ccc(CNC(=O)N[C@@H](CNC(=O)[O-])C3CC3)cn2)CC1 ZINC000739458817 603078325 /nfs/dbraw/zinc/07/83/25/603078325.db2.gz XJTYLBVPTIRTOW-INIZCTEOSA-N -1 1 390.488 1.069 20 0 GDADMM O=S(=O)(NCc1cccc2c1OCCO2)c1cccc(F)c1-c1nnn[n-]1 ZINC000826491781 607605796 /nfs/dbraw/zinc/60/57/96/607605796.db2.gz ARXHQJIQIFSZOB-UHFFFAOYSA-N -1 1 391.384 1.256 20 0 GDADMM O=S(=O)(NCc1cccc2c1OCCO2)c1cccc(F)c1-c1nn[n-]n1 ZINC000826491781 607605799 /nfs/dbraw/zinc/60/57/99/607605799.db2.gz ARXHQJIQIFSZOB-UHFFFAOYSA-N -1 1 391.384 1.256 20 0 GDADMM CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000825075537 607606709 /nfs/dbraw/zinc/60/67/09/607606709.db2.gz PICMQIKYLIOFNI-DOMZBBRYSA-N -1 1 387.444 1.525 20 0 GDADMM CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000825075537 607606711 /nfs/dbraw/zinc/60/67/11/607606711.db2.gz PICMQIKYLIOFNI-DOMZBBRYSA-N -1 1 387.444 1.525 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCC[C@@H](n2ccnc2)C1 ZINC000826495286 607607290 /nfs/dbraw/zinc/60/72/90/607607290.db2.gz JVHLMYDBHTYTSA-LLVKDONJSA-N -1 1 393.860 1.742 20 0 GDADMM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000739197605 603110271 /nfs/dbraw/zinc/11/02/71/603110271.db2.gz AQBCJCMDBKHSJM-WFASDCNBSA-N -1 1 377.445 1.275 20 0 GDADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N[C@](C)(CNC(=O)[O-])C(C)C ZINC000740028211 603126320 /nfs/dbraw/zinc/12/63/20/603126320.db2.gz JTDGNXNNELFAPW-GOSISDBHSA-N -1 1 388.428 1.289 20 0 GDADMM CCN(C)c1ccccc1CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825394392 607609824 /nfs/dbraw/zinc/60/98/24/607609824.db2.gz BQHLJLZYCUJVPZ-UHFFFAOYSA-N -1 1 390.444 1.940 20 0 GDADMM CN(C[C@@H]1CCCN1C(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O)C(=O)[O-] ZINC000828218475 603150975 /nfs/dbraw/zinc/15/09/75/603150975.db2.gz MRTBBQGJEBRJAK-NSHDSACASA-N -1 1 376.438 1.437 20 0 GDADMM CCN(CC)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825399023 607613028 /nfs/dbraw/zinc/61/30/28/607613028.db2.gz FXILOGOMMNELGO-CYBMUJFWSA-N -1 1 396.448 1.027 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N(CCO)Cc1ccccc1 ZINC000826495740 607622359 /nfs/dbraw/zinc/62/23/59/607622359.db2.gz ZURKQLATVMQHJP-UHFFFAOYSA-N -1 1 377.401 1.189 20 0 GDADMM O=C([O-])Nc1ccc(NC(=O)C(=O)N2CCCN(C[C@H]3CCCO3)CC2)cc1 ZINC000740704225 603394386 /nfs/dbraw/zinc/39/43/86/603394386.db2.gz YRUXWIIMGOCMDX-MRXNPFEDSA-N -1 1 390.440 1.428 20 0 GDADMM O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCN(c2ccccc2O)CC1 ZINC000832757895 603397444 /nfs/dbraw/zinc/39/74/44/603397444.db2.gz QIFHWGKLZFYPRR-PXNSSMCTSA-N -1 1 385.464 1.754 20 0 GDADMM O=C([O-])N[C@H](CC(=O)N1CCC(CN2CCOCC2)CC1)Cc1ccccc1 ZINC000832091160 603484429 /nfs/dbraw/zinc/48/44/29/603484429.db2.gz CKENHBXJSZYRAA-IBGZPJMESA-N -1 1 389.496 1.826 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)cn1C ZINC000828761623 603527723 /nfs/dbraw/zinc/52/77/23/603527723.db2.gz YADDEXPDXPLGFA-JTQLQIEISA-N -1 1 381.410 1.941 20 0 GDADMM C[C@H](c1ccccc1)[C@@H](CO)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824770831 607637080 /nfs/dbraw/zinc/63/70/80/607637080.db2.gz MZRHSBUINKOLQR-BXUZGUMPSA-N -1 1 391.428 1.449 20 0 GDADMM C[C@H](c1ccccc1)[C@@H](CO)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824770831 607637081 /nfs/dbraw/zinc/63/70/81/607637081.db2.gz MZRHSBUINKOLQR-BXUZGUMPSA-N -1 1 391.428 1.449 20 0 GDADMM Cc1ccccc1[C@@H](O)CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826305645 607638385 /nfs/dbraw/zinc/63/83/85/607638385.db2.gz DPXLMVOBGPFZPV-ZDUSSCGKSA-N -1 1 393.856 1.840 20 0 GDADMM Cc1ccccc1[C@@H](O)CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826305645 607638387 /nfs/dbraw/zinc/63/83/87/607638387.db2.gz DPXLMVOBGPFZPV-ZDUSSCGKSA-N -1 1 393.856 1.840 20 0 GDADMM CC(C)C[C@H](CNC(=O)[O-])NC(=O)NCc1ccnc(N2CCN(C)CC2)c1 ZINC000824195638 603619436 /nfs/dbraw/zinc/61/94/36/603619436.db2.gz BDXZZSGVYSSICJ-MRXNPFEDSA-N -1 1 392.504 1.315 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)N(C)CC(C)(C)CNC(=O)[O-] ZINC000823691747 603624175 /nfs/dbraw/zinc/62/41/75/603624175.db2.gz AUKJHRAGKCLSDF-KBPBESRZSA-N -1 1 379.457 1.557 20 0 GDADMM O=S(=O)(NC[C@H](O)c1ccccc1Cl)c1cccc(F)c1-c1nnn[n-]1 ZINC000826489159 607643084 /nfs/dbraw/zinc/64/30/84/607643084.db2.gz IWSVUZMIWZCVOO-LBPRGKRZSA-N -1 1 397.819 1.671 20 0 GDADMM O=S(=O)(NC[C@H](O)c1ccccc1Cl)c1cccc(F)c1-c1nn[n-]n1 ZINC000826489159 607643086 /nfs/dbraw/zinc/64/30/86/607643086.db2.gz IWSVUZMIWZCVOO-LBPRGKRZSA-N -1 1 397.819 1.671 20 0 GDADMM CN(Cc1cccc(NC(=O)C(=O)N2CCN(C3CCCC3)CC2)c1)C(=O)[O-] ZINC000828370041 603698732 /nfs/dbraw/zinc/69/87/32/603698732.db2.gz VFCKABHVZSBOML-UHFFFAOYSA-N -1 1 388.468 1.822 20 0 GDADMM O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000832464367 603701145 /nfs/dbraw/zinc/70/11/45/603701145.db2.gz CTXKYLOUFNDKIH-RDJZCZTQSA-N -1 1 375.473 1.782 20 0 GDADMM O=C([O-])NC[C@H]1CCC[C@H]1NC(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000832464362 603701621 /nfs/dbraw/zinc/70/16/21/603701621.db2.gz CTXKYLOUFNDKIH-NVXWUHKLSA-N -1 1 375.473 1.782 20 0 GDADMM COc1cc(OC)cc(N2CC[C@@H](N3CC[C@H](CN(C)C(=O)[O-])C3)C2=O)c1 ZINC000829211374 603706459 /nfs/dbraw/zinc/70/64/59/603706459.db2.gz RDPVWCATKWVWIU-CXAGYDPISA-N -1 1 377.441 1.741 20 0 GDADMM C[C@@H]1CN(C(=O)NCCCN2CCN(c3ccccc3)CC2)CCN1C(=O)[O-] ZINC000826002572 603708952 /nfs/dbraw/zinc/70/89/52/603708952.db2.gz RFQDBHAVVLEDPL-QGZVFWFLSA-N -1 1 389.500 1.592 20 0 GDADMM COc1ccc([C@H](CNC(=O)COC2CN(C(=O)[O-])C2)N2CCCC2)cc1 ZINC000829310904 603741162 /nfs/dbraw/zinc/74/11/62/603741162.db2.gz KFSILQDENYWYEV-KRWDZBQOSA-N -1 1 377.441 1.327 20 0 GDADMM C[C@@H](CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)Oc1cccc(F)c1 ZINC000824426749 607649901 /nfs/dbraw/zinc/64/99/01/607649901.db2.gz HHUIEGFXPLHSJO-JTQLQIEISA-N -1 1 395.391 1.891 20 0 GDADMM C[C@@H](CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)Oc1cccc(F)c1 ZINC000824426749 607649902 /nfs/dbraw/zinc/64/99/02/607649902.db2.gz HHUIEGFXPLHSJO-JTQLQIEISA-N -1 1 395.391 1.891 20 0 GDADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)CCn3ccccc3=O)cc2)n1 ZINC000832729662 603910372 /nfs/dbraw/zinc/91/03/72/603910372.db2.gz IBHSKNWPPRTJCG-UHFFFAOYSA-N -1 1 382.380 1.430 20 0 GDADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)CCn3ccccc3=O)cc2)n[nH]1 ZINC000832729662 603910377 /nfs/dbraw/zinc/91/03/77/603910377.db2.gz IBHSKNWPPRTJCG-UHFFFAOYSA-N -1 1 382.380 1.430 20 0 GDADMM Cc1ccccc1[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826305745 607659368 /nfs/dbraw/zinc/65/93/68/607659368.db2.gz HLPRGLDVFAKBIC-CQSZACIVSA-N -1 1 393.856 1.840 20 0 GDADMM CN(C)c1ccnc(C(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)c1 ZINC000828077602 603912106 /nfs/dbraw/zinc/91/21/06/603912106.db2.gz QEAOEIKFBNQUDS-UHFFFAOYSA-N -1 1 381.396 1.953 20 0 GDADMM CN(C)c1ccnc(C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)c1 ZINC000828077602 603912110 /nfs/dbraw/zinc/91/21/10/603912110.db2.gz QEAOEIKFBNQUDS-UHFFFAOYSA-N -1 1 381.396 1.953 20 0 GDADMM CN(C)c1nc(CNS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)cs1 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GDADMM Cc1nn(-c2ccccc2)c(C)c1CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000822486634 606157725 /nfs/dbraw/zinc/15/77/25/606157725.db2.gz QWNIAUFMKVLDGK-UHFFFAOYSA-N -1 1 392.427 1.724 20 0 GDADMM CC(C)c1nc([C@H]2CCCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)C2)no1 ZINC000820202502 606158093 /nfs/dbraw/zinc/15/80/93/606158093.db2.gz ITGOMYLRLYLHFT-JTQLQIEISA-N -1 1 386.420 1.518 20 0 GDADMM CC(C)c1nc([C@H]2CCCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)C2)no1 ZINC000820202502 606158094 /nfs/dbraw/zinc/15/80/94/606158094.db2.gz ITGOMYLRLYLHFT-JTQLQIEISA-N -1 1 386.420 1.518 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccc(-n3ccnc3)c(F)c2)n1 ZINC000822620471 606158167 /nfs/dbraw/zinc/15/81/67/606158167.db2.gz SAJFWFNBMRWKNR-UHFFFAOYSA-N -1 1 382.363 1.247 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)n1 ZINC000822614598 606160320 /nfs/dbraw/zinc/16/03/20/606160320.db2.gz OEFJNUZSQBFELA-UKRRQHHQSA-N -1 1 382.428 1.890 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)n1 ZINC000822614598 606160323 /nfs/dbraw/zinc/16/03/23/606160323.db2.gz OEFJNUZSQBFELA-UKRRQHHQSA-N -1 1 382.428 1.890 20 0 GDADMM CCOc1cc2c(cc1CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)O[C@@H](C)C2 ZINC000821400191 606162663 /nfs/dbraw/zinc/16/26/63/606162663.db2.gz GIAAABSLSJDYEK-JTQLQIEISA-N -1 1 398.427 1.644 20 0 GDADMM CCOc1cc2c(cc1CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)O[C@@H](C)C2 ZINC000821400191 606162665 /nfs/dbraw/zinc/16/26/65/606162665.db2.gz GIAAABSLSJDYEK-JTQLQIEISA-N -1 1 398.427 1.644 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCCCCC(=O)OC(C)(C)C)n1 ZINC000822614402 606164190 /nfs/dbraw/zinc/16/41/90/606164190.db2.gz MSFSZPPXLASSBB-UHFFFAOYSA-N -1 1 378.437 1.624 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCCCCC(=O)OC(C)(C)C)n1 ZINC000822614402 606164192 /nfs/dbraw/zinc/16/41/92/606164192.db2.gz MSFSZPPXLASSBB-UHFFFAOYSA-N -1 1 378.437 1.624 20 0 GDADMM CCn1nc(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1C1CC1 ZINC000821568277 606174634 /nfs/dbraw/zinc/17/46/34/606174634.db2.gz ORTJLKNRQYGTMA-UHFFFAOYSA-N -1 1 385.436 1.020 20 0 GDADMM CCn1nc(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1C1CC1 ZINC000821568277 606174635 /nfs/dbraw/zinc/17/46/35/606174635.db2.gz ORTJLKNRQYGTMA-UHFFFAOYSA-N -1 1 385.436 1.020 20 0 GDADMM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3cccc(-c4nn[nH]n4)c3)ccc21 ZINC000673896969 606177900 /nfs/dbraw/zinc/17/79/00/606177900.db2.gz YZQSPGZLHRMZGE-UHFFFAOYSA-N -1 1 398.448 1.967 20 0 GDADMM O=C(CNC(=O)c1c(F)cccc1Cl)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823002512 606194508 /nfs/dbraw/zinc/19/45/08/606194508.db2.gz ZNAPNSGFBPRQPW-UHFFFAOYSA-N -1 1 390.762 1.733 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2)n1 ZINC000822614664 606195516 /nfs/dbraw/zinc/19/55/16/606195516.db2.gz PGGITDNGBGBXDT-NSHDSACASA-N -1 1 387.835 1.654 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2)n1 ZINC000822614664 606195518 /nfs/dbraw/zinc/19/55/18/606195518.db2.gz PGGITDNGBGBXDT-NSHDSACASA-N -1 1 387.835 1.654 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)n1 ZINC000822614663 606195540 /nfs/dbraw/zinc/19/55/40/606195540.db2.gz PGGITDNGBGBXDT-LLVKDONJSA-N -1 1 387.835 1.654 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)n1 ZINC000822614663 606195542 /nfs/dbraw/zinc/19/55/42/606195542.db2.gz PGGITDNGBGBXDT-LLVKDONJSA-N -1 1 387.835 1.654 20 0 GDADMM Cc1nc2[nH]ccc2c(N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)n1 ZINC000822449723 606215266 /nfs/dbraw/zinc/21/52/66/606215266.db2.gz MCZPCRXMTFFYEF-UHFFFAOYSA-N -1 1 392.427 1.638 20 0 GDADMM COC(=O)/C(C)=C\COC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000821639199 606227353 /nfs/dbraw/zinc/22/73/53/606227353.db2.gz RUANZVDYPPISAW-YFHOEESVSA-N -1 1 399.411 1.121 20 0 GDADMM COC(=O)/C(C)=C\COC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000821639199 606227355 /nfs/dbraw/zinc/22/73/55/606227355.db2.gz RUANZVDYPPISAW-YFHOEESVSA-N -1 1 399.411 1.121 20 0 GDADMM COc1cc(C(=O)N(C)c2snc(C)c2-c2nnn[n-]2)cc(OC)c1OC ZINC000821703184 606237059 /nfs/dbraw/zinc/23/70/59/606237059.db2.gz SLSGJDYJUGFPIR-UHFFFAOYSA-N -1 1 390.425 1.934 20 0 GDADMM COc1cc(C(=O)N(C)c2snc(C)c2-c2nn[n-]n2)cc(OC)c1OC ZINC000821703184 606237060 /nfs/dbraw/zinc/23/70/60/606237060.db2.gz SLSGJDYJUGFPIR-UHFFFAOYSA-N -1 1 390.425 1.934 20 0 GDADMM O=C(NC[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1)c1ccccc1 ZINC000823176041 606365370 /nfs/dbraw/zinc/36/53/70/606365370.db2.gz PCSCZVXLIKGITK-CQSZACIVSA-N -1 1 391.435 1.544 20 0 GDADMM O=C(NC[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1)c1ccccc1 ZINC000823176041 606365371 /nfs/dbraw/zinc/36/53/71/606365371.db2.gz PCSCZVXLIKGITK-CQSZACIVSA-N -1 1 391.435 1.544 20 0 GDADMM CN1C(=O)N[C@@]2(CCC[C@@H]2CNc2ccc(Cl)c(-c3nnn[n-]3)n2)C1=O ZINC000821620586 606423078 /nfs/dbraw/zinc/42/30/78/606423078.db2.gz PMHOWGOIOSTQPC-ANRSDYALSA-N -1 1 376.808 1.048 20 0 GDADMM CN1C(=O)N[C@@]2(CCC[C@@H]2CNc2ccc(Cl)c(-c3nn[n-]n3)n2)C1=O ZINC000821620586 606423080 /nfs/dbraw/zinc/42/30/80/606423080.db2.gz PMHOWGOIOSTQPC-ANRSDYALSA-N -1 1 376.808 1.048 20 0 GDADMM CNS(=O)(=O)c1ccc2c(c1)N(c1ccc(Cl)c(-c3nnn[n-]3)n1)CC2 ZINC000821637615 606468729 /nfs/dbraw/zinc/46/87/29/606468729.db2.gz NCTWHZBZDFABRE-UHFFFAOYSA-N -1 1 391.844 1.517 20 0 GDADMM CNS(=O)(=O)c1ccc2c(c1)N(c1ccc(Cl)c(-c3nn[n-]n3)n1)CC2 ZINC000821637615 606468731 /nfs/dbraw/zinc/46/87/31/606468731.db2.gz NCTWHZBZDFABRE-UHFFFAOYSA-N -1 1 391.844 1.517 20 0 GDADMM C[C@H](N1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1)C(F)(F)F ZINC000820307350 606470040 /nfs/dbraw/zinc/47/00/40/606470040.db2.gz LRICDGGICQCPEV-JTQLQIEISA-N -1 1 378.362 1.883 20 0 GDADMM C[C@H](N1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1)C(F)(F)F ZINC000820307350 606470041 /nfs/dbraw/zinc/47/00/41/606470041.db2.gz LRICDGGICQCPEV-JTQLQIEISA-N -1 1 378.362 1.883 20 0 GDADMM Cc1ccc([C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)s2)N2CCOCC2)o1 ZINC000822230855 606498291 /nfs/dbraw/zinc/49/82/91/606498291.db2.gz SCJDKHJADKHKDZ-GFCCVEGCSA-N -1 1 388.453 1.633 20 0 GDADMM Cc1ccc([C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)s2)N2CCOCC2)o1 ZINC000822230855 606498293 /nfs/dbraw/zinc/49/82/93/606498293.db2.gz SCJDKHJADKHKDZ-GFCCVEGCSA-N -1 1 388.453 1.633 20 0 GDADMM O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823323574 606514160 /nfs/dbraw/zinc/51/41/60/606514160.db2.gz UQDABZSCLVIORV-UHFFFAOYSA-N -1 1 384.421 1.653 20 0 GDADMM O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823323574 606514161 /nfs/dbraw/zinc/51/41/61/606514161.db2.gz UQDABZSCLVIORV-UHFFFAOYSA-N -1 1 384.421 1.653 20 0 GDADMM C[C@@]1(c2ccc(NC(=O)c3ccc(-c4nnn[n-]4)s3)cc2)NC(=O)NC1=O ZINC000820628459 606525596 /nfs/dbraw/zinc/52/55/96/606525596.db2.gz DJXMJLUVWRXWDR-INIZCTEOSA-N -1 1 383.393 1.235 20 0 GDADMM C[C@@]1(c2ccc(NC(=O)c3ccc(-c4nn[n-]n4)s3)cc2)NC(=O)NC1=O ZINC000820628459 606525597 /nfs/dbraw/zinc/52/55/97/606525597.db2.gz DJXMJLUVWRXWDR-INIZCTEOSA-N -1 1 383.393 1.235 20 0 GDADMM C[C@@H]1CN(C[C@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)s2)C[C@@H](C)O1 ZINC000820750679 606534304 /nfs/dbraw/zinc/53/43/04/606534304.db2.gz CJIMVJNFLGJVBF-JHJVBQTASA-N -1 1 376.486 1.642 20 0 GDADMM O=C(Nc1ccccc1CN1C(=O)CCC1=O)c1ccc(-c2nnn[n-]2)s1 ZINC000823372417 606535549 /nfs/dbraw/zinc/53/55/49/606535549.db2.gz CAEQGKBPXHVDPN-UHFFFAOYSA-N -1 1 382.405 1.830 20 0 GDADMM O=C(Nc1ccccc1CN1C(=O)CCC1=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823372417 606535551 /nfs/dbraw/zinc/53/55/51/606535551.db2.gz CAEQGKBPXHVDPN-UHFFFAOYSA-N -1 1 382.405 1.830 20 0 GDADMM CCN1C(=S)N=NC1[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000821563697 606553872 /nfs/dbraw/zinc/55/38/72/606553872.db2.gz AOBVWKLZGGNWCV-VIFPVBQESA-N -1 1 390.498 1.848 20 0 GDADMM CCN1C(=S)N=NC1[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000821563697 606553874 /nfs/dbraw/zinc/55/38/74/606553874.db2.gz AOBVWKLZGGNWCV-VIFPVBQESA-N -1 1 390.498 1.848 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@@H](c3noc(C4CC4)n3)C2)n1 ZINC000822609576 606579842 /nfs/dbraw/zinc/57/98/42/606579842.db2.gz QMMFNRKWKLLOFI-SNVBAGLBSA-N -1 1 384.404 1.272 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@@H](c3noc(C4CC4)n3)C2)n1 ZINC000822609576 606579843 /nfs/dbraw/zinc/57/98/43/606579843.db2.gz QMMFNRKWKLLOFI-SNVBAGLBSA-N -1 1 384.404 1.272 20 0 GDADMM Cc1nn(Cc2ccc(SC(=O)N(C)C)cc2)c(=O)c(-c2nn[n-]n2)c1C ZINC000822501079 606589297 /nfs/dbraw/zinc/58/92/97/606589297.db2.gz UNRIOZKLGDKVOY-UHFFFAOYSA-N -1 1 385.453 1.862 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccc(N3CCCCCC3)nc2)n1 ZINC000822619819 606595957 /nfs/dbraw/zinc/59/59/57/606595957.db2.gz GYGLUTKTEZFSBP-UHFFFAOYSA-N -1 1 396.459 1.697 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccc(N3CCCCCC3)nc2)n1 ZINC000822619819 606595959 /nfs/dbraw/zinc/59/59/59/606595959.db2.gz GYGLUTKTEZFSBP-UHFFFAOYSA-N -1 1 396.459 1.697 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCC2(c3ccccc3)CCOCC2)n1 ZINC000822614748 606597880 /nfs/dbraw/zinc/59/78/80/606597880.db2.gz QTEASTYVWSPVEA-UHFFFAOYSA-N -1 1 382.428 1.470 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCC2(c3ccccc3)CCOCC2)n1 ZINC000822614748 606597882 /nfs/dbraw/zinc/59/78/82/606597882.db2.gz QTEASTYVWSPVEA-UHFFFAOYSA-N -1 1 382.428 1.470 20 0 GDADMM COc1cc(CC2CN(C(=O)c3ccc(-c4nnn[n-]4)nc3)C2)cc(OC)c1 ZINC000821713442 606641107 /nfs/dbraw/zinc/64/11/07/606641107.db2.gz XPLUILAQXNIJLU-UHFFFAOYSA-N -1 1 380.408 1.594 20 0 GDADMM COc1cc(CC2CN(C(=O)c3ccc(-c4nn[n-]n4)nc3)C2)cc(OC)c1 ZINC000821713442 606641108 /nfs/dbraw/zinc/64/11/08/606641108.db2.gz XPLUILAQXNIJLU-UHFFFAOYSA-N -1 1 380.408 1.594 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000823435862 606649870 /nfs/dbraw/zinc/64/98/70/606649870.db2.gz BSCGREPGIHGTJN-GFCCVEGCSA-N -1 1 382.355 1.497 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000823435862 606649871 /nfs/dbraw/zinc/64/98/71/606649871.db2.gz BSCGREPGIHGTJN-GFCCVEGCSA-N -1 1 382.355 1.497 20 0 GDADMM O=C(Cc1cccs1)N1CCC[C@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823436039 606650515 /nfs/dbraw/zinc/65/05/15/606650515.db2.gz FMRKPVXUIUOXCJ-HNNXBMFYSA-N -1 1 398.448 1.600 20 0 GDADMM O=C(Cc1cccs1)N1CCC[C@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823436039 606650516 /nfs/dbraw/zinc/65/05/16/606650516.db2.gz FMRKPVXUIUOXCJ-HNNXBMFYSA-N -1 1 398.448 1.600 20 0 GDADMM CC(=O)[C@@H]1CC(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)=NN1c1ccccc1 ZINC000819782556 606650869 /nfs/dbraw/zinc/65/08/69/606650869.db2.gz NIEFOCYRLCAYKO-KRWDZBQOSA-N -1 1 391.391 1.529 20 0 GDADMM CC(=O)[C@@H]1CC(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)=NN1c1ccccc1 ZINC000819782556 606650870 /nfs/dbraw/zinc/65/08/70/606650870.db2.gz NIEFOCYRLCAYKO-KRWDZBQOSA-N -1 1 391.391 1.529 20 0 GDADMM CCn1c2ccccc2n(CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1=O ZINC000821563937 606651882 /nfs/dbraw/zinc/65/18/82/606651882.db2.gz MXIFQHZXSTYYII-UHFFFAOYSA-N -1 1 379.380 1.141 20 0 GDADMM CCn1c2ccccc2n(CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1=O ZINC000821563937 606651883 /nfs/dbraw/zinc/65/18/83/606651883.db2.gz MXIFQHZXSTYYII-UHFFFAOYSA-N -1 1 379.380 1.141 20 0 GDADMM O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822958860 606652962 /nfs/dbraw/zinc/65/29/62/606652962.db2.gz KIZRFAVSMVLUNO-UHFFFAOYSA-N -1 1 379.380 1.910 20 0 GDADMM O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822958860 606652963 /nfs/dbraw/zinc/65/29/63/606652963.db2.gz KIZRFAVSMVLUNO-UHFFFAOYSA-N -1 1 379.380 1.910 20 0 GDADMM O=C(CCc1nnc(-c2ccccc2)o1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822986351 606653506 /nfs/dbraw/zinc/65/35/06/606653506.db2.gz DTNPXJPODLAWOR-UHFFFAOYSA-N -1 1 377.364 1.988 20 0 GDADMM O=C(CCc1nnc(-c2ccccc2)o1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822986351 606653507 /nfs/dbraw/zinc/65/35/07/606653507.db2.gz DTNPXJPODLAWOR-UHFFFAOYSA-N -1 1 377.364 1.988 20 0 GDADMM CCc1noc(CC)c1CNC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000821558856 606698381 /nfs/dbraw/zinc/69/83/81/606698381.db2.gz HTGWWYITMPWEBW-UHFFFAOYSA-N -1 1 389.441 1.732 20 0 GDADMM O=C(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)[C@H]1CCNC(=O)C1 ZINC000823521193 606738268 /nfs/dbraw/zinc/73/82/68/606738268.db2.gz RZLXGTCKRWJOJX-ZDUSSCGKSA-N -1 1 382.449 1.738 20 0 GDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CCCCNC(=O)OCc1ccccc1 ZINC000822903659 606764751 /nfs/dbraw/zinc/76/47/51/606764751.db2.gz NGHKVUCYZGTOGL-UHFFFAOYSA-N -1 1 384.400 1.382 20 0 GDADMM C[C@H](NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1cccs1 ZINC000820351762 606786604 /nfs/dbraw/zinc/78/66/04/606786604.db2.gz RGTSRNXWNVNONO-NEPJUHHUSA-N -1 1 399.484 1.700 20 0 GDADMM C[C@H](NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1cccs1 ZINC000820351762 606786606 /nfs/dbraw/zinc/78/66/06/606786606.db2.gz RGTSRNXWNVNONO-NEPJUHHUSA-N -1 1 399.484 1.700 20 0 GDADMM Cc1ccc([C@@H](C)NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)o1 ZINC000822228961 606789994 /nfs/dbraw/zinc/78/99/94/606789994.db2.gz JNMRPVYGXHIDRC-WCQYABFASA-N -1 1 397.443 1.539 20 0 GDADMM Cc1ccc([C@@H](C)NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)o1 ZINC000822228961 606789996 /nfs/dbraw/zinc/78/99/96/606789996.db2.gz JNMRPVYGXHIDRC-WCQYABFASA-N -1 1 397.443 1.539 20 0 GDADMM CSCCCCNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821962031 606793019 /nfs/dbraw/zinc/79/30/19/606793019.db2.gz NUTMHIAWLDYYDZ-GFCCVEGCSA-N -1 1 391.505 1.020 20 0 GDADMM CSCCCCNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821962031 606793021 /nfs/dbraw/zinc/79/30/21/606793021.db2.gz NUTMHIAWLDYYDZ-GFCCVEGCSA-N -1 1 391.505 1.020 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N[C@H]1CCCC1(C)C ZINC000820789122 606794200 /nfs/dbraw/zinc/79/42/00/606794200.db2.gz VWUYEMIPFMSDRD-STQMWFEESA-N -1 1 385.476 1.456 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N[C@H]1CCCC1(C)C ZINC000820789122 606794202 /nfs/dbraw/zinc/79/42/02/606794202.db2.gz VWUYEMIPFMSDRD-STQMWFEESA-N -1 1 385.476 1.456 20 0 GDADMM O=S(=O)(N[C@H]1COc2ccc(Cl)cc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000823573086 606795393 /nfs/dbraw/zinc/79/53/93/606795393.db2.gz RRGGRNAFQPVRDA-LBPRGKRZSA-N -1 1 378.801 1.327 20 0 GDADMM O=S(=O)(N[C@H]1COc2ccc(Cl)cc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000823573086 606795394 /nfs/dbraw/zinc/79/53/94/606795394.db2.gz RRGGRNAFQPVRDA-LBPRGKRZSA-N -1 1 378.801 1.327 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CC[C@@]2(CCOC2)C1 ZINC000822459770 606814466 /nfs/dbraw/zinc/81/44/66/606814466.db2.gz VUHSWNDPFCLDEC-LJQANCHMSA-N -1 1 396.455 1.098 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CC[C@@]2(CCOC2)C1 ZINC000822459770 606814468 /nfs/dbraw/zinc/81/44/68/606814468.db2.gz VUHSWNDPFCLDEC-LJQANCHMSA-N -1 1 396.455 1.098 20 0 GDADMM Cc1cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)sc1C ZINC000822168442 606820676 /nfs/dbraw/zinc/82/06/76/606820676.db2.gz MLLCBURARYSPCJ-LLVKDONJSA-N -1 1 384.469 1.686 20 0 GDADMM Cc1cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)sc1C ZINC000822168442 606820677 /nfs/dbraw/zinc/82/06/77/606820677.db2.gz MLLCBURARYSPCJ-LLVKDONJSA-N -1 1 384.469 1.686 20 0 GDADMM C[C@H](CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)n1cccc1 ZINC000820778397 606822069 /nfs/dbraw/zinc/82/20/69/606822069.db2.gz WGGQODHTAIAKFS-KGLIPLIRSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@H](CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)n1cccc1 ZINC000820778397 606822070 /nfs/dbraw/zinc/82/20/70/606822070.db2.gz WGGQODHTAIAKFS-KGLIPLIRSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1cccc(F)c1 ZINC000819854292 606824225 /nfs/dbraw/zinc/82/42/25/606824225.db2.gz CAXFUKJSEKZHIL-OLZOCXBDSA-N -1 1 396.430 1.637 20 0 GDADMM C[C@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1cccc(F)c1 ZINC000819854292 606824227 /nfs/dbraw/zinc/82/42/27/606824227.db2.gz CAXFUKJSEKZHIL-OLZOCXBDSA-N -1 1 396.430 1.637 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000820778460 606824752 /nfs/dbraw/zinc/82/47/52/606824752.db2.gz XAOUFQQKXXNDPO-KBMXLJTQSA-N -1 1 396.499 1.910 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000820778460 606824754 /nfs/dbraw/zinc/82/47/54/606824754.db2.gz XAOUFQQKXXNDPO-KBMXLJTQSA-N -1 1 396.499 1.910 20 0 GDADMM Cc1ccc(OC(F)F)c(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000822258906 606845948 /nfs/dbraw/zinc/84/59/48/606845948.db2.gz HBMNCXUJVDYINI-UHFFFAOYSA-N -1 1 396.379 1.650 20 0 GDADMM Cc1ccc(OC(F)F)c(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000822258906 606845949 /nfs/dbraw/zinc/84/59/49/606845949.db2.gz HBMNCXUJVDYINI-UHFFFAOYSA-N -1 1 396.379 1.650 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000823606247 606847563 /nfs/dbraw/zinc/84/75/63/606847563.db2.gz HHKKIFKGBKKNEL-VXGBXAGGSA-N -1 1 399.860 1.089 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000823606247 606847565 /nfs/dbraw/zinc/84/75/65/606847565.db2.gz HHKKIFKGBKKNEL-VXGBXAGGSA-N -1 1 399.860 1.089 20 0 GDADMM O=C(NCc1ccc2c(c1)CCS2(=O)=O)c1ccc(-c2nnn[n-]2)s1 ZINC000823253322 606872316 /nfs/dbraw/zinc/87/23/16/606872316.db2.gz GIWBDOKUDXJAOY-UHFFFAOYSA-N -1 1 375.435 1.188 20 0 GDADMM O=C(NCc1ccc2c(c1)CCS2(=O)=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823253322 606872318 /nfs/dbraw/zinc/87/23/18/606872318.db2.gz GIWBDOKUDXJAOY-UHFFFAOYSA-N -1 1 375.435 1.188 20 0 GDADMM O[C@@H](C[C@H]1COCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccco1 ZINC000823673785 606879188 /nfs/dbraw/zinc/87/91/88/606879188.db2.gz OESKFHBENHWOHO-JQWIXIFHSA-N -1 1 376.804 1.837 20 0 GDADMM O[C@@H](C[C@H]1COCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccco1 ZINC000823673785 606879189 /nfs/dbraw/zinc/87/91/89/606879189.db2.gz OESKFHBENHWOHO-JQWIXIFHSA-N -1 1 376.804 1.837 20 0 GDADMM Cc1oc(NC(=O)COC(=O)[C@H]2CCCc3n[nH]cc32)c(-c2nn[n-]n2)c1C ZINC000822548953 606902556 /nfs/dbraw/zinc/90/25/56/606902556.db2.gz PRHOBSTYKIDLCR-JTQLQIEISA-N -1 1 385.384 1.401 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@@H](O)c2cc3ccccc3s2)n1 ZINC000822614535 606908593 /nfs/dbraw/zinc/90/85/93/606908593.db2.gz NJVUTGQGZFYJQR-LLVKDONJSA-N -1 1 384.425 1.670 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@@H](O)c2cc3ccccc3s2)n1 ZINC000822614535 606908595 /nfs/dbraw/zinc/90/85/95/606908595.db2.gz NJVUTGQGZFYJQR-LLVKDONJSA-N -1 1 384.425 1.670 20 0 GDADMM COc1cc(C)ccc1CNC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000821708074 606914214 /nfs/dbraw/zinc/91/42/14/606914214.db2.gz JVSWINFNMVNPCR-UHFFFAOYSA-N -1 1 386.437 1.936 20 0 GDADMM CO[C@H](CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccccc1Cl ZINC000821676925 606955555 /nfs/dbraw/zinc/95/55/55/606955555.db2.gz KATWZFPQZVLXTA-GFCCVEGCSA-N -1 1 376.808 1.763 20 0 GDADMM CO[C@H](CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccccc1Cl ZINC000821676925 606955558 /nfs/dbraw/zinc/95/55/58/606955558.db2.gz KATWZFPQZVLXTA-GFCCVEGCSA-N -1 1 376.808 1.763 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000823600565 607005988 /nfs/dbraw/zinc/00/59/88/607005988.db2.gz IMWPVNLXUMQLQX-MEDUHNTESA-N -1 1 381.433 1.322 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCc2c(F)cc(F)cc2C1 ZINC000823600682 607006699 /nfs/dbraw/zinc/00/66/99/607006699.db2.gz KMSBLQBJHOPCDC-UHFFFAOYSA-N -1 1 378.364 1.287 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCc2c(F)cc(F)cc2C1 ZINC000823600682 607006701 /nfs/dbraw/zinc/00/67/01/607006701.db2.gz KMSBLQBJHOPCDC-UHFFFAOYSA-N -1 1 378.364 1.287 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000823607748 607007598 /nfs/dbraw/zinc/00/75/98/607007598.db2.gz WUGMVQNZEBHCFI-MEDUHNTESA-N -1 1 381.433 1.322 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000822006279 607096919 /nfs/dbraw/zinc/09/69/19/607096919.db2.gz ZYTUPGKUJKVJCC-ZDUSSCGKSA-N -1 1 382.428 1.434 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCC[C@H](C)[S@@](C)=O ZINC000822541769 607099182 /nfs/dbraw/zinc/09/91/82/607099182.db2.gz QHTYDKBUTBZDHM-RSNKEIGGSA-N -1 1 376.442 1.446 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCC[C@H](C)[S@@](C)=O ZINC000822541769 607099183 /nfs/dbraw/zinc/09/91/83/607099183.db2.gz QHTYDKBUTBZDHM-RSNKEIGGSA-N -1 1 376.442 1.446 20 0 GDADMM CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000821000239 607108017 /nfs/dbraw/zinc/10/80/17/607108017.db2.gz BHLJWWYCYKNJIN-USYJTPIQSA-N -1 1 379.471 1.520 20 0 GDADMM CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000821000239 607108019 /nfs/dbraw/zinc/10/80/19/607108019.db2.gz BHLJWWYCYKNJIN-USYJTPIQSA-N -1 1 379.471 1.520 20 0 GDADMM Cc1nn(-c2ccccc2)c(COC(=O)c2cnc(C)nc2N)c1-c1nn[n-]n1 ZINC000822467528 607114012 /nfs/dbraw/zinc/11/40/12/607114012.db2.gz OOJOVRUTELCBOV-UHFFFAOYSA-N -1 1 391.395 1.398 20 0 GDADMM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820027466 607130847 /nfs/dbraw/zinc/13/08/47/607130847.db2.gz SQIOPGQPFPGDFY-ZDUSSCGKSA-N -1 1 376.417 1.854 20 0 GDADMM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820027466 607130849 /nfs/dbraw/zinc/13/08/49/607130849.db2.gz SQIOPGQPFPGDFY-ZDUSSCGKSA-N -1 1 376.417 1.854 20 0 GDADMM CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])C1 ZINC000819933685 607157512 /nfs/dbraw/zinc/15/75/12/607157512.db2.gz ZZSIZSAHMCUQGW-CYBMUJFWSA-N -1 1 390.400 1.147 20 0 GDADMM COC(=O)c1csc(NC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)c1 ZINC000821671379 607159949 /nfs/dbraw/zinc/15/99/49/607159949.db2.gz UCFIVYHBMACQKM-UHFFFAOYSA-N -1 1 392.422 1.790 20 0 GDADMM Cc1cc(C[C@H](C)NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)[nH]n1 ZINC000822200050 607167598 /nfs/dbraw/zinc/16/75/98/607167598.db2.gz SCLBUUZBYCXLDX-VIFPVBQESA-N -1 1 384.444 1.296 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000823131712 607206112 /nfs/dbraw/zinc/20/61/12/607206112.db2.gz MFYSBCWMWVPYRZ-UHFFFAOYSA-N -1 1 392.408 1.473 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCCO[C@H]1CCCc2ccccc21 ZINC000823131615 607217330 /nfs/dbraw/zinc/21/73/30/607217330.db2.gz KFUWPWATHGCKNZ-HNNXBMFYSA-N -1 1 382.428 1.059 20 0 GDADMM C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820821296 607222170 /nfs/dbraw/zinc/22/21/70/607222170.db2.gz SCPNMHWJXOAXGI-MRVPVSSYSA-N -1 1 393.238 1.911 20 0 GDADMM O=C(N[C@H]1CCOC1)C1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000826431594 607774877 /nfs/dbraw/zinc/77/48/77/607774877.db2.gz GICZJVZZBFCARN-LBPRGKRZSA-N -1 1 399.411 1.236 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CC2(CC(F)C2)C1 ZINC000826327784 607807345 /nfs/dbraw/zinc/80/73/45/607807345.db2.gz UUGQXFSOHUMXMS-UHFFFAOYSA-N -1 1 384.419 1.419 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CC2(CC(F)C2)C1 ZINC000826327784 607807346 /nfs/dbraw/zinc/80/73/46/607807346.db2.gz UUGQXFSOHUMXMS-UHFFFAOYSA-N -1 1 384.419 1.419 20 0 GDADMM COc1cccnc1N(C)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826220862 607811877 /nfs/dbraw/zinc/81/18/77/607811877.db2.gz DFVSFFPDWFKIAU-UHFFFAOYSA-N -1 1 380.817 1.749 20 0 GDADMM COc1cccnc1N(C)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826220862 607811878 /nfs/dbraw/zinc/81/18/78/607811878.db2.gz DFVSFFPDWFKIAU-UHFFFAOYSA-N -1 1 380.817 1.749 20 0 GDADMM CC(C)N(CCc1nccs1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824292904 607818338 /nfs/dbraw/zinc/81/83/38/607818338.db2.gz CYHWRILPRZFDAT-UHFFFAOYSA-N -1 1 379.471 1.360 20 0 GDADMM CC(C)N(CCc1nccs1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824292904 607818339 /nfs/dbraw/zinc/81/83/39/607818339.db2.gz CYHWRILPRZFDAT-UHFFFAOYSA-N -1 1 379.471 1.360 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)NC[C@H](C)S(C)(=O)=O)c1-c1nn[n-]n1 ZINC000826231196 607826409 /nfs/dbraw/zinc/82/64/09/607826409.db2.gz BJAXNEMGRJEYCD-QMMMGPOBSA-N -1 1 396.498 1.024 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCC(C)(C)[C@@H](O)C(C)C)cc1-c1nn[n-]n1 ZINC000826229569 607835860 /nfs/dbraw/zinc/83/58/60/607835860.db2.gz JFCXCNVCUJBSIR-NSHDSACASA-N -1 1 380.474 1.462 20 0 GDADMM CN1C(=O)c2ccc(NC(=O)COc3cccc(F)c3-c3nnn[n-]3)cc2C1=O ZINC000826018446 607864972 /nfs/dbraw/zinc/86/49/72/607864972.db2.gz ZIJOHZKZHMTBAY-UHFFFAOYSA-N -1 1 396.338 1.249 20 0 GDADMM CN1C(=O)c2ccc(NC(=O)COc3cccc(F)c3-c3nn[n-]n3)cc2C1=O ZINC000826018446 607864973 /nfs/dbraw/zinc/86/49/73/607864973.db2.gz ZIJOHZKZHMTBAY-UHFFFAOYSA-N -1 1 396.338 1.249 20 0 GDADMM CC(=O)Nc1ccc(OC[C@@H](O)COc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000823999953 607874485 /nfs/dbraw/zinc/87/44/85/607874485.db2.gz OMZQAPFFIBUHAP-CYBMUJFWSA-N -1 1 387.371 1.783 20 0 GDADMM CC(=O)Nc1ccc(OC[C@@H](O)COc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000823999953 607874486 /nfs/dbraw/zinc/87/44/86/607874486.db2.gz OMZQAPFFIBUHAP-CYBMUJFWSA-N -1 1 387.371 1.783 20 0 GDADMM CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826004239 607880096 /nfs/dbraw/zinc/88/00/96/607880096.db2.gz PCVLKFDNHBFPTJ-UHFFFAOYSA-N -1 1 377.357 1.560 20 0 GDADMM CN1Cc2ccccc2[C@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000826052188 607938006 /nfs/dbraw/zinc/93/80/06/607938006.db2.gz PIJWRCPXRRQCQV-CQSZACIVSA-N -1 1 388.428 1.471 20 0 GDADMM CN1Cc2ccccc2[C@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000826052188 607938007 /nfs/dbraw/zinc/93/80/07/607938007.db2.gz PIJWRCPXRRQCQV-CQSZACIVSA-N -1 1 388.428 1.471 20 0 GDADMM COc1ccc(C[C@H](C)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000826191290 607974096 /nfs/dbraw/zinc/97/40/96/607974096.db2.gz BZLORUGTHAGWOZ-LBPRGKRZSA-N -1 1 388.453 1.427 20 0 GDADMM COc1ccc(C[C@H](C)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000826191290 607974097 /nfs/dbraw/zinc/97/40/97/607974097.db2.gz BZLORUGTHAGWOZ-LBPRGKRZSA-N -1 1 388.453 1.427 20 0 GDADMM COc1cc(OC)cc([C@H](Nc2ccc(-c3nnn[n-]3)nn2)c2nccn2C)c1 ZINC000826181237 607988447 /nfs/dbraw/zinc/98/84/47/607988447.db2.gz QPESGRZTPFQBNG-INIZCTEOSA-N -1 1 393.411 1.609 20 0 GDADMM COc1cc(OC)cc([C@H](Nc2ccc(-c3nn[n-]n3)nn2)c2nccn2C)c1 ZINC000826181237 607988448 /nfs/dbraw/zinc/98/84/48/607988448.db2.gz QPESGRZTPFQBNG-INIZCTEOSA-N -1 1 393.411 1.609 20 0 GDADMM Cc1nnnn1C(=Cc1ccccc1)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826337930 607998076 /nfs/dbraw/zinc/99/80/76/607998076.db2.gz GCZQHTJRYBAJOM-DHDCSXOGSA-N -1 1 389.379 1.504 20 0 GDADMM O=C(Cc1cccs1)N1CCC[C@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826451076 607999841 /nfs/dbraw/zinc/99/98/41/607999841.db2.gz PFSYEUNEHFPKNP-AWEZNQCLSA-N -1 1 398.448 1.806 20 0 GDADMM Cc1cc2c(ncnc2N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)s1 ZINC000826272987 608051529 /nfs/dbraw/zinc/05/15/29/608051529.db2.gz KIGBVBJEWHAACM-JTQLQIEISA-N -1 1 394.468 1.685 20 0 GDADMM Cc1cc2c(ncnc2N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)s1 ZINC000826272987 608051530 /nfs/dbraw/zinc/05/15/30/608051530.db2.gz KIGBVBJEWHAACM-JTQLQIEISA-N -1 1 394.468 1.685 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccccc2F)C1=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826430988 608061390 /nfs/dbraw/zinc/06/13/90/608061390.db2.gz PBYXLMHNBJKTIB-CQSZACIVSA-N -1 1 381.371 1.326 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccccc2F)C1=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826430988 608061391 /nfs/dbraw/zinc/06/13/91/608061391.db2.gz PBYXLMHNBJKTIB-CQSZACIVSA-N -1 1 381.371 1.326 20 0 GDADMM Cc1cc(C)c(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c(C)c1 ZINC000826263043 608071878 /nfs/dbraw/zinc/07/18/78/608071878.db2.gz IXCIKGWRXTYSJV-OAHLLOKOSA-N -1 1 392.467 1.933 20 0 GDADMM Cc1cc(C)c(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c(C)c1 ZINC000826263043 608071879 /nfs/dbraw/zinc/07/18/79/608071879.db2.gz IXCIKGWRXTYSJV-OAHLLOKOSA-N -1 1 392.467 1.933 20 0 GDADMM O=S(=O)(NC[C@H](O)c1ccc(Cl)c(F)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826489402 608098302 /nfs/dbraw/zinc/09/83/02/608098302.db2.gz ORFHRMSSRYOQQU-ZDUSSCGKSA-N -1 1 398.807 1.066 20 0 GDADMM O=S(=O)(NC[C@H](O)c1ccc(Cl)c(F)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826489402 608098303 /nfs/dbraw/zinc/09/83/03/608098303.db2.gz ORFHRMSSRYOQQU-ZDUSSCGKSA-N -1 1 398.807 1.066 20 0 GDADMM CCOC(=O)[C@@H](C)[C@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825485646 608127346 /nfs/dbraw/zinc/12/73/46/608127346.db2.gz HWHJJESHIFQLSG-IUCAKERBSA-N -1 1 387.849 1.386 20 0 GDADMM CCOC(=O)[C@@H](C)[C@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825485646 608127347 /nfs/dbraw/zinc/12/73/47/608127347.db2.gz HWHJJESHIFQLSG-IUCAKERBSA-N -1 1 387.849 1.386 20 0 GDADMM COc1ccc(-n2nc(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)cc2C)cc1 ZINC000826186872 608160595 /nfs/dbraw/zinc/16/05/95/608160595.db2.gz NOQRVRYSHILKRW-UHFFFAOYSA-N -1 1 379.384 1.355 20 0 GDADMM COc1ccc(-n2nc(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)cc2C)cc1 ZINC000826186872 608160596 /nfs/dbraw/zinc/16/05/96/608160596.db2.gz NOQRVRYSHILKRW-UHFFFAOYSA-N -1 1 379.384 1.355 20 0 GDADMM Cn1ccc(Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Br)ccc32)n1 ZINC000826363152 608218916 /nfs/dbraw/zinc/21/89/16/608218916.db2.gz ADGVKMZMEJOVNH-UHFFFAOYSA-N -1 1 386.213 1.726 20 0 GDADMM CN1CCO[C@@H]([C@H](Nc2nccnc2-c2nnn[n-]2)c2ccc(Cl)cc2)C1 ZINC000826044725 608235210 /nfs/dbraw/zinc/23/52/10/608235210.db2.gz JQAPHWXTFFBWSR-ZIAGYGMSSA-N -1 1 386.847 1.794 20 0 GDADMM CN1CCO[C@@H]([C@H](Nc2nccnc2-c2nn[n-]n2)c2ccc(Cl)cc2)C1 ZINC000826044725 608235212 /nfs/dbraw/zinc/23/52/12/608235212.db2.gz JQAPHWXTFFBWSR-ZIAGYGMSSA-N -1 1 386.847 1.794 20 0 GDADMM O=S(=O)(N[C@H](c1ccccc1)[C@H]1CCOC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826487594 608248120 /nfs/dbraw/zinc/24/81/20/608248120.db2.gz SWZYEVCHXBRRMO-XJKSGUPXSA-N -1 1 386.437 1.318 20 0 GDADMM O=S(=O)(N[C@H](c1ccccc1)[C@H]1CCOC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826487594 608248121 /nfs/dbraw/zinc/24/81/21/608248121.db2.gz SWZYEVCHXBRRMO-XJKSGUPXSA-N -1 1 386.437 1.318 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@]1(C)CCCOC1 ZINC000826328148 608279133 /nfs/dbraw/zinc/27/91/33/608279133.db2.gz HJTHJGOYZPITLP-GOSISDBHSA-N -1 1 384.444 1.144 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@]1(C)CCCOC1 ZINC000826328148 608279134 /nfs/dbraw/zinc/27/91/34/608279134.db2.gz HJTHJGOYZPITLP-GOSISDBHSA-N -1 1 384.444 1.144 20 0 GDADMM Cc1oc(NC(=O)[C@H](C)N2CCCN(CC(F)F)CC2)c(-c2nn[n-]n2)c1C ZINC000826341306 608322047 /nfs/dbraw/zinc/32/20/47/608322047.db2.gz CNUNLESQTIZFSC-NSHDSACASA-N -1 1 397.430 1.676 20 0 GDADMM C[C@@H]1CCC[C@H](N(C)C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000824927801 608341477 /nfs/dbraw/zinc/34/14/77/608341477.db2.gz QIEAGPMILQJJHY-NEPJUHHUSA-N -1 1 388.476 1.794 20 0 GDADMM C[C@@H]1CCC[C@H](N(C)C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000824927801 608341478 /nfs/dbraw/zinc/34/14/78/608341478.db2.gz QIEAGPMILQJJHY-NEPJUHHUSA-N -1 1 388.476 1.794 20 0 GDADMM CC[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)c1ccncc1 ZINC000825133543 608354515 /nfs/dbraw/zinc/35/45/15/608354515.db2.gz NRFWGZKOVKYCBK-CYBMUJFWSA-N -1 1 397.443 1.419 20 0 GDADMM CC[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)c1ccncc1 ZINC000825133543 608354517 /nfs/dbraw/zinc/35/45/17/608354517.db2.gz NRFWGZKOVKYCBK-CYBMUJFWSA-N -1 1 397.443 1.419 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N2C[C@@H]3CCCC[C@H]3C2)n1 ZINC000824141919 608355227 /nfs/dbraw/zinc/35/52/27/608355227.db2.gz OKKSLHNBESWAAU-RYUDHWBXSA-N -1 1 386.460 1.405 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N2C[C@@H]3CCCC[C@H]3C2)n1 ZINC000824141919 608355230 /nfs/dbraw/zinc/35/52/30/608355230.db2.gz OKKSLHNBESWAAU-RYUDHWBXSA-N -1 1 386.460 1.405 20 0 GDADMM Cc1ccc2c(n1)OCCN2S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826294646 608419028 /nfs/dbraw/zinc/41/90/28/608419028.db2.gz YDBXGBVNCSBQHV-UHFFFAOYSA-N -1 1 376.373 1.297 20 0 GDADMM Cc1oc(NC(=O)COC(=O)c2cnc(Cl)c(N)c2)c(-c2nn[n-]n2)c1C ZINC000826342413 608455552 /nfs/dbraw/zinc/45/55/52/608455552.db2.gz JATGQOMYBYKVQF-UHFFFAOYSA-N -1 1 391.775 1.503 20 0 GDADMM c1csc(-c2noc(CN3CCN(Cc4ccc(-c5nnn[n-]5)o4)CC3)n2)c1 ZINC000826526433 608512272 /nfs/dbraw/zinc/51/22/72/608512272.db2.gz YTVBANRCFYRZTL-UHFFFAOYSA-N -1 1 398.452 1.889 20 0 GDADMM c1csc(-c2noc(CN3CCN(Cc4ccc(-c5nn[n-]n5)o4)CC3)n2)c1 ZINC000826526433 608512275 /nfs/dbraw/zinc/51/22/75/608512275.db2.gz YTVBANRCFYRZTL-UHFFFAOYSA-N -1 1 398.452 1.889 20 0 GDADMM CC(C)Oc1cncc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000824333088 608556249 /nfs/dbraw/zinc/55/62/49/608556249.db2.gz DFLCNNOOPYNHBQ-UHFFFAOYSA-N -1 1 385.432 1.059 20 0 GDADMM CC(C)Oc1cncc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000824333088 608556251 /nfs/dbraw/zinc/55/62/51/608556251.db2.gz DFLCNNOOPYNHBQ-UHFFFAOYSA-N -1 1 385.432 1.059 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C[C@H]1CCc2ccccc2C1 ZINC000825923464 608557055 /nfs/dbraw/zinc/55/70/55/608557055.db2.gz IWVCPXRDTVKMIY-ZDUSSCGKSA-N -1 1 394.483 1.758 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C[C@H]1CCc2ccccc2C1 ZINC000825923464 608557056 /nfs/dbraw/zinc/55/70/56/608557056.db2.gz IWVCPXRDTVKMIY-ZDUSSCGKSA-N -1 1 394.483 1.758 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000825923440 608558957 /nfs/dbraw/zinc/55/89/57/608558957.db2.gz HUYVKLXSLBVQDC-UONOGXRCSA-N -1 1 380.456 1.442 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000825923440 608558959 /nfs/dbraw/zinc/55/89/59/608558959.db2.gz HUYVKLXSLBVQDC-UONOGXRCSA-N -1 1 380.456 1.442 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1ccc2ccn(C)c2c1 ZINC000825929881 609158033 /nfs/dbraw/zinc/15/80/33/609158033.db2.gz NLRQVBUYSXOHEA-UHFFFAOYSA-N -1 1 394.443 1.760 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1ccc2ccn(C)c2c1 ZINC000825929881 609158034 /nfs/dbraw/zinc/15/80/34/609158034.db2.gz NLRQVBUYSXOHEA-UHFFFAOYSA-N -1 1 394.443 1.760 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1scnc1C1CC1 ZINC000825929281 609161497 /nfs/dbraw/zinc/16/14/97/609161497.db2.gz FENNHTCCECSQCF-UHFFFAOYSA-N -1 1 388.461 1.602 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1scnc1C1CC1 ZINC000825929281 609161498 /nfs/dbraw/zinc/16/14/98/609161498.db2.gz FENNHTCCECSQCF-UHFFFAOYSA-N -1 1 388.461 1.602 20 0 GDADMM CSc1cc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)ccn1 ZINC000826230454 609163318 /nfs/dbraw/zinc/16/33/18/609163318.db2.gz UZEBHYKBHKCOLE-UHFFFAOYSA-N -1 1 388.461 1.385 20 0 GDADMM CSc1cc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)ccn1 ZINC000826230454 609163320 /nfs/dbraw/zinc/16/33/20/609163320.db2.gz UZEBHYKBHKCOLE-UHFFFAOYSA-N -1 1 388.461 1.385 20 0 GDADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CSCCCC(C)C)CC2)o1 ZINC000826322777 609182440 /nfs/dbraw/zinc/18/24/40/609182440.db2.gz BBTMTTSCOVXFIH-UHFFFAOYSA-N -1 1 393.517 1.981 20 0 GDADMM CCOC(=O)C(C)(C)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825486648 609289010 /nfs/dbraw/zinc/28/90/10/609289010.db2.gz UXHJDQARGIMADJ-UHFFFAOYSA-N -1 1 387.375 1.719 20 0 GDADMM Cn1c(=O)cccc1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826355002 609289522 /nfs/dbraw/zinc/28/95/22/609289522.db2.gz GANPHPHKZQROFT-UHFFFAOYSA-N -1 1 380.343 1.143 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)[C@H]1CC(=O)N(C2CC2)C1 ZINC000826458388 609291721 /nfs/dbraw/zinc/29/17/21/609291721.db2.gz NPGQHUWKSJUTCB-JTQLQIEISA-N -1 1 396.386 1.141 20 0 GDADMM COc1ccc(C)cc1CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826190363 609300642 /nfs/dbraw/zinc/30/06/42/609300642.db2.gz YMHLMNZZGMPICX-UHFFFAOYSA-N -1 1 399.459 1.263 20 0 GDADMM COc1ccc(C)cc1CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826190363 609300644 /nfs/dbraw/zinc/30/06/44/609300644.db2.gz YMHLMNZZGMPICX-UHFFFAOYSA-N -1 1 399.459 1.263 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@@H]1CCc2ccc(F)cc21 ZINC000825929505 609302709 /nfs/dbraw/zinc/30/27/09/609302709.db2.gz GYXYPMJZQRFPHC-CYBMUJFWSA-N -1 1 399.434 1.573 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@@H]1CCc2ccc(F)cc21 ZINC000825929505 609302710 /nfs/dbraw/zinc/30/27/10/609302710.db2.gz GYXYPMJZQRFPHC-CYBMUJFWSA-N -1 1 399.434 1.573 20 0 GDADMM Cc1nc([C@@H](C)NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cs1 ZINC000826323637 609303412 /nfs/dbraw/zinc/30/34/12/609303412.db2.gz LTJXOBIHKSMRQG-MRVPVSSYSA-N -1 1 390.477 1.272 20 0 GDADMM Cc1nc([C@@H](C)NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cs1 ZINC000826323637 609303414 /nfs/dbraw/zinc/30/34/14/609303414.db2.gz LTJXOBIHKSMRQG-MRVPVSSYSA-N -1 1 390.477 1.272 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000825930334 609303886 /nfs/dbraw/zinc/30/38/86/609303886.db2.gz SYTGKJOIWPLLQF-JHJVBQTASA-N -1 1 387.492 1.715 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000825930334 609303888 /nfs/dbraw/zinc/30/38/88/609303888.db2.gz SYTGKJOIWPLLQF-JHJVBQTASA-N -1 1 387.492 1.715 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCCCc1cccs1 ZINC000825929562 609309672 /nfs/dbraw/zinc/30/96/72/609309672.db2.gz IGBZRTVHQDSRAQ-UHFFFAOYSA-N -1 1 389.489 1.440 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCCCc1cccs1 ZINC000825929562 609309675 /nfs/dbraw/zinc/30/96/75/609309675.db2.gz IGBZRTVHQDSRAQ-UHFFFAOYSA-N -1 1 389.489 1.440 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)Nc2cc3c(cc2C)OCO3)cc1-c1nn[n-]n1 ZINC000826229818 609310483 /nfs/dbraw/zinc/31/04/83/609310483.db2.gz SLCHCYTXZITJDV-UHFFFAOYSA-N -1 1 386.393 1.979 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@@H](c3ccc(F)cc3)CC2)n(C)c1=O ZINC000826355765 609326577 /nfs/dbraw/zinc/32/65/77/609326577.db2.gz MOQCQXZUIMQOCO-GFCCVEGCSA-N -1 1 399.430 1.177 20 0 GDADMM CCC(CC)[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC000825106392 609332871 /nfs/dbraw/zinc/33/28/71/609332871.db2.gz BKJHDRYHWPHULZ-WFASDCNBSA-N -1 1 380.474 1.524 20 0 GDADMM CCC(CC)[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC000825106392 609332873 /nfs/dbraw/zinc/33/28/73/609332873.db2.gz BKJHDRYHWPHULZ-WFASDCNBSA-N -1 1 380.474 1.524 20 0 GDADMM COCC[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccc(C)o1 ZINC000826155091 609334339 /nfs/dbraw/zinc/33/43/39/609334339.db2.gz GECPQNYWVCSTDB-GFCCVEGCSA-N -1 1 395.416 1.963 20 0 GDADMM COCC[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccc(C)o1 ZINC000826155091 609334341 /nfs/dbraw/zinc/33/43/41/609334341.db2.gz GECPQNYWVCSTDB-GFCCVEGCSA-N -1 1 395.416 1.963 20 0 GDADMM CN(C)c1ccnc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)c1 ZINC000825884244 609350760 /nfs/dbraw/zinc/35/07/60/609350760.db2.gz WLEJAOWLEUAMRS-UHFFFAOYSA-N -1 1 393.386 1.905 20 0 GDADMM C[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1 ZINC000824937783 609353470 /nfs/dbraw/zinc/35/34/70/609353470.db2.gz RDFGOGWQJNERQO-LLVKDONJSA-N -1 1 398.402 1.389 20 0 GDADMM CCN(C(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C1CC1 ZINC000825361614 609353490 /nfs/dbraw/zinc/35/34/90/609353490.db2.gz GFOPHQCBJBHAMV-UHFFFAOYSA-N -1 1 384.375 1.141 20 0 GDADMM CCC[C@@](C)(CO)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825233175 609356623 /nfs/dbraw/zinc/35/66/23/609356623.db2.gz NWPVEOYHODGIAL-KRWDZBQOSA-N -1 1 388.407 1.864 20 0 GDADMM CN(C[C@H](O)C1CC1)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825902635 609363371 /nfs/dbraw/zinc/36/33/71/609363371.db2.gz XVVQFBJEOQAODJ-ZDUSSCGKSA-N -1 1 386.391 1.426 20 0 GDADMM COC[C@H](NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C(C)C ZINC000826150389 609363941 /nfs/dbraw/zinc/36/39/41/609363941.db2.gz CYEZUZIOJQBHOK-LBPRGKRZSA-N -1 1 388.407 1.984 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N[C@@H]1CCCC[C@@H]1O ZINC000826458552 609364799 /nfs/dbraw/zinc/36/47/99/609364799.db2.gz UYSFKXCMSZIOEA-YPMHNXCESA-N -1 1 386.391 1.617 20 0 GDADMM C[C@H]1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)[C@H]1C ZINC000824945456 609367917 /nfs/dbraw/zinc/36/79/17/609367917.db2.gz CTEZIQVDOUYFQN-QWRGUYRKSA-N -1 1 398.402 1.387 20 0 GDADMM O=S(=O)(Nc1ccccc1)[C@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000826492990 609386440 /nfs/dbraw/zinc/38/64/40/609386440.db2.gz NXDSEXJPABJLCW-AWEZNQCLSA-N -1 1 385.453 1.672 20 0 GDADMM O=S(=O)(Nc1ccccc1)[C@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000826492990 609386442 /nfs/dbraw/zinc/38/64/42/609386442.db2.gz NXDSEXJPABJLCW-AWEZNQCLSA-N -1 1 385.453 1.672 20 0 GDADMM Cc1onc(CC(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)c1-c1nnn[n-]1 ZINC000826346459 609469728 /nfs/dbraw/zinc/46/97/28/609469728.db2.gz NCHVSWUJOOWPTH-GFCCVEGCSA-N -1 1 399.386 1.157 20 0 GDADMM Cc1onc(CC(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)c1-c1nn[n-]n1 ZINC000826346459 609469729 /nfs/dbraw/zinc/46/97/29/609469729.db2.gz NCHVSWUJOOWPTH-GFCCVEGCSA-N -1 1 399.386 1.157 20 0 GDADMM CCOc1ccc(-c2cn(C3CN(c4ccc(-c5nnn[n-]5)nn4)C3)nn2)cc1 ZINC000825621703 609491196 /nfs/dbraw/zinc/49/11/96/609491196.db2.gz XVPPMDBNOXIUAK-UHFFFAOYSA-N -1 1 390.411 1.375 20 0 GDADMM CCOc1ccc(-c2cn(C3CN(c4ccc(-c5nn[n-]n5)nn4)C3)nn2)cc1 ZINC000825621703 609491197 /nfs/dbraw/zinc/49/11/97/609491197.db2.gz XVPPMDBNOXIUAK-UHFFFAOYSA-N -1 1 390.411 1.375 20 0 GDADMM COc1ccc(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1C(C)=O ZINC000826211781 609583131 /nfs/dbraw/zinc/58/31/31/609583131.db2.gz UJJFSQZOEZFTIT-UHFFFAOYSA-N -1 1 392.368 1.985 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(S(C)(=O)=O)ccc2F)c(C)o1 ZINC000533168628 650044631 /nfs/dbraw/zinc/04/46/31/650044631.db2.gz FHWSWQKFHAFZBH-UHFFFAOYSA-N -1 1 391.398 1.718 20 0 GDADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2cnc(-c3ncccn3)s2)c1 ZINC000536739273 650279694 /nfs/dbraw/zinc/27/96/94/650279694.db2.gz BJDCMHOUIBHUME-UHFFFAOYSA-N -1 1 377.407 1.205 20 0 GDADMM Cc1nc(S[C@@H](C(=O)N[C@@]2(C)CCS(=O)(=O)C2)C(C)C)[n-]c(=O)c1C ZINC000537418526 650292220 /nfs/dbraw/zinc/29/22/20/650292220.db2.gz ZDKDGPKKXRTXSR-WBMJQRKESA-N -1 1 387.527 1.609 20 0 GDADMM CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])c1 ZINC000540803951 650370063 /nfs/dbraw/zinc/37/00/63/650370063.db2.gz DGQFNRCJSNJSQC-UHFFFAOYSA-N -1 1 383.813 1.904 20 0 GDADMM COCCn1c(=O)c2ccc(Cl)cc2nc1SCc1nc(=O)n(C)[n-]1 ZINC000541852364 650394190 /nfs/dbraw/zinc/39/41/90/650394190.db2.gz DRVUTAAWGTVJBR-UHFFFAOYSA-N -1 1 381.845 1.410 20 0 GDADMM NC(=O)c1ccc(C[N-]S(=O)(=O)c2cccc(Br)c2F)o1 ZINC000543070961 650417847 /nfs/dbraw/zinc/41/78/47/650417847.db2.gz NBRFMRFTZFRKCX-UHFFFAOYSA-N -1 1 377.191 1.759 20 0 GDADMM CCOC(=O)[C@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000544710599 650444988 /nfs/dbraw/zinc/44/49/88/650444988.db2.gz HEBGWRGNKSGMKJ-GJZGRUSLSA-N -1 1 375.874 1.913 20 0 GDADMM CN1CCO[C@H]2CN(C(=O)c3ccc(I)c([O-])c3)C[C@H]21 ZINC000544830151 650446236 /nfs/dbraw/zinc/44/62/36/650446236.db2.gz YQMQEXUBOTVEIY-YPMHNXCESA-N -1 1 388.205 1.152 20 0 GDADMM O=C(CNC(=O)c1ccc(Br)s1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000545303805 650453157 /nfs/dbraw/zinc/45/31/57/650453157.db2.gz NXKAGLJJRLKYCS-MRVPVSSYSA-N -1 1 399.274 1.160 20 0 GDADMM CS(=O)(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Br)o2)C1 ZINC000545356782 650454627 /nfs/dbraw/zinc/45/46/27/650454627.db2.gz KFESWOKMYIMWLG-BDAKNGLRSA-N -1 1 386.289 1.676 20 0 GDADMM C[C@H]([N-]S(=O)(=O)c1cccs1)c1nc(-c2ccc(C(N)=O)cc2)no1 ZINC000545604830 650460236 /nfs/dbraw/zinc/46/02/36/650460236.db2.gz PRTJLJAVQQZFGW-VIFPVBQESA-N -1 1 378.435 1.937 20 0 GDADMM C[C@H](CO[C@H]1CCOC1)NC(=O)c1ccc(I)c([O-])c1 ZINC000546165512 650473185 /nfs/dbraw/zinc/47/31/85/650473185.db2.gz BNMSYPZVHWJZEI-KOLCDFICSA-N -1 1 391.205 1.921 20 0 GDADMM CC(C)c1nc(Cc2noc(C[N-]S(=O)(=O)c3cnn(C)c3)n2)cs1 ZINC000546386389 650476951 /nfs/dbraw/zinc/47/69/51/650476951.db2.gz UXERDIIUTIWPSZ-UHFFFAOYSA-N -1 1 382.471 1.452 20 0 GDADMM CCOC(=O)[C@@H](C)CNC(=O)c1ccc(I)c([O-])c1 ZINC000546193213 650474096 /nfs/dbraw/zinc/47/40/96/650474096.db2.gz OVVOGOKKGWHMNH-QMMMGPOBSA-N -1 1 377.178 1.926 20 0 GDADMM COCCN1CCN(C(=O)c2ccc(I)c([O-])c2)CC1 ZINC000546223436 650474967 /nfs/dbraw/zinc/47/49/67/650474967.db2.gz SHWJNMQDIBLRLX-UHFFFAOYSA-N -1 1 390.221 1.401 20 0 GDADMM CCOC(=O)[C@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)[C@@H]1CCO[C@@H]1C ZINC000546767801 650485480 /nfs/dbraw/zinc/48/54/80/650485480.db2.gz WTJPZEVEBOBPTG-BYCMXARLSA-N -1 1 375.874 1.911 20 0 GDADMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)C[C@H]1CCCC[C@H]1C ZINC000547371941 650496911 /nfs/dbraw/zinc/49/69/11/650496911.db2.gz QGIBDPNATXAPKE-ZYHUDNBSSA-N -1 1 375.516 1.768 20 0 GDADMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)CCc1cccc(C)c1 ZINC000547368837 650496525 /nfs/dbraw/zinc/49/65/25/650496525.db2.gz WJDJKQVXLPXFAQ-UHFFFAOYSA-N -1 1 383.495 1.493 20 0 GDADMM O=S(=O)(CCO)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000547499797 650499628 /nfs/dbraw/zinc/49/96/28/650499628.db2.gz KIJLHYCFKJXBEU-UHFFFAOYSA-N -1 1 377.390 1.532 20 0 GDADMM O=C([O-])[C@@H](Cc1cnc[nH]1)NS(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000547544193 650499973 /nfs/dbraw/zinc/49/99/73/650499973.db2.gz GFYGSJQPYFRRTE-GFCCVEGCSA-N -1 1 377.344 1.544 20 0 GDADMM O=C([O-])[C@H](CN1CCCCC1)NS(=O)(=O)c1ccccc1Br ZINC000547575758 650504305 /nfs/dbraw/zinc/50/43/05/650504305.db2.gz ZKPJYLQVSODZBE-LBPRGKRZSA-N -1 1 391.287 1.667 20 0 GDADMM C[C@@H]1OCC[C@@H]1S(=O)(=O)[N-][C@@H]1CN(c2ccc(Br)cc2)C1=O ZINC000555575417 650694060 /nfs/dbraw/zinc/69/40/60/650694060.db2.gz VJXSQSSXNKEGSD-BIMULSAOSA-N -1 1 389.271 1.261 20 0 GDADMM 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O=C([O-])[C@@H]1CCCN(CC(=O)NC[C@H](O)c2cccc(Br)c2)C1 ZINC000911742349 660017915 /nfs/dbraw/zinc/01/79/15/660017915.db2.gz WINPEYOWJBQQRD-OCCSQVGLSA-N -1 1 385.258 1.395 20 0 GDADMM CCN(C(=O)c1coc(S(=O)(=O)[N-]C)c1)[C@H]1CCN(CC(F)(F)F)C1 ZINC000912493414 660039924 /nfs/dbraw/zinc/03/99/24/660039924.db2.gz URPHRUSWQZDZJU-NSHDSACASA-N -1 1 383.392 1.286 20 0 GDADMM CN=[S@@](C)(=O)CCNC(=O)c1ccc(I)c([O-])c1 ZINC000912789243 660053566 /nfs/dbraw/zinc/05/35/66/660053566.db2.gz DUNFLYQLLGTHLJ-SFHVURJKSA-N -1 1 382.223 1.454 20 0 GDADMM CSCC[C@H](NC(=O)c1nc(F)ccc1Br)c1nn[n-]n1 ZINC000912861950 660057233 /nfs/dbraw/zinc/05/72/33/660057233.db2.gz DIDNKLNSVFVOIE-ZETCQYMHSA-N -1 1 375.227 1.721 20 0 GDADMM COc1nn2cc(Br)cnc2c1S(=O)(=O)[N-]C1CCCC1 ZINC000913828295 660098822 /nfs/dbraw/zinc/09/88/22/660098822.db2.gz NKPZGUCIXYSPMN-UHFFFAOYSA-N -1 1 375.248 1.721 20 0 GDADMM COc1nn2cc(Br)cnc2c1S(=O)(=O)[N-][C@H]1CCSC1 ZINC000914198995 660126489 /nfs/dbraw/zinc/12/64/89/660126489.db2.gz WBLOEVWFHFUBOE-QMMMGPOBSA-N -1 1 393.288 1.284 20 0 GDADMM COC[C@H](CCO)[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000914298613 660136900 /nfs/dbraw/zinc/13/69/00/660136900.db2.gz BSHGCZNIQSBZOG-QMMMGPOBSA-N -1 1 386.239 1.273 20 0 GDADMM COc1nn2cc(Br)cnc2c1S(=O)(=O)[N-][C@H]1[C@@H]2CCC[C@@H]21 ZINC000915059234 660160140 /nfs/dbraw/zinc/16/01/40/660160140.db2.gz VWJGJBGXCQIFPK-MYJAWHEDSA-N -1 1 387.259 1.577 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2CCC(=O)N[C@@H]2C)c1F ZINC000915226844 660165223 /nfs/dbraw/zinc/16/52/23/660165223.db2.gz ZXKXAGCJTFCHQF-APPZFPTMSA-N -1 1 395.250 1.542 20 0 GDADMM CS(=O)(=O)c1cc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)ccc1F ZINC000145614070 677676677 /nfs/dbraw/zinc/67/66/77/677676677.db2.gz BWNSQJSNMFQCML-UHFFFAOYSA-N -1 1 389.386 1.520 20 0 GDADMM Cc1nncn1CC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000390980996 677677784 /nfs/dbraw/zinc/67/77/84/677677784.db2.gz FKRIAFAJUQOCGJ-UHFFFAOYSA-N -1 1 390.219 1.236 20 0 GDADMM O=C(c1ccc(C2SCCS2)cc1)N1CCC(O)(c2nn[n-]n2)CC1 ZINC000798148712 677679276 /nfs/dbraw/zinc/67/92/76/677679276.db2.gz OFFNEVZVFAZUPW-UHFFFAOYSA-N -1 1 377.495 1.802 20 0 GDADMM O=C([O-])C1(NC(=O)NCCCCN2CCN(c3ncccn3)CC2)CCCC1 ZINC000780554327 939132506 /nfs/dbraw/zinc/13/25/06/939132506.db2.gz PYQBTEJAEXRROB-UHFFFAOYSA-N -1 1 390.488 1.075 20 0 GDADMM CC(C)CN1CCO[C@H](CNC(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)C1 ZINC000908757878 939314369 /nfs/dbraw/zinc/31/43/69/939314369.db2.gz DPYJJCWQVKVZIO-CJNGLKHVSA-N -1 1 385.411 1.747 20 0 GDADMM O=C([O-])[C@@H](NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)[C@H]1CCCOC1 ZINC000908775022 939319973 /nfs/dbraw/zinc/31/99/73/939319973.db2.gz AWPMTQIDYXKHMC-YJBOKZPZSA-N -1 1 393.459 1.969 20 0 GDADMM CC(=O)N1CCc2ccccc2[C@H]1CC(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000819802699 945294162 /nfs/dbraw/zinc/29/41/62/945294162.db2.gz HLASLXCOSBXTHF-CYBMUJFWSA-N -1 1 383.437 1.798 20 0 GDADMM CC(=O)N1CCc2ccccc2[C@H]1CC(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000819802699 945294169 /nfs/dbraw/zinc/29/41/69/945294169.db2.gz HLASLXCOSBXTHF-CYBMUJFWSA-N -1 1 383.437 1.798 20 0 GDADMM COC(=O)c1cc(CN[C@@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)cn1C ZINC001610976881 970824319 /nfs/dbraw/zinc/82/43/19/970824319.db2.gz UDJIJFBQRRNGFJ-WBVHZDCISA-N -1 1 385.420 1.328 20 0 GDADMM CCN(C(=O)c1cnccn1)[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571261132 945423290 /nfs/dbraw/zinc/42/32/90/945423290.db2.gz AWRBRZCLZDZGAW-LLVKDONJSA-N -1 1 385.457 1.163 20 0 GDADMM Cc1nsc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2ccoc2)C3)c1-c1nn[n-]n1 ZINC001571262394 945436606 /nfs/dbraw/zinc/43/66/06/945436606.db2.gz ROAAJIPHNNGDIE-UPJWGTAASA-N -1 1 385.453 1.693 20 0 GDADMM C[C@@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)Cc1cncs1 ZINC001571262761 945441973 /nfs/dbraw/zinc/44/19/73/945441973.db2.gz XCPOTOWJWXFKKF-GHMZBOCLSA-N -1 1 385.457 1.147 20 0 GDADMM C[C@@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)Cc1cncs1 ZINC001571262761 945441978 /nfs/dbraw/zinc/44/19/78/945441978.db2.gz XCPOTOWJWXFKKF-GHMZBOCLSA-N -1 1 385.457 1.147 20 0 GDADMM C[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CN1C(=O)CCc1nccs1 ZINC001571262802 945443179 /nfs/dbraw/zinc/44/31/79/945443179.db2.gz YLSKMJQSMAKRAQ-QWRGUYRKSA-N -1 1 385.457 1.147 20 0 GDADMM C[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CN1C(=O)CCc1nccs1 ZINC001571262802 945443180 /nfs/dbraw/zinc/44/31/80/945443180.db2.gz YLSKMJQSMAKRAQ-QWRGUYRKSA-N -1 1 385.457 1.147 20 0 GDADMM Cc1cc(C(=O)N2C[C@@H](C)[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)ns1 ZINC001571262945 945446500 /nfs/dbraw/zinc/44/65/00/945446500.db2.gz CUYRHXRSEKFYSX-KOLCDFICSA-N -1 1 385.457 1.242 20 0 GDADMM Cc1cc(C(=O)N2C[C@@H](C)[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)ns1 ZINC001571262945 945446507 /nfs/dbraw/zinc/44/65/07/945446507.db2.gz CUYRHXRSEKFYSX-KOLCDFICSA-N -1 1 385.457 1.242 20 0 GDADMM Cc1ncc(C(=O)NC2(C)CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)s1 ZINC001571263107 945450005 /nfs/dbraw/zinc/45/00/05/945450005.db2.gz HOBLELNHJNRTHI-UHFFFAOYSA-N -1 1 385.457 1.211 20 0 GDADMM Cc1ncc(C(=O)NC2(C)CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)s1 ZINC001571263107 945450012 /nfs/dbraw/zinc/45/00/12/945450012.db2.gz HOBLELNHJNRTHI-UHFFFAOYSA-N -1 1 385.457 1.211 20 0 GDADMM Cc1nsc(NC[C@H]2CC[C@H](NC(=O)c3cccnn3)C2)c1-c1nn[n-]n1 ZINC001571263658 945463672 /nfs/dbraw/zinc/46/36/72/945463672.db2.gz VXHJFXNAMJZUON-QWRGUYRKSA-N -1 1 385.457 1.432 20 0 GDADMM Cc1nc(C(=O)N2C[C@@H](C)[C@H](Nc3nccnc3-c3nnn[n-]3)C2)sc1C ZINC001571263679 945464150 /nfs/dbraw/zinc/46/41/50/945464150.db2.gz WLOOCBZIIFLSKH-LDYMZIIASA-N -1 1 385.457 1.303 20 0 GDADMM Cc1nc(C(=O)N2C[C@@H](C)[C@H](Nc3nccnc3-c3nn[n-]n3)C2)sc1C ZINC001571263679 945464159 /nfs/dbraw/zinc/46/41/59/945464159.db2.gz WLOOCBZIIFLSKH-LDYMZIIASA-N -1 1 385.457 1.303 20 0 GDADMM Cc1nsc(C)c1C(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571263687 945466228 /nfs/dbraw/zinc/46/62/28/945466228.db2.gz WSLQYWRGMVTTCQ-LLVKDONJSA-N -1 1 385.457 1.447 20 0 GDADMM Cc1nsc(C)c1C(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571263687 945466230 /nfs/dbraw/zinc/46/62/30/945466230.db2.gz WSLQYWRGMVTTCQ-LLVKDONJSA-N -1 1 385.457 1.447 20 0 GDADMM CN(C(=O)c1ccc(Cl)cn1)C1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571265449 945511111 /nfs/dbraw/zinc/51/11/11/945511111.db2.gz KABFAPKOYDYSKM-UHFFFAOYSA-N -1 1 385.819 1.420 20 0 GDADMM CN(C(=O)c1ccc(Cl)cn1)C1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571265449 945511116 /nfs/dbraw/zinc/51/11/16/945511116.db2.gz KABFAPKOYDYSKM-UHFFFAOYSA-N -1 1 385.819 1.420 20 0 GDADMM CN(C(=O)c1cc(F)ccc1F)C1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571267144 945562474 /nfs/dbraw/zinc/56/24/74/945562474.db2.gz KPOIHXYZQGSMQM-UHFFFAOYSA-N -1 1 386.366 1.650 20 0 GDADMM CN(C(=O)c1cc(F)ccc1F)C1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571267144 945562484 /nfs/dbraw/zinc/56/24/84/945562484.db2.gz KPOIHXYZQGSMQM-UHFFFAOYSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@@H](c1ccccc1)[C@@H](NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1)C(N)=O ZINC001571267477 945571828 /nfs/dbraw/zinc/57/18/28/945571828.db2.gz WLBLBYOFDHTYCF-BJOHPYRUSA-N -1 1 386.362 1.532 20 0 GDADMM C[C@@H](c1ccccc1)[C@@H](NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1)C(N)=O ZINC001571267477 945571834 /nfs/dbraw/zinc/57/18/34/945571834.db2.gz WLBLBYOFDHTYCF-BJOHPYRUSA-N -1 1 386.362 1.532 20 0 GDADMM C[C@H](Nc1nccnc1-c1nnn[n-]1)[C@@H]1CCCCN1C(=O)c1n[nH]cc1F ZINC001571268792 945603657 /nfs/dbraw/zinc/60/36/57/945603657.db2.gz XFNCBRJOHMUEAP-ONGXEEELSA-N -1 1 386.395 1.014 20 0 GDADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)[C@@H]1CCCCN1C(=O)c1n[nH]cc1F ZINC001571268792 945603663 /nfs/dbraw/zinc/60/36/63/945603663.db2.gz XFNCBRJOHMUEAP-ONGXEEELSA-N -1 1 386.395 1.014 20 0 GDADMM O=C([C@H]1CC[C@H](F)C1)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571269176 945613326 /nfs/dbraw/zinc/61/33/26/945613326.db2.gz RCFJCAPFYKWSKF-XDQVBPFNSA-N -1 1 386.435 1.365 20 0 GDADMM O=C([C@H]1CC[C@H](F)C1)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571269176 945613337 /nfs/dbraw/zinc/61/33/37/945613337.db2.gz RCFJCAPFYKWSKF-XDQVBPFNSA-N -1 1 386.435 1.365 20 0 GDADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H]1CN(C(=O)c2ccsc2)CCO1 ZINC001571270220 945633309 /nfs/dbraw/zinc/63/33/09/945633309.db2.gz NUIHTUNXASQDTQ-GXFFZTMASA-N -1 1 386.441 1.060 20 0 GDADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H]1CN(C(=O)c2ccsc2)CCO1 ZINC001571270220 945633316 /nfs/dbraw/zinc/63/33/16/945633316.db2.gz NUIHTUNXASQDTQ-GXFFZTMASA-N -1 1 386.441 1.060 20 0 GDADMM CCN(C[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1)CC(F)(F)F ZINC000821197322 945651037 /nfs/dbraw/zinc/65/10/37/945651037.db2.gz IXXBLNRKWBKFSZ-LLVKDONJSA-N -1 1 383.378 1.608 20 0 GDADMM CCN(C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1)CC(F)(F)F ZINC000821197322 945651046 /nfs/dbraw/zinc/65/10/46/945651046.db2.gz IXXBLNRKWBKFSZ-LLVKDONJSA-N -1 1 383.378 1.608 20 0 GDADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@H]1CCN(C(=O)CC[C@H]2CCCCO2)C1 ZINC001571272647 945668041 /nfs/dbraw/zinc/66/80/41/945668041.db2.gz GXFAQGHPNBAWSF-UONOGXRCSA-N -1 1 386.460 1.043 20 0 GDADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@H]1CCN(C(=O)CC[C@H]2CCCCO2)C1 ZINC001571272647 945668047 /nfs/dbraw/zinc/66/80/47/945668047.db2.gz GXFAQGHPNBAWSF-UONOGXRCSA-N -1 1 386.460 1.043 20 0 GDADMM COC1CC(C(=O)N2CCCC[C@@H]2CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571273369 945686179 /nfs/dbraw/zinc/68/61/79/945686179.db2.gz WLKVICGSRXMSEW-ROKHWSDSSA-N -1 1 386.460 1.265 20 0 GDADMM COC1CC(C(=O)N2CCCC[C@@H]2CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571273369 945686181 /nfs/dbraw/zinc/68/61/81/945686181.db2.gz WLKVICGSRXMSEW-ROKHWSDSSA-N -1 1 386.460 1.265 20 0 GDADMM O=C(c1c(F)cncc1F)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001571274767 945698961 /nfs/dbraw/zinc/69/89/61/945698961.db2.gz KQERXKHEIVSEGB-UHFFFAOYSA-N -1 1 387.354 1.047 20 0 GDADMM O=C(c1c(F)cncc1F)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001571274767 945698965 /nfs/dbraw/zinc/69/89/65/945698965.db2.gz KQERXKHEIVSEGB-UHFFFAOYSA-N -1 1 387.354 1.047 20 0 GDADMM C[C@H]1CN(C(=O)COC2CCCCC2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571275940 945720358 /nfs/dbraw/zinc/72/03/58/945720358.db2.gz GCITVXQOYXTFDG-SWLSCSKDSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H]1CN(C(=O)COC2CCCCC2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571275940 945720366 /nfs/dbraw/zinc/72/03/66/945720366.db2.gz GCITVXQOYXTFDG-SWLSCSKDSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CCN(C(=O)C[C@H]2CCCO2)CC1 ZINC001571277598 945745424 /nfs/dbraw/zinc/74/54/24/945745424.db2.gz MKKXZNKYXBDUJG-GXTWGEPZSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CCN(C(=O)C[C@H]2CCCO2)CC1 ZINC001571277598 945745429 /nfs/dbraw/zinc/74/54/29/945745429.db2.gz MKKXZNKYXBDUJG-GXTWGEPZSA-N -1 1 386.460 1.265 20 0 GDADMM CC1(C(=O)N2CCC[C@](CO)(Nc3cnc(-c4nnn[n-]4)cn3)C2)CCCC1 ZINC001571279381 945777843 /nfs/dbraw/zinc/77/78/43/945777843.db2.gz WBHPRWIRKWQPFJ-SFHVURJKSA-N -1 1 386.460 1.002 20 0 GDADMM CC1(C(=O)N2CCC[C@](CO)(Nc3cnc(-c4nn[n-]n4)cn3)C2)CCCC1 ZINC001571279381 945777850 /nfs/dbraw/zinc/77/78/50/945777850.db2.gz WBHPRWIRKWQPFJ-SFHVURJKSA-N -1 1 386.460 1.002 20 0 GDADMM CC[C@H]1CN(C(=O)C2CCOCC2)CC[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571280037 945795230 /nfs/dbraw/zinc/79/52/30/945795230.db2.gz ZWEXLZCXNHYRNW-JSGCOSHPSA-N -1 1 386.460 1.122 20 0 GDADMM CC[C@H]1CN(C(=O)C2CCOCC2)CC[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571280037 945795240 /nfs/dbraw/zinc/79/52/40/945795240.db2.gz ZWEXLZCXNHYRNW-JSGCOSHPSA-N -1 1 386.460 1.122 20 0 GDADMM Cc1c[nH]nc1C(=O)N1CCC[C@@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571280948 945795554 /nfs/dbraw/zinc/79/55/54/945795554.db2.gz AFDWMWCDZXCLNK-NSHDSACASA-N -1 1 387.473 1.627 20 0 GDADMM Cc1nc[nH]c1C(=O)NC[C@@H]1CCCCN1c1snc(C)c1-c1nn[n-]n1 ZINC001571282419 945841312 /nfs/dbraw/zinc/84/13/12/945841312.db2.gz XWRGCHRDQUUVNL-NSHDSACASA-N -1 1 387.473 1.452 20 0 GDADMM C[C@H]1[C@@H](O)CCN1C(=O)NC1CCC(Oc2ncccc2-c2nn[n-]n2)CC1 ZINC001571282942 945868918 /nfs/dbraw/zinc/86/89/18/945868918.db2.gz WGMMXUJFSWGWCA-CLTVBZQCSA-N -1 1 387.444 1.116 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(Cl)[nH]2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571283560 945885608 /nfs/dbraw/zinc/88/56/08/945885608.db2.gz GHJAVCJWWSJULE-NXEZZACHSA-N -1 1 387.835 1.458 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(Cl)[nH]2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571283560 945885623 /nfs/dbraw/zinc/88/56/23/945885623.db2.gz GHJAVCJWWSJULE-NXEZZACHSA-N -1 1 387.835 1.458 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)c1cc(Cl)c[nH]1)c1cncc(-c2nnn[n-]2)n1 ZINC001571284388 945900658 /nfs/dbraw/zinc/90/06/58/945900658.db2.gz PJBLFMQAJSJQSP-LLVKDONJSA-N -1 1 387.835 1.379 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)c1cc(Cl)c[nH]1)c1cncc(-c2nn[n-]n2)n1 ZINC001571284388 945900665 /nfs/dbraw/zinc/90/06/65/945900665.db2.gz PJBLFMQAJSJQSP-LLVKDONJSA-N -1 1 387.835 1.379 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Oc1ccc2c[nH]nc2c1 ZINC000822010191 945921338 /nfs/dbraw/zinc/92/13/38/945921338.db2.gz RNNTXPDYLGFFQF-UHFFFAOYSA-N -1 1 379.380 1.999 20 0 GDADMM O=C(NC[C@H](n1cncn1)C(F)(F)F)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001571285620 945923817 /nfs/dbraw/zinc/92/38/17/945923817.db2.gz KACBMJJBYYAFRA-VIFPVBQESA-N -1 1 388.260 1.270 20 0 GDADMM O=C(NC[C@H](n1cncn1)C(F)(F)F)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001571285620 945923826 /nfs/dbraw/zinc/92/38/26/945923826.db2.gz KACBMJJBYYAFRA-VIFPVBQESA-N -1 1 388.260 1.270 20 0 GDADMM O=C(N[C@@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cc(Cl)c[nH]1 ZINC001571285837 945927404 /nfs/dbraw/zinc/92/74/04/945927404.db2.gz PMHWEEXGXQOYCF-GHMZBOCLSA-N -1 1 387.835 1.791 20 0 GDADMM O=C(N[C@@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cc(Cl)c[nH]1 ZINC001571285837 945927412 /nfs/dbraw/zinc/92/74/12/945927412.db2.gz PMHWEEXGXQOYCF-GHMZBOCLSA-N -1 1 387.835 1.791 20 0 GDADMM Cc1nsc(N[C@@H]2C[C@H](C)N(C(=O)c3ccncc3F)C2)c1-c1nn[n-]n1 ZINC001571286178 945940797 /nfs/dbraw/zinc/94/07/97/945940797.db2.gz AEDMECBIAOCWOG-WCBMZHEXSA-N -1 1 388.432 1.881 20 0 GDADMM Cc1nsc(N[C@H]2CCCN(C(=O)c3ncccc3F)C2)c1-c1nn[n-]n1 ZINC001571286267 945943370 /nfs/dbraw/zinc/94/33/70/945943370.db2.gz CMVFARLOKHYNNF-JTQLQIEISA-N -1 1 388.432 1.882 20 0 GDADMM C[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(F)s1 ZINC001571286680 945954708 /nfs/dbraw/zinc/95/47/08/945954708.db2.gz ONRCLLDQDRYTCV-VHSXEESVSA-N -1 1 388.432 1.384 20 0 GDADMM CN(C[C@@H]1CCCCN1C(=O)C1(F)CCCC1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571289524 946010823 /nfs/dbraw/zinc/01/08/23/946010823.db2.gz GSTDJAHOELWRSV-ZDUSSCGKSA-N -1 1 388.451 1.756 20 0 GDADMM CN(C[C@@H]1CCCCN1C(=O)C1(F)CCCC1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571289524 946010836 /nfs/dbraw/zinc/01/08/36/946010836.db2.gz GSTDJAHOELWRSV-ZDUSSCGKSA-N -1 1 388.451 1.756 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)[C@@H]2CCCN(C(=O)CC(C)(C)O)C2)n1 ZINC001571289914 946023970 /nfs/dbraw/zinc/02/39/70/946023970.db2.gz PPIKDNHQSZPZGC-QWHCGFSZSA-N -1 1 388.476 1.165 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)[C@@H]2CCCN(C(=O)CC(C)(C)O)C2)n1 ZINC001571289914 946023977 /nfs/dbraw/zinc/02/39/77/946023977.db2.gz PPIKDNHQSZPZGC-QWHCGFSZSA-N -1 1 388.476 1.165 20 0 GDADMM Cc1cnoc1C(=O)N1CCC[C@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571290045 946025062 /nfs/dbraw/zinc/02/50/62/946025062.db2.gz TYOAKLICNSWZQU-LLVKDONJSA-N -1 1 388.457 1.892 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@]2(C)CCN(C(=O)C3(F)CCCC3)C2)n1 ZINC001571290223 946034580 /nfs/dbraw/zinc/03/45/80/946034580.db2.gz YBJQGZULNVSSHU-KRWDZBQOSA-N -1 1 388.451 1.898 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@]2(C)CCN(C(=O)C3(F)CCCC3)C2)n1 ZINC001571290223 946034593 /nfs/dbraw/zinc/03/45/93/946034593.db2.gz YBJQGZULNVSSHU-KRWDZBQOSA-N -1 1 388.451 1.898 20 0 GDADMM O=C(c1cccc(Cl)c1F)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571290485 946044590 /nfs/dbraw/zinc/04/45/90/946044590.db2.gz GILWFOFRQIQVHF-VIFPVBQESA-N -1 1 388.794 1.198 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H]1CCN(C(=O)c2ccoc2Cl)C1 ZINC001571290856 946059495 /nfs/dbraw/zinc/05/94/95/946059495.db2.gz QVEKXYCOSPYLDL-ZJUUUORDSA-N -1 1 388.819 1.866 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H]1CCN(C(=O)c2ccoc2Cl)C1 ZINC001571290856 946059508 /nfs/dbraw/zinc/05/95/08/946059508.db2.gz QVEKXYCOSPYLDL-ZJUUUORDSA-N -1 1 388.819 1.866 20 0 GDADMM Cc1[nH]nc(Cl)c1C(=O)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571290983 946062415 /nfs/dbraw/zinc/06/24/15/946062415.db2.gz WQHSLDBVIHKEAO-VIFPVBQESA-N -1 1 388.823 1.058 20 0 GDADMM Cc1[nH]nc(Cl)c1C(=O)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571290983 946062427 /nfs/dbraw/zinc/06/24/27/946062427.db2.gz WQHSLDBVIHKEAO-VIFPVBQESA-N -1 1 388.823 1.058 20 0 GDADMM C[C@@H]1CC[C@@H](NC(=O)c2occc2Cl)CN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571290935 946062555 /nfs/dbraw/zinc/06/25/55/946062555.db2.gz UYMYUVLYNQQFPJ-NXEZZACHSA-N -1 1 388.819 1.690 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCCC[C@H]1c1ncccn1 ZINC001571292232 946090334 /nfs/dbraw/zinc/09/03/34/946090334.db2.gz WCGIBHQNAQGWEF-AWEZNQCLSA-N -1 1 389.416 1.712 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OCC(=O)C1CCC1 ZINC000822458057 946095534 /nfs/dbraw/zinc/09/55/34/946095534.db2.gz CDEVJPDNNSTRKP-UHFFFAOYSA-N -1 1 383.412 1.371 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OCC(=O)C1CCC1 ZINC000822458057 946095545 /nfs/dbraw/zinc/09/55/45/946095545.db2.gz CDEVJPDNNSTRKP-UHFFFAOYSA-N -1 1 383.412 1.371 20 0 GDADMM COc1ccc(C(=O)NC2CCN(c3snc(C)c3-c3nn[n-]n3)CC2)o1 ZINC001571293446 946106080 /nfs/dbraw/zinc/10/60/80/946106080.db2.gz ISKDPTAQZJCXTR-UHFFFAOYSA-N -1 1 389.441 1.632 20 0 GDADMM Cc1nsc(N2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3CCOC3)C2)c1-c1nn[n-]n1 ZINC001571294091 946125559 /nfs/dbraw/zinc/12/55/59/946125559.db2.gz AFLBGGLCBPNWOZ-PEBVRCNWSA-N -1 1 389.485 1.143 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1)[C@@H]1CC1(F)F ZINC001571295283 946159902 /nfs/dbraw/zinc/15/99/02/946159902.db2.gz WAZLYRAQELDCBQ-XVMARJQXSA-N -1 1 389.819 1.939 20 0 GDADMM O=C(c1cccc2c1CCC2)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571298016 946204056 /nfs/dbraw/zinc/20/40/56/946204056.db2.gz HFRWPILAIVIGCL-AWEZNQCLSA-N -1 1 390.451 1.862 20 0 GDADMM O=C(c1cccc2c1CCC2)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571298016 946204065 /nfs/dbraw/zinc/20/40/65/946204065.db2.gz HFRWPILAIVIGCL-AWEZNQCLSA-N -1 1 390.451 1.862 20 0 GDADMM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1NC(=O)C1(c2ccccc2)CC1 ZINC001571298931 946232770 /nfs/dbraw/zinc/23/27/70/946232770.db2.gz LYYWYNUNTDDLKC-CZUORRHYSA-N -1 1 390.451 1.329 20 0 GDADMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1NC(=O)C1(c2ccccc2)CC1 ZINC001571298931 946232783 /nfs/dbraw/zinc/23/27/83/946232783.db2.gz LYYWYNUNTDDLKC-CZUORRHYSA-N -1 1 390.451 1.329 20 0 GDADMM C[C@@]1(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)CCc2ccccc21 ZINC001571298947 946234670 /nfs/dbraw/zinc/23/46/70/946234670.db2.gz MFSWUXQUABHOFM-JLTOFOAXSA-N -1 1 390.451 1.574 20 0 GDADMM C[C@@]1(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)CCc2ccccc21 ZINC001571298947 946234679 /nfs/dbraw/zinc/23/46/79/946234679.db2.gz MFSWUXQUABHOFM-JLTOFOAXSA-N -1 1 390.451 1.574 20 0 GDADMM Cc1nsc(N2CC[C@H](NC(=O)c3cc(F)c[nH]3)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571299169 946240592 /nfs/dbraw/zinc/24/05/92/946240592.db2.gz ORGGPOHDIAOHFN-KCJUWKMLSA-N -1 1 390.448 1.886 20 0 GDADMM Cc1ncsc1C(=O)N1CC[C@@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571299581 946253996 /nfs/dbraw/zinc/25/39/96/946253996.db2.gz XTRJATPGPHHRIC-JTQLQIEISA-N -1 1 390.498 1.971 20 0 GDADMM C[C@]1(NC(=O)c2cccnc2)CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571299632 946257523 /nfs/dbraw/zinc/25/75/23/946257523.db2.gz NVDLZNWGFUHTOU-HNNXBMFYSA-N -1 1 390.860 1.770 20 0 GDADMM C[C@]1(NC(=O)c2cccnc2)CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571299632 946257534 /nfs/dbraw/zinc/25/75/34/946257534.db2.gz NVDLZNWGFUHTOU-HNNXBMFYSA-N -1 1 390.860 1.770 20 0 GDADMM Cc1ccccc1C1(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001571299828 946264130 /nfs/dbraw/zinc/26/41/30/946264130.db2.gz VYMIQXSBHRMZSD-CQSZACIVSA-N -1 1 390.451 1.392 20 0 GDADMM Cc1ccccc1C1(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001571299828 946264136 /nfs/dbraw/zinc/26/41/36/946264136.db2.gz VYMIQXSBHRMZSD-CQSZACIVSA-N -1 1 390.451 1.392 20 0 GDADMM Cc1ccc(C(=O)N[C@]23CCC[C@@H]2N(c2cnc(-c4nnn[n-]4)cn2)CC3)cn1 ZINC001571302530 946305440 /nfs/dbraw/zinc/30/54/40/946305440.db2.gz AEQZOFVNRFMODT-KXBFYZLASA-N -1 1 391.439 1.292 20 0 GDADMM Cc1ccc(C(=O)N[C@]23CCC[C@@H]2N(c2cnc(-c4nn[n-]n4)cn2)CC3)cn1 ZINC001571302530 946305451 /nfs/dbraw/zinc/30/54/51/946305451.db2.gz AEQZOFVNRFMODT-KXBFYZLASA-N -1 1 391.439 1.292 20 0 GDADMM O=C(NC[C@H]1C[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1)c1ncccn1 ZINC001571305424 946360069 /nfs/dbraw/zinc/36/00/69/946360069.db2.gz AVEKWSHXDHGTFF-ZKCHVHJHSA-N -1 1 391.848 1.387 20 0 GDADMM O=C(NC[C@H]1C[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1)c1ncccn1 ZINC001571305424 946360083 /nfs/dbraw/zinc/36/00/83/946360083.db2.gz AVEKWSHXDHGTFF-ZKCHVHJHSA-N -1 1 391.848 1.387 20 0 GDADMM CN(C(=O)c1cccnn1)C1CC(Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571305538 946366919 /nfs/dbraw/zinc/36/69/19/946366919.db2.gz DSKKZOZAHPVHLT-UHFFFAOYSA-N -1 1 391.848 1.482 20 0 GDADMM CN(C(=O)c1cccnn1)C1CC(Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571305538 946366938 /nfs/dbraw/zinc/36/69/38/946366938.db2.gz DSKKZOZAHPVHLT-UHFFFAOYSA-N -1 1 391.848 1.482 20 0 GDADMM O=C(Cc1ccco1)N[C@@H]1[C@H]2CN(c3nc(-c4nn[n-]n4)c(Cl)s3)C[C@H]21 ZINC001571305530 946367537 /nfs/dbraw/zinc/36/75/37/946367537.db2.gz DGPASSLRTMUMPX-JZYVYDRUSA-N -1 1 391.844 1.363 20 0 GDADMM O=C(c1csc(Cl)n1)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571305576 946367779 /nfs/dbraw/zinc/36/77/79/946367779.db2.gz GCYRKXNFCSNNCZ-QMMMGPOBSA-N -1 1 391.848 1.483 20 0 GDADMM O=C(c1csc(Cl)n1)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571305576 946367791 /nfs/dbraw/zinc/36/77/91/946367791.db2.gz GCYRKXNFCSNNCZ-QMMMGPOBSA-N -1 1 391.848 1.483 20 0 GDADMM Cc1nsc(NC2CCN(C(=O)[C@@H](C)[C@H]3CCCO3)CC2)c1-c1nn[n-]n1 ZINC001571305894 946377609 /nfs/dbraw/zinc/37/76/09/946377609.db2.gz NFGWFGUQQRSHJH-GXFFZTMASA-N -1 1 391.501 1.850 20 0 GDADMM Cc1nsc(NC2CCC(N(C)C(=O)[C@@H]3CCCO3)CC2)c1-c1nn[n-]n1 ZINC001571306396 946399546 /nfs/dbraw/zinc/39/95/46/946399546.db2.gz VKJCKFLOOBGSRB-BPCQOVAHSA-N -1 1 391.501 1.992 20 0 GDADMM Cc1nsc(N2CCC(CNC(=O)c3csnn3)CC2)c1-c1nn[n-]n1 ZINC001571306701 946407079 /nfs/dbraw/zinc/40/70/79/946407079.db2.gz ZULFQEJZCTYCEV-UHFFFAOYSA-N -1 1 391.486 1.130 20 0 GDADMM O=C(c1cscc1C(F)F)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571307550 946422938 /nfs/dbraw/zinc/42/29/38/946422938.db2.gz DRWMTAXYCFDPHY-UHFFFAOYSA-N -1 1 392.395 1.618 20 0 GDADMM O=C(c1cscc1C(F)F)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571307550 946422942 /nfs/dbraw/zinc/42/29/42/946422942.db2.gz DRWMTAXYCFDPHY-UHFFFAOYSA-N -1 1 392.395 1.618 20 0 GDADMM CC[C@@H]1CN(C(=O)C2CC(F)(F)C2)CC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571308605 946436213 /nfs/dbraw/zinc/43/62/13/946436213.db2.gz SEQLBQULGIYSGP-ZYHUDNBSSA-N -1 1 392.414 1.741 20 0 GDADMM CC[C@@H]1CN(C(=O)C2CC(F)(F)C2)CC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571308605 946436217 /nfs/dbraw/zinc/43/62/17/946436217.db2.gz SEQLBQULGIYSGP-ZYHUDNBSSA-N -1 1 392.414 1.741 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC(N(C)C(=O)[C@@H]3CC3(F)F)CC2)n1 ZINC001571309173 946440394 /nfs/dbraw/zinc/44/03/94/946440394.db2.gz XEALUDVTZJQDTB-NSHDSACASA-N -1 1 392.414 1.302 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC(N(C)C(=O)[C@@H]3CC3(F)F)CC2)n1 ZINC001571309173 946440398 /nfs/dbraw/zinc/44/03/98/946440398.db2.gz XEALUDVTZJQDTB-NSHDSACASA-N -1 1 392.414 1.302 20 0 GDADMM O=C([C@@H]1CCc2ccccc2O1)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571309932 946456951 /nfs/dbraw/zinc/45/69/51/946456951.db2.gz PTCKJKYMBHZXMQ-CJNGLKHVSA-N -1 1 392.423 1.063 20 0 GDADMM O=C([C@@H]1CCc2ccccc2O1)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571309932 946456958 /nfs/dbraw/zinc/45/69/58/946456958.db2.gz PTCKJKYMBHZXMQ-CJNGLKHVSA-N -1 1 392.423 1.063 20 0 GDADMM C[C@]1(NC(=O)c2ccc3c(c2)COC3)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571309938 946457180 /nfs/dbraw/zinc/45/71/80/946457180.db2.gz PWMNXGCHCXFVKO-IBGZPJMESA-N -1 1 392.423 1.086 20 0 GDADMM C[C@]1(NC(=O)c2ccc3c(c2)COC3)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571309938 946457183 /nfs/dbraw/zinc/45/71/83/946457183.db2.gz PWMNXGCHCXFVKO-IBGZPJMESA-N -1 1 392.423 1.086 20 0 GDADMM O=C(NCC1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1)C1CCC(F)(F)CC1 ZINC001571310198 946464255 /nfs/dbraw/zinc/46/42/55/946464255.db2.gz YALGFKMOQKLZTD-UHFFFAOYSA-N -1 1 392.414 1.211 20 0 GDADMM COc1nscc1S(=O)(=O)[N-][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC001571311453 946487122 /nfs/dbraw/zinc/48/71/22/946487122.db2.gz XUXABZXWGUHUFP-GFCCVEGCSA-N -1 1 392.466 1.688 20 0 GDADMM CCc1ccccc1CC(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571312984 946508581 /nfs/dbraw/zinc/50/85/81/946508581.db2.gz GVXBBVORUGOPBB-CXAGYDPISA-N -1 1 392.467 1.721 20 0 GDADMM CCc1ccccc1CC(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571312984 946508589 /nfs/dbraw/zinc/50/85/89/946508589.db2.gz GVXBBVORUGOPBB-CXAGYDPISA-N -1 1 392.467 1.721 20 0 GDADMM O=C(c1ccccc1O)N1CCC[C@H]2[C@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001571313624 946527380 /nfs/dbraw/zinc/52/73/80/946527380.db2.gz UWYDWQQNTWPRKB-LSDHHAIUSA-N -1 1 392.423 1.246 20 0 GDADMM O=C(c1ccccc1O)N1CCC[C@H]2[C@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001571313624 946527385 /nfs/dbraw/zinc/52/73/85/946527385.db2.gz UWYDWQQNTWPRKB-LSDHHAIUSA-N -1 1 392.423 1.246 20 0 GDADMM O=C(c1ncccc1[O-])N1CC[C@H]2[C@H](CCN2c2ccc(-c3nn[nH]n3)cn2)C1 ZINC001571313897 946535043 /nfs/dbraw/zinc/53/50/43/946535043.db2.gz XDNYHXRYXXFNMS-KGLIPLIRSA-N -1 1 392.423 1.103 20 0 GDADMM CC(=O)Nc1cc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)c(F)cc1F ZINC000824000080 946537521 /nfs/dbraw/zinc/53/75/21/946537521.db2.gz SVVZAPPGFILUMW-UHFFFAOYSA-N -1 1 377.311 1.581 20 0 GDADMM CC(=O)Nc1cc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)c(F)cc1F ZINC000824000080 946537535 /nfs/dbraw/zinc/53/75/35/946537535.db2.gz SVVZAPPGFILUMW-UHFFFAOYSA-N -1 1 377.311 1.581 20 0 GDADMM CCc1ccccc1CC(=O)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571314060 946540312 /nfs/dbraw/zinc/54/03/12/946540312.db2.gz ZJQRDYDCUYREKH-UHFFFAOYSA-N -1 1 392.467 1.501 20 0 GDADMM CCc1ccccc1CC(=O)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571314060 946540329 /nfs/dbraw/zinc/54/03/29/946540329.db2.gz ZJQRDYDCUYREKH-UHFFFAOYSA-N -1 1 392.467 1.501 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)c(C)c1 ZINC001571314989 946546627 /nfs/dbraw/zinc/54/66/27/946546627.db2.gz GAWDBNZIOOXIGV-GDBMZVCRSA-N -1 1 392.467 1.706 20 0 GDADMM Cc1cccc(C(=O)NCC2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)CC2)c1 ZINC001571315992 946560305 /nfs/dbraw/zinc/56/03/05/946560305.db2.gz QWQADZULUSEHCB-UHFFFAOYSA-N -1 1 392.467 1.920 20 0 GDADMM Cc1cccc(C(=O)NCC2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)CC2)c1 ZINC001571315992 946560308 /nfs/dbraw/zinc/56/03/08/946560308.db2.gz QWQADZULUSEHCB-UHFFFAOYSA-N -1 1 392.467 1.920 20 0 GDADMM Cc1cc(C)cc(C(=O)NC[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571315978 946561606 /nfs/dbraw/zinc/56/16/06/946561606.db2.gz QTHMRCUBXIMTFI-OAHLLOKOSA-N -1 1 392.467 1.920 20 0 GDADMM Cc1cc(C)c(CC(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c(C)c1 ZINC001571316002 946563519 /nfs/dbraw/zinc/56/35/19/946563519.db2.gz RFOHPMWUMHAXAO-OAHLLOKOSA-N -1 1 392.467 1.837 20 0 GDADMM Cc1cc(C)c(CC(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c(C)c1 ZINC001571316002 946563529 /nfs/dbraw/zinc/56/35/29/946563529.db2.gz RFOHPMWUMHAXAO-OAHLLOKOSA-N -1 1 392.467 1.837 20 0 GDADMM Cc1cccc(CC(=O)N2CC[C@H](CCNc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571316799 946589079 /nfs/dbraw/zinc/58/90/79/946589079.db2.gz MXMRNGKCIDDNEB-HNNXBMFYSA-N -1 1 392.467 1.858 20 0 GDADMM Cc1cccc(CC(=O)N2CC[C@H](CCNc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571316799 946589088 /nfs/dbraw/zinc/58/90/88/946589088.db2.gz MXMRNGKCIDDNEB-HNNXBMFYSA-N -1 1 392.467 1.858 20 0 GDADMM Cc1nsc(N[C@H]2C[C@@H](NC(=O)c3cc(Cl)cn3C)C2)c1-c1nn[n-]n1 ZINC001571317605 946617243 /nfs/dbraw/zinc/61/72/43/946617243.db2.gz OEDHNYQYCZGZFN-AOOOYVTPSA-N -1 1 392.876 1.996 20 0 GDADMM CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC001573546474 946810227 /nfs/dbraw/zinc/81/02/27/946810227.db2.gz AAGTZJQQTFUDHH-UHFFFAOYSA-N -1 1 378.439 1.365 20 0 GDADMM CCN(Cc1ccccc1NC(=O)Cc1noc(C)c1-c1nnn[n-]1)C(C)=O ZINC000825439924 947188319 /nfs/dbraw/zinc/18/83/19/947188319.db2.gz UCEPBAVDPBSWLL-UHFFFAOYSA-N -1 1 383.412 1.713 20 0 GDADMM CCN(Cc1ccccc1NC(=O)Cc1noc(C)c1-c1nn[n-]n1)C(C)=O ZINC000825439924 947188328 /nfs/dbraw/zinc/18/83/28/947188328.db2.gz UCEPBAVDPBSWLL-UHFFFAOYSA-N -1 1 383.412 1.713 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)N[C@@H](c2ccccc2)C2CC2)c1-c1nn[n-]n1 ZINC000825565174 947225491 /nfs/dbraw/zinc/22/54/91/947225491.db2.gz NQVNWOJCYZUQAQ-INIZCTEOSA-N -1 1 395.423 1.507 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)N[C@H](C)c2ccccc2OC)c1-c1nn[n-]n1 ZINC000825565104 947226194 /nfs/dbraw/zinc/22/61/94/947226194.db2.gz LUWWEGZKHUKEDG-LLVKDONJSA-N -1 1 399.411 1.126 20 0 GDADMM C[C@@H](C(=O)N(C)[C@@H](C)CNc1nccnc1-c1nnn[n-]1)c1cccc(F)c1 ZINC001573586275 947281451 /nfs/dbraw/zinc/28/14/51/947281451.db2.gz NEAXGBKWOZALKX-NWDGAFQWSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@@H](C(=O)N(C)[C@@H](C)CNc1nccnc1-c1nn[n-]n1)c1cccc(F)c1 ZINC001573586275 947281457 /nfs/dbraw/zinc/28/14/57/947281457.db2.gz NEAXGBKWOZALKX-NWDGAFQWSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H](C)c1ccccc1F ZINC001573586586 947291943 /nfs/dbraw/zinc/29/19/43/947291943.db2.gz RFCQIRIZDMYWAL-NEPJUHHUSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H](C)c1ccccc1F ZINC001573586586 947291947 /nfs/dbraw/zinc/29/19/47/947291947.db2.gz RFCQIRIZDMYWAL-NEPJUHHUSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H](C)c1cccc(F)c1 ZINC001573587306 947307685 /nfs/dbraw/zinc/30/76/85/947307685.db2.gz ZHZQVIYJCUYHMY-RYUDHWBXSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H](C)c1cccc(F)c1 ZINC001573587306 947307696 /nfs/dbraw/zinc/30/76/96/947307696.db2.gz ZHZQVIYJCUYHMY-RYUDHWBXSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1cnc(-c2nnn[n-]2)cn1)c1ccco1 ZINC001573592069 947327905 /nfs/dbraw/zinc/32/79/05/947327905.db2.gz IKBMDJZKGDLWDT-LBPRGKRZSA-N -1 1 384.444 1.950 20 0 GDADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1cnc(-c2nn[n-]n2)cn1)c1ccco1 ZINC001573592069 947327919 /nfs/dbraw/zinc/32/79/19/947327919.db2.gz IKBMDJZKGDLWDT-LBPRGKRZSA-N -1 1 384.444 1.950 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccc(F)c(F)c1F ZINC000825935038 947376663 /nfs/dbraw/zinc/37/66/63/947376663.db2.gz SIRBDZUJSBLNKG-UHFFFAOYSA-N -1 1 380.334 1.294 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccc(F)c(F)c1F ZINC000825935038 947376676 /nfs/dbraw/zinc/37/66/76/947376676.db2.gz SIRBDZUJSBLNKG-UHFFFAOYSA-N -1 1 380.334 1.294 20 0 GDADMM COC(=O)[C@@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000826104572 947432063 /nfs/dbraw/zinc/43/20/63/947432063.db2.gz ZIMSCPCSZJNFKW-AWEZNQCLSA-N -1 1 390.787 1.390 20 0 GDADMM COC(=O)[C@@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000826104572 947432073 /nfs/dbraw/zinc/43/20/73/947432073.db2.gz ZIMSCPCSZJNFKW-AWEZNQCLSA-N -1 1 390.787 1.390 20 0 GDADMM C[C@H](C(=O)N(C)C[C@H](O)CNc1nc(-c2nn[n-]n2)c(Cl)s1)C1CC1 ZINC001573599580 947457651 /nfs/dbraw/zinc/45/76/51/947457651.db2.gz YHUQXISJJKHKFE-IONNQARKSA-N -1 1 385.881 1.254 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1)C1CCC1 ZINC001573613656 947566634 /nfs/dbraw/zinc/56/66/34/947566634.db2.gz FYNABDPVIDTVQJ-AEGPPILISA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1)C1CCC1 ZINC001573613656 947566639 /nfs/dbraw/zinc/56/66/39/947566639.db2.gz FYNABDPVIDTVQJ-AEGPPILISA-N -1 1 382.472 1.663 20 0 GDADMM COc1ccc(OC2CCN(C(=O)Cc3noc(C)c3-c3nnn[n-]3)CC2)cc1 ZINC000826210935 947615331 /nfs/dbraw/zinc/61/53/31/947615331.db2.gz KBJLQTWFFIABOM-UHFFFAOYSA-N -1 1 398.423 1.784 20 0 GDADMM COc1ccc(OC2CCN(C(=O)Cc3noc(C)c3-c3nn[n-]n3)CC2)cc1 ZINC000826210935 947615336 /nfs/dbraw/zinc/61/53/36/947615336.db2.gz KBJLQTWFFIABOM-UHFFFAOYSA-N -1 1 398.423 1.784 20 0 GDADMM COc1ccccc1N1CC[C@@H](NC(=O)Cc2noc(C)c2-c2nnn[n-]2)C1 ZINC000826220356 947654427 /nfs/dbraw/zinc/65/44/27/947654427.db2.gz LFZYLTBMHJELMQ-GFCCVEGCSA-N -1 1 383.412 1.109 20 0 GDADMM COc1ccccc1N1CC[C@@H](NC(=O)Cc2noc(C)c2-c2nn[n-]n2)C1 ZINC000826220356 947654437 /nfs/dbraw/zinc/65/44/37/947654437.db2.gz LFZYLTBMHJELMQ-GFCCVEGCSA-N -1 1 383.412 1.109 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001573358706 947668148 /nfs/dbraw/zinc/66/81/48/947668148.db2.gz ILIXGGNAQKECJB-OAHLLOKOSA-N -1 1 376.424 1.699 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001573358706 947668152 /nfs/dbraw/zinc/66/81/52/947668152.db2.gz ILIXGGNAQKECJB-OAHLLOKOSA-N -1 1 376.424 1.699 20 0 GDADMM C[C@H](C(=O)N1CC[C@](C)(CNc2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001573619961 947674695 /nfs/dbraw/zinc/67/46/95/947674695.db2.gz XTSCFSAIRRTSME-YMTOWFKASA-N -1 1 384.366 1.506 20 0 GDADMM C[C@H](C(=O)N1CC[C@](C)(CNc2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573619961 947674699 /nfs/dbraw/zinc/67/46/99/947674699.db2.gz XTSCFSAIRRTSME-YMTOWFKASA-N -1 1 384.366 1.506 20 0 GDADMM Cc1c(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cnn1C(C)(C)C ZINC000826234437 947687785 /nfs/dbraw/zinc/68/77/85/947687785.db2.gz WJZXYAMVSODHKJ-UHFFFAOYSA-N -1 1 386.464 1.137 20 0 GDADMM Cc1c(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cnn1C(C)(C)C ZINC000826234437 947687794 /nfs/dbraw/zinc/68/77/94/947687794.db2.gz WJZXYAMVSODHKJ-UHFFFAOYSA-N -1 1 386.464 1.137 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cccc(F)c1 ZINC001573626554 947708267 /nfs/dbraw/zinc/70/82/67/947708267.db2.gz VHCMLDPOJPTBLZ-FZMZJTMJSA-N -1 1 382.403 1.034 20 0 GDADMM C/C(=C/C(=O)N1CCCC[C@H]1CN(C)c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001573364629 947723206 /nfs/dbraw/zinc/72/32/06/947723206.db2.gz ROVHNORERXZHME-CTXBLAANSA-N -1 1 382.472 1.830 20 0 GDADMM C/C(=C/C(=O)N1CCCC[C@H]1CN(C)c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001573364629 947723212 /nfs/dbraw/zinc/72/32/12/947723212.db2.gz ROVHNORERXZHME-CTXBLAANSA-N -1 1 382.472 1.830 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1nccnc1-c1nnn[n-]1)n1cccc1 ZINC001573627462 947725314 /nfs/dbraw/zinc/72/53/14/947725314.db2.gz BUAYXHUPZBDXQX-UONOGXRCSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1nccnc1-c1nn[n-]n1)n1cccc1 ZINC001573627462 947725323 /nfs/dbraw/zinc/72/53/23/947725323.db2.gz BUAYXHUPZBDXQX-UONOGXRCSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)C1CCCC1 ZINC001573627758 947733955 /nfs/dbraw/zinc/73/39/55/947733955.db2.gz BMXRZGCPJVUQEF-UKRRQHHQSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)C1CCCC1 ZINC001573627758 947733959 /nfs/dbraw/zinc/73/39/59/947733959.db2.gz BMXRZGCPJVUQEF-UKRRQHHQSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)C1CCCC1 ZINC001573627759 947734987 /nfs/dbraw/zinc/73/49/87/947734987.db2.gz BMXRZGCPJVUQEF-ZFWWWQNUSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)C1CCCC1 ZINC001573627759 947734996 /nfs/dbraw/zinc/73/49/96/947734996.db2.gz BMXRZGCPJVUQEF-ZFWWWQNUSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)c1ccco1 ZINC001573628233 947749581 /nfs/dbraw/zinc/74/95/81/947749581.db2.gz JGVKXRHVBRPYJK-CHWSQXEVSA-N -1 1 382.428 1.268 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1cncc(-c2nnn[n-]2)n1)C1CCCC1 ZINC001573628872 947767633 /nfs/dbraw/zinc/76/76/33/947767633.db2.gz OSUSSTDZHPDSCO-ZFWWWQNUSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1cncc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573628872 947767636 /nfs/dbraw/zinc/76/76/36/947767636.db2.gz OSUSSTDZHPDSCO-ZFWWWQNUSA-N -1 1 384.488 1.910 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@H](C)[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001573368354 947768305 /nfs/dbraw/zinc/76/83/05/947768305.db2.gz NIKIOEILZUPQGM-JSGCOSHPSA-N -1 1 386.460 1.313 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@H](C)[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001573368354 947768311 /nfs/dbraw/zinc/76/83/11/947768311.db2.gz NIKIOEILZUPQGM-JSGCOSHPSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1)C1CCC1 ZINC001573629058 947770702 /nfs/dbraw/zinc/77/07/02/947770702.db2.gz LVSOPDUMLDSHPY-KGLIPLIRSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1)C1CCC1 ZINC001573629058 947770712 /nfs/dbraw/zinc/77/07/12/947770712.db2.gz LVSOPDUMLDSHPY-KGLIPLIRSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@@H]1CN(C)c1cncc(-c2nnn[n-]2)n1)C1CCC1 ZINC001573629158 947773849 /nfs/dbraw/zinc/77/38/49/947773849.db2.gz QTOWRHQWZOLUGM-DZGCQCFKSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@@H]1CN(C)c1cncc(-c2nn[n-]n2)n1)C1CCC1 ZINC001573629158 947773855 /nfs/dbraw/zinc/77/38/55/947773855.db2.gz QTOWRHQWZOLUGM-DZGCQCFKSA-N -1 1 384.488 1.910 20 0 GDADMM CC(=O)CCCC(=O)N[C@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001573373502 947795860 /nfs/dbraw/zinc/79/58/60/947795860.db2.gz CUVBVEXEKBYANY-KDOFPFPSSA-N -1 1 384.444 1.034 20 0 GDADMM CC(=O)CCCC(=O)N[C@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001573373502 947795867 /nfs/dbraw/zinc/79/58/67/947795867.db2.gz CUVBVEXEKBYANY-KDOFPFPSSA-N -1 1 384.444 1.034 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573630795 947797143 /nfs/dbraw/zinc/79/71/43/947797143.db2.gz SGNPOOATNRPKKS-UWVGGRQHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@H](C(=O)N1CC[C@@]2(C1)CCCN(c1ccc(-c3nnn[n-]3)nn1)C2)C1CC1 ZINC001573632016 947806792 /nfs/dbraw/zinc/80/67/92/947806792.db2.gz XZJFXHOSRSTZMY-DJJJIMSYSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H](C(=O)N1CC[C@@]2(C1)CCCN(c1ccc(-c3nn[n-]n3)nn1)C2)C1CC1 ZINC001573632016 947806807 /nfs/dbraw/zinc/80/68/07/947806807.db2.gz XZJFXHOSRSTZMY-DJJJIMSYSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H](C(=O)N1CCCO[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)C(C)(C)C ZINC001573637956 947828108 /nfs/dbraw/zinc/82/81/08/947828108.db2.gz XCFPISKXEMBVFH-QWHCGFSZSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@@H](C(=O)N1CCCO[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)C(C)(C)C ZINC001573637956 947828113 /nfs/dbraw/zinc/82/81/13/947828113.db2.gz XCFPISKXEMBVFH-QWHCGFSZSA-N -1 1 388.476 1.368 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)[C@@H]1C ZINC001573376111 947830208 /nfs/dbraw/zinc/83/02/08/947830208.db2.gz WSBASWRNVMOFGD-NWDGAFQWSA-N -1 1 377.474 1.792 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(C)c(C(=O)NC(C)C)c2)c1-c1nnn[n-]1 ZINC000826290838 947846818 /nfs/dbraw/zinc/84/68/18/947846818.db2.gz CFCUWPNXQBFWQV-UHFFFAOYSA-N -1 1 383.412 1.791 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(C)c(C(=O)NC(C)C)c2)c1-c1nn[n-]n1 ZINC000826290838 947846823 /nfs/dbraw/zinc/84/68/23/947846823.db2.gz CFCUWPNXQBFWQV-UHFFFAOYSA-N -1 1 383.412 1.791 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)C1CCC1 ZINC001573639939 947848386 /nfs/dbraw/zinc/84/83/86/947848386.db2.gz DIHAXLPZWDKSKQ-NFAWXSAZSA-N -1 1 384.488 1.554 20 0 GDADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2Cc1nnc(C2CCC2)n1C ZINC000826295206 947855510 /nfs/dbraw/zinc/85/55/10/947855510.db2.gz WTHUGAGDPLGRIO-UHFFFAOYSA-N -1 1 377.412 1.329 20 0 GDADMM CC(=O)CCCC(=O)NCC1(Nc2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001573380503 947858856 /nfs/dbraw/zinc/85/88/56/947858856.db2.gz DFLGNGRPNZZHJU-UHFFFAOYSA-N -1 1 383.865 1.797 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C ZINC001573380512 947861402 /nfs/dbraw/zinc/86/14/02/947861402.db2.gz DONPXAADIORJAU-AWEZNQCLSA-N -1 1 386.460 1.137 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C ZINC001573380512 947861409 /nfs/dbraw/zinc/86/14/09/947861409.db2.gz DONPXAADIORJAU-AWEZNQCLSA-N -1 1 386.460 1.137 20 0 GDADMM CC(=O)CCCC(=O)NC[C@@H]1CCCCN1c1snc(C)c1-c1nn[n-]n1 ZINC001573380719 947862767 /nfs/dbraw/zinc/86/27/67/947862767.db2.gz GSZHKHKGVIVCHY-ZDUSSCGKSA-N -1 1 391.501 1.866 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573380757 947863212 /nfs/dbraw/zinc/86/32/12/947863212.db2.gz HORQZZDDGOZNLP-SECBINFHSA-N -1 1 383.865 1.431 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573380757 947863220 /nfs/dbraw/zinc/86/32/20/947863220.db2.gz HORQZZDDGOZNLP-SECBINFHSA-N -1 1 383.865 1.431 20 0 GDADMM Cc1onc(CC(=O)N(C)CC(=O)Nc2cccc(C)c2C)c1-c1nnn[n-]1 ZINC000826299253 947864738 /nfs/dbraw/zinc/86/47/38/947864738.db2.gz XHUXQDQYPLTHNF-UHFFFAOYSA-N -1 1 383.412 1.420 20 0 GDADMM Cc1onc(CC(=O)N(C)CC(=O)Nc2cccc(C)c2C)c1-c1nn[n-]n1 ZINC000826299253 947864745 /nfs/dbraw/zinc/86/47/45/947864745.db2.gz XHUXQDQYPLTHNF-UHFFFAOYSA-N -1 1 383.412 1.420 20 0 GDADMM C[C@H](C(=O)N1C[C@@H]2CCC[C@]2(CNc2nccnc2-c2nnn[n-]2)C1)C1CC1 ZINC001573647238 947886569 /nfs/dbraw/zinc/88/65/69/947886569.db2.gz FTDULFZKCKQZCG-PJFSTRORSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@H](C(=O)N1C[C@@H]2CCC[C@]2(CNc2nccnc2-c2nn[n-]n2)C1)C1CC1 ZINC001573647238 947886578 /nfs/dbraw/zinc/88/65/78/947886578.db2.gz FTDULFZKCKQZCG-PJFSTRORSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccsc1 ZINC001573647182 947886855 /nfs/dbraw/zinc/88/68/55/947886855.db2.gz DNNVLSYNXGTCNJ-JTNHKYCSSA-N -1 1 384.469 1.781 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccsc1 ZINC001573647182 947886859 /nfs/dbraw/zinc/88/68/59/947886859.db2.gz DNNVLSYNXGTCNJ-JTNHKYCSSA-N -1 1 384.469 1.781 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](C)[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573648281 947905481 /nfs/dbraw/zinc/90/54/81/947905481.db2.gz YGDWBCIFYQMHRH-IJLUTSLNSA-N -1 1 394.430 1.266 20 0 GDADMM CC(=O)CCCC(=O)N[C@H](C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573384782 947908543 /nfs/dbraw/zinc/90/85/43/947908543.db2.gz WVKGLEABXPOEBI-CYBMUJFWSA-N -1 1 386.460 1.137 20 0 GDADMM CC(=O)CCCC(=O)N[C@H](C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573384782 947908546 /nfs/dbraw/zinc/90/85/46/947908546.db2.gz WVKGLEABXPOEBI-CYBMUJFWSA-N -1 1 386.460 1.137 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1)n1cccc1 ZINC001573651299 947919285 /nfs/dbraw/zinc/91/92/85/947919285.db2.gz LAULCFPLAICCME-ZNMIVQPWSA-N -1 1 393.455 1.004 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1)n1cccc1 ZINC001573651299 947919290 /nfs/dbraw/zinc/91/92/90/947919290.db2.gz LAULCFPLAICCME-ZNMIVQPWSA-N -1 1 393.455 1.004 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@]2(C)C1)C(C)(C)C ZINC001573651305 947919342 /nfs/dbraw/zinc/91/93/42/947919342.db2.gz LDMDAKKEYWFSNC-QUJCMNEKSA-N -1 1 384.488 1.624 20 0 GDADMM CC(C(=O)N[C@@H](C)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)=C1CCC1 ZINC001573653644 947959132 /nfs/dbraw/zinc/95/91/32/947959132.db2.gz MRQZPMPBZWKZHQ-DZGCQCFKSA-N -1 1 382.472 1.878 20 0 GDADMM CC(C(=O)N[C@@H](C)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)=C1CCC1 ZINC001573653644 947959135 /nfs/dbraw/zinc/95/91/35/947959135.db2.gz MRQZPMPBZWKZHQ-DZGCQCFKSA-N -1 1 382.472 1.878 20 0 GDADMM C[C@@H](C(=O)N[C@@](C)(CNc1nccnc1-c1nnn[n-]1)C1CC1)C(F)(F)F ZINC001573654503 947968066 /nfs/dbraw/zinc/96/80/66/947968066.db2.gz ROPSAFQGTFBXHP-RTHLEPHNSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](C(=O)N[C@@](C)(CNc1nccnc1-c1nn[n-]n1)C1CC1)C(F)(F)F ZINC001573654503 947968076 /nfs/dbraw/zinc/96/80/76/947968076.db2.gz ROPSAFQGTFBXHP-RTHLEPHNSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C(C)(C)C)C(C)(F)F ZINC001573655550 947980108 /nfs/dbraw/zinc/98/01/08/947980108.db2.gz YFPNKISUGCDMAD-KOLCDFICSA-N -1 1 382.419 1.891 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C(C)(C)C)C(C)(F)F ZINC001573655550 947980113 /nfs/dbraw/zinc/98/01/13/947980113.db2.gz YFPNKISUGCDMAD-KOLCDFICSA-N -1 1 382.419 1.891 20 0 GDADMM Cc1onc(CC(=O)N(C)Cc2ccc(C(=O)NC3CC3)cc2)c1-c1nnn[n-]1 ZINC000826343161 947987804 /nfs/dbraw/zinc/98/78/04/947987804.db2.gz OXKUBYLZZYWEFA-UHFFFAOYSA-N -1 1 395.423 1.256 20 0 GDADMM Cc1onc(CC(=O)N(C)Cc2ccc(C(=O)NC3CC3)cc2)c1-c1nn[n-]n1 ZINC000826343161 947987811 /nfs/dbraw/zinc/98/78/11/947987811.db2.gz OXKUBYLZZYWEFA-UHFFFAOYSA-N -1 1 395.423 1.256 20 0 GDADMM Cc1onc(CC(=O)N(C)Cc2nccn2CC(F)(F)F)c1-c1nnn[n-]1 ZINC000826343279 947988902 /nfs/dbraw/zinc/98/89/02/947988902.db2.gz ULTQRAZVXXPQQO-UHFFFAOYSA-N -1 1 384.322 1.123 20 0 GDADMM Cc1onc(CC(=O)N(C)Cc2nccn2CC(F)(F)F)c1-c1nn[n-]n1 ZINC000826343279 947988911 /nfs/dbraw/zinc/98/89/11/947988911.db2.gz ULTQRAZVXXPQQO-UHFFFAOYSA-N -1 1 384.322 1.123 20 0 GDADMM Cc1onc(CC(=O)N2CCC3(CC2)OCc2ccccc23)c1-c1nnn[n-]1 ZINC000826343699 947995855 /nfs/dbraw/zinc/99/58/55/947995855.db2.gz KLHKINDPJRUTDB-UHFFFAOYSA-N -1 1 380.408 1.754 20 0 GDADMM Cc1onc(CC(=O)N2CCC3(CC2)OCc2ccccc23)c1-c1nn[n-]n1 ZINC000826343699 947995859 /nfs/dbraw/zinc/99/58/59/947995859.db2.gz KLHKINDPJRUTDB-UHFFFAOYSA-N -1 1 380.408 1.754 20 0 GDADMM Cc1onc(CC(=O)N[C@H](c2nccn2C)c2cccc(F)c2)c1-c1nnn[n-]1 ZINC000826345421 948023482 /nfs/dbraw/zinc/02/34/82/948023482.db2.gz KRMWUHWADSAKFR-INIZCTEOSA-N -1 1 396.386 1.484 20 0 GDADMM Cc1onc(CC(=O)N[C@H](c2nccn2C)c2cccc(F)c2)c1-c1nn[n-]n1 ZINC000826345421 948023490 /nfs/dbraw/zinc/02/34/90/948023490.db2.gz KRMWUHWADSAKFR-INIZCTEOSA-N -1 1 396.386 1.484 20 0 GDADMM Cc1onc(CC(=O)N2CSC[C@H]2C(=O)Nc2ccccc2)c1-c1nnn[n-]1 ZINC000826345715 948028599 /nfs/dbraw/zinc/02/85/99/948028599.db2.gz RWDNNMDNTDFEBA-ZDUSSCGKSA-N -1 1 399.436 1.246 20 0 GDADMM Cc1onc(CC(=O)N2CSC[C@H]2C(=O)Nc2ccccc2)c1-c1nn[n-]n1 ZINC000826345715 948028608 /nfs/dbraw/zinc/02/86/08/948028608.db2.gz RWDNNMDNTDFEBA-ZDUSSCGKSA-N -1 1 399.436 1.246 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nn1)CC2)C(C)(C)C ZINC001573663754 948042522 /nfs/dbraw/zinc/04/25/22/948042522.db2.gz PIMFACXBLCJRPM-TZMCWYRMSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nn1)CC2)C(C)(C)C ZINC001573663754 948042533 /nfs/dbraw/zinc/04/25/33/948042533.db2.gz PIMFACXBLCJRPM-TZMCWYRMSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C(F)(F)F ZINC001573664138 948048768 /nfs/dbraw/zinc/04/87/68/948048768.db2.gz CDZBPWDJQRIBAU-VHSXEESVSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C(F)(F)F ZINC001573664138 948048778 /nfs/dbraw/zinc/04/87/78/948048778.db2.gz CDZBPWDJQRIBAU-VHSXEESVSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](C(=O)N[C@@]12CCC[C@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2)C(C)(F)F ZINC001573664340 948053056 /nfs/dbraw/zinc/05/30/56/948053056.db2.gz TYGLOEBEBQEKPJ-CZIZLABSSA-N -1 1 392.414 1.566 20 0 GDADMM Cc1onc(CC(=O)NCc2ccnc(OC3CCCC3)c2)c1-c1nnn[n-]1 ZINC000826347808 948059605 /nfs/dbraw/zinc/05/96/05/948059605.db2.gz HCBPJGXIELDFHM-UHFFFAOYSA-N -1 1 383.412 1.738 20 0 GDADMM Cc1onc(CC(=O)NCc2ccnc(OC3CCCC3)c2)c1-c1nn[n-]n1 ZINC000826347808 948059614 /nfs/dbraw/zinc/05/96/14/948059614.db2.gz HCBPJGXIELDFHM-UHFFFAOYSA-N -1 1 383.412 1.738 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccsc1 ZINC001573665049 948067508 /nfs/dbraw/zinc/06/75/08/948067508.db2.gz HZRDIJAFRJQQED-DGCLKSJQSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccsc1 ZINC001573665049 948067516 /nfs/dbraw/zinc/06/75/16/948067516.db2.gz HZRDIJAFRJQQED-DGCLKSJQSA-N -1 1 384.469 1.607 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(CN3CCCC3=O)cc2)c1-c1nnn[n-]1 ZINC000826348213 948068829 /nfs/dbraw/zinc/06/88/29/948068829.db2.gz ATNBEPAUTJKBSI-UHFFFAOYSA-N -1 1 381.396 1.467 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(CN3CCCC3=O)cc2)c1-c1nn[n-]n1 ZINC000826348213 948068838 /nfs/dbraw/zinc/06/88/38/948068838.db2.gz ATNBEPAUTJKBSI-UHFFFAOYSA-N -1 1 381.396 1.467 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)c1-c1nnn[n-]1 ZINC000826348316 948070840 /nfs/dbraw/zinc/07/08/40/948070840.db2.gz GWIOHTWTVYABBG-AWEZNQCLSA-N -1 1 384.396 1.902 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)c1-c1nn[n-]n1 ZINC000826348316 948070849 /nfs/dbraw/zinc/07/08/49/948070849.db2.gz GWIOHTWTVYABBG-AWEZNQCLSA-N -1 1 384.396 1.902 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc3nc(N(C)C)ccc3c2)c1-c1nnn[n-]1 ZINC000826348989 948084857 /nfs/dbraw/zinc/08/48/57/948084857.db2.gz PCMSWIIRPBAPCR-UHFFFAOYSA-N -1 1 378.396 1.959 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc3nc(N(C)C)ccc3c2)c1-c1nn[n-]n1 ZINC000826348989 948084865 /nfs/dbraw/zinc/08/48/65/948084865.db2.gz PCMSWIIRPBAPCR-UHFFFAOYSA-N -1 1 378.396 1.959 20 0 GDADMM Cc1onc(CC(=O)Nc2ccn(CCc3ccncc3)n2)c1-c1nnn[n-]1 ZINC000826349001 948085745 /nfs/dbraw/zinc/08/57/45/948085745.db2.gz PKJJYAGFXRTPTA-UHFFFAOYSA-N -1 1 379.384 1.179 20 0 GDADMM Cc1onc(CC(=O)Nc2ccn(CCc3ccncc3)n2)c1-c1nn[n-]n1 ZINC000826349001 948085757 /nfs/dbraw/zinc/08/57/57/948085757.db2.gz PKJJYAGFXRTPTA-UHFFFAOYSA-N -1 1 379.384 1.179 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1)c1ccco1 ZINC001573666747 948090334 /nfs/dbraw/zinc/09/03/34/948090334.db2.gz VXSDTQKOBOHVBB-QWHCGFSZSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1)c1ccco1 ZINC001573666747 948090345 /nfs/dbraw/zinc/09/03/45/948090345.db2.gz VXSDTQKOBOHVBB-QWHCGFSZSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](C(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)c1cccs1 ZINC001573670217 948099231 /nfs/dbraw/zinc/09/92/31/948099231.db2.gz ABJVOEOLQKOAJA-NSHDSACASA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)c1cccs1 ZINC001573670217 948099237 /nfs/dbraw/zinc/09/92/37/948099237.db2.gz ABJVOEOLQKOAJA-NSHDSACASA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)CC(C)(C)C1)C1CC1 ZINC001573677253 948134510 /nfs/dbraw/zinc/13/45/10/948134510.db2.gz WZHUOUWKOKOASL-OCCSQVGLSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)CC(C)(C)C1)C1CC1 ZINC001573677253 948134512 /nfs/dbraw/zinc/13/45/12/948134512.db2.gz WZHUOUWKOKOASL-OCCSQVGLSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC1(C)C)C(F)(F)F ZINC001573677824 948142442 /nfs/dbraw/zinc/14/24/42/948142442.db2.gz FLUFTUNBNWTSIR-IUCAKERBSA-N -1 1 384.366 1.186 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CN(c2nccnc2-c2nn[n-]n2)CC1(C)C)C(F)(F)F ZINC001573677824 948142450 /nfs/dbraw/zinc/14/24/50/948142450.db2.gz FLUFTUNBNWTSIR-IUCAKERBSA-N -1 1 384.366 1.186 20 0 GDADMM CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)c(Cl)n3)[C@@H]2C1 ZINC001573429391 948171508 /nfs/dbraw/zinc/17/15/08/948171508.db2.gz IAUONRBNIRWGDQ-UHTWSYAYSA-N -1 1 389.847 1.292 20 0 GDADMM C[C@@H](C(=O)NCC1=CCN(c2nccnc2-c2nnn[n-]2)CC1)c1ccco1 ZINC001573695587 948306964 /nfs/dbraw/zinc/30/69/64/948306964.db2.gz HKCZOTQPGQNSQL-GFCCVEGCSA-N -1 1 380.412 1.306 20 0 GDADMM C[C@@H](C(=O)NCC1=CCN(c2nccnc2-c2nn[n-]n2)CC1)c1ccco1 ZINC001573695587 948306975 /nfs/dbraw/zinc/30/69/75/948306975.db2.gz HKCZOTQPGQNSQL-GFCCVEGCSA-N -1 1 380.412 1.306 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCC(C)(C)CN1c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001573703984 948360978 /nfs/dbraw/zinc/36/09/78/948360978.db2.gz NSHJICHUYIJZOU-GXTWGEPZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCC(C)(C)CN1c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001573703984 948360984 /nfs/dbraw/zinc/36/09/84/948360984.db2.gz NSHJICHUYIJZOU-GXTWGEPZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573704018 948361450 /nfs/dbraw/zinc/36/14/50/948361450.db2.gz NZYMWYODTWBUFH-NXEZZACHSA-N -1 1 384.366 1.188 20 0 GDADMM O=C(c1ccccc1NCc1ccnc(-c2nnn[n-]2)c1)N1CCC[C@H]1CO ZINC000826474385 948372860 /nfs/dbraw/zinc/37/28/60/948372860.db2.gz NMHZOTRCIXIIKP-AWEZNQCLSA-N -1 1 379.424 1.471 20 0 GDADMM O=C(c1ccccc1NCc1ccnc(-c2nn[n-]n2)c1)N1CCC[C@H]1CO ZINC000826474385 948372869 /nfs/dbraw/zinc/37/28/69/948372869.db2.gz NMHZOTRCIXIIKP-AWEZNQCLSA-N -1 1 379.424 1.471 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCCO1)C(C)(C)C ZINC001573707990 948441011 /nfs/dbraw/zinc/44/10/11/948441011.db2.gz QORVYMADYLJSJT-STQMWFEESA-N -1 1 388.476 1.050 20 0 GDADMM C[C@@H](C(=O)NCCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1)C(F)(F)F ZINC001573714522 948472450 /nfs/dbraw/zinc/47/24/50/948472450.db2.gz HTAVNJDDLNGDLA-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](C(=O)NCC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001573715553 948493555 /nfs/dbraw/zinc/49/35/55/948493555.db2.gz ZASSOPKOBDYAEB-UWVGGRQHSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@H](C(=O)NCC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001573715553 948493559 /nfs/dbraw/zinc/49/35/59/948493559.db2.gz ZASSOPKOBDYAEB-UWVGGRQHSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1ccnc(-c2nn[n-]n2)n1)c1ccc(F)cc1F ZINC001573719737 948529337 /nfs/dbraw/zinc/52/93/37/948529337.db2.gz OSKYHYOFKSAVQD-JTQLQIEISA-N -1 1 388.382 1.291 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1)c1cc2ccccc2o1 ZINC001573720168 948533180 /nfs/dbraw/zinc/53/31/80/948533180.db2.gz PPNJSVVFCIECNS-LBPRGKRZSA-N -1 1 392.423 1.759 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1)c1cc2ccccc2o1 ZINC001573720168 948533187 /nfs/dbraw/zinc/53/31/87/948533187.db2.gz PPNJSVVFCIECNS-LBPRGKRZSA-N -1 1 392.423 1.759 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573726225 948547802 /nfs/dbraw/zinc/54/78/02/948547802.db2.gz GFHDUARCHFXERP-RJZRQDKASA-N -1 1 382.472 1.566 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573726225 948547811 /nfs/dbraw/zinc/54/78/11/948547811.db2.gz GFHDUARCHFXERP-RJZRQDKASA-N -1 1 382.472 1.566 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C)C(F)(F)F ZINC001573726007 948548355 /nfs/dbraw/zinc/54/83/55/948548355.db2.gz FQSJVTZIGHQRLJ-KXUCPTDWSA-N -1 1 384.366 1.044 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C)C(F)(F)F ZINC001573726007 948548360 /nfs/dbraw/zinc/54/83/60/948548360.db2.gz FQSJVTZIGHQRLJ-KXUCPTDWSA-N -1 1 384.366 1.044 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C)C(F)(F)F ZINC001573726360 948549181 /nfs/dbraw/zinc/54/91/81/948549181.db2.gz IQBOSGNXWCZCHD-KXUCPTDWSA-N -1 1 384.366 1.044 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C)C(F)(F)F ZINC001573726360 948549187 /nfs/dbraw/zinc/54/91/87/948549187.db2.gz IQBOSGNXWCZCHD-KXUCPTDWSA-N -1 1 384.366 1.044 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cccs1 ZINC001573728688 948564351 /nfs/dbraw/zinc/56/43/51/948564351.db2.gz QLJMQYSSUNHGNM-UTUOFQBUSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cccs1 ZINC001573728688 948564354 /nfs/dbraw/zinc/56/43/54/948564354.db2.gz QLJMQYSSUNHGNM-UTUOFQBUSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001573729887 948573402 /nfs/dbraw/zinc/57/34/02/948573402.db2.gz VVAQRKVXLAWAGA-RWMBFGLXSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001573729887 948573409 /nfs/dbraw/zinc/57/34/09/948573409.db2.gz VVAQRKVXLAWAGA-RWMBFGLXSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cccnc1 ZINC001573730903 948585141 /nfs/dbraw/zinc/58/51/41/948585141.db2.gz SFBLGBGKGMEEFB-OBJOEFQTSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cccnc1 ZINC001573730903 948585149 /nfs/dbraw/zinc/58/51/49/948585149.db2.gz SFBLGBGKGMEEFB-OBJOEFQTSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@@H](C)n1cccc1 ZINC001573741628 948658126 /nfs/dbraw/zinc/65/81/26/948658126.db2.gz DZPAPLDYUKGIIB-RKDXNWHRSA-N -1 1 380.865 1.956 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)[C@H](C)C(C)(C)C ZINC001573752505 948713810 /nfs/dbraw/zinc/71/38/10/948713810.db2.gz NOYFNQFHTNSDNE-JYKNGBAOSA-N -1 1 384.488 1.526 20 0 GDADMM C[C@H](C(=O)Nc1ncccc1C(=O)OC(C)(C)C)n1cnc(-c2nn[n-]n2)n1 ZINC001573754349 948740853 /nfs/dbraw/zinc/74/08/53/948740853.db2.gz FGROQFYVNBAPJD-SECBINFHSA-N -1 1 385.388 1.008 20 0 GDADMM C[C@H](C(=O)Nc1ccc(NC(=O)c2coc(-c3nnn[n-]3)c2)cc1)n1cncn1 ZINC001573755091 948752677 /nfs/dbraw/zinc/75/26/77/948752677.db2.gz AHTJLKKMKFCDBZ-SNVBAGLBSA-N -1 1 393.367 1.503 20 0 GDADMM C[C@H](C(=O)Nc1ccc(NC(=O)c2coc(-c3nn[n-]n3)c2)cc1)n1cncn1 ZINC001573755091 948752691 /nfs/dbraw/zinc/75/26/91/948752691.db2.gz AHTJLKKMKFCDBZ-SNVBAGLBSA-N -1 1 393.367 1.503 20 0 GDADMM C[C@@H](CNC(=O)CCc1cccc(F)c1F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574914808 948753710 /nfs/dbraw/zinc/75/37/10/948753710.db2.gz NFYZEEBYXZZKOZ-JTQLQIEISA-N -1 1 388.382 1.484 20 0 GDADMM C[C@@H](CNC(=O)CCc1cccc(F)c1F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574914808 948753719 /nfs/dbraw/zinc/75/37/19/948753719.db2.gz NFYZEEBYXZZKOZ-JTQLQIEISA-N -1 1 388.382 1.484 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)CC2)CC1 ZINC001575222252 948755263 /nfs/dbraw/zinc/75/52/63/948755263.db2.gz HFKWBLNKPHAMFH-NSHDSACASA-N -1 1 392.414 1.567 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)CC2)CC1 ZINC001575222252 948755273 /nfs/dbraw/zinc/75/52/73/948755273.db2.gz HFKWBLNKPHAMFH-NSHDSACASA-N -1 1 392.414 1.567 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1coc(CC2CC2)n1 ZINC001574678679 948755557 /nfs/dbraw/zinc/75/55/57/948755557.db2.gz IANPELPWCFYXCY-JTQLQIEISA-N -1 1 383.416 1.218 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1coc(CC2CC2)n1 ZINC001574678679 948755570 /nfs/dbraw/zinc/75/55/70/948755570.db2.gz IANPELPWCFYXCY-JTQLQIEISA-N -1 1 383.416 1.218 20 0 GDADMM CC(C)c1cccc(C(=O)NC[C@@H](C)N(C)c2ccc(-c3nnn[n-]3)nn2)n1 ZINC001574416701 948757474 /nfs/dbraw/zinc/75/74/74/948757474.db2.gz DVGQOLYDUCNNHC-GFCCVEGCSA-N -1 1 381.444 1.430 20 0 GDADMM CC(C)c1cccc(C(=O)NC[C@@H](C)N(C)c2ccc(-c3nn[n-]n3)nn2)n1 ZINC001574416701 948757490 /nfs/dbraw/zinc/75/74/90/948757490.db2.gz DVGQOLYDUCNNHC-GFCCVEGCSA-N -1 1 381.444 1.430 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccc2c(c1)CCO2 ZINC001574679061 948768192 /nfs/dbraw/zinc/76/81/92/948768192.db2.gz MLMYRPKFRQDLGP-NSHDSACASA-N -1 1 380.412 1.212 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccc2c(c1)CCO2 ZINC001574679061 948768201 /nfs/dbraw/zinc/76/82/01/948768201.db2.gz MLMYRPKFRQDLGP-NSHDSACASA-N -1 1 380.412 1.212 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cc2cnccc2o1 ZINC001574679448 948779885 /nfs/dbraw/zinc/77/98/85/948779885.db2.gz VJBVWIGGSFGVIR-JTQLQIEISA-N -1 1 379.384 1.418 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cc2cnccc2o1 ZINC001574679448 948779909 /nfs/dbraw/zinc/77/99/09/948779909.db2.gz VJBVWIGGSFGVIR-JTQLQIEISA-N -1 1 379.384 1.418 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cc2cnccc2o1 ZINC001574679449 948782525 /nfs/dbraw/zinc/78/25/25/948782525.db2.gz VJBVWIGGSFGVIR-SNVBAGLBSA-N -1 1 379.384 1.418 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cc2cnccc2o1 ZINC001574679449 948782527 /nfs/dbraw/zinc/78/25/27/948782527.db2.gz VJBVWIGGSFGVIR-SNVBAGLBSA-N -1 1 379.384 1.418 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CCCC[C@H]2Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575224448 948785753 /nfs/dbraw/zinc/78/57/53/948785753.db2.gz WHNCVKULMVFVAH-GHMZBOCLSA-N -1 1 392.414 1.353 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ncc(Cl)s1 ZINC001574680133 948798677 /nfs/dbraw/zinc/79/86/77/948798677.db2.gz FCAYMWQOPHCWCB-ZETCQYMHSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ncc(Cl)s1 ZINC001574680133 948798683 /nfs/dbraw/zinc/79/86/83/948798683.db2.gz FCAYMWQOPHCWCB-ZETCQYMHSA-N -1 1 379.837 1.387 20 0 GDADMM CC(C)c1cccc(NC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)c1 ZINC001574420554 948800615 /nfs/dbraw/zinc/80/06/15/948800615.db2.gz YJZPOMVVIBWZKZ-UHFFFAOYSA-N -1 1 384.400 1.074 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001575225381 948801921 /nfs/dbraw/zinc/80/19/21/948801921.db2.gz ZHMFJZJIVOAPDN-CMPLNLGQSA-N -1 1 378.387 1.129 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001575225381 948801939 /nfs/dbraw/zinc/80/19/39/948801939.db2.gz ZHMFJZJIVOAPDN-CMPLNLGQSA-N -1 1 378.387 1.129 20 0 GDADMM C[C@@H](C(=O)Nc1cccc(OC(F)(F)F)c1-c1nn[n-]n1)S(C)(=O)=O ZINC001573756154 948801960 /nfs/dbraw/zinc/80/19/60/948801960.db2.gz MLFGLXNBNYGDFJ-LURJTMIESA-N -1 1 379.320 1.137 20 0 GDADMM CC(C)c1ccccc1C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574420524 948802705 /nfs/dbraw/zinc/80/27/05/948802705.db2.gz WGVDZTMNKXMJDL-ZDUSSCGKSA-N -1 1 378.440 1.789 20 0 GDADMM CC(C)c1ccccc1C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574420524 948802717 /nfs/dbraw/zinc/80/27/17/948802717.db2.gz WGVDZTMNKXMJDL-ZDUSSCGKSA-N -1 1 378.440 1.789 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@]2(C1)CCCN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001575225439 948805551 /nfs/dbraw/zinc/80/55/51/948805551.db2.gz BTPCAEBKWUIQNH-QGZVFWFLSA-N -1 1 392.414 1.521 20 0 GDADMM CC(C)c1ccoc1C(=O)NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001574420807 948806589 /nfs/dbraw/zinc/80/65/89/948806589.db2.gz ALPTYMQZKKGBQK-UHFFFAOYSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1ccoc1C(=O)NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001574420807 948806607 /nfs/dbraw/zinc/80/66/07/948806607.db2.gz ALPTYMQZKKGBQK-UHFFFAOYSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001574420606 948806817 /nfs/dbraw/zinc/80/68/17/948806817.db2.gz ZTZZAZJMZISLMI-LBPRGKRZSA-N -1 1 379.428 1.184 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001574420606 948806830 /nfs/dbraw/zinc/80/68/30/948806830.db2.gz ZTZZAZJMZISLMI-LBPRGKRZSA-N -1 1 379.428 1.184 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1coc(C(F)F)c1 ZINC001574681330 948811911 /nfs/dbraw/zinc/81/19/11/948811911.db2.gz LOVXFWCXUYVOJM-MRVPVSSYSA-N -1 1 378.343 1.808 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1coc(C(F)F)c1 ZINC001574681330 948811927 /nfs/dbraw/zinc/81/19/27/948811927.db2.gz LOVXFWCXUYVOJM-MRVPVSSYSA-N -1 1 378.343 1.808 20 0 GDADMM CC(C)c1ccoc1C(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574421819 948821127 /nfs/dbraw/zinc/82/11/27/948821127.db2.gz QIJVUBGJOQTRAP-GFCCVEGCSA-N -1 1 382.428 1.629 20 0 GDADMM CC(C)c1ccoc1C(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574421819 948821146 /nfs/dbraw/zinc/82/11/46/948821146.db2.gz QIJVUBGJOQTRAP-GFCCVEGCSA-N -1 1 382.428 1.629 20 0 GDADMM CC(F)(F)CC(=O)N1CCCC[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001575226591 948821187 /nfs/dbraw/zinc/82/11/87/948821187.db2.gz NSYRLEUYSOAFBL-NSHDSACASA-N -1 1 380.403 1.307 20 0 GDADMM CC(C)[C@@H](F)C(=O)NCc1ccc(CNc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001574081258 948824889 /nfs/dbraw/zinc/82/48/89/948824889.db2.gz RHWVINLJWOZQGN-MRXNPFEDSA-N -1 1 384.419 1.879 20 0 GDADMM CC(C)[C@@H](F)C(=O)NCc1ccc(CNc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001574081258 948824905 /nfs/dbraw/zinc/82/49/05/948824905.db2.gz RHWVINLJWOZQGN-MRXNPFEDSA-N -1 1 384.419 1.879 20 0 GDADMM CC(C)c1ccoc1C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574422019 948828002 /nfs/dbraw/zinc/82/80/02/948828002.db2.gz UTQQYFBFWYCIIT-GFCCVEGCSA-N -1 1 382.428 1.629 20 0 GDADMM CC(C)c1ccoc1C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001574422376 948835220 /nfs/dbraw/zinc/83/52/20/948835220.db2.gz ZRQXPBWNUBEDQW-JYAVWHMHSA-N -1 1 380.412 1.238 20 0 GDADMM CC(C)c1ccoc1C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001574422376 948835241 /nfs/dbraw/zinc/83/52/41/948835241.db2.gz ZRQXPBWNUBEDQW-JYAVWHMHSA-N -1 1 380.412 1.238 20 0 GDADMM CC(C)c1ccsc1C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574424113 948838948 /nfs/dbraw/zinc/83/89/48/948838948.db2.gz FLVIRBAYXYNYBC-PHIMTYICSA-N -1 1 384.469 1.636 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cn1ncc2ccccc21 ZINC001574683126 948840718 /nfs/dbraw/zinc/84/07/18/948840718.db2.gz UVHXRUWPWWKJSU-GFCCVEGCSA-N -1 1 392.427 1.013 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cn1ncc2ccccc21 ZINC001574683126 948840734 /nfs/dbraw/zinc/84/07/34/948840734.db2.gz UVHXRUWPWWKJSU-GFCCVEGCSA-N -1 1 392.427 1.013 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)C(F)F ZINC001573761297 948842187 /nfs/dbraw/zinc/84/21/87/948842187.db2.gz GNOIBZKYXIQNBS-PHIMTYICSA-N -1 1 392.414 1.518 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)C(F)F ZINC001573761297 948842202 /nfs/dbraw/zinc/84/22/02/948842202.db2.gz GNOIBZKYXIQNBS-PHIMTYICSA-N -1 1 392.414 1.518 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cc1ccc(F)cc1F ZINC001574683323 948845901 /nfs/dbraw/zinc/84/59/01/948845901.db2.gz XJIWAOKJLJNEOH-SNVBAGLBSA-N -1 1 388.382 1.484 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cc1ccc(F)cc1F ZINC001574683323 948845916 /nfs/dbraw/zinc/84/59/16/948845916.db2.gz XJIWAOKJLJNEOH-SNVBAGLBSA-N -1 1 388.382 1.484 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cccc2c1OCC2 ZINC001574683331 948851175 /nfs/dbraw/zinc/85/11/75/948851175.db2.gz XUSAQSAUBYQMCP-NSHDSACASA-N -1 1 380.412 1.212 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cccc2c1OCC2 ZINC001574683331 948851195 /nfs/dbraw/zinc/85/11/95/948851195.db2.gz XUSAQSAUBYQMCP-NSHDSACASA-N -1 1 380.412 1.212 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)C[C@@H]1CCOC1 ZINC001574684371 948864259 /nfs/dbraw/zinc/86/42/59/948864259.db2.gz DWCZMNDKGKADDD-IUCAKERBSA-N -1 1 385.881 1.710 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)C[C@@H]1CCOC1 ZINC001574684371 948864271 /nfs/dbraw/zinc/86/42/71/948864271.db2.gz DWCZMNDKGKADDD-IUCAKERBSA-N -1 1 385.881 1.710 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)c1cnsn1 ZINC001574684923 948894529 /nfs/dbraw/zinc/89/45/29/948894529.db2.gz PEMMRHKERAYADA-YFKPBYRVSA-N -1 1 385.866 1.449 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)c1cnsn1 ZINC001574684923 948894547 /nfs/dbraw/zinc/89/45/47/948894547.db2.gz PEMMRHKERAYADA-YFKPBYRVSA-N -1 1 385.866 1.449 20 0 GDADMM CC(F)(F)CC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001575234154 948895239 /nfs/dbraw/zinc/89/52/39/948895239.db2.gz OYNRZGYXPUATTB-FGWVZKOKSA-N -1 1 378.387 1.318 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H]2[C@@H](CCN2c2ccc(-c3nnn[n-]3)nn2)C1)C1CC1 ZINC001573764695 948896049 /nfs/dbraw/zinc/89/60/49/948896049.db2.gz QORXIFIQDHOGNM-SWLSCSKDSA-N -1 1 382.472 1.520 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H]2[C@@H](CCN2c2ccc(-c3nn[n-]n3)nn2)C1)C1CC1 ZINC001573764695 948896060 /nfs/dbraw/zinc/89/60/60/948896060.db2.gz QORXIFIQDHOGNM-SWLSCSKDSA-N -1 1 382.472 1.520 20 0 GDADMM CC(C)c1ncc(C(=O)N(C)[C@H](C)CNc2ccnc(-c3nn[n-]n3)n2)s1 ZINC001574427498 948903068 /nfs/dbraw/zinc/90/30/68/948903068.db2.gz GEWIDJFZUJQYOZ-SNVBAGLBSA-N -1 1 387.473 1.231 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575235147 948912333 /nfs/dbraw/zinc/91/23/33/948912333.db2.gz JMBIIFWLCRFGIH-NSHDSACASA-N -1 1 380.403 1.165 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CC[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001575235483 948919590 /nfs/dbraw/zinc/91/95/90/948919590.db2.gz VSTLMTXNPRMREX-IJLUTSLNSA-N -1 1 392.414 1.423 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001575235486 948920326 /nfs/dbraw/zinc/92/03/26/948920326.db2.gz VSTLMTXNPRMREX-QJPTWQEYSA-N -1 1 392.414 1.423 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@@H]2C1 ZINC001575235769 948925840 /nfs/dbraw/zinc/92/58/40/948925840.db2.gz YENISMTVGUKDTM-SDDRHHMPSA-N -1 1 392.414 1.423 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@H]2C1 ZINC001575235769 948925853 /nfs/dbraw/zinc/92/58/53/948925853.db2.gz YENISMTVGUKDTM-SDDRHHMPSA-N -1 1 392.414 1.423 20 0 GDADMM CC(F)(F)CC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001575235607 948926752 /nfs/dbraw/zinc/92/67/52/948926752.db2.gz WMFCISHIUHTMGD-FGWVZKOKSA-N -1 1 378.387 1.318 20 0 GDADMM CC(F)(F)CC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001575235607 948926757 /nfs/dbraw/zinc/92/67/57/948926757.db2.gz WMFCISHIUHTMGD-FGWVZKOKSA-N -1 1 378.387 1.318 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@@]2(C)C1)C1CC1 ZINC001573766024 948931452 /nfs/dbraw/zinc/93/14/52/948931452.db2.gz UJMZOJXJOPDYGJ-YJYMSZOUSA-N -1 1 382.472 1.378 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@]2(C)C1)C1CC1 ZINC001573766024 948931463 /nfs/dbraw/zinc/93/14/63/948931463.db2.gz UJMZOJXJOPDYGJ-YJYMSZOUSA-N -1 1 382.472 1.378 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@@](C)(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575236054 948931472 /nfs/dbraw/zinc/93/14/72/948931472.db2.gz UDEJVYXGVVRHTF-HNNXBMFYSA-N -1 1 380.403 1.743 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575236054 948931480 /nfs/dbraw/zinc/93/14/80/948931480.db2.gz UDEJVYXGVVRHTF-HNNXBMFYSA-N -1 1 380.403 1.743 20 0 GDADMM CC(C)(C(=O)NC1CC(CNc2nccnc2-c2nnn[n-]2)C1)c1ccccc1 ZINC001573771461 948941454 /nfs/dbraw/zinc/94/14/54/948941454.db2.gz IFYMVXPTXDPAHM-UHFFFAOYSA-N -1 1 392.467 1.941 20 0 GDADMM CC(C)(C(=O)NC1CC(CNc2nccnc2-c2nn[n-]n2)C1)c1ccccc1 ZINC001573771461 948941468 /nfs/dbraw/zinc/94/14/68/948941468.db2.gz IFYMVXPTXDPAHM-UHFFFAOYSA-N -1 1 392.467 1.941 20 0 GDADMM CC(F)(F)CCC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001575237013 948944765 /nfs/dbraw/zinc/94/47/65/948944765.db2.gz DAEAYCPMAHTAKZ-YOGCLGLASA-N -1 1 392.414 1.708 20 0 GDADMM CC(F)(F)CCC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001575237013 948944778 /nfs/dbraw/zinc/94/47/78/948944778.db2.gz DAEAYCPMAHTAKZ-YOGCLGLASA-N -1 1 392.414 1.708 20 0 GDADMM CC(F)(F)CCC(=O)NC[C@@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575237328 948945844 /nfs/dbraw/zinc/94/58/44/948945844.db2.gz DYMHCHZZWJOZMX-NSHDSACASA-N -1 1 380.403 1.567 20 0 GDADMM CC(F)(F)CCC(=O)NC[C@@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575237328 948945855 /nfs/dbraw/zinc/94/58/55/948945855.db2.gz DYMHCHZZWJOZMX-NSHDSACASA-N -1 1 380.403 1.567 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575237532 948948397 /nfs/dbraw/zinc/94/83/97/948948397.db2.gz HASHWVQEDCCKJQ-MNOVXSKESA-N -1 1 380.403 1.211 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575238435 948954514 /nfs/dbraw/zinc/95/45/14/948954514.db2.gz NIIYVJRSXCKNHM-QWRGUYRKSA-N -1 1 380.403 1.931 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575238435 948954523 /nfs/dbraw/zinc/95/45/23/948954523.db2.gz NIIYVJRSXCKNHM-QWRGUYRKSA-N -1 1 380.403 1.931 20 0 GDADMM CC(C)[C@@H]1C[C@@H](CC(=O)N(C)CCNc2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001574089625 948961867 /nfs/dbraw/zinc/96/18/67/948961867.db2.gz GBDIUWBZHHNZCD-ZFWWWQNUSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)[C@@H]1C[C@@H](CC(=O)N(C)CCNc2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001574089625 948961881 /nfs/dbraw/zinc/96/18/81/948961881.db2.gz GBDIUWBZHHNZCD-ZFWWWQNUSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)(C(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)C1CCCC1 ZINC001573772918 948969487 /nfs/dbraw/zinc/96/94/87/948969487.db2.gz YKIGKXLJVBBKQP-CQSZACIVSA-N -1 1 384.488 1.602 20 0 GDADMM CC(C)(C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nnn[n-]3)n1)C2)C(F)F ZINC001573772869 948969850 /nfs/dbraw/zinc/96/98/50/948969850.db2.gz XKKRJBFELBBNHF-AXFHLTTASA-N -1 1 392.414 1.422 20 0 GDADMM CC(C)(C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nn[n-]n3)n1)C2)C(F)F ZINC001573772869 948969858 /nfs/dbraw/zinc/96/98/58/948969858.db2.gz XKKRJBFELBBNHF-AXFHLTTASA-N -1 1 392.414 1.422 20 0 GDADMM CC(C)c1nnc2n1CCN(C(=O)NCc1ccc(-c3nn[n-]n3)s1)[C@H]2C ZINC001574434967 948988562 /nfs/dbraw/zinc/98/85/62/948988562.db2.gz NMEYRFALKVZGLD-JTQLQIEISA-N -1 1 387.473 1.930 20 0 GDADMM CC(C)(C(=O)NC[C@@H](O)CNc1nc(-c2nn[n-]n2)c(Cl)s1)C1CC1 ZINC001573773735 948994222 /nfs/dbraw/zinc/99/42/22/948994222.db2.gz GEQWPIUWJNBODO-MRVPVSSYSA-N -1 1 385.881 1.302 20 0 GDADMM CC(F)(F)CCC(=O)N[C@]12CCC[C@H]1CN(c1nccnc1-c1nnn[n-]1)C2 ZINC001575243597 948996579 /nfs/dbraw/zinc/99/65/79/948996579.db2.gz PPYRCQQKQPJOAK-GTNSWQLSSA-N -1 1 392.414 1.567 20 0 GDADMM CC(F)(F)CCC(=O)N[C@]12CCC[C@H]1CN(c1nccnc1-c1nn[n-]n1)C2 ZINC001575243597 948996587 /nfs/dbraw/zinc/99/65/87/948996587.db2.gz PPYRCQQKQPJOAK-GTNSWQLSSA-N -1 1 392.414 1.567 20 0 GDADMM CC(C)(C(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1)C(F)(F)F ZINC001573774068 948998753 /nfs/dbraw/zinc/99/87/53/948998753.db2.gz JQUVWZDMTNECOZ-JTQLQIEISA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)(C(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1)C(F)(F)F ZINC001573774068 948998763 /nfs/dbraw/zinc/99/87/63/948998763.db2.gz JQUVWZDMTNECOZ-JTQLQIEISA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@@H]1CCC(F)(F)C1 ZINC001574690480 949001417 /nfs/dbraw/zinc/00/14/17/949001417.db2.gz PEMXCFWSBMHMOV-MNOVXSKESA-N -1 1 380.403 1.789 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@@H]1CCC(F)(F)C1 ZINC001574690480 949001433 /nfs/dbraw/zinc/00/14/33/949001433.db2.gz PEMXCFWSBMHMOV-MNOVXSKESA-N -1 1 380.403 1.789 20 0 GDADMM CC(C)c1nnsc1C(=O)NCC=CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001574439477 949009675 /nfs/dbraw/zinc/00/96/75/949009675.db2.gz FOQOPICWYOBKEG-ARJAWSKDSA-N -1 1 386.445 1.030 20 0 GDADMM CC(C)c1nnsc1C(=O)NCC=CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001574439477 949009690 /nfs/dbraw/zinc/00/96/90/949009690.db2.gz FOQOPICWYOBKEG-ARJAWSKDSA-N -1 1 386.445 1.030 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CCc2cccnc21 ZINC001574691045 949013011 /nfs/dbraw/zinc/01/30/11/949013011.db2.gz SKLXEKOVSWDHGU-YPMHNXCESA-N -1 1 379.428 1.088 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CCc2cccnc21 ZINC001574691045 949013029 /nfs/dbraw/zinc/01/30/29/949013029.db2.gz SKLXEKOVSWDHGU-YPMHNXCESA-N -1 1 379.428 1.088 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574441001 949050370 /nfs/dbraw/zinc/05/03/70/949050370.db2.gz DPMYTKKPKKSFCS-LLVKDONJSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574441001 949050391 /nfs/dbraw/zinc/05/03/91/949050391.db2.gz DPMYTKKPKKSFCS-LLVKDONJSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1nocc1C(=O)N(C)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574441113 949051009 /nfs/dbraw/zinc/05/10/09/949051009.db2.gz BQZSXLGOPQOGEE-LLVKDONJSA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1nocc1C(=O)N(C)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574441113 949051026 /nfs/dbraw/zinc/05/10/26/949051026.db2.gz BQZSXLGOPQOGEE-LLVKDONJSA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1)C(F)F ZINC001573779268 949058347 /nfs/dbraw/zinc/05/83/47/949058347.db2.gz FTPMEYREVFODRO-SNVBAGLBSA-N -1 1 380.403 1.423 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1)C(F)F ZINC001573779268 949058370 /nfs/dbraw/zinc/05/83/70/949058370.db2.gz FTPMEYREVFODRO-SNVBAGLBSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)c1cn(C)cn1 ZINC001574694051 949064102 /nfs/dbraw/zinc/06/41/02/949064102.db2.gz KDBCHUQJRRJCJO-ZETCQYMHSA-N -1 1 381.853 1.331 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)c1cn(C)cn1 ZINC001574694051 949064111 /nfs/dbraw/zinc/06/41/11/949064111.db2.gz KDBCHUQJRRJCJO-ZETCQYMHSA-N -1 1 381.853 1.331 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574441861 949082946 /nfs/dbraw/zinc/08/29/46/949082946.db2.gz CXELBYLXFBPJGB-LLVKDONJSA-N -1 1 383.416 1.024 20 0 GDADMM CC(C)c1nocc1C(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574441942 949088544 /nfs/dbraw/zinc/08/85/44/949088544.db2.gz GOYGADKHZPQNIT-UHFFFAOYSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1nocc1C(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574441942 949088558 /nfs/dbraw/zinc/08/85/58/949088558.db2.gz GOYGADKHZPQNIT-UHFFFAOYSA-N -1 1 383.416 1.389 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)CC[C@H]1CC(C)(C)CO1 ZINC001574695231 949109340 /nfs/dbraw/zinc/10/93/40/949109340.db2.gz FRBXHFSAENIDJI-STQMWFEESA-N -1 1 388.476 1.559 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)CC[C@H]1CC(C)(C)CO1 ZINC001574695231 949109359 /nfs/dbraw/zinc/10/93/59/949109359.db2.gz FRBXHFSAENIDJI-STQMWFEESA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H](NC(=O)C(C)(C)CC(F)(F)F)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575250087 949110960 /nfs/dbraw/zinc/11/09/60/949110960.db2.gz DCPMUPJPDQTYIH-IUCAKERBSA-N -1 1 386.382 1.940 20 0 GDADMM C[C@H](NC(=O)C(C)(C)CC(F)(F)F)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575250087 949110974 /nfs/dbraw/zinc/11/09/74/949110974.db2.gz DCPMUPJPDQTYIH-IUCAKERBSA-N -1 1 386.382 1.940 20 0 GDADMM CC(C)c1occc1C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574446003 949115165 /nfs/dbraw/zinc/11/51/65/949115165.db2.gz FEEPGQABKGYCAQ-HAQNSBGRSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1occc1C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574446003 949115181 /nfs/dbraw/zinc/11/51/81/949115181.db2.gz FEEPGQABKGYCAQ-HAQNSBGRSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001574093706 949116445 /nfs/dbraw/zinc/11/64/45/949116445.db2.gz YBCABDSHZZAAFI-ZYKCCNLVSA-N -1 1 382.472 1.519 20 0 GDADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001574093706 949116457 /nfs/dbraw/zinc/11/64/57/949116457.db2.gz YBCABDSHZZAAFI-ZYKCCNLVSA-N -1 1 382.472 1.519 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)CC(F)(F)F)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575250912 949118340 /nfs/dbraw/zinc/11/83/40/949118340.db2.gz IOHDBYMBQFMICV-RKDXNWHRSA-N -1 1 386.382 1.940 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)CC(F)(F)F)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575250912 949118350 /nfs/dbraw/zinc/11/83/50/949118350.db2.gz IOHDBYMBQFMICV-RKDXNWHRSA-N -1 1 386.382 1.940 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1csc(Cl)c1 ZINC001574696026 949121895 /nfs/dbraw/zinc/12/18/95/949121895.db2.gz LZYSCBIMOKIFJY-MRVPVSSYSA-N -1 1 378.849 1.992 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1csc(Cl)c1 ZINC001574696026 949121907 /nfs/dbraw/zinc/12/19/07/949121907.db2.gz LZYSCBIMOKIFJY-MRVPVSSYSA-N -1 1 378.849 1.992 20 0 GDADMM CC(C)c1cc(C(=O)N[C@H](C)CCNc2nccnc2-c2nnn[n-]2)n(C)n1 ZINC001574696210 949124444 /nfs/dbraw/zinc/12/44/44/949124444.db2.gz NDIDZUKQFYZUAF-LLVKDONJSA-N -1 1 384.448 1.134 20 0 GDADMM CC(C)c1cc(C(=O)N[C@H](C)CCNc2nccnc2-c2nn[n-]n2)n(C)n1 ZINC001574696210 949124461 /nfs/dbraw/zinc/12/44/61/949124461.db2.gz NDIDZUKQFYZUAF-LLVKDONJSA-N -1 1 384.448 1.134 20 0 GDADMM CC(C)(C(=O)NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1)C(F)(F)F ZINC001573782754 949133996 /nfs/dbraw/zinc/13/39/96/949133996.db2.gz XSJWITFYCGUQOE-UHFFFAOYSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(C(=O)NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1)C(F)(F)F ZINC001573782754 949134006 /nfs/dbraw/zinc/13/40/06/949134006.db2.gz XSJWITFYCGUQOE-UHFFFAOYSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)c1occc1C(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001574446440 949134117 /nfs/dbraw/zinc/13/41/17/949134117.db2.gz PZXFRCCZNWVRDQ-ZDUSSCGKSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1occc1C(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001574446440 949134133 /nfs/dbraw/zinc/13/41/33/949134133.db2.gz PZXFRCCZNWVRDQ-ZDUSSCGKSA-N -1 1 382.428 1.994 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)C1=CCOCC1 ZINC001574696630 949136594 /nfs/dbraw/zinc/13/65/94/949136594.db2.gz SPQNESRURBGHLT-MRVPVSSYSA-N -1 1 383.865 1.630 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)C1=CCOCC1 ZINC001574696630 949136602 /nfs/dbraw/zinc/13/66/02/949136602.db2.gz SPQNESRURBGHLT-MRVPVSSYSA-N -1 1 383.865 1.630 20 0 GDADMM C[C@@H](NC(=O)C1(Cc2ccccc2)CC1)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575251366 949138953 /nfs/dbraw/zinc/13/89/53/949138953.db2.gz AZEKASDLOGRUDY-ZIAGYGMSSA-N -1 1 392.467 1.985 20 0 GDADMM C[C@@H](NC(=O)C1(Cc2ccccc2)CC1)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575251366 949138963 /nfs/dbraw/zinc/13/89/63/949138963.db2.gz AZEKASDLOGRUDY-ZIAGYGMSSA-N -1 1 392.467 1.985 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)[C@@H]1CC1(F)F ZINC001574696835 949140663 /nfs/dbraw/zinc/14/06/63/949140663.db2.gz VOGTYVPQFMGKSJ-WDSKDSINSA-N -1 1 377.808 1.939 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@@H]1CC1(F)F ZINC001574696835 949140685 /nfs/dbraw/zinc/14/06/85/949140685.db2.gz VOGTYVPQFMGKSJ-WDSKDSINSA-N -1 1 377.808 1.939 20 0 GDADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)C1(Cc2ccccc2)CC1 ZINC001575251593 949144453 /nfs/dbraw/zinc/14/44/53/949144453.db2.gz BPVJADAINOOXOO-KGLIPLIRSA-N -1 1 392.467 1.407 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574446951 949146003 /nfs/dbraw/zinc/14/60/03/949146003.db2.gz CDVJEMRWONVNFO-NSHDSACASA-N -1 1 383.416 1.024 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574446951 949146021 /nfs/dbraw/zinc/14/60/21/949146021.db2.gz CDVJEMRWONVNFO-NSHDSACASA-N -1 1 383.416 1.024 20 0 GDADMM C[C@@H](CNC(=O)COc1ccccc1F)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574934356 949153894 /nfs/dbraw/zinc/15/38/94/949153894.db2.gz GCQMDQFMHYODRK-LLVKDONJSA-N -1 1 386.391 1.039 20 0 GDADMM C[C@@H](CNC(=O)COc1ccccc1F)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574934356 949153910 /nfs/dbraw/zinc/15/39/10/949153910.db2.gz GCQMDQFMHYODRK-LLVKDONJSA-N -1 1 386.391 1.039 20 0 GDADMM C[C@@H](NC(=O)C12CCC(CC1)C2(C)C)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575252069 949155177 /nfs/dbraw/zinc/15/51/77/949155177.db2.gz DRGMQEYRIVBPEP-HGKLQBSUSA-N -1 1 384.488 1.600 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)NC1(CNc2nccnc2-c2nnn[n-]2)CCOCC1 ZINC001574095940 949156607 /nfs/dbraw/zinc/15/66/07/949156607.db2.gz ZTCJNHBAIMHJFB-OLZOCXBDSA-N -1 1 386.460 1.026 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)NC1(CNc2nccnc2-c2nn[n-]n2)CCOCC1 ZINC001574095940 949156620 /nfs/dbraw/zinc/15/66/20/949156620.db2.gz ZTCJNHBAIMHJFB-OLZOCXBDSA-N -1 1 386.460 1.026 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H](F)Cc1ccccc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574697869 949163116 /nfs/dbraw/zinc/16/31/16/949163116.db2.gz CRXRUYHQTTULIL-OCCSQVGLSA-N -1 1 384.419 1.496 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H](F)Cc1ccccc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574697869 949163125 /nfs/dbraw/zinc/16/31/25/949163125.db2.gz CRXRUYHQTTULIL-OCCSQVGLSA-N -1 1 384.419 1.496 20 0 GDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](C)NC(=O)C1(C(F)(F)F)CCC1 ZINC001575253507 949190750 /nfs/dbraw/zinc/19/07/50/949190750.db2.gz UMIVDJTYDSOQPR-BDAKNGLRSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](C)NC(=O)C1(C(F)(F)F)CCC1 ZINC001575253507 949190738 /nfs/dbraw/zinc/19/07/38/949190738.db2.gz UMIVDJTYDSOQPR-BDAKNGLRSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(F)c(F)c1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574935385 949200634 /nfs/dbraw/zinc/20/06/34/949200634.db2.gz BCTXUZBHDBPOTB-SNVBAGLBSA-N -1 1 388.382 1.342 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(F)c(F)c1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574935385 949200655 /nfs/dbraw/zinc/20/06/55/949200655.db2.gz BCTXUZBHDBPOTB-SNVBAGLBSA-N -1 1 388.382 1.342 20 0 GDADMM C[C@@H](CNC(=O)Cc1c(F)cccc1F)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574936255 949215946 /nfs/dbraw/zinc/21/59/46/949215946.db2.gz JBEKQYFOQZKKGL-JTQLQIEISA-N -1 1 388.382 1.119 20 0 GDADMM CC(C)(C)C(=O)N1CCC([C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001573791560 949221048 /nfs/dbraw/zinc/22/10/48/949221048.db2.gz BYOAGTFVWIMGDW-CQSZACIVSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)(C)C(=O)N1CCC([C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001573791560 949221070 /nfs/dbraw/zinc/22/10/70/949221070.db2.gz BYOAGTFVWIMGDW-CQSZACIVSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H]1CCC[C@H](C(=O)NC2(C)CCN(c3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001576151694 949229976 /nfs/dbraw/zinc/22/99/76/949229976.db2.gz IBZKGFLWMRIEGX-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCC[C@H](C(=O)NC2(C)CCN(c3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001576151694 949229996 /nfs/dbraw/zinc/22/99/96/949229996.db2.gz IBZKGFLWMRIEGX-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)c1scnc1C(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574451352 949232207 /nfs/dbraw/zinc/23/22/07/949232207.db2.gz NSQUESANCBENML-UHFFFAOYSA-N -1 1 385.457 1.199 20 0 GDADMM CC(C)c1scnc1C(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574451352 949232232 /nfs/dbraw/zinc/23/22/32/949232232.db2.gz NSQUESANCBENML-UHFFFAOYSA-N -1 1 385.457 1.199 20 0 GDADMM C[C@H]1CCC[C@H](OCC(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001576151967 949236535 /nfs/dbraw/zinc/23/65/35/949236535.db2.gz HGRYZQMDUVSETK-JSGCOSHPSA-N -1 1 390.513 1.824 20 0 GDADMM CC(C)(C)C(=O)N1CCC([C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001573792136 949238107 /nfs/dbraw/zinc/23/81/07/949238107.db2.gz LRDNOCXLRPKGKV-CQSZACIVSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)(C)C(=O)N1CCC([C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001573792136 949238126 /nfs/dbraw/zinc/23/81/26/949238126.db2.gz LRDNOCXLRPKGKV-CQSZACIVSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)c1oncc1C(=O)NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574451528 949240320 /nfs/dbraw/zinc/24/03/20/949240320.db2.gz QYGYFVZIJNXKRT-UHFFFAOYSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1oncc1C(=O)NCC1CC(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574451528 949240336 /nfs/dbraw/zinc/24/03/36/949240336.db2.gz QYGYFVZIJNXKRT-UHFFFAOYSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)n1cc(C(=O)N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)cn1 ZINC001574451936 949247402 /nfs/dbraw/zinc/24/74/02/949247402.db2.gz BDWHFXAFSSDXKT-ZDUSSCGKSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1cc(C(=O)N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)cn1 ZINC001574451936 949247427 /nfs/dbraw/zinc/24/74/27/949247427.db2.gz BDWHFXAFSSDXKT-ZDUSSCGKSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1cc(C(=O)NCC2CC(Nc3ccc(-c4nnn[n-]4)nn3)C2)cn1 ZINC001574451954 949247638 /nfs/dbraw/zinc/24/76/38/949247638.db2.gz BTXHDEXCTAKZJX-UHFFFAOYSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cc(C(=O)NCC2CC(Nc3ccc(-c4nn[n-]n4)nn3)C2)cn1 ZINC001574451954 949247659 /nfs/dbraw/zinc/24/76/59/949247659.db2.gz BTXHDEXCTAKZJX-UHFFFAOYSA-N -1 1 382.432 1.055 20 0 GDADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)C(C2CC2)C2CC2)CC1 ZINC001575856480 949248029 /nfs/dbraw/zinc/24/80/29/949248029.db2.gz GAVULWBHBFNAQS-UHFFFAOYSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)C(C2CC2)C2CC2)CC1 ZINC001575856480 949248047 /nfs/dbraw/zinc/24/80/47/949248047.db2.gz GAVULWBHBFNAQS-UHFFFAOYSA-N -1 1 382.472 1.886 20 0 GDADMM CC(C)CC(=O)N1CC2(C[C@H]1C)CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001574103518 949253260 /nfs/dbraw/zinc/25/32/60/949253260.db2.gz VQOAVWXLKFSBDD-CQSZACIVSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CC(=O)N1CC2(C[C@H]1C)CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001574103518 949253278 /nfs/dbraw/zinc/25/32/78/949253278.db2.gz VQOAVWXLKFSBDD-CQSZACIVSA-N -1 1 384.488 1.910 20 0 GDADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC001575857118 949262884 /nfs/dbraw/zinc/26/28/84/949262884.db2.gz NSMKCBFATYNSRW-UHFFFAOYSA-N -1 1 387.835 1.745 20 0 GDADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC001575857118 949262901 /nfs/dbraw/zinc/26/29/01/949262901.db2.gz NSMKCBFATYNSRW-UHFFFAOYSA-N -1 1 387.835 1.745 20 0 GDADMM C[C@H](CNC(=O)Cc1cccnc1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574940737 949274172 /nfs/dbraw/zinc/27/41/72/949274172.db2.gz JLXHZSNBMJECDO-MRVPVSSYSA-N -1 1 378.849 1.531 20 0 GDADMM C[C@H](CNC(=O)Cc1cccnc1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574940737 949274195 /nfs/dbraw/zinc/27/41/95/949274195.db2.gz JLXHZSNBMJECDO-MRVPVSSYSA-N -1 1 378.849 1.531 20 0 GDADMM CC1=C(C)C[C@@](C)(C(=O)NC[C@H](O)CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001575860250 949291027 /nfs/dbraw/zinc/29/10/27/949291027.db2.gz FEOMKBWSZQYCEY-ACJLOTCBSA-N -1 1 386.460 1.072 20 0 GDADMM CC1=C(C)C[C@@](C)(C(=O)NC[C@H](O)CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001575860250 949291042 /nfs/dbraw/zinc/29/10/42/949291042.db2.gz FEOMKBWSZQYCEY-ACJLOTCBSA-N -1 1 386.460 1.072 20 0 GDADMM C[C@H]1CCC[C@@H]1CC(=O)NCC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001576153753 949296897 /nfs/dbraw/zinc/29/68/97/949296897.db2.gz ATPVAMGSLBQJKN-DZGCQCFKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H]1CCC[C@@H]1CC(=O)NCC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001576153753 949296920 /nfs/dbraw/zinc/29/69/20/949296920.db2.gz ATPVAMGSLBQJKN-DZGCQCFKSA-N -1 1 384.488 1.816 20 0 GDADMM CC1=C(C)C[C@@H](C(=O)NC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C)CC1 ZINC001575860899 949306315 /nfs/dbraw/zinc/30/63/15/949306315.db2.gz LUUJDVWRKMLCFK-OWCLPIDISA-N -1 1 396.499 1.982 20 0 GDADMM CC1=C(C)C[C@@H](C(=O)NC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C)CC1 ZINC001575860899 949306336 /nfs/dbraw/zinc/30/63/36/949306336.db2.gz LUUJDVWRKMLCFK-OWCLPIDISA-N -1 1 396.499 1.982 20 0 GDADMM CC(C)n1ccc(C(=O)N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001574457160 949314733 /nfs/dbraw/zinc/31/47/33/949314733.db2.gz ATVRXUWNHVDVCM-LBPRGKRZSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1ccc(C(=O)N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001574457160 949314754 /nfs/dbraw/zinc/31/47/54/949314754.db2.gz ATVRXUWNHVDVCM-LBPRGKRZSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@@H](NC(=O)C1=COCCC1)[C@@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001575259188 949324253 /nfs/dbraw/zinc/32/42/53/949324253.db2.gz NMQWPECRKMHULE-HTQZYQBOSA-N -1 1 383.865 1.976 20 0 GDADMM C[C@@H](NC(=O)C1=COCCC1)[C@@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575259188 949324275 /nfs/dbraw/zinc/32/42/75/949324275.db2.gz NMQWPECRKMHULE-HTQZYQBOSA-N -1 1 383.865 1.976 20 0 GDADMM CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001573795348 949328176 /nfs/dbraw/zinc/32/81/76/949328176.db2.gz MFRCWPHYDYCTIU-SECBINFHSA-N -1 1 390.473 1.353 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc2c(c1)CCCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574942123 949331021 /nfs/dbraw/zinc/33/10/21/949331021.db2.gz VVVOZKZIRLPZBA-CYBMUJFWSA-N -1 1 392.467 1.695 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc2c(c1)CCCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574942123 949331042 /nfs/dbraw/zinc/33/10/42/949331042.db2.gz VVVOZKZIRLPZBA-CYBMUJFWSA-N -1 1 392.467 1.695 20 0 GDADMM CC(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573796726 949340580 /nfs/dbraw/zinc/34/05/80/949340580.db2.gz URJZFXYYOCTOPL-PSASIEDQSA-N -1 1 384.366 1.504 20 0 GDADMM CC(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573796726 949340592 /nfs/dbraw/zinc/34/05/92/949340592.db2.gz URJZFXYYOCTOPL-PSASIEDQSA-N -1 1 384.366 1.504 20 0 GDADMM CC(C)n1ccc(C(=O)N[C@@H]2CCCC[C@H]2Nc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001574458611 949340883 /nfs/dbraw/zinc/34/08/83/949340883.db2.gz UKLIFHQKTBKQMG-CHWSQXEVSA-N -1 1 396.459 1.587 20 0 GDADMM CC(C)n1ccc(C(=O)N[C@@H]2CCCC[C@H]2Nc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001574458611 949340900 /nfs/dbraw/zinc/34/09/00/949340900.db2.gz UKLIFHQKTBKQMG-CHWSQXEVSA-N -1 1 396.459 1.587 20 0 GDADMM C[C@@H]1CCC[C@@H]1CC(=O)NCC1=CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001576154794 949367157 /nfs/dbraw/zinc/36/71/57/949367157.db2.gz FEKVTKKMLFVWSM-UKRRQHHQSA-N -1 1 382.472 1.736 20 0 GDADMM C[C@@H]1CCC[C@@H]1CC(=O)NCC1=CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001576154794 949367179 /nfs/dbraw/zinc/36/71/79/949367179.db2.gz FEKVTKKMLFVWSM-UKRRQHHQSA-N -1 1 382.472 1.736 20 0 GDADMM C[C@H]1CCC[C@H](C(=O)N2CCC(CNc3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001576154933 949370738 /nfs/dbraw/zinc/37/07/38/949370738.db2.gz RPWVGBMDZZZJQJ-ZFWWWQNUSA-N -1 1 384.488 1.555 20 0 GDADMM CC(C)(C)C(=O)N[C@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C[C@@H]1O ZINC001573799393 949371548 /nfs/dbraw/zinc/37/15/48/949371548.db2.gz LZZTZGAPSUGKTF-YUMQZZPRSA-N -1 1 385.881 1.079 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ccn[nH]1 ZINC001576155031 949378521 /nfs/dbraw/zinc/37/85/21/949378521.db2.gz GDEYPFABYSHMLV-GTNSWQLSSA-N -1 1 382.432 1.171 20 0 GDADMM C[C@H](CN(C)C(=O)C1[C@H]2CCCCCC[C@H]12)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574704491 949387450 /nfs/dbraw/zinc/38/74/50/949387450.db2.gz NLIAKYTVPZZHGE-RDBSUJKOSA-N -1 1 384.488 1.554 20 0 GDADMM C[C@H](CN(C)C(=O)C1[C@@H]2CCCCCC[C@@H]12)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574704489 949390265 /nfs/dbraw/zinc/39/02/65/949390265.db2.gz NLIAKYTVPZZHGE-MGPQQGTHSA-N -1 1 384.488 1.554 20 0 GDADMM C[C@@H](CNC(=O)Cc1cnoc1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574944364 949393648 /nfs/dbraw/zinc/39/36/48/949393648.db2.gz BIYAVTIFYBNRRK-ZETCQYMHSA-N -1 1 382.837 1.372 20 0 GDADMM CC1(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cnc(-c3nnn[n-]3)cn2)CC(F)(F)C1 ZINC001575528552 949399472 /nfs/dbraw/zinc/39/94/72/949399472.db2.gz WONVVIKKWUUSTK-PHIMTYICSA-N -1 1 390.398 1.272 20 0 GDADMM CC1(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cnc(-c3nn[n-]n3)cn2)CC(F)(F)C1 ZINC001575528552 949399492 /nfs/dbraw/zinc/39/94/92/949399492.db2.gz WONVVIKKWUUSTK-PHIMTYICSA-N -1 1 390.398 1.272 20 0 GDADMM C[C@@H](CNC(=O)Cc1ncc[nH]1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001574944864 949400828 /nfs/dbraw/zinc/40/08/28/949400828.db2.gz HNUILMIWPIMAAC-ZETCQYMHSA-N -1 1 381.853 1.107 20 0 GDADMM C[C@@H](CNC(=O)Cc1ncc[nH]1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001574944864 949400837 /nfs/dbraw/zinc/40/08/37/949400837.db2.gz HNUILMIWPIMAAC-ZETCQYMHSA-N -1 1 381.853 1.107 20 0 GDADMM CC(C)n1cccc1C(=O)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001574464203 949401720 /nfs/dbraw/zinc/40/17/20/949401720.db2.gz FDSXCZHVZAKPIL-UHFFFAOYSA-N -1 1 381.444 1.392 20 0 GDADMM CC(C)n1cccc1C(=O)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001574464203 949401739 /nfs/dbraw/zinc/40/17/39/949401739.db2.gz FDSXCZHVZAKPIL-UHFFFAOYSA-N -1 1 381.444 1.392 20 0 GDADMM CC(C)n1cccc1C(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574464248 949402133 /nfs/dbraw/zinc/40/21/33/949402133.db2.gz HQVZPOAJBPCHBH-CYBMUJFWSA-N -1 1 381.444 1.756 20 0 GDADMM CC(C)n1cccc1C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574464248 949402149 /nfs/dbraw/zinc/40/21/49/949402149.db2.gz HQVZPOAJBPCHBH-CYBMUJFWSA-N -1 1 381.444 1.756 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2(C(C)(F)F)CC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575866384 949406251 /nfs/dbraw/zinc/40/62/51/949406251.db2.gz FQJDVIKWKWTZRE-QWRGUYRKSA-N -1 1 392.414 1.566 20 0 GDADMM CC(C)n1cnc(C(=O)N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001574465000 949424553 /nfs/dbraw/zinc/42/45/53/949424553.db2.gz SJLKYFLUPCXOPZ-LBPRGKRZSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1cnc(C(=O)N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001574465000 949424567 /nfs/dbraw/zinc/42/45/67/949424567.db2.gz SJLKYFLUPCXOPZ-LBPRGKRZSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574465102 949427695 /nfs/dbraw/zinc/42/76/95/949427695.db2.gz NQTCZUMOCJLBMU-ZDUSSCGKSA-N -1 1 381.444 1.295 20 0 GDADMM CC(C)(C)C(=O)NC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCC1(F)F ZINC001573802927 949430907 /nfs/dbraw/zinc/43/09/07/949430907.db2.gz MMESJPLEFCZJMQ-JTQLQIEISA-N -1 1 380.403 1.281 20 0 GDADMM CC(C)(C)C(=O)NC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCC1(F)F ZINC001573802927 949430926 /nfs/dbraw/zinc/43/09/26/949430926.db2.gz MMESJPLEFCZJMQ-JTQLQIEISA-N -1 1 380.403 1.281 20 0 GDADMM C[C@@]1(C(=O)N2CCC(CNc3cncc(-c4nnn[n-]4)n3)CC2)CCCOC1 ZINC001575535091 949436655 /nfs/dbraw/zinc/43/66/55/949436655.db2.gz SBRZURVWMGSACB-GOSISDBHSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@@]1(C(=O)N2CCC(CNc3cncc(-c4nn[n-]n4)n3)CC2)CCCOC1 ZINC001575535091 949436663 /nfs/dbraw/zinc/43/66/63/949436663.db2.gz SBRZURVWMGSACB-GOSISDBHSA-N -1 1 386.460 1.124 20 0 GDADMM CC1(C(=O)N2CCC([C@H]3CCCN3c3cncc(-c4nnn[n-]4)n3)CC2)CC1 ZINC001575535352 949443691 /nfs/dbraw/zinc/44/36/91/949443691.db2.gz VTRAERYOJTXGMH-OAHLLOKOSA-N -1 1 382.472 1.664 20 0 GDADMM CC1(C(=O)N2CCC([C@H]3CCCN3c3cncc(-c4nn[n-]n4)n3)CC2)CC1 ZINC001575535352 949443704 /nfs/dbraw/zinc/44/37/04/949443704.db2.gz VTRAERYOJTXGMH-OAHLLOKOSA-N -1 1 382.472 1.664 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1=CCCC1 ZINC001576156576 949450439 /nfs/dbraw/zinc/45/04/39/949450439.db2.gz NDQXWCNFYOWNCY-BFUOFWGJSA-N -1 1 382.472 1.666 20 0 GDADMM C[C@@H](NC(=O)CCC(F)F)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575266440 949475255 /nfs/dbraw/zinc/47/52/55/949475255.db2.gz CZEXOVVTRBXKCG-GHMZBOCLSA-N -1 1 380.403 1.423 20 0 GDADMM CC(C)CC(=O)NC[C@H]1c2ccccc2CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001574117971 949485591 /nfs/dbraw/zinc/48/55/91/949485591.db2.gz CAJHHTSKBPNESG-KRWDZBQOSA-N -1 1 392.467 1.923 20 0 GDADMM CC(C)CC(=O)NC[C@H]1c2ccccc2CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001574117971 949485603 /nfs/dbraw/zinc/48/56/03/949485603.db2.gz CAJHHTSKBPNESG-KRWDZBQOSA-N -1 1 392.467 1.923 20 0 GDADMM C[C@@H]1[C@H](CO)CCN1C(=O)Nc1ccc(Br)c(-c2nnn[n-]2)n1 ZINC001575870307 949486361 /nfs/dbraw/zinc/48/63/61/949486361.db2.gz UJIKONFQWZRRHO-SFYZADRCSA-N -1 1 382.222 1.259 20 0 GDADMM C[C@@H]1[C@H](CO)CCN1C(=O)Nc1ccc(Br)c(-c2nn[n-]n2)n1 ZINC001575870307 949486369 /nfs/dbraw/zinc/48/63/69/949486369.db2.gz UJIKONFQWZRRHO-SFYZADRCSA-N -1 1 382.222 1.259 20 0 GDADMM CC(C)n1nccc1C(=O)NC1CC(CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574470399 949497094 /nfs/dbraw/zinc/49/70/94/949497094.db2.gz PBQGNTHVDRAEFO-UHFFFAOYSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1nccc1C(=O)NC1CC(CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574470399 949497108 /nfs/dbraw/zinc/49/71/08/949497108.db2.gz PBQGNTHVDRAEFO-UHFFFAOYSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@@H]1CCC[C@@H]1CC(=O)NC1(C)CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001576158593 949499187 /nfs/dbraw/zinc/49/91/87/949499187.db2.gz UKSUQUXWBFCUTO-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCC[C@@H]1CC(=O)NC1(C)CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001576158593 949499200 /nfs/dbraw/zinc/49/92/00/949499200.db2.gz UKSUQUXWBFCUTO-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCC[C@H]1CC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001576159035 949510572 /nfs/dbraw/zinc/51/05/72/949510572.db2.gz VYTIKYFPDDQAOZ-KBPBESRZSA-N -1 1 384.488 1.746 20 0 GDADMM C[C@H]1CCCC[C@@H]1OCC(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001576163410 949530633 /nfs/dbraw/zinc/53/06/33/949530633.db2.gz AXCAFSINMZBUOT-WFASDCNBSA-N -1 1 390.513 1.824 20 0 GDADMM C[C@@H]1CCCC[C@@H]1OCC(=O)NCCCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001576163577 949534108 /nfs/dbraw/zinc/53/41/08/949534108.db2.gz CCCHSLHSABVOSU-KGLIPLIRSA-N -1 1 388.476 1.195 20 0 GDADMM C[C@@]1(C(=O)N2CCC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CCCOC1 ZINC001575539545 949545612 /nfs/dbraw/zinc/54/56/12/949545612.db2.gz QMAFLOVRXNKRPC-FZKQIMNGSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@@]1(C(=O)N2CCC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CCCOC1 ZINC001575539545 949545632 /nfs/dbraw/zinc/54/56/32/949545632.db2.gz QMAFLOVRXNKRPC-FZKQIMNGSA-N -1 1 386.460 1.124 20 0 GDADMM CC(C)C[C@H](C(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1ccccc1 ZINC001574124979 949580753 /nfs/dbraw/zinc/58/07/53/949580753.db2.gz MXAJKLBBAZWDNA-AWEZNQCLSA-N -1 1 397.439 1.075 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1CCc2ccccc2C1)Nc1nccnc1-c1nnn[n-]1 ZINC001574712754 949588807 /nfs/dbraw/zinc/58/88/07/949588807.db2.gz UFIXRGNQXSDHKC-BBRMVZONSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1CCc2ccccc2C1)Nc1nccnc1-c1nn[n-]n1 ZINC001574712754 949588834 /nfs/dbraw/zinc/58/88/34/949588834.db2.gz UFIXRGNQXSDHKC-BBRMVZONSA-N -1 1 392.467 1.721 20 0 GDADMM CC(C)C[C@H](C(=O)NC[C@H](C)Nc1cncc(-c2nnn[n-]2)n1)n1ccnc1 ZINC001574126085 949600165 /nfs/dbraw/zinc/60/01/65/949600165.db2.gz ZFTKHQCAQYMMQC-GXTWGEPZSA-N -1 1 384.448 1.057 20 0 GDADMM CC(C)C[C@H](C(=O)NC[C@H](C)Nc1cncc(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574126085 949600175 /nfs/dbraw/zinc/60/01/75/949600175.db2.gz ZFTKHQCAQYMMQC-GXTWGEPZSA-N -1 1 384.448 1.057 20 0 GDADMM C[C@@H](NC(=O)CCCc1ccccc1)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575271344 949617907 /nfs/dbraw/zinc/61/79/07/949617907.db2.gz JSAICWLXRPOYTK-ZIAGYGMSSA-N -1 1 380.456 1.985 20 0 GDADMM C[C@@H](NC(=O)CCCc1ccccc1)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575271344 949617922 /nfs/dbraw/zinc/61/79/22/949617922.db2.gz JSAICWLXRPOYTK-ZIAGYGMSSA-N -1 1 380.456 1.985 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001574476775 949618920 /nfs/dbraw/zinc/61/89/20/949618920.db2.gz JUVCFHCISGZJEU-UONOGXRCSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001574476775 949618929 /nfs/dbraw/zinc/61/89/29/949618929.db2.gz JUVCFHCISGZJEU-UONOGXRCSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@H](C)c1ccncc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574714096 949621872 /nfs/dbraw/zinc/62/18/72/949621872.db2.gz BYDXQSCBXIIXOR-STQMWFEESA-N -1 1 381.444 1.504 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@H](C)c1ccncc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574714096 949621894 /nfs/dbraw/zinc/62/18/94/949621894.db2.gz BYDXQSCBXIIXOR-STQMWFEESA-N -1 1 381.444 1.504 20 0 GDADMM C[C@H](CC(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1)c1ccncc1 ZINC001574714540 949629179 /nfs/dbraw/zinc/62/91/79/949629179.db2.gz FEPQJOOSAOAACM-OLZOCXBDSA-N -1 1 381.444 1.504 20 0 GDADMM C[C@H](CC(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1)c1ccncc1 ZINC001574714540 949629192 /nfs/dbraw/zinc/62/91/92/949629192.db2.gz FEPQJOOSAOAACM-OLZOCXBDSA-N -1 1 381.444 1.504 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574957797 949634089 /nfs/dbraw/zinc/63/40/89/949634089.db2.gz IQZRBTVIYLLREJ-MAZHCROVSA-N -1 1 392.467 1.435 20 0 GDADMM C[C@H]1CCCC[C@H]1C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001576168346 949636327 /nfs/dbraw/zinc/63/63/27/949636327.db2.gz GMQBBROWXRTITC-GXTWGEPZSA-N -1 1 390.513 1.417 20 0 GDADMM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1)CC(C)(C)C ZINC001574477126 949638042 /nfs/dbraw/zinc/63/80/42/949638042.db2.gz OTLSUUBNYAQYAU-OLZOCXBDSA-N -1 1 390.492 1.350 20 0 GDADMM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1)CC(C)(C)C ZINC001574477126 949638056 /nfs/dbraw/zinc/63/80/56/949638056.db2.gz OTLSUUBNYAQYAU-OLZOCXBDSA-N -1 1 390.492 1.350 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CC2CC(F)(F)C2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575876234 949640682 /nfs/dbraw/zinc/64/06/82/949640682.db2.gz XKRCKDMJURPVQR-PWSUYJOCSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CC2CC(F)(F)C2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575876234 949640698 /nfs/dbraw/zinc/64/06/98/949640698.db2.gz XKRCKDMJURPVQR-PWSUYJOCSA-N -1 1 392.414 1.566 20 0 GDADMM CC(C)CC(C)(C)C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001574131800 949667555 /nfs/dbraw/zinc/66/75/55/949667555.db2.gz KSJWZSKUQQGYFH-ZIAGYGMSSA-N -1 1 386.504 1.918 20 0 GDADMM CC(C)CC(C)(C)C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001574131800 949667574 /nfs/dbraw/zinc/66/75/74/949667574.db2.gz KSJWZSKUQQGYFH-ZIAGYGMSSA-N -1 1 386.504 1.918 20 0 GDADMM CC1(C(=O)N2CCC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)CC(F)(F)C1 ZINC001575548311 949670791 /nfs/dbraw/zinc/67/07/91/949670791.db2.gz ZUDADXLSIZRCMQ-SNVBAGLBSA-N -1 1 378.387 1.495 20 0 GDADMM CC1(C(=O)N2CCC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)CC(F)(F)C1 ZINC001575548311 949670804 /nfs/dbraw/zinc/67/08/04/949670804.db2.gz ZUDADXLSIZRCMQ-SNVBAGLBSA-N -1 1 378.387 1.495 20 0 GDADMM C[C@@H](CNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574958589 949679114 /nfs/dbraw/zinc/67/91/14/949679114.db2.gz TWAIBWCMAXXICC-AGKSTNPPSA-N -1 1 392.467 1.791 20 0 GDADMM C[C@@H](CNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574958589 949679137 /nfs/dbraw/zinc/67/91/37/949679137.db2.gz TWAIBWCMAXXICC-AGKSTNPPSA-N -1 1 392.467 1.791 20 0 GDADMM C[C@H]1[C@@H](NC(=O)COC2CCCC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575878766 949680029 /nfs/dbraw/zinc/68/00/29/949680029.db2.gz OXXCHJVZJXSTLN-JSGCOSHPSA-N -1 1 386.460 1.089 20 0 GDADMM C[C@H]1[C@@H](NC(=O)COC2CCCC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575878766 949680044 /nfs/dbraw/zinc/68/00/44/949680044.db2.gz OXXCHJVZJXSTLN-JSGCOSHPSA-N -1 1 386.460 1.089 20 0 GDADMM C[C@H]1CCCC[C@H]1CC(=O)N(CCO)CCNc1nccnc1-c1nnn[n-]1 ZINC001576169456 949680320 /nfs/dbraw/zinc/68/03/20/949680320.db2.gz JIODFKNWSNQGLB-KBPBESRZSA-N -1 1 388.476 1.106 20 0 GDADMM C[C@H]1CCCC[C@H]1CC(=O)N(CCO)CCNc1nccnc1-c1nn[n-]n1 ZINC001576169456 949680333 /nfs/dbraw/zinc/68/03/33/949680333.db2.gz JIODFKNWSNQGLB-KBPBESRZSA-N -1 1 388.476 1.106 20 0 GDADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001573816590 949680864 /nfs/dbraw/zinc/68/08/64/949680864.db2.gz SOURJGIRZUIVQD-JMERFSKESA-N -1 1 384.488 1.602 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1ccncc1F ZINC001573816743 949684659 /nfs/dbraw/zinc/68/46/59/949684659.db2.gz UZXGSFCDSJPSMW-CYBMUJFWSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ccncc1F ZINC001573816743 949684672 /nfs/dbraw/zinc/68/46/72/949684672.db2.gz UZXGSFCDSJPSMW-CYBMUJFWSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CC[C@@H]1CCOC1 ZINC001573818036 949714299 /nfs/dbraw/zinc/71/42/99/949714299.db2.gz FESAEZKOEZUPSP-TZMCWYRMSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CC[C@@H]1CCOC1 ZINC001573818036 949714310 /nfs/dbraw/zinc/71/43/10/949714310.db2.gz FESAEZKOEZUPSP-TZMCWYRMSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@@H](CN(C)C(=O)CCCC1CCOCC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574717345 949733611 /nfs/dbraw/zinc/73/36/11/949733611.db2.gz PDLUVOWWFPXAJR-ZDUSSCGKSA-N -1 1 388.476 1.512 20 0 GDADMM C[C@@H](CN(C)C(=O)CCCC1CCOCC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574717345 949733622 /nfs/dbraw/zinc/73/36/22/949733622.db2.gz PDLUVOWWFPXAJR-ZDUSSCGKSA-N -1 1 388.476 1.512 20 0 GDADMM C[C@@H]1CCCN(C(=O)CCCC2CC2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576171014 949745712 /nfs/dbraw/zinc/74/57/12/949745712.db2.gz OPPPYUHDNLKFQO-UKRRQHHQSA-N -1 1 384.488 1.698 20 0 GDADMM C[C@@H](CC(=O)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1)C(F)(F)F ZINC001574480201 949746915 /nfs/dbraw/zinc/74/69/15/949746915.db2.gz HKLLSRIEFGZAFE-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](CC(=O)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1)C(F)(F)F ZINC001574480201 949746931 /nfs/dbraw/zinc/74/69/31/949746931.db2.gz HKLLSRIEFGZAFE-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574481020 949762424 /nfs/dbraw/zinc/76/24/24/949762424.db2.gz MCUJIEJCWGYVHR-HUUCEWRRSA-N -1 1 392.467 1.533 20 0 GDADMM CC1(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(c2nccnc2-c2nnn[n-]2)C3)CCCC1 ZINC001575561082 949804094 /nfs/dbraw/zinc/80/40/94/949804094.db2.gz ZLFFILYXUAWRDJ-MJBXVCDLSA-N -1 1 382.472 1.711 20 0 GDADMM CC1(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(c2nccnc2-c2nn[n-]n2)C3)CCCC1 ZINC001575561082 949804115 /nfs/dbraw/zinc/80/41/15/949804115.db2.gz ZLFFILYXUAWRDJ-MJBXVCDLSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H](CN(C)C(=O)CCc1ccccc1F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574721213 949814706 /nfs/dbraw/zinc/81/47/06/949814706.db2.gz LBQOOFCBAOJXCM-GFCCVEGCSA-N -1 1 384.419 1.687 20 0 GDADMM C[C@H](CN(C)C(=O)CCc1ccccc1F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574721213 949814730 /nfs/dbraw/zinc/81/47/30/949814730.db2.gz LBQOOFCBAOJXCM-GFCCVEGCSA-N -1 1 384.419 1.687 20 0 GDADMM C[C@@H]1CCCN(C(=O)CCC2(C)CC2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576172861 949823605 /nfs/dbraw/zinc/82/36/05/949823605.db2.gz YSRAVRTZXBOMPN-KGLIPLIRSA-N -1 1 384.488 1.698 20 0 GDADMM CC1(C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)CC(F)(F)C1 ZINC001575562780 949830951 /nfs/dbraw/zinc/83/09/51/949830951.db2.gz IPKCYXUXJIJSEM-SNVBAGLBSA-N -1 1 378.387 1.177 20 0 GDADMM CC1(C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)CC(F)(F)C1 ZINC001575562780 949830975 /nfs/dbraw/zinc/83/09/75/949830975.db2.gz IPKCYXUXJIJSEM-SNVBAGLBSA-N -1 1 378.387 1.177 20 0 GDADMM C[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574966055 949833273 /nfs/dbraw/zinc/83/32/73/949833273.db2.gz SQXGTAHOXDUEGK-YUELXQCFSA-N -1 1 378.440 1.401 20 0 GDADMM C[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574966055 949833297 /nfs/dbraw/zinc/83/32/97/949833297.db2.gz SQXGTAHOXDUEGK-YUELXQCFSA-N -1 1 378.440 1.401 20 0 GDADMM C[C@H]1CCCC[C@@H]1C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001576173769 949844427 /nfs/dbraw/zinc/84/44/27/949844427.db2.gz YSIQKXHWAMVTQH-XQLPTFJDSA-N -1 1 382.472 1.378 20 0 GDADMM CC1(C(=O)N[C@H]2CCC[C@H]2CNc2cnc(-c3nnn[n-]3)cn2)CC(F)(F)C1 ZINC001575563962 949849828 /nfs/dbraw/zinc/84/98/28/949849828.db2.gz NGDNFGAJHRODBW-QWRGUYRKSA-N -1 1 392.414 1.789 20 0 GDADMM CC1(C(=O)N[C@H]2CCC[C@H]2CNc2cnc(-c3nn[n-]n3)cn2)CC(F)(F)C1 ZINC001575563962 949849849 /nfs/dbraw/zinc/84/98/49/949849849.db2.gz NGDNFGAJHRODBW-QWRGUYRKSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574484038 949852473 /nfs/dbraw/zinc/85/24/73/949852473.db2.gz CTIZUZNXGBOXGH-STQMWFEESA-N -1 1 382.428 1.268 20 0 GDADMM CC(C)(C)C12CC(C(=O)N[C@@H]3CCN(c4nccnc4-c4nnn[n-]4)C3)(C1)C2 ZINC001573825202 949861995 /nfs/dbraw/zinc/86/19/95/949861995.db2.gz MUVGJYGPALDFJJ-PIHIASKNSA-N -1 1 382.472 1.568 20 0 GDADMM CC(C)(C)C12CC(C(=O)N[C@@H]3CCN(c4nccnc4-c4nn[n-]n4)C3)(C1)C2 ZINC001573825202 949862017 /nfs/dbraw/zinc/86/20/17/949862017.db2.gz MUVGJYGPALDFJJ-PIHIASKNSA-N -1 1 382.472 1.568 20 0 GDADMM CC(C)(C)C1CC(C(=O)NC[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001573825173 949862833 /nfs/dbraw/zinc/86/28/33/949862833.db2.gz LLCLPEROYTYMAL-WUPBRDTRSA-N -1 1 384.488 1.458 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001574484192 949867458 /nfs/dbraw/zinc/86/74/58/949867458.db2.gz FFLOFXNOGJPUDZ-UWVGGRQHSA-N -1 1 384.366 1.070 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccn(C)c2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576177968 949868542 /nfs/dbraw/zinc/86/85/42/949868542.db2.gz AFTZKDNZNZLBAH-IUODEOHRSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccn(C)c2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576177968 949868556 /nfs/dbraw/zinc/86/85/56/949868556.db2.gz AFTZKDNZNZLBAH-IUODEOHRSA-N -1 1 381.444 1.348 20 0 GDADMM CC1(C(=O)N[C@@H]2CC[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@@H]3C2)CCC1 ZINC001575565956 949887632 /nfs/dbraw/zinc/88/76/32/949887632.db2.gz ZDWLINRCKIDONO-MELADBBJSA-N -1 1 382.472 1.568 20 0 GDADMM CC1(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CCC(F)(F)CC1 ZINC001575568523 949891656 /nfs/dbraw/zinc/89/16/56/949891656.db2.gz AHYNBHLBJLPPRX-NSHDSACASA-N -1 1 392.414 1.567 20 0 GDADMM CC1(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CCC(F)(F)CC1 ZINC001575568523 949891669 /nfs/dbraw/zinc/89/16/69/949891669.db2.gz AHYNBHLBJLPPRX-NSHDSACASA-N -1 1 392.414 1.567 20 0 GDADMM CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001573826308 949906177 /nfs/dbraw/zinc/90/61/77/949906177.db2.gz GPHQONXDLYWKGO-STQMWFEESA-N -1 1 389.460 1.240 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001574485004 949913523 /nfs/dbraw/zinc/91/35/23/949913523.db2.gz UKMWQTSSMDYBQF-UWVGGRQHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001574485004 949913545 /nfs/dbraw/zinc/91/35/45/949913545.db2.gz UKMWQTSSMDYBQF-UWVGGRQHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001574485006 949913925 /nfs/dbraw/zinc/91/39/25/949913925.db2.gz UKMWQTSSMDYBQF-ZJUUUORDSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001574485006 949913943 /nfs/dbraw/zinc/91/39/43/949913943.db2.gz UKMWQTSSMDYBQF-ZJUUUORDSA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)(C)/C=C\C(=O)NCc1ccc(CNc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001573827117 949915038 /nfs/dbraw/zinc/91/50/38/949915038.db2.gz JTVKRPVZLNKICW-NTMALXAHSA-N -1 1 392.467 1.909 20 0 GDADMM C[C@@H]1CCN(C(=O)Cc2ccccc2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576180105 949938172 /nfs/dbraw/zinc/93/81/72/949938172.db2.gz CBOWZMOHXFHLEI-ZBFHGGJFSA-N -1 1 392.467 1.796 20 0 GDADMM C[C@@H]1CCN(C(=O)Cc2ccccc2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576180105 949938188 /nfs/dbraw/zinc/93/81/88/949938188.db2.gz CBOWZMOHXFHLEI-ZBFHGGJFSA-N -1 1 392.467 1.796 20 0 GDADMM CC1(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)CC2(C)C)CC=CC1 ZINC001575570628 949944898 /nfs/dbraw/zinc/94/48/98/949944898.db2.gz UEUUZXHLGYQCKX-AWEZNQCLSA-N -1 1 382.472 1.734 20 0 GDADMM CC1(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)CC2(C)C)CC=CC1 ZINC001575570628 949944916 /nfs/dbraw/zinc/94/49/16/949944916.db2.gz UEUUZXHLGYQCKX-AWEZNQCLSA-N -1 1 382.472 1.734 20 0 GDADMM C[C@H](NC(=O)CN(C)c1ccccc1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575285498 949946389 /nfs/dbraw/zinc/94/63/89/949946389.db2.gz NVWIKLCXAAGTHR-STQMWFEESA-N -1 1 381.444 1.098 20 0 GDADMM C[C@H](NC(=O)CN(C)c1ccccc1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575285498 949946412 /nfs/dbraw/zinc/94/64/12/949946412.db2.gz NVWIKLCXAAGTHR-STQMWFEESA-N -1 1 381.444 1.098 20 0 GDADMM CC(C)(C)CC(=O)N1CCC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CC[C@H]21 ZINC001573830003 949969932 /nfs/dbraw/zinc/96/99/32/949969932.db2.gz HECMKEQMQUSACS-UKRRQHHQSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)(C)CC(=O)N1CCC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CC[C@H]21 ZINC001573830003 949969958 /nfs/dbraw/zinc/96/99/58/949969958.db2.gz HECMKEQMQUSACS-UKRRQHHQSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](CC(=O)N[C@@]1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001574490165 949977720 /nfs/dbraw/zinc/97/77/20/949977720.db2.gz NVIIZRRLFZGLNJ-OTYXRUKQSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](CC(=O)N[C@@]1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001574490165 949977738 /nfs/dbraw/zinc/97/77/38/949977738.db2.gz NVIIZRRLFZGLNJ-OTYXRUKQSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)C(C)(C)C(=O)N1CC[C@H](C)[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576181245 949992556 /nfs/dbraw/zinc/99/25/56/949992556.db2.gz SGIZOQVVNFWQHM-UONOGXRCSA-N -1 1 386.504 1.657 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2ccc(Cl)o2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575891262 949994924 /nfs/dbraw/zinc/99/49/24/949994924.db2.gz HCFIYTBXYBCJRO-VHSXEESVSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2ccc(Cl)o2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575891262 949994954 /nfs/dbraw/zinc/99/49/54/949994954.db2.gz HCFIYTBXYBCJRO-VHSXEESVSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@H](CC(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@]2(C)C1)C1CC1 ZINC001574490472 949996452 /nfs/dbraw/zinc/99/64/52/949996452.db2.gz SIUQXBYXEWYDOO-TVZGQMOCSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H](CC(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@]2(C)C1)C1CC1 ZINC001574490472 949996470 /nfs/dbraw/zinc/99/64/70/949996470.db2.gz SIUQXBYXEWYDOO-TVZGQMOCSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H](NC(=O)Cc1ccccc1Cl)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575289820 950003660 /nfs/dbraw/zinc/00/36/60/950003660.db2.gz CDGFWYQRGWIYAM-QWRGUYRKSA-N -1 1 386.847 1.858 20 0 GDADMM C[C@H](NC(=O)Cc1ccccc1Cl)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575289820 950003689 /nfs/dbraw/zinc/00/36/89/950003689.db2.gz CDGFWYQRGWIYAM-QWRGUYRKSA-N -1 1 386.847 1.858 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ccc(F)cc1F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574729001 950014759 /nfs/dbraw/zinc/01/47/59/950014759.db2.gz MKFPGKWHPHKTEZ-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ccc(F)cc1F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574729001 950014783 /nfs/dbraw/zinc/01/47/83/950014783.db2.gz MKFPGKWHPHKTEZ-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](CC(=O)N[C@@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccccc1 ZINC001574491214 950029371 /nfs/dbraw/zinc/02/93/71/950029371.db2.gz BCUQYRXGGVTSOU-XOBRGWDASA-N -1 1 392.467 1.936 20 0 GDADMM C[C@@H](CC(=O)N[C@@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccccc1 ZINC001574491214 950029391 /nfs/dbraw/zinc/02/93/91/950029391.db2.gz BCUQYRXGGVTSOU-XOBRGWDASA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H](CC(=O)NC1CC(CNc2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001574491228 950030533 /nfs/dbraw/zinc/03/05/33/950030533.db2.gz BJCKJGIZEBTFFW-XNWIYYODSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](CC(=O)NC1CC(CNc2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001574491228 950030554 /nfs/dbraw/zinc/03/05/54/950030554.db2.gz BJCKJGIZEBTFFW-XNWIYYODSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ccc(F)s2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575892072 950046422 /nfs/dbraw/zinc/04/64/22/950046422.db2.gz REUPOLBNSVQZQY-ZJUUUORDSA-N -1 1 388.432 1.645 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ccc(F)s2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575892072 950046443 /nfs/dbraw/zinc/04/64/43/950046443.db2.gz REUPOLBNSVQZQY-ZJUUUORDSA-N -1 1 388.432 1.645 20 0 GDADMM C[C@@H](CN(C)C(=O)Cn1ccnc1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574731410 950048755 /nfs/dbraw/zinc/04/87/55/950048755.db2.gz DERMMIQMIZANHB-QMMMGPOBSA-N -1 1 381.853 1.132 20 0 GDADMM C[C@@H](CN(C)C(=O)Cn1ccnc1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574731410 950048777 /nfs/dbraw/zinc/04/87/77/950048777.db2.gz DERMMIQMIZANHB-QMMMGPOBSA-N -1 1 381.853 1.132 20 0 GDADMM CC(C)(C)CC(=O)N[C@@H]1CC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001573835392 950053298 /nfs/dbraw/zinc/05/32/98/950053298.db2.gz WQTPUUSCCCQZMH-BFHYXJOUSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1cc[nH]n1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574731549 950055976 /nfs/dbraw/zinc/05/59/76/950055976.db2.gz WYSNOOCCZIOTAA-ZETCQYMHSA-N -1 1 381.853 1.201 20 0 GDADMM C[C@H](CC(=O)N[C@@]1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574492005 950058213 /nfs/dbraw/zinc/05/82/13/950058213.db2.gz IEHCOBVRRGDMFP-XIKOKIGWSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H]1CCN(C(=O)C2CC3(CC3)C2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576182942 950071524 /nfs/dbraw/zinc/07/15/24/950071524.db2.gz OCJJZLKAAWBAJB-JSGCOSHPSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@H]1CCN(C(=O)C2CC3(CC3)C2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576182942 950071541 /nfs/dbraw/zinc/07/15/41/950071541.db2.gz OCJJZLKAAWBAJB-JSGCOSHPSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@@H](CC(=O)N[C@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001574492526 950090059 /nfs/dbraw/zinc/09/00/59/950090059.db2.gz NTXSSTOIYOMVHL-KPZWWZAWSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](CC(=O)N[C@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001574492526 950090084 /nfs/dbraw/zinc/09/00/84/950090084.db2.gz NTXSSTOIYOMVHL-KPZWWZAWSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cnco2)[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576183450 950092468 /nfs/dbraw/zinc/09/24/68/950092468.db2.gz SBBYJEINEBVICV-YPMHNXCESA-N -1 1 383.416 1.388 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cnco2)[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576183450 950092488 /nfs/dbraw/zinc/09/24/88/950092488.db2.gz SBBYJEINEBVICV-YPMHNXCESA-N -1 1 383.416 1.388 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cncs2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576183963 950110594 /nfs/dbraw/zinc/11/05/94/950110594.db2.gz ULYDDBCEVDGYET-GHMZBOCLSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cncs2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576183963 950110607 /nfs/dbraw/zinc/11/06/07/950110607.db2.gz ULYDDBCEVDGYET-GHMZBOCLSA-N -1 1 385.457 1.466 20 0 GDADMM CC1(C(=O)NC[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)CCCCC1 ZINC001575582485 950115561 /nfs/dbraw/zinc/11/55/61/950115561.db2.gz DIELIOUCWVXPKI-CQSZACIVSA-N -1 1 384.488 1.960 20 0 GDADMM CC1(C(=O)NC[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)CCCCC1 ZINC001575582485 950115573 /nfs/dbraw/zinc/11/55/73/950115573.db2.gz DIELIOUCWVXPKI-CQSZACIVSA-N -1 1 384.488 1.960 20 0 GDADMM CC(C)(C)CC(C)(C)C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573839729 950133705 /nfs/dbraw/zinc/13/37/05/950133705.db2.gz WHZCWTDEQXOIPL-LLVKDONJSA-N -1 1 376.465 1.008 20 0 GDADMM CC(C)(C)CC(C)(C)C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573839729 950133720 /nfs/dbraw/zinc/13/37/20/950133720.db2.gz WHZCWTDEQXOIPL-LLVKDONJSA-N -1 1 376.465 1.008 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1 ZINC001574493931 950145407 /nfs/dbraw/zinc/14/54/07/950145407.db2.gz VLQUGIVNMGUJJT-ZBFHGGJFSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1 ZINC001574493931 950145437 /nfs/dbraw/zinc/14/54/37/950145437.db2.gz VLQUGIVNMGUJJT-ZBFHGGJFSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1 ZINC001574493927 950146775 /nfs/dbraw/zinc/14/67/75/950146775.db2.gz VLQUGIVNMGUJJT-GOEBONIOSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1 ZINC001574493927 950146780 /nfs/dbraw/zinc/14/67/80/950146780.db2.gz VLQUGIVNMGUJJT-GOEBONIOSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cnco2)[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001576184997 950150820 /nfs/dbraw/zinc/15/08/20/950150820.db2.gz YFHZEASFLVTHFP-RYUDHWBXSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cnco2)[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001576184997 950150831 /nfs/dbraw/zinc/15/08/31/950150831.db2.gz YFHZEASFLVTHFP-RYUDHWBXSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@H]1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576190375 950159804 /nfs/dbraw/zinc/15/98/04/950159804.db2.gz AOEPOSDBBOCQJK-VQJWOFKYSA-N -1 1 382.472 1.599 20 0 GDADMM C[C@H]1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576190375 950159819 /nfs/dbraw/zinc/15/98/19/950159819.db2.gz AOEPOSDBBOCQJK-VQJWOFKYSA-N -1 1 382.472 1.599 20 0 GDADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C(C)(C)C1CCC1 ZINC001574154149 950165032 /nfs/dbraw/zinc/16/50/32/950165032.db2.gz CEOCBTZMHVVLSC-CQSZACIVSA-N -1 1 386.504 1.848 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccsn2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576190830 950173148 /nfs/dbraw/zinc/17/31/48/950173148.db2.gz CCOLCVMMXXHZEI-GHMZBOCLSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccsn2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576190830 950173160 /nfs/dbraw/zinc/17/31/60/950173160.db2.gz CCOLCVMMXXHZEI-GHMZBOCLSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H](CC(=O)NC[C@H](CO)Nc1cncc(-c2nnn[n-]2)n1)CC(C)(C)C ZINC001574494964 950190827 /nfs/dbraw/zinc/19/08/27/950190827.db2.gz QPUXPDRSKJJJFO-VXGBXAGGSA-N -1 1 376.465 1.008 20 0 GDADMM C[C@H](CC(=O)NC[C@H](CO)Nc1cncc(-c2nn[n-]n2)n1)CC(C)(C)C ZINC001574494964 950190842 /nfs/dbraw/zinc/19/08/42/950190842.db2.gz QPUXPDRSKJJJFO-VXGBXAGGSA-N -1 1 376.465 1.008 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccns2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576191466 950199841 /nfs/dbraw/zinc/19/98/41/950199841.db2.gz GOTSMTSTCUZQQD-WDEREUQCSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccns2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576191466 950199850 /nfs/dbraw/zinc/19/98/50/950199850.db2.gz GOTSMTSTCUZQQD-WDEREUQCSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCC1)c1ccco1 ZINC001574497703 950237163 /nfs/dbraw/zinc/23/71/63/950237163.db2.gz BGXOPBKFWISZSB-GFCCVEGCSA-N -1 1 382.428 1.894 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCC1)c1ccco1 ZINC001574497703 950237179 /nfs/dbraw/zinc/23/71/79/950237179.db2.gz BGXOPBKFWISZSB-GFCCVEGCSA-N -1 1 382.428 1.894 20 0 GDADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001574157483 950239234 /nfs/dbraw/zinc/23/92/34/950239234.db2.gz BZLXKJXPRYEYPO-BFHYXJOUSA-N -1 1 386.504 1.704 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCC1)[C@H]1CCCO1 ZINC001574497874 950246437 /nfs/dbraw/zinc/24/64/37/950246437.db2.gz FNLDLSCPOFJJEU-TZMCWYRMSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCC1)[C@H]1CCCO1 ZINC001574497874 950246458 /nfs/dbraw/zinc/24/64/58/950246458.db2.gz FNLDLSCPOFJJEU-TZMCWYRMSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCOCC1)C1CC1 ZINC001574497836 950247630 /nfs/dbraw/zinc/24/76/30/950247630.db2.gz DVCFWKKDJSBXHM-LBPRGKRZSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCOCC1)C1CC1 ZINC001574497836 950247651 /nfs/dbraw/zinc/24/76/51/950247651.db2.gz DVCFWKKDJSBXHM-LBPRGKRZSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccns2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576192572 950251046 /nfs/dbraw/zinc/25/10/46/950251046.db2.gz NRYBITCTGVHTNM-MNOVXSKESA-N -1 1 385.457 1.324 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccns2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576192572 950251064 /nfs/dbraw/zinc/25/10/64/950251064.db2.gz NRYBITCTGVHTNM-MNOVXSKESA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCC1)n1cccc1 ZINC001574498275 950271706 /nfs/dbraw/zinc/27/17/06/950271706.db2.gz LUJWNFWNQDPVIY-CYBMUJFWSA-N -1 1 381.444 1.560 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCC1)n1cccc1 ZINC001574498275 950271719 /nfs/dbraw/zinc/27/17/19/950271719.db2.gz LUJWNFWNQDPVIY-CYBMUJFWSA-N -1 1 381.444 1.560 20 0 GDADMM CC(C)(C)OC(=O)CC[C@@H]1C[C@@H](C(=O)Nc2n[nH]cc2-c2nnn[n-]2)CO1 ZINC001573850525 950276051 /nfs/dbraw/zinc/27/60/51/950276051.db2.gz KMGXQFQNOSPIAH-NXEZZACHSA-N -1 1 377.405 1.055 20 0 GDADMM CC(C)(C)OC(=O)CC[C@@H]1C[C@@H](C(=O)Nc2n[nH]cc2-c2nn[n-]n2)CO1 ZINC001573850525 950276069 /nfs/dbraw/zinc/27/60/69/950276069.db2.gz KMGXQFQNOSPIAH-NXEZZACHSA-N -1 1 377.405 1.055 20 0 GDADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)Cc1ccsc1 ZINC001574158327 950277724 /nfs/dbraw/zinc/27/77/24/950277724.db2.gz QWHVFUNNVPRCGE-CYBMUJFWSA-N -1 1 386.485 1.326 20 0 GDADMM CC1(C(=O)NCCC2(CNc3cnc(-c4nnn[n-]4)cn3)CC2)CC(F)(F)C1 ZINC001575592393 950286482 /nfs/dbraw/zinc/28/64/82/950286482.db2.gz AHSDTRFTLVAYPI-UHFFFAOYSA-N -1 1 392.414 1.791 20 0 GDADMM CC1(C(=O)NCCC2(CNc3cnc(-c4nn[n-]n4)cn3)CC2)CC(F)(F)C1 ZINC001575592393 950286504 /nfs/dbraw/zinc/28/65/04/950286504.db2.gz AHSDTRFTLVAYPI-UHFFFAOYSA-N -1 1 392.414 1.791 20 0 GDADMM CC1(C(=O)NCC[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CC(F)(F)C1 ZINC001575592315 950287836 /nfs/dbraw/zinc/28/78/36/950287836.db2.gz HORCGHFMVQZWKS-LLVKDONJSA-N -1 1 392.414 1.425 20 0 GDADMM CC1(C(=O)NCC[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CC(F)(F)C1 ZINC001575592315 950287855 /nfs/dbraw/zinc/28/78/55/950287855.db2.gz HORCGHFMVQZWKS-LLVKDONJSA-N -1 1 392.414 1.425 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCC1)[C@H]1CCCO1 ZINC001574498905 950291338 /nfs/dbraw/zinc/29/13/38/950291338.db2.gz RCJLRAPZZWCEDL-GXTWGEPZSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCC1)[C@H]1CCCO1 ZINC001574498905 950291366 /nfs/dbraw/zinc/29/13/66/950291366.db2.gz RCJLRAPZZWCEDL-GXTWGEPZSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cscn2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576193904 950316558 /nfs/dbraw/zinc/31/65/58/950316558.db2.gz VXCHGZIOJPQMGD-MNOVXSKESA-N -1 1 385.457 1.324 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cscn2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576193904 950316572 /nfs/dbraw/zinc/31/65/72/950316572.db2.gz VXCHGZIOJPQMGD-MNOVXSKESA-N -1 1 385.457 1.324 20 0 GDADMM CC1(C(=O)NC[C@H]2COCCN2Cc2ccc(-c3nn[n-]n3)s2)CCCC1 ZINC001575593967 950322873 /nfs/dbraw/zinc/32/28/73/950322873.db2.gz IMYPYCCEFSKNNQ-ZDUSSCGKSA-N -1 1 390.513 1.826 20 0 GDADMM CC(C)CC1(C(=O)N2C[C@@H](C)[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCC1 ZINC001574162455 950382251 /nfs/dbraw/zinc/38/22/51/950382251.db2.gz AUHSHWMIWNUTKB-KGLIPLIRSA-N -1 1 384.488 1.554 20 0 GDADMM CC(C)CC1(C(=O)N2CCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCC1 ZINC001574162579 950388340 /nfs/dbraw/zinc/38/83/40/950388340.db2.gz DOISBBZELOQDSM-CQSZACIVSA-N -1 1 384.488 1.698 20 0 GDADMM CC(C)(C)OC(=O)N1CCO[C@](C)(CNc2cc(-c3nnn[n-]3)ncn2)C1 ZINC001573856564 950390451 /nfs/dbraw/zinc/39/04/51/950390451.db2.gz DAQSJAQACUGGAY-MRXNPFEDSA-N -1 1 376.421 1.095 20 0 GDADMM CC(C)(C)OC(=O)N1CCO[C@](C)(CNc2cc(-c3nn[n-]n3)ncn2)C1 ZINC001573856564 950390471 /nfs/dbraw/zinc/39/04/71/950390471.db2.gz DAQSJAQACUGGAY-MRXNPFEDSA-N -1 1 376.421 1.095 20 0 GDADMM CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001574162664 950395284 /nfs/dbraw/zinc/39/52/84/950395284.db2.gz GROXVQGAENBVPD-AWEZNQCLSA-N -1 1 398.427 1.869 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001574503021 950395429 /nfs/dbraw/zinc/39/54/29/950395429.db2.gz SFELGRBJXUCPEM-KBPBESRZSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001574503021 950395451 /nfs/dbraw/zinc/39/54/51/950395451.db2.gz SFELGRBJXUCPEM-KBPBESRZSA-N -1 1 381.444 1.052 20 0 GDADMM CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001574162664 950395305 /nfs/dbraw/zinc/39/53/05/950395305.db2.gz GROXVQGAENBVPD-AWEZNQCLSA-N -1 1 398.427 1.869 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)n1cccc1 ZINC001574503078 950400081 /nfs/dbraw/zinc/40/00/81/950400081.db2.gz SZFDGHDIMGVLDF-KGLIPLIRSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)n1cccc1 ZINC001574503078 950400103 /nfs/dbraw/zinc/40/01/03/950400103.db2.gz SZFDGHDIMGVLDF-KGLIPLIRSA-N -1 1 381.444 1.195 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cccc(=O)[nH]1 ZINC001574162902 950409768 /nfs/dbraw/zinc/40/97/68/950409768.db2.gz MDONTRGVRXSZFP-LLVKDONJSA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cccc(=O)[nH]1 ZINC001574162902 950409783 /nfs/dbraw/zinc/40/97/83/950409783.db2.gz MDONTRGVRXSZFP-LLVKDONJSA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H](C)n1cccn1 ZINC001574163383 950420960 /nfs/dbraw/zinc/42/09/60/950420960.db2.gz SWWXTZXEOYDRPF-OLZOCXBDSA-N -1 1 384.448 1.057 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H](C)n1cccn1 ZINC001574163383 950420972 /nfs/dbraw/zinc/42/09/72/950420972.db2.gz SWWXTZXEOYDRPF-OLZOCXBDSA-N -1 1 384.448 1.057 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CCc1ccon1 ZINC001574163323 950422289 /nfs/dbraw/zinc/42/22/89/950422289.db2.gz RUNPZIAXQFJYON-CYBMUJFWSA-N -1 1 385.432 1.220 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CCc1ccon1 ZINC001574163323 950422302 /nfs/dbraw/zinc/42/23/02/950422302.db2.gz RUNPZIAXQFJYON-CYBMUJFWSA-N -1 1 385.432 1.220 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C1(C(F)F)CC1 ZINC001574163538 950425412 /nfs/dbraw/zinc/42/54/12/950425412.db2.gz VQXNZCMPAHDYKK-SNVBAGLBSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C1(C(F)F)CC1 ZINC001574163538 950425426 /nfs/dbraw/zinc/42/54/26/950425426.db2.gz VQXNZCMPAHDYKK-SNVBAGLBSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001573860915 950431408 /nfs/dbraw/zinc/43/14/08/950431408.db2.gz NIUOHTZEMQBTBU-ONGXEEELSA-N -1 1 378.458 1.705 20 0 GDADMM C[C@@]1(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CCc2ccccc21 ZINC001575605345 950460048 /nfs/dbraw/zinc/46/00/48/950460048.db2.gz HQZHRNBCOKGLHK-VBKZILBWSA-N -1 1 390.451 1.256 20 0 GDADMM C[C@@]1(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CCc2ccccc21 ZINC001575605345 950460077 /nfs/dbraw/zinc/46/00/77/950460077.db2.gz HQZHRNBCOKGLHK-VBKZILBWSA-N -1 1 390.451 1.256 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001573862469 950461780 /nfs/dbraw/zinc/46/17/80/950461780.db2.gz RPHMRPOMGBSXQF-WDEREUQCSA-N -1 1 376.417 1.883 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001573862469 950461794 /nfs/dbraw/zinc/46/17/94/950461794.db2.gz RPHMRPOMGBSXQF-WDEREUQCSA-N -1 1 376.417 1.883 20 0 GDADMM C[C@@H](CC(=O)NCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1)c1ccco1 ZINC001574509061 950496312 /nfs/dbraw/zinc/49/63/12/950496312.db2.gz ORUGPQMIICQUPH-LBPRGKRZSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](CC(=O)NCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1)c1ccco1 ZINC001574509061 950496331 /nfs/dbraw/zinc/49/63/31/950496331.db2.gz ORUGPQMIICQUPH-LBPRGKRZSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc(C2CC2)cn1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574752955 950502641 /nfs/dbraw/zinc/50/26/41/950502641.db2.gz GYEGUNHDNFCLEC-LLVKDONJSA-N -1 1 379.428 1.502 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc(C2CC2)cn1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574752955 950502656 /nfs/dbraw/zinc/50/26/56/950502656.db2.gz GYEGUNHDNFCLEC-LLVKDONJSA-N -1 1 379.428 1.502 20 0 GDADMM CC1(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CCC(F)(F)CC1 ZINC001575608028 950508915 /nfs/dbraw/zinc/50/89/15/950508915.db2.gz LWVVZZFSAZNJOL-XYPYZODXSA-N -1 1 392.414 1.931 20 0 GDADMM CC1(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CCC(F)(F)CC1 ZINC001575608028 950508936 /nfs/dbraw/zinc/50/89/36/950508936.db2.gz LWVVZZFSAZNJOL-XYPYZODXSA-N -1 1 392.414 1.931 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001574509574 950513982 /nfs/dbraw/zinc/51/39/82/950513982.db2.gz XHZYOWOLOCXDPE-MGPQQGTHSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001574509574 950514005 /nfs/dbraw/zinc/51/40/05/950514005.db2.gz XHZYOWOLOCXDPE-MGPQQGTHSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](CC(=O)N[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1)c1ccc(F)cc1 ZINC001574509543 950517205 /nfs/dbraw/zinc/51/72/05/950517205.db2.gz WYRFUJFZIMHOLT-NEPJUHHUSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H](CC(=O)N[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1)c1ccc(F)cc1 ZINC001574509543 950517223 /nfs/dbraw/zinc/51/72/23/950517223.db2.gz WYRFUJFZIMHOLT-NEPJUHHUSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCCn1cccc1 ZINC001575915745 950518109 /nfs/dbraw/zinc/51/81/09/950518109.db2.gz OBKPCDGOJALPEF-UONOGXRCSA-N -1 1 381.444 1.340 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCCn1cccc1 ZINC001575915745 950518124 /nfs/dbraw/zinc/51/81/24/950518124.db2.gz OBKPCDGOJALPEF-UONOGXRCSA-N -1 1 381.444 1.340 20 0 GDADMM CC(C)CCC(=O)N1CC[C@]2(C1)CCCN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001574169686 950526921 /nfs/dbraw/zinc/52/69/21/950526921.db2.gz CCIHLOZDKSLOTD-LJQANCHMSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)CCC(=O)N1CC[C@]2(C1)CCCN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001574169686 950526938 /nfs/dbraw/zinc/52/69/38/950526938.db2.gz CCIHLOZDKSLOTD-LJQANCHMSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)CCC(=O)N1CC[C@]2(C1)CCCN(c1nccnc1-c1nnn[n-]1)C2 ZINC001574170336 950536937 /nfs/dbraw/zinc/53/69/37/950536937.db2.gz GKGBGGFTJSTXSF-IBGZPJMESA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)CCC(=O)N1CC[C@]2(C1)CCCN(c1nccnc1-c1nn[n-]n1)C2 ZINC001574170336 950536947 /nfs/dbraw/zinc/53/69/47/950536947.db2.gz GKGBGGFTJSTXSF-IBGZPJMESA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C12CCC2 ZINC001573868534 950542981 /nfs/dbraw/zinc/54/29/81/950542981.db2.gz DHULWIWUCQXUOK-NWDGAFQWSA-N -1 1 386.460 1.311 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C12CCC2 ZINC001573868534 950542992 /nfs/dbraw/zinc/54/29/92/950542992.db2.gz DHULWIWUCQXUOK-NWDGAFQWSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cc(C2CC2)on1 ZINC001575916574 950543765 /nfs/dbraw/zinc/54/37/65/950543765.db2.gz QODDOWRWCBAJEM-KOLCDFICSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cc(C2CC2)on1 ZINC001575916574 950543786 /nfs/dbraw/zinc/54/37/86/950543786.db2.gz QODDOWRWCBAJEM-KOLCDFICSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc(C2CC2)cn1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574753859 950544975 /nfs/dbraw/zinc/54/49/75/950544975.db2.gz UJFWWUWIHVEAEI-NSHDSACASA-N -1 1 379.428 1.502 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc(C2CC2)cn1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574753859 950544992 /nfs/dbraw/zinc/54/49/92/950544992.db2.gz UJFWWUWIHVEAEI-NSHDSACASA-N -1 1 379.428 1.502 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cc(Cl)cn1C ZINC001575917008 950552917 /nfs/dbraw/zinc/55/29/17/950552917.db2.gz ULHJLCRYFJGLGL-GXSJLCMTSA-N -1 1 387.835 1.364 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cc(Cl)cn1C ZINC001575917008 950552933 /nfs/dbraw/zinc/55/29/33/950552933.db2.gz ULHJLCRYFJGLGL-GXSJLCMTSA-N -1 1 387.835 1.364 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001573869255 950561549 /nfs/dbraw/zinc/56/15/49/950561549.db2.gz NDBKMQJNTDHXIA-STQMWFEESA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001573869255 950561562 /nfs/dbraw/zinc/56/15/62/950561562.db2.gz NDBKMQJNTDHXIA-STQMWFEESA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCCC(F)(F)F ZINC001575917347 950566071 /nfs/dbraw/zinc/56/60/71/950566071.db2.gz WQSZCXLHBXACBO-VHSXEESVSA-N -1 1 384.366 1.791 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCCC(F)(F)F ZINC001575917347 950566087 /nfs/dbraw/zinc/56/60/87/950566087.db2.gz WQSZCXLHBXACBO-VHSXEESVSA-N -1 1 384.366 1.791 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)ccc1F)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574999046 950569052 /nfs/dbraw/zinc/56/90/52/950569052.db2.gz DXFJDMCXIPJNKD-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1cc(C(F)F)ccc1F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574999289 950579208 /nfs/dbraw/zinc/57/92/08/950579208.db2.gz ITJDTOYYYQHREV-MRVPVSSYSA-N -1 1 392.345 1.964 20 0 GDADMM C[C@H](CNC(=O)c1cc(C(F)F)ccc1F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574999289 950579223 /nfs/dbraw/zinc/57/92/23/950579223.db2.gz ITJDTOYYYQHREV-MRVPVSSYSA-N -1 1 392.345 1.964 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C(C)(C)C ZINC001573869985 950582488 /nfs/dbraw/zinc/58/24/88/950582488.db2.gz TVFKNXUOSOTBFC-NSHDSACASA-N -1 1 376.465 1.415 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C(C)(C)C ZINC001573869985 950582506 /nfs/dbraw/zinc/58/25/06/950582506.db2.gz TVFKNXUOSOTBFC-NSHDSACASA-N -1 1 376.465 1.415 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575616920 950590955 /nfs/dbraw/zinc/59/09/55/950590955.db2.gz UUZLOCSJQUKVLR-LBPRGKRZSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575616920 950590963 /nfs/dbraw/zinc/59/09/63/950590963.db2.gz UUZLOCSJQUKVLR-LBPRGKRZSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575616924 950595757 /nfs/dbraw/zinc/59/57/57/950595757.db2.gz UXFNLQWNUFHTIQ-LBPRGKRZSA-N -1 1 384.488 1.672 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575616924 950595786 /nfs/dbraw/zinc/59/57/86/950595786.db2.gz UXFNLQWNUFHTIQ-LBPRGKRZSA-N -1 1 384.488 1.672 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575616923 950595829 /nfs/dbraw/zinc/59/58/29/950595829.db2.gz UXFNLQWNUFHTIQ-GFCCVEGCSA-N -1 1 384.488 1.672 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575616923 950595849 /nfs/dbraw/zinc/59/58/49/950595849.db2.gz UXFNLQWNUFHTIQ-GFCCVEGCSA-N -1 1 384.488 1.672 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001575617300 950600599 /nfs/dbraw/zinc/60/05/99/950600599.db2.gz ZXSGDZJKEBNQEM-UHFFFAOYSA-N -1 1 384.488 1.768 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001575617300 950600611 /nfs/dbraw/zinc/60/06/11/950600611.db2.gz ZXSGDZJKEBNQEM-UHFFFAOYSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)CCC(=O)N1CCC[C@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001574173902 950606431 /nfs/dbraw/zinc/60/64/31/950606431.db2.gz OSMXRKBTZQYWCA-LJQANCHMSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccn(C(C)(C)C)n1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574758313 950606896 /nfs/dbraw/zinc/60/68/96/950606896.db2.gz AQOSRFIQLNKDGY-LLVKDONJSA-N -1 1 384.448 1.181 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccn(C(C)(C)C)n1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574758313 950606907 /nfs/dbraw/zinc/60/69/07/950606907.db2.gz AQOSRFIQLNKDGY-LLVKDONJSA-N -1 1 384.448 1.181 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cccnc1C1CC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574758761 950619626 /nfs/dbraw/zinc/61/96/26/950619626.db2.gz GKSHQRSUQQHYLO-NSHDSACASA-N -1 1 379.428 1.502 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cccnc1C1CC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574758761 950619639 /nfs/dbraw/zinc/61/96/39/950619639.db2.gz GKSHQRSUQQHYLO-NSHDSACASA-N -1 1 379.428 1.502 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1)[C@H]1CCCO1 ZINC001574515275 950629719 /nfs/dbraw/zinc/62/97/19/950629719.db2.gz CGDRDTLEDTTXKV-XDQVBPFNSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1)[C@H]1CCCO1 ZINC001574515275 950629729 /nfs/dbraw/zinc/62/97/29/950629729.db2.gz CGDRDTLEDTTXKV-XDQVBPFNSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C)n1cccc1 ZINC001574516242 950632211 /nfs/dbraw/zinc/63/22/11/950632211.db2.gz GQZWELDMRCKWQE-MJBXVCDLSA-N -1 1 381.444 1.193 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C)n1cccc1 ZINC001574516242 950632218 /nfs/dbraw/zinc/63/22/18/950632218.db2.gz GQZWELDMRCKWQE-MJBXVCDLSA-N -1 1 381.444 1.193 20 0 GDADMM CC1(C)[C@H](NC(=O)CCCF)[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)[C@H]21 ZINC001575622323 950639027 /nfs/dbraw/zinc/63/90/27/950639027.db2.gz CKYXJUQHGRRPPW-HFBAOOFYSA-N -1 1 388.451 1.516 20 0 GDADMM CC1(C)[C@H](NC(=O)CCCF)[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)[C@H]21 ZINC001575622323 950639046 /nfs/dbraw/zinc/63/90/46/950639046.db2.gz CKYXJUQHGRRPPW-HFBAOOFYSA-N -1 1 388.451 1.516 20 0 GDADMM CC1(C)C2CCC1(C(=O)N1CCN(c3ccc(-c4nnn[n-]4)nn3)CC1)CC2 ZINC001575622585 950640328 /nfs/dbraw/zinc/64/03/28/950640328.db2.gz DGBSSFXEHMDJCI-UHFFFAOYSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)C2CCC1(C(=O)N1CCN(c3ccc(-c4nn[n-]n4)nn3)CC1)CC2 ZINC001575622585 950640337 /nfs/dbraw/zinc/64/03/37/950640337.db2.gz DGBSSFXEHMDJCI-UHFFFAOYSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)ccc1Cl)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575001955 950651152 /nfs/dbraw/zinc/65/11/52/950651152.db2.gz QHIATQMVGDZMKY-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)ccc1Cl)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575001955 950651161 /nfs/dbraw/zinc/65/11/61/950651161.db2.gz QHIATQMVGDZMKY-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)c(Cl)[nH]1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575002163 950655124 /nfs/dbraw/zinc/65/51/24/950655124.db2.gz ZVSIEZMRPFFBAC-LURJTMIESA-N -1 1 382.215 1.522 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)c(Cl)[nH]1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575002163 950655142 /nfs/dbraw/zinc/65/51/42/950655142.db2.gz ZVSIEZMRPFFBAC-LURJTMIESA-N -1 1 382.215 1.522 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cccn1C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574760023 950655709 /nfs/dbraw/zinc/65/57/09/950655709.db2.gz SKVSCADHBSYQBW-QMMMGPOBSA-N -1 1 380.865 1.888 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cccn1C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574760023 950655720 /nfs/dbraw/zinc/65/57/20/950655720.db2.gz SKVSCADHBSYQBW-QMMMGPOBSA-N -1 1 380.865 1.888 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)c[nH]1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575002323 950658274 /nfs/dbraw/zinc/65/82/74/950658274.db2.gz SCCZIQKFLFZHJU-ZCFIWIBFSA-N -1 1 384.828 1.699 20 0 GDADMM CC(C)CCC(=O)N[C@@H]1CC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@@H]2C1 ZINC001574175517 950661253 /nfs/dbraw/zinc/66/12/53/950661253.db2.gz QHOLLZGYOITRQI-SOUVJXGZSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)CCC(=O)N[C@@H]1CC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@@H]2C1 ZINC001574175517 950661280 /nfs/dbraw/zinc/66/12/80/950661280.db2.gz QHOLLZGYOITRQI-SOUVJXGZSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574760582 950668115 /nfs/dbraw/zinc/66/81/15/950668115.db2.gz JLGQOZLLXAOCPX-NSHDSACASA-N -1 1 384.448 1.086 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574760582 950668144 /nfs/dbraw/zinc/66/81/44/950668144.db2.gz JLGQOZLLXAOCPX-NSHDSACASA-N -1 1 384.448 1.086 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1coc2ccccc12 ZINC001575924337 950670890 /nfs/dbraw/zinc/67/08/90/950670890.db2.gz SBTRODPOKPDXNS-RISCZKNCSA-N -1 1 390.407 1.540 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)c[nH]1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575003164 950673835 /nfs/dbraw/zinc/67/38/35/950673835.db2.gz YLPKFBNNQPMGKW-LURJTMIESA-N -1 1 384.828 1.922 20 0 GDADMM C[C@H](CN(C)C(=O)c1cccnc1C1CC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574760609 950674041 /nfs/dbraw/zinc/67/40/41/950674041.db2.gz XKCPIIPZFKXXHI-LLVKDONJSA-N -1 1 379.428 1.502 20 0 GDADMM C[C@H](CN(C)C(=O)c1cccnc1C1CC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574760609 950674053 /nfs/dbraw/zinc/67/40/53/950674053.db2.gz XKCPIIPZFKXXHI-LLVKDONJSA-N -1 1 379.428 1.502 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C(C)(F)F)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576214759 950683133 /nfs/dbraw/zinc/68/31/33/950683133.db2.gz CALXQJFKYZZMLH-ZJUUUORDSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C(C)(F)F)C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576214759 950683141 /nfs/dbraw/zinc/68/31/41/950683141.db2.gz CALXQJFKYZZMLH-ZJUUUORDSA-N -1 1 380.403 1.597 20 0 GDADMM CC1(C)C2CCC1(C(=O)N[C@H]1C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C1)CC2 ZINC001575625634 950690622 /nfs/dbraw/zinc/69/06/22/950690622.db2.gz SWFQZFTXFPHVGM-SNEKITDRSA-N -1 1 382.472 1.932 20 0 GDADMM CC1(C)C2CCC1(C(=O)N[C@H]1C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C1)CC2 ZINC001575625634 950690633 /nfs/dbraw/zinc/69/06/33/950690633.db2.gz SWFQZFTXFPHVGM-SNEKITDRSA-N -1 1 382.472 1.932 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccncn1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574761108 950691149 /nfs/dbraw/zinc/69/11/49/950691149.db2.gz QONIGVMNGLNATD-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccncn1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574761108 950691165 /nfs/dbraw/zinc/69/11/65/950691165.db2.gz QONIGVMNGLNATD-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM CC(C)CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001574179175 950701700 /nfs/dbraw/zinc/70/17/00/950701700.db2.gz DSUVLQPZGXXXFC-QDMKHBRRSA-N -1 1 384.488 1.957 20 0 GDADMM CC(C)CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001574179175 950701721 /nfs/dbraw/zinc/70/17/21/950701721.db2.gz DSUVLQPZGXXXFC-QDMKHBRRSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCCC(F)(F)F ZINC001575926465 950711310 /nfs/dbraw/zinc/71/13/10/950711310.db2.gz KHDPCZCYXCMHLW-NXEZZACHSA-N -1 1 384.366 1.791 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCCC(F)(F)F ZINC001575926465 950711323 /nfs/dbraw/zinc/71/13/23/950711323.db2.gz KHDPCZCYXCMHLW-NXEZZACHSA-N -1 1 384.366 1.791 20 0 GDADMM CC1(C)CC(C(=O)N[C@@H]2CC23CCN(c2nccnc2-c2nnn[n-]2)CC3)C1 ZINC001575629054 950730051 /nfs/dbraw/zinc/73/00/51/950730051.db2.gz JMIOVRZNNCVTJI-CYBMUJFWSA-N -1 1 382.472 1.568 20 0 GDADMM CC1(C)CC(C(=O)N[C@@H]2CC23CCN(c2nccnc2-c2nn[n-]n2)CC3)C1 ZINC001575629054 950730061 /nfs/dbraw/zinc/73/00/61/950730061.db2.gz JMIOVRZNNCVTJI-CYBMUJFWSA-N -1 1 382.472 1.568 20 0 GDADMM CC(C)(C)c1cccc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001573881260 950749712 /nfs/dbraw/zinc/74/97/12/950749712.db2.gz BPXFAQNEUDPMCY-OAHLLOKOSA-N -1 1 392.467 1.703 20 0 GDADMM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC001602852749 971692096 /nfs/dbraw/zinc/69/20/96/971692096.db2.gz GCOHZLVZOWOGLL-ZDUSSCGKSA-N -1 1 392.437 1.963 20 0 GDADMM C[C@@H]1[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCN1C(=O)c1ccnnc1 ZINC001575931123 950799635 /nfs/dbraw/zinc/79/96/35/950799635.db2.gz GWTQSBMPNVSPOQ-VXNVDRBHSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ncoc1C(C)(C)C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574765926 950802012 /nfs/dbraw/zinc/80/20/12/950802012.db2.gz GGRXFMXUPRRALI-JTQLQIEISA-N -1 1 385.432 1.515 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ncoc1C(C)(C)C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574765926 950802035 /nfs/dbraw/zinc/80/20/35/950802035.db2.gz GGRXFMXUPRRALI-JTQLQIEISA-N -1 1 385.432 1.515 20 0 GDADMM CC1(C)CC(CC(=O)NC[C@@H]2CCCCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001575632812 950804840 /nfs/dbraw/zinc/80/48/40/950804840.db2.gz NKTJZGRORHJUBA-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CC(CC(=O)NC[C@@H]2CCCCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001575632812 950804859 /nfs/dbraw/zinc/80/48/59/950804859.db2.gz NKTJZGRORHJUBA-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCc1ccccc1 ZINC001575931625 950813854 /nfs/dbraw/zinc/81/38/54/950813854.db2.gz JBGZUYSCRKGBAE-ZFWWWQNUSA-N -1 1 378.440 1.691 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1ccccc1 ZINC001575931625 950813874 /nfs/dbraw/zinc/81/38/74/950813874.db2.gz JBGZUYSCRKGBAE-ZFWWWQNUSA-N -1 1 378.440 1.691 20 0 GDADMM CC1(C)CC(CC(=O)N2CCO[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001575633693 950814766 /nfs/dbraw/zinc/81/47/66/950814766.db2.gz UCDJUDMUBLZSJD-CYBMUJFWSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CC(CC(=O)N2CCO[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001575633693 950814796 /nfs/dbraw/zinc/81/47/96/950814796.db2.gz UCDJUDMUBLZSJD-CYBMUJFWSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](CN(C)C(=O)c1coc(C(F)F)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574766893 950830953 /nfs/dbraw/zinc/83/09/53/950830953.db2.gz NYSFNRYCPLBQEM-QMMMGPOBSA-N -1 1 378.343 1.182 20 0 GDADMM C[C@H](CN(C)C(=O)c1ncsc1C1CC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574767078 950835768 /nfs/dbraw/zinc/83/57/68/950835768.db2.gz LLVUEMHSWZANRN-SECBINFHSA-N -1 1 385.457 1.563 20 0 GDADMM C[C@H](CN(C)C(=O)c1ncsc1C1CC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574767078 950835799 /nfs/dbraw/zinc/83/57/99/950835799.db2.gz LLVUEMHSWZANRN-SECBINFHSA-N -1 1 385.457 1.563 20 0 GDADMM CC(C)CCCC(=O)N1C[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001574189035 950860063 /nfs/dbraw/zinc/86/00/63/950860063.db2.gz ALKXVNLXMKDRRU-CABCVRRESA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)CCCC(=O)N1C[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001574189035 950860086 /nfs/dbraw/zinc/86/00/86/950860086.db2.gz ALKXVNLXMKDRRU-CABCVRRESA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)CCCC(=O)NC[C@@H](CO)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574189173 950864315 /nfs/dbraw/zinc/86/43/15/950864315.db2.gz DIIABBCSDWHRCT-VIFPVBQESA-N -1 1 387.897 1.692 20 0 GDADMM CC(C)CCCC(=O)NC[C@@H](CO)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574189173 950864325 /nfs/dbraw/zinc/86/43/25/950864325.db2.gz DIIABBCSDWHRCT-VIFPVBQESA-N -1 1 387.897 1.692 20 0 GDADMM C[C@@H](CN(C)C(=O)c1csnn1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574767663 950866416 /nfs/dbraw/zinc/86/64/16/950866416.db2.gz UKGCDJLSSWTSHA-YFKPBYRVSA-N -1 1 385.866 1.401 20 0 GDADMM CC(C)c1ncsc1C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574768002 950880030 /nfs/dbraw/zinc/88/00/30/950880030.db2.gz SMCVUYAPYPPLTA-JTQLQIEISA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)c1ncsc1C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574768002 950880049 /nfs/dbraw/zinc/88/00/49/950880049.db2.gz SMCVUYAPYPPLTA-JTQLQIEISA-N -1 1 387.473 1.809 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cccc2cc[nH]c21 ZINC001575935707 950888464 /nfs/dbraw/zinc/88/84/64/950888464.db2.gz AMIULGCHQDGZIY-RISCZKNCSA-N -1 1 389.423 1.853 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cccc2cc[nH]c21 ZINC001575935707 950888474 /nfs/dbraw/zinc/88/84/74/950888474.db2.gz AMIULGCHQDGZIY-RISCZKNCSA-N -1 1 389.423 1.853 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1coc(C(F)F)c1 ZINC001575935845 950899674 /nfs/dbraw/zinc/89/96/74/950899674.db2.gz ZUKOTFQQAFQQCX-PSASIEDQSA-N -1 1 390.354 1.902 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1coc(C(F)F)c1 ZINC001575935845 950899690 /nfs/dbraw/zinc/89/96/90/950899690.db2.gz ZUKOTFQQAFQQCX-PSASIEDQSA-N -1 1 390.354 1.902 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)CC(F)(F)C2)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576227543 950915262 /nfs/dbraw/zinc/91/52/62/950915262.db2.gz DQYMWGNXPFISIR-MNOVXSKESA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)CC(F)(F)C2)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576227543 950915282 /nfs/dbraw/zinc/91/52/82/950915282.db2.gz DQYMWGNXPFISIR-MNOVXSKESA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc2c(c1)CCO2 ZINC001575936782 950927112 /nfs/dbraw/zinc/92/71/12/950927112.db2.gz IGBVCCJLBLBJFD-BXUZGUMPSA-N -1 1 392.423 1.307 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc2c(c1)CCO2 ZINC001575936782 950927124 /nfs/dbraw/zinc/92/71/24/950927124.db2.gz IGBVCCJLBLBJFD-BXUZGUMPSA-N -1 1 392.423 1.307 20 0 GDADMM C[C@H]1CC(=O)CC[C@H]1C(=O)Nc1c(-c2nn[n-]n2)nnn1Cc1ccccc1 ZINC001575936906 950932837 /nfs/dbraw/zinc/93/28/37/950932837.db2.gz AOOFAPKXFMQVSR-SMDDNHRTSA-N -1 1 380.412 1.450 20 0 GDADMM C[C@@H]1CN(C(=O)CC(C)(C)C2CC2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576228126 950933924 /nfs/dbraw/zinc/93/39/24/950933924.db2.gz JDARDIHKXQISBY-CHWSQXEVSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H]1CN(C(=O)CC(C)(C)C2CC2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576228126 950933939 /nfs/dbraw/zinc/93/39/39/950933939.db2.gz JDARDIHKXQISBY-CHWSQXEVSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)(CC(=O)NCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C1CC1 ZINC001573896640 950946065 /nfs/dbraw/zinc/94/60/65/950946065.db2.gz JCTBPKLBATZCRR-UHFFFAOYSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(CC(=O)NCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C1CC1 ZINC001573896640 950946084 /nfs/dbraw/zinc/94/60/84/950946084.db2.gz JCTBPKLBATZCRR-UHFFFAOYSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C)C[C@@H](NC(=O)CC2CCC2)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575642545 950948063 /nfs/dbraw/zinc/94/80/63/950948063.db2.gz VTNSOFWMRPWEEH-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)C[C@@H](NC(=O)CC2CCC2)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575642545 950948080 /nfs/dbraw/zinc/94/80/80/950948080.db2.gz VTNSOFWMRPWEEH-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CN(C(=O)C2(CF)CCC2)CC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576229085 950957653 /nfs/dbraw/zinc/95/76/53/950957653.db2.gz ITXVNURCDKGLRE-OLZOCXBDSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@@H]1CN(C(=O)C2(CF)CCC2)CC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576229085 950957671 /nfs/dbraw/zinc/95/76/71/950957671.db2.gz ITXVNURCDKGLRE-OLZOCXBDSA-N -1 1 388.451 1.693 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N1CCC[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001575643063 950957568 /nfs/dbraw/zinc/95/75/68/950957568.db2.gz KCNFELQYKVNJRM-BFUOFWGJSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N1CCC[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001575643063 950957586 /nfs/dbraw/zinc/95/75/86/950957586.db2.gz KCNFELQYKVNJRM-BFUOFWGJSA-N -1 1 382.472 1.522 20 0 GDADMM CC(C)(CC(=O)N1CC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)C1CC1 ZINC001573898327 950976032 /nfs/dbraw/zinc/97/60/32/950976032.db2.gz ZFPQGXMOEHBODV-SWLSCSKDSA-N -1 1 382.472 1.520 20 0 GDADMM CC(C)(CC(=O)N1CC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)C1CC1 ZINC001573898327 950976056 /nfs/dbraw/zinc/97/60/56/950976056.db2.gz ZFPQGXMOEHBODV-SWLSCSKDSA-N -1 1 382.472 1.520 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(=O)[nH]c1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001575017513 950998549 /nfs/dbraw/zinc/99/85/49/950998549.db2.gz HBCBCYJQGRSKKA-LURJTMIESA-N -1 1 380.821 1.308 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(=O)[nH]c1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575017513 950998555 /nfs/dbraw/zinc/99/85/55/950998555.db2.gz HBCBCYJQGRSKKA-LURJTMIESA-N -1 1 380.821 1.308 20 0 GDADMM CC(C)(CC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001573900386 951003230 /nfs/dbraw/zinc/00/32/30/951003230.db2.gz ZJRDULCCDKCCPU-GASCZTMLSA-N -1 1 392.467 1.506 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(C)(F)F)cc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575019872 951047233 /nfs/dbraw/zinc/04/72/33/951047233.db2.gz WPODLKYKRBTRGL-SNVBAGLBSA-N -1 1 388.382 1.999 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(C)(F)F)cc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575019872 951047247 /nfs/dbraw/zinc/04/72/47/951047247.db2.gz WPODLKYKRBTRGL-SNVBAGLBSA-N -1 1 388.382 1.999 20 0 GDADMM CCOC(=O)c1n[nH]c([C@H](CC(C)C)NC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)n1 ZINC001591278935 951108472 /nfs/dbraw/zinc/10/84/72/951108472.db2.gz BCLSRTLLWTUQMC-XQQFMLRXSA-N -1 1 396.444 1.455 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)cc1Cl)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575024581 951110576 /nfs/dbraw/zinc/11/05/76/951110576.db2.gz IDRRCOLPPYMCID-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCC=C2)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575025186 951128794 /nfs/dbraw/zinc/12/87/94/951128794.db2.gz WYPLTSXCHHDOEB-ZDUSSCGKSA-N -1 1 390.451 1.871 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCC=C2)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575025186 951128801 /nfs/dbraw/zinc/12/88/01/951128801.db2.gz WYPLTSXCHHDOEB-ZDUSSCGKSA-N -1 1 390.451 1.871 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(C(F)(F)F)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575025849 951135995 /nfs/dbraw/zinc/13/59/95/951135995.db2.gz CDCWVHNDZZWRKS-VIFPVBQESA-N -1 1 392.345 1.906 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(C(F)(F)F)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575025849 951136003 /nfs/dbraw/zinc/13/60/03/951136003.db2.gz CDCWVHNDZZWRKS-VIFPVBQESA-N -1 1 392.345 1.906 20 0 GDADMM CCOC(=O)c1sc(NC(=O)CN(C)[C@@H]2CCC[C@H]2O)c(C(=O)[O-])c1C ZINC001591426385 951138050 /nfs/dbraw/zinc/13/80/50/951138050.db2.gz PSSWNOQOXMZTNL-GHMZBOCLSA-N -1 1 384.454 1.715 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2c1CCC2)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575026953 951150873 /nfs/dbraw/zinc/15/08/73/951150873.db2.gz BJBHUNBWSDSUGQ-GFCCVEGCSA-N -1 1 378.440 1.623 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2c1CCC2)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575026953 951150878 /nfs/dbraw/zinc/15/08/78/951150878.db2.gz BJBHUNBWSDSUGQ-GFCCVEGCSA-N -1 1 378.440 1.623 20 0 GDADMM CC(C)Oc1ccccc1C(=O)NC[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575027378 951155266 /nfs/dbraw/zinc/15/52/66/951155266.db2.gz FULWVTIUGDBLGD-GFCCVEGCSA-N -1 1 382.428 1.096 20 0 GDADMM C[C@H](CNC(=O)c1ccccc1-c1cn[nH]c1)Nc1nccnc1-c1nnn[n-]1 ZINC001575027956 951164575 /nfs/dbraw/zinc/16/45/75/951164575.db2.gz JWJKSENQFAKQCJ-LLVKDONJSA-N -1 1 390.411 1.277 20 0 GDADMM C[C@H](CNC(=O)c1ccccc1-c1cn[nH]c1)Nc1nccnc1-c1nn[n-]n1 ZINC001575027956 951164584 /nfs/dbraw/zinc/16/45/84/951164584.db2.gz JWJKSENQFAKQCJ-LLVKDONJSA-N -1 1 390.411 1.277 20 0 GDADMM C[C@H](CNC(=O)c1cccc2c1CCC2)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575028595 951177540 /nfs/dbraw/zinc/17/75/40/951177540.db2.gz OOBYHROQKVQXBY-GFCCVEGCSA-N -1 1 378.440 1.400 20 0 GDADMM C[C@H](CNC(=O)c1cccc2c1CCC2)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575028595 951177546 /nfs/dbraw/zinc/17/75/46/951177546.db2.gz OOBYHROQKVQXBY-GFCCVEGCSA-N -1 1 378.440 1.400 20 0 GDADMM C[C@@H](CNC(=O)c1ccccc1C(F)(F)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575029047 951181161 /nfs/dbraw/zinc/18/11/61/951181161.db2.gz RLVWMNIBQJOWSS-VIFPVBQESA-N -1 1 392.345 1.906 20 0 GDADMM C[C@@H](CNC(=O)c1ccccc1C(F)(F)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575029047 951181166 /nfs/dbraw/zinc/18/11/66/951181166.db2.gz RLVWMNIBQJOWSS-VIFPVBQESA-N -1 1 392.345 1.906 20 0 GDADMM C[C@H](CNC(=O)c1cccnc1C1CC1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575031666 951202448 /nfs/dbraw/zinc/20/24/48/951202448.db2.gz GKNPAPOKRATLOZ-LLVKDONJSA-N -1 1 379.428 1.184 20 0 GDADMM C[C@H](CNC(=O)c1cccnc1C1CC1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575031666 951202457 /nfs/dbraw/zinc/20/24/57/951202457.db2.gz GKNPAPOKRATLOZ-LLVKDONJSA-N -1 1 379.428 1.184 20 0 GDADMM C[C@@H](CNC(=O)c1cncs1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575054575 951493080 /nfs/dbraw/zinc/49/30/80/951493080.db2.gz YLULPTIARMFFCX-LURJTMIESA-N -1 1 384.878 1.688 20 0 GDADMM C[C@@H](CNC(=O)c1cnoc1-c1ccco1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575055248 951501325 /nfs/dbraw/zinc/50/13/25/951501325.db2.gz OTXHCKPTUHKLBP-VIFPVBQESA-N -1 1 381.356 1.135 20 0 GDADMM C[C@@H](CNC(=O)c1cnoc1-c1ccco1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575055248 951501333 /nfs/dbraw/zinc/50/13/33/951501333.db2.gz OTXHCKPTUHKLBP-VIFPVBQESA-N -1 1 381.356 1.135 20 0 GDADMM C[C@@H](CNC(=O)c1coc(C2CCC2)n1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575056918 951524605 /nfs/dbraw/zinc/52/46/05/951524605.db2.gz MNPNDOBMJORBMD-JTQLQIEISA-N -1 1 383.416 1.167 20 0 GDADMM C[C@@H](CNC(=O)c1coc(C2CCC2)n1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575056918 951524608 /nfs/dbraw/zinc/52/46/08/951524608.db2.gz MNPNDOBMJORBMD-JTQLQIEISA-N -1 1 383.416 1.167 20 0 GDADMM C[C@@H](CNC(=O)c1csc(C2CC2)n1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575058133 951534882 /nfs/dbraw/zinc/53/48/82/951534882.db2.gz UXEQDHNLPKMWFH-SECBINFHSA-N -1 1 385.457 1.469 20 0 GDADMM C[C@@H](CNC(=O)c1csc(C2CC2)n1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575058133 951534892 /nfs/dbraw/zinc/53/48/92/951534892.db2.gz UXEQDHNLPKMWFH-SECBINFHSA-N -1 1 385.457 1.469 20 0 GDADMM C[C@H](CNC(=O)c1nc(Cl)cs1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575060681 951546085 /nfs/dbraw/zinc/54/60/85/951546085.db2.gz CTDMBMJHSVXHBC-ZETCQYMHSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@H](CNC(=O)c1nc(Cl)cs1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575060681 951546091 /nfs/dbraw/zinc/54/60/91/951546091.db2.gz CTDMBMJHSVXHBC-ZETCQYMHSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1csc(Cl)n1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575062424 951568521 /nfs/dbraw/zinc/56/85/21/951568521.db2.gz VWUPWYAPGCRSOX-ZETCQYMHSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@@H](CNC(=O)c1csc(Cl)n1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575062424 951568528 /nfs/dbraw/zinc/56/85/28/951568528.db2.gz VWUPWYAPGCRSOX-ZETCQYMHSA-N -1 1 379.837 1.021 20 0 GDADMM CC(C)Oc1cccnc1C(=O)NC[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575066122 951594084 /nfs/dbraw/zinc/59/40/84/951594084.db2.gz FVIXXJHFSLTALG-NSHDSACASA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1cccnc1C(=O)NC[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575066122 951594092 /nfs/dbraw/zinc/59/40/92/951594092.db2.gz FVIXXJHFSLTALG-NSHDSACASA-N -1 1 383.416 1.069 20 0 GDADMM C[C@H](CNC(=O)c1onc2c1CCCC2)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575069425 951644095 /nfs/dbraw/zinc/64/40/95/951644095.db2.gz ISHNAKADGRGJOQ-JTQLQIEISA-N -1 1 383.416 1.002 20 0 GDADMM C[C@H](CNC(=O)c1onc2c1CCCC2)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575069425 951644102 /nfs/dbraw/zinc/64/41/02/951644102.db2.gz ISHNAKADGRGJOQ-JTQLQIEISA-N -1 1 383.416 1.002 20 0 GDADMM C[C@H](CNC(=O)c1sccc1C(F)F)Nc1nccnc1-c1nnn[n-]1 ZINC001575069899 951646692 /nfs/dbraw/zinc/64/66/92/951646692.db2.gz NFQXIEBTENPXRV-SSDOTTSWSA-N -1 1 380.384 1.886 20 0 GDADMM C[C@H](CNC(=O)c1sccc1C(F)F)Nc1nccnc1-c1nn[n-]n1 ZINC001575069899 951646698 /nfs/dbraw/zinc/64/66/98/951646698.db2.gz NFQXIEBTENPXRV-SSDOTTSWSA-N -1 1 380.384 1.886 20 0 GDADMM C[C@H](CNC(=O)c1scnc1Cl)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575069915 951647083 /nfs/dbraw/zinc/64/70/83/951647083.db2.gz NNZOALRVTJCDSA-SSDOTTSWSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@H](CNC(=O)c1scnc1Cl)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575069915 951647090 /nfs/dbraw/zinc/64/70/90/951647090.db2.gz NNZOALRVTJCDSA-SSDOTTSWSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@H](CNC(=O)c1sccc1Cl)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575070888 951653458 /nfs/dbraw/zinc/65/34/58/951653458.db2.gz VAHCIVAXAYCTMX-QMMMGPOBSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@H](CNC(=O)c1sccc1Cl)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575070888 951653463 /nfs/dbraw/zinc/65/34/63/951653463.db2.gz VAHCIVAXAYCTMX-QMMMGPOBSA-N -1 1 378.849 1.850 20 0 GDADMM O=C([O-])CN1CC[C@@H](N[C@@H](CCO)c2cccc(OC(F)(F)F)c2)C1=O ZINC001595079765 951669898 /nfs/dbraw/zinc/66/98/98/951669898.db2.gz RNVXYUYLQSIIRX-QWHCGFSZSA-N -1 1 376.331 1.284 20 0 GDADMM O=C([O-])CN1CC[C@H](Sc2nc(-c3ccc4c(c3)OCCO4)n[nH]2)C1=O ZINC001595081010 951677100 /nfs/dbraw/zinc/67/71/00/951677100.db2.gz DCSXZDCRGQQBRB-LBPRGKRZSA-N -1 1 376.394 1.021 20 0 GDADMM O=C([O-])CN1CCCC[C@H](NCc2cc3c(cc2OC(F)F)OCO3)C1=O ZINC001595095413 951809612 /nfs/dbraw/zinc/80/96/12/951809612.db2.gz FFPBTLBRBNCJJU-NSHDSACASA-N -1 1 386.351 1.572 20 0 GDADMM O=C([O-])COC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC001595107458 951887866 /nfs/dbraw/zinc/88/78/66/951887866.db2.gz UACDZIZDFKEHJG-UHFFFAOYSA-N -1 1 393.373 1.500 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cc(Cl)cn1C ZINC001575132550 952093102 /nfs/dbraw/zinc/09/31/02/952093102.db2.gz GCCVQXVFTAJLLR-SECBINFHSA-N -1 1 375.824 1.221 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cc(Cl)cn1C ZINC001575132550 952093108 /nfs/dbraw/zinc/09/31/08/952093108.db2.gz GCCVQXVFTAJLLR-SECBINFHSA-N -1 1 375.824 1.221 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)C(C)(C)c1cccnc1 ZINC001575133551 952105308 /nfs/dbraw/zinc/10/53/08/952105308.db2.gz LAMKHLQVADYLLW-LBPRGKRZSA-N -1 1 381.444 1.288 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)C(C)(C)c1cccnc1 ZINC001575133551 952105312 /nfs/dbraw/zinc/10/53/12/952105312.db2.gz LAMKHLQVADYLLW-LBPRGKRZSA-N -1 1 381.444 1.288 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cccc(N(C)C)c1 ZINC001575135263 952116336 /nfs/dbraw/zinc/11/63/36/952116336.db2.gz PVNLWNRZFXERNW-LBPRGKRZSA-N -1 1 381.444 1.295 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cccc(N(C)C)c1 ZINC001575135263 952116339 /nfs/dbraw/zinc/11/63/39/952116339.db2.gz PVNLWNRZFXERNW-LBPRGKRZSA-N -1 1 381.444 1.295 20 0 GDADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)c1cncc(F)c1)C1CC1 ZINC001575135293 952118051 /nfs/dbraw/zinc/11/80/51/952118051.db2.gz QEOPFTLJSNFEPM-QGZVFWFLSA-N -1 1 383.391 1.201 20 0 GDADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)c1cncc(F)c1)C1CC1 ZINC001575135293 952118057 /nfs/dbraw/zinc/11/80/57/952118057.db2.gz QEOPFTLJSNFEPM-QGZVFWFLSA-N -1 1 383.391 1.201 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001575136788 952127435 /nfs/dbraw/zinc/12/74/35/952127435.db2.gz WVICWRYBXAVONI-VUYXQBRFSA-N -1 1 390.451 1.501 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001575136788 952127442 /nfs/dbraw/zinc/12/74/42/952127442.db2.gz WVICWRYBXAVONI-VUYXQBRFSA-N -1 1 390.451 1.501 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc(Cl)c(F)c1 ZINC001575144337 952164791 /nfs/dbraw/zinc/16/47/91/952164791.db2.gz HUQWPPVSJPCXOR-VIFPVBQESA-N -1 1 390.810 1.444 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)CCc1ccccc1F ZINC001575144838 952171541 /nfs/dbraw/zinc/17/15/41/952171541.db2.gz YEBYSCDEMIKDIA-GFCCVEGCSA-N -1 1 384.419 1.109 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C1(c2ccccc2)CCC1 ZINC001575144908 952173724 /nfs/dbraw/zinc/17/37/24/952173724.db2.gz ZCXBZUSMQBBDAM-AWEZNQCLSA-N -1 1 392.467 1.459 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)CC1(C(F)(F)F)CC1 ZINC001575153569 952211582 /nfs/dbraw/zinc/21/15/82/952211582.db2.gz IOWZAHSHLVXYPY-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)CC1(C(F)(F)F)CC1 ZINC001575153569 952211589 /nfs/dbraw/zinc/21/15/89/952211589.db2.gz IOWZAHSHLVXYPY-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)C[C@@H]1C[C@H]1C1CC1)C1CC1 ZINC001575153842 952213328 /nfs/dbraw/zinc/21/33/28/952213328.db2.gz LLWFKABWTAJLGN-PJFSTRORSA-N -1 1 382.472 1.790 20 0 GDADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)C[C@@H]1C[C@H]1C1CC1)C1CC1 ZINC001575153842 952213334 /nfs/dbraw/zinc/21/33/34/952213334.db2.gz LLWFKABWTAJLGN-PJFSTRORSA-N -1 1 382.472 1.790 20 0 GDADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)c1ccc(F)cc1)C1CC1 ZINC001575153984 952215020 /nfs/dbraw/zinc/21/50/20/952215020.db2.gz NBCHOJOLZHWTGO-GOSISDBHSA-N -1 1 382.403 1.806 20 0 GDADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)c1ccc(F)cc1)C1CC1 ZINC001575153984 952215023 /nfs/dbraw/zinc/21/50/23/952215023.db2.gz NBCHOJOLZHWTGO-GOSISDBHSA-N -1 1 382.403 1.806 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)C(C)(C)C1CCOCC1 ZINC001575154127 952216489 /nfs/dbraw/zinc/21/64/89/952216489.db2.gz OHBSROGWVPAIPB-GFCCVEGCSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)C(C)(C)C1CCOCC1 ZINC001575154127 952216494 /nfs/dbraw/zinc/21/64/94/952216494.db2.gz OHBSROGWVPAIPB-GFCCVEGCSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)C1CC2(CCC2)C1)C1CC1 ZINC001575154448 952224259 /nfs/dbraw/zinc/22/42/59/952224259.db2.gz DOCWVUBGLUTDLD-SFHVURJKSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)C1CC2(CCC2)C1)C1CC1 ZINC001575154448 952224265 /nfs/dbraw/zinc/22/42/65/952224265.db2.gz DOCWVUBGLUTDLD-SFHVURJKSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)c1ncccc1F)C1CC1 ZINC001575154632 952227536 /nfs/dbraw/zinc/22/75/36/952227536.db2.gz GLZPYBAPCNZFCT-QGZVFWFLSA-N -1 1 383.391 1.201 20 0 GDADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)c1ncccc1F)C1CC1 ZINC001575154632 952227542 /nfs/dbraw/zinc/22/75/42/952227542.db2.gz GLZPYBAPCNZFCT-QGZVFWFLSA-N -1 1 383.391 1.201 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)C(C)(C)[C@H]1CCCCO1 ZINC001575155033 952234080 /nfs/dbraw/zinc/23/40/80/952234080.db2.gz JPDWTYCEZULIFZ-GXTWGEPZSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)C(C)(C)[C@H]1CCCCO1 ZINC001575155033 952234087 /nfs/dbraw/zinc/23/40/87/952234087.db2.gz JPDWTYCEZULIFZ-GXTWGEPZSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)CC[C@@H]1CCCO1)C1CC1 ZINC001575155326 952237545 /nfs/dbraw/zinc/23/75/45/952237545.db2.gz KWRFVPDCGLJENC-UGSOOPFHSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)CC[C@@H]1CCCO1)C1CC1 ZINC001575155326 952237552 /nfs/dbraw/zinc/23/75/52/952237552.db2.gz KWRFVPDCGLJENC-UGSOOPFHSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)C[C@H]1CCC(F)(F)C1 ZINC001575155430 952238082 /nfs/dbraw/zinc/23/80/82/952238082.db2.gz YETRGQUEXRXXFQ-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)C[C@H]1CCC(F)(F)C1 ZINC001575155430 952238086 /nfs/dbraw/zinc/23/80/86/952238086.db2.gz YETRGQUEXRXXFQ-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cc2c(s1)CCC2 ZINC001575156053 952247461 /nfs/dbraw/zinc/24/74/61/952247461.db2.gz BTTQYXZCPYKMLY-SNVBAGLBSA-N -1 1 384.469 1.780 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc2c(s1)CCC2 ZINC001575156053 952247468 /nfs/dbraw/zinc/24/74/68/952247468.db2.gz BTTQYXZCPYKMLY-SNVBAGLBSA-N -1 1 384.469 1.780 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H]1CCCCC1(F)F ZINC001575156318 952251737 /nfs/dbraw/zinc/25/17/37/952251737.db2.gz DPHUWHOLQIMMSW-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCCCC1(F)F ZINC001575156318 952251743 /nfs/dbraw/zinc/25/17/43/952251743.db2.gz DPHUWHOLQIMMSW-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H]1Cc2ccc(F)cc21 ZINC001575156631 952255011 /nfs/dbraw/zinc/25/50/11/952255011.db2.gz HARHAHAVZITIDC-HZMBPMFUSA-N -1 1 382.403 1.395 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1Cc2ccc(F)cc21 ZINC001575156631 952255017 /nfs/dbraw/zinc/25/50/17/952255017.db2.gz HARHAHAVZITIDC-HZMBPMFUSA-N -1 1 382.403 1.395 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)COc1ccc(F)cc1 ZINC001575156758 952256695 /nfs/dbraw/zinc/25/66/95/952256695.db2.gz IAUNMRWUFIGGAK-LLVKDONJSA-N -1 1 386.391 1.134 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)COc1ccc(F)cc1 ZINC001575156758 952256700 /nfs/dbraw/zinc/25/67/00/952256700.db2.gz IAUNMRWUFIGGAK-LLVKDONJSA-N -1 1 386.391 1.134 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ccc(Cl)s1 ZINC001575156855 952258676 /nfs/dbraw/zinc/25/86/76/952258676.db2.gz WUHYXVCGFCSIFV-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ccc(Cl)s1 ZINC001575156855 952258682 /nfs/dbraw/zinc/25/86/82/952258682.db2.gz WUHYXVCGFCSIFV-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)C[C@@H]1CCC(C)(C)CO1 ZINC001575157884 952267678 /nfs/dbraw/zinc/26/76/78/952267678.db2.gz QBZHJXBYRCMWGW-STQMWFEESA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)C[C@@H]1CCC(C)(C)CO1 ZINC001575157884 952267684 /nfs/dbraw/zinc/26/76/84/952267684.db2.gz QBZHJXBYRCMWGW-STQMWFEESA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)[C@H]1CC1(F)F ZINC001575164521 952295927 /nfs/dbraw/zinc/29/59/27/952295927.db2.gz FBYWLMXKBARMFV-PHDIDXHHSA-N -1 1 377.808 1.891 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)[C@H]1CC1(F)F ZINC001575164521 952295928 /nfs/dbraw/zinc/29/59/28/952295928.db2.gz FBYWLMXKBARMFV-PHDIDXHHSA-N -1 1 377.808 1.891 20 0 GDADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)c1cncn1C ZINC001575165319 952306669 /nfs/dbraw/zinc/30/66/69/952306669.db2.gz NIVNHDBFPUEFDR-ZETCQYMHSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)Cc1cnoc1 ZINC001575165975 952317305 /nfs/dbraw/zinc/31/73/05/952317305.db2.gz RMNKWGAOOGNZIU-ZETCQYMHSA-N -1 1 382.837 1.466 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)Cc1cnoc1 ZINC001575165975 952317308 /nfs/dbraw/zinc/31/73/08/952317308.db2.gz RMNKWGAOOGNZIU-ZETCQYMHSA-N -1 1 382.837 1.466 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)Cn1ccnc1 ZINC001575166231 952322454 /nfs/dbraw/zinc/32/24/54/952322454.db2.gz TXYDTIUWYOAOOL-QMMMGPOBSA-N -1 1 381.853 1.132 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)Cn1ccnc1 ZINC001575166231 952322461 /nfs/dbraw/zinc/32/24/61/952322461.db2.gz TXYDTIUWYOAOOL-QMMMGPOBSA-N -1 1 381.853 1.132 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001575173858 952357326 /nfs/dbraw/zinc/35/73/26/952357326.db2.gz BKNZDZCCSVAASX-MSQAHXEGSA-N -1 1 390.451 1.501 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001575173858 952357333 /nfs/dbraw/zinc/35/73/33/952357333.db2.gz BKNZDZCCSVAASX-MSQAHXEGSA-N -1 1 390.451 1.501 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ccn(C(C)(C)C)n1 ZINC001575177049 952398424 /nfs/dbraw/zinc/39/84/24/952398424.db2.gz GJWGNTORANTPTO-LLVKDONJSA-N -1 1 384.448 1.181 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ccn(C(C)(C)C)n1 ZINC001575177049 952398429 /nfs/dbraw/zinc/39/84/29/952398429.db2.gz GJWGNTORANTPTO-LLVKDONJSA-N -1 1 384.448 1.181 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001575178082 952403688 /nfs/dbraw/zinc/40/36/88/952403688.db2.gz KDRFMOTYAAWTLM-KWCYVHTRSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001575178082 952403692 /nfs/dbraw/zinc/40/36/92/952403692.db2.gz KDRFMOTYAAWTLM-KWCYVHTRSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)c1cccn1C ZINC001575180949 952419716 /nfs/dbraw/zinc/41/97/16/952419716.db2.gz YNIGLMPZWJWKGN-MRVPVSSYSA-N -1 1 380.865 1.888 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)c1cccn1C ZINC001575180949 952419721 /nfs/dbraw/zinc/41/97/21/952419721.db2.gz YNIGLMPZWJWKGN-MRVPVSSYSA-N -1 1 380.865 1.888 20 0 GDADMM C[C@@H](Cc1ccc(F)cc1)C(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001575187562 952442484 /nfs/dbraw/zinc/44/24/84/952442484.db2.gz DDWAMMOQFBMEMJ-LBPRGKRZSA-N -1 1 384.419 1.545 20 0 GDADMM C[C@@H](Cc1ccc(F)cc1)C(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001575187562 952442489 /nfs/dbraw/zinc/44/24/89/952442489.db2.gz DDWAMMOQFBMEMJ-LBPRGKRZSA-N -1 1 384.419 1.545 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001575187649 952443648 /nfs/dbraw/zinc/44/36/48/952443648.db2.gz DNVKDUHKGRNRMD-CHWSQXEVSA-N -1 1 382.428 1.389 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001575187649 952443652 /nfs/dbraw/zinc/44/36/52/952443652.db2.gz DNVKDUHKGRNRMD-CHWSQXEVSA-N -1 1 382.428 1.389 20 0 GDADMM CCc1ncncc1C(=O)Nc1ccc(Br)c(-c2nnn[n-]2)n1 ZINC001571114072 952447485 /nfs/dbraw/zinc/44/74/85/952447485.db2.gz AFHIBGXBHNFWAF-UHFFFAOYSA-N -1 1 375.190 1.629 20 0 GDADMM CCc1ncncc1C(=O)Nc1ccc(Br)c(-c2nn[n-]n2)n1 ZINC001571114072 952447488 /nfs/dbraw/zinc/44/74/88/952447488.db2.gz AFHIBGXBHNFWAF-UHFFFAOYSA-N -1 1 375.190 1.629 20 0 GDADMM Cc1cc(=O)n(C)cc1NC(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001571114345 952452565 /nfs/dbraw/zinc/45/25/65/952452565.db2.gz HDNKZTFSTTUOFH-UHFFFAOYSA-N -1 1 375.339 1.474 20 0 GDADMM Cc1cc(=O)n(C)cc1NC(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001571114345 952452576 /nfs/dbraw/zinc/45/25/76/952452576.db2.gz HDNKZTFSTTUOFH-UHFFFAOYSA-N -1 1 375.339 1.474 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575189342 952455393 /nfs/dbraw/zinc/45/53/93/952455393.db2.gz NMYHEESSZHFQES-CHWSQXEVSA-N -1 1 382.428 1.166 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575189342 952455397 /nfs/dbraw/zinc/45/53/97/952455397.db2.gz NMYHEESSZHFQES-CHWSQXEVSA-N -1 1 382.428 1.166 20 0 GDADMM C[C@](O)(CNC(=O)Nc1cccc(-c2nnn[n-]2)n1)c1ccc(F)cc1F ZINC001571115548 952467737 /nfs/dbraw/zinc/46/77/37/952467737.db2.gz XYUDXVBQCYCOQM-INIZCTEOSA-N -1 1 375.339 1.569 20 0 GDADMM C[C@](O)(CNC(=O)Nc1cccc(-c2nn[n-]n2)n1)c1ccc(F)cc1F ZINC001571115548 952467740 /nfs/dbraw/zinc/46/77/40/952467740.db2.gz XYUDXVBQCYCOQM-INIZCTEOSA-N -1 1 375.339 1.569 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575195909 952473490 /nfs/dbraw/zinc/47/34/90/952473490.db2.gz DFHDJNCKOKEWAZ-LALPHHSUSA-N -1 1 382.428 1.387 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575195909 952473493 /nfs/dbraw/zinc/47/34/93/952473493.db2.gz DFHDJNCKOKEWAZ-LALPHHSUSA-N -1 1 382.428 1.387 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575196818 952476440 /nfs/dbraw/zinc/47/64/40/952476440.db2.gz JKSNUUITXMKYGD-CHWSQXEVSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575196818 952476441 /nfs/dbraw/zinc/47/64/41/952476441.db2.gz JKSNUUITXMKYGD-CHWSQXEVSA-N -1 1 382.428 1.214 20 0 GDADMM Cc1nc(-c2nn[n-]n2)c(N2CCC(C(=O)N[C@@H]3CCOC3(C)C)CC2)o1 ZINC001571116795 952477036 /nfs/dbraw/zinc/47/70/36/952477036.db2.gz CLKSINOCMLLHHY-GFCCVEGCSA-N -1 1 375.433 1.063 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575197034 952479756 /nfs/dbraw/zinc/47/97/56/952479756.db2.gz MCSOSOPGEPTKRV-OLZOCXBDSA-N -1 1 382.428 1.071 20 0 GDADMM CCNC(=O)c1cc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)c(C)s1 ZINC001571117191 952480685 /nfs/dbraw/zinc/48/06/85/952480685.db2.gz IEWZRAURZUZFGG-UHFFFAOYSA-N -1 1 375.414 1.464 20 0 GDADMM CCNC(=O)c1cc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)c(C)s1 ZINC001571117191 952480690 /nfs/dbraw/zinc/48/06/90/952480690.db2.gz IEWZRAURZUZFGG-UHFFFAOYSA-N -1 1 375.414 1.464 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575197452 952484659 /nfs/dbraw/zinc/48/46/59/952484659.db2.gz WGSCKMMLDOSXME-STQMWFEESA-N -1 1 382.428 1.071 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575197452 952484662 /nfs/dbraw/zinc/48/46/62/952484662.db2.gz WGSCKMMLDOSXME-STQMWFEESA-N -1 1 382.428 1.071 20 0 GDADMM O=C(NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1)[C@@H]1Cc2ccccc21 ZINC001571119696 952494270 /nfs/dbraw/zinc/49/42/70/952494270.db2.gz DPFQYKQRQQXARQ-ABIUDSBCSA-N -1 1 376.424 1.303 20 0 GDADMM O=C(NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1)[C@@H]1Cc2ccccc21 ZINC001571119696 952494279 /nfs/dbraw/zinc/49/42/79/952494279.db2.gz DPFQYKQRQQXARQ-ABIUDSBCSA-N -1 1 376.424 1.303 20 0 GDADMM O=C([C@H]1CC1(F)F)N1CC[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571121195 952516818 /nfs/dbraw/zinc/51/68/18/952516818.db2.gz XZMQPWQOQNNKGS-PHDIDXHHSA-N -1 1 375.792 1.645 20 0 GDADMM O=C([C@H]1CC1(F)F)N1CC[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571121195 952516822 /nfs/dbraw/zinc/51/68/22/952516822.db2.gz XZMQPWQOQNNKGS-PHDIDXHHSA-N -1 1 375.792 1.645 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)[C@@H](CC)SC)C2)cc(-c2nnn[n-]2)n1 ZINC001571121967 952524260 /nfs/dbraw/zinc/52/42/60/952524260.db2.gz GMGNHICSNAVYPA-ZYHUDNBSSA-N -1 1 376.490 1.374 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)[C@@H](CC)SC)C2)cc(-c2nn[n-]n2)n1 ZINC001571121967 952524266 /nfs/dbraw/zinc/52/42/66/952524266.db2.gz GMGNHICSNAVYPA-ZYHUDNBSSA-N -1 1 376.490 1.374 20 0 GDADMM COc1cc(Cn2ccc(C)c(-c3nn[n-]n3)c2=O)c(Br)cn1 ZINC001571123076 952527770 /nfs/dbraw/zinc/52/77/70/952527770.db2.gz NRQUGJBGWFQTPB-UHFFFAOYSA-N -1 1 377.202 1.551 20 0 GDADMM O=S(=O)(N[C@@H]1CCc2cc(Cl)ccc21)c1cccnc1-c1nn[n-]n1 ZINC001571123146 952529845 /nfs/dbraw/zinc/52/98/45/952529845.db2.gz QHAMRHIKJNCSJK-GFCCVEGCSA-N -1 1 376.829 1.881 20 0 GDADMM Cc1nscc1C(=O)N1CC[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571123738 952532568 /nfs/dbraw/zinc/53/25/68/952532568.db2.gz VLVCDZXRFOWRKL-VIFPVBQESA-N -1 1 376.471 1.723 20 0 GDADMM C[C@@H](Cn1c(=O)c(-c2nn[n-]n2)cn(CC(=O)OC(C)(C)C)c1=O)C(C)(C)C ZINC001575208008 952537256 /nfs/dbraw/zinc/53/72/56/952537256.db2.gz YRBDDTRNSBHTKV-NSHDSACASA-N -1 1 392.460 1.214 20 0 GDADMM CC(=O)NCC[C@@H]1CCCN(C(=O)NCc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571127627 952558069 /nfs/dbraw/zinc/55/80/69/952558069.db2.gz KDGFBVPVPWDZTF-LBPRGKRZSA-N -1 1 377.474 1.376 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001575213683 952559984 /nfs/dbraw/zinc/55/99/84/952559984.db2.gz FJJJPOQMUDTGNV-SNVBAGLBSA-N -1 1 380.403 1.599 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001575213683 952559990 /nfs/dbraw/zinc/55/99/90/952559990.db2.gz FJJJPOQMUDTGNV-SNVBAGLBSA-N -1 1 380.403 1.599 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1 ZINC001575214515 952565652 /nfs/dbraw/zinc/56/56/52/952565652.db2.gz LPLDZUZEIHAYDR-SCVCMEIPSA-N -1 1 392.414 1.564 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1 ZINC001575214515 952565664 /nfs/dbraw/zinc/56/56/64/952565664.db2.gz LPLDZUZEIHAYDR-SCVCMEIPSA-N -1 1 392.414 1.564 20 0 GDADMM COc1cncc(CNS(=O)(=O)c2c(C)cc(F)cc2-c2nn[n-]n2)c1 ZINC001571129804 952576535 /nfs/dbraw/zinc/57/65/35/952576535.db2.gz JIZZAOGHRRTVPR-UHFFFAOYSA-N -1 1 378.389 1.196 20 0 GDADMM O=C([C@@H]1CC1(F)F)N1CCC[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571130020 952578409 /nfs/dbraw/zinc/57/84/09/952578409.db2.gz MZNDVPSNAHYRDJ-MNOVXSKESA-N -1 1 378.387 1.353 20 0 GDADMM O=C([C@@H]1CC1(F)F)N1CCC[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571130020 952578412 /nfs/dbraw/zinc/57/84/12/952578412.db2.gz MZNDVPSNAHYRDJ-MNOVXSKESA-N -1 1 378.387 1.353 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)C2CC(F)(F)C2)CCN1c1nccnc1-c1nnn[n-]1 ZINC001571130027 952579009 /nfs/dbraw/zinc/57/90/09/952579009.db2.gz NDVJKVAMGVHDSS-WDEREUQCSA-N -1 1 378.387 1.176 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)C2CC(F)(F)C2)CCN1c1nccnc1-c1nn[n-]n1 ZINC001571130027 952579013 /nfs/dbraw/zinc/57/90/13/952579013.db2.gz NDVJKVAMGVHDSS-WDEREUQCSA-N -1 1 378.387 1.176 20 0 GDADMM CN(c1ccnc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)C2(C(C)(F)F)CC2)C1 ZINC001571130932 952582865 /nfs/dbraw/zinc/58/28/65/952582865.db2.gz YWOADHKEGWONOC-JTQLQIEISA-N -1 1 378.387 1.129 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)[C@@H]2C)cc1 ZINC001571134208 952587258 /nfs/dbraw/zinc/58/72/58/952587258.db2.gz GEQVXMAZGODICT-UKRRQHHQSA-N -1 1 378.440 1.752 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)[C@@H]2C)cc1 ZINC001571134208 952587263 /nfs/dbraw/zinc/58/72/63/952587263.db2.gz GEQVXMAZGODICT-UKRRQHHQSA-N -1 1 378.440 1.752 20 0 GDADMM Cc1ccccc1CC(=O)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571134272 952588472 /nfs/dbraw/zinc/58/84/72/952588472.db2.gz GWIZILCPCRUCDE-OAHLLOKOSA-N -1 1 378.440 1.611 20 0 GDADMM Cc1ccccc1CC(=O)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571134272 952588476 /nfs/dbraw/zinc/58/84/76/952588476.db2.gz GWIZILCPCRUCDE-OAHLLOKOSA-N -1 1 378.440 1.611 20 0 GDADMM CCC(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC[C@@H]1c1ccccc1 ZINC001571134983 952598541 /nfs/dbraw/zinc/59/85/41/952598541.db2.gz OISSDLRDCRXSRL-HUUCEWRRSA-N -1 1 378.440 1.545 20 0 GDADMM CCC(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC[C@@H]1c1ccccc1 ZINC001571134983 952598543 /nfs/dbraw/zinc/59/85/43/952598543.db2.gz OISSDLRDCRXSRL-HUUCEWRRSA-N -1 1 378.440 1.545 20 0 GDADMM Cc1nn(C)c(NC(=O)CN(C(=O)OC(C)(C)C)C(C)C)c1-c1nnn[n-]1 ZINC001571135155 952600751 /nfs/dbraw/zinc/60/07/51/952600751.db2.gz QDRVFESGRBBESC-UHFFFAOYSA-N -1 1 378.437 1.493 20 0 GDADMM Cc1nn(C)c(NC(=O)CN(C(=O)OC(C)(C)C)C(C)C)c1-c1nn[n-]n1 ZINC001571135155 952600761 /nfs/dbraw/zinc/60/07/61/952600761.db2.gz QDRVFESGRBBESC-UHFFFAOYSA-N -1 1 378.437 1.493 20 0 GDADMM Cc1cccc(CC(=O)N2CCC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571135338 952602158 /nfs/dbraw/zinc/60/21/58/952602158.db2.gz VYVSQHCCQRXXOW-OAHLLOKOSA-N -1 1 378.440 1.611 20 0 GDADMM Cc1cccc(CC(=O)N2CCC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571135338 952602160 /nfs/dbraw/zinc/60/21/60/952602160.db2.gz VYVSQHCCQRXXOW-OAHLLOKOSA-N -1 1 378.440 1.611 20 0 GDADMM CCc1ccccc1CC(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571135314 952602608 /nfs/dbraw/zinc/60/26/08/952602608.db2.gz TZNXLRYROFODCU-OAHLLOKOSA-N -1 1 378.440 1.157 20 0 GDADMM CCc1ccccc1CC(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571135314 952602613 /nfs/dbraw/zinc/60/26/13/952602613.db2.gz TZNXLRYROFODCU-OAHLLOKOSA-N -1 1 378.440 1.157 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571141923 952637078 /nfs/dbraw/zinc/63/70/78/952637078.db2.gz KNUFDTJVJAJAIP-QMMMGPOBSA-N -1 1 378.849 1.940 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571141923 952637082 /nfs/dbraw/zinc/63/70/82/952637082.db2.gz KNUFDTJVJAJAIP-QMMMGPOBSA-N -1 1 378.849 1.940 20 0 GDADMM O=C(NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cc2c([nH]1)CCC2 ZINC001571146154 952648230 /nfs/dbraw/zinc/64/82/30/952648230.db2.gz DMYYWYQBIDOBKA-UMSPYCQHSA-N -1 1 379.428 1.094 20 0 GDADMM O=C(NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cc2c([nH]1)CCC2 ZINC001571146154 952648233 /nfs/dbraw/zinc/64/82/33/952648233.db2.gz DMYYWYQBIDOBKA-UMSPYCQHSA-N -1 1 379.428 1.094 20 0 GDADMM O=C(c1ccc[nH]1)N1C[C@@H]2CCC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@H]2C1 ZINC001571146712 952651800 /nfs/dbraw/zinc/65/18/00/952651800.db2.gz LTGZKWPBSVCVNB-RWMBFGLXSA-N -1 1 379.428 1.338 20 0 GDADMM O=C(c1ccc[nH]1)N1C[C@@H]2CCC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@H]2C1 ZINC001571146712 952651805 /nfs/dbraw/zinc/65/18/05/952651805.db2.gz LTGZKWPBSVCVNB-RWMBFGLXSA-N -1 1 379.428 1.338 20 0 GDADMM C[C@@H]1CN(C(=O)c2c[nH]cc2C2CC2)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571147127 952657560 /nfs/dbraw/zinc/65/75/60/952657560.db2.gz GWGNMQJUCUKFIA-BMIGLBTASA-N -1 1 379.428 1.435 20 0 GDADMM C[C@@H]1CN(C(=O)c2c[nH]cc2C2CC2)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571147127 952657562 /nfs/dbraw/zinc/65/75/62/952657562.db2.gz GWGNMQJUCUKFIA-BMIGLBTASA-N -1 1 379.428 1.435 20 0 GDADMM CCc1cccnc1C(=O)N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571147154 952657888 /nfs/dbraw/zinc/65/78/88/952657888.db2.gz HQCZYWNAZICFOC-UHFFFAOYSA-N -1 1 379.428 1.331 20 0 GDADMM CCc1cccnc1C(=O)N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571147154 952657891 /nfs/dbraw/zinc/65/78/91/952657891.db2.gz HQCZYWNAZICFOC-UHFFFAOYSA-N -1 1 379.428 1.331 20 0 GDADMM Cc1coc(C(=O)N[C@@H]2CCN(c3snc(Cl)c3-c3nnn[n-]3)C2)c1 ZINC001571152904 952684073 /nfs/dbraw/zinc/68/40/73/952684073.db2.gz KRDQVKXXIYHHRH-MRVPVSSYSA-N -1 1 379.833 1.887 20 0 GDADMM Cc1coc(C(=O)N[C@@H]2CCN(c3snc(Cl)c3-c3nn[n-]n3)C2)c1 ZINC001571152904 952684075 /nfs/dbraw/zinc/68/40/75/952684075.db2.gz KRDQVKXXIYHHRH-MRVPVSSYSA-N -1 1 379.833 1.887 20 0 GDADMM Cc1ccc([C@H](CC(F)(F)F)NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC001571152908 952684100 /nfs/dbraw/zinc/68/41/00/952684100.db2.gz KTUUANZSIPIBSC-NSHDSACASA-N -1 1 380.334 1.577 20 0 GDADMM C[C@H]1CCN(C(=O)CC(C)(F)F)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571154983 952690630 /nfs/dbraw/zinc/69/06/30/952690630.db2.gz DBPLRRRDRUKMKB-WDEREUQCSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H]1CCN(C(=O)CC(C)(F)F)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571154983 952690635 /nfs/dbraw/zinc/69/06/35/952690635.db2.gz DBPLRRRDRUKMKB-WDEREUQCSA-N -1 1 380.403 1.599 20 0 GDADMM CCN(Cc1ccccc1)C(=O)CNC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001571155495 952698223 /nfs/dbraw/zinc/69/82/23/952698223.db2.gz UNTQTKXQILDIKF-UHFFFAOYSA-N -1 1 380.412 1.432 20 0 GDADMM CCN(Cc1ccccc1)C(=O)CNC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001571155495 952698224 /nfs/dbraw/zinc/69/82/24/952698224.db2.gz UNTQTKXQILDIKF-UHFFFAOYSA-N -1 1 380.412 1.432 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001571155554 952698705 /nfs/dbraw/zinc/69/87/05/952698705.db2.gz WLQKQAYVZCQTDM-QWRGUYRKSA-N -1 1 380.403 1.375 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H]1CCN(C(=O)c2ccccc2O)C1 ZINC001571155692 952698805 /nfs/dbraw/zinc/69/88/05/952698805.db2.gz XVSULKRGURPDOK-NEPJUHHUSA-N -1 1 380.412 1.325 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H]1CCN(C(=O)c2ccccc2O)C1 ZINC001571155692 952698808 /nfs/dbraw/zinc/69/88/08/952698808.db2.gz XVSULKRGURPDOK-NEPJUHHUSA-N -1 1 380.412 1.325 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)c2ccccc2O)C1 ZINC001571155695 952698950 /nfs/dbraw/zinc/69/89/50/952698950.db2.gz XVSULKRGURPDOK-VXGBXAGGSA-N -1 1 380.412 1.325 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)c2ccccc2O)C1 ZINC001571155695 952698952 /nfs/dbraw/zinc/69/89/52/952698952.db2.gz XVSULKRGURPDOK-VXGBXAGGSA-N -1 1 380.412 1.325 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)[C@@H](C)C2)ccn1 ZINC001571156822 952706141 /nfs/dbraw/zinc/70/61/41/952706141.db2.gz KRSORTYIWUTWMG-GXTWGEPZSA-N -1 1 379.428 1.147 20 0 GDADMM Cc1cccc(C(=O)N2C[C@@H](C)[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001571157234 952706902 /nfs/dbraw/zinc/70/69/02/952706902.db2.gz NPQQCTRDRBIMNS-YPMHNXCESA-N -1 1 379.428 1.180 20 0 GDADMM Cc1cccc(C(=O)N2C[C@@H](C)[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001571157234 952706904 /nfs/dbraw/zinc/70/69/04/952706904.db2.gz NPQQCTRDRBIMNS-YPMHNXCESA-N -1 1 379.428 1.180 20 0 GDADMM COc1ccccc1C(=O)NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571157859 952707959 /nfs/dbraw/zinc/70/79/59/952707959.db2.gz APGAPZLXZILVBN-GFCCVEGCSA-N -1 1 380.412 1.064 20 0 GDADMM COc1ccccc1C(=O)NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571157859 952707961 /nfs/dbraw/zinc/70/79/61/952707961.db2.gz APGAPZLXZILVBN-GFCCVEGCSA-N -1 1 380.412 1.064 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CC2(C)C)cn1 ZINC001571158010 952709086 /nfs/dbraw/zinc/70/90/86/952709086.db2.gz PUHKZCLOEZNCMN-AWEZNQCLSA-N -1 1 379.428 1.005 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CC2(C)C)cn1 ZINC001571158010 952709090 /nfs/dbraw/zinc/70/90/90/952709090.db2.gz PUHKZCLOEZNCMN-AWEZNQCLSA-N -1 1 379.428 1.005 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CCC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001571158041 952709103 /nfs/dbraw/zinc/70/91/03/952709103.db2.gz QCICDSSYRPZFMQ-KBPBESRZSA-N -1 1 379.428 1.513 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CCC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571158041 952709106 /nfs/dbraw/zinc/70/91/06/952709106.db2.gz QCICDSSYRPZFMQ-KBPBESRZSA-N -1 1 379.428 1.513 20 0 GDADMM Cc1occc1C(=O)N1[C@@H]2CC[C@H]1CN(c1nc(C)cc(-c3nnn[n-]3)n1)C2 ZINC001571158332 952710913 /nfs/dbraw/zinc/71/09/13/952710913.db2.gz HMEQRLFYXYFYPO-BETUJISGSA-N -1 1 380.412 1.360 20 0 GDADMM Cc1occc1C(=O)N1[C@@H]2CC[C@H]1CN(c1nc(C)cc(-c3nn[n-]n3)n1)C2 ZINC001571158332 952710919 /nfs/dbraw/zinc/71/09/19/952710919.db2.gz HMEQRLFYXYFYPO-BETUJISGSA-N -1 1 380.412 1.360 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H]3[C@@H]2CCCN3C(=O)c2ccco2)n1 ZINC001571158291 952711519 /nfs/dbraw/zinc/71/15/19/952711519.db2.gz GJCGCPHXLCQNTA-KBPBESRZSA-N -1 1 380.412 1.442 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H]3[C@@H]2CCCN3C(=O)c2ccco2)n1 ZINC001571158291 952711525 /nfs/dbraw/zinc/71/15/25/952711525.db2.gz GJCGCPHXLCQNTA-KBPBESRZSA-N -1 1 380.412 1.442 20 0 GDADMM Cc1cncc(C(=O)N2CCC[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571158913 952716450 /nfs/dbraw/zinc/71/64/50/952716450.db2.gz UEOVDOLFPJHHBR-ZDUSSCGKSA-N -1 1 379.428 1.324 20 0 GDADMM Cc1cncc(C(=O)N2CCC[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571158913 952716453 /nfs/dbraw/zinc/71/64/53/952716453.db2.gz UEOVDOLFPJHHBR-ZDUSSCGKSA-N -1 1 379.428 1.324 20 0 GDADMM C[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1NC(=O)c1ccoc1C1CC1 ZINC001571159257 952718777 /nfs/dbraw/zinc/71/87/77/952718777.db2.gz SGZPCRJQVSDFBY-QMTHXVAHSA-N -1 1 380.412 1.382 20 0 GDADMM C[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1NC(=O)c1ccoc1C1CC1 ZINC001571159257 952718782 /nfs/dbraw/zinc/71/87/82/952718782.db2.gz SGZPCRJQVSDFBY-QMTHXVAHSA-N -1 1 380.412 1.382 20 0 GDADMM Cc1ccoc1C(=O)N[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2 ZINC001571161185 952730736 /nfs/dbraw/zinc/73/07/36/952730736.db2.gz QIHXNHMXEBKGCA-QWHCGFSZSA-N -1 1 380.412 1.711 20 0 GDADMM Cc1ccoc1C(=O)N[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2 ZINC001571161185 952730740 /nfs/dbraw/zinc/73/07/40/952730740.db2.gz QIHXNHMXEBKGCA-QWHCGFSZSA-N -1 1 380.412 1.711 20 0 GDADMM O=C(c1ncccc1[O-])N1CCCC[C@@H]1CNc1ccc(-c2nn[nH]n2)nc1 ZINC001571162370 952743568 /nfs/dbraw/zinc/74/35/68/952743568.db2.gz SBYNZIGXQRBPNC-CYBMUJFWSA-N -1 1 380.412 1.469 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC24CC4)C3)n1 ZINC001571166813 952765643 /nfs/dbraw/zinc/76/56/43/952765643.db2.gz QFYDOKLYBXCQIX-UHXUPSOCSA-N -1 1 380.456 1.245 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC24CC4)C3)n1 ZINC001571166813 952765645 /nfs/dbraw/zinc/76/56/45/952765645.db2.gz QFYDOKLYBXCQIX-UHXUPSOCSA-N -1 1 380.456 1.245 20 0 GDADMM O=C(C1=CCCC1)N1C[C@@H]2CCC[C@@H](Nc3nccnc3-c3nnn[n-]3)[C@@H]2C1 ZINC001571171753 952796814 /nfs/dbraw/zinc/79/68/14/952796814.db2.gz FWCOSZQLMZSKLY-RRFJBIMHSA-N -1 1 380.456 1.806 20 0 GDADMM O=C(C1=CCCC1)N1C[C@@H]2CCC[C@@H](Nc3nccnc3-c3nn[n-]n3)[C@@H]2C1 ZINC001571171753 952796819 /nfs/dbraw/zinc/79/68/19/952796819.db2.gz FWCOSZQLMZSKLY-RRFJBIMHSA-N -1 1 380.456 1.806 20 0 GDADMM COc1c(Cl)cccc1CNS(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001571171758 952796910 /nfs/dbraw/zinc/79/69/10/952796910.db2.gz GEBQHRWARCFTGP-UHFFFAOYSA-N -1 1 380.817 1.402 20 0 GDADMM O=C(N[C@]12CCC[C@H]1CN(c1cncc(-c3nnn[n-]3)n1)C2)[C@@H]1C[C@H]1C1CC1 ZINC001571172045 952801594 /nfs/dbraw/zinc/80/15/94/952801594.db2.gz LDGWOVNVSIJXII-PJHJGJPPSA-N -1 1 380.456 1.178 20 0 GDADMM O=C(N[C@]12CCC[C@H]1CN(c1cncc(-c3nn[n-]n3)n1)C2)[C@@H]1C[C@H]1C1CC1 ZINC001571172045 952801598 /nfs/dbraw/zinc/80/15/98/952801598.db2.gz LDGWOVNVSIJXII-PJHJGJPPSA-N -1 1 380.456 1.178 20 0 GDADMM O=c1cc(-c2nn[n-]n2)ncn1CCOc1cc(F)cc(Br)c1 ZINC001571172229 952804574 /nfs/dbraw/zinc/80/45/74/952804574.db2.gz QESZQJMZGOGRMB-UHFFFAOYSA-N -1 1 381.165 1.404 20 0 GDADMM O=C(N[C@@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C12CCC2)[C@H]1C[C@H]2C[C@H]2C1 ZINC001571172865 952809982 /nfs/dbraw/zinc/80/99/82/952809982.db2.gz ZTIXGCDQODXPBU-MQLXINIDSA-N -1 1 380.456 1.542 20 0 GDADMM O=C(N[C@@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C12CCC2)[C@H]1C[C@H]2C[C@H]2C1 ZINC001571172865 952809987 /nfs/dbraw/zinc/80/99/87/952809987.db2.gz ZTIXGCDQODXPBU-MQLXINIDSA-N -1 1 380.456 1.542 20 0 GDADMM CCc1nc(N[C@H]2CCN(C(=O)c3cc[nH]c3C)[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571183434 952877722 /nfs/dbraw/zinc/87/77/22/952877722.db2.gz ACGMNDWAYLXWAO-YPMHNXCESA-N -1 1 381.444 1.571 20 0 GDADMM CCc1nc(N[C@H]2CCN(C(=O)c3cc[nH]c3C)[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571183434 952877725 /nfs/dbraw/zinc/87/77/25/952877725.db2.gz ACGMNDWAYLXWAO-YPMHNXCESA-N -1 1 381.444 1.571 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)[C@@H](C)n3cccc3)C2)cc(-c2nnn[n-]2)n1 ZINC001571183465 952878714 /nfs/dbraw/zinc/87/87/14/952878714.db2.gz BBIXOPOOZHNDCH-CHWSQXEVSA-N -1 1 381.444 1.295 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)[C@@H](C)n3cccc3)C2)cc(-c2nn[n-]n2)n1 ZINC001571183465 952878717 /nfs/dbraw/zinc/87/87/17/952878717.db2.gz BBIXOPOOZHNDCH-CHWSQXEVSA-N -1 1 381.444 1.295 20 0 GDADMM CN(C(=O)c1ccn(C)c1)C1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001571184611 952895766 /nfs/dbraw/zinc/89/57/66/952895766.db2.gz BAXLYAKINTVMMS-UHFFFAOYSA-N -1 1 381.444 1.491 20 0 GDADMM CN(C(=O)c1ccn(C)c1)C1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001571184611 952895771 /nfs/dbraw/zinc/89/57/71/952895771.db2.gz BAXLYAKINTVMMS-UHFFFAOYSA-N -1 1 381.444 1.491 20 0 GDADMM Cc1cc(C(=O)N2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C[C@H]2C)c(C)n1C ZINC001571184997 952897924 /nfs/dbraw/zinc/89/79/24/952897924.db2.gz GMOPIVKFEXUHSD-DGCLKSJQSA-N -1 1 381.444 1.327 20 0 GDADMM Cc1cc(C(=O)N2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C[C@H]2C)c(C)n1C ZINC001571184997 952897926 /nfs/dbraw/zinc/89/79/26/952897926.db2.gz GMOPIVKFEXUHSD-DGCLKSJQSA-N -1 1 381.444 1.327 20 0 GDADMM Cc1c(C(=O)NC[C@H]2CCCCN2c2cncc(-c3nnn[n-]3)n2)ccn1C ZINC001571186080 952904558 /nfs/dbraw/zinc/90/45/58/952904558.db2.gz RWICBXFGHOPTDJ-CYBMUJFWSA-N -1 1 381.444 1.093 20 0 GDADMM Cc1c(C(=O)NC[C@H]2CCCCN2c2cncc(-c3nn[n-]n3)n2)ccn1C ZINC001571186080 952904561 /nfs/dbraw/zinc/90/45/61/952904561.db2.gz RWICBXFGHOPTDJ-CYBMUJFWSA-N -1 1 381.444 1.093 20 0 GDADMM O=C(COc1ccc(Br)cc1F)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001571191677 952946683 /nfs/dbraw/zinc/94/66/83/952946683.db2.gz QINSUNYCCFVFFD-UHFFFAOYSA-N -1 1 382.153 1.509 20 0 GDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001571195072 952973441 /nfs/dbraw/zinc/97/34/41/952973441.db2.gz XOZMLCUXMXWEQN-LBPRGKRZSA-N -1 1 382.384 1.187 20 0 GDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001571195072 952973445 /nfs/dbraw/zinc/97/34/45/952973445.db2.gz XOZMLCUXMXWEQN-LBPRGKRZSA-N -1 1 382.384 1.187 20 0 GDADMM O=C(Cc1ccc(F)cc1)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571195744 952979392 /nfs/dbraw/zinc/97/93/92/952979392.db2.gz FOPCQGHZYGUPFN-UHFFFAOYSA-N -1 1 382.403 1.124 20 0 GDADMM O=C(Cc1ccc(F)cc1)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571195744 952979397 /nfs/dbraw/zinc/97/93/97/952979397.db2.gz FOPCQGHZYGUPFN-UHFFFAOYSA-N -1 1 382.403 1.124 20 0 GDADMM Cc1ccc(F)cc1C(=O)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571196333 952980655 /nfs/dbraw/zinc/98/06/55/952980655.db2.gz IZTGOXJUTUZNEL-ZDUSSCGKSA-N -1 1 382.403 1.821 20 0 GDADMM Cc1ccc(F)cc1C(=O)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571196333 952980661 /nfs/dbraw/zinc/98/06/61/952980661.db2.gz IZTGOXJUTUZNEL-ZDUSSCGKSA-N -1 1 382.403 1.821 20 0 GDADMM O=C(CCc1ccc(F)cc1)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571196373 952981064 /nfs/dbraw/zinc/98/10/64/952981064.db2.gz JVNBGPVLWKANGP-UHFFFAOYSA-N -1 1 382.403 1.077 20 0 GDADMM Cc1ccc(F)cc1C(=O)NC1CC(CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571196836 952984958 /nfs/dbraw/zinc/98/49/58/952984958.db2.gz OYCXYEWVEUVZMK-UHFFFAOYSA-N -1 1 382.403 1.725 20 0 GDADMM Cc1ccc(F)cc1C(=O)NC1CC(CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571196836 952984966 /nfs/dbraw/zinc/98/49/66/952984966.db2.gz OYCXYEWVEUVZMK-UHFFFAOYSA-N -1 1 382.403 1.725 20 0 GDADMM Cc1ccc(F)cc1C(=O)N1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571196974 952986492 /nfs/dbraw/zinc/98/64/92/952986492.db2.gz QYSXRSJRTITHQH-LBPRGKRZSA-N -1 1 382.403 1.678 20 0 GDADMM Cc1ccc(F)cc1C(=O)N1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571196974 952986494 /nfs/dbraw/zinc/98/64/94/952986494.db2.gz QYSXRSJRTITHQH-LBPRGKRZSA-N -1 1 382.403 1.678 20 0 GDADMM CC1(C)CN(C(=O)c2cccc(F)c2)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571197120 952986961 /nfs/dbraw/zinc/98/69/61/952986961.db2.gz SIRHIMOTMPQJFZ-AWEZNQCLSA-N -1 1 382.403 1.759 20 0 GDADMM CC1(C)CN(C(=O)c2cccc(F)c2)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571197120 952986965 /nfs/dbraw/zinc/98/69/65/952986965.db2.gz SIRHIMOTMPQJFZ-AWEZNQCLSA-N -1 1 382.403 1.759 20 0 GDADMM Cc1cc(F)cc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@@H]2C)c1 ZINC001571197435 952990087 /nfs/dbraw/zinc/99/00/87/952990087.db2.gz ZVGLYBZJZXANRN-SMDDNHRTSA-N -1 1 382.403 1.241 20 0 GDADMM CCc1occc1C(=O)N[C@@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571198865 952993990 /nfs/dbraw/zinc/99/39/90/952993990.db2.gz HOMVRAQGCIVBBI-NWDGAFQWSA-N -1 1 382.428 1.823 20 0 GDADMM CCc1occc1C(=O)N[C@@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571198865 952993996 /nfs/dbraw/zinc/99/39/96/952993996.db2.gz HOMVRAQGCIVBBI-NWDGAFQWSA-N -1 1 382.428 1.823 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H](C)[C@H](NC(=O)c3ccc(C)o3)C2)n1 ZINC001571199419 952999956 /nfs/dbraw/zinc/99/99/56/952999956.db2.gz QEZHQHFMYRODMB-ZWNOBZJWSA-N -1 1 382.428 1.375 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H](C)[C@H](NC(=O)c3ccc(C)o3)C2)n1 ZINC001571199419 952999960 /nfs/dbraw/zinc/99/99/60/952999960.db2.gz QEZHQHFMYRODMB-ZWNOBZJWSA-N -1 1 382.428 1.375 20 0 GDADMM C[C@@H](C(=O)N1CCC(CNc2cnc(-c3nnn[n-]3)cn2)CC1)c1ccco1 ZINC001571199747 953003806 /nfs/dbraw/zinc/00/38/06/953003806.db2.gz AYKQSPJUAGOVNP-GFCCVEGCSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@@H](C(=O)N1CCC(CNc2cnc(-c3nn[n-]n3)cn2)CC1)c1ccco1 ZINC001571199747 953003807 /nfs/dbraw/zinc/00/38/07/953003807.db2.gz AYKQSPJUAGOVNP-GFCCVEGCSA-N -1 1 382.428 1.704 20 0 GDADMM CCCc1occc1C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571199727 953004514 /nfs/dbraw/zinc/00/45/14/953004514.db2.gz AITISTPEKUTOEC-LBPRGKRZSA-N -1 1 382.428 1.341 20 0 GDADMM O=C(N[C@H]1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC001571199793 953005422 /nfs/dbraw/zinc/00/54/22/953005422.db2.gz CGANHVQVJLKNPU-JSGCOSHPSA-N -1 1 382.403 1.228 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1)c1ccco1 ZINC001571200362 953008349 /nfs/dbraw/zinc/00/83/49/953008349.db2.gz IAPILKLAUHPLLH-CHWSQXEVSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1)c1ccco1 ZINC001571200362 953008352 /nfs/dbraw/zinc/00/83/52/953008352.db2.gz IAPILKLAUHPLLH-CHWSQXEVSA-N -1 1 382.428 1.846 20 0 GDADMM Cc1ccoc1CC(=O)N1CC[C@H]([C@@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571200570 953010510 /nfs/dbraw/zinc/01/05/10/953010510.db2.gz DWRFZZZCQMTGQG-OLZOCXBDSA-N -1 1 382.428 1.450 20 0 GDADMM Cc1ccoc1CC(=O)N1CC[C@H]([C@@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571200570 953010516 /nfs/dbraw/zinc/01/05/16/953010516.db2.gz DWRFZZZCQMTGQG-OLZOCXBDSA-N -1 1 382.428 1.450 20 0 GDADMM Cc1cc(C(=O)N2CCCC[C@@H]2[C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)co1 ZINC001571200586 953010837 /nfs/dbraw/zinc/01/08/37/953010837.db2.gz FEOSPAXRKAQKAM-TZMCWYRMSA-N -1 1 382.428 1.475 20 0 GDADMM CC1(C)CC[C@@H](CNC(=O)c2ccoc2)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571200822 953012415 /nfs/dbraw/zinc/01/24/15/953012415.db2.gz MCYWRYORPYJYEC-ZDUSSCGKSA-N -1 1 382.428 1.675 20 0 GDADMM CC1(C)CC[C@@H](CNC(=O)c2ccoc2)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571200822 953012420 /nfs/dbraw/zinc/01/24/20/953012420.db2.gz MCYWRYORPYJYEC-ZDUSSCGKSA-N -1 1 382.428 1.675 20 0 GDADMM Cc1ccoc1C(=O)N1CCCCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571201957 953022295 /nfs/dbraw/zinc/02/22/95/953022295.db2.gz POOMOGHPIHCUJH-CYBMUJFWSA-N -1 1 382.428 1.477 20 0 GDADMM Cc1cc(C)c(C(=O)NC[C@@H]2CCCCN2c2nccnc2-c2nnn[n-]2)o1 ZINC001571202279 953024272 /nfs/dbraw/zinc/02/42/72/953024272.db2.gz SKEAMYMERXESFP-ZDUSSCGKSA-N -1 1 382.428 1.655 20 0 GDADMM Cc1cc(C)c(C(=O)NC[C@@H]2CCCCN2c2nccnc2-c2nn[n-]n2)o1 ZINC001571202279 953024277 /nfs/dbraw/zinc/02/42/77/953024277.db2.gz SKEAMYMERXESFP-ZDUSSCGKSA-N -1 1 382.428 1.655 20 0 GDADMM Cc1cc(C(=O)NC[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)oc1C ZINC001571202613 953028358 /nfs/dbraw/zinc/02/83/58/953028358.db2.gz VUZDTJVPTAMXPF-CYBMUJFWSA-N -1 1 382.428 1.513 20 0 GDADMM Cc1cc(C(=O)NC[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)oc1C ZINC001571202613 953028361 /nfs/dbraw/zinc/02/83/61/953028361.db2.gz VUZDTJVPTAMXPF-CYBMUJFWSA-N -1 1 382.428 1.513 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CC2(C)C)c(C)o1 ZINC001571202898 953030527 /nfs/dbraw/zinc/03/05/27/953030527.db2.gz ZUXIXIXGRKFWED-CQSZACIVSA-N -1 1 382.428 1.511 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CC2(C)C)c(C)o1 ZINC001571202898 953030531 /nfs/dbraw/zinc/03/05/31/953030531.db2.gz ZUXIXIXGRKFWED-CQSZACIVSA-N -1 1 382.428 1.511 20 0 GDADMM CC(C)n1nccc1C(=O)N1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001571205185 953035878 /nfs/dbraw/zinc/03/58/78/953035878.db2.gz HARCZHSIGSUJIH-VXGBXAGGSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1nccc1C(=O)N1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001571205185 953035883 /nfs/dbraw/zinc/03/58/83/953035883.db2.gz HARCZHSIGSUJIH-VXGBXAGGSA-N -1 1 382.432 1.149 20 0 GDADMM CCc1nc(N[C@@H]2CCCC[C@H]2NC(=O)c2ccn[nH]2)cc(-c2nnn[n-]2)n1 ZINC001571206853 953056069 /nfs/dbraw/zinc/05/60/69/953056069.db2.gz YCHDZGHKVPXCQK-GHMZBOCLSA-N -1 1 382.432 1.095 20 0 GDADMM CCc1nc(N[C@@H]2CCCC[C@H]2NC(=O)c2ccn[nH]2)cc(-c2nn[n-]n2)n1 ZINC001571206853 953056071 /nfs/dbraw/zinc/05/60/71/953056071.db2.gz YCHDZGHKVPXCQK-GHMZBOCLSA-N -1 1 382.432 1.095 20 0 GDADMM Cc1[nH]nc(C(=O)N[C@H]2CC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)c1C ZINC001571207187 953060171 /nfs/dbraw/zinc/06/01/71/953060171.db2.gz OLGLAOOJDQPOMZ-NEPJUHHUSA-N -1 1 382.432 1.007 20 0 GDADMM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1)c1ccsc1 ZINC001571210542 953072001 /nfs/dbraw/zinc/07/20/01/953072001.db2.gz RWODGFRDSRRVRG-DRZSPHRISA-N -1 1 382.453 1.311 20 0 GDADMM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1)c1ccsc1 ZINC001571210542 953072005 /nfs/dbraw/zinc/07/20/05/953072005.db2.gz RWODGFRDSRRVRG-DRZSPHRISA-N -1 1 382.453 1.311 20 0 GDADMM Cc1nn(C(C)C)cc1C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571211505 953077610 /nfs/dbraw/zinc/07/76/10/953077610.db2.gz CBIQCRSSCLSRBY-GFCCVEGCSA-N -1 1 382.432 1.069 20 0 GDADMM Cc1nn(C(C)C)cc1C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571211505 953077614 /nfs/dbraw/zinc/07/76/14/953077614.db2.gz CBIQCRSSCLSRBY-GFCCVEGCSA-N -1 1 382.432 1.069 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1nccnc1-c1nnn[n-]1)C2)C1CC1 ZINC001571211549 953078458 /nfs/dbraw/zinc/07/84/58/953078458.db2.gz BHVREJDAYKTORG-UBHSHLNASA-N -1 1 382.472 1.566 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1nccnc1-c1nn[n-]n1)C2)C1CC1 ZINC001571211549 953078463 /nfs/dbraw/zinc/07/84/63/953078463.db2.gz BHVREJDAYKTORG-UBHSHLNASA-N -1 1 382.472 1.566 20 0 GDADMM CCc1nc(N[C@H]2C[C@H](NC(=O)C3CCC3)C23CCC3)cc(-c2nnn[n-]2)n1 ZINC001571212251 953086433 /nfs/dbraw/zinc/08/64/33/953086433.db2.gz KCVILYQBTWQNCH-KBPBESRZSA-N -1 1 382.472 1.859 20 0 GDADMM CCc1nc(N[C@H]2C[C@H](NC(=O)C3CCC3)C23CCC3)cc(-c2nn[n-]n2)n1 ZINC001571212251 953086435 /nfs/dbraw/zinc/08/64/35/953086435.db2.gz KCVILYQBTWQNCH-KBPBESRZSA-N -1 1 382.472 1.859 20 0 GDADMM C[C@@H]1CN(C(=O)C(C2CC2)C2CC2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571212605 953089816 /nfs/dbraw/zinc/08/98/16/953089816.db2.gz NNJBRADOLWALBK-RISCZKNCSA-N -1 1 382.472 1.599 20 0 GDADMM C[C@@H]1CN(C(=O)C(C2CC2)C2CC2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571212605 953089820 /nfs/dbraw/zinc/08/98/20/953089820.db2.gz NNJBRADOLWALBK-RISCZKNCSA-N -1 1 382.472 1.599 20 0 GDADMM C[C@H]1CC2(CN1C(=O)C1CCC1)CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571214011 953098232 /nfs/dbraw/zinc/09/82/32/953098232.db2.gz VAGSFMCDMKLIPN-ZDUSSCGKSA-N -1 1 382.472 1.664 20 0 GDADMM C[C@H]1CC2(CN1C(=O)C1CCC1)CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001571214011 953098233 /nfs/dbraw/zinc/09/82/33/953098233.db2.gz VAGSFMCDMKLIPN-ZDUSSCGKSA-N -1 1 382.472 1.664 20 0 GDADMM CN(C[C@@H]1CCCN1C(=O)C1=CCCCCC1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571214046 953098667 /nfs/dbraw/zinc/09/86/67/953098667.db2.gz VSENIHVHFPLKGH-HNNXBMFYSA-N -1 1 382.472 1.974 20 0 GDADMM CC1(C)CC[C@@H]1C(=O)N1CC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001571214064 953099645 /nfs/dbraw/zinc/09/96/45/953099645.db2.gz WAXTZWQJKRJUIK-BFUOFWGJSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)CC[C@@H]1C(=O)N1CC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001571214064 953099653 /nfs/dbraw/zinc/09/96/53/953099653.db2.gz WAXTZWQJKRJUIK-BFUOFWGJSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H]1CN(C(=O)C(C2CC2)C2CC2)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571214451 953102591 /nfs/dbraw/zinc/10/25/91/953102591.db2.gz YSYCOAQEHUMGJB-RISCZKNCSA-N -1 1 382.472 1.164 20 0 GDADMM O=C(CC1CCCC1)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571218116 953112914 /nfs/dbraw/zinc/11/29/14/953112914.db2.gz MEGXTFSBYYMSOH-HZPDHXFCSA-N -1 1 382.472 1.807 20 0 GDADMM O=C(CC1CCCC1)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571218116 953112917 /nfs/dbraw/zinc/11/29/17/953112917.db2.gz MEGXTFSBYYMSOH-HZPDHXFCSA-N -1 1 382.472 1.807 20 0 GDADMM O=C(N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2F)C1)c1ncccc1[O-] ZINC001571218309 953114121 /nfs/dbraw/zinc/11/41/21/953114121.db2.gz VVGKKKJPZATWEU-CYBMUJFWSA-N -1 1 383.387 1.111 20 0 GDADMM O=C([C@@H]1C[C@H]1C1CCC1)N1CCC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571218799 953119761 /nfs/dbraw/zinc/11/97/61/953119761.db2.gz RLFFQMABIJSELT-AEGPPILISA-N -1 1 382.472 1.165 20 0 GDADMM O=C(c1ccc(F)cn1)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571218899 953120795 /nfs/dbraw/zinc/12/07/95/953120795.db2.gz GIXPYEXGLBKAFZ-LBPRGKRZSA-N -1 1 383.391 1.298 20 0 GDADMM O=C(c1ccc(F)cn1)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571218899 953120799 /nfs/dbraw/zinc/12/07/99/953120799.db2.gz GIXPYEXGLBKAFZ-LBPRGKRZSA-N -1 1 383.391 1.298 20 0 GDADMM O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nnn[n-]3)cn1)C2)C1CCCCC1 ZINC001571219112 953122228 /nfs/dbraw/zinc/12/22/28/953122228.db2.gz VOFACSUFFZDTMM-QEJZJMRPSA-N -1 1 382.472 1.711 20 0 GDADMM O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nn[n-]n3)cn1)C2)C1CCCCC1 ZINC001571219112 953122230 /nfs/dbraw/zinc/12/22/30/953122230.db2.gz VOFACSUFFZDTMM-QEJZJMRPSA-N -1 1 382.472 1.711 20 0 GDADMM O=C(CCC1CC1)N1CCC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CC[C@@H]21 ZINC001571219060 953122277 /nfs/dbraw/zinc/12/22/77/953122277.db2.gz UCFXIPJFQGBRHC-ZBFHGGJFSA-N -1 1 382.472 1.664 20 0 GDADMM O=C(CCC1CC1)N1CCC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CC[C@@H]21 ZINC001571219060 953122279 /nfs/dbraw/zinc/12/22/79/953122279.db2.gz UCFXIPJFQGBRHC-ZBFHGGJFSA-N -1 1 382.472 1.664 20 0 GDADMM O=C([C@@H]1C[C@@H]2CCCC[C@H]12)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571219121 953123671 /nfs/dbraw/zinc/12/36/71/953123671.db2.gz VVSXVVKYFZRKCL-LJISPDSOSA-N -1 1 382.472 1.886 20 0 GDADMM O=C([C@@H]1C[C@@H]2CCCC[C@H]12)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571219121 953123673 /nfs/dbraw/zinc/12/36/73/953123673.db2.gz VVSXVVKYFZRKCL-LJISPDSOSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(C)C[C@H](NC(=O)c2cnco2)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571222018 953129322 /nfs/dbraw/zinc/12/93/22/953129322.db2.gz ABECKVXSNJFAFC-LLVKDONJSA-N -1 1 383.416 1.070 20 0 GDADMM CC1(C)C[C@H](NC(=O)c2cnco2)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571222018 953129330 /nfs/dbraw/zinc/12/93/30/953129330.db2.gz ABECKVXSNJFAFC-LLVKDONJSA-N -1 1 383.416 1.070 20 0 GDADMM CCc1nc(C(=O)N[C@H]2C[C@H](CNc3nc(C)cc(-c4nnn[n-]4)n3)C2)co1 ZINC001571222300 953133578 /nfs/dbraw/zinc/13/35/78/953133578.db2.gz DMBTUCOGIGSGQB-XYPYZODXSA-N -1 1 383.416 1.136 20 0 GDADMM CCc1nc(C(=O)N[C@H]2C[C@H](CNc3nc(C)cc(-c4nn[n-]n4)n3)C2)co1 ZINC001571222300 953133584 /nfs/dbraw/zinc/13/35/84/953133584.db2.gz DMBTUCOGIGSGQB-XYPYZODXSA-N -1 1 383.416 1.136 20 0 GDADMM CC(C)c1cc(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)[C@H]2C)on1 ZINC001571222852 953139653 /nfs/dbraw/zinc/13/96/53/953139653.db2.gz MCBOUUGCGAHKMX-MNOVXSKESA-N -1 1 383.416 1.483 20 0 GDADMM CC(C)c1cc(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)[C@H]2C)on1 ZINC001571222852 953139657 /nfs/dbraw/zinc/13/96/57/953139657.db2.gz MCBOUUGCGAHKMX-MNOVXSKESA-N -1 1 383.416 1.483 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCCC[C@H]2CNC(=O)c2cocn2)n1 ZINC001571225974 953155188 /nfs/dbraw/zinc/15/51/88/953155188.db2.gz PMMZHOUCQZJXAR-LBPRGKRZSA-N -1 1 383.416 1.132 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCCC[C@H]2CNC(=O)c2cocn2)n1 ZINC001571225974 953155192 /nfs/dbraw/zinc/15/51/92/953155192.db2.gz PMMZHOUCQZJXAR-LBPRGKRZSA-N -1 1 383.416 1.132 20 0 GDADMM Cc1noc(C)c1[C@H](C)C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571226912 953157364 /nfs/dbraw/zinc/15/73/64/953157364.db2.gz WUCSPXVQSVINHE-CABZTGNLSA-N -1 1 383.416 1.078 20 0 GDADMM Cc1noc(C)c1[C@H](C)C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571226912 953157369 /nfs/dbraw/zinc/15/73/69/953157369.db2.gz WUCSPXVQSVINHE-CABZTGNLSA-N -1 1 383.416 1.078 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)[C@@H]2CCCN(C(=O)c3cnco3)C2)n1 ZINC001571227123 953158501 /nfs/dbraw/zinc/15/85/01/953158501.db2.gz ZEZVIGJVCOCRHJ-VXGBXAGGSA-N -1 1 383.416 1.306 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)[C@@H]2CCCN(C(=O)c3cnco3)C2)n1 ZINC001571227123 953158504 /nfs/dbraw/zinc/15/85/04/953158504.db2.gz ZEZVIGJVCOCRHJ-VXGBXAGGSA-N -1 1 383.416 1.306 20 0 GDADMM O=S(=O)(NCc1ccnc(-c2nnn[n-]2)c1)c1ccc(C(F)(F)F)cc1 ZINC001571234844 953206417 /nfs/dbraw/zinc/20/64/17/953206417.db2.gz KGRATAOUUYOVEU-UHFFFAOYSA-N -1 1 384.343 1.759 20 0 GDADMM O=S(=O)(NCc1ccnc(-c2nn[n-]n2)c1)c1ccc(C(F)(F)F)cc1 ZINC001571234844 953206420 /nfs/dbraw/zinc/20/64/20/953206420.db2.gz KGRATAOUUYOVEU-UHFFFAOYSA-N -1 1 384.343 1.759 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001571235129 953209062 /nfs/dbraw/zinc/20/90/62/953209062.db2.gz UOVLYAAAKCSWMG-NXEZZACHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001571235129 953209066 /nfs/dbraw/zinc/20/90/66/953209066.db2.gz UOVLYAAAKCSWMG-NXEZZACHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001571235130 953209281 /nfs/dbraw/zinc/20/92/81/953209281.db2.gz UOVLYAAAKCSWMG-UWVGGRQHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001571235130 953209284 /nfs/dbraw/zinc/20/92/84/953209284.db2.gz UOVLYAAAKCSWMG-UWVGGRQHSA-N -1 1 384.366 1.282 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCCN(C(=O)CC(F)(F)F)C2)n1 ZINC001571235285 953211748 /nfs/dbraw/zinc/21/17/48/953211748.db2.gz ZANHBLMPGSUHRI-JTQLQIEISA-N -1 1 384.366 1.568 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCCN(C(=O)CC(F)(F)F)C2)n1 ZINC001571235285 953211749 /nfs/dbraw/zinc/21/17/49/953211749.db2.gz ZANHBLMPGSUHRI-JTQLQIEISA-N -1 1 384.366 1.568 20 0 GDADMM CCc1ccsc1C(=O)N1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571244607 953265145 /nfs/dbraw/zinc/26/51/45/953265145.db2.gz CDHKFWAYAHDUOU-LBPRGKRZSA-N -1 1 384.469 1.997 20 0 GDADMM CCc1ccsc1C(=O)N1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571244607 953265147 /nfs/dbraw/zinc/26/51/47/953265147.db2.gz CDHKFWAYAHDUOU-LBPRGKRZSA-N -1 1 384.469 1.997 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H](N(C)c3ccc(-c4nnn[n-]4)nn3)C2)sc1C ZINC001571245130 953270404 /nfs/dbraw/zinc/27/04/04/953270404.db2.gz OICGZNSQONGBDU-LBPRGKRZSA-N -1 1 384.469 1.686 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H](N(C)c3ccc(-c4nn[n-]n4)nn3)C2)sc1C ZINC001571245130 953270407 /nfs/dbraw/zinc/27/04/07/953270407.db2.gz OICGZNSQONGBDU-LBPRGKRZSA-N -1 1 384.469 1.686 20 0 GDADMM Cc1cc(C)c(C(=O)N2CCCN(c3ccnc(-c4nn[n-]n4)n3)CC2)s1 ZINC001571245178 953270842 /nfs/dbraw/zinc/27/08/42/953270842.db2.gz OXKDJFHOYVZMET-UHFFFAOYSA-N -1 1 384.469 1.688 20 0 GDADMM Cc1cc(C)c(C(=O)N2CC[C@H](N(C)c3nccnc3-c3nnn[n-]3)C2)s1 ZINC001571245514 953274552 /nfs/dbraw/zinc/27/45/52/953274552.db2.gz TUYMLWLYCLOPRB-LBPRGKRZSA-N -1 1 384.469 1.686 20 0 GDADMM Cc1cc(C)c(C(=O)N2CC[C@H](N(C)c3nccnc3-c3nn[n-]n3)C2)s1 ZINC001571245514 953274555 /nfs/dbraw/zinc/27/45/55/953274555.db2.gz TUYMLWLYCLOPRB-LBPRGKRZSA-N -1 1 384.469 1.686 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)c2ccsc2)CCN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001571245531 953274742 /nfs/dbraw/zinc/27/47/42/953274742.db2.gz UPZHKPNVIPOFMK-GXTWGEPZSA-N -1 1 384.469 1.814 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)c2ccsc2)CCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001571245531 953274746 /nfs/dbraw/zinc/27/47/46/953274746.db2.gz UPZHKPNVIPOFMK-GXTWGEPZSA-N -1 1 384.469 1.814 20 0 GDADMM CCc1ccsc1C(=O)N(C)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571245743 953276141 /nfs/dbraw/zinc/27/61/41/953276141.db2.gz YPDZGRDMKLOYSM-LBPRGKRZSA-N -1 1 384.469 1.632 20 0 GDADMM CCc1ccsc1C(=O)N(C)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571245743 953276143 /nfs/dbraw/zinc/27/61/43/953276143.db2.gz YPDZGRDMKLOYSM-LBPRGKRZSA-N -1 1 384.469 1.632 20 0 GDADMM Cc1sccc1C(=O)N1CC[C@H]([C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571248294 953291479 /nfs/dbraw/zinc/29/14/79/953291479.db2.gz PSEXMHSPHQHJCU-PWSUYJOCSA-N -1 1 384.469 1.411 20 0 GDADMM Cc1nsc(N2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccn(C)c2)c1-c1nn[n-]n1 ZINC001571248500 953294642 /nfs/dbraw/zinc/29/46/42/953294642.db2.gz VXAYBSXTLHALQR-BETUJISGSA-N -1 1 384.469 1.464 20 0 GDADMM CC1(C)C(C(=O)N[C@H]2CC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)C1(C)C ZINC001571249156 953301884 /nfs/dbraw/zinc/30/18/84/953301884.db2.gz FACMJMRSMLOEMG-NEPJUHHUSA-N -1 1 384.488 1.458 20 0 GDADMM CC1(C)CCC(C(=O)NC[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001571250222 953309445 /nfs/dbraw/zinc/30/94/45/953309445.db2.gz OPJVJQHKCPZYRE-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C)CCC(C(=O)NC[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571250222 953309448 /nfs/dbraw/zinc/30/94/48/953309448.db2.gz OPJVJQHKCPZYRE-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM CC[C@@H]1CCC[C@]1(C)C(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571250275 953310661 /nfs/dbraw/zinc/31/06/61/953310661.db2.gz PVHLLBLHAYVSAH-YJYMSZOUSA-N -1 1 384.488 1.698 20 0 GDADMM O=C(NCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C1CCCCCC1 ZINC001571252275 953326829 /nfs/dbraw/zinc/32/68/29/953326829.db2.gz JNGJTFZATVNIMG-UHFFFAOYSA-N -1 1 384.488 1.960 20 0 GDADMM O=C(NCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C1CCCCCC1 ZINC001571252275 953326832 /nfs/dbraw/zinc/32/68/32/953326832.db2.gz JNGJTFZATVNIMG-UHFFFAOYSA-N -1 1 384.488 1.960 20 0 GDADMM CN(c1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)CC(C)(C)C2CC2)C1 ZINC001571252658 953331996 /nfs/dbraw/zinc/33/19/96/953331996.db2.gz SPPFKQZVWAMJLW-CQSZACIVSA-N -1 1 384.488 1.910 20 0 GDADMM CN(C[C@H]1CCCN(C(=O)CC2CCCC2)C1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571252748 953332797 /nfs/dbraw/zinc/33/27/97/953332797.db2.gz VQDJHIFZJUPZTE-OAHLLOKOSA-N -1 1 384.488 1.912 20 0 GDADMM CN(C[C@H]1CCCN(C(=O)CC2CCCC2)C1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571252748 953332800 /nfs/dbraw/zinc/33/28/00/953332800.db2.gz VQDJHIFZJUPZTE-OAHLLOKOSA-N -1 1 384.488 1.912 20 0 GDADMM Cc1ccc(Cl)cc1C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571255479 953349575 /nfs/dbraw/zinc/34/95/75/953349575.db2.gz LKRKTWFSPUDJSI-TXEJJXNPSA-N -1 1 384.831 1.991 20 0 GDADMM Cc1ccc(Cl)cc1C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571255479 953349578 /nfs/dbraw/zinc/34/95/78/953349578.db2.gz LKRKTWFSPUDJSI-TXEJJXNPSA-N -1 1 384.831 1.991 20 0 GDADMM O=C([O-])c1ccccc1NC(=O)C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000422615403 953426825 /nfs/dbraw/zinc/42/68/25/953426825.db2.gz JMBWVOURJDZFQN-GFCCVEGCSA-N -1 1 383.408 1.725 20 0 GDADMM O=C([O-])CC[C@@H]1CCCCN1CC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000424262519 953442112 /nfs/dbraw/zinc/44/21/12/953442112.db2.gz QNPXINLDQPDXMA-LBPRGKRZSA-N -1 1 376.392 1.459 20 0 GDADMM Cc1c(Cl)cccc1NC(=O)CNC(=O)CN1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000571881232 953665744 /nfs/dbraw/zinc/66/57/44/953665744.db2.gz NDIZDFRSSHWBFO-YPMHNXCESA-N -1 1 381.860 1.746 20 0 GDADMM O=C([O-])[C@]1(NC(=O)Nc2cc(F)cc(CNC(=O)C(F)(F)F)c2)CCOC1 ZINC001594801719 953742123 /nfs/dbraw/zinc/74/21/23/953742123.db2.gz IDJVDBXHFYPEQU-AWEZNQCLSA-N -1 1 393.293 1.369 20 0 GDADMM CN(C)C[C@H](NC(=O)c1cn(CC(=O)[O-])nn1)c1cccc(C(F)(F)F)c1 ZINC001593695924 954074791 /nfs/dbraw/zinc/07/47/91/954074791.db2.gz VUVGRGUBRIXVQZ-LBPRGKRZSA-N -1 1 385.346 1.414 20 0 GDADMM CC(C)[C@H](CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O)C(=O)[O-] ZINC001602983219 972004750 /nfs/dbraw/zinc/00/47/50/972004750.db2.gz JLGKFWPJEDZIBD-AWEZNQCLSA-N -1 1 384.454 1.263 20 0 GDADMM CN(CCNC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O)Cc1ccc(F)cc1 ZINC001593750816 954406665 /nfs/dbraw/zinc/40/66/65/954406665.db2.gz IAPWABBKRDHLMW-INIZCTEOSA-N -1 1 394.447 1.022 20 0 GDADMM 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COC(=O)c1ncsc1S(=O)(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000275066091 532260695 /nfs/dbraw/zinc/26/06/95/532260695.db2.gz VPRSIDCCMOUAFM-VHSXEESVSA-N -1 1 376.456 1.632 20 0 GDADMM Cc1n[nH]cc1S(=O)(=O)Nc1ccc(N2CCSCC2)cc1C(=O)[O-] ZINC000275094858 532264346 /nfs/dbraw/zinc/26/43/46/532264346.db2.gz PQYHOHXMFJOODG-UHFFFAOYSA-N -1 1 382.467 1.770 20 0 GDADMM Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)cc1Br ZINC000275219164 532278269 /nfs/dbraw/zinc/27/82/69/532278269.db2.gz DCLYFZDBKFQGJL-UHFFFAOYSA-N -1 1 391.287 1.539 20 0 GDADMM Cc1cc(=O)n(C)cc1NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000432184839 532278953 /nfs/dbraw/zinc/27/89/53/532278953.db2.gz IFLGSLKGNFTFRW-UHFFFAOYSA-N -1 1 389.430 1.005 20 0 GDADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H]2COC)c(OC)c1 ZINC000432276725 532282034 /nfs/dbraw/zinc/28/20/34/532282034.db2.gz ZPZNKUGLAGNLIG-ZDUSSCGKSA-N -1 1 392.499 1.256 20 0 GDADMM CN(C1CC(C)(C)C1)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccccn1 ZINC000349452724 532287201 /nfs/dbraw/zinc/28/72/01/532287201.db2.gz DIUWFEYDDZBXOH-UHFFFAOYSA-N -1 1 375.516 1.664 20 0 GDADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 ZINC000392900113 532300144 /nfs/dbraw/zinc/30/01/44/532300144.db2.gz RYPACLRNIATWNS-HNNXBMFYSA-N -1 1 383.447 1.283 20 0 GDADMM CS(=O)(=O)C1(CNC(=O)c2ccc(I)c([O-])c2)CC1 ZINC000393798346 532301355 /nfs/dbraw/zinc/30/13/55/532301355.db2.gz PLDQESUZXVYCHZ-UHFFFAOYSA-N -1 1 395.218 1.304 20 0 GDADMM CC1(CC(F)F)CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccccn2)C1 ZINC000349457088 532289833 /nfs/dbraw/zinc/28/98/33/532289833.db2.gz DDUAKYRMTBRMLK-UHFFFAOYSA-N -1 1 397.469 1.520 20 0 GDADMM C[C@@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000289453746 532325156 /nfs/dbraw/zinc/32/51/56/532325156.db2.gz FHZDRTZYAPZUMV-HTQZYQBOSA-N -1 1 381.426 1.246 20 0 GDADMM CC(C)[C@@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000289475161 532325340 /nfs/dbraw/zinc/32/53/40/532325340.db2.gz HQVQLUAVZWPFLL-GZMMTYOYSA-N -1 1 395.453 1.540 20 0 GDADMM O=C(CN1CCCC[C@H]1c1nc(=O)[n-][nH]1)Nc1ccc(Br)cn1 ZINC000289287655 532320879 /nfs/dbraw/zinc/32/08/79/532320879.db2.gz GWBZUBGRKGMHSF-JTQLQIEISA-N -1 1 381.234 1.421 20 0 GDADMM CCOCc1nc([C@H](C)[N-]S(=O)(=O)c2cncc(Br)c2)no1 ZINC000289407936 532323102 /nfs/dbraw/zinc/32/31/02/532323102.db2.gz ARHAAFPWDCKQKN-QMMMGPOBSA-N -1 1 391.247 1.803 20 0 GDADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NC[C@H]1CCCOC1 ZINC000289523388 532326772 /nfs/dbraw/zinc/32/67/72/532326772.db2.gz IUZGNFSIYFMPLK-SNVBAGLBSA-N -1 1 381.281 1.815 20 0 GDADMM Cc1onc(N)c1S(=O)(=O)[N-]Cc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000289952594 532334580 /nfs/dbraw/zinc/33/45/80/532334580.db2.gz SNFYAJPAYMLOJR-UHFFFAOYSA-N -1 1 379.847 1.101 20 0 GDADMM COC(=O)c1ccncc1[N-]S(=O)(=O)c1cccc(Cl)c1-c1nn[nH]n1 ZINC000736956705 598823470 /nfs/dbraw/zinc/82/34/70/598823470.db2.gz IKGFJBGWHCUGNC-UHFFFAOYSA-N -1 1 394.800 1.503 20 0 GDADMM O=C(Cn1cccnc1=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000737988204 598847614 /nfs/dbraw/zinc/84/76/14/598847614.db2.gz ITINSZPPSGLPDE-UHFFFAOYSA-N -1 1 393.432 1.468 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCCOCCn1cccn1 ZINC000737547127 598857558 /nfs/dbraw/zinc/85/75/58/598857558.db2.gz HBTQGWRYCUNDFA-UHFFFAOYSA-N -1 1 397.395 1.629 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCCOCCn1cccn1 ZINC000737547127 598857560 /nfs/dbraw/zinc/85/75/60/598857560.db2.gz HBTQGWRYCUNDFA-UHFFFAOYSA-N -1 1 397.395 1.629 20 0 GDADMM COc1cc(-c2noc(CCc3c(C)[nH]c(=O)c(-c4nn[n-]n4)c3C)n2)ccn1 ZINC000737031394 598890631 /nfs/dbraw/zinc/89/06/31/598890631.db2.gz BDMWLZWBJYGRPN-UHFFFAOYSA-N -1 1 394.395 1.823 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000737548353 598913006 /nfs/dbraw/zinc/91/30/06/598913006.db2.gz OUIJZOGMTXLBCJ-LBPRGKRZSA-N -1 1 378.396 1.569 20 0 GDADMM CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)cc1 ZINC000735458301 598948378 /nfs/dbraw/zinc/94/83/78/598948378.db2.gz KGVIGPMVEPBHCP-UHFFFAOYSA-N -1 1 386.437 1.959 20 0 GDADMM CCCC(=O)NC[C@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000736418054 598964806 /nfs/dbraw/zinc/96/48/06/598964806.db2.gz YIIGKCUXKDMCCO-CYBMUJFWSA-N -1 1 380.456 1.943 20 0 GDADMM CCCC(=O)NC[C@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000736418054 598964809 /nfs/dbraw/zinc/96/48/09/598964809.db2.gz YIIGKCUXKDMCCO-CYBMUJFWSA-N -1 1 380.456 1.943 20 0 GDADMM CC(C)c1nc2n(n1)C[C@@H](Nc1c3ccccc3nnc1-c1nnn[n-]1)CC2 ZINC000735942246 598966340 /nfs/dbraw/zinc/96/63/40/598966340.db2.gz GFDRSNWBVUNMHM-NSHDSACASA-N -1 1 376.428 1.952 20 0 GDADMM CC(C)c1nc2n(n1)C[C@@H](Nc1c3ccccc3nnc1-c1nn[n-]n1)CC2 ZINC000735942246 598966341 /nfs/dbraw/zinc/96/63/41/598966341.db2.gz GFDRSNWBVUNMHM-NSHDSACASA-N -1 1 376.428 1.952 20 0 GDADMM CN(C[C@@H]1CCCN1c1cccnn1)c1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736794279 598967329 /nfs/dbraw/zinc/96/73/29/598967329.db2.gz PBTCZXKSIUELAS-ZDUSSCGKSA-N -1 1 388.439 1.705 20 0 GDADMM CN(C[C@@H]1CCCN1c1cccnn1)c1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736794279 598967330 /nfs/dbraw/zinc/96/73/30/598967330.db2.gz PBTCZXKSIUELAS-ZDUSSCGKSA-N -1 1 388.439 1.705 20 0 GDADMM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cccc1-c1nn[nH]n1 ZINC000822130869 607256088 /nfs/dbraw/zinc/25/60/88/607256088.db2.gz ZTCUIOMDTOSZJG-UHFFFAOYSA-N -1 1 386.393 1.421 20 0 GDADMM CC[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1cc(F)ccc1F ZINC000736369835 598975471 /nfs/dbraw/zinc/97/54/71/598975471.db2.gz NUJUNOJJXFFMOA-LLVKDONJSA-N -1 1 377.355 1.106 20 0 GDADMM O=C(NC[C@H](c1cccs1)N1CCOCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738038886 598982855 /nfs/dbraw/zinc/98/28/55/598982855.db2.gz KLHRPULBGCTDRE-CQSZACIVSA-N -1 1 385.453 1.127 20 0 GDADMM O=C(NC[C@H](c1cccs1)N1CCOCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738038886 598982856 /nfs/dbraw/zinc/98/28/56/598982856.db2.gz KLHRPULBGCTDRE-CQSZACIVSA-N -1 1 385.453 1.127 20 0 GDADMM O=C(N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000737999008 598995919 /nfs/dbraw/zinc/99/59/19/598995919.db2.gz QFWZJFZSXDXRRE-QGZVFWFLSA-N -1 1 378.392 1.914 20 0 GDADMM O=C(N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000737999008 598995921 /nfs/dbraw/zinc/99/59/21/598995921.db2.gz QFWZJFZSXDXRRE-QGZVFWFLSA-N -1 1 378.392 1.914 20 0 GDADMM O=C(N[C@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000737994867 599001068 /nfs/dbraw/zinc/00/10/68/599001068.db2.gz HQFMGEYKLIMWBT-QGZVFWFLSA-N -1 1 391.435 1.225 20 0 GDADMM O=C(N[C@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000737994867 599001070 /nfs/dbraw/zinc/00/10/70/599001070.db2.gz HQFMGEYKLIMWBT-QGZVFWFLSA-N -1 1 391.435 1.225 20 0 GDADMM O=C(N[C@H]1CCN(c2ccccc2Cl)C1=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738035502 599006504 /nfs/dbraw/zinc/00/65/04/599006504.db2.gz LVMIVPWIINDVAL-ZDUSSCGKSA-N -1 1 383.799 1.450 20 0 GDADMM O=C(N[C@H]1CCN(c2ccccc2Cl)C1=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738035502 599006506 /nfs/dbraw/zinc/00/65/06/599006506.db2.gz LVMIVPWIINDVAL-ZDUSSCGKSA-N -1 1 383.799 1.450 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1)C(=O)OC(C)(C)C ZINC000736790417 599029891 /nfs/dbraw/zinc/02/98/91/599029891.db2.gz HUUUUUOGUXNNBQ-LBPRGKRZSA-N -1 1 387.444 1.591 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1)C(=O)OC(C)(C)C ZINC000736790417 599029893 /nfs/dbraw/zinc/02/98/93/599029893.db2.gz HUUUUUOGUXNNBQ-LBPRGKRZSA-N -1 1 387.444 1.591 20 0 GDADMM CN(C(=O)c1ccc(-c2nnn[n-]2)nc1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000736750168 599037757 /nfs/dbraw/zinc/03/77/57/599037757.db2.gz UPVOUKUUYSUGOK-INIZCTEOSA-N -1 1 377.408 1.529 20 0 GDADMM CN(C(=O)c1ccc(-c2nn[n-]n2)nc1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000736750168 599037760 /nfs/dbraw/zinc/03/77/60/599037760.db2.gz UPVOUKUUYSUGOK-INIZCTEOSA-N -1 1 377.408 1.529 20 0 GDADMM C[C@H]1CN=C(N2CCN(c3c4ccccc4nnc3-c3nnn[n-]3)CC2)S1 ZINC000820803982 599046107 /nfs/dbraw/zinc/04/61/07/599046107.db2.gz KQYBSRYRXHTEMU-NSHDSACASA-N -1 1 381.469 1.423 20 0 GDADMM C[C@H]1CN=C(N2CCN(c3c4ccccc4nnc3-c3nn[n-]n3)CC2)S1 ZINC000820803982 599046109 /nfs/dbraw/zinc/04/61/09/599046109.db2.gz KQYBSRYRXHTEMU-NSHDSACASA-N -1 1 381.469 1.423 20 0 GDADMM Cc1cc(N2CC[C@H](Sc3nc(C)nc(C)c3-c3nn[n-]n3)C2=O)n(C)n1 ZINC000822207154 599125871 /nfs/dbraw/zinc/12/58/71/599125871.db2.gz MQDLUHNBBGZPIY-NSHDSACASA-N -1 1 385.457 1.213 20 0 GDADMM CCc1nn(Cc2nnc(-c3cccc(F)c3)o2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705946 599166314 /nfs/dbraw/zinc/16/63/14/599166314.db2.gz DMLQRVKFNSERLV-UHFFFAOYSA-N -1 1 396.386 1.786 20 0 GDADMM CNC(=O)CNC(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000736875137 599195644 /nfs/dbraw/zinc/19/56/44/599195644.db2.gz UGFOKGYLKUIXGD-UHFFFAOYSA-N -1 1 386.799 1.788 20 0 GDADMM CN(CCC(=O)[O-])CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000262656928 596997391 /nfs/dbraw/zinc/99/73/91/596997391.db2.gz MRACFJXJIZPDGL-UHFFFAOYSA-N -1 1 389.374 1.887 20 0 GDADMM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)[C@H](c2ccccc2)CO1 ZINC000820767659 599234968 /nfs/dbraw/zinc/23/49/68/599234968.db2.gz JKDZALLNHRDEKH-LRDDRELGSA-N -1 1 386.437 1.412 20 0 GDADMM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)[C@H](c2ccccc2)CO1 ZINC000820767659 599234969 /nfs/dbraw/zinc/23/49/69/599234969.db2.gz JKDZALLNHRDEKH-LRDDRELGSA-N -1 1 386.437 1.412 20 0 GDADMM CN(C)S(=O)(=O)c1cccc(NC(=O)CN2CCC[C@H](CC(=O)[O-])C2)c1 ZINC000532712870 597069451 /nfs/dbraw/zinc/06/94/51/597069451.db2.gz ZKTBKVFRCYKEOC-CYBMUJFWSA-N -1 1 383.470 1.062 20 0 GDADMM O=C([O-])[C@H]1CCN(C(=O)C(=O)Nc2ccccc2CN2CCSCC2)C1 ZINC000819219620 597523276 /nfs/dbraw/zinc/52/32/76/597523276.db2.gz MZIBUGWRRXSAMV-AWEZNQCLSA-N -1 1 377.466 1.107 20 0 GDADMM CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2CC[C@H](C(=O)[O-])C2)c1 ZINC000262668546 597534530 /nfs/dbraw/zinc/53/45/30/597534530.db2.gz QLUXOEWTVUHFAP-ZDUSSCGKSA-N -1 1 383.470 1.062 20 0 GDADMM C[C@H]([C@@H]1Cc2ccccc2O1)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820220074 607333173 /nfs/dbraw/zinc/33/31/73/607333173.db2.gz MUIIGIQUWRPGJB-BZNIZROVSA-N -1 1 386.437 1.274 20 0 GDADMM C[C@H]([C@@H]1Cc2ccccc2O1)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820220074 607333174 /nfs/dbraw/zinc/33/31/74/607333174.db2.gz MUIIGIQUWRPGJB-BZNIZROVSA-N -1 1 386.437 1.274 20 0 GDADMM CCOC(=O)Nc1cccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736602714 598259574 /nfs/dbraw/zinc/25/95/74/598259574.db2.gz LTQVFYUYFKWVSH-UHFFFAOYSA-N -1 1 390.381 1.598 20 0 GDADMM CCOC(=O)Nc1cccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736602714 598259575 /nfs/dbraw/zinc/25/95/75/598259575.db2.gz LTQVFYUYFKWVSH-UHFFFAOYSA-N -1 1 390.381 1.598 20 0 GDADMM Cc1cccc(CN2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)c1 ZINC000737394213 598260976 /nfs/dbraw/zinc/26/09/76/598260976.db2.gz PSIYNHRFJOGQDG-UHFFFAOYSA-N -1 1 399.480 1.077 20 0 GDADMM Cc1cccc(CN2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)c1 ZINC000737394213 598260979 /nfs/dbraw/zinc/26/09/79/598260979.db2.gz PSIYNHRFJOGQDG-UHFFFAOYSA-N -1 1 399.480 1.077 20 0 GDADMM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(OC(F)F)cc1 ZINC000736129806 598261973 /nfs/dbraw/zinc/26/19/73/598261973.db2.gz IHIAAWGVBMWAMR-VIFPVBQESA-N -1 1 396.379 1.903 20 0 GDADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(OC(F)F)cc1 ZINC000736129806 598261975 /nfs/dbraw/zinc/26/19/75/598261975.db2.gz IHIAAWGVBMWAMR-VIFPVBQESA-N -1 1 396.379 1.903 20 0 GDADMM C[C@H](c1cc(F)ccc1F)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736197727 598266713 /nfs/dbraw/zinc/26/67/13/598266713.db2.gz OKSRKSZWMPMEPE-SECBINFHSA-N -1 1 380.380 1.922 20 0 GDADMM C[C@H](c1cc(F)ccc1F)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736197727 598266714 /nfs/dbraw/zinc/26/67/14/598266714.db2.gz OKSRKSZWMPMEPE-SECBINFHSA-N -1 1 380.380 1.922 20 0 GDADMM COc1ccc(CCCN(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737087221 598267709 /nfs/dbraw/zinc/26/77/09/598267709.db2.gz FBMAZQFGYRHAGT-UHFFFAOYSA-N -1 1 388.453 1.524 20 0 GDADMM COc1ccc(CCCN(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737087221 598267711 /nfs/dbraw/zinc/26/77/11/598267711.db2.gz FBMAZQFGYRHAGT-UHFFFAOYSA-N -1 1 388.453 1.524 20 0 GDADMM C[C@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)COCc1ccccc1 ZINC000736027172 598268377 /nfs/dbraw/zinc/26/83/77/598268377.db2.gz YWPUUKQHFLOJQT-CYBMUJFWSA-N -1 1 388.453 1.393 20 0 GDADMM C[C@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)COCc1ccccc1 ZINC000736027172 598268378 /nfs/dbraw/zinc/26/83/78/598268378.db2.gz YWPUUKQHFLOJQT-CYBMUJFWSA-N -1 1 388.453 1.393 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000738353872 598269353 /nfs/dbraw/zinc/26/93/53/598269353.db2.gz HTCXCINKJJQWIM-CYBMUJFWSA-N -1 1 390.425 1.225 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000738353872 598269354 /nfs/dbraw/zinc/26/93/54/598269354.db2.gz HTCXCINKJJQWIM-CYBMUJFWSA-N -1 1 390.425 1.225 20 0 GDADMM O=S(=O)(N[C@@H]1CCc2c1cccc2Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000738342956 598269375 /nfs/dbraw/zinc/26/93/75/598269375.db2.gz NUHMUVCJPFWPKD-CYBMUJFWSA-N -1 1 376.829 1.881 20 0 GDADMM O=S(=O)(N[C@@H]1CCc2c1cccc2Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000738342956 598269376 /nfs/dbraw/zinc/26/93/76/598269376.db2.gz NUHMUVCJPFWPKD-CYBMUJFWSA-N -1 1 376.829 1.881 20 0 GDADMM O=S(=O)(NCCCc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738340251 598272366 /nfs/dbraw/zinc/27/23/66/598272366.db2.gz YAFOVZCIBGIYGN-UHFFFAOYSA-N -1 1 378.845 1.826 20 0 GDADMM O=S(=O)(NCCCc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738340251 598272368 /nfs/dbraw/zinc/27/23/68/598272368.db2.gz YAFOVZCIBGIYGN-UHFFFAOYSA-N -1 1 378.845 1.826 20 0 GDADMM CC(C)(C)c1nc(-c2nn[n-]n2)c(NNC(=S)NCCc2ccccn2)o1 ZINC000735657921 598295814 /nfs/dbraw/zinc/29/58/14/598295814.db2.gz YDANPCUZFKOZKS-UHFFFAOYSA-N -1 1 387.473 1.581 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)O[C@@H](C)C(=O)NC(C)(C)C ZINC000737199527 598307407 /nfs/dbraw/zinc/30/74/07/598307407.db2.gz HOKKPWHCGUWTLN-NSHDSACASA-N -1 1 390.444 1.363 20 0 GDADMM COC(=O)COc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1Cl ZINC000821662741 607351417 /nfs/dbraw/zinc/35/14/17/607351417.db2.gz QQAZKAKESIKIHH-UHFFFAOYSA-N -1 1 388.771 1.719 20 0 GDADMM COC(=O)COc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1Cl ZINC000821662741 607351418 /nfs/dbraw/zinc/35/14/18/607351418.db2.gz QQAZKAKESIKIHH-UHFFFAOYSA-N -1 1 388.771 1.719 20 0 GDADMM O=C(NCCc1cccs1)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000738089039 598349834 /nfs/dbraw/zinc/34/98/34/598349834.db2.gz SQYXKGZFEWNNKC-UHFFFAOYSA-N -1 1 384.469 1.294 20 0 GDADMM O=C(NCCc1cccs1)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000738089039 598349837 /nfs/dbraw/zinc/34/98/37/598349837.db2.gz SQYXKGZFEWNNKC-UHFFFAOYSA-N -1 1 384.469 1.294 20 0 GDADMM CCc1nn(Cc2noc(-c3ccsc3)n2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736707186 598378234 /nfs/dbraw/zinc/37/82/34/598378234.db2.gz QHMUVFGAJUKMDW-UHFFFAOYSA-N -1 1 384.425 1.708 20 0 GDADMM CCc1nn(CC(=O)N(c2ccccc2)C(C)C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706626 598378685 /nfs/dbraw/zinc/37/86/85/598378685.db2.gz YDMLBZQAOSOXRA-UHFFFAOYSA-N -1 1 395.467 1.990 20 0 GDADMM COC(=O)c1ccc2c(c1)CN(CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)C2 ZINC000736947178 598404979 /nfs/dbraw/zinc/40/49/79/598404979.db2.gz CUBNYUYMYTZLJG-UHFFFAOYSA-N -1 1 396.407 1.817 20 0 GDADMM CC/C=C(/C)C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000736412752 598407755 /nfs/dbraw/zinc/40/77/55/598407755.db2.gz UPICJGDUNYJSMB-GHXNOFRVSA-N -1 1 381.396 1.890 20 0 GDADMM CC/C=C(/C)C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736412752 598407756 /nfs/dbraw/zinc/40/77/56/598407756.db2.gz UPICJGDUNYJSMB-GHXNOFRVSA-N -1 1 381.396 1.890 20 0 GDADMM CO[C@H](C)c1cccc(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000736962577 598412689 /nfs/dbraw/zinc/41/26/89/598412689.db2.gz PAPKBYGGAFSRNO-SNVBAGLBSA-N -1 1 385.432 1.634 20 0 GDADMM CO[C@H](C)c1cccc(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000736962577 598412690 /nfs/dbraw/zinc/41/26/90/598412690.db2.gz PAPKBYGGAFSRNO-SNVBAGLBSA-N -1 1 385.432 1.634 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCc1nnc(C2CC2)n1C ZINC000737546777 598425659 /nfs/dbraw/zinc/42/56/59/598425659.db2.gz FYPOKZHTGVDDKR-UHFFFAOYSA-N -1 1 394.395 1.922 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCc1nnc(C2CC2)n1C ZINC000737546777 598425662 /nfs/dbraw/zinc/42/56/62/598425662.db2.gz FYPOKZHTGVDDKR-UHFFFAOYSA-N -1 1 394.395 1.922 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCO[C@@H](c2ccccc2F)C1 ZINC000738354655 598465282 /nfs/dbraw/zinc/46/52/82/598465282.db2.gz JANJBSQRADZCHK-OAHLLOKOSA-N -1 1 390.400 1.163 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCO[C@@H](c2ccccc2F)C1 ZINC000738354655 598465285 /nfs/dbraw/zinc/46/52/85/598465285.db2.gz JANJBSQRADZCHK-OAHLLOKOSA-N -1 1 390.400 1.163 20 0 GDADMM C[C@@H]1C[C@H]1NC(=O)C1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000736241311 598500933 /nfs/dbraw/zinc/50/09/33/598500933.db2.gz WWHSHKXNJPTVER-ZYHUDNBSSA-N -1 1 383.412 1.856 20 0 GDADMM Cc1nn(C)cc1[C@@H](C)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000737509210 598502675 /nfs/dbraw/zinc/50/26/75/598502675.db2.gz ACUVVJCWSDVRMW-LLVKDONJSA-N -1 1 384.444 1.436 20 0 GDADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)NCc1ccccc1F ZINC000737983501 598504907 /nfs/dbraw/zinc/50/49/07/598504907.db2.gz WRHSQMCXZMOFDS-UHFFFAOYSA-N -1 1 378.367 1.637 20 0 GDADMM COCCN(Cc1cccnc1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737006331 598540903 /nfs/dbraw/zinc/54/09/03/598540903.db2.gz GBFRTZAVTNCTBT-UHFFFAOYSA-N -1 1 392.416 1.238 20 0 GDADMM COc1ccccc1C(=O)N1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000737137311 598572948 /nfs/dbraw/zinc/57/29/48/598572948.db2.gz FENZZHPABUHHMZ-UHFFFAOYSA-N -1 1 399.842 1.886 20 0 GDADMM COc1ccccc1C(=O)N1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000737137311 598572950 /nfs/dbraw/zinc/57/29/50/598572950.db2.gz FENZZHPABUHHMZ-UHFFFAOYSA-N -1 1 399.842 1.886 20 0 GDADMM COCCCNC(=O)C1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000736988057 598576102 /nfs/dbraw/zinc/57/61/02/598576102.db2.gz ZRHQNIHQIWWLME-UHFFFAOYSA-N -1 1 379.852 1.284 20 0 GDADMM COCCCNC(=O)C1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000736988057 598576103 /nfs/dbraw/zinc/57/61/03/598576103.db2.gz ZRHQNIHQIWWLME-UHFFFAOYSA-N -1 1 379.852 1.284 20 0 GDADMM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3ccc(F)c(-c4nn[nH]n4)c3)cc12 ZINC000737509963 598593631 /nfs/dbraw/zinc/59/36/31/598593631.db2.gz DVVFSMTYGWYUMB-UHFFFAOYSA-N -1 1 388.388 1.397 20 0 GDADMM Cc1oc(NC(=O)COC(=O)c2n[nH]c3c2CCCC3)c(-c2nn[n-]n2)c1C ZINC000737552430 598598336 /nfs/dbraw/zinc/59/83/36/598598336.db2.gz QCNNXTCPWVRKOK-UHFFFAOYSA-N -1 1 385.384 1.474 20 0 GDADMM CCc1nc(CN2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)no1 ZINC000736704491 598621618 /nfs/dbraw/zinc/62/16/18/598621618.db2.gz PJRZYKKDZJDMNU-UHFFFAOYSA-N -1 1 397.399 1.382 20 0 GDADMM CCN(CC)C(=O)[C@@H]1CCCN1CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000821169838 607364511 /nfs/dbraw/zinc/36/45/11/607364511.db2.gz FSQFTTGOWIFBET-ZDUSSCGKSA-N -1 1 389.460 1.348 20 0 GDADMM COc1ccc(C=O)c(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737082365 598690308 /nfs/dbraw/zinc/69/03/08/598690308.db2.gz ISCIIDKFEURMSN-UHFFFAOYSA-N -1 1 378.341 1.595 20 0 GDADMM CNC(=O)[C@H]1CCCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)C1 ZINC000736869049 598694070 /nfs/dbraw/zinc/69/40/70/598694070.db2.gz ARVKJLQJRUPWBM-LBPRGKRZSA-N -1 1 383.412 1.157 20 0 GDADMM CNC(=O)[C@H]1CCCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)C1 ZINC000736869049 598694071 /nfs/dbraw/zinc/69/40/71/598694071.db2.gz ARVKJLQJRUPWBM-LBPRGKRZSA-N -1 1 383.412 1.157 20 0 GDADMM O=C(Cc1cccnc1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000737975276 598719643 /nfs/dbraw/zinc/71/96/43/598719643.db2.gz XPEMLPXDIIAGNR-UHFFFAOYSA-N -1 1 380.412 1.018 20 0 GDADMM CCN(C)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Br)ccc21 ZINC000736509733 598722353 /nfs/dbraw/zinc/72/23/53/598722353.db2.gz KMDGMAOLPIWYPH-UHFFFAOYSA-N -1 1 391.229 1.422 20 0 GDADMM O=S(=O)(NC1(c2ccc(Cl)cc2)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738328053 598758578 /nfs/dbraw/zinc/75/85/78/598758578.db2.gz BVKMXVAJTLBWNZ-UHFFFAOYSA-N -1 1 376.829 1.883 20 0 GDADMM O=S(=O)(NC1(c2ccc(Cl)cc2)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738328053 598758580 /nfs/dbraw/zinc/75/85/80/598758580.db2.gz BVKMXVAJTLBWNZ-UHFFFAOYSA-N -1 1 376.829 1.883 20 0 GDADMM CCCCC[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccccc1 ZINC000736440713 598816409 /nfs/dbraw/zinc/81/64/09/598816409.db2.gz FUXQJQHGJKMJRH-AWEZNQCLSA-N -1 1 383.456 1.998 20 0 GDADMM Nc1n[nH]c(CCCNC(=O)Nc2c(F)cc(F)cc2F)c1-c1nnn[n-]1 ZINC000822907447 599298533 /nfs/dbraw/zinc/29/85/33/599298533.db2.gz MZPWNFWYKBRFGT-UHFFFAOYSA-N -1 1 381.322 1.344 20 0 GDADMM Nc1n[nH]c(CCCNC(=O)Nc2c(F)cc(F)cc2F)c1-c1nn[n-]n1 ZINC000822907447 599298535 /nfs/dbraw/zinc/29/85/35/599298535.db2.gz MZPWNFWYKBRFGT-UHFFFAOYSA-N -1 1 381.322 1.344 20 0 GDADMM NC(=O)CCNC(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000822868586 599316151 /nfs/dbraw/zinc/31/61/51/599316151.db2.gz FJVABANPUJLUEF-UHFFFAOYSA-N -1 1 386.799 1.918 20 0 GDADMM CN(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821592873 599336248 /nfs/dbraw/zinc/33/62/48/599336248.db2.gz ZNLBPWRZBSZPNQ-UHFFFAOYSA-N -1 1 386.865 1.055 20 0 GDADMM CC(=O)c1cnc(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)s1 ZINC000735505878 599341698 /nfs/dbraw/zinc/34/16/98/599341698.db2.gz WYCYETWBDHFROU-UHFFFAOYSA-N -1 1 387.425 1.815 20 0 GDADMM CSCCCCNC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000737181937 599378789 /nfs/dbraw/zinc/37/87/89/599378789.db2.gz LRFZFKQDWWYCQA-UHFFFAOYSA-N -1 1 388.501 1.718 20 0 GDADMM CSCCCCNC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000737181937 599378793 /nfs/dbraw/zinc/37/87/93/599378793.db2.gz LRFZFKQDWWYCQA-UHFFFAOYSA-N -1 1 388.501 1.718 20 0 GDADMM COC(=O)c1ccc(OCCn2cccc(-c3nn[n-]n3)c2=O)c(Cl)c1 ZINC000821669426 599384248 /nfs/dbraw/zinc/38/42/48/599384248.db2.gz LHPRKDPBUOSDAO-UHFFFAOYSA-N -1 1 375.772 1.547 20 0 GDADMM C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000735560247 599411128 /nfs/dbraw/zinc/41/11/28/599411128.db2.gz CQKRPGDFDHHWHS-CYBMUJFWSA-N -1 1 396.430 1.550 20 0 GDADMM C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000735560247 599411129 /nfs/dbraw/zinc/41/11/29/599411129.db2.gz CQKRPGDFDHHWHS-CYBMUJFWSA-N -1 1 396.430 1.550 20 0 GDADMM O=S(=O)(Oc1cccc(-n2cncn2)c1)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738337838 599481395 /nfs/dbraw/zinc/48/13/95/599481395.db2.gz AFVXRWBZFGZGRD-UHFFFAOYSA-N -1 1 387.356 1.354 20 0 GDADMM CCOc1ccnc(N2CCN(c3snc(Cl)c3-c3nnn[n-]3)CC2)n1 ZINC000821437620 599536336 /nfs/dbraw/zinc/53/63/36/599536336.db2.gz QDVCTEGAGIZFLA-UHFFFAOYSA-N -1 1 393.864 1.492 20 0 GDADMM CCOc1ccnc(N2CCN(c3snc(Cl)c3-c3nn[n-]n3)CC2)n1 ZINC000821437620 599536338 /nfs/dbraw/zinc/53/63/38/599536338.db2.gz QDVCTEGAGIZFLA-UHFFFAOYSA-N -1 1 393.864 1.492 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000737548925 599575530 /nfs/dbraw/zinc/57/55/30/599575530.db2.gz QRKCHNSUSSDERX-NWDGAFQWSA-N -1 1 383.412 1.333 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000737548925 599575533 /nfs/dbraw/zinc/57/55/33/599575533.db2.gz QRKCHNSUSSDERX-NWDGAFQWSA-N -1 1 383.412 1.333 20 0 GDADMM CCN(CCOC)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000736536464 599593662 /nfs/dbraw/zinc/59/36/62/599593662.db2.gz JRXFXMHUYAIEOT-UHFFFAOYSA-N -1 1 379.364 1.543 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CCn3c(C)c(C)nc3C2)cc1-c1nn[n-]n1 ZINC000737186955 599604607 /nfs/dbraw/zinc/60/46/07/599604607.db2.gz MIHBJQQIOGVLDV-UHFFFAOYSA-N -1 1 386.441 1.159 20 0 GDADMM CCN1C[C@@H](COC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)CC1=O ZINC000736565727 599617634 /nfs/dbraw/zinc/61/76/34/599617634.db2.gz OVHFPWURILFPJN-LBPRGKRZSA-N -1 1 384.396 1.584 20 0 GDADMM CCN1C[C@@H](COC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)CC1=O ZINC000736565727 599617636 /nfs/dbraw/zinc/61/76/36/599617636.db2.gz OVHFPWURILFPJN-LBPRGKRZSA-N -1 1 384.396 1.584 20 0 GDADMM CC[C@H]1Oc2cc([C@@H](C)NC(=O)c3ccc(-c4nnn[n-]4)nc3)ccc2NC1=O ZINC000821001197 599655264 /nfs/dbraw/zinc/65/52/64/599655264.db2.gz PTEWLWKJRJNAGB-MEBBXXQBSA-N -1 1 393.407 1.862 20 0 GDADMM CC[C@H]1Oc2cc([C@@H](C)NC(=O)c3ccc(-c4nn[n-]n4)nc3)ccc2NC1=O ZINC000821001197 599655265 /nfs/dbraw/zinc/65/52/65/599655265.db2.gz PTEWLWKJRJNAGB-MEBBXXQBSA-N -1 1 393.407 1.862 20 0 GDADMM C[C@@H]1CN(CCCNC(=O)C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)C[C@@H](C)O1 ZINC000736809510 599722392 /nfs/dbraw/zinc/72/23/92/599722392.db2.gz LNYRPKUZZCZWHS-VXGBXAGGSA-N -1 1 396.419 1.470 20 0 GDADMM COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccnc2N(C)C)c1 ZINC000737654199 599883460 /nfs/dbraw/zinc/88/34/60/599883460.db2.gz MVNISDOCVUEXRJ-UHFFFAOYSA-N -1 1 379.394 1.433 20 0 GDADMM Cc1cncc(C=CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1 ZINC000822399360 607404589 /nfs/dbraw/zinc/40/45/89/607404589.db2.gz DTKDMZOKTUEPRJ-XGACYXMMSA-N -1 1 391.439 1.111 20 0 GDADMM Cc1cncc(C=CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1 ZINC000822399360 607404591 /nfs/dbraw/zinc/40/45/91/607404591.db2.gz DTKDMZOKTUEPRJ-XGACYXMMSA-N -1 1 391.439 1.111 20 0 GDADMM COc1ccnc(N2CCN(C(=O)C(=O)Nc3cccc(C(=O)[O-])c3)CC2)c1 ZINC000647479074 599906678 /nfs/dbraw/zinc/90/66/78/599906678.db2.gz OURXBHVMDRRNCZ-UHFFFAOYSA-N -1 1 384.392 1.076 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@@H](N(C(=O)c2ccc(-c3nnn[n-]3)nc2)C2CC2)C1 ZINC000819933246 607406217 /nfs/dbraw/zinc/40/62/17/607406217.db2.gz KYBRIVXHWSFVKS-CQSZACIVSA-N -1 1 399.455 1.876 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@@H](N(C(=O)c2ccc(-c3nn[n-]n3)nc2)C2CC2)C1 ZINC000819933246 607406218 /nfs/dbraw/zinc/40/62/18/607406218.db2.gz KYBRIVXHWSFVKS-CQSZACIVSA-N -1 1 399.455 1.876 20 0 GDADMM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000736201704 599956116 /nfs/dbraw/zinc/95/61/16/599956116.db2.gz WSFQNJYVOVNZHI-ZBFHGGJFSA-N -1 1 375.473 1.089 20 0 GDADMM Cc1cccc(O[C@H]2CCCC[C@@H]2NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000822328499 607409784 /nfs/dbraw/zinc/40/97/84/607409784.db2.gz RENYVVUYIARHOK-GJZGRUSLSA-N -1 1 382.428 1.273 20 0 GDADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736650814 600103576 /nfs/dbraw/zinc/10/35/76/600103576.db2.gz QLVKRPTUWAMBJM-NSHDSACASA-N -1 1 378.388 1.922 20 0 GDADMM O=C([O-])c1cccc(NC(=O)CN[C@@H](CN2CCOCC2)c2ccccc2)c1 ZINC000739307265 600120180 /nfs/dbraw/zinc/12/01/80/600120180.db2.gz LFOSUTIBBLFJMG-IBGZPJMESA-N -1 1 383.448 1.986 20 0 GDADMM COC(=O)c1sc2[n-]c(C[NH2+]C3(C(=O)[O-])CCCCC3)nc(=O)c2c1C ZINC000737723885 600148334 /nfs/dbraw/zinc/14/83/34/600148334.db2.gz QWVKFPPXGLMOFW-UHFFFAOYSA-N -1 1 379.438 1.957 20 0 GDADMM CCOC(=O)C1C(COC(=O)[C@@H]2C[C@@H]2C(=O)[O-])=NC(=O)N[C@@H]1c1ccccc1 ZINC000737135264 600170687 /nfs/dbraw/zinc/17/06/87/600170687.db2.gz VXSJATYHCRRDTD-YWPYICTPSA-N -1 1 388.376 1.122 20 0 GDADMM CS(=O)(=O)c1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)ccc1F ZINC000738168772 600177396 /nfs/dbraw/zinc/17/73/96/600177396.db2.gz XQTZVGVIDJXPCU-UHFFFAOYSA-N -1 1 389.382 1.434 20 0 GDADMM COC(=O)c1c(C)[nH]nc1S(=O)(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000737648687 600230487 /nfs/dbraw/zinc/23/04/87/600230487.db2.gz GDFUPLYAFCXBFC-UHFFFAOYSA-N -1 1 375.309 1.282 20 0 GDADMM CN1CCN(c2ccccc2NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)CC1 ZINC000737530295 600244001 /nfs/dbraw/zinc/24/40/01/600244001.db2.gz RTNZBZXWMMFMKX-UHFFFAOYSA-N -1 1 389.477 1.866 20 0 GDADMM CCN(C[C@H]1COc2ccccc2O1)C(=O)CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000737093235 600295535 /nfs/dbraw/zinc/29/55/35/600295535.db2.gz DEMOLEIWZZSQDR-JKSUJKDBSA-N -1 1 388.464 1.862 20 0 GDADMM Cc1cc(C(=O)[O-])ccc1N1C(=O)C[C@H]([NH+]2CCC3(C[C@H]3C(=O)[O-])CC2)C1=O ZINC000738344645 600314863 /nfs/dbraw/zinc/31/48/63/600314863.db2.gz CVANGCSBHWPKKM-ZFWWWQNUSA-N -1 1 386.404 1.512 20 0 GDADMM CC[C@H]1CN(C(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)CCN1CCOC ZINC000736939537 600334397 /nfs/dbraw/zinc/33/43/97/600334397.db2.gz OOJRZPNHRQOVKE-INIZCTEOSA-N -1 1 392.456 1.076 20 0 GDADMM CN(CCNC(=O)C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)Cc1ccccc1 ZINC000737442078 600366628 /nfs/dbraw/zinc/36/66/28/600366628.db2.gz BOLJJAZRRMEIDH-UHFFFAOYSA-N -1 1 398.463 1.983 20 0 GDADMM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)CCNC(=O)c1n[nH]c2ccccc21 ZINC000739717748 600500517 /nfs/dbraw/zinc/50/05/17/600500517.db2.gz VLGBQWJTFQOTCI-CYBMUJFWSA-N -1 1 388.424 1.165 20 0 GDADMM CCn1cc(CN2CCCN(c3cc(C)nc4nc(C(=O)[O-])nn43)CC2)cn1 ZINC000737301000 600539264 /nfs/dbraw/zinc/53/92/64/600539264.db2.gz KXBUJKJVVJYTJR-UHFFFAOYSA-N -1 1 384.444 1.060 20 0 GDADMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000738544215 600553109 /nfs/dbraw/zinc/55/31/09/600553109.db2.gz ZVYBUIQEGIZTRT-INIZCTEOSA-N -1 1 382.482 1.615 20 0 GDADMM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000736216038 600554619 /nfs/dbraw/zinc/55/46/19/600554619.db2.gz TVXORNGJMROGOF-QAPCUYQASA-N -1 1 387.480 1.724 20 0 GDADMM COc1ccc(CN2CCN(C(=O)CNC3(C(=O)[O-])CCCC3)CC2)cc1 ZINC000532712634 600557283 /nfs/dbraw/zinc/55/72/83/600557283.db2.gz GQVWIAZGTJDEQV-UHFFFAOYSA-N -1 1 375.469 1.326 20 0 GDADMM Cc1oc(NC(=O)CN(C)[C@H](C)C(=O)OC(C)(C)C)c(-c2nn[n-]n2)c1C ZINC000822540703 607454601 /nfs/dbraw/zinc/45/46/01/607454601.db2.gz FOGUXMWFTAPMHG-SNVBAGLBSA-N -1 1 378.433 1.677 20 0 GDADMM CCCc1c(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)[nH]c(C)c1C(=O)[O-] ZINC000737040711 600622169 /nfs/dbraw/zinc/62/21/69/600622169.db2.gz MWBDQUKBQVTBOU-HNNXBMFYSA-N -1 1 392.500 1.110 20 0 GDADMM CN(C)C[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000737359308 600648722 /nfs/dbraw/zinc/64/87/22/600648722.db2.gz BSQQWXOSRJJOSP-QGZVFWFLSA-N -1 1 376.478 1.765 20 0 GDADMM COc1ccnc(N2CCN(S(=O)(=O)c3ccc(CC(=O)[O-])cc3)CC2)c1 ZINC000738143563 600650487 /nfs/dbraw/zinc/65/04/87/600650487.db2.gz QOOSBPAJUSUSKO-UHFFFAOYSA-N -1 1 391.449 1.228 20 0 GDADMM CCN(CC)C(=O)COc1cccc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000299593834 600673690 /nfs/dbraw/zinc/67/36/90/600673690.db2.gz LIBBQOUNDWKMPE-UHFFFAOYSA-N -1 1 395.437 1.761 20 0 GDADMM Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000738671040 600686611 /nfs/dbraw/zinc/68/66/11/600686611.db2.gz PTZCXWXNDUDZDK-DOTOQJQBSA-N -1 1 390.465 1.273 20 0 GDADMM C[C@@H]1CN(CC(=O)N2CCC(C(=O)[O-])CC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000736805446 600714992 /nfs/dbraw/zinc/71/49/92/600714992.db2.gz DDLPWZQZPFGOCX-HIFRSBDPSA-N -1 1 383.489 1.545 20 0 GDADMM COCCN1CCC[C@H]1CNS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000831744801 600737565 /nfs/dbraw/zinc/73/75/65/600737565.db2.gz LXNLFLUSPKRUMF-ZDUSSCGKSA-N -1 1 376.862 1.427 20 0 GDADMM C[C@H](c1ccccc1)N1CCC(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)CC1 ZINC000827948266 600751679 /nfs/dbraw/zinc/75/16/79/600751679.db2.gz BQSAGJYRCUJNKK-CQSZACIVSA-N -1 1 392.481 1.472 20 0 GDADMM CCCc1nc([C@H]2CN(S(=O)(=O)c3ccc(C(=O)[O-])cc3C)CCO2)n[nH]1 ZINC000829571406 600788553 /nfs/dbraw/zinc/78/85/53/600788553.db2.gz RBOFWUJWGZUHPE-CYBMUJFWSA-N -1 1 394.453 1.526 20 0 GDADMM CCCc1n[nH]c([C@H]2CN(S(=O)(=O)c3ccc(C(=O)[O-])cc3C)CCO2)n1 ZINC000829571406 600788554 /nfs/dbraw/zinc/78/85/54/600788554.db2.gz RBOFWUJWGZUHPE-CYBMUJFWSA-N -1 1 394.453 1.526 20 0 GDADMM CCCc1nc([C@@H]2CN(S(=O)(=O)c3cccc(C(=O)[O-])c3)CCO2)n[nH]1 ZINC000829570103 600788590 /nfs/dbraw/zinc/78/85/90/600788590.db2.gz AOILHWDLMDCRQJ-ZDUSSCGKSA-N -1 1 380.426 1.218 20 0 GDADMM CCCc1n[nH]c([C@@H]2CN(S(=O)(=O)c3cccc(C(=O)[O-])c3)CCO2)n1 ZINC000829570103 600788591 /nfs/dbraw/zinc/78/85/91/600788591.db2.gz AOILHWDLMDCRQJ-ZDUSSCGKSA-N -1 1 380.426 1.218 20 0 GDADMM Cc1nc([C@@H]2CN([C@H]3CCN(c4sccc4C(=O)[O-])C3=O)CCO2)n[nH]1 ZINC000832990801 600799815 /nfs/dbraw/zinc/79/98/15/600799815.db2.gz HXUCAVQAPHDALE-RYUDHWBXSA-N -1 1 377.426 1.052 20 0 GDADMM Cc1ccc(C(=O)NC2CC2)cc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000298870032 600811793 /nfs/dbraw/zinc/81/17/93/600811793.db2.gz TUAMMISCCGNCPV-UHFFFAOYSA-N -1 1 377.422 1.725 20 0 GDADMM CC(C)C[C@@H](CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O)C(=O)[O-] ZINC000826779918 600831399 /nfs/dbraw/zinc/83/13/99/600831399.db2.gz UDLZJZVCZUZXSB-ZDUSSCGKSA-N -1 1 398.481 1.653 20 0 GDADMM CC(C)C[C@@H](NC(=O)CN1CCO[C@H](c2nc(C(C)(C)C)n[nH]2)C1)C(=O)[O-] ZINC000826787349 600841288 /nfs/dbraw/zinc/84/12/88/600841288.db2.gz SCMWRAJBKDMVKN-OLZOCXBDSA-N -1 1 381.477 1.091 20 0 GDADMM CC(C)C[C@@H](NC(=O)CN1CCO[C@H](c2nnc(C(C)(C)C)[nH]2)C1)C(=O)[O-] ZINC000826787349 600841291 /nfs/dbraw/zinc/84/12/91/600841291.db2.gz SCMWRAJBKDMVKN-OLZOCXBDSA-N -1 1 381.477 1.091 20 0 GDADMM CCCc1nc([C@@H]2CN(CC(=O)Nc3ccsc3C(=O)[O-])CCO2)n[nH]1 ZINC000829570158 600841955 /nfs/dbraw/zinc/84/19/55/600841955.db2.gz CKELNHSZPKMFEF-NSHDSACASA-N -1 1 379.442 1.529 20 0 GDADMM CCCc1n[nH]c([C@@H]2CN(CC(=O)Nc3ccsc3C(=O)[O-])CCO2)n1 ZINC000829570158 600841956 /nfs/dbraw/zinc/84/19/56/600841956.db2.gz CKELNHSZPKMFEF-NSHDSACASA-N -1 1 379.442 1.529 20 0 GDADMM COC(=O)[C@H]1CCCN(CC2=C(C(=O)[O-])[C@H](c3ccccc3)NC(=O)N2C)C1 ZINC000737583583 600843178 /nfs/dbraw/zinc/84/31/78/600843178.db2.gz HTVPNJBLJOFPCL-YOEHRIQHSA-N -1 1 387.436 1.606 20 0 GDADMM CC[C@H](C)[C@H](NC(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1)C(=O)[O-] ZINC000261707865 600869520 /nfs/dbraw/zinc/86/95/20/600869520.db2.gz JSEQAXTVTKHHCG-ZANVPECISA-N -1 1 388.442 1.304 20 0 GDADMM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCN1CCN(c2ccccn2)CC1 ZINC000248535978 600895778 /nfs/dbraw/zinc/89/57/78/600895778.db2.gz KTRMVJISCGIVCD-BZSNNMDCSA-N -1 1 386.496 1.838 20 0 GDADMM Cc1nnc([C@@H]2CN(C(=O)c3ccccc3S[C@@H](C)C(=O)[O-])CCO2)[nH]1 ZINC000832990477 600920645 /nfs/dbraw/zinc/92/06/45/600920645.db2.gz BFGLJRWLJYRSIU-GWCFXTLKSA-N -1 1 376.438 1.892 20 0 GDADMM CN(C(=O)CCN1CCN(c2ccccn2)CC1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000830472264 600960896 /nfs/dbraw/zinc/96/08/96/600960896.db2.gz QMYTVLKLJMRHTR-HXUWFJFHSA-N -1 1 382.464 1.878 20 0 GDADMM Cc1nc([C@H]2CN(CC(=O)Nc3sc4c(c3C(=O)[O-])CCC4)CCO2)n[nH]1 ZINC000832991864 601028645 /nfs/dbraw/zinc/02/86/45/601028645.db2.gz RDUDPYARTLRRSY-LLVKDONJSA-N -1 1 391.453 1.374 20 0 GDADMM C[C@@H](CN(CN1CC2(CN(C(=O)OC(C)(C)C)C2)CC1=O)C1CC1)C(=O)[O-] ZINC000827449928 601054468 /nfs/dbraw/zinc/05/44/68/601054468.db2.gz RAUSALJAHWVBBG-ZDUSSCGKSA-N -1 1 381.473 1.598 20 0 GDADMM Cc1nn(C)c2nc(C)c(CC(=O)N3CCN([C@@H](C)CC(=O)[O-])CC3)c(C)c12 ZINC000833006187 601090630 /nfs/dbraw/zinc/09/06/30/601090630.db2.gz WJNFPNHBMKBODT-LBPRGKRZSA-N -1 1 387.484 1.443 20 0 GDADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000827356110 601091504 /nfs/dbraw/zinc/09/15/04/601091504.db2.gz OXIMBDWFTXCBIE-LSDHHAIUSA-N -1 1 383.489 1.783 20 0 GDADMM Cc1cc(C)cc(N2CC[C@H](C(=O)N3CCN([C@H](C)CC(=O)[O-])CC3)C2=O)c1 ZINC000832876485 601092386 /nfs/dbraw/zinc/09/23/86/601092386.db2.gz KTPZWSAXWNJUPF-SJLPKXTDSA-N -1 1 387.480 1.664 20 0 GDADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Cn2cnc3c4ccccc4oc3c2=O)CC1 ZINC000827369361 601093633 /nfs/dbraw/zinc/09/36/33/601093633.db2.gz WIJPDIZVELYLIZ-ZDUSSCGKSA-N -1 1 398.419 1.150 20 0 GDADMM CC(C)[C@@H](NC(=O)c1cccs1)C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000630223641 601095762 /nfs/dbraw/zinc/09/57/62/601095762.db2.gz KDCZRQHBVPZFOF-XJKSGUPXSA-N -1 1 381.498 1.510 20 0 GDADMM COc1ccc(C)cc1-n1ccc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)n1 ZINC000630224091 601100116 /nfs/dbraw/zinc/10/01/16/601100116.db2.gz NWGYGWUYFSRQMB-HNNXBMFYSA-N -1 1 386.452 1.810 20 0 GDADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)CC1 ZINC000827379713 601101129 /nfs/dbraw/zinc/10/11/29/601101129.db2.gz 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Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000740161769 602539563 /nfs/dbraw/zinc/53/95/63/602539563.db2.gz GMRYJEILGGSGDU-HOTGVXAUSA-N -1 1 390.484 1.678 20 0 GDADMM C[C@@H](CNC(=O)[O-])N(C)CC(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000738939709 602556539 /nfs/dbraw/zinc/55/65/39/602556539.db2.gz ORSYEEFSEKQGNL-AWEZNQCLSA-N -1 1 380.514 1.762 20 0 GDADMM CN(C)[C@@H](CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)c1ccco1 ZINC000825849362 607576542 /nfs/dbraw/zinc/57/65/42/607576542.db2.gz KSDFNRLSSNNSPN-NSHDSACASA-N -1 1 396.860 1.694 20 0 GDADMM COCc1ccccc1CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826165331 607584116 /nfs/dbraw/zinc/58/41/16/607584116.db2.gz PCJRXIWUAICORH-UHFFFAOYSA-N -1 1 377.401 1.631 20 0 GDADMM NC(=O)c1cccc(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000826394049 607584225 /nfs/dbraw/zinc/58/42/25/607584225.db2.gz UTZICJDBFFZMSM-UHFFFAOYSA-N -1 1 392.828 1.098 20 0 GDADMM NC(=O)c1cccc(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000826394049 607584226 /nfs/dbraw/zinc/58/42/26/607584226.db2.gz UTZICJDBFFZMSM-UHFFFAOYSA-N -1 1 392.828 1.098 20 0 GDADMM C[C@@H]1CN(CC(=O)N2CCN(c3ccc(F)cc3)CC2)CC[C@@H]1NC(=O)[O-] ZINC000739171785 602781594 /nfs/dbraw/zinc/78/15/94/602781594.db2.gz JIGQDXMUQZYBEN-PBHICJAKSA-N -1 1 378.448 1.452 20 0 GDADMM Cn1ncc2c1CCC[C@H]2NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826366490 607585799 /nfs/dbraw/zinc/58/57/99/607585799.db2.gz KNTAGQPCNNGFBC-LLVKDONJSA-N -1 1 393.860 1.610 20 0 GDADMM Cn1ncc2c1CCC[C@H]2NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826366490 607585800 /nfs/dbraw/zinc/58/58/00/607585800.db2.gz KNTAGQPCNNGFBC-LLVKDONJSA-N -1 1 393.860 1.610 20 0 GDADMM COc1ccc(CCNC(=O)CN2CC[C@H](NC(=O)[O-])[C@@H](C)C2)cc1OC ZINC000739898559 602800214 /nfs/dbraw/zinc/80/02/14/602800214.db2.gz VKLVXDSNHQFYRE-ZFWWWQNUSA-N -1 1 379.457 1.341 20 0 GDADMM O=C([O-])N(CC(=O)N1CCC(CCN2CCOCC2)CC1)C[C@H]1CCCO1 ZINC000740492088 602872469 /nfs/dbraw/zinc/87/24/69/602872469.db2.gz PFABAXRZEIDKTK-QGZVFWFLSA-N -1 1 383.489 1.106 20 0 GDADMM C[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)C(=O)NC(C)(C)C ZINC000824641643 607596974 /nfs/dbraw/zinc/59/69/74/607596974.db2.gz YDNSBAAUVBIRQN-MRVPVSSYSA-N -1 1 386.865 1.102 20 0 GDADMM C[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)C(=O)NC(C)(C)C ZINC000824641643 607596976 /nfs/dbraw/zinc/59/69/76/607596976.db2.gz YDNSBAAUVBIRQN-MRVPVSSYSA-N -1 1 386.865 1.102 20 0 GDADMM O=C([O-])NC[C@@H](C(=O)N1CCN(CC2CCOCC2)CC1)c1ccccc1 ZINC000832402679 602967446 /nfs/dbraw/zinc/96/74/46/602967446.db2.gz KVLYIXGGPMEJPY-GOSISDBHSA-N -1 1 375.469 1.609 20 0 GDADMM CCOC(=O)CCN(C1CC1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825512052 607598853 /nfs/dbraw/zinc/59/88/53/607598853.db2.gz QYBYNRBAMAUHLD-UHFFFAOYSA-N -1 1 399.860 1.626 20 0 GDADMM O=S(=O)(N[C@H]1C[C@@H]1c1cccc(F)c1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826488431 607599495 /nfs/dbraw/zinc/59/94/95/607599495.db2.gz PJWJZCXLWTUMQO-OCCSQVGLSA-N -1 1 377.376 1.979 20 0 GDADMM CC(C)(C)CC(=O)NCC(=O)Nc1ccc(-c2nc(CNC(=O)[O-])n[nH]2)cc1 ZINC000738683541 603057284 /nfs/dbraw/zinc/05/72/84/603057284.db2.gz VTVVVJVMLCDMFN-UHFFFAOYSA-N -1 1 388.428 1.730 20 0 GDADMM CC(C)(C)CC(=O)NCC(=O)Nc1ccc(-c2n[nH]c(CNC(=O)[O-])n2)cc1 ZINC000738683541 603057287 /nfs/dbraw/zinc/05/72/87/603057287.db2.gz VTVVVJVMLCDMFN-UHFFFAOYSA-N -1 1 388.428 1.730 20 0 GDADMM Cc1nc(C(C)(C)NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)no1 ZINC000826323624 607603749 /nfs/dbraw/zinc/60/37/49/607603749.db2.gz LIGFTBWKICULPK-UHFFFAOYSA-N -1 1 383.821 1.425 20 0 GDADMM Cc1nc([C@@H]2CN(C(=O)c3cccn3C3CCN(C(=O)[O-])CC3)CCO2)n[nH]1 ZINC000830677045 603077031 /nfs/dbraw/zinc/07/70/31/603077031.db2.gz CIPWENKRFZWHAH-HNNXBMFYSA-N -1 1 388.428 1.443 20 0 GDADMM CN(C[C@@H]1CCCN(C(=O)c2cccc(CN3CCN(C)CC3)c2)C1)C(=O)[O-] ZINC000739736963 603090979 /nfs/dbraw/zinc/09/09/79/603090979.db2.gz TUBOQBBWQCZJHY-SFHVURJKSA-N -1 1 388.512 1.896 20 0 GDADMM CN1CCN(C[C@H](NC(=O)N[C@@H](CNC(=O)[O-])C2CC2)c2ccccc2)CC1 ZINC000739737800 603096300 /nfs/dbraw/zinc/09/63/00/603096300.db2.gz SGKSKDHBGSCDQJ-ROUUACIJSA-N -1 1 389.500 1.321 20 0 GDADMM CC(C)CN1CCO[C@H](CNC(=O)C2(NC(=O)[O-])Cc3ccccc3C2)C1 ZINC000738826512 603108870 /nfs/dbraw/zinc/10/88/70/603108870.db2.gz YCLPGLPJJWBFLA-QGZVFWFLSA-N -1 1 375.469 1.265 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cccc(CN2CCOCC2)c1 ZINC000826467164 607609885 /nfs/dbraw/zinc/60/98/85/607609885.db2.gz JSDNVKGDACGOOX-UHFFFAOYSA-N -1 1 380.408 1.451 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cccc(CN2CCOCC2)c1 ZINC000826467164 607609887 /nfs/dbraw/zinc/60/98/87/607609887.db2.gz JSDNVKGDACGOOX-UHFFFAOYSA-N -1 1 380.408 1.451 20 0 GDADMM O=S(=O)(N[C@@H]1CCOc2ccc(F)cc21)c1cccc(F)c1-c1nnn[n-]1 ZINC000826489375 607612371 /nfs/dbraw/zinc/61/23/71/607612371.db2.gz NUCDOXCNZQUVTN-GFCCVEGCSA-N -1 1 393.375 1.947 20 0 GDADMM O=S(=O)(N[C@@H]1CCOc2ccc(F)cc21)c1cccc(F)c1-c1nn[n-]n1 ZINC000826489375 607612373 /nfs/dbraw/zinc/61/23/73/607612373.db2.gz NUCDOXCNZQUVTN-GFCCVEGCSA-N -1 1 393.375 1.947 20 0 GDADMM CN1CCN(C[C@H](NC(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)c2ccccc2)CC1 ZINC000739736558 603193639 /nfs/dbraw/zinc/19/36/39/603193639.db2.gz FSHAULUPHDRXLR-OTWHNJEPSA-N -1 1 388.512 1.918 20 0 GDADMM Cc1cnn([C@@H]2CCCN(S(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)C2)c1 ZINC000826319623 607613575 /nfs/dbraw/zinc/61/35/75/607613575.db2.gz KVNVKYOLGBHKMH-GFCCVEGCSA-N -1 1 391.432 1.537 20 0 GDADMM Cc1cnn([C@@H]2CCCN(S(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)C2)c1 ZINC000826319623 607613576 /nfs/dbraw/zinc/61/35/76/607613576.db2.gz KVNVKYOLGBHKMH-GFCCVEGCSA-N -1 1 391.432 1.537 20 0 GDADMM CC1(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)COC1 ZINC000824824690 607614699 /nfs/dbraw/zinc/61/46/99/607614699.db2.gz WXGFUFJUBWBFKR-UHFFFAOYSA-N -1 1 377.348 1.200 20 0 GDADMM CN(CC(=O)NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1)C(=O)[O-] ZINC000737528280 603221594 /nfs/dbraw/zinc/22/15/94/603221594.db2.gz BWZSLKYRORPYMI-UHFFFAOYSA-N -1 1 388.390 1.683 20 0 GDADMM C[C@H](NC(=O)[C@@H]1CCN(C(=O)[O-])C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000738963365 603239671 /nfs/dbraw/zinc/23/96/71/603239671.db2.gz VUCMQXSLYVZWKQ-UONOGXRCSA-N -1 1 378.448 1.755 20 0 GDADMM O=C(Nc1ccccc1OS(=O)(=O)c1ccccc1-c1nn[n-]n1)C1CC1 ZINC000826457653 607617449 /nfs/dbraw/zinc/61/74/49/607617449.db2.gz KNZQMMUBKLZMJZ-UHFFFAOYSA-N -1 1 385.405 1.983 20 0 GDADMM O=C([O-])NCc1ccc(C(=O)NCCCN2CCN(c3ccccc3)CC2)o1 ZINC000832697749 603319788 /nfs/dbraw/zinc/31/97/88/603319788.db2.gz LSHIRXFBWURDTD-UHFFFAOYSA-N -1 1 386.452 1.989 20 0 GDADMM O=S(=O)(c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)N1CCC[C@@H](CO)C1 ZINC000826494410 607623147 /nfs/dbraw/zinc/62/31/47/607623147.db2.gz AUKJUXDBPVPSNF-SECBINFHSA-N -1 1 391.375 1.279 20 0 GDADMM O=S(=O)(NC[C@H](O)c1cccc(Cl)c1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826489098 607625021 /nfs/dbraw/zinc/62/50/21/607625021.db2.gz HMDLCMVGMSFTEN-LBPRGKRZSA-N -1 1 397.819 1.671 20 0 GDADMM O=S(=O)(NC[C@H](O)c1cccc(Cl)c1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826489098 607625023 /nfs/dbraw/zinc/62/50/23/607625023.db2.gz HMDLCMVGMSFTEN-LBPRGKRZSA-N -1 1 397.819 1.671 20 0 GDADMM COc1cc2c(cc1OC)CN(C(=O)CN1CC[C@@H](NC(=O)[O-])[C@H](C)C1)CC2 ZINC000739872891 603416073 /nfs/dbraw/zinc/41/60/73/603416073.db2.gz KTOZPDBKHIJRJB-CZUORRHYSA-N -1 1 391.468 1.567 20 0 GDADMM CN(C)Cc1ccc(C(N)=O)cc1NC(=O)c1csc(CNC(=O)[O-])n1 ZINC000739610745 603425823 /nfs/dbraw/zinc/42/58/23/603425823.db2.gz YJUUJOJSGWMZKT-UHFFFAOYSA-N -1 1 377.426 1.324 20 0 GDADMM O=S(=O)(N[C@H](CO)c1cc(F)ccc1F)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826487745 607628600 /nfs/dbraw/zinc/62/86/00/607628600.db2.gz YHQGQAQRGUESCZ-CYBMUJFWSA-N -1 1 399.354 1.296 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000826495371 607634508 /nfs/dbraw/zinc/63/45/08/607634508.db2.gz NHMLVVUZWYYFDR-MWLCHTKSSA-N -1 1 395.338 1.082 20 0 GDADMM Cc1ccccc1[C@@H](O)CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826305655 607638538 /nfs/dbraw/zinc/63/85/38/607638538.db2.gz DVDCASNGKPYIAG-ZDUSSCGKSA-N -1 1 377.401 1.326 20 0 GDADMM Cc1ccccc1[C@@H](O)CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826305655 607638540 /nfs/dbraw/zinc/63/85/40/607638540.db2.gz DVDCASNGKPYIAG-ZDUSSCGKSA-N -1 1 377.401 1.326 20 0 GDADMM CC[C@@H](CCO)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825115175 607642114 /nfs/dbraw/zinc/64/21/14/607642114.db2.gz VCKGKMRRFDFABA-VIFPVBQESA-N -1 1 379.364 1.325 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](C(=O)NCCNC(=O)[O-])C1)N(C)Cc1ccccc1 ZINC000823660860 603707671 /nfs/dbraw/zinc/70/76/71/603707671.db2.gz DTCDZCVZYCXLRC-RDJZCZTQSA-N -1 1 390.484 1.129 20 0 GDADMM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N1CCC(CCN2CCOCC2)CC1 ZINC000826102459 603708499 /nfs/dbraw/zinc/70/84/99/603708499.db2.gz YYWPCYRVOUBHFT-ZBFHGGJFSA-N -1 1 383.489 1.451 20 0 GDADMM COC[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)C(C)C ZINC000826150855 607646901 /nfs/dbraw/zinc/64/69/01/607646901.db2.gz NEXCFCOTINVSOC-NSHDSACASA-N -1 1 393.391 1.835 20 0 GDADMM C[C@@H](NC(=O)CCN1CCN(c2ccccn2)CC1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000825116236 603728943 /nfs/dbraw/zinc/72/89/43/603728943.db2.gz ZKSJZWQFZMDIKP-SJORKVTESA-N -1 1 389.500 1.488 20 0 GDADMM C[C@H](CCc1cccn1C)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824412573 607648228 /nfs/dbraw/zinc/64/82/28/607648228.db2.gz BEBWVWJEYIFWIB-LLVKDONJSA-N -1 1 378.433 1.644 20 0 GDADMM COc1ccc([C@@H](CNC(=O)COC2CN(C(=O)[O-])C2)N2CCCCC2)cc1 ZINC000829312346 603741077 /nfs/dbraw/zinc/74/10/77/603741077.db2.gz UAGUAQHVOLUGNN-GOSISDBHSA-N -1 1 391.468 1.717 20 0 GDADMM CN([C@@H](CCO)c1ccccc1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825833236 607653005 /nfs/dbraw/zinc/65/30/05/607653005.db2.gz CUVZKUUMRUEOAW-AWEZNQCLSA-N -1 1 391.428 1.750 20 0 GDADMM CN([C@@H](CCO)c1ccccc1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825833236 607653006 /nfs/dbraw/zinc/65/30/06/607653006.db2.gz CUVZKUUMRUEOAW-AWEZNQCLSA-N -1 1 391.428 1.750 20 0 GDADMM C[C@@H]1CN(C(=O)CCN2CCN(c3ccccn3)CC2)C[C@H](C)N1C(=O)[O-] ZINC000825983468 603795490 /nfs/dbraw/zinc/79/54/90/603795490.db2.gz JMISRSSPRUJQSV-IYBDPMFKSA-N -1 1 375.473 1.193 20 0 GDADMM CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C1CCC(NC(=O)[O-])CC1 ZINC000828114380 603835434 /nfs/dbraw/zinc/83/54/34/603835434.db2.gz GQNNIPJDGGPOMD-UHFFFAOYSA-N -1 1 390.484 1.972 20 0 GDADMM C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)Nc1cccc2c1CCN(C(=O)[O-])C2 ZINC000826046851 603908065 /nfs/dbraw/zinc/90/80/65/603908065.db2.gz ACUUNZRUSIWXNR-PXAZEXFGSA-N -1 1 386.452 1.260 20 0 GDADMM COc1cc(NC(=O)C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)ccc1NC(=O)[O-] ZINC000829147594 603910168 /nfs/dbraw/zinc/91/01/68/603910168.db2.gz QCDRJCRDVSNGMW-IINYFYTJSA-N -1 1 376.413 1.323 20 0 GDADMM O=C(NCCCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)C1CCC1 ZINC000826436825 607663160 /nfs/dbraw/zinc/66/31/60/607663160.db2.gz KLDIMHUZBDTWMN-UHFFFAOYSA-N -1 1 398.876 1.105 20 0 GDADMM O=C(NCCCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)C1CCC1 ZINC000826436825 607663162 /nfs/dbraw/zinc/66/31/62/607663162.db2.gz KLDIMHUZBDTWMN-UHFFFAOYSA-N -1 1 398.876 1.105 20 0 GDADMM CN1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c2cccnc21 ZINC000826038557 607664245 /nfs/dbraw/zinc/66/42/45/607664245.db2.gz QRKXYZDECXWQJN-UHFFFAOYSA-N -1 1 375.389 1.046 20 0 GDADMM C[C@@H](NC(=O)Cn1c(=O)c2ccccc2[nH]c1=S)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000825126548 604001714 /nfs/dbraw/zinc/00/17/14/604001714.db2.gz GJKHXJUBKXQYRT-VXGBXAGGSA-N -1 1 390.465 1.580 20 0 GDADMM O=C([O-])N1CCC[C@@H](CNC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000831567093 604002985 /nfs/dbraw/zinc/00/29/85/604002985.db2.gz ATMGENBQXPIFRX-NSHDSACASA-N -1 1 376.438 1.191 20 0 GDADMM Cc1cnc(C(C)(C)NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)s1 ZINC000826317705 607666055 /nfs/dbraw/zinc/66/60/55/607666055.db2.gz LJGFUUXVYMWQSF-UHFFFAOYSA-N -1 1 382.446 1.984 20 0 GDADMM Cc1cnc(C(C)(C)NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)s1 ZINC000826317705 607666057 /nfs/dbraw/zinc/66/60/57/607666057.db2.gz LJGFUUXVYMWQSF-UHFFFAOYSA-N -1 1 382.446 1.984 20 0 GDADMM COC(=O)[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)C1CCCCC1 ZINC000826111439 607669350 /nfs/dbraw/zinc/66/93/50/607669350.db2.gz FHSCIOATMRWOBL-CQSZACIVSA-N -1 1 397.432 1.406 20 0 GDADMM COC(=O)[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)C1CCCCC1 ZINC000826111439 607669352 /nfs/dbraw/zinc/66/93/52/607669352.db2.gz FHSCIOATMRWOBL-CQSZACIVSA-N -1 1 397.432 1.406 20 0 GDADMM COc1cccc(C2(NS(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)CC2)c1 ZINC000826214989 607670499 /nfs/dbraw/zinc/67/04/99/607670499.db2.gz CTWGZIHVLMIXNG-UHFFFAOYSA-N -1 1 389.412 1.982 20 0 GDADMM COc1cccc(C2(NS(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)CC2)c1 ZINC000826214989 607670500 /nfs/dbraw/zinc/67/05/00/607670500.db2.gz CTWGZIHVLMIXNG-UHFFFAOYSA-N -1 1 389.412 1.982 20 0 GDADMM O=S(=O)(N[C@H]1CCc2c[nH]nc2C1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826488975 607671391 /nfs/dbraw/zinc/67/13/91/607671391.db2.gz DVCHIAZBAXKJSF-VIFPVBQESA-N -1 1 379.833 1.079 20 0 GDADMM NC(=O)[C@H]1CCCCC[C@@H]1NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826389728 607671512 /nfs/dbraw/zinc/67/15/12/607671512.db2.gz GTWFOPJQZKLFOG-ONGXEEELSA-N -1 1 398.876 1.233 20 0 GDADMM NC(=O)[C@H]1CCCCC[C@@H]1NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 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C[C@H]1CN(Cc2ccc(OCC(=O)[O-])cc2)CCN1c1nccn2cnnc12 ZINC000833628826 605299363 /nfs/dbraw/zinc/29/93/63/605299363.db2.gz BPCCTLDWXFRHLI-AWEZNQCLSA-N -1 1 382.424 1.298 20 0 GDADMM C[C@@H](NC(=O)C[C@@H]1CSCCN1C(=O)[O-])C1(N2CCOCC2)CCCC1 ZINC000825109604 605316084 /nfs/dbraw/zinc/31/60/84/605316084.db2.gz XRUGCTOADXSDGF-HUUCEWRRSA-N -1 1 385.530 1.622 20 0 GDADMM O=C(CO[C@@H]1CCCN(C(=O)[O-])C1)NC1CCN(Cc2cccnc2)CC1 ZINC000831513269 605321650 /nfs/dbraw/zinc/32/16/50/605321650.db2.gz OMGSMXBMIAHSNB-QGZVFWFLSA-N -1 1 376.457 1.321 20 0 GDADMM CC(=O)N(Cc1noc(C(C)C)n1)[C@@H]1CCN(C[C@@H]2CC(C(=O)[O-])=C(C)O2)C1 ZINC000833389714 605345795 /nfs/dbraw/zinc/34/57/95/605345795.db2.gz UAFPODANBDETHU-CABCVRRESA-N -1 1 392.456 1.763 20 0 GDADMM C[C@H]1CN(C(=O)C=CC(=O)Nc2ccc3n[nH]cc3c2)CCN1CCC(=O)[O-] ZINC000833617906 605472640 /nfs/dbraw/zinc/47/26/40/605472640.db2.gz INWZAVHKDVBUCQ-IHVVCDCBSA-N -1 1 385.424 1.065 20 0 GDADMM Cc1cc(C[C@H](C)NC(=O)C(=O)Nc2cccc3c2CCN(C(=O)[O-])C3)n[nH]1 ZINC000830028635 605504226 /nfs/dbraw/zinc/50/42/26/605504226.db2.gz AXQHEADMRTWAQW-NSHDSACASA-N -1 1 385.424 1.440 20 0 GDADMM O=C([O-])N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(Cc2cnc3ccccn23)C1 ZINC000834031435 605520518 /nfs/dbraw/zinc/52/05/18/605520518.db2.gz ZHIZFNQTWZFYJA-DOTOQJQBSA-N -1 1 385.468 1.805 20 0 GDADMM O=C(NC[C@H](O)[C@H]1CCCO1)c1c([O-])cnc2c(Br)cccc21 ZINC000529776625 649959704 /nfs/dbraw/zinc/95/97/04/649959704.db2.gz YBFIFOATTOLWFA-WCQYABFASA-N -1 1 381.226 1.973 20 0 GDADMM C[C@]1(CNC(=O)C(=O)Nc2cnn(-c3ccncc3)c2)CCCN(C(=O)[O-])C1 ZINC000833823595 605616046 /nfs/dbraw/zinc/61/60/46/605616046.db2.gz HTNKBCUVARBSTA-GOSISDBHSA-N -1 1 386.412 1.102 20 0 GDADMM NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1 ZINC000833984119 605668129 /nfs/dbraw/zinc/66/81/29/605668129.db2.gz MQQNHYPPWRLTLW-CQSZACIVSA-N -1 1 385.355 1.819 20 0 GDADMM O=C([O-])N1CCc2ccccc2[C@H]1C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000831292966 605733516 /nfs/dbraw/zinc/73/35/16/605733516.db2.gz UPEVTJIYVDNHQM-IBGZPJMESA-N -1 1 387.480 1.835 20 0 GDADMM Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNC[C@H](NC(=O)[O-])C1CC1 ZINC000833918427 605825612 /nfs/dbraw/zinc/82/56/12/605825612.db2.gz AKUBYDIMKZQBHK-AAEUAGOBSA-N -1 1 390.893 1.340 20 0 GDADMM CC(C)CN1CCO[C@H](CNC(=O)C(=O)Nc2cc(Cl)ccc2C(=O)[O-])C1 ZINC000833489304 605882637 /nfs/dbraw/zinc/88/26/37/605882637.db2.gz ZRDGZBMINTVOTK-CYBMUJFWSA-N -1 1 397.859 1.450 20 0 GDADMM O=C([O-])N1CCC(C(=O)N2CCC[C@@H](c3nn[nH]n3)C2)(c2ccccc2)CC1 ZINC000834070611 605975906 /nfs/dbraw/zinc/97/59/06/605975906.db2.gz DUEXPTORHYIQPW-CQSZACIVSA-N -1 1 384.440 1.618 20 0 GDADMM COC(=O)/C(C)=C\CN1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000821638786 606101343 /nfs/dbraw/zinc/10/13/43/606101343.db2.gz IBZRFVWECAMAFC-XGICHPGQSA-N -1 1 399.411 1.356 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cc(I)c[nH]1 ZINC000823294908 606128969 /nfs/dbraw/zinc/12/89/69/606128969.db2.gz XHFWHIGMYHULQP-UHFFFAOYSA-N -1 1 396.148 1.757 20 0 GDADMM CCN(CC(C)(C)O)C(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000821169977 606153454 /nfs/dbraw/zinc/15/34/54/606153454.db2.gz KCTXZESDKCRNSO-UHFFFAOYSA-N -1 1 386.460 1.078 20 0 GDADMM CCN(CC(C)(C)O)C(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000821169977 606153455 /nfs/dbraw/zinc/15/34/55/606153455.db2.gz KCTXZESDKCRNSO-UHFFFAOYSA-N -1 1 386.460 1.078 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CCCN(c3cccc(F)c3)C2)n1 ZINC000822614943 606166478 /nfs/dbraw/zinc/16/64/78/606166478.db2.gz XWDVVDLWWJIQTM-GFCCVEGCSA-N -1 1 385.407 1.530 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CCCN(c3cccc(F)c3)C2)n1 ZINC000822614943 606166479 /nfs/dbraw/zinc/16/64/79/606166479.db2.gz XWDVVDLWWJIQTM-GFCCVEGCSA-N -1 1 385.407 1.530 20 0 GDADMM COc1cccc(N2CCC[C@@H](NC(=O)Nc3nn(C)cc3-c3nnn[n-]3)C2)c1 ZINC000821872423 606171258 /nfs/dbraw/zinc/17/12/58/606171258.db2.gz MFJGLMGMFKEVMR-GFCCVEGCSA-N -1 1 397.443 1.399 20 0 GDADMM COc1cccc(N2CCC[C@@H](NC(=O)Nc3nn(C)cc3-c3nn[n-]n3)C2)c1 ZINC000821872423 606171259 /nfs/dbraw/zinc/17/12/59/606171259.db2.gz MFJGLMGMFKEVMR-GFCCVEGCSA-N -1 1 397.443 1.399 20 0 GDADMM CCc1nn(Cc2csc([C@H](C)OC)n2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000821517207 606171555 /nfs/dbraw/zinc/17/15/55/606171555.db2.gz GXJFUISQOOSXHU-VIFPVBQESA-N -1 1 375.458 1.760 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2cccc(Cn3cccn3)c2)n1 ZINC000822620407 606172376 /nfs/dbraw/zinc/17/23/76/606172376.db2.gz QCLRLRGWNXJCOP-UHFFFAOYSA-N -1 1 378.400 1.167 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2cccc(Cn3cccn3)c2)n1 ZINC000822620407 606172377 /nfs/dbraw/zinc/17/23/77/606172377.db2.gz QCLRLRGWNXJCOP-UHFFFAOYSA-N -1 1 378.400 1.167 20 0 GDADMM COCc1nc2cc([N-]S(=O)(=O)c3cccc(-c4nn[nH]n4)c3)ccc2o1 ZINC000821697045 606202350 /nfs/dbraw/zinc/20/23/50/606202350.db2.gz YWBUMZZPVHBPCR-UHFFFAOYSA-N -1 1 386.393 1.955 20 0 GDADMM Cc1nc2n(n1)CCC[C@@H]2NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000822463703 606275805 /nfs/dbraw/zinc/27/58/05/606275805.db2.gz VCEWEBCRAOJIMR-ZDUSSCGKSA-N -1 1 397.443 1.068 20 0 GDADMM O=C([C@@H]1C[C@H]1C1CC1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000822917093 606277787 /nfs/dbraw/zinc/27/77/87/606277787.db2.gz NFHHQFXEGUMDJZ-QWHCGFSZSA-N -1 1 395.423 1.809 20 0 GDADMM CN(c1cccc(-c2nn[nH]n2)c1)S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000821619252 606337680 /nfs/dbraw/zinc/33/76/80/606337680.db2.gz PDNRKKAFXZWCOX-UHFFFAOYSA-N -1 1 375.366 1.096 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1ccn(CC(F)F)n1 ZINC000822010371 606366634 /nfs/dbraw/zinc/36/66/34/606366634.db2.gz ZWTMATYJYCQXHV-UHFFFAOYSA-N -1 1 392.370 1.617 20 0 GDADMM Cc1nn(Cc2ccc(Br)c(F)c2)c(=O)c(-c2nn[n-]n2)c1C ZINC000822501162 606368072 /nfs/dbraw/zinc/36/80/72/606368072.db2.gz YOSAZRHTFAYMQO-UHFFFAOYSA-N -1 1 379.193 1.990 20 0 GDADMM CCCN1C(=S)N[C@@H](c2ccc(-c3nn[n-]n3)s2)C(C(=O)N(C)C)=C1C ZINC000821109305 606393243 /nfs/dbraw/zinc/39/32/43/606393243.db2.gz GRPGTKWHCJYWNN-ZDUSSCGKSA-N -1 1 391.526 1.932 20 0 GDADMM CCN1C(=O)N[C@@H](c2ccc(-c3nn[n-]n3)s2)C(C(=O)OCCOC)=C1C ZINC000821242496 606393336 /nfs/dbraw/zinc/39/33/36/606393336.db2.gz UEDVOYDUDRZESL-ZDUSSCGKSA-N -1 1 392.441 1.478 20 0 GDADMM CN1C(=O)N[C@]2(CCC[C@@H]2CNc2ccc(Cl)c(-c3nnn[n-]3)n2)C1=O ZINC000821620588 606422614 /nfs/dbraw/zinc/42/26/14/606422614.db2.gz PMHOWGOIOSTQPC-GLEZIHRCSA-N -1 1 376.808 1.048 20 0 GDADMM CN1C(=O)N[C@]2(CCC[C@@H]2CNc2ccc(Cl)c(-c3nn[n-]n3)n2)C1=O ZINC000821620588 606422616 /nfs/dbraw/zinc/42/26/16/606422616.db2.gz PMHOWGOIOSTQPC-GLEZIHRCSA-N -1 1 376.808 1.048 20 0 GDADMM CCO[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1(CC)CC ZINC000821358952 606437283 /nfs/dbraw/zinc/43/72/83/606437283.db2.gz LVXKKBQJADOYPM-CABCVRRESA-N -1 1 394.501 1.866 20 0 GDADMM CCO[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1(CC)CC ZINC000821358952 606437285 /nfs/dbraw/zinc/43/72/85/606437285.db2.gz LVXKKBQJADOYPM-CABCVRRESA-N -1 1 394.501 1.866 20 0 GDADMM Nc1n[nH]c(CCCNc2ccccc2S(=O)(=O)C(F)F)c1-c1nnn[n-]1 ZINC000822899568 606442113 /nfs/dbraw/zinc/44/21/13/606442113.db2.gz KSNSWLSZBFETRS-UHFFFAOYSA-N -1 1 398.399 1.213 20 0 GDADMM Nc1n[nH]c(CCCNc2ccccc2S(=O)(=O)C(F)F)c1-c1nn[n-]n1 ZINC000822899568 606442114 /nfs/dbraw/zinc/44/21/14/606442114.db2.gz KSNSWLSZBFETRS-UHFFFAOYSA-N -1 1 398.399 1.213 20 0 GDADMM C[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)c1cccc(S(N)(=O)=O)c1 ZINC000820462608 606442806 /nfs/dbraw/zinc/44/28/06/606442806.db2.gz ZAUMBWAYZIQQPN-LURJTMIESA-N -1 1 385.862 1.797 20 0 GDADMM C[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)c1cccc(S(N)(=O)=O)c1 ZINC000820462608 606442807 /nfs/dbraw/zinc/44/28/07/606442807.db2.gz ZAUMBWAYZIQQPN-LURJTMIESA-N -1 1 385.862 1.797 20 0 GDADMM COc1cccc(-c2noc(N(C)CCCc3[nH]nc(N)c3-c3nn[n-]n3)n2)c1 ZINC000821854622 606443351 /nfs/dbraw/zinc/44/33/51/606443351.db2.gz PLUNTNKVKSMQME-UHFFFAOYSA-N -1 1 396.415 1.300 20 0 GDADMM CCO[C@@H]1C[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1(CC)CC ZINC000821357312 606484461 /nfs/dbraw/zinc/48/44/61/606484461.db2.gz BZEVCEWWEGOQLL-UONOGXRCSA-N -1 1 380.474 1.524 20 0 GDADMM CCO[C@@H]1C[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1(CC)CC ZINC000821357312 606484463 /nfs/dbraw/zinc/48/44/63/606484463.db2.gz BZEVCEWWEGOQLL-UONOGXRCSA-N -1 1 380.474 1.524 20 0 GDADMM O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823139636 606499910 /nfs/dbraw/zinc/49/99/10/606499910.db2.gz IUPRCDBXIDEZKQ-CQSZACIVSA-N -1 1 384.465 1.732 20 0 GDADMM O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823139636 606499912 /nfs/dbraw/zinc/49/99/12/606499912.db2.gz IUPRCDBXIDEZKQ-CQSZACIVSA-N -1 1 384.465 1.732 20 0 GDADMM C[C@H]1CN(c2ccc(CNC(=O)c3ccc(-c4nn[n-]n4)s3)cn2)CCO1 ZINC000820769134 606511428 /nfs/dbraw/zinc/51/14/28/606511428.db2.gz RMLWPUMAAATTCM-NSHDSACASA-N -1 1 385.453 1.478 20 0 GDADMM O=C(NCC(F)F)C1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000823162005 606523546 /nfs/dbraw/zinc/52/35/46/606523546.db2.gz RGSYYIJUTJBONL-UHFFFAOYSA-N -1 1 393.354 1.712 20 0 GDADMM CCc1nsc(N2CCCN(C(=O)c3ccc(-c4nnn[n-]4)s3)CC2)n1 ZINC000821558971 606579536 /nfs/dbraw/zinc/57/95/36/606579536.db2.gz MUIDKNUKIXWAIV-UHFFFAOYSA-N -1 1 390.498 1.695 20 0 GDADMM CCc1nsc(N2CCCN(C(=O)c3ccc(-c4nn[n-]n4)s3)CC2)n1 ZINC000821558971 606579538 /nfs/dbraw/zinc/57/95/38/606579538.db2.gz MUIDKNUKIXWAIV-UHFFFAOYSA-N -1 1 390.498 1.695 20 0 GDADMM CC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1cccc(S(N)(=O)=O)c1 ZINC000820919870 606595771 /nfs/dbraw/zinc/59/57/71/606595771.db2.gz HAHIGPXIMQLXQI-NSHDSACASA-N -1 1 392.466 1.457 20 0 GDADMM CC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1cccc(S(N)(=O)=O)c1 ZINC000820919870 606595770 /nfs/dbraw/zinc/59/57/70/606595770.db2.gz HAHIGPXIMQLXQI-NSHDSACASA-N -1 1 392.466 1.457 20 0 GDADMM COC(=O)CCC1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000821660482 606612735 /nfs/dbraw/zinc/61/27/35/606612735.db2.gz SXXCPKIGVOICNK-UHFFFAOYSA-N -1 1 397.432 1.360 20 0 GDADMM COC(=O)CCC1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000821660482 606612737 /nfs/dbraw/zinc/61/27/37/606612737.db2.gz SXXCPKIGVOICNK-UHFFFAOYSA-N -1 1 397.432 1.360 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CC[C@@H](C(C)C)C1 ZINC000822459265 606689804 /nfs/dbraw/zinc/68/98/04/606689804.db2.gz OZSHVGHBPRZJMR-CQSZACIVSA-N -1 1 382.472 1.963 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CC[C@@H](C(C)C)C1 ZINC000822459265 606689805 /nfs/dbraw/zinc/68/98/05/606689805.db2.gz OZSHVGHBPRZJMR-CQSZACIVSA-N -1 1 382.472 1.963 20 0 GDADMM CC(=O)Nc1cc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc(C(F)(F)F)c1 ZINC000819810837 606733329 /nfs/dbraw/zinc/73/33/29/606733329.db2.gz RIUDKBBDMASELQ-UHFFFAOYSA-N -1 1 394.317 1.830 20 0 GDADMM CC(=O)Nc1cc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc(C(F)(F)F)c1 ZINC000819810837 606733331 /nfs/dbraw/zinc/73/33/31/606733331.db2.gz RIUDKBBDMASELQ-UHFFFAOYSA-N -1 1 394.317 1.830 20 0 GDADMM COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2ccc(F)cc2-c2nn[nH]n2)c1 ZINC000821772796 606763504 /nfs/dbraw/zinc/76/35/04/606763504.db2.gz PXGQIUZQYIVYCG-UHFFFAOYSA-N -1 1 393.356 1.513 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1nc2cc(F)ccc2o1 ZINC000820803752 606779028 /nfs/dbraw/zinc/77/90/28/606779028.db2.gz GTGYSOAURTZHSN-NSHDSACASA-N -1 1 395.402 1.648 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1nc2cc(F)ccc2o1 ZINC000820803752 606779030 /nfs/dbraw/zinc/77/90/30/606779030.db2.gz GTGYSOAURTZHSN-NSHDSACASA-N -1 1 395.402 1.648 20 0 GDADMM C[C@@H]1CCC[C@@H](NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)C1 ZINC000820697464 606788771 /nfs/dbraw/zinc/78/87/71/606788771.db2.gz HQYTVCUMBKFOMW-HZSPNIEDSA-N -1 1 385.476 1.456 20 0 GDADMM C[C@@H]1CCC[C@@H](NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)C1 ZINC000820697464 606788773 /nfs/dbraw/zinc/78/87/73/606788773.db2.gz HQYTVCUMBKFOMW-HZSPNIEDSA-N -1 1 385.476 1.456 20 0 GDADMM CC(=CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1ccccc1 ZINC000819766320 606820527 /nfs/dbraw/zinc/82/05/27/606820527.db2.gz WPHZTWWCCBCGQX-IKESIWSLSA-N -1 1 390.451 1.797 20 0 GDADMM CC(=CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1ccccc1 ZINC000819766320 606820528 /nfs/dbraw/zinc/82/05/28/606820528.db2.gz WPHZTWWCCBCGQX-IKESIWSLSA-N -1 1 390.451 1.797 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc(C(C)(C)C)on1 ZINC000820788522 606821845 /nfs/dbraw/zinc/82/18/45/606821845.db2.gz JFLAFFSDCHULKC-NSHDSACASA-N -1 1 397.443 1.293 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc(C(C)(C)C)on1 ZINC000820788522 606821846 /nfs/dbraw/zinc/82/18/46/606821846.db2.gz JFLAFFSDCHULKC-NSHDSACASA-N -1 1 397.443 1.293 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@@H]1Cc2ccccc21 ZINC000820777508 606822985 /nfs/dbraw/zinc/82/29/85/606822985.db2.gz RVNGGOJMQDHFBY-IUODEOHRSA-N -1 1 376.424 1.034 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@@H]1Cc2ccccc21 ZINC000820777508 606822986 /nfs/dbraw/zinc/82/29/86/606822986.db2.gz RVNGGOJMQDHFBY-IUODEOHRSA-N -1 1 376.424 1.034 20 0 GDADMM CCOc1cccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1 ZINC000821426955 606823753 /nfs/dbraw/zinc/82/37/53/606823753.db2.gz KZVPQSOBLXLJNJ-CYBMUJFWSA-N -1 1 394.439 1.406 20 0 GDADMM CCOc1cccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1 ZINC000821426955 606823755 /nfs/dbraw/zinc/82/37/55/606823755.db2.gz KZVPQSOBLXLJNJ-CYBMUJFWSA-N -1 1 394.439 1.406 20 0 GDADMM CC[C@H](CCO)CNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000820902558 606823926 /nfs/dbraw/zinc/82/39/26/606823926.db2.gz MSNBOBHDXDKQTO-SNVBAGLBSA-N -1 1 376.486 1.999 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCCc1ccccc1 ZINC000820775900 606824984 /nfs/dbraw/zinc/82/49/84/606824984.db2.gz JSRYXNIPQGOOCJ-OAHLLOKOSA-N -1 1 392.467 1.717 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCCc1ccccc1 ZINC000820775900 606824985 /nfs/dbraw/zinc/82/49/85/606824985.db2.gz JSRYXNIPQGOOCJ-OAHLLOKOSA-N -1 1 392.467 1.717 20 0 GDADMM Cc1nc(CCC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cs1 ZINC000822436778 606825425 /nfs/dbraw/zinc/82/54/25/606825425.db2.gz QXBWXUTVPBAYOZ-LLVKDONJSA-N -1 1 399.484 1.092 20 0 GDADMM Cc1nc(CCC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cs1 ZINC000822436778 606825427 /nfs/dbraw/zinc/82/54/27/606825427.db2.gz QXBWXUTVPBAYOZ-LLVKDONJSA-N -1 1 399.484 1.092 20 0 GDADMM Cc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c(Cl)n1 ZINC000822226084 606832368 /nfs/dbraw/zinc/83/23/68/606832368.db2.gz CAPSMEBDMKCEAX-LLVKDONJSA-N -1 1 399.846 1.364 20 0 GDADMM Cc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c(Cl)n1 ZINC000822226084 606832370 /nfs/dbraw/zinc/83/23/70/606832370.db2.gz CAPSMEBDMKCEAX-LLVKDONJSA-N -1 1 399.846 1.364 20 0 GDADMM CC(C)c1cc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)no1 ZINC000820187693 606835741 /nfs/dbraw/zinc/83/57/41/606835741.db2.gz NEYRQHYQEBTHIN-NSHDSACASA-N -1 1 398.431 1.511 20 0 GDADMM CC(C)c1cc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)no1 ZINC000820187693 606835742 /nfs/dbraw/zinc/83/57/42/606835742.db2.gz NEYRQHYQEBTHIN-NSHDSACASA-N -1 1 398.431 1.511 20 0 GDADMM CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821001371 606840335 /nfs/dbraw/zinc/84/03/35/606840335.db2.gz QUOZQWDFIQWCNN-YIEQYZEGSA-N -1 1 388.453 1.563 20 0 GDADMM CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821001371 606840336 /nfs/dbraw/zinc/84/03/36/606840336.db2.gz QUOZQWDFIQWCNN-YIEQYZEGSA-N -1 1 388.453 1.563 20 0 GDADMM COc1ccccc1CN(C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821898934 606840961 /nfs/dbraw/zinc/84/09/61/606840961.db2.gz USUUCSFNRRJEAY-UHFFFAOYSA-N -1 1 377.401 1.835 20 0 GDADMM CC[C@@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1ccccc1 ZINC000820843382 606855161 /nfs/dbraw/zinc/85/51/61/606855161.db2.gz XHKDUHWJCJNJTD-GDBMZVCRSA-N -1 1 392.467 1.888 20 0 GDADMM CC[C@@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1ccccc1 ZINC000820843382 606855162 /nfs/dbraw/zinc/85/51/62/606855162.db2.gz XHKDUHWJCJNJTD-GDBMZVCRSA-N -1 1 392.467 1.888 20 0 GDADMM COc1ccc(N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1Cl ZINC000821827552 606868005 /nfs/dbraw/zinc/86/80/05/606868005.db2.gz FFTADQDJZMFEKC-UHFFFAOYSA-N -1 1 380.817 1.749 20 0 GDADMM COc1ccc(N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1Cl ZINC000821827552 606868007 /nfs/dbraw/zinc/86/80/07/606868007.db2.gz FFTADQDJZMFEKC-UHFFFAOYSA-N -1 1 380.817 1.749 20 0 GDADMM CN(Cc1nc(-c2ccccc2)c[nH]1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821616715 606874962 /nfs/dbraw/zinc/87/49/62/606874962.db2.gz DLCJCLSEEYCHMY-UHFFFAOYSA-N -1 1 396.436 1.473 20 0 GDADMM CN(Cc1nc(-c2ccccc2)c[nH]1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821616715 606874965 /nfs/dbraw/zinc/87/49/65/606874965.db2.gz DLCJCLSEEYCHMY-UHFFFAOYSA-N -1 1 396.436 1.473 20 0 GDADMM COCc1nc2n(n1)C[C@@H](Nc1cc(-c3nnn[n-]3)nc3ccccc31)CC2 ZINC000821697034 606878185 /nfs/dbraw/zinc/87/81/85/606878185.db2.gz YMWMXMYSLRAPLP-NSHDSACASA-N -1 1 377.412 1.580 20 0 GDADMM COCc1nc2n(n1)C[C@@H](Nc1cc(-c3nn[n-]n3)nc3ccccc31)CC2 ZINC000821697034 606878187 /nfs/dbraw/zinc/87/81/87/606878187.db2.gz YMWMXMYSLRAPLP-NSHDSACASA-N -1 1 377.412 1.580 20 0 GDADMM CC(C)n1cc([C@H](C)[N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)cn1 ZINC000820437955 606889579 /nfs/dbraw/zinc/88/95/79/606889579.db2.gz FAFOOJMHTQGFEY-VIFPVBQESA-N -1 1 397.411 1.962 20 0 GDADMM COc1cc(C)ccc1C[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821707913 606896058 /nfs/dbraw/zinc/89/60/58/606896058.db2.gz HNRZMEVNGUONCN-UHFFFAOYSA-N -1 1 395.391 1.940 20 0 GDADMM COc1cc(OC)cc(N2CCCN(c3cccc(-c4nnn[n-]4)n3)CC2)c1 ZINC000821723754 606948954 /nfs/dbraw/zinc/94/89/54/606948954.db2.gz IZYQHCFBSCUYGL-UHFFFAOYSA-N -1 1 381.440 1.996 20 0 GDADMM COc1cc(OC)cc(N2CCCN(c3cccc(-c4nn[n-]n4)n3)CC2)c1 ZINC000821723754 606948956 /nfs/dbraw/zinc/94/89/56/606948956.db2.gz IZYQHCFBSCUYGL-UHFFFAOYSA-N -1 1 381.440 1.996 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2COc3ccc(C)cc32)cc1-c1nn[n-]n1 ZINC000821976603 606968016 /nfs/dbraw/zinc/96/80/16/606968016.db2.gz BWDSZSQDXUZYHX-GFCCVEGCSA-N -1 1 384.421 1.861 20 0 GDADMM C[C@H]1OCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)[C@H]1C ZINC000820820258 607004870 /nfs/dbraw/zinc/00/48/70/607004870.db2.gz NEVXFHRQXKNZKT-DTWKUNHWSA-N -1 1 391.375 1.683 20 0 GDADMM CC(C)CO[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000820096623 607050555 /nfs/dbraw/zinc/05/05/55/607050555.db2.gz CYLXBMCLZNGLAY-LBPRGKRZSA-N -1 1 385.877 1.956 20 0 GDADMM CCS[C@H](C)c1noc(CN(C)C(=O)Nc2nn(C)cc2-c2nnn[n-]2)n1 ZINC000821446413 607069833 /nfs/dbraw/zinc/06/98/33/607069833.db2.gz AGTSYGGZRVNETP-MRVPVSSYSA-N -1 1 392.449 1.461 20 0 GDADMM CCS[C@H](C)c1noc(CN(C)C(=O)Nc2nn(C)cc2-c2nn[n-]n2)n1 ZINC000821446413 607069836 /nfs/dbraw/zinc/06/98/36/607069836.db2.gz AGTSYGGZRVNETP-MRVPVSSYSA-N -1 1 392.449 1.461 20 0 GDADMM O=C(CNC(=O)c1c(F)cccc1Cl)Nc1ncc(-c2nnn[n-]2)s1 ZINC000823001259 607110215 /nfs/dbraw/zinc/11/02/15/607110215.db2.gz JIIGJLJSIXJAMM-UHFFFAOYSA-N -1 1 381.780 1.484 20 0 GDADMM O=C(CNC(=O)c1c(F)cccc1Cl)Nc1ncc(-c2nn[n-]n2)s1 ZINC000823001259 607110217 /nfs/dbraw/zinc/11/02/17/607110217.db2.gz JIIGJLJSIXJAMM-UHFFFAOYSA-N -1 1 381.780 1.484 20 0 GDADMM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)c1 ZINC000823391944 607122945 /nfs/dbraw/zinc/12/29/45/607122945.db2.gz JFPVPXVBKPJKFI-UHFFFAOYSA-N -1 1 395.784 1.725 20 0 GDADMM O=C([O-])c1ccc(S(=O)(=O)Nc2cc(-c3nn[nH]n3)ccc2O)cc1F ZINC000823392378 607172582 /nfs/dbraw/zinc/17/25/82/607172582.db2.gz PAOCWLJXRCKABU-UHFFFAOYSA-N -1 1 379.329 1.210 20 0 GDADMM C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1cccc(Br)c1 ZINC000820334269 607207118 /nfs/dbraw/zinc/20/71/18/607207118.db2.gz MQYIRGBPNYVGKR-MRVPVSSYSA-N -1 1 377.206 1.098 20 0 GDADMM Cc1ccccc1CN(Cc1cccnc1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822356412 607209797 /nfs/dbraw/zinc/20/97/97/607209797.db2.gz RKZMPIPKHSLVLP-UHFFFAOYSA-N -1 1 389.423 1.391 20 0 GDADMM CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821596689 607211972 /nfs/dbraw/zinc/21/19/72/607211972.db2.gz RMYNPXBXHLGJBY-HOCLYGCPSA-N -1 1 382.428 1.085 20 0 GDADMM C[C@H](CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1c(Cl)cccc1Cl ZINC000820262295 607212288 /nfs/dbraw/zinc/21/22/88/607212288.db2.gz VEWBVTRAIFWROK-MRVPVSSYSA-N -1 1 381.227 1.685 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(Oc2ccc(F)cc2)cn1 ZINC000823136273 607214927 /nfs/dbraw/zinc/21/49/27/607214927.db2.gz RUNQDOISKDUXOV-UHFFFAOYSA-N -1 1 381.331 1.423 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000823127325 607220510 /nfs/dbraw/zinc/22/05/10/607220510.db2.gz ZYLUZLQGTMXMKV-QGZVFWFLSA-N -1 1 386.419 1.784 20 0 GDADMM Cc1cccc(C(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c2cccc(C)c2)c1 ZINC000822289562 607222250 /nfs/dbraw/zinc/22/22/50/607222250.db2.gz ZPXUQLQERCQZCT-UHFFFAOYSA-N -1 1 388.435 1.981 20 0 GDADMM CCOC(=O)c1sc(NCCCc2[nH]nc(N)c2-c2nnn[n-]2)nc1C ZINC000821345975 607226237 /nfs/dbraw/zinc/22/62/37/607226237.db2.gz BRYRSFXPEDJSLY-UHFFFAOYSA-N -1 1 377.434 1.158 20 0 GDADMM CCOC(=O)c1sc(NCCCc2[nH]nc(N)c2-c2nn[n-]n2)nc1C ZINC000821345975 607226238 /nfs/dbraw/zinc/22/62/38/607226238.db2.gz BRYRSFXPEDJSLY-UHFFFAOYSA-N -1 1 377.434 1.158 20 0 GDADMM CNC(=O)c1cccc(CCC(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)c1 ZINC000826073478 607785708 /nfs/dbraw/zinc/78/57/08/607785708.db2.gz UHIKAIMEUNHINH-UHFFFAOYSA-N -1 1 396.455 1.749 20 0 GDADMM CNC(=O)c1cccc(CCC(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)c1 ZINC000826073478 607785709 /nfs/dbraw/zinc/78/57/09/607785709.db2.gz UHIKAIMEUNHINH-UHFFFAOYSA-N -1 1 396.455 1.749 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)Cc2ccc(Br)c(F)c2)n1 ZINC000826356798 607786947 /nfs/dbraw/zinc/78/69/47/607786947.db2.gz GEIHPMYRYWHERY-UHFFFAOYSA-N -1 1 380.181 1.683 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)Cc2ccc(Br)c(F)c2)n1 ZINC000826356798 607786948 /nfs/dbraw/zinc/78/69/48/607786948.db2.gz GEIHPMYRYWHERY-UHFFFAOYSA-N -1 1 380.181 1.683 20 0 GDADMM Cc1ccc(CC(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)o1 ZINC000826286944 607817026 /nfs/dbraw/zinc/81/70/26/607817026.db2.gz WMMFPQLTZCPHLQ-UHFFFAOYSA-N -1 1 383.412 1.525 20 0 GDADMM O=c1[nH]ccc2cc(OS(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)c(F)cc21 ZINC000826501568 607848074 /nfs/dbraw/zinc/84/80/74/607848074.db2.gz WCKCJQKFXFOLMM-UHFFFAOYSA-N -1 1 388.340 1.422 20 0 GDADMM O=c1[nH]ccc2cc(OS(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)c(F)cc21 ZINC000826501568 607848075 /nfs/dbraw/zinc/84/80/75/607848075.db2.gz WCKCJQKFXFOLMM-UHFFFAOYSA-N -1 1 388.340 1.422 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CC[C@H](C2CCOCC2)C1 ZINC000826496359 607853249 /nfs/dbraw/zinc/85/32/49/607853249.db2.gz SYCPYIKTETXUNX-LBPRGKRZSA-N -1 1 381.433 1.443 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CC[C@H](C2CCOCC2)C1 ZINC000826496359 607853250 /nfs/dbraw/zinc/85/32/50/607853250.db2.gz SYCPYIKTETXUNX-LBPRGKRZSA-N -1 1 381.433 1.443 20 0 GDADMM CCc1noc(C)c1NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000825775968 607857114 /nfs/dbraw/zinc/85/71/14/607857114.db2.gz BAVZZIQJVCLBGH-SNVBAGLBSA-N -1 1 398.431 1.258 20 0 GDADMM CCc1noc(C)c1NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000825775968 607857115 /nfs/dbraw/zinc/85/71/15/607857115.db2.gz BAVZZIQJVCLBGH-SNVBAGLBSA-N -1 1 398.431 1.258 20 0 GDADMM CCc1noc(C)c1NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000825775967 607857286 /nfs/dbraw/zinc/85/72/86/607857286.db2.gz BAVZZIQJVCLBGH-JTQLQIEISA-N -1 1 398.431 1.258 20 0 GDADMM CCc1noc(C)c1NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000825775967 607857287 /nfs/dbraw/zinc/85/72/87/607857287.db2.gz BAVZZIQJVCLBGH-JTQLQIEISA-N -1 1 398.431 1.258 20 0 GDADMM C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000824935994 607864169 /nfs/dbraw/zinc/86/41/69/607864169.db2.gz DLDUJAWUQHDCHI-JQWIXIFHSA-N -1 1 376.392 1.789 20 0 GDADMM C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000824935994 607864170 /nfs/dbraw/zinc/86/41/70/607864170.db2.gz DLDUJAWUQHDCHI-JQWIXIFHSA-N -1 1 376.392 1.789 20 0 GDADMM O=C(CN1CCN(c2nccnc2-c2nnn[n-]2)CC1)Nc1ccc(Cl)cc1 ZINC000826411211 607904985 /nfs/dbraw/zinc/90/49/85/607904985.db2.gz OWJBFYWZOLKWSP-UHFFFAOYSA-N -1 1 399.846 1.071 20 0 GDADMM O=C(CN1CCN(c2nccnc2-c2nn[n-]n2)CC1)Nc1ccc(Cl)cc1 ZINC000826411211 607904986 /nfs/dbraw/zinc/90/49/86/607904986.db2.gz OWJBFYWZOLKWSP-UHFFFAOYSA-N -1 1 399.846 1.071 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@H]1CCCC(C)(C)C1 ZINC000825000734 607906323 /nfs/dbraw/zinc/90/63/23/607906323.db2.gz UEQSJUMPACMPPL-KBPBESRZSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@H]1CCCC(C)(C)C1 ZINC000825000734 607906324 /nfs/dbraw/zinc/90/63/24/607906324.db2.gz UEQSJUMPACMPPL-KBPBESRZSA-N -1 1 384.488 1.910 20 0 GDADMM CC(=O)N1CC[C@H](NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c2ccccc21 ZINC000823974286 607960570 /nfs/dbraw/zinc/96/05/70/607960570.db2.gz OYEQIOQWIWHZDP-ZDUSSCGKSA-N -1 1 381.400 1.220 20 0 GDADMM CC(=O)N1CC[C@H](NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c2ccccc21 ZINC000823974286 607960571 /nfs/dbraw/zinc/96/05/71/607960571.db2.gz OYEQIOQWIWHZDP-ZDUSSCGKSA-N -1 1 381.400 1.220 20 0 GDADMM CCc1nn(CC(=O)c2cccc(C(=O)OC)c2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000825763329 607965529 /nfs/dbraw/zinc/96/55/29/607965529.db2.gz UJLXRMIGMUQJJR-UHFFFAOYSA-N -1 1 396.407 1.218 20 0 GDADMM Cc1cnc(=S)n(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1 ZINC000826317082 607971337 /nfs/dbraw/zinc/97/13/37/607971337.db2.gz MBSGTKLRSHALEH-GFCCVEGCSA-N -1 1 384.473 1.059 20 0 GDADMM Cc1cnc(=S)n(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1 ZINC000826317082 607971338 /nfs/dbraw/zinc/97/13/38/607971338.db2.gz MBSGTKLRSHALEH-GFCCVEGCSA-N -1 1 384.473 1.059 20 0 GDADMM Cn1cc(-c2ccccc2CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cn1 ZINC000826356549 607972250 /nfs/dbraw/zinc/97/22/50/607972250.db2.gz WBWAECNCUASNIK-UHFFFAOYSA-N -1 1 396.436 1.141 20 0 GDADMM Cn1cc(-c2ccccc2CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cn1 ZINC000826356549 607972251 /nfs/dbraw/zinc/97/22/51/607972251.db2.gz WBWAECNCUASNIK-UHFFFAOYSA-N -1 1 396.436 1.141 20 0 GDADMM CN1C(=O)C[C@H](C(=O)OCc2ccnc(-c3nnn[n-]3)c2)[C@@H]1c1ccc(F)cc1 ZINC000826011174 607979452 /nfs/dbraw/zinc/97/94/52/607979452.db2.gz ZQRLSJDMFCVWQF-YOEHRIQHSA-N -1 1 396.382 1.664 20 0 GDADMM CN1C(=O)C[C@H](C(=O)OCc2ccnc(-c3nn[n-]n3)c2)[C@@H]1c1ccc(F)cc1 ZINC000826011174 607979453 /nfs/dbraw/zinc/97/94/53/607979453.db2.gz ZQRLSJDMFCVWQF-YOEHRIQHSA-N -1 1 396.382 1.664 20 0 GDADMM CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000824108982 607999004 /nfs/dbraw/zinc/99/90/04/607999004.db2.gz LZLJHWOPULVPSY-LBPRGKRZSA-N -1 1 390.400 1.147 20 0 GDADMM CC(=O)c1ccc(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1C ZINC000824024574 608009561 /nfs/dbraw/zinc/00/95/61/608009561.db2.gz KHFRPHLVMUVZHH-UHFFFAOYSA-N -1 1 383.416 1.437 20 0 GDADMM CC(=O)c1ccc(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1C ZINC000824024574 608009562 /nfs/dbraw/zinc/00/95/62/608009562.db2.gz KHFRPHLVMUVZHH-UHFFFAOYSA-N -1 1 383.416 1.437 20 0 GDADMM Cc1ccc(NC(=O)NC(=O)Cn2nc(C)c(C)c(-c3nn[n-]n3)c2=O)cc1C ZINC000826291098 608079605 /nfs/dbraw/zinc/07/96/05/608079605.db2.gz PBHCAAIWFYEZKD-UHFFFAOYSA-N -1 1 396.411 1.005 20 0 GDADMM CC(C)c1ccc2c(c1)[C@@H](Nc1c(-c3nn[n-]n3)c(=O)n(C)c(=O)n1C)CCC2 ZINC000824348053 608099289 /nfs/dbraw/zinc/09/92/89/608099289.db2.gz YAUKATCOPCCPOL-HNNXBMFYSA-N -1 1 395.467 1.877 20 0 GDADMM CCC1(CC)[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)[C@@H](C)[C@H]1OC ZINC000825170595 608157141 /nfs/dbraw/zinc/15/71/41/608157141.db2.gz DBHULEFWILUDIX-LERXQTSPSA-N -1 1 380.474 1.380 20 0 GDADMM CCC1(CC)[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H](C)[C@H]1OC ZINC000825170595 608157142 /nfs/dbraw/zinc/15/71/42/608157142.db2.gz DBHULEFWILUDIX-LERXQTSPSA-N -1 1 380.474 1.380 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC[C@@H]1CCO[C@@H](C)C1 ZINC000826328625 608166694 /nfs/dbraw/zinc/16/66/94/608166694.db2.gz XTWICWBHWSEIJM-SMDDNHRTSA-N -1 1 398.471 1.390 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC[C@@H]1CCO[C@@H](C)C1 ZINC000826328625 608166696 /nfs/dbraw/zinc/16/66/96/608166696.db2.gz XTWICWBHWSEIJM-SMDDNHRTSA-N -1 1 398.471 1.390 20 0 GDADMM O=S(=O)(Cc1ccccc1)NCCNc1snc(Cl)c1-c1nnn[n-]1 ZINC000826486473 608176443 /nfs/dbraw/zinc/17/64/43/608176443.db2.gz DFYFAZYALSVGPE-UHFFFAOYSA-N -1 1 399.889 1.508 20 0 GDADMM O=S(=O)(Cc1ccccc1)NCCNc1snc(Cl)c1-c1nn[n-]n1 ZINC000826486473 608176444 /nfs/dbraw/zinc/17/64/44/608176444.db2.gz DFYFAZYALSVGPE-UHFFFAOYSA-N -1 1 399.889 1.508 20 0 GDADMM Cc1ccc(N2CCCN(c3snc(Cl)c3-c3nnn[n-]3)CC2)nn1 ZINC000826290118 608182227 /nfs/dbraw/zinc/18/22/27/608182227.db2.gz BECXPOABOGRRQJ-UHFFFAOYSA-N -1 1 377.865 1.792 20 0 GDADMM Cc1ccc(N2CCCN(c3snc(Cl)c3-c3nn[n-]n3)CC2)nn1 ZINC000826290118 608182229 /nfs/dbraw/zinc/18/22/29/608182229.db2.gz BECXPOABOGRRQJ-UHFFFAOYSA-N -1 1 377.865 1.792 20 0 GDADMM CC(C)c1cc(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)no1 ZINC000824341832 608193684 /nfs/dbraw/zinc/19/36/84/608193684.db2.gz FQQMQLVIGQZCKC-UHFFFAOYSA-N -1 1 398.427 1.806 20 0 GDADMM Cc1cc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)nn1C(C)(C)C ZINC000826256795 608212205 /nfs/dbraw/zinc/21/22/05/608212205.db2.gz AJDGUOUDRFRJRN-UHFFFAOYSA-N -1 1 386.464 1.137 20 0 GDADMM Cc1cc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)nn1C(C)(C)C ZINC000826256795 608212207 /nfs/dbraw/zinc/21/22/07/608212207.db2.gz AJDGUOUDRFRJRN-UHFFFAOYSA-N -1 1 386.464 1.137 20 0 GDADMM O=c1c(-c2nn[n-]n2)cccn1Cc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000826501351 608225977 /nfs/dbraw/zinc/22/59/77/608225977.db2.gz MAHNWDNTUWPUOR-UHFFFAOYSA-N -1 1 377.383 1.890 20 0 GDADMM O=S(=O)(N[C@@H](c1ccccc1)[C@H]1CCOC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826487591 608248231 /nfs/dbraw/zinc/24/82/31/608248231.db2.gz SWZYEVCHXBRRMO-BBRMVZONSA-N -1 1 386.437 1.318 20 0 GDADMM O=S(=O)(N[C@@H](c1ccccc1)[C@H]1CCOC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826487591 608248233 /nfs/dbraw/zinc/24/82/33/608248233.db2.gz SWZYEVCHXBRRMO-BBRMVZONSA-N -1 1 386.437 1.318 20 0 GDADMM COCC1(C)CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000826152919 608306513 /nfs/dbraw/zinc/30/65/13/608306513.db2.gz TZBRDBDZERNZDN-UHFFFAOYSA-N -1 1 385.877 1.957 20 0 GDADMM COCC1(C)CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000826152919 608306516 /nfs/dbraw/zinc/30/65/16/608306516.db2.gz TZBRDBDZERNZDN-UHFFFAOYSA-N -1 1 385.877 1.957 20 0 GDADMM CCC[C@H]1C(=O)NCCN1Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000825248749 608320016 /nfs/dbraw/zinc/32/00/16/608320016.db2.gz XXCPYVGDZCRIPW-HNNXBMFYSA-N -1 1 380.456 1.461 20 0 GDADMM Cc1oc(NC(=O)[C@@H](C)N2CCCN(CC(F)F)CC2)c(-c2nn[n-]n2)c1C ZINC000826341305 608321877 /nfs/dbraw/zinc/32/18/77/608321877.db2.gz CNUNLESQTIZFSC-LLVKDONJSA-N -1 1 397.430 1.676 20 0 GDADMM C[C@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)c1ccccc1 ZINC000824421313 608340131 /nfs/dbraw/zinc/34/01/31/608340131.db2.gz SBSSDZDTPJMMIS-GFCCVEGCSA-N -1 1 396.455 1.677 20 0 GDADMM C[C@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)c1ccccc1 ZINC000824421313 608340133 /nfs/dbraw/zinc/34/01/33/608340133.db2.gz SBSSDZDTPJMMIS-GFCCVEGCSA-N -1 1 396.455 1.677 20 0 GDADMM CC1CCC(N(C)C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CC1 ZINC000824919843 608340346 /nfs/dbraw/zinc/34/03/46/608340346.db2.gz ZSJFFXWVRVUVPI-UHFFFAOYSA-N -1 1 388.476 1.794 20 0 GDADMM CC1CCC(N(C)C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CC1 ZINC000824919843 608340347 /nfs/dbraw/zinc/34/03/47/608340347.db2.gz ZSJFFXWVRVUVPI-UHFFFAOYSA-N -1 1 388.476 1.794 20 0 GDADMM C[C@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C[C@H](C)S1 ZINC000824970871 608354883 /nfs/dbraw/zinc/35/48/83/608354883.db2.gz YIAVFBBDRHQKEB-UWVGGRQHSA-N -1 1 392.489 1.109 20 0 GDADMM C[C@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C[C@H](C)S1 ZINC000824970871 608354885 /nfs/dbraw/zinc/35/48/85/608354885.db2.gz YIAVFBBDRHQKEB-UWVGGRQHSA-N -1 1 392.489 1.109 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N2C[C@@H]3CCCC[C@@H]3C2)n1 ZINC000824141922 608355178 /nfs/dbraw/zinc/35/51/78/608355178.db2.gz OKKSLHNBESWAAU-TXEJJXNPSA-N -1 1 386.460 1.405 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N2C[C@@H]3CCCC[C@@H]3C2)n1 ZINC000824141922 608355179 /nfs/dbraw/zinc/35/51/79/608355179.db2.gz OKKSLHNBESWAAU-TXEJJXNPSA-N -1 1 386.460 1.405 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NC2CCC(F)(F)CC2)n1 ZINC000824142456 608357512 /nfs/dbraw/zinc/35/75/12/608357512.db2.gz UCFNTCGNOQXRSR-UHFFFAOYSA-N -1 1 396.402 1.451 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NC2CCC(F)(F)CC2)n1 ZINC000824142456 608357513 /nfs/dbraw/zinc/35/75/13/608357513.db2.gz UCFNTCGNOQXRSR-UHFFFAOYSA-N -1 1 396.402 1.451 20 0 GDADMM CC(=O)c1ccc(N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)nc1 ZINC000824024366 608365374 /nfs/dbraw/zinc/36/53/74/608365374.db2.gz BJSAHTPVVRAMHL-UHFFFAOYSA-N -1 1 380.412 1.656 20 0 GDADMM CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825901433 608401303 /nfs/dbraw/zinc/40/13/03/608401303.db2.gz FPHIDZIOFQPCFS-NSHDSACASA-N -1 1 395.345 1.552 20 0 GDADMM CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825901433 608401305 /nfs/dbraw/zinc/40/13/05/608401305.db2.gz FPHIDZIOFQPCFS-NSHDSACASA-N -1 1 395.345 1.552 20 0 GDADMM O=C(Cc1ccccc1Cl)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826423721 608406106 /nfs/dbraw/zinc/40/61/06/608406106.db2.gz CQIOEQGLYPSXKY-UHFFFAOYSA-N -1 1 384.831 1.201 20 0 GDADMM O=C(Cc1ccccc1Cl)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826423721 608406108 /nfs/dbraw/zinc/40/61/08/608406108.db2.gz CQIOEQGLYPSXKY-UHFFFAOYSA-N -1 1 384.831 1.201 20 0 GDADMM CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000825399181 608424729 /nfs/dbraw/zinc/42/47/29/608424729.db2.gz LXTQLLLZSSCCNY-SNVBAGLBSA-N -1 1 384.366 1.284 20 0 GDADMM CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000825399181 608424730 /nfs/dbraw/zinc/42/47/30/608424730.db2.gz LXTQLLLZSSCCNY-SNVBAGLBSA-N -1 1 384.366 1.284 20 0 GDADMM CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000825399180 608424833 /nfs/dbraw/zinc/42/48/33/608424833.db2.gz LXTQLLLZSSCCNY-JTQLQIEISA-N -1 1 384.366 1.284 20 0 GDADMM CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000825399180 608424834 /nfs/dbraw/zinc/42/48/34/608424834.db2.gz LXTQLLLZSSCCNY-JTQLQIEISA-N -1 1 384.366 1.284 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1cc(Cl)nc(C2CC2)n1 ZINC000825001282 608431360 /nfs/dbraw/zinc/43/13/60/608431360.db2.gz YOFLOTCOZNSMBK-SNVBAGLBSA-N -1 1 398.862 1.693 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1cc(Cl)nc(C2CC2)n1 ZINC000825001282 608431362 /nfs/dbraw/zinc/43/13/62/608431362.db2.gz YOFLOTCOZNSMBK-SNVBAGLBSA-N -1 1 398.862 1.693 20 0 GDADMM Cc1ccc(NC(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)cc1Cl ZINC000826291314 608435914 /nfs/dbraw/zinc/43/59/14/608435914.db2.gz ZFILPSSLMGMMIZ-UHFFFAOYSA-N -1 1 399.846 1.973 20 0 GDADMM Cc1ccc(NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)cc1Cl ZINC000826291314 608435916 /nfs/dbraw/zinc/43/59/16/608435916.db2.gz ZFILPSSLMGMMIZ-UHFFFAOYSA-N -1 1 399.846 1.973 20 0 GDADMM CC(C)Oc1cc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)ccn1 ZINC000824319377 608440018 /nfs/dbraw/zinc/44/00/18/608440018.db2.gz NULJIOCBVRPOIS-UHFFFAOYSA-N -1 1 392.416 1.667 20 0 GDADMM O=S(=O)(NCc1cn2ccsc2n1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826491805 608444243 /nfs/dbraw/zinc/44/42/43/608444243.db2.gz CFNKKFIOTBYUQN-UHFFFAOYSA-N -1 1 395.857 1.708 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000825929812 608549259 /nfs/dbraw/zinc/54/92/59/608549259.db2.gz KCSARIWYDHTKBK-UHFFFAOYSA-N -1 1 381.444 1.757 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000825929812 608549261 /nfs/dbraw/zinc/54/92/61/608549261.db2.gz KCSARIWYDHTKBK-UHFFFAOYSA-N -1 1 381.444 1.757 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C=Cc1ccc(Cl)nc1 ZINC000825923578 608555103 /nfs/dbraw/zinc/55/51/03/608555103.db2.gz MRVGDQIZJNSEAO-FNORWQNLSA-N -1 1 387.835 1.325 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C=Cc1ccc(Cl)nc1 ZINC000825923578 608555104 /nfs/dbraw/zinc/55/51/04/608555104.db2.gz MRVGDQIZJNSEAO-FNORWQNLSA-N -1 1 387.835 1.325 20 0 GDADMM Cc1ccsc1[C@H]1C[C@@H]1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826316778 608555530 /nfs/dbraw/zinc/55/55/30/608555530.db2.gz YLFLEOTYCOABGF-QWRGUYRKSA-N -1 1 386.485 1.737 20 0 GDADMM Cc1ccsc1[C@H]1C[C@@H]1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826316778 608555531 /nfs/dbraw/zinc/55/55/31/608555531.db2.gz YLFLEOTYCOABGF-QWRGUYRKSA-N -1 1 386.485 1.737 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C/C=C/c1cccc(F)c1 ZINC000825923533 608556893 /nfs/dbraw/zinc/55/68/93/608556893.db2.gz LGEXMDRRKLXPEN-ZZXKWVIFSA-N -1 1 384.419 1.806 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C/C=C/c1cccc(F)c1 ZINC000825923533 608556895 /nfs/dbraw/zinc/55/68/95/608556895.db2.gz LGEXMDRRKLXPEN-ZZXKWVIFSA-N -1 1 384.419 1.806 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ncccc1C(F)(F)F ZINC000825934595 608560462 /nfs/dbraw/zinc/56/04/62/608560462.db2.gz OQCOPVNCGSJCAU-UHFFFAOYSA-N -1 1 395.349 1.291 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ncccc1C(F)(F)F ZINC000825934595 608560464 /nfs/dbraw/zinc/56/04/64/608560464.db2.gz OQCOPVNCGSJCAU-UHFFFAOYSA-N -1 1 395.349 1.291 20 0 GDADMM Cc1nn(C)c2c1N(S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)CCO2 ZINC000826334323 608589459 /nfs/dbraw/zinc/58/94/59/608589459.db2.gz QDPDCUOGMHPIRS-UHFFFAOYSA-N -1 1 395.832 1.150 20 0 GDADMM Cc1nn(C)c2c1N(S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)CCO2 ZINC000826334323 608589461 /nfs/dbraw/zinc/58/94/61/608589461.db2.gz QDPDCUOGMHPIRS-UHFFFAOYSA-N -1 1 395.832 1.150 20 0 GDADMM COc1cc(F)cc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)c1 ZINC000826179942 608757351 /nfs/dbraw/zinc/75/73/51/608757351.db2.gz LXMQKCIOKSXXHN-UHFFFAOYSA-N -1 1 399.354 1.771 20 0 GDADMM CC(C)C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)Nc1nccs1 ZINC000824236059 608827406 /nfs/dbraw/zinc/82/74/06/608827406.db2.gz MFIXLFWSQCBIFW-LBPRGKRZSA-N -1 1 386.441 1.501 20 0 GDADMM CC(C)C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)Nc1nccs1 ZINC000824236059 608827408 /nfs/dbraw/zinc/82/74/08/608827408.db2.gz MFIXLFWSQCBIFW-LBPRGKRZSA-N -1 1 386.441 1.501 20 0 GDADMM CC(=O)Nc1ccc(NC(=O)Cn2ccnc2-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824000159 608889303 /nfs/dbraw/zinc/88/93/03/608889303.db2.gz WYWVGXMFNOEYAA-UHFFFAOYSA-N -1 1 394.317 1.679 20 0 GDADMM CC(=O)Nc1ccc(NC(=O)Cn2ccnc2-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824000159 608889307 /nfs/dbraw/zinc/88/93/07/608889307.db2.gz WYWVGXMFNOEYAA-UHFFFAOYSA-N -1 1 394.317 1.679 20 0 GDADMM COc1nc(C)ccc1C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000826221814 609247503 /nfs/dbraw/zinc/24/75/03/609247503.db2.gz WFZNEXYBASFNOG-UHFFFAOYSA-N -1 1 386.368 1.584 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccc([O-])cc1F ZINC000826430730 609266520 /nfs/dbraw/zinc/26/65/20/609266520.db2.gz JPXVXGDTCYVZEC-MRXNPFEDSA-N -1 1 396.382 1.637 20 0 GDADMM CC1CCC2(CC1)OC[C@H](CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)O2 ZINC000824918379 609270837 /nfs/dbraw/zinc/27/08/37/609270837.db2.gz PSVMGLLEMQKOGR-CSJGVYOVSA-N -1 1 376.421 1.044 20 0 GDADMM CC1CCC2(CC1)OC[C@H](CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)O2 ZINC000824918379 609270838 /nfs/dbraw/zinc/27/08/38/609270838.db2.gz PSVMGLLEMQKOGR-CSJGVYOVSA-N -1 1 376.421 1.044 20 0 GDADMM CS(=O)(=O)CC1(CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CC1 ZINC000826222486 609278592 /nfs/dbraw/zinc/27/85/92/609278592.db2.gz YOYMBYFHMRBJQT-UHFFFAOYSA-N -1 1 391.432 1.428 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)Oc2ccc(NC(C)=O)cc2)cc1-c1nn[n-]n1 ZINC000826229639 609296494 /nfs/dbraw/zinc/29/64/94/609296494.db2.gz LJFKYZGZTZZRNK-UHFFFAOYSA-N -1 1 386.393 1.867 20 0 GDADMM CCc1ccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)s1 ZINC000825712954 609300163 /nfs/dbraw/zinc/30/01/63/609300163.db2.gz XUNNXMZQQQMVJJ-UHFFFAOYSA-N -1 1 389.489 1.570 20 0 GDADMM CCc1ccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)s1 ZINC000825712954 609300165 /nfs/dbraw/zinc/30/01/65/609300165.db2.gz XUNNXMZQQQMVJJ-UHFFFAOYSA-N -1 1 389.489 1.570 20 0 GDADMM C[C@@H](Cc1cccc(O)c1)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824457533 609300524 /nfs/dbraw/zinc/30/05/24/609300524.db2.gz OYXMSCFGNOSZPI-NSHDSACASA-N -1 1 399.459 1.083 20 0 GDADMM C[C@@H](Cc1cccc(O)c1)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824457533 609300526 /nfs/dbraw/zinc/30/05/26/609300526.db2.gz OYXMSCFGNOSZPI-NSHDSACASA-N -1 1 399.459 1.083 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCCOC1CCCCC1 ZINC000825930800 609301061 /nfs/dbraw/zinc/30/10/61/609301061.db2.gz ZZWHEYFUKVZPOP-UHFFFAOYSA-N -1 1 391.480 1.095 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCCOC1CCCCC1 ZINC000825930800 609301062 /nfs/dbraw/zinc/30/10/62/609301062.db2.gz ZZWHEYFUKVZPOP-UHFFFAOYSA-N -1 1 391.480 1.095 20 0 GDADMM Cc1ccccc1C[C@@H](C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826306780 609301694 /nfs/dbraw/zinc/30/16/94/609301694.db2.gz LEEKDYFSRMNYLH-CYBMUJFWSA-N -1 1 397.487 1.686 20 0 GDADMM Cc1ccccc1C[C@@H](C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826306780 609301695 /nfs/dbraw/zinc/30/16/95/609301695.db2.gz LEEKDYFSRMNYLH-CYBMUJFWSA-N -1 1 397.487 1.686 20 0 GDADMM C[C@H]1CCCC[C@H]1CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824936759 609302375 /nfs/dbraw/zinc/30/23/75/609302375.db2.gz LTXAVOQTBRQLOL-STQMWFEESA-N -1 1 389.508 1.962 20 0 GDADMM C[C@H]1CCCC[C@H]1CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824936759 609302376 /nfs/dbraw/zinc/30/23/76/609302376.db2.gz LTXAVOQTBRQLOL-STQMWFEESA-N -1 1 389.508 1.962 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NC1CC(c2ccccc2)C1 ZINC000825930273 609302968 /nfs/dbraw/zinc/30/29/68/609302968.db2.gz RNPWPRWOTDVKQK-UHFFFAOYSA-N -1 1 395.471 1.692 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NC1CC(c2ccccc2)C1 ZINC000825930273 609302971 /nfs/dbraw/zinc/30/29/71/609302971.db2.gz RNPWPRWOTDVKQK-UHFFFAOYSA-N -1 1 395.471 1.692 20 0 GDADMM Cc1ccc([C@@H](C)CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000826283304 609303454 /nfs/dbraw/zinc/30/34/54/609303454.db2.gz ODKKFCJECPDXHG-ZDUSSCGKSA-N -1 1 397.487 1.858 20 0 GDADMM Cc1ccc([C@@H](C)CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000826283304 609303455 /nfs/dbraw/zinc/30/34/55/609303455.db2.gz ODKKFCJECPDXHG-ZDUSSCGKSA-N -1 1 397.487 1.858 20 0 GDADMM C[C@H](c1ccccc1)[C@H](C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824489846 609303662 /nfs/dbraw/zinc/30/36/62/609303662.db2.gz MVBRFNCHKQLUMN-STQMWFEESA-N -1 1 397.487 1.938 20 0 GDADMM C[C@H](c1ccccc1)[C@H](C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824489846 609303663 /nfs/dbraw/zinc/30/36/63/609303663.db2.gz MVBRFNCHKQLUMN-STQMWFEESA-N -1 1 397.487 1.938 20 0 GDADMM Cc1ccc2c(c1)[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)CO2 ZINC000826294706 609310776 /nfs/dbraw/zinc/31/07/76/609310776.db2.gz ZJYFKDWKDRMZFW-ZDUSSCGKSA-N -1 1 397.443 1.188 20 0 GDADMM Cc1ccc2c(c1)[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)CO2 ZINC000826294706 609310778 /nfs/dbraw/zinc/31/07/78/609310778.db2.gz ZJYFKDWKDRMZFW-ZDUSSCGKSA-N -1 1 397.443 1.188 20 0 GDADMM CSCC[C@@H](O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826228490 609313150 /nfs/dbraw/zinc/31/31/50/609313150.db2.gz QRNXHMZGFISONJ-LLVKDONJSA-N -1 1 377.405 1.244 20 0 GDADMM CCc1cc(C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)cc(=O)[nH]1 ZINC000825694346 609352003 /nfs/dbraw/zinc/35/20/03/609352003.db2.gz ORKGNTZKIPCKMD-UHFFFAOYSA-N -1 1 386.368 1.535 20 0 GDADMM Cc1nonc1CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826339955 609359204 /nfs/dbraw/zinc/35/92/04/609359204.db2.gz APJFZRCBYPTJAK-UHFFFAOYSA-N -1 1 384.335 1.205 20 0 GDADMM O=C(NCCC1CCC1)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826436011 609369357 /nfs/dbraw/zinc/36/93/57/609369357.db2.gz FDDSRWOKJWZEAI-UHFFFAOYSA-N -1 1 398.402 1.436 20 0 GDADMM Cc1oc(NC(=O)COC(=O)c2cnn(CC(C)C)c2)c(-c2nn[n-]n2)c1C ZINC000826342376 609393185 /nfs/dbraw/zinc/39/31/85/609393185.db2.gz IBVZAOSNJDFYDL-UHFFFAOYSA-N -1 1 387.400 1.725 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CC[C@@H](C)[C@H](F)C1 ZINC000826327581 609402007 /nfs/dbraw/zinc/40/20/07/609402007.db2.gz MWUBKDLOBAWWEV-MEBBXXQBSA-N -1 1 386.435 1.665 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CC[C@@H](C)[C@H](F)C1 ZINC000826327581 609402008 /nfs/dbraw/zinc/40/20/08/609402008.db2.gz MWUBKDLOBAWWEV-MEBBXXQBSA-N -1 1 386.435 1.665 20 0 GDADMM CC(C)(C)[C@@H]1CCc2nc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)sc2C1 ZINC000824080122 609404346 /nfs/dbraw/zinc/40/43/46/609404346.db2.gz UXIYFJPMGFRVHP-SECBINFHSA-N -1 1 387.473 1.704 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@@H](C)c2cncc(F)c2)cc1-c1nn[n-]n1 ZINC000826229937 609427534 /nfs/dbraw/zinc/42/75/34/609427534.db2.gz XFUOOZGURBDVFX-ZETCQYMHSA-N -1 1 375.389 1.714 20 0 GDADMM Cc1onc(CC(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)c1-c1nnn[n-]1 ZINC000826343804 609469999 /nfs/dbraw/zinc/46/99/99/609469999.db2.gz NSIDGWWMOBPFIB-QMTHXVAHSA-N -1 1 390.350 1.318 20 0 GDADMM Cc1onc(CC(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)c1-c1nn[n-]n1 ZINC000826343804 609470001 /nfs/dbraw/zinc/47/00/01/609470001.db2.gz NSIDGWWMOBPFIB-QMTHXVAHSA-N -1 1 390.350 1.318 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC000824109130 609601910 /nfs/dbraw/zinc/60/19/10/609601910.db2.gz NPUQXDNDTVJDGI-YNEHKIRRSA-N -1 1 386.460 1.786 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC000824109130 609601911 /nfs/dbraw/zinc/60/19/11/609601911.db2.gz NPUQXDNDTVJDGI-YNEHKIRRSA-N -1 1 386.460 1.786 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC000824109779 609602321 /nfs/dbraw/zinc/60/23/21/609602321.db2.gz VJQJPRLCYHFACD-YNEHKIRRSA-N -1 1 386.460 1.786 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC000824109779 609602323 /nfs/dbraw/zinc/60/23/23/609602323.db2.gz VJQJPRLCYHFACD-YNEHKIRRSA-N -1 1 386.460 1.786 20 0 GDADMM CCS[C@H](C)c1noc(CN(C)C(=O)c2coc(S(=O)(=O)[N-]C)c2)n1 ZINC000533739975 650212584 /nfs/dbraw/zinc/21/25/84/650212584.db2.gz PCCWVHKVWBDLEO-SECBINFHSA-N -1 1 388.471 1.657 20 0 GDADMM Cc1nc(S(=O)(=O)[N-]C[C@H]2C[C@H](O)CN2Cc2ccccc2)sc1C ZINC000534821583 650231785 /nfs/dbraw/zinc/23/17/85/650231785.db2.gz YGCKZLHMZBXOJR-CVEARBPZSA-N -1 1 381.523 1.674 20 0 GDADMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1S(C)(=O)=O ZINC000536197937 650266636 /nfs/dbraw/zinc/26/66/36/650266636.db2.gz MNCOGWNKKWAGIB-UHFFFAOYSA-N -1 1 380.447 1.694 20 0 GDADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)CS(=O)(=O)C1CCCC1 ZINC000536938970 650284315 /nfs/dbraw/zinc/28/43/15/650284315.db2.gz PCNKBHHSUHVLHL-UHFFFAOYSA-N -1 1 378.447 1.493 20 0 GDADMM O=C(CSc1ccncc1)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000538890790 650325418 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/nfs/dbraw/zinc/76/21/71/939762171.db2.gz AIFLBGLZJBGLJV-RISCZKNCSA-N -1 1 390.358 1.795 20 0 GDADMM C[C@H](Cc1cnc[nH]1)C(=O)N[C@](C)(C(=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000630194473 939817217 /nfs/dbraw/zinc/81/72/17/939817217.db2.gz YLTFKYSANBVFBQ-DIFFPNOSSA-N -1 1 379.438 1.108 20 0 GDADMM C[C@@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC000323612364 971022093 /nfs/dbraw/zinc/02/20/93/971022093.db2.gz LFOCVTYPRGYXHF-CQSZACIVSA-N -1 1 377.466 1.856 20 0 GDADMM COc1cc(Br)c(OC)c(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])c1 ZINC000323953425 971066506 /nfs/dbraw/zinc/06/65/06/971066506.db2.gz OYSZZCIKHNXTTE-GFCCVEGCSA-N -1 1 398.213 1.615 20 0 GDADMM O=C([O-])[C@H]1CN(C(=O)CCN2CCN(c3cccc(Cl)c3)CC2)CCO1 ZINC001601842204 971068251 /nfs/dbraw/zinc/06/82/51/971068251.db2.gz PCWWCYTWAIHXRS-MRXNPFEDSA-N -1 1 381.860 1.164 20 0 GDADMM C[C@@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)Cc1cscn1 ZINC001571262191 945435081 /nfs/dbraw/zinc/43/50/81/945435081.db2.gz NQYSGJQORFBJSI-MNOVXSKESA-N -1 1 385.457 1.147 20 0 GDADMM C[C@@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)Cc1cscn1 ZINC001571262191 945435085 /nfs/dbraw/zinc/43/50/85/945435085.db2.gz NQYSGJQORFBJSI-MNOVXSKESA-N -1 1 385.457 1.147 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)c2cc(C)sn2)CCN1c1nccnc1-c1nnn[n-]1 ZINC001571262387 945438011 /nfs/dbraw/zinc/43/80/11/945438011.db2.gz RGIKDPKONBDOJS-CMPLNLGQSA-N -1 1 385.457 1.209 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)c2cc(C)sn2)CCN1c1nccnc1-c1nn[n-]n1 ZINC001571262387 945438019 /nfs/dbraw/zinc/43/80/19/945438019.db2.gz RGIKDPKONBDOJS-CMPLNLGQSA-N -1 1 385.457 1.209 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@H]2CCN(C(=O)c3ccns3)C2)n1 ZINC001571262565 945440357 /nfs/dbraw/zinc/44/03/57/945440357.db2.gz VAXJJYOUNACSDK-LLVKDONJSA-N -1 1 385.457 1.020 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@H]2CCN(C(=O)c3ccns3)C2)n1 ZINC001571262565 945440361 /nfs/dbraw/zinc/44/03/61/945440361.db2.gz VAXJJYOUNACSDK-LLVKDONJSA-N -1 1 385.457 1.020 20 0 GDADMM Cc1nc(C)c(C(=O)N[C@H]2C[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)s1 ZINC001571262915 945446064 /nfs/dbraw/zinc/44/60/64/945446064.db2.gz BYFODZPZVOJCQE-XYPYZODXSA-N -1 1 385.457 1.351 20 0 GDADMM Cc1nc(C)c(C(=O)N[C@H]2C[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)s1 ZINC001571262915 945446069 /nfs/dbraw/zinc/44/60/69/945446069.db2.gz BYFODZPZVOJCQE-XYPYZODXSA-N -1 1 385.457 1.351 20 0 GDADMM Cc1ncc(C(=O)N2C[C@@H](CNc3nccnc3-c3nnn[n-]3)[C@H](C)C2)s1 ZINC001571263019 945447975 /nfs/dbraw/zinc/44/79/75/945447975.db2.gz FUJWVZJAEVJCJU-MWLCHTKSSA-N -1 1 385.457 1.242 20 0 GDADMM Cc1ncc(C(=O)N2C[C@@H](CNc3nccnc3-c3nn[n-]n3)[C@H](C)C2)s1 ZINC001571263019 945447977 /nfs/dbraw/zinc/44/79/77/945447977.db2.gz FUJWVZJAEVJCJU-MWLCHTKSSA-N -1 1 385.457 1.242 20 0 GDADMM O=C(c1cscn1)N1CCCCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571263055 945450360 /nfs/dbraw/zinc/45/03/60/945450360.db2.gz GRWUHXRDPSNJPP-LLVKDONJSA-N -1 1 385.457 1.610 20 0 GDADMM O=C(c1cscn1)N1CCCCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571263055 945450364 /nfs/dbraw/zinc/45/03/64/945450364.db2.gz GRWUHXRDPSNJPP-LLVKDONJSA-N -1 1 385.457 1.610 20 0 GDADMM Cc1nsc(N2CCC[C@@H](NC(=O)c3nccc(C)n3)C2)c1-c1nn[n-]n1 ZINC001571263600 945464044 /nfs/dbraw/zinc/46/40/44/945464044.db2.gz UVXFUJWOOCFBSD-LLVKDONJSA-N -1 1 385.457 1.129 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000820513445 945473055 /nfs/dbraw/zinc/47/30/55/945473055.db2.gz ZYDIMIXFIITPNX-QMMMGPOBSA-N -1 1 386.393 1.211 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000820513445 945473060 /nfs/dbraw/zinc/47/30/60/945473060.db2.gz ZYDIMIXFIITPNX-QMMMGPOBSA-N -1 1 386.393 1.211 20 0 GDADMM C[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)c1cccc(F)c1F ZINC001571266872 945554336 /nfs/dbraw/zinc/55/43/36/945554336.db2.gz ATKBTKJTCIMPOO-VHSXEESVSA-N -1 1 386.366 1.072 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(F)cc2F)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571266914 945556945 /nfs/dbraw/zinc/55/69/45/945556945.db2.gz CBIVDIOFSGVTSG-XPTSAGLGSA-N -1 1 386.366 1.508 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(F)cc2F)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571266914 945556954 /nfs/dbraw/zinc/55/69/54/945556954.db2.gz CBIVDIOFSGVTSG-XPTSAGLGSA-N -1 1 386.366 1.508 20 0 GDADMM Cc1ccc(C(=O)N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)c(F)c1F ZINC001571266903 945557139 /nfs/dbraw/zinc/55/71/39/945557139.db2.gz BUVTVVYPUMMSLL-UHFFFAOYSA-N -1 1 386.366 1.206 20 0 GDADMM Cc1ccc(C(=O)N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)c(F)c1F ZINC001571266903 945557146 /nfs/dbraw/zinc/55/71/46/945557146.db2.gz BUVTVVYPUMMSLL-UHFFFAOYSA-N -1 1 386.366 1.206 20 0 GDADMM O=C(c1ccc(F)c(F)c1)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571267133 945562379 /nfs/dbraw/zinc/56/23/79/945562379.db2.gz KIAMELXUVHBNHB-LLVKDONJSA-N -1 1 386.366 1.074 20 0 GDADMM CN(C)C(=O)c1cccc(CNC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)c1 ZINC001571267296 945566392 /nfs/dbraw/zinc/56/63/92/945566392.db2.gz PRCCPYJHLKSKCQ-UHFFFAOYSA-N -1 1 386.362 1.777 20 0 GDADMM CN(C)C(=O)c1cccc(CNC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)c1 ZINC001571267296 945566398 /nfs/dbraw/zinc/56/63/98/945566398.db2.gz PRCCPYJHLKSKCQ-UHFFFAOYSA-N -1 1 386.362 1.777 20 0 GDADMM C[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)c1cc(F)cc(F)c1 ZINC001571267382 945569487 /nfs/dbraw/zinc/56/94/87/945569487.db2.gz SPQYCJVORWXAOY-TVQRCGJNSA-N -1 1 386.366 1.072 20 0 GDADMM CC[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1cccc(OC)c1OC ZINC001571268294 945592345 /nfs/dbraw/zinc/59/23/45/945592345.db2.gz QTHHFUBMQVZHHO-LBPRGKRZSA-N -1 1 386.416 1.890 20 0 GDADMM CC[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1cccc(OC)c1OC ZINC001571268294 945592347 /nfs/dbraw/zinc/59/23/47/945592347.db2.gz QTHHFUBMQVZHHO-LBPRGKRZSA-N -1 1 386.416 1.890 20 0 GDADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC001571269926 945626978 /nfs/dbraw/zinc/62/69/78/945626978.db2.gz IADHWPRCDXKLNP-GWCFXTLKSA-N -1 1 386.437 1.939 20 0 GDADMM C[C@@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CN1C(=O)COc1ccsc1 ZINC001571270225 945633328 /nfs/dbraw/zinc/63/33/28/945633328.db2.gz NXCXVUHCRPFBJO-GHMZBOCLSA-N -1 1 386.441 1.199 20 0 GDADMM C[C@@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CN1C(=O)COc1ccsc1 ZINC001571270225 945633333 /nfs/dbraw/zinc/63/33/33/945633333.db2.gz NXCXVUHCRPFBJO-GHMZBOCLSA-N -1 1 386.441 1.199 20 0 GDADMM Cc1nsc(NC(=O)NCc2cc3c([nH]c2=O)CCCC3)c1-c1nnn[n-]1 ZINC001571270565 945638764 /nfs/dbraw/zinc/63/87/64/945638764.db2.gz VHNKIWRLHDODDO-UHFFFAOYSA-N -1 1 386.441 1.933 20 0 GDADMM Cc1nsc(NC(=O)NCc2cc3c([nH]c2=O)CCCC3)c1-c1nn[n-]n1 ZINC001571270565 945638769 /nfs/dbraw/zinc/63/87/69/945638769.db2.gz VHNKIWRLHDODDO-UHFFFAOYSA-N -1 1 386.441 1.933 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)N[C@@H](CO)c2ncc[nH]2)c1-c1nn[n-]n1 ZINC001571270676 945641090 /nfs/dbraw/zinc/64/10/90/945641090.db2.gz YNEHJZCVAZKEEP-NSHDSACASA-N -1 1 386.441 1.048 20 0 GDADMM Cc1nsc(N2CCC[C@H]([C@H](C)NC(=O)c3cc[nH]c3)C2)c1-c1nn[n-]n1 ZINC001571271578 945644158 /nfs/dbraw/zinc/64/41/58/945644158.db2.gz DVFGODXYMKNZFY-GWCFXTLKSA-N -1 1 386.485 1.995 20 0 GDADMM O=C(C1CCOCC1)N1CCC(CCNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571272668 945667969 /nfs/dbraw/zinc/66/79/69/945667969.db2.gz HMGBJRKRXVEDPQ-UHFFFAOYSA-N -1 1 386.460 1.124 20 0 GDADMM O=C(C1CCOCC1)N1CCC(CCNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571272668 945667973 /nfs/dbraw/zinc/66/79/73/945667973.db2.gz HMGBJRKRXVEDPQ-UHFFFAOYSA-N -1 1 386.460 1.124 20 0 GDADMM COC1CC(C(=O)N2C[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C(C)(C)C2)C1 ZINC001571272982 945675508 /nfs/dbraw/zinc/67/55/08/945675508.db2.gz MDJZFMBWKMALCY-YIZWMMSDSA-N -1 1 386.460 1.039 20 0 GDADMM COC1CC(C(=O)N2C[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C(C)(C)C2)C1 ZINC001571272982 945675514 /nfs/dbraw/zinc/67/55/14/945675514.db2.gz MDJZFMBWKMALCY-YIZWMMSDSA-N -1 1 386.460 1.039 20 0 GDADMM COC(=O)Nc1ccc(NC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)cc1F ZINC001571275048 945703515 /nfs/dbraw/zinc/70/35/15/945703515.db2.gz NSDOHOWUSLOXDZ-UHFFFAOYSA-N -1 1 387.331 1.845 20 0 GDADMM O=C(Nc1ccc(Oc2ccnc(-c3nnn[n-]3)c2)cc1)N[C@@H](CO)CCF ZINC001571275586 945708767 /nfs/dbraw/zinc/70/87/67/945708767.db2.gz XZSNULDYDSWFPS-GFCCVEGCSA-N -1 1 387.375 1.896 20 0 GDADMM O=C(Nc1ccc(Oc2ccnc(-c3nn[n-]n3)c2)cc1)N[C@@H](CO)CCF ZINC001571275586 945708777 /nfs/dbraw/zinc/70/87/77/945708777.db2.gz XZSNULDYDSWFPS-GFCCVEGCSA-N -1 1 387.375 1.896 20 0 GDADMM CC1(C)CO[C@H](CC(=O)N2CCC(Nc3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001571275848 945716396 /nfs/dbraw/zinc/71/63/96/945716396.db2.gz DENHUUWKZSIHCA-CYBMUJFWSA-N -1 1 386.460 1.265 20 0 GDADMM CC1(C)CO[C@H](CC(=O)N2CCC(Nc3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001571275848 945716399 /nfs/dbraw/zinc/71/63/99/945716399.db2.gz DENHUUWKZSIHCA-CYBMUJFWSA-N -1 1 386.460 1.265 20 0 GDADMM CC[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571276660 945734203 /nfs/dbraw/zinc/73/42/03/945734203.db2.gz KLFHYINRDSHBNR-GUTXKFCHSA-N -1 1 386.460 1.122 20 0 GDADMM CC[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571276660 945734209 /nfs/dbraw/zinc/73/42/09/945734209.db2.gz KLFHYINRDSHBNR-GUTXKFCHSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CO[C@@H](CCC(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)C1 ZINC001571277479 945742880 /nfs/dbraw/zinc/74/28/80/945742880.db2.gz KQQPDQNSWNZIBL-STQMWFEESA-N -1 1 386.460 1.265 20 0 GDADMM CC1(C)CO[C@@H](CCC(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)C1 ZINC001571277479 945742887 /nfs/dbraw/zinc/74/28/87/945742887.db2.gz KQQPDQNSWNZIBL-STQMWFEESA-N -1 1 386.460 1.265 20 0 GDADMM CCO[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571278684 945757121 /nfs/dbraw/zinc/75/71/21/945757121.db2.gz QRKIUIOFINOGMU-PWNZVWSESA-N -1 1 386.460 1.169 20 0 GDADMM CCO[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571278684 945757127 /nfs/dbraw/zinc/75/71/27/945757127.db2.gz QRKIUIOFINOGMU-PWNZVWSESA-N -1 1 386.460 1.169 20 0 GDADMM Cc1nc[nH]c1C(=O)NCC1CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001571281682 945810801 /nfs/dbraw/zinc/81/08/01/945810801.db2.gz LNDCWZYTEZYKBS-UHFFFAOYSA-N -1 1 387.473 1.310 20 0 GDADMM CCn1ccc(C(=O)N2CCC[C@H](Nc3snc(C)c3-c3nn[n-]n3)C2)n1 ZINC001571281753 945812126 /nfs/dbraw/zinc/81/21/26/945812126.db2.gz NEINYNUQNZMAAV-NSHDSACASA-N -1 1 387.473 1.565 20 0 GDADMM CCn1cc(C(=O)N2C[C@H](Nc3snc(C)c3-c3nn[n-]n3)C[C@@H]2C)cn1 ZINC001571281761 945812819 /nfs/dbraw/zinc/81/28/19/945812819.db2.gz NICKRJSINNZQKP-JOYOIKCWSA-N -1 1 387.473 1.563 20 0 GDADMM COc1ccc(N2C[C@H](C(=O)Nc3ncc(-c4nnn[n-]4)s3)CC2=O)cc1 ZINC000821832106 945879095 /nfs/dbraw/zinc/87/90/95/945879095.db2.gz ZWYQJUIJYQTMJN-SECBINFHSA-N -1 1 385.409 1.323 20 0 GDADMM COc1ccc(N2C[C@H](C(=O)Nc3ncc(-c4nn[n-]n4)s3)CC2=O)cc1 ZINC000821832106 945879105 /nfs/dbraw/zinc/87/91/05/945879105.db2.gz ZWYQJUIJYQTMJN-SECBINFHSA-N -1 1 385.409 1.323 20 0 GDADMM Cc1nsc(N[C@H]2C[C@H](C)N(C(=O)c3ccncc3F)C2)c1-c1nn[n-]n1 ZINC001571286179 945939496 /nfs/dbraw/zinc/93/94/96/945939496.db2.gz AEDMECBIAOCWOG-WPRPVWTQSA-N -1 1 388.432 1.881 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1CNC(=O)c1sccc1F ZINC001571286650 945955576 /nfs/dbraw/zinc/95/55/76/945955576.db2.gz NPQPRRKWFMSKJY-NXEZZACHSA-N -1 1 388.432 1.360 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1CNC(=O)c1sccc1F ZINC001571286650 945955587 /nfs/dbraw/zinc/95/55/87/945955587.db2.gz NPQPRRKWFMSKJY-NXEZZACHSA-N -1 1 388.432 1.360 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2ccc(F)s2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571286820 945961217 /nfs/dbraw/zinc/96/12/17/945961217.db2.gz SNBSQAJILXBMPK-NXEZZACHSA-N -1 1 388.432 1.645 20 0 GDADMM CC(C)[C@@H](F)C(=O)N1C[C@@]2(C)CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@]2(C)C1 ZINC001571287877 945980302 /nfs/dbraw/zinc/98/03/02/945980302.db2.gz KJWPBDDBHJRJNL-OLMNPRSZSA-N -1 1 388.451 1.326 20 0 GDADMM CC(C)[C@@H](F)C(=O)N1C[C@@]2(C)CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@]2(C)C1 ZINC001571287877 945980314 /nfs/dbraw/zinc/98/03/14/945980314.db2.gz KJWPBDDBHJRJNL-OLMNPRSZSA-N -1 1 388.451 1.326 20 0 GDADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCN(C(=O)C2(CF)CCC2)C1 ZINC001571289277 946001051 /nfs/dbraw/zinc/00/10/51/946001051.db2.gz YTHXNGHZHUNAQH-STQMWFEESA-N -1 1 388.451 1.836 20 0 GDADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCN(C(=O)C2(CF)CCC2)C1 ZINC001571289277 946001064 /nfs/dbraw/zinc/00/10/64/946001064.db2.gz YTHXNGHZHUNAQH-STQMWFEESA-N -1 1 388.451 1.836 20 0 GDADMM Cc1nc(C(=O)N[C@@H]2CCCN(c3snc(C)c3-c3nn[n-]n3)CC2)co1 ZINC001571289884 946019969 /nfs/dbraw/zinc/01/99/69/946019969.db2.gz OXSSYUARIORJJQ-LLVKDONJSA-N -1 1 388.457 1.717 20 0 GDADMM Cc1nocc1C(=O)N[C@H]1CN(c2snc(C)c2-c2nn[n-]n2)CC1(C)C ZINC001571290274 946035560 /nfs/dbraw/zinc/03/55/60/946035560.db2.gz ZAPBZRHIPGRMFZ-NSHDSACASA-N -1 1 388.457 1.573 20 0 GDADMM O=C(c1cc(F)ccc1Cl)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571290369 946037172 /nfs/dbraw/zinc/03/71/72/946037172.db2.gz CIXMNRMBRQAXQH-SNVBAGLBSA-N -1 1 388.794 1.776 20 0 GDADMM O=C(c1cc(F)ccc1Cl)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571290369 946037184 /nfs/dbraw/zinc/03/71/84/946037184.db2.gz CIXMNRMBRQAXQH-SNVBAGLBSA-N -1 1 388.794 1.776 20 0 GDADMM O=C(N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)c1ccsc1Cl ZINC001571290546 946047630 /nfs/dbraw/zinc/04/76/30/946047630.db2.gz ILWAYRGHQSRMDN-JZYVYDRUSA-N -1 1 388.844 1.236 20 0 GDADMM CC1(NC(=O)c2occc2Cl)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571290814 946055562 /nfs/dbraw/zinc/05/55/62/946055562.db2.gz PXOJKJRCWBQIMG-UHFFFAOYSA-N -1 1 388.819 1.692 20 0 GDADMM CC1(NC(=O)c2occc2Cl)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571290814 946055567 /nfs/dbraw/zinc/05/55/67/946055567.db2.gz PXOJKJRCWBQIMG-UHFFFAOYSA-N -1 1 388.819 1.692 20 0 GDADMM O=C(N[C@@H]1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1)c1occc1Cl ZINC001571290803 946056831 /nfs/dbraw/zinc/05/68/31/946056831.db2.gz PQJJFZQXGGIWFN-MWLCHTKSSA-N -1 1 388.819 1.914 20 0 GDADMM O=C(N[C@@H]1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1)c1occc1Cl ZINC001571290803 946056841 /nfs/dbraw/zinc/05/68/41/946056841.db2.gz PQJJFZQXGGIWFN-MWLCHTKSSA-N -1 1 388.819 1.914 20 0 GDADMM O=C(c1ccc(Cl)cc1F)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571291051 946066587 /nfs/dbraw/zinc/06/65/87/946066587.db2.gz ZJQOIDHCHYYDOW-JTQLQIEISA-N -1 1 388.794 1.776 20 0 GDADMM O=C(c1ccc(Cl)cc1F)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571291051 946066599 /nfs/dbraw/zinc/06/65/99/946066599.db2.gz ZJQOIDHCHYYDOW-JTQLQIEISA-N -1 1 388.794 1.776 20 0 GDADMM Cc1cc(F)cc(-c2nn[n-]n2)c1S(=O)(=O)N[C@@H]1COc2ccccc2C1 ZINC001571291441 946078926 /nfs/dbraw/zinc/07/89/26/946078926.db2.gz KFGUUGUDUJENEW-ZDUSSCGKSA-N -1 1 389.412 1.596 20 0 GDADMM CCOC(=O)[C@@H]1CN(C(=O)c2ccsc2-c2nnn[n-]2)C[C@H]1C(F)(F)F ZINC001571292011 946087096 /nfs/dbraw/zinc/08/70/96/946087096.db2.gz SQJYMXXLMYNFJO-RKDXNWHRSA-N -1 1 389.359 1.742 20 0 GDADMM CCOC(=O)[C@@H]1CN(C(=O)c2ccsc2-c2nn[n-]n2)C[C@H]1C(F)(F)F ZINC001571292011 946087112 /nfs/dbraw/zinc/08/71/12/946087112.db2.gz SQJYMXXLMYNFJO-RKDXNWHRSA-N -1 1 389.359 1.742 20 0 GDADMM COc1ccc(C(=O)N2CC[C@@H](CNc3snc(C)c3-c3nn[n-]n3)C2)o1 ZINC001571293281 946101500 /nfs/dbraw/zinc/10/15/00/946101500.db2.gz DFMIEMNPZZGOHM-JTQLQIEISA-N -1 1 389.441 1.807 20 0 GDADMM COC(=O)c1ccc(NC[C@@](C)(O)c2ccc(F)cc2F)c(-c2nnn[n-]2)n1 ZINC001571294214 946128115 /nfs/dbraw/zinc/12/81/15/946128115.db2.gz BBXBWIIMUFFHAL-QGZVFWFLSA-N -1 1 390.350 1.646 20 0 GDADMM COC(=O)c1ccc(NC[C@@](C)(O)c2ccc(F)cc2F)c(-c2nn[n-]n2)n1 ZINC001571294214 946128120 /nfs/dbraw/zinc/12/81/20/946128120.db2.gz BBXBWIIMUFFHAL-QGZVFWFLSA-N -1 1 390.350 1.646 20 0 GDADMM Cc1cc(C(F)F)n(CC(=O)Nc2ncc3c(c2-c2nn[n-]n2)COCC3)n1 ZINC001571294392 946134478 /nfs/dbraw/zinc/13/44/78/946134478.db2.gz DLDAHUGGESNHOK-UHFFFAOYSA-N -1 1 390.354 1.416 20 0 GDADMM O=C([C@@H]1CCC1(F)F)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001571294635 946140326 /nfs/dbraw/zinc/14/03/26/946140326.db2.gz KJQZJKFFVKDQLV-TUAOUCFPSA-N -1 1 390.398 1.272 20 0 GDADMM O=C([C@@H]1CCC1(F)F)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001571294635 946140335 /nfs/dbraw/zinc/14/03/35/946140335.db2.gz KJQZJKFFVKDQLV-TUAOUCFPSA-N -1 1 390.398 1.272 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2nc(-c3nn[n-]n3)c(Cl)s2)C1)[C@@H]1CC1(F)F ZINC001571294669 946140685 /nfs/dbraw/zinc/14/06/85/946140685.db2.gz LLEGTHBJGUWTAD-ACZMJKKPSA-N -1 1 389.819 1.939 20 0 GDADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NCCc1ccccc1OC(F)F ZINC001571295005 946149340 /nfs/dbraw/zinc/14/93/40/946149340.db2.gz RTLKYCGCPKCKJV-UHFFFAOYSA-N -1 1 390.350 1.850 20 0 GDADMM Cc1nc(C(=O)N(C)C2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)sc1C ZINC001571295599 946168907 /nfs/dbraw/zinc/16/89/07/946168907.db2.gz YWKXCVWNMHQGBT-UHFFFAOYSA-N -1 1 389.510 1.958 20 0 GDADMM Cc1nsc(N[C@H]2CC[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2)c1-c1nn[n-]n1 ZINC001571295606 946169631 /nfs/dbraw/zinc/16/96/31/946169631.db2.gz YZHOWGHSIHTWFY-SIHWPTBPSA-N -1 1 389.485 1.363 20 0 GDADMM C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C(=O)OC(C)(C)C)n1cnc(-c2nn[n-]n2)n1 ZINC001571295764 946174356 /nfs/dbraw/zinc/17/43/56/946174356.db2.gz FIIBNUROTRPAHI-GRYCIOLGSA-N -1 1 390.448 1.131 20 0 GDADMM COc1nc(C(=O)NC[C@H]2C[C@@H](Nc3snc(C)c3-c3nn[n-]n3)C2)co1 ZINC001571296248 946190018 /nfs/dbraw/zinc/19/00/18/946190018.db2.gz RTYCAQDVQNQHKA-DTORHVGOSA-N -1 1 390.429 1.249 20 0 GDADMM O=C(c1cccc2c1CCCC2)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571297913 946200610 /nfs/dbraw/zinc/20/06/10/946200610.db2.gz DBQTZNSWZPIXPN-CQSZACIVSA-N -1 1 390.451 1.862 20 0 GDADMM O=C(c1cccc2c1CCCC2)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571297913 946200618 /nfs/dbraw/zinc/20/06/18/946200618.db2.gz DBQTZNSWZPIXPN-CQSZACIVSA-N -1 1 390.451 1.862 20 0 GDADMM O=C([C@@H](c1ccccc1)C1CC1)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571298136 946205508 /nfs/dbraw/zinc/20/55/08/946205508.db2.gz AJTZDLCWVXHZGO-YJBOKZPZSA-N -1 1 390.451 1.863 20 0 GDADMM O=C([C@@H](c1ccccc1)C1CC1)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571298136 946205515 /nfs/dbraw/zinc/20/55/15/946205515.db2.gz AJTZDLCWVXHZGO-YJBOKZPZSA-N -1 1 390.451 1.863 20 0 GDADMM O=C([C@H](c1ccccc1)C1CC1)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571298134 946206213 /nfs/dbraw/zinc/20/62/13/946206213.db2.gz AJTZDLCWVXHZGO-MAUKXSAKSA-N -1 1 390.451 1.863 20 0 GDADMM O=C([C@H](c1ccccc1)C1CC1)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571298134 946206222 /nfs/dbraw/zinc/20/62/22/946206222.db2.gz AJTZDLCWVXHZGO-MAUKXSAKSA-N -1 1 390.451 1.863 20 0 GDADMM C[C@@H](Cc1ccccc1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1 ZINC001571298145 946209210 /nfs/dbraw/zinc/20/92/10/946209210.db2.gz ANUAVDWZTPQINI-BPUTZDHNSA-N -1 1 390.451 1.325 20 0 GDADMM C[C@@H](Cc1ccccc1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1 ZINC001571298145 946209220 /nfs/dbraw/zinc/20/92/20/946209220.db2.gz ANUAVDWZTPQINI-BPUTZDHNSA-N -1 1 390.451 1.325 20 0 GDADMM Cc1ccc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[n-]n3)n2)c1 ZINC001571298400 946215491 /nfs/dbraw/zinc/21/54/91/946215491.db2.gz GDRBTFMEIBZICO-BMFZPTHFSA-N -1 1 390.451 1.813 20 0 GDADMM C[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)c1sccc1Cl ZINC001571298517 946218245 /nfs/dbraw/zinc/21/82/45/946218245.db2.gz ABNYAOUFRHOFFK-IUCAKERBSA-N -1 1 390.860 1.509 20 0 GDADMM O=C(NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1)c1ccc2c(c1)CCC2 ZINC001571298482 946218417 /nfs/dbraw/zinc/21/84/17/946218417.db2.gz PEBHVCMOZGWQPQ-UHFFFAOYSA-N -1 1 390.451 1.188 20 0 GDADMM C[C@@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)c1sccc1Cl ZINC001571298518 946219186 /nfs/dbraw/zinc/21/91/86/946219186.db2.gz ABNYAOUFRHOFFK-RKDXNWHRSA-N -1 1 390.860 1.509 20 0 GDADMM CN(C(=O)c1ccncc1)[C@@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571298734 946226666 /nfs/dbraw/zinc/22/66/66/946226666.db2.gz CRFPTSQKWYVLBO-SNVBAGLBSA-N -1 1 390.860 1.723 20 0 GDADMM CN(C(=O)c1ccncc1)[C@@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571298734 946226673 /nfs/dbraw/zinc/22/66/73/946226673.db2.gz CRFPTSQKWYVLBO-SNVBAGLBSA-N -1 1 390.860 1.723 20 0 GDADMM C[C@H]1C[C@H]1C(=O)NCc1cccc2c1CCN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001571298816 946231033 /nfs/dbraw/zinc/23/10/33/946231033.db2.gz KWQQVLDSPJANHD-BLLLJJGKSA-N -1 1 390.451 1.492 20 0 GDADMM CC(C)[C@H](F)C(=O)N1CCC(CCN(C)c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571299083 946237381 /nfs/dbraw/zinc/23/73/81/946237381.db2.gz UHYSIZMSUHJEKG-INIZCTEOSA-N -1 1 390.467 1.716 20 0 GDADMM CC(C)[C@H](F)C(=O)N1CCC(CCN(C)c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571299083 946237392 /nfs/dbraw/zinc/23/73/92/946237392.db2.gz UHYSIZMSUHJEKG-INIZCTEOSA-N -1 1 390.467 1.716 20 0 GDADMM O=C(N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)[C@@H]1CCCc2ccccc21 ZINC001571299715 946258921 /nfs/dbraw/zinc/25/89/21/946258921.db2.gz ZMLFOAGGIMJZEZ-GOEBONIOSA-N -1 1 390.451 1.472 20 0 GDADMM O=C(N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)[C@@H]1CCCc2ccccc21 ZINC001571299715 946258929 /nfs/dbraw/zinc/25/89/29/946258929.db2.gz ZMLFOAGGIMJZEZ-GOEBONIOSA-N -1 1 390.451 1.472 20 0 GDADMM CN(C(=O)c1cc(Cl)cs1)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571300298 946276791 /nfs/dbraw/zinc/27/67/91/946276791.db2.gz ZAHGSVFRBJVEMV-SNVBAGLBSA-N -1 1 390.860 1.723 20 0 GDADMM CN(C(=O)c1cc(Cl)cs1)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571300298 946276799 /nfs/dbraw/zinc/27/67/99/946276799.db2.gz ZAHGSVFRBJVEMV-SNVBAGLBSA-N -1 1 390.860 1.723 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)NC(=O)NC1CCCCC1 ZINC000823027117 946281697 /nfs/dbraw/zinc/28/16/97/946281697.db2.gz MTZUZVQMHCHSGL-UHFFFAOYSA-N -1 1 378.414 1.244 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)NC(=O)NC1CCCCC1 ZINC000823027117 946281708 /nfs/dbraw/zinc/28/17/08/946281708.db2.gz MTZUZVQMHCHSGL-UHFFFAOYSA-N -1 1 378.414 1.244 20 0 GDADMM CC(=O)N[C@H]1C[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)Oc2ccccc21 ZINC001573495193 946307876 /nfs/dbraw/zinc/30/78/76/946307876.db2.gz OXYMYSCIXKDBBI-KXBFYZLASA-N -1 1 392.423 1.266 20 0 GDADMM CC(=O)N[C@H]1C[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)Oc2ccccc21 ZINC001573495193 946307884 /nfs/dbraw/zinc/30/78/84/946307884.db2.gz OXYMYSCIXKDBBI-KXBFYZLASA-N -1 1 392.423 1.266 20 0 GDADMM Cc1cncc(C(=O)N[C@@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C23CCC3)c1 ZINC001571302895 946317112 /nfs/dbraw/zinc/31/71/12/946317112.db2.gz IODWGDAAICDCPA-HUUCEWRRSA-N -1 1 391.439 1.513 20 0 GDADMM Cc1cncc(C(=O)N[C@@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C23CCC3)c1 ZINC001571302895 946317127 /nfs/dbraw/zinc/31/71/27/946317127.db2.gz IODWGDAAICDCPA-HUUCEWRRSA-N -1 1 391.439 1.513 20 0 GDADMM Cc1cc(C(=O)N[C@]23CCC[C@H]2CN(c2cnc(-c4nnn[n-]4)cn2)C3)ccn1 ZINC001571303038 946324273 /nfs/dbraw/zinc/32/42/73/946324273.db2.gz JTDHZKGQYLNTME-LIRRHRJNSA-N -1 1 391.439 1.149 20 0 GDADMM Cc1cc(C(=O)N[C@]23CCC[C@H]2CN(c2cnc(-c4nn[n-]n4)cn2)C3)ccn1 ZINC001571303038 946324284 /nfs/dbraw/zinc/32/42/84/946324284.db2.gz JTDHZKGQYLNTME-LIRRHRJNSA-N -1 1 391.439 1.149 20 0 GDADMM Cc1cncc(C(=O)N2CC[C@H]3[C@@H](CCN3c3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571303248 946330084 /nfs/dbraw/zinc/33/00/84/946330084.db2.gz MMWFEXVLVQPTSW-ZFWWWQNUSA-N -1 1 391.439 1.101 20 0 GDADMM Cc1cncc(C(=O)N2CC[C@H]3[C@@H](CCN3c3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571303248 946330098 /nfs/dbraw/zinc/33/00/98/946330098.db2.gz MMWFEXVLVQPTSW-ZFWWWQNUSA-N -1 1 391.439 1.101 20 0 GDADMM Cc1cnc(C(=O)N2CC[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]32)c(C)c1 ZINC001571303834 946350957 /nfs/dbraw/zinc/35/09/57/946350957.db2.gz ZAGWGGJIBHFYQP-UONOGXRCSA-N -1 1 391.439 1.019 20 0 GDADMM O=C(NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)c1nc(Cl)cs1 ZINC001571305517 946368320 /nfs/dbraw/zinc/36/83/20/946368320.db2.gz CVDUPGOSJRRMGO-MRVPVSSYSA-N -1 1 391.848 1.165 20 0 GDADMM CC[C@@H]1CC[C@H](C(=O)NC2CCN(c3snc(C)c3-c3nn[n-]n3)CC2)O1 ZINC001571305700 946372494 /nfs/dbraw/zinc/37/24/94/946372494.db2.gz KHNYFHYKXXRIMK-CHWSQXEVSA-N -1 1 391.501 1.674 20 0 GDADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001571307251 946420148 /nfs/dbraw/zinc/42/01/48/946420148.db2.gz BBFKSCXABYVCAL-NWDGAFQWSA-N -1 1 392.414 1.519 20 0 GDADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001571307251 946420155 /nfs/dbraw/zinc/42/01/55/946420155.db2.gz BBFKSCXABYVCAL-NWDGAFQWSA-N -1 1 392.414 1.519 20 0 GDADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCN(C(=O)C2(C)CC(F)(F)C2)C1 ZINC001571307280 946423687 /nfs/dbraw/zinc/42/36/87/946423687.db2.gz CDIGARSACLFHJY-NSHDSACASA-N -1 1 392.414 1.519 20 0 GDADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCN(C(=O)C2(C)CC(F)(F)C2)C1 ZINC001571307280 946423695 /nfs/dbraw/zinc/42/36/95/946423695.db2.gz CDIGARSACLFHJY-NSHDSACASA-N -1 1 392.414 1.519 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCCN2C(=O)C2(C(F)F)CCC2)n1 ZINC001571307868 946426443 /nfs/dbraw/zinc/42/64/43/946426443.db2.gz IEXSDEFVTWHTCP-NSHDSACASA-N -1 1 392.414 1.803 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCCN2C(=O)C2(C(F)F)CCC2)n1 ZINC001571307868 946426452 /nfs/dbraw/zinc/42/64/52/946426452.db2.gz IEXSDEFVTWHTCP-NSHDSACASA-N -1 1 392.414 1.803 20 0 GDADMM CC1(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CCC(F)(F)CC1 ZINC001571307888 946427276 /nfs/dbraw/zinc/42/72/76/946427276.db2.gz IYIKLEIKEPWJMI-NSHDSACASA-N -1 1 392.414 1.567 20 0 GDADMM CC1(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CCC(F)(F)CC1 ZINC001571307888 946427281 /nfs/dbraw/zinc/42/72/81/946427281.db2.gz IYIKLEIKEPWJMI-NSHDSACASA-N -1 1 392.414 1.567 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC2CCN(C(=O)[C@H]3CCC(F)(F)C3)CC2)n1 ZINC001571308386 946433516 /nfs/dbraw/zinc/43/35/16/946433516.db2.gz PJPCICOZUYWCSD-NSHDSACASA-N -1 1 392.414 1.803 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC2CCN(C(=O)[C@H]3CCC(F)(F)C3)CC2)n1 ZINC001571308386 946433518 /nfs/dbraw/zinc/43/35/18/946433518.db2.gz PJPCICOZUYWCSD-NSHDSACASA-N -1 1 392.414 1.803 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCCN2C(=O)[C@H]2CCC(F)(F)C2)n1 ZINC001571308526 946433553 /nfs/dbraw/zinc/43/35/53/946433553.db2.gz PZLCQGUOOQXKPB-RYUDHWBXSA-N -1 1 392.414 1.803 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCCN2C(=O)[C@H]2CCC(F)(F)C2)n1 ZINC001571308526 946433556 /nfs/dbraw/zinc/43/35/56/946433556.db2.gz PZLCQGUOOQXKPB-RYUDHWBXSA-N -1 1 392.414 1.803 20 0 GDADMM C[C@H](NC(=O)[C@H]1C[C@@H]1C(F)F)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571308911 946438030 /nfs/dbraw/zinc/43/80/30/946438030.db2.gz VQTXRJKIQRNZPT-DLOVCJGASA-N -1 1 392.414 1.279 20 0 GDADMM CC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)CC2CC(F)(F)C2)CC1 ZINC001571309031 946440116 /nfs/dbraw/zinc/44/01/16/946440116.db2.gz WCWCGTREXTVLBY-UHFFFAOYSA-N -1 1 392.414 1.885 20 0 GDADMM CC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)CC2CC(F)(F)C2)CC1 ZINC001571309031 946440121 /nfs/dbraw/zinc/44/01/21/946440121.db2.gz WCWCGTREXTVLBY-UHFFFAOYSA-N -1 1 392.414 1.885 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H]3[C@H]2CCCN3C(=O)CC(C)(F)F)n1 ZINC001571309355 946442297 /nfs/dbraw/zinc/44/22/97/946442297.db2.gz YFYJHZYDRDPCMP-CHWSQXEVSA-N -1 1 392.414 1.580 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H]3[C@H]2CCCN3C(=O)CC(C)(F)F)n1 ZINC001571309355 946442307 /nfs/dbraw/zinc/44/23/07/946442307.db2.gz YFYJHZYDRDPCMP-CHWSQXEVSA-N -1 1 392.414 1.580 20 0 GDADMM CC(C)Cc1ccccc1C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571310995 946481286 /nfs/dbraw/zinc/48/12/86/946481286.db2.gz PGALUTXSEIIGHC-UHFFFAOYSA-N -1 1 392.467 1.818 20 0 GDADMM CC(C)Cc1ccccc1C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571310995 946481293 /nfs/dbraw/zinc/48/12/93/946481293.db2.gz PGALUTXSEIIGHC-UHFFFAOYSA-N -1 1 392.467 1.818 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@H]2CCN(C(=O)Cc3ccccc3C)C2)n1 ZINC001571314683 946543131 /nfs/dbraw/zinc/54/31/31/946543131.db2.gz AAARZPBXXZYELJ-INIZCTEOSA-N -1 1 392.467 1.553 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@H]2CCN(C(=O)Cc3ccccc3C)C2)n1 ZINC001571314683 946543139 /nfs/dbraw/zinc/54/31/39/946543139.db2.gz AAARZPBXXZYELJ-INIZCTEOSA-N -1 1 392.467 1.553 20 0 GDADMM Cc1cccc(CCC(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@@H]2C)c1 ZINC001571316891 946591834 /nfs/dbraw/zinc/59/18/34/946591834.db2.gz PCZIYXGBZXVQOE-HOCLYGCPSA-N -1 1 392.467 1.999 20 0 GDADMM Cc1cccc(CCC(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@@H]2C)c1 ZINC001571316891 946591846 /nfs/dbraw/zinc/59/18/46/946591846.db2.gz PCZIYXGBZXVQOE-HOCLYGCPSA-N -1 1 392.467 1.999 20 0 GDADMM Cn1ccc(C(=O)N[C@H]2CCCN(c3snc(Cl)c3-c3nnn[n-]3)C2)c1 ZINC001571317546 946613373 /nfs/dbraw/zinc/61/33/73/946613373.db2.gz LYZYQMPYPRDDJF-JTQLQIEISA-N -1 1 392.876 1.714 20 0 GDADMM Cn1ccc(C(=O)N[C@H]2CCCN(c3snc(Cl)c3-c3nn[n-]n3)C2)c1 ZINC001571317546 946613384 /nfs/dbraw/zinc/61/33/84/946613384.db2.gz LYZYQMPYPRDDJF-JTQLQIEISA-N -1 1 392.876 1.714 20 0 GDADMM Brc1cc(CNc2n[nH]cc2-c2nnn[n-]2)cc2c1OCCO2 ZINC001573279334 946637444 /nfs/dbraw/zinc/63/74/44/946637444.db2.gz GHFJGBIZPAFXMU-UHFFFAOYSA-N -1 1 378.190 1.736 20 0 GDADMM Brc1cc(CNc2n[nH]cc2-c2nn[n-]n2)cc2c1OCCO2 ZINC001573279334 946637447 /nfs/dbraw/zinc/63/74/47/946637447.db2.gz GHFJGBIZPAFXMU-UHFFFAOYSA-N -1 1 378.190 1.736 20 0 GDADMM Brc1cc2ncnc(NCCn3cnc(-c4nn[n-]n4)n3)c2s1 ZINC001573279617 946646501 /nfs/dbraw/zinc/64/65/01/946646501.db2.gz KKFNPLIGCSNYDP-UHFFFAOYSA-N -1 1 393.234 1.338 20 0 GDADMM CC(=O)Nc1ccccc1CC(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001573548204 946845906 /nfs/dbraw/zinc/84/59/06/946845906.db2.gz FWPDQVGZQAYIBF-UHFFFAOYSA-N -1 1 386.362 1.962 20 0 GDADMM CC(=O)Nc1ccccc1CC(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001573548204 946845916 /nfs/dbraw/zinc/84/59/16/946845916.db2.gz FWPDQVGZQAYIBF-UHFFFAOYSA-N -1 1 386.362 1.962 20 0 GDADMM CC[C@@](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)(C(=O)OC)c1ccccc1 ZINC000825133810 947090785 /nfs/dbraw/zinc/09/07/85/947090785.db2.gz QFAUBRSMNAUHBJ-SFHVURJKSA-N -1 1 384.396 1.300 20 0 GDADMM CC[C@@](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)(C(=O)OC)c1ccccc1 ZINC000825133810 947090794 /nfs/dbraw/zinc/09/07/94/947090794.db2.gz QFAUBRSMNAUHBJ-SFHVURJKSA-N -1 1 384.396 1.300 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)c1-c1nn[n-]n1 ZINC000825565626 947225324 /nfs/dbraw/zinc/22/53/24/947225324.db2.gz WTTRQHSYPGJXNM-ZDUSSCGKSA-N -1 1 397.439 1.734 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)N2CCC[C@H]3CCCC[C@@H]32)c1-c1nn[n-]n1 ZINC000825565208 947225400 /nfs/dbraw/zinc/22/54/00/947225400.db2.gz NXLKWHXHDPJUHK-OCCSQVGLSA-N -1 1 387.444 1.421 20 0 GDADMM CCOC(=O)c1cnn(Cc2nc3cc(F)ccc3n2CC)c1-c1nn[n-]n1 ZINC000825569936 947227729 /nfs/dbraw/zinc/22/77/29/947227729.db2.gz CGWLHQYQWNSIMO-UHFFFAOYSA-N -1 1 384.375 1.797 20 0 GDADMM CCOc1ccc(C(=O)N(C)C)cc1NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825632455 947268129 /nfs/dbraw/zinc/26/81/29/947268129.db2.gz SNGIYSLKBOZELT-UHFFFAOYSA-N -1 1 399.411 1.445 20 0 GDADMM CCOc1ccc(C(=O)N(C)C)cc1NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825632455 947268138 /nfs/dbraw/zinc/26/81/38/947268138.db2.gz SNGIYSLKBOZELT-UHFFFAOYSA-N -1 1 399.411 1.445 20 0 GDADMM CCOc1cccc([C@H]2C[C@@H]2NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000825649354 947272765 /nfs/dbraw/zinc/27/27/65/947272765.db2.gz PLWPSESVOKNWHJ-ZBFHGGJFSA-N -1 1 386.437 1.495 20 0 GDADMM CCOc1cccc([C@H]2C[C@@H]2NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000825649354 947272776 /nfs/dbraw/zinc/27/27/76/947272776.db2.gz PLWPSESVOKNWHJ-ZBFHGGJFSA-N -1 1 386.437 1.495 20 0 GDADMM C[C@@H](C(=O)N(C)[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1)c1cccc(F)c1 ZINC001573587304 947305564 /nfs/dbraw/zinc/30/55/64/947305564.db2.gz ZHZQVIYJCUYHMY-NWDGAFQWSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@@H](C(=O)N(C)[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1)c1cccc(F)c1 ZINC001573587304 947305578 /nfs/dbraw/zinc/30/55/78/947305578.db2.gz ZHZQVIYJCUYHMY-NWDGAFQWSA-N -1 1 384.419 1.858 20 0 GDADMM CCc1nc(N)sc1C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000825750067 947317069 /nfs/dbraw/zinc/31/70/69/947317069.db2.gz KLKOJYWQOWUCPK-UHFFFAOYSA-N -1 1 391.413 1.473 20 0 GDADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1nccnc1-c1nnn[n-]1)n1cccc1 ZINC001573591839 947323585 /nfs/dbraw/zinc/32/35/85/947323585.db2.gz GKVPBARKGLCENH-ZDUSSCGKSA-N -1 1 383.460 1.616 20 0 GDADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1nccnc1-c1nn[n-]n1)n1cccc1 ZINC001573591839 947323599 /nfs/dbraw/zinc/32/35/99/947323599.db2.gz GKVPBARKGLCENH-ZDUSSCGKSA-N -1 1 383.460 1.616 20 0 GDADMM C[C@H](C(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573593357 947367254 /nfs/dbraw/zinc/36/72/54/947367254.db2.gz RWQDQEJUHUFZNJ-RYUDHWBXSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@@H](C(=O)N(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)C(F)(F)F ZINC001573593477 947370287 /nfs/dbraw/zinc/37/02/87/947370287.db2.gz JVCVUTZIDLNNLV-KWQFWETISA-N -1 1 384.366 1.504 20 0 GDADMM C[C@@H](C(=O)N(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)C(F)(F)F ZINC001573593477 947370299 /nfs/dbraw/zinc/37/02/99/947370299.db2.gz JVCVUTZIDLNNLV-KWQFWETISA-N -1 1 384.366 1.504 20 0 GDADMM C[C@@H](C(=O)N(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)c1ccco1 ZINC001573593599 947373303 /nfs/dbraw/zinc/37/33/03/947373303.db2.gz KXPIBFYTOUNXQY-RISCZKNCSA-N -1 1 382.428 1.702 20 0 GDADMM C[C@@H](C(=O)N(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)c1ccco1 ZINC001573593599 947373312 /nfs/dbraw/zinc/37/33/12/947373312.db2.gz KXPIBFYTOUNXQY-RISCZKNCSA-N -1 1 382.428 1.702 20 0 GDADMM C[C@@H](C(=O)N(C)CCNc1ccnc(-c2nn[n-]n2)n1)c1c(F)cccc1F ZINC001573602901 947473350 /nfs/dbraw/zinc/47/33/50/947473350.db2.gz BHJNCXHGLMRGDR-SNVBAGLBSA-N -1 1 388.382 1.031 20 0 GDADMM COc1ccc(C[C@H](C)NC(=O)Cc2noc(C)c2-c2nnn[n-]2)cc1OC ZINC000826191621 947585831 /nfs/dbraw/zinc/58/58/31/947585831.db2.gz LMSVPBQOWHXBEJ-JTQLQIEISA-N -1 1 386.412 1.470 20 0 GDADMM COc1ccc(C[C@H](C)NC(=O)Cc2noc(C)c2-c2nn[n-]n2)cc1OC ZINC000826191621 947585836 /nfs/dbraw/zinc/58/58/36/947585836.db2.gz LMSVPBQOWHXBEJ-JTQLQIEISA-N -1 1 386.412 1.470 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573614814 947592861 /nfs/dbraw/zinc/59/28/61/947592861.db2.gz HMYIRTINTTZTKU-VXGBXAGGSA-N -1 1 384.469 1.204 20 0 GDADMM C=Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cncc(-c3nnn[n-]3)n2)cc1 ZINC001573350809 947604133 /nfs/dbraw/zinc/60/41/33/947604133.db2.gz HKLVLCQFTKWZNM-IYBDPMFKSA-N -1 1 388.435 1.793 20 0 GDADMM C=Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cncc(-c3nn[n-]n3)n2)cc1 ZINC001573350809 947604137 /nfs/dbraw/zinc/60/41/37/947604137.db2.gz HKLVLCQFTKWZNM-IYBDPMFKSA-N -1 1 388.435 1.793 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)C(C)(F)F ZINC001573615589 947606621 /nfs/dbraw/zinc/60/66/21/947606621.db2.gz SUVFPZOGHLKUJQ-MXWKQRLJSA-N -1 1 378.387 1.128 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)C(C)(F)F ZINC001573615589 947606628 /nfs/dbraw/zinc/60/66/28/947606628.db2.gz SUVFPZOGHLKUJQ-MXWKQRLJSA-N -1 1 378.387 1.128 20 0 GDADMM C=Cc1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001573352172 947628647 /nfs/dbraw/zinc/62/86/47/947628647.db2.gz XFEJMZXKBUNGRN-MLGOLLRUSA-N -1 1 376.424 1.872 20 0 GDADMM C=Cc1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001573352172 947628654 /nfs/dbraw/zinc/62/86/54/947628654.db2.gz XFEJMZXKBUNGRN-MLGOLLRUSA-N -1 1 376.424 1.872 20 0 GDADMM C[C@H](C(=O)N1CC[C@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573616924 947629788 /nfs/dbraw/zinc/62/97/88/947629788.db2.gz ZGJTZLYRWXXHHH-ORAYPTAESA-N -1 1 384.488 1.555 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)cc1 ZINC001573354357 947632962 /nfs/dbraw/zinc/63/29/62/947632962.db2.gz BFQNDLRAINWTTC-HNNXBMFYSA-N -1 1 390.451 1.946 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)cc1 ZINC001573354357 947632964 /nfs/dbraw/zinc/63/29/64/947632964.db2.gz BFQNDLRAINWTTC-HNNXBMFYSA-N -1 1 390.451 1.946 20 0 GDADMM COc1cccc(C[C@@H]2CCCN2C(=O)Cc2noc(C)c2-c2nnn[n-]2)c1 ZINC000826216011 947634459 /nfs/dbraw/zinc/63/44/59/947634459.db2.gz GRDDPNVYSJOJMU-AWEZNQCLSA-N -1 1 382.424 1.948 20 0 GDADMM COc1cccc(C[C@@H]2CCCN2C(=O)Cc2noc(C)c2-c2nn[n-]n2)c1 ZINC000826216011 947634466 /nfs/dbraw/zinc/63/44/66/947634466.db2.gz GRDDPNVYSJOJMU-AWEZNQCLSA-N -1 1 382.424 1.948 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001573617512 947639058 /nfs/dbraw/zinc/63/90/58/947639058.db2.gz PLJDQBNEYLMFMZ-VHSXEESVSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001573617512 947639069 /nfs/dbraw/zinc/63/90/69/947639069.db2.gz PLJDQBNEYLMFMZ-VHSXEESVSA-N -1 1 384.366 1.506 20 0 GDADMM C=Cc1ccc(C(=O)N2C[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]3C2)cc1 ZINC001573355316 947641742 /nfs/dbraw/zinc/64/17/42/947641742.db2.gz NSGVUOLMUZXEQH-IYBDPMFKSA-N -1 1 388.435 1.508 20 0 GDADMM C=Cc1ccc(C(=O)N2C[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]3C2)cc1 ZINC001573355316 947641744 /nfs/dbraw/zinc/64/17/44/947641744.db2.gz NSGVUOLMUZXEQH-IYBDPMFKSA-N -1 1 388.435 1.508 20 0 GDADMM C[C@H](C(=O)N1CCC(CNc2nccnc2-c2nnn[n-]2)CC1)[C@H]1CCCO1 ZINC001573617995 947645778 /nfs/dbraw/zinc/64/57/78/947645778.db2.gz OJGWKLFPXKUOHW-GXTWGEPZSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H](C(=O)N1CCC(CNc2nccnc2-c2nn[n-]n2)CC1)[C@H]1CCCO1 ZINC001573617995 947645784 /nfs/dbraw/zinc/64/57/84/947645784.db2.gz OJGWKLFPXKUOHW-GXTWGEPZSA-N -1 1 386.460 1.122 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001573355948 947648587 /nfs/dbraw/zinc/64/85/87/947648587.db2.gz TWHVCRVDTWTLKW-HNNXBMFYSA-N -1 1 376.424 1.699 20 0 GDADMM C[C@@H](C(=O)N1CCC(N(C)c2ccc(-c3nnn[n-]3)nn2)CC1)C1CCCC1 ZINC001573618815 947654390 /nfs/dbraw/zinc/65/43/90/947654390.db2.gz SISJXNIFCOJOLE-CYBMUJFWSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](C(=O)N1CCC(N(C)c2ccc(-c3nn[n-]n3)nn2)CC1)C1CCCC1 ZINC001573618815 947654399 /nfs/dbraw/zinc/65/43/99/947654399.db2.gz SISJXNIFCOJOLE-CYBMUJFWSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](C(=O)N1CCC(N(C)c2nccnc2-c2nnn[n-]2)CC1)C(F)(F)F ZINC001573619214 947662445 /nfs/dbraw/zinc/66/24/45/947662445.db2.gz UVQQDMQHIGJUGJ-SECBINFHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@H](C(=O)N1CCC(N(C)c2nccnc2-c2nn[n-]n2)CC1)C(F)(F)F ZINC001573619214 947662452 /nfs/dbraw/zinc/66/24/52/947662452.db2.gz UVQQDMQHIGJUGJ-SECBINFHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H](C(=O)N1CCC(CNc2nccnc2-c2nnn[n-]2)CC1)C(C)(F)F ZINC001573619257 947663366 /nfs/dbraw/zinc/66/33/66/947663366.db2.gz VFHMWSQEPBBHAM-JTQLQIEISA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H](C(=O)N1CCC(CNc2nccnc2-c2nn[n-]n2)CC1)C(C)(F)F ZINC001573619257 947663378 /nfs/dbraw/zinc/66/33/78/947663378.db2.gz VFHMWSQEPBBHAM-JTQLQIEISA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H](C(=O)N1CCC(O)(CNc2ccc(-c3nnn[n-]3)nn2)CC1)C(C)(C)C ZINC001573623826 947693024 /nfs/dbraw/zinc/69/30/24/947693024.db2.gz IRLXHVJMGBRUSJ-LBPRGKRZSA-N -1 1 388.476 1.104 20 0 GDADMM C[C@@H](C(=O)N1CCC(O)(CNc2ccc(-c3nn[n-]n3)nn2)CC1)C(C)(C)C ZINC001573623826 947693034 /nfs/dbraw/zinc/69/30/34/947693034.db2.gz IRLXHVJMGBRUSJ-LBPRGKRZSA-N -1 1 388.476 1.104 20 0 GDADMM C/C(=C/C(=O)N1CCCC[C@@H]1[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573363986 947715602 /nfs/dbraw/zinc/71/56/02/947715602.db2.gz OTGCVLPFPZXTKN-ODLDAVEWSA-N -1 1 382.472 1.616 20 0 GDADMM C/C(=C/C(=O)NC1(CNc2cnc(-c3nnn[n-]3)cn2)CCOCC1)C1CC1 ZINC001573364571 947722880 /nfs/dbraw/zinc/72/28/80/947722880.db2.gz QUEJXTSJRCHVQK-WQLSENKSSA-N -1 1 384.444 1.090 20 0 GDADMM C/C(=C/C(=O)NC1(CNc2cnc(-c3nn[n-]n3)cn2)CCOCC1)C1CC1 ZINC001573364571 947722889 /nfs/dbraw/zinc/72/28/89/947722889.db2.gz QUEJXTSJRCHVQK-WQLSENKSSA-N -1 1 384.444 1.090 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001573627808 947734340 /nfs/dbraw/zinc/73/43/40/947734340.db2.gz CMOGZGAOUFCXRO-UONOGXRCSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001573627808 947734352 /nfs/dbraw/zinc/73/43/52/947734352.db2.gz CMOGZGAOUFCXRO-UONOGXRCSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@@H]1CN(C)c1nccnc1-c1nnn[n-]1)C1CCC1 ZINC001573628287 947751069 /nfs/dbraw/zinc/75/10/69/947751069.db2.gz KHHWOWBCJKPJAR-DZGCQCFKSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@@H]1CN(C)c1nccnc1-c1nn[n-]n1)C1CCC1 ZINC001573628287 947751073 /nfs/dbraw/zinc/75/10/73/947751073.db2.gz KHHWOWBCJKPJAR-DZGCQCFKSA-N -1 1 384.488 1.910 20 0 GDADMM CC(=O)CCCC(=O)N(C)C[C@@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573367199 947754583 /nfs/dbraw/zinc/75/45/83/947754583.db2.gz AMWVNOAFZWAGOZ-MRVPVSSYSA-N -1 1 385.881 1.995 20 0 GDADMM CC(=O)CCCC(=O)N(C)C[C@@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573367199 947754591 /nfs/dbraw/zinc/75/45/91/947754591.db2.gz AMWVNOAFZWAGOZ-MRVPVSSYSA-N -1 1 385.881 1.995 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001573630219 947788480 /nfs/dbraw/zinc/78/84/80/947788480.db2.gz RGJQMBUCIGZLDF-MJBXVCDLSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573630219 947788486 /nfs/dbraw/zinc/78/84/86/947788486.db2.gz RGJQMBUCIGZLDF-MJBXVCDLSA-N -1 1 384.488 1.909 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)[C@@H]1C ZINC001573373527 947795742 /nfs/dbraw/zinc/79/57/42/947795742.db2.gz DDTUBKVNLOUTPD-OLZOCXBDSA-N -1 1 391.501 1.864 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573630794 947797764 /nfs/dbraw/zinc/79/77/64/947797764.db2.gz SGNPOOATNRPKKS-NXEZZACHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H](C(=O)N1CC[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1)C(C)(C)C ZINC001573632102 947809302 /nfs/dbraw/zinc/80/93/02/947809302.db2.gz YZEMQJHUHAVYQQ-DJJJIMSYSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](C(=O)N1CC[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1)C(C)(C)C ZINC001573632102 947809308 /nfs/dbraw/zinc/80/93/08/947809308.db2.gz YZEMQJHUHAVYQQ-DJJJIMSYSA-N -1 1 384.488 1.768 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C12CCC2 ZINC001573375002 947814370 /nfs/dbraw/zinc/81/43/70/947814370.db2.gz LPJIYIRTLHULTA-QWHCGFSZSA-N -1 1 384.444 1.255 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C12CCC2 ZINC001573375002 947814378 /nfs/dbraw/zinc/81/43/78/947814378.db2.gz LPJIYIRTLHULTA-QWHCGFSZSA-N -1 1 384.444 1.255 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573637950 947829010 /nfs/dbraw/zinc/82/90/10/947829010.db2.gz WYJWTSJTZRJFRD-UWVGGRQHSA-N -1 1 384.366 1.070 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@H](Nc2snc(C)c2-c2nn[n-]n2)[C@H]1C ZINC001573376109 947830046 /nfs/dbraw/zinc/83/00/46/947830046.db2.gz WSBASWRNVMOFGD-NEPJUHHUSA-N -1 1 377.474 1.792 20 0 GDADMM Cc1ccc(CN(CCO)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000826287727 947834680 /nfs/dbraw/zinc/83/46/80/947834680.db2.gz ABPCQDIMSJSNBU-UHFFFAOYSA-N -1 1 391.428 1.497 20 0 GDADMM CC(=O)CCCC(=O)N1C[C@@H](C)[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573376910 947844115 /nfs/dbraw/zinc/84/41/15/947844115.db2.gz FDUDBLIMDUDUKE-TZMCWYRMSA-N -1 1 386.460 1.313 20 0 GDADMM CC(=O)CCCC(=O)N1C[C@@H](C)[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573376910 947844123 /nfs/dbraw/zinc/84/41/23/947844123.db2.gz FDUDBLIMDUDUKE-TZMCWYRMSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ccsc1 ZINC001573638961 947845824 /nfs/dbraw/zinc/84/58/24/947845824.db2.gz ZKTCLHJNYNQWCO-AAEUAGOBSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ccsc1 ZINC001573638961 947845826 /nfs/dbraw/zinc/84/58/26/947845826.db2.gz ZKTCLHJNYNQWCO-AAEUAGOBSA-N -1 1 384.469 1.925 20 0 GDADMM CC(=O)CCCC(=O)NC[C@H]1CCCCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001573380285 947856493 /nfs/dbraw/zinc/85/64/93/947856493.db2.gz ADEUBKKRKBDJEC-CQSZACIVSA-N -1 1 386.460 1.281 20 0 GDADMM CC(=O)CCCC(=O)NC[C@H]1CCCCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001573380285 947856504 /nfs/dbraw/zinc/85/65/04/947856504.db2.gz ADEUBKKRKBDJEC-CQSZACIVSA-N -1 1 386.460 1.281 20 0 GDADMM CC(=O)CCCC(=O)NCC1(C)CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573380982 947866541 /nfs/dbraw/zinc/86/65/41/947866541.db2.gz MINVAHFNYBRSEX-UHFFFAOYSA-N -1 1 386.460 1.139 20 0 GDADMM CC(=O)CCCC(=O)NCC1(C)CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573380982 947866545 /nfs/dbraw/zinc/86/65/45/947866545.db2.gz MINVAHFNYBRSEX-UHFFFAOYSA-N -1 1 386.460 1.139 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1)C(F)(F)F ZINC001573647010 947881968 /nfs/dbraw/zinc/88/19/68/947881968.db2.gz AAYDRBQFLWNYNV-KXUCPTDWSA-N -1 1 384.366 1.362 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1)C(F)(F)F ZINC001573647010 947881973 /nfs/dbraw/zinc/88/19/73/947881973.db2.gz AAYDRBQFLWNYNV-KXUCPTDWSA-N -1 1 384.366 1.362 20 0 GDADMM CC(=O)CCCC(=O)NCC[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573383458 947892984 /nfs/dbraw/zinc/89/29/84/947892984.db2.gz RIOCEHJJQIEGMD-CYBMUJFWSA-N -1 1 391.501 1.724 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](CNc2cncc(-c3nnn[n-]3)n2)[C@H](C)C1)n1cccc1 ZINC001573647471 947895337 /nfs/dbraw/zinc/89/53/37/947895337.db2.gz MCRRHHAKIWGCIJ-MGPQQGTHSA-N -1 1 381.444 1.226 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](CNc2cncc(-c3nn[n-]n3)n2)[C@H](C)C1)n1cccc1 ZINC001573647471 947895346 /nfs/dbraw/zinc/89/53/46/947895346.db2.gz MCRRHHAKIWGCIJ-MGPQQGTHSA-N -1 1 381.444 1.226 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CN(c2snc(C)c2-c2nn[n-]n2)C[C@H]1C ZINC001573384850 947909035 /nfs/dbraw/zinc/90/90/35/947909035.db2.gz YQJDQYCUDOWSPW-BXKDBHETSA-N -1 1 377.474 1.332 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1)c1ccsc1 ZINC001573651716 947923840 /nfs/dbraw/zinc/92/38/40/947923840.db2.gz PVMBGPJLMZOTHR-WXHSDQCUSA-N -1 1 382.453 1.311 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@@]2(C)C1)C(C)(F)F ZINC001573651972 947925395 /nfs/dbraw/zinc/92/53/95/947925395.db2.gz SDFRSLAVAOPDNV-UVWXRNBGSA-N -1 1 392.414 1.233 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@@]2(C)C1)C(C)(F)F ZINC001573651972 947925400 /nfs/dbraw/zinc/92/54/00/947925400.db2.gz SDFRSLAVAOPDNV-UVWXRNBGSA-N -1 1 392.414 1.233 20 0 GDADMM C[C@H](C(=O)N[C@@](C)(CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)C(F)(F)F ZINC001573652095 947929017 /nfs/dbraw/zinc/92/90/17/947929017.db2.gz AVVYJVXEGZPIMN-CLAHSXSESA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](C(=O)N[C@@](C)(CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)C(F)(F)F ZINC001573652095 947929025 /nfs/dbraw/zinc/92/90/25/947929025.db2.gz AVVYJVXEGZPIMN-CLAHSXSESA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)c1ccsc1 ZINC001573652457 947938710 /nfs/dbraw/zinc/93/87/10/947938710.db2.gz CIDRPUWJPVVHHX-GXFFZTMASA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)c1ccsc1 ZINC001573652457 947938717 /nfs/dbraw/zinc/93/87/17/947938717.db2.gz CIDRPUWJPVVHHX-GXFFZTMASA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C(C)(C)C)n1cccn1 ZINC001573653277 947955183 /nfs/dbraw/zinc/95/51/83/947955183.db2.gz KHRPXMOEXMXAGG-YPMHNXCESA-N -1 1 384.448 1.057 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C(C)(C)C)n1cccn1 ZINC001573653277 947955193 /nfs/dbraw/zinc/95/51/93/947955193.db2.gz KHRPXMOEXMXAGG-YPMHNXCESA-N -1 1 384.448 1.057 20 0 GDADMM C[C@@H](C(=O)N[C@@](C)(CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)C1CCCC1 ZINC001573654216 947964113 /nfs/dbraw/zinc/96/41/13/947964113.db2.gz PPRZNYIRVUGLAL-BLVKFPJESA-N -1 1 384.488 1.602 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C(C)(C)C)C(C)(F)F ZINC001573655194 947974820 /nfs/dbraw/zinc/97/48/20/947974820.db2.gz WJTWTXYUEKNGSN-VHSXEESVSA-N -1 1 382.419 1.313 20 0 GDADMM C[C@@H](C(=O)NC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)n1cccc1 ZINC001573655994 947984214 /nfs/dbraw/zinc/98/42/14/947984214.db2.gz BBJBFBMUIVRYSP-ZDUSSCGKSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](C(=O)NC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)n1cccc1 ZINC001573655994 947984223 /nfs/dbraw/zinc/98/42/23/947984223.db2.gz BBJBFBMUIVRYSP-ZDUSSCGKSA-N -1 1 381.444 1.195 20 0 GDADMM Cc1onc(CC(=O)N(C)[C@@H](C)CNC(=O)OC(C)(C)C)c1-c1nnn[n-]1 ZINC000826342932 947986924 /nfs/dbraw/zinc/98/69/24/947986924.db2.gz GDOXZKNSLSLEJF-VIFPVBQESA-N -1 1 379.421 1.077 20 0 GDADMM Cc1onc(CC(=O)N(C)[C@@H](C)CNC(=O)OC(C)(C)C)c1-c1nn[n-]n1 ZINC000826342932 947986929 /nfs/dbraw/zinc/98/69/29/947986929.db2.gz GDOXZKNSLSLEJF-VIFPVBQESA-N -1 1 379.421 1.077 20 0 GDADMM C[C@@H](C(=O)NC1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C(C)(F)F ZINC001573659439 948013398 /nfs/dbraw/zinc/01/33/98/948013398.db2.gz VWLJOMBVVMFKND-JTQLQIEISA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](C(=O)NC1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C(C)(F)F ZINC001573659439 948013405 /nfs/dbraw/zinc/01/34/05/948013405.db2.gz VWLJOMBVVMFKND-JTQLQIEISA-N -1 1 380.403 1.423 20 0 GDADMM Cc1onc(CC(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)c1-c1nnn[n-]1 ZINC000826345009 948016716 /nfs/dbraw/zinc/01/67/16/948016716.db2.gz ZENXZZVQCOGFJP-CYBMUJFWSA-N -1 1 397.443 1.387 20 0 GDADMM Cc1onc(CC(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)c1-c1nn[n-]n1 ZINC000826345009 948016726 /nfs/dbraw/zinc/01/67/26/948016726.db2.gz ZENXZZVQCOGFJP-CYBMUJFWSA-N -1 1 397.443 1.387 20 0 GDADMM Cc1onc(CC(=O)N[C@@H]2CCCc3c2cnn3C(C)(C)C)c1-c1nnn[n-]1 ZINC000826346513 948041520 /nfs/dbraw/zinc/04/15/20/948041520.db2.gz ODBWYBDAWABICT-GFCCVEGCSA-N -1 1 384.444 1.851 20 0 GDADMM Cc1onc(CC(=O)N[C@@H]2CCCc3c2cnn3C(C)(C)C)c1-c1nn[n-]n1 ZINC000826346513 948041527 /nfs/dbraw/zinc/04/15/27/948041527.db2.gz ODBWYBDAWABICT-GFCCVEGCSA-N -1 1 384.444 1.851 20 0 GDADMM Cc1onc(CC(=O)N[C@@H]2CCN(C(=O)C3CCCCC3)C2)c1-c1nnn[n-]1 ZINC000826346709 948043760 /nfs/dbraw/zinc/04/37/60/948043760.db2.gz UDGXIXMDFGOGSS-CYBMUJFWSA-N -1 1 387.444 1.003 20 0 GDADMM Cc1onc(CC(=O)N[C@@H]2CCN(C(=O)C3CCCCC3)C2)c1-c1nn[n-]n1 ZINC000826346709 948043770 /nfs/dbraw/zinc/04/37/70/948043770.db2.gz UDGXIXMDFGOGSS-CYBMUJFWSA-N -1 1 387.444 1.003 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2)C(C)(F)F ZINC001573664055 948047268 /nfs/dbraw/zinc/04/72/68/948047268.db2.gz RMZUTRPWQCPOKO-JQWIXIFHSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2)C(C)(F)F ZINC001573664055 948047276 /nfs/dbraw/zinc/04/72/76/948047276.db2.gz RMZUTRPWQCPOKO-JQWIXIFHSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nn1)CC2)C1CCC1 ZINC001573664242 948050724 /nfs/dbraw/zinc/05/07/24/948050724.db2.gz SDQMDFFLEIJWRZ-WFASDCNBSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nn1)CC2)C1CCC1 ZINC001573664242 948050736 /nfs/dbraw/zinc/05/07/36/948050736.db2.gz SDQMDFFLEIJWRZ-WFASDCNBSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cccs1 ZINC001573664826 948063279 /nfs/dbraw/zinc/06/32/79/948063279.db2.gz HAFHMUDICPVWDH-NEPJUHHUSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cccs1 ZINC001573664826 948063290 /nfs/dbraw/zinc/06/32/90/948063290.db2.gz HAFHMUDICPVWDH-NEPJUHHUSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)c1cccs1 ZINC001573665449 948073058 /nfs/dbraw/zinc/07/30/58/948073058.db2.gz KWQRTXNGUWQARJ-NWDGAFQWSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)c1cccs1 ZINC001573665449 948073072 /nfs/dbraw/zinc/07/30/72/948073072.db2.gz KWQRTXNGUWQARJ-NWDGAFQWSA-N -1 1 384.469 1.607 20 0 GDADMM Cc1onc(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1-c1nnn[n-]1 ZINC000826348408 948074357 /nfs/dbraw/zinc/07/43/57/948074357.db2.gz KVSOACFJNLKHQX-UHFFFAOYSA-N -1 1 394.395 1.142 20 0 GDADMM Cc1onc(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1-c1nn[n-]n1 ZINC000826348408 948074366 /nfs/dbraw/zinc/07/43/66/948074366.db2.gz KVSOACFJNLKHQX-UHFFFAOYSA-N -1 1 394.395 1.142 20 0 GDADMM C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1)C1CCC1 ZINC001573665864 948079188 /nfs/dbraw/zinc/07/91/88/948079188.db2.gz NRPOCYOBDCYWRL-JZIBPQBNSA-N -1 1 382.472 1.709 20 0 GDADMM C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1)C1CCC1 ZINC001573665864 948079194 /nfs/dbraw/zinc/07/91/94/948079194.db2.gz NRPOCYOBDCYWRL-JZIBPQBNSA-N -1 1 382.472 1.709 20 0 GDADMM CC(=O)N(Cc1ccccc1)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573413657 948084391 /nfs/dbraw/zinc/08/43/91/948084391.db2.gz CSDAPMZBGLAGHM-MRXNPFEDSA-N -1 1 378.440 1.674 20 0 GDADMM CC(=O)N(Cc1ccccc1)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573413657 948084404 /nfs/dbraw/zinc/08/44/04/948084404.db2.gz CSDAPMZBGLAGHM-MRXNPFEDSA-N -1 1 378.440 1.674 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cccc(F)c1 ZINC001573675135 948119454 /nfs/dbraw/zinc/11/94/54/948119454.db2.gz OZYQIUOEQTXNEC-BXUZGUMPSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cccc(F)c1 ZINC001573675135 948119457 /nfs/dbraw/zinc/11/94/57/948119457.db2.gz OZYQIUOEQTXNEC-BXUZGUMPSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C)C1CCC1 ZINC001573675422 948121487 /nfs/dbraw/zinc/12/14/87/948121487.db2.gz PWMKFKFVUYSCID-SWLSCSKDSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C)C1CCC1 ZINC001573675422 948121492 /nfs/dbraw/zinc/12/14/92/948121492.db2.gz PWMKFKFVUYSCID-SWLSCSKDSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)CC1(C)C)C1CCC1 ZINC001573675376 948121779 /nfs/dbraw/zinc/12/17/79/948121779.db2.gz PTBGMTMEBAAQQO-JSGCOSHPSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)CC1(C)C)C1CCC1 ZINC001573675376 948121781 /nfs/dbraw/zinc/12/17/81/948121781.db2.gz PTBGMTMEBAAQQO-JSGCOSHPSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)NC[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1)c1cccs1 ZINC001573678040 948147028 /nfs/dbraw/zinc/14/70/28/948147028.db2.gz CGACCVKYBRGEFL-JQWIXIFHSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NC[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1)c1cccs1 ZINC001573678040 948147035 /nfs/dbraw/zinc/14/70/35/948147035.db2.gz CGACCVKYBRGEFL-JQWIXIFHSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1)c1cccnc1 ZINC001573678288 948147772 /nfs/dbraw/zinc/14/77/72/948147772.db2.gz CKNTZXORWWWNKR-FZMZJTMJSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@H](C(=O)NC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1)c1cccnc1 ZINC001573678288 948147775 /nfs/dbraw/zinc/14/77/75/948147775.db2.gz CKNTZXORWWWNKR-FZMZJTMJSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@H](C(=O)NC[C@H](Nc1nccnc1-c1nnn[n-]1)C1CC1)c1cccnc1 ZINC001573680313 948176952 /nfs/dbraw/zinc/17/69/52/948176952.db2.gz MYJJYBNBSACJQB-FZMZJTMJSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@H](C(=O)NC[C@H](Nc1nccnc1-c1nn[n-]n1)C1CC1)c1cccnc1 ZINC001573680313 948176961 /nfs/dbraw/zinc/17/69/61/948176961.db2.gz MYJJYBNBSACJQB-FZMZJTMJSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@H](C(=O)N[C@@H]1COC2(CN(Cc3ccc(-c4nn[n-]n4)s3)C2)C1)C1CC1 ZINC001573681660 948209560 /nfs/dbraw/zinc/20/95/60/948209560.db2.gz YQGKKILKCYEQCT-AAEUAGOBSA-N -1 1 388.497 1.434 20 0 GDADMM CC(=O)N1CCC(CNc2ccc(-c3nnn[n-]3)nn2)(c2ccccc2)CC1 ZINC001573434521 948214909 /nfs/dbraw/zinc/21/49/09/948214909.db2.gz ULBJLPXFNSKJSC-UHFFFAOYSA-N -1 1 378.440 1.649 20 0 GDADMM CC(=O)N1CCC(CNc2ccc(-c3nn[n-]n3)nn2)(c2ccccc2)CC1 ZINC001573434521 948214919 /nfs/dbraw/zinc/21/49/19/948214919.db2.gz ULBJLPXFNSKJSC-UHFFFAOYSA-N -1 1 378.440 1.649 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCCC1)C1CCCC1 ZINC001573691438 948243522 /nfs/dbraw/zinc/24/35/22/948243522.db2.gz HAHWXXJILBAHQB-CYBMUJFWSA-N -1 1 384.488 1.746 20 0 GDADMM C[C@H](C(=O)NC[C@]1(C)CCCN(c2nccnc2-c2nnn[n-]2)C1)C1CCC1 ZINC001573692518 948267718 /nfs/dbraw/zinc/26/77/18/948267718.db2.gz PPBFWYRLAPHKEF-DJJJIMSYSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NC[C@]1(C)CCCN(c2nccnc2-c2nn[n-]n2)C1)C1CCC1 ZINC001573692518 948267728 /nfs/dbraw/zinc/26/77/28/948267728.db2.gz PPBFWYRLAPHKEF-DJJJIMSYSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NC[C@@]1(C)CN(c2nccnc2-c2nnn[n-]2)CCO1)C(C)(C)C ZINC001573693799 948288156 /nfs/dbraw/zinc/28/81/56/948288156.db2.gz UDASZDGRKPHFCX-XIKOKIGWSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@H](C(=O)NC[C@@]1(C)CN(c2nccnc2-c2nn[n-]n2)CCO1)C(C)(C)C ZINC001573693799 948288168 /nfs/dbraw/zinc/28/81/68/948288168.db2.gz UDASZDGRKPHFCX-XIKOKIGWSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1)c1cccc(F)c1 ZINC001573696752 948334670 /nfs/dbraw/zinc/33/46/70/948334670.db2.gz WSYQYXMHUQOWHL-LLVKDONJSA-N -1 1 382.403 1.660 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1)c1cccc(F)c1 ZINC001573696752 948334675 /nfs/dbraw/zinc/33/46/75/948334675.db2.gz WSYQYXMHUQOWHL-LLVKDONJSA-N -1 1 382.403 1.660 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N1CCOCC2(CC2)C1 ZINC000826458472 948339866 /nfs/dbraw/zinc/33/98/66/948339866.db2.gz RGUMSLKEGMGFIY-UHFFFAOYSA-N -1 1 398.402 1.836 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1)C(C)(F)F ZINC001573704016 948362088 /nfs/dbraw/zinc/36/20/88/948362088.db2.gz NYULWGNVCMFZKU-QWRGUYRKSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1)C(C)(F)F ZINC001573704016 948362096 /nfs/dbraw/zinc/36/20/96/948362096.db2.gz NYULWGNVCMFZKU-QWRGUYRKSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1)C1CC1 ZINC001573705083 948391618 /nfs/dbraw/zinc/39/16/18/948391618.db2.gz CPKJWRVBADYKFW-YPMHNXCESA-N -1 1 376.486 1.291 20 0 GDADMM C[C@H](C(=O)NCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C1CCCC1 ZINC001573706779 948424305 /nfs/dbraw/zinc/42/43/05/948424305.db2.gz LXVOFDMLYATMJL-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C1CCCC1 ZINC001573706779 948424312 /nfs/dbraw/zinc/42/43/12/948424312.db2.gz LXVOFDMLYATMJL-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccsc1 ZINC001573706956 948426021 /nfs/dbraw/zinc/42/60/21/948426021.db2.gz MOTTVEHCAMUHNQ-NWDGAFQWSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccsc1 ZINC001573706956 948426027 /nfs/dbraw/zinc/42/60/27/948426027.db2.gz MOTTVEHCAMUHNQ-NWDGAFQWSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@H](C(=O)NCCC1(CNc2cncc(-c3nnn[n-]3)n2)CC1)C(C)(F)F ZINC001573706922 948427200 /nfs/dbraw/zinc/42/72/00/948427200.db2.gz LQNDWOFQTNKELO-SNVBAGLBSA-N -1 1 380.403 1.646 20 0 GDADMM C[C@H](C(=O)NCCC1(CNc2cncc(-c3nn[n-]n3)n2)CC1)C(C)(F)F ZINC001573706922 948427202 /nfs/dbraw/zinc/42/72/02/948427202.db2.gz LQNDWOFQTNKELO-SNVBAGLBSA-N -1 1 380.403 1.646 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCCO1)C(C)(C)C ZINC001573707867 948439592 /nfs/dbraw/zinc/43/95/92/948439592.db2.gz QEGQHAYJOHEDSG-STQMWFEESA-N -1 1 388.476 1.050 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCCO1)C(C)(C)C ZINC001573707867 948439601 /nfs/dbraw/zinc/43/96/01/948439601.db2.gz QEGQHAYJOHEDSG-STQMWFEESA-N -1 1 388.476 1.050 20 0 GDADMM C[C@H](C(=O)NCC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001573714675 948474785 /nfs/dbraw/zinc/47/47/85/948474785.db2.gz INRMJKXVGIWDRC-NXEZZACHSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@H](C(=O)NCC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001573714675 948474787 /nfs/dbraw/zinc/47/47/87/948474787.db2.gz INRMJKXVGIWDRC-NXEZZACHSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@H](C(=O)NCC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001573714985 948480147 /nfs/dbraw/zinc/48/01/47/948480147.db2.gz MLFFLKMOQCHCCS-CHWSQXEVSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@@H](C(=O)NCC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001573714985 948480152 /nfs/dbraw/zinc/48/01/52/948480152.db2.gz MLFFLKMOQCHCCS-CHWSQXEVSA-N -1 1 382.428 1.386 20 0 GDADMM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]c2cc(-c3nn[nH]n3)ccc2F)o1 ZINC001275483323 948496352 /nfs/dbraw/zinc/49/63/52/948496352.db2.gz KGVWLGVIFVGHHO-UHFFFAOYSA-N -1 1 380.361 1.101 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C)C(C)(F)F ZINC001573725609 948544244 /nfs/dbraw/zinc/54/42/44/948544244.db2.gz CHEDULKKLDNHKG-GMTAPVOTSA-N -1 1 380.403 1.137 20 0 GDADMM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cccnc1 ZINC001573728669 948563785 /nfs/dbraw/zinc/56/37/85/948563785.db2.gz QITGWPXLEXADMG-SGMGOOAPSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573728669 948563793 /nfs/dbraw/zinc/56/37/93/948563793.db2.gz QITGWPXLEXADMG-SGMGOOAPSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@@H](C(=O)NCc1ccc(CCNc2nccnc2-c2nnn[n-]2)cc1)C1CC1 ZINC001573729067 948566240 /nfs/dbraw/zinc/56/62/40/948566240.db2.gz FWEJLHVYQOSNRT-CYBMUJFWSA-N -1 1 392.467 1.974 20 0 GDADMM C[C@@H](C(=O)NCc1ccc(CCNc2nccnc2-c2nn[n-]n2)cc1)C1CC1 ZINC001573729067 948566246 /nfs/dbraw/zinc/56/62/46/948566246.db2.gz FWEJLHVYQOSNRT-CYBMUJFWSA-N -1 1 392.467 1.974 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H](C)c1ccc(F)cc1F ZINC001573730592 948582568 /nfs/dbraw/zinc/58/25/68/948582568.db2.gz ACHAAVREAMKDPB-UWVGGRQHSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H](C)c1ccc(F)cc1F ZINC001573730592 948582575 /nfs/dbraw/zinc/58/25/75/948582575.db2.gz ACHAAVREAMKDPB-UWVGGRQHSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@@H](C(=O)N[C@@H](C)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C1CCC1 ZINC001573731228 948588757 /nfs/dbraw/zinc/58/87/57/948588757.db2.gz FRAUHLGUCMMLSI-OLZOCXBDSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001573740790 948642979 /nfs/dbraw/zinc/64/29/79/948642979.db2.gz SRIDTBJXOCVFQX-SJQPAMGKSA-N -1 1 382.350 1.081 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573740790 948642983 /nfs/dbraw/zinc/64/29/83/948642983.db2.gz SRIDTBJXOCVFQX-SJQPAMGKSA-N -1 1 382.350 1.081 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CC1)c1ccco1 ZINC001573747434 948691147 /nfs/dbraw/zinc/69/11/47/948691147.db2.gz UPUVYGSCWWRSGO-JHJVBQTASA-N -1 1 382.428 1.893 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CC1)c1ccco1 ZINC001573747434 948691152 /nfs/dbraw/zinc/69/11/52/948691152.db2.gz UPUVYGSCWWRSGO-JHJVBQTASA-N -1 1 382.428 1.893 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cccc(F)c1 ZINC001573753039 948715851 /nfs/dbraw/zinc/71/58/51/948715851.db2.gz QQXPFHCXYZTELB-LERXQTSPSA-N -1 1 382.403 1.659 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cccc(F)c1 ZINC001573753039 948715855 /nfs/dbraw/zinc/71/58/55/948715855.db2.gz QQXPFHCXYZTELB-LERXQTSPSA-N -1 1 382.403 1.659 20 0 GDADMM CC(C)c1ccc(C(=O)NC[C@@H](C)N(C)c2ccnc(-c3nn[n-]n3)n2)cn1 ZINC001574416149 948744478 /nfs/dbraw/zinc/74/44/78/948744478.db2.gz PPRRBMRCPQRFFB-GFCCVEGCSA-N -1 1 381.444 1.430 20 0 GDADMM CC(C)[C@H](F)C(=O)N1CC[C@@]2(C1)CCCN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001574075660 948746239 /nfs/dbraw/zinc/74/62/39/948746239.db2.gz YJTUMDPGDXCAQY-KSSFIOAISA-N -1 1 388.451 1.470 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCCC[C@H]2CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001575221804 948751231 /nfs/dbraw/zinc/75/12/31/948751231.db2.gz CWWNMYGTCZKEMI-NSHDSACASA-N -1 1 392.414 1.885 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCCC[C@H]2CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001575221804 948751240 /nfs/dbraw/zinc/75/12/40/948751240.db2.gz CWWNMYGTCZKEMI-NSHDSACASA-N -1 1 392.414 1.885 20 0 GDADMM C[C@@H](CNC(=O)CCc1cc(F)ccc1F)Nc1nccnc1-c1nnn[n-]1 ZINC001574914608 948751505 /nfs/dbraw/zinc/75/15/05/948751505.db2.gz LGAREFMHWUPJLY-JTQLQIEISA-N -1 1 388.382 1.484 20 0 GDADMM C[C@@H](CNC(=O)CCc1cc(F)ccc1F)Nc1nccnc1-c1nn[n-]n1 ZINC001574914608 948751512 /nfs/dbraw/zinc/75/15/12/948751512.db2.gz LGAREFMHWUPJLY-JTQLQIEISA-N -1 1 388.382 1.484 20 0 GDADMM CC(C)c1ccc(C(=O)NC[C@H](C)N(C)c2ccc(-c3nnn[n-]3)nn2)nc1 ZINC001574416589 948752911 /nfs/dbraw/zinc/75/29/11/948752911.db2.gz ZAEULVVSVBHNLU-LBPRGKRZSA-N -1 1 381.444 1.430 20 0 GDADMM CC(C)c1ccc(C(=O)NC[C@H](C)N(C)c2ccc(-c3nn[n-]n3)nn2)nc1 ZINC001574416589 948752926 /nfs/dbraw/zinc/75/29/26/948752926.db2.gz ZAEULVVSVBHNLU-LBPRGKRZSA-N -1 1 381.444 1.430 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccsc1Cl ZINC001574678558 948753826 /nfs/dbraw/zinc/75/38/26/948753826.db2.gz GYQMQFRCOQWPOX-QMMMGPOBSA-N -1 1 378.849 1.992 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccsc1Cl ZINC001574678558 948753839 /nfs/dbraw/zinc/75/38/39/948753839.db2.gz GYQMQFRCOQWPOX-QMMMGPOBSA-N -1 1 378.849 1.992 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CCc2cccnc21 ZINC001574678722 948757450 /nfs/dbraw/zinc/75/74/50/948757450.db2.gz IHRJFCUUOGIBDV-WCQYABFASA-N -1 1 379.428 1.088 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCc2cccnc21 ZINC001574678722 948757461 /nfs/dbraw/zinc/75/74/61/948757461.db2.gz IHRJFCUUOGIBDV-WCQYABFASA-N -1 1 379.428 1.088 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ocnc1C(F)F ZINC001574678797 948759067 /nfs/dbraw/zinc/75/90/67/948759067.db2.gz IWOGWTPRDVVOAE-ZETCQYMHSA-N -1 1 379.331 1.203 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ocnc1C(F)F ZINC001574678797 948759080 /nfs/dbraw/zinc/75/90/80/948759080.db2.gz IWOGWTPRDVVOAE-ZETCQYMHSA-N -1 1 379.331 1.203 20 0 GDADMM CC(C)c1ncncc1C(=O)N[C@H](C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001574678950 948763602 /nfs/dbraw/zinc/76/36/02/948763602.db2.gz LBCYSFDPCASOQZ-LLVKDONJSA-N -1 1 382.432 1.191 20 0 GDADMM CC(C)c1ncncc1C(=O)N[C@H](C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001574678950 948763614 /nfs/dbraw/zinc/76/36/14/948763614.db2.gz LBCYSFDPCASOQZ-LLVKDONJSA-N -1 1 382.432 1.191 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001574679083 948766403 /nfs/dbraw/zinc/76/64/03/948766403.db2.gz NECMIAKQUWAYSI-YUELXQCFSA-N -1 1 378.440 1.767 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001574679083 948766414 /nfs/dbraw/zinc/76/64/14/948766414.db2.gz NECMIAKQUWAYSI-YUELXQCFSA-N -1 1 378.440 1.767 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)Cc1ccc(Cl)s1 ZINC001574679092 948766913 /nfs/dbraw/zinc/76/69/13/948766913.db2.gz NIFFUDWLGGLVOX-SECBINFHSA-N -1 1 392.876 1.921 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)Cc1ccc(Cl)s1 ZINC001574679092 948766926 /nfs/dbraw/zinc/76/69/26/948766926.db2.gz NIFFUDWLGGLVOX-SECBINFHSA-N -1 1 392.876 1.921 20 0 GDADMM C[C@@H](CNC(=O)CCc1ccccc1F)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574915757 948770452 /nfs/dbraw/zinc/77/04/52/948770452.db2.gz XLAVAOUGVYAJJE-LBPRGKRZSA-N -1 1 384.419 1.370 20 0 GDADMM C[C@@H](CNC(=O)CCc1ccccc1F)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574915757 948770465 /nfs/dbraw/zinc/77/04/65/948770465.db2.gz XLAVAOUGVYAJJE-LBPRGKRZSA-N -1 1 384.419 1.370 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001574679321 948777005 /nfs/dbraw/zinc/77/70/05/948777005.db2.gz SRJAZVGJZWPKTM-KWCYVHTRSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001574679321 948777012 /nfs/dbraw/zinc/77/70/12/948777012.db2.gz SRJAZVGJZWPKTM-KWCYVHTRSA-N -1 1 379.428 1.162 20 0 GDADMM CC(F)(F)CC(=O)N1C[C@@]2(C)CN(c3nccnc3-c3nnn[n-]3)C[C@@]2(C)C1 ZINC001575225090 948797933 /nfs/dbraw/zinc/79/79/33/948797933.db2.gz WBNOQVUTTMAFMB-IYBDPMFKSA-N -1 1 392.414 1.377 20 0 GDADMM CC(F)(F)CC(=O)N1C[C@@]2(C)CN(c3nccnc3-c3nn[n-]n3)C[C@@]2(C)C1 ZINC001575225090 948797953 /nfs/dbraw/zinc/79/79/53/948797953.db2.gz WBNOQVUTTMAFMB-IYBDPMFKSA-N -1 1 392.414 1.377 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575225774 948811553 /nfs/dbraw/zinc/81/15/53/948811553.db2.gz FDSRKBBWHANUNJ-NSHDSACASA-N -1 1 380.403 1.165 20 0 GDADMM CC(C)c1ccoc1C(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001574421560 948819696 /nfs/dbraw/zinc/81/96/96/948819696.db2.gz MIRANHBWVCVIIS-AWEZNQCLSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1ccoc1C(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001574421560 948819718 /nfs/dbraw/zinc/81/97/18/948819718.db2.gz MIRANHBWVCVIIS-AWEZNQCLSA-N -1 1 382.428 1.994 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@@]2(C1)CCCN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001575226584 948822072 /nfs/dbraw/zinc/82/20/72/948822072.db2.gz NRFFRTWXQRZLEH-KRWDZBQOSA-N -1 1 392.414 1.521 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@@]2(C1)CCCN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001575226584 948822088 /nfs/dbraw/zinc/82/20/88/948822088.db2.gz NRFFRTWXQRZLEH-KRWDZBQOSA-N -1 1 392.414 1.521 20 0 GDADMM C[C@H](CNC(=O)CCCc1cccnc1)CNc1nccnc1-c1nnn[n-]1 ZINC001574917782 948828731 /nfs/dbraw/zinc/82/87/31/948828731.db2.gz BIMLKTNIDABWIM-CYBMUJFWSA-N -1 1 381.444 1.239 20 0 GDADMM C[C@H](CNC(=O)CCCc1cccnc1)CNc1nccnc1-c1nn[n-]n1 ZINC001574917782 948828749 /nfs/dbraw/zinc/82/87/49/948828749.db2.gz BIMLKTNIDABWIM-CYBMUJFWSA-N -1 1 381.444 1.239 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cccc2cnccc21 ZINC001574682240 948833582 /nfs/dbraw/zinc/83/35/82/948833582.db2.gz QOIPVTGWTFTION-LBPRGKRZSA-N -1 1 389.423 1.825 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cccc2cnccc21 ZINC001574682240 948833604 /nfs/dbraw/zinc/83/36/04/948833604.db2.gz QOIPVTGWTFTION-LBPRGKRZSA-N -1 1 389.423 1.825 20 0 GDADMM CC(F)(F)CC(=O)NCCC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575229181 948843380 /nfs/dbraw/zinc/84/33/80/948843380.db2.gz DILIACUJXCQHAN-LLVKDONJSA-N -1 1 380.403 1.567 20 0 GDADMM CC(F)(F)CC(=O)NCCC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575229181 948843392 /nfs/dbraw/zinc/84/33/92/948843392.db2.gz DILIACUJXCQHAN-LLVKDONJSA-N -1 1 380.403 1.567 20 0 GDADMM CC(C)(C(=O)N(CCO)CCNc1cnc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573762640 948856748 /nfs/dbraw/zinc/85/67/48/948856748.db2.gz WIKWEMGLKBQODS-UHFFFAOYSA-N -1 1 388.476 1.106 20 0 GDADMM CC(C)(C(=O)N(CCO)CCNc1cnc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573762640 948856765 /nfs/dbraw/zinc/85/67/65/948856765.db2.gz WIKWEMGLKBQODS-UHFFFAOYSA-N -1 1 388.476 1.106 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1)C1CCC1 ZINC001573762732 948859817 /nfs/dbraw/zinc/85/98/17/948859817.db2.gz ZVPIZULSWXHDIP-OKILXGFUSA-N -1 1 382.472 1.663 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1)C1CCC1 ZINC001573762732 948859835 /nfs/dbraw/zinc/85/98/35/948859835.db2.gz ZVPIZULSWXHDIP-OKILXGFUSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](CNC(=O)CCCc1cccnc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574918831 948861544 /nfs/dbraw/zinc/86/15/44/948861544.db2.gz RGTVRBKBWVHWTQ-CYBMUJFWSA-N -1 1 381.444 1.016 20 0 GDADMM C[C@H](CNC(=O)CCCc1cccnc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574918831 948861569 /nfs/dbraw/zinc/86/15/69/948861569.db2.gz RGTVRBKBWVHWTQ-CYBMUJFWSA-N -1 1 381.444 1.016 20 0 GDADMM CC(C)c1nc(C(=O)NCCCN(C)c2cnc(-c3nnn[n-]3)cn2)cs1 ZINC001574425254 948870567 /nfs/dbraw/zinc/87/05/67/948870567.db2.gz BLMDMQHSXOKQIQ-UHFFFAOYSA-N -1 1 387.473 1.493 20 0 GDADMM CC(C)c1nc(C(=O)NCCCN(C)c2cnc(-c3nn[n-]n3)cn2)cs1 ZINC001574425254 948870580 /nfs/dbraw/zinc/87/05/80/948870580.db2.gz BLMDMQHSXOKQIQ-UHFFFAOYSA-N -1 1 387.473 1.493 20 0 GDADMM CC(C)(C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cnc(-c2nnn[n-]2)cn1)C(F)F ZINC001573763718 948870669 /nfs/dbraw/zinc/87/06/69/948870669.db2.gz GISMSTMHMXLTQK-NEPJUHHUSA-N -1 1 392.414 1.518 20 0 GDADMM CC(C)(C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cnc(-c2nn[n-]n2)cn1)C(F)F ZINC001573763718 948870688 /nfs/dbraw/zinc/87/06/88/948870688.db2.gz GISMSTMHMXLTQK-NEPJUHHUSA-N -1 1 392.414 1.518 20 0 GDADMM C[C@H](CNC(=O)CCCc1cccs1)CNc1nccnc1-c1nnn[n-]1 ZINC001574919435 948879175 /nfs/dbraw/zinc/87/91/75/948879175.db2.gz ZHGVOVKUIWIVSA-GFCCVEGCSA-N -1 1 386.485 1.905 20 0 GDADMM C[C@H](CNC(=O)CCCc1cccs1)CNc1nccnc1-c1nn[n-]n1 ZINC001574919435 948879202 /nfs/dbraw/zinc/87/92/02/948879202.db2.gz ZHGVOVKUIWIVSA-GFCCVEGCSA-N -1 1 386.485 1.905 20 0 GDADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@@]1(C)CCOC1 ZINC001574684674 948883384 /nfs/dbraw/zinc/88/33/84/948883384.db2.gz KOAYXEUPAMEJEP-RTHLEPHNSA-N -1 1 385.881 1.710 20 0 GDADMM CC(C)(C(=O)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001573764601 948888314 /nfs/dbraw/zinc/88/83/14/948888314.db2.gz OYPDUYNLXPCPFO-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)(C(=O)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573764601 948888339 /nfs/dbraw/zinc/88/83/39/948888339.db2.gz OYPDUYNLXPCPFO-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)c1nc([C@@H]2CCCCN2C(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)no1 ZINC001574426638 948891684 /nfs/dbraw/zinc/89/16/84/948891684.db2.gz UNXPCRAGQLETCZ-QWRGUYRKSA-N -1 1 386.420 1.279 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001575234346 948899460 /nfs/dbraw/zinc/89/94/60/948899460.db2.gz BCNWOPYIHDXEQS-RYUDHWBXSA-N -1 1 392.414 1.662 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575234357 948900157 /nfs/dbraw/zinc/90/01/57/948900157.db2.gz BHGWDMXYLHDFBN-NSHDSACASA-N -1 1 380.403 1.165 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)s1 ZINC001574427389 948903894 /nfs/dbraw/zinc/90/38/94/948903894.db2.gz DITNWMNHSZDNBS-MGCOHNPYSA-N -1 1 385.457 1.610 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)s1 ZINC001574427389 948903905 /nfs/dbraw/zinc/90/39/05/948903905.db2.gz DITNWMNHSZDNBS-MGCOHNPYSA-N -1 1 385.457 1.610 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)NCC1(C)CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574088037 948907056 /nfs/dbraw/zinc/90/70/56/948907056.db2.gz ABKZDEHIOGMTGK-KBPBESRZSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)NCC1(C)CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574088037 948907073 /nfs/dbraw/zinc/90/70/73/948907073.db2.gz ABKZDEHIOGMTGK-KBPBESRZSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)c1ccn(C)n1 ZINC001574685800 948923099 /nfs/dbraw/zinc/92/30/99/948923099.db2.gz ZVYZKDUMRSCKAX-ZETCQYMHSA-N -1 1 381.853 1.331 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)c1ccn(C)n1 ZINC001574685800 948923101 /nfs/dbraw/zinc/92/31/01/948923101.db2.gz ZVYZKDUMRSCKAX-ZETCQYMHSA-N -1 1 381.853 1.331 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1)C1CC1 ZINC001573765769 948923197 /nfs/dbraw/zinc/92/31/97/948923197.db2.gz FHJNARSTCFSUAL-OLZOCXBDSA-N -1 1 382.472 1.378 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1)C1CC1 ZINC001573765769 948923201 /nfs/dbraw/zinc/92/32/01/948923201.db2.gz FHJNARSTCFSUAL-OLZOCXBDSA-N -1 1 382.472 1.378 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@@](C)(CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575236059 948932903 /nfs/dbraw/zinc/93/29/03/948932903.db2.gz UHBZDTXGYUCUJA-HNNXBMFYSA-N -1 1 380.403 1.743 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@@](C)(CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575236059 948932910 /nfs/dbraw/zinc/93/29/10/948932910.db2.gz UHBZDTXGYUCUJA-HNNXBMFYSA-N -1 1 380.403 1.743 20 0 GDADMM CC(C)c1ncsc1C(=O)NCC[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574432723 948937785 /nfs/dbraw/zinc/93/77/85/948937785.db2.gz CECNOGJYCVDQJL-JTQLQIEISA-N -1 1 387.473 1.279 20 0 GDADMM CC(C)(C(=O)N[C@@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C12CCC2)C1CC1 ZINC001573771512 948942871 /nfs/dbraw/zinc/94/28/71/948942871.db2.gz JHSWLXBIXHZLPM-CHWSQXEVSA-N -1 1 382.472 1.932 20 0 GDADMM CC(C)(C(=O)N[C@@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C12CCC2)C1CC1 ZINC001573771512 948942887 /nfs/dbraw/zinc/94/28/87/948942887.db2.gz JHSWLXBIXHZLPM-CHWSQXEVSA-N -1 1 382.472 1.932 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1CCCC1 ZINC001573771874 948946513 /nfs/dbraw/zinc/94/65/13/948946513.db2.gz NCLGEWAWHKQBIQ-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1CCCC1 ZINC001573771874 948946521 /nfs/dbraw/zinc/94/65/21/948946521.db2.gz NCLGEWAWHKQBIQ-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)C(F)(F)F ZINC001573771913 948948897 /nfs/dbraw/zinc/94/88/97/948948897.db2.gz OAVJUYDTDLQBRS-VIFPVBQESA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)(C(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)C(F)(F)F ZINC001573771913 948948906 /nfs/dbraw/zinc/94/89/06/948948906.db2.gz OAVJUYDTDLQBRS-VIFPVBQESA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001573771894 948950363 /nfs/dbraw/zinc/95/03/63/948950363.db2.gz NSPJFVXGAUSIBB-HNNXBMFYSA-N -1 1 392.467 1.720 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N[C@H](C)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574433780 948962877 /nfs/dbraw/zinc/96/28/77/948962877.db2.gz QCYNDRAHQHSNQH-GHMZBOCLSA-N -1 1 384.448 1.133 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N[C@H](C)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574433780 948962887 /nfs/dbraw/zinc/96/28/87/948962887.db2.gz QCYNDRAHQHSNQH-GHMZBOCLSA-N -1 1 384.448 1.133 20 0 GDADMM CC(C)c1ncncc1C(=O)N[C@H](C)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574433649 948965165 /nfs/dbraw/zinc/96/51/65/948965165.db2.gz ZTAQDWFTHUQBTO-WDEREUQCSA-N -1 1 382.432 1.189 20 0 GDADMM CC(C)c1ncncc1C(=O)N[C@H](C)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574433649 948965173 /nfs/dbraw/zinc/96/51/73/948965173.db2.gz ZTAQDWFTHUQBTO-WDEREUQCSA-N -1 1 382.432 1.189 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)C(C)(C)[C@@H]1CCCCO1 ZINC001574688910 948973166 /nfs/dbraw/zinc/97/31/66/948973166.db2.gz BYRNGIYPWOFDBO-OLZOCXBDSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)C(C)(C)[C@@H]1CCCCO1 ZINC001574688910 948973175 /nfs/dbraw/zinc/97/31/75/948973175.db2.gz BYRNGIYPWOFDBO-OLZOCXBDSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)N1CCC(CN(C)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574089957 948973551 /nfs/dbraw/zinc/97/35/51/948973551.db2.gz GSQDRDVSXVUKFF-GJZGRUSLSA-N -1 1 384.488 1.624 20 0 GDADMM CC(C)(C(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1)C1CCCC1 ZINC001573773156 948975936 /nfs/dbraw/zinc/97/59/36/948975936.db2.gz IHTFPXADOFPZGZ-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1)C1CCCC1 ZINC001573773156 948975946 /nfs/dbraw/zinc/97/59/46/948975946.db2.gz IHTFPXADOFPZGZ-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)c1nnc(N2CCc3[nH]c(=O)c(-c4nn[n-]n4)cc3C2)n1[C@H]1C[C@H]1C ZINC001574435654 948999649 /nfs/dbraw/zinc/99/96/49/948999649.db2.gz XAILQSHFYKRDQA-YGRLFVJLSA-N -1 1 381.444 1.826 20 0 GDADMM CC(C)c1nnsc1C(=O)N(C)[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574439155 949001227 /nfs/dbraw/zinc/00/12/27/949001227.db2.gz BAWXJHSPXYEYCX-VIFPVBQESA-N -1 1 388.461 1.204 20 0 GDADMM CC(C)c1nnsc1C(=O)N(C)[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574439155 949001237 /nfs/dbraw/zinc/00/12/37/949001237.db2.gz BAWXJHSPXYEYCX-VIFPVBQESA-N -1 1 388.461 1.204 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)C(C)(C)CC(F)(F)F ZINC001574691262 949016917 /nfs/dbraw/zinc/01/69/17/949016917.db2.gz VQGPRDBHRMGOKR-VIFPVBQESA-N -1 1 386.382 1.942 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)C(C)(C)CC(F)(F)F ZINC001574691262 949016936 /nfs/dbraw/zinc/01/69/36/949016936.db2.gz VQGPRDBHRMGOKR-VIFPVBQESA-N -1 1 386.382 1.942 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)C(C)(C)C1CCOCC1 ZINC001574691282 949018659 /nfs/dbraw/zinc/01/86/59/949018659.db2.gz WBLVEQLUCGCXDB-LBPRGKRZSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)C(C)(C)C1CCOCC1 ZINC001574691282 949018679 /nfs/dbraw/zinc/01/86/79/949018679.db2.gz WBLVEQLUCGCXDB-LBPRGKRZSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CCCCC1(F)F ZINC001574691275 949019083 /nfs/dbraw/zinc/01/90/83/949019083.db2.gz VZAFKCBIYKJVIY-GHMZBOCLSA-N -1 1 380.403 1.789 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CCCCC1(F)F ZINC001574691275 949019103 /nfs/dbraw/zinc/01/91/03/949019103.db2.gz VZAFKCBIYKJVIY-GHMZBOCLSA-N -1 1 380.403 1.789 20 0 GDADMM CC(C)[C@@]1(C)C[C@H]1C(=O)N1CCC(CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574091641 949021348 /nfs/dbraw/zinc/02/13/48/949021348.db2.gz PRLCEEUPLMSZRN-IFXJQAMLSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)[C@@]1(C)C[C@H]1C(=O)N1CCC(CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574091641 949021357 /nfs/dbraw/zinc/02/13/57/949021357.db2.gz PRLCEEUPLMSZRN-IFXJQAMLSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)[C@]1(C)C[C@@H]1C(=O)N1CCC(CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574091670 949024311 /nfs/dbraw/zinc/02/43/11/949024311.db2.gz QAYPPIGQFKSWFA-KUHUBIRLSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)[C@]1(C)C[C@@H]1C(=O)N1CCC(CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574091670 949024330 /nfs/dbraw/zinc/02/43/30/949024330.db2.gz QAYPPIGQFKSWFA-KUHUBIRLSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)(C(=O)NC[C@H](O)CNc1cncc(-c2nnn[n-]2)n1)C1CCCCC1 ZINC001573775651 949044088 /nfs/dbraw/zinc/04/40/88/949044088.db2.gz ZHMQJMGDPGZOBX-CYBMUJFWSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)(C(=O)NC[C@H](O)CNc1cncc(-c2nn[n-]n2)n1)C1CCCCC1 ZINC001573775651 949044110 /nfs/dbraw/zinc/04/41/10/949044110.db2.gz ZHMQJMGDPGZOBX-CYBMUJFWSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)c1nocc1C(=O)N(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574441074 949047972 /nfs/dbraw/zinc/04/79/72/949047972.db2.gz AUFVZOPCDCOCOZ-NSHDSACASA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1nocc1C(=O)N(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574441074 949047991 /nfs/dbraw/zinc/04/79/91/949047991.db2.gz AUFVZOPCDCOCOZ-NSHDSACASA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1occc1C(=O)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001574441538 949062204 /nfs/dbraw/zinc/06/22/04/949062204.db2.gz OIRKWDMGLOKTSP-LBPRGKRZSA-N -1 1 382.428 1.947 20 0 GDADMM CC(C)c1occc1C(=O)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001574441538 949062221 /nfs/dbraw/zinc/06/22/21/949062221.db2.gz OIRKWDMGLOKTSP-LBPRGKRZSA-N -1 1 382.428 1.947 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)C1CCC1 ZINC001573779664 949065718 /nfs/dbraw/zinc/06/57/18/949065718.db2.gz LQLUELVNQFJGSN-ZSOGYDGISA-N -1 1 382.472 1.281 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)C1CCC1 ZINC001573779664 949065734 /nfs/dbraw/zinc/06/57/34/949065734.db2.gz LQLUELVNQFJGSN-ZSOGYDGISA-N -1 1 382.472 1.281 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)c1ccnn1C ZINC001574694531 949080345 /nfs/dbraw/zinc/08/03/45/949080345.db2.gz QTNKWCSVGRGGRS-ZETCQYMHSA-N -1 1 381.853 1.331 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)c1ccnn1C ZINC001574694531 949080364 /nfs/dbraw/zinc/08/03/64/949080364.db2.gz QTNKWCSVGRGGRS-ZETCQYMHSA-N -1 1 381.853 1.331 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001574442001 949085179 /nfs/dbraw/zinc/08/51/79/949085179.db2.gz IRIHHYOMFLTKBD-LLVKDONJSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001574442001 949085198 /nfs/dbraw/zinc/08/51/98/949085198.db2.gz IRIHHYOMFLTKBD-LLVKDONJSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1nocc1C(=O)N1CC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001574442047 949090854 /nfs/dbraw/zinc/09/08/54/949090854.db2.gz KHVFGYSPNBKBTO-LLVKDONJSA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1nocc1C(=O)N1CC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001574442047 949090872 /nfs/dbraw/zinc/09/08/72/949090872.db2.gz KHVFGYSPNBKBTO-LLVKDONJSA-N -1 1 383.416 1.119 20 0 GDADMM C[C@H](CN(C)C(=O)C(C)(C)[C@@H]1CCCCO1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574694744 949090775 /nfs/dbraw/zinc/09/07/75/949090775.db2.gz VWLSRHNQHFYMAW-OCCSQVGLSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CN(C)C(=O)C(C)(C)[C@@H]1CCCCO1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574694744 949090797 /nfs/dbraw/zinc/09/07/97/949090797.db2.gz VWLSRHNQHFYMAW-OCCSQVGLSA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001574442471 949100926 /nfs/dbraw/zinc/10/09/26/949100926.db2.gz PTOUFHQBDIUZGZ-LLVKDONJSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001574442471 949100935 /nfs/dbraw/zinc/10/09/35/949100935.db2.gz PTOUFHQBDIUZGZ-LLVKDONJSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1occc1C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001574446108 949120179 /nfs/dbraw/zinc/12/01/79/949120179.db2.gz IVTLHDRFWLKMNZ-DGCLKSJQSA-N -1 1 382.428 1.628 20 0 GDADMM CC(C)c1occc1C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001574446108 949120196 /nfs/dbraw/zinc/12/01/96/949120196.db2.gz IVTLHDRFWLKMNZ-DGCLKSJQSA-N -1 1 382.428 1.628 20 0 GDADMM CC(C)(C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573782504 949125122 /nfs/dbraw/zinc/12/51/22/949125122.db2.gz AMFXIQMNEMWJEO-MQMHXKEQSA-N -1 1 384.488 1.602 20 0 GDADMM CC(C)(C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001573782865 949137362 /nfs/dbraw/zinc/13/73/62/949137362.db2.gz MBLDCWIDSMQDLQ-KYZUINATSA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)(C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001573782865 949137372 /nfs/dbraw/zinc/13/73/72/949137372.db2.gz MBLDCWIDSMQDLQ-KYZUINATSA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)c1occc1C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574446825 949140413 /nfs/dbraw/zinc/14/04/13/949140413.db2.gz XRJPZFWUEWLVBS-LBPRGKRZSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1occc1C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574446825 949140423 /nfs/dbraw/zinc/14/04/23/949140423.db2.gz XRJPZFWUEWLVBS-LBPRGKRZSA-N -1 1 382.428 1.772 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)COCC1CC1 ZINC001574696837 949142892 /nfs/dbraw/zinc/14/28/92/949142892.db2.gz VOYRAIICBGHWTB-QMMMGPOBSA-N -1 1 385.881 1.710 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)COCC1CC1 ZINC001574696837 949142901 /nfs/dbraw/zinc/14/29/01/949142901.db2.gz VOYRAIICBGHWTB-QMMMGPOBSA-N -1 1 385.881 1.710 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)[C@@H]1CCCCO1 ZINC001574696844 949143284 /nfs/dbraw/zinc/14/32/84/949143284.db2.gz VQTWQJDTNSHIEM-BDAKNGLRSA-N -1 1 385.881 1.852 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@@H]1CCCCO1 ZINC001574696844 949143291 /nfs/dbraw/zinc/14/32/91/949143291.db2.gz VQTWQJDTNSHIEM-BDAKNGLRSA-N -1 1 385.881 1.852 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cccc2c1OCC2 ZINC001574697059 949145325 /nfs/dbraw/zinc/14/53/25/949145325.db2.gz XXFDCMDFBKZAQS-LLVKDONJSA-N -1 1 380.412 1.212 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cccc2c1OCC2 ZINC001574697059 949145346 /nfs/dbraw/zinc/14/53/46/949145346.db2.gz XXFDCMDFBKZAQS-LLVKDONJSA-N -1 1 380.412 1.212 20 0 GDADMM C[C@H](NC(=O)C1(C(F)(F)F)CCC1)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575251865 949153378 /nfs/dbraw/zinc/15/33/78/949153378.db2.gz OTWSAABBYVAGHK-IUCAKERBSA-N -1 1 384.366 1.116 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@@H](Nc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001574447299 949154580 /nfs/dbraw/zinc/15/45/80/949154580.db2.gz KITZEIODMDRTRX-LLVKDONJSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@@H](Nc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001574447299 949154594 /nfs/dbraw/zinc/15/45/94/949154594.db2.gz KITZEIODMDRTRX-LLVKDONJSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)(C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CC1)C(F)F ZINC001573787131 949167995 /nfs/dbraw/zinc/16/79/95/949167995.db2.gz PKCFDILRJWFBCN-MGCOHNPYSA-N -1 1 380.403 1.787 20 0 GDADMM CC(C)(C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CC1)C(F)F ZINC001573787131 949168003 /nfs/dbraw/zinc/16/80/03/949168003.db2.gz PKCFDILRJWFBCN-MGCOHNPYSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@H](NC(=O)C1(c2cccnc2)CC1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575253181 949183553 /nfs/dbraw/zinc/18/35/53/949183553.db2.gz JCNBQQPDNKCWHF-RYUDHWBXSA-N -1 1 379.428 1.089 20 0 GDADMM C[C@H](NC(=O)C1(c2cccnc2)CC1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575253181 949183538 /nfs/dbraw/zinc/18/35/38/949183538.db2.gz JCNBQQPDNKCWHF-RYUDHWBXSA-N -1 1 379.428 1.089 20 0 GDADMM C[C@@H](NC(=O)C1(F)CCCC1)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575253483 949190985 /nfs/dbraw/zinc/19/09/85/949190985.db2.gz KDBXCMYKTPJLKF-CHWSQXEVSA-N -1 1 388.451 1.660 20 0 GDADMM C[C@@H](NC(=O)C1(F)CCCC1)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575253483 949191002 /nfs/dbraw/zinc/19/10/02/949191002.db2.gz KDBXCMYKTPJLKF-CHWSQXEVSA-N -1 1 388.451 1.660 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H](C)c1ccccc1F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574698813 949207957 /nfs/dbraw/zinc/20/79/57/949207957.db2.gz OWEJHMPTTISWHJ-NEPJUHHUSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H](C)c1ccccc1F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574698813 949207982 /nfs/dbraw/zinc/20/79/82/949207982.db2.gz OWEJHMPTTISWHJ-NEPJUHHUSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(F)c(Cl)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574936604 949217176 /nfs/dbraw/zinc/21/71/76/949217176.db2.gz JJWURSDOGFFKKQ-SECBINFHSA-N -1 1 390.810 1.030 20 0 GDADMM C[C@H](CNC(=O)Cc1c(F)cccc1F)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574936802 949219626 /nfs/dbraw/zinc/21/96/26/949219626.db2.gz KYRIDQJCMGWETG-SNVBAGLBSA-N -1 1 388.382 1.119 20 0 GDADMM C[C@H](CNC(=O)Cc1c(F)cccc1F)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574936802 949219648 /nfs/dbraw/zinc/21/96/48/949219648.db2.gz KYRIDQJCMGWETG-SNVBAGLBSA-N -1 1 388.382 1.119 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001574451237 949221010 /nfs/dbraw/zinc/22/10/10/949221010.db2.gz HXQJANDNKZOZOK-CYBMUJFWSA-N -1 1 385.432 1.635 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001574451237 949221035 /nfs/dbraw/zinc/22/10/35/949221035.db2.gz HXQJANDNKZOZOK-CYBMUJFWSA-N -1 1 385.432 1.635 20 0 GDADMM C[C@@H](NC(=O)C12CC(C(C)(C)C)(C1)C2)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575255592 949238396 /nfs/dbraw/zinc/23/83/96/949238396.db2.gz RDBXGPKAHDMBRN-WYRKNMIISA-N -1 1 384.488 1.600 20 0 GDADMM CC(C)CC(=O)N1CCC([C@H]2CCCN2c2nccnc2-c2nnn[n-]2)CC1 ZINC001574103403 949242876 /nfs/dbraw/zinc/24/28/76/949242876.db2.gz RWBXKGUFQQAURX-OAHLLOKOSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CC(=O)N1CCC([C@H]2CCCN2c2nccnc2-c2nn[n-]n2)CC1 ZINC001574103403 949242898 /nfs/dbraw/zinc/24/28/98/949242898.db2.gz RWBXKGUFQQAURX-OAHLLOKOSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)c1oncc1C(=O)NCC1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574451745 949242830 /nfs/dbraw/zinc/24/28/30/949242830.db2.gz WSVJBDATIPLFAF-UHFFFAOYSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1oncc1C(=O)NCC1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574451745 949242850 /nfs/dbraw/zinc/24/28/50/949242850.db2.gz WSVJBDATIPLFAF-UHFFFAOYSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)n1cc(C(=O)N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)cn1 ZINC001574451935 949246385 /nfs/dbraw/zinc/24/63/85/949246385.db2.gz BDWHFXAFSSDXKT-CYBMUJFWSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1cc(C(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)cn1 ZINC001574451935 949246404 /nfs/dbraw/zinc/24/64/04/949246404.db2.gz BDWHFXAFSSDXKT-CYBMUJFWSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1cc(C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)cn1 ZINC001574452452 949256643 /nfs/dbraw/zinc/25/66/43/949256643.db2.gz JJOJACGQELNMOR-BXUZGUMPSA-N -1 1 382.432 1.007 20 0 GDADMM CC(C)n1cc(C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)cn1 ZINC001574452452 949256657 /nfs/dbraw/zinc/25/66/57/949256657.db2.gz JJOJACGQELNMOR-BXUZGUMPSA-N -1 1 382.432 1.007 20 0 GDADMM C[C@H](CNC(=O)Cc1ccccc1Cl)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574940389 949261760 /nfs/dbraw/zinc/26/17/60/949261760.db2.gz DRNJGEYDNCACFX-NSHDSACASA-N -1 1 386.847 1.717 20 0 GDADMM C[C@H](CNC(=O)Cc1ccccc1Cl)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574940389 949261785 /nfs/dbraw/zinc/26/17/85/949261785.db2.gz DRNJGEYDNCACFX-NSHDSACASA-N -1 1 386.847 1.717 20 0 GDADMM C[C@@H](CN(C)C(=O)C1(c2ccccc2)CC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574701487 949263141 /nfs/dbraw/zinc/26/31/41/949263141.db2.gz BCARHIQQOFTVQP-ZDUSSCGKSA-N -1 1 378.440 1.069 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(F)c1F)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574940547 949266260 /nfs/dbraw/zinc/26/62/60/949266260.db2.gz GVBVXIWEHFHRRC-SNVBAGLBSA-N -1 1 388.382 1.119 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(F)c1F)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574940547 949266273 /nfs/dbraw/zinc/26/62/73/949266273.db2.gz GVBVXIWEHFHRRC-SNVBAGLBSA-N -1 1 388.382 1.119 20 0 GDADMM C[C@H](NC(=O)C1(F)CCCC1)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575257099 949267754 /nfs/dbraw/zinc/26/77/54/949267754.db2.gz YCJIDYLTNWSUKB-QWHCGFSZSA-N -1 1 388.451 1.660 20 0 GDADMM C[C@H](NC(=O)C1(F)CCCC1)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575257099 949267772 /nfs/dbraw/zinc/26/77/72/949267772.db2.gz YCJIDYLTNWSUKB-QWHCGFSZSA-N -1 1 388.451 1.660 20 0 GDADMM C[C@H]1CCC[C@]1(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001576153544 949292287 /nfs/dbraw/zinc/29/22/87/949292287.db2.gz MKRXGCPYBNOWRR-PJHJGJPPSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H]1CCC[C@]1(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001576153544 949292306 /nfs/dbraw/zinc/29/23/06/949292306.db2.gz MKRXGCPYBNOWRR-PJHJGJPPSA-N -1 1 382.472 1.663 20 0 GDADMM CC1=C(C)C[C@](C)(C(=O)N(C)[C@H](C)CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575860198 949295080 /nfs/dbraw/zinc/29/50/80/949295080.db2.gz DFZOKJOKJXKEDS-AUUYWEPGSA-N -1 1 384.488 1.864 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccon1 ZINC001576153693 949296559 /nfs/dbraw/zinc/29/65/59/949296559.db2.gz ABQAYZUNUVEAFE-DIFFPNOSSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccon1 ZINC001576153693 949296577 /nfs/dbraw/zinc/29/65/77/949296577.db2.gz ABQAYZUNUVEAFE-DIFFPNOSSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@H](CN(C)C(=O)[C@]1(C)CCc2ccccc21)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574702842 949298013 /nfs/dbraw/zinc/29/80/13/949298013.db2.gz MRDFASKIJPJOGT-ZUOKHONESA-N -1 1 392.467 1.242 20 0 GDADMM CC1(C(=O)N(CCNc2cncc(-c3nnn[n-]3)n2)CCc2ccccc2)CC1 ZINC001575523607 949302168 /nfs/dbraw/zinc/30/21/68/949302168.db2.gz DAKCTZYWVFIGOV-UHFFFAOYSA-N -1 1 392.467 1.940 20 0 GDADMM CC1(C(=O)N(CCNc2cncc(-c3nn[n-]n3)n2)CCc2ccccc2)CC1 ZINC001575523607 949302201 /nfs/dbraw/zinc/30/22/01/949302201.db2.gz DAKCTZYWVFIGOV-UHFFFAOYSA-N -1 1 392.467 1.940 20 0 GDADMM C[C@H]1CCC[C@@H](C(=O)N(C)C2CCN(c3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001576153855 949303327 /nfs/dbraw/zinc/30/33/27/949303327.db2.gz NMGQQBHYYCDTHI-UONOGXRCSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CCC[C@@H](C(=O)N(C)C2CCN(c3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001576153855 949303345 /nfs/dbraw/zinc/30/33/45/949303345.db2.gz NMGQQBHYYCDTHI-UONOGXRCSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CC(=O)N1CCCC[C@@H]1[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574108830 949306384 /nfs/dbraw/zinc/30/63/84/949306384.db2.gz RSEQHNBQQDMLGR-GDBMZVCRSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CC(=O)N1CCCC[C@@H]1[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574108830 949306408 /nfs/dbraw/zinc/30/64/08/949306408.db2.gz RSEQHNBQQDMLGR-GDBMZVCRSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](NC(=O)C1CC2(C1)CCOCC2)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575258626 949308156 /nfs/dbraw/zinc/30/81/56/949308156.db2.gz IZWIFXVDZMMAFR-RYUDHWBXSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@H](NC(=O)C1CC2(C1)CCOCC2)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575258626 949308178 /nfs/dbraw/zinc/30/81/78/949308178.db2.gz IZWIFXVDZMMAFR-RYUDHWBXSA-N -1 1 386.460 1.169 20 0 GDADMM CC(C)(C)C(=O)N1CCCC[C@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001573794137 949313261 /nfs/dbraw/zinc/31/32/61/949313261.db2.gz AZXDRKBMKBHWFK-LJQANCHMSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)(C)C(=O)N1CCCC[C@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001573794137 949313281 /nfs/dbraw/zinc/31/32/81/949313281.db2.gz AZXDRKBMKBHWFK-LJQANCHMSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@@H]1CCC[C@H]1CC(=O)NC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576154242 949326816 /nfs/dbraw/zinc/32/68/16/949326816.db2.gz CTZRWTCPFZURBN-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCC[C@H]1CC(=O)NC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576154242 949326839 /nfs/dbraw/zinc/32/68/39/949326839.db2.gz CTZRWTCPFZURBN-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](NC(=O)C1CCC(F)(F)CC1)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575259422 949330594 /nfs/dbraw/zinc/33/05/94/949330594.db2.gz OGBUYUKDZFVUPM-NXEZZACHSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@@H](NC(=O)C1CCC(F)(F)CC1)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575259422 949330617 /nfs/dbraw/zinc/33/06/17/949330617.db2.gz OGBUYUKDZFVUPM-NXEZZACHSA-N -1 1 380.403 1.787 20 0 GDADMM CC(C)n1ccc(C(=O)NC2CC(CNc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001574458584 949339895 /nfs/dbraw/zinc/33/98/95/949339895.db2.gz TZUCFZRJZJTDID-UHFFFAOYSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1ccc(C(=O)NC2CC(CNc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001574458584 949339917 /nfs/dbraw/zinc/33/99/17/949339917.db2.gz TZUCFZRJZJTDID-UHFFFAOYSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@H]1CCC[C@@H]1CC(=O)NC1(C)CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001576154562 949347471 /nfs/dbraw/zinc/34/74/71/949347471.db2.gz DWTVCJNIQJQVMR-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCC[C@@H]1CC(=O)NC1(C)CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001576154562 949347489 /nfs/dbraw/zinc/34/74/89/949347489.db2.gz DWTVCJNIQJQVMR-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(C(F)F)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574942309 949350253 /nfs/dbraw/zinc/35/02/53/949350253.db2.gz YEWCCZZINVEMFC-JTQLQIEISA-N -1 1 388.382 1.754 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(C(F)F)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574942309 949350274 /nfs/dbraw/zinc/35/02/74/949350274.db2.gz YEWCCZZINVEMFC-JTQLQIEISA-N -1 1 388.382 1.754 20 0 GDADMM CC(C)(C)C(=O)N1CCCC[C@@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001573797043 949350475 /nfs/dbraw/zinc/35/04/75/949350475.db2.gz YXOGILIVPJZZIL-IBGZPJMESA-N -1 1 384.488 1.912 20 0 GDADMM CC1(C(=O)N(CCO)CCNc2nccnc2-c2nnn[n-]2)CCCCCC1 ZINC001575525874 949353336 /nfs/dbraw/zinc/35/33/36/949353336.db2.gz RWJZEGIMRYTVMK-UHFFFAOYSA-N -1 1 388.476 1.250 20 0 GDADMM CC1(C(=O)N(CCO)CCNc2nccnc2-c2nn[n-]n2)CCCCCC1 ZINC001575525874 949353360 /nfs/dbraw/zinc/35/33/60/949353360.db2.gz RWJZEGIMRYTVMK-UHFFFAOYSA-N -1 1 388.476 1.250 20 0 GDADMM C[C@H](NC(=O)C1=COCCC1)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575260630 949360715 /nfs/dbraw/zinc/36/07/15/949360715.db2.gz WOLMDHDXBQYGOO-STQMWFEESA-N -1 1 384.444 1.072 20 0 GDADMM C[C@H](NC(=O)C1=COCCC1)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575260630 949360737 /nfs/dbraw/zinc/36/07/37/949360737.db2.gz WOLMDHDXBQYGOO-STQMWFEESA-N -1 1 384.444 1.072 20 0 GDADMM C[C@@H](NC(=O)C1=COCCC1)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575260627 949360776 /nfs/dbraw/zinc/36/07/76/949360776.db2.gz WOLMDHDXBQYGOO-CHWSQXEVSA-N -1 1 384.444 1.072 20 0 GDADMM C[C@@H](NC(=O)C1=COCCC1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575260627 949360798 /nfs/dbraw/zinc/36/07/98/949360798.db2.gz WOLMDHDXBQYGOO-CHWSQXEVSA-N -1 1 384.444 1.072 20 0 GDADMM C[C@H](NC(=O)C1=COCCO1)[C@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575260876 949363084 /nfs/dbraw/zinc/36/30/84/949363084.db2.gz YEZVTSQIGSKIJX-BQBZGAKWSA-N -1 1 385.837 1.170 20 0 GDADMM CC(C)n1cccc1C(=O)N(C)C1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574459827 949367828 /nfs/dbraw/zinc/36/78/28/949367828.db2.gz LPKFDRBMBALSQP-UHFFFAOYSA-N -1 1 381.444 1.754 20 0 GDADMM CC(C)n1cccc1C(=O)N(C)C1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574459827 949367851 /nfs/dbraw/zinc/36/78/51/949367851.db2.gz LPKFDRBMBALSQP-UHFFFAOYSA-N -1 1 381.444 1.754 20 0 GDADMM C[C@@H]1CCC[C@@H]1CC(=O)N1CCC(N(C)c2nccnc2-c2nnn[n-]2)CC1 ZINC001576155143 949387018 /nfs/dbraw/zinc/38/70/18/949387018.db2.gz GROKFZFMBUKXKA-ZIAGYGMSSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCC[C@@H]1CC(=O)N1CCC(N(C)c2nccnc2-c2nn[n-]n2)CC1 ZINC001576155143 949387038 /nfs/dbraw/zinc/38/70/38/949387038.db2.gz GROKFZFMBUKXKA-ZIAGYGMSSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2(C(F)F)CC2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575865836 949386992 /nfs/dbraw/zinc/38/69/92/949386992.db2.gz BZQQGOBGCKXYNN-VHSXEESVSA-N -1 1 378.387 1.176 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2(C(F)F)CC2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575865836 949387011 /nfs/dbraw/zinc/38/70/11/949387011.db2.gz BZQQGOBGCKXYNN-VHSXEESVSA-N -1 1 378.387 1.176 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001574463873 949389747 /nfs/dbraw/zinc/38/97/47/949389747.db2.gz DYIDSOKWFJFDQI-CYBMUJFWSA-N -1 1 381.444 1.660 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001574463873 949389767 /nfs/dbraw/zinc/38/97/67/949389767.db2.gz DYIDSOKWFJFDQI-CYBMUJFWSA-N -1 1 381.444 1.660 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cc[nH]c1 ZINC001576155298 949392713 /nfs/dbraw/zinc/39/27/13/949392713.db2.gz HTWRHFFOIZCOKW-KPZWWZAWSA-N -1 1 381.444 1.776 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cc[nH]c1 ZINC001576155298 949392732 /nfs/dbraw/zinc/39/27/32/949392732.db2.gz HTWRHFFOIZCOKW-KPZWWZAWSA-N -1 1 381.444 1.776 20 0 GDADMM C[C@H]1CCCC[C@@H]1C(=O)N(C)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001576155274 949396206 /nfs/dbraw/zinc/39/62/06/949396206.db2.gz HNKPZPUBCUQJRY-ZFWWWQNUSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CCCC[C@@H]1C(=O)N(C)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001576155274 949396230 /nfs/dbraw/zinc/39/62/30/949396230.db2.gz HNKPZPUBCUQJRY-ZFWWWQNUSA-N -1 1 384.488 1.910 20 0 GDADMM CC1(C(=O)N2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C(C)(C)C2)CC(F)(F)C1 ZINC001575528422 949400602 /nfs/dbraw/zinc/40/06/02/949400602.db2.gz VROVTZNFZUERKT-LLVKDONJSA-N -1 1 392.414 1.741 20 0 GDADMM CC1(C(=O)N2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C(C)(C)C2)CC(F)(F)C1 ZINC001575528422 949400612 /nfs/dbraw/zinc/40/06/12/949400612.db2.gz VROVTZNFZUERKT-LLVKDONJSA-N -1 1 392.414 1.741 20 0 GDADMM CC(C)(C)C(=O)NC[C@@H]1c2ccccc2CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001573802054 949406787 /nfs/dbraw/zinc/40/67/87/949406787.db2.gz CXLWLPSAKOYTSU-MRXNPFEDSA-N -1 1 392.467 1.923 20 0 GDADMM CC(C)(C)C(=O)NC[C@@H]1c2ccccc2CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001573802054 949406806 /nfs/dbraw/zinc/40/68/06/949406806.db2.gz CXLWLPSAKOYTSU-MRXNPFEDSA-N -1 1 392.467 1.923 20 0 GDADMM C[C@@]1(C(=O)N2CCC(CNc3nccnc3-c3nnn[n-]3)CC2)CCCOC1 ZINC001575533538 949414895 /nfs/dbraw/zinc/41/48/95/949414895.db2.gz HDPVAUUSUZFLSM-GOSISDBHSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@@]1(C(=O)N2CCC(CNc3nccnc3-c3nn[n-]n3)CC2)CCCOC1 ZINC001575533538 949414921 /nfs/dbraw/zinc/41/49/21/949414921.db2.gz HDPVAUUSUZFLSM-GOSISDBHSA-N -1 1 386.460 1.124 20 0 GDADMM CC1(C(=O)N2CCC(CNc3cncc(-c4nnn[n-]4)n3)CC2)CCOCC1 ZINC001575533239 949415662 /nfs/dbraw/zinc/41/56/62/949415662.db2.gz FVNUQEWQXCSNGE-UHFFFAOYSA-N -1 1 386.460 1.124 20 0 GDADMM CC1(C(=O)N2CCC(CNc3cncc(-c4nn[n-]n4)n3)CC2)CCOCC1 ZINC001575533239 949415683 /nfs/dbraw/zinc/41/56/83/949415683.db2.gz FVNUQEWQXCSNGE-UHFFFAOYSA-N -1 1 386.460 1.124 20 0 GDADMM CC1(C(=O)N2C[C@@H]3CCC[C@H](Nc4cncc(-c5nnn[n-]5)n4)[C@H]3C2)CCC1 ZINC001575534122 949423433 /nfs/dbraw/zinc/42/34/33/949423433.db2.gz JYHSWDFLBWQAMQ-IHRRRGAJSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(C(=O)N2C[C@@H]3CCC[C@H](Nc4cncc(-c5nn[n-]n5)n4)[C@H]3C2)CCC1 ZINC001575534122 949423443 /nfs/dbraw/zinc/42/34/43/949423443.db2.gz JYHSWDFLBWQAMQ-IHRRRGAJSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCC(F)(F)C1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574705626 949434038 /nfs/dbraw/zinc/43/40/38/949434038.db2.gz JILCECJOXKHMRR-WDEREUQCSA-N -1 1 380.403 1.163 20 0 GDADMM C[C@]1(C(=O)N2CCC(CNc3cncc(-c4nnn[n-]4)n3)CC2)CCCOC1 ZINC001575535093 949434791 /nfs/dbraw/zinc/43/47/91/949434791.db2.gz SBRZURVWMGSACB-SFHVURJKSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@]1(C(=O)N2CCC(CNc3cncc(-c4nn[n-]n4)n3)CC2)CCCOC1 ZINC001575535093 949434809 /nfs/dbraw/zinc/43/48/09/949434809.db2.gz SBRZURVWMGSACB-SFHVURJKSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccc[nH]1 ZINC001576156245 949436424 /nfs/dbraw/zinc/43/64/24/949436424.db2.gz MGARESOZRORDNW-KPZWWZAWSA-N -1 1 381.444 1.198 20 0 GDADMM CC(C)n1cccc1C(=O)N1CC[C@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574465649 949444088 /nfs/dbraw/zinc/44/40/88/949444088.db2.gz UQBVTNOSADQYRZ-ZDUSSCGKSA-N -1 1 381.444 1.390 20 0 GDADMM CC(C)n1cccc1C(=O)N1CC[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574465649 949444104 /nfs/dbraw/zinc/44/41/04/949444104.db2.gz UQBVTNOSADQYRZ-ZDUSSCGKSA-N -1 1 381.444 1.390 20 0 GDADMM C[C@H](NC(=O)CC(F)(F)F)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575266183 949472206 /nfs/dbraw/zinc/47/22/06/949472206.db2.gz XTQDRWTTXYYPHN-UWVGGRQHSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(C)C(=O)Nc1nccnc1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001573805843 949474760 /nfs/dbraw/zinc/47/47/60/949474760.db2.gz BAIBRKSNKBNFQE-UHFFFAOYSA-N -1 1 387.429 1.028 20 0 GDADMM CC(C)(C)C(=O)Nc1nccnc1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001573805843 949474777 /nfs/dbraw/zinc/47/47/77/949474777.db2.gz BAIBRKSNKBNFQE-UHFFFAOYSA-N -1 1 387.429 1.028 20 0 GDADMM C[C@@H](NC(=O)CCC1(C)CC1)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575266987 949495926 /nfs/dbraw/zinc/49/59/26/949495926.db2.gz GELAPCKMUZXKEY-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](NC(=O)CCC1(C)CC1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575266987 949495934 /nfs/dbraw/zinc/49/59/34/949495934.db2.gz GELAPCKMUZXKEY-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CN(C)C(=O)C1CCC(F)(F)CC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574708811 949496933 /nfs/dbraw/zinc/49/69/33/949496933.db2.gz XFZHTLUPCHVBMT-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CN(C)C(=O)C1CCC(F)(F)CC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574708811 949496947 /nfs/dbraw/zinc/49/69/47/949496947.db2.gz XFZHTLUPCHVBMT-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](NC(=O)CC1CCCC1)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575267624 949501722 /nfs/dbraw/zinc/50/17/22/949501722.db2.gz IYXNXQYYPWBDHX-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](NC(=O)CC1CCCC1)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575267624 949501736 /nfs/dbraw/zinc/50/17/36/949501736.db2.gz IYXNXQYYPWBDHX-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccc[nH]1 ZINC001576158847 949504957 /nfs/dbraw/zinc/50/49/57/949504957.db2.gz VCBSZJOUFDQLMC-KPZWWZAWSA-N -1 1 381.444 1.776 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccc[nH]1 ZINC001576158847 949504970 /nfs/dbraw/zinc/50/49/70/949504970.db2.gz VCBSZJOUFDQLMC-KPZWWZAWSA-N -1 1 381.444 1.776 20 0 GDADMM C[C@H](CNC(=O)Nc1ccnc(-c2nnn[n-]2)c1)CN(C)C(=O)OC(C)(C)C ZINC001574949858 949514181 /nfs/dbraw/zinc/51/41/81/949514181.db2.gz FLNXHJWJTMSQAE-LLVKDONJSA-N -1 1 390.448 1.886 20 0 GDADMM C[C@H](CNC(=O)Nc1ccnc(-c2nn[n-]n2)c1)CN(C)C(=O)OC(C)(C)C ZINC001574949858 949514199 /nfs/dbraw/zinc/51/41/99/949514199.db2.gz FLNXHJWJTMSQAE-LLVKDONJSA-N -1 1 390.448 1.886 20 0 GDADMM CC1(C(=O)N2CCC[C@H]([C@H]3CCN(c4ccc(-c5nnn[n-]5)nn4)C3)C2)CC1 ZINC001575538217 949519087 /nfs/dbraw/zinc/51/90/87/949519087.db2.gz FCJPYUUPWRYUTI-KBPBESRZSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C(=O)N2CCC[C@H]([C@H]3CCN(c4ccc(-c5nn[n-]n5)nn4)C3)C2)CC1 ZINC001575538217 949519113 /nfs/dbraw/zinc/51/91/13/949519113.db2.gz FCJPYUUPWRYUTI-KBPBESRZSA-N -1 1 382.472 1.522 20 0 GDADMM CC(C)CC(=O)NC[C@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)CCO1 ZINC001574122501 949530585 /nfs/dbraw/zinc/53/05/85/949530585.db2.gz YBGYSAKKWXUMAN-VIFPVBQESA-N -1 1 385.881 1.344 20 0 GDADMM CC(C)CC(=O)NC[C@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)CCO1 ZINC001574122501 949530608 /nfs/dbraw/zinc/53/06/08/949530608.db2.gz YBGYSAKKWXUMAN-VIFPVBQESA-N -1 1 385.881 1.344 20 0 GDADMM C[C@@H](NC(=O)CC1(C(F)(F)F)CC1)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575268795 949531646 /nfs/dbraw/zinc/53/16/46/949531646.db2.gz PGZBKDUTAFPKOP-RKDXNWHRSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](NC(=O)CC1(C(F)(F)F)CC1)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575268795 949531667 /nfs/dbraw/zinc/53/16/67/949531667.db2.gz PGZBKDUTAFPKOP-RKDXNWHRSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@H](CC(=O)N(C)C1CC(Nc2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001574472147 949544470 /nfs/dbraw/zinc/54/44/70/949544470.db2.gz QMZWBSBDZJGBBH-PNESKVBLSA-N -1 1 382.428 1.845 20 0 GDADMM C[C@H](CC(=O)N(C)C1CC(Nc2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001574472147 949544486 /nfs/dbraw/zinc/54/44/86/949544486.db2.gz QMZWBSBDZJGBBH-PNESKVBLSA-N -1 1 382.428 1.845 20 0 GDADMM C[C@@H](CN(C)C(=O)C1Cc2ccccc2C1)Nc1nccnc1-c1nnn[n-]1 ZINC001574711664 949546453 /nfs/dbraw/zinc/54/64/53/949546453.db2.gz KFGZVHYPYZHYPY-LBPRGKRZSA-N -1 1 378.440 1.331 20 0 GDADMM C[C@@H](CN(C)C(=O)C1Cc2ccccc2C1)Nc1nccnc1-c1nn[n-]n1 ZINC001574711664 949546473 /nfs/dbraw/zinc/54/64/73/949546473.db2.gz KFGZVHYPYZHYPY-LBPRGKRZSA-N -1 1 378.440 1.331 20 0 GDADMM C[C@H]1CCCC[C@@H]1OCC(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001576163971 949546990 /nfs/dbraw/zinc/54/69/90/949546990.db2.gz DVAWIDGAZGVMGN-FQUUOJAGSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@H]1CCCC[C@@H]1OCC(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001576163971 949547001 /nfs/dbraw/zinc/54/70/01/949547001.db2.gz DVAWIDGAZGVMGN-FQUUOJAGSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@H]1[C@H](NC(=O)C23CCC(CC2)C3)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575872710 949556264 /nfs/dbraw/zinc/55/62/64/949556264.db2.gz LAYRDGRHIQPOPR-TXCIGDHXSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CCn2cccc2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575873287 949578437 /nfs/dbraw/zinc/57/84/37/949578437.db2.gz AVCRBUBVAIFVAB-KGLIPLIRSA-N -1 1 381.444 1.022 20 0 GDADMM C[C@@H](CC(=O)N(C)CCN(C)c1nccnc1-c1nnn[n-]1)c1ccncc1 ZINC001574476017 949585124 /nfs/dbraw/zinc/58/51/24/949585124.db2.gz FCXNYRJCSSHLGK-ZDUSSCGKSA-N -1 1 381.444 1.140 20 0 GDADMM C[C@@H](CC(=O)N(C)CCN(C)c1nccnc1-c1nn[n-]n1)c1ccncc1 ZINC001574476017 949585149 /nfs/dbraw/zinc/58/51/49/949585149.db2.gz FCXNYRJCSSHLGK-ZDUSSCGKSA-N -1 1 381.444 1.140 20 0 GDADMM CC(C)C[C@@H](C(=O)N[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1)n1ccnc1 ZINC001574125215 949587502 /nfs/dbraw/zinc/58/75/02/949587502.db2.gz OGFUWXFDUXTTOQ-OCCSQVGLSA-N -1 1 384.448 1.057 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CCC(F)(F)F)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575873672 949587919 /nfs/dbraw/zinc/58/79/19/949587919.db2.gz BKPDQSLSBSFGII-NXEZZACHSA-N -1 1 384.366 1.473 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CCC(F)(F)F)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575873672 949587935 /nfs/dbraw/zinc/58/79/35/949587935.db2.gz BKPDQSLSBSFGII-NXEZZACHSA-N -1 1 384.366 1.473 20 0 GDADMM C[C@@H]1CCCC[C@H]1CC(=O)NCCN(c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001576166794 949592376 /nfs/dbraw/zinc/59/23/76/949592376.db2.gz AHWSVZBIDBTCLM-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCCC[C@H]1CC(=O)NCCN(c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001576166794 949592397 /nfs/dbraw/zinc/59/23/97/949592397.db2.gz AHWSVZBIDBTCLM-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1CCc2ccccc2C1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574713153 949600726 /nfs/dbraw/zinc/60/07/26/949600726.db2.gz WBDHPGLWHKGILB-CZUORRHYSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1CCc2ccccc2C1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574713153 949600741 /nfs/dbraw/zinc/60/07/41/949600741.db2.gz WBDHPGLWHKGILB-CZUORRHYSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@@H](CC(=O)N(C)CCNc1ccnc(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC001574476477 949603410 /nfs/dbraw/zinc/60/34/10/949603410.db2.gz DAWCTRVDZXRRJD-LBPRGKRZSA-N -1 1 384.419 1.282 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2CC3(CCC3)C2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575874192 949605519 /nfs/dbraw/zinc/60/55/19/949605519.db2.gz RZDQBAPXHXIRFE-OCCSQVGLSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2CC3(CCC3)C2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575874192 949605537 /nfs/dbraw/zinc/60/55/37/949605537.db2.gz RZDQBAPXHXIRFE-OCCSQVGLSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H](CC(=O)N(C)CCCN(C)c1nccnc1-c1nnn[n-]1)n1cccc1 ZINC001574476594 949612435 /nfs/dbraw/zinc/61/24/35/949612435.db2.gz IPVOAQOGRYSZRS-CQSZACIVSA-N -1 1 383.460 1.394 20 0 GDADMM C[C@H](CC(=O)N(C)CCCN(C)c1nccnc1-c1nn[n-]n1)n1cccc1 ZINC001574476594 949612451 /nfs/dbraw/zinc/61/24/51/949612451.db2.gz IPVOAQOGRYSZRS-CQSZACIVSA-N -1 1 383.460 1.394 20 0 GDADMM C[C@H]1[C@H](NC(=O)Cc2ccccc2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575874391 949612984 /nfs/dbraw/zinc/61/29/84/949612984.db2.gz GGYRLQGHAXWSKZ-DZGCQCFKSA-N -1 1 378.440 1.373 20 0 GDADMM C[C@H]1[C@H](NC(=O)Cc2ccccc2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575874391 949613006 /nfs/dbraw/zinc/61/30/06/949613006.db2.gz GGYRLQGHAXWSKZ-DZGCQCFKSA-N -1 1 378.440 1.373 20 0 GDADMM C[C@@H](NC(=O)CCCc1ccccn1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575271331 949614170 /nfs/dbraw/zinc/61/41/70/949614170.db2.gz JROFMEJGBDIMKA-QWHCGFSZSA-N -1 1 381.444 1.380 20 0 GDADMM C[C@@H](NC(=O)CCCc1ccccn1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575271331 949614179 /nfs/dbraw/zinc/61/41/79/949614179.db2.gz JROFMEJGBDIMKA-QWHCGFSZSA-N -1 1 381.444 1.380 20 0 GDADMM CC1(C(=O)N2CCCC[C@H]2[C@@H]2CCCN2c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001575546816 949614156 /nfs/dbraw/zinc/61/41/56/949614156.db2.gz RVCAWWUZJGNQMF-GJZGRUSLSA-N -1 1 382.472 1.807 20 0 GDADMM CC1(C(=O)N2CCCC[C@H]2[C@@H]2CCCN2c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001575546816 949614168 /nfs/dbraw/zinc/61/41/68/949614168.db2.gz RVCAWWUZJGNQMF-GJZGRUSLSA-N -1 1 382.472 1.807 20 0 GDADMM C[C@@H]1CCCC[C@H]1CC(=O)NCCN(c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001576168219 949630765 /nfs/dbraw/zinc/63/07/65/949630765.db2.gz FHUYSQMHMSLLLL-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCCC[C@H]1CC(=O)NCCN(c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001576168219 949630781 /nfs/dbraw/zinc/63/07/81/949630781.db2.gz FHUYSQMHMSLLLL-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1[C@H](NC(=O)COC2CCCC2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575875465 949632539 /nfs/dbraw/zinc/63/25/39/949632539.db2.gz IISOHAQEXUEYSH-GXTWGEPZSA-N -1 1 386.460 1.089 20 0 GDADMM C[C@H]1[C@H](NC(=O)COC2CCCC2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575875465 949632553 /nfs/dbraw/zinc/63/25/53/949632553.db2.gz IISOHAQEXUEYSH-GXTWGEPZSA-N -1 1 386.460 1.089 20 0 GDADMM C[C@H]1CCCN(C(=O)CC(C)(F)F)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576168457 949639688 /nfs/dbraw/zinc/63/96/88/949639688.db2.gz UQABQVHDZIZVTR-JQWIXIFHSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H]1CCCN(C(=O)CC(C)(F)F)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576168457 949639695 /nfs/dbraw/zinc/63/96/95/949639695.db2.gz UQABQVHDZIZVTR-JQWIXIFHSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H]1CCCN(C(=O)C2CC3(CC3)C2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576168512 949639960 /nfs/dbraw/zinc/63/99/60/949639960.db2.gz UYXFKADNQWJHPE-WFASDCNBSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@H]1CCCN(C(=O)C2CC3(CC3)C2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576168512 949639971 /nfs/dbraw/zinc/63/99/71/949639971.db2.gz UYXFKADNQWJHPE-WFASDCNBSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@H]1CCCC[C@@H]1OCC(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576168824 949650108 /nfs/dbraw/zinc/65/01/08/949650108.db2.gz WDQWNJDHUURAAX-XPCVCDNBSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@H]1CCCC[C@@H]1OCC(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576168824 949650118 /nfs/dbraw/zinc/65/01/18/949650118.db2.gz WDQWNJDHUURAAX-XPCVCDNBSA-N -1 1 386.460 1.311 20 0 GDADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C12CCC(CC1)C2 ZINC001573815943 949667028 /nfs/dbraw/zinc/66/70/28/949667028.db2.gz MEKLMSCNKLAUGI-MLZJXEJWSA-N -1 1 384.488 1.602 20 0 GDADMM C[C@@H]1CCCN(C(=O)Cc2ccco2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576169298 949671388 /nfs/dbraw/zinc/67/13/88/949671388.db2.gz GHZHQUPZNICROJ-DOMZBBRYSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@@H]1CCCN(C(=O)Cc2ccco2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576169298 949671404 /nfs/dbraw/zinc/67/14/04/949671404.db2.gz GHZHQUPZNICROJ-DOMZBBRYSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CCC(F)(F)F)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575878255 949677010 /nfs/dbraw/zinc/67/70/10/949677010.db2.gz OEDPUIPGNUSGHJ-ZJUUUORDSA-N -1 1 384.366 1.473 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CCC(F)(F)F)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575878255 949677019 /nfs/dbraw/zinc/67/70/19/949677019.db2.gz OEDPUIPGNUSGHJ-ZJUUUORDSA-N -1 1 384.366 1.473 20 0 GDADMM C[C@H]1CCCC[C@@H]1OCC(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576169497 949681451 /nfs/dbraw/zinc/68/14/51/949681451.db2.gz YJOAMOSIUANWCT-JSGCOSHPSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H]1CCCC[C@@H]1OCC(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576169497 949681459 /nfs/dbraw/zinc/68/14/59/949681459.db2.gz YJOAMOSIUANWCT-JSGCOSHPSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](CC(=O)N(C)CCCN(C)c1cncc(-c2nnn[n-]2)n1)[C@@H]1CCCO1 ZINC001574477887 949684820 /nfs/dbraw/zinc/68/48/20/949684820.db2.gz WABBADSTQDYGTI-HIFRSBDPSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@H](CC(=O)N(C)CCCN(C)c1cncc(-c2nn[n-]n2)n1)[C@@H]1CCCO1 ZINC001574477887 949684835 /nfs/dbraw/zinc/68/48/35/949684835.db2.gz WABBADSTQDYGTI-HIFRSBDPSA-N -1 1 388.476 1.147 20 0 GDADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1CC2(CCC2)C1 ZINC001573816681 949686452 /nfs/dbraw/zinc/68/64/52/949686452.db2.gz UODSKWLJPWUSEG-ZDUSSCGKSA-N -1 1 384.488 1.602 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CC[C@H]1CCCO1 ZINC001573817142 949693976 /nfs/dbraw/zinc/69/39/76/949693976.db2.gz XNZZZEVDENWBKE-OCCSQVGLSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CC[C@H]1CCCO1 ZINC001573817142 949693993 /nfs/dbraw/zinc/69/39/93/949693993.db2.gz XNZZZEVDENWBKE-OCCSQVGLSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1CC(F)(F)C1 ZINC001573817221 949698945 /nfs/dbraw/zinc/69/89/45/949698945.db2.gz YUPSTLXGKMQNPR-SNVBAGLBSA-N -1 1 380.403 1.067 20 0 GDADMM C[C@H](CC(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574478340 949704725 /nfs/dbraw/zinc/70/47/25/949704725.db2.gz YPCNVTRWTRJFKF-KGLIPLIRSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H](C)NC(=O)CCc1ccc(F)cc1 ZINC001575276133 949709108 /nfs/dbraw/zinc/70/91/08/949709108.db2.gz GUESMGHSIDLMOQ-NWDGAFQWSA-N -1 1 384.419 1.734 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H](C)NC(=O)CCc1ccc(F)cc1 ZINC001575276133 949709121 /nfs/dbraw/zinc/70/91/21/949709121.db2.gz GUESMGHSIDLMOQ-NWDGAFQWSA-N -1 1 384.419 1.734 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CC1CCOCC1 ZINC001573818141 949723564 /nfs/dbraw/zinc/72/35/64/949723564.db2.gz HBSLOEHRMGILKA-AWEZNQCLSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CC1CCOCC1 ZINC001573818141 949723586 /nfs/dbraw/zinc/72/35/86/949723586.db2.gz HBSLOEHRMGILKA-AWEZNQCLSA-N -1 1 388.476 1.416 20 0 GDADMM CC1(C(=O)N2C[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@@]3(C)C2)CCCC1 ZINC001575557640 949726281 /nfs/dbraw/zinc/72/62/81/949726281.db2.gz KDZOXOJMRKRYTA-YJYMSZOUSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C(=O)N2C[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@@]3(C)C2)CCCC1 ZINC001575557640 949726295 /nfs/dbraw/zinc/72/62/95/949726295.db2.gz KDZOXOJMRKRYTA-YJYMSZOUSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H](NC(=O)CCc1ccc(F)cc1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575276749 949729283 /nfs/dbraw/zinc/72/92/83/949729283.db2.gz LAABJKDEDUINCD-NWDGAFQWSA-N -1 1 384.419 1.734 20 0 GDADMM C[C@@H](NC(=O)CCc1ccc(F)cc1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575276749 949729294 /nfs/dbraw/zinc/72/92/94/949729294.db2.gz LAABJKDEDUINCD-NWDGAFQWSA-N -1 1 384.419 1.734 20 0 GDADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H](C)NC(=O)CCc1ccccc1F ZINC001575276935 949735013 /nfs/dbraw/zinc/73/50/13/949735013.db2.gz MZGWFOMDLZVCHR-NEPJUHHUSA-N -1 1 384.419 1.734 20 0 GDADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)CCc1ccccc1F ZINC001575276935 949735026 /nfs/dbraw/zinc/73/50/26/949735026.db2.gz MZGWFOMDLZVCHR-NEPJUHHUSA-N -1 1 384.419 1.734 20 0 GDADMM C[C@H]1CCCC[C@H]1C(=O)NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576170770 949740209 /nfs/dbraw/zinc/74/02/09/949740209.db2.gz MVMKWVUJTYTIQG-DZGCQCFKSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C(C)(C)C(F)F ZINC001573819278 949748277 /nfs/dbraw/zinc/74/82/77/949748277.db2.gz SHDCZHOFLZCADR-SNVBAGLBSA-N -1 1 382.419 1.891 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C(C)(C)C(F)F ZINC001573819278 949748291 /nfs/dbraw/zinc/74/82/91/949748291.db2.gz SHDCZHOFLZCADR-SNVBAGLBSA-N -1 1 382.419 1.891 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@H]1CCCC1(F)F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574718003 949758121 /nfs/dbraw/zinc/75/81/21/949758121.db2.gz YEPRPBIATAEYDG-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@H]1CCCC1(F)F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574718003 949758140 /nfs/dbraw/zinc/75/81/40/949758140.db2.gz YEPRPBIATAEYDG-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1)c1ccccc1 ZINC001574480819 949759812 /nfs/dbraw/zinc/75/98/12/949759812.db2.gz JWFLMWCQAMHPLV-ZBFHGGJFSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1)c1ccccc1 ZINC001574480819 949759825 /nfs/dbraw/zinc/75/98/25/949759825.db2.gz JWFLMWCQAMHPLV-ZBFHGGJFSA-N -1 1 392.467 1.888 20 0 GDADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)Cc1cccs1 ZINC001573820316 949762168 /nfs/dbraw/zinc/76/21/68/949762168.db2.gz XKFDAGJYEXMAPU-LBPRGKRZSA-N -1 1 386.485 1.326 20 0 GDADMM C[C@H](CNC(=O)[C@H]1C[C@@H]1C(F)F)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574964815 949785335 /nfs/dbraw/zinc/78/53/35/949785335.db2.gz ABGSYBBLRNZSLC-VQVTYTSYSA-N -1 1 391.835 1.819 20 0 GDADMM C[C@H](CNC(=O)c1c(Cl)n[nH]c1C1CC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574964866 949788213 /nfs/dbraw/zinc/78/82/13/949788213.db2.gz AXCAYDWNEHREMT-SSDOTTSWSA-N -1 1 388.823 1.141 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001574481808 949802650 /nfs/dbraw/zinc/80/26/50/949802650.db2.gz VTXFHQNXTCWDRK-NXEZZACHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001574481808 949802678 /nfs/dbraw/zinc/80/26/78/949802678.db2.gz VTXFHQNXTCWDRK-NXEZZACHSA-N -1 1 384.366 1.282 20 0 GDADMM CC1(C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C23CCC3)CC=CC1 ZINC001575561167 949803708 /nfs/dbraw/zinc/80/37/08/949803708.db2.gz ZRZYKBHVUYOXSC-KGLIPLIRSA-N -1 1 380.456 1.852 20 0 GDADMM CC1(C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C23CCC3)CC=CC1 ZINC001575561167 949803719 /nfs/dbraw/zinc/80/37/19/949803719.db2.gz ZRZYKBHVUYOXSC-KGLIPLIRSA-N -1 1 380.456 1.852 20 0 GDADMM C[C@H](CNC(=O)c1c(F)cc(F)cc1F)CNc1nccnc1-c1nnn[n-]1 ZINC001574965647 949804731 /nfs/dbraw/zinc/80/47/31/949804731.db2.gz IMWNTCBQNKZTCT-QMMMGPOBSA-N -1 1 392.345 1.552 20 0 GDADMM C[C@H](CNC(=O)c1c(F)cc(F)cc1F)CNc1nccnc1-c1nn[n-]n1 ZINC001574965647 949804752 /nfs/dbraw/zinc/80/47/52/949804752.db2.gz IMWNTCBQNKZTCT-QMMMGPOBSA-N -1 1 392.345 1.552 20 0 GDADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)COc1ccc(F)cc1 ZINC001575281509 949812026 /nfs/dbraw/zinc/81/20/26/949812026.db2.gz GVNJGAZLWMUAFN-MNOVXSKESA-N -1 1 386.391 1.180 20 0 GDADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)COc1ccc(F)cc1 ZINC001575281509 949812044 /nfs/dbraw/zinc/81/20/44/949812044.db2.gz GVNJGAZLWMUAFN-MNOVXSKESA-N -1 1 386.391 1.180 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C1CCC(O)CC1 ZINC001573823032 949816368 /nfs/dbraw/zinc/81/63/68/949816368.db2.gz QCPOMCKBKSAVBO-WXRRBKDZSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C1CCC(O)CC1 ZINC001573823032 949816391 /nfs/dbraw/zinc/81/63/91/949816391.db2.gz QCPOMCKBKSAVBO-WXRRBKDZSA-N -1 1 388.476 1.151 20 0 GDADMM C[C@H]1CCCC[C@H]1CC(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576173031 949832871 /nfs/dbraw/zinc/83/28/71/949832871.db2.gz WNAMAVZBYFKOAC-GJZGRUSLSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@H]1CCCC[C@H]1CC(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576173031 949832893 /nfs/dbraw/zinc/83/28/93/949832893.db2.gz WNAMAVZBYFKOAC-GJZGRUSLSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@H]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001576173315 949836529 /nfs/dbraw/zinc/83/65/29/949836529.db2.gz XAEANCAZNXJCTK-XQLPTFJDSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001576173315 949836538 /nfs/dbraw/zinc/83/65/38/949836538.db2.gz XAEANCAZNXJCTK-XQLPTFJDSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](CN(C)C(=O)CCc1ccccc1F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574722547 949841696 /nfs/dbraw/zinc/84/16/96/949841696.db2.gz UTAHOQKBLQDTHL-GFCCVEGCSA-N -1 1 384.419 1.687 20 0 GDADMM C[C@H](CN(C)C(=O)CCc1ccccc1F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574722547 949841716 /nfs/dbraw/zinc/84/17/16/949841716.db2.gz UTAHOQKBLQDTHL-GFCCVEGCSA-N -1 1 384.419 1.687 20 0 GDADMM C[C@@H](NC(=O)COc1ccccc1F)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575282680 949844404 /nfs/dbraw/zinc/84/44/04/949844404.db2.gz LPIFQYZHVHQCKY-WDEREUQCSA-N -1 1 386.391 1.180 20 0 GDADMM C[C@@H](NC(=O)COc1ccccc1F)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575282680 949844423 /nfs/dbraw/zinc/84/44/23/949844423.db2.gz LPIFQYZHVHQCKY-WDEREUQCSA-N -1 1 386.391 1.180 20 0 GDADMM C[C@@H](NC(=O)Cc1cc(C2CC2)no1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575282739 949846159 /nfs/dbraw/zinc/84/61/59/949846159.db2.gz MHLARRRAIRMJPW-ZJUUUORDSA-N -1 1 383.416 1.070 20 0 GDADMM C[C@@H](NC(=O)Cc1cc(C2CC2)no1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575282739 949846186 /nfs/dbraw/zinc/84/61/86/949846186.db2.gz MHLARRRAIRMJPW-ZJUUUORDSA-N -1 1 383.416 1.070 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001574141113 949848865 /nfs/dbraw/zinc/84/88/65/949848865.db2.gz QWTOKHJTIIPGAR-ZIAGYGMSSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001574141113 949848888 /nfs/dbraw/zinc/84/88/88/949848888.db2.gz QWTOKHJTIIPGAR-ZIAGYGMSSA-N -1 1 388.476 1.050 20 0 GDADMM CC1(C(=O)N[C@@H]2CC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CCOCC1 ZINC001575563889 949848986 /nfs/dbraw/zinc/84/89/86/949848986.db2.gz MYPMXVLDDUDNMX-CHWSQXEVSA-N -1 1 386.460 1.170 20 0 GDADMM CC1(C(=O)N[C@@H]2CC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CCOCC1 ZINC001575563889 949849006 /nfs/dbraw/zinc/84/90/06/949849006.db2.gz MYPMXVLDDUDNMX-CHWSQXEVSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@H]1CC[C@H](C(=O)N[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)[C@@H]2C)CC1 ZINC001575884647 949848758 /nfs/dbraw/zinc/84/87/58/949848758.db2.gz VFIPHLMFVGZIAY-KBUPBQIOSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H]1CC[C@H](C(=O)N[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)[C@@H]2C)CC1 ZINC001575884647 949848781 /nfs/dbraw/zinc/84/87/81/949848781.db2.gz VFIPHLMFVGZIAY-KBUPBQIOSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@@H]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001576173835 949849507 /nfs/dbraw/zinc/84/95/07/949849507.db2.gz ZGUBDGXUOOQXLN-KBXIAJHMSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001576173835 949849526 /nfs/dbraw/zinc/84/95/26/949849526.db2.gz ZGUBDGXUOOQXLN-KBXIAJHMSA-N -1 1 382.472 1.663 20 0 GDADMM CC(C)C[C@H](C)CC(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001574141108 949850877 /nfs/dbraw/zinc/85/08/77/949850877.db2.gz QWTOKHJTIIPGAR-UONOGXRCSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)C[C@H](C)CC(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001574141108 949850909 /nfs/dbraw/zinc/85/09/09/949850909.db2.gz QWTOKHJTIIPGAR-UONOGXRCSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@@H](Nc1nc(Cl)c(-c2nnn[n-]2)s1)[C@H](C)NC(=O)COCC1CC1 ZINC001575283137 949861936 /nfs/dbraw/zinc/86/19/36/949861936.db2.gz NQBAZUCKIATPRM-JGVFFNPUSA-N -1 1 385.881 1.708 20 0 GDADMM C[C@@H](Nc1nc(Cl)c(-c2nn[n-]n2)s1)[C@H](C)NC(=O)COCC1CC1 ZINC001575283137 949861954 /nfs/dbraw/zinc/86/19/54/949861954.db2.gz NQBAZUCKIATPRM-JGVFFNPUSA-N -1 1 385.881 1.708 20 0 GDADMM C[C@H](NC(=O)Cc1c[nH]c2cnccc12)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575283340 949865700 /nfs/dbraw/zinc/86/57/00/949865700.db2.gz OHNOOZAJYBTUKQ-QWRGUYRKSA-N -1 1 392.427 1.081 20 0 GDADMM C[C@H](NC(=O)Cc1c[nH]c2cnccc12)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575283340 949865715 /nfs/dbraw/zinc/86/57/15/949865715.db2.gz OHNOOZAJYBTUKQ-QWRGUYRKSA-N -1 1 392.427 1.081 20 0 GDADMM CC(C)(C)C12CC(C(=O)N3CCN(c4nccnc4-c4nnn[n-]4)CC3)(C1)C2 ZINC001573825211 949865988 /nfs/dbraw/zinc/86/59/88/949865988.db2.gz MZEKJWNVCYIFKW-UHFFFAOYSA-N -1 1 382.472 1.522 20 0 GDADMM CC(C)(C)C12CC(C(=O)N3CCN(c4nccnc4-c4nn[n-]n4)CC3)(C1)C2 ZINC001573825211 949866009 /nfs/dbraw/zinc/86/60/09/949866009.db2.gz MZEKJWNVCYIFKW-UHFFFAOYSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H]1[C@H](NC(=O)Cc2ccsc2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575886238 949876296 /nfs/dbraw/zinc/87/62/96/949876296.db2.gz XPGIVXHVKNDTLR-WCQYABFASA-N -1 1 384.469 1.434 20 0 GDADMM C[C@H]1[C@H](NC(=O)Cc2ccsc2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575886238 949876312 /nfs/dbraw/zinc/87/63/12/949876312.db2.gz XPGIVXHVKNDTLR-WCQYABFASA-N -1 1 384.469 1.434 20 0 GDADMM C[C@]1(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CCc2ccccc21 ZINC001575568565 949895497 /nfs/dbraw/zinc/89/54/97/949895497.db2.gz ALOVXXDMTCSAOX-VLIAUNLRSA-N -1 1 390.451 1.256 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccco2)[C@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576179317 949910847 /nfs/dbraw/zinc/91/08/47/949910847.db2.gz FITFXIAKIOWPRX-OCCSQVGLSA-N -1 1 382.428 1.993 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccco2)[C@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576179317 949910860 /nfs/dbraw/zinc/91/08/60/949910860.db2.gz FITFXIAKIOWPRX-OCCSQVGLSA-N -1 1 382.428 1.993 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001574484988 949915193 /nfs/dbraw/zinc/91/51/93/949915193.db2.gz TYVHCKCLTDTLNO-KGLIPLIRSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001574484988 949915205 /nfs/dbraw/zinc/91/52/05/949915205.db2.gz TYVHCKCLTDTLNO-KGLIPLIRSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001574484987 949916350 /nfs/dbraw/zinc/91/63/50/949916350.db2.gz TYVHCKCLTDTLNO-KBPBESRZSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001574484987 949916368 /nfs/dbraw/zinc/91/63/68/949916368.db2.gz TYVHCKCLTDTLNO-KBPBESRZSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(F)CCCC2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576179611 949924816 /nfs/dbraw/zinc/92/48/16/949924816.db2.gz BEOHPDRNRZWSDJ-CHWSQXEVSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(F)CCCC2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576179611 949924836 /nfs/dbraw/zinc/92/48/36/949924836.db2.gz BEOHPDRNRZWSDJ-CHWSQXEVSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@H](CC(=O)N[C@]1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574488838 949950818 /nfs/dbraw/zinc/95/08/18/949950818.db2.gz GQIHJNFJJGLSHO-YMTOWFKASA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](CN(C)C(=O)COc1ccc(F)cc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574727052 949953278 /nfs/dbraw/zinc/95/32/78/949953278.db2.gz OIIIMKSIINTVOD-LLVKDONJSA-N -1 1 386.391 1.134 20 0 GDADMM C[C@H](CN(C)C(=O)COc1ccc(F)cc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574727052 949953295 /nfs/dbraw/zinc/95/32/95/949953295.db2.gz OIIIMKSIINTVOD-LLVKDONJSA-N -1 1 386.391 1.134 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ccccc2F)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575890869 949967489 /nfs/dbraw/zinc/96/74/89/949967489.db2.gz APVMVJQQSYXCML-RISCZKNCSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ccccc2F)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575890869 949967505 /nfs/dbraw/zinc/96/75/05/949967505.db2.gz APVMVJQQSYXCML-RISCZKNCSA-N -1 1 382.403 1.583 20 0 GDADMM CCCN(CCS(=O)(=O)CC(=O)[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC001589674174 949969702 /nfs/dbraw/zinc/96/97/02/949969702.db2.gz BESIFAHYBGDYOZ-UHFFFAOYSA-N -1 1 396.509 1.503 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccn(C)c2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576180850 949973926 /nfs/dbraw/zinc/97/39/26/949973926.db2.gz JVLFXNULQIQMQA-DOMZBBRYSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccn(C)c2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576180850 949973944 /nfs/dbraw/zinc/97/39/44/949973944.db2.gz JVLFXNULQIQMQA-DOMZBBRYSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2ccccc2O)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575891091 949983528 /nfs/dbraw/zinc/98/35/28/949983528.db2.gz DWPTXUUPONKQMP-AAEUAGOBSA-N -1 1 380.412 1.150 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cscn2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576181053 949983842 /nfs/dbraw/zinc/98/38/42/949983842.db2.gz RWIZFFYIPGEZOE-ZYHUDNBSSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cscn2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576181053 949983862 /nfs/dbraw/zinc/98/38/62/949983862.db2.gz RWIZFFYIPGEZOE-ZYHUDNBSSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1)c1ccncc1 ZINC001574490388 949991396 /nfs/dbraw/zinc/99/13/96/949991396.db2.gz QUTXJTFQLPFLQA-SNPRPXQTSA-N -1 1 391.439 1.035 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1)c1ccncc1 ZINC001574490388 949991418 /nfs/dbraw/zinc/99/14/18/949991418.db2.gz QUTXJTFQLPFLQA-SNPRPXQTSA-N -1 1 391.439 1.035 20 0 GDADMM C[C@@H](CC(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)C(F)(F)F ZINC001574490496 950002438 /nfs/dbraw/zinc/00/24/38/950002438.db2.gz TULDITXSXWGCEW-WPRPVWTQSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](CC(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)C(F)(F)F ZINC001574490496 950002461 /nfs/dbraw/zinc/00/24/61/950002461.db2.gz TULDITXSXWGCEW-WPRPVWTQSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(F)CCCC2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576181483 950008919 /nfs/dbraw/zinc/00/89/19/950008919.db2.gz IMDNRKWSYAOKJP-OLZOCXBDSA-N -1 1 388.451 1.257 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1c(F)cccc1F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574730228 950028440 /nfs/dbraw/zinc/02/84/40/950028440.db2.gz PZBKCINRAHFFHN-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1c(F)cccc1F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574730228 950028453 /nfs/dbraw/zinc/02/84/53/950028453.db2.gz PZBKCINRAHFFHN-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2cccc(F)c2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575891842 950031243 /nfs/dbraw/zinc/03/12/43/950031243.db2.gz OHWDKHSQEZQIHJ-FZMZJTMJSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2cccc(F)c2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575891842 950031269 /nfs/dbraw/zinc/03/12/69/950031269.db2.gz OHWDKHSQEZQIHJ-FZMZJTMJSA-N -1 1 382.403 1.583 20 0 GDADMM CC(C)(C)CC(=O)N[C@@H]1CC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@@H]2C1 ZINC001573835120 950034403 /nfs/dbraw/zinc/03/44/03/950034403.db2.gz OWZPOKNEMCUEAH-MELADBBJSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)CC(=O)N[C@@H]1CC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@H]2C1 ZINC001573835120 950034427 /nfs/dbraw/zinc/03/44/27/950034427.db2.gz OWZPOKNEMCUEAH-MELADBBJSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](CC(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)c1ccco1 ZINC001574491633 950040502 /nfs/dbraw/zinc/04/05/02/950040502.db2.gz FDFXWHDGDBIKKQ-GFCCVEGCSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574491984 950058444 /nfs/dbraw/zinc/05/84/44/950058444.db2.gz HYALNMGSNXCBNK-DZGCQCFKSA-N -1 1 378.440 1.545 20 0 GDADMM C[C@@H](CC(=O)NC1CC2(C1)CC(Nc1ccnc(-c3nn[n-]n3)n1)C2)C1CC1 ZINC001574492687 950099985 /nfs/dbraw/zinc/09/99/85/950099985.db2.gz ONFRYQJCBVFFRV-AIMVFPRCSA-N -1 1 382.472 1.354 20 0 GDADMM CC(C)[C@@H](CNC(=O)C[C@@H](C)c1ccco1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574492760 950102039 /nfs/dbraw/zinc/10/20/39/950102039.db2.gz COQXTDBMOJRPDQ-CHWSQXEVSA-N -1 1 384.444 1.418 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cocn2)[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001576183722 950102247 /nfs/dbraw/zinc/10/22/47/950102247.db2.gz TUQQXVWXWLKEOL-YPMHNXCESA-N -1 1 383.416 1.388 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cocn2)[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001576183722 950102260 /nfs/dbraw/zinc/10/22/60/950102260.db2.gz TUQQXVWXWLKEOL-YPMHNXCESA-N -1 1 383.416 1.388 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2ccoc2Cl)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575895529 950112057 /nfs/dbraw/zinc/11/20/57/950112057.db2.gz IEOFFJKXGWWAJH-ONGXEEELSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2ccoc2Cl)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575895529 950112066 /nfs/dbraw/zinc/11/20/66/950112066.db2.gz IEOFFJKXGWWAJH-ONGXEEELSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccoc2)[C@@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576184024 950115717 /nfs/dbraw/zinc/11/57/17/950115717.db2.gz VEPFGTOFSZXTCZ-IUODEOHRSA-N -1 1 382.428 1.993 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccoc2)[C@@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576184024 950115730 /nfs/dbraw/zinc/11/57/30/950115730.db2.gz VEPFGTOFSZXTCZ-IUODEOHRSA-N -1 1 382.428 1.993 20 0 GDADMM CC1(C(=O)NC[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)CC(F)(F)C1 ZINC001575582493 950115805 /nfs/dbraw/zinc/11/58/05/950115805.db2.gz DLNMNOWZXXWWBH-NSHDSACASA-N -1 1 392.414 1.425 20 0 GDADMM CC1(C(=O)NC[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)CC(F)(F)C1 ZINC001575582493 950115818 /nfs/dbraw/zinc/11/58/18/950115818.db2.gz DLNMNOWZXXWWBH-NSHDSACASA-N -1 1 392.414 1.425 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccncc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574734483 950137586 /nfs/dbraw/zinc/13/75/86/950137586.db2.gz NUJCXLSVDLTCBQ-FPMFFAJLSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccncc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574734483 950137600 /nfs/dbraw/zinc/13/76/00/950137600.db2.gz NUJCXLSVDLTCBQ-FPMFFAJLSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)C1CCCCC1 ZINC001574494321 950159697 /nfs/dbraw/zinc/15/96/97/950159697.db2.gz KDYNNOJNBHCDSF-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)C1CCCCC1 ZINC001574494321 950159709 /nfs/dbraw/zinc/15/97/09/950159709.db2.gz KDYNNOJNBHCDSF-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CC1CCOCC1 ZINC001574154755 950176965 /nfs/dbraw/zinc/17/69/65/950176965.db2.gz HBUMGBFLDIMVRL-AWEZNQCLSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CC1CCOCC1 ZINC001574154755 950176978 /nfs/dbraw/zinc/17/69/78/950176978.db2.gz HBUMGBFLDIMVRL-AWEZNQCLSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CCC(C)(F)F ZINC001574155442 950193604 /nfs/dbraw/zinc/19/36/04/950193604.db2.gz LGTHONCOYSBZTK-LLVKDONJSA-N -1 1 382.419 1.457 20 0 GDADMM C[C@@H](CC(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1)c1ccncc1 ZINC001574495282 950197156 /nfs/dbraw/zinc/19/71/56/950197156.db2.gz RWQFAUCCEDLVMW-LBPRGKRZSA-N -1 1 383.481 1.817 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cc(Cl)no1 ZINC001574157786 950253724 /nfs/dbraw/zinc/25/37/24/950253724.db2.gz ITBWAGZGEGBPGX-VIFPVBQESA-N -1 1 391.823 1.555 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cc(Cl)no1 ZINC001574157786 950253739 /nfs/dbraw/zinc/25/37/39/950253739.db2.gz ITBWAGZGEGBPGX-VIFPVBQESA-N -1 1 391.823 1.555 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2ncccc2[O-])CCCN1c1ccc(-c2nn[nH]n2)cn1 ZINC001575902265 950256394 /nfs/dbraw/zinc/25/63/94/950256394.db2.gz UCMXSILZUVUNLF-AAEUAGOBSA-N -1 1 380.412 1.150 20 0 GDADMM CC(C)(C)OC(=O)CC[C@@H]1C[C@H](C(=O)Nc2c[nH]nc2-c2nn[n-]n2)CO1 ZINC001573850918 950282890 /nfs/dbraw/zinc/28/28/90/950282890.db2.gz OZWLBYQXXSVJBT-VHSXEESVSA-N -1 1 377.405 1.055 20 0 GDADMM CC1(C(=O)NCC[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC(F)(F)C1 ZINC001575592633 950292764 /nfs/dbraw/zinc/29/27/64/950292764.db2.gz IDUPYOPAAVZIRH-LLVKDONJSA-N -1 1 392.414 1.425 20 0 GDADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccccc1O ZINC001574158802 950293534 /nfs/dbraw/zinc/29/35/34/950293534.db2.gz SVCURPYHMQLCBT-GFCCVEGCSA-N -1 1 382.428 1.041 20 0 GDADMM CC(C)(C)OC(=O)C(C)(C)n1ccc(NC(=O)c2coc(-c3nnn[n-]3)c2)n1 ZINC001573851441 950294499 /nfs/dbraw/zinc/29/44/99/950294499.db2.gz YFYQURLPARLZJL-UHFFFAOYSA-N -1 1 387.400 1.985 20 0 GDADMM CC(C)(C)OC(=O)C(C)(C)n1ccc(NC(=O)c2coc(-c3nn[n-]n3)c2)n1 ZINC001573851441 950294517 /nfs/dbraw/zinc/29/45/17/950294517.db2.gz YFYQURLPARLZJL-UHFFFAOYSA-N -1 1 387.400 1.985 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CC1)c1ccccc1 ZINC001574499430 950300885 /nfs/dbraw/zinc/30/08/85/950300885.db2.gz VLIHSAYRISLADU-ZDUSSCGKSA-N -1 1 378.440 1.333 20 0 GDADMM C[C@H](CC(=O)NC[C@]1(C)CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001574499452 950305078 /nfs/dbraw/zinc/30/50/78/950305078.db2.gz VRIQGZARWNJWBL-YJYMSZOUSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](CC(=O)NCC1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001574499860 950307573 /nfs/dbraw/zinc/30/75/73/950307573.db2.gz XHZYOWOLOCXDPE-HSBZDZAISA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](CC(=O)NCC1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001574499860 950307593 /nfs/dbraw/zinc/30/75/93/950307593.db2.gz XHZYOWOLOCXDPE-HSBZDZAISA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCC1)C(F)(F)F ZINC001574500043 950307909 /nfs/dbraw/zinc/30/79/09/950307909.db2.gz YAFGPMXUQWMFKW-SECBINFHSA-N -1 1 384.366 1.696 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCC1)C(F)(F)F ZINC001574500043 950307936 /nfs/dbraw/zinc/30/79/36/950307936.db2.gz YAFGPMXUQWMFKW-SECBINFHSA-N -1 1 384.366 1.696 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C[C@H]1CCCOC1 ZINC001574159613 950310024 /nfs/dbraw/zinc/31/00/24/950310024.db2.gz WSBRJEIIHYKUEZ-ZIAGYGMSSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@H]1CCCOC1 ZINC001574159613 950310043 /nfs/dbraw/zinc/31/00/43/950310043.db2.gz WSBRJEIIHYKUEZ-ZIAGYGMSSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)Cc1cscn1 ZINC001574159642 950312065 /nfs/dbraw/zinc/31/20/65/950312065.db2.gz XHOIAPHTTFJMHD-LLVKDONJSA-N -1 1 387.473 1.299 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)Cc1cscn1 ZINC001574159642 950312086 /nfs/dbraw/zinc/31/20/86/950312086.db2.gz XHOIAPHTTFJMHD-LLVKDONJSA-N -1 1 387.473 1.299 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H](C)n1cccc1 ZINC001574159835 950319955 /nfs/dbraw/zinc/31/99/55/950319955.db2.gz KGKFDGCFCAZWPY-UONOGXRCSA-N -1 1 383.460 1.662 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)n1cccc1 ZINC001574159835 950319979 /nfs/dbraw/zinc/31/99/79/950319979.db2.gz KGKFDGCFCAZWPY-UONOGXRCSA-N -1 1 383.460 1.662 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001574501287 950326997 /nfs/dbraw/zinc/32/69/97/950326997.db2.gz CPLQJXAIKPOAHC-NXEZZACHSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001574501287 950327019 /nfs/dbraw/zinc/32/70/19/950327019.db2.gz CPLQJXAIKPOAHC-NXEZZACHSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCCCCN1c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001574501700 950342674 /nfs/dbraw/zinc/34/26/74/950342674.db2.gz GNTYGQZUAMQWMZ-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCCCCN1c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001574501700 950342691 /nfs/dbraw/zinc/34/26/91/950342691.db2.gz GNTYGQZUAMQWMZ-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001573855163 950355560 /nfs/dbraw/zinc/35/55/60/950355560.db2.gz KHOJYODHPJCRKP-MEBFFEOJSA-N -1 1 382.472 1.280 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001573855163 950355577 /nfs/dbraw/zinc/35/55/77/950355577.db2.gz KHOJYODHPJCRKP-MEBFFEOJSA-N -1 1 382.472 1.280 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)Cc1cccs1 ZINC001574162447 950381310 /nfs/dbraw/zinc/38/13/10/950381310.db2.gz ARIJPZPRDSMSHS-GFCCVEGCSA-N -1 1 386.485 1.904 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)Cc1cccs1 ZINC001574162447 950381331 /nfs/dbraw/zinc/38/13/31/950381331.db2.gz ARIJPZPRDSMSHS-GFCCVEGCSA-N -1 1 386.485 1.904 20 0 GDADMM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001573856797 950392413 /nfs/dbraw/zinc/39/24/13/950392413.db2.gz JCIUYZBDGHVIGQ-VOJFVSQTSA-N -1 1 385.428 1.847 20 0 GDADMM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001573856797 950392429 /nfs/dbraw/zinc/39/24/29/950392429.db2.gz JCIUYZBDGHVIGQ-VOJFVSQTSA-N -1 1 385.428 1.847 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@]1(C)CCCOC1 ZINC001574162657 950394898 /nfs/dbraw/zinc/39/48/98/950394898.db2.gz GONGKLATVJRWBE-FZKQIMNGSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@]1(C)CCCOC1 ZINC001574162657 950394919 /nfs/dbraw/zinc/39/49/19/950394919.db2.gz GONGKLATVJRWBE-FZKQIMNGSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@@H]1CCCCO1 ZINC001574162886 950408269 /nfs/dbraw/zinc/40/82/69/950408269.db2.gz LIMVXJICOFBGJI-KBPBESRZSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@@H]1CCCCO1 ZINC001574162886 950408290 /nfs/dbraw/zinc/40/82/90/950408290.db2.gz LIMVXJICOFBGJI-KBPBESRZSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)CC1(C(=O)N(C)[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CCC1 ZINC001574163177 950417409 /nfs/dbraw/zinc/41/74/09/950417409.db2.gz QMFFVJPUQHUKOD-CQSZACIVSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CC1(C(=O)N(C)[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CCC1 ZINC001574163177 950417428 /nfs/dbraw/zinc/41/74/28/950417428.db2.gz QMFFVJPUQHUKOD-CQSZACIVSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)(C)OC(=O)NCc1nc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)cs1 ZINC001573860078 950418735 /nfs/dbraw/zinc/41/87/35/950418735.db2.gz DENCPPWWPZEKQI-UHFFFAOYSA-N -1 1 391.417 1.323 20 0 GDADMM CC(C)(C)OC(=O)NCc1nc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)cs1 ZINC001573860078 950418746 /nfs/dbraw/zinc/41/87/46/950418746.db2.gz DENCPPWWPZEKQI-UHFFFAOYSA-N -1 1 391.417 1.323 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)Cc1ccsc1 ZINC001574163525 950426994 /nfs/dbraw/zinc/42/69/94/950426994.db2.gz VLYXZBADEDFWMW-ZDUSSCGKSA-N -1 1 386.485 1.904 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)Cc1ccsc1 ZINC001574163525 950427002 /nfs/dbraw/zinc/42/70/02/950427002.db2.gz VLYXZBADEDFWMW-ZDUSSCGKSA-N -1 1 386.485 1.904 20 0 GDADMM CC(C)(C)OC(=O)NCC1(CC(=O)NCc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001573860699 950433587 /nfs/dbraw/zinc/43/35/87/950433587.db2.gz MRNMDLYWHXKUED-UHFFFAOYSA-N -1 1 387.444 1.573 20 0 GDADMM CC(C)(C)OC(=O)NCC1(CC(=O)NCc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001573860699 950433601 /nfs/dbraw/zinc/43/36/01/950433601.db2.gz MRNMDLYWHXKUED-UHFFFAOYSA-N -1 1 387.444 1.573 20 0 GDADMM C[C@H](CC(=O)NCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1)n1cccc1 ZINC001574506709 950441656 /nfs/dbraw/zinc/44/16/56/950441656.db2.gz BXNMBKYUQCZIFP-CYBMUJFWSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](CC(=O)NCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1)n1cccc1 ZINC001574506709 950441668 /nfs/dbraw/zinc/44/16/68/950441668.db2.gz BXNMBKYUQCZIFP-CYBMUJFWSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001574506775 950442897 /nfs/dbraw/zinc/44/28/97/950442897.db2.gz FMCOPDFWWZHJQC-UPJWGTAASA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001574506775 950442916 /nfs/dbraw/zinc/44/29/16/950442916.db2.gz FMCOPDFWWZHJQC-UPJWGTAASA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](CC(=O)NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1)C(F)(F)F ZINC001574507598 950457589 /nfs/dbraw/zinc/45/75/89/950457589.db2.gz GFFLASLFHUCJSZ-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](CC(=O)NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1)C(F)(F)F ZINC001574507598 950457609 /nfs/dbraw/zinc/45/76/09/950457609.db2.gz GFFLASLFHUCJSZ-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)CC1(C(=O)NCCN(c2cnc(-c3nnn[n-]3)cn2)C2CC2)CCC1 ZINC001574166443 950467500 /nfs/dbraw/zinc/46/75/00/950467500.db2.gz SECYGPPJBCOQIT-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CC1(C(=O)NCCN(c2cnc(-c3nn[n-]n3)cn2)C2CC2)CCC1 ZINC001574166443 950467514 /nfs/dbraw/zinc/46/75/14/950467514.db2.gz SECYGPPJBCOQIT-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CC1(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C)CCC1 ZINC001574166776 950478034 /nfs/dbraw/zinc/47/80/34/950478034.db2.gz ZDLFOIBTAPBLQN-ZIAGYGMSSA-N -1 1 384.488 1.814 20 0 GDADMM CCN(CC1CCN([C@@H]2CCN(CC(=O)[O-])C2=O)CC1)C(=O)OC(C)(C)C ZINC001589729910 950488839 /nfs/dbraw/zinc/48/88/39/950488839.db2.gz GVJXPPYGZQOGTD-OAHLLOKOSA-N -1 1 383.489 1.641 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCCn1cccc1 ZINC001575915741 950519426 /nfs/dbraw/zinc/51/94/26/950519426.db2.gz OBKPCDGOJALPEF-KBPBESRZSA-N -1 1 381.444 1.340 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCCn1cccc1 ZINC001575915741 950519441 /nfs/dbraw/zinc/51/94/41/950519441.db2.gz OBKPCDGOJALPEF-KBPBESRZSA-N -1 1 381.444 1.340 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc2c(c1)CCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574753349 950522656 /nfs/dbraw/zinc/52/26/56/950522656.db2.gz LBKQWCRCULMDBP-LBPRGKRZSA-N -1 1 378.440 1.718 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc2c(c1)CCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574753349 950522668 /nfs/dbraw/zinc/52/26/68/950522668.db2.gz LBKQWCRCULMDBP-LBPRGKRZSA-N -1 1 378.440 1.718 20 0 GDADMM CC(C)(C)OCC(=O)N[C@]12CCC[C@@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001573868508 950540571 /nfs/dbraw/zinc/54/05/71/950540571.db2.gz CWSOPIKDYSLLII-SGTLLEGYSA-N -1 1 386.460 1.089 20 0 GDADMM C[C@@H](NC(=O)C[C@H](C)C1CC1)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574511056 950552527 /nfs/dbraw/zinc/55/25/27/950552527.db2.gz FHLCCWUUSQKESN-QWHCGFSZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](NC(=O)C[C@H](C)C1CC1)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574511056 950552537 /nfs/dbraw/zinc/55/25/37/950552537.db2.gz FHLCCWUUSQKESN-QWHCGFSZSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575616904 950590015 /nfs/dbraw/zinc/59/00/15/950590015.db2.gz TXLLHPDXCYRKBH-LBPRGKRZSA-N -1 1 384.488 1.554 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1 ZINC001575617249 950598058 /nfs/dbraw/zinc/59/80/58/950598058.db2.gz YYIAAJJANZWMPU-RYUDHWBXSA-N -1 1 382.472 1.519 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1 ZINC001575617249 950598077 /nfs/dbraw/zinc/59/80/77/950598077.db2.gz YYIAAJJANZWMPU-RYUDHWBXSA-N -1 1 382.472 1.519 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@H](C)c1ccc(F)cc1 ZINC001574513296 950604613 /nfs/dbraw/zinc/60/46/13/950604613.db2.gz MPLTXOSMFCZCBE-NWDGAFQWSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@H](C)c1ccc(F)cc1 ZINC001574513296 950604633 /nfs/dbraw/zinc/60/46/33/950604633.db2.gz MPLTXOSMFCZCBE-NWDGAFQWSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)no1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575000427 950605430 /nfs/dbraw/zinc/60/54/30/950605430.db2.gz CUYXRVRCKWWRDI-SCSAIBSYSA-N -1 1 389.228 1.848 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)no1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575000427 950605439 /nfs/dbraw/zinc/60/54/39/950605439.db2.gz CUYXRVRCKWWRDI-SCSAIBSYSA-N -1 1 389.228 1.848 20 0 GDADMM CC(C)(C)OCC(=O)NCC1(Nc2nc(Cl)c(-c3nnn[n-]3)s2)CC1 ZINC001573870931 950605842 /nfs/dbraw/zinc/60/58/42/950605842.db2.gz KOLVVIBJVKIKHS-UHFFFAOYSA-N -1 1 385.881 1.852 20 0 GDADMM CC(C)(C)OCC(=O)NCC1(Nc2nc(Cl)c(-c3nn[n-]n3)s2)CC1 ZINC001573870931 950605854 /nfs/dbraw/zinc/60/58/54/950605854.db2.gz KOLVVIBJVKIKHS-UHFFFAOYSA-N -1 1 385.881 1.852 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001574513494 950610989 /nfs/dbraw/zinc/61/09/89/950610989.db2.gz QYJLZCGFDQFOLD-KBPBESRZSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001574513494 950611001 /nfs/dbraw/zinc/61/10/01/950611001.db2.gz QYJLZCGFDQFOLD-KBPBESRZSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C)c1ccccc1 ZINC001574513549 950614524 /nfs/dbraw/zinc/61/45/24/950614524.db2.gz SQQMCZOIXYOBHO-LZWOXQAQSA-N -1 1 392.467 1.934 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C)c1ccccc1 ZINC001574513549 950614538 /nfs/dbraw/zinc/61/45/38/950614538.db2.gz SQQMCZOIXYOBHO-LZWOXQAQSA-N -1 1 392.467 1.934 20 0 GDADMM C[C@H](CN(C)C(=O)c1cccc2c1CCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574758816 950621721 /nfs/dbraw/zinc/62/17/21/950621721.db2.gz IAZCLQAULKZGPA-GFCCVEGCSA-N -1 1 378.440 1.718 20 0 GDADMM C[C@H](CN(C)C(=O)c1cccc2c1CCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574758816 950621730 /nfs/dbraw/zinc/62/17/30/950621730.db2.gz IAZCLQAULKZGPA-GFCCVEGCSA-N -1 1 378.440 1.718 20 0 GDADMM CC1(C)C(C(=O)N[C@H]2CCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)C1(C)C ZINC001575620236 950627430 /nfs/dbraw/zinc/62/74/30/950627430.db2.gz UQAHGQUXOYOKLS-NEPJUHHUSA-N -1 1 384.488 1.600 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(Cl)cs1 ZINC001575920257 950630952 /nfs/dbraw/zinc/63/09/52/950630952.db2.gz LZJHLZLMYQLYEM-SCZZXKLOSA-N -1 1 390.860 1.509 20 0 GDADMM C[C@H]1CCN(S(=O)(=O)c2c3ccccc3sc2-c2nn[n-]n2)C[C@@H]1O ZINC001576213791 950644391 /nfs/dbraw/zinc/64/43/91/950644391.db2.gz IFFWDAXPUJXMFS-ONGXEEELSA-N -1 1 379.467 1.473 20 0 GDADMM C[C@@H](CNC(=O)c1cc(C(F)F)ccc1F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575002088 950648765 /nfs/dbraw/zinc/64/87/65/950648765.db2.gz YXMPGNSUOCRXRT-QMMMGPOBSA-N -1 1 392.345 1.386 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccc2c(c1)COC2 ZINC001575922786 950649945 /nfs/dbraw/zinc/64/99/45/950649945.db2.gz ANXNVCHWLXYACP-XHDPSFHLSA-N -1 1 392.423 1.402 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccc2c(c1)COC2 ZINC001575922786 950649962 /nfs/dbraw/zinc/64/99/62/950649962.db2.gz ANXNVCHWLXYACP-XHDPSFHLSA-N -1 1 392.423 1.402 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C)C(F)(F)F ZINC001574518929 950663670 /nfs/dbraw/zinc/66/36/70/950663670.db2.gz RXXPMBLZMSGAIR-BBBLOLIVSA-N -1 1 384.366 1.329 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C)C(F)(F)F ZINC001574518929 950663687 /nfs/dbraw/zinc/66/36/87/950663687.db2.gz RXXPMBLZMSGAIR-BBBLOLIVSA-N -1 1 384.366 1.329 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)cs1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575002509 950664399 /nfs/dbraw/zinc/66/43/99/950664399.db2.gz UOOOCZMRBJLHHH-QMMMGPOBSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)cs1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575002509 950664408 /nfs/dbraw/zinc/66/44/08/950664408.db2.gz UOOOCZMRBJLHHH-QMMMGPOBSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)ccc1Cl)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575002748 950669645 /nfs/dbraw/zinc/66/96/45/950669645.db2.gz WKOJBRLPDUDDLX-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)ccc1Cl)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575002748 950669657 /nfs/dbraw/zinc/66/96/57/950669657.db2.gz WKOJBRLPDUDDLX-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM CC(C)(C)S(=O)(=O)CCNC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001573876347 950670701 /nfs/dbraw/zinc/67/07/01/950670701.db2.gz LYYUDTORDXPLIU-UHFFFAOYSA-N -1 1 376.442 1.291 20 0 GDADMM C[C@H](CNC(=O)c1cc2c([nH]1)CCCC2)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575003231 950675044 /nfs/dbraw/zinc/67/50/44/950675044.db2.gz ZRYUYRCKBAAHQS-NSHDSACASA-N -1 1 381.444 1.342 20 0 GDADMM C[C@H](CNC(=O)c1cc2c([nH]1)CCCC2)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575003231 950675056 /nfs/dbraw/zinc/67/50/56/950675056.db2.gz ZRYUYRCKBAAHQS-NSHDSACASA-N -1 1 381.444 1.342 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001574519610 950688950 /nfs/dbraw/zinc/68/89/50/950688950.db2.gz WSMZBFMNVNHGLW-MGPQQGTHSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001574519610 950688967 /nfs/dbraw/zinc/68/89/67/950688967.db2.gz WSMZBFMNVNHGLW-MGPQQGTHSA-N -1 1 381.444 1.416 20 0 GDADMM CC1(C)CC(C(=O)N2CC[C@@H]3[C@H](CCN3c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001575625792 950694951 /nfs/dbraw/zinc/69/49/51/950694951.db2.gz WNUWFQRGSMIFEX-IUODEOHRSA-N -1 1 382.472 1.520 20 0 GDADMM CC1(C)CC(C(=O)N2CC[C@@H]3[C@H](CCN3c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001575625792 950694963 /nfs/dbraw/zinc/69/49/63/950694963.db2.gz WNUWFQRGSMIFEX-IUODEOHRSA-N -1 1 382.472 1.520 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001573878350 950704797 /nfs/dbraw/zinc/70/47/97/950704797.db2.gz NDTNBSPVDBSQMW-KYEXWDHISA-N -1 1 382.472 1.376 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001573878350 950704810 /nfs/dbraw/zinc/70/48/10/950704810.db2.gz NDTNBSPVDBSQMW-KYEXWDHISA-N -1 1 382.472 1.376 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ncoc1C1CC1 ZINC001575926246 950704965 /nfs/dbraw/zinc/70/49/65/950704965.db2.gz WYPFOSVACNQZGM-GXSJLCMTSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ncoc1C1CC1 ZINC001575926246 950704981 /nfs/dbraw/zinc/70/49/81/950704981.db2.gz WYPFOSVACNQZGM-GXSJLCMTSA-N -1 1 381.400 1.237 20 0 GDADMM O=C([O-])c1c[nH]nc1S(=O)(=O)Nc1cc(Cl)cnc1Br ZINC000380276250 971688021 /nfs/dbraw/zinc/68/80/21/971688021.db2.gz ZBWNRHVEQQCHJR-UHFFFAOYSA-N -1 1 381.595 1.720 20 0 GDADMM CC(C)(C)c1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)CC2)cc1 ZINC001573881288 950750828 /nfs/dbraw/zinc/75/08/28/950750828.db2.gz CLTGDOBZLOSFFI-UHFFFAOYSA-N -1 1 392.467 1.917 20 0 GDADMM CC(C)(C)c1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)CC2)cc1 ZINC001573881288 950750845 /nfs/dbraw/zinc/75/08/45/950750845.db2.gz CLTGDOBZLOSFFI-UHFFFAOYSA-N -1 1 392.467 1.917 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cncnc1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574764482 950751528 /nfs/dbraw/zinc/75/15/28/950751528.db2.gz UFJGUOGLDZWFQV-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cncnc1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574764482 950751546 /nfs/dbraw/zinc/75/15/46/950751546.db2.gz UFJGUOGLDZWFQV-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C(C)(F)F)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576217391 950757719 /nfs/dbraw/zinc/75/77/19/950757719.db2.gz NIVBONPYMGPUGI-ONGXEEELSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C(C)(F)F)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576217391 950757733 /nfs/dbraw/zinc/75/77/33/950757733.db2.gz NIVBONPYMGPUGI-ONGXEEELSA-N -1 1 380.403 1.597 20 0 GDADMM CC(C)(C)c1ccc(NC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)cc1 ZINC001573882002 950765799 /nfs/dbraw/zinc/76/57/99/950765799.db2.gz NIOPNBMPTZREIB-UHFFFAOYSA-N -1 1 383.412 1.455 20 0 GDADMM CC1(C)CC(CC(=O)NC[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001575632103 950787319 /nfs/dbraw/zinc/78/73/19/950787319.db2.gz ALQQKOUHTQPYIG-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C)CC(CC(=O)NC[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001575632103 950787325 /nfs/dbraw/zinc/78/73/25/950787325.db2.gz ALQQKOUHTQPYIG-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H]1[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCN1C(=O)c1cnccn1 ZINC001575930162 950793136 /nfs/dbraw/zinc/79/31/36/950793136.db2.gz DTGUVDWTTYVBQP-SFYZADRCSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C(F)(F)F)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576219083 950798425 /nfs/dbraw/zinc/79/84/25/950798425.db2.gz SJGDSEKBGKVCAU-PSASIEDQSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C(F)(F)F)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576219083 950798437 /nfs/dbraw/zinc/79/84/37/950798437.db2.gz SJGDSEKBGKVCAU-PSASIEDQSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C(F)(F)F)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576219092 950801310 /nfs/dbraw/zinc/80/13/10/950801310.db2.gz SJGDSEKBGKVCAU-WCBMZHEXSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C(F)(F)F)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576219092 950801333 /nfs/dbraw/zinc/80/13/33/950801333.db2.gz SJGDSEKBGKVCAU-WCBMZHEXSA-N -1 1 384.366 1.504 20 0 GDADMM CC1(C)CC(CC(=O)NCC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001575633770 950819578 /nfs/dbraw/zinc/81/95/78/950819578.db2.gz WWIWSXGTNFPSCK-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C)CC(CC(=O)NCC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001575633770 950819602 /nfs/dbraw/zinc/81/96/02/950819602.db2.gz WWIWSXGTNFPSCK-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)c1nnsc1C(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574766818 950832080 /nfs/dbraw/zinc/83/20/80/950832080.db2.gz LCCOWCKXSBVSBQ-VIFPVBQESA-N -1 1 388.461 1.204 20 0 GDADMM CC(C)c1nnsc1C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574766818 950832106 /nfs/dbraw/zinc/83/21/06/950832106.db2.gz LCCOWCKXSBVSBQ-VIFPVBQESA-N -1 1 388.461 1.204 20 0 GDADMM CC(C)CCCC(=O)N1CCCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574188215 950842645 /nfs/dbraw/zinc/84/26/45/950842645.db2.gz UJMONTDJCDILDA-AWEZNQCLSA-N -1 1 388.476 1.512 20 0 GDADMM CC(C)CCCC(=O)N1CCCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574188215 950842662 /nfs/dbraw/zinc/84/26/62/950842662.db2.gz UJMONTDJCDILDA-AWEZNQCLSA-N -1 1 388.476 1.512 20 0 GDADMM C[C@H](CN(C)C(=O)c1scnc1C1CC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574767481 950851681 /nfs/dbraw/zinc/85/16/81/950851681.db2.gz OXHPJRHKMHZECK-SECBINFHSA-N -1 1 385.457 1.563 20 0 GDADMM C[C@H](CN(C)C(=O)c1scnc1C1CC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574767481 950851699 /nfs/dbraw/zinc/85/16/99/950851699.db2.gz OXHPJRHKMHZECK-SECBINFHSA-N -1 1 385.457 1.563 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C2CC2)CC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576221224 950854315 /nfs/dbraw/zinc/85/43/15/950854315.db2.gz VBSMFRYQBFUCCX-QWHCGFSZSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C2CC2)CC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576221224 950854331 /nfs/dbraw/zinc/85/43/31/950854331.db2.gz VBSMFRYQBFUCCX-QWHCGFSZSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)C(C)(C)C2(C)C)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576221736 950860451 /nfs/dbraw/zinc/86/04/51/950860451.db2.gz WMPMKEUBPABFGZ-RYUDHWBXSA-N -1 1 384.488 1.410 20 0 GDADMM CC(C)CCCC(=O)NC[C@]1(C)CN(c2cnc(-c3nnn[n-]3)cn2)CCO1 ZINC001574189029 950862232 /nfs/dbraw/zinc/86/22/32/950862232.db2.gz AFNYHKGHLZYPDG-GOSISDBHSA-N -1 1 388.476 1.195 20 0 GDADMM CC(C)CCCC(=O)NC[C@]1(C)CN(c2cnc(-c3nn[n-]n3)cn2)CCO1 ZINC001574189029 950862244 /nfs/dbraw/zinc/86/22/44/950862244.db2.gz AFNYHKGHLZYPDG-GOSISDBHSA-N -1 1 388.476 1.195 20 0 GDADMM CC1(C)C[C@H](NC(=O)c2ccoc2)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575639417 950869416 /nfs/dbraw/zinc/86/94/16/950869416.db2.gz BGJJKZDAKQUGJT-CYBMUJFWSA-N -1 1 382.428 1.675 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ocnc1C1CC1 ZINC001575935578 950888253 /nfs/dbraw/zinc/88/82/53/950888253.db2.gz YERDCNORCBOAMJ-ONGXEEELSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ocnc1C1CC1 ZINC001575935578 950888273 /nfs/dbraw/zinc/88/82/73/950888273.db2.gz YERDCNORCBOAMJ-ONGXEEELSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)CCCCC2)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576226751 950889479 /nfs/dbraw/zinc/88/94/79/950889479.db2.gz ALKFWXIWOIKIEY-KBPBESRZSA-N -1 1 384.488 1.698 20 0 GDADMM CC(C)(C)n1ncnc1CNC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573893592 950890048 /nfs/dbraw/zinc/89/00/48/950890048.db2.gz MLWNHTCGFZACPO-UHFFFAOYSA-N -1 1 382.841 1.645 20 0 GDADMM CC1(C)C[C@@H](NC(=O)CCCF)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575640484 950893818 /nfs/dbraw/zinc/89/38/18/950893818.db2.gz HVBDLYMYCUJQOY-LBPRGKRZSA-N -1 1 376.440 1.518 20 0 GDADMM CC1(C)C[C@@H](NC(=O)CCCF)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575640484 950893834 /nfs/dbraw/zinc/89/38/34/950893834.db2.gz HVBDLYMYCUJQOY-LBPRGKRZSA-N -1 1 376.440 1.518 20 0 GDADMM C[C@@H]1CN(C(=O)C2CC3(CC3)C2)CC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576226907 950896152 /nfs/dbraw/zinc/89/61/52/950896152.db2.gz CXASWSGYJFUGHZ-OLZOCXBDSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@@H]1CN(C(=O)C2CC3(CC3)C2)CC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576226907 950896167 /nfs/dbraw/zinc/89/61/67/950896167.db2.gz CXASWSGYJFUGHZ-OLZOCXBDSA-N -1 1 382.472 1.743 20 0 GDADMM CC(C)CCCC(=O)N1C[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001574189906 950902241 /nfs/dbraw/zinc/90/22/41/950902241.db2.gz SVQDZLABZXMVJM-CABCVRRESA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)CC(F)(F)C2)CC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576227542 950916247 /nfs/dbraw/zinc/91/62/47/950916247.db2.gz DQYMWGNXPFISIR-GHMZBOCLSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)CC(F)(F)C2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576227542 950916260 /nfs/dbraw/zinc/91/62/60/950916260.db2.gz DQYMWGNXPFISIR-GHMZBOCLSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCCn1cccc1 ZINC001575936742 950925900 /nfs/dbraw/zinc/92/59/00/950925900.db2.gz HYJQYEDLHHTKTQ-ZIAGYGMSSA-N -1 1 381.444 1.340 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCCn1cccc1 ZINC001575936742 950925921 /nfs/dbraw/zinc/92/59/21/950925921.db2.gz HYJQYEDLHHTKTQ-ZIAGYGMSSA-N -1 1 381.444 1.340 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C1CC1 ZINC001573895416 950938122 /nfs/dbraw/zinc/93/81/22/950938122.db2.gz AJZABPADCAWGST-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C1CC1 ZINC001573895416 950938143 /nfs/dbraw/zinc/93/81/43/950938143.db2.gz AJZABPADCAWGST-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N1CCC[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001575642537 950944844 /nfs/dbraw/zinc/94/48/44/950944844.db2.gz IDDASPGCUHHVLP-YJYMSZOUSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N1CCC[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001575642537 950944862 /nfs/dbraw/zinc/94/48/62/950944862.db2.gz IDDASPGCUHHVLP-YJYMSZOUSA-N -1 1 382.472 1.522 20 0 GDADMM CC(C)(CC(=O)NCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C1CC1 ZINC001573896606 950945609 /nfs/dbraw/zinc/94/56/09/950945609.db2.gz IIMASYZXSMGOHW-UHFFFAOYSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(CC(=O)NCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001573896606 950945627 /nfs/dbraw/zinc/94/56/27/950945627.db2.gz IIMASYZXSMGOHW-UHFFFAOYSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(CC(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)CC(C)(C)C2)CC1 ZINC001575643122 950959381 /nfs/dbraw/zinc/95/93/81/950959381.db2.gz YDQJUUIIBBRYMW-CYBMUJFWSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)C[C@H](NC(=O)C2CCCC2)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575643107 950960599 /nfs/dbraw/zinc/96/05/99/950960599.db2.gz XYUUJBVAQCFGKE-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)C[C@H](NC(=O)C2CCCC2)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575643107 950960615 /nfs/dbraw/zinc/96/06/15/950960615.db2.gz XYUUJBVAQCFGKE-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)CCOCC2)CC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576229125 950963116 /nfs/dbraw/zinc/96/31/16/950963116.db2.gz JEXVAERIQIZTJL-QWHCGFSZSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)CCOCC2)CC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576229125 950963131 /nfs/dbraw/zinc/96/31/31/950963131.db2.gz JEXVAERIQIZTJL-QWHCGFSZSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N1CC[C@@]2(C1)CCCN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001575643308 950967194 /nfs/dbraw/zinc/96/71/94/950967194.db2.gz LFJJQGMBDMUNNP-YJYMSZOUSA-N -1 1 382.472 1.522 20 0 GDADMM CC(C)(CC(=O)N[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC1(C)C)C1CC1 ZINC001573897852 950972190 /nfs/dbraw/zinc/97/21/90/950972190.db2.gz VCNFVGUCJJEFBL-ZDUSSCGKSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(CC(=O)N[C@H]1CN(c2nccnc2-c2nn[n-]n2)CC1(C)C)C1CC1 ZINC001573897852 950972203 /nfs/dbraw/zinc/97/22/03/950972203.db2.gz VCNFVGUCJJEFBL-ZDUSSCGKSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(CC(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)CC(F)F ZINC001573899539 950984657 /nfs/dbraw/zinc/98/46/57/950984657.db2.gz CTRTWDWHROLECA-AOOOYVTPSA-N -1 1 380.403 1.787 20 0 GDADMM CC(C)(CC(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)CC(F)F ZINC001573899539 950984670 /nfs/dbraw/zinc/98/46/70/950984670.db2.gz CTRTWDWHROLECA-AOOOYVTPSA-N -1 1 380.403 1.787 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573900242 951001674 /nfs/dbraw/zinc/00/16/74/951001674.db2.gz WTKMSNXPMRIFHQ-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573900242 951001694 /nfs/dbraw/zinc/00/16/94/951001694.db2.gz WTKMSNXPMRIFHQ-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM CC1(C)C[C@H]1C(=O)N1CCC2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001575645039 951003280 /nfs/dbraw/zinc/00/32/80/951003280.db2.gz ZZWIIOKLEXEBHI-ZDUSSCGKSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)C[C@H]1C(=O)N1CCC2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575645039 951003306 /nfs/dbraw/zinc/00/33/06/951003306.db2.gz ZZWIIOKLEXEBHI-ZDUSSCGKSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)c(F)c1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575021086 951060896 /nfs/dbraw/zinc/06/08/96/951060896.db2.gz ATIXDWTXSMDCBF-SECBINFHSA-N -1 1 390.810 1.349 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)cc1F)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575023312 951078471 /nfs/dbraw/zinc/07/84/71/951078471.db2.gz MPULQEFBVXFCPY-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)cc1F)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575023312 951078483 /nfs/dbraw/zinc/07/84/83/951078483.db2.gz MPULQEFBVXFCPY-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)c(F)c1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575023556 951080018 /nfs/dbraw/zinc/08/00/18/951080018.db2.gz NPNRIHLAKFIZIO-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)c(F)c1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575023556 951080029 /nfs/dbraw/zinc/08/00/29/951080029.db2.gz NPNRIHLAKFIZIO-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM CC(C)Oc1ccc(C(=O)NC[C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)cn1 ZINC001575024465 951105219 /nfs/dbraw/zinc/10/52/19/951105219.db2.gz FEZNAYAUBSTQHI-LLVKDONJSA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1ccc(C(=O)NC[C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)cn1 ZINC001575024465 951105225 /nfs/dbraw/zinc/10/52/25/951105225.db2.gz FEZNAYAUBSTQHI-LLVKDONJSA-N -1 1 383.416 1.069 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCC=C2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575024794 951114387 /nfs/dbraw/zinc/11/43/87/951114387.db2.gz MTLFBGRTHNNARA-LBPRGKRZSA-N -1 1 376.424 1.847 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCC=C2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575024794 951114394 /nfs/dbraw/zinc/11/43/94/951114394.db2.gz MTLFBGRTHNNARA-LBPRGKRZSA-N -1 1 376.424 1.847 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(C(F)F)c1F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575025783 951133607 /nfs/dbraw/zinc/13/36/07/951133607.db2.gz AGHZXXMDTGDTCE-QMMMGPOBSA-N -1 1 392.345 1.964 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(C(F)F)c1F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575025783 951133616 /nfs/dbraw/zinc/13/36/16/951133616.db2.gz AGHZXXMDTGDTCE-QMMMGPOBSA-N -1 1 392.345 1.964 20 0 GDADMM C[C@H](CNC(=O)c1cccc(F)c1Cl)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575025809 951134033 /nfs/dbraw/zinc/13/40/33/951134033.db2.gz AZCGRWJQXZTPHH-VIFPVBQESA-N -1 1 390.810 1.349 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(F)c1Cl)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575026885 951147541 /nfs/dbraw/zinc/14/75/41/951147541.db2.gz AOXBNKMOGFIBIU-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(F)c1Cl)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575026885 951147555 /nfs/dbraw/zinc/14/75/55/951147555.db2.gz AOXBNKMOGFIBIU-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2c1CCCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575029912 951192217 /nfs/dbraw/zinc/19/22/17/951192217.db2.gz YQEQGDNSPCDJEY-LBPRGKRZSA-N -1 1 378.440 1.766 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2c1CCCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575029912 951192223 /nfs/dbraw/zinc/19/22/23/951192223.db2.gz YQEQGDNSPCDJEY-LBPRGKRZSA-N -1 1 378.440 1.766 20 0 GDADMM C[C@H](CNC(=O)c1ccncc1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575034252 951241178 /nfs/dbraw/zinc/24/11/78/951241178.db2.gz KQFWGTBOYOTXRZ-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@H](CNC(=O)c1ccncc1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575034252 951241188 /nfs/dbraw/zinc/24/11/88/951241188.db2.gz KQFWGTBOYOTXRZ-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM CC(C)c1nc(C(=O)NC[C@H](C)CNc2cncc(-c3nnn[n-]3)n2)cs1 ZINC001575056611 951519772 /nfs/dbraw/zinc/51/97/72/951519772.db2.gz JPKXCQWHAIFWSP-SNVBAGLBSA-N -1 1 387.473 1.715 20 0 GDADMM CC(C)c1nc(C(=O)NC[C@H](C)CNc2cncc(-c3nn[n-]n3)n2)cs1 ZINC001575056611 951519776 /nfs/dbraw/zinc/51/97/76/951519776.db2.gz JPKXCQWHAIFWSP-SNVBAGLBSA-N -1 1 387.473 1.715 20 0 GDADMM C[C@H](CNC(=O)c1ncc(Cl)s1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575060633 951543204 /nfs/dbraw/zinc/54/32/04/951543204.db2.gz BOIHPAWNOZFWMJ-ZETCQYMHSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@H](CNC(=O)c1ncc(Cl)s1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575060633 951543215 /nfs/dbraw/zinc/54/32/15/951543215.db2.gz BOIHPAWNOZFWMJ-ZETCQYMHSA-N -1 1 379.837 1.245 20 0 GDADMM CC(C)(C)OC(=O)CCC[N@H+]1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001602877991 971754665 /nfs/dbraw/zinc/75/46/65/971754665.db2.gz JICNWNOLDZEEDD-JQWIXIFHSA-N -1 1 382.379 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1csc2c1CCCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575060952 951551871 /nfs/dbraw/zinc/55/18/71/951551871.db2.gz KIKMXWGEALAJNA-JTQLQIEISA-N -1 1 384.469 1.249 20 0 GDADMM C[C@H](CNC(=O)c1csnn1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575061620 951558099 /nfs/dbraw/zinc/55/80/99/951558099.db2.gz OOYNBDIBTHCODD-RXMQYKEDSA-N -1 1 385.866 1.306 20 0 GDADMM C[C@H](CNC(=O)c1csnn1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575061620 951558105 /nfs/dbraw/zinc/55/81/05/951558105.db2.gz OOYNBDIBTHCODD-RXMQYKEDSA-N -1 1 385.866 1.306 20 0 GDADMM C[C@@H](CNC(=O)c1nc(C(C)(C)C)cs1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575062809 951570782 /nfs/dbraw/zinc/57/07/82/951570782.db2.gz YUWNZEFGQOHEHM-VIFPVBQESA-N -1 1 387.473 1.641 20 0 GDADMM C[C@@H](CNC(=O)c1nc(C(C)(C)C)cs1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575062809 951570793 /nfs/dbraw/zinc/57/07/93/951570793.db2.gz YUWNZEFGQOHEHM-VIFPVBQESA-N -1 1 387.473 1.641 20 0 GDADMM C[C@H](CNC(=O)c1csc2c1CCCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575062543 951571942 /nfs/dbraw/zinc/57/19/42/951571942.db2.gz XOUYVKNGKYDSAR-SNVBAGLBSA-N -1 1 384.469 1.827 20 0 GDADMM C[C@H](CNC(=O)c1csc2c1CCCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575062543 951571949 /nfs/dbraw/zinc/57/19/49/951571949.db2.gz XOUYVKNGKYDSAR-SNVBAGLBSA-N -1 1 384.469 1.827 20 0 GDADMM C[C@H](CNC(=O)c1sccc1C(F)F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575070485 951649877 /nfs/dbraw/zinc/64/98/77/951649877.db2.gz QSEHWNJIFZEEKC-SSDOTTSWSA-N -1 1 380.384 1.886 20 0 GDADMM C[C@H](CNC(=O)c1sccc1C(F)F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575070485 951649882 /nfs/dbraw/zinc/64/98/82/951649882.db2.gz QSEHWNJIFZEEKC-SSDOTTSWSA-N -1 1 380.384 1.886 20 0 GDADMM C[C@H](CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)c1ccccn1 ZINC001575118226 951983151 /nfs/dbraw/zinc/98/31/51/951983151.db2.gz RGTTVOPLTJRUHZ-SNVBAGLBSA-N -1 1 378.845 1.997 20 0 GDADMM C[C@H](CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)c1ccccn1 ZINC001575118226 951983159 /nfs/dbraw/zinc/98/31/59/951983159.db2.gz RGTTVOPLTJRUHZ-SNVBAGLBSA-N -1 1 378.845 1.997 20 0 GDADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)C[C@@H]1CCCCO1)C1CC1 ZINC001575128132 952062991 /nfs/dbraw/zinc/06/29/91/952062991.db2.gz FGRBJLGXMHSXMC-SCLBCKFNSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)C[C@@H]1CCCCO1)C1CC1 ZINC001575128132 952062999 /nfs/dbraw/zinc/06/29/99/952062999.db2.gz FGRBJLGXMHSXMC-SCLBCKFNSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ccc2cnccc2c1 ZINC001575131844 952088453 /nfs/dbraw/zinc/08/84/53/952088453.db2.gz BXUFAPLAENGHEO-GFCCVEGCSA-N -1 1 389.423 1.778 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ccc2cnccc2c1 ZINC001575131844 952088461 /nfs/dbraw/zinc/08/84/61/952088461.db2.gz BXUFAPLAENGHEO-GFCCVEGCSA-N -1 1 389.423 1.778 20 0 GDADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)C1=CCCCCC1)C1CC1 ZINC001575132705 952096495 /nfs/dbraw/zinc/09/64/95/952096495.db2.gz AGAHODFEFJGGPS-LJQANCHMSA-N -1 1 382.472 1.666 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1sccc1Cl ZINC001575132802 952097955 /nfs/dbraw/zinc/09/79/55/952097955.db2.gz BFCCSEDRJPZEHM-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1sccc1Cl ZINC001575132802 952097964 /nfs/dbraw/zinc/09/79/64/952097964.db2.gz BFCCSEDRJPZEHM-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ncc(Cl)s1 ZINC001575133254 952102276 /nfs/dbraw/zinc/10/22/76/952102276.db2.gz CYANQLZMPFDPLR-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ncc(Cl)s1 ZINC001575133254 952102280 /nfs/dbraw/zinc/10/22/80/952102280.db2.gz CYANQLZMPFDPLR-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cc2c([nH]1)CCCC2 ZINC001575134252 952108728 /nfs/dbraw/zinc/10/87/28/952108728.db2.gz NBSCXSKOGGOCKD-NSHDSACASA-N -1 1 381.444 1.436 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cc2c([nH]1)CCCC2 ZINC001575134252 952108734 /nfs/dbraw/zinc/10/87/34/952108734.db2.gz NBSCXSKOGGOCKD-NSHDSACASA-N -1 1 381.444 1.436 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)C(C)(C)CC(F)(F)F ZINC001575136469 952126596 /nfs/dbraw/zinc/12/65/96/952126596.db2.gz VLQBDDXMQJRFQP-SECBINFHSA-N -1 1 386.382 1.894 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)C(C)(C)CC(F)(F)F ZINC001575136469 952126599 /nfs/dbraw/zinc/12/65/99/952126599.db2.gz VLQBDDXMQJRFQP-SECBINFHSA-N -1 1 386.382 1.894 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)C[C@@H]1CCCC1(F)F ZINC001575136953 952131396 /nfs/dbraw/zinc/13/13/96/952131396.db2.gz YGKGCCIMOGEBOD-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)C[C@@H]1CCCC1(F)F ZINC001575136953 952131404 /nfs/dbraw/zinc/13/14/04/952131404.db2.gz YGKGCCIMOGEBOD-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@H]1CCc2cccnc21 ZINC001575136989 952132844 /nfs/dbraw/zinc/13/28/44/952132844.db2.gz YWOBQIMKIDDOGA-AAEUAGOBSA-N -1 1 379.428 1.041 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@H]1CCc2cccnc21 ZINC001575136989 952132849 /nfs/dbraw/zinc/13/28/49/952132849.db2.gz YWOBQIMKIDDOGA-AAEUAGOBSA-N -1 1 379.428 1.041 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)Cc1ccc(Cl)cc1 ZINC001575142812 952149128 /nfs/dbraw/zinc/14/91/28/952149128.db2.gz MDEABXDMYPPNBF-NSHDSACASA-N -1 1 386.847 1.234 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C1(C2CCCCC2)CC1 ZINC001575143955 952159307 /nfs/dbraw/zinc/15/93/07/952159307.db2.gz SQRGAPIHAFUXKI-CYBMUJFWSA-N -1 1 384.488 1.698 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc2occc2s1 ZINC001575144802 952171950 /nfs/dbraw/zinc/17/19/50/952171950.db2.gz LUAGUWYFGFYNEF-VIFPVBQESA-N -1 1 384.425 1.459 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc(Cl)cc1F ZINC001575145011 952176997 /nfs/dbraw/zinc/17/69/97/952176997.db2.gz ODAVDIUQFUFHQD-SECBINFHSA-N -1 1 390.810 1.444 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc(Cl)cc1F ZINC001575145012 952177154 /nfs/dbraw/zinc/17/71/54/952177154.db2.gz ODAVDIUQFUFHQD-VIFPVBQESA-N -1 1 390.810 1.444 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)C1CCC(F)(F)CC1 ZINC001575153197 952206399 /nfs/dbraw/zinc/20/63/99/952206399.db2.gz FBUJREMIKDVUKG-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)C1CCC(F)(F)CC1 ZINC001575153197 952206401 /nfs/dbraw/zinc/20/64/01/952206401.db2.gz FBUJREMIKDVUKG-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)CC[C@@H]1CC(C)(C)CO1 ZINC001575154149 952216564 /nfs/dbraw/zinc/21/65/64/952216564.db2.gz OXEJELJIGHBZRD-QWHCGFSZSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)CC[C@@H]1CC(C)(C)CO1 ZINC001575154149 952216570 /nfs/dbraw/zinc/21/65/70/952216570.db2.gz OXEJELJIGHBZRD-QWHCGFSZSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1c[nH]nc1C(C)(C)C ZINC001575154333 952220090 /nfs/dbraw/zinc/22/00/90/952220090.db2.gz BISJOXXNZYXZEX-SNVBAGLBSA-N -1 1 384.448 1.250 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1c[nH]nc1C(C)(C)C ZINC001575154333 952220096 /nfs/dbraw/zinc/22/00/96/952220096.db2.gz BISJOXXNZYXZEX-SNVBAGLBSA-N -1 1 384.448 1.250 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1noc2c1CCCC2 ZINC001575154330 952220310 /nfs/dbraw/zinc/22/03/10/952220310.db2.gz BHSMHSLCCSISCB-JTQLQIEISA-N -1 1 383.416 1.096 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1noc2c1CCCC2 ZINC001575154330 952220319 /nfs/dbraw/zinc/22/03/19/952220319.db2.gz BHSMHSLCCSISCB-JTQLQIEISA-N -1 1 383.416 1.096 20 0 GDADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)c1ccc(F)cc1)C1CC1 ZINC001575155055 952234362 /nfs/dbraw/zinc/23/43/62/952234362.db2.gz JWMCPVPHMNCYHO-GOSISDBHSA-N -1 1 382.403 1.806 20 0 GDADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)c1ccc(F)cc1)C1CC1 ZINC001575155055 952234366 /nfs/dbraw/zinc/23/43/66/952234366.db2.gz JWMCPVPHMNCYHO-GOSISDBHSA-N -1 1 382.403 1.806 20 0 GDADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)C1CC1 ZINC001575155648 952243097 /nfs/dbraw/zinc/24/30/97/952243097.db2.gz OXUCKXXYXRYXOA-CFNLKKDLSA-N -1 1 382.472 1.790 20 0 GDADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)C1CC1 ZINC001575155648 952243106 /nfs/dbraw/zinc/24/31/06/952243106.db2.gz OXUCKXXYXRYXOA-CFNLKKDLSA-N -1 1 382.472 1.790 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H]1CCCCC1(F)F ZINC001575156317 952251474 /nfs/dbraw/zinc/25/14/74/952251474.db2.gz DPHUWHOLQIMMSW-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCCCC1(F)F ZINC001575156317 952251480 /nfs/dbraw/zinc/25/14/80/952251480.db2.gz DPHUWHOLQIMMSW-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1coc(C(C)(C)C)n1 ZINC001575156510 952253877 /nfs/dbraw/zinc/25/38/77/952253877.db2.gz SSHDCCDCTPVCHI-SNVBAGLBSA-N -1 1 385.432 1.515 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1coc(C(C)(C)C)n1 ZINC001575156510 952253883 /nfs/dbraw/zinc/25/38/83/952253883.db2.gz SSHDCCDCTPVCHI-SNVBAGLBSA-N -1 1 385.432 1.515 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)C1(Cc2ccccc2)CC1 ZINC001575156589 952255279 /nfs/dbraw/zinc/25/52/79/952255279.db2.gz VGKHJTDTTHCMNS-AWEZNQCLSA-N -1 1 392.467 1.938 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)C1(Cc2ccccc2)CC1 ZINC001575156589 952255285 /nfs/dbraw/zinc/25/52/85/952255285.db2.gz VGKHJTDTTHCMNS-AWEZNQCLSA-N -1 1 392.467 1.938 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H]1Cc2ccc(F)cc21 ZINC001575156634 952256587 /nfs/dbraw/zinc/25/65/87/952256587.db2.gz HARHAHAVZITIDC-YGRLFVJLSA-N -1 1 382.403 1.395 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1Cc2ccc(F)cc21 ZINC001575156634 952256590 /nfs/dbraw/zinc/25/65/90/952256590.db2.gz HARHAHAVZITIDC-YGRLFVJLSA-N -1 1 382.403 1.395 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001575156708 952256682 /nfs/dbraw/zinc/25/66/82/952256682.db2.gz HRMKSGYEGQABQU-IAMHBRQHSA-N -1 1 392.467 1.893 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001575156708 952256687 /nfs/dbraw/zinc/25/66/87/952256687.db2.gz HRMKSGYEGQABQU-IAMHBRQHSA-N -1 1 392.467 1.893 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1scnc1C1CC1 ZINC001575156816 952258471 /nfs/dbraw/zinc/25/84/71/952258471.db2.gz VYDZYXMCCJSMOQ-VIFPVBQESA-N -1 1 385.457 1.563 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1scnc1C1CC1 ZINC001575156816 952258477 /nfs/dbraw/zinc/25/84/77/952258477.db2.gz VYDZYXMCCJSMOQ-VIFPVBQESA-N -1 1 385.457 1.563 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CCCc1cccs1 ZINC001575159014 952274850 /nfs/dbraw/zinc/27/48/50/952274850.db2.gz YBPLWHGNFVSYOF-GFCCVEGCSA-N -1 1 386.485 2.000 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CCCc1cccs1 ZINC001575159014 952274855 /nfs/dbraw/zinc/27/48/55/952274855.db2.gz YBPLWHGNFVSYOF-GFCCVEGCSA-N -1 1 386.485 2.000 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)Cc1ccc(F)cc1F ZINC001575159082 952276914 /nfs/dbraw/zinc/27/69/14/952276914.db2.gz YSFFTQFGFPILLQ-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)Cc1ccc(F)cc1F ZINC001575159082 952276921 /nfs/dbraw/zinc/27/69/21/952276921.db2.gz YSFFTQFGFPILLQ-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)c1cn(C)cn1 ZINC001575164847 952301371 /nfs/dbraw/zinc/30/13/71/952301371.db2.gz IFLURXBDEOLXOU-ZETCQYMHSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)c1cn(C)cn1 ZINC001575164847 952301374 /nfs/dbraw/zinc/30/13/74/952301374.db2.gz IFLURXBDEOLXOU-ZETCQYMHSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)c1cccnn1 ZINC001575165577 952309965 /nfs/dbraw/zinc/30/99/65/952309965.db2.gz POMXMUKGBDZRQI-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)Cc1cnoc1 ZINC001575165973 952318255 /nfs/dbraw/zinc/31/82/55/952318255.db2.gz RMNKWGAOOGNZIU-SSDOTTSWSA-N -1 1 382.837 1.466 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)Cc1cnoc1 ZINC001575165973 952318264 /nfs/dbraw/zinc/31/82/64/952318264.db2.gz RMNKWGAOOGNZIU-SSDOTTSWSA-N -1 1 382.837 1.466 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)C1CCC(F)(F)CC1 ZINC001575174249 952368589 /nfs/dbraw/zinc/36/85/89/952368589.db2.gz KMWWNFKEIRLFAV-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)C1CCC(F)(F)CC1 ZINC001575174249 952368597 /nfs/dbraw/zinc/36/85/97/952368597.db2.gz KMWWNFKEIRLFAV-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@](CO)(NC(=O)c1ccc(-c2nnn[n-]2)o1)c1cccc(Br)c1 ZINC001575179010 952409821 /nfs/dbraw/zinc/40/98/21/952409821.db2.gz RZFPRVZUYFOUPP-HNNXBMFYSA-N -1 1 392.213 1.860 20 0 GDADMM C[C@@](CO)(NC(=O)c1ccc(-c2nn[n-]n2)o1)c1cccc(Br)c1 ZINC001575179010 952409825 /nfs/dbraw/zinc/40/98/25/952409825.db2.gz RZFPRVZUYFOUPP-HNNXBMFYSA-N -1 1 392.213 1.860 20 0 GDADMM C[C@@H](COc1ccccc1F)NS(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001575179148 952410107 /nfs/dbraw/zinc/41/01/07/952410107.db2.gz TUCHGBQBWVOQKI-VIFPVBQESA-N -1 1 383.430 1.813 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1coc(C2CCC2)n1 ZINC001575179797 952414788 /nfs/dbraw/zinc/41/47/88/952414788.db2.gz QVQZCMIOFVVWSL-SNVBAGLBSA-N -1 1 383.416 1.485 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1coc(C2CCC2)n1 ZINC001575179797 952414790 /nfs/dbraw/zinc/41/47/90/952414790.db2.gz QVQZCMIOFVVWSL-SNVBAGLBSA-N -1 1 383.416 1.485 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)C1=CCOCC1 ZINC001575180894 952420301 /nfs/dbraw/zinc/42/03/01/952420301.db2.gz WWOYZOYOJWDXDH-QMMMGPOBSA-N -1 1 383.865 1.582 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)C1=CCOCC1 ZINC001575180894 952420304 /nfs/dbraw/zinc/42/03/04/952420304.db2.gz WWOYZOYOJWDXDH-QMMMGPOBSA-N -1 1 383.865 1.582 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575187526 952440889 /nfs/dbraw/zinc/44/08/89/952440889.db2.gz CQRWCEPFJNGQLC-QWHCGFSZSA-N -1 1 382.428 1.166 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575187526 952440892 /nfs/dbraw/zinc/44/08/92/952440892.db2.gz CQRWCEPFJNGQLC-QWHCGFSZSA-N -1 1 382.428 1.166 20 0 GDADMM C[C@H](Cc1cccc(F)c1)C(=O)N[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575187478 952441749 /nfs/dbraw/zinc/44/17/49/952441749.db2.gz CCVTXVLOYPAYJL-NEPJUHHUSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@H](Cc1cccc(F)c1)C(=O)N[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575187478 952441753 /nfs/dbraw/zinc/44/17/53/952441753.db2.gz CCVTXVLOYPAYJL-NEPJUHHUSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@@H](Cc1ccc(F)cc1)C(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001575188642 952449977 /nfs/dbraw/zinc/44/99/77/952449977.db2.gz KOQUTEXZDKBWPG-LBPRGKRZSA-N -1 1 384.419 1.545 20 0 GDADMM C[C@@H](Cc1ccc(F)cc1)C(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001575188642 952449980 /nfs/dbraw/zinc/44/99/80/952449980.db2.gz KOQUTEXZDKBWPG-LBPRGKRZSA-N -1 1 384.419 1.545 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H](C)Cc1ccccc1F ZINC001575189811 952458763 /nfs/dbraw/zinc/45/87/63/952458763.db2.gz QUFMRLSIALYMBX-RYUDHWBXSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H](C)Cc1ccccc1F ZINC001575189811 952458770 /nfs/dbraw/zinc/45/87/70/952458770.db2.gz QUFMRLSIALYMBX-RYUDHWBXSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@@H](Cc1ccc(F)cc1)C(=O)NCCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575190649 952464219 /nfs/dbraw/zinc/46/42/19/952464219.db2.gz VFAPTHRLXHAYGQ-LBPRGKRZSA-N -1 1 384.419 1.227 20 0 GDADMM C[C@@H](Cc1ccc(F)cc1)C(=O)NCCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575190649 952464221 /nfs/dbraw/zinc/46/42/21/952464221.db2.gz VFAPTHRLXHAYGQ-LBPRGKRZSA-N -1 1 384.419 1.227 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575191162 952465932 /nfs/dbraw/zinc/46/59/32/952465932.db2.gz XMBJSLRWBSRVDR-CHWSQXEVSA-N -1 1 382.428 1.166 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001575197285 952481657 /nfs/dbraw/zinc/48/16/57/952481657.db2.gz RRXISDVKNHJEBO-BXUZGUMPSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001575197285 952481661 /nfs/dbraw/zinc/48/16/61/952481661.db2.gz RRXISDVKNHJEBO-BXUZGUMPSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575197429 952484888 /nfs/dbraw/zinc/48/48/88/952484888.db2.gz VQPGNFJIABZBFG-QWHCGFSZSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575197429 952484891 /nfs/dbraw/zinc/48/48/91/952484891.db2.gz VQPGNFJIABZBFG-QWHCGFSZSA-N -1 1 382.428 1.214 20 0 GDADMM Cc1ccccc1C(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001571119578 952492603 /nfs/dbraw/zinc/49/26/03/952492603.db2.gz CVCQUAVJQXFKKC-OKILXGFUSA-N -1 1 376.424 1.174 20 0 GDADMM Cc1ccccc1C(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001571119578 952492608 /nfs/dbraw/zinc/49/26/08/952492608.db2.gz CVCQUAVJQXFKKC-OKILXGFUSA-N -1 1 376.424 1.174 20 0 GDADMM Cc1ccc(C)c(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(-c3nn[n-]n3)n2)c1 ZINC001571119603 952493462 /nfs/dbraw/zinc/49/34/62/952493462.db2.gz DIKIQFGWOFFNLC-KBPBESRZSA-N -1 1 376.424 1.377 20 0 GDADMM CC(C)[C@@H](F)C(=O)N1CCC[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571121666 952520463 /nfs/dbraw/zinc/52/04/63/952520463.db2.gz BJMUHCLJFZBEKK-TZMCWYRMSA-N -1 1 376.440 1.113 20 0 GDADMM CC(C)[C@H](F)C(=O)N1CCC[C@@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571121664 952520787 /nfs/dbraw/zinc/52/07/87/952520787.db2.gz BJMUHCLJFZBEKK-JSGCOSHPSA-N -1 1 376.440 1.113 20 0 GDADMM CC(C)[C@@H](F)C(=O)N1CCC[C@@H](CN(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571121954 952524204 /nfs/dbraw/zinc/52/42/04/952524204.db2.gz GGBGGRWOWNMTHC-SWLSCSKDSA-N -1 1 376.440 1.326 20 0 GDADMM CC(C)[C@@H](F)C(=O)N1CCC[C@@H](CN(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571121954 952524208 /nfs/dbraw/zinc/52/42/08/952524208.db2.gz GGBGGRWOWNMTHC-SWLSCSKDSA-N -1 1 376.440 1.326 20 0 GDADMM Cc1nsc(N2CCC[C@@H](NC(=O)c3cncs3)C2)c1-c1nn[n-]n1 ZINC001571122781 952526179 /nfs/dbraw/zinc/52/61/79/952526179.db2.gz LBSVPQSCNMCGHS-SECBINFHSA-N -1 1 376.471 1.487 20 0 GDADMM COc1ncc(NC(=O)c2cncc(OCC(F)F)c2)cc1-c1nn[n-]n1 ZINC001571123144 952529605 /nfs/dbraw/zinc/52/96/05/952529605.db2.gz QENRCWRRKYODSJ-UHFFFAOYSA-N -1 1 377.311 1.562 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N(C)[C@@H]2CCCN(C(=O)[C@@H](F)CC)C2)n1 ZINC001571124049 952533826 /nfs/dbraw/zinc/53/38/26/952533826.db2.gz YBCHTTHEAKAIOT-NEPJUHHUSA-N -1 1 376.440 1.394 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N(C)[C@@H]2CCCN(C(=O)[C@@H](F)CC)C2)n1 ZINC001571124049 952533831 /nfs/dbraw/zinc/53/38/31/952533831.db2.gz YBCHTTHEAKAIOT-NEPJUHHUSA-N -1 1 376.440 1.394 20 0 GDADMM O=S(=O)(N[C@@H]1C[C@H]1c1ccccc1F)c1ccc(F)cc1-c1nn[n-]n1 ZINC001571124213 952535197 /nfs/dbraw/zinc/53/51/97/952535197.db2.gz BFQPJPXAPSNMHU-SMDDNHRTSA-N -1 1 377.376 1.979 20 0 GDADMM C[C@](O)(C(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1)c1ccc(F)cc1 ZINC001571124444 952539016 /nfs/dbraw/zinc/53/90/16/952539016.db2.gz JBQWIGDHTCSYOF-QGZVFWFLSA-N -1 1 377.326 1.808 20 0 GDADMM C[C@](O)(C(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1)c1ccc(F)cc1 ZINC001571124444 952539017 /nfs/dbraw/zinc/53/90/17/952539017.db2.gz JBQWIGDHTCSYOF-QGZVFWFLSA-N -1 1 377.326 1.808 20 0 GDADMM Cc1nsc(N[C@H]2CCCN(C(=O)c3cnsn3)C2)c1-c1nn[n-]n1 ZINC001571127571 952558244 /nfs/dbraw/zinc/55/82/44/952558244.db2.gz INZZKOZJZAMIJJ-QMMMGPOBSA-N -1 1 377.459 1.200 20 0 GDADMM CO[C@H](C)C(=O)N1CC[C@]2(CCN(c3snc(C)c3-c3nn[n-]n3)C2)C1 ZINC001571128069 952561746 /nfs/dbraw/zinc/56/17/46/952561746.db2.gz ONTHLXNXFGOMPQ-BZNIZROVSA-N -1 1 377.474 1.095 20 0 GDADMM O=C(c1ccnnc1)N1CC[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571128408 952566067 /nfs/dbraw/zinc/56/60/67/952566067.db2.gz SXVXCAPTNWQNMU-MRVPVSSYSA-N -1 1 377.821 1.093 20 0 GDADMM O=C(c1ccnnc1)N1CC[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571128408 952566069 /nfs/dbraw/zinc/56/60/69/952566069.db2.gz SXVXCAPTNWQNMU-MRVPVSSYSA-N -1 1 377.821 1.093 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001575221635 952570610 /nfs/dbraw/zinc/57/06/10/952570610.db2.gz AFKMJZXXGFZGGJ-SNVBAGLBSA-N -1 1 378.387 1.035 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001575221635 952570613 /nfs/dbraw/zinc/57/06/13/952570613.db2.gz AFKMJZXXGFZGGJ-SNVBAGLBSA-N -1 1 378.387 1.035 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575215897 952570768 /nfs/dbraw/zinc/57/07/68/952570768.db2.gz YNMKDMVGDNXPOL-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575215897 952570775 /nfs/dbraw/zinc/57/07/75/952570775.db2.gz YNMKDMVGDNXPOL-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM O=C([C@@H]1CCCCC1(F)F)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571129343 952574506 /nfs/dbraw/zinc/57/45/06/952574506.db2.gz CQDIVUVDRMCTDU-QWRGUYRKSA-N -1 1 378.387 1.495 20 0 GDADMM O=C([C@@H]1CCCCC1(F)F)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571129343 952574511 /nfs/dbraw/zinc/57/45/11/952574511.db2.gz CQDIVUVDRMCTDU-QWRGUYRKSA-N -1 1 378.387 1.495 20 0 GDADMM C[C@H]1C[C@H](NC(=O)C2CC(F)(F)C2)CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571130250 952579336 /nfs/dbraw/zinc/57/93/36/952579336.db2.gz QXPWXOQOKDHWOA-GXSJLCMTSA-N -1 1 378.387 1.176 20 0 GDADMM C[C@H]1C[C@H](NC(=O)C2CC(F)(F)C2)CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571130250 952579339 /nfs/dbraw/zinc/57/93/39/952579339.db2.gz QXPWXOQOKDHWOA-GXSJLCMTSA-N -1 1 378.387 1.176 20 0 GDADMM O=C([C@@H]1CCC1(F)F)N1CCC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571130731 952581753 /nfs/dbraw/zinc/58/17/53/952581753.db2.gz VSEBBRMVSRJTGW-MNOVXSKESA-N -1 1 378.387 1.353 20 0 GDADMM O=C([C@@H]1CCC1(F)F)N1CCC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571130731 952581757 /nfs/dbraw/zinc/58/17/57/952581757.db2.gz VSEBBRMVSRJTGW-MNOVXSKESA-N -1 1 378.387 1.353 20 0 GDADMM Cc1ccccc1CC(=O)N(C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571133999 952584288 /nfs/dbraw/zinc/58/42/88/952584288.db2.gz AVQQNYOKIBNKJZ-OAHLLOKOSA-N -1 1 378.440 1.245 20 0 GDADMM Cc1ccccc1CC(=O)N(C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571133999 952584293 /nfs/dbraw/zinc/58/42/93/952584293.db2.gz AVQQNYOKIBNKJZ-OAHLLOKOSA-N -1 1 378.440 1.245 20 0 GDADMM Cc1cccc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)[C@@H](C)C2)c1 ZINC001571134193 952587010 /nfs/dbraw/zinc/58/70/10/952587010.db2.gz GCBNRAUUXAODHB-DZGCQCFKSA-N -1 1 378.440 1.752 20 0 GDADMM Cc1cccc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)[C@@H](C)C2)c1 ZINC001571134193 952587013 /nfs/dbraw/zinc/58/70/13/952587013.db2.gz GCBNRAUUXAODHB-DZGCQCFKSA-N -1 1 378.440 1.752 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccccc1 ZINC001571134329 952588419 /nfs/dbraw/zinc/58/84/19/952588419.db2.gz DJUIZIAIOIMXPX-XJKCOSOUSA-N -1 1 378.440 1.719 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccccc1 ZINC001571134329 952588424 /nfs/dbraw/zinc/58/84/24/952588424.db2.gz DJUIZIAIOIMXPX-XJKCOSOUSA-N -1 1 378.440 1.719 20 0 GDADMM CCc1ccccc1C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)[C@H]1C ZINC001571134416 952590575 /nfs/dbraw/zinc/59/05/75/952590575.db2.gz FWLMDADAAFRJLI-DOMZBBRYSA-N -1 1 378.440 1.934 20 0 GDADMM CCc1ccccc1C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)[C@H]1C ZINC001571134416 952590581 /nfs/dbraw/zinc/59/05/81/952590581.db2.gz FWLMDADAAFRJLI-DOMZBBRYSA-N -1 1 378.440 1.934 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](NC(=O)[C@H](C)c3ccccc3)C2)n1 ZINC001571134715 952593950 /nfs/dbraw/zinc/59/39/50/952593950.db2.gz KIHKHXPQDLICIJ-UKRRQHHQSA-N -1 1 378.440 1.464 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)[C@H](C)c3ccccc3)C2)n1 ZINC001571134715 952593953 /nfs/dbraw/zinc/59/39/53/952593953.db2.gz KIHKHXPQDLICIJ-UKRRQHHQSA-N -1 1 378.440 1.464 20 0 GDADMM Cc1cccc(C)c1C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571135094 952599129 /nfs/dbraw/zinc/59/91/29/952599129.db2.gz RKBZMXADRPQUFQ-AWEZNQCLSA-N -1 1 378.440 1.672 20 0 GDADMM Cc1cccc(C)c1C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571135094 952599131 /nfs/dbraw/zinc/59/91/31/952599131.db2.gz RKBZMXADRPQUFQ-AWEZNQCLSA-N -1 1 378.440 1.672 20 0 GDADMM Cc1ccccc1C(=O)N1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1 ZINC001571135092 952599825 /nfs/dbraw/zinc/59/98/25/952599825.db2.gz RIHUJKJQPYXXQD-OAHLLOKOSA-N -1 1 378.440 1.928 20 0 GDADMM Cc1ccccc1C(=O)N1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C1 ZINC001571135092 952599828 /nfs/dbraw/zinc/59/98/28/952599828.db2.gz RIHUJKJQPYXXQD-OAHLLOKOSA-N -1 1 378.440 1.928 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@@H]2C)cc1C ZINC001571135354 952602214 /nfs/dbraw/zinc/60/22/14/952602214.db2.gz VZYKBCRCBMTPDU-ZFWWWQNUSA-N -1 1 378.440 1.989 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@@H]2C)cc1C ZINC001571135354 952602217 /nfs/dbraw/zinc/60/22/17/952602217.db2.gz VZYKBCRCBMTPDU-ZFWWWQNUSA-N -1 1 378.440 1.989 20 0 GDADMM Cc1cccc(CC(=O)N2CCCN(c3cncc(-c4nnn[n-]4)n3)CC2)c1 ZINC001571135321 952602899 /nfs/dbraw/zinc/60/28/99/952602899.db2.gz VPXVGTAFPRQCMH-UHFFFAOYSA-N -1 1 378.440 1.247 20 0 GDADMM Cc1cccc(CC(=O)N2CCCN(c3cncc(-c4nn[n-]n4)n3)CC2)c1 ZINC001571135321 952602901 /nfs/dbraw/zinc/60/29/01/952602901.db2.gz VPXVGTAFPRQCMH-UHFFFAOYSA-N -1 1 378.440 1.247 20 0 GDADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NCc1cnccc1C(F)(F)F ZINC001571140007 952622277 /nfs/dbraw/zinc/62/22/77/952622277.db2.gz MZVMQUWKGPMVOM-UHFFFAOYSA-N -1 1 379.302 1.620 20 0 GDADMM O=C(NC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1c[nH]cc1C1CC1 ZINC001571146318 952648734 /nfs/dbraw/zinc/64/87/34/952648734.db2.gz FYBBOFNJJWYZBT-NSHDSACASA-N -1 1 379.428 1.119 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001571147156 952657550 /nfs/dbraw/zinc/65/75/50/952657550.db2.gz HUNOLIYGRYQRRF-KBPBESRZSA-N -1 1 379.428 1.177 20 0 GDADMM CCc1ccnc(C(=O)N2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@@H](C)C2)c1 ZINC001571147557 952662486 /nfs/dbraw/zinc/66/24/86/952662486.db2.gz NPWBHRDPLRAAHK-NHYWBVRUSA-N -1 1 379.428 1.187 20 0 GDADMM CCc1ccnc(C(=O)N2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@@H](C)C2)c1 ZINC001571147557 952662490 /nfs/dbraw/zinc/66/24/90/952662490.db2.gz NPWBHRDPLRAAHK-NHYWBVRUSA-N -1 1 379.428 1.187 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCc1ccccn1 ZINC001571147567 952662699 /nfs/dbraw/zinc/66/26/99/952662699.db2.gz NZAQVRZTYDQCDP-OCCSQVGLSA-N -1 1 379.428 1.086 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1ccccn1 ZINC001571147567 952662701 /nfs/dbraw/zinc/66/27/01/952662701.db2.gz NZAQVRZTYDQCDP-OCCSQVGLSA-N -1 1 379.428 1.086 20 0 GDADMM Cc1nsc(N[C@@H](C)[C@@H]2CN(C(=O)C(C)(C)C)CCO2)c1-c1nn[n-]n1 ZINC001571152881 952683756 /nfs/dbraw/zinc/68/37/56/952683756.db2.gz KCWBCIACJXIDAB-ONGXEEELSA-N -1 1 379.490 1.706 20 0 GDADMM Cc1nc[nH]c1C(=O)N1CC[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571153360 952686034 /nfs/dbraw/zinc/68/60/34/952686034.db2.gz PQHITTDPWCGPSI-SSDOTTSWSA-N -1 1 379.837 1.335 20 0 GDADMM O=C(N[C@@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1)[C@@H]1CC12CCC2 ZINC001571153670 952687788 /nfs/dbraw/zinc/68/77/88/952687788.db2.gz TYJQZBLMKCUIDK-BDAKNGLRSA-N -1 1 379.877 1.862 20 0 GDADMM O=C(N[C@@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1)[C@@H]1CC12CCC2 ZINC001571153670 952687792 /nfs/dbraw/zinc/68/77/92/952687792.db2.gz TYJQZBLMKCUIDK-BDAKNGLRSA-N -1 1 379.877 1.862 20 0 GDADMM O=C(C1CCC1)N1C[C@@H]2CN(c3snc(Cl)c3-c3nnn[n-]3)C[C@@H]2C1 ZINC001571153911 952688663 /nfs/dbraw/zinc/68/86/63/952688663.db2.gz VEQCFOWTOCWUTO-AOOOYVTPSA-N -1 1 379.877 1.671 20 0 GDADMM O=C(C1CCC1)N1C[C@@H]2CN(c3snc(Cl)c3-c3nn[n-]n3)C[C@@H]2C1 ZINC001571153911 952688666 /nfs/dbraw/zinc/68/86/66/952688666.db2.gz VEQCFOWTOCWUTO-AOOOYVTPSA-N -1 1 379.877 1.671 20 0 GDADMM CN(c1ncccc1-c1nn[nH]n1)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001571155043 952691449 /nfs/dbraw/zinc/69/14/49/952691449.db2.gz FNLFEVGTQYTQPU-LBPRGKRZSA-N -1 1 380.412 1.103 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)[C@H](C)C1)C(C)(F)F ZINC001571155226 952694136 /nfs/dbraw/zinc/69/41/36/952694136.db2.gz LFFWBKLPIPPDIT-OUAUKWLOSA-N -1 1 380.403 1.454 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)[C@H](C)C1)C(C)(F)F ZINC001571155226 952694140 /nfs/dbraw/zinc/69/41/40/952694140.db2.gz LFFWBKLPIPPDIT-OUAUKWLOSA-N -1 1 380.403 1.454 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)[C@H]2CCN(C(=O)CC(C)(F)F)C2)n1 ZINC001571155538 952698279 /nfs/dbraw/zinc/69/82/79/952698279.db2.gz VSXSGVNXXVQBSR-QWRGUYRKSA-N -1 1 380.403 1.659 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)[C@H]2CCN(C(=O)CC(C)(F)F)C2)n1 ZINC001571155538 952698281 /nfs/dbraw/zinc/69/82/81/952698281.db2.gz VSXSGVNXXVQBSR-QWRGUYRKSA-N -1 1 380.403 1.659 20 0 GDADMM CCOc1ccccc1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571155773 952699672 /nfs/dbraw/zinc/69/96/72/952699672.db2.gz ZSLIKLUZTWYPJK-LBPRGKRZSA-N -1 1 380.412 1.064 20 0 GDADMM CCOc1ccccc1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571155773 952699678 /nfs/dbraw/zinc/69/96/78/952699678.db2.gz ZSLIKLUZTWYPJK-LBPRGKRZSA-N -1 1 380.412 1.064 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H](CCNc3cncc(-c4nnn[n-]4)n3)C2)ccn1 ZINC001571158017 952709422 /nfs/dbraw/zinc/70/94/22/952709422.db2.gz PVUNQRIDMTXUON-ZDUSSCGKSA-N -1 1 379.428 1.324 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H](CCNc3cncc(-c4nn[n-]n4)n3)C2)ccn1 ZINC001571158017 952709427 /nfs/dbraw/zinc/70/94/27/952709427.db2.gz PVUNQRIDMTXUON-ZDUSSCGKSA-N -1 1 379.428 1.324 20 0 GDADMM Cc1cccc(C(=O)N2CCCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001571158889 952714616 /nfs/dbraw/zinc/71/46/16/952714616.db2.gz TYUCZMSTPQMTDM-ZDUSSCGKSA-N -1 1 379.428 1.467 20 0 GDADMM Cc1cccc(C(=O)N2CCCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001571158889 952714620 /nfs/dbraw/zinc/71/46/20/952714620.db2.gz TYUCZMSTPQMTDM-ZDUSSCGKSA-N -1 1 379.428 1.467 20 0 GDADMM O=C(c1ccoc1)N1CCC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CC[C@H]21 ZINC001571161217 952730478 /nfs/dbraw/zinc/73/04/78/952730478.db2.gz RJZDRARSPFQBBV-GXTWGEPZSA-N -1 1 380.412 1.381 20 0 GDADMM O=C(C1=CCCC1)N1C[C@@H]2CCC[C@H](Nc3nccnc3-c3nnn[n-]3)[C@@H]2C1 ZINC001571171755 952796740 /nfs/dbraw/zinc/79/67/40/952796740.db2.gz FWCOSZQLMZSKLY-ZNMIVQPWSA-N -1 1 380.456 1.806 20 0 GDADMM O=C(C1=CCCC1)N1C[C@@H]2CCC[C@H](Nc3nccnc3-c3nn[n-]n3)[C@@H]2C1 ZINC001571171755 952796749 /nfs/dbraw/zinc/79/67/49/952796749.db2.gz FWCOSZQLMZSKLY-ZNMIVQPWSA-N -1 1 380.456 1.806 20 0 GDADMM C[C@]1(NC(=O)c2cocn2)CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571172070 952801311 /nfs/dbraw/zinc/80/13/11/952801311.db2.gz LMAUJRXLHZFZLW-ZDUSSCGKSA-N -1 1 380.821 1.363 20 0 GDADMM C[C@]1(NC(=O)c2cocn2)CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571172070 952801313 /nfs/dbraw/zinc/80/13/13/952801313.db2.gz LMAUJRXLHZFZLW-ZDUSSCGKSA-N -1 1 380.821 1.363 20 0 GDADMM Cc1noc(C2CC2)c1C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571176098 952827650 /nfs/dbraw/zinc/82/76/50/952827650.db2.gz KXUFEHCNEGIBPW-LLVKDONJSA-N -1 1 381.400 1.157 20 0 GDADMM Cc1noc(C2CC2)c1C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571176098 952827653 /nfs/dbraw/zinc/82/76/53/952827653.db2.gz KXUFEHCNEGIBPW-LLVKDONJSA-N -1 1 381.400 1.157 20 0 GDADMM CCc1nc(NC[C@H]2CN(C(=O)c3ccc[nH]3)C[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571183603 952880648 /nfs/dbraw/zinc/88/06/48/952880648.db2.gz FLVRKBOMMAOXGS-NEPJUHHUSA-N -1 1 381.444 1.367 20 0 GDADMM CCc1nc(NC[C@H]2CN(C(=O)c3ccc[nH]3)C[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571183603 952880654 /nfs/dbraw/zinc/88/06/54/952880654.db2.gz FLVRKBOMMAOXGS-NEPJUHHUSA-N -1 1 381.444 1.367 20 0 GDADMM CCn1ccc(C(=O)N[C@H]2C[C@@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)c1C ZINC001571185026 952900232 /nfs/dbraw/zinc/90/02/32/952900232.db2.gz GVIFIQZORUCMHJ-BETUJISGSA-N -1 1 381.444 1.468 20 0 GDADMM CCn1ccc(C(=O)N[C@H]2C[C@@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)c1C ZINC001571185026 952900233 /nfs/dbraw/zinc/90/02/33/952900233.db2.gz GVIFIQZORUCMHJ-BETUJISGSA-N -1 1 381.444 1.468 20 0 GDADMM Cc1c[nH]cc1C(=O)N[C@H]1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571186587 952907586 /nfs/dbraw/zinc/90/75/86/952907586.db2.gz XRYRMDCEFCLMIT-JOCQHMNTSA-N -1 1 381.444 1.694 20 0 GDADMM Cc1c[nH]cc1C(=O)N[C@H]1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571186587 952907592 /nfs/dbraw/zinc/90/75/92/952907592.db2.gz XRYRMDCEFCLMIT-JOCQHMNTSA-N -1 1 381.444 1.694 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)n1C ZINC001571188911 952922073 /nfs/dbraw/zinc/92/20/73/952922073.db2.gz PGHDLTSXCFPBQF-QWHCGFSZSA-N -1 1 381.444 1.314 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)n1C ZINC001571188911 952922075 /nfs/dbraw/zinc/92/20/75/952922075.db2.gz PGHDLTSXCFPBQF-QWHCGFSZSA-N -1 1 381.444 1.314 20 0 GDADMM Cn1ccc(C(=O)N2CCCCC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571188971 952923168 /nfs/dbraw/zinc/92/31/68/952923168.db2.gz KZLDHJYJQXFDJT-AWEZNQCLSA-N -1 1 381.444 1.492 20 0 GDADMM Cn1ccc(C(=O)N2CCCCC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571188971 952923171 /nfs/dbraw/zinc/92/31/71/952923171.db2.gz KZLDHJYJQXFDJT-AWEZNQCLSA-N -1 1 381.444 1.492 20 0 GDADMM Cc1cc(C)c(C(=O)N2CC[C@H](CCNc3nccnc3-c3nnn[n-]3)C2)[nH]1 ZINC001571189102 952923704 /nfs/dbraw/zinc/92/37/04/952923704.db2.gz SBEUZVBWMVFBPQ-ZDUSSCGKSA-N -1 1 381.444 1.566 20 0 GDADMM Cc1cc(C)c(C(=O)N2CC[C@H](CCNc3nccnc3-c3nn[n-]n3)C2)[nH]1 ZINC001571189102 952923707 /nfs/dbraw/zinc/92/37/07/952923707.db2.gz SBEUZVBWMVFBPQ-ZDUSSCGKSA-N -1 1 381.444 1.566 20 0 GDADMM Cc1ccc(C(=O)N2CCCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)n1C ZINC001571189356 952929622 /nfs/dbraw/zinc/92/96/22/952929622.db2.gz VMUGJTHQQGJKPZ-ZDUSSCGKSA-N -1 1 381.444 1.410 20 0 GDADMM Cc1ccc(C(=O)N2CCCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)n1C ZINC001571189356 952929629 /nfs/dbraw/zinc/92/96/29/952929629.db2.gz VMUGJTHQQGJKPZ-ZDUSSCGKSA-N -1 1 381.444 1.410 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)c3cccc(C)c3F)C2)n1 ZINC001571196764 952982785 /nfs/dbraw/zinc/98/27/85/952982785.db2.gz NQCHXAPRUVDCAZ-GFCCVEGCSA-N -1 1 382.403 1.739 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)c3cccc(C)c3F)C2)n1 ZINC001571196764 952982788 /nfs/dbraw/zinc/98/27/88/952982788.db2.gz NQCHXAPRUVDCAZ-GFCCVEGCSA-N -1 1 382.403 1.739 20 0 GDADMM Cc1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3nccnc3-c3nnn[n-]3)C2)cc1F ZINC001571196752 952982994 /nfs/dbraw/zinc/98/29/94/952982994.db2.gz NEHZMCANQHDNNR-BXUZGUMPSA-N -1 1 382.403 1.677 20 0 GDADMM Cc1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3nccnc3-c3nn[n-]n3)C2)cc1F ZINC001571196752 952983007 /nfs/dbraw/zinc/98/30/07/952983007.db2.gz NEHZMCANQHDNNR-BXUZGUMPSA-N -1 1 382.403 1.677 20 0 GDADMM CC1(NC(=O)c2cccc(F)c2)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571196911 952984450 /nfs/dbraw/zinc/98/44/50/952984450.db2.gz PSZPLGSGZPCKQK-UHFFFAOYSA-N -1 1 382.403 1.585 20 0 GDADMM CC1(NC(=O)c2cccc(F)c2)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571196911 952984457 /nfs/dbraw/zinc/98/44/57/952984457.db2.gz PSZPLGSGZPCKQK-UHFFFAOYSA-N -1 1 382.403 1.585 20 0 GDADMM Cc1cc(C(=O)NC2CC(CNc3nccnc3-c3nnn[n-]3)C2)ccc1F ZINC001571197002 952986227 /nfs/dbraw/zinc/98/62/27/952986227.db2.gz RCPSCRASINEWQC-UHFFFAOYSA-N -1 1 382.403 1.725 20 0 GDADMM Cc1cc(C(=O)NC2CC(CNc3nccnc3-c3nn[n-]n3)C2)ccc1F ZINC001571197002 952986234 /nfs/dbraw/zinc/98/62/34/952986234.db2.gz RCPSCRASINEWQC-UHFFFAOYSA-N -1 1 382.403 1.725 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c(F)c1 ZINC001571197386 952989824 /nfs/dbraw/zinc/98/98/24/952989824.db2.gz YQHUXHVAGNXZKI-LBPRGKRZSA-N -1 1 382.403 1.821 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c(F)c1 ZINC001571197386 952989828 /nfs/dbraw/zinc/98/98/28/952989828.db2.gz YQHUXHVAGNXZKI-LBPRGKRZSA-N -1 1 382.403 1.821 20 0 GDADMM CCN(CC1CCN(C(=O)c2ccoc2)CC1)c1nccnc1-c1nnn[n-]1 ZINC001571198752 952992013 /nfs/dbraw/zinc/99/20/13/952992013.db2.gz FQQICSIKAIMZTJ-UHFFFAOYSA-N -1 1 382.428 1.628 20 0 GDADMM CCN(CC1CCN(C(=O)c2ccoc2)CC1)c1nccnc1-c1nn[n-]n1 ZINC001571198752 952992016 /nfs/dbraw/zinc/99/20/16/952992016.db2.gz FQQICSIKAIMZTJ-UHFFFAOYSA-N -1 1 382.428 1.628 20 0 GDADMM Cc1ccc(C(=O)NC[C@H]2CCCCN2c2nc(C)cc(-c3nnn[n-]3)n2)o1 ZINC001571198833 952993747 /nfs/dbraw/zinc/99/37/47/952993747.db2.gz GVSYSVSPWBFGKF-CYBMUJFWSA-N -1 1 382.428 1.655 20 0 GDADMM Cc1ccc(C(=O)NC[C@H]2CCCCN2c2nc(C)cc(-c3nn[n-]n3)n2)o1 ZINC001571198833 952993750 /nfs/dbraw/zinc/99/37/50/952993750.db2.gz GVSYSVSPWBFGKF-CYBMUJFWSA-N -1 1 382.428 1.655 20 0 GDADMM CCc1occc1C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H](C)C1 ZINC001571198950 952994488 /nfs/dbraw/zinc/99/44/88/952994488.db2.gz IORLHPNQNUMUQV-NWDGAFQWSA-N -1 1 382.428 1.599 20 0 GDADMM CCc1occc1C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H](C)C1 ZINC001571198950 952994498 /nfs/dbraw/zinc/99/44/98/952994498.db2.gz IORLHPNQNUMUQV-NWDGAFQWSA-N -1 1 382.428 1.599 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)c3occc3C)[C@H]2C)n1 ZINC001571199415 952999011 /nfs/dbraw/zinc/99/90/11/952999011.db2.gz QDWRRTQQEOMUAD-NEPJUHHUSA-N -1 1 382.428 1.518 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)c3occc3C)[C@H]2C)n1 ZINC001571199415 952999021 /nfs/dbraw/zinc/99/90/21/952999021.db2.gz QDWRRTQQEOMUAD-NEPJUHHUSA-N -1 1 382.428 1.518 20 0 GDADMM CCc1nc(NCC2CC(NC(=O)c3cocc3C)C2)cc(-c2nnn[n-]2)n1 ZINC001571199653 953003335 /nfs/dbraw/zinc/00/33/35/953003335.db2.gz XWCNIHSXDCSSBT-UHFFFAOYSA-N -1 1 382.428 1.741 20 0 GDADMM CCc1nc(NCC2CC(NC(=O)c3cocc3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571199653 953003339 /nfs/dbraw/zinc/00/33/39/953003339.db2.gz XWCNIHSXDCSSBT-UHFFFAOYSA-N -1 1 382.428 1.741 20 0 GDADMM O=C(Cc1ccccc1F)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571199723 953004652 /nfs/dbraw/zinc/00/46/52/953004652.db2.gz ADGCGUROBAXKJT-UHFFFAOYSA-N -1 1 382.403 1.077 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)Cc3ccco3)[C@H](C)C2)n1 ZINC001571201734 953019489 /nfs/dbraw/zinc/01/94/89/953019489.db2.gz NSSIBEYAIFPWQJ-OLZOCXBDSA-N -1 1 382.428 1.592 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)Cc3ccco3)[C@H](C)C2)n1 ZINC001571201734 953019491 /nfs/dbraw/zinc/01/94/91/953019491.db2.gz NSSIBEYAIFPWQJ-OLZOCXBDSA-N -1 1 382.428 1.592 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)[C@H](C)C2)c(C)o1 ZINC001571201779 953019564 /nfs/dbraw/zinc/01/95/64/953019564.db2.gz OCPQVTRPNFGOFD-ZWNOBZJWSA-N -1 1 382.428 1.654 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)[C@H](C)C2)c(C)o1 ZINC001571201779 953019568 /nfs/dbraw/zinc/01/95/68/953019568.db2.gz OCPQVTRPNFGOFD-ZWNOBZJWSA-N -1 1 382.428 1.654 20 0 GDADMM Cc1occc1C(=O)N1CC[C@H]([C@@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571201773 953019732 /nfs/dbraw/zinc/01/97/32/953019732.db2.gz NYFQJSMDZLMBSE-YPMHNXCESA-N -1 1 382.428 1.829 20 0 GDADMM Cc1occc1C(=O)N1CC[C@H]([C@@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571201773 953019737 /nfs/dbraw/zinc/01/97/37/953019737.db2.gz NYFQJSMDZLMBSE-YPMHNXCESA-N -1 1 382.428 1.829 20 0 GDADMM Cc1ccc([C@H](C)C(=O)N2CCC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)o1 ZINC001571202086 953023149 /nfs/dbraw/zinc/02/31/49/953023149.db2.gz QUHIWNOWSXDCHD-STQMWFEESA-N -1 1 382.428 1.765 20 0 GDADMM Cc1ccc([C@H](C)C(=O)N2CCC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)o1 ZINC001571202086 953023152 /nfs/dbraw/zinc/02/31/52/953023152.db2.gz QUHIWNOWSXDCHD-STQMWFEESA-N -1 1 382.428 1.765 20 0 GDADMM O=C(N[C@H]1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1F ZINC001571202437 953025375 /nfs/dbraw/zinc/02/53/75/953025375.db2.gz WXRFURBQUZCJJW-NEPJUHHUSA-N -1 1 382.403 1.371 20 0 GDADMM Cc1cocc1C(=O)N1CC[C@H](C)[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571202654 953027513 /nfs/dbraw/zinc/02/75/13/953027513.db2.gz WZKNUQPFWVXXNO-AAEUAGOBSA-N -1 1 382.428 1.768 20 0 GDADMM Cc1cocc1C(=O)N1CC[C@H](C)[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571202654 953027514 /nfs/dbraw/zinc/02/75/14/953027514.db2.gz WZKNUQPFWVXXNO-AAEUAGOBSA-N -1 1 382.428 1.768 20 0 GDADMM Cc1cocc1C(=O)N1CCC[C@H](C)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571202730 953027919 /nfs/dbraw/zinc/02/79/19/953027919.db2.gz XMHPFSUGHGHSSR-XHDPSFHLSA-N -1 1 382.428 1.911 20 0 GDADMM Cc1cocc1C(=O)N1CCC[C@H](C)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571202730 953027924 /nfs/dbraw/zinc/02/79/24/953027924.db2.gz XMHPFSUGHGHSSR-XHDPSFHLSA-N -1 1 382.428 1.911 20 0 GDADMM Cc1occc1C(=O)N[C@H](C)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571205778 953042642 /nfs/dbraw/zinc/04/26/42/953042642.db2.gz LVNMAOOFTVPSLO-YPMHNXCESA-N -1 1 382.428 1.593 20 0 GDADMM Cc1occc1C(=O)N[C@H](C)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571205778 953042644 /nfs/dbraw/zinc/04/26/44/953042644.db2.gz LVNMAOOFTVPSLO-YPMHNXCESA-N -1 1 382.428 1.593 20 0 GDADMM CC(C)n1cnc(C(=O)N2CCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)c1 ZINC001571205903 953043193 /nfs/dbraw/zinc/04/31/93/953043193.db2.gz NWSUVKXYCTXVSU-GFCCVEGCSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1cnc(C(=O)N2CCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)c1 ZINC001571205903 953043198 /nfs/dbraw/zinc/04/31/98/953043198.db2.gz NWSUVKXYCTXVSU-GFCCVEGCSA-N -1 1 382.432 1.151 20 0 GDADMM Cc1occc1C(=O)N[C@H](C)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571207345 953061973 /nfs/dbraw/zinc/06/19/73/953061973.db2.gz YDTUPOATKBLBIT-LLVKDONJSA-N -1 1 382.428 1.593 20 0 GDADMM Cc1nc[nH]c1C(=O)N[C@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001571207455 953063254 /nfs/dbraw/zinc/06/32/54/953063254.db2.gz RXUHGZOYWCTFGC-HAQNSBGRSA-N -1 1 382.432 1.089 20 0 GDADMM Cc1nc[nH]c1C(=O)N[C@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001571207455 953063256 /nfs/dbraw/zinc/06/32/56/953063256.db2.gz RXUHGZOYWCTFGC-HAQNSBGRSA-N -1 1 382.432 1.089 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H]3[C@@H]2CCCN3C(=O)[C@@H]2CC2(C)C)n1 ZINC001571211745 953080192 /nfs/dbraw/zinc/08/01/92/953080192.db2.gz DXJJGVPCIDCCCP-AEGPPILISA-N -1 1 382.472 1.581 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H]3[C@@H]2CCCN3C(=O)[C@@H]2CC2(C)C)n1 ZINC001571211745 953080195 /nfs/dbraw/zinc/08/01/95/953080195.db2.gz DXJJGVPCIDCCCP-AEGPPILISA-N -1 1 382.472 1.581 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)[C@@]23C[C@@H]2CCCC3)CCN1c1nccnc1-c1nnn[n-]1 ZINC001571212035 953082377 /nfs/dbraw/zinc/08/23/77/953082377.db2.gz HPEJYJZEFGEISP-PJHJGJPPSA-N -1 1 382.472 1.711 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)[C@@]23C[C@@H]2CCCC3)CCN1c1nccnc1-c1nn[n-]n1 ZINC001571212035 953082379 /nfs/dbraw/zinc/08/23/79/953082379.db2.gz HPEJYJZEFGEISP-PJHJGJPPSA-N -1 1 382.472 1.711 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[C@@H]4C[C@@H]4CC3)C2)n1 ZINC001571212096 953083397 /nfs/dbraw/zinc/08/33/97/953083397.db2.gz IVWFLXKLGOJKHY-ABWMFPBJSA-N -1 1 382.472 1.851 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[C@@H]4C[C@@H]4CC3)C2)n1 ZINC001571212096 953083401 /nfs/dbraw/zinc/08/34/01/953083401.db2.gz IVWFLXKLGOJKHY-ABWMFPBJSA-N -1 1 382.472 1.851 20 0 GDADMM Cc1ncc(C(=O)N[C@H]2CCCC[C@H]2CNc2cnc(-c3nn[n-]n3)cn2)[nH]1 ZINC001571212168 953085031 /nfs/dbraw/zinc/08/50/31/953085031.db2.gz KIJYQIAIXRGECQ-RYUDHWBXSA-N -1 1 382.432 1.089 20 0 GDADMM CN(C(=O)C1(C2CCC2)CCC1)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571212209 953086318 /nfs/dbraw/zinc/08/63/18/953086318.db2.gz IZFNARYMHADJOW-CQSZACIVSA-N -1 1 382.472 1.664 20 0 GDADMM Cc1nc(C)c(C(=O)N2CCCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)[nH]1 ZINC001571212324 953086591 /nfs/dbraw/zinc/08/65/91/953086591.db2.gz LNROTRFXUJYWBB-LBPRGKRZSA-N -1 1 382.432 1.103 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C3CC3)CC2)CC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571212499 953089215 /nfs/dbraw/zinc/08/92/15/953089215.db2.gz MORXWNPABFAEQJ-CHWSQXEVSA-N -1 1 382.472 1.165 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)C3(C4CC4)CC3)C[C@@H]2C)n1 ZINC001571212911 953091198 /nfs/dbraw/zinc/09/11/98/953091198.db2.gz OBAYRMQBFCXNCB-JSGCOSHPSA-N -1 1 382.472 1.629 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)C3(C4CC4)CC3)C[C@@H]2C)n1 ZINC001571212911 953091201 /nfs/dbraw/zinc/09/12/01/953091201.db2.gz OBAYRMQBFCXNCB-JSGCOSHPSA-N -1 1 382.472 1.629 20 0 GDADMM CC1(C(=O)N[C@@H]2CC[C@@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]3C2)CCC1 ZINC001571213627 953096111 /nfs/dbraw/zinc/09/61/11/953096111.db2.gz SKUDRKQZVZBHBY-MGPQQGTHSA-N -1 1 382.472 1.568 20 0 GDADMM CC1(C(=O)N[C@@H]2CC[C@@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]3C2)CCC1 ZINC001571213627 953096117 /nfs/dbraw/zinc/09/61/17/953096117.db2.gz SKUDRKQZVZBHBY-MGPQQGTHSA-N -1 1 382.472 1.568 20 0 GDADMM CC[C@H]1CN(C(=O)C2(C3CC3)CC2)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571213677 953096628 /nfs/dbraw/zinc/09/66/28/953096628.db2.gz TXDIXKFVRDACKZ-JSGCOSHPSA-N -1 1 382.472 1.308 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)n1 ZINC001571214012 953098435 /nfs/dbraw/zinc/09/84/35/953098435.db2.gz VAMLQRBUUCZMLI-AEGPPILISA-N -1 1 382.472 1.296 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)n1 ZINC001571214012 953098440 /nfs/dbraw/zinc/09/84/40/953098440.db2.gz VAMLQRBUUCZMLI-AEGPPILISA-N -1 1 382.472 1.296 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCN(C(=O)[C@@H]3CC34CCCC4)C2)n1 ZINC001571214083 953099590 /nfs/dbraw/zinc/09/95/90/953099590.db2.gz WLVJYILVSJIQJO-KBPBESRZSA-N -1 1 382.472 1.806 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCN(C(=O)[C@@H]3CC34CCCC4)C2)n1 ZINC001571214083 953099592 /nfs/dbraw/zinc/09/95/92/953099592.db2.gz WLVJYILVSJIQJO-KBPBESRZSA-N -1 1 382.472 1.806 20 0 GDADMM O=C(CCC1CC1)N1C[C@@H]2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H]2C1 ZINC001571217294 953106856 /nfs/dbraw/zinc/10/68/56/953106856.db2.gz DVVOADHHCWTIRO-RRFJBIMHSA-N -1 1 382.472 1.886 20 0 GDADMM O=C(CCC1CC1)N1C[C@@H]2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H]2C1 ZINC001571217294 953106861 /nfs/dbraw/zinc/10/68/61/953106861.db2.gz DVVOADHHCWTIRO-RRFJBIMHSA-N -1 1 382.472 1.886 20 0 GDADMM O=C(N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C1(C2CCC2)CCC1 ZINC001571217697 953110050 /nfs/dbraw/zinc/11/00/50/953110050.db2.gz IOWVAEVDPOEADT-ZDUSSCGKSA-N -1 1 382.472 1.309 20 0 GDADMM O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CCCC[C@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001571218026 953113209 /nfs/dbraw/zinc/11/32/09/953113209.db2.gz KLWAJHAZOXAPGM-SZOQZIPDSA-N -1 1 382.472 1.886 20 0 GDADMM O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CCCC[C@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001571218026 953113211 /nfs/dbraw/zinc/11/32/11/953113211.db2.gz KLWAJHAZOXAPGM-SZOQZIPDSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@@H]1CN(C(=O)c2cncc(F)c2)CC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571218269 953113878 /nfs/dbraw/zinc/11/38/78/953113878.db2.gz UVROEGWCQHVDLX-ZWNOBZJWSA-N -1 1 383.391 1.154 20 0 GDADMM C[C@@H]1CN(C(=O)c2cncc(F)c2)CC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571218269 953113882 /nfs/dbraw/zinc/11/38/82/953113882.db2.gz UVROEGWCQHVDLX-ZWNOBZJWSA-N -1 1 383.391 1.154 20 0 GDADMM O=C(c1cc(F)c[nH]1)N1CCC[C@@H]2[C@@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001571218928 953120656 /nfs/dbraw/zinc/12/06/56/953120656.db2.gz HJSGQIXMGNDZEK-OLZOCXBDSA-N -1 1 383.391 1.007 20 0 GDADMM O=C(C1CCC2(CC2)CC1)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571219387 953125694 /nfs/dbraw/zinc/12/56/94/953125694.db2.gz YSFXRXXWVOABJT-ZDUSSCGKSA-N -1 1 382.472 1.888 20 0 GDADMM O=C(C1CCC2(CC2)CC1)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571219387 953125695 /nfs/dbraw/zinc/12/56/95/953125695.db2.gz YSFXRXXWVOABJT-ZDUSSCGKSA-N -1 1 382.472 1.888 20 0 GDADMM CCc1nc(C(=O)N2CCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)c(C)o1 ZINC001571222183 953131488 /nfs/dbraw/zinc/13/14/88/953131488.db2.gz DQFHWORLUWZAQD-LLVKDONJSA-N -1 1 383.416 1.232 20 0 GDADMM CCc1nc(C(=O)N2CCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)c(C)o1 ZINC001571222183 953131492 /nfs/dbraw/zinc/13/14/92/953131492.db2.gz DQFHWORLUWZAQD-LLVKDONJSA-N -1 1 383.416 1.232 20 0 GDADMM CC[C@H]1CN(C(=O)c2cc(C)on2)CC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571222190 953132038 /nfs/dbraw/zinc/13/20/38/953132038.db2.gz DTXFXUCQEXDFMZ-NWDGAFQWSA-N -1 1 383.416 1.306 20 0 GDADMM CC[C@H]1CN(C(=O)c2cc(C)on2)CC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571222190 953132040 /nfs/dbraw/zinc/13/20/40/953132040.db2.gz DTXFXUCQEXDFMZ-NWDGAFQWSA-N -1 1 383.416 1.306 20 0 GDADMM CCc1nc(C(=O)N[C@@H]2CCC[C@H]2CNc2nccnc2-c2nnn[n-]2)co1 ZINC001571222341 953133120 /nfs/dbraw/zinc/13/31/20/953133120.db2.gz GMWKYLZHFJHRGW-WDEREUQCSA-N -1 1 383.416 1.218 20 0 GDADMM CCc1nc(C(=O)N[C@@H]2CCC[C@H]2CNc2nccnc2-c2nn[n-]n2)co1 ZINC001571222341 953133124 /nfs/dbraw/zinc/13/31/24/953133124.db2.gz GMWKYLZHFJHRGW-WDEREUQCSA-N -1 1 383.416 1.218 20 0 GDADMM CCc1nc(N[C@H](C)[C@H]2CCN(C(=O)c3ccon3)C2)cc(-c2nnn[n-]2)n1 ZINC001571222632 953136526 /nfs/dbraw/zinc/13/65/26/953136526.db2.gz IDRTUWVTOYPAOY-MNOVXSKESA-N -1 1 383.416 1.170 20 0 GDADMM CCc1nc(N[C@H](C)[C@H]2CCN(C(=O)c3ccon3)C2)cc(-c2nn[n-]n2)n1 ZINC001571222632 953136531 /nfs/dbraw/zinc/13/65/31/953136531.db2.gz IDRTUWVTOYPAOY-MNOVXSKESA-N -1 1 383.416 1.170 20 0 GDADMM CCc1nc(N[C@@H](C)[C@H]2CCN(C(=O)c3ccon3)C2)cc(-c2nnn[n-]2)n1 ZINC001571222633 953136670 /nfs/dbraw/zinc/13/66/70/953136670.db2.gz IDRTUWVTOYPAOY-QWRGUYRKSA-N -1 1 383.416 1.170 20 0 GDADMM CCc1nc(N[C@@H](C)[C@H]2CCN(C(=O)c3ccon3)C2)cc(-c2nn[n-]n2)n1 ZINC001571222633 953136672 /nfs/dbraw/zinc/13/66/72/953136672.db2.gz IDRTUWVTOYPAOY-QWRGUYRKSA-N -1 1 383.416 1.170 20 0 GDADMM CCN(C(=O)c1oc(C)nc1C)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571222595 953136867 /nfs/dbraw/zinc/13/68/67/953136867.db2.gz JTLQZGUYUQDCKG-LBPRGKRZSA-N -1 1 383.416 1.003 20 0 GDADMM CCN(C(=O)c1oc(C)nc1C)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571222595 953136868 /nfs/dbraw/zinc/13/68/68/953136868.db2.gz JTLQZGUYUQDCKG-LBPRGKRZSA-N -1 1 383.416 1.003 20 0 GDADMM CCc1ocnc1C(=O)N1CCC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571222946 953140478 /nfs/dbraw/zinc/14/04/78/953140478.db2.gz ODHSKBJTNBETQS-LLVKDONJSA-N -1 1 383.416 1.171 20 0 GDADMM CCc1ocnc1C(=O)N1CCC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571222946 953140479 /nfs/dbraw/zinc/14/04/79/953140479.db2.gz ODHSKBJTNBETQS-LLVKDONJSA-N -1 1 383.416 1.171 20 0 GDADMM CCc1nc(C(=O)N2C[C@H](Nc3nccnc3-c3nnn[n-]3)C(C)(C)C2)co1 ZINC001571223954 953147511 /nfs/dbraw/zinc/14/75/11/953147511.db2.gz WEBGXPZRWCTEAN-NSHDSACASA-N -1 1 383.416 1.170 20 0 GDADMM CCc1nc(C(=O)N2C[C@H](Nc3nccnc3-c3nn[n-]n3)C(C)(C)C2)co1 ZINC001571223954 953147513 /nfs/dbraw/zinc/14/75/13/953147513.db2.gz WEBGXPZRWCTEAN-NSHDSACASA-N -1 1 383.416 1.170 20 0 GDADMM Cc1conc1C(=O)N1CCC(C)(Nc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001571224728 953150346 /nfs/dbraw/zinc/15/03/46/953150346.db2.gz FBPHDFHAGNPMLW-UHFFFAOYSA-N -1 1 383.416 1.368 20 0 GDADMM Cc1conc1C(=O)N1CCC(C)(Nc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001571224728 953150347 /nfs/dbraw/zinc/15/03/47/953150347.db2.gz FBPHDFHAGNPMLW-UHFFFAOYSA-N -1 1 383.416 1.368 20 0 GDADMM Cc1nc(C)c(C(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C(C)(C)C2)o1 ZINC001571224910 953151432 /nfs/dbraw/zinc/15/14/32/953151432.db2.gz GJPAONDDCJPGGU-LBPRGKRZSA-N -1 1 383.416 1.224 20 0 GDADMM Cc1nc(C)c(C(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C(C)(C)C2)o1 ZINC001571224910 953151433 /nfs/dbraw/zinc/15/14/33/953151433.db2.gz GJPAONDDCJPGGU-LBPRGKRZSA-N -1 1 383.416 1.224 20 0 GDADMM Cc1ncoc1C(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571227115 953158528 /nfs/dbraw/zinc/15/85/28/953158528.db2.gz ZEGDUVRHBTZGAN-HAQNSBGRSA-N -1 1 383.416 1.354 20 0 GDADMM Cc1ncoc1C(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571227115 953158529 /nfs/dbraw/zinc/15/85/29/953158529.db2.gz ZEGDUVRHBTZGAN-HAQNSBGRSA-N -1 1 383.416 1.354 20 0 GDADMM Cc1nsc(N2CCC(CNC(=O)[C@H]3CC3(F)F)CC2)c1-c1nn[n-]n1 ZINC001571230594 953178052 /nfs/dbraw/zinc/17/80/52/953178052.db2.gz YGYQLTDXAQEKSA-SNVBAGLBSA-N -1 1 383.428 1.619 20 0 GDADMM Cc1cccc(NC(=O)CSCC(=O)Nc2cccc(-c3nnn[n-]3)n2)c1 ZINC001571230626 953179081 /nfs/dbraw/zinc/17/90/81/953179081.db2.gz HKGDXTDQXKWYDD-UHFFFAOYSA-N -1 1 383.437 1.881 20 0 GDADMM Cc1cccc(NC(=O)CSCC(=O)Nc2cccc(-c3nn[n-]n3)n2)c1 ZINC001571230626 953179085 /nfs/dbraw/zinc/17/90/85/953179085.db2.gz HKGDXTDQXKWYDD-UHFFFAOYSA-N -1 1 383.437 1.881 20 0 GDADMM O=C(NCc1ccc(N2CCCNC2=O)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC001571230871 953181258 /nfs/dbraw/zinc/18/12/58/953181258.db2.gz MGUXSPWCFUSFQY-UHFFFAOYSA-N -1 1 383.437 1.778 20 0 GDADMM O=C(NCc1ccc(N2CCCNC2=O)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC001571230871 953181260 /nfs/dbraw/zinc/18/12/60/953181260.db2.gz MGUXSPWCFUSFQY-UHFFFAOYSA-N -1 1 383.437 1.778 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001571234513 953203279 /nfs/dbraw/zinc/20/32/79/953203279.db2.gz AKFOCDVOJQUATN-VIFPVBQESA-N -1 1 384.366 1.506 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001571234513 953203281 /nfs/dbraw/zinc/20/32/81/953203281.db2.gz AKFOCDVOJQUATN-VIFPVBQESA-N -1 1 384.366 1.506 20 0 GDADMM C[C@H]1CCCN(C(=O)CC(F)(F)F)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571234580 953203690 /nfs/dbraw/zinc/20/36/90/953203690.db2.gz CHOQOPJMHCTASC-ONGXEEELSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H]1CCCN(C(=O)CC(F)(F)F)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571234580 953203692 /nfs/dbraw/zinc/20/36/92/953203692.db2.gz CHOQOPJMHCTASC-ONGXEEELSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@]1(C(=O)N2CC[C@@H](Nc3snc(Cl)c3-c3nnn[n-]3)C2)CCOC1 ZINC001571234712 953204538 /nfs/dbraw/zinc/20/45/38/953204538.db2.gz GLVFZKGDVWTTAS-CLAHSXSESA-N -1 1 383.865 1.416 20 0 GDADMM C[C@]1(C(=O)N2CC[C@@H](Nc3snc(Cl)c3-c3nn[n-]n3)C2)CCOC1 ZINC001571234712 953204540 /nfs/dbraw/zinc/20/45/40/953204540.db2.gz GLVFZKGDVWTTAS-CLAHSXSESA-N -1 1 383.865 1.416 20 0 GDADMM CCCC(=O)N1C[C@H](C(F)(F)F)[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571234897 953207238 /nfs/dbraw/zinc/20/72/38/953207238.db2.gz MBSTZOOMQYYVHR-UWVGGRQHSA-N -1 1 384.366 1.506 20 0 GDADMM CCCC(=O)N1C[C@H](C(F)(F)F)[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571234897 953207244 /nfs/dbraw/zinc/20/72/44/953207244.db2.gz MBSTZOOMQYYVHR-UWVGGRQHSA-N -1 1 384.366 1.506 20 0 GDADMM CC[C@@H]1CN(C(=O)CC(F)(F)F)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571235002 953207694 /nfs/dbraw/zinc/20/76/94/953207694.db2.gz PKLJSWDCYPEFOZ-NXEZZACHSA-N -1 1 384.366 1.070 20 0 GDADMM C[C@H]1CCCN(C(=O)C2=COCCC2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571242750 953259507 /nfs/dbraw/zinc/25/95/07/953259507.db2.gz NGHDDXUMGUZQFO-JSGCOSHPSA-N -1 1 384.444 1.390 20 0 GDADMM C[C@H]1CCCN(C(=O)C2=COCCC2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571242750 953259510 /nfs/dbraw/zinc/25/95/10/953259510.db2.gz NGHDDXUMGUZQFO-JSGCOSHPSA-N -1 1 384.444 1.390 20 0 GDADMM Cc1nsc(NC[C@H]2CCN(C(=O)c3cnccc3C)C2)c1-c1nn[n-]n1 ZINC001571244598 953265102 /nfs/dbraw/zinc/26/51/02/953265102.db2.gz BWUIQSDVBXSSPL-GFCCVEGCSA-N -1 1 384.469 1.909 20 0 GDADMM CCc1ccsc1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571244687 953265597 /nfs/dbraw/zinc/26/55/97/953265597.db2.gz DWOSJESKEUBDNV-GFCCVEGCSA-N -1 1 384.469 1.679 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@@H]2CCCN(C(=O)c3ccsc3)C2)n1 ZINC001571244663 953265642 /nfs/dbraw/zinc/26/56/42/953265642.db2.gz DFMCKPBNVUABQD-CYBMUJFWSA-N -1 1 384.469 1.768 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@@H]2CCCN(C(=O)c3ccsc3)C2)n1 ZINC001571244663 953265645 /nfs/dbraw/zinc/26/56/45/953265645.db2.gz DFMCKPBNVUABQD-CYBMUJFWSA-N -1 1 384.469 1.768 20 0 GDADMM CCc1ccnc(C(=O)N[C@@H]2CCN(c3snc(C)c3-c3nn[n-]n3)C2)c1 ZINC001571244860 953267209 /nfs/dbraw/zinc/26/72/09/953267209.db2.gz KPXFFOVNVVAPDD-GFCCVEGCSA-N -1 1 384.469 1.598 20 0 GDADMM Cc1scc(C(=O)N[C@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)c1C ZINC001571244873 953268084 /nfs/dbraw/zinc/26/80/84/953268084.db2.gz KUWKYPBJWRRSHG-LBPRGKRZSA-N -1 1 384.469 1.652 20 0 GDADMM Cc1scc(C(=O)N[C@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)c1C ZINC001571244873 953268090 /nfs/dbraw/zinc/26/80/90/953268090.db2.gz KUWKYPBJWRRSHG-LBPRGKRZSA-N -1 1 384.469 1.652 20 0 GDADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)CCc2ccsc2)C1 ZINC001571245230 953271507 /nfs/dbraw/zinc/27/15/07/953271507.db2.gz PUVWKXQOSRZVAZ-ZDUSSCGKSA-N -1 1 384.469 1.388 20 0 GDADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)CCc2ccsc2)C1 ZINC001571245230 953271510 /nfs/dbraw/zinc/27/15/10/953271510.db2.gz PUVWKXQOSRZVAZ-ZDUSSCGKSA-N -1 1 384.469 1.388 20 0 GDADMM C[C@H]1CN(C(=O)CCc2ccsc2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571245497 953273554 /nfs/dbraw/zinc/27/35/54/953273554.db2.gz SPLNIXMPBAXOMY-SMDDNHRTSA-N -1 1 384.469 1.610 20 0 GDADMM C[C@H]1CN(C(=O)CCc2ccsc2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571245497 953273557 /nfs/dbraw/zinc/27/35/57/953273557.db2.gz SPLNIXMPBAXOMY-SMDDNHRTSA-N -1 1 384.469 1.610 20 0 GDADMM CCc1sc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)cc1C ZINC001571245584 953275551 /nfs/dbraw/zinc/27/55/51/953275551.db2.gz VZSGUUUOGYFXGP-NSHDSACASA-N -1 1 384.469 1.598 20 0 GDADMM CCc1sc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)cc1C ZINC001571245584 953275554 /nfs/dbraw/zinc/27/55/54/953275554.db2.gz VZSGUUUOGYFXGP-NSHDSACASA-N -1 1 384.469 1.598 20 0 GDADMM CCc1ccsc1C(=O)NC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571245699 953275747 /nfs/dbraw/zinc/27/57/47/953275747.db2.gz YIKMIKRHQALCOH-NSHDSACASA-N -1 1 384.469 1.537 20 0 GDADMM CCc1ccsc1C(=O)NC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571245699 953275748 /nfs/dbraw/zinc/27/57/48/953275748.db2.gz YIKMIKRHQALCOH-NSHDSACASA-N -1 1 384.469 1.537 20 0 GDADMM Cc1csc(C(=O)NC[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1 ZINC001571245838 953277591 /nfs/dbraw/zinc/27/75/91/953277591.db2.gz ZZMWEHSJGWPDEF-VXGBXAGGSA-N -1 1 384.469 1.529 20 0 GDADMM Cc1csc(C(=O)NC[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1 ZINC001571245838 953277593 /nfs/dbraw/zinc/27/75/93/953277593.db2.gz ZZMWEHSJGWPDEF-VXGBXAGGSA-N -1 1 384.469 1.529 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccsc1 ZINC001571246021 953279183 /nfs/dbraw/zinc/27/91/83/953279183.db2.gz QXOWJGKVTISMKA-YPMHNXCESA-N -1 1 384.469 1.925 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccsc1 ZINC001571246021 953279188 /nfs/dbraw/zinc/27/91/88/953279188.db2.gz QXOWJGKVTISMKA-YPMHNXCESA-N -1 1 384.469 1.925 20 0 GDADMM Cc1nsc(N2CCC(CNC(=O)c3ccccn3)CC2)c1-c1nn[n-]n1 ZINC001571247768 953286249 /nfs/dbraw/zinc/28/62/49/953286249.db2.gz DNIUIHRMWFKRHY-UHFFFAOYSA-N -1 1 384.469 1.673 20 0 GDADMM Cc1sccc1C(=O)N1C[C@@H](CNc2nccnc2-c2nnn[n-]2)[C@H](C)C1 ZINC001571247797 953286273 /nfs/dbraw/zinc/28/62/73/953286273.db2.gz FINXZGUGEFRXIC-ZYHUDNBSSA-N -1 1 384.469 1.847 20 0 GDADMM Cc1sccc1C(=O)N1C[C@@H](CNc2nccnc2-c2nn[n-]n2)[C@H](C)C1 ZINC001571247797 953286276 /nfs/dbraw/zinc/28/62/76/953286276.db2.gz FINXZGUGEFRXIC-ZYHUDNBSSA-N -1 1 384.469 1.847 20 0 GDADMM Cc1scc(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1C ZINC001571248136 953289933 /nfs/dbraw/zinc/28/99/33/953289933.db2.gz MFRLXKLJPQIABK-LBPRGKRZSA-N -1 1 384.469 1.734 20 0 GDADMM O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccns1 ZINC001571248205 953290877 /nfs/dbraw/zinc/29/08/77/953290877.db2.gz NKFMVPBOHOAZLC-CABCVRRESA-N -1 1 384.469 1.530 20 0 GDADMM O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccns1 ZINC001571248205 953290881 /nfs/dbraw/zinc/29/08/81/953290881.db2.gz NKFMVPBOHOAZLC-CABCVRRESA-N -1 1 384.469 1.530 20 0 GDADMM Cc1nsc(NC2CC(N(C)C(=O)Cc3cccnc3)C2)c1-c1nn[n-]n1 ZINC001571248687 953296302 /nfs/dbraw/zinc/29/63/02/953296302.db2.gz XPNMCXMVNCOVGR-UHFFFAOYSA-N -1 1 384.469 1.671 20 0 GDADMM O=C(CCc1ccsc1)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571248753 953296864 /nfs/dbraw/zinc/29/68/64/953296864.db2.gz ZEPSZAQOAAKVIQ-CYBMUJFWSA-N -1 1 384.469 1.611 20 0 GDADMM O=C(CCc1ccsc1)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571248753 953296868 /nfs/dbraw/zinc/29/68/68/953296868.db2.gz ZEPSZAQOAAKVIQ-CYBMUJFWSA-N -1 1 384.469 1.611 20 0 GDADMM CC(C)C(=O)N1CCC[C@H](C2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001571249164 953301352 /nfs/dbraw/zinc/30/13/52/953301352.db2.gz FCBUHBXDJJXWBY-HNNXBMFYSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)C(=O)N1CCC[C@H](C2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC001571249164 953301355 /nfs/dbraw/zinc/30/13/55/953301355.db2.gz FCBUHBXDJJXWBY-HNNXBMFYSA-N -1 1 384.488 1.768 20 0 GDADMM CC1(C)C(C(=O)N[C@@H]2CC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)C1(C)C ZINC001571249157 953301643 /nfs/dbraw/zinc/30/16/43/953301643.db2.gz FACMJMRSMLOEMG-NWDGAFQWSA-N -1 1 384.488 1.458 20 0 GDADMM C[C@H](NC(=O)C1CCCCC1)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571249463 953305408 /nfs/dbraw/zinc/30/54/08/953305408.db2.gz JIIVSXWVBXYYKO-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM CCC(CC)C(=O)N1CCC2(C1)CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001571250244 953309625 /nfs/dbraw/zinc/30/96/25/953309625.db2.gz OWLXFQCBJBAMAM-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CCC(CC)C(=O)N1CCC2(C1)CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001571250244 953309630 /nfs/dbraw/zinc/30/96/30/953309630.db2.gz OWLXFQCBJBAMAM-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)[C@@]1(C)C[C@H]1C(=O)N1CCC(N(C)c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571250559 953311273 /nfs/dbraw/zinc/31/12/73/953311273.db2.gz QPNPAKZESFLXRR-IFXJQAMLSA-N -1 1 384.488 1.766 20 0 GDADMM CC(C)[C@@]1(C)C[C@H]1C(=O)N1CCC(N(C)c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571250559 953311279 /nfs/dbraw/zinc/31/12/79/953311279.db2.gz QPNPAKZESFLXRR-IFXJQAMLSA-N -1 1 384.488 1.766 20 0 GDADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571250824 953313182 /nfs/dbraw/zinc/31/31/82/953313182.db2.gz TTXQWMUSTDLLRJ-AUUYWEPGSA-N -1 1 384.488 1.411 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CN(C)c2nccnc2-c2nnn[n-]2)C1)C1CCCC1 ZINC001571251518 953318388 /nfs/dbraw/zinc/31/83/88/953318388.db2.gz ZJRDRZDAFQKYMK-KBPBESRZSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CN(C)c2nccnc2-c2nn[n-]n2)C1)C1CCCC1 ZINC001571251518 953318392 /nfs/dbraw/zinc/31/83/92/953318392.db2.gz ZJRDRZDAFQKYMK-KBPBESRZSA-N -1 1 384.488 1.768 20 0 GDADMM CN(C[C@H]1CCCCN1C(=O)[C@H]1CCC1(C)C)c1cncc(-c2nnn[n-]2)n1 ZINC001571252289 953326579 /nfs/dbraw/zinc/32/65/79/953326579.db2.gz JUGZBMMWPWFTIC-ZIAGYGMSSA-N -1 1 384.488 1.910 20 0 GDADMM CN(C[C@H]1CCCCN1C(=O)[C@H]1CCC1(C)C)c1cncc(-c2nn[n-]n2)n1 ZINC001571252289 953326582 /nfs/dbraw/zinc/32/65/82/953326582.db2.gz JUGZBMMWPWFTIC-ZIAGYGMSSA-N -1 1 384.488 1.910 20 0 GDADMM CCN(CC1CCN(C(=O)CC2(C)CC2)CC1)c1nccnc1-c1nnn[n-]1 ZINC001571252457 953328943 /nfs/dbraw/zinc/32/89/43/953328943.db2.gz NCORMLMASPJYTI-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CCN(CC1CCN(C(=O)CC2(C)CC2)CC1)c1nccnc1-c1nn[n-]n1 ZINC001571252457 953328947 /nfs/dbraw/zinc/32/89/47/953328947.db2.gz NCORMLMASPJYTI-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N(C)[C@H]2CCCN(C(=O)CC3CCC3)C2)n1 ZINC001571252518 953330246 /nfs/dbraw/zinc/33/02/46/953330246.db2.gz OGBUICKGEMTTSJ-AWEZNQCLSA-N -1 1 384.488 1.837 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N(C)[C@H]2CCCN(C(=O)CC3CCC3)C2)n1 ZINC001571252518 953330251 /nfs/dbraw/zinc/33/02/51/953330251.db2.gz OGBUICKGEMTTSJ-AWEZNQCLSA-N -1 1 384.488 1.837 20 0 GDADMM CCc1nc(NC[C@@H]2CN(C(=O)CCC3CC3)C[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571252836 953333121 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384.831 1.627 20 0 GDADMM O=C([O-])C1CC2(C1)CC[C@@H](CNC(=O)c1ccc3c(=O)[nH]c(=S)[nH]c3c1)O2 ZINC001594749322 953408191 /nfs/dbraw/zinc/40/81/91/953408191.db2.gz HLMZMOFRRJFOJT-PNSNSFJUSA-N -1 1 389.433 1.766 20 0 GDADMM CCn1cc(-c2[nH]ncc2C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)cn1 ZINC001593664658 953820776 /nfs/dbraw/zinc/82/07/76/953820776.db2.gz IKTDJVWQKKISEO-OLZOCXBDSA-N -1 1 397.439 1.357 20 0 GDADMM Cn1nc(C(=O)[O-])cc1C(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000630113233 953837605 /nfs/dbraw/zinc/83/76/05/953837605.db2.gz BNOFTYVICILWDK-UHFFFAOYSA-N -1 1 380.408 1.923 20 0 GDADMM CN(C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)C1CCN(CCC(F)(F)F)CC1 ZINC001593675538 953920849 /nfs/dbraw/zinc/92/08/49/953920849.db2.gz UOOIESKGJZDFBO-ZDUSSCGKSA-N -1 1 393.406 1.185 20 0 GDADMM O=C([O-])[C@H]1CC(=O)N(C2CCN(Cc3cnn(Cc4ccccc4)c3)CC2)C1 ZINC000650791991 954029180 /nfs/dbraw/zinc/02/91/80/954029180.db2.gz VVFQEPWWKQBUKN-SFHVURJKSA-N -1 1 382.464 1.829 20 0 GDADMM CN(CCN1CCN(Cc2ccccc2)CC1)C(=O)c1cnc(C(=O)[O-])cn1 ZINC001593751459 954419250 /nfs/dbraw/zinc/41/92/50/954419250.db2.gz HDLKJIKQDYAORB-UHFFFAOYSA-N -1 1 383.452 1.065 20 0 GDADMM O=C([O-])C1CCN(c2ccc(CNCc3n[nH]c([C@H]4CCCO4)n3)o2)CC1 ZINC001594939304 954867235 /nfs/dbraw/zinc/86/72/35/954867235.db2.gz HIWRCIIZPYIIFG-CQSZACIVSA-N -1 1 375.429 1.840 20 0 GDADMM O=C([O-])[C@H]1CN(C(=O)c2n[nH]cc2I)Cc2ccccc21 ZINC001594951121 954948045 /nfs/dbraw/zinc/94/80/45/954948045.db2.gz NFJYFQXFZLHAOO-JTQLQIEISA-N -1 1 397.172 1.839 20 0 GDADMM Cn1cc(CN2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)c(C2CCOCC2)n1 ZINC001594542635 955665628 /nfs/dbraw/zinc/66/56/28/955665628.db2.gz FARSNBWKRNFESK-HNNXBMFYSA-N -1 1 390.484 1.212 20 0 GDADMM O=C([O-])COCC(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC000844252361 955670252 /nfs/dbraw/zinc/67/02/52/955670252.db2.gz LHCSGOQJOVOPFE-UHFFFAOYSA-N -1 1 377.441 1.931 20 0 GDADMM COCc1cccc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])c1 ZINC000851699258 955808438 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O=S(=O)([N-]CC(F)F)c1ccccc1S(=O)(=O)N[C@@]12C[C@@H]1CCCC2 ZINC000632300604 532023760 /nfs/dbraw/zinc/02/37/60/532023760.db2.gz XIBZXRHGFGPLCS-NHYWBVRUSA-N -1 1 394.465 1.841 20 0 GDADMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(F)cc(C(=O)OC)c2F)[C@@H]1OC ZINC000599281909 532024788 /nfs/dbraw/zinc/02/47/88/532024788.db2.gz WWAKATGBDXFTKC-WDMOLILDSA-N -1 1 379.381 1.222 20 0 GDADMM Cc1cnc(SCC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)[n-]c1=O ZINC000577411694 532036270 /nfs/dbraw/zinc/03/62/70/532036270.db2.gz KSIUSVARYBBPBN-UHFFFAOYSA-N -1 1 382.467 1.486 20 0 GDADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC3(CCC3(F)F)C2)c(F)c1 ZINC000577921105 532041063 /nfs/dbraw/zinc/04/10/63/532041063.db2.gz QVJBRGMYKQVAPA-UHFFFAOYSA-N -1 1 384.401 1.617 20 0 GDADMM CC(=O)CN(CC(C)C)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000420703285 532042354 /nfs/dbraw/zinc/04/23/54/532042354.db2.gz UQUVKNHWYREHBH-UHFFFAOYSA-N -1 1 380.463 1.433 20 0 GDADMM Cc1ccc(I)cc1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000372806895 532045259 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Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)CCn1cc(Br)cn1 ZINC000603910695 532096654 /nfs/dbraw/zinc/09/66/54/532096654.db2.gz WNVDNFPKQFGNLN-UHFFFAOYSA-N -1 1 393.245 1.717 20 0 GDADMM COC(=O)c1coc(S(=O)(=O)[N-]CCn2cc(Br)cn2)c1 ZINC000285646747 532101785 /nfs/dbraw/zinc/10/17/85/532101785.db2.gz OUNIIKIACLDEIS-UHFFFAOYSA-N -1 1 378.204 1.004 20 0 GDADMM Cc1cc(=O)n2[n-]c(NC(=O)c3ccc(I)cc3)nc2n1 ZINC000608800725 532105647 /nfs/dbraw/zinc/10/56/47/532105647.db2.gz WOXAGUYIKWHBMP-UHFFFAOYSA-N -1 1 395.160 1.005 20 0 GDADMM C[C@@H](Oc1ccccc1Br)C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000374010245 532107143 /nfs/dbraw/zinc/10/71/43/532107143.db2.gz AQUWTDGAXGGZEK-BXKDBHETSA-N -1 1 382.218 1.330 20 0 GDADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)c(F)c1 ZINC000329914068 532110269 /nfs/dbraw/zinc/11/02/69/532110269.db2.gz OZDRIUNETMGDFG-BNOWGMLFSA-N -1 1 392.474 1.433 20 0 GDADMM Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCC[C@H]2NS(C)(=O)=O)c(F)c1 ZINC000425169647 532121394 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CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cc(F)cc(F)c1F ZINC000431177498 532261984 /nfs/dbraw/zinc/26/19/84/532261984.db2.gz GRROPCZVVVCIHL-UHFFFAOYSA-N -1 1 380.369 1.813 20 0 GDADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N1CC[C@@]2(CCOC2)C1 ZINC000377987926 532278129 /nfs/dbraw/zinc/27/81/29/532278129.db2.gz GUFXKTAJFOHXEJ-OAHLLOKOSA-N -1 1 393.292 1.911 20 0 GDADMM CCN1C(=O)[C@@H]2CN(C(=O)c3cc(Br)ccc3[O-])CCN2C1=O ZINC000378058300 532280946 /nfs/dbraw/zinc/28/09/46/532280946.db2.gz LRTPMQMGWYOJTE-NSHDSACASA-N -1 1 382.214 1.263 20 0 GDADMM Cc1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C2CC(C)(C)C2)nc1 ZINC000349452109 532286479 /nfs/dbraw/zinc/28/64/79/532286479.db2.gz CUHPTAFRBQGNJE-UHFFFAOYSA-N -1 1 389.543 1.972 20 0 GDADMM C[C@H](C[S@](C)=O)N(C)C(=O)c1ccc(I)c([O-])c1 ZINC000399957533 532303605 /nfs/dbraw/zinc/30/36/05/532303605.db2.gz WOLBLXNUDXSNHV-CVJBHZAOSA-N -1 1 381.235 1.836 20 0 GDADMM CCO[C@H]1C[C@@]([N-]S(=O)(=O)c2cc(F)ccc2F)(C(=O)OC)C1(C)C ZINC000275834844 532311624 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CC(C)(C)OC(=O)NC1CCC(NC(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000735632924 598849337 /nfs/dbraw/zinc/84/93/37/598849337.db2.gz IRALFMSIUQTAGI-UHFFFAOYSA-N -1 1 387.444 1.827 20 0 GDADMM CC(C)(C)OC(=O)NC1CCC(NC(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000735632924 598849338 /nfs/dbraw/zinc/84/93/38/598849338.db2.gz IRALFMSIUQTAGI-UHFFFAOYSA-N -1 1 387.444 1.827 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@@H](C)c2c(C)noc2C)cc1-c1nn[n-]n1 ZINC000737188067 598878766 /nfs/dbraw/zinc/87/87/66/598878766.db2.gz XODYGIYJJMEONJ-LURJTMIESA-N -1 1 375.414 1.785 20 0 GDADMM COC(=O)[C@@H](OC(=O)c1c([O-])cc(F)cc1F)c1ccc(-c2nn[nH]n2)cc1 ZINC000736899002 598899221 /nfs/dbraw/zinc/89/92/21/598899221.db2.gz LWYYRTMORDEISB-AWEZNQCLSA-N -1 1 390.302 1.922 20 0 GDADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc2c(c1)n(C)c(=O)n2C ZINC000737300565 598931741 /nfs/dbraw/zinc/93/17/41/598931741.db2.gz BHHWKROXBNSFBA-UHFFFAOYSA-N -1 1 399.436 1.166 20 0 GDADMM O=c1n(CCCNc2c3ccccc3nnc2-c2nnn[n-]2)nc2n1CCCC2 ZINC000738380707 598937215 /nfs/dbraw/zinc/93/72/15/598937215.db2.gz HBKIRMZCZOEDAB-UHFFFAOYSA-N -1 1 392.427 1.007 20 0 GDADMM O=c1n(CCCNc2c3ccccc3nnc2-c2nn[n-]n2)nc2n1CCCC2 ZINC000738380707 598937216 /nfs/dbraw/zinc/93/72/16/598937216.db2.gz HBKIRMZCZOEDAB-UHFFFAOYSA-N -1 1 392.427 1.007 20 0 GDADMM CNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)c1 ZINC000736879737 598946754 /nfs/dbraw/zinc/94/67/54/598946754.db2.gz ZKEZCHLOCJBYTJ-UHFFFAOYSA-N -1 1 387.425 1.727 20 0 GDADMM O=C(CNc1c2ccccc2nnc1-c1nnn[n-]1)N1CCc2ccccc2C1 ZINC000737894629 598965826 /nfs/dbraw/zinc/96/58/26/598965826.db2.gz IMRZEMPYUYNDLG-UHFFFAOYSA-N -1 1 386.419 1.807 20 0 GDADMM O=C(CNc1c2ccccc2nnc1-c1nn[n-]n1)N1CCc2ccccc2C1 ZINC000737894629 598965827 /nfs/dbraw/zinc/96/58/27/598965827.db2.gz IMRZEMPYUYNDLG-UHFFFAOYSA-N -1 1 386.419 1.807 20 0 GDADMM Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)Nc2cccc(-c3nn[nH]n3)c2C)c1 ZINC000822184563 607255244 /nfs/dbraw/zinc/25/52/44/607255244.db2.gz XAEJOKDNIFQNHT-UHFFFAOYSA-N -1 1 389.393 1.688 20 0 GDADMM Cc1ccc(N2CCC[C@H](Nc3c4ccccc4nnc3-c3nnn[n-]3)C2)nn1 ZINC000737350792 598967470 /nfs/dbraw/zinc/96/74/70/598967470.db2.gz HYROVZKRDCQZGM-ZDUSSCGKSA-N -1 1 388.439 1.989 20 0 GDADMM Cc1ccc(N2CCC[C@H](Nc3c4ccccc4nnc3-c3nn[n-]n3)C2)nn1 ZINC000737350792 598967472 /nfs/dbraw/zinc/96/74/72/598967472.db2.gz HYROVZKRDCQZGM-ZDUSSCGKSA-N -1 1 388.439 1.989 20 0 GDADMM Cc1c([N-]S(=O)(=O)c2cccc(-c3nnnn3C)c2)cccc1-c1nn[nH]n1 ZINC000822129525 607255737 /nfs/dbraw/zinc/25/57/37/607255737.db2.gz KRQLZDKPWKIJDY-UHFFFAOYSA-N -1 1 397.424 1.166 20 0 GDADMM O=C(NCc1ccccc1)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000738117132 598985056 /nfs/dbraw/zinc/98/50/56/598985056.db2.gz QUHUSQZQWULDJJ-UHFFFAOYSA-N -1 1 391.435 1.430 20 0 GDADMM O=C(NCc1ccccc1)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000738117132 598985057 /nfs/dbraw/zinc/98/50/57/598985057.db2.gz QUHUSQZQWULDJJ-UHFFFAOYSA-N -1 1 391.435 1.430 20 0 GDADMM O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738192408 598985780 /nfs/dbraw/zinc/98/57/80/598985780.db2.gz ZWRCOPNHWVOJAB-ZDUSSCGKSA-N -1 1 393.407 1.423 20 0 GDADMM O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738192408 598985782 /nfs/dbraw/zinc/98/57/82/598985782.db2.gz ZWRCOPNHWVOJAB-ZDUSSCGKSA-N -1 1 393.407 1.423 20 0 GDADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc(N2CCOC2=O)c1 ZINC000736119559 598998215 /nfs/dbraw/zinc/99/82/15/598998215.db2.gz PALXSOYGOUWMQS-LLVKDONJSA-N -1 1 379.380 1.709 20 0 GDADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc(N2CCOC2=O)c1 ZINC000736119559 598998216 /nfs/dbraw/zinc/99/82/16/598998216.db2.gz PALXSOYGOUWMQS-LLVKDONJSA-N -1 1 379.380 1.709 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000738259793 599002792 /nfs/dbraw/zinc/00/27/92/599002792.db2.gz WGZXIVCREZHLMU-UHFFFAOYSA-N -1 1 399.361 1.138 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000738259793 599002794 /nfs/dbraw/zinc/00/27/94/599002794.db2.gz WGZXIVCREZHLMU-UHFFFAOYSA-N -1 1 399.361 1.138 20 0 GDADMM O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000738165058 599028688 /nfs/dbraw/zinc/02/86/88/599028688.db2.gz DHMNAHOQIGWJIF-CQSZACIVSA-N -1 1 396.386 1.437 20 0 GDADMM O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000738165058 599028690 /nfs/dbraw/zinc/02/86/90/599028690.db2.gz DHMNAHOQIGWJIF-CQSZACIVSA-N -1 1 396.386 1.437 20 0 GDADMM CC[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1cccc(Cl)c1 ZINC000820927096 599095510 /nfs/dbraw/zinc/09/55/10/599095510.db2.gz YXWFGGCLGPPKNL-LLVKDONJSA-N -1 1 375.820 1.481 20 0 GDADMM COc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)c(OC)c1 ZINC000737065825 599135084 /nfs/dbraw/zinc/13/50/84/599135084.db2.gz PLNVQWQRQYEDEO-JTQLQIEISA-N -1 1 383.364 1.707 20 0 GDADMM COc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)c(OC)c1 ZINC000737065825 599135086 /nfs/dbraw/zinc/13/50/86/599135086.db2.gz PLNVQWQRQYEDEO-JTQLQIEISA-N -1 1 383.364 1.707 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)NCCCOC1CCCCC1 ZINC000737907958 599136844 /nfs/dbraw/zinc/13/68/44/599136844.db2.gz GENXUUQKIWHACL-UHFFFAOYSA-N -1 1 388.428 1.274 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)NCCCOC1CCCCC1 ZINC000737907958 599136847 /nfs/dbraw/zinc/13/68/47/599136847.db2.gz GENXUUQKIWHACL-UHFFFAOYSA-N -1 1 388.428 1.274 20 0 GDADMM C[C@@H](NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(Cl)cc1 ZINC000736104687 599138012 /nfs/dbraw/zinc/13/80/12/599138012.db2.gz IMYUWZVGTYDPIZ-SNVBAGLBSA-N -1 1 386.799 1.949 20 0 GDADMM C[C@@H](NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(Cl)cc1 ZINC000736104687 599138015 /nfs/dbraw/zinc/13/80/15/599138015.db2.gz IMYUWZVGTYDPIZ-SNVBAGLBSA-N -1 1 386.799 1.949 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)NC[C@@H](C)c1ccccc1 ZINC000736157682 599138154 /nfs/dbraw/zinc/13/81/54/599138154.db2.gz KWCWIKPKXYOXDN-CHWSQXEVSA-N -1 1 380.408 1.727 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)NC[C@@H](C)c1ccccc1 ZINC000736157682 599138156 /nfs/dbraw/zinc/13/81/56/599138156.db2.gz KWCWIKPKXYOXDN-CHWSQXEVSA-N -1 1 380.408 1.727 20 0 GDADMM CS[C@H]1CC[C@H](NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C1 ZINC000821949184 599184221 /nfs/dbraw/zinc/18/42/21/599184221.db2.gz FSMOFZZCFUQLNB-RYUDHWBXSA-N -1 1 376.486 1.917 20 0 GDADMM CN(C)c1cccc(CN(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000821590671 607259738 /nfs/dbraw/zinc/25/97/38/607259738.db2.gz AEGFKGNHVICVFT-UHFFFAOYSA-N -1 1 390.444 1.893 20 0 GDADMM Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000533203143 597074189 /nfs/dbraw/zinc/07/41/89/597074189.db2.gz NBPNUJZQPRKONK-CVEARBPZSA-N -1 1 375.469 1.933 20 0 GDADMM Cc1nc(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000566773999 597097777 /nfs/dbraw/zinc/09/77/77/597097777.db2.gz NORCUJGTLKMFAO-QMMMGPOBSA-N -1 1 387.322 1.040 20 0 GDADMM COc1ccc(S(=O)(=O)N(CCN(C)C)CC(=O)[O-])c(Cl)c1Cl ZINC000534760819 597130352 /nfs/dbraw/zinc/13/03/52/597130352.db2.gz NDCWTRGVXKQIOS-UHFFFAOYSA-N -1 1 385.269 1.639 20 0 GDADMM COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccccc2CC(=O)[O-])c1 ZINC000818523906 597452534 /nfs/dbraw/zinc/45/25/34/597452534.db2.gz POPGDQUPAPALEH-UHFFFAOYSA-N -1 1 379.390 1.910 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)n1 ZINC000822620534 607317969 /nfs/dbraw/zinc/31/79/69/607317969.db2.gz VOSHNGDJPSIJRZ-UHFFFAOYSA-N -1 1 388.391 1.849 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)n1 ZINC000822620534 607317970 /nfs/dbraw/zinc/31/79/70/607317970.db2.gz VOSHNGDJPSIJRZ-UHFFFAOYSA-N -1 1 388.391 1.849 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCCC[C@@H]2CCCC[C@@H]2O)cc1-c1nn[n-]n1 ZINC000821978344 607324920 /nfs/dbraw/zinc/32/49/20/607324920.db2.gz LUESGEKVMBUITA-GWCFXTLKSA-N -1 1 392.485 1.750 20 0 GDADMM O=S(=O)([N-]c1ncccc1Br)c1ccc(-c2nn[nH]n2)cc1 ZINC000823588833 607326101 /nfs/dbraw/zinc/32/61/01/607326101.db2.gz CFEFEFBZCIFATG-UHFFFAOYSA-N -1 1 381.215 1.825 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCN1CCOC[C@@H]1C ZINC000737546234 598234610 /nfs/dbraw/zinc/23/46/10/598234610.db2.gz BGJOYKSKASLXIT-LBPRGKRZSA-N -1 1 385.428 1.009 20 0 GDADMM O=S(=O)(NCCSc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738339630 598261136 /nfs/dbraw/zinc/26/11/36/598261136.db2.gz TYVMSSRBEGOYBO-UHFFFAOYSA-N -1 1 396.885 1.986 20 0 GDADMM O=S(=O)(NCCSc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738339630 598261137 /nfs/dbraw/zinc/26/11/37/598261137.db2.gz TYVMSSRBEGOYBO-UHFFFAOYSA-N -1 1 396.885 1.986 20 0 GDADMM COc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737073975 598261413 /nfs/dbraw/zinc/26/14/13/598261413.db2.gz DCDUVFTXAASZDE-INIZCTEOSA-N -1 1 386.437 1.796 20 0 GDADMM COc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737073975 598261414 /nfs/dbraw/zinc/26/14/14/598261414.db2.gz DCDUVFTXAASZDE-INIZCTEOSA-N -1 1 386.437 1.796 20 0 GDADMM CN(CCOc1ccccc1F)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736804188 598261817 /nfs/dbraw/zinc/26/18/17/598261817.db2.gz IXRJAZMYJSPBTK-UHFFFAOYSA-N -1 1 378.389 1.100 20 0 GDADMM CN(CCOc1ccccc1F)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736804188 598261818 /nfs/dbraw/zinc/26/18/18/598261818.db2.gz IXRJAZMYJSPBTK-UHFFFAOYSA-N -1 1 378.389 1.100 20 0 GDADMM O=S(=O)(NCc1coc(-c2cccs2)n1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344715 598262979 /nfs/dbraw/zinc/26/29/79/598262979.db2.gz GMCDIUMUFHIKGP-UHFFFAOYSA-N -1 1 389.422 1.457 20 0 GDADMM O=S(=O)(NCc1coc(-c2cccs2)n1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738344715 598262981 /nfs/dbraw/zinc/26/29/81/598262981.db2.gz GMCDIUMUFHIKGP-UHFFFAOYSA-N -1 1 389.422 1.457 20 0 GDADMM Cc1ccn(CC(=O)Nc2cccc(C(F)(F)F)c2)c(=O)c1-c1nn[n-]n1 ZINC000822370371 607349494 /nfs/dbraw/zinc/34/94/94/607349494.db2.gz WNZIEDHVAXSMLK-UHFFFAOYSA-N -1 1 378.314 1.994 20 0 GDADMM c1ccc(-c2noc(CN3CCN(c4nccnc4-c4nnn[n-]4)CC3)n2)cc1 ZINC000738427562 598343820 /nfs/dbraw/zinc/34/38/20/598343820.db2.gz XIYJOVXZHXKSSF-UHFFFAOYSA-N -1 1 390.411 1.029 20 0 GDADMM c1ccc(-c2noc(CN3CCN(c4nccnc4-c4nn[n-]n4)CC3)n2)cc1 ZINC000738427562 598343821 /nfs/dbraw/zinc/34/38/21/598343821.db2.gz XIYJOVXZHXKSSF-UHFFFAOYSA-N -1 1 390.411 1.029 20 0 GDADMM O=C(NC[C@@H]1CCCO1)c1cccc(CNc2nccnc2-c2nnn[n-]2)c1 ZINC000738050845 598349053 /nfs/dbraw/zinc/34/90/53/598349053.db2.gz WUKUWFHEZIJSPB-AWEZNQCLSA-N -1 1 380.412 1.178 20 0 GDADMM O=C(NC[C@@H]1CCCO1)c1cccc(CNc2nccnc2-c2nn[n-]n2)c1 ZINC000738050845 598349055 /nfs/dbraw/zinc/34/90/55/598349055.db2.gz WUKUWFHEZIJSPB-AWEZNQCLSA-N -1 1 380.412 1.178 20 0 GDADMM COc1cc(F)c(S(=O)(=O)[N-]Cc2cccc(-c3nn[nH]n3)c2)c(F)c1 ZINC000737054684 598366754 /nfs/dbraw/zinc/36/67/54/598366754.db2.gz ULXLFJFHAISSMM-UHFFFAOYSA-N -1 1 381.364 1.632 20 0 GDADMM CCc1nn(C[C@@H](O)c2ccc(F)c(F)c2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705407 598374032 /nfs/dbraw/zinc/37/40/32/598374032.db2.gz HTJBIYHBQCORRI-CQSZACIVSA-N -1 1 376.367 1.560 20 0 GDADMM CCc1nn(C[C@H](O)COc2ccc(C)cc2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705437 598374133 /nfs/dbraw/zinc/37/41/33/598374133.db2.gz IJBCDHWRSNPIDP-AWEZNQCLSA-N -1 1 398.467 1.605 20 0 GDADMM CCc1nn(CC(=O)N2CCCc3ccccc32)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705636 598377973 /nfs/dbraw/zinc/37/79/73/598377973.db2.gz MCNFPNNNEZHBCU-UHFFFAOYSA-N -1 1 393.451 1.528 20 0 GDADMM CCc1nn(CC(=O)c2cc(C)ccc2OC)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705284 598379104 /nfs/dbraw/zinc/37/91/04/598379104.db2.gz FFCPBLWTNPYVGW-UHFFFAOYSA-N -1 1 382.424 1.748 20 0 GDADMM COc1cc(OC)cc([C@H](Nc2cnc(-c3nnn[n-]3)cn2)c2nccn2C)c1 ZINC000737051404 598385463 /nfs/dbraw/zinc/38/54/63/598385463.db2.gz JTFVDSKYDAESBM-INIZCTEOSA-N -1 1 393.411 1.609 20 0 GDADMM COc1cc(OC)cc([C@H](Nc2cnc(-c3nn[n-]n3)cn2)c2nccn2C)c1 ZINC000737051404 598385464 /nfs/dbraw/zinc/38/54/64/598385464.db2.gz JTFVDSKYDAESBM-INIZCTEOSA-N -1 1 393.411 1.609 20 0 GDADMM CCC(C)(C)C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000736312548 598409250 /nfs/dbraw/zinc/40/92/50/598409250.db2.gz IFYLHOSMYQJBKD-UHFFFAOYSA-N -1 1 383.412 1.970 20 0 GDADMM CCC(C)(C)C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736312548 598409252 /nfs/dbraw/zinc/40/92/52/598409252.db2.gz IFYLHOSMYQJBKD-UHFFFAOYSA-N -1 1 383.412 1.970 20 0 GDADMM CC(C)c1noc(OCC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)n1 ZINC000735953803 598434303 /nfs/dbraw/zinc/43/43/03/598434303.db2.gz LTHOSNMCPBVACX-UHFFFAOYSA-N -1 1 395.383 1.576 20 0 GDADMM CC(C)c1noc(OCC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)n1 ZINC000735953803 598434304 /nfs/dbraw/zinc/43/43/04/598434304.db2.gz LTHOSNMCPBVACX-UHFFFAOYSA-N -1 1 395.383 1.576 20 0 GDADMM C[C@]1(c2ccc(CNc3ccc(Cl)c(-c4nnn[n-]4)n3)cc2)NC(=O)NC1=O ZINC000736223127 598578706 /nfs/dbraw/zinc/57/87/06/598578706.db2.gz MUOVQWCDHPOAIS-QGZVFWFLSA-N -1 1 398.814 1.582 20 0 GDADMM C[C@]1(c2ccc(CNc3ccc(Cl)c(-c4nn[n-]n4)n3)cc2)NC(=O)NC1=O ZINC000736223127 598578709 /nfs/dbraw/zinc/57/87/09/598578709.db2.gz MUOVQWCDHPOAIS-QGZVFWFLSA-N -1 1 398.814 1.582 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCCCNc2ccccc2)cc1-c1nn[n-]n1 ZINC000737186541 598612129 /nfs/dbraw/zinc/61/21/29/598612129.db2.gz JEHOWTLSMLNVKW-UHFFFAOYSA-N -1 1 385.453 1.921 20 0 GDADMM CCc1nn(CC(=O)NCCCc2ccccc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705222 598641691 /nfs/dbraw/zinc/64/16/91/598641691.db2.gz DGPWSWDBCXJOJY-UHFFFAOYSA-N -1 1 395.467 1.297 20 0 GDADMM CCc1nn(Cc2nc(-c3ccc(F)cc3)no2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736707105 598642751 /nfs/dbraw/zinc/64/27/51/598642751.db2.gz PTUKWZPOZWSJAG-UHFFFAOYSA-N -1 1 396.386 1.786 20 0 GDADMM COc1cc(NC(=O)Cn2cccc(-c3nn[n-]n3)c2=O)c(OC)cc1Cl ZINC000737053671 598675549 /nfs/dbraw/zinc/67/55/49/598675549.db2.gz KAFUGWPTNNKYJK-UHFFFAOYSA-N -1 1 390.787 1.338 20 0 GDADMM CCOC(=O)CC1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000736592714 598688169 /nfs/dbraw/zinc/68/81/69/598688169.db2.gz ULQVMJVBVVZFAI-UHFFFAOYSA-N -1 1 397.432 1.360 20 0 GDADMM CCOc1cccc(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000736653866 598690069 /nfs/dbraw/zinc/69/00/69/598690069.db2.gz DIFFFPUASWHHIK-UHFFFAOYSA-N -1 1 377.401 1.883 20 0 GDADMM COc1cc(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)ccc1C ZINC000737047215 598691904 /nfs/dbraw/zinc/69/19/04/598691904.db2.gz JPZYJZNXEYENCO-UHFFFAOYSA-N -1 1 377.401 1.801 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCC(n2cccn2)CC1 ZINC000738355384 598694325 /nfs/dbraw/zinc/69/43/25/598694325.db2.gz PVHTVRYZNMDFDA-UHFFFAOYSA-N -1 1 377.405 1.228 20 0 GDADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)NCCCc1ccccc1 ZINC000737981966 598719745 /nfs/dbraw/zinc/71/97/45/598719745.db2.gz LFFYGGRPKXFQHM-UHFFFAOYSA-N -1 1 388.431 1.931 20 0 GDADMM Cc1cc(NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)n(C)n1 ZINC000737275096 598721386 /nfs/dbraw/zinc/72/13/86/598721386.db2.gz QAMPGPIEWUQJFE-UHFFFAOYSA-N -1 1 398.814 1.516 20 0 GDADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CCCOc2c(C)cccc2C)c1 ZINC000736941173 598790392 /nfs/dbraw/zinc/79/03/92/598790392.db2.gz QIDPQJAETVMPHS-UHFFFAOYSA-N -1 1 383.408 1.901 20 0 GDADMM CCO[C@H]1C[C@@H](N(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1(C)C ZINC000821358873 599344988 /nfs/dbraw/zinc/34/49/88/599344988.db2.gz LFBLCMGXFCFOLR-OLZOCXBDSA-N -1 1 383.449 1.830 20 0 GDADMM CCO[C@H]1C[C@@H](N(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1(C)C ZINC000821358873 599344990 /nfs/dbraw/zinc/34/49/90/599344990.db2.gz LFBLCMGXFCFOLR-OLZOCXBDSA-N -1 1 383.449 1.830 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCOC[C@@H]1c1ccco1 ZINC000823607825 599346371 /nfs/dbraw/zinc/34/63/71/599346371.db2.gz XSAJXPCUMRTAFL-LLVKDONJSA-N -1 1 379.373 1.361 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCOC[C@@H]1c1ccco1 ZINC000823607825 599346373 /nfs/dbraw/zinc/34/63/73/599346373.db2.gz XSAJXPCUMRTAFL-LLVKDONJSA-N -1 1 379.373 1.361 20 0 GDADMM COc1ccccc1O[C@@H](C)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821903153 599370217 /nfs/dbraw/zinc/37/02/17/599370217.db2.gz BYPJTYAENFBKBY-NSHDSACASA-N -1 1 390.425 1.016 20 0 GDADMM COc1ccccc1O[C@@H](C)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821903153 599370220 /nfs/dbraw/zinc/37/02/20/599370220.db2.gz BYPJTYAENFBKBY-NSHDSACASA-N -1 1 390.425 1.016 20 0 GDADMM CC(C)NS(=O)(=O)Cc1ccccc1CNc1cccc(-c2nnn[n-]2)n1 ZINC000735891936 599398973 /nfs/dbraw/zinc/39/89/73/599398973.db2.gz APTURQWLXJBHHE-UHFFFAOYSA-N -1 1 387.469 1.702 20 0 GDADMM CC(C)NS(=O)(=O)Cc1ccccc1CNc1cccc(-c2nn[n-]n2)n1 ZINC000735891936 599398976 /nfs/dbraw/zinc/39/89/76/599398976.db2.gz APTURQWLXJBHHE-UHFFFAOYSA-N -1 1 387.469 1.702 20 0 GDADMM C[C@@H](CC(N)=O)NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000820232840 599403571 /nfs/dbraw/zinc/40/35/71/599403571.db2.gz HNIUDIIIWATQNN-JTQLQIEISA-N -1 1 384.371 1.792 20 0 GDADMM C[C@@H](CC(N)=O)NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000820232840 599403573 /nfs/dbraw/zinc/40/35/73/599403573.db2.gz HNIUDIIIWATQNN-JTQLQIEISA-N -1 1 384.371 1.792 20 0 GDADMM O=C(C1CCCCC1)N1CCN(CCNc2cccc(-c3nn[n-]n3)n2)CC1 ZINC000737787659 599437519 /nfs/dbraw/zinc/43/75/19/599437519.db2.gz YMQXHYZXUTZNFZ-UHFFFAOYSA-N -1 1 384.488 1.398 20 0 GDADMM CCS(=O)(=O)N(C)CCCNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000821441294 599473594 /nfs/dbraw/zinc/47/35/94/599473594.db2.gz KCDIBQOPPJOURR-UHFFFAOYSA-N -1 1 375.458 1.498 20 0 GDADMM CCS(=O)(=O)N(C)CCCNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000821441294 599473596 /nfs/dbraw/zinc/47/35/96/599473596.db2.gz KCDIBQOPPJOURR-UHFFFAOYSA-N -1 1 375.458 1.498 20 0 GDADMM C[C@@H]1[C@H](C)[S@@](=O)CCN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736224357 599480447 /nfs/dbraw/zinc/48/04/47/599480447.db2.gz MJCOVYLGQFUSGX-OIFKANJSSA-N -1 1 389.890 1.050 20 0 GDADMM C[C@@H]1[C@H](C)[S@@](=O)CCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736224357 599480448 /nfs/dbraw/zinc/48/04/48/599480448.db2.gz MJCOVYLGQFUSGX-OIFKANJSSA-N -1 1 389.890 1.050 20 0 GDADMM Cc1nc(C(C)(C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)sc1C ZINC000737468169 599481902 /nfs/dbraw/zinc/48/19/02/599481902.db2.gz NXSTZVJBFXNEAP-UHFFFAOYSA-N -1 1 379.471 1.549 20 0 GDADMM Cc1nc(C(C)(C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)sc1C ZINC000737468169 599481903 /nfs/dbraw/zinc/48/19/03/599481903.db2.gz NXSTZVJBFXNEAP-UHFFFAOYSA-N -1 1 379.471 1.549 20 0 GDADMM CC1=NC(=S)N[C@H](c2ccc(-c3nnn[n-]3)o2)C1C(=O)OCc1ccccc1 ZINC000820642015 599492018 /nfs/dbraw/zinc/49/20/18/599492018.db2.gz GHOFWWBBCIXVSR-OAHLLOKOSA-N -1 1 396.432 1.996 20 0 GDADMM CC1=NC(=S)N[C@H](c2ccc(-c3nn[n-]n3)o2)C1C(=O)OCc1ccccc1 ZINC000820642015 599492019 /nfs/dbraw/zinc/49/20/19/599492019.db2.gz GHOFWWBBCIXVSR-OAHLLOKOSA-N -1 1 396.432 1.996 20 0 GDADMM Cc1cc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(-c3nnn[n-]3)o2)no1 ZINC000820634721 599492365 /nfs/dbraw/zinc/49/23/65/599492365.db2.gz IDERHJNOYXQEKC-LBPRGKRZSA-N -1 1 386.397 1.188 20 0 GDADMM Cc1cc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(-c3nn[n-]n3)o2)no1 ZINC000820634721 599492368 /nfs/dbraw/zinc/49/23/68/599492368.db2.gz IDERHJNOYXQEKC-LBPRGKRZSA-N -1 1 386.397 1.188 20 0 GDADMM CCc1noc([C@H](C)OC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)n1 ZINC000821554511 599651241 /nfs/dbraw/zinc/65/12/41/599651241.db2.gz NUKIYDQZBUCXOH-JTQLQIEISA-N -1 1 387.400 1.767 20 0 GDADMM COC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821653517 599651784 /nfs/dbraw/zinc/65/17/84/599651784.db2.gz CTNIYAVVWQLEBD-ZBFHGGJFSA-N -1 1 384.440 1.846 20 0 GDADMM COC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821653517 599651785 /nfs/dbraw/zinc/65/17/85/599651785.db2.gz CTNIYAVVWQLEBD-ZBFHGGJFSA-N -1 1 384.440 1.846 20 0 GDADMM C[C@@H]1CN(CCCNC(=O)C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)C[C@H](C)O1 ZINC000736809509 599722303 /nfs/dbraw/zinc/72/23/03/599722303.db2.gz LNYRPKUZZCZWHS-TXEJJXNPSA-N -1 1 396.419 1.470 20 0 GDADMM O=C([O-])CSCCC(=O)Nc1ccc2nc(CCN3CCOCC3)[nH]c2c1 ZINC000739850631 599756269 /nfs/dbraw/zinc/75/62/69/599756269.db2.gz XGBOTLUAKIWWIL-UHFFFAOYSA-N -1 1 392.481 1.584 20 0 GDADMM COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)NC[C@@H](C)N(C)C2CC2)c1OC ZINC000737871745 599775277 /nfs/dbraw/zinc/77/52/77/599775277.db2.gz MXQLWVXBXRQTDD-VVEJJEBESA-N -1 1 398.481 1.563 20 0 GDADMM CNC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)OC)sc2C(=O)[O-])c1 ZINC000737551279 599813940 /nfs/dbraw/zinc/81/39/40/599813940.db2.gz FRVVAXOMTAOFEW-UHFFFAOYSA-N -1 1 398.418 1.393 20 0 GDADMM O=C([O-])/C=C1/SCC(=O)N1CCCSc1nc(-c2cccnc2)n[nH]1 ZINC000739624857 599833082 /nfs/dbraw/zinc/83/30/82/599833082.db2.gz MEPBQWYBMJCMCT-KPKJPENVSA-N -1 1 377.451 1.850 20 0 GDADMM CC(C)CN1CCO[C@H](CNC(=O)C(=O)Nc2ccc(CCC(=O)[O-])cc2)C1 ZINC000736443025 599876924 /nfs/dbraw/zinc/87/69/24/599876924.db2.gz KKYWAUQNENPPBP-QGZVFWFLSA-N -1 1 391.468 1.115 20 0 GDADMM COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)N2CC[C@@H](N(C)C)C2)c1OC ZINC000737874514 599878059 /nfs/dbraw/zinc/87/80/59/599878059.db2.gz VPODWFYTAYGTAQ-CFHLNLSMSA-N -1 1 384.454 1.126 20 0 GDADMM CN1CCN(C[C@H](NC(=O)NCCSCC(=O)[O-])c2ccccc2)CC1 ZINC000737525955 599897382 /nfs/dbraw/zinc/89/73/82/599897382.db2.gz IRIGIGIGNGOVSJ-INIZCTEOSA-N -1 1 380.514 1.092 20 0 GDADMM COc1ccnc(N2CCN(C(=O)C(=O)Nc3ccc(C(=O)[O-])cc3)CC2)c1 ZINC000738128664 599907060 /nfs/dbraw/zinc/90/70/60/599907060.db2.gz ZQFAWWHNWGWOIQ-UHFFFAOYSA-N -1 1 384.392 1.076 20 0 GDADMM O=C([O-])[C@@H]1CN(CC(=O)N2CCN(Cc3cccc4ccccc43)CC2)CCO1 ZINC000676231791 599966615 /nfs/dbraw/zinc/96/66/15/599966615.db2.gz PMOKSXCHODKSNW-FQEVSTJZSA-N -1 1 397.475 1.269 20 0 GDADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1cccnc1N1CCOCC1 ZINC000738277414 599966846 /nfs/dbraw/zinc/96/68/46/599966846.db2.gz WZPPUCBNJJILNC-UHFFFAOYSA-N -1 1 377.422 1.726 20 0 GDADMM CC(C)(C)C(=O)N[C@H]1CCCN(C[C@@H](O)COc2ccc(C(=O)[O-])cc2)C1 ZINC000736242702 599992426 /nfs/dbraw/zinc/99/24/26/599992426.db2.gz YSFCPEVTCZQCCN-JKSUJKDBSA-N -1 1 378.469 1.751 20 0 GDADMM Cc1cc(NC(=O)C(=O)NC[C@H]2CN(CC(C)C)CCO2)ccc1C(=O)[O-] ZINC000738411052 600042823 /nfs/dbraw/zinc/04/28/23/600042823.db2.gz OBQDZLAWHPVNGL-HNNXBMFYSA-N -1 1 377.441 1.105 20 0 GDADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736650813 600103768 /nfs/dbraw/zinc/10/37/68/600103768.db2.gz QLVKRPTUWAMBJM-LLVKDONJSA-N -1 1 378.388 1.922 20 0 GDADMM CC(C)N1CCO[C@H](CN2CCN(C(=O)c3ccc(C(=O)[O-])s3)CC2)C1 ZINC000736475372 600117806 /nfs/dbraw/zinc/11/78/06/600117806.db2.gz UCJOMYUMKMUILF-CQSZACIVSA-N -1 1 381.498 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O=C1N[C@@]2(CCCCc3ccccc32)C(=O)N1Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826481893 607539633 /nfs/dbraw/zinc/53/96/33/607539633.db2.gz LCFUFQYMTURJEE-HXUWFJFHSA-N -1 1 389.419 1.935 20 0 GDADMM C[C@H](NC(=O)c1ccc(CN2CCN(C)CC2)cc1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739023450 602033203 /nfs/dbraw/zinc/03/32/03/602033203.db2.gz MXUVZNNKLCMHKL-QFBILLFUSA-N -1 1 388.512 1.942 20 0 GDADMM NS(=O)(=O)NC[C@H]1CCCN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000833088637 602039150 /nfs/dbraw/zinc/03/91/50/602039150.db2.gz RKXYZQKDSAPBOU-NOZJJQNGSA-N -1 1 396.296 1.624 20 0 GDADMM O=c1c2cc(Br)ccc2ncn1Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826501485 607541867 /nfs/dbraw/zinc/54/18/67/607541867.db2.gz SIUQJOVYNVJBCZ-UHFFFAOYSA-N -1 1 384.197 1.782 20 0 GDADMM O=c1c2cc(Br)ccc2ncn1Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826501485 607541869 /nfs/dbraw/zinc/54/18/69/607541869.db2.gz SIUQJOVYNVJBCZ-UHFFFAOYSA-N -1 1 384.197 1.782 20 0 GDADMM COc1cccc([C@H](CNC(=O)NC[C@@H]2CCCN(C(=O)[O-])C2)N(C)C)c1 ZINC000739946946 602061591 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AMLSXZIDBACJKS-HNNXBMFYSA-N -1 1 375.473 1.963 20 0 GDADMM C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)[C@@H]1CCCO1 ZINC000824640753 607583535 /nfs/dbraw/zinc/58/35/35/607583535.db2.gz NXHCKIARJPOYTC-KCJUWKMLSA-N -1 1 391.375 1.731 20 0 GDADMM C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739173166 602761157 /nfs/dbraw/zinc/76/11/57/602761157.db2.gz FYMHJEVHLQODCA-RVKKMQEKSA-N -1 1 392.475 1.841 20 0 GDADMM C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739173860 602761501 /nfs/dbraw/zinc/76/15/01/602761501.db2.gz GNOLOINZCINMJL-IIAWOOMASA-N -1 1 391.468 1.483 20 0 GDADMM COc1ccccc1[C@@H](CNC(=O)[C@H]1COCCN1C(=O)[O-])N1CCCC1 ZINC000739958889 602826720 /nfs/dbraw/zinc/82/67/20/602826720.db2.gz MSVUGUIHSSORGG-HZPDHXFCSA-N -1 1 377.441 1.327 20 0 GDADMM COc1ccc(CN2CCCN(C(=O)[C@@H]3COCCN3C(=O)[O-])CC2)cc1 ZINC000739901979 602837469 /nfs/dbraw/zinc/83/74/69/602837469.db2.gz CTRMPUQSSSZQDX-KRWDZBQOSA-N -1 1 377.441 1.108 20 0 GDADMM O=C([O-])NCCCNC(=O)c1n[nH]c2ccc(I)cc21 ZINC000832617173 602850026 /nfs/dbraw/zinc/85/00/26/602850026.db2.gz SJRDFYNJTJMSCA-UHFFFAOYSA-N -1 1 388.165 1.555 20 0 GDADMM COc1ccccc1[C@@H](CNC(=O)[C@@H]1COCCN1C(=O)[O-])N1CCCCC1 ZINC000739959347 602856857 /nfs/dbraw/zinc/85/68/57/602856857.db2.gz NVLXBDRPJLIJNS-SJORKVTESA-N -1 1 391.468 1.717 20 0 GDADMM Cc1c(CN2CCSCC2)cccc1NC(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000740048550 602870230 /nfs/dbraw/zinc/87/02/30/602870230.db2.gz LEGIVUNRFHLMJK-INIZCTEOSA-N -1 1 379.482 1.861 20 0 GDADMM CN(CCN1CCN(C(=O)[O-])CC1)C[C@H](O)c1ccccc1C(F)(F)F ZINC000739685213 602873240 /nfs/dbraw/zinc/87/32/40/602873240.db2.gz SHPVEKJVPVMOSS-HNNXBMFYSA-N -1 1 375.391 1.966 20 0 GDADMM COc1ccccc1[C@H](NC(=O)[O-])C(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000739969244 602886505 /nfs/dbraw/zinc/88/65/05/602886505.db2.gz WVUZIUWLFBGADT-YOEHRIQHSA-N -1 1 379.457 1.477 20 0 GDADMM C[C@H]1CN(C(=O)NC2CCN(Cc3ccncc3)CC2)C[C@H](C)N1C(=O)[O-] ZINC000739137715 602888301 /nfs/dbraw/zinc/88/83/01/602888301.db2.gz UEBGWJMDDLMOAK-GJZGRUSLSA-N -1 1 375.473 1.828 20 0 GDADMM CC(=O)N(C)C1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000823966959 607598306 /nfs/dbraw/zinc/59/83/06/607598306.db2.gz FHHJPEARJVDBLN-UHFFFAOYSA-N -1 1 398.876 1.152 20 0 GDADMM C[C@H](COCC(F)(F)F)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824440247 607598889 /nfs/dbraw/zinc/59/88/89/607598889.db2.gz BMLTWOQRNPVFHI-SSDOTTSWSA-N -1 1 383.327 1.252 20 0 GDADMM C[C@H](COCC(F)(F)F)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824440247 607598890 /nfs/dbraw/zinc/59/88/90/607598890.db2.gz BMLTWOQRNPVFHI-SSDOTTSWSA-N -1 1 383.327 1.252 20 0 GDADMM O=S(=O)(N[C@H]1C[C@H]1c1cccc(F)c1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826488430 607599428 /nfs/dbraw/zinc/59/94/28/607599428.db2.gz PJWJZCXLWTUMQO-JSGCOSHPSA-N -1 1 377.376 1.979 20 0 GDADMM CCOC(=O)C1CCC(NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000825499275 607603188 /nfs/dbraw/zinc/60/31/88/607603188.db2.gz JKGPHYOIVAYTGL-UHFFFAOYSA-N -1 1 397.432 1.406 20 0 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CCCc1nnc([C@H]2CN(C(=O)N[C@@H]3CCCCN(C(=O)[O-])C3)CCO2)[nH]1 ZINC000826954318 603524212 /nfs/dbraw/zinc/52/42/12/603524212.db2.gz PVHRPEMXYRZVCO-CHWSQXEVSA-N -1 1 380.449 1.373 20 0 GDADMM CCCc1n[nH]c([C@H]2CN(C(=O)N[C@@H]3CCCCN(C(=O)[O-])C3)CCO2)n1 ZINC000826954318 603524214 /nfs/dbraw/zinc/52/42/14/603524214.db2.gz PVHRPEMXYRZVCO-CHWSQXEVSA-N -1 1 380.449 1.373 20 0 GDADMM CCCc1nc([C@@H]2CN(C(=O)N[C@H]3CCC[C@@H]3CNC(=O)[O-])CCO2)n[nH]1 ZINC000826953722 603525886 /nfs/dbraw/zinc/52/58/86/603525886.db2.gz KWSVVMUOZHIDQW-AGIUHOORSA-N -1 1 380.449 1.276 20 0 GDADMM CCCc1n[nH]c([C@@H]2CN(C(=O)N[C@H]3CCC[C@@H]3CNC(=O)[O-])CCO2)n1 ZINC000826953722 603525889 /nfs/dbraw/zinc/52/58/89/603525889.db2.gz KWSVVMUOZHIDQW-AGIUHOORSA-N -1 1 380.449 1.276 20 0 GDADMM CCN(CC1CCN(CC(=O)N2CCN(Cc3ccco3)CC2)CC1)C(=O)[O-] ZINC000827094080 603539944 /nfs/dbraw/zinc/53/99/44/603539944.db2.gz VYIYPWLKHFUGGJ-UHFFFAOYSA-N -1 1 392.500 1.636 20 0 GDADMM CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N1CC[C@@H](CN(C)C(=O)[O-])C1 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AUKJHRAGKCLSDF-ZIAGYGMSSA-N -1 1 379.457 1.557 20 0 GDADMM C[C@H]1CN(Cc2ccc(CNC(=O)CC3CN(C(=O)[O-])C3)cc2)C[C@H](C)O1 ZINC000826059495 603655881 /nfs/dbraw/zinc/65/58/81/603655881.db2.gz VYJYLIPOFHUKBJ-GJZGRUSLSA-N -1 1 375.469 1.912 20 0 GDADMM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)Nc1ccc(CN2CCN(C)CC2)cc1 ZINC000826115649 603657986 /nfs/dbraw/zinc/65/79/86/603657986.db2.gz JFSRSILFGMRDOP-RHSMWYFYSA-N -1 1 390.484 1.876 20 0 GDADMM Cn1cc(C(C)(C)NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cn1 ZINC000826358844 607647582 /nfs/dbraw/zinc/64/75/82/607647582.db2.gz LABISJCKTNBAFL-UHFFFAOYSA-N -1 1 381.849 1.467 20 0 GDADMM Cn1cc(C(C)(C)NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cn1 ZINC000826358844 607647584 /nfs/dbraw/zinc/64/75/84/607647584.db2.gz LABISJCKTNBAFL-UHFFFAOYSA-N -1 1 381.849 1.467 20 0 GDADMM C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)[C@H]1CCOC1 ZINC000824640430 607648573 /nfs/dbraw/zinc/64/85/73/607648573.db2.gz IMCFQYGDCHNUBY-IUCAKERBSA-N -1 1 391.375 1.589 20 0 GDADMM Cc1c(CN2CCSCC2)cccc1NC(=O)COC1CN(C(=O)[O-])C1 ZINC000829859347 603765243 /nfs/dbraw/zinc/76/52/43/603765243.db2.gz LTPIDOIWGCRKKL-UHFFFAOYSA-N -1 1 379.482 1.861 20 0 GDADMM O=S(=O)(NCC[C@H](O)c1ccccc1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826490674 607655254 /nfs/dbraw/zinc/65/52/54/607655254.db2.gz CUOWZDBBYAPWFB-ZDUSSCGKSA-N -1 1 377.401 1.408 20 0 GDADMM O=S(=O)(NCC[C@H](O)c1ccccc1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826490674 607655256 /nfs/dbraw/zinc/65/52/56/607655256.db2.gz CUOWZDBBYAPWFB-ZDUSSCGKSA-N -1 1 377.401 1.408 20 0 GDADMM CC(C)C[C@H](CCO)CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824237532 607656863 /nfs/dbraw/zinc/65/68/63/607656863.db2.gz SWLWRKZCZNNNTB-NSHDSACASA-N -1 1 387.893 1.843 20 0 GDADMM CC(C)C[C@H](CCO)CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824237532 607656864 /nfs/dbraw/zinc/65/68/64/607656864.db2.gz SWLWRKZCZNNNTB-NSHDSACASA-N -1 1 387.893 1.843 20 0 GDADMM CNC(=O)c1ccc(S(=O)(=O)Nc2cc3c(cc2NC(=O)[O-])OCO3)cc1 ZINC000828567424 603887437 /nfs/dbraw/zinc/88/74/37/603887437.db2.gz TUXUFWCRMQQEIV-UHFFFAOYSA-N -1 1 393.377 1.666 20 0 GDADMM CN1CCN(C(=O)c2cn(C3CCN(C(=O)[O-])CC3)nn2)C2(CCCCC2)C1 ZINC000828513417 603941663 /nfs/dbraw/zinc/94/16/63/603941663.db2.gz KWZKTLIJXGRZKS-UHFFFAOYSA-N -1 1 390.488 1.684 20 0 GDADMM O=C([O-])N1CCN(c2n[nH]c(NC(=O)c3cc(-c4ccccc4)n[nH]3)n2)CC1 ZINC000831810658 603958819 /nfs/dbraw/zinc/95/88/19/603958819.db2.gz QBCFEKBERFVFCI-UHFFFAOYSA-N -1 1 382.384 1.247 20 0 GDADMM Cc1nc(CN2CCN(C(=O)[C@H]3CCCCCC[C@H]3NC(=O)[O-])CC2)n[nH]1 ZINC000830750475 603986950 /nfs/dbraw/zinc/98/69/50/603986950.db2.gz CBXMFCIFXQIWSC-LSDHHAIUSA-N -1 1 378.477 1.364 20 0 GDADMM Cc1ccsc1[C@H](CO)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826316738 607664491 /nfs/dbraw/zinc/66/44/91/607664491.db2.gz XMRWSTNNFCDNAZ-JTQLQIEISA-N -1 1 399.885 1.902 20 0 GDADMM Cc1ccsc1[C@H](CO)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826316738 607664493 /nfs/dbraw/zinc/66/44/93/607664493.db2.gz XMRWSTNNFCDNAZ-JTQLQIEISA-N -1 1 399.885 1.902 20 0 GDADMM O=S(=O)(NC[C@@H](CO)c1ccccc1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826489297 607665074 /nfs/dbraw/zinc/66/50/74/607665074.db2.gz LWMMYHYIAJWRPE-LBPRGKRZSA-N -1 1 393.856 1.575 20 0 GDADMM O=S(=O)(NC[C@@H](CO)c1ccccc1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826489297 607665077 /nfs/dbraw/zinc/66/50/77/607665077.db2.gz LWMMYHYIAJWRPE-LBPRGKRZSA-N -1 1 393.856 1.575 20 0 GDADMM CC(C)(C)c1n[nH]c([C@@H]2CN(C(=O)NC[C@H]3CCCN3C(=O)[O-])CCO2)n1 ZINC000823864963 604002336 /nfs/dbraw/zinc/00/23/36/604002336.db2.gz SEGSHFFCNZZOQK-NEPJUHHUSA-N -1 1 380.449 1.328 20 0 GDADMM CC(C)(C)c1nnc([C@@H]2CN(C(=O)NC[C@H]3CCCN3C(=O)[O-])CCO2)[nH]1 ZINC000823864963 604002339 /nfs/dbraw/zinc/00/23/39/604002339.db2.gz SEGSHFFCNZZOQK-NEPJUHHUSA-N -1 1 380.449 1.328 20 0 GDADMM CN(C[C@@H]1CCCN1C(=O)Cn1c(=O)c2ccccc2[nH]c1=S)C(=O)[O-] ZINC000828200694 604004593 /nfs/dbraw/zinc/00/45/93/604004593.db2.gz YHQUAHGUQWHYMK-NSHDSACASA-N -1 1 376.438 1.286 20 0 GDADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000827418175 604014322 /nfs/dbraw/zinc/01/43/22/604014322.db2.gz JTEFBQNJZCIRQK-AWEZNQCLSA-N -1 1 376.457 1.776 20 0 GDADMM C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc3c2CCN(C(=O)[O-])C3)CN1C1CC1 ZINC000825790996 604042372 /nfs/dbraw/zinc/04/23/72/604042372.db2.gz ZHKHPAAUBWEQLC-TZMCWYRMSA-N -1 1 386.452 1.403 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000826495141 607668224 /nfs/dbraw/zinc/66/82/24/607668224.db2.gz DPZCOAIYOIJDRM-SNVBAGLBSA-N -1 1 393.860 1.812 20 0 GDADMM CC(C)(C)c1nc([C@H]2CN(Cc3nc(C(C)(C)NC(=O)[O-])no3)CCO2)n[nH]1 ZINC000823864916 604062301 /nfs/dbraw/zinc/06/23/01/604062301.db2.gz RKDMONCTFCNFEG-SNVBAGLBSA-N -1 1 393.448 1.561 20 0 GDADMM CC(C)(C)c1nnc([C@H]2CN(Cc3nc(C(C)(C)NC(=O)[O-])no3)CCO2)[nH]1 ZINC000823864916 604062306 /nfs/dbraw/zinc/06/23/06/604062306.db2.gz RKDMONCTFCNFEG-SNVBAGLBSA-N -1 1 393.448 1.561 20 0 GDADMM CCC(CC)(CNC(=O)NCc1cccnc1N1CCN(C)CC1)NC(=O)[O-] ZINC000826532837 604072450 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Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N1CC[C@H](NC(=O)[O-])C[C@@H]1C ZINC000829821083 605363710 /nfs/dbraw/zinc/36/37/10/605363710.db2.gz MUSDQVLCZIUPDU-JQWIXIFHSA-N -1 1 386.412 1.137 20 0 GDADMM CC(C)CN1CCO[C@@H](CNC(=O)CSCC2CCN(C(=O)[O-])CC2)C1 ZINC000833795469 605410000 /nfs/dbraw/zinc/41/00/00/605410000.db2.gz FYSVIGQSXZMONJ-INIZCTEOSA-N -1 1 387.546 1.583 20 0 GDADMM Cc1cc(C[C@@H](C)NC(=O)C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])n[nH]1 ZINC000830029171 605504446 /nfs/dbraw/zinc/50/44/46/605504446.db2.gz FNNOZCXMXKGAAO-LLVKDONJSA-N -1 1 385.424 1.835 20 0 GDADMM C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)NCc1cccnc1N1CCN(C)CC1 ZINC000825824186 605517985 /nfs/dbraw/zinc/51/79/85/605517985.db2.gz QKJVKNOWWUOEBH-GOEBONIOSA-N -1 1 390.488 1.164 20 0 GDADMM O=C([O-])N1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000834024853 605559863 /nfs/dbraw/zinc/55/98/63/605559863.db2.gz AYJNTEJWBIRWIJ-LRDDRELGSA-N -1 1 389.456 1.398 20 0 GDADMM CC(C)Oc1cc(CN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C2CC2)ccn1 ZINC000824315654 607763958 /nfs/dbraw/zinc/76/39/58/607763958.db2.gz SDIRPSJMRBVQGP-UHFFFAOYSA-N -1 1 397.443 1.979 20 0 GDADMM CC(C)Oc1cc(CN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C2CC2)ccn1 ZINC000824315654 607763959 /nfs/dbraw/zinc/76/39/59/607763959.db2.gz SDIRPSJMRBVQGP-UHFFFAOYSA-N -1 1 397.443 1.979 20 0 GDADMM CCN(CCNC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO)C(=O)[O-] ZINC000827141649 605611381 /nfs/dbraw/zinc/61/13/81/605611381.db2.gz NZSWDRGMTZWCSH-IRXDYDNUSA-N -1 1 378.473 1.169 20 0 GDADMM O=C([O-])N1CCc2ccccc2[C@@H]1C(=O)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000831291212 605673334 /nfs/dbraw/zinc/67/33/34/605673334.db2.gz CSPTWTOEBISWDY-PKOBYXMFSA-N -1 1 387.480 1.977 20 0 GDADMM COc1cc(NC(C)=O)ccc1[C@H](C)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000833887960 605694898 /nfs/dbraw/zinc/69/48/98/605694898.db2.gz PEVFYXSEPLRBJJ-LBPRGKRZSA-N -1 1 378.429 1.126 20 0 GDADMM N=C(NOCc1nc(-c2ccc(F)c(F)c2)no1)[C@@H]1COCCN1C(=O)[O-] ZINC000833981623 605732862 /nfs/dbraw/zinc/73/28/62/605732862.db2.gz VDMJDRZFDDTQRT-NSHDSACASA-N -1 1 383.311 1.392 20 0 GDADMM N=C(NOCc1nnc(-c2ccccc2Cl)o1)[C@@H]1COCCN1C(=O)[O-] ZINC000833981096 605733113 /nfs/dbraw/zinc/73/31/13/605733113.db2.gz RPVVWYRYOLHXAB-NSHDSACASA-N -1 1 381.776 1.767 20 0 GDADMM Cc1nc(S(=O)(=O)NC[C@H](NC(=O)[O-])C2CC2)sc1Br ZINC000833917296 605785507 /nfs/dbraw/zinc/78/55/07/605785507.db2.gz WQGKKIZIIKSYAQ-ZETCQYMHSA-N -1 1 384.277 1.539 20 0 GDADMM CC(=O)N1CCCN([C@H]2CN(C(=O)[C@@H](NC(=O)[O-])C(C)(C)C)C[C@H]2C)CC1 ZINC000823555434 605798461 /nfs/dbraw/zinc/79/84/61/605798461.db2.gz CQZDHSFTUXPWMQ-VNQPRFMTSA-N -1 1 382.505 1.070 20 0 GDADMM C[C@@H]1C[C@@H](CNC(=O)[O-])CN1CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000833833431 605902841 /nfs/dbraw/zinc/90/28/41/605902841.db2.gz YAIZHHNEKTZPCI-NEPJUHHUSA-N -1 1 392.412 1.084 20 0 GDADMM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2CC(=O)NCCOc1ccc(F)cc1 ZINC000832234635 605938385 /nfs/dbraw/zinc/93/83/85/605938385.db2.gz FPCKTROVGVHIQH-MQVJKMGUSA-N -1 1 379.432 1.974 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(NC(=O)[O-])cc2[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000833839110 605994314 /nfs/dbraw/zinc/99/43/14/605994314.db2.gz YOLOWQSVFQZFIQ-CJNGLKHVSA-N -1 1 376.457 1.580 20 0 GDADMM O=C([O-])N[C@H](CC(F)F)C(=O)NCC1(CN2CCOCC2)CCCCC1 ZINC000834129068 606065817 /nfs/dbraw/zinc/06/58/17/606065817.db2.gz ANGQHPKTOOVSIH-CYBMUJFWSA-N -1 1 377.432 1.677 20 0 GDADMM O=C([O-])N[C@H](CC(F)F)C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000834131508 606076205 /nfs/dbraw/zinc/07/62/05/606076205.db2.gz IPUHLOMWLONXBM-KFWWJZLASA-N -1 1 385.411 1.277 20 0 GDADMM CC[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccc(Cl)s1 ZINC000820925534 606102895 /nfs/dbraw/zinc/10/28/95/606102895.db2.gz JLELZFSGJCJYIN-SSDOTTSWSA-N -1 1 381.849 1.542 20 0 GDADMM CN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c2cc(Cl)ccc21 ZINC000821628467 606144574 /nfs/dbraw/zinc/14/45/74/606144574.db2.gz JHLAGQPLLRVXBJ-UHFFFAOYSA-N -1 1 391.844 1.560 20 0 GDADMM CN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c2cc(Cl)ccc21 ZINC000821628467 606144575 /nfs/dbraw/zinc/14/45/75/606144575.db2.gz JHLAGQPLLRVXBJ-UHFFFAOYSA-N -1 1 391.844 1.560 20 0 GDADMM NC(=O)N1CCC[C@H]1C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000822873459 606152118 /nfs/dbraw/zinc/15/21/18/606152118.db2.gz BAIOOQQKEQNRJZ-ZDUSSCGKSA-N -1 1 397.464 1.755 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1 ZINC000822608691 606155642 /nfs/dbraw/zinc/15/56/42/606155642.db2.gz HHVQTEOPLXEFOF-LLVKDONJSA-N -1 1 389.464 1.006 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1 ZINC000822608691 606155643 /nfs/dbraw/zinc/15/56/43/606155643.db2.gz HHVQTEOPLXEFOF-LLVKDONJSA-N -1 1 389.464 1.006 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2)ccc1F ZINC000778659640 606162650 /nfs/dbraw/zinc/16/26/50/606162650.db2.gz FWBNSFZPOQGFQV-UHFFFAOYSA-N -1 1 377.357 1.593 20 0 GDADMM CCOc1cc2c(cc1CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)O[C@H](C)C2 ZINC000821400192 606162705 /nfs/dbraw/zinc/16/27/05/606162705.db2.gz GIAAABSLSJDYEK-SNVBAGLBSA-N -1 1 398.427 1.644 20 0 GDADMM CCOc1cc2c(cc1CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)O[C@H](C)C2 ZINC000821400192 606162707 /nfs/dbraw/zinc/16/27/07/606162707.db2.gz GIAAABSLSJDYEK-SNVBAGLBSA-N -1 1 398.427 1.644 20 0 GDADMM CSc1ccc(Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1Cl ZINC000821983461 606166828 /nfs/dbraw/zinc/16/68/28/606166828.db2.gz HXZHEYFZFLRPII-UHFFFAOYSA-N -1 1 379.833 1.383 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H](c2nccn2C)c2ccc(F)cc2)n1 ZINC000822609082 606168835 /nfs/dbraw/zinc/16/88/35/606168835.db2.gz JFYRQLJDQPITMP-CYBMUJFWSA-N -1 1 396.390 1.384 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H](c2nccn2C)c2ccc(F)cc2)n1 ZINC000822609082 606168836 /nfs/dbraw/zinc/16/88/36/606168836.db2.gz JFYRQLJDQPITMP-CYBMUJFWSA-N -1 1 396.390 1.384 20 0 GDADMM Nc1n[nH]c(CCCNC(=O)Nc2ccc3c(c2)C(=O)CCC3)c1-c1nnn[n-]1 ZINC000822907485 606173435 /nfs/dbraw/zinc/17/34/35/606173435.db2.gz OREKQVLJNFIVKT-UHFFFAOYSA-N -1 1 395.427 1.445 20 0 GDADMM Nc1n[nH]c(CCCNC(=O)Nc2ccc3c(c2)C(=O)CCC3)c1-c1nn[n-]n1 ZINC000822907485 606173437 /nfs/dbraw/zinc/17/34/37/606173437.db2.gz OREKQVLJNFIVKT-UHFFFAOYSA-N -1 1 395.427 1.445 20 0 GDADMM Cc1cccc2c(=O)n(CC(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])cnc12 ZINC000822331267 606197173 /nfs/dbraw/zinc/19/71/73/606197173.db2.gz ASMBUEMZWBKJOD-UHFFFAOYSA-N -1 1 377.364 1.229 20 0 GDADMM C[C@H](C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1)C1CC1 ZINC000819884341 606226624 /nfs/dbraw/zinc/22/66/24/606226624.db2.gz VGYYWPWAIYVHEN-NSHDSACASA-N -1 1 381.396 1.580 20 0 GDADMM C[C@H](C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1)C1CC1 ZINC000819884341 606226626 /nfs/dbraw/zinc/22/66/26/606226626.db2.gz VGYYWPWAIYVHEN-NSHDSACASA-N -1 1 381.396 1.580 20 0 GDADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1CCC(OC[C@H]2CCCO2)CC1 ZINC000823791824 606231893 /nfs/dbraw/zinc/23/18/93/606231893.db2.gz JNKLQMWMTUKBDQ-CQSZACIVSA-N -1 1 381.440 1.974 20 0 GDADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1CCC(OC[C@H]2CCCO2)CC1 ZINC000823791824 606231895 /nfs/dbraw/zinc/23/18/95/606231895.db2.gz JNKLQMWMTUKBDQ-CQSZACIVSA-N -1 1 381.440 1.974 20 0 GDADMM C[C@@H](NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1nnc2ccccn21 ZINC000820445404 606254271 /nfs/dbraw/zinc/25/42/71/606254271.db2.gz PQTPABGHRYXJNN-SECBINFHSA-N -1 1 388.388 1.088 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@H](O)COCC(C)C ZINC000822535624 606292027 /nfs/dbraw/zinc/29/20/27/606292027.db2.gz YOYDMEWDMRHBBU-ZDUSSCGKSA-N -1 1 388.428 1.322 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@H](O)COCC(C)C ZINC000822535624 606292029 /nfs/dbraw/zinc/29/20/29/606292029.db2.gz YOYDMEWDMRHBBU-ZDUSSCGKSA-N -1 1 388.428 1.322 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cccc(N2C(=O)CCC2=O)c1 ZINC000823294796 606296399 /nfs/dbraw/zinc/29/63/99/606296399.db2.gz ROPLPZGZWTVVKT-UHFFFAOYSA-N -1 1 378.348 1.478 20 0 GDADMM CS(=O)(=O)Nc1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])ccc1F ZINC000821936712 606296537 /nfs/dbraw/zinc/29/65/37/606296537.db2.gz DWQDPMCLKZBJSL-UHFFFAOYSA-N -1 1 392.372 1.335 20 0 GDADMM C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822000730 606296733 /nfs/dbraw/zinc/29/67/33/606296733.db2.gz WEBJKPFTEMCOKT-NSHDSACASA-N -1 1 382.380 1.826 20 0 GDADMM Cc1ccc(S(=O)(=O)Nc2cc(-c3nn[nH]n3)ccc2O)cc1C(=O)[O-] ZINC000822267305 606336480 /nfs/dbraw/zinc/33/64/80/606336480.db2.gz RUJVXONBFCTUIW-UHFFFAOYSA-N -1 1 375.366 1.380 20 0 GDADMM CC(C)S(=O)(=O)N1CC[C@@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC000820770147 606472954 /nfs/dbraw/zinc/47/29/54/606472954.db2.gz YYSJSQPPIBRNON-ZYHUDNBSSA-N -1 1 399.908 1.776 20 0 GDADMM CC(C)S(=O)(=O)N1CC[C@@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC000820770147 606472956 /nfs/dbraw/zinc/47/29/56/606472956.db2.gz YYSJSQPPIBRNON-ZYHUDNBSSA-N -1 1 399.908 1.776 20 0 GDADMM O=S(=O)(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823573008 606474548 /nfs/dbraw/zinc/47/45/48/606474548.db2.gz PZYUKYARFKQWBZ-VHSXEESVSA-N -1 1 390.391 1.909 20 0 GDADMM O=S(=O)(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823573008 606474550 /nfs/dbraw/zinc/47/45/50/606474550.db2.gz PZYUKYARFKQWBZ-VHSXEESVSA-N -1 1 390.391 1.909 20 0 GDADMM Cc1ccc([C@H]2CCCCN2c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1 ZINC000822233527 606476173 /nfs/dbraw/zinc/47/61/73/606476173.db2.gz QSGWOGNADSIGRU-CQSZACIVSA-N -1 1 381.440 1.304 20 0 GDADMM COC(=O)C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(OC)cc1 ZINC000821659048 606519562 /nfs/dbraw/zinc/51/95/62/606519562.db2.gz PZTNQICPPGXMKE-LBPRGKRZSA-N -1 1 387.421 1.971 20 0 GDADMM COC(=O)C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(OC)cc1 ZINC000821659048 606519564 /nfs/dbraw/zinc/51/95/64/606519564.db2.gz PZTNQICPPGXMKE-LBPRGKRZSA-N -1 1 387.421 1.971 20 0 GDADMM CCC(CC)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)N1CCOCC1 ZINC000820892824 606524077 /nfs/dbraw/zinc/52/40/77/606524077.db2.gz FTQNDEPOASKWGF-ZDUSSCGKSA-N -1 1 378.502 1.795 20 0 GDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000823289378 606532722 /nfs/dbraw/zinc/53/27/22/606532722.db2.gz ICJHCKLUTDVPLR-UHFFFAOYSA-N -1 1 381.400 1.472 20 0 GDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000823289378 606532723 /nfs/dbraw/zinc/53/27/23/606532723.db2.gz ICJHCKLUTDVPLR-UHFFFAOYSA-N -1 1 381.400 1.472 20 0 GDADMM NC(=O)C1CCN(c2ccccc2NC(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000822865132 606543264 /nfs/dbraw/zinc/54/32/64/606543264.db2.gz VZYYPXRHIVMUPX-UHFFFAOYSA-N -1 1 397.464 1.882 20 0 GDADMM NC(=O)C1CCN(c2ccccc2NC(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000822865132 606543267 /nfs/dbraw/zinc/54/32/67/606543267.db2.gz VZYYPXRHIVMUPX-UHFFFAOYSA-N -1 1 397.464 1.882 20 0 GDADMM CC(C)CCNC(=O)[C@H]1CSCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820076808 606546532 /nfs/dbraw/zinc/54/65/32/606546532.db2.gz TWDGQSLYLUUKJX-SNVBAGLBSA-N -1 1 380.499 1.606 20 0 GDADMM CC(C)CCNC(=O)[C@H]1CSCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820076808 606546534 /nfs/dbraw/zinc/54/65/34/606546534.db2.gz TWDGQSLYLUUKJX-SNVBAGLBSA-N -1 1 380.499 1.606 20 0 GDADMM CS(=O)(=O)c1ccc(OCCNC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821936431 606553463 /nfs/dbraw/zinc/55/34/63/606553463.db2.gz ACBMNBPBHQCILC-UHFFFAOYSA-N -1 1 393.450 1.141 20 0 GDADMM CS(=O)(=O)c1ccc(OCCNC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821936431 606553465 /nfs/dbraw/zinc/55/34/65/606553465.db2.gz ACBMNBPBHQCILC-UHFFFAOYSA-N -1 1 393.450 1.141 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000823483275 606554337 /nfs/dbraw/zinc/55/43/37/606554337.db2.gz GFMJUMBVRRWGLO-AWEZNQCLSA-N -1 1 384.465 1.420 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@@H]1CCO[C@@H]1C(C)C ZINC000822004633 606586270 /nfs/dbraw/zinc/58/62/70/606586270.db2.gz JXYZTOHQQPSMBK-SUMWQHHRSA-N -1 1 388.472 1.694 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC000823478583 606623849 /nfs/dbraw/zinc/62/38/49/606623849.db2.gz MNWDNEYWCIKUII-OCCSQVGLSA-N -1 1 386.437 1.288 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC000823478583 606623851 /nfs/dbraw/zinc/62/38/51/606623851.db2.gz MNWDNEYWCIKUII-OCCSQVGLSA-N -1 1 386.437 1.288 20 0 GDADMM COc1cn(-c2ccccc2)nc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821910737 606647188 /nfs/dbraw/zinc/64/71/88/606647188.db2.gz GHUHFWDRYGUEPY-UHFFFAOYSA-N -1 1 377.364 1.813 20 0 GDADMM COc1cn(-c2ccccc2)nc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821910737 606647189 /nfs/dbraw/zinc/64/71/89/606647189.db2.gz GHUHFWDRYGUEPY-UHFFFAOYSA-N -1 1 377.364 1.813 20 0 GDADMM COc1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1N1CCNC1=O ZINC000821772572 606649375 /nfs/dbraw/zinc/64/93/75/606649375.db2.gz GGVIFEILYMHFHH-UHFFFAOYSA-N -1 1 395.379 1.157 20 0 GDADMM COc1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1N1CCNC1=O ZINC000821772572 606649376 /nfs/dbraw/zinc/64/93/76/606649376.db2.gz GGVIFEILYMHFHH-UHFFFAOYSA-N -1 1 395.379 1.157 20 0 GDADMM CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000819906402 606649864 /nfs/dbraw/zinc/64/98/64/606649864.db2.gz FWYSIFXUURGKGC-ZDUSSCGKSA-N -1 1 390.469 1.643 20 0 GDADMM CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000819906402 606649865 /nfs/dbraw/zinc/64/98/65/606649865.db2.gz FWYSIFXUURGKGC-ZDUSSCGKSA-N -1 1 390.469 1.643 20 0 GDADMM CC(=O)[C@H]1CC(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)=NN1c1ccccc1 ZINC000819782557 606650893 /nfs/dbraw/zinc/65/08/93/606650893.db2.gz NIEFOCYRLCAYKO-QGZVFWFLSA-N -1 1 391.391 1.529 20 0 GDADMM CC(=O)[C@H]1CC(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)=NN1c1ccccc1 ZINC000819782557 606650894 /nfs/dbraw/zinc/65/08/94/606650894.db2.gz NIEFOCYRLCAYKO-QGZVFWFLSA-N -1 1 391.391 1.529 20 0 GDADMM C[C@@H]1C[C@H](C)CN(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2-c2nn[nH]n2)C1 ZINC000820649650 606707433 /nfs/dbraw/zinc/70/74/33/606707433.db2.gz NNWWPRUZJHGMSZ-PHIMTYICSA-N -1 1 382.494 1.453 20 0 GDADMM COc1ccc(N(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1OC ZINC000821827825 606763377 /nfs/dbraw/zinc/76/33/77/606763377.db2.gz KGKYULCVNQIXIT-UHFFFAOYSA-N -1 1 393.400 1.848 20 0 GDADMM Cc1c(I)cccc1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000822035327 606764825 /nfs/dbraw/zinc/76/48/25/606764825.db2.gz SRYCVRGAAZPGKL-UHFFFAOYSA-N -1 1 395.164 1.247 20 0 GDADMM Cc1ccc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)s1 ZINC000822248911 606768728 /nfs/dbraw/zinc/76/87/28/606768728.db2.gz TWQDWWMWWVJYSM-SNVBAGLBSA-N -1 1 385.457 1.769 20 0 GDADMM Cc1ccc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)s1 ZINC000822248911 606768729 /nfs/dbraw/zinc/76/87/29/606768729.db2.gz TWQDWWMWWVJYSM-SNVBAGLBSA-N -1 1 385.457 1.769 20 0 GDADMM CC(C)CCc1noc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)n1 ZINC000820081285 606781498 /nfs/dbraw/zinc/78/14/98/606781498.db2.gz ALOZNLRJIADEEG-CYBMUJFWSA-N -1 1 398.475 1.339 20 0 GDADMM CC(C)CCc1noc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)n1 ZINC000820081285 606781500 /nfs/dbraw/zinc/78/15/00/606781500.db2.gz ALOZNLRJIADEEG-CYBMUJFWSA-N -1 1 398.475 1.339 20 0 GDADMM CCCc1ncc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)s1 ZINC000821142731 606818249 /nfs/dbraw/zinc/81/82/49/606818249.db2.gz NCTKVAIPLODGKG-LLVKDONJSA-N -1 1 399.484 1.417 20 0 GDADMM CCCc1ncc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)s1 ZINC000821142731 606818252 /nfs/dbraw/zinc/81/82/52/606818252.db2.gz NCTKVAIPLODGKG-LLVKDONJSA-N -1 1 399.484 1.417 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@]1(CCO)CCOC1 ZINC000822535241 606819150 /nfs/dbraw/zinc/81/91/50/606819150.db2.gz KRYMWFHFOFQXGT-SFHVURJKSA-N -1 1 386.412 1.078 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@]1(CCO)CCOC1 ZINC000822535241 606819152 /nfs/dbraw/zinc/81/91/52/606819152.db2.gz KRYMWFHFOFQXGT-SFHVURJKSA-N -1 1 386.412 1.078 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc(Cl)ccn1 ZINC000820788778 606819987 /nfs/dbraw/zinc/81/99/87/606819987.db2.gz NYCINWUXIILBKO-SNVBAGLBSA-N -1 1 385.819 1.056 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc(Cl)ccn1 ZINC000820788778 606819988 /nfs/dbraw/zinc/81/99/88/606819988.db2.gz NYCINWUXIILBKO-SNVBAGLBSA-N -1 1 385.819 1.056 20 0 GDADMM Cc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cc1Cl ZINC000822226584 606820924 /nfs/dbraw/zinc/82/09/24/606820924.db2.gz ZEZUHYVPRKLCKG-LBPRGKRZSA-N -1 1 398.858 1.969 20 0 GDADMM Cc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cc1Cl ZINC000822226584 606820926 /nfs/dbraw/zinc/82/09/26/606820926.db2.gz ZEZUHYVPRKLCKG-LBPRGKRZSA-N -1 1 398.858 1.969 20 0 GDADMM C[C@@H](CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1ccccc1 ZINC000820220261 606821210 /nfs/dbraw/zinc/82/12/10/606821210.db2.gz PVLRLJJXSNNIER-LSDHHAIUSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@@H](CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1ccccc1 ZINC000820220261 606821212 /nfs/dbraw/zinc/82/12/12/606821212.db2.gz PVLRLJJXSNNIER-LSDHHAIUSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccnc(Cl)c1 ZINC000820788540 606824876 /nfs/dbraw/zinc/82/48/76/606824876.db2.gz JLILTHDNAITNIK-SNVBAGLBSA-N -1 1 385.819 1.056 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccnc(Cl)c1 ZINC000820788540 606824877 /nfs/dbraw/zinc/82/48/77/606824877.db2.gz JLILTHDNAITNIK-SNVBAGLBSA-N -1 1 385.819 1.056 20 0 GDADMM CCCCC[C@@H](O)CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821050802 606830561 /nfs/dbraw/zinc/83/05/61/606830561.db2.gz UNQJGCJMPXFEMJ-UONOGXRCSA-N -1 1 388.476 1.025 20 0 GDADMM CCCCC[C@@H](O)CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821050802 606830562 /nfs/dbraw/zinc/83/05/62/606830562.db2.gz UNQJGCJMPXFEMJ-UONOGXRCSA-N -1 1 388.476 1.025 20 0 GDADMM CC(C)c1cc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)no1 ZINC000820187692 606835694 /nfs/dbraw/zinc/83/56/94/606835694.db2.gz NEYRQHYQEBTHIN-LLVKDONJSA-N -1 1 398.431 1.511 20 0 GDADMM CC(C)c1cc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)no1 ZINC000820187692 606835695 /nfs/dbraw/zinc/83/56/95/606835695.db2.gz NEYRQHYQEBTHIN-LLVKDONJSA-N -1 1 398.431 1.511 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C(C)(C)c1ccccc1 ZINC000820774320 606854870 /nfs/dbraw/zinc/85/48/70/606854870.db2.gz ANBJPJDOGUHTRP-CQSZACIVSA-N -1 1 392.467 1.672 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C(C)(C)c1ccccc1 ZINC000820774320 606854871 /nfs/dbraw/zinc/85/48/71/606854871.db2.gz ANBJPJDOGUHTRP-CQSZACIVSA-N -1 1 392.467 1.672 20 0 GDADMM COc1ccccc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821883584 606855935 /nfs/dbraw/zinc/85/59/35/606855935.db2.gz XUKFKNARRJXVRU-LBPRGKRZSA-N -1 1 380.412 1.016 20 0 GDADMM COc1ccccc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821883584 606855937 /nfs/dbraw/zinc/85/59/37/606855937.db2.gz XUKFKNARRJXVRU-LBPRGKRZSA-N -1 1 380.412 1.016 20 0 GDADMM COC(=O)[C@H]1CCCCCC[C@H]1NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821655403 606907736 /nfs/dbraw/zinc/90/77/36/606907736.db2.gz KJOMNCLKPYRQPS-CMPLNLGQSA-N -1 1 376.421 1.234 20 0 GDADMM COC(=O)[C@H]1CCCCCC[C@H]1NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821655403 606907737 /nfs/dbraw/zinc/90/77/37/606907737.db2.gz KJOMNCLKPYRQPS-CMPLNLGQSA-N -1 1 376.421 1.234 20 0 GDADMM C[C@@H]1CC[C@@H](C(=O)OCC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)O1 ZINC000820678802 606952271 /nfs/dbraw/zinc/95/22/71/606952271.db2.gz YNNPBQPQIYSHHZ-RISCZKNCSA-N -1 1 397.395 1.102 20 0 GDADMM C[C@@H]1CC[C@@H](C(=O)OCC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)O1 ZINC000820678802 606952272 /nfs/dbraw/zinc/95/22/72/606952272.db2.gz YNNPBQPQIYSHHZ-RISCZKNCSA-N -1 1 397.395 1.102 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CC(OCCCOc3ccccc3)C2)n1 ZINC000822605097 606956056 /nfs/dbraw/zinc/95/60/56/606956056.db2.gz YMOAYJQFCGHKDM-UHFFFAOYSA-N -1 1 398.427 1.302 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CC(OCCCOc3ccccc3)C2)n1 ZINC000822605097 606956058 /nfs/dbraw/zinc/95/60/58/606956058.db2.gz YMOAYJQFCGHKDM-UHFFFAOYSA-N -1 1 398.427 1.302 20 0 GDADMM C[C@@H](C[C@H](O)c1ccc(F)cc1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820235671 607006320 /nfs/dbraw/zinc/00/63/20/607006320.db2.gz UCIPOZJYJNNDHS-BONVTDFDSA-N -1 1 392.416 1.191 20 0 GDADMM C[C@@H](C[C@H](O)c1ccc(F)cc1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820235671 607006322 /nfs/dbraw/zinc/00/63/22/607006322.db2.gz UCIPOZJYJNNDHS-BONVTDFDSA-N -1 1 392.416 1.191 20 0 GDADMM Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)n1ncc(-c3nn[n-]n3)c1N)CC2 ZINC000822459560 607018560 /nfs/dbraw/zinc/01/85/60/607018560.db2.gz SDMOEMWGWFAKBY-ZETCQYMHSA-N -1 1 393.333 1.208 20 0 GDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000823379663 607103690 /nfs/dbraw/zinc/10/36/90/607103690.db2.gz CSKIPKJUJTZZFU-ZETCQYMHSA-N -1 1 391.363 1.593 20 0 GDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000823379663 607103692 /nfs/dbraw/zinc/10/36/92/607103692.db2.gz CSKIPKJUJTZZFU-ZETCQYMHSA-N -1 1 391.363 1.593 20 0 GDADMM COc1ccc(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)c(C)n1 ZINC000821831767 607132613 /nfs/dbraw/zinc/13/26/13/607132613.db2.gz LUYFURARCPHQKA-UHFFFAOYSA-N -1 1 383.412 1.867 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCCc2c(F)ccc(F)c21 ZINC000823600567 607156207 /nfs/dbraw/zinc/15/62/07/607156207.db2.gz INYUXAZXNUUVBS-UHFFFAOYSA-N -1 1 378.364 1.681 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCCc2c(F)ccc(F)c21 ZINC000823600567 607156208 /nfs/dbraw/zinc/15/62/08/607156208.db2.gz INYUXAZXNUUVBS-UHFFFAOYSA-N -1 1 378.364 1.681 20 0 GDADMM COc1ccc(CNC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)c(C)c1 ZINC000821798801 607159820 /nfs/dbraw/zinc/15/98/20/607159820.db2.gz OFALLTXYGPCZEF-UHFFFAOYSA-N -1 1 386.437 1.936 20 0 GDADMM COC(=O)c1cncc(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)c1 ZINC000821671190 607187666 /nfs/dbraw/zinc/18/76/66/607187666.db2.gz LTUYOIPTZUUFDB-UHFFFAOYSA-N -1 1 397.395 1.337 20 0 GDADMM O=C(Nc1ccccc1O)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000823373114 607206416 /nfs/dbraw/zinc/20/64/16/607206416.db2.gz QSFQGLZRDJAKFP-UHFFFAOYSA-N -1 1 393.407 1.458 20 0 GDADMM O=C(Nc1ccccc1O)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000823373114 607206417 /nfs/dbraw/zinc/20/64/17/607206417.db2.gz QSFQGLZRDJAKFP-UHFFFAOYSA-N -1 1 393.407 1.458 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc2[nH]c(-c3ccco3)nc2c1 ZINC000823135924 607209367 /nfs/dbraw/zinc/20/93/67/607209367.db2.gz AGUJVCLEYVYPEG-UHFFFAOYSA-N -1 1 376.340 1.233 20 0 GDADMM CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821563877 607212524 /nfs/dbraw/zinc/21/25/24/607212524.db2.gz JUVOKIGXYFPETR-AWEZNQCLSA-N -1 1 392.427 1.192 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccccc1OCc1cscn1 ZINC000823136115 607213127 /nfs/dbraw/zinc/21/31/27/607213127.db2.gz KPBFTBOFFSUEOP-UHFFFAOYSA-N -1 1 383.397 1.132 20 0 GDADMM Cc1cccc(CN(Cc2ccccn2)C(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000822304479 607214828 /nfs/dbraw/zinc/21/48/28/607214828.db2.gz YLOIJMMZSJHWEH-UHFFFAOYSA-N -1 1 389.423 1.391 20 0 GDADMM CC(C)(C)Cc1nc2cc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)ccc2o1 ZINC000819914142 607215597 /nfs/dbraw/zinc/21/55/97/607215597.db2.gz NAYFXYDEPWUEFE-UHFFFAOYSA-N -1 1 381.400 1.827 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(F)cc1OCC(F)(F)F ZINC000823136285 607217273 /nfs/dbraw/zinc/21/72/73/607217273.db2.gz SWGXXXKJWUQHGC-UHFFFAOYSA-N -1 1 386.269 1.177 20 0 GDADMM Cc1ccc(C[C@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c2ccccn2)cc1 ZINC000822234604 607217396 /nfs/dbraw/zinc/21/73/96/607217396.db2.gz BACSAKAUIXEHKW-INIZCTEOSA-N -1 1 389.423 1.262 20 0 GDADMM Cc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1OCC1CCOCC1 ZINC000822248673 607219159 /nfs/dbraw/zinc/21/91/59/607219159.db2.gz IBPKWEVRUUVQSP-UHFFFAOYSA-N -1 1 398.427 1.211 20 0 GDADMM Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)Cn3cnc(-c4nn[n-]n4)n3)cc2)n1 ZINC000822197964 607219599 /nfs/dbraw/zinc/21/95/99/607219599.db2.gz WOCOOTDJIJVDDQ-ZDUSSCGKSA-N -1 1 392.427 1.138 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)Nc1cnc(N(C)C)nc1 ZINC000826340637 607775284 /nfs/dbraw/zinc/77/52/84/607775284.db2.gz FUDXYPYSUVSARF-UHFFFAOYSA-N -1 1 379.384 1.667 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Nc1cnc(N(C)C)nc1 ZINC000826340637 607775285 /nfs/dbraw/zinc/77/52/85/607775285.db2.gz FUDXYPYSUVSARF-UHFFFAOYSA-N -1 1 379.384 1.667 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000824795571 607804569 /nfs/dbraw/zinc/80/45/69/607804569.db2.gz ADKWNTDONXCIAL-LLVKDONJSA-N -1 1 383.412 1.809 20 0 GDADMM CN1C(=O)CCc2cc(C(=O)COC(=O)c3ccc(-c4nnn[n-]4)s3)ccc21 ZINC000826010866 607804978 /nfs/dbraw/zinc/80/49/78/607804978.db2.gz QAMZNKUDJYVRIQ-UHFFFAOYSA-N -1 1 397.416 1.877 20 0 GDADMM CN1C(=O)CCc2cc(C(=O)COC(=O)c3ccc(-c4nn[n-]n4)s3)ccc21 ZINC000826010866 607804979 /nfs/dbraw/zinc/80/49/79/607804979.db2.gz QAMZNKUDJYVRIQ-UHFFFAOYSA-N -1 1 397.416 1.877 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCC(C)(C)[C@H](O)C(C)C ZINC000826233163 607824265 /nfs/dbraw/zinc/82/42/65/607824265.db2.gz WHGPOMYLOITICU-MRXNPFEDSA-N -1 1 390.488 1.676 20 0 GDADMM CCCN(CCNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC000825313509 607834848 /nfs/dbraw/zinc/83/48/48/607834848.db2.gz IBEDOFMWSXUPNO-UHFFFAOYSA-N -1 1 393.452 1.369 20 0 GDADMM CCCN(CCNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC000825313509 607834849 /nfs/dbraw/zinc/83/48/49/607834849.db2.gz IBEDOFMWSXUPNO-UHFFFAOYSA-N -1 1 393.452 1.369 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)c1ccc2c(c1)CC(=O)N2C ZINC000824724211 607856324 /nfs/dbraw/zinc/85/63/24/607856324.db2.gz ZPIVZXFBJOBDRN-VIFPVBQESA-N -1 1 397.416 1.875 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)c1ccc2c(c1)CC(=O)N2C ZINC000824724211 607856325 /nfs/dbraw/zinc/85/63/25/607856325.db2.gz ZPIVZXFBJOBDRN-VIFPVBQESA-N -1 1 397.416 1.875 20 0 GDADMM CO[C@@H]1CC[C@@H]2OCCN(CC(=O)Nc3oc(C)c(C)c3-c3nn[n-]n3)[C@H]2C1 ZINC000826146534 607859107 /nfs/dbraw/zinc/85/91/07/607859107.db2.gz XKAFPMJTQAXFQS-RDBSUJKOSA-N -1 1 390.444 1.283 20 0 GDADMM CCOC(=O)N1CCC(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000825517833 607867517 /nfs/dbraw/zinc/86/75/17/607867517.db2.gz OCZFUXSMUQHXJO-UHFFFAOYSA-N -1 1 399.404 1.335 20 0 GDADMM CCOC(=O)N1CCC(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000825517833 607867518 /nfs/dbraw/zinc/86/75/18/607867518.db2.gz OCZFUXSMUQHXJO-UHFFFAOYSA-N -1 1 399.404 1.335 20 0 GDADMM CCN(CC)S(=O)(=O)c1ccc(Sc2cccc(-c3nnn[n-]3)n2)nc1 ZINC000825416929 607895579 /nfs/dbraw/zinc/89/55/79/607895579.db2.gz NKPLQDOMHOARBO-UHFFFAOYSA-N -1 1 391.482 1.838 20 0 GDADMM CCN(CC)S(=O)(=O)c1ccc(Sc2cccc(-c3nn[n-]n3)n2)nc1 ZINC000825416929 607895580 /nfs/dbraw/zinc/89/55/80/607895580.db2.gz NKPLQDOMHOARBO-UHFFFAOYSA-N -1 1 391.482 1.838 20 0 GDADMM COC(=O)CN1CCN(c2ccc(Nc3cccc(-c4nnn[n-]4)n3)cc2)CC1 ZINC000826138548 607898954 /nfs/dbraw/zinc/89/89/54/607898954.db2.gz ZDHWXUIZFYWDLW-UHFFFAOYSA-N -1 1 394.439 1.300 20 0 GDADMM COC(=O)CN1CCN(c2ccc(Nc3cccc(-c4nn[n-]n4)n3)cc2)CC1 ZINC000826138548 607898955 /nfs/dbraw/zinc/89/89/55/607898955.db2.gz ZDHWXUIZFYWDLW-UHFFFAOYSA-N -1 1 394.439 1.300 20 0 GDADMM Cc1ccnc(COC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)n1 ZINC000826308818 607914497 /nfs/dbraw/zinc/91/44/97/607914497.db2.gz RERUIVFAIBWBOO-UHFFFAOYSA-N -1 1 393.411 1.301 20 0 GDADMM Cc1ccnc(COC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)n1 ZINC000826308818 607914498 /nfs/dbraw/zinc/91/44/98/607914498.db2.gz RERUIVFAIBWBOO-UHFFFAOYSA-N -1 1 393.411 1.301 20 0 GDADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(-n2ccnn2)cc1 ZINC000824506107 607919485 /nfs/dbraw/zinc/91/94/85/607919485.db2.gz LIHQVLYYERWWNU-JTQLQIEISA-N -1 1 379.388 1.064 20 0 GDADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(-n2ccnn2)cc1 ZINC000824506107 607919486 /nfs/dbraw/zinc/91/94/86/607919486.db2.gz LIHQVLYYERWWNU-JTQLQIEISA-N -1 1 379.388 1.064 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C(C)(C)C1CCCC1 ZINC000825000146 607962892 /nfs/dbraw/zinc/96/28/92/607962892.db2.gz MZJDOOCKNDWTMY-ZDUSSCGKSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C(C)(C)C1CCCC1 ZINC000825000146 607962893 /nfs/dbraw/zinc/96/28/93/607962893.db2.gz MZJDOOCKNDWTMY-ZDUSSCGKSA-N -1 1 384.488 1.910 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(Oc2cc(Cl)c(C=O)cc2Cl)n(C)c1=O ZINC000826355938 607967688 /nfs/dbraw/zinc/96/76/88/607967688.db2.gz UIFCMRVJXBEXLM-UHFFFAOYSA-N -1 1 397.178 1.176 20 0 GDADMM C[C@](O)(CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000824670167 607973199 /nfs/dbraw/zinc/97/31/99/607973199.db2.gz LKRVCFVQMVDMEU-INIZCTEOSA-N -1 1 395.391 1.331 20 0 GDADMM C[C@](O)(CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000824670167 607973200 /nfs/dbraw/zinc/97/32/00/607973200.db2.gz LKRVCFVQMVDMEU-INIZCTEOSA-N -1 1 395.391 1.331 20 0 GDADMM O=C(CCn1[nH]c(=O)c2ccccc2c1=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826409668 607996903 /nfs/dbraw/zinc/99/69/03/607996903.db2.gz JYTGKCJAVFAAGJ-UHFFFAOYSA-N -1 1 393.363 1.017 20 0 GDADMM CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825076166 607997725 /nfs/dbraw/zinc/99/77/25/607997725.db2.gz UEVRAWSGLZNZOZ-NHYWBVRUSA-N -1 1 387.444 1.731 20 0 GDADMM O=C(Cc1ccccc1)N1CCC[C@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826450849 607998314 /nfs/dbraw/zinc/99/83/14/607998314.db2.gz GNVZWFFLPSUZIO-INIZCTEOSA-N -1 1 392.419 1.745 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)N[C@H]2CC(C)(C)OC2=O)c1-c1nn[n-]n1 ZINC000826231555 608075507 /nfs/dbraw/zinc/07/55/07/608075507.db2.gz PQDOZAHTUYACNB-NSHDSACASA-N -1 1 388.453 1.685 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000826472764 608075791 /nfs/dbraw/zinc/07/57/91/608075791.db2.gz WOWJZLURSLPEJP-UHFFFAOYSA-N -1 1 389.423 1.096 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000826472764 608075792 /nfs/dbraw/zinc/07/57/92/608075792.db2.gz WOWJZLURSLPEJP-UHFFFAOYSA-N -1 1 389.423 1.096 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CCCOc2cccc3ccccc32)c1=O ZINC000826356334 608095886 /nfs/dbraw/zinc/09/58/86/608095886.db2.gz LWXGPHOFFRVYLC-UHFFFAOYSA-N -1 1 378.392 1.349 20 0 GDADMM O=C(N[C@@H](CO)c1ccc(Br)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826426685 608184871 /nfs/dbraw/zinc/18/48/71/608184871.db2.gz UFDICKDZBKQVNZ-ZDUSSCGKSA-N -1 1 389.213 1.488 20 0 GDADMM O=C(N[C@@H](CO)c1ccc(Br)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826426685 608184872 /nfs/dbraw/zinc/18/48/72/608184872.db2.gz UFDICKDZBKQVNZ-ZDUSSCGKSA-N -1 1 389.213 1.488 20 0 GDADMM CC(C)COc1ncccc1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824270866 608211063 /nfs/dbraw/zinc/21/10/63/608211063.db2.gz IURLORJHDBSOAO-UHFFFAOYSA-N -1 1 399.459 1.307 20 0 GDADMM CC(C)COc1ncccc1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824270866 608211064 /nfs/dbraw/zinc/21/10/64/608211064.db2.gz IURLORJHDBSOAO-UHFFFAOYSA-N -1 1 399.459 1.307 20 0 GDADMM Cc1cc2[nH]c(C(=O)N(C)CCCc3[nH]nc(N)c3-c3nnn[n-]3)cc2c(C)c1 ZINC000826263476 608212043 /nfs/dbraw/zinc/21/20/43/608212043.db2.gz CQHFOSXNEBLYMK-UHFFFAOYSA-N -1 1 393.455 1.975 20 0 GDADMM Cc1cc2[nH]c(C(=O)N(C)CCCc3[nH]nc(N)c3-c3nn[n-]n3)cc2c(C)c1 ZINC000826263476 608212045 /nfs/dbraw/zinc/21/20/45/608212045.db2.gz CQHFOSXNEBLYMK-UHFFFAOYSA-N -1 1 393.455 1.975 20 0 GDADMM Cc1[nH]c2c(cccc2C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1C ZINC000826232886 608212280 /nfs/dbraw/zinc/21/22/80/608212280.db2.gz MFOUFRJSIGCXMM-UHFFFAOYSA-N -1 1 393.455 1.975 20 0 GDADMM Cc1[nH]c2c(cccc2C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1C ZINC000826232886 608212281 /nfs/dbraw/zinc/21/22/81/608212281.db2.gz MFOUFRJSIGCXMM-UHFFFAOYSA-N -1 1 393.455 1.975 20 0 GDADMM CN1CCO[C@H]([C@@H](Nc2nccnc2-c2nnn[n-]2)c2ccc(Cl)cc2)C1 ZINC000826044722 608235158 /nfs/dbraw/zinc/23/51/58/608235158.db2.gz JQAPHWXTFFBWSR-KBPBESRZSA-N -1 1 386.847 1.794 20 0 GDADMM CN1CCO[C@H]([C@@H](Nc2nccnc2-c2nn[n-]n2)c2ccc(Cl)cc2)C1 ZINC000826044722 608235161 /nfs/dbraw/zinc/23/51/61/608235161.db2.gz JQAPHWXTFFBWSR-KBPBESRZSA-N -1 1 386.847 1.794 20 0 GDADMM FC(F)(F)c1ccc(O[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)nc1 ZINC000826368878 608243601 /nfs/dbraw/zinc/24/36/01/608243601.db2.gz DPTPESDESFBWAL-SNVBAGLBSA-N -1 1 378.318 1.728 20 0 GDADMM FC(F)(F)c1ccc(O[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)nc1 ZINC000826368878 608243603 /nfs/dbraw/zinc/24/36/03/608243603.db2.gz DPTPESDESFBWAL-SNVBAGLBSA-N -1 1 378.318 1.728 20 0 GDADMM CCOCCN(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825594968 608249485 /nfs/dbraw/zinc/24/94/85/608249485.db2.gz SCJDABPYGTWFHC-UHFFFAOYSA-N -1 1 379.364 1.543 20 0 GDADMM C[C@H](C(N)=O)N(C)C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000824051824 608270025 /nfs/dbraw/zinc/27/00/25/608270025.db2.gz FZNQPZLDRSZFLP-SNVBAGLBSA-N -1 1 385.453 1.610 20 0 GDADMM CCc1nnc2n1CCN(Cc1c(-c3nn[n-]n3)c(C)nn1-c1ccccc1)C2 ZINC000825771251 608311656 /nfs/dbraw/zinc/31/16/56/608311656.db2.gz JBINBHWXTLWXNF-UHFFFAOYSA-N -1 1 390.455 1.531 20 0 GDADMM Cc1nn(-c2ccccc2)c(CN2CCN(C3CC3)C(=O)C2)c1-c1nn[n-]n1 ZINC000826332164 608315049 /nfs/dbraw/zinc/31/50/49/608315049.db2.gz LNGKXLNGIPBTPL-UHFFFAOYSA-N -1 1 378.440 1.167 20 0 GDADMM C[C@@H]1CCCC[C@H]1N(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824938836 608341144 /nfs/dbraw/zinc/34/11/44/608341144.db2.gz WHHGHFLQDKHYSS-DGCLKSJQSA-N -1 1 388.476 1.794 20 0 GDADMM C[C@@H]1CCCC[C@H]1N(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824938836 608341146 /nfs/dbraw/zinc/34/11/46/608341146.db2.gz WHHGHFLQDKHYSS-DGCLKSJQSA-N -1 1 388.476 1.794 20 0 GDADMM O=S(=O)(N[C@H](CO)Cc1ccc(F)cc1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826487507 608345124 /nfs/dbraw/zinc/34/51/24/608345124.db2.gz QHGVQTWFQCJDKQ-ZDUSSCGKSA-N -1 1 395.391 1.027 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CC[C@@H](C)[C@@H](C)C1 ZINC000826327376 608384039 /nfs/dbraw/zinc/38/40/39/608384039.db2.gz FOQGGKIJDFDYOQ-NEPJUHHUSA-N -1 1 382.472 1.963 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CC[C@@H](C)[C@@H](C)C1 ZINC000826327376 608384041 /nfs/dbraw/zinc/38/40/41/608384041.db2.gz FOQGGKIJDFDYOQ-NEPJUHHUSA-N -1 1 382.472 1.963 20 0 GDADMM O[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)COc1ccccc1Br ZINC000826503181 608433488 /nfs/dbraw/zinc/43/34/88/608433488.db2.gz SGPHESRDCZJUEV-VIFPVBQESA-N -1 1 392.217 1.271 20 0 GDADMM O[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)COc1ccccc1Br ZINC000826503181 608433490 /nfs/dbraw/zinc/43/34/90/608433490.db2.gz SGPHESRDCZJUEV-VIFPVBQESA-N -1 1 392.217 1.271 20 0 GDADMM FC(F)Oc1cccc([C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CCO2)c1 ZINC000826370460 608439554 /nfs/dbraw/zinc/43/95/54/608439554.db2.gz UIDONOVPVKAKGC-ZDUSSCGKSA-N -1 1 375.339 1.836 20 0 GDADMM FC(F)Oc1cccc([C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CCO2)c1 ZINC000826370460 608439555 /nfs/dbraw/zinc/43/95/55/608439555.db2.gz UIDONOVPVKAKGC-ZDUSSCGKSA-N -1 1 375.339 1.836 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cc(C2CCCCC2)n[nH]1 ZINC000825933296 608556673 /nfs/dbraw/zinc/55/66/73/608556673.db2.gz AYAMRQMVVSMXPP-UHFFFAOYSA-N -1 1 398.475 1.648 20 0 GDADMM C[C@H](Cc1ccc(F)cc1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824457393 608558465 /nfs/dbraw/zinc/55/84/65/608558465.db2.gz KZBKIBUSZJUMGG-LLVKDONJSA-N -1 1 386.435 1.581 20 0 GDADMM C[C@H](Cc1ccc(F)cc1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824457393 608558466 /nfs/dbraw/zinc/55/84/66/608558466.db2.gz KZBKIBUSZJUMGG-LLVKDONJSA-N -1 1 386.435 1.581 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CCSc1ccccn1 ZINC000825923466 608559315 /nfs/dbraw/zinc/55/93/15/608559315.db2.gz IYSBLUCLNBGUCJ-UHFFFAOYSA-N -1 1 387.473 1.140 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CCSc1ccccn1 ZINC000825923466 608559317 /nfs/dbraw/zinc/55/93/17/608559317.db2.gz IYSBLUCLNBGUCJ-UHFFFAOYSA-N -1 1 387.473 1.140 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C(F)(F)c1ccc(F)cc1 ZINC000825923621 608559427 /nfs/dbraw/zinc/55/94/27/608559427.db2.gz PAQGFNUJHLDNBG-UHFFFAOYSA-N -1 1 394.361 1.494 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C(F)(F)c1ccc(F)cc1 ZINC000825923621 608559429 /nfs/dbraw/zinc/55/94/29/608559429.db2.gz PAQGFNUJHLDNBG-UHFFFAOYSA-N -1 1 394.361 1.494 20 0 GDADMM COc1cc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)ccc1Cl ZINC000826177116 608561130 /nfs/dbraw/zinc/56/11/30/608561130.db2.gz SASCAKHGYVFVKX-UHFFFAOYSA-N -1 1 390.835 1.539 20 0 GDADMM COc1cc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)ccc1Cl ZINC000826177116 608561133 /nfs/dbraw/zinc/56/11/33/608561133.db2.gz SASCAKHGYVFVKX-UHFFFAOYSA-N -1 1 390.835 1.539 20 0 GDADMM OCCN(Cc1cnn(Cc2ccccc2)c1)Cc1ccc(-c2nnn[n-]2)o1 ZINC000826509606 608698913 /nfs/dbraw/zinc/69/89/13/608698913.db2.gz AJVOCHBYWXEIAC-UHFFFAOYSA-N -1 1 379.424 1.699 20 0 GDADMM OCCN(Cc1cnn(Cc2ccccc2)c1)Cc1ccc(-c2nn[n-]n2)o1 ZINC000826509606 608698916 /nfs/dbraw/zinc/69/89/16/608698916.db2.gz AJVOCHBYWXEIAC-UHFFFAOYSA-N -1 1 379.424 1.699 20 0 GDADMM O=C1[C@@H](N2CCN(Cc3ccc(-c4nnn[n-]4)o3)CC2)CCN1c1ccccc1 ZINC000826476220 608699745 /nfs/dbraw/zinc/69/97/45/608699745.db2.gz CWHKSZQLDWCYBB-KRWDZBQOSA-N -1 1 393.451 1.383 20 0 GDADMM O=C1[C@@H](N2CCN(Cc3ccc(-c4nn[n-]n4)o3)CC2)CCN1c1ccccc1 ZINC000826476220 608699748 /nfs/dbraw/zinc/69/97/48/608699748.db2.gz CWHKSZQLDWCYBB-KRWDZBQOSA-N -1 1 393.451 1.383 20 0 GDADMM Cc1nc(S[C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)[n-]c(=O)c1C ZINC000826327662 609180604 /nfs/dbraw/zinc/18/06/04/609180604.db2.gz PNTOWNHJIYVRNO-CYBMUJFWSA-N -1 1 383.437 1.877 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@H]1C1CCOCC1 ZINC000826495166 609183163 /nfs/dbraw/zinc/18/31/63/609183163.db2.gz FKJXDDSFPSMVTI-AWEZNQCLSA-N -1 1 381.433 1.586 20 0 GDADMM CC(Cl)(Cl)C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000824463655 609254029 /nfs/dbraw/zinc/25/40/29/609254029.db2.gz ABYRPOIUXMOLMW-UHFFFAOYSA-N -1 1 386.243 1.575 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000826425305 609267315 /nfs/dbraw/zinc/26/73/15/609267315.db2.gz XOOYZNXBWDYPQY-JTQLQIEISA-N -1 1 388.260 1.156 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@H]2COC3(CCCCCC3)O2)n1 ZINC000826356897 609272665 /nfs/dbraw/zinc/27/26/65/609272665.db2.gz KCMASDULSIOXIO-NSHDSACASA-N -1 1 376.421 1.188 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@H]2COC3(CCCCCC3)O2)n1 ZINC000826356897 609272666 /nfs/dbraw/zinc/27/26/66/609272666.db2.gz KCMASDULSIOXIO-NSHDSACASA-N -1 1 376.421 1.188 20 0 GDADMM COc1ncc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cn1 ZINC000826221677 609287649 /nfs/dbraw/zinc/28/76/49/609287649.db2.gz PSBWMHHZCBCNHM-UHFFFAOYSA-N -1 1 381.331 1.242 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000826458389 609291737 /nfs/dbraw/zinc/29/17/37/609291737.db2.gz NPGQHUWKSJUTCB-SNVBAGLBSA-N -1 1 396.386 1.141 20 0 GDADMM C[C@@H]1CCC[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)[C@@H]1C ZINC000824927268 609298493 /nfs/dbraw/zinc/29/84/93/609298493.db2.gz NKBMLSQJUOLBIV-IJLUTSLNSA-N -1 1 375.481 1.571 20 0 GDADMM C[C@@H]1CCC[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)[C@@H]1C ZINC000824927268 609298494 /nfs/dbraw/zinc/29/84/94/609298494.db2.gz NKBMLSQJUOLBIV-IJLUTSLNSA-N -1 1 375.481 1.571 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000825930325 609299031 /nfs/dbraw/zinc/29/90/31/609299031.db2.gz SMMLLYSGDFLOIW-LBPRGKRZSA-N -1 1 397.443 1.270 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000825930325 609299033 /nfs/dbraw/zinc/29/90/33/609299033.db2.gz SMMLLYSGDFLOIW-LBPRGKRZSA-N -1 1 397.443 1.270 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCc1ccc(Cl)o1 ZINC000825930328 609299284 /nfs/dbraw/zinc/29/92/84/609299284.db2.gz SQJWLTVKNJVJSZ-UHFFFAOYSA-N -1 1 379.812 1.193 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCc1ccc(Cl)o1 ZINC000825930328 609299285 /nfs/dbraw/zinc/29/92/85/609299285.db2.gz SQJWLTVKNJVJSZ-UHFFFAOYSA-N -1 1 379.812 1.193 20 0 GDADMM C[C@@H]1C[C@H]1c1ccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)o1 ZINC000824900916 609300050 /nfs/dbraw/zinc/30/00/50/609300050.db2.gz WPDOAMCKDJMFLQ-ZYHUDNBSSA-N -1 1 399.459 1.663 20 0 GDADMM C[C@@H]1C[C@H]1c1ccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)o1 ZINC000824900916 609300053 /nfs/dbraw/zinc/30/00/53/609300053.db2.gz WPDOAMCKDJMFLQ-ZYHUDNBSSA-N -1 1 399.459 1.663 20 0 GDADMM COC(=O)[C@@H]1CCCCCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826133283 609318166 /nfs/dbraw/zinc/31/81/66/609318166.db2.gz LFEDCXUDUUTMOV-ZDUSSCGKSA-N -1 1 383.405 1.112 20 0 GDADMM COC(=O)[C@H]1CCCCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826133769 609318614 /nfs/dbraw/zinc/31/86/14/609318614.db2.gz PLDXXUOMDVDXTQ-GFCCVEGCSA-N -1 1 399.860 1.626 20 0 GDADMM CNc1nc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cs1 ZINC000826090771 609350949 /nfs/dbraw/zinc/35/09/49/609350949.db2.gz OIPGRSUQBTYDNZ-UHFFFAOYSA-N -1 1 385.388 1.942 20 0 GDADMM CCC[C@@H](C)NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825232300 609353195 /nfs/dbraw/zinc/35/31/95/609353195.db2.gz FZJLEKQAHBHBFG-SNVBAGLBSA-N -1 1 386.391 1.435 20 0 GDADMM O=C(NCC1CCCC1)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826434240 609354994 /nfs/dbraw/zinc/35/49/94/609354994.db2.gz HPDDOWLWORYBCI-UHFFFAOYSA-N -1 1 398.402 1.436 20 0 GDADMM CC[C@@H]1COCCN1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825219552 609356665 /nfs/dbraw/zinc/35/66/65/609356665.db2.gz KIUTUPKPUJQWAQ-LLVKDONJSA-N -1 1 386.391 1.834 20 0 GDADMM Cn1cc(CCNC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cn1 ZINC000826360588 609359214 /nfs/dbraw/zinc/35/92/14/609359214.db2.gz QESUIHMKJJOYOZ-UHFFFAOYSA-N -1 1 396.390 1.289 20 0 GDADMM CC(C)[C@H](CCO)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824191793 609359570 /nfs/dbraw/zinc/35/95/70/609359570.db2.gz GALGDFREBXLNOL-LBPRGKRZSA-N -1 1 388.407 1.720 20 0 GDADMM O=C(NCC1CCOCC1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826435602 609362145 /nfs/dbraw/zinc/36/21/45/609362145.db2.gz RRNZPTVUHCKJHI-UHFFFAOYSA-N -1 1 386.391 1.740 20 0 GDADMM C[C@H](NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)[C@@H]1CCCO1 ZINC000824507058 609362584 /nfs/dbraw/zinc/36/25/84/609362584.db2.gz SMMAYNNCCSHLDW-GWCFXTLKSA-N -1 1 386.391 1.881 20 0 GDADMM CC[C@H]1CN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C[C@@H]1O ZINC000825200284 609363201 /nfs/dbraw/zinc/36/32/01/609363201.db2.gz ACMFDIHSXZMGLF-GWCFXTLKSA-N -1 1 386.391 1.426 20 0 GDADMM C[C@H]1CCCN1C(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824947449 609365760 /nfs/dbraw/zinc/36/57/60/609365760.db2.gz NRHWZTDDKWDTGY-JTQLQIEISA-N -1 1 384.375 1.141 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CCC[C@H]2[C@@H]2CCCC2=O)cc1-c1nn[n-]n1 ZINC000826229348 609395735 /nfs/dbraw/zinc/39/57/35/609395735.db2.gz AQYYMVRMMHVPGW-CABZTGNLSA-N -1 1 388.453 1.663 20 0 GDADMM CC[C@](C)(CCO)NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000825043703 609396347 /nfs/dbraw/zinc/39/63/47/609396347.db2.gz JUEWGRYXDLCJSW-GOSISDBHSA-N -1 1 386.460 1.126 20 0 GDADMM CC[C@](C)(CCO)NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000825043703 609396349 /nfs/dbraw/zinc/39/63/49/609396349.db2.gz JUEWGRYXDLCJSW-GOSISDBHSA-N -1 1 386.460 1.126 20 0 GDADMM O=C(CCCCNC(=O)c1ccc(-c2nnn[n-]2)nc1)OCc1ccccc1 ZINC000826406018 609397710 /nfs/dbraw/zinc/39/77/10/609397710.db2.gz DTBIIWYIXMZZBV-UHFFFAOYSA-N -1 1 380.408 1.905 20 0 GDADMM O=C(CCCCNC(=O)c1ccc(-c2nn[n-]n2)nc1)OCc1ccccc1 ZINC000826406018 609397712 /nfs/dbraw/zinc/39/77/12/609397712.db2.gz DTBIIWYIXMZZBV-UHFFFAOYSA-N -1 1 380.408 1.905 20 0 GDADMM Cc1onc(CC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)c1-c1nnn[n-]1 ZINC000826346604 609470717 /nfs/dbraw/zinc/47/07/17/609470717.db2.gz QDAUPBCEPYQECS-GFCCVEGCSA-N -1 1 387.831 1.754 20 0 GDADMM Cc1onc(CC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)c1-c1nn[n-]n1 ZINC000826346604 609470719 /nfs/dbraw/zinc/47/07/19/609470719.db2.gz QDAUPBCEPYQECS-GFCCVEGCSA-N -1 1 387.831 1.754 20 0 GDADMM CCc1cc(=O)c2cc(NC(=O)Cc3noc(C)c3-c3nnn[n-]3)ccc2[nH]1 ZINC000825694661 609472392 /nfs/dbraw/zinc/47/23/92/609472392.db2.gz YNMBOJCMDXDEFL-UHFFFAOYSA-N -1 1 379.380 1.748 20 0 GDADMM CCc1cc(=O)c2cc(NC(=O)Cc3noc(C)c3-c3nn[n-]n3)ccc2[nH]1 ZINC000825694661 609472395 /nfs/dbraw/zinc/47/23/95/609472395.db2.gz YNMBOJCMDXDEFL-UHFFFAOYSA-N -1 1 379.380 1.748 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)Cc2ccc3c(c2)NC(=O)C3)n1 ZINC000824147164 609503964 /nfs/dbraw/zinc/50/39/64/609503964.db2.gz ALPKTXOCRRNQIJ-UHFFFAOYSA-N -1 1 380.412 1.494 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)Cc2ccc3c(c2)NC(=O)C3)n1 ZINC000824147164 609503966 /nfs/dbraw/zinc/50/39/66/609503966.db2.gz ALPKTXOCRRNQIJ-UHFFFAOYSA-N -1 1 380.412 1.494 20 0 GDADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](C)[C@H](C)CO)c(OC)c1 ZINC000534138420 650218808 /nfs/dbraw/zinc/21/88/08/650218808.db2.gz PSGCIKWDRLYPHJ-VXGBXAGGSA-N -1 1 394.515 1.142 20 0 GDADMM COC(=O)[C@H]([N-]S(=O)(=O)CCOC(C)C)c1ccc(OC(F)F)cc1 ZINC000538119118 650305651 /nfs/dbraw/zinc/30/56/51/650305651.db2.gz VKFSASJSYSYODR-CYBMUJFWSA-N -1 1 381.397 1.847 20 0 GDADMM Cc1nc(S[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)[n-]c(=O)c1C ZINC000540714684 650368699 /nfs/dbraw/zinc/36/86/99/650368699.db2.gz ZKEUUIDMNZBBQP-SNVBAGLBSA-N -1 1 382.467 1.566 20 0 GDADMM CCOCCS(=O)(=O)[N-]Cc1nc(C(F)(F)c2ccc(F)cc2)no1 ZINC000544506525 650440398 /nfs/dbraw/zinc/44/03/98/650440398.db2.gz YIWKKEKOWXITDY-UHFFFAOYSA-N -1 1 379.360 1.805 20 0 GDADMM O=C(c1cc(=O)n2[n-]cnc2n1)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000546122972 650471725 /nfs/dbraw/zinc/47/17/25/650471725.db2.gz GEPVRTVNQGCASH-UHFFFAOYSA-N -1 1 382.207 1.359 20 0 GDADMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNc1ncnc2ccc(C)cc21 ZINC000546623029 650481890 /nfs/dbraw/zinc/48/18/90/650481890.db2.gz ODHHBSYMZXSJPD-UHFFFAOYSA-N -1 1 379.467 1.799 20 0 GDADMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)c1cccc(C(C)C)n1 ZINC000546663633 650482980 /nfs/dbraw/zinc/48/29/80/650482980.db2.gz XRZCCQARZNFEQS-UHFFFAOYSA-N -1 1 384.483 1.384 20 0 GDADMM O=S(=O)([N-]CCCc1nnc2ccccn21)c1ccc(Br)o1 ZINC000546770774 650485488 /nfs/dbraw/zinc/48/54/88/650485488.db2.gz VNBPDIGZYYCPRJ-UHFFFAOYSA-N -1 1 385.243 1.996 20 0 GDADMM O=S(=O)([N-][C@H]1CCCC[C@@H]1N1CCOCC1)c1ccc(Br)o1 ZINC000546777741 650485901 /nfs/dbraw/zinc/48/59/01/650485901.db2.gz WHHJKNLEIHKXKA-RYUDHWBXSA-N -1 1 393.303 1.964 20 0 GDADMM Cc1cccc(S(=O)(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c1Br ZINC000548537549 650550196 /nfs/dbraw/zinc/55/01/96/650550196.db2.gz BAGXNRJKJXHOEG-JTQLQIEISA-N -1 1 388.243 1.455 20 0 GDADMM O=S(=O)(C[C@H]1CCCS(=O)(=O)C1)c1n[n-]c(CCC2CCCC2)n1 ZINC000551237434 650602545 /nfs/dbraw/zinc/60/25/45/650602545.db2.gz SFDRNDHEFZJWJS-ZDUSSCGKSA-N -1 1 375.516 1.526 20 0 GDADMM COC(=O)[C@H](CNC(=O)c1ncccc1[O-])Oc1ccc(Br)cc1 ZINC000552816079 650632589 /nfs/dbraw/zinc/63/25/89/650632589.db2.gz CLXBXCUVOQPFCB-ZDUSSCGKSA-N -1 1 395.209 1.900 20 0 GDADMM COC(=O)[C@@]1([N-]S(=O)(=O)Cc2ccccc2Br)CCSC1 ZINC000553866054 650661834 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/nfs/dbraw/zinc/06/45/12/660064512.db2.gz UIHVPKTWTUJGJA-UHFFFAOYSA-N -1 1 392.257 1.949 20 0 GDADMM Cn1[nH]c(=O)c2c1CN(C(=O)c1ccc(I)c([O-])c1)CC2 ZINC000913032294 660064819 /nfs/dbraw/zinc/06/48/19/660064819.db2.gz PLUJKXNOZAEBOF-UHFFFAOYSA-N -1 1 399.188 1.634 20 0 GDADMM O=C(c1ccc(I)c([O-])c1)N1CCN[C@@H](c2cn[nH]c2)C1 ZINC000913451542 660080021 /nfs/dbraw/zinc/08/00/21/660080021.db2.gz OWKFCSBJWIFUHH-GFCCVEGCSA-N -1 1 398.204 1.507 20 0 GDADMM O=C(c1c[nH]c2cccc(Br)c21)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913496188 660083420 /nfs/dbraw/zinc/08/34/20/660083420.db2.gz VAEVAYQXYZQMLA-NSHDSACASA-N -1 1 377.202 1.657 20 0 GDADMM O=C(c1nc(Br)sc1Cl)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913500011 660084132 /nfs/dbraw/zinc/08/41/32/660084132.db2.gz UAKUNVSQYMCOLD-BYPYZUCNSA-N -1 1 379.627 1.286 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-]CCCNC(C)=O)c1F ZINC000913893579 660103181 /nfs/dbraw/zinc/10/31/81/660103181.db2.gz WLQULNNCYRAFJW-UHFFFAOYSA-N -1 1 383.239 1.401 20 0 GDADMM COc1nn2cc(Br)cnc2c1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1C ZINC000914069082 660113889 /nfs/dbraw/zinc/11/38/89/660113889.db2.gz STTJBIMARPQIDI-WCBMZHEXSA-N -1 1 389.275 1.967 20 0 GDADMM COc1nn2cc(Br)cnc2c1S(=O)(=O)[N-][C@H]1CC=CCC1 ZINC000914131320 660118713 /nfs/dbraw/zinc/11/87/13/660118713.db2.gz DFYMAIPOJXJMHD-JTQLQIEISA-N -1 1 387.259 1.887 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CCC(=O)N(C)C2)c1F ZINC000914135492 660119868 /nfs/dbraw/zinc/11/98/68/660119868.db2.gz IPARVXMBWVANCZ-MRVPVSSYSA-N -1 1 395.250 1.496 20 0 GDADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1c(Br)ccc(OC)c1F)C1CC1 ZINC000914210269 660127572 /nfs/dbraw/zinc/12/75/72/660127572.db2.gz OUAIRSXPHZWNDO-NSHDSACASA-N -1 1 396.234 1.827 20 0 GDADMM COc1nn2cc(Br)cnc2c1S(=O)(=O)[N-]CCC1(C)CC1 ZINC000915089654 660161340 /nfs/dbraw/zinc/16/13/40/660161340.db2.gz HKPBUWFTMOYAEI-UHFFFAOYSA-N -1 1 389.275 1.969 20 0 GDADMM CC(C)CN1CCO[C@@H](CNC(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)C1 ZINC000908757877 939314351 /nfs/dbraw/zinc/31/43/51/939314351.db2.gz DPYJJCWQVKVZIO-BBRMVZONSA-N -1 1 385.411 1.747 20 0 GDADMM C[C@@H](NC(=O)N[C@@H](C(=O)[O-])C1CC1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000929032139 939794524 /nfs/dbraw/zinc/79/45/24/939794524.db2.gz XESQRTADBISPNL-SJKOYZFVSA-N -1 1 378.448 1.801 20 0 GDADMM COc1ccc([C@H](NC(=O)N[C@H]2CCCN3CCSC[C@@H]23)C(=O)[O-])cc1 ZINC000929065181 939809352 /nfs/dbraw/zinc/80/93/52/939809352.db2.gz TZFABKVLPXWUQG-JYJNAYRXSA-N -1 1 379.482 1.700 20 0 GDADMM CCO[C@@H]1C[C@](NC(=O)N[C@H]2CCCN3CCSC[C@H]23)(C(=O)[O-])C1(C)C ZINC000929066604 939809894 /nfs/dbraw/zinc/80/98/94/939809894.db2.gz YZDFBOUNMWJICW-LWGWVAHUSA-N -1 1 385.530 1.524 20 0 GDADMM O=C([O-])[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc3cncn3c2)C1=O ZINC001611334131 970997141 /nfs/dbraw/zinc/99/71/41/970997141.db2.gz NLBQOIGUSOCCMW-IAGOWNOFSA-N -1 1 378.388 1.491 20 0 GDADMM C[C@H](NC(=O)c1nccs1)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571261649 945428937 /nfs/dbraw/zinc/42/89/37/945428937.db2.gz HTMOCVLDHWHXAC-JTQLQIEISA-N -1 1 385.457 1.148 20 0 GDADMM C[C@H](NC(=O)c1nccs1)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571261649 945428942 /nfs/dbraw/zinc/42/89/42/945428942.db2.gz HTMOCVLDHWHXAC-JTQLQIEISA-N -1 1 385.457 1.148 20 0 GDADMM CC(C)c1ncc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)CC2)s1 ZINC001571262112 945434728 /nfs/dbraw/zinc/43/47/28/945434728.db2.gz NHKRRCOWUUOJOJ-UHFFFAOYSA-N -1 1 385.457 1.199 20 0 GDADMM CC(C)c1ncc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)CC2)s1 ZINC001571262112 945434735 /nfs/dbraw/zinc/43/47/35/945434735.db2.gz NHKRRCOWUUOJOJ-UHFFFAOYSA-N -1 1 385.457 1.199 20 0 GDADMM Cc1nscc1C(=O)N1C[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)[C@H](C)C1 ZINC001571262890 945445902 /nfs/dbraw/zinc/44/59/02/945445902.db2.gz BHJOPHVBWBGCRM-MWLCHTKSSA-N -1 1 385.457 1.242 20 0 GDADMM Cc1nscc1C(=O)N1C[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)[C@H](C)C1 ZINC001571262890 945445909 /nfs/dbraw/zinc/44/59/09/945445909.db2.gz BHJOPHVBWBGCRM-MWLCHTKSSA-N -1 1 385.457 1.242 20 0 GDADMM Cc1ncsc1C(=O)N[C@@H]1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571262982 945447443 /nfs/dbraw/zinc/44/74/43/945447443.db2.gz DTKBOTUWYCNTNQ-WDEREUQCSA-N -1 1 385.457 1.575 20 0 GDADMM Cc1ncsc1C(=O)N[C@@H]1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571262982 945447451 /nfs/dbraw/zinc/44/74/51/945447451.db2.gz DTKBOTUWYCNTNQ-WDEREUQCSA-N -1 1 385.457 1.575 20 0 GDADMM Cc1ncc(C(=O)N2C[C@H](C)[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)s1 ZINC001571263020 945447601 /nfs/dbraw/zinc/44/76/01/945447601.db2.gz FUJWVZJAEVJCJU-ONGXEEELSA-N -1 1 385.457 1.242 20 0 GDADMM Cc1ncc(C(=O)N2C[C@H](C)[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)s1 ZINC001571263020 945447611 /nfs/dbraw/zinc/44/76/11/945447611.db2.gz FUJWVZJAEVJCJU-ONGXEEELSA-N -1 1 385.457 1.242 20 0 GDADMM Cc1nscc1C(=O)N[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571263108 945450264 /nfs/dbraw/zinc/45/02/64/945450264.db2.gz HOJYAUWGFYUILV-VXGBXAGGSA-N -1 1 385.457 1.575 20 0 GDADMM Cc1nscc1C(=O)N[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571263108 945450268 /nfs/dbraw/zinc/45/02/68/945450268.db2.gz HOJYAUWGFYUILV-VXGBXAGGSA-N -1 1 385.457 1.575 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCCN(C(=O)c3ccsn3)C2)n1 ZINC001571263476 945459483 /nfs/dbraw/zinc/45/94/83/945459483.db2.gz RFTZSPBWUOSELF-NSHDSACASA-N -1 1 385.457 1.386 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCCN(C(=O)c3ccsn3)C2)n1 ZINC001571263476 945459491 /nfs/dbraw/zinc/45/94/91/945459491.db2.gz RFTZSPBWUOSELF-NSHDSACASA-N -1 1 385.457 1.386 20 0 GDADMM Cc1nsc(NC[C@H]2CCCN2C(=O)c2ccnnc2C)c1-c1nn[n-]n1 ZINC001571263741 945465966 /nfs/dbraw/zinc/46/59/66/945465966.db2.gz XMDSXWFEBZVPLU-LLVKDONJSA-N -1 1 385.457 1.447 20 0 GDADMM CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(-c3nnn[n-]3)o2)NC(=S)N1 ZINC000820633550 945501804 /nfs/dbraw/zinc/50/18/04/945501804.db2.gz CFGNCZCDGUJZTA-CQSZACIVSA-N -1 1 381.421 1.891 20 0 GDADMM CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(-c3nn[n-]n3)o2)NC(=S)N1 ZINC000820633550 945501814 /nfs/dbraw/zinc/50/18/14/945501814.db2.gz CFGNCZCDGUJZTA-CQSZACIVSA-N -1 1 381.421 1.891 20 0 GDADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)c2cncc(Cl)c2)C1 ZINC001571265201 945504386 /nfs/dbraw/zinc/50/43/86/945504386.db2.gz GUCRGKMDSQETMM-LBPRGKRZSA-N -1 1 385.819 1.056 20 0 GDADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)c2cncc(Cl)c2)C1 ZINC001571265201 945504400 /nfs/dbraw/zinc/50/44/00/945504400.db2.gz GUCRGKMDSQETMM-LBPRGKRZSA-N -1 1 385.819 1.056 20 0 GDADMM CN(C(=O)c1cc(F)cc(F)c1)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571267233 945565596 /nfs/dbraw/zinc/56/55/96/945565596.db2.gz NGKFJVXJJKNYQM-ZDUSSCGKSA-N -1 1 386.366 1.286 20 0 GDADMM CN(C(=O)c1cc(F)cc(F)c1)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571267233 945565602 /nfs/dbraw/zinc/56/56/02/945565602.db2.gz NGKFJVXJJKNYQM-ZDUSSCGKSA-N -1 1 386.366 1.286 20 0 GDADMM COc1cc(C(=O)Nc2cnc(OC)c(-c3nn[n-]n3)c2)cc(OC)c1OC ZINC001571267410 945568796 /nfs/dbraw/zinc/56/87/96/945568796.db2.gz UQLXPBRKVJYKKT-UHFFFAOYSA-N -1 1 386.368 1.548 20 0 GDADMM COc1cccc(C(=O)N2CC[C@H](Nc3snc(C)c3-c3nn[n-]n3)C2)n1 ZINC001571270001 945629248 /nfs/dbraw/zinc/62/92/48/945629248.db2.gz JYBXZPXODUPDQZ-JTQLQIEISA-N -1 1 386.441 1.362 20 0 GDADMM Cc1nn(C)c(C)c1C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001571271771 945650501 /nfs/dbraw/zinc/65/05/01/945650501.db2.gz JCDYLJWBYYSHHM-UHFFFAOYSA-N -1 1 386.485 1.237 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NCC[C@H]2CCCCN2C(=O)[C@@H]2CCOC2)n1 ZINC001571272211 945657840 /nfs/dbraw/zinc/65/78/40/945657840.db2.gz BBHHKIGLJVDTJY-ZIAGYGMSSA-N -1 1 386.460 1.185 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NCC[C@H]2CCCCN2C(=O)[C@@H]2CCOC2)n1 ZINC001571272211 945657846 /nfs/dbraw/zinc/65/78/46/945657846.db2.gz BBHHKIGLJVDTJY-ZIAGYGMSSA-N -1 1 386.460 1.185 20 0 GDADMM CCc1nc(N[C@H]2C[C@H](NC(=O)[C@@H]3CCO[C@H](C)C3)C2)cc(-c2nnn[n-]2)n1 ZINC001571272904 945673823 /nfs/dbraw/zinc/67/38/23/945673823.db2.gz KPWZLAUHSHCGIO-FDYHWXHSSA-N -1 1 386.460 1.093 20 0 GDADMM CCc1nc(N[C@H]2C[C@H](NC(=O)[C@@H]3CCO[C@H](C)C3)C2)cc(-c2nn[n-]n2)n1 ZINC001571272904 945673830 /nfs/dbraw/zinc/67/38/30/945673830.db2.gz KPWZLAUHSHCGIO-FDYHWXHSSA-N -1 1 386.460 1.093 20 0 GDADMM O=C(CCC1CCOCC1)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571273001 945677480 /nfs/dbraw/zinc/67/74/80/945677480.db2.gz MOSPREOEKYNVOE-CQSZACIVSA-N -1 1 386.460 1.266 20 0 GDADMM O=C(CCC1CCOCC1)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571273001 945677488 /nfs/dbraw/zinc/67/74/88/945677488.db2.gz MOSPREOEKYNVOE-CQSZACIVSA-N -1 1 386.460 1.266 20 0 GDADMM O=C(C[C@@H]1CCOC1)N1CCC[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571273191 945681418 /nfs/dbraw/zinc/68/14/18/945681418.db2.gz SEFLQIIVGGDKRJ-KGLIPLIRSA-N -1 1 386.460 1.124 20 0 GDADMM O=C(C[C@@H]1CCOC1)N1CCC[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571273191 945681423 /nfs/dbraw/zinc/68/14/23/945681423.db2.gz SEFLQIIVGGDKRJ-KGLIPLIRSA-N -1 1 386.460 1.124 20 0 GDADMM Cc1nc(-c2nn[n-]n2)c(N2CCC(C(=O)NN3C[C@@H]4CCC[C@H]4C3)CC2)o1 ZINC001571273383 945686195 /nfs/dbraw/zinc/68/61/95/945686195.db2.gz WPDPRHQJDPXVCU-KBPBESRZSA-N -1 1 386.460 1.143 20 0 GDADMM COC(=O)c1ccc(NC(=O)c2ccsc2-c2nnn[n-]2)cc1C(=O)OC ZINC001571274120 945693296 /nfs/dbraw/zinc/69/32/96/945693296.db2.gz BLKVIMAHCHSTNX-UHFFFAOYSA-N -1 1 387.377 1.754 20 0 GDADMM COC(=O)c1ccc(NC(=O)c2ccsc2-c2nn[n-]n2)cc1C(=O)OC ZINC001571274120 945693298 /nfs/dbraw/zinc/69/32/98/945693298.db2.gz BLKVIMAHCHSTNX-UHFFFAOYSA-N -1 1 387.377 1.754 20 0 GDADMM CC(C)(CC(=O)N1CCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1)C1CC1 ZINC001571276654 945735149 /nfs/dbraw/zinc/73/51/49/945735149.db2.gz KINCWEXXZCZGFI-CYBMUJFWSA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)(CC(=O)N1CCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1)C1CC1 ZINC001571276654 945735156 /nfs/dbraw/zinc/73/51/56/945735156.db2.gz KINCWEXXZCZGFI-CYBMUJFWSA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)C(=O)N1CCC2(CO[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001571277535 945742708 /nfs/dbraw/zinc/74/27/08/945742708.db2.gz LJAVFXAPVDDUQV-CYBMUJFWSA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)C(=O)N1CCC2(CO[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001571277535 945742717 /nfs/dbraw/zinc/74/27/17/945742717.db2.gz LJAVFXAPVDDUQV-CYBMUJFWSA-N -1 1 386.460 1.122 20 0 GDADMM CC(=O)N1CCC([C@H]2OCCC[C@H]2Nc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001571278626 945756629 /nfs/dbraw/zinc/75/66/29/945756629.db2.gz POOSOZMHAHELRP-GDBMZVCRSA-N -1 1 386.460 1.183 20 0 GDADMM CC(=O)N1CCC([C@H]2OCCC[C@H]2Nc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001571278626 945756635 /nfs/dbraw/zinc/75/66/35/945756635.db2.gz POOSOZMHAHELRP-GDBMZVCRSA-N -1 1 386.460 1.183 20 0 GDADMM CC1(C(=O)N2CCCO[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)CCCC1 ZINC001571279975 945792565 /nfs/dbraw/zinc/79/25/65/945792565.db2.gz YOJPAEFTZAGUMF-ZDUSSCGKSA-N -1 1 386.460 1.266 20 0 GDADMM CC1(C(=O)N2CCCO[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)CCCC1 ZINC001571279975 945792571 /nfs/dbraw/zinc/79/25/71/945792571.db2.gz YOJPAEFTZAGUMF-ZDUSSCGKSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@@H]1COCC[C@H]1C(=O)N1CCC(C)(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571279990 945793147 /nfs/dbraw/zinc/79/31/47/945793147.db2.gz YRUUDWXIGBOTMP-CHWSQXEVSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H]1COCC[C@H]1C(=O)N1CCC(C)(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571279990 945793156 /nfs/dbraw/zinc/79/31/56/945793156.db2.gz YRUUDWXIGBOTMP-CHWSQXEVSA-N -1 1 386.460 1.122 20 0 GDADMM CCn1ccc(C(=O)N2C[C@H](Nc3snc(C)c3-c3nn[n-]n3)C[C@H]2C)n1 ZINC001571281029 945795205 /nfs/dbraw/zinc/79/52/05/945795205.db2.gz BIJDGLPGJBEGEQ-MWLCHTKSSA-N -1 1 387.473 1.563 20 0 GDADMM CCn1ccc(C(=O)N2C[C@H](Nc3snc(C)c3-c3nn[n-]n3)C[C@@H]2C)n1 ZINC001571281024 945795951 /nfs/dbraw/zinc/79/59/51/945795951.db2.gz BIJDGLPGJBEGEQ-GXSJLCMTSA-N -1 1 387.473 1.563 20 0 GDADMM Cc1ncc(C(=O)NCC2CCN(c3snc(C)c3-c3nn[n-]n3)CC2)[nH]1 ZINC001571281686 945808743 /nfs/dbraw/zinc/80/87/43/945808743.db2.gz LTAPTHFPXAVBKU-UHFFFAOYSA-N -1 1 387.473 1.310 20 0 GDADMM CC1(C)CN(C(=O)c2cc(Cl)c[nH]2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571284208 945897538 /nfs/dbraw/zinc/89/75/38/945897538.db2.gz MXDKBLUXZWDPHT-NSHDSACASA-N -1 1 387.835 1.023 20 0 GDADMM C[C@H]1CN(C(=O)c2cc(Cl)c[nH]2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571284618 945902899 /nfs/dbraw/zinc/90/28/99/945902899.db2.gz RQAVFBJMAIOZEO-VHSXEESVSA-N -1 1 387.835 1.458 20 0 GDADMM C[C@H]1CN(C(=O)c2cc(Cl)c[nH]2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571284618 945902911 /nfs/dbraw/zinc/90/29/11/945902911.db2.gz RQAVFBJMAIOZEO-VHSXEESVSA-N -1 1 387.835 1.458 20 0 GDADMM Cn1cc(Cl)cc1C(=O)N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571285609 945922352 /nfs/dbraw/zinc/92/23/52/945922352.db2.gz JVNIGRFCVYJTHM-NSHDSACASA-N -1 1 387.835 1.365 20 0 GDADMM Cn1cc(Cl)cc1C(=O)N1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571285609 945922366 /nfs/dbraw/zinc/92/23/66/945922366.db2.gz JVNIGRFCVYJTHM-NSHDSACASA-N -1 1 387.835 1.365 20 0 GDADMM O=C(N[C@@H]1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1)c1cc(Cl)c[nH]1 ZINC001571286035 945935670 /nfs/dbraw/zinc/93/56/70/945935670.db2.gz VOTXCVBVHYBBDY-GXSJLCMTSA-N -1 1 387.835 1.649 20 0 GDADMM O=C(N[C@@H]1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1)c1cc(Cl)c[nH]1 ZINC001571286035 945935675 /nfs/dbraw/zinc/93/56/75/945935675.db2.gz VOTXCVBVHYBBDY-GXSJLCMTSA-N -1 1 387.835 1.649 20 0 GDADMM COc1ncc(NC(=O)NCC(C)(C)C(=O)N2CCCC2)cc1-c1nn[n-]n1 ZINC001571286740 945957576 /nfs/dbraw/zinc/95/75/76/945957576.db2.gz QIOSCHOHCYXMLZ-UHFFFAOYSA-N -1 1 388.432 1.040 20 0 GDADMM Cc1cc(=O)c(C(=O)Nc2ncc(-c3nnn[n-]3)s2)nn1-c1ccccc1F ZINC000822161706 945969611 /nfs/dbraw/zinc/96/96/11/945969611.db2.gz UDLFXCQCNNCZNU-UHFFFAOYSA-N -1 1 398.383 1.569 20 0 GDADMM Cc1cc(=O)c(C(=O)Nc2ncc(-c3nn[n-]n3)s2)nn1-c1ccccc1F ZINC000822161706 945969629 /nfs/dbraw/zinc/96/96/29/945969629.db2.gz UDLFXCQCNNCZNU-UHFFFAOYSA-N -1 1 398.383 1.569 20 0 GDADMM Cc1nsc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccns2)C3)c1-c1nn[n-]n1 ZINC001571289343 946003037 /nfs/dbraw/zinc/00/30/37/946003037.db2.gz AANXDWBASODXBU-UTLUCORTSA-N -1 1 388.482 1.628 20 0 GDADMM Cc1nsc(NC[C@@H]2CN(C(=O)c3ncoc3C)C[C@@H]2C)c1-c1nn[n-]n1 ZINC001571289669 946014206 /nfs/dbraw/zinc/01/42/06/946014206.db2.gz JROOSEYJKZTKFB-GZMMTYOYSA-N -1 1 388.457 1.748 20 0 GDADMM O=C(N1CC[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1)C1(F)CCCCC1 ZINC001571289660 946014953 /nfs/dbraw/zinc/01/49/53/946014953.db2.gz JNOVHPULKLVDEH-ZDUSSCGKSA-N -1 1 388.451 1.402 20 0 GDADMM O=C(NC[C@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1)[C@H]1CC12CCC2 ZINC001571289953 946022058 /nfs/dbraw/zinc/02/20/58/946022058.db2.gz QQWLPCNLUQSUBZ-GXTWGEPZSA-N -1 1 388.497 1.435 20 0 GDADMM CC[C@@H](F)C(=O)N1CC2(C[C@H]1C)CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571290041 946024882 /nfs/dbraw/zinc/02/48/82/946024882.db2.gz TXTLBDVHOOXSBT-CHWSQXEVSA-N -1 1 388.451 1.612 20 0 GDADMM CC[C@@H](F)C(=O)N1CC2(C[C@H]1C)CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001571290041 946024897 /nfs/dbraw/zinc/02/48/97/946024897.db2.gz TXTLBDVHOOXSBT-CHWSQXEVSA-N -1 1 388.451 1.612 20 0 GDADMM C[C@@H](C(=O)N1CCC(O)(CNc2cnc(-c3nnn[n-]3)cn2)CC1)C(C)(C)C ZINC001571290022 946025731 /nfs/dbraw/zinc/02/57/31/946025731.db2.gz STMDNIAUUBBJEE-LBPRGKRZSA-N -1 1 388.476 1.104 20 0 GDADMM C[C@@H](C(=O)N1CCC(O)(CNc2cnc(-c3nn[n-]n3)cn2)CC1)C(C)(C)C ZINC001571290022 946025742 /nfs/dbraw/zinc/02/57/42/946025742.db2.gz STMDNIAUUBBJEE-LBPRGKRZSA-N -1 1 388.476 1.104 20 0 GDADMM O=C(N[C@H]1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccoc1Cl ZINC001571290442 946041848 /nfs/dbraw/zinc/04/18/48/946041848.db2.gz FFOXHTRAZFPERN-UWVGGRQHSA-N -1 1 388.819 1.478 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](NC(=O)c3ccc(Cl)o3)C2)n1 ZINC001571290869 946060976 /nfs/dbraw/zinc/06/09/76/946060976.db2.gz RKFRGUCYYKIPTO-SNVBAGLBSA-N -1 1 388.819 1.610 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](NC(=O)c3ccc(Cl)o3)C2)n1 ZINC001571290869 946060987 /nfs/dbraw/zinc/06/09/87/946060987.db2.gz RKFRGUCYYKIPTO-SNVBAGLBSA-N -1 1 388.819 1.610 20 0 GDADMM CN(c1cncc(-c2nnn[n-]2)n1)C1CCN(C(=O)c2occc2Cl)CC1 ZINC001571291057 946064787 /nfs/dbraw/zinc/06/47/87/946064787.db2.gz ZVVVYNZUOPHORU-UHFFFAOYSA-N -1 1 388.819 1.644 20 0 GDADMM CN(c1cncc(-c2nn[n-]n2)n1)C1CCN(C(=O)c2occc2Cl)CC1 ZINC001571291057 946064798 /nfs/dbraw/zinc/06/47/98/946064798.db2.gz ZVVVYNZUOPHORU-UHFFFAOYSA-N -1 1 388.819 1.644 20 0 GDADMM CC1(C)CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1NC(=O)c1occc1Cl ZINC001571291015 946065739 /nfs/dbraw/zinc/06/57/39/946065739.db2.gz YBXNZLVWYLQFGA-NSHDSACASA-N -1 1 388.819 1.548 20 0 GDADMM CC1(C)CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1NC(=O)c1occc1Cl ZINC001571291015 946065761 /nfs/dbraw/zinc/06/57/61/946065761.db2.gz YBXNZLVWYLQFGA-NSHDSACASA-N -1 1 388.819 1.548 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCCC[C@@H]1c1ncccn1 ZINC001571292233 946089767 /nfs/dbraw/zinc/08/97/67/946089767.db2.gz WCGIBHQNAQGWEF-CQSZACIVSA-N -1 1 389.416 1.712 20 0 GDADMM Cc1oc(NC(=O)[C@H](C)N(C)Cc2nnc3n2CCC3)c(-c2nn[n-]n2)c1C ZINC000822541932 946118477 /nfs/dbraw/zinc/11/84/77/946118477.db2.gz RLKSUWXILKPOQP-JTQLQIEISA-N -1 1 385.432 1.073 20 0 GDADMM O=C([C@H]1CCC1(F)F)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001571294633 946141302 /nfs/dbraw/zinc/14/13/02/946141302.db2.gz KJQZJKFFVKDQLV-GRYCIOLGSA-N -1 1 390.398 1.272 20 0 GDADMM O=C([C@H]1CCC1(F)F)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001571294633 946141307 /nfs/dbraw/zinc/14/13/07/946141307.db2.gz KJQZJKFFVKDQLV-GRYCIOLGSA-N -1 1 390.398 1.272 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H](CO)CCC(C)(C)C ZINC001571298048 946204152 /nfs/dbraw/zinc/20/41/52/946204152.db2.gz IEEFJJSGULLKJK-ZDUSSCGKSA-N -1 1 390.488 1.820 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC001571298193 946209132 /nfs/dbraw/zinc/20/91/32/946209132.db2.gz BVLXAGBRHWGSKA-BMFZPTHFSA-N -1 1 390.451 1.640 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC001571298193 946209141 /nfs/dbraw/zinc/20/91/41/946209141.db2.gz BVLXAGBRHWGSKA-BMFZPTHFSA-N -1 1 390.451 1.640 20 0 GDADMM CCc1ccccc1C(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001571298390 946216083 /nfs/dbraw/zinc/21/60/83/946216083.db2.gz FZPAYGNAWXDPAZ-PHZGNYQRSA-N -1 1 390.451 1.331 20 0 GDADMM CCc1ccccc1C(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571298390 946216092 /nfs/dbraw/zinc/21/60/92/946216092.db2.gz FZPAYGNAWXDPAZ-PHZGNYQRSA-N -1 1 390.451 1.331 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)[C@H]1C[C@@H]1c1ccccc1 ZINC001571299264 946245030 /nfs/dbraw/zinc/24/50/30/946245030.db2.gz VJPGTSZFBQLDOS-OAGGEKHMSA-N -1 1 390.451 1.545 20 0 GDADMM CN(c1nccnc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)c2cscc2Cl)C1 ZINC001571299347 946247549 /nfs/dbraw/zinc/24/75/49/946247549.db2.gz LHXDTZDPJGDKDL-SECBINFHSA-N -1 1 390.860 1.723 20 0 GDADMM CN(c1nccnc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)c2cscc2Cl)C1 ZINC001571299347 946247555 /nfs/dbraw/zinc/24/75/55/946247555.db2.gz LHXDTZDPJGDKDL-SECBINFHSA-N -1 1 390.860 1.723 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@]3(CCN(c4ccc(-c5nnn[n-]5)nn4)C3)C2)cc1 ZINC001571299457 946250267 /nfs/dbraw/zinc/25/02/67/946250267.db2.gz RUXMDDAZKDRHOU-FQEVSTJZSA-N -1 1 390.451 1.708 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@]3(CCN(c4ccc(-c5nn[n-]n5)nn4)C3)C2)cc1 ZINC001571299457 946250279 /nfs/dbraw/zinc/25/02/79/946250279.db2.gz RUXMDDAZKDRHOU-FQEVSTJZSA-N -1 1 390.451 1.708 20 0 GDADMM CN(c1nccnc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)C2Cc3ccccc3C2)C1 ZINC001571299481 946250897 /nfs/dbraw/zinc/25/08/97/946250897.db2.gz SECBZJHABUUFES-MRXNPFEDSA-N -1 1 390.451 1.109 20 0 GDADMM CN(c1nccnc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)C2Cc3ccccc3C2)C1 ZINC001571299481 946250909 /nfs/dbraw/zinc/25/09/09/946250909.db2.gz SECBZJHABUUFES-MRXNPFEDSA-N -1 1 390.451 1.109 20 0 GDADMM CN(c1nccnc1-c1nnn[n-]1)[C@H]1CCN(C(=O)C2Cc3ccccc3C2)C1 ZINC001571299479 946251680 /nfs/dbraw/zinc/25/16/80/946251680.db2.gz SECBZJHABUUFES-INIZCTEOSA-N -1 1 390.451 1.109 20 0 GDADMM CN(c1nccnc1-c1nn[n-]n1)[C@H]1CCN(C(=O)C2Cc3ccccc3C2)C1 ZINC001571299479 946251693 /nfs/dbraw/zinc/25/16/93/946251693.db2.gz SECBZJHABUUFES-INIZCTEOSA-N -1 1 390.451 1.109 20 0 GDADMM O=C(N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)[C@H]1CCCc2ccccc21 ZINC001571299717 946259098 /nfs/dbraw/zinc/25/90/98/946259098.db2.gz ZMLFOAGGIMJZEZ-HOCLYGCPSA-N -1 1 390.451 1.472 20 0 GDADMM O=C(N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)[C@H]1CCCc2ccccc21 ZINC001571299717 946259109 /nfs/dbraw/zinc/25/91/09/946259109.db2.gz ZMLFOAGGIMJZEZ-HOCLYGCPSA-N -1 1 390.451 1.472 20 0 GDADMM C[C@@H]1CN(C(=O)c2csc(Cl)c2)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571300290 946277490 /nfs/dbraw/zinc/27/74/90/946277490.db2.gz YXJHCKLMPCFXPI-PSASIEDQSA-N -1 1 390.860 1.944 20 0 GDADMM C[C@@H]1CN(C(=O)c2csc(Cl)c2)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571300290 946277499 /nfs/dbraw/zinc/27/74/99/946277499.db2.gz YXJHCKLMPCFXPI-PSASIEDQSA-N -1 1 390.860 1.944 20 0 GDADMM O=C(N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccsc1Cl ZINC001571300302 946281487 /nfs/dbraw/zinc/28/14/87/946281487.db2.gz ZFRRAOVOMRSLCX-SECBINFHSA-N -1 1 390.860 1.770 20 0 GDADMM O=C(N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccsc1Cl ZINC001571300302 946281492 /nfs/dbraw/zinc/28/14/92/946281492.db2.gz ZFRRAOVOMRSLCX-SECBINFHSA-N -1 1 390.860 1.770 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H]3CC[C@@H](C2)N3C(=O)c2ccncc2)n1 ZINC001571302661 946310402 /nfs/dbraw/zinc/31/04/02/946310402.db2.gz DUSLLGYSYPWHLM-CABCVRRESA-N -1 1 391.439 1.244 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H]3CC[C@@H](C2)N3C(=O)c2ccncc2)n1 ZINC001571302661 946310414 /nfs/dbraw/zinc/31/04/14/946310414.db2.gz DUSLLGYSYPWHLM-CABCVRRESA-N -1 1 391.439 1.244 20 0 GDADMM Cc1ccccc1[C@@H](O)CNS(=O)(=O)c1c(C)cc(F)cc1-c1nn[n-]n1 ZINC001571302816 946314724 /nfs/dbraw/zinc/31/47/24/946314724.db2.gz DFTGBKQVMXDEBB-HNNXBMFYSA-N -1 1 391.428 1.635 20 0 GDADMM O=C(NC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)c1ccc(C2CC2)cn1 ZINC001571303031 946322840 /nfs/dbraw/zinc/32/28/40/946322840.db2.gz JLFBNXCEJWQRIK-CQSZACIVSA-N -1 1 391.439 1.328 20 0 GDADMM O=C(NC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)c1ccc(C2CC2)cn1 ZINC001571303031 946322850 /nfs/dbraw/zinc/32/28/50/946322850.db2.gz JLFBNXCEJWQRIK-CQSZACIVSA-N -1 1 391.439 1.328 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)ccn1 ZINC001571303055 946322921 /nfs/dbraw/zinc/32/29/21/946322921.db2.gz KBOKGJHSSNAUTE-GOEBONIOSA-N -1 1 391.439 1.101 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]32)ccn1 ZINC001571303055 946322927 /nfs/dbraw/zinc/32/29/27/946322927.db2.gz KBOKGJHSSNAUTE-GOEBONIOSA-N -1 1 391.439 1.101 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000823131309 946327324 /nfs/dbraw/zinc/32/73/24/946327324.db2.gz FRORQQBTXJEYHS-UHFFFAOYSA-N -1 1 389.379 1.349 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001571303592 946342369 /nfs/dbraw/zinc/34/23/69/946342369.db2.gz NXDFQMJOOYXBLL-AEGPPILISA-N -1 1 391.439 1.035 20 0 GDADMM Cc1cccc(C(=O)N[C@@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C23CCC3)n1 ZINC001571303763 946347283 /nfs/dbraw/zinc/34/72/83/946347283.db2.gz XIHXJXPEBQTLLI-LSDHHAIUSA-N -1 1 391.439 1.513 20 0 GDADMM Cc1cccc(C(=O)N[C@@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C23CCC3)n1 ZINC001571303763 946347294 /nfs/dbraw/zinc/34/72/94/946347294.db2.gz XIHXJXPEBQTLLI-LSDHHAIUSA-N -1 1 391.439 1.513 20 0 GDADMM Cc1nsc(NC[C@@H]2CCCCN2C(=O)[C@@H]2CCCOC2)c1-c1nn[n-]n1 ZINC001571305482 946363123 /nfs/dbraw/zinc/36/31/23/946363123.db2.gz CJIFXANUIMGFKZ-OLZOCXBDSA-N -1 1 391.501 1.851 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2nc(-c3nn[n-]n3)c(Cl)s2)C1)c1ccnnc1 ZINC001571305657 946370544 /nfs/dbraw/zinc/37/05/44/946370544.db2.gz INIGSBPEPLDQFG-XWEPSHTISA-N -1 1 391.848 1.387 20 0 GDADMM Cc1nsc(N[C@@H]2CN(C(=O)c3cnsn3)CC2(C)C)c1-c1nn[n-]n1 ZINC001571305684 946372648 /nfs/dbraw/zinc/37/26/48/946372648.db2.gz JHYIRBDMYVIPPA-SECBINFHSA-N -1 1 391.486 1.446 20 0 GDADMM Cc1nsc(NC[C@@H]2CCC[C@H]2NC(=O)c2cnns2)c1-c1nn[n-]n1 ZINC001571306103 946388902 /nfs/dbraw/zinc/38/89/02/946388902.db2.gz PLPKUKGTTPGXIH-DTWKUNHWSA-N -1 1 391.486 1.494 20 0 GDADMM Cc1nsc(NC[C@H]2CCC[C@H]2NC(=O)c2cnns2)c1-c1nn[n-]n1 ZINC001571306106 946389308 /nfs/dbraw/zinc/38/93/08/946389308.db2.gz PLPKUKGTTPGXIH-RKDXNWHRSA-N -1 1 391.486 1.494 20 0 GDADMM C[C@H]1C[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)CN1C(=O)c1ncccn1 ZINC001571306166 946392177 /nfs/dbraw/zinc/39/21/77/946392177.db2.gz QFJMKODJYLQWFQ-JGVFFNPUSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1C[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)CN1C(=O)c1ncccn1 ZINC001571306166 946392189 /nfs/dbraw/zinc/39/21/89/946392189.db2.gz QFJMKODJYLQWFQ-JGVFFNPUSA-N -1 1 391.848 1.482 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)c1nc(Cl)cs1 ZINC001571306383 946396899 /nfs/dbraw/zinc/39/68/99/946396899.db2.gz UTLYXUINOJEDJJ-ZKCHVHJHSA-N -1 1 391.848 1.387 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)c1nc(Cl)cs1 ZINC001571306383 946396913 /nfs/dbraw/zinc/39/69/13/946396913.db2.gz UTLYXUINOJEDJJ-ZKCHVHJHSA-N -1 1 391.848 1.387 20 0 GDADMM Cc1nsc(NC2CCC(N(C)C(=O)[C@H]3CCCO3)CC2)c1-c1nn[n-]n1 ZINC001571306397 946400004 /nfs/dbraw/zinc/40/00/04/946400004.db2.gz VKJCKFLOOBGSRB-WXRRBKDZSA-N -1 1 391.501 1.992 20 0 GDADMM CC1(C(=O)NC2CCC(Nc3cnc(-c4nnn[n-]4)cn3)CC2)CC(F)(F)C1 ZINC001571307914 946426904 /nfs/dbraw/zinc/42/69/04/946426904.db2.gz JXLIAKZRJSKVFD-UHFFFAOYSA-N -1 1 392.414 1.931 20 0 GDADMM CC1(C(=O)NC2CCC(Nc3cnc(-c4nn[n-]n4)cn3)CC2)CC(F)(F)C1 ZINC001571307914 946426909 /nfs/dbraw/zinc/42/69/09/946426909.db2.gz JXLIAKZRJSKVFD-UHFFFAOYSA-N -1 1 392.414 1.931 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)C1(C)CC(F)(F)C1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571308056 946429963 /nfs/dbraw/zinc/42/99/63/946429963.db2.gz KVAXHRBFKFAJRW-LLVKDONJSA-N -1 1 392.414 1.519 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)C1(C)CC(F)(F)C1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571308056 946429967 /nfs/dbraw/zinc/42/99/67/946429967.db2.gz KVAXHRBFKFAJRW-LLVKDONJSA-N -1 1 392.414 1.519 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@H]2CCCN2C(=O)[C@H]2C[C@@H]2C(F)F)n1 ZINC001571308327 946430824 /nfs/dbraw/zinc/43/08/24/946430824.db2.gz OQKKVCWYUHFJJH-WOPDTQHZSA-N -1 1 392.414 1.294 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@H]2CCCN2C(=O)[C@H]2C[C@@H]2C(F)F)n1 ZINC001571308327 946430833 /nfs/dbraw/zinc/43/08/33/946430833.db2.gz OQKKVCWYUHFJJH-WOPDTQHZSA-N -1 1 392.414 1.294 20 0 GDADMM CCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)[C@@H]2CCC2(F)F)CC1 ZINC001571308888 946437363 /nfs/dbraw/zinc/43/73/63/946437363.db2.gz UJVLKTSDHXKENS-NSHDSACASA-N -1 1 392.414 1.885 20 0 GDADMM CCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)[C@@H]2CCC2(F)F)CC1 ZINC001571308888 946437382 /nfs/dbraw/zinc/43/73/82/946437382.db2.gz UJVLKTSDHXKENS-NSHDSACASA-N -1 1 392.414 1.885 20 0 GDADMM C[C@H]1Cc2cccc(C(=O)N[C@H]3C[C@H](Nc4cncc(-c5nnn[n-]5)n4)C3)c2O1 ZINC001571309619 946449661 /nfs/dbraw/zinc/44/96/61/946449661.db2.gz FVIZMSIIMIFNRB-DRZSPHRISA-N -1 1 392.423 1.353 20 0 GDADMM C[C@H]1Cc2cccc(C(=O)N[C@H]3C[C@H](Nc4cncc(-c5nn[n-]n5)n4)C3)c2O1 ZINC001571309619 946449672 /nfs/dbraw/zinc/44/96/72/946449672.db2.gz FVIZMSIIMIFNRB-DRZSPHRISA-N -1 1 392.423 1.353 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)[C@H]1COc2ccccc21 ZINC001571309725 946452884 /nfs/dbraw/zinc/45/28/84/946452884.db2.gz IPKRESJRBGPDJJ-SCRDCRAPSA-N -1 1 392.423 1.140 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)[C@H]1COc2ccccc21 ZINC001571309725 946452892 /nfs/dbraw/zinc/45/28/92/946452892.db2.gz IPKRESJRBGPDJJ-SCRDCRAPSA-N -1 1 392.423 1.140 20 0 GDADMM CC(=O)N[C@H]1C[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)Oc2ccccc21 ZINC001571310135 946463513 /nfs/dbraw/zinc/46/35/13/946463513.db2.gz WEXIOECSBGMGAA-IFXJQAMLSA-N -1 1 392.423 1.266 20 0 GDADMM CC(=O)N[C@H]1C[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)Oc2ccccc21 ZINC001571310135 946463517 /nfs/dbraw/zinc/46/35/17/946463517.db2.gz WEXIOECSBGMGAA-IFXJQAMLSA-N -1 1 392.423 1.266 20 0 GDADMM O=C(c1cccc2c1COCC2)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571312459 946491411 /nfs/dbraw/zinc/49/14/11/946491411.db2.gz DNNVZFUPCWIJKY-CYBMUJFWSA-N -1 1 392.423 1.056 20 0 GDADMM O=C(c1cccc2c1COCC2)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571312459 946491421 /nfs/dbraw/zinc/49/14/21/946491421.db2.gz DNNVZFUPCWIJKY-CYBMUJFWSA-N -1 1 392.423 1.056 20 0 GDADMM C[C@H](C(=O)N(C)C1CCN(c2nccnc2-c2nnn[n-]2)CC1)c1ccccc1 ZINC001571313289 946518342 /nfs/dbraw/zinc/51/83/42/946518342.db2.gz LQKVQLYDGQBUAH-AWEZNQCLSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@H](C(=O)N(C)C1CCN(c2nccnc2-c2nn[n-]n2)CC1)c1ccccc1 ZINC001571313289 946518346 /nfs/dbraw/zinc/51/83/46/946518346.db2.gz LQKVQLYDGQBUAH-AWEZNQCLSA-N -1 1 392.467 1.888 20 0 GDADMM Cc1cccc([C@@H](C)C(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C)c1 ZINC001571315425 946553312 /nfs/dbraw/zinc/55/33/12/946553312.db2.gz KHSHLESFYITCEW-CKEIUWERSA-N -1 1 392.467 1.710 20 0 GDADMM Cc1cccc([C@@H](C)C(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C)c1 ZINC001571315425 946553319 /nfs/dbraw/zinc/55/33/19/946553319.db2.gz KHSHLESFYITCEW-CKEIUWERSA-N -1 1 392.467 1.710 20 0 GDADMM Cc1ccc(CC(=O)N2CCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)cc1C ZINC001571316316 946570852 /nfs/dbraw/zinc/57/08/52/946570852.db2.gz ZLILWFQSRUMYLI-MRXNPFEDSA-N -1 1 392.467 1.919 20 0 GDADMM Cc1ccc(CC(=O)N2CCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)cc1C ZINC001571316316 946570858 /nfs/dbraw/zinc/57/08/58/946570858.db2.gz ZLILWFQSRUMYLI-MRXNPFEDSA-N -1 1 392.467 1.919 20 0 GDADMM O=C(Cc1ccccc1)N1CCCCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571317062 946598847 /nfs/dbraw/zinc/59/88/47/946598847.db2.gz UJNIANPUFRTGAX-MRXNPFEDSA-N -1 1 392.467 1.504 20 0 GDADMM O=C(Cc1ccc[nH]1)N[C@@H]1CCCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571317292 946606891 /nfs/dbraw/zinc/60/68/91/946606891.db2.gz BFAKBQDNSADQAM-SNVBAGLBSA-N -1 1 392.876 1.632 20 0 GDADMM O=C(CCn1cccc1)N1CC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571317770 946621687 /nfs/dbraw/zinc/62/16/87/946621687.db2.gz VDSANPZKFGMTID-JTQLQIEISA-N -1 1 392.876 1.881 20 0 GDADMM O=C(CCn1cccc1)N1CC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571317770 946621690 /nfs/dbraw/zinc/62/16/90/946621690.db2.gz VDSANPZKFGMTID-JTQLQIEISA-N -1 1 392.876 1.881 20 0 GDADMM Cc1cnoc1C(=O)N1C[C@@H]2C[C@H]1CN2c1snc(Cl)c1-c1nnn[n-]1 ZINC001571317942 946623934 /nfs/dbraw/zinc/62/39/34/946623934.db2.gz ZRGRJPBLNYRGHM-YUMQZZPRSA-N -1 1 392.832 1.376 20 0 GDADMM Cc1cnoc1C(=O)N1C[C@@H]2C[C@H]1CN2c1snc(Cl)c1-c1nn[n-]n1 ZINC001571317942 946623942 /nfs/dbraw/zinc/62/39/42/946623942.db2.gz ZRGRJPBLNYRGHM-YUMQZZPRSA-N -1 1 392.832 1.376 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2C[C@@H](Nc3nc(-c4nn[n-]n4)c(Cl)s3)C2)n1C ZINC001571317851 946624217 /nfs/dbraw/zinc/62/42/17/946624217.db2.gz XHCCDBDUWACDDE-DTORHVGOSA-N -1 1 392.876 1.996 20 0 GDADMM c1cc(-c2nnn[n-]2)oc1Cn1c(-c2ccccn2)nnc1N1CC=CCC1 ZINC001573291886 946926840 /nfs/dbraw/zinc/92/68/40/946926840.db2.gz LQIQUUYPQWYDPD-UHFFFAOYSA-N -1 1 375.396 1.928 20 0 GDADMM c1cc(-c2nn[n-]n2)oc1Cn1c(-c2ccccn2)nnc1N1CC=CCC1 ZINC001573291886 946926850 /nfs/dbraw/zinc/92/68/50/946926850.db2.gz LQIQUUYPQWYDPD-UHFFFAOYSA-N -1 1 375.396 1.928 20 0 GDADMM C[C@@H]1C[C@H](C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)CCO1 ZINC000824868204 946961374 /nfs/dbraw/zinc/96/13/74/946961374.db2.gz UCWYPHPGQLPEHD-DGCLKSJQSA-N -1 1 387.444 1.196 20 0 GDADMM C[C@H]1CC[C@H](C(=O)OCC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)C1 ZINC000824908002 946988979 /nfs/dbraw/zinc/98/89/79/946988979.db2.gz MBECHDFPTINORB-STQMWFEESA-N -1 1 395.423 1.970 20 0 GDADMM C[C@H]1CC[C@H](C(=O)OCC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)C1 ZINC000824908002 946988985 /nfs/dbraw/zinc/98/89/85/946988985.db2.gz MBECHDFPTINORB-STQMWFEESA-N -1 1 395.423 1.970 20 0 GDADMM CCC1(C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CCOCC1 ZINC000825165113 947106958 /nfs/dbraw/zinc/10/69/58/947106958.db2.gz SQMCBXFWACLKKZ-UHFFFAOYSA-N -1 1 377.401 1.765 20 0 GDADMM CCOC(=O)[C@H](CCOC(C)(C)C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000825492122 947203936 /nfs/dbraw/zinc/20/39/36/947203936.db2.gz DEJDEGCWWYEQEY-JTQLQIEISA-N -1 1 381.458 1.795 20 0 GDADMM CCOC(=O)[C@H](CCOC(C)(C)C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000825492122 947203941 /nfs/dbraw/zinc/20/39/41/947203941.db2.gz DEJDEGCWWYEQEY-JTQLQIEISA-N -1 1 381.458 1.795 20 0 GDADMM C[C@H](C(=O)N(C)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccsc1 ZINC001573591542 947311820 /nfs/dbraw/zinc/31/18/20/947311820.db2.gz CPAQMCXGDCSOIY-AAEUAGOBSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@H](C(=O)N(C)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccsc1 ZINC001573591542 947311839 /nfs/dbraw/zinc/31/18/39/947311839.db2.gz CPAQMCXGDCSOIY-AAEUAGOBSA-N -1 1 384.469 1.559 20 0 GDADMM C=C/C(C)=C\CC(=O)N[C@]12CCC[C@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001573319284 947327603 /nfs/dbraw/zinc/32/76/03/947327603.db2.gz VKLCHRZTSHETPZ-OUTWLYGGSA-N -1 1 380.456 1.797 20 0 GDADMM C=C/C(C)=C\CC(=O)N[C@]12CCC[C@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001573319284 947327612 /nfs/dbraw/zinc/32/76/12/947327612.db2.gz VKLCHRZTSHETPZ-OUTWLYGGSA-N -1 1 380.456 1.797 20 0 GDADMM CCn1cnnc1-c1ccccc1NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825805140 947337011 /nfs/dbraw/zinc/33/70/11/947337011.db2.gz UNYWXNOOZJXAAK-UHFFFAOYSA-N -1 1 379.384 1.623 20 0 GDADMM CCn1cnnc1-c1ccccc1NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825805140 947337026 /nfs/dbraw/zinc/33/70/26/947337026.db2.gz UNYWXNOOZJXAAK-UHFFFAOYSA-N -1 1 379.384 1.623 20 0 GDADMM CN(C)C(=O)COc1ccccc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825846057 947344613 /nfs/dbraw/zinc/34/46/13/947344613.db2.gz QBPVHSZZPWBWHB-UHFFFAOYSA-N -1 1 382.380 1.292 20 0 GDADMM C[C@@H](C(=O)N(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)C(C)(F)F ZINC001573593078 947362233 /nfs/dbraw/zinc/36/22/33/947362233.db2.gz IHCQMHVWKIHKRR-ONGXEEELSA-N -1 1 380.403 1.019 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cncc2ccccc21 ZINC000825933343 947375218 /nfs/dbraw/zinc/37/52/18/947375218.db2.gz CBRYUCBGAQVHRD-UHFFFAOYSA-N -1 1 377.412 1.425 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cncc2ccccc21 ZINC000825933343 947375221 /nfs/dbraw/zinc/37/52/21/947375221.db2.gz CBRYUCBGAQVHRD-UHFFFAOYSA-N -1 1 377.412 1.425 20 0 GDADMM C[C@H](C(=O)N(C)[C@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)n1cccc1 ZINC001573593875 947379146 /nfs/dbraw/zinc/37/91/46/947379146.db2.gz MHHULWPPGPGRJE-TZMCWYRMSA-N -1 1 381.444 1.368 20 0 GDADMM C[C@H](C(=O)N(C)[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)n1cccc1 ZINC001573593875 947379159 /nfs/dbraw/zinc/37/91/59/947379159.db2.gz MHHULWPPGPGRJE-TZMCWYRMSA-N -1 1 381.444 1.368 20 0 GDADMM C[C@@H](C(=O)N(C)C1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cccs1 ZINC001573594969 947413545 /nfs/dbraw/zinc/41/35/45/947413545.db2.gz VGMWHAISEGMCMD-VOMCLLRMSA-N -1 1 384.469 1.923 20 0 GDADMM C[C@@H](C(=O)N(C)C1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cccs1 ZINC001573594969 947413553 /nfs/dbraw/zinc/41/35/53/947413553.db2.gz VGMWHAISEGMCMD-VOMCLLRMSA-N -1 1 384.469 1.923 20 0 GDADMM COC(=O)[C@@H](C)[C@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)c1ccccc1 ZINC000826099122 947426085 /nfs/dbraw/zinc/42/60/85/947426085.db2.gz YWZCSIOGWBHRRY-QFYYESIMSA-N -1 1 384.396 1.372 20 0 GDADMM COC(=O)[C@@H](C)[C@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)c1ccccc1 ZINC000826099122 947426093 /nfs/dbraw/zinc/42/60/93/947426093.db2.gz YWZCSIOGWBHRRY-QFYYESIMSA-N -1 1 384.396 1.372 20 0 GDADMM COCC[C@H](Cc1ccco1)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826154416 947485965 /nfs/dbraw/zinc/48/59/65/947485965.db2.gz OYQHTCGVMXHORL-LLVKDONJSA-N -1 1 395.416 1.525 20 0 GDADMM COCC[C@H](Cc1ccco1)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826154416 947485973 /nfs/dbraw/zinc/48/59/73/947485973.db2.gz OYQHTCGVMXHORL-LLVKDONJSA-N -1 1 395.416 1.525 20 0 GDADMM C[C@@H](C(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1)c1ccc(F)cc1F ZINC001573603635 947492024 /nfs/dbraw/zinc/49/20/24/947492024.db2.gz ITJXASRPFONWLO-SNVBAGLBSA-N -1 1 388.382 1.609 20 0 GDADMM C[C@@H](C(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1)c1ccc(F)cc1F ZINC001573603635 947492035 /nfs/dbraw/zinc/49/20/35/947492035.db2.gz ITJXASRPFONWLO-SNVBAGLBSA-N -1 1 388.382 1.609 20 0 GDADMM C=Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nnn[n-]2)cc1 ZINC001573352267 947631163 /nfs/dbraw/zinc/63/11/63/947631163.db2.gz ZYPFMAJOUOFZKB-IYBDPMFKSA-N -1 1 388.435 1.793 20 0 GDADMM C=Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nn[n-]n2)cc1 ZINC001573352267 947631169 /nfs/dbraw/zinc/63/11/69/947631169.db2.gz ZYPFMAJOUOFZKB-IYBDPMFKSA-N -1 1 388.435 1.793 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@H](C)N(C)c2nc(C)cc(-c3nnn[n-]3)n2)cc1 ZINC001573355421 947642672 /nfs/dbraw/zinc/64/26/72/947642672.db2.gz PFCUMUVPPUVIAC-ZDUSSCGKSA-N -1 1 378.440 1.863 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@H](C)N(C)c2nc(C)cc(-c3nn[n-]n3)n2)cc1 ZINC001573355421 947642681 /nfs/dbraw/zinc/64/26/81/947642681.db2.gz PFCUMUVPPUVIAC-ZDUSSCGKSA-N -1 1 378.440 1.863 20 0 GDADMM C=Cc1ccc(C(=O)NC2CC(CNc3nccnc3-c3nnn[n-]3)C2)cc1 ZINC001573355869 947644704 /nfs/dbraw/zinc/64/47/04/947644704.db2.gz RPFUHYFJYGGSIN-UHFFFAOYSA-N -1 1 376.424 1.920 20 0 GDADMM C=Cc1ccc(C(=O)NC2CC(CNc3nccnc3-c3nn[n-]n3)C2)cc1 ZINC001573355869 947644716 /nfs/dbraw/zinc/64/47/16/947644716.db2.gz RPFUHYFJYGGSIN-UHFFFAOYSA-N -1 1 376.424 1.920 20 0 GDADMM C=Cc1ccc(C(=O)N[C@H](C)CN(C)c2nc(C)cc(-c3nnn[n-]3)n2)cc1 ZINC001573355842 947645267 /nfs/dbraw/zinc/64/52/67/947645267.db2.gz QRLXEJGUDFHNBC-CYBMUJFWSA-N -1 1 378.440 1.863 20 0 GDADMM C=Cc1ccc(C(=O)N[C@H](C)CN(C)c2nc(C)cc(-c3nn[n-]n3)n2)cc1 ZINC001573355842 947645275 /nfs/dbraw/zinc/64/52/75/947645275.db2.gz QRLXEJGUDFHNBC-CYBMUJFWSA-N -1 1 378.440 1.863 20 0 GDADMM COc1ccccc1N1CCN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)CC1 ZINC000826220061 947652644 /nfs/dbraw/zinc/65/26/44/947652644.db2.gz AXRKSXUODXWJKS-UHFFFAOYSA-N -1 1 383.412 1.063 20 0 GDADMM COc1ccccc1N1CCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)CC1 ZINC000826220061 947652655 /nfs/dbraw/zinc/65/26/55/947652655.db2.gz AXRKSXUODXWJKS-UHFFFAOYSA-N -1 1 383.412 1.063 20 0 GDADMM CSCC[C@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826228717 947670187 /nfs/dbraw/zinc/67/01/87/947670187.db2.gz YBZJSKKUWWVLDI-VIFPVBQESA-N -1 1 380.478 1.015 20 0 GDADMM CSCC[C@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826228717 947670192 /nfs/dbraw/zinc/67/01/92/947670192.db2.gz YBZJSKKUWWVLDI-VIFPVBQESA-N -1 1 380.478 1.015 20 0 GDADMM C[C@H](C(=O)N1CCC(C)(Nc2ccnc(-c3nn[n-]n3)n2)CC1)C(F)(F)F ZINC001573619871 947672381 /nfs/dbraw/zinc/67/23/81/947672381.db2.gz XDXORDNJVQCELG-SECBINFHSA-N -1 1 384.366 1.070 20 0 GDADMM C/C(=C\C(=O)NCCC1CCN(c2nccnc2-c2nnn[n-]2)CC1)C1CC1 ZINC001573363936 947715768 /nfs/dbraw/zinc/71/57/68/947715768.db2.gz OJVOQIYYNNOVTB-OUKQBFOZSA-N -1 1 382.472 1.736 20 0 GDADMM C/C(=C\C(=O)NCCC1CCN(c2nccnc2-c2nn[n-]n2)CC1)C1CC1 ZINC001573363936 947715776 /nfs/dbraw/zinc/71/57/76/947715776.db2.gz OJVOQIYYNNOVTB-OUKQBFOZSA-N -1 1 382.472 1.736 20 0 GDADMM CC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1-c1nn[nH]n1)c1ccccc1F ZINC001573364489 947720315 /nfs/dbraw/zinc/72/03/15/947720315.db2.gz HBNSSHGXASNNMG-MRXNPFEDSA-N -1 1 389.412 1.923 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1)C(C)(F)F ZINC001573627693 947732991 /nfs/dbraw/zinc/73/29/91/947732991.db2.gz FCKLOSDGFWLRLQ-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1)C(C)(F)F ZINC001573627693 947732996 /nfs/dbraw/zinc/73/29/96/947732996.db2.gz FCKLOSDGFWLRLQ-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1)C(F)(F)F ZINC001573628094 947746031 /nfs/dbraw/zinc/74/60/31/947746031.db2.gz IMOWHWOASSUAEL-ZJUUUORDSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1)C(F)(F)F ZINC001573628094 947746039 /nfs/dbraw/zinc/74/60/39/947746039.db2.gz IMOWHWOASSUAEL-ZJUUUORDSA-N -1 1 384.366 1.648 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@@H]([C@@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573367399 947759004 /nfs/dbraw/zinc/75/90/04/947759004.db2.gz CJNUIWMTRLVLDH-ZIAGYGMSSA-N -1 1 386.460 1.373 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@@H]([C@@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573367399 947759010 /nfs/dbraw/zinc/75/90/10/947759010.db2.gz CJNUIWMTRLVLDH-ZIAGYGMSSA-N -1 1 386.460 1.373 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@@H](C)[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573369219 947772645 /nfs/dbraw/zinc/77/26/45/947772645.db2.gz RQTWZCLKDIXVSB-OCCSQVGLSA-N -1 1 386.460 1.313 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@@H](C)[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573369219 947772653 /nfs/dbraw/zinc/77/26/53/947772653.db2.gz RQTWZCLKDIXVSB-OCCSQVGLSA-N -1 1 386.460 1.313 20 0 GDADMM CC(=O)CCCC(=O)N1C[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C(C)(C)C1 ZINC001573369905 947777579 /nfs/dbraw/zinc/77/75/79/947777579.db2.gz ZHWKRFAIRLVZEY-CQSZACIVSA-N -1 1 386.460 1.373 20 0 GDADMM CC(=O)CCCC(=O)N1C[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC001573369905 947777589 /nfs/dbraw/zinc/77/75/89/947777589.db2.gz ZHWKRFAIRLVZEY-CQSZACIVSA-N -1 1 386.460 1.373 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001573372659 947781753 /nfs/dbraw/zinc/78/17/53/947781753.db2.gz BGPYYQKKHIUCQF-CQSZACIVSA-N -1 1 386.460 1.599 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001573372659 947781762 /nfs/dbraw/zinc/78/17/62/947781762.db2.gz BGPYYQKKHIUCQF-CQSZACIVSA-N -1 1 386.460 1.599 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1)C1CC1 ZINC001573629753 947784512 /nfs/dbraw/zinc/78/45/12/947784512.db2.gz VALBQHWUGWASJS-BFUOFWGJSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1)C1CC1 ZINC001573629753 947784516 /nfs/dbraw/zinc/78/45/16/947784516.db2.gz VALBQHWUGWASJS-BFUOFWGJSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccsc1 ZINC001573630135 947789113 /nfs/dbraw/zinc/78/91/13/947789113.db2.gz QXOWJGKVTISMKA-DGCLKSJQSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccsc1 ZINC001573630135 947789118 /nfs/dbraw/zinc/78/91/18/947789118.db2.gz QXOWJGKVTISMKA-DGCLKSJQSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1)c1cccnc1 ZINC001573630260 947790912 /nfs/dbraw/zinc/79/09/12/947790912.db2.gz XECFIOTZKDRKQZ-GXTWGEPZSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1)c1cccnc1 ZINC001573630260 947790919 /nfs/dbraw/zinc/79/09/19/947790919.db2.gz XECFIOTZKDRKQZ-GXTWGEPZSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccsc1 ZINC001573630696 947794138 /nfs/dbraw/zinc/79/41/38/947794138.db2.gz RQCGNPQXNSJHKC-DGCLKSJQSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccsc1 ZINC001573630696 947794151 /nfs/dbraw/zinc/79/41/51/947794151.db2.gz RQCGNPQXNSJHKC-DGCLKSJQSA-N -1 1 384.469 1.925 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CCC[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573374103 947804116 /nfs/dbraw/zinc/80/41/16/947804116.db2.gz HRBNBPDROARQMW-KBPBESRZSA-N -1 1 386.460 1.564 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CCC[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573374103 947804122 /nfs/dbraw/zinc/80/41/22/947804122.db2.gz HRBNBPDROARQMW-KBPBESRZSA-N -1 1 386.460 1.564 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1)C(C)(F)F ZINC001573632053 947808779 /nfs/dbraw/zinc/80/87/79/947808779.db2.gz YJWJGFOZNBWNOJ-TUAOUCFPSA-N -1 1 392.414 1.518 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1)C(C)(F)F ZINC001573632053 947808791 /nfs/dbraw/zinc/80/87/91/947808791.db2.gz YJWJGFOZNBWNOJ-TUAOUCFPSA-N -1 1 392.414 1.518 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](C)[C@H]1CCCNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573637629 947820204 /nfs/dbraw/zinc/82/02/04/947820204.db2.gz LGORZUDXGUMXAY-IIAWOOMASA-N -1 1 398.515 1.944 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cccnc1 ZINC001573637684 947822323 /nfs/dbraw/zinc/82/23/23/947822323.db2.gz MVAJEUCOJJGXSX-TZMCWYRMSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cccnc1 ZINC001573637684 947822328 /nfs/dbraw/zinc/82/23/28/947822328.db2.gz MVAJEUCOJJGXSX-TZMCWYRMSA-N -1 1 379.428 1.258 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573375625 947823798 /nfs/dbraw/zinc/82/37/98/947823798.db2.gz SKSQGUSNFCKDOE-CQSZACIVSA-N -1 1 386.460 1.457 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573375625 947823804 /nfs/dbraw/zinc/82/38/04/947823804.db2.gz SKSQGUSNFCKDOE-CQSZACIVSA-N -1 1 386.460 1.457 20 0 GDADMM CC(=O)CCCC(=O)N[C@H](C)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573376947 947846015 /nfs/dbraw/zinc/84/60/15/947846015.db2.gz FXUURJUWTWPUGY-ZIAGYGMSSA-N -1 1 386.460 1.137 20 0 GDADMM CC(=O)CCCC(=O)N[C@H](C)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573376947 947846026 /nfs/dbraw/zinc/84/60/26/947846026.db2.gz FXUURJUWTWPUGY-ZIAGYGMSSA-N -1 1 386.460 1.137 20 0 GDADMM CC(=O)CCCC(=O)N[C@H](C)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573377742 947853215 /nfs/dbraw/zinc/85/32/15/947853215.db2.gz SIGPEIPDMSODJB-ZIAGYGMSSA-N -1 1 386.460 1.137 20 0 GDADMM CC(=O)CCCC(=O)N[C@H](C)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573377742 947853221 /nfs/dbraw/zinc/85/32/21/947853221.db2.gz SIGPEIPDMSODJB-ZIAGYGMSSA-N -1 1 386.460 1.137 20 0 GDADMM CC(=O)CCCC(=O)NC[C@H](C)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001573380994 947868306 /nfs/dbraw/zinc/86/83/06/947868306.db2.gz MPBWOKORIWVLTN-QMMMGPOBSA-N -1 1 385.881 1.677 20 0 GDADMM CC(=O)CCCC(=O)NC[C@H](C)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001573380994 947868314 /nfs/dbraw/zinc/86/83/14/947868314.db2.gz MPBWOKORIWVLTN-QMMMGPOBSA-N -1 1 385.881 1.677 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](CNc2nccnc2-c2nnn[n-]2)[C@H](C)C1)C(C)(F)F ZINC001573648362 947906200 /nfs/dbraw/zinc/90/62/00/947906200.db2.gz YXDWBKCAMADFMX-OUAUKWLOSA-N -1 1 380.403 1.454 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](CNc2nccnc2-c2nn[n-]n2)[C@H](C)C1)C(C)(F)F ZINC001573648362 947906208 /nfs/dbraw/zinc/90/62/08/947906208.db2.gz YXDWBKCAMADFMX-OUAUKWLOSA-N -1 1 380.403 1.454 20 0 GDADMM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1)c1ccsc1 ZINC001573651715 947923432 /nfs/dbraw/zinc/92/34/32/947923432.db2.gz PVMBGPJLMZOTHR-DRZSPHRISA-N -1 1 382.453 1.311 20 0 GDADMM C[C@H](C(=O)N[C@](C)(CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1ccco1 ZINC001573652144 947931000 /nfs/dbraw/zinc/93/10/00/947931000.db2.gz BGOUNIGBCIZORP-BBATYDOGSA-N -1 1 382.428 1.172 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)c1cccs1 ZINC001573652304 947935607 /nfs/dbraw/zinc/93/56/07/947935607.db2.gz CFBLNQWWUCKSMX-CMPLNLGQSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)c1cccs1 ZINC001573652304 947935612 /nfs/dbraw/zinc/93/56/12/947935612.db2.gz CFBLNQWWUCKSMX-CMPLNLGQSA-N -1 1 384.469 1.829 20 0 GDADMM Cc1csc2ncc(C(=O)Nc3nn(C(C)(C)C)cc3-c3nn[n-]n3)c(=O)n12 ZINC000826320958 947938574 /nfs/dbraw/zinc/93/85/74/947938574.db2.gz LWIJGUGLCHSMRW-UHFFFAOYSA-N -1 1 399.440 1.448 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C(C)(C)C)C(F)(F)F ZINC001573653004 947949499 /nfs/dbraw/zinc/94/94/99/947949499.db2.gz IPDPXCZVVCONCS-SCZZXKLOSA-N -1 1 386.382 1.798 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C(C)(C)C)C(F)(F)F ZINC001573653004 947949508 /nfs/dbraw/zinc/94/95/08/947949508.db2.gz IPDPXCZVVCONCS-SCZZXKLOSA-N -1 1 386.382 1.798 20 0 GDADMM C[C@@H](C(=O)N[C@](C)(CNc1nccnc1-c1nnn[n-]1)C1CC1)C(C)(F)F ZINC001573653022 947950153 /nfs/dbraw/zinc/95/01/53/947950153.db2.gz IPVBLVBROACZRM-BJOHPYRUSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@@H](C(=O)N[C@](C)(CNc1nccnc1-c1nn[n-]n1)C1CC1)C(C)(F)F ZINC001573653022 947950164 /nfs/dbraw/zinc/95/01/64/947950164.db2.gz IPVBLVBROACZRM-BJOHPYRUSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@@H](C(=O)N[C@](C)(CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)C1CCCC1 ZINC001573654218 947963883 /nfs/dbraw/zinc/96/38/83/947963883.db2.gz PPRZNYIRVUGLAL-CWTRNNRKSA-N -1 1 384.488 1.602 20 0 GDADMM Cc1onc(CC(=O)N(C)CCCNC(=O)OC(C)(C)C)c1-c1nnn[n-]1 ZINC000826342848 947983508 /nfs/dbraw/zinc/98/35/08/947983508.db2.gz CANYSWOXNMHYKF-UHFFFAOYSA-N -1 1 379.421 1.079 20 0 GDADMM Cc1onc(CC(=O)N(C)CCCNC(=O)OC(C)(C)C)c1-c1nn[n-]n1 ZINC000826342848 947983515 /nfs/dbraw/zinc/98/35/15/947983515.db2.gz CANYSWOXNMHYKF-UHFFFAOYSA-N -1 1 379.421 1.079 20 0 GDADMM C[C@H](C(=O)N[C@@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccsc1 ZINC001573655997 947984290 /nfs/dbraw/zinc/98/42/90/947984290.db2.gz BCWYXDBDPQOXRF-GTNSWQLSSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)N[C@@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccsc1 ZINC001573655997 947984298 /nfs/dbraw/zinc/98/42/98/947984298.db2.gz BCWYXDBDPQOXRF-GTNSWQLSSA-N -1 1 384.469 1.607 20 0 GDADMM Cc1oc(NC(=O)COC(=O)c2cnn(C(C)C)c2N)c(-c2nn[n-]n2)c1C ZINC000826342711 947984469 /nfs/dbraw/zinc/98/44/69/947984469.db2.gz WVMDFSXYVNIKEZ-UHFFFAOYSA-N -1 1 388.388 1.232 20 0 GDADMM C[C@H](C(=O)NC1(C2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CC1)C1CC1 ZINC001573656214 947985932 /nfs/dbraw/zinc/98/59/32/947985932.db2.gz DLJKQRINIZGWGX-LBPRGKRZSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](C(=O)NC1(C2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CC1)C1CC1 ZINC001573656214 947985937 /nfs/dbraw/zinc/98/59/37/947985937.db2.gz DLJKQRINIZGWGX-LBPRGKRZSA-N -1 1 382.472 1.568 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@H]2CC(=O)c2ccccc2)c1-c1nnn[n-]1 ZINC000826344330 948005105 /nfs/dbraw/zinc/00/51/05/948005105.db2.gz DSHNUGFZTQREHK-AWEZNQCLSA-N -1 1 380.408 1.970 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@H]2CC(=O)c2ccccc2)c1-c1nn[n-]n1 ZINC000826344330 948005113 /nfs/dbraw/zinc/00/51/13/948005113.db2.gz DSHNUGFZTQREHK-AWEZNQCLSA-N -1 1 380.408 1.970 20 0 GDADMM Cc1onc(CC(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)c1-c1nnn[n-]1 ZINC000826344802 948013651 /nfs/dbraw/zinc/01/36/51/948013651.db2.gz SETFLTRFOOEIMO-CQSZACIVSA-N -1 1 388.815 1.959 20 0 GDADMM Cc1onc(CC(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)c1-c1nn[n-]n1 ZINC000826344802 948013655 /nfs/dbraw/zinc/01/36/55/948013655.db2.gz SETFLTRFOOEIMO-CQSZACIVSA-N -1 1 388.815 1.959 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2)C(C)(C)C ZINC001573661775 948020388 /nfs/dbraw/zinc/02/03/88/948020388.db2.gz AGCKMPALAIPXTQ-OCCSQVGLSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2)C(C)(C)C ZINC001573661775 948020397 /nfs/dbraw/zinc/02/03/97/948020397.db2.gz AGCKMPALAIPXTQ-OCCSQVGLSA-N -1 1 384.488 1.814 20 0 GDADMM Cc1onc(CC(=O)N[C@H](c2ccc3c(c2)OCCO3)C2CC2)c1-c1nnn[n-]1 ZINC000826345245 948020835 /nfs/dbraw/zinc/02/08/35/948020835.db2.gz HECQOHDBAHOOBZ-SFHVURJKSA-N -1 1 396.407 1.744 20 0 GDADMM Cc1onc(CC(=O)N[C@H](c2ccc3c(c2)OCCO3)C2CC2)c1-c1nn[n-]n1 ZINC000826345245 948020842 /nfs/dbraw/zinc/02/08/42/948020842.db2.gz HECQOHDBAHOOBZ-SFHVURJKSA-N -1 1 396.407 1.744 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2)c1-c1nnn[n-]1 ZINC000826345961 948033406 /nfs/dbraw/zinc/03/34/06/948033406.db2.gz ZAEUGVLVZVIOFA-AWEZNQCLSA-N -1 1 398.423 1.905 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2)c1-c1nn[n-]n1 ZINC000826345961 948033409 /nfs/dbraw/zinc/03/34/09/948033409.db2.gz ZAEUGVLVZVIOFA-AWEZNQCLSA-N -1 1 398.423 1.905 20 0 GDADMM C[C@@H](C(=O)NC1(CNc2cncc(-c3nnn[n-]3)n2)CCCC1)n1cccc1 ZINC001573663537 948040181 /nfs/dbraw/zinc/04/01/81/948040181.db2.gz NWJZMDCOOMAJQR-ZDUSSCGKSA-N -1 1 381.444 1.560 20 0 GDADMM C[C@@H](C(=O)NC1(CNc2cncc(-c3nn[n-]n3)n2)CCCC1)n1cccc1 ZINC001573663537 948040194 /nfs/dbraw/zinc/04/01/94/948040194.db2.gz NWJZMDCOOMAJQR-ZDUSSCGKSA-N -1 1 381.444 1.560 20 0 GDADMM Cc1onc(CC(=O)NC[C@H](C)Oc2ccc(Cl)cc2)c1-c1nnn[n-]1 ZINC000826346836 948046154 /nfs/dbraw/zinc/04/61/54/948046154.db2.gz WVGKFBBEUOYSIP-VIFPVBQESA-N -1 1 376.804 1.943 20 0 GDADMM Cc1onc(CC(=O)NC[C@H](C)Oc2ccc(Cl)cc2)c1-c1nn[n-]n1 ZINC000826346836 948046165 /nfs/dbraw/zinc/04/61/65/948046165.db2.gz WVGKFBBEUOYSIP-VIFPVBQESA-N -1 1 376.804 1.943 20 0 GDADMM Cc1onc(CC(=O)NCCNc2ccc(C(F)(F)F)cn2)c1-c1nnn[n-]1 ZINC000826347126 948049169 /nfs/dbraw/zinc/04/91/69/948049169.db2.gz FXUUKLAWZSWKDO-UHFFFAOYSA-N -1 1 396.333 1.348 20 0 GDADMM Cc1onc(CC(=O)NCCNc2ccc(C(F)(F)F)cn2)c1-c1nn[n-]n1 ZINC000826347126 948049176 /nfs/dbraw/zinc/04/91/76/948049176.db2.gz FXUUKLAWZSWKDO-UHFFFAOYSA-N -1 1 396.333 1.348 20 0 GDADMM Cc1onc(CC(=O)NCc2ccc(OCC(F)(F)F)nc2)c1-c1nnn[n-]1 ZINC000826347784 948061181 /nfs/dbraw/zinc/06/11/81/948061181.db2.gz FZYWJIQVRHEOKY-UHFFFAOYSA-N -1 1 397.317 1.358 20 0 GDADMM Cc1onc(CC(=O)NCc2ccc(OCC(F)(F)F)nc2)c1-c1nn[n-]n1 ZINC000826347784 948061190 /nfs/dbraw/zinc/06/11/90/948061190.db2.gz FZYWJIQVRHEOKY-UHFFFAOYSA-N -1 1 397.317 1.358 20 0 GDADMM C[C@@H](C(=O)NC1(CNc2nccnc2-c2nnn[n-]2)CCCC1)C(F)(F)F ZINC001573664957 948064270 /nfs/dbraw/zinc/06/42/70/948064270.db2.gz ZESIAVQEHCPGDF-VIFPVBQESA-N -1 1 384.366 1.696 20 0 GDADMM C[C@@H](C(=O)NC1(CNc2nccnc2-c2nn[n-]n2)CCCC1)C(F)(F)F ZINC001573664957 948064278 /nfs/dbraw/zinc/06/42/78/948064278.db2.gz ZESIAVQEHCPGDF-VIFPVBQESA-N -1 1 384.366 1.696 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cccc(F)c1 ZINC001573675142 948118638 /nfs/dbraw/zinc/11/86/38/948118638.db2.gz OZYQIUOEQTXNEC-RISCZKNCSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cccc(F)c1 ZINC001573675142 948118644 /nfs/dbraw/zinc/11/86/44/948118644.db2.gz OZYQIUOEQTXNEC-RISCZKNCSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1)n1cccc1 ZINC001573676228 948124794 /nfs/dbraw/zinc/12/47/94/948124794.db2.gz SPWDJBYSXHEKSU-ZJUUUORDSA-N -1 1 392.876 1.734 20 0 GDADMM C[C@H](C(=O)N[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C)C(C)(F)F ZINC001573677307 948134608 /nfs/dbraw/zinc/13/46/08/948134608.db2.gz CFCKIOYIEJEZAA-KOLCDFICSA-N -1 1 380.403 1.279 20 0 GDADMM C[C@H](C(=O)N[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C)C(C)(F)F ZINC001573677307 948134611 /nfs/dbraw/zinc/13/46/11/948134611.db2.gz CFCKIOYIEJEZAA-KOLCDFICSA-N -1 1 380.403 1.279 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C)C(F)(F)F ZINC001573677830 948141264 /nfs/dbraw/zinc/14/12/64/948141264.db2.gz FOUFQCIJFAGIRM-PSASIEDQSA-N -1 1 384.366 1.186 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C)C(F)(F)F ZINC001573677830 948141272 /nfs/dbraw/zinc/14/12/72/948141272.db2.gz FOUFQCIJFAGIRM-PSASIEDQSA-N -1 1 384.366 1.186 20 0 GDADMM C[C@@H](C(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1)c1ccccc1F ZINC001573679176 948158132 /nfs/dbraw/zinc/15/81/32/948158132.db2.gz JPPBPFILTMCKDS-NWDGAFQWSA-N -1 1 384.419 1.540 20 0 GDADMM C[C@@H](C(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1)c1ccccc1F ZINC001573679176 948158135 /nfs/dbraw/zinc/15/81/35/948158135.db2.gz JPPBPFILTMCKDS-NWDGAFQWSA-N -1 1 384.419 1.540 20 0 GDADMM CC(=O)N1CCC(CO[C@H]2CCN(c3snc(C)c3-c3nn[n-]n3)C2)CC1 ZINC001573432607 948191354 /nfs/dbraw/zinc/19/13/54/948191354.db2.gz DRIQRGPCCQRNLF-AWEZNQCLSA-N -1 1 391.501 1.485 20 0 GDADMM C[C@@H](CNC(=O)[C@@H](C)c1cccc(F)c1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001573680918 948191709 /nfs/dbraw/zinc/19/17/09/948191709.db2.gz SJHBTEQLQXRVSX-RYUDHWBXSA-N -1 1 384.419 1.540 20 0 GDADMM C[C@@H](CNC(=O)[C@@H](C)c1cccc(F)c1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001573680918 948191714 /nfs/dbraw/zinc/19/17/14/948191714.db2.gz SJHBTEQLQXRVSX-RYUDHWBXSA-N -1 1 384.419 1.540 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C)C(F)(F)F ZINC001573681098 948195378 /nfs/dbraw/zinc/19/53/78/948195378.db2.gz UIXPHTALXCMSGW-PSASIEDQSA-N -1 1 384.366 1.186 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C)C(F)(F)F ZINC001573681098 948195383 /nfs/dbraw/zinc/19/53/83/948195383.db2.gz UIXPHTALXCMSGW-PSASIEDQSA-N -1 1 384.366 1.186 20 0 GDADMM O=C([C@H]1CCCCS1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000826399017 948213431 /nfs/dbraw/zinc/21/34/31/948213431.db2.gz KMJILBOGZOUDSG-GFCCVEGCSA-N -1 1 389.485 1.666 20 0 GDADMM C[C@H](C(=O)NC[C@H](O)CNc1nc(-c2nn[n-]n2)c(Cl)s1)C(C)(C)C ZINC001573693288 948280978 /nfs/dbraw/zinc/28/09/78/948280978.db2.gz SFDXAFLPOPPHFY-SFYZADRCSA-N -1 1 387.897 1.548 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001573701484 948338996 /nfs/dbraw/zinc/33/89/96/948338996.db2.gz ALHWTIVCIJTHRR-UWVGGRQHSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573701484 948339001 /nfs/dbraw/zinc/33/90/01/948339001.db2.gz ALHWTIVCIJTHRR-UWVGGRQHSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001573701597 948341033 /nfs/dbraw/zinc/34/10/33/948341033.db2.gz BGTIKZNXPAUXDR-ZJUUUORDSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001573701597 948341039 /nfs/dbraw/zinc/34/10/39/948341039.db2.gz BGTIKZNXPAUXDR-ZJUUUORDSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573702631 948349705 /nfs/dbraw/zinc/34/97/05/948349705.db2.gz GGBHDELBMCCTOC-UWVGGRQHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1)c1ccco1 ZINC001573704208 948367233 /nfs/dbraw/zinc/36/72/33/948367233.db2.gz QNSKJIWDPAJCEE-QWHCGFSZSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1)c1ccco1 ZINC001573704208 948367239 /nfs/dbraw/zinc/36/72/39/948367239.db2.gz QNSKJIWDPAJCEE-QWHCGFSZSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCCO1)C(C)(C)C ZINC001573704785 948383539 /nfs/dbraw/zinc/38/35/39/948383539.db2.gz AMDKBMRBUKHUBH-CHWSQXEVSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCCO1)C(C)(C)C ZINC001573704785 948383549 /nfs/dbraw/zinc/38/35/49/948383549.db2.gz AMDKBMRBUKHUBH-CHWSQXEVSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCC1(F)F)C1CC1 ZINC001573705580 948404345 /nfs/dbraw/zinc/40/43/45/948404345.db2.gz GBTXJZZHICZYNZ-ZYHUDNBSSA-N -1 1 392.414 1.281 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCC1(F)F)C1CC1 ZINC001573705580 948404348 /nfs/dbraw/zinc/40/43/48/948404348.db2.gz GBTXJZZHICZYNZ-ZYHUDNBSSA-N -1 1 392.414 1.281 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1)C1CCC1 ZINC001573706287 948415194 /nfs/dbraw/zinc/41/51/94/948415194.db2.gz IBNVCGPQQJGPHA-TZMCWYRMSA-N -1 1 390.513 1.681 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1)C1CCC1 ZINC001573706286 948415468 /nfs/dbraw/zinc/41/54/68/948415468.db2.gz IBNVCGPQQJGPHA-OCCSQVGLSA-N -1 1 390.513 1.681 20 0 GDADMM C[C@@H](C(=O)NCC1CCN(c2nccnc2-c2nnn[n-]2)CC1)C1CCCC1 ZINC001573707531 948435253 /nfs/dbraw/zinc/43/52/53/948435253.db2.gz PUTKMMSQACXGNV-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NCC1CCN(c2nccnc2-c2nn[n-]n2)CC1)C1CCCC1 ZINC001573707531 948435260 /nfs/dbraw/zinc/43/52/60/948435260.db2.gz PUTKMMSQACXGNV-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCCO1)C(C)(C)C ZINC001573707986 948441473 /nfs/dbraw/zinc/44/14/73/948441473.db2.gz QORVYMADYLJSJT-CHWSQXEVSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@H](C(=O)NCCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C1CCC1 ZINC001573715469 948491782 /nfs/dbraw/zinc/49/17/82/948491782.db2.gz WPKQHPVQWGVNQJ-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NCCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C1CCC1 ZINC001573715469 948491786 /nfs/dbraw/zinc/49/17/86/948491786.db2.gz WPKQHPVQWGVNQJ-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1)c1ccsc1 ZINC001573717488 948507672 /nfs/dbraw/zinc/50/76/72/948507672.db2.gz CYPFTXIFEYUDCU-LLVKDONJSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1)c1ccsc1 ZINC001573717488 948507677 /nfs/dbraw/zinc/50/76/77/948507677.db2.gz CYPFTXIFEYUDCU-LLVKDONJSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)N[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1)c1ccc(F)cc1F ZINC001573732143 948599409 /nfs/dbraw/zinc/59/94/09/948599409.db2.gz LPDHJNYXBXXEIX-VHSXEESVSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@@H](C(=O)N[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1)c1ccc(F)cc1F ZINC001573732143 948599418 /nfs/dbraw/zinc/59/94/18/948599418.db2.gz LPDHJNYXBXXEIX-VHSXEESVSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@@H](C(=O)N[C@@H](C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C1CCC1 ZINC001573732056 948599635 /nfs/dbraw/zinc/59/96/35/948599635.db2.gz KNWAWVZIMPKDMD-OLZOCXBDSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)N[C@@H](C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C1CCC1 ZINC001573732056 948599645 /nfs/dbraw/zinc/59/96/45/948599645.db2.gz KNWAWVZIMPKDMD-OLZOCXBDSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573739227 948617502 /nfs/dbraw/zinc/61/75/02/948617502.db2.gz BDVVTDDJVSRINV-MYPMTAMASA-N -1 1 382.472 1.709 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C)c1cccs1 ZINC001573740443 948634506 /nfs/dbraw/zinc/63/45/06/948634506.db2.gz PGSOZBRPDRNJKK-NQBHXWOUSA-N -1 1 384.469 1.463 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C)c1cccs1 ZINC001573740443 948634511 /nfs/dbraw/zinc/63/45/11/948634511.db2.gz PGSOZBRPDRNJKK-NQBHXWOUSA-N -1 1 384.469 1.463 20 0 GDADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001573740789 948643280 /nfs/dbraw/zinc/64/32/80/948643280.db2.gz SRIDTBJXOCVFQX-CDLYGTGVSA-N -1 1 382.350 1.081 20 0 GDADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573740789 948643286 /nfs/dbraw/zinc/64/32/86/948643286.db2.gz SRIDTBJXOCVFQX-CDLYGTGVSA-N -1 1 382.350 1.081 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H](C)c1ccc(F)cc1F ZINC001573742600 948663191 /nfs/dbraw/zinc/66/31/91/948663191.db2.gz NENKKSKWDTXJBQ-NXEZZACHSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H](C)c1ccc(F)cc1F ZINC001573742600 948663196 /nfs/dbraw/zinc/66/31/96/948663196.db2.gz NENKKSKWDTXJBQ-NXEZZACHSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@H](CN=c1cc[nH]c(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)c1ccc(F)c(F)c1 ZINC001573742915 948664277 /nfs/dbraw/zinc/66/42/77/948664277.db2.gz TXUFEFHZYHOORC-ZJUUUORDSA-N -1 1 388.382 1.077 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H]1C)c1ccsc1 ZINC001573745113 948668737 /nfs/dbraw/zinc/66/87/37/948668737.db2.gz AYSYMYLBSZSBGM-WZRBSPASSA-N -1 1 384.469 1.605 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H]1C)c1ccsc1 ZINC001573745113 948668743 /nfs/dbraw/zinc/66/87/43/948668743.db2.gz AYSYMYLBSZSBGM-WZRBSPASSA-N -1 1 384.469 1.605 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C)c1ccsc1 ZINC001573745260 948670763 /nfs/dbraw/zinc/67/07/63/948670763.db2.gz DLZYTAZHJXPIRJ-LOWVWBTDSA-N -1 1 384.469 1.605 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C)c1ccsc1 ZINC001573745260 948670770 /nfs/dbraw/zinc/67/07/70/948670770.db2.gz DLZYTAZHJXPIRJ-LOWVWBTDSA-N -1 1 384.469 1.605 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1)c1ccsc1 ZINC001573746365 948680796 /nfs/dbraw/zinc/68/07/96/948680796.db2.gz JBIQBYBJRWKVLZ-GVXVVHGQSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1)c1ccsc1 ZINC001573746365 948680797 /nfs/dbraw/zinc/68/07/97/948680797.db2.gz JBIQBYBJRWKVLZ-GVXVVHGQSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)[C@H](C)C(C)(C)C ZINC001573746540 948684198 /nfs/dbraw/zinc/68/41/98/948684198.db2.gz KTOMPIAJQGUHAK-XJFOESAGSA-N -1 1 386.504 1.704 20 0 GDADMM C[C@@H](CNC(=O)CCc1ccc(F)cc1F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574914454 948748226 /nfs/dbraw/zinc/74/82/26/948748226.db2.gz KAUGEFYIBTZIJG-JTQLQIEISA-N -1 1 388.382 1.484 20 0 GDADMM C[C@@H](CNC(=O)CCc1ccc(F)cc1F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574914454 948748233 /nfs/dbraw/zinc/74/82/33/948748233.db2.gz KAUGEFYIBTZIJG-JTQLQIEISA-N -1 1 388.382 1.484 20 0 GDADMM CC(C)[C@H](F)C(=O)N1CC[C@]2(C1)CCCN(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001574075884 948749012 /nfs/dbraw/zinc/74/90/12/948749012.db2.gz ZSNDWXMLZLXMQW-MAUKXSAKSA-N -1 1 388.451 1.470 20 0 GDADMM CC(C)[C@H](F)C(=O)N1CC[C@]2(C1)CCCN(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001574075884 948749019 /nfs/dbraw/zinc/74/90/19/948749019.db2.gz ZSNDWXMLZLXMQW-MAUKXSAKSA-N -1 1 388.451 1.470 20 0 GDADMM C[C@@H](CNC(=O)CCc1cc(Cl)cs1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574914457 948749162 /nfs/dbraw/zinc/74/91/62/948749162.db2.gz KBFDKWVLUOUPBU-VIFPVBQESA-N -1 1 392.876 1.343 20 0 GDADMM CC(C)c1ccc(C(=O)N(C)[C@@H](C)CNc2ccnc(-c3nn[n-]n3)n2)nc1 ZINC001574416569 948752602 /nfs/dbraw/zinc/75/26/02/948752602.db2.gz YJBYTEXCCVIWAE-LBPRGKRZSA-N -1 1 381.444 1.170 20 0 GDADMM CC(F)(F)C1(C(=O)NCC2(Nc3nccnc3-c3nnn[n-]3)CCC2)CC1 ZINC001575222819 948760836 /nfs/dbraw/zinc/76/08/36/948760836.db2.gz LBLQTSYXPBNCEE-UHFFFAOYSA-N -1 1 378.387 1.543 20 0 GDADMM CC(F)(F)C1(C(=O)NCC2(Nc3nccnc3-c3nn[n-]n3)CCC2)CC1 ZINC001575222819 948760852 /nfs/dbraw/zinc/76/08/52/948760852.db2.gz LBLQTSYXPBNCEE-UHFFFAOYSA-N -1 1 378.387 1.543 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ncc(Cl)s1 ZINC001574679073 948766478 /nfs/dbraw/zinc/76/64/78/948766478.db2.gz MRWPILGFXMXNOD-ZETCQYMHSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ncc(Cl)s1 ZINC001574679073 948766480 /nfs/dbraw/zinc/76/64/80/948766480.db2.gz MRWPILGFXMXNOD-ZETCQYMHSA-N -1 1 379.837 1.387 20 0 GDADMM CC(C)[C@@H](F)C(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)C[C@H]1C ZINC001574079217 948766908 /nfs/dbraw/zinc/76/69/08/948766908.db2.gz CDJJDHAFTGITGY-NQMVMOMDSA-N -1 1 387.872 1.912 20 0 GDADMM CC(C)[C@@H](F)C(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)C[C@H]1C ZINC001574079217 948766917 /nfs/dbraw/zinc/76/69/17/948766917.db2.gz CDJJDHAFTGITGY-NQMVMOMDSA-N -1 1 387.872 1.912 20 0 GDADMM C[C@H](CNC(=O)CCc1cc(Cl)cs1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574915748 948770704 /nfs/dbraw/zinc/77/07/04/948770704.db2.gz XJQGILXMDGWMTR-SECBINFHSA-N -1 1 392.876 1.921 20 0 GDADMM C[C@H](CNC(=O)CCc1cc(Cl)cs1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574915748 948770716 /nfs/dbraw/zinc/77/07/16/948770716.db2.gz XJQGILXMDGWMTR-SECBINFHSA-N -1 1 392.876 1.921 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cnn(C(C)(C)C)c1 ZINC001574679200 948771279 /nfs/dbraw/zinc/77/12/79/948771279.db2.gz QEBUVAZNJLNCEX-LLVKDONJSA-N -1 1 384.448 1.229 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cnn(C(C)(C)C)c1 ZINC001574679200 948771291 /nfs/dbraw/zinc/77/12/91/948771291.db2.gz QEBUVAZNJLNCEX-LLVKDONJSA-N -1 1 384.448 1.229 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cc2c(o1)CCCC2 ZINC001574679417 948781273 /nfs/dbraw/zinc/78/12/73/948781273.db2.gz UYGKUXYWWDNFCW-NSHDSACASA-N -1 1 382.428 1.749 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cc2c(o1)CCCC2 ZINC001574679417 948781282 /nfs/dbraw/zinc/78/12/82/948781282.db2.gz UYGKUXYWWDNFCW-NSHDSACASA-N -1 1 382.428 1.749 20 0 GDADMM CC(C)c1ccccc1C(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574420242 948798690 /nfs/dbraw/zinc/79/86/90/948798690.db2.gz RTBZKVPALDUXIS-UHFFFAOYSA-N -1 1 378.440 1.743 20 0 GDADMM CC(C)c1ccccc1C(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574420242 948798697 /nfs/dbraw/zinc/79/86/97/948798697.db2.gz RTBZKVPALDUXIS-UHFFFAOYSA-N -1 1 378.440 1.743 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)CC[C@@H]1CC(C)(C)CO1 ZINC001574680098 948800721 /nfs/dbraw/zinc/80/07/21/948800721.db2.gz DGYRZEZRMITSPP-CHWSQXEVSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)CC[C@@H]1CC(C)(C)CO1 ZINC001574680098 948800737 /nfs/dbraw/zinc/80/07/37/948800737.db2.gz DGYRZEZRMITSPP-CHWSQXEVSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCCc1ccccc1 ZINC001574680155 948801142 /nfs/dbraw/zinc/80/11/42/948801142.db2.gz FIQHFYHJLKZOLE-CQSZACIVSA-N -1 1 380.456 1.986 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCCc1ccccc1 ZINC001574680155 948801170 /nfs/dbraw/zinc/80/11/70/948801170.db2.gz FIQHFYHJLKZOLE-CQSZACIVSA-N -1 1 380.456 1.986 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001574680856 948806860 /nfs/dbraw/zinc/80/68/60/948806860.db2.gz IXOABEXHRDSTPJ-KWCYVHTRSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001574680856 948806878 /nfs/dbraw/zinc/80/68/78/948806878.db2.gz IXOABEXHRDSTPJ-KWCYVHTRSA-N -1 1 379.428 1.162 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001575225914 948808949 /nfs/dbraw/zinc/80/89/49/948808949.db2.gz GQOSMPXAVKMQOR-INIZCTEOSA-N -1 1 378.387 1.131 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001575225914 948808962 /nfs/dbraw/zinc/80/89/62/948808962.db2.gz GQOSMPXAVKMQOR-INIZCTEOSA-N -1 1 378.387 1.131 20 0 GDADMM CC(C)c1ccoc1C(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574421047 948811613 /nfs/dbraw/zinc/81/16/13/948811613.db2.gz FBILXJQKUWINIX-BXUZGUMPSA-N -1 1 382.428 1.946 20 0 GDADMM CC(C)c1ccoc1C(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574421047 948811619 /nfs/dbraw/zinc/81/16/19/948811619.db2.gz FBILXJQKUWINIX-BXUZGUMPSA-N -1 1 382.428 1.946 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[C@H](C)c1ccncc1 ZINC001574681367 948818935 /nfs/dbraw/zinc/81/89/35/948818935.db2.gz MCFIBRLBICWHCE-STQMWFEESA-N -1 1 381.444 1.552 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[C@H](C)c1ccncc1 ZINC001574681367 948818958 /nfs/dbraw/zinc/81/89/58/948818958.db2.gz MCFIBRLBICWHCE-STQMWFEESA-N -1 1 381.444 1.552 20 0 GDADMM CC(F)(F)CC(=O)N1C[C@@H]2CCC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@@H]2C1 ZINC001575226597 948823556 /nfs/dbraw/zinc/82/35/56/948823556.db2.gz NWRFFSXHRXTOQW-QJPTWQEYSA-N -1 1 392.414 1.741 20 0 GDADMM CC(F)(F)CC(=O)N1C[C@@H]2CCC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@@H]2C1 ZINC001575226597 948823567 /nfs/dbraw/zinc/82/35/67/948823567.db2.gz NWRFFSXHRXTOQW-QJPTWQEYSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H](CNC(=O)CCCc1cccnc1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574918193 948837853 /nfs/dbraw/zinc/83/78/53/948837853.db2.gz HALVSSOECHOTPM-ZDUSSCGKSA-N -1 1 381.444 1.016 20 0 GDADMM C[C@@H](CNC(=O)CCCc1cccnc1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574918193 948837872 /nfs/dbraw/zinc/83/78/72/948837872.db2.gz HALVSSOECHOTPM-ZDUSSCGKSA-N -1 1 381.444 1.016 20 0 GDADMM C[C@@H](CNC(=O)CCCc1ccsc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574918223 948840498 /nfs/dbraw/zinc/84/04/98/948840498.db2.gz HPGYEUUTRDZUTH-LBPRGKRZSA-N -1 1 386.485 1.682 20 0 GDADMM C[C@@H](CNC(=O)CCCc1ccsc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574918223 948840516 /nfs/dbraw/zinc/84/05/16/948840516.db2.gz HPGYEUUTRDZUTH-LBPRGKRZSA-N -1 1 386.485 1.682 20 0 GDADMM CC(C)c1ccsc1C(=O)NC[C@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001574424304 948851268 /nfs/dbraw/zinc/85/12/68/948851268.db2.gz JJEJFMRKWSMLGH-SNVBAGLBSA-N -1 1 388.457 1.044 20 0 GDADMM CC(C)c1ccsc1C(=O)NC[C@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001574424304 948851297 /nfs/dbraw/zinc/85/12/97/948851297.db2.gz JJEJFMRKWSMLGH-SNVBAGLBSA-N -1 1 388.457 1.044 20 0 GDADMM CC(C)c1nc(C(=O)N[C@H](C)[C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)cs1 ZINC001574424604 948860831 /nfs/dbraw/zinc/86/08/31/948860831.db2.gz RHYOPLZIQWGWEM-NXEZZACHSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1nc(C(=O)N[C@H](C)[C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)cs1 ZINC001574424604 948860845 /nfs/dbraw/zinc/86/08/45/948860845.db2.gz RHYOPLZIQWGWEM-NXEZZACHSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1nc(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)cs1 ZINC001574424799 948864475 /nfs/dbraw/zinc/86/44/75/948864475.db2.gz VVXWEOSLCWIIRN-JTQLQIEISA-N -1 1 385.457 1.245 20 0 GDADMM CC(C)c1nc(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)cs1 ZINC001574424799 948864500 /nfs/dbraw/zinc/86/45/00/948864500.db2.gz VVXWEOSLCWIIRN-JTQLQIEISA-N -1 1 385.457 1.245 20 0 GDADMM CC(F)(F)CC(=O)NC[C@H]1CCCCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575233122 948882069 /nfs/dbraw/zinc/88/20/69/948882069.db2.gz HAQBHYUXFXBKIA-LLVKDONJSA-N -1 1 380.403 1.567 20 0 GDADMM CC(F)(F)CC(=O)NC[C@H]1CCCCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575233122 948882086 /nfs/dbraw/zinc/88/20/86/948882086.db2.gz HAQBHYUXFXBKIA-LLVKDONJSA-N -1 1 380.403 1.567 20 0 GDADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)c1ccncc1 ZINC001574684783 948889028 /nfs/dbraw/zinc/88/90/28/948889028.db2.gz MQEAJMPNBNMZCF-QMMMGPOBSA-N -1 1 378.849 1.992 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC[C@H]2[C@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001575234345 948899639 /nfs/dbraw/zinc/89/96/39/948899639.db2.gz BCNWOPYIHDXEQS-NWDGAFQWSA-N -1 1 392.414 1.662 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)s1 ZINC001574427618 948906807 /nfs/dbraw/zinc/90/68/07/948906807.db2.gz JLFAEKVWCHCYEH-AOOOYVTPSA-N -1 1 385.457 1.610 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)s1 ZINC001574427618 948906824 /nfs/dbraw/zinc/90/68/24/948906824.db2.gz JLFAEKVWCHCYEH-AOOOYVTPSA-N -1 1 385.457 1.610 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)[C@]1(C)CCOC1 ZINC001574685267 948908538 /nfs/dbraw/zinc/90/85/38/948908538.db2.gz ULPVLIGHWJIUIN-XLKFXECMSA-N -1 1 385.881 1.710 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)[C@]1(C)CCOC1 ZINC001574685267 948908555 /nfs/dbraw/zinc/90/85/55/948908555.db2.gz ULPVLIGHWJIUIN-XLKFXECMSA-N -1 1 385.881 1.710 20 0 GDADMM CC(C)(C(=O)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C1CCCC1 ZINC001573765413 948909318 /nfs/dbraw/zinc/90/93/18/948909318.db2.gz DJFPTEZPMVLESV-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)(C(=O)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C1CCCC1 ZINC001573765413 948909324 /nfs/dbraw/zinc/90/93/24/948909324.db2.gz DJFPTEZPMVLESV-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)C1CCOCC1 ZINC001574685457 948911145 /nfs/dbraw/zinc/91/11/45/948911145.db2.gz WTNLYRFQEFNYSR-QMMMGPOBSA-N -1 1 385.881 1.710 20 0 GDADMM CC(F)(F)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001575235185 948916721 /nfs/dbraw/zinc/91/67/21/948916721.db2.gz KNHXKXMNLIGVTF-PHIMTYICSA-N -1 1 378.387 1.272 20 0 GDADMM CC(F)(F)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001575235185 948916739 /nfs/dbraw/zinc/91/67/39/948916739.db2.gz KNHXKXMNLIGVTF-PHIMTYICSA-N -1 1 378.387 1.272 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)c1ccn(C)n1 ZINC001574685798 948923114 /nfs/dbraw/zinc/92/31/14/948923114.db2.gz ZVYZKDUMRSCKAX-SSDOTTSWSA-N -1 1 381.853 1.331 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)c1ccn(C)n1 ZINC001574685798 948923119 /nfs/dbraw/zinc/92/31/19/948923119.db2.gz ZVYZKDUMRSCKAX-SSDOTTSWSA-N -1 1 381.853 1.331 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CC[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001575235767 948925502 /nfs/dbraw/zinc/92/55/02/948925502.db2.gz YENISMTVGUKDTM-IJLUTSLNSA-N -1 1 392.414 1.423 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CC[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001575235767 948925517 /nfs/dbraw/zinc/92/55/17/948925517.db2.gz YENISMTVGUKDTM-IJLUTSLNSA-N -1 1 392.414 1.423 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001575235768 948926880 /nfs/dbraw/zinc/92/68/80/948926880.db2.gz YENISMTVGUKDTM-QJPTWQEYSA-N -1 1 392.414 1.423 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001575235768 948926883 /nfs/dbraw/zinc/92/68/83/948926883.db2.gz YENISMTVGUKDTM-QJPTWQEYSA-N -1 1 392.414 1.423 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)NC1CC2(C1)CC(Nc1cncc(-c3nnn[n-]3)n1)C2 ZINC001574088703 948931471 /nfs/dbraw/zinc/93/14/71/948931471.db2.gz DCCZPWIKCDTOBC-SPKCYCRISA-N -1 1 382.472 1.788 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)NC1CC2(C1)CC(Nc1cncc(-c3nn[n-]n3)n1)C2 ZINC001574088703 948931482 /nfs/dbraw/zinc/93/14/82/948931482.db2.gz DCCZPWIKCDTOBC-SPKCYCRISA-N -1 1 382.472 1.788 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cccnc1 ZINC001573766090 948932064 /nfs/dbraw/zinc/93/20/64/948932064.db2.gz ZUDOEQWPMWAHNS-ZDUSSCGKSA-N -1 1 379.428 1.042 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cccnc1 ZINC001573766090 948932076 /nfs/dbraw/zinc/93/20/76/948932076.db2.gz ZUDOEQWPMWAHNS-ZDUSSCGKSA-N -1 1 379.428 1.042 20 0 GDADMM CC(F)(F)CCC(=O)N[C@]12CCC[C@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001575236096 948934392 /nfs/dbraw/zinc/93/43/92/948934392.db2.gz VSAWMXQWLVAPQM-DIFFPNOSSA-N -1 1 392.414 1.710 20 0 GDADMM CC(F)(F)CCC(=O)N1C[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001575236202 948938494 /nfs/dbraw/zinc/93/84/94/948938494.db2.gz XRZYDYAMDHQRQN-NEPJUHHUSA-N -1 1 392.414 1.377 20 0 GDADMM CC(F)(F)CCC(=O)N1C[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001575236202 948938503 /nfs/dbraw/zinc/93/85/03/948938503.db2.gz XRZYDYAMDHQRQN-NEPJUHHUSA-N -1 1 392.414 1.377 20 0 GDADMM CC(C)(C(=O)NC1CC2(C1)CC(Nc1cnc(-c3nnn[n-]3)cn1)C2)C(F)F ZINC001573771276 948939386 /nfs/dbraw/zinc/93/93/86/948939386.db2.gz DZFBRBLFHKJZPM-UHFFFAOYSA-N -1 1 392.414 1.787 20 0 GDADMM CC(C)(C(=O)NC1CC2(C1)CC(Nc1cnc(-c3nn[n-]n3)cn1)C2)C(F)F ZINC001573771276 948939397 /nfs/dbraw/zinc/93/93/97/948939397.db2.gz DZFBRBLFHKJZPM-UHFFFAOYSA-N -1 1 392.414 1.787 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C ZINC001575236892 948941267 /nfs/dbraw/zinc/94/12/67/948941267.db2.gz BAGGMQXYOYDGPD-LLVKDONJSA-N -1 1 380.403 1.423 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C ZINC001575236892 948941276 /nfs/dbraw/zinc/94/12/76/948941276.db2.gz BAGGMQXYOYDGPD-LLVKDONJSA-N -1 1 380.403 1.423 20 0 GDADMM CC(C)(C(=O)N[C@H]1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573771859 948946487 /nfs/dbraw/zinc/94/64/87/948946487.db2.gz MPVAZUOVQVLPRN-OCCSQVGLSA-N -1 1 384.488 1.602 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCOCC1 ZINC001574089171 948946658 /nfs/dbraw/zinc/94/66/58/948946658.db2.gz GYNIRAOYKBDIDM-CHWSQXEVSA-N -1 1 386.460 1.026 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCOCC1 ZINC001574089171 948946672 /nfs/dbraw/zinc/94/66/72/948946672.db2.gz GYNIRAOYKBDIDM-CHWSQXEVSA-N -1 1 386.460 1.026 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C12CCC2 ZINC001575237832 948947211 /nfs/dbraw/zinc/94/72/11/948947211.db2.gz IKXOOJPZOYOERI-GHMZBOCLSA-N -1 1 392.414 1.931 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C12CCC2 ZINC001575237832 948947222 /nfs/dbraw/zinc/94/72/22/948947222.db2.gz IKXOOJPZOYOERI-GHMZBOCLSA-N -1 1 392.414 1.931 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573771860 948947474 /nfs/dbraw/zinc/94/74/74/948947474.db2.gz MPVAZUOVQVLPRN-TZMCWYRMSA-N -1 1 384.488 1.602 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575238401 948954390 /nfs/dbraw/zinc/95/43/90/948954390.db2.gz MIFNNGCMNYKKQL-QWRGUYRKSA-N -1 1 380.403 1.931 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575238401 948954401 /nfs/dbraw/zinc/95/44/01/948954401.db2.gz MIFNNGCMNYKKQL-QWRGUYRKSA-N -1 1 380.403 1.931 20 0 GDADMM CC(F)(F)CCC(=O)NC[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575238366 948954779 /nfs/dbraw/zinc/95/47/79/948954779.db2.gz LJGNKAISWIOMEM-NSHDSACASA-N -1 1 380.403 1.425 20 0 GDADMM CC(F)(F)CCC(=O)NC[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575238366 948954788 /nfs/dbraw/zinc/95/47/88/948954788.db2.gz LJGNKAISWIOMEM-NSHDSACASA-N -1 1 380.403 1.425 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)C(F)F ZINC001573772279 948955652 /nfs/dbraw/zinc/95/56/52/948955652.db2.gz SFQWKZGALHPUFQ-NXEZZACHSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)C(F)F ZINC001573772279 948955666 /nfs/dbraw/zinc/95/56/66/948955666.db2.gz SFQWKZGALHPUFQ-NXEZZACHSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N(C)[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001574433913 948971531 /nfs/dbraw/zinc/97/15/31/948971531.db2.gz VPWVKOSLYVUQFF-NSHDSACASA-N -1 1 384.448 1.086 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N(C)[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001574433913 948971543 /nfs/dbraw/zinc/97/15/43/948971543.db2.gz VPWVKOSLYVUQFF-NSHDSACASA-N -1 1 384.448 1.086 20 0 GDADMM CC(C)c1nnsc1C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574439449 949007315 /nfs/dbraw/zinc/00/73/15/949007315.db2.gz FAHZZPKWGXSVMO-DTORHVGOSA-N -1 1 386.445 1.005 20 0 GDADMM CC(C)c1nnsc1C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574439449 949007334 /nfs/dbraw/zinc/00/73/34/949007334.db2.gz FAHZZPKWGXSVMO-DTORHVGOSA-N -1 1 386.445 1.005 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)C1(C(F)F)CCCC1 ZINC001574691064 949009804 /nfs/dbraw/zinc/00/98/04/949009804.db2.gz SUCVPFUYOXOPML-JTQLQIEISA-N -1 1 380.403 1.789 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)C1(C(F)F)CCCC1 ZINC001574691064 949009814 /nfs/dbraw/zinc/00/98/14/949009814.db2.gz SUCVPFUYOXOPML-JTQLQIEISA-N -1 1 380.403 1.789 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@@H]1CCC(C)(C)CO1 ZINC001574691300 949022852 /nfs/dbraw/zinc/02/28/52/949022852.db2.gz WHTQROIGICULJE-STQMWFEESA-N -1 1 388.476 1.559 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@@H]1CCC(C)(C)CO1 ZINC001574691300 949022874 /nfs/dbraw/zinc/02/28/74/949022874.db2.gz WHTQROIGICULJE-STQMWFEESA-N -1 1 388.476 1.559 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccn(C(C)(C)C)n1 ZINC001574693179 949049663 /nfs/dbraw/zinc/04/96/63/949049663.db2.gz BLGZRYXKGVDIGI-NSHDSACASA-N -1 1 384.448 1.229 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccn(C(C)(C)C)n1 ZINC001574693179 949049686 /nfs/dbraw/zinc/04/96/86/949049686.db2.gz BLGZRYXKGVDIGI-NSHDSACASA-N -1 1 384.448 1.229 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)C(F)(F)F ZINC001573779693 949068711 /nfs/dbraw/zinc/06/87/11/949068711.db2.gz MHXJGLLKZAVUNT-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)C(F)(F)F ZINC001573779693 949068729 /nfs/dbraw/zinc/06/87/29/949068729.db2.gz MHXJGLLKZAVUNT-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC001573779889 949076583 /nfs/dbraw/zinc/07/65/83/949076583.db2.gz OUIRCPOWUMDNPW-HNNXBMFYSA-N -1 1 392.467 1.720 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC001573779889 949076603 /nfs/dbraw/zinc/07/66/03/949076603.db2.gz OUIRCPOWUMDNPW-HNNXBMFYSA-N -1 1 392.467 1.720 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001574441808 949078166 /nfs/dbraw/zinc/07/81/66/949078166.db2.gz XUUWEMYOVJFMQI-NSHDSACASA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001574441808 949078185 /nfs/dbraw/zinc/07/81/85/949078185.db2.gz XUUWEMYOVJFMQI-NSHDSACASA-N -1 1 383.416 1.167 20 0 GDADMM C[C@H](NC(=O)C1(C(F)(F)F)CCC1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575249018 949085448 /nfs/dbraw/zinc/08/54/48/949085448.db2.gz ALPXWNVIYNKYKV-IUCAKERBSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@H](NC(=O)C1(C(F)(F)F)CCC1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575249018 949085429 /nfs/dbraw/zinc/08/54/29/949085429.db2.gz ALPXWNVIYNKYKV-IUCAKERBSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)[C@@H]1CCCOC1 ZINC001574695201 949105526 /nfs/dbraw/zinc/10/55/26/949105526.db2.gz DYEVCOOLAZQJLE-DTWKUNHWSA-N -1 1 385.881 1.710 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@@H]1CCCOC1 ZINC001574695201 949105542 /nfs/dbraw/zinc/10/55/42/949105542.db2.gz DYEVCOOLAZQJLE-DTWKUNHWSA-N -1 1 385.881 1.710 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001574695216 949107902 /nfs/dbraw/zinc/10/79/02/949107902.db2.gz FGHLJHUKQDJYAY-AEGPPILISA-N -1 1 378.440 1.767 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001574695216 949107912 /nfs/dbraw/zinc/10/79/12/949107912.db2.gz FGHLJHUKQDJYAY-AEGPPILISA-N -1 1 378.440 1.767 20 0 GDADMM CC(C)c1nocc1C(=O)NCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001574443239 949109324 /nfs/dbraw/zinc/10/93/24/949109324.db2.gz WJOXMSKMECWUQI-UHFFFAOYSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1nocc1C(=O)NCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001574443239 949109337 /nfs/dbraw/zinc/10/93/37/949109337.db2.gz WJOXMSKMECWUQI-UHFFFAOYSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1occc1C(=O)NC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001574446360 949129728 /nfs/dbraw/zinc/12/97/28/949129728.db2.gz NKWTWKPUBNYMIW-CYBMUJFWSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1occc1C(=O)NC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001574446360 949129749 /nfs/dbraw/zinc/12/97/49/949129749.db2.gz NKWTWKPUBNYMIW-CYBMUJFWSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1occc1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574446376 949130231 /nfs/dbraw/zinc/13/02/31/949130231.db2.gz NSGXVGMKPBUECE-LBPRGKRZSA-N -1 1 382.428 1.772 20 0 GDADMM Cc1nnnn1-c1cc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)ccc1F ZINC000368539264 971551933 /nfs/dbraw/zinc/55/19/33/971551933.db2.gz PCJIOLSCLLUAHN-UHFFFAOYSA-N -1 1 381.345 1.510 20 0 GDADMM CC(C)[C@@H]1C[C@H](C(=O)NCC2(Nc3nccnc3-c3nnn[n-]3)CC2)CCO1 ZINC001574094455 949136048 /nfs/dbraw/zinc/13/60/48/949136048.db2.gz WEESPLNYPFZKLO-OLZOCXBDSA-N -1 1 386.460 1.169 20 0 GDADMM CC(C)[C@@H]1C[C@H](C(=O)NCC2(Nc3nccnc3-c3nn[n-]n3)CC2)CCO1 ZINC001574094455 949136060 /nfs/dbraw/zinc/13/60/60/949136060.db2.gz WEESPLNYPFZKLO-OLZOCXBDSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)C1CCOCC1 ZINC001574696817 949142372 /nfs/dbraw/zinc/14/23/72/949142372.db2.gz UZGWILRNJIPLBD-QMMMGPOBSA-N -1 1 385.881 1.710 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)C1CCOCC1 ZINC001574696817 949142387 /nfs/dbraw/zinc/14/23/87/949142387.db2.gz UZGWILRNJIPLBD-QMMMGPOBSA-N -1 1 385.881 1.710 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cnn(C2CCC2)c1 ZINC001574696851 949142685 /nfs/dbraw/zinc/14/26/85/949142685.db2.gz VRZDPHCFYYBHIX-NSHDSACASA-N -1 1 382.432 1.199 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cnn(C2CCC2)c1 ZINC001574696851 949142695 /nfs/dbraw/zinc/14/26/95/949142695.db2.gz VRZDPHCFYYBHIX-NSHDSACASA-N -1 1 382.432 1.199 20 0 GDADMM C[C@H](c1ccccc1)[N@@H+]1CCO[C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575514185 949163026 /nfs/dbraw/zinc/16/30/26/949163026.db2.gz BKMVUHQSIDTTNL-CZUORRHYSA-N -1 1 381.440 1.387 20 0 GDADMM C[C@H](c1ccccc1)[N@H+]1CCO[C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575514185 949163036 /nfs/dbraw/zinc/16/30/36/949163036.db2.gz BKMVUHQSIDTTNL-CZUORRHYSA-N -1 1 381.440 1.387 20 0 GDADMM C[C@H](c1ccccc1)[C@H](O)CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC001575514658 949170730 /nfs/dbraw/zinc/17/07/30/949170730.db2.gz DLPPHHDOQZPAOX-IAQYHMDHSA-N -1 1 391.428 1.449 20 0 GDADMM C[C@H]1CCC[C@]1(C)C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001576151216 949209746 /nfs/dbraw/zinc/20/97/46/949209746.db2.gz DQXKGGNWBOPLEI-SJCJKPOMSA-N -1 1 390.513 1.417 20 0 GDADMM CC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)c2sccc2F)CC1 ZINC001575853568 949212557 /nfs/dbraw/zinc/21/25/57/949212557.db2.gz SWMUFKZOFYPZEU-UHFFFAOYSA-N -1 1 388.432 1.964 20 0 GDADMM CC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)c2sccc2F)CC1 ZINC001575853568 949212586 /nfs/dbraw/zinc/21/25/86/949212586.db2.gz SWMUFKZOFYPZEU-UHFFFAOYSA-N -1 1 388.432 1.964 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(F)cc1Cl)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574936260 949215180 /nfs/dbraw/zinc/21/51/80/949215180.db2.gz JBLQGXXVDAISDQ-SECBINFHSA-N -1 1 390.810 1.609 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(F)cc1Cl)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574936260 949215198 /nfs/dbraw/zinc/21/51/98/949215198.db2.gz JBLQGXXVDAISDQ-SECBINFHSA-N -1 1 390.810 1.609 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)C1CC1)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575254769 949218724 /nfs/dbraw/zinc/21/87/24/949218724.db2.gz XRIHAFMSPCKHCJ-CHWSQXEVSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)C1CC1)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575254769 949218741 /nfs/dbraw/zinc/21/87/41/949218741.db2.gz XRIHAFMSPCKHCJ-CHWSQXEVSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H]1CCC[C@]1(C)C(=O)NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576151558 949228830 /nfs/dbraw/zinc/22/88/30/949228830.db2.gz GOKYCQJVEQZDBT-YJYMSZOUSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001574451694 949239742 /nfs/dbraw/zinc/23/97/42/949239742.db2.gz UTXPLPNZHLKHMP-GFCCVEGCSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001574451694 949239762 /nfs/dbraw/zinc/23/97/62/949239762.db2.gz UTXPLPNZHLKHMP-GFCCVEGCSA-N -1 1 383.416 1.389 20 0 GDADMM CC1(c2ccccc2C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575856305 949241989 /nfs/dbraw/zinc/24/19/89/949241989.db2.gz DXNSHDJWMCMPKP-ZDUSSCGKSA-N -1 1 390.451 1.457 20 0 GDADMM CC1(c2ccccc2C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CC1 ZINC001575856705 949252822 /nfs/dbraw/zinc/25/28/22/949252822.db2.gz IVQUURFVADILDW-UHFFFAOYSA-N -1 1 390.451 1.671 20 0 GDADMM CC1(c2ccccc2C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CC1 ZINC001575856705 949252842 /nfs/dbraw/zinc/25/28/42/949252842.db2.gz IVQUURFVADILDW-UHFFFAOYSA-N -1 1 390.451 1.671 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(F)cc1F)CNc1nccnc1-c1nnn[n-]1 ZINC001574938687 949252737 /nfs/dbraw/zinc/25/27/37/949252737.db2.gz ZAEGEDVADJWVEY-SNVBAGLBSA-N -1 1 388.382 1.342 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(F)cc1F)CNc1nccnc1-c1nn[n-]n1 ZINC001574938687 949252755 /nfs/dbraw/zinc/25/27/55/949252755.db2.gz ZAEGEDVADJWVEY-SNVBAGLBSA-N -1 1 388.382 1.342 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(F)c1F)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574940585 949269568 /nfs/dbraw/zinc/26/95/68/949269568.db2.gz HGGMWUWPWQIRBV-JTQLQIEISA-N -1 1 388.382 1.342 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(F)c1F)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574940585 949269589 /nfs/dbraw/zinc/26/95/89/949269589.db2.gz HGGMWUWPWQIRBV-JTQLQIEISA-N -1 1 388.382 1.342 20 0 GDADMM CC(C)n1cc(C(=O)N(C)CCCN(C)c2cncc(-c3nnn[n-]3)n2)cn1 ZINC001574452905 949273891 /nfs/dbraw/zinc/27/38/91/949273891.db2.gz RBHPDBHXMMRVFS-UHFFFAOYSA-N -1 1 384.448 1.033 20 0 GDADMM CC(C)n1cc(C(=O)N(C)CCCN(C)c2cncc(-c3nn[n-]n3)n2)cn1 ZINC001574452905 949273913 /nfs/dbraw/zinc/27/39/13/949273913.db2.gz RBHPDBHXMMRVFS-UHFFFAOYSA-N -1 1 384.448 1.033 20 0 GDADMM C[C@@H]1CCC[C@H](C(=O)NCCCN(c2nccnc2-c2nnn[n-]2)C2CC2)C1 ZINC001576153339 949286193 /nfs/dbraw/zinc/28/61/93/949286193.db2.gz LZKBCQTXEIBGTH-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCC[C@H](C(=O)NCCCN(c2nccnc2-c2nn[n-]n2)C2CC2)C1 ZINC001576153339 949286213 /nfs/dbraw/zinc/28/62/13/949286213.db2.gz LZKBCQTXEIBGTH-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(C2CC2)c1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574941194 949294338 /nfs/dbraw/zinc/29/43/38/949294338.db2.gz PEMFMCJHVBRLOJ-CYBMUJFWSA-N -1 1 392.467 1.941 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(C2CC2)c1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574941194 949294354 /nfs/dbraw/zinc/29/43/54/949294354.db2.gz PEMFMCJHVBRLOJ-CYBMUJFWSA-N -1 1 392.467 1.941 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@]1(C)CCc2ccccc21)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574702840 949295270 /nfs/dbraw/zinc/29/52/70/949295270.db2.gz MRDFASKIJPJOGT-RNODOKPDSA-N -1 1 392.467 1.242 20 0 GDADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCC(C)=C(Br)C1 ZINC001575860450 949301851 /nfs/dbraw/zinc/30/18/51/949301851.db2.gz IOAMWXDWJSWCSW-UHFFFAOYSA-N -1 1 379.218 1.791 20 0 GDADMM C[C@H](NC(=O)C1CC2(CC2)C1)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575258823 949313999 /nfs/dbraw/zinc/31/39/99/949313999.db2.gz KIGYVWMPRRSXLR-STQMWFEESA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](NC(=O)C1CC2(CC2)C1)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575258823 949314023 /nfs/dbraw/zinc/31/40/23/949314023.db2.gz KIGYVWMPRRSXLR-STQMWFEESA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccnc1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574941766 949319327 /nfs/dbraw/zinc/31/93/27/949319327.db2.gz SEAONKWFZNOOCL-QMMMGPOBSA-N -1 1 378.849 1.531 20 0 GDADMM C[C@H](NC(=O)C1CC(F)(F)C1)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575259443 949328890 /nfs/dbraw/zinc/32/88/90/949328890.db2.gz OLETWVRHFKSAIX-WDEREUQCSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@H](NC(=O)C1CC(F)(F)C1)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575259443 949328911 /nfs/dbraw/zinc/32/89/11/949328911.db2.gz OLETWVRHFKSAIX-WDEREUQCSA-N -1 1 392.414 1.423 20 0 GDADMM CC(C)(C)C(=O)N1CCCC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001573797054 949351395 /nfs/dbraw/zinc/35/13/95/949351395.db2.gz ZFYGFUJWQIUYJD-IBGZPJMESA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)(C)C(=O)N1CCCC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001573797054 949351417 /nfs/dbraw/zinc/35/14/17/949351417.db2.gz ZFYGFUJWQIUYJD-IBGZPJMESA-N -1 1 384.488 1.912 20 0 GDADMM C[C@@H](CN(C)C(=O)C1=CCOCC1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574703902 949356478 /nfs/dbraw/zinc/35/64/78/949356478.db2.gz HHCOIZDIBUKCKK-QMMMGPOBSA-N -1 1 383.865 1.582 20 0 GDADMM C[C@@H](CN(C)C(=O)C1=CCOCC1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574703902 949356507 /nfs/dbraw/zinc/35/65/07/949356507.db2.gz HHCOIZDIBUKCKK-QMMMGPOBSA-N -1 1 383.865 1.582 20 0 GDADMM CC(C)n1cccc1C(=O)N(C)C1CC(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574459490 949363238 /nfs/dbraw/zinc/36/32/38/949363238.db2.gz IIXCUDJHEGSMTP-UHFFFAOYSA-N -1 1 381.444 1.754 20 0 GDADMM CC(C)n1cccc1C(=O)N(C)C1CC(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574459490 949363259 /nfs/dbraw/zinc/36/32/59/949363259.db2.gz IIXCUDJHEGSMTP-UHFFFAOYSA-N -1 1 381.444 1.754 20 0 GDADMM C[C@@]1(C(=O)N2CC[C@@H](CCNc3cncc(-c4nnn[n-]4)n3)C2)CCCOC1 ZINC001575533880 949420436 /nfs/dbraw/zinc/42/04/36/949420436.db2.gz IYWUPPTXOZAAJS-FZKQIMNGSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@@]1(C(=O)N2CC[C@@H](CCNc3cncc(-c4nn[n-]n4)n3)C2)CCCOC1 ZINC001575533880 949420449 /nfs/dbraw/zinc/42/04/49/949420449.db2.gz IYWUPPTXOZAAJS-FZKQIMNGSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1nccnc1-c1nnn[n-]1)NC(=O)CC(C)(C)O ZINC001576155918 949423228 /nfs/dbraw/zinc/42/32/28/949423228.db2.gz KKFMWUXTBBHDMG-KZULUSFZSA-N -1 1 388.476 1.295 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1nccnc1-c1nn[n-]n1)NC(=O)CC(C)(C)O ZINC001576155918 949423238 /nfs/dbraw/zinc/42/32/38/949423238.db2.gz KKFMWUXTBBHDMG-KZULUSFZSA-N -1 1 388.476 1.295 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2(C(F)F)CCC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575866903 949424075 /nfs/dbraw/zinc/42/40/75/949424075.db2.gz IOVTWRGLZDPDRZ-GHMZBOCLSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2(C(F)F)CCC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575866903 949424085 /nfs/dbraw/zinc/42/40/85/949424085.db2.gz IOVTWRGLZDPDRZ-GHMZBOCLSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2(C(C)(F)F)CC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575866967 949425262 /nfs/dbraw/zinc/42/52/62/949425262.db2.gz ISXHPEXDRRCQHT-QWRGUYRKSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2(C(C)(F)F)CC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575866967 949425277 /nfs/dbraw/zinc/42/52/77/949425277.db2.gz ISXHPEXDRRCQHT-QWRGUYRKSA-N -1 1 392.414 1.566 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574465127 949427802 /nfs/dbraw/zinc/42/78/02/949427802.db2.gz PCSPXBKJWMCSMS-BETUJISGSA-N -1 1 381.444 1.082 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2(C(F)F)CC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575867332 949432146 /nfs/dbraw/zinc/43/21/46/949432146.db2.gz JFQHPTPODUOZFI-ZJUUUORDSA-N -1 1 378.387 1.176 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2(C(F)F)CC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575867332 949432156 /nfs/dbraw/zinc/43/21/56/949432156.db2.gz JFQHPTPODUOZFI-ZJUUUORDSA-N -1 1 378.387 1.176 20 0 GDADMM CC(C)n1cccc1C(=O)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574465679 949441780 /nfs/dbraw/zinc/44/17/80/949441780.db2.gz VSVCRDXJNNSKGL-UHFFFAOYSA-N -1 1 381.444 1.756 20 0 GDADMM CC(C)n1cccc1C(=O)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574465679 949441794 /nfs/dbraw/zinc/44/17/94/949441794.db2.gz VSVCRDXJNNSKGL-UHFFFAOYSA-N -1 1 381.444 1.756 20 0 GDADMM CC(C)n1ncc(C(=O)N[C@H](C)CNc2cncc(-c3nnn[n-]3)n2)c1Cl ZINC001574467954 949448001 /nfs/dbraw/zinc/44/80/01/949448001.db2.gz AQIPSBKSFBSPAV-SECBINFHSA-N -1 1 390.839 1.318 20 0 GDADMM CC(C)n1ncc(C(=O)N[C@H](C)CNc2cncc(-c3nn[n-]n3)n2)c1Cl ZINC001574467954 949448014 /nfs/dbraw/zinc/44/80/14/949448014.db2.gz AQIPSBKSFBSPAV-SECBINFHSA-N -1 1 390.839 1.318 20 0 GDADMM CC1(C(=O)N2C[C@@H]3CCC[C@H](Nc4nccnc4-c4nnn[n-]4)[C@@H]3C2)CCC1 ZINC001575535575 949448573 /nfs/dbraw/zinc/44/85/73/949448573.db2.gz YUZLCIWDMZUBKZ-MJBXVCDLSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(C(=O)N2C[C@@H]3CCC[C@H](Nc4nccnc4-c4nn[n-]n4)[C@@H]3C2)CCC1 ZINC001575535575 949448587 /nfs/dbraw/zinc/44/85/87/949448587.db2.gz YUZLCIWDMZUBKZ-MJBXVCDLSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(C(=O)N2CCC3(CC2)CCN(c2ccc(-c4nnn[n-]4)nn2)CC3)CC1 ZINC001575536541 949472696 /nfs/dbraw/zinc/47/26/96/949472696.db2.gz JGQONSASCZZJCP-UHFFFAOYSA-N -1 1 382.472 1.666 20 0 GDADMM CC1(C(=O)N2CCC3(CC2)CCN(c2ccc(-c4nn[n-]n4)nn2)CC3)CC1 ZINC001575536541 949472708 /nfs/dbraw/zinc/47/27/08/949472708.db2.gz JGQONSASCZZJCP-UHFFFAOYSA-N -1 1 382.472 1.666 20 0 GDADMM CC(C)n1nccc1C(=O)N(C)CCCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574469141 949473615 /nfs/dbraw/zinc/47/36/15/949473615.db2.gz XKYPPUXRKRDQBW-UHFFFAOYSA-N -1 1 384.448 1.033 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cc[nH]c1 ZINC001576157072 949474548 /nfs/dbraw/zinc/47/45/48/949474548.db2.gz PEJQCXGCMLVGBK-KZULUSFZSA-N -1 1 381.444 1.198 20 0 GDADMM CC(C)n1nccc1C(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001574469410 949479562 /nfs/dbraw/zinc/47/95/62/949479562.db2.gz CWHYACHYWMXCRN-LBPRGKRZSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1nccc1C(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001574469410 949479578 /nfs/dbraw/zinc/47/95/78/949479578.db2.gz CWHYACHYWMXCRN-LBPRGKRZSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@H]1[C@@H](CO)CCN1C(=O)Nc1ccc(Br)c(-c2nnn[n-]2)n1 ZINC001575870306 949486435 /nfs/dbraw/zinc/48/64/35/949486435.db2.gz UJIKONFQWZRRHO-JGVFFNPUSA-N -1 1 382.222 1.259 20 0 GDADMM C[C@H]1[C@@H](CO)CCN1C(=O)Nc1ccc(Br)c(-c2nn[n-]n2)n1 ZINC001575870306 949486446 /nfs/dbraw/zinc/48/64/46/949486446.db2.gz UJIKONFQWZRRHO-JGVFFNPUSA-N -1 1 382.222 1.259 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1ccc[nH]1 ZINC001576158128 949490282 /nfs/dbraw/zinc/49/02/82/949490282.db2.gz SEASBSGFZOGPST-XIKOKIGWSA-N -1 1 381.444 1.776 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ccc[nH]1 ZINC001576158128 949490295 /nfs/dbraw/zinc/49/02/95/949490295.db2.gz SEASBSGFZOGPST-XIKOKIGWSA-N -1 1 381.444 1.776 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCCO1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574708537 949494450 /nfs/dbraw/zinc/49/44/50/949494450.db2.gz WHIVHUCYCNMXAJ-IUCAKERBSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCCO1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574708537 949494461 /nfs/dbraw/zinc/49/44/61/949494461.db2.gz WHIVHUCYCNMXAJ-IUCAKERBSA-N -1 1 385.881 1.805 20 0 GDADMM CC(C)(C)C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1c1ccccc1 ZINC001573806523 949495057 /nfs/dbraw/zinc/49/50/57/949495057.db2.gz SAQYDYDPELTYLE-GOEBONIOSA-N -1 1 392.467 1.791 20 0 GDADMM C[C@@H](CC(=O)N(C)C1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574470334 949495171 /nfs/dbraw/zinc/49/51/71/949495171.db2.gz AZPBOEQLOKQACF-IDKOKCKLSA-N -1 1 384.366 1.068 20 0 GDADMM CC(C)(C)C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1c1ccccc1 ZINC001573806523 949495071 /nfs/dbraw/zinc/49/50/71/949495071.db2.gz SAQYDYDPELTYLE-GOEBONIOSA-N -1 1 392.467 1.791 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccc[nH]1 ZINC001576158445 949495866 /nfs/dbraw/zinc/49/58/66/949495866.db2.gz SUHRRQCOSDMDJZ-SGTLLEGYSA-N -1 1 381.444 1.776 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccc[nH]1 ZINC001576158445 949495876 /nfs/dbraw/zinc/49/58/76/949495876.db2.gz SUHRRQCOSDMDJZ-SGTLLEGYSA-N -1 1 381.444 1.776 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cocn1 ZINC001576159043 949510129 /nfs/dbraw/zinc/51/01/29/949510129.db2.gz WATOJQFDXVJXHF-APPDUMDISA-N -1 1 383.416 1.436 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cocn1 ZINC001576159043 949510145 /nfs/dbraw/zinc/51/01/45/949510145.db2.gz WATOJQFDXVJXHF-APPDUMDISA-N -1 1 383.416 1.436 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cn[nH]c1 ZINC001576159508 949519378 /nfs/dbraw/zinc/51/93/78/949519378.db2.gz XVNRDOCRIKDDAS-GTNSWQLSSA-N -1 1 382.432 1.171 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cn[nH]c1 ZINC001576159508 949519394 /nfs/dbraw/zinc/51/93/94/949519394.db2.gz XVNRDOCRIKDDAS-GTNSWQLSSA-N -1 1 382.432 1.171 20 0 GDADMM C[C@H]1CCC[C@@H]1CC(=O)NCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576159478 949520612 /nfs/dbraw/zinc/52/06/12/949520612.db2.gz XLRDPLJGGRXDBF-DZGCQCFKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H]1CCC[C@@H]1CC(=O)NCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576159478 949520627 /nfs/dbraw/zinc/52/06/27/949520627.db2.gz XLRDPLJGGRXDBF-DZGCQCFKSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)CC(=O)NC[C@H]1c2ccccc2CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001574122037 949520593 /nfs/dbraw/zinc/52/05/93/949520593.db2.gz TZLPPEGTFYKTRD-KRWDZBQOSA-N -1 1 392.467 1.923 20 0 GDADMM CC(C)CC(=O)NC[C@H]1c2ccccc2CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001574122037 949520610 /nfs/dbraw/zinc/52/06/10/949520610.db2.gz TZLPPEGTFYKTRD-KRWDZBQOSA-N -1 1 392.467 1.923 20 0 GDADMM CC1(C(=O)N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CC(F)(F)C1 ZINC001575538413 949523831 /nfs/dbraw/zinc/52/38/31/949523831.db2.gz GYBAAEBIZVFXBD-JTQLQIEISA-N -1 1 378.387 1.495 20 0 GDADMM CC1(C(=O)N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CC(F)(F)C1 ZINC001575538413 949523848 /nfs/dbraw/zinc/52/38/48/949523848.db2.gz GYBAAEBIZVFXBD-JTQLQIEISA-N -1 1 378.387 1.495 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2C(C)(C)C2(C)C)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575872170 949538090 /nfs/dbraw/zinc/53/80/90/949538090.db2.gz HAUSKKYUDCMCNB-NWDGAFQWSA-N -1 1 384.488 1.812 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2C(C)(C)C2(C)C)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575872170 949538106 /nfs/dbraw/zinc/53/81/06/949538106.db2.gz HAUSKKYUDCMCNB-NWDGAFQWSA-N -1 1 384.488 1.812 20 0 GDADMM CC1(C(=O)N2CCC[C@@H]([C@H]3CCN(c4ccnc(-c5nn[n-]n5)n4)C3)C2)CC1 ZINC001575539050 949538547 /nfs/dbraw/zinc/53/85/47/949538547.db2.gz LWAFUUHEVAGSMD-KGLIPLIRSA-N -1 1 382.472 1.522 20 0 GDADMM CC(C)CC(=O)NCc1ccc2c(c1)CN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001574123276 949552975 /nfs/dbraw/zinc/55/29/75/949552975.db2.gz QRIRDSNSDHAPAH-UHFFFAOYSA-N -1 1 378.440 1.839 20 0 GDADMM CC(C)CC(=O)NCc1ccc2c(c1)CN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001574123276 949552994 /nfs/dbraw/zinc/55/29/94/949552994.db2.gz QRIRDSNSDHAPAH-UHFFFAOYSA-N -1 1 378.440 1.839 20 0 GDADMM CC1(C(=O)N2CC[C@@H]3[C@H](CCN3c3nccnc3-c3nnn[n-]3)C2)CCCC1 ZINC001575540101 949562328 /nfs/dbraw/zinc/56/23/28/949562328.db2.gz UUAKELHPQGYWGA-ZIAGYGMSSA-N -1 1 382.472 1.664 20 0 GDADMM CC1(C(=O)N2CC[C@@H]3[C@H](CCN3c3nccnc3-c3nn[n-]n3)C2)CCCC1 ZINC001575540101 949562354 /nfs/dbraw/zinc/56/23/54/949562354.db2.gz UUAKELHPQGYWGA-ZIAGYGMSSA-N -1 1 382.472 1.664 20 0 GDADMM CC(C)CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1c1ccccc1 ZINC001574124113 949565849 /nfs/dbraw/zinc/56/58/49/949565849.db2.gz BYYKRKVJZMVTAX-JKSUJKDBSA-N -1 1 392.467 1.791 20 0 GDADMM C[C@]1(C(=O)N2CCC[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)CCCOC1 ZINC001575540274 949569362 /nfs/dbraw/zinc/56/93/62/949569362.db2.gz WHJDJGYXLUFCQQ-UGSOOPFHSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@]1(C(=O)N2CCC[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)CCCOC1 ZINC001575540274 949569377 /nfs/dbraw/zinc/56/93/77/949569377.db2.gz WHJDJGYXLUFCQQ-UGSOOPFHSA-N -1 1 386.460 1.124 20 0 GDADMM CC(C)C[C@H](C(=O)NC[C@@H](C)Nc1nccnc1-c1nnn[n-]1)n1ccnc1 ZINC001574125022 949581606 /nfs/dbraw/zinc/58/16/06/949581606.db2.gz NIZJLMDYPBPMCZ-CHWSQXEVSA-N -1 1 384.448 1.057 20 0 GDADMM CC(C)C[C@H](C(=O)NC[C@@H](C)Nc1nccnc1-c1nn[n-]n1)n1ccnc1 ZINC001574125022 949581627 /nfs/dbraw/zinc/58/16/27/949581627.db2.gz NIZJLMDYPBPMCZ-CHWSQXEVSA-N -1 1 384.448 1.057 20 0 GDADMM CC1(C(=O)N2CCCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)CC(F)(F)C1 ZINC001575544509 949587174 /nfs/dbraw/zinc/58/71/74/949587174.db2.gz DTFYLZNRILRIIJ-LLVKDONJSA-N -1 1 392.414 1.307 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2C=CC=CC=C2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575873740 949587353 /nfs/dbraw/zinc/58/73/53/949587353.db2.gz PXXOGKXNTQHCRY-UKRRQHHQSA-N -1 1 378.440 1.429 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2C=CC=CC=C2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575873740 949587370 /nfs/dbraw/zinc/58/73/70/949587370.db2.gz PXXOGKXNTQHCRY-UKRRQHHQSA-N -1 1 378.440 1.429 20 0 GDADMM CC(C)C[C@H](C(=O)N[C@@H](C)CNc1nccnc1-c1nnn[n-]1)n1ccnc1 ZINC001574125840 949596185 /nfs/dbraw/zinc/59/61/85/949596185.db2.gz TYWZCRWXIFDERY-QWHCGFSZSA-N -1 1 384.448 1.057 20 0 GDADMM CC(C)C[C@H](C(=O)N[C@@H](C)CNc1nccnc1-c1nn[n-]n1)n1ccnc1 ZINC001574125840 949596206 /nfs/dbraw/zinc/59/62/06/949596206.db2.gz TYWZCRWXIFDERY-QWHCGFSZSA-N -1 1 384.448 1.057 20 0 GDADMM C[C@@]1(C(=O)N2CCCCC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)CCOC1 ZINC001575546060 949606387 /nfs/dbraw/zinc/60/63/87/949606387.db2.gz OOZCDCFBKWVAOK-SCLBCKFNSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@@]1(C(=O)N2CCCCC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)CCOC1 ZINC001575546060 949606396 /nfs/dbraw/zinc/60/63/96/949606396.db2.gz OOZCDCFBKWVAOK-SCLBCKFNSA-N -1 1 386.460 1.266 20 0 GDADMM CC1(C(=O)N2CCCC[C@H]2CNc2cnc(-c3nnn[n-]3)cn2)CC(F)(F)C1 ZINC001575547310 949627081 /nfs/dbraw/zinc/62/70/81/949627081.db2.gz XCIOFCYVRZNXSQ-NSHDSACASA-N -1 1 392.414 1.885 20 0 GDADMM CC1(C(=O)N2CCCC[C@H]2CNc2cnc(-c3nn[n-]n3)cn2)CC(F)(F)C1 ZINC001575547310 949627097 /nfs/dbraw/zinc/62/70/97/949627097.db2.gz XCIOFCYVRZNXSQ-NSHDSACASA-N -1 1 392.414 1.885 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574957798 949632049 /nfs/dbraw/zinc/63/20/49/949632049.db2.gz IQZRBTVIYLLREJ-WQVCFCJDSA-N -1 1 392.467 1.435 20 0 GDADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H](C)NC(=O)CCCC1CCOCC1 ZINC001575272301 949637257 /nfs/dbraw/zinc/63/72/57/949637257.db2.gz ORKADXWAZAENOJ-OLZOCXBDSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)CCCC1CCOCC1 ZINC001575272301 949637266 /nfs/dbraw/zinc/63/72/66/949637266.db2.gz ORKADXWAZAENOJ-OLZOCXBDSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2C=CC=CC=C2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576168784 949649670 /nfs/dbraw/zinc/64/96/70/949649670.db2.gz WBHSPFRFECCKER-RHSMWYFYSA-N -1 1 392.467 1.994 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2C=CC=CC=C2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576168784 949649677 /nfs/dbraw/zinc/64/96/77/949649677.db2.gz WBHSPFRFECCKER-RHSMWYFYSA-N -1 1 392.467 1.994 20 0 GDADMM C[C@H]1CCCC[C@@H]1CC(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001576168846 949649703 /nfs/dbraw/zinc/64/97/03/949649703.db2.gz GZBMOXPWBAWMNR-ZZRRNANISA-N -1 1 382.472 1.424 20 0 GDADMM C[C@H]1CCCC[C@@H]1CC(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001576168846 949649708 /nfs/dbraw/zinc/64/97/08/949649708.db2.gz GZBMOXPWBAWMNR-ZZRRNANISA-N -1 1 382.472 1.424 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2CCOCC2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576168828 949649728 /nfs/dbraw/zinc/64/97/28/949649728.db2.gz WEBNLPPNBPZNMB-IUODEOHRSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2CCOCC2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576168828 949649736 /nfs/dbraw/zinc/64/97/36/949649736.db2.gz WEBNLPPNBPZNMB-IUODEOHRSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H]1CCCC[C@H]1CC(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001576168836 949650141 /nfs/dbraw/zinc/65/01/41/949650141.db2.gz GZBMOXPWBAWMNR-BNIMDDLWSA-N -1 1 382.472 1.424 20 0 GDADMM C[C@H]1CCCC[C@H]1CC(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001576168836 949650153 /nfs/dbraw/zinc/65/01/53/949650153.db2.gz GZBMOXPWBAWMNR-BNIMDDLWSA-N -1 1 382.472 1.424 20 0 GDADMM C[C@H](CNC(=O)[C@H](C)OCc1ccccc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574958191 949655729 /nfs/dbraw/zinc/65/57/29/949655729.db2.gz NNHWLSBGWCAISC-OLZOCXBDSA-N -1 1 382.428 1.179 20 0 GDADMM C[C@H](CNC(=O)[C@H](C)OCc1ccccc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574958191 949655741 /nfs/dbraw/zinc/65/57/41/949655741.db2.gz NNHWLSBGWCAISC-OLZOCXBDSA-N -1 1 382.428 1.179 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CCc2ccco2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575877240 949659570 /nfs/dbraw/zinc/65/95/70/949659570.db2.gz LEGBYUPGXZECMU-OCCSQVGLSA-N -1 1 382.428 1.356 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CCc2ccco2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575877240 949659586 /nfs/dbraw/zinc/65/95/86/949659586.db2.gz LEGBYUPGXZECMU-OCCSQVGLSA-N -1 1 382.428 1.356 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CCn2cccc2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575877355 949663585 /nfs/dbraw/zinc/66/35/85/949663585.db2.gz LWGQDKASQYVOMU-KBPBESRZSA-N -1 1 381.444 1.022 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CCn2cccc2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575877355 949663598 /nfs/dbraw/zinc/66/35/98/949663598.db2.gz LWGQDKASQYVOMU-KBPBESRZSA-N -1 1 381.444 1.022 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cc(Cl)c[nH]1 ZINC001573815965 949664478 /nfs/dbraw/zinc/66/44/78/949664478.db2.gz MYLCVJWFAMQDFG-LBPRGKRZSA-N -1 1 389.851 1.895 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cc(Cl)c[nH]1 ZINC001573815965 949664492 /nfs/dbraw/zinc/66/44/92/949664492.db2.gz MYLCVJWFAMQDFG-LBPRGKRZSA-N -1 1 389.851 1.895 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@@H]1CCC(C)(C)CO1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574715839 949670089 /nfs/dbraw/zinc/67/00/89/949670089.db2.gz LHTFNVWHYLIXPL-OLZOCXBDSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@@H]1CCC(C)(C)CO1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574715839 949670099 /nfs/dbraw/zinc/67/00/99/949670099.db2.gz LHTFNVWHYLIXPL-OLZOCXBDSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](NC(=O)CCCC1CCOCC1)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575273775 949672744 /nfs/dbraw/zinc/67/27/44/949672744.db2.gz XZAFOBYNUMBFBG-CHWSQXEVSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@@H](NC(=O)CCCC1CCOCC1)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575273775 949672761 /nfs/dbraw/zinc/67/27/61/949672761.db2.gz XZAFOBYNUMBFBG-CHWSQXEVSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1ccc(=O)[nH]c1 ZINC001573816208 949673966 /nfs/dbraw/zinc/67/39/66/949673966.db2.gz QAWQSLKQLCLDAZ-GFCCVEGCSA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ccc(=O)[nH]c1 ZINC001573816208 949673984 /nfs/dbraw/zinc/67/39/84/949673984.db2.gz QAWQSLKQLCLDAZ-GFCCVEGCSA-N -1 1 383.416 1.014 20 0 GDADMM C[C@H]1[C@H](NC(=O)CCc2ccccc2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575878181 949676568 /nfs/dbraw/zinc/67/65/68/949676568.db2.gz NROMCKXXHXKZMP-GOEBONIOSA-N -1 1 392.467 1.763 20 0 GDADMM C[C@H]1[C@H](NC(=O)CCc2ccccc2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575878181 949676578 /nfs/dbraw/zinc/67/65/78/949676578.db2.gz NROMCKXXHXKZMP-GOEBONIOSA-N -1 1 392.467 1.763 20 0 GDADMM C[C@H](CNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574958607 949678397 /nfs/dbraw/zinc/67/83/97/949678397.db2.gz UMFVFQQCNLVYIA-AGKSTNPPSA-N -1 1 392.467 1.437 20 0 GDADMM CC1(C(=O)N2C[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]3C2)CCCCC1 ZINC001575552796 949682694 /nfs/dbraw/zinc/68/26/94/949682694.db2.gz JGOKLFBPDOODHP-OKILXGFUSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C(=O)N2C[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]3C2)CCCCC1 ZINC001575552796 949682706 /nfs/dbraw/zinc/68/27/06/949682706.db2.gz JGOKLFBPDOODHP-OKILXGFUSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574958623 949682846 /nfs/dbraw/zinc/68/28/46/949682846.db2.gz LPGNUHPBLYZJBT-AEGPPILISA-N -1 1 378.440 1.401 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@](C)(O)C1CC1 ZINC001573816655 949683926 /nfs/dbraw/zinc/68/39/26/949683926.db2.gz TWDGUSSWVDRTCZ-UGSOOPFHSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@](C)(O)C1CC1 ZINC001573816655 949683940 /nfs/dbraw/zinc/68/39/40/949683940.db2.gz TWDGUSSWVDRTCZ-UGSOOPFHSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCc1ccoc1 ZINC001573817748 949703758 /nfs/dbraw/zinc/70/37/58/949703758.db2.gz ANYZETYFAMVLAX-AWEZNQCLSA-N -1 1 384.444 1.825 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCc1ccoc1 ZINC001573817748 949703774 /nfs/dbraw/zinc/70/37/74/949703774.db2.gz ANYZETYFAMVLAX-AWEZNQCLSA-N -1 1 384.444 1.825 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574959090 949704816 /nfs/dbraw/zinc/70/48/16/949704816.db2.gz YOULGCPZIGIMSO-SPKLELGKSA-N -1 1 378.440 1.551 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574959090 949704819 /nfs/dbraw/zinc/70/48/19/949704819.db2.gz YOULGCPZIGIMSO-SPKLELGKSA-N -1 1 378.440 1.551 20 0 GDADMM C[C@H](CNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574959100 949705867 /nfs/dbraw/zinc/70/58/67/949705867.db2.gz YXZMXDUUCMKXPB-TVZGQMOCSA-N -1 1 378.440 1.767 20 0 GDADMM C[C@H](CNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574959100 949705885 /nfs/dbraw/zinc/70/58/85/949705885.db2.gz YXZMXDUUCMKXPB-TVZGQMOCSA-N -1 1 378.440 1.767 20 0 GDADMM C[C@H](CC(=O)N(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001574478411 949707512 /nfs/dbraw/zinc/70/75/12/949707512.db2.gz ZCEIBSKZQLGCGH-ZJUUUORDSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@H](CC(=O)N(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001574478411 949707525 /nfs/dbraw/zinc/70/75/25/949707525.db2.gz ZCEIBSKZQLGCGH-ZJUUUORDSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H](CC(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)c1ccccc1 ZINC001574478827 949721757 /nfs/dbraw/zinc/72/17/57/949721757.db2.gz BBSKRZJSYUXBSF-AWEZNQCLSA-N -1 1 392.467 1.675 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N1CC[C@@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574134712 949722031 /nfs/dbraw/zinc/72/20/31/949722031.db2.gz IOODVQZKGIVQHG-HUUCEWRRSA-N -1 1 386.504 1.801 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574960210 949722835 /nfs/dbraw/zinc/72/28/35/949722835.db2.gz VPQJPTUVKSNJFS-UJNFCWOMSA-N -1 1 381.893 1.964 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C1(F)CCOCC1 ZINC001573818286 949726051 /nfs/dbraw/zinc/72/60/51/949726051.db2.gz JXDSQPVWXMRQGE-LBPRGKRZSA-N -1 1 392.439 1.118 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C1(F)CCOCC1 ZINC001573818286 949726063 /nfs/dbraw/zinc/72/60/63/949726063.db2.gz JXDSQPVWXMRQGE-LBPRGKRZSA-N -1 1 392.439 1.118 20 0 GDADMM C[C@H](CC(=O)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1)[C@@H]1CCCO1 ZINC001574479069 949726755 /nfs/dbraw/zinc/72/67/55/949726755.db2.gz CJYVJLZLJQISEO-DOMZBBRYSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H](CC(=O)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1)[C@@H]1CCCO1 ZINC001574479069 949726765 /nfs/dbraw/zinc/72/67/65/949726765.db2.gz CJYVJLZLJQISEO-DOMZBBRYSA-N -1 1 386.460 1.265 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CC[C@H]1CCCO1 ZINC001573818253 949727319 /nfs/dbraw/zinc/72/73/19/949727319.db2.gz JBTRGWOBCMHAHE-OCCSQVGLSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CC[C@H]1CCCO1 ZINC001573818253 949727340 /nfs/dbraw/zinc/72/73/40/949727340.db2.gz JBTRGWOBCMHAHE-OCCSQVGLSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H](CC(=O)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1)n1cccc1 ZINC001574480181 949745188 /nfs/dbraw/zinc/74/51/88/949745188.db2.gz HGVOBIIVXAHKPE-CYBMUJFWSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@H](CC(=O)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1)n1cccc1 ZINC001574480181 949745199 /nfs/dbraw/zinc/74/51/99/949745199.db2.gz HGVOBIIVXAHKPE-CYBMUJFWSA-N -1 1 381.444 1.512 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccc(F)cn1 ZINC001573818948 949746274 /nfs/dbraw/zinc/74/62/74/949746274.db2.gz PJMGQHCOUGXYIV-ZDUSSCGKSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccc(F)cn1 ZINC001573818948 949746285 /nfs/dbraw/zinc/74/62/85/949746285.db2.gz PJMGQHCOUGXYIV-ZDUSSCGKSA-N -1 1 385.407 1.447 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001574480860 949759229 /nfs/dbraw/zinc/75/92/29/949759229.db2.gz KSHRSDKFRHBBPA-VHSXEESVSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001574480860 949759251 /nfs/dbraw/zinc/75/92/51/949759251.db2.gz KSHRSDKFRHBBPA-VHSXEESVSA-N -1 1 384.366 1.506 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CC[C@@H]1CCCO1 ZINC001573819820 949759303 /nfs/dbraw/zinc/75/93/03/949759303.db2.gz VUSJFRCHLARKEA-JSGCOSHPSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CC[C@@H]1CCCO1 ZINC001573819820 949759326 /nfs/dbraw/zinc/75/93/26/949759326.db2.gz VUSJFRCHLARKEA-JSGCOSHPSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574137562 949762106 /nfs/dbraw/zinc/76/21/06/949762106.db2.gz VVGWZWQTRVBOFR-ZIAGYGMSSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574137562 949762123 /nfs/dbraw/zinc/76/21/23/949762123.db2.gz VVGWZWQTRVBOFR-ZIAGYGMSSA-N -1 1 388.476 1.368 20 0 GDADMM CC1(C(=O)N[C@@H]2CC23CCN(c2cnc(-c4nnn[n-]4)cn2)CC3)CCCC1 ZINC001575560074 949776383 /nfs/dbraw/zinc/77/63/83/949776383.db2.gz JQCBDNZTVDCAHQ-CQSZACIVSA-N -1 1 382.472 1.712 20 0 GDADMM CC1(C(=O)N[C@@H]2CC23CCN(c2cnc(-c4nn[n-]n4)cn2)CC3)CCCC1 ZINC001575560074 949776399 /nfs/dbraw/zinc/77/63/99/949776399.db2.gz JQCBDNZTVDCAHQ-CQSZACIVSA-N -1 1 382.472 1.712 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001574138082 949780511 /nfs/dbraw/zinc/78/05/11/949780511.db2.gz ZWKGFTQWXNVYQK-SOUVJXGZSA-N -1 1 384.488 1.909 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001574138082 949780521 /nfs/dbraw/zinc/78/05/21/949780521.db2.gz ZWKGFTQWXNVYQK-SOUVJXGZSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001574481566 949790127 /nfs/dbraw/zinc/79/01/27/949790127.db2.gz RNYAUOGBTINHDU-UONOGXRCSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001574481566 949790139 /nfs/dbraw/zinc/79/01/39/949790139.db2.gz RNYAUOGBTINHDU-UONOGXRCSA-N -1 1 381.444 1.147 20 0 GDADMM CC1(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2cnc(-c3nnn[n-]3)cn2)CCCC1 ZINC001575560871 949796497 /nfs/dbraw/zinc/79/64/97/949796497.db2.gz WFXZGRTXALNMQF-AGUYFDCRSA-N -1 1 382.472 1.853 20 0 GDADMM CC1(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2cnc(-c3nn[n-]n3)cn2)CCCC1 ZINC001575560871 949796512 /nfs/dbraw/zinc/79/65/12/949796512.db2.gz WFXZGRTXALNMQF-AGUYFDCRSA-N -1 1 382.472 1.853 20 0 GDADMM C[C@@H]1CCCN(C(=O)COC(C)(C)C)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576172243 949796747 /nfs/dbraw/zinc/79/67/47/949796747.db2.gz VSGLWVOGSYBHMV-TZMCWYRMSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H]1CCCN(C(=O)COC(C)(C)C)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576172243 949796759 /nfs/dbraw/zinc/79/67/59/949796759.db2.gz VSGLWVOGSYBHMV-TZMCWYRMSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001574481797 949802442 /nfs/dbraw/zinc/80/24/42/949802442.db2.gz VPTHPHIDQWUODC-STQMWFEESA-N -1 1 382.428 1.704 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001574481797 949802461 /nfs/dbraw/zinc/80/24/61/949802461.db2.gz VPTHPHIDQWUODC-STQMWFEESA-N -1 1 382.428 1.704 20 0 GDADMM CC1(C(=O)N[C@@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C23CCC3)CC=CC1 ZINC001575561171 949803830 /nfs/dbraw/zinc/80/38/30/949803830.db2.gz ZRZYKBHVUYOXSC-ZIAGYGMSSA-N -1 1 380.456 1.852 20 0 GDADMM CC1(C(=O)N[C@@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C23CCC3)CC=CC1 ZINC001575561171 949803855 /nfs/dbraw/zinc/80/38/55/949803855.db2.gz ZRZYKBHVUYOXSC-ZIAGYGMSSA-N -1 1 380.456 1.852 20 0 GDADMM C[C@H]1CC[C@H](C(=O)N[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)[C@@H]2C)CC1 ZINC001575883261 949806842 /nfs/dbraw/zinc/80/68/42/949806842.db2.gz QFYPKWPVTYGDEC-TUVASFSCSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H]1CC[C@H](C(=O)N[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)[C@@H]2C)CC1 ZINC001575883261 949806863 /nfs/dbraw/zinc/80/68/63/949806863.db2.gz QFYPKWPVTYGDEC-TUVASFSCSA-N -1 1 384.488 1.957 20 0 GDADMM CC1(C(=O)N[C@@H]2CC[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)CC(F)(F)C1 ZINC001575561618 949811411 /nfs/dbraw/zinc/81/14/11/949811411.db2.gz BPAXYZKIGFLBJG-GHMZBOCLSA-N -1 1 392.414 1.789 20 0 GDADMM CC1(C(=O)N[C@@H]2CC[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)CC(F)(F)C1 ZINC001575561618 949811445 /nfs/dbraw/zinc/81/14/45/949811445.db2.gz BPAXYZKIGFLBJG-GHMZBOCLSA-N -1 1 392.414 1.789 20 0 GDADMM CC1(C(=O)NC2CCC(Nc3ccc(-c4nnn[n-]4)nn3)CC2)CCOCC1 ZINC001575561463 949813346 /nfs/dbraw/zinc/81/33/46/949813346.db2.gz ARAQFJKDUGZEQF-UHFFFAOYSA-N -1 1 386.460 1.313 20 0 GDADMM CC1(C(=O)NC2CCC(Nc3ccc(-c4nn[n-]n4)nn3)CC2)CCOCC1 ZINC001575561463 949813371 /nfs/dbraw/zinc/81/33/71/949813371.db2.gz ARAQFJKDUGZEQF-UHFFFAOYSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574965768 949815781 /nfs/dbraw/zinc/81/57/81/949815781.db2.gz LPGNUHPBLYZJBT-CFVMTHIKSA-N -1 1 378.440 1.401 20 0 GDADMM CC1(C(=O)N[C@@H]2CCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)CCOCC1 ZINC001575561828 949817957 /nfs/dbraw/zinc/81/79/57/949817957.db2.gz DEWOAQSGMJCKGZ-CHWSQXEVSA-N -1 1 386.460 1.170 20 0 GDADMM CC1(C(=O)N[C@@H]2CCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)CCOCC1 ZINC001575561828 949817963 /nfs/dbraw/zinc/81/79/63/949817963.db2.gz DEWOAQSGMJCKGZ-CHWSQXEVSA-N -1 1 386.460 1.170 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CC[C@H]1CCCO1 ZINC001573823220 949818645 /nfs/dbraw/zinc/81/86/45/949818645.db2.gz RTIHCQLGFLQFCN-OLZOCXBDSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CC[C@H]1CCCO1 ZINC001573823220 949818667 /nfs/dbraw/zinc/81/86/67/949818667.db2.gz RTIHCQLGFLQFCN-OLZOCXBDSA-N -1 1 388.476 1.559 20 0 GDADMM CC1(C(=O)N[C@@H]2CCC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CC(F)(F)C1 ZINC001575562124 949820168 /nfs/dbraw/zinc/82/01/68/949820168.db2.gz DTDHDYWVCCDRIP-WDEREUQCSA-N -1 1 392.414 1.931 20 0 GDADMM CC1(C(=O)N[C@@H]2CCC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CC(F)(F)C1 ZINC001575562124 949820181 /nfs/dbraw/zinc/82/01/81/949820181.db2.gz DTDHDYWVCCDRIP-WDEREUQCSA-N -1 1 392.414 1.931 20 0 GDADMM C[C@H](CNC(=O)c1c(F)cc(F)cc1F)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574965986 949828893 /nfs/dbraw/zinc/82/88/93/949828893.db2.gz RAEMSSFTXLSEDM-MRVPVSSYSA-N -1 1 392.345 1.329 20 0 GDADMM C[C@H](CNC(=O)c1c(F)cc(F)cc1F)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574965986 949828924 /nfs/dbraw/zinc/82/89/24/949828924.db2.gz RAEMSSFTXLSEDM-MRVPVSSYSA-N -1 1 392.345 1.329 20 0 GDADMM C[C@H](CNC(=O)c1c(F)cc(F)cc1F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574966002 949832026 /nfs/dbraw/zinc/83/20/26/949832026.db2.gz RMOPADYLJSFNAZ-SSDOTTSWSA-N -1 1 378.318 1.304 20 0 GDADMM C[C@H](CNC(=O)c1c(F)cc(F)cc1F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574966002 949832052 /nfs/dbraw/zinc/83/20/52/949832052.db2.gz RMOPADYLJSFNAZ-SSDOTTSWSA-N -1 1 378.318 1.304 20 0 GDADMM C[C@@H]1CCCC[C@H]1CC(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576173029 949834596 /nfs/dbraw/zinc/83/45/96/949834596.db2.gz WNAMAVZBYFKOAC-CABCVRRESA-N -1 1 384.488 1.912 20 0 GDADMM C[C@@H]1CCCC[C@H]1CC(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576173029 949834615 /nfs/dbraw/zinc/83/46/15/949834615.db2.gz WNAMAVZBYFKOAC-CABCVRRESA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)Cc1ccsc1 ZINC001573823813 949842058 /nfs/dbraw/zinc/84/20/58/949842058.db2.gz ZGPCEORSSGSKFS-GFCCVEGCSA-N -1 1 386.485 1.904 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)Cc1ccsc1 ZINC001573823813 949842079 /nfs/dbraw/zinc/84/20/79/949842079.db2.gz ZGPCEORSSGSKFS-GFCCVEGCSA-N -1 1 386.485 1.904 20 0 GDADMM CC1(C(=O)N[C@@H]2CCC[C@H]2CNc2cnc(-c3nnn[n-]3)cn2)CC(F)(F)C1 ZINC001575563965 949848922 /nfs/dbraw/zinc/84/89/22/949848922.db2.gz NGDNFGAJHRODBW-WDEREUQCSA-N -1 1 392.414 1.789 20 0 GDADMM CC1(C(=O)N[C@@H]2CCC[C@H]2CNc2cnc(-c3nn[n-]n3)cn2)CC(F)(F)C1 ZINC001575563965 949848952 /nfs/dbraw/zinc/84/89/52/949848952.db2.gz NGDNFGAJHRODBW-WDEREUQCSA-N -1 1 392.414 1.789 20 0 GDADMM CC(C)(C)C1CC(C(=O)NC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C2CC2)C1 ZINC001573824492 949853768 /nfs/dbraw/zinc/85/37/68/949853768.db2.gz GNKWZKFXNJCTMU-JXQTWKCFSA-N -1 1 384.488 1.458 20 0 GDADMM C[C@@H](CC(=O)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C1CCCCC1 ZINC001574484083 949858398 /nfs/dbraw/zinc/85/83/98/949858398.db2.gz TWZOABRETWYQLF-AWEZNQCLSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)(C)C1CC(C(=O)NCCN(c2ccc(-c3nnn[n-]3)nn2)C2CC2)C1 ZINC001573825260 949866841 /nfs/dbraw/zinc/86/68/41/949866841.db2.gz ORPLBBNZPYNMRW-UHFFFAOYSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)C1CC(C(=O)NCCN(c2ccc(-c3nn[n-]n3)nn2)C2CC2)C1 ZINC001573825260 949866867 /nfs/dbraw/zinc/86/68/67/949866867.db2.gz ORPLBBNZPYNMRW-UHFFFAOYSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cscn2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576178237 949882999 /nfs/dbraw/zinc/88/29/99/949882999.db2.gz GUWRHZVSPLNDBD-MFKMUULPSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cscn2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576178237 949883020 /nfs/dbraw/zinc/88/30/20/949883020.db2.gz GUWRHZVSPLNDBD-MFKMUULPSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H](NC(=O)COC(C)(C)C)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575283895 949884298 /nfs/dbraw/zinc/88/42/98/949884298.db2.gz QZPMPKHYHUTAFF-CHWSQXEVSA-N -1 1 388.476 1.193 20 0 GDADMM C[C@@H](NC(=O)COC(C)(C)C)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575283895 949884323 /nfs/dbraw/zinc/88/43/23/949884323.db2.gz QZPMPKHYHUTAFF-CHWSQXEVSA-N -1 1 388.476 1.193 20 0 GDADMM CC1(C(=O)N[C@@H]2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)CC(F)(F)C1 ZINC001575565711 949885303 /nfs/dbraw/zinc/88/53/03/949885303.db2.gz XQFPBPQIGIXFFG-GHMZBOCLSA-N -1 1 392.414 1.789 20 0 GDADMM CC1(C(=O)N[C@@H]2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)CC(F)(F)C1 ZINC001575565711 949885321 /nfs/dbraw/zinc/88/53/21/949885321.db2.gz XQFPBPQIGIXFFG-GHMZBOCLSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001574484705 949896357 /nfs/dbraw/zinc/89/63/57/949896357.db2.gz MJSQRRYDGLEJLS-NXEZZACHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574484705 949896375 /nfs/dbraw/zinc/89/63/75/949896375.db2.gz MJSQRRYDGLEJLS-NXEZZACHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1)n1cccc1 ZINC001574484892 949909664 /nfs/dbraw/zinc/90/96/64/949909664.db2.gz RAMBTOYFQCNGKY-KGLIPLIRSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1)n1cccc1 ZINC001574484892 949909685 /nfs/dbraw/zinc/90/96/85/949909685.db2.gz RAMBTOYFQCNGKY-KGLIPLIRSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@]1(C(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)CCCOC1 ZINC001575569086 949909962 /nfs/dbraw/zinc/90/99/62/949909962.db2.gz FTGVSXVDMQTUNQ-LIRRHRJNSA-N -1 1 388.447 1.513 20 0 GDADMM C[C@@H](CN(C)C(=O)COc1ccc(F)cc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574726499 949941867 /nfs/dbraw/zinc/94/18/67/949941867.db2.gz JDPHJKVKFDNZBZ-NSHDSACASA-N -1 1 386.391 1.134 20 0 GDADMM C[C@@H](CN(C)C(=O)COc1ccc(F)cc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574726499 949941883 /nfs/dbraw/zinc/94/18/83/949941883.db2.gz JDPHJKVKFDNZBZ-NSHDSACASA-N -1 1 386.391 1.134 20 0 GDADMM CC(C)(C)CC(=O)N1CCC2(CCN(c3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001573829715 949959572 /nfs/dbraw/zinc/95/95/72/949959572.db2.gz CPNILUJYJGHERX-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)(C)CC(=O)N1CCC2(CCN(c3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001573829715 949959585 /nfs/dbraw/zinc/95/95/85/949959585.db2.gz CPNILUJYJGHERX-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)(C)CC(=O)N1CCC2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001573829981 949968209 /nfs/dbraw/zinc/96/82/09/949968209.db2.gz GJMTVADHXHSHFM-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)(C)CC(=O)N1CCC2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001573829981 949968227 /nfs/dbraw/zinc/96/82/27/949968227.db2.gz GJMTVADHXHSHFM-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@]1(C(=O)NC[C@@H](CO)Nc2nc(Cl)c(-c3nnn[n-]3)s2)C=CCC1 ZINC001575573554 949999871 /nfs/dbraw/zinc/99/98/71/949999871.db2.gz MYWPQEGDBBMYAL-RTHLEPHNSA-N -1 1 383.865 1.222 20 0 GDADMM C[C@]1(C(=O)NC[C@@H](CO)Nc2nc(Cl)c(-c3nn[n-]n3)s2)C=CCC1 ZINC001575573554 949999890 /nfs/dbraw/zinc/99/98/90/949999890.db2.gz MYWPQEGDBBMYAL-RTHLEPHNSA-N -1 1 383.865 1.222 20 0 GDADMM C[C@@H](CC(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)C(F)(F)F ZINC001574490495 950003692 /nfs/dbraw/zinc/00/36/92/950003692.db2.gz TULDITXSXWGCEW-WCBMZHEXSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](CC(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)C(F)(F)F ZINC001574490495 950003718 /nfs/dbraw/zinc/00/37/18/950003718.db2.gz TULDITXSXWGCEW-WCBMZHEXSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ccc2c(c1)CCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574729046 950017571 /nfs/dbraw/zinc/01/75/71/950017571.db2.gz MZNUWZJERCVQIB-CYBMUJFWSA-N -1 1 392.467 1.647 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ccc2c(c1)CCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574729046 950017593 /nfs/dbraw/zinc/01/75/93/950017593.db2.gz MZNUWZJERCVQIB-CYBMUJFWSA-N -1 1 392.467 1.647 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001574490773 950020560 /nfs/dbraw/zinc/02/05/60/950020560.db2.gz YPXHGOJVSWQWGW-BPUTZDHNSA-N -1 1 390.451 1.640 20 0 GDADMM C[C@H](CC(=O)NC1CC(CNc2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001574491182 950024006 /nfs/dbraw/zinc/02/40/06/950024006.db2.gz AONAACBQFHSEQY-XNWIYYODSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](CC(=O)NC1CC(CNc2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001574491182 950024026 /nfs/dbraw/zinc/02/40/26/950024026.db2.gz AONAACBQFHSEQY-XNWIYYODSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1cccc(F)c1F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574730243 950028743 /nfs/dbraw/zinc/02/87/43/950028743.db2.gz QDCQQRSHMGDKRD-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1cccc(F)c1F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574730243 950028767 /nfs/dbraw/zinc/02/87/67/950028767.db2.gz QDCQQRSHMGDKRD-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ccccc1Cl)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574730338 950029099 /nfs/dbraw/zinc/02/90/99/950029099.db2.gz RGIASIKPHXPPQF-LLVKDONJSA-N -1 1 386.847 1.234 20 0 GDADMM C[C@H]1CCN(C(=O)Cc2ccoc2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576182005 950030269 /nfs/dbraw/zinc/03/02/69/950030269.db2.gz KHHWSCOOLXKDES-GXTWGEPZSA-N -1 1 382.428 1.389 20 0 GDADMM C[C@H]1CCN(C(=O)Cc2ccoc2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576182005 950030289 /nfs/dbraw/zinc/03/02/89/950030289.db2.gz KHHWSCOOLXKDES-GXTWGEPZSA-N -1 1 382.428 1.389 20 0 GDADMM C[C@@H](CC(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)c1ccco1 ZINC001574491634 950043116 /nfs/dbraw/zinc/04/31/16/950043116.db2.gz FDFXWHDGDBIKKQ-LBPRGKRZSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](CC(=O)N[C@@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001574491750 950047382 /nfs/dbraw/zinc/04/73/82/950047382.db2.gz FLFKJYQHRMDIJI-OTYXRUKQSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](CC(=O)N[C@@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574491750 950047398 /nfs/dbraw/zinc/04/73/98/950047398.db2.gz FLFKJYQHRMDIJI-OTYXRUKQSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ccc(Cl)cc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574731508 950054920 /nfs/dbraw/zinc/05/49/20/950054920.db2.gz VTQWTUFFKVFZKG-NSHDSACASA-N -1 1 386.847 1.234 20 0 GDADMM C[C@H](CC(=O)N[C@]1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574492003 950055011 /nfs/dbraw/zinc/05/50/11/950055011.db2.gz IEHCOBVRRGDMFP-KZULUSFZSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccoc2)[C@@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576182733 950058353 /nfs/dbraw/zinc/05/83/53/950058353.db2.gz PDPBIAYDVNIIMF-GXTWGEPZSA-N -1 1 382.428 1.415 20 0 GDADMM C[C@@H](CC(=O)N[C@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1 ZINC001574492121 950059377 /nfs/dbraw/zinc/05/93/77/950059377.db2.gz JLRQLFQXONAUPJ-VBKZILBWSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@@H](CC(=O)N[C@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1 ZINC001574492121 950059399 /nfs/dbraw/zinc/05/93/99/950059399.db2.gz JLRQLFQXONAUPJ-VBKZILBWSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H](CC(=O)N[C@@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1 ZINC001574492122 950063069 /nfs/dbraw/zinc/06/30/69/950063069.db2.gz JLRQLFQXONAUPJ-VLIAUNLRSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H](CC(=O)N[C@@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1 ZINC001574492122 950063087 /nfs/dbraw/zinc/06/30/87/950063087.db2.gz JLRQLFQXONAUPJ-VLIAUNLRSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](CO)Nc1nc(-c2nn[n-]n2)c(Cl)s1)C1CC1 ZINC001574492285 950072412 /nfs/dbraw/zinc/07/24/12/950072412.db2.gz ABEHDELDMNTXPY-APPZFPTMSA-N -1 1 385.881 1.302 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](C)N(C)c1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001574492410 950080548 /nfs/dbraw/zinc/08/05/48/950080548.db2.gz ARRXJIYPYVMRTK-KBPBESRZSA-N -1 1 380.456 1.791 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001574492410 950080570 /nfs/dbraw/zinc/08/05/70/950080570.db2.gz ARRXJIYPYVMRTK-KBPBESRZSA-N -1 1 380.456 1.791 20 0 GDADMM C[C@H](CC(=O)N[C@@]12CCC[C@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2)C1CC1 ZINC001574492436 950080872 /nfs/dbraw/zinc/08/08/72/950080872.db2.gz MTUIIVXEWMCSMM-BBEGDGIKSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2cccc(F)c2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575892737 950082027 /nfs/dbraw/zinc/08/20/27/950082027.db2.gz YXKCFWSBBPSLOJ-FZMZJTMJSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2cccc(F)c2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575892737 950082046 /nfs/dbraw/zinc/08/20/46/950082046.db2.gz YXKCFWSBBPSLOJ-FZMZJTMJSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001574492500 950086560 /nfs/dbraw/zinc/08/65/60/950086560.db2.gz NNHQCEDLXJMAPL-NXEZZACHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001574492500 950086583 /nfs/dbraw/zinc/08/65/83/950086583.db2.gz NNHQCEDLXJMAPL-NXEZZACHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cc(F)c[nH]2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576183989 950110391 /nfs/dbraw/zinc/11/03/91/950110391.db2.gz UUYHAEOGIUTPNB-QMTHXVAHSA-N -1 1 385.407 1.477 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cc(F)c[nH]2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576183989 950110400 /nfs/dbraw/zinc/11/04/00/950110400.db2.gz UUYHAEOGIUTPNB-QMTHXVAHSA-N -1 1 385.407 1.477 20 0 GDADMM C[C@H](CC(=O)NC1(CNc2ccc(-c3nnn[n-]3)nn2)CCOCC1)C1CC1 ZINC001574493315 950128583 /nfs/dbraw/zinc/12/85/83/950128583.db2.gz SERHNPZEDYYLGE-GFCCVEGCSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@H](CC(=O)NC1(CNc2ccc(-c3nn[n-]n3)nn2)CCOCC1)C1CC1 ZINC001574493315 950128599 /nfs/dbraw/zinc/12/85/99/950128599.db2.gz SERHNPZEDYYLGE-GFCCVEGCSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574734126 950129070 /nfs/dbraw/zinc/12/90/70/950129070.db2.gz JQQXTAINWAPUFN-KGLIPLIRSA-N -1 1 380.456 1.794 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574734126 950129086 /nfs/dbraw/zinc/12/90/86/950129086.db2.gz JQQXTAINWAPUFN-KGLIPLIRSA-N -1 1 380.456 1.794 20 0 GDADMM C[C@@H](CC(=O)N[C@@]1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574493511 950132527 /nfs/dbraw/zinc/13/25/27/950132527.db2.gz SXBIRLVFINBKJL-UGSOOPFHSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H]1CCN(C(=O)CCC(F)F)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576184695 950138860 /nfs/dbraw/zinc/13/88/60/950138860.db2.gz XGKMCAIKRYVGKA-MNOVXSKESA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H]1CCN(C(=O)CCC(F)F)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576184695 950138878 /nfs/dbraw/zinc/13/88/78/950138878.db2.gz XGKMCAIKRYVGKA-MNOVXSKESA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccon2)[C@@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576185014 950150603 /nfs/dbraw/zinc/15/06/03/950150603.db2.gz YJXLRKBZIJHNMD-SMDDNHRTSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccon2)[C@@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576185014 950150620 /nfs/dbraw/zinc/15/06/20/950150620.db2.gz YJXLRKBZIJHNMD-SMDDNHRTSA-N -1 1 383.416 1.388 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@](C)(O)C1CC1 ZINC001574154082 950165481 /nfs/dbraw/zinc/16/54/81/950165481.db2.gz AZCDYNPCCYIPEJ-ACJLOTCBSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@](C)(O)C1CC1 ZINC001574154082 950165491 /nfs/dbraw/zinc/16/54/91/950165491.db2.gz AZCDYNPCCYIPEJ-ACJLOTCBSA-N -1 1 388.476 1.151 20 0 GDADMM C[C@@H](CC(=O)NC1CC(CNc2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001574494503 950166010 /nfs/dbraw/zinc/16/60/10/950166010.db2.gz ZYAUEGLZRPNNQT-HIFPTAJRSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](CC(=O)NC1CC(CNc2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001574494503 950166022 /nfs/dbraw/zinc/16/60/22/950166022.db2.gz ZYAUEGLZRPNNQT-HIFPTAJRSA-N -1 1 382.428 1.750 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ccccc1O ZINC001574154995 950179718 /nfs/dbraw/zinc/17/97/18/950179718.db2.gz HOVHCVVOHJHBKM-LBPRGKRZSA-N -1 1 382.428 1.619 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nn[nH]n2)nc1)NC(=O)c1ncccc1[O-] ZINC001574155496 950195625 /nfs/dbraw/zinc/19/56/25/950195625.db2.gz MHOJKMAZMLFYLP-CYBMUJFWSA-N -1 1 382.428 1.619 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccccc1 ZINC001574496494 950217862 /nfs/dbraw/zinc/21/78/62/950217862.db2.gz WSVANSPFAHJOSL-DZGCQCFKSA-N -1 1 378.440 1.545 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccccc1 ZINC001574496494 950217880 /nfs/dbraw/zinc/21/78/80/950217880.db2.gz WSVANSPFAHJOSL-DZGCQCFKSA-N -1 1 378.440 1.545 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)COC1CCCC1 ZINC001574155976 950219335 /nfs/dbraw/zinc/21/93/35/950219335.db2.gz SRTJBPMLKNGVAT-CYBMUJFWSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)COC1CCCC1 ZINC001574155976 950219357 /nfs/dbraw/zinc/21/93/57/950219357.db2.gz SRTJBPMLKNGVAT-CYBMUJFWSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@]12C[C@H]1CCCC2 ZINC001574156173 950227839 /nfs/dbraw/zinc/22/78/39/950227839.db2.gz YFFDGPXTUCKXPG-PJIJBLCYSA-N -1 1 384.488 1.602 20 0 GDADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1CC2(CCC2)C1 ZINC001574156167 950229492 /nfs/dbraw/zinc/22/94/92/950229492.db2.gz XYHSERBKROCVLW-CQSZACIVSA-N -1 1 384.488 1.602 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1 ZINC001573845726 950234152 /nfs/dbraw/zinc/23/41/52/950234152.db2.gz JRYDGDBTWOLNRV-XDQVBPFNSA-N -1 1 382.472 1.519 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1 ZINC001573845726 950234179 /nfs/dbraw/zinc/23/41/79/950234179.db2.gz JRYDGDBTWOLNRV-XDQVBPFNSA-N -1 1 382.472 1.519 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cc(Cl)c[nH]1 ZINC001574157563 950241789 /nfs/dbraw/zinc/24/17/89/950241789.db2.gz CZOHOLDPKDIKMC-LLVKDONJSA-N -1 1 389.851 1.895 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cc(Cl)c[nH]1 ZINC001574157563 950241807 /nfs/dbraw/zinc/24/18/07/950241807.db2.gz CZOHOLDPKDIKMC-LLVKDONJSA-N -1 1 389.851 1.895 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573845806 950242632 /nfs/dbraw/zinc/24/26/32/950242632.db2.gz MVPGARSTNCKUEY-GNRIBBGQSA-N -1 1 384.488 1.458 20 0 GDADMM C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc2n[nH]cc2-c2nnn[n-]2)C1 ZINC001576192507 950249386 /nfs/dbraw/zinc/24/93/86/950249386.db2.gz OVGPNFQSODRLGZ-ONGXEEELSA-N -1 1 376.421 1.564 20 0 GDADMM C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc2n[nH]cc2-c2nn[n-]n2)C1 ZINC001576192507 950249417 /nfs/dbraw/zinc/24/94/17/950249417.db2.gz OVGPNFQSODRLGZ-ONGXEEELSA-N -1 1 376.421 1.564 20 0 GDADMM C[C@H](CC(=O)NCC1(C)CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C1CC1 ZINC001574497939 950250110 /nfs/dbraw/zinc/25/01/10/950250110.db2.gz GRUDLQPNUHNJJA-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](CC(=O)NCC1(C)CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001574497939 950250129 /nfs/dbraw/zinc/25/01/29/950250129.db2.gz GRUDLQPNUHNJJA-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573846615 950250634 /nfs/dbraw/zinc/25/06/34/950250634.db2.gz SYVJWPYAEBQBAK-MELADBBJSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573846615 950250657 /nfs/dbraw/zinc/25/06/57/950250657.db2.gz SYVJWPYAEBQBAK-MELADBBJSA-N -1 1 384.488 1.989 20 0 GDADMM CC1(C(=O)NC[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CCCCCC1 ZINC001575589168 950255425 /nfs/dbraw/zinc/25/54/25/950255425.db2.gz VDTYTYMYJKKHKY-AWEZNQCLSA-N -1 1 384.488 1.960 20 0 GDADMM CC1(C(=O)NC[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CCCCCC1 ZINC001575589168 950255450 /nfs/dbraw/zinc/25/54/50/950255450.db2.gz VDTYTYMYJKKHKY-AWEZNQCLSA-N -1 1 384.488 1.960 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1CCC1(F)F ZINC001574157853 950260082 /nfs/dbraw/zinc/26/00/82/950260082.db2.gz JVSUYLNYCNSSOB-QWRGUYRKSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1CCC1(F)F ZINC001574157853 950260100 /nfs/dbraw/zinc/26/01/00/950260100.db2.gz JVSUYLNYCNSSOB-QWRGUYRKSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccc(F)cn1 ZINC001574157970 950263136 /nfs/dbraw/zinc/26/31/36/950263136.db2.gz LZZBHAXHRMXJBV-LBPRGKRZSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccc(F)cn1 ZINC001574157970 950263154 /nfs/dbraw/zinc/26/31/54/950263154.db2.gz LZZBHAXHRMXJBV-LBPRGKRZSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)(C)OC(=O)C1=NO[C@H](C(=O)NCc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573849878 950265383 /nfs/dbraw/zinc/26/53/83/950265383.db2.gz DUGLXQDDSBJQPQ-JTQLQIEISA-N -1 1 378.414 1.031 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](O)CNc1nc(-c2nn[n-]n2)c(Cl)s1)C1CC1 ZINC001574498520 950279728 /nfs/dbraw/zinc/27/97/28/950279728.db2.gz OMWATBMNCYBVBO-VXNVDRBHSA-N -1 1 385.881 1.302 20 0 GDADMM CC(C)(C)OC(=O)CC[C@H]1C[C@H](C(=O)Nc2c[nH]nc2-c2nn[n-]n2)CO1 ZINC001573850917 950281863 /nfs/dbraw/zinc/28/18/63/950281863.db2.gz OZWLBYQXXSVJBT-UWVGGRQHSA-N -1 1 377.405 1.055 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H](C)n1cccc1 ZINC001574158765 950286322 /nfs/dbraw/zinc/28/63/22/950286322.db2.gz SCMSVUAWHSWAIM-KGLIPLIRSA-N -1 1 383.460 1.662 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H](C)n1cccc1 ZINC001574158765 950286340 /nfs/dbraw/zinc/28/63/40/950286340.db2.gz SCMSVUAWHSWAIM-KGLIPLIRSA-N -1 1 383.460 1.662 20 0 GDADMM CC1(C(=O)NCCC2(CNc3ccnc(-c4nn[n-]n4)n3)CC2)CC(F)(F)C1 ZINC001575592603 950293538 /nfs/dbraw/zinc/29/35/38/950293538.db2.gz CEHALVBRMDFGRA-UHFFFAOYSA-N -1 1 392.414 1.212 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](O)CNc1cncc(-c2nnn[n-]2)n1)C1CCCCC1 ZINC001574499175 950293522 /nfs/dbraw/zinc/29/35/22/950293522.db2.gz SLPITYSJHDNBKJ-GXTWGEPZSA-N -1 1 388.476 1.152 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](O)CNc1cncc(-c2nn[n-]n2)n1)C1CCCCC1 ZINC001574499175 950293540 /nfs/dbraw/zinc/29/35/40/950293540.db2.gz SLPITYSJHDNBKJ-GXTWGEPZSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H](C)C(C)(F)F ZINC001574159246 950295414 /nfs/dbraw/zinc/29/54/14/950295414.db2.gz URHAKYUECYQUDX-GHMZBOCLSA-N -1 1 382.419 1.891 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H](C)C(C)(F)F ZINC001574159246 950295434 /nfs/dbraw/zinc/29/54/34/950295434.db2.gz URHAKYUECYQUDX-GHMZBOCLSA-N -1 1 382.419 1.891 20 0 GDADMM CC(C)(C)OC(=O)N1CC(CCC(=O)NCc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001573852663 950309832 /nfs/dbraw/zinc/30/98/32/950309832.db2.gz IKXNEPSFNUWTCA-UHFFFAOYSA-N -1 1 387.444 1.525 20 0 GDADMM CC(C)(C)OC(=O)N1CC(CCC(=O)NCc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001573852663 950309855 /nfs/dbraw/zinc/30/98/55/950309855.db2.gz IKXNEPSFNUWTCA-UHFFFAOYSA-N -1 1 387.444 1.525 20 0 GDADMM CC(C)(C)OC(=O)N(CCC(=O)Nc1n[nH]cc1-c1nnn[n-]1)CC1CC1 ZINC001573853454 950321552 /nfs/dbraw/zinc/32/15/52/950321552.db2.gz PDXFFZLJNXJYAZ-UHFFFAOYSA-N -1 1 376.421 1.566 20 0 GDADMM CC(C)(C)OC(=O)N(CCC(=O)Nc1n[nH]cc1-c1nn[n-]n1)CC1CC1 ZINC001573853454 950321572 /nfs/dbraw/zinc/32/15/72/950321572.db2.gz PDXFFZLJNXJYAZ-UHFFFAOYSA-N -1 1 376.421 1.566 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCCCCN1c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001574502105 950357043 /nfs/dbraw/zinc/35/70/43/950357043.db2.gz IWLYYXHLAPPTAD-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccc(Cl)[nH]1 ZINC001574161468 950358857 /nfs/dbraw/zinc/35/88/57/950358857.db2.gz UYKGIFGNLGQBET-JTQLQIEISA-N -1 1 389.851 1.895 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccc(Cl)[nH]1 ZINC001574161468 950358877 /nfs/dbraw/zinc/35/88/77/950358877.db2.gz UYKGIFGNLGQBET-JTQLQIEISA-N -1 1 389.851 1.895 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccc(=O)[nH]c1 ZINC001574161515 950361655 /nfs/dbraw/zinc/36/16/55/950361655.db2.gz VPIAVZVMEJWMDY-LBPRGKRZSA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccc(=O)[nH]c1 ZINC001574161515 950361674 /nfs/dbraw/zinc/36/16/74/950361674.db2.gz VPIAVZVMEJWMDY-LBPRGKRZSA-N -1 1 383.416 1.014 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001574502167 950366520 /nfs/dbraw/zinc/36/65/20/950366520.db2.gz JZKLLOQCNZKYTF-NXEZZACHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001574502167 950366544 /nfs/dbraw/zinc/36/65/44/950366544.db2.gz JZKLLOQCNZKYTF-NXEZZACHSA-N -1 1 384.366 1.330 20 0 GDADMM CC1(C(=O)NC[C@H]2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)CCOCC1 ZINC001575596134 950366622 /nfs/dbraw/zinc/36/66/22/950366622.db2.gz AQASDMCLDYFJAX-QWHCGFSZSA-N -1 1 386.460 1.170 20 0 GDADMM CC1(C(=O)NC[C@H]2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)CCOCC1 ZINC001575596134 950366643 /nfs/dbraw/zinc/36/66/43/950366643.db2.gz AQASDMCLDYFJAX-QWHCGFSZSA-N -1 1 386.460 1.170 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)Cc1cccs1 ZINC001574162448 950380147 /nfs/dbraw/zinc/38/01/47/950380147.db2.gz ARIJPZPRDSMSHS-LBPRGKRZSA-N -1 1 386.485 1.904 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)Cc1cccs1 ZINC001574162448 950380166 /nfs/dbraw/zinc/38/01/66/950380166.db2.gz ARIJPZPRDSMSHS-LBPRGKRZSA-N -1 1 386.485 1.904 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001574502837 950388156 /nfs/dbraw/zinc/38/81/56/950388156.db2.gz QXBKUIXHPNIISO-VHSXEESVSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574502837 950388176 /nfs/dbraw/zinc/38/81/76/950388176.db2.gz QXBKUIXHPNIISO-VHSXEESVSA-N -1 1 384.366 1.188 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@@H]1CCCCO1 ZINC001574162887 950407471 /nfs/dbraw/zinc/40/74/71/950407471.db2.gz LIMVXJICOFBGJI-KGLIPLIRSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@@H]1CCCCO1 ZINC001574162887 950407490 /nfs/dbraw/zinc/40/74/90/950407490.db2.gz LIMVXJICOFBGJI-KGLIPLIRSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H](C)C(C)(F)F ZINC001574162953 950413808 /nfs/dbraw/zinc/41/38/08/950413808.db2.gz NXXMVLMWTBOYIG-MNOVXSKESA-N -1 1 382.419 1.891 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H](C)C(C)(F)F ZINC001574162953 950413817 /nfs/dbraw/zinc/41/38/17/950413817.db2.gz NXXMVLMWTBOYIG-MNOVXSKESA-N -1 1 382.419 1.891 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CCc1ccco1 ZINC001574163134 950416619 /nfs/dbraw/zinc/41/66/19/950416619.db2.gz PWYPTHCEJKNVJD-ZDUSSCGKSA-N -1 1 384.444 1.825 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CCc1ccco1 ZINC001574163134 950416633 /nfs/dbraw/zinc/41/66/33/950416633.db2.gz PWYPTHCEJKNVJD-ZDUSSCGKSA-N -1 1 384.444 1.825 20 0 GDADMM CC(C)CC1(C(=O)NC[C@@H](CO)Nc2cncc(-c3nnn[n-]3)n2)CCCC1 ZINC001574165236 950443246 /nfs/dbraw/zinc/44/32/46/950443246.db2.gz AHOCDOZDJABXHD-ZDUSSCGKSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)CC1(C(=O)NC[C@@H](CO)Nc2cncc(-c3nn[n-]n3)n2)CCCC1 ZINC001574165236 950443252 /nfs/dbraw/zinc/44/32/52/950443252.db2.gz AHOCDOZDJABXHD-ZDUSSCGKSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)CC1(C(=O)NC[C@H](O)CNc2ccc(-c3nnn[n-]3)nn2)CCCC1 ZINC001574165307 950446465 /nfs/dbraw/zinc/44/64/65/950446465.db2.gz CWAPOIIDHUIIEK-CYBMUJFWSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)CC1(C(=O)NC[C@H](O)CNc2ccc(-c3nn[n-]n3)nn2)CCCC1 ZINC001574165307 950446482 /nfs/dbraw/zinc/44/64/82/950446482.db2.gz CWAPOIIDHUIIEK-CYBMUJFWSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)CC1(C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)CCC1 ZINC001574165812 950454755 /nfs/dbraw/zinc/45/47/55/950454755.db2.gz JDPZUGIEKPRVJS-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CC1(C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)CCC1 ZINC001574165812 950454764 /nfs/dbraw/zinc/45/47/64/950454764.db2.gz JDPZUGIEKPRVJS-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001573862245 950462090 /nfs/dbraw/zinc/46/20/90/950462090.db2.gz QTGLANTWPOOAJU-LBPRGKRZSA-N -1 1 388.432 1.783 20 0 GDADMM CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001573862245 950462104 /nfs/dbraw/zinc/46/21/04/950462104.db2.gz QTGLANTWPOOAJU-LBPRGKRZSA-N -1 1 388.432 1.783 20 0 GDADMM CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)Nc2n[nH]cc2-c2nnn[n-]2)CC1 ZINC001573862215 950464710 /nfs/dbraw/zinc/46/47/10/950464710.db2.gz PLOLRSHUINTERX-MGCOHNPYSA-N -1 1 376.421 1.612 20 0 GDADMM CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)Nc2n[nH]cc2-c2nn[n-]n2)CC1 ZINC001573862215 950464729 /nfs/dbraw/zinc/46/47/29/950464729.db2.gz PLOLRSHUINTERX-MGCOHNPYSA-N -1 1 376.421 1.612 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)[C@@H]1CCCO1 ZINC001574508097 950469481 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1 388.476 1.655 20 0 GDADMM C[C@]1(C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCc2ccccc21 ZINC001575609562 950525167 /nfs/dbraw/zinc/52/51/67/950525167.db2.gz YAOUEAPIBJTNLS-YRVVQQKDSA-N -1 1 390.451 1.042 20 0 GDADMM CC(C)(C)OCC(=O)N1CCCCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573867145 950524992 /nfs/dbraw/zinc/52/49/92/950524992.db2.gz QORPOHVGSMDRJT-CYBMUJFWSA-N -1 1 388.476 1.655 20 0 GDADMM CC(C)CCC(=O)N1CC[C@@]2(C1)CCCN(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001574170363 950537020 /nfs/dbraw/zinc/53/70/20/950537020.db2.gz HBCFEJLWWNBVBK-IBGZPJMESA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)CCC(=O)N1CC[C@@]2(C1)CCCN(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001574170363 950537033 /nfs/dbraw/zinc/53/70/33/950537033.db2.gz HBCFEJLWWNBVBK-IBGZPJMESA-N -1 1 384.488 1.912 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc2[nH]ccc2c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574754135 950562114 /nfs/dbraw/zinc/56/21/14/950562114.db2.gz YERNGROJEUJYSZ-NSHDSACASA-N -1 1 377.412 1.711 20 0 GDADMM 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ZINC001575918415 950591156 /nfs/dbraw/zinc/59/11/56/950591156.db2.gz BSZCIIOZQCDFMJ-ZWNOBZJWSA-N -1 1 384.831 1.447 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575617024 950594552 /nfs/dbraw/zinc/59/45/52/950594552.db2.gz XTZSYQIMKOKNCE-UHFFFAOYSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575617024 950594571 /nfs/dbraw/zinc/59/45/71/950594571.db2.gz XTZSYQIMKOKNCE-UHFFFAOYSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)c[nH]1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001575000104 950595289 /nfs/dbraw/zinc/59/52/89/950595289.db2.gz AILOBDGGBGVXGZ-LURJTMIESA-N -1 1 384.828 1.699 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)c[nH]1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001575000104 950595305 /nfs/dbraw/zinc/59/53/05/950595305.db2.gz AILOBDGGBGVXGZ-LURJTMIESA-N -1 1 384.828 1.699 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[C@H](C)c1ccc(F)cc1 ZINC001574513228 950600346 /nfs/dbraw/zinc/60/03/46/950600346.db2.gz KZXWZMOTSZVOEH-NWDGAFQWSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[C@H](C)c1ccc(F)cc1 ZINC001574513228 950600362 /nfs/dbraw/zinc/60/03/62/950600362.db2.gz KZXWZMOTSZVOEH-NWDGAFQWSA-N -1 1 384.419 1.906 20 0 GDADMM CC(C)(C)OCC(=O)NC[C@@H]1CCCCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001573870958 950610953 /nfs/dbraw/zinc/61/09/53/950610953.db2.gz LDXXOASXWRWSDD-ZDUSSCGKSA-N -1 1 388.476 1.337 20 0 GDADMM CC(C)(C)OCC(=O)NC[C@@H]1CCCCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001573870958 950610965 /nfs/dbraw/zinc/61/09/65/950610965.db2.gz LDXXOASXWRWSDD-ZDUSSCGKSA-N -1 1 388.476 1.337 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1ccccc1 ZINC001575919845 950623410 /nfs/dbraw/zinc/62/34/10/950623410.db2.gz KNMRDCMFSGRLNO-HIFRSBDPSA-N -1 1 378.440 1.113 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)ccc1F)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575001174 950623521 /nfs/dbraw/zinc/62/35/21/950623521.db2.gz UVSAVBKCFTXKFW-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)ccc1F)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575001174 950623532 /nfs/dbraw/zinc/62/35/32/950623532.db2.gz UVSAVBKCFTXKFW-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM CCN1CCN(CC(C)(C)NC(=O)NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)CC1 ZINC001589743959 950637974 /nfs/dbraw/zinc/63/79/74/950637974.db2.gz GHSVWQOPXAEEQN-NGEICVOHSA-N -1 1 396.532 1.114 20 0 GDADMM CCN1CCN(c2ccc(CNC(=O)N3C[C@H](C)C[C@@H](C(=O)[O-])C3)cn2)CC1 ZINC001589744231 950645556 /nfs/dbraw/zinc/64/55/56/950645556.db2.gz IWXCLQNMPNIZBM-NVXWUHKLSA-N -1 1 389.500 1.476 20 0 GDADMM C[C@H](CNC(=O)c1cc(C(F)F)ccc1F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575002085 950648899 /nfs/dbraw/zinc/64/88/99/950648899.db2.gz YXMPGNSUOCRXRT-MRVPVSSYSA-N -1 1 392.345 1.386 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)c(Cl)[nH]1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575002165 950652799 /nfs/dbraw/zinc/65/27/99/950652799.db2.gz ZVSIEZMRPFFBAC-ZCFIWIBFSA-N -1 1 382.215 1.522 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)c(Cl)[nH]1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575002165 950652811 /nfs/dbraw/zinc/65/28/11/950652811.db2.gz ZVSIEZMRPFFBAC-ZCFIWIBFSA-N -1 1 382.215 1.522 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001574518372 950654696 /nfs/dbraw/zinc/65/46/96/950654696.db2.gz OGZMIMSJJQZHNO-MGPQQGTHSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574518372 950654707 /nfs/dbraw/zinc/65/47/07/950654707.db2.gz OGZMIMSJJQZHNO-MGPQQGTHSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)ccc1Cl)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575002747 950669793 /nfs/dbraw/zinc/66/97/93/950669793.db2.gz WKOJBRLPDUDDLX-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)ccc1Cl)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575002747 950669803 /nfs/dbraw/zinc/66/98/03/950669803.db2.gz WKOJBRLPDUDDLX-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cc(F)cc(F)c1 ZINC001575924907 950676108 /nfs/dbraw/zinc/67/61/08/950676108.db2.gz FYUZZBBDRDHQRM-ZANVPECISA-N -1 1 386.366 1.650 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cc(F)cc(F)c1 ZINC001575924907 950676124 /nfs/dbraw/zinc/67/61/24/950676124.db2.gz FYUZZBBDRDHQRM-ZANVPECISA-N -1 1 386.366 1.650 20 0 GDADMM CC1(C)CC(C(=O)N2CC[C@]3(CCN(c4cncc(-c5nnn[n-]5)n4)C3)C2)C1 ZINC001575625154 950681528 /nfs/dbraw/zinc/68/15/28/950681528.db2.gz PVBLSSDPQCAPPD-IBGZPJMESA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)CC(C(=O)N2CC[C@]3(CCN(c4cncc(-c5nn[n-]n5)n4)C3)C2)C1 ZINC001575625154 950681544 /nfs/dbraw/zinc/68/15/44/950681544.db2.gz PVBLSSDPQCAPPD-IBGZPJMESA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CC(C1CC1)C1CC1 ZINC001575925676 950688337 /nfs/dbraw/zinc/68/83/37/950688337.db2.gz HXEXAONMXDPEEI-IAQYHMDHSA-N -1 1 382.472 1.884 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CC(C1CC1)C1CC1 ZINC001575925676 950688350 /nfs/dbraw/zinc/68/83/50/950688350.db2.gz HXEXAONMXDPEEI-IAQYHMDHSA-N -1 1 382.472 1.884 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CC1CC(F)(F)C1 ZINC001575925606 950689903 /nfs/dbraw/zinc/68/99/03/950689903.db2.gz HRZNFLCSBSGPON-ONGXEEELSA-N -1 1 378.387 1.493 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CC1CC(F)(F)C1 ZINC001575925606 950689914 /nfs/dbraw/zinc/68/99/14/950689914.db2.gz HRZNFLCSBSGPON-ONGXEEELSA-N -1 1 378.387 1.493 20 0 GDADMM CC(C)n1nccc1C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)[C@H]1C ZINC001575926509 950713664 /nfs/dbraw/zinc/71/36/64/950713664.db2.gz XHABDHYFWODEFF-VXGBXAGGSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1nccc1C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)[C@H]1C ZINC001575926509 950713675 /nfs/dbraw/zinc/71/36/75/950713675.db2.gz XHABDHYFWODEFF-VXGBXAGGSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)(C)c1cc(C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)no1 ZINC001573879488 950724226 /nfs/dbraw/zinc/72/42/26/950724226.db2.gz CFYSLBHNKVQHKF-UHFFFAOYSA-N -1 1 387.469 1.828 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CC2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576216243 950726758 /nfs/dbraw/zinc/72/67/58/950726758.db2.gz DEFGALAKKHDVAK-UWVGGRQHSA-N -1 1 378.387 1.208 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CC2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576216243 950726766 /nfs/dbraw/zinc/72/67/66/950726766.db2.gz DEFGALAKKHDVAK-UWVGGRQHSA-N -1 1 378.387 1.208 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cncn1C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574763678 950727005 /nfs/dbraw/zinc/72/70/05/950727005.db2.gz HZDGKOXWWGSGHN-ZETCQYMHSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cncn1C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574763678 950727016 /nfs/dbraw/zinc/72/70/16/950727016.db2.gz HZDGKOXWWGSGHN-ZETCQYMHSA-N -1 1 381.853 1.283 20 0 GDADMM CC(C)(C)c1cc(C(=O)N[C@H]2C[C@H](Nc3nccnc3-c3nnn[n-]3)C2)[nH]n1 ZINC001573879557 950729615 /nfs/dbraw/zinc/72/96/15/950729615.db2.gz FCKOHTARJMVOOL-MGCOHNPYSA-N -1 1 382.432 1.050 20 0 GDADMM CC(C)(C)c1cc(C(=O)N[C@H]2C[C@H](Nc3nccnc3-c3nn[n-]n3)C2)[nH]n1 ZINC001573879557 950729634 /nfs/dbraw/zinc/72/96/34/950729634.db2.gz FCKOHTARJMVOOL-MGCOHNPYSA-N -1 1 382.432 1.050 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573879785 950733768 /nfs/dbraw/zinc/73/37/68/950733768.db2.gz MOGOHVKOXMXLDU-AAVRWANBSA-N -1 1 384.488 1.600 20 0 GDADMM CC(C)(C)c1cc(C(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)no1 ZINC001573880213 950741531 /nfs/dbraw/zinc/74/15/31/950741531.db2.gz UGZVXCTUNJSETE-SNVBAGLBSA-N -1 1 383.416 1.269 20 0 GDADMM CC(C)(C)c1cc(C(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)no1 ZINC001573880213 950741545 /nfs/dbraw/zinc/74/15/45/950741545.db2.gz UGZVXCTUNJSETE-SNVBAGLBSA-N -1 1 383.416 1.269 20 0 GDADMM CC1(C)CC(C(=O)NCC2(C)CCN(c3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001575629591 950742875 /nfs/dbraw/zinc/74/28/75/950742875.db2.gz QJCBFFSDGNDVPM-UHFFFAOYSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C)CC(C(=O)NCC2(C)CCN(c3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001575629591 950742887 /nfs/dbraw/zinc/74/28/87/950742887.db2.gz QJCBFFSDGNDVPM-UHFFFAOYSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](CC(=O)N[C@]12CCC[C@H]1CN(c1cncc(-c3nnn[n-]3)n1)C2)C1CC1 ZINC001574520631 950744083 /nfs/dbraw/zinc/74/40/83/950744083.db2.gz VRXPRLXPNDRDAZ-UHYGZKCKSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](CC(=O)N[C@]12CCC[C@H]1CN(c1cncc(-c3nn[n-]n3)n1)C2)C1CC1 ZINC001574520631 950744099 /nfs/dbraw/zinc/74/40/99/950744099.db2.gz VRXPRLXPNDRDAZ-UHYGZKCKSA-N -1 1 382.472 1.568 20 0 GDADMM CC(C)c1nc(C(=O)N(C)C[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)cs1 ZINC001574764986 950769886 /nfs/dbraw/zinc/76/98/86/950769886.db2.gz BFYKXTQVARIJHY-JTQLQIEISA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)c1nc(C(=O)N(C)C[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)cs1 ZINC001574764986 950769903 /nfs/dbraw/zinc/76/99/03/950769903.db2.gz BFYKXTQVARIJHY-JTQLQIEISA-N -1 1 387.473 1.809 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ncoc1C(C)(C)C)Nc1nccnc1-c1nnn[n-]1 ZINC001574765166 950777225 /nfs/dbraw/zinc/77/72/25/950777225.db2.gz AEHIKEHUSJYUFH-JTQLQIEISA-N -1 1 385.432 1.515 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ncoc1C(C)(C)C)Nc1nccnc1-c1nn[n-]n1 ZINC001574765166 950777234 /nfs/dbraw/zinc/77/72/34/950777234.db2.gz AEHIKEHUSJYUFH-JTQLQIEISA-N -1 1 385.432 1.515 20 0 GDADMM C[C@H]1[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)CCN1C(=O)CC(C)(C)O ZINC001575930027 950792941 /nfs/dbraw/zinc/79/29/41/950792941.db2.gz DFAHTZUYWAHJSX-JGVFFNPUSA-N -1 1 385.881 1.539 20 0 GDADMM C[C@H]1[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCN1C(=O)CC(C)(C)O ZINC001575930027 950792955 /nfs/dbraw/zinc/79/29/55/950792955.db2.gz DFAHTZUYWAHJSX-JGVFFNPUSA-N -1 1 385.881 1.539 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)c2ccccc2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576218818 950793272 /nfs/dbraw/zinc/79/32/72/950793272.db2.gz MSOIYEPUAXHQRE-BBRMVZONSA-N -1 1 392.467 1.893 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)c2ccccc2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576218818 950793278 /nfs/dbraw/zinc/79/32/78/950793278.db2.gz MSOIYEPUAXHQRE-BBRMVZONSA-N -1 1 392.467 1.893 20 0 GDADMM C[C@H]1[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)CCN1C(=O)CC(C)(C)O ZINC001575930034 950793399 /nfs/dbraw/zinc/79/33/99/950793399.db2.gz DFAHTZUYWAHJSX-YUMQZZPRSA-N -1 1 385.881 1.539 20 0 GDADMM C[C@H]1[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCN1C(=O)CC(C)(C)O ZINC001575930034 950793415 /nfs/dbraw/zinc/79/34/15/950793415.db2.gz DFAHTZUYWAHJSX-YUMQZZPRSA-N -1 1 385.881 1.539 20 0 GDADMM CC1(C)CC(CC(=O)NCC[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001575632489 950802654 /nfs/dbraw/zinc/80/26/54/950802654.db2.gz JUZAUNROZGZZKE-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C)CC(CC(=O)NCC[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001575632489 950802675 /nfs/dbraw/zinc/80/26/75/950802675.db2.gz JUZAUNROZGZZKE-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H]1[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCN1C(=O)c1ccnnc1 ZINC001575931117 950803103 /nfs/dbraw/zinc/80/31/03/950803103.db2.gz GWTQSBMPNVSPOQ-APPZFPTMSA-N -1 1 391.848 1.482 20 0 GDADMM CC1(C)CC(CC(=O)NCC[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001575632819 950806643 /nfs/dbraw/zinc/80/66/43/950806643.db2.gz NSQHXNXUQIFGRZ-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576219573 950810708 /nfs/dbraw/zinc/81/07/08/950810708.db2.gz OKBFEXAGGXCUJP-GXSJLCMTSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576219573 950810726 /nfs/dbraw/zinc/81/07/26/950810726.db2.gz OKBFEXAGGXCUJP-GXSJLCMTSA-N -1 1 378.387 1.351 20 0 GDADMM CC(C)(C)c1nc(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)co1 ZINC001573885080 950810993 /nfs/dbraw/zinc/81/09/93/950810993.db2.gz NYKWHOVYLFOBJR-MGCOHNPYSA-N -1 1 383.416 1.315 20 0 GDADMM CC(C)(C)c1nc(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)co1 ZINC001573885080 950811014 /nfs/dbraw/zinc/81/10/14/950811014.db2.gz NYKWHOVYLFOBJR-MGCOHNPYSA-N -1 1 383.416 1.315 20 0 GDADMM CC(C)c1scnc1C(=O)N(C)C[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574766280 950814300 /nfs/dbraw/zinc/81/43/00/950814300.db2.gz HSUCHJSUUHXSOV-SNVBAGLBSA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)c1scnc1C(=O)N(C)C[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574766280 950814320 /nfs/dbraw/zinc/81/43/20/950814320.db2.gz HSUCHJSUUHXSOV-SNVBAGLBSA-N -1 1 387.473 1.809 20 0 GDADMM C[C@H]1[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)CCN1C(=O)c1ccnnc1 ZINC001575931994 950822905 /nfs/dbraw/zinc/82/29/05/950822905.db2.gz KJELYECTEJZLFQ-IONNQARKSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCN1C(=O)c1ccnnc1 ZINC001575931994 950822924 /nfs/dbraw/zinc/82/29/24/950822924.db2.gz KJELYECTEJZLFQ-IONNQARKSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCN1C(=O)c1ccncn1 ZINC001575932836 950834364 /nfs/dbraw/zinc/83/43/64/950834364.db2.gz NHGSJYYIEBALRV-HTQZYQBOSA-N -1 1 391.848 1.482 20 0 GDADMM CC(C)(C)c1nc[nH]c1C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573885910 950838944 /nfs/dbraw/zinc/83/89/44/950838944.db2.gz XGQNRLZTNYGRIM-JTQLQIEISA-N -1 1 382.432 1.004 20 0 GDADMM CC(C)(C)c1nc[nH]c1C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573885910 950838967 /nfs/dbraw/zinc/83/89/67/950838967.db2.gz XGQNRLZTNYGRIM-JTQLQIEISA-N -1 1 382.432 1.004 20 0 GDADMM C[C@H](CN(C)C(=O)c1scnc1Cl)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574767166 950839905 /nfs/dbraw/zinc/83/99/05/950839905.db2.gz MOVHXIPGEFYSHD-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CN(C)C(=O)c1scnc1Cl)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574767166 950839932 /nfs/dbraw/zinc/83/99/32/950839932.db2.gz MOVHXIPGEFYSHD-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cc2c([nH]1)CCC2 ZINC001575934428 950854921 /nfs/dbraw/zinc/85/49/21/950854921.db2.gz RGUNVWBNPZYOED-JQWIXIFHSA-N -1 1 379.428 1.189 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc2c([nH]1)CCC2 ZINC001575934428 950854955 /nfs/dbraw/zinc/85/49/55/950854955.db2.gz RGUNVWBNPZYOED-JQWIXIFHSA-N -1 1 379.428 1.189 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cc(C2CC2)on1 ZINC001575935444 950877300 /nfs/dbraw/zinc/87/73/00/950877300.db2.gz WLLUPCDQJQUVAF-ONGXEEELSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(C2CC2)on1 ZINC001575935444 950877310 /nfs/dbraw/zinc/87/73/10/950877310.db2.gz WLLUPCDQJQUVAF-ONGXEEELSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H]1CN(C(=O)C2CC3(CCC3)C2)CC[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576226435 950883483 /nfs/dbraw/zinc/88/34/83/950883483.db2.gz BIAMDGPSJFUORN-TZMCWYRMSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@@H]1CN(C(=O)C2CC3(CCC3)C2)CC[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576226435 950883500 /nfs/dbraw/zinc/88/35/00/950883500.db2.gz BIAMDGPSJFUORN-TZMCWYRMSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(C)C[C@H](NC(=O)c2ccco2)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575640823 950906084 /nfs/dbraw/zinc/90/60/84/950906084.db2.gz KWWWCSJZCLNTCB-GFCCVEGCSA-N -1 1 382.428 1.675 20 0 GDADMM CC1(C)C[C@H](NC(=O)c2ccco2)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575640823 950906102 /nfs/dbraw/zinc/90/61/02/950906102.db2.gz KWWWCSJZCLNTCB-GFCCVEGCSA-N -1 1 382.428 1.675 20 0 GDADMM CC1(C)C[C@H](NC(=O)CC2CCC2)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575642553 950946085 /nfs/dbraw/zinc/94/60/85/950946085.db2.gz VTNSOFWMRPWEEH-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)C[C@H](NC(=O)CC2CCC2)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575642553 950946098 /nfs/dbraw/zinc/94/60/98/950946098.db2.gz VTNSOFWMRPWEEH-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CN(C(=O)C2(CF)CCC2)CC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576228597 950949635 /nfs/dbraw/zinc/94/96/35/950949635.db2.gz HVYPXTLEQMAVDL-OLZOCXBDSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@@H]1CN(C(=O)C2(CF)CCC2)CC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576228597 950949651 /nfs/dbraw/zinc/94/96/51/950949651.db2.gz HVYPXTLEQMAVDL-OLZOCXBDSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)CCOCC2)CC[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576228585 950949857 /nfs/dbraw/zinc/94/98/57/950949857.db2.gz HTGVVWDANOAUGS-OLZOCXBDSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)CCOCC2)CC[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576228585 950949871 /nfs/dbraw/zinc/94/98/71/950949871.db2.gz HTGVVWDANOAUGS-OLZOCXBDSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)C[C@H]1C(=O)N1CCC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001575643067 950956245 /nfs/dbraw/zinc/95/62/45/950956245.db2.gz KCNFELQYKVNJRM-DJJJIMSYSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)C[C@H]1C(=O)N1CCC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001575643067 950956263 /nfs/dbraw/zinc/95/62/63/950956263.db2.gz KCNFELQYKVNJRM-DJJJIMSYSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H]1CN(C(=O)C2(CF)CCC2)CC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576229083 950958074 /nfs/dbraw/zinc/95/80/74/950958074.db2.gz ITXVNURCDKGLRE-CHWSQXEVSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@@H]1CN(C(=O)C2(CF)CCC2)CC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576229083 950958094 /nfs/dbraw/zinc/95/80/94/950958094.db2.gz ITXVNURCDKGLRE-CHWSQXEVSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)F)c(F)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575017121 950976371 /nfs/dbraw/zinc/97/63/71/950976371.db2.gz AHZFBWVJYZAPOT-MRVPVSSYSA-N -1 1 392.345 1.964 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)F)c(F)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575017121 950976389 /nfs/dbraw/zinc/97/63/89/950976389.db2.gz AHZFBWVJYZAPOT-MRVPVSSYSA-N -1 1 392.345 1.964 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ncc(Cl)s1 ZINC001575938435 950981203 /nfs/dbraw/zinc/98/12/03/950981203.db2.gz NKUAWENYSSBSBZ-SFYZADRCSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ncc(Cl)s1 ZINC001575938435 950981215 /nfs/dbraw/zinc/98/12/15/950981215.db2.gz NKUAWENYSSBSBZ-SFYZADRCSA-N -1 1 391.848 1.482 20 0 GDADMM CC(C)(CC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)CC(F)F ZINC001573900023 950991739 /nfs/dbraw/zinc/99/17/39/950991739.db2.gz PRSBMNPCSHRTIV-MGCOHNPYSA-N -1 1 380.403 1.787 20 0 GDADMM CC(C)(CC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)CC(F)F ZINC001573900023 950991751 /nfs/dbraw/zinc/99/17/51/950991751.db2.gz PRSBMNPCSHRTIV-MGCOHNPYSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)F)nc1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575018193 951018832 /nfs/dbraw/zinc/01/88/32/951018832.db2.gz MIDXHYGJPKNNIN-VIFPVBQESA-N -1 1 389.370 1.467 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)F)nc1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575018193 951018847 /nfs/dbraw/zinc/01/88/47/951018847.db2.gz MIDXHYGJPKNNIN-VIFPVBQESA-N -1 1 389.370 1.467 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(-n2cccc2)nc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575018927 951028253 /nfs/dbraw/zinc/02/82/53/951028253.db2.gz RPZPUDZRUIBRJT-LBPRGKRZSA-N -1 1 390.411 1.073 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(-n2cccc2)nc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575018927 951028268 /nfs/dbraw/zinc/02/82/68/951028268.db2.gz RPZPUDZRUIBRJT-LBPRGKRZSA-N -1 1 390.411 1.073 20 0 GDADMM CC(C)c1ccc(C(=O)NC[C@@H](C)CNc2ccnc(-c3nn[n-]n3)n2)nc1 ZINC001575019092 951033563 /nfs/dbraw/zinc/03/35/63/951033563.db2.gz RODFCOXQRMPFCT-LBPRGKRZSA-N -1 1 381.444 1.075 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C2CCC2)cc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575021676 951067994 /nfs/dbraw/zinc/06/79/94/951067994.db2.gz FXRUUPHPBQZNBZ-LBPRGKRZSA-N -1 1 378.440 1.577 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)s1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575022780 951074078 /nfs/dbraw/zinc/07/40/78/951074078.db2.gz JIHZNWRSJGPWAA-MRVPVSSYSA-N -1 1 378.849 1.272 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)s1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575023887 951085496 /nfs/dbraw/zinc/08/54/96/951085496.db2.gz RLCRUGFXUGLBFK-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)s1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575023887 951085505 /nfs/dbraw/zinc/08/55/05/951085505.db2.gz RLCRUGFXUGLBFK-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCCC2)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575024323 951098570 /nfs/dbraw/zinc/09/85/70/951098570.db2.gz AXAFIJBIRNBACI-CYBMUJFWSA-N -1 1 392.467 1.790 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCCC2)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575024323 951098591 /nfs/dbraw/zinc/09/85/91/951098591.db2.gz AXAFIJBIRNBACI-CYBMUJFWSA-N -1 1 392.467 1.790 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCC=C2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575024819 951115173 /nfs/dbraw/zinc/11/51/73/951115173.db2.gz NFRHNNTVFGEFKX-GFCCVEGCSA-N -1 1 376.424 1.847 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCC=C2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575024819 951115177 /nfs/dbraw/zinc/11/51/77/951115177.db2.gz NFRHNNTVFGEFKX-GFCCVEGCSA-N -1 1 376.424 1.847 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)cc1Cl)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575024962 951121138 /nfs/dbraw/zinc/12/11/38/951121138.db2.gz QNLRDGFHIUPDHC-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)cc1Cl)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575024962 951121148 /nfs/dbraw/zinc/12/11/48/951121148.db2.gz QNLRDGFHIUPDHC-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@H](CNC(=O)c1cccc(Cl)c1F)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575026232 951140572 /nfs/dbraw/zinc/14/05/72/951140572.db2.gz HGRMEXUIPDCWLL-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1cccc(Cl)c1F)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575026232 951140581 /nfs/dbraw/zinc/14/05/81/951140581.db2.gz HGRMEXUIPDCWLL-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1cccc2cnccc21)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575027636 951163603 /nfs/dbraw/zinc/16/36/03/951163603.db2.gz HHGYZJRXVVZCGA-LBPRGKRZSA-N -1 1 389.423 1.105 20 0 GDADMM CC(C)c1cccc(C(=O)NC[C@H](C)CNc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001575028407 951172132 /nfs/dbraw/zinc/17/21/32/951172132.db2.gz WLPLOZQWRHBUOG-CYBMUJFWSA-N -1 1 380.456 1.680 20 0 GDADMM C[C@H](CNC(=O)c1cccc2c1CCCC2)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575028560 951176888 /nfs/dbraw/zinc/17/68/88/951176888.db2.gz OFQKCADUZWIRBG-CYBMUJFWSA-N -1 1 392.467 1.790 20 0 GDADMM C[C@H](CNC(=O)c1cccc2c1CCCC2)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575029952 951191713 /nfs/dbraw/zinc/19/17/13/951191713.db2.gz YWLBHCNKJVYPQE-CYBMUJFWSA-N -1 1 392.467 1.790 20 0 GDADMM C[C@H](CNC(=O)c1cccc2c1CCCC2)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575029952 951191716 /nfs/dbraw/zinc/19/17/16/951191716.db2.gz YWLBHCNKJVYPQE-CYBMUJFWSA-N -1 1 392.467 1.790 20 0 GDADMM C[C@@H](CNC(=O)c1ccccn1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001575031467 951194620 /nfs/dbraw/zinc/19/46/20/951194620.db2.gz ALUSBZMMVDBCDP-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@@H](CNC(=O)c1ccccn1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001575031467 951194629 /nfs/dbraw/zinc/19/46/29/951194629.db2.gz ALUSBZMMVDBCDP-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@H](CNC(=O)c1ccnn1C1CCCC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575034562 951249316 /nfs/dbraw/zinc/24/93/16/951249316.db2.gz NOCQFBHOGOYOGU-LLVKDONJSA-N -1 1 382.432 1.199 20 0 GDADMM C[C@H](CNC(=O)c1ccnn1C1CCCC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575034562 951249327 /nfs/dbraw/zinc/24/93/27/951249327.db2.gz NOCQFBHOGOYOGU-LLVKDONJSA-N -1 1 382.432 1.199 20 0 GDADMM C[C@H](CNC(=O)c1ccn(C)c1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575036444 951293769 /nfs/dbraw/zinc/29/37/69/951293769.db2.gz RUYKELFWINSANR-MRVPVSSYSA-N -1 1 380.865 1.570 20 0 GDADMM C[C@H](CNC(=O)c1ccsn1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575038141 951315055 /nfs/dbraw/zinc/31/50/55/951315055.db2.gz GEFIQQAUFODEBD-ZCFIWIBFSA-N -1 1 384.878 1.911 20 0 GDADMM C[C@H](CNC(=O)c1ccsn1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575038141 951315066 /nfs/dbraw/zinc/31/50/66/951315066.db2.gz GEFIQQAUFODEBD-ZCFIWIBFSA-N -1 1 384.878 1.911 20 0 GDADMM CCOc1ccc([C@H](O)C2CCN([C@H]3CCN(CC(=O)[O-])C3=O)CC2)cc1 ZINC001592425679 951328296 /nfs/dbraw/zinc/32/82/96/951328296.db2.gz JKZFNQVQPPEVPW-HKUYNNGSSA-N -1 1 376.453 1.516 20 0 GDADMM C[C@@H](CNC(=O)c1ccsc1Cl)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575040053 951336843 /nfs/dbraw/zinc/33/68/43/951336843.db2.gz TVGMRQTUKRAPGI-MRVPVSSYSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@@H](CNC(=O)c1ccsc1Cl)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575040053 951336855 /nfs/dbraw/zinc/33/68/55/951336855.db2.gz TVGMRQTUKRAPGI-MRVPVSSYSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@@H](CNC(=O)c1cnn(C)c1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575052824 951471177 /nfs/dbraw/zinc/47/11/77/951471177.db2.gz OQMLPMMWWLVWBQ-ZETCQYMHSA-N -1 1 381.853 1.188 20 0 GDADMM C[C@H](CNC(=O)c1cnns1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001575053258 951475754 /nfs/dbraw/zinc/47/57/54/951475754.db2.gz AQQAIEBWNUVFQM-RXMQYKEDSA-N -1 1 385.866 1.083 20 0 GDADMM C[C@H](CNC(=O)c1cnns1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001575053258 951475758 /nfs/dbraw/zinc/47/57/58/951475758.db2.gz AQQAIEBWNUVFQM-RXMQYKEDSA-N -1 1 385.866 1.083 20 0 GDADMM C[C@@H](CNC(=O)c1coc(C(F)F)c1)CNc1nccnc1-c1nnn[n-]1 ZINC001575058040 951535537 /nfs/dbraw/zinc/53/55/37/951535537.db2.gz UFFNTBQPNAKGBC-MRVPVSSYSA-N -1 1 378.343 1.665 20 0 GDADMM C[C@@H](CNC(=O)c1coc(C(F)F)c1)CNc1nccnc1-c1nn[n-]n1 ZINC001575058040 951535542 /nfs/dbraw/zinc/53/55/42/951535542.db2.gz UFFNTBQPNAKGBC-MRVPVSSYSA-N -1 1 378.343 1.665 20 0 GDADMM C[C@@H](CNC(=O)c1csnn1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575061562 951558473 /nfs/dbraw/zinc/55/84/73/951558473.db2.gz NJVXYWIDXGZOCT-YFKPBYRVSA-N -1 1 385.866 1.083 20 0 GDADMM C[C@@H](CNC(=O)c1csnn1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575061562 951558482 /nfs/dbraw/zinc/55/84/82/951558482.db2.gz NJVXYWIDXGZOCT-YFKPBYRVSA-N -1 1 385.866 1.083 20 0 GDADMM C[C@@H](CNC(=O)c1nc(Cl)cs1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575062564 951572195 /nfs/dbraw/zinc/57/21/95/951572195.db2.gz XSQJPJWCUALDGE-ZETCQYMHSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@@H](CNC(=O)c1nc(Cl)cs1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575062564 951572199 /nfs/dbraw/zinc/57/21/99/951572199.db2.gz XSQJPJWCUALDGE-ZETCQYMHSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@H](CNC(=O)c1ncc(Cl)s1)CNc1nccnc1-c1nnn[n-]1 ZINC001575062867 951573825 /nfs/dbraw/zinc/57/38/25/951573825.db2.gz ZVBYXFNFRRXSNE-ZETCQYMHSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@H](CNC(=O)c1ncc(Cl)s1)CNc1nccnc1-c1nn[n-]n1 ZINC001575062867 951573829 /nfs/dbraw/zinc/57/38/29/951573829.db2.gz ZVBYXFNFRRXSNE-ZETCQYMHSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1cscn1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575062848 951573854 /nfs/dbraw/zinc/57/38/54/951573854.db2.gz ZQDIWIRUKBIFBQ-LURJTMIESA-N -1 1 384.878 1.688 20 0 GDADMM C[C@@H](CNC(=O)c1nccs1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001575066019 951592280 /nfs/dbraw/zinc/59/22/80/951592280.db2.gz DAJIFKNGRDDJCS-LURJTMIESA-N -1 1 384.878 1.688 20 0 GDADMM C[C@@H](CNC(=O)c1nccs1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001575066019 951592288 /nfs/dbraw/zinc/59/22/88/951592288.db2.gz DAJIFKNGRDDJCS-LURJTMIESA-N -1 1 384.878 1.688 20 0 GDADMM C[C@H](CNC(=O)c1scnc1C(C)(C)C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575068560 951636758 /nfs/dbraw/zinc/63/67/58/951636758.db2.gz AVFSCFAIRVYGJP-SECBINFHSA-N -1 1 387.473 1.641 20 0 GDADMM C[C@H](CNC(=O)c1scnc1C(C)(C)C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575068560 951636768 /nfs/dbraw/zinc/63/67/68/951636768.db2.gz AVFSCFAIRVYGJP-SECBINFHSA-N -1 1 387.473 1.641 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@]2(CCCCN2[C@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC001602889148 971792540 /nfs/dbraw/zinc/79/25/40/971792540.db2.gz QDILCDIBIONEDA-MGPUTAFESA-N -1 1 395.500 1.928 20 0 GDADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)CC1CC(F)(F)C1)C1CC1 ZINC001575129634 952084274 /nfs/dbraw/zinc/08/42/74/952084274.db2.gz XTKDCSCCNNCWTB-INIZCTEOSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)CC1CC(F)(F)C1)C1CC1 ZINC001575129634 952084280 /nfs/dbraw/zinc/08/42/80/952084280.db2.gz XTKDCSCCNNCWTB-INIZCTEOSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@H]1Cc2ccc(F)cc21 ZINC001575131867 952089562 /nfs/dbraw/zinc/08/95/62/952089562.db2.gz BYINNNHYFOKEJD-YGRLFVJLSA-N -1 1 382.403 1.395 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@H]1Cc2ccc(F)cc21 ZINC001575131867 952089571 /nfs/dbraw/zinc/08/95/71/952089571.db2.gz BYINNNHYFOKEJD-YGRLFVJLSA-N -1 1 382.403 1.395 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)Cc1cccc(Cl)c1 ZINC001575132459 952092825 /nfs/dbraw/zinc/09/28/25/952092825.db2.gz FKHOQBYAOWQDRQ-LLVKDONJSA-N -1 1 386.847 1.812 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)Cc1cccc(Cl)c1 ZINC001575132459 952092834 /nfs/dbraw/zinc/09/28/34/952092834.db2.gz FKHOQBYAOWQDRQ-LLVKDONJSA-N -1 1 386.847 1.812 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ccn(C(C)(C)C)n1 ZINC001575132707 952095771 /nfs/dbraw/zinc/09/57/71/952095771.db2.gz AGBOCOOEVRICIE-LLVKDONJSA-N -1 1 384.448 1.181 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ccn(C(C)(C)C)n1 ZINC001575132707 952095775 /nfs/dbraw/zinc/09/57/75/952095775.db2.gz AGBOCOOEVRICIE-LLVKDONJSA-N -1 1 384.448 1.181 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cnn(C2CCC2)c1 ZINC001575136929 952130931 /nfs/dbraw/zinc/13/09/31/952130931.db2.gz RYHLDLQZPTZVII-LLVKDONJSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cnn(C2CCC2)c1 ZINC001575136929 952130937 /nfs/dbraw/zinc/13/09/37/952130937.db2.gz RYHLDLQZPTZVII-LLVKDONJSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)CCc1ccoc1)C1CC1 ZINC001575143538 952154236 /nfs/dbraw/zinc/15/42/36/952154236.db2.gz QDXNHGCTQDDDQE-SFHVURJKSA-N -1 1 382.428 1.001 20 0 GDADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)Cc1ccccc1)C1CC1 ZINC001575143809 952158254 /nfs/dbraw/zinc/15/82/54/952158254.db2.gz SACHDMPWYSJGAM-IBGZPJMESA-N -1 1 378.440 1.018 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C[C@@H]1CCCC1(F)F ZINC001575144152 952162839 /nfs/dbraw/zinc/16/28/39/952162839.db2.gz UNSSEVCJKLUBKT-QWRGUYRKSA-N -1 1 380.403 1.163 20 0 GDADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)[C@H]1CCCC12CC2)C1CC1 ZINC001575147470 952201032 /nfs/dbraw/zinc/20/10/32/952201032.db2.gz UVVMAGLTIOFZKB-ACJLOTCBSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)[C@H]1CCCC12CC2)C1CC1 ZINC001575147470 952201034 /nfs/dbraw/zinc/20/10/34/952201034.db2.gz UVVMAGLTIOFZKB-ACJLOTCBSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)C[C@@H]1CCCCO1)C1CC1 ZINC001575147806 952201266 /nfs/dbraw/zinc/20/12/66/952201266.db2.gz WEEMQZBFAIWQPB-UGSOOPFHSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)C[C@@H]1CCCCO1)C1CC1 ZINC001575147806 952201269 /nfs/dbraw/zinc/20/12/69/952201269.db2.gz WEEMQZBFAIWQPB-UGSOOPFHSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)Cc1ccc(F)cc1F ZINC001575153519 952210077 /nfs/dbraw/zinc/21/00/77/952210077.db2.gz HWWGBQKIJXIOOT-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)Cc1ccc(F)cc1F ZINC001575153519 952210081 /nfs/dbraw/zinc/21/00/81/952210081.db2.gz HWWGBQKIJXIOOT-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)C[C@@H]1CCC(C)(C)CO1 ZINC001575154564 952226324 /nfs/dbraw/zinc/22/63/24/952226324.db2.gz SOTILTOBKZSXOT-OLZOCXBDSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)C[C@@H]1CCC(C)(C)CO1 ZINC001575154564 952226329 /nfs/dbraw/zinc/22/63/29/952226329.db2.gz SOTILTOBKZSXOT-OLZOCXBDSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cc2c(o1)CCCC2 ZINC001575154636 952228243 /nfs/dbraw/zinc/22/82/43/952228243.db2.gz GOJCABDYOBSVBO-NSHDSACASA-N -1 1 382.428 1.701 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cc2c(o1)CCCC2 ZINC001575154636 952228249 /nfs/dbraw/zinc/22/82/49/952228249.db2.gz GOJCABDYOBSVBO-NSHDSACASA-N -1 1 382.428 1.701 20 0 GDADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)[C@@H]1Cc2ccccc21)C1CC1 ZINC001575156213 952250302 /nfs/dbraw/zinc/25/03/02/952250302.db2.gz QVNRNORRAGUSHP-QRWLVFNGSA-N -1 1 390.451 1.693 20 0 GDADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)[C@@H]1Cc2ccccc21)C1CC1 ZINC001575156213 952250305 /nfs/dbraw/zinc/25/03/05/952250305.db2.gz QVNRNORRAGUSHP-QRWLVFNGSA-N -1 1 390.451 1.693 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001575156710 952256795 /nfs/dbraw/zinc/25/67/95/952256795.db2.gz HRMKSGYEGQABQU-ZQGRQUNCSA-N -1 1 392.467 1.893 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001575156710 952256802 /nfs/dbraw/zinc/25/68/02/952256802.db2.gz HRMKSGYEGQABQU-ZQGRQUNCSA-N -1 1 392.467 1.893 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cc(F)c(F)c(F)c1 ZINC001575157349 952263839 /nfs/dbraw/zinc/26/38/39/952263839.db2.gz LSUHNOGHXQMMRV-MRVPVSSYSA-N -1 1 392.345 1.647 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(F)c(F)c(F)c1 ZINC001575157349 952263844 /nfs/dbraw/zinc/26/38/44/952263844.db2.gz LSUHNOGHXQMMRV-MRVPVSSYSA-N -1 1 392.345 1.647 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cc2c([nH]1)CCCC2 ZINC001575158612 952273030 /nfs/dbraw/zinc/27/30/30/952273030.db2.gz WPAGJPOKDOEETB-NSHDSACASA-N -1 1 381.444 1.436 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc2c([nH]1)CCCC2 ZINC001575158612 952273033 /nfs/dbraw/zinc/27/30/33/952273033.db2.gz WPAGJPOKDOEETB-NSHDSACASA-N -1 1 381.444 1.436 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CC[C@H]1CC(C)(C)CO1 ZINC001575159032 952275323 /nfs/dbraw/zinc/27/53/23/952275323.db2.gz YCNUIVHWNVUUCF-STQMWFEESA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CC[C@H]1CC(C)(C)CO1 ZINC001575159032 952275329 /nfs/dbraw/zinc/27/53/29/952275329.db2.gz YCNUIVHWNVUUCF-STQMWFEESA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)C[C@@H]1CCOC1 ZINC001575164091 952287145 /nfs/dbraw/zinc/28/71/45/952287145.db2.gz BJRGEOIEOIBXOZ-IUCAKERBSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)c1ccn(C)n1 ZINC001575164318 952291664 /nfs/dbraw/zinc/29/16/64/952291664.db2.gz CYRKWANMRXRNID-SSDOTTSWSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)c1ccn(C)n1 ZINC001575164318 952291671 /nfs/dbraw/zinc/29/16/71/952291671.db2.gz CYRKWANMRXRNID-SSDOTTSWSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)Cc1ccon1 ZINC001575164617 952294695 /nfs/dbraw/zinc/29/46/95/952294695.db2.gz GIUMTYLOBAGBLH-SSDOTTSWSA-N -1 1 382.837 1.466 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)Cc1ccon1 ZINC001575164617 952294699 /nfs/dbraw/zinc/29/46/99/952294699.db2.gz GIUMTYLOBAGBLH-SSDOTTSWSA-N -1 1 382.837 1.466 20 0 GDADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)[C@]1(F)CCOC1 ZINC001575164595 952295287 /nfs/dbraw/zinc/29/52/87/952295287.db2.gz FYYKQOMYROKHKG-UHLUBPPHSA-N -1 1 389.844 1.364 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001575164601 952295833 /nfs/dbraw/zinc/29/58/33/952295833.db2.gz FZFKSQAVTXUSKB-RBXMUDONSA-N -1 1 383.865 1.128 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001575164601 952295841 /nfs/dbraw/zinc/29/58/41/952295841.db2.gz FZFKSQAVTXUSKB-RBXMUDONSA-N -1 1 383.865 1.128 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)c1ccnnc1 ZINC001575165560 952310648 /nfs/dbraw/zinc/31/06/48/952310648.db2.gz OYDGDXZTKCTDPG-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)c1ccnnc1 ZINC001575165560 952310653 /nfs/dbraw/zinc/31/06/53/952310653.db2.gz OYDGDXZTKCTDPG-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)COCC1CC1 ZINC001575166233 952322083 /nfs/dbraw/zinc/32/20/83/952322083.db2.gz UBIRDGVHOHEKPL-MRVPVSSYSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)COCC1CC1 ZINC001575166233 952322091 /nfs/dbraw/zinc/32/20/91/952322091.db2.gz UBIRDGVHOHEKPL-MRVPVSSYSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)[C@@]1(C)CCOC1 ZINC001575166200 952322257 /nfs/dbraw/zinc/32/22/57/952322257.db2.gz SVFHKRXZJPLNQR-RTHLEPHNSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)[C@H]1Cc2ccccc21)C1CC1 ZINC001575175181 952383259 /nfs/dbraw/zinc/38/32/59/952383259.db2.gz VQOZSAKCYZOWEK-MGPUTAFESA-N -1 1 390.451 1.693 20 0 GDADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)[C@H]1Cc2ccccc21)C1CC1 ZINC001575175181 952383265 /nfs/dbraw/zinc/38/32/65/952383265.db2.gz VQOZSAKCYZOWEK-MGPUTAFESA-N -1 1 390.451 1.693 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1nccc2occc21 ZINC001575178240 952405056 /nfs/dbraw/zinc/40/50/56/952405056.db2.gz LNYKGKMHOVGLSE-JTQLQIEISA-N -1 1 379.384 1.371 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1nccc2occc21 ZINC001575178240 952405061 /nfs/dbraw/zinc/40/50/61/952405061.db2.gz LNYKGKMHOVGLSE-JTQLQIEISA-N -1 1 379.384 1.371 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)Cc1ccc(F)cc1F ZINC001575180660 952419702 /nfs/dbraw/zinc/41/97/02/952419702.db2.gz WNKRBXIGBHTVSX-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)Cc1ccc(F)cc1F ZINC001575180660 952419706 /nfs/dbraw/zinc/41/97/06/952419706.db2.gz WNKRBXIGBHTVSX-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N(C)C1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001575190642 952464152 /nfs/dbraw/zinc/46/41/52/952464152.db2.gz VEDMGNGOIQKSDN-HIFPTAJRSA-N -1 1 382.428 1.530 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N(C)C1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001575190642 952464154 /nfs/dbraw/zinc/46/41/54/952464154.db2.gz VEDMGNGOIQKSDN-HIFPTAJRSA-N -1 1 382.428 1.530 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001575197169 952481095 /nfs/dbraw/zinc/48/10/95/952481095.db2.gz OKMAOEAIWRUIJH-AVGNSLFASA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001575197169 952481100 /nfs/dbraw/zinc/48/11/00/952481100.db2.gz OKMAOEAIWRUIJH-AVGNSLFASA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C ZINC001575197378 952482622 /nfs/dbraw/zinc/48/26/22/952482622.db2.gz VFBIEHBPMKGWQY-SCRDCRAPSA-N -1 1 382.428 1.212 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C ZINC001575197378 952482625 /nfs/dbraw/zinc/48/26/25/952482625.db2.gz VFBIEHBPMKGWQY-SCRDCRAPSA-N -1 1 382.428 1.212 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575197450 952484817 /nfs/dbraw/zinc/48/48/17/952484817.db2.gz WGSCKMMLDOSXME-OLZOCXBDSA-N -1 1 382.428 1.071 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575197450 952484822 /nfs/dbraw/zinc/48/48/22/952484822.db2.gz WGSCKMMLDOSXME-OLZOCXBDSA-N -1 1 382.428 1.071 20 0 GDADMM O=C(N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccc(C2CC2)cc1 ZINC001571120144 952500090 /nfs/dbraw/zinc/50/00/90/952500090.db2.gz JYPLWBBGZJZVHH-OAHLLOKOSA-N -1 1 376.424 1.543 20 0 GDADMM O=C(N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccc(C2CC2)cc1 ZINC001571120144 952500099 /nfs/dbraw/zinc/50/00/99/952500099.db2.gz JYPLWBBGZJZVHH-OAHLLOKOSA-N -1 1 376.424 1.543 20 0 GDADMM CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NCc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571121916 952522045 /nfs/dbraw/zinc/52/20/45/952522045.db2.gz DXVTXIUEKLTRSW-NWDGAFQWSA-N -1 1 376.486 1.829 20 0 GDADMM Cc1nsc(N[C@]2(CO)CCCN(C(=O)CC3CC3)C2)c1-c1nn[n-]n1 ZINC001571127359 952554347 /nfs/dbraw/zinc/55/43/47/952554347.db2.gz FFWFTXVUCAPUAC-MRXNPFEDSA-N -1 1 377.474 1.197 20 0 GDADMM COCCn1nc(C)c(NC(=O)NCc2nc(-c3nnn[n-]3)cs2)c1C ZINC001571127463 952555625 /nfs/dbraw/zinc/55/56/25/952555625.db2.gz JTUCYAQFVSUOGP-UHFFFAOYSA-N -1 1 377.434 1.105 20 0 GDADMM COCCn1nc(C)c(NC(=O)NCc2nc(-c3nn[n-]n3)cs2)c1C ZINC001571127463 952555628 /nfs/dbraw/zinc/55/56/28/952555628.db2.gz JTUCYAQFVSUOGP-UHFFFAOYSA-N -1 1 377.434 1.105 20 0 GDADMM Cc1nsc(NC2CCN(C(=O)[C@H]3C[C@@H](C)CO3)CC2)c1-c1nn[n-]n1 ZINC001571128569 952568718 /nfs/dbraw/zinc/56/87/18/952568718.db2.gz UVODYFDFJMACKS-BXKDBHETSA-N -1 1 377.474 1.460 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001575215525 952569187 /nfs/dbraw/zinc/56/91/87/952569187.db2.gz VIPIPHIDAAAPOG-SNVBAGLBSA-N -1 1 380.403 1.645 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001575215525 952569192 /nfs/dbraw/zinc/56/91/92/952569192.db2.gz VIPIPHIDAAAPOG-SNVBAGLBSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)[C@@H]1CCN(C(=O)C2(C(F)F)CC2)C1 ZINC001571129535 952575425 /nfs/dbraw/zinc/57/54/25/952575425.db2.gz GISDXRJZPSYVMQ-VHSXEESVSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)C2(C(F)F)CC2)C1 ZINC001571129535 952575428 /nfs/dbraw/zinc/57/54/28/952575428.db2.gz GISDXRJZPSYVMQ-VHSXEESVSA-N -1 1 378.387 1.351 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC2CCC(NC(=O)[C@H]3CC3(F)F)CC2)n1 ZINC001571129888 952577375 /nfs/dbraw/zinc/57/73/75/952577375.db2.gz KVRYORRQSSTPDX-VQXHTEKXSA-N -1 1 378.387 1.460 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC2CCC(NC(=O)[C@H]3CC3(F)F)CC2)n1 ZINC001571129888 952577376 /nfs/dbraw/zinc/57/73/76/952577376.db2.gz KVRYORRQSSTPDX-VQXHTEKXSA-N -1 1 378.387 1.460 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571130107 952578317 /nfs/dbraw/zinc/57/83/17/952578317.db2.gz OKBFEXAGGXCUJP-MWLCHTKSSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571130107 952578319 /nfs/dbraw/zinc/57/83/19/952578319.db2.gz OKBFEXAGGXCUJP-MWLCHTKSSA-N -1 1 378.387 1.351 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)[C@@H]1CCCCC1(F)F ZINC001571130215 952579458 /nfs/dbraw/zinc/57/94/58/952579458.db2.gz PWMGXSLLHZJXDE-AXFHLTTASA-N -1 1 378.387 1.541 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)[C@@H]1CCCCC1(F)F ZINC001571130215 952579462 /nfs/dbraw/zinc/57/94/62/952579462.db2.gz PWMGXSLLHZJXDE-AXFHLTTASA-N -1 1 378.387 1.541 20 0 GDADMM O=C(N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C1CC(F)(F)C1 ZINC001571130919 952583096 /nfs/dbraw/zinc/58/30/96/952583096.db2.gz YLULDNQJKIZAMS-NSHDSACASA-N -1 1 378.387 1.177 20 0 GDADMM O=C(N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C1CC(F)(F)C1 ZINC001571130919 952583098 /nfs/dbraw/zinc/58/30/98/952583098.db2.gz YLULDNQJKIZAMS-NSHDSACASA-N -1 1 378.387 1.177 20 0 GDADMM Cc1cccc(C)c1C(=O)NC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571134042 952584445 /nfs/dbraw/zinc/58/44/45/952584445.db2.gz CCVFXJXJOWOTIL-CQSZACIVSA-N -1 1 378.440 1.530 20 0 GDADMM Cc1cccc(C)c1C(=O)NC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571134042 952584449 /nfs/dbraw/zinc/58/44/49/952584449.db2.gz CCVFXJXJOWOTIL-CQSZACIVSA-N -1 1 378.440 1.530 20 0 GDADMM CC1(NC(=O)C2C=CC=CC=C2)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571134364 952589397 /nfs/dbraw/zinc/58/93/97/952589397.db2.gz DXRDBXKKKPMHJO-UHFFFAOYSA-N -1 1 378.440 1.430 20 0 GDADMM C[C@H]1C[C@H](NC(=O)C2C=CC=CC=C2)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571134776 952595277 /nfs/dbraw/zinc/59/52/77/952595277.db2.gz LLIDOJSLAGDXTE-DZGCQCFKSA-N -1 1 378.440 1.429 20 0 GDADMM C[C@H]1C[C@H](NC(=O)C2C=CC=CC=C2)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571134776 952595279 /nfs/dbraw/zinc/59/52/79/952595279.db2.gz LLIDOJSLAGDXTE-DZGCQCFKSA-N -1 1 378.440 1.429 20 0 GDADMM Cc1cc(C)cc(C(=O)N2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C[C@@H]2C)c1 ZINC001571135607 952605631 /nfs/dbraw/zinc/60/56/31/952605631.db2.gz YPWNQYUQAJUVRD-DZGCQCFKSA-N -1 1 378.440 1.989 20 0 GDADMM Cc1cc(C)cc(C(=O)N2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C[C@@H]2C)c1 ZINC001571135607 952605634 /nfs/dbraw/zinc/60/56/34/952605634.db2.gz YPWNQYUQAJUVRD-DZGCQCFKSA-N -1 1 378.440 1.989 20 0 GDADMM CN(C)c1nc(CCNC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)cs1 ZINC001571140205 952623275 /nfs/dbraw/zinc/62/32/75/952623275.db2.gz OWBFRMSKHCZTIX-UHFFFAOYSA-N -1 1 379.396 1.640 20 0 GDADMM CN(C)c1nc(CCNC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)cs1 ZINC001571140205 952623277 /nfs/dbraw/zinc/62/32/77/952623277.db2.gz OWBFRMSKHCZTIX-UHFFFAOYSA-N -1 1 379.396 1.640 20 0 GDADMM COC(=O)c1ccc(Cn2c(=O)c(-c3nn[n-]n3)ccc2C(F)(F)F)cc1 ZINC001571141990 952637715 /nfs/dbraw/zinc/63/77/15/952637715.db2.gz MSRWLFVIXSAGKN-UHFFFAOYSA-N -1 1 379.298 1.882 20 0 GDADMM COc1ncc(NC(=O)c2c(Br)cnn2C)cc1-c1nn[n-]n1 ZINC001571142012 952638384 /nfs/dbraw/zinc/63/83/84/952638384.db2.gz NHHYRVMHTYBMQS-UHFFFAOYSA-N -1 1 379.178 1.019 20 0 GDADMM CCc1cccnc1C(=O)NC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571147533 952662345 /nfs/dbraw/zinc/66/23/45/952662345.db2.gz NEKLCQHGESXGLZ-ZDUSSCGKSA-N -1 1 379.428 1.013 20 0 GDADMM CCc1cccnc1C(=O)NC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571147533 952662350 /nfs/dbraw/zinc/66/23/50/952662350.db2.gz NEKLCQHGESXGLZ-ZDUSSCGKSA-N -1 1 379.428 1.013 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cccnc2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571147884 952664370 /nfs/dbraw/zinc/66/43/70/952664370.db2.gz RSJYLCZFMBVLOO-GXTWGEPZSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cccnc2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571147884 952664373 /nfs/dbraw/zinc/66/43/73/952664373.db2.gz RSJYLCZFMBVLOO-GXTWGEPZSA-N -1 1 379.428 1.405 20 0 GDADMM CCc1ccnc(C(=O)NC[C@H]2CCCN2c2nccnc2-c2nnn[n-]2)c1 ZINC001571147960 952664583 /nfs/dbraw/zinc/66/45/83/952664583.db2.gz SBQSXAHAOLBXPO-CYBMUJFWSA-N -1 1 379.428 1.013 20 0 GDADMM CCc1ccnc(C(=O)NC[C@H]2CCCN2c2nccnc2-c2nn[n-]n2)c1 ZINC001571147960 952664587 /nfs/dbraw/zinc/66/45/87/952664587.db2.gz SBQSXAHAOLBXPO-CYBMUJFWSA-N -1 1 379.428 1.013 20 0 GDADMM CN(C(=O)c1cccnc1)C1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571148099 952665324 /nfs/dbraw/zinc/66/53/24/952665324.db2.gz UYXINVUPDQFNFX-UHFFFAOYSA-N -1 1 379.428 1.547 20 0 GDADMM CN(C(=O)c1cccnc1)C1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571148099 952665325 /nfs/dbraw/zinc/66/53/25/952665325.db2.gz UYXINVUPDQFNFX-UHFFFAOYSA-N -1 1 379.428 1.547 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ccncc1 ZINC001571148220 952665738 /nfs/dbraw/zinc/66/57/38/952665738.db2.gz VUVMRKBGBGVGAD-GXTWGEPZSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ccncc1 ZINC001571148220 952665743 /nfs/dbraw/zinc/66/57/43/952665743.db2.gz VUVMRKBGBGVGAD-GXTWGEPZSA-N -1 1 379.428 1.258 20 0 GDADMM O=C(c1cccnc1)N1CCC(CCNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571151794 952678895 /nfs/dbraw/zinc/67/88/95/952678895.db2.gz XMRYDPZESXHMBE-UHFFFAOYSA-N -1 1 379.428 1.406 20 0 GDADMM O=C(c1cccnc1)N1CCC(CCNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571151794 952678898 /nfs/dbraw/zinc/67/88/98/952678898.db2.gz XMRYDPZESXHMBE-UHFFFAOYSA-N -1 1 379.428 1.406 20 0 GDADMM COC(=O)c1cccc(C(=O)Nc2ncc3c(c2-c2nn[n-]n2)COCC3)c1 ZINC001571152622 952682999 /nfs/dbraw/zinc/68/29/99/952682999.db2.gz IAGIVOOJDHFYLL-UHFFFAOYSA-N -1 1 380.364 1.373 20 0 GDADMM CO[C@@H](C(=O)N1CC[C@H](N(C)c2snc(C)c2-c2nn[n-]n2)C1)C(C)C ZINC001571152660 952683483 /nfs/dbraw/zinc/68/34/83/952683483.db2.gz JJAWURUJPRUNAS-WCQYABFASA-N -1 1 379.490 1.340 20 0 GDADMM O=C(N[C@@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1)[C@H]1CC12CCC2 ZINC001571153673 952687201 /nfs/dbraw/zinc/68/72/01/952687201.db2.gz TYJQZBLMKCUIDK-RKDXNWHRSA-N -1 1 379.877 1.862 20 0 GDADMM O=C(N[C@@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1)[C@H]1CC12CCC2 ZINC001571153673 952687205 /nfs/dbraw/zinc/68/72/05/952687205.db2.gz TYJQZBLMKCUIDK-RKDXNWHRSA-N -1 1 379.877 1.862 20 0 GDADMM C[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNc1ncccc1-c1nn[nH]n1 ZINC001571155345 952695650 /nfs/dbraw/zinc/69/56/50/952695650.db2.gz OSQJHCWIOVULSG-VXGBXAGGSA-N -1 1 380.412 1.183 20 0 GDADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)c1ccco1 ZINC001571155453 952696656 /nfs/dbraw/zinc/69/66/56/952696656.db2.gz SLGSFMSOUHEXLT-SFTQSGBHSA-N -1 1 380.412 1.279 20 0 GDADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)c1ccco1 ZINC001571155453 952696659 /nfs/dbraw/zinc/69/66/59/952696659.db2.gz SLGSFMSOUHEXLT-SFTQSGBHSA-N -1 1 380.412 1.279 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CN(C(=O)c3ncccc3C)C[C@@H]2C)n1 ZINC001571156650 952703398 /nfs/dbraw/zinc/70/33/98/952703398.db2.gz GDDYASRWUJTWMD-FZMZJTMJSA-N -1 1 379.428 1.241 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CN(C(=O)c3ncccc3C)C[C@@H]2C)n1 ZINC001571156650 952703405 /nfs/dbraw/zinc/70/34/05/952703405.db2.gz GDDYASRWUJTWMD-FZMZJTMJSA-N -1 1 379.428 1.241 20 0 GDADMM COc1ccccc1C(=O)NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571157860 952707791 /nfs/dbraw/zinc/70/77/91/952707791.db2.gz APGAPZLXZILVBN-LBPRGKRZSA-N -1 1 380.412 1.064 20 0 GDADMM COc1ccccc1C(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571157860 952707794 /nfs/dbraw/zinc/70/77/94/952707794.db2.gz APGAPZLXZILVBN-LBPRGKRZSA-N -1 1 380.412 1.064 20 0 GDADMM Cc1cccnc1C(=O)NC[C@H]1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571158935 952716469 /nfs/dbraw/zinc/71/64/69/952716469.db2.gz UVYCXMFOTWEAPA-QWHCGFSZSA-N -1 1 379.428 1.371 20 0 GDADMM Cc1cccnc1C(=O)NC[C@H]1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571158935 952716471 /nfs/dbraw/zinc/71/64/71/952716471.db2.gz UVYCXMFOTWEAPA-QWHCGFSZSA-N -1 1 379.428 1.371 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H]3[C@H](CCN3c3ccnc(-c4nn[n-]n4)n3)C2)co1 ZINC001571159490 952719335 /nfs/dbraw/zinc/71/93/35/952719335.db2.gz WGXRGNFLGLVPCY-TZMCWYRMSA-N -1 1 380.412 1.299 20 0 GDADMM Cc1cnc(C(=O)N2CC[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)c(C)c1 ZINC001571159667 952720402 /nfs/dbraw/zinc/72/04/02/952720402.db2.gz VOTVTAKTAIBPJX-ZDUSSCGKSA-N -1 1 379.428 1.243 20 0 GDADMM Cc1cnc(C(=O)N2CC[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)c(C)c1 ZINC001571159667 952720407 /nfs/dbraw/zinc/72/04/07/952720407.db2.gz VOTVTAKTAIBPJX-ZDUSSCGKSA-N -1 1 379.428 1.243 20 0 GDADMM Cc1occc1C(=O)N1C[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571160085 952723780 /nfs/dbraw/zinc/72/37/80/952723780.db2.gz DFOVOMDFIABCAG-OLZOCXBDSA-N -1 1 380.412 1.157 20 0 GDADMM O=C(c1ccco1)N1CC[C@@]2(C1)CCCN(c1nccnc1-c1nnn[n-]1)C2 ZINC001571160208 952723792 /nfs/dbraw/zinc/72/37/92/952723792.db2.gz DUJAAZPWASTUAH-SFHVURJKSA-N -1 1 380.412 1.382 20 0 GDADMM O=C(c1ccco1)N1CC[C@@]2(C1)CCCN(c1nccnc1-c1nn[n-]n1)C2 ZINC001571160208 952723796 /nfs/dbraw/zinc/72/37/96/952723796.db2.gz DUJAAZPWASTUAH-SFHVURJKSA-N -1 1 380.412 1.382 20 0 GDADMM O=C(N[C@@H]1CCCC[C@H]1Nc1ncccc1-c1nn[nH]n1)c1ncccc1[O-] ZINC001571160821 952728899 /nfs/dbraw/zinc/72/88/99/952728899.db2.gz MLUAXEDXCQXQLE-CHWSQXEVSA-N -1 1 380.412 1.515 20 0 GDADMM O=C([C@@H]1C[C@H]1c1ccco1)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571161042 952729911 /nfs/dbraw/zinc/72/99/11/952729911.db2.gz PGWUYKIVMGJWJP-JHJVBQTASA-N -1 1 380.412 1.456 20 0 GDADMM O=C([C@@H]1C[C@H]1c1ccco1)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571161042 952729917 /nfs/dbraw/zinc/72/99/17/952729917.db2.gz PGWUYKIVMGJWJP-JHJVBQTASA-N -1 1 380.412 1.456 20 0 GDADMM Cc1ccoc1C(=O)N[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2 ZINC001571161083 952730566 /nfs/dbraw/zinc/73/05/66/952730566.db2.gz QIHXNHMXEBKGCA-CHWSQXEVSA-N -1 1 380.412 1.711 20 0 GDADMM Cc1ccoc1C(=O)N[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2 ZINC001571161083 952730567 /nfs/dbraw/zinc/73/05/67/952730567.db2.gz QIHXNHMXEBKGCA-CHWSQXEVSA-N -1 1 380.412 1.711 20 0 GDADMM O=C(Cc1ccco1)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001571161618 952733739 /nfs/dbraw/zinc/73/37/39/952733739.db2.gz YWGUBVYFSGKWOT-BETUJISGSA-N -1 1 380.412 1.062 20 0 GDADMM O=C(Cc1ccco1)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001571161618 952733743 /nfs/dbraw/zinc/73/37/43/952733743.db2.gz YWGUBVYFSGKWOT-BETUJISGSA-N -1 1 380.412 1.062 20 0 GDADMM C[C@H]1CN(C(=O)c2conc2C2CC2)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571169994 952781862 /nfs/dbraw/zinc/78/18/62/952781862.db2.gz BXCIREXRHPQIAN-JOYOIKCWSA-N -1 1 381.400 1.095 20 0 GDADMM C[C@H]1CN(C(=O)c2conc2C2CC2)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571169994 952781867 /nfs/dbraw/zinc/78/18/67/952781867.db2.gz BXCIREXRHPQIAN-JOYOIKCWSA-N -1 1 381.400 1.095 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C23CCC(CC2)C3)n1 ZINC001571170072 952782570 /nfs/dbraw/zinc/78/25/70/952782570.db2.gz SCKSRKKEUGKGRH-KTLQMWQESA-N -1 1 380.456 1.096 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C23CCC(CC2)C3)n1 ZINC001571170072 952782573 /nfs/dbraw/zinc/78/25/73/952782573.db2.gz SCKSRKKEUGKGRH-KTLQMWQESA-N -1 1 380.456 1.096 20 0 GDADMM C[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CN1C(=O)c1cc(C2CC2)no1 ZINC001571170773 952788383 /nfs/dbraw/zinc/78/83/83/952788383.db2.gz LKXMFAXNGSOPGZ-GXSJLCMTSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CN1C(=O)c1cc(C2CC2)no1 ZINC001571170773 952788385 /nfs/dbraw/zinc/78/83/85/952788385.db2.gz LKXMFAXNGSOPGZ-GXSJLCMTSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@]12CN(C(=O)[C@H]3CC34CC4)C[C@]1(C)CN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001571170850 952789098 /nfs/dbraw/zinc/78/90/98/952789098.db2.gz XTCPPOVSFKICRS-PJSAGSTRSA-N -1 1 380.456 1.132 20 0 GDADMM Cc1nc(C(=O)N2CC[C@H](Nc3nc(Cl)c(-c4nnn[n-]4)s3)C2)co1 ZINC001571171501 952793920 /nfs/dbraw/zinc/79/39/20/952793920.db2.gz AURYJZFVSNHSHM-ZETCQYMHSA-N -1 1 380.821 1.600 20 0 GDADMM Cc1nc(C(=O)N2CC[C@H](Nc3nc(Cl)c(-c4nn[n-]n4)s3)C2)co1 ZINC001571171501 952793923 /nfs/dbraw/zinc/79/39/23/952793923.db2.gz AURYJZFVSNHSHM-ZETCQYMHSA-N -1 1 380.821 1.600 20 0 GDADMM O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001571171563 952794169 /nfs/dbraw/zinc/79/41/69/952794169.db2.gz CFJRRJPCOQASOB-WZKSRPPSSA-N -1 1 380.456 1.273 20 0 GDADMM O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001571171563 952794172 /nfs/dbraw/zinc/79/41/72/952794172.db2.gz CFJRRJPCOQASOB-WZKSRPPSSA-N -1 1 380.456 1.273 20 0 GDADMM O=C(CC1CC1)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(c2nccnc2-c2nnn[n-]2)C1 ZINC001571171684 952796126 /nfs/dbraw/zinc/79/61/26/952796126.db2.gz CXTONQDEXPNJTO-AJNGGQMLSA-N -1 1 380.456 1.130 20 0 GDADMM O=C(CC1CC1)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(c2nccnc2-c2nn[n-]n2)C1 ZINC001571171684 952796130 /nfs/dbraw/zinc/79/61/30/952796130.db2.gz CXTONQDEXPNJTO-AJNGGQMLSA-N -1 1 380.456 1.130 20 0 GDADMM O=C([C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)N1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571171769 952796841 /nfs/dbraw/zinc/79/68/41/952796841.db2.gz GGZQRVZXGKDOPI-DEPYFDJDSA-N -1 1 380.456 1.352 20 0 GDADMM O=C([C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)N1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571171769 952796844 /nfs/dbraw/zinc/79/68/44/952796844.db2.gz GGZQRVZXGKDOPI-DEPYFDJDSA-N -1 1 380.456 1.352 20 0 GDADMM C[C@]1(NC(=O)c2ccon2)CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571171739 952797096 /nfs/dbraw/zinc/79/70/96/952797096.db2.gz FNGSXVACUWACHU-ZDUSSCGKSA-N -1 1 380.821 1.363 20 0 GDADMM C[C@]1(NC(=O)c2ccon2)CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571171739 952797099 /nfs/dbraw/zinc/79/70/99/952797099.db2.gz FNGSXVACUWACHU-ZDUSSCGKSA-N -1 1 380.821 1.363 20 0 GDADMM O=C(NC1(C2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CC1)C1=CCCC1 ZINC001571171957 952799204 /nfs/dbraw/zinc/79/92/04/952799204.db2.gz JXRSEJYYVKCQRB-UHFFFAOYSA-N -1 1 380.456 1.632 20 0 GDADMM O=C(NC1(C2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CC1)C1=CCCC1 ZINC001571171957 952799206 /nfs/dbraw/zinc/79/92/06/952799206.db2.gz JXRSEJYYVKCQRB-UHFFFAOYSA-N -1 1 380.456 1.632 20 0 GDADMM O=C(C1=CCCCCC1)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001571171935 952799460 /nfs/dbraw/zinc/79/94/60/952799460.db2.gz IVBKXVYANRVXML-GASCZTMLSA-N -1 1 380.456 1.442 20 0 GDADMM O=C(C1=CCCCCC1)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001571171935 952799464 /nfs/dbraw/zinc/79/94/64/952799464.db2.gz IVBKXVYANRVXML-GASCZTMLSA-N -1 1 380.456 1.442 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@@H](NC(=O)c3coc(C4CC4)n3)C2)n1 ZINC001571174821 952816055 /nfs/dbraw/zinc/81/60/55/952816055.db2.gz JEPCBYVNONKVFU-PHIMTYICSA-N -1 1 381.400 1.203 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@@H](NC(=O)c3coc(C4CC4)n3)C2)n1 ZINC001571174821 952816062 /nfs/dbraw/zinc/81/60/62/952816062.db2.gz JEPCBYVNONKVFU-PHIMTYICSA-N -1 1 381.400 1.203 20 0 GDADMM O=C(c1cnc(C2CC2)o1)N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571178823 952847824 /nfs/dbraw/zinc/84/78/24/952847824.db2.gz VSAHTKQZJMBNOL-UHFFFAOYSA-N -1 1 381.400 1.239 20 0 GDADMM O=C(c1cnc(C2CC2)o1)N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571178823 952847827 /nfs/dbraw/zinc/84/78/27/952847827.db2.gz VSAHTKQZJMBNOL-UHFFFAOYSA-N -1 1 381.400 1.239 20 0 GDADMM CCc1[nH]ccc1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)[C@H]1C ZINC001571184087 952888634 /nfs/dbraw/zinc/88/86/34/952888634.db2.gz PYJVGGCKASVKBV-SMDDNHRTSA-N -1 1 381.444 1.335 20 0 GDADMM CCc1[nH]ccc1C(=O)N1C[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)[C@H](C)C1 ZINC001571184390 952892733 /nfs/dbraw/zinc/89/27/33/952892733.db2.gz YDMUCYAVINUCCH-VXGBXAGGSA-N -1 1 381.444 1.367 20 0 GDADMM CCc1[nH]ccc1C(=O)N1C[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)[C@H](C)C1 ZINC001571184390 952892741 /nfs/dbraw/zinc/89/27/41/952892741.db2.gz YDMUCYAVINUCCH-VXGBXAGGSA-N -1 1 381.444 1.367 20 0 GDADMM Cc1c(C(=O)N[C@H]2CC[C@H](C)N(c3ccnc(-c4nn[n-]n4)n3)C2)ccn1C ZINC001571184634 952894613 /nfs/dbraw/zinc/89/46/13/952894613.db2.gz BZODGWOCPUSYLM-AAEUAGOBSA-N -1 1 381.444 1.091 20 0 GDADMM CCn1cccc1C(=O)N1CCC(CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571184666 952897380 /nfs/dbraw/zinc/89/73/80/952897380.db2.gz CPNOYOXLHQONMN-UHFFFAOYSA-N -1 1 381.444 1.442 20 0 GDADMM CCn1cccc1C(=O)N1CCC(CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571184666 952897388 /nfs/dbraw/zinc/89/73/88/952897388.db2.gz CPNOYOXLHQONMN-UHFFFAOYSA-N -1 1 381.444 1.442 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CC2(C)C)c(C)[nH]1 ZINC001571187684 952909024 /nfs/dbraw/zinc/90/90/24/952909024.db2.gz AOHWBJLDGRZKFK-ZDUSSCGKSA-N -1 1 381.444 1.246 20 0 GDADMM Cc1cc(C)c(C(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C(C)(C)C2)[nH]1 ZINC001571189352 952929205 /nfs/dbraw/zinc/92/92/05/952929205.db2.gz VIFFQIMRAXSGGA-ZDUSSCGKSA-N -1 1 381.444 1.564 20 0 GDADMM Cc1cc(C)c(C(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C(C)(C)C2)[nH]1 ZINC001571189352 952929211 /nfs/dbraw/zinc/92/92/11/952929211.db2.gz VIFFQIMRAXSGGA-ZDUSSCGKSA-N -1 1 381.444 1.564 20 0 GDADMM O=C(C1CC1)N1CC[C@@H](C(F)(F)F)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571194395 952961999 /nfs/dbraw/zinc/96/19/99/952961999.db2.gz LKJMCVZPTJYKSX-MWLCHTKSSA-N -1 1 382.350 1.258 20 0 GDADMM O=C(C1CC1)N1CC[C@@H](C(F)(F)F)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571194395 952962003 /nfs/dbraw/zinc/96/20/03/952962003.db2.gz LKJMCVZPTJYKSX-MWLCHTKSSA-N -1 1 382.350 1.258 20 0 GDADMM O=c1cc(CN2CCC[C@H](CC(F)(F)F)C2)nc2c(-c3nn[nH]n3)c[n-]n21 ZINC001571194425 952962964 /nfs/dbraw/zinc/96/29/64/952962964.db2.gz MGLSECPYPUCIII-SECBINFHSA-N -1 1 382.350 1.779 20 0 GDADMM O=C(CNC(=O)c1cccc(F)c1-c1nnn[n-]1)N1CCOc2ccccc21 ZINC001571194910 952970818 /nfs/dbraw/zinc/97/08/18/952970818.db2.gz WEPZTXMZICLNRX-UHFFFAOYSA-N -1 1 382.355 1.161 20 0 GDADMM O=C(CNC(=O)c1cccc(F)c1-c1nn[n-]n1)N1CCOc2ccccc21 ZINC001571194910 952970824 /nfs/dbraw/zinc/97/08/24/952970824.db2.gz WEPZTXMZICLNRX-UHFFFAOYSA-N -1 1 382.355 1.161 20 0 GDADMM Cc1cc(F)ccc1C(=O)N1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001571195988 952978671 /nfs/dbraw/zinc/97/86/71/952978671.db2.gz GKVWPVNLQPRHRY-DGCLKSJQSA-N -1 1 382.403 1.819 20 0 GDADMM Cc1cc(F)ccc1C(=O)N1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001571195988 952978674 /nfs/dbraw/zinc/97/86/74/952978674.db2.gz GKVWPVNLQPRHRY-DGCLKSJQSA-N -1 1 382.403 1.819 20 0 GDADMM Cc1cc(F)cc(C(=O)N2CCC[C@H]2CNc2nccnc2-c2nnn[n-]2)c1 ZINC001571196137 952980442 /nfs/dbraw/zinc/98/04/42/952980442.db2.gz HQGWKKFEXCSQHN-AWEZNQCLSA-N -1 1 382.403 1.821 20 0 GDADMM Cc1cc(F)cc(C(=O)N2CCC[C@H]2CNc2nccnc2-c2nn[n-]n2)c1 ZINC001571196137 952980447 /nfs/dbraw/zinc/98/04/47/952980447.db2.gz HQGWKKFEXCSQHN-AWEZNQCLSA-N -1 1 382.403 1.821 20 0 GDADMM CC(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CC[C@@H]1c1ccc(F)cc1 ZINC001571196367 952981134 /nfs/dbraw/zinc/98/11/34/952981134.db2.gz JMKAQWCIZWIVOR-GDBMZVCRSA-N -1 1 382.403 1.294 20 0 GDADMM CC(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CC[C@@H]1c1ccc(F)cc1 ZINC001571196367 952981138 /nfs/dbraw/zinc/98/11/38/952981138.db2.gz JMKAQWCIZWIVOR-GDBMZVCRSA-N -1 1 382.403 1.294 20 0 GDADMM CN(C(=O)Cc1ccccc1F)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571197221 952987060 /nfs/dbraw/zinc/98/70/60/952987060.db2.gz ULORHQGSUSKKFG-CYBMUJFWSA-N -1 1 382.403 1.076 20 0 GDADMM CN(C(=O)Cc1ccccc1F)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571197221 952987064 /nfs/dbraw/zinc/98/70/64/952987064.db2.gz ULORHQGSUSKKFG-CYBMUJFWSA-N -1 1 382.403 1.076 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)c3ccc(F)cc3)[C@H]2C)n1 ZINC001571197294 952988628 /nfs/dbraw/zinc/98/86/28/952988628.db2.gz VQGWRLHJJADHRJ-SMDDNHRTSA-N -1 1 382.403 1.819 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)c3ccc(F)cc3)[C@H]2C)n1 ZINC001571197294 952988632 /nfs/dbraw/zinc/98/86/32/952988632.db2.gz VQGWRLHJJADHRJ-SMDDNHRTSA-N -1 1 382.403 1.819 20 0 GDADMM C[C@H]1C[C@@H](NC(=O)c2ccc(F)cc2)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571197374 952990014 /nfs/dbraw/zinc/99/00/14/952990014.db2.gz YGTRUJSHNILSRQ-FZMZJTMJSA-N -1 1 382.403 1.583 20 0 GDADMM CCc1occc1C(=O)N1C[C@H](C)[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571199236 952998423 /nfs/dbraw/zinc/99/84/23/952998423.db2.gz OBWCBZDLEHYUKZ-NWDGAFQWSA-N -1 1 382.428 1.632 20 0 GDADMM CCc1occc1C(=O)N1C[C@H](C)[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571199236 952998429 /nfs/dbraw/zinc/99/84/29/952998429.db2.gz OBWCBZDLEHYUKZ-NWDGAFQWSA-N -1 1 382.428 1.632 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)c1cccc(F)c1 ZINC001571200411 953008617 /nfs/dbraw/zinc/00/86/17/953008617.db2.gz ILCJKNBSTYFYIF-FZMZJTMJSA-N -1 1 382.403 1.806 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)c1cccc(F)c1 ZINC001571200411 953008620 /nfs/dbraw/zinc/00/86/20/953008620.db2.gz ILCJKNBSTYFYIF-FZMZJTMJSA-N -1 1 382.403 1.806 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CCC[C@H]2CNc2cnc(-c3nnn[n-]3)cn2)c(C)o1 ZINC001571200486 953009753 /nfs/dbraw/zinc/00/97/53/953009753.db2.gz CLBRSKUFLRYDNG-JSGCOSHPSA-N -1 1 382.428 1.877 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CCC[C@H]2CNc2cnc(-c3nn[n-]n3)cn2)c(C)o1 ZINC001571200486 953009754 /nfs/dbraw/zinc/00/97/54/953009754.db2.gz CLBRSKUFLRYDNG-JSGCOSHPSA-N -1 1 382.428 1.877 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1F ZINC001571200508 953009974 /nfs/dbraw/zinc/00/99/74/953009974.db2.gz JFQKDIWWAJQPHE-RYUDHWBXSA-N -1 1 382.403 1.228 20 0 GDADMM Cc1ccc([C@H](C)C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)[C@@H]2C)o1 ZINC001571201357 953017313 /nfs/dbraw/zinc/01/73/13/953017313.db2.gz KSMUTTMUHMJFPP-XQQFMLRXSA-N -1 1 382.428 1.445 20 0 GDADMM Cc1ccc([C@H](C)C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)[C@@H]2C)o1 ZINC001571201357 953017316 /nfs/dbraw/zinc/01/73/16/953017316.db2.gz KSMUTTMUHMJFPP-XQQFMLRXSA-N -1 1 382.428 1.445 20 0 GDADMM Cc1coc(C)c1C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)[C@H]1C ZINC001571202391 953024121 /nfs/dbraw/zinc/02/41/21/953024121.db2.gz UHELEKZVBCVOHB-WCQYABFASA-N -1 1 382.428 1.654 20 0 GDADMM Cc1coc(C)c1C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)[C@H]1C ZINC001571202391 953024126 /nfs/dbraw/zinc/02/41/26/953024126.db2.gz UHELEKZVBCVOHB-WCQYABFASA-N -1 1 382.428 1.654 20 0 GDADMM Cc1ccc([C@H](C)C(=O)N2CCCN(c3ccnc(-c4nn[n-]n4)n3)CC2)o1 ZINC001571202619 953027360 /nfs/dbraw/zinc/02/73/60/953027360.db2.gz VXHPGNHRSQAXHF-ZDUSSCGKSA-N -1 1 382.428 1.401 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@@H](CCNc3nccnc3-c3nnn[n-]3)C2)o1 ZINC001571202649 953028068 /nfs/dbraw/zinc/02/80/68/953028068.db2.gz WXSOBGAUZDGBBO-CYBMUJFWSA-N -1 1 382.428 1.451 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@@H](CCNc3nccnc3-c3nn[n-]n3)C2)o1 ZINC001571202649 953028075 /nfs/dbraw/zinc/02/80/75/953028075.db2.gz WXSOBGAUZDGBBO-CYBMUJFWSA-N -1 1 382.428 1.451 20 0 GDADMM Cc1n[nH]cc1C(=O)N1CCC[C@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571206047 953045717 /nfs/dbraw/zinc/04/57/17/953045717.db2.gz CUGZIYBURFTUFO-PWSUYJOCSA-N -1 1 382.432 1.041 20 0 GDADMM Cc1n[nH]cc1C(=O)N1CCC[C@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571206047 953045721 /nfs/dbraw/zinc/04/57/21/953045721.db2.gz CUGZIYBURFTUFO-PWSUYJOCSA-N -1 1 382.432 1.041 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2[C@@H](C)CCCN2C(=O)c2cn[nH]c2)n1 ZINC001571207244 953061277 /nfs/dbraw/zinc/06/12/77/953061277.db2.gz OYRNMVVLPKZGGI-IINYFYTJSA-N -1 1 382.432 1.041 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2[C@@H](C)CCCN2C(=O)c2cn[nH]c2)n1 ZINC001571207244 953061284 /nfs/dbraw/zinc/06/12/84/953061284.db2.gz OYRNMVVLPKZGGI-IINYFYTJSA-N -1 1 382.432 1.041 20 0 GDADMM O=C(c1ccsc1)N1CC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001571210811 953075513 /nfs/dbraw/zinc/07/55/13/953075513.db2.gz XLOPJRTYABYJHH-QGZVFWFLSA-N -1 1 382.453 1.461 20 0 GDADMM O=C(c1ccsc1)N1CC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001571210811 953075515 /nfs/dbraw/zinc/07/55/15/953075515.db2.gz XLOPJRTYABYJHH-QGZVFWFLSA-N -1 1 382.453 1.461 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC2(C)CCN(C(=O)[C@]34C[C@H]3CCC4)CC2)n1 ZINC001571211754 953080717 /nfs/dbraw/zinc/08/07/17/953080717.db2.gz FDXWZFMWFWMUBN-BFUOFWGJSA-N -1 1 382.472 1.948 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC2(C)CCN(C(=O)[C@]34C[C@H]3CCC4)CC2)n1 ZINC001571211754 953080720 /nfs/dbraw/zinc/08/07/20/953080720.db2.gz FDXWZFMWFWMUBN-BFUOFWGJSA-N -1 1 382.472 1.948 20 0 GDADMM CCc1nc(N[C@H]2CN(C(=O)[C@@H]3CC34CC4)CC2(C)C)cc(-c2nnn[n-]2)n1 ZINC001571212098 953084339 /nfs/dbraw/zinc/08/43/39/953084339.db2.gz IWKXYZMUBOBJCF-AAEUAGOBSA-N -1 1 382.472 1.668 20 0 GDADMM CCc1nc(N[C@H]2CN(C(=O)[C@@H]3CC34CC4)CC2(C)C)cc(-c2nn[n-]n2)n1 ZINC001571212098 953084345 /nfs/dbraw/zinc/08/43/45/953084345.db2.gz IWKXYZMUBOBJCF-AAEUAGOBSA-N -1 1 382.472 1.668 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3C[C@H]2CN3C(=O)C2C(C)(C)C2(C)C)n1 ZINC001571212494 953089074 /nfs/dbraw/zinc/08/90/74/953089074.db2.gz MNZVAUCCRIDKNX-RYUDHWBXSA-N -1 1 382.472 1.437 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3C[C@H]2CN3C(=O)C2C(C)(C)C2(C)C)n1 ZINC001571212494 953089077 /nfs/dbraw/zinc/08/90/77/953089077.db2.gz MNZVAUCCRIDKNX-RYUDHWBXSA-N -1 1 382.472 1.437 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@H]2CCCN(C(=O)[C@]34C[C@H]3CCC4)C2)n1 ZINC001571212850 953091353 /nfs/dbraw/zinc/09/13/53/953091353.db2.gz NPCHAFYQMZQMIW-BIENJYKASA-N -1 1 382.472 1.583 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@H]2CCCN(C(=O)[C@]34C[C@H]3CCC4)C2)n1 ZINC001571212850 953091356 /nfs/dbraw/zinc/09/13/56/953091356.db2.gz NPCHAFYQMZQMIW-BIENJYKASA-N -1 1 382.472 1.583 20 0 GDADMM CC1(C)CN(c2ccc(-c3nnn[n-]3)nn2)CC[C@H]1NC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001571212859 953091786 /nfs/dbraw/zinc/09/17/86/953091786.db2.gz NPKMHWLEMFJEGI-FIRUKDTASA-N -1 1 382.472 1.424 20 0 GDADMM CC1(C)CN(c2ccc(-c3nn[n-]n3)nn2)CC[C@H]1NC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001571212859 953091788 /nfs/dbraw/zinc/09/17/88/953091788.db2.gz NPKMHWLEMFJEGI-FIRUKDTASA-N -1 1 382.472 1.424 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@@H]1CCCN(C(=O)C2CC3(CC3)C2)C1 ZINC001571212996 953092180 /nfs/dbraw/zinc/09/21/80/953092180.db2.gz PIFDPBKTQHYDPX-CHWSQXEVSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@@H]1CCCN(C(=O)C2CC3(CC3)C2)C1 ZINC001571212996 953092182 /nfs/dbraw/zinc/09/21/82/953092182.db2.gz PIFDPBKTQHYDPX-CHWSQXEVSA-N -1 1 382.472 1.886 20 0 GDADMM Cc1nc(C(=O)N2CCC[C@@H](CCNc3nccnc3-c3nn[n-]n3)C2)c[nH]1 ZINC001571213466 953095630 /nfs/dbraw/zinc/09/56/30/953095630.db2.gz UNRXSDRUKVISKJ-LBPRGKRZSA-N -1 1 382.432 1.043 20 0 GDADMM C[C@]1(CNc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)[C@@H]2CC23CCCC3)C1 ZINC001571214037 953098366 /nfs/dbraw/zinc/09/83/66/953098366.db2.gz VNPLZVPDGBFNEF-SCLBCKFNSA-N -1 1 382.472 1.309 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](NC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)C2)n1 ZINC001571214404 953101508 /nfs/dbraw/zinc/10/15/08/953101508.db2.gz YHKLPSMQJBMWCD-NYTXWWLZSA-N -1 1 382.472 1.486 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](NC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)C2)n1 ZINC001571214404 953101512 /nfs/dbraw/zinc/10/15/12/953101512.db2.gz YHKLPSMQJBMWCD-NYTXWWLZSA-N -1 1 382.472 1.486 20 0 GDADMM CC1(C)C(C(=O)NC[C@@H]2[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)C1(C)C ZINC001571214434 953101932 /nfs/dbraw/zinc/10/19/32/953101932.db2.gz YOOBQRSQPFBHRY-CNDDSTCGSA-N -1 1 382.472 1.137 20 0 GDADMM CC1(C)C(C(=O)NC[C@@H]2[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)C1(C)C ZINC001571214434 953101935 /nfs/dbraw/zinc/10/19/35/953101935.db2.gz YOOBQRSQPFBHRY-CNDDSTCGSA-N -1 1 382.472 1.137 20 0 GDADMM C[C@@H]1C[C@H]1C(=O)N1CCC(N(CC2CC2)c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571214468 953102719 /nfs/dbraw/zinc/10/27/19/953102719.db2.gz ZCXZDFDIDNHGTK-IUODEOHRSA-N -1 1 382.472 1.520 20 0 GDADMM C[C@@H]1C[C@H]1C(=O)N1CCC(N(CC2CC2)c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571214468 953102722 /nfs/dbraw/zinc/10/27/22/953102722.db2.gz ZCXZDFDIDNHGTK-IUODEOHRSA-N -1 1 382.472 1.520 20 0 GDADMM O=C(NC[C@H]1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)[C@@H]1C[C@H]1C1CCC1 ZINC001571217235 953106095 /nfs/dbraw/zinc/10/60/95/953106095.db2.gz CVLQPJGHUFGTQZ-PMOUVXMZSA-N -1 1 382.472 1.790 20 0 GDADMM O=C(NC[C@H]1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)[C@@H]1C[C@H]1C1CCC1 ZINC001571217235 953106098 /nfs/dbraw/zinc/10/60/98/953106098.db2.gz CVLQPJGHUFGTQZ-PMOUVXMZSA-N -1 1 382.472 1.790 20 0 GDADMM O=C(N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)C(C1CCC1)C1CCC1 ZINC001571217648 953110141 /nfs/dbraw/zinc/11/01/41/953110141.db2.gz GTYUKBVOTVNYCP-CQSZACIVSA-N -1 1 382.472 1.568 20 0 GDADMM O=C(N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)C(C1CCC1)C1CCC1 ZINC001571217648 953110142 /nfs/dbraw/zinc/11/01/42/953110142.db2.gz GTYUKBVOTVNYCP-CQSZACIVSA-N -1 1 382.472 1.568 20 0 GDADMM O=C(NC[C@H]1CCN1Cc1ccc(-c2nn[nH]n2)c(F)c1)c1ncccc1[O-] ZINC001571217871 953111124 /nfs/dbraw/zinc/11/11/24/953111124.db2.gz RCCPSZHCAOFMBR-GFCCVEGCSA-N -1 1 383.387 1.111 20 0 GDADMM O=C(N[C@H]1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)C1CC2(CCC2)C1 ZINC001571218461 953114923 /nfs/dbraw/zinc/11/49/23/953114923.db2.gz OQQYPKWHQPSXHK-OCCSQVGLSA-N -1 1 382.472 1.356 20 0 GDADMM O=C(N[C@@]12CCC[C@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2)C1CCCCC1 ZINC001571218821 953119974 /nfs/dbraw/zinc/11/99/74/953119974.db2.gz RSKUDOFXKAFJJB-AUUYWEPGSA-N -1 1 382.472 1.855 20 0 GDADMM O=C(CC1CCC1)N1CCC[C@@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571218885 953120878 /nfs/dbraw/zinc/12/08/78/953120878.db2.gz SGLVHIRDMCAWTE-IBGZPJMESA-N -1 1 382.472 1.666 20 0 GDADMM O=C(CC1CCC1)N1CCC[C@@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571218885 953120881 /nfs/dbraw/zinc/12/08/81/953120881.db2.gz SGLVHIRDMCAWTE-IBGZPJMESA-N -1 1 382.472 1.666 20 0 GDADMM O=C(N[C@H]1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)c1cncc(F)c1 ZINC001571219763 953127620 /nfs/dbraw/zinc/12/76/20/953127620.db2.gz SDEOIKBFEKTRER-MFKMUULPSA-N -1 1 383.391 1.201 20 0 GDADMM O=C(N[C@H]1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)c1cncc(F)c1 ZINC001571219763 953127623 /nfs/dbraw/zinc/12/76/23/953127623.db2.gz SDEOIKBFEKTRER-MFKMUULPSA-N -1 1 383.391 1.201 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571222058 953130364 /nfs/dbraw/zinc/13/03/64/953130364.db2.gz BBIBAENOLZLPFZ-NSHDSACASA-N -1 1 383.416 1.024 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571222058 953130369 /nfs/dbraw/zinc/13/03/69/953130369.db2.gz BBIBAENOLZLPFZ-NSHDSACASA-N -1 1 383.416 1.024 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571222576 953135928 /nfs/dbraw/zinc/13/59/28/953135928.db2.gz JPUSMZRTDAAQGO-NSHDSACASA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571222576 953135929 /nfs/dbraw/zinc/13/59/29/953135929.db2.gz JPUSMZRTDAAQGO-NSHDSACASA-N -1 1 383.416 1.485 20 0 GDADMM CCCc1nc(C(=O)NC2CC(CNc3cncc(-c4nnn[n-]4)n3)C2)co1 ZINC001571222543 953136028 /nfs/dbraw/zinc/13/60/28/953136028.db2.gz IQNFZWKKPZJXHU-UHFFFAOYSA-N -1 1 383.416 1.218 20 0 GDADMM CCCc1nc(C(=O)NC2CC(CNc3cncc(-c4nn[n-]n4)n3)C2)co1 ZINC001571222543 953136032 /nfs/dbraw/zinc/13/60/32/953136032.db2.gz IQNFZWKKPZJXHU-UHFFFAOYSA-N -1 1 383.416 1.218 20 0 GDADMM CCCc1nc(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)co1 ZINC001571222568 953136040 /nfs/dbraw/zinc/13/60/40/953136040.db2.gz JLYKUSSEDBRHLN-PHIMTYICSA-N -1 1 383.416 1.218 20 0 GDADMM CCCc1nc(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)co1 ZINC001571222568 953136043 /nfs/dbraw/zinc/13/60/43/953136043.db2.gz JLYKUSSEDBRHLN-PHIMTYICSA-N -1 1 383.416 1.218 20 0 GDADMM CCc1ocnc1C(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)[C@H]1C ZINC001571223275 953143621 /nfs/dbraw/zinc/14/36/21/953143621.db2.gz SEJOQDLDCBBDTQ-GHMZBOCLSA-N -1 1 383.416 1.231 20 0 GDADMM CCc1ocnc1C(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)[C@H]1C ZINC001571223275 953143625 /nfs/dbraw/zinc/14/36/25/953143625.db2.gz SEJOQDLDCBBDTQ-GHMZBOCLSA-N -1 1 383.416 1.231 20 0 GDADMM Cc1cc(CC(=O)N[C@H]2CCC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)no1 ZINC001571224691 953150779 /nfs/dbraw/zinc/15/07/79/953150779.db2.gz CYZWAHGJMGPFGC-RYUDHWBXSA-N -1 1 383.416 1.035 20 0 GDADMM Cc1cc(CC(=O)N[C@H]2CCC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)no1 ZINC001571224691 953150781 /nfs/dbraw/zinc/15/07/81/953150781.db2.gz CYZWAHGJMGPFGC-RYUDHWBXSA-N -1 1 383.416 1.035 20 0 GDADMM Cc1nc(C(=O)N2CC[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)[C@@H](C)C2)co1 ZINC001571224972 953151821 /nfs/dbraw/zinc/15/18/21/953151821.db2.gz HTUXOQPKEGCFJY-CABZTGNLSA-N -1 1 383.416 1.224 20 0 GDADMM Cc1nc(C(=O)N2CC[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)[C@@H](C)C2)co1 ZINC001571224972 953151824 /nfs/dbraw/zinc/15/18/24/953151824.db2.gz HTUXOQPKEGCFJY-CABZTGNLSA-N -1 1 383.416 1.224 20 0 GDADMM Cc1nc(C(=O)N2C[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C(C)(C)C2)co1 ZINC001571225602 953153503 /nfs/dbraw/zinc/15/35/03/953153503.db2.gz LBBYRWUBOWFRKJ-ZDUSSCGKSA-N -1 1 383.416 1.224 20 0 GDADMM Cc1nc(C(=O)N2C[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C(C)(C)C2)co1 ZINC001571225602 953153507 /nfs/dbraw/zinc/15/35/07/953153507.db2.gz LBBYRWUBOWFRKJ-ZDUSSCGKSA-N -1 1 383.416 1.224 20 0 GDADMM Cc1nc(C(=O)N2C[C@@H](C)[C@@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)c(C)o1 ZINC001571226459 953155996 /nfs/dbraw/zinc/15/59/96/953155996.db2.gz RDNNJVGVVKFJNF-OQPBUACISA-N -1 1 383.416 1.143 20 0 GDADMM Cc1nc(C(=O)N2C[C@@H](C)[C@@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)c(C)o1 ZINC001571226459 953155998 /nfs/dbraw/zinc/15/59/98/953155998.db2.gz RDNNJVGVVKFJNF-OQPBUACISA-N -1 1 383.416 1.143 20 0 GDADMM Cc1conc1C(=O)N1CCC([C@H](C)Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001571226916 953157377 /nfs/dbraw/zinc/15/73/77/953157377.db2.gz WUELWEMQDNLFGK-NSHDSACASA-N -1 1 383.416 1.306 20 0 GDADMM Cc1conc1C(=O)N1CCC([C@H](C)Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001571226916 953157381 /nfs/dbraw/zinc/15/73/81/953157381.db2.gz WUELWEMQDNLFGK-NSHDSACASA-N -1 1 383.416 1.306 20 0 GDADMM Cc1noc(C)c1C(=O)N1CCC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001571226947 953157759 /nfs/dbraw/zinc/15/77/59/953157759.db2.gz XKYXILVEKLZLDI-LBPRGKRZSA-N -1 1 383.416 1.003 20 0 GDADMM Cc1noc(C)c1C(=O)N1CCC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001571226947 953157761 /nfs/dbraw/zinc/15/77/61/953157761.db2.gz XKYXILVEKLZLDI-LBPRGKRZSA-N -1 1 383.416 1.003 20 0 GDADMM Cc1nocc1C(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1 ZINC001571228393 953163777 /nfs/dbraw/zinc/16/37/77/953163777.db2.gz OCRYPHMAETYMJV-ZYHUDNBSSA-N -1 1 383.416 1.163 20 0 GDADMM Cc1nocc1C(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1 ZINC001571228393 953163779 /nfs/dbraw/zinc/16/37/79/953163779.db2.gz OCRYPHMAETYMJV-ZYHUDNBSSA-N -1 1 383.416 1.163 20 0 GDADMM Cc1nsc(N2CCC[C@H]2CNC(=O)[C@H]2CCC2(F)F)c1-c1nn[n-]n1 ZINC001571230049 953174041 /nfs/dbraw/zinc/17/40/41/953174041.db2.gz RMBDDKPWACUMMY-VHSXEESVSA-N -1 1 383.428 1.762 20 0 GDADMM NC(=O)c1ccccc1N1CC[C@H](NC(=O)c2ccsc2-c2nnn[n-]2)C1 ZINC001571230722 953179819 /nfs/dbraw/zinc/17/98/19/953179819.db2.gz IRMBMFVSFDLBDF-JTQLQIEISA-N -1 1 383.437 1.036 20 0 GDADMM NC(=O)c1ccccc1N1CC[C@H](NC(=O)c2ccsc2-c2nn[n-]n2)C1 ZINC001571230722 953179821 /nfs/dbraw/zinc/17/98/21/953179821.db2.gz IRMBMFVSFDLBDF-JTQLQIEISA-N -1 1 383.437 1.036 20 0 GDADMM C[C@@H](Sc1ccccc1C(=O)NCc1ccnc(-c2nnn[n-]2)c1)C(N)=O ZINC001571230773 953180162 /nfs/dbraw/zinc/18/01/62/953180162.db2.gz JZUVAFAJTPIFQN-SNVBAGLBSA-N -1 1 383.437 1.158 20 0 GDADMM C[C@@H](Sc1ccccc1C(=O)NCc1ccnc(-c2nn[n-]n2)c1)C(N)=O ZINC001571230773 953180164 /nfs/dbraw/zinc/18/01/64/953180164.db2.gz JZUVAFAJTPIFQN-SNVBAGLBSA-N -1 1 383.437 1.158 20 0 GDADMM CC(=O)N1CC[C@H](C(F)(F)F)[C@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571234604 953203832 /nfs/dbraw/zinc/20/38/32/953203832.db2.gz CYMRBSCUAATLOL-MNOVXSKESA-N -1 1 384.366 1.424 20 0 GDADMM CC(=O)N1CC[C@H](C(F)(F)F)[C@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571234604 953203834 /nfs/dbraw/zinc/20/38/34/953203834.db2.gz CYMRBSCUAATLOL-MNOVXSKESA-N -1 1 384.366 1.424 20 0 GDADMM COc1ccc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)cc1F ZINC001571234727 953205601 /nfs/dbraw/zinc/20/56/01/953205601.db2.gz GZXRWMRGQODLBS-PHIMTYICSA-N -1 1 384.375 1.177 20 0 GDADMM COc1ccc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)cc1F ZINC001571234727 953205603 /nfs/dbraw/zinc/20/56/03/953205603.db2.gz GZXRWMRGQODLBS-PHIMTYICSA-N -1 1 384.375 1.177 20 0 GDADMM C[C@@H]1CCN(C(=O)C2=COCCC2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571242719 953259648 /nfs/dbraw/zinc/25/96/48/953259648.db2.gz MKPLPQVCFNTMHT-OCCSQVGLSA-N -1 1 384.444 1.248 20 0 GDADMM C[C@@H]1CCN(C(=O)C2=COCCC2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571242719 953259655 /nfs/dbraw/zinc/25/96/55/953259655.db2.gz MKPLPQVCFNTMHT-OCCSQVGLSA-N -1 1 384.444 1.248 20 0 GDADMM Cc1ccc(CC(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)[C@@H]2C)s1 ZINC001571244695 953265831 /nfs/dbraw/zinc/26/58/31/953265831.db2.gz FFYFKHZIODRPLY-YPMHNXCESA-N -1 1 384.469 1.353 20 0 GDADMM Cc1ccc(CC(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)[C@@H]2C)s1 ZINC001571244695 953265834 /nfs/dbraw/zinc/26/58/34/953265834.db2.gz FFYFKHZIODRPLY-YPMHNXCESA-N -1 1 384.469 1.353 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](NC(=O)Cc3ccsc3)C2)n1 ZINC001571244780 953266389 /nfs/dbraw/zinc/26/63/89/953266389.db2.gz IFDAUBXPHDAUIK-ZDUSSCGKSA-N -1 1 384.469 1.354 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](NC(=O)Cc3ccsc3)C2)n1 ZINC001571244780 953266394 /nfs/dbraw/zinc/26/63/94/953266394.db2.gz IFDAUBXPHDAUIK-ZDUSSCGKSA-N -1 1 384.469 1.354 20 0 GDADMM Cc1csc(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)CC2)c1 ZINC001571245170 953270428 /nfs/dbraw/zinc/27/04/28/953270428.db2.gz OWEMDXYKUZAVPF-GFCCVEGCSA-N -1 1 384.469 1.816 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)sc1C ZINC001571245107 953270592 /nfs/dbraw/zinc/27/05/92/953270592.db2.gz NTTRQDWYOUJWMG-GFCCVEGCSA-N -1 1 384.469 1.474 20 0 GDADMM C[C@@H]1CN(C(=O)CCc2ccsc2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571245510 953274345 /nfs/dbraw/zinc/27/43/45/953274345.db2.gz SZOLZNNHUDMDPU-BXUZGUMPSA-N -1 1 384.469 1.610 20 0 GDADMM C[C@@H]1CN(C(=O)CCc2ccsc2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571245510 953274347 /nfs/dbraw/zinc/27/43/47/953274347.db2.gz SZOLZNNHUDMDPU-BXUZGUMPSA-N -1 1 384.469 1.610 20 0 GDADMM O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1ccns1 ZINC001571248208 953290697 /nfs/dbraw/zinc/29/06/97/953290697.db2.gz NKFMVPBOHOAZLC-LSDHHAIUSA-N -1 1 384.469 1.530 20 0 GDADMM O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1ccns1 ZINC001571248208 953290699 /nfs/dbraw/zinc/29/06/99/953290699.db2.gz NKFMVPBOHOAZLC-LSDHHAIUSA-N -1 1 384.469 1.530 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1)C1CCC1 ZINC001571249143 953301826 /nfs/dbraw/zinc/30/18/26/953301826.db2.gz DWDCSFHJIWFYMH-DZGCQCFKSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1)C1CCC1 ZINC001571249143 953301829 /nfs/dbraw/zinc/30/18/29/953301829.db2.gz DWDCSFHJIWFYMH-DZGCQCFKSA-N -1 1 384.488 1.910 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571249423 953304326 /nfs/dbraw/zinc/30/43/26/953304326.db2.gz IZJOCWDKVREOLF-GFCCVEGCSA-N -1 1 384.488 1.989 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571249423 953304330 /nfs/dbraw/zinc/30/43/30/953304330.db2.gz IZJOCWDKVREOLF-GFCCVEGCSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)(C)CC(=O)N1CCC[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571251408 953316433 /nfs/dbraw/zinc/31/64/33/953316433.db2.gz XIFOQMPZRFIKBH-IBGZPJMESA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)(C)CC(=O)N1CCC[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571251408 953316435 /nfs/dbraw/zinc/31/64/35/953316435.db2.gz XIFOQMPZRFIKBH-IBGZPJMESA-N -1 1 384.488 1.912 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCCC[C@@H]2CNC(=O)C2CC(C)C2)n1 ZINC001571251827 953320344 /nfs/dbraw/zinc/32/03/44/953320344.db2.gz AQGIIZYYODLVRY-JXQTWKCFSA-N -1 1 384.488 1.740 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCCC[C@@H]2CNC(=O)C2CC(C)C2)n1 ZINC001571251827 953320349 /nfs/dbraw/zinc/32/03/49/953320349.db2.gz AQGIIZYYODLVRY-JXQTWKCFSA-N -1 1 384.488 1.740 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@@H]2CCCN(C(=O)C3CC(C)(C)C3)C2)n1 ZINC001571251970 953321364 /nfs/dbraw/zinc/32/13/64/953321364.db2.gz DBLGCDKSPLFCMH-CQSZACIVSA-N -1 1 384.488 1.829 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@@H]2CCCN(C(=O)C3CC(C)(C)C3)C2)n1 ZINC001571251970 953321369 /nfs/dbraw/zinc/32/13/69/953321369.db2.gz DBLGCDKSPLFCMH-CQSZACIVSA-N -1 1 384.488 1.829 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H]([C@H](C)NC(=O)C3CCCC3)C2)n1 ZINC001571252314 953325950 /nfs/dbraw/zinc/32/59/50/953325950.db2.gz KVCZWWFVDHIADZ-DZGCQCFKSA-N -1 1 384.488 1.876 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H]([C@H](C)NC(=O)C3CCCC3)C2)n1 ZINC001571252314 953325954 /nfs/dbraw/zinc/32/59/54/953325954.db2.gz KVCZWWFVDHIADZ-DZGCQCFKSA-N -1 1 384.488 1.876 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC2(C)C)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571252879 953333971 /nfs/dbraw/zinc/33/39/71/953333971.db2.gz XTSKQYLGBAWPCA-VNHYZAJKSA-N -1 1 384.488 1.957 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC2(C)C)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571252879 953333976 /nfs/dbraw/zinc/33/39/76/953333976.db2.gz XTSKQYLGBAWPCA-VNHYZAJKSA-N -1 1 384.488 1.957 20 0 GDADMM O=C([O-])c1cc(NC(=O)NCCCCN2CCN(c3ncccn3)CC2)ccn1 ZINC001594757252 953474562 /nfs/dbraw/zinc/47/45/62/953474562.db2.gz PXWCKWVQVZLFNP-UHFFFAOYSA-N -1 1 399.455 1.294 20 0 GDADMM O=C(CN1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)NC[C@@H]1Cc2ccccc2O1 ZINC000575311480 953683753 /nfs/dbraw/zinc/68/37/53/953683753.db2.gz IGNWDNKFKIZRAL-GBESFXJTSA-N -1 1 380.444 1.907 20 0 GDADMM C[C@@H]1CCN(C(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)C[C@H]1C(=O)[O-] ZINC000579706613 953711186 /nfs/dbraw/zinc/71/11/86/953711186.db2.gz QDOLVMFCPNBPBB-GDBMZVCRSA-N -1 1 396.532 1.365 20 0 GDADMM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)c3cc(-c4cccs4)[nH]n3)CC2)C1 ZINC000653311971 954129448 /nfs/dbraw/zinc/12/94/48/954129448.db2.gz CKNCBLFRPPNBPY-LLVKDONJSA-N -1 1 388.449 1.676 20 0 GDADMM C[C@@](CNC(=O)CCN1CCN(c2ccccn2)CC1)(C(=O)[O-])c1ccccc1 ZINC000653323023 954148421 /nfs/dbraw/zinc/14/84/21/954148421.db2.gz JTEPIIGAGVJNKL-QFIPXVFZSA-N -1 1 396.491 1.752 20 0 GDADMM CC(C)[C@@H](CNC(=O)NC1(CN2CCN(c3ccccc3)CC2)CC1)C(=O)[O-] ZINC000659412000 954335217 /nfs/dbraw/zinc/33/52/17/954335217.db2.gz KRBDYJGITNAYQB-GOSISDBHSA-N -1 1 388.512 1.997 20 0 GDADMM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cccc2c1OCC2 ZINC001594891580 954534458 /nfs/dbraw/zinc/53/44/58/954534458.db2.gz WMWBFTWBRIDORK-RYUDHWBXSA-N -1 1 386.326 1.358 20 0 GDADMM O=C([O-])[C@@H]1CCCN(c2ccc(CN(CCO)CCOCC(F)(F)F)o2)C1 ZINC001594918601 954784040 /nfs/dbraw/zinc/78/40/40/954784040.db2.gz VQOUFEJIMZETMK-CYBMUJFWSA-N -1 1 394.390 1.954 20 0 GDADMM COC(=O)C1CC2(C1)CN(C(=O)Nc1cnn(-c3ccncc3)c1)C[C@H]2C(=O)[O-] ZINC001593822963 955057774 /nfs/dbraw/zinc/05/77/74/955057774.db2.gz FAMRXBPALVTOIF-IHBYNMNLSA-N -1 1 399.407 1.385 20 0 GDADMM Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(C(=O)c3cc(Br)[nH]n3)C2)cn1 ZINC001594540963 955645058 /nfs/dbraw/zinc/64/50/58/955645058.db2.gz WFIYZNFCQCERCZ-DTWKUNHWSA-N -1 1 382.218 1.236 20 0 GDADMM Cn1cc(C[N@@H+]2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])c(C(F)F)n1 ZINC001594542685 955665055 /nfs/dbraw/zinc/66/50/55/955665055.db2.gz IHXOIZKEOGPPAF-SCZZXKLOSA-N -1 1 384.305 1.454 20 0 GDADMM Cn1cc(C[N@H+]2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])c(C(F)F)n1 ZINC001594542685 955665066 /nfs/dbraw/zinc/66/50/66/955665066.db2.gz IHXOIZKEOGPPAF-SCZZXKLOSA-N -1 1 384.305 1.454 20 0 GDADMM O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cnc2ccccc2n1 ZINC000851699613 955811285 /nfs/dbraw/zinc/81/12/85/955811285.db2.gz DXDZGWIGZBVJPE-WCQYABFASA-N -1 1 396.325 1.366 20 0 GDADMM O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccc2c(c1)CCO2 ZINC000851700776 955815274 /nfs/dbraw/zinc/81/52/74/955815274.db2.gz CODXOLKBYKGGJP-DGCLKSJQSA-N -1 1 386.326 1.358 20 0 GDADMM O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cccc2c1OCO2 ZINC000851703148 955823891 /nfs/dbraw/zinc/82/38/91/955823891.db2.gz OAZKWMPLNGFQAA-GXSJLCMTSA-N -1 1 388.298 1.152 20 0 GDADMM O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1CCC(=O)Nc1ccccc1 ZINC000852735111 955845034 /nfs/dbraw/zinc/84/50/34/955845034.db2.gz GAUCPAXYHJNERZ-GXTWGEPZSA-N -1 1 387.358 1.611 20 0 GDADMM COC(=O)c1sccc1CN1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001593898394 955846776 /nfs/dbraw/zinc/84/67/76/955846776.db2.gz QYQKAZBEBFQAAW-UWVGGRQHSA-N -1 1 394.371 1.631 20 0 GDADMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)/C=C\c1ccccc1F ZINC000852957730 955888805 /nfs/dbraw/zinc/88/88/05/955888805.db2.gz TVLMLFOETAXTIQ-QJPJPVNKSA-N -1 1 388.317 1.962 20 0 GDADMM Cc1ccc2oc(C(=O)N3CCC[C@@H](NC(=O)C(F)(F)F)[C@H]3C(=O)[O-])cc2n1 ZINC000852959115 955898401 /nfs/dbraw/zinc/89/84/01/955898401.db2.gz XEDFWAUNXVRHGK-RNCFNFMXSA-N -1 1 399.325 1.873 20 0 GDADMM CO[C@@H](C(=O)[O-])C(=O)Nc1nc2ccc(I)cc2[nH]1 ZINC001593913991 956004248 /nfs/dbraw/zinc/00/42/48/956004248.db2.gz CJCVEOQLYOWEMC-MRVPVSSYSA-N -1 1 375.122 1.206 20 0 GDADMM CN1CCN(c2cc(CNC(=O)NCc3ccccc3C(=O)[O-])ccn2)CC1 ZINC000874384667 956127393 /nfs/dbraw/zinc/12/73/93/956127393.db2.gz XKHQQFSBGOFUBC-UHFFFAOYSA-N -1 1 383.452 1.531 20 0 GDADMM C[C@H](N[C@@H](Cc1ccccc1)C(=O)[O-])C(=O)NC[C@@H]1COc2ccccc2O1 ZINC001589132605 956215793 /nfs/dbraw/zinc/21/57/93/956215793.db2.gz YQTFZBOWVSJNMD-UAGQMJEPSA-N -1 1 384.432 1.617 20 0 GDADMM Cc1cnc(Cl)c(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])c1 ZINC000902064827 956636068 /nfs/dbraw/zinc/63/60/68/956636068.db2.gz HOANENOPRFGKEB-ZJUUUORDSA-N -1 1 393.749 1.780 20 0 GDADMM O=C([O-])C1(C(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)CCCCCC1 ZINC000902701405 956774492 /nfs/dbraw/zinc/77/44/92/956774492.db2.gz LMINSXJZHJGORU-KRWDZBQOSA-N -1 1 381.517 1.324 20 0 GDADMM COc1cccc([C@@H](CNC(=O)C2(C(=O)[O-])CCOCC2)N2CCCC2)c1 ZINC000911105706 957054074 /nfs/dbraw/zinc/05/40/74/957054074.db2.gz CWWXCSUMQGTTSI-QGZVFWFLSA-N -1 1 376.453 1.830 20 0 GDADMM C[C@H](C[N@H+]1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-])NC(=O)OC(C)(C)C ZINC001603159244 972261333 /nfs/dbraw/zinc/26/13/33/972261333.db2.gz UXJAOUBUDOSDLV-OUAUKWLOSA-N -1 1 397.394 1.496 20 0 GDADMM C[C@H](CN1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-])NC(=O)OC(C)(C)C ZINC001603159244 972261335 /nfs/dbraw/zinc/26/13/35/972261335.db2.gz UXJAOUBUDOSDLV-OUAUKWLOSA-N -1 1 397.394 1.496 20 0 GDADMM CC[C@@H](CNC(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1)C(=O)[O-] ZINC001341310968 957965218 /nfs/dbraw/zinc/96/52/18/957965218.db2.gz XGVSHDCBUHHMOB-WMZOPIPTSA-N -1 1 376.501 1.775 20 0 GDADMM C[C@@H]1CN(CCCNC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)C[C@H](C)O1 ZINC001341344207 957977553 /nfs/dbraw/zinc/97/75/53/957977553.db2.gz ODDPEBGQZHSEHA-RVKKMQEKSA-N -1 1 375.469 1.879 20 0 GDADMM C/C(=C/C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-])c1cnccn1 ZINC001588480284 958587159 /nfs/dbraw/zinc/58/71/59/958587159.db2.gz OIAPSXIJPIVVAA-AVUYXXIPSA-N -1 1 386.330 1.003 20 0 GDADMM Cc1[nH]nc(C(=O)N2CCCC[C@H]2CC(=O)[O-])c1I ZINC001594440977 959265886 /nfs/dbraw/zinc/26/58/86/959265886.db2.gz CTRWLHWKMHMSIE-QMMMGPOBSA-N -1 1 377.182 1.792 20 0 GDADMM Cc1[nH]nc(C(=O)N2CCC[C@H](C)[C@@H]2C(=O)[O-])c1I ZINC001594441121 959269986 /nfs/dbraw/zinc/26/99/86/959269986.db2.gz NLWRQOVVZIWYHK-QUBYGPBYSA-N -1 1 377.182 1.648 20 0 GDADMM C[C@@H](N[C@@H](Cc1ccccc1)C(=O)[O-])C(=O)NCCc1ccc2c(c1)OCCO2 ZINC001573629547 959544643 /nfs/dbraw/zinc/54/46/43/959544643.db2.gz APTWEEVDZGZXLP-QAPCUYQASA-N -1 1 398.459 1.791 20 0 GDADMM CC(C)(C)OC(=O)CCC(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001588668689 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ZINC000737255365 598967735 /nfs/dbraw/zinc/96/77/35/598967735.db2.gz IAELZAGIKJKFKI-CQSZACIVSA-N -1 1 391.439 1.529 20 0 GDADMM S=C1N=NC(CCNc2c3ccccc3nnc2-c2nnn[n-]2)N1C1CC1 ZINC000738404384 598968482 /nfs/dbraw/zinc/96/84/82/598968482.db2.gz DMXXKBXJUHJHBR-UHFFFAOYSA-N -1 1 380.441 1.680 20 0 GDADMM S=C1N=NC(CCNc2c3ccccc3nnc2-c2nn[n-]n2)N1C1CC1 ZINC000738404384 598968484 /nfs/dbraw/zinc/96/84/84/598968484.db2.gz DMXXKBXJUHJHBR-UHFFFAOYSA-N -1 1 380.441 1.680 20 0 GDADMM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)nc1)Nc1cc(Cl)ccc1Cl ZINC000737890818 598982808 /nfs/dbraw/zinc/98/28/08/598982808.db2.gz DRZLEJMHGFVMOI-UHFFFAOYSA-N -1 1 392.206 1.937 20 0 GDADMM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)nc1)Nc1cc(Cl)ccc1Cl ZINC000737890818 598982810 /nfs/dbraw/zinc/98/28/10/598982810.db2.gz DRZLEJMHGFVMOI-UHFFFAOYSA-N -1 1 392.206 1.937 20 0 GDADMM O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000737996954 598985287 /nfs/dbraw/zinc/98/52/87/598985287.db2.gz SQDCREHXVLSCFB-KRWDZBQOSA-N -1 1 379.424 1.065 20 0 GDADMM O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000737996954 598985288 /nfs/dbraw/zinc/98/52/88/598985288.db2.gz SQDCREHXVLSCFB-KRWDZBQOSA-N -1 1 379.424 1.065 20 0 GDADMM COC(=O)C=Cc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)nc2)c(OC)c1 ZINC000736911709 598986330 /nfs/dbraw/zinc/98/63/30/598986330.db2.gz ITLSANHDBJPZFN-YWEYNIOJSA-N -1 1 381.348 1.676 20 0 GDADMM COC(=O)C=Cc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)nc2)c(OC)c1 ZINC000736911709 598986332 /nfs/dbraw/zinc/98/63/32/598986332.db2.gz ITLSANHDBJPZFN-YWEYNIOJSA-N -1 1 381.348 1.676 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC(C)(C)OCC1(C)C ZINC000737201438 599007371 /nfs/dbraw/zinc/00/73/71/599007371.db2.gz SCESDTBMVAMHLO-UHFFFAOYSA-N -1 1 388.472 1.933 20 0 GDADMM CCO[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1(C)C ZINC000736613966 599008537 /nfs/dbraw/zinc/00/85/37/599008537.db2.gz UJZDDNJHOHBYIF-ZIAGYGMSSA-N -1 1 383.449 1.830 20 0 GDADMM Nc1n[nH]c(CCCNC(=O)Nc2ccc(-c3cc[nH]n3)cc2)c1-c1nnn[n-]1 ZINC000737776993 599022683 /nfs/dbraw/zinc/02/26/83/599022683.db2.gz VBQDNDCFPBMVNI-UHFFFAOYSA-N -1 1 393.415 1.316 20 0 GDADMM Nc1n[nH]c(CCCNC(=O)Nc2ccc(-c3cc[nH]n3)cc2)c1-c1nn[n-]n1 ZINC000737776993 599022686 /nfs/dbraw/zinc/02/26/86/599022686.db2.gz VBQDNDCFPBMVNI-UHFFFAOYSA-N -1 1 393.415 1.316 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)N2CC(n3cccn3)C2)c1-c1nn[n-]n1 ZINC000737190001 599028207 /nfs/dbraw/zinc/02/82/07/599028207.db2.gz SMBHOAZVBFITQV-UHFFFAOYSA-N -1 1 382.453 1.755 20 0 GDADMM NC(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1N1CCCCC1 ZINC000737759268 599033819 /nfs/dbraw/zinc/03/38/19/599033819.db2.gz JNPRNSPASZWGGN-UHFFFAOYSA-N -1 1 392.423 1.603 20 0 GDADMM NC(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1N1CCCCC1 ZINC000737759268 599033822 /nfs/dbraw/zinc/03/38/22/599033822.db2.gz JNPRNSPASZWGGN-UHFFFAOYSA-N -1 1 392.423 1.603 20 0 GDADMM Cc1ccc([C@@H](O)CNC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)o1 ZINC000737320349 599055946 /nfs/dbraw/zinc/05/59/46/599055946.db2.gz OOTPIDDJCFQBRX-LBPRGKRZSA-N -1 1 382.380 1.924 20 0 GDADMM Cc1ccc([C@@H](O)CNC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)o1 ZINC000737320349 599055948 /nfs/dbraw/zinc/05/59/48/599055948.db2.gz OOTPIDDJCFQBRX-LBPRGKRZSA-N -1 1 382.380 1.924 20 0 GDADMM CC(=O)c1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735503972 599134281 /nfs/dbraw/zinc/13/42/81/599134281.db2.gz LFOZJVFMARKFQL-NSHDSACASA-N -1 1 380.364 1.648 20 0 GDADMM CC(=O)c1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735503972 599134282 /nfs/dbraw/zinc/13/42/82/599134282.db2.gz LFOZJVFMARKFQL-NSHDSACASA-N -1 1 380.364 1.648 20 0 GDADMM Cc1ccc([C@H](C)NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1C ZINC000737322248 599139357 /nfs/dbraw/zinc/13/93/57/599139357.db2.gz WYNFMEBEPODRRS-ZDUSSCGKSA-N -1 1 380.408 1.913 20 0 GDADMM Cc1ccc([C@H](C)NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1C ZINC000737322248 599139359 /nfs/dbraw/zinc/13/93/59/599139359.db2.gz WYNFMEBEPODRRS-ZDUSSCGKSA-N -1 1 380.408 1.913 20 0 GDADMM CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)c1C ZINC000736603818 599140539 /nfs/dbraw/zinc/14/05/39/599140539.db2.gz RGYVWSAQCFWHOX-UHFFFAOYSA-N -1 1 398.379 1.423 20 0 GDADMM CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)c1C ZINC000736603818 599140540 /nfs/dbraw/zinc/14/05/40/599140540.db2.gz RGYVWSAQCFWHOX-UHFFFAOYSA-N -1 1 398.379 1.423 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N1c2ccccc2C[C@H]1C ZINC000736158433 599140704 /nfs/dbraw/zinc/14/07/04/599140704.db2.gz PTZASBFTPQPOKU-NEPJUHHUSA-N -1 1 378.392 1.785 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N1c2ccccc2C[C@H]1C ZINC000736158433 599140706 /nfs/dbraw/zinc/14/07/06/599140706.db2.gz PTZASBFTPQPOKU-NEPJUHHUSA-N -1 1 378.392 1.785 20 0 GDADMM C[C@@H](C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1)C(F)(F)F ZINC000819856688 599141384 /nfs/dbraw/zinc/14/13/84/599141384.db2.gz KNXGTACYBDIOTJ-QMMMGPOBSA-N -1 1 385.350 1.579 20 0 GDADMM COc1ccc(-c2noc(COC(=O)c3ccc(-c4nnn[n-]4)nc3)n2)cc1 ZINC000737063343 599141582 /nfs/dbraw/zinc/14/15/82/599141582.db2.gz WYTPMKNMLUHHEC-UHFFFAOYSA-N -1 1 379.336 1.677 20 0 GDADMM COc1ccc(-c2noc(COC(=O)c3ccc(-c4nn[n-]n4)nc3)n2)cc1 ZINC000737063343 599141583 /nfs/dbraw/zinc/14/15/83/599141583.db2.gz WYTPMKNMLUHHEC-UHFFFAOYSA-N -1 1 379.336 1.677 20 0 GDADMM CS[C@H]1CC[C@@H](NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C1 ZINC000821949169 599184052 /nfs/dbraw/zinc/18/40/52/599184052.db2.gz FSMOFZZCFUQLNB-NEPJUHHUSA-N -1 1 376.486 1.917 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCC[C@@H](O)c1ccccc1 ZINC000822005143 599197514 /nfs/dbraw/zinc/19/75/14/599197514.db2.gz OXYAITALTSMQGS-MRXNPFEDSA-N -1 1 396.451 1.757 20 0 GDADMM CCc1nncn1CCNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000821552995 599204329 /nfs/dbraw/zinc/20/43/29/599204329.db2.gz DFZARLUOMVXUHS-UHFFFAOYSA-N -1 1 399.484 1.445 20 0 GDADMM COc1ccc(C(=O)NCC(=O)[O-])cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000485534201 597021590 /nfs/dbraw/zinc/02/15/90/597021590.db2.gz RWKSJTHKZUMGIS-UHFFFAOYSA-N -1 1 378.406 1.619 20 0 GDADMM CN(CC(=O)Nc1ccccc1Cl)C(=O)CN1CCC[C@H](CC(=O)[O-])C1 ZINC000818394589 597082710 /nfs/dbraw/zinc/08/27/10/597082710.db2.gz FMIBPWIOJGBHPI-CYBMUJFWSA-N -1 1 381.860 1.924 20 0 GDADMM COc1ccc(C)cc1NC(=O)CNC(=O)CN1CCC[C@H](CC(=O)[O-])C1 ZINC000532882057 597083500 /nfs/dbraw/zinc/08/35/00/597083500.db2.gz XDDISYMGYARBRR-CQSZACIVSA-N -1 1 377.441 1.245 20 0 GDADMM CN1CCN(c2ncccc2CNC(=O)NCc2ccc(C(=O)[O-])cc2)CC1 ZINC000818482076 597217371 /nfs/dbraw/zinc/21/73/71/597217371.db2.gz FMPJLRIGSIYFBL-UHFFFAOYSA-N -1 1 383.452 1.531 20 0 GDADMM O=C([O-])[C@@H]1CN(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)CCO1 ZINC000738546837 597413680 /nfs/dbraw/zinc/41/36/80/597413680.db2.gz QUHIUNLHZHTQND-HOTGVXAUSA-N -1 1 381.860 1.972 20 0 GDADMM C[C@@H](C(=O)Nc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1)n1cncn1 ZINC000819867588 607312079 /nfs/dbraw/zinc/31/20/79/607312079.db2.gz UIMYZIOUFYKPLR-NSHDSACASA-N -1 1 379.384 1.863 20 0 GDADMM C[C@@H](C(=O)Nc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1)n1cncn1 ZINC000819867588 607312080 /nfs/dbraw/zinc/31/20/80/607312080.db2.gz UIMYZIOUFYKPLR-NSHDSACASA-N -1 1 379.384 1.863 20 0 GDADMM O=S1(=O)CCN(c2cccc(NCc3ccc(-c4nn[n-]n4)s3)c2)CC1 ZINC000823613867 607314790 /nfs/dbraw/zinc/31/47/90/607314790.db2.gz KSMYWQSBGSKKFU-UHFFFAOYSA-N -1 1 390.494 1.775 20 0 GDADMM C[C@@H]1CN(Cc2ccc(CNC(=O)N3CC[C@H](C(=O)[O-])C3)cc2)C[C@H](C)O1 ZINC000818112693 597507115 /nfs/dbraw/zinc/50/71/15/597507115.db2.gz HTFZPKVFRRNLPT-DAYGRLMNSA-N -1 1 375.469 1.912 20 0 GDADMM Cn1ccnc1[C@H](O)[C@@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000822694113 607306169 /nfs/dbraw/zinc/30/61/69/607306169.db2.gz VVDMCIMYECUJJF-SJKOYZFVSA-N -1 1 391.439 1.493 20 0 GDADMM Cn1ccnc1[C@H](O)[C@@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000822694113 607306170 /nfs/dbraw/zinc/30/61/70/607306170.db2.gz VVDMCIMYECUJJF-SJKOYZFVSA-N -1 1 391.439 1.493 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc2c(c1)ncn2-c1ccccc1 ZINC000823136028 607320567 /nfs/dbraw/zinc/32/05/67/607320567.db2.gz GRKJSSIPYXTWDO-UHFFFAOYSA-N -1 1 386.379 1.436 20 0 GDADMM CC[C@H](C)[C@H](NCC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1)C(=O)[O-] ZINC000820459750 598187668 /nfs/dbraw/zinc/18/76/68/598187668.db2.gz PDDUYQQSPJLIIO-QRTARXTBSA-N -1 1 388.530 1.424 20 0 GDADMM Cc1oc(NC(=O)[C@H](C)N2CCN(c3cccnn3)CC2)c(-c2nn[n-]n2)c1C ZINC000737551858 598258514 /nfs/dbraw/zinc/25/85/14/598258514.db2.gz KHQFTSYNCOAWEI-LBPRGKRZSA-N -1 1 397.443 1.016 20 0 GDADMM O=S(=O)(NCc1cccc(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738345387 598260198 /nfs/dbraw/zinc/26/01/98/598260198.db2.gz LFEDDBMGHMJTMU-UHFFFAOYSA-N -1 1 384.343 1.759 20 0 GDADMM O=S(=O)(NCc1cccc(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738345387 598260199 /nfs/dbraw/zinc/26/01/99/598260199.db2.gz LFEDDBMGHMJTMU-UHFFFAOYSA-N -1 1 384.343 1.759 20 0 GDADMM O=S(=O)(Oc1ccccc1Br)c1ccc(-c2nnn[n-]2)nc1 ZINC000738347023 598261904 /nfs/dbraw/zinc/26/19/04/598261904.db2.gz CTUMFTQWHQPDLX-UHFFFAOYSA-N -1 1 382.199 1.792 20 0 GDADMM O=S(=O)(Oc1ccccc1Br)c1ccc(-c2nn[n-]n2)nc1 ZINC000738347023 598261906 /nfs/dbraw/zinc/26/19/06/598261906.db2.gz CTUMFTQWHQPDLX-UHFFFAOYSA-N -1 1 382.199 1.792 20 0 GDADMM O=C(c1ccccc1)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000738278339 598262558 /nfs/dbraw/zinc/26/25/58/598262558.db2.gz JFCUWASMUDQRMA-UHFFFAOYSA-N -1 1 398.448 1.545 20 0 GDADMM O=C(c1ccccc1)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000738278339 598262560 /nfs/dbraw/zinc/26/25/60/598262560.db2.gz JFCUWASMUDQRMA-UHFFFAOYSA-N -1 1 398.448 1.545 20 0 GDADMM COc1ccc([C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1F ZINC000737075739 598262564 /nfs/dbraw/zinc/26/25/64/598262564.db2.gz OLXATWVFEIBWLZ-VIFPVBQESA-N -1 1 378.389 1.449 20 0 GDADMM COc1ccc([C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1F ZINC000737075739 598262566 /nfs/dbraw/zinc/26/25/66/598262566.db2.gz OLXATWVFEIBWLZ-VIFPVBQESA-N -1 1 378.389 1.449 20 0 GDADMM CN(CCCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000736791673 598267293 /nfs/dbraw/zinc/26/72/93/598267293.db2.gz GDIFCAONMZMRPD-UHFFFAOYSA-N -1 1 387.469 1.457 20 0 GDADMM CN(CCCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000736791673 598267294 /nfs/dbraw/zinc/26/72/94/598267294.db2.gz GDIFCAONMZMRPD-UHFFFAOYSA-N -1 1 387.469 1.457 20 0 GDADMM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@H](c2ccccc2)O1 ZINC000736291274 598268828 /nfs/dbraw/zinc/26/88/28/598268828.db2.gz VANXYTXPHHZLSW-BLLLJJGKSA-N -1 1 386.437 1.412 20 0 GDADMM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@H](c2ccccc2)O1 ZINC000736291274 598268830 /nfs/dbraw/zinc/26/88/30/598268830.db2.gz VANXYTXPHHZLSW-BLLLJJGKSA-N -1 1 386.437 1.412 20 0 GDADMM CCc1nn(CC(=O)N(CC(C)C)CC(C)C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706379 598377832 /nfs/dbraw/zinc/37/78/32/598377832.db2.gz VRPUXOWOQOQRJJ-UHFFFAOYSA-N -1 1 389.504 1.689 20 0 GDADMM Ic1ccc(CCNc2nccnc2-c2nnn[n-]2)s1 ZINC000737669829 598394418 /nfs/dbraw/zinc/39/44/18/598394418.db2.gz POQVUEMBUKRTCZ-UHFFFAOYSA-N -1 1 399.221 1.977 20 0 GDADMM Ic1ccc(CCNc2nccnc2-c2nn[n-]n2)s1 ZINC000737669829 598394419 /nfs/dbraw/zinc/39/44/19/598394419.db2.gz POQVUEMBUKRTCZ-UHFFFAOYSA-N -1 1 399.221 1.977 20 0 GDADMM O=S(=O)([N-]c1c(F)cccc1-n1cccn1)c1ccccc1-c1nn[nH]n1 ZINC000738345481 598401263 /nfs/dbraw/zinc/40/12/63/598401263.db2.gz NZYURMVHIPOLPC-UHFFFAOYSA-N -1 1 385.384 1.992 20 0 GDADMM Cn1ccc2c1cccc2NC(=O)NCCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000737613330 598413294 /nfs/dbraw/zinc/41/32/94/598413294.db2.gz OWRRFMJPJJKJFR-UHFFFAOYSA-N -1 1 380.416 1.418 20 0 GDADMM Cn1ccc2c1cccc2NC(=O)NCCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000737613330 598413295 /nfs/dbraw/zinc/41/32/95/598413295.db2.gz OWRRFMJPJJKJFR-UHFFFAOYSA-N -1 1 380.416 1.418 20 0 GDADMM O=S1(=O)CC[C@H](Cc2nnc(Sc3cccc(F)c3-c3nnn[n-]3)o2)C1 ZINC000738358745 598487421 /nfs/dbraw/zinc/48/74/21/598487421.db2.gz XAJNDAPIUWIBFQ-MRVPVSSYSA-N -1 1 396.429 1.517 20 0 GDADMM O=S1(=O)CC[C@H](Cc2nnc(Sc3cccc(F)c3-c3nn[n-]n3)o2)C1 ZINC000738358745 598487422 /nfs/dbraw/zinc/48/74/22/598487422.db2.gz XAJNDAPIUWIBFQ-MRVPVSSYSA-N -1 1 396.429 1.517 20 0 GDADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)NC(=O)NC1CCCCC1 ZINC000737983770 598503467 /nfs/dbraw/zinc/50/34/67/598503467.db2.gz ZNKZYTCCFJRGSK-UHFFFAOYSA-N -1 1 395.423 1.340 20 0 GDADMM Cc1ccccc1CCNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000737426017 598504199 /nfs/dbraw/zinc/50/41/99/598504199.db2.gz HCWRZOBSBJYWQT-UHFFFAOYSA-N -1 1 388.431 1.849 20 0 GDADMM CC(C)[C@H]([N-]S(=O)(=O)c1cccc(-c2nn[nH]n2)c1)c1nc(C2CC2)no1 ZINC000735734517 598525654 /nfs/dbraw/zinc/52/56/54/598525654.db2.gz MNXWETFJGYFITJ-ZDUSSCGKSA-N -1 1 389.441 1.803 20 0 GDADMM CN1C(=O)c2ccc(Cl)cc2N[C@H]1c1cnc2c(-c3nnn[n-]3)cnn2c1 ZINC000736844444 598543354 /nfs/dbraw/zinc/54/33/54/598543354.db2.gz BAHQYVPKNDFTQA-CQSZACIVSA-N -1 1 381.787 1.759 20 0 GDADMM CN1C(=O)c2ccc(Cl)cc2N[C@H]1c1cnc2c(-c3nn[n-]n3)cnn2c1 ZINC000736844444 598543356 /nfs/dbraw/zinc/54/33/56/598543356.db2.gz BAHQYVPKNDFTQA-CQSZACIVSA-N -1 1 381.787 1.759 20 0 GDADMM COc1ccc2c(c1)C(=O)N(C)[C@H](c1cnc3c(-c4nnn[n-]4)cnn3c1)N2 ZINC000737115724 598543757 /nfs/dbraw/zinc/54/37/57/598543757.db2.gz QILZULLSSZVZES-OAHLLOKOSA-N -1 1 377.368 1.114 20 0 GDADMM COc1ccc2c(c1)C(=O)N(C)[C@H](c1cnc3c(-c4nn[n-]n4)cnn3c1)N2 ZINC000737115724 598543758 /nfs/dbraw/zinc/54/37/58/598543758.db2.gz QILZULLSSZVZES-OAHLLOKOSA-N -1 1 377.368 1.114 20 0 GDADMM CCc1nc(CN2CCC[C@@H](Nc3snc(Cl)c3-c3nnn[n-]3)C2)no1 ZINC000736705030 598546252 /nfs/dbraw/zinc/54/62/52/598546252.db2.gz XDQWJLHWUIUEES-MRVPVSSYSA-N -1 1 395.880 1.999 20 0 GDADMM CCc1nc(CN2CCC[C@@H](Nc3snc(Cl)c3-c3nn[n-]n3)C2)no1 ZINC000736705030 598546254 /nfs/dbraw/zinc/54/62/54/598546254.db2.gz XDQWJLHWUIUEES-MRVPVSSYSA-N -1 1 395.880 1.999 20 0 GDADMM CCc1nn(CC(=O)Nc2c(C)cccc2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706635 598639999 /nfs/dbraw/zinc/63/99/99/598639999.db2.gz YJZHXAWGZBNMMD-UHFFFAOYSA-N -1 1 381.440 1.804 20 0 GDADMM CCc1nn(Cc2nc(Cc3ccccc3)no2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705854 598642075 /nfs/dbraw/zinc/64/20/75/598642075.db2.gz BRPCJOOGYXUHQX-UHFFFAOYSA-N -1 1 392.423 1.570 20 0 GDADMM O=C(NCc1ccco1)c1cccc(Cn2cccc(-c3nn[n-]n3)c2=O)c1 ZINC000738123046 598676639 /nfs/dbraw/zinc/67/66/39/598676639.db2.gz DMTIFIULJUXSBO-UHFFFAOYSA-N -1 1 376.376 1.600 20 0 GDADMM COc1cc(C(C)=O)ccc1OS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737040601 598687264 /nfs/dbraw/zinc/68/72/64/598687264.db2.gz IODRTDTYDLCGSX-UHFFFAOYSA-N -1 1 392.368 1.985 20 0 GDADMM CN(C)C(=O)c1cccc(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000736754094 598690224 /nfs/dbraw/zinc/69/02/24/598690224.db2.gz VFTXAXWJOQKDLD-UHFFFAOYSA-N -1 1 391.384 1.475 20 0 GDADMM COc1ccc(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c(OC)c1 ZINC000737095236 598692132 /nfs/dbraw/zinc/69/21/32/598692132.db2.gz DSVQVEXTBQMWRZ-UHFFFAOYSA-N -1 1 393.400 1.502 20 0 GDADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)NC(=O)Nc1ccccc1 ZINC000737983746 598720305 /nfs/dbraw/zinc/72/03/05/598720305.db2.gz ZBLFDBFNMDHHNF-UHFFFAOYSA-N -1 1 389.375 1.530 20 0 GDADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21)NC[C@@H]1CCCO1 ZINC000737982859 598722179 /nfs/dbraw/zinc/72/21/79/598722179.db2.gz SIEOQPURRBLZMX-NSHDSACASA-N -1 1 388.815 1.130 20 0 GDADMM Cc1oc(NC(=O)COC(=O)CC[C@@H]2CCCCO2)c(-c2nn[n-]n2)c1C ZINC000737553428 598724837 /nfs/dbraw/zinc/72/48/37/598724837.db2.gz VUNITBLKBIUXID-LBPRGKRZSA-N -1 1 377.401 1.908 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)N2CC(n3cncn3)C2)c1-c1nn[n-]n1 ZINC000737189941 598766298 /nfs/dbraw/zinc/76/62/98/598766298.db2.gz SAYYXJINKXFMLQ-UHFFFAOYSA-N -1 1 383.441 1.150 20 0 GDADMM CC1(C)C[C@H]1CNC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000736212375 598779281 /nfs/dbraw/zinc/77/92/81/598779281.db2.gz XAVCNQOBCFQVAS-LBPRGKRZSA-N -1 1 386.460 1.610 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC(C)(C)Cc2ccccc2Cl)n(C)c1=O ZINC000737595593 598810042 /nfs/dbraw/zinc/81/00/42/598810042.db2.gz IPBXKRGHHILMHR-UHFFFAOYSA-N -1 1 389.847 1.351 20 0 GDADMM C[C@@H]1C[C@H]1c1ccc(CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C2CC2)o1 ZINC000736237845 598814105 /nfs/dbraw/zinc/81/41/05/598814105.db2.gz QFEMTIRFLZALPQ-ZWNOBZJWSA-N -1 1 397.439 1.150 20 0 GDADMM CCc1ccc([C@H]2CCCCN2c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)o1 ZINC000736682298 599296416 /nfs/dbraw/zinc/29/64/16/599296416.db2.gz AKPOIHUOEBQJSZ-GFCCVEGCSA-N -1 1 385.428 1.151 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCOc2cc(F)ccc21 ZINC000738355319 599304456 /nfs/dbraw/zinc/30/44/56/599304456.db2.gz OOZFDCUGVORXJL-UHFFFAOYSA-N -1 1 379.348 1.733 20 0 GDADMM CC(C)c1ccc(N2CC[C@H](C(=O)n3ncc(-c4nn[n-]n4)c3N)C2=O)cc1 ZINC000820192244 599318454 /nfs/dbraw/zinc/31/84/54/599318454.db2.gz GYTYUBUFADHPFP-ZDUSSCGKSA-N -1 1 380.412 1.462 20 0 GDADMM CCOC[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000821367331 599344525 /nfs/dbraw/zinc/34/45/25/599344525.db2.gz GQJNSTZLDODTGB-NSHDSACASA-N -1 1 385.877 1.957 20 0 GDADMM CCn1cc(CN(C)S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)cn1 ZINC000821565284 599345679 /nfs/dbraw/zinc/34/56/79/599345679.db2.gz MFPRKSOUSJVWHA-UHFFFAOYSA-N -1 1 381.849 1.557 20 0 GDADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CC(=O)c2ccc(F)c(Cl)c2)c1 ZINC000736939314 599370109 /nfs/dbraw/zinc/37/01/09/599370109.db2.gz GDABJRHSLARACG-UHFFFAOYSA-N -1 1 391.746 1.490 20 0 GDADMM Brc1cnc(N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)nc1 ZINC000735376083 599408650 /nfs/dbraw/zinc/40/86/50/599408650.db2.gz WWPASMANRKCNKL-UHFFFAOYSA-N -1 1 388.233 1.141 20 0 GDADMM Brc1cnc(N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)nc1 ZINC000735376083 599408655 /nfs/dbraw/zinc/40/86/55/599408655.db2.gz WWPASMANRKCNKL-UHFFFAOYSA-N -1 1 388.233 1.141 20 0 GDADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1cccc([C@@H]2CNC(=O)C2)c1 ZINC000822151671 607378251 /nfs/dbraw/zinc/37/82/51/607378251.db2.gz DVPSPBJFNKTAPU-AWEZNQCLSA-N -1 1 398.448 1.579 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000738352875 599481422 /nfs/dbraw/zinc/48/14/22/599481422.db2.gz BOKXRMREANVNAV-CYBMUJFWSA-N -1 1 388.428 1.654 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000738352875 599481425 /nfs/dbraw/zinc/48/14/25/599481425.db2.gz BOKXRMREANVNAV-CYBMUJFWSA-N -1 1 388.428 1.654 20 0 GDADMM CC1=C(C(=O)N(C)C)[C@@H](c2ccc(-c3nnn[n-]3)o2)NC(=S)N1CC(C)C ZINC000820636488 599492326 /nfs/dbraw/zinc/49/23/26/599492326.db2.gz SGJWCEITCUSQRJ-CQSZACIVSA-N -1 1 389.485 1.709 20 0 GDADMM CC1=C(C(=O)N(C)C)[C@@H](c2ccc(-c3nn[n-]n3)o2)NC(=S)N1CC(C)C ZINC000820636488 599492329 /nfs/dbraw/zinc/49/23/29/599492329.db2.gz SGJWCEITCUSQRJ-CQSZACIVSA-N -1 1 389.485 1.709 20 0 GDADMM CCOC(=O)C1C(c2ccccc2)=NC(=S)N[C@H]1c1ccc(-c2nnn[n-]2)o1 ZINC000821319536 599493288 /nfs/dbraw/zinc/49/32/88/599493288.db2.gz DMLUBRPGNVRGAO-HNNXBMFYSA-N -1 1 396.432 1.953 20 0 GDADMM CCOC(=O)C1C(c2ccccc2)=NC(=S)N[C@H]1c1ccc(-c2nn[n-]n2)o1 ZINC000821319536 599493290 /nfs/dbraw/zinc/49/32/90/599493290.db2.gz DMLUBRPGNVRGAO-HNNXBMFYSA-N -1 1 396.432 1.953 20 0 GDADMM Cn1cc(N2CCC[C@@H](Nc3cc(-c4nnn[n-]4)nc4ccccc43)C2=O)cn1 ZINC000822679368 599586208 /nfs/dbraw/zinc/58/62/08/599586208.db2.gz CNPOXFHSVJVWIR-OAHLLOKOSA-N -1 1 389.423 1.178 20 0 GDADMM Cn1cc(N2CCC[C@@H](Nc3cc(-c4nn[n-]n4)nc4ccccc43)C2=O)cn1 ZINC000822679368 599586209 /nfs/dbraw/zinc/58/62/09/599586209.db2.gz CNPOXFHSVJVWIR-OAHLLOKOSA-N -1 1 389.423 1.178 20 0 GDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000737770099 599604597 /nfs/dbraw/zinc/60/45/97/599604597.db2.gz HYRATAFHNRETIN-UHFFFAOYSA-N -1 1 389.301 1.538 20 0 GDADMM CO[C@H](CNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)C(C)(C)C ZINC000821675043 599654236 /nfs/dbraw/zinc/65/42/36/599654236.db2.gz BQFGZIMNUGMCBS-CYBMUJFWSA-N -1 1 376.461 1.694 20 0 GDADMM O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)cc2)[n-]1 ZINC000739874679 599761148 /nfs/dbraw/zinc/76/11/48/599761148.db2.gz VWOARUAHQRSEFY-GOSISDBHSA-N -1 1 398.463 1.493 20 0 GDADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000738231261 599808748 /nfs/dbraw/zinc/80/87/48/599808748.db2.gz XKEFYMWKAWTQJA-UHFFFAOYSA-N -1 1 395.375 1.592 20 0 GDADMM COc1ccc(CNC(=O)CCNC(=O)c2n[nH]c3ccccc32)cc1C(=O)[O-] ZINC000737996703 599815794 /nfs/dbraw/zinc/81/57/94/599815794.db2.gz GXGGRDYTDFPRPD-UHFFFAOYSA-N -1 1 396.403 1.706 20 0 GDADMM O=C([O-])[C@H](Cc1ccccc1)NC(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000739266568 599856210 /nfs/dbraw/zinc/85/62/10/599856210.db2.gz CGFGLPRJWAYZBB-INIZCTEOSA-N -1 1 397.456 1.887 20 0 GDADMM Cc1oc(C(=O)[O-])cc1COC(=O)Cc1c(C)nc(-c2ncccn2)[nH]c1=O ZINC000738230864 599861164 /nfs/dbraw/zinc/86/11/64/599861164.db2.gz SMSZNCOUFKHCFZ-UHFFFAOYSA-N -1 1 384.348 1.833 20 0 GDADMM CN(CC(=O)Nc1cccc(CSCC(=O)[O-])c1)c1ncnc2[nH]cnc21 ZINC000737396161 599952971 /nfs/dbraw/zinc/95/29/71/599952971.db2.gz AFIVDVYGRBTPFG-UHFFFAOYSA-N -1 1 386.437 1.746 20 0 GDADMM COc1cc(CCNC(=O)CN2CCC(C(=O)[O-])CC2)ccc1OC(F)F ZINC000262609112 599966868 /nfs/dbraw/zinc/96/68/68/599966868.db2.gz BMUJOACABTXZHC-UHFFFAOYSA-N -1 1 386.395 1.752 20 0 GDADMM CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2cc(OC)ccc2C(=O)[O-])cc1 ZINC000511682603 600006364 /nfs/dbraw/zinc/00/63/64/600006364.db2.gz PRTNJXWJDUKFHC-UHFFFAOYSA-N -1 1 399.446 1.988 20 0 GDADMM O=C([O-])C1CCC(NC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)CC1 ZINC000739402354 600031836 /nfs/dbraw/zinc/03/18/36/600031836.db2.gz JYMMNDQTOFBDGG-VMWRSERWSA-N -1 1 375.469 1.348 20 0 GDADMM Cc1cc(NC(=O)C(=O)N2CCCN(C[C@H]3CCCO3)CC2)ccc1C(=O)[O-] ZINC000738405608 600046862 /nfs/dbraw/zinc/04/68/62/600046862.db2.gz DLSRXPCHLLGKIL-MRXNPFEDSA-N -1 1 389.452 1.345 20 0 GDADMM CCN1CCC[C@H](NC(=O)C(=O)Nc2cccc(CSCC(=O)[O-])c2)C1 ZINC000737115973 600047961 /nfs/dbraw/zinc/04/79/61/600047961.db2.gz SPOHCFXMBLLTHE-HNNXBMFYSA-N -1 1 379.482 1.543 20 0 GDADMM CCOCCOc1ccc(S(=O)(=O)Nc2nc(CC(=O)[O-])cs2)cc1 ZINC000737178444 600054040 /nfs/dbraw/zinc/05/40/40/600054040.db2.gz XFWSHTHHKINPSS-UHFFFAOYSA-N -1 1 386.451 1.986 20 0 GDADMM CN1CCN(c2ccccc2NS(=O)(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC000013270171 600103019 /nfs/dbraw/zinc/10/30/19/600103019.db2.gz ZCHOXZGGOQIDAC-UHFFFAOYSA-N -1 1 375.450 1.937 20 0 GDADMM 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CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)c3cccc(NC(=O)[O-])c3)CC2)C1 ZINC000736475409 602419650 /nfs/dbraw/zinc/41/96/50/602419650.db2.gz UWFAUEZPUZXTCZ-SFHVURJKSA-N -1 1 390.484 1.644 20 0 GDADMM CC(C)N1CCO[C@@H](CN2CCN(C(=O)c3cccc(NC(=O)[O-])c3)CC2)C1 ZINC000736475409 602419651 /nfs/dbraw/zinc/41/96/51/602419651.db2.gz UWFAUEZPUZXTCZ-SFHVURJKSA-N -1 1 390.484 1.644 20 0 GDADMM O=C(CN1CCCC[C@@H]1[C@H]1CCCN1C(=O)[O-])NCCCN1CCCC1=O ZINC000740370555 602527450 /nfs/dbraw/zinc/52/74/50/602527450.db2.gz ZWMVBNNCYBWGAA-HZPDHXFCSA-N -1 1 380.489 1.112 20 0 GDADMM CN(C[C@H]1CCN(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)C1)C(=O)[O-] ZINC000739661322 602533420 /nfs/dbraw/zinc/53/34/20/602533420.db2.gz TZVUUMURLRXKJZ-OAHLLOKOSA-N -1 1 394.903 1.920 20 0 GDADMM CCN1CCN(c2ccc(CNC(=O)NC[C@@H]3CCCN3C(=O)[O-])cn2)CC1 ZINC000739457937 602596977 /nfs/dbraw/zinc/59/69/77/602596977.db2.gz VWOJAKYNEJUURU-INIZCTEOSA-N -1 1 390.488 1.165 20 0 GDADMM CN1CCN(c2ccc(CNC(=O)NCC[C@@H]3CCN(C(=O)[O-])C3)cn2)CC1 ZINC000739737191 602695536 /nfs/dbraw/zinc/69/55/36/602695536.db2.gz UPOKRGLYXAHIFT-OAHLLOKOSA-N -1 1 390.488 1.023 20 0 GDADMM O=C([O-])N1CCC[C@@H](CN2CCN(C(=O)COc3ccc(F)cc3)CC2)C1 ZINC000740511923 602703524 /nfs/dbraw/zinc/70/35/24/602703524.db2.gz LVKBLTRZGOLKIN-HNNXBMFYSA-N -1 1 379.432 1.739 20 0 GDADMM Cc1ccc(C(N)=O)c(OS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000826284301 607582188 /nfs/dbraw/zinc/58/21/88/607582188.db2.gz POIASJQZBZJSLQ-UHFFFAOYSA-N -1 1 377.357 1.181 20 0 GDADMM Cc1ccc(C(N)=O)c(OS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000826284301 607582190 /nfs/dbraw/zinc/58/21/90/607582190.db2.gz POIASJQZBZJSLQ-UHFFFAOYSA-N -1 1 377.357 1.181 20 0 GDADMM O=C([O-])N1CC[C@H](CCNC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)C1 ZINC000740428340 602724086 /nfs/dbraw/zinc/72/40/86/602724086.db2.gz QLMJBLBIMGEFNI-MAUKXSAKSA-N -1 1 390.484 1.095 20 0 GDADMM COc1cccc(CN(C)C(=O)CN2CC[C@H](NC(=O)[O-])[C@H](C)C2)c1OC ZINC000739946249 602772690 /nfs/dbraw/zinc/77/26/90/602772690.db2.gz IPQCGWRNXAEMIC-HIFRSBDPSA-N -1 1 379.457 1.640 20 0 GDADMM C[C@H]1CN(CC(=O)NCCc2ccc(OC(F)F)cc2)CC[C@@H]1NC(=O)[O-] ZINC000739168982 602787004 /nfs/dbraw/zinc/78/70/04/602787004.db2.gz DRBQCHWHJOELCB-WFASDCNBSA-N -1 1 385.411 1.925 20 0 GDADMM CCN(C[C@@H]1COc2ccccc2O1)C(=O)CN1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739414940 602787957 /nfs/dbraw/zinc/78/79/57/602787957.db2.gz LFIUNOMXRIBLBO-OAGGEKHMSA-N -1 1 391.468 1.653 20 0 GDADMM CC(C)[C@H](CNC(=O)[C@H](Cc1ccccc1)NC(=O)[O-])N1CCN(C)CC1 ZINC000738775097 602791242 /nfs/dbraw/zinc/79/12/42/602791242.db2.gz OTJXYPUAGCOPDG-ROUUACIJSA-N -1 1 376.501 1.254 20 0 GDADMM C[C@@H](CC(=O)Nc1ccc2nc(CCN3CCOCC3)[nH]c2c1)NC(=O)[O-] ZINC000824696481 602804505 /nfs/dbraw/zinc/80/45/05/602804505.db2.gz TWEHOFPYQDFGPN-LBPRGKRZSA-N -1 1 375.429 1.422 20 0 GDADMM C[C@@H]1CN(C(=O)NCc2cccnc2N2CCN(C)CC2)CC[C@@H]1NC(=O)[O-] ZINC000739150548 602824774 /nfs/dbraw/zinc/82/47/74/602824774.db2.gz XBGIHWAHAZQQBQ-ZBFHGGJFSA-N -1 1 390.488 1.021 20 0 GDADMM COc1cccc([C@@H](CNC(=O)[C@@H]2COCCN2C(=O)[O-])N2CCCC2)c1 ZINC000739945764 602827366 /nfs/dbraw/zinc/82/73/66/602827366.db2.gz OJCXCGTZEDKQCD-SJORKVTESA-N -1 1 377.441 1.327 20 0 GDADMM O=C([O-])N1CCOC[C@H]1C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000740404491 602828489 /nfs/dbraw/zinc/82/84/89/602828489.db2.gz AULQWSPLRVZTKQ-CVEARBPZSA-N -1 1 381.860 1.972 20 0 GDADMM COc1cccc(CCNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826215993 607590477 /nfs/dbraw/zinc/59/04/77/607590477.db2.gz GFVNGAHOTNXLMI-UHFFFAOYSA-N -1 1 377.401 1.535 20 0 GDADMM COc1cccc(CCNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826215993 607590479 /nfs/dbraw/zinc/59/04/79/607590479.db2.gz GFVNGAHOTNXLMI-UHFFFAOYSA-N -1 1 377.401 1.535 20 0 GDADMM Cc1c(CN2CCSCC2)cccc1NC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000740048552 602869815 /nfs/dbraw/zinc/86/98/15/602869815.db2.gz LEGIVUNRFHLMJK-MRXNPFEDSA-N -1 1 379.482 1.861 20 0 GDADMM CN1CCN(c2cc(CNC(=O)N[C@H]3CCCCN(C(=O)[O-])C3)ccn2)CC1 ZINC000739736319 602888854 /nfs/dbraw/zinc/88/88/54/602888854.db2.gz JCBJEDUUJMIHNV-INIZCTEOSA-N -1 1 390.488 1.165 20 0 GDADMM COc1ccc(-c2n[nH]c(CNC(=O)CN(C[C@@H]3CCCO3)C(=O)[O-])n2)cc1 ZINC000739878525 602889301 /nfs/dbraw/zinc/88/93/01/602889301.db2.gz HXUFYNCHHJFQHS-AWEZNQCLSA-N -1 1 389.412 1.256 20 0 GDADMM COc1ccc(-c2nc(CNC(=O)CN(C[C@@H]3CCCO3)C(=O)[O-])n[nH]2)cc1 ZINC000739878525 602889303 /nfs/dbraw/zinc/88/93/03/602889303.db2.gz HXUFYNCHHJFQHS-AWEZNQCLSA-N -1 1 389.412 1.256 20 0 GDADMM CC(C)[C@@H](CNC(=O)[C@@H](CNC(=O)[O-])c1ccccc1)N1CCN(C)CC1 ZINC000824110474 602923465 /nfs/dbraw/zinc/92/34/65/602923465.db2.gz KROBLYWYTNEENR-ZWKOTPCHSA-N -1 1 376.501 1.426 20 0 GDADMM Cc1cc(C)cc(OCCNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826265334 607596067 /nfs/dbraw/zinc/59/60/67/607596067.db2.gz VLARHBGPPQQYMR-UHFFFAOYSA-N -1 1 391.428 1.980 20 0 GDADMM Cc1cc(C)cc(OCCNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826265334 607596069 /nfs/dbraw/zinc/59/60/69/607596069.db2.gz VLARHBGPPQQYMR-UHFFFAOYSA-N -1 1 391.428 1.980 20 0 GDADMM C[C@H](COCC(F)(F)F)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824443106 607598518 /nfs/dbraw/zinc/59/85/18/607598518.db2.gz ZYHCBZHFNNUBRO-SSDOTTSWSA-N -1 1 399.782 1.766 20 0 GDADMM C[C@H](COCC(F)(F)F)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824443106 607598520 /nfs/dbraw/zinc/59/85/20/607598520.db2.gz ZYHCBZHFNNUBRO-SSDOTTSWSA-N -1 1 399.782 1.766 20 0 GDADMM Cc1c(C(=O)N2C[C@H]3CCCCN3C[C@@H]2C)nnn1C1CCN(C(=O)[O-])CC1 ZINC000740030490 602982311 /nfs/dbraw/zinc/98/23/11/602982311.db2.gz ADFGDPDQFPUDEE-XJKSGUPXSA-N -1 1 390.488 1.600 20 0 GDADMM COC[C@@H](C)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826149070 607598898 /nfs/dbraw/zinc/59/88/98/607598898.db2.gz YJXDIDWTFVTDQF-QMMMGPOBSA-N -1 1 379.364 1.446 20 0 GDADMM CN(CCc1ccncc1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825946158 607600707 /nfs/dbraw/zinc/60/07/07/607600707.db2.gz LDHHAUXYHKYGDO-UHFFFAOYSA-N -1 1 378.845 1.778 20 0 GDADMM CN(CCc1ccncc1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825946158 607600708 /nfs/dbraw/zinc/60/07/08/607600708.db2.gz LDHHAUXYHKYGDO-UHFFFAOYSA-N -1 1 378.845 1.778 20 0 GDADMM O=S(=O)(NCc1nc(C2CC2)no1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826492472 607601728 /nfs/dbraw/zinc/60/17/28/607601728.db2.gz MODXRKQWYLLOMT-UHFFFAOYSA-N -1 1 381.805 1.259 20 0 GDADMM O=S(=O)(NCc1nc(C2CC2)no1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826492472 607601730 /nfs/dbraw/zinc/60/17/30/607601730.db2.gz MODXRKQWYLLOMT-UHFFFAOYSA-N -1 1 381.805 1.259 20 0 GDADMM Cc1nccn1CCCN(C)C(=O)CCc1c(C)[nH]c(=O)c(-c2nnn[n-]2)c1C ZINC000826233158 607601768 /nfs/dbraw/zinc/60/17/68/607601768.db2.gz WCAWHTZGGSMPPV-UHFFFAOYSA-N -1 1 398.471 1.570 20 0 GDADMM O=C([O-])N1CCC2(CC1)NC(=O)N(CN1CC[C@H](Cc3ccccc3)C1)C2=O ZINC000740509331 603052760 /nfs/dbraw/zinc/05/27/60/603052760.db2.gz QAFMKQZWVDFLGX-MRXNPFEDSA-N -1 1 386.452 1.573 20 0 GDADMM CC(C)(C)C(=O)NCCC(=O)Nc1ccc(-c2nc(CNC(=O)[O-])n[nH]2)cc1 ZINC000738675707 603057416 /nfs/dbraw/zinc/05/74/16/603057416.db2.gz WVPIYGYSZNLGLD-UHFFFAOYSA-N -1 1 388.428 1.730 20 0 GDADMM CC(C)(C)C(=O)NCCC(=O)Nc1ccc(-c2n[nH]c(CNC(=O)[O-])n2)cc1 ZINC000738675707 603057422 /nfs/dbraw/zinc/05/74/22/603057422.db2.gz WVPIYGYSZNLGLD-UHFFFAOYSA-N -1 1 388.428 1.730 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCCC[C@@H]1C1OCCO1 ZINC000826494497 607604237 /nfs/dbraw/zinc/60/42/37/607604237.db2.gz FATIVBPKZQWBCL-GFCCVEGCSA-N -1 1 399.860 1.436 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1ccc(Sc2ccccc2)cc1 ZINC000826425509 607607584 /nfs/dbraw/zinc/60/75/84/607607584.db2.gz HKHDZGAIQSUHDB-UHFFFAOYSA-N -1 1 392.448 1.926 20 0 GDADMM C[C@@H](OC(=O)CN1CCN(C(=O)[O-])CC1=O)c1nc2ccc(Cl)cc2[nH]1 ZINC000739042754 603144811 /nfs/dbraw/zinc/14/48/11/603144811.db2.gz QBGURKWSALJPAZ-SECBINFHSA-N -1 1 380.788 1.643 20 0 GDADMM O=C([O-])N[C@@H]1CCC[C@H](C(=O)NCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000740572219 603155437 /nfs/dbraw/zinc/15/54/37/603155437.db2.gz VVCBCNKUTRYDQC-RBUKOAKNSA-N -1 1 388.512 1.747 20 0 GDADMM O=S(=O)(N[C@H]1CCOc2ccc(F)cc21)c1cccc(F)c1-c1nnn[n-]1 ZINC000826489376 607612391 /nfs/dbraw/zinc/61/23/91/607612391.db2.gz NUCDOXCNZQUVTN-LBPRGKRZSA-N -1 1 393.375 1.947 20 0 GDADMM O=S(=O)(N[C@H]1CCOc2ccc(F)cc21)c1cccc(F)c1-c1nn[n-]n1 ZINC000826489376 607612392 /nfs/dbraw/zinc/61/23/92/607612392.db2.gz NUCDOXCNZQUVTN-LBPRGKRZSA-N -1 1 393.375 1.947 20 0 GDADMM C[C@H](CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)Oc1ccccc1 ZINC000824428603 607614523 /nfs/dbraw/zinc/61/45/23/607614523.db2.gz SXYRVZAJADQBJJ-LLVKDONJSA-N -1 1 377.401 1.752 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N(CCO)Cc1ccccc1 ZINC000826495508 607622177 /nfs/dbraw/zinc/62/21/77/607622177.db2.gz RTDNMIIMCFMEGP-UHFFFAOYSA-N -1 1 377.401 1.189 20 0 GDADMM CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(NC(=O)[O-])cc1)N1CCN(C)CC1 ZINC000738772250 603383018 /nfs/dbraw/zinc/38/30/18/603383018.db2.gz DPFSQSSDAJDLGS-INIZCTEOSA-N -1 1 391.472 1.103 20 0 GDADMM Cc1nnc([C@@H]2CN(C(=O)N[C@H](CNC(=O)[O-])C3CCCCC3)CCO2)[nH]1 ZINC000830677169 603481638 /nfs/dbraw/zinc/48/16/38/603481638.db2.gz DJQVXNRUJTYSNK-KGLIPLIRSA-N -1 1 380.449 1.413 20 0 GDADMM Cc1nnc([C@H]2CN(C(=O)N[C@H](CNC(=O)[O-])C3CCCCC3)CCO2)[nH]1 ZINC000830677180 603482004 /nfs/dbraw/zinc/48/20/04/603482004.db2.gz DJQVXNRUJTYSNK-ZIAGYGMSSA-N -1 1 380.449 1.413 20 0 GDADMM CCCc1nc([C@@H]2CN(C(=O)NCC3CCN(C(=O)[O-])CC3)CCO2)n[nH]1 ZINC000826953789 603497572 /nfs/dbraw/zinc/49/75/72/603497572.db2.gz LWJRHTILAKNAIN-ZDUSSCGKSA-N -1 1 380.449 1.230 20 0 GDADMM CCCc1n[nH]c([C@@H]2CN(C(=O)NCC3CCN(C(=O)[O-])CC3)CCO2)n1 ZINC000826953789 603497575 /nfs/dbraw/zinc/49/75/75/603497575.db2.gz LWJRHTILAKNAIN-ZDUSSCGKSA-N -1 1 380.449 1.230 20 0 GDADMM C[C@@H](c1ccccc1)[C@H](CO)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824769841 607636475 /nfs/dbraw/zinc/63/64/75/607636475.db2.gz CCWDSKOOOPCRCE-NHYWBVRUSA-N -1 1 391.428 1.449 20 0 GDADMM CC(C)[C@H](CCN(C)C(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O)NC(=O)[O-] ZINC000824093124 603578577 /nfs/dbraw/zinc/57/85/77/603578577.db2.gz ZKBGMPAXVXPBCR-ZDUSSCGKSA-N -1 1 392.481 1.977 20 0 GDADMM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)NCc1ccnc(N2CCN(C)CC2)c1 ZINC000824195637 603619284 /nfs/dbraw/zinc/61/92/84/603619284.db2.gz BDXZZSGVYSSICJ-INIZCTEOSA-N -1 1 392.504 1.315 20 0 GDADMM O=S(=O)(NC[C@H](O)c1c(F)cccc1F)c1cccc(F)c1-c1nnn[n-]1 ZINC000826489383 607643227 /nfs/dbraw/zinc/64/32/27/607643227.db2.gz NZQIPGCSBLFJOV-NSHDSACASA-N -1 1 399.354 1.296 20 0 GDADMM O=S(=O)(NC[C@H](O)c1c(F)cccc1F)c1cccc(F)c1-c1nn[n-]n1 ZINC000826489383 607643230 /nfs/dbraw/zinc/64/32/30/607643230.db2.gz NZQIPGCSBLFJOV-NSHDSACASA-N -1 1 399.354 1.296 20 0 GDADMM CC(C)(C(=O)NC1CCN(Cc2ccccn2)CC1)N1CCN(C(=O)[O-])CC1 ZINC000823743648 603666168 /nfs/dbraw/zinc/66/61/68/603666168.db2.gz NFOOSFGHQGKYHI-UHFFFAOYSA-N -1 1 389.500 1.236 20 0 GDADMM C[C@H]1CN(CCCNC(=O)C(=O)Nc2cccc(CNC(=O)[O-])c2)C[C@H](C)O1 ZINC000826057395 603689416 /nfs/dbraw/zinc/68/94/16/603689416.db2.gz ILDGUHRIVYMMCS-KBPBESRZSA-N -1 1 392.456 1.008 20 0 GDADMM COc1cccc([C@H](CO)NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000826215361 607645530 /nfs/dbraw/zinc/64/55/30/607645530.db2.gz MZCFNUNVULUWLU-AWEZNQCLSA-N -1 1 393.400 1.026 20 0 GDADMM CN(Cc1ccccc1NC(=O)C(=O)N1CCN(C2CCCC2)CC1)C(=O)[O-] ZINC000828388282 603698851 /nfs/dbraw/zinc/69/88/51/603698851.db2.gz RGYNAGHQSJXFOE-UHFFFAOYSA-N -1 1 388.468 1.822 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)NC1CCN(Cc2ccncc2)CC1)C(=O)[O-] ZINC000828197709 603700908 /nfs/dbraw/zinc/70/09/08/603700908.db2.gz DVOREOPYVBVYJD-QGZVFWFLSA-N -1 1 375.473 1.830 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](C(=O)NCCNC(=O)[O-])C1)N(C)Cc1ccccc1 ZINC000823660861 603707815 /nfs/dbraw/zinc/70/78/15/603707815.db2.gz DTCDZCVZYCXLRC-WBVHZDCISA-N -1 1 390.484 1.129 20 0 GDADMM CCO[C@H]1C[C@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C12CCC2 ZINC000825583485 607646840 /nfs/dbraw/zinc/64/68/40/607646840.db2.gz UVCFXTOVCYGJSA-STQMWFEESA-N -1 1 381.433 1.632 20 0 GDADMM CCO[C@H]1C[C@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C12CCC2 ZINC000825583485 607646842 /nfs/dbraw/zinc/64/68/42/607646842.db2.gz UVCFXTOVCYGJSA-STQMWFEESA-N -1 1 381.433 1.632 20 0 GDADMM Cn1cc(C(C)(C)NS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)cn1 ZINC000826358983 607647444 /nfs/dbraw/zinc/64/74/44/607647444.db2.gz QMMDGNKIHGOVDG-UHFFFAOYSA-N -1 1 381.849 1.467 20 0 GDADMM CCN(C[C@@H]1CCN(CN2CC3(CN(C(=O)[O-])C3)CC2=O)C1)CC(F)(F)F ZINC000827099064 603763048 /nfs/dbraw/zinc/76/30/48/603763048.db2.gz KQEOBTTVHIYDFJ-ZDUSSCGKSA-N -1 1 392.422 1.362 20 0 GDADMM Cc1ccc2nc(CNC(=O)c3cn(C4CCN(C(=O)[O-])CC4)nn3)[nH]c2c1 ZINC000830432922 603764724 /nfs/dbraw/zinc/76/47/24/603764724.db2.gz NDNWYAFVSAAGCA-UHFFFAOYSA-N -1 1 383.412 1.708 20 0 GDADMM C[C@@H](CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)Oc1ccc(F)cc1 ZINC000824429445 607649942 /nfs/dbraw/zinc/64/99/42/607649942.db2.gz WYUAYWICZZTZML-JTQLQIEISA-N -1 1 395.391 1.891 20 0 GDADMM C[C@@H](CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)Oc1ccc(F)cc1 ZINC000824429445 607649943 /nfs/dbraw/zinc/64/99/43/607649943.db2.gz WYUAYWICZZTZML-JTQLQIEISA-N -1 1 395.391 1.891 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCOC[C@H]1c1ccccc1 ZINC000826496373 607656767 /nfs/dbraw/zinc/65/67/67/607656767.db2.gz UCAARZYMPVVEKH-AWEZNQCLSA-N -1 1 389.412 1.768 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCOC[C@H]1c1ccccc1 ZINC000826496373 607656769 /nfs/dbraw/zinc/65/67/69/607656769.db2.gz UCAARZYMPVVEKH-AWEZNQCLSA-N -1 1 389.412 1.768 20 0 GDADMM CN(C)c1nc(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cs1 ZINC000825884169 607659157 /nfs/dbraw/zinc/65/91/57/607659157.db2.gz UHJFIBIDBLEJKM-UHFFFAOYSA-N -1 1 399.889 1.521 20 0 GDADMM CN(C)c1nc(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cs1 ZINC000825884169 607659158 /nfs/dbraw/zinc/65/91/58/607659158.db2.gz UHJFIBIDBLEJKM-UHFFFAOYSA-N -1 1 399.889 1.521 20 0 GDADMM NC(=O)c1csc(C(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)c1 ZINC000831240322 603914039 /nfs/dbraw/zinc/91/40/39/603914039.db2.gz MVAYUTCWIYXEFZ-UHFFFAOYSA-N -1 1 386.393 1.652 20 0 GDADMM NC(=O)c1csc(C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)c1 ZINC000831240322 603914043 /nfs/dbraw/zinc/91/40/43/603914043.db2.gz MVAYUTCWIYXEFZ-UHFFFAOYSA-N -1 1 386.393 1.652 20 0 GDADMM CCCC[C@H](CNC(=O)[O-])NC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000826806478 604015682 /nfs/dbraw/zinc/01/56/82/604015682.db2.gz NSTBCVFGEMVLBR-LLVKDONJSA-N -1 1 378.454 1.778 20 0 GDADMM CN(C[C@@H]1CCCN1CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)C(=O)[O-] ZINC000828223249 604098741 /nfs/dbraw/zinc/09/87/41/604098741.db2.gz JPSDACLWPMTKEC-IRXDYDNUSA-N -1 1 379.432 1.800 20 0 GDADMM COc1cccc2c1CC[C@@H]2NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826218048 607672244 /nfs/dbraw/zinc/67/22/44/607672244.db2.gz MSVIZMIGIQHXOG-ZDUSSCGKSA-N -1 1 389.412 1.980 20 0 GDADMM COc1cccc2c1CC[C@@H]2NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826218048 607672245 /nfs/dbraw/zinc/67/22/45/607672245.db2.gz MSVIZMIGIQHXOG-ZDUSSCGKSA-N -1 1 389.412 1.980 20 0 GDADMM O=S(=O)(NCCc1ccc(Cl)nc1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826491363 607672960 /nfs/dbraw/zinc/67/29/60/607672960.db2.gz GBYORBRYQFYUAR-UHFFFAOYSA-N -1 1 382.808 1.575 20 0 GDADMM Cc1ccc2c(c1)[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)CO2 ZINC000826294005 607673960 /nfs/dbraw/zinc/67/39/60/607673960.db2.gz GROBHWBTDBGSDG-CYBMUJFWSA-N -1 1 375.385 1.726 20 0 GDADMM CCC1(CC)[C@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C[C@H]1OC ZINC000825171706 607674683 /nfs/dbraw/zinc/67/46/83/607674683.db2.gz UNBPMXZXSPWONB-CHWSQXEVSA-N -1 1 383.449 1.878 20 0 GDADMM CCC1(CC)[C@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C[C@H]1OC ZINC000825171706 607674684 /nfs/dbraw/zinc/67/46/84/607674684.db2.gz UNBPMXZXSPWONB-CHWSQXEVSA-N -1 1 383.449 1.878 20 0 GDADMM Cc1cccc([C@@H](O)CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000826297104 607675515 /nfs/dbraw/zinc/67/55/15/607675515.db2.gz VHVLLLXFJNLGMK-ZDUSSCGKSA-N -1 1 393.856 1.840 20 0 GDADMM Cc1cccc([C@@H](O)CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000826297104 607675516 /nfs/dbraw/zinc/67/55/16/607675516.db2.gz VHVLLLXFJNLGMK-ZDUSSCGKSA-N -1 1 393.856 1.840 20 0 GDADMM Cc1cccc([C@H](O)CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826297061 607675576 /nfs/dbraw/zinc/67/55/76/607675576.db2.gz UGBOCGISWXGNHB-CYBMUJFWSA-N -1 1 377.401 1.326 20 0 GDADMM Cc1cccc([C@H](O)CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826297061 607675578 /nfs/dbraw/zinc/67/55/78/607675578.db2.gz UGBOCGISWXGNHB-CYBMUJFWSA-N -1 1 377.401 1.326 20 0 GDADMM O=S(=O)(N[C@@H]1CCOC2(CCCC2)C1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826488950 607675857 /nfs/dbraw/zinc/67/58/57/607675857.db2.gz DLBBZVBYIGDCLE-GFCCVEGCSA-N -1 1 381.433 1.776 20 0 GDADMM C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCC[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000825253044 604258652 /nfs/dbraw/zinc/25/86/52/604258652.db2.gz IALXGCMAAOATKL-TUAOUCFPSA-N -1 1 375.429 1.964 20 0 GDADMM CCc1nc([C@@H]2CN(C(=O)Nc3ccc(OCCC(=O)[O-])cc3)CCO2)n[nH]1 ZINC000830304749 604329992 /nfs/dbraw/zinc/32/99/92/604329992.db2.gz ZAVLNFUWXOTHIJ-AWEZNQCLSA-N -1 1 389.412 1.826 20 0 GDADMM COC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCCc3cn[nH]c32)cc1C(=O)[O-] ZINC000831392414 604423944 /nfs/dbraw/zinc/42/39/44/604423944.db2.gz DOJXXCYNRVWQTJ-ZDUSSCGKSA-N -1 1 386.364 1.027 20 0 GDADMM C[C@H](CN1CCN(C)CC1)NC(=O)NCc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000824907836 604436718 /nfs/dbraw/zinc/43/67/18/604436718.db2.gz NZWUAGONKUTSKZ-CABCVRRESA-N -1 1 377.489 1.450 20 0 GDADMM COc1cccc(-c2nc(CNC3(C(=O)[O-])CCS(=O)(=O)CC3)cs2)c1 ZINC000832515844 604438288 /nfs/dbraw/zinc/43/82/88/604438288.db2.gz WRRPZZUHQYRHNB-UHFFFAOYSA-N -1 1 396.490 1.940 20 0 GDADMM O=C([O-])C1(NCc2nn(-c3ccccc3)c3c2CCC3)CCS(=O)(=O)CC1 ZINC000833176041 604439026 /nfs/dbraw/zinc/43/90/26/604439026.db2.gz WPCSJXYNDKIXEU-UHFFFAOYSA-N -1 1 389.477 1.483 20 0 GDADMM COc1c(C)cnc(CN2CCC(N(C)C(=O)C3(NC(=O)[O-])CC3)CC2)c1C ZINC000829066248 604455970 /nfs/dbraw/zinc/45/59/70/604455970.db2.gz IEPXIGJLUDJHQB-UHFFFAOYSA-N -1 1 390.484 1.930 20 0 GDADMM CS[C@H]1CN(S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)C[C@H]1N(C)C ZINC000833738849 604467893 /nfs/dbraw/zinc/46/78/93/604467893.db2.gz UXQBOTVEVWWVQB-CABCVRRESA-N -1 1 388.511 1.206 20 0 GDADMM CN(C)C[C@H]1CCCN1S(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 ZINC000315758725 604488911 /nfs/dbraw/zinc/48/89/11/604488911.db2.gz SQNNVVYKJGURDJ-SNVBAGLBSA-N -1 1 391.287 1.862 20 0 GDADMM Cc1cc(C(=O)N2CCOCC2)ccc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000271099188 604509462 /nfs/dbraw/zinc/50/94/62/604509462.db2.gz XMPLEYSSSUTAGS-UHFFFAOYSA-N -1 1 393.421 1.295 20 0 GDADMM C[C@@H](Oc1ccc(CN2CCCN(CC(=O)N3CCCC3)CC2)cc1)C(=O)[O-] ZINC000833543700 604532740 /nfs/dbraw/zinc/53/27/40/604532740.db2.gz VADRVXWDIYJRQS-QGZVFWFLSA-N -1 1 389.496 1.669 20 0 GDADMM CN(C)Cc1cc(CNC(=O)C(=O)Nc2cc(C(=O)[O-])cs2)ccc1F ZINC000830620569 604538610 /nfs/dbraw/zinc/53/86/10/604538610.db2.gz WMGWKPVBIHNHQI-UHFFFAOYSA-N -1 1 379.413 1.902 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000826495260 607697689 /nfs/dbraw/zinc/69/76/89/607697689.db2.gz ITPWERFRGDPRLR-VXGBXAGGSA-N -1 1 381.433 1.443 20 0 GDADMM COCCc1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)n(C)n1 ZINC000831795979 604622096 /nfs/dbraw/zinc/62/20/96/604622096.db2.gz WAOSMBLAIUHCCJ-UHFFFAOYSA-N -1 1 375.353 1.386 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SSXLWLJPTHDKTN-GFCCVEGCSA-N -1 1 379.388 1.206 20 0 GDADMM C[C@H]1C[C@H](CNC(=O)[O-])CN1CC(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000833827910 605894903 /nfs/dbraw/zinc/89/49/03/605894903.db2.gz CIGOREHSJRQUEE-DOTOQJQBSA-N -1 1 385.468 1.509 20 0 GDADMM O=C(CN1CCC2(C1)CCN(C(=O)[O-])CC2)NCc1ccc2c(c1)OCO2 ZINC000834008320 605900764 /nfs/dbraw/zinc/90/07/64/605900764.db2.gz VYHDRQBXVUQMCY-UHFFFAOYSA-N -1 1 375.425 1.497 20 0 GDADMM O=C([O-])NC1CCN(C(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)CC1 ZINC000834185740 605929632 /nfs/dbraw/zinc/92/96/32/605929632.db2.gz MZNTYOZXOLPFQA-UHFFFAOYSA-N -1 1 381.339 1.698 20 0 GDADMM O=C([O-])N1CCN(CCCN[C@H]2CCS(=O)(=O)c3ccc(F)cc32)CC1 ZINC000834113392 605980566 /nfs/dbraw/zinc/98/05/66/605980566.db2.gz UYUQNWOKCBJENF-HNNXBMFYSA-N -1 1 385.461 1.320 20 0 GDADMM O=C([O-])NCc1nc(-c2ccc(NS(=O)(=O)C[C@@H]3CCCO3)cc2)n[nH]1 ZINC000834246436 606018676 /nfs/dbraw/zinc/01/86/76/606018676.db2.gz BTJMCCNUJTVPRK-LBPRGKRZSA-N -1 1 381.414 1.160 20 0 GDADMM O=C([O-])N(CC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)C[C@@H]1CCCO1 ZINC000834068223 606093896 /nfs/dbraw/zinc/09/38/96/606093896.db2.gz KYQQYIHLVZDMEA-KGLIPLIRSA-N -1 1 377.445 1.547 20 0 GDADMM CC(=O)NCc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)s2)o1 ZINC000819811004 606135241 /nfs/dbraw/zinc/13/52/41/606135241.db2.gz TUUVFEZIYXBKAU-QMMMGPOBSA-N -1 1 389.393 1.586 20 0 GDADMM CC(=O)NCc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)s2)o1 ZINC000819811004 606135243 /nfs/dbraw/zinc/13/52/43/606135243.db2.gz TUUVFEZIYXBKAU-QMMMGPOBSA-N -1 1 389.393 1.586 20 0 GDADMM C[C@H]1[C@H](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820642565 606144042 /nfs/dbraw/zinc/14/40/42/606144042.db2.gz KFQXCPSRIQMMIE-ZFWWWQNUSA-N -1 1 384.465 1.904 20 0 GDADMM C[C@H]1[C@H](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820642565 606144044 /nfs/dbraw/zinc/14/40/44/606144044.db2.gz KFQXCPSRIQMMIE-ZFWWWQNUSA-N -1 1 384.465 1.904 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1 ZINC000822604960 606164572 /nfs/dbraw/zinc/16/45/72/606164572.db2.gz RXFNUUQWZOJWMO-UHFFFAOYSA-N -1 1 398.271 1.949 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1 ZINC000822604960 606164573 /nfs/dbraw/zinc/16/45/73/606164573.db2.gz RXFNUUQWZOJWMO-UHFFFAOYSA-N -1 1 398.271 1.949 20 0 GDADMM CNC(=O)[C@H](C)CN(C)C(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000821630247 606184516 /nfs/dbraw/zinc/18/45/16/606184516.db2.gz QSYHEXPOZVFFCQ-SECBINFHSA-N -1 1 389.485 1.315 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])C1CCN(C(=O)N2CCCC2)CC1 ZINC000823294525 606196054 /nfs/dbraw/zinc/19/60/54/606196054.db2.gz FNYJFZXOTNLKSA-UHFFFAOYSA-N -1 1 385.428 1.439 20 0 GDADMM CN(C)c1ncccc1N(C)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000821590683 606201510 /nfs/dbraw/zinc/20/15/10/606201510.db2.gz AQEFGFBIKWIRAE-UHFFFAOYSA-N -1 1 393.860 1.806 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)n1 ZINC000822620572 606260536 /nfs/dbraw/zinc/26/05/36/606260536.db2.gz XHOJQLHRJNAZCB-UHFFFAOYSA-N -1 1 377.368 1.780 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)n1 ZINC000822620572 606260538 /nfs/dbraw/zinc/26/05/38/606260538.db2.gz XHOJQLHRJNAZCB-UHFFFAOYSA-N -1 1 377.368 1.780 20 0 GDADMM COc1ccc(-n2nnc(C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])c2C)cc1 ZINC000821770521 606297513 /nfs/dbraw/zinc/29/75/13/606297513.db2.gz VSGKECLWSBKEIM-UHFFFAOYSA-N -1 1 392.379 1.722 20 0 GDADMM O=C(NCc1nn[n-]n1)c1ccc(Sc2ccccc2-c2nn[nH]n2)cc1 ZINC000823270178 606322483 /nfs/dbraw/zinc/32/24/83/606322483.db2.gz ZQKKGLFUZFZBMP-UHFFFAOYSA-N -1 1 379.409 1.461 20 0 GDADMM CCc1nn(Cc2ccc(-n3ccnc3)nc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000821517375 606332873 /nfs/dbraw/zinc/33/28/73/606332873.db2.gz IOPFIKAHMXMDGC-UHFFFAOYSA-N -1 1 377.412 1.177 20 0 GDADMM O=C(NCCC1CCN(CC(F)(F)F)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823187473 606366934 /nfs/dbraw/zinc/36/69/34/606366934.db2.gz LLTMAPCJNHZANA-UHFFFAOYSA-N -1 1 383.378 1.656 20 0 GDADMM O=C(NCCC1CCN(CC(F)(F)F)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823187473 606366935 /nfs/dbraw/zinc/36/69/35/606366935.db2.gz LLTMAPCJNHZANA-UHFFFAOYSA-N -1 1 383.378 1.656 20 0 GDADMM O=C([C@@H]1CC12CCOCC2)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000822917227 606379170 /nfs/dbraw/zinc/37/91/70/606379170.db2.gz QHKFUVFFWJVSOZ-ZDUSSCGKSA-N -1 1 399.455 1.197 20 0 GDADMM CNC(=O)CCOC1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000821633090 606427565 /nfs/dbraw/zinc/42/75/65/606427565.db2.gz XZYXUOJIONRRAN-UHFFFAOYSA-N -1 1 381.440 1.536 20 0 GDADMM CNC(=O)CCOC1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000821633090 606427567 /nfs/dbraw/zinc/42/75/67/606427567.db2.gz XZYXUOJIONRRAN-UHFFFAOYSA-N -1 1 381.440 1.536 20 0 GDADMM O=S(=O)(NC[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823573007 606474574 /nfs/dbraw/zinc/47/45/74/606474574.db2.gz PZYUKYARFKQWBZ-UWVGGRQHSA-N -1 1 390.391 1.909 20 0 GDADMM O=S(=O)(NC[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823573007 606474576 /nfs/dbraw/zinc/47/45/76/606474576.db2.gz PZYUKYARFKQWBZ-UWVGGRQHSA-N -1 1 390.391 1.909 20 0 GDADMM C[C@]1(c2cccc(NC(=O)c3ccc(-c4nnn[n-]4)s3)c2)NC(=O)NC1=O ZINC000820636617 606514968 /nfs/dbraw/zinc/51/49/68/606514968.db2.gz VDXYJIMTIHQISO-MRXNPFEDSA-N -1 1 383.393 1.235 20 0 GDADMM C[C@]1(c2cccc(NC(=O)c3ccc(-c4nn[n-]n4)s3)c2)NC(=O)NC1=O ZINC000820636617 606514970 /nfs/dbraw/zinc/51/49/70/606514970.db2.gz VDXYJIMTIHQISO-MRXNPFEDSA-N -1 1 383.393 1.235 20 0 GDADMM CCC1(C(=O)N2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)CC1 ZINC000820944303 606522737 /nfs/dbraw/zinc/52/27/37/606522737.db2.gz KBOAORRSXHTGKK-UHFFFAOYSA-N -1 1 383.412 1.954 20 0 GDADMM O=C(N[C@@H](C(=O)Nc1cc[nH]n1)c1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823140727 606553225 /nfs/dbraw/zinc/55/32/25/606553225.db2.gz YPOSUDPCJPCIMX-CQSZACIVSA-N -1 1 394.420 1.761 20 0 GDADMM O=C(N[C@@H](C(=O)Nc1cc[nH]n1)c1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823140727 606553226 /nfs/dbraw/zinc/55/32/26/606553226.db2.gz YPOSUDPCJPCIMX-CQSZACIVSA-N -1 1 394.420 1.761 20 0 GDADMM COC(=O)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)Cc1cccc(F)c1 ZINC000821641160 606553852 /nfs/dbraw/zinc/55/38/52/606553852.db2.gz XDDHYIDZEJJBIC-LLVKDONJSA-N -1 1 389.412 1.829 20 0 GDADMM COC(=O)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)Cc1cccc(F)c1 ZINC000821641160 606553853 /nfs/dbraw/zinc/55/38/53/606553853.db2.gz XDDHYIDZEJJBIC-LLVKDONJSA-N -1 1 389.412 1.829 20 0 GDADMM NC(=O)c1ccccc1N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000822889814 606559130 /nfs/dbraw/zinc/55/91/30/606559130.db2.gz FTMFTYMDGNZUCM-SNVBAGLBSA-N -1 1 383.437 1.036 20 0 GDADMM NC(=O)c1ccccc1N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000822889814 606559131 /nfs/dbraw/zinc/55/91/31/606559131.db2.gz FTMFTYMDGNZUCM-SNVBAGLBSA-N -1 1 383.437 1.036 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@H](c3noc(C4CC4)n3)C2)n1 ZINC000822609575 606579819 /nfs/dbraw/zinc/57/98/19/606579819.db2.gz QMMFNRKWKLLOFI-JTQLQIEISA-N -1 1 384.404 1.272 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@H](c3noc(C4CC4)n3)C2)n1 ZINC000822609575 606579820 /nfs/dbraw/zinc/57/98/20/606579820.db2.gz QMMFNRKWKLLOFI-JTQLQIEISA-N -1 1 384.404 1.272 20 0 GDADMM CC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1cccc(S(N)(=O)=O)c1 ZINC000820919869 606595391 /nfs/dbraw/zinc/59/53/91/606595391.db2.gz HAHIGPXIMQLXQI-LLVKDONJSA-N -1 1 392.466 1.457 20 0 GDADMM CC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1cccc(S(N)(=O)=O)c1 ZINC000820919869 606595393 /nfs/dbraw/zinc/59/53/93/606595393.db2.gz HAHIGPXIMQLXQI-LLVKDONJSA-N -1 1 392.466 1.457 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N(CCCO)[C@H]2CCCc3ccccc32)n1 ZINC000822605120 606642784 /nfs/dbraw/zinc/64/27/84/606642784.db2.gz ZSEXELFJXLYHSO-INIZCTEOSA-N -1 1 396.455 1.894 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N(CCCO)[C@H]2CCCc3ccccc32)n1 ZINC000822605120 606642785 /nfs/dbraw/zinc/64/27/85/606642785.db2.gz ZSEXELFJXLYHSO-INIZCTEOSA-N -1 1 396.455 1.894 20 0 GDADMM COc1ccc(-n2ccc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)n2)cc1 ZINC000821769089 606647855 /nfs/dbraw/zinc/64/78/55/606647855.db2.gz CSABJXXZASITKS-UHFFFAOYSA-N -1 1 377.364 1.813 20 0 GDADMM COc1ccc(-n2ccc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)n2)cc1 ZINC000821769089 606647856 /nfs/dbraw/zinc/64/78/56/606647856.db2.gz CSABJXXZASITKS-UHFFFAOYSA-N -1 1 377.364 1.813 20 0 GDADMM CC(C)CNC(=O)N1CCC[C@@H](C(=O)OCc2ccnc(-c3nnn[n-]3)c2)C1 ZINC000820096712 606649534 /nfs/dbraw/zinc/64/95/34/606649534.db2.gz GGVSHGIXCJIITD-CQSZACIVSA-N -1 1 387.444 1.383 20 0 GDADMM CC(C)CNC(=O)N1CCC[C@@H](C(=O)OCc2ccnc(-c3nn[n-]n3)c2)C1 ZINC000820096712 606649535 /nfs/dbraw/zinc/64/95/35/606649535.db2.gz GGVSHGIXCJIITD-CQSZACIVSA-N -1 1 387.444 1.383 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000823436359 606651611 /nfs/dbraw/zinc/65/16/11/606651611.db2.gz RISNCAJPDCSQLF-CQSZACIVSA-N -1 1 385.428 1.233 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000823436359 606651612 /nfs/dbraw/zinc/65/16/12/606651612.db2.gz RISNCAJPDCSQLF-CQSZACIVSA-N -1 1 385.428 1.233 20 0 GDADMM CCc1nc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)nn1-c1ccccc1F ZINC000821506029 606651684 /nfs/dbraw/zinc/65/16/84/606651684.db2.gz WMQUOFRUBPWCJJ-UHFFFAOYSA-N -1 1 394.370 1.901 20 0 GDADMM CCc1nc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)nn1-c1ccccc1F ZINC000821506029 606651685 /nfs/dbraw/zinc/65/16/85/606651685.db2.gz WMQUOFRUBPWCJJ-UHFFFAOYSA-N -1 1 394.370 1.901 20 0 GDADMM COCCOCc1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)ccc1F ZINC000821692982 606651711 /nfs/dbraw/zinc/65/17/11/606651711.db2.gz MIGXHZOKCTZOIX-UHFFFAOYSA-N -1 1 387.371 1.921 20 0 GDADMM COCCOCc1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)ccc1F ZINC000821692982 606651712 /nfs/dbraw/zinc/65/17/12/606651712.db2.gz MIGXHZOKCTZOIX-UHFFFAOYSA-N -1 1 387.371 1.921 20 0 GDADMM O=C(O[C@H]1CCN(c2c(F)cccc2F)C1=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000823392622 606753029 /nfs/dbraw/zinc/75/30/29/606753029.db2.gz QXNMVDURMIPILZ-ZDUSSCGKSA-N -1 1 386.318 1.502 20 0 GDADMM O=C(O[C@H]1CCN(c2c(F)cccc2F)C1=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000823392622 606753031 /nfs/dbraw/zinc/75/30/31/606753031.db2.gz QXNMVDURMIPILZ-ZDUSSCGKSA-N -1 1 386.318 1.502 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)Nc1cccc(F)c1 ZINC000820788304 606767398 /nfs/dbraw/zinc/76/73/98/606767398.db2.gz CQQFSRDNWHOOOI-NSHDSACASA-N -1 1 383.391 1.538 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)Nc1cccc(F)c1 ZINC000820788304 606767400 /nfs/dbraw/zinc/76/74/00/606767400.db2.gz CQQFSRDNWHOOOI-NSHDSACASA-N -1 1 383.391 1.538 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1noc2c1CCCC2 ZINC000820804694 606783375 /nfs/dbraw/zinc/78/33/75/606783375.db2.gz XPXMMCVKGRTMHG-LBPRGKRZSA-N -1 1 381.444 1.234 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1noc2c1CCCC2 ZINC000820804694 606783377 /nfs/dbraw/zinc/78/33/77/606783377.db2.gz XPXMMCVKGRTMHG-LBPRGKRZSA-N -1 1 381.444 1.234 20 0 GDADMM Cc1ccc([C@H](C)NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)o1 ZINC000822228959 606789908 /nfs/dbraw/zinc/78/99/08/606789908.db2.gz JNMRPVYGXHIDRC-AAEUAGOBSA-N -1 1 397.443 1.539 20 0 GDADMM Cc1ccc([C@H](C)NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)o1 ZINC000822228959 606789911 /nfs/dbraw/zinc/78/99/11/606789911.db2.gz JNMRPVYGXHIDRC-AAEUAGOBSA-N -1 1 397.443 1.539 20 0 GDADMM CC[C@@H]1CCC[C@H](NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)C1 ZINC000820971794 606794109 /nfs/dbraw/zinc/79/41/09/606794109.db2.gz GBTNZKMLRSBVHE-ZNMIVQPWSA-N -1 1 399.503 1.846 20 0 GDADMM CC[C@@H]1CCC[C@H](NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)C1 ZINC000820971794 606794111 /nfs/dbraw/zinc/79/41/11/606794111.db2.gz GBTNZKMLRSBVHE-ZNMIVQPWSA-N -1 1 399.503 1.846 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N[C@@H]1CCCC1(C)C ZINC000820789119 606794382 /nfs/dbraw/zinc/79/43/82/606794382.db2.gz VWUYEMIPFMSDRD-CHWSQXEVSA-N -1 1 385.476 1.456 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N[C@@H]1CCCC1(C)C ZINC000820789119 606794383 /nfs/dbraw/zinc/79/43/83/606794383.db2.gz VWUYEMIPFMSDRD-CHWSQXEVSA-N -1 1 385.476 1.456 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC[C@]2(C)CCCC[C@@H]2O)cc1-c1nn[n-]n1 ZINC000821979523 606817151 /nfs/dbraw/zinc/81/71/51/606817151.db2.gz SNTUHYMDTZFAOY-ZBEGNZNMSA-N -1 1 378.458 1.360 20 0 GDADMM CC(C)=C[C@@H]1[C@H](C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)C1(C)C ZINC000820005183 606821156 /nfs/dbraw/zinc/82/11/56/606821156.db2.gz MDVUCPGDGMODBJ-RRFJBIMHSA-N -1 1 396.499 1.932 20 0 GDADMM CC(C)=C[C@@H]1[C@H](C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)C1(C)C ZINC000820005183 606821157 /nfs/dbraw/zinc/82/11/57/606821157.db2.gz MDVUCPGDGMODBJ-RRFJBIMHSA-N -1 1 396.499 1.932 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc2c(s1)CCC2 ZINC000820788584 606824025 /nfs/dbraw/zinc/82/40/25/606824025.db2.gz KAAKLGDRUZSEEK-NSHDSACASA-N -1 1 396.480 1.558 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc2c(s1)CCC2 ZINC000820788584 606824027 /nfs/dbraw/zinc/82/40/27/606824027.db2.gz KAAKLGDRUZSEEK-NSHDSACASA-N -1 1 396.480 1.558 20 0 GDADMM COc1cc(C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)ccc1O ZINC000821703152 606828790 /nfs/dbraw/zinc/82/87/90/606828790.db2.gz RCFJPPPQKWCYTC-UHFFFAOYSA-N -1 1 387.352 1.586 20 0 GDADMM Cc1cccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1C ZINC000822284361 606831877 /nfs/dbraw/zinc/83/18/77/606831877.db2.gz QASWWEMPPOYEKH-CYBMUJFWSA-N -1 1 378.440 1.624 20 0 GDADMM Cc1cccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1C ZINC000822284361 606831878 /nfs/dbraw/zinc/83/18/78/606831878.db2.gz QASWWEMPPOYEKH-CYBMUJFWSA-N -1 1 378.440 1.624 20 0 GDADMM C[C@H](NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1cccnc1 ZINC000820352162 606832816 /nfs/dbraw/zinc/83/28/16/606832816.db2.gz SQVRKYXIALSMEN-OLZOCXBDSA-N -1 1 394.443 1.033 20 0 GDADMM C[C@H](NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1cccnc1 ZINC000820352162 606832818 /nfs/dbraw/zinc/83/28/18/606832818.db2.gz SQVRKYXIALSMEN-OLZOCXBDSA-N -1 1 394.443 1.033 20 0 GDADMM C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820690731 606835816 /nfs/dbraw/zinc/83/58/16/606835816.db2.gz RAFIMVLOCVTIIL-BARDWOONSA-N -1 1 399.503 1.702 20 0 GDADMM C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820690731 606835819 /nfs/dbraw/zinc/83/58/19/606835819.db2.gz RAFIMVLOCVTIIL-BARDWOONSA-N -1 1 399.503 1.702 20 0 GDADMM CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820863632 606840326 /nfs/dbraw/zinc/84/03/26/606840326.db2.gz UVVBCLQTXJGQJR-GXFFZTMASA-N -1 1 376.442 1.253 20 0 GDADMM CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820863632 606840327 /nfs/dbraw/zinc/84/03/27/606840327.db2.gz UVVBCLQTXJGQJR-GXFFZTMASA-N -1 1 376.442 1.253 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCC(C(F)(F)F)CC1 ZINC000823601187 606846014 /nfs/dbraw/zinc/84/60/14/606846014.db2.gz VHMDCDCJBRVASK-UHFFFAOYSA-N -1 1 379.339 1.969 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000823601115 606847591 /nfs/dbraw/zinc/84/75/91/606847591.db2.gz RSKWXAZJNWHORI-CHWSQXEVSA-N -1 1 399.860 1.089 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C(C)(C)c1cccs1 ZINC000820776967 606854820 /nfs/dbraw/zinc/85/48/20/606854820.db2.gz OJIVVXHAKKOUPD-GFCCVEGCSA-N -1 1 398.496 1.733 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C(C)(C)c1cccs1 ZINC000820776967 606854823 /nfs/dbraw/zinc/85/48/23/606854823.db2.gz OJIVVXHAKKOUPD-GFCCVEGCSA-N -1 1 398.496 1.733 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820211302 606854990 /nfs/dbraw/zinc/85/49/90/606854990.db2.gz HLZZYTMWJDJTAK-LLVKDONJSA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820211302 606854992 /nfs/dbraw/zinc/85/49/92/606854992.db2.gz HLZZYTMWJDJTAK-LLVKDONJSA-N -1 1 383.416 1.119 20 0 GDADMM CCNS(=O)(=O)c1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000821293270 606878487 /nfs/dbraw/zinc/87/84/87/606878487.db2.gz JHEYBJBLDFPALJ-UHFFFAOYSA-N -1 1 393.860 1.825 20 0 GDADMM CCNS(=O)(=O)c1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000821293270 606878488 /nfs/dbraw/zinc/87/84/88/606878488.db2.gz JHEYBJBLDFPALJ-UHFFFAOYSA-N -1 1 393.860 1.825 20 0 GDADMM O[C@H](C[C@@H]1COCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccco1 ZINC000823673787 606879193 /nfs/dbraw/zinc/87/91/93/606879193.db2.gz OESKFHBENHWOHO-ZYHUDNBSSA-N -1 1 376.804 1.837 20 0 GDADMM O[C@H](C[C@@H]1COCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccco1 ZINC000823673787 606879195 /nfs/dbraw/zinc/87/91/95/606879195.db2.gz OESKFHBENHWOHO-ZYHUDNBSSA-N -1 1 376.804 1.837 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OC[C@@H](C)CS(C)(=O)=O ZINC000822540677 606898412 /nfs/dbraw/zinc/89/84/12/606898412.db2.gz FFKWIHLSFQCWDI-SNVBAGLBSA-N -1 1 393.425 1.396 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OC[C@@H](C)CS(C)(=O)=O ZINC000822540677 606898413 /nfs/dbraw/zinc/89/84/13/606898413.db2.gz FFKWIHLSFQCWDI-SNVBAGLBSA-N -1 1 393.425 1.396 20 0 GDADMM O=C(N[C@H]1CCN(c2ncccc2Cl)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823154578 606905345 /nfs/dbraw/zinc/90/53/45/606905345.db2.gz GXFTVJZDUKUYFN-VIFPVBQESA-N -1 1 375.845 1.985 20 0 GDADMM O=C(N[C@H]1CCN(c2ncccc2Cl)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823154578 606905347 /nfs/dbraw/zinc/90/53/47/606905347.db2.gz GXFTVJZDUKUYFN-VIFPVBQESA-N -1 1 375.845 1.985 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N[C@H]1CCC(F)(F)C1 ZINC000820788703 606934093 /nfs/dbraw/zinc/93/40/93/606934093.db2.gz MPBLECLTTXNEMX-QWRGUYRKSA-N -1 1 393.402 1.065 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N[C@H]1CCC(F)(F)C1 ZINC000820788703 606934095 /nfs/dbraw/zinc/93/40/95/606934095.db2.gz MPBLECLTTXNEMX-QWRGUYRKSA-N -1 1 393.402 1.065 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000823478572 606937429 /nfs/dbraw/zinc/93/74/29/606937429.db2.gz MCVPCFJNQHLHDE-NVXWUHKLSA-N -1 1 380.408 1.226 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000823478572 606937431 /nfs/dbraw/zinc/93/74/31/606937431.db2.gz MCVPCFJNQHLHDE-NVXWUHKLSA-N -1 1 380.408 1.226 20 0 GDADMM Cc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)c(O[C@@H]2CCOC2)c1 ZINC000822238328 606956750 /nfs/dbraw/zinc/95/67/50/606956750.db2.gz CKVJFYAOUUNACS-OAHLLOKOSA-N -1 1 380.408 1.668 20 0 GDADMM Cc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)c(O[C@@H]2CCOC2)c1 ZINC000822238328 606956751 /nfs/dbraw/zinc/95/67/51/606956751.db2.gz CKVJFYAOUUNACS-OAHLLOKOSA-N -1 1 380.408 1.668 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCCc2nc(C)c(C)s2)cc1-c1nn[n-]n1 ZINC000821979785 606967989 /nfs/dbraw/zinc/96/79/89/606967989.db2.gz XDKPTVWJMKPYIG-UHFFFAOYSA-N -1 1 391.482 1.735 20 0 GDADMM Cc1nc(CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c(C)s1 ZINC000822436382 607062647 /nfs/dbraw/zinc/06/26/47/607062647.db2.gz KTOHUDCYHOFZQD-JTQLQIEISA-N -1 1 399.484 1.010 20 0 GDADMM Cc1nc(CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c(C)s1 ZINC000822436382 607062649 /nfs/dbraw/zinc/06/26/49/607062649.db2.gz KTOHUDCYHOFZQD-JTQLQIEISA-N -1 1 399.484 1.010 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H](C)CC(=O)c1ccco1 ZINC000822004391 607103201 /nfs/dbraw/zinc/10/32/01/607103201.db2.gz GQEHWSZBQRZJGM-JTQLQIEISA-N -1 1 398.423 1.887 20 0 GDADMM CS/C=C/C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000821956397 607120253 /nfs/dbraw/zinc/12/02/53/607120253.db2.gz NUAXATJKBQEAOE-BQYQJAHWSA-N -1 1 385.409 1.411 20 0 GDADMM CS/C=C/C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000821956397 607120255 /nfs/dbraw/zinc/12/02/55/607120255.db2.gz NUAXATJKBQEAOE-BQYQJAHWSA-N -1 1 385.409 1.411 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@@H]2CCCc2ccccc2)n(C)c1=O ZINC000822601438 607130148 /nfs/dbraw/zinc/13/01/48/607130148.db2.gz ZUERNZRAIDDEJD-HNNXBMFYSA-N -1 1 395.467 1.256 20 0 GDADMM CCNc1nc(C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)cs1 ZINC000821310005 607179017 /nfs/dbraw/zinc/17/90/17/607179017.db2.gz VYRULSNXHCFYJZ-UHFFFAOYSA-N -1 1 391.413 1.760 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H](CCO)c1ccccc1 ZINC000822004622 607186196 /nfs/dbraw/zinc/18/61/96/607186196.db2.gz JTXOJNOWCPTKTA-MRXNPFEDSA-N -1 1 396.451 1.757 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CC(C(F)F)C1 ZINC000822458990 607187681 /nfs/dbraw/zinc/18/76/81/607187681.db2.gz MAAKNOYDWNOEKC-UHFFFAOYSA-N -1 1 376.371 1.182 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CC(C(F)F)C1 ZINC000822458990 607187682 /nfs/dbraw/zinc/18/76/82/607187682.db2.gz MAAKNOYDWNOEKC-UHFFFAOYSA-N -1 1 376.371 1.182 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccc(-c2n[nH]c3c2CCCC3)c1 ZINC000823136315 607208475 /nfs/dbraw/zinc/20/84/75/607208475.db2.gz VGQVLDHJVVYBJY-UHFFFAOYSA-N -1 1 390.411 1.366 20 0 GDADMM CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000819817377 607210971 /nfs/dbraw/zinc/21/09/71/607210971.db2.gz CQVITDDSUHOTNM-UHFFFAOYSA-N -1 1 395.305 1.074 20 0 GDADMM Cc1ccc(-c2nc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)sc2C)s1 ZINC000822214288 607214569 /nfs/dbraw/zinc/21/45/69/607214569.db2.gz YMBFXHNFRXKNTH-UHFFFAOYSA-N -1 1 387.454 1.899 20 0 GDADMM O=C(C[C@H]1C=CCC1)Nc1ccccc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822941301 607215315 /nfs/dbraw/zinc/21/53/15/607215315.db2.gz UAXBSLBCNMKMJH-LBPRGKRZSA-N -1 1 393.411 1.392 20 0 GDADMM CC(C)(CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(F)cc1Cl ZINC000819981109 607216675 /nfs/dbraw/zinc/21/66/75/607216675.db2.gz MTQVJZLMGFCGDO-UHFFFAOYSA-N -1 1 378.799 1.345 20 0 GDADMM Cc1ccccc1COc1cccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000822361722 607217040 /nfs/dbraw/zinc/21/70/40/607217040.db2.gz HPBFGQWKSFYHEY-UHFFFAOYSA-N -1 1 390.407 1.984 20 0 GDADMM CC[C@H](CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)Oc1ccccc1Cl ZINC000820908543 607221648 /nfs/dbraw/zinc/22/16/48/607221648.db2.gz NKXMEWTZUTURSU-SNVBAGLBSA-N -1 1 376.808 1.085 20 0 GDADMM C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820819730 607222706 /nfs/dbraw/zinc/22/27/06/607222706.db2.gz KAOWZDDCOUEHBM-MRVPVSSYSA-N -1 1 393.238 1.911 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(Cl)c(Br)c1 ZINC000823131670 607223583 /nfs/dbraw/zinc/22/35/83/607223583.db2.gz LRXPVTKUAKPVLY-UHFFFAOYSA-N -1 1 383.597 1.513 20 0 GDADMM CN(CCN1C(=O)c2ccccc2C1=O)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000825938638 607824455 /nfs/dbraw/zinc/82/44/55/607824455.db2.gz UCMZSGJFFRRVAS-UHFFFAOYSA-N -1 1 382.405 1.296 20 0 GDADMM CN(CCN1C(=O)c2ccccc2C1=O)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000825938638 607824456 /nfs/dbraw/zinc/82/44/56/607824456.db2.gz UCMZSGJFFRRVAS-UHFFFAOYSA-N -1 1 382.405 1.296 20 0 GDADMM CN(C)C(=O)c1ccc(NC(=O)COc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000825845455 607864539 /nfs/dbraw/zinc/86/45/39/607864539.db2.gz JIWNAWQNYKFCAK-UHFFFAOYSA-N -1 1 384.371 1.725 20 0 GDADMM CN(C)C(=O)c1ccc(NC(=O)COc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000825845455 607864540 /nfs/dbraw/zinc/86/45/40/607864540.db2.gz JIWNAWQNYKFCAK-UHFFFAOYSA-N -1 1 384.371 1.725 20 0 GDADMM COc1ccc(OC)c(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826210977 607867683 /nfs/dbraw/zinc/86/76/83/607867683.db2.gz LHHZAXYEGVKTQS-UHFFFAOYSA-N -1 1 380.357 1.791 20 0 GDADMM COc1ccc(OC)c(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826210977 607867684 /nfs/dbraw/zinc/86/76/84/607867684.db2.gz LHHZAXYEGVKTQS-UHFFFAOYSA-N -1 1 380.357 1.791 20 0 GDADMM COc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)cc1OC ZINC000826211673 607867716 /nfs/dbraw/zinc/86/77/16/607867716.db2.gz PAQSEBAUMUDHPW-UHFFFAOYSA-N -1 1 380.357 1.791 20 0 GDADMM COc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)cc1OC ZINC000826211673 607867717 /nfs/dbraw/zinc/86/77/17/607867717.db2.gz PAQSEBAUMUDHPW-UHFFFAOYSA-N -1 1 380.357 1.791 20 0 GDADMM O=S(=O)(NC[C@@H]1CCC[C@H]1O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826489887 607937582 /nfs/dbraw/zinc/93/75/82/607937582.db2.gz COHIALZNTOKQFH-GZMMTYOYSA-N -1 1 391.375 1.325 20 0 GDADMM COc1cc(OC)cc([C@@H](Nc2ccc(-c3nnn[n-]3)nn2)c2nccn2C)c1 ZINC000826181238 607988213 /nfs/dbraw/zinc/98/82/13/607988213.db2.gz QPESGRZTPFQBNG-MRXNPFEDSA-N -1 1 393.411 1.609 20 0 GDADMM COc1cc(OC)cc([C@@H](Nc2ccc(-c3nn[n-]n3)nn2)c2nccn2C)c1 ZINC000826181238 607988214 /nfs/dbraw/zinc/98/82/14/607988214.db2.gz QPESGRZTPFQBNG-MRXNPFEDSA-N -1 1 393.411 1.609 20 0 GDADMM Brc1ccc([C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CCO2)cc1 ZINC000823827228 607989417 /nfs/dbraw/zinc/98/94/17/607989417.db2.gz XYWZMMVXJMTXSA-ZDUSSCGKSA-N -1 1 388.229 1.997 20 0 GDADMM Brc1ccc([C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CCO2)cc1 ZINC000823827228 607989418 /nfs/dbraw/zinc/98/94/18/607989418.db2.gz XYWZMMVXJMTXSA-ZDUSSCGKSA-N -1 1 388.229 1.997 20 0 GDADMM O=C(NC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000826434149 608005125 /nfs/dbraw/zinc/00/51/25/608005125.db2.gz DMZCAMLSBLKZOI-CYBMUJFWSA-N -1 1 382.449 1.707 20 0 GDADMM O=C(NC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000826434149 608005126 /nfs/dbraw/zinc/00/51/26/608005126.db2.gz DMZCAMLSBLKZOI-CYBMUJFWSA-N -1 1 382.449 1.707 20 0 GDADMM COC(=O)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)Oc1ccc(F)cc1 ZINC000826103611 608007228 /nfs/dbraw/zinc/00/72/28/608007228.db2.gz IOUVVYCFMNGZHD-NSHDSACASA-N -1 1 391.384 1.418 20 0 GDADMM COC(=O)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)Oc1ccc(F)cc1 ZINC000826103611 608007229 /nfs/dbraw/zinc/00/72/29/608007229.db2.gz IOUVVYCFMNGZHD-NSHDSACASA-N -1 1 391.384 1.418 20 0 GDADMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1cc2c(cc1Cl)OCCCO2 ZINC000826424973 608013602 /nfs/dbraw/zinc/01/36/02/608013602.db2.gz KOKJRDCJOLALFI-UHFFFAOYSA-N -1 1 375.776 1.517 20 0 GDADMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1cc2c(cc1Cl)OCCCO2 ZINC000826424973 608013603 /nfs/dbraw/zinc/01/36/03/608013603.db2.gz KOKJRDCJOLALFI-UHFFFAOYSA-N -1 1 375.776 1.517 20 0 GDADMM O=C(NCc1nnc2n1CCC[C@H]2C(F)(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC000826444243 608038394 /nfs/dbraw/zinc/03/83/94/608038394.db2.gz XPDBANCNNGEXNR-SSDOTTSWSA-N -1 1 398.374 1.889 20 0 GDADMM O=C(NCc1nnc2n1CCC[C@H]2C(F)(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC000826444243 608038395 /nfs/dbraw/zinc/03/83/95/608038395.db2.gz XPDBANCNNGEXNR-SSDOTTSWSA-N -1 1 398.374 1.889 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)O[C@H](C)C(=O)OC(C)(C)C ZINC000826233153 608103488 /nfs/dbraw/zinc/10/34/88/608103488.db2.gz VVMHIRHQIISQLF-LLVKDONJSA-N -1 1 391.428 1.790 20 0 GDADMM COc1cc(CN2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)ccn1 ZINC000826179625 608104567 /nfs/dbraw/zinc/10/45/67/608104567.db2.gz WRCVNTXQBDIMEG-UHFFFAOYSA-N -1 1 382.428 1.458 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@H](NC(=O)OC(C)(C)C)C2CC2)n1 ZINC000826357203 608119228 /nfs/dbraw/zinc/11/92/28/608119228.db2.gz VSTCYPASIRGKTP-NSHDSACASA-N -1 1 391.436 1.025 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@H](NC(=O)OC(C)(C)C)C2CC2)n1 ZINC000826357203 608119229 /nfs/dbraw/zinc/11/92/29/608119229.db2.gz VSTCYPASIRGKTP-NSHDSACASA-N -1 1 391.436 1.025 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C2CC2)n1 ZINC000826357202 608119364 /nfs/dbraw/zinc/11/93/64/608119364.db2.gz VSTCYPASIRGKTP-LLVKDONJSA-N -1 1 391.436 1.025 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C2CC2)n1 ZINC000826357202 608119365 /nfs/dbraw/zinc/11/93/65/608119365.db2.gz VSTCYPASIRGKTP-LLVKDONJSA-N -1 1 391.436 1.025 20 0 GDADMM O=S(=O)(N[C@H]1COc2cc(F)cc(F)c21)c1cccc(F)c1-c1nnn[n-]1 ZINC000826489135 608126940 /nfs/dbraw/zinc/12/69/40/608126940.db2.gz IOHYXSKHLZRIHD-JTQLQIEISA-N -1 1 397.338 1.696 20 0 GDADMM O=S(=O)(N[C@H]1COc2cc(F)cc(F)c21)c1cccc(F)c1-c1nn[n-]n1 ZINC000826489135 608126941 /nfs/dbraw/zinc/12/69/41/608126941.db2.gz IOHYXSKHLZRIHD-JTQLQIEISA-N -1 1 397.338 1.696 20 0 GDADMM CC1([C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3-c3nn[n-]n3)C2)OCCO1 ZINC000824816600 608127107 /nfs/dbraw/zinc/12/71/07/608127107.db2.gz GQTXJKBHORIAIO-LLVKDONJSA-N -1 1 397.432 1.170 20 0 GDADMM Cc1cc2c(cc1C)O[C@@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)C2 ZINC000826273262 608211979 /nfs/dbraw/zinc/21/19/79/608211979.db2.gz WEYIURYXBQKCFI-OAHLLOKOSA-N -1 1 396.455 1.184 20 0 GDADMM Cc1cc2c(cc1C)O[C@@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)C2 ZINC000826273262 608211982 /nfs/dbraw/zinc/21/19/82/608211982.db2.gz WEYIURYXBQKCFI-OAHLLOKOSA-N -1 1 396.455 1.184 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C(C)(C)c1ccc(F)cc1 ZINC000825923307 608212773 /nfs/dbraw/zinc/21/27/73/608212773.db2.gz GJDGWDNFPURTDF-UHFFFAOYSA-N -1 1 386.435 1.680 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C(C)(C)c1ccc(F)cc1 ZINC000825923307 608212775 /nfs/dbraw/zinc/21/27/75/608212775.db2.gz GJDGWDNFPURTDF-UHFFFAOYSA-N -1 1 386.435 1.680 20 0 GDADMM COc1ccc([C@H](OC)[C@@H](C)NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000826189481 608266395 /nfs/dbraw/zinc/26/63/95/608266395.db2.gz WRSIHURAVBOWRC-QMTHXVAHSA-N -1 1 386.416 1.507 20 0 GDADMM COc1ccc([C@H](OC)[C@@H](C)NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000826189481 608266396 /nfs/dbraw/zinc/26/63/96/608266396.db2.gz WRSIHURAVBOWRC-QMTHXVAHSA-N -1 1 386.416 1.507 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@H]1COC2(CCCC2)O1 ZINC000826340693 608325811 /nfs/dbraw/zinc/32/58/11/608325811.db2.gz HISZFPHOTRYOGU-ZDUSSCGKSA-N -1 1 398.423 1.974 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@H]1COC2(CCCC2)O1 ZINC000826340693 608325813 /nfs/dbraw/zinc/32/58/13/608325813.db2.gz HISZFPHOTRYOGU-ZDUSSCGKSA-N -1 1 398.423 1.974 20 0 GDADMM Cc1cccc(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)c1 ZINC000826298181 608340794 /nfs/dbraw/zinc/34/07/94/608340794.db2.gz HLOBJOSVOCMZLN-UHFFFAOYSA-N -1 1 382.428 1.382 20 0 GDADMM Cc1cccc(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)c1 ZINC000826298181 608340795 /nfs/dbraw/zinc/34/07/95/608340795.db2.gz HLOBJOSVOCMZLN-UHFFFAOYSA-N -1 1 382.428 1.382 20 0 GDADMM CC(C)(C)c1cc(NC(=O)C[C@@H]2CCS(=O)(=O)C2)c(-c2nnn[n-]2)s1 ZINC000824130178 608345908 /nfs/dbraw/zinc/34/59/08/608345908.db2.gz IOPYDVNDWFJJDN-VIFPVBQESA-N -1 1 383.499 1.989 20 0 GDADMM CC(C)(C)c1cc(NC(=O)C[C@@H]2CCS(=O)(=O)C2)c(-c2nn[n-]n2)s1 ZINC000824130178 608345910 /nfs/dbraw/zinc/34/59/10/608345910.db2.gz IOPYDVNDWFJJDN-VIFPVBQESA-N -1 1 383.499 1.989 20 0 GDADMM Cn1nnnc1SCCC(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000826367163 608350286 /nfs/dbraw/zinc/35/02/86/608350286.db2.gz OINMTAHSZBMGAU-UHFFFAOYSA-N -1 1 393.502 1.870 20 0 GDADMM Cn1nnnc1SCCC(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000826367163 608350288 /nfs/dbraw/zinc/35/02/88/608350288.db2.gz OINMTAHSZBMGAU-UHFFFAOYSA-N -1 1 393.502 1.870 20 0 GDADMM C[C@@H](c1ccncc1)N(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824771124 608351133 /nfs/dbraw/zinc/35/11/33/608351133.db2.gz PAMIIBPVOFJVSX-NSHDSACASA-N -1 1 397.443 1.371 20 0 GDADMM C[C@@H](c1ccncc1)N(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824771124 608351134 /nfs/dbraw/zinc/35/11/34/608351134.db2.gz PAMIIBPVOFJVSX-NSHDSACASA-N -1 1 397.443 1.371 20 0 GDADMM C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)[C@@H](C)C1 ZINC000824915354 608353697 /nfs/dbraw/zinc/35/36/97/608353697.db2.gz DJWCSNLECWIYDG-MDZLAQPJSA-N -1 1 388.476 1.698 20 0 GDADMM C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)[C@@H](C)C1 ZINC000824915354 608353700 /nfs/dbraw/zinc/35/37/00/608353700.db2.gz DJWCSNLECWIYDG-MDZLAQPJSA-N -1 1 388.476 1.698 20 0 GDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000826395200 608386144 /nfs/dbraw/zinc/38/61/44/608386144.db2.gz RJUWAAOFQCZIMW-SSDOTTSWSA-N -1 1 390.766 1.131 20 0 GDADMM Cc1cccc(C)c1NC(=O)CN1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826297031 608390019 /nfs/dbraw/zinc/39/00/19/608390019.db2.gz SLVXDCAISIGTLE-UHFFFAOYSA-N -1 1 393.455 1.034 20 0 GDADMM Cc1cccc(C)c1NC(=O)CN1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826297031 608390021 /nfs/dbraw/zinc/39/00/21/608390021.db2.gz SLVXDCAISIGTLE-UHFFFAOYSA-N -1 1 393.455 1.034 20 0 GDADMM Cc1ccc(S(=O)(=O)CCCn2nc(C)c(C)c(-c3nn[n-]n3)c2=O)cc1 ZINC000826292772 608396388 /nfs/dbraw/zinc/39/63/88/608396388.db2.gz KYGRTAHCFHXXTF-UHFFFAOYSA-N -1 1 388.453 1.213 20 0 GDADMM CN(Cc1ccccc1)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000825980555 608400182 /nfs/dbraw/zinc/40/01/82/608400182.db2.gz FCJHPTBWVAWDDL-UHFFFAOYSA-N -1 1 379.428 1.031 20 0 GDADMM CN(Cc1ccccc1)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000825980555 608400183 /nfs/dbraw/zinc/40/01/83/608400183.db2.gz FCJHPTBWVAWDDL-UHFFFAOYSA-N -1 1 379.428 1.031 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000825930724 608408373 /nfs/dbraw/zinc/40/83/73/608408373.db2.gz XJYXGYCONUUHPY-UHFFFAOYSA-N -1 1 399.415 1.040 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000825930724 608408376 /nfs/dbraw/zinc/40/83/76/608408376.db2.gz XJYXGYCONUUHPY-UHFFFAOYSA-N -1 1 399.415 1.040 20 0 GDADMM O=C(c1ccc2c(c1)OCO2)N1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000826473655 608513933 /nfs/dbraw/zinc/51/39/33/608513933.db2.gz HVPBOIRBFOLJHA-UHFFFAOYSA-N -1 1 382.380 1.146 20 0 GDADMM O=C(c1ccc2c(c1)OCO2)N1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000826473655 608513935 /nfs/dbraw/zinc/51/39/35/608513935.db2.gz HVPBOIRBFOLJHA-UHFFFAOYSA-N -1 1 382.380 1.146 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C=Cc1ccc(Cl)nc1 ZINC000825923577 608555196 /nfs/dbraw/zinc/55/51/96/608555196.db2.gz MRVGDQIZJNSEAO-ALCCZGGFSA-N -1 1 387.835 1.325 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C=Cc1ccc(Cl)nc1 ZINC000825923577 608555197 /nfs/dbraw/zinc/55/51/97/608555197.db2.gz MRVGDQIZJNSEAO-ALCCZGGFSA-N -1 1 387.835 1.325 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C/C=C\c1cccc(F)c1 ZINC000825923532 608557049 /nfs/dbraw/zinc/55/70/49/608557049.db2.gz LGEXMDRRKLXPEN-UTCJRWHESA-N -1 1 384.419 1.806 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C/C=C\c1cccc(F)c1 ZINC000825923532 608557050 /nfs/dbraw/zinc/55/70/50/608557050.db2.gz LGEXMDRRKLXPEN-UTCJRWHESA-N -1 1 384.419 1.806 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[nH]n1)C(=O)c1c([O-])cccc1Cl ZINC000825930011 608557987 /nfs/dbraw/zinc/55/79/87/608557987.db2.gz NZOMBLFWIGWCFG-UHFFFAOYSA-N -1 1 376.808 1.236 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CCCSC(C)(C)C ZINC000825923683 608559109 /nfs/dbraw/zinc/55/91/09/608559109.db2.gz RJAPGVBQIVOZKN-UHFFFAOYSA-N -1 1 380.522 1.875 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CCCSC(C)(C)C ZINC000825923683 608559110 /nfs/dbraw/zinc/55/91/10/608559110.db2.gz RJAPGVBQIVOZKN-UHFFFAOYSA-N -1 1 380.522 1.875 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@H](c1ccccc1)C1CC1 ZINC000825923119 608560128 /nfs/dbraw/zinc/56/01/28/608560128.db2.gz CMRWNQXMNDPFDP-OAHLLOKOSA-N -1 1 380.456 1.757 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@H](c1ccccc1)C1CC1 ZINC000825923119 608560129 /nfs/dbraw/zinc/56/01/29/608560129.db2.gz CMRWNQXMNDPFDP-OAHLLOKOSA-N -1 1 380.456 1.757 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N[C@H]1CCC(C)(C)C1 ZINC000825000331 608588046 /nfs/dbraw/zinc/58/80/46/608588046.db2.gz OOHUSEGMGBLVFY-OLZOCXBDSA-N -1 1 385.476 1.456 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N[C@H]1CCC(C)(C)C1 ZINC000825000331 608588047 /nfs/dbraw/zinc/58/80/47/608588047.db2.gz OOHUSEGMGBLVFY-OLZOCXBDSA-N -1 1 385.476 1.456 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N[C@@H]1CCC(C)(C)C1 ZINC000825000330 608588325 /nfs/dbraw/zinc/58/83/25/608588325.db2.gz OOHUSEGMGBLVFY-CHWSQXEVSA-N -1 1 385.476 1.456 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N[C@@H]1CCC(C)(C)C1 ZINC000825000330 608588327 /nfs/dbraw/zinc/58/83/27/608588327.db2.gz OOHUSEGMGBLVFY-CHWSQXEVSA-N -1 1 385.476 1.456 20 0 GDADMM COC(=O)CN(Cc1ccc(-c2nnn[n-]2)o1)Cc1cc(OC)cc(OC)c1 ZINC000826138075 608630657 /nfs/dbraw/zinc/63/06/57/608630657.db2.gz CXKILEOKHXIBLE-UHFFFAOYSA-N -1 1 387.396 1.652 20 0 GDADMM COC(=O)CN(Cc1ccc(-c2nn[n-]n2)o1)Cc1cc(OC)cc(OC)c1 ZINC000826138075 608630658 /nfs/dbraw/zinc/63/06/58/608630658.db2.gz CXKILEOKHXIBLE-UHFFFAOYSA-N -1 1 387.396 1.652 20 0 GDADMM CN1CCC(=O)Nc2cc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)ccc21 ZINC000826021614 608821960 /nfs/dbraw/zinc/82/19/60/608821960.db2.gz AKGQUWIKXOVXSX-UHFFFAOYSA-N -1 1 379.380 1.397 20 0 GDADMM CN1CCC(=O)Nc2cc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)ccc21 ZINC000826021614 608821962 /nfs/dbraw/zinc/82/19/62/608821962.db2.gz AKGQUWIKXOVXSX-UHFFFAOYSA-N -1 1 379.380 1.397 20 0 GDADMM O=C(c1c(O)cccc1O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000826469026 608861644 /nfs/dbraw/zinc/86/16/44/608861644.db2.gz REENHOVQGKGDBV-UHFFFAOYSA-N -1 1 397.395 1.106 20 0 GDADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2Cc1ncn(-c2ccccc2)n1 ZINC000826294814 608888698 /nfs/dbraw/zinc/88/86/98/608888698.db2.gz DWDZOXGLKOWCTP-UHFFFAOYSA-N -1 1 385.391 1.514 20 0 GDADMM Cc1oc(NC(=O)CN(C)Cc2cnc(N(C)C)nc2)c(-c2nn[n-]n2)c1C ZINC000826341710 609141771 /nfs/dbraw/zinc/14/17/71/609141771.db2.gz OFYOBRMXRVLPSI-UHFFFAOYSA-N -1 1 385.432 1.003 20 0 GDADMM CCCn1cc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)nn1 ZINC000825357097 609292275 /nfs/dbraw/zinc/29/22/75/609292275.db2.gz YBPRDSURDKEKIW-UHFFFAOYSA-N -1 1 382.363 1.445 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCCCC1CCCC1 ZINC000825929499 609298898 /nfs/dbraw/zinc/29/88/98/609298898.db2.gz GULZYQWEMISWAF-UHFFFAOYSA-N -1 1 375.481 1.716 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCCCC1CCCC1 ZINC000825929499 609298900 /nfs/dbraw/zinc/29/89/00/609298900.db2.gz GULZYQWEMISWAF-UHFFFAOYSA-N -1 1 375.481 1.716 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@H](c1ccccc1)C1CC1 ZINC000825930666 609299187 /nfs/dbraw/zinc/29/91/87/609299187.db2.gz WAUDAHXZAFWOHW-MRXNPFEDSA-N -1 1 395.471 1.897 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@H](c1ccccc1)C1CC1 ZINC000825930666 609299189 /nfs/dbraw/zinc/29/91/89/609299189.db2.gz WAUDAHXZAFWOHW-MRXNPFEDSA-N -1 1 395.471 1.897 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NC[C@H]1Cc2ccccc21 ZINC000825929282 609300748 /nfs/dbraw/zinc/30/07/48/609300748.db2.gz FENWDPXOEDQRAF-GFCCVEGCSA-N -1 1 381.444 1.086 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NC[C@H]1Cc2ccccc21 ZINC000825929282 609300750 /nfs/dbraw/zinc/30/07/50/609300750.db2.gz FENWDPXOEDQRAF-GFCCVEGCSA-N -1 1 381.444 1.086 20 0 GDADMM C[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1cccc(O)c1 ZINC000824490907 609302077 /nfs/dbraw/zinc/30/20/77/609302077.db2.gz QZDUXIWOPRPBJK-SNVBAGLBSA-N -1 1 385.432 1.213 20 0 GDADMM C[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1cccc(O)c1 ZINC000824490907 609302079 /nfs/dbraw/zinc/30/20/79/609302079.db2.gz QZDUXIWOPRPBJK-SNVBAGLBSA-N -1 1 385.432 1.213 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCC1(C)CCCCC1 ZINC000825929853 609308362 /nfs/dbraw/zinc/30/83/62/609308362.db2.gz MLTJWBWSGVJLIH-UHFFFAOYSA-N -1 1 375.481 1.716 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCC1(C)CCCCC1 ZINC000825929853 609308365 /nfs/dbraw/zinc/30/83/65/609308365.db2.gz MLTJWBWSGVJLIH-UHFFFAOYSA-N -1 1 375.481 1.716 20 0 GDADMM O=C(C[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000826404905 609329744 /nfs/dbraw/zinc/32/97/44/609329744.db2.gz PQBMUQIDXFWYJA-AWEZNQCLSA-N -1 1 398.448 1.688 20 0 GDADMM O=C(C[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000826404905 609329746 /nfs/dbraw/zinc/32/97/46/609329746.db2.gz PQBMUQIDXFWYJA-AWEZNQCLSA-N -1 1 398.448 1.688 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C(=O)NC1CCCC1 ZINC000826458118 609354869 /nfs/dbraw/zinc/35/48/69/609354869.db2.gz DDMDEYRQKBVHBM-UHFFFAOYSA-N -1 1 384.375 1.189 20 0 GDADMM COC[C@H](NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C1CC1 ZINC000826150975 609356044 /nfs/dbraw/zinc/35/60/44/609356044.db2.gz QGHQRAUYCDVZAN-LBPRGKRZSA-N -1 1 386.391 1.738 20 0 GDADMM C[C@@H](NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)[C@@H]1CCOC1 ZINC000824507090 609360503 /nfs/dbraw/zinc/36/05/03/609360503.db2.gz UCAPLRBNMCHVBT-GHMZBOCLSA-N -1 1 386.391 1.738 20 0 GDADMM COC[C@@H](NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C(C)C ZINC000826150388 609364235 /nfs/dbraw/zinc/36/42/35/609364235.db2.gz CYEZUZIOJQBHOK-GFCCVEGCSA-N -1 1 388.407 1.984 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N[C@@H](CCO)C1CC1 ZINC000826458365 609365085 /nfs/dbraw/zinc/36/50/85/609365085.db2.gz MYQOFFOBFYANDX-LBPRGKRZSA-N -1 1 386.391 1.474 20 0 GDADMM Cc1ocnc1CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826343230 609366964 /nfs/dbraw/zinc/36/69/64/609366964.db2.gz SATGKKSJXOMGJW-UHFFFAOYSA-N -1 1 383.347 1.810 20 0 GDADMM C[C@H]1CCN(CC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)C[C@H]1F ZINC000824954500 609374037 /nfs/dbraw/zinc/37/40/37/609374037.db2.gz KNWALAXUGLLVSR-SWLSCSKDSA-N -1 1 384.419 1.671 20 0 GDADMM C[C@H]1CCN(CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)C[C@H]1F ZINC000824954500 609374040 /nfs/dbraw/zinc/37/40/40/609374040.db2.gz KNWALAXUGLLVSR-SWLSCSKDSA-N -1 1 384.419 1.671 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OC[C@H]1CCO[C@@H](C)C1 ZINC000826233111 609388377 /nfs/dbraw/zinc/38/83/77/609388377.db2.gz UPELTHYCCXKSMZ-GWCFXTLKSA-N -1 1 375.429 1.875 20 0 GDADMM CC[C@@H](C)n1nc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1C ZINC000825076235 609392234 /nfs/dbraw/zinc/39/22/34/609392234.db2.gz UUCBLLHEHOJCKK-SNVBAGLBSA-N -1 1 386.464 1.353 20 0 GDADMM CC[C@@H](C)n1nc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1C ZINC000825076235 609392237 /nfs/dbraw/zinc/39/22/37/609392237.db2.gz UUCBLLHEHOJCKK-SNVBAGLBSA-N -1 1 386.464 1.353 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@H](CO)C2CCCCC2)cc1-c1nn[n-]n1 ZINC000826229584 609406709 /nfs/dbraw/zinc/40/67/09/609406709.db2.gz JQVIULYTUJJOCM-GFCCVEGCSA-N -1 1 378.458 1.360 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000826472563 609455227 /nfs/dbraw/zinc/45/52/27/609455227.db2.gz ONOAMUOAMCPSMY-UHFFFAOYSA-N -1 1 392.345 1.954 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000826472563 609455228 /nfs/dbraw/zinc/45/52/28/609455228.db2.gz ONOAMUOAMCPSMY-UHFFFAOYSA-N -1 1 392.345 1.954 20 0 GDADMM Cc1onc(CC(=O)NCCOc2cccc(C(F)(F)F)n2)c1-c1nnn[n-]1 ZINC000826347381 609468038 /nfs/dbraw/zinc/46/80/38/609468038.db2.gz PGPYCSQHMOKXNQ-UHFFFAOYSA-N -1 1 397.317 1.315 20 0 GDADMM Cc1onc(CC(=O)NCCOc2cccc(C(F)(F)F)n2)c1-c1nn[n-]n1 ZINC000826347381 609468040 /nfs/dbraw/zinc/46/80/40/609468040.db2.gz PGPYCSQHMOKXNQ-UHFFFAOYSA-N -1 1 397.317 1.315 20 0 GDADMM Cc1onc(CC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C2CC2)c1-c1nnn[n-]1 ZINC000826346325 609469678 /nfs/dbraw/zinc/46/96/78/609469678.db2.gz JPYMMKZMMLBCEY-GFCCVEGCSA-N -1 1 391.432 1.125 20 0 GDADMM Cc1onc(CC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C2CC2)c1-c1nn[n-]n1 ZINC000826346325 609469679 /nfs/dbraw/zinc/46/96/79/609469679.db2.gz JPYMMKZMMLBCEY-GFCCVEGCSA-N -1 1 391.432 1.125 20 0 GDADMM CC(C)c1nc([C@H]2COCCN2c2ccc(Cl)c(-c3nnn[n-]3)n2)no1 ZINC000824358716 609494843 /nfs/dbraw/zinc/49/48/43/609494843.db2.gz OUCJIHORESCFEX-SNVBAGLBSA-N -1 1 376.808 1.999 20 0 GDADMM CC(C)c1nc([C@H]2COCCN2c2ccc(Cl)c(-c3nn[n-]n3)n2)no1 ZINC000824358716 609494844 /nfs/dbraw/zinc/49/48/44/609494844.db2.gz OUCJIHORESCFEX-SNVBAGLBSA-N -1 1 376.808 1.999 20 0 GDADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2cnn(CC(F)(F)F)c2)o1 ZINC000531911693 650001874 /nfs/dbraw/zinc/00/18/74/650001874.db2.gz ZXHVZTCHKVMAEW-UHFFFAOYSA-N -1 1 381.332 1.694 20 0 GDADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)CSc2nc3ccccc3[nH]2)c1 ZINC000538605546 650315259 /nfs/dbraw/zinc/31/52/59/650315259.db2.gz UJCMRXQFSHDNEV-UHFFFAOYSA-N -1 1 378.435 1.647 20 0 GDADMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(OC)c(S(N)(=O)=O)c1 ZINC000538705880 650319096 /nfs/dbraw/zinc/31/90/96/650319096.db2.gz BFPVCIMTSJXVNZ-UHFFFAOYSA-N -1 1 386.451 1.290 20 0 GDADMM CC(C)(C)OC(=O)CSCC(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000539705870 650339190 /nfs/dbraw/zinc/33/91/90/650339190.db2.gz QSLWJKFAYQATLE-UHFFFAOYSA-N -1 1 376.456 1.053 20 0 GDADMM COC(=O)[C@@]1([N-]S(=O)(=O)c2cccc(Br)c2F)CCOC1 ZINC000541536129 650386313 /nfs/dbraw/zinc/38/63/13/650386313.db2.gz ZWLDQUBAFCALAE-GFCCVEGCSA-N -1 1 382.207 1.199 20 0 GDADMM C[C@H](Cc1ccccc1Br)NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000543695997 650428528 /nfs/dbraw/zinc/42/85/28/650428528.db2.gz WJJHFWBYDYXXSH-SECBINFHSA-N -1 1 376.214 1.541 20 0 GDADMM O=C1C[C@@H](c2noc(C[N-]S(=O)(=O)c3cccs3)n2)CN1CC1CC1 ZINC000545800088 650461825 /nfs/dbraw/zinc/46/18/25/650461825.db2.gz CGEUFQHYAUSVBJ-LLVKDONJSA-N -1 1 382.467 1.336 20 0 GDADMM COCCn1ccc(NC(=O)c2ccc(I)c([O-])c2)n1 ZINC000546194711 650474102 /nfs/dbraw/zinc/47/41/02/650474102.db2.gz VIQRHOOQWKWYRS-UHFFFAOYSA-N -1 1 387.177 2.092 20 0 GDADMM C[C@@H](NS(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1)c1nnc[nH]1 ZINC000546260337 650475490 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CN1C(=O)C[C@@H]([N-]S(=O)(=O)Cc2cccc(Cl)c2Br)C1=O ZINC000915323271 660167505 /nfs/dbraw/zinc/16/75/05/660167505.db2.gz ZWPDTGVEVNKMRK-SECBINFHSA-N -1 1 395.662 1.279 20 0 GDADMM N#Cc1cccnc1NCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000146814421 677676762 /nfs/dbraw/zinc/67/67/62/677676762.db2.gz FSHZDEXRMIFXNC-UHFFFAOYSA-N -1 1 381.801 1.905 20 0 GDADMM CCN1C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC1=O ZINC000391585900 677677828 /nfs/dbraw/zinc/67/78/28/677677828.db2.gz HLKHSUPIRFJCOE-VIFPVBQESA-N -1 1 392.231 1.256 20 0 GDADMM COc1ccc(Br)c(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)c1 ZINC000798147859 677679291 /nfs/dbraw/zinc/67/92/91/677679291.db2.gz HNLYBIIYCLEIAE-UHFFFAOYSA-N -1 1 382.218 1.095 20 0 GDADMM Cc1noc([C@@H](C)N2CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)n1 ZINC000737535593 945091090 /nfs/dbraw/zinc/09/10/90/945091090.db2.gz ZWCZVANHRAOZMO-SECBINFHSA-N -1 1 375.824 1.490 20 0 GDADMM Cc1noc([C@@H](C)N2CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)n1 ZINC000737535593 945091097 /nfs/dbraw/zinc/09/10/97/945091097.db2.gz ZWCZVANHRAOZMO-SECBINFHSA-N -1 1 375.824 1.490 20 0 GDADMM Cc1oc(NC(=O)COC(=O)c2cnc(N)c(Cl)c2)c(-c2nn[n-]n2)c1C ZINC000737551841 945093217 /nfs/dbraw/zinc/09/32/17/945093217.db2.gz JPYNQUNUMYKLJZ-UHFFFAOYSA-N -1 1 391.775 1.503 20 0 GDADMM O=C([O-])[C@@H](NC(=O)NCCN1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000780360438 939110206 /nfs/dbraw/zinc/11/02/06/939110206.db2.gz PUSNEWCELAWDIQ-FQEVSTJZSA-N -1 1 396.491 1.929 20 0 GDADMM CCCN([C@@H](C)C(=O)OCC)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001571258295 945351345 /nfs/dbraw/zinc/35/13/45/945351345.db2.gz PHQOAIKIYPENMW-JTQLQIEISA-N -1 1 385.421 1.358 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1nccs1 ZINC001571261650 945429937 /nfs/dbraw/zinc/42/99/37/945429937.db2.gz HUCSWQHZZXBNTK-GHMZBOCLSA-N -1 1 385.457 1.147 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1nccs1 ZINC001571261650 945429945 /nfs/dbraw/zinc/42/99/45/945429945.db2.gz HUCSWQHZZXBNTK-GHMZBOCLSA-N -1 1 385.457 1.147 20 0 GDADMM CCN(C(=O)c1scnc1C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571262523 945439384 /nfs/dbraw/zinc/43/93/84/945439384.db2.gz SIMHKKDIEDJEJA-LLVKDONJSA-N -1 1 385.457 1.163 20 0 GDADMM CCN(C(=O)c1scnc1C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571262523 945439391 /nfs/dbraw/zinc/43/93/91/945439391.db2.gz SIMHKKDIEDJEJA-LLVKDONJSA-N -1 1 385.457 1.163 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC2(C)CCN(C(=O)c3ccns3)CC2)n1 ZINC001571262783 945441361 /nfs/dbraw/zinc/44/13/61/945441361.db2.gz XTYKAZQCSATICN-UHFFFAOYSA-N -1 1 385.457 1.528 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC2(C)CCN(C(=O)c3ccns3)CC2)n1 ZINC001571262783 945441367 /nfs/dbraw/zinc/44/13/67/945441367.db2.gz XTYKAZQCSATICN-UHFFFAOYSA-N -1 1 385.457 1.528 20 0 GDADMM Cc1nsc(C)c1C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC001571263016 945447463 /nfs/dbraw/zinc/44/74/63/945447463.db2.gz FSBDXTOSHKWLEI-ONGXEEELSA-N -1 1 385.457 1.445 20 0 GDADMM Cc1nsc(C)c1C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)[C@@H]1C ZINC001571263016 945447468 /nfs/dbraw/zinc/44/74/68/945447468.db2.gz FSBDXTOSHKWLEI-ONGXEEELSA-N -1 1 385.457 1.445 20 0 GDADMM CCCC(O)(CCC)CNS(=O)(=O)c1c(C)cc(F)cc1-c1nn[n-]n1 ZINC001571263048 945449608 /nfs/dbraw/zinc/44/96/08/945449608.db2.gz GLINUEGXKQEZCB-UHFFFAOYSA-N -1 1 385.465 1.924 20 0 GDADMM Cc1nsc(N2CC[C@@]3(NC(=O)c4cn[nH]c4)CCC[C@H]23)c1-c1nn[n-]n1 ZINC001571263899 945469718 /nfs/dbraw/zinc/46/97/18/945469718.db2.gz ZHMFXQAGVPRCKE-ZBEGNZNMSA-N -1 1 385.457 1.286 20 0 GDADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1)c1ccc(Cl)[nH]1 ZINC001571264904 945495768 /nfs/dbraw/zinc/49/57/68/945495768.db2.gz ACMRBDZCLUFXEN-UISBYWKRSA-N -1 1 385.819 1.178 20 0 GDADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1)c1ccc(Cl)[nH]1 ZINC001571264904 945495772 /nfs/dbraw/zinc/49/57/72/945495772.db2.gz ACMRBDZCLUFXEN-UISBYWKRSA-N -1 1 385.819 1.178 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccncc1Cl ZINC001571265592 945513133 /nfs/dbraw/zinc/51/31/33/945513133.db2.gz MEARUFUDJPXIAU-SNVBAGLBSA-N -1 1 385.819 1.104 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccncc1Cl ZINC001571265592 945513142 /nfs/dbraw/zinc/51/31/42/945513142.db2.gz MEARUFUDJPXIAU-SNVBAGLBSA-N -1 1 385.819 1.104 20 0 GDADMM CC[C@@H](OC)C(=O)N1CC[C@@H](N(C)c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571266114 945530715 /nfs/dbraw/zinc/53/07/15/945530715.db2.gz WKQNPBOXRNNTLH-RKDXNWHRSA-N -1 1 385.881 1.439 20 0 GDADMM O=C(Cc1cc(F)ccc1F)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571266907 945555905 /nfs/dbraw/zinc/55/59/05/945555905.db2.gz BYYHZRDIFXFCMQ-GFCCVEGCSA-N -1 1 386.366 1.190 20 0 GDADMM O=C(Cc1cc(F)ccc1F)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571266907 945555914 /nfs/dbraw/zinc/55/59/14/945555914.db2.gz BYYHZRDIFXFCMQ-GFCCVEGCSA-N -1 1 386.366 1.190 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(F)cc2F)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571266913 945556393 /nfs/dbraw/zinc/55/63/93/945556393.db2.gz CBIVDIOFSGVTSG-OTYXRUKQSA-N -1 1 386.366 1.508 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(F)cc2F)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571266913 945556398 /nfs/dbraw/zinc/55/63/98/945556398.db2.gz CBIVDIOFSGVTSG-OTYXRUKQSA-N -1 1 386.366 1.508 20 0 GDADMM Cc1cc(F)c(C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cc1F ZINC001571267002 945559677 /nfs/dbraw/zinc/55/96/77/945559677.db2.gz FXINJXRSNLZKDX-MGCOHNPYSA-N -1 1 386.366 1.038 20 0 GDADMM O=C(c1cccc(C(F)F)c1)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571267061 945560900 /nfs/dbraw/zinc/56/09/00/945560900.db2.gz IBTGUANLKZYOCF-LBPRGKRZSA-N -1 1 386.366 1.921 20 0 GDADMM O=C(c1cccc(C(F)F)c1)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571267061 945560909 /nfs/dbraw/zinc/56/09/09/945560909.db2.gz IBTGUANLKZYOCF-LBPRGKRZSA-N -1 1 386.366 1.921 20 0 GDADMM CCN1CCOC[C@H]1C(=O)Nc1cccc(OC(F)(F)F)c1-c1nn[n-]n1 ZINC001571267109 945561848 /nfs/dbraw/zinc/56/18/48/945561848.db2.gz JJAGVFJXWUFIGJ-JTQLQIEISA-N -1 1 386.334 1.425 20 0 GDADMM Cc1cc(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c(F)cc1F ZINC001571267261 945564563 /nfs/dbraw/zinc/56/45/63/945564563.db2.gz OCRJYUAFQDOBCN-MGCOHNPYSA-N -1 1 386.366 1.616 20 0 GDADMM Cc1cc(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c(F)cc1F ZINC001571267261 945564569 /nfs/dbraw/zinc/56/45/69/945564569.db2.gz OCRJYUAFQDOBCN-MGCOHNPYSA-N -1 1 386.366 1.616 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccc(F)cc1F ZINC001571267373 945568416 /nfs/dbraw/zinc/56/84/16/945568416.db2.gz SJLXUDZUSHYKLT-TVQRCGJNSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccc(F)cc1F ZINC001571267373 945568423 /nfs/dbraw/zinc/56/84/23/945568423.db2.gz SJLXUDZUSHYKLT-TVQRCGJNSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccc(F)cc1F ZINC001571267372 945568890 /nfs/dbraw/zinc/56/88/90/945568890.db2.gz SJLXUDZUSHYKLT-RNCFNFMXSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccc(F)cc1F ZINC001571267372 945568897 /nfs/dbraw/zinc/56/88/97/945568897.db2.gz SJLXUDZUSHYKLT-RNCFNFMXSA-N -1 1 386.366 1.650 20 0 GDADMM O=C(NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)c1cc(F)cc(F)c1 ZINC001571267562 945572816 /nfs/dbraw/zinc/57/28/16/945572816.db2.gz YQLVIFWPAISIBW-CYBMUJFWSA-N -1 1 386.366 1.334 20 0 GDADMM O=C(NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)c1cc(F)cc(F)c1 ZINC001571267562 945572820 /nfs/dbraw/zinc/57/28/20/945572820.db2.gz YQLVIFWPAISIBW-CYBMUJFWSA-N -1 1 386.366 1.334 20 0 GDADMM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1)C1(F)CCCCC1 ZINC001571268329 945594131 /nfs/dbraw/zinc/59/41/31/945594131.db2.gz DBRSKGNLJAIBMH-XBFCOCLRSA-N -1 1 386.435 1.555 20 0 GDADMM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1)C1(F)CCCCC1 ZINC001571268329 945594139 /nfs/dbraw/zinc/59/41/39/945594139.db2.gz DBRSKGNLJAIBMH-XBFCOCLRSA-N -1 1 386.435 1.555 20 0 GDADMM O=C(N1CCC[C@H]2[C@@H]1CCN2c1nccnc1-c1nnn[n-]1)C1(F)CCCC1 ZINC001571268406 945594918 /nfs/dbraw/zinc/59/49/18/945594918.db2.gz FXPDCGIGCBNACF-STQMWFEESA-N -1 1 386.435 1.509 20 0 GDADMM O=C(N1CCC[C@H]2[C@@H]1CCN2c1nccnc1-c1nn[n-]n1)C1(F)CCCC1 ZINC001571268406 945594925 /nfs/dbraw/zinc/59/49/25/945594925.db2.gz FXPDCGIGCBNACF-STQMWFEESA-N -1 1 386.435 1.509 20 0 GDADMM C[C@@H]1CN(C(=O)COc2ccsc2)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571269834 945624629 /nfs/dbraw/zinc/62/46/29/945624629.db2.gz DRZXQRCMRVZZHN-MFKMUULPSA-N -1 1 386.441 1.056 20 0 GDADMM C[C@@H]1CN(C(=O)COc2ccsc2)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571269834 945624634 /nfs/dbraw/zinc/62/46/34/945624634.db2.gz DRZXQRCMRVZZHN-MFKMUULPSA-N -1 1 386.441 1.056 20 0 GDADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC001571269928 945628120 /nfs/dbraw/zinc/62/81/20/945628120.db2.gz IADHWPRCDXKLNP-MFKMUULPSA-N -1 1 386.437 1.939 20 0 GDADMM O=C(C[C@@H]1CCCO1)N[C@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001571272452 945664106 /nfs/dbraw/zinc/66/41/06/945664106.db2.gz FDVRZDMMHKHXEB-IHRRRGAJSA-N -1 1 386.460 1.313 20 0 GDADMM O=C(C[C@@H]1CCCO1)N[C@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001571272452 945664111 /nfs/dbraw/zinc/66/41/11/945664111.db2.gz FDVRZDMMHKHXEB-IHRRRGAJSA-N -1 1 386.460 1.313 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCN(C(=O)CC3CCOCC3)C2)n1 ZINC001571272915 945673753 /nfs/dbraw/zinc/67/37/53/945673753.db2.gz KXHDJPBAFMDRCN-CQSZACIVSA-N -1 1 386.460 1.042 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCN(C(=O)CC3CCOCC3)C2)n1 ZINC001571272915 945673756 /nfs/dbraw/zinc/67/37/56/945673756.db2.gz KXHDJPBAFMDRCN-CQSZACIVSA-N -1 1 386.460 1.042 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCC[C@H]2NC(=O)[C@@]2(C)CCOC2)n1 ZINC001571273072 945677556 /nfs/dbraw/zinc/67/75/56/945677556.db2.gz OLNBNJVVQFVLSX-VFVRVIDISA-N -1 1 386.460 1.231 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCC[C@H]2NC(=O)[C@@]2(C)CCOC2)n1 ZINC001571273072 945677565 /nfs/dbraw/zinc/67/75/65/945677565.db2.gz OLNBNJVVQFVLSX-VFVRVIDISA-N -1 1 386.460 1.231 20 0 GDADMM COC1CCC(C(=O)N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001571273374 945686244 /nfs/dbraw/zinc/68/62/44/945686244.db2.gz WLZNLPYSKVDHHZ-ROKHWSDSSA-N -1 1 386.460 1.265 20 0 GDADMM COC1CCC(C(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001571273374 945686253 /nfs/dbraw/zinc/68/62/53/945686253.db2.gz WLZNLPYSKVDHHZ-ROKHWSDSSA-N -1 1 386.460 1.265 20 0 GDADMM O=C(C1CCC(O)CC1)N1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571273437 945688281 /nfs/dbraw/zinc/68/82/81/945688281.db2.gz XMOMRSCPRCIUQT-ROKHWSDSSA-N -1 1 386.460 1.001 20 0 GDADMM O=C(C1CCC(O)CC1)N1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571273437 945688286 /nfs/dbraw/zinc/68/82/86/945688286.db2.gz XMOMRSCPRCIUQT-ROKHWSDSSA-N -1 1 386.460 1.001 20 0 GDADMM C[C@@H]1CN(C(=O)C[C@H]2CCCCO2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571273534 945690990 /nfs/dbraw/zinc/69/09/90/945690990.db2.gz ZHPKFXTWQYQANT-MGPQQGTHSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H]1CN(C(=O)C[C@H]2CCCCO2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571273534 945690997 /nfs/dbraw/zinc/69/09/97/945690997.db2.gz ZHPKFXTWQYQANT-MGPQQGTHSA-N -1 1 386.460 1.122 20 0 GDADMM CCOc1ccccc1N1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC1 ZINC000821437224 945695858 /nfs/dbraw/zinc/69/58/58/945695858.db2.gz LYIPABGQJYINAW-UHFFFAOYSA-N -1 1 397.443 1.353 20 0 GDADMM CCOc1ccccc1N1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC1 ZINC000821437224 945695862 /nfs/dbraw/zinc/69/58/62/945695862.db2.gz LYIPABGQJYINAW-UHFFFAOYSA-N -1 1 397.443 1.353 20 0 GDADMM C[C@H]1CN(C(=O)COC2CCCC2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571275825 945716513 /nfs/dbraw/zinc/71/65/13/945716513.db2.gz DAIVCPKZABZLAG-QWHCGFSZSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H]1CN(C(=O)COC2CCCC2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571275825 945716519 /nfs/dbraw/zinc/71/65/19/945716519.db2.gz DAIVCPKZABZLAG-QWHCGFSZSA-N -1 1 386.460 1.122 20 0 GDADMM CCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCN(C(=O)[C@H]2CCO[C@H]2C)CC1 ZINC001571276577 945732684 /nfs/dbraw/zinc/73/26/84/945732684.db2.gz ITTHRSOOHXZTBT-STQMWFEESA-N -1 1 386.460 1.265 20 0 GDADMM CCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCN(C(=O)[C@H]2CCO[C@H]2C)CC1 ZINC001571276577 945732694 /nfs/dbraw/zinc/73/26/94/945732694.db2.gz ITTHRSOOHXZTBT-STQMWFEESA-N -1 1 386.460 1.265 20 0 GDADMM COC(=O)[C@H](c1cccc(OC)c1)N(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001571276713 945736617 /nfs/dbraw/zinc/73/66/17/945736617.db2.gz JVTWPYGCBYAZAX-AWEZNQCLSA-N -1 1 387.421 1.923 20 0 GDADMM COC(=O)[C@H](c1cccc(OC)c1)N(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001571276713 945736623 /nfs/dbraw/zinc/73/66/23/945736623.db2.gz JVTWPYGCBYAZAX-AWEZNQCLSA-N -1 1 387.421 1.923 20 0 GDADMM CC1(C(=O)N[C@@H]2CCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)CCOCC1 ZINC001571277639 945744838 /nfs/dbraw/zinc/74/48/38/945744838.db2.gz MQHSZJNOHSBEOV-QWHCGFSZSA-N -1 1 386.460 1.170 20 0 GDADMM CC1(C(=O)N[C@@H]2CCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)CCOCC1 ZINC001571277639 945744847 /nfs/dbraw/zinc/74/48/47/945744847.db2.gz MQHSZJNOHSBEOV-QWHCGFSZSA-N -1 1 386.460 1.170 20 0 GDADMM CC[C@@H]1OCC[C@H]1C(=O)N1CC[C@](C)(CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571279654 945784704 /nfs/dbraw/zinc/78/47/04/945784704.db2.gz XRILMLATZNXMKU-UVBSCNOISA-N -1 1 386.460 1.122 20 0 GDADMM CC[C@@H]1OCC[C@H]1C(=O)N1CC[C@](C)(CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571279654 945784710 /nfs/dbraw/zinc/78/47/10/945784710.db2.gz XRILMLATZNXMKU-UVBSCNOISA-N -1 1 386.460 1.122 20 0 GDADMM Cc1nsc(N2CCCN(C(=O)[C@H](C)n3cccn3)CC2)c1-c1nn[n-]n1 ZINC001571280942 945795936 /nfs/dbraw/zinc/79/59/36/945795936.db2.gz AALMAYDTQNRKHP-LBPRGKRZSA-N -1 1 387.473 1.128 20 0 GDADMM CCn1cc(C(=O)N[C@H]2C[C@@H](Nc3snc(C)c3-c3nn[n-]n3)C2)c(C)n1 ZINC001571281301 945799804 /nfs/dbraw/zinc/79/98/04/945799804.db2.gz GISCVAGRHQIUIH-PHIMTYICSA-N -1 1 387.473 1.529 20 0 GDADMM Cc1cn(C)nc1C(=O)N1CCC[C@@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001571281649 945809074 /nfs/dbraw/zinc/80/90/74/945809074.db2.gz KRBBDLNDNBOKNH-LLVKDONJSA-N -1 1 387.473 1.390 20 0 GDADMM Cc1c[nH]c(C(=O)N[C@H]2CN(c3snc(C)c3-c3nn[n-]n3)CC2(C)C)n1 ZINC001571282230 945836433 /nfs/dbraw/zinc/83/64/33/945836433.db2.gz VJUILURKGJSQEJ-JTQLQIEISA-N -1 1 387.473 1.308 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@@H](CNC(=O)c3ccc(Cl)[nH]3)C2)n1 ZINC001571283908 945894838 /nfs/dbraw/zinc/89/48/38/945894838.db2.gz KPZBLOOSRBCFFJ-AOOOYVTPSA-N -1 1 387.835 1.567 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@@H](CNC(=O)c3ccc(Cl)[nH]3)C2)n1 ZINC001571283908 945894846 /nfs/dbraw/zinc/89/48/46/945894846.db2.gz KPZBLOOSRBCFFJ-AOOOYVTPSA-N -1 1 387.835 1.567 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)n1 ZINC001571285241 945912706 /nfs/dbraw/zinc/91/27/06/945912706.db2.gz ZVSSHHYHNMPSQY-UHFFFAOYSA-N -1 1 387.835 1.163 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)n1 ZINC001571285241 945912711 /nfs/dbraw/zinc/91/27/11/945912711.db2.gz ZVSSHHYHNMPSQY-UHFFFAOYSA-N -1 1 387.835 1.163 20 0 GDADMM O=C(c1ccc(Cl)[nH]1)N1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571285664 945922985 /nfs/dbraw/zinc/92/29/85/945922985.db2.gz LIJIASAVOHRVHU-JTQLQIEISA-N -1 1 387.835 1.745 20 0 GDADMM O=C(c1ccc(Cl)[nH]1)N1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571285664 945922996 /nfs/dbraw/zinc/92/29/96/945922996.db2.gz LIJIASAVOHRVHU-JTQLQIEISA-N -1 1 387.835 1.745 20 0 GDADMM Cn1cc(Cl)cc1C(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571285721 945924787 /nfs/dbraw/zinc/92/47/87/945924787.db2.gz MHRCZHJCSRKKOB-UHFFFAOYSA-N -1 1 387.835 1.001 20 0 GDADMM C[C@H]1CC[C@@H](NC(=O)c2ccc(F)s2)CN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571286350 945945272 /nfs/dbraw/zinc/94/52/72/945945272.db2.gz FIDGEXNWSXDFBL-VHSXEESVSA-N -1 1 388.432 1.645 20 0 GDADMM C[C@H]1CC[C@@H](NC(=O)c2ccc(F)s2)CN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571286350 945945279 /nfs/dbraw/zinc/94/52/79/945945279.db2.gz FIDGEXNWSXDFBL-VHSXEESVSA-N -1 1 388.432 1.645 20 0 GDADMM COc1ncc(NC(=O)N[C@@H]2CCC[C@@H](C(=O)N(C)C)C2)cc1-c1nn[n-]n1 ZINC001571286492 945950751 /nfs/dbraw/zinc/95/07/51/945950751.db2.gz JIXVGJLXGSZQCP-GHMZBOCLSA-N -1 1 388.432 1.039 20 0 GDADMM O=C(c1ccc(F)s1)N1CCC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571287814 945977158 /nfs/dbraw/zinc/97/71/58/945977158.db2.gz ILFJYAYIHSNADW-SNVBAGLBSA-N -1 1 388.432 1.822 20 0 GDADMM O=C(c1ccc(F)s1)N1CCC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571287814 945977169 /nfs/dbraw/zinc/97/71/69/945977169.db2.gz ILFJYAYIHSNADW-SNVBAGLBSA-N -1 1 388.432 1.822 20 0 GDADMM CC(C)(F)C(=O)N1CCCC[C@@H]1[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571289197 945997139 /nfs/dbraw/zinc/99/71/39/945997139.db2.gz WZDZLYHRUYOIKQ-UONOGXRCSA-N -1 1 388.451 1.755 20 0 GDADMM CC(C)(F)C(=O)N1CCCC[C@@H]1[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571289197 945997149 /nfs/dbraw/zinc/99/71/49/945997149.db2.gz WZDZLYHRUYOIKQ-UONOGXRCSA-N -1 1 388.451 1.755 20 0 GDADMM CCc1nc(NC[C@@H]2CN(C(=O)C(C)(C)CC)CCO2)cc(-c2nnn[n-]2)n1 ZINC001571289733 946015748 /nfs/dbraw/zinc/01/57/48/946015748.db2.gz LIQNRVURLNCZQQ-GFCCVEGCSA-N -1 1 388.476 1.295 20 0 GDADMM CCc1nc(NC[C@@H]2CN(C(=O)C(C)(C)CC)CCO2)cc(-c2nn[n-]n2)n1 ZINC001571289733 946015759 /nfs/dbraw/zinc/01/57/59/946015759.db2.gz LIQNRVURLNCZQQ-GFCCVEGCSA-N -1 1 388.476 1.295 20 0 GDADMM CCc1ocnc1C(=O)N1CCC[C@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001571289817 946020346 /nfs/dbraw/zinc/02/03/46/946020346.db2.gz NDGYDFVEBWNJLI-JTQLQIEISA-N -1 1 388.457 1.899 20 0 GDADMM Cc1nsc(N[C@H](C)C2CCN(C(=O)c3cn[nH]n3)CC2)c1-c1nn[n-]n1 ZINC001571290178 946033113 /nfs/dbraw/zinc/03/31/13/946033113.db2.gz WXROZMITTIKEST-MRVPVSSYSA-N -1 1 388.461 1.103 20 0 GDADMM CCc1cc(C(=O)N[C@@H]2CCCN(c3snc(C)c3-c3nn[n-]n3)C2)no1 ZINC001571290235 946035057 /nfs/dbraw/zinc/03/50/57/946035057.db2.gz YGJPGZWPALBOBO-SNVBAGLBSA-N -1 1 388.457 1.581 20 0 GDADMM O=C(N[C@H]1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccoc1Cl ZINC001571290444 946042957 /nfs/dbraw/zinc/04/29/57/946042957.db2.gz FFOXHTRAZFPERN-ZJUUUORDSA-N -1 1 388.819 1.478 20 0 GDADMM Cc1cc(NC(=O)CNc2ncncc2-c2nn[n-]n2)ccc1Br ZINC001571291006 946063283 /nfs/dbraw/zinc/06/32/83/946063283.db2.gz XUAJTTPAKQVIMM-UHFFFAOYSA-N -1 1 389.217 1.778 20 0 GDADMM CC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(C)c1-c1nn[nH]n1)c1ccccc1F ZINC001571291417 946076513 /nfs/dbraw/zinc/07/65/13/946076513.db2.gz JJRKJGKJNJOYNP-MRXNPFEDSA-N -1 1 389.412 1.923 20 0 GDADMM Cc1nsc(N(C)C[C@H]2CCN(C(=O)CC(F)(F)F)C2)c1-c1nn[n-]n1 ZINC001571291573 946077343 /nfs/dbraw/zinc/07/73/43/946077343.db2.gz LMCFYVWTUCEWBS-SECBINFHSA-N -1 1 389.407 1.869 20 0 GDADMM Cc1cc(C(F)F)oc1C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571294268 946129957 /nfs/dbraw/zinc/12/99/57/946129957.db2.gz CVNFRXFGEHESGM-SECBINFHSA-N -1 1 390.354 1.504 20 0 GDADMM Cc1cc(C(F)F)oc1C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571294268 946129964 /nfs/dbraw/zinc/12/99/64/946129964.db2.gz CVNFRXFGEHESGM-SECBINFHSA-N -1 1 390.354 1.504 20 0 GDADMM CN(C(=O)[C@H]1CC1(F)F)[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571294978 946150483 /nfs/dbraw/zinc/15/04/83/946150483.db2.gz RJUMSJMNELGPHN-RNFRBKRXSA-N -1 1 389.819 1.669 20 0 GDADMM COc1cc(C(=O)N2CC[C@@H](Nc3snc(C)c3-c3nn[n-]n3)[C@H]2C)on1 ZINC001571295891 946177906 /nfs/dbraw/zinc/17/79/06/946177906.db2.gz IOWKPOIRUCTOKI-RKDXNWHRSA-N -1 1 390.429 1.343 20 0 GDADMM O=C(NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)c1ccc(C2CC2)cc1 ZINC001571297989 946204759 /nfs/dbraw/zinc/20/47/59/946204759.db2.gz GLISYJVRDBJJDU-INIZCTEOSA-N -1 1 390.451 1.933 20 0 GDADMM O=C(NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)c1ccc(C2CC2)cc1 ZINC001571297989 946204768 /nfs/dbraw/zinc/20/47/68/946204768.db2.gz GLISYJVRDBJJDU-INIZCTEOSA-N -1 1 390.451 1.933 20 0 GDADMM Cc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[n-]n3)n2)c1C ZINC001571298610 946221105 /nfs/dbraw/zinc/22/11/05/946221105.db2.gz HQVUJRIJUKQCNG-BMFZPTHFSA-N -1 1 390.451 1.813 20 0 GDADMM C[C@@H]1CN(C(=O)C2Cc3ccccc3C2)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571298563 946222421 /nfs/dbraw/zinc/22/24/21/946222421.db2.gz HBAFXIMWJIQVSY-PXAZEXFGSA-N -1 1 390.451 1.331 20 0 GDADMM C[C@@H]1CN(C(=O)C2Cc3ccccc3C2)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571298563 946222426 /nfs/dbraw/zinc/22/24/26/946222426.db2.gz HBAFXIMWJIQVSY-PXAZEXFGSA-N -1 1 390.451 1.331 20 0 GDADMM C[C@@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)c1csc(Cl)c1 ZINC001571298609 946222507 /nfs/dbraw/zinc/22/25/07/946222507.db2.gz BNNWPVVVNZPBFF-SCZZXKLOSA-N -1 1 390.860 1.509 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1)c1ccccn1 ZINC001571298765 946228274 /nfs/dbraw/zinc/22/82/74/946228274.db2.gz DFIYGNCNKGZVCA-DTORHVGOSA-N -1 1 390.860 1.992 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1c(Cl)n[nH]c1C1CC1 ZINC001571299019 946235444 /nfs/dbraw/zinc/23/54/44/946235444.db2.gz HAATYTACSGYPTQ-UHFFFAOYSA-N -1 1 390.839 1.131 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCCN2C(=O)[C@@H]2Cc3ccccc32)n1 ZINC001571299242 946242464 /nfs/dbraw/zinc/24/24/64/946242464.db2.gz PPIQKHYEILGXQL-GDBMZVCRSA-N -1 1 390.451 1.708 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCCN2C(=O)[C@@H]2Cc3ccccc32)n1 ZINC001571299242 946242467 /nfs/dbraw/zinc/24/24/67/946242467.db2.gz PPIQKHYEILGXQL-GDBMZVCRSA-N -1 1 390.451 1.708 20 0 GDADMM O=C(CCn1cnc2sccc2c1=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822987338 946248418 /nfs/dbraw/zinc/24/84/18/946248418.db2.gz VSUYTWJZBDTSLL-UHFFFAOYSA-N -1 1 383.393 1.373 20 0 GDADMM CC(=O)N[C@@H]1C[C@@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)Oc2ccccc21 ZINC001573493009 946296243 /nfs/dbraw/zinc/29/62/43/946296243.db2.gz FTPBHFBQZZFEIZ-AUUYWEPGSA-N -1 1 392.423 1.266 20 0 GDADMM COc1ncc(NC(=O)N[C@@H](C(=O)OC(C)(C)C)C(C)C)cc1-c1nn[n-]n1 ZINC001571302797 946314920 /nfs/dbraw/zinc/31/49/20/946314920.db2.gz CNRJTRGTNBIINV-GFCCVEGCSA-N -1 1 391.432 1.758 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccnc(C2CC2)c1 ZINC001571302842 946315886 /nfs/dbraw/zinc/31/58/86/946315886.db2.gz HJZMJRRILIMUJN-AWEZNQCLSA-N -1 1 391.439 1.328 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccnc(C2CC2)c1 ZINC001571302842 946315895 /nfs/dbraw/zinc/31/58/95/946315895.db2.gz HJZMJRRILIMUJN-AWEZNQCLSA-N -1 1 391.439 1.328 20 0 GDADMM Cc1cncc(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C23CCC3)c1 ZINC001571302894 946318233 /nfs/dbraw/zinc/31/82/33/946318233.db2.gz IODWGDAAICDCPA-GJZGRUSLSA-N -1 1 391.439 1.513 20 0 GDADMM Cc1cncc(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C23CCC3)c1 ZINC001571302894 946318244 /nfs/dbraw/zinc/31/82/44/946318244.db2.gz IODWGDAAICDCPA-GJZGRUSLSA-N -1 1 391.439 1.513 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H]3C[C@H]2CN3C(=O)c2ncccc2C)n1 ZINC001571303482 946336096 /nfs/dbraw/zinc/33/60/96/946336096.db2.gz LYNOWBMHVMFJGY-STQMWFEESA-N -1 1 391.439 1.026 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H]3C[C@H]2CN3C(=O)c2ncccc2C)n1 ZINC001571303482 946336109 /nfs/dbraw/zinc/33/61/09/946336109.db2.gz LYNOWBMHVMFJGY-STQMWFEESA-N -1 1 391.439 1.026 20 0 GDADMM O=C([C@H]1CCCc2cccnc21)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571303653 946343689 /nfs/dbraw/zinc/34/36/89/946343689.db2.gz VDXNHSLXBBQIIJ-KBPBESRZSA-N -1 1 391.439 1.185 20 0 GDADMM O=C([C@H]1CCCc2cccnc21)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571303653 946343697 /nfs/dbraw/zinc/34/36/97/946343697.db2.gz VDXNHSLXBBQIIJ-KBPBESRZSA-N -1 1 391.439 1.185 20 0 GDADMM O=C(c1ccccn1)N1CCC[C@H]2CN(c3nccnc3-c3nnn[n-]3)CC[C@@H]21 ZINC001571303742 946348368 /nfs/dbraw/zinc/34/83/68/946348368.db2.gz WYNAITWLBNKPDP-ZFWWWQNUSA-N -1 1 391.439 1.183 20 0 GDADMM O=C(c1ccccn1)N1CCC[C@H]2CN(c3nccnc3-c3nn[n-]n3)CC[C@@H]21 ZINC001571303742 946348382 /nfs/dbraw/zinc/34/83/82/946348382.db2.gz WYNAITWLBNKPDP-ZFWWWQNUSA-N -1 1 391.439 1.183 20 0 GDADMM Cc1cnccc1C(=O)N[C@@]12CCC[C@@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001571303838 946349946 /nfs/dbraw/zinc/34/99/46/946349946.db2.gz ZCPPWQWTGXHICN-HNAYVOBHSA-N -1 1 391.439 1.292 20 0 GDADMM Cc1cnccc1C(=O)N[C@@]12CCC[C@@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001571303838 946349958 /nfs/dbraw/zinc/34/99/58/946349958.db2.gz ZCPPWQWTGXHICN-HNAYVOBHSA-N -1 1 391.439 1.292 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)[C@@H]1C[C@H]1c1ccncc1 ZINC001571303841 946350658 /nfs/dbraw/zinc/35/06/58/946350658.db2.gz ZDQCFCZFBSVADG-CYUUQNCZSA-N -1 1 391.439 1.162 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)[C@@H]1C[C@H]1c1ccncc1 ZINC001571303841 946350674 /nfs/dbraw/zinc/35/06/74/946350674.db2.gz ZDQCFCZFBSVADG-CYUUQNCZSA-N -1 1 391.439 1.162 20 0 GDADMM CN1CCN(S(=O)(=O)c2cccnc2-c2nn[n-]n2)c2ccc(Cl)cc21 ZINC001571305406 946360867 /nfs/dbraw/zinc/36/08/67/946360867.db2.gz ALVPGDOOQBNRIQ-UHFFFAOYSA-N -1 1 391.844 1.560 20 0 GDADMM CC[C@@H]1C[C@H]1C(=O)N1CCCO[C@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571305473 946365186 /nfs/dbraw/zinc/36/51/86/946365186.db2.gz CCKLRCWTAXQIOG-JHJVBQTASA-N -1 1 391.501 1.707 20 0 GDADMM Cc1nsc(N2CCC(C)(NC(=O)[C@@H]3C[C@H](C)CO3)CC2)c1-c1nn[n-]n1 ZINC001571305582 946366521 /nfs/dbraw/zinc/36/65/21/946366521.db2.gz GDYMEDBPEUHNGK-JQWIXIFHSA-N -1 1 391.501 1.532 20 0 GDADMM C[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)CN1C(=O)c1csc(Cl)n1 ZINC001571305578 946366973 /nfs/dbraw/zinc/36/69/73/946366973.db2.gz GDEPXSVPKAJHCS-JGVFFNPUSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)CN1C(=O)c1csc(Cl)n1 ZINC001571305578 946366987 /nfs/dbraw/zinc/36/69/87/946366987.db2.gz GDEPXSVPKAJHCS-JGVFFNPUSA-N -1 1 391.848 1.482 20 0 GDADMM Cc1nnsc1C(=O)N1CC[C@@H](N(C)c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571305525 946368128 /nfs/dbraw/zinc/36/81/28/946368128.db2.gz DDPSPGDSIBSDMV-SECBINFHSA-N -1 1 391.486 1.142 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)C2CC(OC)C2)CCN1c1snc(C)c1-c1nn[n-]n1 ZINC001571305639 946370141 /nfs/dbraw/zinc/37/01/41/946370141.db2.gz IEXWGSHNIVKPAU-IFWUJCSASA-N -1 1 391.501 1.530 20 0 GDADMM Cc1nsc(NC[C@H]2C[C@H](NC(=O)[C@]3(C)CCCOC3)C2)c1-c1nn[n-]n1 ZINC001571306066 946386009 /nfs/dbraw/zinc/38/60/09/946386009.db2.gz OWTNDKRSTONXOZ-PSTGCABASA-N -1 1 391.501 1.755 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1scnc1Cl ZINC001571306546 946401529 /nfs/dbraw/zinc/40/15/29/946401529.db2.gz XCPJCTFMVMLZMW-SFYZADRCSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1scnc1Cl ZINC001571306546 946401538 /nfs/dbraw/zinc/40/15/38/946401538.db2.gz XCPJCTFMVMLZMW-SFYZADRCSA-N -1 1 391.848 1.482 20 0 GDADMM CCN(C(=O)c1csnn1)[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571306516 946402559 /nfs/dbraw/zinc/40/25/59/946402559.db2.gz WGVOGHHMECLBRK-SECBINFHSA-N -1 1 391.486 1.224 20 0 GDADMM C[C@@H]1CCN(C(=O)[C@@H]2CCC2(F)F)[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571308364 946431311 /nfs/dbraw/zinc/43/13/11/946431311.db2.gz PDNOEWJDKHCMFO-WOPDTQHZSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H]1CCN(C(=O)[C@@H]2CCC2(F)F)[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571308364 946431317 /nfs/dbraw/zinc/43/13/17/946431317.db2.gz PDNOEWJDKHCMFO-WOPDTQHZSA-N -1 1 392.414 1.741 20 0 GDADMM O=C(C1CCC(F)(F)CC1)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571308416 946433748 /nfs/dbraw/zinc/43/37/48/946433748.db2.gz PWEWQPBKVGHXNX-LBPRGKRZSA-N -1 1 392.414 1.885 20 0 GDADMM O=C(C1CCC(F)(F)CC1)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571308416 946433754 /nfs/dbraw/zinc/43/37/54/946433754.db2.gz PWEWQPBKVGHXNX-LBPRGKRZSA-N -1 1 392.414 1.885 20 0 GDADMM COc1cc(F)c(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c(F)c1 ZINC001571308906 946436996 /nfs/dbraw/zinc/43/69/96/946436996.db2.gz VETMYWXONSIWMF-UHFFFAOYSA-N -1 1 392.370 1.164 20 0 GDADMM COc1cc(F)c(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c(F)c1 ZINC001571308906 946437003 /nfs/dbraw/zinc/43/70/03/946437003.db2.gz VETMYWXONSIWMF-UHFFFAOYSA-N -1 1 392.370 1.164 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCCN(C(=O)C3CC(F)(F)C3)C2)n1 ZINC001571308886 946437222 /nfs/dbraw/zinc/43/72/22/946437222.db2.gz UJBTYFBTWRLLCB-NSHDSACASA-N -1 1 392.414 1.661 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCCN(C(=O)C3CC(F)(F)C3)C2)n1 ZINC001571308886 946437229 /nfs/dbraw/zinc/43/72/29/946437229.db2.gz UJBTYFBTWRLLCB-NSHDSACASA-N -1 1 392.414 1.661 20 0 GDADMM CCc1nc(NC[C@@]2(C)CCN(C(=O)[C@@H]3CC3(F)F)C2)cc(-c2nnn[n-]2)n1 ZINC001571309360 946442426 /nfs/dbraw/zinc/44/24/26/946442426.db2.gz YHFKQBOBAVGRCH-MGPLVRAMSA-N -1 1 392.414 1.525 20 0 GDADMM CCc1nc(NC[C@@]2(C)CCN(C(=O)[C@@H]3CC3(F)F)C2)cc(-c2nn[n-]n2)n1 ZINC001571309360 946442435 /nfs/dbraw/zinc/44/24/35/946442435.db2.gz YHFKQBOBAVGRCH-MGPLVRAMSA-N -1 1 392.414 1.525 20 0 GDADMM O=C(NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)[C@H]1CCCC(F)(F)C1 ZINC001571309479 946445088 /nfs/dbraw/zinc/44/50/88/946445088.db2.gz BDXXGCWPRLILSS-NSHDSACASA-N -1 1 392.414 1.567 20 0 GDADMM O=S(=O)(C1CC1)N1CCC(Nc2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000823556918 946445234 /nfs/dbraw/zinc/44/52/34/946445234.db2.gz BNFDZFBRIKCCHE-UHFFFAOYSA-N -1 1 399.480 1.783 20 0 GDADMM O=S(=O)(C1CC1)N1CCC(Nc2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000823556918 946445240 /nfs/dbraw/zinc/44/52/40/946445240.db2.gz BNFDZFBRIKCCHE-UHFFFAOYSA-N -1 1 399.480 1.783 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)[C@H]1CCCC(F)(F)C1 ZINC001571309475 946445252 /nfs/dbraw/zinc/44/52/52/946445252.db2.gz BCFPDLMLKTUXSF-RYUDHWBXSA-N -1 1 392.414 1.567 20 0 GDADMM O=S1(=O)CCc2cc(CNc3c4ccccc4nnc3-c3nnn[n-]3)ccc21 ZINC000823612590 946452590 /nfs/dbraw/zinc/45/25/90/946452590.db2.gz BTDPLMDRZVRKFB-UHFFFAOYSA-N -1 1 393.432 1.752 20 0 GDADMM O=S1(=O)CCc2cc(CNc3c4ccccc4nnc3-c3nn[n-]n3)ccc21 ZINC000823612590 946452598 /nfs/dbraw/zinc/45/25/98/946452598.db2.gz BTDPLMDRZVRKFB-UHFFFAOYSA-N -1 1 393.432 1.752 20 0 GDADMM O=C(C[C@@H]1CCC(F)(F)C1)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571310006 946458759 /nfs/dbraw/zinc/45/87/59/946458759.db2.gz RSCHVCUGJDQVGA-NWDGAFQWSA-N -1 1 392.414 1.885 20 0 GDADMM O=C(C[C@@H]1CCC(F)(F)C1)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571310006 946458765 /nfs/dbraw/zinc/45/87/65/946458765.db2.gz RSCHVCUGJDQVGA-NWDGAFQWSA-N -1 1 392.414 1.885 20 0 GDADMM O=C([C@H]1COc2ccccc21)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571310122 946462337 /nfs/dbraw/zinc/46/23/37/946462337.db2.gz VXIYOAVKVNDCMQ-OCCSQVGLSA-N -1 1 392.423 1.236 20 0 GDADMM O=C([C@H]1COc2ccccc21)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571310122 946462344 /nfs/dbraw/zinc/46/23/44/946462344.db2.gz VXIYOAVKVNDCMQ-OCCSQVGLSA-N -1 1 392.423 1.236 20 0 GDADMM CCc1ccccc1CC(=O)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571312994 946507592 /nfs/dbraw/zinc/50/75/92/946507592.db2.gz HFHDXTQXOIVFPL-MRXNPFEDSA-N -1 1 392.467 1.865 20 0 GDADMM CCc1ccccc1CC(=O)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571312994 946507606 /nfs/dbraw/zinc/50/76/06/946507606.db2.gz HFHDXTQXOIVFPL-MRXNPFEDSA-N -1 1 392.467 1.865 20 0 GDADMM CCc1ccccc1CC(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)[C@@H](C)C1 ZINC001571312986 946508341 /nfs/dbraw/zinc/50/83/41/946508341.db2.gz GVXBBVORUGOPBB-GUYCJALGSA-N -1 1 392.467 1.721 20 0 GDADMM CCc1ccccc1CC(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)[C@@H](C)C1 ZINC001571312986 946508349 /nfs/dbraw/zinc/50/83/49/946508349.db2.gz GVXBBVORUGOPBB-GUYCJALGSA-N -1 1 392.467 1.721 20 0 GDADMM CC(=Cc1ccc(C)cc1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000823942955 946524528 /nfs/dbraw/zinc/52/45/28/946524528.db2.gz LUQSDOAATJKMRZ-QBFSEMIESA-N -1 1 380.456 1.975 20 0 GDADMM CC(=Cc1ccc(C)cc1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000823942955 946524534 /nfs/dbraw/zinc/52/45/34/946524534.db2.gz LUQSDOAATJKMRZ-QBFSEMIESA-N -1 1 380.456 1.975 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)Cc3ccccc3)[C@@H](C)C2)n1 ZINC001571314688 946543198 /nfs/dbraw/zinc/54/31/98/946543198.db2.gz ADJHQOOJEHHADZ-HOCLYGCPSA-N -1 1 392.467 1.999 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)Cc3ccccc3)[C@@H](C)C2)n1 ZINC001571314688 946543205 /nfs/dbraw/zinc/54/32/05/946543205.db2.gz ADJHQOOJEHHADZ-HOCLYGCPSA-N -1 1 392.467 1.999 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NCC[C@@H]2CCN(C(=O)Cc3ccccc3)C2)n1 ZINC001571315005 946547977 /nfs/dbraw/zinc/54/79/77/946547977.db2.gz GHFYISDXOKOAJJ-MRXNPFEDSA-N -1 1 392.467 1.858 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NCC[C@@H]2CCN(C(=O)Cc3ccccc3)C2)n1 ZINC001571315005 946547989 /nfs/dbraw/zinc/54/79/89/946547989.db2.gz GHFYISDXOKOAJJ-MRXNPFEDSA-N -1 1 392.467 1.858 20 0 GDADMM Cc1ccccc1CCC(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571316735 946588013 /nfs/dbraw/zinc/58/80/13/946588013.db2.gz KZMQEAFMWCTRES-MRXNPFEDSA-N -1 1 392.467 1.635 20 0 GDADMM Brc1ccccc1Cc1nnn(Cc2ccc(-c3nnn[n-]3)o2)n1 ZINC001573279182 946633565 /nfs/dbraw/zinc/63/35/65/946633565.db2.gz DZAFLPIMBJQWLD-UHFFFAOYSA-N -1 1 387.201 1.848 20 0 GDADMM Brc1ccccc1Cc1nnn(Cc2ccc(-c3nn[n-]n3)o2)n1 ZINC001573279182 946633568 /nfs/dbraw/zinc/63/35/68/946633568.db2.gz DZAFLPIMBJQWLD-UHFFFAOYSA-N -1 1 387.201 1.848 20 0 GDADMM CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC[C@@H]1c1ccc(F)cc1 ZINC001573538284 946767286 /nfs/dbraw/zinc/76/72/86/946767286.db2.gz SJFVAVAAKKTJCK-GDBMZVCRSA-N -1 1 382.403 1.294 20 0 GDADMM CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC[C@@H]1c1ccc(F)cc1 ZINC001573538284 946767294 /nfs/dbraw/zinc/76/72/94/946767294.db2.gz SJFVAVAAKKTJCK-GDBMZVCRSA-N -1 1 382.403 1.294 20 0 GDADMM CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC001573546545 946811056 /nfs/dbraw/zinc/81/10/56/946811056.db2.gz DJZOAGJQSSOKTO-VIFPVBQESA-N -1 1 386.441 1.678 20 0 GDADMM CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC001573546545 946811068 /nfs/dbraw/zinc/81/10/68/946811068.db2.gz DJZOAGJQSSOKTO-VIFPVBQESA-N -1 1 386.441 1.678 20 0 GDADMM CCCNC(=O)C1(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)CCCCC1 ZINC000825326867 947153515 /nfs/dbraw/zinc/15/35/15/947153515.db2.gz GUZNMDKAEBTABG-UHFFFAOYSA-N -1 1 375.433 1.051 20 0 GDADMM CCCNC(=O)C1(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)CCCCC1 ZINC000825326867 947153525 /nfs/dbraw/zinc/15/35/25/947153525.db2.gz GUZNMDKAEBTABG-UHFFFAOYSA-N -1 1 375.433 1.051 20 0 GDADMM CNS(=O)(=O)c1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000326917444 971344580 /nfs/dbraw/zinc/34/45/80/971344580.db2.gz QGAIRRHYWJBQCY-UHFFFAOYSA-N -1 1 384.435 1.402 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)N2CCC[C@@H]3CCCC[C@H]32)c1-c1nn[n-]n1 ZINC000825565204 947223699 /nfs/dbraw/zinc/22/36/99/947223699.db2.gz NXLKWHXHDPJUHK-GXTWGEPZSA-N -1 1 387.444 1.421 20 0 GDADMM C=C/C(C)=C\CC(=O)N1CCCC[C@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001573315684 947257747 /nfs/dbraw/zinc/25/77/47/947257747.db2.gz DNHPCUSVGNRSDC-OWTLUSIOSA-N -1 1 382.472 1.996 20 0 GDADMM C=C/C(C)=C\CC(=O)N1CCCC[C@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001573315684 947257760 /nfs/dbraw/zinc/25/77/60/947257760.db2.gz DNHPCUSVGNRSDC-OWTLUSIOSA-N -1 1 382.472 1.996 20 0 GDADMM C[C@H](C(=O)N(C)C1CCN(c2nccnc2-c2nnn[n-]2)CC1)C1CCCC1 ZINC001573593025 947359067 /nfs/dbraw/zinc/35/90/67/947359067.db2.gz PNERGZSLHXKBGB-ZDUSSCGKSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](C(=O)N(C)C1CCN(c2nccnc2-c2nn[n-]n2)CC1)C1CCCC1 ZINC001573593025 947359077 /nfs/dbraw/zinc/35/90/77/947359077.db2.gz PNERGZSLHXKBGB-ZDUSSCGKSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](C(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nn1)c1ccccc1F ZINC001573603320 947484558 /nfs/dbraw/zinc/48/45/58/947484558.db2.gz KDQHPLWRWRLCII-LBPRGKRZSA-N -1 1 384.419 1.494 20 0 GDADMM C[C@H](C(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nn1)c1ccccc1F ZINC001573603320 947484569 /nfs/dbraw/zinc/48/45/69/947484569.db2.gz KDQHPLWRWRLCII-LBPRGKRZSA-N -1 1 384.419 1.494 20 0 GDADMM C[C@@H](C(=O)N(C)CCN(C)c1ccnc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001573605128 947525596 /nfs/dbraw/zinc/52/55/96/947525596.db2.gz YPFOUIYWZPQRJY-GFCCVEGCSA-N -1 1 384.419 1.494 20 0 GDADMM CC(C)N(CCN(C)c1ccc(-c2nnn[n-]2)nn1)C(=O)[C@H](C)c1ccco1 ZINC001573605317 947530498 /nfs/dbraw/zinc/53/04/98/947530498.db2.gz VMNNTXZCUIGLNH-CYBMUJFWSA-N -1 1 384.444 1.727 20 0 GDADMM CC(C)N(CCN(C)c1ccc(-c2nn[n-]n2)nn1)C(=O)[C@H](C)c1ccco1 ZINC001573605317 947530508 /nfs/dbraw/zinc/53/05/08/947530508.db2.gz VMNNTXZCUIGLNH-CYBMUJFWSA-N -1 1 384.444 1.727 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)C(C)(F)F ZINC001573613498 947562714 /nfs/dbraw/zinc/56/27/14/947562714.db2.gz BGWTZWXPUNWLMY-GARJFASQSA-N -1 1 378.387 1.128 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)C(C)(F)F ZINC001573613498 947562718 /nfs/dbraw/zinc/56/27/18/947562718.db2.gz BGWTZWXPUNWLMY-GARJFASQSA-N -1 1 378.387 1.128 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1)C1CCCC1 ZINC001573614002 947576188 /nfs/dbraw/zinc/57/61/88/947576188.db2.gz KFOKZKNZTYHYHH-AEGPPILISA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1)C1CCCC1 ZINC001573614002 947576194 /nfs/dbraw/zinc/57/61/94/947576194.db2.gz KFOKZKNZTYHYHH-AEGPPILISA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H](C(=O)N1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1)n1cccc1 ZINC001573614292 947579959 /nfs/dbraw/zinc/57/99/59/947579959.db2.gz LOHCODGVKGKNBO-JSGCOSHPSA-N -1 1 381.444 1.368 20 0 GDADMM C[C@@H](C(=O)N1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C1)n1cccc1 ZINC001573614292 947579966 /nfs/dbraw/zinc/57/99/66/947579966.db2.gz LOHCODGVKGKNBO-JSGCOSHPSA-N -1 1 381.444 1.368 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CN(C)c2nccnc2-c2nnn[n-]2)C1)C(C)(F)F ZINC001573614368 947584213 /nfs/dbraw/zinc/58/42/13/947584213.db2.gz DPXVNLWUSUKNFC-MNOVXSKESA-N -1 1 380.403 1.233 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CN(C)c2nccnc2-c2nn[n-]n2)C1)C(C)(F)F ZINC001573614368 947584219 /nfs/dbraw/zinc/58/42/19/947584219.db2.gz DPXVNLWUSUKNFC-MNOVXSKESA-N -1 1 380.403 1.233 20 0 GDADMM C[C@@H](C(=O)N1CCC(N(C)c2cnc(-c3nnn[n-]3)cn2)CC1)C(F)(F)F ZINC001573615266 947602725 /nfs/dbraw/zinc/60/27/25/947602725.db2.gz CVRXYVMYCWTSGK-VIFPVBQESA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H](C(=O)N1CCC(N(C)c2cnc(-c3nn[n-]n3)cn2)CC1)C(F)(F)F ZINC001573615266 947602733 /nfs/dbraw/zinc/60/27/33/947602733.db2.gz CVRXYVMYCWTSGK-VIFPVBQESA-N -1 1 384.366 1.282 20 0 GDADMM COc1ccc(Cn2nccc2NC(=O)Cc2noc(C)c2-c2nnn[n-]2)cc1 ZINC000826208412 947608316 /nfs/dbraw/zinc/60/83/16/947608316.db2.gz JDSXCOOWHCRWIV-UHFFFAOYSA-N -1 1 394.395 1.598 20 0 GDADMM COc1ccc(Cn2nccc2NC(=O)Cc2noc(C)c2-c2nn[n-]n2)cc1 ZINC000826208412 947608321 /nfs/dbraw/zinc/60/83/21/947608321.db2.gz JDSXCOOWHCRWIV-UHFFFAOYSA-N -1 1 394.395 1.598 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)c1ccsc1 ZINC001573616770 947627958 /nfs/dbraw/zinc/62/79/58/947627958.db2.gz NMEOVHPGSDHRNX-RYUDHWBXSA-N -1 1 384.469 1.782 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)c1ccsc1 ZINC001573616770 947627965 /nfs/dbraw/zinc/62/79/65/947627965.db2.gz NMEOVHPGSDHRNX-RYUDHWBXSA-N -1 1 384.469 1.782 20 0 GDADMM C=Cc1ccc(C(=O)NC2CC(CNc3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001573354592 947634027 /nfs/dbraw/zinc/63/40/27/947634027.db2.gz DQNKSQVXTYSJJY-UHFFFAOYSA-N -1 1 376.424 1.920 20 0 GDADMM C=Cc1ccc(C(=O)NC2CC(CNc3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001573354592 947634036 /nfs/dbraw/zinc/63/40/36/947634036.db2.gz DQNKSQVXTYSJJY-UHFFFAOYSA-N -1 1 376.424 1.920 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CN(C)c2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001573617373 947634271 /nfs/dbraw/zinc/63/42/71/947634271.db2.gz OYZQCEXXJFNXAI-CHWSQXEVSA-N -1 1 382.428 1.338 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CN(C)c2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001573617373 947634278 /nfs/dbraw/zinc/63/42/78/947634278.db2.gz OYZQCEXXJFNXAI-CHWSQXEVSA-N -1 1 382.428 1.338 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@]2(C)CCN(c3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001573354909 947638200 /nfs/dbraw/zinc/63/82/00/947638200.db2.gz JZMKYVXHDSKJOF-IBGZPJMESA-N -1 1 376.424 1.699 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@]2(C)CCN(c3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573354909 947638204 /nfs/dbraw/zinc/63/82/04/947638204.db2.gz JZMKYVXHDSKJOF-IBGZPJMESA-N -1 1 376.424 1.699 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C2CC2)cc1 ZINC001573355439 947642582 /nfs/dbraw/zinc/64/25/82/947642582.db2.gz PIVUFJKUYQKQKP-HNNXBMFYSA-N -1 1 376.424 1.342 20 0 GDADMM C=Cc1ccc(C(=O)NCC2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)cc1 ZINC001573355921 947646294 /nfs/dbraw/zinc/64/62/94/947646294.db2.gz SPWIYTJPKAFQPA-UHFFFAOYSA-N -1 1 390.451 1.946 20 0 GDADMM C=Cc1ccc(C(=O)NCC2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)cc1 ZINC001573355921 947646298 /nfs/dbraw/zinc/64/62/98/947646298.db2.gz SPWIYTJPKAFQPA-UHFFFAOYSA-N -1 1 390.451 1.946 20 0 GDADMM CC(C(=O)N1CC[C@@H](CN(C)c2cncc(-c3nnn[n-]3)n2)C1)=C1CCCC1 ZINC001573618945 947658359 /nfs/dbraw/zinc/65/83/59/947658359.db2.gz UDAWWGOIUOMRDR-AWEZNQCLSA-N -1 1 382.472 1.832 20 0 GDADMM CC(C(=O)N1CC[C@@H](CN(C)c2cncc(-c3nn[n-]n3)n2)C1)=C1CCCC1 ZINC001573618945 947658364 /nfs/dbraw/zinc/65/83/64/947658364.db2.gz UDAWWGOIUOMRDR-AWEZNQCLSA-N -1 1 382.472 1.832 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)c1cccs1 ZINC001573618972 947658609 /nfs/dbraw/zinc/65/86/09/947658609.db2.gz ULZZYLCQOQKIIE-NWDGAFQWSA-N -1 1 384.469 1.782 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)c1cccs1 ZINC001573618972 947658615 /nfs/dbraw/zinc/65/86/15/947658615.db2.gz ULZZYLCQOQKIIE-NWDGAFQWSA-N -1 1 384.469 1.782 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1CC(=O)c2ccccc21 ZINC000826232759 947681859 /nfs/dbraw/zinc/68/18/59/947681859.db2.gz HOSGZHQYRYSANH-OAHLLOKOSA-N -1 1 392.419 1.961 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccccc1F ZINC001573625618 947701268 /nfs/dbraw/zinc/70/12/68/947701268.db2.gz PRMPCGRDZMJJOG-RYUDHWBXSA-N -1 1 382.403 1.612 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccccc1F ZINC001573625618 947701277 /nfs/dbraw/zinc/70/12/77/947701277.db2.gz PRMPCGRDZMJJOG-RYUDHWBXSA-N -1 1 382.403 1.612 20 0 GDADMM C/C(=C\C(=O)N[C@]12CCC[C@@H]1N(c1nccnc1-c1nnn[n-]1)CC2)C1CC1 ZINC001573363439 947714086 /nfs/dbraw/zinc/71/40/86/947714086.db2.gz NYKMCBVCXLAEDQ-HBBBSCFVSA-N -1 1 380.456 1.631 20 0 GDADMM C/C(=C\C(=O)N[C@]12CCC[C@@H]1N(c1nccnc1-c1nn[n-]n1)CC2)C1CC1 ZINC001573363439 947714092 /nfs/dbraw/zinc/71/40/92/947714092.db2.gz NYKMCBVCXLAEDQ-HBBBSCFVSA-N -1 1 380.456 1.631 20 0 GDADMM Cc1c(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)cccc1N(C)C ZINC000826241759 947717417 /nfs/dbraw/zinc/71/74/17/947717417.db2.gz NBWHHNVWUKFVFS-UHFFFAOYSA-N -1 1 384.448 1.301 20 0 GDADMM Cc1c(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)cccc1N(C)C ZINC000826241759 947717427 /nfs/dbraw/zinc/71/74/27/947717427.db2.gz NBWHHNVWUKFVFS-UHFFFAOYSA-N -1 1 384.448 1.301 20 0 GDADMM C[C@H](C(=O)N1CC[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1)C(C)(C)C ZINC001573627550 947727156 /nfs/dbraw/zinc/72/71/56/947727156.db2.gz AFGZJOIOWYYOHB-BFUOFWGJSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](C(=O)N1CC[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1)C(C)(C)C ZINC001573627550 947727165 /nfs/dbraw/zinc/72/71/65/947727165.db2.gz AFGZJOIOWYYOHB-BFUOFWGJSA-N -1 1 384.488 1.768 20 0 GDADMM CC(=O)CCCC(=O)N(C)[C@@H](CNc1nc(C)cc(-c2nnn[n-]2)n1)C1CC1 ZINC001573365631 947731495 /nfs/dbraw/zinc/73/14/95/947731495.db2.gz MWFHDTQREHVBIJ-HNNXBMFYSA-N -1 1 386.460 1.373 20 0 GDADMM CC(=O)CCCC(=O)N(C)[C@@H](CNc1nc(C)cc(-c2nn[n-]n2)n1)C1CC1 ZINC001573365631 947731500 /nfs/dbraw/zinc/73/15/00/947731500.db2.gz MWFHDTQREHVBIJ-HNNXBMFYSA-N -1 1 386.460 1.373 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](CN(C)c2nccnc2-c2nnn[n-]2)C1)C1CCC1 ZINC001573628828 947766098 /nfs/dbraw/zinc/76/60/98/947766098.db2.gz KNEQVSHDIZUAPX-KBPBESRZSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](CN(C)c2nccnc2-c2nn[n-]n2)C1)C1CCC1 ZINC001573628828 947766104 /nfs/dbraw/zinc/76/61/04/947766104.db2.gz KNEQVSHDIZUAPX-KBPBESRZSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001573630217 947787848 /nfs/dbraw/zinc/78/78/48/947787848.db2.gz RGJQMBUCIGZLDF-MCIONIFRSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573630217 947787856 /nfs/dbraw/zinc/78/78/56/947787856.db2.gz RGJQMBUCIGZLDF-MCIONIFRSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001573630153 947788771 /nfs/dbraw/zinc/78/87/71/947788771.db2.gz QZZZQQHIYXLZAR-KBPBESRZSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001573630153 947788777 /nfs/dbraw/zinc/78/87/77/947788777.db2.gz QZZZQQHIYXLZAR-KBPBESRZSA-N -1 1 381.444 1.370 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H](CNc1nc(C)cc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001573373589 947795651 /nfs/dbraw/zinc/79/56/51/947795651.db2.gz FBAWYAPMEPXAND-AWEZNQCLSA-N -1 1 388.476 1.667 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H](CNc1nc(C)cc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573373589 947795654 /nfs/dbraw/zinc/79/56/54/947795654.db2.gz FBAWYAPMEPXAND-AWEZNQCLSA-N -1 1 388.476 1.667 20 0 GDADMM CC(=O)CCCC(=O)N1CCC(CN(C)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573373725 947797346 /nfs/dbraw/zinc/79/73/46/947797346.db2.gz KTMJFNGGIYQWNS-UHFFFAOYSA-N -1 1 386.460 1.091 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573375623 947823207 /nfs/dbraw/zinc/82/32/07/947823207.db2.gz SKSQGUSNFCKDOE-AWEZNQCLSA-N -1 1 386.460 1.457 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573375623 947823217 /nfs/dbraw/zinc/82/32/17/947823217.db2.gz SKSQGUSNFCKDOE-AWEZNQCLSA-N -1 1 386.460 1.457 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573376762 947840998 /nfs/dbraw/zinc/84/09/98/947840998.db2.gz XGKBDMLHSLKMPT-ZDUSSCGKSA-N -1 1 391.501 1.866 20 0 GDADMM CC(C(=O)N1CCO[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)=C1CCCC1 ZINC001573639733 947847705 /nfs/dbraw/zinc/84/77/05/947847705.db2.gz BUKDQWDRLRXXIT-CQSZACIVSA-N -1 1 384.444 1.187 20 0 GDADMM CC(C(=O)N1CCO[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)=C1CCCC1 ZINC001573639733 947847710 /nfs/dbraw/zinc/84/77/10/947847710.db2.gz BUKDQWDRLRXXIT-CQSZACIVSA-N -1 1 384.444 1.187 20 0 GDADMM CC(=O)CCCC(=O)N[C@H](C)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573377159 947847836 /nfs/dbraw/zinc/84/78/36/947847836.db2.gz JLVDOKUEYPWCMV-ZIAGYGMSSA-N -1 1 386.460 1.137 20 0 GDADMM CC(=O)CCCC(=O)N[C@H](C)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573377159 947847842 /nfs/dbraw/zinc/84/78/42/947847842.db2.gz JLVDOKUEYPWCMV-ZIAGYGMSSA-N -1 1 386.460 1.137 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)[C@@H](C)C1 ZINC001573380356 947858219 /nfs/dbraw/zinc/85/82/19/947858219.db2.gz CATGIOMSQVIGNK-GXFFZTMASA-N -1 1 391.501 1.864 20 0 GDADMM C[C@H](C(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)c1ccccc1F ZINC001573641820 947858969 /nfs/dbraw/zinc/85/89/69/947858969.db2.gz NQBDFTQOCNQEBK-LBPRGKRZSA-N -1 1 382.403 1.248 20 0 GDADMM C[C@H](C(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)c1ccccc1F ZINC001573641820 947858977 /nfs/dbraw/zinc/85/89/77/947858977.db2.gz NQBDFTQOCNQEBK-LBPRGKRZSA-N -1 1 382.403 1.248 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573380942 947866929 /nfs/dbraw/zinc/86/69/29/947866929.db2.gz KSZHRDOTLLUWMD-SECBINFHSA-N -1 1 383.865 1.431 20 0 GDADMM CC(=O)CCCC(=O)NC[C@@H](C)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573381133 947868487 /nfs/dbraw/zinc/86/84/87/947868487.db2.gz OLCLJSICCDMKHY-MRVPVSSYSA-N -1 1 385.881 1.677 20 0 GDADMM CC(=O)CCCC(=O)NC[C@@H](C)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573381133 947868491 /nfs/dbraw/zinc/86/84/91/947868491.db2.gz OLCLJSICCDMKHY-MRVPVSSYSA-N -1 1 385.881 1.677 20 0 GDADMM C[C@H](C(=O)N1C[C@@H]2CCC[C@]2(CNc2cncc(-c3nnn[n-]3)n2)C1)C1CC1 ZINC001573647905 947904309 /nfs/dbraw/zinc/90/43/09/947904309.db2.gz VHNRXOMDWUGHGI-PJFSTRORSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@H](C(=O)N1C[C@@H]2CCC[C@]2(CNc2cncc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001573647905 947904318 /nfs/dbraw/zinc/90/43/18/947904318.db2.gz VHNRXOMDWUGHGI-PJFSTRORSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1)C1CCCC1 ZINC001573650684 947910987 /nfs/dbraw/zinc/91/09/87/947910987.db2.gz CTELUMJGODPPGV-IMJJTQAJSA-N -1 1 396.499 1.768 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@]2(C)C1)C1CCC1 ZINC001573651720 947922846 /nfs/dbraw/zinc/92/28/46/947922846.db2.gz PVSQVPMKMPLWGS-TVZGQMOCSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H](C(=O)N[C@](C)(CNc1nccnc1-c1nnn[n-]1)C1CC1)c1ccco1 ZINC001573652263 947932953 /nfs/dbraw/zinc/93/29/53/947932953.db2.gz BZJSWIWUBZBUAD-ADLMAVQZSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](C(=O)N[C@](C)(CNc1nccnc1-c1nn[n-]n1)C1CC1)c1ccco1 ZINC001573652263 947932961 /nfs/dbraw/zinc/93/29/61/947932961.db2.gz BZJSWIWUBZBUAD-ADLMAVQZSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1)C1CCC1 ZINC001573652346 947935232 /nfs/dbraw/zinc/93/52/32/947935232.db2.gz XIGFLDNUZJVIPM-CFVMTHIKSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1)C1CCC1 ZINC001573652346 947935236 /nfs/dbraw/zinc/93/52/36/947935236.db2.gz XIGFLDNUZJVIPM-CFVMTHIKSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H](C(=O)N[C@](C)(CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)C(C)(F)F ZINC001573652578 947942935 /nfs/dbraw/zinc/94/29/35/947942935.db2.gz DURUPEKEZCBDHY-BJOHPYRUSA-N -1 1 380.403 1.067 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C(C)(C)C)C(F)(F)F ZINC001573652635 947943660 /nfs/dbraw/zinc/94/36/60/947943660.db2.gz FORFKHZNASNFNP-WPRPVWTQSA-N -1 1 386.382 1.798 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C(C)(C)C)C(F)(F)F ZINC001573652635 947943665 /nfs/dbraw/zinc/94/36/65/947943665.db2.gz FORFKHZNASNFNP-WPRPVWTQSA-N -1 1 386.382 1.798 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CCCC1)C1CCC1 ZINC001573653281 947955684 /nfs/dbraw/zinc/95/56/84/947955684.db2.gz KIKLBEZAGZUBAJ-WFASDCNBSA-N -1 1 384.488 1.602 20 0 GDADMM Cc1nn(-c2ccccc2)c(COC(=O)Cc2ccn(C)n2)c1-c1nn[n-]n1 ZINC000826332725 947964747 /nfs/dbraw/zinc/96/47/47/947964747.db2.gz FDCUNMSOPROYNH-UHFFFAOYSA-N -1 1 378.396 1.380 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)c1cccs1 ZINC001573655267 947977456 /nfs/dbraw/zinc/97/74/56/947977456.db2.gz WSQYMFPFRXYFHX-GWCFXTLKSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)c1cccs1 ZINC001573655267 947977462 /nfs/dbraw/zinc/97/74/62/947977462.db2.gz WSQYMFPFRXYFHX-GWCFXTLKSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CCCCC1)C1CC1 ZINC001573655229 947977835 /nfs/dbraw/zinc/97/78/35/947977835.db2.gz WNUCFHDREUIIRW-WFASDCNBSA-N -1 1 384.488 1.602 20 0 GDADMM Cc1onc(CC(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)c1-c1nnn[n-]1 ZINC000826342869 947984112 /nfs/dbraw/zinc/98/41/12/947984112.db2.gz CQYCJJMUCZDBFN-UHFFFAOYSA-N -1 1 380.368 1.013 20 0 GDADMM Cc1onc(CC(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)c1-c1nn[n-]n1 ZINC000826342869 947984118 /nfs/dbraw/zinc/98/41/18/947984118.db2.gz CQYCJJMUCZDBFN-UHFFFAOYSA-N -1 1 380.368 1.013 20 0 GDADMM C[C@@H](C(=O)NC1(CNc2ccc(-c3nnn[n-]3)nn2)CCOCC1)C1CCC1 ZINC001573658674 948011380 /nfs/dbraw/zinc/01/13/80/948011380.db2.gz SUNLJLZRXWOSGY-GFCCVEGCSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](C(=O)NC1(CNc2ccc(-c3nn[n-]n3)nn2)CCOCC1)C1CCC1 ZINC001573658674 948011390 /nfs/dbraw/zinc/01/13/90/948011390.db2.gz SUNLJLZRXWOSGY-GFCCVEGCSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@H](C(=O)NC1(CNc2ccc(-c3nnn[n-]3)nn2)CCOCC1)C1CCC1 ZINC001573658675 948012189 /nfs/dbraw/zinc/01/21/89/948012189.db2.gz SUNLJLZRXWOSGY-LBPRGKRZSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@H](C(=O)NC1(CNc2ccc(-c3nn[n-]n3)nn2)CCOCC1)C1CCC1 ZINC001573658675 948012196 /nfs/dbraw/zinc/01/21/96/948012196.db2.gz SUNLJLZRXWOSGY-LBPRGKRZSA-N -1 1 386.460 1.170 20 0 GDADMM Cc1onc(CC(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)c1-c1nnn[n-]1 ZINC000826345047 948019010 /nfs/dbraw/zinc/01/90/10/948019010.db2.gz AHHPWLTWTVOEEH-UKRRQHHQSA-N -1 1 382.424 1.990 20 0 GDADMM Cc1onc(CC(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)c1-c1nn[n-]n1 ZINC000826345047 948019018 /nfs/dbraw/zinc/01/90/18/948019018.db2.gz AHHPWLTWTVOEEH-UKRRQHHQSA-N -1 1 382.424 1.990 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](C)c2ccc(-n3ccnn3)cc2)c1-c1nnn[n-]1 ZINC000826345600 948025611 /nfs/dbraw/zinc/02/56/11/948025611.db2.gz OPZZBDKRUIFPKO-JTQLQIEISA-N -1 1 379.384 1.164 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](C)c2ccc(-n3ccnn3)cc2)c1-c1nn[n-]n1 ZINC000826345600 948025619 /nfs/dbraw/zinc/02/56/19/948025619.db2.gz OPZZBDKRUIFPKO-JTQLQIEISA-N -1 1 379.384 1.164 20 0 GDADMM Cc1onc(CC(=O)N2CCOC[C@H]2C[C@@H](O)c2ccccc2)c1-c1nnn[n-]1 ZINC000826345656 948029585 /nfs/dbraw/zinc/02/95/85/948029585.db2.gz QMCWPSAYBRAKPQ-GDBMZVCRSA-N -1 1 398.423 1.057 20 0 GDADMM Cc1onc(CC(=O)N2CCOC[C@H]2C[C@@H](O)c2ccccc2)c1-c1nn[n-]n1 ZINC000826345656 948029594 /nfs/dbraw/zinc/02/95/94/948029594.db2.gz QMCWPSAYBRAKPQ-GDBMZVCRSA-N -1 1 398.423 1.057 20 0 GDADMM Cc1onc(CC(=O)NC[C@@H](C)Oc2ccccc2Cl)c1-c1nnn[n-]1 ZINC000826346491 948040229 /nfs/dbraw/zinc/04/02/29/948040229.db2.gz NVBMJRGHHGNKSM-SECBINFHSA-N -1 1 376.804 1.943 20 0 GDADMM Cc1onc(CC(=O)NC[C@@H](C)Oc2ccccc2Cl)c1-c1nn[n-]n1 ZINC000826346491 948040238 /nfs/dbraw/zinc/04/02/38/948040238.db2.gz NVBMJRGHHGNKSM-SECBINFHSA-N -1 1 376.804 1.943 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nn1)CC2)C(C)(C)C ZINC001573663752 948041864 /nfs/dbraw/zinc/04/18/64/948041864.db2.gz PIMFACXBLCJRPM-JSGCOSHPSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nn1)CC2)C(C)(C)C ZINC001573663752 948041870 /nfs/dbraw/zinc/04/18/70/948041870.db2.gz PIMFACXBLCJRPM-JSGCOSHPSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)NC1CC2(C1)CC(Nc1cnc(-c3nnn[n-]3)cn1)C2)C1CCC1 ZINC001573663827 948043500 /nfs/dbraw/zinc/04/35/00/948043500.db2.gz AMGQGGAPIFYJPY-KDBGQGEDSA-N -1 1 382.472 1.932 20 0 GDADMM C[C@@H](C(=O)NC1CC2(C1)CC(Nc1cnc(-c3nn[n-]n3)cn1)C2)C1CCC1 ZINC001573663827 948043506 /nfs/dbraw/zinc/04/35/06/948043506.db2.gz AMGQGGAPIFYJPY-KDBGQGEDSA-N -1 1 382.472 1.932 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](c2nnc3ccccn32)C(C)C)c1-c1nnn[n-]1 ZINC000826346596 948043994 /nfs/dbraw/zinc/04/39/94/948043994.db2.gz PXHVATCGWMPHRJ-OAHLLOKOSA-N -1 1 381.400 1.262 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](c2nnc3ccccn32)C(C)C)c1-c1nn[n-]n1 ZINC000826346596 948044004 /nfs/dbraw/zinc/04/40/04/948044004.db2.gz PXHVATCGWMPHRJ-OAHLLOKOSA-N -1 1 381.400 1.262 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1)C1CCCC1 ZINC001573664443 948052593 /nfs/dbraw/zinc/05/25/93/948052593.db2.gz DNAJRDNWKLCLGP-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1)C1CCCC1 ZINC001573664443 948052599 /nfs/dbraw/zinc/05/25/99/948052599.db2.gz DNAJRDNWKLCLGP-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM Cc1onc(CC(=O)NCc2ccccc2Cn2cccn2)c1-c1nnn[n-]1 ZINC000826347724 948058646 /nfs/dbraw/zinc/05/86/46/948058646.db2.gz BVINLOQEMXUUIJ-UHFFFAOYSA-N -1 1 378.396 1.267 20 0 GDADMM Cc1onc(CC(=O)NCc2ccccc2Cn2cccn2)c1-c1nn[n-]n1 ZINC000826347724 948058654 /nfs/dbraw/zinc/05/86/54/948058654.db2.gz BVINLOQEMXUUIJ-UHFFFAOYSA-N -1 1 378.396 1.267 20 0 GDADMM Cc1onc(CC(=O)NCCc2nc(-c3ccccn3)cs2)c1-c1nnn[n-]1 ZINC000826347745 948061724 /nfs/dbraw/zinc/06/17/24/948061724.db2.gz CXUCEDYTCWZSMQ-UHFFFAOYSA-N -1 1 396.436 1.583 20 0 GDADMM Cc1onc(CC(=O)NCCc2nc(-c3ccccn3)cs2)c1-c1nn[n-]n1 ZINC000826347745 948061735 /nfs/dbraw/zinc/06/17/35/948061735.db2.gz CXUCEDYTCWZSMQ-UHFFFAOYSA-N -1 1 396.436 1.583 20 0 GDADMM Cc1onc(CC(=O)NCc2ccccc2OC(F)(F)F)c1-c1nnn[n-]1 ZINC000826347889 948063410 /nfs/dbraw/zinc/06/34/10/948063410.db2.gz KMKSNGZLKDQCMQ-UHFFFAOYSA-N -1 1 382.302 1.921 20 0 GDADMM Cc1onc(CC(=O)NCc2ccccc2OC(F)(F)F)c1-c1nn[n-]n1 ZINC000826347889 948063421 /nfs/dbraw/zinc/06/34/21/948063421.db2.gz KMKSNGZLKDQCMQ-UHFFFAOYSA-N -1 1 382.302 1.921 20 0 GDADMM Cc1onc(CC(=O)NCCc2nc(C(F)(F)F)cs2)c1-c1nnn[n-]1 ZINC000826347949 948063473 /nfs/dbraw/zinc/06/34/73/948063473.db2.gz NAEJCDDHIHQKQS-UHFFFAOYSA-N -1 1 387.347 1.540 20 0 GDADMM Cc1onc(CC(=O)NCCc2nc(C(F)(F)F)cs2)c1-c1nn[n-]n1 ZINC000826347949 948063482 /nfs/dbraw/zinc/06/34/82/948063482.db2.gz NAEJCDDHIHQKQS-UHFFFAOYSA-N -1 1 387.347 1.540 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2)C(C)(C)C ZINC001573665123 948069811 /nfs/dbraw/zinc/06/98/11/948069811.db2.gz JBRDTGNRURBWDA-OLZOCXBDSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2)C(C)(C)C ZINC001573665123 948069824 /nfs/dbraw/zinc/06/98/24/948069824.db2.gz JBRDTGNRURBWDA-OLZOCXBDSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)NC1CC2(C1)CC(Nc1nccnc1-c1nnn[n-]1)C2)C1CCC1 ZINC001573665970 948079401 /nfs/dbraw/zinc/07/94/01/948079401.db2.gz NWNUULVWAAOHOM-AIMVFPRCSA-N -1 1 382.472 1.932 20 0 GDADMM C[C@H](C(=O)NC1CC2(C1)CC(Nc1nccnc1-c1nn[n-]n1)C2)C1CCC1 ZINC001573665970 948079410 /nfs/dbraw/zinc/07/94/10/948079410.db2.gz NWNUULVWAAOHOM-AIMVFPRCSA-N -1 1 382.472 1.932 20 0 GDADMM Cc1onc(CC(=O)Nc2cccc(N3CCOC3=O)c2C)c1-c1nnn[n-]1 ZINC000826349052 948087915 /nfs/dbraw/zinc/08/79/15/948087915.db2.gz RFIIIWOYQAQMFW-UHFFFAOYSA-N -1 1 383.368 1.609 20 0 GDADMM Cc1onc(CC(=O)Nc2cccc(N3CCOC3=O)c2C)c1-c1nn[n-]n1 ZINC000826349052 948087928 /nfs/dbraw/zinc/08/79/28/948087928.db2.gz RFIIIWOYQAQMFW-UHFFFAOYSA-N -1 1 383.368 1.609 20 0 GDADMM Cc1onc(CC(=O)Nc2nc3cc4c(cc3s2)OCCO4)c1-c1nnn[n-]1 ZINC000826349859 948094963 /nfs/dbraw/zinc/09/49/63/948094963.db2.gz XLNUFKXHNFFQOI-UHFFFAOYSA-N -1 1 399.392 1.725 20 0 GDADMM Cc1onc(CC(=O)Nc2nc3cc4c(cc3s2)OCCO4)c1-c1nn[n-]n1 ZINC000826349859 948094970 /nfs/dbraw/zinc/09/49/70/948094970.db2.gz XLNUFKXHNFFQOI-UHFFFAOYSA-N -1 1 399.392 1.725 20 0 GDADMM CC(C)[C@@H](CNC(=O)[C@@H](C)c1cccs1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573678990 948156742 /nfs/dbraw/zinc/15/67/42/948156742.db2.gz HGGJVKRCPQIVNE-NWDGAFQWSA-N -1 1 386.485 1.497 20 0 GDADMM C[C@H](C(=O)NC[C@@H](CO)Nc1snc(Cl)c1-c1nnn[n-]1)C(C)(C)C ZINC001573679859 948167450 /nfs/dbraw/zinc/16/74/50/948167450.db2.gz KECVKCAHLYGISR-SFYZADRCSA-N -1 1 387.897 1.548 20 0 GDADMM C[C@H](C(=O)NC[C@@H](CO)Nc1snc(Cl)c1-c1nn[n-]n1)C(C)(C)C ZINC001573679859 948167456 /nfs/dbraw/zinc/16/74/56/948167456.db2.gz KECVKCAHLYGISR-SFYZADRCSA-N -1 1 387.897 1.548 20 0 GDADMM CC(C)[C@H](CNC(=O)[C@H](C)c1cccnc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001573680441 948179823 /nfs/dbraw/zinc/17/98/23/948179823.db2.gz NSSXSIMJUIUFDA-OCCSQVGLSA-N -1 1 381.444 1.408 20 0 GDADMM CC(C)[C@H](CNC(=O)[C@H](C)c1cccnc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001573680441 948179829 /nfs/dbraw/zinc/17/98/29/948179829.db2.gz NSSXSIMJUIUFDA-OCCSQVGLSA-N -1 1 381.444 1.408 20 0 GDADMM CC(=O)N1CC[C@H](NC(=O)Nc2ccnc(-c3nnn[n-]3)c2)c2ccccc21 ZINC001573433031 948197059 /nfs/dbraw/zinc/19/70/59/948197059.db2.gz IZFSGGUYXLGFNG-AWEZNQCLSA-N -1 1 378.396 1.881 20 0 GDADMM CC(=O)N1CC[C@H](NC(=O)Nc2ccnc(-c3nn[n-]n3)c2)c2ccccc21 ZINC001573433031 948197067 /nfs/dbraw/zinc/19/70/67/948197067.db2.gz IZFSGGUYXLGFNG-AWEZNQCLSA-N -1 1 378.396 1.881 20 0 GDADMM C[C@H](C(=O)NC[C@]1(C)CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1CCC1 ZINC001573690565 948225354 /nfs/dbraw/zinc/22/53/54/948225354.db2.gz DPVHWJGJADUNDM-DJJJIMSYSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NC[C@]1(C)CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1CCC1 ZINC001573690565 948225365 /nfs/dbraw/zinc/22/53/65/948225365.db2.gz DPVHWJGJADUNDM-DJJJIMSYSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCCC1)c1ccco1 ZINC001573690759 948229813 /nfs/dbraw/zinc/22/98/13/948229813.db2.gz ATYSWEHYUTWUKS-LBPRGKRZSA-N -1 1 382.428 1.894 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCCC1)c1ccco1 ZINC001573690759 948229818 /nfs/dbraw/zinc/22/98/18/948229818.db2.gz ATYSWEHYUTWUKS-LBPRGKRZSA-N -1 1 382.428 1.894 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCCC1)[C@@H]1CCCO1 ZINC001573692090 948254053 /nfs/dbraw/zinc/25/40/53/948254053.db2.gz LIBFHGRWRJALKG-JSGCOSHPSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCCC1)[C@@H]1CCCO1 ZINC001573692090 948254059 /nfs/dbraw/zinc/25/40/59/948254059.db2.gz LIBFHGRWRJALKG-JSGCOSHPSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1)c1cccc(F)c1 ZINC001573692532 948268260 /nfs/dbraw/zinc/26/82/60/948268260.db2.gz QLELRCUSWZECIF-LLVKDONJSA-N -1 1 382.403 1.660 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1)c1cccc(F)c1 ZINC001573692532 948268270 /nfs/dbraw/zinc/26/82/70/948268270.db2.gz QLELRCUSWZECIF-LLVKDONJSA-N -1 1 382.403 1.660 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCOCC1)C1CCC1 ZINC001573696332 948321650 /nfs/dbraw/zinc/32/16/50/948321650.db2.gz OAPWKOHTGGMHMY-GFCCVEGCSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCOCC1)C1CCC1 ZINC001573696332 948321658 /nfs/dbraw/zinc/32/16/58/948321658.db2.gz OAPWKOHTGGMHMY-GFCCVEGCSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1)c1cccc(F)c1 ZINC001573696753 948334898 /nfs/dbraw/zinc/33/48/98/948334898.db2.gz WSYQYXMHUQOWHL-NSHDSACASA-N -1 1 382.403 1.660 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1)c1cccc(F)c1 ZINC001573696753 948334907 /nfs/dbraw/zinc/33/49/07/948334907.db2.gz WSYQYXMHUQOWHL-NSHDSACASA-N -1 1 382.403 1.660 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)C1CCCC1 ZINC001573696890 948336472 /nfs/dbraw/zinc/33/64/72/948336472.db2.gz ZEWRMQBCRRVTML-NGFQHRJXSA-N -1 1 382.472 1.281 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)C1CCCC1 ZINC001573696890 948336480 /nfs/dbraw/zinc/33/64/80/948336480.db2.gz ZEWRMQBCRRVTML-NGFQHRJXSA-N -1 1 382.472 1.281 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573703390 948355441 /nfs/dbraw/zinc/35/54/41/948355441.db2.gz JVPGTEKNLGFZJK-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCC(C)(C)CN1c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001573703985 948362142 /nfs/dbraw/zinc/36/21/42/948362142.db2.gz NSHJICHUYIJZOU-JSGCOSHPSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCC(C)(C)CN1c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001573703985 948362152 /nfs/dbraw/zinc/36/21/52/948362152.db2.gz NSHJICHUYIJZOU-JSGCOSHPSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCCN1c1nccnc1-c1nnn[n-]1)c1ccco1 ZINC001573703890 948362487 /nfs/dbraw/zinc/36/24/87/948362487.db2.gz NOIOGFROUNJSTH-OLZOCXBDSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCCN1c1nccnc1-c1nn[n-]n1)c1ccco1 ZINC001573703890 948362495 /nfs/dbraw/zinc/36/24/95/948362495.db2.gz NOIOGFROUNJSTH-OLZOCXBDSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)C(C)(F)F ZINC001573704013 948362736 /nfs/dbraw/zinc/36/27/36/948362736.db2.gz NYSIVOOXVZNPCU-WDEREUQCSA-N -1 1 380.403 1.281 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573704013 948362742 /nfs/dbraw/zinc/36/27/42/948362742.db2.gz NYSIVOOXVZNPCU-WDEREUQCSA-N -1 1 380.403 1.281 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573704324 948369528 /nfs/dbraw/zinc/36/95/28/948369528.db2.gz APHXEZBACHLAOO-VXGBXAGGSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1)C1CC1 ZINC001573705081 948391933 /nfs/dbraw/zinc/39/19/33/948391933.db2.gz CPKJWRVBADYKFW-DGCLKSJQSA-N -1 1 376.486 1.291 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCCN1c1nccnc1-c1nnn[n-]1)C(C)(F)F ZINC001573705707 948408220 /nfs/dbraw/zinc/40/82/20/948408220.db2.gz XPUNRJGODAEFAB-WDEREUQCSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCCN1c1nccnc1-c1nn[n-]n1)C(C)(F)F ZINC001573705707 948408226 /nfs/dbraw/zinc/40/82/26/948408226.db2.gz XPUNRJGODAEFAB-WDEREUQCSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccsc1 ZINC001573706554 948421301 /nfs/dbraw/zinc/42/13/01/948421301.db2.gz LRVLDWCUFBWATM-NWDGAFQWSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccsc1 ZINC001573706554 948421304 /nfs/dbraw/zinc/42/13/04/948421304.db2.gz LRVLDWCUFBWATM-NWDGAFQWSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@@H](C(=O)NCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)c1ccco1 ZINC001573707885 948439345 /nfs/dbraw/zinc/43/93/45/948439345.db2.gz QYZIHUWLWKALRV-GFCCVEGCSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@@H](C(=O)NCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)c1ccco1 ZINC001573707885 948439350 /nfs/dbraw/zinc/43/93/50/948439350.db2.gz QYZIHUWLWKALRV-GFCCVEGCSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@@H](C(=O)NCC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001573714677 948474518 /nfs/dbraw/zinc/47/45/18/948474518.db2.gz INRMJKXVGIWDRC-VHSXEESVSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@H](C(=O)NCC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001573714677 948474524 /nfs/dbraw/zinc/47/45/24/948474524.db2.gz INRMJKXVGIWDRC-VHSXEESVSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@H](C(=O)NCC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001573715210 948486643 /nfs/dbraw/zinc/48/66/43/948486643.db2.gz RAZROHNLGLXHHW-OLZOCXBDSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@@H](C(=O)NCC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001573715210 948486647 /nfs/dbraw/zinc/48/66/47/948486647.db2.gz RAZROHNLGLXHHW-OLZOCXBDSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@@H](C(=O)NCCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C1CCC1 ZINC001573715468 948492080 /nfs/dbraw/zinc/49/20/80/948492080.db2.gz WPKQHPVQWGVNQJ-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NCCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C1CCC1 ZINC001573715468 948492086 /nfs/dbraw/zinc/49/20/86/948492086.db2.gz WPKQHPVQWGVNQJ-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1ccnc(-c2nn[n-]n2)n1)c1ccc(Cl)s1 ZINC001573718103 948514312 /nfs/dbraw/zinc/51/43/12/948514312.db2.gz HSHRUGPNUDWKSF-VIFPVBQESA-N -1 1 392.876 1.728 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001573727997 948557284 /nfs/dbraw/zinc/55/72/84/948557284.db2.gz OFNUSANGJSQKED-KXUCPTDWSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573727997 948557289 /nfs/dbraw/zinc/55/72/89/948557289.db2.gz OFNUSANGJSQKED-KXUCPTDWSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ccsc1 ZINC001573728621 948560765 /nfs/dbraw/zinc/56/07/65/948560765.db2.gz QCISFQAKMWUSLW-WZRBSPASSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ccsc1 ZINC001573728621 948560775 /nfs/dbraw/zinc/56/07/75/948560775.db2.gz QCISFQAKMWUSLW-WZRBSPASSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C)C(C)(F)F ZINC001573729907 948573227 /nfs/dbraw/zinc/57/32/27/948573227.db2.gz WKPGFPFGCFRFOH-OUAUKWLOSA-N -1 1 380.403 1.137 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C)C(C)(F)F ZINC001573729907 948573228 /nfs/dbraw/zinc/57/32/28/948573228.db2.gz WKPGFPFGCFRFOH-OUAUKWLOSA-N -1 1 380.403 1.137 20 0 GDADMM C[C@H](NC(=O)[C@@H](C)C1CCC1)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573731230 948589120 /nfs/dbraw/zinc/58/91/20/948589120.db2.gz FRAUHLGUCMMLSI-STQMWFEESA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1)C(F)(F)F ZINC001573739929 948625321 /nfs/dbraw/zinc/62/53/21/948625321.db2.gz ITYJLYIXRFJXMY-JLIMGVALSA-N -1 1 382.350 1.081 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1)C(F)(F)F ZINC001573739929 948625326 /nfs/dbraw/zinc/62/53/26/948625326.db2.gz ITYJLYIXRFJXMY-JLIMGVALSA-N -1 1 382.350 1.081 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C)c1ccsc1 ZINC001573741599 948657055 /nfs/dbraw/zinc/65/70/55/948657055.db2.gz ZRFJPWBFPFTDQT-JTNHKYCSSA-N -1 1 384.469 1.463 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C)c1ccsc1 ZINC001573741599 948657061 /nfs/dbraw/zinc/65/70/61/948657061.db2.gz ZRFJPWBFPFTDQT-JTNHKYCSSA-N -1 1 384.469 1.463 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CC1)[C@@H]1CCCO1 ZINC001573745613 948673959 /nfs/dbraw/zinc/67/39/59/948673959.db2.gz FUWLLTOAJCFNRJ-ABHRYQDASA-N -1 1 386.460 1.311 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CC1)[C@@H]1CCCO1 ZINC001573745613 948673963 /nfs/dbraw/zinc/67/39/63/948673963.db2.gz FUWLLTOAJCFNRJ-ABHRYQDASA-N -1 1 386.460 1.311 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CC1)c1ccco1 ZINC001573745740 948675970 /nfs/dbraw/zinc/67/59/70/948675970.db2.gz HQULZJQQEVTJAX-AVGNSLFASA-N -1 1 382.428 1.893 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CC1)c1ccco1 ZINC001573745740 948675978 /nfs/dbraw/zinc/67/59/78/948675978.db2.gz HQULZJQQEVTJAX-AVGNSLFASA-N -1 1 382.428 1.893 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CC1)c1ccco1 ZINC001573747432 948690838 /nfs/dbraw/zinc/69/08/38/948690838.db2.gz UPUVYGSCWWRSGO-AVGNSLFASA-N -1 1 382.428 1.893 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CC1)c1ccco1 ZINC001573747432 948690846 /nfs/dbraw/zinc/69/08/46/948690846.db2.gz UPUVYGSCWWRSGO-AVGNSLFASA-N -1 1 382.428 1.893 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573751544 948703821 /nfs/dbraw/zinc/70/38/21/948703821.db2.gz BDVVTDDJVSRINV-RZFFKMDDSA-N -1 1 382.472 1.709 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@H](C)[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)nc1 ZINC001574416000 948744073 /nfs/dbraw/zinc/74/40/73/948744073.db2.gz NPYPSMBDOUSERK-NWDGAFQWSA-N -1 1 381.444 1.794 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@H](C)[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)nc1 ZINC001574416000 948744079 /nfs/dbraw/zinc/74/40/79/948744079.db2.gz NPYPSMBDOUSERK-NWDGAFQWSA-N -1 1 381.444 1.794 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575222157 948754609 /nfs/dbraw/zinc/75/46/09/948754609.db2.gz FPDMJLLNSLLRST-QWRGUYRKSA-N -1 1 392.414 1.211 20 0 GDADMM CC(C)[C@@H](F)C(=O)N[C@H]1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574078356 948756515 /nfs/dbraw/zinc/75/65/15/948756515.db2.gz CXCJMSALGGZHTB-LALPHHSUSA-N -1 1 376.440 1.738 20 0 GDADMM CC(C)[C@@H](F)C(=O)N[C@H]1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574078356 948756526 /nfs/dbraw/zinc/75/65/26/948756526.db2.gz CXCJMSALGGZHTB-LALPHHSUSA-N -1 1 376.440 1.738 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)C(C)(C)C1CCOCC1 ZINC001574679041 948762083 /nfs/dbraw/zinc/76/20/83/948762083.db2.gz MGMJFRRGMTXBCW-LBPRGKRZSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)C(C)(C)C1CCOCC1 ZINC001574679041 948762092 /nfs/dbraw/zinc/76/20/92/948762092.db2.gz MGMJFRRGMTXBCW-LBPRGKRZSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@H](C(=O)Nc1c(Cl)n(C)nc1C(F)(F)F)n1cnc(-c2nn[n-]n2)n1 ZINC001573755352 948762470 /nfs/dbraw/zinc/76/24/70/948762470.db2.gz CBSIZHUHGAVQOA-SCSAIBSYSA-N -1 1 390.717 1.064 20 0 GDADMM CC(F)(F)CC(=O)N[C@@]12CCC[C@@H]1N(c1nccnc1-c1nnn[n-]1)CC2 ZINC001575223350 948764431 /nfs/dbraw/zinc/76/44/31/948764431.db2.gz AJWSYKIGDWRHFW-MGPLVRAMSA-N -1 1 378.387 1.320 20 0 GDADMM CC(F)(F)CC(=O)N[C@@]12CCC[C@@H]1N(c1nccnc1-c1nn[n-]n1)CC2 ZINC001575223350 948764441 /nfs/dbraw/zinc/76/44/41/948764441.db2.gz AJWSYKIGDWRHFW-MGPLVRAMSA-N -1 1 378.387 1.320 20 0 GDADMM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)c1cccs1 ZINC001573755437 948766805 /nfs/dbraw/zinc/76/68/05/948766805.db2.gz DTLUZPSWVGMTHA-KZWBYHQPSA-N -1 1 382.453 1.073 20 0 GDADMM C[C@@H](CNC(=O)CCc1ccccc1F)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574915479 948766958 /nfs/dbraw/zinc/76/69/58/948766958.db2.gz VGSXYLLXTPXRBG-GFCCVEGCSA-N -1 1 384.419 1.015 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cccc2c1CCC2 ZINC001574679202 948768977 /nfs/dbraw/zinc/76/89/77/948768977.db2.gz QEXBLXKGVHDAJR-GFCCVEGCSA-N -1 1 378.440 1.766 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cccc2c1CCC2 ZINC001574679202 948768989 /nfs/dbraw/zinc/76/89/89/948768989.db2.gz QEXBLXKGVHDAJR-GFCCVEGCSA-N -1 1 378.440 1.766 20 0 GDADMM CC(F)(F)CC(=O)N[C@]12CCC[C@@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001575223490 948769108 /nfs/dbraw/zinc/76/91/08/948769108.db2.gz BYWXUNOHGSBPHW-ZBEGNZNMSA-N -1 1 378.387 1.320 20 0 GDADMM CC(F)(F)CC(=O)N[C@]12CCC[C@@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001575223490 948769120 /nfs/dbraw/zinc/76/91/20/948769120.db2.gz BYWXUNOHGSBPHW-ZBEGNZNMSA-N -1 1 378.387 1.320 20 0 GDADMM CC(F)(F)CC(=O)N1C[C@@]2(C)CN(c3cnc(-c4nnn[n-]4)cn3)C[C@@]2(C)C1 ZINC001575223872 948769880 /nfs/dbraw/zinc/76/98/80/948769880.db2.gz HIBRAHBVTXXMRE-IYBDPMFKSA-N -1 1 392.414 1.377 20 0 GDADMM CC(F)(F)CC(=O)N1C[C@@]2(C)CN(c3cnc(-c4nn[n-]n4)cn3)C[C@@]2(C)C1 ZINC001575223872 948769896 /nfs/dbraw/zinc/76/98/96/948769896.db2.gz HIBRAHBVTXXMRE-IYBDPMFKSA-N -1 1 392.414 1.377 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccc2cccnc2n1 ZINC001574679269 948774531 /nfs/dbraw/zinc/77/45/31/948774531.db2.gz RLQGUEVBVIBFJM-NSHDSACASA-N -1 1 390.411 1.220 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccc2cccnc2n1 ZINC001574679269 948774542 /nfs/dbraw/zinc/77/45/42/948774542.db2.gz RLQGUEVBVIBFJM-NSHDSACASA-N -1 1 390.411 1.220 20 0 GDADMM C[C@H](CNC(=O)CCc1cc(Cl)cs1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574915957 948774713 /nfs/dbraw/zinc/77/47/13/948774713.db2.gz ZPIUQJZGOLINAC-SECBINFHSA-N -1 1 392.876 1.921 20 0 GDADMM C[C@H](CNC(=O)CCc1cc(Cl)cs1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574915957 948774723 /nfs/dbraw/zinc/77/47/23/948774723.db2.gz ZPIUQJZGOLINAC-SECBINFHSA-N -1 1 392.876 1.921 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@H](C)[C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)n1 ZINC001574418219 948775788 /nfs/dbraw/zinc/77/57/88/948775788.db2.gz VRKXBDHRHGATIO-NWDGAFQWSA-N -1 1 381.444 1.216 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575223940 948776243 /nfs/dbraw/zinc/77/62/43/948776243.db2.gz PWXGZCOKHUFUHN-WDEREUQCSA-N -1 1 392.414 1.789 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575223940 948776261 /nfs/dbraw/zinc/77/62/61/948776261.db2.gz PWXGZCOKHUFUHN-WDEREUQCSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@H](C(=O)Nc1nc2cc(F)c(Cl)cc2[nH]1)n1cnc(-c2nn[n-]n2)n1 ZINC001573755729 948778061 /nfs/dbraw/zinc/77/80/61/948778061.db2.gz TUQSIRATQDMIRC-RXMQYKEDSA-N -1 1 376.743 1.327 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001574418668 948780140 /nfs/dbraw/zinc/78/01/40/948780140.db2.gz ZRMNVAPLBFHQKM-GFCCVEGCSA-N -1 1 379.428 1.184 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001574418668 948780152 /nfs/dbraw/zinc/78/01/52/948780152.db2.gz ZRMNVAPLBFHQKM-GFCCVEGCSA-N -1 1 379.428 1.184 20 0 GDADMM C[C@@H](C(=O)Nc1ccccc1N=S(C)(C)=O)n1cnc(-c2nn[n-]n2)n1 ZINC001573756035 948792386 /nfs/dbraw/zinc/79/23/86/948792386.db2.gz WFOCHWRLTAHICR-VIFPVBQESA-N -1 1 375.418 1.017 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C2CC2)CC1 ZINC001575224740 948792821 /nfs/dbraw/zinc/79/28/21/948792821.db2.gz YFCWVOCKEOHTES-JTQLQIEISA-N -1 1 378.387 1.399 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C2CC2)CC1 ZINC001575224740 948792826 /nfs/dbraw/zinc/79/28/26/948792826.db2.gz YFCWVOCKEOHTES-JTQLQIEISA-N -1 1 378.387 1.399 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001575225113 948797982 /nfs/dbraw/zinc/79/79/82/948797982.db2.gz WQXPZIRCJUKGQM-WDEREUQCSA-N -1 1 378.387 1.129 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001575225113 948797993 /nfs/dbraw/zinc/79/79/93/948797993.db2.gz WQXPZIRCJUKGQM-WDEREUQCSA-N -1 1 378.387 1.129 20 0 GDADMM C[C@@H](C(=O)N[C@]12CCC[C@H]1CN(c1ccnc(-c3nn[n-]n3)n1)C2)C(C)(F)F ZINC001573756182 948803518 /nfs/dbraw/zinc/80/35/18/948803518.db2.gz NEUXNKCQMOKUFC-DINDLPBHSA-N -1 1 392.414 1.423 20 0 GDADMM CC(C)[C@@H](F)C(=O)N[C@@H](C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574080825 948803978 /nfs/dbraw/zinc/80/39/78/948803978.db2.gz ODTRGSJWARXEHI-XHDPSFHLSA-N -1 1 376.440 1.372 20 0 GDADMM CC(C)[C@@H](F)C(=O)N[C@@H](C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574080825 948803997 /nfs/dbraw/zinc/80/39/97/948803997.db2.gz ODTRGSJWARXEHI-XHDPSFHLSA-N -1 1 376.440 1.372 20 0 GDADMM CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)NC1CCN(CC(=O)[O-])CC1 ZINC001589558982 948804040 /nfs/dbraw/zinc/80/40/40/948804040.db2.gz YMVDSDMAZXETDW-CQSZACIVSA-N -1 1 397.497 1.087 20 0 GDADMM CC(C)[C@H](F)C(=O)N[C@@H](C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574080824 948805014 /nfs/dbraw/zinc/80/50/14/948805014.db2.gz ODTRGSJWARXEHI-NHYWBVRUSA-N -1 1 376.440 1.372 20 0 GDADMM CC(C)[C@H](F)C(=O)N[C@@H](C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574080824 948805030 /nfs/dbraw/zinc/80/50/30/948805030.db2.gz ODTRGSJWARXEHI-NHYWBVRUSA-N -1 1 376.440 1.372 20 0 GDADMM CC(C)c1ccoc1C(=O)N1C[C@@H](C)[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574420867 948806544 /nfs/dbraw/zinc/80/65/44/948806544.db2.gz CFQWFHAQIHZOFD-YPMHNXCESA-N -1 1 382.428 1.368 20 0 GDADMM C[C@@H](C(=O)Nc1ccnc(C(=O)OC(C)(C)C)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001573756261 948807713 /nfs/dbraw/zinc/80/77/13/948807713.db2.gz YFKZVFOZASFNCQ-VIFPVBQESA-N -1 1 385.388 1.008 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[C@@H]1CCC(C)(C)CO1 ZINC001574680504 948808526 /nfs/dbraw/zinc/80/85/26/948808526.db2.gz HNODHQFXDHYVNM-STQMWFEESA-N -1 1 388.476 1.559 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[C@@H]1CCC(C)(C)CO1 ZINC001574680504 948808532 /nfs/dbraw/zinc/80/85/32/948808532.db2.gz HNODHQFXDHYVNM-STQMWFEESA-N -1 1 388.476 1.559 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001575225731 948811017 /nfs/dbraw/zinc/81/10/17/948811017.db2.gz DTVVNFVEOBQWKM-MGCOHNPYSA-N -1 1 378.387 1.399 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001575225731 948811034 /nfs/dbraw/zinc/81/10/34/948811034.db2.gz DTVVNFVEOBQWKM-MGCOHNPYSA-N -1 1 378.387 1.399 20 0 GDADMM CC(F)(F)CC(=O)N1CCC2(CCN(c3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001575227627 948830492 /nfs/dbraw/zinc/83/04/92/948830492.db2.gz WVUDQCGAFRQKQM-UHFFFAOYSA-N -1 1 392.414 1.521 20 0 GDADMM CC(F)(F)CC(=O)N1CCC2(CCN(c3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001575227627 948830506 /nfs/dbraw/zinc/83/05/06/948830506.db2.gz WVUDQCGAFRQKQM-UHFFFAOYSA-N -1 1 392.414 1.521 20 0 GDADMM CC(F)(F)CC(=O)N1C[C@@H]2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@H]2C1 ZINC001575227389 948830967 /nfs/dbraw/zinc/83/09/67/948830967.db2.gz VUCITMRQPRMIBE-SDDRHHMPSA-N -1 1 392.414 1.741 20 0 GDADMM CC(F)(F)CC(=O)N1C[C@@H]2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@H]2C1 ZINC001575227389 948830981 /nfs/dbraw/zinc/83/09/81/948830981.db2.gz VUCITMRQPRMIBE-SDDRHHMPSA-N -1 1 392.414 1.741 20 0 GDADMM CC(F)(F)CC(=O)NCCC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575229183 948839973 /nfs/dbraw/zinc/83/99/73/948839973.db2.gz DILIACUJXCQHAN-NSHDSACASA-N -1 1 380.403 1.567 20 0 GDADMM CC(F)(F)CC(=O)NCCC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575229183 948839992 /nfs/dbraw/zinc/83/99/92/948839992.db2.gz DILIACUJXCQHAN-NSHDSACASA-N -1 1 380.403 1.567 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ocnc1C(F)F ZINC001574683333 948849356 /nfs/dbraw/zinc/84/93/56/948849356.db2.gz XVMGDBCTQYVZJE-ZETCQYMHSA-N -1 1 379.331 1.203 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ocnc1C(F)F ZINC001574683333 948849375 /nfs/dbraw/zinc/84/93/75/948849375.db2.gz XVMGDBCTQYVZJE-ZETCQYMHSA-N -1 1 379.331 1.203 20 0 GDADMM CC(F)(F)CC(=O)NC[C@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001575229531 948852018 /nfs/dbraw/zinc/85/20/18/948852018.db2.gz MBDOQSMDEVLJTM-SSDOTTSWSA-N -1 1 391.835 1.964 20 0 GDADMM C[C@H](CNC(=O)CCCc1cccs1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574918504 948852102 /nfs/dbraw/zinc/85/21/02/948852102.db2.gz LTOMJMNWYSEDER-LBPRGKRZSA-N -1 1 386.485 1.905 20 0 GDADMM C[C@H](CNC(=O)CCCc1cccs1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574918504 948852127 /nfs/dbraw/zinc/85/21/27/948852127.db2.gz LTOMJMNWYSEDER-LBPRGKRZSA-N -1 1 386.485 1.905 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001573762317 948856262 /nfs/dbraw/zinc/85/62/62/948856262.db2.gz SSQGWARHLNTMBF-SECBINFHSA-N -1 1 384.366 1.506 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001573762317 948856286 /nfs/dbraw/zinc/85/62/86/948856286.db2.gz SSQGWARHLNTMBF-SECBINFHSA-N -1 1 384.366 1.506 20 0 GDADMM CC(C)c1nc(C(=O)N(C)[C@@H](C)CNc2cncc(-c3nnn[n-]3)n2)cs1 ZINC001574424775 948864596 /nfs/dbraw/zinc/86/45/96/948864596.db2.gz VAHGCJHOSKRVNW-JTQLQIEISA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)c1nc(C(=O)N(C)[C@@H](C)CNc2cncc(-c3nn[n-]n3)n2)cs1 ZINC001574424775 948864623 /nfs/dbraw/zinc/86/46/23/948864623.db2.gz VAHGCJHOSKRVNW-JTQLQIEISA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)[C@@H]1CCCCO1 ZINC001573763772 948876617 /nfs/dbraw/zinc/87/66/17/948876617.db2.gz HFHHWJWQVACBLX-OCCSQVGLSA-N -1 1 386.460 1.265 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)[C@@H]1CCCCO1 ZINC001573763772 948876627 /nfs/dbraw/zinc/87/66/27/948876627.db2.gz HFHHWJWQVACBLX-OCCSQVGLSA-N -1 1 386.460 1.265 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1nccnc1-c1nnn[n-]1)C2 ZINC001575233087 948877105 /nfs/dbraw/zinc/87/71/05/948877105.db2.gz GSEZUOKDALDCGR-AXFHLTTASA-N -1 1 378.387 1.176 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1nccnc1-c1nn[n-]n1)C2 ZINC001575233087 948877120 /nfs/dbraw/zinc/87/71/20/948877120.db2.gz GSEZUOKDALDCGR-AXFHLTTASA-N -1 1 378.387 1.176 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)c1cnn(C)c1 ZINC001574684712 948883802 /nfs/dbraw/zinc/88/38/02/948883802.db2.gz LJJLGGHULOUMTA-SSDOTTSWSA-N -1 1 381.853 1.331 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)c1cnn(C)c1 ZINC001574684712 948883823 /nfs/dbraw/zinc/88/38/23/948883823.db2.gz LJJLGGHULOUMTA-SSDOTTSWSA-N -1 1 381.853 1.331 20 0 GDADMM CC(C)(C(=O)N1CC[C@H]2[C@@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001573764290 948886835 /nfs/dbraw/zinc/88/68/35/948886835.db2.gz LTAUJSYQJORBJN-JSGCOSHPSA-N -1 1 382.472 1.520 20 0 GDADMM CC(F)(F)CC(=O)N[C@H]1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575233556 948888195 /nfs/dbraw/zinc/88/81/95/948888195.db2.gz LJRWSBSWBHSEML-MNOVXSKESA-N -1 1 380.403 1.211 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C)s1 ZINC001574427151 948899771 /nfs/dbraw/zinc/89/97/71/948899771.db2.gz ASWPSUPXPKKLHS-ZYHUDNBSSA-N -1 1 399.484 1.491 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C)s1 ZINC001574427151 948899786 /nfs/dbraw/zinc/89/97/86/948899786.db2.gz ASWPSUPXPKKLHS-ZYHUDNBSSA-N -1 1 399.484 1.491 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001575235164 948911384 /nfs/dbraw/zinc/91/13/84/948911384.db2.gz TYWVJGJEVZFDAE-QJPTWQEYSA-N -1 1 392.414 1.423 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001575235164 948911398 /nfs/dbraw/zinc/91/13/98/948911398.db2.gz TYWVJGJEVZFDAE-QJPTWQEYSA-N -1 1 392.414 1.423 20 0 GDADMM CC(C)[C@@]1(C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001574088234 948915373 /nfs/dbraw/zinc/91/53/73/948915373.db2.gz DWSOJSJGNYDNMX-SSHHRWTQSA-N -1 1 382.472 1.519 20 0 GDADMM CC(C)[C@@]1(C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001574088234 948915386 /nfs/dbraw/zinc/91/53/86/948915386.db2.gz DWSOJSJGNYDNMX-SSHHRWTQSA-N -1 1 382.472 1.519 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)c1ccnn1C ZINC001574685657 948915806 /nfs/dbraw/zinc/91/58/06/948915806.db2.gz YMVBLNGHQAINMC-ZETCQYMHSA-N -1 1 381.853 1.331 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)c1ccnn1C ZINC001574685657 948915819 /nfs/dbraw/zinc/91/58/19/948915819.db2.gz YMVBLNGHQAINMC-ZETCQYMHSA-N -1 1 381.853 1.331 20 0 GDADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@H]1CCCCO1 ZINC001574685669 948915865 /nfs/dbraw/zinc/91/58/65/948915865.db2.gz YTPNCXUZFIRCBI-RKDXNWHRSA-N -1 1 385.881 1.852 20 0 GDADMM CC(F)(F)CCC(=O)NC1(C)CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001575235508 948919308 /nfs/dbraw/zinc/91/93/08/948919308.db2.gz NCXIELQKRXFFKD-UHFFFAOYSA-N -1 1 380.403 1.567 20 0 GDADMM CC(F)(F)CCC(=O)NC1(C)CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001575235508 948919313 /nfs/dbraw/zinc/91/93/13/948919313.db2.gz NCXIELQKRXFFKD-UHFFFAOYSA-N -1 1 380.403 1.567 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@]2(C)C1)C(F)F ZINC001573765817 948926756 /nfs/dbraw/zinc/92/67/56/948926756.db2.gz JYUDKSOQFVHZIP-QGHHPUGFSA-N -1 1 392.414 1.233 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@]2(C)C1)C(F)F ZINC001573765817 948926760 /nfs/dbraw/zinc/92/67/60/948926760.db2.gz JYUDKSOQFVHZIP-QGHHPUGFSA-N -1 1 392.414 1.233 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2)C1CC1 ZINC001573771047 948933651 /nfs/dbraw/zinc/93/36/51/948933651.db2.gz AGSMOWSGBQRFGB-CYBMUJFWSA-N -1 1 382.472 1.568 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)C(F)F ZINC001573771490 948942442 /nfs/dbraw/zinc/94/24/42/948942442.db2.gz IVWQVQRCEMUNMB-UWVGGRQHSA-N -1 1 380.403 1.787 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)C(F)F ZINC001573771490 948942458 /nfs/dbraw/zinc/94/24/58/948942458.db2.gz IVWQVQRCEMUNMB-UWVGGRQHSA-N -1 1 380.403 1.787 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)C1CCC1 ZINC001573771695 948944439 /nfs/dbraw/zinc/94/44/39/948944439.db2.gz LBMBFFDNDMSCCM-GXTWGEPZSA-N -1 1 384.488 1.602 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2)C1CC1 ZINC001573771868 948946661 /nfs/dbraw/zinc/94/66/61/948946661.db2.gz MWJFGKVWUGVRKM-CQSZACIVSA-N -1 1 382.472 1.568 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2)C1CC1 ZINC001573771868 948946675 /nfs/dbraw/zinc/94/66/75/948946675.db2.gz MWJFGKVWUGVRKM-CQSZACIVSA-N -1 1 382.472 1.568 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575238402 948955329 /nfs/dbraw/zinc/95/53/29/948955329.db2.gz MIFNNGCMNYKKQL-WDEREUQCSA-N -1 1 380.403 1.931 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575238402 948955341 /nfs/dbraw/zinc/95/53/41/948955341.db2.gz MIFNNGCMNYKKQL-WDEREUQCSA-N -1 1 380.403 1.931 20 0 GDADMM CC(C)c1ncsc1C(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574433471 948961418 /nfs/dbraw/zinc/96/14/18/948961418.db2.gz OOBNGAFBMYUFHA-UHFFFAOYSA-N -1 1 385.457 1.199 20 0 GDADMM CC(C)c1ncsc1C(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574433471 948961429 /nfs/dbraw/zinc/96/14/29/948961429.db2.gz OOBNGAFBMYUFHA-UHFFFAOYSA-N -1 1 385.457 1.199 20 0 GDADMM CC(F)(F)CCC(=O)NC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575239853 948964407 /nfs/dbraw/zinc/96/44/07/948964407.db2.gz WLTQNSSAMCRYOK-NSHDSACASA-N -1 1 380.403 1.425 20 0 GDADMM CC(F)(F)CCC(=O)NC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575239853 948964414 /nfs/dbraw/zinc/96/44/14/948964414.db2.gz WLTQNSSAMCRYOK-NSHDSACASA-N -1 1 380.403 1.425 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573772891 948970193 /nfs/dbraw/zinc/97/01/93/948970193.db2.gz XWWCRLFZXSSDLQ-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)c1ncsc1C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574434173 948975803 /nfs/dbraw/zinc/97/58/03/948975803.db2.gz YLPZFTPLFPSKFJ-SNVBAGLBSA-N -1 1 385.457 1.563 20 0 GDADMM CC(C)c1ncsc1C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574434173 948975811 /nfs/dbraw/zinc/97/58/11/948975811.db2.gz YLPZFTPLFPSKFJ-SNVBAGLBSA-N -1 1 385.457 1.563 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)C1(C(F)(F)F)CCC1 ZINC001574689492 948982827 /nfs/dbraw/zinc/98/28/27/948982827.db2.gz GYDGGADHJSPBAB-VIFPVBQESA-N -1 1 384.366 1.696 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)C1(C(F)(F)F)CCC1 ZINC001574689492 948982839 /nfs/dbraw/zinc/98/28/39/948982839.db2.gz GYDGGADHJSPBAB-VIFPVBQESA-N -1 1 384.366 1.696 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)NCCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574091040 949001191 /nfs/dbraw/zinc/00/11/91/949001191.db2.gz MPJSWNIVPJXVMH-CABCVRRESA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)NCCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574091040 949001204 /nfs/dbraw/zinc/00/12/04/949001204.db2.gz MPJSWNIVPJXVMH-CABCVRRESA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)N1CCC(CCNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574091919 949040462 /nfs/dbraw/zinc/04/04/62/949040462.db2.gz MUHGUJOIWIYIDT-HUUCEWRRSA-N -1 1 384.488 1.411 20 0 GDADMM CC(C)(C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CC1)c1cccnc1 ZINC001573778971 949049039 /nfs/dbraw/zinc/04/90/39/949049039.db2.gz AXKGPOTVRUYVLX-UHFFFAOYSA-N -1 1 379.428 1.090 20 0 GDADMM CC(C)(C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CC1)c1cccnc1 ZINC001573778971 949049056 /nfs/dbraw/zinc/04/90/56/949049056.db2.gz AXKGPOTVRUYVLX-UHFFFAOYSA-N -1 1 379.428 1.090 20 0 GDADMM CC(C)c1nocc1C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574441072 949049228 /nfs/dbraw/zinc/04/92/28/949049228.db2.gz AUFVZOPCDCOCOZ-LLVKDONJSA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1nocc1C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574441072 949049248 /nfs/dbraw/zinc/04/92/48/949049248.db2.gz AUFVZOPCDCOCOZ-LLVKDONJSA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1nocc1C(=O)N(C)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574441068 949049622 /nfs/dbraw/zinc/04/96/22/949049622.db2.gz ATNXQXGITGLHGA-LLVKDONJSA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1nocc1C(=O)N(C)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574441068 949049642 /nfs/dbraw/zinc/04/96/42/949049642.db2.gz ATNXQXGITGLHGA-LLVKDONJSA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1)C1CCC1 ZINC001573778984 949050081 /nfs/dbraw/zinc/05/00/81/949050081.db2.gz BMUWIHLFJCLJQB-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1)C1CCC1 ZINC001573778984 949050099 /nfs/dbraw/zinc/05/00/99/949050099.db2.gz BMUWIHLFJCLJQB-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCCCN1c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001573779673 949068766 /nfs/dbraw/zinc/06/87/66/949068766.db2.gz LTLBEPZYGAWRJB-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCCCN1c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001573779673 949068783 /nfs/dbraw/zinc/06/87/83/949068783.db2.gz LTLBEPZYGAWRJB-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)c1occc1C(=O)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574441685 949073941 /nfs/dbraw/zinc/07/39/41/949073941.db2.gz SDZILZRLUQSJJG-GFCCVEGCSA-N -1 1 382.428 1.369 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1)C1CCC1 ZINC001573780020 949078226 /nfs/dbraw/zinc/07/82/26/949078226.db2.gz PUKWZSQDTUNEOT-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1)C1CCC1 ZINC001573780020 949078245 /nfs/dbraw/zinc/07/82/45/949078245.db2.gz PUKWZSQDTUNEOT-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)c1cnccn1 ZINC001574694598 949082851 /nfs/dbraw/zinc/08/28/51/949082851.db2.gz SHDCQOBDVIUFPN-SSDOTTSWSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)c1cnccn1 ZINC001574694598 949082869 /nfs/dbraw/zinc/08/28/69/949082869.db2.gz SHDCQOBDVIUFPN-SSDOTTSWSA-N -1 1 379.837 1.387 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@H](Nc1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001574441990 949084505 /nfs/dbraw/zinc/08/45/05/949084505.db2.gz IBTBNESIADLQBA-LBPRGKRZSA-N -1 1 385.432 1.635 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@H](Nc1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001574441990 949084525 /nfs/dbraw/zinc/08/45/25/949084525.db2.gz IBTBNESIADLQBA-LBPRGKRZSA-N -1 1 385.432 1.635 20 0 GDADMM CC(C)c1nocc1C(=O)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574441949 949084636 /nfs/dbraw/zinc/08/46/36/949084636.db2.gz GSEJHCRJVQLLFN-LLVKDONJSA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1nocc1C(=O)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574441949 949084656 /nfs/dbraw/zinc/08/46/56/949084656.db2.gz GSEJHCRJVQLLFN-LLVKDONJSA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1nocc1C(=O)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001574442023 949089208 /nfs/dbraw/zinc/08/92/08/949089208.db2.gz JWLKONFWICBKHN-LLVKDONJSA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1nocc1C(=O)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001574442023 949089226 /nfs/dbraw/zinc/08/92/26/949089226.db2.gz JWLKONFWICBKHN-LLVKDONJSA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1)C1CCC1 ZINC001573780431 949096907 /nfs/dbraw/zinc/09/69/07/949096907.db2.gz ZAJGUKZTITWADZ-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)c1nocc1C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001574443145 949105223 /nfs/dbraw/zinc/10/52/23/949105223.db2.gz VHERTTFZDYALMM-LLVKDONJSA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1nocc1C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001574443145 949105237 /nfs/dbraw/zinc/10/52/37/949105237.db2.gz VHERTTFZDYALMM-LLVKDONJSA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@@H](C)CCNc2nccnc2-c2nnn[n-]2)n1 ZINC001574695567 949111043 /nfs/dbraw/zinc/11/10/43/949111043.db2.gz ICZUPLUJHLWKQC-LBPRGKRZSA-N -1 1 381.444 1.796 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@@H](C)CCNc2nccnc2-c2nn[n-]n2)n1 ZINC001574695567 949111056 /nfs/dbraw/zinc/11/10/56/949111056.db2.gz ICZUPLUJHLWKQC-LBPRGKRZSA-N -1 1 381.444 1.796 20 0 GDADMM CC(C)[C@@]1(C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001574093704 949114481 /nfs/dbraw/zinc/11/44/81/949114481.db2.gz YBCABDSHZZAAFI-SSHHRWTQSA-N -1 1 382.472 1.519 20 0 GDADMM CC(C)[C@@]1(C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001574093704 949114496 /nfs/dbraw/zinc/11/44/96/949114496.db2.gz YBCABDSHZZAAFI-SSHHRWTQSA-N -1 1 382.472 1.519 20 0 GDADMM CC(C)c1occc1C(=O)NCC1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574445797 949115392 /nfs/dbraw/zinc/11/53/92/949115392.db2.gz DCSRYSXSRYNSFZ-UHFFFAOYSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1occc1C(=O)NCC1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574445797 949115407 /nfs/dbraw/zinc/11/54/07/949115407.db2.gz DCSRYSXSRYNSFZ-UHFFFAOYSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1occc1C(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001574445789 949115673 /nfs/dbraw/zinc/11/56/73/949115673.db2.gz DBFDJHDOXXXGKC-GFCCVEGCSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1ocnc1C(=O)N(C)CCCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574446253 949123095 /nfs/dbraw/zinc/12/30/95/949123095.db2.gz LDRZURIFGFWEEU-UHFFFAOYSA-N -1 1 385.432 1.367 20 0 GDADMM CC(C)c1ocnc1C(=O)N(C)CCCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574446253 949123109 /nfs/dbraw/zinc/12/31/09/949123109.db2.gz LDRZURIFGFWEEU-UHFFFAOYSA-N -1 1 385.432 1.367 20 0 GDADMM CC(C)c1occc1C(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001574446205 949124007 /nfs/dbraw/zinc/12/40/07/949124007.db2.gz JVWKRFGNIHYBRF-UHFFFAOYSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1occc1C(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001574446205 949124014 /nfs/dbraw/zinc/12/40/14/949124014.db2.gz JVWKRFGNIHYBRF-UHFFFAOYSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)(C(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1 ZINC001573782545 949124309 /nfs/dbraw/zinc/12/43/09/949124309.db2.gz CAZQNNNBFUYYNF-CTYIDZIISA-N -1 1 392.467 1.941 20 0 GDADMM CC(C)(C(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1 ZINC001573782545 949124319 /nfs/dbraw/zinc/12/43/19/949124319.db2.gz CAZQNNNBFUYYNF-CTYIDZIISA-N -1 1 392.467 1.941 20 0 GDADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H](C)NC(=O)C(C)(C)C1CCOCC1 ZINC001575251061 949125382 /nfs/dbraw/zinc/12/53/82/949125382.db2.gz KQGZGJBSGGFDLJ-NEPJUHHUSA-N -1 1 388.476 1.415 20 0 GDADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)C(C)(C)C1CCOCC1 ZINC001575251061 949125394 /nfs/dbraw/zinc/12/53/94/949125394.db2.gz KQGZGJBSGGFDLJ-NEPJUHHUSA-N -1 1 388.476 1.415 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1scnc1Cl ZINC001574696252 949126974 /nfs/dbraw/zinc/12/69/74/949126974.db2.gz OMCFBMVPPHWJAU-SSDOTTSWSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1scnc1Cl ZINC001574696252 949126985 /nfs/dbraw/zinc/12/69/85/949126985.db2.gz OMCFBMVPPHWJAU-SSDOTTSWSA-N -1 1 379.837 1.387 20 0 GDADMM CC(C)(C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccccc1 ZINC001573782650 949127094 /nfs/dbraw/zinc/12/70/94/949127094.db2.gz GNHBSTWVJDJAEN-CTYIDZIISA-N -1 1 392.467 1.941 20 0 GDADMM CC(C)(C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccccc1 ZINC001573782650 949127112 /nfs/dbraw/zinc/12/71/12/949127112.db2.gz GNHBSTWVJDJAEN-CTYIDZIISA-N -1 1 392.467 1.941 20 0 GDADMM CC(C)(C(=O)NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1)C1CCCC1 ZINC001573782726 949128110 /nfs/dbraw/zinc/12/81/10/949128110.db2.gz WMOVQIAXVLODEQ-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1)C1CCCC1 ZINC001573782726 949128120 /nfs/dbraw/zinc/12/81/20/949128120.db2.gz WMOVQIAXVLODEQ-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)c1occc1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1 ZINC001574446429 949128719 /nfs/dbraw/zinc/12/87/19/949128719.db2.gz PVSUQANBYAOXIA-RYUDHWBXSA-N -1 1 380.412 1.476 20 0 GDADMM CC(C)c1occc1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1 ZINC001574446429 949128734 /nfs/dbraw/zinc/12/87/34/949128734.db2.gz PVSUQANBYAOXIA-RYUDHWBXSA-N -1 1 380.412 1.476 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1 ZINC001573782983 949138945 /nfs/dbraw/zinc/13/89/45/949138945.db2.gz QKPBFQHXQNLWLW-OAHLLOKOSA-N -1 1 392.467 1.720 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1 ZINC001573782983 949138962 /nfs/dbraw/zinc/13/89/62/949138962.db2.gz QKPBFQHXQNLWLW-OAHLLOKOSA-N -1 1 392.467 1.720 20 0 GDADMM CC(C)c1ocnc1C(=O)NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574446953 949145043 /nfs/dbraw/zinc/14/50/43/949145043.db2.gz CMRGCGLSASEZKU-UHFFFAOYSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1ocnc1C(=O)NCC1CC(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574446953 949145058 /nfs/dbraw/zinc/14/50/58/949145058.db2.gz CMRGCGLSASEZKU-UHFFFAOYSA-N -1 1 383.416 1.389 20 0 GDADMM C[C@H](NC(=O)C1(c2ccccc2)CCC1)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575251657 949145626 /nfs/dbraw/zinc/14/56/26/949145626.db2.gz BVZNWDNJLZGTTP-KBPBESRZSA-N -1 1 392.467 1.506 20 0 GDADMM C[C@H](CNC(=O)COc1ccccc1Cl)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574934345 949156537 /nfs/dbraw/zinc/15/65/37/949156537.db2.gz FSBJHUJHTRMVGY-SNVBAGLBSA-N -1 1 388.819 1.306 20 0 GDADMM C[C@H](CNC(=O)COc1ccccc1Cl)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574934345 949156548 /nfs/dbraw/zinc/15/65/48/949156548.db2.gz FSBJHUJHTRMVGY-SNVBAGLBSA-N -1 1 388.819 1.306 20 0 GDADMM C[C@@H](CNC(=O)COc1cccc(Cl)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574934472 949164070 /nfs/dbraw/zinc/16/40/70/949164070.db2.gz IWJCAGADOYHWIW-JTQLQIEISA-N -1 1 388.819 1.306 20 0 GDADMM C[C@@H](CNC(=O)COc1cccc(Cl)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574934472 949164083 /nfs/dbraw/zinc/16/40/83/949164083.db2.gz IWJCAGADOYHWIW-JTQLQIEISA-N -1 1 388.819 1.306 20 0 GDADMM C[C@@H](NC(=O)C1(C(F)(F)F)CCC1)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575253512 949189778 /nfs/dbraw/zinc/18/97/78/949189778.db2.gz UMIVDJTYDSOQPR-RKDXNWHRSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](NC(=O)C1(C(F)(F)F)CCC1)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575253512 949189771 /nfs/dbraw/zinc/18/97/71/949189771.db2.gz UMIVDJTYDSOQPR-RKDXNWHRSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](C)NC(=O)C1(c2ccccc2)CC1 ZINC001575253605 949193260 /nfs/dbraw/zinc/19/32/60/949193260.db2.gz KZDVGFKZNUGHDJ-OLZOCXBDSA-N -1 1 378.440 1.694 20 0 GDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](C)NC(=O)C1(c2ccccc2)CC1 ZINC001575253605 949193276 /nfs/dbraw/zinc/19/32/76/949193276.db2.gz KZDVGFKZNUGHDJ-OLZOCXBDSA-N -1 1 378.440 1.694 20 0 GDADMM CC(C)c1oncc1C(=O)N1CC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574449458 949202317 /nfs/dbraw/zinc/20/23/17/949202317.db2.gz SLUFXYRFVJSOKG-NSHDSACASA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1oncc1C(=O)N1CC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574449458 949202332 /nfs/dbraw/zinc/20/23/32/949202332.db2.gz SLUFXYRFVJSOKG-NSHDSACASA-N -1 1 383.416 1.119 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)C1CCOCC1)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575254480 949202629 /nfs/dbraw/zinc/20/26/29/949202629.db2.gz WEEMFFSBKXUXJN-VXGBXAGGSA-N -1 1 388.476 1.415 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)C1CCOCC1)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575254480 949202645 /nfs/dbraw/zinc/20/26/45/949202645.db2.gz WEEMFFSBKXUXJN-VXGBXAGGSA-N -1 1 388.476 1.415 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(Cl)s1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574935607 949206806 /nfs/dbraw/zinc/20/68/06/949206806.db2.gz DHLUKRVAGFLKMC-VIFPVBQESA-N -1 1 392.876 1.779 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(Cl)s1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574935607 949206822 /nfs/dbraw/zinc/20/68/22/949206822.db2.gz DHLUKRVAGFLKMC-VIFPVBQESA-N -1 1 392.876 1.779 20 0 GDADMM C[C@@H]1CCC[C@@]1(C)C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001576151217 949209961 /nfs/dbraw/zinc/20/99/61/949209961.db2.gz DQXKGGNWBOPLEI-SJKOYZFVSA-N -1 1 390.513 1.417 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)c1ccccc1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575254763 949214427 /nfs/dbraw/zinc/21/44/27/949214427.db2.gz XOEGMRNFWSRWPD-QWHCGFSZSA-N -1 1 380.456 1.940 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)c1ccccc1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575254763 949214448 /nfs/dbraw/zinc/21/44/48/949214448.db2.gz XOEGMRNFWSRWPD-QWHCGFSZSA-N -1 1 380.456 1.940 20 0 GDADMM C[C@H]1CCC[C@@]1(C)C(=O)NCC1=CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576151257 949217486 /nfs/dbraw/zinc/21/74/86/949217486.db2.gz FJPQOKYRFOUJMY-ORAYPTAESA-N -1 1 382.472 1.736 20 0 GDADMM C[C@H]1CCC[C@@]1(C)C(=O)NCC1=CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576151257 949217508 /nfs/dbraw/zinc/21/75/08/949217508.db2.gz FJPQOKYRFOUJMY-ORAYPTAESA-N -1 1 382.472 1.736 20 0 GDADMM CC(C)c1scnc1C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574451264 949221446 /nfs/dbraw/zinc/22/14/46/949221446.db2.gz JEBUMLGTOLRKCW-SNVBAGLBSA-N -1 1 385.457 1.563 20 0 GDADMM CC(C)c1scnc1C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574451264 949221467 /nfs/dbraw/zinc/22/14/67/949221467.db2.gz JEBUMLGTOLRKCW-SNVBAGLBSA-N -1 1 385.457 1.563 20 0 GDADMM CC(C)c1oncc1C(=O)NCC1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574451551 949235519 /nfs/dbraw/zinc/23/55/19/949235519.db2.gz SAPHZMCRRYLOTM-UHFFFAOYSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1oncc1C(=O)NCC1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574451551 949235538 /nfs/dbraw/zinc/23/55/38/949235538.db2.gz SAPHZMCRRYLOTM-UHFFFAOYSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1ccc(-c2nnn[n-]2)nn1 ZINC001573792346 949241941 /nfs/dbraw/zinc/24/19/41/949241941.db2.gz OKFYYMIDCLPJLY-JLNYLFASSA-N -1 1 382.472 1.376 20 0 GDADMM CC(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1ccc(-c2nn[n-]n2)nn1 ZINC001573792346 949241961 /nfs/dbraw/zinc/24/19/61/949241961.db2.gz OKFYYMIDCLPJLY-JLNYLFASSA-N -1 1 382.472 1.376 20 0 GDADMM CC(C)(C)C(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1cncc(-c2nnn[n-]2)n1 ZINC001573792309 949244929 /nfs/dbraw/zinc/24/49/29/949244929.db2.gz NJJFROZXIWPKAP-XPCVCDNBSA-N -1 1 382.472 1.376 20 0 GDADMM CC(C)(C)C(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1cncc(-c2nn[n-]n2)n1 ZINC001573792309 949244954 /nfs/dbraw/zinc/24/49/54/949244954.db2.gz NJJFROZXIWPKAP-XPCVCDNBSA-N -1 1 382.472 1.376 20 0 GDADMM C[C@@H](NC(=O)C1CCC(F)(F)CC1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575257593 949279465 /nfs/dbraw/zinc/27/94/65/949279465.db2.gz AXPSDTFJWVHNAW-VHSXEESVSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@@H](NC(=O)C1CCC(F)(F)CC1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575257593 949279479 /nfs/dbraw/zinc/27/94/79/949279479.db2.gz AXPSDTFJWVHNAW-VHSXEESVSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccnc1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574940762 949280454 /nfs/dbraw/zinc/28/04/54/949280454.db2.gz KHPVJOSPQSJZFM-VIFPVBQESA-N -1 1 392.876 1.555 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccnc1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574940762 949280473 /nfs/dbraw/zinc/28/04/73/949280473.db2.gz KHPVJOSPQSJZFM-VIFPVBQESA-N -1 1 392.876 1.555 20 0 GDADMM CC1=C(C)C[C@@H](C(=O)N(CCO)CCNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575860029 949287345 /nfs/dbraw/zinc/28/73/45/949287345.db2.gz BGLMOQFUUURQAN-AWEZNQCLSA-N -1 1 386.460 1.026 20 0 GDADMM CC1=C(C)C[C@@H](C(=O)N(CCO)CCNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575860029 949287365 /nfs/dbraw/zinc/28/73/65/949287365.db2.gz BGLMOQFUUURQAN-AWEZNQCLSA-N -1 1 386.460 1.026 20 0 GDADMM CC1=C(C)C[C@H](C(=O)NC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)C)CC1 ZINC001575860075 949288376 /nfs/dbraw/zinc/28/83/76/949288376.db2.gz CHAVFWWLBKNSGS-CABCVRRESA-N -1 1 384.488 1.768 20 0 GDADMM CC1(C(=O)N(CCO)CCNc2cnc(-c3nnn[n-]3)cn2)CCCCCC1 ZINC001575523402 949294120 /nfs/dbraw/zinc/29/41/20/949294120.db2.gz AJTKYJPXMVEXCT-UHFFFAOYSA-N -1 1 388.476 1.250 20 0 GDADMM CC1(C(=O)N(CCO)CCNc2cnc(-c3nn[n-]n3)cn2)CCCCCC1 ZINC001575523402 949294142 /nfs/dbraw/zinc/29/41/42/949294142.db2.gz AJTKYJPXMVEXCT-UHFFFAOYSA-N -1 1 388.476 1.250 20 0 GDADMM CC(C)CC(=O)N1CCCC[C@H]1[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574108833 949306712 /nfs/dbraw/zinc/30/67/12/949306712.db2.gz RSEQHNBQQDMLGR-ZBFHGGJFSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CC(=O)N1CCCC[C@H]1[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574108833 949306732 /nfs/dbraw/zinc/30/67/32/949306732.db2.gz RSEQHNBQQDMLGR-ZBFHGGJFSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](CN(C)C(=O)C1(C(F)(F)F)CCC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574703183 949315149 /nfs/dbraw/zinc/31/51/49/949315149.db2.gz SPXKGMNNUDJLEV-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](CN(C)C(=O)C1(C(F)(F)F)CCC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574703183 949315174 /nfs/dbraw/zinc/31/51/74/949315174.db2.gz SPXKGMNNUDJLEV-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H]1CCC[C@@H]1CC(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001576154146 949319173 /nfs/dbraw/zinc/31/91/73/949319173.db2.gz CDWCKOQHJORPIG-CHWSQXEVSA-N -1 1 390.513 1.417 20 0 GDADMM C[C@@H](CN(C)C(=O)C1(Cc2ccccc2)CC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574703771 949345563 /nfs/dbraw/zinc/34/55/63/949345563.db2.gz YCBADWSQGYNVNH-AWEZNQCLSA-N -1 1 392.467 1.938 20 0 GDADMM C[C@@H](CN(C)C(=O)C1(Cc2ccccc2)CC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574703771 949345585 /nfs/dbraw/zinc/34/55/85/949345585.db2.gz YCBADWSQGYNVNH-AWEZNQCLSA-N -1 1 392.467 1.938 20 0 GDADMM CC(C)n1ccc(C(=O)NCC2CC(Nc3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001574458656 949345834 /nfs/dbraw/zinc/34/58/34/949345834.db2.gz WJSCEGBYCZVATC-UHFFFAOYSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1ccc(C(=O)NCC2CC(Nc3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001574458656 949345853 /nfs/dbraw/zinc/34/58/53/949345853.db2.gz WJSCEGBYCZVATC-UHFFFAOYSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)(C)C(=O)N1CCO[C@H](CNc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573797056 949350950 /nfs/dbraw/zinc/35/09/50/949350950.db2.gz ZGEWSQXWGFTUML-MRVPVSSYSA-N -1 1 385.881 1.662 20 0 GDADMM CC(C)(C)C(=O)N1CCO[C@H](CNc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573797056 949350971 /nfs/dbraw/zinc/35/09/71/949350971.db2.gz ZGEWSQXWGFTUML-MRVPVSSYSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](NC(=O)C1=COCCO1)[C@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575260881 949365487 /nfs/dbraw/zinc/36/54/87/949365487.db2.gz YEZVTSQIGSKIJX-RQJHMYQMSA-N -1 1 385.837 1.170 20 0 GDADMM CC(C)(C)C(=O)N[C@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C[C@H]1O ZINC001573799388 949367227 /nfs/dbraw/zinc/36/72/27/949367227.db2.gz LZZTZGAPSUGKTF-JGVFFNPUSA-N -1 1 385.881 1.079 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574463816 949380337 /nfs/dbraw/zinc/38/03/37/949380337.db2.gz BODPQANAYFQJIR-SFHVURJKSA-N -1 1 381.444 1.438 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574463816 949380355 /nfs/dbraw/zinc/38/03/55/949380355.db2.gz BODPQANAYFQJIR-SFHVURJKSA-N -1 1 381.444 1.438 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCCF ZINC001576155085 949382239 /nfs/dbraw/zinc/38/22/39/949382239.db2.gz GJNFDVJFVPUUDY-SJCJKPOMSA-N -1 1 376.440 1.883 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCCF ZINC001576155085 949382264 /nfs/dbraw/zinc/38/22/64/949382264.db2.gz GJNFDVJFVPUUDY-SJCJKPOMSA-N -1 1 376.440 1.883 20 0 GDADMM C[C@H](CNC(=O)Cc1ncc[nH]1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001574944863 949400465 /nfs/dbraw/zinc/40/04/65/949400465.db2.gz HNUILMIWPIMAAC-SSDOTTSWSA-N -1 1 381.853 1.107 20 0 GDADMM C[C@H](CNC(=O)Cc1ncc[nH]1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001574944863 949400480 /nfs/dbraw/zinc/40/04/80/949400480.db2.gz HNUILMIWPIMAAC-SSDOTTSWSA-N -1 1 381.853 1.107 20 0 GDADMM CC(C)n1cccc1C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1 ZINC001574465199 949433508 /nfs/dbraw/zinc/43/35/08/949433508.db2.gz SIHGRULQRZWHPE-STQMWFEESA-N -1 1 379.428 1.142 20 0 GDADMM CC(C)n1cccc1C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1 ZINC001574465199 949433527 /nfs/dbraw/zinc/43/35/27/949433527.db2.gz SIHGRULQRZWHPE-STQMWFEESA-N -1 1 379.428 1.142 20 0 GDADMM C[C@H](CNC(=O)Cc1ncc[nH]1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574946339 949435581 /nfs/dbraw/zinc/43/55/81/949435581.db2.gz VETUFUXRTUJPKQ-SSDOTTSWSA-N -1 1 381.853 1.107 20 0 GDADMM C[C@H](CNC(=O)Cc1ncc[nH]1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574946339 949435590 /nfs/dbraw/zinc/43/55/90/949435590.db2.gz VETUFUXRTUJPKQ-SSDOTTSWSA-N -1 1 381.853 1.107 20 0 GDADMM CC(C)n1cccc1C(=O)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574465632 949442625 /nfs/dbraw/zinc/44/26/25/949442625.db2.gz UCGXSFSRRNRSAH-UHFFFAOYSA-N -1 1 381.444 1.392 20 0 GDADMM CC(C)n1cccc1C(=O)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574465632 949442639 /nfs/dbraw/zinc/44/26/39/949442639.db2.gz UCGXSFSRRNRSAH-UHFFFAOYSA-N -1 1 381.444 1.392 20 0 GDADMM CC(C)(C)C(=O)NC[C@@H]1c2ccccc2CCN1c1nccnc1-c1nnn[n-]1 ZINC001573803497 949445382 /nfs/dbraw/zinc/44/53/82/949445382.db2.gz QHLJODHGXFDIHC-OAHLLOKOSA-N -1 1 392.467 1.923 20 0 GDADMM CC(C)(C)C(=O)NC[C@@H]1c2ccccc2CCN1c1nccnc1-c1nn[n-]n1 ZINC001573803497 949445387 /nfs/dbraw/zinc/44/53/87/949445387.db2.gz QHLJODHGXFDIHC-OAHLLOKOSA-N -1 1 392.467 1.923 20 0 GDADMM C[C@@H](NC(=O)CC(F)(F)F)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575265278 949448103 /nfs/dbraw/zinc/44/81/03/949448103.db2.gz SZUXWJAYZQJDPN-ZJUUUORDSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](NC(=O)CC(F)(F)F)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575265278 949448117 /nfs/dbraw/zinc/44/81/17/949448117.db2.gz SZUXWJAYZQJDPN-ZJUUUORDSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)n1nccc1C(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574469224 949476792 /nfs/dbraw/zinc/47/67/92/949476792.db2.gz YXQMOHJZQVXTNT-UHFFFAOYSA-N -1 1 384.448 1.033 20 0 GDADMM CC(C)n1nccc1C(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574469224 949476802 /nfs/dbraw/zinc/47/68/02/949476802.db2.gz YXQMOHJZQVXTNT-UHFFFAOYSA-N -1 1 384.448 1.033 20 0 GDADMM CC(C)CC(=O)NC[C@H]1c2ccccc2CCN1c1nccnc1-c1nnn[n-]1 ZINC001574117943 949482126 /nfs/dbraw/zinc/48/21/26/949482126.db2.gz BPOHZEVIDAWWTQ-INIZCTEOSA-N -1 1 392.467 1.923 20 0 GDADMM CC(C)CC(=O)NC[C@H]1c2ccccc2CCN1c1nccnc1-c1nn[n-]n1 ZINC001574117943 949482139 /nfs/dbraw/zinc/48/21/39/949482139.db2.gz BPOHZEVIDAWWTQ-INIZCTEOSA-N -1 1 392.467 1.923 20 0 GDADMM C[C@@H](CN(C)C(=O)C1CCC(C2CC2)CC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574708226 949488868 /nfs/dbraw/zinc/48/88/68/949488868.db2.gz UKMCDLCOITZNKS-GRTSSRMGSA-N -1 1 384.488 1.554 20 0 GDADMM C[C@@H](CN(C)C(=O)C1CC2(C1)CCOCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574708833 949499324 /nfs/dbraw/zinc/49/93/24/949499324.db2.gz XOIRYIPLXHEAII-LBPRGKRZSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](CN(C)C(=O)C1CC2(C1)CCOCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574708833 949499335 /nfs/dbraw/zinc/49/93/35/949499335.db2.gz XOIRYIPLXHEAII-LBPRGKRZSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](NC(=O)CC1(C(F)(F)F)CC1)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575267300 949499740 /nfs/dbraw/zinc/49/97/40/949499740.db2.gz HWBCNZKFIWFWMF-RKDXNWHRSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](NC(=O)CC1(C(F)(F)F)CC1)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575267300 949499756 /nfs/dbraw/zinc/49/97/56/949499756.db2.gz HWBCNZKFIWFWMF-RKDXNWHRSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@H](NC(=O)CC1(C(F)(F)F)CC1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575267299 949500707 /nfs/dbraw/zinc/50/07/07/949500707.db2.gz HWBCNZKFIWFWMF-IUCAKERBSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@H](NC(=O)CC1(C(F)(F)F)CC1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575267299 949500724 /nfs/dbraw/zinc/50/07/24/949500724.db2.gz HWBCNZKFIWFWMF-IUCAKERBSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@H]1CCC[C@@H]1CC(=O)NC1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576158817 949507652 /nfs/dbraw/zinc/50/76/52/949507652.db2.gz UTJWZUCGKMWLOK-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@]1(C(=O)N2CCC[C@@H](CCNc3nccnc3-c3nnn[n-]3)C2)CCOC1 ZINC001575538187 949514183 /nfs/dbraw/zinc/51/41/83/949514183.db2.gz DQQUJBLGURGWJP-UGSOOPFHSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@]1(C(=O)N2CCC[C@@H](CCNc3nccnc3-c3nn[n-]n3)C2)CCOC1 ZINC001575538187 949514195 /nfs/dbraw/zinc/51/41/95/949514195.db2.gz DQQUJBLGURGWJP-UGSOOPFHSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cn[nH]c1 ZINC001576159506 949521730 /nfs/dbraw/zinc/52/17/30/949521730.db2.gz XVNRDOCRIKDDAS-DIFFPNOSSA-N -1 1 382.432 1.171 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cn[nH]c1 ZINC001576159506 949521747 /nfs/dbraw/zinc/52/17/47/949521747.db2.gz XVNRDOCRIKDDAS-DIFFPNOSSA-N -1 1 382.432 1.171 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2(F)CCCCC2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575871955 949524228 /nfs/dbraw/zinc/52/42/28/949524228.db2.gz DCZITQJYKQVZIB-OLZOCXBDSA-N -1 1 388.451 1.803 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2(F)CCCCC2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575871955 949524243 /nfs/dbraw/zinc/52/42/43/949524243.db2.gz DCZITQJYKQVZIB-OLZOCXBDSA-N -1 1 388.451 1.803 20 0 GDADMM C[C@H](NC(=O)CCC1(C)CC1)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575268730 949527806 /nfs/dbraw/zinc/52/78/06/949527806.db2.gz OLGRLYKYNBOBCP-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCCC[C@H]1OCC(=O)NCCCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001576163578 949535727 /nfs/dbraw/zinc/53/57/27/949535727.db2.gz CCCHSLHSABVOSU-UONOGXRCSA-N -1 1 388.476 1.195 20 0 GDADMM C[C@H](CC(=O)N(C)C1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001574471886 949541369 /nfs/dbraw/zinc/54/13/69/949541369.db2.gz OOZYQMLPOKOZHE-XNWIYYODSA-N -1 1 384.366 1.647 20 0 GDADMM C[C@H](CC(=O)N(C)C1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001574471886 949541396 /nfs/dbraw/zinc/54/13/96/949541396.db2.gz OOZYQMLPOKOZHE-XNWIYYODSA-N -1 1 384.366 1.647 20 0 GDADMM CC(C)CC(=O)NCc1ccc2c(c1)CN(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001574123429 949561342 /nfs/dbraw/zinc/56/13/42/949561342.db2.gz YOJDFCPDWVHRBK-UHFFFAOYSA-N -1 1 378.440 1.839 20 0 GDADMM CC(C)CC(=O)NCc1ccc2c(c1)CN(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001574123429 949561359 /nfs/dbraw/zinc/56/13/59/949561359.db2.gz YOJDFCPDWVHRBK-UHFFFAOYSA-N -1 1 378.440 1.839 20 0 GDADMM C[C@H]1[C@H](NC(=O)CC2CC(F)(F)C2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575873099 949566286 /nfs/dbraw/zinc/56/62/86/949566286.db2.gz NHJVPTIYXHFDLA-CMPLNLGQSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H]1[C@H](NC(=O)CC2CC(F)(F)C2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575873099 949566297 /nfs/dbraw/zinc/56/62/97/949566297.db2.gz NHJVPTIYXHFDLA-CMPLNLGQSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574955728 949567421 /nfs/dbraw/zinc/56/74/21/949567421.db2.gz DPFPOEXWBWIDEG-FVQBIDKESA-N -1 1 392.467 1.579 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574955729 949567917 /nfs/dbraw/zinc/56/79/17/949567917.db2.gz DPFPOEXWBWIDEG-NUEKZKHPSA-N -1 1 392.467 1.579 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1CCc2ccccc2C1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574712362 949573809 /nfs/dbraw/zinc/57/38/09/949573809.db2.gz RISPQJFYJRQVLR-BBRMVZONSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1CCc2ccccc2C1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574712362 949573822 /nfs/dbraw/zinc/57/38/22/949573822.db2.gz RISPQJFYJRQVLR-BBRMVZONSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC(C)(C)O)[C@@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001576165875 949574030 /nfs/dbraw/zinc/57/40/30/949574030.db2.gz KJLZZEMLSZVPFH-CHWSQXEVSA-N -1 1 388.476 1.247 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC(C)(C)O)[C@@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001576165875 949574046 /nfs/dbraw/zinc/57/40/46/949574046.db2.gz KJLZZEMLSZVPFH-CHWSQXEVSA-N -1 1 388.476 1.247 20 0 GDADMM CC(C)CC(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001574124462 949574806 /nfs/dbraw/zinc/57/48/06/949574806.db2.gz INIJEYIFRJWDIU-GDBMZVCRSA-N -1 1 378.440 1.897 20 0 GDADMM CC(C)CC(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001574124462 949574824 /nfs/dbraw/zinc/57/48/24/949574824.db2.gz INIJEYIFRJWDIU-GDBMZVCRSA-N -1 1 378.440 1.897 20 0 GDADMM CC1(C(=O)N2CCCC[C@]3(CCN(c4ccnc(-c5nn[n-]n5)n4)C3)C2)CC1 ZINC001575544453 949582270 /nfs/dbraw/zinc/58/22/70/949582270.db2.gz CWZCXMHCNOCGIN-LJQANCHMSA-N -1 1 382.472 1.666 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CCC(F)(F)F)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575873673 949587505 /nfs/dbraw/zinc/58/75/05/949587505.db2.gz BKPDQSLSBSFGII-UWVGGRQHSA-N -1 1 384.366 1.473 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CCC(F)(F)F)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575873673 949587520 /nfs/dbraw/zinc/58/75/20/949587520.db2.gz BKPDQSLSBSFGII-UWVGGRQHSA-N -1 1 384.366 1.473 20 0 GDADMM C[C@@H]1CCCC[C@@H]1CC(=O)NCCN(c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001576166799 949594323 /nfs/dbraw/zinc/59/43/23/949594323.db2.gz AHWSVZBIDBTCLM-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCCC[C@@H]1CC(=O)NCCN(c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001576166799 949594347 /nfs/dbraw/zinc/59/43/47/949594347.db2.gz AHWSVZBIDBTCLM-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1COc2ccccc21)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574713846 949614297 /nfs/dbraw/zinc/61/42/97/949614297.db2.gz YJHGHWMYOVJUMV-WCQYABFASA-N -1 1 380.412 1.092 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1COc2ccccc21)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574713846 949614309 /nfs/dbraw/zinc/61/43/09/949614309.db2.gz YJHGHWMYOVJUMV-WCQYABFASA-N -1 1 380.412 1.092 20 0 GDADMM C[C@@]1(C(=O)N2CCCCC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CCOC1 ZINC001575547262 949623385 /nfs/dbraw/zinc/62/33/85/949623385.db2.gz WMHCJZGLRWFJMN-FZKQIMNGSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@@]1(C(=O)N2CCCCC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CCOC1 ZINC001575547262 949623402 /nfs/dbraw/zinc/62/34/02/949623402.db2.gz WMHCJZGLRWFJMN-FZKQIMNGSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@H](CC(=O)N(C)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccco1 ZINC001574476908 949628971 /nfs/dbraw/zinc/62/89/71/949628971.db2.gz LUHBCDHMJRBOSP-CHWSQXEVSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@H](CC(=O)N(C)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574476908 949628980 /nfs/dbraw/zinc/62/89/80/949628980.db2.gz LUHBCDHMJRBOSP-CHWSQXEVSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@@H]1[C@H](NC(=O)COC2CCCC2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575875493 949632613 /nfs/dbraw/zinc/63/26/13/949632613.db2.gz IISOHAQEXUEYSH-TZMCWYRMSA-N -1 1 386.460 1.089 20 0 GDADMM C[C@@H]1[C@H](NC(=O)COC2CCCC2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575875493 949632625 /nfs/dbraw/zinc/63/26/25/949632625.db2.gz IISOHAQEXUEYSH-TZMCWYRMSA-N -1 1 386.460 1.089 20 0 GDADMM C[C@H]1CCCC[C@H]1OCC(=O)N(C)CCN(C)c1nccnc1-c1nnn[n-]1 ZINC001576168549 949643742 /nfs/dbraw/zinc/64/37/42/949643742.db2.gz VGEYYJAXIIZKRR-UONOGXRCSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@H]1CCCC[C@H]1OCC(=O)N(C)CCN(C)c1nccnc1-c1nn[n-]n1 ZINC001576168549 949643755 /nfs/dbraw/zinc/64/37/55/949643755.db2.gz VGEYYJAXIIZKRR-UONOGXRCSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@]1(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)CC2)CCc2ccccc21 ZINC001575548192 949665734 /nfs/dbraw/zinc/66/57/34/949665734.db2.gz TUSQWEGWCHIPND-FQEVSTJZSA-N -1 1 390.451 1.209 20 0 GDADMM C[C@]1(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)CC2)CCc2ccccc21 ZINC001575548192 949665753 /nfs/dbraw/zinc/66/57/53/949665753.db2.gz TUSQWEGWCHIPND-FQEVSTJZSA-N -1 1 390.451 1.209 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)Cc2ccccc2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575879666 949690169 /nfs/dbraw/zinc/69/01/69/949690169.db2.gz RDCGSURTYSTFDK-HIFRSBDPSA-N -1 1 378.440 1.373 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)Cc2ccccc2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575879666 949690186 /nfs/dbraw/zinc/69/01/86/949690186.db2.gz RDCGSURTYSTFDK-HIFRSBDPSA-N -1 1 378.440 1.373 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@@H]1CCCC1(F)F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574716432 949692195 /nfs/dbraw/zinc/69/21/95/949692195.db2.gz OJQSEVWBABAWJG-QWRGUYRKSA-N -1 1 380.403 1.163 20 0 GDADMM CC(C)CC(C)(C)C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001574132361 949695348 /nfs/dbraw/zinc/69/53/48/949695348.db2.gz XYLJTMXGWFVFGD-ZDUSSCGKSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)CC(C)(C)C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001574132361 949695361 /nfs/dbraw/zinc/69/53/61/949695361.db2.gz XYLJTMXGWFVFGD-ZDUSSCGKSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cc(Cl)c[nH]1 ZINC001573818238 949727437 /nfs/dbraw/zinc/72/74/37/949727437.db2.gz ISINLEFPQHWOHB-NSHDSACASA-N -1 1 389.851 1.317 20 0 GDADMM C[C@H](CC(=O)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1)c1ccco1 ZINC001574479326 949731829 /nfs/dbraw/zinc/73/18/29/949731829.db2.gz DSGRIEQKJXDASS-GFCCVEGCSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@H](CC(=O)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1)c1ccco1 ZINC001574479326 949731849 /nfs/dbraw/zinc/73/18/49/949731849.db2.gz DSGRIEQKJXDASS-GFCCVEGCSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@H]1CCCN(C(=O)CCC(F)F)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576170681 949733274 /nfs/dbraw/zinc/73/32/74/949733274.db2.gz NCFXCLRPTZFFMN-JQWIXIFHSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H]1CCCN(C(=O)CCC(F)F)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576170681 949733287 /nfs/dbraw/zinc/73/32/87/949733287.db2.gz NCFXCLRPTZFFMN-JQWIXIFHSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@]1(C(=O)N[C@H](CNc2nccnc2-c2nnn[n-]2)C2CCCC2)CCOC1 ZINC001575558410 949736426 /nfs/dbraw/zinc/73/64/26/949736426.db2.gz PEQBRDZUFCSFLH-ACJLOTCBSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@]1(C(=O)N[C@H](CNc2nccnc2-c2nn[n-]n2)C2CCCC2)CCOC1 ZINC001575558410 949736436 /nfs/dbraw/zinc/73/64/36/949736436.db2.gz PEQBRDZUFCSFLH-ACJLOTCBSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@]1(C(=O)N[C@@H](CNc2nccnc2-c2nnn[n-]2)C2CCCC2)CCOC1 ZINC001575558417 949738534 /nfs/dbraw/zinc/73/85/34/949738534.db2.gz PEQBRDZUFCSFLH-UGSOOPFHSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@]1(C(=O)N[C@@H](CNc2nccnc2-c2nn[n-]n2)C2CCCC2)CCOC1 ZINC001575558417 949738551 /nfs/dbraw/zinc/73/85/51/949738551.db2.gz PEQBRDZUFCSFLH-UGSOOPFHSA-N -1 1 386.460 1.170 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1Cc2ccccc21 ZINC001573818671 949739105 /nfs/dbraw/zinc/73/91/05/949739105.db2.gz NWHRHLJOALBXHI-GDBMZVCRSA-N -1 1 392.467 1.939 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1Cc2ccccc21 ZINC001573818671 949739115 /nfs/dbraw/zinc/73/91/15/949739115.db2.gz NWHRHLJOALBXHI-GDBMZVCRSA-N -1 1 392.467 1.939 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[nH]n2)cn1)NC(=O)c1ncccc1[O-] ZINC001573818718 949739451 /nfs/dbraw/zinc/73/94/51/949739451.db2.gz OPXSVLYVVLBEOX-LBPRGKRZSA-N -1 1 383.416 1.014 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574480126 949741897 /nfs/dbraw/zinc/74/18/97/949741897.db2.gz GYPUCJOQNQDCQK-CHWSQXEVSA-N -1 1 382.428 1.126 20 0 GDADMM C[C@@]1(C(=O)N2C[C@H]3CCN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]3C2)CC=CCC1 ZINC001575559052 949747798 /nfs/dbraw/zinc/74/77/98/949747798.db2.gz UHMYHGWPCMBLNY-QEEYODRMSA-N -1 1 394.483 1.688 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001574480855 949759585 /nfs/dbraw/zinc/75/95/85/949759585.db2.gz KRXRJGHUZXUAHD-KGLIPLIRSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001574480855 949759602 /nfs/dbraw/zinc/75/96/02/949759602.db2.gz KRXRJGHUZXUAHD-KGLIPLIRSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@H]1CCCC[C@H]1C(=O)N1CCC(N(C)c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576171974 949787933 /nfs/dbraw/zinc/78/79/33/949787933.db2.gz RZEZARAZGMRTDI-DZGCQCFKSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CCCC[C@H]1C(=O)N1CCC(N(C)c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576171974 949787956 /nfs/dbraw/zinc/78/79/56/949787956.db2.gz RZEZARAZGMRTDI-DZGCQCFKSA-N -1 1 384.488 1.910 20 0 GDADMM CC1(C(=O)NC2CC(CNc3ccc(-c4nnn[n-]4)nn3)C2)CC(F)(F)C1 ZINC001575560405 949788159 /nfs/dbraw/zinc/78/81/59/949788159.db2.gz PVNKMCNGXYRPLB-UHFFFAOYSA-N -1 1 378.387 1.399 20 0 GDADMM CC1(C(=O)NC2CC(CNc3ccc(-c4nn[n-]n4)nn3)C2)CC(F)(F)C1 ZINC001575560405 949788178 /nfs/dbraw/zinc/78/81/78/949788178.db2.gz PVNKMCNGXYRPLB-UHFFFAOYSA-N -1 1 378.387 1.399 20 0 GDADMM C[C@@H](CN(C)C(=O)CCc1ccc(F)cc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574720788 949805338 /nfs/dbraw/zinc/80/53/38/949805338.db2.gz HEXRKTWLUHOZPN-LBPRGKRZSA-N -1 1 384.419 1.687 20 0 GDADMM C[C@@H](CN(C)C(=O)CCc1ccc(F)cc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574720788 949805360 /nfs/dbraw/zinc/80/53/60/949805360.db2.gz HEXRKTWLUHOZPN-LBPRGKRZSA-N -1 1 384.419 1.687 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC2CCC2)[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576172581 949809375 /nfs/dbraw/zinc/80/93/75/949809375.db2.gz XONSGISQNPZHPK-HIFRSBDPSA-N -1 1 384.488 1.698 20 0 GDADMM CC1(C(=O)N[C@@H]2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CC(F)(F)C1 ZINC001575561613 949811856 /nfs/dbraw/zinc/81/18/56/949811856.db2.gz BMVTWIJMOLVHHL-WDEREUQCSA-N -1 1 392.414 1.931 20 0 GDADMM CC1(C(=O)N[C@@H]2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CC(F)(F)C1 ZINC001575561613 949811864 /nfs/dbraw/zinc/81/18/64/949811864.db2.gz BMVTWIJMOLVHHL-WDEREUQCSA-N -1 1 392.414 1.931 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CC[C@@H]1CCCO1 ZINC001573823222 949817119 /nfs/dbraw/zinc/81/71/19/949817119.db2.gz RTIHCQLGFLQFCN-STQMWFEESA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CC[C@@H]1CCCO1 ZINC001573823222 949817148 /nfs/dbraw/zinc/81/71/48/949817148.db2.gz RTIHCQLGFLQFCN-STQMWFEESA-N -1 1 388.476 1.559 20 0 GDADMM C[C@@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574965856 949822245 /nfs/dbraw/zinc/82/22/45/949822245.db2.gz NMZXYLPFEFAPHZ-CFVMTHIKSA-N -1 1 378.440 1.401 20 0 GDADMM C[C@@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574965856 949822264 /nfs/dbraw/zinc/82/22/64/949822264.db2.gz NMZXYLPFEFAPHZ-CFVMTHIKSA-N -1 1 378.440 1.401 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001574484029 949856590 /nfs/dbraw/zinc/85/65/90/949856590.db2.gz CRSSORYFKNJZTF-NXEZZACHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001574484029 949856607 /nfs/dbraw/zinc/85/66/07/949856607.db2.gz CRSSORYFKNJZTF-NXEZZACHSA-N -1 1 384.366 1.648 20 0 GDADMM CC1(C(=O)NC2CCC(Nc3nccnc3-c3nnn[n-]3)CC2)CC(F)(F)C1 ZINC001575565709 949888963 /nfs/dbraw/zinc/88/89/63/949888963.db2.gz XNJYMLDWIMNZMX-UHFFFAOYSA-N -1 1 392.414 1.931 20 0 GDADMM CC1(C(=O)NC2CCC(Nc3nccnc3-c3nn[n-]n3)CC2)CC(F)(F)C1 ZINC001575565709 949888986 /nfs/dbraw/zinc/88/89/86/949888986.db2.gz XNJYMLDWIMNZMX-UHFFFAOYSA-N -1 1 392.414 1.931 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2cc(Cl)c[nH]2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575886976 949892986 /nfs/dbraw/zinc/89/29/86/949892986.db2.gz NLBGWFCGWAOBTN-GXSJLCMTSA-N -1 1 387.835 1.426 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2cc(Cl)c[nH]2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575886976 949893006 /nfs/dbraw/zinc/89/30/06/949893006.db2.gz NLBGWFCGWAOBTN-GXSJLCMTSA-N -1 1 387.835 1.426 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)c1ccco1 ZINC001574484652 949894064 /nfs/dbraw/zinc/89/40/64/949894064.db2.gz LKMKLHAFKSRPJV-STQMWFEESA-N -1 1 382.428 1.268 20 0 GDADMM CC1(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)CC2(C)C)CCCC1 ZINC001575568917 949902056 /nfs/dbraw/zinc/90/20/56/949902056.db2.gz DJYQWQLYIKNJPS-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)CC2(C)C)CCCC1 ZINC001575568917 949902067 /nfs/dbraw/zinc/90/20/67/949902067.db2.gz DJYQWQLYIKNJPS-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](NC(=O)Cc1cc(C2CC2)no1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575284376 949908811 /nfs/dbraw/zinc/90/88/11/949908811.db2.gz USILHGWYJHAUPG-UWVGGRQHSA-N -1 1 383.416 1.070 20 0 GDADMM C[C@H](NC(=O)Cc1cc(C2CC2)no1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575284376 949908835 /nfs/dbraw/zinc/90/88/35/949908835.db2.gz USILHGWYJHAUPG-UWVGGRQHSA-N -1 1 383.416 1.070 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001574144914 949916654 /nfs/dbraw/zinc/91/66/54/949916654.db2.gz QLDWENXXVWJQKX-UONOGXRCSA-N -1 1 388.476 1.193 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001574144914 949916673 /nfs/dbraw/zinc/91/66/73/949916673.db2.gz QLDWENXXVWJQKX-UONOGXRCSA-N -1 1 388.476 1.193 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001574485192 949919224 /nfs/dbraw/zinc/91/92/24/949919224.db2.gz UXUAQXIQVLFCSW-CHWSQXEVSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001574485192 949919244 /nfs/dbraw/zinc/91/92/44/949919244.db2.gz UXUAQXIQVLFCSW-CHWSQXEVSA-N -1 1 382.428 1.846 20 0 GDADMM CC(C)(C)/C=C\C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001573827250 949920932 /nfs/dbraw/zinc/92/09/32/949920932.db2.gz LCJZAMLKUUJUFH-GJHKLMEXSA-N -1 1 382.472 1.733 20 0 GDADMM CC(C)(C)/C=C\C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001573827250 949920952 /nfs/dbraw/zinc/92/09/52/949920952.db2.gz LCJZAMLKUUJUFH-GJHKLMEXSA-N -1 1 382.472 1.733 20 0 GDADMM CC1(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CCC(F)(F)CC1 ZINC001575569550 949926650 /nfs/dbraw/zinc/92/66/50/949926650.db2.gz KZNUZJRKBJLPKI-LLVKDONJSA-N -1 1 392.414 1.567 20 0 GDADMM C[C@H](CC(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C(F)(F)F ZINC001574485650 949928085 /nfs/dbraw/zinc/92/80/85/949928085.db2.gz YMEXPIFVEFYKLA-SNVBAGLBSA-N -1 1 384.366 1.284 20 0 GDADMM C[C@H](CC(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C(F)(F)F ZINC001574485650 949928101 /nfs/dbraw/zinc/92/81/01/949928101.db2.gz YMEXPIFVEFYKLA-SNVBAGLBSA-N -1 1 384.366 1.284 20 0 GDADMM C[C@H](NC(=O)COc1ccc(F)cc1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575285094 949930528 /nfs/dbraw/zinc/93/05/28/949930528.db2.gz YGUWUAITYKTPFN-QWRGUYRKSA-N -1 1 386.391 1.180 20 0 GDADMM C[C@H](NC(=O)COc1ccc(F)cc1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575285094 949930553 /nfs/dbraw/zinc/93/05/53/949930553.db2.gz YGUWUAITYKTPFN-QWRGUYRKSA-N -1 1 386.391 1.180 20 0 GDADMM C[C@H](CN(C)C(=O)COc1ccc(F)cc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574726498 949941211 /nfs/dbraw/zinc/94/12/11/949941211.db2.gz JDPHJKVKFDNZBZ-LLVKDONJSA-N -1 1 386.391 1.134 20 0 GDADMM C[C@H](CN(C)C(=O)COc1ccc(F)cc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574726498 949941236 /nfs/dbraw/zinc/94/12/36/949941236.db2.gz JDPHJKVKFDNZBZ-LLVKDONJSA-N -1 1 386.391 1.134 20 0 GDADMM CC(C)(C)[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CCO1 ZINC001573828784 949941423 /nfs/dbraw/zinc/94/14/23/949941423.db2.gz UNXKLOAGRHGICX-AWEZNQCLSA-N -1 1 383.449 1.832 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574146079 949941919 /nfs/dbraw/zinc/94/19/19/949941919.db2.gz WZIPSQIYMUSXFG-UONOGXRCSA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574146079 949941936 /nfs/dbraw/zinc/94/19/36/949941936.db2.gz WZIPSQIYMUSXFG-UONOGXRCSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CN(C)C(=O)COc1ccccc1F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574726863 949943408 /nfs/dbraw/zinc/94/34/08/949943408.db2.gz MAHMZCZFBJNFCT-LLVKDONJSA-N -1 1 386.391 1.134 20 0 GDADMM C[C@H](CN(C)C(=O)COc1ccccc1F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574726863 949943426 /nfs/dbraw/zinc/94/34/26/949943426.db2.gz MAHMZCZFBJNFCT-LLVKDONJSA-N -1 1 386.391 1.134 20 0 GDADMM C[C@@H](CC(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1ccccc1 ZINC001574489360 949965857 /nfs/dbraw/zinc/96/58/57/949965857.db2.gz JEBZIVGGZJKRQQ-BBRMVZONSA-N -1 1 392.467 1.579 20 0 GDADMM C[C@H](CC(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)n1cccc1 ZINC001574489683 949971377 /nfs/dbraw/zinc/97/13/77/949971377.db2.gz KQOQYPOTBACLOQ-OCCSQVGLSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](CC(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)n1cccc1 ZINC001574489683 949971393 /nfs/dbraw/zinc/97/13/93/949971393.db2.gz KQOQYPOTBACLOQ-OCCSQVGLSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cocn2)[C@@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576181220 949991180 /nfs/dbraw/zinc/99/11/80/949991180.db2.gz KVCRACKPQCGPKG-SMDDNHRTSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cocn2)[C@@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576181220 949991205 /nfs/dbraw/zinc/99/12/05/949991205.db2.gz KVCRACKPQCGPKG-SMDDNHRTSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccoc2)[C@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576181307 949998605 /nfs/dbraw/zinc/99/86/05/949998605.db2.gz LPLAUKQGPMRCIJ-DOMZBBRYSA-N -1 1 382.428 1.993 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccoc2)[C@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576181307 949998626 /nfs/dbraw/zinc/99/86/26/949998626.db2.gz LPLAUKQGPMRCIJ-DOMZBBRYSA-N -1 1 382.428 1.993 20 0 GDADMM C[C@@H]1CCN(C(=O)Cc2ccoc2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576182008 950030667 /nfs/dbraw/zinc/03/06/67/950030667.db2.gz KHHWSCOOLXKDES-TZMCWYRMSA-N -1 1 382.428 1.389 20 0 GDADMM C[C@@H]1CCN(C(=O)Cc2ccoc2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576182008 950030688 /nfs/dbraw/zinc/03/06/88/950030688.db2.gz KHHWSCOOLXKDES-TZMCWYRMSA-N -1 1 382.428 1.389 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ccon1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574730886 950035180 /nfs/dbraw/zinc/03/51/80/950035180.db2.gz SKYNAQLMLOTHEW-SSDOTTSWSA-N -1 1 382.837 1.466 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2)C1CC1 ZINC001574491786 950046689 /nfs/dbraw/zinc/04/66/89/950046689.db2.gz FXVZZTTYAOCAIO-TZMCWYRMSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC001576182401 950048449 /nfs/dbraw/zinc/04/84/49/950048449.db2.gz ZMSPMFBXMGHOJO-CHWSQXEVSA-N -1 1 384.444 1.840 20 0 GDADMM C[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC001576182401 950048473 /nfs/dbraw/zinc/04/84/73/950048473.db2.gz ZMSPMFBXMGHOJO-CHWSQXEVSA-N -1 1 384.444 1.840 20 0 GDADMM C[C@H]1CCN(C(=O)C2C=CC=CC=C2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576182467 950056281 /nfs/dbraw/zinc/05/62/81/950056281.db2.gz MDLGRRIGVPBMSF-GOEBONIOSA-N -1 1 392.467 1.852 20 0 GDADMM C[C@H]1CCN(C(=O)C2C=CC=CC=C2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576182467 950056301 /nfs/dbraw/zinc/05/63/01/950056301.db2.gz MDLGRRIGVPBMSF-GOEBONIOSA-N -1 1 392.467 1.852 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1c(F)cccc1F)Nc1nccnc1-c1nnn[n-]1 ZINC001574731575 950057641 /nfs/dbraw/zinc/05/76/41/950057641.db2.gz XLSPWJONRDIVOP-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1c(F)cccc1F)Nc1nccnc1-c1nn[n-]n1 ZINC001574731575 950057665 /nfs/dbraw/zinc/05/76/65/950057665.db2.gz XLSPWJONRDIVOP-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1c(F)cccc1F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574731964 950060798 /nfs/dbraw/zinc/06/07/98/950060798.db2.gz YXOZIUGFLYTLAN-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1c(F)cccc1F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574731964 950060820 /nfs/dbraw/zinc/06/08/20/950060820.db2.gz YXOZIUGFLYTLAN-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H](C)Cc1ccccc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574732537 950075374 /nfs/dbraw/zinc/07/53/74/950075374.db2.gz JQQXTAINWAPUFN-KBPBESRZSA-N -1 1 380.456 1.794 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H](C)Cc1ccccc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574732537 950075392 /nfs/dbraw/zinc/07/53/92/950075392.db2.gz JQQXTAINWAPUFN-KBPBESRZSA-N -1 1 380.456 1.794 20 0 GDADMM C[C@H]1CCN(C(=O)C2CC3(CC3)C2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576183328 950082263 /nfs/dbraw/zinc/08/22/63/950082263.db2.gz PIKCGKXHDMDENW-JSGCOSHPSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@H]1CCN(C(=O)C2CC3(CC3)C2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576183328 950082287 /nfs/dbraw/zinc/08/22/87/950082287.db2.gz PIKCGKXHDMDENW-JSGCOSHPSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccccc1 ZINC001574493044 950113595 /nfs/dbraw/zinc/11/35/95/950113595.db2.gz QZRCJNAVNVSQMR-HOCLYGCPSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccccc1 ZINC001574493044 950113603 /nfs/dbraw/zinc/11/36/03/950113603.db2.gz QZRCJNAVNVSQMR-HOCLYGCPSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccoc2)[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001576184041 950113747 /nfs/dbraw/zinc/11/37/47/950113747.db2.gz VKLLHJYEJPYRDD-OCCSQVGLSA-N -1 1 382.428 1.993 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccoc2)[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001576184041 950113757 /nfs/dbraw/zinc/11/37/57/950113757.db2.gz VKLLHJYEJPYRDD-OCCSQVGLSA-N -1 1 382.428 1.993 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1)c1ccncc1 ZINC001574493206 950117474 /nfs/dbraw/zinc/11/74/74/950117474.db2.gz FLLRQQCRPBFJJL-CHWSQXEVSA-N -1 1 381.444 1.186 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1)c1ccncc1 ZINC001574493206 950117494 /nfs/dbraw/zinc/11/74/94/950117494.db2.gz FLLRQQCRPBFJJL-CHWSQXEVSA-N -1 1 381.444 1.186 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2ccoc2Cl)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575896362 950126052 /nfs/dbraw/zinc/12/60/52/950126052.db2.gz MDDJRNXKTYTNOA-MWLCHTKSSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2ccoc2Cl)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575896362 950126061 /nfs/dbraw/zinc/12/60/61/950126061.db2.gz MDDJRNXKTYTNOA-MWLCHTKSSA-N -1 1 388.819 1.690 20 0 GDADMM CC(C)(C)CC(C)(C)C(=O)NC[C@@H](CO)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573839300 950126608 /nfs/dbraw/zinc/12/66/08/950126608.db2.gz PCXITPKCEQUUOY-NSHDSACASA-N -1 1 376.465 1.008 20 0 GDADMM CC(C)(C)CC(C)(C)C(=O)NC[C@@H](CO)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573839300 950126617 /nfs/dbraw/zinc/12/66/17/950126617.db2.gz PCXITPKCEQUUOY-NSHDSACASA-N -1 1 376.465 1.008 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001574493915 950144519 /nfs/dbraw/zinc/14/45/19/950144519.db2.gz VHFRQEWWIGFLEQ-OLZOCXBDSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001574493915 950144528 /nfs/dbraw/zinc/14/45/28/950144528.db2.gz VHFRQEWWIGFLEQ-OLZOCXBDSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H]1CCN(C(=O)CCC2CCC2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576184947 950146880 /nfs/dbraw/zinc/14/68/80/950146880.db2.gz YVYBOWVYZWFCPM-ZFWWWQNUSA-N -1 1 384.488 1.555 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cccn2C)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576184993 950151171 /nfs/dbraw/zinc/15/11/71/950151171.db2.gz YDVLYSSPPIWUDB-SWLSCSKDSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cccn2C)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576184993 950151181 /nfs/dbraw/zinc/15/11/81/950151181.db2.gz YDVLYSSPPIWUDB-SWLSCSKDSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@@H](CC(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1)n1cccc1 ZINC001574494790 950184645 /nfs/dbraw/zinc/18/46/45/950184645.db2.gz OKLXJKQAARKDPZ-ZDUSSCGKSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](CC(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1)n1cccc1 ZINC001574494790 950184656 /nfs/dbraw/zinc/18/46/56/950184656.db2.gz OKLXJKQAARKDPZ-ZDUSSCGKSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccsn2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576191129 950187746 /nfs/dbraw/zinc/18/77/46/950187746.db2.gz DPLVZQFLDAAVTN-WDEREUQCSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccsn2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576191129 950187758 /nfs/dbraw/zinc/18/77/58/950187758.db2.gz DPLVZQFLDAAVTN-WDEREUQCSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](Nc1nccnc1-c1nnn[n-]1)C1CC1)C(F)(F)F ZINC001574494923 950192406 /nfs/dbraw/zinc/19/24/06/950192406.db2.gz QJXXINQTUAYSCA-PSASIEDQSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](Nc1nccnc1-c1nn[n-]n1)C1CC1)C(F)(F)F ZINC001574494923 950192418 /nfs/dbraw/zinc/19/24/18/950192418.db2.gz QJXXINQTUAYSCA-PSASIEDQSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H](CO)Nc1cncc(-c2nnn[n-]2)n1)CC(C)(C)C ZINC001574494963 950194122 /nfs/dbraw/zinc/19/41/22/950194122.db2.gz QPUXPDRSKJJJFO-RYUDHWBXSA-N -1 1 376.465 1.008 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H](CO)Nc1cncc(-c2nn[n-]n2)n1)CC(C)(C)C ZINC001574494963 950194134 /nfs/dbraw/zinc/19/41/34/950194134.db2.gz QPUXPDRSKJJJFO-RYUDHWBXSA-N -1 1 376.465 1.008 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573844567 950198079 /nfs/dbraw/zinc/19/80/79/950198079.db2.gz BMUCZVKOPMEMIA-MELADBBJSA-N -1 1 384.488 1.411 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cncs2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576191477 950201124 /nfs/dbraw/zinc/20/11/24/950201124.db2.gz GWDGCKJOZKNASR-GHMZBOCLSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cncs2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576191477 950201142 /nfs/dbraw/zinc/20/11/42/950201142.db2.gz GWDGCKJOZKNASR-GHMZBOCLSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccncc2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576191651 950206528 /nfs/dbraw/zinc/20/65/28/950206528.db2.gz HQTUGVFDQZJPRE-GXTWGEPZSA-N -1 1 379.428 1.262 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccncc2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576191651 950206549 /nfs/dbraw/zinc/20/65/49/950206549.db2.gz HQTUGVFDQZJPRE-GXTWGEPZSA-N -1 1 379.428 1.262 20 0 GDADMM C[C@H]1CCN(C(=O)c2nccs2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576192062 950224645 /nfs/dbraw/zinc/22/46/45/950224645.db2.gz JSWMDHWPALABNJ-QWRGUYRKSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H]1CCN(C(=O)c2nccs2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576192062 950224662 /nfs/dbraw/zinc/22/46/62/950224662.db2.gz JSWMDHWPALABNJ-QWRGUYRKSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H](CC(=O)NC[C@@]1(C)CCCN(c2nccnc2-c2nnn[n-]2)C1)C1CC1 ZINC001574497841 950244953 /nfs/dbraw/zinc/24/49/53/950244953.db2.gz DZUWTRKIGVEBIM-BFUOFWGJSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](CC(=O)NC[C@@]1(C)CCCN(c2nccnc2-c2nn[n-]n2)C1)C1CC1 ZINC001574497841 950244971 /nfs/dbraw/zinc/24/49/71/950244971.db2.gz DZUWTRKIGVEBIM-BFUOFWGJSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573846147 950245301 /nfs/dbraw/zinc/24/53/01/950245301.db2.gz OYGSOHVKADQIFV-GXTWGEPZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](CN(C)C(=O)c1c2ccccc2nn1C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574741658 950248873 /nfs/dbraw/zinc/24/88/73/950248873.db2.gz KJPWWOHESUIRDT-LLVKDONJSA-N -1 1 392.427 1.116 20 0 GDADMM C[C@H](CN(C)C(=O)c1c2ccccc2nn1C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574741658 950248893 /nfs/dbraw/zinc/24/88/93/950248893.db2.gz KJPWWOHESUIRDT-LLVKDONJSA-N -1 1 392.427 1.116 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CCc1ccoc1 ZINC001574157778 950252717 /nfs/dbraw/zinc/25/27/17/950252717.db2.gz IJXAHBAHJUBVIF-CQSZACIVSA-N -1 1 384.444 1.825 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CCc1ccoc1 ZINC001574157778 950252734 /nfs/dbraw/zinc/25/27/34/950252734.db2.gz IJXAHBAHJUBVIF-CQSZACIVSA-N -1 1 384.444 1.825 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cc(Cl)no1 ZINC001574157785 950254318 /nfs/dbraw/zinc/25/43/18/950254318.db2.gz ITBWAGZGEGBPGX-SECBINFHSA-N -1 1 391.823 1.555 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cc(Cl)no1 ZINC001574157785 950254338 /nfs/dbraw/zinc/25/43/38/950254338.db2.gz ITBWAGZGEGBPGX-SECBINFHSA-N -1 1 391.823 1.555 20 0 GDADMM C[C@H]1CCN(C(=O)c2cccs2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576192701 950259961 /nfs/dbraw/zinc/25/99/61/950259961.db2.gz QBXUJEINWKVDIB-NWDGAFQWSA-N -1 1 384.469 1.350 20 0 GDADMM C[C@H](CN(C)C(=O)c1[nH]cnc1C(C)(C)C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574742107 950270378 /nfs/dbraw/zinc/27/03/78/950270378.db2.gz LOXNHDJXAOOMAD-SNVBAGLBSA-N -1 1 384.448 1.250 20 0 GDADMM C[C@@H]1C[C@@H](NS(=O)(=O)c2n[nH]cc2C(=O)[O-])CCN1Cc1ccccc1 ZINC000379617741 971649366 /nfs/dbraw/zinc/64/93/66/971649366.db2.gz NNLHUGRGQCPEDG-OCCSQVGLSA-N -1 1 378.454 1.439 20 0 GDADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1sccc1F ZINC001574158768 950287572 /nfs/dbraw/zinc/28/75/72/950287572.db2.gz SEBPUSGUIOWJES-JTQLQIEISA-N -1 1 390.448 1.536 20 0 GDADMM C[C@H]1CCN(C(=O)c2cccs2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576193339 950295807 /nfs/dbraw/zinc/29/58/07/950295807.db2.gz SZFXISYRYKXFGE-RYUDHWBXSA-N -1 1 384.469 1.929 20 0 GDADMM C[C@H]1CCN(C(=O)c2cccs2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576193339 950295818 /nfs/dbraw/zinc/29/58/18/950295818.db2.gz SZFXISYRYKXFGE-RYUDHWBXSA-N -1 1 384.469 1.929 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)Cc1ccsc1 ZINC001574159266 950301511 /nfs/dbraw/zinc/30/15/11/950301511.db2.gz VIWGJOCKOKNLQB-CYBMUJFWSA-N -1 1 386.485 1.904 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)Cc1ccsc1 ZINC001574159266 950301528 /nfs/dbraw/zinc/30/15/28/950301528.db2.gz VIWGJOCKOKNLQB-CYBMUJFWSA-N -1 1 386.485 1.904 20 0 GDADMM CC(C)(C)OC(=O)N1C[C@@H](C(=O)Nc2n[nH]cc2-c2nnn[n-]2)C(C)(C)C1 ZINC001573852075 950302203 /nfs/dbraw/zinc/30/22/03/950302203.db2.gz CHQGCCXBAGPNTA-JTQLQIEISA-N -1 1 376.421 1.421 20 0 GDADMM CC(C)(C)OC(=O)N1C[C@@H](C(=O)Nc2n[nH]cc2-c2nn[n-]n2)C(C)(C)C1 ZINC001573852075 950302224 /nfs/dbraw/zinc/30/22/24/950302224.db2.gz CHQGCCXBAGPNTA-JTQLQIEISA-N -1 1 376.421 1.421 20 0 GDADMM C[C@@H](CC(=O)NC[C@]1(C)CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001574499450 950302591 /nfs/dbraw/zinc/30/25/91/950302591.db2.gz VRIQGZARWNJWBL-DJJJIMSYSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[C@H]1CCCCO1 ZINC001574159351 950306352 /nfs/dbraw/zinc/30/63/52/950306352.db2.gz FZKOUXPZBCSHIC-UONOGXRCSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[C@H]1CCCCO1 ZINC001574159351 950306373 /nfs/dbraw/zinc/30/63/73/950306373.db2.gz FZKOUXPZBCSHIC-UONOGXRCSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[nH]n2)cn1)NC(=O)c1ncccc1[O-] ZINC001574159776 950314876 /nfs/dbraw/zinc/31/48/76/950314876.db2.gz ITPKFBHPDBSIMQ-NSHDSACASA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CC[C@H]1CCCO1 ZINC001574160602 950340240 /nfs/dbraw/zinc/34/02/40/950340240.db2.gz OXYLAOJYXLKMIB-ZIAGYGMSSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CC[C@H]1CCCO1 ZINC001574160602 950340260 /nfs/dbraw/zinc/34/02/60/950340260.db2.gz OXYLAOJYXLKMIB-ZIAGYGMSSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)OC(=O)N(C1CC1)C1(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)CCC1 ZINC001573854261 950340726 /nfs/dbraw/zinc/34/07/26/950340726.db2.gz YGTVUKSVGQLMBQ-UHFFFAOYSA-N -1 1 388.432 1.851 20 0 GDADMM CC(C)(C)OC(=O)N(C1CC1)C1(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)CCC1 ZINC001573854261 950340746 /nfs/dbraw/zinc/34/07/46/950340746.db2.gz YGTVUKSVGQLMBQ-UHFFFAOYSA-N -1 1 388.432 1.851 20 0 GDADMM C[C@@H]1CCN(C(=O)c2nccs2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576194461 950341647 /nfs/dbraw/zinc/34/16/47/950341647.db2.gz ZBPLVPWKJYXDSH-MNOVXSKESA-N -1 1 385.457 1.324 20 0 GDADMM C[C@@H]1CCN(C(=O)c2nccs2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576194461 950341668 /nfs/dbraw/zinc/34/16/68/950341668.db2.gz ZBPLVPWKJYXDSH-MNOVXSKESA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC001574501926 950345520 /nfs/dbraw/zinc/34/55/20/950345520.db2.gz HOCZNBYTNWXJDV-GDBMZVCRSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC001574501926 950345525 /nfs/dbraw/zinc/34/55/25/950345525.db2.gz HOCZNBYTNWXJDV-GDBMZVCRSA-N -1 1 392.467 1.936 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@]1(C)CCCOC1 ZINC001574161301 950351146 /nfs/dbraw/zinc/35/11/46/950351146.db2.gz SMLYCEDNTGQSNB-FZKQIMNGSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@]1(C)CCCOC1 ZINC001574161301 950351166 /nfs/dbraw/zinc/35/11/66/950351166.db2.gz SMLYCEDNTGQSNB-FZKQIMNGSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccncc1F ZINC001574160950 950353642 /nfs/dbraw/zinc/35/36/42/950353642.db2.gz RREQDRLWWBPLKS-LLVKDONJSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccncc1F ZINC001574160950 950353661 /nfs/dbraw/zinc/35/36/61/950353661.db2.gz RREQDRLWWBPLKS-LLVKDONJSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)CC1(C(=O)N2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@@H](C)C2)CCC1 ZINC001574162454 950382376 /nfs/dbraw/zinc/38/23/76/950382376.db2.gz AUHSHWMIWNUTKB-KBPBESRZSA-N -1 1 384.488 1.554 20 0 GDADMM CC1(C(=O)NCC[C@H](Cc2ccccc2)Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575596637 950382430 /nfs/dbraw/zinc/38/24/30/950382430.db2.gz UFDKUHZVBUYQKT-OAHLLOKOSA-N -1 1 392.467 1.986 20 0 GDADMM CC1(C(=O)NCC[C@H](Cc2ccccc2)Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575596637 950382454 /nfs/dbraw/zinc/38/24/54/950382454.db2.gz UFDKUHZVBUYQKT-OAHLLOKOSA-N -1 1 392.467 1.986 20 0 GDADMM CC1(C(=O)NC[C@@H]2CN(c3nc(-c4nn[n-]n4)c(Cl)s3)CCO2)CC1 ZINC001575596820 950390105 /nfs/dbraw/zinc/39/01/05/950390105.db2.gz VRPGLBUBQGSROY-MRVPVSSYSA-N -1 1 383.865 1.098 20 0 GDADMM CC1(C(=O)NC[C@H]2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CC(F)(F)C1 ZINC001575597283 950407592 /nfs/dbraw/zinc/40/75/92/950407592.db2.gz NYAZLZOEQPMRHF-WDEREUQCSA-N -1 1 392.414 1.211 20 0 GDADMM CC(C)(C)OC(=O)NC1(CNC(=O)c2coc(-c3nnn[n-]3)c2)CCOCC1 ZINC001573860072 950416182 /nfs/dbraw/zinc/41/61/82/950416182.db2.gz CSZOCHFYSDRGQM-UHFFFAOYSA-N -1 1 392.416 1.263 20 0 GDADMM CC(C)(C)OC(=O)NC1(CNC(=O)c2coc(-c3nn[n-]n3)c2)CCOCC1 ZINC001573860072 950416194 /nfs/dbraw/zinc/41/61/94/950416194.db2.gz CSZOCHFYSDRGQM-UHFFFAOYSA-N -1 1 392.416 1.263 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)c1ccco1 ZINC001574503690 950417601 /nfs/dbraw/zinc/41/76/01/950417601.db2.gz YSWIKIGGLJSZRF-STQMWFEESA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc(F)cc(Cl)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574750573 950431481 /nfs/dbraw/zinc/43/14/81/950431481.db2.gz DAGRYFOBRMNPRN-SECBINFHSA-N -1 1 390.810 1.444 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@H](C)c1cccc(F)c1 ZINC001574506457 950437665 /nfs/dbraw/zinc/43/76/65/950437665.db2.gz DSODYSMWCRHILT-RYUDHWBXSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@H](C)c1cccc(F)c1 ZINC001574506457 950437683 /nfs/dbraw/zinc/43/76/83/950437683.db2.gz DSODYSMWCRHILT-RYUDHWBXSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H](CC(=O)N[C@@H](C)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001574506776 950441029 /nfs/dbraw/zinc/44/10/29/950441029.db2.gz FMDRIPHFXMRDGY-OLZOCXBDSA-N -1 1 384.488 1.814 20 0 GDADMM CCN(CC)CCN(C(=O)c1coc(/C=C\C(=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC001589724915 950450576 /nfs/dbraw/zinc/45/05/76/950450576.db2.gz PWKXNOHXTJEUEP-IYKSTZQJSA-N -1 1 398.481 1.349 20 0 GDADMM C[C@H](CC(=O)NCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1)C(F)(F)F ZINC001574507714 950461732 /nfs/dbraw/zinc/46/17/32/950461732.db2.gz HQCTURJPTZEOPC-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](CC(=O)NCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1)C(F)(F)F ZINC001574507714 950461746 /nfs/dbraw/zinc/46/17/46/950461746.db2.gz HQCTURJPTZEOPC-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)CC1(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)CCC1 ZINC001574166174 950463291 /nfs/dbraw/zinc/46/32/91/950463291.db2.gz OYWYCUJCMULCFP-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CC1(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)CCC1 ZINC001574166174 950463302 /nfs/dbraw/zinc/46/33/02/950463302.db2.gz OYWYCUJCMULCFP-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001574507952 950464972 /nfs/dbraw/zinc/46/49/72/950464972.db2.gz LDLQYIFULWQCSW-OPRDCNLKSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001574507952 950464986 /nfs/dbraw/zinc/46/49/86/950464986.db2.gz LDLQYIFULWQCSW-OPRDCNLKSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)[C@@H]1CCCO1 ZINC001574508094 950466368 /nfs/dbraw/zinc/46/63/68/950466368.db2.gz MKNZXWPJZNSKTQ-MQYQWHSLSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)[C@@H]1CCCO1 ZINC001574508094 950466386 /nfs/dbraw/zinc/46/63/86/950466386.db2.gz MKNZXWPJZNSKTQ-MQYQWHSLSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)[C@H]1CCCO1 ZINC001574508098 950466949 /nfs/dbraw/zinc/46/69/49/950466949.db2.gz MKNZXWPJZNSKTQ-YIYPIFLZSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)[C@H]1CCCO1 ZINC001574508098 950466962 /nfs/dbraw/zinc/46/69/62/950466962.db2.gz MKNZXWPJZNSKTQ-YIYPIFLZSA-N -1 1 386.460 1.169 20 0 GDADMM CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)NCc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573862503 950468601 /nfs/dbraw/zinc/46/86/01/950468601.db2.gz UKYKFGJNFPRYOI-AOOOYVTPSA-N -1 1 378.458 1.848 20 0 GDADMM C[C@H](CC(=O)NCCNc1snc(Cl)c1-c1nnn[n-]1)[C@@H]1CCCO1 ZINC001574508213 950475835 /nfs/dbraw/zinc/47/58/35/950475835.db2.gz KVPFKIVJBHWNIH-BDAKNGLRSA-N -1 1 385.881 1.710 20 0 GDADMM C[C@H](CC(=O)NCCNc1snc(Cl)c1-c1nn[n-]n1)[C@@H]1CCCO1 ZINC001574508213 950475849 /nfs/dbraw/zinc/47/58/49/950475849.db2.gz KVPFKIVJBHWNIH-BDAKNGLRSA-N -1 1 385.881 1.710 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1ccccc1 ZINC001575913103 950477296 /nfs/dbraw/zinc/47/72/96/950477296.db2.gz ILASEXBNDRASKY-DZGCQCFKSA-N -1 1 378.440 1.691 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCc1ccccc1 ZINC001575913103 950477314 /nfs/dbraw/zinc/47/73/14/950477314.db2.gz ILASEXBNDRASKY-DZGCQCFKSA-N -1 1 378.440 1.691 20 0 GDADMM CC1(C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCC(F)(F)CC1 ZINC001575607114 950503469 /nfs/dbraw/zinc/50/34/69/950503469.db2.gz HTHHFIHTOOBWPS-XYPYZODXSA-N -1 1 392.414 1.353 20 0 GDADMM C[C@@]1(C(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCc2ccccc21 ZINC001575609560 950526003 /nfs/dbraw/zinc/52/60/03/950526003.db2.gz YAOUEAPIBJTNLS-LAPQFRIASA-N -1 1 390.451 1.042 20 0 GDADMM C[C@]1(C(F)(F)F)CN(C(=O)NCc2ccc(-c3nn[n-]n3)s2)CCO1 ZINC001575614569 950539623 /nfs/dbraw/zinc/53/96/23/950539623.db2.gz INNAHZYMGGCNMA-GFCCVEGCSA-N -1 1 376.364 1.791 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C)C(F)(F)F ZINC001574511382 950560152 /nfs/dbraw/zinc/56/01/52/950560152.db2.gz JFRJMLUDYBGDKI-WCABBAIRSA-N -1 1 384.366 1.186 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C)C(F)(F)F ZINC001574511382 950560167 /nfs/dbraw/zinc/56/01/67/950560167.db2.gz JFRJMLUDYBGDKI-WCABBAIRSA-N -1 1 384.366 1.186 20 0 GDADMM CC1(C)C(C(=O)NCC[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1(C)C ZINC001575615573 950564744 /nfs/dbraw/zinc/56/47/44/950564744.db2.gz BMBDTRDWXXBLFR-GFCCVEGCSA-N -1 1 384.488 1.672 20 0 GDADMM CC1(C)C(C(=O)NCC[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1(C)C ZINC001575615573 950564762 /nfs/dbraw/zinc/56/47/62/950564762.db2.gz BMBDTRDWXXBLFR-GFCCVEGCSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C ZINC001573869541 950570930 /nfs/dbraw/zinc/57/09/30/950570930.db2.gz QFEYRVPMDMCDGH-ZDUSSCGKSA-N -1 1 388.476 1.193 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C ZINC001573869541 950570942 /nfs/dbraw/zinc/57/09/42/950570942.db2.gz QFEYRVPMDMCDGH-ZDUSSCGKSA-N -1 1 388.476 1.193 20 0 GDADMM CC(C)(C)OCC(=O)NC[C@@H]1CCCCCN1c1nccnc1-c1nnn[n-]1 ZINC001573869766 950576601 /nfs/dbraw/zinc/57/66/01/950576601.db2.gz CFJIQEAPEVMQAA-ZDUSSCGKSA-N -1 1 388.476 1.337 20 0 GDADMM CC(C)(C)OCC(=O)NC[C@@H]1CCCCCN1c1nccnc1-c1nn[n-]n1 ZINC001573869766 950576619 /nfs/dbraw/zinc/57/66/19/950576619.db2.gz CFJIQEAPEVMQAA-ZDUSSCGKSA-N -1 1 388.476 1.337 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)NC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575616908 950591632 /nfs/dbraw/zinc/59/16/32/950591632.db2.gz UBBWFYVYJBDWOB-LBPRGKRZSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)NC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575616908 950591649 /nfs/dbraw/zinc/59/16/49/950591649.db2.gz UBBWFYVYJBDWOB-LBPRGKRZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCC1CCCCC1 ZINC001575919394 950613891 /nfs/dbraw/zinc/61/38/91/950613891.db2.gz HPZXYWTXJCNKHG-HIFRSBDPSA-N -1 1 384.488 1.840 20 0 GDADMM CC(C)(C)OCC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCCCC1 ZINC001573871519 950617448 /nfs/dbraw/zinc/61/74/48/950617448.db2.gz QNRDTOGMFNSTPA-UHFFFAOYSA-N -1 1 388.476 1.125 20 0 GDADMM C[C@@H](CNC(=O)c1cc2c([nH]1)CCCC2)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575000846 950619079 /nfs/dbraw/zinc/61/90/79/950619079.db2.gz GVFWBEQGVCBAQB-NSHDSACASA-N -1 1 381.444 1.118 20 0 GDADMM C[C@@H](CNC(=O)c1cc2c([nH]1)CCCC2)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575000846 950619089 /nfs/dbraw/zinc/61/90/89/950619089.db2.gz GVFWBEQGVCBAQB-NSHDSACASA-N -1 1 381.444 1.118 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)cc(Cl)c1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575001278 950629001 /nfs/dbraw/zinc/62/90/01/950629001.db2.gz JSPZQKXASLPJHN-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)cc(Cl)c1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575001278 950629009 /nfs/dbraw/zinc/62/90/09/950629009.db2.gz JSPZQKXASLPJHN-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)ccc1F)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575001595 950640976 /nfs/dbraw/zinc/64/09/76/950640976.db2.gz WHTXPOIMCBQNAG-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)ccc1F)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575001595 950640991 /nfs/dbraw/zinc/64/09/91/950640991.db2.gz WHTXPOIMCBQNAG-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(F)cc(F)c1 ZINC001575922392 950644380 /nfs/dbraw/zinc/64/43/80/950644380.db2.gz PILNRHJLGKPYDI-RNCFNFMXSA-N -1 1 386.366 1.072 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1cccnc1 ZINC001575922831 950652029 /nfs/dbraw/zinc/65/20/29/950652029.db2.gz ASUXTCINLYSCKB-JSGCOSHPSA-N -1 1 379.428 1.086 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1cccnc1 ZINC001575922831 950652043 /nfs/dbraw/zinc/65/20/43/950652043.db2.gz ASUXTCINLYSCKB-JSGCOSHPSA-N -1 1 379.428 1.086 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574518690 950655479 /nfs/dbraw/zinc/65/54/79/950655479.db2.gz PQXIFAQJDPPMES-YUELXQCFSA-N -1 1 378.440 1.332 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574760581 950669160 /nfs/dbraw/zinc/66/91/60/950669160.db2.gz JLGQOZLLXAOCPX-LLVKDONJSA-N -1 1 384.448 1.086 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574760581 950669168 /nfs/dbraw/zinc/66/91/68/950669168.db2.gz JLGQOZLLXAOCPX-LLVKDONJSA-N -1 1 384.448 1.086 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccn(C(C)(C)C)n1)Nc1nccnc1-c1nnn[n-]1 ZINC001574760605 950672556 /nfs/dbraw/zinc/67/25/56/950672556.db2.gz XJWVEKIAJKEFQD-NSHDSACASA-N -1 1 384.448 1.181 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccn(C(C)(C)C)n1)Nc1nccnc1-c1nn[n-]n1 ZINC001574760605 950672570 /nfs/dbraw/zinc/67/25/70/950672570.db2.gz XJWVEKIAJKEFQD-NSHDSACASA-N -1 1 384.448 1.181 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cn(C)cn1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574760591 950673786 /nfs/dbraw/zinc/67/37/86/950673786.db2.gz JORLISYKUKVJOA-ZETCQYMHSA-N -1 1 381.853 1.283 20 0 GDADMM CC1(C)C2CCC1(C(=O)N1CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C1)CC2 ZINC001575624785 950673873 /nfs/dbraw/zinc/67/38/73/950673873.db2.gz OHDNMUBPVDPERO-FWHMADFJSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(C)C2CCC1(C(=O)N1CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C1)CC2 ZINC001575624785 950673887 /nfs/dbraw/zinc/67/38/87/950673887.db2.gz OHDNMUBPVDPERO-FWHMADFJSA-N -1 1 382.472 1.886 20 0 GDADMM CC1CCN(c2ccc(C(=O)NCc3ccnc(-c4nnn[n-]4)c3)cn2)CC1 ZINC001576214939 950682632 /nfs/dbraw/zinc/68/26/32/950682632.db2.gz RPNUIQGIOYSNLT-UHFFFAOYSA-N -1 1 378.440 1.823 20 0 GDADMM CC1CCN(c2ccc(C(=O)NCc3ccnc(-c4nn[n-]n4)c3)cn2)CC1 ZINC001576214939 950682646 /nfs/dbraw/zinc/68/26/46/950682646.db2.gz RPNUIQGIOYSNLT-UHFFFAOYSA-N -1 1 378.440 1.823 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C2CCC2)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576215360 950694923 /nfs/dbraw/zinc/69/49/23/950694923.db2.gz AQZWFGHNFGZWIJ-OCCSQVGLSA-N -1 1 384.488 1.554 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CC2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576215378 950697554 /nfs/dbraw/zinc/69/75/54/950697554.db2.gz AUGXISKJUCJBNY-UWVGGRQHSA-N -1 1 378.387 1.208 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CC2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576215378 950697564 /nfs/dbraw/zinc/69/75/64/950697564.db2.gz AUGXISKJUCJBNY-UWVGGRQHSA-N -1 1 378.387 1.208 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccnn1C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574762149 950700078 /nfs/dbraw/zinc/70/00/78/950700078.db2.gz VWNSLMLGMDGWDU-SSDOTTSWSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccnn1C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574762149 950700089 /nfs/dbraw/zinc/70/00/89/950700089.db2.gz VWNSLMLGMDGWDU-SSDOTTSWSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccc2c(c1)COC2 ZINC001575926216 950704640 /nfs/dbraw/zinc/70/46/40/950704640.db2.gz WOHBZFSQFYGSMA-NHYWBVRUSA-N -1 1 392.423 1.402 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccc2c(c1)COC2 ZINC001575926216 950704654 /nfs/dbraw/zinc/70/46/54/950704654.db2.gz WOHBZFSQFYGSMA-NHYWBVRUSA-N -1 1 392.423 1.402 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576215805 950710679 /nfs/dbraw/zinc/71/06/79/950710679.db2.gz BMXUGHNCMSHOKW-GHMZBOCLSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576215805 950710696 /nfs/dbraw/zinc/71/06/96/950710696.db2.gz BMXUGHNCMSHOKW-GHMZBOCLSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccc(C2CC2)cn1 ZINC001575926603 950714072 /nfs/dbraw/zinc/71/40/72/950714072.db2.gz KQGZDXYXRRBHRV-BXUZGUMPSA-N -1 1 391.439 1.644 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccc(C2CC2)cn1 ZINC001575926603 950714097 /nfs/dbraw/zinc/71/40/97/950714097.db2.gz KQGZDXYXRRBHRV-BXUZGUMPSA-N -1 1 391.439 1.644 20 0 GDADMM CC1(C)CC(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)nn3)CCOCC2)C1 ZINC001575628250 950714505 /nfs/dbraw/zinc/71/45/05/950714505.db2.gz ANVLWJXSSMOSST-UHFFFAOYSA-N -1 1 386.460 1.170 20 0 GDADMM CC1(C)CC(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)nn3)CCOCC2)C1 ZINC001575628250 950714526 /nfs/dbraw/zinc/71/45/26/950714526.db2.gz ANVLWJXSSMOSST-UHFFFAOYSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1cscn1 ZINC001575927522 950743275 /nfs/dbraw/zinc/74/32/75/950743275.db2.gz PWVDDCSZUQHIGF-PWSUYJOCSA-N -1 1 385.457 1.147 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1cscn1 ZINC001575927522 950743285 /nfs/dbraw/zinc/74/32/85/950743285.db2.gz PWVDDCSZUQHIGF-PWSUYJOCSA-N -1 1 385.457 1.147 20 0 GDADMM CC1(C)CC(C(=O)N[C@@]23CCC[C@H]2N(c2ccc(-c4nnn[n-]4)nn2)CC3)C1 ZINC001575629791 950746655 /nfs/dbraw/zinc/74/66/55/950746655.db2.gz TWDLPVUOKHGPLY-AUUYWEPGSA-N -1 1 382.472 1.711 20 0 GDADMM CC1(C)CC(C(=O)N[C@@]23CCC[C@H]2N(c2ccc(-c4nn[n-]n4)nn2)CC3)C1 ZINC001575629791 950746675 /nfs/dbraw/zinc/74/66/75/950746675.db2.gz TWDLPVUOKHGPLY-AUUYWEPGSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cc(C2CC2)on1 ZINC001575927796 950756269 /nfs/dbraw/zinc/75/62/69/950756269.db2.gz UNZWMSGHNWGNFT-ONGXEEELSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cc(C2CC2)on1 ZINC001575927796 950756285 /nfs/dbraw/zinc/75/62/85/950756285.db2.gz UNZWMSGHNWGNFT-ONGXEEELSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1cccs1 ZINC001575927837 950760378 /nfs/dbraw/zinc/76/03/78/950760378.db2.gz VFCGARWZMBHTBW-AAEUAGOBSA-N -1 1 384.469 1.752 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1cccs1 ZINC001575927837 950760393 /nfs/dbraw/zinc/76/03/93/950760393.db2.gz VFCGARWZMBHTBW-AAEUAGOBSA-N -1 1 384.469 1.752 20 0 GDADMM CC1(C)CC(C(=O)NCCC2CCN(c3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001575630436 950762409 /nfs/dbraw/zinc/76/24/09/950762409.db2.gz DBVPGDNDTGDTHX-UHFFFAOYSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C)CC(C(=O)NCCC2CCN(c3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001575630436 950762434 /nfs/dbraw/zinc/76/24/34/950762434.db2.gz DBVPGDNDTGDTHX-UHFFFAOYSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CC2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576217777 950767578 /nfs/dbraw/zinc/76/75/78/950767578.db2.gz JESCVDZVNKEPLO-ZJUUUORDSA-N -1 1 378.387 1.208 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CC2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576217777 950767589 /nfs/dbraw/zinc/76/75/89/950767589.db2.gz JESCVDZVNKEPLO-ZJUUUORDSA-N -1 1 378.387 1.208 20 0 GDADMM CC(C)CCC(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)C[C@H]1O ZINC001574184128 950773944 /nfs/dbraw/zinc/77/39/44/950773944.db2.gz FGJZCXIKVZMAFU-RKDXNWHRSA-N -1 1 385.881 1.079 20 0 GDADMM CC(C)CCC(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)C[C@H]1O ZINC001574184128 950773964 /nfs/dbraw/zinc/77/39/64/950773964.db2.gz FGJZCXIKVZMAFU-RKDXNWHRSA-N -1 1 385.881 1.079 20 0 GDADMM CC1(C)CC(CC(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)CC2(C)C)C1 ZINC001575632095 950788988 /nfs/dbraw/zinc/78/89/88/950788988.db2.gz ABOPIEUUIAQEDW-CQSZACIVSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)CC(CC(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)CC2(C)C)C1 ZINC001575632095 950789004 /nfs/dbraw/zinc/78/90/04/950789004.db2.gz ABOPIEUUIAQEDW-CQSZACIVSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576219460 950805276 /nfs/dbraw/zinc/80/52/76/950805276.db2.gz NVSLHFXILMBPOK-UWVGGRQHSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576219460 950805289 /nfs/dbraw/zinc/80/52/89/950805289.db2.gz NVSLHFXILMBPOK-UWVGGRQHSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@H]1[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)CCN1C(=O)c1cncnc1 ZINC001575931201 950807791 /nfs/dbraw/zinc/80/77/91/950807791.db2.gz HLEGRQYPASZDFA-IONNQARKSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCN1C(=O)c1cncnc1 ZINC001575931201 950807812 /nfs/dbraw/zinc/80/78/12/950807812.db2.gz HLEGRQYPASZDFA-IONNQARKSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1CCc2ccccc2N1C(=O)Cn1c2c(cc(-c3nn[n-]n3)c1=O)CCC2 ZINC001576219862 950822059 /nfs/dbraw/zinc/82/20/59/950822059.db2.gz VVUGYQUENLAQKQ-ZDUSSCGKSA-N -1 1 390.447 1.885 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)c2ccccc2)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576220111 950825875 /nfs/dbraw/zinc/82/58/75/950825875.db2.gz QKZDBJZRQFFADY-UKRRQHHQSA-N -1 1 392.467 1.893 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)c2ccccc2)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576220111 950825897 /nfs/dbraw/zinc/82/58/97/950825897.db2.gz QKZDBJZRQFFADY-UKRRQHHQSA-N -1 1 392.467 1.893 20 0 GDADMM CC(C)(C)c1n[nH]cc1C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573885482 950829625 /nfs/dbraw/zinc/82/96/25/950829625.db2.gz XZXFHFOCPRMNHO-SNVBAGLBSA-N -1 1 382.432 1.004 20 0 GDADMM CC(C)(C)c1n[nH]cc1C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573885482 950829647 /nfs/dbraw/zinc/82/96/47/950829647.db2.gz XZXFHFOCPRMNHO-SNVBAGLBSA-N -1 1 382.432 1.004 20 0 GDADMM C[C@@H](CN(C)C(=O)c1nc(Cl)cs1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574766845 950832430 /nfs/dbraw/zinc/83/24/30/950832430.db2.gz NAUULIVCUQNDOJ-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CN(C)C(=O)c1nc(Cl)cs1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574766845 950832454 /nfs/dbraw/zinc/83/24/54/950832454.db2.gz NAUULIVCUQNDOJ-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576220584 950835489 /nfs/dbraw/zinc/83/54/89/950835489.db2.gz RPNFCBNEJSUSOX-WDEREUQCSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576220584 950835517 /nfs/dbraw/zinc/83/55/17/950835517.db2.gz RPNFCBNEJSUSOX-WDEREUQCSA-N -1 1 392.414 1.599 20 0 GDADMM CC(C)CCCC(=O)N1CCCO[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574187836 950840011 /nfs/dbraw/zinc/84/00/11/950840011.db2.gz QZXNAKYCYFWEEU-AWEZNQCLSA-N -1 1 388.476 1.512 20 0 GDADMM CC(C)CCCC(=O)N1CCCO[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574187836 950840025 /nfs/dbraw/zinc/84/00/25/950840025.db2.gz QZXNAKYCYFWEEU-AWEZNQCLSA-N -1 1 388.476 1.512 20 0 GDADMM CC(C)CCCC(=O)N1CCC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001574188201 950841960 /nfs/dbraw/zinc/84/19/60/950841960.db2.gz SZGSQMNXSRCVHW-GOEBONIOSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CCCC(=O)N1CCC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001574188201 950841977 /nfs/dbraw/zinc/84/19/77/950841977.db2.gz SZGSQMNXSRCVHW-GOEBONIOSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)(F)C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)CC(C)(C)C1 ZINC001575639045 950858562 /nfs/dbraw/zinc/85/85/62/950858562.db2.gz NYFQZHOJYALUDT-LLVKDONJSA-N -1 1 376.440 1.516 20 0 GDADMM CC(C)(F)C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)CC(C)(C)C1 ZINC001575639045 950858589 /nfs/dbraw/zinc/85/85/89/950858589.db2.gz NYFQZHOJYALUDT-LLVKDONJSA-N -1 1 376.440 1.516 20 0 GDADMM CC(C)CCCC(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@@]2(C)C1 ZINC001574189226 950868138 /nfs/dbraw/zinc/86/81/38/950868138.db2.gz GDLIZGIZNBUDMO-KUHUBIRLSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)CCCC(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@]2(C)C1 ZINC001574189226 950868153 /nfs/dbraw/zinc/86/81/53/950868153.db2.gz GDLIZGIZNBUDMO-KUHUBIRLSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C(F)F)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576222359 950869857 /nfs/dbraw/zinc/86/98/57/950869857.db2.gz YHKARSMXAIALKT-UWVGGRQHSA-N -1 1 380.403 1.019 20 0 GDADMM CC(C)CCCC(=O)NC[C@@]1(C)CN(c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC001574189290 950876384 /nfs/dbraw/zinc/87/63/84/950876384.db2.gz HTKWAVAVJHFSRW-SFHVURJKSA-N -1 1 388.476 1.195 20 0 GDADMM CC(C)CCCC(=O)NC[C@@]1(C)CN(c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC001574189290 950876405 /nfs/dbraw/zinc/87/64/05/950876405.db2.gz HTKWAVAVJHFSRW-SFHVURJKSA-N -1 1 388.476 1.195 20 0 GDADMM CC(C)n1cnc(C(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)[C@@H]2C)c1 ZINC001575935466 950880720 /nfs/dbraw/zinc/88/07/20/950880720.db2.gz WUUKUTQGPMWQLQ-NWDGAFQWSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1cnc(C(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)[C@@H]2C)c1 ZINC001575935466 950880737 /nfs/dbraw/zinc/88/07/37/950880737.db2.gz WUUKUTQGPMWQLQ-NWDGAFQWSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)CCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001574189566 950887368 /nfs/dbraw/zinc/88/73/68/950887368.db2.gz NUPLTKPPRLZXIM-KKUMJFAQSA-N -1 1 384.488 1.957 20 0 GDADMM CC(C)CCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001574189566 950887382 /nfs/dbraw/zinc/88/73/82/950887382.db2.gz NUPLTKPPRLZXIM-KKUMJFAQSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ncc(Cl)s1 ZINC001575935798 950896124 /nfs/dbraw/zinc/89/61/24/950896124.db2.gz YWQGXYDSWNNAJB-JGVFFNPUSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ncc(Cl)s1 ZINC001575935798 950896141 /nfs/dbraw/zinc/89/61/41/950896141.db2.gz YWQGXYDSWNNAJB-JGVFFNPUSA-N -1 1 391.848 1.482 20 0 GDADMM CC(C)CCCC(=O)NC[C@@H](O)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574189714 950898894 /nfs/dbraw/zinc/89/88/94/950898894.db2.gz QLRAZKIEAKGAKH-SECBINFHSA-N -1 1 387.897 1.692 20 0 GDADMM CC(C)CCCC(=O)NC[C@@H](O)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574189714 950898909 /nfs/dbraw/zinc/89/89/09/950898909.db2.gz QLRAZKIEAKGAKH-SECBINFHSA-N -1 1 387.897 1.692 20 0 GDADMM CC(C)CCCC(=O)NC[C@H](O)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574189715 950899671 /nfs/dbraw/zinc/89/96/71/950899671.db2.gz QLRAZKIEAKGAKH-VIFPVBQESA-N -1 1 387.897 1.692 20 0 GDADMM CC(C)CCCC(=O)NC[C@H](O)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574189715 950899688 /nfs/dbraw/zinc/89/96/88/950899688.db2.gz QLRAZKIEAKGAKH-VIFPVBQESA-N -1 1 387.897 1.692 20 0 GDADMM CCOC(=O)CC(C)(C)CC[N@H+]1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001590345390 950900095 /nfs/dbraw/zinc/90/00/95/950900095.db2.gz AVKMOSLKUMZVSP-AAEUAGOBSA-N -1 1 396.406 1.952 20 0 GDADMM CCOC(=O)CC(C)(C)CC[N@H+]1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001590345392 950900539 /nfs/dbraw/zinc/90/05/39/950900539.db2.gz AVKMOSLKUMZVSP-WCQYABFASA-N -1 1 396.406 1.952 20 0 GDADMM CC(C)CCCC(=O)NC[C@@]1(C)CN(c2ccnc(-c3nn[n-]n3)n2)CCO1 ZINC001574190465 950913212 /nfs/dbraw/zinc/91/32/12/950913212.db2.gz YDFYRJYYYNMGCE-SFHVURJKSA-N -1 1 388.476 1.195 20 0 GDADMM CC1(C)C[C@@H](NC(=O)c2cc[nH]c2)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575641752 950929086 /nfs/dbraw/zinc/92/90/86/950929086.db2.gz QLIREFHYDVGHJJ-ZDUSSCGKSA-N -1 1 381.444 1.410 20 0 GDADMM CC1(C)C[C@@H](NC(=O)c2cc[nH]c2)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575641752 950929102 /nfs/dbraw/zinc/92/91/02/950929102.db2.gz QLIREFHYDVGHJJ-ZDUSSCGKSA-N -1 1 381.444 1.410 20 0 GDADMM C[C@H]1CN(C(=O)C2CC3(CC3)C2)CC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576228433 950945894 /nfs/dbraw/zinc/94/58/94/950945894.db2.gz JZMQPOSNKPQXHQ-STQMWFEESA-N -1 1 382.472 1.743 20 0 GDADMM C[C@H]1CN(C(=O)C2CC3(CC3)C2)CC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576228433 950945906 /nfs/dbraw/zinc/94/59/06/950945906.db2.gz JZMQPOSNKPQXHQ-STQMWFEESA-N -1 1 382.472 1.743 20 0 GDADMM CC1(C)C[C@H](NC(=O)c2ccc[nH]2)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575642956 950957901 /nfs/dbraw/zinc/95/79/01/950957901.db2.gz WOGBKIMMOWFPHL-GFCCVEGCSA-N -1 1 381.444 1.410 20 0 GDADMM CC1(C)C[C@H](NC(=O)c2ccc[nH]2)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575642956 950957918 /nfs/dbraw/zinc/95/79/18/950957918.db2.gz WOGBKIMMOWFPHL-GFCCVEGCSA-N -1 1 381.444 1.410 20 0 GDADMM CC(C)(CC(=O)N[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C)C1CC1 ZINC001573897439 950959225 /nfs/dbraw/zinc/95/92/25/950959225.db2.gz PFPMVEZXUOUBGP-AWEZNQCLSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(CC(=O)N[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C)C1CC1 ZINC001573897439 950959247 /nfs/dbraw/zinc/95/92/47/950959247.db2.gz PFPMVEZXUOUBGP-AWEZNQCLSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)CC(F)F ZINC001573897493 950964900 /nfs/dbraw/zinc/96/49/00/950964900.db2.gz RASIULQJTQYGSP-JTQLQIEISA-N -1 1 380.403 1.423 20 0 GDADMM CC(C)(CC(=O)N[C@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001573897810 950965864 /nfs/dbraw/zinc/96/58/64/950965864.db2.gz TVPJQAWUBUUWOM-JSGCOSHPSA-N -1 1 384.488 1.602 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573899503 950977982 /nfs/dbraw/zinc/97/79/82/950977982.db2.gz BADXMWUTRSEIQI-NFAWXSAZSA-N -1 1 382.472 1.709 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573899503 950977996 /nfs/dbraw/zinc/97/79/96/950977996.db2.gz BADXMWUTRSEIQI-NFAWXSAZSA-N -1 1 382.472 1.709 20 0 GDADMM CC(C)(CC(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)CC(F)F ZINC001573898340 950980472 /nfs/dbraw/zinc/98/04/72/950980472.db2.gz ZPBKEFDUCJUFQL-UHFFFAOYSA-N -1 1 380.403 1.377 20 0 GDADMM CC(C)(CC(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)CC(F)F ZINC001573898340 950980491 /nfs/dbraw/zinc/98/04/91/950980491.db2.gz ZPBKEFDUCJUFQL-UHFFFAOYSA-N -1 1 380.403 1.377 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)C1CCC(F)(F)CC1 ZINC001575938952 950995324 /nfs/dbraw/zinc/99/53/24/950995324.db2.gz PEEYRDGAUPUAAD-JQWIXIFHSA-N -1 1 392.414 1.884 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)C1CCC(F)(F)CC1 ZINC001575938952 950995339 /nfs/dbraw/zinc/99/53/39/950995339.db2.gz PEEYRDGAUPUAAD-JQWIXIFHSA-N -1 1 392.414 1.884 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)F)nc1)Nc1nccnc1-c1nnn[n-]1 ZINC001575017616 951003274 /nfs/dbraw/zinc/00/32/74/951003274.db2.gz ICGOJPANQSCNSP-QMMMGPOBSA-N -1 1 375.343 1.220 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)F)nc1)Nc1nccnc1-c1nn[n-]n1 ZINC001575017616 951003296 /nfs/dbraw/zinc/00/32/96/951003296.db2.gz ICGOJPANQSCNSP-QMMMGPOBSA-N -1 1 375.343 1.220 20 0 GDADMM CC(C)c1ccc(C(=O)NC[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)c(=O)[nH]1 ZINC001575018667 951025413 /nfs/dbraw/zinc/02/54/13/951025413.db2.gz OGMSJYCHPFWWRO-JTQLQIEISA-N -1 1 383.416 1.111 20 0 GDADMM CC(C)c1ccc(C(=O)NC[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)c(=O)[nH]1 ZINC001575018667 951025426 /nfs/dbraw/zinc/02/54/26/951025426.db2.gz OGMSJYCHPFWWRO-JTQLQIEISA-N -1 1 383.416 1.111 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)F)cc1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575019339 951038908 /nfs/dbraw/zinc/03/89/08/951038908.db2.gz SMQCKZXKZNENRX-SNVBAGLBSA-N -1 1 388.382 1.849 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)F)cc1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575019339 951038919 /nfs/dbraw/zinc/03/89/19/951038919.db2.gz SMQCKZXKZNENRX-SNVBAGLBSA-N -1 1 388.382 1.849 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)F)o1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575020205 951055130 /nfs/dbraw/zinc/05/51/30/951055130.db2.gz ZTRDMSCZCHDMTF-MRVPVSSYSA-N -1 1 378.343 1.442 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C2CC2)cn1)CNc1nccnc1-c1nnn[n-]1 ZINC001575022126 951071186 /nfs/dbraw/zinc/07/11/86/951071186.db2.gz HQZWWDWYPFIHTJ-LLVKDONJSA-N -1 1 379.428 1.407 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C2CC2)cn1)CNc1nccnc1-c1nn[n-]n1 ZINC001575022126 951071196 /nfs/dbraw/zinc/07/11/96/951071196.db2.gz HQZWWDWYPFIHTJ-LLVKDONJSA-N -1 1 379.428 1.407 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)s1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575023785 951081584 /nfs/dbraw/zinc/08/15/84/951081584.db2.gz PMMJIEMFLBQGAY-QMMMGPOBSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)s1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575023785 951081593 /nfs/dbraw/zinc/08/15/93/951081593.db2.gz PMMJIEMFLBQGAY-QMMMGPOBSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)cc1F)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575023592 951083454 /nfs/dbraw/zinc/08/34/54/951083454.db2.gz OKJFSTQUXUTKAT-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)cc1F)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575023592 951083463 /nfs/dbraw/zinc/08/34/63/951083463.db2.gz OKJFSTQUXUTKAT-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)c(F)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575024276 951099128 /nfs/dbraw/zinc/09/91/28/951099128.db2.gz ZIXLKRFIRHPVIM-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)c(F)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575024276 951099144 /nfs/dbraw/zinc/09/91/44/951099144.db2.gz ZIXLKRFIRHPVIM-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM CCOC(=O)c1n[nH]c([C@H](CC(C)C)NC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)n1 ZINC001591278932 951109070 /nfs/dbraw/zinc/10/90/70/951109070.db2.gz BCLSRTLLWTUQMC-AVGNSLFASA-N -1 1 396.444 1.455 20 0 GDADMM O=C([O-])CC[C@@H]1C[C@H](C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CO1 ZINC001595000498 951115935 /nfs/dbraw/zinc/11/59/35/951115935.db2.gz CHSACXWKIIHUPT-HCXYKTFWSA-N -1 1 390.480 1.256 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)C[C@H](C)O2)Nc1nccnc1-c1nnn[n-]1 ZINC001575025066 951125880 /nfs/dbraw/zinc/12/58/80/951125880.db2.gz UFGHAAJKCXZHEU-MNOVXSKESA-N -1 1 380.412 1.211 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)C[C@H](C)O2)Nc1nccnc1-c1nn[n-]n1 ZINC001575025066 951125891 /nfs/dbraw/zinc/12/58/91/951125891.db2.gz UFGHAAJKCXZHEU-MNOVXSKESA-N -1 1 380.412 1.211 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)C[C@@H](C)O2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575025198 951128490 /nfs/dbraw/zinc/12/84/90/951128490.db2.gz XBYNANZMINUVNF-GHMZBOCLSA-N -1 1 380.412 1.211 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)C[C@@H](C)O2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575025198 951128494 /nfs/dbraw/zinc/12/84/94/951128494.db2.gz XBYNANZMINUVNF-GHMZBOCLSA-N -1 1 380.412 1.211 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(C(F)F)c1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575025833 951132662 /nfs/dbraw/zinc/13/26/62/951132662.db2.gz BQYOAUUZPPEYRA-SNVBAGLBSA-N -1 1 388.382 1.494 20 0 GDADMM C[C@H](CNC(=O)c1cccc(N(C)C)c1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575027333 951154937 /nfs/dbraw/zinc/15/49/37/951154937.db2.gz FCCHRSWVHMSOAS-LBPRGKRZSA-N -1 1 381.444 1.201 20 0 GDADMM C[C@H](CNC(=O)c1cccc(N(C)C)c1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575027333 951154945 /nfs/dbraw/zinc/15/49/45/951154945.db2.gz FCCHRSWVHMSOAS-LBPRGKRZSA-N -1 1 381.444 1.201 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2ncccc21)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575027586 951160158 /nfs/dbraw/zinc/16/01/58/951160158.db2.gz GPBJEFDNKQSTLS-GFCCVEGCSA-N -1 1 389.423 1.683 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2ncccc21)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575027586 951160165 /nfs/dbraw/zinc/16/01/65/951160165.db2.gz GPBJEFDNKQSTLS-GFCCVEGCSA-N -1 1 389.423 1.683 20 0 GDADMM C[C@H](CNC(=O)c1cccc(C(F)(F)F)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575029089 951182051 /nfs/dbraw/zinc/18/20/51/951182051.db2.gz ZFDUWWSZNZFVTL-SECBINFHSA-N -1 1 392.345 1.906 20 0 GDADMM C[C@H](CNC(=O)c1cccc(C(F)(F)F)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575029089 951182063 /nfs/dbraw/zinc/18/20/63/951182063.db2.gz ZFDUWWSZNZFVTL-SECBINFHSA-N -1 1 392.345 1.906 20 0 GDADMM C[C@@H](CNC(=O)c1ccccc1C(F)(F)F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575029716 951188919 /nfs/dbraw/zinc/18/89/19/951188919.db2.gz WZLAPQHEHJNTNI-VIFPVBQESA-N -1 1 392.345 1.906 20 0 GDADMM C[C@@H](CNC(=O)c1ccccc1C(F)(F)F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575029716 951188927 /nfs/dbraw/zinc/18/89/27/951188927.db2.gz WZLAPQHEHJNTNI-VIFPVBQESA-N -1 1 392.345 1.906 20 0 GDADMM C[C@@H](CNC(=O)c1cccnc1C(F)F)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575032055 951213688 /nfs/dbraw/zinc/21/36/88/951213688.db2.gz PFYZQCPBUOZTAL-SECBINFHSA-N -1 1 389.370 1.467 20 0 GDADMM C[C@@H](CNC(=O)c1cccnc1C(F)F)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575032055 951213695 /nfs/dbraw/zinc/21/36/95/951213695.db2.gz PFYZQCPBUOZTAL-SECBINFHSA-N -1 1 389.370 1.467 20 0 GDADMM C[C@@H](CNC(=O)c1ccnn1C1CCCC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575033821 951230709 /nfs/dbraw/zinc/23/07/09/951230709.db2.gz CAJDYKAZQXCTHC-NSHDSACASA-N -1 1 382.432 1.199 20 0 GDADMM C[C@@H](CNC(=O)c1ccnn1C1CCCC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575033821 951230718 /nfs/dbraw/zinc/23/07/18/951230718.db2.gz CAJDYKAZQXCTHC-NSHDSACASA-N -1 1 382.432 1.199 20 0 GDADMM C[C@H](CNC(=O)c1ccn(C2CCCC2)n1)Nc1nccnc1-c1nnn[n-]1 ZINC001575035552 951277203 /nfs/dbraw/zinc/27/72/03/951277203.db2.gz KMONGPURORDRTK-LLVKDONJSA-N -1 1 382.432 1.199 20 0 GDADMM C[C@H](CNC(=O)c1ccn(C2CCCC2)n1)Nc1nccnc1-c1nn[n-]n1 ZINC001575035552 951277217 /nfs/dbraw/zinc/27/72/17/951277217.db2.gz KMONGPURORDRTK-LLVKDONJSA-N -1 1 382.432 1.199 20 0 GDADMM C[C@@H](CNC(=O)c1ccnc(C2CC2)c1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575035541 951277581 /nfs/dbraw/zinc/27/75/81/951277581.db2.gz KFMZMERJXJIFIX-NSHDSACASA-N -1 1 379.428 1.184 20 0 GDADMM C[C@@H](CNC(=O)c1ccn(C2CCCC2)n1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575036637 951299633 /nfs/dbraw/zinc/29/96/33/951299633.db2.gz UQRRWQATWBKPBE-NSHDSACASA-N -1 1 382.432 1.199 20 0 GDADMM C[C@@H](CNC(=O)c1ccn(C2CCCC2)n1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575036637 951299643 /nfs/dbraw/zinc/29/96/43/951299643.db2.gz UQRRWQATWBKPBE-NSHDSACASA-N -1 1 382.432 1.199 20 0 GDADMM CC(C)c1ncncc1C(=O)NC[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575045968 951434633 /nfs/dbraw/zinc/43/46/33/951434633.db2.gz JYOMKOAWJZCKRT-LLVKDONJSA-N -1 1 382.432 1.048 20 0 GDADMM CC(C)c1ncncc1C(=O)NC[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575045968 951434638 /nfs/dbraw/zinc/43/46/38/951434638.db2.gz JYOMKOAWJZCKRT-LLVKDONJSA-N -1 1 382.432 1.048 20 0 GDADMM C[C@H](CNC(=O)c1cnn(C2CCC2)c1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575052837 951471374 /nfs/dbraw/zinc/47/13/74/951471374.db2.gz OZRSAXMGPBVKKU-NSHDSACASA-N -1 1 382.432 1.056 20 0 GDADMM C[C@H](CNC(=O)c1cnn(C2CCC2)c1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575052837 951471382 /nfs/dbraw/zinc/47/13/82/951471382.db2.gz OZRSAXMGPBVKKU-NSHDSACASA-N -1 1 382.432 1.056 20 0 GDADMM C[C@H](CNC(=O)c1csc(C2CC2)n1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575056181 951518300 /nfs/dbraw/zinc/51/83/00/951518300.db2.gz GHGIDPKMCGCTII-SECBINFHSA-N -1 1 385.457 1.245 20 0 GDADMM C[C@H](CNC(=O)c1csc(C2CC2)n1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575056181 951518307 /nfs/dbraw/zinc/51/83/07/951518307.db2.gz GHGIDPKMCGCTII-SECBINFHSA-N -1 1 385.457 1.245 20 0 GDADMM C[C@H](CNC(=O)c1nccs1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575065248 951581910 /nfs/dbraw/zinc/58/19/10/951581910.db2.gz AKJCEULSWODRPH-ZCFIWIBFSA-N -1 1 384.878 1.911 20 0 GDADMM C[C@H](CNC(=O)c1nccs1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575065248 951581919 /nfs/dbraw/zinc/58/19/19/951581919.db2.gz AKJCEULSWODRPH-ZCFIWIBFSA-N -1 1 384.878 1.911 20 0 GDADMM CC(C)Oc1cccnc1C(=O)NC[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575066012 951593200 /nfs/dbraw/zinc/59/32/00/951593200.db2.gz CZXPKYMBLNQCAI-LLVKDONJSA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1cccnc1C(=O)NC[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575066012 951593208 /nfs/dbraw/zinc/59/32/08/951593208.db2.gz CZXPKYMBLNQCAI-LLVKDONJSA-N -1 1 383.416 1.069 20 0 GDADMM C[C@H](CNC(=O)c1noc2c1CCCC2)CNc1nccnc1-c1nnn[n-]1 ZINC001575066894 951599144 /nfs/dbraw/zinc/59/91/44/951599144.db2.gz NLVQBDIDTWQPDI-JTQLQIEISA-N -1 1 383.416 1.002 20 0 GDADMM C[C@H](CNC(=O)c1noc2c1CCCC2)CNc1nccnc1-c1nn[n-]n1 ZINC001575066894 951599151 /nfs/dbraw/zinc/59/91/51/951599151.db2.gz NLVQBDIDTWQPDI-JTQLQIEISA-N -1 1 383.416 1.002 20 0 GDADMM C[C@@H](CNC(=O)c1ncoc1C(C)(C)C)CNc1nccnc1-c1nnn[n-]1 ZINC001575068073 951629787 /nfs/dbraw/zinc/62/97/87/951629787.db2.gz WZGJUNANZUOYJX-SNVBAGLBSA-N -1 1 385.432 1.420 20 0 GDADMM C[C@@H](CNC(=O)c1ncoc1C(C)(C)C)CNc1nccnc1-c1nn[n-]n1 ZINC001575068073 951629792 /nfs/dbraw/zinc/62/97/92/951629792.db2.gz WZGJUNANZUOYJX-SNVBAGLBSA-N -1 1 385.432 1.420 20 0 GDADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)[C@H]1CCC1(F)F)C1CC1 ZINC001575123632 952016792 /nfs/dbraw/zinc/01/67/92/952016792.db2.gz BKTNPNQZARYZJV-MEBBXXQBSA-N -1 1 378.387 1.399 20 0 GDADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)[C@H]1CCC1(F)F)C1CC1 ZINC001575123632 952016802 /nfs/dbraw/zinc/01/68/02/952016802.db2.gz BKTNPNQZARYZJV-MEBBXXQBSA-N -1 1 378.387 1.399 20 0 GDADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)c1ccccc1F)C1CC1 ZINC001575128807 952073109 /nfs/dbraw/zinc/07/31/09/952073109.db2.gz MNZDKMRPRYABJP-SFHVURJKSA-N -1 1 382.403 1.806 20 0 GDADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)c1ccccc1F)C1CC1 ZINC001575128807 952073119 /nfs/dbraw/zinc/07/31/19/952073119.db2.gz MNZDKMRPRYABJP-SFHVURJKSA-N -1 1 382.403 1.806 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)C1(c2ccccn2)CC1 ZINC001575132946 952100502 /nfs/dbraw/zinc/10/05/02/952100502.db2.gz ITCZQYMBNOYGIF-GFCCVEGCSA-N -1 1 379.428 1.042 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)C1(c2ccccn2)CC1 ZINC001575132946 952100507 /nfs/dbraw/zinc/10/05/07/952100507.db2.gz ITCZQYMBNOYGIF-GFCCVEGCSA-N -1 1 379.428 1.042 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ccnn1C1CCC1 ZINC001575133362 952103654 /nfs/dbraw/zinc/10/36/54/952103654.db2.gz FHBGCNCSNYOCMF-LLVKDONJSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ccnn1C1CCC1 ZINC001575133362 952103659 /nfs/dbraw/zinc/10/36/59/952103659.db2.gz FHBGCNCSNYOCMF-LLVKDONJSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)CC1=CCCCC1)C1CC1 ZINC001575133824 952107823 /nfs/dbraw/zinc/10/78/23/952107823.db2.gz GVNPOXGOEHQNAQ-LJQANCHMSA-N -1 1 382.472 1.666 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H]1CCCC(F)(F)C1 ZINC001575135887 952123354 /nfs/dbraw/zinc/12/33/54/952123354.db2.gz SXWHJHMNSHGXER-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H]1CCCC(F)(F)C1 ZINC001575135887 952123361 /nfs/dbraw/zinc/12/33/61/952123361.db2.gz SXWHJHMNSHGXER-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC001575136786 952128272 /nfs/dbraw/zinc/12/82/72/952128272.db2.gz WVICWRYBXAVONI-PZLGEANOSA-N -1 1 390.451 1.501 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC001575136786 952128277 /nfs/dbraw/zinc/12/82/77/952128277.db2.gz WVICWRYBXAVONI-PZLGEANOSA-N -1 1 390.451 1.501 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001575141579 952145695 /nfs/dbraw/zinc/14/56/95/952145695.db2.gz IFHXNLYQGPDALT-VHDGCEQUSA-N -1 1 378.440 1.141 20 0 GDADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)Cc1ccsc1)C1CC1 ZINC001575144190 952162940 /nfs/dbraw/zinc/16/29/40/952162940.db2.gz UQQDWBFZMYDBGH-KRWDZBQOSA-N -1 1 384.469 1.080 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc(F)c(Cl)c1 ZINC001575144575 952167511 /nfs/dbraw/zinc/16/75/11/952167511.db2.gz JBLYNLRYKAKAAL-SECBINFHSA-N -1 1 390.810 1.444 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cccc(C(F)F)c1 ZINC001575145491 952185558 /nfs/dbraw/zinc/18/55/58/952185558.db2.gz YRGMIQHRUYUYOA-JTQLQIEISA-N -1 1 388.382 1.589 20 0 GDADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)Cc1cccs1)C1CC1 ZINC001575153977 952215224 /nfs/dbraw/zinc/21/52/24/952215224.db2.gz MYJVPXZVVVTARW-QGZVFWFLSA-N -1 1 384.469 1.658 20 0 GDADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)Cc1cccs1)C1CC1 ZINC001575153977 952215229 /nfs/dbraw/zinc/21/52/29/952215229.db2.gz MYJVPXZVVVTARW-QGZVFWFLSA-N -1 1 384.469 1.658 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575154708 952230051 /nfs/dbraw/zinc/23/00/51/952230051.db2.gz UZNNUHKBIKYHIK-KGLIPLIRSA-N -1 1 380.456 1.794 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575154708 952230058 /nfs/dbraw/zinc/23/00/58/952230058.db2.gz UZNNUHKBIKYHIK-KGLIPLIRSA-N -1 1 380.456 1.794 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1CCc2ccccc2C1 ZINC001575155499 952240680 /nfs/dbraw/zinc/24/06/80/952240680.db2.gz ZVMLLVJQAILLNV-CZUORRHYSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1CCc2ccccc2C1 ZINC001575155499 952240687 /nfs/dbraw/zinc/24/06/87/952240687.db2.gz ZVMLLVJQAILLNV-CZUORRHYSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H]1CCc2cccnc21 ZINC001575155821 952245356 /nfs/dbraw/zinc/24/53/56/952245356.db2.gz AJIDSQUZLZSFOF-YPMHNXCESA-N -1 1 379.428 1.041 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCc2cccnc21 ZINC001575155821 952245365 /nfs/dbraw/zinc/24/53/65/952245365.db2.gz AJIDSQUZLZSFOF-YPMHNXCESA-N -1 1 379.428 1.041 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1c[nH]nc1C(C)(C)C ZINC001575156030 952247108 /nfs/dbraw/zinc/24/71/08/952247108.db2.gz BPUQFWFJRDFFHE-JTQLQIEISA-N -1 1 384.448 1.250 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1c[nH]nc1C(C)(C)C ZINC001575156030 952247115 /nfs/dbraw/zinc/24/71/15/952247115.db2.gz BPUQFWFJRDFFHE-JTQLQIEISA-N -1 1 384.448 1.250 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ccnc(C2CC2)c1 ZINC001575156883 952258342 /nfs/dbraw/zinc/25/83/42/952258342.db2.gz XEBUREDWBJNSMX-LLVKDONJSA-N -1 1 379.428 1.502 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ccnc(C2CC2)c1 ZINC001575156883 952258345 /nfs/dbraw/zinc/25/83/45/952258345.db2.gz XEBUREDWBJNSMX-LLVKDONJSA-N -1 1 379.428 1.502 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H](C)Cc1ccccc1 ZINC001575157819 952267880 /nfs/dbraw/zinc/26/78/80/952267880.db2.gz POARGKCHYHIXGG-UONOGXRCSA-N -1 1 380.456 1.794 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H](C)Cc1ccccc1 ZINC001575157819 952267882 /nfs/dbraw/zinc/26/78/82/952267882.db2.gz POARGKCHYHIXGG-UONOGXRCSA-N -1 1 380.456 1.794 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1ccc2c(c1)CCC2 ZINC001575158415 952271565 /nfs/dbraw/zinc/27/15/65/952271565.db2.gz VBGIAGPICUKGAZ-GFCCVEGCSA-N -1 1 378.440 1.718 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc2c(c1)CCC2 ZINC001575158415 952271570 /nfs/dbraw/zinc/27/15/70/952271570.db2.gz VBGIAGPICUKGAZ-GFCCVEGCSA-N -1 1 378.440 1.718 20 0 GDADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)COCC1CC1 ZINC001575164503 952293647 /nfs/dbraw/zinc/29/36/47/952293647.db2.gz DZNIYNNKBZRJRZ-MRVPVSSYSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)C1=COCCO1 ZINC001575164752 952299505 /nfs/dbraw/zinc/29/95/05/952299505.db2.gz HFUGZZJOILMZEN-ZETCQYMHSA-N -1 1 385.837 1.124 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)C1=COCCO1 ZINC001575164752 952299511 /nfs/dbraw/zinc/29/95/11/952299511.db2.gz HFUGZZJOILMZEN-ZETCQYMHSA-N -1 1 385.837 1.124 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)C[C@@H]1CCCO1 ZINC001575165285 952305457 /nfs/dbraw/zinc/30/54/57/952305457.db2.gz MVRJUVGLALXSHS-IUCAKERBSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)C[C@@H]1CCCO1 ZINC001575165285 952305466 /nfs/dbraw/zinc/30/54/66/952305466.db2.gz MVRJUVGLALXSHS-IUCAKERBSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)[C@@H]1Cc2ccccc21)C1CC1 ZINC001575175179 952383392 /nfs/dbraw/zinc/38/33/92/952383392.db2.gz VQOZSAKCYZOWEK-FOIQADDNSA-N -1 1 390.451 1.693 20 0 GDADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)[C@@H]1Cc2ccccc21)C1CC1 ZINC001575175179 952383396 /nfs/dbraw/zinc/38/33/96/952383396.db2.gz VQOZSAKCYZOWEK-FOIQADDNSA-N -1 1 390.451 1.693 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)c1cccnc1 ZINC001575180120 952415851 /nfs/dbraw/zinc/41/58/51/952415851.db2.gz RQZOMAAPFDUFQK-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)c1cccnc1 ZINC001575180120 952415855 /nfs/dbraw/zinc/41/58/55/952415855.db2.gz RQZOMAAPFDUFQK-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](Cc1cccc(F)c1)C(=O)NCCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575187548 952442139 /nfs/dbraw/zinc/44/21/39/952442139.db2.gz CVHNIEVAISRZPP-LBPRGKRZSA-N -1 1 384.419 1.227 20 0 GDADMM C[C@@H](Cc1cccc(F)c1)C(=O)NCCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575187548 952442142 /nfs/dbraw/zinc/44/21/42/952442142.db2.gz CVHNIEVAISRZPP-LBPRGKRZSA-N -1 1 384.419 1.227 20 0 GDADMM CC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571114334 952453094 /nfs/dbraw/zinc/45/30/94/952453094.db2.gz GXVMNZPJQVKMHI-BDAKNGLRSA-N -1 1 375.380 1.843 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H](C)Cc1ccccc1F ZINC001575189813 952458867 /nfs/dbraw/zinc/45/88/67/952458867.db2.gz QUFMRLSIALYMBX-VXGBXAGGSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H](C)Cc1ccccc1F ZINC001575189813 952458874 /nfs/dbraw/zinc/45/88/74/952458874.db2.gz QUFMRLSIALYMBX-VXGBXAGGSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@@H](Cc1ccccc1Cl)C(=O)NCCNc1cncc(-c2nnn[n-]2)n1 ZINC001575191870 952469967 /nfs/dbraw/zinc/46/99/67/952469967.db2.gz ZASUBCQBIBTBEB-NSHDSACASA-N -1 1 386.847 1.717 20 0 GDADMM C[C@@H](Cc1ccccc1Cl)C(=O)NCCNc1cncc(-c2nn[n-]n2)n1 ZINC001575191870 952469968 /nfs/dbraw/zinc/46/99/68/952469968.db2.gz ZASUBCQBIBTBEB-NSHDSACASA-N -1 1 386.847 1.717 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001575195843 952473377 /nfs/dbraw/zinc/47/33/77/952473377.db2.gz BYHKLFSPAOPMNQ-CHWSQXEVSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001575195843 952473378 /nfs/dbraw/zinc/47/33/78/952473378.db2.gz BYHKLFSPAOPMNQ-CHWSQXEVSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575196159 952474664 /nfs/dbraw/zinc/47/46/64/952474664.db2.gz DWAOIUAHPFQIKV-RWMBFGLXSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575196159 952474666 /nfs/dbraw/zinc/47/46/66/952474666.db2.gz DWAOIUAHPFQIKV-RWMBFGLXSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575197032 952479572 /nfs/dbraw/zinc/47/95/72/952479572.db2.gz MCSOSOPGEPTKRV-CHWSQXEVSA-N -1 1 382.428 1.071 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575197304 952481543 /nfs/dbraw/zinc/48/15/43/952481543.db2.gz SJTAMNXSWBMUQB-OLZOCXBDSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001575197598 952485628 /nfs/dbraw/zinc/48/56/28/952485628.db2.gz XKJGCCYTOGOVKC-SMDDNHRTSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001575197598 952485631 /nfs/dbraw/zinc/48/56/31/952485631.db2.gz XKJGCCYTOGOVKC-SMDDNHRTSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001575197595 952486082 /nfs/dbraw/zinc/48/60/82/952486082.db2.gz XKJGCCYTOGOVKC-BXUZGUMPSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001575197595 952486088 /nfs/dbraw/zinc/48/60/88/952486088.db2.gz XKJGCCYTOGOVKC-BXUZGUMPSA-N -1 1 382.428 1.435 20 0 GDADMM O=C(NC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1)[C@H]1Cc2ccccc21 ZINC001571119571 952491975 /nfs/dbraw/zinc/49/19/75/952491975.db2.gz CRAJLNSUZNLDOU-ZFWWWQNUSA-N -1 1 376.424 1.082 20 0 GDADMM O=C(NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1)[C@H]1Cc2ccccc21 ZINC001571119571 952491977 /nfs/dbraw/zinc/49/19/77/952491977.db2.gz CRAJLNSUZNLDOU-ZFWWWQNUSA-N -1 1 376.424 1.082 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575200231 952494552 /nfs/dbraw/zinc/49/45/52/952494552.db2.gz AYLKGXQQCNVZIJ-JHJVBQTASA-N -1 1 382.428 1.435 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575200231 952494557 /nfs/dbraw/zinc/49/45/57/952494557.db2.gz AYLKGXQQCNVZIJ-JHJVBQTASA-N -1 1 382.428 1.435 20 0 GDADMM O=C(NC[C@H](O)Cc1cccc(Cl)c1)c1cccc(F)c1-c1nnn[n-]1 ZINC001571119929 952497163 /nfs/dbraw/zinc/49/71/63/952497163.db2.gz HCGINMLNLZMLJQ-GFCCVEGCSA-N -1 1 375.791 1.993 20 0 GDADMM O=C(NC[C@H](O)Cc1cccc(Cl)c1)c1cccc(F)c1-c1nn[n-]n1 ZINC001571119929 952497166 /nfs/dbraw/zinc/49/71/66/952497166.db2.gz HCGINMLNLZMLJQ-GFCCVEGCSA-N -1 1 375.791 1.993 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001575202877 952516300 /nfs/dbraw/zinc/51/63/00/952516300.db2.gz PZGQKOUSQCCQJO-JHJVBQTASA-N -1 1 382.428 1.435 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001575202877 952516307 /nfs/dbraw/zinc/51/63/07/952516307.db2.gz PZGQKOUSQCCQJO-JHJVBQTASA-N -1 1 382.428 1.435 20 0 GDADMM CC(C)[C@@H](F)C(=O)N1CCC[C@@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571121663 952520630 /nfs/dbraw/zinc/52/06/30/952520630.db2.gz BJMUHCLJFZBEKK-GXTWGEPZSA-N -1 1 376.440 1.113 20 0 GDADMM O=C(c1ccccn1)N1CC[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571121933 952524124 /nfs/dbraw/zinc/52/41/24/952524124.db2.gz FLJXRJIOQPVKNP-QMMMGPOBSA-N -1 1 376.833 1.698 20 0 GDADMM O=C(c1ccccn1)N1CC[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571121933 952524126 /nfs/dbraw/zinc/52/41/26/952524126.db2.gz FLJXRJIOQPVKNP-QMMMGPOBSA-N -1 1 376.833 1.698 20 0 GDADMM CCc1nc(NC[C@@H]2CCCCN2C(=O)[C@@H](F)CC)cc(-c2nnn[n-]2)n1 ZINC001571123083 952527382 /nfs/dbraw/zinc/52/73/82/952527382.db2.gz NWQKDRRSXORPIY-RYUDHWBXSA-N -1 1 376.440 1.760 20 0 GDADMM CCc1nc(NC[C@@H]2CCCCN2C(=O)[C@@H](F)CC)cc(-c2nn[n-]n2)n1 ZINC001571123083 952527386 /nfs/dbraw/zinc/52/73/86/952527386.db2.gz NWQKDRRSXORPIY-RYUDHWBXSA-N -1 1 376.440 1.760 20 0 GDADMM CS[C@@H](C)C(=O)N1CCC([C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571123372 952529685 /nfs/dbraw/zinc/52/96/85/952529685.db2.gz QTXFYTHDAFIFOK-QWRGUYRKSA-N -1 1 376.490 1.447 20 0 GDADMM CS[C@@H](C)C(=O)N1CCC([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571123372 952529691 /nfs/dbraw/zinc/52/96/91/952529691.db2.gz QTXFYTHDAFIFOK-QWRGUYRKSA-N -1 1 376.490 1.447 20 0 GDADMM Cc1nsc(NC[C@@H]2CCCN(C(=O)[C@H]3CCCO3)C2)c1-c1nn[n-]n1 ZINC001571127380 952553550 /nfs/dbraw/zinc/55/35/50/952553550.db2.gz FXFYCSXAWDWMLN-NWDGAFQWSA-N -1 1 377.474 1.461 20 0 GDADMM CC[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571127329 952553874 /nfs/dbraw/zinc/55/38/74/952553874.db2.gz DFIDVRCPSJUFPH-UTUOFQBUSA-N -1 1 377.474 1.460 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001575214173 952562296 /nfs/dbraw/zinc/56/22/96/952562296.db2.gz JUQHIZYHWOVSRC-SNVBAGLBSA-N -1 1 380.403 1.645 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001575214173 952562301 /nfs/dbraw/zinc/56/23/01/952562301.db2.gz JUQHIZYHWOVSRC-SNVBAGLBSA-N -1 1 380.403 1.645 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575215558 952568945 /nfs/dbraw/zinc/56/89/45/952568945.db2.gz VRLRGFBXZREWLU-SNVBAGLBSA-N -1 1 380.403 1.281 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575215558 952568950 /nfs/dbraw/zinc/56/89/50/952568950.db2.gz VRLRGFBXZREWLU-SNVBAGLBSA-N -1 1 380.403 1.281 20 0 GDADMM O=C(c1ncc(Cl)s1)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571128728 952569610 /nfs/dbraw/zinc/56/96/10/952569610.db2.gz XFIPOCACFKASPM-SSDOTTSWSA-N -1 1 377.821 1.093 20 0 GDADMM O=C(c1ncc(Cl)s1)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571128728 952569613 /nfs/dbraw/zinc/56/96/13/952569613.db2.gz XFIPOCACFKASPM-SSDOTTSWSA-N -1 1 377.821 1.093 20 0 GDADMM Cn1cc(Br)c(CNC(=O)Nc2ccnc(-c3nnn[n-]3)c2)n1 ZINC001571129668 952576379 /nfs/dbraw/zinc/57/63/79/952576379.db2.gz HKSGVESNLKFGRB-UHFFFAOYSA-N -1 1 378.194 1.079 20 0 GDADMM Cn1cc(Br)c(CNC(=O)Nc2ccnc(-c3nn[n-]n3)c2)n1 ZINC001571129668 952576383 /nfs/dbraw/zinc/57/63/83/952576383.db2.gz HKSGVESNLKFGRB-UHFFFAOYSA-N -1 1 378.194 1.079 20 0 GDADMM Cc1onc(CC(=O)Nc2cc(Br)cnc2C)c1-c1nnn[n-]1 ZINC001571129934 952577427 /nfs/dbraw/zinc/57/74/27/952577427.db2.gz LPJHGPCEIWYYHS-UHFFFAOYSA-N -1 1 378.190 1.810 20 0 GDADMM Cc1onc(CC(=O)Nc2cc(Br)cnc2C)c1-c1nn[n-]n1 ZINC001571129934 952577431 /nfs/dbraw/zinc/57/74/31/952577431.db2.gz LPJHGPCEIWYYHS-UHFFFAOYSA-N -1 1 378.190 1.810 20 0 GDADMM O=C(Nc1ccc(-n2[n-]c(C3CC3)cc2=O)nc1)c1ccc(-c2nn[nH]n2)o1 ZINC001571129851 952577508 /nfs/dbraw/zinc/57/75/08/952577508.db2.gz KPKRQHGBKFEQEH-UHFFFAOYSA-N -1 1 378.352 1.610 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)[C@H]1CCCCC1(F)F ZINC001571130216 952579826 /nfs/dbraw/zinc/57/98/26/952579826.db2.gz PWMGXSLLHZJXDE-OUAUKWLOSA-N -1 1 378.387 1.541 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)[C@H]1CCCCC1(F)F ZINC001571130216 952579830 /nfs/dbraw/zinc/57/98/30/952579830.db2.gz PWMGXSLLHZJXDE-OUAUKWLOSA-N -1 1 378.387 1.541 20 0 GDADMM O=C([C@@H]1CCC1(F)F)N1CCC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571130732 952581598 /nfs/dbraw/zinc/58/15/98/952581598.db2.gz VSEBBRMVSRJTGW-QWRGUYRKSA-N -1 1 378.387 1.353 20 0 GDADMM O=C([C@@H]1CCC1(F)F)N1CCC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571130732 952581603 /nfs/dbraw/zinc/58/16/03/952581603.db2.gz VSEBBRMVSRJTGW-QWRGUYRKSA-N -1 1 378.387 1.353 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H](N(C)c3ccc(-c4nnn[n-]4)nn3)C2)c(C)c1 ZINC001571134053 952584990 /nfs/dbraw/zinc/58/49/90/952584990.db2.gz COQTZCJLFUCBGU-CQSZACIVSA-N -1 1 378.440 1.624 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H](N(C)c3ccc(-c4nn[n-]n4)nn3)C2)c(C)c1 ZINC001571134053 952584996 /nfs/dbraw/zinc/58/49/96/952584996.db2.gz COQTZCJLFUCBGU-CQSZACIVSA-N -1 1 378.440 1.624 20 0 GDADMM C[C@H](C(=O)N(C)C1CC(Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001571134145 952586461 /nfs/dbraw/zinc/58/64/61/952586461.db2.gz AYXKYRPLFNPUQL-GRTSSRMGSA-N -1 1 378.440 1.862 20 0 GDADMM C[C@H](C(=O)N(C)C1CC(Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001571134145 952586463 /nfs/dbraw/zinc/58/64/63/952586463.db2.gz AYXKYRPLFNPUQL-GRTSSRMGSA-N -1 1 378.440 1.862 20 0 GDADMM Cc1cc(C)cc(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)[C@@H]2C)c1 ZINC001571134448 952591071 /nfs/dbraw/zinc/59/10/71/952591071.db2.gz GOFIFQYWTABJHG-HIFRSBDPSA-N -1 1 378.440 1.671 20 0 GDADMM Cc1cc(C)cc(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)[C@@H]2C)c1 ZINC001571134448 952591076 /nfs/dbraw/zinc/59/10/76/952591076.db2.gz GOFIFQYWTABJHG-HIFRSBDPSA-N -1 1 378.440 1.671 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@@H](C)C2)c1 ZINC001571134810 952595152 /nfs/dbraw/zinc/59/51/52/952595152.db2.gz NDJKRCJKEXOSAI-ZFWWWQNUSA-N -1 1 378.440 1.350 20 0 GDADMM C[C@@H](C(=O)N(C)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001571134743 952595327 /nfs/dbraw/zinc/59/53/27/952595327.db2.gz KWEKKTZAPSVETK-HIFRSBDPSA-N -1 1 378.440 1.498 20 0 GDADMM C[C@@H](C(=O)N(C)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001571134743 952595329 /nfs/dbraw/zinc/59/53/29/952595329.db2.gz KWEKKTZAPSVETK-HIFRSBDPSA-N -1 1 378.440 1.498 20 0 GDADMM C[C@@H](NC(=O)c1ccccc1)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571135059 952599290 /nfs/dbraw/zinc/59/92/90/952599290.db2.gz OSEZUTZUIDFJFJ-CYBMUJFWSA-N -1 1 378.440 1.692 20 0 GDADMM C[C@@H](NC(=O)c1ccccc1)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571135059 952599295 /nfs/dbraw/zinc/59/92/95/952599295.db2.gz OSEZUTZUIDFJFJ-CYBMUJFWSA-N -1 1 378.440 1.692 20 0 GDADMM Cc1ccccc1C(=O)N[C@H]1CC[C@@H](C)N(c2nccnc2-c2nnn[n-]2)C1 ZINC001571135437 952603637 /nfs/dbraw/zinc/60/36/37/952603637.db2.gz XRVLOPFROWWLRH-KGLIPLIRSA-N -1 1 378.440 1.752 20 0 GDADMM Cc1ccccc1C(=O)N[C@H]1CC[C@@H](C)N(c2nccnc2-c2nn[n-]n2)C1 ZINC001571135437 952603640 /nfs/dbraw/zinc/60/36/40/952603640.db2.gz XRVLOPFROWWLRH-KGLIPLIRSA-N -1 1 378.440 1.752 20 0 GDADMM COC(=O)CC[C@@H]1CCCN(C(=O)NCc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571141663 952634910 /nfs/dbraw/zinc/63/49/10/952634910.db2.gz JXHRTCPPZYFYNN-NSHDSACASA-N -1 1 378.458 1.803 20 0 GDADMM O=C(Cc1ccc[nH]1)N[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571142680 952644899 /nfs/dbraw/zinc/64/48/99/952644899.db2.gz VFUWRHLPVHZCON-SECBINFHSA-N -1 1 378.849 1.242 20 0 GDADMM O=C(CCc1ccccn1)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571147048 952656690 /nfs/dbraw/zinc/65/66/90/952656690.db2.gz RAJVDMVQKSLXIH-CQSZACIVSA-N -1 1 379.428 1.087 20 0 GDADMM O=C(CCc1ccccn1)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571147048 952656695 /nfs/dbraw/zinc/65/66/95/952656695.db2.gz RAJVDMVQKSLXIH-CQSZACIVSA-N -1 1 379.428 1.087 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1)c1cccnc1 ZINC001571147727 952663850 /nfs/dbraw/zinc/66/38/50/952663850.db2.gz PCFPCVHHUJRQDO-OCCSQVGLSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1)c1cccnc1 ZINC001571147727 952663854 /nfs/dbraw/zinc/66/38/54/952663854.db2.gz PCFPCVHHUJRQDO-OCCSQVGLSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)c1cccnc1 ZINC001571147728 952663870 /nfs/dbraw/zinc/66/38/70/952663870.db2.gz PCFPCVHHUJRQDO-TZMCWYRMSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)c1cccnc1 ZINC001571147728 952663874 /nfs/dbraw/zinc/66/38/74/952663874.db2.gz PCFPCVHHUJRQDO-TZMCWYRMSA-N -1 1 379.428 1.258 20 0 GDADMM CC[C@@H](NCc1nc(-c2nnn[n-]2)cs1)c1cccc(S(N)(=O)=O)c1 ZINC001571151110 952672391 /nfs/dbraw/zinc/67/23/91/952672391.db2.gz LQODOQIOGZXIMA-LLVKDONJSA-N -1 1 379.471 1.212 20 0 GDADMM CC[C@@H](NCc1nc(-c2nn[n-]n2)cs1)c1cccc(S(N)(=O)=O)c1 ZINC001571151110 952672395 /nfs/dbraw/zinc/67/23/95/952672395.db2.gz LQODOQIOGZXIMA-LLVKDONJSA-N -1 1 379.471 1.212 20 0 GDADMM Cn1cnc(C(=O)N[C@H]2C[C@@H](Nc3nc(Cl)c(-c4nnn[n-]4)s3)C2)c1 ZINC001571151996 952679918 /nfs/dbraw/zinc/67/99/18/952679918.db2.gz AUHJGJXUAICAPE-KNVOCYPGSA-N -1 1 379.837 1.083 20 0 GDADMM Cn1cnc(C(=O)N[C@H]2C[C@@H](Nc3nc(Cl)c(-c4nn[n-]n4)s3)C2)c1 ZINC001571151996 952679931 /nfs/dbraw/zinc/67/99/31/952679931.db2.gz AUHJGJXUAICAPE-KNVOCYPGSA-N -1 1 379.837 1.083 20 0 GDADMM Cc1nc(CC(=O)Nc2ccc(Br)c(-c3nnn[n-]3)n2)cs1 ZINC001571153316 952685245 /nfs/dbraw/zinc/68/52/45/952685245.db2.gz ODJHILLLNSOUFE-UHFFFAOYSA-N -1 1 380.231 1.970 20 0 GDADMM Cc1nc(CC(=O)Nc2ccc(Br)c(-c3nn[n-]n3)n2)cs1 ZINC001571153316 952685247 /nfs/dbraw/zinc/68/52/47/952685247.db2.gz ODJHILLLNSOUFE-UHFFFAOYSA-N -1 1 380.231 1.970 20 0 GDADMM Cn1ccnc1[C@H](CC(=O)NCc1ccnc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001571153357 952686346 /nfs/dbraw/zinc/68/63/46/952686346.db2.gz PMPAZICAZJRSIQ-JTQLQIEISA-N -1 1 380.334 1.348 20 0 GDADMM Cn1ccnc1[C@H](CC(=O)NCc1ccnc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001571153357 952686350 /nfs/dbraw/zinc/68/63/50/952686350.db2.gz PMPAZICAZJRSIQ-JTQLQIEISA-N -1 1 380.334 1.348 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](CCNc2nccnc2-c2nnn[n-]2)C1)C(F)F ZINC001571155094 952692305 /nfs/dbraw/zinc/69/23/05/952692305.db2.gz HQTQEEFWPBXVNK-JTQLQIEISA-N -1 1 380.403 1.599 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](CCNc2nccnc2-c2nn[n-]n2)C1)C(F)F ZINC001571155094 952692308 /nfs/dbraw/zinc/69/23/08/952692308.db2.gz HQTQEEFWPBXVNK-JTQLQIEISA-N -1 1 380.403 1.599 20 0 GDADMM CCc1nc(N[C@H]2CCN(C(=O)C(C)(C)C(F)F)C2)cc(-c2nnn[n-]2)n1 ZINC001571155210 952693684 /nfs/dbraw/zinc/69/36/84/952693684.db2.gz KVRNLKGBZCLBTG-VIFPVBQESA-N -1 1 380.403 1.523 20 0 GDADMM CCc1nc(N[C@H]2CCN(C(=O)C(C)(C)C(F)F)C2)cc(-c2nn[n-]n2)n1 ZINC001571155210 952693689 /nfs/dbraw/zinc/69/36/89/952693689.db2.gz KVRNLKGBZCLBTG-VIFPVBQESA-N -1 1 380.403 1.523 20 0 GDADMM Cc1ccc(C(=O)N2CCC(C)(Nc3ccc(-c4nnn[n-]4)nn3)CC2)cn1 ZINC001571156522 952702327 /nfs/dbraw/zinc/70/23/27/952702327.db2.gz COHNRZUQLRYDJT-UHFFFAOYSA-N -1 1 379.428 1.467 20 0 GDADMM Cc1ccc(C(=O)N2CCC(C)(Nc3ccc(-c4nn[n-]n4)nn3)CC2)cn1 ZINC001571156522 952702330 /nfs/dbraw/zinc/70/23/30/952702330.db2.gz COHNRZUQLRYDJT-UHFFFAOYSA-N -1 1 379.428 1.467 20 0 GDADMM Cc1cncc(C(=O)N2CCC[C@@H]2CN(C)c2ccnc(-c3nn[n-]n3)n2)c1 ZINC001571156852 952705508 /nfs/dbraw/zinc/70/55/08/952705508.db2.gz LIKSAFYBXFYGHA-CQSZACIVSA-N -1 1 379.428 1.101 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccco2)CCN1c1nccnc1-c1nnn[n-]1 ZINC001571158333 952710850 /nfs/dbraw/zinc/71/08/50/952710850.db2.gz HNAAMLUJOMBXBX-LPWJVIDDSA-N -1 1 380.412 1.137 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccco2)CCN1c1nccnc1-c1nn[n-]n1 ZINC001571158333 952710853 /nfs/dbraw/zinc/71/08/53/952710853.db2.gz HNAAMLUJOMBXBX-LPWJVIDDSA-N -1 1 380.412 1.137 20 0 GDADMM Cc1cncc(C(=O)N[C@H]2CC[C@H](C)N(c3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571158861 952715018 /nfs/dbraw/zinc/71/50/18/952715018.db2.gz SQBOGPJIJAIBBD-JSGCOSHPSA-N -1 1 379.428 1.147 20 0 GDADMM Cc1cncc(C(=O)N[C@H]2CC[C@H](C)N(c3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571158861 952715020 /nfs/dbraw/zinc/71/50/20/952715020.db2.gz SQBOGPJIJAIBBD-JSGCOSHPSA-N -1 1 379.428 1.147 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(c2cncc(-c4nnn[n-]4)n2)C3)o1 ZINC001571159298 952718732 /nfs/dbraw/zinc/71/87/32/952718732.db2.gz UCOAWVWTASISRJ-AVGNSLFASA-N -1 1 380.412 1.345 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(c2cncc(-c4nn[n-]n4)n2)C3)o1 ZINC001571159298 952718736 /nfs/dbraw/zinc/71/87/36/952718736.db2.gz UCOAWVWTASISRJ-AVGNSLFASA-N -1 1 380.412 1.345 20 0 GDADMM O=C(NC[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccoc1C1CC1 ZINC001571160057 952723206 /nfs/dbraw/zinc/72/32/06/952723206.db2.gz CBJNIZRPRHSNEN-UMSPYCQHSA-N -1 1 380.412 1.748 20 0 GDADMM O=C(NC[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccoc1C1CC1 ZINC001571160057 952723210 /nfs/dbraw/zinc/72/32/10/952723210.db2.gz CBJNIZRPRHSNEN-UMSPYCQHSA-N -1 1 380.412 1.748 20 0 GDADMM O=C(Cc1ccoc1)N1CC[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001571160096 952724057 /nfs/dbraw/zinc/72/40/57/952724057.db2.gz DNDJAJWGSVDSLM-KGLIPLIRSA-N -1 1 380.412 1.062 20 0 GDADMM O=C(Cc1ccoc1)N1CC[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001571160096 952724058 /nfs/dbraw/zinc/72/40/58/952724058.db2.gz DNDJAJWGSVDSLM-KGLIPLIRSA-N -1 1 380.412 1.062 20 0 GDADMM Cc1ccoc1C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2 ZINC001571161084 952730918 /nfs/dbraw/zinc/73/09/18/952730918.db2.gz QIHXNHMXEBKGCA-OLZOCXBDSA-N -1 1 380.412 1.711 20 0 GDADMM Cc1ccoc1C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2 ZINC001571161084 952730926 /nfs/dbraw/zinc/73/09/26/952730926.db2.gz QIHXNHMXEBKGCA-OLZOCXBDSA-N -1 1 380.412 1.711 20 0 GDADMM COc1ncc(NC(=O)N[C@@]2(CO)CCc3ccccc32)cc1-c1nn[n-]n1 ZINC001571169973 952781649 /nfs/dbraw/zinc/78/16/49/952781649.db2.gz BFWPFIFHGLGTAC-GOSISDBHSA-N -1 1 381.396 1.226 20 0 GDADMM C[C@H]1CN(C(=O)c2ocnc2C2CC2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571170681 952788123 /nfs/dbraw/zinc/78/81/23/952788123.db2.gz KOMGZSCKHDIDAL-JOYOIKCWSA-N -1 1 381.400 1.095 20 0 GDADMM C[C@H]1CN(C(=O)c2ocnc2C2CC2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571170681 952788126 /nfs/dbraw/zinc/78/81/26/952788126.db2.gz KOMGZSCKHDIDAL-JOYOIKCWSA-N -1 1 381.400 1.095 20 0 GDADMM C[C@@H]1[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCN1C(=O)c1ccon1 ZINC001571171542 952794038 /nfs/dbraw/zinc/79/40/38/952794038.db2.gz BRXVPYIISGQILV-RNFRBKRXSA-N -1 1 380.821 1.680 20 0 GDADMM C[C@@H]1[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCN1C(=O)c1ccon1 ZINC001571171542 952794040 /nfs/dbraw/zinc/79/40/40/952794040.db2.gz BRXVPYIISGQILV-RNFRBKRXSA-N -1 1 380.821 1.680 20 0 GDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)NCc1ccnc(OC(F)F)c1 ZINC001571171991 952800515 /nfs/dbraw/zinc/80/05/15/952800515.db2.gz ZSRSLUCCNWYGIZ-UHFFFAOYSA-N -1 1 381.368 1.924 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1)n1cccc1 ZINC001571181014 952862860 /nfs/dbraw/zinc/86/28/60/952862860.db2.gz SYOTVPBHCUCKAA-UONOGXRCSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1)n1cccc1 ZINC001571181014 952862868 /nfs/dbraw/zinc/86/28/68/952862868.db2.gz SYOTVPBHCUCKAA-UONOGXRCSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C)n1cccc1 ZINC001571181394 952864060 /nfs/dbraw/zinc/86/40/60/952864060.db2.gz WAZVBOBQELBSQN-TZMCWYRMSA-N -1 1 381.444 1.050 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C)n1cccc1 ZINC001571181394 952864063 /nfs/dbraw/zinc/86/40/63/952864063.db2.gz WAZVBOBQELBSQN-TZMCWYRMSA-N -1 1 381.444 1.050 20 0 GDADMM O=C(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(F)c1)CC1CCCCC1 ZINC001571183120 952874348 /nfs/dbraw/zinc/87/43/48/952874348.db2.gz PDECJVKIHFKRCU-UHFFFAOYSA-N -1 1 381.433 1.824 20 0 GDADMM C[C@H]1CN(C(=O)Cc2ccc[nH]2)CC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571183601 952880809 /nfs/dbraw/zinc/88/08/09/952880809.db2.gz FKZPRLCPOXPPFT-QWHCGFSZSA-N -1 1 381.444 1.124 20 0 GDADMM C[C@H]1CN(C(=O)Cc2ccc[nH]2)CC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571183601 952880813 /nfs/dbraw/zinc/88/08/13/952880813.db2.gz FKZPRLCPOXPPFT-QWHCGFSZSA-N -1 1 381.444 1.124 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N(C)C[C@@H]2CCN(C(=O)c3ccc[nH]3)C2)n1 ZINC001571184014 952887095 /nfs/dbraw/zinc/88/70/95/952887095.db2.gz ONZHZBYFURQJRC-LBPRGKRZSA-N -1 1 381.444 1.146 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N(C)C[C@@H]2CCN(C(=O)c3ccc[nH]3)C2)n1 ZINC001571184014 952887102 /nfs/dbraw/zinc/88/71/02/952887102.db2.gz ONZHZBYFURQJRC-LBPRGKRZSA-N -1 1 381.444 1.146 20 0 GDADMM Cc1c(C(=O)N[C@@H]2CC[C@@H](C)N(c3ccnc(-c4nn[n-]n4)n3)C2)ccn1C ZINC001571184635 952895404 /nfs/dbraw/zinc/89/54/04/952895404.db2.gz BZODGWOCPUSYLM-DGCLKSJQSA-N -1 1 381.444 1.091 20 0 GDADMM Cc1[nH]ccc1C(=O)N1C[C@H](C)[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571185512 952902207 /nfs/dbraw/zinc/90/22/07/952902207.db2.gz MRXFNZLLHLTRFE-GWCFXTLKSA-N -1 1 381.444 1.422 20 0 GDADMM Cc1[nH]ccc1C(=O)N1C[C@H](C)[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571185512 952902211 /nfs/dbraw/zinc/90/22/11/952902211.db2.gz MRXFNZLLHLTRFE-GWCFXTLKSA-N -1 1 381.444 1.422 20 0 GDADMM Cc1c(C(=O)N2CCC(N(C)c3nccnc3-c3nnn[n-]3)CC2)ccn1C ZINC001571185821 952904599 /nfs/dbraw/zinc/90/45/99/952904599.db2.gz QFKHPWWDJNKPNC-UHFFFAOYSA-N -1 1 381.444 1.045 20 0 GDADMM Cc1c(C(=O)N2CCC(N(C)c3nccnc3-c3nn[n-]n3)CC2)ccn1C ZINC001571185821 952904601 /nfs/dbraw/zinc/90/46/01/952904601.db2.gz QFKHPWWDJNKPNC-UHFFFAOYSA-N -1 1 381.444 1.045 20 0 GDADMM Cc1ccn(C)c1C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC001571188327 952913338 /nfs/dbraw/zinc/91/33/38/952913338.db2.gz IOFBSLCRMMSQBK-OLZOCXBDSA-N -1 1 381.444 1.091 20 0 GDADMM Cc1ccn(C)c1C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C ZINC001571188327 952913341 /nfs/dbraw/zinc/91/33/41/952913341.db2.gz IOFBSLCRMMSQBK-OLZOCXBDSA-N -1 1 381.444 1.091 20 0 GDADMM Cc1ccn(C)c1C(=O)NC[C@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571188385 952913370 /nfs/dbraw/zinc/91/33/70/952913370.db2.gz KCIPSCGQRNVCTC-CYBMUJFWSA-N -1 1 381.444 1.093 20 0 GDADMM Cc1cc(C)c(C(=O)N2CCC[C@@H]2CN(C)c2cncc(-c3nnn[n-]3)n2)[nH]1 ZINC001571188569 952917448 /nfs/dbraw/zinc/91/74/48/952917448.db2.gz LFTVGUFAFKYELF-CYBMUJFWSA-N -1 1 381.444 1.343 20 0 GDADMM Cc1cc(C)c(C(=O)N2CCC[C@@H]2CN(C)c2cncc(-c3nn[n-]n3)n2)[nH]1 ZINC001571188569 952917455 /nfs/dbraw/zinc/91/74/55/952917455.db2.gz LFTVGUFAFKYELF-CYBMUJFWSA-N -1 1 381.444 1.343 20 0 GDADMM C[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccccc1F ZINC001571195672 952977236 /nfs/dbraw/zinc/97/72/36/952977236.db2.gz DECMQNRPYMYBDR-RYUDHWBXSA-N -1 1 382.403 1.901 20 0 GDADMM C[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccccc1F ZINC001571195672 952977240 /nfs/dbraw/zinc/97/72/40/952977240.db2.gz DECMQNRPYMYBDR-RYUDHWBXSA-N -1 1 382.403 1.901 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@@H](CNC(=O)c3ccc(F)cc3)C2)n1 ZINC001571196012 952978751 /nfs/dbraw/zinc/97/87/51/952978751.db2.gz GONVHFMKOGJPOD-VDISTLRHSA-N -1 1 382.403 1.725 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@@H](CNC(=O)c3ccc(F)cc3)C2)n1 ZINC001571196012 952978755 /nfs/dbraw/zinc/97/87/55/952978755.db2.gz GONVHFMKOGJPOD-VDISTLRHSA-N -1 1 382.403 1.725 20 0 GDADMM O=C([C@@H](F)c1ccccc1)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571197219 952986991 /nfs/dbraw/zinc/98/69/91/952986991.db2.gz ULMREASZGQUCNT-WBMJQRKESA-N -1 1 382.403 1.628 20 0 GDADMM O=C([C@@H](F)c1ccccc1)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571197219 952986993 /nfs/dbraw/zinc/98/69/93/952986993.db2.gz ULMREASZGQUCNT-WBMJQRKESA-N -1 1 382.403 1.628 20 0 GDADMM O=C([C@H](F)c1ccccc1)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571197165 952987181 /nfs/dbraw/zinc/98/71/81/952987181.db2.gz TUVUDWSKXJHPHZ-DZGCQCFKSA-N -1 1 382.403 1.192 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)c1ccc(F)cc1)c1nccnc1-c1nnn[n-]1 ZINC001571197156 952987520 /nfs/dbraw/zinc/98/75/20/952987520.db2.gz SVOMLDIZXIQERW-CQSZACIVSA-N -1 1 382.403 1.537 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)c1ccc(F)cc1)c1nccnc1-c1nn[n-]n1 ZINC001571197156 952987524 /nfs/dbraw/zinc/98/75/24/952987524.db2.gz SVOMLDIZXIQERW-CQSZACIVSA-N -1 1 382.403 1.537 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](N(CC)C(=O)c3ccco3)C2)n1 ZINC001571199416 952999423 /nfs/dbraw/zinc/99/94/23/952999423.db2.gz QEPJTDMCBRZPBJ-GFCCVEGCSA-N -1 1 382.428 1.553 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](N(CC)C(=O)c3ccco3)C2)n1 ZINC001571199416 952999430 /nfs/dbraw/zinc/99/94/30/952999430.db2.gz QEPJTDMCBRZPBJ-GFCCVEGCSA-N -1 1 382.428 1.553 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)[C@@H]2C)oc1C ZINC001571200449 953008510 /nfs/dbraw/zinc/00/85/10/953008510.db2.gz CHPQCBGPWFKRCU-DGCLKSJQSA-N -1 1 382.428 1.654 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)[C@@H]2C)oc1C ZINC001571200449 953008514 /nfs/dbraw/zinc/00/85/14/953008514.db2.gz CHPQCBGPWFKRCU-DGCLKSJQSA-N -1 1 382.428 1.654 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)oc1C ZINC001571200545 953009828 /nfs/dbraw/zinc/00/98/28/953009828.db2.gz DIMWOCYDUMPBHD-CYBMUJFWSA-N -1 1 382.428 1.253 20 0 GDADMM CC1(C)CC[C@H](CNC(=O)c2ccoc2)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571200820 953012274 /nfs/dbraw/zinc/01/22/74/953012274.db2.gz MCYWRYORPYJYEC-CYBMUJFWSA-N -1 1 382.428 1.675 20 0 GDADMM CC1(C)CC[C@H](CNC(=O)c2ccoc2)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571200820 953012277 /nfs/dbraw/zinc/01/22/77/953012277.db2.gz MCYWRYORPYJYEC-CYBMUJFWSA-N -1 1 382.428 1.675 20 0 GDADMM Cc1ccc(C(=O)N2CCCCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)o1 ZINC001571201056 953014186 /nfs/dbraw/zinc/01/41/86/953014186.db2.gz IZIANDBVUQIIAG-ZDUSSCGKSA-N -1 1 382.428 1.477 20 0 GDADMM CCCc1occc1C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571201569 953018494 /nfs/dbraw/zinc/01/84/94/953018494.db2.gz RQQTZCFMSPXDJV-HAQNSBGRSA-N -1 1 382.428 1.823 20 0 GDADMM CCCc1occc1C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571201569 953018501 /nfs/dbraw/zinc/01/85/01/953018501.db2.gz RQQTZCFMSPXDJV-HAQNSBGRSA-N -1 1 382.428 1.823 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)[C@H]2C)c(C)o1 ZINC001571202192 953023226 /nfs/dbraw/zinc/02/32/26/953023226.db2.gz RODXUOOTIJMKJT-SMDDNHRTSA-N -1 1 382.428 1.654 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)[C@H]2C)c(C)o1 ZINC001571202192 953023228 /nfs/dbraw/zinc/02/32/28/953023228.db2.gz RODXUOOTIJMKJT-SMDDNHRTSA-N -1 1 382.428 1.654 20 0 GDADMM CC(C)(C)c1cc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)[nH]n1 ZINC001571204676 953032242 /nfs/dbraw/zinc/03/22/42/953032242.db2.gz BRIAHKJDDYETED-SNVBAGLBSA-N -1 1 382.432 1.004 20 0 GDADMM CC(C)(C)c1cc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)[nH]n1 ZINC001571204676 953032245 /nfs/dbraw/zinc/03/22/45/953032245.db2.gz BRIAHKJDDYETED-SNVBAGLBSA-N -1 1 382.432 1.004 20 0 GDADMM CCc1nc[nH]c1C(=O)N[C@H]1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571205199 953037008 /nfs/dbraw/zinc/03/70/08/953037008.db2.gz HICVQOVPLCBJHW-XYPYZODXSA-N -1 1 382.432 1.095 20 0 GDADMM CCc1nc[nH]c1C(=O)N[C@H]1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571205199 953037012 /nfs/dbraw/zinc/03/70/12/953037012.db2.gz HICVQOVPLCBJHW-XYPYZODXSA-N -1 1 382.432 1.095 20 0 GDADMM Cc1ncc(C(=O)N[C@@H]2CC[C@@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)CC2)[nH]1 ZINC001571207469 953063260 /nfs/dbraw/zinc/06/32/60/953063260.db2.gz SEPXWPJKACOXGE-HAQNSBGRSA-N -1 1 382.432 1.150 20 0 GDADMM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1sccc1C1CC1 ZINC001571209867 953068504 /nfs/dbraw/zinc/06/85/04/953068504.db2.gz HIECYPRBDDZQBF-LLVKDONJSA-N -1 1 382.453 1.604 20 0 GDADMM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1sccc1C1CC1 ZINC001571209867 953068507 /nfs/dbraw/zinc/06/85/07/953068507.db2.gz HIECYPRBDDZQBF-LLVKDONJSA-N -1 1 382.453 1.604 20 0 GDADMM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1sccc1C1CC1 ZINC001571209868 953068981 /nfs/dbraw/zinc/06/89/81/953068981.db2.gz HIECYPRBDDZQBF-NSHDSACASA-N -1 1 382.453 1.604 20 0 GDADMM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1sccc1C1CC1 ZINC001571209868 953068983 /nfs/dbraw/zinc/06/89/83/953068983.db2.gz HIECYPRBDDZQBF-NSHDSACASA-N -1 1 382.453 1.604 20 0 GDADMM O=C(N[C@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2)c1ccsc1 ZINC001571210427 953072249 /nfs/dbraw/zinc/07/22/49/953072249.db2.gz RNNFYWLKOUPRKK-DYVFJYSZSA-N -1 1 382.453 1.650 20 0 GDADMM O=C(N[C@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2)c1ccsc1 ZINC001571210427 953072253 /nfs/dbraw/zinc/07/22/53/953072253.db2.gz RNNFYWLKOUPRKK-DYVFJYSZSA-N -1 1 382.453 1.650 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)c1ccsc1 ZINC001571210689 953074281 /nfs/dbraw/zinc/07/42/81/953074281.db2.gz VQKLDFWIGYPEID-WUWHUORYSA-N -1 1 382.453 1.073 20 0 GDADMM CN(C[C@H]1CCCN(C(=O)[C@@H]2CC23CCC3)C1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571211541 953077139 /nfs/dbraw/zinc/07/71/39/953077139.db2.gz BBWBBDXLKNOTBB-KGLIPLIRSA-N -1 1 382.472 1.522 20 0 GDADMM CN(C[C@H]1CCCN(C(=O)[C@@H]2CC23CCC3)C1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571211541 953077142 /nfs/dbraw/zinc/07/71/42/953077142.db2.gz BBWBBDXLKNOTBB-KGLIPLIRSA-N -1 1 382.472 1.522 20 0 GDADMM CN(c1nccnc1-c1nnn[n-]1)C1CCN(C(=O)[C@H]2CCCC23CC3)CC1 ZINC001571211557 953078890 /nfs/dbraw/zinc/07/88/90/953078890.db2.gz BMCIMLIDJLTQHQ-CQSZACIVSA-N -1 1 382.472 1.664 20 0 GDADMM CN(c1nccnc1-c1nn[n-]n1)C1CCN(C(=O)[C@H]2CCCC23CC3)CC1 ZINC001571211557 953078893 /nfs/dbraw/zinc/07/88/93/953078893.db2.gz BMCIMLIDJLTQHQ-CQSZACIVSA-N -1 1 382.472 1.664 20 0 GDADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H]1CCN(C(=O)C23CCC(CC2)C3)C1 ZINC001571212052 953084167 /nfs/dbraw/zinc/08/41/67/953084167.db2.gz HXUIJSHGVSHAQJ-GWMLXNDSSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)C23CCC(CC2)C3)C1 ZINC001571212052 953084171 /nfs/dbraw/zinc/08/41/71/953084171.db2.gz HXUIJSHGVSHAQJ-GWMLXNDSSA-N -1 1 382.472 1.886 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC3(C[C@H]3NC(=O)C3CC(C)C3)CC2)n1 ZINC001571212478 953089132 /nfs/dbraw/zinc/08/91/32/953089132.db2.gz MJLSOVRFSRDEHP-ABIUDSBCSA-N -1 1 382.472 1.486 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC3(C[C@H]3NC(=O)C3CC(C)C3)CC2)n1 ZINC001571212478 953089137 /nfs/dbraw/zinc/08/91/37/953089137.db2.gz MJLSOVRFSRDEHP-ABIUDSBCSA-N -1 1 382.472 1.486 20 0 GDADMM C[C@H](Nc1nccnc1-c1nnn[n-]1)[C@@H]1CCCN(C(=O)C2CC3(CC3)C2)C1 ZINC001571212998 953092234 /nfs/dbraw/zinc/09/22/34/953092234.db2.gz PIFDPBKTQHYDPX-QWHCGFSZSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)[C@@H]1CCCN(C(=O)C2CC3(CC3)C2)C1 ZINC001571212998 953092237 /nfs/dbraw/zinc/09/22/37/953092237.db2.gz PIFDPBKTQHYDPX-QWHCGFSZSA-N -1 1 382.472 1.886 20 0 GDADMM CN(C(=O)[C@@H]1CC12CCCC2)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571213323 953094242 /nfs/dbraw/zinc/09/42/42/953094242.db2.gz RJMVVRXMNMTDQP-AWEZNQCLSA-N -1 1 382.472 1.664 20 0 GDADMM CN(C(=O)[C@@H]1CC12CCCC2)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571213323 953094247 /nfs/dbraw/zinc/09/42/47/953094247.db2.gz RJMVVRXMNMTDQP-AWEZNQCLSA-N -1 1 382.472 1.664 20 0 GDADMM CN(c1nccnc1-c1nnn[n-]1)[C@H]1CCN(C(=O)C2(C3CCC3)CCC2)C1 ZINC001571214412 953101446 /nfs/dbraw/zinc/10/14/46/953101446.db2.gz YLPUACVGEFIHMY-AWEZNQCLSA-N -1 1 382.472 1.664 20 0 GDADMM CN(c1nccnc1-c1nn[n-]n1)[C@H]1CCN(C(=O)C2(C3CCC3)CCC2)C1 ZINC001571214412 953101448 /nfs/dbraw/zinc/10/14/48/953101448.db2.gz YLPUACVGEFIHMY-AWEZNQCLSA-N -1 1 382.472 1.664 20 0 GDADMM C[C@H]1CN(C(=O)C2CC3(CCC3)C2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571214493 953102642 /nfs/dbraw/zinc/10/26/42/953102642.db2.gz ZYLJSNWQXIKIPK-GXTWGEPZSA-N -1 1 382.472 1.165 20 0 GDADMM O=C([C@H]1[C@@H]2CCCCCC[C@@H]21)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571216753 953103604 /nfs/dbraw/zinc/10/36/04/953103604.db2.gz AGCJHTJLSHJSTL-HALDLXJZSA-N -1 1 382.472 1.522 20 0 GDADMM O=C([C@H]1[C@@H]2CCCCCC[C@@H]21)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571216753 953103606 /nfs/dbraw/zinc/10/36/06/953103606.db2.gz AGCJHTJLSHJSTL-HALDLXJZSA-N -1 1 382.472 1.522 20 0 GDADMM O=C(CC1CCCC1)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001571216884 953104474 /nfs/dbraw/zinc/10/44/74/953104474.db2.gz BMWFOGBSRJJPGN-ZNMIVQPWSA-N -1 1 382.472 1.711 20 0 GDADMM O=C(CC1CCCC1)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001571216884 953104478 /nfs/dbraw/zinc/10/44/78/953104478.db2.gz BMWFOGBSRJJPGN-ZNMIVQPWSA-N -1 1 382.472 1.711 20 0 GDADMM O=C(N[C@H]1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C(C1CC1)C1CC1 ZINC001571218067 953113006 /nfs/dbraw/zinc/11/30/06/953113006.db2.gz LBBZHXMNZPCDPI-KGLIPLIRSA-N -1 1 382.472 1.932 20 0 GDADMM O=C(N[C@H]1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C(C1CC1)C1CC1 ZINC001571218067 953113009 /nfs/dbraw/zinc/11/30/09/953113009.db2.gz LBBZHXMNZPCDPI-KGLIPLIRSA-N -1 1 382.472 1.932 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccncc2F)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571219985 953128208 /nfs/dbraw/zinc/12/82/08/953128208.db2.gz WHGPSLUROQRNOU-GHMZBOCLSA-N -1 1 383.391 1.011 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccncc2F)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571219985 953128211 /nfs/dbraw/zinc/12/82/11/953128211.db2.gz WHGPSLUROQRNOU-GHMZBOCLSA-N -1 1 383.391 1.011 20 0 GDADMM CCc1oncc1C(=O)N[C@H]1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571222315 953133380 /nfs/dbraw/zinc/13/33/80/953133380.db2.gz DPSXVSIMLNCNAS-MNOVXSKESA-N -1 1 383.416 1.360 20 0 GDADMM CCc1oncc1C(=O)N[C@H]1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571222315 953133382 /nfs/dbraw/zinc/13/33/82/953133382.db2.gz DPSXVSIMLNCNAS-MNOVXSKESA-N -1 1 383.416 1.360 20 0 GDADMM CC[C@@H]1CN(C(=O)c2cc(C)no2)CC[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571222390 953134330 /nfs/dbraw/zinc/13/43/30/953134330.db2.gz HPARBTQBOSRBFM-NEPJUHHUSA-N -1 1 383.416 1.306 20 0 GDADMM CC[C@@H]1CN(C(=O)c2cc(C)no2)CC[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571222390 953134331 /nfs/dbraw/zinc/13/43/31/953134331.db2.gz HPARBTQBOSRBFM-NEPJUHHUSA-N -1 1 383.416 1.306 20 0 GDADMM Cc1ncoc1C(=O)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001571225336 953152603 /nfs/dbraw/zinc/15/26/03/953152603.db2.gz JUKLUNIMIFFSDE-JQWIXIFHSA-N -1 1 383.416 1.163 20 0 GDADMM Cc1ncoc1C(=O)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001571225336 953152607 /nfs/dbraw/zinc/15/26/07/953152607.db2.gz JUKLUNIMIFFSDE-JQWIXIFHSA-N -1 1 383.416 1.163 20 0 GDADMM Cc1nc(C(=O)N2CCC[C@H](CCNc3cnc(-c4nnn[n-]4)cn3)C2)co1 ZINC001571225581 953152813 /nfs/dbraw/zinc/15/28/13/953152813.db2.gz KFXSMJVNFWRKAA-GFCCVEGCSA-N -1 1 383.416 1.308 20 0 GDADMM Cc1nc(C(=O)N2CCC[C@H](CCNc3cnc(-c4nn[n-]n4)cn3)C2)co1 ZINC001571225581 953152814 /nfs/dbraw/zinc/15/28/14/953152814.db2.gz KFXSMJVNFWRKAA-GFCCVEGCSA-N -1 1 383.416 1.308 20 0 GDADMM Cc1nc(C(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C[C@@H]2C)c(C)o1 ZINC001571226691 953156993 /nfs/dbraw/zinc/15/69/93/953156993.db2.gz WCEHGOLJKFQDPE-CABZTGNLSA-N -1 1 383.416 1.367 20 0 GDADMM Cc1nc(C(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C[C@@H]2C)c(C)o1 ZINC001571226691 953156996 /nfs/dbraw/zinc/15/69/96/953156996.db2.gz WCEHGOLJKFQDPE-CABZTGNLSA-N -1 1 383.416 1.367 20 0 GDADMM Cc1nc(C(=O)N[C@H]2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)CC2)c(C)o1 ZINC001571226694 953157035 /nfs/dbraw/zinc/15/70/35/953157035.db2.gz WDVINECEMRFUEU-HAQNSBGRSA-N -1 1 383.416 1.415 20 0 GDADMM Cc1nc(C(=O)N[C@H]2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)CC2)c(C)o1 ZINC001571226694 953157039 /nfs/dbraw/zinc/15/70/39/953157039.db2.gz WDVINECEMRFUEU-HAQNSBGRSA-N -1 1 383.416 1.415 20 0 GDADMM Cc1nsc(N2CCC[C@@H](NC(=O)[C@@H]3CCC3(F)F)C2)c1-c1nn[n-]n1 ZINC001571229385 953169312 /nfs/dbraw/zinc/16/93/12/953169312.db2.gz DFZYDPXZFXUVKY-ZJUUUORDSA-N -1 1 383.428 1.762 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CC[C@@H]1[C@@H]1CCCOC1 ZINC001571234548 953202991 /nfs/dbraw/zinc/20/29/91/953202991.db2.gz BJIQCPBQBWCFFD-ZYHUDNBSSA-N -1 1 383.861 1.710 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CC[C@@H]1[C@@H]1CCCOC1 ZINC001571234548 953202994 /nfs/dbraw/zinc/20/29/94/953202994.db2.gz BJIQCPBQBWCFFD-ZYHUDNBSSA-N -1 1 383.861 1.710 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)C(C)(C)C(F)(F)F)C2)n1 ZINC001571234622 953203676 /nfs/dbraw/zinc/20/36/76/953203676.db2.gz DITWBXPWULWNHG-SECBINFHSA-N -1 1 384.366 1.566 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)C(C)(C)C(F)(F)F)C2)n1 ZINC001571234622 953203677 /nfs/dbraw/zinc/20/36/77/953203677.db2.gz DITWBXPWULWNHG-SECBINFHSA-N -1 1 384.366 1.566 20 0 GDADMM O=C(C[C@H]1CCCO1)N[C@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571234854 953205995 /nfs/dbraw/zinc/20/59/95/953205995.db2.gz KRYLZWOJYFUWNW-DTWKUNHWSA-N -1 1 383.865 1.241 20 0 GDADMM O=C(C[C@H]1CCCO1)N[C@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571234854 953205997 /nfs/dbraw/zinc/20/59/97/953205997.db2.gz KRYLZWOJYFUWNW-DTWKUNHWSA-N -1 1 383.865 1.241 20 0 GDADMM O=C(C[C@@H]1CCOC1)N[C@H]1C[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571235324 953211547 /nfs/dbraw/zinc/21/15/47/953211547.db2.gz ZXPDTBBBHZKMEB-XHNCKOQMSA-N -1 1 383.865 1.462 20 0 GDADMM COc1ccccc1O[C@@H](C)CNC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001571235580 953213503 /nfs/dbraw/zinc/21/35/03/953213503.db2.gz JLXYDPXYUPLEGR-NSHDSACASA-N -1 1 384.396 1.482 20 0 GDADMM CS(=O)(=O)c1cccc2c1N(C(=O)c1cccc(-c3nnn[n-]3)n1)CCC2 ZINC001571242162 953253528 /nfs/dbraw/zinc/25/35/28/953253528.db2.gz WBTJOVUADODQGT-UHFFFAOYSA-N -1 1 384.421 1.258 20 0 GDADMM CS(=O)(=O)c1cccc2c1N(C(=O)c1cccc(-c3nn[n-]n3)n1)CCC2 ZINC001571242162 953253533 /nfs/dbraw/zinc/25/35/33/953253533.db2.gz WBTJOVUADODQGT-UHFFFAOYSA-N -1 1 384.421 1.258 20 0 GDADMM C[C@H]1CN(C(=O)C2=COCCC2)CC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571242839 953260186 /nfs/dbraw/zinc/26/01/86/953260186.db2.gz PEGZSRNFACWASR-QWHCGFSZSA-N -1 1 384.444 1.248 20 0 GDADMM C[C@H]1CN(C(=O)C2=COCCC2)CC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571242839 953260187 /nfs/dbraw/zinc/26/01/87/953260187.db2.gz PEGZSRNFACWASR-QWHCGFSZSA-N -1 1 384.444 1.248 20 0 GDADMM CCc1ccsc1C(=O)N1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001571245089 953270019 /nfs/dbraw/zinc/27/00/19/953270019.db2.gz NMVODGRBGJKIHG-ZYHUDNBSSA-N -1 1 384.469 1.996 20 0 GDADMM CCc1ccsc1C(=O)N1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001571245089 953270022 /nfs/dbraw/zinc/27/00/22/953270022.db2.gz NMVODGRBGJKIHG-ZYHUDNBSSA-N -1 1 384.469 1.996 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001571245167 953270796 /nfs/dbraw/zinc/27/07/96/953270796.db2.gz FANKBCHKXYPMGZ-NEPJUHHUSA-N -1 1 384.469 1.607 20 0 GDADMM Cc1csc(C(=O)NC[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571245205 953271751 /nfs/dbraw/zinc/27/17/51/953271751.db2.gz PEFNFTCUNPFBHV-LBPRGKRZSA-N -1 1 384.469 1.673 20 0 GDADMM Cc1csc(C(=O)NC[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571245205 953271754 /nfs/dbraw/zinc/27/17/54/953271754.db2.gz PEFNFTCUNPFBHV-LBPRGKRZSA-N -1 1 384.469 1.673 20 0 GDADMM Cc1ccsc1C(=O)N1CC[C@H](CN(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571245581 953274667 /nfs/dbraw/zinc/27/46/67/953274667.db2.gz VZRZFWKSUJFMDS-GFCCVEGCSA-N -1 1 384.469 1.625 20 0 GDADMM CCc1ccc(C(=O)N2C[C@H](C)[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)s1 ZINC001571245556 953274703 /nfs/dbraw/zinc/27/47/03/953274703.db2.gz VHRPHFQBIHPFEV-GXFFZTMASA-N -1 1 384.469 1.853 20 0 GDADMM CCc1ccc(C(=O)N2C[C@H](C)[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)s1 ZINC001571245556 953274707 /nfs/dbraw/zinc/27/47/07/953274707.db2.gz VHRPHFQBIHPFEV-GXFFZTMASA-N -1 1 384.469 1.853 20 0 GDADMM CCc1ccc(C(=O)N(C)[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)s1 ZINC001571245566 953274769 /nfs/dbraw/zinc/27/47/69/953274769.db2.gz VOWNZXPKFJFVSQ-LLVKDONJSA-N -1 1 384.469 1.632 20 0 GDADMM CCc1ccc(C(=O)N(C)[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)s1 ZINC001571245566 953274772 /nfs/dbraw/zinc/27/47/72/953274772.db2.gz VOWNZXPKFJFVSQ-LLVKDONJSA-N -1 1 384.469 1.632 20 0 GDADMM C[C@H]1[C@@H](NC(=O)Cc2cccs2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571246100 953279865 /nfs/dbraw/zinc/27/98/65/953279865.db2.gz SPISJBMOORBKBR-AAEUAGOBSA-N -1 1 384.469 1.434 20 0 GDADMM C[C@H]1[C@@H](NC(=O)Cc2cccs2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571246100 953279869 /nfs/dbraw/zinc/27/98/69/953279869.db2.gz SPISJBMOORBKBR-AAEUAGOBSA-N -1 1 384.469 1.434 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccsc1 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GDADMM O=S(=O)(CCCS(=O)(=O)N1C[C@@H]2CCCC[C@@H]21)[N-]c1ccc(F)cn1 ZINC000349452865 532287471 /nfs/dbraw/zinc/28/74/71/532287471.db2.gz OLHJWUQFVMOZOY-JSGCOSHPSA-N -1 1 391.490 1.557 20 0 GDADMM CCn1cc(S(=O)(=O)Nc2ccccc2NS(C)(=O)=O)cc1C(=O)[O-] ZINC000392717216 532299903 /nfs/dbraw/zinc/29/99/03/532299903.db2.gz OHXUVJQWCHXNHS-UHFFFAOYSA-N -1 1 387.439 1.379 20 0 GDADMM O=C(CN1CCC[C@@H](c2nc(=O)[n-][nH]2)C1)Nc1ccccc1Br ZINC000289383651 532322958 /nfs/dbraw/zinc/32/29/58/532322958.db2.gz JJOSZFNIQUCSLU-SNVBAGLBSA-N -1 1 380.246 1.679 20 0 GDADMM O=C(OCCF)C1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000738219276 598824448 /nfs/dbraw/zinc/82/44/48/598824448.db2.gz AKNFGYWXSHYKFH-UHFFFAOYSA-N -1 1 376.348 1.844 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)CS(C)(=O)=O)c1-c1nn[n-]n1 ZINC000737189175 598828039 /nfs/dbraw/zinc/82/80/39/598828039.db2.gz KXCAJGQSVDZIBG-QMMMGPOBSA-N -1 1 396.498 1.024 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000738354143 598874421 /nfs/dbraw/zinc/87/44/21/598874421.db2.gz HQTZBLUJIQNZAI-RYUDHWBXSA-N -1 1 383.861 1.852 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000738354143 598874423 /nfs/dbraw/zinc/87/44/23/598874423.db2.gz HQTZBLUJIQNZAI-RYUDHWBXSA-N -1 1 383.861 1.852 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCC2(CC1)OCCO2 ZINC000738354803 598874432 /nfs/dbraw/zinc/87/44/32/598874432.db2.gz KKPZVVZXQMJHRP-UHFFFAOYSA-N -1 1 385.833 1.048 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCC2(CC1)OCCO2 ZINC000738354803 598874433 /nfs/dbraw/zinc/87/44/33/598874433.db2.gz KKPZVVZXQMJHRP-UHFFFAOYSA-N -1 1 385.833 1.048 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@@](C)(O)c1ccccc1 ZINC000737201804 598922276 /nfs/dbraw/zinc/92/22/76/598922276.db2.gz WLFNJCHPMGOTOH-HXUWFJFHSA-N -1 1 396.451 1.541 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC[C@@](C)(O)c2ccccc2)cc1-c1nn[n-]n1 ZINC000737187292 598922403 /nfs/dbraw/zinc/92/24/03/598922403.db2.gz POHCNXAXOQDHIC-QGZVFWFLSA-N -1 1 386.437 1.327 20 0 GDADMM CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)c1C ZINC000736881435 598946786 /nfs/dbraw/zinc/94/67/86/598946786.db2.gz HEUJWDLUCXBOPL-UHFFFAOYSA-N -1 1 386.437 1.644 20 0 GDADMM CCN1CCN(C2CCN(c3c4ccccc4nnc3-c3nnn[n-]3)CC2)C1=O ZINC000736570030 598966440 /nfs/dbraw/zinc/96/64/40/598966440.db2.gz MYBNNEKVAYXWLM-UHFFFAOYSA-N -1 1 393.455 1.536 20 0 GDADMM CCN1CCN(C2CCN(c3c4ccccc4nnc3-c3nn[n-]n3)CC2)C1=O ZINC000736570030 598966442 /nfs/dbraw/zinc/96/64/42/598966442.db2.gz MYBNNEKVAYXWLM-UHFFFAOYSA-N -1 1 393.455 1.536 20 0 GDADMM CCCCNC(=O)[C@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000736457320 598963294 /nfs/dbraw/zinc/96/32/94/598963294.db2.gz MYOSBWQHMXEGGI-ZDUSSCGKSA-N -1 1 380.456 1.943 20 0 GDADMM CCCCNC(=O)[C@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000736457320 598963296 /nfs/dbraw/zinc/96/32/96/598963296.db2.gz MYOSBWQHMXEGGI-ZDUSSCGKSA-N -1 1 380.456 1.943 20 0 GDADMM COc1cc(OC)cc([C@@H](O)CNc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000737050777 598970805 /nfs/dbraw/zinc/97/08/05/598970805.db2.gz FBVQLISATSGHQG-INIZCTEOSA-N -1 1 393.407 1.973 20 0 GDADMM COc1cc(OC)cc([C@@H](O)CNc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000737050777 598970807 /nfs/dbraw/zinc/97/08/07/598970807.db2.gz FBVQLISATSGHQG-INIZCTEOSA-N -1 1 393.407 1.973 20 0 GDADMM CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736470463 598981553 /nfs/dbraw/zinc/98/15/53/598981553.db2.gz PYEVRNXXLCEUOR-UHFFFAOYSA-N -1 1 395.423 1.761 20 0 GDADMM CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736470463 598981556 /nfs/dbraw/zinc/98/15/56/598981556.db2.gz PYEVRNXXLCEUOR-UHFFFAOYSA-N -1 1 395.423 1.761 20 0 GDADMM O=C(COc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1)N1CCCC1 ZINC000738187875 598992114 /nfs/dbraw/zinc/99/21/14/598992114.db2.gz ZEUFJKOJVPMCCY-UHFFFAOYSA-N -1 1 393.407 1.515 20 0 GDADMM O=C(COc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1)N1CCCC1 ZINC000738187875 598992116 /nfs/dbraw/zinc/99/21/16/598992116.db2.gz ZEUFJKOJVPMCCY-UHFFFAOYSA-N -1 1 393.407 1.515 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000735628145 598999440 /nfs/dbraw/zinc/99/94/40/598999440.db2.gz RPANSGLZHYWPLD-GFCCVEGCSA-N -1 1 387.444 1.639 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000735628145 598999441 /nfs/dbraw/zinc/99/94/41/598999441.db2.gz RPANSGLZHYWPLD-GFCCVEGCSA-N -1 1 387.444 1.639 20 0 GDADMM Cc1ccc(CC(=O)N2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)cc1 ZINC000737331182 599000180 /nfs/dbraw/zinc/00/01/80/599000180.db2.gz WAAKYUHFJDWKAM-UHFFFAOYSA-N -1 1 391.435 1.097 20 0 GDADMM Cc1ccc(CC(=O)N2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)cc1 ZINC000737331182 599000184 /nfs/dbraw/zinc/00/01/84/599000184.db2.gz WAAKYUHFJDWKAM-UHFFFAOYSA-N -1 1 391.435 1.097 20 0 GDADMM COc1ccc(Cl)cc1N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000737098864 599002305 /nfs/dbraw/zinc/00/23/05/599002305.db2.gz GSDSCYGHARYCIT-ZDUSSCGKSA-N -1 1 399.842 1.932 20 0 GDADMM COc1ccc(Cl)cc1N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000737098864 599002307 /nfs/dbraw/zinc/00/23/07/599002307.db2.gz GSDSCYGHARYCIT-ZDUSSCGKSA-N -1 1 399.842 1.932 20 0 GDADMM CCO[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1(C)C ZINC000736613963 599008632 /nfs/dbraw/zinc/00/86/32/599008632.db2.gz UJZDDNJHOHBYIF-UONOGXRCSA-N -1 1 383.449 1.830 20 0 GDADMM NC(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737760646 599021165 /nfs/dbraw/zinc/02/11/65/599021165.db2.gz PRXBOOJUODZLQJ-UHFFFAOYSA-N -1 1 378.396 1.213 20 0 GDADMM NC(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737760646 599021166 /nfs/dbraw/zinc/02/11/66/599021166.db2.gz PRXBOOJUODZLQJ-UHFFFAOYSA-N -1 1 378.396 1.213 20 0 GDADMM CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735636056 599024665 /nfs/dbraw/zinc/02/46/65/599024665.db2.gz NKTXCJJFTZZAHL-ZDUSSCGKSA-N -1 1 387.444 1.781 20 0 GDADMM CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735636056 599024668 /nfs/dbraw/zinc/02/46/68/599024668.db2.gz NKTXCJJFTZZAHL-ZDUSSCGKSA-N -1 1 387.444 1.781 20 0 GDADMM COc1cccc([C@@H](C)N2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)c1 ZINC000737122722 599029417 /nfs/dbraw/zinc/02/94/17/599029417.db2.gz WGRIUIJBXGXFJX-CQSZACIVSA-N -1 1 393.451 1.789 20 0 GDADMM CCN1C(=S)N=NC1[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736714080 599029658 /nfs/dbraw/zinc/02/96/58/599029658.db2.gz NOESRSWSWATCRK-LLVKDONJSA-N -1 1 385.457 1.182 20 0 GDADMM CCN1C(=S)N=NC1[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736714080 599029660 /nfs/dbraw/zinc/02/96/60/599029660.db2.gz NOESRSWSWATCRK-LLVKDONJSA-N -1 1 385.457 1.182 20 0 GDADMM CC(C)[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccccc1Cl ZINC000735735370 599058737 /nfs/dbraw/zinc/05/87/37/599058737.db2.gz SVXNGBDVPICGCH-CYBMUJFWSA-N -1 1 389.847 1.727 20 0 GDADMM CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000821170496 599061971 /nfs/dbraw/zinc/06/19/71/599061971.db2.gz RLEZTFBDFVCYHG-LLVKDONJSA-N -1 1 383.378 1.889 20 0 GDADMM CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000821170496 599061974 /nfs/dbraw/zinc/06/19/74/599061974.db2.gz RLEZTFBDFVCYHG-LLVKDONJSA-N -1 1 383.378 1.889 20 0 GDADMM Cc1ccc([C@H]2CCC[C@H]2N(C)c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1 ZINC000822233861 599069952 /nfs/dbraw/zinc/06/99/52/599069952.db2.gz WONQHMXLICZCLL-HUUCEWRRSA-N -1 1 395.467 1.345 20 0 GDADMM CC[C@H]1COCCN1CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000736404829 599082044 /nfs/dbraw/zinc/08/20/44/599082044.db2.gz BWXNIDVISLRLCF-ZDUSSCGKSA-N -1 1 382.428 1.102 20 0 GDADMM CC[C@H]1COCCN1CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736404829 599082046 /nfs/dbraw/zinc/08/20/46/599082046.db2.gz BWXNIDVISLRLCF-ZDUSSCGKSA-N -1 1 382.428 1.102 20 0 GDADMM Cc1nn(C)c(Oc2cccnc2)c1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737509621 599110077 /nfs/dbraw/zinc/11/00/77/599110077.db2.gz CKVOCLWYTLIOCD-UHFFFAOYSA-N -1 1 377.368 1.743 20 0 GDADMM Cc1nn(C)c(Oc2cccnc2)c1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737509621 599110078 /nfs/dbraw/zinc/11/00/78/599110078.db2.gz CKVOCLWYTLIOCD-UHFFFAOYSA-N -1 1 377.368 1.743 20 0 GDADMM CCCCOC(=O)[C@H](C)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000736461069 599130387 /nfs/dbraw/zinc/13/03/87/599130387.db2.gz NUYHOGZGNZDFLO-LBPRGKRZSA-N -1 1 389.460 1.586 20 0 GDADMM COc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)c(OC)c1 ZINC000737100942 599132111 /nfs/dbraw/zinc/13/21/11/599132111.db2.gz AOZNBOYNTJHLRS-JTQLQIEISA-N -1 1 398.379 1.463 20 0 GDADMM COc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)c(OC)c1 ZINC000737100942 599132113 /nfs/dbraw/zinc/13/21/13/599132113.db2.gz AOZNBOYNTJHLRS-JTQLQIEISA-N -1 1 398.379 1.463 20 0 GDADMM CC(=O)Nc1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000735489060 599133785 /nfs/dbraw/zinc/13/37/85/599133785.db2.gz TVMHOTNVWLQDIV-SNVBAGLBSA-N -1 1 395.379 1.404 20 0 GDADMM CC(=O)Nc1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000735489060 599133788 /nfs/dbraw/zinc/13/37/88/599133788.db2.gz TVMHOTNVWLQDIV-SNVBAGLBSA-N -1 1 395.379 1.404 20 0 GDADMM CC(C)C(=O)Nc1ccc(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735684050 599142267 /nfs/dbraw/zinc/14/22/67/599142267.db2.gz AHKLBKZGFOQCRX-UHFFFAOYSA-N -1 1 394.391 1.896 20 0 GDADMM CC(C)C(=O)Nc1ccc(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735684050 599142268 /nfs/dbraw/zinc/14/22/68/599142268.db2.gz AHKLBKZGFOQCRX-UHFFFAOYSA-N -1 1 394.391 1.896 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)O[C@H]1Cc2ccccc2C1=O ZINC000822010334 607261486 /nfs/dbraw/zinc/26/14/86/607261486.db2.gz YLPURKDQRDMGGI-HNNXBMFYSA-N -1 1 393.403 1.868 20 0 GDADMM Cc1noc(CCC(=O)OCc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)n1 ZINC000822528132 607261611 /nfs/dbraw/zinc/26/16/11/607261611.db2.gz UGDOFFLRKODZSQ-UHFFFAOYSA-N -1 1 394.395 1.728 20 0 GDADMM COc1ccc2c(c1)N(S(=O)(=O)c1ccc(-c3nnn[n-]3)nc1)C[C@H](C)O2 ZINC000737119873 599236468 /nfs/dbraw/zinc/23/64/68/599236468.db2.gz VEBZOHFTPWZMQS-JTQLQIEISA-N -1 1 388.409 1.247 20 0 GDADMM COc1ccc2c(c1)N(S(=O)(=O)c1ccc(-c3nn[n-]n3)nc1)C[C@H](C)O2 ZINC000737119873 599236471 /nfs/dbraw/zinc/23/64/71/599236471.db2.gz VEBZOHFTPWZMQS-JTQLQIEISA-N -1 1 388.409 1.247 20 0 GDADMM CCN1CCN(c2ccc(CNC(=O)N3CCC[C@H](CC(=O)[O-])C3)cn2)CC1 ZINC000818208176 597057163 /nfs/dbraw/zinc/05/71/63/597057163.db2.gz XVMREKWIAZGMQP-MRXNPFEDSA-N -1 1 389.500 1.620 20 0 GDADMM O=C([O-])C1(NC(=O)CCn2c(=O)c3ccccc3[nH]c2=S)CCCCC1 ZINC000821383525 597342716 /nfs/dbraw/zinc/34/27/16/597342716.db2.gz QWUQGMODXAHDNR-UHFFFAOYSA-N -1 1 375.450 1.979 20 0 GDADMM CCOC(=O)c1sc(NC(=O)CN2CCc3cn[nH]c3C2)c(C(=O)[O-])c1C ZINC000820373763 597370850 /nfs/dbraw/zinc/37/08/50/597370850.db2.gz GTJYSMGDIHDOPA-UHFFFAOYSA-N -1 1 392.437 1.651 20 0 GDADMM Cn1ccnc1[C@@H](O)[C@@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000822694111 607305860 /nfs/dbraw/zinc/30/58/60/607305860.db2.gz VVDMCIMYECUJJF-PXAZEXFGSA-N -1 1 391.439 1.493 20 0 GDADMM Cn1ccnc1[C@@H](O)[C@@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000822694111 607305861 /nfs/dbraw/zinc/30/58/61/607305861.db2.gz VVDMCIMYECUJJF-PXAZEXFGSA-N -1 1 391.439 1.493 20 0 GDADMM CCc1cc2c(C[N@H+](CCNC(C)=O)[C@@H](C)C(=O)[O-])cc(=O)oc2cc1[O-] ZINC000820479913 597681025 /nfs/dbraw/zinc/68/10/25/597681025.db2.gz HFEYBCGIKNSZMT-NSHDSACASA-N -1 1 376.409 1.472 20 0 GDADMM CCc1cc2c(C[N@@H+](CCNC(C)=O)[C@@H](C)C(=O)[O-])cc(=O)oc2cc1[O-] ZINC000820479913 597681029 /nfs/dbraw/zinc/68/10/29/597681029.db2.gz HFEYBCGIKNSZMT-NSHDSACASA-N -1 1 376.409 1.472 20 0 GDADMM O=C(OCCNc1ccc(C(F)(F)F)cn1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823405456 607319826 /nfs/dbraw/zinc/31/98/26/607319826.db2.gz QPPXWKBMEOIMPZ-UHFFFAOYSA-N -1 1 379.302 1.944 20 0 GDADMM O=C(OCCNc1ccc(C(F)(F)F)cn1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823405456 607319827 /nfs/dbraw/zinc/31/98/27/607319827.db2.gz QPPXWKBMEOIMPZ-UHFFFAOYSA-N -1 1 379.302 1.944 20 0 GDADMM Nc1n[nH]c(CCCNC(=O)Nc2nc3ccsc3s2)c1-c1nn[n-]n1 ZINC000737775700 599281557 /nfs/dbraw/zinc/28/15/57/599281557.db2.gz APMYGXXVRHVGNN-UHFFFAOYSA-N -1 1 390.458 1.598 20 0 GDADMM COc1ccc(OC)c([C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737109861 598261434 /nfs/dbraw/zinc/26/14/34/598261434.db2.gz VHRLEJVFGFUING-JTQLQIEISA-N -1 1 390.425 1.318 20 0 GDADMM COc1ccc(OC)c([C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737109861 598261435 /nfs/dbraw/zinc/26/14/35/598261435.db2.gz VHRLEJVFGFUING-JTQLQIEISA-N -1 1 390.425 1.318 20 0 GDADMM CN(CCCOc1ccc(F)cc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736798092 598265835 /nfs/dbraw/zinc/26/58/35/598265835.db2.gz OLMCRUOKXKJAHM-UHFFFAOYSA-N -1 1 392.416 1.490 20 0 GDADMM CN(CCCOc1ccc(F)cc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736798092 598265836 /nfs/dbraw/zinc/26/58/36/598265836.db2.gz OLMCRUOKXKJAHM-UHFFFAOYSA-N -1 1 392.416 1.490 20 0 GDADMM CC(C)COc1ccccc1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735844483 598266460 /nfs/dbraw/zinc/26/64/60/598266460.db2.gz LPDYJZUISPVWJK-UHFFFAOYSA-N -1 1 388.453 1.775 20 0 GDADMM CC(C)COc1ccccc1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735844483 598266462 /nfs/dbraw/zinc/26/64/62/598266462.db2.gz LPDYJZUISPVWJK-UHFFFAOYSA-N -1 1 388.453 1.775 20 0 GDADMM O=S(=O)(N[C@@H]1CCc2cc(Cl)ccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000738341024 598269596 /nfs/dbraw/zinc/26/95/96/598269596.db2.gz AGWNVSDOQWGGRB-CYBMUJFWSA-N -1 1 376.829 1.881 20 0 GDADMM O=S(=O)(N[C@@H]1CCc2cc(Cl)ccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000738341024 598269598 /nfs/dbraw/zinc/26/95/98/598269598.db2.gz AGWNVSDOQWGGRB-CYBMUJFWSA-N -1 1 376.829 1.881 20 0 GDADMM C[C@H](NC(=S)NCCCc1[nH]nc(N)c1-c1nnn[n-]1)c1cccs1 ZINC000736124210 598321978 /nfs/dbraw/zinc/32/19/78/598321978.db2.gz FRYWNNKCFVUHBI-QMMMGPOBSA-N -1 1 377.503 1.391 20 0 GDADMM C[C@H](NC(=S)NCCCc1[nH]nc(N)c1-c1nn[n-]n1)c1cccs1 ZINC000736124210 598321980 /nfs/dbraw/zinc/32/19/80/598321980.db2.gz FRYWNNKCFVUHBI-QMMMGPOBSA-N -1 1 377.503 1.391 20 0 GDADMM O=C(Nc1ccc(Cl)cn1)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000738162361 598346168 /nfs/dbraw/zinc/34/61/68/598346168.db2.gz BUGPTJWOOBVHFR-UHFFFAOYSA-N -1 1 385.819 1.560 20 0 GDADMM O=C(Nc1ccc(Cl)cn1)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000738162361 598346170 /nfs/dbraw/zinc/34/61/70/598346170.db2.gz BUGPTJWOOBVHFR-UHFFFAOYSA-N -1 1 385.819 1.560 20 0 GDADMM CC(C)(C)NS(=O)(=O)c1ccccc1CNc1nccnc1-c1nnn[n-]1 ZINC000735623665 598347287 /nfs/dbraw/zinc/34/72/87/598347287.db2.gz OLLGWMNFKONACP-UHFFFAOYSA-N -1 1 388.457 1.346 20 0 GDADMM CC(C)(C)NS(=O)(=O)c1ccccc1CNc1nccnc1-c1nn[n-]n1 ZINC000735623665 598347289 /nfs/dbraw/zinc/34/72/89/598347289.db2.gz OLLGWMNFKONACP-UHFFFAOYSA-N -1 1 388.457 1.346 20 0 GDADMM CCc1nn(CC(=O)Nc2ccc(OC)cc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705732 598379767 /nfs/dbraw/zinc/37/97/67/598379767.db2.gz OFUYATFMKBAMDW-UHFFFAOYSA-N -1 1 383.412 1.196 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N(CCCO)Cc2cccc(Cl)c2)n1 ZINC000822604517 607356443 /nfs/dbraw/zinc/35/64/43/607356443.db2.gz GPYZVLFVKDJORD-UHFFFAOYSA-N -1 1 390.835 1.670 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N(CCCO)Cc2cccc(Cl)c2)n1 ZINC000822604517 607356445 /nfs/dbraw/zinc/35/64/45/607356445.db2.gz GPYZVLFVKDJORD-UHFFFAOYSA-N -1 1 390.835 1.670 20 0 GDADMM O=C(c1cccc(Cl)c1)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC000738274693 598386964 /nfs/dbraw/zinc/38/69/64/598386964.db2.gz WGWOCJVJSHIQOT-UHFFFAOYSA-N -1 1 384.831 1.663 20 0 GDADMM O=C(c1cccc(Cl)c1)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC000738274693 598386966 /nfs/dbraw/zinc/38/69/66/598386966.db2.gz WGWOCJVJSHIQOT-UHFFFAOYSA-N -1 1 384.831 1.663 20 0 GDADMM C/C(=C\C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1)C1CC1 ZINC000735448999 598407040 /nfs/dbraw/zinc/40/70/40/598407040.db2.gz UDQITKXPLFJOKZ-FMIVXFBMSA-N -1 1 393.407 1.890 20 0 GDADMM C/C(=C\C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1)C1CC1 ZINC000735448999 598407041 /nfs/dbraw/zinc/40/70/41/598407041.db2.gz UDQITKXPLFJOKZ-FMIVXFBMSA-N -1 1 393.407 1.890 20 0 GDADMM CC(C)Cc1nc(-c2nn[n-]n2)c(NNC(=S)NCCc2cccnc2)o1 ZINC000735851065 598496392 /nfs/dbraw/zinc/49/63/92/598496392.db2.gz KWEBYGILSLGHPY-UHFFFAOYSA-N -1 1 387.473 1.482 20 0 GDADMM O=C1OC(c2cccc(F)c2)=NC1=Cc1cnc2c(-c3nnn[n-]3)cnn2c1 ZINC000738321731 598567647 /nfs/dbraw/zinc/56/76/47/598567647.db2.gz XJCVGOYGQCBWMD-YIXHJXPBSA-N -1 1 376.311 1.393 20 0 GDADMM O=C1OC(c2cccc(F)c2)=NC1=Cc1cnc2c(-c3nn[n-]n3)cnn2c1 ZINC000738321731 598567648 /nfs/dbraw/zinc/56/76/48/598567648.db2.gz XJCVGOYGQCBWMD-YIXHJXPBSA-N -1 1 376.311 1.393 20 0 GDADMM Clc1ccc(N2CCc3ncnc(N4CCOCC4)c3C2)nc1-c1nnn[n-]1 ZINC000737572863 598579185 /nfs/dbraw/zinc/57/91/85/598579185.db2.gz AUQLFLZLHLMNOG-UHFFFAOYSA-N -1 1 399.846 1.104 20 0 GDADMM Clc1ccc(N2CCc3ncnc(N4CCOCC4)c3C2)nc1-c1nn[n-]n1 ZINC000737572863 598579187 /nfs/dbraw/zinc/57/91/87/598579187.db2.gz AUQLFLZLHLMNOG-UHFFFAOYSA-N -1 1 399.846 1.104 20 0 GDADMM CCc1cc(NCCCc2[nH]nc(N)c2-c2nn[n-]n2)nc(-c2ccncc2)n1 ZINC000736676239 598591793 /nfs/dbraw/zinc/59/17/93/598591793.db2.gz CUWSDRZAZLNDKG-UHFFFAOYSA-N -1 1 391.443 1.053 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCc1nc(-c2cccnc2)no1 ZINC000737486319 598608886 /nfs/dbraw/zinc/60/88/86/598608886.db2.gz DDVWQTKQERMWLP-UHFFFAOYSA-N -1 1 388.395 1.756 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCc1nc(-c2cccnc2)no1 ZINC000737486319 598608888 /nfs/dbraw/zinc/60/88/88/598608888.db2.gz DDVWQTKQERMWLP-UHFFFAOYSA-N -1 1 388.395 1.756 20 0 GDADMM Cc1nc(C(=O)N2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)c[nH]1 ZINC000737467039 598624419 /nfs/dbraw/zinc/62/44/19/598624419.db2.gz KEJCXDUQJPRYHA-UHFFFAOYSA-N -1 1 395.383 1.109 20 0 GDADMM CCc1nn(CC(=O)N(C)[C@@H]2CCCC[C@H]2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706387 598643150 /nfs/dbraw/zinc/64/31/50/598643150.db2.gz VURKRYLIDUPQKB-IUODEOHRSA-N -1 1 387.488 1.585 20 0 GDADMM O=C([O-])c1c[nH]c2cc(NS(=O)(=O)c3ccccc3-c3nn[nH]n3)ccc12 ZINC000738213840 598675872 /nfs/dbraw/zinc/67/58/72/598675872.db2.gz IFOBVYLVQXCJSB-UHFFFAOYSA-N -1 1 384.377 1.847 20 0 GDADMM CCOC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736590817 598686692 /nfs/dbraw/zinc/68/66/92/598686692.db2.gz LMPUIZHXFNBDEK-CYBMUJFWSA-N -1 1 383.405 1.112 20 0 GDADMM C[C@H](NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1ccc2c(c1)OCO2 ZINC000736128943 598687787 /nfs/dbraw/zinc/68/77/87/598687787.db2.gz BALVWUXMHIZFQB-VIFPVBQESA-N -1 1 391.384 1.774 20 0 GDADMM CN(Cc1nc2ccccc2[nH]1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736831732 598688323 /nfs/dbraw/zinc/68/83/23/598688323.db2.gz SKOAIXSGBHJSPB-UHFFFAOYSA-N -1 1 387.400 1.703 20 0 GDADMM CCOc1ccccc1CNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736653706 598691931 /nfs/dbraw/zinc/69/19/31/598691931.db2.gz LBFUUHIAAYWHMB-UHFFFAOYSA-N -1 1 377.401 1.883 20 0 GDADMM CCCNC(=O)CCC(=O)OCc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000736483509 598723155 /nfs/dbraw/zinc/72/31/55/598723155.db2.gz LXYDPTOLKJEETP-UHFFFAOYSA-N -1 1 397.439 1.710 20 0 GDADMM OC[C@H](c1ccc(Cl)cc1)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000738393421 598756519 /nfs/dbraw/zinc/75/65/19/598756519.db2.gz LGWWMQJZPZCFJP-CQSZACIVSA-N -1 1 386.847 1.166 20 0 GDADMM OC[C@H](c1ccc(Cl)cc1)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000738393421 598756521 /nfs/dbraw/zinc/75/65/21/598756521.db2.gz LGWWMQJZPZCFJP-CQSZACIVSA-N -1 1 386.847 1.166 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCC[S@](=O)C(C)(C)C ZINC000737549721 598768556 /nfs/dbraw/zinc/76/85/56/598768556.db2.gz YAIMAQQXYBMMOJ-MHZLTWQESA-N -1 1 390.469 1.836 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCC[S@](=O)C(C)(C)C ZINC000737549721 598768557 /nfs/dbraw/zinc/76/85/57/598768557.db2.gz YAIMAQQXYBMMOJ-MHZLTWQESA-N -1 1 390.469 1.836 20 0 GDADMM CCc1ccc([C@@H]2CCCCN2c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)o1 ZINC000736682299 599296165 /nfs/dbraw/zinc/29/61/65/599296165.db2.gz AKPOIHUOEBQJSZ-LBPRGKRZSA-N -1 1 385.428 1.151 20 0 GDADMM Cc1nc(C)n(C[C@@H]2CN(c3cc(-c4nnn[n-]4)nc4ccccc43)CCO2)n1 ZINC000737473615 599324423 /nfs/dbraw/zinc/32/44/23/599324423.db2.gz DYJHHKNXRDDBLT-AWEZNQCLSA-N -1 1 391.439 1.529 20 0 GDADMM Cc1nc(C)n(C[C@@H]2CN(c3cc(-c4nn[n-]n4)nc4ccccc43)CCO2)n1 ZINC000737473615 599324428 /nfs/dbraw/zinc/32/44/28/599324428.db2.gz DYJHHKNXRDDBLT-AWEZNQCLSA-N -1 1 391.439 1.529 20 0 GDADMM CC(C)C[C@@H]1COCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000820069264 599344130 /nfs/dbraw/zinc/34/41/30/599344130.db2.gz YICZJSJMOKUGJJ-GFCCVEGCSA-N -1 1 385.877 1.956 20 0 GDADMM COCCCOC1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000821687608 599348232 /nfs/dbraw/zinc/34/82/32/599348232.db2.gz HHVVYTJEIFQUBH-UHFFFAOYSA-N -1 1 399.448 1.212 20 0 GDADMM COCCCOC1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000821687608 599348235 /nfs/dbraw/zinc/34/82/35/599348235.db2.gz HHVVYTJEIFQUBH-UHFFFAOYSA-N -1 1 399.448 1.212 20 0 GDADMM COCCCOC1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000821687772 599348294 /nfs/dbraw/zinc/34/82/94/599348294.db2.gz NVRYXNVIXLNGRQ-UHFFFAOYSA-N -1 1 399.448 1.212 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N(C[C@H]1CCCO1)C1CCCC1 ZINC000823601306 599361603 /nfs/dbraw/zinc/36/16/03/599361603.db2.gz ZNUQRVQYRNOSCD-CYBMUJFWSA-N -1 1 378.458 1.374 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N(C[C@H]1CCCO1)C1CCCC1 ZINC000823601306 599361605 /nfs/dbraw/zinc/36/16/05/599361605.db2.gz ZNUQRVQYRNOSCD-CYBMUJFWSA-N -1 1 378.458 1.374 20 0 GDADMM C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1cccc(-c2nnn[n-]2)n1 ZINC000736226377 599398417 /nfs/dbraw/zinc/39/84/17/599398417.db2.gz WQLVVTWSEHQSRX-GFCCVEGCSA-N -1 1 392.423 1.462 20 0 GDADMM C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1cccc(-c2nn[n-]n2)n1 ZINC000736226377 599398419 /nfs/dbraw/zinc/39/84/19/599398419.db2.gz WQLVVTWSEHQSRX-GFCCVEGCSA-N -1 1 392.423 1.462 20 0 GDADMM Brc1ccc(N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)nc1 ZINC000735367952 599406112 /nfs/dbraw/zinc/40/61/12/599406112.db2.gz BZCDOAQDONVMTJ-UHFFFAOYSA-N -1 1 387.245 1.746 20 0 GDADMM Brc1ccc(N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)nc1 ZINC000735367952 599406113 /nfs/dbraw/zinc/40/61/13/599406113.db2.gz BZCDOAQDONVMTJ-UHFFFAOYSA-N -1 1 387.245 1.746 20 0 GDADMM COc1cc(C(=O)N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)ccc1C ZINC000737034620 599412025 /nfs/dbraw/zinc/41/20/25/599412025.db2.gz KVMRITSGHSVPLI-UHFFFAOYSA-N -1 1 379.424 1.541 20 0 GDADMM COc1cc(C(=O)N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)ccc1C ZINC000737034620 599412028 /nfs/dbraw/zinc/41/20/28/599412028.db2.gz KVMRITSGHSVPLI-UHFFFAOYSA-N -1 1 379.424 1.541 20 0 GDADMM CC(C)(C)NS(=O)(=O)c1ccccc1CNCc1ccc(-c2nnn[n-]2)o1 ZINC000819922081 599416685 /nfs/dbraw/zinc/41/66/85/599416685.db2.gz GTUIGBDTQCEDGS-UHFFFAOYSA-N -1 1 390.469 1.826 20 0 GDADMM CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(-c3nnn[n-]3)o2)NC(=O)N1 ZINC000820634775 599492065 /nfs/dbraw/zinc/49/20/65/599492065.db2.gz JLAFYZUWCAXBRD-AWEZNQCLSA-N -1 1 383.343 1.865 20 0 GDADMM CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(-c3nn[n-]n3)o2)NC(=O)N1 ZINC000820634775 599492066 /nfs/dbraw/zinc/49/20/66/599492066.db2.gz JLAFYZUWCAXBRD-AWEZNQCLSA-N -1 1 383.343 1.865 20 0 GDADMM Cc1nnc(CN2CCN(c3cc(-c4nnn[n-]4)nc4ccccc43)CC2)n1C ZINC000822510610 599541135 /nfs/dbraw/zinc/54/11/35/599541135.db2.gz RSOBHMKXCQPLFR-UHFFFAOYSA-N -1 1 390.455 1.174 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GDADMM C[S@](=O)c1ccc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826224606 607665365 /nfs/dbraw/zinc/66/53/65/607665365.db2.gz INWVEYYUBFLTQQ-VWLOTQADSA-N -1 1 395.441 1.222 20 0 GDADMM C[S@](=O)c1ccc(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826224606 607665367 /nfs/dbraw/zinc/66/53/67/607665367.db2.gz INWVEYYUBFLTQQ-VWLOTQADSA-N -1 1 395.441 1.222 20 0 GDADMM O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCN(C[C@H]2CCCO2)CC1 ZINC000832757380 604035861 /nfs/dbraw/zinc/03/58/61/604035861.db2.gz FSEMMAPNRCSNFA-QYZOEREBSA-N -1 1 377.485 1.023 20 0 GDADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)Nc2cc(C(N)=O)ccc2CN(C)C)C1 ZINC000825228231 604092441 /nfs/dbraw/zinc/09/24/41/604092441.db2.gz JFGPGUOCZKZFJU-GXTWGEPZSA-N -1 1 391.472 1.747 20 0 GDADMM CN(C[C@@H]1CCCN1CC(=O)N1CCN(Cc2cccs2)CC1)C(=O)[O-] ZINC000828224073 604094954 /nfs/dbraw/zinc/09/49/54/604094954.db2.gz UULJHSDWCRSJKK-HNNXBMFYSA-N -1 1 380.514 1.467 20 0 GDADMM COc1cc2c(cc1OC)CN(C(=O)CN1CCC[C@@H]1CN(C)C(=O)[O-])CC2 ZINC000829224977 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382.505 1.166 20 0 GDADMM CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000532254067 604413480 /nfs/dbraw/zinc/41/34/80/604413480.db2.gz XZJBKRZHVJICDA-UHFFFAOYSA-N -1 1 391.405 1.125 20 0 GDADMM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000827010737 604430268 /nfs/dbraw/zinc/43/02/68/604430268.db2.gz KCUMLUFXNMIYQF-SFHVURJKSA-N -1 1 377.485 1.384 20 0 GDADMM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000827002174 604433401 /nfs/dbraw/zinc/43/34/01/604433401.db2.gz WDWAACNPBUQPSX-CQSZACIVSA-N -1 1 393.465 1.412 20 0 GDADMM COc1ccc(CN(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cn1 ZINC000826193201 607693789 /nfs/dbraw/zinc/69/37/89/607693789.db2.gz UJYZEWMEBDEUHL-UHFFFAOYSA-N -1 1 378.389 1.230 20 0 GDADMM CCCCn1c2nc(CN(C)C3(C(=O)[O-])CCCC3)n(C)c2c(=O)[nH]c1=O ZINC000829439614 604463443 /nfs/dbraw/zinc/46/34/43/604463443.db2.gz AUBOMPOBJCVGES-UHFFFAOYSA-N -1 1 377.445 1.465 20 0 GDADMM O=C([O-])c1csc(NC(=O)NC[C@H](O)CN2CCc3ccccc3C2)c1 ZINC000833135614 604516438 /nfs/dbraw/zinc/51/64/38/604516438.db2.gz SOTXLVBLKVIEGP-HNNXBMFYSA-N -1 1 375.450 1.987 20 0 GDADMM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)NCCN2CCc3ccccc3C2)CCO1 ZINC000825318073 604530116 /nfs/dbraw/zinc/53/01/16/604530116.db2.gz KQKNSNHBOPTFTF-RHSMWYFYSA-N -1 1 376.457 1.111 20 0 GDADMM C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(SCCC(=O)[O-])c2)CN1C1CC1 ZINC000833597186 604627963 /nfs/dbraw/zinc/62/79/63/604627963.db2.gz OCWJGCDHKMAQOY-OCCSQVGLSA-N -1 1 391.493 1.933 20 0 GDADMM COc1cccc([C@H](CNC(=O)[C@H]2CN(C(=O)[O-])CCO2)N2CCCC2)c1 ZINC000829544778 604652515 /nfs/dbraw/zinc/65/25/15/604652515.db2.gz YCIAPIRCPGRARJ-DLBZAZTESA-N -1 1 377.441 1.327 20 0 GDADMM COc1ccccc1[C@H](CNC(=O)C[C@@H]1CN(C(=O)[O-])CCO1)N1CCCC1 ZINC000829591789 604653337 /nfs/dbraw/zinc/65/33/37/604653337.db2.gz HUBCUNCWXAFXOT-WBVHZDCISA-N -1 1 391.468 1.717 20 0 GDADMM O=C([O-])N1CCO[C@@H](C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000831604701 604660385 /nfs/dbraw/zinc/66/03/85/604660385.db2.gz VIQPVSMBXOYFMA-MRXNPFEDSA-N -1 1 381.860 1.799 20 0 GDADMM C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)N1CCC(O)(C(=O)[O-])CC1 ZINC000833402172 604725138 /nfs/dbraw/zinc/72/51/38/604725138.db2.gz DOURFNSARMBAJZ-ZDUSSCGKSA-N -1 1 384.860 1.477 20 0 GDADMM Cc1nc(C)n(C[C@@H]2CCCN(CC(=O)N(C)c3ccccc3C(=O)[O-])C2)n1 ZINC000832995514 604757723 /nfs/dbraw/zinc/75/77/23/604757723.db2.gz GNMSUCFSMBZEKZ-MRXNPFEDSA-N -1 1 385.468 1.968 20 0 GDADMM C[C@@H]1CN(Cc2ccc(CNC(=O)c3cnc(C(=O)[O-])cn3)cc2)C[C@H](C)O1 ZINC000570161601 604782408 /nfs/dbraw/zinc/78/24/08/604782408.db2.gz SKPLPCDZSIJCSW-OKILXGFUSA-N -1 1 384.436 1.714 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)c[nH]1 ZINC000831348370 604808646 /nfs/dbraw/zinc/80/86/46/604808646.db2.gz GHXJVLRCPQLQMY-UHFFFAOYSA-N -1 1 388.785 1.719 20 0 GDADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CC(=O)N(C)Cc1cccs1 ZINC000826295253 607717041 /nfs/dbraw/zinc/71/70/41/607717041.db2.gz YVQFUQJZAIKKSZ-UHFFFAOYSA-N -1 1 395.448 1.605 20 0 GDADMM CC(=O)N1CCCN([C@H]2CN(c3nc(Cl)c(C(=O)[O-])s3)C[C@@H]2C)CC1 ZINC000833393041 604831827 /nfs/dbraw/zinc/83/18/27/604831827.db2.gz GZNWYBXIJHQCLL-JQWIXIFHSA-N -1 1 386.905 1.874 20 0 GDADMM CC(=O)N1c2ccc(S(=O)(=O)Nc3cncc(C(=O)[O-])c3)cc2C[C@@H]1C ZINC000825854177 604889065 /nfs/dbraw/zinc/88/90/65/604889065.db2.gz MTDDZHFGIFBPGC-JTQLQIEISA-N -1 1 375.406 1.878 20 0 GDADMM CC(=O)N[C@@H](CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-])c1ccc(Cl)cc1 ZINC000833395561 604899332 /nfs/dbraw/zinc/89/93/32/604899332.db2.gz OIJQSBDVJQRYBB-GJZGRUSLSA-N -1 1 378.816 1.443 20 0 GDADMM C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)CC1 ZINC000833550961 604946648 /nfs/dbraw/zinc/94/66/48/604946648.db2.gz PPZRMKVVDYWHML-KBXCAEBGSA-N -1 1 390.484 1.474 20 0 GDADMM COC(=O)C1=C(CN2CCC[C@H]2CC(=O)[O-])N(C)C(=O)N[C@@H]1c1ccccc1 ZINC000833703039 604967921 /nfs/dbraw/zinc/96/79/21/604967921.db2.gz DBIOHFUXOFQARJ-KBXCAEBGSA-N -1 1 387.436 1.749 20 0 GDADMM CCOC(=O)NCCCC(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000825523299 607727094 /nfs/dbraw/zinc/72/70/94/607727094.db2.gz PQUSOOHTEMSIGW-UHFFFAOYSA-N -1 1 394.388 1.085 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)c(C(=O)[O-])s1 ZINC000833713818 605039798 /nfs/dbraw/zinc/03/97/98/605039798.db2.gz HDKLKCDHJCNQDG-UWVGGRQHSA-N -1 1 390.483 1.336 20 0 GDADMM COc1ccccc1N1CC[C@@H](NC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)C1 ZINC000833736673 605057437 /nfs/dbraw/zinc/05/74/37/605057437.db2.gz TXXHJWZQESBRDE-JKSUJKDBSA-N -1 1 390.484 1.464 20 0 GDADMM CC(C)c1ccc(N2CC[C@H](C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)[O-])C2=O)cc1 ZINC000833510382 605075918 /nfs/dbraw/zinc/07/59/18/605075918.db2.gz UDRYEEDTXJTOTJ-SJORKVTESA-N -1 1 384.436 1.698 20 0 GDADMM CC(C)(C)OC(=O)N1CCC2(C[C@@H]2C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])CC1 ZINC000833436532 605080623 /nfs/dbraw/zinc/08/06/23/605080623.db2.gz JYIFFKBZLXOFBB-KGLIPLIRSA-N -1 1 392.456 1.559 20 0 GDADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000833767552 605081385 /nfs/dbraw/zinc/08/13/85/605081385.db2.gz HALQUFCUTPOHRE-WBVHZDCISA-N -1 1 384.436 1.003 20 0 GDADMM CC(C)CNC(=O)N1CCC[C@H](C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)C1 ZINC000833488550 605104101 /nfs/dbraw/zinc/10/41/01/605104101.db2.gz QNOKSYIHSCUIDC-HOTGVXAUSA-N -1 1 382.505 1.071 20 0 GDADMM COc1ccccc1N1C[C@@H](C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)CC1=O ZINC000833736284 605113138 /nfs/dbraw/zinc/11/31/38/605113138.db2.gz DRQTWTLZSWEEIJ-CABCVRRESA-N -1 1 389.452 1.056 20 0 GDADMM CNC(=O)[C@H](NCC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2)C(C)C ZINC000833699635 605141184 /nfs/dbraw/zinc/14/11/84/605141184.db2.gz UQWPXAIGUKINBI-ZUZCIYMTSA-N -1 1 381.498 1.870 20 0 GDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H]1CCCN1C(=O)Cc1cccs1 ZINC000833618356 605164892 /nfs/dbraw/zinc/16/48/92/605164892.db2.gz AWLUXDBVKQOSDK-HOCLYGCPSA-N -1 1 393.509 1.289 20 0 GDADMM COCCN1CCC[C@@H]1CNS(=O)(=O)c1cccc2c1ccnc2C(=O)[O-] ZINC000833724783 605188519 /nfs/dbraw/zinc/18/85/19/605188519.db2.gz RJCCPCBISONWFY-CYBMUJFWSA-N -1 1 393.465 1.322 20 0 GDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000833628622 605194299 /nfs/dbraw/zinc/19/42/99/605194299.db2.gz MERSYABHCPCKPK-GFCCVEGCSA-N -1 1 378.454 1.822 20 0 GDADMM CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)c1 ZINC000833398881 605203970 /nfs/dbraw/zinc/20/39/70/605203970.db2.gz VRWZUWURSOQIQA-LBPRGKRZSA-N -1 1 390.440 1.224 20 0 GDADMM Cc1ccc(S(=O)(=O)NC2CCN(C[C@H]3CCCO3)CC2)c(C(=O)[O-])c1 ZINC000833751396 605205054 /nfs/dbraw/zinc/20/50/54/605205054.db2.gz IDKJXBVPPHRMLE-OAHLLOKOSA-N -1 1 382.482 1.615 20 0 GDADMM CC1CCC2(CC1)OC[C@H](CNC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)O2 ZINC000833610331 605214763 /nfs/dbraw/zinc/21/47/63/605214763.db2.gz KUVOYMPPLVAPNQ-BHEGOAEISA-N -1 1 383.489 1.499 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(Cl)c(N3CCNC3=O)c2)CCN1CCC(=O)[O-] ZINC000833623788 605257062 /nfs/dbraw/zinc/25/70/62/605257062.db2.gz QXECNXOBIBDCKF-GFCCVEGCSA-N -1 1 394.859 1.491 20 0 GDADMM C[C@@H]1CN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)CCN1CCC(=O)[O-] ZINC000833617356 605278382 /nfs/dbraw/zinc/27/83/82/605278382.db2.gz CNDRQSVNIHZJBW-IXDOHACOSA-N -1 1 379.501 1.423 20 0 GDADMM COc1ccccc1N1C[C@H](C(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)CC1=O ZINC000833736710 605279591 /nfs/dbraw/zinc/27/95/91/605279591.db2.gz VAJISMWEWJONHO-HUUCEWRRSA-N -1 1 389.452 1.056 20 0 GDADMM CC(=O)N1CC[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)[C@H](C)C1 ZINC000823972439 607745950 /nfs/dbraw/zinc/74/59/50/607745950.db2.gz BCRBUDHCKMSMLF-BXKDBHETSA-N -1 1 398.876 1.055 20 0 GDADMM CC(=O)N1CC[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)[C@H](C)C1 ZINC000823972439 607745951 /nfs/dbraw/zinc/74/59/51/607745951.db2.gz BCRBUDHCKMSMLF-BXKDBHETSA-N -1 1 398.876 1.055 20 0 GDADMM C[C@]1(C2CCN([C@H](C(=O)[O-])c3c(F)cccc3Cl)CC2)NC(=O)NC1=O ZINC000833563444 605375972 /nfs/dbraw/zinc/37/59/72/605375972.db2.gz FKSWQRXTDCRQON-SUMWQHHRSA-N -1 1 383.807 1.915 20 0 GDADMM O=C([O-])N1CCC[C@H]1CCC(=O)OCC1=Nc2ccccc2S(=O)(=O)N1 ZINC000833997037 605433199 /nfs/dbraw/zinc/43/31/99/605433199.db2.gz RYORJFRUBAEACB-NSHDSACASA-N -1 1 381.410 1.474 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCc1ncccc1F ZINC000826328572 607758988 /nfs/dbraw/zinc/75/89/88/607758988.db2.gz WFKOVWDLTCGJNB-UHFFFAOYSA-N -1 1 395.402 1.309 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCc1ncccc1F ZINC000826328572 607758989 /nfs/dbraw/zinc/75/89/89/607758989.db2.gz WFKOVWDLTCGJNB-UHFFFAOYSA-N -1 1 395.402 1.309 20 0 GDADMM O=C([O-])N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(CCOCC(F)(F)F)C1 ZINC000834027591 605521275 /nfs/dbraw/zinc/52/12/75/605521275.db2.gz MAHRBFYRKQBHTF-QWHCGFSZSA-N -1 1 381.395 1.536 20 0 GDADMM CCOc1ccc(-c2noc(CONC(=N)[C@@H]3COCCN3C(=O)[O-])n2)cc1 ZINC000833862721 605732544 /nfs/dbraw/zinc/73/25/44/605732544.db2.gz MSNPXHBSMFTKTO-ZDUSSCGKSA-N -1 1 391.384 1.513 20 0 GDADMM O=C([O-])N1CC[C@H](CCNC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)C1 ZINC000834072848 605822550 /nfs/dbraw/zinc/82/25/50/605822550.db2.gz HKXVLUPPDBLKBF-JSGCOSHPSA-N -1 1 376.461 1.961 20 0 GDADMM COC(=O)c1ccc(S(=O)(=O)Nc2cnc3c(c2)CN(C(=O)[O-])CC3)cc1 ZINC000833879973 605876489 /nfs/dbraw/zinc/87/64/89/605876489.db2.gz CBCCXBZSJDAORS-UHFFFAOYSA-N -1 1 391.405 1.705 20 0 GDADMM O=C([O-])N[C@H](CNC(=O)CCn1c(=O)c2ccccc2[nH]c1=S)C1CC1 ZINC000834140144 605994705 /nfs/dbraw/zinc/99/47/05/605994705.db2.gz LNZAUKQURGYYOY-CYBMUJFWSA-N -1 1 376.438 1.238 20 0 GDADMM C[C@H]1[C@H](C)N(C(=O)[O-])CCN1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000833825878 606040473 /nfs/dbraw/zinc/04/04/73/606040473.db2.gz DHXXUMUHGZCWDX-HOTGVXAUSA-N -1 1 375.473 1.193 20 0 GDADMM O=C([O-])Nc1cnc(C(=O)Nc2ccc3nc(N4CCOCC4)[nH]c3c2)cn1 ZINC000834278470 606068087 /nfs/dbraw/zinc/06/80/87/606068087.db2.gz KTOLDSNDWHKDBL-UHFFFAOYSA-N -1 1 383.368 1.532 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)n1 ZINC000822609508 606157765 /nfs/dbraw/zinc/15/77/65/606157765.db2.gz OTHPQKJBYQTYPT-ZDUSSCGKSA-N -1 1 396.411 1.740 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)n1 ZINC000822609508 606157767 /nfs/dbraw/zinc/15/77/67/606157767.db2.gz OTHPQKJBYQTYPT-ZDUSSCGKSA-N -1 1 396.411 1.740 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H](c2ccccc2)c2ccncc2)n1 ZINC000822608856 606162739 /nfs/dbraw/zinc/16/27/39/606162739.db2.gz ICQYEXBSVAATAK-OAHLLOKOSA-N -1 1 375.396 1.906 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H](c2ccccc2)c2ccncc2)n1 ZINC000822608856 606162741 /nfs/dbraw/zinc/16/27/41/606162741.db2.gz ICQYEXBSVAATAK-OAHLLOKOSA-N -1 1 375.396 1.906 20 0 GDADMM Cc1ccc(-c2nc(CNC(=O)Nc3nn(C)cc3-c3nnn[n-]3)co2)cc1 ZINC000822213862 606168847 /nfs/dbraw/zinc/16/88/47/606168847.db2.gz DOJBVPKGLZDFPE-UHFFFAOYSA-N -1 1 379.384 1.885 20 0 GDADMM Cc1ccc(-c2nc(CNC(=O)Nc3nn(C)cc3-c3nn[n-]n3)co2)cc1 ZINC000822213862 606168848 /nfs/dbraw/zinc/16/88/48/606168848.db2.gz DOJBVPKGLZDFPE-UHFFFAOYSA-N -1 1 379.384 1.885 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccccc2Br)n1 ZINC000822619830 606169369 /nfs/dbraw/zinc/16/93/69/606169369.db2.gz HJYWCYNSEUNROL-UHFFFAOYSA-N -1 1 377.206 1.684 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccccc2Br)n1 ZINC000822619830 606169370 /nfs/dbraw/zinc/16/93/70/606169370.db2.gz HJYWCYNSEUNROL-UHFFFAOYSA-N -1 1 377.206 1.684 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCc2ccccc2Br)n1 ZINC000822619662 606169453 /nfs/dbraw/zinc/16/94/53/606169453.db2.gz DLEMULYOAGNSNH-UHFFFAOYSA-N -1 1 391.233 1.727 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCc2ccccc2Br)n1 ZINC000822619662 606169454 /nfs/dbraw/zinc/16/94/54/606169454.db2.gz DLEMULYOAGNSNH-UHFFFAOYSA-N -1 1 391.233 1.727 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@@H](O)c1ccccc1 ZINC000822004325 606204559 /nfs/dbraw/zinc/20/45/59/606204559.db2.gz FOWUYRXWGYIKHC-OAHLLOKOSA-N -1 1 382.424 1.367 20 0 GDADMM O=C([C@H]1C[C@@H]1C1CC1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000822917092 606277792 /nfs/dbraw/zinc/27/77/92/606277792.db2.gz NFHHQFXEGUMDJZ-OLZOCXBDSA-N -1 1 395.423 1.809 20 0 GDADMM C[C@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])n1nnc(-c2ccccc2)n1 ZINC000819865758 606293832 /nfs/dbraw/zinc/29/38/32/606293832.db2.gz HFURSNVBCQXZPR-SNVBAGLBSA-N -1 1 377.368 1.426 20 0 GDADMM C[C@@H]1Oc2ccccc2N(CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])C1=O ZINC000820821655 606295164 /nfs/dbraw/zinc/29/51/64/606295164.db2.gz UGRSNVSVLVALIH-JTQLQIEISA-N -1 1 380.364 1.325 20 0 GDADMM O=C(COc1ccc2c(c1)CCC(=O)N2)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823040596 606296806 /nfs/dbraw/zinc/29/68/06/606296806.db2.gz OIPGONXFZNKFTA-UHFFFAOYSA-N -1 1 380.364 1.475 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000823289952 606297998 /nfs/dbraw/zinc/29/79/98/606297998.db2.gz QOWRWZUSZTYJMM-ZDUSSCGKSA-N -1 1 385.428 1.439 20 0 GDADMM CCCN1C(=S)N[C@H](c2ccc(-c3nn[n-]n3)s2)C(C(=O)N(C)C)=C1C ZINC000821109304 606393514 /nfs/dbraw/zinc/39/35/14/606393514.db2.gz GRPGTKWHCJYWNN-CYBMUJFWSA-N -1 1 391.526 1.932 20 0 GDADMM CC1=C(C(=O)N(C)C)[C@@H](c2ccc(-c3nn[n-]n3)s2)NC(=S)N1C1CC1 ZINC000820633403 606395289 /nfs/dbraw/zinc/39/52/89/606395289.db2.gz BCNHDAFLDJYTIA-CYBMUJFWSA-N -1 1 389.510 1.684 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC=C(c3ccc(Cl)cc3)CC2)n(C)c1=O ZINC000822599242 606432836 /nfs/dbraw/zinc/43/28/36/606432836.db2.gz CAIMVRXVBPKJOF-UHFFFAOYSA-N -1 1 399.842 1.211 20 0 GDADMM CCC[C@H]1C[C@@H]1NC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000821034625 606442052 /nfs/dbraw/zinc/44/20/52/606442052.db2.gz PXCFHUKVDUPUIV-STQMWFEESA-N -1 1 386.460 1.752 20 0 GDADMM CNS(=O)(=O)c1ccc([C@H](C)Nc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000821637438 606459132 /nfs/dbraw/zinc/45/91/32/606459132.db2.gz GEHLWAQPWNUUOS-VIFPVBQESA-N -1 1 393.860 1.996 20 0 GDADMM CNS(=O)(=O)c1ccc([C@H](C)Nc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000821637438 606459133 /nfs/dbraw/zinc/45/91/33/606459133.db2.gz GEHLWAQPWNUUOS-VIFPVBQESA-N -1 1 393.860 1.996 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)N1CCN(c2ccccc2)CC1 ZINC000820270040 606525848 /nfs/dbraw/zinc/52/58/48/606525848.db2.gz SWAHSLCDGRCJOT-AWEZNQCLSA-N -1 1 397.508 1.869 20 0 GDADMM CCn1ccnc1CN1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000821566534 606553895 /nfs/dbraw/zinc/55/38/95/606553895.db2.gz IOHSAAGALBHWHO-UHFFFAOYSA-N -1 1 386.485 1.493 20 0 GDADMM CCN1C(=S)N=NC1C1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000821563864 606556732 /nfs/dbraw/zinc/55/67/32/606556732.db2.gz IXFOEVPUKUGYSQ-UHFFFAOYSA-N -1 1 390.498 1.848 20 0 GDADMM CCN1C(=S)N=NC1C1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000821563864 606556733 /nfs/dbraw/zinc/55/67/33/606556733.db2.gz IXFOEVPUKUGYSQ-UHFFFAOYSA-N -1 1 390.498 1.848 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)CCN1C[C@@H](O)c1ccccc1 ZINC000820741969 606566037 /nfs/dbraw/zinc/56/60/37/606566037.db2.gz GXUKCDDUVJQGIX-UKRRQHHQSA-N -1 1 398.492 1.808 20 0 GDADMM C[C@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000819865405 606607086 /nfs/dbraw/zinc/60/70/86/606607086.db2.gz FEFCENVXJINFPV-JTQLQIEISA-N -1 1 387.421 1.718 20 0 GDADMM O=C(C1CC(F)(F)C1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000822912272 606619438 /nfs/dbraw/zinc/61/94/38/606619438.db2.gz UMACVYLEIYQGNI-UHFFFAOYSA-N -1 1 379.371 1.426 20 0 GDADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CC(=O)c2cc(F)c(C)cc2F)c1 ZINC000821666748 606627456 /nfs/dbraw/zinc/62/74/56/606627456.db2.gz CEQLYZPXSFGTPM-UHFFFAOYSA-N -1 1 389.318 1.285 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)N2CC(OCC(F)F)C2)c1-c1nn[n-]n1 ZINC000821989442 606640155 /nfs/dbraw/zinc/64/01/55/606640155.db2.gz LCPSNNKAYRJTIN-UHFFFAOYSA-N -1 1 396.423 1.967 20 0 GDADMM CCC[C@H](NC(=O)Cc1ccccc1)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821020906 606647115 /nfs/dbraw/zinc/64/71/15/606647115.db2.gz JKTILONUXBTTET-INIZCTEOSA-N -1 1 394.435 1.833 20 0 GDADMM CCC[C@H](NC(=O)Cc1ccccc1)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821020906 606647116 /nfs/dbraw/zinc/64/71/16/606647116.db2.gz JKTILONUXBTTET-INIZCTEOSA-N -1 1 394.435 1.833 20 0 GDADMM C[C@H](C(=O)OCc1ccnc(-c2nnn[n-]2)c1)n1nnc(-c2ccccc2)n1 ZINC000819883971 606650077 /nfs/dbraw/zinc/65/00/77/606650077.db2.gz PNBPQAZFDBTNCA-LLVKDONJSA-N -1 1 377.368 1.220 20 0 GDADMM C[C@H](C(=O)OCc1ccnc(-c2nn[n-]n2)c1)n1nnc(-c2ccccc2)n1 ZINC000819883971 606650078 /nfs/dbraw/zinc/65/00/78/606650078.db2.gz PNBPQAZFDBTNCA-LLVKDONJSA-N -1 1 377.368 1.220 20 0 GDADMM Cc1ccccc1[C@H](CC(=O)OCc1ccnc(-c2nnn[n-]2)c1)NC(N)=O ZINC000822345181 606650560 /nfs/dbraw/zinc/65/05/60/606650560.db2.gz HDVCVNHHRHWAAM-AWEZNQCLSA-N -1 1 381.396 1.413 20 0 GDADMM Cc1ccccc1[C@H](CC(=O)OCc1ccnc(-c2nn[n-]n2)c1)NC(N)=O ZINC000822345181 606650561 /nfs/dbraw/zinc/65/05/61/606650561.db2.gz HDVCVNHHRHWAAM-AWEZNQCLSA-N -1 1 381.396 1.413 20 0 GDADMM Cc1cc(C)cc(N2CC[C@@H](C(=O)OCc3ccnc(-c4nnn[n-]4)c3)C2=O)c1 ZINC000822196615 606652664 /nfs/dbraw/zinc/65/26/64/606652664.db2.gz QCZCKYGPRMKSKY-MRXNPFEDSA-N -1 1 392.419 1.975 20 0 GDADMM Cc1cc(C)cc(N2CC[C@@H](C(=O)OCc3ccnc(-c4nn[n-]n4)c3)C2=O)c1 ZINC000822196615 606652665 /nfs/dbraw/zinc/65/26/65/606652665.db2.gz QCZCKYGPRMKSKY-MRXNPFEDSA-N -1 1 392.419 1.975 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000823436260 606653734 /nfs/dbraw/zinc/65/37/34/606653734.db2.gz OBSGBDOKFNBCEI-UHFFFAOYSA-N -1 1 392.419 1.857 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000823436260 606653735 /nfs/dbraw/zinc/65/37/35/606653735.db2.gz OBSGBDOKFNBCEI-UHFFFAOYSA-N -1 1 392.419 1.857 20 0 GDADMM Cc1ccn2c(c1)nnc2NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000822373706 606693532 /nfs/dbraw/zinc/69/35/32/606693532.db2.gz AEZGJQTVZFSLDV-UHFFFAOYSA-N -1 1 393.411 1.507 20 0 GDADMM CC(=O)Nc1cc(C(=O)n2ncc(-c3nn[n-]n3)c2N)cc(C(F)(F)F)c1 ZINC000819810358 606763676 /nfs/dbraw/zinc/76/36/76/606763676.db2.gz IFRPIRPESSVNJA-UHFFFAOYSA-N -1 1 380.290 1.311 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cn1ccc(C(F)(F)F)n1 ZINC000820804610 606769529 /nfs/dbraw/zinc/76/95/29/606769529.db2.gz VWXKOPUBCJNHBM-SNVBAGLBSA-N -1 1 394.365 1.040 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cn1ccc(C(F)(F)F)n1 ZINC000820804610 606769530 /nfs/dbraw/zinc/76/95/30/606769530.db2.gz VWXKOPUBCJNHBM-SNVBAGLBSA-N -1 1 394.365 1.040 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1noc(C(C)(C)C)n1 ZINC000820803923 606783559 /nfs/dbraw/zinc/78/35/59/606783559.db2.gz JRZMMTCPXCXZLF-LLVKDONJSA-N -1 1 384.448 1.048 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1noc(C(C)(C)C)n1 ZINC000820803923 606783560 /nfs/dbraw/zinc/78/35/60/606783560.db2.gz JRZMMTCPXCXZLF-LLVKDONJSA-N -1 1 384.448 1.048 20 0 GDADMM COC(=O)c1cc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)oc1C ZINC000821666975 606783649 /nfs/dbraw/zinc/78/36/49/606783649.db2.gz OIKYANUXTSEYGM-NSHDSACASA-N -1 1 398.427 1.055 20 0 GDADMM COC(=O)c1cc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)oc1C ZINC000821666975 606783650 /nfs/dbraw/zinc/78/36/50/606783650.db2.gz OIKYANUXTSEYGM-NSHDSACASA-N -1 1 398.427 1.055 20 0 GDADMM Cc1ccsc1CNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000822379193 606791647 /nfs/dbraw/zinc/79/16/47/606791647.db2.gz LXHNTNXBHWRFHG-LBPRGKRZSA-N -1 1 399.484 1.447 20 0 GDADMM Cc1ccsc1CNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000822379193 606791649 /nfs/dbraw/zinc/79/16/49/606791649.db2.gz LXHNTNXBHWRFHG-LBPRGKRZSA-N -1 1 399.484 1.447 20 0 GDADMM C[C@H](NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)C1CCCC1 ZINC000820351231 606791659 /nfs/dbraw/zinc/79/16/59/606791659.db2.gz NCFNPLBLYYSOSR-STQMWFEESA-N -1 1 385.476 1.456 20 0 GDADMM C[C@H](NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)C1CCCC1 ZINC000820351231 606791661 /nfs/dbraw/zinc/79/16/61/606791661.db2.gz NCFNPLBLYYSOSR-STQMWFEESA-N -1 1 385.476 1.456 20 0 GDADMM C[C@@H]1CC[C@H](NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)[C@H](C)C1 ZINC000820691109 606792571 /nfs/dbraw/zinc/79/25/71/606792571.db2.gz VKAATJIAGDSGNR-TUVASFSCSA-N -1 1 399.503 1.702 20 0 GDADMM C[C@@H]1CC[C@H](NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)[C@H](C)C1 ZINC000820691109 606792573 /nfs/dbraw/zinc/79/25/73/606792573.db2.gz VKAATJIAGDSGNR-TUVASFSCSA-N -1 1 399.503 1.702 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCCCO[C@@H]1CCOC1 ZINC000822542522 606811783 /nfs/dbraw/zinc/81/17/83/606811783.db2.gz YQHCXCLDJORIEH-CYBMUJFWSA-N -1 1 386.412 1.484 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCCO[C@@H]1CCOC1 ZINC000822542522 606811786 /nfs/dbraw/zinc/81/17/86/606811786.db2.gz YQHCXCLDJORIEH-CYBMUJFWSA-N -1 1 386.412 1.484 20 0 GDADMM C[C@@H](Cc1ccccc1)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820298804 606819580 /nfs/dbraw/zinc/81/95/80/606819580.db2.gz AKLXZPCUOZPEIP-LSDHHAIUSA-N -1 1 392.467 1.573 20 0 GDADMM C[C@@H](Cc1ccccc1)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820298804 606819583 /nfs/dbraw/zinc/81/95/83/606819583.db2.gz AKLXZPCUOZPEIP-LSDHHAIUSA-N -1 1 392.467 1.573 20 0 GDADMM CC(C)c1nc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cs1 ZINC000820203126 606819673 /nfs/dbraw/zinc/81/96/73/606819673.db2.gz QAOWLXPYPCIARR-NSHDSACASA-N -1 1 399.484 1.588 20 0 GDADMM CC(C)c1nc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cs1 ZINC000820203126 606819674 /nfs/dbraw/zinc/81/96/74/606819674.db2.gz QAOWLXPYPCIARR-NSHDSACASA-N -1 1 399.484 1.588 20 0 GDADMM CCc1sc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cc1C ZINC000821563723 606820792 /nfs/dbraw/zinc/82/07/92/606820792.db2.gz CDRILMQTUJZKAW-GFCCVEGCSA-N -1 1 398.496 1.940 20 0 GDADMM CCc1sc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cc1C ZINC000821563723 606820794 /nfs/dbraw/zinc/82/07/94/606820794.db2.gz CDRILMQTUJZKAW-GFCCVEGCSA-N -1 1 398.496 1.940 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc2cc[nH]c2c1 ZINC000820788491 606821799 /nfs/dbraw/zinc/82/17/99/606821799.db2.gz IJHLTEFKBACFMI-GFCCVEGCSA-N -1 1 389.423 1.489 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc2cc[nH]c2c1 ZINC000820788491 606821800 /nfs/dbraw/zinc/82/18/00/606821800.db2.gz IJHLTEFKBACFMI-GFCCVEGCSA-N -1 1 389.423 1.489 20 0 GDADMM Cc1cccc(CCC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1 ZINC000822299584 606822458 /nfs/dbraw/zinc/82/24/58/606822458.db2.gz NRFJUCNOIXXSPI-OAHLLOKOSA-N -1 1 392.467 1.635 20 0 GDADMM Cc1cccc(CCC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1 ZINC000822299584 606822460 /nfs/dbraw/zinc/82/24/60/606822460.db2.gz NRFJUCNOIXXSPI-OAHLLOKOSA-N -1 1 392.467 1.635 20 0 GDADMM Cc1ccc(CCC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)o1 ZINC000822234616 606822793 /nfs/dbraw/zinc/82/27/93/606822793.db2.gz BLMRBXJYBGUVID-LBPRGKRZSA-N -1 1 382.428 1.228 20 0 GDADMM Cc1ccc(CCC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)o1 ZINC000822234616 606822794 /nfs/dbraw/zinc/82/27/94/606822794.db2.gz BLMRBXJYBGUVID-LBPRGKRZSA-N -1 1 382.428 1.228 20 0 GDADMM CC(C)CCO[C@H](C)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820076611 606822952 /nfs/dbraw/zinc/82/29/52/606822952.db2.gz OXOOZMQBXHTLKI-ZIAGYGMSSA-N -1 1 388.476 1.145 20 0 GDADMM CC(C)CCO[C@H](C)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820076611 606822953 /nfs/dbraw/zinc/82/29/53/606822953.db2.gz OXOOZMQBXHTLKI-ZIAGYGMSSA-N -1 1 388.476 1.145 20 0 GDADMM C[C@H](Oc1ccccc1)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820535136 606823148 /nfs/dbraw/zinc/82/31/48/606823148.db2.gz NYOONWRXPZDWKW-KGLIPLIRSA-N -1 1 394.439 1.161 20 0 GDADMM C[C@H](Oc1ccccc1)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820535136 606823149 /nfs/dbraw/zinc/82/31/49/606823149.db2.gz NYOONWRXPZDWKW-KGLIPLIRSA-N -1 1 394.439 1.161 20 0 GDADMM CCCCCCOCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821055512 606823960 /nfs/dbraw/zinc/82/39/60/606823960.db2.gz BQCKWTFCWUQFNK-CQSZACIVSA-N -1 1 388.476 1.291 20 0 GDADMM CCCCCCOCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821055512 606823961 /nfs/dbraw/zinc/82/39/61/606823961.db2.gz BQCKWTFCWUQFNK-CQSZACIVSA-N -1 1 388.476 1.291 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C=Cc1ccccc1F ZINC000820774518 606824740 /nfs/dbraw/zinc/82/47/40/606824740.db2.gz FDBATDMDXIJXIP-YBJDMEARSA-N -1 1 394.414 1.546 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C=Cc1ccccc1F ZINC000820774518 606824741 /nfs/dbraw/zinc/82/47/41/606824741.db2.gz FDBATDMDXIJXIP-YBJDMEARSA-N -1 1 394.414 1.546 20 0 GDADMM CCOc1ccc([C@@H](C)NC(=O)Cn2cccc(-c3nn[n-]n3)c2=O)cc1OC ZINC000821417395 606824929 /nfs/dbraw/zinc/82/49/29/606824929.db2.gz MWMNVDKFHWSIKK-GFCCVEGCSA-N -1 1 398.423 1.313 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NC[C@H]1CC=CCC1 ZINC000820788271 606832876 /nfs/dbraw/zinc/83/28/76/606832876.db2.gz BXQPKOFOKJLDFQ-KBPBESRZSA-N -1 1 383.460 1.233 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NC[C@H]1CC=CCC1 ZINC000820788271 606832878 /nfs/dbraw/zinc/83/28/78/606832878.db2.gz BXQPKOFOKJLDFQ-KBPBESRZSA-N -1 1 383.460 1.233 20 0 GDADMM CCc1ccccc1NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821497417 606833420 /nfs/dbraw/zinc/83/34/20/606833420.db2.gz SAECUSSEJZKNGB-CYBMUJFWSA-N -1 1 393.455 1.962 20 0 GDADMM CCc1ccccc1NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821497417 606833422 /nfs/dbraw/zinc/83/34/22/606833422.db2.gz SAECUSSEJZKNGB-CYBMUJFWSA-N -1 1 393.455 1.962 20 0 GDADMM Cc1noc(C2CCN(S(=O)(=O)c3ccc(F)cc3-c3nn[n-]n3)CC2)n1 ZINC000822527894 606842765 /nfs/dbraw/zinc/84/27/65/606842765.db2.gz JACXYGMJMQUJED-UHFFFAOYSA-N -1 1 393.404 1.266 20 0 GDADMM C[C@H](C(=O)OC(C)(C)C)N(C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000819884225 606844411 /nfs/dbraw/zinc/84/44/11/606844411.db2.gz UTWGRGVTMHQLQA-SECBINFHSA-N -1 1 385.421 1.357 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCOC[C@H]1c1ccco1 ZINC000823605854 606844694 /nfs/dbraw/zinc/84/46/94/606844694.db2.gz BYVPYHQTCVHSDU-LBPRGKRZSA-N -1 1 379.373 1.361 20 0 GDADMM CC(C)CC1(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)CCC1 ZINC000820062204 606854331 /nfs/dbraw/zinc/85/43/31/606854331.db2.gz JQGSTGJKKIYZQU-AWEZNQCLSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CC1(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)CCC1 ZINC000820062204 606854332 /nfs/dbraw/zinc/85/43/32/606854332.db2.gz JQGSTGJKKIYZQU-AWEZNQCLSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C1(C(F)(F)F)CC1 ZINC000820777162 606855032 /nfs/dbraw/zinc/85/50/32/606855032.db2.gz QBHLLXJGNMNCMJ-SECBINFHSA-N -1 1 382.350 1.036 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C1(C(F)(F)F)CC1 ZINC000820777162 606855034 /nfs/dbraw/zinc/85/50/34/606855034.db2.gz QBHLLXJGNMNCMJ-SECBINFHSA-N -1 1 382.350 1.036 20 0 GDADMM C[C@H]1N(CC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)CCOC1(C)C ZINC000820819332 606931344 /nfs/dbraw/zinc/93/13/44/606931344.db2.gz HOSOWYINTTUBRM-CYBMUJFWSA-N -1 1 396.455 1.490 20 0 GDADMM C[C@H]1N(CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)CCOC1(C)C ZINC000820819332 606931346 /nfs/dbraw/zinc/93/13/46/606931346.db2.gz HOSOWYINTTUBRM-CYBMUJFWSA-N -1 1 396.455 1.490 20 0 GDADMM CC(C)c1nc(CN(C)[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)C2)no1 ZINC000820203883 606954398 /nfs/dbraw/zinc/95/43/98/606954398.db2.gz YRJLQDDNPIWHDE-CYBMUJFWSA-N -1 1 397.443 1.115 20 0 GDADMM CC(C)c1nc(CN(C)[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)C2)no1 ZINC000820203883 606954400 /nfs/dbraw/zinc/95/44/00/606954400.db2.gz YRJLQDDNPIWHDE-CYBMUJFWSA-N -1 1 397.443 1.115 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@H]2COc3ccc(C)cc32)cc1-c1nn[n-]n1 ZINC000821976607 606968040 /nfs/dbraw/zinc/96/80/40/606968040.db2.gz BWDSZSQDXUZYHX-LBPRGKRZSA-N -1 1 384.421 1.861 20 0 GDADMM CN(Cc1cc(Br)cn1C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821607455 606986780 /nfs/dbraw/zinc/98/67/80/606986780.db2.gz PIUKPULDVGLJAO-UHFFFAOYSA-N -1 1 376.218 1.635 20 0 GDADMM CN(Cc1cc(Br)cn1C)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821607455 606986781 /nfs/dbraw/zinc/98/67/81/606986781.db2.gz PIUKPULDVGLJAO-UHFFFAOYSA-N -1 1 376.218 1.635 20 0 GDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000822458641 606999158 /nfs/dbraw/zinc/99/91/58/606999158.db2.gz GYFIHHXQWHCGJT-UHFFFAOYSA-N -1 1 397.370 1.657 20 0 GDADMM Cc1cccc(NC(=O)CSCC(=O)Nc2ncc(-c3nnn[n-]3)s2)c1 ZINC000822324065 607024352 /nfs/dbraw/zinc/02/43/52/607024352.db2.gz UBFGHYQDDUAYTD-UHFFFAOYSA-N -1 1 389.466 1.942 20 0 GDADMM Cc1cccc(NC(=O)CSCC(=O)Nc2ncc(-c3nn[n-]n3)s2)c1 ZINC000822324065 607024353 /nfs/dbraw/zinc/02/43/53/607024353.db2.gz UBFGHYQDDUAYTD-UHFFFAOYSA-N -1 1 389.466 1.942 20 0 GDADMM CC(=O)[C@@H]1CC(C(=O)Nc2ncc(-c3nnn[n-]3)s2)=NN1c1ccccc1 ZINC000819782593 607024677 /nfs/dbraw/zinc/02/46/77/607024677.db2.gz OQCUVRHFWOJGHQ-LBPRGKRZSA-N -1 1 382.409 1.486 20 0 GDADMM CC(=O)[C@@H]1CC(C(=O)Nc2ncc(-c3nn[n-]n3)s2)=NN1c1ccccc1 ZINC000819782593 607024679 /nfs/dbraw/zinc/02/46/79/607024679.db2.gz OQCUVRHFWOJGHQ-LBPRGKRZSA-N -1 1 382.409 1.486 20 0 GDADMM CC(=O)[C@H]1CC(C(=O)Nc2ncc(-c3nnn[n-]3)s2)=NN1c1ccccc1 ZINC000819782591 607024950 /nfs/dbraw/zinc/02/49/50/607024950.db2.gz OQCUVRHFWOJGHQ-GFCCVEGCSA-N -1 1 382.409 1.486 20 0 GDADMM CC(=O)[C@H]1CC(C(=O)Nc2ncc(-c3nn[n-]n3)s2)=NN1c1ccccc1 ZINC000819782591 607024952 /nfs/dbraw/zinc/02/49/52/607024952.db2.gz OQCUVRHFWOJGHQ-GFCCVEGCSA-N -1 1 382.409 1.486 20 0 GDADMM CC(C)CNC(=O)N1CCC[C@@H](CC(=O)Nc2ncc(-c3nnn[n-]3)s2)C1 ZINC000820097708 607103043 /nfs/dbraw/zinc/10/30/43/607103043.db2.gz SIUZRQBIMAMVTC-NSHDSACASA-N -1 1 392.489 1.729 20 0 GDADMM CC(C)CNC(=O)N1CCC[C@@H](CC(=O)Nc2ncc(-c3nn[n-]n3)s2)C1 ZINC000820097708 607103044 /nfs/dbraw/zinc/10/30/44/607103044.db2.gz SIUZRQBIMAMVTC-NSHDSACASA-N -1 1 392.489 1.729 20 0 GDADMM CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000821020381 607104002 /nfs/dbraw/zinc/10/40/02/607104002.db2.gz BVZPWLGGHXTMIB-GFCCVEGCSA-N -1 1 385.453 1.789 20 0 GDADMM CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000821020381 607104003 /nfs/dbraw/zinc/10/40/03/607104003.db2.gz BVZPWLGGHXTMIB-GFCCVEGCSA-N -1 1 385.453 1.789 20 0 GDADMM COCCN(Cc1ccc(C)o1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821690718 607129180 /nfs/dbraw/zinc/12/91/80/607129180.db2.gz WYEPOABIDGGSOS-UHFFFAOYSA-N -1 1 395.416 1.745 20 0 GDADMM Cc1cc(Oc2ncccc2-c2nn[n-]n2)ccc1NC(=O)[C@@H]1CCNC(=O)C1 ZINC000822212031 607155427 /nfs/dbraw/zinc/15/54/27/607155427.db2.gz ZJQGIPWRPYTAKD-GFCCVEGCSA-N -1 1 393.407 1.827 20 0 GDADMM Cc1ccc(CO)cc1NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000822238617 607191776 /nfs/dbraw/zinc/19/17/76/607191776.db2.gz OHGXWYQZBJCBSL-UHFFFAOYSA-N -1 1 382.424 1.956 20 0 GDADMM CCOc1cccc2cc([C@H](C)NC(=O)Cn3cnc(-c4nn[n-]n4)n3)oc21 ZINC000821431581 607205869 /nfs/dbraw/zinc/20/58/69/607205869.db2.gz WLYBAQSWPCWJPZ-JTQLQIEISA-N -1 1 382.384 1.481 20 0 GDADMM Cc1nc(-c2ccc(CNC(=O)Cn3cnc(-c4nn[n-]n4)n3)s2)cs1 ZINC000822419977 607205984 /nfs/dbraw/zinc/20/59/84/607205984.db2.gz YBZRIEKFLKJIEK-UHFFFAOYSA-N -1 1 387.454 1.268 20 0 GDADMM CC(C)C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1nc2ccccc2[nH]1 ZINC000820055228 607206291 /nfs/dbraw/zinc/20/62/91/607206291.db2.gz GDAPRUDYFYBEHJ-ZDUSSCGKSA-N -1 1 380.416 1.238 20 0 GDADMM CC(C)c1ccc(OC2CCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)cc1 ZINC000820192371 607207649 /nfs/dbraw/zinc/20/76/49/607207649.db2.gz LGPPKVROYPJIOU-UHFFFAOYSA-N -1 1 396.455 1.652 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccccc1COCc1ccccc1 ZINC000823136231 607208258 /nfs/dbraw/zinc/20/82/58/607208258.db2.gz POONEPBZFQIAEN-UHFFFAOYSA-N -1 1 390.407 1.814 20 0 GDADMM Cc1nc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)sc1Cc1cccc(F)c1 ZINC000822449567 607208913 /nfs/dbraw/zinc/20/89/13/607208913.db2.gz DWBFGJXJINDUAG-UHFFFAOYSA-N -1 1 399.415 1.592 20 0 GDADMM Cc1cc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)ccc1NC(=O)c1ccco1 ZINC000822208436 607209654 /nfs/dbraw/zinc/20/96/54/607209654.db2.gz RHISDEAUHNWEAI-UHFFFAOYSA-N -1 1 393.367 1.251 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc2oc(C(F)(F)F)nc2c1 ZINC000823136201 607211825 /nfs/dbraw/zinc/21/18/25/607211825.db2.gz OHIPUKQWDQPFHH-UHFFFAOYSA-N -1 1 379.262 1.257 20 0 GDADMM CCOCCOc1ccc(Cl)cc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821384336 607213525 /nfs/dbraw/zinc/21/35/25/607213525.db2.gz VPUQDFWSODYFST-UHFFFAOYSA-N -1 1 392.807 1.166 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N[C@H]1CC2CCC1CC2 ZINC000820788969 607214149 /nfs/dbraw/zinc/21/41/49/607214149.db2.gz SKMMXRKLHCKPKW-PPWQZUPISA-N -1 1 397.487 1.456 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N[C@H]1CC2CCC1CC2 ZINC000820788969 607214150 /nfs/dbraw/zinc/21/41/50/607214150.db2.gz SKMMXRKLHCKPKW-PPWQZUPISA-N -1 1 397.487 1.456 20 0 GDADMM Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822242675 607217090 /nfs/dbraw/zinc/21/70/90/607217090.db2.gz UHJJUSOWPWKTQH-UHFFFAOYSA-N -1 1 383.416 1.390 20 0 GDADMM Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000822236446 607220355 /nfs/dbraw/zinc/22/03/55/607220355.db2.gz ZTJQSBOJNBEUTD-INIZCTEOSA-N -1 1 396.455 1.017 20 0 GDADMM O=C(OCc1ccc(OC2CCOCC2)nc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826465819 607779933 /nfs/dbraw/zinc/77/99/33/607779933.db2.gz DTMVURIJMKHDTP-UHFFFAOYSA-N -1 1 382.380 1.572 20 0 GDADMM O=C(OCc1ccc(OC2CCOCC2)nc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826465819 607779934 /nfs/dbraw/zinc/77/99/34/607779934.db2.gz DTMVURIJMKHDTP-UHFFFAOYSA-N -1 1 382.380 1.572 20 0 GDADMM Cc1cc(C(=O)n2ncc(-c3nn[n-]n3)c2N)nc(-c2ccc(Cl)cc2)n1 ZINC000826261468 607781029 /nfs/dbraw/zinc/78/10/29/607781029.db2.gz GKVSNOMRYGTTFG-UHFFFAOYSA-N -1 1 381.787 1.753 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)NC[C@@H](C)S(C)(=O)=O)c1-c1nn[n-]n1 ZINC000826231195 607826392 /nfs/dbraw/zinc/82/63/92/607826392.db2.gz BJAXNEMGRJEYCD-MRVPVSSYSA-N -1 1 396.498 1.024 20 0 GDADMM Cc1nc(N2CCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CC2)sc1C ZINC000826327172 607835123 /nfs/dbraw/zinc/83/51/23/607835123.db2.gz WFXRTWPTQGVANK-UHFFFAOYSA-N -1 1 388.461 1.028 20 0 GDADMM Cc1nc(N2CCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CC2)sc1C ZINC000826327172 607835124 /nfs/dbraw/zinc/83/51/24/607835124.db2.gz WFXRTWPTQGVANK-UHFFFAOYSA-N -1 1 388.461 1.028 20 0 GDADMM CCOC(=O)CN(C(=O)COc1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000825511994 607866024 /nfs/dbraw/zinc/86/60/24/607866024.db2.gz OFQGURTUCMDVLX-UHFFFAOYSA-N -1 1 399.382 1.981 20 0 GDADMM CCOC(=O)CN(C(=O)COc1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000825511994 607866025 /nfs/dbraw/zinc/86/60/25/607866025.db2.gz OFQGURTUCMDVLX-UHFFFAOYSA-N -1 1 399.382 1.981 20 0 GDADMM CN(C)C(=O)c1cccc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000825851313 607867571 /nfs/dbraw/zinc/86/75/71/607867571.db2.gz WCLLUZDQYIGDKD-UHFFFAOYSA-N -1 1 391.384 1.475 20 0 GDADMM CN(C)C(=O)c1cccc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000825851313 607867572 /nfs/dbraw/zinc/86/75/72/607867572.db2.gz WCLLUZDQYIGDKD-UHFFFAOYSA-N -1 1 391.384 1.475 20 0 GDADMM Cc1ccccc1[C@@H](OC[C@@H](O)Cn1cnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000826305669 607869303 /nfs/dbraw/zinc/86/93/03/607869303.db2.gz FAKQKBNKAUJYMU-WMZOPIPTSA-N -1 1 391.435 1.934 20 0 GDADMM CC[C@@]1(c2ccc(OC(=O)c3ccc(-c4nnn[n-]4)s3)cc2)NC(=O)NC1=O ZINC000825176401 607877045 /nfs/dbraw/zinc/87/70/45/607877045.db2.gz RYTVSQQHAOAZRD-KRWDZBQOSA-N -1 1 398.404 1.592 20 0 GDADMM CC[C@@]1(c2ccc(OC(=O)c3ccc(-c4nn[n-]n4)s3)cc2)NC(=O)NC1=O ZINC000825176401 607877046 /nfs/dbraw/zinc/87/70/46/607877046.db2.gz RYTVSQQHAOAZRD-KRWDZBQOSA-N -1 1 398.404 1.592 20 0 GDADMM O=S(=O)(c1ccc(Oc2cccc(-c3nnn[n-]3)n2)cc1)N1CCOCC1 ZINC000826495204 607895055 /nfs/dbraw/zinc/89/50/55/607895055.db2.gz HGDUIEMWDOZIBE-UHFFFAOYSA-N -1 1 388.409 1.075 20 0 GDADMM O=S(=O)(c1ccc(Oc2cccc(-c3nn[n-]n3)n2)cc1)N1CCOCC1 ZINC000826495204 607895056 /nfs/dbraw/zinc/89/50/56/607895056.db2.gz HGDUIEMWDOZIBE-UHFFFAOYSA-N -1 1 388.409 1.075 20 0 GDADMM CC[C@@H](NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C)[C@@H]1CCCO1 ZINC000825133561 607912285 /nfs/dbraw/zinc/91/22/85/607912285.db2.gz NTVKYMOVSIKFKG-CVEARBPZSA-N -1 1 398.471 1.533 20 0 GDADMM CC[C@@H](NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C)[C@@H]1CCCO1 ZINC000825133561 607912286 /nfs/dbraw/zinc/91/22/86/607912286.db2.gz NTVKYMOVSIKFKG-CVEARBPZSA-N -1 1 398.471 1.533 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCc2c(F)cccc2C1 ZINC000826495456 607939353 /nfs/dbraw/zinc/93/93/53/607939353.db2.gz PMRXYRANSYWFBV-UHFFFAOYSA-N -1 1 377.376 1.892 20 0 GDADMM COc1ccc(C[C@@H](C)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000826191289 607974154 /nfs/dbraw/zinc/97/41/54/607974154.db2.gz BZLORUGTHAGWOZ-GFCCVEGCSA-N -1 1 388.453 1.427 20 0 GDADMM COc1ccc(C[C@@H](C)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000826191289 607974155 /nfs/dbraw/zinc/97/41/55/607974155.db2.gz BZLORUGTHAGWOZ-GFCCVEGCSA-N -1 1 388.453 1.427 20 0 GDADMM Cc1nnnn1[C@H](Cc1ccccc1)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826337880 607996781 /nfs/dbraw/zinc/99/67/81/607996781.db2.gz DACXTVNOBROOKK-OAHLLOKOSA-N -1 1 391.395 1.290 20 0 GDADMM CN1C(=O)C[C@H](C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])[C@@H]1c1cccnc1 ZINC000826010041 607997489 /nfs/dbraw/zinc/99/74/89/607997489.db2.gz BFPWFOVFFCIUGU-LRDDRELGSA-N -1 1 379.380 1.125 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cc(Cl)ccc1-n1cnnn1 ZINC000826450785 607998840 /nfs/dbraw/zinc/99/88/40/607998840.db2.gz DGTFVHQXJKUELV-UHFFFAOYSA-N -1 1 383.759 1.454 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1nnn(C2CC2)c1C(F)(F)F ZINC000826451738 607998968 /nfs/dbraw/zinc/99/89/68/607998968.db2.gz UMQZPPIPYBSCCF-UHFFFAOYSA-N -1 1 380.290 1.770 20 0 GDADMM CC[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C[C@@H]1O ZINC000825212543 608025545 /nfs/dbraw/zinc/02/55/45/608025545.db2.gz SBPPIAAGYQSNBW-KWQFWETISA-N -1 1 391.375 1.277 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1nc2ccccn2n1 ZINC000826232640 608091432 /nfs/dbraw/zinc/09/14/32/608091432.db2.gz BEHAPZCKKYRXAG-UHFFFAOYSA-N -1 1 379.384 1.198 20 0 GDADMM O=C(c1ccc2[nH]cnc2c1)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000826473745 608098168 /nfs/dbraw/zinc/09/81/68/608098168.db2.gz MDRHIECHSHNWTF-UHFFFAOYSA-N -1 1 375.396 1.100 20 0 GDADMM CN1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000826029334 608121213 /nfs/dbraw/zinc/12/12/13/608121213.db2.gz RDFZHTBAFBGQKQ-HOCLYGCPSA-N -1 1 385.378 1.715 20 0 GDADMM C[C@@]1(NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCO[C@@H]1C1CC1 ZINC000824838243 608128003 /nfs/dbraw/zinc/12/80/03/608128003.db2.gz NNEDXXNESHMKPO-UKRRQHHQSA-N -1 1 383.861 1.756 20 0 GDADMM C[C@@]1(NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCO[C@@H]1C1CC1 ZINC000824838243 608128004 /nfs/dbraw/zinc/12/80/04/608128004.db2.gz NNEDXXNESHMKPO-UKRRQHHQSA-N -1 1 383.861 1.756 20 0 GDADMM C[C@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CC(C)(C)C1 ZINC000824970845 608142544 /nfs/dbraw/zinc/14/25/44/608142544.db2.gz YERPUTSLFSSLDC-LLVKDONJSA-N -1 1 388.476 1.651 20 0 GDADMM C[C@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CC(C)(C)C1 ZINC000824970845 608142545 /nfs/dbraw/zinc/14/25/45/608142545.db2.gz YERPUTSLFSSLDC-LLVKDONJSA-N -1 1 388.476 1.651 20 0 GDADMM Cc1nsc(N2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)n1 ZINC000826340104 608175888 /nfs/dbraw/zinc/17/58/88/608175888.db2.gz HRTZENOTUGYUGG-UHFFFAOYSA-N -1 1 385.413 1.601 20 0 GDADMM CC(C)OCCOC[C@H](O)CN(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC000824315154 608178448 /nfs/dbraw/zinc/17/84/48/608178448.db2.gz LZDRDLJBVVATEH-SECBINFHSA-N -1 1 376.870 1.215 20 0 GDADMM CC(C)OCCOC[C@H](O)CN(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC000824315154 608178450 /nfs/dbraw/zinc/17/84/50/608178450.db2.gz LZDRDLJBVVATEH-SECBINFHSA-N -1 1 376.870 1.215 20 0 GDADMM CCN(CCC(=O)OC)C(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000825419717 608194036 /nfs/dbraw/zinc/19/40/36/608194036.db2.gz TWLGMSUAOGFJLS-UHFFFAOYSA-N -1 1 390.469 1.886 20 0 GDADMM C[C@@H](Oc1cccc(F)c1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824744637 608211072 /nfs/dbraw/zinc/21/10/72/608211072.db2.gz CPLXWJRUFOTSOO-SNVBAGLBSA-N -1 1 388.407 1.170 20 0 GDADMM C[C@@H](Oc1cccc(F)c1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824744637 608211073 /nfs/dbraw/zinc/21/10/73/608211073.db2.gz CPLXWJRUFOTSOO-SNVBAGLBSA-N -1 1 388.407 1.170 20 0 GDADMM Cc1cc(C)cc(OCCC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000826264847 608212016 /nfs/dbraw/zinc/21/20/16/608212016.db2.gz BZSNHWVKYPEYNX-UHFFFAOYSA-N -1 1 398.471 1.649 20 0 GDADMM Cc1cc(C)cc(OCCC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000826264847 608212019 /nfs/dbraw/zinc/21/20/19/608212019.db2.gz BZSNHWVKYPEYNX-UHFFFAOYSA-N -1 1 398.471 1.649 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)c2csc(S(C)(=O)=O)c2)n1 ZINC000824147154 608308626 /nfs/dbraw/zinc/30/86/26/608308626.db2.gz AJEFBPIFERXCBV-UHFFFAOYSA-N -1 1 395.470 1.536 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2csc(S(C)(=O)=O)c2)n1 ZINC000824147154 608308628 /nfs/dbraw/zinc/30/86/28/608308628.db2.gz AJEFBPIFERXCBV-UHFFFAOYSA-N -1 1 395.470 1.536 20 0 GDADMM COC(=O)[C@]1(F)CCN(Cc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)C1 ZINC000826124966 608314119 /nfs/dbraw/zinc/31/41/19/608314119.db2.gz YXRZQONLEOKUNW-SFHVURJKSA-N -1 1 385.403 1.448 20 0 GDADMM CCOC(=O)[C@@H]1CN(Cc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)CCO1 ZINC000825499157 608314202 /nfs/dbraw/zinc/31/42/02/608314202.db2.gz HQFHQAHEOPGBIA-INIZCTEOSA-N -1 1 397.439 1.125 20 0 GDADMM C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000824487734 608316216 /nfs/dbraw/zinc/31/62/16/608316216.db2.gz CEUUVGZEFGNQFZ-ZJUUUORDSA-N -1 1 394.361 1.785 20 0 GDADMM CCCCC[C@H]([N-]S(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F)C(=O)OC ZINC000825268331 608337597 /nfs/dbraw/zinc/33/75/97/608337597.db2.gz SMPRGVXZCMVVFN-AWEZNQCLSA-N -1 1 399.448 1.547 20 0 GDADMM COC[C@H]([N-]S(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F)c1ccc(C)o1 ZINC000826151042 608338137 /nfs/dbraw/zinc/33/81/37/608338137.db2.gz RUXOCOQPFIUCLO-AWEZNQCLSA-N -1 1 395.416 1.714 20 0 GDADMM C[C@H]1CCC[C@H](N(C)C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000824927808 608341206 /nfs/dbraw/zinc/34/12/06/608341206.db2.gz QIEAGPMILQJJHY-RYUDHWBXSA-N -1 1 388.476 1.794 20 0 GDADMM C[C@H]1CCC[C@H](N(C)C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000824927808 608341208 /nfs/dbraw/zinc/34/12/08/608341208.db2.gz QIEAGPMILQJJHY-RYUDHWBXSA-N -1 1 388.476 1.794 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC(O)(C(F)(F)F)CC1 ZINC000826496403 608343454 /nfs/dbraw/zinc/34/34/54/608343454.db2.gz VDRUCDUGZDMFLA-UHFFFAOYSA-N -1 1 395.338 1.084 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC(O)(C(F)(F)F)CC1 ZINC000826496403 608343455 /nfs/dbraw/zinc/34/34/55/608343455.db2.gz VDRUCDUGZDMFLA-UHFFFAOYSA-N -1 1 395.338 1.084 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N[C@H]2C[C@H]2c2ccccc2)n1 ZINC000824142894 608351068 /nfs/dbraw/zinc/35/10/68/608351068.db2.gz ZKISMPQBWPWOFE-JSGCOSHPSA-N -1 1 394.439 1.429 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N[C@H]2C[C@H]2c2ccccc2)n1 ZINC000824142894 608351070 /nfs/dbraw/zinc/35/10/70/608351070.db2.gz ZKISMPQBWPWOFE-JSGCOSHPSA-N -1 1 394.439 1.429 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N2CCC[C@@H]2c2ccco2)n1 ZINC000824141026 608352634 /nfs/dbraw/zinc/35/26/34/608352634.db2.gz ALHMDBZRBVQGTL-GFCCVEGCSA-N -1 1 398.427 1.713 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N2CCC[C@@H]2c2ccco2)n1 ZINC000824141026 608352636 /nfs/dbraw/zinc/35/26/36/608352636.db2.gz ALHMDBZRBVQGTL-GFCCVEGCSA-N -1 1 398.427 1.713 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N2CCC[C@H]2c2ccco2)n1 ZINC000824141027 608353011 /nfs/dbraw/zinc/35/30/11/608353011.db2.gz ALHMDBZRBVQGTL-LBPRGKRZSA-N -1 1 398.427 1.713 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N2CCC[C@H]2c2ccco2)n1 ZINC000824141027 608353013 /nfs/dbraw/zinc/35/30/13/608353013.db2.gz ALHMDBZRBVQGTL-LBPRGKRZSA-N -1 1 398.427 1.713 20 0 GDADMM C[C@@H]1CC(NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C[C@@H](C)C1 ZINC000824875294 608354807 /nfs/dbraw/zinc/35/48/07/608354807.db2.gz KXKVSKQYETXVMU-QWRGUYRKSA-N -1 1 388.476 1.698 20 0 GDADMM C[C@@H]1CC(NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C[C@@H](C)C1 ZINC000824875294 608354810 /nfs/dbraw/zinc/35/48/10/608354810.db2.gz KXKVSKQYETXVMU-QWRGUYRKSA-N -1 1 388.476 1.698 20 0 GDADMM Cc1ccc(CNC(=O)C2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)cc1F ZINC000826288221 608400755 /nfs/dbraw/zinc/40/07/55/608400755.db2.gz WGDHEVBMGBHJRA-UHFFFAOYSA-N -1 1 396.430 1.637 20 0 GDADMM Cc1ccc(CNC(=O)C2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)cc1F ZINC000826288221 608400756 /nfs/dbraw/zinc/40/07/56/608400756.db2.gz WGDHEVBMGBHJRA-UHFFFAOYSA-N -1 1 396.430 1.637 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC(CCC(N)=O)CC1 ZINC000826341032 608477260 /nfs/dbraw/zinc/47/72/60/608477260.db2.gz UHCCRNBGRRNEJF-UHFFFAOYSA-N -1 1 397.439 1.677 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC(CCC(N)=O)CC1 ZINC000826341032 608477261 /nfs/dbraw/zinc/47/72/61/608477261.db2.gz UHCCRNBGRRNEJF-UHFFFAOYSA-N -1 1 397.439 1.677 20 0 GDADMM Cc1nncn1-c1cccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)c1 ZINC000826256122 608491630 /nfs/dbraw/zinc/49/16/30/608491630.db2.gz VXJBUDBDJNXXRZ-UHFFFAOYSA-N -1 1 396.436 1.865 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)c2cc(S(C)(=O)=O)cs2)n1 ZINC000824148106 608493776 /nfs/dbraw/zinc/49/37/76/608493776.db2.gz MRGCSCUTSGPEJG-UHFFFAOYSA-N -1 1 395.470 1.536 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2cc(S(C)(=O)=O)cs2)n1 ZINC000824148106 608493778 /nfs/dbraw/zinc/49/37/78/608493778.db2.gz MRGCSCUTSGPEJG-UHFFFAOYSA-N -1 1 395.470 1.536 20 0 GDADMM O=c1[nH]c(CN2CCN(Cc3ccc(-c4nnn[n-]4)o3)CC2)nc2ccccc12 ZINC000826500554 608511468 /nfs/dbraw/zinc/51/14/68/608511468.db2.gz BUERQLJAEHVAKW-UHFFFAOYSA-N -1 1 392.423 1.426 20 0 GDADMM O=c1[nH]c(CN2CCN(Cc3ccc(-c4nn[n-]n4)o3)CC2)nc2ccccc12 ZINC000826500554 608511469 /nfs/dbraw/zinc/51/14/69/608511469.db2.gz BUERQLJAEHVAKW-UHFFFAOYSA-N -1 1 392.423 1.426 20 0 GDADMM CC(C)c1nc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cs1 ZINC000824358152 608556217 /nfs/dbraw/zinc/55/62/17/608556217.db2.gz AFVFFPSKCLANBZ-UHFFFAOYSA-N -1 1 375.462 1.457 20 0 GDADMM CC(C)c1nc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cs1 ZINC000824358152 608556219 /nfs/dbraw/zinc/55/62/19/608556219.db2.gz AFVFFPSKCLANBZ-UHFFFAOYSA-N -1 1 375.462 1.457 20 0 GDADMM C[C@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1c(F)cccc1F ZINC000824039340 608557422 /nfs/dbraw/zinc/55/74/22/608557422.db2.gz DHQCKYKEMSHBDK-VIFPVBQESA-N -1 1 390.398 1.645 20 0 GDADMM C[C@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1c(F)cccc1F ZINC000824039340 608557423 /nfs/dbraw/zinc/55/74/23/608557423.db2.gz DHQCKYKEMSHBDK-VIFPVBQESA-N -1 1 390.398 1.645 20 0 GDADMM CCc1ccc([C@@H](C)C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000825704229 608557855 /nfs/dbraw/zinc/55/78/55/608557855.db2.gz DUROURFUORZJDM-GFCCVEGCSA-N -1 1 382.472 1.929 20 0 GDADMM CCc1ccc([C@@H](C)C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000825704229 608557856 /nfs/dbraw/zinc/55/78/56/608557856.db2.gz DUROURFUORZJDM-GFCCVEGCSA-N -1 1 382.472 1.929 20 0 GDADMM Cc1noc(C(F)(F)F)c1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826337988 608558418 /nfs/dbraw/zinc/55/84/18/608558418.db2.gz HVGCTLYNJYVAJI-UHFFFAOYSA-N -1 1 399.337 1.192 20 0 GDADMM Cc1noc(C(F)(F)F)c1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826337988 608558420 /nfs/dbraw/zinc/55/84/20/608558420.db2.gz HVGCTLYNJYVAJI-UHFFFAOYSA-N -1 1 399.337 1.192 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCC(c2cccnc2)CC1 ZINC000826495734 608563349 /nfs/dbraw/zinc/56/33/49/608563349.db2.gz ZLAPFKZNYVUSMA-UHFFFAOYSA-N -1 1 388.428 1.969 20 0 GDADMM O=S(=O)(NCCSCC(F)(F)F)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826491550 608757567 /nfs/dbraw/zinc/75/75/67/608757567.db2.gz OUSBMZFSNAMYLZ-UHFFFAOYSA-N -1 1 385.368 1.580 20 0 GDADMM CCc1cccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1O ZINC000825716867 608808457 /nfs/dbraw/zinc/80/84/57/608808457.db2.gz BVMYQGMVRJRILD-LBPRGKRZSA-N -1 1 394.439 1.276 20 0 GDADMM CCc1cccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1O ZINC000825716867 608808460 /nfs/dbraw/zinc/80/84/60/608808460.db2.gz BVMYQGMVRJRILD-LBPRGKRZSA-N -1 1 394.439 1.276 20 0 GDADMM C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C[C@H](C)O1 ZINC000736286331 609179637 /nfs/dbraw/zinc/17/96/37/609179637.db2.gz BQVRFCVWAQFKBN-DTORHVGOSA-N -1 1 391.375 1.683 20 0 GDADMM Cn1c(CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)nnc1C1CC1 ZINC000826355178 609279603 /nfs/dbraw/zinc/27/96/03/609279603.db2.gz NLBLHEAEVVTPAO-UHFFFAOYSA-N -1 1 380.391 1.810 20 0 GDADMM C[C@@H]1CCCN(C(=O)CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1 ZINC000824936864 609279797 /nfs/dbraw/zinc/27/97/97/609279797.db2.gz MOWVZTYLUZPGQH-GFCCVEGCSA-N -1 1 384.419 1.862 20 0 GDADMM COCCc1noc(CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)n1 ZINC000826163378 609280750 /nfs/dbraw/zinc/28/07/50/609280750.db2.gz RQELVDSVYZCKLR-UHFFFAOYSA-N -1 1 385.363 1.376 20 0 GDADMM O=C(COC[C@H]1CCCO1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826416680 609289422 /nfs/dbraw/zinc/28/94/22/609289422.db2.gz KKLOLOSNHOFGGM-LLVKDONJSA-N -1 1 387.375 1.326 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C1SCCS1 ZINC000826458442 609291726 /nfs/dbraw/zinc/29/17/26/609291726.db2.gz QCWVXRWPJUOSKV-UHFFFAOYSA-N -1 1 377.430 1.936 20 0 GDADMM O=C([C@@H]1CCC=CO1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000826399370 609297315 /nfs/dbraw/zinc/29/73/15/609297315.db2.gz UGJUXFOKOJZRRQ-ZDUSSCGKSA-N -1 1 397.395 1.456 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N(Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC000826472725 609301736 /nfs/dbraw/zinc/30/17/36/609301736.db2.gz VIJFAZTUSNYXSU-CQSZACIVSA-N -1 1 392.341 1.827 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N(Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC000826472725 609301738 /nfs/dbraw/zinc/30/17/38/609301738.db2.gz VIJFAZTUSNYXSU-CQSZACIVSA-N -1 1 392.341 1.827 20 0 GDADMM CS[C@@H]1CCC[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1 ZINC000826227116 609302688 /nfs/dbraw/zinc/30/26/88/609302688.db2.gz LYQJMCFXKHHSCF-WDEREUQCSA-N -1 1 393.521 1.420 20 0 GDADMM CS[C@@H]1CCC[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C1 ZINC000826227116 609302690 /nfs/dbraw/zinc/30/26/90/609302690.db2.gz LYQJMCFXKHHSCF-WDEREUQCSA-N -1 1 393.521 1.420 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NC1CCC(C)(C)CC1 ZINC000825930390 609304785 /nfs/dbraw/zinc/30/47/85/609304785.db2.gz VNVMBAYTZCSKRN-UHFFFAOYSA-N -1 1 375.481 1.715 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NC1CCC(C)(C)CC1 ZINC000825930390 609304787 /nfs/dbraw/zinc/30/47/87/609304787.db2.gz VNVMBAYTZCSKRN-UHFFFAOYSA-N -1 1 375.481 1.715 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@@H](c1cccnc1)C1CC1 ZINC000825929862 609309770 /nfs/dbraw/zinc/30/97/70/609309770.db2.gz MSJOLCAHPAOYPY-OAHLLOKOSA-N -1 1 396.459 1.292 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@@H](c1cccnc1)C1CC1 ZINC000825929862 609309772 /nfs/dbraw/zinc/30/97/72/609309772.db2.gz MSJOLCAHPAOYPY-OAHLLOKOSA-N -1 1 396.459 1.292 20 0 GDADMM CC(C)[C@@H](C)NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824192415 609352847 /nfs/dbraw/zinc/35/28/47/609352847.db2.gz JMBWPZFQNRXSTK-SNVBAGLBSA-N -1 1 386.391 1.291 20 0 GDADMM O=C(NCc1ccoc1)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826443322 609356858 /nfs/dbraw/zinc/35/68/58/609356858.db2.gz KCVLNJPNJGDYRN-UHFFFAOYSA-N -1 1 396.342 1.039 20 0 GDADMM COC[C@@H]1CCN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1 ZINC000826153633 609364341 /nfs/dbraw/zinc/36/43/41/609364341.db2.gz VNLQVXNEFXNWDI-LLVKDONJSA-N -1 1 386.391 1.692 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N[C@H](CCO)C1CC1 ZINC000826458364 609364807 /nfs/dbraw/zinc/36/48/07/609364807.db2.gz MYQOFFOBFYANDX-GFCCVEGCSA-N -1 1 386.391 1.474 20 0 GDADMM C[C@H]1C[C@H](C)N(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1 ZINC000824874278 609366239 /nfs/dbraw/zinc/36/62/39/609366239.db2.gz BQFZKGAEHQIAAY-QWRGUYRKSA-N -1 1 398.402 1.387 20 0 GDADMM CC[C@H]1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1 ZINC000825204126 609367360 /nfs/dbraw/zinc/36/73/60/609367360.db2.gz PWKZZLIJIHYRHU-NSHDSACASA-N -1 1 398.402 1.389 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CCC[C@@H]2[C@H]2CCCC2=O)cc1-c1nn[n-]n1 ZINC000826229347 609395002 /nfs/dbraw/zinc/39/50/02/609395002.db2.gz AQYYMVRMMHVPGW-BXKDBHETSA-N -1 1 388.453 1.663 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCC2(Cc3ccccc3)CCCC2)n(C)c1=O ZINC000826356069 609429918 /nfs/dbraw/zinc/42/99/18/609429918.db2.gz YZLXIQUOEXOTPI-UHFFFAOYSA-N -1 1 395.467 1.479 20 0 GDADMM Cc1ccc2oc(SCc3cc(=O)n4ncc(-c5nn[n-]n5)c4[nH]3)nc2n1 ZINC000826295767 609492359 /nfs/dbraw/zinc/49/23/59/609492359.db2.gz WZXHVHDYARNKHZ-UHFFFAOYSA-N -1 1 381.381 1.752 20 0 GDADMM CCCCCN(CC(N)=O)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825271924 609579087 /nfs/dbraw/zinc/57/90/87/609579087.db2.gz QQEDPKGBIXZJLS-UHFFFAOYSA-N -1 1 386.865 1.186 20 0 GDADMM C[C@H]1CC(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)C[C@H](C)C1 ZINC000824876819 609592350 /nfs/dbraw/zinc/59/23/50/609592350.db2.gz UKMCVBKAZMCOAF-MCIONIFRSA-N -1 1 384.488 1.766 20 0 GDADMM C[C@H]1CC(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)C[C@H](C)C1 ZINC000824876819 609592354 /nfs/dbraw/zinc/59/23/54/609592354.db2.gz UKMCVBKAZMCOAF-MCIONIFRSA-N -1 1 384.488 1.766 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@@H]21 ZINC000824109664 609602028 /nfs/dbraw/zinc/60/20/28/609602028.db2.gz VJQJPRLCYHFACD-FRRDWIJNSA-N -1 1 386.460 1.786 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@@H]21 ZINC000824109664 609602031 /nfs/dbraw/zinc/60/20/31/609602031.db2.gz VJQJPRLCYHFACD-FRRDWIJNSA-N -1 1 386.460 1.786 20 0 GDADMM CS(=O)(=O)CCc1ccc([N-]S(=O)(=O)c2ccc(C(N)=O)cc2)cc1 ZINC000533327365 650048244 /nfs/dbraw/zinc/04/82/44/650048244.db2.gz RSRVJVZYZCKTSD-UHFFFAOYSA-N -1 1 382.463 1.173 20 0 GDADMM COC(=O)C1CCC([N-]S(=O)(=O)c2nc(C)c(C)s2)(C(=O)OC)CC1 ZINC000536705272 650278817 /nfs/dbraw/zinc/27/88/17/650278817.db2.gz QKDPJRFZTTYMKF-UHFFFAOYSA-N -1 1 390.483 1.313 20 0 GDADMM O=C(CCOCC(F)(F)F)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000537778427 650301656 /nfs/dbraw/zinc/30/16/56/650301656.db2.gz DEGVFQZRKDSIEK-UHFFFAOYSA-N -1 1 382.360 1.740 20 0 GDADMM Cc1noc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)n1 ZINC000539234764 650331465 /nfs/dbraw/zinc/33/14/65/650331465.db2.gz SYMCBZBQYRHPJJ-QMMMGPOBSA-N -1 1 393.874 1.616 20 0 GDADMM CC[C@H]1c2ccsc2CCN1C(=O)CS(=O)(=O)c1nnc(COC)[n-]1 ZINC000539549761 650337337 /nfs/dbraw/zinc/33/73/37/650337337.db2.gz VGMSREPXZGQVHA-NSHDSACASA-N -1 1 384.483 1.322 20 0 GDADMM CC[C@H]1c2ccsc2CCN1C(=O)CS(=O)(=O)c1n[n-]c(COC)n1 ZINC000539549761 650337342 /nfs/dbraw/zinc/33/73/42/650337342.db2.gz VGMSREPXZGQVHA-NSHDSACASA-N -1 1 384.483 1.322 20 0 GDADMM O=C(NCCOCc1ccc(Cl)cc1Cl)c1cc(=O)n2[n-]cnc2n1 ZINC000544786325 650445513 /nfs/dbraw/zinc/44/55/13/650445513.db2.gz YHURTEXJCZCXAD-UHFFFAOYSA-N -1 1 382.207 1.671 20 0 GDADMM Cc1nnc2n1C[C@@H](C[N-]S(=O)(=O)c1ccc(Br)o1)CC2 ZINC000545361993 650455146 /nfs/dbraw/zinc/45/51/46/650455146.db2.gz GLGWMUUJBANPEK-SECBINFHSA-N -1 1 375.248 1.483 20 0 GDADMM CCc1cc(C(=O)NCC[N-]S(=O)(=O)c2sc(=O)[nH]c2C)sc1C ZINC000545957463 650467093 /nfs/dbraw/zinc/46/70/93/650467093.db2.gz WTKHEZDITGOAKG-UHFFFAOYSA-N -1 1 389.524 1.798 20 0 GDADMM Cc1cc(Br)cc(C)c1CNC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000546086297 650470330 /nfs/dbraw/zinc/47/03/30/650470330.db2.gz AXFRKVVPNGHFKV-UHFFFAOYSA-N -1 1 376.214 1.727 20 0 GDADMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)c1cccc2[nH]ccc21 ZINC000546664006 650482946 /nfs/dbraw/zinc/48/29/46/650482946.db2.gz USKZTUFNRMODQV-UHFFFAOYSA-N -1 1 380.451 1.347 20 0 GDADMM Cc1nc(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)no1 ZINC000547966407 650525851 /nfs/dbraw/zinc/52/58/51/650525851.db2.gz HTWKGKHMRWWCEB-NSHDSACASA-N -1 1 387.845 1.925 20 0 GDADMM COCC[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000549408695 650576707 /nfs/dbraw/zinc/57/67/07/650576707.db2.gz QFZDUNCHGHCJRB-JTQLQIEISA-N -1 1 381.376 1.958 20 0 GDADMM CS(=O)(=O)c1ccc(CS(=O)(=O)c2nc(Cc3cccs3)n[n-]2)cc1 ZINC000551232116 650602267 /nfs/dbraw/zinc/60/22/67/650602267.db2.gz YBFIUPGGWNBBSF-UHFFFAOYSA-N -1 1 397.503 1.834 20 0 GDADMM CS(=O)(=O)c1ccc(CS(=O)(=O)c2nnc(Cc3cccs3)[n-]2)cc1 ZINC000551232116 650602269 /nfs/dbraw/zinc/60/22/69/650602269.db2.gz YBFIUPGGWNBBSF-UHFFFAOYSA-N -1 1 397.503 1.834 20 0 GDADMM CS(=O)(=O)c1ccc(CS(=O)(=O)c2n[n-]c(Cc3cccs3)n2)cc1 ZINC000551232116 650602272 /nfs/dbraw/zinc/60/22/72/650602272.db2.gz YBFIUPGGWNBBSF-UHFFFAOYSA-N -1 1 397.503 1.834 20 0 GDADMM CC(C)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)C(=O)N1CCOCC1 ZINC000551516574 650608736 /nfs/dbraw/zinc/60/87/36/650608736.db2.gz OHJYOSZUOAZRJW-CQSZACIVSA-N -1 1 378.853 1.641 20 0 GDADMM CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000551999977 650617381 /nfs/dbraw/zinc/61/73/81/650617381.db2.gz BYYQWGWCGHBLJS-KGLIPLIRSA-N -1 1 386.495 1.819 20 0 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/nfs/dbraw/zinc/05/36/40/660053640.db2.gz SRNZTOJXJWZSNW-GOSISDBHSA-N -1 1 382.223 1.454 20 0 GDADMM O=C([C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913494152 660082729 /nfs/dbraw/zinc/08/27/29/660082729.db2.gz TZQQBPQZBWPDJA-YIYPIFLZSA-N -1 1 390.241 1.448 20 0 GDADMM O=C([C@H]1CCOc2ccc(Br)cc21)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913500585 660084454 /nfs/dbraw/zinc/08/44/54/660084454.db2.gz ZWMHHIFDVFCQOV-CMPLNLGQSA-N -1 1 394.229 1.428 20 0 GDADMM CC(C)(C)n1cc(Br)c(C(=O)N2CCC(c3nn[n-]n3)CC2)n1 ZINC000913745805 660095172 /nfs/dbraw/zinc/09/51/72/660095172.db2.gz OVKMGEXCQLJXIB-UHFFFAOYSA-N -1 1 382.266 1.934 20 0 GDADMM COc1nn2cc(Br)cnc2c1S(=O)(=O)[N-][C@@H]1CC=CCC1 ZINC000914131321 660118663 /nfs/dbraw/zinc/11/86/63/660118663.db2.gz DFYMAIPOJXJMHD-SNVBAGLBSA-N -1 1 387.259 1.887 20 0 GDADMM O=C([O-])[C@H](NC(=O)CCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1 ZINC000902860599 939290927 /nfs/dbraw/zinc/29/09/27/939290927.db2.gz VPMQXCDELZRGGQ-LJQANCHMSA-N -1 1 386.427 1.675 20 0 GDADMM C[C@@H]1CN(Cc2ccc(CNC(=O)N[C@@H](C(=O)[O-])C3CC3)cc2)C[C@H](C)O1 ZINC000908779229 939320058 /nfs/dbraw/zinc/32/00/58/939320058.db2.gz GVFXZBCBMITPNL-QWQRMKEZSA-N -1 1 375.469 1.958 20 0 GDADMM CN1CCN(C)[C@H](CNC(=O)N[C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)C1 ZINC000908989480 939367348 /nfs/dbraw/zinc/36/73/48/939367348.db2.gz ZUOYWDSKEFWNSP-KGLIPLIRSA-N -1 1 388.390 1.376 20 0 GDADMM C[C@H](CN1CCOCC1)C(=O)N[C@@H](C(=O)[O-])c1ccccc1OC(F)(F)F ZINC000910939037 939762135 /nfs/dbraw/zinc/76/21/35/939762135.db2.gz AIFLBGLZJBGLJV-BXUZGUMPSA-N -1 1 390.358 1.795 20 0 GDADMM O=C([O-])[C@@]1(NC(=O)N[C@@H]2CCCN3CCSC[C@H]23)CCc2ccccc21 ZINC000929062907 939808540 /nfs/dbraw/zinc/80/85/40/939808540.db2.gz CRIUTJNUBMJOBE-GPMSIDNRSA-N -1 1 375.494 1.792 20 0 GDADMM O=C([O-])[C@@H](NC(=O)N[C@@H]1CCCN2CCSC[C@H]12)c1cc(F)ccc1F ZINC000929063143 939809395 /nfs/dbraw/zinc/80/93/95/939809395.db2.gz GWSWNTBUILOWAX-KFWWJZLASA-N -1 1 385.436 1.970 20 0 GDADMM O=C([O-])C1CCN(C(=O)c2cccc(I)c2O)CC1 ZINC001611382351 971022503 /nfs/dbraw/zinc/02/25/03/971022503.db2.gz UEWKHCDXOFEJTB-UHFFFAOYSA-N -1 1 375.162 1.934 20 0 GDADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cccc(-c4nn[nH]n4)c3)cc2C[C@@H]1C ZINC000539803505 944636242 /nfs/dbraw/zinc/63/62/42/944636242.db2.gz QISZWPUMZPGQBE-NSHDSACASA-N -1 1 398.448 1.965 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571261237 945424652 /nfs/dbraw/zinc/42/46/52/945424652.db2.gz BVVLVJCKWUCUJM-AOOOYVTPSA-N -1 1 385.457 1.610 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571261237 945424657 /nfs/dbraw/zinc/42/46/57/945424657.db2.gz BVVLVJCKWUCUJM-AOOOYVTPSA-N -1 1 385.457 1.610 20 0 GDADMM CCc1ncsc1C(=O)NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571261224 945425318 /nfs/dbraw/zinc/42/53/18/945425318.db2.gz BUGQBQKOFUHKSB-SNVBAGLBSA-N -1 1 385.457 1.074 20 0 GDADMM CCc1ncsc1C(=O)NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571261224 945425324 /nfs/dbraw/zinc/42/53/24/945425324.db2.gz BUGQBQKOFUHKSB-SNVBAGLBSA-N -1 1 385.457 1.074 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](NC(=O)c3nccs3)[C@H]2C)n1 ZINC001571261658 945429655 /nfs/dbraw/zinc/42/96/55/945429655.db2.gz HXMRKGAIQLOQML-MNOVXSKESA-N -1 1 385.457 1.209 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](NC(=O)c3nccs3)[C@H]2C)n1 ZINC001571261658 945429659 /nfs/dbraw/zinc/42/96/59/945429659.db2.gz HXMRKGAIQLOQML-MNOVXSKESA-N -1 1 385.457 1.209 20 0 GDADMM C[C@H]1CN(C(=O)c2ccns2)CC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571261703 945431529 /nfs/dbraw/zinc/43/15/29/945431529.db2.gz IVQDGQNIFLBOIQ-QWRGUYRKSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H]1CN(C(=O)c2ccns2)CC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571261703 945431534 /nfs/dbraw/zinc/43/15/34/945431534.db2.gz IVQDGQNIFLBOIQ-QWRGUYRKSA-N -1 1 385.457 1.324 20 0 GDADMM CCc1nc(N[C@H]2CCN(C(=O)c3cc(C)sn3)C2)cc(-c2nnn[n-]2)n1 ZINC001571262312 945434702 /nfs/dbraw/zinc/43/47/02/945434702.db2.gz ONMMBWWRXQWQQP-JTQLQIEISA-N -1 1 385.457 1.311 20 0 GDADMM CCc1nc(N[C@H]2CCN(C(=O)c3cc(C)sn3)C2)cc(-c2nn[n-]n2)n1 ZINC001571262312 945434705 /nfs/dbraw/zinc/43/47/05/945434705.db2.gz ONMMBWWRXQWQQP-JTQLQIEISA-N -1 1 385.457 1.311 20 0 GDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CCN(C(=O)c2ccsn2)CC1 ZINC001571262839 945444115 /nfs/dbraw/zinc/44/41/15/945444115.db2.gz ZVCWRKSKTRHSAH-SNVBAGLBSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CCN(C(=O)c2ccsn2)CC1 ZINC001571262839 945444123 /nfs/dbraw/zinc/44/41/23/945444123.db2.gz ZVCWRKSKTRHSAH-SNVBAGLBSA-N -1 1 385.457 1.466 20 0 GDADMM O=C(CCc1nccs1)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571263010 945447936 /nfs/dbraw/zinc/44/79/36/945447936.db2.gz FPNBEEBFZSQKPU-LLVKDONJSA-N -1 1 385.457 1.149 20 0 GDADMM O=C(CCc1nccs1)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571263010 945447938 /nfs/dbraw/zinc/44/79/38/945447938.db2.gz FPNBEEBFZSQKPU-LLVKDONJSA-N -1 1 385.457 1.149 20 0 GDADMM Cc1cc(C(=O)NC[C@H]2CCCCN2c2cnc(-c3nnn[n-]3)cn2)ns1 ZINC001571263105 945449902 /nfs/dbraw/zinc/44/99/02/945449902.db2.gz HNQVECANYRUQGV-LLVKDONJSA-N -1 1 385.457 1.211 20 0 GDADMM Cc1cc(C(=O)NC[C@H]2CCCCN2c2cnc(-c3nn[n-]n3)cn2)ns1 ZINC001571263105 945449907 /nfs/dbraw/zinc/44/99/07/945449907.db2.gz HNQVECANYRUQGV-LLVKDONJSA-N -1 1 385.457 1.211 20 0 GDADMM CC[C@H](OC)C(=O)N1CCC[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571264923 945495143 /nfs/dbraw/zinc/49/51/43/945495143.db2.gz APIAIDZFBPXXEX-BDAKNGLRSA-N -1 1 385.881 1.805 20 0 GDADMM CC[C@H](OC)C(=O)N1CCC[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571264923 945495147 /nfs/dbraw/zinc/49/51/47/945495147.db2.gz APIAIDZFBPXXEX-BDAKNGLRSA-N -1 1 385.881 1.805 20 0 GDADMM CO[C@H](C)C(=O)N1C[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C(C)(C)C1 ZINC001571265481 945510821 /nfs/dbraw/zinc/51/08/21/945510821.db2.gz KWIWWKAETQSCEY-SFYZADRCSA-N -1 1 385.881 1.660 20 0 GDADMM O=C(c1ccc(F)c(F)c1)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571267367 945569088 /nfs/dbraw/zinc/56/90/88/945569088.db2.gz RZOQGLQTXYJQJX-JTQLQIEISA-N -1 1 386.366 1.509 20 0 GDADMM O=C(c1ccc(F)c(F)c1)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571267367 945569095 /nfs/dbraw/zinc/56/90/95/945569095.db2.gz RZOQGLQTXYJQJX-JTQLQIEISA-N -1 1 386.366 1.509 20 0 GDADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCN(C(=O)c2cccc(F)c2F)C1 ZINC001571267520 945573715 /nfs/dbraw/zinc/57/37/15/945573715.db2.gz XUWQAFRVENKWCE-SNVBAGLBSA-N -1 1 386.366 1.286 20 0 GDADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCN(C(=O)c2cccc(F)c2F)C1 ZINC001571267520 945573717 /nfs/dbraw/zinc/57/37/17/945573717.db2.gz XUWQAFRVENKWCE-SNVBAGLBSA-N -1 1 386.366 1.286 20 0 GDADMM O=C(COc1ccsc1)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571269692 945623072 /nfs/dbraw/zinc/62/30/72/945623072.db2.gz CHGAEOIFUURSHF-LLVKDONJSA-N -1 1 386.441 1.200 20 0 GDADMM O=C(COc1ccsc1)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571269692 945623077 /nfs/dbraw/zinc/62/30/77/945623077.db2.gz CHGAEOIFUURSHF-LLVKDONJSA-N -1 1 386.441 1.200 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)COc1ccsc1 ZINC001571270049 945630903 /nfs/dbraw/zinc/63/09/03/945630903.db2.gz LKQSABDSFVGRGH-JQWIXIFHSA-N -1 1 386.441 1.199 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)COc1ccsc1 ZINC001571270049 945630923 /nfs/dbraw/zinc/63/09/23/945630923.db2.gz LKQSABDSFVGRGH-JQWIXIFHSA-N -1 1 386.441 1.199 20 0 GDADMM COc1ccsc1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571270275 945633583 /nfs/dbraw/zinc/63/35/83/945633583.db2.gz PCOFECULOXKNBF-SNVBAGLBSA-N -1 1 386.441 1.126 20 0 GDADMM O=C(CC[C@H]1CCOC1)N1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571272391 945662362 /nfs/dbraw/zinc/66/23/62/945662362.db2.gz CRLPWZHFLMUYBF-UONOGXRCSA-N -1 1 386.460 1.266 20 0 GDADMM O=C(CC[C@H]1CCOC1)N1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571272391 945662372 /nfs/dbraw/zinc/66/23/72/945662372.db2.gz CRLPWZHFLMUYBF-UONOGXRCSA-N -1 1 386.460 1.266 20 0 GDADMM O=C(CC1CCOCC1)N1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571272829 945670869 /nfs/dbraw/zinc/67/08/69/945670869.db2.gz JDIYQUWDCNBNLA-AWEZNQCLSA-N -1 1 386.460 1.266 20 0 GDADMM O=C(CC1CCOCC1)N1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571272829 945670872 /nfs/dbraw/zinc/67/08/72/945670872.db2.gz JDIYQUWDCNBNLA-AWEZNQCLSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@@H]1CN(C(=O)CC[C@H]2CCCCO2)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571273154 945679228 /nfs/dbraw/zinc/67/92/28/945679228.db2.gz QSGKCJKOHHSVET-MGPQQGTHSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H]1CN(C(=O)CC[C@H]2CCCCO2)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571273154 945679233 /nfs/dbraw/zinc/67/92/33/945679233.db2.gz QSGKCJKOHHSVET-MGPQQGTHSA-N -1 1 386.460 1.265 20 0 GDADMM CN(C[C@H]1CCCCN1C(=O)[C@@H]1CCCCO1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571273118 945679823 /nfs/dbraw/zinc/67/98/23/945679823.db2.gz POAAWZVZOUEYCJ-HIFRSBDPSA-N -1 1 386.460 1.043 20 0 GDADMM CN(C[C@H]1CCCCN1C(=O)[C@@H]1CCCCO1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571273118 945679829 /nfs/dbraw/zinc/67/98/29/945679829.db2.gz POAAWZVZOUEYCJ-HIFRSBDPSA-N -1 1 386.460 1.043 20 0 GDADMM O=C(CC[C@@H]1CCCCO1)N1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571273370 945686427 /nfs/dbraw/zinc/68/64/27/945686427.db2.gz WLMBVMIGWRLMBZ-KBPBESRZSA-N -1 1 386.460 1.266 20 0 GDADMM O=C(CC[C@@H]1CCCCO1)N1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571273370 945686434 /nfs/dbraw/zinc/68/64/34/945686434.db2.gz WLMBVMIGWRLMBZ-KBPBESRZSA-N -1 1 386.460 1.266 20 0 GDADMM CCOC(=O)[C@](NC(=O)c1coc(-c2nnn[n-]2)c1)(C1CCC1)C(F)(F)F ZINC001571275548 945710097 /nfs/dbraw/zinc/71/00/97/945710097.db2.gz WJFWFVZLWKBKOJ-CQSZACIVSA-N -1 1 387.318 1.854 20 0 GDADMM CCOC(=O)[C@](NC(=O)c1coc(-c2nn[n-]n2)c1)(C1CCC1)C(F)(F)F ZINC001571275548 945710111 /nfs/dbraw/zinc/71/01/11/945710111.db2.gz WJFWFVZLWKBKOJ-CQSZACIVSA-N -1 1 387.318 1.854 20 0 GDADMM Cn1cc([C@H](NC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)C(F)(F)F)cn1 ZINC001571275620 945711234 /nfs/dbraw/zinc/71/12/34/945711234.db2.gz YWHACHQYMDVHPP-NSHDSACASA-N -1 1 387.272 1.912 20 0 GDADMM Cn1cc([C@H](NC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)C(F)(F)F)cn1 ZINC001571275620 945711240 /nfs/dbraw/zinc/71/12/40/945711240.db2.gz YWHACHQYMDVHPP-NSHDSACASA-N -1 1 387.272 1.912 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H]1CN(C(=O)CC2CCCC2)CCO1 ZINC001571275656 945712230 /nfs/dbraw/zinc/71/22/30/945712230.db2.gz ACZILAIHTDNPBF-TZMCWYRMSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H]1CN(C(=O)CC2CCCC2)CCO1 ZINC001571275656 945712236 /nfs/dbraw/zinc/71/22/36/945712236.db2.gz ACZILAIHTDNPBF-TZMCWYRMSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H](C(=O)N1CCCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C1CCC1 ZINC001571277567 945742143 /nfs/dbraw/zinc/74/21/43/945742143.db2.gz LUFFAMRKFCCNNR-JSGCOSHPSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H](C(=O)N1CCCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C1CCC1 ZINC001571277567 945742152 /nfs/dbraw/zinc/74/21/52/945742152.db2.gz LUFFAMRKFCCNNR-JSGCOSHPSA-N -1 1 386.460 1.122 20 0 GDADMM CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571277622 945744122 /nfs/dbraw/zinc/74/41/22/945744122.db2.gz MNYVEKGWOOQLPN-JXFSHQFZSA-N -1 1 386.460 1.311 20 0 GDADMM CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571277622 945744125 /nfs/dbraw/zinc/74/41/25/945744125.db2.gz MNYVEKGWOOQLPN-JXFSHQFZSA-N -1 1 386.460 1.311 20 0 GDADMM CCC1(C(=O)N2CC[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)CCOCC1 ZINC001571279603 945782512 /nfs/dbraw/zinc/78/25/12/945782512.db2.gz WNRUDJZMGJWUCK-ZDUSSCGKSA-N -1 1 386.460 1.185 20 0 GDADMM CCC1(C(=O)N2CC[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)CCOCC1 ZINC001571279603 945782522 /nfs/dbraw/zinc/78/25/22/945782522.db2.gz WNRUDJZMGJWUCK-ZDUSSCGKSA-N -1 1 386.460 1.185 20 0 GDADMM CCn1cnc(C(=O)NC[C@@H]2CCCN2c2snc(C)c2-c2nn[n-]n2)c1 ZINC001571281096 945796436 /nfs/dbraw/zinc/79/64/36/945796436.db2.gz CGLMMFMUEDWIJB-NSHDSACASA-N -1 1 387.473 1.247 20 0 GDADMM Cc1nn(C)cc1C(=O)N1CCC[C@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001571281197 945800222 /nfs/dbraw/zinc/80/02/22/945800222.db2.gz FDFGKXBGTJQWIX-NSHDSACASA-N -1 1 387.473 1.390 20 0 GDADMM CCn1cc(C(=O)N[C@H]2CCCN(c3snc(C)c3-c3nn[n-]n3)C2)cn1 ZINC001571281568 945807137 /nfs/dbraw/zinc/80/71/37/945807137.db2.gz IUKGTKSANMMOMJ-LBPRGKRZSA-N -1 1 387.473 1.247 20 0 GDADMM CCc1n[nH]cc1C(=O)N[C@@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571282458 945846390 /nfs/dbraw/zinc/84/63/90/945846390.db2.gz ZESHVVMZDMDXQQ-SNVBAGLBSA-N -1 1 387.473 1.316 20 0 GDADMM COc1ccc(C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)cc1O ZINC000821772531 945853799 /nfs/dbraw/zinc/85/37/99/945853799.db2.gz DQYXBEWVMWCRDP-UHFFFAOYSA-N -1 1 387.352 1.586 20 0 GDADMM CC(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001573454009 945873163 /nfs/dbraw/zinc/87/31/63/945873163.db2.gz TYZIKOUQWQVJJV-AWEZNQCLSA-N -1 1 392.423 1.379 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCc2csc(N(C)C)n2)cc1-c1nn[n-]n1 ZINC000821978283 945912640 /nfs/dbraw/zinc/91/26/40/945912640.db2.gz LCLKYYHWVBVHPR-UHFFFAOYSA-N -1 1 392.470 1.142 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CN(C(=O)c3ccc(F)s3)C[C@H]2C)n1 ZINC001571286608 945952154 /nfs/dbraw/zinc/95/21/54/945952154.db2.gz MGEJTCGSJDJVRX-LDYMZIIASA-N -1 1 388.432 1.738 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CN(C(=O)c3ccc(F)s3)C[C@H]2C)n1 ZINC001571286608 945952160 /nfs/dbraw/zinc/95/21/60/945952160.db2.gz MGEJTCGSJDJVRX-LDYMZIIASA-N -1 1 388.432 1.738 20 0 GDADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCCC[C@H]1C(=O)OC(C)(C)C ZINC001571286813 945959691 /nfs/dbraw/zinc/95/96/91/945959691.db2.gz SCSHTTPHQXTYQX-LBPRGKRZSA-N -1 1 388.428 1.612 20 0 GDADMM Cc1ncoc1C(=O)N1CC[C@H](CCNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571289408 946005652 /nfs/dbraw/zinc/00/56/52/946005652.db2.gz BWRAAOINNIBOLO-NSHDSACASA-N -1 1 388.457 1.892 20 0 GDADMM Cc1nsc(NC[C@@H]2CCC[C@@H]2NC(=O)c2ncoc2C)c1-c1nn[n-]n1 ZINC001571289572 946008817 /nfs/dbraw/zinc/00/88/17/946008817.db2.gz HWEJPDQCLSOWHV-QWRGUYRKSA-N -1 1 388.457 1.939 20 0 GDADMM CCC(C)(CC)C(=O)N1CCO[C@@H]([C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571289782 946018622 /nfs/dbraw/zinc/01/86/22/946018622.db2.gz MIMGGPQWGPBGNJ-TZMCWYRMSA-N -1 1 388.476 1.511 20 0 GDADMM CCC(C)(CC)C(=O)N1CCO[C@@H]([C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571289782 946018635 /nfs/dbraw/zinc/01/86/35/946018635.db2.gz MIMGGPQWGPBGNJ-TZMCWYRMSA-N -1 1 388.476 1.511 20 0 GDADMM Cc1nsc(NC[C@@H]2CN(C(=O)Cc3ccon3)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571289832 946020385 /nfs/dbraw/zinc/02/03/85/946020385.db2.gz NLKMNJQSNSVJND-MWLCHTKSSA-N -1 1 388.457 1.369 20 0 GDADMM Cc1noc(C)c1C(=O)NC1CC(CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571289855 946020912 /nfs/dbraw/zinc/02/09/12/946020912.db2.gz NZDISMBBJROSOC-UHFFFAOYSA-N -1 1 388.457 1.857 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC(NC(=O)C3(F)CCCC3)CC2)n1 ZINC001571289999 946025480 /nfs/dbraw/zinc/02/54/80/946025480.db2.gz RZKIJOUQOZRBON-UHFFFAOYSA-N -1 1 388.451 1.586 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC(NC(=O)C3(F)CCCC3)CC2)n1 ZINC001571289999 946025486 /nfs/dbraw/zinc/02/54/86/946025486.db2.gz RZKIJOUQOZRBON-UHFFFAOYSA-N -1 1 388.451 1.586 20 0 GDADMM CN(C[C@H]1CCN(C(=O)C2(F)CCCCC2)C1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571290000 946025703 /nfs/dbraw/zinc/02/57/03/946025703.db2.gz RZLLCVOCHMIYPM-CYBMUJFWSA-N -1 1 388.451 1.614 20 0 GDADMM CN(C[C@H]1CCN(C(=O)C2(F)CCCCC2)C1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571290000 946025714 /nfs/dbraw/zinc/02/57/14/946025714.db2.gz RZLLCVOCHMIYPM-CYBMUJFWSA-N -1 1 388.451 1.614 20 0 GDADMM CS[C@@H](C)C(=O)N1CCC2(CCN(c3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001571290702 946055211 /nfs/dbraw/zinc/05/52/11/946055211.db2.gz MGNIEWXQKWBLKX-LBPRGKRZSA-N -1 1 388.501 1.227 20 0 GDADMM CS[C@@H](C)C(=O)N1CCC2(CCN(c3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001571290702 946055223 /nfs/dbraw/zinc/05/52/23/946055223.db2.gz MGNIEWXQKWBLKX-LBPRGKRZSA-N -1 1 388.501 1.227 20 0 GDADMM O=C(N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccc(F)cc1Cl ZINC001571290798 946057304 /nfs/dbraw/zinc/05/73/04/946057304.db2.gz PIYBKMKIUGTFIS-SNVBAGLBSA-N -1 1 388.794 1.458 20 0 GDADMM O=C(N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccc(F)cc1Cl ZINC001571290798 946057315 /nfs/dbraw/zinc/05/73/15/946057315.db2.gz PIYBKMKIUGTFIS-SNVBAGLBSA-N -1 1 388.794 1.458 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1coc(C(F)F)c1 ZINC001571294614 946138950 /nfs/dbraw/zinc/13/89/50/946138950.db2.gz KDMYJZGPNQJWEE-PSASIEDQSA-N -1 1 390.354 1.902 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1coc(C(F)F)c1 ZINC001571294614 946138954 /nfs/dbraw/zinc/13/89/54/946138954.db2.gz KDMYJZGPNQJWEE-PSASIEDQSA-N -1 1 390.354 1.902 20 0 GDADMM Cc1nsc(NC[C@@H]2CC[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)c1-c1nn[n-]n1 ZINC001571295275 946159324 /nfs/dbraw/zinc/15/93/24/946159324.db2.gz RSEZWDBDPMGDHO-SSKLVLDBSA-N -1 1 389.485 1.221 20 0 GDADMM O=C(N[C@@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2)[C@H]1CCC1(F)F ZINC001571295327 946159394 /nfs/dbraw/zinc/15/93/94/946159394.db2.gz XZQOSHLDGDEUIE-GHMZBOCLSA-N -1 1 390.398 1.177 20 0 GDADMM O=C(N[C@@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2)[C@H]1CCC1(F)F ZINC001571295327 946159398 /nfs/dbraw/zinc/15/93/98/946159398.db2.gz XZQOSHLDGDEUIE-GHMZBOCLSA-N -1 1 390.398 1.177 20 0 GDADMM O=C(Cn1c2c(cc(-c3nn[n-]n3)c1=O)CCC2)N(Cc1ccccc1)C1CC1 ZINC001571296484 946196671 /nfs/dbraw/zinc/19/66/71/946196671.db2.gz ZDJJDWZAQOEXTG-UHFFFAOYSA-N -1 1 390.447 1.708 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N(C)C[C@@H]2CCCCN2C(=O)[C@@H](F)CC)n1 ZINC001571298090 946206295 /nfs/dbraw/zinc/20/62/95/946206295.db2.gz JGIPYVCWXUNDRD-STQMWFEESA-N -1 1 390.467 1.785 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N(C)C[C@@H]2CCCCN2C(=O)[C@@H](F)CC)n1 ZINC001571298090 946206307 /nfs/dbraw/zinc/20/63/07/946206307.db2.gz JGIPYVCWXUNDRD-STQMWFEESA-N -1 1 390.467 1.785 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)C1Cc2ccccc2C1 ZINC001571298488 946220118 /nfs/dbraw/zinc/22/01/18/946220118.db2.gz PINAHZAAGYUHNJ-MRXNPFEDSA-N -1 1 390.451 1.157 20 0 GDADMM CC1(C)C[C@H]1C(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571298701 946225889 /nfs/dbraw/zinc/22/58/89/946225889.db2.gz JVPPYBCZORZWGM-RRFJBIMHSA-N -1 1 390.451 1.897 20 0 GDADMM CC1(C)C[C@H]1C(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571298701 946225901 /nfs/dbraw/zinc/22/59/01/946225901.db2.gz JVPPYBCZORZWGM-RRFJBIMHSA-N -1 1 390.451 1.897 20 0 GDADMM CCc1ccc(C(=O)N2C[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]3C2)cc1 ZINC001571298889 946233437 /nfs/dbraw/zinc/23/34/37/946233437.db2.gz LNIJPIUWULAZCK-IYBDPMFKSA-N -1 1 390.451 1.428 20 0 GDADMM CCc1ccc(C(=O)N2C[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]3C2)cc1 ZINC001571298889 946233444 /nfs/dbraw/zinc/23/34/44/946233444.db2.gz LNIJPIUWULAZCK-IYBDPMFKSA-N -1 1 390.451 1.428 20 0 GDADMM CC(=O)N[C@@H](CC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC001573486400 946241289 /nfs/dbraw/zinc/24/12/89/946241289.db2.gz FUOKPHBTWVZRJR-ZDUSSCGKSA-N -1 1 390.354 1.084 20 0 GDADMM CC(=O)N[C@@H](CC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC001573486400 946241297 /nfs/dbraw/zinc/24/12/97/946241297.db2.gz FUOKPHBTWVZRJR-ZDUSSCGKSA-N -1 1 390.354 1.084 20 0 GDADMM O=C(c1ccc2c(c1)CCC2)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571299427 946250958 /nfs/dbraw/zinc/25/09/58/946250958.db2.gz WGSNURJQNGWFEJ-MRXNPFEDSA-N -1 1 390.451 1.862 20 0 GDADMM O=C(c1ccc2c(c1)CCC2)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571299427 946250971 /nfs/dbraw/zinc/25/09/71/946250971.db2.gz WGSNURJQNGWFEJ-MRXNPFEDSA-N -1 1 390.451 1.862 20 0 GDADMM O=C(N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cccc(C2CC2)c1 ZINC001571299484 946252047 /nfs/dbraw/zinc/25/20/47/946252047.db2.gz WLMZQNALUBCAFR-MRXNPFEDSA-N -1 1 390.451 1.933 20 0 GDADMM O=C(N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cccc(C2CC2)c1 ZINC001571299484 946252057 /nfs/dbraw/zinc/25/20/57/946252057.db2.gz WLMZQNALUBCAFR-MRXNPFEDSA-N -1 1 390.451 1.933 20 0 GDADMM Cc1cccc(C(=O)N[C@@]23CCC[C@H]2N(c2cnc(-c4nnn[n-]4)cn2)CC3)c1 ZINC001571299507 946254239 /nfs/dbraw/zinc/25/42/39/946254239.db2.gz SSIOLXDINXEURZ-OXQOHEQNSA-N -1 1 390.451 1.897 20 0 GDADMM Cc1cccc(C(=O)N[C@@]23CCC[C@H]2N(c2cnc(-c4nn[n-]n4)cn2)CC3)c1 ZINC001571299507 946254251 /nfs/dbraw/zinc/25/42/51/946254251.db2.gz SSIOLXDINXEURZ-OXQOHEQNSA-N -1 1 390.451 1.897 20 0 GDADMM C[C@H]1CN(C(=O)c2cc(Cl)cs2)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571299640 946256198 /nfs/dbraw/zinc/25/61/98/946256198.db2.gz OCQIJNRNCQKZTC-WCBMZHEXSA-N -1 1 390.860 1.944 20 0 GDADMM C[C@H]1CN(C(=O)c2cc(Cl)cs2)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571299640 946256208 /nfs/dbraw/zinc/25/62/08/946256208.db2.gz OCQIJNRNCQKZTC-WCBMZHEXSA-N -1 1 390.860 1.944 20 0 GDADMM C[C@@H]1CN(C(=O)c2cc(Cl)cs2)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571299638 946257560 /nfs/dbraw/zinc/25/75/60/946257560.db2.gz OCQIJNRNCQKZTC-PSASIEDQSA-N -1 1 390.860 1.944 20 0 GDADMM C[C@@H]1CN(C(=O)c2cc(Cl)cs2)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571299638 946257576 /nfs/dbraw/zinc/25/75/76/946257576.db2.gz OCQIJNRNCQKZTC-PSASIEDQSA-N -1 1 390.860 1.944 20 0 GDADMM Cc1ncc(C(=O)N2CC[C@H](CNc3snc(C)c3-c3nn[n-]n3)C2)s1 ZINC001571299593 946257801 /nfs/dbraw/zinc/25/78/01/946257801.db2.gz YFOFIJPUDLQAPL-SNVBAGLBSA-N -1 1 390.498 1.971 20 0 GDADMM O=C(C1Cc2ccccc2C1)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571299845 946264789 /nfs/dbraw/zinc/26/47/89/946264789.db2.gz WMIPEXLYCFDJLC-MRXNPFEDSA-N -1 1 390.451 1.475 20 0 GDADMM O=C(C1Cc2ccccc2C1)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571299845 946264797 /nfs/dbraw/zinc/26/47/97/946264797.db2.gz WMIPEXLYCFDJLC-MRXNPFEDSA-N -1 1 390.451 1.475 20 0 GDADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1csc(Cl)c1 ZINC001571299881 946265613 /nfs/dbraw/zinc/26/56/13/946265613.db2.gz QFJJWFFOZPIPBK-PSASIEDQSA-N -1 1 390.860 1.509 20 0 GDADMM CC[C@H](SC)C(=O)N1CCCC[C@H]1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001571299946 946267477 /nfs/dbraw/zinc/26/74/77/946267477.db2.gz RRIBRDYOTXLEKR-JSGCOSHPSA-N -1 1 390.517 1.900 20 0 GDADMM CC[C@H](SC)C(=O)N1CCCC[C@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001571299946 946267489 /nfs/dbraw/zinc/26/74/89/946267489.db2.gz RRIBRDYOTXLEKR-JSGCOSHPSA-N -1 1 390.517 1.900 20 0 GDADMM O=C([C@@H]1CCc2cccnc21)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571302858 946318697 /nfs/dbraw/zinc/31/86/97/946318697.db2.gz HVBPEPUAQPXQFQ-ZIAGYGMSSA-N -1 1 391.439 1.185 20 0 GDADMM O=C([C@@H]1CCc2cccnc21)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571302858 946318712 /nfs/dbraw/zinc/31/87/12/946318712.db2.gz HVBPEPUAQPXQFQ-ZIAGYGMSSA-N -1 1 391.439 1.185 20 0 GDADMM CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001571303389 946334334 /nfs/dbraw/zinc/33/43/34/946334334.db2.gz LRDRVMFIFBYPHL-SNVBAGLBSA-N -1 1 391.432 1.854 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC2CC3(CC(NC(=O)c4ccncc4)C3)C2)n1 ZINC001571303406 946334678 /nfs/dbraw/zinc/33/46/78/946334678.db2.gz QDOUNKZFWIDCRF-UHFFFAOYSA-N -1 1 391.439 1.513 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC2CC3(CC(NC(=O)c4ccncc4)C3)C2)n1 ZINC001571303406 946334690 /nfs/dbraw/zinc/33/46/90/946334690.db2.gz QDOUNKZFWIDCRF-UHFFFAOYSA-N -1 1 391.439 1.513 20 0 GDADMM Cc1nsc(NC[C@@H]2CN(C(=O)C[C@H]3CCOC3)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571305452 946363818 /nfs/dbraw/zinc/36/38/18/946363818.db2.gz BNDVBSPIOWKEHS-RAIGVLPGSA-N -1 1 391.501 1.565 20 0 GDADMM CN(c1nc(-c2nn[n-]n2)c(Cl)s1)[C@H]1CCN(C(=O)c2cnccn2)C1 ZINC001571305594 946370612 /nfs/dbraw/zinc/37/06/12/946370612.db2.gz GWLBXXWPVKBKMU-QMMMGPOBSA-N -1 1 391.848 1.118 20 0 GDADMM Cc1nsc(N2CCC[C@@H](NC(=O)C3(C)CCOCC3)C2)c1-c1nn[n-]n1 ZINC001571305812 946376888 /nfs/dbraw/zinc/37/68/88/946376888.db2.gz KOWAWHOHXPQNHD-GFCCVEGCSA-N -1 1 391.501 1.533 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2snc(Cl)c2-c2nnn[n-]2)C1)c1ccncn1 ZINC001571306144 946387954 /nfs/dbraw/zinc/38/79/54/946387954.db2.gz QCLAGKXXDWGJFQ-ZKCHVHJHSA-N -1 1 391.848 1.387 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2snc(Cl)c2-c2nn[n-]n2)C1)c1ccncn1 ZINC001571306144 946387964 /nfs/dbraw/zinc/38/79/64/946387964.db2.gz QCLAGKXXDWGJFQ-ZKCHVHJHSA-N -1 1 391.848 1.387 20 0 GDADMM Cc1nsc(N[C@H]2CC[C@H](NC(=O)[C@]3(C)CCOC3)CC2)c1-c1nn[n-]n1 ZINC001571306375 946397791 /nfs/dbraw/zinc/39/77/91/946397791.db2.gz UNVVDZUICCONHY-PSTGCABASA-N -1 1 391.501 1.898 20 0 GDADMM O=C(c1ccoc1)N1C[C@@H]2CN(c3snc(Cl)c3-c3nnn[n-]3)C[C@@H]2C1 ZINC001571306589 946404936 /nfs/dbraw/zinc/40/49/36/946404936.db2.gz YHGOXVUQJVVATO-AOOOYVTPSA-N -1 1 391.844 1.778 20 0 GDADMM O=C(c1ccoc1)N1C[C@@H]2CN(c3snc(Cl)c3-c3nn[n-]n3)C[C@@H]2C1 ZINC001571306589 946404943 /nfs/dbraw/zinc/40/49/43/946404943.db2.gz YHGOXVUQJVVATO-AOOOYVTPSA-N -1 1 391.844 1.778 20 0 GDADMM CCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCN(C(=O)C2(C(F)F)CC2)CC1 ZINC001571307783 946424464 /nfs/dbraw/zinc/42/44/64/946424464.db2.gz HEQHSAOETWLTQK-UHFFFAOYSA-N -1 1 392.414 1.885 20 0 GDADMM CCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCN(C(=O)C2(C(F)F)CC2)CC1 ZINC001571307783 946424474 /nfs/dbraw/zinc/42/44/74/946424474.db2.gz HEQHSAOETWLTQK-UHFFFAOYSA-N -1 1 392.414 1.885 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571307882 946426284 /nfs/dbraw/zinc/42/62/84/946426284.db2.gz IVMIOANJILFGPZ-MNOVXSKESA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571307882 946426296 /nfs/dbraw/zinc/42/62/96/946426296.db2.gz IVMIOANJILFGPZ-MNOVXSKESA-N -1 1 392.414 1.599 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(NC(=O)[C@@H]3CCC(F)(F)C3)CC2)n1 ZINC001571308900 946437109 /nfs/dbraw/zinc/43/71/09/946437109.db2.gz VAYCZYQNDCFKJS-LLVKDONJSA-N -1 1 392.414 1.486 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(NC(=O)[C@@H]3CCC(F)(F)C3)CC2)n1 ZINC001571308900 946437116 /nfs/dbraw/zinc/43/71/16/946437116.db2.gz VAYCZYQNDCFKJS-LLVKDONJSA-N -1 1 392.414 1.486 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCO[C@H](c2ccco2)C1 ZINC000823600338 946450087 /nfs/dbraw/zinc/45/00/87/946450087.db2.gz GJRRDXBFWBKGSK-AWEZNQCLSA-N -1 1 379.373 1.361 20 0 GDADMM O=C(N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)[C@@H]1CCCC(F)(F)C1 ZINC001571309649 946450559 /nfs/dbraw/zinc/45/05/59/946450559.db2.gz GQLBQVYSBVMQGP-VXGBXAGGSA-N -1 1 392.414 1.567 20 0 GDADMM O=C(N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)[C@@H]1CCCC(F)(F)C1 ZINC001571309649 946450567 /nfs/dbraw/zinc/45/05/67/946450567.db2.gz GQLBQVYSBVMQGP-VXGBXAGGSA-N -1 1 392.414 1.567 20 0 GDADMM O=C([C@H]1Cc2ccccc2O1)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571309650 946450592 /nfs/dbraw/zinc/45/05/92/946450592.db2.gz GTIMZRCGLWRLPV-DZGCQCFKSA-N -1 1 392.423 1.063 20 0 GDADMM O=C([C@H]1Cc2ccccc2O1)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571309650 946450602 /nfs/dbraw/zinc/45/06/02/946450602.db2.gz GTIMZRCGLWRLPV-DZGCQCFKSA-N -1 1 392.423 1.063 20 0 GDADMM CC(C)Cc1ccccc1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571310483 946473031 /nfs/dbraw/zinc/47/30/31/946473031.db2.gz HFPFVRHZBJSKBG-HNNXBMFYSA-N -1 1 392.467 1.864 20 0 GDADMM CC(C)Cc1ccccc1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571310483 946473036 /nfs/dbraw/zinc/47/30/36/946473036.db2.gz HFPFVRHZBJSKBG-HNNXBMFYSA-N -1 1 392.467 1.864 20 0 GDADMM CC(C)Cc1ccc(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001571310606 946477997 /nfs/dbraw/zinc/47/79/97/946477997.db2.gz KOQOYEQIXFHLRJ-MRXNPFEDSA-N -1 1 392.467 1.864 20 0 GDADMM CC(C)Cc1ccc(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571310606 946478003 /nfs/dbraw/zinc/47/80/03/946478003.db2.gz KOQOYEQIXFHLRJ-MRXNPFEDSA-N -1 1 392.467 1.864 20 0 GDADMM COC(=O)[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)[C@H](C)C1 ZINC001571311013 946481738 /nfs/dbraw/zinc/48/17/38/946481738.db2.gz PRJSUIOPWKPXRV-RKDXNWHRSA-N -1 1 392.441 1.103 20 0 GDADMM Cc1ccc(C)c(C(=O)NC[C@H]2CCCN2c2nc(C)cc(-c3nnn[n-]3)n2)c1 ZINC001571315604 946556682 /nfs/dbraw/zinc/55/66/82/946556682.db2.gz MDGJLGFTCWMCLN-OAHLLOKOSA-N -1 1 392.467 1.981 20 0 GDADMM Cc1ccc(C)c(C(=O)NC[C@H]2CCCN2c2nc(C)cc(-c3nn[n-]n3)n2)c1 ZINC001571315604 946556691 /nfs/dbraw/zinc/55/66/91/946556691.db2.gz MDGJLGFTCWMCLN-OAHLLOKOSA-N -1 1 392.467 1.981 20 0 GDADMM CC(C)(C)CCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824087524 946584319 /nfs/dbraw/zinc/58/43/19/946584319.db2.gz WGTANEDDVWNNPW-UHFFFAOYSA-N -1 1 376.465 1.699 20 0 GDADMM CC(C)(C)CCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824087524 946584326 /nfs/dbraw/zinc/58/43/26/946584326.db2.gz WGTANEDDVWNNPW-UHFFFAOYSA-N -1 1 376.465 1.699 20 0 GDADMM Cc1ccccc1[C@H](C)CC(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571316966 946595885 /nfs/dbraw/zinc/59/58/85/946595885.db2.gz QPEQRHMZYMPJCF-OAHLLOKOSA-N -1 1 392.467 1.808 20 0 GDADMM Cc1ccccc1[C@H](C)CC(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571316966 946595897 /nfs/dbraw/zinc/59/58/97/946595897.db2.gz QPEQRHMZYMPJCF-OAHLLOKOSA-N -1 1 392.467 1.808 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N2CCC3(CCCC3)C2)n1 ZINC000824141199 946599071 /nfs/dbraw/zinc/59/90/71/946599071.db2.gz DXFCHVCSISWEIP-UHFFFAOYSA-N -1 1 386.460 1.549 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N2CCC3(CCCC3)C2)n1 ZINC000824141199 946599085 /nfs/dbraw/zinc/59/90/85/946599085.db2.gz DXFCHVCSISWEIP-UHFFFAOYSA-N -1 1 386.460 1.549 20 0 GDADMM Cn1cccc1C(=O)NC1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC001571317404 946608083 /nfs/dbraw/zinc/60/80/83/946608083.db2.gz GUYRTPLKTMGPFA-UHFFFAOYSA-N -1 1 392.876 1.714 20 0 GDADMM Cn1cccc1C(=O)NC1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC001571317404 946608096 /nfs/dbraw/zinc/60/80/96/946608096.db2.gz GUYRTPLKTMGPFA-UHFFFAOYSA-N -1 1 392.876 1.714 20 0 GDADMM CC(=O)c1cccc(CNS(=O)(=O)c2c(C)cc(F)cc2-c2nn[n-]n2)c1 ZINC001573555513 946912391 /nfs/dbraw/zinc/91/23/91/946912391.db2.gz OAVSUXLGVDGDJX-UHFFFAOYSA-N -1 1 389.412 1.995 20 0 GDADMM CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)Cc2noc(C)c2-c2nnn[n-]2)C1 ZINC000825284863 947141623 /nfs/dbraw/zinc/14/16/23/947141623.db2.gz AURPDPWRYQHTBC-WCQYABFASA-N -1 1 389.460 1.249 20 0 GDADMM CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)Cc2noc(C)c2-c2nn[n-]n2)C1 ZINC000825284863 947141632 /nfs/dbraw/zinc/14/16/32/947141632.db2.gz AURPDPWRYQHTBC-WCQYABFASA-N -1 1 389.460 1.249 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1-c1nn[n-]n1 ZINC000825565055 947224930 /nfs/dbraw/zinc/22/49/30/947224930.db2.gz KTBLAZZRNGWBJQ-NQBHXWOUSA-N -1 1 375.433 1.181 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H](C)c1cccc(F)c1 ZINC001573586274 947281369 /nfs/dbraw/zinc/28/13/69/947281369.db2.gz NEAXGBKWOZALKX-NEPJUHHUSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H](C)c1cccc(F)c1 ZINC001573586274 947281381 /nfs/dbraw/zinc/28/13/81/947281381.db2.gz NEAXGBKWOZALKX-NEPJUHHUSA-N -1 1 384.419 1.858 20 0 GDADMM C=C/C(C)=C/CC(=O)N1C[C@@H](CNc2nccnc2-c2nnn[n-]2)[C@H](OCC)C1 ZINC001573316927 947288537 /nfs/dbraw/zinc/28/85/37/947288537.db2.gz JNSVHVDFSYCNDX-KUYFCZACSA-N -1 1 398.471 1.455 20 0 GDADMM C=C/C(C)=C/CC(=O)N1C[C@@H](CNc2nccnc2-c2nn[n-]n2)[C@H](OCC)C1 ZINC001573316927 947288549 /nfs/dbraw/zinc/28/85/49/947288549.db2.gz JNSVHVDFSYCNDX-KUYFCZACSA-N -1 1 398.471 1.455 20 0 GDADMM C=C/C(C)=C/CC(=O)N1CCC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001573316991 947288694 /nfs/dbraw/zinc/28/86/94/947288694.db2.gz KIMAIHNMYWLECH-ZCIHOMHXSA-N -1 1 380.456 1.606 20 0 GDADMM C=C/C(C)=C/CC(=O)N1CCC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001573316991 947288705 /nfs/dbraw/zinc/28/87/05/947288705.db2.gz KIMAIHNMYWLECH-ZCIHOMHXSA-N -1 1 380.456 1.606 20 0 GDADMM C=C/C(C)=C\CC(=O)N1CCC[C@@H]2[C@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001573317353 947296855 /nfs/dbraw/zinc/29/68/55/947296855.db2.gz NYQXNGFYFBUEDC-CMKFXNONSA-N -1 1 380.456 1.749 20 0 GDADMM C=C/C(C)=C\CC(=O)N1CCC[C@@H]2[C@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001573317353 947296866 /nfs/dbraw/zinc/29/68/66/947296866.db2.gz NYQXNGFYFBUEDC-CMKFXNONSA-N -1 1 380.456 1.749 20 0 GDADMM C=C/C(C)=C\CC(=O)N(CCC)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573318150 947303541 /nfs/dbraw/zinc/30/35/41/947303541.db2.gz QRIRDGBTRFNNOF-HWIKDYBBSA-N -1 1 382.472 1.996 20 0 GDADMM C=C/C(C)=C\CC(=O)N(CCC)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573318150 947303552 /nfs/dbraw/zinc/30/35/52/947303552.db2.gz QRIRDGBTRFNNOF-HWIKDYBBSA-N -1 1 382.472 1.996 20 0 GDADMM CCc1nn(Cc2cccc(-n3cccn3)c2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000825763351 947320098 /nfs/dbraw/zinc/32/00/98/947320098.db2.gz VKURWIPZRIPFTR-UHFFFAOYSA-N -1 1 376.424 1.782 20 0 GDADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1nccnc1-c1nnn[n-]1)[C@@H]1CCCO1 ZINC001573594425 947395007 /nfs/dbraw/zinc/39/50/07/947395007.db2.gz YUYMRPPVDLUEHY-OLZOCXBDSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1nccnc1-c1nn[n-]n1)[C@@H]1CCCO1 ZINC001573594425 947395014 /nfs/dbraw/zinc/39/50/14/947395014.db2.gz YUYMRPPVDLUEHY-OLZOCXBDSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)N(CCN(C)c1ccnc(-c2nn[n-]n2)n1)C(=O)[C@@H](C)[C@H]1CCCO1 ZINC001573603593 947491523 /nfs/dbraw/zinc/49/15/23/947491523.db2.gz IFSTVGRJQSSHRG-UONOGXRCSA-N -1 1 388.476 1.145 20 0 GDADMM COc1cc(F)c([C@H](C)NC(=O)Cc2noc(C)c2-c2nnn[n-]2)cc1OC ZINC000826179743 947556098 /nfs/dbraw/zinc/55/60/98/947556098.db2.gz CBBIBQBDUKKKNW-QMMMGPOBSA-N -1 1 390.375 1.739 20 0 GDADMM COc1cc(F)c([C@H](C)NC(=O)Cc2noc(C)c2-c2nn[n-]n2)cc1OC ZINC000826179743 947556102 /nfs/dbraw/zinc/55/61/02/947556102.db2.gz CBBIBQBDUKKKNW-QMMMGPOBSA-N -1 1 390.375 1.739 20 0 GDADMM C[C@H](C(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C(C)(C)C1)C(C)(F)F ZINC001573614523 947588929 /nfs/dbraw/zinc/58/89/29/947588929.db2.gz MSQOJDPSPNSCMV-KOLCDFICSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@H](C(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C(C)(C)C1)C(C)(F)F ZINC001573614523 947588935 /nfs/dbraw/zinc/58/89/35/947588935.db2.gz MSQOJDPSPNSCMV-KOLCDFICSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CN(C)c2ccnc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573615965 947615152 /nfs/dbraw/zinc/61/51/52/947615152.db2.gz LGJINBXKAQFJGV-WDEREUQCSA-N -1 1 380.403 1.233 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1cccs1 ZINC001573616004 947615583 /nfs/dbraw/zinc/61/55/83/947615583.db2.gz GZXTVTKJLFQHSS-RYUDHWBXSA-N -1 1 384.469 1.782 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573616004 947615585 /nfs/dbraw/zinc/61/55/85/947615585.db2.gz GZXTVTKJLFQHSS-RYUDHWBXSA-N -1 1 384.469 1.782 20 0 GDADMM C[C@H](C(=O)N1CCC(CNc2cnc(-c3nnn[n-]3)cn2)CC1)[C@H]1CCCO1 ZINC001573616365 947620912 /nfs/dbraw/zinc/62/09/12/947620912.db2.gz IGYOLOMGSJVMBF-SWLSCSKDSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H](C(=O)N1CCC(CNc2cnc(-c3nn[n-]n3)cn2)CC1)[C@H]1CCCO1 ZINC001573616365 947620920 /nfs/dbraw/zinc/62/09/20/947620920.db2.gz IGYOLOMGSJVMBF-SWLSCSKDSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H](C(=O)N1CCC(CNc2cnc(-c3nnn[n-]3)cn2)CC1)[C@@H]1CCCO1 ZINC001573616367 947622068 /nfs/dbraw/zinc/62/20/68/947622068.db2.gz IGYOLOMGSJVMBF-WFASDCNBSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H](C(=O)N1CCC(CNc2cnc(-c3nn[n-]n3)cn2)CC1)[C@@H]1CCCO1 ZINC001573616367 947622074 /nfs/dbraw/zinc/62/20/74/947622074.db2.gz IGYOLOMGSJVMBF-WFASDCNBSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)c1cccnc1 ZINC001573617326 947633227 /nfs/dbraw/zinc/63/32/27/947633227.db2.gz OTUHPKFHMBHAFM-QWHCGFSZSA-N -1 1 379.428 1.116 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)c1cccnc1 ZINC001573617326 947633231 /nfs/dbraw/zinc/63/32/31/947633231.db2.gz OTUHPKFHMBHAFM-QWHCGFSZSA-N -1 1 379.428 1.116 20 0 GDADMM C=Cc1ccc(C(=O)N2CCO[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)cc1 ZINC001573354590 947634499 /nfs/dbraw/zinc/63/44/99/947634499.db2.gz DPJOOOXSWKIXRF-HNNXBMFYSA-N -1 1 392.423 1.253 20 0 GDADMM C=Cc1ccc(C(=O)N2CCO[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)cc1 ZINC001573354590 947634505 /nfs/dbraw/zinc/63/45/05/947634505.db2.gz DPJOOOXSWKIXRF-HNNXBMFYSA-N -1 1 392.423 1.253 20 0 GDADMM C=Cc1ccc(C(=O)NCC2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)cc1 ZINC001573356152 947648042 /nfs/dbraw/zinc/64/80/42/947648042.db2.gz URAYLVUGPMZZGC-UHFFFAOYSA-N -1 1 390.451 1.946 20 0 GDADMM C=Cc1ccc(C(=O)NCC2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)cc1 ZINC001573356152 947648047 /nfs/dbraw/zinc/64/80/47/947648047.db2.gz URAYLVUGPMZZGC-UHFFFAOYSA-N -1 1 390.451 1.946 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001573355949 947648800 /nfs/dbraw/zinc/64/88/00/947648800.db2.gz TWHVCRVDTWTLKW-OAHLLOKOSA-N -1 1 376.424 1.699 20 0 GDADMM COc1ccccc1N1CCC(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)CC1 ZINC000826220296 947652869 /nfs/dbraw/zinc/65/28/69/947652869.db2.gz IXUYJDISFHJFQJ-UHFFFAOYSA-N -1 1 397.439 1.499 20 0 GDADMM COc1ccccc1N1CCC(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)CC1 ZINC000826220296 947652877 /nfs/dbraw/zinc/65/28/77/947652877.db2.gz IXUYJDISFHJFQJ-UHFFFAOYSA-N -1 1 397.439 1.499 20 0 GDADMM C[C@@H](C(=O)N1CCC(N(C)c2ccnc(-c3nn[n-]n3)n2)CC1)C1CCCC1 ZINC001573618799 947655467 /nfs/dbraw/zinc/65/54/67/947655467.db2.gz SERFARKWSKHXIO-CYBMUJFWSA-N -1 1 384.488 1.910 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C)cc1 ZINC001573358077 947657298 /nfs/dbraw/zinc/65/72/98/947657298.db2.gz AHFFFCMXLCMKQA-CZUORRHYSA-N -1 1 390.451 1.802 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C)cc1 ZINC001573358077 947657304 /nfs/dbraw/zinc/65/73/04/947657304.db2.gz AHFFFCMXLCMKQA-CZUORRHYSA-N -1 1 390.451 1.802 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1)c1ccsc1 ZINC001573619143 947660327 /nfs/dbraw/zinc/66/03/27/947660327.db2.gz UIJRBIFTNXMAKD-AAEUAGOBSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1)c1ccsc1 ZINC001573619143 947660333 /nfs/dbraw/zinc/66/03/33/947660333.db2.gz UIJRBIFTNXMAKD-AAEUAGOBSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@H](C(=O)N1CCC(C)(Nc2ccc(-c3nnn[n-]3)nn2)CC1)C(F)(F)F ZINC001573620349 947679042 /nfs/dbraw/zinc/67/90/42/947679042.db2.gz ZQFVDVYJHSFROP-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](C(=O)N1CCC(C)(Nc2ccc(-c3nn[n-]n3)nn2)CC1)C(F)(F)F ZINC001573620349 947679047 /nfs/dbraw/zinc/67/90/47/947679047.db2.gz ZQFVDVYJHSFROP-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nnn[n-]3)n2)cc1 ZINC001573359099 947679330 /nfs/dbraw/zinc/67/93/30/947679330.db2.gz NMPLKOMHWIZPJH-INMHGKMJSA-N -1 1 388.435 1.839 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nn[n-]n3)n2)cc1 ZINC001573359099 947679336 /nfs/dbraw/zinc/67/93/36/947679336.db2.gz NMPLKOMHWIZPJH-INMHGKMJSA-N -1 1 388.435 1.839 20 0 GDADMM C=Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nnn[n-]2)cc1 ZINC001573359707 947689061 /nfs/dbraw/zinc/68/90/61/947689061.db2.gz ZALSBCGCCUTJAS-PMPSAXMXSA-N -1 1 388.435 1.839 20 0 GDADMM C=Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nn[n-]n2)cc1 ZINC001573359707 947689063 /nfs/dbraw/zinc/68/90/63/947689063.db2.gz ZALSBCGCCUTJAS-PMPSAXMXSA-N -1 1 388.435 1.839 20 0 GDADMM C/C(=C/C(=O)NCCC1CCN(c2nccnc2-c2nnn[n-]2)CC1)C1CC1 ZINC001573363940 947715335 /nfs/dbraw/zinc/71/53/35/947715335.db2.gz OJVOQIYYNNOVTB-SEYXRHQNSA-N -1 1 382.472 1.736 20 0 GDADMM C/C(=C/C(=O)NCCC1CCN(c2nccnc2-c2nn[n-]n2)CC1)C1CC1 ZINC001573363940 947715343 /nfs/dbraw/zinc/71/53/43/947715343.db2.gz OJVOQIYYNNOVTB-SEYXRHQNSA-N -1 1 382.472 1.736 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1nccnc1-c1nnn[n-]1)n1cccc1 ZINC001573627460 947725065 /nfs/dbraw/zinc/72/50/65/947725065.db2.gz BUAYXHUPZBDXQX-KBPBESRZSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1nccnc1-c1nn[n-]n1)n1cccc1 ZINC001573627460 947725074 /nfs/dbraw/zinc/72/50/74/947725074.db2.gz BUAYXHUPZBDXQX-KBPBESRZSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cccnc1 ZINC001573627734 947731158 /nfs/dbraw/zinc/73/11/58/947731158.db2.gz BHPPJBADVQZEKI-OCCSQVGLSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cccnc1 ZINC001573627734 947731163 /nfs/dbraw/zinc/73/11/63/947731163.db2.gz BHPPJBADVQZEKI-OCCSQVGLSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1)C(C)(F)F ZINC001573628008 947741931 /nfs/dbraw/zinc/74/19/31/947741931.db2.gz FBKKHBRNUWSCSF-QWRGUYRKSA-N -1 1 380.403 1.375 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1)C(C)(F)F ZINC001573628008 947741936 /nfs/dbraw/zinc/74/19/36/947741936.db2.gz FBKKHBRNUWSCSF-QWRGUYRKSA-N -1 1 380.403 1.375 20 0 GDADMM C/C(=C/C(=O)N1CC[C@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@H]21)C1CC1 ZINC001573366798 947744286 /nfs/dbraw/zinc/74/42/86/947744286.db2.gz YLSFSIITMAIYNO-SGHIPCAESA-N -1 1 380.456 1.359 20 0 GDADMM C/C(=C/C(=O)N1CC[C@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@H]21)C1CC1 ZINC001573366798 947744294 /nfs/dbraw/zinc/74/42/94/947744294.db2.gz YLSFSIITMAIYNO-SGHIPCAESA-N -1 1 380.456 1.359 20 0 GDADMM C[C@H](C(=O)N1CCC2(C1)CCN(c1cncc(-c3nnn[n-]3)n1)CC2)C1CC1 ZINC001573628171 947747378 /nfs/dbraw/zinc/74/73/78/947747378.db2.gz FWHJVACAHFXAMO-ZDUSSCGKSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H](C(=O)N1CCC2(C1)CCN(c1cncc(-c3nn[n-]n3)n1)CC2)C1CC1 ZINC001573628171 947747390 /nfs/dbraw/zinc/74/73/90/947747390.db2.gz FWHJVACAHFXAMO-ZDUSSCGKSA-N -1 1 382.472 1.522 20 0 GDADMM CC(C(=O)N1CCC[C@@H](CN(C)c2ccnc(-c3nn[n-]n3)n2)C1)=C1CCC1 ZINC001573628188 947747519 /nfs/dbraw/zinc/74/75/19/947747519.db2.gz GFXYXXBABZXXRX-AWEZNQCLSA-N -1 1 382.472 1.832 20 0 GDADMM CC(C(=O)N1CCC[C@H](CN(C)c2ccnc(-c3nn[n-]n3)n2)C1)=C1CCC1 ZINC001573628189 947747984 /nfs/dbraw/zinc/74/79/84/947747984.db2.gz GFXYXXBABZXXRX-CQSZACIVSA-N -1 1 382.472 1.832 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1)C1CC1 ZINC001573628481 947758261 /nfs/dbraw/zinc/75/82/61/947758261.db2.gz LPKNBKHZQISADT-YJYMSZOUSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1)C1CC1 ZINC001573628481 947758270 /nfs/dbraw/zinc/75/82/70/947758270.db2.gz LPKNBKHZQISADT-YJYMSZOUSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H](C(=O)N1CC[C@]2(C1)CCCN(c1cnc(-c3nnn[n-]3)cn1)C2)C1CC1 ZINC001573629292 947778275 /nfs/dbraw/zinc/77/82/75/947778275.db2.gz NHMUGCABFUBYTD-BFUOFWGJSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H](C(=O)N1CC[C@]2(C1)CCCN(c1cnc(-c3nn[n-]n3)cn1)C2)C1CC1 ZINC001573629292 947778283 /nfs/dbraw/zinc/77/82/83/947778283.db2.gz NHMUGCABFUBYTD-BFUOFWGJSA-N -1 1 382.472 1.522 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@H](C)[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573369919 947780547 /nfs/dbraw/zinc/78/05/47/947780547.db2.gz ZKQLXJCLAAFZPU-GXTWGEPZSA-N -1 1 386.460 1.313 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@H](C)[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573369919 947780552 /nfs/dbraw/zinc/78/05/52/947780552.db2.gz ZKQLXJCLAAFZPU-GXTWGEPZSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1nccnc1-c1nnn[n-]1)C1CCC1 ZINC001573629775 947783409 /nfs/dbraw/zinc/78/34/09/947783409.db2.gz VNLDCVWGUHXXAD-CFVMTHIKSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1nccnc1-c1nn[n-]n1)C1CCC1 ZINC001573629775 947783411 /nfs/dbraw/zinc/78/34/11/947783411.db2.gz VNLDCVWGUHXXAD-CFVMTHIKSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1)c1cccnc1 ZINC001573630262 947789872 /nfs/dbraw/zinc/78/98/72/947789872.db2.gz XECFIOTZKDRKQZ-OCCSQVGLSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1)c1cccnc1 ZINC001573630262 947789877 /nfs/dbraw/zinc/78/98/77/947789877.db2.gz XECFIOTZKDRKQZ-OCCSQVGLSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@H](C(=O)N1CC[C@@]2(C1)CCCN(c1ccnc(-c3nn[n-]n3)n1)C2)C1CC1 ZINC001573630645 947794631 /nfs/dbraw/zinc/79/46/31/947794631.db2.gz RJYNIPPPOUWGBA-DJJJIMSYSA-N -1 1 382.472 1.522 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)[C@H]1C ZINC001573373530 947795493 /nfs/dbraw/zinc/79/54/93/947795493.db2.gz DDTUBKVNLOUTPD-STQMWFEESA-N -1 1 391.501 1.864 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)c1ccco1 ZINC001573632312 947813627 /nfs/dbraw/zinc/81/36/27/947813627.db2.gz ZYTLUAGXCCHQEB-STQMWFEESA-N -1 1 382.428 1.481 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001573632312 947813631 /nfs/dbraw/zinc/81/36/31/947813631.db2.gz ZYTLUAGXCCHQEB-STQMWFEESA-N -1 1 382.428 1.481 20 0 GDADMM C[C@@H](C(=O)N1CCCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1)C1CCC1 ZINC001573637745 947822086 /nfs/dbraw/zinc/82/20/86/947822086.db2.gz OXTNTXCXCKYWJV-OCCSQVGLSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](C(=O)N1CCCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1)C1CCC1 ZINC001573637745 947822093 /nfs/dbraw/zinc/82/20/93/947822093.db2.gz OXTNTXCXCKYWJV-OCCSQVGLSA-N -1 1 386.460 1.122 20 0 GDADMM CC(=O)CCCC(=O)N1CCCCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573376332 947834331 /nfs/dbraw/zinc/83/43/31/947834331.db2.gz ZCCVVKXKNKWZQD-AWEZNQCLSA-N -1 1 386.460 1.021 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CCCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001573376793 947842848 /nfs/dbraw/zinc/84/28/48/947842848.db2.gz XZLBQWDLBFTTMT-KGLIPLIRSA-N -1 1 386.460 1.503 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001573376793 947842853 /nfs/dbraw/zinc/84/28/53/947842853.db2.gz XZLBQWDLBFTTMT-KGLIPLIRSA-N -1 1 386.460 1.503 20 0 GDADMM C[C@H](C(=O)N1CCOC2(CN(Cc3ccc(-c4nn[n-]n4)s3)C2)C1)C1CC1 ZINC001573639935 947848881 /nfs/dbraw/zinc/84/88/81/947848881.db2.gz DFZPMFFIVKXREC-LBPRGKRZSA-N -1 1 388.497 1.388 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@H]1CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001573378318 947857749 /nfs/dbraw/zinc/85/77/49/947857749.db2.gz ZNQHYLYYZCWVEM-AWEZNQCLSA-N -1 1 386.460 1.233 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@H]1CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001573378318 947857755 /nfs/dbraw/zinc/85/77/55/947857755.db2.gz ZNQHYLYYZCWVEM-AWEZNQCLSA-N -1 1 386.460 1.233 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)[C@@H](C)C1 ZINC001573380355 947859987 /nfs/dbraw/zinc/85/99/87/947859987.db2.gz CATGIOMSQVIGNK-GWCFXTLKSA-N -1 1 391.501 1.864 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](CNc2nccnc2-c2nnn[n-]2)[C@H](C)C1)n1cccc1 ZINC001573647664 947902220 /nfs/dbraw/zinc/90/22/20/947902220.db2.gz RNCQIGBUKMNTNF-HZSPNIEDSA-N -1 1 381.444 1.226 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](CNc2nccnc2-c2nn[n-]n2)[C@H](C)C1)n1cccc1 ZINC001573647664 947902226 /nfs/dbraw/zinc/90/22/26/947902226.db2.gz RNCQIGBUKMNTNF-HZSPNIEDSA-N -1 1 381.444 1.226 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccsc1 ZINC001573648453 947907878 /nfs/dbraw/zinc/90/78/78/947907878.db2.gz ZUVLYKQFANHQNP-JTNHKYCSSA-N -1 1 384.469 1.781 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccsc1 ZINC001573648453 947907887 /nfs/dbraw/zinc/90/78/87/947907887.db2.gz ZUVLYKQFANHQNP-JTNHKYCSSA-N -1 1 384.469 1.781 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C(C)(C)C)c1ccco1 ZINC001573652896 947948124 /nfs/dbraw/zinc/94/81/24/947948124.db2.gz HZOLAQQKKHTDEN-WCQYABFASA-N -1 1 384.444 1.418 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C(C)(C)C)c1ccco1 ZINC001573653904 947959021 /nfs/dbraw/zinc/95/90/21/947959021.db2.gz NUBIJFHALGTNMF-RISCZKNCSA-N -1 1 384.444 1.996 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C(C)(C)C)c1ccco1 ZINC001573653904 947959029 /nfs/dbraw/zinc/95/90/29/947959029.db2.gz NUBIJFHALGTNMF-RISCZKNCSA-N -1 1 384.444 1.996 20 0 GDADMM C[C@H](C(=O)N[C@@](C)(CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)n1cccc1 ZINC001573653681 947959992 /nfs/dbraw/zinc/95/99/92/947959992.db2.gz NHENRQVZUSWEIW-XIKOKIGWSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](C(=O)N[C@@](C)(CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)n1cccc1 ZINC001573653681 947959999 /nfs/dbraw/zinc/95/99/99/947959999.db2.gz NHENRQVZUSWEIW-XIKOKIGWSA-N -1 1 381.444 1.416 20 0 GDADMM Cc1noc(COc2ccc(NC(=O)Cc3noc(C)c3-c3nnn[n-]3)cc2)n1 ZINC000826340256 947976764 /nfs/dbraw/zinc/97/67/64/947976764.db2.gz PAFFBNXQBKALEZ-UHFFFAOYSA-N -1 1 396.367 1.615 20 0 GDADMM Cc1noc(COc2ccc(NC(=O)Cc3noc(C)c3-c3nn[n-]n3)cc2)n1 ZINC000826340256 947976772 /nfs/dbraw/zinc/97/67/72/947976772.db2.gz PAFFBNXQBKALEZ-UHFFFAOYSA-N -1 1 396.367 1.615 20 0 GDADMM Cc1occc1-c1cc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)n(CCO)n1 ZINC000826342652 947983441 /nfs/dbraw/zinc/98/34/41/947983441.db2.gz UXBVSSYYLUPASI-UHFFFAOYSA-N -1 1 398.383 1.102 20 0 GDADMM Cc1occc1-c1cc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)n(CCO)n1 ZINC000826342652 947983444 /nfs/dbraw/zinc/98/34/44/947983444.db2.gz UXBVSSYYLUPASI-UHFFFAOYSA-N -1 1 398.383 1.102 20 0 GDADMM C[C@H](C(=O)NC1(C2CCN(c3nccnc3-c3nnn[n-]3)CC2)CC1)C1CC1 ZINC001573656152 947985490 /nfs/dbraw/zinc/98/54/90/947985490.db2.gz CGXYASXFXXKKDO-LBPRGKRZSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](C(=O)NC1(C2CCN(c3nccnc3-c3nn[n-]n3)CC2)CC1)C1CC1 ZINC001573656152 947985497 /nfs/dbraw/zinc/98/54/97/947985497.db2.gz CGXYASXFXXKKDO-LBPRGKRZSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](C(=O)NC1(C2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)CC1)C1CC1 ZINC001573656845 947995021 /nfs/dbraw/zinc/99/50/21/947995021.db2.gz ISBKRQVKRQPFBB-LBPRGKRZSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](C(=O)NC1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C1CCCC1 ZINC001573657033 947997032 /nfs/dbraw/zinc/99/70/32/947997032.db2.gz JTYSZHOJHWKBJQ-CYBMUJFWSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](C(=O)NC1(C)CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C1CCCC1 ZINC001573657387 948001221 /nfs/dbraw/zinc/00/12/21/948001221.db2.gz NKLJFNPQGHQIJP-ZDUSSCGKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](C(=O)NC1(C)CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C1CCCC1 ZINC001573657387 948001225 /nfs/dbraw/zinc/00/12/25/948001225.db2.gz NKLJFNPQGHQIJP-ZDUSSCGKSA-N -1 1 384.488 1.958 20 0 GDADMM Cc1onc(CC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c1-c1nnn[n-]1 ZINC000826344160 948002302 /nfs/dbraw/zinc/00/23/02/948002302.db2.gz YWHOJNITNUIFRU-UHFFFAOYSA-N -1 1 390.407 1.898 20 0 GDADMM Cc1onc(CC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c1-c1nn[n-]n1 ZINC000826344160 948002310 /nfs/dbraw/zinc/00/23/10/948002310.db2.gz YWHOJNITNUIFRU-UHFFFAOYSA-N -1 1 390.407 1.898 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)c1-c1nnn[n-]1 ZINC000826344249 948003709 /nfs/dbraw/zinc/00/37/09/948003709.db2.gz BKZFYEUNCNGIPG-DGCLKSJQSA-N -1 1 388.453 1.882 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)c1-c1nn[n-]n1 ZINC000826344249 948003716 /nfs/dbraw/zinc/00/37/16/948003716.db2.gz BKZFYEUNCNGIPG-DGCLKSJQSA-N -1 1 388.453 1.882 20 0 GDADMM C[C@H](C(=O)N[C@@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cccs1 ZINC001573658606 948009258 /nfs/dbraw/zinc/00/92/58/948009258.db2.gz SOKUFYKARFXBQC-GTNSWQLSSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)N[C@@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cccs1 ZINC001573658606 948009266 /nfs/dbraw/zinc/00/92/66/948009266.db2.gz SOKUFYKARFXBQC-GTNSWQLSSA-N -1 1 384.469 1.607 20 0 GDADMM Cc1onc(CC(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)c1-c1nnn[n-]1 ZINC000826345045 948019705 /nfs/dbraw/zinc/01/97/05/948019705.db2.gz AHHPWLTWTVOEEH-DZGCQCFKSA-N -1 1 382.424 1.990 20 0 GDADMM Cc1onc(CC(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)c1-c1nn[n-]n1 ZINC000826345045 948019714 /nfs/dbraw/zinc/01/97/14/948019714.db2.gz AHHPWLTWTVOEEH-DZGCQCFKSA-N -1 1 382.424 1.990 20 0 GDADMM C[C@H](C(=O)N[C@]12CCC[C@@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2)C(C)(F)F ZINC001573662307 948025379 /nfs/dbraw/zinc/02/53/79/948025379.db2.gz BGTUYNCPZZGRGT-MOCULFSLSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H](C(=O)N[C@]12CCC[C@@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2)C(C)(F)F ZINC001573662307 948025387 /nfs/dbraw/zinc/02/53/87/948025387.db2.gz BGTUYNCPZZGRGT-MOCULFSLSA-N -1 1 392.414 1.566 20 0 GDADMM Cc1onc(CC(=O)N[C@H](C)c2nc(-c3cccc(F)c3)no2)c1-c1nnn[n-]1 ZINC000826345514 948026316 /nfs/dbraw/zinc/02/63/16/948026316.db2.gz MVJRZDUUHWOHOH-MRVPVSSYSA-N -1 1 398.358 1.772 20 0 GDADMM Cc1onc(CC(=O)N[C@H](C)c2nc(-c3cccc(F)c3)no2)c1-c1nn[n-]n1 ZINC000826345514 948026325 /nfs/dbraw/zinc/02/63/25/948026325.db2.gz MVJRZDUUHWOHOH-MRVPVSSYSA-N -1 1 398.358 1.772 20 0 GDADMM C[C@H](C(=O)NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573663174 948032910 /nfs/dbraw/zinc/03/29/10/948032910.db2.gz KCDVYBGVNWJFFV-UNXYVOJBSA-N -1 1 384.469 1.251 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1)C(F)(F)F ZINC001573663900 948045082 /nfs/dbraw/zinc/04/50/82/948045082.db2.gz BISFUASOYIQCBB-VHSXEESVSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1)C(F)(F)F ZINC001573663900 948045091 /nfs/dbraw/zinc/04/50/91/948045091.db2.gz BISFUASOYIQCBB-VHSXEESVSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C(F)(F)F ZINC001573664136 948049118 /nfs/dbraw/zinc/04/91/18/948049118.db2.gz CDZBPWDJQRIBAU-NXEZZACHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C(F)(F)F ZINC001573664136 948049130 /nfs/dbraw/zinc/04/91/30/948049130.db2.gz CDZBPWDJQRIBAU-NXEZZACHSA-N -1 1 384.366 1.330 20 0 GDADMM Cc1onc(CC(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)c1-c1nnn[n-]1 ZINC000826347228 948050867 /nfs/dbraw/zinc/05/08/67/948050867.db2.gz JIAKBBWXMBTTHF-LBPRGKRZSA-N -1 1 385.403 1.487 20 0 GDADMM Cc1onc(CC(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)c1-c1nn[n-]n1 ZINC000826347228 948050878 /nfs/dbraw/zinc/05/08/78/948050878.db2.gz JIAKBBWXMBTTHF-LBPRGKRZSA-N -1 1 385.403 1.487 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2)C(C)(C)C ZINC001573664363 948052490 /nfs/dbraw/zinc/05/24/90/948052490.db2.gz UNKAAIVUJGHYLV-QWHCGFSZSA-N -1 1 384.488 1.814 20 0 GDADMM Cc1onc(CC(=O)NC[C@H](O)c2ccc3ccccc3c2)c1-c1nnn[n-]1 ZINC000826347566 948055413 /nfs/dbraw/zinc/05/54/13/948055413.db2.gz VMCFTPDWEBYSGU-INIZCTEOSA-N -1 1 378.392 1.709 20 0 GDADMM Cc1onc(CC(=O)NC[C@H](O)c2ccc3ccccc3c2)c1-c1nn[n-]n1 ZINC000826347566 948055421 /nfs/dbraw/zinc/05/54/21/948055421.db2.gz VMCFTPDWEBYSGU-INIZCTEOSA-N -1 1 378.392 1.709 20 0 GDADMM Cc1onc(CC(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)c1-c1nnn[n-]1 ZINC000826347671 948058885 /nfs/dbraw/zinc/05/88/85/948058885.db2.gz ZIIDCBJSQVQJIV-RDTXWAMCSA-N -1 1 382.424 1.990 20 0 GDADMM Cc1onc(CC(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)c1-c1nn[n-]n1 ZINC000826347671 948058890 /nfs/dbraw/zinc/05/88/90/948058890.db2.gz ZIIDCBJSQVQJIV-RDTXWAMCSA-N -1 1 382.424 1.990 20 0 GDADMM Cc1onc(CC(=O)NCCc2cnn(-c3ccccc3)c2)c1-c1nnn[n-]1 ZINC000826348127 948066036 /nfs/dbraw/zinc/06/60/36/948066036.db2.gz VXRHCDGNBURPIH-UHFFFAOYSA-N -1 1 378.396 1.250 20 0 GDADMM Cc1onc(CC(=O)NCCc2cnn(-c3ccccc3)c2)c1-c1nn[n-]n1 ZINC000826348127 948066046 /nfs/dbraw/zinc/06/60/46/948066046.db2.gz VXRHCDGNBURPIH-UHFFFAOYSA-N -1 1 378.396 1.250 20 0 GDADMM Cc1onc(CC(=O)NCc2ccc(NC(=O)NC(C)C)cc2)c1-c1nnn[n-]1 ZINC000826348113 948066643 /nfs/dbraw/zinc/06/66/43/948066643.db2.gz VGHYBDBCHJABGD-UHFFFAOYSA-N -1 1 398.427 1.552 20 0 GDADMM Cc1onc(CC(=O)NCc2ccc(NC(=O)NC(C)C)cc2)c1-c1nn[n-]n1 ZINC000826348113 948066652 /nfs/dbraw/zinc/06/66/52/948066652.db2.gz VGHYBDBCHJABGD-UHFFFAOYSA-N -1 1 398.427 1.552 20 0 GDADMM Cc1onc(CC(=O)Nc2ccccc2NC(=O)N2CCCC2)c1-c1nnn[n-]1 ZINC000826349051 948088285 /nfs/dbraw/zinc/08/82/85/948088285.db2.gz RDYQUTHVVXNKMP-UHFFFAOYSA-N -1 1 396.411 1.972 20 0 GDADMM Cc1onc(CC(=O)Nc2ccccc2NC(=O)N2CCCC2)c1-c1nn[n-]n1 ZINC000826349051 948088291 /nfs/dbraw/zinc/08/82/91/948088291.db2.gz RDYQUTHVVXNKMP-UHFFFAOYSA-N -1 1 396.411 1.972 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)c1ccsc1 ZINC001573667371 948096698 /nfs/dbraw/zinc/09/66/98/948096698.db2.gz ZCNXQTZXBRKNRK-DGCLKSJQSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)c1ccsc1 ZINC001573667371 948096704 /nfs/dbraw/zinc/09/67/04/948096704.db2.gz ZCNXQTZXBRKNRK-DGCLKSJQSA-N -1 1 384.469 1.607 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2cccc(C(=O)OC(C)(C)C)c2)n1 ZINC000826357162 948111269 /nfs/dbraw/zinc/11/12/69/948111269.db2.gz UBSASZVLBPVGBR-UHFFFAOYSA-N -1 1 398.427 1.877 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2cccc(C(=O)OC(C)(C)C)c2)n1 ZINC000826357162 948111276 /nfs/dbraw/zinc/11/12/76/948111276.db2.gz UBSASZVLBPVGBR-UHFFFAOYSA-N -1 1 398.427 1.877 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1)C(C)(F)F ZINC001573673361 948113262 /nfs/dbraw/zinc/11/32/62/948113262.db2.gz KREOMTKRQIBLKU-BQBZGAKWSA-N -1 1 391.835 1.963 20 0 GDADMM C[C@H](C(=O)N[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C)C(C)(F)F ZINC001573680409 948179039 /nfs/dbraw/zinc/17/90/39/948179039.db2.gz PTLIBSKVMSDQLH-KOLCDFICSA-N -1 1 380.403 1.279 20 0 GDADMM C[C@H](C(=O)N[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C)C(C)(F)F ZINC001573680409 948179044 /nfs/dbraw/zinc/17/90/44/948179044.db2.gz PTLIBSKVMSDQLH-KOLCDFICSA-N -1 1 380.403 1.279 20 0 GDADMM C[C@H](C(=O)NC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1)c1ccsc1 ZINC001573680494 948181228 /nfs/dbraw/zinc/18/12/28/948181228.db2.gz OEQKRQYPBNBLSW-GXFFZTMASA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1)c1ccsc1 ZINC001573680494 948181231 /nfs/dbraw/zinc/18/12/31/948181231.db2.gz OEQKRQYPBNBLSW-GXFFZTMASA-N -1 1 384.469 1.829 20 0 GDADMM Nn1c(CSc2ccccc2)nnc1Sc1ccc(-c2nnn[n-]2)nn1 ZINC000826396892 948209895 /nfs/dbraw/zinc/20/98/95/948209895.db2.gz NPWCBGHITASNPN-UHFFFAOYSA-N -1 1 384.454 1.406 20 0 GDADMM Nn1c(CSc2ccccc2)nnc1Sc1ccc(-c2nn[n-]n2)nn1 ZINC000826396892 948209899 /nfs/dbraw/zinc/20/98/99/948209899.db2.gz NPWCBGHITASNPN-UHFFFAOYSA-N -1 1 384.454 1.406 20 0 GDADMM C[C@H](C(=O)NC[C@@]1(C)CN(c2ccnc(-c3nn[n-]n3)n2)CCO1)C(C)(C)C ZINC001573691111 948235995 /nfs/dbraw/zinc/23/59/95/948235995.db2.gz HNHQEENVLMNFCA-XIKOKIGWSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@@H](C(=O)NC[C@@H](O)CNc1nc(Cl)c(-c2nnn[n-]2)s1)C(C)(C)C ZINC001573692199 948259041 /nfs/dbraw/zinc/25/90/41/948259041.db2.gz NBBIORCRKFTMFM-JGVFFNPUSA-N -1 1 387.897 1.548 20 0 GDADMM C[C@@H](C(=O)NC[C@@H](O)CNc1nc(Cl)c(-c2nn[n-]n2)s1)C(C)(C)C ZINC001573692199 948259052 /nfs/dbraw/zinc/25/90/52/948259052.db2.gz NBBIORCRKFTMFM-JGVFFNPUSA-N -1 1 387.897 1.548 20 0 GDADMM C[C@H](C(=O)NCC1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cccs1 ZINC001573696080 948316742 /nfs/dbraw/zinc/31/67/42/948316742.db2.gz KVLPKLKYFCJFMW-UNXYVOJBSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NCC1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cccs1 ZINC001573696080 948316750 /nfs/dbraw/zinc/31/67/50/948316750.db2.gz KVLPKLKYFCJFMW-UNXYVOJBSA-N -1 1 384.469 1.829 20 0 GDADMM O=C(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826455560 948328403 /nfs/dbraw/zinc/32/84/03/948328403.db2.gz UKMODZMPLTTYNW-UHFFFAOYSA-N -1 1 398.326 1.808 20 0 GDADMM O=C(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826455560 948328413 /nfs/dbraw/zinc/32/84/13/948328413.db2.gz UKMODZMPLTTYNW-UHFFFAOYSA-N -1 1 398.326 1.808 20 0 GDADMM O=C(Nc1ccccc1Oc1ncccc1-c1nn[n-]n1)C(=O)N1CC=CCC1 ZINC000826457973 948335770 /nfs/dbraw/zinc/33/57/70/948335770.db2.gz XMPIJDHQEMLCMV-UHFFFAOYSA-N -1 1 391.391 1.781 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1)c1ccsc1 ZINC001573701609 948341282 /nfs/dbraw/zinc/34/12/82/948341282.db2.gz BJDORFDKBPJANB-WCQYABFASA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1)c1ccsc1 ZINC001573701609 948341290 /nfs/dbraw/zinc/34/12/90/948341290.db2.gz BJDORFDKBPJANB-WCQYABFASA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573703392 948354902 /nfs/dbraw/zinc/35/49/02/948354902.db2.gz JVPGTEKNLGFZJK-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C(=O)NC[C@H]1CCCN1c1nc(C)cc(-c2nnn[n-]2)n1)=C1CCCC1 ZINC001573704937 948387965 /nfs/dbraw/zinc/38/79/65/948387965.db2.gz UXEFCOOEWKIKIG-OAHLLOKOSA-N -1 1 382.472 1.941 20 0 GDADMM CC(C(=O)NC[C@H]1CCCN1c1nc(C)cc(-c2nn[n-]n2)n1)=C1CCCC1 ZINC001573704937 948387972 /nfs/dbraw/zinc/38/79/72/948387972.db2.gz UXEFCOOEWKIKIG-OAHLLOKOSA-N -1 1 382.472 1.941 20 0 GDADMM O=C1CCCC[C@H]1[C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826479696 948391464 /nfs/dbraw/zinc/39/14/64/948391464.db2.gz FYNBZCXEXYNUJY-WFASDCNBSA-N -1 1 393.444 1.918 20 0 GDADMM C[C@@H](C(=O)NCCC1(CNc2nccnc2-c2nnn[n-]2)CC1)n1cccc1 ZINC001573705192 948393622 /nfs/dbraw/zinc/39/36/22/948393622.db2.gz DFVDCIUNPQBUDW-ZDUSSCGKSA-N -1 1 381.444 1.418 20 0 GDADMM C[C@@H](C(=O)NCCC1(CNc2nccnc2-c2nn[n-]n2)CC1)n1cccc1 ZINC001573705192 948393625 /nfs/dbraw/zinc/39/36/25/948393625.db2.gz DFVDCIUNPQBUDW-ZDUSSCGKSA-N -1 1 381.444 1.418 20 0 GDADMM O=C1CCCc2cc(OS(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)ccc2N1 ZINC000826480904 948394597 /nfs/dbraw/zinc/39/45/97/948394597.db2.gz XDRXQTNVZKOGLZ-UHFFFAOYSA-N -1 1 386.393 1.304 20 0 GDADMM O=C1CCCc2cc(OS(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)ccc2N1 ZINC000826480904 948394605 /nfs/dbraw/zinc/39/46/05/948394605.db2.gz XDRXQTNVZKOGLZ-UHFFFAOYSA-N -1 1 386.393 1.304 20 0 GDADMM CC(=O)NCCN(Cc1ccc(C(=O)OCc2ccccc2)[nH]1)[C@@H](C)C(=O)[O-] ZINC001602758283 971476577 /nfs/dbraw/zinc/47/65/77/971476577.db2.gz AZACPKXEISBZSJ-AWEZNQCLSA-N -1 1 387.436 1.783 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1)C(C)(C)C ZINC001573705320 948398963 /nfs/dbraw/zinc/39/89/63/948398963.db2.gz DVSXHJWLNBDYTL-OLZOCXBDSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1)C(C)(C)C ZINC001573705320 948398969 /nfs/dbraw/zinc/39/89/69/948398969.db2.gz DVSXHJWLNBDYTL-OLZOCXBDSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C(=O)NC[C@@H]1COCCN1c1snc(C)c1-c1nn[n-]n1)=C1CCC1 ZINC001573706781 948424187 /nfs/dbraw/zinc/42/41/87/948424187.db2.gz LEWZCHRAKTYFOU-CYBMUJFWSA-N -1 1 389.485 1.453 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCC1(F)F)C1CC1 ZINC001573707169 948429990 /nfs/dbraw/zinc/42/99/90/948429990.db2.gz MUYDFROKSJXYPB-CMPLNLGQSA-N -1 1 392.414 1.281 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCC1(F)F)C1CC1 ZINC001573707169 948429997 /nfs/dbraw/zinc/42/99/97/948429997.db2.gz MUYDFROKSJXYPB-CMPLNLGQSA-N -1 1 392.414 1.281 20 0 GDADMM C[C@H](C(=O)NCC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C)C1CCC1 ZINC001573717869 948512961 /nfs/dbraw/zinc/51/29/61/948512961.db2.gz NXKSMCOTHFKSOG-VNHYZAJKSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1snc(Cl)c1-c1nnn[n-]1)[C@@H]1CCCO1 ZINC001573718084 948513943 /nfs/dbraw/zinc/51/39/43/948513943.db2.gz HQFCFMDYPDBTOW-BDAKNGLRSA-N -1 1 385.881 1.344 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1snc(Cl)c1-c1nn[n-]n1)[C@@H]1CCCO1 ZINC001573718084 948513949 /nfs/dbraw/zinc/51/39/49/948513949.db2.gz HQFCFMDYPDBTOW-BDAKNGLRSA-N -1 1 385.881 1.344 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1nc(-c2nn[n-]n2)c(Cl)s1)c1cccnc1 ZINC001573720237 948533001 /nfs/dbraw/zinc/53/30/01/948533001.db2.gz QBVGADMPQCUEGC-VIFPVBQESA-N -1 1 392.876 1.728 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1nc(Cl)c(-c2nnn[n-]2)s1)[C@@H]1CCCO1 ZINC001573721009 948535432 /nfs/dbraw/zinc/53/54/32/948535432.db2.gz UQQVTCYZAKQGHP-BDAKNGLRSA-N -1 1 385.881 1.344 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1nc(Cl)c(-c2nn[n-]n2)s1)[C@@H]1CCCO1 ZINC001573721009 948535440 /nfs/dbraw/zinc/53/54/40/948535440.db2.gz UQQVTCYZAKQGHP-BDAKNGLRSA-N -1 1 385.881 1.344 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)C(C)(F)F ZINC001573728697 948563458 /nfs/dbraw/zinc/56/34/58/948563458.db2.gz QMPFSWNUGHCYFB-OUAUKWLOSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573728697 948563465 /nfs/dbraw/zinc/56/34/65/948563465.db2.gz QMPFSWNUGHCYFB-OUAUKWLOSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccsc1 ZINC001573730522 948580391 /nfs/dbraw/zinc/58/03/91/948580391.db2.gz QKPRBCXVCPLNMR-GVXVVHGQSA-N -1 1 384.469 1.251 20 0 GDADMM C[C@H](C(=O)N[C@@H](C)CNc1nc(-c2nn[n-]n2)c(Cl)s1)n1cccc1 ZINC001573731161 948588787 /nfs/dbraw/zinc/58/87/87/948588787.db2.gz DZPAPLDYUKGIIB-DTWKUNHWSA-N -1 1 380.865 1.956 20 0 GDADMM C[C@@H](C(=O)NCc1ccc2c(c1)CN(c1ccnc(-c3nn[n-]n3)n1)C2)C1CC1 ZINC001573731798 948596005 /nfs/dbraw/zinc/59/60/05/948596005.db2.gz ZEINRHDOSRQYOH-GFCCVEGCSA-N -1 1 390.451 1.839 20 0 GDADMM C[C@@H](NC(=O)[C@H](C)C1CCC1)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573740188 948629412 /nfs/dbraw/zinc/62/94/12/948629412.db2.gz KNWAWVZIMPKDMD-CHWSQXEVSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](NC(=O)[C@H](C)C1CCC1)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573740188 948629415 /nfs/dbraw/zinc/62/94/15/948629415.db2.gz KNWAWVZIMPKDMD-CHWSQXEVSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1ccsc1 ZINC001573748973 948699182 /nfs/dbraw/zinc/69/91/82/948699182.db2.gz XUKYSOSYBSCHNR-GVXVVHGQSA-N -1 1 384.469 1.251 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001575221808 948751365 /nfs/dbraw/zinc/75/13/65/948751365.db2.gz CZXWDOKXUBUBRU-SNVBAGLBSA-N -1 1 378.387 1.177 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001575221808 948751370 /nfs/dbraw/zinc/75/13/70/948751370.db2.gz CZXWDOKXUBUBRU-SNVBAGLBSA-N -1 1 378.387 1.177 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001575221821 948753052 /nfs/dbraw/zinc/75/30/52/948753052.db2.gz DIDYGPORUQXCNA-AOOOYVTPSA-N -1 1 378.387 1.399 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001575221821 948753066 /nfs/dbraw/zinc/75/30/66/948753066.db2.gz DIDYGPORUQXCNA-AOOOYVTPSA-N -1 1 378.387 1.399 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1csc(Cl)c1 ZINC001574678470 948753775 /nfs/dbraw/zinc/75/37/75/948753775.db2.gz GARGFLACVARSSN-MRVPVSSYSA-N -1 1 378.849 1.992 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1csc(Cl)c1 ZINC001574678470 948753789 /nfs/dbraw/zinc/75/37/89/948753789.db2.gz GARGFLACVARSSN-MRVPVSSYSA-N -1 1 378.849 1.992 20 0 GDADMM CC(C)c1cccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(-c3nn[n-]n3)n2)c1 ZINC001574416665 948755237 /nfs/dbraw/zinc/75/52/37/948755237.db2.gz BYGPYSQICHVDBW-HOTGVXAUSA-N -1 1 390.451 1.883 20 0 GDADMM CC(C)c1cccc(C(=O)N(C)CCN(C)c2ccc(-c3nnn[n-]3)nn2)n1 ZINC001574416683 948755927 /nfs/dbraw/zinc/75/59/27/948755927.db2.gz DEQLNXBJBXOPHU-UHFFFAOYSA-N -1 1 381.444 1.384 20 0 GDADMM CC(C)c1cccc(C(=O)N(C)CCN(C)c2ccc(-c3nn[n-]n3)nn2)n1 ZINC001574416683 948755941 /nfs/dbraw/zinc/75/59/41/948755941.db2.gz DEQLNXBJBXOPHU-UHFFFAOYSA-N -1 1 381.444 1.384 20 0 GDADMM CC(C)c1cccc(C(=O)NC[C@H](C)N(C)c2ccc(-c3nnn[n-]3)nn2)n1 ZINC001574416702 948756274 /nfs/dbraw/zinc/75/62/74/948756274.db2.gz DVGQOLYDUCNNHC-LBPRGKRZSA-N -1 1 381.444 1.430 20 0 GDADMM CC(C)c1cccc(C(=O)NC[C@H](C)N(C)c2ccc(-c3nn[n-]n3)nn2)n1 ZINC001574416702 948756285 /nfs/dbraw/zinc/75/62/85/948756285.db2.gz DVGQOLYDUCNNHC-LBPRGKRZSA-N -1 1 381.444 1.430 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001575222731 948758103 /nfs/dbraw/zinc/75/81/03/948758103.db2.gz HYWOAQNSALWAOL-SNVBAGLBSA-N -1 1 378.387 1.035 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575222731 948758111 /nfs/dbraw/zinc/75/81/11/948758111.db2.gz HYWOAQNSALWAOL-SNVBAGLBSA-N -1 1 378.387 1.035 20 0 GDADMM C[C@@H](CNC(=O)CCc1ccccc1F)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574914869 948758070 /nfs/dbraw/zinc/75/80/70/948758070.db2.gz OGAYOPHKTCGOPV-LBPRGKRZSA-N -1 1 384.419 1.370 20 0 GDADMM C[C@@H](CNC(=O)CCc1ccccc1F)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574914869 948758081 /nfs/dbraw/zinc/75/80/81/948758081.db2.gz OGAYOPHKTCGOPV-LBPRGKRZSA-N -1 1 384.419 1.370 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)Cc1cccc(Cl)c1 ZINC001574678826 948758337 /nfs/dbraw/zinc/75/83/37/948758337.db2.gz JTDXXZOSFJEKGJ-LLVKDONJSA-N -1 1 386.847 1.860 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)Cc1cccc(Cl)c1 ZINC001574678826 948758345 /nfs/dbraw/zinc/75/83/45/948758345.db2.gz JTDXXZOSFJEKGJ-LLVKDONJSA-N -1 1 386.847 1.860 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccn(C(C)(C)C)n1 ZINC001574678808 948760948 /nfs/dbraw/zinc/76/09/48/948760948.db2.gz JBTICHWLGVITDN-LLVKDONJSA-N -1 1 384.448 1.229 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccn(C(C)(C)C)n1 ZINC001574678808 948760965 /nfs/dbraw/zinc/76/09/65/948760965.db2.gz JBTICHWLGVITDN-LLVKDONJSA-N -1 1 384.448 1.229 20 0 GDADMM CC(F)(F)CC(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CCCC1 ZINC001575223335 948765356 /nfs/dbraw/zinc/76/53/56/948765356.db2.gz AHURPIBCQKLUNR-GFCCVEGCSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CC(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CCCC1 ZINC001575223335 948765369 /nfs/dbraw/zinc/76/53/69/948765369.db2.gz AHURPIBCQKLUNR-GFCCVEGCSA-N -1 1 380.403 1.789 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1[nH]cnc1C(C)(C)C ZINC001574679080 948766872 /nfs/dbraw/zinc/76/68/72/948766872.db2.gz NCPYEMPEWUGKFI-JTQLQIEISA-N -1 1 384.448 1.298 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1[nH]cnc1C(C)(C)C ZINC001574679080 948766890 /nfs/dbraw/zinc/76/68/90/948766890.db2.gz NCPYEMPEWUGKFI-JTQLQIEISA-N -1 1 384.448 1.298 20 0 GDADMM CC(C)[C@H](NC(=O)NCc1nc(-c2nnn[n-]2)cs1)c1nc(C2CC2)no1 ZINC001574079537 948771991 /nfs/dbraw/zinc/77/19/91/948771991.db2.gz JVMIHVGAJPUEMB-NSHDSACASA-N -1 1 389.445 1.780 20 0 GDADMM CC(C)[C@H](NC(=O)NCc1nc(-c2nn[n-]n2)cs1)c1nc(C2CC2)no1 ZINC001574079537 948772008 /nfs/dbraw/zinc/77/20/08/948772008.db2.gz JVMIHVGAJPUEMB-NSHDSACASA-N -1 1 389.445 1.780 20 0 GDADMM C[C@H](CNC(=O)CCc1cccnc1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574915981 948773431 /nfs/dbraw/zinc/77/34/31/948773431.db2.gz ZYSKMAQXCSWRSX-SECBINFHSA-N -1 1 392.876 1.921 20 0 GDADMM C[C@@H](C(=O)Nc1nccc(-c2ccc(F)c(F)c2)n1)n1cnc(-c2nn[n-]n2)n1 ZINC001573755646 948775306 /nfs/dbraw/zinc/77/53/06/948775306.db2.gz RRAHCHMFXFWBCL-QMMMGPOBSA-N -1 1 398.337 1.393 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001575223999 948777303 /nfs/dbraw/zinc/77/73/03/948777303.db2.gz SKDAPZGZLMQLBS-SNVBAGLBSA-N -1 1 378.387 1.495 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001575223999 948777313 /nfs/dbraw/zinc/77/73/13/948777313.db2.gz SKDAPZGZLMQLBS-SNVBAGLBSA-N -1 1 378.387 1.495 20 0 GDADMM CC(C)c1cccc(C(=O)NCC2(Nc3cncc(-c4nnn[n-]4)n3)CC2)n1 ZINC001574418615 948779873 /nfs/dbraw/zinc/77/98/73/948779873.db2.gz ZAPCGBWCOZCKNC-UHFFFAOYSA-N -1 1 379.428 1.550 20 0 GDADMM CC(C)c1cccc(C(=O)NCC2(Nc3cncc(-c4nn[n-]n4)n3)CC2)n1 ZINC001574418615 948779889 /nfs/dbraw/zinc/77/98/89/948779889.db2.gz ZAPCGBWCOZCKNC-UHFFFAOYSA-N -1 1 379.428 1.550 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H](C)c1cccc(F)c1 ZINC001574679406 948780992 /nfs/dbraw/zinc/78/09/92/948780992.db2.gz UUOYLYKUECNOFP-RYUDHWBXSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)c1cccc(F)c1 ZINC001574679406 948780995 /nfs/dbraw/zinc/78/09/95/948780995.db2.gz UUOYLYKUECNOFP-RYUDHWBXSA-N -1 1 384.419 1.906 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@@H]2[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]32)n1 ZINC001574419585 948784708 /nfs/dbraw/zinc/78/47/08/948784708.db2.gz FNMRVARIEASCBX-ATCWAGBWSA-N -1 1 391.439 1.040 20 0 GDADMM CC(C)c1ccccc1C(=O)N(C)CCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574419375 948784896 /nfs/dbraw/zinc/78/48/96/948784896.db2.gz DSFLPLQFLJUWSA-UHFFFAOYSA-N -1 1 380.456 1.989 20 0 GDADMM CC(C)c1ccccc1C(=O)N(C)CCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574419375 948784900 /nfs/dbraw/zinc/78/49/00/948784900.db2.gz DSFLPLQFLJUWSA-UHFFFAOYSA-N -1 1 380.456 1.989 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccc(N(C)C)cc1 ZINC001574679900 948792376 /nfs/dbraw/zinc/79/23/76/948792376.db2.gz BDFYAZZXINSKBC-GFCCVEGCSA-N -1 1 381.444 1.343 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccc(N(C)C)cc1 ZINC001574679900 948792380 /nfs/dbraw/zinc/79/23/80/948792380.db2.gz BDFYAZZXINSKBC-GFCCVEGCSA-N -1 1 381.444 1.343 20 0 GDADMM CC(F)(F)C1(C(=O)NC2CCC(Nc3nccnc3-c3nnn[n-]3)CC2)CC1 ZINC001575224806 948794042 /nfs/dbraw/zinc/79/40/42/948794042.db2.gz ZGRRACSAZBHREK-UHFFFAOYSA-N -1 1 392.414 1.931 20 0 GDADMM CC(F)(F)C1(C(=O)NC2CCC(Nc3nccnc3-c3nn[n-]n3)CC2)CC1 ZINC001575224806 948794059 /nfs/dbraw/zinc/79/40/59/948794059.db2.gz ZGRRACSAZBHREK-UHFFFAOYSA-N -1 1 392.414 1.931 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)CC[C@H]1CC(C)(C)CO1 ZINC001574680099 948799479 /nfs/dbraw/zinc/79/94/79/948799479.db2.gz DGYRZEZRMITSPP-OLZOCXBDSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)CC[C@H]1CC(C)(C)CO1 ZINC001574680099 948799492 /nfs/dbraw/zinc/79/94/92/948799492.db2.gz DGYRZEZRMITSPP-OLZOCXBDSA-N -1 1 388.476 1.559 20 0 GDADMM CC(F)(F)CC(=O)N1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)CC1 ZINC001575225224 948801811 /nfs/dbraw/zinc/80/18/11/948801811.db2.gz XVTPCHQTXPZNDW-UHFFFAOYSA-N -1 1 377.808 1.671 20 0 GDADMM CC(F)(F)CC(=O)N1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)CC1 ZINC001575225224 948801822 /nfs/dbraw/zinc/80/18/22/948801822.db2.gz XVTPCHQTXPZNDW-UHFFFAOYSA-N -1 1 377.808 1.671 20 0 GDADMM CC(C)c1ccoc1C(=O)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001574421383 948820211 /nfs/dbraw/zinc/82/02/11/948820211.db2.gz JXHSZFXTHOWXNZ-UHFFFAOYSA-N -1 1 382.428 1.726 20 0 GDADMM CC(C)c1ccoc1C(=O)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001574421383 948820232 /nfs/dbraw/zinc/82/02/32/948820232.db2.gz JXHSZFXTHOWXNZ-UHFFFAOYSA-N -1 1 382.428 1.726 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cc2n(c1)CCCC2 ZINC001574682158 948827159 /nfs/dbraw/zinc/82/71/59/948827159.db2.gz PELDMCJFUVUEBW-LBPRGKRZSA-N -1 1 381.444 1.415 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cc2n(c1)CCCC2 ZINC001574682158 948827177 /nfs/dbraw/zinc/82/71/77/948827177.db2.gz PELDMCJFUVUEBW-LBPRGKRZSA-N -1 1 381.444 1.415 20 0 GDADMM C[C@@H](CNC(=O)CCCc1ccccc1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574918009 948832870 /nfs/dbraw/zinc/83/28/70/948832870.db2.gz FMLZVGQERFYVPQ-CQSZACIVSA-N -1 1 380.456 1.844 20 0 GDADMM C[C@@H](CNC(=O)CCCc1ccccc1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574918009 948832882 /nfs/dbraw/zinc/83/28/82/948832882.db2.gz FMLZVGQERFYVPQ-CQSZACIVSA-N -1 1 380.456 1.844 20 0 GDADMM C[C@@H](CNC(=O)CCCc1cccs1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574918776 948858342 /nfs/dbraw/zinc/85/83/42/948858342.db2.gz QBQUYUQBPJVQAG-LBPRGKRZSA-N -1 1 386.485 1.682 20 0 GDADMM CC(C)c1nc(C(=O)N(C)[C@H](C)CNc2cnc(-c3nnn[n-]3)cn2)cs1 ZINC001574424770 948862275 /nfs/dbraw/zinc/86/22/75/948862275.db2.gz UVQDXBBPSLDZNT-SNVBAGLBSA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)c1nc(C(=O)N(C)[C@H](C)CNc2cnc(-c3nn[n-]n3)cn2)cs1 ZINC001574424770 948862292 /nfs/dbraw/zinc/86/22/92/948862292.db2.gz UVQDXBBPSLDZNT-SNVBAGLBSA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)c1ccsc1C(=O)NC[C@@H](CO)Nc1nccnc1-c1nnn[n-]1 ZINC001574424773 948863496 /nfs/dbraw/zinc/86/34/96/948863496.db2.gz UXVWAIHIQQRBKD-JTQLQIEISA-N -1 1 388.457 1.044 20 0 GDADMM CC(C)c1ccsc1C(=O)NC[C@@H](CO)Nc1nccnc1-c1nn[n-]n1 ZINC001574424773 948863519 /nfs/dbraw/zinc/86/35/19/948863519.db2.gz UXVWAIHIQQRBKD-JTQLQIEISA-N -1 1 388.457 1.044 20 0 GDADMM CC(C)(C(=O)N1CC[C@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1)C1CC1 ZINC001573763152 948865728 /nfs/dbraw/zinc/86/57/28/948865728.db2.gz CAVPVDWCOBSHGY-IBGZPJMESA-N -1 1 382.472 1.522 20 0 GDADMM CC(C)(C(=O)N1CC[C@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1)C1CC1 ZINC001573763152 948865749 /nfs/dbraw/zinc/86/57/49/948865749.db2.gz CAVPVDWCOBSHGY-IBGZPJMESA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H](CNC(=O)CCCc1ccccc1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574919360 948872946 /nfs/dbraw/zinc/87/29/46/948872946.db2.gz XMGHGFRSCXMQLC-CQSZACIVSA-N -1 1 380.456 1.621 20 0 GDADMM C[C@H](CNC(=O)CCCc1ccccc1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574919360 948872960 /nfs/dbraw/zinc/87/29/60/948872960.db2.gz XMGHGFRSCXMQLC-CQSZACIVSA-N -1 1 380.456 1.621 20 0 GDADMM CC(C)(C(=O)N1CC[C@H]2[C@@H](CCN2c2cnc(-c3nnn[n-]3)cn2)C1)C1CC1 ZINC001573764273 948884887 /nfs/dbraw/zinc/88/48/87/948884887.db2.gz LHFNIQXQHWAOFQ-WFASDCNBSA-N -1 1 382.472 1.520 20 0 GDADMM CC(C)(C(=O)N1CC[C@H]2[C@@H](CCN2c2cnc(-c3nn[n-]n3)cn2)C1)C1CC1 ZINC001573764273 948884905 /nfs/dbraw/zinc/88/49/05/948884905.db2.gz LHFNIQXQHWAOFQ-WFASDCNBSA-N -1 1 382.472 1.520 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H]2[C@H](CCN2c2cnc(-c3nnn[n-]3)cn2)C1)C1CC1 ZINC001573764090 948885609 /nfs/dbraw/zinc/88/56/09/948885609.db2.gz LHFNIQXQHWAOFQ-IUODEOHRSA-N -1 1 382.472 1.520 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H]2[C@H](CCN2c2cnc(-c3nn[n-]n3)cn2)C1)C1CC1 ZINC001573764090 948885625 /nfs/dbraw/zinc/88/56/25/948885625.db2.gz LHFNIQXQHWAOFQ-IUODEOHRSA-N -1 1 382.472 1.520 20 0 GDADMM CC(C)c1nc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)[C@@H]2C)cs1 ZINC001574426422 948890006 /nfs/dbraw/zinc/89/00/06/948890006.db2.gz RNYOAGXCWZBIAB-MNOVXSKESA-N -1 1 399.484 1.634 20 0 GDADMM CC(F)(F)CC(=O)NC[C@]1(C)CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575233793 948890709 /nfs/dbraw/zinc/89/07/09/948890709.db2.gz LVDSQMMAIQEAAC-HNNXBMFYSA-N -1 1 380.403 1.425 20 0 GDADMM CC(F)(F)CC(=O)NC[C@]1(C)CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575233793 948890723 /nfs/dbraw/zinc/89/07/23/948890723.db2.gz LVDSQMMAIQEAAC-HNNXBMFYSA-N -1 1 380.403 1.425 20 0 GDADMM CC(C)(C(=O)N1CC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1)C1CC1 ZINC001573765212 948902696 /nfs/dbraw/zinc/90/26/96/948902696.db2.gz WSRBTUYIFAEIOX-LJQANCHMSA-N -1 1 382.472 1.522 20 0 GDADMM CC(C)(C(=O)N1CC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1)C1CC1 ZINC001573765212 948902709 /nfs/dbraw/zinc/90/27/09/948902709.db2.gz WSRBTUYIFAEIOX-LJQANCHMSA-N -1 1 382.472 1.522 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)s1 ZINC001574427388 948903398 /nfs/dbraw/zinc/90/33/98/948903398.db2.gz DITNWMNHSZDNBS-AOOOYVTPSA-N -1 1 385.457 1.610 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)s1 ZINC001574427388 948903409 /nfs/dbraw/zinc/90/34/09/948903409.db2.gz DITNWMNHSZDNBS-AOOOYVTPSA-N -1 1 385.457 1.610 20 0 GDADMM CC(C)(C(=O)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C1CCC1 ZINC001573765379 948904672 /nfs/dbraw/zinc/90/46/72/948904672.db2.gz AQFSUSUICKARDE-ZDUSSCGKSA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)(C(=O)N1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C1CCC1 ZINC001573765379 948904686 /nfs/dbraw/zinc/90/46/86/948904686.db2.gz AQFSUSUICKARDE-ZDUSSCGKSA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)NCC1(C)CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574088044 948906787 /nfs/dbraw/zinc/90/67/87/948906787.db2.gz ABKZDEHIOGMTGK-ZIAGYGMSSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)NCC1(C)CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574088044 948906793 /nfs/dbraw/zinc/90/67/93/948906793.db2.gz ABKZDEHIOGMTGK-ZIAGYGMSSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)(C(=O)N1CC[C@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1)C(F)F ZINC001573765331 948907191 /nfs/dbraw/zinc/90/71/91/948907191.db2.gz YSLDAWPYYBJQMC-KRWDZBQOSA-N -1 1 392.414 1.377 20 0 GDADMM CC(C)(C(=O)N1CC[C@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1)C(F)F ZINC001573765331 948907198 /nfs/dbraw/zinc/90/71/98/948907198.db2.gz YSLDAWPYYBJQMC-KRWDZBQOSA-N -1 1 392.414 1.377 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@](C)(CNc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001575234831 948908766 /nfs/dbraw/zinc/90/87/66/948908766.db2.gz GYUJWLQDSONGLV-HNNXBMFYSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@](C)(CNc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001575234831 948908786 /nfs/dbraw/zinc/90/87/86/948908786.db2.gz GYUJWLQDSONGLV-HNNXBMFYSA-N -1 1 380.403 1.789 20 0 GDADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)C[C@@H]1CCCO1 ZINC001574685660 948915006 /nfs/dbraw/zinc/91/50/06/948915006.db2.gz YOMOGAWZUDFUNB-IUCAKERBSA-N -1 1 385.881 1.852 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@](C)(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001575235787 948926040 /nfs/dbraw/zinc/92/60/40/948926040.db2.gz QKSCLYYKIAITJF-OAHLLOKOSA-N -1 1 380.403 1.743 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@](C)(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001575235787 948926051 /nfs/dbraw/zinc/92/60/51/948926051.db2.gz QKSCLYYKIAITJF-OAHLLOKOSA-N -1 1 380.403 1.743 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@@H]2[C@H](CCN2c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575235939 948931502 /nfs/dbraw/zinc/93/15/02/948931502.db2.gz SSNKWCQSDZADPA-DGCLKSJQSA-N -1 1 392.414 1.519 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@@H]2[C@H](CCN2c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575235939 948931527 /nfs/dbraw/zinc/93/15/27/948931527.db2.gz SSNKWCQSDZADPA-DGCLKSJQSA-N -1 1 392.414 1.519 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@H]2[C@H](CCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001575236070 948934502 /nfs/dbraw/zinc/93/45/02/948934502.db2.gz UXEQMQOLPZCKKI-NEPJUHHUSA-N -1 1 392.414 1.519 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@H]2[C@H](CCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001575236070 948934520 /nfs/dbraw/zinc/93/45/20/948934520.db2.gz UXEQMQOLPZCKKI-NEPJUHHUSA-N -1 1 392.414 1.519 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC[C@H]2[C@@H]1CCN2c1nccnc1-c1nnn[n-]1 ZINC001575236123 948935637 /nfs/dbraw/zinc/93/56/37/948935637.db2.gz WHRUFJAJXPGMLK-RYUDHWBXSA-N -1 1 392.414 1.662 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC[C@H]2[C@@H]1CCN2c1nccnc1-c1nn[n-]n1 ZINC001575236123 948935653 /nfs/dbraw/zinc/93/56/53/948935653.db2.gz WHRUFJAJXPGMLK-RYUDHWBXSA-N -1 1 392.414 1.662 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC001575236242 948938129 /nfs/dbraw/zinc/93/81/29/948938129.db2.gz YPSTWZGMZBFBLC-CHWSQXEVSA-N -1 1 392.414 1.662 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC001575236242 948938147 /nfs/dbraw/zinc/93/81/47/948938147.db2.gz YPSTWZGMZBFBLC-CHWSQXEVSA-N -1 1 392.414 1.662 20 0 GDADMM CC(C)[C@@]1(C)C[C@H]1C(=O)NC1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574089372 948957731 /nfs/dbraw/zinc/95/77/31/948957731.db2.gz JPHFAIODFDLSAQ-ORAYPTAESA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C12CCC2)C1CC1 ZINC001573772555 948962618 /nfs/dbraw/zinc/96/26/18/948962618.db2.gz UUTFXQDUJJRTCQ-KGLIPLIRSA-N -1 1 382.472 1.932 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C12CCC2)C1CC1 ZINC001573772555 948962627 /nfs/dbraw/zinc/96/26/27/948962627.db2.gz UUTFXQDUJJRTCQ-KGLIPLIRSA-N -1 1 382.472 1.932 20 0 GDADMM CC(C)[C@@]1(C)C[C@H]1C(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001574090176 948976713 /nfs/dbraw/zinc/97/67/13/948976713.db2.gz LRTJOASRGREQKF-SSHHRWTQSA-N -1 1 382.472 1.234 20 0 GDADMM CC(C)[C@@]1(C)C[C@H]1C(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001574090176 948976721 /nfs/dbraw/zinc/97/67/21/948976721.db2.gz LRTJOASRGREQKF-SSHHRWTQSA-N -1 1 382.472 1.234 20 0 GDADMM CC(C)[C@@H]1C[C@@H](C(=O)NCC2(Nc3cnc(-c4nnn[n-]4)cn3)CC2)CCO1 ZINC001574090366 948988593 /nfs/dbraw/zinc/98/85/93/948988593.db2.gz IYTCEFBQFKULLX-JSGCOSHPSA-N -1 1 386.460 1.169 20 0 GDADMM CC(C)[C@@H]1C[C@@H](C(=O)NCC2(Nc3cnc(-c4nn[n-]n4)cn3)CC2)CCO1 ZINC001574090366 948988609 /nfs/dbraw/zinc/98/86/09/948988609.db2.gz IYTCEFBQFKULLX-JSGCOSHPSA-N -1 1 386.460 1.169 20 0 GDADMM CC(C)c1nnsc1C(=O)N(C)[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574440078 949024303 /nfs/dbraw/zinc/02/43/03/949024303.db2.gz MNQRNMPNBIECHP-VIFPVBQESA-N -1 1 388.461 1.204 20 0 GDADMM CC(C)c1nnsc1C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574440078 949024323 /nfs/dbraw/zinc/02/43/23/949024323.db2.gz MNQRNMPNBIECHP-VIFPVBQESA-N -1 1 388.461 1.204 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(F)F ZINC001573779034 949052149 /nfs/dbraw/zinc/05/21/49/949052149.db2.gz DBFJVRITVGAVSD-SNVBAGLBSA-N -1 1 380.403 1.281 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(F)F ZINC001573779034 949052170 /nfs/dbraw/zinc/05/21/70/949052170.db2.gz DBFJVRITVGAVSD-SNVBAGLBSA-N -1 1 380.403 1.281 20 0 GDADMM CC(C)[C@H]1C[C@@H](CC(=O)N(C)CCNc2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC001574092305 949053954 /nfs/dbraw/zinc/05/39/54/949053954.db2.gz NOWZLGJTDNSNRI-DZGCQCFKSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)[C@H]1C[C@@H](CC(=O)N(C)CCNc2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC001574092305 949053981 /nfs/dbraw/zinc/05/39/81/949053981.db2.gz NOWZLGJTDNSNRI-DZGCQCFKSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574441446 949057113 /nfs/dbraw/zinc/05/71/13/949057113.db2.gz KVQVNYVDDGVSCD-PHIMTYICSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574441446 949057131 /nfs/dbraw/zinc/05/71/31/949057131.db2.gz KVQVNYVDDGVSCD-PHIMTYICSA-N -1 1 383.416 1.389 20 0 GDADMM C[C@@H](NC(=O)C(=O)C(C)(C)C)[C@@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001575248308 949069529 /nfs/dbraw/zinc/06/95/29/949069529.db2.gz QPJCMBDWOOLJRY-RNFRBKRXSA-N -1 1 385.881 1.897 20 0 GDADMM C[C@@H](NC(=O)C(=O)C(C)(C)C)[C@@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575248308 949069551 /nfs/dbraw/zinc/06/95/51/949069551.db2.gz QPJCMBDWOOLJRY-RNFRBKRXSA-N -1 1 385.881 1.897 20 0 GDADMM CC(C)c1occc1C(=O)N(C)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001574441758 949072027 /nfs/dbraw/zinc/07/20/27/949072027.db2.gz WCWCFEWIUGYYFG-LBPRGKRZSA-N -1 1 382.428 1.724 20 0 GDADMM CC(C)c1occc1C(=O)N(C)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001574441758 949072030 /nfs/dbraw/zinc/07/20/30/949072030.db2.gz WCWCFEWIUGYYFG-LBPRGKRZSA-N -1 1 382.428 1.724 20 0 GDADMM C[C@@H](NC(=O)C1(C(F)F)CC1)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575249029 949082961 /nfs/dbraw/zinc/08/29/61/949082961.db2.gz AOWOFMLVYREAGY-MNOVXSKESA-N -1 1 392.414 1.423 20 0 GDADMM C[C@@H](NC(=O)C1(C(F)F)CC1)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575249029 949082976 /nfs/dbraw/zinc/08/29/76/949082976.db2.gz AOWOFMLVYREAGY-MNOVXSKESA-N -1 1 392.414 1.423 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccccc1 ZINC001573780365 949087998 /nfs/dbraw/zinc/08/79/98/949087998.db2.gz XGDQPDYDANBOSS-AWEZNQCLSA-N -1 1 392.467 1.577 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccccc1 ZINC001573780365 949088019 /nfs/dbraw/zinc/08/80/19/949088019.db2.gz XGDQPDYDANBOSS-AWEZNQCLSA-N -1 1 392.467 1.577 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001573780307 949089083 /nfs/dbraw/zinc/08/90/83/949089083.db2.gz VTFXJQKWDWHBKE-CQSZACIVSA-N -1 1 392.467 1.577 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001573780307 949089100 /nfs/dbraw/zinc/08/91/00/949089100.db2.gz VTFXJQKWDWHBKE-CQSZACIVSA-N -1 1 392.467 1.577 20 0 GDADMM CC(C)[C@]1(C)C[C@@H]1C(=O)N1CCC(N(C)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574093050 949093346 /nfs/dbraw/zinc/09/33/46/949093346.db2.gz VXKYSAGPQSRPSY-KUHUBIRLSA-N -1 1 384.488 1.766 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)C(F)F ZINC001573780404 949095576 /nfs/dbraw/zinc/09/55/76/949095576.db2.gz YGZNJFOQIWZMMN-SNVBAGLBSA-N -1 1 380.403 1.281 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)C(F)F ZINC001573780404 949095593 /nfs/dbraw/zinc/09/55/93/949095593.db2.gz YGZNJFOQIWZMMN-SNVBAGLBSA-N -1 1 380.403 1.281 20 0 GDADMM C[C@@H](NC(=O)C1(C(F)F)CC1)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575249425 949098973 /nfs/dbraw/zinc/09/89/73/949098973.db2.gz BSMZFAHLPUPSRL-MNOVXSKESA-N -1 1 392.414 1.423 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001574442782 949105467 /nfs/dbraw/zinc/10/54/67/949105467.db2.gz UPVUDKCGGFJSJW-GFCCVEGCSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001574442782 949105482 /nfs/dbraw/zinc/10/54/82/949105482.db2.gz UPVUDKCGGFJSJW-GFCCVEGCSA-N -1 1 383.416 1.389 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1coc(C(C)(C)C)n1 ZINC001574695389 949107338 /nfs/dbraw/zinc/10/73/38/949107338.db2.gz GUUMGZMVFDIDFS-SNVBAGLBSA-N -1 1 385.432 1.563 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1coc(C(C)(C)C)n1 ZINC001574695389 949107350 /nfs/dbraw/zinc/10/73/50/949107350.db2.gz GUUMGZMVFDIDFS-SNVBAGLBSA-N -1 1 385.432 1.563 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)C1CC1)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575250969 949121174 /nfs/dbraw/zinc/12/11/74/949121174.db2.gz JLSVRABZCGVISY-CHWSQXEVSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)C1CC1)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575250969 949121191 /nfs/dbraw/zinc/12/11/91/949121191.db2.gz JLSVRABZCGVISY-CHWSQXEVSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1C[C@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC001602793058 971552978 /nfs/dbraw/zinc/55/29/78/971552978.db2.gz OPCSOYCSPFUQMS-BPLDGKMQSA-N -1 1 399.451 1.036 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccc(C(F)F)o1 ZINC001574696634 949139434 /nfs/dbraw/zinc/13/94/34/949139434.db2.gz SSEKSWYWSLUSMC-MRVPVSSYSA-N -1 1 378.343 1.808 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccc(C(F)F)o1 ZINC001574696634 949139442 /nfs/dbraw/zinc/13/94/42/949139442.db2.gz SSEKSWYWSLUSMC-MRVPVSSYSA-N -1 1 378.343 1.808 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)c1ccccc1)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575251463 949142321 /nfs/dbraw/zinc/14/23/21/949142321.db2.gz NMAQBNLYAATFGZ-CHWSQXEVSA-N -1 1 380.456 1.362 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCCCC1 ZINC001574094626 949142528 /nfs/dbraw/zinc/14/25/28/949142528.db2.gz YZPGAIHNJRJYQX-KBPBESRZSA-N -1 1 384.488 1.602 20 0 GDADMM CC(C)[C@H]1C[C@H](CC(=O)N(C)CCNc2nccnc2-c2nnn[n-]2)CCO1 ZINC001574094926 949145762 /nfs/dbraw/zinc/14/57/62/949145762.db2.gz WWBKWQVGRCCVNC-ZIAGYGMSSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)[C@H]1C[C@H](CC(=O)N(C)CCNc2nccnc2-c2nn[n-]n2)CCO1 ZINC001574094926 949145776 /nfs/dbraw/zinc/14/57/76/949145776.db2.gz WWBKWQVGRCCVNC-ZIAGYGMSSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H](C)Cc1ccccc1 ZINC001574696873 949146812 /nfs/dbraw/zinc/14/68/12/949146812.db2.gz WJDAEYYARAHWKT-ZIAGYGMSSA-N -1 1 380.456 1.842 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H](C)Cc1ccccc1 ZINC001574696873 949146821 /nfs/dbraw/zinc/14/68/21/949146821.db2.gz WJDAEYYARAHWKT-ZIAGYGMSSA-N -1 1 380.456 1.842 20 0 GDADMM C[C@@H](NC(=O)C1(CF)CCC1)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575251778 949149043 /nfs/dbraw/zinc/14/90/43/949149043.db2.gz CRMSOPJEGUFWSV-CHWSQXEVSA-N -1 1 388.451 1.518 20 0 GDADMM C[C@@H](NC(=O)C1(CF)CCC1)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575251778 949149054 /nfs/dbraw/zinc/14/90/54/949149054.db2.gz CRMSOPJEGUFWSV-CHWSQXEVSA-N -1 1 388.451 1.518 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H](C)Oc1ccccc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574697496 949153788 /nfs/dbraw/zinc/15/37/88/949153788.db2.gz AJXNCOJAKJECML-CHWSQXEVSA-N -1 1 382.428 1.383 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H](C)Oc1ccccc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574697496 949153799 /nfs/dbraw/zinc/15/37/99/949153799.db2.gz AJXNCOJAKJECML-CHWSQXEVSA-N -1 1 382.428 1.383 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001574447478 949161013 /nfs/dbraw/zinc/16/10/13/949161013.db2.gz PKYPMXXZMWNSAX-GFCCVEGCSA-N -1 1 385.432 1.635 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001574447478 949161025 /nfs/dbraw/zinc/16/10/25/949161025.db2.gz PKYPMXXZMWNSAX-GFCCVEGCSA-N -1 1 385.432 1.635 20 0 GDADMM CC(C)c1oncc1C(=O)NC1CC(CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574448181 949180120 /nfs/dbraw/zinc/18/01/20/949180120.db2.gz FCEFILBMGVBTMJ-UHFFFAOYSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1oncc1C(=O)NC1CC(CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574448181 949180132 /nfs/dbraw/zinc/18/01/32/949180132.db2.gz FCEFILBMGVBTMJ-UHFFFAOYSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1oncc1C(=O)N1CC[C@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574448200 949181481 /nfs/dbraw/zinc/18/14/81/949181481.db2.gz FXMNBKVDDVVVGG-NSHDSACASA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1oncc1C(=O)N1CC[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574448200 949181491 /nfs/dbraw/zinc/18/14/91/949181491.db2.gz FXMNBKVDDVVVGG-NSHDSACASA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1oncc1C(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574448305 949183067 /nfs/dbraw/zinc/18/30/67/949183067.db2.gz HRPMEDQVFGHHLH-LLVKDONJSA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1oncc1C(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574448305 949183082 /nfs/dbraw/zinc/18/30/82/949183082.db2.gz HRPMEDQVFGHHLH-LLVKDONJSA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1oncc1C(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001574448368 949185989 /nfs/dbraw/zinc/18/59/89/949185989.db2.gz JOJJEOVRLFXKJX-GFCCVEGCSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1oncc1C(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001574448368 949186001 /nfs/dbraw/zinc/18/60/01/949186001.db2.gz JOJJEOVRLFXKJX-GFCCVEGCSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1oncc1C(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001574448344 949186250 /nfs/dbraw/zinc/18/62/50/949186250.db2.gz JCMKUMZTIKXCLM-GFCCVEGCSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1oncc1C(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001574448344 949186265 /nfs/dbraw/zinc/18/62/65/949186265.db2.gz JCMKUMZTIKXCLM-GFCCVEGCSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1oncc1C(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001574448345 949186308 /nfs/dbraw/zinc/18/63/08/949186308.db2.gz JCMKUMZTIKXCLM-LBPRGKRZSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1oncc1C(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001574448345 949186323 /nfs/dbraw/zinc/18/63/23/949186323.db2.gz JCMKUMZTIKXCLM-LBPRGKRZSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1oncc1C(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574450272 949204819 /nfs/dbraw/zinc/20/48/19/949204819.db2.gz YIRQRURKCOCRGH-NSHDSACASA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1oncc1C(=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574450272 949204836 /nfs/dbraw/zinc/20/48/36/949204836.db2.gz YIRQRURKCOCRGH-NSHDSACASA-N -1 1 383.416 1.485 20 0 GDADMM C[C@H](NC(=O)C(C)(C)C1CC1)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575254771 949218274 /nfs/dbraw/zinc/21/82/74/949218274.db2.gz XRIHAFMSPCKHCJ-QWHCGFSZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](NC(=O)C(C)(C)C1CC1)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575254771 949218300 /nfs/dbraw/zinc/21/83/00/949218300.db2.gz XRIHAFMSPCKHCJ-QWHCGFSZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(Cl)s1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574936811 949220853 /nfs/dbraw/zinc/22/08/53/949220853.db2.gz LCATUKZZWHGFHU-VIFPVBQESA-N -1 1 392.876 1.555 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(Cl)s1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574936811 949220871 /nfs/dbraw/zinc/22/08/71/949220871.db2.gz LCATUKZZWHGFHU-VIFPVBQESA-N -1 1 392.876 1.555 20 0 GDADMM C[C@H](CNC(=O)Cc1c(F)cccc1F)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574937311 949223996 /nfs/dbraw/zinc/22/39/96/949223996.db2.gz OFGAXYHLKCIIEJ-JTQLQIEISA-N -1 1 388.382 1.342 20 0 GDADMM C[C@H](CNC(=O)Cc1c(F)cccc1F)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574937311 949224016 /nfs/dbraw/zinc/22/40/16/949224016.db2.gz OFGAXYHLKCIIEJ-JTQLQIEISA-N -1 1 388.382 1.342 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574451288 949225586 /nfs/dbraw/zinc/22/55/86/949225586.db2.gz KYBOWZXRXNJYFX-LLVKDONJSA-N -1 1 383.416 1.024 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574451288 949225605 /nfs/dbraw/zinc/22/56/05/949225605.db2.gz KYBOWZXRXNJYFX-LLVKDONJSA-N -1 1 383.416 1.024 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(F)c(F)c1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574938105 949233957 /nfs/dbraw/zinc/23/39/57/949233957.db2.gz SAIRCRXWGWNFKG-JTQLQIEISA-N -1 1 388.382 1.342 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(F)c(F)c1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574938105 949233986 /nfs/dbraw/zinc/23/39/86/949233986.db2.gz SAIRCRXWGWNFKG-JTQLQIEISA-N -1 1 388.382 1.342 20 0 GDADMM CC1(Nc2ccc(-c3nnn[n-]3)nn2)CCN(C(=O)Cc2cccs2)CC1 ZINC001575854652 949237669 /nfs/dbraw/zinc/23/76/69/949237669.db2.gz ZALDUKMYIGCHKO-UHFFFAOYSA-N -1 1 384.469 1.754 20 0 GDADMM CC1(Nc2ccc(-c3nn[n-]n3)nn2)CCN(C(=O)Cc2cccs2)CC1 ZINC001575854652 949237692 /nfs/dbraw/zinc/23/76/92/949237692.db2.gz ZALDUKMYIGCHKO-UHFFFAOYSA-N -1 1 384.469 1.754 20 0 GDADMM C[C@H](NC(=O)C1(CCF)CC1)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575256233 949246714 /nfs/dbraw/zinc/24/67/14/949246714.db2.gz UJMLPYGJQVABEJ-STQMWFEESA-N -1 1 388.451 1.518 20 0 GDADMM C[C@H](NC(=O)C1(CCF)CC1)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575256233 949246741 /nfs/dbraw/zinc/24/67/41/949246741.db2.gz UJMLPYGJQVABEJ-STQMWFEESA-N -1 1 388.451 1.518 20 0 GDADMM C[C@@H](NC(=O)C1(C)CCCC1)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575256131 949250072 /nfs/dbraw/zinc/25/00/72/949250072.db2.gz SUIVBAPNSHKOIB-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](NC(=O)C1(C)CCCC1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575256131 949250089 /nfs/dbraw/zinc/25/00/89/949250089.db2.gz SUIVBAPNSHKOIB-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](NC(=O)C1(CCF)CC1)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575256489 949252144 /nfs/dbraw/zinc/25/21/44/949252144.db2.gz VVVCZHWQBIIGPC-OLZOCXBDSA-N -1 1 388.451 1.518 20 0 GDADMM C[C@@H](NC(=O)C1(CCF)CC1)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575256489 949252166 /nfs/dbraw/zinc/25/21/66/949252166.db2.gz VVVCZHWQBIIGPC-OLZOCXBDSA-N -1 1 388.451 1.518 20 0 GDADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H](C)NC(=O)C1(c2cccnc2)CC1 ZINC001575256434 949253953 /nfs/dbraw/zinc/25/39/53/949253953.db2.gz VIQGGGRQPUPENI-NEPJUHHUSA-N -1 1 379.428 1.089 20 0 GDADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)C1(c2cccnc2)CC1 ZINC001575256434 949253973 /nfs/dbraw/zinc/25/39/73/949253973.db2.gz VIQGGGRQPUPENI-NEPJUHHUSA-N -1 1 379.428 1.089 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(C2CC2)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574940202 949255342 /nfs/dbraw/zinc/25/53/42/949255342.db2.gz BDSINYSWQKDKAT-GFCCVEGCSA-N -1 1 378.440 1.693 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(C2CC2)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574940202 949255360 /nfs/dbraw/zinc/25/53/60/949255360.db2.gz BDSINYSWQKDKAT-GFCCVEGCSA-N -1 1 378.440 1.693 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(F)c1F)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574940217 949256683 /nfs/dbraw/zinc/25/66/83/949256683.db2.gz BPPWTTVOKQNDDK-SNVBAGLBSA-N -1 1 388.382 1.342 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(F)c1F)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574940217 949256698 /nfs/dbraw/zinc/25/66/98/949256698.db2.gz BPPWTTVOKQNDDK-SNVBAGLBSA-N -1 1 388.382 1.342 20 0 GDADMM CC(C)n1cc(C(=O)NC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C2CC2)cn1 ZINC001574452450 949258127 /nfs/dbraw/zinc/25/81/27/949258127.db2.gz JICHDHYVYHGQGK-ZDUSSCGKSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cc(C(=O)NC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C2CC2)cn1 ZINC001574452450 949258146 /nfs/dbraw/zinc/25/81/46/949258146.db2.gz JICHDHYVYHGQGK-ZDUSSCGKSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@H]1CCC[C@]1(C)C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001576152915 949268508 /nfs/dbraw/zinc/26/85/08/949268508.db2.gz KUOZNCRRCOKCEM-PJHJGJPPSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H]1CCC[C@]1(C)C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001576152915 949268527 /nfs/dbraw/zinc/26/85/27/949268527.db2.gz KUOZNCRRCOKCEM-PJHJGJPPSA-N -1 1 382.472 1.378 20 0 GDADMM CC(C)n1cc(C(=O)N(C)C2CC(Nc3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001574452866 949269448 /nfs/dbraw/zinc/26/94/48/949269448.db2.gz OXNLMKHWLBGPJF-UHFFFAOYSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1cc(C(=O)N(C)C2CC(Nc3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001574452866 949269471 /nfs/dbraw/zinc/26/94/71/949269471.db2.gz OXNLMKHWLBGPJF-UHFFFAOYSA-N -1 1 382.432 1.149 20 0 GDADMM C[C@@H](NC(=O)C1CCC(F)(F)CC1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575257781 949281653 /nfs/dbraw/zinc/28/16/53/949281653.db2.gz BSZCNZWQBLNDSB-VHSXEESVSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@@H](NC(=O)C1CCC(F)(F)CC1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575257781 949281672 /nfs/dbraw/zinc/28/16/72/949281672.db2.gz BSZCNZWQBLNDSB-VHSXEESVSA-N -1 1 380.403 1.787 20 0 GDADMM CC(C)CC(=O)N1CCC[C@@H]([C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001574108140 949286173 /nfs/dbraw/zinc/28/61/73/949286173.db2.gz LUFQHRHRJXRKJN-HUUCEWRRSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)CC(=O)N1CCC[C@@H]([C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001574108140 949286190 /nfs/dbraw/zinc/28/61/90/949286190.db2.gz LUFQHRHRJXRKJN-HUUCEWRRSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc2c(c1)CCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574941063 949286601 /nfs/dbraw/zinc/28/66/01/949286601.db2.gz NSZKGTRIEPDZTK-LBPRGKRZSA-N -1 1 378.440 1.305 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc2c(c1)CCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574941063 949286631 /nfs/dbraw/zinc/28/66/31/949286631.db2.gz NSZKGTRIEPDZTK-LBPRGKRZSA-N -1 1 378.440 1.305 20 0 GDADMM C[C@H](CNC(=O)Cc1ccoc1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001574941094 949291844 /nfs/dbraw/zinc/29/18/44/949291844.db2.gz AJBCMZHYTBNGCD-MRVPVSSYSA-N -1 1 381.849 1.753 20 0 GDADMM C[C@H](CNC(=O)Cc1ccoc1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001574941094 949291867 /nfs/dbraw/zinc/29/18/67/949291867.db2.gz AJBCMZHYTBNGCD-MRVPVSSYSA-N -1 1 381.849 1.753 20 0 GDADMM C[C@@H]1CCC[C@@H](C(=O)N2C[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]3C2)C1 ZINC001576153614 949296030 /nfs/dbraw/zinc/29/60/30/949296030.db2.gz NKOAMQWGCJFKDA-TUVASFSCSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H]1CCC[C@@H](C(=O)N2C[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]3C2)C1 ZINC001576153614 949296048 /nfs/dbraw/zinc/29/60/48/949296048.db2.gz NKOAMQWGCJFKDA-TUVASFSCSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H]1CCC[C@@H](C(=O)N2C[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]3C2)C1 ZINC001576153613 949297422 /nfs/dbraw/zinc/29/74/22/949297422.db2.gz NKOAMQWGCJFKDA-LJISPDSOSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H]1CCC[C@@H](C(=O)N2C[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]3C2)C1 ZINC001576153613 949297439 /nfs/dbraw/zinc/29/74/39/949297439.db2.gz NKOAMQWGCJFKDA-LJISPDSOSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H](NC(=O)C1C=CC=CC=C1)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575258429 949297620 /nfs/dbraw/zinc/29/76/20/949297620.db2.gz HGEIRFOSBUVSOL-ZBFHGGJFSA-N -1 1 392.467 1.676 20 0 GDADMM C[C@@H](NC(=O)C1C=CC=CC=C1)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575258429 949297637 /nfs/dbraw/zinc/29/76/37/949297637.db2.gz HGEIRFOSBUVSOL-ZBFHGGJFSA-N -1 1 392.467 1.676 20 0 GDADMM C[C@@H]1CCC[C@H](C(=O)N(C)C2CCN(c3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001576153852 949300288 /nfs/dbraw/zinc/30/02/88/949300288.db2.gz NMGQQBHYYCDTHI-KGLIPLIRSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCC[C@H](C(=O)N(C)C2CCN(c3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001576153852 949300309 /nfs/dbraw/zinc/30/03/09/949300309.db2.gz NMGQQBHYYCDTHI-KGLIPLIRSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](NC(=O)C1CC2(CC2)C1)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575258768 949312071 /nfs/dbraw/zinc/31/20/71/949312071.db2.gz KIGYVWMPRRSXLR-QWHCGFSZSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](NC(=O)C1CC2(CC2)C1)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575258768 949312091 /nfs/dbraw/zinc/31/20/91/949312091.db2.gz KIGYVWMPRRSXLR-QWHCGFSZSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(Cl)c1F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574941883 949321390 /nfs/dbraw/zinc/32/13/90/949321390.db2.gz UVXPDRLHMUTMRF-SECBINFHSA-N -1 1 390.810 1.609 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(Cl)c1F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574941883 949321403 /nfs/dbraw/zinc/32/14/03/949321403.db2.gz UVXPDRLHMUTMRF-SECBINFHSA-N -1 1 390.810 1.609 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(Cl)c1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574941935 949325694 /nfs/dbraw/zinc/32/56/94/949325694.db2.gz VEGZQKFRGMIBCD-NSHDSACASA-N -1 1 386.847 1.717 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(Cl)c1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574941935 949325715 /nfs/dbraw/zinc/32/57/15/949325715.db2.gz VEGZQKFRGMIBCD-NSHDSACASA-N -1 1 386.847 1.717 20 0 GDADMM CC(C)n1ccc(C(=O)NC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C2CC2)n1 ZINC001574457793 949334219 /nfs/dbraw/zinc/33/42/19/949334219.db2.gz OFVMDWNBAFBTMV-AWEZNQCLSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1ccc(C(=O)NC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C2CC2)n1 ZINC001574457793 949334239 /nfs/dbraw/zinc/33/42/39/949334239.db2.gz OFVMDWNBAFBTMV-AWEZNQCLSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc2c(c1)CCC2)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574942129 949339733 /nfs/dbraw/zinc/33/97/33/949339733.db2.gz VYWFALDXUYKXPH-CYBMUJFWSA-N -1 1 392.467 1.329 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc2c(c1)CCC2)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574942129 949339755 /nfs/dbraw/zinc/33/97/55/949339755.db2.gz VYWFALDXUYKXPH-CYBMUJFWSA-N -1 1 392.467 1.329 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc2c(c1)CCCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574942148 949340691 /nfs/dbraw/zinc/34/06/91/949340691.db2.gz WMHMNCSJIHSIPP-ZDUSSCGKSA-N -1 1 392.467 1.695 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc2c(c1)CCCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574942148 949340717 /nfs/dbraw/zinc/34/07/17/949340717.db2.gz WMHMNCSJIHSIPP-ZDUSSCGKSA-N -1 1 392.467 1.695 20 0 GDADMM C[C@H]1CCC[C@@H]1CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001576154565 949348359 /nfs/dbraw/zinc/34/83/59/949348359.db2.gz DXBIGILSCPFYSM-LJISPDSOSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H]1CCC[C@@H]1CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001576154565 949348382 /nfs/dbraw/zinc/34/83/82/949348382.db2.gz DXBIGILSCPFYSM-LJISPDSOSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](CN(C)C(=O)C1(c2cccnc2)CC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574703921 949358880 /nfs/dbraw/zinc/35/88/80/949358880.db2.gz HTYHQJXALWNTTL-GFCCVEGCSA-N -1 1 379.428 1.042 20 0 GDADMM C[C@H](CN(C)C(=O)C1(c2cccnc2)CC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574703921 949358893 /nfs/dbraw/zinc/35/88/93/949358893.db2.gz HTYHQJXALWNTTL-GFCCVEGCSA-N -1 1 379.428 1.042 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccoc1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574942474 949361502 /nfs/dbraw/zinc/36/15/02/949361502.db2.gz PHLIUBUCCAEWMA-QMMMGPOBSA-N -1 1 381.849 1.753 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccoc1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574942474 949361524 /nfs/dbraw/zinc/36/15/24/949361524.db2.gz PHLIUBUCCAEWMA-QMMMGPOBSA-N -1 1 381.849 1.753 20 0 GDADMM C[C@@H]1CCC[C@H]1CC(=O)NCC1=CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001576154793 949363698 /nfs/dbraw/zinc/36/36/98/949363698.db2.gz FEKVTKKMLFVWSM-HIFRSBDPSA-N -1 1 382.472 1.736 20 0 GDADMM C[C@@H]1CCC[C@H]1CC(=O)NCC1=CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001576154793 949363720 /nfs/dbraw/zinc/36/37/20/949363720.db2.gz FEKVTKKMLFVWSM-HIFRSBDPSA-N -1 1 382.472 1.736 20 0 GDADMM C[C@@H](CNC(=O)Cc1cc[nH]n1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574942703 949367338 /nfs/dbraw/zinc/36/73/38/949367338.db2.gz RJKVLZGONVDVGO-ZETCQYMHSA-N -1 1 381.853 1.107 20 0 GDADMM C[C@@H](CNC(=O)Cc1cc[nH]n1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574942703 949367359 /nfs/dbraw/zinc/36/73/59/949367359.db2.gz RJKVLZGONVDVGO-ZETCQYMHSA-N -1 1 381.853 1.107 20 0 GDADMM C[C@H](CN(C)C(=O)C1=COCCC1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574704097 949370929 /nfs/dbraw/zinc/37/09/29/949370929.db2.gz KULGRIRWLYCBQA-MRVPVSSYSA-N -1 1 383.865 1.930 20 0 GDADMM C[C@H](CN(C)C(=O)C1=COCCC1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574704097 949370951 /nfs/dbraw/zinc/37/09/51/949370951.db2.gz KULGRIRWLYCBQA-MRVPVSSYSA-N -1 1 383.865 1.930 20 0 GDADMM CC(C)n1cccc1C(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574460403 949376355 /nfs/dbraw/zinc/37/63/55/949376355.db2.gz UFSFNXMYQYUOIA-ZDUSSCGKSA-N -1 1 381.444 1.390 20 0 GDADMM CC1(C)CN(C(=O)[C@]2(C)CCCOC2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575527919 949382125 /nfs/dbraw/zinc/38/21/25/949382125.db2.gz JQEZKQCMAAFCAG-SCLBCKFNSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CN(C(=O)[C@]2(C)CCCOC2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575527919 949382147 /nfs/dbraw/zinc/38/21/47/949382147.db2.gz JQEZKQCMAAFCAG-SCLBCKFNSA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)n1cnc(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC001574464154 949396520 /nfs/dbraw/zinc/39/65/20/949396520.db2.gz HKLGSBXAKNWFDK-GFCCVEGCSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1cnc(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC001574464154 949396549 /nfs/dbraw/zinc/39/65/49/949396549.db2.gz HKLGSBXAKNWFDK-GFCCVEGCSA-N -1 1 382.432 1.151 20 0 GDADMM CC1(C(=O)N2CC[C@H](CCNc3nccnc3-c3nnn[n-]3)C2)CCOCC1 ZINC001575532854 949406166 /nfs/dbraw/zinc/40/61/66/949406166.db2.gz AUGLEFILXLIXAG-ZDUSSCGKSA-N -1 1 386.460 1.124 20 0 GDADMM CC1(C(=O)N2CC[C@H](CCNc3nccnc3-c3nn[n-]n3)C2)CCOCC1 ZINC001575532854 949406184 /nfs/dbraw/zinc/40/61/84/949406184.db2.gz AUGLEFILXLIXAG-ZDUSSCGKSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCCC1(F)F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574705331 949420377 /nfs/dbraw/zinc/42/03/77/949420377.db2.gz IBCWHGVUVMJVBZ-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCCC1(F)F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574705331 949420386 /nfs/dbraw/zinc/42/03/86/949420386.db2.gz IBCWHGVUVMJVBZ-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2(C(C)(F)F)CC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575866965 949423216 /nfs/dbraw/zinc/42/32/16/949423216.db2.gz ISXHPEXDRRCQHT-MNOVXSKESA-N -1 1 392.414 1.566 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2(C(C)(F)F)CC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575866965 949423227 /nfs/dbraw/zinc/42/32/27/949423227.db2.gz ISXHPEXDRRCQHT-MNOVXSKESA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccc[nH]1 ZINC001576156249 949435004 /nfs/dbraw/zinc/43/50/04/949435004.db2.gz MGARESOZRORDNW-SGTLLEGYSA-N -1 1 381.444 1.198 20 0 GDADMM CC(C)n1cccc1C(=O)NCCN(c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001574465686 949442797 /nfs/dbraw/zinc/44/27/97/949442797.db2.gz WASUEJKFOFSEPD-UHFFFAOYSA-N -1 1 381.444 1.438 20 0 GDADMM CC(C)n1cccc1C(=O)NCCN(c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001574465686 949442812 /nfs/dbraw/zinc/44/28/12/949442812.db2.gz WASUEJKFOFSEPD-UHFFFAOYSA-N -1 1 381.444 1.438 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C(C2CC2)C2CC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575867818 949449033 /nfs/dbraw/zinc/44/90/33/949449033.db2.gz KVZCXKZHRAKRRD-FZMZJTMJSA-N -1 1 382.472 1.566 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C(C2CC2)C2CC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575867818 949449051 /nfs/dbraw/zinc/44/90/51/949449051.db2.gz KVZCXKZHRAKRRD-FZMZJTMJSA-N -1 1 382.472 1.566 20 0 GDADMM CC(C)n1nccc1C(=O)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574468580 949465721 /nfs/dbraw/zinc/46/57/21/949465721.db2.gz QJHLJZZVVGECKT-LBPRGKRZSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1nccc1C(=O)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574468580 949465740 /nfs/dbraw/zinc/46/57/40/949465740.db2.gz QJHLJZZVVGECKT-LBPRGKRZSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@@H](CN(C)C(=O)C1CCC(F)(F)CC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574707882 949478650 /nfs/dbraw/zinc/47/86/50/949478650.db2.gz RMGVFQTVEIMGRX-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CN(C)C(=O)C1CCC(F)(F)CC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574707882 949478660 /nfs/dbraw/zinc/47/86/60/949478660.db2.gz RMGVFQTVEIMGRX-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H]1CCC[C@@H]1CC(=O)NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576157335 949483703 /nfs/dbraw/zinc/48/37/03/949483703.db2.gz PTXCQWIXONRMRV-UKRRQHHQSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C(=O)N2CCC(Nc3cncc(-c4nnn[n-]4)n3)CC2)CC(F)(F)C1 ZINC001575537227 949490851 /nfs/dbraw/zinc/49/08/51/949490851.db2.gz UDBCMMKUIMGRPV-UHFFFAOYSA-N -1 1 378.387 1.495 20 0 GDADMM CC1(C(=O)N2CCC(Nc3cncc(-c4nn[n-]n4)n3)CC2)CC(F)(F)C1 ZINC001575537227 949490866 /nfs/dbraw/zinc/49/08/66/949490866.db2.gz UDBCMMKUIMGRPV-UHFFFAOYSA-N -1 1 378.387 1.495 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccc[nH]1 ZINC001576158850 949505646 /nfs/dbraw/zinc/50/56/46/949505646.db2.gz VCBSZJOUFDQLMC-XIKOKIGWSA-N -1 1 381.444 1.776 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccc[nH]1 ZINC001576158850 949505655 /nfs/dbraw/zinc/50/56/55/949505655.db2.gz VCBSZJOUFDQLMC-XIKOKIGWSA-N -1 1 381.444 1.776 20 0 GDADMM C[C@@]1(C(=O)N2CC[C@]3(CCN(c4nccnc4-c4nnn[n-]4)C3)C2)C=CCC1 ZINC001575537919 949509307 /nfs/dbraw/zinc/50/93/07/949509307.db2.gz BTCKINGXDXNKDU-MOPGFXCFSA-N -1 1 380.456 1.442 20 0 GDADMM C[C@@]1(C(=O)N2CC[C@]3(CCN(c4nccnc4-c4nn[n-]n4)C3)C2)C=CCC1 ZINC001575537919 949509322 /nfs/dbraw/zinc/50/93/22/949509322.db2.gz BTCKINGXDXNKDU-MOPGFXCFSA-N -1 1 380.456 1.442 20 0 GDADMM C[C@@H](CN(C)C(=O)CC(C)(C)CC(F)F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574710973 949521733 /nfs/dbraw/zinc/52/17/33/949521733.db2.gz CUGOMIIMOGHKIK-JTQLQIEISA-N -1 1 382.419 1.987 20 0 GDADMM C[C@@H](CN(C)C(=O)CC(C)(C)CC(F)F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574710973 949521765 /nfs/dbraw/zinc/52/17/65/949521765.db2.gz CUGOMIIMOGHKIK-JTQLQIEISA-N -1 1 382.419 1.987 20 0 GDADMM C[C@]1(C(=O)N2CCC[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)CCCOC1 ZINC001575538411 949522089 /nfs/dbraw/zinc/52/20/89/949522089.db2.gz GWVDDVFWMPMXDT-UGSOOPFHSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@]1(C(=O)N2CCC[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)CCCOC1 ZINC001575538411 949522108 /nfs/dbraw/zinc/52/21/08/949522108.db2.gz GWVDDVFWMPMXDT-UGSOOPFHSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@H]1CCCC[C@@H]1OCC(=O)N(C)CCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001576163949 949545635 /nfs/dbraw/zinc/54/56/35/949545635.db2.gz DKQYHXMEYHZSEO-KBPBESRZSA-N -1 1 388.476 1.147 20 0 GDADMM CC1(C(=O)N2CC[C@@]3(CCN(c4nccnc4-c4nnn[n-]4)C3)C2)CCCC1 ZINC001575539417 949545727 /nfs/dbraw/zinc/54/57/27/949545727.db2.gz PWTQXTIQKSXVBV-LJQANCHMSA-N -1 1 382.472 1.666 20 0 GDADMM CC1(C(=O)N2CC[C@@]3(CCN(c4nccnc4-c4nn[n-]n4)C3)C2)CCCC1 ZINC001575539417 949545742 /nfs/dbraw/zinc/54/57/42/949545742.db2.gz PWTQXTIQKSXVBV-LJQANCHMSA-N -1 1 382.472 1.666 20 0 GDADMM C[C@H]1CCCN(C(=O)CC(F)(F)F)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576164205 949547952 /nfs/dbraw/zinc/54/79/52/949547952.db2.gz FBEAZFRGTNDNQT-VHSXEESVSA-N -1 1 384.366 1.070 20 0 GDADMM CC(C)CC(=O)NCc1ccccc1CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574123273 949550875 /nfs/dbraw/zinc/55/08/75/949550875.db2.gz QKZBMNUBMOSIPT-UHFFFAOYSA-N -1 1 380.456 1.955 20 0 GDADMM CC(C)CC(=O)NCc1ccccc1CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574123278 949552902 /nfs/dbraw/zinc/55/29/02/949552902.db2.gz QXNZZLWXWJWZAZ-UHFFFAOYSA-N -1 1 380.456 1.955 20 0 GDADMM CC(C)CC(=O)NCc1ccccc1CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574123278 949552927 /nfs/dbraw/zinc/55/29/27/949552927.db2.gz QXNZZLWXWJWZAZ-UHFFFAOYSA-N -1 1 380.456 1.955 20 0 GDADMM C[C@H](CC(=O)N(C)[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1)c1ccncc1 ZINC001574472459 949553300 /nfs/dbraw/zinc/55/33/00/949553300.db2.gz VCWJSQVDVICCIG-OLZOCXBDSA-N -1 1 381.444 1.504 20 0 GDADMM C[C@H](CC(=O)N(C)[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1)c1ccncc1 ZINC001574472459 949553313 /nfs/dbraw/zinc/55/33/13/949553313.db2.gz VCWJSQVDVICCIG-OLZOCXBDSA-N -1 1 381.444 1.504 20 0 GDADMM CC1(C(=O)N2CCC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)CCCCC1 ZINC001575540279 949568406 /nfs/dbraw/zinc/56/84/06/949568406.db2.gz WLOAUVUVDALDPZ-AWEZNQCLSA-N -1 1 384.488 1.700 20 0 GDADMM C[C@]1(C(=O)N2CCC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)CCCOC1 ZINC001575540269 949569134 /nfs/dbraw/zinc/56/91/34/949569134.db2.gz WHJDJGYXLUFCQQ-ACJLOTCBSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@]1(C(=O)N2CCC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)CCCOC1 ZINC001575540269 949569154 /nfs/dbraw/zinc/56/91/54/949569154.db2.gz WHJDJGYXLUFCQQ-ACJLOTCBSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CCC(C)(F)F)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575873160 949570352 /nfs/dbraw/zinc/57/03/52/949570352.db2.gz NYHHFZXWMUXKHZ-GHMZBOCLSA-N -1 1 380.403 1.566 20 0 GDADMM CC(C)C[C@@H](C(=O)NC[C@@H](C)Nc1nccnc1-c1nnn[n-]1)n1ccnc1 ZINC001574125027 949579359 /nfs/dbraw/zinc/57/93/59/949579359.db2.gz NIZJLMDYPBPMCZ-OLZOCXBDSA-N -1 1 384.448 1.057 20 0 GDADMM CC(C)C[C@@H](C(=O)NC[C@@H](C)Nc1nccnc1-c1nn[n-]n1)n1ccnc1 ZINC001574125027 949579369 /nfs/dbraw/zinc/57/93/69/949579369.db2.gz NIZJLMDYPBPMCZ-OLZOCXBDSA-N -1 1 384.448 1.057 20 0 GDADMM C[C@@H](CN(C)C(=O)CC(C)(C)CC(F)F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574712698 949583586 /nfs/dbraw/zinc/58/35/86/949583586.db2.gz SYNRYVPNGCCMHW-JTQLQIEISA-N -1 1 382.419 1.409 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC(C)(C)O)[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576166714 949588228 /nfs/dbraw/zinc/58/82/28/949588228.db2.gz NYSCZWMSOHYYLD-OCCSQVGLSA-N -1 1 388.476 1.247 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC(C)(C)O)[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576166714 949588243 /nfs/dbraw/zinc/58/82/43/949588243.db2.gz NYSCZWMSOHYYLD-OCCSQVGLSA-N -1 1 388.476 1.247 20 0 GDADMM C[C@@H](NC(=O)CCCC1CC1)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575271783 949628236 /nfs/dbraw/zinc/62/82/36/949628236.db2.gz MBNHRMAFVDJGEU-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](NC(=O)CCCC1CC1)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575271783 949628249 /nfs/dbraw/zinc/62/82/49/949628249.db2.gz MBNHRMAFVDJGEU-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@]1(C(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CCc2ccccc21 ZINC001575547663 949635156 /nfs/dbraw/zinc/63/51/56/949635156.db2.gz BKKYLOUIGXLEDI-VLIAUNLRSA-N -1 1 390.451 1.574 20 0 GDADMM C[C@]1(C(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CCc2ccccc21 ZINC001575547663 949635168 /nfs/dbraw/zinc/63/51/68/949635168.db2.gz BKKYLOUIGXLEDI-VLIAUNLRSA-N -1 1 390.451 1.574 20 0 GDADMM C[C@H](NC(=O)CCC1CCC1)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575272434 949647291 /nfs/dbraw/zinc/64/72/91/949647291.db2.gz QRUFALZFHZNCLV-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CC(=O)N(C)CCCN(C)c1cncc(-c2nnn[n-]2)n1)c1ccco1 ZINC001574477255 949648604 /nfs/dbraw/zinc/64/86/04/949648604.db2.gz PLORCAJLFGDFSW-CYBMUJFWSA-N -1 1 384.444 1.728 20 0 GDADMM C[C@H](CC(=O)N(C)CCCN(C)c1cncc(-c2nn[n-]n2)n1)c1ccco1 ZINC001574477255 949648619 /nfs/dbraw/zinc/64/86/19/949648619.db2.gz PLORCAJLFGDFSW-CYBMUJFWSA-N -1 1 384.444 1.728 20 0 GDADMM C[C@@H]1CCCC[C@H]1C(=O)NC1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576169041 949663152 /nfs/dbraw/zinc/66/31/52/949663152.db2.gz IAIRIRKSWZTKNW-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](NC(=O)CCC1CCC1)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575273597 949668019 /nfs/dbraw/zinc/66/80/19/949668019.db2.gz XGEUHPQKCOWXOC-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](NC(=O)CCC1CCC1)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575273597 949668028 /nfs/dbraw/zinc/66/80/28/949668028.db2.gz XGEUHPQKCOWXOC-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@@H]1CCC(C)(C)CO1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574715841 949671092 /nfs/dbraw/zinc/67/10/92/949671092.db2.gz LHTFNVWHYLIXPL-STQMWFEESA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@@H]1CCC(C)(C)CO1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574715841 949671108 /nfs/dbraw/zinc/67/11/08/949671108.db2.gz LHTFNVWHYLIXPL-STQMWFEESA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](NC(=O)CCCC1CCOCC1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575273778 949672793 /nfs/dbraw/zinc/67/27/93/949672793.db2.gz XZAFOBYNUMBFBG-STQMWFEESA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H](NC(=O)CCCC1CCOCC1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575273778 949672808 /nfs/dbraw/zinc/67/28/08/949672808.db2.gz XZAFOBYNUMBFBG-STQMWFEESA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H](CC(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1)c1ccc(F)cc1 ZINC001574478075 949695393 /nfs/dbraw/zinc/69/53/93/949695393.db2.gz UTXMJWJZOWXWQU-GFCCVEGCSA-N -1 1 384.419 1.860 20 0 GDADMM C[C@H](CC(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1)c1ccc(F)cc1 ZINC001574478075 949695403 /nfs/dbraw/zinc/69/54/03/949695403.db2.gz UTXMJWJZOWXWQU-GFCCVEGCSA-N -1 1 384.419 1.860 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@]1(C)CCCOC1 ZINC001575557345 949715828 /nfs/dbraw/zinc/71/58/28/949715828.db2.gz HSZSKWJUSXIRJL-UGSOOPFHSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@]1(C)CCCOC1 ZINC001575557345 949715847 /nfs/dbraw/zinc/71/58/47/949715847.db2.gz HSZSKWJUSXIRJL-UGSOOPFHSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@H]1CCCC[C@H]1CC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001576170562 949723523 /nfs/dbraw/zinc/72/35/23/949723523.db2.gz LRZGWMHQDNNDHN-BNIMDDLWSA-N -1 1 382.472 1.424 20 0 GDADMM C[C@H]1CCCC[C@H]1CC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001576170562 949723539 /nfs/dbraw/zinc/72/35/39/949723539.db2.gz LRZGWMHQDNNDHN-BNIMDDLWSA-N -1 1 382.472 1.424 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CCC(F)(F)F)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575881664 949727866 /nfs/dbraw/zinc/72/78/66/949727866.db2.gz ZKYZFLCDBJUKDS-ZJUUUORDSA-N -1 1 384.366 1.473 20 0 GDADMM C[C@@]1(C(=O)N[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C2CCCC2)CCOC1 ZINC001575558091 949732191 /nfs/dbraw/zinc/73/21/91/949732191.db2.gz OLLQDIYYJZBRGU-FZKQIMNGSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@]1(C(=O)N[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C2CCCC2)CCOC1 ZINC001575558091 949732204 /nfs/dbraw/zinc/73/22/04/949732204.db2.gz OLLQDIYYJZBRGU-FZKQIMNGSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](NC(=O)CCc1ccc(F)cc1)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575276752 949732473 /nfs/dbraw/zinc/73/24/73/949732473.db2.gz LAABJKDEDUINCD-VXGBXAGGSA-N -1 1 384.419 1.734 20 0 GDADMM C[C@@H](NC(=O)CCc1ccc(F)cc1)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575276752 949732494 /nfs/dbraw/zinc/73/24/94/949732494.db2.gz LAABJKDEDUINCD-VXGBXAGGSA-N -1 1 384.419 1.734 20 0 GDADMM CC1(C(=O)N2C[C@@H]3CN(c4nc(-c5nn[n-]n5)c(Cl)s4)C[C@@H]3C2)CC1 ZINC001575558054 949733578 /nfs/dbraw/zinc/73/35/78/949733578.db2.gz NPNCGVHZOZUROC-DTORHVGOSA-N -1 1 379.877 1.671 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCC1(F)F ZINC001573818678 949739659 /nfs/dbraw/zinc/73/96/59/949739659.db2.gz OACMYJHTFHFDLP-KOLCDFICSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCC1(F)F ZINC001573818678 949739675 /nfs/dbraw/zinc/73/96/75/949739675.db2.gz OACMYJHTFHFDLP-KOLCDFICSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1csc(=O)[nH]1 ZINC001573818966 949745343 /nfs/dbraw/zinc/74/53/43/949745343.db2.gz PUDFOTXOWDUCLJ-SNVBAGLBSA-N -1 1 389.445 1.075 20 0 GDADMM C[C@H]1CCCN(C(=O)CCCC2CC2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576171015 949746936 /nfs/dbraw/zinc/74/69/36/949746936.db2.gz OPPPYUHDNLKFQO-ZFWWWQNUSA-N -1 1 384.488 1.698 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C1(CF)CCC1 ZINC001573819304 949755589 /nfs/dbraw/zinc/75/55/89/949755589.db2.gz STYYUKHZVLSVBW-GFCCVEGCSA-N -1 1 376.440 1.739 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C1(CF)CCC1 ZINC001573819304 949755600 /nfs/dbraw/zinc/75/56/00/949755600.db2.gz STYYUKHZVLSVBW-GFCCVEGCSA-N -1 1 376.440 1.739 20 0 GDADMM C[C@H](CC(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1)n1cccc1 ZINC001574480896 949756618 /nfs/dbraw/zinc/75/66/18/949756618.db2.gz KZPCJMXTWJNEQM-CYBMUJFWSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@H](CC(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1)n1cccc1 ZINC001574480896 949756636 /nfs/dbraw/zinc/75/66/36/949756636.db2.gz KZPCJMXTWJNEQM-CYBMUJFWSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574480936 949761780 /nfs/dbraw/zinc/76/17/80/949761780.db2.gz LOVLQSKHCVUJEQ-STQMWFEESA-N -1 1 382.428 1.481 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1)C1CC1 ZINC001574481062 949762320 /nfs/dbraw/zinc/76/23/20/949762320.db2.gz MFJRNHFOSROAHZ-UONOGXRCSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1)C1CC1 ZINC001574481062 949762337 /nfs/dbraw/zinc/76/23/37/949762337.db2.gz MFJRNHFOSROAHZ-UONOGXRCSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N1C[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001574137700 949767174 /nfs/dbraw/zinc/76/71/74/949767174.db2.gz WTWQSYOOCSWGRU-RBSFLKMASA-N -1 1 386.504 1.657 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccoc1Cl ZINC001573820690 949768064 /nfs/dbraw/zinc/76/80/64/949768064.db2.gz YTYKSRSELRAIOZ-SNVBAGLBSA-N -1 1 390.835 1.582 20 0 GDADMM CC1(C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C23CCC3)CCCC1 ZINC001575560217 949782795 /nfs/dbraw/zinc/78/27/95/949782795.db2.gz MRUJTGSCUNWUFO-STQMWFEESA-N -1 1 382.472 1.498 20 0 GDADMM C[C@@H](CNC(=O)c1c(Cl)n[nH]c1C1CC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574964868 949786685 /nfs/dbraw/zinc/78/66/85/949786685.db2.gz AXCAYDWNEHREMT-ZETCQYMHSA-N -1 1 388.823 1.141 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccncc1 ZINC001574481549 949788710 /nfs/dbraw/zinc/78/87/10/949788710.db2.gz RLEBYCYXTZDCDJ-JSGCOSHPSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccncc1 ZINC001574481549 949788721 /nfs/dbraw/zinc/78/87/21/949788721.db2.gz RLEBYCYXTZDCDJ-JSGCOSHPSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@@H]1CCCN(C(=O)COCC2CC2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576172312 949800229 /nfs/dbraw/zinc/80/02/29/949800229.db2.gz WGNXAJFVKMTJGC-TZMCWYRMSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H]1CCCN(C(=O)COCC2CC2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576172312 949800253 /nfs/dbraw/zinc/80/02/53/949800253.db2.gz WGNXAJFVKMTJGC-TZMCWYRMSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H](CNC(=O)c1c(F)cccc1Cl)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574965649 949807581 /nfs/dbraw/zinc/80/75/81/949807581.db2.gz INCJOCPTNCDJFT-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@H](CNC(=O)c1c(F)cccc1Cl)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574965649 949807597 /nfs/dbraw/zinc/80/75/97/949807597.db2.gz INCJOCPTNCDJFT-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CN(C)C(=O)CCc1ccccc1F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574721214 949813882 /nfs/dbraw/zinc/81/38/82/949813882.db2.gz LBQOOFCBAOJXCM-LBPRGKRZSA-N -1 1 384.419 1.687 20 0 GDADMM C[C@@H](CN(C)C(=O)CCc1ccccc1F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574721214 949813899 /nfs/dbraw/zinc/81/38/99/949813899.db2.gz LBQOOFCBAOJXCM-LBPRGKRZSA-N -1 1 384.419 1.687 20 0 GDADMM CCCN(C(=O)[C@@H](C)N[C@@H](Cc1ccccc1)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC001589658748 949828485 /nfs/dbraw/zinc/82/84/85/949828485.db2.gz FWMHCQZSZVPWGY-PVAVHDDUSA-N -1 1 396.509 1.086 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cc(Cl)no1 ZINC001573823375 949828990 /nfs/dbraw/zinc/82/89/90/949828990.db2.gz VSQALYWRBYTMET-JTQLQIEISA-N -1 1 391.823 1.555 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cc(Cl)no1 ZINC001573823375 949829010 /nfs/dbraw/zinc/82/90/10/949829010.db2.gz VSQALYWRBYTMET-JTQLQIEISA-N -1 1 391.823 1.555 20 0 GDADMM C[C@@H](CN(C)C(=O)CCCc1ccsc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574722472 949835260 /nfs/dbraw/zinc/83/52/60/949835260.db2.gz SGUHAQAKYAIVJY-LBPRGKRZSA-N -1 1 386.485 2.000 20 0 GDADMM C[C@@H](CN(C)C(=O)CCCc1ccsc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574722472 949835278 /nfs/dbraw/zinc/83/52/78/949835278.db2.gz SGUHAQAKYAIVJY-LBPRGKRZSA-N -1 1 386.485 2.000 20 0 GDADMM CC1(C(=O)N[C@@H]2CC[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@@H]3C2)CCC1 ZINC001575563100 949836877 /nfs/dbraw/zinc/83/68/77/949836877.db2.gz JEAFWPAHYCRFAD-MELADBBJSA-N -1 1 382.472 1.568 20 0 GDADMM CC1(C(=O)N[C@@H]2CC[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@@H]3C2)CCC1 ZINC001575563100 949836896 /nfs/dbraw/zinc/83/68/96/949836896.db2.gz JEAFWPAHYCRFAD-MELADBBJSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccns2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576178009 949868348 /nfs/dbraw/zinc/86/83/48/949868348.db2.gz AMHTWSFGLUQWFA-ZYHUDNBSSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccns2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576178009 949868362 /nfs/dbraw/zinc/86/83/62/949868362.db2.gz AMHTWSFGLUQWFA-ZYHUDNBSSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H](NC(=O)Cc1c(F)cccc1F)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575283432 949868475 /nfs/dbraw/zinc/86/84/75/949868475.db2.gz OVQOSBZLRCRIRT-UWVGGRQHSA-N -1 1 388.382 1.483 20 0 GDADMM C[C@H](NC(=O)Cc1c(F)cccc1F)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575283432 949868497 /nfs/dbraw/zinc/86/84/97/949868497.db2.gz OVQOSBZLRCRIRT-UWVGGRQHSA-N -1 1 388.382 1.483 20 0 GDADMM C[C@@H](NC(=O)Cc1c(F)cccc1F)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575283430 949870841 /nfs/dbraw/zinc/87/08/41/949870841.db2.gz OVQOSBZLRCRIRT-NXEZZACHSA-N -1 1 388.382 1.483 20 0 GDADMM C[C@@H](NC(=O)Cc1c(F)cccc1F)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575283430 949870861 /nfs/dbraw/zinc/87/08/61/949870861.db2.gz OVQOSBZLRCRIRT-NXEZZACHSA-N -1 1 388.382 1.483 20 0 GDADMM C[C@@H]1[C@H](NC(=O)Cc2cccs2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575886211 949876407 /nfs/dbraw/zinc/87/64/07/949876407.db2.gz XMAKAONMQNJBCQ-DGCLKSJQSA-N -1 1 384.469 1.434 20 0 GDADMM C[C@@H]1[C@H](NC(=O)Cc2cccs2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575886211 949876425 /nfs/dbraw/zinc/87/64/25/949876425.db2.gz XMAKAONMQNJBCQ-DGCLKSJQSA-N -1 1 384.469 1.434 20 0 GDADMM CC(C)(C)C1CC(C(=O)N2CCCN(c3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001573825412 949878474 /nfs/dbraw/zinc/87/84/74/949878474.db2.gz UVTZTBMHYXGDTH-UHFFFAOYSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)(C)C1CC(C(=O)N2CCCN(c3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001573825412 949878498 /nfs/dbraw/zinc/87/84/98/949878498.db2.gz UVTZTBMHYXGDTH-UHFFFAOYSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccco2)[C@@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576178083 949879138 /nfs/dbraw/zinc/87/91/38/949879138.db2.gz AQLMUERBZFWYGN-GXTWGEPZSA-N -1 1 382.428 1.993 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccco2)[C@@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576178083 949879157 /nfs/dbraw/zinc/87/91/57/949879157.db2.gz AQLMUERBZFWYGN-GXTWGEPZSA-N -1 1 382.428 1.993 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001574484296 949878997 /nfs/dbraw/zinc/87/89/97/949878997.db2.gz YCQXIJHBMUEEML-STQMWFEESA-N -1 1 382.428 1.846 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001574484296 949879019 /nfs/dbraw/zinc/87/90/19/949879019.db2.gz YCQXIJHBMUEEML-STQMWFEESA-N -1 1 382.428 1.846 20 0 GDADMM CC(C)(C)C1CC(C(=O)NC[C@H]2CCCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001573825408 949881054 /nfs/dbraw/zinc/88/10/54/949881054.db2.gz URWCNQGWRQJUMG-JXQTWKCFSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)C1CC(C(=O)NC[C@H]2CCCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001573825408 949881076 /nfs/dbraw/zinc/88/10/76/949881076.db2.gz URWCNQGWRQJUMG-JXQTWKCFSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](CC(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)c1ccccc1 ZINC001574484601 949889841 /nfs/dbraw/zinc/88/98/41/949889841.db2.gz KTLNKECYENLJPW-HNNXBMFYSA-N -1 1 392.467 1.889 20 0 GDADMM C[C@@H](CC(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)c1ccccc1 ZINC001574484601 949889864 /nfs/dbraw/zinc/88/98/64/949889864.db2.gz KTLNKECYENLJPW-HNNXBMFYSA-N -1 1 392.467 1.889 20 0 GDADMM C[C@H]1CCN(C(=O)C2(C(F)F)CC2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576179338 949911391 /nfs/dbraw/zinc/91/13/91/949911391.db2.gz KTMLVSAPTQODTH-QWRGUYRKSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H]1CCN(C(=O)C2(C(F)F)CC2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576179338 949911417 /nfs/dbraw/zinc/91/14/17/949911417.db2.gz KTMLVSAPTQODTH-QWRGUYRKSA-N -1 1 392.414 1.599 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574145573 949927579 /nfs/dbraw/zinc/92/75/79/949927579.db2.gz UMSRWKDSXSCQQA-MELADBBJSA-N -1 1 388.476 1.557 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574145573 949927602 /nfs/dbraw/zinc/92/76/02/949927602.db2.gz UMSRWKDSXSCQQA-MELADBBJSA-N -1 1 388.476 1.557 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574146052 949933026 /nfs/dbraw/zinc/93/30/26/949933026.db2.gz WNENXVSQGDJQPH-AWEZNQCLSA-N -1 1 388.476 1.147 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574146052 949933039 /nfs/dbraw/zinc/93/30/39/949933039.db2.gz WNENXVSQGDJQPH-AWEZNQCLSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@H](CC(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)n1cccc1 ZINC001574487731 949934686 /nfs/dbraw/zinc/93/46/86/949934686.db2.gz BLCBNIQITQTECO-OCCSQVGLSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](CC(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)n1cccc1 ZINC001574487731 949934714 /nfs/dbraw/zinc/93/47/14/949934714.db2.gz BLCBNIQITQTECO-OCCSQVGLSA-N -1 1 381.444 1.416 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574146071 949939304 /nfs/dbraw/zinc/93/93/04/949939304.db2.gz WWMXGOLEVKJFQU-KBPBESRZSA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574146071 949939321 /nfs/dbraw/zinc/93/93/21/949939321.db2.gz WWMXGOLEVKJFQU-KBPBESRZSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H]1CCN(C(=O)CC(C)(F)F)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576180183 949942489 /nfs/dbraw/zinc/94/24/89/949942489.db2.gz CQMAGINBWTUKRN-MNOVXSKESA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H]1CCN(C(=O)CC(C)(F)F)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576180183 949942506 /nfs/dbraw/zinc/94/25/06/949942506.db2.gz CQMAGINBWTUKRN-MNOVXSKESA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H]1CCN(C(=O)CC(F)(F)F)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576180581 949963723 /nfs/dbraw/zinc/96/37/23/949963723.db2.gz FKICKUOXKMJPOS-NXEZZACHSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@@H]1CCN(C(=O)CC(F)(F)F)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576180581 949963746 /nfs/dbraw/zinc/96/37/46/949963746.db2.gz FKICKUOXKMJPOS-NXEZZACHSA-N -1 1 384.366 1.506 20 0 GDADMM CC1(C(=O)NC[C@H](CO)Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCCC1 ZINC001575572649 949983154 /nfs/dbraw/zinc/98/31/54/949983154.db2.gz IHMJLWIKJLDFTB-MRVPVSSYSA-N -1 1 385.881 1.446 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1)CC(C)(C)C ZINC001574490371 949992733 /nfs/dbraw/zinc/99/27/33/949992733.db2.gz QJWAHSFCBZLCOR-IHRRRGAJSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1)CC(C)(C)C ZINC001574490371 949992756 /nfs/dbraw/zinc/99/27/56/949992756.db2.gz QJWAHSFCBZLCOR-IHRRRGAJSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2ccc(Cl)[nH]2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575891249 949994569 /nfs/dbraw/zinc/99/45/69/949994569.db2.gz GYHZQFPSFOIYEK-UWVGGRQHSA-N -1 1 387.835 1.426 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccc[nH]2)[C@@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576181617 950012989 /nfs/dbraw/zinc/01/29/89/950012989.db2.gz MEKRPYYXRODJPO-SWLSCSKDSA-N -1 1 381.444 1.728 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccc[nH]2)[C@@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576181617 950013009 /nfs/dbraw/zinc/01/30/09/950013009.db2.gz MEKRPYYXRODJPO-SWLSCSKDSA-N -1 1 381.444 1.728 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001574490841 950022863 /nfs/dbraw/zinc/02/28/63/950022863.db2.gz ZYWXWRNKHQLGGR-UMVBOHGHSA-N -1 1 381.444 1.368 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001574490841 950022883 /nfs/dbraw/zinc/02/28/83/950022883.db2.gz ZYWXWRNKHQLGGR-UMVBOHGHSA-N -1 1 381.444 1.368 20 0 GDADMM C[C@@H](CC(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)n1cccc1 ZINC001574491790 950046756 /nfs/dbraw/zinc/04/67/56/950046756.db2.gz FZPXGEWZPXOEND-ZDUSSCGKSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](CC(=O)N[C@@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1 ZINC001574492123 950059608 /nfs/dbraw/zinc/05/96/08/950059608.db2.gz JLRQLFQXONAUPJ-XOBRGWDASA-N -1 1 392.467 1.936 20 0 GDADMM C[C@@H](CC(=O)N[C@@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1 ZINC001574492123 950059634 /nfs/dbraw/zinc/05/96/34/950059634.db2.gz JLRQLFQXONAUPJ-XOBRGWDASA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccccc2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576182774 950066973 /nfs/dbraw/zinc/06/69/73/950066973.db2.gz PGRLRMHXNPQRKG-ZFWWWQNUSA-N -1 1 378.440 1.431 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cncs2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576183069 950073803 /nfs/dbraw/zinc/07/38/03/950073803.db2.gz QRDWXUZNZMQLGE-ZYHUDNBSSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cncs2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576183069 950073818 /nfs/dbraw/zinc/07/38/18/950073818.db2.gz QRDWXUZNZMQLGE-ZYHUDNBSSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H]1CCN(C(=O)Cc2ccccc2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576183296 950079678 /nfs/dbraw/zinc/07/96/78/950079678.db2.gz PCNRETRGRVZQNG-GDBMZVCRSA-N -1 1 392.467 1.796 20 0 GDADMM C[C@@H]1CCN(C(=O)Cc2ccccc2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576183296 950079695 /nfs/dbraw/zinc/07/96/95/950079695.db2.gz PCNRETRGRVZQNG-GDBMZVCRSA-N -1 1 392.467 1.796 20 0 GDADMM C[C@H](CC(=O)N[C@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccco1 ZINC001574492385 950081256 /nfs/dbraw/zinc/08/12/56/950081256.db2.gz MSYJSINTXGNGQZ-KZULUSFZSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](CC(=O)N[C@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574492385 950081276 /nfs/dbraw/zinc/08/12/76/950081276.db2.gz MSYJSINTXGNGQZ-KZULUSFZSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@]1(C(=O)NCC2(Nc3ccnc(-c4nn[n-]n4)n3)CC2)CCc2ccccc21 ZINC001575581987 950095219 /nfs/dbraw/zinc/09/52/19/950095219.db2.gz AUYRRGRQTRYPSN-IBGZPJMESA-N -1 1 390.451 1.043 20 0 GDADMM C[C@H]1CCN(C(=O)C2(C3CC3)CC2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576183601 950097106 /nfs/dbraw/zinc/09/71/06/950097106.db2.gz QLIODJCDZZDELQ-STQMWFEESA-N -1 1 382.472 1.743 20 0 GDADMM C[C@H]1CCN(C(=O)C2(C3CC3)CC2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576183601 950097128 /nfs/dbraw/zinc/09/71/28/950097128.db2.gz QLIODJCDZZDELQ-STQMWFEESA-N -1 1 382.472 1.743 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cc(F)c[nH]2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576183755 950100678 /nfs/dbraw/zinc/10/06/78/950100678.db2.gz ULDBLWQDUIGODV-GWCFXTLKSA-N -1 1 385.407 1.477 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cc(F)c[nH]2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576183755 950100686 /nfs/dbraw/zinc/10/06/86/950100686.db2.gz ULDBLWQDUIGODV-GWCFXTLKSA-N -1 1 385.407 1.477 20 0 GDADMM CC(C)[C@@H](CNC(=O)C[C@H](C)c1ccco1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574492764 950104175 /nfs/dbraw/zinc/10/41/75/950104175.db2.gz COQXTDBMOJRPDQ-QWHCGFSZSA-N -1 1 384.444 1.418 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](Nc1nccnc1-c1nnn[n-]1)C1CC1)n1cccc1 ZINC001574492862 950107106 /nfs/dbraw/zinc/10/71/06/950107106.db2.gz DHRKQWFOPIHXFT-JSGCOSHPSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](Nc1nccnc1-c1nn[n-]n1)C1CC1)n1cccc1 ZINC001574492862 950107116 /nfs/dbraw/zinc/10/71/16/950107116.db2.gz DHRKQWFOPIHXFT-JSGCOSHPSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccncc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574733436 950110232 /nfs/dbraw/zinc/11/02/32/950110232.db2.gz BCARHWMUSAGXMV-KWCYVHTRSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccncc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574733436 950110241 /nfs/dbraw/zinc/11/02/41/950110241.db2.gz BCARHWMUSAGXMV-KWCYVHTRSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(C3CC3)CC2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576184107 950117833 /nfs/dbraw/zinc/11/78/33/950117833.db2.gz UAIIDQDATRKDGC-OLZOCXBDSA-N -1 1 382.472 1.165 20 0 GDADMM CC(C)(C)CC(C)(C)C(=O)N(CCO)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001573838712 950118032 /nfs/dbraw/zinc/11/80/32/950118032.db2.gz HHKBJYCTVPBCLV-UHFFFAOYSA-N -1 1 390.492 1.352 20 0 GDADMM CC(C)(C)CC(C)(C)C(=O)N(CCO)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001573838712 950118048 /nfs/dbraw/zinc/11/80/48/950118048.db2.gz HHKBJYCTVPBCLV-UHFFFAOYSA-N -1 1 390.492 1.352 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574733571 950120137 /nfs/dbraw/zinc/12/01/37/950120137.db2.gz DMIHKJBETUKRBW-AEGPPILISA-N -1 1 378.440 1.719 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574733571 950120153 /nfs/dbraw/zinc/12/01/53/950120153.db2.gz DMIHKJBETUKRBW-AEGPPILISA-N -1 1 378.440 1.719 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)N(C)C[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574733594 950120753 /nfs/dbraw/zinc/12/07/53/950120753.db2.gz DQUFAUBTIRBFIM-KGLIPLIRSA-N -1 1 380.456 1.794 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)N(C)C[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574733594 950120767 /nfs/dbraw/zinc/12/07/67/950120767.db2.gz DQUFAUBTIRBFIM-KGLIPLIRSA-N -1 1 380.456 1.794 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H](C)Cc1ccccc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574734226 950130671 /nfs/dbraw/zinc/13/06/71/950130671.db2.gz KYJJWLYBDFTHKU-ZIAGYGMSSA-N -1 1 380.456 1.794 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H](C)Cc1ccccc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574734226 950130678 /nfs/dbraw/zinc/13/06/78/950130678.db2.gz KYJJWLYBDFTHKU-ZIAGYGMSSA-N -1 1 380.456 1.794 20 0 GDADMM C[C@H](CC(=O)NC1CC2(C1)CC(Nc1cncc(-c3nnn[n-]3)n1)C2)C1CC1 ZINC001574494014 950150950 /nfs/dbraw/zinc/15/09/50/950150950.db2.gz WPZJYHVZRCIJKY-KDBGQGEDSA-N -1 1 382.472 1.932 20 0 GDADMM C[C@H](CC(=O)NC1CC2(C1)CC(Nc1cncc(-c3nn[n-]n3)n1)C2)C1CC1 ZINC001574494014 950150961 /nfs/dbraw/zinc/15/09/61/950150961.db2.gz WPZJYHVZRCIJKY-KDBGQGEDSA-N -1 1 382.472 1.932 20 0 GDADMM CC1(C(=O)NCC2(Nc3nccnc3-c3nnn[n-]3)CCCC2)CCOCC1 ZINC001575583830 950153883 /nfs/dbraw/zinc/15/38/83/950153883.db2.gz UTRNKNHSKOENCB-UHFFFAOYSA-N -1 1 386.460 1.314 20 0 GDADMM CC1(C(=O)NCC2(Nc3nccnc3-c3nn[n-]n3)CCCC2)CCOCC1 ZINC001575583830 950153892 /nfs/dbraw/zinc/15/38/92/950153892.db2.gz UTRNKNHSKOENCB-UHFFFAOYSA-N -1 1 386.460 1.314 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cccnc2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576190350 950161006 /nfs/dbraw/zinc/16/10/06/950161006.db2.gz AJWXNVROXBYEGB-OCCSQVGLSA-N -1 1 379.428 1.262 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cccnc2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576190350 950161015 /nfs/dbraw/zinc/16/10/15/950161015.db2.gz AJWXNVROXBYEGB-OCCSQVGLSA-N -1 1 379.428 1.262 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1)C(F)(F)F ZINC001574494675 950179117 /nfs/dbraw/zinc/17/91/17/950179117.db2.gz MOOUOTCBDOZDBT-GZMMTYOYSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1)C(F)(F)F ZINC001574494675 950179129 /nfs/dbraw/zinc/17/91/29/950179129.db2.gz MOOUOTCBDOZDBT-GZMMTYOYSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccccn2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576190965 950180120 /nfs/dbraw/zinc/18/01/20/950180120.db2.gz FBQBJLUOPKVNDH-QWHCGFSZSA-N -1 1 379.428 1.262 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccccn2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576190965 950180129 /nfs/dbraw/zinc/18/01/29/950180129.db2.gz FBQBJLUOPKVNDH-QWHCGFSZSA-N -1 1 379.428 1.262 20 0 GDADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CCc1ccoc1 ZINC001574155254 950186620 /nfs/dbraw/zinc/18/66/20/950186620.db2.gz KPURFJWJUKSVIU-AWEZNQCLSA-N -1 1 384.444 1.247 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cncs2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576191479 950200010 /nfs/dbraw/zinc/20/00/10/950200010.db2.gz GWDGCKJOZKNASR-MNOVXSKESA-N -1 1 385.457 1.324 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cncs2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576191479 950200017 /nfs/dbraw/zinc/20/00/17/950200017.db2.gz GWDGCKJOZKNASR-MNOVXSKESA-N -1 1 385.457 1.324 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CCc1ccco1 ZINC001574155818 950213020 /nfs/dbraw/zinc/21/30/20/950213020.db2.gz RVHXWRONGMOTJI-CYBMUJFWSA-N -1 1 384.444 1.825 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CCc1ccco1 ZINC001574155818 950213038 /nfs/dbraw/zinc/21/30/38/950213038.db2.gz RVHXWRONGMOTJI-CYBMUJFWSA-N -1 1 384.444 1.825 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1)C(F)(F)F ZINC001574496448 950217910 /nfs/dbraw/zinc/21/79/10/950217910.db2.gz WCQQRVKWUCEAAF-PSASIEDQSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1)C(F)(F)F ZINC001574496448 950217929 /nfs/dbraw/zinc/21/79/29/950217929.db2.gz WCQQRVKWUCEAAF-PSASIEDQSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](CNC(=O)c1c[nH]nc1C(C)(C)C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574983447 950218082 /nfs/dbraw/zinc/21/80/82/950218082.db2.gz OBCVVRMIONPRRW-JTQLQIEISA-N -1 1 384.448 1.155 20 0 GDADMM C[C@H](CNC(=O)c1c[nH]nc1C(C)(C)C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574983447 950218104 /nfs/dbraw/zinc/21/81/04/950218104.db2.gz OBCVVRMIONPRRW-JTQLQIEISA-N -1 1 384.448 1.155 20 0 GDADMM CC1(C(=O)NCC2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)CC(F)(F)C1 ZINC001575586854 950222605 /nfs/dbraw/zinc/22/26/05/950222605.db2.gz KPAUMIIKKVYZOA-UHFFFAOYSA-N -1 1 392.414 1.425 20 0 GDADMM CC1(C(=O)NCC2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)CC(F)(F)C1 ZINC001575586854 950222623 /nfs/dbraw/zinc/22/26/23/950222623.db2.gz KPAUMIIKKVYZOA-UHFFFAOYSA-N -1 1 392.414 1.425 20 0 GDADMM C[C@@H]1CCN(C(=O)c2nccs2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576192060 950225093 /nfs/dbraw/zinc/22/50/93/950225093.db2.gz JSWMDHWPALABNJ-MNOVXSKESA-N -1 1 385.457 1.324 20 0 GDADMM C[C@@H]1CCN(C(=O)c2nccs2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576192060 950225109 /nfs/dbraw/zinc/22/51/09/950225109.db2.gz JSWMDHWPALABNJ-MNOVXSKESA-N -1 1 385.457 1.324 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1)CC(C)(C)C ZINC001574497663 950232876 /nfs/dbraw/zinc/23/28/76/950232876.db2.gz ASRXRZOZEJBCMB-RYUDHWBXSA-N -1 1 376.465 1.008 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1)CC(C)(C)C ZINC001574497663 950232890 /nfs/dbraw/zinc/23/28/90/950232890.db2.gz ASRXRZOZEJBCMB-RYUDHWBXSA-N -1 1 376.465 1.008 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C1CC(F)(F)C1 ZINC001574157475 950238197 /nfs/dbraw/zinc/23/81/97/950238197.db2.gz BUCKOMNYLFZWSP-NSHDSACASA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C1CC(F)(F)C1 ZINC001574157475 950238226 /nfs/dbraw/zinc/23/82/26/950238226.db2.gz BUCKOMNYLFZWSP-NSHDSACASA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)Cc1cncs1 ZINC001574157629 950244575 /nfs/dbraw/zinc/24/45/75/950244575.db2.gz FJYLBMFORMAHCC-LLVKDONJSA-N -1 1 387.473 1.299 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)Cc1cncs1 ZINC001574157629 950244593 /nfs/dbraw/zinc/24/45/93/950244593.db2.gz FJYLBMFORMAHCC-LLVKDONJSA-N -1 1 387.473 1.299 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccns2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576192574 950252873 /nfs/dbraw/zinc/25/28/73/950252873.db2.gz NRYBITCTGVHTNM-QWRGUYRKSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccns2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576192574 950252895 /nfs/dbraw/zinc/25/28/95/950252895.db2.gz NRYBITCTGVHTNM-QWRGUYRKSA-N -1 1 385.457 1.324 20 0 GDADMM CC1(C(=O)NCCC2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CCCC1 ZINC001575592074 950277316 /nfs/dbraw/zinc/27/73/16/950277316.db2.gz BTAMIIIQRKCNHD-UHFFFAOYSA-N -1 1 384.488 1.960 20 0 GDADMM CC1(C(=O)NCCC2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CCCC1 ZINC001575592074 950277334 /nfs/dbraw/zinc/27/73/34/950277334.db2.gz BTAMIIIQRKCNHD-UHFFFAOYSA-N -1 1 384.488 1.960 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CCc1ccon1 ZINC001574158278 950278795 /nfs/dbraw/zinc/27/87/95/950278795.db2.gz QEVFOOUETAHBPO-CYBMUJFWSA-N -1 1 385.432 1.220 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CCc1ccon1 ZINC001574158278 950278813 /nfs/dbraw/zinc/27/88/13/950278813.db2.gz QEVFOOUETAHBPO-CYBMUJFWSA-N -1 1 385.432 1.220 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H](C)n1cccc1 ZINC001574158767 950286562 /nfs/dbraw/zinc/28/65/62/950286562.db2.gz SCMSVUAWHSWAIM-ZIAGYGMSSA-N -1 1 383.460 1.662 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H](C)n1cccc1 ZINC001574158767 950286581 /nfs/dbraw/zinc/28/65/81/950286581.db2.gz SCMSVUAWHSWAIM-ZIAGYGMSSA-N -1 1 383.460 1.662 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CC1)c1ccncc1 ZINC001574498895 950290799 /nfs/dbraw/zinc/29/07/99/950290799.db2.gz QWJFHIXUEFHSBA-GFCCVEGCSA-N -1 1 379.428 1.306 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CC1)c1ccncc1 ZINC001574498895 950290815 /nfs/dbraw/zinc/29/08/15/950290815.db2.gz QWJFHIXUEFHSBA-GFCCVEGCSA-N -1 1 379.428 1.306 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)Cc1cccnc1 ZINC001574159314 950302729 /nfs/dbraw/zinc/30/27/29/950302729.db2.gz WEODITKXDMCIGT-CQSZACIVSA-N -1 1 381.444 1.237 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)Cc1cccnc1 ZINC001574159314 950302751 /nfs/dbraw/zinc/30/27/51/950302751.db2.gz WEODITKXDMCIGT-CQSZACIVSA-N -1 1 381.444 1.237 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C1(CCF)CC1 ZINC001574159384 950304848 /nfs/dbraw/zinc/30/48/48/950304848.db2.gz GRRGZRDSNHQNGP-LBPRGKRZSA-N -1 1 376.440 1.739 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C1(CCF)CC1 ZINC001574159384 950304862 /nfs/dbraw/zinc/30/48/62/950304862.db2.gz GRRGZRDSNHQNGP-LBPRGKRZSA-N -1 1 376.440 1.739 20 0 GDADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccoc1Cl ZINC001574159633 950310083 /nfs/dbraw/zinc/31/00/83/950310083.db2.gz XBOMRNLASWCERX-SNVBAGLBSA-N -1 1 390.835 1.582 20 0 GDADMM C[C@H](CC(=O)NCC1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001574499865 950310778 /nfs/dbraw/zinc/31/07/78/950310778.db2.gz XHZYOWOLOCXDPE-IYXRBSQSSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](CC(=O)NCC1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001574499865 950310802 /nfs/dbraw/zinc/31/08/02/950310802.db2.gz XHZYOWOLOCXDPE-IYXRBSQSSA-N -1 1 381.444 1.416 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[nH]n2)cn1)NC(=O)c1ncccc1[O-] ZINC001574159775 950319231 /nfs/dbraw/zinc/31/92/31/950319231.db2.gz ITPKFBHPDBSIMQ-LLVKDONJSA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)o2)[C@@H](F)C1 ZINC001573853762 950332977 /nfs/dbraw/zinc/33/29/77/950332977.db2.gz VFNCOJHOKHQHSP-UWVGGRQHSA-N -1 1 380.380 1.537 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)o2)[C@@H](F)C1 ZINC001573853762 950332997 /nfs/dbraw/zinc/33/29/97/950332997.db2.gz VFNCOJHOKHQHSP-UWVGGRQHSA-N -1 1 380.380 1.537 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCCCCN1c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001574501699 950341443 /nfs/dbraw/zinc/34/14/43/950341443.db2.gz GNTYGQZUAMQWMZ-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCCCCN1c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001574501699 950341463 /nfs/dbraw/zinc/34/14/63/950341463.db2.gz GNTYGQZUAMQWMZ-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001574501724 950343932 /nfs/dbraw/zinc/34/39/32/950343932.db2.gz GVMNELZYZCSYOJ-ZIAGYGMSSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574501724 950343952 /nfs/dbraw/zinc/34/39/52/950343952.db2.gz GVMNELZYZCSYOJ-ZIAGYGMSSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001574502094 950357098 /nfs/dbraw/zinc/35/70/98/950357098.db2.gz IUGHROFIWVLLJD-ZJUUUORDSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001574502094 950357114 /nfs/dbraw/zinc/35/71/14/950357114.db2.gz IUGHROFIWVLLJD-ZJUUUORDSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCCCCN1c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001574502103 950359105 /nfs/dbraw/zinc/35/91/05/950359105.db2.gz IWLYYXHLAPPTAD-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C(=O)NC[C@@H]2Cc3ccccc3CN2c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575596502 950376814 /nfs/dbraw/zinc/37/68/14/950376814.db2.gz SXNSESTVVUCIJH-HNNXBMFYSA-N -1 1 390.451 1.504 20 0 GDADMM CC1(C(=O)NC[C@@H]2Cc3ccccc3CN2c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575596502 950376833 /nfs/dbraw/zinc/37/68/33/950376833.db2.gz SXNSESTVVUCIJH-HNNXBMFYSA-N -1 1 390.451 1.504 20 0 GDADMM CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573856490 950385931 /nfs/dbraw/zinc/38/59/31/950385931.db2.gz AOJLJHPAEIWSGW-RNFRBKRXSA-N -1 1 387.853 1.369 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H](C)C(F)(F)F ZINC001574162705 950395544 /nfs/dbraw/zinc/39/55/44/950395544.db2.gz HIMRWXNRWHFGGX-UWVGGRQHSA-N -1 1 386.382 1.798 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H](C)C(F)(F)F ZINC001574162705 950395558 /nfs/dbraw/zinc/39/55/58/950395558.db2.gz HIMRWXNRWHFGGX-UWVGGRQHSA-N -1 1 386.382 1.798 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)c1ccco1 ZINC001574503480 950413594 /nfs/dbraw/zinc/41/35/94/950413594.db2.gz XCNKKMAVFUHRNR-STQMWFEESA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)c1ccco1 ZINC001574503480 950413607 /nfs/dbraw/zinc/41/36/07/950413607.db2.gz XCNKKMAVFUHRNR-STQMWFEESA-N -1 1 382.428 1.529 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C(C)(C)C(F)F ZINC001574162946 950414128 /nfs/dbraw/zinc/41/41/28/950414128.db2.gz NVECEANPGPMWKN-JTQLQIEISA-N -1 1 382.419 1.891 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C(C)(C)C(F)F ZINC001574162946 950414138 /nfs/dbraw/zinc/41/41/38/950414138.db2.gz NVECEANPGPMWKN-JTQLQIEISA-N -1 1 382.419 1.891 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)Cc1cncs1 ZINC001574163151 950417724 /nfs/dbraw/zinc/41/77/24/950417724.db2.gz QERQQCCKICILER-LLVKDONJSA-N -1 1 387.473 1.299 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)Cc1cncs1 ZINC001574163151 950417740 /nfs/dbraw/zinc/41/77/40/950417740.db2.gz QERQQCCKICILER-LLVKDONJSA-N -1 1 387.473 1.299 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)c1ccco1 ZINC001574503688 950419347 /nfs/dbraw/zinc/41/93/47/950419347.db2.gz YSWIKIGGLJSZRF-OLZOCXBDSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@]1(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CCc2ccccc21 ZINC001575599208 950428656 /nfs/dbraw/zinc/42/86/56/950428656.db2.gz HQZHRNBCOKGLHK-JLTOFOAXSA-N -1 1 390.451 1.256 20 0 GDADMM C[C@@]1(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CCc2ccccc21 ZINC001575599208 950428666 /nfs/dbraw/zinc/42/86/66/950428666.db2.gz HQZHRNBCOKGLHK-JLTOFOAXSA-N -1 1 390.451 1.256 20 0 GDADMM C[C@H](CC(=O)N[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1)c1cccc(F)c1 ZINC001574506082 950428818 /nfs/dbraw/zinc/42/88/18/950428818.db2.gz BBUILQKFNIAVGT-NEPJUHHUSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H](CC(=O)N[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001574506082 950428829 /nfs/dbraw/zinc/42/88/29/950428829.db2.gz BBUILQKFNIAVGT-NEPJUHHUSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H](CC(=O)N[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1)c1cccc(F)c1 ZINC001574506456 950437393 /nfs/dbraw/zinc/43/73/93/950437393.db2.gz DSODYSMWCRHILT-NEPJUHHUSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H](CC(=O)N[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1)c1cccc(F)c1 ZINC001574506456 950437404 /nfs/dbraw/zinc/43/74/04/950437404.db2.gz DSODYSMWCRHILT-NEPJUHHUSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001574507473 950454211 /nfs/dbraw/zinc/45/42/11/950454211.db2.gz JJMCIWVCGKOKFB-SOUVJXGZSA-N -1 1 395.471 1.806 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001574507473 950454224 /nfs/dbraw/zinc/45/42/24/950454224.db2.gz JJMCIWVCGKOKFB-SOUVJXGZSA-N -1 1 395.471 1.806 20 0 GDADMM CC(C)CC1(C(=O)NC[C@H](CO)Nc2ccc(-c3nnn[n-]3)nn2)CCCC1 ZINC001574165824 950454396 /nfs/dbraw/zinc/45/43/96/950454396.db2.gz JLAGSCVJRUCIEN-CYBMUJFWSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)CC1(C(=O)NC[C@H](CO)Nc2ccc(-c3nn[n-]n3)nn2)CCCC1 ZINC001574165824 950454410 /nfs/dbraw/zinc/45/44/10/950454410.db2.gz JLAGSCVJRUCIEN-CYBMUJFWSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)(C)OC(=O)N=c1[nH]c(CNc2ccnc(-c3nn[n-]n3)n2)cs1 ZINC001573861834 950454886 /nfs/dbraw/zinc/45/48/86/950454886.db2.gz IRPHRGAYYQCXGG-UHFFFAOYSA-N -1 1 375.418 1.494 20 0 GDADMM CC(C)CC1(C(=O)N2CCCN(c3nccnc3-c3nnn[n-]3)CC2)CCC1 ZINC001574166102 950460124 /nfs/dbraw/zinc/46/01/24/950460124.db2.gz MAFMDTUZINPHRN-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)CC1(C(=O)N2CCCN(c3nccnc3-c3nn[n-]n3)CC2)CCC1 ZINC001574166102 950460149 /nfs/dbraw/zinc/46/01/49/950460149.db2.gz MAFMDTUZINPHRN-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)[C@@H]1CCCO1 ZINC001574508092 950466624 /nfs/dbraw/zinc/46/66/24/950466624.db2.gz MKNZXWPJZNSKTQ-FQUUOJAGSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)[C@@H]1CCCO1 ZINC001574508092 950466636 /nfs/dbraw/zinc/46/66/36/950466636.db2.gz MKNZXWPJZNSKTQ-FQUUOJAGSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc2cc[nH]c2c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574752606 950492647 /nfs/dbraw/zinc/49/26/47/950492647.db2.gz DGOYJTXSRNDGMN-NSHDSACASA-N -1 1 377.412 1.711 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc2cc[nH]c2c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574752606 950492658 /nfs/dbraw/zinc/49/26/58/950492658.db2.gz DGOYJTXSRNDGMN-NSHDSACASA-N -1 1 377.412 1.711 20 0 GDADMM CC(C)(C)OCC(=O)N1CCC[C@H]2[C@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001573866456 950503174 /nfs/dbraw/zinc/50/31/74/950503174.db2.gz CRERJMVZJVGSFZ-QWHCGFSZSA-N -1 1 386.460 1.042 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc2c(c1)CCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001574753033 950506815 /nfs/dbraw/zinc/50/68/15/950506815.db2.gz IMSANMMPWPRHBF-LBPRGKRZSA-N -1 1 378.440 1.718 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc2c(c1)CCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001574753033 950506833 /nfs/dbraw/zinc/50/68/33/950506833.db2.gz IMSANMMPWPRHBF-LBPRGKRZSA-N -1 1 378.440 1.718 20 0 GDADMM CC(C)CC1(CNC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CCCC1 ZINC001574168268 950509802 /nfs/dbraw/zinc/50/98/02/950509802.db2.gz QTKKGARNSIICQR-UHFFFAOYSA-N -1 1 389.460 1.242 20 0 GDADMM CC(C)c1ccc(C(=O)N(C)C[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)cn1 ZINC001574752986 950509991 /nfs/dbraw/zinc/50/99/91/950509991.db2.gz HTAMFLREFMYFQE-LBPRGKRZSA-N -1 1 381.444 1.748 20 0 GDADMM CC(C)c1ccc(C(=O)N(C)C[C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)cn1 ZINC001574752986 950510012 /nfs/dbraw/zinc/51/00/12/950510012.db2.gz HTAMFLREFMYFQE-LBPRGKRZSA-N -1 1 381.444 1.748 20 0 GDADMM C[C@@]1(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CCc2ccccc21 ZINC001575609194 950520310 /nfs/dbraw/zinc/52/03/10/950520310.db2.gz VISMOJCRGVVDEA-LAPQFRIASA-N -1 1 390.451 1.620 20 0 GDADMM C[C@@]1(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CCc2ccccc21 ZINC001575609194 950520327 /nfs/dbraw/zinc/52/03/27/950520327.db2.gz VISMOJCRGVVDEA-LAPQFRIASA-N -1 1 390.451 1.620 20 0 GDADMM CC(C)(C)OCC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001573867167 950523171 /nfs/dbraw/zinc/52/31/71/950523171.db2.gz RSPCTCRPOLOJRX-BETUJISGSA-N -1 1 386.460 1.042 20 0 GDADMM CC(C)(C)OCC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001573867167 950523194 /nfs/dbraw/zinc/52/31/94/950523194.db2.gz RSPCTCRPOLOJRX-BETUJISGSA-N -1 1 386.460 1.042 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cc(C2CC2)on1 ZINC001575916576 950544183 /nfs/dbraw/zinc/54/41/83/950544183.db2.gz QODDOWRWCBAJEM-ONGXEEELSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cc(C2CC2)on1 ZINC001575916576 950544190 /nfs/dbraw/zinc/54/41/90/950544190.db2.gz QODDOWRWCBAJEM-ONGXEEELSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C)C(F)(F)F ZINC001574511911 950575822 /nfs/dbraw/zinc/57/58/22/950575822.db2.gz WAVFEQDIXKJOSS-WCABBAIRSA-N -1 1 384.366 1.186 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C)C(F)(F)F ZINC001574511911 950575842 /nfs/dbraw/zinc/57/58/42/950575842.db2.gz WAVFEQDIXKJOSS-WCABBAIRSA-N -1 1 384.366 1.186 20 0 GDADMM CC(C)(C)OCC(=O)N[C@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001573869921 950581434 /nfs/dbraw/zinc/58/14/34/950581434.db2.gz RQLGZJMAZJKALV-ACJLOTCBSA-N -1 1 386.460 1.089 20 0 GDADMM CC(C)(C)OCC(=O)N[C@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001573869921 950581453 /nfs/dbraw/zinc/58/14/53/950581453.db2.gz RQLGZJMAZJKALV-ACJLOTCBSA-N -1 1 386.460 1.089 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccnc(C2CC2)c1 ZINC001575918443 950591427 /nfs/dbraw/zinc/59/14/27/950591427.db2.gz BWOGPFCKGPGTRT-BXUZGUMPSA-N -1 1 391.439 1.644 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccnc(C2CC2)c1 ZINC001575918443 950591435 /nfs/dbraw/zinc/59/14/35/950591435.db2.gz BWOGPFCKGPGTRT-BXUZGUMPSA-N -1 1 391.439 1.644 20 0 GDADMM CC(C)(C)OCC(=O)N[C@]12CCC[C@H]1N(c1nccnc1-c1nnn[n-]1)CC2 ZINC001573870838 950602093 /nfs/dbraw/zinc/60/20/93/950602093.db2.gz XWABFIBXGFJPJT-XIKOKIGWSA-N -1 1 386.460 1.089 20 0 GDADMM CC(C)(C)OCC(=O)N[C@]12CCC[C@H]1N(c1nccnc1-c1nn[n-]n1)CC2 ZINC001573870838 950602103 /nfs/dbraw/zinc/60/21/03/950602103.db2.gz XWABFIBXGFJPJT-XIKOKIGWSA-N -1 1 386.460 1.089 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)no1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575000426 950603439 /nfs/dbraw/zinc/60/34/39/950603439.db2.gz CUYXRVRCKWWRDI-BYPYZUCNSA-N -1 1 389.228 1.848 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)no1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575000426 950603456 /nfs/dbraw/zinc/60/34/56/950603456.db2.gz CUYXRVRCKWWRDI-BYPYZUCNSA-N -1 1 389.228 1.848 20 0 GDADMM C[C@H](CN(C)C(=O)c1cccnc1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574758273 950609201 /nfs/dbraw/zinc/60/92/01/950609201.db2.gz ADAJJEVJTNSJLE-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CN(C)C(=O)c1cccnc1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574758273 950609210 /nfs/dbraw/zinc/60/92/10/950609210.db2.gz ADAJJEVJTNSJLE-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1cccs1 ZINC001575919363 950609716 /nfs/dbraw/zinc/60/97/16/950609716.db2.gz HAPNOXNDHBCURI-WCQYABFASA-N -1 1 384.469 1.174 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccoc1C1CC1 ZINC001575919622 950617625 /nfs/dbraw/zinc/61/76/25/950617625.db2.gz IMOOZHNBJUMQHB-MFKMUULPSA-N -1 1 380.412 1.842 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccoc1C1CC1 ZINC001575919622 950617641 /nfs/dbraw/zinc/61/76/41/950617641.db2.gz IMOOZHNBJUMQHB-MFKMUULPSA-N -1 1 380.412 1.842 20 0 GDADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)C1CCC(C)(C)CC1 ZINC001575920277 950631411 /nfs/dbraw/zinc/63/14/11/950631411.db2.gz MDSMKFHKHSXPIK-JSGCOSHPSA-N -1 1 384.488 1.696 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)c(F)c(F)c1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575001526 950636512 /nfs/dbraw/zinc/63/65/12/950636512.db2.gz MMVHNEXWQTZCGK-MRVPVSSYSA-N -1 1 392.345 1.329 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)c(F)c(F)c1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575001526 950636527 /nfs/dbraw/zinc/63/65/27/950636527.db2.gz MMVHNEXWQTZCGK-MRVPVSSYSA-N -1 1 392.345 1.329 20 0 GDADMM C[C@H](CNC(=O)c1cc2c(o1)CCCC2)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575001884 950646658 /nfs/dbraw/zinc/64/66/58/950646658.db2.gz OBEKWZNWLZONOV-LLVKDONJSA-N -1 1 382.428 1.383 20 0 GDADMM C[C@H](CNC(=O)c1cc2c(o1)CCCC2)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575001884 950646669 /nfs/dbraw/zinc/64/66/69/950646669.db2.gz OBEKWZNWLZONOV-LLVKDONJSA-N -1 1 382.428 1.383 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1cccnc1 ZINC001575922828 950649325 /nfs/dbraw/zinc/64/93/25/950649325.db2.gz ASUXTCINLYSCKB-GXTWGEPZSA-N -1 1 379.428 1.086 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1cccnc1 ZINC001575922828 950649335 /nfs/dbraw/zinc/64/93/35/950649335.db2.gz ASUXTCINLYSCKB-GXTWGEPZSA-N -1 1 379.428 1.086 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1C[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573873687 950652555 /nfs/dbraw/zinc/65/25/55/950652555.db2.gz YFJAXZHRCQTVOA-ZKCHVHJHSA-N -1 1 385.881 1.851 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1C[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573873687 950652572 /nfs/dbraw/zinc/65/25/72/950652572.db2.gz YFJAXZHRCQTVOA-ZKCHVHJHSA-N -1 1 385.881 1.851 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccn(C)n1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574760557 950667946 /nfs/dbraw/zinc/66/79/46/950667946.db2.gz WZKUWILQIQTWQA-ZETCQYMHSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@@H](CNC(=O)c1cc2c(s1)CCC2)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575003135 950672571 /nfs/dbraw/zinc/67/25/71/950672571.db2.gz YFWACVZEQCQSTO-SNVBAGLBSA-N -1 1 384.469 1.685 20 0 GDADMM C[C@@H](CNC(=O)c1cc2c(s1)CCC2)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575003135 950672593 /nfs/dbraw/zinc/67/25/93/950672593.db2.gz YFWACVZEQCQSTO-SNVBAGLBSA-N -1 1 384.469 1.685 20 0 GDADMM C[C@H]1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC001576214551 950674979 /nfs/dbraw/zinc/67/49/79/950674979.db2.gz PTXWGMCWZNGQON-ZDUSSCGKSA-N -1 1 391.439 1.932 20 0 GDADMM C[C@H]1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC001576214551 950674989 /nfs/dbraw/zinc/67/49/89/950674989.db2.gz PTXWGMCWZNGQON-ZDUSSCGKSA-N -1 1 391.439 1.932 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@]12CCC[C@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001573877828 950696272 /nfs/dbraw/zinc/69/62/72/950696272.db2.gz HQPYOWWNIGKWBO-VHTZSSMTSA-N -1 1 396.499 1.957 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@]12CCC[C@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001573877828 950696291 /nfs/dbraw/zinc/69/62/91/950696291.db2.gz HQPYOWWNIGKWBO-VHTZSSMTSA-N -1 1 396.499 1.957 20 0 GDADMM C[C@H](CNC(=O)c1cc2n(c1)CCCC2)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575006043 950710035 /nfs/dbraw/zinc/71/00/35/950710035.db2.gz QZDHAPADGVGARF-LBPRGKRZSA-N -1 1 381.444 1.273 20 0 GDADMM C[C@H](CNC(=O)c1cc2n(c1)CCCC2)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575006043 950710049 /nfs/dbraw/zinc/71/00/49/950710049.db2.gz QZDHAPADGVGARF-LBPRGKRZSA-N -1 1 381.444 1.273 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)C1CCC(F)(F)CC1 ZINC001575926615 950718441 /nfs/dbraw/zinc/71/84/41/950718441.db2.gz KTSJJDYIHIUWQE-CMPLNLGQSA-N -1 1 392.414 1.884 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)C1CCC(F)(F)CC1 ZINC001575926615 950718458 /nfs/dbraw/zinc/71/84/58/950718458.db2.gz KTSJJDYIHIUWQE-CMPLNLGQSA-N -1 1 392.414 1.884 20 0 GDADMM CC(C)(C)c1cc(NC(=O)Cc2ccc(C(N)=O)nc2)c(-c2nnn[n-]2)s1 ZINC001573879774 950733279 /nfs/dbraw/zinc/73/32/79/950733279.db2.gz LYOGLCODWMQSEV-UHFFFAOYSA-N -1 1 385.453 1.901 20 0 GDADMM CC(C)(C)c1cc(NC(=O)Cc2ccc(C(N)=O)nc2)c(-c2nn[n-]n2)s1 ZINC001573879774 950733289 /nfs/dbraw/zinc/73/32/89/950733289.db2.gz LYOGLCODWMQSEV-UHFFFAOYSA-N -1 1 385.453 1.901 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1 ZINC001573879891 950733525 /nfs/dbraw/zinc/73/35/25/950733525.db2.gz NQDCKANTOKQDEJ-KSTCHIGDSA-N -1 1 382.472 1.565 20 0 GDADMM CC(C)(C)c1cc(C(=O)NCC=CCNc2cncc(-c3nnn[n-]3)n2)[nH]n1 ZINC001573879780 950733656 /nfs/dbraw/zinc/73/36/56/950733656.db2.gz MKEYXRDMIYZFEY-PLNGDYQASA-N -1 1 382.432 1.075 20 0 GDADMM CC(C)(C)c1cc(C(=O)NCC=CCNc2cncc(-c3nn[n-]n3)n2)[nH]n1 ZINC001573879780 950733668 /nfs/dbraw/zinc/73/36/68/950733668.db2.gz MKEYXRDMIYZFEY-PLNGDYQASA-N -1 1 382.432 1.075 20 0 GDADMM C[C@H](CN(C)C(=O)c1cncnc1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574764481 950753086 /nfs/dbraw/zinc/75/30/86/950753086.db2.gz UFJGUOGLDZWFQV-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CN(C)C(=O)c1cncnc1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574764481 950753103 /nfs/dbraw/zinc/75/31/03/950753103.db2.gz UFJGUOGLDZWFQV-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM CC(C)(C)c1ccc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)cc1 ZINC001573881840 950759342 /nfs/dbraw/zinc/75/93/42/950759342.db2.gz IRTUSQDGYJWOBE-UHFFFAOYSA-N -1 1 392.467 1.917 20 0 GDADMM CC(C)(C)c1ccc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)cc1 ZINC001573881840 950759352 /nfs/dbraw/zinc/75/93/52/950759352.db2.gz IRTUSQDGYJWOBE-UHFFFAOYSA-N -1 1 392.467 1.917 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576217495 950764849 /nfs/dbraw/zinc/76/48/49/950764849.db2.gz IFZYPXIVABIVKM-MNOVXSKESA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576217495 950764867 /nfs/dbraw/zinc/76/48/67/950764867.db2.gz IFZYPXIVABIVKM-MNOVXSKESA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H]1CN(C(=O)C(C2CC2)C2CC2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576217721 950768850 /nfs/dbraw/zinc/76/88/50/950768850.db2.gz IULVVCULNDFYNR-FZMZJTMJSA-N -1 1 382.472 1.599 20 0 GDADMM C[C@H]1CN(C(=O)C(C2CC2)C2CC2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576217721 950768862 /nfs/dbraw/zinc/76/88/62/950768862.db2.gz IULVVCULNDFYNR-FZMZJTMJSA-N -1 1 382.472 1.599 20 0 GDADMM C[C@H](CN(C)C(=O)c1coc(CC2CC2)n1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574764961 950769251 /nfs/dbraw/zinc/76/92/51/950769251.db2.gz APXIQMANBMVGEP-SNVBAGLBSA-N -1 1 383.416 1.170 20 0 GDADMM C[C@H](CN(C)C(=O)c1coc(CC2CC2)n1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574764961 950769265 /nfs/dbraw/zinc/76/92/65/950769265.db2.gz APXIQMANBMVGEP-SNVBAGLBSA-N -1 1 383.416 1.170 20 0 GDADMM CC1(C)CC(C(=O)NCCC[C@H]2CCCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001575631210 950775177 /nfs/dbraw/zinc/77/51/77/950775177.db2.gz LVDLCRUSRHJURU-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CC(C(=O)NCCC[C@H]2CCCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001575631210 950775192 /nfs/dbraw/zinc/77/51/92/950775192.db2.gz LVDLCRUSRHJURU-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCC1CCOCC1 ZINC001575928208 950777667 /nfs/dbraw/zinc/77/76/67/950777667.db2.gz ZWRWAMKKIJLACI-TZMCWYRMSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCC1CCOCC1 ZINC001575928208 950777682 /nfs/dbraw/zinc/77/76/82/950777682.db2.gz ZWRWAMKKIJLACI-TZMCWYRMSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H](CN(C)C(=O)c1cscc1Cl)Nc1nccnc1-c1nnn[n-]1 ZINC001574765264 950783013 /nfs/dbraw/zinc/78/30/13/950783013.db2.gz HAFOECIIESJPRQ-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CN(C)C(=O)c1cscc1Cl)Nc1nccnc1-c1nn[n-]n1 ZINC001574765264 950783032 /nfs/dbraw/zinc/78/30/32/950783032.db2.gz HAFOECIIESJPRQ-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H]1CN(C(=O)C(C2CC2)C2CC2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576218405 950791704 /nfs/dbraw/zinc/79/17/04/950791704.db2.gz LVVVPSYIGQLKHN-RISCZKNCSA-N -1 1 382.472 1.599 20 0 GDADMM C[C@@H]1CN(C(=O)C(C2CC2)C2CC2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576218405 950791718 /nfs/dbraw/zinc/79/17/18/950791718.db2.gz LVVVPSYIGQLKHN-RISCZKNCSA-N -1 1 382.472 1.599 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)(F)F)CC2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576219564 950809964 /nfs/dbraw/zinc/80/99/64/950809964.db2.gz OJKKFZJGIGFFKW-SCZZXKLOSA-N -1 1 382.350 1.258 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)(F)F)CC2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576219564 950809980 /nfs/dbraw/zinc/80/99/80/950809980.db2.gz OJKKFZJGIGFFKW-SCZZXKLOSA-N -1 1 382.350 1.258 20 0 GDADMM CC1(C)CC(CC(=O)N2C[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@@]3(C)C2)C1 ZINC001575633744 950821293 /nfs/dbraw/zinc/82/12/93/950821293.db2.gz VOTJEQXKMAUMBE-VLIAUNLRSA-N -1 1 396.499 1.768 20 0 GDADMM CC1(C)CC(CC(=O)N2C[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@@]3(C)C2)C1 ZINC001575633744 950821322 /nfs/dbraw/zinc/82/13/22/950821322.db2.gz VOTJEQXKMAUMBE-VLIAUNLRSA-N -1 1 396.499 1.768 20 0 GDADMM CC(C)CCCC(=O)N1CC[C@H]2[C@@H](CCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001574187821 950840283 /nfs/dbraw/zinc/84/02/83/950840283.db2.gz QVFHQJZVBUHJEY-GJZGRUSLSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CCCC(=O)N1CC[C@H]2[C@@H](CCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001574187821 950840308 /nfs/dbraw/zinc/84/03/08/950840308.db2.gz QVFHQJZVBUHJEY-GJZGRUSLSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cscc1Cl)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574767618 950858073 /nfs/dbraw/zinc/85/80/73/950858073.db2.gz TYVRPEXQPAQGSP-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cscc1Cl)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574767618 950858088 /nfs/dbraw/zinc/85/80/88/950858088.db2.gz TYVRPEXQPAQGSP-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)COCC1CCCC1 ZINC001575934995 950871833 /nfs/dbraw/zinc/87/18/33/950871833.db2.gz UGPJULOMCUERDX-JSGCOSHPSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)COCC1CCCC1 ZINC001575934995 950871848 /nfs/dbraw/zinc/87/18/48/950871848.db2.gz UGPJULOMCUERDX-JSGCOSHPSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H]1[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)CCN1C(=O)c1cnon1 ZINC001575935409 950879334 /nfs/dbraw/zinc/87/93/34/950879334.db2.gz WBXVGLYHOAZDNH-NTSWFWBYSA-N -1 1 381.809 1.075 20 0 GDADMM C[C@H]1[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCN1C(=O)c1cnon1 ZINC001575935409 950879347 /nfs/dbraw/zinc/87/93/47/950879347.db2.gz WBXVGLYHOAZDNH-NTSWFWBYSA-N -1 1 381.809 1.075 20 0 GDADMM C[C@@H]1CN(C(=O)C2CC3(CCC3)C2)CC[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576226434 950881237 /nfs/dbraw/zinc/88/12/37/950881237.db2.gz BIAMDGPSJFUORN-OCCSQVGLSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@@H]1CN(C(=O)C2CC3(CCC3)C2)CC[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576226434 950881254 /nfs/dbraw/zinc/88/12/54/950881254.db2.gz BIAMDGPSJFUORN-OCCSQVGLSA-N -1 1 382.472 1.886 20 0 GDADMM CC(C)n1cnc(C(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)[C@H]2C)c1 ZINC001575935465 950881874 /nfs/dbraw/zinc/88/18/74/950881874.db2.gz WUUKUTQGPMWQLQ-NEPJUHHUSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1cnc(C(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)[C@H]2C)c1 ZINC001575935465 950881886 /nfs/dbraw/zinc/88/18/86/950881886.db2.gz WUUKUTQGPMWQLQ-NEPJUHHUSA-N -1 1 382.432 1.149 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ocnc1C1CC1 ZINC001575935576 950887109 /nfs/dbraw/zinc/88/71/09/950887109.db2.gz YERDCNORCBOAMJ-MWLCHTKSSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ocnc1C1CC1 ZINC001575935576 950887126 /nfs/dbraw/zinc/88/71/26/950887126.db2.gz YERDCNORCBOAMJ-MWLCHTKSSA-N -1 1 381.400 1.237 20 0 GDADMM CC(C)CCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001574189567 950887129 /nfs/dbraw/zinc/88/71/29/950887129.db2.gz NUPLTKPPRLZXIM-ZNMIVQPWSA-N -1 1 384.488 1.957 20 0 GDADMM CC(C)CCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001574189567 950887137 /nfs/dbraw/zinc/88/71/37/950887137.db2.gz NUPLTKPPRLZXIM-ZNMIVQPWSA-N -1 1 384.488 1.957 20 0 GDADMM CC(C)(CC(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001573893664 950894431 /nfs/dbraw/zinc/89/44/31/950894431.db2.gz QEOXTXILFLZXMN-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)(CC(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001573893664 950894445 /nfs/dbraw/zinc/89/44/45/950894445.db2.gz QEOXTXILFLZXMN-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)CCCC(=O)NC1(CNc2cncc(-c3nnn[n-]3)n2)CCOCC1 ZINC001574189647 950894571 /nfs/dbraw/zinc/89/45/71/950894571.db2.gz OYSDGSQFNCMETD-UHFFFAOYSA-N -1 1 388.476 1.560 20 0 GDADMM CC(C)CCCC(=O)NC1(CNc2cncc(-c3nn[n-]n3)n2)CCOCC1 ZINC001574189647 950894590 /nfs/dbraw/zinc/89/45/90/950894590.db2.gz OYSDGSQFNCMETD-UHFFFAOYSA-N -1 1 388.476 1.560 20 0 GDADMM C[C@H](CN(C)C(=O)c1ncc(Cl)s1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574768633 950895983 /nfs/dbraw/zinc/89/59/83/950895983.db2.gz ZWYJPPYHUUKTJZ-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CN(C)C(=O)c1ncc(Cl)s1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574768633 950895998 /nfs/dbraw/zinc/89/59/98/950895998.db2.gz ZWYJPPYHUUKTJZ-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H]1CN(C(=O)C2Cc3ccccc3C2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576228074 950930786 /nfs/dbraw/zinc/93/07/86/950930786.db2.gz IQMFTDPLZWNJKQ-SJKOYZFVSA-N -1 1 390.451 1.331 20 0 GDADMM C[C@@H]1CN(C(=O)C2Cc3ccccc3C2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576228074 950930797 /nfs/dbraw/zinc/93/07/97/950930797.db2.gz IQMFTDPLZWNJKQ-SJKOYZFVSA-N -1 1 390.451 1.331 20 0 GDADMM C[C@@H]1CC(=O)Nc2ccc(C(=O)NCc3ccnc(-c4nnn[n-]4)c3)cc2N1 ZINC001575936930 950933147 /nfs/dbraw/zinc/93/31/47/950933147.db2.gz BATGOKYAFIKJDL-SNVBAGLBSA-N -1 1 378.396 1.334 20 0 GDADMM C[C@@H]1CC(=O)Nc2ccc(C(=O)NCc3ccnc(-c4nn[n-]n4)c3)cc2N1 ZINC001575936930 950933155 /nfs/dbraw/zinc/93/31/55/950933155.db2.gz BATGOKYAFIKJDL-SNVBAGLBSA-N -1 1 378.396 1.334 20 0 GDADMM CC1CC(C(=O)N(C)C[C@H](O)CNc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001575937212 950940103 /nfs/dbraw/zinc/94/01/03/950940103.db2.gz CVVDJTMEKRBQBH-AMDVSUOASA-N -1 1 385.881 1.254 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576228551 950943645 /nfs/dbraw/zinc/94/36/45/950943645.db2.gz HPZYHHTVQHSEOV-NXEZZACHSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576228551 950943687 /nfs/dbraw/zinc/94/36/87/950943687.db2.gz HPZYHHTVQHSEOV-NXEZZACHSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C3CCC3)CCC2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576228609 950950074 /nfs/dbraw/zinc/95/00/74/950950074.db2.gz HWIATKBVUHGJLH-IUODEOHRSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C3CCC3)CCC2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576228609 950950087 /nfs/dbraw/zinc/95/00/87/950950087.db2.gz HWIATKBVUHGJLH-IUODEOHRSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@H]1CN(C(=O)C2(CF)CCC2)CC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576229087 950957304 /nfs/dbraw/zinc/95/73/04/950957304.db2.gz ITXVNURCDKGLRE-QWHCGFSZSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@H]1CN(C(=O)C2(CF)CCC2)CC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576229087 950957316 /nfs/dbraw/zinc/95/73/16/950957316.db2.gz ITXVNURCDKGLRE-QWHCGFSZSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc(Cl)no1 ZINC001575937668 950957697 /nfs/dbraw/zinc/95/76/97/950957697.db2.gz LEAZSTDAYXRLKF-SFYZADRCSA-N -1 1 375.780 1.013 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc(Cl)no1 ZINC001575937668 950957719 /nfs/dbraw/zinc/95/77/19/950957719.db2.gz LEAZSTDAYXRLKF-SFYZADRCSA-N -1 1 375.780 1.013 20 0 GDADMM CC(C)(CC(=O)NC[C@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573897454 950961980 /nfs/dbraw/zinc/96/19/80/950961980.db2.gz PRXRTRFSLMNADJ-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(CC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CC1)c1ccccc1 ZINC001573897468 950963046 /nfs/dbraw/zinc/96/30/46/950963046.db2.gz QAXBKHQBXSBAIM-UHFFFAOYSA-N -1 1 392.467 1.507 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001573897809 950965360 /nfs/dbraw/zinc/96/53/60/950965360.db2.gz TVPJQAWUBUUWOM-GXTWGEPZSA-N -1 1 384.488 1.602 20 0 GDADMM C[C@H]1CN(C(=O)CC(C)(C)C2CC2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576229474 950968610 /nfs/dbraw/zinc/96/86/10/950968610.db2.gz NBXZUFIJAXQCNQ-STQMWFEESA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H]1CN(C(=O)CC(C)(C)C2CC2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576229474 950968629 /nfs/dbraw/zinc/96/86/29/950968629.db2.gz NBXZUFIJAXQCNQ-STQMWFEESA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H]1CN(C(=O)C2(C3CCC3)CCC2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576229537 950972577 /nfs/dbraw/zinc/97/25/77/950972577.db2.gz KDQBHAHKRJHTMH-SWLSCSKDSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@H]1CN(C(=O)C2(C3CCC3)CCC2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576229537 950972591 /nfs/dbraw/zinc/97/25/91/950972591.db2.gz KDQBHAHKRJHTMH-SWLSCSKDSA-N -1 1 382.472 1.886 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573899997 950992165 /nfs/dbraw/zinc/99/21/65/950992165.db2.gz OJGDQJCEQHOOAK-DTORHVGOSA-N -1 1 384.366 1.694 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573899997 950992181 /nfs/dbraw/zinc/99/21/81/950992181.db2.gz OJGDQJCEQHOOAK-DTORHVGOSA-N -1 1 384.366 1.694 20 0 GDADMM CC(C)(CC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001573900031 950994764 /nfs/dbraw/zinc/99/47/64/950994764.db2.gz PZDIEEKVPPBDNP-DTORHVGOSA-N -1 1 384.366 1.694 20 0 GDADMM CC(C)(CC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001573900031 950994780 /nfs/dbraw/zinc/99/47/80/950994780.db2.gz PZDIEEKVPPBDNP-DTORHVGOSA-N -1 1 384.366 1.694 20 0 GDADMM CC(C)(CC(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573900245 951001737 /nfs/dbraw/zinc/00/17/37/951001737.db2.gz WUYLIUICRIXWGY-KYZUINATSA-N -1 1 384.366 1.116 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)F)c(F)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575019424 951037210 /nfs/dbraw/zinc/03/72/10/951037210.db2.gz SZCWFSWFGQOEGC-MRVPVSSYSA-N -1 1 392.345 1.386 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)F)cc1F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575019376 951038478 /nfs/dbraw/zinc/03/84/78/951038478.db2.gz STKPQJJLMBIWPC-QMMMGPOBSA-N -1 1 392.345 1.386 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)c(F)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575022758 951073851 /nfs/dbraw/zinc/07/38/51/951073851.db2.gz JARASAYYWWATKQ-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)c(F)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575022758 951073864 /nfs/dbraw/zinc/07/38/64/951073864.db2.gz JARASAYYWWATKQ-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)cc1F)Nc1nccnc1-c1nnn[n-]1 ZINC001575023537 951078100 /nfs/dbraw/zinc/07/81/00/951078100.db2.gz NGACMSBFDSVJRK-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)cc1F)Nc1nccnc1-c1nn[n-]n1 ZINC001575023537 951078110 /nfs/dbraw/zinc/07/81/10/951078110.db2.gz NGACMSBFDSVJRK-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)c(F)c1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575023557 951080116 /nfs/dbraw/zinc/08/01/16/951080116.db2.gz NPNRIHLAKFIZIO-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)c(F)c1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575023557 951080129 /nfs/dbraw/zinc/08/01/29/951080129.db2.gz NPNRIHLAKFIZIO-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)s1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575023886 951086021 /nfs/dbraw/zinc/08/60/21/951086021.db2.gz RLCRUGFXUGLBFK-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)s1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575023886 951086029 /nfs/dbraw/zinc/08/60/29/951086029.db2.gz RLCRUGFXUGLBFK-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)CN(C)CCCC(=O)[O-] ZINC001591269201 951106896 /nfs/dbraw/zinc/10/68/96/951106896.db2.gz WXDFCEABUPDGIE-UHFFFAOYSA-N -1 1 388.424 1.784 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2ncccc2c1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575026248 951140794 /nfs/dbraw/zinc/14/07/94/951140794.db2.gz HQMHOPVFZBVUQZ-GFCCVEGCSA-N -1 1 389.423 1.683 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2ncccc2c1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575026248 951140803 /nfs/dbraw/zinc/14/08/03/951140803.db2.gz HQMHOPVFZBVUQZ-GFCCVEGCSA-N -1 1 389.423 1.683 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(C(F)F)c1F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575028062 951167866 /nfs/dbraw/zinc/16/78/66/951167866.db2.gz UBSJEMFBJHRSDT-QMMMGPOBSA-N -1 1 392.345 1.964 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(C(F)F)c1F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575028062 951167869 /nfs/dbraw/zinc/16/78/69/951167869.db2.gz UBSJEMFBJHRSDT-QMMMGPOBSA-N -1 1 392.345 1.964 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(-c2nnn[n-]2)n1)c1ccc(S(C)(=O)=O)cc1 ZINC001575028460 951174630 /nfs/dbraw/zinc/17/46/30/951174630.db2.gz XJHGFPRYGCBLDQ-NSHDSACASA-N -1 1 386.437 1.199 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(-c2nn[n-]n2)n1)c1ccc(S(C)(=O)=O)cc1 ZINC001575028460 951174638 /nfs/dbraw/zinc/17/46/38/951174638.db2.gz XJHGFPRYGCBLDQ-NSHDSACASA-N -1 1 386.437 1.199 20 0 GDADMM C[C@H](CNC(=O)c1cccn1C)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575031460 951193364 /nfs/dbraw/zinc/19/33/64/951193364.db2.gz ALIOGXIANIEPPU-MRVPVSSYSA-N -1 1 380.865 1.570 20 0 GDADMM C[C@@H](CNC(=O)c1cccn1C)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575031810 951205167 /nfs/dbraw/zinc/20/51/67/951205167.db2.gz JMSHFRXZUSGYQR-QMMMGPOBSA-N -1 1 380.865 1.570 20 0 GDADMM C[C@@H](CNC(=O)c1cccn1C)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575031810 951205186 /nfs/dbraw/zinc/20/51/86/951205186.db2.gz JMSHFRXZUSGYQR-QMMMGPOBSA-N -1 1 380.865 1.570 20 0 GDADMM CC(C)Oc1cc(C(=O)NC[C@H](C)Nc2nccnc2-c2nnn[n-]2)ccn1 ZINC001575036733 951302592 /nfs/dbraw/zinc/30/25/92/951302592.db2.gz XHSLDNGCIOZDNH-NSHDSACASA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1cc(C(=O)NC[C@H](C)Nc2nccnc2-c2nn[n-]n2)ccn1 ZINC001575036733 951302608 /nfs/dbraw/zinc/30/26/08/951302608.db2.gz XHSLDNGCIOZDNH-NSHDSACASA-N -1 1 383.416 1.069 20 0 GDADMM C[C@H](CNC(=O)c1ccsn1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575038251 951318975 /nfs/dbraw/zinc/31/89/75/951318975.db2.gz IHFWMKFFTRLZRF-ZCFIWIBFSA-N -1 1 384.878 1.911 20 0 GDADMM C[C@H](CNC(=O)c1ccsn1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575038251 951318982 /nfs/dbraw/zinc/31/89/82/951318982.db2.gz IHFWMKFFTRLZRF-ZCFIWIBFSA-N -1 1 384.878 1.911 20 0 GDADMM C[C@H]1[C@@H](NS(=O)(=O)N2CCC(C(=O)[O-])CC2)CCN1Cc1ccccc1 ZINC000389068297 951344449 /nfs/dbraw/zinc/34/44/49/951344449.db2.gz VPUQCUXGZQASKJ-YOEHRIQHSA-N -1 1 381.498 1.280 20 0 GDADMM C[C@@H](CNC(=O)c1cncc(F)c1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575046955 951449986 /nfs/dbraw/zinc/44/99/86/951449986.db2.gz VSBZDVMOTLLREI-LURJTMIESA-N -1 1 382.812 1.741 20 0 GDADMM C[C@@H](CNC(=O)c1csc(C2CC2)n1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575056317 951518902 /nfs/dbraw/zinc/51/89/02/951518902.db2.gz HHWRGRNSQCVZAO-VIFPVBQESA-N -1 1 385.457 1.245 20 0 GDADMM C[C@H](CNC(=O)c1csc(C2CC2)n1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575057020 951525691 /nfs/dbraw/zinc/52/56/91/951525691.db2.gz NWRVETCUUMBQBP-SECBINFHSA-N -1 1 385.457 1.245 20 0 GDADMM C[C@H](CNC(=O)c1csc(C2CC2)n1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575057020 951525697 /nfs/dbraw/zinc/52/56/97/951525697.db2.gz NWRVETCUUMBQBP-SECBINFHSA-N -1 1 385.457 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1cscc1Cl)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575061206 951556316 /nfs/dbraw/zinc/55/63/16/951556316.db2.gz LMZSIBGPNBVZNF-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@@H](CNC(=O)c1cscc1Cl)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575061206 951556324 /nfs/dbraw/zinc/55/63/24/951556324.db2.gz LMZSIBGPNBVZNF-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@@H](CNC(=O)c1csc(Cl)n1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575062073 951564072 /nfs/dbraw/zinc/56/40/72/951564072.db2.gz SHOJQDOUOAOJDS-ZETCQYMHSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@@H](CNC(=O)c1csc(Cl)n1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575062073 951564080 /nfs/dbraw/zinc/56/40/80/951564080.db2.gz SHOJQDOUOAOJDS-ZETCQYMHSA-N -1 1 379.837 1.021 20 0 GDADMM CC(C)Oc1cccnc1C(=O)NC[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575066016 951592753 /nfs/dbraw/zinc/59/27/53/951592753.db2.gz CZXPKYMBLNQCAI-NSHDSACASA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1cccnc1C(=O)NC[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575066016 951592762 /nfs/dbraw/zinc/59/27/62/951592762.db2.gz CZXPKYMBLNQCAI-NSHDSACASA-N -1 1 383.416 1.069 20 0 GDADMM C[C@@H](CNC(=O)c1ncccc1[O-])Nc1nc(Cl)c(-c2nn[nH]n2)s1 ZINC001575067430 951611938 /nfs/dbraw/zinc/61/19/38/951611938.db2.gz LXPBSFZMFVUGOH-LURJTMIESA-N -1 1 380.821 1.308 20 0 GDADMM C[C@@H](CNC(=O)c1sccc1C(F)F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575071209 951656577 /nfs/dbraw/zinc/65/65/77/951656577.db2.gz YHHPRZGMUKXFAW-ZETCQYMHSA-N -1 1 380.384 1.886 20 0 GDADMM C[C@@H](CNC(=O)c1sccc1C(F)F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575071209 951656584 /nfs/dbraw/zinc/65/65/84/951656584.db2.gz YHHPRZGMUKXFAW-ZETCQYMHSA-N -1 1 380.384 1.886 20 0 GDADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)c1ccc(Cl)[nH]1)C1CC1 ZINC001575127712 952058728 /nfs/dbraw/zinc/05/87/28/952058728.db2.gz CGTAFRZTDBLMEU-MRXNPFEDSA-N -1 1 387.835 1.649 20 0 GDADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)c1ccc(Cl)[nH]1)C1CC1 ZINC001575127712 952058737 /nfs/dbraw/zinc/05/87/37/952058737.db2.gz CGTAFRZTDBLMEU-MRXNPFEDSA-N -1 1 387.835 1.649 20 0 GDADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)[C@@H]1CC12CCCC2)C1CC1 ZINC001575128601 952068304 /nfs/dbraw/zinc/06/83/04/952068304.db2.gz JVXJAHPRGCDPHA-UGSOOPFHSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)[C@@H]1CC12CCCC2)C1CC1 ZINC001575128601 952068307 /nfs/dbraw/zinc/06/83/07/952068307.db2.gz JVXJAHPRGCDPHA-UGSOOPFHSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@]1(C)CCc2ccccc21 ZINC001575133011 952099484 /nfs/dbraw/zinc/09/94/84/952099484.db2.gz JIHDEXJZUNDOAG-RBZFPXEDSA-N -1 1 392.467 1.820 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@]1(C)CCc2ccccc21 ZINC001575133011 952099494 /nfs/dbraw/zinc/09/94/94/952099494.db2.gz JIHDEXJZUNDOAG-RBZFPXEDSA-N -1 1 392.467 1.820 20 0 GDADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)[C@H]1Cc2ccccc21)C1CC1 ZINC001575134498 952110897 /nfs/dbraw/zinc/11/08/97/952110897.db2.gz INZHLKIWEFVUCJ-YWZLYKJASA-N -1 1 390.451 1.115 20 0 GDADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)[C@H]1CCCC12CC2)C1CC1 ZINC001575134518 952112242 /nfs/dbraw/zinc/11/22/42/952112242.db2.gz IUFITPIFRPEFOZ-FZKQIMNGSA-N -1 1 382.472 1.356 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)CCOc1ccccc1 ZINC001575135814 952120946 /nfs/dbraw/zinc/12/09/46/952120946.db2.gz RXZMYAVLIAKZSU-ZDUSSCGKSA-N -1 1 382.428 1.385 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)CCOc1ccccc1 ZINC001575135814 952120954 /nfs/dbraw/zinc/12/09/54/952120954.db2.gz RXZMYAVLIAKZSU-ZDUSSCGKSA-N -1 1 382.428 1.385 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)C1(c2cccnc2)CC1 ZINC001575136796 952127716 /nfs/dbraw/zinc/12/77/16/952127716.db2.gz WXUKBTUOJVTOSB-LBPRGKRZSA-N -1 1 379.428 1.042 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)C1(c2cccnc2)CC1 ZINC001575136796 952127723 /nfs/dbraw/zinc/12/77/23/952127723.db2.gz WXUKBTUOJVTOSB-LBPRGKRZSA-N -1 1 379.428 1.042 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCCc2ccccc21 ZINC001575144662 952169226 /nfs/dbraw/zinc/16/92/26/952169226.db2.gz XDGAQRMDKNOOPV-CJNGLKHVSA-N -1 1 392.467 1.458 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCCC(F)(F)C1 ZINC001575144721 952171104 /nfs/dbraw/zinc/17/11/04/952171104.db2.gz XPCSYRLHHYEBPW-MNOVXSKESA-N -1 1 380.403 1.163 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)Cc1ccc(Cl)s1 ZINC001575144868 952173506 /nfs/dbraw/zinc/17/35/06/952173506.db2.gz YRFKZJDGONIUPF-SECBINFHSA-N -1 1 392.876 1.295 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cnc2ccccc2c1 ZINC001575144926 952174618 /nfs/dbraw/zinc/17/46/18/952174618.db2.gz NQRROTSCNUJXSI-LBPRGKRZSA-N -1 1 389.423 1.199 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)Oc1ccccc1Br ZINC001575145530 952185780 /nfs/dbraw/zinc/18/57/80/952185780.db2.gz ZJRKTAOTKIEOCF-VIFPVBQESA-N -1 1 376.218 1.721 20 0 GDADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)C1C=CC=CC=C1)C1CC1 ZINC001575146425 952194056 /nfs/dbraw/zinc/19/40/56/952194056.db2.gz KRZLKLKUBCQGPQ-LJQANCHMSA-N -1 1 378.440 1.652 20 0 GDADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)C1C=CC=CC=C1)C1CC1 ZINC001575146425 952194058 /nfs/dbraw/zinc/19/40/58/952194058.db2.gz KRZLKLKUBCQGPQ-LJQANCHMSA-N -1 1 378.440 1.652 20 0 GDADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)C1CCC(F)CC1)C1CC1 ZINC001575148120 952202282 /nfs/dbraw/zinc/20/22/82/952202282.db2.gz XNHYMDYKVLVPNQ-LJMKFJKQSA-N -1 1 388.451 1.882 20 0 GDADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)C1CCC(F)CC1)C1CC1 ZINC001575148120 952202286 /nfs/dbraw/zinc/20/22/86/952202286.db2.gz XNHYMDYKVLVPNQ-LJMKFJKQSA-N -1 1 388.451 1.882 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)C1(c2cccnc2)CC1 ZINC001575152963 952204861 /nfs/dbraw/zinc/20/48/61/952204861.db2.gz BLSQFEWZXKNSTL-GFCCVEGCSA-N -1 1 379.428 1.042 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)C1(c2cccnc2)CC1 ZINC001575152963 952204864 /nfs/dbraw/zinc/20/48/64/952204864.db2.gz BLSQFEWZXKNSTL-GFCCVEGCSA-N -1 1 379.428 1.042 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001575153786 952214118 /nfs/dbraw/zinc/21/41/18/952214118.db2.gz KVDAPCHOZUEFFH-YUELXQCFSA-N -1 1 378.440 1.719 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001575153786 952214127 /nfs/dbraw/zinc/21/41/27/952214127.db2.gz KVDAPCHOZUEFFH-YUELXQCFSA-N -1 1 378.440 1.719 20 0 GDADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)c1cccc(F)c1)C1CC1 ZINC001575154561 952225119 /nfs/dbraw/zinc/22/51/19/952225119.db2.gz SNFYQPKWBCLQAW-GOSISDBHSA-N -1 1 382.403 1.806 20 0 GDADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)c1cccc(F)c1)C1CC1 ZINC001575154561 952225126 /nfs/dbraw/zinc/22/51/26/952225126.db2.gz SNFYQPKWBCLQAW-GOSISDBHSA-N -1 1 382.403 1.806 20 0 GDADMM C[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575154707 952229703 /nfs/dbraw/zinc/22/97/03/952229703.db2.gz UZNNUHKBIKYHIK-KBPBESRZSA-N -1 1 380.456 1.794 20 0 GDADMM C[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575154707 952229708 /nfs/dbraw/zinc/22/97/08/952229708.db2.gz UZNNUHKBIKYHIK-KBPBESRZSA-N -1 1 380.456 1.794 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cc(Cl)cn1C ZINC001575155372 952238303 /nfs/dbraw/zinc/23/83/03/952238303.db2.gz LOJIUTYHMICJBE-VIFPVBQESA-N -1 1 375.824 1.221 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cc(Cl)cn1C ZINC001575155372 952238308 /nfs/dbraw/zinc/23/83/08/952238308.db2.gz LOJIUTYHMICJBE-VIFPVBQESA-N -1 1 375.824 1.221 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1ccc(C(F)F)nc1 ZINC001575156473 952253496 /nfs/dbraw/zinc/25/34/96/952253496.db2.gz FWRCCIBTZCSMIS-SECBINFHSA-N -1 1 389.370 1.562 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc(C(F)F)nc1 ZINC001575156473 952253501 /nfs/dbraw/zinc/25/35/01/952253501.db2.gz FWRCCIBTZCSMIS-SECBINFHSA-N -1 1 389.370 1.562 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1ncoc1C(C)(C)C ZINC001575156607 952255419 /nfs/dbraw/zinc/25/54/19/952255419.db2.gz GNZIDUXXZNNPPD-JTQLQIEISA-N -1 1 385.432 1.515 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1ncoc1C(C)(C)C ZINC001575156607 952255429 /nfs/dbraw/zinc/25/54/29/952255429.db2.gz GNZIDUXXZNNPPD-JTQLQIEISA-N -1 1 385.432 1.515 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)c1cnn(C)c1 ZINC001575163947 952283918 /nfs/dbraw/zinc/28/39/18/952283918.db2.gz AJOPWOOJRNHERV-SSDOTTSWSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)c1cnn(C)c1 ZINC001575163947 952283926 /nfs/dbraw/zinc/28/39/26/952283926.db2.gz AJOPWOOJRNHERV-SSDOTTSWSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)c1cn(C)cn1 ZINC001575164215 952288025 /nfs/dbraw/zinc/28/80/25/952288025.db2.gz CAZLNARPBDXEKR-SSDOTTSWSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)[C@@H]1CC1(F)F ZINC001575164523 952294894 /nfs/dbraw/zinc/29/48/94/952294894.db2.gz FBYWLMXKBARMFV-RITPCOANSA-N -1 1 377.808 1.891 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)[C@@H]1CC1(F)F ZINC001575164523 952294899 /nfs/dbraw/zinc/29/48/99/952294899.db2.gz FBYWLMXKBARMFV-RITPCOANSA-N -1 1 377.808 1.891 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)[C@@H]1CCCCO1 ZINC001575164637 952295460 /nfs/dbraw/zinc/29/54/60/952295460.db2.gz GOHHSOOBZOLCHY-BDAKNGLRSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)[C@@H]1CCCCO1 ZINC001575164637 952295466 /nfs/dbraw/zinc/29/54/66/952295466.db2.gz GOHHSOOBZOLCHY-BDAKNGLRSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)c1cnsn1 ZINC001575166501 952326005 /nfs/dbraw/zinc/32/60/05/952326005.db2.gz WVUZYTNMSQNKSH-YFKPBYRVSA-N -1 1 385.866 1.401 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001575177477 952400875 /nfs/dbraw/zinc/40/08/75/952400875.db2.gz HRRZHOMKOZSWLL-VHDGCEQUSA-N -1 1 378.440 1.719 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001575177477 952400879 /nfs/dbraw/zinc/40/08/79/952400879.db2.gz HRRZHOMKOZSWLL-VHDGCEQUSA-N -1 1 378.440 1.719 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1[nH]cnc1C(C)(C)C ZINC001575178132 952404926 /nfs/dbraw/zinc/40/49/26/952404926.db2.gz KPDOYMIKNUYPDD-SNVBAGLBSA-N -1 1 384.448 1.250 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1[nH]cnc1C(C)(C)C ZINC001575178132 952404933 /nfs/dbraw/zinc/40/49/33/952404933.db2.gz KPDOYMIKNUYPDD-SNVBAGLBSA-N -1 1 384.448 1.250 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)Cc1ccccc1Cl ZINC001575180206 952415960 /nfs/dbraw/zinc/41/59/60/952415960.db2.gz TZPBBRKHLHRQCB-NSHDSACASA-N -1 1 386.847 1.812 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)Cc1ccccc1Cl ZINC001575180206 952415965 /nfs/dbraw/zinc/41/59/65/952415965.db2.gz TZPBBRKHLHRQCB-NSHDSACASA-N -1 1 386.847 1.812 20 0 GDADMM C[C@H](Cc1ccc(F)cc1)C(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001575188640 952450199 /nfs/dbraw/zinc/45/01/99/952450199.db2.gz KOQUTEXZDKBWPG-GFCCVEGCSA-N -1 1 384.419 1.545 20 0 GDADMM C[C@H](Cc1ccc(F)cc1)C(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001575188640 952450202 /nfs/dbraw/zinc/45/02/02/952450202.db2.gz KOQUTEXZDKBWPG-GFCCVEGCSA-N -1 1 384.419 1.545 20 0 GDADMM CC(=O)N1CC[C@H](C(F)(F)F)[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571114335 952453355 /nfs/dbraw/zinc/45/33/55/952453355.db2.gz GXVMNZPJQVKMHI-DTWKUNHWSA-N -1 1 375.380 1.843 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@@]1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575195863 952472830 /nfs/dbraw/zinc/47/28/30/952472830.db2.gz CGKKJDFQUDIVJQ-SGTLLEGYSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001575196165 952474032 /nfs/dbraw/zinc/47/40/32/952474032.db2.gz DXIBIRUWDCUESX-KCQAQPDRSA-N -1 1 394.439 1.166 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001575196227 952475271 /nfs/dbraw/zinc/47/52/71/952475271.db2.gz FXAHVKUFLLRKGY-OUCADQQQSA-N -1 1 382.428 1.069 20 0 GDADMM Cc1nsc(N[C@@H]2CCC[C@@H](NC(=O)c3cnon3)C2)c1-c1nn[n-]n1 ZINC001571117706 952483175 /nfs/dbraw/zinc/48/31/75/952483175.db2.gz ONAYRZYYOXOPJO-RKDXNWHRSA-N -1 1 375.418 1.168 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575197431 952484439 /nfs/dbraw/zinc/48/44/39/952484439.db2.gz VTCVKGGDXRRVOU-CHWSQXEVSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575197431 952484443 /nfs/dbraw/zinc/48/44/43/952484443.db2.gz VTCVKGGDXRRVOU-CHWSQXEVSA-N -1 1 382.428 1.531 20 0 GDADMM CCO[C@@]1(C)C[C@H]1NC(=O)C1CCN(c2oc(C)nc2-c2nn[n-]n2)CC1 ZINC001571117789 952484852 /nfs/dbraw/zinc/48/48/52/952484852.db2.gz QQEZBEMJJPDAKA-PXAZEXFGSA-N -1 1 375.433 1.063 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575197451 952485086 /nfs/dbraw/zinc/48/50/86/952485086.db2.gz WGSCKMMLDOSXME-QWHCGFSZSA-N -1 1 382.428 1.071 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575197451 952485089 /nfs/dbraw/zinc/48/50/89/952485089.db2.gz WGSCKMMLDOSXME-QWHCGFSZSA-N -1 1 382.428 1.071 20 0 GDADMM O=C(NC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1)[C@@H]1Cc2ccccc21 ZINC001571119570 952492793 /nfs/dbraw/zinc/49/27/93/952492793.db2.gz CRAJLNSUZNLDOU-UKRRQHHQSA-N -1 1 376.424 1.082 20 0 GDADMM O=C(NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1)[C@@H]1Cc2ccccc21 ZINC001571119570 952492797 /nfs/dbraw/zinc/49/27/97/952492797.db2.gz CRAJLNSUZNLDOU-UKRRQHHQSA-N -1 1 376.424 1.082 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571120764 952508414 /nfs/dbraw/zinc/50/84/14/952508414.db2.gz QTMIQYNATFRATA-AWEZNQCLSA-N -1 1 376.424 1.296 20 0 GDADMM CN(C[C@@H](O)c1cccc(Br)c1)c1cncc(-c2nnn[n-]2)n1 ZINC001571121157 952515928 /nfs/dbraw/zinc/51/59/28/952515928.db2.gz XJVWFEDOWWCXON-GFCCVEGCSA-N -1 1 376.218 1.589 20 0 GDADMM CN(C[C@@H](O)c1cccc(Br)c1)c1cncc(-c2nn[n-]n2)n1 ZINC001571121157 952515934 /nfs/dbraw/zinc/51/59/34/952515934.db2.gz XJVWFEDOWWCXON-GFCCVEGCSA-N -1 1 376.218 1.589 20 0 GDADMM Cn1c(=O)[nH]c(NCCc2nc(C(C)(C)C)cs2)c(-c2nn[n-]n2)c1=O ZINC001571121633 952520974 /nfs/dbraw/zinc/52/09/74/952520974.db2.gz AXLIEPHVWFCYEP-UHFFFAOYSA-N -1 1 376.446 1.075 20 0 GDADMM CCc1nc(NC[C@H]2CCC[C@@H]2NC(=O)C(C)(C)F)cc(-c2nnn[n-]2)n1 ZINC001571121947 952523482 /nfs/dbraw/zinc/52/34/82/952523482.db2.gz GBXMWUULTBXXNL-MNOVXSKESA-N -1 1 376.440 1.664 20 0 GDADMM CCc1nc(NC[C@H]2CCC[C@@H]2NC(=O)C(C)(C)F)cc(-c2nn[n-]n2)n1 ZINC001571121947 952523487 /nfs/dbraw/zinc/52/34/87/952523487.db2.gz GBXMWUULTBXXNL-MNOVXSKESA-N -1 1 376.440 1.664 20 0 GDADMM O=C(CC[C@@H]1CCOC1)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001571121975 952524035 /nfs/dbraw/zinc/52/40/35/952524035.db2.gz GTBGZUQOWDQCJZ-CYBMUJFWSA-N -1 1 376.486 1.389 20 0 GDADMM NC(=O)C[C@@H](NC(=O)c1ccsc1-c1nnn[n-]1)c1ccccc1Cl ZINC001571122355 952524663 /nfs/dbraw/zinc/52/46/63/952524663.db2.gz IXFOLRMXFBIGSB-LLVKDONJSA-N -1 1 376.829 1.928 20 0 GDADMM NC(=O)C[C@@H](NC(=O)c1ccsc1-c1nn[n-]n1)c1ccccc1Cl ZINC001571122355 952524664 /nfs/dbraw/zinc/52/46/64/952524664.db2.gz IXFOLRMXFBIGSB-LLVKDONJSA-N -1 1 376.829 1.928 20 0 GDADMM CCc1nc(NC[C@@H]2CCCCN2C(=O)[C@H](F)CC)cc(-c2nnn[n-]2)n1 ZINC001571123082 952527339 /nfs/dbraw/zinc/52/73/39/952527339.db2.gz NWQKDRRSXORPIY-NWDGAFQWSA-N -1 1 376.440 1.760 20 0 GDADMM CCc1nc(NC[C@@H]2CCCCN2C(=O)[C@H](F)CC)cc(-c2nn[n-]n2)n1 ZINC001571123082 952527342 /nfs/dbraw/zinc/52/73/42/952527342.db2.gz NWQKDRRSXORPIY-NWDGAFQWSA-N -1 1 376.440 1.760 20 0 GDADMM Cc1nsc(NC[C@@H]2CCCN2C(=O)c2ccns2)c1-c1nn[n-]n1 ZINC001571123720 952531674 /nfs/dbraw/zinc/53/16/74/952531674.db2.gz UYQPBZXWHHYWGZ-VIFPVBQESA-N -1 1 376.471 1.805 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1 ZINC001575214132 952562480 /nfs/dbraw/zinc/56/24/80/952562480.db2.gz ISROSMLSDVFLGH-VWYCJHECSA-N -1 1 392.414 1.564 20 0 GDADMM Cc1nsc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CCO[C@@H](C)C3)C2)c1-c1nn[n-]n1 ZINC001571128413 952567474 /nfs/dbraw/zinc/56/74/74/952567474.db2.gz SYFYTYKLGBCUIN-ZDDJMSTPSA-N -1 1 377.474 1.506 20 0 GDADMM CCO[C@@H]1C[C@H]1C(=O)N1CCC(Nc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001571128828 952570823 /nfs/dbraw/zinc/57/08/23/952570823.db2.gz XTZLDHFNZKWCLG-VXGBXAGGSA-N -1 1 377.474 1.460 20 0 GDADMM Cn1cc(CNC(=O)Nc2ccc(Br)c(-c3nnn[n-]3)n2)cn1 ZINC001571129707 952576313 /nfs/dbraw/zinc/57/63/13/952576313.db2.gz ICKWWOBZJLQXAB-UHFFFAOYSA-N -1 1 378.194 1.079 20 0 GDADMM Cn1cc(CNC(=O)Nc2ccc(Br)c(-c3nn[n-]n3)n2)cn1 ZINC001571129707 952576315 /nfs/dbraw/zinc/57/63/15/952576315.db2.gz ICKWWOBZJLQXAB-UHFFFAOYSA-N -1 1 378.194 1.079 20 0 GDADMM CCC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)[C@@H]2CC2(F)F)CC1 ZINC001571130130 952578605 /nfs/dbraw/zinc/57/86/05/952578605.db2.gz OQNHPKXVRKQPFV-JTQLQIEISA-N -1 1 378.387 1.495 20 0 GDADMM CCC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)[C@@H]2CC2(F)F)CC1 ZINC001571130130 952578609 /nfs/dbraw/zinc/57/86/09/952578609.db2.gz OQNHPKXVRKQPFV-JTQLQIEISA-N -1 1 378.387 1.495 20 0 GDADMM O=C([C@@H]1CC1(F)F)N1CCC(CCNc2nccnc2-c2nnn[n-]2)CC1 ZINC001571130051 952578687 /nfs/dbraw/zinc/57/86/87/952578687.db2.gz OEUQLVLSWDZSOM-NSHDSACASA-N -1 1 378.387 1.353 20 0 GDADMM O=C([C@@H]1CC1(F)F)N1CCC(CCNc2nccnc2-c2nn[n-]n2)CC1 ZINC001571130051 952578693 /nfs/dbraw/zinc/57/86/93/952578693.db2.gz OEUQLVLSWDZSOM-NSHDSACASA-N -1 1 378.387 1.353 20 0 GDADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC001571130150 952578934 /nfs/dbraw/zinc/57/89/34/952578934.db2.gz OUKKZKHVOTUWTF-ZIAGYGMSSA-N -1 1 378.392 1.453 20 0 GDADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC001571130150 952578935 /nfs/dbraw/zinc/57/89/35/952578935.db2.gz OUKKZKHVOTUWTF-ZIAGYGMSSA-N -1 1 378.392 1.453 20 0 GDADMM O=C([C@@H]1CCC1(F)F)N1CCCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571130523 952580865 /nfs/dbraw/zinc/58/08/65/952580865.db2.gz SFSCBCPWUAZYRV-MNOVXSKESA-N -1 1 378.387 1.495 20 0 GDADMM O=C([C@@H]1CCC1(F)F)N1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571130523 952580867 /nfs/dbraw/zinc/58/08/67/952580867.db2.gz SFSCBCPWUAZYRV-MNOVXSKESA-N -1 1 378.387 1.495 20 0 GDADMM O=C([C@H]1CCC(F)(F)C1)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571130854 952582379 /nfs/dbraw/zinc/58/23/79/952582379.db2.gz XGYCCIJLUMRNLE-WDEREUQCSA-N -1 1 378.387 1.495 20 0 GDADMM O=C([C@H]1CCC(F)(F)C1)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571130854 952582388 /nfs/dbraw/zinc/58/23/88/952582388.db2.gz XGYCCIJLUMRNLE-WDEREUQCSA-N -1 1 378.387 1.495 20 0 GDADMM CCc1ccccc1CC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571134134 952586472 /nfs/dbraw/zinc/58/64/72/952586472.db2.gz ANSMDPBAFFDCIN-HNNXBMFYSA-N -1 1 378.440 1.157 20 0 GDADMM CCc1ccccc1CC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571134134 952586478 /nfs/dbraw/zinc/58/64/78/952586478.db2.gz ANSMDPBAFFDCIN-HNNXBMFYSA-N -1 1 378.440 1.157 20 0 GDADMM CCc1ccc(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001571134241 952587029 /nfs/dbraw/zinc/58/70/29/952587029.db2.gz CYZUDGBQNGIAPS-OAHLLOKOSA-N -1 1 378.440 1.936 20 0 GDADMM CCc1ccc(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001571134241 952587032 /nfs/dbraw/zinc/58/70/32/952587032.db2.gz CYZUDGBQNGIAPS-OAHLLOKOSA-N -1 1 378.440 1.936 20 0 GDADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@@H]1CCN(C(=O)C2C=CC=CC=C2)C1 ZINC001571134232 952587707 /nfs/dbraw/zinc/58/77/07/952587707.db2.gz COILLKGSXCXSJB-UKRRQHHQSA-N -1 1 378.440 1.604 20 0 GDADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)C2C=CC=CC=C2)C1 ZINC001571134232 952587711 /nfs/dbraw/zinc/58/77/11/952587711.db2.gz COILLKGSXCXSJB-UKRRQHHQSA-N -1 1 378.440 1.604 20 0 GDADMM Cc1cc(C)cc(C(=O)N2C[C@@H](C)[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571134796 952594929 /nfs/dbraw/zinc/59/49/29/952594929.db2.gz LPGAACWTLSTOTO-CJNGLKHVSA-N -1 1 378.440 1.846 20 0 GDADMM Cc1cc(C)cc(C(=O)N2C[C@@H](C)[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571134796 952594935 /nfs/dbraw/zinc/59/49/35/952594935.db2.gz LPGAACWTLSTOTO-CJNGLKHVSA-N -1 1 378.440 1.846 20 0 GDADMM Cc1ccc(CC(=O)N2CCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001571134919 952597312 /nfs/dbraw/zinc/59/73/12/952597312.db2.gz OUFRESNOYAIKPQ-OAHLLOKOSA-N -1 1 378.440 1.611 20 0 GDADMM Cc1ccc(CC(=O)N2CCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001571134919 952597315 /nfs/dbraw/zinc/59/73/15/952597315.db2.gz OUFRESNOYAIKPQ-OAHLLOKOSA-N -1 1 378.440 1.611 20 0 GDADMM CC[C@@H]1CN(C(=O)c2ccccc2)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571134955 952597436 /nfs/dbraw/zinc/59/74/36/952597436.db2.gz NXXMHJBSYLDXKI-UKRRQHHQSA-N -1 1 378.440 1.431 20 0 GDADMM CCc1ccc(C(=O)N[C@@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)cc1 ZINC001571134999 952598683 /nfs/dbraw/zinc/59/86/83/952598683.db2.gz OMOBPDWZSLNWFI-OAHLLOKOSA-N -1 1 378.440 1.536 20 0 GDADMM CCc1ccc(C(=O)N[C@@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571134999 952598687 /nfs/dbraw/zinc/59/86/87/952598687.db2.gz OMOBPDWZSLNWFI-OAHLLOKOSA-N -1 1 378.440 1.536 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)c2ccccc2C)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571135183 952600651 /nfs/dbraw/zinc/60/06/51/952600651.db2.gz QTYNPDFRDYUZGU-GOEBONIOSA-N -1 1 378.440 1.752 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)c2ccccc2C)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571135183 952600655 /nfs/dbraw/zinc/60/06/55/952600655.db2.gz QTYNPDFRDYUZGU-GOEBONIOSA-N -1 1 378.440 1.752 20 0 GDADMM CCCc1ccc(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001571135394 952604036 /nfs/dbraw/zinc/60/40/36/952604036.db2.gz VDOUXVYJLRURPM-OAHLLOKOSA-N -1 1 378.440 1.618 20 0 GDADMM CCCc1ccc(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571135394 952604041 /nfs/dbraw/zinc/60/40/41/952604041.db2.gz VDOUXVYJLRURPM-OAHLLOKOSA-N -1 1 378.440 1.618 20 0 GDADMM O=C(NC[C@@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1)c1cc[nH]c1 ZINC001571142269 952639925 /nfs/dbraw/zinc/63/99/25/952639925.db2.gz NVOYPQHVRNFMOF-QMMMGPOBSA-N -1 1 378.849 1.561 20 0 GDADMM O=C(NC[C@@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1)c1cc[nH]c1 ZINC001571142269 952639927 /nfs/dbraw/zinc/63/99/27/952639927.db2.gz NVOYPQHVRNFMOF-QMMMGPOBSA-N -1 1 378.849 1.561 20 0 GDADMM O=C(NC1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1)C1C=CC=CC=C1 ZINC001571142696 952644849 /nfs/dbraw/zinc/64/48/49/952644849.db2.gz VTPJLBJADWNQLI-UHFFFAOYSA-N -1 1 378.440 1.794 20 0 GDADMM O=C(NC1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1)C1C=CC=CC=C1 ZINC001571142696 952644850 /nfs/dbraw/zinc/64/48/50/952644850.db2.gz VTPJLBJADWNQLI-UHFFFAOYSA-N -1 1 378.440 1.794 20 0 GDADMM O=C(NCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C1C=CC=CC=C1 ZINC001571142788 952646376 /nfs/dbraw/zinc/64/63/76/952646376.db2.gz YPULCOVBICAMOF-UHFFFAOYSA-N -1 1 378.440 1.288 20 0 GDADMM O=C(NCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C1C=CC=CC=C1 ZINC001571142788 952646377 /nfs/dbraw/zinc/64/63/77/952646377.db2.gz YPULCOVBICAMOF-UHFFFAOYSA-N -1 1 378.440 1.288 20 0 GDADMM Cc1c[nH]cc1C(=O)N[C@]12CCC[C@@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001571146711 952652392 /nfs/dbraw/zinc/65/23/92/952652392.db2.gz AUUMALGXRHGDSU-UGSOOPFHSA-N -1 1 379.428 1.225 20 0 GDADMM CCc1nc(N[C@@H]2CCCN(C(=O)c3ccncc3)C2)cc(-c2nnn[n-]2)n1 ZINC001571146784 952653307 /nfs/dbraw/zinc/65/33/07/952653307.db2.gz CEFDZUIYAYDAQZ-CYBMUJFWSA-N -1 1 379.428 1.331 20 0 GDADMM CCc1nc(N[C@@H]2CCCN(C(=O)c3ccncc3)C2)cc(-c2nn[n-]n2)n1 ZINC001571146784 952653309 /nfs/dbraw/zinc/65/33/09/952653309.db2.gz CEFDZUIYAYDAQZ-CYBMUJFWSA-N -1 1 379.428 1.331 20 0 GDADMM O=C(CCc1ccncc1)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571146836 952653316 /nfs/dbraw/zinc/65/33/16/952653316.db2.gz NPORPDHBLPLAFJ-AWEZNQCLSA-N -1 1 379.428 1.087 20 0 GDADMM O=C(CCc1ccncc1)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571146836 952653320 /nfs/dbraw/zinc/65/33/20/952653320.db2.gz NPORPDHBLPLAFJ-AWEZNQCLSA-N -1 1 379.428 1.087 20 0 GDADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC001571147134 952657267 /nfs/dbraw/zinc/65/72/67/952657267.db2.gz GXJRRPCLZFXEHU-TZMCWYRMSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC001571147134 952657272 /nfs/dbraw/zinc/65/72/72/952657272.db2.gz GXJRRPCLZFXEHU-TZMCWYRMSA-N -1 1 379.428 1.405 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CCC[C@H]2[C@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001571147158 952657980 /nfs/dbraw/zinc/65/79/80/952657980.db2.gz HUNOLIYGRYQRRF-UONOGXRCSA-N -1 1 379.428 1.177 20 0 GDADMM Cn1ccc(C(=O)N2CC[C@@H](Nc3snc(Cl)c3-c3nnn[n-]3)C2)n1 ZINC001571153662 952687087 /nfs/dbraw/zinc/68/70/87/952687087.db2.gz SYRUULALODXZIT-SSDOTTSWSA-N -1 1 379.837 1.037 20 0 GDADMM Cn1ccc(C(=O)N2CC[C@@H](Nc3snc(Cl)c3-c3nn[n-]n3)C2)n1 ZINC001571153662 952687089 /nfs/dbraw/zinc/68/70/89/952687089.db2.gz SYRUULALODXZIT-SSDOTTSWSA-N -1 1 379.837 1.037 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3snc(Cl)c3-c3nnn[n-]3)C[C@H]21 ZINC001571153625 952687555 /nfs/dbraw/zinc/68/75/55/952687555.db2.gz SCLIWFHEEMJSQL-JIOCBJNQSA-N -1 1 379.877 1.574 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3snc(Cl)c3-c3nn[n-]n3)C[C@H]21 ZINC001571153625 952687559 /nfs/dbraw/zinc/68/75/59/952687559.db2.gz SCLIWFHEEMJSQL-JIOCBJNQSA-N -1 1 379.877 1.574 20 0 GDADMM O=C(N[C@@H]1CCCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1)c1ccoc1 ZINC001571154191 952689710 /nfs/dbraw/zinc/68/97/10/952689710.db2.gz ZJOWSYFOWFJAQP-SECBINFHSA-N -1 1 379.833 1.968 20 0 GDADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCO[C@](C)(c2ccccc2)C1 ZINC001571154837 952690869 /nfs/dbraw/zinc/69/08/69/952690869.db2.gz CDGABWKTBZKLIJ-IBGZPJMESA-N -1 1 380.408 1.664 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C(F)F)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571155052 952691497 /nfs/dbraw/zinc/69/14/97/952691497.db2.gz FQIRQANQGHRRMC-ZJUUUORDSA-N -1 1 380.403 1.454 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C(F)F)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571155052 952691501 /nfs/dbraw/zinc/69/15/01/952691501.db2.gz FQIRQANQGHRRMC-ZJUUUORDSA-N -1 1 380.403 1.454 20 0 GDADMM CCc1occc1C(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001571155058 952691645 /nfs/dbraw/zinc/69/16/45/952691645.db2.gz FXKPDFGJRAKZGX-TXEJJXNPSA-N -1 1 380.412 1.021 20 0 GDADMM CCc1occc1C(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001571155058 952691652 /nfs/dbraw/zinc/69/16/52/952691652.db2.gz FXKPDFGJRAKZGX-TXEJJXNPSA-N -1 1 380.412 1.021 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1)C(C)(F)F ZINC001571155284 952694527 /nfs/dbraw/zinc/69/45/27/952694527.db2.gz MXSNKBXQFKXEMA-MNOVXSKESA-N -1 1 380.403 1.375 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1)C(C)(F)F ZINC001571155284 952694530 /nfs/dbraw/zinc/69/45/30/952694530.db2.gz MXSNKBXQFKXEMA-MNOVXSKESA-N -1 1 380.403 1.375 20 0 GDADMM Cc1ccc(F)c(C(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nnn[n-]3)n2)c1 ZINC001571155378 952695658 /nfs/dbraw/zinc/69/56/58/952695658.db2.gz PXEJIFOVDIUUOD-RYUDHWBXSA-N -1 1 380.387 1.208 20 0 GDADMM Cc1ccc(F)c(C(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nn[n-]n3)n2)c1 ZINC001571155378 952695659 /nfs/dbraw/zinc/69/56/59/952695659.db2.gz PXEJIFOVDIUUOD-RYUDHWBXSA-N -1 1 380.387 1.208 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C(C)(F)F ZINC001571155386 952696075 /nfs/dbraw/zinc/69/60/75/952696075.db2.gz QAVCIZIHQLHKOB-WDEREUQCSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C(C)(F)F ZINC001571155386 952696077 /nfs/dbraw/zinc/69/60/77/952696077.db2.gz QAVCIZIHQLHKOB-WDEREUQCSA-N -1 1 380.403 1.599 20 0 GDADMM Cc1cc(C(=O)N(C)C2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)ccn1 ZINC001571156826 952705496 /nfs/dbraw/zinc/70/54/96/952705496.db2.gz KSLBHUGXCWMPOR-UHFFFAOYSA-N -1 1 379.428 1.101 20 0 GDADMM Cc1cc(C(=O)N(C)C2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)ccn1 ZINC001571156826 952705499 /nfs/dbraw/zinc/70/54/99/952705499.db2.gz KSLBHUGXCWMPOR-UHFFFAOYSA-N -1 1 379.428 1.101 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@H](CNC(=O)c3ncccc3C)C2)n1 ZINC001571157193 952707142 /nfs/dbraw/zinc/70/71/42/952707142.db2.gz NJDSDOORYHPJDS-JOCQHMNTSA-N -1 1 379.428 1.289 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@H](CNC(=O)c3ncccc3C)C2)n1 ZINC001571157193 952707147 /nfs/dbraw/zinc/70/71/47/952707147.db2.gz NJDSDOORYHPJDS-JOCQHMNTSA-N -1 1 379.428 1.289 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)[C@H]2C)n1 ZINC001571157219 952707322 /nfs/dbraw/zinc/70/73/22/952707322.db2.gz NMWMNTRPZDZTRV-OLZOCXBDSA-N -1 1 379.428 1.384 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)[C@H]2C)n1 ZINC001571157219 952707325 /nfs/dbraw/zinc/70/73/25/952707325.db2.gz NMWMNTRPZDZTRV-OLZOCXBDSA-N -1 1 379.428 1.384 20 0 GDADMM Cc1cnc(C(=O)N[C@]2(C)CCN(c3nccnc3-c3nnn[n-]3)C2)cc1C ZINC001571157973 952708951 /nfs/dbraw/zinc/70/89/51/952708951.db2.gz PCJIIRDOIKXDHJ-GOSISDBHSA-N -1 1 379.428 1.067 20 0 GDADMM Cc1cnc(C(=O)N[C@]2(C)CCN(c3nccnc3-c3nn[n-]n3)C2)cc1C ZINC001571157973 952708954 /nfs/dbraw/zinc/70/89/54/952708954.db2.gz PCJIIRDOIKXDHJ-GOSISDBHSA-N -1 1 379.428 1.067 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCCN(C(=O)c3cnccc3C)C2)n1 ZINC001571158138 952710103 /nfs/dbraw/zinc/71/01/03/952710103.db2.gz RZHRREOFOXSVAD-ZDUSSCGKSA-N -1 1 379.428 1.385 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCCN(C(=O)c3cnccc3C)C2)n1 ZINC001571158138 952710106 /nfs/dbraw/zinc/71/01/06/952710106.db2.gz RZHRREOFOXSVAD-ZDUSSCGKSA-N -1 1 379.428 1.385 20 0 GDADMM Cc1cc(C)c(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cncc(-c3nnn[n-]3)n2)o1 ZINC001571158715 952713720 /nfs/dbraw/zinc/71/37/20/952713720.db2.gz NGKWMGFJUAMPDC-BETUJISGSA-N -1 1 380.412 1.360 20 0 GDADMM Cc1cc(C)c(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cncc(-c3nn[n-]n3)n2)o1 ZINC001571158715 952713727 /nfs/dbraw/zinc/71/37/27/952713727.db2.gz NGKWMGFJUAMPDC-BETUJISGSA-N -1 1 380.412 1.360 20 0 GDADMM COc1ccc(C(=O)N(C)[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001571159710 952721673 /nfs/dbraw/zinc/72/16/73/952721673.db2.gz ZFIUBRAHRFAYLY-ZDUSSCGKSA-N -1 1 380.412 1.016 20 0 GDADMM COc1ccc(C(=O)N(C)[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571159710 952721677 /nfs/dbraw/zinc/72/16/77/952721677.db2.gz ZFIUBRAHRFAYLY-ZDUSSCGKSA-N -1 1 380.412 1.016 20 0 GDADMM O=C(c1ccco1)N1CC[C@]2(C1)CCCN(c1nccnc1-c1nnn[n-]1)C2 ZINC001571160207 952723964 /nfs/dbraw/zinc/72/39/64/952723964.db2.gz DUJAAZPWASTUAH-GOSISDBHSA-N -1 1 380.412 1.382 20 0 GDADMM O=C(c1ccco1)N1CC[C@]2(C1)CCCN(c1nccnc1-c1nn[n-]n1)C2 ZINC001571160207 952723966 /nfs/dbraw/zinc/72/39/66/952723966.db2.gz DUJAAZPWASTUAH-GOSISDBHSA-N -1 1 380.412 1.382 20 0 GDADMM Cc1ccoc1C(=O)N1CCC[C@H]2[C@@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001571161651 952733839 /nfs/dbraw/zinc/73/38/39/952733839.db2.gz ZVPBIUUWOSOLFA-KBPBESRZSA-N -1 1 380.412 1.442 20 0 GDADMM Cc1ccoc1C(=O)N1CCC[C@H]2[C@@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001571161651 952733841 /nfs/dbraw/zinc/73/38/41/952733841.db2.gz ZVPBIUUWOSOLFA-KBPBESRZSA-N -1 1 380.412 1.442 20 0 GDADMM O=C(Cc1ccco1)N[C@@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571161626 952733928 /nfs/dbraw/zinc/73/39/28/952733928.db2.gz YZANPOCBAHBRHM-RDTXWAMCSA-N -1 1 380.412 1.110 20 0 GDADMM O=C(Cc1ccco1)N[C@@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001571161626 952733931 /nfs/dbraw/zinc/73/39/31/952733931.db2.gz YZANPOCBAHBRHM-RDTXWAMCSA-N -1 1 380.412 1.110 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3CN(C(=O)C4CC5(CC5)C4)C[C@@H]3C2)n1 ZINC001571169714 952777456 /nfs/dbraw/zinc/77/74/56/952777456.db2.gz LAJISQMULCYSJU-OKILXGFUSA-N -1 1 380.456 1.050 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3CN(C(=O)C4CC5(CC5)C4)C[C@@H]3C2)n1 ZINC001571169714 952777465 /nfs/dbraw/zinc/77/74/65/952777465.db2.gz LAJISQMULCYSJU-OKILXGFUSA-N -1 1 380.456 1.050 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCCC23CC3)n1 ZINC001571169787 952777983 /nfs/dbraw/zinc/77/79/83/952777983.db2.gz NHPPBAVLSNNHKK-SFDCQRBFSA-N -1 1 380.456 1.096 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCCC23CC3)n1 ZINC001571169787 952777987 /nfs/dbraw/zinc/77/79/87/952777987.db2.gz NHPPBAVLSNNHKK-SFDCQRBFSA-N -1 1 380.456 1.096 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ocnc1C1CC1 ZINC001571169958 952780685 /nfs/dbraw/zinc/78/06/85/952780685.db2.gz AKYDEZBWUXOFIN-MWLCHTKSSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ocnc1C1CC1 ZINC001571169958 952780688 /nfs/dbraw/zinc/78/06/88/952780688.db2.gz AKYDEZBWUXOFIN-MWLCHTKSSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H]1CN(C(=O)c2conc2C2CC2)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571169995 952782138 /nfs/dbraw/zinc/78/21/38/952782138.db2.gz BXCIREXRHPQIAN-SKDRFNHKSA-N -1 1 381.400 1.095 20 0 GDADMM C[C@@H]1CN(C(=O)c2conc2C2CC2)C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571169995 952782140 /nfs/dbraw/zinc/78/21/40/952782140.db2.gz BXCIREXRHPQIAN-SKDRFNHKSA-N -1 1 381.400 1.095 20 0 GDADMM COC(=O)CCc1ccccc1C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001571170822 952789981 /nfs/dbraw/zinc/78/99/81/952789981.db2.gz LUUKMPSGVLAQSZ-UHFFFAOYSA-N -1 1 381.396 1.825 20 0 GDADMM O=C(N[C@@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2)[C@H]1C[C@H]2C[C@H]2C1 ZINC001571172271 952803649 /nfs/dbraw/zinc/80/36/49/952803649.db2.gz RLSFYUDUFSJKLV-ZOBORPQBSA-N -1 1 380.456 1.178 20 0 GDADMM C[C@H]1C[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CN1C(=O)c1cnco1 ZINC001571172311 952806017 /nfs/dbraw/zinc/80/60/17/952806017.db2.gz SMGAYVSEWCHTHE-BQBZGAKWSA-N -1 1 380.821 1.680 20 0 GDADMM CC(C)c1[nH]ccc1C(=O)NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571180559 952859805 /nfs/dbraw/zinc/85/98/05/952859805.db2.gz QSELAMYJKJDXJD-UHFFFAOYSA-N -1 1 381.444 1.507 20 0 GDADMM CC(C)c1[nH]ccc1C(=O)NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571180559 952859808 /nfs/dbraw/zinc/85/98/08/952859808.db2.gz QSELAMYJKJDXJD-UHFFFAOYSA-N -1 1 381.444 1.507 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C)n1cccc1 ZINC001571181391 952865003 /nfs/dbraw/zinc/86/50/03/952865003.db2.gz WAZVBOBQELBSQN-GXTWGEPZSA-N -1 1 381.444 1.050 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C)n1cccc1 ZINC001571181391 952865011 /nfs/dbraw/zinc/86/50/11/952865011.db2.gz WAZVBOBQELBSQN-GXTWGEPZSA-N -1 1 381.444 1.050 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](NC(=O)c3cc[nH]c3)C[C@@H]2C)n1 ZINC001571183654 952880982 /nfs/dbraw/zinc/88/09/82/952880982.db2.gz GZDUQPXGIUFAHY-WCQYABFASA-N -1 1 381.444 1.335 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](NC(=O)c3cc[nH]c3)C[C@@H]2C)n1 ZINC001571183654 952880986 /nfs/dbraw/zinc/88/09/86/952880986.db2.gz GZDUQPXGIUFAHY-WCQYABFASA-N -1 1 381.444 1.335 20 0 GDADMM CCc1nc(N[C@H]2C[C@H](CNC(=O)c3cccn3C)C2)cc(-c2nnn[n-]2)n1 ZINC001571184030 952887171 /nfs/dbraw/zinc/88/71/71/952887171.db2.gz OTJKXYMTGKNOOT-HAQNSBGRSA-N -1 1 381.444 1.178 20 0 GDADMM CCc1nc(N[C@H]2C[C@H](CNC(=O)c3cccn3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571184030 952887174 /nfs/dbraw/zinc/88/71/74/952887174.db2.gz OTJKXYMTGKNOOT-HAQNSBGRSA-N -1 1 381.444 1.178 20 0 GDADMM CCc1[nH]ccc1C(=O)N[C@@]1(C)CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571184143 952888068 /nfs/dbraw/zinc/88/80/68/952888068.db2.gz RMMAMXQRZWNQFF-SFHVURJKSA-N -1 1 381.444 1.254 20 0 GDADMM CCc1[nH]ccc1C(=O)N[C@@]1(C)CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571184143 952888069 /nfs/dbraw/zinc/88/80/69/952888069.db2.gz RMMAMXQRZWNQFF-SFHVURJKSA-N -1 1 381.444 1.254 20 0 GDADMM Cc1c(C(=O)N(C)C2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)ccn1C ZINC001571185712 952903587 /nfs/dbraw/zinc/90/35/87/952903587.db2.gz OTPBXMREFKVHFD-UHFFFAOYSA-N -1 1 381.444 1.045 20 0 GDADMM Cc1cc(C(=O)N2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C(C)(C)C2)c(C)[nH]1 ZINC001571186041 952904204 /nfs/dbraw/zinc/90/42/04/952904204.db2.gz QPTXOPCSTXUABX-CYBMUJFWSA-N -1 1 381.444 1.564 20 0 GDADMM Cc1cc(C(=O)N2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C(C)(C)C2)c(C)[nH]1 ZINC001571186041 952904209 /nfs/dbraw/zinc/90/42/09/952904209.db2.gz QPTXOPCSTXUABX-CYBMUJFWSA-N -1 1 381.444 1.564 20 0 GDADMM CCn1cccc1C(=O)NC1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001571186254 952905607 /nfs/dbraw/zinc/90/56/07/952905607.db2.gz UHUUNDFKSYYSJM-UHFFFAOYSA-N -1 1 381.444 1.185 20 0 GDADMM CCn1cccc1C(=O)NC1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001571186254 952905609 /nfs/dbraw/zinc/90/56/09/952905609.db2.gz UHUUNDFKSYYSJM-UHFFFAOYSA-N -1 1 381.444 1.185 20 0 GDADMM Cc1ccc(C(=O)N2CCC(N(C)c3ccnc(-c4nn[n-]n4)n3)CC2)n1C ZINC001571188418 952914100 /nfs/dbraw/zinc/91/41/00/952914100.db2.gz KMWZHRPTOFTJFU-UHFFFAOYSA-N -1 1 381.444 1.045 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)n1C ZINC001571188912 952921412 /nfs/dbraw/zinc/92/14/12/952921412.db2.gz PGHDLTSXCFPBQF-STQMWFEESA-N -1 1 381.444 1.314 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)n1C ZINC001571188912 952921414 /nfs/dbraw/zinc/92/14/14/952921414.db2.gz PGHDLTSXCFPBQF-STQMWFEESA-N -1 1 381.444 1.314 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CC[C@H](C)[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571189538 952930533 /nfs/dbraw/zinc/93/05/33/952930533.db2.gz WZBOAFZGORIZJA-AAEUAGOBSA-N -1 1 381.444 1.504 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CC[C@H](C)[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571189538 952930537 /nfs/dbraw/zinc/93/05/37/952930537.db2.gz WZBOAFZGORIZJA-AAEUAGOBSA-N -1 1 381.444 1.504 20 0 GDADMM Cn1ccc(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)CC2(C)C)c1 ZINC001571189853 952936450 /nfs/dbraw/zinc/93/64/50/952936450.db2.gz XPFMAARLHRWKGF-AWEZNQCLSA-N -1 1 381.444 1.030 20 0 GDADMM Cn1ccc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)CC2(C)C)c1 ZINC001571189853 952936452 /nfs/dbraw/zinc/93/64/52/952936452.db2.gz XPFMAARLHRWKGF-AWEZNQCLSA-N -1 1 381.444 1.030 20 0 GDADMM O=C(N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1)C1(C(F)(F)F)CC1 ZINC001571194501 952964880 /nfs/dbraw/zinc/96/48/80/952964880.db2.gz OELIOEUYRMPRBW-VIFPVBQESA-N -1 1 382.350 1.402 20 0 GDADMM O=C(N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1)C1(C(F)(F)F)CC1 ZINC001571194501 952964887 /nfs/dbraw/zinc/96/48/87/952964887.db2.gz OELIOEUYRMPRBW-VIFPVBQESA-N -1 1 382.350 1.402 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H](N(C)c3cncc(-c4nnn[n-]4)n3)C2)ccc1F ZINC001571195567 952976602 /nfs/dbraw/zinc/97/66/02/952976602.db2.gz BWGWDFFCXGSRNI-CYBMUJFWSA-N -1 1 382.403 1.455 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H](N(C)c3cncc(-c4nn[n-]n4)n3)C2)ccc1F ZINC001571195567 952976605 /nfs/dbraw/zinc/97/66/05/952976605.db2.gz BWGWDFFCXGSRNI-CYBMUJFWSA-N -1 1 382.403 1.455 20 0 GDADMM Cc1ccc(C(=O)N2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C[C@@H]2C)c(F)c1 ZINC001571195609 952977799 /nfs/dbraw/zinc/97/77/99/952977799.db2.gz COOHSUDKBIPUCO-RYUDHWBXSA-N -1 1 382.403 1.819 20 0 GDADMM Cc1ccc(C(=O)N2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C[C@@H]2C)c(F)c1 ZINC001571195609 952977803 /nfs/dbraw/zinc/97/78/03/952977803.db2.gz COOHSUDKBIPUCO-RYUDHWBXSA-N -1 1 382.403 1.819 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)c3ccccc3F)[C@H]2C)n1 ZINC001571196699 952983518 /nfs/dbraw/zinc/98/35/18/952983518.db2.gz MMEQUGJFPATRGH-FZMZJTMJSA-N -1 1 382.403 1.819 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)c3ccccc3F)[C@H]2C)n1 ZINC001571196699 952983525 /nfs/dbraw/zinc/98/35/25/952983525.db2.gz MMEQUGJFPATRGH-FZMZJTMJSA-N -1 1 382.403 1.819 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccc(CF)cc1 ZINC001571196933 952984390 /nfs/dbraw/zinc/98/43/90/952984390.db2.gz QCJGSEAYCIYPMO-FZMZJTMJSA-N -1 1 382.403 1.841 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(CF)cc1 ZINC001571196933 952984394 /nfs/dbraw/zinc/98/43/94/952984394.db2.gz QCJGSEAYCIYPMO-FZMZJTMJSA-N -1 1 382.403 1.841 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](CNC(=O)c3ccccc3F)C2)n1 ZINC001571197102 952985591 /nfs/dbraw/zinc/98/55/91/952985591.db2.gz RWPIPFSDGGNXLU-LBPRGKRZSA-N -1 1 382.403 1.361 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](CNC(=O)c3ccccc3F)C2)n1 ZINC001571197102 952985597 /nfs/dbraw/zinc/98/55/97/952985597.db2.gz RWPIPFSDGGNXLU-LBPRGKRZSA-N -1 1 382.403 1.361 20 0 GDADMM Cc1cc(C(=O)N[C@H]2C[C@H](CNc3nccnc3-c3nnn[n-]3)C2)ccc1F ZINC001571197000 952986112 /nfs/dbraw/zinc/98/61/12/952986112.db2.gz RCPSCRASINEWQC-AULYBMBSSA-N -1 1 382.403 1.725 20 0 GDADMM Cc1cc(C(=O)N[C@H]2C[C@H](CNc3nccnc3-c3nn[n-]n3)C2)ccc1F ZINC001571197000 952986118 /nfs/dbraw/zinc/98/61/18/952986118.db2.gz RCPSCRASINEWQC-AULYBMBSSA-N -1 1 382.403 1.725 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@H](NC(=O)Cc3cccc(F)c3)C2)n1 ZINC001571197176 952987617 /nfs/dbraw/zinc/98/76/17/952987617.db2.gz TYEPOJYHGVKYFE-HDJSIYSDSA-N -1 1 382.403 1.406 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@H](NC(=O)Cc3cccc(F)c3)C2)n1 ZINC001571197176 952987622 /nfs/dbraw/zinc/98/76/22/952987622.db2.gz TYEPOJYHGVKYFE-HDJSIYSDSA-N -1 1 382.403 1.406 20 0 GDADMM CCc1occc1C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C[C@@H]1C ZINC001571198760 952994238 /nfs/dbraw/zinc/99/42/38/952994238.db2.gz FUONBSYGWCMYFE-NWDGAFQWSA-N -1 1 382.428 1.917 20 0 GDADMM CCc1occc1C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C[C@@H]1C ZINC001571198760 952994240 /nfs/dbraw/zinc/99/42/40/952994240.db2.gz FUONBSYGWCMYFE-NWDGAFQWSA-N -1 1 382.428 1.917 20 0 GDADMM CCc1occc1C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571198992 952994624 /nfs/dbraw/zinc/99/46/24/952994624.db2.gz JSONHIRCQVIHAD-GFCCVEGCSA-N -1 1 382.428 1.601 20 0 GDADMM CCc1occc1C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571198992 952994628 /nfs/dbraw/zinc/99/46/28/952994628.db2.gz JSONHIRCQVIHAD-GFCCVEGCSA-N -1 1 382.428 1.601 20 0 GDADMM O=C(c1ccc(CF)cc1)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571199959 953005829 /nfs/dbraw/zinc/00/58/29/953005829.db2.gz FAVTYOUONDLACI-ZDUSSCGKSA-N -1 1 382.403 1.700 20 0 GDADMM O=C(c1ccc(CF)cc1)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571199959 953005831 /nfs/dbraw/zinc/00/58/31/953005831.db2.gz FAVTYOUONDLACI-ZDUSSCGKSA-N -1 1 382.403 1.700 20 0 GDADMM O=C(N[C@H]1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)c1cccc(F)c1 ZINC001571200328 953008711 /nfs/dbraw/zinc/00/87/11/953008711.db2.gz HTVLKOJWXGLUAI-OCCSQVGLSA-N -1 1 382.403 1.806 20 0 GDADMM O=C(N[C@H]1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)c1cccc(F)c1 ZINC001571200328 953008715 /nfs/dbraw/zinc/00/87/15/953008715.db2.gz HTVLKOJWXGLUAI-OCCSQVGLSA-N -1 1 382.403 1.806 20 0 GDADMM CCCc1occc1C(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571200534 953010065 /nfs/dbraw/zinc/01/00/65/953010065.db2.gz JLAXKOFCUXZARU-LBPRGKRZSA-N -1 1 382.428 1.919 20 0 GDADMM CCCc1occc1C(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571200534 953010070 /nfs/dbraw/zinc/01/00/70/953010070.db2.gz JLAXKOFCUXZARU-LBPRGKRZSA-N -1 1 382.428 1.919 20 0 GDADMM CCCc1occc1C(=O)NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571201547 953018898 /nfs/dbraw/zinc/01/88/98/953018898.db2.gz RJOZUJMXKRRFIX-GFCCVEGCSA-N -1 1 382.428 1.601 20 0 GDADMM CCCc1occc1C(=O)NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571201547 953018901 /nfs/dbraw/zinc/01/89/01/953018901.db2.gz RJOZUJMXKRRFIX-GFCCVEGCSA-N -1 1 382.428 1.601 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571202029 953022277 /nfs/dbraw/zinc/02/22/77/953022277.db2.gz UPSAFUWFXYAXSM-GFCCVEGCSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571202029 953022283 /nfs/dbraw/zinc/02/22/83/953022283.db2.gz UPSAFUWFXYAXSM-GFCCVEGCSA-N -1 1 382.428 1.531 20 0 GDADMM Cc1cocc1C(=O)N1CC[C@@H](C)[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571202658 953028053 /nfs/dbraw/zinc/02/80/53/953028053.db2.gz WZKNUQPFWVXXNO-YPMHNXCESA-N -1 1 382.428 1.768 20 0 GDADMM Cc1cocc1C(=O)N1CC[C@@H](C)[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571202658 953028058 /nfs/dbraw/zinc/02/80/58/953028058.db2.gz WZKNUQPFWVXXNO-YPMHNXCESA-N -1 1 382.428 1.768 20 0 GDADMM CCn1cnc(C(=O)N[C@H]2CCC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571206380 953050344 /nfs/dbraw/zinc/05/03/44/953050344.db2.gz FUFJSNNVEHRPMO-NEPJUHHUSA-N -1 1 382.432 1.026 20 0 GDADMM CCn1cnc(C(=O)N[C@H]2CCC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571206380 953050346 /nfs/dbraw/zinc/05/03/46/953050346.db2.gz FUFJSNNVEHRPMO-NEPJUHHUSA-N -1 1 382.432 1.026 20 0 GDADMM Cc1c[nH]nc1C(=O)N1CCCC[C@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001571206692 953054313 /nfs/dbraw/zinc/05/43/13/953054313.db2.gz JFKARBOOGLCKMV-LBPRGKRZSA-N -1 1 382.432 1.185 20 0 GDADMM Cc1c[nH]nc1C(=O)N1CCCC[C@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001571206692 953054317 /nfs/dbraw/zinc/05/43/17/953054317.db2.gz JFKARBOOGLCKMV-LBPRGKRZSA-N -1 1 382.432 1.185 20 0 GDADMM O=C(c1sccc1C1CC1)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571210605 953073128 /nfs/dbraw/zinc/07/31/28/953073128.db2.gz UGRZIJJPIGPTLO-NSHDSACASA-N -1 1 382.453 1.922 20 0 GDADMM O=C(c1sccc1C1CC1)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571210605 953073130 /nfs/dbraw/zinc/07/31/30/953073130.db2.gz UGRZIJJPIGPTLO-NSHDSACASA-N -1 1 382.453 1.922 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@]3(CCN(C(=O)[C@@H]4C[C@H]4C)C3)C2)n1 ZINC001571211578 953078404 /nfs/dbraw/zinc/07/84/04/953078404.db2.gz BYWXCPPUAXRIDN-VPZZIHKRSA-N -1 1 382.472 1.304 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@]3(CCN(C(=O)[C@@H]4C[C@H]4C)C3)C2)n1 ZINC001571211578 953078410 /nfs/dbraw/zinc/07/84/10/953078410.db2.gz BYWXCPPUAXRIDN-VPZZIHKRSA-N -1 1 382.472 1.304 20 0 GDADMM CC1(NC(=O)[C@H]2CC23CCCC3)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571211593 953078651 /nfs/dbraw/zinc/07/86/51/953078651.db2.gz COBAZBMQZZROHZ-CYBMUJFWSA-N -1 1 382.472 1.712 20 0 GDADMM CC1(NC(=O)[C@H]2CC23CCCC3)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571211593 953078655 /nfs/dbraw/zinc/07/86/55/953078655.db2.gz COBAZBMQZZROHZ-CYBMUJFWSA-N -1 1 382.472 1.712 20 0 GDADMM CN(C(=O)[C@@H]1CC[C@H]2C[C@H]2C1)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571211781 953080572 /nfs/dbraw/zinc/08/05/72/953080572.db2.gz GHFVGCADZUFCCR-MJBXVCDLSA-N -1 1 382.472 1.520 20 0 GDADMM CN(C(=O)[C@@H]1CC[C@H]2C[C@H]2C1)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571211781 953080575 /nfs/dbraw/zinc/08/05/75/953080575.db2.gz GHFVGCADZUFCCR-MJBXVCDLSA-N -1 1 382.472 1.520 20 0 GDADMM C[C@H](C(=O)N[C@]12CCC[C@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2)C1CCC1 ZINC001571212065 953083515 /nfs/dbraw/zinc/08/35/15/953083515.db2.gz IEUURQVTXTZUMF-HGQUKEQDSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H](C(=O)N[C@]12CCC[C@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2)C1CCC1 ZINC001571212065 953083519 /nfs/dbraw/zinc/08/35/19/953083519.db2.gz IEUURQVTXTZUMF-HGQUKEQDSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H]1CCCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571212092 953083728 /nfs/dbraw/zinc/08/37/28/953083728.db2.gz IPSOWEQBIXPXNB-VQJWOFKYSA-N -1 1 382.472 1.164 20 0 GDADMM C[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1CNC(=O)C1CC2(CCC2)C1 ZINC001571212267 953086134 /nfs/dbraw/zinc/08/61/34/953086134.db2.gz KIALSOYSJMVQMM-TZMCWYRMSA-N -1 1 382.472 1.426 20 0 GDADMM C[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1CNC(=O)C1CC2(CCC2)C1 ZINC001571212267 953086137 /nfs/dbraw/zinc/08/61/37/953086137.db2.gz KIALSOYSJMVQMM-TZMCWYRMSA-N -1 1 382.472 1.426 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](NC(=O)[C@@H]3C[C@H]3C3CCC3)C2)n1 ZINC001571212291 953087423 /nfs/dbraw/zinc/08/74/23/953087423.db2.gz KVZATCLJAVXXJY-SOUVJXGZSA-N -1 1 382.472 1.486 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](NC(=O)[C@@H]3C[C@H]3C3CCC3)C2)n1 ZINC001571212291 953087426 /nfs/dbraw/zinc/08/74/26/953087426.db2.gz KVZATCLJAVXXJY-SOUVJXGZSA-N -1 1 382.472 1.486 20 0 GDADMM C[C@@H]1C[C@H]1C(=O)N1CC2(C[C@@H]1C)CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001571213209 953093265 /nfs/dbraw/zinc/09/32/65/953093265.db2.gz PRNJWZJNYCJLGC-HZSPNIEDSA-N -1 1 382.472 1.520 20 0 GDADMM C[C@@H]1C[C@H]1C(=O)N1CC2(C[C@@H]1C)CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001571213209 953093268 /nfs/dbraw/zinc/09/32/68/953093268.db2.gz PRNJWZJNYCJLGC-HZSPNIEDSA-N -1 1 382.472 1.520 20 0 GDADMM C[C@H](NC(=O)[C@@H]1CC12CCC2)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571213640 953096537 /nfs/dbraw/zinc/09/65/37/953096537.db2.gz SMBKTWXLOJLEOZ-JSGCOSHPSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H]1CCC[C@H]1CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571214022 953098797 /nfs/dbraw/zinc/09/87/97/953098797.db2.gz VFYLAEJDXUQNMU-ZQDZILKHSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1NC(=O)C1(C2CCC2)CCC1 ZINC001571214080 953099092 /nfs/dbraw/zinc/09/90/92/953099092.db2.gz WHDDMXAVUHKGCF-IUODEOHRSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)C1(C2CCC2)CCC1 ZINC001571214080 953099096 /nfs/dbraw/zinc/09/90/96/953099096.db2.gz WHDDMXAVUHKGCF-IUODEOHRSA-N -1 1 382.472 1.568 20 0 GDADMM O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571216882 953104766 /nfs/dbraw/zinc/10/47/66/953104766.db2.gz BMDSZPAFUXJXCE-TTZDDIAXSA-N -1 1 382.472 1.308 20 0 GDADMM O=C(NC[C@@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1)C1CC2(CCC2)C1 ZINC001571216885 953104802 /nfs/dbraw/zinc/10/48/02/953104802.db2.gz BNAHHQUQOPMOPY-AWEZNQCLSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(NC[C@@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1)C1CC2(CCC2)C1 ZINC001571216885 953104806 /nfs/dbraw/zinc/10/48/06/953104806.db2.gz BNAHHQUQOPMOPY-AWEZNQCLSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C1CC2(CCC2)C1 ZINC001571217243 953106046 /nfs/dbraw/zinc/10/60/46/953106046.db2.gz CYRPFKRWCQGKSD-AWEZNQCLSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C1CC2(CCC2)C1 ZINC001571217243 953106048 /nfs/dbraw/zinc/10/60/48/953106048.db2.gz CYRPFKRWCQGKSD-AWEZNQCLSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(NCC1CCN(c2nccnc2-c2nnn[n-]2)CC1)[C@]12C[C@H]1CCCC2 ZINC001571218779 953118712 /nfs/dbraw/zinc/11/87/12/953118712.db2.gz RDDLYHILVQRTQZ-AUUYWEPGSA-N -1 1 382.472 1.570 20 0 GDADMM O=C(NCC1CCN(c2nccnc2-c2nn[n-]n2)CC1)[C@]12C[C@H]1CCCC2 ZINC001571218779 953118715 /nfs/dbraw/zinc/11/87/15/953118715.db2.gz RDDLYHILVQRTQZ-AUUYWEPGSA-N -1 1 382.472 1.570 20 0 GDADMM O=C(N[C@H]1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1cncc(F)c1 ZINC001571219690 953126948 /nfs/dbraw/zinc/12/69/48/953126948.db2.gz QDAACDDNKWHCQW-MFKMUULPSA-N -1 1 383.391 1.201 20 0 GDADMM O=C(N[C@H]1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1cncc(F)c1 ZINC001571219690 953126952 /nfs/dbraw/zinc/12/69/52/953126952.db2.gz QDAACDDNKWHCQW-MFKMUULPSA-N -1 1 383.391 1.201 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571222397 953134315 /nfs/dbraw/zinc/13/43/15/953134315.db2.gz HUEZDLRDRLZZCP-NSHDSACASA-N -1 1 383.416 1.024 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571222397 953134316 /nfs/dbraw/zinc/13/43/16/953134316.db2.gz HUEZDLRDRLZZCP-NSHDSACASA-N -1 1 383.416 1.024 20 0 GDADMM CCc1ocnc1C(=O)N1CCC(CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571223231 953142030 /nfs/dbraw/zinc/14/20/30/953142030.db2.gz QWCSVSIOHKZFTD-UHFFFAOYSA-N -1 1 383.416 1.171 20 0 GDADMM CCc1ocnc1C(=O)N1CCC(CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571223231 953142034 /nfs/dbraw/zinc/14/20/34/953142034.db2.gz QWCSVSIOHKZFTD-UHFFFAOYSA-N -1 1 383.416 1.171 20 0 GDADMM Cc1noc(C)c1C(=O)N[C@H]1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571224895 953151111 /nfs/dbraw/zinc/15/11/11/953151111.db2.gz GAGGYLQLILNPIZ-RYUDHWBXSA-N -1 1 383.416 1.272 20 0 GDADMM Cc1noc(C)c1C(=O)N[C@H]1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571224895 953151115 /nfs/dbraw/zinc/15/11/15/953151115.db2.gz GAGGYLQLILNPIZ-RYUDHWBXSA-N -1 1 383.416 1.272 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CC[C@H](C)N(c3nc(C)cc(-c4nnn[n-]4)n3)C2)on1 ZINC001571225634 953153877 /nfs/dbraw/zinc/15/38/77/953153877.db2.gz LWELKMLTQQWQEG-RYUDHWBXSA-N -1 1 383.416 1.049 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CC[C@H](C)N(c3nc(C)cc(-c4nn[n-]n4)n3)C2)on1 ZINC001571225634 953153878 /nfs/dbraw/zinc/15/38/78/953153878.db2.gz LWELKMLTQQWQEG-RYUDHWBXSA-N -1 1 383.416 1.049 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H](CNc3cncc(-c4nnn[n-]4)n3)[C@@H](C)C2)on1 ZINC001571226416 953155549 /nfs/dbraw/zinc/15/55/49/953155549.db2.gz QJGWLJHMQURKQA-JQWIXIFHSA-N -1 1 383.416 1.163 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H](CNc3cncc(-c4nn[n-]n4)n3)[C@@H](C)C2)on1 ZINC001571226416 953155550 /nfs/dbraw/zinc/15/55/50/953155550.db2.gz QJGWLJHMQURKQA-JQWIXIFHSA-N -1 1 383.416 1.163 20 0 GDADMM Cc1nocc1C(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1 ZINC001571228390 953163709 /nfs/dbraw/zinc/16/37/09/953163709.db2.gz OCRYPHMAETYMJV-PWSUYJOCSA-N -1 1 383.416 1.163 20 0 GDADMM Cc1nocc1C(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1 ZINC001571228390 953163712 /nfs/dbraw/zinc/16/37/12/953163712.db2.gz OCRYPHMAETYMJV-PWSUYJOCSA-N -1 1 383.416 1.163 20 0 GDADMM C[C@H](Sc1ccccc1C(=O)NCc1ccnc(-c2nnn[n-]2)c1)C(N)=O ZINC001571230772 953180544 /nfs/dbraw/zinc/18/05/44/953180544.db2.gz JZUVAFAJTPIFQN-JTQLQIEISA-N -1 1 383.437 1.158 20 0 GDADMM C[C@H](Sc1ccccc1C(=O)NCc1ccnc(-c2nn[n-]n2)c1)C(N)=O ZINC001571230772 953180547 /nfs/dbraw/zinc/18/05/47/953180547.db2.gz JZUVAFAJTPIFQN-JTQLQIEISA-N -1 1 383.437 1.158 20 0 GDADMM O=C(CC(F)(F)F)N1CCCC[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001571234628 953203704 /nfs/dbraw/zinc/20/37/04/953203704.db2.gz DPDFNAMURTXMKW-JTQLQIEISA-N -1 1 384.366 1.792 20 0 GDADMM O=C(CC(F)(F)F)N1CCCC[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001571234628 953203705 /nfs/dbraw/zinc/20/37/05/953203705.db2.gz DPDFNAMURTXMKW-JTQLQIEISA-N -1 1 384.366 1.792 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1)C(F)(F)F ZINC001571235091 953208646 /nfs/dbraw/zinc/20/86/46/953208646.db2.gz SGSDZKDEPBIEMQ-ZJUUUORDSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1)C(F)(F)F ZINC001571235091 953208650 /nfs/dbraw/zinc/20/86/50/953208650.db2.gz SGSDZKDEPBIEMQ-ZJUUUORDSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@]1(C(=O)N[C@H]2C[C@H](Nc3nc(Cl)c(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001571235125 953209504 /nfs/dbraw/zinc/20/95/04/953209504.db2.gz UMWVMTGOAQIIKX-FZVNPBSJSA-N -1 1 383.865 1.462 20 0 GDADMM C[C@]1(C(=O)N[C@H]2C[C@H](Nc3nc(Cl)c(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001571235125 953209507 /nfs/dbraw/zinc/20/95/07/953209507.db2.gz UMWVMTGOAQIIKX-FZVNPBSJSA-N -1 1 383.865 1.462 20 0 GDADMM COc1ccc(C(=O)N[C@H]2CC[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)o1 ZINC001571237935 953224135 /nfs/dbraw/zinc/22/41/35/953224135.db2.gz ONKFGVFHLFHGBX-MNOVXSKESA-N -1 1 384.400 1.269 20 0 GDADMM COc1ccc(C(=O)N[C@H]2CC[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)o1 ZINC001571237935 953224141 /nfs/dbraw/zinc/22/41/41/953224141.db2.gz ONKFGVFHLFHGBX-MNOVXSKESA-N -1 1 384.400 1.269 20 0 GDADMM CS(=O)(=O)c1cccc2c1N(C(=O)c1ccc(-c3nnn[n-]3)nc1)CCC2 ZINC001571242283 953254330 /nfs/dbraw/zinc/25/43/30/953254330.db2.gz YKLDOKIDAYRSDG-UHFFFAOYSA-N -1 1 384.421 1.258 20 0 GDADMM CS(=O)(=O)c1cccc2c1N(C(=O)c1ccc(-c3nn[n-]n3)nc1)CCC2 ZINC001571242283 953254333 /nfs/dbraw/zinc/25/43/33/953254333.db2.gz YKLDOKIDAYRSDG-UHFFFAOYSA-N -1 1 384.421 1.258 20 0 GDADMM C[C@@H]1CCN(C(=O)C2=COCCC2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571242720 953259403 /nfs/dbraw/zinc/25/94/03/953259403.db2.gz MKPLPQVCFNTMHT-TZMCWYRMSA-N -1 1 384.444 1.248 20 0 GDADMM C[C@@H]1CCN(C(=O)C2=COCCC2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571242720 953259404 /nfs/dbraw/zinc/25/94/04/953259404.db2.gz MKPLPQVCFNTMHT-TZMCWYRMSA-N -1 1 384.444 1.248 20 0 GDADMM C[C@@H]1CCN(C(=O)C2=COCCC2)[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571243092 953262454 /nfs/dbraw/zinc/26/24/54/953262454.db2.gz VQXWIUQSPGIMRV-OCCSQVGLSA-N -1 1 384.444 1.390 20 0 GDADMM C[C@@H]1CCN(C(=O)C2=COCCC2)[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571243092 953262455 /nfs/dbraw/zinc/26/24/55/953262455.db2.gz VQXWIUQSPGIMRV-OCCSQVGLSA-N -1 1 384.444 1.390 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](NC(=O)c3cccs3)[C@@H]2C)n1 ZINC001571244530 953264034 /nfs/dbraw/zinc/26/40/34/953264034.db2.gz AGRLCLQBMVWJLB-NWDGAFQWSA-N -1 1 384.469 1.814 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](NC(=O)c3cccs3)[C@@H]2C)n1 ZINC001571244530 953264037 /nfs/dbraw/zinc/26/40/37/953264037.db2.gz AGRLCLQBMVWJLB-NWDGAFQWSA-N -1 1 384.469 1.814 20 0 GDADMM Cc1ccc(CC(=O)N2C[C@H](C)[C@H](Nc3nccnc3-c3nnn[n-]3)C2)s1 ZINC001571244555 953265307 /nfs/dbraw/zinc/26/53/07/953265307.db2.gz APSDDDUMLLRMGW-GXFFZTMASA-N -1 1 384.469 1.528 20 0 GDADMM Cc1ccc(CC(=O)N2C[C@H](C)[C@H](Nc3nccnc3-c3nn[n-]n3)C2)s1 ZINC001571244555 953265309 /nfs/dbraw/zinc/26/53/09/953265309.db2.gz APSDDDUMLLRMGW-GXFFZTMASA-N -1 1 384.469 1.528 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CN(C(=O)Cc3ccsc3)C[C@H]2C)n1 ZINC001571244692 953265947 /nfs/dbraw/zinc/26/59/47/953265947.db2.gz FEPQMLTVWHCOCL-QMTHXVAHSA-N -1 1 384.469 1.528 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CN(C(=O)Cc3ccsc3)C[C@H]2C)n1 ZINC001571244692 953265950 /nfs/dbraw/zinc/26/59/50/953265950.db2.gz FEPQMLTVWHCOCL-QMTHXVAHSA-N -1 1 384.469 1.528 20 0 GDADMM Cc1cscc1C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C ZINC001571244806 953267166 /nfs/dbraw/zinc/26/71/66/953267166.db2.gz JJHWDWQKNJMAKN-YPMHNXCESA-N -1 1 384.469 1.814 20 0 GDADMM Cc1cscc1C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C ZINC001571244806 953267170 /nfs/dbraw/zinc/26/71/70/953267170.db2.gz JJHWDWQKNJMAKN-YPMHNXCESA-N -1 1 384.469 1.814 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)c2cscc2C)CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571244847 953267840 /nfs/dbraw/zinc/26/78/40/953267840.db2.gz KGKBNDIOQXTGJO-GXTWGEPZSA-N -1 1 384.469 1.814 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)c2cscc2C)CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571244847 953267842 /nfs/dbraw/zinc/26/78/42/953267842.db2.gz KGKBNDIOQXTGJO-GXTWGEPZSA-N -1 1 384.469 1.814 20 0 GDADMM Cc1cc(C(=O)N2C[C@H](C)[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)sc1C ZINC001571245253 953271313 /nfs/dbraw/zinc/27/13/13/953271313.db2.gz QOLLSBUVRMCHNQ-GXFFZTMASA-N -1 1 384.469 1.908 20 0 GDADMM Cc1cc(C(=O)N2C[C@H](C)[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)sc1C ZINC001571245253 953271316 /nfs/dbraw/zinc/27/13/16/953271316.db2.gz QOLLSBUVRMCHNQ-GXFFZTMASA-N -1 1 384.469 1.908 20 0 GDADMM Cc1nsc(N2CC[C@@H](CNC(=O)c3ccncc3C)C2)c1-c1nn[n-]n1 ZINC001571245814 953277001 /nfs/dbraw/zinc/27/70/01/953277001.db2.gz ZJBAAPXNOLYQFA-LBPRGKRZSA-N -1 1 384.469 1.591 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCc1cccs1 ZINC001571246144 953281166 /nfs/dbraw/zinc/28/11/66/953281166.db2.gz UYZWKDRECHMHPL-AAEUAGOBSA-N -1 1 384.469 1.752 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1cccs1 ZINC001571246144 953281168 /nfs/dbraw/zinc/28/11/68/953281168.db2.gz UYZWKDRECHMHPL-AAEUAGOBSA-N -1 1 384.469 1.752 20 0 GDADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CCN(C(=O)c2ccsc2)CC1 ZINC001571246279 953282133 /nfs/dbraw/zinc/28/21/33/953282133.db2.gz XHZAEPGALQBPNK-NSHDSACASA-N -1 1 384.469 1.493 20 0 GDADMM Cc1sccc1CC(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)[C@H]1C ZINC001571247572 953283795 /nfs/dbraw/zinc/28/37/95/953283795.db2.gz AJLXOZVUEKDISX-MFKMUULPSA-N -1 1 384.469 1.671 20 0 GDADMM Cc1sccc1CC(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)[C@H]1C ZINC001571247572 953283799 /nfs/dbraw/zinc/28/37/99/953283799.db2.gz AJLXOZVUEKDISX-MFKMUULPSA-N -1 1 384.469 1.671 20 0 GDADMM Cc1sccc1CC(=O)N1CC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001571248004 953288974 /nfs/dbraw/zinc/28/89/74/953288974.db2.gz LBSDMMSRLFGXOP-ZDUSSCGKSA-N -1 1 384.469 1.306 20 0 GDADMM Cc1sccc1CC(=O)N1CC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001571248004 953288978 /nfs/dbraw/zinc/28/89/78/953288978.db2.gz LBSDMMSRLFGXOP-ZDUSSCGKSA-N -1 1 384.469 1.306 20 0 GDADMM Cc1sccc1C(=O)N[C@H]1CC[C@H](C)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571248359 953292485 /nfs/dbraw/zinc/29/24/85/953292485.db2.gz RPDZSURTGWIFQO-JQWIXIFHSA-N -1 1 384.469 1.814 20 0 GDADMM Cc1sccc1C(=O)N[C@H]1CC[C@H](C)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571248359 953292488 /nfs/dbraw/zinc/29/24/88/953292488.db2.gz RPDZSURTGWIFQO-JQWIXIFHSA-N -1 1 384.469 1.814 20 0 GDADMM CC1(C)CCC[C@@H]1C(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571249168 953301724 /nfs/dbraw/zinc/30/17/24/953301724.db2.gz FDVNQMVHYJVOBI-UONOGXRCSA-N -1 1 384.488 1.698 20 0 GDADMM C[C@]1(NC(=O)[C@H]2CCCCC2(C)C)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571249184 953301969 /nfs/dbraw/zinc/30/19/69/953301969.db2.gz FNCWRXOOKAQNFM-YJYMSZOUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@]1(NC(=O)[C@H]2CCCCC2(C)C)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571249184 953301972 /nfs/dbraw/zinc/30/19/72/953301972.db2.gz FNCWRXOOKAQNFM-YJYMSZOUSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C)C(=O)N1CCC[C@H]([C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571249244 953302239 /nfs/dbraw/zinc/30/22/39/953302239.db2.gz GPHBASZHYAGDQQ-UONOGXRCSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)(C)C(=O)N1CCC[C@H]([C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571249244 953302240 /nfs/dbraw/zinc/30/22/40/953302240.db2.gz GPHBASZHYAGDQQ-UONOGXRCSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1)C1CCC1 ZINC001571249201 953302410 /nfs/dbraw/zinc/30/24/10/953302410.db2.gz FWLJVOYCOPAQOO-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1)C1CCC1 ZINC001571249201 953302415 /nfs/dbraw/zinc/30/24/15/953302415.db2.gz FWLJVOYCOPAQOO-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CC[C@H](C(=O)NC[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571249372 953304153 /nfs/dbraw/zinc/30/41/53/953304153.db2.gz HZTBNCGJNQHNJR-KBPBESRZSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C)CC[C@H](C(=O)NC[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571249372 953304156 /nfs/dbraw/zinc/30/41/56/953304156.db2.gz HZTBNCGJNQHNJR-KBPBESRZSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)CC(=O)N1CCCC[C@@H]1[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571249438 953306080 /nfs/dbraw/zinc/30/60/80/953306080.db2.gz JAZHYIROVKGTIY-LSDHHAIUSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CC(=O)N1CCCC[C@@H]1[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571249438 953306085 /nfs/dbraw/zinc/30/60/85/953306085.db2.gz JAZHYIROVKGTIY-LSDHHAIUSA-N -1 1 384.488 1.910 20 0 GDADMM CCC(CC)C(=O)N1CC[C@]2(C1)CCCN(c1ccnc(-c3nn[n-]n3)n1)C2 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GDADMM Cn1ccnc1[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1F ZINC000737616108 598985386 /nfs/dbraw/zinc/98/53/86/598985386.db2.gz NXZRJTUFJZVLQT-HNNXBMFYSA-N -1 1 378.371 1.654 20 0 GDADMM CCN(CC)C(=O)c1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736530117 598990931 /nfs/dbraw/zinc/99/09/31/598990931.db2.gz XNIIFEWWXNHIGV-UHFFFAOYSA-N -1 1 379.424 1.674 20 0 GDADMM CCN(CC)C(=O)c1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736530117 598990935 /nfs/dbraw/zinc/99/09/35/598990935.db2.gz XNIIFEWWXNHIGV-UHFFFAOYSA-N -1 1 379.424 1.674 20 0 GDADMM O=C(NCc1ccc(N2CCCCC2=O)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738103627 598996808 /nfs/dbraw/zinc/99/68/08/598996808.db2.gz MTBUEQNQCBSBCC-UHFFFAOYSA-N -1 1 377.408 1.709 20 0 GDADMM O=C(NCc1ccc(N2CCCCC2=O)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738103627 598996811 /nfs/dbraw/zinc/99/68/11/598996811.db2.gz MTBUEQNQCBSBCC-UHFFFAOYSA-N -1 1 377.408 1.709 20 0 GDADMM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)n(-c2nc(C)cc(C)n2)n1 ZINC000737255701 599001920 /nfs/dbraw/zinc/00/19/20/599001920.db2.gz CVTDSAHWRFLMJN-UHFFFAOYSA-N -1 1 376.384 1.415 20 0 GDADMM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)n(-c2nc(C)cc(C)n2)n1 ZINC000737255701 599001923 /nfs/dbraw/zinc/00/19/23/599001923.db2.gz CVTDSAHWRFLMJN-UHFFFAOYSA-N -1 1 376.384 1.415 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000738258732 599002601 /nfs/dbraw/zinc/00/26/01/599002601.db2.gz MGUYLVUMBUQVAN-UHFFFAOYSA-N -1 1 399.361 1.138 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000738258732 599002603 /nfs/dbraw/zinc/00/26/03/599002603.db2.gz MGUYLVUMBUQVAN-UHFFFAOYSA-N -1 1 399.361 1.138 20 0 GDADMM O=C(CN(C(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1)N1CCCCC1 ZINC000737861677 599006495 /nfs/dbraw/zinc/00/64/95/599006495.db2.gz HYPLMAFGNJWTFV-UHFFFAOYSA-N -1 1 391.435 1.921 20 0 GDADMM O=C(CN(C(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1)N1CCCCC1 ZINC000737861677 599006496 /nfs/dbraw/zinc/00/64/96/599006496.db2.gz HYPLMAFGNJWTFV-UHFFFAOYSA-N -1 1 391.435 1.921 20 0 GDADMM COc1ccccc1[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1noc(C)n1 ZINC000737142863 599007254 /nfs/dbraw/zinc/00/72/54/599007254.db2.gz QJMGQMYRNNQJBE-HNNXBMFYSA-N -1 1 392.379 1.481 20 0 GDADMM COc1ccccc1[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1noc(C)n1 ZINC000737142863 599007256 /nfs/dbraw/zinc/00/72/56/599007256.db2.gz QJMGQMYRNNQJBE-HNNXBMFYSA-N -1 1 392.379 1.481 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000737199424 599039550 /nfs/dbraw/zinc/03/95/50/599039550.db2.gz HBCHGEFQZAXPLC-APHBMKBZSA-N -1 1 386.456 1.446 20 0 GDADMM COc1ccc(-c2nc(S[C@@H]3CCNC3=O)[nH]c(=O)c2-c2nn[n-]n2)cc1 ZINC000821731841 607258066 /nfs/dbraw/zinc/25/80/66/607258066.db2.gz HOYRGHAFAQZWPA-SNVBAGLBSA-N -1 1 385.409 1.019 20 0 GDADMM Cc1ccc([C@@H](O)CNC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)o1 ZINC000737317920 599055989 /nfs/dbraw/zinc/05/59/89/599055989.db2.gz ABYJFOBXFPBBHE-ZDUSSCGKSA-N -1 1 386.412 1.268 20 0 GDADMM Cc1cc(N2CCC[C@H](Nc3snc(Cl)c3-c3nnn[n-]3)C2=O)n(C)n1 ZINC000822207292 599108687 /nfs/dbraw/zinc/10/86/87/599108687.db2.gz QPLFOMNKXCDUEU-QMMMGPOBSA-N -1 1 393.864 1.626 20 0 GDADMM Cc1cc(N2CCC[C@H](Nc3snc(Cl)c3-c3nn[n-]n3)C2=O)n(C)n1 ZINC000822207292 599108688 /nfs/dbraw/zinc/10/86/88/599108688.db2.gz QPLFOMNKXCDUEU-QMMMGPOBSA-N -1 1 393.864 1.626 20 0 GDADMM O=C(Nc1ccc(S(=O)(=O)NCC2CC2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738173766 599109699 /nfs/dbraw/zinc/10/96/99/599109699.db2.gz FEESECILALAXJO-UHFFFAOYSA-N -1 1 399.436 1.202 20 0 GDADMM O=C(Nc1ccc(S(=O)(=O)NCC2CC2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738173766 599109703 /nfs/dbraw/zinc/10/97/03/599109703.db2.gz FEESECILALAXJO-UHFFFAOYSA-N -1 1 399.436 1.202 20 0 GDADMM CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735495412 599130947 /nfs/dbraw/zinc/13/09/47/599130947.db2.gz IWFFQQFGZDFCFZ-LLVKDONJSA-N -1 1 380.364 1.648 20 0 GDADMM CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735495412 599130950 /nfs/dbraw/zinc/13/09/50/599130950.db2.gz IWFFQQFGZDFCFZ-LLVKDONJSA-N -1 1 380.364 1.648 20 0 GDADMM COc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1OC ZINC000737066812 599131738 /nfs/dbraw/zinc/13/17/38/599131738.db2.gz WDGVZHXTULIMNO-SNVBAGLBSA-N -1 1 383.364 1.707 20 0 GDADMM COc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1OC ZINC000737066812 599131740 /nfs/dbraw/zinc/13/17/40/599131740.db2.gz WDGVZHXTULIMNO-SNVBAGLBSA-N -1 1 383.364 1.707 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N(C)Cc1cccc(F)c1 ZINC000736157765 599134078 /nfs/dbraw/zinc/13/40/78/599134078.db2.gz MDXYTUQEANWDTR-NSHDSACASA-N -1 1 384.371 1.605 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N(C)Cc1cccc(F)c1 ZINC000736157765 599134080 /nfs/dbraw/zinc/13/40/80/599134080.db2.gz MDXYTUQEANWDTR-NSHDSACASA-N -1 1 384.371 1.605 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000736159053 599136058 /nfs/dbraw/zinc/13/60/58/599136058.db2.gz TXAPQIUVMVSQQG-ABROSTTOSA-N -1 1 396.451 1.892 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000736159053 599136059 /nfs/dbraw/zinc/13/60/59/599136059.db2.gz TXAPQIUVMVSQQG-ABROSTTOSA-N -1 1 396.451 1.892 20 0 GDADMM Cc1ccc([C@H](NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)C2CC2)cc1 ZINC000737320610 599143360 /nfs/dbraw/zinc/14/33/60/599143360.db2.gz SAFPUDXDKDHMDD-SFHVURJKSA-N -1 1 392.419 1.994 20 0 GDADMM Cc1ccc([C@H](NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)C2CC2)cc1 ZINC000737320610 599143363 /nfs/dbraw/zinc/14/33/63/599143363.db2.gz SAFPUDXDKDHMDD-SFHVURJKSA-N -1 1 392.419 1.994 20 0 GDADMM O=C(OCCCn1nnc(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738221474 599154926 /nfs/dbraw/zinc/15/49/26/599154926.db2.gz JUGSCHIMTHSPQX-UHFFFAOYSA-N -1 1 377.368 1.162 20 0 GDADMM O=C(OCCCn1nnc(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738221474 599154929 /nfs/dbraw/zinc/15/49/29/599154929.db2.gz JUGSCHIMTHSPQX-UHFFFAOYSA-N -1 1 377.368 1.162 20 0 GDADMM CCO[C@H](C)c1nc(Cn2cc(C(=O)OC)cc(-c3nn[n-]n3)c2=O)cs1 ZINC000736613111 599161349 /nfs/dbraw/zinc/16/13/49/599161349.db2.gz DFXYNPMBZCRIFW-SECBINFHSA-N -1 1 390.425 1.417 20 0 GDADMM O=S(=O)(N[C@H]1C[C@@H]1c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)nc1 ZINC000738328017 599179020 /nfs/dbraw/zinc/17/90/20/599179020.db2.gz BCJITEPANWFAEW-ZANVPECISA-N -1 1 378.364 1.374 20 0 GDADMM O=S(=O)(N[C@H]1C[C@@H]1c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)nc1 ZINC000738328017 599179022 /nfs/dbraw/zinc/17/90/22/599179022.db2.gz BCJITEPANWFAEW-ZANVPECISA-N -1 1 378.364 1.374 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1C[C@H](C)S[C@@H](C)C1 ZINC000822005055 599186771 /nfs/dbraw/zinc/18/67/71/599186771.db2.gz NMIASELDIPGCJO-UWVGGRQHSA-N -1 1 376.486 1.869 20 0 GDADMM O=C(NC1=NCC(=O)N1)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000738305836 599203397 /nfs/dbraw/zinc/20/33/97/599203397.db2.gz CMTAPOUKBLSWCE-UHFFFAOYSA-N -1 1 397.782 1.528 20 0 GDADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1nc(-c2cccc(F)c2)no1 ZINC000820392652 599213127 /nfs/dbraw/zinc/21/31/27/599213127.db2.gz YASICEJRNNRYIL-VIFPVBQESA-N -1 1 380.343 1.942 20 0 GDADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1nc(-c2cccc(F)c2)no1 ZINC000820392652 599213129 /nfs/dbraw/zinc/21/31/29/599213129.db2.gz YASICEJRNNRYIL-VIFPVBQESA-N -1 1 380.343 1.942 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ncncc1-c1ccccc1 ZINC000821601498 607302392 /nfs/dbraw/zinc/30/23/92/607302392.db2.gz KOVWQWREHORWAE-UHFFFAOYSA-N -1 1 376.428 1.698 20 0 GDADMM CC(C)C(NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)C(C)C ZINC000820026390 607299775 /nfs/dbraw/zinc/29/97/75/607299775.db2.gz JKLKYXUZJCGTFU-ZDUSSCGKSA-N -1 1 387.492 1.557 20 0 GDADMM CC(C)C(NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)C(C)C ZINC000820026390 607299776 /nfs/dbraw/zinc/29/97/76/607299776.db2.gz JKLKYXUZJCGTFU-ZDUSSCGKSA-N -1 1 387.492 1.557 20 0 GDADMM O=C([O-])[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2CN2CCSCC2)C1 ZINC000819219621 597523116 /nfs/dbraw/zinc/52/31/16/597523116.db2.gz MZIBUGWRRXSAMV-CQSZACIVSA-N -1 1 377.466 1.107 20 0 GDADMM Cc1ccc(Br)c(S(=O)(=O)N(CCN(C)C)CC(=O)[O-])c1 ZINC000821058472 598059075 /nfs/dbraw/zinc/05/90/75/598059075.db2.gz TZYHBFCCNAASKP-UHFFFAOYSA-N -1 1 379.276 1.394 20 0 GDADMM COc1cccc([C@@H]2[C@H](NC(=O)N3CCO[C@H](C(=O)[O-])C3)CCN2C2CC2)c1 ZINC000820865784 598209343 /nfs/dbraw/zinc/20/93/43/598209343.db2.gz YWCKUJMZXNBLQT-FGTMMUONSA-N -1 1 389.452 1.468 20 0 GDADMM Cc1oc(NC(=O)[C@@H](C)N2CCN(c3cccnn3)CC2)c(-c2nn[n-]n2)c1C ZINC000737551857 598258942 /nfs/dbraw/zinc/25/89/42/598258942.db2.gz KHQFTSYNCOAWEI-GFCCVEGCSA-N -1 1 397.443 1.016 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000738354609 598264667 /nfs/dbraw/zinc/26/46/67/598264667.db2.gz ICDNGUVECWFGKV-HNNXBMFYSA-N -1 1 390.400 1.163 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000738354609 598264668 /nfs/dbraw/zinc/26/46/68/598264668.db2.gz ICDNGUVECWFGKV-HNNXBMFYSA-N -1 1 390.400 1.163 20 0 GDADMM CCOc1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1OC ZINC000736645123 598265647 /nfs/dbraw/zinc/26/56/47/598265647.db2.gz UPSCRIOUAFNPCO-UHFFFAOYSA-N -1 1 390.425 1.148 20 0 GDADMM CCOc1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1OC ZINC000736645123 598265648 /nfs/dbraw/zinc/26/56/48/598265648.db2.gz UPSCRIOUAFNPCO-UHFFFAOYSA-N -1 1 390.425 1.148 20 0 GDADMM Cc1cccc(C)c1OC[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737390931 598268811 /nfs/dbraw/zinc/26/88/11/598268811.db2.gz UBEZNLTWRVHMTJ-CYBMUJFWSA-N -1 1 388.453 1.624 20 0 GDADMM Cc1cccc(C)c1OC[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737390931 598268813 /nfs/dbraw/zinc/26/88/13/598268813.db2.gz UBEZNLTWRVHMTJ-CYBMUJFWSA-N -1 1 388.453 1.624 20 0 GDADMM COCCN([C@H](C)c1ccccc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736988716 598271033 /nfs/dbraw/zinc/27/10/33/598271033.db2.gz RAHCUORKIOGARD-CYBMUJFWSA-N -1 1 388.453 1.660 20 0 GDADMM COCCN([C@H](C)c1ccccc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736988716 598271034 /nfs/dbraw/zinc/27/10/34/598271034.db2.gz RAHCUORKIOGARD-CYBMUJFWSA-N -1 1 388.453 1.660 20 0 GDADMM COC(=O)CCc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000736919425 598283135 /nfs/dbraw/zinc/28/31/35/598283135.db2.gz QXPHRCFGXLJWJD-UHFFFAOYSA-N -1 1 387.421 1.773 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H]1CC(=O)N(C(C)C)C1 ZINC000737547219 598311977 /nfs/dbraw/zinc/31/19/77/598311977.db2.gz INEOZINRMWMOEZ-LBPRGKRZSA-N -1 1 383.412 1.298 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H]1CC(=O)N(C(C)C)C1 ZINC000737547219 598311979 /nfs/dbraw/zinc/31/19/79/598311979.db2.gz INEOZINRMWMOEZ-LBPRGKRZSA-N -1 1 383.412 1.298 20 0 GDADMM Cc1cccc(NC(=O)CN2CCN(c3nccnc3-c3nnn[n-]3)CC2)c1C ZINC000737399649 598337866 /nfs/dbraw/zinc/33/78/66/598337866.db2.gz NMYQVLHRSDSRBR-UHFFFAOYSA-N -1 1 393.455 1.034 20 0 GDADMM Cc1cccc(NC(=O)CN2CCN(c3nccnc3-c3nn[n-]n3)CC2)c1C ZINC000737399649 598337868 /nfs/dbraw/zinc/33/78/68/598337868.db2.gz NMYQVLHRSDSRBR-UHFFFAOYSA-N -1 1 393.455 1.034 20 0 GDADMM O=C(NCc1ccc(F)cc1)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000738103659 598345478 /nfs/dbraw/zinc/34/54/78/598345478.db2.gz NPZXNSTUYBUXCU-UHFFFAOYSA-N -1 1 382.403 1.329 20 0 GDADMM O=C(NCc1ccc(F)cc1)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000738103659 598345480 /nfs/dbraw/zinc/34/54/80/598345480.db2.gz NPZXNSTUYBUXCU-UHFFFAOYSA-N -1 1 382.403 1.329 20 0 GDADMM Brc1ccc([C@H]2CN(c3nccnc3-c3nnn[n-]3)CCO2)cc1 ZINC000735369868 598347342 /nfs/dbraw/zinc/34/73/42/598347342.db2.gz ZFGUAGAZYZJANB-GFCCVEGCSA-N -1 1 388.229 1.997 20 0 GDADMM Brc1ccc([C@H]2CN(c3nccnc3-c3nn[n-]n3)CCO2)cc1 ZINC000735369868 598347344 /nfs/dbraw/zinc/34/73/44/598347344.db2.gz ZFGUAGAZYZJANB-GFCCVEGCSA-N -1 1 388.229 1.997 20 0 GDADMM O=C(CCNc1nccnc1-c1nnn[n-]1)Nc1ccc(Br)cc1 ZINC000737846566 598347429 /nfs/dbraw/zinc/34/74/29/598347429.db2.gz CVSRIUTWJNTTEM-UHFFFAOYSA-N -1 1 389.217 1.860 20 0 GDADMM O=C(CCNc1nccnc1-c1nn[n-]n1)Nc1ccc(Br)cc1 ZINC000737846566 598347431 /nfs/dbraw/zinc/34/74/31/598347431.db2.gz CVSRIUTWJNTTEM-UHFFFAOYSA-N -1 1 389.217 1.860 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(CNc3nccnc3-c3nnn[n-]3)cc2)C[C@H](C)O1 ZINC000736290060 598348634 /nfs/dbraw/zinc/34/86/34/598348634.db2.gz GRZSMATURKWVIJ-BETUJISGSA-N -1 1 394.439 1.518 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(CNc3nccnc3-c3nn[n-]n3)cc2)C[C@H](C)O1 ZINC000736290060 598348636 /nfs/dbraw/zinc/34/86/36/598348636.db2.gz GRZSMATURKWVIJ-BETUJISGSA-N -1 1 394.439 1.518 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)Cc2cc(F)ccc2Br)n1 ZINC000822605007 607352921 /nfs/dbraw/zinc/35/29/21/607352921.db2.gz ULUBPXMOVVDQLM-UHFFFAOYSA-N -1 1 380.181 1.683 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)Cc2cc(F)ccc2Br)n1 ZINC000822605007 607352923 /nfs/dbraw/zinc/35/29/23/607352923.db2.gz ULUBPXMOVVDQLM-UHFFFAOYSA-N -1 1 380.181 1.683 20 0 GDADMM O=S(=O)(N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738329057 598357177 /nfs/dbraw/zinc/35/71/77/598357177.db2.gz MMJAWIPJOSXBIT-HOTGVXAUSA-N -1 1 386.437 1.460 20 0 GDADMM O=S(=O)(N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738329057 598357178 /nfs/dbraw/zinc/35/71/78/598357178.db2.gz MMJAWIPJOSXBIT-HOTGVXAUSA-N -1 1 386.437 1.460 20 0 GDADMM COC(=O)c1cccn2cc(COC(=O)c3sccc3-c3nn[n-]n3)nc12 ZINC000736956577 598371387 /nfs/dbraw/zinc/37/13/87/598371387.db2.gz FREYZDNASULBMO-UHFFFAOYSA-N -1 1 384.377 1.720 20 0 GDADMM CCc1nn(CC(=O)NCCc2ccc(F)cc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706110 598377551 /nfs/dbraw/zinc/37/75/51/598377551.db2.gz TXTJOZWHISVTCA-UHFFFAOYSA-N -1 1 399.430 1.046 20 0 GDADMM CN(C)C(=O)CNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736746491 598393725 /nfs/dbraw/zinc/39/37/25/598393725.db2.gz JIZLKJUEVMFWPA-UHFFFAOYSA-N -1 1 384.371 1.616 20 0 GDADMM CN(C)C(=O)CNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736746491 598393727 /nfs/dbraw/zinc/39/37/27/598393727.db2.gz JIZLKJUEVMFWPA-UHFFFAOYSA-N -1 1 384.371 1.616 20 0 GDADMM CC(C)OCCC(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000735896695 598407373 /nfs/dbraw/zinc/40/73/73/598407373.db2.gz VAQWKYXIVDGZDQ-UHFFFAOYSA-N -1 1 399.411 1.349 20 0 GDADMM CC(C)OCCC(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000735896695 598407375 /nfs/dbraw/zinc/40/73/75/598407375.db2.gz VAQWKYXIVDGZDQ-UHFFFAOYSA-N -1 1 399.411 1.349 20 0 GDADMM CO[C@@H](C)c1cccc(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000736962574 598412707 /nfs/dbraw/zinc/41/27/07/598412707.db2.gz PAPKBYGGAFSRNO-JTQLQIEISA-N -1 1 385.432 1.634 20 0 GDADMM CO[C@@H](C)c1cccc(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000736962574 598412708 /nfs/dbraw/zinc/41/27/08/598412708.db2.gz PAPKBYGGAFSRNO-JTQLQIEISA-N -1 1 385.432 1.634 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC(OC(C)C)CC1 ZINC000737200328 598424634 /nfs/dbraw/zinc/42/46/34/598424634.db2.gz LJBPEBUVLCAYMM-UHFFFAOYSA-N -1 1 388.472 1.933 20 0 GDADMM CN(C)c1ccc(-c2cncc(C(=O)n3ncc(-c4nn[n-]n4)c3N)c2)cc1 ZINC000821588110 607356989 /nfs/dbraw/zinc/35/69/89/607356989.db2.gz BDWSHAZOZNFJHO-UHFFFAOYSA-N -1 1 375.396 1.462 20 0 GDADMM O=C(C[C@@H]1CCCCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccco1 ZINC000822941104 607357396 /nfs/dbraw/zinc/35/73/96/607357396.db2.gz PWTNKHZICVFGEN-LBPRGKRZSA-N -1 1 384.400 1.095 20 0 GDADMM COc1cc(Cl)ccc1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737047888 598472103 /nfs/dbraw/zinc/47/21/03/598472103.db2.gz TYNOVRZIFNKRGC-UHFFFAOYSA-N -1 1 380.817 1.402 20 0 GDADMM COc1cc(Cl)ccc1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737047888 598472105 /nfs/dbraw/zinc/47/21/05/598472105.db2.gz TYNOVRZIFNKRGC-UHFFFAOYSA-N -1 1 380.817 1.402 20 0 GDADMM O=S(=O)(NCCNc1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccccc1 ZINC000738338908 598573818 /nfs/dbraw/zinc/57/38/18/598573818.db2.gz ONMQLUTZTUIUAN-UHFFFAOYSA-N -1 1 379.833 1.306 20 0 GDADMM O=S(=O)(NCCNc1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccccc1 ZINC000738338908 598573820 /nfs/dbraw/zinc/57/38/20/598573820.db2.gz ONMQLUTZTUIUAN-UHFFFAOYSA-N -1 1 379.833 1.306 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H]2CCCC[C@H]2Cc2ccccc2)n(C)c1=O ZINC000737595074 598613650 /nfs/dbraw/zinc/61/36/50/598613650.db2.gz FJTFLOWRQUFPIW-GJZGRUSLSA-N -1 1 395.467 1.478 20 0 GDADMM CCc1nn(CC(=O)N(C)[C@@H]2CCCC[C@@H]2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706389 598643737 /nfs/dbraw/zinc/64/37/37/598643737.db2.gz VURKRYLIDUPQKB-SWLSCSKDSA-N -1 1 387.488 1.585 20 0 GDADMM Cc1nn(-c2ccccc2)c(C)c1NC(=O)Cn1cccc(-c2nn[n-]n2)c1=O ZINC000737503263 598677061 /nfs/dbraw/zinc/67/70/61/598677061.db2.gz GIECGIWVIYHHAS-UHFFFAOYSA-N -1 1 390.407 1.470 20 0 GDADMM CCOC(=O)CN(CC(C)C)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736595038 598690062 /nfs/dbraw/zinc/69/00/62/598690062.db2.gz GUJAJVWSSUDCOA-UHFFFAOYSA-N -1 1 385.421 1.216 20 0 GDADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)Nc1ccc2c(c1)OCO2 ZINC000737980946 598719866 /nfs/dbraw/zinc/71/98/66/598719866.db2.gz GTDZSLGQRRBYPN-UHFFFAOYSA-N -1 1 390.359 1.549 20 0 GDADMM O=S(=O)(N[C@@H](c1nccs1)c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738330922 598769086 /nfs/dbraw/zinc/76/90/86/598769086.db2.gz UNDVDRAUYQPYJL-CQSZACIVSA-N -1 1 399.461 1.786 20 0 GDADMM O=S(=O)(N[C@@H](c1nccs1)c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738330922 598769088 /nfs/dbraw/zinc/76/90/88/598769088.db2.gz UNDVDRAUYQPYJL-CQSZACIVSA-N -1 1 399.461 1.786 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCCc2cccc(F)c2F)cc1-c1nn[n-]n1 ZINC000737187334 598780107 /nfs/dbraw/zinc/78/01/07/598780107.db2.gz QKZFLGQPQQAGBM-UHFFFAOYSA-N -1 1 392.391 1.940 20 0 GDADMM O=C(C1=COCC1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000737782262 598808898 /nfs/dbraw/zinc/80/88/98/598808898.db2.gz MKWMVKAYUMJKMI-UHFFFAOYSA-N -1 1 383.368 1.068 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCC2(C1)CCOCC2 ZINC000823607787 599328028 /nfs/dbraw/zinc/32/80/28/599328028.db2.gz WZFVWACMEMUDAZ-UHFFFAOYSA-N -1 1 383.861 1.711 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCC2(C1)CCOCC2 ZINC000823607787 599328030 /nfs/dbraw/zinc/32/80/30/599328030.db2.gz WZFVWACMEMUDAZ-UHFFFAOYSA-N -1 1 383.861 1.711 20 0 GDADMM NC(=O)CC[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000822864810 599343209 /nfs/dbraw/zinc/34/32/09/599343209.db2.gz MAHWOVVYRBNHGE-SNVBAGLBSA-N -1 1 398.876 1.186 20 0 GDADMM CCC(CC)c1cc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)on1 ZINC000820898356 599355354 /nfs/dbraw/zinc/35/53/54/599355354.db2.gz ZVSWLILWSSEJAH-UHFFFAOYSA-N -1 1 377.430 1.632 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCCC2(CCOCC2)C1 ZINC000823600971 599355749 /nfs/dbraw/zinc/35/57/49/599355749.db2.gz NHHHQIJFWKQQAM-UHFFFAOYSA-N -1 1 381.433 1.587 20 0 GDADMM C[C@@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)Oc1ccccc1Cl ZINC000820276594 599362577 /nfs/dbraw/zinc/36/25/77/599362577.db2.gz XWGAOCFBSRZCLL-JTQLQIEISA-N -1 1 394.844 1.661 20 0 GDADMM C[C@@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)Oc1ccccc1Cl ZINC000820276594 599362579 /nfs/dbraw/zinc/36/25/79/599362579.db2.gz XWGAOCFBSRZCLL-JTQLQIEISA-N -1 1 394.844 1.661 20 0 GDADMM NC(=O)[C@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737745360 599371052 /nfs/dbraw/zinc/37/10/52/599371052.db2.gz XDBNAINOSGWCFK-SNVBAGLBSA-N -1 1 397.342 1.700 20 0 GDADMM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc(-n2ccnc2)c1 ZINC000820444084 599373847 /nfs/dbraw/zinc/37/38/47/599373847.db2.gz FPTMKHWGZQXIAN-LBPRGKRZSA-N -1 1 396.436 1.487 20 0 GDADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc(-n2ccnc2)c1 ZINC000820444084 599373849 /nfs/dbraw/zinc/37/38/49/599373849.db2.gz FPTMKHWGZQXIAN-LBPRGKRZSA-N -1 1 396.436 1.487 20 0 GDADMM O=C(Nc1ccc2c(c1)OCO2)C1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000738173216 599401127 /nfs/dbraw/zinc/40/11/27/599401127.db2.gz DOAPEWSYNUTETP-UHFFFAOYSA-N -1 1 393.407 1.846 20 0 GDADMM O=C(Nc1ccc2c(c1)OCO2)C1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000738173216 599401129 /nfs/dbraw/zinc/40/11/29/599401129.db2.gz DOAPEWSYNUTETP-UHFFFAOYSA-N -1 1 393.407 1.846 20 0 GDADMM COc1cccc(C(=O)N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)c1OC ZINC000737120555 599419776 /nfs/dbraw/zinc/41/97/76/599419776.db2.gz DVGJSWOCYFIUKH-UHFFFAOYSA-N -1 1 395.423 1.241 20 0 GDADMM COc1cccc(C(=O)N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)c1OC ZINC000737120555 599419781 /nfs/dbraw/zinc/41/97/81/599419781.db2.gz DVGJSWOCYFIUKH-UHFFFAOYSA-N -1 1 395.423 1.241 20 0 GDADMM COC(=O)c1ccc(N2CCN(c3cccc(-c4nnn[n-]4)n3)[C@H](C)C2)cc1 ZINC000736948939 599421981 /nfs/dbraw/zinc/42/19/81/599421981.db2.gz YPGSJTXNGDJOSR-CYBMUJFWSA-N -1 1 379.424 1.763 20 0 GDADMM COC(=O)c1ccc(N2CCN(c3cccc(-c4nn[n-]n4)n3)[C@H](C)C2)cc1 ZINC000736948939 599421982 /nfs/dbraw/zinc/42/19/82/599421982.db2.gz YPGSJTXNGDJOSR-CYBMUJFWSA-N -1 1 379.424 1.763 20 0 GDADMM CCc1nn(C)c(Cl)c1CN1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000736706887 599431260 /nfs/dbraw/zinc/43/12/60/599431260.db2.gz ZPGUYFCBFBKVNA-UHFFFAOYSA-N -1 1 387.879 1.533 20 0 GDADMM O=C1C[C@@H](c2cccc([N-]S(=O)(=O)c3cccc(-c4nn[nH]n4)c3)c2)CN1 ZINC000823520344 607377830 /nfs/dbraw/zinc/37/78/30/607377830.db2.gz LWBMEOUFGHQMDE-CYBMUJFWSA-N -1 1 384.421 1.271 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@@](C)(O)c1ccco1 ZINC000822005673 599450428 /nfs/dbraw/zinc/45/04/28/599450428.db2.gz UCNDIZQHNPHHIZ-GOSISDBHSA-N -1 1 386.412 1.134 20 0 GDADMM Cc1cccc([C@H]2CCCN2c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)c1C ZINC000822299853 599577729 /nfs/dbraw/zinc/57/77/29/599577729.db2.gz XBQOBRJOXZJEOB-CQSZACIVSA-N -1 1 381.440 1.222 20 0 GDADMM C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000736289399 599592982 /nfs/dbraw/zinc/59/29/82/599592982.db2.gz LIHSZOVUWOWFLV-BDAKNGLRSA-N -1 1 391.375 1.683 20 0 GDADMM C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)[C@@H](C)CO1 ZINC000736289401 599593438 /nfs/dbraw/zinc/59/34/38/599593438.db2.gz LIHSZOVUWOWFLV-DTWKUNHWSA-N -1 1 391.375 1.683 20 0 GDADMM O=S(=O)(Oc1cccc(-n2cccn2)c1)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738339942 599596613 /nfs/dbraw/zinc/59/66/13/599596613.db2.gz RIPQXGAFGVOTBY-UHFFFAOYSA-N -1 1 386.368 1.959 20 0 GDADMM Cc1oc(NC(=O)COC(=O)CCNC(=O)CC(C)C)c(-c2nn[n-]n2)c1C ZINC000822548575 599664796 /nfs/dbraw/zinc/66/47/96/599664796.db2.gz MJAYHYQEMZWGNT-UHFFFAOYSA-N -1 1 392.416 1.111 20 0 GDADMM O=C([O-])Nc1cc(NC(=O)C(=O)N2CCN(C3CCCC3)CC2)ccc1F ZINC000740002952 599724053 /nfs/dbraw/zinc/72/40/53/599724053.db2.gz 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/nfs/dbraw/zinc/57/67/05/607576705.db2.gz JENYSLUUJFCZEI-GFCCVEGCSA-N -1 1 383.405 1.112 20 0 GDADMM CCOC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825499729 607576893 /nfs/dbraw/zinc/57/68/93/607576893.db2.gz SNBLMAXZNYLQSU-LLVKDONJSA-N -1 1 383.405 1.112 20 0 GDADMM CCOC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825499729 607576895 /nfs/dbraw/zinc/57/68/95/607576895.db2.gz SNBLMAXZNYLQSU-LLVKDONJSA-N -1 1 383.405 1.112 20 0 GDADMM Cc1cccc(OCCNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000826300057 607579011 /nfs/dbraw/zinc/57/90/11/607579011.db2.gz GQSBIVFUDAMQLR-UHFFFAOYSA-N -1 1 377.401 1.672 20 0 GDADMM CN1CCN(c2cc(C(=O)N(C3CC3)C3CCN(C(=O)[O-])CC3)ccn2)CC1 ZINC000739737234 602710516 /nfs/dbraw/zinc/71/05/16/602710516.db2.gz WBEMKBUYBGPQAM-UHFFFAOYSA-N -1 1 387.484 1.580 20 0 GDADMM O=S(=O)(NCCOc1ccc(F)cc1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826491668 607584506 /nfs/dbraw/zinc/58/45/06/607584506.db2.gz UUHOFAISLYGISD-UHFFFAOYSA-N -1 1 381.364 1.502 20 0 GDADMM C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739171379 602774531 /nfs/dbraw/zinc/77/45/31/602774531.db2.gz BWEQBJTXFQKAJE-OAGGEKHMSA-N -1 1 390.484 1.407 20 0 GDADMM CC(C)[C@H](CNC(=O)CCn1c(=O)c2ccccc2[nH]c1=S)NC(=O)[O-] ZINC000738778336 602778498 /nfs/dbraw/zinc/77/84/98/602778498.db2.gz QTDDCKXCPKOEMX-ZDUSSCGKSA-N -1 1 378.454 1.484 20 0 GDADMM CC(C)[C@H](CNC(=O)N[C@@H](CN1CCN(C)CC1)c1ccccc1)NC(=O)[O-] ZINC000738786566 602833879 /nfs/dbraw/zinc/83/38/79/602833879.db2.gz KYVBTUNBDFCWLL-ROUUACIJSA-N -1 1 391.516 1.567 20 0 GDADMM COC(=O)C1CC[NH+](CCCNC(=O)c2ccc(NC(=O)[O-])cc2[O-])CC1 ZINC000739757433 602848734 /nfs/dbraw/zinc/84/87/34/602848734.db2.gz XJWXPHQWQAKUIK-UHFFFAOYSA-N -1 1 379.413 1.487 20 0 GDADMM Cc1ccc2nc(CNS(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)cn2c1 ZINC000826295691 607593961 /nfs/dbraw/zinc/59/39/61/607593961.db2.gz UCRXXIFKVZQWFD-UHFFFAOYSA-N -1 1 387.400 1.440 20 0 GDADMM Cc1ccc2nc(CNS(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)cn2c1 ZINC000826295691 607593962 /nfs/dbraw/zinc/59/39/62/607593962.db2.gz UCRXXIFKVZQWFD-UHFFFAOYSA-N -1 1 387.400 1.440 20 0 GDADMM CCC(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000825034043 607593981 /nfs/dbraw/zinc/59/39/81/607593981.db2.gz DBGCHMFBGFPAPS-UHFFFAOYSA-N -1 1 398.876 1.153 20 0 GDADMM Cc1ccccc1OCCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826307516 607594993 /nfs/dbraw/zinc/59/49/93/607594993.db2.gz LGALZKBLQPWGGV-UHFFFAOYSA-N -1 1 377.401 1.672 20 0 GDADMM CC(C)(CC(=O)Nc1ccc2nc(CCN3CCOCC3)[nH]c2c1)NC(=O)[O-] ZINC000738736353 603038061 /nfs/dbraw/zinc/03/80/61/603038061.db2.gz ZOTKKUYNENEJOB-UHFFFAOYSA-N -1 1 389.456 1.812 20 0 GDADMM Cc1c(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cnn1-c1cc(C)ccc1C ZINC000826284260 607602671 /nfs/dbraw/zinc/60/26/71/607602671.db2.gz OEAQZVNZEVTLGW-UHFFFAOYSA-N -1 1 378.400 1.208 20 0 GDADMM CC(C)[C@](C)(CNC(=O)[O-])NC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000738767366 603058699 /nfs/dbraw/zinc/05/86/99/603058699.db2.gz PUULOPMDLVYSAR-KRWDZBQOSA-N -1 1 378.454 1.634 20 0 GDADMM Cc1ccnc2nc(C(=O)Nc3ccc(-c4nc(CNC(=O)[O-])n[nH]4)cc3)nn21 ZINC000740197143 603059029 /nfs/dbraw/zinc/05/90/29/603059029.db2.gz ZUUGIMAOKHYUBN-UHFFFAOYSA-N -1 1 393.367 1.238 20 0 GDADMM Cc1ccnc2nc(C(=O)Nc3ccc(-c4n[nH]c(CNC(=O)[O-])n4)cc3)nn21 ZINC000740197143 603059035 /nfs/dbraw/zinc/05/90/35/603059035.db2.gz ZUUGIMAOKHYUBN-UHFFFAOYSA-N -1 1 393.367 1.238 20 0 GDADMM CCc1nnc([C@@H]2CN(C(=O)[C@H](C)[C@H](NC(=O)[O-])c3ccccc3)CCO2)[nH]1 ZINC000827620065 603075862 /nfs/dbraw/zinc/07/58/62/603075862.db2.gz DLMLZJSJAXCDMH-INWMFGNUSA-N -1 1 387.440 1.912 20 0 GDADMM CC(C)(C)c1n[nH]c([C@@H]2CN(C(=O)[C@H]3CCC[C@@H](NC(=O)[O-])C3)CCO2)n1 ZINC000823864931 603078596 /nfs/dbraw/zinc/07/85/96/603078596.db2.gz RMSDLEQFIVEUDQ-XQQFMLRXSA-N -1 1 379.461 1.829 20 0 GDADMM CC(C)(C)c1nnc([C@@H]2CN(C(=O)[C@H]3CCC[C@@H](NC(=O)[O-])C3)CCO2)[nH]1 ZINC000823864931 603078602 /nfs/dbraw/zinc/07/86/02/603078602.db2.gz RMSDLEQFIVEUDQ-XQQFMLRXSA-N -1 1 379.461 1.829 20 0 GDADMM CCOc1ccccc1CCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825654034 607606605 /nfs/dbraw/zinc/60/66/05/607606605.db2.gz MXPAJMWFQPWIDZ-UHFFFAOYSA-N -1 1 391.428 1.926 20 0 GDADMM C[C@H](CNC(=O)C1(c2ccccc2)CCN(C(=O)[O-])CC1)N1CCN(C)CC1 ZINC000738916305 603117599 /nfs/dbraw/zinc/11/75/99/603117599.db2.gz PPTDEXPJFKCKOU-QGZVFWFLSA-N -1 1 388.512 1.450 20 0 GDADMM C[C@H]1CN(C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)CC[C@H]1NC(=O)[O-] ZINC000739150534 603126787 /nfs/dbraw/zinc/12/67/87/603126787.db2.gz WZUOJGBUJNBXLG-GXFFZTMASA-N -1 1 376.392 1.798 20 0 GDADMM C[C@H]1CN(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)CC[C@H]1NC(=O)[O-] ZINC000739150534 603126788 /nfs/dbraw/zinc/12/67/88/603126788.db2.gz WZUOJGBUJNBXLG-GXFFZTMASA-N -1 1 376.392 1.798 20 0 GDADMM C[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)C(=O)Nc1ccccc1 ZINC000824640479 607612945 /nfs/dbraw/zinc/61/29/45/607612945.db2.gz JJHWCSGDPMBYLY-SNVBAGLBSA-N -1 1 390.400 1.311 20 0 GDADMM CN(CCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)CC(F)(F)F ZINC000825942056 607613525 /nfs/dbraw/zinc/61/35/25/607613525.db2.gz ULWALWQNMVYRIE-UHFFFAOYSA-N -1 1 398.798 1.293 20 0 GDADMM CN(CCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)CC(F)(F)F ZINC000825942056 607613527 /nfs/dbraw/zinc/61/35/27/607613527.db2.gz ULWALWQNMVYRIE-UHFFFAOYSA-N -1 1 398.798 1.293 20 0 GDADMM CC(C)[C@H](NC(=O)[O-])C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 ZINC000824143065 603201348 /nfs/dbraw/zinc/20/13/48/603201348.db2.gz JMFJDPSHLWIFHK-KRWDZBQOSA-N -1 1 378.473 1.544 20 0 GDADMM COc1cccc(C[C@@H](C)NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000826215904 607615171 /nfs/dbraw/zinc/61/51/71/607615171.db2.gz BTHUFFUUZIWYNN-LLVKDONJSA-N -1 1 391.428 1.924 20 0 GDADMM O=S(=O)(NC[C@H]1OCCc2ccccc21)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826490928 607616054 /nfs/dbraw/zinc/61/60/54/607616054.db2.gz NAGOGVIRQGVDBC-OAHLLOKOSA-N -1 1 389.412 1.598 20 0 GDADMM O=C([O-])N1CC[C@H](CN2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)C1 ZINC000740499011 603338570 /nfs/dbraw/zinc/33/85/70/603338570.db2.gz JGGAIAABQVWFHO-UKRRQHHQSA-N -1 1 385.461 1.568 20 0 GDADMM CN(Cc1ccccc1NC(=O)NCC(C)(C)N1CCN(C)CC1)C(=O)[O-] ZINC000739734710 603339704 /nfs/dbraw/zinc/33/97/04/603339704.db2.gz LKQYVTUBJSCBID-UHFFFAOYSA-N -1 1 377.489 1.944 20 0 GDADMM CC(C)CN1CCO[C@H](CNC(=O)C(=O)Nc2ccc(NC(=O)[O-])cc2)C1 ZINC000738825325 603382015 /nfs/dbraw/zinc/38/20/15/603382015.db2.gz OXDJWRURBJBLOH-OAHLLOKOSA-N -1 1 378.429 1.188 20 0 GDADMM O=S(=O)(NC[C@H](O)c1ccc2ccccc2c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826489710 607625692 /nfs/dbraw/zinc/62/56/92/607625692.db2.gz XQKLWIRUVLIWPL-KRWDZBQOSA-N -1 1 396.432 1.427 20 0 GDADMM O=S(=O)(NC[C@H](O)c1ccc2ccccc2c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826489710 607625694 /nfs/dbraw/zinc/62/56/94/607625694.db2.gz XQKLWIRUVLIWPL-KRWDZBQOSA-N -1 1 396.432 1.427 20 0 GDADMM Cc1ccccc1CN1CCN(C(=O)CN2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)CC1 ZINC000740182158 603412924 /nfs/dbraw/zinc/41/29/24/603412924.db2.gz ASFCDRXYDAGZDN-PKOBYXMFSA-N -1 1 388.512 1.617 20 0 GDADMM C[C@H]1CN(CC(=O)N2CCN(c3ccccc3F)CC2)CC[C@@H]1NC(=O)[O-] ZINC000739168023 603415083 /nfs/dbraw/zinc/41/50/83/603415083.db2.gz CFEBJYNUPNOGBK-HOCLYGCPSA-N -1 1 378.448 1.452 20 0 GDADMM C[C@@H](O)c1ccc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000824707301 607627879 /nfs/dbraw/zinc/62/78/79/607627879.db2.gz PNWXCLRSGFJKSR-SNVBAGLBSA-N -1 1 377.401 1.538 20 0 GDADMM CN(C(=O)CCNC(=O)c1n[nH]c2ccccc21)C1CCC(NC(=O)[O-])CC1 ZINC000827759392 603481712 /nfs/dbraw/zinc/48/17/12/603481712.db2.gz RUUDCUHQOLFBFL-UHFFFAOYSA-N -1 1 387.440 1.720 20 0 GDADMM O=C(NCC1(CO)COC1)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826433536 607632997 /nfs/dbraw/zinc/63/29/97/607632997.db2.gz JTAGVOLPJWJDJJ-UHFFFAOYSA-N -1 1 399.382 1.537 20 0 GDADMM O=C(NCC1(CO)COC1)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826433536 607632998 /nfs/dbraw/zinc/63/29/98/607632998.db2.gz JTAGVOLPJWJDJJ-UHFFFAOYSA-N -1 1 399.382 1.537 20 0 GDADMM CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCC(CN(CC)C(=O)[O-])CC1 ZINC000827296178 603509219 /nfs/dbraw/zinc/50/92/19/603509219.db2.gz FEWBLTFWRHRUSD-INIZCTEOSA-N -1 1 383.489 1.643 20 0 GDADMM O=S(=O)(N[C@@H](CCO)C1CCCCC1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826487155 607634793 /nfs/dbraw/zinc/63/47/93/607634793.db2.gz FRDCEQCCRHPNPK-AWEZNQCLSA-N -1 1 383.449 1.615 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000826496252 607635568 /nfs/dbraw/zinc/63/55/68/607635568.db2.gz PUCHCYGFQXIWPH-LDYMZIIASA-N -1 1 395.338 1.082 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000826496252 607635570 /nfs/dbraw/zinc/63/55/70/607635570.db2.gz PUCHCYGFQXIWPH-LDYMZIIASA-N -1 1 395.338 1.082 20 0 GDADMM COc1cc2c(cc1OC)CN(C(=O)CN(C)CC(C)(C)CNC(=O)[O-])CC2 ZINC000829225565 603545499 /nfs/dbraw/zinc/54/54/99/603545499.db2.gz QVTFEODXMNDGGJ-UHFFFAOYSA-N -1 1 393.484 1.814 20 0 GDADMM CCC[C@H](C)NC(=O)[C@@H]1CCCN(CN2CC3(CN(C(=O)[O-])C3)CC2=O)C1 ZINC000826736155 603586406 /nfs/dbraw/zinc/58/64/06/603586406.db2.gz SFBZUSONMCNETE-LSDHHAIUSA-N -1 1 380.489 1.173 20 0 GDADMM C[C@@H](CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)CC1(C)OCCO1 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605266669 /nfs/dbraw/zinc/26/66/69/605266669.db2.gz VOOJQSBBSQLOSE-MRXNPFEDSA-N -1 1 387.402 1.927 20 0 GDADMM O=C(CO[C@H]1CCCN(C(=O)[O-])C1)NC1CCN(Cc2ccccn2)CC1 ZINC000831513043 605268557 /nfs/dbraw/zinc/26/85/57/605268557.db2.gz MTVVEIGRJGPTGZ-KRWDZBQOSA-N -1 1 376.457 1.321 20 0 GDADMM C[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)CCN1CCC(=O)[O-] ZINC000833617182 605276850 /nfs/dbraw/zinc/27/68/50/605276850.db2.gz BKOUQMJMLAKBJU-CABCVRRESA-N -1 1 383.489 1.783 20 0 GDADMM O=C([O-])N1CCC[C@@H](OCC(=O)N2CCC(CCN3CCOCC3)CC2)C1 ZINC000831995238 605285600 /nfs/dbraw/zinc/28/56/00/605285600.db2.gz AVLQQQWVVULREE-QGZVFWFLSA-N -1 1 383.489 1.106 20 0 GDADMM CC(=O)N1CC[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)[C@@H](C)C1 ZINC000823972440 607746085 /nfs/dbraw/zinc/74/60/85/607746085.db2.gz BCRBUDHCKMSMLF-CABZTGNLSA-N -1 1 398.876 1.055 20 0 GDADMM CC(=O)N1CC[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)[C@@H](C)C1 ZINC000823972440 607746086 /nfs/dbraw/zinc/74/60/86/607746086.db2.gz BCRBUDHCKMSMLF-CABZTGNLSA-N -1 1 398.876 1.055 20 0 GDADMM CC(=O)N1CC[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)[C@@H](C)C1 ZINC000823972441 607746145 /nfs/dbraw/zinc/74/61/45/607746145.db2.gz BCRBUDHCKMSMLF-JOYOIKCWSA-N -1 1 398.876 1.055 20 0 GDADMM CC(=O)N1CC[C@@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)[C@@H](C)C1 ZINC000823972441 607746146 /nfs/dbraw/zinc/74/61/46/607746146.db2.gz BCRBUDHCKMSMLF-JOYOIKCWSA-N -1 1 398.876 1.055 20 0 GDADMM CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1ccc(Br)c([O-])c1 ZINC000529750624 649956493 /nfs/dbraw/zinc/95/64/93/649956493.db2.gz FSJBKXUJHLMPIL-KRWDZBQOSA-N -1 1 399.285 1.500 20 0 GDADMM C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)c2cccnc2O1 ZINC000824991518 607747983 /nfs/dbraw/zinc/74/79/83/607747983.db2.gz BVKUCEKKIYSRFB-VIFPVBQESA-N -1 1 392.828 1.891 20 0 GDADMM CC[C@H]1CN(C(=O)c2ccc3c(c2)[nH]c(=S)n(C)c3=O)CC[C@@H]1NC(=O)[O-] ZINC000833849848 605343532 /nfs/dbraw/zinc/34/35/32/605343532.db2.gz HODFYSBXXMDVCE-GWCFXTLKSA-N -1 1 390.465 1.731 20 0 GDADMM CC[C@@H]1CN(C(=O)c2ccc(CN3CCN(C)CC3)cc2)CC[C@H]1NC(=O)[O-] ZINC000833851962 605348924 /nfs/dbraw/zinc/34/89/24/605348924.db2.gz VGABPQBVCYLPGJ-IEBWSBKVSA-N -1 1 388.512 1.942 20 0 GDADMM CC(C)[C@H](CNC(=O)N(C1CC1)[C@H]1CCN(C(=O)[O-])C1)N1CCN(C)CC1 ZINC000824111309 605373588 /nfs/dbraw/zinc/37/35/88/605373588.db2.gz SHSUPRCTXXAZKN-IRXDYDNUSA-N -1 1 381.521 1.185 20 0 GDADMM O=C([O-])N[C@H]1CCc2ncc(NS(=O)(=O)c3ccc4c(c3)OCO4)cc2C1 ZINC000834195032 605412399 /nfs/dbraw/zinc/41/23/99/605412399.db2.gz VTWZYGZZJHTMJP-NSHDSACASA-N -1 1 391.405 1.736 20 0 GDADMM O=C(NC[C@@H](O)[C@H]1CCCO1)c1ccc(I)c([O-])c1 ZINC000529769237 649958685 /nfs/dbraw/zinc/95/86/85/649958685.db2.gz NQLWXQRAGPBDEN-VXGBXAGGSA-N -1 1 377.178 1.267 20 0 GDADMM O=C(CN1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)[O-])C1)NC1CCCC1 ZINC000834006862 605517703 /nfs/dbraw/zinc/51/77/03/605517703.db2.gz DZNSLDGEUZRYKS-GDBMZVCRSA-N -1 1 380.489 1.016 20 0 GDADMM Cc1cc(S(=O)(=O)NCCNCc2ccc(NC(=O)[O-])nc2)c(C)s1 ZINC000830138080 605531131 /nfs/dbraw/zinc/53/11/31/605531131.db2.gz KICSUCMUUNNZIB-UHFFFAOYSA-N -1 1 384.483 1.918 20 0 GDADMM O=C([O-])N(CCNC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)C1CC1 ZINC000831685264 605606449 /nfs/dbraw/zinc/60/64/49/605606449.db2.gz MRYVMZONHVWRGG-AEFFLSMTSA-N -1 1 390.484 1.311 20 0 GDADMM O=C([O-])c1ccc(S(=O)(=O)N2CCC(CCCN3CCOCC3)CC2)o1 ZINC000833781331 605610022 /nfs/dbraw/zinc/61/00/22/605610022.db2.gz BIXBRKXANBAXMU-UHFFFAOYSA-N -1 1 386.470 1.491 20 0 GDADMM O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCC(O)(C(F)(F)F)CC1 ZINC000834250029 605615801 /nfs/dbraw/zinc/61/58/01/605615801.db2.gz GJZCQYLYCZHVFC-KBPBESRZSA-N -1 1 376.375 1.615 20 0 GDADMM CC(C)[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1nc(-c2nc[nH]n2)no1 ZINC000824198330 607767669 /nfs/dbraw/zinc/76/76/69/607767669.db2.gz BMLIKTDZZIQLST-SECBINFHSA-N -1 1 386.401 1.223 20 0 GDADMM CC(C)(CNC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO)NC(=O)[O-] ZINC000823930755 605646979 /nfs/dbraw/zinc/64/69/79/605646979.db2.gz NMOGQWQGLGVJFB-HOTGVXAUSA-N -1 1 378.473 1.215 20 0 GDADMM O=C([O-])N1CCC[C@@H](NC(=O)N2CCC(CCCN3CCOCC3)CC2)C1 ZINC000834098541 605760277 /nfs/dbraw/zinc/76/02/77/605760277.db2.gz MMXBZUQQJLIQHG-QGZVFWFLSA-N -1 1 382.505 1.663 20 0 GDADMM C[C@H](CNC(=O)[O-])CNC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000833807473 605823600 /nfs/dbraw/zinc/82/36/00/605823600.db2.gz KMXIOASIYKFEGE-USXIJHARSA-N -1 1 378.473 1.072 20 0 GDADMM CC(C)CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2C(=O)[O-])C1 ZINC000833489146 605882333 /nfs/dbraw/zinc/88/23/33/605882333.db2.gz WNPCVOHEWDLKCY-ZDUSSCGKSA-N -1 1 397.859 1.450 20 0 GDADMM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2CC(=O)NCc1ccc2c(c1)OCO2 ZINC000832234775 605941704 /nfs/dbraw/zinc/94/17/04/605941704.db2.gz KBCRTXPIPYABSX-GOOCMWNKSA-N -1 1 375.425 1.685 20 0 GDADMM O=C([O-])Nc1cnc(C(=O)N2CCC(CCCN3CCOCC3)CC2)cn1 ZINC000834276242 606065829 /nfs/dbraw/zinc/06/58/29/606065829.db2.gz NSLWNAVQWOZNAN-UHFFFAOYSA-N -1 1 377.445 1.531 20 0 GDADMM COc1ccc([C@@H]2CCCN2C(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1OC ZINC000821783172 606156715 /nfs/dbraw/zinc/15/67/15/606156715.db2.gz YEKFHWSCMWAMRL-ZDUSSCGKSA-N -1 1 398.427 1.986 20 0 GDADMM COc1ccc([C@@H]2CCCN2C(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1OC ZINC000821783172 606156717 /nfs/dbraw/zinc/15/67/17/606156717.db2.gz YEKFHWSCMWAMRL-ZDUSSCGKSA-N -1 1 398.427 1.986 20 0 GDADMM C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820253961 606159142 /nfs/dbraw/zinc/15/91/42/606159142.db2.gz LBKFVQXLPGBNDB-JTQLQIEISA-N -1 1 384.400 1.472 20 0 GDADMM C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820253961 606159144 /nfs/dbraw/zinc/15/91/44/606159144.db2.gz LBKFVQXLPGBNDB-JTQLQIEISA-N -1 1 384.400 1.472 20 0 GDADMM COc1ccc(Cl)cc1CN(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821823853 606162526 /nfs/dbraw/zinc/16/25/26/606162526.db2.gz DZAZYTPCCDYVMK-UHFFFAOYSA-N -1 1 376.808 1.926 20 0 GDADMM COc1ccc(Cl)cc1CN(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821823853 606162528 /nfs/dbraw/zinc/16/25/28/606162528.db2.gz DZAZYTPCCDYVMK-UHFFFAOYSA-N -1 1 376.808 1.926 20 0 GDADMM CN(CCOc1ccccc1Cl)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821604728 606165918 /nfs/dbraw/zinc/16/59/18/606165918.db2.gz CUALSAVWEMJDIX-UHFFFAOYSA-N -1 1 376.808 1.796 20 0 GDADMM CN(CCOc1ccccc1Cl)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821604728 606165919 /nfs/dbraw/zinc/16/59/19/606165919.db2.gz CUALSAVWEMJDIX-UHFFFAOYSA-N -1 1 376.808 1.796 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC(OCc3ccccc3)CC2)n1 ZINC000822609550 606167022 /nfs/dbraw/zinc/16/70/22/606167022.db2.gz PXMAFNRKWQPXEE-UHFFFAOYSA-N -1 1 382.428 1.813 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC(OCc3ccccc3)CC2)n1 ZINC000822609550 606167024 /nfs/dbraw/zinc/16/70/24/606167024.db2.gz PXMAFNRKWQPXEE-UHFFFAOYSA-N -1 1 382.428 1.813 20 0 GDADMM CC(C)N(C)C(=O)[C@@H](C)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000819855490 606177763 /nfs/dbraw/zinc/17/77/63/606177763.db2.gz DZUHOECNOFBWTH-GFCCVEGCSA-N -1 1 388.476 1.109 20 0 GDADMM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(-c4nn[nH]n4)cc3)ccc21 ZINC000641770046 606178082 /nfs/dbraw/zinc/17/80/82/606178082.db2.gz RPVUGBOCKDPDBX-UHFFFAOYSA-N -1 1 398.448 1.967 20 0 GDADMM O=C(COC(=O)[C@H]1CCCS1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000823018351 606191935 /nfs/dbraw/zinc/19/19/35/606191935.db2.gz LMQDVXOZAIRVHZ-CYBMUJFWSA-N -1 1 399.436 1.430 20 0 GDADMM O=C(COC(=O)[C@H]1CCCS1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000823018351 606191937 /nfs/dbraw/zinc/19/19/37/606191937.db2.gz LMQDVXOZAIRVHZ-CYBMUJFWSA-N -1 1 399.436 1.430 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)n1 ZINC000822609319 606195565 /nfs/dbraw/zinc/19/55/65/606195565.db2.gz MHSJPVQIGPDGLU-CMPLNLGQSA-N -1 1 388.457 1.782 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)n1 ZINC000822609319 606195567 /nfs/dbraw/zinc/19/55/67/606195567.db2.gz MHSJPVQIGPDGLU-CMPLNLGQSA-N -1 1 388.457 1.782 20 0 GDADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000821343301 606200160 /nfs/dbraw/zinc/20/01/60/606200160.db2.gz NRGDNJSHNBNFKO-SNVBAGLBSA-N -1 1 391.409 1.676 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCSC2(CCCCC2)C1 ZINC000823600393 606203085 /nfs/dbraw/zinc/20/30/85/606203085.db2.gz HBSAWHWSJQVFAY-UHFFFAOYSA-N -1 1 380.499 1.702 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCSC2(CCCCC2)C1 ZINC000823600393 606203087 /nfs/dbraw/zinc/20/30/87/606203087.db2.gz HBSAWHWSJQVFAY-UHFFFAOYSA-N -1 1 380.499 1.702 20 0 GDADMM COC(=O)/C(C)=C\COC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821638934 606226237 /nfs/dbraw/zinc/22/62/37/606226237.db2.gz LMLBVSOCQKRXDF-CLFYSBASSA-N -1 1 375.385 1.179 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@@]1(C)CCCC[C@@H]1O ZINC000822005879 606326715 /nfs/dbraw/zinc/32/67/15/606326715.db2.gz VGNCUYNFMWZFKG-IFXJQAMLSA-N -1 1 388.472 1.574 20 0 GDADMM CCN(CC)C(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(-c2nn[n-]n2)s1 ZINC000821170850 606395122 /nfs/dbraw/zinc/39/51/22/606395122.db2.gz XKBLLCTXVBHEBC-GFCCVEGCSA-N -1 1 377.499 1.589 20 0 GDADMM CO[C@]1(C)C[C@@H](N(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1(C)C ZINC000821679123 606432257 /nfs/dbraw/zinc/43/22/57/606432257.db2.gz XJZDBPHXBHMNSH-CZUORRHYSA-N -1 1 383.449 1.830 20 0 GDADMM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820563890 606463903 /nfs/dbraw/zinc/46/39/03/606463903.db2.gz WMVKBYCGGUGDSV-SECBINFHSA-N -1 1 393.860 1.760 20 0 GDADMM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820563890 606463905 /nfs/dbraw/zinc/46/39/05/606463905.db2.gz WMVKBYCGGUGDSV-SECBINFHSA-N -1 1 393.860 1.760 20 0 GDADMM Cc1ccc([C@@H]2CCCCN2c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1 ZINC000822233526 606476282 /nfs/dbraw/zinc/47/62/82/606476282.db2.gz QSGWOGNADSIGRU-AWEZNQCLSA-N -1 1 381.440 1.304 20 0 GDADMM Cc1cccc2c(=O)n(CC(=O)OCc3ccnc(-c4nnn[n-]4)c3)cnc12 ZINC000822332862 606517133 /nfs/dbraw/zinc/51/71/33/606517133.db2.gz UYDSDFMWZPQZRZ-UHFFFAOYSA-N -1 1 377.364 1.023 20 0 GDADMM Cc1cccc2c(=O)n(CC(=O)OCc3ccnc(-c4nn[n-]n4)c3)cnc12 ZINC000822332862 606517134 /nfs/dbraw/zinc/51/71/34/606517134.db2.gz UYDSDFMWZPQZRZ-UHFFFAOYSA-N -1 1 377.364 1.023 20 0 GDADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1NS(C)(=O)=O ZINC000820396811 606525593 /nfs/dbraw/zinc/52/55/93/606525593.db2.gz IHPBYWHZQYYHGF-VIFPVBQESA-N -1 1 392.466 1.791 20 0 GDADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1NS(C)(=O)=O ZINC000820396811 606525594 /nfs/dbraw/zinc/52/55/94/606525594.db2.gz IHPBYWHZQYYHGF-VIFPVBQESA-N -1 1 392.466 1.791 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000822535428 606546653 /nfs/dbraw/zinc/54/66/53/606546653.db2.gz QZSCIEZWKHWAGD-LBPRGKRZSA-N -1 1 397.439 1.688 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000822535428 606546655 /nfs/dbraw/zinc/54/66/55/606546655.db2.gz QZSCIEZWKHWAGD-LBPRGKRZSA-N -1 1 397.439 1.688 20 0 GDADMM NC(=O)c1ccn(-c2ccccc2NC(=O)c2ccc(-c3nnn[n-]3)s2)n1 ZINC000822890000 606562761 /nfs/dbraw/zinc/56/27/61/606562761.db2.gz KKQANTAHKLGCTO-UHFFFAOYSA-N -1 1 380.393 1.465 20 0 GDADMM NC(=O)c1ccn(-c2ccccc2NC(=O)c2ccc(-c3nn[n-]n3)s2)n1 ZINC000822890000 606562762 /nfs/dbraw/zinc/56/27/62/606562762.db2.gz KKQANTAHKLGCTO-UHFFFAOYSA-N -1 1 380.393 1.465 20 0 GDADMM C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820262792 606566346 /nfs/dbraw/zinc/56/63/46/606566346.db2.gz ZEDXAEBBWQPBMZ-ZDUSSCGKSA-N -1 1 398.496 1.264 20 0 GDADMM NC(=O)c1c[nH]c(C(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)c1 ZINC000822880558 606569687 /nfs/dbraw/zinc/56/96/87/606569687.db2.gz RRVPRTMITCBGIU-UHFFFAOYSA-N -1 1 393.432 1.952 20 0 GDADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1nc(Cc2ccccc2)no1 ZINC000820380103 606578997 /nfs/dbraw/zinc/57/89/97/606578997.db2.gz LGLZLSFOBKLJED-SNVBAGLBSA-N -1 1 394.399 1.457 20 0 GDADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1nc(Cc2ccccc2)no1 ZINC000820380103 606578999 /nfs/dbraw/zinc/57/89/99/606578999.db2.gz LGLZLSFOBKLJED-SNVBAGLBSA-N -1 1 394.399 1.457 20 0 GDADMM CCCCC[C@H](NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)C(=O)OC ZINC000821048325 606584722 /nfs/dbraw/zinc/58/47/22/606584722.db2.gz AIGAEJVPWOPVHN-NSHDSACASA-N -1 1 394.457 1.541 20 0 GDADMM COC(=O)COc1c(C)cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1C ZINC000821662417 606585342 /nfs/dbraw/zinc/58/53/42/606585342.db2.gz BENJHFQGRYOYOI-UHFFFAOYSA-N -1 1 397.391 1.993 20 0 GDADMM O=C(CCc1ccoc1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000822983573 606606651 /nfs/dbraw/zinc/60/66/51/606606651.db2.gz QOVPFYXBDRUINT-UHFFFAOYSA-N -1 1 383.412 1.607 20 0 GDADMM Cc1cc(=O)c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)nn1-c1ccccc1 ZINC000822162082 606651220 /nfs/dbraw/zinc/65/12/20/606651220.db2.gz XSDGWUQKYHGGLV-UHFFFAOYSA-N -1 1 389.375 1.473 20 0 GDADMM Cc1cc(=O)c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)nn1-c1ccccc1 ZINC000822162082 606651221 /nfs/dbraw/zinc/65/12/21/606651221.db2.gz XSDGWUQKYHGGLV-UHFFFAOYSA-N -1 1 389.375 1.473 20 0 GDADMM Cc1nnnn1[C@H](Cc1ccccc1)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822520368 606652076 /nfs/dbraw/zinc/65/20/76/606652076.db2.gz ZXHJXSDSASSXQT-MRXNPFEDSA-N -1 1 391.395 1.084 20 0 GDADMM Cc1nnnn1[C@H](Cc1ccccc1)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822520368 606652077 /nfs/dbraw/zinc/65/20/77/606652077.db2.gz ZXHJXSDSASSXQT-MRXNPFEDSA-N -1 1 391.395 1.084 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(-n2cnnn2)cc1Cl ZINC000823436081 606652349 /nfs/dbraw/zinc/65/23/49/606652349.db2.gz GECNKBCHOHSBLT-UHFFFAOYSA-N -1 1 383.759 1.248 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(-n2cnnn2)cc1Cl ZINC000823436081 606652350 /nfs/dbraw/zinc/65/23/50/606652350.db2.gz GECNKBCHOHSBLT-UHFFFAOYSA-N -1 1 383.759 1.248 20 0 GDADMM CC1(C)C[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c2ccccc2O1 ZINC000820589462 606737360 /nfs/dbraw/zinc/73/73/60/606737360.db2.gz GDXQJHVRNHXCNH-AWEZNQCLSA-N -1 1 386.437 1.842 20 0 GDADMM CC1(C)C[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c2ccccc2O1 ZINC000820589462 606737362 /nfs/dbraw/zinc/73/73/62/606737362.db2.gz GDXQJHVRNHXCNH-AWEZNQCLSA-N -1 1 386.437 1.842 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCO[C@H](c2cccs2)C1 ZINC000823605914 606739049 /nfs/dbraw/zinc/73/90/49/606739049.db2.gz CWWXMMSRXDJCQS-LBPRGKRZSA-N -1 1 395.441 1.830 20 0 GDADMM O=C([O-])c1cc(F)ccc1NS(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1 ZINC000823387498 606764149 /nfs/dbraw/zinc/76/41/49/606764149.db2.gz MXNNAMJTYVKWJS-UHFFFAOYSA-N -1 1 381.320 1.644 20 0 GDADMM COc1cccc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1 ZINC000821871608 606767890 /nfs/dbraw/zinc/76/78/90/606767890.db2.gz BJAKHMGBJIFTRG-GFCCVEGCSA-N -1 1 395.427 1.408 20 0 GDADMM COc1cccc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1 ZINC000821871608 606767892 /nfs/dbraw/zinc/76/78/92/606767892.db2.gz BJAKHMGBJIFTRG-GFCCVEGCSA-N -1 1 395.427 1.408 20 0 GDADMM Cc1nc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)oc1C ZINC000822449560 606768647 /nfs/dbraw/zinc/76/86/47/606768647.db2.gz DNOUZZNGUUFSFZ-VIFPVBQESA-N -1 1 384.404 1.004 20 0 GDADMM Cc1nc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)oc1C ZINC000822449560 606768648 /nfs/dbraw/zinc/76/86/48/606768648.db2.gz DNOUZZNGUUFSFZ-VIFPVBQESA-N -1 1 384.404 1.004 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1noc2c1CCCC2 ZINC000820804693 606783275 /nfs/dbraw/zinc/78/32/75/606783275.db2.gz XPXMMCVKGRTMHG-GFCCVEGCSA-N -1 1 381.444 1.234 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1noc2c1CCCC2 ZINC000820804693 606783277 /nfs/dbraw/zinc/78/32/77/606783277.db2.gz XPXMMCVKGRTMHG-GFCCVEGCSA-N -1 1 381.444 1.234 20 0 GDADMM C[C@@H](NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1cccs1 ZINC000820351769 606786871 /nfs/dbraw/zinc/78/68/71/606786871.db2.gz RGTSRNXWNVNONO-VXGBXAGGSA-N -1 1 399.484 1.700 20 0 GDADMM C[C@@H](NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1cccs1 ZINC000820351769 606786873 /nfs/dbraw/zinc/78/68/73/606786873.db2.gz RGTSRNXWNVNONO-VXGBXAGGSA-N -1 1 399.484 1.700 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCCC(C)(C)C ZINC000820788246 606792229 /nfs/dbraw/zinc/79/22/29/606792229.db2.gz BQFZNFWDAFBTEF-ZDUSSCGKSA-N -1 1 387.492 1.703 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCCC(C)(C)C ZINC000820788246 606792231 /nfs/dbraw/zinc/79/22/31/606792231.db2.gz BQFZNFWDAFBTEF-ZDUSSCGKSA-N -1 1 387.492 1.703 20 0 GDADMM C[C@H]1CC(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)C[C@H](C)C1 ZINC000820649379 606792492 /nfs/dbraw/zinc/79/24/92/606792492.db2.gz LHEKHFISUUKWFX-MCIONIFRSA-N -1 1 399.503 1.702 20 0 GDADMM C[C@H]1CC(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)C[C@H](C)C1 ZINC000820649379 606792494 /nfs/dbraw/zinc/79/24/94/606792494.db2.gz LHEKHFISUUKWFX-MCIONIFRSA-N -1 1 399.503 1.702 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N[C@@H]1CCCC1(C)C ZINC000820789121 606794419 /nfs/dbraw/zinc/79/44/19/606794419.db2.gz VWUYEMIPFMSDRD-QWHCGFSZSA-N -1 1 385.476 1.456 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N[C@@H]1CCCC1(C)C ZINC000820789121 606794421 /nfs/dbraw/zinc/79/44/21/606794421.db2.gz VWUYEMIPFMSDRD-QWHCGFSZSA-N -1 1 385.476 1.456 20 0 GDADMM C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000820733868 606805504 /nfs/dbraw/zinc/80/55/04/606805504.db2.gz JPGCWMSBOSDBPL-RISCZKNCSA-N -1 1 378.440 1.869 20 0 GDADMM C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000820733868 606805505 /nfs/dbraw/zinc/80/55/05/606805505.db2.gz JPGCWMSBOSDBPL-RISCZKNCSA-N -1 1 378.440 1.869 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N(Cc2ccccc2)CC2(O)CCCC2)n1 ZINC000822604827 606806540 /nfs/dbraw/zinc/80/65/40/606806540.db2.gz MEHSCMFPYSFXHY-UHFFFAOYSA-N -1 1 396.455 1.939 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N(Cc2ccccc2)CC2(O)CCCC2)n1 ZINC000822604827 606806541 /nfs/dbraw/zinc/80/65/41/606806541.db2.gz MEHSCMFPYSFXHY-UHFFFAOYSA-N -1 1 396.455 1.939 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1c(F)c(F)nc(F)c1F ZINC000820803795 606806694 /nfs/dbraw/zinc/80/66/94/606806694.db2.gz HHZYVGMLPJLBOD-ZETCQYMHSA-N -1 1 395.324 1.323 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1c(F)c(F)nc(F)c1F ZINC000820803795 606806695 /nfs/dbraw/zinc/80/66/95/606806695.db2.gz HHZYVGMLPJLBOD-ZETCQYMHSA-N -1 1 395.324 1.323 20 0 GDADMM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNc1snc(Cl)c1-c1nnn[n-]1 ZINC000821932418 606808039 /nfs/dbraw/zinc/80/80/39/606808039.db2.gz LYPXKHVZRDOETM-RNFRBKRXSA-N -1 1 377.883 1.106 20 0 GDADMM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNc1snc(Cl)c1-c1nn[n-]n1 ZINC000821932418 606808040 /nfs/dbraw/zinc/80/80/40/606808040.db2.gz LYPXKHVZRDOETM-RNFRBKRXSA-N -1 1 377.883 1.106 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CC1CCSCC1 ZINC000820778031 606808930 /nfs/dbraw/zinc/80/89/30/606808930.db2.gz URLFOMUVHKPJBR-GFCCVEGCSA-N -1 1 388.501 1.227 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CC1CCSCC1 ZINC000820778031 606808932 /nfs/dbraw/zinc/80/89/32/606808932.db2.gz URLFOMUVHKPJBR-GFCCVEGCSA-N -1 1 388.501 1.227 20 0 GDADMM CCc1ncc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)s1 ZINC000821518527 606820941 /nfs/dbraw/zinc/82/09/41/606820941.db2.gz YSNAKEBUGNXVJI-JTQLQIEISA-N -1 1 385.457 1.027 20 0 GDADMM CCc1ncc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)s1 ZINC000821518527 606820943 /nfs/dbraw/zinc/82/09/43/606820943.db2.gz YSNAKEBUGNXVJI-JTQLQIEISA-N -1 1 385.457 1.027 20 0 GDADMM C[C@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1cccs1 ZINC000819857626 606821214 /nfs/dbraw/zinc/82/12/14/606821214.db2.gz SZAGKJSDDHCHDV-NEPJUHHUSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1cccs1 ZINC000819857626 606821216 /nfs/dbraw/zinc/82/12/16/606821216.db2.gz SZAGKJSDDHCHDV-NEPJUHHUSA-N -1 1 384.469 1.559 20 0 GDADMM Cc1ccccc1OCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000822366587 606822496 /nfs/dbraw/zinc/82/24/96/606822496.db2.gz OAFCHXMFWPXMPO-AWEZNQCLSA-N -1 1 394.439 1.081 20 0 GDADMM Cc1ccccc1OCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000822366587 606822498 /nfs/dbraw/zinc/82/24/98/606822498.db2.gz OAFCHXMFWPXMPO-AWEZNQCLSA-N -1 1 394.439 1.081 20 0 GDADMM Cc1ccc(CCC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cc1 ZINC000822234839 606824105 /nfs/dbraw/zinc/82/41/05/606824105.db2.gz JGYSZFMFUPAHHE-HNNXBMFYSA-N -1 1 392.467 1.635 20 0 GDADMM Cc1ccc(CCC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cc1 ZINC000822234839 606824106 /nfs/dbraw/zinc/82/41/06/606824106.db2.gz JGYSZFMFUPAHHE-HNNXBMFYSA-N -1 1 392.467 1.635 20 0 GDADMM C[C@@H]1CCC[C@H](CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)C1 ZINC000820696945 606824255 /nfs/dbraw/zinc/82/42/55/606824255.db2.gz DEOPHZAWPLMOQV-ILXRZTDVSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCC[C@H](CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)C1 ZINC000820696945 606824256 /nfs/dbraw/zinc/82/42/56/606824256.db2.gz DEOPHZAWPLMOQV-ILXRZTDVSA-N -1 1 384.488 1.910 20 0 GDADMM CCOc1ccccc1[C@H](CC)NC(=O)Cn1cccc(-c2nn[n-]n2)c1=O ZINC000821431397 606824940 /nfs/dbraw/zinc/82/49/40/606824940.db2.gz SQOUAIGVNQJSMV-HNNXBMFYSA-N -1 1 382.424 1.695 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCCc1ccccn1 ZINC000820777244 606829555 /nfs/dbraw/zinc/82/95/55/606829555.db2.gz QIQFTYSDCAFUSN-CQSZACIVSA-N -1 1 393.455 1.112 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCCc1ccccn1 ZINC000820777244 606829556 /nfs/dbraw/zinc/82/95/56/606829556.db2.gz QIQFTYSDCAFUSN-CQSZACIVSA-N -1 1 393.455 1.112 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NC[C@@H]1CC=CCC1 ZINC000820788273 606832652 /nfs/dbraw/zinc/83/26/52/606832652.db2.gz BXQPKOFOKJLDFQ-UONOGXRCSA-N -1 1 383.460 1.233 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NC[C@@H]1CC=CCC1 ZINC000820788273 606832654 /nfs/dbraw/zinc/83/26/54/606832654.db2.gz BXQPKOFOKJLDFQ-UONOGXRCSA-N -1 1 383.460 1.233 20 0 GDADMM C[C@@H]1CCC[C@H](CNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)C1 ZINC000820696767 606833020 /nfs/dbraw/zinc/83/30/20/606833020.db2.gz CDYFGQVCWXWYGK-ILXRZTDVSA-N -1 1 399.503 1.703 20 0 GDADMM C[C@@H]1CCC[C@H](CNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)C1 ZINC000820696767 606833021 /nfs/dbraw/zinc/83/30/21/606833021.db2.gz CDYFGQVCWXWYGK-ILXRZTDVSA-N -1 1 399.503 1.703 20 0 GDADMM Cc1nc(C2(NC(=O)Nc3nn(C)cc3-c3nnn[n-]3)CCCCCC2)no1 ZINC000822431871 606836125 /nfs/dbraw/zinc/83/61/25/606836125.db2.gz MZIWNNGYVZHRHC-UHFFFAOYSA-N -1 1 386.420 1.663 20 0 GDADMM Cc1nc(C2(NC(=O)Nc3nn(C)cc3-c3nn[n-]n3)CCCCCC2)no1 ZINC000822431871 606836127 /nfs/dbraw/zinc/83/61/27/606836127.db2.gz MZIWNNGYVZHRHC-UHFFFAOYSA-N -1 1 386.420 1.663 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCO[C@H](c2ccccc2)C1 ZINC000823607094 606841445 /nfs/dbraw/zinc/84/14/45/606841445.db2.gz QAZMHGQEMCCMCG-HNNXBMFYSA-N -1 1 389.412 1.768 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCOc2ccccc2C1 ZINC000823607140 606843502 /nfs/dbraw/zinc/84/35/02/606843502.db2.gz QRJOYPSYLKGUNO-UHFFFAOYSA-N -1 1 375.385 1.589 20 0 GDADMM CC[C@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)c1ccccc1 ZINC000820843384 606855089 /nfs/dbraw/zinc/85/50/89/606855089.db2.gz XHKDUHWJCJNJTD-HOCLYGCPSA-N -1 1 392.467 1.888 20 0 GDADMM CC[C@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)c1ccccc1 ZINC000820843384 606855090 /nfs/dbraw/zinc/85/50/90/606855090.db2.gz XHKDUHWJCJNJTD-HOCLYGCPSA-N -1 1 392.467 1.888 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)OC[C@H]2COC(=O)O2)c1-c1nnn[n-]1 ZINC000821988679 606944717 /nfs/dbraw/zinc/94/47/17/606944717.db2.gz GJEAGXFQFXVLNT-QMMMGPOBSA-N -1 1 377.382 1.553 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)OC[C@H]2COC(=O)O2)c1-c1nn[n-]n1 ZINC000821988679 606944718 /nfs/dbraw/zinc/94/47/18/606944718.db2.gz GJEAGXFQFXVLNT-QMMMGPOBSA-N -1 1 377.382 1.553 20 0 GDADMM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000736592273 607005051 /nfs/dbraw/zinc/00/50/51/607005051.db2.gz BSWRFAVFDJNRJC-SNVBAGLBSA-N -1 1 399.860 1.484 20 0 GDADMM CCCCS(=O)(=O)N1CCC(C(=O)Nc2ncc(-c3nnn[n-]3)s2)CC1 ZINC000821077598 607023484 /nfs/dbraw/zinc/02/34/84/607023484.db2.gz MZYPVPJEYQYBRM-UHFFFAOYSA-N -1 1 399.502 1.104 20 0 GDADMM CCCCS(=O)(=O)N1CCC(C(=O)Nc2ncc(-c3nn[n-]n3)s2)CC1 ZINC000821077598 607023485 /nfs/dbraw/zinc/02/34/85/607023485.db2.gz MZYPVPJEYQYBRM-UHFFFAOYSA-N -1 1 399.502 1.104 20 0 GDADMM Cc1nn(C)cc1[C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822496212 607051591 /nfs/dbraw/zinc/05/15/91/607051591.db2.gz FFXFFCNUVULRLG-HNNXBMFYSA-N -1 1 391.432 1.574 20 0 GDADMM O=C(CCCOc1ccc2c(c1)OCO2)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822959279 607093206 /nfs/dbraw/zinc/09/32/06/607093206.db2.gz WPAGPBITCXIAKR-UHFFFAOYSA-N -1 1 383.364 1.893 20 0 GDADMM O=C(CCCOc1ccc2c(c1)OCO2)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822959279 607093207 /nfs/dbraw/zinc/09/32/07/607093207.db2.gz WPAGPBITCXIAKR-UHFFFAOYSA-N -1 1 383.364 1.893 20 0 GDADMM CC(C)CNC(=O)N1CCC[C@H](CC(=O)Nc2ncc(-c3nnn[n-]3)s2)C1 ZINC000820097707 607102969 /nfs/dbraw/zinc/10/29/69/607102969.db2.gz SIUZRQBIMAMVTC-LLVKDONJSA-N -1 1 392.489 1.729 20 0 GDADMM CC(C)CNC(=O)N1CCC[C@H](CC(=O)Nc2ncc(-c3nn[n-]n3)s2)C1 ZINC000820097707 607102971 /nfs/dbraw/zinc/10/29/71/607102971.db2.gz SIUZRQBIMAMVTC-LLVKDONJSA-N -1 1 392.489 1.729 20 0 GDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000823383465 607105677 /nfs/dbraw/zinc/10/56/77/607105677.db2.gz ROFYJRBIWDDZRF-UHFFFAOYSA-N -1 1 391.438 1.016 20 0 GDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000823383465 607105678 /nfs/dbraw/zinc/10/56/78/607105678.db2.gz ROFYJRBIWDDZRF-UHFFFAOYSA-N -1 1 391.438 1.016 20 0 GDADMM COc1ccccc1-c1nn(C)cc1C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000821877737 607106412 /nfs/dbraw/zinc/10/64/12/607106412.db2.gz SDHINXGPELJEBF-UHFFFAOYSA-N -1 1 382.409 1.985 20 0 GDADMM COc1ccccc1-c1nn(C)cc1C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000821877737 607106414 /nfs/dbraw/zinc/10/64/14/607106414.db2.gz SDHINXGPELJEBF-UHFFFAOYSA-N -1 1 382.409 1.985 20 0 GDADMM O=C(Cc1cccs1)N1CCC[C@@H]1C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000823380116 607110589 /nfs/dbraw/zinc/11/05/89/607110589.db2.gz QWXJWDAFDFSVSE-SNVBAGLBSA-N -1 1 389.466 1.557 20 0 GDADMM O=C(Cc1cccs1)N1CCC[C@@H]1C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000823380116 607110590 /nfs/dbraw/zinc/11/05/90/607110590.db2.gz QWXJWDAFDFSVSE-SNVBAGLBSA-N -1 1 389.466 1.557 20 0 GDADMM COCCC(=O)N1CCC(Nc2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000821686000 607130178 /nfs/dbraw/zinc/13/01/78/607130178.db2.gz XNZQRTWBPUHKBA-UHFFFAOYSA-N -1 1 381.440 1.854 20 0 GDADMM COCCC(=O)N1CCC(Nc2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000821686000 607130179 /nfs/dbraw/zinc/13/01/79/607130179.db2.gz XNZQRTWBPUHKBA-UHFFFAOYSA-N -1 1 381.440 1.854 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@@H](C)C[C@@H]1CCOC1 ZINC000822459152 607134840 /nfs/dbraw/zinc/13/48/40/607134840.db2.gz NPAJIQIFYVWXID-FZMZJTMJSA-N -1 1 398.471 1.390 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@@H](C)C[C@@H]1CCOC1 ZINC000822459152 607134841 /nfs/dbraw/zinc/13/48/41/607134841.db2.gz NPAJIQIFYVWXID-FZMZJTMJSA-N -1 1 398.471 1.390 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000823136410 607206523 /nfs/dbraw/zinc/20/65/23/607206523.db2.gz ZHHAZJMTEYADMK-UHFFFAOYSA-N -1 1 395.408 1.411 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cc(F)ccc1OCC(F)(F)F ZINC000823131441 607206664 /nfs/dbraw/zinc/20/66/64/607206664.db2.gz HLNPYZKWQDXDHY-UHFFFAOYSA-N -1 1 386.269 1.177 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(Sc2nncs2)cc1 ZINC000823136243 607209349 /nfs/dbraw/zinc/20/93/49/607209349.db2.gz QHQHCLQJVAGFAR-UHFFFAOYSA-N -1 1 386.426 1.100 20 0 GDADMM COc1ccc(C2(CNC(=O)Cn3cnc(-c4nn[n-]n4)n3)CCCCC2)cc1 ZINC000821782735 607210772 /nfs/dbraw/zinc/21/07/72/607210772.db2.gz MFBMPHCGLGVQGV-UHFFFAOYSA-N -1 1 396.455 1.485 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000823126381 607218009 /nfs/dbraw/zinc/21/80/09/607218009.db2.gz JSOULJPQAUYZPC-GFCCVEGCSA-N -1 1 390.860 1.428 20 0 GDADMM Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)Cn3cnc(-c4nn[n-]n4)n3)cc2)n1 ZINC000822197963 607219545 /nfs/dbraw/zinc/21/95/45/607219545.db2.gz WOCOOTDJIJVDDQ-CYBMUJFWSA-N -1 1 392.427 1.138 20 0 GDADMM Cc1c(COc2ccccc2)cccc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822034614 607221305 /nfs/dbraw/zinc/22/13/05/607221305.db2.gz IQVDDCHPJGVJJB-UHFFFAOYSA-N -1 1 390.407 1.984 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000823126300 607222466 /nfs/dbraw/zinc/22/24/66/607222466.db2.gz HIFBYNOWIFTMDW-UHFFFAOYSA-N -1 1 379.211 1.350 20 0 GDADMM Cc1ccc(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c(OCCC(C)C)c1 ZINC000822237528 607223140 /nfs/dbraw/zinc/22/31/40/607223140.db2.gz XYKTVJFXSIVMAB-UHFFFAOYSA-N -1 1 384.444 1.508 20 0 GDADMM CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000825203140 607802109 /nfs/dbraw/zinc/80/21/09/607802109.db2.gz MJGCHYITVLZHIZ-VXGBXAGGSA-N -1 1 376.486 1.941 20 0 GDADMM CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000825203140 607802110 /nfs/dbraw/zinc/80/21/10/607802110.db2.gz MJGCHYITVLZHIZ-VXGBXAGGSA-N -1 1 376.486 1.941 20 0 GDADMM O=S(=O)(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826488475 607818997 /nfs/dbraw/zinc/81/89/97/607818997.db2.gz RAPMMKYZLXQFIO-GDLCADMTSA-N -1 1 379.417 1.242 20 0 GDADMM O=S(=O)(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cccc(F)c1-c1nnn[n-]1 ZINC000826488517 607819769 /nfs/dbraw/zinc/81/97/69/607819769.db2.gz ROVXNXDGMMFXQF-FZZIBODNSA-N -1 1 379.417 1.242 20 0 GDADMM O=S(=O)(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cccc(F)c1-c1nn[n-]n1 ZINC000826488517 607819770 /nfs/dbraw/zinc/81/97/70/607819770.db2.gz ROVXNXDGMMFXQF-FZZIBODNSA-N -1 1 379.417 1.242 20 0 GDADMM CN(CCN1C(=O)c2ccccc2C1=O)c1snc(Cl)c1-c1nnn[n-]1 ZINC000825938730 607820696 /nfs/dbraw/zinc/82/06/96/607820696.db2.gz XWDVXMINYYWYTH-UHFFFAOYSA-N -1 1 389.828 1.709 20 0 GDADMM CN(CCN1C(=O)c2ccccc2C1=O)c1snc(Cl)c1-c1nn[n-]n1 ZINC000825938730 607820697 /nfs/dbraw/zinc/82/06/97/607820697.db2.gz XWDVXMINYYWYTH-UHFFFAOYSA-N -1 1 389.828 1.709 20 0 GDADMM O=S(=O)(CC[N@@H+]1CCC[C@@]2(CCCOC2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000826484881 607829445 /nfs/dbraw/zinc/82/94/45/607829445.db2.gz SSECPTRBUPNIKF-GOSISDBHSA-N -1 1 391.497 1.533 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CC[C@@H](C2CCOCC2)C1 ZINC000826494951 607853213 /nfs/dbraw/zinc/85/32/13/607853213.db2.gz WJNQXNINNIEYLG-GFCCVEGCSA-N -1 1 397.888 1.957 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CC[C@H](C2CCOCC2)C1 ZINC000826494952 607853424 /nfs/dbraw/zinc/85/34/24/607853424.db2.gz WJNQXNINNIEYLG-LBPRGKRZSA-N -1 1 397.888 1.957 20 0 GDADMM CC(C)(C)c1ccc(C(C)(C)CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000824136038 607910135 /nfs/dbraw/zinc/91/01/35/607910135.db2.gz MMUKUEVYSLQGEQ-UHFFFAOYSA-N -1 1 382.472 1.850 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCCCNC(=O)C(C)C ZINC000826341166 607915358 /nfs/dbraw/zinc/91/53/58/607915358.db2.gz YREWIFCYULVXNE-UHFFFAOYSA-N -1 1 385.428 1.451 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCCNC(=O)C(C)C ZINC000826341166 607915359 /nfs/dbraw/zinc/91/53/59/607915359.db2.gz YREWIFCYULVXNE-UHFFFAOYSA-N -1 1 385.428 1.451 20 0 GDADMM C[C@@H](CC(=O)c1ccccc1)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824392162 607970988 /nfs/dbraw/zinc/97/09/88/607970988.db2.gz MZFATTVQHLUMGB-NSHDSACASA-N -1 1 389.412 1.946 20 0 GDADMM COc1ccc([C@@H](CNc2ccc(-c3nnn[n-]3)nn2)N2CCOCC2)cc1 ZINC000826189230 607987839 /nfs/dbraw/zinc/98/78/39/607987839.db2.gz QLNSRFQYPFSAJJ-MRXNPFEDSA-N -1 1 382.428 1.151 20 0 GDADMM COc1ccc([C@@H](CNc2ccc(-c3nn[n-]n3)nn2)N2CCOCC2)cc1 ZINC000826189230 607987840 /nfs/dbraw/zinc/98/78/40/607987840.db2.gz QLNSRFQYPFSAJJ-MRXNPFEDSA-N -1 1 382.428 1.151 20 0 GDADMM FC(F)(F)c1cccc(CN2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)c1 ZINC000826369185 607988197 /nfs/dbraw/zinc/98/81/97/607988197.db2.gz RCEDGBCENLLEOM-UHFFFAOYSA-N -1 1 390.373 1.998 20 0 GDADMM FC(F)(F)c1cccc(CN2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)c1 ZINC000826369185 607988198 /nfs/dbraw/zinc/98/81/98/607988198.db2.gz RCEDGBCENLLEOM-UHFFFAOYSA-N -1 1 390.373 1.998 20 0 GDADMM CC(C)[C@H](NC(=O)Cn1ccnc1-c1nnn[n-]1)c1ccc2c(c1)OCCCO2 ZINC000824193224 608012634 /nfs/dbraw/zinc/01/26/34/608012634.db2.gz VIGIUEVWTDOCDK-KRWDZBQOSA-N -1 1 397.439 1.738 20 0 GDADMM CC(C)[C@H](NC(=O)Cn1ccnc1-c1nn[n-]n1)c1ccc2c(c1)OCCCO2 ZINC000824193224 608012635 /nfs/dbraw/zinc/01/26/35/608012635.db2.gz VIGIUEVWTDOCDK-KRWDZBQOSA-N -1 1 397.439 1.738 20 0 GDADMM O=S1(=O)CCCN1c1cc(NCc2ccc(-c3nnn[n-]3)o2)ccc1F ZINC000826496937 608027807 /nfs/dbraw/zinc/02/78/07/608027807.db2.gz OMWVTSDLCVYXFM-UHFFFAOYSA-N -1 1 378.389 1.751 20 0 GDADMM O=S1(=O)CCCN1c1cc(NCc2ccc(-c3nn[n-]n3)o2)ccc1F ZINC000826496937 608027808 /nfs/dbraw/zinc/02/78/08/608027808.db2.gz OMWVTSDLCVYXFM-UHFFFAOYSA-N -1 1 378.389 1.751 20 0 GDADMM COc1cccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1F ZINC000826213909 608071772 /nfs/dbraw/zinc/07/17/72/608071772.db2.gz RAJYYOSMXVXELT-NSHDSACASA-N -1 1 398.402 1.155 20 0 GDADMM COc1cccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1F ZINC000826213909 608071773 /nfs/dbraw/zinc/07/17/73/608071773.db2.gz RAJYYOSMXVXELT-NSHDSACASA-N -1 1 398.402 1.155 20 0 GDADMM Cc1cc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)ccc1C(=O)OC(C)(C)C ZINC000826269990 608072881 /nfs/dbraw/zinc/07/28/81/608072881.db2.gz GJUKEAXVUKNSSA-UHFFFAOYSA-N -1 1 384.400 1.361 20 0 GDADMM COc1ccc(C[C@H](C)CNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1OC ZINC000826191243 608103404 /nfs/dbraw/zinc/10/34/04/608103404.db2.gz ARGIVVSASHTGLG-LBPRGKRZSA-N -1 1 382.424 1.888 20 0 GDADMM COc1ccc(C[C@H](C)CNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1OC ZINC000826191243 608103405 /nfs/dbraw/zinc/10/34/05/608103405.db2.gz ARGIVVSASHTGLG-LBPRGKRZSA-N -1 1 382.424 1.888 20 0 GDADMM CCOC(=O)[C@@H](CCC(C)(C)C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825493375 608124602 /nfs/dbraw/zinc/12/46/02/608124602.db2.gz LDEAKCIKVMYRQO-CYBMUJFWSA-N -1 1 396.473 1.298 20 0 GDADMM CCOC(=O)[C@@H](CCC(C)(C)C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825493375 608124603 /nfs/dbraw/zinc/12/46/03/608124603.db2.gz LDEAKCIKVMYRQO-CYBMUJFWSA-N -1 1 396.473 1.298 20 0 GDADMM CCOC(=O)c1c(CC)c(C)sc1NC(=O)Cn1ccnc1-c1nnn[n-]1 ZINC000825559242 608148122 /nfs/dbraw/zinc/14/81/22/608148122.db2.gz FCSNBRFACDVIJH-UHFFFAOYSA-N -1 1 389.441 1.811 20 0 GDADMM CCOC(=O)c1c(CC)c(C)sc1NC(=O)Cn1ccnc1-c1nn[n-]n1 ZINC000825559242 608148124 /nfs/dbraw/zinc/14/81/24/608148124.db2.gz FCSNBRFACDVIJH-UHFFFAOYSA-N -1 1 389.441 1.811 20 0 GDADMM O=S(=O)(N[C@H]1CCO[C@@]2(CCOC2)C1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826489792 608159381 /nfs/dbraw/zinc/15/93/81/608159381.db2.gz ZTMMDCATSKYMOO-BONVTDFDSA-N -1 1 399.860 1.137 20 0 GDADMM O=S(=O)(N[C@H]1CCO[C@@]2(CCOC2)C1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826489792 608159382 /nfs/dbraw/zinc/15/93/82/608159382.db2.gz ZTMMDCATSKYMOO-BONVTDFDSA-N -1 1 399.860 1.137 20 0 GDADMM NC(=O)CSc1nnc(Sc2snc(Cl)c2-c2nnn[n-]2)s1 ZINC000826391267 608171817 /nfs/dbraw/zinc/17/18/17/608171817.db2.gz DDHGCZCQTRXWRT-UHFFFAOYSA-N -1 1 392.904 1.557 20 0 GDADMM NC(=O)CSc1nnc(Sc2snc(Cl)c2-c2nn[n-]n2)s1 ZINC000826391267 608171818 /nfs/dbraw/zinc/17/18/18/608171818.db2.gz DDHGCZCQTRXWRT-UHFFFAOYSA-N -1 1 392.904 1.557 20 0 GDADMM COc1cc(CNc2snc(Cl)c2-c2nnn[n-]2)ccc1OCC(N)=O ZINC000826179799 608177477 /nfs/dbraw/zinc/17/74/77/608177477.db2.gz FBMTZOPNJWFRTP-UHFFFAOYSA-N -1 1 395.832 1.461 20 0 GDADMM COc1cc(CNc2snc(Cl)c2-c2nn[n-]n2)ccc1OCC(N)=O ZINC000826179799 608177479 /nfs/dbraw/zinc/17/74/79/608177479.db2.gz FBMTZOPNJWFRTP-UHFFFAOYSA-N -1 1 395.832 1.461 20 0 GDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)Cc1cccc(OCc2cccnc2)c1 ZINC000826395192 608200612 /nfs/dbraw/zinc/20/06/12/608200612.db2.gz QOJBPGWPYSFKHP-UHFFFAOYSA-N -1 1 376.380 1.502 20 0 GDADMM CC[C@@H](OC1CCCC1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825153744 608210573 /nfs/dbraw/zinc/21/05/73/608210573.db2.gz JECFMDJILBYBCL-CYBMUJFWSA-N -1 1 376.465 1.301 20 0 GDADMM CC[C@@H](OC1CCCC1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825153744 608210574 /nfs/dbraw/zinc/21/05/74/608210574.db2.gz JECFMDJILBYBCL-CYBMUJFWSA-N -1 1 376.465 1.301 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCN2C(=O)CC[C@H]2C1 ZINC000826341057 608252003 /nfs/dbraw/zinc/25/20/03/608252003.db2.gz UZBGMLBEXURESI-LBPRGKRZSA-N -1 1 381.396 1.006 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCN2C(=O)CC[C@H]2C1 ZINC000826341057 608252005 /nfs/dbraw/zinc/25/20/05/608252005.db2.gz UZBGMLBEXURESI-LBPRGKRZSA-N -1 1 381.396 1.006 20 0 GDADMM Brc1ccccc1Cc1nnn(Cc2ccnc(-c3nnn[n-]3)c2)n1 ZINC000823832325 608265981 /nfs/dbraw/zinc/26/59/81/608265981.db2.gz MIWRNKFGJFEPSU-UHFFFAOYSA-N -1 1 398.228 1.650 20 0 GDADMM Brc1ccccc1Cc1nnn(Cc2ccnc(-c3nn[n-]n3)c2)n1 ZINC000823832325 608265983 /nfs/dbraw/zinc/26/59/83/608265983.db2.gz MIWRNKFGJFEPSU-UHFFFAOYSA-N -1 1 398.228 1.650 20 0 GDADMM Cn1cc([C@H](O)C[C@@H]2CCCN2c2snc(Cl)c2-c2nnn[n-]2)cn1 ZINC000826359461 608301916 /nfs/dbraw/zinc/30/19/16/608301916.db2.gz HYBICZQCWVYNQM-VHSXEESVSA-N -1 1 380.865 1.803 20 0 GDADMM Cn1cc([C@H](O)C[C@@H]2CCCN2c2snc(Cl)c2-c2nn[n-]n2)cn1 ZINC000826359461 608301918 /nfs/dbraw/zinc/30/19/18/608301918.db2.gz HYBICZQCWVYNQM-VHSXEESVSA-N -1 1 380.865 1.803 20 0 GDADMM CNC(=O)c1cc(Oc2cccc(Oc3nccnc3-c3nn[n-]n3)c2)ccn1 ZINC000826068354 608306412 /nfs/dbraw/zinc/30/64/12/608306412.db2.gz RKCNYJAJNNAHJS-UHFFFAOYSA-N -1 1 390.363 1.996 20 0 GDADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F)C(C)(C)C ZINC000825553456 608337535 /nfs/dbraw/zinc/33/75/35/608337535.db2.gz QKRBLWOPDSLMKL-CYBMUJFWSA-N -1 1 399.448 1.403 20 0 GDADMM C[C@H](c1ccccc1)N(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824770202 608340093 /nfs/dbraw/zinc/34/00/93/608340093.db2.gz GKRUDRXNJODDDU-GFCCVEGCSA-N -1 1 396.455 1.976 20 0 GDADMM C[C@H](c1ccccc1)N(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824770202 608340095 /nfs/dbraw/zinc/34/00/95/608340095.db2.gz GKRUDRXNJODDDU-GFCCVEGCSA-N -1 1 396.455 1.976 20 0 GDADMM Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)o1 ZINC000826283089 608341052 /nfs/dbraw/zinc/34/10/52/608341052.db2.gz KDCOJSMXTYKOFA-SNVBAGLBSA-N -1 1 386.416 1.536 20 0 GDADMM Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)o1 ZINC000826283089 608341055 /nfs/dbraw/zinc/34/10/55/608341055.db2.gz KDCOJSMXTYKOFA-SNVBAGLBSA-N -1 1 386.416 1.536 20 0 GDADMM COCCS(=O)(=O)CC(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000826163038 608347441 /nfs/dbraw/zinc/34/74/41/608347441.db2.gz DITXVOOXVNUGRV-UHFFFAOYSA-N -1 1 387.487 1.225 20 0 GDADMM COCCS(=O)(=O)CC(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000826163038 608347443 /nfs/dbraw/zinc/34/74/43/608347443.db2.gz DITXVOOXVNUGRV-UHFFFAOYSA-N -1 1 387.487 1.225 20 0 GDADMM C[C@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)c1cccc(O)c1 ZINC000824470047 608354075 /nfs/dbraw/zinc/35/40/75/608354075.db2.gz FHHACCICRXZDPX-JTQLQIEISA-N -1 1 398.427 1.340 20 0 GDADMM C[C@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)c1cccc(O)c1 ZINC000824470047 608354076 /nfs/dbraw/zinc/35/40/76/608354076.db2.gz FHHACCICRXZDPX-JTQLQIEISA-N -1 1 398.427 1.340 20 0 GDADMM CN(C[C@@H](O)COc1ccccc1C(F)(F)F)c1ccc(-c2nnn[n-]2)nn1 ZINC000825901720 608402940 /nfs/dbraw/zinc/40/29/40/608402940.db2.gz JXCPTCCIHJULGF-SNVBAGLBSA-N -1 1 395.345 1.552 20 0 GDADMM CN(C[C@@H](O)COc1ccccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)nn1 ZINC000825901720 608402942 /nfs/dbraw/zinc/40/29/42/608402942.db2.gz JXCPTCCIHJULGF-SNVBAGLBSA-N -1 1 395.345 1.552 20 0 GDADMM Cc1nc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)sc1C ZINC000826326988 608409036 /nfs/dbraw/zinc/40/90/36/608409036.db2.gz NKMCBJZJNRKGAA-UHFFFAOYSA-N -1 1 376.450 1.342 20 0 GDADMM Cc1nc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)sc1C ZINC000826326988 608409037 /nfs/dbraw/zinc/40/90/37/608409037.db2.gz NKMCBJZJNRKGAA-UHFFFAOYSA-N -1 1 376.450 1.342 20 0 GDADMM O=C(c1cccnc1)N1CCc2cc(Nc3ccc(-c4nnn[n-]4)nn3)ccc21 ZINC000826474962 608418733 /nfs/dbraw/zinc/41/87/33/608418733.db2.gz MPAJZZQYRNDEHD-UHFFFAOYSA-N -1 1 385.391 1.998 20 0 GDADMM O=C(c1cccnc1)N1CCc2cc(Nc3ccc(-c4nn[n-]n4)nn3)ccc21 ZINC000826474962 608418734 /nfs/dbraw/zinc/41/87/34/608418734.db2.gz MPAJZZQYRNDEHD-UHFFFAOYSA-N -1 1 385.391 1.998 20 0 GDADMM OC[C@H](c1ccc(Cl)cc1)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826508339 608419077 /nfs/dbraw/zinc/41/90/77/608419077.db2.gz MWKSAHLEYJWRJF-OAHLLOKOSA-N -1 1 386.847 1.166 20 0 GDADMM OC[C@H](c1ccc(Cl)cc1)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826508339 608419079 /nfs/dbraw/zinc/41/90/79/608419079.db2.gz MWKSAHLEYJWRJF-OAHLLOKOSA-N -1 1 386.847 1.166 20 0 GDADMM Cc1ccc2c(n1)OCCN2S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826293935 608425103 /nfs/dbraw/zinc/42/51/03/608425103.db2.gz FEVFXIPGPJJICT-UHFFFAOYSA-N -1 1 376.373 1.297 20 0 GDADMM Cc1ccc2c(n1)OCCN2S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826293935 608425104 /nfs/dbraw/zinc/42/51/04/608425104.db2.gz FEVFXIPGPJJICT-UHFFFAOYSA-N -1 1 376.373 1.297 20 0 GDADMM CC(=O)N(Cc1ncc(C(C)C)o1)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000823967029 608433945 /nfs/dbraw/zinc/43/39/45/608433945.db2.gz HBRJOEGFJQCADC-ZDUSSCGKSA-N -1 1 397.443 1.396 20 0 GDADMM CC(=O)N(Cc1ncc(C(C)C)o1)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000823967029 608433948 /nfs/dbraw/zinc/43/39/48/608433948.db2.gz HBRJOEGFJQCADC-ZDUSSCGKSA-N -1 1 397.443 1.396 20 0 GDADMM C[C@@H](Cc1cccc(F)c1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824457337 608556080 /nfs/dbraw/zinc/55/60/80/608556080.db2.gz KBNZVFMQBUDSOP-NSHDSACASA-N -1 1 386.435 1.581 20 0 GDADMM C[C@@H](Cc1cccc(F)c1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824457337 608556082 /nfs/dbraw/zinc/55/60/82/608556082.db2.gz KBNZVFMQBUDSOP-NSHDSACASA-N -1 1 386.435 1.581 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCc2ccccc2[C@H]1CO ZINC000826495535 608566004 /nfs/dbraw/zinc/56/60/04/608566004.db2.gz SQGMTUVBVJTQLQ-MRXNPFEDSA-N -1 1 389.412 1.286 20 0 GDADMM C[C@@H](CCO)C1(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCC1 ZINC000824406114 608589619 /nfs/dbraw/zinc/58/96/19/608589619.db2.gz CXBGKLCRFKBYCX-NSHDSACASA-N -1 1 383.449 1.473 20 0 GDADMM C[C@@H](CCO)C1(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCC1 ZINC000824406114 608589621 /nfs/dbraw/zinc/58/96/21/608589621.db2.gz CXBGKLCRFKBYCX-NSHDSACASA-N -1 1 383.449 1.473 20 0 GDADMM CN(Cc1ccccc1)C(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000825980983 608608752 /nfs/dbraw/zinc/60/87/52/608608752.db2.gz NHQPOPXKVCBDTP-UHFFFAOYSA-N -1 1 381.440 1.829 20 0 GDADMM CN(Cc1ccccc1)C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000825980983 608608753 /nfs/dbraw/zinc/60/87/53/608608753.db2.gz NHQPOPXKVCBDTP-UHFFFAOYSA-N -1 1 381.440 1.829 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC2CCC(C(=O)OC(C)(C)C)CC2)n1 ZINC000826356765 608813749 /nfs/dbraw/zinc/81/37/49/608813749.db2.gz DYLOFRWLBGNQKS-UHFFFAOYSA-N -1 1 390.448 1.622 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC2CCC(C(=O)OC(C)(C)C)CC2)n1 ZINC000826356765 608813753 /nfs/dbraw/zinc/81/37/53/608813753.db2.gz DYLOFRWLBGNQKS-UHFFFAOYSA-N -1 1 390.448 1.622 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cnc(C2CC2)s1 ZINC000824999015 608837824 /nfs/dbraw/zinc/83/78/24/608837824.db2.gz CKNSHGLVBPAUMM-LLVKDONJSA-N -1 1 383.485 1.701 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cc(F)c(F)cc1F ZINC000825000485 608839181 /nfs/dbraw/zinc/83/91/81/608839181.db2.gz RCDIDHKNTLRMNA-JTQLQIEISA-N -1 1 390.373 1.785 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1cc(F)c(F)cc1F ZINC000825000485 608839183 /nfs/dbraw/zinc/83/91/83/608839183.db2.gz RCDIDHKNTLRMNA-JTQLQIEISA-N -1 1 390.373 1.785 20 0 GDADMM Cc1nccc(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)c1Cl ZINC000826330401 609180454 /nfs/dbraw/zinc/18/04/54/609180454.db2.gz SKLYJDFEBXQHPM-UHFFFAOYSA-N -1 1 387.831 1.934 20 0 GDADMM CC(C)C[C@H]1C[C@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCO1 ZINC000824242695 609181246 /nfs/dbraw/zinc/18/12/46/609181246.db2.gz AJFMVXJIAHBWRH-OLZOCXBDSA-N -1 1 383.449 1.878 20 0 GDADMM CS(=O)(=O)CCCCNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826223042 609277723 /nfs/dbraw/zinc/27/77/23/609277723.db2.gz ZAQYVCBPJNVYIG-UHFFFAOYSA-N -1 1 379.421 1.428 20 0 GDADMM Cc1cc(NC(=O)CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)no1 ZINC000826270323 609281172 /nfs/dbraw/zinc/28/11/72/609281172.db2.gz VFMCPTQUJUVTCW-UHFFFAOYSA-N -1 1 383.347 1.539 20 0 GDADMM COCCCOCC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826156807 609290821 /nfs/dbraw/zinc/29/08/21/609290821.db2.gz UMSSOMXHHHMSRJ-UHFFFAOYSA-N -1 1 375.364 1.183 20 0 GDADMM C[C@@H]1CCC[C@@H](CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1 ZINC000824926647 609300130 /nfs/dbraw/zinc/30/01/30/609300130.db2.gz KOJSMMKAUHHVAZ-VXGBXAGGSA-N -1 1 375.481 1.572 20 0 GDADMM C[C@@H]1CCC[C@@H](CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C1 ZINC000824926647 609300132 /nfs/dbraw/zinc/30/01/32/609300132.db2.gz KOJSMMKAUHHVAZ-VXGBXAGGSA-N -1 1 375.481 1.572 20 0 GDADMM CC(C)[C@H]1CCCC[C@@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824217040 609301750 /nfs/dbraw/zinc/30/17/50/609301750.db2.gz XMBNFEVWWWYOQJ-OLZOCXBDSA-N -1 1 389.508 1.961 20 0 GDADMM CC(C)[C@H]1CCCC[C@@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824217040 609301752 /nfs/dbraw/zinc/30/17/52/609301752.db2.gz XMBNFEVWWWYOQJ-OLZOCXBDSA-N -1 1 389.508 1.961 20 0 GDADMM C[C@@H]1CC[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)[C@H](C)C1 ZINC000824915981 609302212 /nfs/dbraw/zinc/30/22/12/609302212.db2.gz JBNFJTYXUPGNJQ-UTUOFQBUSA-N -1 1 375.481 1.571 20 0 GDADMM C[C@@H]1CC[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)[C@H](C)C1 ZINC000824915981 609302214 /nfs/dbraw/zinc/30/22/14/609302214.db2.gz JBNFJTYXUPGNJQ-UTUOFQBUSA-N -1 1 375.481 1.571 20 0 GDADMM CN(C)c1cccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000825930366 609302842 /nfs/dbraw/zinc/30/28/42/609302842.db2.gz UXIMMRPKDQRPJR-UHFFFAOYSA-N -1 1 398.475 1.012 20 0 GDADMM CN(C)c1cccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000825930366 609302845 /nfs/dbraw/zinc/30/28/45/609302845.db2.gz UXIMMRPKDQRPJR-UHFFFAOYSA-N -1 1 398.475 1.012 20 0 GDADMM Cc1cccc(CCNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000826297626 609303347 /nfs/dbraw/zinc/30/33/47/609303347.db2.gz NEARBCJDJGZELM-UHFFFAOYSA-N -1 1 383.460 1.297 20 0 GDADMM Cc1cccc(CCNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000826297626 609303349 /nfs/dbraw/zinc/30/33/49/609303349.db2.gz NEARBCJDJGZELM-UHFFFAOYSA-N -1 1 383.460 1.297 20 0 GDADMM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824874564 609304027 /nfs/dbraw/zinc/30/40/27/609304027.db2.gz DVUQTUAVPHDDBB-VXGBXAGGSA-N -1 1 389.508 1.961 20 0 GDADMM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824874564 609304029 /nfs/dbraw/zinc/30/40/29/609304029.db2.gz DVUQTUAVPHDDBB-VXGBXAGGSA-N -1 1 389.508 1.961 20 0 GDADMM CC1(CNC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)OCCO1 ZINC000824823249 609358434 /nfs/dbraw/zinc/35/84/34/609358434.db2.gz KUTXQUNNZIUDKM-UHFFFAOYSA-N -1 1 388.363 1.076 20 0 GDADMM CN(Cc1cnn(C)c1)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825991728 609361979 /nfs/dbraw/zinc/36/19/79/609361979.db2.gz IRYLOQLXKPMQLH-UHFFFAOYSA-N -1 1 396.390 1.589 20 0 GDADMM O=C(NCc1nccs1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826443887 609362643 /nfs/dbraw/zinc/36/26/43/609362643.db2.gz IKCNQCWFFOVCPD-UHFFFAOYSA-N -1 1 385.388 1.970 20 0 GDADMM CCOC(=O)CCNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825512064 609363563 /nfs/dbraw/zinc/36/35/63/609363563.db2.gz RMPZBIWNCOIQNI-UHFFFAOYSA-N -1 1 388.363 1.266 20 0 GDADMM C[C@@H]1CCCN1C(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824947452 609365802 /nfs/dbraw/zinc/36/58/02/609365802.db2.gz NRHWZTDDKWDTGY-SNVBAGLBSA-N -1 1 384.375 1.141 20 0 GDADMM C[C@H]1CN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C[C@@H]1C ZINC000824967037 609366209 /nfs/dbraw/zinc/36/62/09/609366209.db2.gz GRXMRHCAGKYUDW-QWRGUYRKSA-N -1 1 398.402 1.244 20 0 GDADMM CC(=O)NCCN(Cc1ccc(-c2nn[n-]n2)s1)[C@@H](C)C(=O)OC(C)(C)C ZINC000823994692 609367605 /nfs/dbraw/zinc/36/76/05/609367605.db2.gz MMSVSEQIROTXFR-NSHDSACASA-N -1 1 394.501 1.597 20 0 GDADMM CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823987702 609384702 /nfs/dbraw/zinc/38/47/02/609384702.db2.gz BCUZBTZEWUSBMC-QGZVFWFLSA-N -1 1 378.392 1.278 20 0 GDADMM CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823987702 609384705 /nfs/dbraw/zinc/38/47/05/609384705.db2.gz BCUZBTZEWUSBMC-QGZVFWFLSA-N -1 1 378.392 1.278 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@H](CO)c2ccccc2C)cc1-c1nn[n-]n1 ZINC000826229411 609406401 /nfs/dbraw/zinc/40/64/01/609406401.db2.gz DALIXWYUJNEEOD-CYBMUJFWSA-N -1 1 386.437 1.461 20 0 GDADMM O=C(NN1CN=NC1=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826461173 609435675 /nfs/dbraw/zinc/43/56/75/609435675.db2.gz JJANKMHRYVCQDZ-UHFFFAOYSA-N -1 1 382.315 1.479 20 0 GDADMM O=C(NN1CN=NC1=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826461173 609435677 /nfs/dbraw/zinc/43/56/77/609435677.db2.gz JJANKMHRYVCQDZ-UHFFFAOYSA-N -1 1 382.315 1.479 20 0 GDADMM Cc1onc(CC(=O)N[C@H]2CCCN(c3ccccc3F)C2)c1-c1nnn[n-]1 ZINC000826346400 609469734 /nfs/dbraw/zinc/46/97/34/609469734.db2.gz LPKRDALSWBADCA-LBPRGKRZSA-N -1 1 385.403 1.630 20 0 GDADMM Cc1onc(CC(=O)N[C@H]2CCCN(c3ccccc3F)C2)c1-c1nn[n-]n1 ZINC000826346400 609469737 /nfs/dbraw/zinc/46/97/37/609469737.db2.gz LPKRDALSWBADCA-LBPRGKRZSA-N -1 1 385.403 1.630 20 0 GDADMM Cc1ccncc1C=CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000826315943 609506463 /nfs/dbraw/zinc/50/64/63/609506463.db2.gz ZAIPKTHLPHMKPW-NQHOJNORSA-N -1 1 391.439 1.111 20 0 GDADMM Cc1ccncc1C=CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000826315943 609506465 /nfs/dbraw/zinc/50/64/65/609506465.db2.gz ZAIPKTHLPHMKPW-NQHOJNORSA-N -1 1 391.439 1.111 20 0 GDADMM C[C@H]1C[C@H](C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)C[C@@H](C)C1 ZINC000824876816 609592740 /nfs/dbraw/zinc/59/27/40/609592740.db2.gz UKMCVBKAZMCOAF-LJISPDSOSA-N -1 1 384.488 1.766 20 0 GDADMM C[C@H]1C[C@H](C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)C[C@@H](C)C1 ZINC000824876816 609592742 /nfs/dbraw/zinc/59/27/42/609592742.db2.gz UKMCVBKAZMCOAF-LJISPDSOSA-N -1 1 384.488 1.766 20 0 GDADMM NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)cc1 ZINC000531370801 649989581 /nfs/dbraw/zinc/98/95/81/649989581.db2.gz LHBWDBZBICKRSJ-UHFFFAOYSA-N -1 1 392.405 1.779 20 0 GDADMM COC[C@](C)(O)C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000536598486 650273339 /nfs/dbraw/zinc/27/33/39/650273339.db2.gz NGTMQMPECJVMHT-LLVKDONJSA-N -1 1 390.658 1.917 20 0 GDADMM CC(C)(CCCO)CNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000536754804 650280265 /nfs/dbraw/zinc/28/02/65/650280265.db2.gz BOAGRGRZFOIISY-UHFFFAOYSA-N -1 1 382.479 1.274 20 0 GDADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@H]3COCC[C@H]32)c(F)c1 ZINC000536906036 650283525 /nfs/dbraw/zinc/28/35/25/650283525.db2.gz SHOAQJXLVPMPHX-SMDDNHRTSA-N -1 1 392.474 1.387 20 0 GDADMM Cc1nc(S[C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)[n-]c(=O)c1C ZINC000538516608 650313462 /nfs/dbraw/zinc/31/34/62/650313462.db2.gz JGOVQOJMRFWLQO-JTQLQIEISA-N -1 1 382.467 1.566 20 0 GDADMM COc1ccc(NC(=O)N(C)C[C@@H](O)C(F)(F)F)cc1[N-]S(C)(=O)=O ZINC000540358167 650358120 /nfs/dbraw/zinc/35/81/20/650358120.db2.gz XOHNBJSVSLOXHW-LLVKDONJSA-N -1 1 385.364 1.454 20 0 GDADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC(F)(F)C2)c(OC)c1 ZINC000540654070 650367443 /nfs/dbraw/zinc/36/74/43/650367443.db2.gz ZBDJVSMKAJELIY-UHFFFAOYSA-N -1 1 398.453 1.877 20 0 GDADMM COC(=O)[C@]1([N-]S(=O)(=O)c2cccc(Br)c2F)CCOC1 ZINC000541536130 650386303 /nfs/dbraw/zinc/38/63/03/650386303.db2.gz ZWLDQUBAFCALAE-LBPRGKRZSA-N -1 1 382.207 1.199 20 0 GDADMM C[C@H](NCc1nc(=O)n(C)[n-]1)c1nc(-c2ccc(Br)cc2)no1 ZINC000542619641 650408318 /nfs/dbraw/zinc/40/83/18/650408318.db2.gz IVKVBELBZFXHRT-QMMMGPOBSA-N -1 1 379.218 1.772 20 0 GDADMM CCOC(=O)[C@@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)C[C@H](C)C(=O)OC ZINC000544708362 650445081 /nfs/dbraw/zinc/44/50/81/650445081.db2.gz UWEHOCDGQHCLKD-SMDDNHRTSA-N -1 1 391.873 1.543 20 0 GDADMM CCC(=O)N1CC[C@@H](NC(=O)c2ccc(I)c([O-])c2)C1 ZINC000544833299 650446495 /nfs/dbraw/zinc/44/64/95/650446495.db2.gz TZRQDFHAQJPGSU-SNVBAGLBSA-N -1 1 388.205 1.738 20 0 GDADMM O=C(NCC[N-]S(=O)(=O)c1ccc(Br)o1)c1ccc(F)cc1 ZINC000545364025 650455103 /nfs/dbraw/zinc/45/51/03/650455103.db2.gz PFJYBKPWSNRAAM-UHFFFAOYSA-N -1 1 391.218 1.890 20 0 GDADMM CN(Cc1ccccc1)C(=O)C[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000546093180 650470627 /nfs/dbraw/zinc/47/06/27/650470627.db2.gz SIQJUHJLUZMGIS-UHFFFAOYSA-N -1 1 387.255 1.979 20 0 GDADMM Cc1ncc(CNC(=O)c2ccc(I)c([O-])c2)c(=O)[nH]1 ZINC000546198406 650474179 /nfs/dbraw/zinc/47/41/79/650474179.db2.gz OUGHWGNBOKROSK-UHFFFAOYSA-N -1 1 385.161 1.731 20 0 GDADMM CCC[C@@H](NC(=O)c1ccc(I)c(O)c1)c1nn[n-]n1 ZINC000546211822 650474477 /nfs/dbraw/zinc/47/44/77/650474477.db2.gz HNVWFCBGUQPCBT-SECBINFHSA-N -1 1 387.181 1.781 20 0 GDADMM C[S@@](=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000546540099 650478425 /nfs/dbraw/zinc/47/84/25/650478425.db2.gz GOVZDXUJSCWDDO-HSZRJFAPSA-N -1 1 399.515 1.696 20 0 GDADMM O=C(NC[C@H](O)COCC1CC1)c1ccc(I)c([O-])c1 ZINC000546871604 650488415 /nfs/dbraw/zinc/48/84/15/650488415.db2.gz AOUCQZDCDUTNBP-NSHDSACASA-N -1 1 391.205 1.514 20 0 GDADMM C[S@@](=O)Cc1ccccc1[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000547244551 650492980 /nfs/dbraw/zinc/49/29/80/650492980.db2.gz RXHOAYMUZMBSNZ-XMMPIXPASA-N -1 1 377.451 1.342 20 0 GDADMM O=C([O-])[C@@H](Cc1cnc[nH]1)NS(=O)(=O)c1ccc(F)c(Br)c1 ZINC000547555383 650501952 /nfs/dbraw/zinc/50/19/52/650501952.db2.gz OBSIAMFNODQZIY-LLVKDONJSA-N -1 1 392.206 1.286 20 0 GDADMM O=C([O-])CN1CCCN(S(=O)(=O)c2csc(-c3ccccc3)n2)CC1 ZINC000547908016 650521096 /nfs/dbraw/zinc/52/10/96/650521096.db2.gz RBYZHYYNOQZYSL-UHFFFAOYSA-N -1 1 381.479 1.591 20 0 GDADMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)CCO)cc2)cc1F 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C[C@H](Sc1nc2ccccc2s1)C(=O)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913495890 660083412 /nfs/dbraw/zinc/08/34/12/660083412.db2.gz PIMCBONPKFWSIA-GXSJLCMTSA-N -1 1 376.467 1.890 20 0 GDADMM Cc1nc(SCC(C)C)sc1CC(=O)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913497475 660083679 /nfs/dbraw/zinc/08/36/79/660083679.db2.gz CGKUSPQPOWAQJN-LLVKDONJSA-N -1 1 382.515 1.855 20 0 GDADMM O=C(c1cc(F)c(Br)cc1Cl)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913499336 660083952 /nfs/dbraw/zinc/08/39/52/660083952.db2.gz VSOJQRIMJZPMLX-SNVBAGLBSA-N -1 1 390.600 1.968 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-]Cc2ccnn2C)c1F ZINC000913901738 660103693 /nfs/dbraw/zinc/10/36/93/660103693.db2.gz CSWJCKCSVONGRU-UHFFFAOYSA-N -1 1 378.223 1.809 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-]CCCn2cncn2)c1F ZINC000913919019 660104820 /nfs/dbraw/zinc/10/48/20/660104820.db2.gz YRFOBWKSOMCFHL-UHFFFAOYSA-N -1 1 393.238 1.557 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-]CCn2cncn2)c1F ZINC000913981963 660108984 /nfs/dbraw/zinc/10/89/84/660108984.db2.gz WITUQQGSIAOODQ-UHFFFAOYSA-N -1 1 379.211 1.167 20 0 GDADMM CCC(CC)([N-]S(=O)(=O)c1c(Br)ccc(OC)c1F)C(N)=O ZINC000914021972 660110798 /nfs/dbraw/zinc/11/07/98/660110798.db2.gz HEJLSRHDZMCZEQ-UHFFFAOYSA-N -1 1 397.266 1.919 20 0 GDADMM O=S(=O)(Cc1cc2c(cc1Br)OCO2)[N-]CC1OCCCO1 ZINC000914420834 660148925 /nfs/dbraw/zinc/14/89/25/660148925.db2.gz CKJPRPGSNIZPJJ-UHFFFAOYSA-N -1 1 394.243 1.360 20 0 GDADMM COCC[C@H](CO)[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000915217827 660164374 /nfs/dbraw/zinc/16/43/74/660164374.db2.gz NMBKPDBPHBWIOW-MRVPVSSYSA-N -1 1 386.239 1.273 20 0 GDADMM Cc1nc(S(=O)(=O)[N-][C@H](CO)C2CCCCC2)c(Br)n1C ZINC000386214618 677677405 /nfs/dbraw/zinc/67/74/05/677677405.db2.gz ULUIKVPZLZJINE-LLVKDONJSA-N -1 1 380.308 1.711 20 0 GDADMM CCN(CC)C(=O)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000388486397 677677586 /nfs/dbraw/zinc/67/75/86/677677586.db2.gz PPEMUGNEOHPWGQ-UHFFFAOYSA-N -1 1 394.247 1.504 20 0 GDADMM CCN1C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC1=O ZINC000391585897 677677847 /nfs/dbraw/zinc/67/78/47/677677847.db2.gz HLKHSUPIRFJCOE-SECBINFHSA-N -1 1 392.231 1.256 20 0 GDADMM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC000798148343 677679288 /nfs/dbraw/zinc/67/92/88/677679288.db2.gz XQSPUDHSFVNTPQ-SECBINFHSA-N -1 1 386.239 1.784 20 0 GDADMM CN1CCN(c2cc(C(=O)N[C@]3(C(=O)[O-])CCc4ccccc43)ccn2)CC1 ZINC000738019800 939057183 /nfs/dbraw/zinc/05/71/83/939057183.db2.gz AFYASALDQGTPPP-OAQYLSRUSA-N -1 1 380.448 1.490 20 0 GDADMM CN1CCN(c2ccc(CNC(=O)N[C@H](C(=O)[O-])C3CCCCC3)cn2)CC1 ZINC000780373824 939112268 /nfs/dbraw/zinc/11/22/68/939112268.db2.gz LGCMOIIYPHTPFO-SFHVURJKSA-N -1 1 389.500 1.666 20 0 GDADMM CCC(CC)[C@H](CNC(=O)NC1(C(=O)[O-])CCSCC1)N1CCOCC1 ZINC000908772009 939318390 /nfs/dbraw/zinc/31/83/90/939318390.db2.gz BJDNOPPOIPIXAT-HNNXBMFYSA-N -1 1 387.546 1.773 20 0 GDADMM O=C([O-])[C@]1(NC(=O)NCCCN2CCN(c3ccccc3)CC2)CCSC1 ZINC000908821619 939329620 /nfs/dbraw/zinc/32/96/20/939329620.db2.gz OWGBECNQUBDGPI-IBGZPJMESA-N -1 1 392.525 1.458 20 0 GDADMM COc1ccc([C@H](NC(=O)N[C@@H]2CCCN3CCSC[C@H]23)C(=O)[O-])cc1 ZINC000929065182 939809087 /nfs/dbraw/zinc/80/90/87/939809087.db2.gz TZFABKVLPXWUQG-OAGGEKHMSA-N -1 1 379.482 1.700 20 0 GDADMM O=C([O-])C1(CNC(=O)NC2CCN(Cc3ccccn3)CC2)CCOCC1 ZINC001601473325 971004106 /nfs/dbraw/zinc/00/41/06/971004106.db2.gz MXMPYYMLEPDYHA-UHFFFAOYSA-N -1 1 376.457 1.227 20 0 GDADMM COC(=O)C1(c2ccc(S(=O)(=O)[N-]c3cccc(-c4nn[nH]n4)c3)cc2)CC1 ZINC000486867952 944634348 /nfs/dbraw/zinc/63/43/48/944634348.db2.gz MTSPHEVWBGGEPT-UHFFFAOYSA-N -1 1 399.432 1.872 20 0 GDADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCCCN1C(=O)c1cncs1 ZINC001571261829 945431026 /nfs/dbraw/zinc/43/10/26/945431026.db2.gz JTLOTMGEHXCPBO-MNOVXSKESA-N -1 1 385.457 1.030 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N(C)[C@@H]2CCN(C(=O)c3ccsn3)C2)n1 ZINC001571262315 945434811 /nfs/dbraw/zinc/43/48/11/945434811.db2.gz OTDDOINPFJELOM-SNVBAGLBSA-N -1 1 385.457 1.027 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N(C)[C@@H]2CCN(C(=O)c3ccsn3)C2)n1 ZINC001571262315 945434818 /nfs/dbraw/zinc/43/48/18/945434818.db2.gz OTDDOINPFJELOM-SNVBAGLBSA-N -1 1 385.457 1.027 20 0 GDADMM Cc1cc(C(=O)N2CCCC[C@H]2CNc2nccnc2-c2nnn[n-]2)ns1 ZINC001571263212 945453568 /nfs/dbraw/zinc/45/35/68/945453568.db2.gz KCFMFGZELFSTHY-NSHDSACASA-N -1 1 385.457 1.528 20 0 GDADMM Cc1cc(C(=O)N2CCCC[C@H]2CNc2nccnc2-c2nn[n-]n2)ns1 ZINC001571263212 945453569 /nfs/dbraw/zinc/45/35/69/945453569.db2.gz KCFMFGZELFSTHY-NSHDSACASA-N -1 1 385.457 1.528 20 0 GDADMM Cc1nc(C)c(C(=O)N2CCCN(c3ccnc(-c4nn[n-]n4)n3)CC2)s1 ZINC001571263329 945455623 /nfs/dbraw/zinc/45/56/23/945455623.db2.gz NAVMJLIGCJOIBM-UHFFFAOYSA-N -1 1 385.457 1.083 20 0 GDADMM Cc1ncsc1C(=O)N1CC[C@@](C)(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571263471 945459433 /nfs/dbraw/zinc/45/94/33/945459433.db2.gz RFDVYAQIVJITDE-INIZCTEOSA-N -1 1 385.457 1.386 20 0 GDADMM Cc1ncsc1C(=O)N1CC[C@@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571263471 945459441 /nfs/dbraw/zinc/45/94/41/945459441.db2.gz RFDVYAQIVJITDE-INIZCTEOSA-N -1 1 385.457 1.386 20 0 GDADMM Cc1ncsc1C(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001571263558 945461837 /nfs/dbraw/zinc/46/18/37/945461837.db2.gz TXJIGCIVLITWPX-WDEREUQCSA-N -1 1 385.457 1.445 20 0 GDADMM Cc1ncsc1C(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001571263558 945461842 /nfs/dbraw/zinc/46/18/42/945461842.db2.gz TXJIGCIVLITWPX-WDEREUQCSA-N -1 1 385.457 1.445 20 0 GDADMM Cc1nsc(N2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C2CC2)c1-c1nn[n-]n1 ZINC001571265202 945503583 /nfs/dbraw/zinc/50/35/83/945503583.db2.gz GUGQYWYKCXSKLK-CRWXNKLISA-N -1 1 385.497 1.715 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ccc(Cl)cn1 ZINC001571265334 945507722 /nfs/dbraw/zinc/50/77/22/945507722.db2.gz HNPUFZXPRFPESH-JGZJWPJOSA-N -1 1 385.819 1.326 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ccc(Cl)cn1 ZINC001571265334 945507735 /nfs/dbraw/zinc/50/77/35/945507735.db2.gz HNPUFZXPRFPESH-JGZJWPJOSA-N -1 1 385.819 1.326 20 0 GDADMM COCC(=O)N1CCC(CCNc2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC001571265628 945517038 /nfs/dbraw/zinc/51/70/38/945517038.db2.gz NDJWEEZWRSMMEZ-UHFFFAOYSA-N -1 1 385.881 1.664 20 0 GDADMM COCC(=O)N1CCC(CCNc2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC001571265628 945517042 /nfs/dbraw/zinc/51/70/42/945517042.db2.gz NDJWEEZWRSMMEZ-UHFFFAOYSA-N -1 1 385.881 1.664 20 0 GDADMM O=C(c1ccc(Cl)cn1)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571266322 945538733 /nfs/dbraw/zinc/53/87/33/945538733.db2.gz ZHZMYPVPPYJSOY-NSHDSACASA-N -1 1 385.819 1.422 20 0 GDADMM O=C(c1ccc(Cl)cn1)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571266322 945538741 /nfs/dbraw/zinc/53/87/41/945538741.db2.gz ZHZMYPVPPYJSOY-NSHDSACASA-N -1 1 385.819 1.422 20 0 GDADMM CN(C(=O)c1ccc(F)c(F)c1)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571267057 945561656 /nfs/dbraw/zinc/56/16/56/945561656.db2.gz IBLYNHUPQLFKGE-LLVKDONJSA-N -1 1 386.366 1.286 20 0 GDADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(F)ccc1F ZINC001571267048 945561953 /nfs/dbraw/zinc/56/19/53/945561953.db2.gz HSTJXUKAOFQSLP-TVQRCGJNSA-N -1 1 386.366 1.072 20 0 GDADMM O=C(NC[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cc(F)cc(F)c1 ZINC001571267174 945562397 /nfs/dbraw/zinc/56/23/97/945562397.db2.gz LKRPPROFHHZNIA-GMZHKTEUSA-N -1 1 386.366 1.555 20 0 GDADMM O=C(NC[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cc(F)cc(F)c1 ZINC001571267174 945562400 /nfs/dbraw/zinc/56/24/00/945562400.db2.gz LKRPPROFHHZNIA-GMZHKTEUSA-N -1 1 386.366 1.555 20 0 GDADMM Cc1cc(F)c(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)cc1F ZINC001571267287 945566976 /nfs/dbraw/zinc/56/69/76/945566976.db2.gz PMKKNBNYURVCMB-SNVBAGLBSA-N -1 1 386.366 1.570 20 0 GDADMM Cc1cc(F)c(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)cc1F ZINC001571267287 945567000 /nfs/dbraw/zinc/56/70/00/945567000.db2.gz PMKKNBNYURVCMB-SNVBAGLBSA-N -1 1 386.366 1.570 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cccc(F)c1F ZINC001571267421 945568686 /nfs/dbraw/zinc/56/86/86/945568686.db2.gz UWXDVJMNQIWYKU-BXKDBHETSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cccc(F)c1F ZINC001571267421 945568694 /nfs/dbraw/zinc/56/86/94/945568694.db2.gz UWXDVJMNQIWYKU-BXKDBHETSA-N -1 1 386.366 1.650 20 0 GDADMM Cc1nsc(N2C[C@@H]3CCN(C(=O)c4ncoc4C)[C@@H]3C2)c1-c1nn[n-]n1 ZINC001571270030 945629156 /nfs/dbraw/zinc/62/91/56/945629156.db2.gz LAZYYYRYAGKRPC-WDEREUQCSA-N -1 1 386.441 1.279 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N(C)C2CCN(C(=O)[C@H](C)C(C)C)CC2)n1 ZINC001571271916 945653723 /nfs/dbraw/zinc/65/37/23/945653723.db2.gz MOIMCIHXZNZHBS-CYBMUJFWSA-N -1 1 386.504 1.938 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N(C)C2CCN(C(=O)[C@H](C)C(C)C)CC2)n1 ZINC001571271916 945653732 /nfs/dbraw/zinc/65/37/32/945653732.db2.gz MOIMCIHXZNZHBS-CYBMUJFWSA-N -1 1 386.504 1.938 20 0 GDADMM CN(C[C@@H]1CCCN1C(=O)C[C@@H]1CCCCO1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571272176 945656532 /nfs/dbraw/zinc/65/65/32/945656532.db2.gz ADXBZKIHUXKCGM-KBPBESRZSA-N -1 1 386.460 1.043 20 0 GDADMM CN(C[C@@H]1CCCN1C(=O)C[C@@H]1CCCCO1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571272176 945656539 /nfs/dbraw/zinc/65/65/39/945656539.db2.gz ADXBZKIHUXKCGM-KBPBESRZSA-N -1 1 386.460 1.043 20 0 GDADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@H]1CCN(C(=O)CC[C@@H]2CCCCO2)C1 ZINC001571272645 945666978 /nfs/dbraw/zinc/66/69/78/945666978.db2.gz GXFAQGHPNBAWSF-KBPBESRZSA-N -1 1 386.460 1.043 20 0 GDADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@H]1CCN(C(=O)CC[C@@H]2CCCCO2)C1 ZINC001571272645 945666982 /nfs/dbraw/zinc/66/69/82/945666982.db2.gz GXFAQGHPNBAWSF-KBPBESRZSA-N -1 1 386.460 1.043 20 0 GDADMM O=C(C[C@H]1CCCO1)N1CCCC[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001571272793 945671782 /nfs/dbraw/zinc/67/17/82/945671782.db2.gz IKTVBEXIJRWBNB-UONOGXRCSA-N -1 1 386.460 1.409 20 0 GDADMM O=C(C[C@H]1CCCO1)N1CCCC[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001571272793 945671787 /nfs/dbraw/zinc/67/17/87/945671787.db2.gz IKTVBEXIJRWBNB-UONOGXRCSA-N -1 1 386.460 1.409 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)CC1)[C@@H]1CCCOC1 ZINC001571272913 945673863 /nfs/dbraw/zinc/67/38/63/945673863.db2.gz KVFFQKRPBOXYOI-MGPQQGTHSA-N -1 1 386.460 1.170 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)CC1)[C@@H]1CCCOC1 ZINC001571272913 945673866 /nfs/dbraw/zinc/67/38/66/945673866.db2.gz KVFFQKRPBOXYOI-MGPQQGTHSA-N -1 1 386.460 1.170 20 0 GDADMM O=C(CCC1CCOCC1)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571272937 945676306 /nfs/dbraw/zinc/67/63/06/945676306.db2.gz LIMBDPZEQNRAAR-AWEZNQCLSA-N -1 1 386.460 1.266 20 0 GDADMM O=C(CCC1CCOCC1)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571272937 945676312 /nfs/dbraw/zinc/67/63/12/945676312.db2.gz LIMBDPZEQNRAAR-AWEZNQCLSA-N -1 1 386.460 1.266 20 0 GDADMM CCc1nc(N[C@@H]2CCCN(C(=O)[C@@]3(C)CCOC3)C2)cc(-c2nnn[n-]2)n1 ZINC001571273096 945679085 /nfs/dbraw/zinc/67/90/85/945679085.db2.gz OZCPIJVMNCQNLT-XIKOKIGWSA-N -1 1 386.460 1.049 20 0 GDADMM CCc1nc(N[C@@H]2CCCN(C(=O)[C@@]3(C)CCOC3)C2)cc(-c2nn[n-]n2)n1 ZINC001571273096 945679089 /nfs/dbraw/zinc/67/90/89/945679089.db2.gz OZCPIJVMNCQNLT-XIKOKIGWSA-N -1 1 386.460 1.049 20 0 GDADMM O=C(CC1CCOCC1)NC1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571273181 945681673 /nfs/dbraw/zinc/68/16/73/945681673.db2.gz RYBGEDQHLRLBAY-UHFFFAOYSA-N -1 1 386.460 1.313 20 0 GDADMM O=C(CC1CCOCC1)NC1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571273181 945681679 /nfs/dbraw/zinc/68/16/79/945681679.db2.gz RYBGEDQHLRLBAY-UHFFFAOYSA-N -1 1 386.460 1.313 20 0 GDADMM O=C(CC1(O)CCC1)N1CCCC[C@@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001571273184 945681885 /nfs/dbraw/zinc/68/18/85/945681885.db2.gz SAHLPTSIHPPYMR-CYBMUJFWSA-N -1 1 386.460 1.145 20 0 GDADMM O=C(CC1(O)CCC1)N1CCCC[C@@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001571273184 945681888 /nfs/dbraw/zinc/68/18/88/945681888.db2.gz SAHLPTSIHPPYMR-CYBMUJFWSA-N -1 1 386.460 1.145 20 0 GDADMM O=C(CC[C@H]1CCOC1)N1CC[C@@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571273343 945685872 /nfs/dbraw/zinc/68/58/72/945685872.db2.gz VVZFAROUYBPATB-KGLIPLIRSA-N -1 1 386.460 1.124 20 0 GDADMM O=C(CC[C@H]1CCOC1)N1CC[C@@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571273343 945685875 /nfs/dbraw/zinc/68/58/75/945685875.db2.gz VVZFAROUYBPATB-KGLIPLIRSA-N -1 1 386.460 1.124 20 0 GDADMM O=C(CC[C@H]1CCOC1)N1CC[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571273342 945686725 /nfs/dbraw/zinc/68/67/25/945686725.db2.gz VVZFAROUYBPATB-KBPBESRZSA-N -1 1 386.460 1.124 20 0 GDADMM O=C(CC[C@H]1CCOC1)N1CC[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571273342 945686731 /nfs/dbraw/zinc/68/67/31/945686731.db2.gz VVZFAROUYBPATB-KBPBESRZSA-N -1 1 386.460 1.124 20 0 GDADMM COc1cc(S(=O)(=O)[N-]Cc2ccc(-c3nn[nH]n3)c(Cl)c2)sn1 ZINC001571274853 945701390 /nfs/dbraw/zinc/70/13/90/945701390.db2.gz LXPVMCRGGGYILY-UHFFFAOYSA-N -1 1 386.846 1.464 20 0 GDADMM CS(=O)(=O)Nc1cc(NS(=O)(=O)c2ccsc2C(=O)[O-])ccc1F ZINC000324911023 971168977 /nfs/dbraw/zinc/16/89/77/971168977.db2.gz XHIOCFKUAGCLHQ-UHFFFAOYSA-N -1 1 394.427 1.758 20 0 GDADMM CC1(C(=O)N2CCC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)CCOCC1 ZINC001571275720 945713292 /nfs/dbraw/zinc/71/32/92/945713292.db2.gz BIIFXKPVNKCQIF-CYBMUJFWSA-N -1 1 386.460 1.124 20 0 GDADMM CC1(C(=O)N2CCC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)CCOCC1 ZINC001571275720 945713296 /nfs/dbraw/zinc/71/32/96/945713296.db2.gz BIIFXKPVNKCQIF-CYBMUJFWSA-N -1 1 386.460 1.124 20 0 GDADMM CCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCN(C(=O)[C@]2(C)CCOC2)CC1 ZINC001571275799 945715848 /nfs/dbraw/zinc/71/58/48/945715848.db2.gz CPZNSPVZQVXVOS-QGZVFWFLSA-N -1 1 386.460 1.266 20 0 GDADMM CCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCN(C(=O)[C@]2(C)CCOC2)CC1 ZINC001571275799 945715853 /nfs/dbraw/zinc/71/58/53/945715853.db2.gz CPZNSPVZQVXVOS-QGZVFWFLSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1CCN(C(=O)C[C@@H]2CCOC2)CC1 ZINC001571278619 945755052 /nfs/dbraw/zinc/75/50/52/945755052.db2.gz PNKDAQUYSLUNOQ-STQMWFEESA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1CCN(C(=O)C[C@@H]2CCOC2)CC1 ZINC001571278619 945755058 /nfs/dbraw/zinc/75/50/58/945755058.db2.gz PNKDAQUYSLUNOQ-STQMWFEESA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1CCN(C(=O)C[C@H]2CCOC2)CC1 ZINC001571278618 945755522 /nfs/dbraw/zinc/75/55/22/945755522.db2.gz PNKDAQUYSLUNOQ-QWHCGFSZSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1CCN(C(=O)C[C@H]2CCOC2)CC1 ZINC001571278618 945755524 /nfs/dbraw/zinc/75/55/24/945755524.db2.gz PNKDAQUYSLUNOQ-QWHCGFSZSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CCN(C(=O)[C@H]2CCCCO2)CC1 ZINC001571279339 945775316 /nfs/dbraw/zinc/77/53/16/945775316.db2.gz VFKIJWCJZXYIDJ-IUODEOHRSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CCN(C(=O)[C@H]2CCCCO2)CC1 ZINC001571279339 945775317 /nfs/dbraw/zinc/77/53/17/945775317.db2.gz VFKIJWCJZXYIDJ-IUODEOHRSA-N -1 1 386.460 1.265 20 0 GDADMM CCO[C@@H]1CN(C(=O)C2(CC)CC2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571279346 945775699 /nfs/dbraw/zinc/77/56/99/945775699.db2.gz VIUPYGYAFWOPCZ-CHWSQXEVSA-N -1 1 386.460 1.122 20 0 GDADMM CCO[C@@H]1CN(C(=O)C2(CC)CC2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571279346 945775706 /nfs/dbraw/zinc/77/57/06/945775706.db2.gz VIUPYGYAFWOPCZ-CHWSQXEVSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CO[C@@H](CCC(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001571280002 945793630 /nfs/dbraw/zinc/79/36/30/945793630.db2.gz ZDCCIAAUSVYGGL-OLZOCXBDSA-N -1 1 386.460 1.265 20 0 GDADMM CC1(C)CO[C@@H](CCC(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001571280002 945793632 /nfs/dbraw/zinc/79/36/32/945793632.db2.gz ZDCCIAAUSVYGGL-OLZOCXBDSA-N -1 1 386.460 1.265 20 0 GDADMM CC[C@@H]1CN(C(=O)C2CCOCC2)CC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571280039 945794351 /nfs/dbraw/zinc/79/43/51/945794351.db2.gz ZWEXLZCXNHYRNW-TZMCWYRMSA-N -1 1 386.460 1.122 20 0 GDADMM CC[C@@H]1CN(C(=O)C2CCOCC2)CC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571280039 945794358 /nfs/dbraw/zinc/79/43/58/945794358.db2.gz ZWEXLZCXNHYRNW-TZMCWYRMSA-N -1 1 386.460 1.122 20 0 GDADMM Cc1ncn(C)c1C(=O)N1CCC[C@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001571282222 945835028 /nfs/dbraw/zinc/83/50/28/945835028.db2.gz VBLZBNJYNCNKRT-NSHDSACASA-N -1 1 387.473 1.390 20 0 GDADMM Cc1nc(C)c(C(=O)N2CC[C@@H](N(C)c3snc(C)c3-c3nn[n-]n3)C2)[nH]1 ZINC001571282223 945836481 /nfs/dbraw/zinc/83/64/81/945836481.db2.gz VDTIDYFYPWQGRH-LLVKDONJSA-N -1 1 387.473 1.322 20 0 GDADMM CCn1ccnc1C(=O)N[C@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571282385 945843567 /nfs/dbraw/zinc/84/35/67/945843567.db2.gz WXQHJVQHRBQDLC-NSHDSACASA-N -1 1 387.473 1.247 20 0 GDADMM CCCc1n[nH]cc1C(=O)N1CC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571282443 945848133 /nfs/dbraw/zinc/84/81/33/945848133.db2.gz YORGBFYGNFCXLV-SNVBAGLBSA-N -1 1 387.473 1.634 20 0 GDADMM CCn1cc(Cl)cc1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571283548 945885979 /nfs/dbraw/zinc/88/59/79/945885979.db2.gz GFWGERKNCPTNFI-LLVKDONJSA-N -1 1 387.835 1.140 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(Cl)[nH]2)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571283941 945892190 /nfs/dbraw/zinc/89/21/90/945892190.db2.gz LJMRDXGJHWXRMN-ZJUUUORDSA-N -1 1 387.835 1.601 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(Cl)[nH]2)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571283941 945892203 /nfs/dbraw/zinc/89/22/03/945892203.db2.gz LJMRDXGJHWXRMN-ZJUUUORDSA-N -1 1 387.835 1.601 20 0 GDADMM Cc1nsc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2C(C)(C)C)c1-c1nn[n-]n1 ZINC001571284391 945900682 /nfs/dbraw/zinc/90/06/82/945900682.db2.gz PLGREJVXKMMZDG-DIACKHNESA-N -1 1 387.513 1.865 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](CNC(=O)c3ccc(F)s3)C2)n1 ZINC001571286476 945947960 /nfs/dbraw/zinc/94/79/60/945947960.db2.gz IYWKUNXONUEXMA-SNVBAGLBSA-N -1 1 388.432 1.422 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](CNC(=O)c3ccc(F)s3)C2)n1 ZINC001571286476 945947962 /nfs/dbraw/zinc/94/79/62/945947962.db2.gz IYWKUNXONUEXMA-SNVBAGLBSA-N -1 1 388.432 1.422 20 0 GDADMM CC1(C)CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1NC(=O)c1ccc(F)s1 ZINC001571286734 945957030 /nfs/dbraw/zinc/95/70/30/945957030.db2.gz QAEBKCPLJUCJKZ-NSHDSACASA-N -1 1 388.432 1.502 20 0 GDADMM CC1(C)CN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1NC(=O)c1ccc(F)s1 ZINC001571286734 945957041 /nfs/dbraw/zinc/95/70/41/945957041.db2.gz QAEBKCPLJUCJKZ-NSHDSACASA-N -1 1 388.432 1.502 20 0 GDADMM O=C(c1ccc2c(c1)CCC=C2)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571287987 945980385 /nfs/dbraw/zinc/98/03/85/945980385.db2.gz KRCBJDZGHRTGFG-UHFFFAOYSA-N -1 1 388.435 1.579 20 0 GDADMM O=C(c1ccc2c(c1)CCC=C2)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571287987 945980393 /nfs/dbraw/zinc/98/03/93/945980393.db2.gz KRCBJDZGHRTGFG-UHFFFAOYSA-N -1 1 388.435 1.579 20 0 GDADMM O=C(c1ccc(F)s1)N1CC[C@@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571289192 945997522 /nfs/dbraw/zinc/99/75/22/945997522.db2.gz WWWYBKDTTPLCIR-SNVBAGLBSA-N -1 1 388.432 1.822 20 0 GDADMM O=C(c1ccc(F)s1)N1CC[C@@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571289192 945997526 /nfs/dbraw/zinc/99/75/26/945997526.db2.gz WWWYBKDTTPLCIR-SNVBAGLBSA-N -1 1 388.432 1.822 20 0 GDADMM Cc1nc(C(=O)N[C@H]2CC[C@@H](C)N(c3snc(C)c3-c3nn[n-]n3)C2)co1 ZINC001571289415 946007103 /nfs/dbraw/zinc/00/71/03/946007103.db2.gz CKWJVQGKZNBMST-KCJUWKMLSA-N -1 1 388.457 1.715 20 0 GDADMM CCO[C@@H]1CN(C(=O)C(CC)CC)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571289535 946008878 /nfs/dbraw/zinc/00/88/78/946008878.db2.gz GYKLIPZKYBKBMS-ZIAGYGMSSA-N -1 1 388.476 1.368 20 0 GDADMM CCO[C@@H]1CN(C(=O)C(CC)CC)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571289535 946008887 /nfs/dbraw/zinc/00/88/87/946008887.db2.gz GYKLIPZKYBKBMS-ZIAGYGMSSA-N -1 1 388.476 1.368 20 0 GDADMM Cc1nsc(N[C@@H]2CN(C(=O)CCc3ccon3)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571289536 946009928 /nfs/dbraw/zinc/00/99/28/946009928.db2.gz HBJVLAUAWNISPY-BXKDBHETSA-N -1 1 388.457 1.511 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)C2CCC(F)CC2)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571289708 946014139 /nfs/dbraw/zinc/01/41/39/946014139.db2.gz KSXHPIPQZVAABH-NSOJWWLLSA-N -1 1 388.451 1.659 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)C2CCC(F)CC2)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571289708 946014146 /nfs/dbraw/zinc/01/41/46/946014146.db2.gz KSXHPIPQZVAABH-NSOJWWLLSA-N -1 1 388.451 1.659 20 0 GDADMM CCc1nc(N[C@H]2CCN(C(=O)CC(C)(C)O)[C@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001571289834 946021334 /nfs/dbraw/zinc/02/13/34/946021334.db2.gz NORCLRWHONSGME-NEPJUHHUSA-N -1 1 388.476 1.172 20 0 GDADMM CCc1nc(N[C@H]2CCN(C(=O)CC(C)(C)O)[C@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001571289834 946021339 /nfs/dbraw/zinc/02/13/39/946021339.db2.gz NORCLRWHONSGME-NEPJUHHUSA-N -1 1 388.476 1.172 20 0 GDADMM Cc1nc(C)c(C(=O)N(C)[C@H]2CCN(c3snc(C)c3-c3nn[n-]n3)C2)o1 ZINC001571290034 946025022 /nfs/dbraw/zinc/02/50/22/946025022.db2.gz SYURWVMEEJGDPB-NSHDSACASA-N -1 1 388.457 1.587 20 0 GDADMM C[C@H]1C[C@H](NC(=O)c2ccoc2Cl)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571290513 946043686 /nfs/dbraw/zinc/04/36/86/946043686.db2.gz HSCDDPNIRWUWTE-VHSXEESVSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@H]1C[C@H](NC(=O)c2ccoc2Cl)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571290513 946043695 /nfs/dbraw/zinc/04/36/95/946043695.db2.gz HSCDDPNIRWUWTE-VHSXEESVSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@@H]1C[C@@H](NC(=O)c2ccoc2Cl)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571290514 946045068 /nfs/dbraw/zinc/04/50/68/946045068.db2.gz HSCDDPNIRWUWTE-ZJUUUORDSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@@H]1C[C@@H](NC(=O)c2ccoc2Cl)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571290514 946045083 /nfs/dbraw/zinc/04/50/83/946045083.db2.gz HSCDDPNIRWUWTE-ZJUUUORDSA-N -1 1 388.819 1.690 20 0 GDADMM CC1(NC(=O)c2ccoc2Cl)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571290594 946047814 /nfs/dbraw/zinc/04/78/14/946047814.db2.gz JOUSGDVRSNJAGI-UHFFFAOYSA-N -1 1 388.819 1.692 20 0 GDADMM CC1(NC(=O)c2ccoc2Cl)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571290594 946047827 /nfs/dbraw/zinc/04/78/27/946047827.db2.gz JOUSGDVRSNJAGI-UHFFFAOYSA-N -1 1 388.819 1.692 20 0 GDADMM O=C(c1ccc(Cl)c(F)c1)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571290536 946048282 /nfs/dbraw/zinc/04/82/82/946048282.db2.gz IICGFYKFVNMNOO-JTQLQIEISA-N -1 1 388.794 1.776 20 0 GDADMM O=C(c1ccc(Cl)c(F)c1)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571290536 946048293 /nfs/dbraw/zinc/04/82/93/946048293.db2.gz IICGFYKFVNMNOO-JTQLQIEISA-N -1 1 388.794 1.776 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(Cl)o2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571290622 946049989 /nfs/dbraw/zinc/04/99/89/946049989.db2.gz KKSJJSXWWDDODN-UWVGGRQHSA-N -1 1 388.819 1.723 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(Cl)o2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571290622 946050002 /nfs/dbraw/zinc/05/00/02/946050002.db2.gz KKSJJSXWWDDODN-UWVGGRQHSA-N -1 1 388.819 1.723 20 0 GDADMM Cc1nsc(N[C@@H](C)[C@@H]2CCCCN2C(=O)c2cnon2)c1-c1nn[n-]n1 ZINC001571293378 946104173 /nfs/dbraw/zinc/10/41/73/946104173.db2.gz GRBWMZPKUKAWJF-KWQFWETISA-N -1 1 389.445 1.510 20 0 GDADMM Cc1cc(C(F)F)oc1C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571294262 946130270 /nfs/dbraw/zinc/13/02/70/946130270.db2.gz CRRVRTKUBDTUCG-SECBINFHSA-N -1 1 390.354 1.822 20 0 GDADMM Cc1cc(C(F)F)oc1C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571294262 946130278 /nfs/dbraw/zinc/13/02/78/946130278.db2.gz CRRVRTKUBDTUCG-SECBINFHSA-N -1 1 390.354 1.822 20 0 GDADMM Cc1nsc(N2CC[C@@H](N(C)C(=O)Cc3ccsc3)C2)c1-c1nn[n-]n1 ZINC001571294496 946136240 /nfs/dbraw/zinc/13/62/40/946136240.db2.gz HQOAWZFPSSZNMW-GFCCVEGCSA-N -1 1 389.510 1.973 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N(Cc2ccccc2)C[C@H]2CCCO2)n1 ZINC000822605027 946136423 /nfs/dbraw/zinc/13/64/23/946136423.db2.gz VFUVFKNEDGLPKH-CQSZACIVSA-N -1 1 382.428 1.813 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N(Cc2ccccc2)C[C@H]2CCCO2)n1 ZINC000822605027 946136426 /nfs/dbraw/zinc/13/64/26/946136426.db2.gz VFUVFKNEDGLPKH-CQSZACIVSA-N -1 1 382.428 1.813 20 0 GDADMM O=C(c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1)N1CC[C@@H](c2ncccn2)C1 ZINC001571295312 946158846 /nfs/dbraw/zinc/15/88/46/946158846.db2.gz XQEYXJDMFIZHJN-SECBINFHSA-N -1 1 390.329 1.700 20 0 GDADMM O=C(N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)[C@@H]1CCc2ccccc2C1 ZINC001571297853 946199638 /nfs/dbraw/zinc/19/96/38/946199638.db2.gz BHNPYBZQSDOGRC-HZPDHXFCSA-N -1 1 390.451 1.157 20 0 GDADMM O=C(N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cccc(C2CC2)c1 ZINC001571297980 946201815 /nfs/dbraw/zinc/20/18/15/946201815.db2.gz GISRZLQSNSFJBQ-INIZCTEOSA-N -1 1 390.451 1.933 20 0 GDADMM O=C(N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cccc(C2CC2)c1 ZINC001571297980 946201825 /nfs/dbraw/zinc/20/18/25/946201825.db2.gz GISRZLQSNSFJBQ-INIZCTEOSA-N -1 1 390.451 1.933 20 0 GDADMM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1(c2ccccc2)CCC1 ZINC001571298028 946203012 /nfs/dbraw/zinc/20/30/12/946203012.db2.gz HPGPMZAKYMIIRA-HNNXBMFYSA-N -1 1 390.451 1.474 20 0 GDADMM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1(c2ccccc2)CCC1 ZINC001571298028 946203018 /nfs/dbraw/zinc/20/30/18/946203018.db2.gz HPGPMZAKYMIIRA-HNNXBMFYSA-N -1 1 390.451 1.474 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001571298189 946208559 /nfs/dbraw/zinc/20/85/59/946208559.db2.gz BSSYQDHVFYAQRE-GUSZCTEKSA-N -1 1 390.451 1.686 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001571298189 946208568 /nfs/dbraw/zinc/20/85/68/946208568.db2.gz BSSYQDHVFYAQRE-GUSZCTEKSA-N -1 1 390.451 1.686 20 0 GDADMM C[C@@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)c1csc(Cl)c1 ZINC001571298607 946222311 /nfs/dbraw/zinc/22/23/11/946222311.db2.gz BNNWPVVVNZPBFF-PSASIEDQSA-N -1 1 390.860 1.509 20 0 GDADMM Cc1cccc([C@H](C)C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)c1 ZINC001571298684 946223957 /nfs/dbraw/zinc/22/39/57/946223957.db2.gz JEWGDYAMNQSEDF-CTNYNGJSSA-N -1 1 390.451 1.320 20 0 GDADMM Cc1cccc([C@H](C)C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]32)c1 ZINC001571298684 946223962 /nfs/dbraw/zinc/22/39/62/946223962.db2.gz JEWGDYAMNQSEDF-CTNYNGJSSA-N -1 1 390.451 1.320 20 0 GDADMM CN(C(=O)c1ccncc1)[C@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571298732 946227896 /nfs/dbraw/zinc/22/78/96/946227896.db2.gz CRFPTSQKWYVLBO-JTQLQIEISA-N -1 1 390.860 1.723 20 0 GDADMM CN(C(=O)c1ccncc1)[C@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571298732 946227902 /nfs/dbraw/zinc/22/79/02/946227902.db2.gz CRFPTSQKWYVLBO-JTQLQIEISA-N -1 1 390.860 1.723 20 0 GDADMM CC1(NC(=O)[C@@H]2Cc3ccccc32)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571298999 946234640 /nfs/dbraw/zinc/23/46/40/946234640.db2.gz NBEJWPFSVWXLBQ-OAHLLOKOSA-N -1 1 390.451 1.472 20 0 GDADMM CC1(NC(=O)[C@@H]2Cc3ccccc32)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571298999 946234646 /nfs/dbraw/zinc/23/46/46/946234646.db2.gz NBEJWPFSVWXLBQ-OAHLLOKOSA-N -1 1 390.451 1.472 20 0 GDADMM CN(c1nccnc1-c1nnn[n-]1)[C@H]1CCN(C(=O)c2cscc2Cl)C1 ZINC001571299348 946249850 /nfs/dbraw/zinc/24/98/50/946249850.db2.gz LHXDTZDPJGDKDL-VIFPVBQESA-N -1 1 390.860 1.723 20 0 GDADMM CN(c1nccnc1-c1nn[n-]n1)[C@H]1CCN(C(=O)c2cscc2Cl)C1 ZINC001571299348 946249858 /nfs/dbraw/zinc/24/98/58/946249858.db2.gz LHXDTZDPJGDKDL-VIFPVBQESA-N -1 1 390.860 1.723 20 0 GDADMM Cc1cccnc1C(=O)N1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)CC1 ZINC001571299690 946259550 /nfs/dbraw/zinc/25/95/50/946259550.db2.gz OPGQRCJRRDGDDW-UHFFFAOYSA-N -1 1 390.860 1.642 20 0 GDADMM Cc1cccnc1C(=O)N1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)CC1 ZINC001571299690 946259562 /nfs/dbraw/zinc/25/95/62/946259562.db2.gz OPGQRCJRRDGDDW-UHFFFAOYSA-N -1 1 390.860 1.642 20 0 GDADMM Cc1cccc(C(=O)N2CCC[C@H]3[C@@H]2CCN3c2cnc(-c3nnn[n-]3)cn2)c1 ZINC001571299841 946264868 /nfs/dbraw/zinc/26/48/68/946264868.db2.gz WKTJFSLHCURACU-IRXDYDNUSA-N -1 1 390.451 1.849 20 0 GDADMM Cc1cccc(C(=O)N2CCC[C@H]3[C@@H]2CCN3c2cnc(-c3nn[n-]n3)cn2)c1 ZINC001571299841 946264877 /nfs/dbraw/zinc/26/48/77/946264877.db2.gz WKTJFSLHCURACU-IRXDYDNUSA-N -1 1 390.451 1.849 20 0 GDADMM Cc1ccc(CC(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)cc1C ZINC001571300040 946268869 /nfs/dbraw/zinc/26/88/69/946268869.db2.gz YYCVMPYLXYIDDQ-QWHZDKJVSA-N -1 1 390.451 1.067 20 0 GDADMM Cc1ccc(CC(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)cc1C ZINC001571300040 946268881 /nfs/dbraw/zinc/26/88/81/946268881.db2.gz YYCVMPYLXYIDDQ-QWHZDKJVSA-N -1 1 390.451 1.067 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](NC(=O)[C@H]3Cc4ccccc43)C2)n1 ZINC001571300053 946270246 /nfs/dbraw/zinc/27/02/46/946270246.db2.gz ZGJWUQPBPNMVBF-HOCLYGCPSA-N -1 1 390.451 1.390 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](NC(=O)[C@H]3Cc4ccccc43)C2)n1 ZINC001571300053 946270256 /nfs/dbraw/zinc/27/02/56/946270256.db2.gz ZGJWUQPBPNMVBF-HOCLYGCPSA-N -1 1 390.451 1.390 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(Cl)s2)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571300162 946273742 /nfs/dbraw/zinc/27/37/42/946273742.db2.gz VWGQFNOZGCAOKY-BDAKNGLRSA-N -1 1 390.860 1.944 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(Cl)s2)C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571300162 946273755 /nfs/dbraw/zinc/27/37/55/946273755.db2.gz VWGQFNOZGCAOKY-BDAKNGLRSA-N -1 1 390.860 1.944 20 0 GDADMM O=C(Cc1ccc(Cl)s1)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571300256 946277614 /nfs/dbraw/zinc/27/76/14/946277614.db2.gz XWXXFHKPPFNYTM-SECBINFHSA-N -1 1 390.860 1.309 20 0 GDADMM CN(C(=O)c1cc(Cl)cs1)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571300297 946277984 /nfs/dbraw/zinc/27/79/84/946277984.db2.gz ZAHGSVFRBJVEMV-JTQLQIEISA-N -1 1 390.860 1.723 20 0 GDADMM CN(C(=O)c1cc(Cl)cs1)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571300297 946277996 /nfs/dbraw/zinc/27/79/96/946277996.db2.gz ZAHGSVFRBJVEMV-JTQLQIEISA-N -1 1 390.860 1.723 20 0 GDADMM C[C@@H]1CN(C(=O)c2cscc2Cl)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571300289 946278760 /nfs/dbraw/zinc/27/87/60/946278760.db2.gz YXDGOLLCTSYXKS-PRHODGIISA-N -1 1 390.860 1.944 20 0 GDADMM C[C@@H]1CN(C(=O)c2cscc2Cl)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571300289 946278770 /nfs/dbraw/zinc/27/87/70/946278770.db2.gz YXDGOLLCTSYXKS-PRHODGIISA-N -1 1 390.860 1.944 20 0 GDADMM O=C(N[C@@H]1CC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@H]2C1)c1ccccn1 ZINC001571302591 946307685 /nfs/dbraw/zinc/30/76/85/946307685.db2.gz CAZZTKNSNUUYKP-HZSPNIEDSA-N -1 1 391.439 1.087 20 0 GDADMM O=C(N[C@@H]1CC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@H]2C1)c1ccccn1 ZINC001571302591 946307694 /nfs/dbraw/zinc/30/76/94/946307694.db2.gz CAZZTKNSNUUYKP-HZSPNIEDSA-N -1 1 391.439 1.087 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@H]3[C@H](CCN3c3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571302822 946314612 /nfs/dbraw/zinc/31/46/12/946314612.db2.gz GPPMCKFXPOFJLQ-HIFRSBDPSA-N -1 1 391.439 1.101 20 0 GDADMM Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001571302800 946316120 /nfs/dbraw/zinc/31/61/20/946316120.db2.gz CQPJUASETMEKPM-QGZVFWFLSA-N -1 1 391.435 1.378 20 0 GDADMM Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001571302800 946316128 /nfs/dbraw/zinc/31/61/28/946316128.db2.gz CQPJUASETMEKPM-QGZVFWFLSA-N -1 1 391.435 1.378 20 0 GDADMM Cc1ccc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)c(C2CC2)n1 ZINC001571303637 946343125 /nfs/dbraw/zinc/34/31/25/946343125.db2.gz UTCSVYLEBCBQDM-UHFFFAOYSA-N -1 1 391.439 1.200 20 0 GDADMM Cc1ccc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)c(C2CC2)n1 ZINC001571303637 946343138 /nfs/dbraw/zinc/34/31/38/946343138.db2.gz UTCSVYLEBCBQDM-UHFFFAOYSA-N -1 1 391.439 1.200 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1)c1cccnc1 ZINC001571303952 946351768 /nfs/dbraw/zinc/35/17/68/946351768.db2.gz TWNVCKBCXQJKJX-MEWXFMAXSA-N -1 1 391.439 1.081 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1)c1cccnc1 ZINC001571303952 946351778 /nfs/dbraw/zinc/35/17/78/946351778.db2.gz TWNVCKBCXQJKJX-MEWXFMAXSA-N -1 1 391.439 1.081 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC3(C[C@@H]3NC(=O)c3ccncc3)CC2)n1 ZINC001571304121 946357481 /nfs/dbraw/zinc/35/74/81/946357481.db2.gz YJYLSLBHYLMHLZ-HNNXBMFYSA-N -1 1 391.439 1.149 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC3(C[C@@H]3NC(=O)c3ccncc3)CC2)n1 ZINC001571304121 946357490 /nfs/dbraw/zinc/35/74/90/946357490.db2.gz YJYLSLBHYLMHLZ-HNNXBMFYSA-N -1 1 391.439 1.149 20 0 GDADMM CCc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nnn[n-]3)cn2)n1 ZINC001571304119 946357553 /nfs/dbraw/zinc/35/75/53/946357553.db2.gz YIJHRNHQNJBSOQ-XPKDYRNWSA-N -1 1 391.439 1.154 20 0 GDADMM CCc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nn[n-]n3)cn2)n1 ZINC001571304119 946357564 /nfs/dbraw/zinc/35/75/64/946357564.db2.gz YIJHRNHQNJBSOQ-XPKDYRNWSA-N -1 1 391.439 1.154 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC3(C[C@H]3NC(=O)c3ccncc3)CC2)n1 ZINC001571304122 946357896 /nfs/dbraw/zinc/35/78/96/946357896.db2.gz YJYLSLBHYLMHLZ-OAHLLOKOSA-N -1 1 391.439 1.149 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC3(C[C@H]3NC(=O)c3ccncc3)CC2)n1 ZINC001571304122 946357905 /nfs/dbraw/zinc/35/79/05/946357905.db2.gz YJYLSLBHYLMHLZ-OAHLLOKOSA-N -1 1 391.439 1.149 20 0 GDADMM Cc1nsc(N2CC[C@H](NC(=O)C3CCOCC3)C[C@@H]2C)c1-c1nn[n-]n1 ZINC001571305455 946362699 /nfs/dbraw/zinc/36/26/99/946362699.db2.gz BSIZDCICMCBMGF-GWCFXTLKSA-N -1 1 391.501 1.532 20 0 GDADMM Cc1nsc(N[C@H](C)[C@@H]2CCN(C(=O)CC3(O)CCC3)C2)c1-c1nn[n-]n1 ZINC001571305602 946370753 /nfs/dbraw/zinc/37/07/53/946370753.db2.gz HAEALIVZENUIOP-ZYHUDNBSSA-N -1 1 391.501 1.586 20 0 GDADMM O=C(c1cccnn1)N1CCC[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571305804 946374418 /nfs/dbraw/zinc/37/44/18/946374418.db2.gz KIKOTBGEQIUBLC-MRVPVSSYSA-N -1 1 391.848 1.483 20 0 GDADMM O=C(c1cccnn1)N1CCC[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571305804 946374430 /nfs/dbraw/zinc/37/44/30/946374430.db2.gz KIKOTBGEQIUBLC-MRVPVSSYSA-N -1 1 391.848 1.483 20 0 GDADMM O=C(c1scnc1Cl)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001571305816 946375140 /nfs/dbraw/zinc/37/51/40/946375140.db2.gz KTQKVYSKVADJLB-UHFFFAOYSA-N -1 1 391.848 1.483 20 0 GDADMM O=C(c1scnc1Cl)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001571305816 946375150 /nfs/dbraw/zinc/37/51/50/946375150.db2.gz KTQKVYSKVADJLB-UHFFFAOYSA-N -1 1 391.848 1.483 20 0 GDADMM Cc1nsc(NC[C@@H]2CCN(C(=O)COC3CCCC3)C2)c1-c1nn[n-]n1 ZINC001571305855 946377467 /nfs/dbraw/zinc/37/74/67/946377467.db2.gz MAGQHZJQRTWGBH-LBPRGKRZSA-N -1 1 391.501 1.851 20 0 GDADMM Cc1nccc(C(=O)N2CC[C@@H](Nc3nc(-c4nn[n-]n4)c(Cl)s3)C2)n1 ZINC001571306085 946388394 /nfs/dbraw/zinc/38/83/94/946388394.db2.gz PFPLVHBNCYFWCM-MRVPVSSYSA-N -1 1 391.848 1.402 20 0 GDADMM CN(c1nc(-c2nn[n-]n2)c(Cl)s1)[C@H]1CCN(C(=O)c2ncccn2)C1 ZINC001571306173 946391004 /nfs/dbraw/zinc/39/10/04/946391004.db2.gz QINDPRQLISSPEN-QMMMGPOBSA-N -1 1 391.848 1.118 20 0 GDADMM C[C@H]1C[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)CN1C(=O)c1ncccn1 ZINC001571306169 946391825 /nfs/dbraw/zinc/39/18/25/946391825.db2.gz QFJMKODJYLQWFQ-YUMQZZPRSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1C[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)CN1C(=O)c1ncccn1 ZINC001571306169 946391838 /nfs/dbraw/zinc/39/18/38/946391838.db2.gz QFJMKODJYLQWFQ-YUMQZZPRSA-N -1 1 391.848 1.482 20 0 GDADMM CN(c1nc(-c2nn[n-]n2)c(Cl)s1)[C@@H]1CCN(C(=O)c2ncccn2)C1 ZINC001571306171 946392215 /nfs/dbraw/zinc/39/22/15/946392215.db2.gz QINDPRQLISSPEN-MRVPVSSYSA-N -1 1 391.848 1.118 20 0 GDADMM Cc1nsc(N[C@@H]2CCN(C(=O)CC[C@H]3CCCCO3)C2)c1-c1nn[n-]n1 ZINC001571306634 946407377 /nfs/dbraw/zinc/40/73/77/946407377.db2.gz YYSKOLAJPUHHOY-CHWSQXEVSA-N -1 1 391.501 1.994 20 0 GDADMM CO[C@H](C)C(=O)N1C[C@]2(C)CN(c3snc(C)c3-c3nn[n-]n3)C[C@]2(C)C1 ZINC001571306664 946408158 /nfs/dbraw/zinc/40/81/58/946408158.db2.gz ZIUKFBPNSOGABP-LQAWEQHXSA-N -1 1 391.501 1.341 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCN(C(=O)C3(C(C)(F)F)CC3)C2)n1 ZINC001571307587 946425259 /nfs/dbraw/zinc/42/52/59/946425259.db2.gz FSYFNBBJJNXPPJ-LLVKDONJSA-N -1 1 392.414 1.803 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCN(C(=O)C3(C(C)(F)F)CC3)C2)n1 ZINC001571307587 946425265 /nfs/dbraw/zinc/42/52/65/946425265.db2.gz FSYFNBBJJNXPPJ-LLVKDONJSA-N -1 1 392.414 1.803 20 0 GDADMM CN(c1nccnc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)C[C@@H]2CCCC2(F)F)C1 ZINC001571307904 946427432 /nfs/dbraw/zinc/42/74/32/946427432.db2.gz JLFLGQRNRNTPDE-NWDGAFQWSA-N -1 1 392.414 1.519 20 0 GDADMM CN(c1nccnc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)C[C@@H]2CCCC2(F)F)C1 ZINC001571307904 946427437 /nfs/dbraw/zinc/42/74/37/946427437.db2.gz JLFLGQRNRNTPDE-NWDGAFQWSA-N -1 1 392.414 1.519 20 0 GDADMM C[C@H]1CN(C(=O)C2CC(F)(F)C2)CC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571308053 946429304 /nfs/dbraw/zinc/42/93/04/946429304.db2.gz KSOVDWJNUSKPHH-WDEREUQCSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H]1CN(C(=O)C2CC(F)(F)C2)CC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571308053 946429312 /nfs/dbraw/zinc/42/93/12/946429312.db2.gz KSOVDWJNUSKPHH-WDEREUQCSA-N -1 1 392.414 1.599 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)[C@@H]1CCCC(F)(F)C1 ZINC001571309537 946446994 /nfs/dbraw/zinc/44/69/94/946446994.db2.gz CSMGYNIAWFEBTN-IJLUTSLNSA-N -1 1 392.414 1.789 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)[C@@H]1CCCC(F)(F)C1 ZINC001571309537 946446999 /nfs/dbraw/zinc/44/69/99/946446999.db2.gz CSMGYNIAWFEBTN-IJLUTSLNSA-N -1 1 392.414 1.789 20 0 GDADMM Cc1cccc2c1O[C@H](C(=O)N[C@H]1C[C@@H](Nc3nccnc3-c3nnn[n-]3)C1)C2 ZINC001571309632 946448866 /nfs/dbraw/zinc/44/88/66/946448866.db2.gz FWOGSSQRJKJYKW-MJBXVCDLSA-N -1 1 392.423 1.028 20 0 GDADMM Cc1cccc2c1O[C@H](C(=O)N[C@H]1C[C@@H](Nc3nccnc3-c3nn[n-]n3)C1)C2 ZINC001571309632 946448871 /nfs/dbraw/zinc/44/88/71/946448871.db2.gz FWOGSSQRJKJYKW-MJBXVCDLSA-N -1 1 392.423 1.028 20 0 GDADMM O=C(CC1CC(F)(F)C1)N1CC[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571309689 946451609 /nfs/dbraw/zinc/45/16/09/946451609.db2.gz HWKXRUQIBKOCKT-NSHDSACASA-N -1 1 392.414 1.743 20 0 GDADMM O=C(CC1CC(F)(F)C1)N1CC[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571309689 946451614 /nfs/dbraw/zinc/45/16/14/946451614.db2.gz HWKXRUQIBKOCKT-NSHDSACASA-N -1 1 392.414 1.743 20 0 GDADMM O=C(C[C@H]1OCc2ccccc21)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571309813 946455922 /nfs/dbraw/zinc/45/59/22/946455922.db2.gz LNULWOJXUAWTIL-XJKSGUPXSA-N -1 1 392.423 1.331 20 0 GDADMM O=C(C[C@H]1OCc2ccccc21)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571309813 946455931 /nfs/dbraw/zinc/45/59/31/946455931.db2.gz LNULWOJXUAWTIL-XJKSGUPXSA-N -1 1 392.423 1.331 20 0 GDADMM CC(C)[C@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1)c1ccccc1 ZINC001571310517 946474397 /nfs/dbraw/zinc/47/43/97/946474397.db2.gz ILNFDWCWKIZOOQ-INIZCTEOSA-N -1 1 392.467 1.745 20 0 GDADMM CC(C)[C@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1)c1ccccc1 ZINC001571310517 946474405 /nfs/dbraw/zinc/47/44/05/946474405.db2.gz ILNFDWCWKIZOOQ-INIZCTEOSA-N -1 1 392.467 1.745 20 0 GDADMM CC(C)(C)c1ccc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001571310996 946481197 /nfs/dbraw/zinc/48/11/97/946481197.db2.gz PGUKJJVOVGMTSW-HNNXBMFYSA-N -1 1 392.467 1.963 20 0 GDADMM CC(C)(C)c1ccc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001571310996 946481201 /nfs/dbraw/zinc/48/12/01/946481201.db2.gz PGUKJJVOVGMTSW-HNNXBMFYSA-N -1 1 392.467 1.963 20 0 GDADMM O=C(N[C@@H]1Cc2ccccc2[C@H]1Nc1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCCO1 ZINC001571312380 946489853 /nfs/dbraw/zinc/48/98/53/946489853.db2.gz BEBOWKKHMAGPBH-UKPHBRMFSA-N -1 1 392.423 1.030 20 0 GDADMM O=C(N[C@@H]1Cc2ccccc2[C@H]1Nc1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCCO1 ZINC001571312380 946489861 /nfs/dbraw/zinc/48/98/61/946489861.db2.gz BEBOWKKHMAGPBH-UKPHBRMFSA-N -1 1 392.423 1.030 20 0 GDADMM CCc1ccccc1CC(=O)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571312993 946508120 /nfs/dbraw/zinc/50/81/20/946508120.db2.gz HFHDXTQXOIVFPL-INIZCTEOSA-N -1 1 392.467 1.865 20 0 GDADMM CCc1ccccc1CC(=O)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571312993 946508126 /nfs/dbraw/zinc/50/81/26/946508126.db2.gz HFHDXTQXOIVFPL-INIZCTEOSA-N -1 1 392.467 1.865 20 0 GDADMM CCc1ccc(C(=O)N2CCC[C@H]2CN(C)c2cncc(-c3nnn[n-]3)n2)cc1 ZINC001571313316 946518584 /nfs/dbraw/zinc/51/85/84/946518584.db2.gz MIKVHWSPLXGETC-INIZCTEOSA-N -1 1 392.467 1.960 20 0 GDADMM CCc1ccc(C(=O)N2CCC[C@H]2CN(C)c2cncc(-c3nn[n-]n3)n2)cc1 ZINC001571313316 946518594 /nfs/dbraw/zinc/51/85/94/946518594.db2.gz MIKVHWSPLXGETC-INIZCTEOSA-N -1 1 392.467 1.960 20 0 GDADMM O=C(c1ccccc1O)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571313274 946518780 /nfs/dbraw/zinc/51/87/80/946518780.db2.gz PIQLNNGNGAGHAI-BETUJISGSA-N -1 1 392.423 1.246 20 0 GDADMM CCc1ccccc1CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001571313491 946523905 /nfs/dbraw/zinc/52/39/05/946523905.db2.gz QDDLITNPIGROFQ-CJNGLKHVSA-N -1 1 392.467 1.545 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N(C)[C@H]2CCN(C(=O)c3ccc(C)cc3)C2)n1 ZINC001571313507 946524804 /nfs/dbraw/zinc/52/48/04/946524804.db2.gz QMHPZGMCXZHWHF-HNNXBMFYSA-N -1 1 392.467 1.878 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N(C)[C@H]2CCN(C(=O)c3ccc(C)cc3)C2)n1 ZINC001571313507 946524813 /nfs/dbraw/zinc/52/48/13/946524813.db2.gz QMHPZGMCXZHWHF-HNNXBMFYSA-N -1 1 392.467 1.878 20 0 GDADMM CN(C[C@@H]1CCCCN1C(=O)Cc1ccccc1)c1cncc(-c2nnn[n-]2)n1 ZINC001571313638 946527622 /nfs/dbraw/zinc/52/76/22/946527622.db2.gz RVOIAVCKLAJBJC-INIZCTEOSA-N -1 1 392.467 1.717 20 0 GDADMM CN(C[C@@H]1CCCCN1C(=O)Cc1ccccc1)c1cncc(-c2nn[n-]n2)n1 ZINC001571313638 946527630 /nfs/dbraw/zinc/52/76/30/946527630.db2.gz RVOIAVCKLAJBJC-INIZCTEOSA-N -1 1 392.467 1.717 20 0 GDADMM Cc1ccc(C)c(C(=O)N[C@@H]2CC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571314904 946544227 /nfs/dbraw/zinc/54/42/27/946544227.db2.gz DDAXUVPWVMEFDP-HUUCEWRRSA-N -1 1 392.467 1.706 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@](C)(NC(=O)c3cccc(C)c3C)C2)n1 ZINC001571315438 946553563 /nfs/dbraw/zinc/55/35/63/946553563.db2.gz KTSSXCDLFQUUMW-FQEVSTJZSA-N -1 1 392.467 1.981 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@](C)(NC(=O)c3cccc(C)c3C)C2)n1 ZINC001571315438 946553573 /nfs/dbraw/zinc/55/35/73/946553573.db2.gz KTSSXCDLFQUUMW-FQEVSTJZSA-N -1 1 392.467 1.981 20 0 GDADMM Cc1ccc(C)c(C(=O)NC[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C)c1 ZINC001571316114 946566690 /nfs/dbraw/zinc/56/66/90/946566690.db2.gz UKJVSOVIPJANJE-HUUCEWRRSA-N -1 1 392.467 1.776 20 0 GDADMM Cc1ccccc1CC(=O)N1CC[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571316426 946576995 /nfs/dbraw/zinc/57/69/95/946576995.db2.gz CGMVNZCYYUZDRR-HNNXBMFYSA-N -1 1 392.467 1.280 20 0 GDADMM Cc1cccc(CCC(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@H]2C)c1 ZINC001571316892 946593611 /nfs/dbraw/zinc/59/36/11/946593611.db2.gz PCZIYXGBZXVQOE-ZBFHGGJFSA-N -1 1 392.467 1.999 20 0 GDADMM Cc1cccc(CCC(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@H]2C)c1 ZINC001571316892 946593618 /nfs/dbraw/zinc/59/36/18/946593618.db2.gz PCZIYXGBZXVQOE-ZBFHGGJFSA-N -1 1 392.467 1.999 20 0 GDADMM C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](CNC(=O)NCc1ccc(-c3nn[n-]n3)s1)O2 ZINC001571317594 946613254 /nfs/dbraw/zinc/61/32/54/946613254.db2.gz NWMRNCCKGNFVPD-XSLLRJJBSA-N -1 1 392.485 1.700 20 0 GDADMM CC(=O)NCc1cccc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)c1 ZINC001573537379 946747747 /nfs/dbraw/zinc/74/77/47/946747747.db2.gz LWQKZHPBSHRAGL-UHFFFAOYSA-N -1 1 382.428 1.707 20 0 GDADMM CC(=O)NCc1cccc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)c1 ZINC001573537379 946747757 /nfs/dbraw/zinc/74/77/57/946747757.db2.gz LWQKZHPBSHRAGL-UHFFFAOYSA-N -1 1 382.428 1.707 20 0 GDADMM CC[C@H]1CN(C(=O)C(C)C)CC[C@H]1NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825204908 947118530 /nfs/dbraw/zinc/11/85/30/947118530.db2.gz UBSOZUPYBPJMJG-QWHCGFSZSA-N -1 1 389.460 1.105 20 0 GDADMM CC[C@H]1CN(C(=O)C(C)C)CC[C@H]1NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825204908 947118538 /nfs/dbraw/zinc/11/85/38/947118538.db2.gz UBSOZUPYBPJMJG-QWHCGFSZSA-N -1 1 389.460 1.105 20 0 GDADMM CCN(CC)C(=O)C1(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)CCCCC1 ZINC000825399593 947175599 /nfs/dbraw/zinc/17/55/99/947175599.db2.gz YVRMAENGYUAKTL-UHFFFAOYSA-N -1 1 389.460 1.393 20 0 GDADMM CCN(CC)C(=O)C1(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)CCCCC1 ZINC000825399593 947175606 /nfs/dbraw/zinc/17/56/06/947175606.db2.gz YVRMAENGYUAKTL-UHFFFAOYSA-N -1 1 389.460 1.393 20 0 GDADMM CCN(CCNC(=O)Cc1noc(C)c1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC000825424825 947187047 /nfs/dbraw/zinc/18/70/47/947187047.db2.gz RNKLBZJKKXNPOQ-UHFFFAOYSA-N -1 1 379.421 1.079 20 0 GDADMM CCN(CCNC(=O)Cc1noc(C)c1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC000825424825 947187058 /nfs/dbraw/zinc/18/70/58/947187058.db2.gz RNKLBZJKKXNPOQ-UHFFFAOYSA-N -1 1 379.421 1.079 20 0 GDADMM CCOC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825493513 947205318 /nfs/dbraw/zinc/20/53/18/947205318.db2.gz MEVUYLQBDVKZEL-OAHLLOKOSA-N -1 1 398.423 1.338 20 0 GDADMM CCOC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825493513 947205328 /nfs/dbraw/zinc/20/53/28/947205328.db2.gz MEVUYLQBDVKZEL-OAHLLOKOSA-N -1 1 398.423 1.338 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)Nc2cc(Cl)ccc2C)c1-c1nn[n-]n1 ZINC000825565646 947224110 /nfs/dbraw/zinc/22/41/10/947224110.db2.gz XCFVKJZPURHLMG-UHFFFAOYSA-N -1 1 389.803 1.840 20 0 GDADMM C=C/C(C)=C\CC(=O)NCC1[C@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@@H]12 ZINC001573316059 947266415 /nfs/dbraw/zinc/26/64/15/947266415.db2.gz GCQVMGNWRZJARV-GJXLXSBRSA-N -1 1 380.456 1.286 20 0 GDADMM C=C/C(C)=C\CC(=O)NCC1[C@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@@H]12 ZINC001573316059 947266428 /nfs/dbraw/zinc/26/64/28/947266428.db2.gz GCQVMGNWRZJARV-GJXLXSBRSA-N -1 1 380.456 1.286 20 0 GDADMM CCc1cnc(N2CCN(C(=O)Cc3noc(C)c3-c3nnn[n-]3)CC2)s1 ZINC000825734241 947304215 /nfs/dbraw/zinc/30/42/15/947304215.db2.gz KDJSIWRABNIGLL-UHFFFAOYSA-N -1 1 388.457 1.073 20 0 GDADMM CCc1cnc(N2CCN(C(=O)Cc3noc(C)c3-c3nn[n-]n3)CC2)s1 ZINC000825734241 947304223 /nfs/dbraw/zinc/30/42/23/947304223.db2.gz KDJSIWRABNIGLL-UHFFFAOYSA-N -1 1 388.457 1.073 20 0 GDADMM CCc1cnccc1CNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000825739648 947307527 /nfs/dbraw/zinc/30/75/27/947307527.db2.gz HQDFHKCFLWBFIU-UHFFFAOYSA-N -1 1 381.440 1.791 20 0 GDADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCCO1 ZINC001573592944 947354994 /nfs/dbraw/zinc/35/49/94/947354994.db2.gz OOBPXPNKOSYVJE-OCCSQVGLSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCCO1 ZINC001573592944 947355002 /nfs/dbraw/zinc/35/50/02/947355002.db2.gz OOBPXPNKOSYVJE-OCCSQVGLSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@@H](C(=O)N(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)C(C)(F)F ZINC001573593625 947374191 /nfs/dbraw/zinc/37/41/91/947374191.db2.gz LCFGSNXIDCORER-CABZTGNLSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@@H](C(=O)N(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)C(C)(F)F ZINC001573593625 947374198 /nfs/dbraw/zinc/37/41/98/947374198.db2.gz LCFGSNXIDCORER-CABZTGNLSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@@H](C(=O)N(C)C1CC(Nc2nccnc2-c2nnn[n-]2)C1)c1cccs1 ZINC001573594541 947397590 /nfs/dbraw/zinc/39/75/90/947397590.db2.gz PWMXLHCTWAHGDI-VOMCLLRMSA-N -1 1 384.469 1.923 20 0 GDADMM C[C@@H](C(=O)N(C)C1CC(Nc2nccnc2-c2nn[n-]n2)C1)c1cccs1 ZINC001573594541 947397602 /nfs/dbraw/zinc/39/76/02/947397602.db2.gz PWMXLHCTWAHGDI-VOMCLLRMSA-N -1 1 384.469 1.923 20 0 GDADMM CO[C@@H]1[C@@H](C)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C1(C)C ZINC000826144525 947458185 /nfs/dbraw/zinc/45/81/85/947458185.db2.gz LWNACNWKHXVREO-BKDNQFJXSA-N -1 1 378.458 1.479 20 0 GDADMM CC(C)N(CCN(C)c1ccnc(-c2nn[n-]n2)n1)C(=O)[C@H](C)[C@@H]1CCCO1 ZINC001573603592 947491658 /nfs/dbraw/zinc/49/16/58/947491658.db2.gz IFSTVGRJQSSHRG-KGLIPLIRSA-N -1 1 388.476 1.145 20 0 GDADMM C[C@@H](C(=O)N(C)CCNc1snc(Cl)c1-c1nnn[n-]1)n1cccc1 ZINC001573603669 947495662 /nfs/dbraw/zinc/49/56/62/947495662.db2.gz JHRFSBUYMLGCJE-VIFPVBQESA-N -1 1 380.865 1.910 20 0 GDADMM C[C@@H](C(=O)N(C)CCNc1snc(Cl)c1-c1nn[n-]n1)n1cccc1 ZINC001573603669 947495686 /nfs/dbraw/zinc/49/56/86/947495686.db2.gz JHRFSBUYMLGCJE-VIFPVBQESA-N -1 1 380.865 1.910 20 0 GDADMM C[C@H](C(=O)N1CCC(CCN(C)c2cnc(-c3nnn[n-]3)cn2)CC1)C1CC1 ZINC001573614172 947577268 /nfs/dbraw/zinc/57/72/68/947577268.db2.gz CPDGZFNUVGVNKB-ZDUSSCGKSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](C(=O)N1CCC(CCN(C)c2cnc(-c3nn[n-]n3)cn2)CC1)C1CC1 ZINC001573614172 947577272 /nfs/dbraw/zinc/57/72/72/947577272.db2.gz CPDGZFNUVGVNKB-ZDUSSCGKSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CN(C)c2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001573614763 947590636 /nfs/dbraw/zinc/59/06/36/947590636.db2.gz GXGHMXDWMBPOMY-NXEZZACHSA-N -1 1 384.366 1.140 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CN(C)c2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001573614763 947590643 /nfs/dbraw/zinc/59/06/43/947590643.db2.gz GXGHMXDWMBPOMY-NXEZZACHSA-N -1 1 384.366 1.140 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@](C)(CNc2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001573615226 947601231 /nfs/dbraw/zinc/60/12/31/947601231.db2.gz JHZXMOZCYIONBN-UGSOOPFHSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@](C)(CNc2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001573615226 947601236 /nfs/dbraw/zinc/60/12/36/947601236.db2.gz JHZXMOZCYIONBN-UGSOOPFHSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CN(C)c2ccnc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573615949 947615090 /nfs/dbraw/zinc/61/50/90/947615090.db2.gz LGJINBXKAQFJGV-GHMZBOCLSA-N -1 1 380.403 1.233 20 0 GDADMM C=Cc1ccc(C(=O)N2CCO[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001573354582 947633975 /nfs/dbraw/zinc/63/39/75/947633975.db2.gz DMOXTFCEQWBGCU-HNNXBMFYSA-N -1 1 392.423 1.253 20 0 GDADMM C=Cc1ccc(C(=O)N2CCO[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001573354582 947633982 /nfs/dbraw/zinc/63/39/82/947633982.db2.gz DMOXTFCEQWBGCU-HNNXBMFYSA-N -1 1 392.423 1.253 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@]2(C)CCN(c3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573355390 947643400 /nfs/dbraw/zinc/64/34/00/947643400.db2.gz PBEZFYKZFXNZHQ-IBGZPJMESA-N -1 1 376.424 1.699 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1ccsc1 ZINC001573618409 947650588 /nfs/dbraw/zinc/65/05/88/947650588.db2.gz RWEOJJGPJCGTND-VXGBXAGGSA-N -1 1 384.469 1.204 20 0 GDADMM COc1ccccc1N1CC[C@H](NC(=O)Cc2noc(C)c2-c2nnn[n-]2)C1 ZINC000826220357 947655081 /nfs/dbraw/zinc/65/50/81/947655081.db2.gz LFZYLTBMHJELMQ-LBPRGKRZSA-N -1 1 383.412 1.109 20 0 GDADMM COc1ccccc1N1CC[C@H](NC(=O)Cc2noc(C)c2-c2nn[n-]n2)C1 ZINC000826220357 947655086 /nfs/dbraw/zinc/65/50/86/947655086.db2.gz LFZYLTBMHJELMQ-LBPRGKRZSA-N -1 1 383.412 1.109 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001573358223 947659077 /nfs/dbraw/zinc/65/90/77/947659077.db2.gz CJVCNMSHKKPGEQ-OTVXOJSOSA-N -1 1 376.424 1.920 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001573358223 947659081 /nfs/dbraw/zinc/65/90/81/947659081.db2.gz CJVCNMSHKKPGEQ-OTVXOJSOSA-N -1 1 376.424 1.920 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCCc2ccc(CO)cc2)cc1-c1nn[n-]n1 ZINC000826229557 947671836 /nfs/dbraw/zinc/67/18/36/947671836.db2.gz ITDLPTHPALYAJU-UHFFFAOYSA-N -1 1 386.437 1.154 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCC2([C@H](C)CCO)CCC2)cc1-c1nn[n-]n1 ZINC000826229486 947672102 /nfs/dbraw/zinc/67/21/02/947672102.db2.gz GGWJXIFPCBODJP-SNVBAGLBSA-N -1 1 392.485 1.608 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCc1nnc(C(C)C)n1C ZINC000826232642 947683058 /nfs/dbraw/zinc/68/30/58/947683058.db2.gz BFRMAOBQCVZRMD-UHFFFAOYSA-N -1 1 399.459 1.085 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@@H](C)N(CC)c2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001573359663 947687650 /nfs/dbraw/zinc/68/76/50/947687650.db2.gz XCZGFXOQVCHXMK-CYBMUJFWSA-N -1 1 378.440 1.945 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@@H](C)N(CC)c2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001573359663 947687656 /nfs/dbraw/zinc/68/76/56/947687656.db2.gz XCZGFXOQVCHXMK-CYBMUJFWSA-N -1 1 378.440 1.945 20 0 GDADMM C[C@H](C(=O)N1CCC(c2nc(C3CCC3)no2)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001573623454 947688292 /nfs/dbraw/zinc/68/82/92/947688292.db2.gz FXPMUIYGWGDDOJ-SNVBAGLBSA-N -1 1 398.431 1.076 20 0 GDADMM C/C(=C\C(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2)C1CC1 ZINC001573361672 947693397 /nfs/dbraw/zinc/69/33/97/947693397.db2.gz DOPKJLBDMXCJFH-IEZBTEQYSA-N -1 1 380.456 1.488 20 0 GDADMM C/C(=C\C(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2)C1CC1 ZINC001573361672 947693403 /nfs/dbraw/zinc/69/34/03/947693403.db2.gz DOPKJLBDMXCJFH-IEZBTEQYSA-N -1 1 380.456 1.488 20 0 GDADMM C/C(=C\C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001573362394 947702547 /nfs/dbraw/zinc/70/25/47/947702547.db2.gz KEJIEVORERADCL-QVHFTPCNSA-N -1 1 380.456 1.583 20 0 GDADMM C/C(=C\C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001573362394 947702555 /nfs/dbraw/zinc/70/25/55/947702555.db2.gz KEJIEVORERADCL-QVHFTPCNSA-N -1 1 380.456 1.583 20 0 GDADMM CC(=O)[C@@H]1CC(C(=O)Nc2cccc(-c3nnn[n-]3)n2)=NN1c1ccccc1 ZINC001573365967 947736532 /nfs/dbraw/zinc/73/65/32/947736532.db2.gz OJXBRLROXXRHTN-HNNXBMFYSA-N -1 1 376.380 1.424 20 0 GDADMM CC(=O)[C@@H]1CC(C(=O)Nc2cccc(-c3nn[n-]n3)n2)=NN1c1ccccc1 ZINC001573365967 947736546 /nfs/dbraw/zinc/73/65/46/947736546.db2.gz OJXBRLROXXRHTN-HNNXBMFYSA-N -1 1 376.380 1.424 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]2[C@H]1CCN2c1cnc(-c2nnn[n-]2)cn1)C1CCC1 ZINC001573627855 947738520 /nfs/dbraw/zinc/73/85/20/947738520.db2.gz FXUOJWLZBVBDFD-VBNZEHGJSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]2[C@H]1CCN2c1cnc(-c2nn[n-]n2)cn1)C1CCC1 ZINC001573627855 947738531 /nfs/dbraw/zinc/73/85/31/947738531.db2.gz FXUOJWLZBVBDFD-VBNZEHGJSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001573627963 947740151 /nfs/dbraw/zinc/74/01/51/947740151.db2.gz DIPGOMDCGKINRF-UWVGGRQHSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573627963 947740156 /nfs/dbraw/zinc/74/01/56/947740156.db2.gz DIPGOMDCGKINRF-UWVGGRQHSA-N -1 1 384.366 1.506 20 0 GDADMM CC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(-c2nn[nH]n2)c1)c1ccccc1F ZINC001573367016 947752959 /nfs/dbraw/zinc/75/29/59/947752959.db2.gz VYIGLCHJHUNNJI-OAHLLOKOSA-N -1 1 375.385 1.614 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001573628322 947753558 /nfs/dbraw/zinc/75/35/58/947753558.db2.gz KTBVCJGSJNKIAM-WDEREUQCSA-N -1 1 380.403 1.163 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1)C(C)(F)F ZINC001573629015 947768682 /nfs/dbraw/zinc/76/86/82/947768682.db2.gz LNYWJFSTHYQYRF-APPDUMDISA-N -1 1 392.414 1.377 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1)C(C)(F)F ZINC001573629015 947768687 /nfs/dbraw/zinc/76/86/87/947768687.db2.gz LNYWJFSTHYQYRF-APPDUMDISA-N -1 1 392.414 1.377 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1)C1CCC1 ZINC001573629056 947771651 /nfs/dbraw/zinc/77/16/51/947771651.db2.gz LVSOPDUMLDSHPY-KBPBESRZSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1)C1CCC1 ZINC001573629056 947771655 /nfs/dbraw/zinc/77/16/55/947771655.db2.gz LVSOPDUMLDSHPY-KBPBESRZSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1)c1ccco1 ZINC001573629038 947771737 /nfs/dbraw/zinc/77/17/37/947771737.db2.gz QGALOUKOMXOBPS-CHWSQXEVSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1)c1ccco1 ZINC001573629038 947771741 /nfs/dbraw/zinc/77/17/41/947771741.db2.gz QGALOUKOMXOBPS-CHWSQXEVSA-N -1 1 382.428 1.846 20 0 GDADMM CC(C(=O)N1CCC[C@@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1)=C1CCC1 ZINC001573629310 947777448 /nfs/dbraw/zinc/77/74/48/947777448.db2.gz NXZNEXLOHUVYMD-AWEZNQCLSA-N -1 1 382.472 1.620 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1)n1cccc1 ZINC001573629402 947779083 /nfs/dbraw/zinc/77/90/83/947779083.db2.gz SYOTVPBHCUCKAA-KBPBESRZSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1)n1cccc1 ZINC001573629402 947779090 /nfs/dbraw/zinc/77/90/90/947779090.db2.gz SYOTVPBHCUCKAA-KBPBESRZSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1)n1cccc1 ZINC001573629403 947779568 /nfs/dbraw/zinc/77/95/68/947779568.db2.gz SYOTVPBHCUCKAA-KGLIPLIRSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1)n1cccc1 ZINC001573629403 947779575 /nfs/dbraw/zinc/77/95/75/947779575.db2.gz SYOTVPBHCUCKAA-KGLIPLIRSA-N -1 1 381.444 1.512 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@@H](CN(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573372839 947784256 /nfs/dbraw/zinc/78/42/56/947784256.db2.gz DOIUCIUAQBUOAD-AWEZNQCLSA-N -1 1 386.460 1.091 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@@H](CN(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573372839 947784260 /nfs/dbraw/zinc/78/42/60/947784260.db2.gz DOIUCIUAQBUOAD-AWEZNQCLSA-N -1 1 386.460 1.091 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)c1cccs1 ZINC001573630250 947790329 /nfs/dbraw/zinc/79/03/29/947790329.db2.gz XCJNCDVGUZTGTC-NEPJUHHUSA-N -1 1 384.469 1.347 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)c1cccs1 ZINC001573630252 947790895 /nfs/dbraw/zinc/79/08/95/947790895.db2.gz XCJNCDVGUZTGTC-RYUDHWBXSA-N -1 1 384.469 1.347 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)nn1)C(C)(C)C ZINC001573630521 947792913 /nfs/dbraw/zinc/79/29/13/947792913.db2.gz YJUHRNXNHFHWQU-SNPRPXQTSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)nn1)C(C)(C)C ZINC001573630521 947792923 /nfs/dbraw/zinc/79/29/23/947792923.db2.gz YJUHRNXNHFHWQU-SNPRPXQTSA-N -1 1 384.488 1.909 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CC[C@@H](C)N(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573373808 947800266 /nfs/dbraw/zinc/80/02/66/947800266.db2.gz FZAPFRYPHRWJKX-TZMCWYRMSA-N -1 1 386.460 1.198 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CC[C@@H](C)N(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573373808 947800271 /nfs/dbraw/zinc/80/02/71/947800271.db2.gz FZAPFRYPHRWJKX-TZMCWYRMSA-N -1 1 386.460 1.198 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573375134 947816569 /nfs/dbraw/zinc/81/65/69/947816569.db2.gz RGORQHYEBLBEHR-CQSZACIVSA-N -1 1 386.460 1.457 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573375134 947816574 /nfs/dbraw/zinc/81/65/74/947816574.db2.gz RGORQHYEBLBEHR-CQSZACIVSA-N -1 1 386.460 1.457 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1)C(C)(F)F ZINC001573637612 947819797 /nfs/dbraw/zinc/81/97/97/947819797.db2.gz KLPXWWZWYJDQOM-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1)C(C)(F)F ZINC001573637612 947819803 /nfs/dbraw/zinc/81/98/03/947819803.db2.gz KLPXWWZWYJDQOM-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM Cc1ccc(CN(CCO)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000826288210 947837348 /nfs/dbraw/zinc/83/73/48/947837348.db2.gz VWEMWQPOIBCFKG-UHFFFAOYSA-N -1 1 391.428 1.497 20 0 GDADMM C[C@@H](C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1)[C@H]1CCCO1 ZINC001573638339 947838651 /nfs/dbraw/zinc/83/86/51/947838651.db2.gz KOGIAAKRPPZQOU-TZMCWYRMSA-N -1 1 376.486 1.388 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C ZINC001573381329 947873354 /nfs/dbraw/zinc/87/33/54/947873354.db2.gz SXBVAYCCORTGRM-CQSZACIVSA-N -1 1 386.460 1.137 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C ZINC001573381329 947873360 /nfs/dbraw/zinc/87/33/60/947873360.db2.gz SXBVAYCCORTGRM-CQSZACIVSA-N -1 1 386.460 1.137 20 0 GDADMM C[C@H](C(=O)N1CC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)C1CCCC1 ZINC001573646477 947875342 /nfs/dbraw/zinc/87/53/42/947875342.db2.gz OMHDDXXHODZUTL-DUVNUKRYSA-N -1 1 382.472 1.520 20 0 GDADMM C[C@H](C(=O)N1CC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)C1CCCC1 ZINC001573646477 947875351 /nfs/dbraw/zinc/87/53/51/947875351.db2.gz OMHDDXXHODZUTL-DUVNUKRYSA-N -1 1 382.472 1.520 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001573646510 947876392 /nfs/dbraw/zinc/87/63/92/947876392.db2.gz PJXCIHFRWIAWSA-OASPWFOLSA-N -1 1 388.819 1.007 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cccnc1 ZINC001573647138 947883847 /nfs/dbraw/zinc/88/38/47/947883847.db2.gz CZLFZAFNPGILRI-TYNCELHUSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cccnc1 ZINC001573647138 947883851 /nfs/dbraw/zinc/88/38/51/947883851.db2.gz CZLFZAFNPGILRI-TYNCELHUSA-N -1 1 379.428 1.114 20 0 GDADMM CC(=O)CCCC(=O)NCC[C@@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573383520 947892271 /nfs/dbraw/zinc/89/22/71/947892271.db2.gz UWZBFLXLIYGNBJ-CQSZACIVSA-N -1 1 386.460 1.057 20 0 GDADMM CC(=O)CCCC(=O)NCC[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573383520 947892282 /nfs/dbraw/zinc/89/22/82/947892282.db2.gz UWZBFLXLIYGNBJ-CQSZACIVSA-N -1 1 386.460 1.057 20 0 GDADMM CC(=O)CCCC(=O)NCC[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573383459 947892482 /nfs/dbraw/zinc/89/24/82/947892482.db2.gz RIOCEHJJQIEGMD-ZDUSSCGKSA-N -1 1 391.501 1.724 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](CNc2nccnc2-c2nnn[n-]2)[C@H](C)C1)c1ccco1 ZINC001573647447 947895129 /nfs/dbraw/zinc/89/51/29/947895129.db2.gz LIDRXOZBGWXPHI-JHJVBQTASA-N -1 1 382.428 1.560 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](CNc2nccnc2-c2nn[n-]n2)[C@H](C)C1)c1ccco1 ZINC001573647447 947895139 /nfs/dbraw/zinc/89/51/39/947895139.db2.gz LIDRXOZBGWXPHI-JHJVBQTASA-N -1 1 382.428 1.560 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(CNc2cncc(-c3nnn[n-]3)n2)C1)C1CC1 ZINC001573647909 947903200 /nfs/dbraw/zinc/90/32/00/947903200.db2.gz VHNRXOMDWUGHGI-UHYGZKCKSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(CNc2cncc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001573647909 947903205 /nfs/dbraw/zinc/90/32/05/947903205.db2.gz VHNRXOMDWUGHGI-UHYGZKCKSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cccs1 ZINC001573648012 947905704 /nfs/dbraw/zinc/90/57/04/947905704.db2.gz WXXWJMHWCPOAOR-NQBHXWOUSA-N -1 1 384.469 1.781 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cccs1 ZINC001573648012 947905713 /nfs/dbraw/zinc/90/57/13/947905713.db2.gz WXXWJMHWCPOAOR-NQBHXWOUSA-N -1 1 384.469 1.781 20 0 GDADMM CC(C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@]2(C)C1)=C1CCC1 ZINC001573651182 947917485 /nfs/dbraw/zinc/91/74/85/947917485.db2.gz JQALCYWZUOYACU-KUHUBIRLSA-N -1 1 380.456 1.442 20 0 GDADMM CC(C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@]2(C)C1)=C1CCC1 ZINC001573651182 947917493 /nfs/dbraw/zinc/91/74/93/947917493.db2.gz JQALCYWZUOYACU-KUHUBIRLSA-N -1 1 380.456 1.442 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@@]2(C)C1)C1CCC1 ZINC001573652334 947936027 /nfs/dbraw/zinc/93/60/27/947936027.db2.gz XAJYCUBEOYKQRQ-CFZJUORYSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@]2(C)C1)C1CCC1 ZINC001573652334 947936033 /nfs/dbraw/zinc/93/60/33/947936033.db2.gz XAJYCUBEOYKQRQ-CFZJUORYSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C(C)(C)C)n1cccn1 ZINC001573652674 947944270 /nfs/dbraw/zinc/94/42/70/947944270.db2.gz GHRXIKQFRQBQNH-AAEUAGOBSA-N -1 1 384.448 1.057 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C(C)(C)C)n1cccn1 ZINC001573652674 947944276 /nfs/dbraw/zinc/94/42/76/947944276.db2.gz GHRXIKQFRQBQNH-AAEUAGOBSA-N -1 1 384.448 1.057 20 0 GDADMM Cc1nn(-c2ccccc2)c(COC(=O)c2ccncc2N)c1-c1nn[n-]n1 ZINC000826333045 947965943 /nfs/dbraw/zinc/96/59/43/947965943.db2.gz RLIFNTBGBXCDJR-UHFFFAOYSA-N -1 1 376.380 1.695 20 0 GDADMM Cc1onc(CC(=O)N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c1-c1nnn[n-]1 ZINC000826342965 947987170 /nfs/dbraw/zinc/98/71/70/947987170.db2.gz HHTQNRKAVAGTDQ-FLESLCNUSA-N -1 1 388.453 1.663 20 0 GDADMM Cc1onc(CC(=O)N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c1-c1nn[n-]n1 ZINC000826342965 947987177 /nfs/dbraw/zinc/98/71/77/947987177.db2.gz HHTQNRKAVAGTDQ-FLESLCNUSA-N -1 1 388.453 1.663 20 0 GDADMM C[C@@H](C(=O)NC1(C2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)CC1)C1CC1 ZINC001573656844 947995067 /nfs/dbraw/zinc/99/50/67/947995067.db2.gz ISBKRQVKRQPFBB-GFCCVEGCSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](C(=O)NC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C(C)(F)F ZINC001573657117 947999075 /nfs/dbraw/zinc/99/90/75/947999075.db2.gz KZXIMKDXVJEBEJ-JTQLQIEISA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](C(=O)NC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C(C)(F)F ZINC001573657117 947999080 /nfs/dbraw/zinc/99/90/80/947999080.db2.gz KZXIMKDXVJEBEJ-JTQLQIEISA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H](C(=O)NC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C1CCCC1 ZINC001573658175 948008014 /nfs/dbraw/zinc/00/80/14/948008014.db2.gz QSQDRPXCXDAOPJ-ZDUSSCGKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](C(=O)NC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C1CCCC1 ZINC001573658175 948008020 /nfs/dbraw/zinc/00/80/20/948008020.db2.gz QSQDRPXCXDAOPJ-ZDUSSCGKSA-N -1 1 384.488 1.958 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](CO)c2ccc(C(F)(F)F)cc2)c1-c1nnn[n-]1 ZINC000826345179 948019935 /nfs/dbraw/zinc/01/99/35/948019935.db2.gz FLGJLAMDGGCBRQ-LBPRGKRZSA-N -1 1 396.329 1.574 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](CO)c2ccc(C(F)(F)F)cc2)c1-c1nn[n-]n1 ZINC000826345179 948019944 /nfs/dbraw/zinc/01/99/44/948019944.db2.gz FLGJLAMDGGCBRQ-LBPRGKRZSA-N -1 1 396.329 1.574 20 0 GDADMM C[C@H](C(=O)N[C@@]12CCC[C@@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2)C(C)(F)F ZINC001573662309 948025106 /nfs/dbraw/zinc/02/51/06/948025106.db2.gz BGTUYNCPZZGRGT-YOIRWDDOSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H](C(=O)N[C@@]12CCC[C@@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2)C(C)(F)F ZINC001573662309 948025116 /nfs/dbraw/zinc/02/51/16/948025116.db2.gz BGTUYNCPZZGRGT-YOIRWDDOSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H](C(=O)NC1(CNc2cncc(-c3nnn[n-]3)n2)CCCC1)c1ccco1 ZINC001573662431 948028379 /nfs/dbraw/zinc/02/83/79/948028379.db2.gz DXOKIESCWQCBSV-LBPRGKRZSA-N -1 1 382.428 1.894 20 0 GDADMM C[C@H](C(=O)NC1(CNc2cncc(-c3nn[n-]n3)n2)CCCC1)c1ccco1 ZINC001573662431 948028387 /nfs/dbraw/zinc/02/83/87/948028387.db2.gz DXOKIESCWQCBSV-LBPRGKRZSA-N -1 1 382.428 1.894 20 0 GDADMM C[C@H](C(=O)NC1CC2(C1)CC(Nc1cnc(-c3nnn[n-]3)cn1)C2)C1CCC1 ZINC001573663826 948044760 /nfs/dbraw/zinc/04/47/60/948044760.db2.gz AMGQGGAPIFYJPY-AIMVFPRCSA-N -1 1 382.472 1.932 20 0 GDADMM C[C@H](C(=O)NC1CC2(C1)CC(Nc1cnc(-c3nn[n-]n3)cn1)C2)C1CCC1 ZINC001573663826 948044771 /nfs/dbraw/zinc/04/47/71/948044771.db2.gz AMGQGGAPIFYJPY-AIMVFPRCSA-N -1 1 382.472 1.932 20 0 GDADMM Cc1onc(CC(=O)NCCCN(C)C(=O)OC(C)(C)C)c1-c1nnn[n-]1 ZINC000826346998 948048046 /nfs/dbraw/zinc/04/80/46/948048046.db2.gz APEWQFNHZCIBGP-UHFFFAOYSA-N -1 1 379.421 1.079 20 0 GDADMM Cc1onc(CC(=O)NCCCN(C)C(=O)OC(C)(C)C)c1-c1nn[n-]n1 ZINC000826346998 948048059 /nfs/dbraw/zinc/04/80/59/948048059.db2.gz APEWQFNHZCIBGP-UHFFFAOYSA-N -1 1 379.421 1.079 20 0 GDADMM Cc1onc(CC(=O)NC[C@@H](O)c2ccccc2C(F)(F)F)c1-c1nnn[n-]1 ZINC000826347382 948053233 /nfs/dbraw/zinc/05/32/33/948053233.db2.gz PHFHGQRQKWWCCZ-GFCCVEGCSA-N -1 1 396.329 1.574 20 0 GDADMM Cc1onc(CC(=O)NC[C@@H](O)c2ccccc2C(F)(F)F)c1-c1nn[n-]n1 ZINC000826347382 948053245 /nfs/dbraw/zinc/05/32/45/948053245.db2.gz PHFHGQRQKWWCCZ-GFCCVEGCSA-N -1 1 396.329 1.574 20 0 GDADMM C[C@H](C(=O)N[C@@]12CCC[C@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2)C(C)(F)F ZINC001573664382 948053955 /nfs/dbraw/zinc/05/39/55/948053955.db2.gz UYCKBPBUGGNSPN-ILMHXZGMSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H](C(=O)N[C@@]12CCC[C@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2)C(C)(F)F ZINC001573664382 948053960 /nfs/dbraw/zinc/05/39/60/948053960.db2.gz UYCKBPBUGGNSPN-ILMHXZGMSA-N -1 1 392.414 1.566 20 0 GDADMM Cc1onc(CC(=O)NCc2ccc(CN3CCCC3=O)cc2)c1-c1nnn[n-]1 ZINC000826348064 948065533 /nfs/dbraw/zinc/06/55/33/948065533.db2.gz RZPKHWOCYKVHSI-UHFFFAOYSA-N -1 1 395.423 1.144 20 0 GDADMM Cc1onc(CC(=O)NCc2ccc(CN3CCCC3=O)cc2)c1-c1nn[n-]n1 ZINC000826348064 948065541 /nfs/dbraw/zinc/06/55/41/948065541.db2.gz RZPKHWOCYKVHSI-UHFFFAOYSA-N -1 1 395.423 1.144 20 0 GDADMM Cc1onc(CC(=O)NCc2ccc(N3CCCCC3=O)cc2)c1-c1nnn[n-]1 ZINC000826348086 948066524 /nfs/dbraw/zinc/06/65/24/948066524.db2.gz TVIPXQUZFHBJAF-UHFFFAOYSA-N -1 1 395.423 1.539 20 0 GDADMM Cc1onc(CC(=O)NCc2ccc(N3CCCCC3=O)cc2)c1-c1nn[n-]n1 ZINC000826348086 948066530 /nfs/dbraw/zinc/06/65/30/948066530.db2.gz TVIPXQUZFHBJAF-UHFFFAOYSA-N -1 1 395.423 1.539 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C(F)(F)F ZINC001573665815 948078142 /nfs/dbraw/zinc/07/81/42/948078142.db2.gz NJKJGVHZLJGSAR-VHSXEESVSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C(F)(F)F ZINC001573665815 948078151 /nfs/dbraw/zinc/07/81/51/948078151.db2.gz NJKJGVHZLJGSAR-VHSXEESVSA-N -1 1 384.366 1.330 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(Cl)c(C[S@](C)=O)c2)c1-c1nnn[n-]1 ZINC000826348641 948078516 /nfs/dbraw/zinc/07/85/16/948078516.db2.gz WULSZDUWHBEVDN-SANMLTNESA-N -1 1 394.844 1.876 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(Cl)c(C[S@](C)=O)c2)c1-c1nn[n-]n1 ZINC000826348641 948078518 /nfs/dbraw/zinc/07/85/18/948078518.db2.gz WULSZDUWHBEVDN-SANMLTNESA-N -1 1 394.844 1.876 20 0 GDADMM C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1)C1CCC1 ZINC001573665865 948079450 /nfs/dbraw/zinc/07/94/50/948079450.db2.gz NRPOCYOBDCYWRL-PRTUASRFSA-N -1 1 382.472 1.709 20 0 GDADMM C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1)C1CCC1 ZINC001573665865 948079458 /nfs/dbraw/zinc/07/94/58/948079458.db2.gz NRPOCYOBDCYWRL-PRTUASRFSA-N -1 1 382.472 1.709 20 0 GDADMM Cc1onc(CC(=O)Nc2ccccc2N2CCC(O)CC2)c1-c1nnn[n-]1 ZINC000826348707 948080504 /nfs/dbraw/zinc/08/05/04/948080504.db2.gz AGHIJLONNROHRP-UHFFFAOYSA-N -1 1 383.412 1.305 20 0 GDADMM Cc1onc(CC(=O)Nc2ccccc2N2CCC(O)CC2)c1-c1nn[n-]n1 ZINC000826348707 948080512 /nfs/dbraw/zinc/08/05/12/948080512.db2.gz AGHIJLONNROHRP-UHFFFAOYSA-N -1 1 383.412 1.305 20 0 GDADMM Cc1onc(CC(=O)Nc2nc(Cc3ccccc3)ns2)c1-c1nnn[n-]1 ZINC000826349097 948088981 /nfs/dbraw/zinc/08/89/81/948088981.db2.gz SZUVGXQDJLVDJI-UHFFFAOYSA-N -1 1 382.409 1.787 20 0 GDADMM Cc1onc(CC(=O)Nc2nc(Cc3ccccc3)ns2)c1-c1nn[n-]n1 ZINC000826349097 948088990 /nfs/dbraw/zinc/08/89/90/948088990.db2.gz SZUVGXQDJLVDJI-UHFFFAOYSA-N -1 1 382.409 1.787 20 0 GDADMM Cn1ccnc1CN1CCC[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1=O ZINC000826363827 948137789 /nfs/dbraw/zinc/13/77/89/948137789.db2.gz CQFSRBIBMUKWOP-MRVPVSSYSA-N -1 1 393.864 1.313 20 0 GDADMM Cn1ccnc1CN1CCC[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1=O ZINC000826363827 948137795 /nfs/dbraw/zinc/13/77/95/948137795.db2.gz CQFSRBIBMUKWOP-MRVPVSSYSA-N -1 1 393.864 1.313 20 0 GDADMM CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573428996 948169477 /nfs/dbraw/zinc/16/94/77/948169477.db2.gz FQCGKFBERQBOMP-ZDCRXTMVSA-N -1 1 379.877 1.670 20 0 GDADMM CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573428996 948169480 /nfs/dbraw/zinc/16/94/80/948169480.db2.gz FQCGKFBERQBOMP-ZDCRXTMVSA-N -1 1 379.877 1.670 20 0 GDADMM CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)c(Cl)n3)[C@@H]2C1 ZINC001573429389 948171345 /nfs/dbraw/zinc/17/13/45/948171345.db2.gz IAUONRBNIRWGDQ-CYZMBNFOSA-N -1 1 389.847 1.292 20 0 GDADMM C[C@H](CNC(=O)[C@H](C)c1cccc(F)c1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001573680919 948192399 /nfs/dbraw/zinc/19/23/99/948192399.db2.gz SJHBTEQLQXRVSX-VXGBXAGGSA-N -1 1 384.419 1.540 20 0 GDADMM C[C@H](CNC(=O)[C@H](C)c1cccc(F)c1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001573680919 948192406 /nfs/dbraw/zinc/19/24/06/948192406.db2.gz SJHBTEQLQXRVSX-VXGBXAGGSA-N -1 1 384.419 1.540 20 0 GDADMM C[C@@H](C(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccccc1)C1CC1 ZINC001573681544 948206580 /nfs/dbraw/zinc/20/65/80/948206580.db2.gz WGOYTOQBRMWUPO-MLGOLLRUSA-N -1 1 378.440 1.972 20 0 GDADMM C[C@@H](C(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccccc1)C1CC1 ZINC001573681544 948206587 /nfs/dbraw/zinc/20/65/87/948206587.db2.gz WGOYTOQBRMWUPO-MLGOLLRUSA-N -1 1 378.440 1.972 20 0 GDADMM C[C@H](C(=O)NC[C@]1(C)CN(c2ccnc(-c3nn[n-]n3)n2)CCO1)C(C)(C)C ZINC001573691108 948236894 /nfs/dbraw/zinc/23/68/94/948236894.db2.gz HNHQEENVLMNFCA-KZULUSFZSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@H](C(=O)NC[C@]1(C)CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573691506 948243104 /nfs/dbraw/zinc/24/31/04/948243104.db2.gz JKKYKFFMFKVGJT-DJJJIMSYSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCCC1)C(F)(F)F ZINC001573692886 948273401 /nfs/dbraw/zinc/27/34/01/948273401.db2.gz SXJWNIRWIIXZBJ-VIFPVBQESA-N -1 1 384.366 1.696 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCCC1)C(F)(F)F ZINC001573692886 948273409 /nfs/dbraw/zinc/27/34/09/948273409.db2.gz SXJWNIRWIIXZBJ-VIFPVBQESA-N -1 1 384.366 1.696 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCC1)c1cccnc1 ZINC001573693213 948279120 /nfs/dbraw/zinc/27/91/20/948279120.db2.gz VOPGHZVDOZKCHP-GFCCVEGCSA-N -1 1 379.428 1.306 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCC1)c1cccnc1 ZINC001573693213 948279126 /nfs/dbraw/zinc/27/91/26/948279126.db2.gz VOPGHZVDOZKCHP-GFCCVEGCSA-N -1 1 379.428 1.306 20 0 GDADMM O=C(Nc1ccccc1N1CCC(CO)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826457471 948333118 /nfs/dbraw/zinc/33/31/18/948333118.db2.gz COSNKMCAISZFIY-UHFFFAOYSA-N -1 1 379.424 1.723 20 0 GDADMM O=C(Nc1ccccc1N1CCC(CO)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826457471 948333126 /nfs/dbraw/zinc/33/31/26/948333126.db2.gz COSNKMCAISZFIY-UHFFFAOYSA-N -1 1 379.424 1.723 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccco1 ZINC001573702272 948344914 /nfs/dbraw/zinc/34/49/14/948344914.db2.gz CZTJFVGEBFJDAS-OLZOCXBDSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001573702272 948344920 /nfs/dbraw/zinc/34/49/20/948344920.db2.gz CZTJFVGEBFJDAS-OLZOCXBDSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1)c1cccs1 ZINC001573702855 948349243 /nfs/dbraw/zinc/34/92/43/948349243.db2.gz GNLVUSJBXMQPRJ-VXGBXAGGSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1)c1cccs1 ZINC001573702855 948349252 /nfs/dbraw/zinc/34/92/52/948349252.db2.gz GNLVUSJBXMQPRJ-VXGBXAGGSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1)c1cccs1 ZINC001573703431 948355362 /nfs/dbraw/zinc/35/53/62/948355362.db2.gz JYWSOQFNHLQVTK-VOMCLLRMSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)NCC1CC(Nc2cncc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573703431 948355369 /nfs/dbraw/zinc/35/53/69/948355369.db2.gz JYWSOQFNHLQVTK-VOMCLLRMSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCC1(F)F)C1CC1 ZINC001573706683 948422822 /nfs/dbraw/zinc/42/28/22/948422822.db2.gz KTLIXLPAWNASLS-JQWIXIFHSA-N -1 1 392.414 1.281 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCC1(F)F)C1CC1 ZINC001573706683 948422829 /nfs/dbraw/zinc/42/28/29/948422829.db2.gz KTLIXLPAWNASLS-JQWIXIFHSA-N -1 1 392.414 1.281 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1nc(-c2nn[n-]n2)c(Cl)s1)C(C)(F)F ZINC001573718751 948519769 /nfs/dbraw/zinc/51/97/69/948519769.db2.gz KDKXSIYGIRGNOF-ZCFIWIBFSA-N -1 1 379.824 1.820 20 0 GDADMM C[C@H](C(=O)NCC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C)C(C)(C)C ZINC001573718794 948521414 /nfs/dbraw/zinc/52/14/14/948521414.db2.gz TVFMQZBXWYAPNZ-MGPQQGTHSA-N -1 1 386.504 1.918 20 0 GDADMM C[C@H](C(=O)NCC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C)C(C)(C)C ZINC001573718794 948521417 /nfs/dbraw/zinc/52/14/17/948521417.db2.gz TVFMQZBXWYAPNZ-MGPQQGTHSA-N -1 1 386.504 1.918 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1nc(-c2nn[n-]n2)c(Cl)s1)[C@@H]1CCCO1 ZINC001573719753 948529116 /nfs/dbraw/zinc/52/91/16/948529116.db2.gz OYDBBHKNZYPRLW-IUCAKERBSA-N -1 1 385.881 1.344 20 0 GDADMM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cccs1 ZINC001573726819 948552430 /nfs/dbraw/zinc/55/24/30/948552430.db2.gz KVLPKLKYFCJFMW-SDDRHHMPSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cccs1 ZINC001573726819 948552436 /nfs/dbraw/zinc/55/24/36/948552436.db2.gz KVLPKLKYFCJFMW-SDDRHHMPSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NC[C@]12CCC[C@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2)C1CC1 ZINC001573727615 948555210 /nfs/dbraw/zinc/55/52/10/948555210.db2.gz ATBUCRHJXRECNL-IOHHAYIISA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](C(=O)NC[C@]12CCC[C@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2)C1CC1 ZINC001573727615 948555217 /nfs/dbraw/zinc/55/52/17/948555217.db2.gz ATBUCRHJXRECNL-IOHHAYIISA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ccsc1 ZINC001573728617 948560713 /nfs/dbraw/zinc/56/07/13/948560713.db2.gz QCISFQAKMWUSLW-GMXVVIOVSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ccsc1 ZINC001573728617 948560721 /nfs/dbraw/zinc/56/07/21/948560721.db2.gz QCISFQAKMWUSLW-GMXVVIOVSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NCc1ccc(CCNc2ccc(-c3nnn[n-]3)nn2)cc1)C1CC1 ZINC001573730551 948582500 /nfs/dbraw/zinc/58/25/00/948582500.db2.gz RBGBHPCZALIVET-ZDUSSCGKSA-N -1 1 392.467 1.974 20 0 GDADMM C[C@H](C(=O)NCc1ccc(CCNc2ccc(-c3nn[n-]n3)nn2)cc1)C1CC1 ZINC001573730551 948582507 /nfs/dbraw/zinc/58/25/07/948582507.db2.gz RBGBHPCZALIVET-ZDUSSCGKSA-N -1 1 392.467 1.974 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)C1CCCC1 ZINC001573739626 948620604 /nfs/dbraw/zinc/62/06/04/948620604.db2.gz FUGYEFDABULYMV-MEWXFMAXSA-N -1 1 382.472 1.709 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573739626 948620611 /nfs/dbraw/zinc/62/06/11/948620611.db2.gz FUGYEFDABULYMV-MEWXFMAXSA-N -1 1 382.472 1.709 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H](C)c1ccc(F)c(F)c1 ZINC001573743155 948668083 /nfs/dbraw/zinc/66/80/83/948668083.db2.gz ZGTWAHQWXVJYFA-NXEZZACHSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H](C)c1ccc(F)c(F)c1 ZINC001573743155 948668089 /nfs/dbraw/zinc/66/80/89/948668089.db2.gz ZGTWAHQWXVJYFA-NXEZZACHSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1ccsc1 ZINC001573745621 948673344 /nfs/dbraw/zinc/67/33/44/948673344.db2.gz FOXMKQSEQULAMY-GVXVVHGQSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1ccsc1 ZINC001573745621 948673347 /nfs/dbraw/zinc/67/33/47/948673347.db2.gz FOXMKQSEQULAMY-GVXVVHGQSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001573753711 948720547 /nfs/dbraw/zinc/72/05/47/948720547.db2.gz XCSGIUKCDKVBCV-ZNSHCXBVSA-N -1 1 378.387 1.174 20 0 GDADMM CC(C)[C@H](F)C(=O)NC[C@H]1CCCCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001574075017 948742415 /nfs/dbraw/zinc/74/24/15/948742415.db2.gz ZLNDTTHWCADIIV-DOMZBBRYSA-N -1 1 376.440 1.516 20 0 GDADMM CC(C)[C@H](F)C(=O)NC[C@H]1CCCCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001574075017 948742424 /nfs/dbraw/zinc/74/24/24/948742424.db2.gz ZLNDTTHWCADIIV-DOMZBBRYSA-N -1 1 376.440 1.516 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CCCCC1(F)F ZINC001574678366 948749806 /nfs/dbraw/zinc/74/98/06/948749806.db2.gz DRFFSFWHRLEBGR-QWRGUYRKSA-N -1 1 380.403 1.789 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCCCC1(F)F ZINC001574678366 948749815 /nfs/dbraw/zinc/74/98/15/948749815.db2.gz DRFFSFWHRLEBGR-QWRGUYRKSA-N -1 1 380.403 1.789 20 0 GDADMM CC(C)c1ccc(C(=O)N(C)[C@H](C)CNc2ccnc(-c3nn[n-]n3)n2)nc1 ZINC001574416568 948752105 /nfs/dbraw/zinc/75/21/05/948752105.db2.gz YJBYTEXCCVIWAE-GFCCVEGCSA-N -1 1 381.444 1.170 20 0 GDADMM CC(F)(F)C1(C(=O)NCCN(c2ccnc(-c3nn[n-]n3)n2)C2CC2)CC1 ZINC001575221791 948752274 /nfs/dbraw/zinc/75/22/74/948752274.db2.gz CQIBZYXVMZLMMM-UHFFFAOYSA-N -1 1 378.387 1.177 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@@H](C)[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)nc1 ZINC001574416554 948753572 /nfs/dbraw/zinc/75/35/72/948753572.db2.gz XTRJNEDWNDSXTG-NEPJUHHUSA-N -1 1 381.444 1.794 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@@H](C)[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)nc1 ZINC001574416554 948753585 /nfs/dbraw/zinc/75/35/85/948753585.db2.gz XTRJNEDWNDSXTG-NEPJUHHUSA-N -1 1 381.444 1.794 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CC1 ZINC001575222142 948754109 /nfs/dbraw/zinc/75/41/09/948754109.db2.gz FLYLIRRYJYIJIE-NSHDSACASA-N -1 1 392.414 1.567 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CC1 ZINC001575222142 948754117 /nfs/dbraw/zinc/75/41/17/948754117.db2.gz FLYLIRRYJYIJIE-NSHDSACASA-N -1 1 392.414 1.567 20 0 GDADMM CC(C)[C@@H](NC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1)c1nncn1C ZINC001574078570 948756149 /nfs/dbraw/zinc/75/61/49/948756149.db2.gz DYPJMVBATGJKOY-ZCFIWIBFSA-N -1 1 382.841 1.624 20 0 GDADMM C[C@@H](CNC(=O)CCc1ccc(Cl)cc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574914845 948758520 /nfs/dbraw/zinc/75/85/20/948758520.db2.gz NXNUMWGQKAXVHG-NSHDSACASA-N -1 1 386.847 1.281 20 0 GDADMM C[C@@H](CNC(=O)CCc1ccccn1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574915023 948761108 /nfs/dbraw/zinc/76/11/08/948761108.db2.gz PAYIMXHEAGXISC-VIFPVBQESA-N -1 1 392.876 1.921 20 0 GDADMM C[C@@H](CNC(=O)CCc1ccccn1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574915023 948761117 /nfs/dbraw/zinc/76/11/17/948761117.db2.gz PAYIMXHEAGXISC-VIFPVBQESA-N -1 1 392.876 1.921 20 0 GDADMM C[C@H](C(=O)Nc1cc(Cl)ccc1OC(F)F)n1cnc(-c2nn[n-]n2)n1 ZINC001573755361 948762431 /nfs/dbraw/zinc/76/24/31/948762431.db2.gz CHNVRQLXWXCEOR-ZCFIWIBFSA-N -1 1 384.734 1.913 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1[nH]cnc1C(C)(C)C ZINC001574679081 948767745 /nfs/dbraw/zinc/76/77/45/948767745.db2.gz NCPYEMPEWUGKFI-SNVBAGLBSA-N -1 1 384.448 1.298 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1[nH]cnc1C(C)(C)C ZINC001574679081 948767760 /nfs/dbraw/zinc/76/77/60/948767760.db2.gz NCPYEMPEWUGKFI-SNVBAGLBSA-N -1 1 384.448 1.298 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001575223913 948775098 /nfs/dbraw/zinc/77/50/98/948775098.db2.gz PEBLWCIZUOMMEJ-SNVBAGLBSA-N -1 1 378.387 1.177 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001575223913 948775107 /nfs/dbraw/zinc/77/51/07/948775107.db2.gz PEBLWCIZUOMMEJ-SNVBAGLBSA-N -1 1 378.387 1.177 20 0 GDADMM CC(F)(F)CC(=O)NC1(CNc2cncc(-c3nnn[n-]3)n2)CCCCC1 ZINC001575224285 948781141 /nfs/dbraw/zinc/78/11/41/948781141.db2.gz LLCIXPQZPDDKHM-UHFFFAOYSA-N -1 1 380.403 1.933 20 0 GDADMM CC(F)(F)CC(=O)NC1(CNc2cncc(-c3nn[n-]n3)n2)CCCCC1 ZINC001575224285 948781149 /nfs/dbraw/zinc/78/11/49/948781149.db2.gz LLCIXPQZPDDKHM-UHFFFAOYSA-N -1 1 380.403 1.933 20 0 GDADMM CC(C)[C@H](F)C(=O)NCCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574080124 948781917 /nfs/dbraw/zinc/78/19/17/948781917.db2.gz HQUPZSDOTVWZAD-HNNXBMFYSA-N -1 1 376.440 1.374 20 0 GDADMM CC(C)[C@H](F)C(=O)NCCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574080124 948781929 /nfs/dbraw/zinc/78/19/29/948781929.db2.gz HQUPZSDOTVWZAD-HNNXBMFYSA-N -1 1 376.440 1.374 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H](C)c1cccc(F)c1 ZINC001574679407 948782559 /nfs/dbraw/zinc/78/25/59/948782559.db2.gz UUOYLYKUECNOFP-VXGBXAGGSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)c1cccc(F)c1 ZINC001574679407 948782567 /nfs/dbraw/zinc/78/25/67/948782567.db2.gz UUOYLYKUECNOFP-VXGBXAGGSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC001574679609 948787856 /nfs/dbraw/zinc/78/78/56/948787856.db2.gz YODIFHKDVOAMTE-PZLGEANOSA-N -1 1 390.451 1.549 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC001574679609 948787875 /nfs/dbraw/zinc/78/78/75/948787875.db2.gz YODIFHKDVOAMTE-PZLGEANOSA-N -1 1 390.451 1.549 20 0 GDADMM CC(C)c1ccccc1C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1 ZINC001574419901 948789466 /nfs/dbraw/zinc/78/94/66/948789466.db2.gz LHXHJPMMQWRAGZ-KBPBESRZSA-N -1 1 390.451 1.883 20 0 GDADMM CC(C)c1ccccc1C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1 ZINC001574419901 948789479 /nfs/dbraw/zinc/78/94/79/948789479.db2.gz LHXHJPMMQWRAGZ-KBPBESRZSA-N -1 1 390.451 1.883 20 0 GDADMM CC(C)c1ccccc1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1 ZINC001574420603 948803238 /nfs/dbraw/zinc/80/32/38/948803238.db2.gz ZTFXIVHVFJZWKQ-KBPBESRZSA-N -1 1 390.451 1.883 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@]2(C1)CCCN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001575225743 948809524 /nfs/dbraw/zinc/80/95/24/948809524.db2.gz FBDIHIMLCHIJEA-QGZVFWFLSA-N -1 1 392.414 1.521 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@]2(C1)CCCN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001575225743 948809552 /nfs/dbraw/zinc/80/95/52/948809552.db2.gz FBDIHIMLCHIJEA-QGZVFWFLSA-N -1 1 392.414 1.521 20 0 GDADMM CC(C)c1ccoc1C(=O)NC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001574421086 948810074 /nfs/dbraw/zinc/81/00/74/948810074.db2.gz GIUSCJLPQMKRGO-LBPRGKRZSA-N -1 1 382.428 1.629 20 0 GDADMM CC(C)c1ccoc1C(=O)NC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001574421086 948810086 /nfs/dbraw/zinc/81/00/86/948810086.db2.gz GIUSCJLPQMKRGO-LBPRGKRZSA-N -1 1 382.428 1.629 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@@H](C)CCNc2cncc(-c3nnn[n-]3)n2)cn1 ZINC001574680927 948815171 /nfs/dbraw/zinc/81/51/71/948815171.db2.gz KENPQJRBQSCFBU-LBPRGKRZSA-N -1 1 381.444 1.796 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@@H](C)CCNc2cncc(-c3nn[n-]n3)n2)cn1 ZINC001574680927 948815189 /nfs/dbraw/zinc/81/51/89/948815189.db2.gz KENPQJRBQSCFBU-LBPRGKRZSA-N -1 1 381.444 1.796 20 0 GDADMM C[C@H](C(=O)N[C@]12CCC[C@H]1CN(c1nccnc1-c1nnn[n-]1)C2)C(C)(F)F ZINC001573756405 948815568 /nfs/dbraw/zinc/81/55/68/948815568.db2.gz QQBFMIJDUKDBDS-RLFDGXBXSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@H](C(=O)N[C@]12CCC[C@H]1CN(c1nccnc1-c1nn[n-]n1)C2)C(C)(F)F ZINC001573756405 948815585 /nfs/dbraw/zinc/81/55/85/948815585.db2.gz QQBFMIJDUKDBDS-RLFDGXBXSA-N -1 1 392.414 1.423 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nnn[n-]2)CC1 ZINC001575227370 948830725 /nfs/dbraw/zinc/83/07/25/948830725.db2.gz VGALQPRACBUUQF-VWYCJHECSA-N -1 1 390.398 1.318 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nn[n-]n2)CC1 ZINC001575227370 948830750 /nfs/dbraw/zinc/83/07/50/948830750.db2.gz VGALQPRACBUUQF-VWYCJHECSA-N -1 1 390.398 1.318 20 0 GDADMM CC(C)c1ccoc1C(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574422205 948831703 /nfs/dbraw/zinc/83/17/03/948831703.db2.gz XEUHUPUXPZDKLJ-HAQNSBGRSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1ccoc1C(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574422205 948831723 /nfs/dbraw/zinc/83/17/23/948831723.db2.gz XEUHUPUXPZDKLJ-HAQNSBGRSA-N -1 1 382.428 1.994 20 0 GDADMM CC(F)(F)CC(=O)NC[C@@H](Nc1nccnc1-c1nnn[n-]1)c1ccccc1 ZINC001575231904 948871741 /nfs/dbraw/zinc/87/17/41/948871741.db2.gz AJXUOPKMCDSQEZ-GFCCVEGCSA-N -1 1 388.382 1.971 20 0 GDADMM CC(F)(F)CC(=O)NC[C@@H](Nc1nccnc1-c1nn[n-]n1)c1ccccc1 ZINC001575231904 948871760 /nfs/dbraw/zinc/87/17/60/948871760.db2.gz AJXUOPKMCDSQEZ-GFCCVEGCSA-N -1 1 388.382 1.971 20 0 GDADMM C[C@@H](CNC(=O)CCCc1ccc(F)cc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574919380 948878610 /nfs/dbraw/zinc/87/86/10/948878610.db2.gz XVGJBZLQAILCEE-LBPRGKRZSA-N -1 1 384.419 1.735 20 0 GDADMM C[C@@H](CNC(=O)CCCc1ccc(F)cc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574919380 948878625 /nfs/dbraw/zinc/87/86/25/948878625.db2.gz XVGJBZLQAILCEE-LBPRGKRZSA-N -1 1 384.419 1.735 20 0 GDADMM C[C@@H](CNC(=O)CCCc1ccc(F)cc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574919414 948879118 /nfs/dbraw/zinc/87/91/18/948879118.db2.gz YVPRKSHRJFZCPH-LBPRGKRZSA-N -1 1 384.419 1.735 20 0 GDADMM C[C@@H](CNC(=O)CCCc1ccc(F)cc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574919414 948879136 /nfs/dbraw/zinc/87/91/36/948879136.db2.gz YVPRKSHRJFZCPH-LBPRGKRZSA-N -1 1 384.419 1.735 20 0 GDADMM CC(C)(C(=O)N1CCC[C@H](CNc2nccnc2-c2nnn[n-]2)C1)C(F)F ZINC001573764082 948882034 /nfs/dbraw/zinc/88/20/34/948882034.db2.gz LAARJQJLOZNWSX-SNVBAGLBSA-N -1 1 380.403 1.599 20 0 GDADMM CC(C)(C(=O)N1CCC[C@H](CNc2nccnc2-c2nn[n-]n2)C1)C(F)F ZINC001573764082 948882050 /nfs/dbraw/zinc/88/20/50/948882050.db2.gz LAARJQJLOZNWSX-SNVBAGLBSA-N -1 1 380.403 1.599 20 0 GDADMM CC(C)(C(=O)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C1CCC1 ZINC001573765378 948907153 /nfs/dbraw/zinc/90/71/53/948907153.db2.gz AQFSUSUICKARDE-CYBMUJFWSA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)(C(=O)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C1CCC1 ZINC001573765378 948907166 /nfs/dbraw/zinc/90/71/66/948907166.db2.gz AQFSUSUICKARDE-CYBMUJFWSA-N -1 1 386.460 1.122 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@@H]2[C@@H](CCN2c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575235943 948933073 /nfs/dbraw/zinc/93/30/73/948933073.db2.gz SSNKWCQSDZADPA-WCQYABFASA-N -1 1 392.414 1.519 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@@H]2[C@@H](CCN2c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575235943 948933082 /nfs/dbraw/zinc/93/30/82/948933082.db2.gz SSNKWCQSDZADPA-WCQYABFASA-N -1 1 392.414 1.519 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)C(F)F ZINC001573771491 948941295 /nfs/dbraw/zinc/94/12/95/948941295.db2.gz IVWQVQRCEMUNMB-VHSXEESVSA-N -1 1 380.403 1.787 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)C(F)F ZINC001573771491 948941304 /nfs/dbraw/zinc/94/13/04/948941304.db2.gz IVWQVQRCEMUNMB-VHSXEESVSA-N -1 1 380.403 1.787 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575237319 948945801 /nfs/dbraw/zinc/94/58/01/948945801.db2.gz DVVNGKBIOULJPV-QWRGUYRKSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575237319 948945813 /nfs/dbraw/zinc/94/58/13/948945813.db2.gz DVVNGKBIOULJPV-QWRGUYRKSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CCC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001575237812 948946624 /nfs/dbraw/zinc/94/66/24/948946624.db2.gz HSOUDCIHCRGUKW-YOGCLGLASA-N -1 1 392.414 1.708 20 0 GDADMM CC(F)(F)CCC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001575237812 948946634 /nfs/dbraw/zinc/94/66/34/948946634.db2.gz HSOUDCIHCRGUKW-YOGCLGLASA-N -1 1 392.414 1.708 20 0 GDADMM CC(C)(C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)C(F)F ZINC001573771861 948947359 /nfs/dbraw/zinc/94/73/59/948947359.db2.gz MSAMCOHCORQYHG-FGWVZKOKSA-N -1 1 392.414 1.564 20 0 GDADMM CC(C)(C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)C(F)F ZINC001573771861 948947371 /nfs/dbraw/zinc/94/73/71/948947371.db2.gz MSAMCOHCORQYHG-FGWVZKOKSA-N -1 1 392.414 1.564 20 0 GDADMM CC(F)(F)CCC(=O)NCC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575238956 948956867 /nfs/dbraw/zinc/95/68/67/948956867.db2.gz OLCXBOIRLFUMAK-NSHDSACASA-N -1 1 380.403 1.425 20 0 GDADMM CC(F)(F)CCC(=O)NCC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575238956 948956881 /nfs/dbraw/zinc/95/68/81/948956881.db2.gz OLCXBOIRLFUMAK-NSHDSACASA-N -1 1 380.403 1.425 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575239068 948958394 /nfs/dbraw/zinc/95/83/94/948958394.db2.gz QAUKQULUNWCHQR-QWRGUYRKSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575239068 948958409 /nfs/dbraw/zinc/95/84/09/948958409.db2.gz QAUKQULUNWCHQR-QWRGUYRKSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CCC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001575239808 948965595 /nfs/dbraw/zinc/96/55/95/948965595.db2.gz VBJAEEGDRWRESI-YOGCLGLASA-N -1 1 392.414 1.708 20 0 GDADMM CC(C)(C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001573772800 948966704 /nfs/dbraw/zinc/96/67/04/948966704.db2.gz WMCKDZSARKQILB-AGUYFDCRSA-N -1 1 382.472 1.709 20 0 GDADMM CC(C)(C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001573772800 948966714 /nfs/dbraw/zinc/96/67/14/948966714.db2.gz WMCKDZSARKQILB-AGUYFDCRSA-N -1 1 382.472 1.709 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C1CCCCC1 ZINC001573772832 948967610 /nfs/dbraw/zinc/96/76/10/948967610.db2.gz FZASVCZSUAYDDF-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)C(F)F ZINC001573772842 948970064 /nfs/dbraw/zinc/97/00/64/948970064.db2.gz WYWBXQNDMPYTQS-NXEZZACHSA-N -1 1 380.403 1.067 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C(F)F ZINC001573772899 948970588 /nfs/dbraw/zinc/97/05/88/948970588.db2.gz YBXKFBIZRFERFW-SNVBAGLBSA-N -1 1 380.403 1.423 20 0 GDADMM CC(C)(C(=O)N[C@H]1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)C(F)F ZINC001573773027 948973124 /nfs/dbraw/zinc/97/31/24/948973124.db2.gz YNVKWFVDBHOQMD-ZJUUUORDSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C(=O)N[C@H]1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)C(F)F ZINC001573773027 948973133 /nfs/dbraw/zinc/97/31/33/948973133.db2.gz YNVKWFVDBHOQMD-ZJUUUORDSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)NC1(CNc2ccnc(-c3nn[n-]n3)n2)CCCCC1 ZINC001574090859 948998897 /nfs/dbraw/zinc/99/88/97/948998897.db2.gz JQPGPILABHMDQB-UONOGXRCSA-N -1 1 384.488 1.602 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccccc1 ZINC001573774096 948999824 /nfs/dbraw/zinc/99/98/24/948999824.db2.gz QIMPVKPZMWRLNK-AWEZNQCLSA-N -1 1 378.440 1.329 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccccc1 ZINC001573774096 948999828 /nfs/dbraw/zinc/99/98/28/948999828.db2.gz QIMPVKPZMWRLNK-AWEZNQCLSA-N -1 1 378.440 1.329 20 0 GDADMM CC(C)(C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)c1ccccc1 ZINC001573774545 949014764 /nfs/dbraw/zinc/01/47/64/949014764.db2.gz UYPNYMLSMSVJNJ-UHFFFAOYSA-N -1 1 392.467 1.720 20 0 GDADMM CC(C)(C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)c1ccccc1 ZINC001573774545 949014779 /nfs/dbraw/zinc/01/47/79/949014779.db2.gz UYPNYMLSMSVJNJ-UHFFFAOYSA-N -1 1 392.467 1.720 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H](C)c1ccccc1F ZINC001574691400 949024041 /nfs/dbraw/zinc/02/40/41/949024041.db2.gz XIBRIHAWFGLZGJ-NEPJUHHUSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H](C)c1ccccc1F ZINC001574691400 949024059 /nfs/dbraw/zinc/02/40/59/949024059.db2.gz XIBRIHAWFGLZGJ-NEPJUHHUSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@@H](c1cccc(-c2nn[nH]n2)c1)N(C)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC001575502643 949028749 /nfs/dbraw/zinc/02/87/49/949028749.db2.gz ICAKIDXNASLFIS-NSHDSACASA-N -1 1 377.412 1.747 20 0 GDADMM CC(C)c1nnsc1C(=O)N(C)[C@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001574440840 949040522 /nfs/dbraw/zinc/04/05/22/949040522.db2.gz WIVDGBXVRZHBCM-SECBINFHSA-N -1 1 388.461 1.204 20 0 GDADMM CC(C)c1nnsc1C(=O)N(C)[C@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001574440840 949040543 /nfs/dbraw/zinc/04/05/43/949040543.db2.gz WIVDGBXVRZHBCM-SECBINFHSA-N -1 1 388.461 1.204 20 0 GDADMM CC(C)(C(=O)NC[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1)C1CCCCC1 ZINC001573775652 949044212 /nfs/dbraw/zinc/04/42/12/949044212.db2.gz ZHMQJMGDPGZOBX-ZDUSSCGKSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)(C(=O)NC[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1)C1CCCCC1 ZINC001573775652 949044237 /nfs/dbraw/zinc/04/42/37/949044237.db2.gz ZHMQJMGDPGZOBX-ZDUSSCGKSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1)C(F)F ZINC001573779267 949057364 /nfs/dbraw/zinc/05/73/64/949057364.db2.gz FTPMEYREVFODRO-JTQLQIEISA-N -1 1 380.403 1.423 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1)C(F)F ZINC001573779267 949057383 /nfs/dbraw/zinc/05/73/83/949057383.db2.gz FTPMEYREVFODRO-JTQLQIEISA-N -1 1 380.403 1.423 20 0 GDADMM CC(C)c1occc1C(=O)N(C)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574441282 949059343 /nfs/dbraw/zinc/05/93/43/949059343.db2.gz JCUKHQISXYZRDT-LBPRGKRZSA-N -1 1 382.428 1.724 20 0 GDADMM CC(C)c1occc1C(=O)N(C)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574441282 949059350 /nfs/dbraw/zinc/05/93/50/949059350.db2.gz JCUKHQISXYZRDT-LBPRGKRZSA-N -1 1 382.428 1.724 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CCCC1 ZINC001573779620 949068128 /nfs/dbraw/zinc/06/81/28/949068128.db2.gz KTKIKTMYZWSCHL-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CCCC1 ZINC001573779620 949068147 /nfs/dbraw/zinc/06/81/47/949068147.db2.gz KTKIKTMYZWSCHL-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)c1nocc1C(=O)N(C)C1CC(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574441894 949081242 /nfs/dbraw/zinc/08/12/42/949081242.db2.gz DUIKBAYRQXUBOO-UHFFFAOYSA-N -1 1 383.416 1.483 20 0 GDADMM CC(C)c1nocc1C(=O)N(C)C1CC(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574441894 949081259 /nfs/dbraw/zinc/08/12/59/949081259.db2.gz DUIKBAYRQXUBOO-UHFFFAOYSA-N -1 1 383.416 1.483 20 0 GDADMM C[C@@H](NC(=O)C1(C(F)F)CC1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575249048 949087889 /nfs/dbraw/zinc/08/78/89/949087889.db2.gz AWYFSOUNVPPTEO-GHMZBOCLSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@@H](NC(=O)C1(C(F)F)CC1)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575249048 949087868 /nfs/dbraw/zinc/08/78/68/949087868.db2.gz AWYFSOUNVPPTEO-GHMZBOCLSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)c1ccnnc1 ZINC001574694736 949089633 /nfs/dbraw/zinc/08/96/33/949089633.db2.gz VUJFVYIRGAFXGX-SSDOTTSWSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)c1ccnnc1 ZINC001574694736 949089652 /nfs/dbraw/zinc/08/96/52/949089652.db2.gz VUJFVYIRGAFXGX-SSDOTTSWSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@H](Sc1cccnc1-c1nnn[n-]1)C(=O)Nc1sccc1C(N)=O ZINC001575504926 949092753 /nfs/dbraw/zinc/09/27/53/949092753.db2.gz ZDOAGDLRLSIQFE-ZETCQYMHSA-N -1 1 375.439 1.541 20 0 GDADMM C[C@H](Sc1cccnc1-c1nn[n-]n1)C(=O)Nc1sccc1C(N)=O ZINC001575504926 949092773 /nfs/dbraw/zinc/09/27/73/949092773.db2.gz ZDOAGDLRLSIQFE-ZETCQYMHSA-N -1 1 375.439 1.541 20 0 GDADMM C[C@H](CN(C)C(=O)C(C)(C)c1cccnc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574695117 949099736 /nfs/dbraw/zinc/09/97/36/949099736.db2.gz ZNLRSYNYBUDMFE-GFCCVEGCSA-N -1 1 381.444 1.288 20 0 GDADMM C[C@H](CN(C)C(=O)C(C)(C)c1cccnc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574695117 949099756 /nfs/dbraw/zinc/09/97/56/949099756.db2.gz ZNLRSYNYBUDMFE-GFCCVEGCSA-N -1 1 381.444 1.288 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cccc2c[nH]nc21 ZINC001574695226 949106805 /nfs/dbraw/zinc/10/68/05/949106805.db2.gz FQQDOGCTFLQELN-JTQLQIEISA-N -1 1 378.400 1.154 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cccc2c[nH]nc21 ZINC001574695226 949106814 /nfs/dbraw/zinc/10/68/14/949106814.db2.gz FQQDOGCTFLQELN-JTQLQIEISA-N -1 1 378.400 1.154 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)CC[C@@H]1CC(C)(C)CO1 ZINC001574695230 949108498 /nfs/dbraw/zinc/10/84/98/949108498.db2.gz FRBXHFSAENIDJI-QWHCGFSZSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)CC[C@@H]1CC(C)(C)CO1 ZINC001574695230 949108508 /nfs/dbraw/zinc/10/85/08/949108508.db2.gz FRBXHFSAENIDJI-QWHCGFSZSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C(=O)NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1)C1CCCC1 ZINC001573781775 949111780 /nfs/dbraw/zinc/11/17/80/949111780.db2.gz NCNTXECSBPFDKA-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)NCC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(F)F ZINC001573781718 949113400 /nfs/dbraw/zinc/11/34/00/949113400.db2.gz MKWYRLHQQDIHEM-JTQLQIEISA-N -1 1 380.403 1.281 20 0 GDADMM CC(C)(C(=O)NCC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(F)F ZINC001573781718 949113408 /nfs/dbraw/zinc/11/34/08/949113408.db2.gz MKWYRLHQQDIHEM-JTQLQIEISA-N -1 1 380.403 1.281 20 0 GDADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H](C)NC(=O)C1(C(F)(F)F)CCC1 ZINC001575250704 949114575 /nfs/dbraw/zinc/11/45/75/949114575.db2.gz GNYXMSQZCCYEET-BDAKNGLRSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)C1(C(F)(F)F)CCC1 ZINC001575250704 949114585 /nfs/dbraw/zinc/11/45/85/949114585.db2.gz GNYXMSQZCCYEET-BDAKNGLRSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](NC(=O)C1(C(F)(F)F)CCC1)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575250918 949122987 /nfs/dbraw/zinc/12/29/87/949122987.db2.gz IRXDZQMBQSPENP-RKDXNWHRSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](NC(=O)C1(C(F)(F)F)CCC1)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575250918 949123001 /nfs/dbraw/zinc/12/30/01/949123001.db2.gz IRXDZQMBQSPENP-RKDXNWHRSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)C1CCOCC1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575251062 949127130 /nfs/dbraw/zinc/12/71/30/949127130.db2.gz KQGZGJBSGGFDLJ-NWDGAFQWSA-N -1 1 388.476 1.415 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)C1CCOCC1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575251062 949127144 /nfs/dbraw/zinc/12/71/44/949127144.db2.gz KQGZGJBSGGFDLJ-NWDGAFQWSA-N -1 1 388.476 1.415 20 0 GDADMM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001575511552 949130857 /nfs/dbraw/zinc/13/08/57/949130857.db2.gz KDNFYKMTAXLSCB-SECBINFHSA-N -1 1 392.466 1.409 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1nc(Cl)cs1 ZINC001574696473 949134511 /nfs/dbraw/zinc/13/45/11/949134511.db2.gz RINLKRXKDJAABF-ZETCQYMHSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1nc(Cl)cs1 ZINC001574696473 949134532 /nfs/dbraw/zinc/13/45/32/949134532.db2.gz RINLKRXKDJAABF-ZETCQYMHSA-N -1 1 379.837 1.387 20 0 GDADMM CC(C)c1ocnc1C(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574446621 949136447 /nfs/dbraw/zinc/13/64/47/949136447.db2.gz SYUPZWYWFIWXQC-ZYHUDNBSSA-N -1 1 383.416 1.341 20 0 GDADMM CC(C)c1ocnc1C(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574446621 949136456 /nfs/dbraw/zinc/13/64/56/949136456.db2.gz SYUPZWYWFIWXQC-ZYHUDNBSSA-N -1 1 383.416 1.341 20 0 GDADMM C[C@H](NC(=O)C1(c2ccccn2)CC1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575251381 949139155 /nfs/dbraw/zinc/13/91/55/949139155.db2.gz BFKVVRLXRKOZGO-RYUDHWBXSA-N -1 1 379.428 1.089 20 0 GDADMM C[C@H](NC(=O)C1(c2ccccn2)CC1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575251381 949139163 /nfs/dbraw/zinc/13/91/63/949139163.db2.gz BFKVVRLXRKOZGO-RYUDHWBXSA-N -1 1 379.428 1.089 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001574697183 949151561 /nfs/dbraw/zinc/15/15/61/949151561.db2.gz ZQOVBPOZJVMEMI-KWCYVHTRSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001574697183 949151570 /nfs/dbraw/zinc/15/15/70/949151570.db2.gz ZQOVBPOZJVMEMI-KWCYVHTRSA-N -1 1 379.428 1.162 20 0 GDADMM CC(C)[C@@H]1C[C@@H](C(=O)NCC2(Nc3cncc(-c4nnn[n-]4)n3)CC2)CCO1 ZINC001574095797 949152846 /nfs/dbraw/zinc/15/28/46/949152846.db2.gz ZCYOGHVKNHBYER-JSGCOSHPSA-N -1 1 386.460 1.169 20 0 GDADMM CC(C)[C@@H]1C[C@@H](C(=O)NCC2(Nc3cncc(-c4nn[n-]n4)n3)CC2)CCO1 ZINC001574095797 949152857 /nfs/dbraw/zinc/15/28/57/949152857.db2.gz ZCYOGHVKNHBYER-JSGCOSHPSA-N -1 1 386.460 1.169 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@H](Nc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001574447300 949154763 /nfs/dbraw/zinc/15/47/63/949154763.db2.gz KITZEIODMDRTRX-NSHDSACASA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@H](Nc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001574447300 949154776 /nfs/dbraw/zinc/15/47/76/949154776.db2.gz KITZEIODMDRTRX-NSHDSACASA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001574447625 949166162 /nfs/dbraw/zinc/16/61/62/949166162.db2.gz VDWNAOYWGOJUDZ-LLVKDONJSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001574447625 949166184 /nfs/dbraw/zinc/16/61/84/949166184.db2.gz VDWNAOYWGOJUDZ-LLVKDONJSA-N -1 1 383.416 1.389 20 0 GDADMM C[C@@H](CNC(=O)COc1cccc(Cl)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574934672 949172775 /nfs/dbraw/zinc/17/27/75/949172775.db2.gz NPCKSGHBVVOKHI-JTQLQIEISA-N -1 1 388.819 1.306 20 0 GDADMM C[C@@H](CNC(=O)COc1cccc(Cl)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574934672 949172788 /nfs/dbraw/zinc/17/27/88/949172788.db2.gz NPCKSGHBVVOKHI-JTQLQIEISA-N -1 1 388.819 1.306 20 0 GDADMM C[C@@H](C(=O)N(C)C[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1)c1ccccc1F ZINC001574698278 949183159 /nfs/dbraw/zinc/18/31/59/949183159.db2.gz IQEUMJIGOBKYJM-NWDGAFQWSA-N -1 1 384.419 1.280 20 0 GDADMM C[C@@H](NC(=O)C1(CCF)CC1)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575254353 949202686 /nfs/dbraw/zinc/20/26/86/949202686.db2.gz MWNIROKKVXHIKS-CHWSQXEVSA-N -1 1 388.451 1.518 20 0 GDADMM C[C@@H](NC(=O)C1(CCF)CC1)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575254353 949202698 /nfs/dbraw/zinc/20/26/98/949202698.db2.gz MWNIROKKVXHIKS-CHWSQXEVSA-N -1 1 388.451 1.518 20 0 GDADMM CC(C)c1oncc1C(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574449943 949206879 /nfs/dbraw/zinc/20/68/79/949206879.db2.gz XBXCENWEXNLMKD-LLVKDONJSA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1oncc1C(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574449943 949206895 /nfs/dbraw/zinc/20/68/95/949206895.db2.gz XBXCENWEXNLMKD-LLVKDONJSA-N -1 1 383.416 1.485 20 0 GDADMM CC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)CCc2ccoc2)CC1 ZINC001575853302 949208695 /nfs/dbraw/zinc/20/86/95/949208695.db2.gz OXIWJLGYXOLBFB-UHFFFAOYSA-N -1 1 382.428 1.676 20 0 GDADMM CC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)CCc2ccoc2)CC1 ZINC001575853302 949208713 /nfs/dbraw/zinc/20/87/13/949208713.db2.gz OXIWJLGYXOLBFB-UHFFFAOYSA-N -1 1 382.428 1.676 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(Cl)s1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574936083 949208980 /nfs/dbraw/zinc/20/89/80/949208980.db2.gz HBXVZNQUJCMSHZ-VIFPVBQESA-N -1 1 392.876 1.200 20 0 GDADMM C[C@H]1CCC[C@@]1(C)C(=O)N1CCC(N(C)c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576151229 949210371 /nfs/dbraw/zinc/21/03/71/949210371.db2.gz DUKSAXQTOCEGDP-ORAYPTAESA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CCC[C@@]1(C)C(=O)N1CCC(N(C)c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576151229 949210393 /nfs/dbraw/zinc/21/03/93/949210393.db2.gz DUKSAXQTOCEGDP-ORAYPTAESA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](CNC(=O)Cc1c(F)cccc1F)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574936258 949215624 /nfs/dbraw/zinc/21/56/24/949215624.db2.gz JBEKQYFOQZKKGL-SNVBAGLBSA-N -1 1 388.382 1.119 20 0 GDADMM CC(C)(C)C(=O)N1CCC([C@H]2CCCN2c2nccnc2-c2nnn[n-]2)CC1 ZINC001573791535 949218409 /nfs/dbraw/zinc/21/84/09/949218409.db2.gz BQVSJFCDRJPSBP-CQSZACIVSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)(C)C(=O)N1CCC([C@H]2CCCN2c2nccnc2-c2nn[n-]n2)CC1 ZINC001573791535 949218434 /nfs/dbraw/zinc/21/84/34/949218434.db2.gz BQVSJFCDRJPSBP-CQSZACIVSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(Cl)s1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574937267 949224275 /nfs/dbraw/zinc/22/42/75/949224275.db2.gz NPWJFFGBJINOHP-VIFPVBQESA-N -1 1 392.876 1.779 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(Cl)s1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574937267 949224295 /nfs/dbraw/zinc/22/42/95/949224295.db2.gz NPWJFFGBJINOHP-VIFPVBQESA-N -1 1 392.876 1.779 20 0 GDADMM CC(C)c1oncc1C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001574451273 949226770 /nfs/dbraw/zinc/22/67/70/949226770.db2.gz JQXKXBJKWHYOHD-XYPYZODXSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1oncc1C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001574451273 949226784 /nfs/dbraw/zinc/22/67/84/949226784.db2.gz JQXKXBJKWHYOHD-XYPYZODXSA-N -1 1 383.416 1.389 20 0 GDADMM C[C@H](CNC(=O)Cc1c(F)cccc1Cl)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574937715 949229589 /nfs/dbraw/zinc/22/95/89/949229589.db2.gz QBDNIQLDFCVJNH-SECBINFHSA-N -1 1 390.810 1.609 20 0 GDADMM C[C@H](CNC(=O)Cc1c(F)cccc1Cl)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574937715 949229610 /nfs/dbraw/zinc/22/96/10/949229610.db2.gz QBDNIQLDFCVJNH-SECBINFHSA-N -1 1 390.810 1.609 20 0 GDADMM CC(C)c1scnc1C(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574451535 949237774 /nfs/dbraw/zinc/23/77/74/949237774.db2.gz RFWVKXXGNJGWBC-UHFFFAOYSA-N -1 1 385.457 1.199 20 0 GDADMM CC(C)c1scnc1C(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574451535 949237797 /nfs/dbraw/zinc/23/77/97/949237797.db2.gz RFWVKXXGNJGWBC-UHFFFAOYSA-N -1 1 385.457 1.199 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574451529 949239811 /nfs/dbraw/zinc/23/98/11/949239811.db2.gz QYGYFVZIJNXKRT-XYPYZODXSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574451529 949239833 /nfs/dbraw/zinc/23/98/33/949239833.db2.gz QYGYFVZIJNXKRT-XYPYZODXSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1oncc1C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCC1 ZINC001574451736 949245624 /nfs/dbraw/zinc/24/56/24/949245624.db2.gz WIXHIRBNBICCPH-UHFFFAOYSA-N -1 1 383.416 1.533 20 0 GDADMM CC(C)c1oncc1C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCC1 ZINC001574451736 949245643 /nfs/dbraw/zinc/24/56/43/949245643.db2.gz WIXHIRBNBICCPH-UHFFFAOYSA-N -1 1 383.416 1.533 20 0 GDADMM CC(C)(C)C(=O)C(=O)NCCC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001573792567 949255953 /nfs/dbraw/zinc/25/59/53/949255953.db2.gz AQXFPGYHFZWOIX-LBPRGKRZSA-N -1 1 386.460 1.137 20 0 GDADMM CC(C)(C)C(=O)C(=O)NCCC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001573792567 949255973 /nfs/dbraw/zinc/25/59/73/949255973.db2.gz AQXFPGYHFZWOIX-LBPRGKRZSA-N -1 1 386.460 1.137 20 0 GDADMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc3c2OCC(=O)N3)cc(F)c1F ZINC000378026242 971566776 /nfs/dbraw/zinc/56/67/76/971566776.db2.gz NUOXCGIJBWZWSN-UHFFFAOYSA-N -1 1 384.316 1.795 20 0 GDADMM CC(C)n1cc(C(=O)N2CC[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001574452234 949258186 /nfs/dbraw/zinc/25/81/86/949258186.db2.gz HDIPQLWJZFWZHD-LBPRGKRZSA-N -1 1 382.432 1.008 20 0 GDADMM CC(C)n1cc(C(=O)N2CC[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001574452234 949258208 /nfs/dbraw/zinc/25/82/08/949258208.db2.gz HDIPQLWJZFWZHD-LBPRGKRZSA-N -1 1 382.432 1.008 20 0 GDADMM CC(C)n1cc(C(=O)N(C)C2CC(Nc3ccc(-c4nnn[n-]4)nn3)C2)cn1 ZINC001574452278 949259692 /nfs/dbraw/zinc/25/96/92/949259692.db2.gz IRJUWEKZWDWPEY-UHFFFAOYSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1cc(C(=O)N(C)C2CC(Nc3ccc(-c4nn[n-]n4)nn3)C2)cn1 ZINC001574452278 949259717 /nfs/dbraw/zinc/25/97/17/949259717.db2.gz IRJUWEKZWDWPEY-UHFFFAOYSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)CC(=O)N1CCC([C@@H]2CCCN2c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574103664 949260178 /nfs/dbraw/zinc/26/01/78/949260178.db2.gz ZQPFFUHHEURQMY-INIZCTEOSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CC(=O)N1CCC([C@@H]2CCCN2c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574103664 949260194 /nfs/dbraw/zinc/26/01/94/949260194.db2.gz ZQPFFUHHEURQMY-INIZCTEOSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574452510 949263019 /nfs/dbraw/zinc/26/30/19/949263019.db2.gz LNWYXIHUUGBHBK-JTQLQIEISA-N -1 1 385.457 1.245 20 0 GDADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)Cc2cncs2)CC1 ZINC001575857201 949266259 /nfs/dbraw/zinc/26/62/59/949266259.db2.gz PKIDEYCYUDUSGM-UHFFFAOYSA-N -1 1 385.457 1.149 20 0 GDADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)Cc2cncs2)CC1 ZINC001575857201 949266272 /nfs/dbraw/zinc/26/62/72/949266272.db2.gz PKIDEYCYUDUSGM-UHFFFAOYSA-N -1 1 385.457 1.149 20 0 GDADMM CC(C)n1cc(C(=O)N2CCC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001574452538 949266686 /nfs/dbraw/zinc/26/66/86/949266686.db2.gz MRGBYQUWJCUYPY-CYBMUJFWSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1cc(C(=O)N2CCC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001574452538 949266708 /nfs/dbraw/zinc/26/67/08/949266708.db2.gz MRGBYQUWJCUYPY-CYBMUJFWSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@H](CN(C)C(=O)C1(Cc2ccccc2)CC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574702635 949285375 /nfs/dbraw/zinc/28/53/75/949285375.db2.gz JTIREZHNQLHBFC-CQSZACIVSA-N -1 1 392.467 1.938 20 0 GDADMM C[C@H](CN(C)C(=O)C1(Cc2ccccc2)CC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574702635 949285397 /nfs/dbraw/zinc/28/53/97/949285397.db2.gz JTIREZHNQLHBFC-CQSZACIVSA-N -1 1 392.467 1.938 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccon1 ZINC001576153696 949295385 /nfs/dbraw/zinc/29/53/85/949295385.db2.gz ABQAYZUNUVEAFE-GTNSWQLSSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccon1 ZINC001576153696 949295410 /nfs/dbraw/zinc/29/54/10/949295410.db2.gz ABQAYZUNUVEAFE-GTNSWQLSSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@H]1CCC[C@@H]1CC(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001576153806 949300109 /nfs/dbraw/zinc/30/01/09/949300109.db2.gz BIQWYBVFEFHHCV-LJISPDSOSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H]1CCC[C@@H]1CC(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001576153806 949300125 /nfs/dbraw/zinc/30/01/25/949300125.db2.gz BIQWYBVFEFHHCV-LJISPDSOSA-N -1 1 382.472 1.378 20 0 GDADMM CC1=C(C)C[C@@](C)(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001575860660 949306185 /nfs/dbraw/zinc/30/61/85/949306185.db2.gz KRBFVYSMPMEEEY-LIRRHRJNSA-N -1 1 382.472 1.878 20 0 GDADMM CC1=C(C)C[C@@](C)(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001575860660 949306209 /nfs/dbraw/zinc/30/62/09/949306209.db2.gz KRBFVYSMPMEEEY-LIRRHRJNSA-N -1 1 382.472 1.878 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cocn1 ZINC001576154103 949314587 /nfs/dbraw/zinc/31/45/87/949314587.db2.gz BZXLAIPCWXOMFC-DIFFPNOSSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cocn1 ZINC001576154103 949314608 /nfs/dbraw/zinc/31/46/08/949314608.db2.gz BZXLAIPCWXOMFC-DIFFPNOSSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@H](NC(=O)C1CC(F)(F)C1)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575258926 949320598 /nfs/dbraw/zinc/32/05/98/949320598.db2.gz LZJWIDUDXMEBQT-WDEREUQCSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@H](NC(=O)C1CC(F)(F)C1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575258926 949320621 /nfs/dbraw/zinc/32/06/21/949320621.db2.gz LZJWIDUDXMEBQT-WDEREUQCSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@H]1CCC[C@@H]1CC(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001576154150 949321294 /nfs/dbraw/zinc/32/12/94/949321294.db2.gz CDWCKOQHJORPIG-QWHCGFSZSA-N -1 1 390.513 1.417 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574703952 949362484 /nfs/dbraw/zinc/36/24/84/949362484.db2.gz IFJCTOJIIAZFDI-VUYXQBRFSA-N -1 1 390.451 1.501 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574703952 949362501 /nfs/dbraw/zinc/36/25/01/949362501.db2.gz IFJCTOJIIAZFDI-VUYXQBRFSA-N -1 1 390.451 1.501 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2(C)CC(F)(F)C2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575865744 949384091 /nfs/dbraw/zinc/38/40/91/949384091.db2.gz BQEMOWMRJMQZMK-MNOVXSKESA-N -1 1 392.414 1.566 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2(C)CC(F)(F)C2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575865744 949384114 /nfs/dbraw/zinc/38/41/14/949384114.db2.gz BQEMOWMRJMQZMK-MNOVXSKESA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H](CNC(=O)Cc1cnoc1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574944363 949392999 /nfs/dbraw/zinc/39/29/99/949392999.db2.gz BIYAVTIFYBNRRK-SSDOTTSWSA-N -1 1 382.837 1.372 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C(C)(C)C(F)F)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575866104 949394886 /nfs/dbraw/zinc/39/48/86/949394886.db2.gz CVMHWXSQINIJJR-NXEZZACHSA-N -1 1 380.403 1.422 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C(C)(C)C(F)F)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575866104 949394909 /nfs/dbraw/zinc/39/49/09/949394909.db2.gz CVMHWXSQINIJJR-NXEZZACHSA-N -1 1 380.403 1.422 20 0 GDADMM C[C@H](C(=O)[O-])C(=O)N1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1 ZINC001602802419 971577801 /nfs/dbraw/zinc/57/78/01/971577801.db2.gz UFGNUWOZNRETMN-XDTLVQLUSA-N -1 1 390.333 1.909 20 0 GDADMM CC1(C(=O)N2CC[C@@H](CCNc3nccnc3-c3nnn[n-]3)C2)CCOCC1 ZINC001575532853 949406462 /nfs/dbraw/zinc/40/64/62/949406462.db2.gz AUGLEFILXLIXAG-CYBMUJFWSA-N -1 1 386.460 1.124 20 0 GDADMM CC1(C(=O)N2CC[C@@H](CCNc3nccnc3-c3nn[n-]n3)C2)CCOCC1 ZINC001575532853 949406479 /nfs/dbraw/zinc/40/64/79/949406479.db2.gz AUGLEFILXLIXAG-CYBMUJFWSA-N -1 1 386.460 1.124 20 0 GDADMM CC(C)n1cnc(C(=O)N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001574464699 949424060 /nfs/dbraw/zinc/42/40/60/949424060.db2.gz SJLKYFLUPCXOPZ-GFCCVEGCSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1cnc(C(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001574464699 949424070 /nfs/dbraw/zinc/42/40/70/949424070.db2.gz SJLKYFLUPCXOPZ-GFCCVEGCSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@H]1CCC[C@@H](C(=O)N2C[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]3C2)C1 ZINC001576156290 949440875 /nfs/dbraw/zinc/44/08/75/949440875.db2.gz VRLZLMPRAJGOPT-LJISPDSOSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H]1CCC[C@@H](C(=O)N2C[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]3C2)C1 ZINC001576156290 949440884 /nfs/dbraw/zinc/44/08/84/949440884.db2.gz VRLZLMPRAJGOPT-LJISPDSOSA-N -1 1 382.472 1.378 20 0 GDADMM CC1(C(=O)N2CC[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)CC(F)(F)C1 ZINC001575535235 949441304 /nfs/dbraw/zinc/44/13/04/949441304.db2.gz UTPVBUVZZXKVLA-SNVBAGLBSA-N -1 1 378.387 1.353 20 0 GDADMM CC1(C(=O)N2CC[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)CC(F)(F)C1 ZINC001575535235 949441314 /nfs/dbraw/zinc/44/13/14/949441314.db2.gz UTPVBUVZZXKVLA-SNVBAGLBSA-N -1 1 378.387 1.353 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@H](Nc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001574465744 949448041 /nfs/dbraw/zinc/44/80/41/949448041.db2.gz YNSMNKFMJRFOBQ-ZDUSSCGKSA-N -1 1 381.444 1.660 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@H](Nc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001574465744 949448058 /nfs/dbraw/zinc/44/80/58/949448058.db2.gz YNSMNKFMJRFOBQ-ZDUSSCGKSA-N -1 1 381.444 1.660 20 0 GDADMM C[C@H]1CCC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576156526 949450214 /nfs/dbraw/zinc/45/02/14/949450214.db2.gz WXSVKOAIZMLFFS-ZQDZILKHSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H]1CCC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576156526 949450227 /nfs/dbraw/zinc/45/02/27/949450227.db2.gz WXSVKOAIZMLFFS-ZQDZILKHSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCC(F)(F)C1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574707158 949467389 /nfs/dbraw/zinc/46/73/89/949467389.db2.gz NRWVROCLQMYFIE-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCC(F)(F)C1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574707158 949467402 /nfs/dbraw/zinc/46/74/02/949467402.db2.gz NRWVROCLQMYFIE-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM CC1(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)CCC(F)(F)CC1 ZINC001575537402 949492657 /nfs/dbraw/zinc/49/26/57/949492657.db2.gz UKUKSVGALBNYLK-NSHDSACASA-N -1 1 392.414 1.885 20 0 GDADMM CC1(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)CCC(F)(F)CC1 ZINC001575537402 949492666 /nfs/dbraw/zinc/49/26/66/949492666.db2.gz UKUKSVGALBNYLK-NSHDSACASA-N -1 1 392.414 1.885 20 0 GDADMM C[C@@H]1[C@H](CO)CCN1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC001575870645 949496560 /nfs/dbraw/zinc/49/65/60/949496560.db2.gz VWPBXYIJAJGDNY-MNOVXSKESA-N -1 1 386.391 1.426 20 0 GDADMM C[C@H](CN(C)C(=O)C1CC2(C1)CCOCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574708832 949497885 /nfs/dbraw/zinc/49/78/85/949497885.db2.gz XOIRYIPLXHEAII-GFCCVEGCSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H](CN(C)C(=O)C1CC2(C1)CCOCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574708832 949497908 /nfs/dbraw/zinc/49/79/08/949497908.db2.gz XOIRYIPLXHEAII-GFCCVEGCSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1CCCOC1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574709554 949507792 /nfs/dbraw/zinc/50/77/92/949507792.db2.gz ZZADAGDGKVSFJB-BDAKNGLRSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1CCCOC1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574709554 949507817 /nfs/dbraw/zinc/50/78/17/949507817.db2.gz ZZADAGDGKVSFJB-BDAKNGLRSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C(C2CC2)C2CC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575871119 949511166 /nfs/dbraw/zinc/51/11/66/949511166.db2.gz ZDJDGUJWNBIIHA-BXUZGUMPSA-N -1 1 382.472 1.566 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C(C2CC2)C2CC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575871119 949511181 /nfs/dbraw/zinc/51/11/81/949511181.db2.gz ZDJDGUJWNBIIHA-BXUZGUMPSA-N -1 1 382.472 1.566 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1Cc2ccc(F)cc21)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574711141 949528601 /nfs/dbraw/zinc/52/86/01/949528601.db2.gz DNLKZWQVAAGGGC-QMTHXVAHSA-N -1 1 382.403 1.395 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1Cc2ccc(F)cc21)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574711141 949528619 /nfs/dbraw/zinc/52/86/19/949528619.db2.gz DNLKZWQVAAGGGC-QMTHXVAHSA-N -1 1 382.403 1.395 20 0 GDADMM C[C@H](NC(=O)CCC1(C)CC1)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575268728 949529192 /nfs/dbraw/zinc/52/91/92/949529192.db2.gz OLGRLYKYNBOBCP-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCCC[C@@H]1OCC(=O)N(C)CCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001576163647 949540913 /nfs/dbraw/zinc/54/09/13/949540913.db2.gz CNJYQALRWSJYIM-ZFWWWQNUSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@H]1CCCC[C@@H]1OCC(=O)N(C)CCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001576163647 949540931 /nfs/dbraw/zinc/54/09/31/949540931.db2.gz CNJYQALRWSJYIM-ZFWWWQNUSA-N -1 1 388.476 1.147 20 0 GDADMM CC(C)CC(=O)NCc1cccc2c1CCN(c1nccnc1-c1nnn[n-]1)C2 ZINC001574123292 949549435 /nfs/dbraw/zinc/54/94/35/949549435.db2.gz RKAHKIBSKNAPLN-UHFFFAOYSA-N -1 1 392.467 1.882 20 0 GDADMM CC(C)CC(=O)NCc1cccc2c1CCN(c1nccnc1-c1nn[n-]n1)C2 ZINC001574123292 949549444 /nfs/dbraw/zinc/54/94/44/949549444.db2.gz RKAHKIBSKNAPLN-UHFFFAOYSA-N -1 1 392.467 1.882 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)C[C@H](C)c1ccncc1 ZINC001574472461 949554273 /nfs/dbraw/zinc/55/42/73/949554273.db2.gz VCWJSQVDVICCIG-QWHCGFSZSA-N -1 1 381.444 1.504 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)C[C@H](C)c1ccncc1 ZINC001574472461 949554302 /nfs/dbraw/zinc/55/43/02/949554302.db2.gz VCWJSQVDVICCIG-QWHCGFSZSA-N -1 1 381.444 1.504 20 0 GDADMM C[C@@H](NC(=O)CC1(C(F)(F)F)CC1)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575269648 949558212 /nfs/dbraw/zinc/55/82/12/949558212.db2.gz WCDKORGHCLQOOT-DTWKUNHWSA-N -1 1 384.366 1.116 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2CC3(CCC3)C2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575873020 949565488 /nfs/dbraw/zinc/56/54/88/949565488.db2.gz MRODXZLQYJEXMW-TZMCWYRMSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2CC3(CCC3)C2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575873020 949565506 /nfs/dbraw/zinc/56/55/06/949565506.db2.gz MRODXZLQYJEXMW-TZMCWYRMSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@@H](CN(C)C(=O)C1Cc2ccccc2C1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574712867 949591529 /nfs/dbraw/zinc/59/15/29/949591529.db2.gz UJHDQOMSKFMLOP-LBPRGKRZSA-N -1 1 378.440 1.331 20 0 GDADMM C[C@@H](CN(C)C(=O)C1Cc2ccccc2C1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574712867 949591544 /nfs/dbraw/zinc/59/15/44/949591544.db2.gz UJHDQOMSKFMLOP-LBPRGKRZSA-N -1 1 378.440 1.331 20 0 GDADMM C[C@H]1CCCC[C@H]1CC(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001576166784 949592006 /nfs/dbraw/zinc/59/20/06/949592006.db2.gz AHNHRBQTYLXZRH-KBPBESRZSA-N -1 1 388.476 1.106 20 0 GDADMM C[C@H]1CCCC[C@H]1CC(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001576166784 949592032 /nfs/dbraw/zinc/59/20/32/949592032.db2.gz AHNHRBQTYLXZRH-KBPBESRZSA-N -1 1 388.476 1.106 20 0 GDADMM C[C@H]1CCCN(C(=O)C2C=CC=CC=C2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576167537 949607712 /nfs/dbraw/zinc/60/77/12/949607712.db2.gz QDSUVLCXGKVRRP-GOEBONIOSA-N -1 1 392.467 1.416 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC(C)(C)O)[C@@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576167549 949609711 /nfs/dbraw/zinc/60/97/11/949609711.db2.gz QIBTXYZZIJDSHJ-TZMCWYRMSA-N -1 1 388.476 1.247 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC(C)(C)O)[C@@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576167549 949609725 /nfs/dbraw/zinc/60/97/25/949609725.db2.gz QIBTXYZZIJDSHJ-TZMCWYRMSA-N -1 1 388.476 1.247 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2(F)CCCC2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576167583 949612406 /nfs/dbraw/zinc/61/24/06/949612406.db2.gz QZCXTTYSWLIBJM-TZMCWYRMSA-N -1 1 388.451 1.978 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2(F)CCCC2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576167583 949612419 /nfs/dbraw/zinc/61/24/19/949612419.db2.gz QZCXTTYSWLIBJM-TZMCWYRMSA-N -1 1 388.451 1.978 20 0 GDADMM C[C@H]1CCCN(C(=O)Cc2ccccc2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576167984 949623566 /nfs/dbraw/zinc/62/35/66/949623566.db2.gz AZPDSHZLVILFFX-GOEBONIOSA-N -1 1 392.467 1.360 20 0 GDADMM C[C@@H](CC(=O)N(C)CCCN(C)c1cnc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001574476869 949626163 /nfs/dbraw/zinc/62/61/63/949626163.db2.gz KYFCTZBJEVEJNP-JTQLQIEISA-N -1 1 386.382 1.530 20 0 GDADMM C[C@@H](CC(=O)N(C)CCCN(C)c1cnc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001574476869 949626174 /nfs/dbraw/zinc/62/61/74/949626174.db2.gz KYFCTZBJEVEJNP-JTQLQIEISA-N -1 1 386.382 1.530 20 0 GDADMM C[C@]1(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CCc2ccccc21 ZINC001575547581 949629093 /nfs/dbraw/zinc/62/90/93/949629093.db2.gz BCXLARCGQJZWLL-FQEVSTJZSA-N -1 1 390.451 1.209 20 0 GDADMM C[C@]1(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CCc2ccccc21 ZINC001575547581 949629102 /nfs/dbraw/zinc/62/91/02/949629102.db2.gz BCXLARCGQJZWLL-FQEVSTJZSA-N -1 1 390.451 1.209 20 0 GDADMM C[C@H](CC(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1)c1ccc(F)cc1 ZINC001574477135 949638292 /nfs/dbraw/zinc/63/82/92/949638292.db2.gz KELSTCKVNNTDIF-GFCCVEGCSA-N -1 1 384.419 1.860 20 0 GDADMM C[C@H](CC(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC001574477135 949638314 /nfs/dbraw/zinc/63/83/14/949638314.db2.gz KELSTCKVNNTDIF-GFCCVEGCSA-N -1 1 384.419 1.860 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC(C)(F)F)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576168459 949640499 /nfs/dbraw/zinc/64/04/99/949640499.db2.gz UQABQVHDZIZVTR-ZYHUDNBSSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC(C)(F)F)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576168459 949640512 /nfs/dbraw/zinc/64/05/12/949640512.db2.gz UQABQVHDZIZVTR-ZYHUDNBSSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H]1CCCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576168568 949646230 /nfs/dbraw/zinc/64/62/30/949646230.db2.gz BZFRGYAKTRMNIE-USRAEIGSSA-N -1 1 382.472 1.742 20 0 GDADMM C[C@@H]1CCCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576168568 949646252 /nfs/dbraw/zinc/64/62/52/949646252.db2.gz BZFRGYAKTRMNIE-USRAEIGSSA-N -1 1 382.472 1.742 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2=COCCC2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576168910 949653533 /nfs/dbraw/zinc/65/35/33/949653533.db2.gz WPOLYYOEIHCXRD-DOMZBBRYSA-N -1 1 384.444 1.390 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2=COCCC2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576168910 949653540 /nfs/dbraw/zinc/65/35/40/949653540.db2.gz WPOLYYOEIHCXRD-DOMZBBRYSA-N -1 1 384.444 1.390 20 0 GDADMM CC(C)CC(C)(C)C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001574131188 949653884 /nfs/dbraw/zinc/65/38/84/949653884.db2.gz AQQOXTXJQIPGAF-ZSOGYDGISA-N -1 1 384.488 1.527 20 0 GDADMM CC(C)CC(C)(C)C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001574131188 949653894 /nfs/dbraw/zinc/65/38/94/949653894.db2.gz AQQOXTXJQIPGAF-ZSOGYDGISA-N -1 1 384.488 1.527 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)COC1CCCC1 ZINC001573815795 949656034 /nfs/dbraw/zinc/65/60/34/949656034.db2.gz KCLNXSRGIFKGRW-AWEZNQCLSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)COC1CCCC1 ZINC001573815795 949656050 /nfs/dbraw/zinc/65/60/50/949656050.db2.gz KCLNXSRGIFKGRW-AWEZNQCLSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CC(C)(C)C2CC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575877287 949661214 /nfs/dbraw/zinc/66/12/14/949661214.db2.gz ZGHARGQDGBVQAX-TZMCWYRMSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CC(C)(C)C2CC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575877287 949661224 /nfs/dbraw/zinc/66/12/24/949661224.db2.gz ZGHARGQDGBVQAX-TZMCWYRMSA-N -1 1 384.488 1.957 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C1(CF)CCC1 ZINC001573816323 949675135 /nfs/dbraw/zinc/67/51/35/949675135.db2.gz QHSFIBMMUIUYDS-LBPRGKRZSA-N -1 1 376.440 1.739 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C1(CF)CCC1 ZINC001573816323 949675147 /nfs/dbraw/zinc/67/51/47/949675147.db2.gz QHSFIBMMUIUYDS-LBPRGKRZSA-N -1 1 376.440 1.739 20 0 GDADMM C[C@H]1CCCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576169547 949678574 /nfs/dbraw/zinc/67/85/74/949678574.db2.gz HEOIPESCJJGTDP-ZHMBSYLPSA-N -1 1 382.472 1.742 20 0 GDADMM C[C@H]1CCCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576169547 949678591 /nfs/dbraw/zinc/67/85/91/949678591.db2.gz HEOIPESCJJGTDP-ZHMBSYLPSA-N -1 1 382.472 1.742 20 0 GDADMM C[C@H]1[C@H](NC(=O)CCc2ccccc2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575879310 949686304 /nfs/dbraw/zinc/68/63/04/949686304.db2.gz QFGQMPNUHRHAIH-GOEBONIOSA-N -1 1 392.467 1.763 20 0 GDADMM C[C@H]1[C@H](NC(=O)CCc2ccccc2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575879310 949686314 /nfs/dbraw/zinc/68/63/14/949686314.db2.gz QFGQMPNUHRHAIH-GOEBONIOSA-N -1 1 392.467 1.763 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H]1Cc2ccccc21 ZINC001573817113 949694396 /nfs/dbraw/zinc/69/43/96/949694396.db2.gz XFAIANSSRVQCKM-GOEBONIOSA-N -1 1 392.467 1.939 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H]1Cc2ccccc21 ZINC001573817113 949694410 /nfs/dbraw/zinc/69/44/10/949694410.db2.gz XFAIANSSRVQCKM-GOEBONIOSA-N -1 1 392.467 1.939 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CCc2ccoc2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575880208 949697446 /nfs/dbraw/zinc/69/74/46/949697446.db2.gz SGDNHFBPBHVCMV-OCCSQVGLSA-N -1 1 382.428 1.356 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CCc2ccoc2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575880208 949697458 /nfs/dbraw/zinc/69/74/58/949697458.db2.gz SGDNHFBPBHVCMV-OCCSQVGLSA-N -1 1 382.428 1.356 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCCC12CC2 ZINC001573817290 949697901 /nfs/dbraw/zinc/69/79/01/949697901.db2.gz ZETISFZLXPEKOG-QWHCGFSZSA-N -1 1 384.488 1.602 20 0 GDADMM C[C@H]1CCCN(C(=O)Cc2ccoc2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576169950 949698788 /nfs/dbraw/zinc/69/87/88/949698788.db2.gz IIHDAHWWOIZJHX-WFASDCNBSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@H]1CCCN(C(=O)Cc2ccoc2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576169950 949698806 /nfs/dbraw/zinc/69/88/06/949698806.db2.gz IIHDAHWWOIZJHX-WFASDCNBSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@@H]1CCCC[C@H]1CC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001576170563 949722042 /nfs/dbraw/zinc/72/20/42/949722042.db2.gz LRZGWMHQDNNDHN-MTVAPTMQSA-N -1 1 382.472 1.424 20 0 GDADMM C[C@@H]1CCCC[C@H]1CC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001576170563 949722066 /nfs/dbraw/zinc/72/20/66/949722066.db2.gz LRZGWMHQDNNDHN-MTVAPTMQSA-N -1 1 382.472 1.424 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574960400 949724198 /nfs/dbraw/zinc/72/41/98/949724198.db2.gz WVMPFRLIDBREIZ-LEWSCRJBSA-N -1 1 382.403 1.516 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574960400 949724224 /nfs/dbraw/zinc/72/42/24/949724224.db2.gz WVMPFRLIDBREIZ-LEWSCRJBSA-N -1 1 382.403 1.516 20 0 GDADMM C[C@@H](NC(=O)CCc1ccccc1F)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575276939 949736238 /nfs/dbraw/zinc/73/62/38/949736238.db2.gz MZGWFOMDLZVCHR-VXGBXAGGSA-N -1 1 384.419 1.734 20 0 GDADMM C[C@@H](NC(=O)CCc1ccccc1F)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575276939 949736251 /nfs/dbraw/zinc/73/62/51/949736251.db2.gz MZGWFOMDLZVCHR-VXGBXAGGSA-N -1 1 384.419 1.734 20 0 GDADMM C[C@@H]1CCCC[C@H]1C(=O)NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576170772 949739428 /nfs/dbraw/zinc/73/94/28/949739428.db2.gz MVMKWVUJTYTIQG-UKRRQHHQSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H]1CCCC[C@H]1CC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001576171138 949753509 /nfs/dbraw/zinc/75/35/09/949753509.db2.gz OVDIJVMODOXXOA-AQRJEWBLSA-N -1 1 382.472 1.424 20 0 GDADMM C[C@@H]1CCCC[C@H]1CC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001576171138 949753527 /nfs/dbraw/zinc/75/35/27/949753527.db2.gz OVDIJVMODOXXOA-AQRJEWBLSA-N -1 1 382.472 1.424 20 0 GDADMM C[C@H]1CCCC[C@H]1CC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001576171140 949753849 /nfs/dbraw/zinc/75/38/49/949753849.db2.gz OVDIJVMODOXXOA-GRYWWWGRSA-N -1 1 382.472 1.424 20 0 GDADMM C[C@H]1CCCC[C@H]1CC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001576171140 949753864 /nfs/dbraw/zinc/75/38/64/949753864.db2.gz OVDIJVMODOXXOA-GRYWWWGRSA-N -1 1 382.472 1.424 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574481015 949761945 /nfs/dbraw/zinc/76/19/45/949761945.db2.gz MCUJIEJCWGYVHR-CABCVRRESA-N -1 1 392.467 1.533 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CCc1ccon1 ZINC001573820311 949761727 /nfs/dbraw/zinc/76/17/27/949761727.db2.gz XJGPENOLWREFMF-CYBMUJFWSA-N -1 1 385.432 1.220 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CCc1ccon1 ZINC001573820311 949761751 /nfs/dbraw/zinc/76/17/51/949761751.db2.gz XJGPENOLWREFMF-CYBMUJFWSA-N -1 1 385.432 1.220 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H]1CCC1(F)F ZINC001573820749 949766720 /nfs/dbraw/zinc/76/67/20/949766720.db2.gz ZXCKZSKWRRJUPH-KOLCDFICSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H]1CCC1(F)F ZINC001573820749 949766735 /nfs/dbraw/zinc/76/67/35/949766735.db2.gz ZXCKZSKWRRJUPH-KOLCDFICSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)Cc1cccs1 ZINC001573821701 949777184 /nfs/dbraw/zinc/77/71/84/949777184.db2.gz CVRGVSWOXXHHON-GFCCVEGCSA-N -1 1 386.485 1.904 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)Cc1cccs1 ZINC001573821701 949777199 /nfs/dbraw/zinc/77/71/99/949777199.db2.gz CVRGVSWOXXHHON-GFCCVEGCSA-N -1 1 386.485 1.904 20 0 GDADMM CC1(C(=O)N[C@@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C23CCC3)CCCC1 ZINC001575560216 949785593 /nfs/dbraw/zinc/78/55/93/949785593.db2.gz MRUJTGSCUNWUFO-QWHCGFSZSA-N -1 1 382.472 1.498 20 0 GDADMM C[C@H]1CCCC[C@H]1CC(=O)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001576172020 949786966 /nfs/dbraw/zinc/78/69/66/949786966.db2.gz SNIQCPBIWBEMMW-GJZGRUSLSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@H]1CCCC[C@H]1CC(=O)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001576172020 949786985 /nfs/dbraw/zinc/78/69/85/949786985.db2.gz SNIQCPBIWBEMMW-GJZGRUSLSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@@H](CNC(=O)c1c(F)cc(F)cc1F)Nc1nccnc1-c1nnn[n-]1 ZINC001574964833 949787530 /nfs/dbraw/zinc/78/75/30/949787530.db2.gz AMIIPYULRCDFEZ-ZETCQYMHSA-N -1 1 378.318 1.304 20 0 GDADMM C[C@@H](CNC(=O)c1c(F)cc(F)cc1F)Nc1nccnc1-c1nn[n-]n1 ZINC001574964833 949787557 /nfs/dbraw/zinc/78/75/57/949787557.db2.gz AMIIPYULRCDFEZ-ZETCQYMHSA-N -1 1 378.318 1.304 20 0 GDADMM CC(C)C[C@H](C)CC(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001574138769 949797955 /nfs/dbraw/zinc/79/79/55/949797955.db2.gz GGAPBYYGKJDLHK-ZQDZILKHSA-N -1 1 384.488 1.527 20 0 GDADMM CC(C)C[C@H](C)CC(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001574138769 949797980 /nfs/dbraw/zinc/79/79/80/949797980.db2.gz GGAPBYYGKJDLHK-ZQDZILKHSA-N -1 1 384.488 1.527 20 0 GDADMM C[C@@H](CC(=O)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1)n1cccc1 ZINC001574481851 949804720 /nfs/dbraw/zinc/80/47/20/949804720.db2.gz WHURVBZBHXWWSF-ZDUSSCGKSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@@H](CC(=O)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1)n1cccc1 ZINC001574481851 949804738 /nfs/dbraw/zinc/80/47/38/949804738.db2.gz WHURVBZBHXWWSF-ZDUSSCGKSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1 ZINC001574481860 949806654 /nfs/dbraw/zinc/80/66/54/949806654.db2.gz WKRPKXCPSUXNSJ-HOCLYGCPSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1 ZINC001574481860 949806674 /nfs/dbraw/zinc/80/66/74/949806674.db2.gz WKRPKXCPSUXNSJ-HOCLYGCPSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@H](CNC(=O)c1c(Cl)n[nH]c1C1CC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574965591 949808212 /nfs/dbraw/zinc/80/82/12/949808212.db2.gz HNBDSANLZSVRNZ-SSDOTTSWSA-N -1 1 388.823 1.141 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2cc(Cl)c[nH]2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575883499 949821305 /nfs/dbraw/zinc/82/13/05/949821305.db2.gz GARIBJVBUWWQHM-KOLCDFICSA-N -1 1 387.835 1.426 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2cc(Cl)c[nH]2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575883499 949821323 /nfs/dbraw/zinc/82/13/23/949821323.db2.gz GARIBJVBUWWQHM-KOLCDFICSA-N -1 1 387.835 1.426 20 0 GDADMM CC1(C(=O)N[C@@H]2CCC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CCOCC1 ZINC001575562337 949821936 /nfs/dbraw/zinc/82/19/36/949821936.db2.gz FODXAKZFCRKETG-QWHCGFSZSA-N -1 1 386.460 1.313 20 0 GDADMM CC1(C(=O)N[C@@H]2CCC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CCOCC1 ZINC001575562337 949821956 /nfs/dbraw/zinc/82/19/56/949821956.db2.gz FODXAKZFCRKETG-QWHCGFSZSA-N -1 1 386.460 1.313 20 0 GDADMM CC1(C(=O)N[C@@H]2CCC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CCOCC1 ZINC001575562333 949822335 /nfs/dbraw/zinc/82/23/35/949822335.db2.gz FODXAKZFCRKETG-CHWSQXEVSA-N -1 1 386.460 1.313 20 0 GDADMM CC1(C(=O)N[C@@H]2CCC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CCOCC1 ZINC001575562333 949822351 /nfs/dbraw/zinc/82/23/51/949822351.db2.gz FODXAKZFCRKETG-CHWSQXEVSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](CNC(=O)c1c(F)cc(F)cc1F)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574965933 949826532 /nfs/dbraw/zinc/82/65/32/949826532.db2.gz OZYIDPXZAIMMOH-QMMMGPOBSA-N -1 1 392.345 1.329 20 0 GDADMM C[C@@H](CNC(=O)c1c(F)cc(F)cc1F)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574965933 949826555 /nfs/dbraw/zinc/82/65/55/949826555.db2.gz OZYIDPXZAIMMOH-QMMMGPOBSA-N -1 1 392.345 1.329 20 0 GDADMM CC(C)(C)C12CC(C(=O)N[C@H]3CCN(c4cnc(-c5nnn[n-]5)cn4)C3)(C1)C2 ZINC001573823890 949842971 /nfs/dbraw/zinc/84/29/71/949842971.db2.gz AQIMOGMQJNPFMV-RMEHTXHKSA-N -1 1 382.472 1.568 20 0 GDADMM CC(C)(C)C12CC(C(=O)N[C@H]3CCN(c4cnc(-c5nn[n-]n5)cn4)C3)(C1)C2 ZINC001573823890 949842993 /nfs/dbraw/zinc/84/29/93/949842993.db2.gz AQIMOGMQJNPFMV-RMEHTXHKSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](CNC(=O)[C@H]1C[C@@H]1C(F)F)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574966343 949845457 /nfs/dbraw/zinc/84/54/57/949845457.db2.gz XTZRNJPWUYFDBS-SRQIZXRXSA-N -1 1 377.808 1.794 20 0 GDADMM CC(C)(C)C1CC(C(=O)NCC2(Nc3ccnc(-c4nn[n-]n4)n3)CCC2)C1 ZINC001573824152 949848072 /nfs/dbraw/zinc/84/80/72/949848072.db2.gz CZKJQRBGHZHHSS-UHFFFAOYSA-N -1 1 384.488 1.602 20 0 GDADMM C[C@@H]1CCCC[C@H]1CC(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576174087 949849081 /nfs/dbraw/zinc/84/90/81/949849081.db2.gz ZUOXEAFZLLVGSA-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2nccs2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576177806 949862027 /nfs/dbraw/zinc/86/20/27/949862027.db2.gz BRFKYYDMJKSHAH-ZYHUDNBSSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2nccs2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576177806 949862046 /nfs/dbraw/zinc/86/20/46/949862046.db2.gz BRFKYYDMJKSHAH-ZYHUDNBSSA-N -1 1 385.457 1.466 20 0 GDADMM CC1(C(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)CCOCC1 ZINC001575569082 949907240 /nfs/dbraw/zinc/90/72/40/949907240.db2.gz FTAVWLNPHXPYGZ-AWEZNQCLSA-N -1 1 388.447 1.513 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)C(F)(F)F ZINC001574484895 949907580 /nfs/dbraw/zinc/90/75/80/949907580.db2.gz RBCPIMPTGNIMSG-NXEZZACHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)C(F)(F)F ZINC001574484895 949907597 /nfs/dbraw/zinc/90/75/97/949907597.db2.gz RBCPIMPTGNIMSG-NXEZZACHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574484889 949908948 /nfs/dbraw/zinc/90/89/48/949908948.db2.gz QUXIOETYTGGHDN-HOCLYGCPSA-N -1 1 392.467 1.675 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccco1 ZINC001574485264 949918849 /nfs/dbraw/zinc/91/88/49/949918849.db2.gz VYZKZIHFONOSJN-OLZOCXBDSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574485264 949918871 /nfs/dbraw/zinc/91/88/71/949918871.db2.gz VYZKZIHFONOSJN-OLZOCXBDSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@H]1CCN(C(=O)C2(F)CCCC2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576179615 949922864 /nfs/dbraw/zinc/92/28/64/949922864.db2.gz BEOHPDRNRZWSDJ-QWHCGFSZSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@H]1CCN(C(=O)C2(F)CCCC2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576179615 949922884 /nfs/dbraw/zinc/92/28/84/949922884.db2.gz BEOHPDRNRZWSDJ-QWHCGFSZSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2ccc(Cl)[nH]2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575890825 949969051 /nfs/dbraw/zinc/96/90/51/949969051.db2.gz AARHGTNBDITHCN-VHSXEESVSA-N -1 1 387.835 1.426 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2ccc(Cl)[nH]2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575890825 949969065 /nfs/dbraw/zinc/96/90/65/949969065.db2.gz AARHGTNBDITHCN-VHSXEESVSA-N -1 1 387.835 1.426 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ccc2c(c1)CCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574728466 949986393 /nfs/dbraw/zinc/98/63/93/949986393.db2.gz AYOOCXRXODLBTB-ZDUSSCGKSA-N -1 1 392.467 1.647 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ccc2c(c1)CCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574728466 949986416 /nfs/dbraw/zinc/98/64/16/949986416.db2.gz AYOOCXRXODLBTB-ZDUSSCGKSA-N -1 1 392.467 1.647 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ccc(Cl)o2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575891263 949994627 /nfs/dbraw/zinc/99/46/27/949994627.db2.gz HCFIYTBXYBCJRO-ZJUUUORDSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ccc(Cl)o2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575891263 949994646 /nfs/dbraw/zinc/99/46/46/949994646.db2.gz HCFIYTBXYBCJRO-ZJUUUORDSA-N -1 1 388.819 1.690 20 0 GDADMM CC(C)(C)CC(=O)N1CCC2(C1)CCN(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001573831385 949997963 /nfs/dbraw/zinc/99/79/63/949997963.db2.gz WVSQILQDPNDIGV-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)(C)CC(=O)N1CCC2(C1)CCN(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001573831385 949997985 /nfs/dbraw/zinc/99/79/85/949997985.db2.gz WVSQILQDPNDIGV-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1)CC(C)(C)C ZINC001574490613 950007418 /nfs/dbraw/zinc/00/74/18/950007418.db2.gz WCCKFFOCNWAEEW-IHRRRGAJSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1)CC(C)(C)C ZINC001574490613 950007438 /nfs/dbraw/zinc/00/74/38/950007438.db2.gz WCCKFFOCNWAEEW-IHRRRGAJSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ccc(Cl)s1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574728941 950009968 /nfs/dbraw/zinc/00/99/68/950009968.db2.gz LISSHZBDQLOACE-VIFPVBQESA-N -1 1 392.876 1.873 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ccc(Cl)s1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574728941 950009989 /nfs/dbraw/zinc/00/99/89/950009989.db2.gz LISSHZBDQLOACE-VIFPVBQESA-N -1 1 392.876 1.873 20 0 GDADMM C[C@@H](CC(=O)N1C[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1)C1CC1 ZINC001574490827 950022403 /nfs/dbraw/zinc/02/24/03/950022403.db2.gz ZUWGEFXAKQDIRB-CFVMTHIKSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H](CC(=O)N1C[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1)C1CC1 ZINC001574490827 950022422 /nfs/dbraw/zinc/02/24/22/950022422.db2.gz ZUWGEFXAKQDIRB-CFVMTHIKSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H](CC(=O)N[C@@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001574491948 950049792 /nfs/dbraw/zinc/04/97/92/950049792.db2.gz HGUGLTCTRJBLOW-VLIAUNLRSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H](CC(=O)N[C@@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574491948 950049815 /nfs/dbraw/zinc/04/98/15/950049815.db2.gz HGUGLTCTRJBLOW-VLIAUNLRSA-N -1 1 392.467 1.936 20 0 GDADMM CC1(C(=O)NC[C@@H](Nc2nccnc2-c2nnn[n-]2)C2CC2)CC(F)(F)C1 ZINC001575575435 950052236 /nfs/dbraw/zinc/05/22/36/950052236.db2.gz JFWNYDAKTOSZHB-SNVBAGLBSA-N -1 1 378.387 1.399 20 0 GDADMM CC1(C(=O)NC[C@@H](Nc2nccnc2-c2nn[n-]n2)C2CC2)CC(F)(F)C1 ZINC001575575435 950052261 /nfs/dbraw/zinc/05/22/61/950052261.db2.gz JFWNYDAKTOSZHB-SNVBAGLBSA-N -1 1 378.387 1.399 20 0 GDADMM C[C@H]1CCN(C(=O)Cc2ccc[nH]2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576182927 950072093 /nfs/dbraw/zinc/07/20/93/950072093.db2.gz OAXFPPYBWHRYNB-QWHCGFSZSA-N -1 1 381.444 1.124 20 0 GDADMM C[C@H]1CCN(C(=O)Cc2ccc[nH]2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576182927 950072114 /nfs/dbraw/zinc/07/21/14/950072114.db2.gz OAXFPPYBWHRYNB-QWHCGFSZSA-N -1 1 381.444 1.124 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1 ZINC001574492336 950076809 /nfs/dbraw/zinc/07/68/09/950076809.db2.gz MCWIBURMTKTSGM-ZFWWWQNUSA-N -1 1 378.440 1.545 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1 ZINC001574492336 950076822 /nfs/dbraw/zinc/07/68/22/950076822.db2.gz MCWIBURMTKTSGM-ZFWWWQNUSA-N -1 1 378.440 1.545 20 0 GDADMM C[C@H]1CCN(C(=O)C2(CCF)CC2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576183325 950079378 /nfs/dbraw/zinc/07/93/78/950079378.db2.gz PIGZJVBBHXPMIF-QWHCGFSZSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@H]1CCN(C(=O)C2(CCF)CC2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576183325 950079399 /nfs/dbraw/zinc/07/93/99/950079399.db2.gz PIGZJVBBHXPMIF-QWHCGFSZSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H](C)Cc1ccccc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574733051 950093297 /nfs/dbraw/zinc/09/32/97/950093297.db2.gz QRJMVXGVZCXONK-UONOGXRCSA-N -1 1 380.456 1.216 20 0 GDADMM C[C@@]1(C(=O)NCC2(Nc3ccnc(-c4nn[n-]n4)n3)CC2)CCc2ccccc21 ZINC001575581988 950095816 /nfs/dbraw/zinc/09/58/16/950095816.db2.gz AUYRRGRQTRYPSN-LJQANCHMSA-N -1 1 390.451 1.043 20 0 GDADMM O=C([O-])[C@H]1CCCN(c2ccc(CN3CCC([C@H]4COC(=O)N4)CC3)o2)C1 ZINC001595294105 950101099 /nfs/dbraw/zinc/10/10/99/950101099.db2.gz XKPWEZAXDYMKSG-GOEBONIOSA-N -1 1 377.441 1.901 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cc[nH]c2)[C@@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001576183715 950101338 /nfs/dbraw/zinc/10/13/38/950101338.db2.gz SYOZKAGOQXNQCK-GXTWGEPZSA-N -1 1 381.444 1.728 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cc[nH]c2)[C@@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001576183715 950101345 /nfs/dbraw/zinc/10/13/45/950101345.db2.gz SYOZKAGOQXNQCK-GXTWGEPZSA-N -1 1 381.444 1.728 20 0 GDADMM C[C@@H]1CCN(C(=O)C2C=CC=CC=C2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576183936 950111387 /nfs/dbraw/zinc/11/13/87/950111387.db2.gz SHWAVNLRJVGCQE-GDBMZVCRSA-N -1 1 392.467 1.274 20 0 GDADMM C[C@@H]1CCN(C(=O)C2CC(F)(F)C2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576184105 950118864 /nfs/dbraw/zinc/11/88/64/950118864.db2.gz TYGJRLNTUAVRIZ-ZYHUDNBSSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H]1CCN(C(=O)C2CC(F)(F)C2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576184105 950118876 /nfs/dbraw/zinc/11/88/76/950118876.db2.gz TYGJRLNTUAVRIZ-ZYHUDNBSSA-N -1 1 392.414 1.599 20 0 GDADMM CCCc1nc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])co1 ZINC001589691630 950122053 /nfs/dbraw/zinc/12/20/53/950122053.db2.gz RQKQCIYROIVIHW-LDYMZIIASA-N -1 1 377.319 1.363 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccn(C)c2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576184345 950122268 /nfs/dbraw/zinc/12/22/68/950122268.db2.gz WCYZDICVZQEMAK-OCCSQVGLSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccn(C)c2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576184345 950122282 /nfs/dbraw/zinc/12/22/82/950122282.db2.gz WCYZDICVZQEMAK-OCCSQVGLSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cn[nH]c2)[C@@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576184616 950133946 /nfs/dbraw/zinc/13/39/46/950133946.db2.gz WVUKGQVZXIUJKT-BXUZGUMPSA-N -1 1 382.432 1.123 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cn[nH]c2)[C@@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576184616 950133966 /nfs/dbraw/zinc/13/39/66/950133966.db2.gz WVUKGQVZXIUJKT-BXUZGUMPSA-N -1 1 382.432 1.123 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574734744 950141625 /nfs/dbraw/zinc/14/16/25/950141625.db2.gz POMFESYMJUCKMO-RBXMUDONSA-N -1 1 383.865 1.128 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574734744 950141639 /nfs/dbraw/zinc/14/16/39/950141639.db2.gz POMFESYMJUCKMO-RBXMUDONSA-N -1 1 383.865 1.128 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001574494164 950151308 /nfs/dbraw/zinc/15/13/08/950151308.db2.gz XOUUDEVOWAGHSW-KGLIPLIRSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574494164 950151324 /nfs/dbraw/zinc/15/13/24/950151324.db2.gz XOUUDEVOWAGHSW-KGLIPLIRSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1)C(F)(F)F ZINC001574494677 950177441 /nfs/dbraw/zinc/17/74/41/950177441.db2.gz MOOUOTCBDOZDBT-KWQFWETISA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1)C(F)(F)F ZINC001574494677 950177454 /nfs/dbraw/zinc/17/74/54/950177454.db2.gz MOOUOTCBDOZDBT-KWQFWETISA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](CC(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1)C(F)(F)F ZINC001574494676 950179493 /nfs/dbraw/zinc/17/94/93/950179493.db2.gz MOOUOTCBDOZDBT-KCJUWKMLSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](CC(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1)C(F)(F)F ZINC001574494676 950179506 /nfs/dbraw/zinc/17/95/06/950179506.db2.gz MOOUOTCBDOZDBT-KCJUWKMLSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccncc2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576191026 950179879 /nfs/dbraw/zinc/17/98/79/950179879.db2.gz CNLVSZWNSVHICC-OCCSQVGLSA-N -1 1 379.428 1.262 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccncc2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576191026 950179893 /nfs/dbraw/zinc/17/98/93/950179893.db2.gz CNLVSZWNSVHICC-OCCSQVGLSA-N -1 1 379.428 1.262 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573844577 950197518 /nfs/dbraw/zinc/19/75/18/950197518.db2.gz BVGQDUVVOKLCOC-MELADBBJSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573844577 950197529 /nfs/dbraw/zinc/19/75/29/950197529.db2.gz BVGQDUVVOKLCOC-MELADBBJSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)CC1(C)C)C1CC1 ZINC001574497033 950222989 /nfs/dbraw/zinc/22/29/89/950222989.db2.gz YIVSLIRZSVBQSC-JSGCOSHPSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)CC1(C)C)C1CC1 ZINC001574497033 950223006 /nfs/dbraw/zinc/22/30/06/950223006.db2.gz YIVSLIRZSVBQSC-JSGCOSHPSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccsc2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576192114 950228029 /nfs/dbraw/zinc/22/80/29/950228029.db2.gz JXLPEDDQBHCIMC-AAEUAGOBSA-N -1 1 384.469 1.929 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccsc2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576192114 950228051 /nfs/dbraw/zinc/22/80/51/950228051.db2.gz JXLPEDDQBHCIMC-AAEUAGOBSA-N -1 1 384.469 1.929 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1)c1ccncc1 ZINC001574497734 950235471 /nfs/dbraw/zinc/23/54/71/950235471.db2.gz BWEPDJZPCSNOTR-LBPRGKRZSA-N -1 1 379.428 1.306 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1)c1ccncc1 ZINC001574497734 950235490 /nfs/dbraw/zinc/23/54/90/950235490.db2.gz BWEPDJZPCSNOTR-LBPRGKRZSA-N -1 1 379.428 1.306 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCC1)c1ccco1 ZINC001574497713 950238239 /nfs/dbraw/zinc/23/82/39/950238239.db2.gz BNCMQGNVHLCXLZ-GFCCVEGCSA-N -1 1 382.428 1.894 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCC1)c1ccco1 ZINC001574497713 950238274 /nfs/dbraw/zinc/23/82/74/950238274.db2.gz BNCMQGNVHLCXLZ-GFCCVEGCSA-N -1 1 382.428 1.894 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)COC1CCCC1 ZINC001574157554 950242748 /nfs/dbraw/zinc/24/27/48/950242748.db2.gz CUVYRNBQETYQBP-ZDUSSCGKSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)COC1CCCC1 ZINC001574157554 950242765 /nfs/dbraw/zinc/24/27/65/950242765.db2.gz CUVYRNBQETYQBP-ZDUSSCGKSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)Nc2n[nH]cc2-c2nnn[n-]2)C1 ZINC001576192506 950249328 /nfs/dbraw/zinc/24/93/28/950249328.db2.gz OVGPNFQSODRLGZ-MWLCHTKSSA-N -1 1 376.421 1.564 20 0 GDADMM C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)Nc2n[nH]cc2-c2nn[n-]n2)C1 ZINC001576192506 950249347 /nfs/dbraw/zinc/24/93/47/950249347.db2.gz OVGPNFQSODRLGZ-MWLCHTKSSA-N -1 1 376.421 1.564 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573846487 950249335 /nfs/dbraw/zinc/24/93/35/950249335.db2.gz RYFPPOFSGLQNMY-HZSPNIEDSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573846487 950249356 /nfs/dbraw/zinc/24/93/56/950249356.db2.gz RYFPPOFSGLQNMY-HZSPNIEDSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NCCN(c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001573846484 950251564 /nfs/dbraw/zinc/25/15/64/950251564.db2.gz RXNYNVGBOREHKU-GXTWGEPZSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NCCN(c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001573846484 950251579 /nfs/dbraw/zinc/25/15/79/950251579.db2.gz RXNYNVGBOREHKU-GXTWGEPZSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)OC(=O)CC[C@H]1C[C@@H](C(=O)Nc2n[nH]cc2-c2nnn[n-]2)CO1 ZINC001573850533 950272988 /nfs/dbraw/zinc/27/29/88/950272988.db2.gz KMGXQFQNOSPIAH-ZJUUUORDSA-N -1 1 377.405 1.055 20 0 GDADMM CC(C)(C)OC(=O)CC[C@H]1C[C@@H](C(=O)Nc2n[nH]cc2-c2nn[n-]n2)CO1 ZINC001573850533 950273009 /nfs/dbraw/zinc/27/30/09/950273009.db2.gz KMGXQFQNOSPIAH-ZJUUUORDSA-N -1 1 377.405 1.055 20 0 GDADMM CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573850371 950273957 /nfs/dbraw/zinc/27/39/57/950273957.db2.gz IWHYNQILEJYPQD-SNVBAGLBSA-N -1 1 378.458 1.801 20 0 GDADMM CC1(C(=O)NCCN(c2ccnc(-c3nn[n-]n3)n2)C2CC2)CC(F)(F)C1 ZINC001575592229 950280294 /nfs/dbraw/zinc/28/02/94/950280294.db2.gz DSIFREZSKFKZGW-UHFFFAOYSA-N -1 1 378.387 1.177 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cscn2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576193134 950287297 /nfs/dbraw/zinc/28/72/97/950287297.db2.gz SCDQCBBYZKBSHI-GHMZBOCLSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cscn2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576193134 950287317 /nfs/dbraw/zinc/28/73/17/950287317.db2.gz SCDQCBBYZKBSHI-GHMZBOCLSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCC1)[C@H]1CCCO1 ZINC001574498908 950291231 /nfs/dbraw/zinc/29/12/31/950291231.db2.gz RCJLRAPZZWCEDL-TZMCWYRMSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCC1)[C@H]1CCCO1 ZINC001574498908 950291248 /nfs/dbraw/zinc/29/12/48/950291248.db2.gz RCJLRAPZZWCEDL-TZMCWYRMSA-N -1 1 386.460 1.313 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C1(C)CCOCC1 ZINC001574158865 950292154 /nfs/dbraw/zinc/29/21/54/950292154.db2.gz DMHYUMDEAQUPPL-CYBMUJFWSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C1(C)CCOCC1 ZINC001574158865 950292170 /nfs/dbraw/zinc/29/21/70/950292170.db2.gz DMHYUMDEAQUPPL-CYBMUJFWSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1)C1CCCCC1 ZINC001574499176 950295264 /nfs/dbraw/zinc/29/52/64/950295264.db2.gz SLPITYSJHDNBKJ-JSGCOSHPSA-N -1 1 388.476 1.152 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1)C1CCCCC1 ZINC001574499176 950295282 /nfs/dbraw/zinc/29/52/82/950295282.db2.gz SLPITYSJHDNBKJ-JSGCOSHPSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)(C)OC(=O)N(CCO)[C@H]1CCCN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001573852396 950305800 /nfs/dbraw/zinc/30/58/00/950305800.db2.gz GWUZEIZRQAUSPV-AWEZNQCLSA-N -1 1 389.460 1.460 20 0 GDADMM CC(C)(C)OC(=O)N(CCO)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001573852396 950305823 /nfs/dbraw/zinc/30/58/23/950305823.db2.gz GWUZEIZRQAUSPV-AWEZNQCLSA-N -1 1 389.460 1.460 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2coc(-c3nnn[n-]3)c2)[C@H](F)C1 ZINC001573852776 950311776 /nfs/dbraw/zinc/31/17/76/950311776.db2.gz JEOOOLQMJBBTTF-GHMZBOCLSA-N -1 1 380.380 1.537 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2coc(-c3nn[n-]n3)c2)[C@H](F)C1 ZINC001573852776 950311796 /nfs/dbraw/zinc/31/17/96/950311796.db2.gz JEOOOLQMJBBTTF-GHMZBOCLSA-N -1 1 380.380 1.537 20 0 GDADMM C[C@]1(C(=O)NCCCNc2snc(Cl)c2-c2nnn[n-]2)CCCOC1 ZINC001575593850 950316539 /nfs/dbraw/zinc/31/65/39/950316539.db2.gz OWJFAQIVRUTBIL-AWEZNQCLSA-N -1 1 385.881 1.712 20 0 GDADMM C[C@H]1CCN(C(=O)c2cscn2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576193906 950316828 /nfs/dbraw/zinc/31/68/28/950316828.db2.gz VXCHGZIOJPQMGD-WDEREUQCSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H]1CCN(C(=O)c2cscn2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576193906 950316845 /nfs/dbraw/zinc/31/68/45/950316845.db2.gz VXCHGZIOJPQMGD-WDEREUQCSA-N -1 1 385.457 1.324 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@@H](Cn2c3c(cc(-c4nn[n-]n4)c2=O)CCC3)C1 ZINC001573853161 950317543 /nfs/dbraw/zinc/31/75/43/950317543.db2.gz MJGLXKQGRYPYAC-GFCCVEGCSA-N -1 1 386.456 1.774 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H](C)n1cccc1 ZINC001574159836 950321432 /nfs/dbraw/zinc/32/14/32/950321432.db2.gz KGKFDGCFCAZWPY-ZIAGYGMSSA-N -1 1 383.460 1.662 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)n1cccc1 ZINC001574159836 950321457 /nfs/dbraw/zinc/32/14/57/950321457.db2.gz KGKFDGCFCAZWPY-ZIAGYGMSSA-N -1 1 383.460 1.662 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001574501954 950351127 /nfs/dbraw/zinc/35/11/27/950351127.db2.gz HYSIWOIJNMICDR-KBPBESRZSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001574501954 950351144 /nfs/dbraw/zinc/35/11/44/950351144.db2.gz HYSIWOIJNMICDR-KBPBESRZSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc(C(C)(C)C)on1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574745314 950381323 /nfs/dbraw/zinc/38/13/23/950381323.db2.gz IFARAXXKQMGEPL-SNVBAGLBSA-N -1 1 385.432 1.515 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc(C(C)(C)C)on1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574745314 950381344 /nfs/dbraw/zinc/38/13/44/950381344.db2.gz IFARAXXKQMGEPL-SNVBAGLBSA-N -1 1 385.432 1.515 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C1(F)CCOCC1 ZINC001574162587 950388973 /nfs/dbraw/zinc/38/89/73/950388973.db2.gz DRFAOAZRBRGGBG-LBPRGKRZSA-N -1 1 392.439 1.118 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C1(F)CCOCC1 ZINC001574162587 950388989 /nfs/dbraw/zinc/38/89/89/950388989.db2.gz DRFAOAZRBRGGBG-LBPRGKRZSA-N -1 1 392.439 1.118 20 0 GDADMM CC1(C(=O)NC[C@H]2c3ccccc3CCN2c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575596993 950393587 /nfs/dbraw/zinc/39/35/87/950393587.db2.gz WVROFKWSFFGASB-INIZCTEOSA-N -1 1 390.451 1.677 20 0 GDADMM CC1(C(=O)NC[C@H]2c3ccccc3CCN2c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575596993 950393607 /nfs/dbraw/zinc/39/36/07/950393607.db2.gz WVROFKWSFFGASB-INIZCTEOSA-N -1 1 390.451 1.677 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574503114 950403551 /nfs/dbraw/zinc/40/35/51/950403551.db2.gz UASPVRUIVONZPO-HUUCEWRRSA-N -1 1 392.467 1.793 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)n1cccc1 ZINC001574504018 950421783 /nfs/dbraw/zinc/42/17/83/950421783.db2.gz ZIAWXZAKIVJLDW-KGLIPLIRSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)n1cccc1 ZINC001574504018 950421792 /nfs/dbraw/zinc/42/17/92/950421792.db2.gz ZIAWXZAKIVJLDW-KGLIPLIRSA-N -1 1 381.444 1.195 20 0 GDADMM CC(C)(C)OC(=O)N[C@H](CC(=O)Nc1n[nH]cc1-c1nnn[n-]1)C(C)(C)C ZINC001573860366 950423577 /nfs/dbraw/zinc/42/35/77/950423577.db2.gz HQOOQDZICCDHMD-SNVBAGLBSA-N -1 1 378.437 1.858 20 0 GDADMM CC(C)(C)OC(=O)N[C@H](CC(=O)Nc1n[nH]cc1-c1nn[n-]n1)C(C)(C)C ZINC001573860366 950423587 /nfs/dbraw/zinc/42/35/87/950423587.db2.gz HQOOQDZICCDHMD-SNVBAGLBSA-N -1 1 378.437 1.858 20 0 GDADMM CC(C)CC1(C(=O)N(C)[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CCC1 ZINC001574163549 950427026 /nfs/dbraw/zinc/42/70/26/950427026.db2.gz VVGJNHFNDBRXHG-CQSZACIVSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CC1(C(=O)N(C)[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CCC1 ZINC001574163549 950427040 /nfs/dbraw/zinc/42/70/40/950427040.db2.gz VVGJNHFNDBRXHG-CQSZACIVSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)(C)OC(=O)N[C@](C)(C(=O)n1ncc(-c2nn[n-]n2)c1N)c1ccccc1 ZINC001573861058 950437179 /nfs/dbraw/zinc/43/71/79/950437179.db2.gz QSVOGVBIYPELEP-SFHVURJKSA-N -1 1 398.427 1.726 20 0 GDADMM CC(C)(C)OC(=O)Nc1ccc(CNCc2nc(-c3nnn[n-]3)cs2)nn1 ZINC001573861806 950454543 /nfs/dbraw/zinc/45/45/43/950454543.db2.gz HIFXUEKDWJALHY-UHFFFAOYSA-N -1 1 389.445 1.750 20 0 GDADMM CC(C)(C)OC(=O)Nc1ccc(CNCc2nc(-c3nn[n-]n3)cs2)nn1 ZINC001573861806 950454552 /nfs/dbraw/zinc/45/45/52/950454552.db2.gz HIFXUEKDWJALHY-UHFFFAOYSA-N -1 1 389.445 1.750 20 0 GDADMM C[C@@]1(C(=O)N[C@H]2CC[C@H](CNc3cncc(-c4nnn[n-]4)n3)CC2)CCOC1 ZINC001575605543 950466528 /nfs/dbraw/zinc/46/65/28/950466528.db2.gz LIIQIZLFHPHCIK-SNUQEOBHSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@]1(C(=O)N[C@H]2CC[C@H](CNc3cncc(-c4nn[n-]n4)n3)CC2)CCOC1 ZINC001575605543 950466540 /nfs/dbraw/zinc/46/65/40/950466540.db2.gz LIIQIZLFHPHCIK-SNUQEOBHSA-N -1 1 386.460 1.170 20 0 GDADMM CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC(=O)Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001573862651 950471255 /nfs/dbraw/zinc/47/12/55/950471255.db2.gz ZSCCIKBPWOSFQP-UMSPYCQHSA-N -1 1 388.432 1.687 20 0 GDADMM CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC(=O)Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001573862651 950471264 /nfs/dbraw/zinc/47/12/64/950471264.db2.gz ZSCCIKBPWOSFQP-UMSPYCQHSA-N -1 1 388.432 1.687 20 0 GDADMM CC(C)(C)OC(=O)[C@@H]1CN(C(=O)Cc2ccc(-c3nnn[n-]3)nc2)C[C@H]1C1CC1 ZINC001573863462 950479955 /nfs/dbraw/zinc/47/99/55/950479955.db2.gz IYGKLSJBYILESR-LSDHHAIUSA-N -1 1 398.467 1.631 20 0 GDADMM CC(C)(C)OC(=O)[C@@H]1CN(C(=O)Cc2ccc(-c3nn[n-]n3)nc2)C[C@H]1C1CC1 ZINC001573863462 950479971 /nfs/dbraw/zinc/47/99/71/950479971.db2.gz IYGKLSJBYILESR-LSDHHAIUSA-N -1 1 398.467 1.631 20 0 GDADMM C[C@@H](CC(=O)NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1)C(F)(F)F ZINC001574508654 950484013 /nfs/dbraw/zinc/48/40/13/950484013.db2.gz LDVRXKHXSVPPLE-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc2c(c1)CCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574752614 950489956 /nfs/dbraw/zinc/48/99/56/950489956.db2.gz DKFQDPJPUWJPPN-LBPRGKRZSA-N -1 1 378.440 1.718 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc2c(c1)CCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574752614 950489966 /nfs/dbraw/zinc/48/99/66/950489966.db2.gz DKFQDPJPUWJPPN-LBPRGKRZSA-N -1 1 378.440 1.718 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc(C(F)F)nc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574752759 950498504 /nfs/dbraw/zinc/49/85/04/950498504.db2.gz FQKHMKKOZMRDLZ-SECBINFHSA-N -1 1 389.370 1.562 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc(C(F)F)nc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574752759 950498517 /nfs/dbraw/zinc/49/85/17/950498517.db2.gz FQKHMKKOZMRDLZ-SECBINFHSA-N -1 1 389.370 1.562 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cc(Cl)no1 ZINC001575914643 950500182 /nfs/dbraw/zinc/50/01/82/950500182.db2.gz LQVJQJYTVRKUQF-HTQZYQBOSA-N -1 1 375.780 1.013 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cc(Cl)no1 ZINC001575914643 950500196 /nfs/dbraw/zinc/50/01/96/950500196.db2.gz LQVJQJYTVRKUQF-HTQZYQBOSA-N -1 1 375.780 1.013 20 0 GDADMM CC(C)(C)OCC(=O)N1CCCC[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001573866438 950501241 /nfs/dbraw/zinc/50/12/41/950501241.db2.gz BYIKUYDNBAQHOO-ZDUSSCGKSA-N -1 1 388.476 1.655 20 0 GDADMM CC(C)(C)OCC(=O)N1CCCC[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001573866438 950501263 /nfs/dbraw/zinc/50/12/63/950501263.db2.gz BYIKUYDNBAQHOO-ZDUSSCGKSA-N -1 1 388.476 1.655 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cccc(Cl)c1F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574753594 950531558 /nfs/dbraw/zinc/53/15/58/950531558.db2.gz QCHFGULHRKWJLB-VIFPVBQESA-N -1 1 390.810 1.444 20 0 GDADMM C[C@H](CC(=O)N[C@H](C)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C1CC1 ZINC001574511055 950552696 /nfs/dbraw/zinc/55/26/96/950552696.db2.gz FHLCCWUUSQKESN-CHWSQXEVSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](CC(=O)N[C@H](C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001574511055 950552713 /nfs/dbraw/zinc/55/27/13/950552713.db2.gz FHLCCWUUSQKESN-CHWSQXEVSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)c1ccc(C(=O)N(C)C[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)nc1 ZINC001574754041 950558618 /nfs/dbraw/zinc/55/86/18/950558618.db2.gz WJVGIVYCZFXVQB-LBPRGKRZSA-N -1 1 381.444 1.748 20 0 GDADMM CC(C)c1ccc(C(=O)N(C)C[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)nc1 ZINC001574754041 950558640 /nfs/dbraw/zinc/55/86/40/950558640.db2.gz WJVGIVYCZFXVQB-LBPRGKRZSA-N -1 1 381.444 1.748 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)cn1C)CNc1nccnc1-c1nnn[n-]1 ZINC001574999037 950569214 /nfs/dbraw/zinc/56/92/14/950569214.db2.gz DMMCMKQPQSEOAB-VIFPVBQESA-N -1 1 375.824 1.127 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)cn1C)CNc1nccnc1-c1nn[n-]n1 ZINC001574999037 950569231 /nfs/dbraw/zinc/56/92/31/950569231.db2.gz DMMCMKQPQSEOAB-VIFPVBQESA-N -1 1 375.824 1.127 20 0 GDADMM CC1(C)C(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nnn[n-]2)C1(C)C ZINC001575615970 950578846 /nfs/dbraw/zinc/57/88/46/950578846.db2.gz JZCUADIYMRJDHN-WOPDTQHZSA-N -1 1 382.472 1.565 20 0 GDADMM CC1(C)C(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nn[n-]n2)C1(C)C ZINC001575615970 950578860 /nfs/dbraw/zinc/57/88/60/950578860.db2.gz JZCUADIYMRJDHN-WOPDTQHZSA-N -1 1 382.472 1.565 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)cc(Cl)c1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575000414 950604188 /nfs/dbraw/zinc/60/41/88/950604188.db2.gz CPJPEDRSLYZWMS-VIFPVBQESA-N -1 1 390.810 1.349 20 0 GDADMM C[C@H](CNC(=O)c1cc2c(s1)CCC2)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575000446 950604506 /nfs/dbraw/zinc/60/45/06/950604506.db2.gz DNYBYEMIZTVRCA-SNVBAGLBSA-N -1 1 384.469 1.462 20 0 GDADMM C[C@H](CNC(=O)c1cc2c(s1)CCC2)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575000446 950604530 /nfs/dbraw/zinc/60/45/30/950604530.db2.gz DNYBYEMIZTVRCA-SNVBAGLBSA-N -1 1 384.469 1.462 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccoc1C1CC1 ZINC001575919620 950618184 /nfs/dbraw/zinc/61/81/84/950618184.db2.gz IMOOZHNBJUMQHB-GWCFXTLKSA-N -1 1 380.412 1.842 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccoc1C1CC1 ZINC001575919620 950618208 /nfs/dbraw/zinc/61/82/08/950618208.db2.gz IMOOZHNBJUMQHB-GWCFXTLKSA-N -1 1 380.412 1.842 20 0 GDADMM CC1(C)C(C(=O)N[C@H]2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)C1(C)C ZINC001575619795 950621364 /nfs/dbraw/zinc/62/13/64/950621364.db2.gz PTAVTXGXXICCBJ-NEPJUHHUSA-N -1 1 384.488 1.458 20 0 GDADMM C[C@H](CN(C)C(=O)c1cccnc1C(F)F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574758945 950622086 /nfs/dbraw/zinc/62/20/86/950622086.db2.gz IFUHZWBJKMTWPQ-SECBINFHSA-N -1 1 389.370 1.562 20 0 GDADMM C[C@H](CN(C)C(=O)c1cccnc1C(F)F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574758945 950622099 /nfs/dbraw/zinc/62/20/99/950622099.db2.gz IFUHZWBJKMTWPQ-SECBINFHSA-N -1 1 389.370 1.562 20 0 GDADMM CCN1CCN(c2ccc(CNC(=O)NCc3ccc(C(=O)[O-])cc3)cn2)CC1 ZINC001589744211 950643503 /nfs/dbraw/zinc/64/35/03/950643503.db2.gz HIXMEXUISUNRDO-UHFFFAOYSA-N -1 1 397.479 1.921 20 0 GDADMM CCN1CCN(c2ccc(CNC(=O)N3C[C@@H](C)C[C@H](C(=O)[O-])C3)cn2)CC1 ZINC001589744232 950646931 /nfs/dbraw/zinc/64/69/31/950646931.db2.gz IWXCLQNMPNIZBM-RDJZCZTQSA-N -1 1 389.500 1.476 20 0 GDADMM C[C@@H](CNC(=O)c1cc2c([nH]1)CCCC2)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575002290 950654330 /nfs/dbraw/zinc/65/43/30/950654330.db2.gz RCSBJGIRGRYAKO-LLVKDONJSA-N -1 1 381.444 1.342 20 0 GDADMM C[C@@H](CNC(=O)c1cc2c([nH]1)CCCC2)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575002290 950654341 /nfs/dbraw/zinc/65/43/41/950654341.db2.gz RCSBJGIRGRYAKO-LLVKDONJSA-N -1 1 381.444 1.342 20 0 GDADMM CC(C)CCC(=O)N[C@@H]1CC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001574175516 950663579 /nfs/dbraw/zinc/66/35/79/950663579.db2.gz QHOLLZGYOITRQI-RRFJBIMHSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)CCC(=O)N[C@@H]1CC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001574175516 950663585 /nfs/dbraw/zinc/66/35/85/950663585.db2.gz QHOLLZGYOITRQI-RRFJBIMHSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](CC(=O)Nc1cccc(-c2nnn[n-]2)n1)S(=O)(=O)c1ccc(F)cc1 ZINC001574519229 950672240 /nfs/dbraw/zinc/67/22/40/950672240.db2.gz CLYNRCVPSPIEHV-SNVBAGLBSA-N -1 1 390.400 1.592 20 0 GDADMM C[C@H](CC(=O)Nc1cccc(-c2nn[n-]n2)n1)S(=O)(=O)c1ccc(F)cc1 ZINC001574519229 950672251 /nfs/dbraw/zinc/67/22/51/950672251.db2.gz CLYNRCVPSPIEHV-SNVBAGLBSA-N -1 1 390.400 1.592 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001573876322 950673214 /nfs/dbraw/zinc/67/32/14/950673214.db2.gz LAHCCBJKINUJME-XJFOESAGSA-N -1 1 382.472 1.519 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001573876322 950673222 /nfs/dbraw/zinc/67/32/22/950673222.db2.gz LAHCCBJKINUJME-XJFOESAGSA-N -1 1 382.472 1.519 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C(C)(F)F)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576214757 950683370 /nfs/dbraw/zinc/68/33/70/950683370.db2.gz CALXQJFKYZZMLH-VHSXEESVSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C(C)(F)F)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576214757 950683384 /nfs/dbraw/zinc/68/33/84/950683384.db2.gz CALXQJFKYZZMLH-VHSXEESVSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccccc1 ZINC001574519648 950688657 /nfs/dbraw/zinc/68/86/57/950688657.db2.gz XIKKZDOUANBOLJ-QEJZJMRPSA-N -1 1 378.440 1.910 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccccc1 ZINC001574519648 950688668 /nfs/dbraw/zinc/68/86/68/950688668.db2.gz XIKKZDOUANBOLJ-QEJZJMRPSA-N -1 1 378.440 1.910 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001574519609 950691096 /nfs/dbraw/zinc/69/10/96/950691096.db2.gz WSMZBFMNVNHGLW-IHRRRGAJSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001574519609 950691113 /nfs/dbraw/zinc/69/11/13/950691113.db2.gz WSMZBFMNVNHGLW-IHRRRGAJSA-N -1 1 381.444 1.416 20 0 GDADMM CC1(C)[C@H](NC(=O)C2CCC2)[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)[C@@H]21 ZINC001575625581 950692839 /nfs/dbraw/zinc/69/28/39/950692839.db2.gz SEUMGYIOYKMSPW-WQVCFCJDSA-N -1 1 382.472 1.566 20 0 GDADMM CC1(C)[C@H](NC(=O)C2CCC2)[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)[C@@H]21 ZINC001575625581 950692852 /nfs/dbraw/zinc/69/28/52/950692852.db2.gz SEUMGYIOYKMSPW-WQVCFCJDSA-N -1 1 382.472 1.566 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@]12CCC[C@@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001573877827 950696370 /nfs/dbraw/zinc/69/63/70/950696370.db2.gz HQPYOWWNIGKWBO-LNFCAHBASA-N -1 1 396.499 1.957 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@]12CCC[C@@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001573877827 950696380 /nfs/dbraw/zinc/69/63/80/950696380.db2.gz HQPYOWWNIGKWBO-LNFCAHBASA-N -1 1 396.499 1.957 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001573877846 950697597 /nfs/dbraw/zinc/69/75/97/950697597.db2.gz HXSGOBPJXSKDLA-XJFOESAGSA-N -1 1 382.472 1.234 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001573877846 950697608 /nfs/dbraw/zinc/69/76/08/950697608.db2.gz HXSGOBPJXSKDLA-XJFOESAGSA-N -1 1 382.472 1.234 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576215839 950716023 /nfs/dbraw/zinc/71/60/23/950716023.db2.gz BUGHFRDAGAJKER-WDEREUQCSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576215839 950716033 /nfs/dbraw/zinc/71/60/33/950716033.db2.gz BUGHFRDAGAJKER-WDEREUQCSA-N -1 1 392.414 1.599 20 0 GDADMM CC1(C)CC(C(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C23CCC3)C1 ZINC001575629046 950732369 /nfs/dbraw/zinc/73/23/69/950732369.db2.gz JIXUTIWAGNJJPY-OLZOCXBDSA-N -1 1 382.472 1.932 20 0 GDADMM CC1(C)CC(C(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C23CCC3)C1 ZINC001575629046 950732389 /nfs/dbraw/zinc/73/23/89/950732389.db2.gz JIXUTIWAGNJJPY-OLZOCXBDSA-N -1 1 382.472 1.932 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCCn1cccc1 ZINC001575927639 950746198 /nfs/dbraw/zinc/74/61/98/950746198.db2.gz REQGNWKJCPHDDX-UONOGXRCSA-N -1 1 381.444 1.340 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCCn1cccc1 ZINC001575927639 950746213 /nfs/dbraw/zinc/74/62/13/950746213.db2.gz REQGNWKJCPHDDX-UONOGXRCSA-N -1 1 381.444 1.340 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCCn1cccc1 ZINC001575927640 950747899 /nfs/dbraw/zinc/74/78/99/950747899.db2.gz REQGNWKJCPHDDX-ZIAGYGMSSA-N -1 1 381.444 1.340 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCCn1cccc1 ZINC001575927640 950747919 /nfs/dbraw/zinc/74/79/19/950747919.db2.gz REQGNWKJCPHDDX-ZIAGYGMSSA-N -1 1 381.444 1.340 20 0 GDADMM CC(C)c1ncncc1C(=O)N(C)C[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574764439 950753588 /nfs/dbraw/zinc/75/35/88/950753588.db2.gz STHGZGCSHWGXBC-NSHDSACASA-N -1 1 382.432 1.143 20 0 GDADMM CC(C)c1ncncc1C(=O)N(C)C[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574764439 950753596 /nfs/dbraw/zinc/75/35/96/950753596.db2.gz STHGZGCSHWGXBC-NSHDSACASA-N -1 1 382.432 1.143 20 0 GDADMM CC1(C)CC(C(=O)N[C@@]23CCC[C@@H]2N(c2ccnc(-c4nn[n-]n4)n2)CC3)C1 ZINC001575629988 950753553 /nfs/dbraw/zinc/75/35/53/950753553.db2.gz XUPRCYWWTFQMGB-ORAYPTAESA-N -1 1 382.472 1.711 20 0 GDADMM CC(C)(C)c1ccc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573882005 950763254 /nfs/dbraw/zinc/76/32/54/950763254.db2.gz NJFBRWDWLLOQCN-OAHLLOKOSA-N -1 1 392.467 1.963 20 0 GDADMM C[C@H]1CN(C(=O)C(C2CC2)C2CC2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576217725 950767755 /nfs/dbraw/zinc/76/77/55/950767755.db2.gz IULVVCULNDFYNR-SMDDNHRTSA-N -1 1 382.472 1.599 20 0 GDADMM C[C@H]1CN(C(=O)C(C2CC2)C2CC2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576217725 950767772 /nfs/dbraw/zinc/76/77/72/950767772.db2.gz IULVVCULNDFYNR-SMDDNHRTSA-N -1 1 382.472 1.599 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ncccc1[O-])Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574765013 950768334 /nfs/dbraw/zinc/76/83/34/950768334.db2.gz BSEKTYDCXXKLCY-VIFPVBQESA-N -1 1 388.819 1.588 20 0 GDADMM C[C@@H](CN(C)C(=O)c1csc(Cl)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574765117 950772409 /nfs/dbraw/zinc/77/24/09/950772409.db2.gz FEPKIBYYAIMDKH-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CN(C)C(=O)c1csc(Cl)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574765117 950772417 /nfs/dbraw/zinc/77/24/17/950772417.db2.gz FEPKIBYYAIMDKH-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM CC1(C)CC(C(=O)N[C@]23CCC[C@H]2CN(c2cncc(-c4nnn[n-]4)n2)C3)C1 ZINC001575631530 950773379 /nfs/dbraw/zinc/77/33/79/950773379.db2.gz OORHNEGXAQESHA-DJJJIMSYSA-N -1 1 382.472 1.568 20 0 GDADMM CC1(C)CC(C(=O)N[C@]23CCC[C@H]2CN(c2cncc(-c4nn[n-]n4)n2)C3)C1 ZINC001575631530 950773392 /nfs/dbraw/zinc/77/33/92/950773392.db2.gz OORHNEGXAQESHA-DJJJIMSYSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccc2c(c1)COC2 ZINC001575931614 950812632 /nfs/dbraw/zinc/81/26/32/950812632.db2.gz JAEZUJPXWYQNHO-XHDPSFHLSA-N -1 1 392.423 1.402 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc2c(c1)COC2 ZINC001575931614 950812648 /nfs/dbraw/zinc/81/26/48/950812648.db2.gz JAEZUJPXWYQNHO-XHDPSFHLSA-N -1 1 392.423 1.402 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576219995 950818610 /nfs/dbraw/zinc/81/86/10/950818610.db2.gz PMJIGOXJKQOILS-WDEREUQCSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576219995 950818639 /nfs/dbraw/zinc/81/86/39/950818639.db2.gz PMJIGOXJKQOILS-WDEREUQCSA-N -1 1 392.414 1.599 20 0 GDADMM CC(C)n1nccc1C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001575932241 950821116 /nfs/dbraw/zinc/82/11/16/950821116.db2.gz LAUFZKOFJMSBJS-NWDGAFQWSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1nccc1C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001575932241 950821142 /nfs/dbraw/zinc/82/11/42/950821142.db2.gz LAUFZKOFJMSBJS-NWDGAFQWSA-N -1 1 382.432 1.149 20 0 GDADMM C[C@@H]1[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)CCN1C(=O)c1ccnnc1 ZINC001575931995 950825073 /nfs/dbraw/zinc/82/50/73/950825073.db2.gz KJELYECTEJZLFQ-VXNVDRBHSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCN1C(=O)c1ccnnc1 ZINC001575931995 950825092 /nfs/dbraw/zinc/82/50/92/950825092.db2.gz KJELYECTEJZLFQ-VXNVDRBHSA-N -1 1 391.848 1.482 20 0 GDADMM CC1(C)C[C@H](NC(=O)[C@@H]2CC2(F)F)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575638395 950824990 /nfs/dbraw/zinc/82/49/90/950824990.db2.gz BHKZSOJWZOUWAK-MNOVXSKESA-N -1 1 392.414 1.423 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)[C@H]2CC(=O)Nc3ccccc32)n1 ZINC001573887473 950845286 /nfs/dbraw/zinc/84/52/86/950845286.db2.gz CQLMYUNGMPWTFX-NSHDSACASA-N -1 1 380.412 1.883 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)[C@H]2CC(=O)Nc3ccccc32)n1 ZINC001573887473 950845307 /nfs/dbraw/zinc/84/53/07/950845307.db2.gz CQLMYUNGMPWTFX-NSHDSACASA-N -1 1 380.412 1.883 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C2CC2)CC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576221219 950845945 /nfs/dbraw/zinc/84/59/45/950845945.db2.gz VBSMFRYQBFUCCX-CHWSQXEVSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C2CC2)CC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576221219 950845975 /nfs/dbraw/zinc/84/59/75/950845975.db2.gz VBSMFRYQBFUCCX-CHWSQXEVSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1coc(C2CC2)n1 ZINC001575934126 950850805 /nfs/dbraw/zinc/85/08/05/950850805.db2.gz QIIBEOOZRSSAIU-ONGXEEELSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1coc(C2CC2)n1 ZINC001575934126 950850830 /nfs/dbraw/zinc/85/08/30/950850830.db2.gz QIIBEOOZRSSAIU-ONGXEEELSA-N -1 1 381.400 1.237 20 0 GDADMM CC1(C)C[C@H](NC(=O)CCCF)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575639388 950865863 /nfs/dbraw/zinc/86/58/63/950865863.db2.gz AKXAISAAIFQDLA-GFCCVEGCSA-N -1 1 376.440 1.518 20 0 GDADMM CC1(C)C[C@H](NC(=O)CCCF)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575639388 950865881 /nfs/dbraw/zinc/86/58/81/950865881.db2.gz AKXAISAAIFQDLA-GFCCVEGCSA-N -1 1 376.440 1.518 20 0 GDADMM C[C@@H]1[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)CCN1C(=O)c1cnon1 ZINC001575935410 950877255 /nfs/dbraw/zinc/87/72/55/950877255.db2.gz WBXVGLYHOAZDNH-PHDIDXHHSA-N -1 1 381.809 1.075 20 0 GDADMM C[C@@H]1[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCN1C(=O)c1cnon1 ZINC001575935410 950877272 /nfs/dbraw/zinc/87/72/72/950877272.db2.gz WBXVGLYHOAZDNH-PHDIDXHHSA-N -1 1 381.809 1.075 20 0 GDADMM C[C@H](CN(C)C(=O)c1coc(C(C)(C)C)n1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574768503 950890731 /nfs/dbraw/zinc/89/07/31/950890731.db2.gz YFESSGDITVLUBF-SNVBAGLBSA-N -1 1 385.432 1.515 20 0 GDADMM C[C@H](CN(C)C(=O)c1coc(C(C)(C)C)n1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574768503 950890745 /nfs/dbraw/zinc/89/07/45/950890745.db2.gz YFESSGDITVLUBF-SNVBAGLBSA-N -1 1 385.432 1.515 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)CC=CC2)CC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576226827 950892201 /nfs/dbraw/zinc/89/22/01/950892201.db2.gz AVYZKTRRGFXPAL-ZIAGYGMSSA-N -1 1 382.472 1.910 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)CC=CC2)CC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576226827 950892207 /nfs/dbraw/zinc/89/22/07/950892207.db2.gz AVYZKTRRGFXPAL-ZIAGYGMSSA-N -1 1 382.472 1.910 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1coc(C(F)F)c1 ZINC001575935847 950896872 /nfs/dbraw/zinc/89/68/72/950896872.db2.gz ZUKOTFQQAFQQCX-WCBMZHEXSA-N -1 1 390.354 1.902 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1coc(C(F)F)c1 ZINC001575935847 950896883 /nfs/dbraw/zinc/89/68/83/950896883.db2.gz ZUKOTFQQAFQQCX-WCBMZHEXSA-N -1 1 390.354 1.902 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N(CCO)CCNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575640809 950899945 /nfs/dbraw/zinc/89/99/45/950899945.db2.gz KPRVNFOCNRFULD-MRVPVSSYSA-N -1 1 385.881 1.256 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N(CCO)CCNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575640809 950899953 /nfs/dbraw/zinc/89/99/53/950899953.db2.gz KPRVNFOCNRFULD-MRVPVSSYSA-N -1 1 385.881 1.256 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1ccccn1 ZINC001575936211 950905891 /nfs/dbraw/zinc/90/58/91/950905891.db2.gz CVCVGZRBXVIGIM-OCCSQVGLSA-N -1 1 379.428 1.086 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1ccccn1 ZINC001575936211 950905911 /nfs/dbraw/zinc/90/59/11/950905911.db2.gz CVCVGZRBXVIGIM-OCCSQVGLSA-N -1 1 379.428 1.086 20 0 GDADMM CC(C)CCCC(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001574190731 950916628 /nfs/dbraw/zinc/91/66/28/950916628.db2.gz ZNKXHYMLJKNQCM-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CCCC(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001574190731 950916638 /nfs/dbraw/zinc/91/66/38/950916638.db2.gz ZNKXHYMLJKNQCM-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)C[C@H](NC(=O)c2ccon2)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575641419 950920980 /nfs/dbraw/zinc/92/09/80/950920980.db2.gz PSOHQPAUHGGSTE-LLVKDONJSA-N -1 1 383.416 1.070 20 0 GDADMM CC1(C)C[C@H](NC(=O)c2ccon2)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575641419 950920990 /nfs/dbraw/zinc/92/09/90/950920990.db2.gz PSOHQPAUHGGSTE-LLVKDONJSA-N -1 1 383.416 1.070 20 0 GDADMM CC(C)(CC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001573895563 950943918 /nfs/dbraw/zinc/94/39/18/950943918.db2.gz CUSAYCBZTVCOIX-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(CC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001573895563 950943935 /nfs/dbraw/zinc/94/39/35/950943935.db2.gz CUSAYCBZTVCOIX-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H]1CN(C(=O)C2CC3(CC3)C2)CC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576228429 950944624 /nfs/dbraw/zinc/94/46/24/950944624.db2.gz JZMQPOSNKPQXHQ-CHWSQXEVSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@@H]1CN(C(=O)C2CC3(CC3)C2)CC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576228429 950944636 /nfs/dbraw/zinc/94/46/36/950944636.db2.gz JZMQPOSNKPQXHQ-CHWSQXEVSA-N -1 1 382.472 1.743 20 0 GDADMM CCOC(=O)CCCCC[N@H+]1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001590414075 950950349 /nfs/dbraw/zinc/95/03/49/950950349.db2.gz PSLAXWUVICQVLL-YPMHNXCESA-N -1 1 382.379 1.706 20 0 GDADMM C[C@H]1[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCN1C(=O)c1cnco1 ZINC001575937698 950957990 /nfs/dbraw/zinc/95/79/90/950957990.db2.gz GYGKLCWAOSPXDG-NKWVEPMBSA-N -1 1 380.821 1.680 20 0 GDADMM C[C@H]1[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCN1C(=O)c1cnco1 ZINC001575937698 950958007 /nfs/dbraw/zinc/95/80/07/950958007.db2.gz GYGKLCWAOSPXDG-NKWVEPMBSA-N -1 1 380.821 1.680 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C)C1CC1 ZINC001573898150 950975084 /nfs/dbraw/zinc/97/50/84/950975084.db2.gz YFQOMURCMMBGBW-CQSZACIVSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C)C1CC1 ZINC001573898150 950975098 /nfs/dbraw/zinc/97/50/98/950975098.db2.gz YFQOMURCMMBGBW-CQSZACIVSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H]1CN(C(=O)C2CC3(CCC3)C2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576229699 950979494 /nfs/dbraw/zinc/97/94/94/950979494.db2.gz NWZUAGLDDMJCHJ-TZMCWYRMSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@@H]1CN(C(=O)C2CC3(CCC3)C2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576229699 950979506 /nfs/dbraw/zinc/97/95/06/950979506.db2.gz NWZUAGLDDMJCHJ-TZMCWYRMSA-N -1 1 382.472 1.743 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)CC(F)F ZINC001573899794 950987083 /nfs/dbraw/zinc/98/70/83/950987083.db2.gz KFMGNYMUGGRPBX-MSRIBSCDSA-N -1 1 392.414 1.279 20 0 GDADMM C[C@@H]1CN(C(=O)C2C=CC=CC=C2)CC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576230286 950999482 /nfs/dbraw/zinc/99/94/82/950999482.db2.gz ANKRLIGRIWOUQY-GDBMZVCRSA-N -1 1 392.467 1.274 20 0 GDADMM C[C@@H]1CN(C(=O)C2C(C)(C)C2(C)C)CC[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576230317 950999608 /nfs/dbraw/zinc/99/96/08/950999608.db2.gz AWWXSBINXQHYHK-VXGBXAGGSA-N -1 1 384.488 1.988 20 0 GDADMM C[C@@H]1CN(C(=O)C2C(C)(C)C2(C)C)CC[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576230317 950999629 /nfs/dbraw/zinc/99/96/29/950999629.db2.gz AWWXSBINXQHYHK-VXGBXAGGSA-N -1 1 384.488 1.988 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)F)cc1F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575019013 951029663 /nfs/dbraw/zinc/02/96/63/951029663.db2.gz PHQAUOVWRKWUBJ-MRVPVSSYSA-N -1 1 392.345 1.964 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)F)cc1F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575019013 951029678 /nfs/dbraw/zinc/02/96/78/951029678.db2.gz PHQAUOVWRKWUBJ-MRVPVSSYSA-N -1 1 392.345 1.964 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575019466 951039015 /nfs/dbraw/zinc/03/90/15/951039015.db2.gz TXZCBBOTEBMUQS-VIFPVBQESA-N -1 1 392.345 1.906 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575019466 951039028 /nfs/dbraw/zinc/03/90/28/951039028.db2.gz TXZCBBOTEBMUQS-VIFPVBQESA-N -1 1 392.345 1.906 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C2CC2)cn1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575022088 951067410 /nfs/dbraw/zinc/06/74/10/951067410.db2.gz GZZHGMISBRUDAQ-NSHDSACASA-N -1 1 379.428 1.407 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C2CC2)cn1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575022088 951067417 /nfs/dbraw/zinc/06/74/17/951067417.db2.gz GZZHGMISBRUDAQ-NSHDSACASA-N -1 1 379.428 1.407 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)c2occc21)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575024219 951096185 /nfs/dbraw/zinc/09/61/85/951096185.db2.gz XZVRACBRIIQMIC-SECBINFHSA-N -1 1 382.359 1.772 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)c2occc21)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575024219 951096193 /nfs/dbraw/zinc/09/61/93/951096193.db2.gz XZVRACBRIIQMIC-SECBINFHSA-N -1 1 382.359 1.772 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C2CC2)cc1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575024267 951100181 /nfs/dbraw/zinc/10/01/81/951100181.db2.gz ZGRXLVRXLDQBBM-GFCCVEGCSA-N -1 1 378.440 1.789 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C2CC2)cc1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575024267 951100190 /nfs/dbraw/zinc/10/01/90/951100190.db2.gz ZGRXLVRXLDQBBM-GFCCVEGCSA-N -1 1 378.440 1.789 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)cn1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001575024359 951102186 /nfs/dbraw/zinc/10/21/86/951102186.db2.gz BVZRNGQVGWEAIY-LURJTMIESA-N -1 1 382.812 1.741 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)cn1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575024359 951102196 /nfs/dbraw/zinc/10/21/96/951102196.db2.gz BVZRNGQVGWEAIY-LURJTMIESA-N -1 1 382.812 1.741 20 0 GDADMM CC(C)c1cccc(C(=O)NC[C@@H](C)CNc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001575025837 951134829 /nfs/dbraw/zinc/13/48/29/951134829.db2.gz BUNRHOHNXDSMCT-LBPRGKRZSA-N -1 1 381.444 1.653 20 0 GDADMM CC(C)c1cccc(C(=O)NC[C@@H](C)CNc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001575025837 951134835 /nfs/dbraw/zinc/13/48/35/951134835.db2.gz BUNRHOHNXDSMCT-LBPRGKRZSA-N -1 1 381.444 1.653 20 0 GDADMM C[C@H](CNC(=O)c1cccc(C2CC2)c1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575025922 951135064 /nfs/dbraw/zinc/13/50/64/951135064.db2.gz CUJVNWBESKJDIL-GFCCVEGCSA-N -1 1 378.440 1.789 20 0 GDADMM C[C@H](CNC(=O)c1cccc(C2CC2)c1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575025922 951135071 /nfs/dbraw/zinc/13/50/71/951135071.db2.gz CUJVNWBESKJDIL-GFCCVEGCSA-N -1 1 378.440 1.789 20 0 GDADMM CC(C)(C)CC[C@H](NC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O)C(=O)[O-] ZINC001602861420 971721257 /nfs/dbraw/zinc/72/12/57/971721257.db2.gz WKYXVPMYZAUOCJ-HNNXBMFYSA-N -1 1 387.436 1.654 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2c1CCCC2)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575027949 951162975 /nfs/dbraw/zinc/16/29/75/951162975.db2.gz JQPLOCPOWAFPIJ-ZDUSSCGKSA-N -1 1 392.467 1.790 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2c1CCCC2)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575027949 951162983 /nfs/dbraw/zinc/16/29/83/951162983.db2.gz JQPLOCPOWAFPIJ-ZDUSSCGKSA-N -1 1 392.467 1.790 20 0 GDADMM C[C@H](CNC(=O)c1cccc(C(F)F)c1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575028986 951180202 /nfs/dbraw/zinc/18/02/02/951180202.db2.gz YBFFJIITRJONOX-SNVBAGLBSA-N -1 1 388.382 1.849 20 0 GDADMM C[C@@H](CNC(=O)c1ccccc1C1(C)CC1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575029698 951189915 /nfs/dbraw/zinc/18/99/15/951189915.db2.gz WVSBCVYWPXXPCK-ZDUSSCGKSA-N -1 1 392.467 1.963 20 0 GDADMM C[C@@H](CNC(=O)c1ccccc1C1(C)CC1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575029698 951189921 /nfs/dbraw/zinc/18/99/21/951189921.db2.gz WVSBCVYWPXXPCK-ZDUSSCGKSA-N -1 1 392.467 1.963 20 0 GDADMM C[C@H](CNC(=O)c1cccn1C)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575031809 951204837 /nfs/dbraw/zinc/20/48/37/951204837.db2.gz JMSHFRXZUSGYQR-MRVPVSSYSA-N -1 1 380.865 1.570 20 0 GDADMM C[C@H](CNC(=O)c1cccn1C)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575031809 951204839 /nfs/dbraw/zinc/20/48/39/951204839.db2.gz JMSHFRXZUSGYQR-MRVPVSSYSA-N -1 1 380.865 1.570 20 0 GDADMM C[C@@H](CNC(=O)c1ccnnc1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001575033857 951229374 /nfs/dbraw/zinc/22/93/74/951229374.db2.gz CXYVCIHVRGGERY-ZETCQYMHSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@@H](CNC(=O)c1ccnnc1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001575033857 951229380 /nfs/dbraw/zinc/22/93/80/951229380.db2.gz CXYVCIHVRGGERY-ZETCQYMHSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@H](CNC(=O)c1ccns1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001575038889 951326373 /nfs/dbraw/zinc/32/63/73/951326373.db2.gz MQOOVHCZFUATFX-ZCFIWIBFSA-N -1 1 384.878 1.688 20 0 GDADMM C[C@H](CNC(=O)c1ccns1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001575038889 951326389 /nfs/dbraw/zinc/32/63/89/951326389.db2.gz MQOOVHCZFUATFX-ZCFIWIBFSA-N -1 1 384.878 1.688 20 0 GDADMM C[C@H](CNC(=O)c1ccsc1Cl)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575040033 951336813 /nfs/dbraw/zinc/33/68/13/951336813.db2.gz SYKUPGAKUPIELS-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@H](CNC(=O)c1ccsc1Cl)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575040033 951336823 /nfs/dbraw/zinc/33/68/23/951336823.db2.gz SYKUPGAKUPIELS-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@H](CNC(=O)c1cnc2ccsc2c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575044372 951413582 /nfs/dbraw/zinc/41/35/82/951413582.db2.gz RPGIMVYMDYICBV-SECBINFHSA-N -1 1 381.425 1.497 20 0 GDADMM C[C@H](CNC(=O)c1cnc2ccsc2c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575044372 951413592 /nfs/dbraw/zinc/41/35/92/951413592.db2.gz RPGIMVYMDYICBV-SECBINFHSA-N -1 1 381.425 1.497 20 0 GDADMM C[C@@H](CNC(=O)c1cncnc1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575045586 951430445 /nfs/dbraw/zinc/43/04/45/951430445.db2.gz DXPYGNFPKBMEOO-ZETCQYMHSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@@H](CNC(=O)c1cncnc1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575045586 951430460 /nfs/dbraw/zinc/43/04/60/951430460.db2.gz DXPYGNFPKBMEOO-ZETCQYMHSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@@H](CNC(=O)c1cncnc1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001575046030 951437274 /nfs/dbraw/zinc/43/72/74/951437274.db2.gz KTYLHVXUNCDQTQ-ZETCQYMHSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@@H](CNC(=O)c1cncnc1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001575046030 951437286 /nfs/dbraw/zinc/43/72/86/951437286.db2.gz KTYLHVXUNCDQTQ-ZETCQYMHSA-N -1 1 379.837 1.021 20 0 GDADMM CC(C)Oc1cncc(C(=O)NC[C@H](C)Nc2nccnc2-c2nnn[n-]2)c1 ZINC001575046411 951440811 /nfs/dbraw/zinc/44/08/11/951440811.db2.gz NUZJQEJZQGNVFO-NSHDSACASA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1cncc(C(=O)NC[C@H](C)Nc2nccnc2-c2nn[n-]n2)c1 ZINC001575046411 951440818 /nfs/dbraw/zinc/44/08/18/951440818.db2.gz NUZJQEJZQGNVFO-NSHDSACASA-N -1 1 383.416 1.069 20 0 GDADMM C[C@@H](CNC(=O)c1cnn(C(C)(C)C)c1)CNc1nccnc1-c1nnn[n-]1 ZINC001575054108 951487201 /nfs/dbraw/zinc/48/72/01/951487201.db2.gz VRPPBSYZAQVWKM-LLVKDONJSA-N -1 1 384.448 1.086 20 0 GDADMM C[C@@H](CNC(=O)c1cnn(C(C)(C)C)c1)CNc1nccnc1-c1nn[n-]n1 ZINC001575054108 951487210 /nfs/dbraw/zinc/48/72/10/951487210.db2.gz VRPPBSYZAQVWKM-LLVKDONJSA-N -1 1 384.448 1.086 20 0 GDADMM C[C@@H](CNC(=O)c1cnsn1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575054234 951489564 /nfs/dbraw/zinc/48/95/64/951489564.db2.gz GMNNJDCFXJLHOF-YFKPBYRVSA-N -1 1 385.866 1.083 20 0 GDADMM C[C@@H](CNC(=O)c1cnsn1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575054234 951489571 /nfs/dbraw/zinc/48/95/71/951489571.db2.gz GMNNJDCFXJLHOF-YFKPBYRVSA-N -1 1 385.866 1.083 20 0 GDADMM C[C@@H](CNC(=O)c1coc(CC2CC2)n1)CNc1nccnc1-c1nnn[n-]1 ZINC001575056291 951518676 /nfs/dbraw/zinc/51/86/76/951518676.db2.gz GRBXNGCUYHLZPW-SNVBAGLBSA-N -1 1 383.416 1.075 20 0 GDADMM C[C@@H](CNC(=O)c1coc(CC2CC2)n1)CNc1nccnc1-c1nn[n-]n1 ZINC001575056291 951518683 /nfs/dbraw/zinc/51/86/83/951518683.db2.gz GRBXNGCUYHLZPW-SNVBAGLBSA-N -1 1 383.416 1.075 20 0 GDADMM C[C@@H](CNC(=O)c1noc2c1CCCC2)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575066479 951597552 /nfs/dbraw/zinc/59/75/52/951597552.db2.gz MMXNZAYEPKLZFC-SNVBAGLBSA-N -1 1 383.416 1.002 20 0 GDADMM C[C@@H](CNC(=O)c1noc2c1CCCC2)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575066479 951597559 /nfs/dbraw/zinc/59/75/59/951597559.db2.gz MMXNZAYEPKLZFC-SNVBAGLBSA-N -1 1 383.416 1.002 20 0 GDADMM C[C@H](CNC(=O)c1scnc1Cl)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575068533 951634361 /nfs/dbraw/zinc/63/43/61/951634361.db2.gz AEEKTXCYAGHOBX-SSDOTTSWSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@H](CNC(=O)c1ncoc1C(C)(C)C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575068289 951634402 /nfs/dbraw/zinc/63/44/02/951634402.db2.gz ZLURKQKUDKOUCD-SNVBAGLBSA-N -1 1 385.432 1.197 20 0 GDADMM C[C@H](CNC(=O)c1ncoc1C(C)(C)C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575068289 951634410 /nfs/dbraw/zinc/63/44/10/951634410.db2.gz ZLURKQKUDKOUCD-SNVBAGLBSA-N -1 1 385.432 1.197 20 0 GDADMM C[C@H](CNC(=O)c1scnc1C(F)F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575068563 951636690 /nfs/dbraw/zinc/63/66/90/951636690.db2.gz AWJAZCGJARTNAD-ZCFIWIBFSA-N -1 1 381.372 1.281 20 0 GDADMM C[C@H](CNC(=O)c1scnc1C(F)F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575068563 951636696 /nfs/dbraw/zinc/63/66/96/951636696.db2.gz AWJAZCGJARTNAD-ZCFIWIBFSA-N -1 1 381.372 1.281 20 0 GDADMM C[C@H](CNC(=O)c1scnc1Cl)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575069598 951645423 /nfs/dbraw/zinc/64/54/23/951645423.db2.gz KZEKGIBFKQFILD-ZETCQYMHSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@H](CNC(=O)c1scnc1Cl)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575069598 951645429 /nfs/dbraw/zinc/64/54/29/951645429.db2.gz KZEKGIBFKQFILD-ZETCQYMHSA-N -1 1 379.837 1.245 20 0 GDADMM O=C([O-])CN1CC[C@@H](Sc2nc(-c3ccc4c(c3)OCCO4)n[nH]2)C1=O ZINC001595081009 951677141 /nfs/dbraw/zinc/67/71/41/951677141.db2.gz DCSXZDCRGQQBRB-GFCCVEGCSA-N -1 1 376.394 1.021 20 0 GDADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)CC[C@@H]1CCCO1)C1CC1 ZINC001575129223 952076261 /nfs/dbraw/zinc/07/62/61/952076261.db2.gz RHLUMIJDVNTHFG-UGSOOPFHSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)CC[C@@H]1CCCO1)C1CC1 ZINC001575129223 952076271 /nfs/dbraw/zinc/07/62/71/952076271.db2.gz RHLUMIJDVNTHFG-UGSOOPFHSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)CCc1ccco1)C1CC1 ZINC001575129714 952085701 /nfs/dbraw/zinc/08/57/01/952085701.db2.gz ZKHWFJFTSDZYAS-GOSISDBHSA-N -1 1 382.428 1.579 20 0 GDADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)CCc1ccco1)C1CC1 ZINC001575129714 952085707 /nfs/dbraw/zinc/08/57/07/952085707.db2.gz ZKHWFJFTSDZYAS-GOSISDBHSA-N -1 1 382.428 1.579 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@]1(C)CCc2ccccc21 ZINC001575133013 952100080 /nfs/dbraw/zinc/10/00/80/952100080.db2.gz JIHDEXJZUNDOAG-RNODOKPDSA-N -1 1 392.467 1.820 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@]1(C)CCc2ccccc21 ZINC001575133013 952100087 /nfs/dbraw/zinc/10/00/87/952100087.db2.gz JIHDEXJZUNDOAG-RNODOKPDSA-N -1 1 392.467 1.820 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001575135437 952117365 /nfs/dbraw/zinc/11/73/65/952117365.db2.gz ROKVYVIDPWJGSA-JTQLQIEISA-N -1 1 384.448 1.250 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1coc(CC2CC2)n1 ZINC001575135694 952119626 /nfs/dbraw/zinc/11/96/26/952119626.db2.gz MXKORKBTEXDJAK-SNVBAGLBSA-N -1 1 383.416 1.170 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1coc(CC2CC2)n1 ZINC001575135694 952119631 /nfs/dbraw/zinc/11/96/31/952119631.db2.gz MXKORKBTEXDJAK-SNVBAGLBSA-N -1 1 383.416 1.170 20 0 GDADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)CC1CC(F)(F)C1)C1CC1 ZINC001575135598 952120039 /nfs/dbraw/zinc/12/00/39/952120039.db2.gz LXVPYXMIGINCCP-MRXNPFEDSA-N -1 1 392.414 1.211 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)C[C@H]1CCCC1(F)F ZINC001575136951 952131298 /nfs/dbraw/zinc/13/12/98/952131298.db2.gz YGKGCCIMOGEBOD-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)C[C@H]1CCCC1(F)F ZINC001575136951 952131302 /nfs/dbraw/zinc/13/13/02/952131302.db2.gz YGKGCCIMOGEBOD-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCCc2ccccc21 ZINC001575144660 952169178 /nfs/dbraw/zinc/16/91/78/952169178.db2.gz XDGAQRMDKNOOPV-BBRMVZONSA-N -1 1 392.467 1.458 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc2c(c1)CCC2 ZINC001575145008 952176008 /nfs/dbraw/zinc/17/60/08/952176008.db2.gz OBFLPYJQWRJKTM-LBPRGKRZSA-N -1 1 378.440 1.140 20 0 GDADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)c1ccoc1Cl)C1CC1 ZINC001575153622 952211478 /nfs/dbraw/zinc/21/14/78/952211478.db2.gz IVTVGKMOMOCYDQ-MRXNPFEDSA-N -1 1 388.819 1.914 20 0 GDADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)c1ccoc1Cl)C1CC1 ZINC001575153622 952211483 /nfs/dbraw/zinc/21/14/83/952211483.db2.gz IVTVGKMOMOCYDQ-MRXNPFEDSA-N -1 1 388.819 1.914 20 0 GDADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)c1ccccc1F)C1CC1 ZINC001575153832 952213089 /nfs/dbraw/zinc/21/30/89/952213089.db2.gz LHQQOWIIZNVKRH-SFHVURJKSA-N -1 1 382.403 1.806 20 0 GDADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)c1ccccc1F)C1CC1 ZINC001575153832 952213097 /nfs/dbraw/zinc/21/30/97/952213097.db2.gz LHQQOWIIZNVKRH-SFHVURJKSA-N -1 1 382.403 1.806 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)C[C@@H]1CCCC1(F)F ZINC001575154226 952217445 /nfs/dbraw/zinc/21/74/45/952217445.db2.gz QIZCKBZCGSNIMX-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)C[C@@H]1CCCC1(F)F ZINC001575154226 952217452 /nfs/dbraw/zinc/21/74/52/952217452.db2.gz QIZCKBZCGSNIMX-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1csc(Cl)n1 ZINC001575154718 952229831 /nfs/dbraw/zinc/22/98/31/952229831.db2.gz HITFSXPIEAZHFZ-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1csc(Cl)n1 ZINC001575154718 952229838 /nfs/dbraw/zinc/22/98/38/952229838.db2.gz HITFSXPIEAZHFZ-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)CC1CC(F)(F)C1)C1CC1 ZINC001575155638 952244332 /nfs/dbraw/zinc/24/43/32/952244332.db2.gz OTWPZDNXJQUCBB-MRXNPFEDSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)CC1CC(F)(F)C1)C1CC1 ZINC001575155638 952244338 /nfs/dbraw/zinc/24/43/38/952244338.db2.gz OTWPZDNXJQUCBB-MRXNPFEDSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ncoc1C(C)(C)C ZINC001575156593 952254369 /nfs/dbraw/zinc/25/43/69/952254369.db2.gz VJXAAHPACWVVOX-JTQLQIEISA-N -1 1 385.432 1.515 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ncoc1C(C)(C)C ZINC001575156593 952254376 /nfs/dbraw/zinc/25/43/76/952254376.db2.gz VJXAAHPACWVVOX-JTQLQIEISA-N -1 1 385.432 1.515 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ccnc(C2CC2)c1 ZINC001575156884 952258352 /nfs/dbraw/zinc/25/83/52/952258352.db2.gz XEBUREDWBJNSMX-NSHDSACASA-N -1 1 379.428 1.502 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ccnc(C2CC2)c1 ZINC001575156884 952258355 /nfs/dbraw/zinc/25/83/55/952258355.db2.gz XEBUREDWBJNSMX-NSHDSACASA-N -1 1 379.428 1.502 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)C[C@H]1CCC(C)(C)CO1 ZINC001575157876 952268520 /nfs/dbraw/zinc/26/85/20/952268520.db2.gz QBZHJXBYRCMWGW-CHWSQXEVSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)C[C@H]1CCC(C)(C)CO1 ZINC001575157876 952268527 /nfs/dbraw/zinc/26/85/27/952268527.db2.gz QBZHJXBYRCMWGW-CHWSQXEVSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1coc(C(C)(C)C)n1 ZINC001575158027 952269659 /nfs/dbraw/zinc/26/96/59/952269659.db2.gz REAREYDYPRDXEM-JTQLQIEISA-N -1 1 385.432 1.515 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1coc(C(C)(C)C)n1 ZINC001575158027 952269664 /nfs/dbraw/zinc/26/96/64/952269664.db2.gz REAREYDYPRDXEM-JTQLQIEISA-N -1 1 385.432 1.515 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H]1COc2ccccc21 ZINC001575158549 952272617 /nfs/dbraw/zinc/27/26/17/952272617.db2.gz WGYCUVWSIBYAPF-WCQYABFASA-N -1 1 380.412 1.092 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1COc2ccccc21 ZINC001575158549 952272623 /nfs/dbraw/zinc/27/26/23/952272623.db2.gz WGYCUVWSIBYAPF-WCQYABFASA-N -1 1 380.412 1.092 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001575164599 952294981 /nfs/dbraw/zinc/29/49/81/952294981.db2.gz FZFKSQAVTXUSKB-HXFLIBJXSA-N -1 1 383.865 1.128 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001575164599 952294988 /nfs/dbraw/zinc/29/49/88/952294988.db2.gz FZFKSQAVTXUSKB-HXFLIBJXSA-N -1 1 383.865 1.128 20 0 GDADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)CC1(O)CCC1 ZINC001575164789 952299116 /nfs/dbraw/zinc/29/91/16/952299116.db2.gz HUQCDKPSRGESJQ-MRVPVSSYSA-N -1 1 385.881 1.541 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)c1ccncn1 ZINC001575166794 952329469 /nfs/dbraw/zinc/32/94/69/952329469.db2.gz ZJPGXKXGIZDIHP-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)c1ccncn1 ZINC001575166794 952329478 /nfs/dbraw/zinc/32/94/78/952329478.db2.gz ZJPGXKXGIZDIHP-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)c1cc(Cl)c[nH]1)C1CC1 ZINC001575173846 952357377 /nfs/dbraw/zinc/35/73/77/952357377.db2.gz BHCVKSBMJMFOBK-INIZCTEOSA-N -1 1 387.835 1.649 20 0 GDADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)c1cc(Cl)c[nH]1)C1CC1 ZINC001575173846 952357388 /nfs/dbraw/zinc/35/73/88/952357388.db2.gz BHCVKSBMJMFOBK-INIZCTEOSA-N -1 1 387.835 1.649 20 0 GDADMM C[C@](CO)(NC(=O)c1cccc(-c2nnn[n-]2)n1)c1cccc(C(F)(F)F)c1 ZINC001575177319 952401042 /nfs/dbraw/zinc/40/10/42/952401042.db2.gz LIGGVYQXMSIWIT-MRXNPFEDSA-N -1 1 392.341 1.918 20 0 GDADMM C[C@](CO)(NC(=O)c1cccc(-c2nn[n-]n2)n1)c1cccc(C(F)(F)F)c1 ZINC001575177319 952401044 /nfs/dbraw/zinc/40/10/44/952401044.db2.gz LIGGVYQXMSIWIT-MRXNPFEDSA-N -1 1 392.341 1.918 20 0 GDADMM C[C@](CO)(NC(=O)c1ccc(-c2nnn[n-]2)o1)c1cccc(Br)c1 ZINC001575179012 952409919 /nfs/dbraw/zinc/40/99/19/952409919.db2.gz RZFPRVZUYFOUPP-OAHLLOKOSA-N -1 1 392.213 1.860 20 0 GDADMM C[C@](CO)(NC(=O)c1ccc(-c2nn[n-]n2)o1)c1cccc(Br)c1 ZINC001575179012 952409923 /nfs/dbraw/zinc/40/99/23/952409923.db2.gz RZFPRVZUYFOUPP-OAHLLOKOSA-N -1 1 392.213 1.860 20 0 GDADMM C[C@H](COc1ccccc1F)NS(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001575179145 952409995 /nfs/dbraw/zinc/40/99/95/952409995.db2.gz TUCHGBQBWVOQKI-SECBINFHSA-N -1 1 383.430 1.813 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)c1ccn(C)n1 ZINC001575179455 952411621 /nfs/dbraw/zinc/41/16/21/952411621.db2.gz PEZAVGWCVCXJDJ-ZETCQYMHSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)c1ccn(C)n1 ZINC001575179455 952411625 /nfs/dbraw/zinc/41/16/25/952411625.db2.gz PEZAVGWCVCXJDJ-ZETCQYMHSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001575187655 952443335 /nfs/dbraw/zinc/44/33/35/952443335.db2.gz DNVKDUHKGRNRMD-QWHCGFSZSA-N -1 1 382.428 1.389 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001575187655 952443337 /nfs/dbraw/zinc/44/33/37/952443337.db2.gz DNVKDUHKGRNRMD-QWHCGFSZSA-N -1 1 382.428 1.389 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC001575188450 952448006 /nfs/dbraw/zinc/44/80/06/952448006.db2.gz IJPHOZXFGXTBLD-NWDGAFQWSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC001575188450 952448009 /nfs/dbraw/zinc/44/80/09/952448009.db2.gz IJPHOZXFGXTBLD-NWDGAFQWSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001575195492 952471972 /nfs/dbraw/zinc/47/19/72/952471972.db2.gz BLDWMJVBRJQTKA-SCRDCRAPSA-N -1 1 382.428 1.212 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001575195492 952471976 /nfs/dbraw/zinc/47/19/76/952471976.db2.gz BLDWMJVBRJQTKA-SCRDCRAPSA-N -1 1 382.428 1.212 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001575195489 952472109 /nfs/dbraw/zinc/47/21/09/952472109.db2.gz BLDWMJVBRJQTKA-BZPMIXESSA-N -1 1 382.428 1.212 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001575195489 952472112 /nfs/dbraw/zinc/47/21/12/952472112.db2.gz BLDWMJVBRJQTKA-BZPMIXESSA-N -1 1 382.428 1.212 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575197306 952481333 /nfs/dbraw/zinc/48/13/33/952481333.db2.gz SJTAMNXSWBMUQB-STQMWFEESA-N -1 1 382.428 1.214 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575197405 952484412 /nfs/dbraw/zinc/48/44/12/952484412.db2.gz VMRANBWIVIEDSH-CHWSQXEVSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575197405 952484416 /nfs/dbraw/zinc/48/44/16/952484416.db2.gz VMRANBWIVIEDSH-CHWSQXEVSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CCCC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575197739 952487209 /nfs/dbraw/zinc/48/72/09/952487209.db2.gz ZCGGRRMUAMUTED-NWANDNLSSA-N -1 1 396.455 1.968 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CCCC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575197739 952487214 /nfs/dbraw/zinc/48/72/14/952487214.db2.gz ZCGGRRMUAMUTED-NWANDNLSSA-N -1 1 396.455 1.968 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575197786 952487375 /nfs/dbraw/zinc/48/73/75/952487375.db2.gz ZSZICRCIXUSFAR-CHWSQXEVSA-N -1 1 382.428 1.214 20 0 GDADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)[C@@H]1CCCC[C@@H]1N1CCCC1=O ZINC001571118716 952489208 /nfs/dbraw/zinc/48/92/08/952489208.db2.gz ZCOKFSDVEGIEEO-PWSUYJOCSA-N -1 1 375.458 1.121 20 0 GDADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)[C@@H]1CCCC[C@@H]1N1CCCC1=O ZINC001571118716 952489209 /nfs/dbraw/zinc/48/92/09/952489209.db2.gz ZCOKFSDVEGIEEO-PWSUYJOCSA-N -1 1 375.458 1.121 20 0 GDADMM OCC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)c1ccccc1Br ZINC001571119613 952493719 /nfs/dbraw/zinc/49/37/19/952493719.db2.gz DCVDXCXVDXQLAF-NSHDSACASA-N -1 1 376.218 1.377 20 0 GDADMM O=C(NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1)[C@H]1Cc2ccccc21 ZINC001571119699 952494311 /nfs/dbraw/zinc/49/43/11/952494311.db2.gz DPFQYKQRQQXARQ-HGMXIMQMSA-N -1 1 376.424 1.303 20 0 GDADMM O=C(NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1)[C@H]1Cc2ccccc21 ZINC001571119699 952494321 /nfs/dbraw/zinc/49/43/21/952494321.db2.gz DPFQYKQRQQXARQ-HGMXIMQMSA-N -1 1 376.424 1.303 20 0 GDADMM O=C(NCc1ccc(CNc2cnc(-c3nnn[n-]3)cn2)cc1)[C@H]1CC12CC2 ZINC001571120152 952500005 /nfs/dbraw/zinc/50/00/05/952500005.db2.gz KCGSOMLCUFWTRE-CQSZACIVSA-N -1 1 376.424 1.685 20 0 GDADMM O=C(NCc1ccc(CNc2cnc(-c3nn[n-]n3)cn2)cc1)[C@H]1CC12CC2 ZINC001571120152 952500012 /nfs/dbraw/zinc/50/00/12/952500012.db2.gz KCGSOMLCUFWTRE-CQSZACIVSA-N -1 1 376.424 1.685 20 0 GDADMM C[C@@](O)(CNc1ccc(-c2nnn[n-]2)nn1)c1ccccc1Br ZINC001571121082 952514628 /nfs/dbraw/zinc/51/46/28/952514628.db2.gz VMGPMVUEGFFBJR-CQSZACIVSA-N -1 1 376.218 1.739 20 0 GDADMM C[C@@](O)(CNc1ccc(-c2nn[n-]n2)nn1)c1ccccc1Br ZINC001571121082 952514632 /nfs/dbraw/zinc/51/46/32/952514632.db2.gz VMGPMVUEGFFBJR-CQSZACIVSA-N -1 1 376.218 1.739 20 0 GDADMM O=C(N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1coc(C(F)F)c1 ZINC001571121210 952517817 /nfs/dbraw/zinc/51/78/17/952517817.db2.gz YEMMMKPWGGGULO-VIFPVBQESA-N -1 1 376.327 1.196 20 0 GDADMM O=C(N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1coc(C(F)F)c1 ZINC001571121210 952517821 /nfs/dbraw/zinc/51/78/21/952517821.db2.gz YEMMMKPWGGGULO-VIFPVBQESA-N -1 1 376.327 1.196 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cc(Cl)no1 ZINC001571121275 952517920 /nfs/dbraw/zinc/51/79/20/952517920.db2.gz ZSPUFNHTZDUMFS-JGVFFNPUSA-N -1 1 375.780 1.013 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cc(Cl)no1 ZINC001571121275 952517925 /nfs/dbraw/zinc/51/79/25/952517925.db2.gz ZSPUFNHTZDUMFS-JGVFFNPUSA-N -1 1 375.780 1.013 20 0 GDADMM CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NCc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571121917 952522534 /nfs/dbraw/zinc/52/25/34/952522534.db2.gz DXVTXIUEKLTRSW-RYUDHWBXSA-N -1 1 376.486 1.829 20 0 GDADMM O=C(c1ccccc1)N1CCC[C@H]2[C@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001571124166 952535127 /nfs/dbraw/zinc/53/51/27/952535127.db2.gz ZVMOLFLEGKVDBU-JKSUJKDBSA-N -1 1 376.424 1.540 20 0 GDADMM O=C(c1ccccc1)N1CCC[C@H]2[C@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001571124166 952535130 /nfs/dbraw/zinc/53/51/30/952535130.db2.gz ZVMOLFLEGKVDBU-JKSUJKDBSA-N -1 1 376.424 1.540 20 0 GDADMM CC[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571127328 952554134 /nfs/dbraw/zinc/55/41/34/952554134.db2.gz DFIDVRCPSJUFPH-TUAOUCFPSA-N -1 1 377.474 1.460 20 0 GDADMM Cc1nsc(N2CCC[C@H](CNC(=O)[C@H]3CCOC3)C2)c1-c1nn[n-]n1 ZINC001571127416 952555769 /nfs/dbraw/zinc/55/57/69/952555769.db2.gz GXDSQMIWBDCFLL-NEPJUHHUSA-N -1 1 377.474 1.001 20 0 GDADMM O=C(c1cncnc1)N1CC[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571127547 952556506 /nfs/dbraw/zinc/55/65/06/952556506.db2.gz HPHCLUWOAWVDFH-MRVPVSSYSA-N -1 1 377.821 1.093 20 0 GDADMM O=C(c1cncnc1)N1CC[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571127547 952556511 /nfs/dbraw/zinc/55/65/11/952556511.db2.gz HPHCLUWOAWVDFH-MRVPVSSYSA-N -1 1 377.821 1.093 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1 ZINC001575213635 952558955 /nfs/dbraw/zinc/55/89/55/952558955.db2.gz DHPBZXXIWLOEGT-FOGDFJRCSA-N -1 1 392.414 1.564 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1 ZINC001575213635 952558966 /nfs/dbraw/zinc/55/89/66/952558966.db2.gz DHPBZXXIWLOEGT-FOGDFJRCSA-N -1 1 392.414 1.564 20 0 GDADMM Cc1nsc(NC[C@@]2(C)CCN(C(=O)[C@@H]3CCCO3)C2)c1-c1nn[n-]n1 ZINC001571127852 952560555 /nfs/dbraw/zinc/56/05/55/952560555.db2.gz KRQYEDGBSZCVGB-MEDUHNTESA-N -1 1 377.474 1.461 20 0 GDADMM Cc1nsc(NC[C@H]2CCN(C(=O)C[C@H]3CCCO3)C2)c1-c1nn[n-]n1 ZINC001571127814 952560870 /nfs/dbraw/zinc/56/08/70/952560870.db2.gz KGHIEMKDTUSMCX-VXGBXAGGSA-N -1 1 377.474 1.461 20 0 GDADMM Cc1c(Br)ccnc1NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001571130571 952580828 /nfs/dbraw/zinc/58/08/28/952580828.db2.gz UAXJSZGTBNWJAI-ZETCQYMHSA-N -1 1 378.194 1.124 20 0 GDADMM Cc1ccccc1CC(=O)NC1CC(CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571134015 952585442 /nfs/dbraw/zinc/58/54/42/952585442.db2.gz BLSAKEBRTMAJRX-UHFFFAOYSA-N -1 1 378.440 1.515 20 0 GDADMM Cc1ccccc1CC(=O)NC1CC(CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571134015 952585444 /nfs/dbraw/zinc/58/54/44/952585444.db2.gz BLSAKEBRTMAJRX-UHFFFAOYSA-N -1 1 378.440 1.515 20 0 GDADMM CN(C[C@H]1CCCN(C(=O)c2ccccc2)C1)c1nccnc1-c1nnn[n-]1 ZINC001571134297 952588910 /nfs/dbraw/zinc/58/89/10/952588910.db2.gz DFPOARQCAMMSBO-CQSZACIVSA-N -1 1 378.440 1.645 20 0 GDADMM CN(C[C@H]1CCCN(C(=O)c2ccccc2)C1)c1nccnc1-c1nn[n-]n1 ZINC001571134297 952588916 /nfs/dbraw/zinc/58/89/16/952588916.db2.gz DFPOARQCAMMSBO-CQSZACIVSA-N -1 1 378.440 1.645 20 0 GDADMM Cc1cccc(CC(=O)N(C)[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571134835 952596138 /nfs/dbraw/zinc/59/61/38/952596138.db2.gz ODANTZTUIAUZMB-OAHLLOKOSA-N -1 1 378.440 1.245 20 0 GDADMM Cc1cccc(CC(=O)N(C)[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571134835 952596142 /nfs/dbraw/zinc/59/61/42/952596142.db2.gz ODANTZTUIAUZMB-OAHLLOKOSA-N -1 1 378.440 1.245 20 0 GDADMM C[C@H](CC(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)c1ccccc1 ZINC001571134928 952597847 /nfs/dbraw/zinc/59/78/47/952597847.db2.gz NMETVHSZWOFACR-CQSZACIVSA-N -1 1 378.440 1.499 20 0 GDADMM C[C@H](CC(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)c1ccccc1 ZINC001571134928 952597851 /nfs/dbraw/zinc/59/78/51/952597851.db2.gz NMETVHSZWOFACR-CQSZACIVSA-N -1 1 378.440 1.499 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@@H]2C)cc1C ZINC001571135349 952602170 /nfs/dbraw/zinc/60/21/70/952602170.db2.gz VZYKBCRCBMTPDU-DZGCQCFKSA-N -1 1 378.440 1.989 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@@H]2C)cc1C ZINC001571135349 952602173 /nfs/dbraw/zinc/60/21/73/952602173.db2.gz VZYKBCRCBMTPDU-DZGCQCFKSA-N -1 1 378.440 1.989 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)[C@@H]2C)cc1 ZINC001571135511 952604496 /nfs/dbraw/zinc/60/44/96/952604496.db2.gz ZMZOSBKSSKRYNG-HIFRSBDPSA-N -1 1 378.440 1.671 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)[C@@H]2C)cc1 ZINC001571135511 952604502 /nfs/dbraw/zinc/60/45/02/952604502.db2.gz ZMZOSBKSSKRYNG-HIFRSBDPSA-N -1 1 378.440 1.671 20 0 GDADMM Cn1cc(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)c(C(F)(F)F)n1 ZINC001571140523 952626427 /nfs/dbraw/zinc/62/64/27/952626427.db2.gz CBYDHPHCHHISFJ-UHFFFAOYSA-N -1 1 378.727 1.981 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CC[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571142563 952642912 /nfs/dbraw/zinc/64/29/12/952642912.db2.gz UQTWUCVJNWBMAT-QMMMGPOBSA-N -1 1 378.849 1.940 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571146651 952651250 /nfs/dbraw/zinc/65/12/50/952651250.db2.gz ACIQBIHIJXMYAD-TXEJJXNPSA-N -1 1 379.428 1.548 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571146651 952651255 /nfs/dbraw/zinc/65/12/55/952651255.db2.gz ACIQBIHIJXMYAD-TXEJJXNPSA-N -1 1 379.428 1.548 20 0 GDADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)[C@@H]1CCCN(C(=O)c2cccnc2)C1 ZINC001571146773 952652207 /nfs/dbraw/zinc/65/22/07/952652207.db2.gz BSTCGQJSNSWTGP-GXTWGEPZSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)c2cccnc2)C1 ZINC001571146773 952652211 /nfs/dbraw/zinc/65/22/11/952652211.db2.gz BSTCGQJSNSWTGP-GXTWGEPZSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@@H]1CCCN(C(=O)c2ccccn2)C1 ZINC001571147732 952663369 /nfs/dbraw/zinc/66/33/69/952663369.db2.gz PFJKRTDKXQRJFJ-CHWSQXEVSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)c2ccccn2)C1 ZINC001571147732 952663371 /nfs/dbraw/zinc/66/33/71/952663371.db2.gz PFJKRTDKXQRJFJ-CHWSQXEVSA-N -1 1 379.428 1.405 20 0 GDADMM CCc1cncc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)[C@@H]2C)c1 ZINC001571147814 952664333 /nfs/dbraw/zinc/66/43/33/952664333.db2.gz QNJAYCDXNWHLTG-SMDDNHRTSA-N -1 1 379.428 1.329 20 0 GDADMM CCc1cncc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)[C@@H]2C)c1 ZINC001571147814 952664336 /nfs/dbraw/zinc/66/43/36/952664336.db2.gz QNJAYCDXNWHLTG-SMDDNHRTSA-N -1 1 379.428 1.329 20 0 GDADMM CCc1cncc(C(=O)N2CC[C@@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)c1 ZINC001571148101 952665293 /nfs/dbraw/zinc/66/52/93/952665293.db2.gz VBSAVTXLLMNKNQ-CQSZACIVSA-N -1 1 379.428 1.249 20 0 GDADMM CCc1cncc(C(=O)N2CC[C@@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)c1 ZINC001571148101 952665294 /nfs/dbraw/zinc/66/52/94/952665294.db2.gz VBSAVTXLLMNKNQ-CQSZACIVSA-N -1 1 379.428 1.249 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571148458 952667804 /nfs/dbraw/zinc/66/78/04/952667804.db2.gz ZYIJKIMJVPSHGL-ZDUSSCGKSA-N -1 1 379.428 1.184 20 0 GDADMM Cc1c[nH]nc1C(=O)N1CC[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571153617 952687161 /nfs/dbraw/zinc/68/71/61/952687161.db2.gz RZTCCLXQZPNYFF-SSDOTTSWSA-N -1 1 379.837 1.335 20 0 GDADMM Cc1c[nH]nc1C(=O)N1CC[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571153617 952687164 /nfs/dbraw/zinc/68/71/64/952687164.db2.gz RZTCCLXQZPNYFF-SSDOTTSWSA-N -1 1 379.837 1.335 20 0 GDADMM CC(C)(C(=O)N1CC[C@@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1)C(F)F ZINC001571155306 952694972 /nfs/dbraw/zinc/69/49/72/952694972.db2.gz NLMJHPWOUMNRCO-INIZCTEOSA-N -1 1 380.403 1.020 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)[C@@H]2CCN(C(=O)CC(C)(F)F)C2)n1 ZINC001571155539 952698135 /nfs/dbraw/zinc/69/81/35/952698135.db2.gz VSXSGVNXXVQBSR-WDEREUQCSA-N -1 1 380.403 1.659 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)[C@@H]2CCN(C(=O)CC(C)(F)F)C2)n1 ZINC001571155539 952698136 /nfs/dbraw/zinc/69/81/36/952698136.db2.gz VSXSGVNXXVQBSR-WDEREUQCSA-N -1 1 380.403 1.659 20 0 GDADMM Cc1cnccc1C(=O)N[C@@H]1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571156097 952701253 /nfs/dbraw/zinc/70/12/53/952701253.db2.gz CJINILPUNYVUNI-GXTWGEPZSA-N -1 1 379.428 1.371 20 0 GDADMM Cc1cnccc1C(=O)N[C@@H]1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571156097 952701257 /nfs/dbraw/zinc/70/12/57/952701257.db2.gz CJINILPUNYVUNI-GXTWGEPZSA-N -1 1 379.428 1.371 20 0 GDADMM Cc1cnc(C(=O)N2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C[C@@H]2C)cc1C ZINC001571156026 952701263 /nfs/dbraw/zinc/70/12/63/952701263.db2.gz AXIDPCBRPPGXQJ-STQMWFEESA-N -1 1 379.428 1.384 20 0 GDADMM Cc1cnc(C(=O)N2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C[C@@H]2C)cc1C ZINC001571156026 952701267 /nfs/dbraw/zinc/70/12/67/952701267.db2.gz AXIDPCBRPPGXQJ-STQMWFEESA-N -1 1 379.428 1.384 20 0 GDADMM O=C(NCc1ccc(CNc2cncc(-c3nnn[n-]3)n2)cc1)[C@@H]1CCCO1 ZINC001571161068 952730449 /nfs/dbraw/zinc/73/04/49/952730449.db2.gz PXWZETJJIJNXJZ-HNNXBMFYSA-N -1 1 380.412 1.064 20 0 GDADMM O=C(NCc1ccc(CNc2cncc(-c3nn[n-]n3)n2)cc1)[C@@H]1CCCO1 ZINC001571161068 952730452 /nfs/dbraw/zinc/73/04/52/952730452.db2.gz PXWZETJJIJNXJZ-HNNXBMFYSA-N -1 1 380.412 1.064 20 0 GDADMM Cc1coc(C(=O)NC2CC3(C2)CC(Nc2ccnc(-c4nn[n-]n4)n2)C3)c1 ZINC001571161416 952733007 /nfs/dbraw/zinc/73/30/07/952733007.db2.gz VFGYVEFXFSTCJG-UHFFFAOYSA-N -1 1 380.412 1.133 20 0 GDADMM O=C(Cc1ccco1)N1CCC[C@@H]2[C@@H]1CCN2c1nccnc1-c1nnn[n-]1 ZINC001571161599 952734047 /nfs/dbraw/zinc/73/40/47/952734047.db2.gz YBIKMNLSPBIAQN-KGLIPLIRSA-N -1 1 380.412 1.062 20 0 GDADMM O=C(Cc1ccco1)N1CCC[C@@H]2[C@@H]1CCN2c1nccnc1-c1nn[n-]n1 ZINC001571161599 952734050 /nfs/dbraw/zinc/73/40/50/952734050.db2.gz YBIKMNLSPBIAQN-KGLIPLIRSA-N -1 1 380.412 1.062 20 0 GDADMM C[C@H]1CN(C(=O)c2cnc(C3CC3)o2)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571170766 952788828 /nfs/dbraw/zinc/78/88/28/952788828.db2.gz LKHOJHBZGNJFGP-CABZTGNLSA-N -1 1 381.400 1.095 20 0 GDADMM C[C@H]1CN(C(=O)c2cnc(C3CC3)o2)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571170766 952788833 /nfs/dbraw/zinc/78/88/33/952788833.db2.gz LKHOJHBZGNJFGP-CABZTGNLSA-N -1 1 381.400 1.095 20 0 GDADMM O=C(NC1CC2(C1)CC(Nc1ccnc(-c3nn[n-]n3)n1)C2)C1CC2(CC2)C1 ZINC001571171757 952797106 /nfs/dbraw/zinc/79/71/06/952797106.db2.gz GCLPUENZLCSJHD-UHFFFAOYSA-N -1 1 380.456 1.108 20 0 GDADMM O=C(N[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2)C1(C2CC2)CC1 ZINC001571171845 952798232 /nfs/dbraw/zinc/79/82/32/952798232.db2.gz GRQFHUOXUOADNI-UONOGXRCSA-N -1 1 380.456 1.686 20 0 GDADMM O=C(N[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2)C1(C2CC2)CC1 ZINC001571171845 952798238 /nfs/dbraw/zinc/79/82/38/952798238.db2.gz GRQFHUOXUOADNI-UONOGXRCSA-N -1 1 380.456 1.686 20 0 GDADMM O=C(NC1CC2(C1)CC(Nc1ccc(-c3nnn[n-]3)nn1)C2)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001571172335 952805376 /nfs/dbraw/zinc/80/53/76/952805376.db2.gz SSQKQBNHNABKKN-SNIRERIRSA-N -1 1 380.456 1.542 20 0 GDADMM O=C(NC1CC2(C1)CC(Nc1ccc(-c3nn[n-]n3)nn1)C2)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001571172335 952805383 /nfs/dbraw/zinc/80/53/83/952805383.db2.gz SSQKQBNHNABKKN-SNIRERIRSA-N -1 1 380.456 1.542 20 0 GDADMM CC(C)n1cccc1C(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571183903 952884053 /nfs/dbraw/zinc/88/40/53/952884053.db2.gz MLLGVRIKORHJPG-CYBMUJFWSA-N -1 1 381.444 1.756 20 0 GDADMM CC(C)n1cccc1C(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571183903 952884055 /nfs/dbraw/zinc/88/40/55/952884055.db2.gz MLLGVRIKORHJPG-CYBMUJFWSA-N -1 1 381.444 1.756 20 0 GDADMM CCCc1[nH]ccc1C(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571183972 952885455 /nfs/dbraw/zinc/88/54/55/952885455.db2.gz NUQCDHPZDXSFKT-LBPRGKRZSA-N -1 1 381.444 1.512 20 0 GDADMM CCCc1[nH]ccc1C(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571183972 952885461 /nfs/dbraw/zinc/88/54/61/952885461.db2.gz NUQCDHPZDXSFKT-LBPRGKRZSA-N -1 1 381.444 1.512 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N(C)C[C@H]2CCN(C(=O)c3ccc[nH]3)C2)n1 ZINC001571184013 952886824 /nfs/dbraw/zinc/88/68/24/952886824.db2.gz ONZHZBYFURQJRC-GFCCVEGCSA-N -1 1 381.444 1.146 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N(C)C[C@H]2CCN(C(=O)c3ccc[nH]3)C2)n1 ZINC001571184013 952886826 /nfs/dbraw/zinc/88/68/26/952886826.db2.gz ONZHZBYFURQJRC-GFCCVEGCSA-N -1 1 381.444 1.146 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccn(C)c2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571184456 952894108 /nfs/dbraw/zinc/89/41/08/952894108.db2.gz ZOWQFBCKRZPFLW-OCCSQVGLSA-N -1 1 381.444 1.206 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccn(C)c2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571184456 952894113 /nfs/dbraw/zinc/89/41/13/952894113.db2.gz ZOWQFBCKRZPFLW-OCCSQVGLSA-N -1 1 381.444 1.206 20 0 GDADMM Cc1c(C(=O)N[C@@H]2CC[C@H](C)N(c3ccnc(-c4nn[n-]n4)n3)C2)ccn1C ZINC001571184636 952895535 /nfs/dbraw/zinc/89/55/35/952895535.db2.gz BZODGWOCPUSYLM-WCQYABFASA-N -1 1 381.444 1.091 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CC[C@@H](C)[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571184570 952895849 /nfs/dbraw/zinc/89/58/49/952895849.db2.gz AJKVWIFPIYZKPV-DGCLKSJQSA-N -1 1 381.444 1.504 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CC[C@@H](C)[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571184570 952895854 /nfs/dbraw/zinc/89/58/54/952895854.db2.gz AJKVWIFPIYZKPV-DGCLKSJQSA-N -1 1 381.444 1.504 20 0 GDADMM CCn1cccc1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001571185013 952899031 /nfs/dbraw/zinc/89/90/31/952899031.db2.gz GSFXHGSKYCEWMH-QWHCGFSZSA-N -1 1 381.444 1.265 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CCC[C@H](C)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571185252 952901350 /nfs/dbraw/zinc/90/13/50/952901350.db2.gz JZFVBCKKDWZRRK-SMDDNHRTSA-N -1 1 381.444 1.646 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CCC[C@H](C)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571185252 952901353 /nfs/dbraw/zinc/90/13/53/952901353.db2.gz JZFVBCKKDWZRRK-SMDDNHRTSA-N -1 1 381.444 1.646 20 0 GDADMM CCn1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1C ZINC001571185817 952904135 /nfs/dbraw/zinc/90/41/35/952904135.db2.gz QETQTOGKERAZOL-IAQYHMDHSA-N -1 1 381.444 1.359 20 0 GDADMM CCn1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1C ZINC001571185817 952904139 /nfs/dbraw/zinc/90/41/39/952904139.db2.gz QETQTOGKERAZOL-IAQYHMDHSA-N -1 1 381.444 1.359 20 0 GDADMM CCn1ccc(C(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H](C)C2)c1C ZINC001571185818 952904173 /nfs/dbraw/zinc/90/41/73/952904173.db2.gz QETQTOGKERAZOL-NHYWBVRUSA-N -1 1 381.444 1.359 20 0 GDADMM CCn1ccc(C(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H](C)C2)c1C ZINC001571185818 952904177 /nfs/dbraw/zinc/90/41/77/952904177.db2.gz QETQTOGKERAZOL-NHYWBVRUSA-N -1 1 381.444 1.359 20 0 GDADMM Cc1c[nH]cc1C(=O)N[C@H]1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571185841 952904482 /nfs/dbraw/zinc/90/44/82/952904482.db2.gz QOARDKSVYLYOEE-OCCSQVGLSA-N -1 1 381.444 1.694 20 0 GDADMM Cc1c[nH]cc1C(=O)N[C@H]1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571185841 952904485 /nfs/dbraw/zinc/90/44/85/952904485.db2.gz QOARDKSVYLYOEE-OCCSQVGLSA-N -1 1 381.444 1.694 20 0 GDADMM Cc1cc(C)c(C(=O)N2CCC[C@@H]2CNc2nc(C)cc(-c3nnn[n-]3)n2)[nH]1 ZINC001571186646 952907742 /nfs/dbraw/zinc/90/77/42/952907742.db2.gz ZFSCMMODFIFLSB-CYBMUJFWSA-N -1 1 381.444 1.627 20 0 GDADMM Cc1cc(C)c(C(=O)N2CCC[C@@H]2CNc2nc(C)cc(-c3nn[n-]n3)n2)[nH]1 ZINC001571186646 952907746 /nfs/dbraw/zinc/90/77/46/952907746.db2.gz ZFSCMMODFIFLSB-CYBMUJFWSA-N -1 1 381.444 1.627 20 0 GDADMM O=C(CC(F)(F)F)N1CCC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001571193956 952956072 /nfs/dbraw/zinc/95/60/72/952956072.db2.gz BVFVWMIUPOMDAQ-GXSJLCMTSA-N -1 1 382.350 1.036 20 0 GDADMM O=C(CC(F)(F)F)N1CCC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571193956 952956077 /nfs/dbraw/zinc/95/60/77/952956077.db2.gz BVFVWMIUPOMDAQ-GXSJLCMTSA-N -1 1 382.350 1.036 20 0 GDADMM Cc1ccc(F)c(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@@H]2C)c1 ZINC001571196034 952979479 /nfs/dbraw/zinc/97/94/79/952979479.db2.gz GUVSZJRVGFQXDG-SMDDNHRTSA-N -1 1 382.403 1.241 20 0 GDADMM O=C(c1ccc([O-])cc1F)N1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571197092 952986204 /nfs/dbraw/zinc/98/62/04/952986204.db2.gz RLOFOFPZVVOGPK-UHFFFAOYSA-N -1 1 382.399 1.669 20 0 GDADMM Cc1cc(F)cc(C(=O)N2CCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)c1 ZINC001571197151 952986898 /nfs/dbraw/zinc/98/68/98/952986898.db2.gz STYJCTYWSQKUMK-CQSZACIVSA-N -1 1 382.403 1.821 20 0 GDADMM Cc1cc(F)cc(C(=O)N2CCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)c1 ZINC001571197151 952986902 /nfs/dbraw/zinc/98/69/02/952986902.db2.gz STYJCTYWSQKUMK-CQSZACIVSA-N -1 1 382.403 1.821 20 0 GDADMM O=C([C@H](F)c1ccccc1)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571197168 952987557 /nfs/dbraw/zinc/98/75/57/952987557.db2.gz TUVUDWSKXJHPHZ-UKRRQHHQSA-N -1 1 382.403 1.192 20 0 GDADMM O=C([C@@H](F)c1ccccc1)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571197215 952987579 /nfs/dbraw/zinc/98/75/79/952987579.db2.gz ULMREASZGQUCNT-LRDDRELGSA-N -1 1 382.403 1.628 20 0 GDADMM O=C([C@@H](F)c1ccccc1)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571197215 952987581 /nfs/dbraw/zinc/98/75/81/952987581.db2.gz ULMREASZGQUCNT-LRDDRELGSA-N -1 1 382.403 1.628 20 0 GDADMM CCc1occc1C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571198993 952995797 /nfs/dbraw/zinc/99/57/97/952995797.db2.gz JSONHIRCQVIHAD-LBPRGKRZSA-N -1 1 382.428 1.601 20 0 GDADMM CCc1occc1C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571198993 952995804 /nfs/dbraw/zinc/99/58/04/952995804.db2.gz JSONHIRCQVIHAD-LBPRGKRZSA-N -1 1 382.428 1.601 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)[C@H](F)c1ccccc1 ZINC001571199771 953004455 /nfs/dbraw/zinc/00/44/55/953004455.db2.gz BPTISMBDWNPOEI-DZGCQCFKSA-N -1 1 382.403 1.453 20 0 GDADMM O=C(N[C@H]1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1)c1cccc(F)c1 ZINC001571200327 953008752 /nfs/dbraw/zinc/00/87/52/953008752.db2.gz HTVLKOJWXGLUAI-JSGCOSHPSA-N -1 1 382.403 1.806 20 0 GDADMM O=C(N[C@H]1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1)c1cccc(F)c1 ZINC001571200327 953008755 /nfs/dbraw/zinc/00/87/55/953008755.db2.gz HTVLKOJWXGLUAI-JSGCOSHPSA-N -1 1 382.403 1.806 20 0 GDADMM C[C@H]1CCCN(C(=O)Cc2ccco2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571201138 953014976 /nfs/dbraw/zinc/01/49/76/953014976.db2.gz NOGUOOLHFUUTJE-SWLSCSKDSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@H]1CCCN(C(=O)Cc2ccco2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571201138 953014979 /nfs/dbraw/zinc/01/49/79/953014979.db2.gz NOGUOOLHFUUTJE-SWLSCSKDSA-N -1 1 382.428 1.531 20 0 GDADMM O=C(NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1)c1ccc(CF)cc1 ZINC001571201591 953018413 /nfs/dbraw/zinc/01/84/13/953018413.db2.gz RZMQJSCXJNMPHH-UHFFFAOYSA-N -1 1 382.403 1.169 20 0 GDADMM Cc1ccoc1CC(=O)N[C@H]1CC[C@H](C)N(c2nccnc2-c2nnn[n-]2)C1 ZINC001571201860 953021223 /nfs/dbraw/zinc/02/12/23/953021223.db2.gz ORFOXWYQQRJDDI-STQMWFEESA-N -1 1 382.428 1.274 20 0 GDADMM Cc1ccoc1CC(=O)N[C@H]1CC[C@H](C)N(c2nccnc2-c2nn[n-]n2)C1 ZINC001571201860 953021227 /nfs/dbraw/zinc/02/12/27/953021227.db2.gz ORFOXWYQQRJDDI-STQMWFEESA-N -1 1 382.428 1.274 20 0 GDADMM CC1(C)CN(c2ccc(-c3nnn[n-]3)nn2)CC[C@H]1NC(=O)Cc1ccco1 ZINC001571202505 953026564 /nfs/dbraw/zinc/02/65/64/953026564.db2.gz ZJOZRALPIOHZLR-CQSZACIVSA-N -1 1 382.428 1.214 20 0 GDADMM CC1(C)CN(c2ccc(-c3nn[n-]n3)nn2)CC[C@H]1NC(=O)Cc1ccco1 ZINC001571202505 953026567 /nfs/dbraw/zinc/02/65/67/953026567.db2.gz ZJOZRALPIOHZLR-CQSZACIVSA-N -1 1 382.428 1.214 20 0 GDADMM Cc1cc(C(=O)N[C@H](C)[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)co1 ZINC001571202564 953026781 /nfs/dbraw/zinc/02/67/81/953026781.db2.gz VCZYLMZSAQHEEQ-OLZOCXBDSA-N -1 1 382.428 1.593 20 0 GDADMM Cc1cc(C(=O)N[C@H](C)[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)co1 ZINC001571202564 953026784 /nfs/dbraw/zinc/02/67/84/953026784.db2.gz VCZYLMZSAQHEEQ-OLZOCXBDSA-N -1 1 382.428 1.593 20 0 GDADMM CC(C)n1ccc(C(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)[C@H]2C)n1 ZINC001571205895 953043932 /nfs/dbraw/zinc/04/39/32/953043932.db2.gz NUTYKVOKHPAREH-NEPJUHHUSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1ccc(C(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)[C@H]2C)n1 ZINC001571205895 953043935 /nfs/dbraw/zinc/04/39/35/953043935.db2.gz NUTYKVOKHPAREH-NEPJUHHUSA-N -1 1 382.432 1.149 20 0 GDADMM Cc1oc(C(C)C)cc1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571206241 953049505 /nfs/dbraw/zinc/04/95/05/953049505.db2.gz NIEUMBSGHNJHNR-LBPRGKRZSA-N -1 1 382.428 1.690 20 0 GDADMM Cc1oc(C(C)C)cc1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571206241 953049509 /nfs/dbraw/zinc/04/95/09/953049509.db2.gz NIEUMBSGHNJHNR-LBPRGKRZSA-N -1 1 382.428 1.690 20 0 GDADMM Cc1c[nH]c(C(=O)N(C)C2CCC(Nc3cnc(-c4nnn[n-]4)cn3)CC2)n1 ZINC001571206527 953052239 /nfs/dbraw/zinc/05/22/39/953052239.db2.gz HUZBOEFHVCYVLO-UHFFFAOYSA-N -1 1 382.432 1.184 20 0 GDADMM Cc1c[nH]c(C(=O)N(C)C2CCC(Nc3cnc(-c4nn[n-]n4)cn3)CC2)n1 ZINC001571206527 953052240 /nfs/dbraw/zinc/05/22/40/953052240.db2.gz HUZBOEFHVCYVLO-UHFFFAOYSA-N -1 1 382.432 1.184 20 0 GDADMM Cc1nc(C(=O)N2CCCC[C@@H]2CNc2nc(C)cc(-c3nn[n-]n3)n2)c[nH]1 ZINC001571207591 953064653 /nfs/dbraw/zinc/06/46/53/953064653.db2.gz XMLSYSSHKDKPJH-GFCCVEGCSA-N -1 1 382.432 1.103 20 0 GDADMM C[C@H]1CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)CC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571211521 953077165 /nfs/dbraw/zinc/07/71/65/953077165.db2.gz AKNJXRXBFMNJFN-XPABHHOTSA-N -1 1 382.472 1.599 20 0 GDADMM C[C@H]1CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)CC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571211521 953077168 /nfs/dbraw/zinc/07/71/68/953077168.db2.gz AKNJXRXBFMNJFN-XPABHHOTSA-N -1 1 382.472 1.599 20 0 GDADMM CN(C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571211780 953080260 /nfs/dbraw/zinc/08/02/60/953080260.db2.gz GHFVGCADZUFCCR-MGPQQGTHSA-N -1 1 382.472 1.520 20 0 GDADMM CN(C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571211780 953080262 /nfs/dbraw/zinc/08/02/62/953080262.db2.gz GHFVGCADZUFCCR-MGPQQGTHSA-N -1 1 382.472 1.520 20 0 GDADMM CC1(C(=O)N2CCC[C@@H]([C@@H]3CCN(c4cncc(-c5nnn[n-]5)n4)C3)C2)CC1 ZINC001571211769 953080783 /nfs/dbraw/zinc/08/07/83/953080783.db2.gz FQPRREFJIAAQHN-ZIAGYGMSSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C(=O)N2CCC[C@@H]([C@@H]3CCN(c4cncc(-c5nn[n-]n5)n4)C3)C2)CC1 ZINC001571211769 953080785 /nfs/dbraw/zinc/08/07/85/953080785.db2.gz FQPRREFJIAAQHN-ZIAGYGMSSA-N -1 1 382.472 1.522 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)C3=CCCC3)[C@H]2CC)n1 ZINC001571211718 953080807 /nfs/dbraw/zinc/08/08/07/953080807.db2.gz DEJMMJHPMDAYQH-DZGCQCFKSA-N -1 1 382.472 1.803 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)C3=CCCC3)[C@H]2CC)n1 ZINC001571211718 953080809 /nfs/dbraw/zinc/08/08/09/953080809.db2.gz DEJMMJHPMDAYQH-DZGCQCFKSA-N -1 1 382.472 1.803 20 0 GDADMM CC1(C(=O)N2C[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@@]3(C)C2)CCCC1 ZINC001571214426 953101677 /nfs/dbraw/zinc/10/16/77/953101677.db2.gz YNSZFLWFMRKROJ-YJYMSZOUSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C(=O)N2C[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@@]3(C)C2)CCCC1 ZINC001571214426 953101678 /nfs/dbraw/zinc/10/16/78/953101678.db2.gz YNSZFLWFMRKROJ-YJYMSZOUSA-N -1 1 382.472 1.522 20 0 GDADMM O=C(COc1ccccc1OCC(F)(F)F)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001571217230 953106308 /nfs/dbraw/zinc/10/63/08/953106308.db2.gz CSKLYYLLILRDQO-UHFFFAOYSA-N -1 1 383.290 1.548 20 0 GDADMM O=C(N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)[C@@H]1CCCC12CC2 ZINC001571217264 953106569 /nfs/dbraw/zinc/10/65/69/953106569.db2.gz DFZRAZQAEQMHMK-KBPBESRZSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)[C@@H]1CCCC12CC2 ZINC001571217264 953106571 /nfs/dbraw/zinc/10/65/71/953106571.db2.gz DFZRAZQAEQMHMK-KBPBESRZSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(CC1CCCC1)N[C@@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571217291 953107058 /nfs/dbraw/zinc/10/70/58/953107058.db2.gz DUHVUOPZDXEWRP-OAHLLOKOSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(CC1CCCC1)N[C@@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001571217291 953107064 /nfs/dbraw/zinc/10/70/64/953107064.db2.gz DUHVUOPZDXEWRP-OAHLLOKOSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)C1CCC2(CC2)CC1 ZINC001571217317 953107561 /nfs/dbraw/zinc/10/75/61/953107561.db2.gz FKWUAHVEVHCQRN-XBXGTLAGSA-N -1 1 382.472 1.934 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)C1CCC2(CC2)CC1 ZINC001571217317 953107564 /nfs/dbraw/zinc/10/75/64/953107564.db2.gz FKWUAHVEVHCQRN-XBXGTLAGSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@@]1(CNc2nccnc2-c2nnn[n-]2)CCN(C(=O)c2ncccc2F)C1 ZINC001571217421 953108646 /nfs/dbraw/zinc/10/86/46/953108646.db2.gz LPZUDUOAZNOFBT-KRWDZBQOSA-N -1 1 383.391 1.155 20 0 GDADMM C[C@@]1(CNc2nccnc2-c2nn[n-]n2)CCN(C(=O)c2ncccc2F)C1 ZINC001571217421 953108650 /nfs/dbraw/zinc/10/86/50/953108650.db2.gz LPZUDUOAZNOFBT-KRWDZBQOSA-N -1 1 383.391 1.155 20 0 GDADMM O=C([C@@H]1CC12CCCC2)N1CC[C@@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001571218407 953115373 /nfs/dbraw/zinc/11/53/73/953115373.db2.gz MUJARAGZKXCOPG-KGLIPLIRSA-N -1 1 382.472 1.888 20 0 GDADMM O=C([C@@H]1CC12CCCC2)N1CC[C@@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001571218407 953115377 /nfs/dbraw/zinc/11/53/77/953115377.db2.gz MUJARAGZKXCOPG-KGLIPLIRSA-N -1 1 382.472 1.888 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(F)cn2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571218828 953119885 /nfs/dbraw/zinc/11/98/85/953119885.db2.gz FFIUAXORCHXRDU-GHMZBOCLSA-N -1 1 383.391 1.011 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(F)cn2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571218828 953119887 /nfs/dbraw/zinc/11/98/87/953119887.db2.gz FFIUAXORCHXRDU-GHMZBOCLSA-N -1 1 383.391 1.011 20 0 GDADMM O=C(CCC1CCC1)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571218939 953120939 /nfs/dbraw/zinc/12/09/39/953120939.db2.gz SROLUWDXPRMINI-CVEARBPZSA-N -1 1 382.472 1.807 20 0 GDADMM O=C(CCC1CCC1)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571218939 953120941 /nfs/dbraw/zinc/12/09/41/953120941.db2.gz SROLUWDXPRMINI-CVEARBPZSA-N -1 1 382.472 1.807 20 0 GDADMM CCN(CC1CCN(C(=O)c2cocn2)CC1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571222216 953132594 /nfs/dbraw/zinc/13/25/94/953132594.db2.gz FWNDJUDBODQKIH-UHFFFAOYSA-N -1 1 383.416 1.023 20 0 GDADMM CCN(CC1CCN(C(=O)c2cocn2)CC1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571222216 953132596 /nfs/dbraw/zinc/13/25/96/953132596.db2.gz FWNDJUDBODQKIH-UHFFFAOYSA-N -1 1 383.416 1.023 20 0 GDADMM CC(C)c1ocnc1C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571222332 953133077 /nfs/dbraw/zinc/13/30/77/953133077.db2.gz GMFJHJWGYUOTMW-LLVKDONJSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1ocnc1C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571222332 953133081 /nfs/dbraw/zinc/13/30/81/953133081.db2.gz GMFJHJWGYUOTMW-LLVKDONJSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1cc(C(=O)NC2CC(CNc3cnc(-c4nnn[n-]4)cn3)C2)no1 ZINC001571222521 953135520 /nfs/dbraw/zinc/13/55/20/953135520.db2.gz IDKPWWHAGFTRSI-UHFFFAOYSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1cc(C(=O)NC2CC(CNc3cnc(-c4nn[n-]n4)cn3)C2)no1 ZINC001571222521 953135525 /nfs/dbraw/zinc/13/55/25/953135525.db2.gz IDKPWWHAGFTRSI-UHFFFAOYSA-N -1 1 383.416 1.389 20 0 GDADMM CCC1(Nc2nc(C)cc(-c3nnn[n-]3)n2)CCN(C(=O)c2ccon2)CC1 ZINC001571223140 953141692 /nfs/dbraw/zinc/14/16/92/953141692.db2.gz OHGSQCAGULEQCF-UHFFFAOYSA-N -1 1 383.416 1.450 20 0 GDADMM CCC1(Nc2nc(C)cc(-c3nn[n-]n3)n2)CCN(C(=O)c2ccon2)CC1 ZINC001571223140 953141695 /nfs/dbraw/zinc/14/16/95/953141695.db2.gz OHGSQCAGULEQCF-UHFFFAOYSA-N -1 1 383.416 1.450 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCC[C@H](NC(=O)Cc3cnoc3)C2)n1 ZINC001571225213 953152282 /nfs/dbraw/zinc/15/22/82/953152282.db2.gz IQFLWNKRLXWKAD-STQMWFEESA-N -1 1 383.416 1.035 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCC[C@H](NC(=O)Cc3cnoc3)C2)n1 ZINC001571225213 953152283 /nfs/dbraw/zinc/15/22/83/953152283.db2.gz IQFLWNKRLXWKAD-STQMWFEESA-N -1 1 383.416 1.035 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)c3ncoc3C(C)C)C2)n1 ZINC001571226486 953156310 /nfs/dbraw/zinc/15/63/10/953156310.db2.gz SBTGINKNFXYZHK-NSHDSACASA-N -1 1 383.416 1.085 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)c3ncoc3C(C)C)C2)n1 ZINC001571226486 953156314 /nfs/dbraw/zinc/15/63/14/953156314.db2.gz SBTGINKNFXYZHK-NSHDSACASA-N -1 1 383.416 1.085 20 0 GDADMM Cc1nsc(N2CCC(C)(NC(=O)[C@H]3CC3(F)F)CC2)c1-c1nn[n-]n1 ZINC001571230644 953179098 /nfs/dbraw/zinc/17/90/98/953179098.db2.gz ZHHQCBNOYKXJKC-SECBINFHSA-N -1 1 383.428 1.762 20 0 GDADMM COCC(=O)N1CC[C@@H]2[C@H](CCN2c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571235041 953207896 /nfs/dbraw/zinc/20/78/96/953207896.db2.gz QUZWISPSHMNWNF-RKDXNWHRSA-N -1 1 383.865 1.050 20 0 GDADMM COCC(=O)N1CC[C@@H]2[C@H](CCN2c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571235041 953207900 /nfs/dbraw/zinc/20/79/00/953207900.db2.gz QUZWISPSHMNWNF-RKDXNWHRSA-N -1 1 383.865 1.050 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001571235131 953209475 /nfs/dbraw/zinc/20/94/75/953209475.db2.gz UOVLYAAAKCSWMG-VHSXEESVSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001571235131 953209478 /nfs/dbraw/zinc/20/94/78/953209478.db2.gz UOVLYAAAKCSWMG-VHSXEESVSA-N -1 1 384.366 1.282 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1)[C@@H]1CCCO1 ZINC001571235214 953210603 /nfs/dbraw/zinc/21/06/03/953210603.db2.gz XIECESIGFXIZJY-YIZRAAEISA-N -1 1 383.865 1.462 20 0 GDADMM Cc1ccc(CC(=O)N2C[C@@H](C)[C@H](Nc3nccnc3-c3nnn[n-]3)C2)s1 ZINC001571244557 953265180 /nfs/dbraw/zinc/26/51/80/953265180.db2.gz APSDDDUMLLRMGW-ZWNOBZJWSA-N -1 1 384.469 1.528 20 0 GDADMM Cc1ccc(CC(=O)N2C[C@@H](C)[C@H](Nc3nccnc3-c3nn[n-]n3)C2)s1 ZINC001571244557 953265182 /nfs/dbraw/zinc/26/51/82/953265182.db2.gz APSDDDUMLLRMGW-ZWNOBZJWSA-N -1 1 384.469 1.528 20 0 GDADMM Cc1ccc(CC(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)s1 ZINC001571244670 953265618 /nfs/dbraw/zinc/26/56/18/953265618.db2.gz DIZYBCOONHBJFL-LBPRGKRZSA-N -1 1 384.469 1.354 20 0 GDADMM Cc1ccc(CC(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)s1 ZINC001571244670 953265620 /nfs/dbraw/zinc/26/56/20/953265620.db2.gz DIZYBCOONHBJFL-LBPRGKRZSA-N -1 1 384.469 1.354 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)Cc2ccsc2)C1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571244769 953266726 /nfs/dbraw/zinc/26/67/26/953266726.db2.gz HUPOYJTWLMNURN-ZDUSSCGKSA-N -1 1 384.469 1.246 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)Cc2ccsc2)C1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571244769 953266729 /nfs/dbraw/zinc/26/67/29/953266729.db2.gz HUPOYJTWLMNURN-ZDUSSCGKSA-N -1 1 384.469 1.246 20 0 GDADMM Cc1cscc1C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C ZINC001571244804 953267338 /nfs/dbraw/zinc/26/73/38/953267338.db2.gz JJHWDWQKNJMAKN-DGCLKSJQSA-N -1 1 384.469 1.814 20 0 GDADMM Cc1cscc1C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C ZINC001571244804 953267340 /nfs/dbraw/zinc/26/73/40/953267340.db2.gz JJHWDWQKNJMAKN-DGCLKSJQSA-N -1 1 384.469 1.814 20 0 GDADMM CCc1ccnc(C(=O)N[C@H]2CCN(c3snc(C)c3-c3nn[n-]n3)C2)c1 ZINC001571244861 953267809 /nfs/dbraw/zinc/26/78/09/953267809.db2.gz KPXFFOVNVVAPDD-LBPRGKRZSA-N -1 1 384.469 1.598 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)c2sccc2C)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571245136 953270762 /nfs/dbraw/zinc/27/07/62/953270762.db2.gz OMJWJNZSEFMUOB-WCQYABFASA-N -1 1 384.469 1.814 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)c2sccc2C)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571245136 953270765 /nfs/dbraw/zinc/27/07/65/953270765.db2.gz OMJWJNZSEFMUOB-WCQYABFASA-N -1 1 384.469 1.814 20 0 GDADMM Cc1nsc(N[C@H]2CCN(C(=O)c3cc(C)cc(C)n3)C2)c1-c1nn[n-]n1 ZINC001571245226 953271453 /nfs/dbraw/zinc/27/14/53/953271453.db2.gz PPKSYGGJZZGHSS-LBPRGKRZSA-N -1 1 384.469 1.970 20 0 GDADMM Cc1cc(C)c(C(=O)NC[C@@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)s1 ZINC001571245232 953271607 /nfs/dbraw/zinc/27/16/07/953271607.db2.gz PVQFXQKMJMFHNG-LBPRGKRZSA-N -1 1 384.469 1.734 20 0 GDADMM C[C@H](C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)c1ccsc1 ZINC001571246143 953279898 /nfs/dbraw/zinc/27/98/98/953279898.db2.gz UXHXPPSGBUEHLF-NSHDSACASA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)c1ccsc1 ZINC001571246143 953279903 /nfs/dbraw/zinc/27/99/03/953279903.db2.gz UXHXPPSGBUEHLF-NSHDSACASA-N -1 1 384.469 1.607 20 0 GDADMM CC(C)C(C)(C)C(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@@]2(C)C1 ZINC001571249174 953301165 /nfs/dbraw/zinc/30/11/65/953301165.db2.gz FIWRGVZXZHMPLT-YJYMSZOUSA-N -1 1 384.488 1.624 20 0 GDADMM CC(C)C(C)(C)C(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@@]2(C)C1 ZINC001571249174 953301168 /nfs/dbraw/zinc/30/11/68/953301168.db2.gz FIWRGVZXZHMPLT-YJYMSZOUSA-N -1 1 384.488 1.624 20 0 GDADMM CC[C@@H](CC1CCCC1)C(=O)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571249720 953307215 /nfs/dbraw/zinc/30/72/15/953307215.db2.gz KWTSAAQHUUIGHR-HNNXBMFYSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CC2CC(C)(C)C2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571251177 953315709 /nfs/dbraw/zinc/31/57/09/953315709.db2.gz WSRPYMHQEADPDE-JSGCOSHPSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CC2CC(C)(C)C2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571251177 953315715 /nfs/dbraw/zinc/31/57/15/953315715.db2.gz WSRPYMHQEADPDE-JSGCOSHPSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1NC(=O)C1(C)CCC(C)CC1 ZINC001571251160 953315792 /nfs/dbraw/zinc/31/57/92/953315792.db2.gz WMDJRYNVMPGEIA-GHGJTTARSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1NC(=O)C1(C)CCC(C)CC1 ZINC001571251160 953315798 /nfs/dbraw/zinc/31/57/98/953315798.db2.gz WMDJRYNVMPGEIA-GHGJTTARSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)(C)C1)C1CCCC1 ZINC001571251563 953318522 /nfs/dbraw/zinc/31/85/22/953318522.db2.gz ZOICVTSMIUAJAQ-GXTWGEPZSA-N -1 1 384.488 1.554 20 0 GDADMM C[C@@H]1CCN(C(=O)CCC2CCC2)[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571252049 953322500 /nfs/dbraw/zinc/32/25/00/953322500.db2.gz GFLMPCSWHNPMDT-HIFRSBDPSA-N -1 1 384.488 1.698 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@H]2CCN(C(=O)CC(C)(C)C3CC3)C2)n1 ZINC001571252068 953323133 /nfs/dbraw/zinc/32/31/33/953323133.db2.gz GOCZCFYEHJLTJJ-AWEZNQCLSA-N -1 1 384.488 1.829 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@H]2CCN(C(=O)CC(C)(C)C3CC3)C2)n1 ZINC001571252068 953323138 /nfs/dbraw/zinc/32/31/38/953323138.db2.gz GOCZCFYEHJLTJJ-AWEZNQCLSA-N -1 1 384.488 1.829 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)[C@H]2CCCC2(C)C)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571252420 953328094 /nfs/dbraw/zinc/32/80/94/953328094.db2.gz MGPBIINSKWHLSZ-UONOGXRCSA-N -1 1 384.488 1.768 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H]3CCN(C(=O)CC(C)(C)C)[C@@H]3C2)n1 ZINC001571252880 953333783 /nfs/dbraw/zinc/33/37/83/953333783.db2.gz XWRFPSUXRFOZPP-GXTWGEPZSA-N -1 1 384.488 1.692 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H]3CCN(C(=O)CC(C)(C)C)[C@@H]3C2)n1 ZINC001571252880 953333785 /nfs/dbraw/zinc/33/37/85/953333785.db2.gz XWRFPSUXRFOZPP-GXTWGEPZSA-N -1 1 384.488 1.692 20 0 GDADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@@H]1CCN(C(=O)c2ccccc2Cl)C1 ZINC001571256345 953370545 /nfs/dbraw/zinc/37/05/45/953370545.db2.gz VLASTEWTBRIJLA-LLVKDONJSA-N -1 1 384.831 1.661 20 0 GDADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)c2ccccc2Cl)C1 ZINC001571256345 953370556 /nfs/dbraw/zinc/37/05/56/953370556.db2.gz VLASTEWTBRIJLA-LLVKDONJSA-N -1 1 384.831 1.661 20 0 GDADMM Cc1nc(C(=O)N2CCC[C@H](C)[C@H]2C(=O)[O-])nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000424252711 953437164 /nfs/dbraw/zinc/43/71/64/953437164.db2.gz KFIFQNOUFLDMPG-XPUUQOCRSA-N -1 1 387.322 1.038 20 0 GDADMM 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CCOC(=O)CC[C@H](C)[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000287768178 532240164 /nfs/dbraw/zinc/24/01/64/532240164.db2.gz JPDGTCYXWSATBR-QMMMGPOBSA-N -1 1 382.280 1.501 20 0 GDADMM Cc1nc(S(=O)(=O)[N-][C@@H](C)c2nnc(C(C)C)[nH]2)c(Br)n1C ZINC000287830311 532244116 /nfs/dbraw/zinc/24/41/16/532244116.db2.gz NOHQZZGYDUFALR-ZETCQYMHSA-N -1 1 391.295 1.772 20 0 GDADMM Cc1cc(Br)c(S(=O)(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])s1 ZINC000274965811 532247381 /nfs/dbraw/zinc/24/73/81/532247381.db2.gz VOBMIUSLAMRCSC-SECBINFHSA-N -1 1 394.272 1.516 20 0 GDADMM CS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)F)cn1 ZINC000431636166 532271863 /nfs/dbraw/zinc/27/18/63/532271863.db2.gz UPECGAQVTRYOOQ-ZDUSSCGKSA-N -1 1 376.406 1.770 20 0 GDADMM O=C([O-])[C@@H](CN1CCCCC1)NS(=O)(=O)c1ccc(Br)cn1 ZINC000275032182 532255525 /nfs/dbraw/zinc/25/55/25/532255525.db2.gz UJGBIGVSRWLCST-LLVKDONJSA-N -1 1 392.275 1.062 20 0 GDADMM Cc1nc(S(=O)(=O)[N-]C[C@@H]2CSCCS2)c(Br)n1C ZINC000288263945 532277327 /nfs/dbraw/zinc/27/73/27/532277327.db2.gz UFIPNTMNGXCPJN-MRVPVSSYSA-N -1 1 386.362 1.618 20 0 GDADMM O=S(=O)([N-]CC(F)F)c1ccccc1S(=O)(=O)N1CC[C@H]1C1CC1 ZINC000349443620 532283988 /nfs/dbraw/zinc/28/39/88/532283988.db2.gz AYKWSZJIEUQZHK-NSHDSACASA-N -1 1 380.438 1.403 20 0 GDADMM O=S(=O)(CCCS(=O)(=O)N1CCCO1)[N-]c1cc2c(cn1)CCCC2 ZINC000349455836 532288718 /nfs/dbraw/zinc/28/87/18/532288718.db2.gz CXUXNRDKKZCJAR-UHFFFAOYSA-N -1 1 389.499 1.059 20 0 GDADMM COc1ccc(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)c(Cl)c1Cl ZINC000275372969 532291568 /nfs/dbraw/zinc/29/15/68/532291568.db2.gz WOALJEAUESBAAJ-UHFFFAOYSA-N -1 1 397.280 1.783 20 0 GDADMM O=S(=O)([N-]CC(F)F)c1ccccc1S(=O)(=O)N1CCC=C(F)C1 ZINC000349458946 532291663 /nfs/dbraw/zinc/29/16/63/532291663.db2.gz UCHMVEVEDFZWDJ-UHFFFAOYSA-N -1 1 384.401 1.478 20 0 GDADMM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1cc(Br)cn(C)c1=O ZINC000288489547 532292662 /nfs/dbraw/zinc/29/26/62/532292662.db2.gz LUYJOLIOGLNCPW-UHFFFAOYSA-N -1 1 381.248 1.089 20 0 GDADMM Cc1nc(S(=O)(=O)[N-]C[C@H]2COc3ccccc32)c(Br)n1C ZINC000288510048 532294156 /nfs/dbraw/zinc/29/41/56/532294156.db2.gz YADRTLNXIKYVBH-JTQLQIEISA-N -1 1 386.271 1.946 20 0 GDADMM CS(=O)(=O)c1cc(S(=O)(=O)[N-]CC(F)(F)Br)ccc1F ZINC000288598516 532298823 /nfs/dbraw/zinc/29/88/23/532298823.db2.gz NTKHDVRAOIRALH-UHFFFAOYSA-N -1 1 396.206 1.495 20 0 GDADMM C[C@@H](C[S@](C)=O)N(C)C(=O)c1ccc(I)c([O-])c1 ZINC000399957531 532304149 /nfs/dbraw/zinc/30/41/49/532304149.db2.gz WOLBLXNUDXSNHV-ASCAZGACSA-N -1 1 381.235 1.836 20 0 GDADMM CCc1nnc(C[N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)OC)c2)s1 ZINC000289662880 532330430 /nfs/dbraw/zinc/33/04/30/532330430.db2.gz WDCITRZZJLGFQT-UHFFFAOYSA-N -1 1 377.394 1.644 20 0 GDADMM COC(=O)c1cc(Br)c(S(=O)(=O)NC[C@H](C)C(=O)[O-])s1 ZINC000289732924 532331341 /nfs/dbraw/zinc/33/13/41/532331341.db2.gz NUPBVOGUCGWLSH-YFKPBYRVSA-N -1 1 386.245 1.296 20 0 GDADMM COC(=O)c1cc(Br)c(S(=O)(=O)NC[C@@H](C)C(=O)[O-])s1 ZINC000289732918 532331500 /nfs/dbraw/zinc/33/15/00/532331500.db2.gz NUPBVOGUCGWLSH-RXMQYKEDSA-N -1 1 386.245 1.296 20 0 GDADMM Cc1oc(NC(=O)[C@H](C)N2CCO[C@H](C(F)(F)F)C2)c(-c2nn[n-]n2)c1C ZINC000737552362 598865461 /nfs/dbraw/zinc/86/54/61/598865461.db2.gz NQTJFGRKMYCOGO-WPRPVWTQSA-N -1 1 388.350 1.667 20 0 GDADMM O=C1Cc2cc([N-]S(=O)(=O)c3ccc(Cl)c(-c4nn[nH]n4)c3)ccc2N1 ZINC000738316388 598867599 /nfs/dbraw/zinc/86/75/99/598867599.db2.gz STSWXJHVQGDTHN-UHFFFAOYSA-N -1 1 390.812 1.816 20 0 GDADMM Cc1nc(C2([N-]S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3F)CCCC2)no1 ZINC000737473246 598869615 /nfs/dbraw/zinc/86/96/15/598869615.db2.gz BNYVTMNSBYTJCX-UHFFFAOYSA-N -1 1 393.404 1.445 20 0 GDADMM COC(=O)CC1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000736913203 598874514 /nfs/dbraw/zinc/87/45/14/598874514.db2.gz YHZLGTANGKJYKY-UHFFFAOYSA-N -1 1 399.860 1.484 20 0 GDADMM COC(=O)CC1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000736913203 598874515 /nfs/dbraw/zinc/87/45/15/598874515.db2.gz YHZLGTANGKJYKY-UHFFFAOYSA-N -1 1 399.860 1.484 20 0 GDADMM CCOC[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000736611133 598875756 /nfs/dbraw/zinc/87/57/56/598875756.db2.gz MVOVNMIJFRKKES-LLVKDONJSA-N -1 1 385.877 1.957 20 0 GDADMM CCOC[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000736611133 598875759 /nfs/dbraw/zinc/87/57/59/598875759.db2.gz MVOVNMIJFRKKES-LLVKDONJSA-N -1 1 385.877 1.957 20 0 GDADMM C[S@](=O)CCNC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000737173771 598891005 /nfs/dbraw/zinc/89/10/05/598891005.db2.gz QAIXLVJOTNKHDG-SANMLTNESA-N -1 1 390.494 1.773 20 0 GDADMM CC[C@H](C)[C@@](C)(O)CNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000736335170 598931917 /nfs/dbraw/zinc/93/19/17/598931917.db2.gz XWBVKAITHWWEMT-YPMLDQLKSA-N -1 1 376.461 1.430 20 0 GDADMM Cc1nc(CN2CCCN(c3c4ccccc4nnc3-c3nnn[n-]3)CC2)no1 ZINC000737479114 598967128 /nfs/dbraw/zinc/96/71/28/598967128.db2.gz ZSFHCPCLEBWWAN-UHFFFAOYSA-N -1 1 392.427 1.214 20 0 GDADMM Cc1nc(CN2CCCN(c3c4ccccc4nnc3-c3nn[n-]n3)CC2)no1 ZINC000737479114 598967130 /nfs/dbraw/zinc/96/71/30/598967130.db2.gz ZSFHCPCLEBWWAN-UHFFFAOYSA-N -1 1 392.427 1.214 20 0 GDADMM COc1cc(OC)cc([C@H](O)CNc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000737050780 598971257 /nfs/dbraw/zinc/97/12/57/598971257.db2.gz FBVQLISATSGHQG-MRXNPFEDSA-N -1 1 393.407 1.973 20 0 GDADMM COc1cc(OC)cc([C@H](O)CNc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000737050780 598971259 /nfs/dbraw/zinc/97/12/59/598971259.db2.gz FBVQLISATSGHQG-MRXNPFEDSA-N -1 1 393.407 1.973 20 0 GDADMM O=C(Nc1ccc(N2C(=O)CCCC2=O)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738171509 598993539 /nfs/dbraw/zinc/99/35/39/598993539.db2.gz AWEUDZLHEAJTNA-UHFFFAOYSA-N -1 1 377.364 1.558 20 0 GDADMM O=C(Nc1ccc(N2C(=O)CCCC2=O)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738171509 598993541 /nfs/dbraw/zinc/99/35/41/598993541.db2.gz AWEUDZLHEAJTNA-UHFFFAOYSA-N -1 1 377.364 1.558 20 0 GDADMM O=C(NC[C@@H](c1cccc(F)c1)N1CCOCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738037347 598999032 /nfs/dbraw/zinc/99/90/32/598999032.db2.gz GJLOTBACXIDSGF-KRWDZBQOSA-N -1 1 397.414 1.204 20 0 GDADMM O=C(NC[C@@H](c1cccc(F)c1)N1CCOCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738037347 598999035 /nfs/dbraw/zinc/99/90/35/598999035.db2.gz GJLOTBACXIDSGF-KRWDZBQOSA-N -1 1 397.414 1.204 20 0 GDADMM CC(C)[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1nc(-c2ccncc2)no1 ZINC000735723080 599001410 /nfs/dbraw/zinc/00/14/10/599001410.db2.gz YQKLWFXNCZPHGD-AWEZNQCLSA-N -1 1 391.395 1.834 20 0 GDADMM CC(C)[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1nc(-c2ccncc2)no1 ZINC000735723080 599001412 /nfs/dbraw/zinc/00/14/12/599001412.db2.gz YQKLWFXNCZPHGD-AWEZNQCLSA-N -1 1 391.395 1.834 20 0 GDADMM O=C(OCc1ccccc1)[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738234709 599005218 /nfs/dbraw/zinc/00/52/18/599005218.db2.gz LCLSSCDWGZTPIN-MRXNPFEDSA-N -1 1 378.392 1.610 20 0 GDADMM O=C(OCc1ccccc1)[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738234709 599005220 /nfs/dbraw/zinc/00/52/20/599005220.db2.gz LCLSSCDWGZTPIN-MRXNPFEDSA-N -1 1 378.392 1.610 20 0 GDADMM CC(C)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)NC(=O)OC(C)(C)C ZINC000735707563 599018144 /nfs/dbraw/zinc/01/81/44/599018144.db2.gz JAQWNEWEONKMCV-ZDUSSCGKSA-N -1 1 375.433 1.541 20 0 GDADMM CC(C)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)NC(=O)OC(C)(C)C ZINC000735707563 599018146 /nfs/dbraw/zinc/01/81/46/599018146.db2.gz JAQWNEWEONKMCV-ZDUSSCGKSA-N -1 1 375.433 1.541 20 0 GDADMM O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738026375 599021568 /nfs/dbraw/zinc/02/15/68/599021568.db2.gz RROTWUWDWOCDBX-UHFFFAOYSA-N -1 1 392.423 1.688 20 0 GDADMM O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738026375 599021571 /nfs/dbraw/zinc/02/15/71/599021571.db2.gz RROTWUWDWOCDBX-UHFFFAOYSA-N -1 1 392.423 1.688 20 0 GDADMM O=C(NCCNc1ncc(Cl)cc1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000738077173 599024358 /nfs/dbraw/zinc/02/43/58/599024358.db2.gz AXEMBNQQDPDCLW-UHFFFAOYSA-N -1 1 379.211 1.805 20 0 GDADMM O=C(NCCNc1ncc(Cl)cc1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000738077173 599024360 /nfs/dbraw/zinc/02/43/60/599024360.db2.gz AXEMBNQQDPDCLW-UHFFFAOYSA-N -1 1 379.211 1.805 20 0 GDADMM Cn1cc(N2CCC[C@@H](Nc3c4ccccc4nnc3-c3nnn[n-]3)C2)cn1 ZINC000822680977 599036911 /nfs/dbraw/zinc/03/69/11/599036911.db2.gz RUVCDZCKKOCWNP-GFCCVEGCSA-N -1 1 376.428 1.624 20 0 GDADMM Cn1cc(N2CCC[C@@H](Nc3c4ccccc4nnc3-c3nn[n-]n3)C2)cn1 ZINC000822680977 599036914 /nfs/dbraw/zinc/03/69/14/599036914.db2.gz RUVCDZCKKOCWNP-GFCCVEGCSA-N -1 1 376.428 1.624 20 0 GDADMM Cc1oc(NC(=O)COC(=O)CCCc2ccccn2)c(-c2nn[n-]n2)c1C ZINC000737552433 599057032 /nfs/dbraw/zinc/05/70/32/599057032.db2.gz QDECEDBMSKULDW-UHFFFAOYSA-N -1 1 384.396 1.976 20 0 GDADMM NC(=O)COc1cccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000822868530 599076886 /nfs/dbraw/zinc/07/68/86/599076886.db2.gz BOAUESXVGKWQOZ-UHFFFAOYSA-N -1 1 376.380 1.286 20 0 GDADMM NC(=O)COc1cccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000822868530 599076888 /nfs/dbraw/zinc/07/68/88/599076888.db2.gz BOAUESXVGKWQOZ-UHFFFAOYSA-N -1 1 376.380 1.286 20 0 GDADMM CCCN1C(=O)C2(CCCCC2)N[C@@H]1c1cnc2c(-c3nnn[n-]3)cnn2c1 ZINC000821109527 599115154 /nfs/dbraw/zinc/11/51/54/599115154.db2.gz LOYOCYSEAREFIJ-HNNXBMFYSA-N -1 1 381.444 1.453 20 0 GDADMM CCCN1C(=O)C2(CCCCC2)N[C@@H]1c1cnc2c(-c3nn[n-]n3)cnn2c1 ZINC000821109527 599115158 /nfs/dbraw/zinc/11/51/58/599115158.db2.gz LOYOCYSEAREFIJ-HNNXBMFYSA-N -1 1 381.444 1.453 20 0 GDADMM C[C@H](c1ccc(F)cc1)N(C)C(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736197923 599135708 /nfs/dbraw/zinc/13/57/08/599135708.db2.gz DZBVTHHFXURSMZ-LLVKDONJSA-N -1 1 384.371 1.777 20 0 GDADMM C[C@H](c1ccc(F)cc1)N(C)C(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736197923 599135711 /nfs/dbraw/zinc/13/57/11/599135711.db2.gz DZBVTHHFXURSMZ-LLVKDONJSA-N -1 1 384.371 1.777 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000736156339 599136051 /nfs/dbraw/zinc/13/60/51/599136051.db2.gz AGOCXJANYAAMNI-VIFPVBQESA-N -1 1 382.336 1.174 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000736156339 599136052 /nfs/dbraw/zinc/13/60/52/599136052.db2.gz AGOCXJANYAAMNI-VIFPVBQESA-N -1 1 382.336 1.174 20 0 GDADMM Cc1ccc(SCCNC(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737368408 599139528 /nfs/dbraw/zinc/13/95/28/599139528.db2.gz IWSZDLNSSQSRSO-UHFFFAOYSA-N -1 1 398.448 1.635 20 0 GDADMM Cc1ccc(SCCNC(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737368408 599139530 /nfs/dbraw/zinc/13/95/30/599139530.db2.gz IWSZDLNSSQSRSO-UHFFFAOYSA-N -1 1 398.448 1.635 20 0 GDADMM O=C(O[C@H]1CCCN(c2cccc(F)c2)C1=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738215922 599141618 /nfs/dbraw/zinc/14/16/18/599141618.db2.gz STNYFXSTFAXQNL-HNNXBMFYSA-N -1 1 382.355 1.753 20 0 GDADMM O=C(O[C@H]1CCCN(c2cccc(F)c2)C1=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738215922 599141619 /nfs/dbraw/zinc/14/16/19/599141619.db2.gz STNYFXSTFAXQNL-HNNXBMFYSA-N -1 1 382.355 1.753 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCS[C@H](C)[C@@H]1C ZINC000737199732 599301905 /nfs/dbraw/zinc/30/19/05/599301905.db2.gz IZDNDRASQBQMPM-NWDGAFQWSA-N -1 1 376.486 1.869 20 0 GDADMM CN(C[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)OC(C)(C)C ZINC000821596284 599206889 /nfs/dbraw/zinc/20/68/89/599206889.db2.gz FUJQLKGRRUGFJQ-ZDUSSCGKSA-N -1 1 387.444 1.733 20 0 GDADMM CN(C[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)OC(C)(C)C ZINC000821596284 599206891 /nfs/dbraw/zinc/20/68/91/599206891.db2.gz FUJQLKGRRUGFJQ-ZDUSSCGKSA-N -1 1 387.444 1.733 20 0 GDADMM O=C(N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823146675 599207830 /nfs/dbraw/zinc/20/78/30/599207830.db2.gz YCWXAMXXJSIUCQ-HLLBOEOZSA-N -1 1 389.419 1.149 20 0 GDADMM O=C(N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823146675 599207831 /nfs/dbraw/zinc/20/78/31/599207831.db2.gz YCWXAMXXJSIUCQ-HLLBOEOZSA-N -1 1 389.419 1.149 20 0 GDADMM O=C(Nc1ccc(F)c(-n2nnnc2C2CC2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738166822 599231682 /nfs/dbraw/zinc/23/16/82/599231682.db2.gz WVGFKHZIHIQWDB-UHFFFAOYSA-N -1 1 392.358 1.506 20 0 GDADMM O=C(Nc1ccc(F)c(-n2nnnc2C2CC2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738166822 599231683 /nfs/dbraw/zinc/23/16/83/599231683.db2.gz WVGFKHZIHIQWDB-UHFFFAOYSA-N -1 1 392.358 1.506 20 0 GDADMM COc1ccc(OCCS(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000365573743 599234641 /nfs/dbraw/zinc/23/46/41/599234641.db2.gz DHDZFQBMIKZQJS-UHFFFAOYSA-N -1 1 375.410 1.696 20 0 GDADMM CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1CN1CCSCC1)C(=O)[O-] ZINC000817956555 597036965 /nfs/dbraw/zinc/03/69/65/597036965.db2.gz MAXWOUSEKKCVNG-HNNXBMFYSA-N -1 1 379.482 1.399 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@@H](O)CC(C)(C)C ZINC000737200895 599239882 /nfs/dbraw/zinc/23/98/82/599239882.db2.gz OAJXMPIWTYZCLI-LBPRGKRZSA-N -1 1 376.461 1.430 20 0 GDADMM O=C([O-])C[C@H]1CCCN(C(=O)CCn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000769528655 597091709 /nfs/dbraw/zinc/09/17/09/597091709.db2.gz WALGYAXSEJIEDL-GFCCVEGCSA-N -1 1 375.450 1.789 20 0 GDADMM O=C([O-])CSCC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000740485282 597099391 /nfs/dbraw/zinc/09/93/91/597099391.db2.gz GTNBVLHAFUFCBQ-UHFFFAOYSA-N -1 1 385.243 1.668 20 0 GDADMM O=C([O-])CSCC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000740485282 597099394 /nfs/dbraw/zinc/09/93/94/597099394.db2.gz GTNBVLHAFUFCBQ-UHFFFAOYSA-N -1 1 385.243 1.668 20 0 GDADMM Cc1nc(C)c(CNC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)s1 ZINC000737473521 599242205 /nfs/dbraw/zinc/24/22/05/599242205.db2.gz JNLCOXFYUKEMNJ-UHFFFAOYSA-N -1 1 387.469 1.906 20 0 GDADMM CC(=O)NCCN(Cc1cn2cc(Br)ccc2n1)[C@@H](C)C(=O)[O-] ZINC000819780552 597678119 /nfs/dbraw/zinc/67/81/19/597678119.db2.gz JUTALFVEWNXZEN-JTQLQIEISA-N -1 1 383.246 1.508 20 0 GDADMM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(-c2nn[nH]n2)cc1F ZINC000821943171 607327913 /nfs/dbraw/zinc/32/79/13/607327913.db2.gz TYLDGVOPJLRQFE-UHFFFAOYSA-N -1 1 397.413 1.210 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCc2ccc(F)cc2C1 ZINC000823601175 607332982 /nfs/dbraw/zinc/33/29/82/607332982.db2.gz UZKNCVTTYNGJOK-UHFFFAOYSA-N -1 1 377.376 1.892 20 0 GDADMM CC[C@H](C)[C@H](NCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)C(=O)[O-] ZINC000820459624 598187657 /nfs/dbraw/zinc/18/76/57/598187657.db2.gz KYXSJMCPPOHUMD-KSSFIOAISA-N -1 1 375.469 1.953 20 0 GDADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000820382724 598207270 /nfs/dbraw/zinc/20/72/70/598207270.db2.gz HBNKFIFZUAHNFW-MRXNPFEDSA-N -1 1 376.457 1.918 20 0 GDADMM CCOc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c(C=O)c1 ZINC000736650684 598260607 /nfs/dbraw/zinc/26/06/07/598260607.db2.gz HLTSJHPUCRASEN-UHFFFAOYSA-N -1 1 375.366 1.241 20 0 GDADMM CCOc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c(C=O)c1 ZINC000736650684 598260610 /nfs/dbraw/zinc/26/06/10/598260610.db2.gz HLTSJHPUCRASEN-UHFFFAOYSA-N -1 1 375.366 1.241 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000738352902 598262753 /nfs/dbraw/zinc/26/27/53/598262753.db2.gz BWHPVJWTJDKXOP-HNNXBMFYSA-N -1 1 396.436 1.664 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000738352902 598262754 /nfs/dbraw/zinc/26/27/54/598262754.db2.gz BWHPVJWTJDKXOP-HNNXBMFYSA-N -1 1 396.436 1.664 20 0 GDADMM C[C@@H](Cc1ccccc1Cl)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736056453 598264900 /nfs/dbraw/zinc/26/49/00/598264900.db2.gz BVJCIVPMFOEPRZ-JTQLQIEISA-N -1 1 378.845 1.825 20 0 GDADMM C[C@@H](Cc1ccccc1Cl)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736056453 598264901 /nfs/dbraw/zinc/26/49/01/598264901.db2.gz BVJCIVPMFOEPRZ-JTQLQIEISA-N -1 1 378.845 1.825 20 0 GDADMM Cc1ccc(N2CCCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)cc1 ZINC000737352872 598267620 /nfs/dbraw/zinc/26/76/20/598267620.db2.gz STRXLCAJWCPYHI-UHFFFAOYSA-N -1 1 399.480 1.471 20 0 GDADMM Cc1ccc(N2CCCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)cc1 ZINC000737352872 598267621 /nfs/dbraw/zinc/26/76/21/598267621.db2.gz STRXLCAJWCPYHI-UHFFFAOYSA-N -1 1 399.480 1.471 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000738352838 598268120 /nfs/dbraw/zinc/26/81/20/598268120.db2.gz AYJLUSCQAJHHEW-CQSZACIVSA-N -1 1 388.428 1.797 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000738352838 598268121 /nfs/dbraw/zinc/26/81/21/598268121.db2.gz AYJLUSCQAJHHEW-CQSZACIVSA-N -1 1 388.428 1.797 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCCO[C@@H](c2ccccc2)C1 ZINC000738352746 598313899 /nfs/dbraw/zinc/31/38/99/598313899.db2.gz AFRILYVEKZZNQC-MRXNPFEDSA-N -1 1 386.437 1.414 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCCO[C@@H](c2ccccc2)C1 ZINC000738352746 598313900 /nfs/dbraw/zinc/31/39/00/598313900.db2.gz AFRILYVEKZZNQC-MRXNPFEDSA-N -1 1 386.437 1.414 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H](Cc2ccccc2)C1 ZINC000738353707 598370506 /nfs/dbraw/zinc/37/05/06/598370506.db2.gz FSKNEFOORVQUCV-OAHLLOKOSA-N -1 1 384.465 1.905 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H](Cc2ccccc2)C1 ZINC000738353707 598370508 /nfs/dbraw/zinc/37/05/08/598370508.db2.gz FSKNEFOORVQUCV-OAHLLOKOSA-N -1 1 384.465 1.905 20 0 GDADMM CCc1nn(C[C@@H](O)COc2c(C)cccc2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706648 598374363 /nfs/dbraw/zinc/37/43/63/598374363.db2.gz YMLZDYUQIIJWLI-CQSZACIVSA-N -1 1 398.467 1.605 20 0 GDADMM CCc1nn(CC(=O)N(CC)c2ccccc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705320 598378798 /nfs/dbraw/zinc/37/87/98/598378798.db2.gz FZNHWOCBNNYLRZ-UHFFFAOYSA-N -1 1 381.440 1.601 20 0 GDADMM Brc1ccc([C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CCO2)cc1 ZINC000735368383 598386380 /nfs/dbraw/zinc/38/63/80/598386380.db2.gz KYXZYMBRROHEDR-ZDUSSCGKSA-N -1 1 388.229 1.997 20 0 GDADMM Brc1ccc([C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CCO2)cc1 ZINC000735368383 598386383 /nfs/dbraw/zinc/38/63/83/598386383.db2.gz KYXZYMBRROHEDR-ZDUSSCGKSA-N -1 1 388.229 1.997 20 0 GDADMM CCCN(C[C@H]1CCCCO1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736470498 598406572 /nfs/dbraw/zinc/40/65/72/598406572.db2.gz IWTRSRGVEDHLQW-GFCCVEGCSA-N -1 1 383.449 1.976 20 0 GDADMM CC/C=C(\C)C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000736412753 598407697 /nfs/dbraw/zinc/40/76/97/598407697.db2.gz UPICJGDUNYJSMB-KPKJPENVSA-N -1 1 381.396 1.890 20 0 GDADMM CC/C=C(\C)C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736412753 598407698 /nfs/dbraw/zinc/40/76/98/598407698.db2.gz UPICJGDUNYJSMB-KPKJPENVSA-N -1 1 381.396 1.890 20 0 GDADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)cc1C(N)=O ZINC000737362818 598452316 /nfs/dbraw/zinc/45/23/16/598452316.db2.gz YFIJMQIEFHOCJT-UHFFFAOYSA-N -1 1 392.828 1.728 20 0 GDADMM C[C@H]1CO[C@@H](c2ccccc2)CN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736290438 598464363 /nfs/dbraw/zinc/46/43/63/598464363.db2.gz AIDRNVUUUOUMHE-BLLLJJGKSA-N -1 1 386.437 1.412 20 0 GDADMM C[C@H]1CO[C@@H](c2ccccc2)CN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736290438 598464364 /nfs/dbraw/zinc/46/43/64/598464364.db2.gz AIDRNVUUUOUMHE-BLLLJJGKSA-N -1 1 386.437 1.412 20 0 GDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)COc1ccccc1OCc1ccccc1 ZINC000737775961 598474133 /nfs/dbraw/zinc/47/41/33/598474133.db2.gz IWNPQLHRPYNYKS-UHFFFAOYSA-N -1 1 391.391 1.944 20 0 GDADMM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000538703952 598511225 /nfs/dbraw/zinc/51/12/25/598511225.db2.gz VDIGMRMYIKNXCC-UHFFFAOYSA-N -1 1 384.421 1.794 20 0 GDADMM CCCN1C(=O)c2ccccc2N[C@@H]1c1cnc2c(-c3nnn[n-]3)cnn2c1 ZINC000736479299 598543536 /nfs/dbraw/zinc/54/35/36/598543536.db2.gz HXRSFGRMLORYGX-INIZCTEOSA-N -1 1 375.396 1.886 20 0 GDADMM CCCN1C(=O)c2ccccc2N[C@@H]1c1cnc2c(-c3nn[n-]n3)cnn2c1 ZINC000736479299 598543537 /nfs/dbraw/zinc/54/35/37/598543537.db2.gz HXRSFGRMLORYGX-INIZCTEOSA-N -1 1 375.396 1.886 20 0 GDADMM Cc1nc(CN2CCC[C@@H](N(C)c3snc(Cl)c3-c3nnn[n-]3)C2)no1 ZINC000737478375 598544908 /nfs/dbraw/zinc/54/49/08/598544908.db2.gz RSADWVMOIYBPQE-SECBINFHSA-N -1 1 395.880 1.769 20 0 GDADMM Cc1nc(CN2CCC[C@@H](N(C)c3snc(Cl)c3-c3nn[n-]n3)C2)no1 ZINC000737478375 598544909 /nfs/dbraw/zinc/54/49/09/598544909.db2.gz RSADWVMOIYBPQE-SECBINFHSA-N -1 1 395.880 1.769 20 0 GDADMM CSC[C@H](C)C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000737182208 598557275 /nfs/dbraw/zinc/55/72/75/598557275.db2.gz YHHVITBQIHUVJR-JTQLQIEISA-N -1 1 377.474 1.380 20 0 GDADMM CCc1nn(CC(=O)N[C@H](C)c2cccs2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705068 598641478 /nfs/dbraw/zinc/64/14/78/598641478.db2.gz CDKBJWSOZYMHTN-SNVBAGLBSA-N -1 1 387.469 1.487 20 0 GDADMM CCc1nn(CC(=O)c2ccc3c(c2)OCCO3)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705637 598641733 /nfs/dbraw/zinc/64/17/33/598641733.db2.gz MCRNBNWYJXFGQE-UHFFFAOYSA-N -1 1 396.407 1.202 20 0 GDADMM COc1ccc(N(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1OC ZINC000737099743 598663510 /nfs/dbraw/zinc/66/35/10/598663510.db2.gz PZDRQYPAVQXSML-UHFFFAOYSA-N -1 1 393.400 1.848 20 0 GDADMM O=C(NC[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)Nc1cccc(F)c1 ZINC000738049855 598672875 /nfs/dbraw/zinc/67/28/75/598672875.db2.gz LTIOKZWXTYZHIA-GFCCVEGCSA-N -1 1 397.418 1.834 20 0 GDADMM O=C(NC[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)Nc1cccc(F)c1 ZINC000738049855 598672878 /nfs/dbraw/zinc/67/28/78/598672878.db2.gz LTIOKZWXTYZHIA-GFCCVEGCSA-N -1 1 397.418 1.834 20 0 GDADMM COC(=O)c1cccc(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000736947437 598687089 /nfs/dbraw/zinc/68/70/89/598687089.db2.gz FIWHSYGWQFPDNX-UHFFFAOYSA-N -1 1 378.341 1.560 20 0 GDADMM Cc1nc(Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Br)ccc32)no1 ZINC000737480691 598722974 /nfs/dbraw/zinc/72/29/74/598722974.db2.gz RLHBBHWKPHSDPK-UHFFFAOYSA-N -1 1 388.185 1.684 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC[C@@H](O)c2ccccc2C)cc1-c1nn[n-]n1 ZINC000737187059 598779898 /nfs/dbraw/zinc/77/98/98/598779898.db2.gz OLHLQLXOMXYMSV-CYBMUJFWSA-N -1 1 386.437 1.461 20 0 GDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCc1ccc(-c2nn[nH]n2)cc1 ZINC000737486493 598816280 /nfs/dbraw/zinc/81/62/80/598816280.db2.gz BIINVWDGXLUYDW-UHFFFAOYSA-N -1 1 379.380 1.518 20 0 GDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCc1ccccc1-c1nn[nH]n1 ZINC000737489396 598816681 /nfs/dbraw/zinc/81/66/81/598816681.db2.gz XIUANALSWQUEHK-UHFFFAOYSA-N -1 1 379.380 1.518 20 0 GDADMM COCCN(Cc1cccs1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000821690398 599336151 /nfs/dbraw/zinc/33/61/51/599336151.db2.gz JVQAEJFWBPUYJY-UHFFFAOYSA-N -1 1 397.457 1.905 20 0 GDADMM COCCN(Cc1cccs1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000821690398 599336156 /nfs/dbraw/zinc/33/61/56/599336156.db2.gz JVQAEJFWBPUYJY-UHFFFAOYSA-N -1 1 397.457 1.905 20 0 GDADMM O=C1NC2(CCCC2)C(=O)N1CCn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000738315461 599340531 /nfs/dbraw/zinc/34/05/31/599340531.db2.gz JOEBAQFNYGOIJZ-UHFFFAOYSA-N -1 1 393.407 1.046 20 0 GDADMM Cc1noc(C2CCN(S(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)CC2)n1 ZINC000822528263 599341057 /nfs/dbraw/zinc/34/10/57/599341057.db2.gz ZFOHDURQZZPCRL-UHFFFAOYSA-N -1 1 393.404 1.266 20 0 GDADMM Cc1noc(C2CCN(S(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)CC2)n1 ZINC000822528263 599341058 /nfs/dbraw/zinc/34/10/58/599341058.db2.gz ZFOHDURQZZPCRL-UHFFFAOYSA-N -1 1 393.404 1.266 20 0 GDADMM CC(C)C[C@H]1COCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000820069265 599343684 /nfs/dbraw/zinc/34/36/84/599343684.db2.gz YICZJSJMOKUGJJ-LBPRGKRZSA-N -1 1 385.877 1.956 20 0 GDADMM CCCC[C@@H](COC)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000736439632 599380680 /nfs/dbraw/zinc/38/06/80/599380680.db2.gz XYJHEXLSOIDSLK-ZDUSSCGKSA-N -1 1 376.461 1.838 20 0 GDADMM COCCN1C(=O)N[C@@H](c2ccc(-c3nnn[n-]3)o2)C(C(=O)OC(C)C)=C1C ZINC000821690501 599492862 /nfs/dbraw/zinc/49/28/62/599492862.db2.gz OBFYTSSIUDRLBK-AWEZNQCLSA-N -1 1 390.400 1.398 20 0 GDADMM COCCN1C(=O)N[C@@H](c2ccc(-c3nn[n-]n3)o2)C(C(=O)OC(C)C)=C1C ZINC000821690501 599492865 /nfs/dbraw/zinc/49/28/65/599492865.db2.gz OBFYTSSIUDRLBK-AWEZNQCLSA-N -1 1 390.400 1.398 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCCCNc2ccccn2)cc1-c1nn[n-]n1 ZINC000737186583 599495482 /nfs/dbraw/zinc/49/54/82/599495482.db2.gz JXGLWNOVYXOMMF-UHFFFAOYSA-N -1 1 386.441 1.316 20 0 GDADMM CN(C1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1)S(C)(=O)=O ZINC000821592502 599495644 /nfs/dbraw/zinc/49/56/44/599495644.db2.gz IWKYNUVSZMHCRV-UHFFFAOYSA-N -1 1 387.469 1.275 20 0 GDADMM CN(C1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1)S(C)(=O)=O ZINC000821592502 599495647 /nfs/dbraw/zinc/49/56/47/599495647.db2.gz IWKYNUVSZMHCRV-UHFFFAOYSA-N -1 1 387.469 1.275 20 0 GDADMM CS(=O)(=O)N1CCC(CNc2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000821932744 599508228 /nfs/dbraw/zinc/50/82/28/599508228.db2.gz QNKVARDDNCIKDR-UHFFFAOYSA-N -1 1 387.469 1.498 20 0 GDADMM CS(=O)(=O)N1CCC(CNc2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000821932744 599508231 /nfs/dbraw/zinc/50/82/31/599508231.db2.gz QNKVARDDNCIKDR-UHFFFAOYSA-N -1 1 387.469 1.498 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2CCC[C@H]2Cc2ccccc2)n(C)c1=O ZINC000737595079 599527524 /nfs/dbraw/zinc/52/75/24/599527524.db2.gz FJWBSJSYMLRXHI-UONOGXRCSA-N -1 1 381.440 1.087 20 0 GDADMM CO[C@@]1(C)C[C@@H](NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C1(C)C ZINC000821678010 599655080 /nfs/dbraw/zinc/65/50/80/599655080.db2.gz IAIWWNLCTLWAHR-YJYMSZOUSA-N -1 1 388.472 1.837 20 0 GDADMM CC[C@@H]1Oc2cc([C@H](C)NC(=O)c3ccc(-c4nnn[n-]4)nc3)ccc2NC1=O ZINC000821001196 599655300 /nfs/dbraw/zinc/65/53/00/599655300.db2.gz PTEWLWKJRJNAGB-BONVTDFDSA-N -1 1 393.407 1.862 20 0 GDADMM CC[C@@H]1Oc2cc([C@H](C)NC(=O)c3ccc(-c4nn[n-]n4)nc3)ccc2NC1=O ZINC000821001196 599655301 /nfs/dbraw/zinc/65/53/01/599655301.db2.gz PTEWLWKJRJNAGB-BONVTDFDSA-N -1 1 393.407 1.862 20 0 GDADMM O=C(COC(=O)CC1CCC1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000823018566 599670260 /nfs/dbraw/zinc/67/02/60/599670260.db2.gz RWZCBURNRQARQF-UHFFFAOYSA-N -1 1 381.396 1.724 20 0 GDADMM O=C(COC(=O)CC1CCC1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000823018566 599670261 /nfs/dbraw/zinc/67/02/61/599670261.db2.gz RWZCBURNRQARQF-UHFFFAOYSA-N -1 1 381.396 1.724 20 0 GDADMM CSc1ccc(F)cc1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821985070 599683247 /nfs/dbraw/zinc/68/32/47/599683247.db2.gz YJEHIAYXBCUNKL-UHFFFAOYSA-N -1 1 380.430 1.601 20 0 GDADMM CSc1ccc(F)cc1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821985070 599683248 /nfs/dbraw/zinc/68/32/48/599683248.db2.gz YJEHIAYXBCUNKL-UHFFFAOYSA-N -1 1 380.430 1.601 20 0 GDADMM O=S(=O)(c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000823600265 599683489 /nfs/dbraw/zinc/68/34/89/599683489.db2.gz FIQIEYUWYUYGGP-AOOOYVTPSA-N -1 1 389.359 1.437 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCCn1cnnc1C(C)C ZINC000822540448 599691694 /nfs/dbraw/zinc/69/16/94/599691694.db2.gz AYTXPNSHUUOSMQ-UHFFFAOYSA-N -1 1 395.427 1.704 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCn1cnnc1C(C)C ZINC000822540448 599691695 /nfs/dbraw/zinc/69/16/95/599691695.db2.gz AYTXPNSHUUOSMQ-UHFFFAOYSA-N -1 1 395.427 1.704 20 0 GDADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000738148694 599721695 /nfs/dbraw/zinc/72/16/95/599721695.db2.gz FQXBOAMZCRLWFR-UHFFFAOYSA-N -1 1 386.393 1.212 20 0 GDADMM COC(=O)C[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821659239 607391057 /nfs/dbraw/zinc/39/10/57/607391057.db2.gz WSOPAPOUKWOIFD-JTQLQIEISA-N -1 1 385.833 1.236 20 0 GDADMM CN1CCN(C[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])o2)c2ccccc2)CC1 ZINC000737526048 599777872 /nfs/dbraw/zinc/77/78/72/599777872.db2.gz LLAHYZUNYMKECA-HNNXBMFYSA-N -1 1 393.465 1.245 20 0 GDADMM CC(C)C(=O)NC[C@@H]1CCCN(CC(=O)NCc2ccc(NC(=O)[O-])cc2)C1 ZINC000736346775 599783936 /nfs/dbraw/zinc/78/39/36/599783936.db2.gz KFYFJBRNGITSMR-INIZCTEOSA-N -1 1 390.484 1.877 20 0 GDADMM COc1ccnc(N2CCN(S(=O)(=O)c3cccc(C)c3C(=O)[O-])CC2)c1 ZINC000738142716 599801323 /nfs/dbraw/zinc/80/13/23/599801323.db2.gz FSWGQLMMQBQIDQ-UHFFFAOYSA-N -1 1 391.449 1.608 20 0 GDADMM COC(=O)c1cc(NC(=O)[C@@H](C)N2CCC[C@@H](CCO)C2)cc(C(=O)[O-])c1 ZINC000737660313 599814466 /nfs/dbraw/zinc/81/44/66/599814466.db2.gz LTORGWNYQWYGLA-OLZOCXBDSA-N -1 1 378.425 1.593 20 0 GDADMM COC(=O)c1cc(NC(=O)[C@@H](C)N2CCC[C@H](CCO)C2)cc(C(=O)[O-])c1 ZINC000737660311 599814741 /nfs/dbraw/zinc/81/47/41/599814741.db2.gz LTORGWNYQWYGLA-CHWSQXEVSA-N -1 1 378.425 1.593 20 0 GDADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000428052072 599862111 /nfs/dbraw/zinc/86/21/11/599862111.db2.gz FHOWXJXFTGDJHD-LRDDRELGSA-N -1 1 380.404 1.493 20 0 GDADMM CC(C)[C@H](NC(=O)[O-])C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000736373527 599887776 /nfs/dbraw/zinc/88/77/76/599887776.db2.gz CWKDMSWRWJIGMM-ZDUSSCGKSA-N -1 1 393.425 1.508 20 0 GDADMM COc1ccc([C@H](CNC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)N(C)C)cc1OC ZINC000737956974 599894230 /nfs/dbraw/zinc/89/42/30/599894230.db2.gz GWPGKRXMYDHWDR-CABCVRRESA-N -1 1 394.472 1.748 20 0 GDADMM CCOc1cc(C(=O)N2CCCN(CCOC)CC2)ccc1OCC(=O)[O-] ZINC000737186856 599933306 /nfs/dbraw/zinc/93/33/06/599933306.db2.gz LUEJABLKWSNVPQ-UHFFFAOYSA-N -1 1 380.441 1.343 20 0 GDADMM CC(C)CN1CCO[C@H](CNC(=O)COC(=O)c2cccc(NC(=O)[O-])c2)C1 ZINC000736444063 599998645 /nfs/dbraw/zinc/99/86/45/599998645.db2.gz WPQBDICWDVETET-MRXNPFEDSA-N -1 1 393.440 1.406 20 0 GDADMM Cc1cc(NC(=O)C(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)ccc1C(=O)[O-] ZINC000738415355 600044494 /nfs/dbraw/zinc/04/44/94/600044494.db2.gz LGIFSDGBOCPABP-OKILXGFUSA-N -1 1 377.441 1.247 20 0 GDADMM CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)N3CCO[C@@H](C(=O)[O-])C3)c2C1 ZINC000736352295 600052247 /nfs/dbraw/zinc/05/22/47/600052247.db2.gz BGPMBMAJPKGHCY-CXAGYDPISA-N -1 1 389.452 1.297 20 0 GDADMM CC(C)N1CCO[C@@H](CN2CCN(C(=O)c3ccc(C(=O)[O-])cc3)CC2)C1 ZINC000566854825 600117303 /nfs/dbraw/zinc/11/73/03/600117303.db2.gz CDZQSMRRMPIVTI-SFHVURJKSA-N -1 1 375.469 1.252 20 0 GDADMM O=C([O-])c1ccc(NC(=O)CN[C@@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000738466846 600120044 /nfs/dbraw/zinc/12/00/44/600120044.db2.gz BBKAFWRIVLEMKO-IBGZPJMESA-N -1 1 383.448 1.986 20 0 GDADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)OCC(=O)c1cc(C(=O)[O-])co1 ZINC000736652987 600143826 /nfs/dbraw/zinc/14/38/26/600143826.db2.gz SFVNYIIPCKJMCD-SECBINFHSA-N -1 1 385.332 1.399 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCOCC12CCC2 ZINC000826328361 607427753 /nfs/dbraw/zinc/42/77/53/607427753.db2.gz OQDQSKZDDXGHMN-UHFFFAOYSA-N -1 1 396.455 1.240 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCOCC12CCC2 ZINC000826328361 607427755 /nfs/dbraw/zinc/42/77/55/607427755.db2.gz OQDQSKZDDXGHMN-UHFFFAOYSA-N -1 1 396.455 1.240 20 0 GDADMM C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1 ZINC000736820672 600312446 /nfs/dbraw/zinc/31/24/46/600312446.db2.gz FKTXPXFPGJHKTC-KSSFIOAISA-N -1 1 398.463 1.492 20 0 GDADMM C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1 ZINC000736820672 600312448 /nfs/dbraw/zinc/31/24/48/600312448.db2.gz FKTXPXFPGJHKTC-KSSFIOAISA-N -1 1 398.463 1.492 20 0 GDADMM CC[C@H]1CN(Cn2nc(C(=O)[O-])c(Br)c2C)CCN1CCOC ZINC000736944878 600312979 /nfs/dbraw/zinc/31/29/79/600312979.db2.gz VDQLONKVQJXHRI-LBPRGKRZSA-N -1 1 389.294 1.652 20 0 GDADMM Cc1cc(CNC(=O)C(=O)Nc2cccc(CSCCC(=O)[O-])c2)n[nH]1 ZINC000738383645 600348935 /nfs/dbraw/zinc/34/89/35/600348935.db2.gz AUIIMCVHGGEPES-UHFFFAOYSA-N -1 1 376.438 1.681 20 0 GDADMM CCN(CC)S(=O)(=O)c1ccc2[nH]c(CN(C)C[C@@H](C)C(=O)[O-])nc2c1 ZINC000565104108 600369122 /nfs/dbraw/zinc/36/91/22/600369122.db2.gz MWDYFJWSMDVYSG-GFCCVEGCSA-N -1 1 382.486 1.746 20 0 GDADMM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C[C@@H](O)CN1CCCC1=O)CC2 ZINC000737905520 600374137 /nfs/dbraw/zinc/37/41/37/600374137.db2.gz KJRLDNDKQNZABP-GDBMZVCRSA-N -1 1 392.452 1.061 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@H](O)c1cccnc1 ZINC000822535402 607439674 /nfs/dbraw/zinc/43/96/74/607439674.db2.gz QKFKNBNVXQWNQX-ZDUSSCGKSA-N -1 1 379.380 1.417 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@H](O)c1cccnc1 ZINC000822535402 607439677 /nfs/dbraw/zinc/43/96/77/607439677.db2.gz QKFKNBNVXQWNQX-ZDUSSCGKSA-N -1 1 379.380 1.417 20 0 GDADMM COc1ccc(CN2CCC(CNS(=O)(=O)CCCC(=O)[O-])CC2)cc1 ZINC000738003185 600495821 /nfs/dbraw/zinc/49/58/21/600495821.db2.gz HMAVUKVKANUXKP-UHFFFAOYSA-N -1 1 384.498 1.691 20 0 GDADMM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CN1CCC[C@@H](Cn2cncn2)C1 ZINC000739623642 600538876 /nfs/dbraw/zinc/53/88/76/600538876.db2.gz FORLIZGLAMZPKW-CRAIPNDOSA-N -1 1 383.452 1.028 20 0 GDADMM COc1ccc(S(=O)(=O)Nc2cnn(CC(F)(F)F)c2)cc1C(=O)[O-] ZINC000605291963 600545104 /nfs/dbraw/zinc/54/51/04/600545104.db2.gz QSKSTVLNRZOPOB-UHFFFAOYSA-N -1 1 379.316 1.953 20 0 GDADMM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000736216037 600554515 /nfs/dbraw/zinc/55/45/15/600554515.db2.gz TVXORNGJMROGOF-MAUKXSAKSA-N -1 1 387.480 1.724 20 0 GDADMM CCN1CCN(c2ccc(CNC(=O)N3CCC(C(=O)[O-])CC3)cn2)CC1 ZINC000737121488 600560215 /nfs/dbraw/zinc/56/02/15/600560215.db2.gz AKSMQJOEHMIBLT-UHFFFAOYSA-N -1 1 375.473 1.230 20 0 GDADMM Cc1[nH]ncc1CCCNC(=O)CCNC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000738248967 600580763 /nfs/dbraw/zinc/58/07/63/600580763.db2.gz KRHDFQJUCBJGSA-UHFFFAOYSA-N -1 1 375.429 1.230 20 0 GDADMM CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1CN1CCC[C@H](OCCO)C1 ZINC000737504960 600627192 /nfs/dbraw/zinc/62/71/92/600627192.db2.gz AFMGWYLVCJHBIF-MAUKXSAKSA-N -1 1 389.452 1.195 20 0 GDADMM COCCN(CCC(=O)[O-])CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000737794947 600641681 /nfs/dbraw/zinc/64/16/81/600641681.db2.gz UIQXQQZGAHZUGJ-MRXNPFEDSA-N -1 1 392.452 1.544 20 0 GDADMM CCN1CCN(CC(=O)N[C@@H](CC(=O)[O-])c2ccc(Br)cc2)CC1 ZINC000737114329 600654293 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/nfs/dbraw/zinc/22/58/02/602225802.db2.gz NUZHGMCUFVBKLC-QGZVFWFLSA-N -1 1 391.516 1.646 20 0 GDADMM Cc1oc(NC(=O)COC(=O)[C@@H]2OCCc3ccccc32)c(-c2nn[n-]n2)c1C ZINC000826342316 607553697 /nfs/dbraw/zinc/55/36/97/607553697.db2.gz FXBAPZWIOHNPGU-MRXNPFEDSA-N -1 1 397.391 1.872 20 0 GDADMM CCN1CCC[C@@H](NC(=O)C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)C1 ZINC000829765095 602285404 /nfs/dbraw/zinc/28/54/04/602285404.db2.gz IQGSKADYLNZJSO-CQSZACIVSA-N -1 1 399.447 1.842 20 0 GDADMM CS(=O)(=O)Cc1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)cc1F ZINC000468775618 602308872 /nfs/dbraw/zinc/30/88/72/602308872.db2.gz BPCUEFWYZGQMDY-UHFFFAOYSA-N -1 1 393.439 1.931 20 0 GDADMM COC(=O)Nc1ccc(CNC(=O)CN2CCC(CN(C)C(=O)[O-])CC2)cc1 ZINC000739779034 602381561 /nfs/dbraw/zinc/38/15/61/602381561.db2.gz DQWRJSSOCXDAOT-UHFFFAOYSA-N -1 1 392.456 1.803 20 0 GDADMM C[C@@](CNC(=O)[O-])(NC(=O)CCn1c(=O)c2ccccc2[nH]c1=S)C1CC1 ZINC000738926099 602503055 /nfs/dbraw/zinc/50/30/55/602503055.db2.gz QPMHUGFKFQPJFW-SFHVURJKSA-N -1 1 390.465 1.628 20 0 GDADMM CCCN(CC(=O)NCc1cnn(-c2ccccc2)c1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739354314 602543973 /nfs/dbraw/zinc/54/39/73/602543973.db2.gz QITCTKVXHDUMIL-SFHVURJKSA-N -1 1 385.468 1.953 20 0 GDADMM CN(C(=O)[O-])C1CCN(C(=O)NCc2cccnc2N2CCN(C)CC2)CC1 ZINC000738023546 602544128 /nfs/dbraw/zinc/54/41/28/602544128.db2.gz ZOPRJTQEOYNBAM-UHFFFAOYSA-N -1 1 390.488 1.117 20 0 GDADMM COc1ccc(CN2CCCN(C(=O)CN(C)[C@H](C)CNC(=O)[O-])CC2)cc1 ZINC000739906203 602557667 /nfs/dbraw/zinc/55/76/67/602557667.db2.gz LHYFLBBUQLRJRX-MRXNPFEDSA-N -1 1 392.500 1.317 20 0 GDADMM O=C([O-])N1CCC[C@H]1CNC(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000740427557 602598033 /nfs/dbraw/zinc/59/80/33/602598033.db2.gz JOXOLTCKBAFJKC-SFHVURJKSA-N -1 1 389.500 1.640 20 0 GDADMM CCOC(=O)c1ccccc1OS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000825565643 607575773 /nfs/dbraw/zinc/57/57/73/607575773.db2.gz XBCBKIRFFYFHSX-UHFFFAOYSA-N -1 1 392.368 1.950 20 0 GDADMM CCOC(=O)c1ccccc1OS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825565643 607575775 /nfs/dbraw/zinc/57/57/75/607575775.db2.gz XBCBKIRFFYFHSX-UHFFFAOYSA-N -1 1 392.368 1.950 20 0 GDADMM CNS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2NC(=O)[O-])cc1 ZINC000739750963 602653094 /nfs/dbraw/zinc/65/30/94/602653094.db2.gz UTPYUMPPTIBPAN-UHFFFAOYSA-N -1 1 385.423 1.485 20 0 GDADMM CC1(C)CN(C2(CNC(=O)N3CC[C@H](NC(=O)[O-])C3)CCCCC2)CCO1 ZINC000739063556 602683638 /nfs/dbraw/zinc/68/36/38/602683638.db2.gz LYESZRVZWJBRKE-HNNXBMFYSA-N -1 1 382.505 1.852 20 0 GDADMM CC(C)[C@H](CNC(=O)N1CCC([C@H](C)NC(=O)[O-])CC1)N1CCN(C)CC1 ZINC000738784157 602695812 /nfs/dbraw/zinc/69/58/12/602695812.db2.gz KCHJGHDUXMIHIR-RDJZCZTQSA-N -1 1 383.537 1.336 20 0 GDADMM O=C([O-])N1CCC(n2cccc2C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000740509198 602700788 /nfs/dbraw/zinc/70/07/88/602700788.db2.gz LJAYMGBBKAXXDN-SJLPKXTDSA-N -1 1 390.484 1.474 20 0 GDADMM CNC(=O)c1ccccc1OS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826073508 607587697 /nfs/dbraw/zinc/58/76/97/607587697.db2.gz VJABNHZQXKFCBS-UHFFFAOYSA-N -1 1 393.812 1.647 20 0 GDADMM CNC(=O)c1ccccc1OS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826073508 607587698 /nfs/dbraw/zinc/58/76/98/607587698.db2.gz VJABNHZQXKFCBS-UHFFFAOYSA-N -1 1 393.812 1.647 20 0 GDADMM C[C@H]1CN(C(=O)NC2CCN(Cc3ccccn3)CC2)CC[C@H]1NC(=O)[O-] ZINC000739136298 602818555 /nfs/dbraw/zinc/81/85/55/602818555.db2.gz RIOPVACHPJFMBM-WMLDXEAASA-N -1 1 375.473 1.734 20 0 GDADMM C[C@H]1CN(C(=O)NCc2ccc(N3CCN(C)CC3)nc2)C[C@H](C)N1C(=O)[O-] ZINC000739138380 602886307 /nfs/dbraw/zinc/88/63/07/602886307.db2.gz JDZHCNHRQVHFQP-GJZGRUSLSA-N -1 1 390.488 1.116 20 0 GDADMM O=C([O-])N1CCCC[C@@H](NC(=O)NC2CCN(Cc3ccncc3)CC2)C1 ZINC000740396613 602889662 /nfs/dbraw/zinc/88/96/62/602889662.db2.gz BEOFLSUTTLBRFR-QGZVFWFLSA-N -1 1 375.473 1.878 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)cc1NC(=O)[O-] ZINC000830211253 602948412 /nfs/dbraw/zinc/94/84/12/602948412.db2.gz KYPFIGSYYBUSRO-INIZCTEOSA-N -1 1 376.457 1.221 20 0 GDADMM CCOc1ccc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000825638743 607598732 /nfs/dbraw/zinc/59/87/32/607598732.db2.gz OMCMWEGCWLWOEA-UHFFFAOYSA-N -1 1 377.401 1.883 20 0 GDADMM O=C(CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)Nc1cccc(F)c1 ZINC000826413060 607602266 /nfs/dbraw/zinc/60/22/66/607602266.db2.gz OUORLULHEVDRCU-UHFFFAOYSA-N -1 1 394.363 1.062 20 0 GDADMM O=C(CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)Nc1cccc(F)c1 ZINC000826413060 607602267 /nfs/dbraw/zinc/60/22/67/607602267.db2.gz OUORLULHEVDRCU-UHFFFAOYSA-N -1 1 394.363 1.062 20 0 GDADMM CN(C)c1cccc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000825880187 607602361 /nfs/dbraw/zinc/60/23/61/607602361.db2.gz XLHMGVNTDSQZTQ-UHFFFAOYSA-N -1 1 376.417 1.550 20 0 GDADMM CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1)c1ccc(F)cc1 ZINC000739600868 603049715 /nfs/dbraw/zinc/04/97/15/603049715.db2.gz BJMXGNGCHIPTAZ-AWEZNQCLSA-N -1 1 389.387 1.668 20 0 GDADMM CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1)c1ccc(F)cc1 ZINC000739600872 603049971 /nfs/dbraw/zinc/04/99/71/603049971.db2.gz BJMXGNGCHIPTAZ-CQSZACIVSA-N -1 1 389.387 1.668 20 0 GDADMM Cc1nnc([C@@H]2CN(C(=O)[C@H](NC(=O)[O-])c3cccc(Cl)c3)CCO2)[nH]1 ZINC000830672024 603075970 /nfs/dbraw/zinc/07/59/70/603075970.db2.gz IKBYEBTZAVPGBS-QWHCGFSZSA-N -1 1 379.804 1.675 20 0 GDADMM COc1ccc(-c2n[nH]c(CNC(=O)N3CC[C@@H](CN(C)C(=O)[O-])C3)n2)cc1 ZINC000739878411 603127933 /nfs/dbraw/zinc/12/79/33/603127933.db2.gz FSMDPVXBWAXNCA-LBPRGKRZSA-N -1 1 388.428 1.622 20 0 GDADMM COc1ccc(-c2nc(CNC(=O)N3CC[C@@H](CN(C)C(=O)[O-])C3)n[nH]2)cc1 ZINC000739878411 603127935 /nfs/dbraw/zinc/12/79/35/603127935.db2.gz FSMDPVXBWAXNCA-LBPRGKRZSA-N -1 1 388.428 1.622 20 0 GDADMM O=C([O-])NC[C@@H]1CCCN(C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)C1 ZINC000740626130 603128585 /nfs/dbraw/zinc/12/85/85/603128585.db2.gz UWIHLXVVFUKMKG-NSHDSACASA-N -1 1 376.392 1.800 20 0 GDADMM O=C([O-])NC[C@@H]1CCCN(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)C1 ZINC000740626130 603128588 /nfs/dbraw/zinc/12/85/88/603128588.db2.gz UWIHLXVVFUKMKG-NSHDSACASA-N -1 1 376.392 1.800 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O)C(=O)[O-] ZINC000828218474 603150847 /nfs/dbraw/zinc/15/08/47/603150847.db2.gz MRTBBQGJEBRJAK-LLVKDONJSA-N -1 1 376.438 1.437 20 0 GDADMM CN1CCN(c2cc(CNC(=O)[C@H]3CCC[C@H](NC(=O)[O-])C3)ccn2)CC1 ZINC000739735653 603241683 /nfs/dbraw/zinc/24/16/83/603241683.db2.gz BUMBXOYYDZUQDX-HOTGVXAUSA-N -1 1 375.473 1.276 20 0 GDADMM Cc1nn(C)c(C)c1CN(C)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826333404 607620169 /nfs/dbraw/zinc/62/01/69/607620169.db2.gz GLUSXPNNUQPMSE-UHFFFAOYSA-N -1 1 395.876 1.691 20 0 GDADMM Cc1nn(C)c(C)c1CN(C)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826333404 607620170 /nfs/dbraw/zinc/62/01/70/607620170.db2.gz GLUSXPNNUQPMSE-UHFFFAOYSA-N -1 1 395.876 1.691 20 0 GDADMM O=C([O-])N[C@H](C(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1)c1cccc(Cl)c1 ZINC000740529772 603305898 /nfs/dbraw/zinc/30/58/98/603305898.db2.gz IYUUABMNFNWFNV-OAGGEKHMSA-N -1 1 381.860 1.706 20 0 GDADMM C[C@@H](O)c1ccc(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000824707505 607627892 /nfs/dbraw/zinc/62/78/92/607627892.db2.gz RSNBCEHDDZZRNZ-SNVBAGLBSA-N -1 1 377.401 1.538 20 0 GDADMM CN1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)[C@H](CNC(=O)[O-])C1 ZINC000828507626 603513013 /nfs/dbraw/zinc/51/30/13/603513013.db2.gz RBCKOZUMIXAMHS-CYBMUJFWSA-N -1 1 377.832 1.754 20 0 GDADMM C[C@H](c1ccccc1)[C@H](CO)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824769839 607636428 /nfs/dbraw/zinc/63/64/28/607636428.db2.gz CCWDSKOOOPCRCE-ABAIWWIYSA-N -1 1 391.428 1.449 20 0 GDADMM CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N(C)CC(C)(C)CNC(=O)[O-] ZINC000828042719 603562250 /nfs/dbraw/zinc/56/22/50/603562250.db2.gz NTMUUBWLKXUQQT-UHFFFAOYSA-N -1 1 379.461 1.605 20 0 GDADMM O=C([O-])NC[C@H](NC(=O)N1CCN(C2CCOCC2)CC1)C1CCCCC1 ZINC000832421863 603573069 /nfs/dbraw/zinc/57/30/69/603573069.db2.gz OVBFRTFNLSBEMQ-KRWDZBQOSA-N -1 1 382.505 1.709 20 0 GDADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N(C)[C@H]1CCN(C(=O)[O-])C1 ZINC000830084815 603582220 /nfs/dbraw/zinc/58/22/20/603582220.db2.gz MGGZRNRVYOLZEF-INIZCTEOSA-N -1 1 375.473 1.963 20 0 GDADMM CCN(C[C@@H]1CCOC1)CN1C(=O)N[C@@]2(CCCC[C@H]2CNC(=O)[O-])C1=O ZINC000827110714 603602787 /nfs/dbraw/zinc/60/27/87/603602787.db2.gz GGAIBAUIEJMISN-SUNYJGFJSA-N -1 1 382.461 1.051 20 0 GDADMM COc1ccc([C@H](CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])N2CCCC2)cc1 ZINC000829309742 603633685 /nfs/dbraw/zinc/63/36/85/603633685.db2.gz DKGKMOMYPXKYOB-XIRDDKMYSA-N -1 1 377.441 1.062 20 0 GDADMM CC[C@H](CCO)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825115172 607642011 /nfs/dbraw/zinc/64/20/11/607642011.db2.gz VCKGKMRRFDFABA-SECBINFHSA-N -1 1 379.364 1.325 20 0 GDADMM O=C([O-])NC1CCN(C(=O)NCC2(CN3CCOCC3)CCCCC2)CC1 ZINC000832375786 603673282 /nfs/dbraw/zinc/67/32/82/603673282.db2.gz LUOSSOLOBJLZBC-UHFFFAOYSA-N -1 1 382.505 1.711 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccnc(N3CCN(C)CC3)c2)[C@H]1CNC(=O)[O-] ZINC000825918040 603692604 /nfs/dbraw/zinc/69/26/04/603692604.db2.gz BKQLASKVIBHYET-HOCLYGCPSA-N -1 1 375.473 1.342 20 0 GDADMM C[C@H]1CN(C(=O)NCCCN2CCN(c3ccccc3)CC2)CCN1C(=O)[O-] 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OTMKTRJCSFXKPX-JTQLQIEISA-N -1 1 395.391 1.891 20 0 GDADMM CCCCOCCOCCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825291334 607656472 /nfs/dbraw/zinc/65/64/72/607656472.db2.gz PNKBIVXRSHASQQ-UHFFFAOYSA-N -1 1 387.437 1.117 20 0 GDADMM COc1ccc(NC(=O)C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)cc1NC(=O)[O-] ZINC000829435139 603909959 /nfs/dbraw/zinc/90/99/59/603909959.db2.gz REDPKJSJKGVSOG-IINYFYTJSA-N -1 1 376.413 1.323 20 0 GDADMM O=C([O-])N1CCN(CCN2C(=O)NC3(CCCC3)C2=O)C2(CCCCC2)C1 ZINC000832031555 603914507 /nfs/dbraw/zinc/91/45/07/603914507.db2.gz RESADZYNJJEEBV-UHFFFAOYSA-N -1 1 378.473 1.850 20 0 GDADMM CC(C)[C@@H]1OCCC[C@@H]1CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824230073 607663818 /nfs/dbraw/zinc/66/38/18/607663818.db2.gz ZIEOOEORVZOUMP-ABAIWWIYSA-N -1 1 383.449 1.735 20 0 GDADMM CC(C)[C@@H]1OCCC[C@@H]1CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824230073 607663820 /nfs/dbraw/zinc/66/38/20/607663820.db2.gz ZIEOOEORVZOUMP-ABAIWWIYSA-N -1 1 383.449 1.735 20 0 GDADMM 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YUIOWKOXLUWBAV-BEFAXECRSA-N -1 1 393.459 1.206 20 0 GDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000833618945 605165077 /nfs/dbraw/zinc/16/50/77/605165077.db2.gz HCTORAZTXSZFJH-HIFRSBDPSA-N -1 1 383.514 1.086 20 0 GDADMM CCc1nnc([C@H]2CN(C(=O)NC[C@H](NC(=O)[O-])c3ccccc3)CCO2)[nH]1 ZINC000827622263 605179731 /nfs/dbraw/zinc/17/97/31/605179731.db2.gz ZGVAKDCHYJLELK-UONOGXRCSA-N -1 1 388.428 1.459 20 0 GDADMM CCc1nc([C@@H]2CN(C(=O)N[C@H]3CCCC[C@@H]3CNC(=O)[O-])CCO2)n[nH]1 ZINC000827620849 605179774 /nfs/dbraw/zinc/17/97/74/605179774.db2.gz NBSURQGTRYIXPF-AGIUHOORSA-N -1 1 380.449 1.276 20 0 GDADMM C[C@H]1CN(CCC(=O)[O-])CCN1CC(=O)Nc1nc2ccc(F)cc2s1 ZINC000833628153 605193047 /nfs/dbraw/zinc/19/30/47/605193047.db2.gz BZIOAXFPNDFALC-NSHDSACASA-N -1 1 380.445 1.855 20 0 GDADMM C[C@H]1CN(C2CC2)C[C@H]1NS(=O)(=O)c1cccc2c1ccnc2C(=O)[O-] ZINC000833620723 605194170 /nfs/dbraw/zinc/19/41/70/605194170.db2.gz DQLDCVLMALDLBJ-XHDPSFHLSA-N -1 1 375.450 1.694 20 0 GDADMM CCN(CC)C(=O)CN1CCCN(CCOc2ccccc2C(=O)[O-])CC1 ZINC000364244527 605203167 /nfs/dbraw/zinc/20/31/67/605203167.db2.gz KESZZFWRTBYSMR-UHFFFAOYSA-N -1 1 377.485 1.640 20 0 GDADMM C[C@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CCN1CCC(=O)[O-] ZINC000833617326 605251154 /nfs/dbraw/zinc/25/11/54/605251154.db2.gz CCGJRUXMUVJPGY-KBPBESRZSA-N -1 1 393.871 1.700 20 0 GDADMM C[C@H](CNC(=O)CO[C@H]1CCCN(C(=O)[O-])C1)N1CCc2ccccc2C1 ZINC000824921463 605257962 /nfs/dbraw/zinc/25/79/62/605257962.db2.gz FQBCVPDYQNUIDN-QAPCUYQASA-N -1 1 375.469 1.708 20 0 GDADMM C[C@@H]1CN(C(=O)[C@H]2CCCCN2C(=O)c2cccs2)CCN1CCC(=O)[O-] ZINC000833617696 605278309 /nfs/dbraw/zinc/27/83/09/605278309.db2.gz GESNPTYDMWCVKR-HUUCEWRRSA-N -1 1 393.509 1.750 20 0 GDADMM CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN(Cc2ccc(OCC(=O)[O-])cc2)C1 ZINC000833389705 605297989 /nfs/dbraw/zinc/29/79/89/605297989.db2.gz TVPGPNXLYSREEQ-MRXNPFEDSA-N -1 1 388.424 1.464 20 0 GDADMM C[C@H](NC(=O)C[C@H]1CSCCN1C(=O)[O-])C1(N2CCOCC2)CCCC1 ZINC000825109603 605316871 /nfs/dbraw/zinc/31/68/71/605316871.db2.gz XRUGCTOADXSDGF-GJZGRUSLSA-N -1 1 385.530 1.622 20 0 GDADMM CC[C@H]1CN(C(=O)c2ccc3c(c2)[nH]c(=S)n(C)c3=O)CC[C@H]1NC(=O)[O-] ZINC000833849850 605343490 /nfs/dbraw/zinc/34/34/90/605343490.db2.gz HODFYSBXXMDVCE-GXFFZTMASA-N -1 1 390.465 1.731 20 0 GDADMM Cc1nc(Cl)ccc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000826326539 607750461 /nfs/dbraw/zinc/75/04/61/607750461.db2.gz UJPWMPNQTUUCME-JTQLQIEISA-N -1 1 399.846 1.364 20 0 GDADMM Cc1nc(Cl)ccc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000826326539 607750462 /nfs/dbraw/zinc/75/04/62/607750462.db2.gz UJPWMPNQTUUCME-JTQLQIEISA-N -1 1 399.846 1.364 20 0 GDADMM O=C([O-])N1CCC[C@H]1C(=O)NC[C@H]1CCCN(CN2C(=O)CC23CCC3)C1 ZINC000834024968 605410352 /nfs/dbraw/zinc/41/03/52/605410352.db2.gz GPGNSDZSTJHHFW-CABCVRRESA-N -1 1 378.473 1.070 20 0 GDADMM C[C@@H](NC(=O)C(=O)Nc1cnn(-c2ccncc2)c1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000825067034 605492318 /nfs/dbraw/zinc/49/23/18/605492318.db2.gz QZVZBIPKJSNYKB-CHWSQXEVSA-N -1 1 386.412 1.101 20 0 GDADMM C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000825825273 605504128 /nfs/dbraw/zinc/50/41/28/605504128.db2.gz ZCKQJCAPNBLJBZ-HOCLYGCPSA-N -1 1 390.488 1.164 20 0 GDADMM Cc1cc(C[C@H](C)NC(=O)C(=O)Nc2ccc3c(c2)CN(C(=O)[O-])CC3)n[nH]1 ZINC000830031461 605504453 /nfs/dbraw/zinc/50/44/53/605504453.db2.gz VJTKMYSZZSUKKN-NSHDSACASA-N -1 1 385.424 1.440 20 0 GDADMM COc1cccc2[nH]cc(CCNC(=O)N3CCN(CCC(=O)[O-])C[C@@H]3C)c21 ZINC000833735989 605516349 /nfs/dbraw/zinc/51/63/49/605516349.db2.gz QIRBVWGIUIQHHJ-AWEZNQCLSA-N -1 1 388.468 1.909 20 0 GDADMM O=C([O-])N1CCC(NC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)CC1 ZINC000831598309 605566750 /nfs/dbraw/zinc/56/67/50/605566750.db2.gz FFMZKNZFRAUICQ-WMZOPIPTSA-N -1 1 390.484 1.311 20 0 GDADMM CC(C)[C@H](CNC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO)NC(=O)[O-] ZINC000824116524 605625067 /nfs/dbraw/zinc/62/50/67/605625067.db2.gz LKJFBGGRMMKOJN-BZSNNMDCSA-N -1 1 392.500 1.461 20 0 GDADMM C[C@@H](OC(=O)c1cnc(C(=O)[O-])cn1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000833536432 605640923 /nfs/dbraw/zinc/64/09/23/605640923.db2.gz OWSOZTUORFNHKH-HIFRSBDPSA-N -1 1 398.419 1.111 20 0 GDADMM O=C([O-])N1CCC[C@@H](C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)C1 ZINC000834020689 605664671 /nfs/dbraw/zinc/66/46/71/605664671.db2.gz WLMQOAVOUZLBAV-KZNAEPCWSA-N -1 1 375.469 1.376 20 0 GDADMM CCCc1nnc([C@@H]2CN(C(=O)C[C@H]3CSCCN3C(=O)[O-])CCO2)[nH]1 ZINC000826954557 605664805 /nfs/dbraw/zinc/66/48/05/605664805.db2.gz RPXLADLXDVYHDX-RYUDHWBXSA-N -1 1 383.474 1.143 20 0 GDADMM CCCc1n[nH]c([C@@H]2CN(C(=O)C[C@H]3CSCCN3C(=O)[O-])CCO2)n1 ZINC000826954557 605664807 /nfs/dbraw/zinc/66/48/07/605664807.db2.gz RPXLADLXDVYHDX-RYUDHWBXSA-N -1 1 383.474 1.143 20 0 GDADMM O=C([O-])NC1(CC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)CCC1 ZINC000834155708 605682232 /nfs/dbraw/zinc/68/22/32/605682232.db2.gz PIEDTBGMPHMNPN-IRXDYDNUSA-N -1 1 375.469 1.566 20 0 GDADMM O=C([O-])NC1CCC(C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000834167251 605683398 /nfs/dbraw/zinc/68/33/98/605683398.db2.gz BMCKJUYEKKVBRP-JWHDQAAXSA-N -1 1 389.496 1.812 20 0 GDADMM COC(=O)[C@@H]1CCN(CCCOc2ccc(S(C)(=O)=O)cc2)[C@H](C(=O)[O-])C1 ZINC000833705577 605687722 /nfs/dbraw/zinc/68/77/22/605687722.db2.gz DGZXUCKFUKXSIE-CJNGLKHVSA-N -1 1 399.465 1.197 20 0 GDADMM Cc1nc(S(=O)(=O)NC[C@H](NC(=O)[O-])C(C)C)sc1Br ZINC000833915703 605783793 /nfs/dbraw/zinc/78/37/93/605783793.db2.gz JPQLUEZVHUCLRO-ZETCQYMHSA-N -1 1 386.293 1.785 20 0 GDADMM CC(C)(C)OC(=O)N1CCCC[C@@]1(C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000833440225 605856101 /nfs/dbraw/zinc/85/61/01/605856101.db2.gz VNYSAPNKPSSROM-UGSOOPFHSA-N -1 1 380.445 1.701 20 0 GDADMM O=C([O-])N1CCO[C@@H](CC(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)C1 ZINC000834119741 605971654 /nfs/dbraw/zinc/97/16/54/605971654.db2.gz STBYNSKUZKADRQ-GJZGRUSLSA-N -1 1 385.424 1.904 20 0 GDADMM Cn1c(=O)cc(CN[C@@H](CNC(=O)[O-])c2ccc3ccccc3c2)n(C)c1=O ZINC000833942360 605973627 /nfs/dbraw/zinc/97/36/27/605973627.db2.gz YZONVCZLTMAQRZ-KRWDZBQOSA-N -1 1 382.420 1.336 20 0 GDADMM CC(=O)Nc1cccc(NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000819826022 606133820 /nfs/dbraw/zinc/13/38/20/606133820.db2.gz CVOQRXKKFMJGTE-UHFFFAOYSA-N -1 1 386.393 1.682 20 0 GDADMM CC(=O)Nc1cccc(NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000819826022 606133821 /nfs/dbraw/zinc/13/38/21/606133821.db2.gz CVOQRXKKFMJGTE-UHFFFAOYSA-N -1 1 386.393 1.682 20 0 GDADMM Cc1cccc(C)c1-n1nnnc1COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822289387 606137614 /nfs/dbraw/zinc/13/76/14/606137614.db2.gz WPGCPLSZODQEQY-UHFFFAOYSA-N -1 1 382.409 1.878 20 0 GDADMM Cc1cccc(C)c1-n1nnnc1COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822289387 606137616 /nfs/dbraw/zinc/13/76/16/606137616.db2.gz WPGCPLSZODQEQY-UHFFFAOYSA-N -1 1 382.409 1.878 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@]2(CCCOC2)C1 ZINC000823600620 606146894 /nfs/dbraw/zinc/14/68/94/606146894.db2.gz JATQGMBVXHHTMK-INIZCTEOSA-N -1 1 381.433 1.587 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N(Cc2cccs2)C[C@H]2CCCO2)n1 ZINC000822604961 606160201 /nfs/dbraw/zinc/16/02/01/606160201.db2.gz RXIFBKFOEDAHIT-LLVKDONJSA-N -1 1 388.457 1.875 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N(Cc2cccs2)C[C@H]2CCCO2)n1 ZINC000822604961 606160203 /nfs/dbraw/zinc/16/02/03/606160203.db2.gz RXIFBKFOEDAHIT-LLVKDONJSA-N -1 1 388.457 1.875 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@H]2c2cccc3c2OCCO3)n1 ZINC000822609617 606161197 /nfs/dbraw/zinc/16/11/97/606161197.db2.gz RYSXAGIAMGIOAX-ZDUSSCGKSA-N -1 1 396.411 1.740 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@H]2c2cccc3c2OCCO3)n1 ZINC000822609617 606161199 /nfs/dbraw/zinc/16/11/99/606161199.db2.gz RYSXAGIAMGIOAX-ZDUSSCGKSA-N -1 1 396.411 1.740 20 0 GDADMM C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820563992 606165324 /nfs/dbraw/zinc/16/53/24/606165324.db2.gz XBBHWFFIAULRNE-JGFSIVIASA-N -1 1 388.457 1.563 20 0 GDADMM C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820563992 606165325 /nfs/dbraw/zinc/16/53/25/606165325.db2.gz XBBHWFFIAULRNE-JGFSIVIASA-N -1 1 388.457 1.563 20 0 GDADMM CN1C[C@H](NC(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)CC1=O ZINC000821622131 606174487 /nfs/dbraw/zinc/17/44/87/606174487.db2.gz SWMBSQUZZKPJEA-CYBMUJFWSA-N -1 1 397.464 1.625 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)n1 ZINC000822609326 606195662 /nfs/dbraw/zinc/19/56/62/606195662.db2.gz MHSJPVQIGPDGLU-PWSUYJOCSA-N -1 1 388.457 1.782 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)n1 ZINC000822609326 606195665 /nfs/dbraw/zinc/19/56/65/606195665.db2.gz MHSJPVQIGPDGLU-PWSUYJOCSA-N -1 1 388.457 1.782 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OCC[C@@H]1CCCC1=O ZINC000822459112 606227215 /nfs/dbraw/zinc/22/72/15/606227215.db2.gz MVHLSAOPJGOJPU-ZDUSSCGKSA-N -1 1 397.439 1.761 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OCC[C@@H]1CCCC1=O ZINC000822459112 606227216 /nfs/dbraw/zinc/22/72/16/606227216.db2.gz MVHLSAOPJGOJPU-ZDUSSCGKSA-N -1 1 397.439 1.761 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000823294442 606295819 /nfs/dbraw/zinc/29/58/19/606295819.db2.gz AKVRFBGVVKKRGA-ZDUSSCGKSA-N -1 1 382.355 1.703 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])C1CCN(C(=O)c2cccnc2)CC1 ZINC000823294804 606298852 /nfs/dbraw/zinc/29/88/52/606298852.db2.gz RWJWVWKFJQEEOS-UHFFFAOYSA-N -1 1 393.407 1.458 20 0 GDADMM O=C(OC[C@H]1CCCN(C(=O)c2ccccc2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823396818 606400268 /nfs/dbraw/zinc/40/02/68/606400268.db2.gz NVSQZQFANMZWOW-AWEZNQCLSA-N -1 1 392.419 1.971 20 0 GDADMM O=C(OC[C@H]1CCCN(C(=O)c2ccccc2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823396818 606400270 /nfs/dbraw/zinc/40/02/70/606400270.db2.gz NVSQZQFANMZWOW-AWEZNQCLSA-N -1 1 392.419 1.971 20 0 GDADMM O=C1C[C@@H](Nc2nccnc2-c2nnn[n-]2)CN1c1cccc(C(F)(F)F)c1 ZINC000823521762 606428036 /nfs/dbraw/zinc/42/80/36/606428036.db2.gz ZYYCFBVFTVQJIP-SNVBAGLBSA-N -1 1 390.329 1.893 20 0 GDADMM O=C1C[C@@H](Nc2nccnc2-c2nn[n-]n2)CN1c1cccc(C(F)(F)F)c1 ZINC000823521762 606428038 /nfs/dbraw/zinc/42/80/38/606428038.db2.gz ZYYCFBVFTVQJIP-SNVBAGLBSA-N -1 1 390.329 1.893 20 0 GDADMM Cc1cccc2c(CCNS(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)c[nH]c21 ZINC000822333063 606436133 /nfs/dbraw/zinc/43/61/33/606436133.db2.gz VPKCGJHXJVUCMX-UHFFFAOYSA-N -1 1 383.437 1.572 20 0 GDADMM Cc1cccc2c(CCNS(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)c[nH]c21 ZINC000822333063 606436135 /nfs/dbraw/zinc/43/61/35/606436135.db2.gz VPKCGJHXJVUCMX-UHFFFAOYSA-N -1 1 383.437 1.572 20 0 GDADMM O=C(NCCNc1cc(-c2nn[n-]n2)nc2ccccc21)c1ccc(O)cc1 ZINC000823201828 606455780 /nfs/dbraw/zinc/45/57/80/606455780.db2.gz LVCYSNFLFQRPPG-UHFFFAOYSA-N -1 1 375.392 1.962 20 0 GDADMM COc1ccc(C[C@@H](CO)CNc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1O ZINC000821790937 606468673 /nfs/dbraw/zinc/46/86/73/606468673.db2.gz WVBRDOLBMMBALU-LLVKDONJSA-N -1 1 390.831 1.892 20 0 GDADMM COc1ccc(C[C@@H](CO)CNc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1O ZINC000821790937 606468674 /nfs/dbraw/zinc/46/86/74/606468674.db2.gz WVBRDOLBMMBALU-LLVKDONJSA-N -1 1 390.831 1.892 20 0 GDADMM NC(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000822884978 606521915 /nfs/dbraw/zinc/52/19/15/606521915.db2.gz FXBBZOAOMQTXHK-UHFFFAOYSA-N -1 1 383.437 1.880 20 0 GDADMM NC(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000822884978 606521917 /nfs/dbraw/zinc/52/19/17/606521917.db2.gz FXBBZOAOMQTXHK-UHFFFAOYSA-N -1 1 383.437 1.880 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000823483786 606522142 /nfs/dbraw/zinc/52/21/42/606522142.db2.gz NERMLLCABCOXCL-LLVKDONJSA-N -1 1 380.437 1.991 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000823483786 606522144 /nfs/dbraw/zinc/52/21/44/606522144.db2.gz NERMLLCABCOXCL-LLVKDONJSA-N -1 1 380.437 1.991 20 0 GDADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1NS(C)(=O)=O ZINC000820396806 606526055 /nfs/dbraw/zinc/52/60/55/606526055.db2.gz IHPBYWHZQYYHGF-SECBINFHSA-N -1 1 392.466 1.791 20 0 GDADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1NS(C)(=O)=O ZINC000820396806 606526057 /nfs/dbraw/zinc/52/60/57/606526057.db2.gz IHPBYWHZQYYHGF-SECBINFHSA-N -1 1 392.466 1.791 20 0 GDADMM CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820076807 606546674 /nfs/dbraw/zinc/54/66/74/606546674.db2.gz TWDGQSLYLUUKJX-JTQLQIEISA-N -1 1 380.499 1.606 20 0 GDADMM CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820076807 606546676 /nfs/dbraw/zinc/54/66/76/606546676.db2.gz TWDGQSLYLUUKJX-JTQLQIEISA-N -1 1 380.499 1.606 20 0 GDADMM CCN(Cc1ccccn1)C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821230390 606548103 /nfs/dbraw/zinc/54/81/03/606548103.db2.gz JNGYCXSXYLMTGN-UHFFFAOYSA-N -1 1 381.440 1.960 20 0 GDADMM O=C(NCc1ccnc(OC2CCOCC2)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823266015 606562655 /nfs/dbraw/zinc/56/26/55/606562655.db2.gz JWCGQTJJUOMLIC-UHFFFAOYSA-N -1 1 386.437 1.811 20 0 GDADMM O=C(NCc1ccnc(OC2CCOCC2)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823266015 606562657 /nfs/dbraw/zinc/56/26/57/606562657.db2.gz JWCGQTJJUOMLIC-UHFFFAOYSA-N -1 1 386.437 1.811 20 0 GDADMM CNC(=O)Cn1ccc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)s3)cc21 ZINC000821633900 606574084 /nfs/dbraw/zinc/57/40/84/606574084.db2.gz JDNJLWNHLTXUMG-UHFFFAOYSA-N -1 1 381.421 1.881 20 0 GDADMM CNC(=O)Cn1ccc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)s3)cc21 ZINC000821633900 606574086 /nfs/dbraw/zinc/57/40/86/606574086.db2.gz JDNJLWNHLTXUMG-UHFFFAOYSA-N -1 1 381.421 1.881 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC[C@@H]2CCCO[C@@H]2C(C)C)cc1-c1nn[n-]n1 ZINC000821978414 606585298 /nfs/dbraw/zinc/58/52/98/606585298.db2.gz MGBVFYXTPWTIGC-GXFFZTMASA-N -1 1 392.485 1.870 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC(NC(=O)c3ccccc3)CC2)n1 ZINC000822609860 606595980 /nfs/dbraw/zinc/59/59/80/606595980.db2.gz XIYRKZRDJSLFLD-UHFFFAOYSA-N -1 1 395.427 1.027 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC(NC(=O)c3ccccc3)CC2)n1 ZINC000822609860 606595983 /nfs/dbraw/zinc/59/59/83/606595983.db2.gz XIYRKZRDJSLFLD-UHFFFAOYSA-N -1 1 395.427 1.027 20 0 GDADMM c1ccc(Oc2ncccc2-c2nn[n-]n2)c(NCc2nnnn2C2CC2)c1 ZINC000823792023 606597885 /nfs/dbraw/zinc/59/78/85/606597885.db2.gz NAZQQXNCZMHDAL-UHFFFAOYSA-N -1 1 376.384 1.988 20 0 GDADMM COc1cc(OC)cc([C@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821723932 606598630 /nfs/dbraw/zinc/59/86/30/606598630.db2.gz NCXORDRPZCBRFN-GFCCVEGCSA-N -1 1 375.410 1.409 20 0 GDADMM COc1cc(OC)cc([C@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821723932 606598631 /nfs/dbraw/zinc/59/86/31/606598631.db2.gz NCXORDRPZCBRFN-GFCCVEGCSA-N -1 1 375.410 1.409 20 0 GDADMM CC(C)C(=O)Nc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000820011394 606634214 /nfs/dbraw/zinc/63/42/14/606634214.db2.gz LJHVGBPNQGVICP-UHFFFAOYSA-N -1 1 388.409 1.624 20 0 GDADMM CC(C)C(=O)Nc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000820011394 606634215 /nfs/dbraw/zinc/63/42/15/606634215.db2.gz LJHVGBPNQGVICP-UHFFFAOYSA-N -1 1 388.409 1.624 20 0 GDADMM COCCOC1CN(C(=O)c2cc(C3CC3)nc(SC)c2-c2nn[n-]n2)C1 ZINC000821691908 606640138 /nfs/dbraw/zinc/64/01/38/606640138.db2.gz JNPIKLGRBHUOBH-UHFFFAOYSA-N -1 1 390.469 1.348 20 0 GDADMM Cc1ccc(C)n1-c1c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cnn1C ZINC000822231655 606652550 /nfs/dbraw/zinc/65/25/50/606652550.db2.gz BUQFCXFGRYULSE-UHFFFAOYSA-N -1 1 378.396 1.760 20 0 GDADMM Cc1ccc(C)n1-c1c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cnn1C ZINC000822231655 606652551 /nfs/dbraw/zinc/65/25/51/606652551.db2.gz BUQFCXFGRYULSE-UHFFFAOYSA-N -1 1 378.396 1.760 20 0 GDADMM COc1ccc(CCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)c(OC)c1OC ZINC000821789916 606652799 /nfs/dbraw/zinc/65/27/99/606652799.db2.gz BXAGIBVVYLCGLN-UHFFFAOYSA-N -1 1 399.407 1.964 20 0 GDADMM COc1ccc(CCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)c(OC)c1OC ZINC000821789916 606652800 /nfs/dbraw/zinc/65/28/00/606652800.db2.gz BXAGIBVVYLCGLN-UHFFFAOYSA-N -1 1 399.407 1.964 20 0 GDADMM CC[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1nnc2n1CCCCC2 ZINC000820921311 606657943 /nfs/dbraw/zinc/65/79/43/606657943.db2.gz YBKIZNIJJLHOFB-LLVKDONJSA-N -1 1 385.436 1.191 20 0 GDADMM CC[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1nnc2n1CCCCC2 ZINC000820921311 606657944 /nfs/dbraw/zinc/65/79/44/606657944.db2.gz YBKIZNIJJLHOFB-LLVKDONJSA-N -1 1 385.436 1.191 20 0 GDADMM CCOc1ccc(CN2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)nc1 ZINC000821422312 606703816 /nfs/dbraw/zinc/70/38/16/606703816.db2.gz SZNRJBNESBRYNH-UHFFFAOYSA-N -1 1 396.455 1.848 20 0 GDADMM CCO[C@H](CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)C(C)C ZINC000821351012 606738043 /nfs/dbraw/zinc/73/80/43/606738043.db2.gz IRRRXCYVHCULAL-UONOGXRCSA-N -1 1 388.476 1.145 20 0 GDADMM CCO[C@H](CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)C(C)C ZINC000821351012 606738045 /nfs/dbraw/zinc/73/80/45/606738045.db2.gz IRRRXCYVHCULAL-UONOGXRCSA-N -1 1 388.476 1.145 20 0 GDADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1noc(-c2ccccc2)n1 ZINC000820379779 606771585 /nfs/dbraw/zinc/77/15/85/606771585.db2.gz HADATKKCRJNVPE-SECBINFHSA-N -1 1 380.372 1.533 20 0 GDADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1noc(-c2ccccc2)n1 ZINC000820379779 606771587 /nfs/dbraw/zinc/77/15/87/606771587.db2.gz HADATKKCRJNVPE-SECBINFHSA-N -1 1 380.372 1.533 20 0 GDADMM CC[C@@H]1CCC[C@H](NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)C1 ZINC000820971791 606794495 /nfs/dbraw/zinc/79/44/95/606794495.db2.gz GBTNZKMLRSBVHE-KFWWJZLASA-N -1 1 399.503 1.846 20 0 GDADMM CC[C@@H]1CCC[C@H](NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)C1 ZINC000820971791 606794496 /nfs/dbraw/zinc/79/44/96/606794496.db2.gz GBTNZKMLRSBVHE-KFWWJZLASA-N -1 1 399.503 1.846 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCOc2ncc(Cl)cc2Cl)n1 ZINC000822620509 606806175 /nfs/dbraw/zinc/80/61/75/606806175.db2.gz UMBDXJPTLYWBGO-UHFFFAOYSA-N -1 1 398.214 1.503 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCOc2ncc(Cl)cc2Cl)n1 ZINC000822620509 606806177 /nfs/dbraw/zinc/80/61/77/606806177.db2.gz UMBDXJPTLYWBGO-UHFFFAOYSA-N -1 1 398.214 1.503 20 0 GDADMM CC(C)c1cccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)n1 ZINC000820191961 606809142 /nfs/dbraw/zinc/80/91/42/606809142.db2.gz CBYQFCYQNHAIAG-CYBMUJFWSA-N -1 1 393.455 1.526 20 0 GDADMM CC(C)c1cccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)n1 ZINC000820191961 606809143 /nfs/dbraw/zinc/80/91/43/606809143.db2.gz CBYQFCYQNHAIAG-CYBMUJFWSA-N -1 1 393.455 1.526 20 0 GDADMM CCOC(=O)c1sc([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)nc2)nc1C ZINC000821345950 606814291 /nfs/dbraw/zinc/81/42/91/606814291.db2.gz BFOGOVNMIJDEFJ-VIFPVBQESA-N -1 1 387.425 1.694 20 0 GDADMM CCOC(=O)c1sc([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)nc2)nc1C ZINC000821345950 606814293 /nfs/dbraw/zinc/81/42/93/606814293.db2.gz BFOGOVNMIJDEFJ-VIFPVBQESA-N -1 1 387.425 1.694 20 0 GDADMM COc1ccc(C[C@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)s2)cc1O ZINC000821789865 606817172 /nfs/dbraw/zinc/81/71/72/606817172.db2.gz BAGMMWVDEFMKGP-NSHDSACASA-N -1 1 389.437 1.223 20 0 GDADMM COc1ccc(C[C@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)s2)cc1O ZINC000821789865 606817174 /nfs/dbraw/zinc/81/71/74/606817174.db2.gz BAGMMWVDEFMKGP-NSHDSACASA-N -1 1 389.437 1.223 20 0 GDADMM C[C@@H](Cc1ccccc1)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820298802 606819493 /nfs/dbraw/zinc/81/94/93/606819493.db2.gz AKLXZPCUOZPEIP-GJZGRUSLSA-N -1 1 392.467 1.573 20 0 GDADMM C[C@@H](Cc1ccccc1)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820298802 606819495 /nfs/dbraw/zinc/81/94/95/606819495.db2.gz AKLXZPCUOZPEIP-GJZGRUSLSA-N -1 1 392.467 1.573 20 0 GDADMM Cc1ccccc1CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000822352363 606820715 /nfs/dbraw/zinc/82/07/15/606820715.db2.gz XUZQATPUPJRBJE-CQSZACIVSA-N -1 1 378.440 1.245 20 0 GDADMM Cc1ccccc1CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000822352363 606820717 /nfs/dbraw/zinc/82/07/17/606820717.db2.gz XUZQATPUPJRBJE-CQSZACIVSA-N -1 1 378.440 1.245 20 0 GDADMM CC(C)c1cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)on1 ZINC000820187610 606821123 /nfs/dbraw/zinc/82/11/23/606821123.db2.gz JOIPFJAZGKCAII-LLVKDONJSA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)on1 ZINC000820187610 606821124 /nfs/dbraw/zinc/82/11/24/606821124.db2.gz JOIPFJAZGKCAII-LLVKDONJSA-N -1 1 383.416 1.119 20 0 GDADMM C[C@@H](CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)c1ccccc1 ZINC000820220259 606821402 /nfs/dbraw/zinc/82/14/02/606821402.db2.gz PVLRLJJXSNNIER-GJZGRUSLSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@@H](CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)c1ccccc1 ZINC000820220259 606821404 /nfs/dbraw/zinc/82/14/04/606821404.db2.gz PVLRLJJXSNNIER-GJZGRUSLSA-N -1 1 392.467 1.888 20 0 GDADMM Cc1c(F)cccc1NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000822035148 606836511 /nfs/dbraw/zinc/83/65/11/606836511.db2.gz QZUPDELILSTSCA-NSHDSACASA-N -1 1 397.418 1.847 20 0 GDADMM Cc1c(F)cccc1NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000822035148 606836513 /nfs/dbraw/zinc/83/65/13/606836513.db2.gz QZUPDELILSTSCA-NSHDSACASA-N -1 1 397.418 1.847 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@]2(CCCOC2)C1 ZINC000823607839 606846270 /nfs/dbraw/zinc/84/62/70/606846270.db2.gz YBZWNDPIGVCKFU-INIZCTEOSA-N -1 1 381.433 1.587 20 0 GDADMM COCc1ccccc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821696004 606855498 /nfs/dbraw/zinc/85/54/98/606855498.db2.gz RHEWUKQWWIMGAI-ZDUSSCGKSA-N -1 1 394.439 1.154 20 0 GDADMM COCc1ccccc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821696004 606855499 /nfs/dbraw/zinc/85/54/99/606855499.db2.gz RHEWUKQWWIMGAI-ZDUSSCGKSA-N -1 1 394.439 1.154 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCC1(C)CCCCC1 ZINC000820789203 606872357 /nfs/dbraw/zinc/87/23/57/606872357.db2.gz XNTIDNLKTOTPDK-AWEZNQCLSA-N -1 1 399.503 1.847 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCC1(C)CCCCC1 ZINC000820789203 606872359 /nfs/dbraw/zinc/87/23/59/606872359.db2.gz XNTIDNLKTOTPDK-AWEZNQCLSA-N -1 1 399.503 1.847 20 0 GDADMM COc1ccc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)cc1F ZINC000821817918 606884803 /nfs/dbraw/zinc/88/48/03/606884803.db2.gz BRDQBHAORROGAB-UHFFFAOYSA-N -1 1 399.354 1.771 20 0 GDADMM O=S(=O)(NCC1(Cc2ccccc2)CCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823573596 606896069 /nfs/dbraw/zinc/89/60/69/606896069.db2.gz XJCGWLUQWDYNQF-UHFFFAOYSA-N -1 1 384.465 1.953 20 0 GDADMM O=S(=O)(NCC1(Cc2ccccc2)CCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823573596 606896070 /nfs/dbraw/zinc/89/60/70/606896070.db2.gz XJCGWLUQWDYNQF-UHFFFAOYSA-N -1 1 384.465 1.953 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000823482863 606937353 /nfs/dbraw/zinc/93/73/53/606937353.db2.gz AYVRGEDQFHRZPI-ZIAGYGMSSA-N -1 1 385.449 1.893 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000823482863 606937354 /nfs/dbraw/zinc/93/73/54/606937354.db2.gz AYVRGEDQFHRZPI-ZIAGYGMSSA-N -1 1 385.449 1.893 20 0 GDADMM COc1cc(OC)cc(N2CCCN(c3nccnc3-c3nnn[n-]3)CC2)c1 ZINC000821724328 606949221 /nfs/dbraw/zinc/94/92/21/606949221.db2.gz SMEUWWGQQFATFE-UHFFFAOYSA-N -1 1 382.428 1.391 20 0 GDADMM COc1cc(OC)cc(N2CCCN(c3nccnc3-c3nn[n-]n3)CC2)c1 ZINC000821724328 606949222 /nfs/dbraw/zinc/94/92/22/606949222.db2.gz SMEUWWGQQFATFE-UHFFFAOYSA-N -1 1 382.428 1.391 20 0 GDADMM Cc1nn(C)cc1[C@H]1CCCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822496213 607051705 /nfs/dbraw/zinc/05/17/05/607051705.db2.gz FFXFFCNUVULRLG-OAHLLOKOSA-N -1 1 391.432 1.574 20 0 GDADMM CC(C)C(=O)Nc1nc(CC(=O)Nc2ncc(-c3nnn[n-]3)s2)cs1 ZINC000820011775 607109325 /nfs/dbraw/zinc/10/93/25/607109325.db2.gz QBDRCBPFLTWPBW-UHFFFAOYSA-N -1 1 378.443 1.555 20 0 GDADMM CC(C)C(=O)Nc1nc(CC(=O)Nc2ncc(-c3nn[n-]n3)s2)cs1 ZINC000820011775 607109326 /nfs/dbraw/zinc/10/93/26/607109326.db2.gz QBDRCBPFLTWPBW-UHFFFAOYSA-N -1 1 378.443 1.555 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@H]2CCCc2ccccc2)n(C)c1=O ZINC000822601439 607130124 /nfs/dbraw/zinc/13/01/24/607130124.db2.gz ZUERNZRAIDDEJD-OAHLLOKOSA-N -1 1 395.467 1.256 20 0 GDADMM Cc1nn(Cc2nc(-c3ccc(F)c(F)c3)no2)c(=O)c(-c2nn[n-]n2)c1C ZINC000822505490 607133017 /nfs/dbraw/zinc/13/30/17/607133017.db2.gz LSVZELSTRMVQOW-UHFFFAOYSA-N -1 1 386.322 1.417 20 0 GDADMM CCS[C@@H](C)c1noc(Cn2cc(C(=O)OC)cc(-c3nn[n-]n3)c2=O)n1 ZINC000821449161 607160929 /nfs/dbraw/zinc/16/09/29/607160929.db2.gz QMQIVQAJVNZERB-QMMMGPOBSA-N -1 1 391.413 1.060 20 0 GDADMM COCCOc1ccccc1N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000821693528 607174877 /nfs/dbraw/zinc/17/48/77/607174877.db2.gz CKFMMQHBXYEIQC-UHFFFAOYSA-N -1 1 382.428 1.009 20 0 GDADMM COCCOc1ccccc1N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000821693528 607174878 /nfs/dbraw/zinc/17/48/78/607174878.db2.gz CKFMMQHBXYEIQC-UHFFFAOYSA-N -1 1 382.428 1.009 20 0 GDADMM CCOc1cccc2cc([C@@H](C)NC(=O)Cn3cnc(-c4nn[n-]n4)n3)oc21 ZINC000821431582 607205924 /nfs/dbraw/zinc/20/59/24/607205924.db2.gz WLYBAQSWPCWJPZ-SNVBAGLBSA-N -1 1 382.384 1.481 20 0 GDADMM Cc1nc(-c2ccc([C@@H](C)NC(=O)Cn3cnc(-c4nn[n-]n4)n3)cc2)cs1 ZINC000822419625 607206617 /nfs/dbraw/zinc/20/66/17/607206617.db2.gz RPLXCCINZHJIFL-SNVBAGLBSA-N -1 1 395.452 1.768 20 0 GDADMM C[C@H](COc1ccccc1C(F)(F)F)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820293174 607210139 /nfs/dbraw/zinc/21/01/39/607210139.db2.gz IBAZUYRXDWCFOQ-SECBINFHSA-N -1 1 396.333 1.061 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1ccc(OC2CCCCC2)cc1 ZINC000823131740 607212975 /nfs/dbraw/zinc/21/29/75/607212975.db2.gz MYGCFLCGPFDRPF-UHFFFAOYSA-N -1 1 382.428 1.486 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000823127182 607213846 /nfs/dbraw/zinc/21/38/46/607213846.db2.gz WAPQWPNHQWXSQN-GFCCVEGCSA-N -1 1 392.345 1.841 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCc2ccccc2[C@H]1c1ccccc1 ZINC000823127109 607215590 /nfs/dbraw/zinc/21/55/90/607215590.db2.gz UAEAYYSFNYULEI-GOSISDBHSA-N -1 1 386.419 1.633 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000823127123 607217252 /nfs/dbraw/zinc/21/72/52/607217252.db2.gz UEJFXCXDJZDQTD-JTQLQIEISA-N -1 1 379.211 1.569 20 0 GDADMM COc1cccc(C=C2CCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)c1 ZINC000821862585 607223769 /nfs/dbraw/zinc/22/37/69/607223769.db2.gz DCHYDFKPTQJDLB-UHFFFAOYSA-N -1 1 380.412 1.173 20 0 GDADMM Cc1nn(C)c(C)c1[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)C(F)(F)F ZINC000822486465 607239229 /nfs/dbraw/zinc/23/92/29/607239229.db2.gz KTOVTTFZJMNLMG-LBPRGKRZSA-N -1 1 380.334 1.645 20 0 GDADMM Cc1nn(C)c(C)c1[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)C(F)(F)F ZINC000822486465 607239230 /nfs/dbraw/zinc/23/92/30/607239230.db2.gz KTOVTTFZJMNLMG-LBPRGKRZSA-N -1 1 380.334 1.645 20 0 GDADMM COC[C@@H](OC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)C(F)(F)F ZINC000826151951 607780030 /nfs/dbraw/zinc/78/00/30/607780030.db2.gz MUKGFYXAWYKQIC-SNVBAGLBSA-N -1 1 389.334 1.637 20 0 GDADMM COc1cccnc1N(C)C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000826220950 607803762 /nfs/dbraw/zinc/80/37/62/607803762.db2.gz HXXWQLBYOLNZTR-UHFFFAOYSA-N -1 1 383.412 1.583 20 0 GDADMM O=S(=O)(NC[C@@H](CO)Cc1ccccc1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826489466 607906528 /nfs/dbraw/zinc/90/65/28/607906528.db2.gz QJGFWFZUBDNRSW-ZDUSSCGKSA-N -1 1 391.428 1.135 20 0 GDADMM O=S(=O)(NC[C@@H](CO)Cc1ccccc1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826489466 607906529 /nfs/dbraw/zinc/90/65/29/607906529.db2.gz QJGFWFZUBDNRSW-ZDUSSCGKSA-N -1 1 391.428 1.135 20 0 GDADMM O=S(=O)(NCCc1cnc(C2CC2)nc1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826491370 607907353 /nfs/dbraw/zinc/90/73/53/607907353.db2.gz GPOHBVMJFWNSMC-UHFFFAOYSA-N -1 1 389.416 1.194 20 0 GDADMM O=S(=O)(NCCc1cnc(C2CC2)nc1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826491370 607907354 /nfs/dbraw/zinc/90/73/54/607907354.db2.gz GPOHBVMJFWNSMC-UHFFFAOYSA-N -1 1 389.416 1.194 20 0 GDADMM Cn1ccnc1[C@@H]1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000826364212 607907521 /nfs/dbraw/zinc/90/75/21/607907521.db2.gz OJSHRPIUNPUGOL-SNVBAGLBSA-N -1 1 393.860 1.432 20 0 GDADMM Cn1ccnc1[C@@H]1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000826364212 607907522 /nfs/dbraw/zinc/90/75/22/607907522.db2.gz OJSHRPIUNPUGOL-SNVBAGLBSA-N -1 1 393.860 1.432 20 0 GDADMM CC[C@H](NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C)[C@@H]1CCCO1 ZINC000825133562 607912324 /nfs/dbraw/zinc/91/23/24/607912324.db2.gz NTVKYMOVSIKFKG-HOTGVXAUSA-N -1 1 398.471 1.533 20 0 GDADMM CC[C@H](NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C)[C@@H]1CCCO1 ZINC000825133562 607912325 /nfs/dbraw/zinc/91/23/25/607912325.db2.gz NTVKYMOVSIKFKG-HOTGVXAUSA-N -1 1 398.471 1.533 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CC=C(C(F)(F)F)CC1 ZINC000826496206 607938591 /nfs/dbraw/zinc/93/85/91/607938591.db2.gz OKGJHJVXASFQPE-UHFFFAOYSA-N -1 1 377.323 1.889 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CC=C(C(F)(F)F)CC1 ZINC000826496206 607938592 /nfs/dbraw/zinc/93/85/92/607938592.db2.gz OKGJHJVXASFQPE-UHFFFAOYSA-N -1 1 377.323 1.889 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)c2cncc(N3CCOCC3)c2)n1 ZINC000824147492 607963076 /nfs/dbraw/zinc/96/30/76/607963076.db2.gz DXRVPIRBMKEIDU-UHFFFAOYSA-N -1 1 397.443 1.302 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2cncc(N3CCOCC3)c2)n1 ZINC000824147492 607963077 /nfs/dbraw/zinc/96/30/77/607963077.db2.gz DXRVPIRBMKEIDU-UHFFFAOYSA-N -1 1 397.443 1.302 20 0 GDADMM CN1C(=O)C[C@@H](C(=O)OCc2ccnc(-c3nnn[n-]3)c2)[C@@H]1c1ccc(F)cc1 ZINC000826011171 607979481 /nfs/dbraw/zinc/97/94/81/607979481.db2.gz ZQRLSJDMFCVWQF-PBHICJAKSA-N -1 1 396.382 1.664 20 0 GDADMM CN1C(=O)C[C@@H](C(=O)OCc2ccnc(-c3nn[n-]n3)c2)[C@@H]1c1ccc(F)cc1 ZINC000826011171 607979482 /nfs/dbraw/zinc/97/94/82/607979482.db2.gz ZQRLSJDMFCVWQF-PBHICJAKSA-N -1 1 396.382 1.664 20 0 GDADMM Cc1nc(COc2cccc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)c2)no1 ZINC000826326186 607979876 /nfs/dbraw/zinc/97/98/76/607979876.db2.gz FLINTJBJOQHZKY-UHFFFAOYSA-N -1 1 393.363 1.889 20 0 GDADMM Cc1nc(COc2cccc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)c2)no1 ZINC000826326186 607979877 /nfs/dbraw/zinc/97/98/77/607979877.db2.gz FLINTJBJOQHZKY-UHFFFAOYSA-N -1 1 393.363 1.889 20 0 GDADMM O=S(=O)(c1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1)N1CCCC1 ZINC000826494942 607989382 /nfs/dbraw/zinc/98/93/82/607989382.db2.gz WFMROLSMGUWNHV-UHFFFAOYSA-N -1 1 386.441 1.053 20 0 GDADMM O=S(=O)(c1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cc1)N1CCCC1 ZINC000826494942 607989383 /nfs/dbraw/zinc/98/93/83/607989383.db2.gz WFMROLSMGUWNHV-UHFFFAOYSA-N -1 1 386.441 1.053 20 0 GDADMM O=C(CCc1nc(-c2ccncc2)no1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826409017 607993108 /nfs/dbraw/zinc/99/31/08/607993108.db2.gz FGLVTXPXBCMYTC-UHFFFAOYSA-N -1 1 378.352 1.383 20 0 GDADMM O=C(CCc1nc(-c2ccncc2)no1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826409017 607993109 /nfs/dbraw/zinc/99/31/09/607993109.db2.gz FGLVTXPXBCMYTC-UHFFFAOYSA-N -1 1 378.352 1.383 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1CCCCN1C(=O)c1ccco1 ZINC000826450914 607997644 /nfs/dbraw/zinc/99/76/44/607997644.db2.gz ISUVYZNOMCTVSX-CYBMUJFWSA-N -1 1 382.380 1.799 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1nc2cc[nH]cc-2n1 ZINC000826232931 608030546 /nfs/dbraw/zinc/03/05/46/608030546.db2.gz NNVYIVJZGSYGJB-UHFFFAOYSA-N -1 1 379.384 1.427 20 0 GDADMM COc1ccnc(NC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)c1 ZINC000826221213 608040468 /nfs/dbraw/zinc/04/04/68/608040468.db2.gz UQFNLPDFXWCEJY-UHFFFAOYSA-N -1 1 393.411 1.501 20 0 GDADMM COc1ccnc(NC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)c1 ZINC000826221213 608040469 /nfs/dbraw/zinc/04/04/69/608040469.db2.gz UQFNLPDFXWCEJY-UHFFFAOYSA-N -1 1 393.411 1.501 20 0 GDADMM O=C(N[C@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826430105 608060837 /nfs/dbraw/zinc/06/08/37/608060837.db2.gz UDSRYMIMYLGFDM-ZDUSSCGKSA-N -1 1 382.449 1.849 20 0 GDADMM O=C(N[C@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826430105 608060838 /nfs/dbraw/zinc/06/08/38/608060838.db2.gz UDSRYMIMYLGFDM-ZDUSSCGKSA-N -1 1 382.449 1.849 20 0 GDADMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2cccc(Br)c2C)c1=O ZINC000825799990 608077124 /nfs/dbraw/zinc/07/71/24/608077124.db2.gz XWUZCLMXOTUIGY-UHFFFAOYSA-N -1 1 391.229 1.329 20 0 GDADMM O=C1C[C@@H](C2CC2)CN1CN1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000826479001 608096690 /nfs/dbraw/zinc/09/66/90/608096690.db2.gz NWIHLFWSVXVFOU-CQSZACIVSA-N -1 1 398.471 1.070 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@@H](C)c2nnc(C(C)C)[nH]2)cc1-c1nn[n-]n1 ZINC000826229806 608108938 /nfs/dbraw/zinc/10/89/38/608108938.db2.gz RZAQKFFOTRHJCJ-ZETCQYMHSA-N -1 1 389.445 1.422 20 0 GDADMM C[C@H]1OCC[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825020225 608111520 /nfs/dbraw/zinc/11/15/20/608111520.db2.gz JNLVHWAYZWMIEU-GMSGAONNSA-N -1 1 377.348 1.341 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N[C@@H]1CC12CCCCC2 ZINC000825000456 608164490 /nfs/dbraw/zinc/16/44/90/608164490.db2.gz QRGKQRQRRYUTRH-ZIAGYGMSSA-N -1 1 397.487 1.600 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N[C@@H]1CC12CCCCC2 ZINC000825000456 608164491 /nfs/dbraw/zinc/16/44/91/608164491.db2.gz QRGKQRQRRYUTRH-ZIAGYGMSSA-N -1 1 397.487 1.600 20 0 GDADMM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC000824772699 608181541 /nfs/dbraw/zinc/18/15/41/608181541.db2.gz WPYUAQNXUJQMLJ-SSDOTTSWSA-N -1 1 399.889 1.821 20 0 GDADMM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC000824772699 608181542 /nfs/dbraw/zinc/18/15/42/608181542.db2.gz WPYUAQNXUJQMLJ-SSDOTTSWSA-N -1 1 399.889 1.821 20 0 GDADMM Clc1nsc(N2CCO[C@@H](CNc3cccnn3)C2)c1-c1nnn[n-]1 ZINC000826354025 608191195 /nfs/dbraw/zinc/19/11/95/608191195.db2.gz NBOBQHADOULVCU-QMMMGPOBSA-N -1 1 379.837 1.084 20 0 GDADMM Clc1nsc(N2CCO[C@@H](CNc3cccnn3)C2)c1-c1nn[n-]n1 ZINC000826354025 608191197 /nfs/dbraw/zinc/19/11/97/608191197.db2.gz NBOBQHADOULVCU-QMMMGPOBSA-N -1 1 379.837 1.084 20 0 GDADMM CC(=CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1cccc(F)c1 ZINC000823944134 608210558 /nfs/dbraw/zinc/21/05/58/608210558.db2.gz YJLCYLLWCHASQH-LUAWRHEFSA-N -1 1 384.419 1.806 20 0 GDADMM CC(=CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1cccc(F)c1 ZINC000823944134 608210560 /nfs/dbraw/zinc/21/05/60/608210560.db2.gz YJLCYLLWCHASQH-LUAWRHEFSA-N -1 1 384.419 1.806 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@@H]1CCCc2ccccc21 ZINC000825923772 608211277 /nfs/dbraw/zinc/21/12/77/608211277.db2.gz VGAAKBSVELMKBP-CQSZACIVSA-N -1 1 380.456 1.683 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@@H]1CCCc2ccccc21 ZINC000825923772 608211279 /nfs/dbraw/zinc/21/12/79/608211279.db2.gz VGAAKBSVELMKBP-CQSZACIVSA-N -1 1 380.456 1.683 20 0 GDADMM COc1ccccc1[C@H](C)CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826219236 608211869 /nfs/dbraw/zinc/21/18/69/608211869.db2.gz WJJQFPNUOOSGGL-GFCCVEGCSA-N -1 1 398.471 1.765 20 0 GDADMM COc1ccccc1[C@H](C)CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826219236 608211870 /nfs/dbraw/zinc/21/18/70/608211870.db2.gz WJJQFPNUOOSGGL-GFCCVEGCSA-N -1 1 398.471 1.765 20 0 GDADMM Cc1nc(C)c(-c2nn[n-]n2)c(SCC(=O)N2CCOC[C@H]2C2CC2)n1 ZINC000826324217 608231319 /nfs/dbraw/zinc/23/13/19/608231319.db2.gz IXEBRSYJRJWHFD-LBPRGKRZSA-N -1 1 375.458 1.003 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N2CC[C@H]2c2ccccc2)n1 ZINC000824142885 608341249 /nfs/dbraw/zinc/34/12/49/608341249.db2.gz ZFZSHCGGZMKKCT-AWEZNQCLSA-N -1 1 394.439 1.730 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N2CC[C@H]2c2ccccc2)n1 ZINC000824142885 608341251 /nfs/dbraw/zinc/34/12/51/608341251.db2.gz ZFZSHCGGZMKKCT-AWEZNQCLSA-N -1 1 394.439 1.730 20 0 GDADMM C[C@H]1C[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C[C@@H](C)C1 ZINC000824875292 608354826 /nfs/dbraw/zinc/35/48/26/608354826.db2.gz KXKVSKQYETXVMU-GDNZZTSVSA-N -1 1 388.476 1.698 20 0 GDADMM C[C@H]1C[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C[C@@H](C)C1 ZINC000824875292 608354828 /nfs/dbraw/zinc/35/48/28/608354828.db2.gz KXKVSKQYETXVMU-GDNZZTSVSA-N -1 1 388.476 1.698 20 0 GDADMM CC(C)(C)NS(=O)(=O)c1ccccc1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000824094395 608404304 /nfs/dbraw/zinc/40/43/04/608404304.db2.gz SWIFCXXTEUADHK-UHFFFAOYSA-N -1 1 388.457 1.346 20 0 GDADMM CC(C)(C)NS(=O)(=O)c1ccccc1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000824094395 608404305 /nfs/dbraw/zinc/40/43/05/608404305.db2.gz SWIFCXXTEUADHK-UHFFFAOYSA-N -1 1 388.457 1.346 20 0 GDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000824649425 608414860 /nfs/dbraw/zinc/41/48/60/608414860.db2.gz LVDJPBIQLNNGOW-LLVKDONJSA-N -1 1 384.419 1.930 20 0 GDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000824649425 608414862 /nfs/dbraw/zinc/41/48/62/608414862.db2.gz LVDJPBIQLNNGOW-LLVKDONJSA-N -1 1 384.419 1.930 20 0 GDADMM CC(=O)N(Cc1ncc(C(C)C)o1)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000823967028 608433797 /nfs/dbraw/zinc/43/37/97/608433797.db2.gz HBRJOEGFJQCADC-CYBMUJFWSA-N -1 1 397.443 1.396 20 0 GDADMM CC(=O)N(Cc1ncc(C(C)C)o1)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000823967028 608433799 /nfs/dbraw/zinc/43/37/99/608433799.db2.gz HBRJOEGFJQCADC-CYBMUJFWSA-N -1 1 397.443 1.396 20 0 GDADMM CCc1nnc(Oc2cccc(OCC(=O)NC)c2)c(-c2nnn[n-]2)c1CC ZINC000825771607 608443531 /nfs/dbraw/zinc/44/35/31/608443531.db2.gz NBAIXFRPJAZRNO-UHFFFAOYSA-N -1 1 383.412 1.699 20 0 GDADMM CCc1nnc(Oc2cccc(OCC(=O)NC)c2)c(-c2nn[n-]n2)c1CC ZINC000825771607 608443533 /nfs/dbraw/zinc/44/35/33/608443533.db2.gz NBAIXFRPJAZRNO-UHFFFAOYSA-N -1 1 383.412 1.699 20 0 GDADMM O=C(Cc1ccc(Cl)cc1)N1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000826422681 608530480 /nfs/dbraw/zinc/53/04/80/608530480.db2.gz IDCJZGYTWVQPDO-UHFFFAOYSA-N -1 1 386.843 2.000 20 0 GDADMM O=C(Cc1ccc(Cl)cc1)N1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000826422681 608530482 /nfs/dbraw/zinc/53/04/82/608530482.db2.gz IDCJZGYTWVQPDO-UHFFFAOYSA-N -1 1 386.843 2.000 20 0 GDADMM Cc1ccc(-c2nnn[n-]2)nc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000826280836 608541386 /nfs/dbraw/zinc/54/13/86/608541386.db2.gz RWKLAXNMTACLEP-UHFFFAOYSA-N -1 1 399.480 1.222 20 0 GDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000826280836 608541387 /nfs/dbraw/zinc/54/13/87/608541387.db2.gz RWKLAXNMTACLEP-UHFFFAOYSA-N -1 1 399.480 1.222 20 0 GDADMM CC[C@@H](CSC)NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000825128831 608546722 /nfs/dbraw/zinc/54/67/22/608546722.db2.gz ZDRQCKUYZAWEEA-LBPRGKRZSA-N -1 1 388.501 1.717 20 0 GDADMM CC[C@@H](CSC)NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000825128831 608546724 /nfs/dbraw/zinc/54/67/24/608546724.db2.gz ZDRQCKUYZAWEEA-LBPRGKRZSA-N -1 1 388.501 1.717 20 0 GDADMM C[C@H](COc1ccccc1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824448627 608557499 /nfs/dbraw/zinc/55/74/99/608557499.db2.gz JCENLSNZBJDKRH-GFCCVEGCSA-N -1 1 384.444 1.278 20 0 GDADMM C[C@H](COc1ccccc1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824448627 608557501 /nfs/dbraw/zinc/55/75/01/608557501.db2.gz JCENLSNZBJDKRH-GFCCVEGCSA-N -1 1 384.444 1.278 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1nc(Cl)ccc1F ZINC000825935007 608558648 /nfs/dbraw/zinc/55/86/48/608558648.db2.gz SBQGSJITFPAOEE-UHFFFAOYSA-N -1 1 379.787 1.064 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1nc(Cl)ccc1F ZINC000825935007 608558650 /nfs/dbraw/zinc/55/86/50/608558650.db2.gz SBQGSJITFPAOEE-UHFFFAOYSA-N -1 1 379.787 1.064 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cccnc1C(F)(F)F ZINC000825935160 608560342 /nfs/dbraw/zinc/56/03/42/608560342.db2.gz WAVWWDKLOJWUIK-UHFFFAOYSA-N -1 1 395.349 1.291 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cccnc1C(F)(F)F ZINC000825935160 608560344 /nfs/dbraw/zinc/56/03/44/608560344.db2.gz WAVWWDKLOJWUIK-UHFFFAOYSA-N -1 1 395.349 1.291 20 0 GDADMM CCOC(=O)C1(C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CCC1 ZINC000825491969 608565135 /nfs/dbraw/zinc/56/51/35/608565135.db2.gz BCUFZQXAEACGBL-UHFFFAOYSA-N -1 1 391.384 1.292 20 0 GDADMM O=C(NCCNc1c2ccccc2nnc1-c1nnn[n-]1)NC1CCCCC1 ZINC000826437600 608584905 /nfs/dbraw/zinc/58/49/05/608584905.db2.gz SRIDPVSJXNNELJ-UHFFFAOYSA-N -1 1 381.444 1.854 20 0 GDADMM O=C(NCCNc1c2ccccc2nnc1-c1nn[n-]n1)NC1CCCCC1 ZINC000826437600 608584906 /nfs/dbraw/zinc/58/49/06/608584906.db2.gz SRIDPVSJXNNELJ-UHFFFAOYSA-N -1 1 381.444 1.854 20 0 GDADMM C[C@H]1CCC[C@@H](NC(=O)CN2CCN(Cc3ccc(-c4nnn[n-]4)o3)CC2)C1 ZINC000824928431 608677680 /nfs/dbraw/zinc/67/76/80/608677680.db2.gz SKHDKSSVQRZXNX-LSDHHAIUSA-N -1 1 387.488 1.272 20 0 GDADMM C[C@H]1CCC[C@@H](NC(=O)CN2CCN(Cc3ccc(-c4nn[n-]n4)o3)CC2)C1 ZINC000824928431 608677682 /nfs/dbraw/zinc/67/76/82/608677682.db2.gz SKHDKSSVQRZXNX-LSDHHAIUSA-N -1 1 387.488 1.272 20 0 GDADMM C[C@@H](NC(=O)Cn1ccnc1-c1nnn[n-]1)c1ccc(OC(F)(F)F)cc1 ZINC000824479915 608893938 /nfs/dbraw/zinc/89/39/38/608893938.db2.gz RJVVZQJGOXKKSR-SECBINFHSA-N -1 1 381.318 1.839 20 0 GDADMM C[C@@H](NC(=O)Cn1ccnc1-c1nn[n-]n1)c1ccc(OC(F)(F)F)cc1 ZINC000824479915 608893942 /nfs/dbraw/zinc/89/39/42/608893942.db2.gz RJVVZQJGOXKKSR-SECBINFHSA-N -1 1 381.318 1.839 20 0 GDADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2ccc(Cl)cc2-c2nn[nH]n2)o1 ZINC000826091171 609155148 /nfs/dbraw/zinc/15/51/48/609155148.db2.gz XPXIZJGREJJHKN-UHFFFAOYSA-N -1 1 397.800 1.378 20 0 GDADMM CC(=O)N1CC[C@](C)(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1 ZINC000823975130 609288231 /nfs/dbraw/zinc/28/82/31/609288231.db2.gz UZNCLSGBFRJUHY-SFHVURJKSA-N -1 1 398.402 1.389 20 0 GDADMM Cc1noc(C)c1CC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826339091 609289596 /nfs/dbraw/zinc/28/95/96/609289596.db2.gz QRTLNYQEYRHIHM-UHFFFAOYSA-N -1 1 382.359 1.978 20 0 GDADMM CCNC(=O)c1ccccc1NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000825476787 609296317 /nfs/dbraw/zinc/29/63/17/609296317.db2.gz WDSKJYLJMXUDFK-UHFFFAOYSA-N -1 1 399.436 1.691 20 0 GDADMM CCOc1cccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000825649559 609298825 /nfs/dbraw/zinc/29/88/25/609298825.db2.gz RWRWGSBYSYJJBB-UHFFFAOYSA-N -1 1 399.459 1.345 20 0 GDADMM CCOc1cccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000825649559 609298826 /nfs/dbraw/zinc/29/88/26/609298826.db2.gz RWRWGSBYSYJJBB-UHFFFAOYSA-N -1 1 399.459 1.345 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NC[C@@H]1Cc2ccccc21 ZINC000825929285 609300845 /nfs/dbraw/zinc/30/08/45/609300845.db2.gz FENWDPXOEDQRAF-LBPRGKRZSA-N -1 1 381.444 1.086 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NC[C@@H]1Cc2ccccc21 ZINC000825929285 609300848 /nfs/dbraw/zinc/30/08/48/609300848.db2.gz FENWDPXOEDQRAF-LBPRGKRZSA-N -1 1 381.444 1.086 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@@H]1CCc2c1cccc2F ZINC000825930041 609300883 /nfs/dbraw/zinc/30/08/83/609300883.db2.gz OQXNSBBDAHOJGM-CYBMUJFWSA-N -1 1 399.434 1.573 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@@H]1CCc2c1cccc2F ZINC000825930041 609300885 /nfs/dbraw/zinc/30/08/85/609300885.db2.gz OQXNSBBDAHOJGM-CYBMUJFWSA-N -1 1 399.434 1.573 20 0 GDADMM C[C@@H](CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)Oc1ccccc1 ZINC000824421401 609302146 /nfs/dbraw/zinc/30/21/46/609302146.db2.gz SXBWHRWJAGNPHL-LBPRGKRZSA-N -1 1 399.459 1.214 20 0 GDADMM C[C@@H](CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)Oc1ccccc1 ZINC000824421401 609302148 /nfs/dbraw/zinc/30/21/48/609302148.db2.gz SXBWHRWJAGNPHL-LBPRGKRZSA-N -1 1 399.459 1.214 20 0 GDADMM Cc1cccc2c1CC[C@@H]2NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826305034 609303303 /nfs/dbraw/zinc/30/33/03/609303303.db2.gz IBGUZUSTYLIDOQ-AWEZNQCLSA-N -1 1 395.471 1.742 20 0 GDADMM Cc1cccc2c1CC[C@@H]2NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826305034 609303304 /nfs/dbraw/zinc/30/33/04/609303304.db2.gz IBGUZUSTYLIDOQ-AWEZNQCLSA-N -1 1 395.471 1.742 20 0 GDADMM CC(C)[C@H](C)NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824192411 609352722 /nfs/dbraw/zinc/35/27/22/609352722.db2.gz JMBWPZFQNRXSTK-JTQLQIEISA-N -1 1 386.391 1.291 20 0 GDADMM O=C(NCCn1cccc1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826439996 609364040 /nfs/dbraw/zinc/36/40/40/609364040.db2.gz TXYPFKANHZYUGR-UHFFFAOYSA-N -1 1 381.375 1.815 20 0 GDADMM CCCN(C(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C1CC1 ZINC000825300600 609366215 /nfs/dbraw/zinc/36/62/15/609366215.db2.gz BQCGHGGXOVEJIP-UHFFFAOYSA-N -1 1 398.402 1.531 20 0 GDADMM COc1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)nc1Br ZINC000826188085 609399868 /nfs/dbraw/zinc/39/98/68/609399868.db2.gz NDHZXSJVYDZHPM-UHFFFAOYSA-N -1 1 391.185 1.785 20 0 GDADMM COc1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)nc1Br ZINC000826188085 609399870 /nfs/dbraw/zinc/39/98/70/609399870.db2.gz NDHZXSJVYDZHPM-UHFFFAOYSA-N -1 1 391.185 1.785 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@@H](CO)c2cccc(F)c2)cc1-c1nn[n-]n1 ZINC000826229768 609406571 /nfs/dbraw/zinc/40/65/71/609406571.db2.gz QSZMLYZINBDQDU-LBPRGKRZSA-N -1 1 390.400 1.292 20 0 GDADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1cccc(-c2nn[nH]n2)c1 ZINC000826280103 609449403 /nfs/dbraw/zinc/44/94/03/609449403.db2.gz NNUQKKDBQYJYJV-UHFFFAOYSA-N -1 1 383.397 1.156 20 0 GDADMM CCOc1ccc(-c2cn(C3CN(c4cccc(-c5nnn[n-]5)n4)C3)nn2)cc1 ZINC000825621326 609491542 /nfs/dbraw/zinc/49/15/42/609491542.db2.gz QIOUFJCKOHUFSP-UHFFFAOYSA-N -1 1 389.423 1.980 20 0 GDADMM CCOc1ccc(-c2cn(C3CN(c4cccc(-c5nn[n-]n5)n4)C3)nn2)cc1 ZINC000825621326 609491545 /nfs/dbraw/zinc/49/15/45/609491545.db2.gz QIOUFJCKOHUFSP-UHFFFAOYSA-N -1 1 389.423 1.980 20 0 GDADMM COc1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1C(C)=O ZINC000826211567 609582929 /nfs/dbraw/zinc/58/29/29/609582929.db2.gz KIZRMBKRGPAEIK-UHFFFAOYSA-N -1 1 392.368 1.985 20 0 GDADMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)cc1OC ZINC000532417315 650024233 /nfs/dbraw/zinc/02/42/33/650024233.db2.gz NLVVLFKSVIBHBZ-UHFFFAOYSA-N -1 1 383.447 1.834 20 0 GDADMM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CO)CC(F)(F)F ZINC000535249618 650244978 /nfs/dbraw/zinc/24/49/78/650244978.db2.gz ZKGVFPGLMQWWQR-QMMMGPOBSA-N -1 1 375.752 1.718 20 0 GDADMM CCOC(=O)C[C@@H](C)CNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000535533618 650249269 /nfs/dbraw/zinc/24/92/69/650249269.db2.gz UKMVSTAVWYSWNH-SNVBAGLBSA-N -1 1 396.462 1.065 20 0 GDADMM COC(=O)[C@@]1([N-]S(=O)(=O)Cc2ccc(Br)cc2)CCSC1 ZINC000536155084 650265638 /nfs/dbraw/zinc/26/56/38/650265638.db2.gz OTFPURXAQBUUPX-CYBMUJFWSA-N -1 1 394.312 1.917 20 0 GDADMM CCc1ccc([N-]S(=O)(=O)c2ccc(COC)cc2)cc1S(N)(=O)=O ZINC000538139290 650307171 /nfs/dbraw/zinc/30/71/71/650307171.db2.gz RTBJKAJVXLAXHN-UHFFFAOYSA-N -1 1 384.479 1.844 20 0 GDADMM CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)c1 ZINC000538938293 650325941 /nfs/dbraw/zinc/32/59/41/650325941.db2.gz LBXWLUKUBCBATI-UHFFFAOYSA-N -1 1 382.463 1.721 20 0 GDADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@H]2CCCCS2)c(F)c1 ZINC000542240314 650401467 /nfs/dbraw/zinc/40/14/67/650401467.db2.gz NVHPGYHLQDUKRF-LLVKDONJSA-N -1 1 382.504 1.761 20 0 GDADMM CCc1nncn1CC[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000545097597 650449654 /nfs/dbraw/zinc/44/96/54/650449654.db2.gz OBOISCVFBDSVHV-UHFFFAOYSA-N -1 1 395.229 1.860 20 0 GDADMM 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ZINC000780433503 939121175 /nfs/dbraw/zinc/12/11/75/939121175.db2.gz UHKJSJWXSFEUEK-IBGZPJMESA-N -1 1 397.479 1.849 20 0 GDADMM CC[C@@](NC(=O)c1cccc(N2CCN(C)CC2)n1)(C(=O)[O-])c1ccccc1 ZINC000908940734 939358951 /nfs/dbraw/zinc/35/89/51/939358951.db2.gz WVEHGWLMRPTUEL-NRFANRHFSA-N -1 1 382.464 1.953 20 0 GDADMM O=C([O-])[C@]1(NC(=O)NCC2(CN3CCOCC3)CCCCC2)CCSC1 ZINC000909096168 939381347 /nfs/dbraw/zinc/38/13/47/939381347.db2.gz HUEMNWRHGOMQKP-SFHVURJKSA-N -1 1 385.530 1.529 20 0 GDADMM COc1cccc([C@H](NC(=O)c2ccc(CN3CCN(C)CC3)cc2)C(=O)[O-])c1 ZINC000909943097 939744322 /nfs/dbraw/zinc/74/43/22/939744322.db2.gz BHPUXIQZVFIPLW-FQEVSTJZSA-N -1 1 397.475 1.998 20 0 GDADMM C[C@@H](NC(=O)NC1(C(=O)[O-])CCC1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000929029328 939793762 /nfs/dbraw/zinc/79/37/62/939793762.db2.gz MAZOQKXUYPVBJX-CYBMUJFWSA-N -1 1 378.448 1.945 20 0 GDADMM COc1ccc([C@H](NC(=O)N[C@H]2CCCN3CCSC[C@H]23)C(=O)[O-])cc1 ZINC000929065184 939809136 /nfs/dbraw/zinc/80/91/36/939809136.db2.gz TZFABKVLPXWUQG-XHSDSOJGSA-N -1 1 379.482 1.700 20 0 GDADMM O=C([O-])[C@@H](NC(=O)N[C@H]1CCCN2CCSC[C@H]12)c1ccc2c(c1)CCO2 ZINC000929065149 939809171 /nfs/dbraw/zinc/80/91/71/939809171.db2.gz SUVPJCUVYNWFTO-UXLLHSPISA-N -1 1 391.493 1.626 20 0 GDADMM CCc1nc(NC2CC(N(C)C(=O)c3nccs3)C2)cc(-c2nnn[n-]2)n1 ZINC001571262344 945436956 /nfs/dbraw/zinc/43/69/56/945436956.db2.gz PSMNHYBXWIHANV-UHFFFAOYSA-N -1 1 385.457 1.391 20 0 GDADMM CCc1nc(NC2CC(N(C)C(=O)c3nccs3)C2)cc(-c2nn[n-]n2)n1 ZINC001571262344 945436961 /nfs/dbraw/zinc/43/69/61/945436961.db2.gz PSMNHYBXWIHANV-UHFFFAOYSA-N -1 1 385.457 1.391 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(CNC(=O)c3nccs3)CC2)n1 ZINC001571262409 945437107 /nfs/dbraw/zinc/43/71/07/945437107.db2.gz RXPQHTDBNLBNEI-UHFFFAOYSA-N -1 1 385.457 1.068 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(CNC(=O)c3nccs3)CC2)n1 ZINC001571262409 945437110 /nfs/dbraw/zinc/43/71/10/945437110.db2.gz RXPQHTDBNLBNEI-UHFFFAOYSA-N -1 1 385.457 1.068 20 0 GDADMM CCc1nc(C)c(C(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)s1 ZINC001571262402 945437331 /nfs/dbraw/zinc/43/73/31/945437331.db2.gz RTDJTKGNHUYJCJ-SNVBAGLBSA-N -1 1 385.457 1.311 20 0 GDADMM CCc1nc(C)c(C(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)s1 ZINC001571262402 945437338 /nfs/dbraw/zinc/43/73/38/945437338.db2.gz RTDJTKGNHUYJCJ-SNVBAGLBSA-N -1 1 385.457 1.311 20 0 GDADMM CCc1nc(C)c(C(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)s1 ZINC001571262401 945437596 /nfs/dbraw/zinc/43/75/96/945437596.db2.gz RTDJTKGNHUYJCJ-JTQLQIEISA-N -1 1 385.457 1.311 20 0 GDADMM CCc1nc(C)c(C(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)s1 ZINC001571262401 945437598 /nfs/dbraw/zinc/43/75/98/945437598.db2.gz RTDJTKGNHUYJCJ-JTQLQIEISA-N -1 1 385.457 1.311 20 0 GDADMM CCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)c2cscn2)CC1 ZINC001571262755 945441663 /nfs/dbraw/zinc/44/16/63/945441663.db2.gz WYRUTFYVOQMQDJ-UHFFFAOYSA-N -1 1 385.457 1.032 20 0 GDADMM Cc1ncc(C(=O)NC[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)s1 ZINC001571262928 945446047 /nfs/dbraw/zinc/44/60/47/945446047.db2.gz CNHOZZUTFSJXKS-LLVKDONJSA-N -1 1 385.457 1.068 20 0 GDADMM Cc1ncc(C(=O)NC[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)s1 ZINC001571262928 945446051 /nfs/dbraw/zinc/44/60/51/945446051.db2.gz CNHOZZUTFSJXKS-LLVKDONJSA-N -1 1 385.457 1.068 20 0 GDADMM Cc1nsc(NC[C@@H]2CC[C@@H](NC(=O)c3ccnnc3)C2)c1-c1nn[n-]n1 ZINC001571263128 945451344 /nfs/dbraw/zinc/45/13/44/945451344.db2.gz IBWHLWPXPOPVCM-ZYHUDNBSSA-N -1 1 385.457 1.432 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)c1ccc(Cl)cn1 ZINC001571264972 945497407 /nfs/dbraw/zinc/49/74/07/945497407.db2.gz BPQPTWZWLXCSMT-HOMQSWHASA-N -1 1 385.819 1.326 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)c1ccc(Cl)cn1 ZINC001571264972 945497410 /nfs/dbraw/zinc/49/74/10/945497410.db2.gz BPQPTWZWLXCSMT-HOMQSWHASA-N -1 1 385.819 1.326 20 0 GDADMM C[C@H]1C(=O)Nc2cc(C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])ccc2N1C ZINC000820643853 945508225 /nfs/dbraw/zinc/50/82/25/945508225.db2.gz ZZPWVAANSAWUCJ-VIFPVBQESA-N -1 1 379.380 1.601 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(Cl)cn2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571265622 945515522 /nfs/dbraw/zinc/51/55/22/945515522.db2.gz NARHLNVESLVSMQ-NOZJJQNGSA-N -1 1 385.819 1.278 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(Cl)cn2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571265622 945515529 /nfs/dbraw/zinc/51/55/29/945515529.db2.gz NARHLNVESLVSMQ-NOZJJQNGSA-N -1 1 385.819 1.278 20 0 GDADMM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)c1ccc(Cl)[nH]1 ZINC001571266125 945531753 /nfs/dbraw/zinc/53/17/53/945531753.db2.gz WWJQTNSFGXDRRA-QRTLGDNMSA-N -1 1 385.819 1.178 20 0 GDADMM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)c1ccc(Cl)[nH]1 ZINC001571266125 945531760 /nfs/dbraw/zinc/53/17/60/945531760.db2.gz WWJQTNSFGXDRRA-QRTLGDNMSA-N -1 1 385.819 1.178 20 0 GDADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(F)ccc1F ZINC001571267046 945560388 /nfs/dbraw/zinc/56/03/88/945560388.db2.gz HSTJXUKAOFQSLP-NOZJJQNGSA-N -1 1 386.366 1.072 20 0 GDADMM O=C(N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)nn1)C1(CF)CCC1 ZINC001571269389 945619878 /nfs/dbraw/zinc/61/98/78/945619878.db2.gz XGRNKUNFELFHJT-UONOGXRCSA-N -1 1 386.435 1.366 20 0 GDADMM O=C(N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)nn1)C1(CF)CCC1 ZINC001571269389 945619884 /nfs/dbraw/zinc/61/98/84/945619884.db2.gz XGRNKUNFELFHJT-UONOGXRCSA-N -1 1 386.435 1.366 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)CC1)[C@H]1CCCOC1 ZINC001571272912 945673802 /nfs/dbraw/zinc/67/38/02/945673802.db2.gz KVFFQKRPBOXYOI-IHRRRGAJSA-N -1 1 386.460 1.170 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)CC1)[C@H]1CCCOC1 ZINC001571272912 945673807 /nfs/dbraw/zinc/67/38/07/945673807.db2.gz KVFFQKRPBOXYOI-IHRRRGAJSA-N -1 1 386.460 1.170 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cn(C)c2ccccc12 ZINC000821600352 945737838 /nfs/dbraw/zinc/73/78/38/945737838.db2.gz IWQPBZPCSNZVOZ-UHFFFAOYSA-N -1 1 379.428 1.369 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cn(C)c2ccccc12 ZINC000821600352 945737845 /nfs/dbraw/zinc/73/78/45/945737845.db2.gz IWQPBZPCSNZVOZ-UHFFFAOYSA-N -1 1 379.428 1.369 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)C1CCOCC1 ZINC001571278687 945758067 /nfs/dbraw/zinc/75/80/67/945758067.db2.gz QUTMJFCOOLDVLK-BETUJISGSA-N -1 1 386.460 1.169 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)C1CCOCC1 ZINC001571278687 945758075 /nfs/dbraw/zinc/75/80/75/945758075.db2.gz QUTMJFCOOLDVLK-BETUJISGSA-N -1 1 386.460 1.169 20 0 GDADMM Cc1nsc(N2CCCN(C(=O)[C@@H](C)n3cccn3)CC2)c1-c1nn[n-]n1 ZINC001571280941 945794497 /nfs/dbraw/zinc/79/44/97/945794497.db2.gz AALMAYDTQNRKHP-GFCCVEGCSA-N -1 1 387.473 1.128 20 0 GDADMM Cc1c[nH]c(C(=O)N2C[C@H](C)[C@H](CNc3snc(C)c3-c3nn[n-]n3)C2)n1 ZINC001571281577 945807258 /nfs/dbraw/zinc/80/72/58/945807258.db2.gz IYBCNBATGDXITO-GZMMTYOYSA-N -1 1 387.473 1.483 20 0 GDADMM Cc1n[nH]cc1C(=O)N1CCC[C@@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571281802 945816850 /nfs/dbraw/zinc/81/68/50/945816850.db2.gz NZCPFKAXPDNXGH-NSHDSACASA-N -1 1 387.473 1.627 20 0 GDADMM CCn1ccc(CC(=O)N[C@H]2C[C@@H](Nc3snc(C)c3-c3nn[n-]n3)C2)n1 ZINC001571282392 945842691 /nfs/dbraw/zinc/84/26/91/945842691.db2.gz XHULLRLHEVLQMO-TXEJJXNPSA-N -1 1 387.473 1.150 20 0 GDADMM Cc1nsc(N[C@@H]2CCCC[C@H]2NC(=O)c2cnn(C)c2)c1-c1nn[n-]n1 ZINC001571282456 945845628 /nfs/dbraw/zinc/84/56/28/945845628.db2.gz YWRUALPQTNZSHR-VXGBXAGGSA-N -1 1 387.473 1.518 20 0 GDADMM CCn1cc(C(=O)N2CCC[C@@H]2CNc2snc(C)c2-c2nn[n-]n2)cn1 ZINC001571282438 945846196 /nfs/dbraw/zinc/84/61/96/945846196.db2.gz YKRKZKSMEWOZBC-GFCCVEGCSA-N -1 1 387.473 1.565 20 0 GDADMM CC1(C)CN(C(=O)c2ccc(Cl)[nH]2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571283216 945878769 /nfs/dbraw/zinc/87/87/69/945878769.db2.gz BXSQJSSXEDRATQ-LLVKDONJSA-N -1 1 387.835 1.601 20 0 GDADMM CC1(C)CN(C(=O)c2ccc(Cl)[nH]2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571283216 945878787 /nfs/dbraw/zinc/87/87/87/945878787.db2.gz BXSQJSSXEDRATQ-LLVKDONJSA-N -1 1 387.835 1.601 20 0 GDADMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)c2cc(Cl)c[nH]2)C1 ZINC001571285245 945912659 /nfs/dbraw/zinc/91/26/59/945912659.db2.gz ZWKYRCOOYIRVBK-UWVGGRQHSA-N -1 1 387.835 1.601 20 0 GDADMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)c2cc(Cl)c[nH]2)C1 ZINC001571285245 945912663 /nfs/dbraw/zinc/91/26/63/945912663.db2.gz ZWKYRCOOYIRVBK-UWVGGRQHSA-N -1 1 387.835 1.601 20 0 GDADMM O=S(=O)(NCc1ccnc(OC(F)F)c1)c1ccsc1-c1nn[n-]n1 ZINC001571286015 945934330 /nfs/dbraw/zinc/93/43/30/945934330.db2.gz UUGNHQIVJOTYCE-UHFFFAOYSA-N -1 1 388.381 1.403 20 0 GDADMM COc1cnc([C@@H]2CCCN2C(=O)Nc2sccc2-c2nn[nH]n2)[n-]c1=O ZINC001571286270 945941629 /nfs/dbraw/zinc/94/16/29/945941629.db2.gz CNXQGEQXAZESKI-VIFPVBQESA-N -1 1 388.413 1.801 20 0 GDADMM C[C@@H]1CN(C(=O)c2sccc2F)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571286705 945954765 /nfs/dbraw/zinc/95/47/65/945954765.db2.gz PPAFSISIYLEQHZ-NXEZZACHSA-N -1 1 388.432 1.678 20 0 GDADMM C[C@@H]1CN(C(=O)c2sccc2F)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571286705 945954772 /nfs/dbraw/zinc/95/47/72/945954772.db2.gz PPAFSISIYLEQHZ-NXEZZACHSA-N -1 1 388.432 1.678 20 0 GDADMM C[C@@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1sccc1F ZINC001571286639 945956150 /nfs/dbraw/zinc/95/61/50/945956150.db2.gz NGBXWKQPZFYXSL-ZJUUUORDSA-N -1 1 388.432 1.384 20 0 GDADMM CC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)[C@@H]2CCC[C@@H](F)C2)CC1 ZINC001571287400 945972868 /nfs/dbraw/zinc/97/28/68/945972868.db2.gz CYPABJFEKIWIPQ-CHWSQXEVSA-N -1 1 388.451 1.400 20 0 GDADMM O=C(N[C@H]1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1)c1ccc(F)s1 ZINC001571287408 945973072 /nfs/dbraw/zinc/97/30/72/945973072.db2.gz DAZOVATVHWCBOP-ZJUUUORDSA-N -1 1 388.432 1.868 20 0 GDADMM O=C(N[C@H]1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1)c1ccc(F)s1 ZINC001571287408 945973080 /nfs/dbraw/zinc/97/30/80/945973080.db2.gz DAZOVATVHWCBOP-ZJUUUORDSA-N -1 1 388.432 1.868 20 0 GDADMM CC1(NC(=O)[C@@H]2CCC[C@@H](F)C2)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571289150 945995417 /nfs/dbraw/zinc/99/54/17/945995417.db2.gz VZMKETUWVQWOOI-CHWSQXEVSA-N -1 1 388.451 1.660 20 0 GDADMM CC1(NC(=O)[C@@H]2CCC[C@@H](F)C2)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571289150 945995422 /nfs/dbraw/zinc/99/54/22/945995422.db2.gz VZMKETUWVQWOOI-CHWSQXEVSA-N -1 1 388.451 1.660 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(NC(=O)[C@@H]3CCC[C@H](F)C3)CC2)n1 ZINC001571289622 946013072 /nfs/dbraw/zinc/01/30/72/946013072.db2.gz IWHORGAAKVODBJ-OLZOCXBDSA-N -1 1 388.451 1.578 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(NC(=O)[C@@H]3CCC[C@H](F)C3)CC2)n1 ZINC001571289622 946013082 /nfs/dbraw/zinc/01/30/82/946013082.db2.gz IWHORGAAKVODBJ-OLZOCXBDSA-N -1 1 388.451 1.578 20 0 GDADMM Cc1ccc(CCC(=O)NCC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1 ZINC000822234742 946019886 /nfs/dbraw/zinc/01/98/86/946019886.db2.gz GEZJIQYIUHHNCB-UHFFFAOYSA-N -1 1 380.408 1.568 20 0 GDADMM Cc1conc1C(=O)N[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)[C@H](C)C1 ZINC001571289870 946019828 /nfs/dbraw/zinc/01/98/28/946019828.db2.gz ONWXZKZUVJVCCZ-MWLCHTKSSA-N -1 1 388.457 1.715 20 0 GDADMM CN(C(=O)[C@H]1CCC[C@H](F)C1)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571289922 946022104 /nfs/dbraw/zinc/02/21/04/946022104.db2.gz PTCFNZNMQYRDGJ-STQMWFEESA-N -1 1 388.451 1.612 20 0 GDADMM CN(C(=O)[C@H]1CCC[C@H](F)C1)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571289922 946022113 /nfs/dbraw/zinc/02/21/13/946022113.db2.gz PTCFNZNMQYRDGJ-STQMWFEESA-N -1 1 388.451 1.612 20 0 GDADMM CC[C@@H](OC)C(=O)N1CCC(CCN(C)c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571289932 946022710 /nfs/dbraw/zinc/02/27/10/946022710.db2.gz QBQXVPXGLYFDQY-OAHLLOKOSA-N -1 1 388.476 1.147 20 0 GDADMM CC[C@@H](OC)C(=O)N1CCC(CCN(C)c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571289932 946022724 /nfs/dbraw/zinc/02/27/24/946022724.db2.gz QBQXVPXGLYFDQY-OAHLLOKOSA-N -1 1 388.476 1.147 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)C2(F)CCCCC2)C1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571290001 946026237 /nfs/dbraw/zinc/02/62/37/946026237.db2.gz RZLLCVOCHMIYPM-ZDUSSCGKSA-N -1 1 388.451 1.614 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)C2(F)CCCCC2)C1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571290001 946026247 /nfs/dbraw/zinc/02/62/47/946026247.db2.gz RZLLCVOCHMIYPM-ZDUSSCGKSA-N -1 1 388.451 1.614 20 0 GDADMM CC[C@@H](F)C(=O)N1CC2(C[C@@H]1C)CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571290043 946026704 /nfs/dbraw/zinc/02/67/04/946026704.db2.gz TXTLBDVHOOXSBT-QWHCGFSZSA-N -1 1 388.451 1.612 20 0 GDADMM CC[C@@H](F)C(=O)N1CC2(C[C@@H]1C)CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001571290043 946026716 /nfs/dbraw/zinc/02/67/16/946026716.db2.gz TXTLBDVHOOXSBT-QWHCGFSZSA-N -1 1 388.451 1.612 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC3(C[C@@H]3NC(=O)C(C)(C)F)CC2)n1 ZINC001571290148 946030837 /nfs/dbraw/zinc/03/08/37/946030837.db2.gz WBOXOEJOXUYTGM-LBPRGKRZSA-N -1 1 388.451 1.442 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC3(C[C@@H]3NC(=O)C(C)(C)F)CC2)n1 ZINC001571290148 946030848 /nfs/dbraw/zinc/03/08/48/946030848.db2.gz WBOXOEJOXUYTGM-LBPRGKRZSA-N -1 1 388.451 1.442 20 0 GDADMM O=C([C@H]1CCC[C@@H](F)C1)N1CCC(CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001571290255 946033846 /nfs/dbraw/zinc/03/38/46/946033846.db2.gz YSTQZQXEJWGPER-UONOGXRCSA-N -1 1 388.451 1.836 20 0 GDADMM O=C([C@H]1CCC[C@@H](F)C1)N1CCC(CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001571290255 946033857 /nfs/dbraw/zinc/03/38/57/946033857.db2.gz YSTQZQXEJWGPER-UONOGXRCSA-N -1 1 388.451 1.836 20 0 GDADMM CCc1cc(C(=O)N[C@H]2CCCN(c3snc(C)c3-c3nn[n-]n3)C2)no1 ZINC001571290234 946034655 /nfs/dbraw/zinc/03/46/55/946034655.db2.gz YGJPGZWPALBOBO-JTQLQIEISA-N -1 1 388.457 1.581 20 0 GDADMM CCc1nc(N[C@H]2C[C@H](NC(=O)c3occc3Cl)C2)cc(-c2nnn[n-]2)n1 ZINC001571290329 946038556 /nfs/dbraw/zinc/03/85/56/946038556.db2.gz ARQVZMNOKJIFDQ-KYZUINATSA-N -1 1 388.819 1.838 20 0 GDADMM CCc1nc(N[C@H]2C[C@H](NC(=O)c3occc3Cl)C2)cc(-c2nn[n-]n2)n1 ZINC001571290329 946038565 /nfs/dbraw/zinc/03/85/65/946038565.db2.gz ARQVZMNOKJIFDQ-KYZUINATSA-N -1 1 388.819 1.838 20 0 GDADMM O=C(N[C@H]1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1ccc(Cl)o1 ZINC001571290489 946046105 /nfs/dbraw/zinc/04/61/05/946046105.db2.gz GMSPHUDPEQHIKE-ZJUUUORDSA-N -1 1 388.819 1.336 20 0 GDADMM CC[C@@H](SC)C(=O)N1CC[C@@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001571290555 946046535 /nfs/dbraw/zinc/04/65/35/946046535.db2.gz ITFHSKUHQWILMN-SJKOYZFVSA-N -1 1 388.501 1.227 20 0 GDADMM CC[C@@H](SC)C(=O)N1CC[C@@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001571290555 946046547 /nfs/dbraw/zinc/04/65/47/946046547.db2.gz ITFHSKUHQWILMN-SJKOYZFVSA-N -1 1 388.501 1.227 20 0 GDADMM CN(C[C@H]1CCN(C(=O)c2ccc(Cl)o2)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571290681 946051202 /nfs/dbraw/zinc/05/12/02/946051202.db2.gz LPUMRBNFQBNNGE-SNVBAGLBSA-N -1 1 388.819 1.502 20 0 GDADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1c(Br)nc2n1CCC2 ZINC001571291055 946065207 /nfs/dbraw/zinc/06/52/07/946065207.db2.gz ZUKMKPYTYMRLPF-UHFFFAOYSA-N -1 1 389.217 1.097 20 0 GDADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1c(Br)nc2n1CCC2 ZINC001571291055 946065217 /nfs/dbraw/zinc/06/52/17/946065217.db2.gz ZUKMKPYTYMRLPF-UHFFFAOYSA-N -1 1 389.217 1.097 20 0 GDADMM Cc1nsc(N[C@@H](C)[C@@H]2CN(C(=O)c3ccco3)CCO2)c1-c1nn[n-]n1 ZINC001571293479 946106206 /nfs/dbraw/zinc/10/62/06/946106206.db2.gz JHVCLRSMOWWTKP-CABZTGNLSA-N -1 1 389.441 1.566 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(C(F)F)o2)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571294442 946134795 /nfs/dbraw/zinc/13/47/95/946134795.db2.gz GPTGYXZWPUBSOR-SCZZXKLOSA-N -1 1 390.354 1.760 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(C(F)F)o2)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571294442 946134801 /nfs/dbraw/zinc/13/48/01/946134801.db2.gz GPTGYXZWPUBSOR-SCZZXKLOSA-N -1 1 390.354 1.760 20 0 GDADMM CC[C@@H](F)C(=O)N1CCO[C@H](CNc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571294906 946148318 /nfs/dbraw/zinc/14/83/18/946148318.db2.gz PSVARUWQVXWHHH-HTQZYQBOSA-N -1 1 389.844 1.364 20 0 GDADMM CC1(C)CN(C(=O)c2cc(Cl)no2)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571295008 946149979 /nfs/dbraw/zinc/14/99/79/946149979.db2.gz NIHPFIWMPZNZOD-VIFPVBQESA-N -1 1 389.807 1.261 20 0 GDADMM CC1(C)CN(C(=O)c2cc(Cl)no2)C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571295008 946149989 /nfs/dbraw/zinc/14/99/89/946149989.db2.gz NIHPFIWMPZNZOD-VIFPVBQESA-N -1 1 389.807 1.261 20 0 GDADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCC(F)(F)C1 ZINC001571295080 946152966 /nfs/dbraw/zinc/15/29/66/946152966.db2.gz SFIMIFPDFPBTRC-KKOKHZNYSA-N -1 1 390.398 1.318 20 0 GDADMM Cc1nsc(N2CCCN(C(=O)Cc3cccs3)CC2)c1-c1nn[n-]n1 ZINC001571295630 946169712 /nfs/dbraw/zinc/16/97/12/946169712.db2.gz ZYDKDLMGTFYWFG-UHFFFAOYSA-N -1 1 389.510 1.975 20 0 GDADMM O=C(N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cccc(C2CCC2)c1 ZINC001571297893 946199471 /nfs/dbraw/zinc/19/94/71/946199471.db2.gz CFYDMSATZZNLSX-MRXNPFEDSA-N -1 1 390.451 1.933 20 0 GDADMM O=C(N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cccc(C2CCC2)c1 ZINC001571297893 946199475 /nfs/dbraw/zinc/19/94/75/946199475.db2.gz CFYDMSATZZNLSX-MRXNPFEDSA-N -1 1 390.451 1.933 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cccc2c1CCC2 ZINC001571297953 946202102 /nfs/dbraw/zinc/20/21/02/946202102.db2.gz FJSFETRVVAIUKA-AWEZNQCLSA-N -1 1 390.451 1.544 20 0 GDADMM O=C(N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C1(c2ccccc2)CC1 ZINC001571298006 946204001 /nfs/dbraw/zinc/20/40/01/946204001.db2.gz GWVVSNFQNAGRBM-OAHLLOKOSA-N -1 1 390.451 1.791 20 0 GDADMM O=C(N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C1(c2ccccc2)CC1 ZINC001571298006 946204009 /nfs/dbraw/zinc/20/40/09/946204009.db2.gz GWVVSNFQNAGRBM-OAHLLOKOSA-N -1 1 390.451 1.791 20 0 GDADMM Cc1[nH]nc(NC(=O)C[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)c1-c1nn[n-]n1 ZINC001571298322 946213202 /nfs/dbraw/zinc/21/32/02/946213202.db2.gz CSPSDUQEYIRFDL-WDEREUQCSA-N -1 1 390.448 1.920 20 0 GDADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001571298373 946213984 /nfs/dbraw/zinc/21/39/84/946213984.db2.gz FRCXOTUJYJQFDL-OWCLPIDISA-N -1 1 390.451 1.498 20 0 GDADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001571298373 946213992 /nfs/dbraw/zinc/21/39/92/946213992.db2.gz FRCXOTUJYJQFDL-OWCLPIDISA-N -1 1 390.451 1.498 20 0 GDADMM O=C(C[C@@H]1CCc2ccccc21)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571298484 946218491 /nfs/dbraw/zinc/21/84/91/946218491.db2.gz PFEBJJZDRASLPE-GJZGRUSLSA-N -1 1 390.451 1.472 20 0 GDADMM O=C(C[C@@H]1CCc2ccccc21)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571298484 946218502 /nfs/dbraw/zinc/21/85/02/946218502.db2.gz PFEBJJZDRASLPE-GJZGRUSLSA-N -1 1 390.451 1.472 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)c1C ZINC001571298640 946225737 /nfs/dbraw/zinc/22/57/37/946225737.db2.gz IHNSIKMNWXWJOR-WMLDXEAASA-N -1 1 390.451 1.624 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]32)c1C ZINC001571298640 946225748 /nfs/dbraw/zinc/22/57/48/946225748.db2.gz IHNSIKMNWXWJOR-WMLDXEAASA-N -1 1 390.451 1.624 20 0 GDADMM Cc1ccccc1C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001571298836 946230173 /nfs/dbraw/zinc/23/01/73/946230173.db2.gz KXLAEKGXEJTNDC-ZNMIVQPWSA-N -1 1 390.451 1.752 20 0 GDADMM Cc1ccccc1C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001571298836 946230182 /nfs/dbraw/zinc/23/01/82/946230182.db2.gz KXLAEKGXEJTNDC-ZNMIVQPWSA-N -1 1 390.451 1.752 20 0 GDADMM CN(C(=O)c1ccsc1Cl)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571298855 946230652 /nfs/dbraw/zinc/23/06/52/946230652.db2.gz FIWFGNFKUKWTAO-VIFPVBQESA-N -1 1 390.860 1.723 20 0 GDADMM CN(C(=O)c1ccsc1Cl)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571298855 946230663 /nfs/dbraw/zinc/23/06/63/946230663.db2.gz FIWFGNFKUKWTAO-VIFPVBQESA-N -1 1 390.860 1.723 20 0 GDADMM O=C(CCCNC(=O)c1ccc(F)cc1F)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822958726 946234343 /nfs/dbraw/zinc/23/43/43/946234343.db2.gz DOGMMSBWQRXMOV-UHFFFAOYSA-N -1 1 393.379 1.750 20 0 GDADMM O=C(CCCNC(=O)c1ccc(F)cc1F)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822958726 946234350 /nfs/dbraw/zinc/23/43/50/946234350.db2.gz DOGMMSBWQRXMOV-UHFFFAOYSA-N -1 1 393.379 1.750 20 0 GDADMM O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822958901 946236390 /nfs/dbraw/zinc/23/63/90/946236390.db2.gz MKYFGXLHIQPDPT-UHFFFAOYSA-N -1 1 383.393 1.338 20 0 GDADMM O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822958901 946236398 /nfs/dbraw/zinc/23/63/98/946236398.db2.gz MKYFGXLHIQPDPT-UHFFFAOYSA-N -1 1 383.393 1.338 20 0 GDADMM Cc1cccc(C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2cnc(-c3nnn[n-]3)cn2)c1 ZINC001571299842 946264620 /nfs/dbraw/zinc/26/46/20/946264620.db2.gz WKTJFSLHCURACU-SJORKVTESA-N -1 1 390.451 1.849 20 0 GDADMM Cc1cccc(C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2cnc(-c3nn[n-]n3)cn2)c1 ZINC001571299842 946264632 /nfs/dbraw/zinc/26/46/32/946264632.db2.gz WKTJFSLHCURACU-SJORKVTESA-N -1 1 390.451 1.849 20 0 GDADMM Cc1c[nH]cc1C(=O)N[C@@H]1[C@H]2CN(c3nc(Cl)c(-c4nnn[n-]4)s3)C[C@H]21 ZINC001571300064 946271861 /nfs/dbraw/zinc/27/18/61/946271861.db2.gz SKWNKXDSWIHOSE-MYJAWHEDSA-N -1 1 390.860 1.478 20 0 GDADMM Cc1c[nH]cc1C(=O)N[C@@H]1[C@H]2CN(c3nc(Cl)c(-c4nn[n-]n4)s3)C[C@H]21 ZINC001571300064 946271870 /nfs/dbraw/zinc/27/18/70/946271870.db2.gz SKWNKXDSWIHOSE-MYJAWHEDSA-N -1 1 390.860 1.478 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1NC(=O)c1sccc1Cl ZINC001571300209 946275987 /nfs/dbraw/zinc/27/59/87/946275987.db2.gz WXWWXNJGXODGIG-PSASIEDQSA-N -1 1 390.860 1.626 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1NC(=O)c1sccc1Cl ZINC001571300209 946275993 /nfs/dbraw/zinc/27/59/93/946275993.db2.gz WXWWXNJGXODGIG-PSASIEDQSA-N -1 1 390.860 1.626 20 0 GDADMM COC(=O)c1ccc(CNC(=O)NCc2nc(-c3nnn[n-]3)cs2)c(F)c1 ZINC001571301864 946286476 /nfs/dbraw/zinc/28/64/76/946286476.db2.gz GHABFRGJTBWAAR-UHFFFAOYSA-N -1 1 391.388 1.248 20 0 GDADMM COC(=O)c1ccc(CNC(=O)NCc2nc(-c3nn[n-]n3)cs2)c(F)c1 ZINC001571301864 946286483 /nfs/dbraw/zinc/28/64/83/946286483.db2.gz GHABFRGJTBWAAR-UHFFFAOYSA-N -1 1 391.388 1.248 20 0 GDADMM Cc1ccncc1C(=O)N[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2 ZINC001571302632 946309493 /nfs/dbraw/zinc/30/94/93/946309493.db2.gz CZQMOPAXFTVUDC-HUUCEWRRSA-N -1 1 391.439 1.513 20 0 GDADMM Cc1ccncc1C(=O)N[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2 ZINC001571302632 946309506 /nfs/dbraw/zinc/30/95/06/946309506.db2.gz CZQMOPAXFTVUDC-HUUCEWRRSA-N -1 1 391.439 1.513 20 0 GDADMM Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2ccnc(-c3nn[n-]n3)n2)cn1 ZINC001571302691 946309840 /nfs/dbraw/zinc/30/98/40/946309840.db2.gz FXYHMQNBWMOMBE-GOOCMWNKSA-N -1 1 391.439 1.290 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H]3CN(C(=O)c4ccccn4)CC[C@H]32)n1 ZINC001571303481 946337160 /nfs/dbraw/zinc/33/71/60/946337160.db2.gz RTKXLQFMNUNHMH-CZUORRHYSA-N -1 1 391.439 1.101 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H]3CN(C(=O)c4ccccn4)CC[C@H]32)n1 ZINC001571303481 946337171 /nfs/dbraw/zinc/33/71/71/946337171.db2.gz RTKXLQFMNUNHMH-CZUORRHYSA-N -1 1 391.439 1.101 20 0 GDADMM CN(c1nccnc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)c2ccc(C3CC3)cn2)C1 ZINC001571303806 946346707 /nfs/dbraw/zinc/34/67/07/946346707.db2.gz QJDRYLGIDXPSJZ-CQSZACIVSA-N -1 1 391.439 1.280 20 0 GDADMM CN(c1nccnc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)c2ccc(C3CC3)cn2)C1 ZINC001571303806 946346721 /nfs/dbraw/zinc/34/67/21/946346721.db2.gz QJDRYLGIDXPSJZ-CQSZACIVSA-N -1 1 391.439 1.280 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC3(C[C@@H]3NC(=O)c3ccccn3)CC2)n1 ZINC001571303981 946355106 /nfs/dbraw/zinc/35/51/06/946355106.db2.gz UFYWJOHILRAMTE-HNNXBMFYSA-N -1 1 391.439 1.149 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC3(C[C@@H]3NC(=O)c3ccccn3)CC2)n1 ZINC001571303981 946355116 /nfs/dbraw/zinc/35/51/16/946355116.db2.gz UFYWJOHILRAMTE-HNNXBMFYSA-N -1 1 391.439 1.149 20 0 GDADMM O=C(NC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1csc(Cl)n1 ZINC001571305469 946364754 /nfs/dbraw/zinc/36/47/54/946364754.db2.gz CBXYQIAWUGZRNC-MRVPVSSYSA-N -1 1 391.848 1.023 20 0 GDADMM O=C(NC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1csc(Cl)n1 ZINC001571305469 946364766 /nfs/dbraw/zinc/36/47/66/946364766.db2.gz CBXYQIAWUGZRNC-MRVPVSSYSA-N -1 1 391.848 1.023 20 0 GDADMM O=C(NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)c1nc(Cl)cs1 ZINC001571305518 946366724 /nfs/dbraw/zinc/36/67/24/946366724.db2.gz CVDUPGOSJRRMGO-QMMMGPOBSA-N -1 1 391.848 1.165 20 0 GDADMM O=C(NC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ncc(Cl)s1 ZINC001571305609 946370264 /nfs/dbraw/zinc/37/02/64/946370264.db2.gz HKWMFVSGBFNJDC-MRVPVSSYSA-N -1 1 391.848 1.023 20 0 GDADMM O=C(NC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ncc(Cl)s1 ZINC001571305609 946370277 /nfs/dbraw/zinc/37/02/77/946370277.db2.gz HKWMFVSGBFNJDC-MRVPVSSYSA-N -1 1 391.848 1.023 20 0 GDADMM CO[C@H](C(=O)N1C[C@@H]2CN(c3snc(C)c3-c3nn[n-]n3)C[C@@H]2C1)C(C)C ZINC001571305870 946377427 /nfs/dbraw/zinc/37/74/27/946377427.db2.gz MLPDBGHBNUEUDG-SCRDCRAPSA-N -1 1 391.501 1.197 20 0 GDADMM C[C@@]1(NC(=O)c2cccnn2)CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571306072 946387042 /nfs/dbraw/zinc/38/70/42/946387042.db2.gz OZWIFFGMJZUINC-CQSZACIVSA-N -1 1 391.848 1.165 20 0 GDADMM Cc1nsc(NC[C@@H]2CCC[C@@H]2NC(=O)c2cnns2)c1-c1nn[n-]n1 ZINC001571306104 946388469 /nfs/dbraw/zinc/38/84/69/946388469.db2.gz PLPKUKGTTPGXIH-IUCAKERBSA-N -1 1 391.486 1.494 20 0 GDADMM Cc1nsc(N(C)C[C@H]2CCN(C(=O)[C@]3(C)CCOC3)C2)c1-c1nn[n-]n1 ZINC001571306088 946389161 /nfs/dbraw/zinc/38/91/61/946389161.db2.gz PGBQNDJHTVSYCE-SJKOYZFVSA-N -1 1 391.501 1.343 20 0 GDADMM Cc1cnc(C(=O)N[C@H]2CCN(c3nc(-c4nn[n-]n4)c(Cl)s3)C2)cn1 ZINC001571306571 946404325 /nfs/dbraw/zinc/40/43/25/946404325.db2.gz XRDRXGYMKLTJLV-QMMMGPOBSA-N -1 1 391.848 1.084 20 0 GDADMM CC1(C(=O)N2CC[C@](C)(CNc3cncc(-c4nnn[n-]4)n3)C2)CC(F)(F)C1 ZINC001571307572 946425407 /nfs/dbraw/zinc/42/54/07/946425407.db2.gz FIZSNFRJGJAWQX-OAHLLOKOSA-N -1 1 392.414 1.743 20 0 GDADMM CC1(C(=O)N2CC[C@](C)(CNc3cncc(-c4nn[n-]n4)n3)C2)CC(F)(F)C1 ZINC001571307572 946425409 /nfs/dbraw/zinc/42/54/09/946425409.db2.gz FIZSNFRJGJAWQX-OAHLLOKOSA-N -1 1 392.414 1.743 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CCC2)CC[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571307597 946425446 /nfs/dbraw/zinc/42/54/46/946425446.db2.gz FXCNPGPTVCKZQX-WDEREUQCSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CCC2)CC[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571307597 946425449 /nfs/dbraw/zinc/42/54/49/946425449.db2.gz FXCNPGPTVCKZQX-WDEREUQCSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571307884 946427505 /nfs/dbraw/zinc/42/75/05/946427505.db2.gz IVMIOANJILFGPZ-WDEREUQCSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571307884 946427510 /nfs/dbraw/zinc/42/75/10/946427510.db2.gz IVMIOANJILFGPZ-WDEREUQCSA-N -1 1 392.414 1.599 20 0 GDADMM O=C(C1CC(F)(F)C1)N1CCCCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571307877 946427539 /nfs/dbraw/zinc/42/75/39/946427539.db2.gz IRJIJROOVDSDSF-GFCCVEGCSA-N -1 1 392.414 1.885 20 0 GDADMM O=C(C1CC(F)(F)C1)N1CCCCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571307877 946427542 /nfs/dbraw/zinc/42/75/42/946427542.db2.gz IRJIJROOVDSDSF-GFCCVEGCSA-N -1 1 392.414 1.885 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@]2(C)CCN(C(=O)[C@H]3CCC3(F)F)C2)n1 ZINC001571308549 946433582 /nfs/dbraw/zinc/43/35/82/946433582.db2.gz QRYNRDJVIZTZKX-BDJLRTHQSA-N -1 1 392.414 1.661 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@]2(C)CCN(C(=O)[C@H]3CCC3(F)F)C2)n1 ZINC001571308549 946433588 /nfs/dbraw/zinc/43/35/88/946433588.db2.gz QRYNRDJVIZTZKX-BDJLRTHQSA-N -1 1 392.414 1.661 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](NC(=O)CC3CC(F)(F)C3)C2)n1 ZINC001571308891 946436970 /nfs/dbraw/zinc/43/69/70/946436970.db2.gz UKFWRBFAWNIYFK-GFCCVEGCSA-N -1 1 392.414 1.486 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](NC(=O)CC3CC(F)(F)C3)C2)n1 ZINC001571308891 946436975 /nfs/dbraw/zinc/43/69/75/946436975.db2.gz UKFWRBFAWNIYFK-GFCCVEGCSA-N -1 1 392.414 1.486 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NCC2CCN(C(=O)[C@H]3CCC3(F)F)CC2)n1 ZINC001571309068 946439437 /nfs/dbraw/zinc/43/94/37/946439437.db2.gz WMGNLVSZCHTPCN-GFCCVEGCSA-N -1 1 392.414 1.661 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NCC2CCN(C(=O)[C@H]3CCC3(F)F)CC2)n1 ZINC001571309068 946439438 /nfs/dbraw/zinc/43/94/38/946439438.db2.gz WMGNLVSZCHTPCN-GFCCVEGCSA-N -1 1 392.414 1.661 20 0 GDADMM C[C@H]1CCN(C(=O)C2(C(F)F)CC2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571309428 946444981 /nfs/dbraw/zinc/44/49/81/946444981.db2.gz ZQPRPPXOPREMNV-WDEREUQCSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H]1CCN(C(=O)C2(C(F)F)CC2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571309428 946444985 /nfs/dbraw/zinc/44/49/85/946444985.db2.gz ZQPRPPXOPREMNV-WDEREUQCSA-N -1 1 392.414 1.599 20 0 GDADMM Cc1nsc(N[C@H]2CCN(C(=O)c3ncc(F)cc3F)C2)c1-c1nn[n-]n1 ZINC001571309415 946445070 /nfs/dbraw/zinc/44/50/70/946445070.db2.gz ZMRSIXJHSAOITL-VIFPVBQESA-N -1 1 392.395 1.631 20 0 GDADMM COc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nc(C)cc(-c3nnn[n-]3)n2)cc1 ZINC001571309785 946452675 /nfs/dbraw/zinc/45/26/75/946452675.db2.gz KQIHOAKNJOYZRI-KBPBESRZSA-N -1 1 392.423 1.077 20 0 GDADMM COc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nc(C)cc(-c3nn[n-]n3)n2)cc1 ZINC001571309785 946452685 /nfs/dbraw/zinc/45/26/85/946452685.db2.gz KQIHOAKNJOYZRI-KBPBESRZSA-N -1 1 392.423 1.077 20 0 GDADMM O=C(NC[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)[C@@H]1CCCCC1(F)F ZINC001571309774 946453821 /nfs/dbraw/zinc/45/38/21/946453821.db2.gz KKSMWKBRWNHPOP-SRVKXCTJSA-N -1 1 392.414 1.789 20 0 GDADMM O=C(NC[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)[C@@H]1CCCCC1(F)F ZINC001571309774 946453830 /nfs/dbraw/zinc/45/38/30/946453830.db2.gz KKSMWKBRWNHPOP-SRVKXCTJSA-N -1 1 392.414 1.789 20 0 GDADMM O=C(NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccc2c(c1)COC2 ZINC001571309840 946455519 /nfs/dbraw/zinc/45/55/19/946455519.db2.gz MHEMKJVESHWKPN-UHFFFAOYSA-N -1 1 392.423 1.307 20 0 GDADMM O=C(NCC1CC(Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccc2c(c1)COC2 ZINC001571309840 946455529 /nfs/dbraw/zinc/45/55/29/946455529.db2.gz MHEMKJVESHWKPN-UHFFFAOYSA-N -1 1 392.423 1.307 20 0 GDADMM O=C(C[C@H]1Cc2ccccc2O1)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571309947 946456745 /nfs/dbraw/zinc/45/67/45/946456745.db2.gz QFGBFPWIDDJFCS-UONOGXRCSA-N -1 1 392.423 1.063 20 0 GDADMM O=C(C[C@H]1Cc2ccccc2O1)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571309947 946456751 /nfs/dbraw/zinc/45/67/51/946456751.db2.gz QFGBFPWIDDJFCS-UONOGXRCSA-N -1 1 392.423 1.063 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)[C@@H]1CCC(F)(F)C1 ZINC001571310080 946461985 /nfs/dbraw/zinc/46/19/85/946461985.db2.gz UPQOYJSOSCWNEL-VXGBXAGGSA-N -1 1 392.414 1.567 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)[C@@H]1CCC(F)(F)C1 ZINC001571310080 946461993 /nfs/dbraw/zinc/46/19/93/946461993.db2.gz UPQOYJSOSCWNEL-VXGBXAGGSA-N -1 1 392.414 1.567 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)c1ccccc1 ZINC001571311458 946487598 /nfs/dbraw/zinc/48/75/98/946487598.db2.gz XXZMKGIBQISPSA-OAHLLOKOSA-N -1 1 392.467 1.720 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)c1ccccc1 ZINC001571311458 946487602 /nfs/dbraw/zinc/48/76/02/946487602.db2.gz XXZMKGIBQISPSA-OAHLLOKOSA-N -1 1 392.467 1.720 20 0 GDADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H]1CCCN(C(=O)C2C=CC=CC=C2)C1 ZINC001571311536 946488961 /nfs/dbraw/zinc/48/89/61/946488961.db2.gz ZOUMRDPNARPQTF-ZBFHGGJFSA-N -1 1 392.467 1.994 20 0 GDADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H]1CCCN(C(=O)C2C=CC=CC=C2)C1 ZINC001571311536 946488972 /nfs/dbraw/zinc/48/89/72/946488972.db2.gz ZOUMRDPNARPQTF-ZBFHGGJFSA-N -1 1 392.467 1.994 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1)c1ccccc1 ZINC001571313465 946524106 /nfs/dbraw/zinc/52/41/06/946524106.db2.gz OWQGEXWDQKPKGY-GDBMZVCRSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1)c1ccccc1 ZINC001571313465 946524115 /nfs/dbraw/zinc/52/41/15/946524115.db2.gz OWQGEXWDQKPKGY-GDBMZVCRSA-N -1 1 392.467 1.936 20 0 GDADMM CCc1ccc(C(=O)NC[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001571313786 946533395 /nfs/dbraw/zinc/53/33/95/946533395.db2.gz WEWNVDWZFRIZFM-HNNXBMFYSA-N -1 1 392.467 1.866 20 0 GDADMM CCc1ccc(C(=O)NC[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001571313786 946533405 /nfs/dbraw/zinc/53/34/05/946533405.db2.gz WEWNVDWZFRIZFM-HNNXBMFYSA-N -1 1 392.467 1.866 20 0 GDADMM CC(=O)Nc1cc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)ccc1Cl ZINC000824000014 946538818 /nfs/dbraw/zinc/53/88/18/946538818.db2.gz QSWHDSSFWJJCJD-UHFFFAOYSA-N -1 1 375.776 1.956 20 0 GDADMM CC(=O)Nc1cc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)ccc1Cl ZINC000824000014 946538829 /nfs/dbraw/zinc/53/88/29/946538829.db2.gz QSWHDSSFWJJCJD-UHFFFAOYSA-N -1 1 375.776 1.956 20 0 GDADMM Cc1ccc(C)c(CC(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571315245 946550083 /nfs/dbraw/zinc/55/00/83/946550083.db2.gz IAINLEWFIFWHOX-RHSMWYFYSA-N -1 1 392.467 1.775 20 0 GDADMM Cc1ccc(C)c(CC(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571315245 946550091 /nfs/dbraw/zinc/55/00/91/946550091.db2.gz IAINLEWFIFWHOX-RHSMWYFYSA-N -1 1 392.467 1.775 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@H]([C@@H](C)Nc3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001571315401 946553937 /nfs/dbraw/zinc/55/39/37/946553937.db2.gz JMTQFGICUIZYKD-ZBFHGGJFSA-N -1 1 392.467 1.857 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@H]([C@@H](C)Nc3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001571315401 946553945 /nfs/dbraw/zinc/55/39/45/946553945.db2.gz JMTQFGICUIZYKD-ZBFHGGJFSA-N -1 1 392.467 1.857 20 0 GDADMM Cc1ccc(CC(=O)N2CCC(Nc3nccnc3-c3nnn[n-]3)CC2)cc1C ZINC001571315797 946559273 /nfs/dbraw/zinc/55/92/73/946559273.db2.gz OGYTUEIYZHAJSK-UHFFFAOYSA-N -1 1 392.467 1.919 20 0 GDADMM Cc1ccc(CC(=O)N2CCC(Nc3nccnc3-c3nn[n-]n3)CC2)cc1C ZINC001571315797 946559283 /nfs/dbraw/zinc/55/92/83/946559283.db2.gz OGYTUEIYZHAJSK-UHFFFAOYSA-N -1 1 392.467 1.919 20 0 GDADMM Cc1ccccc1CC(=O)N1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1 ZINC001571316413 946577833 /nfs/dbraw/zinc/57/78/33/946577833.db2.gz BYNFNWFNWVVLKD-INIZCTEOSA-N -1 1 392.467 1.857 20 0 GDADMM Cc1ccccc1CC(=O)N1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C1 ZINC001571316413 946577843 /nfs/dbraw/zinc/57/78/43/946577843.db2.gz BYNFNWFNWVVLKD-INIZCTEOSA-N -1 1 392.467 1.857 20 0 GDADMM Cc1cccc(CC(=O)N[C@@H]2CC[C@H](C)N(c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571316925 946593466 /nfs/dbraw/zinc/59/34/66/946593466.db2.gz QBZGSYXGQQTIGM-GOEBONIOSA-N -1 1 392.467 1.681 20 0 GDADMM Cc1cccc(CC(=O)N[C@@H]2CC[C@H](C)N(c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571316925 946593475 /nfs/dbraw/zinc/59/34/75/946593475.db2.gz QBZGSYXGQQTIGM-GOEBONIOSA-N -1 1 392.467 1.681 20 0 GDADMM Cc1ccccc1CC(=O)N1CC[C@@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571317235 946604322 /nfs/dbraw/zinc/60/43/22/946604322.db2.gz YOXPYTDDVDXCHD-HNNXBMFYSA-N -1 1 392.467 1.493 20 0 GDADMM Cc1ccccc1CC(=O)N1CC[C@@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571317235 946604327 /nfs/dbraw/zinc/60/43/27/946604327.db2.gz YOXPYTDDVDXCHD-HNNXBMFYSA-N -1 1 392.467 1.493 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccn(C)c2)C[C@H]1Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001571317356 946606207 /nfs/dbraw/zinc/60/62/07/946606207.db2.gz DYLARVJYZKCZBW-PSASIEDQSA-N -1 1 392.876 1.888 20 0 GDADMM Cn1ccc(C(=O)N[C@@H]2CCCN(c3nc(-c4nn[n-]n4)c(Cl)s3)C2)c1 ZINC001571317717 946618758 /nfs/dbraw/zinc/61/87/58/946618758.db2.gz SFJOENRUAFTZPU-SNVBAGLBSA-N -1 1 392.876 1.714 20 0 GDADMM CC(C)OCCCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824315152 946653913 /nfs/dbraw/zinc/65/39/13/946653913.db2.gz LYFJPPOOQYUIQD-UHFFFAOYSA-N -1 1 392.464 1.078 20 0 GDADMM CC(C)OCCCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824315152 946653919 /nfs/dbraw/zinc/65/39/19/946653919.db2.gz LYFJPPOOQYUIQD-UHFFFAOYSA-N -1 1 392.464 1.078 20 0 GDADMM CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nn[n-]n3)s2)cc1F ZINC001573555818 946916514 /nfs/dbraw/zinc/91/65/14/946916514.db2.gz QRRYQDNNOKJAOI-UHFFFAOYSA-N -1 1 381.414 1.748 20 0 GDADMM CCN(C(=O)Cc1noc(C)c1-c1nnn[n-]1)[C@H](COC)Cc1ccccc1 ZINC000825377119 947168541 /nfs/dbraw/zinc/16/85/41/947168541.db2.gz UEWCLLQCRKUPGH-HNNXBMFYSA-N -1 1 384.440 1.812 20 0 GDADMM CCN(C(=O)Cc1noc(C)c1-c1nn[n-]n1)[C@H](COC)Cc1ccccc1 ZINC000825377119 947168546 /nfs/dbraw/zinc/16/85/46/947168546.db2.gz UEWCLLQCRKUPGH-HNNXBMFYSA-N -1 1 384.440 1.812 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)Nc2ccc(C)cc2Cl)c1-c1nn[n-]n1 ZINC000825569822 947229254 /nfs/dbraw/zinc/22/92/54/947229254.db2.gz ACNINISUULIDNT-UHFFFAOYSA-N -1 1 389.803 1.840 20 0 GDADMM CCOC(=O)c1cnn(Cc2nc3c(C)cccc3c(=O)[nH]2)c1-c1nn[n-]n1 ZINC000825570317 947231384 /nfs/dbraw/zinc/23/13/84/947231384.db2.gz ICIOMFPFDUTBTC-UHFFFAOYSA-N -1 1 380.368 1.245 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H](C)c1ccccc1F ZINC001573586194 947279355 /nfs/dbraw/zinc/27/93/55/947279355.db2.gz LNJSHKBRGMZPHT-RYUDHWBXSA-N -1 1 384.419 1.280 20 0 GDADMM C=C/C(C)=C/CC(=O)N[C@@H]1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001573316840 947283088 /nfs/dbraw/zinc/28/30/88/947283088.db2.gz IJMYHLWYJYLEQZ-OFCDUSSDSA-N -1 1 382.472 1.961 20 0 GDADMM C=C/C(C)=C/CC(=O)N[C@@H]1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001573316840 947283098 /nfs/dbraw/zinc/28/30/98/947283098.db2.gz IJMYHLWYJYLEQZ-OFCDUSSDSA-N -1 1 382.472 1.961 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H](C)c1cccc(F)c1 ZINC001573586276 947283959 /nfs/dbraw/zinc/28/39/59/947283959.db2.gz NEAXGBKWOZALKX-RYUDHWBXSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H](C)c1cccc(F)c1 ZINC001573586276 947283966 /nfs/dbraw/zinc/28/39/66/947283966.db2.gz NEAXGBKWOZALKX-RYUDHWBXSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1cncc(-c2nnn[n-]2)n1)n1cccc1 ZINC001573591442 947310410 /nfs/dbraw/zinc/31/04/10/947310410.db2.gz BPWRRMZKTUIDJU-ZDUSSCGKSA-N -1 1 383.460 1.616 20 0 GDADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1cncc(-c2nn[n-]n2)n1)n1cccc1 ZINC001573591442 947310426 /nfs/dbraw/zinc/31/04/26/947310426.db2.gz BPWRRMZKTUIDJU-ZDUSSCGKSA-N -1 1 383.460 1.616 20 0 GDADMM C[C@H](C(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1)c1cccnc1 ZINC001573591495 947311726 /nfs/dbraw/zinc/31/17/26/947311726.db2.gz BXGBPWYLPHZUQO-LBPRGKRZSA-N -1 1 383.481 1.770 20 0 GDADMM C[C@@H](C(=O)N(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)C(F)(F)F ZINC001573593331 947368622 /nfs/dbraw/zinc/36/86/22/947368622.db2.gz JVCVUTZIDLNNLV-GZMMTYOYSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@@H](C(=O)N(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)C(F)(F)F ZINC001573593331 947368636 /nfs/dbraw/zinc/36/86/36/947368636.db2.gz JVCVUTZIDLNNLV-GZMMTYOYSA-N -1 1 384.366 1.504 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1cnc2c(c1)CCCC2 ZINC000825930090 947373568 /nfs/dbraw/zinc/37/35/68/947373568.db2.gz POFYGRSMKWFGSO-UHFFFAOYSA-N -1 1 396.459 1.542 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1cnc2c(c1)CCCC2 ZINC000825930090 947373577 /nfs/dbraw/zinc/37/35/77/947373577.db2.gz POFYGRSMKWFGSO-UHFFFAOYSA-N -1 1 396.459 1.542 20 0 GDADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1ccnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573594066 947386848 /nfs/dbraw/zinc/38/68/48/947386848.db2.gz WZKACXGLVGOSCG-SECBINFHSA-N -1 1 386.382 1.174 20 0 GDADMM C[C@H](C(=O)N(C)CCNc1nc(Cl)c(-c2nnn[n-]2)s1)[C@H]1CCCO1 ZINC001573604760 947517397 /nfs/dbraw/zinc/51/73/97/947517397.db2.gz RDXNVJRBXYVIMI-DTWKUNHWSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@H](C(=O)N(C)CCNc1nc(Cl)c(-c2nn[n-]n2)s1)[C@H]1CCCO1 ZINC001573604760 947517402 /nfs/dbraw/zinc/51/74/02/947517402.db2.gz RDXNVJRBXYVIMI-DTWKUNHWSA-N -1 1 385.881 1.662 20 0 GDADMM CC(C)N(CCN(C)c1cncc(-c2nnn[n-]2)n1)C(=O)[C@H](C)[C@H]1CCCO1 ZINC001573605280 947529216 /nfs/dbraw/zinc/52/92/16/947529216.db2.gz UXUBBTIKZFSZFN-UKRRQHHQSA-N -1 1 388.476 1.145 20 0 GDADMM CC(C)N(CCN(C)c1cncc(-c2nn[n-]n2)n1)C(=O)[C@H](C)[C@H]1CCCO1 ZINC001573605280 947529231 /nfs/dbraw/zinc/52/92/31/947529231.db2.gz UXUBBTIKZFSZFN-UKRRQHHQSA-N -1 1 388.476 1.145 20 0 GDADMM COc1cc(CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)ccc1OC(C)C ZINC000826179404 947556561 /nfs/dbraw/zinc/55/65/61/947556561.db2.gz MZSSNWCGYIVBCM-UHFFFAOYSA-N -1 1 386.412 1.818 20 0 GDADMM COc1cc(CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)ccc1OC(C)C ZINC000826179404 947556575 /nfs/dbraw/zinc/55/65/75/947556575.db2.gz MZSSNWCGYIVBCM-UHFFFAOYSA-N -1 1 386.412 1.818 20 0 GDADMM C[C@@H](C(=O)N1CCC(CCN(C)c2cnc(-c3nnn[n-]3)cn2)CC1)C1CC1 ZINC001573614171 947578100 /nfs/dbraw/zinc/57/81/00/947578100.db2.gz CPDGZFNUVGVNKB-CYBMUJFWSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](C(=O)N1CCC(CCN(C)c2cnc(-c3nn[n-]n3)cn2)CC1)C1CC1 ZINC001573614171 947578107 /nfs/dbraw/zinc/57/81/07/947578107.db2.gz CPDGZFNUVGVNKB-CYBMUJFWSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CN(C)c2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001573614206 947581426 /nfs/dbraw/zinc/58/14/26/947581426.db2.gz DAHLTJCSDMSBKR-ZIAGYGMSSA-N -1 1 381.444 1.004 20 0 GDADMM C[C@@H](C(=O)N1CC[C@](C)(CNc2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001573614779 947593205 /nfs/dbraw/zinc/59/32/05/947593205.db2.gz OZRJFKKHMMFHKP-LKFCYVNXSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@@H](C(=O)N1CC[C@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001573614779 947593208 /nfs/dbraw/zinc/59/32/08/947593208.db2.gz OZRJFKKHMMFHKP-LKFCYVNXSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001573615135 947599724 /nfs/dbraw/zinc/59/97/24/947599724.db2.gz HTVSMQXVYXCDQW-UONOGXRCSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CCNc2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001573615135 947599731 /nfs/dbraw/zinc/59/97/31/947599731.db2.gz HTVSMQXVYXCDQW-UONOGXRCSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@H](C(=O)N1CCC(N(C)c2cnc(-c3nnn[n-]3)cn2)CC1)C(F)(F)F ZINC001573615265 947602815 /nfs/dbraw/zinc/60/28/15/947602815.db2.gz CVRXYVMYCWTSGK-SECBINFHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@H](C(=O)N1CCC(N(C)c2cnc(-c3nn[n-]n3)cn2)CC1)C(F)(F)F ZINC001573615265 947602821 /nfs/dbraw/zinc/60/28/21/947602821.db2.gz CVRXYVMYCWTSGK-SECBINFHSA-N -1 1 384.366 1.282 20 0 GDADMM COc1ccc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)cc1N1CCOC1=O ZINC000826209570 947611032 /nfs/dbraw/zinc/61/10/32/947611032.db2.gz HXTLUYPQPPRWHH-UHFFFAOYSA-N -1 1 399.367 1.310 20 0 GDADMM COc1ccc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)cc1N1CCOC1=O ZINC000826209570 947611038 /nfs/dbraw/zinc/61/10/38/947611038.db2.gz HXTLUYPQPPRWHH-UHFFFAOYSA-N -1 1 399.367 1.310 20 0 GDADMM COc1ccc(OC)c(CCCNC(=O)Cc2noc(C)c2-c2nnn[n-]2)c1 ZINC000826210735 947615685 /nfs/dbraw/zinc/61/56/85/947615685.db2.gz CCNDTYHLVLYDFH-UHFFFAOYSA-N -1 1 386.412 1.472 20 0 GDADMM COc1ccc(OC)c(CCCNC(=O)Cc2noc(C)c2-c2nn[n-]n2)c1 ZINC000826210735 947615694 /nfs/dbraw/zinc/61/56/94/947615694.db2.gz CCNDTYHLVLYDFH-UHFFFAOYSA-N -1 1 386.412 1.472 20 0 GDADMM COc1cccc([C@@H]2CN(C(=O)Cc3noc(C)c3-c3nnn[n-]3)CCO2)c1 ZINC000826215104 947629124 /nfs/dbraw/zinc/62/91/24/947629124.db2.gz GWSZARFFGOJSJN-HNNXBMFYSA-N -1 1 384.396 1.314 20 0 GDADMM COc1cccc([C@@H]2CN(C(=O)Cc3noc(C)c3-c3nn[n-]n3)CCO2)c1 ZINC000826215104 947629130 /nfs/dbraw/zinc/62/91/30/947629130.db2.gz GWSZARFFGOJSJN-HNNXBMFYSA-N -1 1 384.396 1.314 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CN(C)c2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001573617262 947633905 /nfs/dbraw/zinc/63/39/05/947633905.db2.gz ONVNHAWAGWMVST-UWVGGRQHSA-N -1 1 384.366 1.140 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CN(C)c2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001573617262 947633918 /nfs/dbraw/zinc/63/39/18/947633918.db2.gz ONVNHAWAGWMVST-UWVGGRQHSA-N -1 1 384.366 1.140 20 0 GDADMM C=Cc1ccc(C(=O)N2CCO[C@H](CNc3nccnc3-c3nnn[n-]3)C2)cc1 ZINC001573354591 947634560 /nfs/dbraw/zinc/63/45/60/947634560.db2.gz DPJOOOXSWKIXRF-OAHLLOKOSA-N -1 1 392.423 1.253 20 0 GDADMM C=Cc1ccc(C(=O)N2CCO[C@H](CNc3nccnc3-c3nn[n-]n3)C2)cc1 ZINC001573354591 947634566 /nfs/dbraw/zinc/63/45/66/947634566.db2.gz DPJOOOXSWKIXRF-OAHLLOKOSA-N -1 1 392.423 1.253 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@H]2CN(c3nccnc3-c3nnn[n-]3)CC2(C)C)cc1 ZINC001573354901 947638296 /nfs/dbraw/zinc/63/82/96/947638296.db2.gz JUMLTZMIUYDNMV-OAHLLOKOSA-N -1 1 390.451 1.945 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[n-]n3)CC2(C)C)cc1 ZINC001573354901 947638304 /nfs/dbraw/zinc/63/83/04/947638304.db2.gz JUMLTZMIUYDNMV-OAHLLOKOSA-N -1 1 390.451 1.945 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1ccsc1 ZINC001573619206 947660289 /nfs/dbraw/zinc/66/02/89/947660289.db2.gz USZADKPBLPHSFO-NEPJUHHUSA-N -1 1 384.469 1.782 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1ccsc1 ZINC001573619206 947660295 /nfs/dbraw/zinc/66/02/95/947660295.db2.gz USZADKPBLPHSFO-NEPJUHHUSA-N -1 1 384.469 1.782 20 0 GDADMM C[C@H](C(=O)N1CCC(CNc2nccnc2-c2nnn[n-]2)CC1)C(C)(F)F ZINC001573619258 947662789 /nfs/dbraw/zinc/66/27/89/947662789.db2.gz VFHMWSQEPBBHAM-SNVBAGLBSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H](C(=O)N1CCC(CNc2nccnc2-c2nn[n-]n2)CC1)C(C)(F)F ZINC001573619258 947662796 /nfs/dbraw/zinc/66/27/96/947662796.db2.gz VFHMWSQEPBBHAM-SNVBAGLBSA-N -1 1 380.403 1.599 20 0 GDADMM CSc1cc2c(cc1NC(=O)Cc1noc(C)c1-c1nnn[n-]1)OCCO2 ZINC000826230122 947675665 /nfs/dbraw/zinc/67/56/65/947675665.db2.gz FEGAHBRDWOXCGO-UHFFFAOYSA-N -1 1 388.409 1.837 20 0 GDADMM CSc1cc2c(cc1NC(=O)Cc1noc(C)c1-c1nn[n-]n1)OCCO2 ZINC000826230122 947675670 /nfs/dbraw/zinc/67/56/70/947675670.db2.gz FEGAHBRDWOXCGO-UHFFFAOYSA-N -1 1 388.409 1.837 20 0 GDADMM C=Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001573359686 947689269 /nfs/dbraw/zinc/68/92/69/947689269.db2.gz XWVSRCVLDLXEMK-PVAVHDDUSA-N -1 1 388.435 1.839 20 0 GDADMM C=Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001573359686 947689273 /nfs/dbraw/zinc/68/92/73/947689273.db2.gz XWVSRCVLDLXEMK-PVAVHDDUSA-N -1 1 388.435 1.839 20 0 GDADMM C/C(=C/C(=O)NCc1ccc(CNc2ccnc(-c3nn[n-]n3)n2)cc1)C1CC1 ZINC001573361529 947691821 /nfs/dbraw/zinc/69/18/21/947691821.db2.gz ATTYRMNCKYAJSD-RAXLEYEMSA-N -1 1 390.451 1.663 20 0 GDADMM C/C(=C/C(=O)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)[C@@H](C)C1)C1CC1 ZINC001573364925 947725467 /nfs/dbraw/zinc/72/54/67/947725467.db2.gz RVMNNJWPTBELSN-KPXZUXBZSA-N -1 1 382.472 1.910 20 0 GDADMM C/C(=C/C(=O)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)[C@@H](C)C1)C1CC1 ZINC001573364925 947725472 /nfs/dbraw/zinc/72/54/72/947725472.db2.gz RVMNNJWPTBELSN-KPXZUXBZSA-N -1 1 382.472 1.910 20 0 GDADMM C/C(=C/C(=O)NCC1[C@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@@H]12)C1CC1 ZINC001573365932 947734923 /nfs/dbraw/zinc/73/49/23/947734923.db2.gz VKHCWJAQOJBGIS-BIQXXFLISA-N -1 1 380.456 1.120 20 0 GDADMM C/C(=C/C(=O)NCC1[C@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@@H]12)C1CC1 ZINC001573365932 947734932 /nfs/dbraw/zinc/73/49/32/947734932.db2.gz VKHCWJAQOJBGIS-BIQXXFLISA-N -1 1 380.456 1.120 20 0 GDADMM C/C(=C\C(=O)NCC1[C@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@@H]12)C1CC1 ZINC001573365942 947736362 /nfs/dbraw/zinc/73/63/62/947736362.db2.gz VKHCWJAQOJBGIS-PUCQIVSISA-N -1 1 380.456 1.120 20 0 GDADMM C/C(=C\C(=O)NCC1[C@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@@H]12)C1CC1 ZINC001573365942 947736374 /nfs/dbraw/zinc/73/63/74/947736374.db2.gz VKHCWJAQOJBGIS-PUCQIVSISA-N -1 1 380.456 1.120 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001573628150 947748529 /nfs/dbraw/zinc/74/85/29/947748529.db2.gz FPYHGVDVLRUFPV-UONOGXRCSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001573628150 947748533 /nfs/dbraw/zinc/74/85/33/947748533.db2.gz FPYHGVDVLRUFPV-UONOGXRCSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cccnc1 ZINC001573628604 947759144 /nfs/dbraw/zinc/75/91/44/947759144.db2.gz IZWJLEVXVJQNDX-GXTWGEPZSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573628604 947759149 /nfs/dbraw/zinc/75/91/49/947759149.db2.gz IZWJLEVXVJQNDX-GXTWGEPZSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1cncc(-c2nnn[n-]2)n1)c1ccco1 ZINC001573628899 947766930 /nfs/dbraw/zinc/76/69/30/947766930.db2.gz PBHFPRFVYVGAML-OLZOCXBDSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1cncc(-c2nn[n-]n2)n1)c1ccco1 ZINC001573628899 947766938 /nfs/dbraw/zinc/76/69/38/947766938.db2.gz PBHFPRFVYVGAML-OLZOCXBDSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1cncc(-c2nnn[n-]2)n1)C1CCCC1 ZINC001573628870 947767595 /nfs/dbraw/zinc/76/75/95/947767595.db2.gz OSUSSTDZHPDSCO-UKRRQHHQSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1cncc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573628870 947767600 /nfs/dbraw/zinc/76/76/00/947767600.db2.gz OSUSSTDZHPDSCO-UKRRQHHQSA-N -1 1 384.488 1.910 20 0 GDADMM Cc1cc(C)nc(N2CCN(c3c4ccccc4nnc3-c3nnn[n-]3)CC2)n1 ZINC000826265910 947769186 /nfs/dbraw/zinc/76/91/86/947769186.db2.gz SQSSINYGFGAVST-UHFFFAOYSA-N -1 1 388.439 1.543 20 0 GDADMM Cc1cc(C)nc(N2CCN(c3c4ccccc4nnc3-c3nn[n-]n3)CC2)n1 ZINC000826265910 947769190 /nfs/dbraw/zinc/76/91/90/947769190.db2.gz SQSSINYGFGAVST-UHFFFAOYSA-N -1 1 388.439 1.543 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1)C1CCC1 ZINC001573629030 947771565 /nfs/dbraw/zinc/77/15/65/947771565.db2.gz LRMWINUBYYWUAD-BFUOFWGJSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1)C1CCC1 ZINC001573629030 947771576 /nfs/dbraw/zinc/77/15/76/947771576.db2.gz LRMWINUBYYWUAD-BFUOFWGJSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1)c1ccco1 ZINC001573629394 947778815 /nfs/dbraw/zinc/77/88/15/947778815.db2.gz SVJBLHLUUOJLBR-CHWSQXEVSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1)c1ccco1 ZINC001573629394 947778825 /nfs/dbraw/zinc/77/88/25/947778825.db2.gz SVJBLHLUUOJLBR-CHWSQXEVSA-N -1 1 382.428 1.481 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@H]1[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573372790 947781558 /nfs/dbraw/zinc/78/15/58/947781558.db2.gz CMNPIEJYSPHLMF-KGLIPLIRSA-N -1 1 386.460 1.019 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573630233 947788849 /nfs/dbraw/zinc/78/88/49/947788849.db2.gz WYJWTSJTZRJFRD-VHSXEESVSA-N -1 1 384.366 1.070 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)nn1)C(C)(C)C ZINC001573630523 947792302 /nfs/dbraw/zinc/79/23/02/947792302.db2.gz YJUHRNXNHFHWQU-VHDGCEQUSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)nn1)C(C)(C)C ZINC001573630523 947792309 /nfs/dbraw/zinc/79/23/09/947792309.db2.gz YJUHRNXNHFHWQU-VHDGCEQUSA-N -1 1 384.488 1.909 20 0 GDADMM CC(=O)CCCC(=O)NC1(C)CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573373424 947792330 /nfs/dbraw/zinc/79/23/30/947792330.db2.gz CKZDRAUWLSIMBL-UHFFFAOYSA-N -1 1 391.501 1.866 20 0 GDADMM C[C@@H](C(=O)N1CC[C@]2(C1)CCCN(c1ccnc(-c3nn[n-]n3)n1)C2)C1CC1 ZINC001573630642 947795621 /nfs/dbraw/zinc/79/56/21/947795621.db2.gz RJYNIPPPOUWGBA-BFUOFWGJSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H](C(=O)N1CCC2(CCN(c3nccnc3-c3nnn[n-]3)C2)CC1)C1CC1 ZINC001573631346 947798958 /nfs/dbraw/zinc/79/89/58/947798958.db2.gz USXFDXFJIBVNFY-CYBMUJFWSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H](C(=O)N1CCC2(CCN(c3nccnc3-c3nn[n-]n3)C2)CC1)C1CC1 ZINC001573631346 947798965 /nfs/dbraw/zinc/79/89/65/947798965.db2.gz USXFDXFJIBVNFY-CYBMUJFWSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001573631333 947800063 /nfs/dbraw/zinc/80/00/63/947800063.db2.gz UQZQNWPVQIGYNB-CHWSQXEVSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001573631333 947800071 /nfs/dbraw/zinc/80/00/71/947800071.db2.gz UQZQNWPVQIGYNB-CHWSQXEVSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573631461 947801716 /nfs/dbraw/zinc/80/17/16/947801716.db2.gz VIDIIDPWSHOJTE-DZGCQCFKSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001573631750 947804785 /nfs/dbraw/zinc/80/47/85/947804785.db2.gz WJKBRUGOFWTMDL-KBPBESRZSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001573631750 947804801 /nfs/dbraw/zinc/80/48/01/947804801.db2.gz WJKBRUGOFWTMDL-KBPBESRZSA-N -1 1 381.444 1.370 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@H](C)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001573374216 947806916 /nfs/dbraw/zinc/80/69/16/947806916.db2.gz NKHUJWXOFHTVQC-GXTWGEPZSA-N -1 1 386.460 1.455 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@H](C)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001573374216 947806922 /nfs/dbraw/zinc/80/69/22/947806922.db2.gz NKHUJWXOFHTVQC-GXTWGEPZSA-N -1 1 386.460 1.455 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@H]1[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001573374726 947814441 /nfs/dbraw/zinc/81/44/41/947814441.db2.gz PMUWFSVKRDYQMC-KGLIPLIRSA-N -1 1 386.460 1.598 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@H]1[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001573374726 947814451 /nfs/dbraw/zinc/81/44/51/947814451.db2.gz PMUWFSVKRDYQMC-KGLIPLIRSA-N -1 1 386.460 1.598 20 0 GDADMM CC(=O)CCCC(=O)N1CCCCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573375104 947816514 /nfs/dbraw/zinc/81/65/14/947816514.db2.gz QTWFVGCSZYEKMF-CQSZACIVSA-N -1 1 386.460 1.599 20 0 GDADMM CC(=O)CCCC(=O)N1CCCCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573375104 947816519 /nfs/dbraw/zinc/81/65/19/947816519.db2.gz QTWFVGCSZYEKMF-CQSZACIVSA-N -1 1 386.460 1.599 20 0 GDADMM Cc1onc(CC(=O)N2CCC(O)(c3cccc(C)c3C)CC2)c1-c1nnn[n-]1 ZINC000826297109 947858305 /nfs/dbraw/zinc/85/83/05/947858305.db2.gz VMBLMXOQMLBDIH-UHFFFAOYSA-N -1 1 396.451 1.833 20 0 GDADMM Cc1onc(CC(=O)N2CCC(O)(c3cccc(C)c3C)CC2)c1-c1nn[n-]n1 ZINC000826297109 947858311 /nfs/dbraw/zinc/85/83/11/947858311.db2.gz VMBLMXOQMLBDIH-UHFFFAOYSA-N -1 1 396.451 1.833 20 0 GDADMM CC(=O)CCCC(=O)NC[C@H](Nc1snc(C)c1-c1nn[n-]n1)C1CC1 ZINC001573380509 947858462 /nfs/dbraw/zinc/85/84/62/947858462.db2.gz DNBCSVDXRIDENF-LBPRGKRZSA-N -1 1 377.474 1.698 20 0 GDADMM CC(=O)CCCC(=O)NC[C@H](Nc1snc(C)c1-c1nn[n-]n1)C(C)C ZINC001573381325 947872866 /nfs/dbraw/zinc/87/28/66/947872866.db2.gz SWASHQQFHLOFQA-LBPRGKRZSA-N -1 1 379.490 1.944 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573383850 947896963 /nfs/dbraw/zinc/89/69/63/947896963.db2.gz CVLOELDLWIXOKC-HDJSIYSDSA-N -1 1 386.460 1.503 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573383850 947896975 /nfs/dbraw/zinc/89/69/75/947896975.db2.gz CVLOELDLWIXOKC-HDJSIYSDSA-N -1 1 386.460 1.503 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001573384509 947904960 /nfs/dbraw/zinc/90/49/60/947904960.db2.gz QEYYJOCWPMTVAF-HDJSIYSDSA-N -1 1 386.460 1.503 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001573384509 947904972 /nfs/dbraw/zinc/90/49/72/947904972.db2.gz QEYYJOCWPMTVAF-HDJSIYSDSA-N -1 1 386.460 1.503 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1)C(C)(C)C ZINC001573651275 947919385 /nfs/dbraw/zinc/91/93/85/947919385.db2.gz KWSHIJVUZDTCQD-MCIONIFRSA-N -1 1 384.488 1.624 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1)C(C)(C)C ZINC001573651275 947919389 /nfs/dbraw/zinc/91/93/89/947919389.db2.gz KWSHIJVUZDTCQD-MCIONIFRSA-N -1 1 384.488 1.624 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1)C(F)(F)F ZINC001573651690 947922938 /nfs/dbraw/zinc/92/29/38/947922938.db2.gz OUTZEANRCFMLDF-AXFHLTTASA-N -1 1 396.377 1.140 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1)C(F)(F)F ZINC001573651690 947922943 /nfs/dbraw/zinc/92/29/43/947922943.db2.gz OUTZEANRCFMLDF-AXFHLTTASA-N -1 1 396.377 1.140 20 0 GDADMM C[C@H](C(=O)N[C@@](C)(CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)C(C)(F)F ZINC001573652579 947942430 /nfs/dbraw/zinc/94/24/30/947942430.db2.gz DURUPEKEZCBDHY-PSLIRLAXSA-N -1 1 380.403 1.067 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C(C)(C)C)C(C)(F)F ZINC001573652669 947944024 /nfs/dbraw/zinc/94/40/24/947944024.db2.gz GEQYVPZNXWFFEB-KOLCDFICSA-N -1 1 382.419 1.891 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C(C)(C)C)C(C)(F)F ZINC001573652669 947944030 /nfs/dbraw/zinc/94/40/30/947944030.db2.gz GEQYVPZNXWFFEB-KOLCDFICSA-N -1 1 382.419 1.891 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@@H]1CCCOCC1 ZINC000826328675 947957479 /nfs/dbraw/zinc/95/74/79/947957479.db2.gz ZAVIWXXDHWTGCX-CYBMUJFWSA-N -1 1 384.444 1.144 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@@H]1CCCOCC1 ZINC000826328675 947957488 /nfs/dbraw/zinc/95/74/88/947957488.db2.gz ZAVIWXXDHWTGCX-CYBMUJFWSA-N -1 1 384.444 1.144 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C(C)(C)C)c1ccco1 ZINC001573653903 947959368 /nfs/dbraw/zinc/95/93/68/947959368.db2.gz NUBIJFHALGTNMF-FZMZJTMJSA-N -1 1 384.444 1.996 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C(C)(C)C)c1ccco1 ZINC001573653903 947959374 /nfs/dbraw/zinc/95/93/74/947959374.db2.gz NUBIJFHALGTNMF-FZMZJTMJSA-N -1 1 384.444 1.996 20 0 GDADMM CC(C(=O)N[C@@H](C)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)=C1CCC1 ZINC001573653647 947959916 /nfs/dbraw/zinc/95/99/16/947959916.db2.gz MRQZPMPBZWKZHQ-ZFWWWQNUSA-N -1 1 382.472 1.878 20 0 GDADMM CC(C(=O)N[C@@H](C)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)=C1CCC1 ZINC001573653647 947959921 /nfs/dbraw/zinc/95/99/21/947959921.db2.gz MRQZPMPBZWKZHQ-ZFWWWQNUSA-N -1 1 382.472 1.878 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C(C)(C)C)C(C)(F)F ZINC001573654234 947962983 /nfs/dbraw/zinc/96/29/83/947962983.db2.gz PTWQXYIHFFJETM-VHSXEESVSA-N -1 1 382.419 1.891 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C(C)(C)C)C(C)(F)F ZINC001573654234 947962994 /nfs/dbraw/zinc/96/29/94/947962994.db2.gz PTWQXYIHFFJETM-VHSXEESVSA-N -1 1 382.419 1.891 20 0 GDADMM C[C@H](C(=O)NC1(C)CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C(C)(F)F ZINC001573657327 947998386 /nfs/dbraw/zinc/99/83/86/947998386.db2.gz LXFLPZLBGBBVKB-SNVBAGLBSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H](C(=O)NC1(C)CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C(C)(F)F ZINC001573657327 947998390 /nfs/dbraw/zinc/99/83/90/947998390.db2.gz LXFLPZLBGBBVKB-SNVBAGLBSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H](C(=O)NC1(C2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)CC1)C1CC1 ZINC001573657325 947999184 /nfs/dbraw/zinc/99/91/84/947999184.db2.gz LXCUGJKKVSGYAP-LBPRGKRZSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](C(=O)NC1(C2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)CC1)C1CC1 ZINC001573657325 947999191 /nfs/dbraw/zinc/99/91/91/947999191.db2.gz LXCUGJKKVSGYAP-LBPRGKRZSA-N -1 1 382.472 1.568 20 0 GDADMM Cc1onc(CC(=O)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)c1-c1nnn[n-]1 ZINC000826344118 948002152 /nfs/dbraw/zinc/00/21/52/948002152.db2.gz XTCQZRKTNCZNEU-LLVKDONJSA-N -1 1 389.460 1.105 20 0 GDADMM Cc1onc(CC(=O)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)c1-c1nn[n-]n1 ZINC000826344118 948002157 /nfs/dbraw/zinc/00/21/57/948002157.db2.gz XTCQZRKTNCZNEU-LLVKDONJSA-N -1 1 389.460 1.105 20 0 GDADMM Cc1onc(CC(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)c1-c1nnn[n-]1 ZINC000826344307 948004424 /nfs/dbraw/zinc/00/44/24/948004424.db2.gz DATSKOKFNWIKNK-CQSZACIVSA-N -1 1 390.350 1.584 20 0 GDADMM Cc1onc(CC(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)c1-c1nn[n-]n1 ZINC000826344307 948004430 /nfs/dbraw/zinc/00/44/30/948004430.db2.gz DATSKOKFNWIKNK-CQSZACIVSA-N -1 1 390.350 1.584 20 0 GDADMM Cc1onc(CC(=O)N2CCCC[C@H]2C(=O)OC(C)(C)C)c1-c1nnn[n-]1 ZINC000826344952 948016080 /nfs/dbraw/zinc/01/60/80/948016080.db2.gz XSMVBSSWBKRWDI-LBPRGKRZSA-N -1 1 376.417 1.428 20 0 GDADMM Cc1onc(CC(=O)N2CCCC[C@H]2C(=O)OC(C)(C)C)c1-c1nn[n-]n1 ZINC000826344952 948016092 /nfs/dbraw/zinc/01/60/92/948016092.db2.gz XSMVBSSWBKRWDI-LBPRGKRZSA-N -1 1 376.417 1.428 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c1-c1nnn[n-]1 ZINC000826344924 948016747 /nfs/dbraw/zinc/01/67/47/948016747.db2.gz WQYBXRITMIIIJF-AWEZNQCLSA-N -1 1 378.396 1.946 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c1-c1nn[n-]n1 ZINC000826344924 948016753 /nfs/dbraw/zinc/01/67/53/948016753.db2.gz WQYBXRITMIIIJF-AWEZNQCLSA-N -1 1 378.396 1.946 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](C)c2nc(-c3cccc(F)c3)no2)c1-c1nnn[n-]1 ZINC000826345515 948025583 /nfs/dbraw/zinc/02/55/83/948025583.db2.gz MVJRZDUUHWOHOH-QMMMGPOBSA-N -1 1 398.358 1.772 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](C)c2nc(-c3cccc(F)c3)no2)c1-c1nn[n-]n1 ZINC000826345515 948025592 /nfs/dbraw/zinc/02/55/92/948025592.db2.gz MVJRZDUUHWOHOH-QMMMGPOBSA-N -1 1 398.358 1.772 20 0 GDADMM Cc1onc(CC(=O)N[C@H]2CCN(C(=O)C3CCCCC3)C2)c1-c1nnn[n-]1 ZINC000826346710 948042139 /nfs/dbraw/zinc/04/21/39/948042139.db2.gz UDGXIXMDFGOGSS-ZDUSSCGKSA-N -1 1 387.444 1.003 20 0 GDADMM Cc1onc(CC(=O)N[C@H]2CCN(C(=O)C3CCCCC3)C2)c1-c1nn[n-]n1 ZINC000826346710 948042149 /nfs/dbraw/zinc/04/21/49/948042149.db2.gz UDGXIXMDFGOGSS-ZDUSSCGKSA-N -1 1 387.444 1.003 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)c1ccco1 ZINC001573663870 948044059 /nfs/dbraw/zinc/04/40/59/948044059.db2.gz BBIIQIDMTBBQBN-CHWSQXEVSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)c1ccco1 ZINC001573663870 948044070 /nfs/dbraw/zinc/04/40/70/948044070.db2.gz BBIIQIDMTBBQBN-CHWSQXEVSA-N -1 1 382.428 1.529 20 0 GDADMM Cc1onc(CC(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)c1-c1nnn[n-]1 ZINC000826346863 948044684 /nfs/dbraw/zinc/04/46/84/948044684.db2.gz XRYDRILDZLKYIQ-CYBMUJFWSA-N -1 1 381.396 1.017 20 0 GDADMM Cc1onc(CC(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)c1-c1nn[n-]n1 ZINC000826346863 948044695 /nfs/dbraw/zinc/04/46/95/948044695.db2.gz XRYDRILDZLKYIQ-CYBMUJFWSA-N -1 1 381.396 1.017 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2)C(C)(C)C ZINC001573664364 948052811 /nfs/dbraw/zinc/05/28/11/948052811.db2.gz UNKAAIVUJGHYLV-STQMWFEESA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C(C)(F)F ZINC001573665091 948066847 /nfs/dbraw/zinc/06/68/47/948066847.db2.gz IUNAGXPICXOURK-MNOVXSKESA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C(C)(F)F ZINC001573665091 948066852 /nfs/dbraw/zinc/06/68/52/948066852.db2.gz IUNAGXPICXOURK-MNOVXSKESA-N -1 1 380.403 1.423 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(N3CCOCC3)c(F)c2)c1-c1nnn[n-]1 ZINC000826348235 948067709 /nfs/dbraw/zinc/06/77/09/948067709.db2.gz CEPCKEAZMDZQDV-UHFFFAOYSA-N -1 1 387.375 1.320 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(N3CCOCC3)c(F)c2)c1-c1nn[n-]n1 ZINC000826348235 948067718 /nfs/dbraw/zinc/06/77/18/948067718.db2.gz CEPCKEAZMDZQDV-UHFFFAOYSA-N -1 1 387.375 1.320 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C(C)(F)F ZINC001573665090 948068412 /nfs/dbraw/zinc/06/84/12/948068412.db2.gz IUNAGXPICXOURK-GHMZBOCLSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C(C)(F)F ZINC001573665090 948068421 /nfs/dbraw/zinc/06/84/21/948068421.db2.gz IUNAGXPICXOURK-GHMZBOCLSA-N -1 1 380.403 1.423 20 0 GDADMM Cc1onc(CC(=O)Nc2cc(CCc3ccccc3)[nH]n2)c1-c1nnn[n-]1 ZINC000826348460 948075953 /nfs/dbraw/zinc/07/59/53/948075953.db2.gz NGUNOIYBMRFKFO-UHFFFAOYSA-N -1 1 378.396 1.853 20 0 GDADMM Cc1onc(CC(=O)Nc2cc(CCc3ccccc3)[nH]n2)c1-c1nn[n-]n1 ZINC000826348460 948075961 /nfs/dbraw/zinc/07/59/61/948075961.db2.gz NGUNOIYBMRFKFO-UHFFFAOYSA-N -1 1 378.396 1.853 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccsc1 ZINC001573665765 948077013 /nfs/dbraw/zinc/07/70/13/948077013.db2.gz MVEWYFWFRIYVNY-WCQYABFASA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccsc1 ZINC001573665765 948077021 /nfs/dbraw/zinc/07/70/21/948077021.db2.gz MVEWYFWFRIYVNY-WCQYABFASA-N -1 1 384.469 1.607 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(Cl)c(C[S@@](C)=O)c2)c1-c1nnn[n-]1 ZINC000826348640 948078836 /nfs/dbraw/zinc/07/88/36/948078836.db2.gz WULSZDUWHBEVDN-AREMUKBSSA-N -1 1 394.844 1.876 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(Cl)c(C[S@@](C)=O)c2)c1-c1nn[n-]n1 ZINC000826348640 948078843 /nfs/dbraw/zinc/07/88/43/948078843.db2.gz WULSZDUWHBEVDN-AREMUKBSSA-N -1 1 394.844 1.876 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C(C)(F)F ZINC001573667133 948094091 /nfs/dbraw/zinc/09/40/91/948094091.db2.gz YCWBGNSEESSGFA-MNOVXSKESA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C(C)(F)F ZINC001573667133 948094100 /nfs/dbraw/zinc/09/41/00/948094100.db2.gz YCWBGNSEESSGFA-MNOVXSKESA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1cccc(F)c1 ZINC001573672155 948110061 /nfs/dbraw/zinc/11/00/61/948110061.db2.gz HKCSPTYIUMNRFD-BXUZGUMPSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1cccc(F)c1 ZINC001573672155 948110064 /nfs/dbraw/zinc/11/00/64/948110064.db2.gz HKCSPTYIUMNRFD-BXUZGUMPSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@H](C(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)c1ccsc1 ZINC001573675416 948121176 /nfs/dbraw/zinc/12/11/76/948121176.db2.gz PWJPRSBBSLRXJI-NSHDSACASA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)c1ccsc1 ZINC001573675416 948121181 /nfs/dbraw/zinc/12/11/81/948121181.db2.gz PWJPRSBBSLRXJI-NSHDSACASA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1)C(C)(F)F ZINC001573675330 948121215 /nfs/dbraw/zinc/12/12/15/948121215.db2.gz PSPCJMTYTCZWIT-BQBZGAKWSA-N -1 1 391.835 1.963 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1)C(C)(F)F ZINC001573675330 948121221 /nfs/dbraw/zinc/12/12/21/948121221.db2.gz PSPCJMTYTCZWIT-BQBZGAKWSA-N -1 1 391.835 1.963 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1)n1cccc1 ZINC001573677247 948132600 /nfs/dbraw/zinc/13/26/00/948132600.db2.gz WYEWPUHXUNSKCI-VHSXEESVSA-N -1 1 392.876 1.734 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1)n1cccc1 ZINC001573677247 948132603 /nfs/dbraw/zinc/13/26/03/948132603.db2.gz WYEWPUHXUNSKCI-VHSXEESVSA-N -1 1 392.876 1.734 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)CC(C)(C)C1)C1CC1 ZINC001573677252 948134584 /nfs/dbraw/zinc/13/45/84/948134584.db2.gz WZHUOUWKOKOASL-JSGCOSHPSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)CC(C)(C)C1)C1CC1 ZINC001573677252 948134589 /nfs/dbraw/zinc/13/45/89/948134589.db2.gz WZHUOUWKOKOASL-JSGCOSHPSA-N -1 1 384.488 1.814 20 0 GDADMM CC(=O)N1C[C@H](C(=O)NCc2ccc(-c3nn[n-]n3)s2)Oc2ccccc21 ZINC001573421511 948140152 /nfs/dbraw/zinc/14/01/52/948140152.db2.gz GRHAZQBPKFIPLH-CQSZACIVSA-N -1 1 384.421 1.359 20 0 GDADMM C[C@@H](C(=O)NC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1)c1cccnc1 ZINC001573678291 948147303 /nfs/dbraw/zinc/14/73/03/948147303.db2.gz CKNTZXORWWWNKR-RISCZKNCSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@@H](C(=O)NC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1)c1cccnc1 ZINC001573678291 948147307 /nfs/dbraw/zinc/14/73/07/948147307.db2.gz CKNTZXORWWWNKR-RISCZKNCSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C)C1CCCC1 ZINC001573678361 948148808 /nfs/dbraw/zinc/14/88/08/948148808.db2.gz HFMQIEOTBVQTAJ-DOMZBBRYSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C)C1CCCC1 ZINC001573678361 948148818 /nfs/dbraw/zinc/14/88/18/948148818.db2.gz HFMQIEOTBVQTAJ-DOMZBBRYSA-N -1 1 384.488 1.814 20 0 GDADMM Fc1ccc(-c2nnc3n2C[C@H](Nc2ccc(-c4nnn[n-]4)nn2)CC3)cc1 ZINC000826373118 948159501 /nfs/dbraw/zinc/15/95/01/948159501.db2.gz ZRRHGAZWFFMTSZ-GFCCVEGCSA-N -1 1 378.375 1.481 20 0 GDADMM Fc1ccc(-c2nnc3n2C[C@H](Nc2ccc(-c4nn[n-]n4)nn2)CC3)cc1 ZINC000826373118 948159506 /nfs/dbraw/zinc/15/95/06/948159506.db2.gz ZRRHGAZWFFMTSZ-GFCCVEGCSA-N -1 1 378.375 1.481 20 0 GDADMM Fc1cccnc1N1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000826378270 948170214 /nfs/dbraw/zinc/17/02/14/948170214.db2.gz BSZQIGSTVSOKCK-UHFFFAOYSA-N -1 1 377.387 1.671 20 0 GDADMM Fc1cccnc1N1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000826378270 948170220 /nfs/dbraw/zinc/17/02/20/948170220.db2.gz BSZQIGSTVSOKCK-UHFFFAOYSA-N -1 1 377.387 1.671 20 0 GDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cc(OC(F)F)cc(OC(F)F)c1 ZINC000826394982 948203127 /nfs/dbraw/zinc/20/31/27/948203127.db2.gz HRJKZSYGEXEBIL-UHFFFAOYSA-N -1 1 387.253 1.537 20 0 GDADMM Nn1c(CSc2ccccc2)nnc1Sc1nccnc1-c1nn[n-]n1 ZINC000826396493 948207945 /nfs/dbraw/zinc/20/79/45/948207945.db2.gz BALMIRDNWCOXCG-UHFFFAOYSA-N -1 1 384.454 1.406 20 0 GDADMM CC(=O)N1CCC(CNc2cncc(-c3nnn[n-]3)n2)(c2ccccc2)CC1 ZINC001573434442 948212406 /nfs/dbraw/zinc/21/24/06/948212406.db2.gz RLNPKOFMJSGKSV-UHFFFAOYSA-N -1 1 378.440 1.649 20 0 GDADMM CC(=O)N1CCC(CNc2cncc(-c3nn[n-]n3)n2)(c2ccccc2)CC1 ZINC001573434442 948212412 /nfs/dbraw/zinc/21/24/12/948212412.db2.gz RLNPKOFMJSGKSV-UHFFFAOYSA-N -1 1 378.440 1.649 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCC1)c1cccs1 ZINC001573690817 948230753 /nfs/dbraw/zinc/23/07/53/948230753.db2.gz BOWHVGGBLVTGAL-LLVKDONJSA-N -1 1 384.469 1.973 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCC1)c1cccs1 ZINC001573690817 948230760 /nfs/dbraw/zinc/23/07/60/948230760.db2.gz BOWHVGGBLVTGAL-LLVKDONJSA-N -1 1 384.469 1.973 20 0 GDADMM C[C@@H](C(=O)NC[C@]1(C)CN(c2ccc(-c3nnn[n-]3)nn2)CCO1)C(C)(C)C ZINC001573691509 948242668 /nfs/dbraw/zinc/24/26/68/948242668.db2.gz JMRQWRYOPJWWHQ-KPZWWZAWSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@@H](C(=O)NC[C@]1(C)CN(c2ccc(-c3nn[n-]n3)nn2)CCO1)C(C)(C)C ZINC001573691509 948242675 /nfs/dbraw/zinc/24/26/75/948242675.db2.gz JMRQWRYOPJWWHQ-KPZWWZAWSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@H](C(=O)NCC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C1CCC1 ZINC001573692691 948270960 /nfs/dbraw/zinc/27/09/60/948270960.db2.gz QKXSQVMCEGMPPF-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NCC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C1CCC1 ZINC001573692691 948270968 /nfs/dbraw/zinc/27/09/68/948270968.db2.gz QKXSQVMCEGMPPF-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM O=C(NCCNc1ccc(-c2nn[nH]n2)cn1)c1ccc(C(F)(F)F)cc1[O-] ZINC000826437767 948293663 /nfs/dbraw/zinc/29/36/63/948293663.db2.gz AKNWVDZFXYWFSE-UHFFFAOYSA-N -1 1 393.329 1.828 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1)C1CCCC1 ZINC001573702606 948347154 /nfs/dbraw/zinc/34/71/54/948347154.db2.gz FVIUHDJISSNFFJ-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1)C1CCCC1 ZINC001573702606 948347162 /nfs/dbraw/zinc/34/71/62/948347162.db2.gz FVIUHDJISSNFFJ-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCCCN1c1cncc(-c2nnn[n-]2)n1)C1CCC1 ZINC001573703427 948355602 /nfs/dbraw/zinc/35/56/02/948355602.db2.gz JYUNPCFQKCLZLA-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCCCN1c1cncc(-c2nn[n-]n2)n1)C1CCC1 ZINC001573703427 948355606 /nfs/dbraw/zinc/35/56/06/948355606.db2.gz JYUNPCFQKCLZLA-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001573703563 948357664 /nfs/dbraw/zinc/35/76/64/948357664.db2.gz KXRCQTDMXQSOLB-QWHCGFSZSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001573703563 948357669 /nfs/dbraw/zinc/35/76/69/948357669.db2.gz KXRCQTDMXQSOLB-QWHCGFSZSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)c1ccsc1 ZINC001573704133 948365383 /nfs/dbraw/zinc/36/53/83/948365383.db2.gz PKCKHAUKXOKWOP-YPMHNXCESA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)c1ccsc1 ZINC001573704133 948365393 /nfs/dbraw/zinc/36/53/93/948365393.db2.gz PKCKHAUKXOKWOP-YPMHNXCESA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1CCCC1 ZINC001573704303 948370764 /nfs/dbraw/zinc/37/07/64/948370764.db2.gz RFNXZCCXBSHYCL-UONOGXRCSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1CCCC1 ZINC001573704303 948370771 /nfs/dbraw/zinc/37/07/71/948370771.db2.gz RFNXZCCXBSHYCL-UONOGXRCSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)C1CCCC1 ZINC001573704661 948378300 /nfs/dbraw/zinc/37/83/00/948378300.db2.gz UMGLNVPYQWBYHG-KGLIPLIRSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)C1CCCC1 ZINC001573704661 948378312 /nfs/dbraw/zinc/37/83/12/948378312.db2.gz UMGLNVPYQWBYHG-KGLIPLIRSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001573704647 948379202 /nfs/dbraw/zinc/37/92/02/948379202.db2.gz UEBHQPDSNMSXRU-ZJUUUORDSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001573704647 948379210 /nfs/dbraw/zinc/37/92/10/948379210.db2.gz UEBHQPDSNMSXRU-ZJUUUORDSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@H](C(=O)NCC=CCNc1cncc(-c2nnn[n-]2)n1)c1cccc(F)c1 ZINC001573705109 948390629 /nfs/dbraw/zinc/39/06/29/948390629.db2.gz CUIYPXPJURJUNW-JDGPPOGSSA-N -1 1 382.403 1.684 20 0 GDADMM C[C@H](C(=O)NCC=CCNc1cncc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001573705109 948390641 /nfs/dbraw/zinc/39/06/41/948390641.db2.gz CUIYPXPJURJUNW-JDGPPOGSSA-N -1 1 382.403 1.684 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1)C1CC1 ZINC001573705082 948390698 /nfs/dbraw/zinc/39/06/98/948390698.db2.gz CPKJWRVBADYKFW-WCQYABFASA-N -1 1 376.486 1.291 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CC[C@H](Cc2ccncc2)C1 ZINC000826495745 948409419 /nfs/dbraw/zinc/40/94/19/948409419.db2.gz ADACUJKVNMEJKF-CYBMUJFWSA-N -1 1 388.428 1.654 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CC[C@H](Cc2ccncc2)C1 ZINC000826495745 948409426 /nfs/dbraw/zinc/40/94/26/948409426.db2.gz ADACUJKVNMEJKF-CYBMUJFWSA-N -1 1 388.428 1.654 20 0 GDADMM C[C@@H](C(=O)NCC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001573714553 948474380 /nfs/dbraw/zinc/47/43/80/948474380.db2.gz ICYIDKKIOPRSSW-CHWSQXEVSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@H](C(=O)NCC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C(C)(F)F ZINC001573715341 948488129 /nfs/dbraw/zinc/48/81/29/948488129.db2.gz UOSCAUNKVASATG-MNOVXSKESA-N -1 1 380.403 1.281 20 0 GDADMM C[C@H](C(=O)NCC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C(C)(F)F ZINC001573715341 948488130 /nfs/dbraw/zinc/48/81/30/948488130.db2.gz UOSCAUNKVASATG-MNOVXSKESA-N -1 1 380.403 1.281 20 0 GDADMM C[C@H](C(=O)NCC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001573715521 948491010 /nfs/dbraw/zinc/49/10/10/948491010.db2.gz YBCZVWLDCTWHCQ-KGLIPLIRSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@H](C(=O)NCC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001573715521 948491016 /nfs/dbraw/zinc/49/10/16/948491016.db2.gz YBCZVWLDCTWHCQ-KGLIPLIRSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](C(=O)NCC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001573715554 948493244 /nfs/dbraw/zinc/49/32/44/948493244.db2.gz ZASSOPKOBDYAEB-VHSXEESVSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@H](C(=O)NCC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001573715554 948493247 /nfs/dbraw/zinc/49/32/47/948493247.db2.gz ZASSOPKOBDYAEB-VHSXEESVSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1nc(-c2nn[n-]n2)c(Cl)s1)c1cccnc1 ZINC001573720234 948532702 /nfs/dbraw/zinc/53/27/02/948532702.db2.gz QBVGADMPQCUEGC-SECBINFHSA-N -1 1 392.876 1.728 20 0 GDADMM C[C@H](C(=O)NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1)c1cccs1 ZINC001573720199 948532945 /nfs/dbraw/zinc/53/29/45/948532945.db2.gz PWBRRSNEEZFRBP-NSHDSACASA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1)c1cccs1 ZINC001573720199 948532947 /nfs/dbraw/zinc/53/29/47/948532947.db2.gz PWBRRSNEEZFRBP-NSHDSACASA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1)c1ccc(F)c(F)c1 ZINC001573720708 948533899 /nfs/dbraw/zinc/53/38/99/948533899.db2.gz SAKMMTNLLSUSDD-JTQLQIEISA-N -1 1 388.382 1.291 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1)c1ccc(F)c(F)c1 ZINC001573720708 948533909 /nfs/dbraw/zinc/53/39/09/948533909.db2.gz SAKMMTNLLSUSDD-JTQLQIEISA-N -1 1 388.382 1.291 20 0 GDADMM C[C@@H](C(=O)NCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1)c1cccs1 ZINC001573720984 948536120 /nfs/dbraw/zinc/53/61/20/948536120.db2.gz UGLAEJKOTZIFII-LLVKDONJSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)NCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1)c1cccs1 ZINC001573720984 948536127 /nfs/dbraw/zinc/53/61/27/948536127.db2.gz UGLAEJKOTZIFII-LLVKDONJSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C)C(F)(F)F ZINC001573725985 948545716 /nfs/dbraw/zinc/54/57/16/948545716.db2.gz DZDHPABWDMORDY-KXUCPTDWSA-N -1 1 384.366 1.044 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C)C(F)(F)F ZINC001573725985 948545720 /nfs/dbraw/zinc/54/57/20/948545720.db2.gz DZDHPABWDMORDY-KXUCPTDWSA-N -1 1 384.366 1.044 20 0 GDADMM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cccnc1 ZINC001573727995 948557059 /nfs/dbraw/zinc/55/70/59/948557059.db2.gz OFEGKDKGMQCVDJ-SGMGOOAPSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cccnc1 ZINC001573727995 948557067 /nfs/dbraw/zinc/55/70/67/948557067.db2.gz OFEGKDKGMQCVDJ-SGMGOOAPSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccsc1 ZINC001573729863 948571137 /nfs/dbraw/zinc/57/11/37/948571137.db2.gz VNSHTKZRQXSOHB-GMXVVIOVSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccsc1 ZINC001573729863 948571140 /nfs/dbraw/zinc/57/11/40/948571140.db2.gz VNSHTKZRQXSOHB-GMXVVIOVSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@H](C)n1cccc1 ZINC001573731162 948589110 /nfs/dbraw/zinc/58/91/10/948589110.db2.gz DZPAPLDYUKGIIB-IUCAKERBSA-N -1 1 380.865 1.956 20 0 GDADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1)C(F)(F)F ZINC001573739931 948625623 /nfs/dbraw/zinc/62/56/23/948625623.db2.gz ITYJLYIXRFJXMY-KYXWUPHJSA-N -1 1 382.350 1.081 20 0 GDADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1)C(F)(F)F ZINC001573739931 948625628 /nfs/dbraw/zinc/62/56/28/948625628.db2.gz ITYJLYIXRFJXMY-KYXWUPHJSA-N -1 1 382.350 1.081 20 0 GDADMM C[C@@H](NC(=O)[C@@H](C)C1CCC1)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573740490 948635919 /nfs/dbraw/zinc/63/59/19/948635919.db2.gz PXPZRBFURNHZFU-QWHCGFSZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](NC(=O)[C@@H](C)C1CCC1)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573740490 948635921 /nfs/dbraw/zinc/63/59/21/948635921.db2.gz PXPZRBFURNHZFU-QWHCGFSZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H](C)c1c(F)cccc1F ZINC001573741503 948654510 /nfs/dbraw/zinc/65/45/10/948654510.db2.gz BNWOUHKXLBWIJU-ZJUUUORDSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H](C)c1c(F)cccc1F ZINC001573741503 948654515 /nfs/dbraw/zinc/65/45/15/948654515.db2.gz BNWOUHKXLBWIJU-ZJUUUORDSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573746472 948682619 /nfs/dbraw/zinc/68/26/19/948682619.db2.gz KCDVYBGVNWJFFV-SRVKXCTJSA-N -1 1 384.469 1.251 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cccc(F)c1 ZINC001573746831 948685978 /nfs/dbraw/zinc/68/59/78/948685978.db2.gz LPWCARUYEPIHQE-HONMWMINSA-N -1 1 382.403 1.659 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cccc(F)c1 ZINC001573746831 948685984 /nfs/dbraw/zinc/68/59/84/948685984.db2.gz LPWCARUYEPIHQE-HONMWMINSA-N -1 1 382.403 1.659 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1F ZINC001573751962 948708422 /nfs/dbraw/zinc/70/84/22/948708422.db2.gz ITEFDCNHARWJPL-IJLUTSLNSA-N -1 1 382.403 1.659 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1F ZINC001573751962 948708429 /nfs/dbraw/zinc/70/84/29/948708429.db2.gz ITEFDCNHARWJPL-IJLUTSLNSA-N -1 1 382.403 1.659 20 0 GDADMM C[C@@H](CNC(=O)CCc1ccccc1F)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574914471 948751107 /nfs/dbraw/zinc/75/11/07/948751107.db2.gz KJIBCPLZPYXNGX-LBPRGKRZSA-N -1 1 384.419 1.370 20 0 GDADMM CC(C)c1ccc(C(=O)NCC2(Nc3cnc(-c4nnn[n-]4)cn3)CC2)nc1 ZINC001574416538 948751725 /nfs/dbraw/zinc/75/17/25/948751725.db2.gz XJDQVKBDDPIWIE-UHFFFAOYSA-N -1 1 379.428 1.550 20 0 GDADMM CC(C)c1ccc(C(=O)NCC2(Nc3cnc(-c4nn[n-]n4)cn3)CC2)nc1 ZINC001574416538 948751735 /nfs/dbraw/zinc/75/17/35/948751735.db2.gz XJDQVKBDDPIWIE-UHFFFAOYSA-N -1 1 379.428 1.550 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CCCC[C@H]2Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001575222207 948754394 /nfs/dbraw/zinc/75/43/94/948754394.db2.gz GNOSNBUHTMUHFG-GHMZBOCLSA-N -1 1 392.414 1.931 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CCCC[C@H]2Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001575222207 948754404 /nfs/dbraw/zinc/75/44/04/948754404.db2.gz GNOSNBUHTMUHFG-GHMZBOCLSA-N -1 1 392.414 1.931 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@]1(C)CCc2ccccc21 ZINC001574678847 948758490 /nfs/dbraw/zinc/75/84/90/948758490.db2.gz KAKCCDMEWJXMEL-RNODOKPDSA-N -1 1 392.467 1.868 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@]1(C)CCc2ccccc21 ZINC001574678847 948758499 /nfs/dbraw/zinc/75/84/99/948758499.db2.gz KAKCCDMEWJXMEL-RNODOKPDSA-N -1 1 392.467 1.868 20 0 GDADMM C[C@H](CNC(=O)CCc1cccc(Cl)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574915653 948768858 /nfs/dbraw/zinc/76/88/58/948768858.db2.gz WJYIQJLXHQQYKQ-LLVKDONJSA-N -1 1 386.847 1.281 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1nc(Cl)cs1 ZINC001574679185 948769160 /nfs/dbraw/zinc/76/91/60/948769160.db2.gz PVNFHXZZUREYPJ-ZETCQYMHSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1nc(Cl)cs1 ZINC001574679185 948769173 /nfs/dbraw/zinc/76/91/73/948769173.db2.gz PVNFHXZZUREYPJ-ZETCQYMHSA-N -1 1 379.837 1.387 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575223918 948775298 /nfs/dbraw/zinc/77/52/98/948775298.db2.gz PIDRMXVHYIWVSP-JTQLQIEISA-N -1 1 378.387 1.177 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccc2c(c1)CCC2 ZINC001574679253 948775225 /nfs/dbraw/zinc/77/52/25/948775225.db2.gz REFYZTDZCOACPS-LBPRGKRZSA-N -1 1 378.440 1.766 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccc2c(c1)CCC2 ZINC001574679253 948775247 /nfs/dbraw/zinc/77/52/47/948775247.db2.gz REFYZTDZCOACPS-LBPRGKRZSA-N -1 1 378.440 1.766 20 0 GDADMM C[C@H](c1ccccc1)n1cc(NC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)cn1 ZINC001573755673 948777849 /nfs/dbraw/zinc/77/78/49/948777849.db2.gz SDIMYDRIGCHXDO-NEPJUHHUSA-N -1 1 378.400 1.464 20 0 GDADMM CC(F)(F)CC(=O)N1CCCCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575224220 948778205 /nfs/dbraw/zinc/77/82/05/948778205.db2.gz KGVFIVNTMBDKSD-LLVKDONJSA-N -1 1 380.403 1.885 20 0 GDADMM CC(F)(F)CC(=O)N1CCCCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575224220 948778209 /nfs/dbraw/zinc/77/82/09/948778209.db2.gz KGVFIVNTMBDKSD-LLVKDONJSA-N -1 1 380.403 1.885 20 0 GDADMM CC(C)[C@@H](F)C(=O)NCCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574080125 948783051 /nfs/dbraw/zinc/78/30/51/948783051.db2.gz HQUPZSDOTVWZAD-OAHLLOKOSA-N -1 1 376.440 1.374 20 0 GDADMM CC(C)[C@@H](F)C(=O)NCCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574080125 948783057 /nfs/dbraw/zinc/78/30/57/948783057.db2.gz HQUPZSDOTVWZAD-OAHLLOKOSA-N -1 1 376.440 1.374 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CCC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001575224347 948783676 /nfs/dbraw/zinc/78/36/76/948783676.db2.gz UUXUGXQTWXAQLS-MNOVXSKESA-N -1 1 392.414 1.931 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CCC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001575224347 948783688 /nfs/dbraw/zinc/78/36/88/948783688.db2.gz UUXUGXQTWXAQLS-MNOVXSKESA-N -1 1 392.414 1.931 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1scnc1Cl ZINC001574679593 948789295 /nfs/dbraw/zinc/78/92/95/948789295.db2.gz YKYJCONAYCWPRA-ZETCQYMHSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1scnc1Cl ZINC001574679593 948789314 /nfs/dbraw/zinc/78/93/14/948789314.db2.gz YKYJCONAYCWPRA-ZETCQYMHSA-N -1 1 379.837 1.387 20 0 GDADMM CC(C)[C@@H](F)C(=O)NCCC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001574080794 948803748 /nfs/dbraw/zinc/80/37/48/948803748.db2.gz NNPWUAIOGIBPHF-CYBMUJFWSA-N -1 1 376.440 1.374 20 0 GDADMM CC(C)[C@@H](F)C(=O)NCCC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001574080794 948803761 /nfs/dbraw/zinc/80/37/61/948803761.db2.gz NNPWUAIOGIBPHF-CYBMUJFWSA-N -1 1 376.440 1.374 20 0 GDADMM CC(C)c1ccoc1C(=O)N1CC[C@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574421409 948817392 /nfs/dbraw/zinc/81/73/92/948817392.db2.gz KDEUWMYHMADHKD-LBPRGKRZSA-N -1 1 382.428 1.724 20 0 GDADMM CC(C)c1ccoc1C(=O)N1CC[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574421409 948817411 /nfs/dbraw/zinc/81/74/11/948817411.db2.gz KDEUWMYHMADHKD-LBPRGKRZSA-N -1 1 382.428 1.724 20 0 GDADMM CC(F)(F)CC(=O)N1CCC2(C1)CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001575226935 948822362 /nfs/dbraw/zinc/82/23/62/948822362.db2.gz POIXJHZACUPQPU-UHFFFAOYSA-N -1 1 392.414 1.521 20 0 GDADMM CC(F)(F)CC(=O)N1CCC2(C1)CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001575226935 948822374 /nfs/dbraw/zinc/82/23/74/948822374.db2.gz POIXJHZACUPQPU-UHFFFAOYSA-N -1 1 392.414 1.521 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2C[C@H](CNc3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001575226616 948822518 /nfs/dbraw/zinc/82/25/18/948822518.db2.gz OERYIXPODFDJTR-MGCOHNPYSA-N -1 1 378.387 1.399 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2C[C@H](CNc3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001575226616 948822539 /nfs/dbraw/zinc/82/25/39/948822539.db2.gz OERYIXPODFDJTR-MGCOHNPYSA-N -1 1 378.387 1.399 20 0 GDADMM CC(C)c1ccoc1C(=O)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001574421743 948823607 /nfs/dbraw/zinc/82/36/07/948823607.db2.gz NLQMVMFRRIRSDB-LBPRGKRZSA-N -1 1 382.428 1.947 20 0 GDADMM CC(C)c1ccoc1C(=O)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001574421743 948823619 /nfs/dbraw/zinc/82/36/19/948823619.db2.gz NLQMVMFRRIRSDB-LBPRGKRZSA-N -1 1 382.428 1.947 20 0 GDADMM C[C@@H](C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1)[C@H](C)C(C)(C)C ZINC001573757235 948832764 /nfs/dbraw/zinc/83/27/64/948832764.db2.gz YYCPBCGIQNSXGA-MNOVXSKESA-N -1 1 376.465 1.683 20 0 GDADMM C[C@@H](C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1)[C@H](C)C(C)(C)C ZINC001573757235 948832775 /nfs/dbraw/zinc/83/27/75/948832775.db2.gz YYCPBCGIQNSXGA-MNOVXSKESA-N -1 1 376.465 1.683 20 0 GDADMM CC(F)(F)CC(=O)NC[C@@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001575229059 948832997 /nfs/dbraw/zinc/83/29/97/948832997.db2.gz AJHICVCITYMYRK-SNVBAGLBSA-N -1 1 386.428 1.291 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccc(C(F)F)nc1 ZINC001574682891 948836409 /nfs/dbraw/zinc/83/64/09/948836409.db2.gz SLVYABOEVOKVKV-VIFPVBQESA-N -1 1 389.370 1.610 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccc(C(F)F)nc1 ZINC001574682891 948836421 /nfs/dbraw/zinc/83/64/21/948836421.db2.gz SLVYABOEVOKVKV-VIFPVBQESA-N -1 1 389.370 1.610 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccnc(C2CC2)c1 ZINC001574683087 948837390 /nfs/dbraw/zinc/83/73/90/948837390.db2.gz UHLJAPAZXMIIRZ-NSHDSACASA-N -1 1 379.428 1.550 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccnc(C2CC2)c1 ZINC001574683087 948837408 /nfs/dbraw/zinc/83/74/08/948837408.db2.gz UHLJAPAZXMIIRZ-NSHDSACASA-N -1 1 379.428 1.550 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccnc(C2CC2)c1 ZINC001574683086 948837875 /nfs/dbraw/zinc/83/78/75/948837875.db2.gz UHLJAPAZXMIIRZ-LLVKDONJSA-N -1 1 379.428 1.550 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccnc(C2CC2)c1 ZINC001574683086 948837893 /nfs/dbraw/zinc/83/78/93/948837893.db2.gz UHLJAPAZXMIIRZ-LLVKDONJSA-N -1 1 379.428 1.550 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1)C1CCC1 ZINC001573761118 948838180 /nfs/dbraw/zinc/83/81/80/948838180.db2.gz CIHCTYZBNNTWGG-OKILXGFUSA-N -1 1 382.472 1.663 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1)C1CCC1 ZINC001573761118 948838188 /nfs/dbraw/zinc/83/81/88/948838188.db2.gz CIHCTYZBNNTWGG-OKILXGFUSA-N -1 1 382.472 1.663 20 0 GDADMM CC(C)c1nc(C(=O)N[C@@H](C)[C@@H](C)Nc2nccnc2-c2nnn[n-]2)cs1 ZINC001574424157 948843847 /nfs/dbraw/zinc/84/38/47/948843847.db2.gz GTEJQQLRCVGABD-ZJUUUORDSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1nc(C(=O)N[C@@H](C)[C@@H](C)Nc2nccnc2-c2nn[n-]n2)cs1 ZINC001574424157 948843864 /nfs/dbraw/zinc/84/38/64/948843864.db2.gz GTEJQQLRCVGABD-ZJUUUORDSA-N -1 1 387.473 1.856 20 0 GDADMM CC(F)(F)CC(=O)NCc1ccc(CNc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001575229489 948848182 /nfs/dbraw/zinc/84/81/82/948848182.db2.gz JXFYWUNSHHWMMR-UHFFFAOYSA-N -1 1 388.382 1.930 20 0 GDADMM CC(F)(F)CC(=O)NCc1ccc(CNc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001575229489 948848200 /nfs/dbraw/zinc/84/82/00/948848200.db2.gz JXFYWUNSHHWMMR-UHFFFAOYSA-N -1 1 388.382 1.930 20 0 GDADMM CC(C)c1ccsc1C(=O)NC[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574424495 948851988 /nfs/dbraw/zinc/85/19/88/948851988.db2.gz NOKKWFPCRQEALN-JTQLQIEISA-N -1 1 388.457 1.044 20 0 GDADMM CC(C)c1ccsc1C(=O)NC[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574424495 948852006 /nfs/dbraw/zinc/85/20/06/948852006.db2.gz NOKKWFPCRQEALN-JTQLQIEISA-N -1 1 388.457 1.044 20 0 GDADMM C[C@@H](CNC(=O)CCCc1ccc(F)cc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574919420 948877425 /nfs/dbraw/zinc/87/74/25/948877425.db2.gz YZJUXJXPBOERCS-LBPRGKRZSA-N -1 1 384.419 1.735 20 0 GDADMM C[C@@H](CNC(=O)CCCc1ccc(F)cc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574919420 948877439 /nfs/dbraw/zinc/87/74/39/948877439.db2.gz YZJUXJXPBOERCS-LBPRGKRZSA-N -1 1 384.419 1.735 20 0 GDADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)c1cncnc1 ZINC001574684851 948892357 /nfs/dbraw/zinc/89/23/57/948892357.db2.gz NPRGBAASZSETAH-ZETCQYMHSA-N -1 1 379.837 1.387 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@]12CCC[C@@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001575234315 948898025 /nfs/dbraw/zinc/89/80/25/948898025.db2.gz AWTSWPPVVKLXKI-YVEFUNNKSA-N -1 1 392.414 1.710 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@]12CCC[C@@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001575234315 948898040 /nfs/dbraw/zinc/89/80/40/948898040.db2.gz AWTSWPPVVKLXKI-YVEFUNNKSA-N -1 1 392.414 1.710 20 0 GDADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)c1cccn1C ZINC001574685006 948899291 /nfs/dbraw/zinc/89/92/91/948899291.db2.gz QVEMDQPJNMESEJ-MRVPVSSYSA-N -1 1 380.865 1.936 20 0 GDADMM CC(C)(C(=O)N1CC[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1)C(F)F ZINC001573765245 948901180 /nfs/dbraw/zinc/90/11/80/948901180.db2.gz XLJWKCCAUUOITP-QGZVFWFLSA-N -1 1 392.414 1.377 20 0 GDADMM CC(C)(C(=O)N1CC[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1)C(F)F ZINC001573765245 948901192 /nfs/dbraw/zinc/90/11/92/948901192.db2.gz XLJWKCCAUUOITP-QGZVFWFLSA-N -1 1 392.414 1.377 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)C1CCOCC1 ZINC001574685190 948903623 /nfs/dbraw/zinc/90/36/23/948903623.db2.gz SFJDYYJNQBZHGB-MRVPVSSYSA-N -1 1 385.881 1.710 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)C1CCOCC1 ZINC001574685190 948903638 /nfs/dbraw/zinc/90/36/38/948903638.db2.gz SFJDYYJNQBZHGB-MRVPVSSYSA-N -1 1 385.881 1.710 20 0 GDADMM CC(C)(C(=O)N1CCC[C@H]2[C@@H]1CCN2c1cncc(-c2nnn[n-]2)n1)C(F)F ZINC001573765335 948905165 /nfs/dbraw/zinc/90/51/65/948905165.db2.gz YTWANZYUIPJBLN-RYUDHWBXSA-N -1 1 392.414 1.518 20 0 GDADMM CC(C)(C(=O)N1CCC[C@H]2[C@@H]1CCN2c1cncc(-c2nn[n-]n2)n1)C(F)F ZINC001573765335 948905177 /nfs/dbraw/zinc/90/51/77/948905177.db2.gz YTWANZYUIPJBLN-RYUDHWBXSA-N -1 1 392.414 1.518 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)Cc1cnoc1 ZINC001574685429 948907178 /nfs/dbraw/zinc/90/71/78/948907178.db2.gz VXQIHLLWYKXQSP-ZETCQYMHSA-N -1 1 382.837 1.514 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)Cc1cnoc1 ZINC001574685429 948907189 /nfs/dbraw/zinc/90/71/89/948907189.db2.gz VXQIHLLWYKXQSP-ZETCQYMHSA-N -1 1 382.837 1.514 20 0 GDADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@@H]1CCCCO1 ZINC001574685668 948913545 /nfs/dbraw/zinc/91/35/45/948913545.db2.gz YTPNCXUZFIRCBI-IUCAKERBSA-N -1 1 385.881 1.852 20 0 GDADMM CC(C)(C(=O)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)c1ccccc1 ZINC001573765555 948917992 /nfs/dbraw/zinc/91/79/92/948917992.db2.gz NPNXKTTZZMSOPZ-UHFFFAOYSA-N -1 1 392.467 1.673 20 0 GDADMM CC(C)(C(=O)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)c1ccccc1 ZINC001573765555 948918002 /nfs/dbraw/zinc/91/80/02/948918002.db2.gz NPNXKTTZZMSOPZ-UHFFFAOYSA-N -1 1 392.467 1.673 20 0 GDADMM CC(C)(C(=O)N[C@H]1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C(F)F ZINC001573771053 948933672 /nfs/dbraw/zinc/93/36/72/948933672.db2.gz AJKCDXSVCWFSJZ-ZJUUUORDSA-N -1 1 380.403 1.067 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1)C(F)F ZINC001573771227 948935899 /nfs/dbraw/zinc/93/58/99/948935899.db2.gz DDUZJMMMGHIXNC-UWVGGRQHSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1)C(F)F ZINC001573771227 948935919 /nfs/dbraw/zinc/93/59/19/948935919.db2.gz DDUZJMMMGHIXNC-UWVGGRQHSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C12CCC2)C(F)F ZINC001573771454 948941225 /nfs/dbraw/zinc/94/12/25/948941225.db2.gz HVEVXWXOTWPCQW-MNOVXSKESA-N -1 1 392.414 1.787 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C12CCC2)C(F)F ZINC001573771454 948941235 /nfs/dbraw/zinc/94/12/35/948941235.db2.gz HVEVXWXOTWPCQW-MNOVXSKESA-N -1 1 392.414 1.787 20 0 GDADMM CC(C)c1ncncc1C(=O)N[C@@H](C)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574432914 948941305 /nfs/dbraw/zinc/94/13/05/948941305.db2.gz PDEVBUBXKXKMFD-QWRGUYRKSA-N -1 1 382.432 1.189 20 0 GDADMM CC(C)c1ncncc1C(=O)N[C@@H](C)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574432914 948941317 /nfs/dbraw/zinc/94/13/17/948941317.db2.gz PDEVBUBXKXKMFD-QWRGUYRKSA-N -1 1 382.432 1.189 20 0 GDADMM CC(C)(C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nnn[n-]3)cn1)C2)C1CC1 ZINC001573771639 948943667 /nfs/dbraw/zinc/94/36/67/948943667.db2.gz JTGGXPHFLXRCGK-YUTCNCBUSA-N -1 1 382.472 1.566 20 0 GDADMM CC(C)(C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nn[n-]n3)cn1)C2)C1CC1 ZINC001573771639 948943674 /nfs/dbraw/zinc/94/36/74/948943674.db2.gz JTGGXPHFLXRCGK-YUTCNCBUSA-N -1 1 382.472 1.566 20 0 GDADMM CC(F)(F)CCC(=O)NC1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575237920 948952497 /nfs/dbraw/zinc/95/24/97/948952497.db2.gz JABTVMDCPVDMQS-UHFFFAOYSA-N -1 1 380.403 1.353 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001575238452 948954422 /nfs/dbraw/zinc/95/44/22/948954422.db2.gz NQCAETCTZGNLJE-LLVKDONJSA-N -1 1 392.414 1.567 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001575238452 948954429 /nfs/dbraw/zinc/95/44/29/948954429.db2.gz NQCAETCTZGNLJE-LLVKDONJSA-N -1 1 392.414 1.567 20 0 GDADMM CC(C)[C@H]1C[C@@H](CC(=O)N(C)CCNc2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001574089620 948962776 /nfs/dbraw/zinc/96/27/76/948962776.db2.gz GBDIUWBZHHNZCD-DZGCQCFKSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)[C@H]1C[C@@H](CC(=O)N(C)CCNc2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001574089620 948962785 /nfs/dbraw/zinc/96/27/85/948962785.db2.gz GBDIUWBZHHNZCD-DZGCQCFKSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)C(F)F ZINC001573772600 948963651 /nfs/dbraw/zinc/96/36/51/948963651.db2.gz VWEXTHCYUBBXIJ-ZJUUUORDSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)C(F)F ZINC001573772600 948963664 /nfs/dbraw/zinc/96/36/64/948963664.db2.gz VWEXTHCYUBBXIJ-ZJUUUORDSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1)C(F)F ZINC001573772598 948964299 /nfs/dbraw/zinc/96/42/99/948964299.db2.gz VWEXTHCYUBBXIJ-UWVGGRQHSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1)C(F)F ZINC001573772598 948964310 /nfs/dbraw/zinc/96/43/10/948964310.db2.gz VWEXTHCYUBBXIJ-UWVGGRQHSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C(=O)NC[C@H](O)CNc1nc(-c2nn[n-]n2)c(Cl)s1)C1CC1 ZINC001573773736 948992170 /nfs/dbraw/zinc/99/21/70/948992170.db2.gz GEQWPIUWJNBODO-QMMMGPOBSA-N -1 1 385.881 1.302 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccccc1 ZINC001573774549 949010627 /nfs/dbraw/zinc/01/06/27/949010627.db2.gz VBCVYWHICXYLKM-AWEZNQCLSA-N -1 1 378.440 1.329 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccccc1 ZINC001573774549 949010642 /nfs/dbraw/zinc/01/06/42/949010642.db2.gz VBCVYWHICXYLKM-AWEZNQCLSA-N -1 1 378.440 1.329 20 0 GDADMM CC(C)c1nnsc1C(=O)N[C@H](C)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574439864 949017409 /nfs/dbraw/zinc/01/74/09/949017409.db2.gz KPMVQRUUJCPJGD-RKDXNWHRSA-N -1 1 388.461 1.251 20 0 GDADMM CC(C)c1nnsc1C(=O)N[C@H](C)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574439864 949017431 /nfs/dbraw/zinc/01/74/31/949017431.db2.gz KPMVQRUUJCPJGD-RKDXNWHRSA-N -1 1 388.461 1.251 20 0 GDADMM CC(C)(C(=O)NC[C@H](CO)Nc1nc(Cl)c(-c2nnn[n-]2)s1)C1CC1 ZINC001573774988 949027000 /nfs/dbraw/zinc/02/70/00/949027000.db2.gz RASZZRCCYFCGMY-MRVPVSSYSA-N -1 1 385.881 1.302 20 0 GDADMM CC(C)(C(=O)NC[C@H](CO)Nc1nc(Cl)c(-c2nn[n-]n2)s1)C1CC1 ZINC001573774988 949027024 /nfs/dbraw/zinc/02/70/24/949027024.db2.gz RASZZRCCYFCGMY-MRVPVSSYSA-N -1 1 385.881 1.302 20 0 GDADMM C[C@@H](Oc1ccccn1)C(=O)Nc1ccccc1-n1cnc(-c2nn[n-]n2)n1 ZINC001575503037 949035745 /nfs/dbraw/zinc/03/57/45/949035745.db2.gz NGAHTFLBMSEUTC-LLVKDONJSA-N -1 1 377.368 1.248 20 0 GDADMM C[C@H](CN(C)C(=O)C(C)(C)[C@H]1CCCCO1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574692719 949036591 /nfs/dbraw/zinc/03/65/91/949036591.db2.gz AXVAPPFFTBFNNF-TZMCWYRMSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CN(C)C(=O)C(C)(C)[C@H]1CCCCO1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574692719 949036613 /nfs/dbraw/zinc/03/66/13/949036613.db2.gz AXVAPPFFTBFNNF-TZMCWYRMSA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)(C(=O)NCC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)C(F)F ZINC001573781438 949103531 /nfs/dbraw/zinc/10/35/31/949103531.db2.gz GXQYZRZNHIVKMT-SNVBAGLBSA-N -1 1 380.403 1.281 20 0 GDADMM CC(C)(C(=O)NCC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)C(F)F ZINC001573781438 949103542 /nfs/dbraw/zinc/10/35/42/949103542.db2.gz GXQYZRZNHIVKMT-SNVBAGLBSA-N -1 1 380.403 1.281 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)CC(F)(F)F)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575250088 949111523 /nfs/dbraw/zinc/11/15/23/949111523.db2.gz DCPMUPJPDQTYIH-RKDXNWHRSA-N -1 1 386.382 1.940 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)CC(F)(F)F)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575250088 949111540 /nfs/dbraw/zinc/11/15/40/949111540.db2.gz DCPMUPJPDQTYIH-RKDXNWHRSA-N -1 1 386.382 1.940 20 0 GDADMM CC(C)c1occc1C(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001574446438 949133988 /nfs/dbraw/zinc/13/39/88/949133988.db2.gz PZXFRCCZNWVRDQ-CYBMUJFWSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1occc1C(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001574446438 949134003 /nfs/dbraw/zinc/13/40/03/949134003.db2.gz PZXFRCCZNWVRDQ-CYBMUJFWSA-N -1 1 382.428 1.994 20 0 GDADMM C[C@@H](NC(=O)C1(c2ccccn2)CC1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575251380 949138457 /nfs/dbraw/zinc/13/84/57/949138457.db2.gz BFKVVRLXRKOZGO-NWDGAFQWSA-N -1 1 379.428 1.089 20 0 GDADMM C[C@@H](NC(=O)C1(c2ccccn2)CC1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575251380 949138444 /nfs/dbraw/zinc/13/84/44/949138444.db2.gz BFKVVRLXRKOZGO-NWDGAFQWSA-N -1 1 379.428 1.089 20 0 GDADMM CC(C)c1ocnc1C(=O)N1C[C@@H](C)[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574446801 949138942 /nfs/dbraw/zinc/13/89/42/949138942.db2.gz WTTCEXSRLSKZAY-MNOVXSKESA-N -1 1 383.416 1.341 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cc2c(o1)CCCC2 ZINC001574696656 949138908 /nfs/dbraw/zinc/13/89/08/949138908.db2.gz TYSMTEQNQKXHOV-LLVKDONJSA-N -1 1 382.428 1.749 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cc2c(o1)CCCC2 ZINC001574696656 949138921 /nfs/dbraw/zinc/13/89/21/949138921.db2.gz TYSMTEQNQKXHOV-LLVKDONJSA-N -1 1 382.428 1.749 20 0 GDADMM CC(C)c1ocnc1C(=O)N1C[C@@H](C)[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574446801 949138955 /nfs/dbraw/zinc/13/89/55/949138955.db2.gz WTTCEXSRLSKZAY-MNOVXSKESA-N -1 1 383.416 1.341 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001574696654 949139160 /nfs/dbraw/zinc/13/91/60/949139160.db2.gz TXVHIEMUCLEQNZ-JTQLQIEISA-N -1 1 384.448 1.298 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001574696654 949139171 /nfs/dbraw/zinc/13/91/71/949139171.db2.gz TXVHIEMUCLEQNZ-JTQLQIEISA-N -1 1 384.448 1.298 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)CCCc1ccccn1 ZINC001574696805 949142719 /nfs/dbraw/zinc/14/27/19/949142719.db2.gz UQZCCQYHMGLHLX-ZDUSSCGKSA-N -1 1 381.444 1.381 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)CCCc1ccccn1 ZINC001574696805 949142734 /nfs/dbraw/zinc/14/27/34/949142734.db2.gz UQZCCQYHMGLHLX-ZDUSSCGKSA-N -1 1 381.444 1.381 20 0 GDADMM CC(C)c1ocnc1C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC001574447646 949167321 /nfs/dbraw/zinc/16/73/21/949167321.db2.gz VWTWJMAJRYCZHU-MNOVXSKESA-N -1 1 383.416 1.165 20 0 GDADMM CC(C)c1ocnc1C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C ZINC001574447646 949167333 /nfs/dbraw/zinc/16/73/33/949167333.db2.gz VWTWJMAJRYCZHU-MNOVXSKESA-N -1 1 383.416 1.165 20 0 GDADMM CC(C)c1oncc1C(=O)N(C)CCCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574448173 949177137 /nfs/dbraw/zinc/17/71/37/949177137.db2.gz DWDAOUBEDOLKEC-UHFFFAOYSA-N -1 1 385.432 1.367 20 0 GDADMM CC(C)c1oncc1C(=O)N(C)CCCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574448173 949177138 /nfs/dbraw/zinc/17/71/38/949177138.db2.gz DWDAOUBEDOLKEC-UHFFFAOYSA-N -1 1 385.432 1.367 20 0 GDADMM C[C@@H](CNC(=O)Cc1c(F)cccc1F)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574935588 949201326 /nfs/dbraw/zinc/20/13/26/949201326.db2.gz CRARFMVOXMJEGX-JTQLQIEISA-N -1 1 388.382 1.119 20 0 GDADMM C[C@@H](CNC(=O)Cc1c(F)cccc1F)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574935588 949201345 /nfs/dbraw/zinc/20/13/45/949201345.db2.gz CRARFMVOXMJEGX-JTQLQIEISA-N -1 1 388.382 1.119 20 0 GDADMM CC(C)c1oncc1C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574449895 949208139 /nfs/dbraw/zinc/20/81/39/949208139.db2.gz UVLGIRGXJNCOPU-ZWNOBZJWSA-N -1 1 383.416 1.341 20 0 GDADMM CC(C)c1oncc1C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574449895 949208165 /nfs/dbraw/zinc/20/81/65/949208165.db2.gz UVLGIRGXJNCOPU-ZWNOBZJWSA-N -1 1 383.416 1.341 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(F)c(F)c1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574936169 949210168 /nfs/dbraw/zinc/21/01/68/949210168.db2.gz HVIMFTVPRCCOSK-JTQLQIEISA-N -1 1 388.382 1.119 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(F)c(F)c1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574936169 949210194 /nfs/dbraw/zinc/21/01/94/949210194.db2.gz HVIMFTVPRCCOSK-JTQLQIEISA-N -1 1 388.382 1.119 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(F)c(F)c1)CNc1nccnc1-c1nnn[n-]1 ZINC001574937280 949223742 /nfs/dbraw/zinc/22/37/42/949223742.db2.gz NSMPFKOUZGRBEW-JTQLQIEISA-N -1 1 388.382 1.342 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(F)c(F)c1)CNc1nccnc1-c1nn[n-]n1 ZINC001574937280 949223768 /nfs/dbraw/zinc/22/37/68/949223768.db2.gz NSMPFKOUZGRBEW-JTQLQIEISA-N -1 1 388.382 1.342 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001574451245 949223898 /nfs/dbraw/zinc/22/38/98/949223898.db2.gz ICEJHFFCEUXVGU-LBPRGKRZSA-N -1 1 385.432 1.635 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001574451245 949223917 /nfs/dbraw/zinc/22/39/17/949223917.db2.gz ICEJHFFCEUXVGU-LBPRGKRZSA-N -1 1 385.432 1.635 20 0 GDADMM C[C@H](c1ccccc1F)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1=O ZINC001575517340 949227266 /nfs/dbraw/zinc/22/72/66/949227266.db2.gz VDLXJHHQYXEYTQ-RISCZKNCSA-N -1 1 382.403 1.382 20 0 GDADMM CC(C)CC(=O)N1CCC(N(CC2CC2)c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574103167 949227925 /nfs/dbraw/zinc/22/79/25/949227925.db2.gz MAFHWDOPPLSERJ-UHFFFAOYSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CC(=O)N1CCC(N(CC2CC2)c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574103167 949227942 /nfs/dbraw/zinc/22/79/42/949227942.db2.gz MAFHWDOPPLSERJ-UHFFFAOYSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574103278 949235884 /nfs/dbraw/zinc/23/58/84/949235884.db2.gz PJBDGZSEGKWJSD-AJNGGQMLSA-N -1 1 382.472 1.376 20 0 GDADMM CC(C)(C)C(=O)N1CCC([C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001573792153 949239505 /nfs/dbraw/zinc/23/95/05/949239505.db2.gz LXLGQLIXXNTZOU-CQSZACIVSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(F)cc1Cl)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574938417 949242825 /nfs/dbraw/zinc/24/28/25/949242825.db2.gz VLLWIIIXMORWKX-SECBINFHSA-N -1 1 390.810 1.609 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(F)cc1Cl)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574938417 949242847 /nfs/dbraw/zinc/24/28/47/949242847.db2.gz VLLWIIIXMORWKX-SECBINFHSA-N -1 1 390.810 1.609 20 0 GDADMM C[C@H](CNC(=O)Cc1c(F)cccc1F)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574938666 949246893 /nfs/dbraw/zinc/24/68/93/949246893.db2.gz YPIHMYCGTRIEKC-SNVBAGLBSA-N -1 1 388.382 1.119 20 0 GDADMM C[C@H](CNC(=O)Cc1c(F)cccc1F)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574938666 949246916 /nfs/dbraw/zinc/24/69/16/949246916.db2.gz YPIHMYCGTRIEKC-SNVBAGLBSA-N -1 1 388.382 1.119 20 0 GDADMM CC(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(c2nccnc2-c2nnn[n-]2)C1 ZINC001573792358 949247616 /nfs/dbraw/zinc/24/76/16/949247616.db2.gz OTLVZRTYNDZYIF-XUXIUFHCSA-N -1 1 382.472 1.376 20 0 GDADMM CC(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(c2nccnc2-c2nn[n-]n2)C1 ZINC001573792358 949247642 /nfs/dbraw/zinc/24/76/42/949247642.db2.gz OTLVZRTYNDZYIF-XUXIUFHCSA-N -1 1 382.472 1.376 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@]1(C)CCc2ccccc21)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574703103 949306756 /nfs/dbraw/zinc/30/67/56/949306756.db2.gz QUYBLYNOMGYFLY-RBZFPXEDSA-N -1 1 392.467 1.820 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@]1(C)CCc2ccccc21)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574703103 949306782 /nfs/dbraw/zinc/30/67/82/949306782.db2.gz QUYBLYNOMGYFLY-RBZFPXEDSA-N -1 1 392.467 1.820 20 0 GDADMM C[C@@H](NC(=O)C1CC2(CC2)C1)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575258766 949313453 /nfs/dbraw/zinc/31/34/53/949313453.db2.gz KIGYVWMPRRSXLR-OLZOCXBDSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](NC(=O)C1CC2(CC2)C1)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575258766 949313472 /nfs/dbraw/zinc/31/34/72/949313472.db2.gz KIGYVWMPRRSXLR-OLZOCXBDSA-N -1 1 382.472 1.568 20 0 GDADMM CC(C)(C)C(=O)N1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001573794643 949316452 /nfs/dbraw/zinc/31/64/52/949316452.db2.gz GXTQVCWEBONIHO-UHFFFAOYSA-N -1 1 377.474 1.328 20 0 GDADMM CC1=C(C)C[C@@](C)(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575861190 949318543 /nfs/dbraw/zinc/31/85/43/949318543.db2.gz PCXSENSHCCSMFA-LIRRHRJNSA-N -1 1 382.472 1.878 20 0 GDADMM CC(C)(C)C(=O)N[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C[C@@H]1O ZINC001573799338 949368342 /nfs/dbraw/zinc/36/83/42/949368342.db2.gz LKLYXLPGAAMAER-YUMQZZPRSA-N -1 1 385.881 1.079 20 0 GDADMM CC(C)(C)C(=O)N[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C[C@@H]1O ZINC001573799338 949368365 /nfs/dbraw/zinc/36/83/65/949368365.db2.gz LKLYXLPGAAMAER-YUMQZZPRSA-N -1 1 385.881 1.079 20 0 GDADMM C[C@@H]1CCC[C@]1(C)C(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001576155267 949390516 /nfs/dbraw/zinc/39/05/16/949390516.db2.gz UJTGXAJKHGTURT-PXWIGAEESA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H]1CCC[C@]1(C)C(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001576155267 949390532 /nfs/dbraw/zinc/39/05/32/949390532.db2.gz UJTGXAJKHGTURT-PXWIGAEESA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C(C)(C)C(F)F)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575866113 949394954 /nfs/dbraw/zinc/39/49/54/949394954.db2.gz CYZJCFSLLBFYDM-UWVGGRQHSA-N -1 1 380.403 1.422 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C(C)(C)C(F)F)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575866113 949394975 /nfs/dbraw/zinc/39/49/75/949394975.db2.gz CYZJCFSLLBFYDM-UWVGGRQHSA-N -1 1 380.403 1.422 20 0 GDADMM C[C@H]1CCC[C@]1(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001576155273 949396485 /nfs/dbraw/zinc/39/64/85/949396485.db2.gz ULEIXKSTTCKETG-PJHJGJPPSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H]1CCC[C@]1(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001576155273 949396507 /nfs/dbraw/zinc/39/65/07/949396507.db2.gz ULEIXKSTTCKETG-PJHJGJPPSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H](NC(=O)CC(F)(F)F)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575263692 949403755 /nfs/dbraw/zinc/40/37/55/949403755.db2.gz IUAMYLGONBQBNM-ZJUUUORDSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](NC(=O)CC(F)(F)F)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575263692 949403769 /nfs/dbraw/zinc/40/37/69/949403769.db2.gz IUAMYLGONBQBNM-ZJUUUORDSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](NC(=O)CC(C)(F)F)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575263787 949406348 /nfs/dbraw/zinc/40/63/48/949406348.db2.gz JMTQBLWZLFFUHU-QWRGUYRKSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H](NC(=O)CC(C)(F)F)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575263787 949406362 /nfs/dbraw/zinc/40/63/62/949406362.db2.gz JMTQBLWZLFFUHU-QWRGUYRKSA-N -1 1 380.403 1.423 20 0 GDADMM CC(C)n1cccc1C(=O)NCC1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574464512 949410453 /nfs/dbraw/zinc/41/04/53/949410453.db2.gz JZPKFXOFCHNXOV-UHFFFAOYSA-N -1 1 381.444 1.660 20 0 GDADMM CC(C)n1cccc1C(=O)NCC1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574464512 949410469 /nfs/dbraw/zinc/41/04/69/949410469.db2.gz JZPKFXOFCHNXOV-UHFFFAOYSA-N -1 1 381.444 1.660 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H](C)NC(=O)CC(F)(F)C(F)F ZINC001575263836 949411183 /nfs/dbraw/zinc/41/11/83/949411183.db2.gz KBQSRMXZZGPOGD-NKWVEPMBSA-N -1 1 376.318 1.252 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H](C)NC(=O)CC(F)(F)C(F)F ZINC001575263836 949411196 /nfs/dbraw/zinc/41/11/96/949411196.db2.gz KBQSRMXZZGPOGD-NKWVEPMBSA-N -1 1 376.318 1.252 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2(C(F)F)CCC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575866905 949423385 /nfs/dbraw/zinc/42/33/85/949423385.db2.gz IOVTWRGLZDPDRZ-MNOVXSKESA-N -1 1 392.414 1.566 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2(C(F)F)CCC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575866905 949423400 /nfs/dbraw/zinc/42/34/00/949423400.db2.gz IOVTWRGLZDPDRZ-MNOVXSKESA-N -1 1 392.414 1.566 20 0 GDADMM CC(C)n1cnc(C(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)s3)CC2)c1 ZINC001574465064 949429705 /nfs/dbraw/zinc/42/97/05/949429705.db2.gz VLALAFMAMUQUHE-UHFFFAOYSA-N -1 1 386.485 1.664 20 0 GDADMM CC1(C(=O)N2CCC([C@@H]3CCN(c4nccnc4-c4nnn[n-]4)C3)CC2)CC1 ZINC001575534800 949432705 /nfs/dbraw/zinc/43/27/05/949432705.db2.gz PUCKLXPBZWKRSF-CQSZACIVSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C(=O)N2CCC([C@@H]3CCN(c4nccnc4-c4nn[n-]n4)C3)CC2)CC1 ZINC001575534800 949432717 /nfs/dbraw/zinc/43/27/17/949432717.db2.gz PUCKLXPBZWKRSF-CQSZACIVSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H]1CCC[C@@H](C(=O)N2C[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]3C2)C1 ZINC001576156293 949439036 /nfs/dbraw/zinc/43/90/36/949439036.db2.gz VRLZLMPRAJGOPT-TUVASFSCSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H]1CCC[C@@H](C(=O)N2C[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]3C2)C1 ZINC001576156293 949439048 /nfs/dbraw/zinc/43/90/48/949439048.db2.gz VRLZLMPRAJGOPT-TUVASFSCSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1CCCCC1(F)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574705825 949439955 /nfs/dbraw/zinc/43/99/55/949439955.db2.gz JPKOZEIGAKSVAX-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1CCCCC1(F)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574705825 949439973 /nfs/dbraw/zinc/43/99/73/949439973.db2.gz JPKOZEIGAKSVAX-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM CC1(C(=O)N2CCC([C@@H]3CCN(c4ccnc(-c5nn[n-]n5)n4)C3)CC2)CC1 ZINC001575535495 949448294 /nfs/dbraw/zinc/44/82/94/949448294.db2.gz XOQWWANFIQYAFD-CQSZACIVSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C(=O)N2CC[C@H](CNc3nccnc3-c3nnn[n-]3)C2)CC(F)(F)C1 ZINC001575535437 949449345 /nfs/dbraw/zinc/44/93/45/949449345.db2.gz XJVCCLVCBYPTIR-SNVBAGLBSA-N -1 1 378.387 1.353 20 0 GDADMM CC1(C(=O)N2CC[C@H](CNc3nccnc3-c3nn[n-]n3)C2)CC(F)(F)C1 ZINC001575535437 949449366 /nfs/dbraw/zinc/44/93/66/949449366.db2.gz XJVCCLVCBYPTIR-SNVBAGLBSA-N -1 1 378.387 1.353 20 0 GDADMM C[C@H](NC(=O)CC(F)(F)F)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575266185 949473420 /nfs/dbraw/zinc/47/34/20/949473420.db2.gz XTQDRWTTXYYPHN-VHSXEESVSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](NC(=O)CC1CCCC1)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575266391 949477241 /nfs/dbraw/zinc/47/72/41/949477241.db2.gz CTABBMDPWVNDLL-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](NC(=O)CC1CCCC1)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575266391 949477256 /nfs/dbraw/zinc/47/72/56/949477256.db2.gz CTABBMDPWVNDLL-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1CCCCO1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574707871 949480795 /nfs/dbraw/zinc/48/07/95/949480795.db2.gz RHVMBRPBXQRSDV-DTWKUNHWSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@@H](NC(=O)C1Cc2ccccc2C1)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575266542 949482135 /nfs/dbraw/zinc/48/21/35/949482135.db2.gz ZCFATYOKMIFLNN-VXGBXAGGSA-N -1 1 378.440 1.377 20 0 GDADMM C[C@@H](NC(=O)C1Cc2ccccc2C1)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575266542 949482148 /nfs/dbraw/zinc/48/21/48/949482148.db2.gz ZCFATYOKMIFLNN-VXGBXAGGSA-N -1 1 378.440 1.377 20 0 GDADMM CC(C)n1nccc1C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001574469842 949485349 /nfs/dbraw/zinc/48/53/49/949485349.db2.gz IEYMWFIGXRNQQX-HAQNSBGRSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1nccc1C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001574469842 949485360 /nfs/dbraw/zinc/48/53/60/949485360.db2.gz IEYMWFIGXRNQQX-HAQNSBGRSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)CC(=O)NC[C@@H]1Cc2ccccc2CN1c1cnc(-c2nnn[n-]2)cn1 ZINC001574118963 949491953 /nfs/dbraw/zinc/49/19/53/949491953.db2.gz HETZXXOCTLWWRA-INIZCTEOSA-N -1 1 392.467 1.750 20 0 GDADMM CC(C)CC(=O)NC[C@@H]1Cc2ccccc2CN1c1cnc(-c2nn[n-]n2)cn1 ZINC001574118963 949491964 /nfs/dbraw/zinc/49/19/64/949491964.db2.gz HETZXXOCTLWWRA-INIZCTEOSA-N -1 1 392.467 1.750 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cocn1 ZINC001576159044 949511452 /nfs/dbraw/zinc/51/14/52/949511452.db2.gz WATOJQFDXVJXHF-DIFFPNOSSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cocn1 ZINC001576159044 949511471 /nfs/dbraw/zinc/51/14/71/949511471.db2.gz WATOJQFDXVJXHF-DIFFPNOSSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@H](CNC(=O)[C@@H](C)Cc1ccccc1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574949828 949515286 /nfs/dbraw/zinc/51/52/86/949515286.db2.gz DWHGLZGUERTISH-KBPBESRZSA-N -1 1 380.456 1.122 20 0 GDADMM CC(C)n1nccc1C(=O)NC[C@@H](Nc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001574470896 949522899 /nfs/dbraw/zinc/52/28/99/949522899.db2.gz XHDFDKUPLDKZOS-GFCCVEGCSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1nccc1C(=O)NC[C@@H](Nc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001574470896 949522918 /nfs/dbraw/zinc/52/29/18/949522918.db2.gz XHDFDKUPLDKZOS-GFCCVEGCSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CC2CC(C)(C)C2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575872021 949530390 /nfs/dbraw/zinc/53/03/90/949530390.db2.gz FGNUFILECLMWPV-TZMCWYRMSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H]1CCCN(C(=O)C2=CCOCC2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576163367 949530776 /nfs/dbraw/zinc/53/07/76/949530776.db2.gz AOXKNVBEWHWHCI-WFASDCNBSA-N -1 1 384.444 1.042 20 0 GDADMM C[C@H]1CCCN(C(=O)C2=CCOCC2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576163367 949530793 /nfs/dbraw/zinc/53/07/93/949530793.db2.gz AOXKNVBEWHWHCI-WFASDCNBSA-N -1 1 384.444 1.042 20 0 GDADMM C[C@@H](NC(=O)CC1(C(F)(F)F)CC1)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575268799 949532591 /nfs/dbraw/zinc/53/25/91/949532591.db2.gz PHTKYVOYROBKMQ-RKDXNWHRSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](NC(=O)CC1(C(F)(F)F)CC1)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575268799 949532611 /nfs/dbraw/zinc/53/26/11/949532611.db2.gz PHTKYVOYROBKMQ-RKDXNWHRSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@H]1CCCN(C(=O)CC(C)(F)F)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576163837 949539449 /nfs/dbraw/zinc/53/94/49/949539449.db2.gz CWGAQFKFSOBJCF-CMPLNLGQSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H]1CCCN(C(=O)CC(C)(F)F)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576163837 949539468 /nfs/dbraw/zinc/53/94/68/949539468.db2.gz CWGAQFKFSOBJCF-CMPLNLGQSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C23CCC(CC2)C3)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575872707 949558540 /nfs/dbraw/zinc/55/85/40/949558540.db2.gz LAYRDGRHIQPOPR-GWMLXNDSSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@@H]1CCCC[C@@H]1OCC(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001576166044 949575007 /nfs/dbraw/zinc/57/50/07/949575007.db2.gz KYSHMNLBXYPQGH-HIFRSBDPSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@@H]1CCCC[C@@H]1OCC(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001576166044 949575021 /nfs/dbraw/zinc/57/50/21/949575021.db2.gz KYSHMNLBXYPQGH-HIFRSBDPSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@H]1CCCN(C(=O)C2=COCCC2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576167084 949601441 /nfs/dbraw/zinc/60/14/41/949601441.db2.gz OONRFZMRUDNJQU-SWLSCSKDSA-N -1 1 384.444 1.390 20 0 GDADMM C[C@H]1CCCN(C(=O)C2=COCCC2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576167084 949601456 /nfs/dbraw/zinc/60/14/56/949601456.db2.gz OONRFZMRUDNJQU-SWLSCSKDSA-N -1 1 384.444 1.390 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2C=CC=CC=C2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575874130 949603576 /nfs/dbraw/zinc/60/35/76/949603576.db2.gz RNGUPBCEBQZJIE-ZFWWWQNUSA-N -1 1 378.440 1.429 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2C=CC=CC=C2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575874130 949603593 /nfs/dbraw/zinc/60/35/93/949603593.db2.gz RNGUPBCEBQZJIE-ZFWWWQNUSA-N -1 1 378.440 1.429 20 0 GDADMM C[C@@H](CC(=O)N(C)CCN(C)c1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001574476542 949607369 /nfs/dbraw/zinc/60/73/69/949607369.db2.gz HUZJQDKIBGXGDB-AWEZNQCLSA-N -1 1 380.456 1.745 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2C(C)(C)C2(C)C)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575874433 949612924 /nfs/dbraw/zinc/61/29/24/949612924.db2.gz SMMWOCOGKUSQJR-VXGBXAGGSA-N -1 1 384.488 1.812 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2C(C)(C)C2(C)C)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575874433 949612936 /nfs/dbraw/zinc/61/29/36/949612936.db2.gz SMMWOCOGKUSQJR-VXGBXAGGSA-N -1 1 384.488 1.812 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001574477055 949633095 /nfs/dbraw/zinc/63/30/95/949633095.db2.gz ODKPNQDIMYNOAP-UONOGXRCSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001574477055 949633106 /nfs/dbraw/zinc/63/31/06/949633106.db2.gz ODKPNQDIMYNOAP-UONOGXRCSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H](NC(=O)CCCC1CCOCC1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575272302 949643291 /nfs/dbraw/zinc/64/32/91/949643291.db2.gz ORKADXWAZAENOJ-QWHCGFSZSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@@H](NC(=O)CCCC1CCOCC1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575272302 949643305 /nfs/dbraw/zinc/64/33/05/949643305.db2.gz ORKADXWAZAENOJ-QWHCGFSZSA-N -1 1 388.476 1.559 20 0 GDADMM CC1(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CCC(F)(F)CC1 ZINC001575547924 949648862 /nfs/dbraw/zinc/64/88/62/949648862.db2.gz KJYZBRBVGAIUKK-LLVKDONJSA-N -1 1 392.414 1.885 20 0 GDADMM CC1(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CCC(F)(F)CC1 ZINC001575547924 949648873 /nfs/dbraw/zinc/64/88/73/949648873.db2.gz KJYZBRBVGAIUKK-LLVKDONJSA-N -1 1 392.414 1.885 20 0 GDADMM CC1(C(=O)N2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)CCC(F)(F)CC1 ZINC001575548003 949653300 /nfs/dbraw/zinc/65/33/00/949653300.db2.gz MBKPJRQLONJLNT-UHFFFAOYSA-N -1 1 392.414 1.521 20 0 GDADMM CC1(C(=O)N2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)CCC(F)(F)CC1 ZINC001575548003 949653312 /nfs/dbraw/zinc/65/33/12/949653312.db2.gz MBKPJRQLONJLNT-UHFFFAOYSA-N -1 1 392.414 1.521 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C1(F)CCCC1 ZINC001573815611 949655230 /nfs/dbraw/zinc/65/52/30/949655230.db2.gz JILPFSCGHCAVQQ-LBPRGKRZSA-N -1 1 376.440 1.882 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C1(F)CCCC1 ZINC001573815611 949655241 /nfs/dbraw/zinc/65/52/41/949655241.db2.gz JILPFSCGHCAVQQ-LBPRGKRZSA-N -1 1 376.440 1.882 20 0 GDADMM C[C@@H](NC(=O)CCCc1ccccc1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575272979 949655594 /nfs/dbraw/zinc/65/55/94/949655594.db2.gz TXXAUCFHZXAJDJ-KGLIPLIRSA-N -1 1 380.456 1.985 20 0 GDADMM C[C@@H](NC(=O)CCCc1ccccc1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575272979 949655607 /nfs/dbraw/zinc/65/56/07/949655607.db2.gz TXXAUCFHZXAJDJ-KGLIPLIRSA-N -1 1 380.456 1.985 20 0 GDADMM C[C@@H]1CCCN(C(=O)COC(C)(C)C)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576169075 949661772 /nfs/dbraw/zinc/66/17/72/949661772.db2.gz DRSVHUHAYORLKQ-TZMCWYRMSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H]1CCCN(C(=O)COC(C)(C)C)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576169075 949661786 /nfs/dbraw/zinc/66/17/86/949661786.db2.gz DRSVHUHAYORLKQ-TZMCWYRMSA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCC1(F)F ZINC001573816156 949669887 /nfs/dbraw/zinc/66/98/87/949669887.db2.gz PEEZQESALNTYTJ-VHSXEESVSA-N -1 1 380.403 1.067 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CCc2ccccc2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575877784 949670936 /nfs/dbraw/zinc/67/09/36/949670936.db2.gz NAPZYCOHNUFVHC-ZBFHGGJFSA-N -1 1 392.467 1.763 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CCc2ccccc2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575877784 949670956 /nfs/dbraw/zinc/67/09/56/949670956.db2.gz NAPZYCOHNUFVHC-ZBFHGGJFSA-N -1 1 392.467 1.763 20 0 GDADMM CC(C)CC(C)(C)C(=O)NC[C@@H]1COCCN1c1nccnc1-c1nnn[n-]1 ZINC001574131809 949671763 /nfs/dbraw/zinc/67/17/63/949671763.db2.gz KXIBFSIFENZUBM-CYBMUJFWSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)CC(C)(C)C(=O)NC[C@@H]1COCCN1c1nccnc1-c1nn[n-]n1 ZINC001574131809 949671781 /nfs/dbraw/zinc/67/17/81/949671781.db2.gz KXIBFSIFENZUBM-CYBMUJFWSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CCn2cccc2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575878154 949672375 /nfs/dbraw/zinc/67/23/75/949672375.db2.gz NODDPOGCJFTDFC-ZIAGYGMSSA-N -1 1 381.444 1.022 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CCn2cccc2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575878154 949672385 /nfs/dbraw/zinc/67/23/85/949672385.db2.gz NODDPOGCJFTDFC-ZIAGYGMSSA-N -1 1 381.444 1.022 20 0 GDADMM C[C@H]1CCCC[C@@H]1CC(=O)N(CCO)CCNc1nccnc1-c1nnn[n-]1 ZINC001576169459 949679886 /nfs/dbraw/zinc/67/98/86/949679886.db2.gz JIODFKNWSNQGLB-UONOGXRCSA-N -1 1 388.476 1.106 20 0 GDADMM C[C@H]1CCCC[C@@H]1CC(=O)N(CCO)CCNc1nccnc1-c1nn[n-]n1 ZINC001576169459 949679898 /nfs/dbraw/zinc/67/98/98/949679898.db2.gz JIODFKNWSNQGLB-UONOGXRCSA-N -1 1 388.476 1.106 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574958795 949695483 /nfs/dbraw/zinc/69/54/83/949695483.db2.gz NMZXYLPFEFAPHZ-VHDGCEQUSA-N -1 1 378.440 1.401 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574958795 949695497 /nfs/dbraw/zinc/69/54/97/949695497.db2.gz NMZXYLPFEFAPHZ-VHDGCEQUSA-N -1 1 378.440 1.401 20 0 GDADMM CC1(C(=O)N2C[C@@H](c3ccccc3)[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001575554639 949697329 /nfs/dbraw/zinc/69/73/29/949697329.db2.gz VFWXNOXEKCWPPF-GOEBONIOSA-N -1 1 390.451 1.863 20 0 GDADMM CC1(C(=O)N2C[C@@H](c3ccccc3)[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001575554639 949697341 /nfs/dbraw/zinc/69/73/41/949697341.db2.gz VFWXNOXEKCWPPF-GOEBONIOSA-N -1 1 390.451 1.863 20 0 GDADMM C[C@@H](NC(=O)CCc1ccc(F)cc1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575276132 949712337 /nfs/dbraw/zinc/71/23/37/949712337.db2.gz GUESMGHSIDLMOQ-NEPJUHHUSA-N -1 1 384.419 1.734 20 0 GDADMM C[C@@H](NC(=O)CCc1ccc(F)cc1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575276132 949712361 /nfs/dbraw/zinc/71/23/61/949712361.db2.gz GUESMGHSIDLMOQ-NEPJUHHUSA-N -1 1 384.419 1.734 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccsc1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574959759 949714420 /nfs/dbraw/zinc/71/44/20/949714420.db2.gz SQSNIVYAFCZCAF-KGYLQXTDSA-N -1 1 384.469 1.463 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccsc1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574959759 949714438 /nfs/dbraw/zinc/71/44/38/949714438.db2.gz SQSNIVYAFCZCAF-KGYLQXTDSA-N -1 1 384.469 1.463 20 0 GDADMM C[C@H]1CCCN(C(=O)Cc2ccoc2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576170342 949715258 /nfs/dbraw/zinc/71/52/58/949715258.db2.gz KJCJGTUYIASJGY-WFASDCNBSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@H]1CCCN(C(=O)Cc2ccoc2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576170342 949715279 /nfs/dbraw/zinc/71/52/79/949715279.db2.gz KJCJGTUYIASJGY-WFASDCNBSA-N -1 1 382.428 1.531 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cc[nH]c(=O)c1 ZINC001573818160 949722013 /nfs/dbraw/zinc/72/20/13/949722013.db2.gz HGQZHLBOYPISEE-LBPRGKRZSA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cc[nH]c(=O)c1 ZINC001573818160 949722027 /nfs/dbraw/zinc/72/20/27/949722027.db2.gz HGQZHLBOYPISEE-LBPRGKRZSA-N -1 1 383.416 1.014 20 0 GDADMM C[C@H]1CCCC[C@@H]1C(=O)NC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576170586 949723467 /nfs/dbraw/zinc/72/34/67/949723467.db2.gz MCOVPFGABIKWJU-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCCC[C@@H]1C(=O)NC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576170586 949723482 /nfs/dbraw/zinc/72/34/82/949723482.db2.gz MCOVPFGABIKWJU-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@@H]1CCC(C)(C)CO1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574717721 949744144 /nfs/dbraw/zinc/74/41/44/949744144.db2.gz WQYVVXJIJHEMKN-OLZOCXBDSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@@H]1CCC(C)(C)CO1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574717721 949744160 /nfs/dbraw/zinc/74/41/60/949744160.db2.gz WQYVVXJIJHEMKN-OLZOCXBDSA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001574136703 949748648 /nfs/dbraw/zinc/74/86/48/949748648.db2.gz PYOGJAZOMVAJTH-KFWWJZLASA-N -1 1 384.488 1.624 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001574136703 949748664 /nfs/dbraw/zinc/74/86/64/949748664.db2.gz PYOGJAZOMVAJTH-KFWWJZLASA-N -1 1 384.488 1.624 20 0 GDADMM C[C@H](CC(=O)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1)C(F)(F)F ZINC001574480195 949749566 /nfs/dbraw/zinc/74/95/66/949749566.db2.gz HKLLSRIEFGZAFE-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](CC(=O)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1)C(F)(F)F ZINC001574480195 949749574 /nfs/dbraw/zinc/74/95/74/949749574.db2.gz HKLLSRIEFGZAFE-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H]1CCCC[C@@H]1CC(=O)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576171613 949772672 /nfs/dbraw/zinc/77/26/72/949772672.db2.gz QOOHVUHKNWMDBY-LSDHHAIUSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@H]1CCCC[C@@H]1CC(=O)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576171613 949772689 /nfs/dbraw/zinc/77/26/89/949772689.db2.gz QOOHVUHKNWMDBY-LSDHHAIUSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CCC1(F)F ZINC001573821774 949776504 /nfs/dbraw/zinc/77/65/04/949776504.db2.gz DGVNBUZFPUUWSE-VHSXEESVSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CCC1(F)F ZINC001573821774 949776517 /nfs/dbraw/zinc/77/65/17/949776517.db2.gz DGVNBUZFPUUWSE-VHSXEESVSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@@H]1CCCN(C(=O)COC(C)(C)C)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576171792 949780110 /nfs/dbraw/zinc/78/01/10/949780110.db2.gz SKFVFDHWLRQWJJ-CHWSQXEVSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H]1CCCN(C(=O)COC(C)(C)C)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576171792 949780117 /nfs/dbraw/zinc/78/01/17/949780117.db2.gz SKFVFDHWLRQWJJ-CHWSQXEVSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574965769 949819437 /nfs/dbraw/zinc/81/94/37/949819437.db2.gz LPGNUHPBLYZJBT-YUELXQCFSA-N -1 1 378.440 1.401 20 0 GDADMM C[C@H]1CCCN(C(=O)CCC(F)F)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576172913 949826274 /nfs/dbraw/zinc/82/62/74/949826274.db2.gz ZIIFSPBIXDZEBM-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H]1CCCN(C(=O)CCC(F)F)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576172913 949826295 /nfs/dbraw/zinc/82/62/95/949826295.db2.gz ZIIFSPBIXDZEBM-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H]1CCCN(C(=O)CCC(F)F)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576172910 949826772 /nfs/dbraw/zinc/82/67/72/949826772.db2.gz ZIIFSPBIXDZEBM-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H]1CCCN(C(=O)CCC(F)F)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576172910 949826789 /nfs/dbraw/zinc/82/67/89/949826789.db2.gz ZIIFSPBIXDZEBM-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)C[C@H](C)CC(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C ZINC001574142544 949872933 /nfs/dbraw/zinc/87/29/33/949872933.db2.gz ZTPLWNXBGUDJSO-RRFJBIMHSA-N -1 1 386.504 1.918 20 0 GDADMM CC(C)C[C@H](C)CC(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C ZINC001574142544 949872949 /nfs/dbraw/zinc/87/29/49/949872949.db2.gz ZTPLWNXBGUDJSO-RRFJBIMHSA-N -1 1 386.504 1.918 20 0 GDADMM C[C@H](NC(=O)COC(C)(C)C)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575283898 949885598 /nfs/dbraw/zinc/88/55/98/949885598.db2.gz QZPMPKHYHUTAFF-QWHCGFSZSA-N -1 1 388.476 1.193 20 0 GDADMM C[C@H](NC(=O)COC(C)(C)C)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575283898 949885617 /nfs/dbraw/zinc/88/56/17/949885617.db2.gz QZPMPKHYHUTAFF-QWHCGFSZSA-N -1 1 388.476 1.193 20 0 GDADMM C[C@@H](CC(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CCCC1)C1CC1 ZINC001574487745 949935832 /nfs/dbraw/zinc/93/58/32/949935832.db2.gz BQMZFRUBUXTTRZ-WFASDCNBSA-N -1 1 384.488 1.602 20 0 GDADMM C[C@@H](CC(=O)N[C@]1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574488835 949954694 /nfs/dbraw/zinc/95/46/94/949954694.db2.gz GQIHJNFJJGLSHO-LKFCYVNXSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](CN(C)C(=O)COc1ccccc1F)Nc1nccnc1-c1nnn[n-]1 ZINC001574727302 949959223 /nfs/dbraw/zinc/95/92/23/949959223.db2.gz RNRMSMHDFUIYEQ-LLVKDONJSA-N -1 1 386.391 1.134 20 0 GDADMM C[C@H](CN(C)C(=O)COc1ccccc1F)Nc1nccnc1-c1nn[n-]n1 ZINC001574727302 949959241 /nfs/dbraw/zinc/95/92/41/949959241.db2.gz RNRMSMHDFUIYEQ-LLVKDONJSA-N -1 1 386.391 1.134 20 0 GDADMM C[C@@H](CC(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@@]2(C)C1)C1CC1 ZINC001574489608 949966077 /nfs/dbraw/zinc/96/60/77/949966077.db2.gz JQIFTSZCEOTJOJ-CFZJUORYSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H](CC(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@@]2(C)C1)C1CC1 ZINC001574489608 949966089 /nfs/dbraw/zinc/96/60/89/949966089.db2.gz JQIFTSZCEOTJOJ-CFZJUORYSA-N -1 1 382.472 1.378 20 0 GDADMM CC1(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CC2(C)C)CC(F)(F)C1 ZINC001575573697 950004825 /nfs/dbraw/zinc/00/48/25/950004825.db2.gz OGBXKLJKJUDUCA-LLVKDONJSA-N -1 1 392.414 1.423 20 0 GDADMM CC1(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CC2(C)C)CC(F)(F)C1 ZINC001575573697 950004852 /nfs/dbraw/zinc/00/48/52/950004852.db2.gz OGBXKLJKJUDUCA-LLVKDONJSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001574490623 950006712 /nfs/dbraw/zinc/00/67/12/950006712.db2.gz WHJOIQDPSBSOMQ-UMVBOHGHSA-N -1 1 381.444 1.368 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001574490623 950006735 /nfs/dbraw/zinc/00/67/35/950006735.db2.gz WHJOIQDPSBSOMQ-UMVBOHGHSA-N -1 1 381.444 1.368 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(F)CCCC2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576181482 950007270 /nfs/dbraw/zinc/00/72/70/950007270.db2.gz IMDNRKWSYAOKJP-CHWSQXEVSA-N -1 1 388.451 1.257 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ccc2c(c1)CCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574729615 950021697 /nfs/dbraw/zinc/02/16/97/950021697.db2.gz PDCPZMSREYGRFE-CYBMUJFWSA-N -1 1 392.467 1.069 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001574491203 950031729 /nfs/dbraw/zinc/03/17/29/950031729.db2.gz BATFBDWIUIWOCI-GDBMZVCRSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574491203 950031752 /nfs/dbraw/zinc/03/17/52/950031752.db2.gz BATFBDWIUIWOCI-GDBMZVCRSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(CCF)CC2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576182044 950033638 /nfs/dbraw/zinc/03/36/38/950033638.db2.gz KRSNWDUNFWDPEE-CHWSQXEVSA-N -1 1 388.451 1.115 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CCCCC1 ZINC001574491760 950046493 /nfs/dbraw/zinc/04/64/93/950046493.db2.gz FNQPPPRJLPQLDT-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CCCCC1 ZINC001574491760 950046516 /nfs/dbraw/zinc/04/65/16/950046516.db2.gz FNQPPPRJLPQLDT-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2ccccc2O)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575892292 950062676 /nfs/dbraw/zinc/06/26/76/950062676.db2.gz VKHUXDMUBWSXSW-AAEUAGOBSA-N -1 1 380.412 1.150 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2ccccc2O)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575892292 950062696 /nfs/dbraw/zinc/06/26/96/950062696.db2.gz VKHUXDMUBWSXSW-AAEUAGOBSA-N -1 1 380.412 1.150 20 0 GDADMM C[C@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001574492178 950068081 /nfs/dbraw/zinc/06/80/81/950068081.db2.gz KKQQSQJBUZQRBO-JZIBPQBNSA-N -1 1 382.472 1.709 20 0 GDADMM C[C@@H]1CCN(C(=O)Cc2ccc[nH]2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576182923 950071183 /nfs/dbraw/zinc/07/11/83/950071183.db2.gz OAXFPPYBWHRYNB-CHWSQXEVSA-N -1 1 381.444 1.124 20 0 GDADMM C[C@@H]1CCN(C(=O)Cc2ccc[nH]2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576182923 950071211 /nfs/dbraw/zinc/07/12/11/950071211.db2.gz OAXFPPYBWHRYNB-CHWSQXEVSA-N -1 1 381.444 1.124 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H](CO)Nc1nc(-c2nn[n-]n2)c(Cl)s1)C1CC1 ZINC001574492287 950071503 /nfs/dbraw/zinc/07/15/03/950071503.db2.gz ABEHDELDMNTXPY-CBAPKCEASA-N -1 1 385.881 1.302 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccsn2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576183057 950076843 /nfs/dbraw/zinc/07/68/43/950076843.db2.gz QNUBFDLXCDGHIW-ZWNOBZJWSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccsn2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576183057 950076866 /nfs/dbraw/zinc/07/68/66/950076866.db2.gz QNUBFDLXCDGHIW-ZWNOBZJWSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001574492360 950079502 /nfs/dbraw/zinc/07/95/02/950079502.db2.gz MIZVNTJJLXIRGG-PRTUASRFSA-N -1 1 382.472 1.709 20 0 GDADMM C[C@@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001574492360 950079523 /nfs/dbraw/zinc/07/95/23/950079523.db2.gz MIZVNTJJLXIRGG-PRTUASRFSA-N -1 1 382.472 1.709 20 0 GDADMM C[C@H](CC(=O)NC1CC(CNc2cncc(-c3nnn[n-]3)n2)C1)c1ccco1 ZINC001574492445 950082660 /nfs/dbraw/zinc/08/26/60/950082660.db2.gz MUWJCPIKSRVFMO-PNESKVBLSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](CC(=O)NC1CC(CNc2cncc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574492445 950082683 /nfs/dbraw/zinc/08/26/83/950082683.db2.gz MUWJCPIKSRVFMO-PNESKVBLSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](CN(C)C(=O)Cn1ccc2ccccc21)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574732932 950087838 /nfs/dbraw/zinc/08/78/38/950087838.db2.gz NDSRAOASSVCSCI-CYBMUJFWSA-N -1 1 391.439 1.570 20 0 GDADMM C[C@H](CN(C)C(=O)Cn1ccc2ccccc21)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574732932 950087861 /nfs/dbraw/zinc/08/78/61/950087861.db2.gz NDSRAOASSVCSCI-CYBMUJFWSA-N -1 1 391.439 1.570 20 0 GDADMM O=C([O-])C1CCN(c2ccc(CN3CCC([C@H]4COC(=O)N4)CC3)o2)CC1 ZINC001595294237 950101543 /nfs/dbraw/zinc/10/15/43/950101543.db2.gz YFVAPXCIBBTRGL-MRXNPFEDSA-N -1 1 377.441 1.901 20 0 GDADMM C[C@@]1(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)nn3)CCCC2)CCCOC1 ZINC001575582287 950111313 /nfs/dbraw/zinc/11/13/13/950111313.db2.gz HSNQVGZASJCZDG-QGZVFWFLSA-N -1 1 386.460 1.314 20 0 GDADMM C[C@@]1(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)nn3)CCCC2)CCCOC1 ZINC001575582287 950111327 /nfs/dbraw/zinc/11/13/27/950111327.db2.gz HSNQVGZASJCZDG-QGZVFWFLSA-N -1 1 386.460 1.314 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccoc2)[C@@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001576184042 950114688 /nfs/dbraw/zinc/11/46/88/950114688.db2.gz VKLLHJYEJPYRDD-TZMCWYRMSA-N -1 1 382.428 1.993 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccoc2)[C@@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001576184042 950114707 /nfs/dbraw/zinc/11/47/07/950114707.db2.gz VKLLHJYEJPYRDD-TZMCWYRMSA-N -1 1 382.428 1.993 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574734240 950131527 /nfs/dbraw/zinc/13/15/27/950131527.db2.gz LCHFQHOQROPRBQ-AEGPPILISA-N -1 1 378.440 1.141 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@]1(C)c1ccccc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574734263 950133696 /nfs/dbraw/zinc/13/36/96/950133696.db2.gz LLORDIGLLJQREM-ZQGRQUNCSA-N -1 1 392.467 1.893 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@]1(C)c1ccccc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574734263 950133708 /nfs/dbraw/zinc/13/37/08/950133708.db2.gz LLORDIGLLJQREM-ZQGRQUNCSA-N -1 1 392.467 1.893 20 0 GDADMM C[C@]1(C(=O)NCC2(Nc3nccnc3-c3nnn[n-]3)CCCCC2)CCOC1 ZINC001575582989 950134302 /nfs/dbraw/zinc/13/43/02/950134302.db2.gz NLWAITPOIBAGDL-KRWDZBQOSA-N -1 1 386.460 1.314 20 0 GDADMM C[C@]1(C(=O)NCC2(Nc3nccnc3-c3nn[n-]n3)CCCCC2)CCOC1 ZINC001575582989 950134315 /nfs/dbraw/zinc/13/43/15/950134315.db2.gz NLWAITPOIBAGDL-KRWDZBQOSA-N -1 1 386.460 1.314 20 0 GDADMM C[C@@H](CC(=O)NC1(CNc2cnc(-c3nnn[n-]3)cn2)CCOCC1)C1CC1 ZINC001574494250 950155204 /nfs/dbraw/zinc/15/52/04/950155204.db2.gz YFLGNFNKISUGAF-LBPRGKRZSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](CC(=O)NC1(CNc2cnc(-c3nn[n-]n3)cn2)CCOCC1)C1CC1 ZINC001574494250 950155213 /nfs/dbraw/zinc/15/52/13/950155213.db2.gz YFLGNFNKISUGAF-LBPRGKRZSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cccnc2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576185122 950159165 /nfs/dbraw/zinc/15/91/65/950159165.db2.gz ZJMGCPXRTOLWED-SWLSCSKDSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cccnc2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576185122 950159174 /nfs/dbraw/zinc/15/91/74/950159174.db2.gz ZJMGCPXRTOLWED-SWLSCSKDSA-N -1 1 379.428 1.405 20 0 GDADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001574154688 950174804 /nfs/dbraw/zinc/17/48/04/950174804.db2.gz GATGMYJQICPVRV-KKUMJFAQSA-N -1 1 384.488 1.458 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccccc2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576191009 950179930 /nfs/dbraw/zinc/17/99/30/950179930.db2.gz FVISFTJUZUAELH-DZGCQCFKSA-N -1 1 378.440 1.289 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccccc2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576191011 950180163 /nfs/dbraw/zinc/18/01/63/950180163.db2.gz FVISFTJUZUAELH-UKRRQHHQSA-N -1 1 378.440 1.289 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1ccc(F)cn1 ZINC001574155013 950182264 /nfs/dbraw/zinc/18/22/64/950182264.db2.gz HWQHVKKSGCIOAK-LBPRGKRZSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ccc(F)cn1 ZINC001574155013 950182277 /nfs/dbraw/zinc/18/22/77/950182277.db2.gz HWQHVKKSGCIOAK-LBPRGKRZSA-N -1 1 385.407 1.447 20 0 GDADMM C[C@H](CC(=O)NC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1ccco1 ZINC001574494788 950184207 /nfs/dbraw/zinc/18/42/07/950184207.db2.gz OKLSINBXMWCWPY-YPMHNXCESA-N -1 1 382.428 1.172 20 0 GDADMM CC1(C(=O)NC[C@H]2CCCCN2c2cnc(-c3nnn[n-]3)cn2)CC(F)(F)C1 ZINC001575585297 950191632 /nfs/dbraw/zinc/19/16/32/950191632.db2.gz YFEORLZKUVEDJF-LLVKDONJSA-N -1 1 392.414 1.567 20 0 GDADMM CC1(C(=O)NC[C@H]2CCCCN2c2cnc(-c3nn[n-]n3)cn2)CC(F)(F)C1 ZINC001575585297 950191647 /nfs/dbraw/zinc/19/16/47/950191647.db2.gz YFEORLZKUVEDJF-LLVKDONJSA-N -1 1 392.414 1.567 20 0 GDADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)Cc1ccccc1 ZINC001574155582 950200795 /nfs/dbraw/zinc/20/07/95/950200795.db2.gz OJHMOHCVSZIIBB-HNNXBMFYSA-N -1 1 380.456 1.264 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccns2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576191986 950220254 /nfs/dbraw/zinc/22/02/54/950220254.db2.gz JHHMDSHKZWIXBM-WDEREUQCSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccns2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576191986 950220277 /nfs/dbraw/zinc/22/02/77/950220277.db2.gz JHHMDSHKZWIXBM-WDEREUQCSA-N -1 1 385.457 1.324 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)Cc1ccsc1 ZINC001574156082 950223001 /nfs/dbraw/zinc/22/30/01/950223001.db2.gz WFXBPMYZEHFENH-CYBMUJFWSA-N -1 1 386.485 1.904 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)Cc1ccsc1 ZINC001574156082 950223020 /nfs/dbraw/zinc/22/30/20/950223020.db2.gz WFXBPMYZEHFENH-CYBMUJFWSA-N -1 1 386.485 1.904 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@]1(C)CCCOC1 ZINC001574156148 950226021 /nfs/dbraw/zinc/22/60/21/950226021.db2.gz XPXAZQZUAOJVOI-ACJLOTCBSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@]1(C)CCCOC1 ZINC001574156148 950226040 /nfs/dbraw/zinc/22/60/40/950226040.db2.gz XPXAZQZUAOJVOI-ACJLOTCBSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@@H]1CCCCO1 ZINC001574156223 950233447 /nfs/dbraw/zinc/23/34/47/950233447.db2.gz ZEHXATQFDISZNZ-KGLIPLIRSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@@H]1CCCCO1 ZINC001574156223 950233470 /nfs/dbraw/zinc/23/34/70/950233470.db2.gz ZEHXATQFDISZNZ-KGLIPLIRSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H](CC(=O)NCC1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574497770 950242927 /nfs/dbraw/zinc/24/29/27/950242927.db2.gz CQIUDNVDCVFCNA-VQCLRJIVSA-N -1 1 392.467 1.579 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573846088 950245246 /nfs/dbraw/zinc/24/52/46/950245246.db2.gz OAZMMPYCPMEOOP-BFHYXJOUSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573846088 950245257 /nfs/dbraw/zinc/24/52/57/950245257.db2.gz OAZMMPYCPMEOOP-BFHYXJOUSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001574157718 950251361 /nfs/dbraw/zinc/25/13/61/950251361.db2.gz HHMVPAVSEOOQCE-SOUVJXGZSA-N -1 1 384.488 1.458 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CCc1ccoc1 ZINC001574157777 950253317 /nfs/dbraw/zinc/25/33/17/950253317.db2.gz IJXAHBAHJUBVIF-AWEZNQCLSA-N -1 1 384.444 1.825 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CCc1ccoc1 ZINC001574157777 950253334 /nfs/dbraw/zinc/25/33/34/950253334.db2.gz IJXAHBAHJUBVIF-AWEZNQCLSA-N -1 1 384.444 1.825 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCC1)C(F)(F)F ZINC001574498098 950261803 /nfs/dbraw/zinc/26/18/03/950261803.db2.gz JXBMWRCNNYJVRM-VIFPVBQESA-N -1 1 384.366 1.118 20 0 GDADMM C[C@@H](CC(=O)NCC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C1CC1 ZINC001574498490 950276037 /nfs/dbraw/zinc/27/60/37/950276037.db2.gz OEUIWFLFHAOFGG-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](CC(=O)NCC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C1CC1 ZINC001574498490 950276053 /nfs/dbraw/zinc/27/60/53/950276053.db2.gz OEUIWFLFHAOFGG-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H]1CCN(C(=O)c2cccnc2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576192912 950278142 /nfs/dbraw/zinc/27/81/42/950278142.db2.gz RHTPKIMEGPUMSM-GXTWGEPZSA-N -1 1 379.428 1.262 20 0 GDADMM C[C@H]1CCN(C(=O)c2cccnc2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576192912 950278167 /nfs/dbraw/zinc/27/81/67/950278167.db2.gz RHTPKIMEGPUMSM-GXTWGEPZSA-N -1 1 379.428 1.262 20 0 GDADMM CC1(C(=O)NCC[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CC(F)(F)C1 ZINC001575592262 950281456 /nfs/dbraw/zinc/28/14/56/950281456.db2.gz FQJHNEBWUISSBP-NSHDSACASA-N -1 1 392.414 1.425 20 0 GDADMM CC1(C(=O)NCC[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC(F)(F)C1 ZINC001575592262 950281483 /nfs/dbraw/zinc/28/14/83/950281483.db2.gz FQJHNEBWUISSBP-NSHDSACASA-N -1 1 392.414 1.425 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cncc(F)c1 ZINC001574158533 950281531 /nfs/dbraw/zinc/28/15/31/950281531.db2.gz CDTQEDKVKZGEAJ-ZDUSSCGKSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cncc(F)c1 ZINC001574158533 950281552 /nfs/dbraw/zinc/28/15/52/950281552.db2.gz CDTQEDKVKZGEAJ-ZDUSSCGKSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H]1C[C@@H]1C(F)F ZINC001574158739 950285946 /nfs/dbraw/zinc/28/59/46/950285946.db2.gz RQKXZOMPDPKIEN-DCAQKATOSA-N -1 1 380.403 1.501 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H]1C[C@@H]1C(F)F ZINC001574158739 950285960 /nfs/dbraw/zinc/28/59/60/950285960.db2.gz RQKXZOMPDPKIEN-DCAQKATOSA-N -1 1 380.403 1.501 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C1(C)CCOCC1 ZINC001574158866 950290459 /nfs/dbraw/zinc/29/04/59/950290459.db2.gz DMHYUMDEAQUPPL-ZDUSSCGKSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C1(C)CCOCC1 ZINC001574158866 950290473 /nfs/dbraw/zinc/29/04/73/950290473.db2.gz DMHYUMDEAQUPPL-ZDUSSCGKSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)OC(=O)Cn1cnc(NC(=O)c2ccsc2-c2nnn[n-]2)n1 ZINC001573851485 950299305 /nfs/dbraw/zinc/29/93/05/950299305.db2.gz ZHZIWTGWVKOOLE-UHFFFAOYSA-N -1 1 376.402 1.114 20 0 GDADMM CC(C)(C)OC(=O)Cn1cnc(NC(=O)c2ccsc2-c2nn[n-]n2)n1 ZINC001573851485 950299324 /nfs/dbraw/zinc/29/93/24/950299324.db2.gz ZHZIWTGWVKOOLE-UHFFFAOYSA-N -1 1 376.402 1.114 20 0 GDADMM C[C@H](CC(=O)NCC1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C1CC1 ZINC001574500005 950307639 /nfs/dbraw/zinc/30/76/39/950307639.db2.gz XTURHAGQDXZKBO-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](CC(=O)NCC1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C1CC1 ZINC001574500005 950307660 /nfs/dbraw/zinc/30/76/60/950307660.db2.gz XTURHAGQDXZKBO-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C)OC(=O)N1CCCO[C@@H](CNC(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001573853149 950318697 /nfs/dbraw/zinc/31/86/97/950318697.db2.gz MDOKBXKDJNQKTJ-LBPRGKRZSA-N -1 1 392.416 1.216 20 0 GDADMM CC(C)(C)OC(=O)N1CCCO[C@@H](CNC(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001573853149 950318714 /nfs/dbraw/zinc/31/87/14/950318714.db2.gz MDOKBXKDJNQKTJ-LBPRGKRZSA-N -1 1 392.416 1.216 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)C1 ZINC001573853548 950328565 /nfs/dbraw/zinc/32/85/65/950328565.db2.gz RMFBQOBULGHLPP-INIZCTEOSA-N -1 1 376.421 1.566 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)C1 ZINC001573853548 950328585 /nfs/dbraw/zinc/32/85/85/950328585.db2.gz RMFBQOBULGHLPP-INIZCTEOSA-N -1 1 376.421 1.566 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001574501494 950335934 /nfs/dbraw/zinc/33/59/34/950335934.db2.gz DXJBFTMIQPYWON-GOEBONIOSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001574501494 950335954 /nfs/dbraw/zinc/33/59/54/950335954.db2.gz DXJBFTMIQPYWON-GOEBONIOSA-N -1 1 392.467 1.936 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cc1cscn1 ZINC001574160915 950349966 /nfs/dbraw/zinc/34/99/66/950349966.db2.gz QYHDDASBPIYHJY-LLVKDONJSA-N -1 1 387.473 1.299 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cc1cscn1 ZINC001574160915 950349987 /nfs/dbraw/zinc/34/99/87/950349987.db2.gz QYHDDASBPIYHJY-LLVKDONJSA-N -1 1 387.473 1.299 20 0 GDADMM CC(C)(C)OC(=O)N1CCO[C@@](C)(CNc2cc(-c3nnn[n-]3)ncn2)C1 ZINC001573856563 950387767 /nfs/dbraw/zinc/38/77/67/950387767.db2.gz DAQSJAQACUGGAY-INIZCTEOSA-N -1 1 376.421 1.095 20 0 GDADMM CC(C)(C)OC(=O)N1CCO[C@@](C)(CNc2cc(-c3nn[n-]n3)ncn2)C1 ZINC001573856563 950387788 /nfs/dbraw/zinc/38/77/88/950387788.db2.gz DAQSJAQACUGGAY-INIZCTEOSA-N -1 1 376.421 1.095 20 0 GDADMM C[C@@H](CC(=O)NCCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C1CC1 ZINC001574503468 950414829 /nfs/dbraw/zinc/41/48/29/950414829.db2.gz WYJUVAVNBCHVMQ-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](CC(=O)NCCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001574503468 950414847 /nfs/dbraw/zinc/41/48/47/950414847.db2.gz WYJUVAVNBCHVMQ-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C(=O)NC[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CC(F)(F)C1 ZINC001575597673 950415079 /nfs/dbraw/zinc/41/50/79/950415079.db2.gz VBSNFDHUCODFGE-AOOOYVTPSA-N -1 1 378.387 1.399 20 0 GDADMM CC1(C(=O)NC[C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CC(F)(F)C1 ZINC001575597673 950415089 /nfs/dbraw/zinc/41/50/89/950415089.db2.gz VBSNFDHUCODFGE-AOOOYVTPSA-N -1 1 378.387 1.399 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CC1CCOCC1 ZINC001574163154 950416587 /nfs/dbraw/zinc/41/65/87/950416587.db2.gz QFCFJUPVELNTEX-CQSZACIVSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CC1CCOCC1 ZINC001574163154 950416598 /nfs/dbraw/zinc/41/65/98/950416598.db2.gz QFCFJUPVELNTEX-CQSZACIVSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)c1ccco1 ZINC001574503689 950418960 /nfs/dbraw/zinc/41/89/60/950418960.db2.gz YSWIKIGGLJSZRF-QWHCGFSZSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](CC(=O)NCC=CCNc1cnc(-c2nnn[n-]2)cn1)c1ccncc1 ZINC001574503667 950419468 /nfs/dbraw/zinc/41/94/68/950419468.db2.gz YNXTVPQCZNZCAK-IBUXWKBASA-N -1 1 379.428 1.330 20 0 GDADMM C[C@@H](CC(=O)NCC=CCNc1cnc(-c2nn[n-]n2)cn1)c1ccncc1 ZINC001574503667 950419477 /nfs/dbraw/zinc/41/94/77/950419477.db2.gz YNXTVPQCZNZCAK-IBUXWKBASA-N -1 1 379.428 1.330 20 0 GDADMM C[C@@H](CNC(=O)c1cc(C(C)(C)C)on1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574996674 950529695 /nfs/dbraw/zinc/52/96/95/950529695.db2.gz OBXOALCPMLLGNR-JTQLQIEISA-N -1 1 385.432 1.197 20 0 GDADMM C[C@@H](CNC(=O)c1cc(C(C)(C)C)on1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574996674 950529712 /nfs/dbraw/zinc/52/97/12/950529712.db2.gz OBXOALCPMLLGNR-JTQLQIEISA-N -1 1 385.432 1.197 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc(Cl)s1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574753820 950543617 /nfs/dbraw/zinc/54/36/17/950543617.db2.gz SXZJNBKMIGIAQK-MRVPVSSYSA-N -1 1 378.849 1.366 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@]12CCC[C@@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001573868505 950543982 /nfs/dbraw/zinc/54/39/82/950543982.db2.gz CWSOPIKDYSLLII-KPZWWZAWSA-N -1 1 386.460 1.089 20 0 GDADMM C[C@]1(C(=O)N[C@H]2C[C@H](Nc3snc(Cl)c3-c3nnn[n-]3)C2)CCOC1 ZINC001575614632 950544929 /nfs/dbraw/zinc/54/49/29/950544929.db2.gz KQLHBQIRTMURRA-FZVNPBSJSA-N -1 1 383.865 1.462 20 0 GDADMM C[C@]1(C(=O)N[C@H]2C[C@H](Nc3snc(Cl)c3-c3nn[n-]n3)C2)CCOC1 ZINC001575614632 950544944 /nfs/dbraw/zinc/54/49/44/950544944.db2.gz KQLHBQIRTMURRA-FZVNPBSJSA-N -1 1 383.865 1.462 20 0 GDADMM CC(C)CCC(=O)N(CCO)CCNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574170809 950551216 /nfs/dbraw/zinc/55/12/16/950551216.db2.gz MCKATHKIPCCWMV-UHFFFAOYSA-N -1 1 387.897 1.646 20 0 GDADMM CC(C)CCC(=O)N(CCO)CCNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574170809 950551238 /nfs/dbraw/zinc/55/12/38/950551238.db2.gz MCKATHKIPCCWMV-UHFFFAOYSA-N -1 1 387.897 1.646 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cc(Cl)cn1C ZINC001575917011 950555579 /nfs/dbraw/zinc/55/55/79/950555579.db2.gz ULHJLCRYFJGLGL-ONGXEEELSA-N -1 1 387.835 1.364 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cc(Cl)cn1C ZINC001575917011 950555593 /nfs/dbraw/zinc/55/55/93/950555593.db2.gz ULHJLCRYFJGLGL-ONGXEEELSA-N -1 1 387.835 1.364 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc2c(c1)COC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574754068 950560623 /nfs/dbraw/zinc/56/06/23/950560623.db2.gz WUBPPFBQLFIPKA-LLVKDONJSA-N -1 1 380.412 1.260 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc2c(c1)COC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574754068 950560647 /nfs/dbraw/zinc/56/06/47/950560647.db2.gz WUBPPFBQLFIPKA-LLVKDONJSA-N -1 1 380.412 1.260 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc2[nH]ccc2c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574754134 950565724 /nfs/dbraw/zinc/56/57/24/950565724.db2.gz YERNGROJEUJYSZ-LLVKDONJSA-N -1 1 377.412 1.711 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc2[nH]ccc2c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574754134 950565729 /nfs/dbraw/zinc/56/57/29/950565729.db2.gz YERNGROJEUJYSZ-LLVKDONJSA-N -1 1 377.412 1.711 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C ZINC001573869540 950568011 /nfs/dbraw/zinc/56/80/11/950568011.db2.gz QFEYRVPMDMCDGH-CYBMUJFWSA-N -1 1 388.476 1.193 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C ZINC001573869540 950568024 /nfs/dbraw/zinc/56/80/24/950568024.db2.gz QFEYRVPMDMCDGH-CYBMUJFWSA-N -1 1 388.476 1.193 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1 ZINC001575615645 950571082 /nfs/dbraw/zinc/57/10/82/950571082.db2.gz FHBTYUNWRCYGFZ-RYUDHWBXSA-N -1 1 382.472 1.519 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1 ZINC001575615645 950571094 /nfs/dbraw/zinc/57/10/94/950571094.db2.gz FHBTYUNWRCYGFZ-RYUDHWBXSA-N -1 1 382.472 1.519 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)C1Cc2ccccc2C1 ZINC001575917406 950571373 /nfs/dbraw/zinc/57/13/73/950571373.db2.gz XJIOPWGMMJQRNJ-LRDDRELGSA-N -1 1 390.451 1.473 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)C1Cc2ccccc2C1 ZINC001575917406 950571388 /nfs/dbraw/zinc/57/13/88/950571388.db2.gz XJIOPWGMMJQRNJ-LRDDRELGSA-N -1 1 390.451 1.473 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C)c1ccccc1 ZINC001574511899 950577456 /nfs/dbraw/zinc/57/74/56/950577456.db2.gz VIMOZXLDHGRDJU-JJRVBVJISA-N -1 1 392.467 1.791 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C)c1ccccc1 ZINC001574511899 950577471 /nfs/dbraw/zinc/57/74/71/950577471.db2.gz VIMOZXLDHGRDJU-JJRVBVJISA-N -1 1 392.467 1.791 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575616095 950579984 /nfs/dbraw/zinc/57/99/84/950579984.db2.gz LZHVUQRUDWPNIH-LBPRGKRZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C)C(F)(F)F ZINC001574513203 950595314 /nfs/dbraw/zinc/59/53/14/950595314.db2.gz JLNQKMUPSOYFPA-BBBLOLIVSA-N -1 1 384.366 1.329 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C)C(F)(F)F ZINC001574513203 950595333 /nfs/dbraw/zinc/59/53/33/950595333.db2.gz JLNQKMUPSOYFPA-BBBLOLIVSA-N -1 1 384.366 1.329 20 0 GDADMM CC(C)(C)OCC(=O)N[C@]12CCC[C@@H]1N(c1nccnc1-c1nnn[n-]1)CC2 ZINC001573870837 950600459 /nfs/dbraw/zinc/60/04/59/950600459.db2.gz XWABFIBXGFJPJT-SGTLLEGYSA-N -1 1 386.460 1.089 20 0 GDADMM CC(C)(C)OCC(=O)N[C@]12CCC[C@@H]1N(c1nccnc1-c1nn[n-]n1)CC2 ZINC001573870837 950600472 /nfs/dbraw/zinc/60/04/72/950600472.db2.gz XWABFIBXGFJPJT-SGTLLEGYSA-N -1 1 386.460 1.089 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C[C@H](C)c1cccc(F)c1 ZINC001574513350 950606161 /nfs/dbraw/zinc/60/61/61/950606161.db2.gz PESJSWVKLDGWHS-NWDGAFQWSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@H](C)c1cccc(F)c1 ZINC001574513350 950606175 /nfs/dbraw/zinc/60/61/75/950606175.db2.gz PESJSWVKLDGWHS-NWDGAFQWSA-N -1 1 384.419 1.906 20 0 GDADMM CC(C)CCC(=O)N[C@@H]1CC[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001574174018 950616591 /nfs/dbraw/zinc/61/65/91/950616591.db2.gz DHDXATAXRGHIOT-RBSFLKMASA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)CCC(=O)N[C@@H]1CC[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001574174018 950616600 /nfs/dbraw/zinc/61/66/00/950616600.db2.gz DHDXATAXRGHIOT-RBSFLKMASA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C)n1cccc1 ZINC001574516239 950633023 /nfs/dbraw/zinc/63/30/23/950633023.db2.gz GQZWELDMRCKWQE-MCIONIFRSA-N -1 1 381.444 1.193 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C)n1cccc1 ZINC001574516239 950633035 /nfs/dbraw/zinc/63/30/35/950633035.db2.gz GQZWELDMRCKWQE-MCIONIFRSA-N -1 1 381.444 1.193 20 0 GDADMM CC1(C)C(C(=O)N2CC[C@H](CCNc3nccnc3-c3nnn[n-]3)C2)C1(C)C ZINC001575620795 950636776 /nfs/dbraw/zinc/63/67/76/950636776.db2.gz ZLYNJKHCYDXYGV-LBPRGKRZSA-N -1 1 384.488 1.989 20 0 GDADMM CC1(C)C(C(=O)N2CC[C@H](CCNc3nccnc3-c3nn[n-]n3)C2)C1(C)C ZINC001575620795 950636791 /nfs/dbraw/zinc/63/67/91/950636791.db2.gz ZLYNJKHCYDXYGV-LBPRGKRZSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ccncc1 ZINC001574517009 950641519 /nfs/dbraw/zinc/64/15/19/950641519.db2.gz KPHMIGNZXMRNLY-MRVWCRGKSA-N -1 1 379.428 1.305 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ccncc1 ZINC001574517009 950641533 /nfs/dbraw/zinc/64/15/33/950641533.db2.gz KPHMIGNZXMRNLY-MRVWCRGKSA-N -1 1 379.428 1.305 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001575623079 950643572 /nfs/dbraw/zinc/64/35/72/950643572.db2.gz HKUVOPCXODGPKN-PJXYFTJBSA-N -1 1 382.472 1.280 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccc(Cl)cn1 ZINC001575922448 950645504 /nfs/dbraw/zinc/64/55/04/950645504.db2.gz PPBFTIYYNMUCLV-GXSJLCMTSA-N -1 1 385.819 1.420 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccc(Cl)cn1 ZINC001575922448 950645517 /nfs/dbraw/zinc/64/55/17/950645517.db2.gz PPBFTIYYNMUCLV-GXSJLCMTSA-N -1 1 385.819 1.420 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)c1ccco1 ZINC001574518427 950656089 /nfs/dbraw/zinc/65/60/89/950656089.db2.gz OZZQPWOVSNKYCJ-AVGNSLFASA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)c1ccco1 ZINC001574518427 950656109 /nfs/dbraw/zinc/65/61/09/950656109.db2.gz OZZQPWOVSNKYCJ-AVGNSLFASA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccsc1Cl)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574760313 950663249 /nfs/dbraw/zinc/66/32/49/950663249.db2.gz IQQJOOBUXHOPRU-MRVPVSSYSA-N -1 1 378.849 1.366 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)ccc1Cl)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575002574 950663151 /nfs/dbraw/zinc/66/31/51/950663151.db2.gz VJTPHERYGUYDJE-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)ccc1Cl)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575002574 950663169 /nfs/dbraw/zinc/66/31/69/950663169.db2.gz VJTPHERYGUYDJE-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccnc(C2CC2)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574760496 950664327 /nfs/dbraw/zinc/66/43/27/950664327.db2.gz VWCKIBCGOAUNRE-LLVKDONJSA-N -1 1 379.428 1.502 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccnc(C2CC2)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574760496 950664338 /nfs/dbraw/zinc/66/43/38/950664338.db2.gz VWCKIBCGOAUNRE-LLVKDONJSA-N -1 1 379.428 1.502 20 0 GDADMM C[C@H](CN(C)C(=O)c1cccc2c1CCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574760510 950668307 /nfs/dbraw/zinc/66/83/07/950668307.db2.gz WGGZBTGCYSJTGB-GFCCVEGCSA-N -1 1 378.440 1.140 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1scnc1Cl ZINC001575924124 950668658 /nfs/dbraw/zinc/66/86/58/950668658.db2.gz DRMJQNBOROZMKS-HTQZYQBOSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1scnc1Cl ZINC001575924124 950668666 /nfs/dbraw/zinc/66/86/66/950668666.db2.gz DRMJQNBOROZMKS-HTQZYQBOSA-N -1 1 391.848 1.482 20 0 GDADMM CC1(C)[C@H](NC(=O)CCCF)[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)[C@H]21 ZINC001575624919 950678511 /nfs/dbraw/zinc/67/85/11/950678511.db2.gz QQQBSGQRGYKYLI-HFBAOOFYSA-N -1 1 388.451 1.516 20 0 GDADMM CC1(C)[C@H](NC(=O)CCCF)[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)[C@H]21 ZINC001575624919 950678523 /nfs/dbraw/zinc/67/85/23/950678523.db2.gz QQQBSGQRGYKYLI-HFBAOOFYSA-N -1 1 388.451 1.516 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N(C)C[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574760835 950683891 /nfs/dbraw/zinc/68/38/91/950683891.db2.gz MPDGXUYQWKAFCX-NSHDSACASA-N -1 1 384.448 1.086 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N(C)C[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574760835 950683902 /nfs/dbraw/zinc/68/39/02/950683902.db2.gz MPDGXUYQWKAFCX-NSHDSACASA-N -1 1 384.448 1.086 20 0 GDADMM CC(C)(C)Oc1cccc(CNC(=O)NCCn2cnc(-c3nn[n-]n3)n2)c1 ZINC001573876925 950684855 /nfs/dbraw/zinc/68/48/55/950684855.db2.gz WMJZFXGHQVHTQE-UHFFFAOYSA-N -1 1 385.432 1.135 20 0 GDADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc2cc[nH]c2c1 ZINC001575925843 950693023 /nfs/dbraw/zinc/69/30/23/950693023.db2.gz VGIGYJVRWXVYMK-SMDDNHRTSA-N -1 1 389.423 1.275 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccnn1C1CCC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574761166 950693452 /nfs/dbraw/zinc/69/34/52/950693452.db2.gz RRGMTXIYUDSAPE-LLVKDONJSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccnn1C1CCC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574761166 950693467 /nfs/dbraw/zinc/69/34/67/950693467.db2.gz RRGMTXIYUDSAPE-LLVKDONJSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574519729 950693957 /nfs/dbraw/zinc/69/39/57/950693957.db2.gz YBGDOJLCAJCFNG-AVGNSLFASA-N -1 1 382.428 1.172 20 0 GDADMM CC1(C)CC(C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575625745 950696263 /nfs/dbraw/zinc/69/62/63/950696263.db2.gz VPTHJFNJQPRJCC-KGLIPLIRSA-N -1 1 382.472 1.663 20 0 GDADMM CC1(C)CC(C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575625745 950696278 /nfs/dbraw/zinc/69/62/78/950696278.db2.gz VPTHJFNJQPRJCC-KGLIPLIRSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cscc1Cl ZINC001575925879 950696361 /nfs/dbraw/zinc/69/63/61/950696361.db2.gz VTUWICCFEQLRDQ-LDYMZIIASA-N -1 1 390.860 1.509 20 0 GDADMM CC1(C)CC(C(=O)N2CCC[C@H]3[C@H]2CCN3c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575625859 950700102 /nfs/dbraw/zinc/70/01/02/950700102.db2.gz YTUFWIWXFVPCFX-LSDHHAIUSA-N -1 1 382.472 1.663 20 0 GDADMM CC1(C)CC(C(=O)N2CCC[C@H]3[C@H]2CCN3c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575625859 950700116 /nfs/dbraw/zinc/70/01/16/950700116.db2.gz YTUFWIWXFVPCFX-LSDHHAIUSA-N -1 1 382.472 1.663 20 0 GDADMM CC1(C)CC(C(=O)N2CC[C@@H]3[C@@H](CCN3c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001575625886 950701941 /nfs/dbraw/zinc/70/19/41/950701941.db2.gz ZTOFXZBFZIXJCB-SWLSCSKDSA-N -1 1 382.472 1.520 20 0 GDADMM CC1(C)CC(C(=O)N2CC[C@@H]3[C@@H](CCN3c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001575625886 950701950 /nfs/dbraw/zinc/70/19/50/950701950.db2.gz ZTOFXZBFZIXJCB-SWLSCSKDSA-N -1 1 382.472 1.520 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001573878344 950705288 /nfs/dbraw/zinc/70/52/88/950705288.db2.gz MZAVRBHHEXRLTF-XGFWRYKXSA-N -1 1 382.472 1.137 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001573878344 950705299 /nfs/dbraw/zinc/70/52/99/950705299.db2.gz MZAVRBHHEXRLTF-XGFWRYKXSA-N -1 1 382.472 1.137 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576215812 950709276 /nfs/dbraw/zinc/70/92/76/950709276.db2.gz BMXUGHNCMSHOKW-WDEREUQCSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576215812 950709295 /nfs/dbraw/zinc/70/92/95/950709295.db2.gz BMXUGHNCMSHOKW-WDEREUQCSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576216168 950722328 /nfs/dbraw/zinc/72/23/28/950722328.db2.gz CMDVBOUSUMOLLD-QWRGUYRKSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576216168 950722344 /nfs/dbraw/zinc/72/23/44/950722344.db2.gz CMDVBOUSUMOLLD-QWRGUYRKSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cnccn1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574763770 950731774 /nfs/dbraw/zinc/73/17/74/950731774.db2.gz KLEAWJFBYCQYPQ-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cnccn1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574763770 950731792 /nfs/dbraw/zinc/73/17/92/950731792.db2.gz KLEAWJFBYCQYPQ-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cc2c([nH]1)CCC2 ZINC001575927320 950741198 /nfs/dbraw/zinc/74/11/98/950741198.db2.gz PAJYICPBSARIIB-PWSUYJOCSA-N -1 1 379.428 1.189 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cc2c([nH]1)CCC2 ZINC001575927320 950741209 /nfs/dbraw/zinc/74/12/09/950741209.db2.gz PAJYICPBSARIIB-PWSUYJOCSA-N -1 1 379.428 1.189 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@H]1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573880265 950744443 /nfs/dbraw/zinc/74/44/43/950744443.db2.gz WZAXTSPAQVZBCY-AAVRWANBSA-N -1 1 384.488 1.600 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C2CCC2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576217035 950751248 /nfs/dbraw/zinc/75/12/48/950751248.db2.gz GFLNLZAYPMAZFA-STQMWFEESA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C2CCC2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576217035 950751268 /nfs/dbraw/zinc/75/12/68/950751268.db2.gz GFLNLZAYPMAZFA-STQMWFEESA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)n1cnc(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@H]2C)c1 ZINC001575928040 950767183 /nfs/dbraw/zinc/76/71/83/950767183.db2.gz XXYCSJQEEKFDPI-VXGBXAGGSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1cnc(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@H]2C)c1 ZINC001575928040 950767204 /nfs/dbraw/zinc/76/72/04/950767204.db2.gz XXYCSJQEEKFDPI-VXGBXAGGSA-N -1 1 382.432 1.149 20 0 GDADMM C[C@@H]1CN(C(=O)C(C2CC2)C2CC2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576217719 950767934 /nfs/dbraw/zinc/76/79/34/950767934.db2.gz IULVVCULNDFYNR-BXUZGUMPSA-N -1 1 382.472 1.599 20 0 GDADMM C[C@@H]1CN(C(=O)C(C2CC2)C2CC2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576217719 950767948 /nfs/dbraw/zinc/76/79/48/950767948.db2.gz IULVVCULNDFYNR-BXUZGUMPSA-N -1 1 382.472 1.599 20 0 GDADMM CC(C)(C)c1n[nH]cc1C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573884108 950784791 /nfs/dbraw/zinc/78/47/91/950784791.db2.gz IIBHOWNQJRPZNV-MGCOHNPYSA-N -1 1 382.432 1.050 20 0 GDADMM CC(C)(C)c1n[nH]cc1C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573884108 950784807 /nfs/dbraw/zinc/78/48/07/950784807.db2.gz IIBHOWNQJRPZNV-MGCOHNPYSA-N -1 1 382.432 1.050 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccncc1Cl ZINC001575929989 950790424 /nfs/dbraw/zinc/79/04/24/950790424.db2.gz DCHYXSROBYJSIK-SKDRFNHKSA-N -1 1 385.819 1.420 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccncc1Cl ZINC001575929989 950790442 /nfs/dbraw/zinc/79/04/42/950790442.db2.gz DCHYXSROBYJSIK-SKDRFNHKSA-N -1 1 385.819 1.420 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)c2ccccc2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576218824 950793752 /nfs/dbraw/zinc/79/37/52/950793752.db2.gz MSOIYEPUAXHQRE-XJKSGUPXSA-N -1 1 392.467 1.893 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)c2ccccc2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576218824 950793766 /nfs/dbraw/zinc/79/37/66/950793766.db2.gz MSOIYEPUAXHQRE-XJKSGUPXSA-N -1 1 392.467 1.893 20 0 GDADMM CC(C)c1nc(C(=O)N(C)C[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)cs1 ZINC001574765612 950795959 /nfs/dbraw/zinc/79/59/59/950795959.db2.gz IOFXPGMGVVADGT-JTQLQIEISA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)c1nc(C(=O)N(C)C[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)cs1 ZINC001574765612 950795973 /nfs/dbraw/zinc/79/59/73/950795973.db2.gz IOFXPGMGVVADGT-JTQLQIEISA-N -1 1 387.473 1.809 20 0 GDADMM CC1(C)CC(CC(=O)NCC[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001575632490 950800377 /nfs/dbraw/zinc/80/03/77/950800377.db2.gz JUZAUNROZGZZKE-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C)CC(CC(=O)NCC[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001575632490 950800407 /nfs/dbraw/zinc/80/04/07/950800407.db2.gz JUZAUNROZGZZKE-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)COc1ccsc1 ZINC001575931866 950813622 /nfs/dbraw/zinc/81/36/22/950813622.db2.gz JFNPQBHIADCWHJ-CMPLNLGQSA-N -1 1 386.441 1.199 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)COc1ccsc1 ZINC001575931866 950813637 /nfs/dbraw/zinc/81/36/37/950813637.db2.gz JFNPQBHIADCWHJ-CMPLNLGQSA-N -1 1 386.441 1.199 20 0 GDADMM CC(C)(C)c1n[nH]cc1C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573885099 950815254 /nfs/dbraw/zinc/81/52/54/950815254.db2.gz RRFAUEIHRFYJHP-SNVBAGLBSA-N -1 1 382.432 1.004 20 0 GDADMM CC(C)(C)c1n[nH]cc1C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573885099 950815266 /nfs/dbraw/zinc/81/52/66/950815266.db2.gz RRFAUEIHRFYJHP-SNVBAGLBSA-N -1 1 382.432 1.004 20 0 GDADMM C[C@H](CN(C)C(=O)c1csc(C2CC2)n1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574767611 950858191 /nfs/dbraw/zinc/85/81/91/950858191.db2.gz TVPNYQFLGBBFHV-SECBINFHSA-N -1 1 385.457 1.563 20 0 GDADMM C[C@H](CN(C)C(=O)c1csc(C2CC2)n1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574767611 950858202 /nfs/dbraw/zinc/85/82/02/950858202.db2.gz TVPNYQFLGBBFHV-SECBINFHSA-N -1 1 385.457 1.563 20 0 GDADMM CC(C)CCCC(=O)N[C@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001574189231 950868571 /nfs/dbraw/zinc/86/85/71/950868571.db2.gz GHCXISRTXDYEQC-HNNXBMFYSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CCCC(=O)N[C@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001574189231 950868595 /nfs/dbraw/zinc/86/85/95/950868595.db2.gz GHCXISRTXDYEQC-HNNXBMFYSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)COCC1CCCC1 ZINC001575934993 950872506 /nfs/dbraw/zinc/87/25/06/950872506.db2.gz UGPJULOMCUERDX-GXTWGEPZSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)COCC1CCCC1 ZINC001575934993 950872519 /nfs/dbraw/zinc/87/25/19/950872519.db2.gz UGPJULOMCUERDX-GXTWGEPZSA-N -1 1 386.460 1.265 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)n1 ZINC001573888669 950876743 /nfs/dbraw/zinc/87/67/43/950876743.db2.gz YFHRFMGIYDQEJD-LBPRGKRZSA-N -1 1 386.460 1.405 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)n1 ZINC001573888669 950876764 /nfs/dbraw/zinc/87/67/64/950876764.db2.gz YFHRFMGIYDQEJD-LBPRGKRZSA-N -1 1 386.460 1.405 20 0 GDADMM C[C@@H]1[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)CCN1C(=O)c1cnon1 ZINC001575935411 950876975 /nfs/dbraw/zinc/87/69/75/950876975.db2.gz WBXVGLYHOAZDNH-RITPCOANSA-N -1 1 381.809 1.075 20 0 GDADMM C[C@@H]1[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCN1C(=O)c1cnon1 ZINC001575935411 950876984 /nfs/dbraw/zinc/87/69/84/950876984.db2.gz WBXVGLYHOAZDNH-RITPCOANSA-N -1 1 381.809 1.075 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)CC=CC2)CC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576226824 950892647 /nfs/dbraw/zinc/89/26/47/950892647.db2.gz AVYZKTRRGFXPAL-KBPBESRZSA-N -1 1 382.472 1.910 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)CC=CC2)CC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576226824 950892662 /nfs/dbraw/zinc/89/26/62/950892662.db2.gz AVYZKTRRGFXPAL-KBPBESRZSA-N -1 1 382.472 1.910 20 0 GDADMM C[C@H]1CN(C(=O)C2CCC(F)(F)CC2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576227312 950905118 /nfs/dbraw/zinc/90/51/18/950905118.db2.gz FTPQDBZFOPZMAC-GXFFZTMASA-N -1 1 392.414 1.741 20 0 GDADMM C[C@H]1CN(C(=O)C2CCC(F)(F)CC2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576227312 950905130 /nfs/dbraw/zinc/90/51/30/950905130.db2.gz FTPQDBZFOPZMAC-GXFFZTMASA-N -1 1 392.414 1.741 20 0 GDADMM CC1(C)C[C@H]1C(=O)N1CC[C@]2(C1)CCCN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001575642040 950931574 /nfs/dbraw/zinc/93/15/74/950931574.db2.gz DMBLWCCCLKHKKX-ORAYPTAESA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)C[C@H]1C(=O)N1CC[C@]2(C1)CCCN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001575642040 950931591 /nfs/dbraw/zinc/93/15/91/950931591.db2.gz DMBLWCCCLKHKKX-ORAYPTAESA-N -1 1 382.472 1.522 20 0 GDADMM CC(C)(CC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1)C(F)(F)F ZINC001573895502 950938300 /nfs/dbraw/zinc/93/83/00/950938300.db2.gz BWGRNYIZZADBQY-UHFFFAOYSA-N -1 1 384.366 1.696 20 0 GDADMM CC(C)(CC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1)C(F)(F)F ZINC001573895502 950938313 /nfs/dbraw/zinc/93/83/13/950938313.db2.gz BWGRNYIZZADBQY-UHFFFAOYSA-N -1 1 384.366 1.696 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001573895562 950944326 /nfs/dbraw/zinc/94/43/26/950944326.db2.gz CUSAYCBZTVCOIX-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001573895562 950944341 /nfs/dbraw/zinc/94/43/41/950944341.db2.gz CUSAYCBZTVCOIX-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C3CCC3)CCC2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576228615 950950839 /nfs/dbraw/zinc/95/08/39/950950839.db2.gz HWUXVZTZCQDJDC-IUODEOHRSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C3CCC3)CCC2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576228615 950950863 /nfs/dbraw/zinc/95/08/63/950950863.db2.gz HWUXVZTZCQDJDC-IUODEOHRSA-N -1 1 382.472 1.886 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC1(C)C)C1CC1 ZINC001573897851 950969277 /nfs/dbraw/zinc/96/92/77/950969277.db2.gz VCNFVGUCJJEFBL-CYBMUJFWSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC1(C)C)C1CC1 ZINC001573897851 950969291 /nfs/dbraw/zinc/96/92/91/950969291.db2.gz VCNFVGUCJJEFBL-CYBMUJFWSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(CC(=O)NCC=CCNc1nccnc1-c1nnn[n-]1)CC(F)F ZINC001573899492 950980040 /nfs/dbraw/zinc/98/00/40/950980040.db2.gz APFUITZEJHMQKN-ARJAWSKDSA-N -1 1 380.403 1.813 20 0 GDADMM CC(C)(CC(=O)NCC=CCNc1nccnc1-c1nn[n-]n1)CC(F)F ZINC001573899492 950980060 /nfs/dbraw/zinc/98/00/60/950980060.db2.gz APFUITZEJHMQKN-ARJAWSKDSA-N -1 1 380.403 1.813 20 0 GDADMM C[C@H](CNC(=O)c1ccc(=O)[nH]c1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575017482 950995309 /nfs/dbraw/zinc/99/53/09/950995309.db2.gz GSCGGHMVDHPDEF-ZCFIWIBFSA-N -1 1 380.821 1.308 20 0 GDADMM C[C@H](CNC(=O)c1ccc(=O)[nH]c1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575017482 950995321 /nfs/dbraw/zinc/99/53/21/950995321.db2.gz GSCGGHMVDHPDEF-ZCFIWIBFSA-N -1 1 380.821 1.308 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)F)nc1)CNc1nccnc1-c1nnn[n-]1 ZINC001575018116 951016441 /nfs/dbraw/zinc/01/64/41/951016441.db2.gz KULKIGRCUIZPEM-VIFPVBQESA-N -1 1 389.370 1.467 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)F)nc1)CNc1nccnc1-c1nn[n-]n1 ZINC001575018116 951016457 /nfs/dbraw/zinc/01/64/57/951016457.db2.gz KULKIGRCUIZPEM-VIFPVBQESA-N -1 1 389.370 1.467 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(C)(F)F)cc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575018686 951024428 /nfs/dbraw/zinc/02/44/28/951024428.db2.gz ONLXVVCXHMEDGH-SNVBAGLBSA-N -1 1 388.382 1.999 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(C)(F)F)cc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575018686 951024443 /nfs/dbraw/zinc/02/44/43/951024443.db2.gz ONLXVVCXHMEDGH-SNVBAGLBSA-N -1 1 388.382 1.999 20 0 GDADMM CC(C)c1ccc(C(=O)NC[C@H](C)CNc2ccnc(-c3nn[n-]n3)n2)nc1 ZINC001575019091 951033145 /nfs/dbraw/zinc/03/31/45/951033145.db2.gz RODFCOXQRMPFCT-GFCCVEGCSA-N -1 1 381.444 1.075 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)c(Cl)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575023289 951077370 /nfs/dbraw/zinc/07/73/70/951077370.db2.gz MDZZGPSZROIDKF-QMMMGPOBSA-N -1 1 376.783 1.102 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)c(Cl)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575024228 951096918 /nfs/dbraw/zinc/09/69/18/951096918.db2.gz YERCPISCJCZHJA-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)c(Cl)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575024228 951096931 /nfs/dbraw/zinc/09/69/31/951096931.db2.gz YERCPISCJCZHJA-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)C[C@H](C)O2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575024478 951105327 /nfs/dbraw/zinc/10/53/27/951105327.db2.gz FMJBVFAKJHGRAC-MNOVXSKESA-N -1 1 380.412 1.211 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)C[C@H](C)O2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575024478 951105333 /nfs/dbraw/zinc/10/53/33/951105333.db2.gz FMJBVFAKJHGRAC-MNOVXSKESA-N -1 1 380.412 1.211 20 0 GDADMM CC(C)Oc1ccc(C(=O)NC[C@@H](C)Nc2nccnc2-c2nnn[n-]2)cc1 ZINC001575024659 951109605 /nfs/dbraw/zinc/10/96/05/951109605.db2.gz KDEOCVGKSXPHCJ-GFCCVEGCSA-N -1 1 382.428 1.674 20 0 GDADMM CC(C)Oc1ccc(C(=O)NC[C@@H](C)Nc2nccnc2-c2nn[n-]n2)cc1 ZINC001575024659 951109609 /nfs/dbraw/zinc/10/96/09/951109609.db2.gz KDEOCVGKSXPHCJ-GFCCVEGCSA-N -1 1 382.428 1.674 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)nc1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575025445 951131377 /nfs/dbraw/zinc/13/13/77/951131377.db2.gz ZKVSXJXBPRDQAW-LURJTMIESA-N -1 1 382.812 1.741 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(F)c1Cl)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575025864 951136594 /nfs/dbraw/zinc/13/65/94/951136594.db2.gz CJQNBTQEPGJWIC-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(F)c1Cl)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575025864 951136608 /nfs/dbraw/zinc/13/66/08/951136608.db2.gz CJQNBTQEPGJWIC-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM CCOC(=O)c1sc(NC(=O)CN2CCN(C)C(C)(C)C2)c(C(=O)[O-])c1C ZINC001591466726 951146891 /nfs/dbraw/zinc/14/68/91/951146891.db2.gz LWNVTVCNQRIVKV-UHFFFAOYSA-N -1 1 397.497 1.896 20 0 GDADMM CC(C)Oc1cccc(C(=O)NC[C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001575026868 951147735 /nfs/dbraw/zinc/14/77/35/951147735.db2.gz AAJSIRYRHWVIJV-LLVKDONJSA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1cccc(C(=O)NC[C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001575026868 951147748 /nfs/dbraw/zinc/14/77/48/951147748.db2.gz AAJSIRYRHWVIJV-LLVKDONJSA-N -1 1 383.416 1.069 20 0 GDADMM C[C@H](CNC(=O)c1cccc(Cl)c1F)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575027125 951153164 /nfs/dbraw/zinc/15/31/64/951153164.db2.gz PQRBHDRYYDVOQN-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1cccc2ccncc21)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575027637 951162655 /nfs/dbraw/zinc/16/26/55/951162655.db2.gz HIYGMCBNMOKXGE-GFCCVEGCSA-N -1 1 389.423 1.460 20 0 GDADMM C[C@H](CNC(=O)c1cccc2ccncc21)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575027637 951162662 /nfs/dbraw/zinc/16/26/62/951162662.db2.gz HIYGMCBNMOKXGE-GFCCVEGCSA-N -1 1 389.423 1.460 20 0 GDADMM C[C@@H](CNC(=O)c1ccnc2ccncc21)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575034882 951261323 /nfs/dbraw/zinc/26/13/23/951261323.db2.gz PYSQEVCWLWQVCB-LLVKDONJSA-N -1 1 390.411 1.078 20 0 GDADMM C[C@@H](CNC(=O)c1ccnc2ccncc21)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575034882 951261337 /nfs/dbraw/zinc/26/13/37/951261337.db2.gz PYSQEVCWLWQVCB-LLVKDONJSA-N -1 1 390.411 1.078 20 0 GDADMM O=C([O-])CC[C@@H]1CCCN(C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC001595013142 951276714 /nfs/dbraw/zinc/27/67/14/951276714.db2.gz YBEYCRBHPUDXNM-LBPRGKRZSA-N -1 1 375.450 1.789 20 0 GDADMM CCOc1ccc([C@@H]2CCCN2C(=O)CNC2(C(=O)[O-])CCOCC2)cc1 ZINC001592426138 951327849 /nfs/dbraw/zinc/32/78/49/951327849.db2.gz NAMOMCOUWVZEGI-KRWDZBQOSA-N -1 1 376.453 1.972 20 0 GDADMM CCOc1ccccc1-c1cc(C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])n[nH]1 ZINC001592993036 951377578 /nfs/dbraw/zinc/37/75/78/951377578.db2.gz BPRZVRYAKQEOAI-GFCCVEGCSA-N -1 1 388.424 1.527 20 0 GDADMM C[C@H](CNC(=O)c1cnc(C(C)(C)C)s1)Nc1nccnc1-c1nnn[n-]1 ZINC001575044945 951423623 /nfs/dbraw/zinc/42/36/23/951423623.db2.gz XWAXKVATGOZTMI-SECBINFHSA-N -1 1 387.473 1.641 20 0 GDADMM C[C@H](CNC(=O)c1cnc(C(C)(C)C)s1)Nc1nccnc1-c1nn[n-]n1 ZINC001575044945 951423629 /nfs/dbraw/zinc/42/36/29/951423629.db2.gz XWAXKVATGOZTMI-SECBINFHSA-N -1 1 387.473 1.641 20 0 GDADMM C[C@@H](CNC(=O)c1cncnc1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575045357 951425666 /nfs/dbraw/zinc/42/56/66/951425666.db2.gz AJZBVZCBMMXCHV-ZETCQYMHSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@H](CNC(=O)c1cnn(C(C)(C)C)c1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575051922 951457049 /nfs/dbraw/zinc/45/70/49/951457049.db2.gz AXEOMIKRDNYUKX-NSHDSACASA-N -1 1 384.448 1.086 20 0 GDADMM C[C@H](CNC(=O)c1cnn(C(C)(C)C)c1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575051922 951457057 /nfs/dbraw/zinc/45/70/57/951457057.db2.gz AXEOMIKRDNYUKX-NSHDSACASA-N -1 1 384.448 1.086 20 0 GDADMM C[C@H](CNC(=O)c1coc(C(C)(C)C)n1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575056297 951518933 /nfs/dbraw/zinc/51/89/33/951518933.db2.gz GYCDRSQZGSYZJL-SNVBAGLBSA-N -1 1 385.432 1.197 20 0 GDADMM C[C@H](CNC(=O)c1csc(C2CC2)n1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575058136 951534941 /nfs/dbraw/zinc/53/49/41/951534941.db2.gz UXEQDHNLPKMWFH-VIFPVBQESA-N -1 1 385.457 1.469 20 0 GDADMM C[C@H](CNC(=O)c1csc(C2CC2)n1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575058136 951534951 /nfs/dbraw/zinc/53/49/51/951534951.db2.gz UXEQDHNLPKMWFH-VIFPVBQESA-N -1 1 385.457 1.469 20 0 GDADMM C[C@H](CNC(=O)c1cscn1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575060607 951541715 /nfs/dbraw/zinc/54/17/15/951541715.db2.gz AUYRXNGHJRDYRM-ZCFIWIBFSA-N -1 1 384.878 1.911 20 0 GDADMM C[C@H](CNC(=O)c1cscn1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575060607 951541720 /nfs/dbraw/zinc/54/17/20/951541720.db2.gz AUYRXNGHJRDYRM-ZCFIWIBFSA-N -1 1 384.878 1.911 20 0 GDADMM C[C@@H](CNC(=O)c1csnn1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001575061550 951558623 /nfs/dbraw/zinc/55/86/23/951558623.db2.gz NHLIASNJQSQSCT-YFKPBYRVSA-N -1 1 385.866 1.083 20 0 GDADMM C[C@@H](CNC(=O)c1csnn1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001575061550 951558631 /nfs/dbraw/zinc/55/86/31/951558631.db2.gz NHLIASNJQSQSCT-YFKPBYRVSA-N -1 1 385.866 1.083 20 0 GDADMM C[C@@H](CNC(=O)c1ocnc1C(F)F)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575066023 951593275 /nfs/dbraw/zinc/59/32/75/951593275.db2.gz JRTYINUEJAIIQS-SSDOTTSWSA-N -1 1 379.331 1.060 20 0 GDADMM C[C@@H](CNC(=O)c1ocnc1C(F)F)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575066023 951593282 /nfs/dbraw/zinc/59/32/82/951593282.db2.gz JRTYINUEJAIIQS-SSDOTTSWSA-N -1 1 379.331 1.060 20 0 GDADMM O=C([O-])CN(CC1CC1)C(=O)c1cccc(I)c1O ZINC001595071900 951602847 /nfs/dbraw/zinc/60/28/47/951602847.db2.gz BFWDXPVNCQFRNL-UHFFFAOYSA-N -1 1 375.162 1.934 20 0 GDADMM C[C@@H](CNC(=O)c1ncccc1[O-])N(C)c1ncc(-c2nn[nH]n2)cc1Cl ZINC001575068317 951634175 /nfs/dbraw/zinc/63/41/75/951634175.db2.gz ZURCJHGZPDCQRO-VIFPVBQESA-N -1 1 388.819 1.270 20 0 GDADMM C[C@@H](CNC(=O)c1onc2c1CCCC2)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575069427 951643873 /nfs/dbraw/zinc/64/38/73/951643873.db2.gz ISHNAKADGRGJOQ-SNVBAGLBSA-N -1 1 383.416 1.002 20 0 GDADMM C[C@@H](CNC(=O)c1onc2c1CCCC2)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575069427 951643876 /nfs/dbraw/zinc/64/38/76/951643876.db2.gz ISHNAKADGRGJOQ-SNVBAGLBSA-N -1 1 383.416 1.002 20 0 GDADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)Cc1cncs1)C1CC1 ZINC001575123515 952013353 /nfs/dbraw/zinc/01/33/53/952013353.db2.gz ACFIILHGTMHSMV-INIZCTEOSA-N -1 1 385.457 1.053 20 0 GDADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)Cc1cncs1)C1CC1 ZINC001575123515 952013363 /nfs/dbraw/zinc/01/33/63/952013363.db2.gz ACFIILHGTMHSMV-INIZCTEOSA-N -1 1 385.457 1.053 20 0 GDADMM C[C@](CNc1ccc(-c2nn[nH]n2)cn1)(NC(=O)c1ncccc1[O-])C1CC1 ZINC001575124564 952032991 /nfs/dbraw/zinc/03/29/91/952032991.db2.gz UKNBEOSAXZIBHL-GOSISDBHSA-N -1 1 380.412 1.373 20 0 GDADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)c1cccc(F)c1)C1CC1 ZINC001575128620 952071370 /nfs/dbraw/zinc/07/13/70/952071370.db2.gz KKKZCLILEARLDK-GOSISDBHSA-N -1 1 382.403 1.806 20 0 GDADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)c1cccc(F)c1)C1CC1 ZINC001575128620 952071380 /nfs/dbraw/zinc/07/13/80/952071380.db2.gz KKKZCLILEARLDK-GOSISDBHSA-N -1 1 382.403 1.806 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1csc(Cl)n1 ZINC001575133223 952102509 /nfs/dbraw/zinc/10/25/09/952102509.db2.gz CNOKQRDLQFLSKB-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1csc(Cl)n1 ZINC001575133223 952102514 /nfs/dbraw/zinc/10/25/14/952102514.db2.gz CNOKQRDLQFLSKB-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)CN(C)c1ccccc1 ZINC001575134715 952112626 /nfs/dbraw/zinc/11/26/26/952112626.db2.gz OMITZMWZOHUASH-CYBMUJFWSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)CN(C)c1ccccc1 ZINC001575134715 952112631 /nfs/dbraw/zinc/11/26/31/952112631.db2.gz OMITZMWZOHUASH-CYBMUJFWSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1nc(Cl)cs1 ZINC001575135159 952115865 /nfs/dbraw/zinc/11/58/65/952115865.db2.gz KLBFUXYKMMRDMW-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1nc(Cl)cs1 ZINC001575135159 952115871 /nfs/dbraw/zinc/11/58/71/952115871.db2.gz KLBFUXYKMMRDMW-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cccc(N(C)C)c1 ZINC001575135261 952116350 /nfs/dbraw/zinc/11/63/50/952116350.db2.gz PVNLWNRZFXERNW-GFCCVEGCSA-N -1 1 381.444 1.295 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cccc(N(C)C)c1 ZINC001575135261 952116355 /nfs/dbraw/zinc/11/63/55/952116355.db2.gz PVNLWNRZFXERNW-GFCCVEGCSA-N -1 1 381.444 1.295 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)COc1ccc(F)cc1 ZINC001575135322 952116802 /nfs/dbraw/zinc/11/68/02/952116802.db2.gz QPQQGAQFVFVTNJ-LLVKDONJSA-N -1 1 386.391 1.134 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)COc1ccc(F)cc1 ZINC001575135322 952116811 /nfs/dbraw/zinc/11/68/11/952116811.db2.gz QPQQGAQFVFVTNJ-LLVKDONJSA-N -1 1 386.391 1.134 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@H](F)Cc1ccccc1 ZINC001575135828 952121170 /nfs/dbraw/zinc/12/11/70/952121170.db2.gz SDJJMOUTDXUBLO-TZMCWYRMSA-N -1 1 384.419 1.496 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@H](F)Cc1ccccc1 ZINC001575135828 952121172 /nfs/dbraw/zinc/12/11/72/952121172.db2.gz SDJJMOUTDXUBLO-TZMCWYRMSA-N -1 1 384.419 1.496 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)Cc1ccc(F)cc1F ZINC001575136394 952125792 /nfs/dbraw/zinc/12/57/92/952125792.db2.gz VDUQPZBJNGLEMP-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)Cc1ccc(F)cc1F ZINC001575136394 952125797 /nfs/dbraw/zinc/12/57/97/952125797.db2.gz VDUQPZBJNGLEMP-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H]1CCc2cccnc21 ZINC001575136991 952132606 /nfs/dbraw/zinc/13/26/06/952132606.db2.gz YWOBQIMKIDDOGA-WCQYABFASA-N -1 1 379.428 1.041 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H]1CCc2cccnc21 ZINC001575136991 952132610 /nfs/dbraw/zinc/13/26/10/952132610.db2.gz YWOBQIMKIDDOGA-WCQYABFASA-N -1 1 379.428 1.041 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)Cn1ccc2ccccc21 ZINC001575152998 952205601 /nfs/dbraw/zinc/20/56/01/952205601.db2.gz BTVVXVMQBRKGSZ-CYBMUJFWSA-N -1 1 391.439 1.570 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)Cn1ccc2ccccc21 ZINC001575152998 952205606 /nfs/dbraw/zinc/20/56/06/952205606.db2.gz BTVVXVMQBRKGSZ-CYBMUJFWSA-N -1 1 391.439 1.570 20 0 GDADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)c1ccccc1F)C1CC1 ZINC001575153830 952212905 /nfs/dbraw/zinc/21/29/05/952212905.db2.gz LHQQOWIIZNVKRH-GOSISDBHSA-N -1 1 382.403 1.806 20 0 GDADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)c1ccccc1F)C1CC1 ZINC001575153830 952212912 /nfs/dbraw/zinc/21/29/12/952212912.db2.gz LHQQOWIIZNVKRH-GOSISDBHSA-N -1 1 382.403 1.806 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ccc(C2CC2)cn1 ZINC001575156858 952257755 /nfs/dbraw/zinc/25/77/55/952257755.db2.gz WUJMBYCLFBSSAD-NSHDSACASA-N -1 1 379.428 1.502 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ccc(C2CC2)cn1 ZINC001575156858 952257768 /nfs/dbraw/zinc/25/77/68/952257768.db2.gz WUJMBYCLFBSSAD-NSHDSACASA-N -1 1 379.428 1.502 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ccc(Cl)s1 ZINC001575156856 952258215 /nfs/dbraw/zinc/25/82/15/952258215.db2.gz WUHYXVCGFCSIFV-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ccc(Cl)s1 ZINC001575156856 952258219 /nfs/dbraw/zinc/25/82/19/952258219.db2.gz WUHYXVCGFCSIFV-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)c1ccccc1O)C1CC1 ZINC001575173944 952360427 /nfs/dbraw/zinc/36/04/27/952360427.db2.gz DCCPWZDYOPSTGA-GOSISDBHSA-N -1 1 380.412 1.373 20 0 GDADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)c1ccccc1O)C1CC1 ZINC001575173944 952360434 /nfs/dbraw/zinc/36/04/34/952360434.db2.gz DCCPWZDYOPSTGA-GOSISDBHSA-N -1 1 380.412 1.373 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@H]1Cc2ccc(F)cc21 ZINC001575174966 952381339 /nfs/dbraw/zinc/38/13/39/952381339.db2.gz UXPCNZXEODDEJL-YGRLFVJLSA-N -1 1 382.403 1.395 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@H]1Cc2ccc(F)cc21 ZINC001575174966 952381345 /nfs/dbraw/zinc/38/13/45/952381345.db2.gz UXPCNZXEODDEJL-YGRLFVJLSA-N -1 1 382.403 1.395 20 0 GDADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)[C@H]1CCCC12CC2)C1CC1 ZINC001575175589 952386287 /nfs/dbraw/zinc/38/62/87/952386287.db2.gz WYKAZLIUPJSODK-FZKQIMNGSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)[C@H]1CCCC12CC2)C1CC1 ZINC001575175589 952386292 /nfs/dbraw/zinc/38/62/92/952386292.db2.gz WYKAZLIUPJSODK-FZKQIMNGSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001575177234 952399210 /nfs/dbraw/zinc/39/92/10/952399210.db2.gz HLFMTMBUNYAIEB-HXFLIBJXSA-N -1 1 383.865 1.128 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001575177234 952399214 /nfs/dbraw/zinc/39/92/14/952399214.db2.gz HLFMTMBUNYAIEB-HXFLIBJXSA-N -1 1 383.865 1.128 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)c1cncn1C ZINC001575177583 952400766 /nfs/dbraw/zinc/40/07/66/952400766.db2.gz IJRFPUJKOVNPEO-SSDOTTSWSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)c1cncn1C ZINC001575177583 952400769 /nfs/dbraw/zinc/40/07/69/952400769.db2.gz IJRFPUJKOVNPEO-SSDOTTSWSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)Cc1ccc(F)c(F)c1 ZINC001575178767 952407515 /nfs/dbraw/zinc/40/75/15/952407515.db2.gz MSSXFWKLTMUCCC-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)Cc1ccc(F)c(F)c1 ZINC001575178767 952407517 /nfs/dbraw/zinc/40/75/17/952407517.db2.gz MSSXFWKLTMUCCC-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)c1ccn(C)c1 ZINC001575180902 952420344 /nfs/dbraw/zinc/42/03/44/952420344.db2.gz XLJUBMKPHWKOET-QMMMGPOBSA-N -1 1 380.865 1.888 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)c1ccn(C)c1 ZINC001575180902 952420348 /nfs/dbraw/zinc/42/03/48/952420348.db2.gz XLJUBMKPHWKOET-QMMMGPOBSA-N -1 1 380.865 1.888 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575188089 952446220 /nfs/dbraw/zinc/44/62/20/952446220.db2.gz HIUVRBHPUZHMRT-QWHCGFSZSA-N -1 1 382.428 1.166 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575188089 952446224 /nfs/dbraw/zinc/44/62/24/952446224.db2.gz HIUVRBHPUZHMRT-QWHCGFSZSA-N -1 1 382.428 1.166 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H](C)Cc1ccc(F)cc1 ZINC001575190574 952462361 /nfs/dbraw/zinc/46/23/61/952462361.db2.gz UKMQBPUXWGZBJP-VXGBXAGGSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H](C)Cc1ccc(F)cc1 ZINC001575190574 952462367 /nfs/dbraw/zinc/46/23/67/952462367.db2.gz UKMQBPUXWGZBJP-VXGBXAGGSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@@](O)(CNC(=O)Nc1cccc(-c2nnn[n-]2)n1)c1ccc(F)cc1F ZINC001571115550 952467769 /nfs/dbraw/zinc/46/77/69/952467769.db2.gz XYUDXVBQCYCOQM-MRXNPFEDSA-N -1 1 375.339 1.569 20 0 GDADMM C[C@@](O)(CNC(=O)Nc1cccc(-c2nn[n-]n2)n1)c1ccc(F)cc1F ZINC001571115550 952467774 /nfs/dbraw/zinc/46/77/74/952467774.db2.gz XYUDXVBQCYCOQM-MRXNPFEDSA-N -1 1 375.339 1.569 20 0 GDADMM COc1ccc([C@H](O)CNC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)cc1 ZINC001571115774 952470181 /nfs/dbraw/zinc/47/01/81/952470181.db2.gz ZLEBPMRTFNYXDZ-CQSZACIVSA-N -1 1 375.335 1.617 20 0 GDADMM COc1ccc([C@H](O)CNC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)cc1 ZINC001571115774 952470186 /nfs/dbraw/zinc/47/01/86/952470186.db2.gz ZLEBPMRTFNYXDZ-CQSZACIVSA-N -1 1 375.335 1.617 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575196261 952475769 /nfs/dbraw/zinc/47/57/69/952475769.db2.gz GNUVWGGKRPXAIM-SGTLLEGYSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575196261 952475772 /nfs/dbraw/zinc/47/57/72/952475772.db2.gz GNUVWGGKRPXAIM-SGTLLEGYSA-N -1 1 382.428 1.214 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H]2CCC[C@@H](C(C)(C)C)CC2)n(C)c1=O ZINC001571116673 952477221 /nfs/dbraw/zinc/47/72/21/952477221.db2.gz BYXFUIFIUPZZES-NEPJUHHUSA-N -1 1 375.477 1.671 20 0 GDADMM Cc1nc(-c2nn[n-]n2)c(N2CCC(C(=O)N[C@H]3CCOC3(C)C)CC2)o1 ZINC001571116796 952477335 /nfs/dbraw/zinc/47/73/35/952477335.db2.gz CLKSINOCMLLHHY-LBPRGKRZSA-N -1 1 375.433 1.063 20 0 GDADMM CC(C)[C@H](CNC(=O)[C@H](C)Cc1ccco1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575196922 952478156 /nfs/dbraw/zinc/47/81/56/952478156.db2.gz LDSQNMFNWIDNMD-DOMZBBRYSA-N -1 1 384.444 1.681 20 0 GDADMM CC(C)[C@H](CNC(=O)[C@H](C)Cc1ccco1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575196922 952478159 /nfs/dbraw/zinc/47/81/59/952478159.db2.gz LDSQNMFNWIDNMD-DOMZBBRYSA-N -1 1 384.444 1.681 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575197446 952484833 /nfs/dbraw/zinc/48/48/33/952484833.db2.gz WCLMPRBUCJPYQD-PNESKVBLSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575197446 952484838 /nfs/dbraw/zinc/48/48/38/952484838.db2.gz WCLMPRBUCJPYQD-PNESKVBLSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575197584 952485816 /nfs/dbraw/zinc/48/58/16/952485816.db2.gz XFESIHHZIJUCHB-OLZOCXBDSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575197584 952485819 /nfs/dbraw/zinc/48/58/19/952485819.db2.gz XFESIHHZIJUCHB-OLZOCXBDSA-N -1 1 382.428 1.214 20 0 GDADMM O=C(N[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1)c1ccccc1 ZINC001571120148 952500368 /nfs/dbraw/zinc/50/03/68/952500368.db2.gz ICVDJYGBLPOVLY-SNVBAGLBSA-N -1 1 375.845 1.985 20 0 GDADMM O=C(N[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1)c1ccccc1 ZINC001571120148 952500370 /nfs/dbraw/zinc/50/03/70/952500370.db2.gz ICVDJYGBLPOVLY-SNVBAGLBSA-N -1 1 375.845 1.985 20 0 GDADMM Cc1ccccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571120912 952511952 /nfs/dbraw/zinc/51/19/52/952511952.db2.gz TZUSEZMDSKIRNF-WQVCFCJDSA-N -1 1 376.424 1.505 20 0 GDADMM Cc1ccccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571120912 952511956 /nfs/dbraw/zinc/51/19/56/952511956.db2.gz TZUSEZMDSKIRNF-WQVCFCJDSA-N -1 1 376.424 1.505 20 0 GDADMM CC[C@@H]1CCO[C@@H]1C(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571122245 952523169 /nfs/dbraw/zinc/52/31/69/952523169.db2.gz HOOARXISEOGVEH-ABAIWWIYSA-N -1 1 376.486 1.386 20 0 GDADMM O=C(c1ccccc1)N1C[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571121934 952523306 /nfs/dbraw/zinc/52/33/06/952523306.db2.gz FLZVPESUAAGLDX-CABCVRRESA-N -1 1 376.424 1.255 20 0 GDADMM O=C(c1ccncc1)N1CC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571121962 952523381 /nfs/dbraw/zinc/52/33/81/952523381.db2.gz GKAXVEDPDLQBCC-VIFPVBQESA-N -1 1 376.833 1.698 20 0 GDADMM O=C(c1ccncc1)N1CC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571121962 952523384 /nfs/dbraw/zinc/52/33/84/952523384.db2.gz GKAXVEDPDLQBCC-VIFPVBQESA-N -1 1 376.833 1.698 20 0 GDADMM O=C(N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1csc(Cl)c1 ZINC001571124096 952534107 /nfs/dbraw/zinc/53/41/07/952534107.db2.gz YTOMUGQVKWPXAK-VIFPVBQESA-N -1 1 376.833 1.380 20 0 GDADMM O=C(N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1csc(Cl)c1 ZINC001571124096 952534109 /nfs/dbraw/zinc/53/41/09/952534109.db2.gz YTOMUGQVKWPXAK-VIFPVBQESA-N -1 1 376.833 1.380 20 0 GDADMM O=C(c1ccccc1)N1CCC[C@@H]2[C@@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001571124163 952535321 /nfs/dbraw/zinc/53/53/21/952535321.db2.gz ZVMOLFLEGKVDBU-CVEARBPZSA-N -1 1 376.424 1.540 20 0 GDADMM O=C(c1ccccc1)N1CCC[C@@H]2[C@@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001571124163 952535322 /nfs/dbraw/zinc/53/53/22/952535322.db2.gz ZVMOLFLEGKVDBU-CVEARBPZSA-N -1 1 376.424 1.540 20 0 GDADMM CC(C)CC(=O)N1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001571127184 952551363 /nfs/dbraw/zinc/55/13/63/952551363.db2.gz AVJREXVQCCZYBV-UHFFFAOYSA-N -1 1 377.474 1.328 20 0 GDADMM Cc1nsc(NC[C@@H]2CN(C(=O)C3(C)CC3)CCCO2)c1-c1nn[n-]n1 ZINC001571127387 952553715 /nfs/dbraw/zinc/55/37/15/952553715.db2.gz GCYZWWHOHQLWDC-LLVKDONJSA-N -1 1 377.474 1.461 20 0 GDADMM CO[C@H](C(=O)N1CCC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1)C1CC1 ZINC001571127371 952553808 /nfs/dbraw/zinc/55/38/08/952553808.db2.gz FOERHNIQUHUYBZ-YPMHNXCESA-N -1 1 377.474 1.460 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575213691 952560283 /nfs/dbraw/zinc/56/02/83/952560283.db2.gz FYSFVFKCYUZTJQ-MGCOHNPYSA-N -1 1 380.403 1.645 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575213691 952560285 /nfs/dbraw/zinc/56/02/85/952560285.db2.gz FYSFVFKCYUZTJQ-MGCOHNPYSA-N -1 1 380.403 1.645 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575215855 952568972 /nfs/dbraw/zinc/56/89/72/952568972.db2.gz XFKAOJIEXPLZIX-SNVBAGLBSA-N -1 1 380.403 1.599 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575215855 952568975 /nfs/dbraw/zinc/56/89/75/952568975.db2.gz XFKAOJIEXPLZIX-SNVBAGLBSA-N -1 1 380.403 1.599 20 0 GDADMM Cc1nsc(NC[C@H]2CN(C(=O)C3CCCC3)CCO2)c1-c1nn[n-]n1 ZINC001571128702 952569542 /nfs/dbraw/zinc/56/95/42/952569542.db2.gz WSDYGJAIERZZOC-LBPRGKRZSA-N -1 1 377.474 1.461 20 0 GDADMM CN(C(=O)C1CC(F)(F)C1)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571129238 952574546 /nfs/dbraw/zinc/57/45/46/952574546.db2.gz BNYOKJDEACKHKH-UHFFFAOYSA-N -1 1 378.387 1.129 20 0 GDADMM CN(C(=O)C1CC(F)(F)C1)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571129238 952574548 /nfs/dbraw/zinc/57/45/48/952574548.db2.gz BNYOKJDEACKHKH-UHFFFAOYSA-N -1 1 378.387 1.129 20 0 GDADMM CC1(C)CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)[C@@H]1CCC1(F)F ZINC001571129499 952575146 /nfs/dbraw/zinc/57/51/46/952575146.db2.gz FEPLXNCBWUXMLY-VHSXEESVSA-N -1 1 378.387 1.033 20 0 GDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N(C)Cc1ncc(Br)cn1 ZINC001571129955 952577801 /nfs/dbraw/zinc/57/78/01/952577801.db2.gz LSUGEZUEXRTQLG-UHFFFAOYSA-N -1 1 378.190 1.593 20 0 GDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N(C)Cc1ncc(Br)cn1 ZINC001571129955 952577806 /nfs/dbraw/zinc/57/78/06/952577806.db2.gz LSUGEZUEXRTQLG-UHFFFAOYSA-N -1 1 378.190 1.593 20 0 GDADMM CN(C(=O)[C@@H]1CC1(F)F)C1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571130248 952579616 /nfs/dbraw/zinc/57/96/16/952579616.db2.gz QWMWQQMDXZOFOV-ILDUYXDCSA-N -1 1 378.387 1.493 20 0 GDADMM CN(C(=O)[C@@H]1CC1(F)F)C1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571130248 952579618 /nfs/dbraw/zinc/57/96/18/952579618.db2.gz QWMWQQMDXZOFOV-ILDUYXDCSA-N -1 1 378.387 1.493 20 0 GDADMM O=C([C@@H]1CCCCC1(F)F)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571130737 952581857 /nfs/dbraw/zinc/58/18/57/952581857.db2.gz VYVICHHSBNCNSJ-NSHDSACASA-N -1 1 378.387 1.131 20 0 GDADMM O=C([C@@H]1CCCCC1(F)F)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571130737 952581859 /nfs/dbraw/zinc/58/18/59/952581859.db2.gz VYVICHHSBNCNSJ-NSHDSACASA-N -1 1 378.387 1.131 20 0 GDADMM Cc1ccc(C(=O)N2C[C@H](C)[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001571133953 952584220 /nfs/dbraw/zinc/58/42/20/952584220.db2.gz ABCDTZSOCMRJGG-DZGCQCFKSA-N -1 1 378.440 1.785 20 0 GDADMM Cc1ccc(C(=O)N2C[C@H](C)[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571133953 952584224 /nfs/dbraw/zinc/58/42/24/952584224.db2.gz ABCDTZSOCMRJGG-DZGCQCFKSA-N -1 1 378.440 1.785 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)[C@H]2C)cc1 ZINC001571134210 952587336 /nfs/dbraw/zinc/58/73/36/952587336.db2.gz GEQVXMAZGODICT-ZFWWWQNUSA-N -1 1 378.440 1.752 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)[C@H]2C)cc1 ZINC001571134210 952587340 /nfs/dbraw/zinc/58/73/40/952587340.db2.gz GEQVXMAZGODICT-ZFWWWQNUSA-N -1 1 378.440 1.752 20 0 GDADMM CCCc1ccccc1C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571134228 952587661 /nfs/dbraw/zinc/58/76/61/952587661.db2.gz CHYSIUOOMZMNQC-HDJSIYSDSA-N -1 1 378.440 1.982 20 0 GDADMM CCCc1ccccc1C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571134228 952587665 /nfs/dbraw/zinc/58/76/65/952587665.db2.gz CHYSIUOOMZMNQC-HDJSIYSDSA-N -1 1 378.440 1.982 20 0 GDADMM Cc1cccc(C(=O)N[C@@H]2CCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571134378 952589901 /nfs/dbraw/zinc/58/99/01/952589901.db2.gz HVSHEOVYUOWKKP-HUUCEWRRSA-N -1 1 378.440 1.540 20 0 GDADMM Cc1ccccc1C(=O)N1C[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001571135033 952598400 /nfs/dbraw/zinc/59/84/00/952598400.db2.gz QKBISKQRTZZEHE-ZIAGYGMSSA-N -1 1 378.440 1.207 20 0 GDADMM Cc1ccc(C)c(C(=O)N2CCC[C@H]2CNc2nccnc2-c2nnn[n-]2)c1 ZINC001571135372 952602222 /nfs/dbraw/zinc/60/22/22/952602222.db2.gz WCSFDTPHOYAGFW-AWEZNQCLSA-N -1 1 378.440 1.990 20 0 GDADMM Cc1ccc(C)c(C(=O)N2CCC[C@H]2CNc2nccnc2-c2nn[n-]n2)c1 ZINC001571135372 952602227 /nfs/dbraw/zinc/60/22/27/952602227.db2.gz WCSFDTPHOYAGFW-AWEZNQCLSA-N -1 1 378.440 1.990 20 0 GDADMM Cc1ccc(C(=O)N2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C[C@H]2C)c(C)c1 ZINC001571135342 952602485 /nfs/dbraw/zinc/60/24/85/952602485.db2.gz VZVYJFZNIGOSPT-KGLIPLIRSA-N -1 1 378.440 1.989 20 0 GDADMM Cc1ccc(C(=O)N2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C[C@H]2C)c(C)c1 ZINC001571135342 952602489 /nfs/dbraw/zinc/60/24/89/952602489.db2.gz VZVYJFZNIGOSPT-KGLIPLIRSA-N -1 1 378.440 1.989 20 0 GDADMM Cc1cccc([C@H](C)C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571135523 952604696 /nfs/dbraw/zinc/60/46/96/952604696.db2.gz ZVJLZKDFTILXLO-ZFWWWQNUSA-N -1 1 378.440 1.464 20 0 GDADMM Cc1cccc([C@H](C)C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571135523 952604699 /nfs/dbraw/zinc/60/46/99/952604699.db2.gz ZVJLZKDFTILXLO-ZFWWWQNUSA-N -1 1 378.440 1.464 20 0 GDADMM Cc1cc(C)c(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)c(C)c1 ZINC001571135540 952605858 /nfs/dbraw/zinc/60/58/58/952605858.db2.gz WGAZWIUGLZODRH-CQSZACIVSA-N -1 1 378.440 1.909 20 0 GDADMM Cc1cc(C)c(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)c(C)c1 ZINC001571135540 952605863 /nfs/dbraw/zinc/60/58/63/952605863.db2.gz WGAZWIUGLZODRH-CQSZACIVSA-N -1 1 378.440 1.909 20 0 GDADMM C[C@H](NC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1)c1nccc(N)n1 ZINC001571141641 952635089 /nfs/dbraw/zinc/63/50/89/952635089.db2.gz XZYUFCUCIRATPK-LURJTMIESA-N -1 1 379.306 1.144 20 0 GDADMM O=C(CCc1ccccn1)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571146590 952650250 /nfs/dbraw/zinc/65/02/50/952650250.db2.gz JJLNPPYNYVBSCC-AWEZNQCLSA-N -1 1 379.428 1.087 20 0 GDADMM O=C(CCc1ccccn1)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571146590 952650253 /nfs/dbraw/zinc/65/02/53/952650253.db2.gz JJLNPPYNYVBSCC-AWEZNQCLSA-N -1 1 379.428 1.087 20 0 GDADMM O=C(Cc1cccnc1)N1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571146642 952651608 /nfs/dbraw/zinc/65/16/08/952651608.db2.gz KQSKUEYRKKTUCD-CQSZACIVSA-N -1 1 379.428 1.087 20 0 GDADMM O=C(Cc1cccnc1)N1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571146642 952651609 /nfs/dbraw/zinc/65/16/09/952651609.db2.gz KQSKUEYRKKTUCD-CQSZACIVSA-N -1 1 379.428 1.087 20 0 GDADMM O=C(c1ccc[nH]1)N1C[C@@H]2CCC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@H]2C1 ZINC001571146710 952652233 /nfs/dbraw/zinc/65/22/33/952652233.db2.gz LTGZKWPBSVCVNB-AVGNSLFASA-N -1 1 379.428 1.338 20 0 GDADMM O=C(c1ccc[nH]1)N1C[C@@H]2CCC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@H]2C1 ZINC001571146710 952652235 /nfs/dbraw/zinc/65/22/35/952652235.db2.gz LTGZKWPBSVCVNB-AVGNSLFASA-N -1 1 379.428 1.338 20 0 GDADMM O=C(c1cc2c([nH]1)CCC2)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571146754 952652574 /nfs/dbraw/zinc/65/25/74/952652574.db2.gz MTFNSULKWNQEIQ-LLVKDONJSA-N -1 1 379.428 1.048 20 0 GDADMM O=C(c1cc2c([nH]1)CCC2)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571146754 952652577 /nfs/dbraw/zinc/65/25/77/952652577.db2.gz MTFNSULKWNQEIQ-LLVKDONJSA-N -1 1 379.428 1.048 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cccnc1 ZINC001571146939 952654402 /nfs/dbraw/zinc/65/44/02/952654402.db2.gz DFVLQKPXXDWHPS-TZMCWYRMSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cccnc1 ZINC001571146939 952654405 /nfs/dbraw/zinc/65/44/05/952654405.db2.gz DFVLQKPXXDWHPS-TZMCWYRMSA-N -1 1 379.428 1.258 20 0 GDADMM Cc1cnccc1C(=O)NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571147212 952659046 /nfs/dbraw/zinc/65/90/46/952659046.db2.gz TUSUELMKYKOHFC-UHFFFAOYSA-N -1 1 379.428 1.007 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@]3(CCN(C(=O)c4cc[nH]c4)C3)C2)n1 ZINC001571147386 952660708 /nfs/dbraw/zinc/66/07/08/952660708.db2.gz LTLQTXACODVMAI-GOSISDBHSA-N -1 1 379.428 1.036 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@]3(CCN(C(=O)c4cc[nH]c4)C3)C2)n1 ZINC001571147386 952660711 /nfs/dbraw/zinc/66/07/11/952660711.db2.gz LTLQTXACODVMAI-GOSISDBHSA-N -1 1 379.428 1.036 20 0 GDADMM CCc1cncc(C(=O)NC[C@H]2C[C@H](Nc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571147505 952662547 /nfs/dbraw/zinc/66/25/47/952662547.db2.gz MJWDKVIDQXLXRR-MQMHXKEQSA-N -1 1 379.428 1.235 20 0 GDADMM CCc1cncc(C(=O)NC[C@H]2C[C@H](Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571147505 952662550 /nfs/dbraw/zinc/66/25/50/952662550.db2.gz MJWDKVIDQXLXRR-MQMHXKEQSA-N -1 1 379.428 1.235 20 0 GDADMM CCc1cccc(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571147953 952664219 /nfs/dbraw/zinc/66/42/19/952664219.db2.gz SAGGZEUGJPBRMH-CYBMUJFWSA-N -1 1 379.428 1.013 20 0 GDADMM CCc1cccc(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571147953 952664223 /nfs/dbraw/zinc/66/42/23/952664223.db2.gz SAGGZEUGJPBRMH-CYBMUJFWSA-N -1 1 379.428 1.013 20 0 GDADMM Cc1nc[nH]c1C(=O)N[C@@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571152249 952682241 /nfs/dbraw/zinc/68/22/41/952682241.db2.gz GBLXZOSSGLCYMX-SSDOTTSWSA-N -1 1 379.837 1.017 20 0 GDADMM Cc1nc[nH]c1C(=O)N[C@@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571152249 952682244 /nfs/dbraw/zinc/68/22/44/952682244.db2.gz GBLXZOSSGLCYMX-SSDOTTSWSA-N -1 1 379.837 1.017 20 0 GDADMM COCc1ccnc(NC(=O)c2cnc(C(F)(F)F)c(-c3nn[n-]n3)c2)n1 ZINC001571152224 952682254 /nfs/dbraw/zinc/68/22/54/952682254.db2.gz FBCJSPOBLNUPJC-UHFFFAOYSA-N -1 1 380.290 1.469 20 0 GDADMM Cc1nc(NCc2nnc3n2CC[C@@H](C(F)(F)F)C3)cc(-c2nnn[n-]2)n1 ZINC001571152612 952683186 /nfs/dbraw/zinc/68/31/86/952683186.db2.gz HNNWFQADXYLLEV-MRVPVSSYSA-N -1 1 380.338 1.293 20 0 GDADMM Cc1nc(NCc2nnc3n2CC[C@@H](C(F)(F)F)C3)cc(-c2nn[n-]n2)n1 ZINC001571152612 952683189 /nfs/dbraw/zinc/68/31/89/952683189.db2.gz HNNWFQADXYLLEV-MRVPVSSYSA-N -1 1 380.338 1.293 20 0 GDADMM CC[C@@H](OC)C(=O)N1CCC[C@@H](N(C)c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571152627 952683307 /nfs/dbraw/zinc/68/33/07/952683307.db2.gz IDMOYVMJQFRSEL-VXGBXAGGSA-N -1 1 379.490 1.484 20 0 GDADMM Cc1n[nH]cc1C(=O)N[C@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571153348 952686213 /nfs/dbraw/zinc/68/62/13/952686213.db2.gz PBBSHKQABQXSSH-ZETCQYMHSA-N -1 1 379.837 1.017 20 0 GDADMM O=C(C1CC2(CC2)C1)N1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001571153907 952688758 /nfs/dbraw/zinc/68/87/58/952688758.db2.gz VCZFTYNXDGARTK-UHFFFAOYSA-N -1 1 379.877 1.815 20 0 GDADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@H]1CCN(C(=O)c2ccoc2C2CC2)C1 ZINC001571155132 952692292 /nfs/dbraw/zinc/69/22/92/952692292.db2.gz IRIFSSUOVMFFFN-LBPRGKRZSA-N -1 1 380.412 1.478 20 0 GDADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@H]1CCN(C(=O)c2ccoc2C2CC2)C1 ZINC001571155132 952692295 /nfs/dbraw/zinc/69/22/95/952692295.db2.gz IRIFSSUOVMFFFN-LBPRGKRZSA-N -1 1 380.412 1.478 20 0 GDADMM C[C@]1(NC(=O)c2ccoc2C2CC2)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571155488 952698004 /nfs/dbraw/zinc/69/80/04/952698004.db2.gz UJELRLWNCWARKA-SFHVURJKSA-N -1 1 380.412 1.526 20 0 GDADMM C[C@]1(NC(=O)c2ccoc2C2CC2)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571155488 952698007 /nfs/dbraw/zinc/69/80/07/952698007.db2.gz UJELRLWNCWARKA-SFHVURJKSA-N -1 1 380.412 1.526 20 0 GDADMM Cc1ccncc1C(=O)N1CCC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571156006 952699704 /nfs/dbraw/zinc/69/97/04/952699704.db2.gz AQKBVAVQAZDQBJ-ZDUSSCGKSA-N -1 1 379.428 1.101 20 0 GDADMM Cc1cc(C)nc(C(=O)NC[C@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)c1 ZINC001571156746 952704872 /nfs/dbraw/zinc/70/48/72/952704872.db2.gz ISQIJQBHIWQIHK-CYBMUJFWSA-N -1 1 379.428 1.067 20 0 GDADMM Cc1cc(C)nc(C(=O)NC[C@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)c1 ZINC001571156746 952704874 /nfs/dbraw/zinc/70/48/74/952704874.db2.gz ISQIJQBHIWQIHK-CYBMUJFWSA-N -1 1 379.428 1.067 20 0 GDADMM Cc1cnccc1C(=O)N1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571156808 952706174 /nfs/dbraw/zinc/70/61/74/952706174.db2.gz KINBIQIRTBBLMD-ZDUSSCGKSA-N -1 1 379.428 1.467 20 0 GDADMM Cc1cnccc1C(=O)N1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571156808 952706178 /nfs/dbraw/zinc/70/61/78/952706178.db2.gz KINBIQIRTBBLMD-ZDUSSCGKSA-N -1 1 379.428 1.467 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CC[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001571157085 952706233 /nfs/dbraw/zinc/70/62/33/952706233.db2.gz MIXLUQWEUWAKEQ-OCCSQVGLSA-N -1 1 379.428 1.371 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CC[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571157085 952706235 /nfs/dbraw/zinc/70/62/35/952706235.db2.gz MIXLUQWEUWAKEQ-OCCSQVGLSA-N -1 1 379.428 1.371 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)[C@H](C)C2)cn1 ZINC001571157209 952706716 /nfs/dbraw/zinc/70/67/16/952706716.db2.gz NMSTZFHVXBKKCJ-BXUZGUMPSA-N -1 1 379.428 1.323 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)[C@H](C)C2)cn1 ZINC001571157209 952706720 /nfs/dbraw/zinc/70/67/20/952706720.db2.gz NMSTZFHVXBKKCJ-BXUZGUMPSA-N -1 1 379.428 1.323 20 0 GDADMM Cc1cccc(OCC(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571158742 952714662 /nfs/dbraw/zinc/71/46/62/952714662.db2.gz NUXJSXXVKBWARY-ZDUSSCGKSA-N -1 1 380.412 1.057 20 0 GDADMM Cc1cccc(OCC(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571158742 952714666 /nfs/dbraw/zinc/71/46/66/952714666.db2.gz NUXJSXXVKBWARY-ZDUSSCGKSA-N -1 1 380.412 1.057 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@@H](NC(=O)c3occ4c3CCC4)C2)n1 ZINC001571159510 952720025 /nfs/dbraw/zinc/72/00/25/952720025.db2.gz XBMDVCINWNJHEJ-TXEJJXNPSA-N -1 1 380.412 1.420 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@@H](NC(=O)c3occ4c3CCC4)C2)n1 ZINC001571159510 952720031 /nfs/dbraw/zinc/72/00/31/952720031.db2.gz XBMDVCINWNJHEJ-TXEJJXNPSA-N -1 1 380.412 1.420 20 0 GDADMM Cc1cnc(C(=O)NCC2CC(Nc3cncc(-c4nnn[n-]4)n3)C2)cc1C ZINC001571159795 952721737 /nfs/dbraw/zinc/72/17/37/952721737.db2.gz WYQRFGWQCUZHHL-UHFFFAOYSA-N -1 1 379.428 1.289 20 0 GDADMM Cc1cnc(C(=O)NCC2CC(Nc3cncc(-c4nn[n-]n4)n3)C2)cc1C ZINC001571159795 952721741 /nfs/dbraw/zinc/72/17/41/952721741.db2.gz WYQRFGWQCUZHHL-UHFFFAOYSA-N -1 1 379.428 1.289 20 0 GDADMM Cc1ccc(C(=O)N2C[C@H]3CCN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]3C2)o1 ZINC001571159749 952722045 /nfs/dbraw/zinc/72/20/45/952722045.db2.gz ZSOPQFWFPMBFIT-OLZOCXBDSA-N -1 1 380.412 1.157 20 0 GDADMM O=C(COc1ccccc1)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571160015 952723266 /nfs/dbraw/zinc/72/32/66/952723266.db2.gz AQLFNKYNWJORGL-UHFFFAOYSA-N -1 1 380.412 1.139 20 0 GDADMM O=C(COc1ccccc1)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571160015 952723268 /nfs/dbraw/zinc/72/32/68/952723268.db2.gz AQLFNKYNWJORGL-UHFFFAOYSA-N -1 1 380.412 1.139 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)c3cc(C)c(C)cn3)C2)n1 ZINC001571160280 952724760 /nfs/dbraw/zinc/72/47/60/952724760.db2.gz XWMFTZJMYCBNCL-ZDUSSCGKSA-N -1 1 379.428 1.304 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)c3cc(C)c(C)cn3)C2)n1 ZINC001571160280 952724763 /nfs/dbraw/zinc/72/47/63/952724763.db2.gz XWMFTZJMYCBNCL-ZDUSSCGKSA-N -1 1 379.428 1.304 20 0 GDADMM Cc1cocc1C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2 ZINC001571161280 952731550 /nfs/dbraw/zinc/73/15/50/952731550.db2.gz UEAMOKIBFNCSBR-STQMWFEESA-N -1 1 380.412 1.133 20 0 GDADMM C[C@]12CN(C(=O)[C@]34C[C@H]3CCC4)C[C@H]1CN(c1nccnc1-c1nnn[n-]1)C2 ZINC001571169404 952773281 /nfs/dbraw/zinc/77/32/81/952773281.db2.gz BODHWBRFJNAVOU-UDORUHSDSA-N -1 1 380.456 1.132 20 0 GDADMM C[C@]12CN(C(=O)[C@]34C[C@H]3CCC4)C[C@H]1CN(c1nccnc1-c1nn[n-]n1)C2 ZINC001571169404 952773286 /nfs/dbraw/zinc/77/32/86/952773286.db2.gz BODHWBRFJNAVOU-UDORUHSDSA-N -1 1 380.456 1.132 20 0 GDADMM C[C@@H]1CN(C(=O)c2ocnc2C2CC2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571170683 952788202 /nfs/dbraw/zinc/78/82/02/952788202.db2.gz KOMGZSCKHDIDAL-SKDRFNHKSA-N -1 1 381.400 1.095 20 0 GDADMM C[C@@H]1CN(C(=O)c2ocnc2C2CC2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571170683 952788203 /nfs/dbraw/zinc/78/82/03/952788203.db2.gz KOMGZSCKHDIDAL-SKDRFNHKSA-N -1 1 381.400 1.095 20 0 GDADMM O=C([C@@H]1CC12CC2)N1CCC2(C1)CCN(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001571172201 952803054 /nfs/dbraw/zinc/80/30/54/952803054.db2.gz PBBHQNSOANSXKJ-ZDUSSCGKSA-N -1 1 380.456 1.276 20 0 GDADMM O=C([C@@H]1CC12CC2)N1CCC2(C1)CCN(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001571172201 952803066 /nfs/dbraw/zinc/80/30/66/952803066.db2.gz PBBHQNSOANSXKJ-ZDUSSCGKSA-N -1 1 380.456 1.276 20 0 GDADMM COCc1nnc2n1CCN(c1cc(C(F)(F)F)cc(-c3nnn[n-]3)n1)C2 ZINC001571172399 952806482 /nfs/dbraw/zinc/80/64/82/952806482.db2.gz UZWYPFBLOZKEMW-UHFFFAOYSA-N -1 1 381.322 1.039 20 0 GDADMM COCc1nnc2n1CCN(c1cc(C(F)(F)F)cc(-c3nn[n-]n3)n1)C2 ZINC001571172399 952806487 /nfs/dbraw/zinc/80/64/87/952806487.db2.gz UZWYPFBLOZKEMW-UHFFFAOYSA-N -1 1 381.322 1.039 20 0 GDADMM Cc1cc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)c(C)n1[C@H]1CCCOC1 ZINC001571179492 952853527 /nfs/dbraw/zinc/85/35/27/952853527.db2.gz FEWLEUGEJMCVKA-HNNXBMFYSA-N -1 1 381.440 1.962 20 0 GDADMM Cc1cc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)c(C)n1[C@H]1CCCOC1 ZINC001571179492 952853533 /nfs/dbraw/zinc/85/35/33/952853533.db2.gz FEWLEUGEJMCVKA-HNNXBMFYSA-N -1 1 381.440 1.962 20 0 GDADMM COc1cc(OC)cc(S(=O)(=O)NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC001571183091 952872803 /nfs/dbraw/zinc/87/28/03/952872803.db2.gz ODWZFZIYEPCOGZ-UHFFFAOYSA-N -1 1 381.439 1.424 20 0 GDADMM CC[C@H]1CN(C(=O)c2cc[nH]c2C)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571184022 952886876 /nfs/dbraw/zinc/88/68/76/952886876.db2.gz OOQWVJSHZHZYAM-JSGCOSHPSA-N -1 1 381.444 1.068 20 0 GDADMM CCc1nc(NCC[C@H]2CCN(C(=O)c3cc[nH]c3)C2)cc(-c2nnn[n-]2)n1 ZINC001571184233 952889411 /nfs/dbraw/zinc/88/94/11/952889411.db2.gz UJVFWYVSTJNDJU-LBPRGKRZSA-N -1 1 381.444 1.512 20 0 GDADMM CCc1nc(NCC[C@H]2CCN(C(=O)c3cc[nH]c3)C2)cc(-c2nn[n-]n2)n1 ZINC001571184233 952889415 /nfs/dbraw/zinc/88/94/15/952889415.db2.gz UJVFWYVSTJNDJU-LBPRGKRZSA-N -1 1 381.444 1.512 20 0 GDADMM CCc1nc(NC[C@@H]2CCC[C@H]2NC(=O)c2ccc[nH]2)cc(-c2nnn[n-]2)n1 ZINC001571184467 952894218 /nfs/dbraw/zinc/89/42/18/952894218.db2.gz ZZLIGZVKGVONGO-NWDGAFQWSA-N -1 1 381.444 1.558 20 0 GDADMM CCc1nc(NC[C@@H]2CCC[C@H]2NC(=O)c2ccc[nH]2)cc(-c2nn[n-]n2)n1 ZINC001571184467 952894224 /nfs/dbraw/zinc/89/42/24/952894224.db2.gz ZZLIGZVKGVONGO-NWDGAFQWSA-N -1 1 381.444 1.558 20 0 GDADMM Cc1cc(C)c(C(=O)N2CCC[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)[nH]1 ZINC001571184630 952895749 /nfs/dbraw/zinc/89/57/49/952895749.db2.gz BTYWKXPFPGORLF-ZDUSSCGKSA-N -1 1 381.444 1.627 20 0 GDADMM Cc1cc(C)c(C(=O)N2CCC[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)[nH]1 ZINC001571184630 952895755 /nfs/dbraw/zinc/89/57/55/952895755.db2.gz BTYWKXPFPGORLF-ZDUSSCGKSA-N -1 1 381.444 1.627 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CCC[C@H](CN(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571185753 952903118 /nfs/dbraw/zinc/90/31/18/952903118.db2.gz PDZOZIYPSIISOD-CYBMUJFWSA-N -1 1 381.444 1.282 20 0 GDADMM Cc1[nH]ccc1C(=O)N[C@H]1CC[C@@H](C)N(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571186289 952906694 /nfs/dbraw/zinc/90/66/94/952906694.db2.gz VLPQKQZUSLWRMO-YPMHNXCESA-N -1 1 381.444 1.389 20 0 GDADMM Cc1[nH]ccc1C(=O)N[C@H]1CC[C@@H](C)N(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571186289 952906696 /nfs/dbraw/zinc/90/66/96/952906696.db2.gz VLPQKQZUSLWRMO-YPMHNXCESA-N -1 1 381.444 1.389 20 0 GDADMM Cc1cc(C)c(C(=O)N2CCC[C@H]2CNc2nc(C)cc(-c3nnn[n-]3)n2)[nH]1 ZINC001571186647 952908136 /nfs/dbraw/zinc/90/81/36/952908136.db2.gz ZFSCMMODFIFLSB-ZDUSSCGKSA-N -1 1 381.444 1.627 20 0 GDADMM Cc1cc(C)c(C(=O)N2CCC[C@H]2CNc2nc(C)cc(-c3nn[n-]n3)n2)[nH]1 ZINC001571186647 952908139 /nfs/dbraw/zinc/90/81/39/952908139.db2.gz ZFSCMMODFIFLSB-ZDUSSCGKSA-N -1 1 381.444 1.627 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CCCC[C@@H]1[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571188175 952912604 /nfs/dbraw/zinc/91/26/04/952912604.db2.gz HINYKRRIGJCRLP-TZMCWYRMSA-N -1 1 381.444 1.789 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CCCC[C@@H]1[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571188175 952912607 /nfs/dbraw/zinc/91/26/07/952912607.db2.gz HINYKRRIGJCRLP-TZMCWYRMSA-N -1 1 381.444 1.789 20 0 GDADMM Cc1cc(C)c(C(=O)N2CCC[C@H]2CN(C)c2cncc(-c3nnn[n-]3)n2)[nH]1 ZINC001571188570 952917370 /nfs/dbraw/zinc/91/73/70/952917370.db2.gz LFTVGUFAFKYELF-ZDUSSCGKSA-N -1 1 381.444 1.343 20 0 GDADMM Cc1cc(C)c(C(=O)N2CCC[C@H]2CN(C)c2cncc(-c3nn[n-]n3)n2)[nH]1 ZINC001571188570 952917374 /nfs/dbraw/zinc/91/73/74/952917374.db2.gz LFTVGUFAFKYELF-ZDUSSCGKSA-N -1 1 381.444 1.343 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@H]2CN(C)c2ccc(-c3nnn[n-]3)nn2)n1C ZINC001571188897 952921392 /nfs/dbraw/zinc/92/13/92/952921392.db2.gz PBTMBONJKBRCHA-ZDUSSCGKSA-N -1 1 381.444 1.045 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@H]2CN(C)c2ccc(-c3nn[n-]n3)nn2)n1C ZINC001571188897 952921397 /nfs/dbraw/zinc/92/13/97/952921397.db2.gz PBTMBONJKBRCHA-ZDUSSCGKSA-N -1 1 381.444 1.045 20 0 GDADMM C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](CN(C)c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571190536 952942717 /nfs/dbraw/zinc/94/27/17/952942717.db2.gz KWKCJKHUHWEWMB-KXUCPTDWSA-N -1 1 381.893 1.917 20 0 GDADMM C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](CN(C)c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571190536 952942724 /nfs/dbraw/zinc/94/27/24/952942724.db2.gz KWKCJKHUHWEWMB-KXUCPTDWSA-N -1 1 381.893 1.917 20 0 GDADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NCc1ccc2c(c1)OCCCO2 ZINC001571194180 952959303 /nfs/dbraw/zinc/95/93/03/952959303.db2.gz HTUJGECORJHPEA-UHFFFAOYSA-N -1 1 382.380 1.367 20 0 GDADMM C[C@H]1CC[C@@H](NC(=O)c2ccccc2F)CN1c1cncc(-c2nnn[n-]2)n1 ZINC001571196041 952979752 /nfs/dbraw/zinc/97/97/52/952979752.db2.gz GWNKYYAKZRCVQA-NWDGAFQWSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@H]1CC[C@@H](NC(=O)c2ccccc2F)CN1c1cncc(-c2nn[n-]n2)n1 ZINC001571196041 952979755 /nfs/dbraw/zinc/97/97/55/952979755.db2.gz GWNKYYAKZRCVQA-NWDGAFQWSA-N -1 1 382.403 1.583 20 0 GDADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@@H]1CCN(C(=O)c2ccc(CF)cc2)C1 ZINC001571196076 952979944 /nfs/dbraw/zinc/97/99/44/952979944.db2.gz HDNGUGAGKUXIRZ-CQSZACIVSA-N -1 1 382.403 1.477 20 0 GDADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)c2ccc(CF)cc2)C1 ZINC001571196076 952979948 /nfs/dbraw/zinc/97/99/48/952979948.db2.gz HDNGUGAGKUXIRZ-CQSZACIVSA-N -1 1 382.403 1.477 20 0 GDADMM Cc1ccc(C(=O)NC[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)c(F)c1 ZINC001571196502 952982877 /nfs/dbraw/zinc/98/28/77/952982877.db2.gz LLIJKKXIGSSDPD-GFCCVEGCSA-N -1 1 382.403 1.361 20 0 GDADMM Cc1ccc(C(=O)NC[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)c(F)c1 ZINC001571196502 952982881 /nfs/dbraw/zinc/98/28/81/952982881.db2.gz LLIJKKXIGSSDPD-GFCCVEGCSA-N -1 1 382.403 1.361 20 0 GDADMM Cc1cccc(C(=O)NC[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)c1F ZINC001571196721 952983839 /nfs/dbraw/zinc/98/38/39/952983839.db2.gz MSLYTCZOFXSBSQ-GFCCVEGCSA-N -1 1 382.403 1.361 20 0 GDADMM Cc1cccc(C(=O)NC[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)c1F ZINC001571196721 952983844 /nfs/dbraw/zinc/98/38/44/952983844.db2.gz MSLYTCZOFXSBSQ-GFCCVEGCSA-N -1 1 382.403 1.361 20 0 GDADMM Cc1ccc(F)cc1C(=O)N1C[C@@H](C)[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571197097 952986461 /nfs/dbraw/zinc/98/64/61/952986461.db2.gz RVWIEAGNSWGOKC-ABAIWWIYSA-N -1 1 382.403 1.677 20 0 GDADMM Cc1ccc(F)cc1C(=O)N1C[C@@H](C)[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571197097 952986462 /nfs/dbraw/zinc/98/64/62/952986462.db2.gz RVWIEAGNSWGOKC-ABAIWWIYSA-N -1 1 382.403 1.677 20 0 GDADMM CC1(C)CN(C(=O)c2cccc(F)c2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571197121 952986942 /nfs/dbraw/zinc/98/69/42/952986942.db2.gz SIRHIMOTMPQJFZ-CQSZACIVSA-N -1 1 382.403 1.759 20 0 GDADMM CC1(C)CN(C(=O)c2cccc(F)c2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571197121 952986945 /nfs/dbraw/zinc/98/69/45/952986945.db2.gz SIRHIMOTMPQJFZ-CQSZACIVSA-N -1 1 382.403 1.759 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cccc(F)c1 ZINC001571197363 952990002 /nfs/dbraw/zinc/99/00/02/952990002.db2.gz XWTATZMRKIBUOV-FZMZJTMJSA-N -1 1 382.403 1.612 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cccc(F)c1 ZINC001571197363 952990004 /nfs/dbraw/zinc/99/00/04/952990004.db2.gz XWTATZMRKIBUOV-FZMZJTMJSA-N -1 1 382.403 1.612 20 0 GDADMM Cc1ccc(C(=O)NC[C@@H]2CCCCN2c2nc(C)cc(-c3nnn[n-]3)n2)o1 ZINC001571198840 952993631 /nfs/dbraw/zinc/99/36/31/952993631.db2.gz GVSYSVSPWBFGKF-ZDUSSCGKSA-N -1 1 382.428 1.655 20 0 GDADMM Cc1ccc(C(=O)NC[C@@H]2CCCCN2c2nc(C)cc(-c3nn[n-]n3)n2)o1 ZINC001571198840 952993635 /nfs/dbraw/zinc/99/36/35/952993635.db2.gz GVSYSVSPWBFGKF-ZDUSSCGKSA-N -1 1 382.428 1.655 20 0 GDADMM CCN(C(=O)c1cc(C)oc1C)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571199000 952994893 /nfs/dbraw/zinc/99/48/93/952994893.db2.gz JUNDRAWMOYRZNB-ZDUSSCGKSA-N -1 1 382.428 1.608 20 0 GDADMM CCN(C(=O)c1cc(C)oc1C)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571199000 952994897 /nfs/dbraw/zinc/99/48/97/952994897.db2.gz JUNDRAWMOYRZNB-ZDUSSCGKSA-N -1 1 382.428 1.608 20 0 GDADMM CC(C)c1occc1C(=O)N1C[C@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571199931 953005667 /nfs/dbraw/zinc/00/56/67/953005667.db2.gz CWYOKZBFMHVLQY-SMDDNHRTSA-N -1 1 382.428 1.946 20 0 GDADMM CC(C)c1occc1C(=O)N1C[C@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571199931 953005668 /nfs/dbraw/zinc/00/56/68/953005668.db2.gz CWYOKZBFMHVLQY-SMDDNHRTSA-N -1 1 382.428 1.946 20 0 GDADMM Cc1coc(C(=O)NC[C@H]2CCCCCN2c2ccc(-c3nnn[n-]3)nn2)c1 ZINC001571200578 953010893 /nfs/dbraw/zinc/01/08/93/953010893.db2.gz FACGZMIDFGBGIJ-CYBMUJFWSA-N -1 1 382.428 1.737 20 0 GDADMM Cc1coc(C(=O)NC[C@H]2CCCCCN2c2ccc(-c3nn[n-]n3)nn2)c1 ZINC001571200578 953010896 /nfs/dbraw/zinc/01/08/96/953010896.db2.gz FACGZMIDFGBGIJ-CYBMUJFWSA-N -1 1 382.428 1.737 20 0 GDADMM Cc1ccoc1CC(=O)N1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571201369 953017793 /nfs/dbraw/zinc/01/77/93/953017793.db2.gz LHMXPWLXSHUBKA-ZDUSSCGKSA-N -1 1 382.428 1.594 20 0 GDADMM Cc1ccoc1CC(=O)N1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571201369 953017798 /nfs/dbraw/zinc/01/77/98/953017798.db2.gz LHMXPWLXSHUBKA-ZDUSSCGKSA-N -1 1 382.428 1.594 20 0 GDADMM Cc1cc(C)c(C(=O)N2CCC(CNc3ccnc(-c4nn[n-]n4)n3)CC2)o1 ZINC001571201347 953017809 /nfs/dbraw/zinc/01/78/09/953017809.db2.gz KKLQDDOBIAWPDA-UHFFFAOYSA-N -1 1 382.428 1.253 20 0 GDADMM O=C(N[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)c1cncnc1 ZINC001571201554 953018231 /nfs/dbraw/zinc/01/82/31/953018231.db2.gz RKHZYNYNMXJZFL-AWEZNQCLSA-N -1 1 382.403 1.190 20 0 GDADMM CCc1nn(CCOC(=O)Cc2ccccc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC001571201568 953019028 /nfs/dbraw/zinc/01/90/28/953019028.db2.gz RQOYYBRJWNIDGD-UHFFFAOYSA-N -1 1 382.424 1.334 20 0 GDADMM Cc1ccoc1C(=O)N1CCCC[C@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001571202065 953021589 /nfs/dbraw/zinc/02/15/89/953021589.db2.gz QKXUDGNOOPMFQD-ZDUSSCGKSA-N -1 1 382.428 1.689 20 0 GDADMM Cc1ccoc1C(=O)N1CCCC[C@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001571202065 953021593 /nfs/dbraw/zinc/02/15/93/953021593.db2.gz QKXUDGNOOPMFQD-ZDUSSCGKSA-N -1 1 382.428 1.689 20 0 GDADMM Cc1ccoc1CC(=O)N[C@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571201954 953022001 /nfs/dbraw/zinc/02/20/01/953022001.db2.gz POEWZKUGIKAHKF-STQMWFEESA-N -1 1 382.428 1.640 20 0 GDADMM Cc1ccoc1CC(=O)N[C@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571201954 953022003 /nfs/dbraw/zinc/02/20/03/953022003.db2.gz POEWZKUGIKAHKF-STQMWFEESA-N -1 1 382.428 1.640 20 0 GDADMM Cc1cc(C)c(C(=O)NC[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)o1 ZINC001571202239 953023833 /nfs/dbraw/zinc/02/38/33/953023833.db2.gz RZVURPZBQURXGI-CYBMUJFWSA-N -1 1 382.428 1.513 20 0 GDADMM Cc1cc(C)c(C(=O)NC[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)o1 ZINC001571202239 953023839 /nfs/dbraw/zinc/02/38/39/953023839.db2.gz RZVURPZBQURXGI-CYBMUJFWSA-N -1 1 382.428 1.513 20 0 GDADMM CC(C)c1ccoc1C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571202467 953025663 /nfs/dbraw/zinc/02/56/63/953025663.db2.gz XZCMVIVTEIIGHC-UHFFFAOYSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1ccoc1C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571202467 953025666 /nfs/dbraw/zinc/02/56/66/953025666.db2.gz XZCMVIVTEIIGHC-UHFFFAOYSA-N -1 1 382.428 1.772 20 0 GDADMM Cc1coc(C)c1C(=O)NC[C@H]1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571202581 953027106 /nfs/dbraw/zinc/02/71/06/953027106.db2.gz VITODWPPNCFERW-QWHCGFSZSA-N -1 1 382.428 1.877 20 0 GDADMM Cc1coc(C)c1C(=O)NC[C@H]1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571202581 953027110 /nfs/dbraw/zinc/02/71/10/953027110.db2.gz VITODWPPNCFERW-QWHCGFSZSA-N -1 1 382.428 1.877 20 0 GDADMM O=C(Cc1ccco1)N1CCC[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571205727 953041854 /nfs/dbraw/zinc/04/18/54/953041854.db2.gz LBJVEVRXCRBGNW-CYBMUJFWSA-N -1 1 382.428 1.533 20 0 GDADMM O=C(Cc1ccco1)N1CCC[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571205727 953041855 /nfs/dbraw/zinc/04/18/55/953041855.db2.gz LBJVEVRXCRBGNW-CYBMUJFWSA-N -1 1 382.428 1.533 20 0 GDADMM CCc1n[nH]cc1C(=O)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571205712 953041860 /nfs/dbraw/zinc/04/18/60/953041860.db2.gz NGSQVWJBMXDZNW-NSHDSACASA-N -1 1 382.432 1.049 20 0 GDADMM CCc1n[nH]cc1C(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571205712 953041861 /nfs/dbraw/zinc/04/18/61/953041861.db2.gz NGSQVWJBMXDZNW-NSHDSACASA-N -1 1 382.432 1.049 20 0 GDADMM CCn1cc(C(=O)N[C@@H]2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)cn1 ZINC001571206824 953056168 /nfs/dbraw/zinc/05/61/68/953056168.db2.gz XQYMEBZOLZYZPW-QWHCGFSZSA-N -1 1 382.432 1.026 20 0 GDADMM CCn1cc(C(=O)N[C@@H]2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)cn1 ZINC001571206824 953056171 /nfs/dbraw/zinc/05/61/71/953056171.db2.gz XQYMEBZOLZYZPW-QWHCGFSZSA-N -1 1 382.432 1.026 20 0 GDADMM CC(C)n1ccc(C(=O)N2CCC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571207122 953060261 /nfs/dbraw/zinc/06/02/61/953060261.db2.gz WAFOFIWCNZAWLJ-LBPRGKRZSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1ccc(C(=O)N2CCC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571207122 953060265 /nfs/dbraw/zinc/06/02/65/953060265.db2.gz WAFOFIWCNZAWLJ-LBPRGKRZSA-N -1 1 382.432 1.151 20 0 GDADMM Cc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(-c3nn[n-]n3)n2)c(C)s1 ZINC001571210034 953070159 /nfs/dbraw/zinc/07/01/59/953070159.db2.gz MEEPCRDLZNVCQR-RYUDHWBXSA-N -1 1 382.453 1.438 20 0 GDADMM O=C(N[C@@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2)c1cccs1 ZINC001571210771 953074130 /nfs/dbraw/zinc/07/41/30/953074130.db2.gz WWXPPAAVIAVMMB-CYBMUJFWSA-N -1 1 382.453 1.507 20 0 GDADMM O=C(N[C@@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2)c1cccs1 ZINC001571210771 953074135 /nfs/dbraw/zinc/07/41/35/953074135.db2.gz WWXPPAAVIAVMMB-CYBMUJFWSA-N -1 1 382.453 1.507 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCCN(C(=O)C3(C4CC4)CC3)C2)n1 ZINC001571211756 953080185 /nfs/dbraw/zinc/08/01/85/953080185.db2.gz FFZPENRVEHIXNV-CYBMUJFWSA-N -1 1 382.472 1.806 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCCN(C(=O)C3(C4CC4)CC3)C2)n1 ZINC001571211756 953080188 /nfs/dbraw/zinc/08/01/88/953080188.db2.gz FFZPENRVEHIXNV-CYBMUJFWSA-N -1 1 382.472 1.806 20 0 GDADMM C[C@@H](NC(=O)C1CC2(CC2)C1)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571211710 953080278 /nfs/dbraw/zinc/08/02/78/953080278.db2.gz CYUHATNKAVPIHI-GFCCVEGCSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](NC(=O)C1CC2(CC2)C1)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571211710 953080280 /nfs/dbraw/zinc/08/02/80/953080280.db2.gz CYUHATNKAVPIHI-GFCCVEGCSA-N -1 1 382.472 1.568 20 0 GDADMM CN(C[C@H]1CCN(C(=O)C(C2CC2)C2CC2)C1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571211721 953080696 /nfs/dbraw/zinc/08/06/96/953080696.db2.gz DFUUJPGAGIZLJY-GFCCVEGCSA-N -1 1 382.472 1.378 20 0 GDADMM CN(C[C@H]1CCN(C(=O)C(C2CC2)C2CC2)C1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571211721 953080698 /nfs/dbraw/zinc/08/06/98/953080698.db2.gz DFUUJPGAGIZLJY-GFCCVEGCSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H]1C[C@@H]1C(=O)N1CCC2(CC1)CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001571212304 953087099 /nfs/dbraw/zinc/08/70/99/953087099.db2.gz LCERVSPKZONHQN-KBPBESRZSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H]1C[C@@H]1C(=O)N1CCC2(CC1)CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001571212304 953087102 /nfs/dbraw/zinc/08/71/02/953087102.db2.gz LCERVSPKZONHQN-KBPBESRZSA-N -1 1 382.472 1.522 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H]3CN(C(=O)CCC4CC4)CC[C@@H]32)n1 ZINC001571212295 953087224 /nfs/dbraw/zinc/08/72/24/953087224.db2.gz KZCCLMFQGWYSAZ-HOCLYGCPSA-N -1 1 382.472 1.583 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H]3CN(C(=O)CCC4CC4)CC[C@@H]32)n1 ZINC001571212295 953087229 /nfs/dbraw/zinc/08/72/29/953087229.db2.gz KZCCLMFQGWYSAZ-HOCLYGCPSA-N -1 1 382.472 1.583 20 0 GDADMM CCN(CC1CCN(C(=O)C2=CCCC2)CC1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571212902 953091340 /nfs/dbraw/zinc/09/13/40/953091340.db2.gz NZASXIXIYHZDTK-UHFFFAOYSA-N -1 1 382.472 1.832 20 0 GDADMM CCN(CC1CCN(C(=O)C2=CCCC2)CC1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571212902 953091343 /nfs/dbraw/zinc/09/13/43/953091343.db2.gz NZASXIXIYHZDTK-UHFFFAOYSA-N -1 1 382.472 1.832 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H]3[C@@H](CNC(=O)[C@@H]4C[C@H]4CC)[C@@H]3C2)n1 ZINC001571213270 953094083 /nfs/dbraw/zinc/09/40/83/953094083.db2.gz QPFZHJFKKHOYCB-KSTCHIGDSA-N -1 1 382.472 1.064 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H]3[C@@H](CNC(=O)[C@@H]4C[C@H]4CC)[C@@H]3C2)n1 ZINC001571213270 953094086 /nfs/dbraw/zinc/09/40/86/953094086.db2.gz QPFZHJFKKHOYCB-KSTCHIGDSA-N -1 1 382.472 1.064 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@]3(CCN(C(=O)[C@@H](C)C4CC4)C3)C2)n1 ZINC001571213252 953094209 /nfs/dbraw/zinc/09/42/09/953094209.db2.gz QKLUGGYSKDRJLG-DJJJIMSYSA-N -1 1 382.472 1.440 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@]3(CCN(C(=O)[C@@H](C)C4CC4)C3)C2)n1 ZINC001571213252 953094214 /nfs/dbraw/zinc/09/42/14/953094214.db2.gz QKLUGGYSKDRJLG-DJJJIMSYSA-N -1 1 382.472 1.440 20 0 GDADMM CC[C@H]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001571213542 953096734 /nfs/dbraw/zinc/09/67/34/953096734.db2.gz RPPTXTPMYAGHPT-RKWLLSJHSA-N -1 1 382.472 1.424 20 0 GDADMM CC[C@H]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571213542 953096738 /nfs/dbraw/zinc/09/67/38/953096738.db2.gz RPPTXTPMYAGHPT-RKWLLSJHSA-N -1 1 382.472 1.424 20 0 GDADMM C[C@]12CN(C(=O)CCC3CCC3)C[C@H]1CN(c1nccnc1-c1nnn[n-]1)C2 ZINC001571213630 953096872 /nfs/dbraw/zinc/09/68/72/953096872.db2.gz SLEAAWVKJZWQDO-IFXJQAMLSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@]12CN(C(=O)CCC3CCC3)C[C@H]1CN(c1nccnc1-c1nn[n-]n1)C2 ZINC001571213630 953096877 /nfs/dbraw/zinc/09/68/77/953096877.db2.gz SLEAAWVKJZWQDO-IFXJQAMLSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)CC(C(=O)N2CC[C@@]3(CCN(c4nccnc4-c4nnn[n-]4)C3)C2)C1 ZINC001571214043 953098239 /nfs/dbraw/zinc/09/82/39/953098239.db2.gz VREFXOZDXHCUPS-LJQANCHMSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)CC(C(=O)N2CC[C@@]3(CCN(c4nccnc4-c4nn[n-]n4)C3)C2)C1 ZINC001571214043 953098242 /nfs/dbraw/zinc/09/82/42/953098242.db2.gz VREFXOZDXHCUPS-LJQANCHMSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H](C(=O)N1CC[C@@]2(C1)CCCN(c1cncc(-c3nnn[n-]3)n1)C2)C1CC1 ZINC001571214073 953099500 /nfs/dbraw/zinc/09/95/00/953099500.db2.gz WGFHFAQREYMXLC-DJJJIMSYSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H](C(=O)N1CC[C@@]2(C1)CCCN(c1cncc(-c3nn[n-]n3)n1)C2)C1CC1 ZINC001571214073 953099504 /nfs/dbraw/zinc/09/95/04/953099504.db2.gz WGFHFAQREYMXLC-DJJJIMSYSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571214307 953100912 /nfs/dbraw/zinc/10/09/12/953100912.db2.gz WYTNXBNFDSHHAG-FQKPHLNHSA-N -1 1 382.472 1.566 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571214307 953100913 /nfs/dbraw/zinc/10/09/13/953100913.db2.gz WYTNXBNFDSHHAG-FQKPHLNHSA-N -1 1 382.472 1.566 20 0 GDADMM CC1(C)CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1NC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001571214460 953102329 /nfs/dbraw/zinc/10/23/29/953102329.db2.gz ZAKLTIABYWCIBU-KCQAQPDRSA-N -1 1 382.472 1.424 20 0 GDADMM CC1(C)CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001571214460 953102333 /nfs/dbraw/zinc/10/23/33/953102333.db2.gz ZAKLTIABYWCIBU-KCQAQPDRSA-N -1 1 382.472 1.424 20 0 GDADMM C[C@@H]1CN(C(=O)C2CC3(CCC3)C2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571214495 953102648 /nfs/dbraw/zinc/10/26/48/953102648.db2.gz ZYLJSNWQXIKIPK-OCCSQVGLSA-N -1 1 382.472 1.165 20 0 GDADMM O=C(NC[C@@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1)[C@@]12C[C@@H]1CCCC2 ZINC001571216871 953104680 /nfs/dbraw/zinc/10/46/80/953104680.db2.gz BHHFFFXMVLYJLB-NJSLBKSFSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(NC[C@@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1)[C@@]12C[C@@H]1CCCC2 ZINC001571216871 953104682 /nfs/dbraw/zinc/10/46/82/953104682.db2.gz BHHFFFXMVLYJLB-NJSLBKSFSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(C[C@@H]1C[C@H]1C1CC1)N1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571217345 953107397 /nfs/dbraw/zinc/10/73/97/953107397.db2.gz FWAKFEFXBPQUKY-KKUMJFAQSA-N -1 1 382.472 1.886 20 0 GDADMM O=C(C[C@@H]1C[C@H]1C1CC1)N1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571217345 953107398 /nfs/dbraw/zinc/10/73/98/953107398.db2.gz FWAKFEFXBPQUKY-KKUMJFAQSA-N -1 1 382.472 1.886 20 0 GDADMM O=C([C@@H]1CCCC12CC2)N1CC[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571218745 953118666 /nfs/dbraw/zinc/11/86/66/953118666.db2.gz PRPAFRMWWVRHCI-KBPBESRZSA-N -1 1 382.472 1.888 20 0 GDADMM O=C([C@@H]1CCCC12CC2)N1CC[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571218745 953118668 /nfs/dbraw/zinc/11/86/68/953118668.db2.gz PRPAFRMWWVRHCI-KBPBESRZSA-N -1 1 382.472 1.888 20 0 GDADMM O=C(NCC1CCN(c2nccnc2-c2nnn[n-]2)CC1)[C@@]12C[C@@H]1CCCC2 ZINC001571218783 953118875 /nfs/dbraw/zinc/11/88/75/953118875.db2.gz RDDLYHILVQRTQZ-LIRRHRJNSA-N -1 1 382.472 1.570 20 0 GDADMM O=C(NCC1CCN(c2nccnc2-c2nn[n-]n2)CC1)[C@@]12C[C@@H]1CCCC2 ZINC001571218783 953118880 /nfs/dbraw/zinc/11/88/80/953118880.db2.gz RDDLYHILVQRTQZ-LIRRHRJNSA-N -1 1 382.472 1.570 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001571219343 953124732 /nfs/dbraw/zinc/12/47/32/953124732.db2.gz XRHFXYPRKZQYQL-BLAXDLJRSA-N -1 1 382.472 1.932 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001571219343 953124735 /nfs/dbraw/zinc/12/47/35/953124735.db2.gz XRHFXYPRKZQYQL-BLAXDLJRSA-N -1 1 382.472 1.932 20 0 GDADMM O=C(N[C@@H]1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1cncc(F)c1 ZINC001571219689 953126466 /nfs/dbraw/zinc/12/64/66/953126466.db2.gz QDAACDDNKWHCQW-GXFFZTMASA-N -1 1 383.391 1.201 20 0 GDADMM O=C(N[C@@H]1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1cncc(F)c1 ZINC001571219689 953126468 /nfs/dbraw/zinc/12/64/68/953126468.db2.gz QDAACDDNKWHCQW-GXFFZTMASA-N -1 1 383.391 1.201 20 0 GDADMM Cc1nn(C)c(NC(=O)COc2cccc3c2OC(C)(C)C3)c1-c1nnn[n-]1 ZINC001571222034 953130477 /nfs/dbraw/zinc/13/04/77/953130477.db2.gz AHSSGWBYHGXKJS-UHFFFAOYSA-N -1 1 383.412 1.640 20 0 GDADMM Cc1nn(C)c(NC(=O)COc2cccc3c2OC(C)(C)C3)c1-c1nn[n-]n1 ZINC001571222034 953130480 /nfs/dbraw/zinc/13/04/80/953130480.db2.gz AHSSGWBYHGXKJS-UHFFFAOYSA-N -1 1 383.412 1.640 20 0 GDADMM CCc1cc(C(=O)N[C@H]2CCC[C@H]2CNc2cncc(-c3nnn[n-]3)n2)no1 ZINC001571223192 953142049 /nfs/dbraw/zinc/14/20/49/953142049.db2.gz PKTRZBMAPRMABN-JQWIXIFHSA-N -1 1 383.416 1.218 20 0 GDADMM CCc1cc(C(=O)N[C@H]2CCC[C@H]2CNc2cncc(-c3nn[n-]n3)n2)no1 ZINC001571223192 953142052 /nfs/dbraw/zinc/14/20/52/953142052.db2.gz PKTRZBMAPRMABN-JQWIXIFHSA-N -1 1 383.416 1.218 20 0 GDADMM CC(C)(C)c1ocnc1C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571223372 953144486 /nfs/dbraw/zinc/14/44/86/953144486.db2.gz QGSYGJWOBJNMKW-JTQLQIEISA-N -1 1 383.416 1.269 20 0 GDADMM CC(C)(C)c1ocnc1C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571223372 953144489 /nfs/dbraw/zinc/14/44/89/953144489.db2.gz QGSYGJWOBJNMKW-JTQLQIEISA-N -1 1 383.416 1.269 20 0 GDADMM CC(C)c1cc(C(=O)N2CCCN(c3cnc(-c4nnn[n-]4)cn3)CC2)on1 ZINC001571223720 953146341 /nfs/dbraw/zinc/14/63/41/953146341.db2.gz TWPMKWIGGYQJMI-UHFFFAOYSA-N -1 1 383.416 1.121 20 0 GDADMM CC(C)c1cc(C(=O)N2CCCN(c3cnc(-c4nn[n-]n4)cn3)CC2)on1 ZINC001571223720 953146343 /nfs/dbraw/zinc/14/63/43/953146343.db2.gz TWPMKWIGGYQJMI-UHFFFAOYSA-N -1 1 383.416 1.121 20 0 GDADMM Cc1noc(C)c1C(=O)N1C[C@@H](CNc2cncc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001571224693 953150607 /nfs/dbraw/zinc/15/06/07/953150607.db2.gz DAWVKYLUIBAJGJ-BXKDBHETSA-N -1 1 383.416 1.082 20 0 GDADMM Cc1noc(C)c1C(=O)N1C[C@@H](CNc2cncc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001571224693 953150609 /nfs/dbraw/zinc/15/06/09/953150609.db2.gz DAWVKYLUIBAJGJ-BXKDBHETSA-N -1 1 383.416 1.082 20 0 GDADMM Cc1cc(C(=O)N2C[C@H](C)[C@@H](CNc3nc(C)cc(-c4nnn[n-]4)n3)C2)no1 ZINC001571224684 953150615 /nfs/dbraw/zinc/15/06/15/953150615.db2.gz CURYNYIYEUFLJP-CABZTGNLSA-N -1 1 383.416 1.082 20 0 GDADMM Cc1cc(C(=O)N2C[C@H](C)[C@@H](CNc3nc(C)cc(-c4nn[n-]n4)n3)C2)no1 ZINC001571224684 953150619 /nfs/dbraw/zinc/15/06/19/953150619.db2.gz CURYNYIYEUFLJP-CABZTGNLSA-N -1 1 383.416 1.082 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCC[C@@H](NC(=O)Cc3cnoc3)C2)n1 ZINC001571225209 953152078 /nfs/dbraw/zinc/15/20/78/953152078.db2.gz IQFLWNKRLXWKAD-CHWSQXEVSA-N -1 1 383.416 1.035 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCC[C@@H](NC(=O)Cc3cnoc3)C2)n1 ZINC001571225209 953152081 /nfs/dbraw/zinc/15/20/81/953152081.db2.gz IQFLWNKRLXWKAD-CHWSQXEVSA-N -1 1 383.416 1.035 20 0 GDADMM Cc1noc(C)c1C(=O)N1C[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1 ZINC001571225280 953153070 /nfs/dbraw/zinc/15/30/70/953153070.db2.gz JHMZTBSPBXHCGB-BXKDBHETSA-N -1 1 383.416 1.082 20 0 GDADMM Cc1noc(C)c1C(=O)N1C[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1 ZINC001571225280 953153073 /nfs/dbraw/zinc/15/30/73/953153073.db2.gz JHMZTBSPBXHCGB-BXKDBHETSA-N -1 1 383.416 1.082 20 0 GDADMM Cc1conc1C(=O)N(C)C1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571225618 953153892 /nfs/dbraw/zinc/15/38/92/953153892.db2.gz LRBQONSNDACTMX-UHFFFAOYSA-N -1 1 383.416 1.448 20 0 GDADMM Cc1conc1C(=O)N(C)C1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571225618 953153894 /nfs/dbraw/zinc/15/38/94/953153894.db2.gz LRBQONSNDACTMX-UHFFFAOYSA-N -1 1 383.416 1.448 20 0 GDADMM Cc1ncoc1C(=O)N1CCCC[C@@H]1CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001571225971 953155532 /nfs/dbraw/zinc/15/55/32/953155532.db2.gz PLZRDBPSZMMQKG-GFCCVEGCSA-N -1 1 383.416 1.084 20 0 GDADMM Cc1ncoc1C(=O)N1CCCC[C@@H]1CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001571225971 953155533 /nfs/dbraw/zinc/15/55/33/953155533.db2.gz PLZRDBPSZMMQKG-GFCCVEGCSA-N -1 1 383.416 1.084 20 0 GDADMM Cc1nocc1C(=O)NC[C@H]1CCCCCN1c1nccnc1-c1nnn[n-]1 ZINC001571227802 953160122 /nfs/dbraw/zinc/16/01/22/953160122.db2.gz CISRDYHAGRMSHW-GFCCVEGCSA-N -1 1 383.416 1.132 20 0 GDADMM Cc1nocc1C(=O)NC[C@H]1CCCCCN1c1nccnc1-c1nn[n-]n1 ZINC001571227802 953160123 /nfs/dbraw/zinc/16/01/23/953160123.db2.gz CISRDYHAGRMSHW-GFCCVEGCSA-N -1 1 383.416 1.132 20 0 GDADMM Cc1cc(F)cc(-c2nn[n-]n2)c1S(=O)(=O)NC[C@H](O)C1CCCCC1 ZINC001571230619 953178719 /nfs/dbraw/zinc/17/87/19/953178719.db2.gz HGMZJISDIBFDHK-AWEZNQCLSA-N -1 1 383.449 1.534 20 0 GDADMM CN(C)Cc1nc(CNC(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)co1 ZINC001571234561 953203275 /nfs/dbraw/zinc/20/32/75/953203275.db2.gz BQKDDBAZWZLMHN-UHFFFAOYSA-N -1 1 383.825 1.348 20 0 GDADMM C[C@H]1C[C@H](C(=O)N2CCN(c3snc(Cl)c3-c3nnn[n-]3)CC2)CO1 ZINC001571234657 953204244 /nfs/dbraw/zinc/20/42/44/953204244.db2.gz FHKGKHXUJQNHQU-IUCAKERBSA-N -1 1 383.865 1.050 20 0 GDADMM C[C@H]1C[C@H](C(=O)N2CCN(c3snc(Cl)c3-c3nn[n-]n3)CC2)CO1 ZINC001571234657 953204245 /nfs/dbraw/zinc/20/42/45/953204245.db2.gz FHKGKHXUJQNHQU-IUCAKERBSA-N -1 1 383.865 1.050 20 0 GDADMM O=C(C[C@H]1CCCO1)N1CC[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571234650 953204728 /nfs/dbraw/zinc/20/47/28/953204728.db2.gz FGKAZJSNKWVECA-RKDXNWHRSA-N -1 1 383.865 1.559 20 0 GDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCCN1C(=O)C1=COCCC1 ZINC001571242071 953252923 /nfs/dbraw/zinc/25/29/23/953252923.db2.gz ATQYOEBQWGEDPP-IUODEOHRSA-N -1 1 384.444 1.533 20 0 GDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCCN1C(=O)C1=COCCC1 ZINC001571242071 953252925 /nfs/dbraw/zinc/25/29/25/953252925.db2.gz ATQYOEBQWGEDPP-IUODEOHRSA-N -1 1 384.444 1.533 20 0 GDADMM C[C@H]1CN(C(=O)C2=COCCC2)CC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571242840 953260292 /nfs/dbraw/zinc/26/02/92/953260292.db2.gz PEGZSRNFACWASR-STQMWFEESA-N -1 1 384.444 1.248 20 0 GDADMM C[C@H]1CN(C(=O)C2=COCCC2)CC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571242840 953260294 /nfs/dbraw/zinc/26/02/94/953260294.db2.gz PEGZSRNFACWASR-STQMWFEESA-N -1 1 384.444 1.248 20 0 GDADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CCN(C(=O)C2=COCCC2)CC1 ZINC001571242986 953261699 /nfs/dbraw/zinc/26/16/99/953261699.db2.gz SKHMNTCWHIPLRV-GFCCVEGCSA-N -1 1 384.444 1.390 20 0 GDADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CCN(C(=O)C2=COCCC2)CC1 ZINC001571242986 953261702 /nfs/dbraw/zinc/26/17/02/953261702.db2.gz SKHMNTCWHIPLRV-GFCCVEGCSA-N -1 1 384.444 1.390 20 0 GDADMM CCc1ccsc1C(=O)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571244734 953266860 /nfs/dbraw/zinc/26/68/60/953266860.db2.gz GWHSVFDFKJWJNX-LLVKDONJSA-N -1 1 384.469 1.855 20 0 GDADMM CCc1ccsc1C(=O)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571244734 953266868 /nfs/dbraw/zinc/26/68/68/953266868.db2.gz GWHSVFDFKJWJNX-LLVKDONJSA-N -1 1 384.469 1.855 20 0 GDADMM Cc1ccc(CC(=O)N2CCCN(c3cncc(-c4nnn[n-]4)n3)CC2)s1 ZINC001571244796 953267635 /nfs/dbraw/zinc/26/76/35/953267635.db2.gz IYQRODGRAXLJRV-UHFFFAOYSA-N -1 1 384.469 1.308 20 0 GDADMM Cc1ccc(CC(=O)N2CCCN(c3cncc(-c4nn[n-]n4)n3)CC2)s1 ZINC001571244796 953267639 /nfs/dbraw/zinc/26/76/39/953267639.db2.gz IYQRODGRAXLJRV-UHFFFAOYSA-N -1 1 384.469 1.308 20 0 GDADMM C[C@@H]1CN(C(=O)Cc2cccs2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571244911 953268679 /nfs/dbraw/zinc/26/86/79/953268679.db2.gz LWQSEDWAPWQWAI-VXGBXAGGSA-N -1 1 384.469 1.467 20 0 GDADMM C[C@@H]1CN(C(=O)Cc2cccs2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571244911 953268681 /nfs/dbraw/zinc/26/86/81/953268681.db2.gz LWQSEDWAPWQWAI-VXGBXAGGSA-N -1 1 384.469 1.467 20 0 GDADMM Cc1cc(C)c(C(=O)NC[C@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)s1 ZINC001571245231 953271419 /nfs/dbraw/zinc/27/14/19/953271419.db2.gz PVQFXQKMJMFHNG-GFCCVEGCSA-N -1 1 384.469 1.734 20 0 GDADMM CCc1ccc(C(=O)N2CCC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)s1 ZINC001571245260 953271688 /nfs/dbraw/zinc/27/16/88/953271688.db2.gz QSVOZVCMKKWLFQ-NSHDSACASA-N -1 1 384.469 1.997 20 0 GDADMM CCc1ccc(C(=O)N2CCC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)s1 ZINC001571245260 953271689 /nfs/dbraw/zinc/27/16/89/953271689.db2.gz QSVOZVCMKKWLFQ-NSHDSACASA-N -1 1 384.469 1.997 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001571245429 953273515 /nfs/dbraw/zinc/27/35/15/953273515.db2.gz IGRUGIAATHRQNP-RYUDHWBXSA-N -1 1 384.469 1.347 20 0 GDADMM CCc1ccc(C(=O)N2CCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)s1 ZINC001571245560 953274246 /nfs/dbraw/zinc/27/42/46/953274246.db2.gz VIDFIEYBOJKLLI-LLVKDONJSA-N -1 1 384.469 1.997 20 0 GDADMM CCc1ccc(C(=O)N2CCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)s1 ZINC001571245560 953274248 /nfs/dbraw/zinc/27/42/48/953274248.db2.gz VIDFIEYBOJKLLI-LLVKDONJSA-N -1 1 384.469 1.997 20 0 GDADMM CC[C@H]1CCCC[C@@H]1C(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571249104 953300411 /nfs/dbraw/zinc/30/04/11/953300411.db2.gz DGEXPFYBRFGRSO-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM CC[C@H]1CCCC[C@@H]1C(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571249104 953300413 /nfs/dbraw/zinc/30/04/13/953300413.db2.gz DGEXPFYBRFGRSO-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C(C)(C)C2CCC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571249274 953302450 /nfs/dbraw/zinc/30/24/50/953302450.db2.gz HDGKYEOCGYDYNA-TZMCWYRMSA-N -1 1 384.488 1.957 20 0 GDADMM CC(C)(C)C1CC(C(=O)N[C@@]2(C)CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571249320 953303175 /nfs/dbraw/zinc/30/31/75/953303175.db2.gz HKPHOMOEVNPSLF-RMTLACHYSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)C1CC(C(=O)N[C@@]2(C)CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571249320 953303179 /nfs/dbraw/zinc/30/31/79/953303179.db2.gz HKPHOMOEVNPSLF-RMTLACHYSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C(C(=O)N2CCCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)C1(C)C ZINC001571250065 953307916 /nfs/dbraw/zinc/30/79/16/953307916.db2.gz NQHMRWRGADFYGF-LBPRGKRZSA-N -1 1 384.488 1.554 20 0 GDADMM CC[C@@H]1CCC[C@@]1(C)C(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571250272 953310710 /nfs/dbraw/zinc/31/07/10/953310710.db2.gz PVHLLBLHAYVSAH-BFUOFWGJSA-N -1 1 384.488 1.698 20 0 GDADMM CC1(C)CCC(C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001571250500 953311015 /nfs/dbraw/zinc/31/10/15/953311015.db2.gz QIHBRHPJSIGNKQ-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CCC(C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571250500 953311019 /nfs/dbraw/zinc/31/10/19/953311019.db2.gz QIHBRHPJSIGNKQ-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCCN(C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001571251812 953320612 /nfs/dbraw/zinc/32/06/12/953320612.db2.gz AMIULMFWXMYANJ-UONOGXRCSA-N -1 1 384.488 1.910 20 0 GDADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCCN(C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001571251812 953320616 /nfs/dbraw/zinc/32/06/16/953320616.db2.gz AMIULMFWXMYANJ-UONOGXRCSA-N -1 1 384.488 1.910 20 0 GDADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@H]1CCN(C(=O)C2CC(C(C)(C)C)C2)C1 ZINC001571252127 953324387 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/nfs/dbraw/zinc/03/10/09/532031009.db2.gz NHZCLFHMZSRXNF-UHFFFAOYSA-N -1 1 385.471 1.833 20 0 GDADMM Cc1ccc(I)cc1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000372806901 532045593 /nfs/dbraw/zinc/04/55/93/532045593.db2.gz PIHHKJJDZUGDSA-NSHDSACASA-N -1 1 399.192 1.326 20 0 GDADMM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C(C)C)[C@H](O)C(F)(F)F)c1 ZINC000601410280 532063805 /nfs/dbraw/zinc/06/38/05/532063805.db2.gz JXQLHWAPGFHEIG-UWVGGRQHSA-N -1 1 375.390 1.761 20 0 GDADMM Cc1noc(C2CN(C(=O)c3cc(I)ccc3[O-])C2)n1 ZINC000373125303 532064593 /nfs/dbraw/zinc/06/45/93/532064593.db2.gz SOYVZWQNCAVTJC-UHFFFAOYSA-N -1 1 385.161 1.928 20 0 GDADMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)c1cccc(C)c1Cl ZINC000469159869 532070784 /nfs/dbraw/zinc/07/07/84/532070784.db2.gz VLOIMERHLZBXOF-UHFFFAOYSA-N -1 1 389.886 1.827 20 0 GDADMM CNS(=O)(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C)c1 ZINC000324601688 532073196 /nfs/dbraw/zinc/07/31/96/532073196.db2.gz UQZKGQWDBUOMJV-UHFFFAOYSA-N -1 1 390.464 1.464 20 0 GDADMM O=S(=O)([N-][C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1)c1c(F)cccc1Cl ZINC000373331436 532076616 /nfs/dbraw/zinc/07/66/16/532076616.db2.gz IZCWYHFOKBPMQY-YGRLFVJLSA-N -1 1 397.877 1.494 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)c2nnc(C)[nH]2)c(Br)o1 ZINC000285432351 532082402 /nfs/dbraw/zinc/08/24/02/532082402.db2.gz RFOGOIWSTDUDGL-YFKPBYRVSA-N -1 1 393.219 1.295 20 0 GDADMM O=C(CNC(=O)c1cc(I)ccc1[O-])NC1CCCC1 ZINC000604505389 532098069 /nfs/dbraw/zinc/09/80/69/532098069.db2.gz UAKNNHDQACYVQR-UHFFFAOYSA-N -1 1 388.205 1.785 20 0 GDADMM Cc1cc(Br)c([O-])c(NC(=O)CN2CCS(=O)(=O)CC2)c1 ZINC000272435019 532098480 /nfs/dbraw/zinc/09/84/80/532098480.db2.gz HLHJOMICSAPYPD-UHFFFAOYSA-N -1 1 377.260 1.132 20 0 GDADMM CCN(CC)S(=O)(=O)c1ccc(N(C)C)c([N-]S(=O)(=O)CCOC)c1 ZINC000606342143 532101264 /nfs/dbraw/zinc/10/12/64/532101264.db2.gz JIIZFDNCPAVSHW-UHFFFAOYSA-N -1 1 393.531 1.171 20 0 GDADMM COC(=O)C1(C)CN(C(=O)c2ccc(I)c([O-])c2)C1 ZINC000425168564 532121509 /nfs/dbraw/zinc/12/15/09/532121509.db2.gz ZLHIHXGKGVTPTB-UHFFFAOYSA-N -1 1 375.162 1.632 20 0 GDADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2CCO)c(F)c1 ZINC000331189375 532139776 /nfs/dbraw/zinc/13/97/76/532139776.db2.gz VEAQUSXXFQSGAV-GXFFZTMASA-N -1 1 380.463 1.027 20 0 GDADMM COC(=O)c1ccc(S(=O)(=O)[N-]CCCCNC(=O)OC(C)(C)C)o1 ZINC000273068030 532132136 /nfs/dbraw/zinc/13/21/36/532132136.db2.gz ZDBHLFLIJKELKZ-UHFFFAOYSA-N -1 1 376.431 1.649 20 0 GDADMM COC(=O)N(Cc1noc([C@H](C)[N-]S(=O)(=O)c2cccs2)n1)C1CC1 ZINC000274089409 532184740 /nfs/dbraw/zinc/18/47/40/532184740.db2.gz YGDJKWSWTAXYBJ-VIFPVBQESA-N -1 1 386.455 1.901 20 0 GDADMM O=C([O-])[C@@H]1CCCN1C(=O)c1[nH]nc2ccc(I)cc21 ZINC000426719243 532171863 /nfs/dbraw/zinc/17/18/63/532171863.db2.gz FIBOQZYNXKXXQV-JTQLQIEISA-N -1 1 385.161 1.857 20 0 GDADMM CCOc1cc(C(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)cc(Cl)c1[O-] ZINC000273891190 532175359 /nfs/dbraw/zinc/17/53/59/532175359.db2.gz VJYHOZZJLIOIBF-GWCFXTLKSA-N -1 1 390.889 1.892 20 0 GDADMM Cc1nc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c(Br)n1C ZINC000376247096 532200716 /nfs/dbraw/zinc/20/07/16/532200716.db2.gz KBDPCSCHMVBMNA-IVZWLZJFSA-N -1 1 378.292 1.583 20 0 GDADMM NC(=O)N1CCC[C@@H](C[N-]S(=O)(=O)c2sccc2Br)C1 ZINC000287311567 532207696 /nfs/dbraw/zinc/20/76/96/532207696.db2.gz FAFQCHWJZXROBZ-QMMMGPOBSA-N -1 1 382.305 1.580 20 0 GDADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cn(C)nc1C)c1ccc(OC)c(Cl)c1 ZINC000287194573 532201410 /nfs/dbraw/zinc/20/14/10/532201410.db2.gz DPPFNSJQJYCAPC-AWEZNQCLSA-N -1 1 387.845 1.583 20 0 GDADMM Cn1c(=O)c2c3c(sc2nc1SCC(=O)Nc1nnn[n-]1)CCCC3 ZINC000333432849 532234974 /nfs/dbraw/zinc/23/49/74/532234974.db2.gz JZOZYBDVSIDPPV-UHFFFAOYSA-N -1 1 377.455 1.118 20 0 GDADMM Cn1c(=O)c2c3c(sc2nc1SCC(=O)Nc1nn[n-]n1)CCCC3 ZINC000333432849 532234976 /nfs/dbraw/zinc/23/49/76/532234976.db2.gz JZOZYBDVSIDPPV-UHFFFAOYSA-N -1 1 377.455 1.118 20 0 GDADMM Cc1nc(S(=O)(=O)[N-]C[C@@H](O)c2cccc(C)c2)c(Br)n1C ZINC000287786389 532240922 /nfs/dbraw/zinc/24/09/22/532240922.db2.gz KWPQCEMXYXQYDK-GFCCVEGCSA-N -1 1 388.287 1.811 20 0 GDADMM COC(=O)c1ncsc1S(=O)(=O)N[C@@H](CCc1ccccc1)C(=O)[O-] ZINC000274924888 532242938 /nfs/dbraw/zinc/24/29/38/532242938.db2.gz NPSYFIYVIYRLIP-NSHDSACASA-N -1 1 384.435 1.294 20 0 GDADMM COC(=O)c1ncsc1S(=O)(=O)N[C@H](CC(=O)[O-])c1ccsc1 ZINC000274948175 532245369 /nfs/dbraw/zinc/24/53/69/532245369.db2.gz SDVUGTRYCPNXOB-MRVPVSSYSA-N -1 1 376.437 1.486 20 0 GDADMM O=C([O-])[C@@H]1Cc2nc[nH]c2CN1S(=O)(=O)c1cc(Cl)sc1Cl ZINC000274984908 532249802 /nfs/dbraw/zinc/24/98/02/532249802.db2.gz DPKWAQUEENIFPP-ZETCQYMHSA-N -1 1 382.250 1.978 20 0 GDADMM COC(=O)c1ncsc1S(=O)(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000275015155 532252922 /nfs/dbraw/zinc/25/29/22/532252922.db2.gz NWHVGLMMCXOSKW-KOLCDFICSA-N -1 1 384.435 1.670 20 0 GDADMM C[C@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCOC1)C(C)(F)F ZINC000349444508 532284225 /nfs/dbraw/zinc/28/42/25/532284225.db2.gz ABAXEBSNFWKWGB-NSHDSACASA-N -1 1 398.453 1.377 20 0 GDADMM CC[C@H]1[C@@H](C)CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ccccn1 ZINC000349452701 532287217 /nfs/dbraw/zinc/28/72/17/532287217.db2.gz DGHWSBNWMNSMDR-KBPBESRZSA-N -1 1 375.516 1.664 20 0 GDADMM Cc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C2CC(C)(C)C2)c1 ZINC000349454416 532288050 /nfs/dbraw/zinc/28/80/50/532288050.db2.gz GQYJTOCYNZTUBQ-UHFFFAOYSA-N -1 1 389.543 1.972 20 0 GDADMM Cc1ccc([C@H](O)C[N-]S(=O)(=O)c2nc(C)n(C)c2Br)o1 ZINC000288215818 532272563 /nfs/dbraw/zinc/27/25/63/532272563.db2.gz RAKHBLGLFMPCIA-SECBINFHSA-N -1 1 378.248 1.404 20 0 GDADMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 ZINC000392900115 532300184 /nfs/dbraw/zinc/30/01/84/532300184.db2.gz RYPACLRNIATWNS-OAHLLOKOSA-N -1 1 383.447 1.283 20 0 GDADMM O=C(CNC(=O)c1cc(I)ccc1[O-])NCC(F)F ZINC000393758253 532300807 /nfs/dbraw/zinc/30/08/07/532300807.db2.gz IDYAMVVOSLSKOT-UHFFFAOYSA-N -1 1 384.120 1.108 20 0 GDADMM CC(C)[C@@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000289475164 532325377 /nfs/dbraw/zinc/32/53/77/532325377.db2.gz HQVQLUAVZWPFLL-LDYMZIIASA-N -1 1 395.453 1.540 20 0 GDADMM CCO[C@@H]1C[C@]([N-]S(=O)(=O)c2cccc(F)c2F)(C(=O)OC)C1(C)C ZINC000275962749 532316269 /nfs/dbraw/zinc/31/62/69/532316269.db2.gz MJZLBRBIXNCIHS-WBMJQRKESA-N -1 1 377.409 1.990 20 0 GDADMM CCOCc1nc([C@@H](C)[N-]S(=O)(=O)c2cncc(Br)c2)no1 ZINC000289407934 532323312 /nfs/dbraw/zinc/32/33/12/532323312.db2.gz ARHAAFPWDCKQKN-MRVPVSSYSA-N -1 1 391.247 1.803 20 0 GDADMM COCC[C@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(=O)OC ZINC000289777660 532332056 /nfs/dbraw/zinc/33/20/56/532332056.db2.gz GWKPIFVPYATOPD-VIFPVBQESA-N -1 1 389.323 1.581 20 0 GDADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCC(=O)N(C)C)cc2)cc1 ZINC000024180233 207289558 /nfs/dbraw/zinc/28/95/58/207289558.db2.gz WNLKBYXIMKFVDF-UHFFFAOYSA-N -1 1 391.449 1.314 20 0 GDADMM CN1N=C(C(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)CCC1=O ZINC000736868612 598833705 /nfs/dbraw/zinc/83/37/05/598833705.db2.gz VJGODKNADBLERD-UHFFFAOYSA-N -1 1 395.448 1.820 20 0 GDADMM CCOC(=O)C1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000736593835 598872296 /nfs/dbraw/zinc/87/22/96/598872296.db2.gz KWHBMWZQHVJXLL-UHFFFAOYSA-N -1 1 399.860 1.484 20 0 GDADMM CCOC(=O)C1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000736593835 598872299 /nfs/dbraw/zinc/87/22/99/598872299.db2.gz KWHBMWZQHVJXLL-UHFFFAOYSA-N -1 1 399.860 1.484 20 0 GDADMM CN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736788188 598874154 /nfs/dbraw/zinc/87/41/54/598874154.db2.gz QKVQEMUMXSGWOR-UHFFFAOYSA-N -1 1 387.849 1.482 20 0 GDADMM CN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736788188 598874155 /nfs/dbraw/zinc/87/41/55/598874155.db2.gz QKVQEMUMXSGWOR-UHFFFAOYSA-N -1 1 387.849 1.482 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCN2CCCC[C@@H]2C1 ZINC000738354025 598874793 /nfs/dbraw/zinc/87/47/93/598874793.db2.gz GQCANIAYHYVFRC-LLVKDONJSA-N -1 1 382.877 1.379 20 0 GDADMM CC(C)C[C@H]1COCCN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000735795085 598875151 /nfs/dbraw/zinc/87/51/51/598875151.db2.gz KBPFLGMLYSWZQQ-NSHDSACASA-N -1 1 385.877 1.956 20 0 GDADMM CC(C)C[C@H]1COCCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000735795085 598875153 /nfs/dbraw/zinc/87/51/53/598875153.db2.gz KBPFLGMLYSWZQQ-NSHDSACASA-N -1 1 385.877 1.956 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC[C@@H](O)c2ccsc2)cc1-c1nn[n-]n1 ZINC000737187310 598891959 /nfs/dbraw/zinc/89/19/59/598891959.db2.gz PYWUTSVKWWIXEX-SNVBAGLBSA-N -1 1 378.439 1.214 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CCc3n[nH]cc3C2)c1-c1nn[n-]n1 ZINC000737188847 598913122 /nfs/dbraw/zinc/91/31/22/598913122.db2.gz HOEDURYWLSWVOJ-LLVKDONJSA-N -1 1 396.480 1.871 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H]1CCN(C(C)C)C1=O ZINC000737548952 598928060 /nfs/dbraw/zinc/92/80/60/598928060.db2.gz RTPMJVGNOSGMDR-GFCCVEGCSA-N -1 1 383.412 1.298 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1CCN(C(C)C)C1=O ZINC000737548952 598928061 /nfs/dbraw/zinc/92/80/61/598928061.db2.gz RTPMJVGNOSGMDR-GFCCVEGCSA-N -1 1 383.412 1.298 20 0 GDADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1cccc(C[S@@](C)=O)c1 ZINC000737225360 598950382 /nfs/dbraw/zinc/95/03/82/598950382.db2.gz MSUMBMCJIVLZSH-RUZDIDTESA-N -1 1 391.478 1.854 20 0 GDADMM CC(C)N(C)C(=O)C1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000735857556 598957754 /nfs/dbraw/zinc/95/77/54/598957754.db2.gz VDVIFMHBODUGNK-UHFFFAOYSA-N -1 1 380.456 1.893 20 0 GDADMM CC(C)N(C)C(=O)C1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000735857556 598957756 /nfs/dbraw/zinc/95/77/56/598957756.db2.gz VDVIFMHBODUGNK-UHFFFAOYSA-N -1 1 380.456 1.893 20 0 GDADMM CS(=O)(=O)Nc1ccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000737167604 598959982 /nfs/dbraw/zinc/95/99/82/598959982.db2.gz DRWKARIVKBULNX-UHFFFAOYSA-N -1 1 396.436 1.794 20 0 GDADMM CS(=O)(=O)Nc1ccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000737167604 598959983 /nfs/dbraw/zinc/95/99/83/598959983.db2.gz DRWKARIVKBULNX-UHFFFAOYSA-N -1 1 396.436 1.794 20 0 GDADMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2C)cc1 ZINC000821663906 607254805 /nfs/dbraw/zinc/25/48/05/607254805.db2.gz SUTJLBSVSNWNGF-UHFFFAOYSA-N -1 1 387.421 1.691 20 0 GDADMM Cc1c([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)cccc1-c1nn[nH]n1 ZINC000822130100 607255964 /nfs/dbraw/zinc/25/59/64/607255964.db2.gz PTLOJBWPMPSPNA-UHFFFAOYSA-N -1 1 393.450 1.379 20 0 GDADMM CCCN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736472031 598981981 /nfs/dbraw/zinc/98/19/81/598981981.db2.gz RYAFCHHJVVYLDF-AWEZNQCLSA-N -1 1 380.408 1.954 20 0 GDADMM CCCN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736472031 598981985 /nfs/dbraw/zinc/98/19/85/598981985.db2.gz RYAFCHHJVVYLDF-AWEZNQCLSA-N -1 1 380.408 1.954 20 0 GDADMM CCOC(=O)C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc(OC)c1 ZINC000736595241 598994120 /nfs/dbraw/zinc/99/41/20/598994120.db2.gz VZNMDDAHGNGCLW-MRXNPFEDSA-N -1 1 396.407 1.695 20 0 GDADMM CCOC(=O)C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc(OC)c1 ZINC000736595241 598994121 /nfs/dbraw/zinc/99/41/21/598994121.db2.gz VZNMDDAHGNGCLW-MRXNPFEDSA-N -1 1 396.407 1.695 20 0 GDADMM CN(C(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1)[C@H]1CCCc2ccccc21 ZINC000736737439 598994220 /nfs/dbraw/zinc/99/42/20/598994220.db2.gz SHURFPGBFGALQY-KRWDZBQOSA-N -1 1 392.419 1.955 20 0 GDADMM CN(C(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1)[C@H]1CCCc2ccccc21 ZINC000736737439 598994222 /nfs/dbraw/zinc/99/42/22/598994222.db2.gz SHURFPGBFGALQY-KRWDZBQOSA-N -1 1 392.419 1.955 20 0 GDADMM CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735625311 598998281 /nfs/dbraw/zinc/99/82/81/598998281.db2.gz CMWGTBXXZZWTCL-CYBMUJFWSA-N -1 1 387.444 1.781 20 0 GDADMM CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735625311 598998282 /nfs/dbraw/zinc/99/82/82/598998282.db2.gz CMWGTBXXZZWTCL-CYBMUJFWSA-N -1 1 387.444 1.781 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000736293767 599005816 /nfs/dbraw/zinc/00/58/16/599005816.db2.gz VCXRKABANJFZHL-TXEJJXNPSA-N -1 1 387.444 1.732 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000736293767 599005818 /nfs/dbraw/zinc/00/58/18/599005818.db2.gz VCXRKABANJFZHL-TXEJJXNPSA-N -1 1 387.444 1.732 20 0 GDADMM O=S(=O)(NC1(c2cccc(Cl)c2)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738331547 599010065 /nfs/dbraw/zinc/01/00/65/599010065.db2.gz VBCCFGJTVVNECB-UHFFFAOYSA-N -1 1 376.829 1.883 20 0 GDADMM O=S(=O)(NC1(c2cccc(Cl)c2)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738331547 599010066 /nfs/dbraw/zinc/01/00/66/599010066.db2.gz VBCCFGJTVVNECB-UHFFFAOYSA-N -1 1 376.829 1.883 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000738258205 599021347 /nfs/dbraw/zinc/02/13/47/599021347.db2.gz ICJCTLXCLNKSLF-UHFFFAOYSA-N -1 1 395.398 1.389 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000738258205 599021349 /nfs/dbraw/zinc/02/13/49/599021349.db2.gz ICJCTLXCLNKSLF-UHFFFAOYSA-N -1 1 395.398 1.389 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000738259575 599023133 /nfs/dbraw/zinc/02/31/33/599023133.db2.gz RRUXPNIVWNBBQG-UHFFFAOYSA-N -1 1 392.448 1.834 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000738259575 599023136 /nfs/dbraw/zinc/02/31/36/599023136.db2.gz RRUXPNIVWNBBQG-UHFFFAOYSA-N -1 1 392.448 1.834 20 0 GDADMM CC1CCN(c2ccc(CNC(=O)c3ccc(-c4nnn[n-]4)nc3)cn2)CC1 ZINC000736277675 599023430 /nfs/dbraw/zinc/02/34/30/599023430.db2.gz BJVRJANZISWHJW-UHFFFAOYSA-N -1 1 378.440 1.823 20 0 GDADMM CC1CCN(c2ccc(CNC(=O)c3ccc(-c4nn[n-]n4)nc3)cn2)CC1 ZINC000736277675 599023431 /nfs/dbraw/zinc/02/34/31/599023431.db2.gz BJVRJANZISWHJW-UHFFFAOYSA-N -1 1 378.440 1.823 20 0 GDADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc(-n2ccnc2)nc1 ZINC000737223729 599029504 /nfs/dbraw/zinc/02/95/04/599029504.db2.gz DKIUWXZUNOFFGR-UHFFFAOYSA-N -1 1 382.409 1.557 20 0 GDADMM CCOC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736591591 599030740 /nfs/dbraw/zinc/03/07/40/599030740.db2.gz WDYFVMLQKXNPGA-MRXNPFEDSA-N -1 1 380.408 1.508 20 0 GDADMM CCOC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736591591 599030742 /nfs/dbraw/zinc/03/07/42/599030742.db2.gz WDYFVMLQKXNPGA-MRXNPFEDSA-N -1 1 380.408 1.508 20 0 GDADMM Cc1noc([C@@H]2CCCN(S(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)C2)n1 ZINC000737534920 599033421 /nfs/dbraw/zinc/03/34/21/599033421.db2.gz ODVCJJZZLXCXCR-SNVBAGLBSA-N -1 1 393.404 1.266 20 0 GDADMM Cc1noc([C@@H]2CCCN(S(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)C2)n1 ZINC000737534920 599033424 /nfs/dbraw/zinc/03/34/24/599033424.db2.gz ODVCJJZZLXCXCR-SNVBAGLBSA-N -1 1 393.404 1.266 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC[C@H](O)c2ccc(C)o2)cc1-c1nn[n-]n1 ZINC000737187324 599056202 /nfs/dbraw/zinc/05/62/02/599056202.db2.gz QFJSBCLOKGWGHN-JTQLQIEISA-N -1 1 376.398 1.054 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCC(=O)c1cnn(C)c1 ZINC000737548387 599057193 /nfs/dbraw/zinc/05/71/93/599057193.db2.gz PKZZZQQWDMDLLY-UHFFFAOYSA-N -1 1 381.352 1.332 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCC(=O)c1cnn(C)c1 ZINC000737548387 599057196 /nfs/dbraw/zinc/05/71/96/599057196.db2.gz PKZZZQQWDMDLLY-UHFFFAOYSA-N -1 1 381.352 1.332 20 0 GDADMM C[C@@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)nc3ccccc32)C(=O)N1c1cnn(C)c1 ZINC000820667905 599098574 /nfs/dbraw/zinc/09/85/74/599098574.db2.gz OSAICRUYEVHXSR-PIGZYNQJSA-N -1 1 389.423 1.176 20 0 GDADMM C[C@@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)nc3ccccc32)C(=O)N1c1cnn(C)c1 ZINC000820667905 599098576 /nfs/dbraw/zinc/09/85/76/599098576.db2.gz OSAICRUYEVHXSR-PIGZYNQJSA-N -1 1 389.423 1.176 20 0 GDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CCCCCNC(=O)NC1CCCCC1 ZINC000737778175 599106907 /nfs/dbraw/zinc/10/69/07/599106907.db2.gz XRKFRGHXEPRZKE-UHFFFAOYSA-N -1 1 389.464 1.478 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)NC(=O)Nc1ccccc1F ZINC000736159217 599138461 /nfs/dbraw/zinc/13/84/61/599138461.db2.gz VYQULICITSENKO-SECBINFHSA-N -1 1 399.342 1.294 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)NC(=O)Nc1ccccc1F ZINC000736159217 599138463 /nfs/dbraw/zinc/13/84/63/599138463.db2.gz VYQULICITSENKO-SECBINFHSA-N -1 1 399.342 1.294 20 0 GDADMM C[C@@H]1[C@@H](C)[S@@](=O)CCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000820643167 599345021 /nfs/dbraw/zinc/34/50/21/599345021.db2.gz RCLFUUQMNGKDII-LVPZIMMTSA-N -1 1 389.890 1.050 20 0 GDADMM CCc1ccc([C@H](C)NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736690147 599140736 /nfs/dbraw/zinc/14/07/36/599140736.db2.gz YSZWWAAONYTYCS-LBPRGKRZSA-N -1 1 380.408 1.858 20 0 GDADMM CCc1ccc([C@H](C)NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736690147 599140738 /nfs/dbraw/zinc/14/07/38/599140738.db2.gz YSZWWAAONYTYCS-LBPRGKRZSA-N -1 1 380.408 1.858 20 0 GDADMM Cc1cccc(OCCNC(=O)[C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737410109 599141246 /nfs/dbraw/zinc/14/12/46/599141246.db2.gz FLRJNEWRDCRTTO-ZDUSSCGKSA-N -1 1 396.407 1.311 20 0 GDADMM Cc1cccc(OCCNC(=O)[C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737410109 599141249 /nfs/dbraw/zinc/14/12/49/599141249.db2.gz FLRJNEWRDCRTTO-ZDUSSCGKSA-N -1 1 396.407 1.311 20 0 GDADMM CCOC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Br)ccc21 ZINC000736598334 599166894 /nfs/dbraw/zinc/16/68/94/599166894.db2.gz ATDMETLBIFPKER-UHFFFAOYSA-N -1 1 378.186 1.507 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(Nc2ccc(OC3CCCCC3)cc2)n(C)c1=O ZINC000737595849 599169809 /nfs/dbraw/zinc/16/98/09/599169809.db2.gz LUHZAHQJAONKFC-UHFFFAOYSA-N -1 1 397.439 1.719 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000822534839 599207696 /nfs/dbraw/zinc/20/76/96/599207696.db2.gz APOKFOMRRXKDQV-CYZMBNFOSA-N -1 1 395.423 1.298 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000822534839 599207699 /nfs/dbraw/zinc/20/76/99/599207699.db2.gz APOKFOMRRXKDQV-CYZMBNFOSA-N -1 1 395.423 1.298 20 0 GDADMM O=C([O-])C1(NCC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)CCCC1 ZINC000532881502 597079244 /nfs/dbraw/zinc/07/92/44/597079244.db2.gz MXPDVNXFMVUHFT-UHFFFAOYSA-N -1 1 379.501 1.615 20 0 GDADMM O=C([O-])C[C@H]1CCCN(CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000610897003 597083126 /nfs/dbraw/zinc/08/31/26/597083126.db2.gz SEQDANGHZJXZCJ-GFCCVEGCSA-N -1 1 377.397 1.293 20 0 GDADMM CNS(=O)(=O)c1cc(NC(=O)CN2CCC[C@@H](CC(=O)[O-])C2)ccc1C ZINC000532712861 597087844 /nfs/dbraw/zinc/08/78/44/597087844.db2.gz YYULZFJTVDQVHM-ZDUSSCGKSA-N -1 1 383.470 1.028 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)N2CCNC(=O)C[C@@H]2C)c1-c1nn[n-]n1 ZINC000737188877 599243774 /nfs/dbraw/zinc/24/37/74/599243774.db2.gz HZLPPSBYLXXHIK-VIFPVBQESA-N -1 1 387.469 1.212 20 0 GDADMM Cc1ccc(NC(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)cn1 ZINC000822249022 607274841 /nfs/dbraw/zinc/27/48/41/607274841.db2.gz YNKFGFQOMPVNTG-UHFFFAOYSA-N -1 1 395.427 1.790 20 0 GDADMM O=C([O-])CCNC(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000821525362 598161230 /nfs/dbraw/zinc/16/12/30/598161230.db2.gz PYKNSADUDVEJPU-UHFFFAOYSA-N -1 1 386.145 1.337 20 0 GDADMM CCn1c(Sc2cccc(F)c2-c2nn[n-]n2)nnc1N1CCOCC1 ZINC000736712751 598236743 /nfs/dbraw/zinc/23/67/43/598236743.db2.gz AKYIQJAVBZIRLU-UHFFFAOYSA-N -1 1 376.421 1.605 20 0 GDADMM CC(C)CCS(=O)(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000735820266 598252008 /nfs/dbraw/zinc/25/20/08/598252008.db2.gz RLRNTMDYHWMXLN-UHFFFAOYSA-N -1 1 395.489 1.230 20 0 GDADMM O=S(=O)(N[C@@H](c1ccccc1)c1ccccn1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738328925 598261220 /nfs/dbraw/zinc/26/12/20/598261220.db2.gz KHQVVVZEUYZJEF-KRWDZBQOSA-N -1 1 393.432 1.725 20 0 GDADMM O=S(=O)(N[C@@H](c1ccccc1)c1ccccn1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738328925 598261222 /nfs/dbraw/zinc/26/12/22/598261222.db2.gz KHQVVVZEUYZJEF-KRWDZBQOSA-N -1 1 393.432 1.725 20 0 GDADMM CN(Cc1nc2ccccc2s1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736831756 598262043 /nfs/dbraw/zinc/26/20/43/598262043.db2.gz UDGCWKWBPJHEIY-UHFFFAOYSA-N -1 1 387.450 1.692 20 0 GDADMM CN(Cc1nc2ccccc2s1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736831756 598262044 /nfs/dbraw/zinc/26/20/44/598262044.db2.gz UDGCWKWBPJHEIY-UHFFFAOYSA-N -1 1 387.450 1.692 20 0 GDADMM O=S(=O)(N[C@H]1CCSc2ccc(F)cc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000738341121 598262768 /nfs/dbraw/zinc/26/27/68/598262768.db2.gz BIGXXCNPNHILPQ-LBPRGKRZSA-N -1 1 392.441 1.916 20 0 GDADMM O=S(=O)(N[C@H]1CCSc2ccc(F)cc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000738341121 598262769 /nfs/dbraw/zinc/26/27/69/598262769.db2.gz BIGXXCNPNHILPQ-LBPRGKRZSA-N -1 1 392.441 1.916 20 0 GDADMM Cc1[nH]c2ccc(CNS(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)cc2c1C ZINC000737200444 598268983 /nfs/dbraw/zinc/26/89/83/598268983.db2.gz ULUSCUAGSNHBBL-UHFFFAOYSA-N -1 1 383.437 1.838 20 0 GDADMM Cc1[nH]c2ccc(CNS(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)cc2c1C ZINC000737200444 598268985 /nfs/dbraw/zinc/26/89/85/598268985.db2.gz ULUSCUAGSNHBBL-UHFFFAOYSA-N -1 1 383.437 1.838 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCc2ccc3c(c2)CCO3)cc1-c1nn[n-]n1 ZINC000737188100 598288408 /nfs/dbraw/zinc/28/84/08/598288408.db2.gz YSKYRENLWDDFKB-UHFFFAOYSA-N -1 1 384.421 1.554 20 0 GDADMM C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2Oc2ncccc2-c2nn[n-]n2)C1 ZINC000736278235 598304995 /nfs/dbraw/zinc/30/49/95/598304995.db2.gz PUTTXDXLONHWHN-LBPRGKRZSA-N -1 1 393.407 1.861 20 0 GDADMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2nc(-c3ccsc3)oc2C)c1=O ZINC000736719161 598363606 /nfs/dbraw/zinc/36/36/06/598363606.db2.gz PUCMRJLIFWUFAA-UHFFFAOYSA-N -1 1 385.409 1.283 20 0 GDADMM CCc1nn(C[C@H](O)COc2cc(C)ccc2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706573 598373962 /nfs/dbraw/zinc/37/39/62/598373962.db2.gz XVBTYVMSYZPUJC-AWEZNQCLSA-N -1 1 398.467 1.605 20 0 GDADMM O=C(CNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1)NC1CC1 ZINC000737892609 598394895 /nfs/dbraw/zinc/39/48/95/598394895.db2.gz XKJSHYWHWIMQKY-UHFFFAOYSA-N -1 1 396.382 1.807 20 0 GDADMM O=C(CNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1)NC1CC1 ZINC000737892609 598394897 /nfs/dbraw/zinc/39/48/97/598394897.db2.gz XKJSHYWHWIMQKY-UHFFFAOYSA-N -1 1 396.382 1.807 20 0 GDADMM C[C@@H](Oc1ccc(F)cc1Br)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000736174743 598404804 /nfs/dbraw/zinc/40/48/04/598404804.db2.gz OCBWDBUNNSOXME-ZCFIWIBFSA-N -1 1 396.180 1.655 20 0 GDADMM Cc1cc(C(=O)OCC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)on1 ZINC000737243691 598408566 /nfs/dbraw/zinc/40/85/66/598408566.db2.gz VHUATOLAWFIQJB-UHFFFAOYSA-N -1 1 394.351 1.144 20 0 GDADMM Cc1cc(C(=O)OCC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)on1 ZINC000737243691 598408569 /nfs/dbraw/zinc/40/85/69/598408569.db2.gz VHUATOLAWFIQJB-UHFFFAOYSA-N -1 1 394.351 1.144 20 0 GDADMM O=C(COC(=O)C[C@H]1CCCO1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000737904356 598408819 /nfs/dbraw/zinc/40/88/19/598408819.db2.gz BQZMXDROHXIUDF-CYBMUJFWSA-N -1 1 397.395 1.103 20 0 GDADMM O=C(COC(=O)C[C@H]1CCCO1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737904356 598408821 /nfs/dbraw/zinc/40/88/21/598408821.db2.gz BQZMXDROHXIUDF-CYBMUJFWSA-N -1 1 397.395 1.103 20 0 GDADMM CCCCN(C)c1ccc(Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1 ZINC000736453896 598427052 /nfs/dbraw/zinc/42/70/52/598427052.db2.gz RXMLBAJYISJJMN-UHFFFAOYSA-N -1 1 384.444 1.244 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCC2(c3ccc(Cl)cc3)CC2)n(C)c1=O ZINC000737596397 598459367 /nfs/dbraw/zinc/45/93/67/598459367.db2.gz MYCKXVMWWMOUOT-UHFFFAOYSA-N -1 1 387.831 1.061 20 0 GDADMM CC[C@@H](NCc1cnc2c(-c3nnn[n-]3)cnn2c1)c1nnc2n1CCCCC2 ZINC000736370930 598492822 /nfs/dbraw/zinc/49/28/22/598492822.db2.gz UFJIBVPTJLZJNR-CQSZACIVSA-N -1 1 393.459 1.468 20 0 GDADMM CC[C@@H](NCc1cnc2c(-c3nn[n-]n3)cnn2c1)c1nnc2n1CCCCC2 ZINC000736370930 598492823 /nfs/dbraw/zinc/49/28/23/598492823.db2.gz UFJIBVPTJLZJNR-CQSZACIVSA-N -1 1 393.459 1.468 20 0 GDADMM COc1ccccc1CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000737152694 598504291 /nfs/dbraw/zinc/50/42/91/598504291.db2.gz NOMFQXXIBVLJGE-UHFFFAOYSA-N -1 1 390.403 1.507 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCCc2sc(C)nc2C)cc1-c1nn[n-]n1 ZINC000737186065 598512891 /nfs/dbraw/zinc/51/28/91/598512891.db2.gz FQXSMUPQCYHNKO-UHFFFAOYSA-N -1 1 391.482 1.735 20 0 GDADMM C[C@@H]1C[C@H]1NC(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000736241403 598528614 /nfs/dbraw/zinc/52/86/14/598528614.db2.gz XORYVVWEDPNPEU-GHMZBOCLSA-N -1 1 384.400 1.355 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCC(=O)NCC1CCC1 ZINC000737547757 598542089 /nfs/dbraw/zinc/54/20/89/598542089.db2.gz KLGZLXPGUCRGPM-UHFFFAOYSA-N -1 1 384.396 1.632 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCC(=O)NCC1CCC1 ZINC000737547757 598542092 /nfs/dbraw/zinc/54/20/92/598542092.db2.gz KLGZLXPGUCRGPM-UHFFFAOYSA-N -1 1 384.396 1.632 20 0 GDADMM C[C@@H]1Oc2ccc(C(=O)COC(=O)c3sccc3-c3nn[n-]n3)cc2NC1=O ZINC000736300940 598556865 /nfs/dbraw/zinc/55/68/65/598556865.db2.gz IARJWIOPRSDQMN-QMMMGPOBSA-N -1 1 399.388 1.687 20 0 GDADMM O=C1OC(c2ccc(F)cc2F)=NC1=Cc1cnc2c(-c3nnn[n-]3)cnn2c1 ZINC000738320987 598567275 /nfs/dbraw/zinc/56/72/75/598567275.db2.gz ULHQVZLHVCATBP-DXNYSGJVSA-N -1 1 394.301 1.532 20 0 GDADMM O=C1OC(c2ccc(F)cc2F)=NC1=Cc1cnc2c(-c3nn[n-]n3)cnn2c1 ZINC000738320987 598567276 /nfs/dbraw/zinc/56/72/76/598567276.db2.gz ULHQVZLHVCATBP-DXNYSGJVSA-N -1 1 394.301 1.532 20 0 GDADMM Nc1n[nH]c(CCCNC(=O)Nc2cccc(-n3cccc3)c2)c1-c1nnn[n-]1 ZINC000737775684 598584192 /nfs/dbraw/zinc/58/41/92/598584192.db2.gz AIZDSCXDJQCKBU-UHFFFAOYSA-N -1 1 392.427 1.717 20 0 GDADMM Nc1n[nH]c(CCCNC(=O)Nc2cccc(-n3cccc3)c2)c1-c1nn[n-]n1 ZINC000737775684 598584193 /nfs/dbraw/zinc/58/41/93/598584193.db2.gz AIZDSCXDJQCKBU-UHFFFAOYSA-N -1 1 392.427 1.717 20 0 GDADMM CCc1nn(CC(=O)c2ccc3c(c2)COC3)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706665 598642465 /nfs/dbraw/zinc/64/24/65/598642465.db2.gz YQZFICUKXPRBEA-UHFFFAOYSA-N -1 1 380.408 1.461 20 0 GDADMM CCc1nn(CC(=O)N([C@@H](C)C2CC2)C2CC2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705075 598643023 /nfs/dbraw/zinc/64/30/23/598643023.db2.gz CFQPSLIQASLHJZ-NSHDSACASA-N -1 1 385.472 1.338 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCO[C@H](c2ccccc2)C1 ZINC000738356172 598689471 /nfs/dbraw/zinc/68/94/71/598689471.db2.gz XVEHDEKAEMDLQX-INIZCTEOSA-N -1 1 389.412 1.768 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CCC[C@@H]2c2cnn(C)c2)cc1-c1nn[n-]n1 ZINC000737186130 598700410 /nfs/dbraw/zinc/70/04/10/598700410.db2.gz HSPUARJQVXZMKG-GFCCVEGCSA-N -1 1 386.441 1.400 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1ccc(OCCO)cc1 ZINC000737201864 598722921 /nfs/dbraw/zinc/72/29/21/598722921.db2.gz XEBDGZBZEXSPCQ-UHFFFAOYSA-N -1 1 398.423 1.527 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@@H](C)c2cnn(C(C)C)c2)cc1-c1nn[n-]n1 ZINC000737188056 598779695 /nfs/dbraw/zinc/77/96/95/598779695.db2.gz XBVPFSOVEJKUIP-VIFPVBQESA-N -1 1 388.457 1.958 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC[C@@]1(C)CCOC1 ZINC000737486332 598809748 /nfs/dbraw/zinc/80/97/48/598809748.db2.gz DGAALLCNXYCIQX-GOSISDBHSA-N -1 1 384.444 1.002 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC[C@@]1(C)CCOC1 ZINC000737486332 598809749 /nfs/dbraw/zinc/80/97/49/598809749.db2.gz DGAALLCNXYCIQX-GOSISDBHSA-N -1 1 384.444 1.002 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCO[C@H]2CCCC[C@H]21 ZINC000823601182 599338914 /nfs/dbraw/zinc/33/89/14/599338914.db2.gz VFKQHJWFQJWTJT-OLZOCXBDSA-N -1 1 383.861 1.852 20 0 GDADMM CN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821594090 599342429 /nfs/dbraw/zinc/34/24/29/599342429.db2.gz YFRYQIQJBUERJO-UHFFFAOYSA-N -1 1 387.849 1.482 20 0 GDADMM C[C@@H]1[C@@H](C)[S@](=O)CCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000820643165 599345096 /nfs/dbraw/zinc/34/50/96/599345096.db2.gz RCLFUUQMNGKDII-DNKNOMGSSA-N -1 1 389.890 1.050 20 0 GDADMM O=S(=O)(NCc1coc(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823578270 599351057 /nfs/dbraw/zinc/35/10/57/599351057.db2.gz KUVXYBAVKBHSFM-UHFFFAOYSA-N -1 1 383.393 1.395 20 0 GDADMM O=S(=O)(NCc1coc(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823578270 599351061 /nfs/dbraw/zinc/35/10/61/599351061.db2.gz KUVXYBAVKBHSFM-UHFFFAOYSA-N -1 1 383.393 1.395 20 0 GDADMM CCO[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C12CCCC2 ZINC000821361917 599376593 /nfs/dbraw/zinc/37/65/93/599376593.db2.gz XWZVONWYTTUJME-ZIAGYGMSSA-N -1 1 378.458 1.278 20 0 GDADMM CCO[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C12CCCC2 ZINC000821361917 599376596 /nfs/dbraw/zinc/37/65/96/599376596.db2.gz XWZVONWYTTUJME-ZIAGYGMSSA-N -1 1 378.458 1.278 20 0 GDADMM O=C(Cc1c[nH]c2ccccc12)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000737954965 599412613 /nfs/dbraw/zinc/41/26/13/599412613.db2.gz UONGJDHVDFRZAP-UHFFFAOYSA-N -1 1 388.435 1.634 20 0 GDADMM O=C(Cc1c[nH]c2ccccc12)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000737954965 599412616 /nfs/dbraw/zinc/41/26/16/599412616.db2.gz UONGJDHVDFRZAP-UHFFFAOYSA-N -1 1 388.435 1.634 20 0 GDADMM CN(CCCOc1cccc(S(C)(=O)=O)c1)c1cccc(-c2nnn[n-]2)n1 ZINC000736797400 599420155 /nfs/dbraw/zinc/42/01/55/599420155.db2.gz HPNAPURHWVBJPW-UHFFFAOYSA-N -1 1 388.453 1.571 20 0 GDADMM CN(CCCOc1cccc(S(C)(=O)=O)c1)c1cccc(-c2nn[n-]n2)n1 ZINC000736797400 599420156 /nfs/dbraw/zinc/42/01/56/599420156.db2.gz HPNAPURHWVBJPW-UHFFFAOYSA-N -1 1 388.453 1.571 20 0 GDADMM Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)c2ccc(-c3nnn[n-]3)nc2)o1 ZINC000737524000 599549228 /nfs/dbraw/zinc/54/92/28/599549228.db2.gz ZCOOOURTVYMAEF-INIZCTEOSA-N -1 1 388.391 1.893 20 0 GDADMM Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)c2ccc(-c3nn[n-]n3)nc2)o1 ZINC000737524000 599549231 /nfs/dbraw/zinc/54/92/31/599549231.db2.gz ZCOOOURTVYMAEF-INIZCTEOSA-N -1 1 388.391 1.893 20 0 GDADMM CN1CC[C@@H](NC(=O)c2ccc(Oc3cccc(F)c3-c3nnn[n-]3)cc2)C1=O ZINC000736853851 599559722 /nfs/dbraw/zinc/55/97/22/599559722.db2.gz ACZMSRUWEZJNKP-CQSZACIVSA-N -1 1 396.382 1.759 20 0 GDADMM CN1CC[C@@H](NC(=O)c2ccc(Oc3cccc(F)c3-c3nn[n-]n3)cc2)C1=O ZINC000736853851 599559725 /nfs/dbraw/zinc/55/97/25/599559725.db2.gz ACZMSRUWEZJNKP-CQSZACIVSA-N -1 1 396.382 1.759 20 0 GDADMM C[C@H]1COCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000736295477 599593266 /nfs/dbraw/zinc/59/32/66/599593266.db2.gz ZAOBCAFKKPRRDJ-QMMMGPOBSA-N -1 1 377.348 1.295 20 0 GDADMM CC[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)cc1F ZINC000736370919 599595151 /nfs/dbraw/zinc/59/51/51/599595151.db2.gz UAXQHLVDMROMAM-CYBMUJFWSA-N -1 1 380.380 1.970 20 0 GDADMM CC[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)cc1F ZINC000736370919 599595153 /nfs/dbraw/zinc/59/51/53/599595153.db2.gz UAXQHLVDMROMAM-CYBMUJFWSA-N -1 1 380.380 1.970 20 0 GDADMM O=S(=O)(N[C@@H]1CCC[C@H]1Cc1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738342229 599596640 /nfs/dbraw/zinc/59/66/40/599596640.db2.gz ICHHJDVQFNDFBQ-GOEBONIOSA-N -1 1 384.465 1.951 20 0 GDADMM O=S(=O)(N[C@@H]1CCC[C@H]1Cc1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738342229 599596642 /nfs/dbraw/zinc/59/66/42/599596642.db2.gz ICHHJDVQFNDFBQ-GOEBONIOSA-N -1 1 384.465 1.951 20 0 GDADMM COc1ccccc1[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000737146116 599597096 /nfs/dbraw/zinc/59/70/96/599597096.db2.gz FZRVASRPIWVQEL-GFCCVEGCSA-N -1 1 386.437 1.449 20 0 GDADMM COc1ccccc1[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000737146116 599597098 /nfs/dbraw/zinc/59/70/98/599597098.db2.gz FZRVASRPIWVQEL-GFCCVEGCSA-N -1 1 386.437 1.449 20 0 GDADMM C[C@@H](CC(N)=O)NC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000820225824 599675313 /nfs/dbraw/zinc/67/53/13/599675313.db2.gz QAYAIIXZMZKWIR-JTQLQIEISA-N -1 1 385.453 1.658 20 0 GDADMM C[C@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C[C@H](C(F)(F)F)O1 ZINC000820769282 599682972 /nfs/dbraw/zinc/68/29/72/599682972.db2.gz RXJITDCKFINGHO-OIBJUYFYSA-N -1 1 395.338 1.346 20 0 GDADMM C[C@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C[C@H](C(F)(F)F)O1 ZINC000820769282 599682973 /nfs/dbraw/zinc/68/29/73/599682973.db2.gz RXJITDCKFINGHO-OIBJUYFYSA-N -1 1 395.338 1.346 20 0 GDADMM C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C[C@@H](C(F)(F)F)O1 ZINC000820769283 599683026 /nfs/dbraw/zinc/68/30/26/599683026.db2.gz RXJITDCKFINGHO-XCBNKYQSSA-N -1 1 395.338 1.346 20 0 GDADMM C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C[C@@H](C(F)(F)F)O1 ZINC000820769283 599683027 /nfs/dbraw/zinc/68/30/27/599683027.db2.gz RXJITDCKFINGHO-XCBNKYQSSA-N -1 1 395.338 1.346 20 0 GDADMM Cc1oc(NC(=O)CN2C[C@H](C(F)(F)F)O[C@@H](C)C2)c(-c2nn[n-]n2)c1C ZINC000822548992 599691429 /nfs/dbraw/zinc/69/14/29/599691429.db2.gz RAZLVJFQIKBBGY-OIBJUYFYSA-N -1 1 388.350 1.667 20 0 GDADMM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1Cc1ccc(OCC(N)=O)cc1 ZINC000736826292 599715999 /nfs/dbraw/zinc/71/59/99/599715999.db2.gz VETXKPCGJGJIJG-OAHLLOKOSA-N -1 1 383.448 1.960 20 0 GDADMM COc1ccccc1N(CCC(N)=O)C(=O)CN1CCCC[C@@H]1CC(=O)[O-] ZINC000650505321 599754348 /nfs/dbraw/zinc/75/43/48/599754348.db2.gz ZYXXPUBQGZRNAX-CQSZACIVSA-N -1 1 377.441 1.233 20 0 GDADMM CN1CCN(c2cc(C(=O)N[C@H](CC(=O)[O-])c3ccc(F)cc3)ccn2)CC1 ZINC000737528797 599762660 /nfs/dbraw/zinc/76/26/60/599762660.db2.gz PGWUPOKFKPHDCR-QGZVFWFLSA-N -1 1 386.427 1.918 20 0 GDADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000736653402 599854939 /nfs/dbraw/zinc/85/49/39/599854939.db2.gz ZDJRVZFQSPCOKI-NSHDSACASA-N -1 1 382.376 1.783 20 0 GDADMM CC(C)CN1CCO[C@@H](CNC(=O)COC(=O)c2ccccc2NC(=O)[O-])C1 ZINC000736443107 599868871 /nfs/dbraw/zinc/86/88/71/599868871.db2.gz OJSIBILIFDQJMN-AWEZNQCLSA-N -1 1 393.440 1.406 20 0 GDADMM CC(C)CN1CCO[C@H](CNC(=O)COc2ccc(C(=O)[O-])cc2C=O)C1 ZINC000736444031 599910072 /nfs/dbraw/zinc/91/00/72/599910072.db2.gz VMVWCIJFXFPIPN-MRXNPFEDSA-N -1 1 378.425 1.049 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392.368 1.950 20 0 GDADMM CCOC(=O)c1ccc(OS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000825565135 607575245 /nfs/dbraw/zinc/57/52/45/607575245.db2.gz MGADADWAYCTSLB-UHFFFAOYSA-N -1 1 392.368 1.950 20 0 GDADMM CN1CCN(C(C)(C)CNC(=O)N[C@H](CNC(=O)[O-])C2CCCCC2)CC1 ZINC000739735912 602614361 /nfs/dbraw/zinc/61/43/61/602614361.db2.gz WGDQBLXLWFVGCP-MRXNPFEDSA-N -1 1 383.537 1.528 20 0 GDADMM COc1ccc(NC(=O)[O-])c(NS(=O)(=O)c2cccc(-n3cnnn3)c2)c1 ZINC000739923298 602652256 /nfs/dbraw/zinc/65/22/56/602652256.db2.gz FTEKRUOOLRGJEF-UHFFFAOYSA-N -1 1 390.381 1.562 20 0 GDADMM CCN(Cc1cccc(NS(=O)(=O)c2cc(C(N)=O)n(C)c2)c1)C(=O)[O-] ZINC000739447783 602654177 /nfs/dbraw/zinc/65/41/77/602654177.db2.gz RHMOAYGRRRAIQK-UHFFFAOYSA-N -1 1 380.426 1.425 20 0 GDADMM O=C([O-])N1CCN(C(=O)[C@H]2CCCN(Cc3noc4c3CCCC4)C2)CC1 ZINC000740525286 602679978 /nfs/dbraw/zinc/67/99/78/602679978.db2.gz PBJRVZRFWYLMMM-AWEZNQCLSA-N -1 1 376.457 1.588 20 0 GDADMM CN1CCN(c2ccccc2NC(=O)NCC[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739737558 602689488 /nfs/dbraw/zinc/68/94/88/602689488.db2.gz ZEEGXEAMAUUDSE-OAHLLOKOSA-N -1 1 375.473 1.950 20 0 GDADMM O=C([O-])N1CC[C@H](CCNC(=O)NC2CCN(Cc3ccncc3)CC2)C1 ZINC000740431074 602703792 /nfs/dbraw/zinc/70/37/92/602703792.db2.gz XNHNTZWKHJZSQT-INIZCTEOSA-N -1 1 375.473 1.735 20 0 GDADMM COc1cccc([C@@H](CNC(=O)c2csc(CNC(=O)[O-])n2)N(C)C)c1 ZINC000739948409 602706694 /nfs/dbraw/zinc/70/66/94/602706694.db2.gz HMOHCKIGJWZYAN-CQSZACIVSA-N -1 1 378.454 1.952 20 0 GDADMM CCOc1ncccc1CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825659059 607583267 /nfs/dbraw/zinc/58/32/67/607583267.db2.gz NIZSQAGACJHKEB-UHFFFAOYSA-N -1 1 394.844 1.792 20 0 GDADMM CCOc1ncccc1CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825659059 607583269 /nfs/dbraw/zinc/58/32/69/607583269.db2.gz NIZSQAGACJHKEB-UHFFFAOYSA-N -1 1 394.844 1.792 20 0 GDADMM COCc1ccccc1CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826165516 607583822 /nfs/dbraw/zinc/58/38/22/607583822.db2.gz YPOBSQPECKAYIP-UHFFFAOYSA-N -1 1 377.401 1.631 20 0 GDADMM COCc1ccccc1CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826165516 607583825 /nfs/dbraw/zinc/58/38/25/607583825.db2.gz YPOBSQPECKAYIP-UHFFFAOYSA-N -1 1 377.401 1.631 20 0 GDADMM Cn1ncc2c1CCC[C@@H]2NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826366611 607585904 /nfs/dbraw/zinc/58/59/04/607585904.db2.gz QDOQFJOTGRANRU-LBPRGKRZSA-N -1 1 377.405 1.095 20 0 GDADMM C[C@@H]1CN(C(=O)NC2CCN(Cc3ccccn3)CC2)CC[C@@H]1NC(=O)[O-] ZINC000739136296 602818507 /nfs/dbraw/zinc/81/85/07/602818507.db2.gz RIOPVACHPJFMBM-PBHICJAKSA-N -1 1 375.473 1.734 20 0 GDADMM O=C([O-])N1CCOC[C@@H]1C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000740404499 602828175 /nfs/dbraw/zinc/82/81/75/602828175.db2.gz AULQWSPLRVZTKQ-JKSUJKDBSA-N -1 1 381.860 1.972 20 0 GDADMM O=C([O-])N(CC(=O)NC1CCN(Cc2ccccn2)CC1)C[C@@H]1CCCO1 ZINC000740364979 602852586 /nfs/dbraw/zinc/85/25/86/602852586.db2.gz MKPDDPWHFXLXME-KRWDZBQOSA-N -1 1 376.457 1.321 20 0 GDADMM COc1ccccc1[C@@H](CNC(=O)N1CCN(C)C[C@@H]1C(C)C)NC(=O)[O-] ZINC000739960045 602907248 /nfs/dbraw/zinc/90/72/48/602907248.db2.gz DFQRXVOBISLLLE-HZPDHXFCSA-N -1 1 378.473 1.986 20 0 GDADMM C[C@H]1CN2CCCC[C@H]2CN1C(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1 ZINC000739198429 602981278 /nfs/dbraw/zinc/98/12/78/602981278.db2.gz MKPSLEAUFKHVIP-ZFWWWQNUSA-N -1 1 376.461 1.292 20 0 GDADMM CCOc1ccc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000825638391 607598628 /nfs/dbraw/zinc/59/86/28/607598628.db2.gz KQRPZPRVRUOVNP-UHFFFAOYSA-N -1 1 377.401 1.883 20 0 GDADMM CCOc1ccc(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000825638391 607598630 /nfs/dbraw/zinc/59/86/30/607598630.db2.gz KQRPZPRVRUOVNP-UHFFFAOYSA-N -1 1 377.401 1.883 20 0 GDADMM O=C([O-])NC[C@@H]1CCCC[C@H]1NC(=O)CCNC(=O)c1n[nH]c2ccccc21 ZINC000740622471 602991521 /nfs/dbraw/zinc/99/15/21/602991521.db2.gz CGOCXECVUOHRAG-GXTWGEPZSA-N -1 1 387.440 1.625 20 0 GDADMM Cc1cccc(S(=O)(=O)Oc2cc(Cl)ccc2C(N)=O)c1-c1nn[n-]n1 ZINC000826304167 607601246 /nfs/dbraw/zinc/60/12/46/607601246.db2.gz ZNKRRDOAKRKBGM-UHFFFAOYSA-N -1 1 393.812 1.695 20 0 GDADMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1)c1ccccc1 ZINC000826111337 607602437 /nfs/dbraw/zinc/60/24/37/607602437.db2.gz DBPYKNQAVPPLSP-CQSZACIVSA-N -1 1 391.384 1.198 20 0 GDADMM COc1ccc(OS(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c(C(N)=O)c1 ZINC000826211780 607602450 /nfs/dbraw/zinc/60/24/50/607602450.db2.gz UHNMCKGAFMYLSU-UHFFFAOYSA-N -1 1 389.393 1.050 20 0 GDADMM O=C([O-])NC[C@@H](NC(=O)CCn1c(=O)c2ccccc2[nH]c1=S)C1CC1 ZINC000740601708 603047349 /nfs/dbraw/zinc/04/73/49/603047349.db2.gz OARLRAJHYMQHAX-CYBMUJFWSA-N -1 1 376.438 1.238 20 0 GDADMM O=S(=O)(NCc1ccc2c(c1)CCO2)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826491977 607604196 /nfs/dbraw/zinc/60/41/96/607604196.db2.gz MPXUYHXJTHJZRO-UHFFFAOYSA-N -1 1 375.385 1.419 20 0 GDADMM Cn1c(=O)c2ccc(C(=O)NC3CCC(NC(=O)[O-])CC3)cc2[nH]c1=S ZINC000740280405 603072558 /nfs/dbraw/zinc/07/25/58/603072558.db2.gz AYCWFMMYFYJHNB-UHFFFAOYSA-N -1 1 376.438 1.531 20 0 GDADMM CC(C)[C@@H]([N-]S(=O)(=O)c1ccccc1-c1nn[nH]n1)c1nc(C2CC2)no1 ZINC000824200971 607605830 /nfs/dbraw/zinc/60/58/30/607605830.db2.gz VFBGFUPSXTYCEP-CYBMUJFWSA-N -1 1 389.441 1.803 20 0 GDADMM C[C@@H]1CN(CCCNC(=O)C2(NC(=O)[O-])Cc3ccccc3C2)C[C@@H](C)O1 ZINC000739183335 603112041 /nfs/dbraw/zinc/11/20/41/603112041.db2.gz RIDOCSGFGJTDMR-HUUCEWRRSA-N -1 1 375.469 1.407 20 0 GDADMM CC(C)(C(=O)NC1CCN(Cc2ccncc2)CC1)N1CCN(C(=O)[O-])CC1 ZINC000738647477 603120136 /nfs/dbraw/zinc/12/01/36/603120136.db2.gz AHLWDEPDZIIRRC-UHFFFAOYSA-N -1 1 389.500 1.236 20 0 GDADMM CC(C)[C@](C)(CNC(=O)[O-])NC(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000738766597 603131092 /nfs/dbraw/zinc/13/10/92/603131092.db2.gz AXOQBUCHPJXHDE-SFHVURJKSA-N -1 1 392.481 1.874 20 0 GDADMM O=C1CCCCN1CCCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826480353 607610253 /nfs/dbraw/zinc/61/02/53/607610253.db2.gz YLNJZRDYGCDYQC-UHFFFAOYSA-N -1 1 398.876 1.201 20 0 GDADMM O=C1CCCCN1CCCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826480353 607610255 /nfs/dbraw/zinc/61/02/55/607610255.db2.gz YLNJZRDYGCDYQC-UHFFFAOYSA-N -1 1 398.876 1.201 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)CCn1c(=O)c2ccccc2[nH]c1=S)C(=O)[O-] ZINC000828192137 603158330 /nfs/dbraw/zinc/15/83/30/603158330.db2.gz RBPYKRBPIAYIJW-GFCCVEGCSA-N -1 1 390.465 1.676 20 0 GDADMM CN1CCN(C[C@H](NC(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)c2ccccc2)CC1 ZINC000739736563 603193681 /nfs/dbraw/zinc/19/36/81/603193681.db2.gz FSHAULUPHDRXLR-QYZOEREBSA-N -1 1 388.512 1.918 20 0 GDADMM Cc1nc(CN2CCN(C(=O)[C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)[O-])CC2)n[nH]1 ZINC000740217693 603226944 /nfs/dbraw/zinc/22/69/44/603226944.db2.gz ANJNTKDMXTVGDL-ILXRZTDVSA-N -1 1 376.461 1.068 20 0 GDADMM CN(CCCNC(=O)[O-])CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000739680967 603256427 /nfs/dbraw/zinc/25/64/27/603256427.db2.gz ARPKBCBBGVFOTK-UHFFFAOYSA-N -1 1 391.468 1.933 20 0 GDADMM COC(=O)[C@](C)(NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)C1CC1 ZINC000826098416 607619673 /nfs/dbraw/zinc/61/96/73/607619673.db2.gz DRNFNEJNPMCLAD-CQSZACIVSA-N -1 1 385.833 1.140 20 0 GDADMM COC(=O)[C@](C)(NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)C1CC1 ZINC000826098416 607619675 /nfs/dbraw/zinc/61/96/75/607619675.db2.gz DRNFNEJNPMCLAD-CQSZACIVSA-N -1 1 385.833 1.140 20 0 GDADMM Cc1ccc(N2CC[C@H](N3CCC[C@@H](C(=O)NCCNC(=O)[O-])C3)C2=O)cc1 ZINC000740130952 603330769 /nfs/dbraw/zinc/33/07/69/603330769.db2.gz QKOLCUSAQNDGJR-WBVHZDCISA-N -1 1 388.468 1.196 20 0 GDADMM CN(Cc1cccc(NC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)c1)C(=O)[O-] ZINC000739713063 603365846 /nfs/dbraw/zinc/36/58/46/603365846.db2.gz KYJVRAMDKJFWQY-IRXDYDNUSA-N -1 1 376.457 1.859 20 0 GDADMM O=C([O-])Nc1ccc(NC(=O)C(=O)N2CCC(CN3CCOCC3)CC2)cc1 ZINC000740703292 603393425 /nfs/dbraw/zinc/39/34/25/603393425.db2.gz KLAOCZCILUZULX-UHFFFAOYSA-N -1 1 390.440 1.286 20 0 GDADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)NCCN(CC)C(=O)[O-] ZINC000827419103 603393891 /nfs/dbraw/zinc/39/38/91/603393891.db2.gz XQNXFJBZELASEO-UHFFFAOYSA-N -1 1 393.488 1.959 20 0 GDADMM Cc1ccccc1CN1CCN(C(=O)CN2CC[C@H](NC(=O)[O-])[C@@H](C)C2)CC1 ZINC000740182151 603412505 /nfs/dbraw/zinc/41/25/05/603412505.db2.gz ASFCDRXYDAGZDN-HKUYNNGSSA-N -1 1 388.512 1.617 20 0 GDADMM CCN(CC(=O)N[C@]1(C(=O)OC)CCCN(Cc2ccccc2)C1)C(=O)[O-] ZINC000827002727 603444499 /nfs/dbraw/zinc/44/44/99/603444499.db2.gz QXIYCIVBHAUWNN-LJQANCHMSA-N -1 1 377.441 1.310 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCC[C@H]([C@@H](C)O)C1 ZINC000826328185 607629825 /nfs/dbraw/zinc/62/98/25/607629825.db2.gz IHWSAPVNIJNSRD-KGLIPLIRSA-N -1 1 398.471 1.078 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCC[C@H]([C@@H](C)O)C1 ZINC000826328185 607629826 /nfs/dbraw/zinc/62/98/26/607629826.db2.gz IHWSAPVNIJNSRD-KGLIPLIRSA-N -1 1 398.471 1.078 20 0 GDADMM CCCc1nnc([C@H]2CN(C(=O)NC[C@H]3CCCCN3C(=O)[O-])CCO2)[nH]1 ZINC000826953080 603491883 /nfs/dbraw/zinc/49/18/83/603491883.db2.gz BIEQSKMGXSLIDV-CHWSQXEVSA-N -1 1 380.449 1.373 20 0 GDADMM CCCc1n[nH]c([C@H]2CN(C(=O)NC[C@H]3CCCCN3C(=O)[O-])CCO2)n1 ZINC000826953080 603491888 /nfs/dbraw/zinc/49/18/88/603491888.db2.gz BIEQSKMGXSLIDV-CHWSQXEVSA-N -1 1 380.449 1.373 20 0 GDADMM CN1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)[C@@H](CNC(=O)[O-])C1 ZINC000828507627 603513483 /nfs/dbraw/zinc/51/34/83/603513483.db2.gz RBCKOZUMIXAMHS-ZDUSSCGKSA-N -1 1 377.832 1.754 20 0 GDADMM O=S(=O)(N[C@H](CCO)C1CCCCC1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826487156 607634461 /nfs/dbraw/zinc/63/44/61/607634461.db2.gz FRDCEQCCRHPNPK-CQSZACIVSA-N -1 1 383.449 1.615 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)Nc2cccc(CN(C)C(=O)[O-])c2)cn1C ZINC000828760876 603544585 /nfs/dbraw/zinc/54/45/85/603544585.db2.gz JTGSKTSRYOOGEW-UHFFFAOYSA-N -1 1 381.410 1.722 20 0 GDADMM Cc1c(C(=O)N2CCC(c3nc[nH]n3)CC2)nnn1C1CCN(C(=O)[O-])CC1 ZINC000829843729 603561850 /nfs/dbraw/zinc/56/18/50/603561850.db2.gz GRFIASPTQQRIMV-UHFFFAOYSA-N -1 1 388.432 1.039 20 0 GDADMM O=C([O-])N[C@H](CC(=O)N1CCN(C[C@@H]2CCOC2)CC1)Cc1ccccc1 ZINC000832098893 603583164 /nfs/dbraw/zinc/58/31/64/603583164.db2.gz JBWBLVZIQBKKSX-ROUUACIJSA-N -1 1 375.469 1.436 20 0 GDADMM COc1ccccc1[C@@H](NC(=O)[O-])C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000829605198 603584442 /nfs/dbraw/zinc/58/44/42/603584442.db2.gz WGSAFNLWMDGWDS-RHSMWYFYSA-N -1 1 377.441 1.185 20 0 GDADMM CN(C(=O)[O-])[C@H]1CCN(C(=O)NCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000827854074 603613321 /nfs/dbraw/zinc/61/33/21/603613321.db2.gz YQSGOGBFGSZFBX-SFHVURJKSA-N -1 1 389.500 1.198 20 0 GDADMM COc1ccc([C@H](CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])N2CCCC2)cc1 ZINC000829309739 603632687 /nfs/dbraw/zinc/63/26/87/603632687.db2.gz DKGKMOMYPXKYOB-OIISXLGYSA-N -1 1 377.441 1.062 20 0 GDADMM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000831629166 603635543 /nfs/dbraw/zinc/63/55/43/603635543.db2.gz YAQASXXUGQCHEU-VBNZEHGJSA-N -1 1 381.860 1.706 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cccc(CN3CCN(C)CC3)c2)[C@H]1CNC(=O)[O-] ZINC000825918157 603692522 /nfs/dbraw/zinc/69/25/22/603692522.db2.gz CWFWJQHOWCIICG-LPHOPBHVSA-N -1 1 388.512 1.942 20 0 GDADMM COc1ccc(CN2CCCN(C(=O)COC3CN(C(=O)[O-])C3)CC2)cc1 ZINC000829361947 603742772 /nfs/dbraw/zinc/74/27/72/603742772.db2.gz IDDBNZJPEMAKHB-UHFFFAOYSA-N -1 1 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BVKUCEKKIYSRFB-SECBINFHSA-N -1 1 392.828 1.891 20 0 GDADMM O=C([O-])NCC(=O)NCC(=O)Nc1cc(Br)cc(Cl)c1O ZINC000834197874 605395628 /nfs/dbraw/zinc/39/56/28/605395628.db2.gz CJBNNRJMEPKJNP-UHFFFAOYSA-N -1 1 380.582 1.130 20 0 GDADMM Cc1nc(S(=O)(=O)NC[C@@H]2CCN(C(=O)[O-])C2)sc1Br ZINC000833916336 605426678 /nfs/dbraw/zinc/42/66/78/605426678.db2.gz QCVXEOTUVSKKNT-ZETCQYMHSA-N -1 1 384.277 1.492 20 0 GDADMM C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833514973 605511306 /nfs/dbraw/zinc/51/13/06/605511306.db2.gz IDTNUAKYVOILTD-KBPBESRZSA-N -1 1 386.493 1.480 20 0 GDADMM CCN(CCNC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)C(=O)[O-] ZINC000827141648 605611563 /nfs/dbraw/zinc/61/15/63/605611563.db2.gz NZSWDRGMTZWCSH-IAGOWNOFSA-N -1 1 378.473 1.169 20 0 GDADMM COC(=O)c1ccc(S(=O)(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)cn1 ZINC000833879949 605626785 /nfs/dbraw/zinc/62/67/85/605626785.db2.gz BJHLFSCBPRUBGV-JTQLQIEISA-N -1 1 379.394 1.998 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCCC[C@H]1CCCc1ccccc1 ZINC000826425317 607771264 /nfs/dbraw/zinc/77/12/64/607771264.db2.gz YANPXICTQAAYLE-INIZCTEOSA-N -1 1 380.456 1.862 20 0 GDADMM CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc(I)c([O-])c1 ZINC000529864436 649960948 /nfs/dbraw/zinc/96/09/48/649960948.db2.gz VNCYTERUSCZXOO-NSHDSACASA-N -1 1 388.205 1.690 20 0 GDADMM O=C([O-])N(CCNC(=O)N1CCC(CCCN2CCOCC2)CC1)C1CC1 ZINC000834040631 605760232 /nfs/dbraw/zinc/76/02/32/605760232.db2.gz GLPUCCMICKWMTP-UHFFFAOYSA-N -1 1 382.505 1.663 20 0 GDADMM NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1cc(Cl)cc(Br)c1O ZINC000833983998 605762480 /nfs/dbraw/zinc/76/24/80/605762480.db2.gz ZKMZKLUPKNESQG-SSDOTTSWSA-N -1 1 380.582 1.258 20 0 GDADMM Cc1nc(S(=O)(=O)N[C@H](CNC(=O)[O-])C2CC2)sc1Br ZINC000833916969 605783758 /nfs/dbraw/zinc/78/37/58/605783758.db2.gz UVNPUKNNOXQFMI-SSDOTTSWSA-N -1 1 384.277 1.539 20 0 GDADMM O=C([O-])N1CC[C@H](CCNC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)C1 ZINC000834072846 605822957 /nfs/dbraw/zinc/82/29/57/605822957.db2.gz HKXVLUPPDBLKBF-GXTWGEPZSA-N -1 1 376.461 1.961 20 0 GDADMM C[C@@H]1C[C@H](CNC(=O)[O-])CN1CC(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000833831724 605904562 /nfs/dbraw/zinc/90/45/62/605904562.db2.gz OYSKEGIMJBTBQE-NVXWUHKLSA-N -1 1 390.484 1.435 20 0 GDADMM COCCN1CC[C@H](NC(=O)C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])C1 ZINC000833724637 605923150 /nfs/dbraw/zinc/92/31/50/605923150.db2.gz QGGDTIZNRSVUKC-AWEZNQCLSA-N -1 1 377.441 1.284 20 0 GDADMM CCS(=O)(=O)N(C)C1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000821441779 606124733 /nfs/dbraw/zinc/12/47/33/606124733.db2.gz OIFBLNABPDCLQZ-UHFFFAOYSA-N -1 1 391.910 1.227 20 0 GDADMM CCS(=O)(=O)N(C)C1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000821441779 606124734 /nfs/dbraw/zinc/12/47/34/606124734.db2.gz OIFBLNABPDCLQZ-UHFFFAOYSA-N -1 1 391.910 1.227 20 0 GDADMM COC(=O)CCCc1nc(COC(=O)c2ccc(-c3nnn[n-]3)s2)no1 ZINC000821661815 606140191 /nfs/dbraw/zinc/14/01/91/606140191.db2.gz ZTZFUGJVCSNHCT-UHFFFAOYSA-N -1 1 378.370 1.164 20 0 GDADMM COC(=O)CCCc1nc(COC(=O)c2ccc(-c3nn[n-]n3)s2)no1 ZINC000821661815 606140192 /nfs/dbraw/zinc/14/01/92/606140192.db2.gz ZTZFUGJVCSNHCT-UHFFFAOYSA-N -1 1 378.370 1.164 20 0 GDADMM CCOC(=O)[C@@H]1CCCCN1C(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821320177 606140286 /nfs/dbraw/zinc/14/02/86/606140286.db2.gz MBIKIHMUCMBIRK-JTQLQIEISA-N -1 1 393.425 1.029 20 0 GDADMM CCOC(=O)[C@@H]1CCCCN1C(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821320177 606140288 /nfs/dbraw/zinc/14/02/88/606140288.db2.gz MBIKIHMUCMBIRK-JTQLQIEISA-N -1 1 393.425 1.029 20 0 GDADMM C[C@H]1[C@@H](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820642556 606143938 /nfs/dbraw/zinc/14/39/38/606143938.db2.gz KFQXCPSRIQMMIE-DZGCQCFKSA-N -1 1 384.465 1.904 20 0 GDADMM C[C@H]1[C@@H](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820642556 606143940 /nfs/dbraw/zinc/14/39/40/606143940.db2.gz KFQXCPSRIQMMIE-DZGCQCFKSA-N -1 1 384.465 1.904 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccc(OCC(F)(F)F)cc2)n1 ZINC000822619658 606157518 /nfs/dbraw/zinc/15/75/18/606157518.db2.gz DEEDVAKEIANWPH-UHFFFAOYSA-N -1 1 396.333 1.863 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccc(OCC(F)(F)F)cc2)n1 ZINC000822619658 606157519 /nfs/dbraw/zinc/15/75/19/606157519.db2.gz DEEDVAKEIANWPH-UHFFFAOYSA-N -1 1 396.333 1.863 20 0 GDADMM CN(Cc1ccc(Br)o1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821609798 606165964 /nfs/dbraw/zinc/16/59/64/606165964.db2.gz MCQQNYVEFWSJAW-UHFFFAOYSA-N -1 1 381.194 1.620 20 0 GDADMM CN(Cc1ccc(Br)o1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821609798 606165965 /nfs/dbraw/zinc/16/59/65/606165965.db2.gz MCQQNYVEFWSJAW-UHFFFAOYSA-N -1 1 381.194 1.620 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCC(=O)Nc2ccc(Cl)cc2)n1 ZINC000822614541 606167620 /nfs/dbraw/zinc/16/76/20/606167620.db2.gz NPPSLCMZGKSZSU-UHFFFAOYSA-N -1 1 375.780 1.014 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCC(=O)Nc2ccc(Cl)cc2)n1 ZINC000822614541 606167621 /nfs/dbraw/zinc/16/76/21/606167621.db2.gz NPPSLCMZGKSZSU-UHFFFAOYSA-N -1 1 375.780 1.014 20 0 GDADMM Cc1ccc(N2CCC[C@@H](NC(=O)Nc3nn(C)cc3-c3nnn[n-]3)C2=O)cc1 ZINC000822241358 606168633 /nfs/dbraw/zinc/16/86/33/606168633.db2.gz SUPSWUBAADDSDT-CQSZACIVSA-N -1 1 395.427 1.226 20 0 GDADMM Cc1ccc(N2CCC[C@@H](NC(=O)Nc3nn(C)cc3-c3nn[n-]n3)C2=O)cc1 ZINC000822241358 606168635 /nfs/dbraw/zinc/16/86/35/606168635.db2.gz SUPSWUBAADDSDT-CQSZACIVSA-N -1 1 395.427 1.226 20 0 GDADMM O=C(OCCCn1nnc(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)s1 ZINC000823406011 606179373 /nfs/dbraw/zinc/17/93/73/606179373.db2.gz ZOVVUMCEVSZMJI-UHFFFAOYSA-N -1 1 382.409 1.829 20 0 GDADMM O=C(OCCCn1nnc(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)s1 ZINC000823406011 606179374 /nfs/dbraw/zinc/17/93/74/606179374.db2.gz ZOVVUMCEVSZMJI-UHFFFAOYSA-N -1 1 382.409 1.829 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000823294949 606195588 /nfs/dbraw/zinc/19/55/88/606195588.db2.gz ZAPBUYOKEIQPRM-KRWDZBQOSA-N -1 1 380.408 1.412 20 0 GDADMM CCCCOCCCNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821071720 606196737 /nfs/dbraw/zinc/19/67/37/606196737.db2.gz KLRGCVDBWOUSKR-UHFFFAOYSA-N -1 1 376.461 1.840 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@H](O)c1ccccc1 ZINC000822004323 606204441 /nfs/dbraw/zinc/20/44/41/606204441.db2.gz FOWUYRXWGYIKHC-HNNXBMFYSA-N -1 1 382.424 1.367 20 0 GDADMM COC(=O)/C(C)=C/COC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821638935 606226769 /nfs/dbraw/zinc/22/67/69/606226769.db2.gz LMLBVSOCQKRXDF-VQHVLOKHSA-N -1 1 375.385 1.179 20 0 GDADMM CN(C)C(=O)c1ccccc1OS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821579710 606240531 /nfs/dbraw/zinc/24/05/31/606240531.db2.gz LFEBGHJJABJMRR-UHFFFAOYSA-N -1 1 391.384 1.475 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000823289820 606292627 /nfs/dbraw/zinc/29/26/27/606292627.db2.gz PHGOROCYVZNACV-AWEZNQCLSA-N -1 1 378.392 1.560 20 0 GDADMM O=C(CNC(=O)N1CCc2ccccc2C1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823001594 606295696 /nfs/dbraw/zinc/29/56/96/606295696.db2.gz NKWJULWBHJIVAB-UHFFFAOYSA-N -1 1 393.407 1.279 20 0 GDADMM CCOC(=O)C1=C(C)N(CCOC)C(=O)N[C@@H]1c1ccc(-c2nn[n-]n2)s1 ZINC000821321532 606393424 /nfs/dbraw/zinc/39/34/24/606393424.db2.gz ZLPBWPRMSJEIQZ-CYBMUJFWSA-N -1 1 392.441 1.478 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)O[C@H](C)Cn1cccn1 ZINC000822459723 606410423 /nfs/dbraw/zinc/41/04/23/606410423.db2.gz UITJSBIGROVAMB-LLVKDONJSA-N -1 1 395.427 1.287 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)O[C@H](C)Cn1cccn1 ZINC000822459723 606410425 /nfs/dbraw/zinc/41/04/25/606410425.db2.gz UITJSBIGROVAMB-LLVKDONJSA-N -1 1 395.427 1.287 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1nc(-c2ccccc2)ns1 ZINC000821601476 606443425 /nfs/dbraw/zinc/44/34/25/606443425.db2.gz JJJSWTMNHDMOEN-UHFFFAOYSA-N -1 1 382.457 1.760 20 0 GDADMM COc1ccc(C[C@H](CO)CNc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1O ZINC000821790938 606468441 /nfs/dbraw/zinc/46/84/41/606468441.db2.gz WVBRDOLBMMBALU-NSHDSACASA-N -1 1 390.831 1.892 20 0 GDADMM COc1ccc(C[C@H](CO)CNc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1O ZINC000821790938 606468443 /nfs/dbraw/zinc/46/84/43/606468443.db2.gz WVBRDOLBMMBALU-NSHDSACASA-N -1 1 390.831 1.892 20 0 GDADMM O=C(NCCNC(=O)c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823196314 606502384 /nfs/dbraw/zinc/50/23/84/606502384.db2.gz DVAKIUKNXGMZNA-UHFFFAOYSA-N -1 1 376.829 1.741 20 0 GDADMM O=C(NCCNC(=O)c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823196314 606502385 /nfs/dbraw/zinc/50/23/85/606502385.db2.gz DVAKIUKNXGMZNA-UHFFFAOYSA-N -1 1 376.829 1.741 20 0 GDADMM Cc1cc(C(=O)N2CCN(C(=O)c3ccc(-c4nnn[n-]4)s3)CC2)c(C)o1 ZINC000822168876 606534976 /nfs/dbraw/zinc/53/49/76/606534976.db2.gz UTDQBMROYJSOFS-UHFFFAOYSA-N -1 1 386.437 1.736 20 0 GDADMM Cc1cc(C(=O)N2CCN(C(=O)c3ccc(-c4nn[n-]n4)s3)CC2)c(C)o1 ZINC000822168876 606534980 /nfs/dbraw/zinc/53/49/80/606534980.db2.gz UTDQBMROYJSOFS-UHFFFAOYSA-N -1 1 386.437 1.736 20 0 GDADMM Cc1ccc(N(C)C2CCN(C(=O)c3ccc(-c4nnn[n-]4)s3)CC2)nn1 ZINC000822241543 606553456 /nfs/dbraw/zinc/55/34/56/606553456.db2.gz ZKOMKCUAKZSOEI-UHFFFAOYSA-N -1 1 384.469 1.768 20 0 GDADMM Cc1ccc(N(C)C2CCN(C(=O)c3ccc(-c4nn[n-]n4)s3)CC2)nn1 ZINC000822241543 606553459 /nfs/dbraw/zinc/55/34/59/606553459.db2.gz ZKOMKCUAKZSOEI-UHFFFAOYSA-N -1 1 384.469 1.768 20 0 GDADMM CC[C@H](NC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1)C(=O)OC ZINC000820921612 606582369 /nfs/dbraw/zinc/58/23/69/606582369.db2.gz ZVHYKFNFQYAQGI-JTQLQIEISA-N -1 1 376.442 1.542 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@H]1CSCCS1 ZINC000822005123 606590782 /nfs/dbraw/zinc/59/07/82/606590782.db2.gz ORNFUDIXJCUQFF-NSHDSACASA-N -1 1 394.526 1.482 20 0 GDADMM CN1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c2cccnc21 ZINC000821629003 606605341 /nfs/dbraw/zinc/60/53/41/606605341.db2.gz WGBZHFMGHASVQT-UHFFFAOYSA-N -1 1 391.844 1.560 20 0 GDADMM CN1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c2cccnc21 ZINC000821629003 606605343 /nfs/dbraw/zinc/60/53/43/606605343.db2.gz WGBZHFMGHASVQT-UHFFFAOYSA-N -1 1 391.844 1.560 20 0 GDADMM O=C(Cc1ccccc1)N1CCC[C@@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823436459 606649007 /nfs/dbraw/zinc/64/90/07/606649007.db2.gz WLVSKINQKLIARV-QGZVFWFLSA-N -1 1 392.419 1.539 20 0 GDADMM O=C(Cc1ccccc1)N1CCC[C@@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823436459 606649008 /nfs/dbraw/zinc/64/90/08/606649008.db2.gz WLVSKINQKLIARV-QGZVFWFLSA-N -1 1 392.419 1.539 20 0 GDADMM Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822520367 606652223 /nfs/dbraw/zinc/65/22/23/606652223.db2.gz ZXHJXSDSASSXQT-INIZCTEOSA-N -1 1 391.395 1.084 20 0 GDADMM Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822520367 606652224 /nfs/dbraw/zinc/65/22/24/606652224.db2.gz ZXHJXSDSASSXQT-INIZCTEOSA-N -1 1 391.395 1.084 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=S)Nc1ccccc1 ZINC000820788575 606764842 /nfs/dbraw/zinc/76/48/42/606764842.db2.gz JUINRHHULCBTPY-GFCCVEGCSA-N -1 1 381.469 1.564 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=S)Nc1ccccc1 ZINC000820788575 606764843 /nfs/dbraw/zinc/76/48/43/606764843.db2.gz JUINRHHULCBTPY-GFCCVEGCSA-N -1 1 381.469 1.564 20 0 GDADMM Cc1cccc(NC(=S)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1 ZINC000822324229 606765207 /nfs/dbraw/zinc/76/52/07/606765207.db2.gz XVNWPHKAMQFFFK-CYBMUJFWSA-N -1 1 395.496 1.873 20 0 GDADMM Cc1cccc(NC(=S)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1 ZINC000822324229 606765208 /nfs/dbraw/zinc/76/52/08/606765208.db2.gz XVNWPHKAMQFFFK-CYBMUJFWSA-N -1 1 395.496 1.873 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCc1ccccc1 ZINC000820788737 606767573 /nfs/dbraw/zinc/76/75/73/606767573.db2.gz NFNBBTKIXRURQB-CYBMUJFWSA-N -1 1 379.428 1.077 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCc1ccccc1 ZINC000820788737 606767575 /nfs/dbraw/zinc/76/75/75/606767575.db2.gz NFNBBTKIXRURQB-CYBMUJFWSA-N -1 1 379.428 1.077 20 0 GDADMM O=C(COC(=O)C1=CCCC1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000823013907 606768265 /nfs/dbraw/zinc/76/82/65/606768265.db2.gz AXBYIRLMELKTTB-UHFFFAOYSA-N -1 1 379.380 1.644 20 0 GDADMM O=C(COC(=O)C1=CCCC1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000823013907 606768266 /nfs/dbraw/zinc/76/82/66/606768266.db2.gz AXBYIRLMELKTTB-UHFFFAOYSA-N -1 1 379.380 1.644 20 0 GDADMM Cc1cccc(NC(=O)CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1 ZINC000822324131 606779552 /nfs/dbraw/zinc/77/95/52/606779552.db2.gz WHXRPWNWOOVCHP-CQSZACIVSA-N -1 1 393.455 1.114 20 0 GDADMM Cc1cccc(NC(=O)CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1 ZINC000822324131 606779554 /nfs/dbraw/zinc/77/95/54/606779554.db2.gz WHXRPWNWOOVCHP-CQSZACIVSA-N -1 1 393.455 1.114 20 0 GDADMM Cc1cccn2cc(CN3CCN(c4nccnc4-c4nnn[n-]4)C[C@H]3C)nc12 ZINC000822366681 606781434 /nfs/dbraw/zinc/78/14/34/606781434.db2.gz SGBUIPRVUPBEGL-CQSZACIVSA-N -1 1 390.455 1.324 20 0 GDADMM Cc1cccn2cc(CN3CCN(c4nccnc4-c4nn[n-]n4)C[C@H]3C)nc12 ZINC000822366681 606781437 /nfs/dbraw/zinc/78/14/37/606781437.db2.gz SGBUIPRVUPBEGL-CQSZACIVSA-N -1 1 390.455 1.324 20 0 GDADMM COC(=O)c1oc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cc1C ZINC000821671021 606783512 /nfs/dbraw/zinc/78/35/12/606783512.db2.gz DCHRPAZPSOSPPV-LBPRGKRZSA-N -1 1 398.427 1.055 20 0 GDADMM COC(=O)c1oc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cc1C ZINC000821671021 606783515 /nfs/dbraw/zinc/78/35/15/606783515.db2.gz DCHRPAZPSOSPPV-LBPRGKRZSA-N -1 1 398.427 1.055 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCC1CCCC1 ZINC000820788609 606786467 /nfs/dbraw/zinc/78/64/67/606786467.db2.gz KOJHPRPIJBRTTR-CYBMUJFWSA-N -1 1 385.476 1.457 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCC1CCCC1 ZINC000820788609 606786468 /nfs/dbraw/zinc/78/64/68/606786468.db2.gz KOJHPRPIJBRTTR-CYBMUJFWSA-N -1 1 385.476 1.457 20 0 GDADMM CCC1(CNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)CCC1 ZINC000820961769 606793920 /nfs/dbraw/zinc/79/39/20/606793920.db2.gz ARMLMNUNAUSXLA-ZDUSSCGKSA-N -1 1 385.476 1.457 20 0 GDADMM CCC1(CNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)CCC1 ZINC000820961769 606793922 /nfs/dbraw/zinc/79/39/22/606793922.db2.gz ARMLMNUNAUSXLA-ZDUSSCGKSA-N -1 1 385.476 1.457 20 0 GDADMM COc1ccccc1N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)C1=O ZINC000821899259 606815918 /nfs/dbraw/zinc/81/59/18/606815918.db2.gz WERMTZUMDWMYSV-SNVBAGLBSA-N -1 1 384.421 1.472 20 0 GDADMM COc1ccccc1N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)C1=O ZINC000821899259 606815920 /nfs/dbraw/zinc/81/59/20/606815920.db2.gz WERMTZUMDWMYSV-SNVBAGLBSA-N -1 1 384.421 1.472 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC[C@@]2(C)CCCC[C@H]2O)cc1-c1nn[n-]n1 ZINC000821979513 606817359 /nfs/dbraw/zinc/81/73/59/606817359.db2.gz SNTUHYMDTZFAOY-BDJLRTHQSA-N -1 1 378.458 1.360 20 0 GDADMM CC(=O)c1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)s1 ZINC000819832631 606819643 /nfs/dbraw/zinc/81/96/43/606819643.db2.gz AFYZXVCDANTECX-SNVBAGLBSA-N -1 1 398.452 1.272 20 0 GDADMM CC(=O)c1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)s1 ZINC000819832631 606819645 /nfs/dbraw/zinc/81/96/45/606819645.db2.gz AFYZXVCDANTECX-SNVBAGLBSA-N -1 1 398.452 1.272 20 0 GDADMM Cc1noc(C)c1[C@H](C)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000822519654 606820698 /nfs/dbraw/zinc/82/06/98/606820698.db2.gz KHBCCPARGWNPCV-QWRGUYRKSA-N -1 1 397.443 1.102 20 0 GDADMM Cc1noc(C)c1[C@H](C)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000822519654 606820700 /nfs/dbraw/zinc/82/07/00/606820700.db2.gz KHBCCPARGWNPCV-QWRGUYRKSA-N -1 1 397.443 1.102 20 0 GDADMM C[C@H](CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1ccccc1 ZINC000820220260 606821141 /nfs/dbraw/zinc/82/11/41/606821141.db2.gz PVLRLJJXSNNIER-HUUCEWRRSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@H](CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1ccccc1 ZINC000820220260 606821142 /nfs/dbraw/zinc/82/11/42/606821142.db2.gz PVLRLJJXSNNIER-HUUCEWRRSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@@H]1CCCC[C@H]1CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820698964 606823055 /nfs/dbraw/zinc/82/30/55/606823055.db2.gz WWZCQFXRJVYRAP-KFWWJZLASA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCCC[C@H]1CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820698964 606823057 /nfs/dbraw/zinc/82/30/57/606823057.db2.gz WWZCQFXRJVYRAP-KFWWJZLASA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc(F)ccc1F ZINC000820788678 606823824 /nfs/dbraw/zinc/82/38/24/606823824.db2.gz MAVOLXSVLFVBFI-SNVBAGLBSA-N -1 1 386.366 1.286 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc(F)ccc1F ZINC000820788678 606823826 /nfs/dbraw/zinc/82/38/26/606823826.db2.gz MAVOLXSVLFVBFI-SNVBAGLBSA-N -1 1 386.366 1.286 20 0 GDADMM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)Cn1cccc(-c2nn[n-]n2)c1=O ZINC000821607526 606824091 /nfs/dbraw/zinc/82/40/91/606824091.db2.gz SGJXQFFPFDISBH-UHFFFAOYSA-N -1 1 393.234 1.994 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C=Cc1ccccc1F ZINC000820774516 606824704 /nfs/dbraw/zinc/82/47/04/606824704.db2.gz FDBATDMDXIJXIP-FWWRYZNZSA-N -1 1 394.414 1.546 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C=Cc1ccccc1F ZINC000820774516 606824705 /nfs/dbraw/zinc/82/47/05/606824705.db2.gz FDBATDMDXIJXIP-FWWRYZNZSA-N -1 1 394.414 1.546 20 0 GDADMM CN(CCCOc1ccc(F)cc1)C(=O)Cn1cccc(-c2nn[n-]n2)c1=O ZINC000821600703 606825212 /nfs/dbraw/zinc/82/52/12/606825212.db2.gz ZLXRGMKKPCQEKJ-UHFFFAOYSA-N -1 1 386.387 1.095 20 0 GDADMM C[C@@H](C(=O)OC(C)(C)C)N(C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000819884226 606844518 /nfs/dbraw/zinc/84/45/18/606844518.db2.gz UTWGRGVTMHQLQA-VIFPVBQESA-N -1 1 385.421 1.357 20 0 GDADMM Cc1nn(C)cc1[C@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000822496109 606890754 /nfs/dbraw/zinc/89/07/54/606890754.db2.gz ATCFHCGTZZCCJU-QMMMGPOBSA-N -1 1 383.384 1.226 20 0 GDADMM COc1cc(C)ccc1CNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821708577 606896239 /nfs/dbraw/zinc/89/62/39/606896239.db2.gz UDRSFDGCKXVFQG-UHFFFAOYSA-N -1 1 377.401 1.801 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OC[C@]1(C)CCCO1 ZINC000822459843 606899256 /nfs/dbraw/zinc/89/92/56/606899256.db2.gz YUEIMPZZNVIYCW-SFHVURJKSA-N -1 1 385.428 1.571 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OC[C@]1(C)CCCO1 ZINC000822459843 606899257 /nfs/dbraw/zinc/89/92/57/606899257.db2.gz YUEIMPZZNVIYCW-SFHVURJKSA-N -1 1 385.428 1.571 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCOC(C)(C)[C@H]1C ZINC000822457991 606935690 /nfs/dbraw/zinc/93/56/90/606935690.db2.gz BKIKTPOKACNGFE-CYBMUJFWSA-N -1 1 398.471 1.485 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCOC(C)(C)[C@H]1C ZINC000822457991 606935691 /nfs/dbraw/zinc/93/56/91/606935691.db2.gz BKIKTPOKACNGFE-CYBMUJFWSA-N -1 1 398.471 1.485 20 0 GDADMM CS(=O)(=O)[N-]c1ccsc1C(=O)OCc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000821936690 606995841 /nfs/dbraw/zinc/99/58/41/606995841.db2.gz DKICQLMWPVFQMW-UHFFFAOYSA-N -1 1 397.413 1.796 20 0 GDADMM CCC[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000821020382 607104225 /nfs/dbraw/zinc/10/42/25/607104225.db2.gz BVZPWLGGHXTMIB-LBPRGKRZSA-N -1 1 385.453 1.789 20 0 GDADMM CCC[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000821020382 607104227 /nfs/dbraw/zinc/10/42/27/607104227.db2.gz BVZPWLGGHXTMIB-LBPRGKRZSA-N -1 1 385.453 1.789 20 0 GDADMM CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)c1 ZINC000819811291 607107499 /nfs/dbraw/zinc/10/74/99/607107499.db2.gz XPXWJLSIVYHBRU-UHFFFAOYSA-N -1 1 386.397 1.492 20 0 GDADMM CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)c1 ZINC000819811291 607107500 /nfs/dbraw/zinc/10/75/00/607107500.db2.gz XPXWJLSIVYHBRU-UHFFFAOYSA-N -1 1 386.397 1.492 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC2(CC1)OCc1ccccc12 ZINC000823600640 607129696 /nfs/dbraw/zinc/12/96/96/607129696.db2.gz JKJHPVOTYMNLDB-UHFFFAOYSA-N -1 1 398.448 1.472 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC2(CC1)OCc1ccccc12 ZINC000823600640 607129698 /nfs/dbraw/zinc/12/96/98/607129698.db2.gz JKJHPVOTYMNLDB-UHFFFAOYSA-N -1 1 398.448 1.472 20 0 GDADMM Cc1cnoc1C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000822403075 607178357 /nfs/dbraw/zinc/17/83/57/607178357.db2.gz KFYBCCURSFUTGV-UHFFFAOYSA-N -1 1 394.351 1.144 20 0 GDADMM Cc1cnoc1C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000822403075 607178358 /nfs/dbraw/zinc/17/83/58/607178358.db2.gz KFYBCCURSFUTGV-UHFFFAOYSA-N -1 1 394.351 1.144 20 0 GDADMM Cc1nc(-c2ccc([C@H](C)NC(=O)Cn3cnc(-c4nn[n-]n4)n3)cc2)cs1 ZINC000822419623 607206815 /nfs/dbraw/zinc/20/68/15/607206815.db2.gz RPLXCCINZHJIFL-JTQLQIEISA-N -1 1 395.452 1.768 20 0 GDADMM Cc1nc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)sc1Cc1ccccc1 ZINC000822449477 607209075 /nfs/dbraw/zinc/20/90/75/607209075.db2.gz BBCSBSKLZPARKJ-UHFFFAOYSA-N -1 1 381.425 1.453 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccccc1COc1ccccc1 ZINC000823136257 607209704 /nfs/dbraw/zinc/20/97/04/607209704.db2.gz QVORKLVILJMKQO-UHFFFAOYSA-N -1 1 376.380 1.676 20 0 GDADMM Cc1ccccc1CN(Cc1ccccn1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822356430 607214411 /nfs/dbraw/zinc/21/44/11/607214411.db2.gz RYTDTLPAGQCUQO-UHFFFAOYSA-N -1 1 389.423 1.391 20 0 GDADMM CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821678239 607218319 /nfs/dbraw/zinc/21/83/19/607218319.db2.gz LNDXBMPTTNOQKP-TVQRCGJNSA-N -1 1 376.808 1.004 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000823126960 607222431 /nfs/dbraw/zinc/22/24/31/607222431.db2.gz OUHCVYIJGIXRGE-LJQANCHMSA-N -1 1 378.440 1.355 20 0 GDADMM CC(C)(C)[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(F)cc1F ZINC000819897887 607222630 /nfs/dbraw/zinc/22/26/30/607222630.db2.gz ASEHMBDHYHTOFX-CYBMUJFWSA-N -1 1 376.371 1.640 20 0 GDADMM Cc1ccc(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c(O[C@H](C)CC(C)C)c1 ZINC000822237236 607223058 /nfs/dbraw/zinc/22/30/58/607223058.db2.gz KXRYGLQTIBOHKP-CQSZACIVSA-N -1 1 398.471 1.896 20 0 GDADMM CC(=O)OC1CCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)CC1 ZINC000824005418 607795234 /nfs/dbraw/zinc/79/52/34/607795234.db2.gz RKBVOXZMDNGMRG-UHFFFAOYSA-N -1 1 384.396 1.727 20 0 GDADMM CC(=O)OC1CCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)CC1 ZINC000824005418 607795235 /nfs/dbraw/zinc/79/52/35/607795235.db2.gz RKBVOXZMDNGMRG-UHFFFAOYSA-N -1 1 384.396 1.727 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(C)CCc1nccs1 ZINC000826232864 607801481 /nfs/dbraw/zinc/80/14/81/607801481.db2.gz LLMQSNYRROHDFO-UHFFFAOYSA-N -1 1 387.469 1.674 20 0 GDADMM CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000824000174 607867491 /nfs/dbraw/zinc/86/74/91/607867491.db2.gz XWYCSHZVLOIPQL-UHFFFAOYSA-N -1 1 377.357 1.732 20 0 GDADMM CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000824000174 607867492 /nfs/dbraw/zinc/86/74/92/607867492.db2.gz XWYCSHZVLOIPQL-UHFFFAOYSA-N -1 1 377.357 1.732 20 0 GDADMM COc1cc(NC(=O)CCn2ccnc2-c2nnn[n-]2)c(OC)cc1Cl ZINC000826180603 607868358 /nfs/dbraw/zinc/86/83/58/607868358.db2.gz OTEOBUCOZKOWDY-UHFFFAOYSA-N -1 1 377.792 1.763 20 0 GDADMM COc1cc(NC(=O)CCn2ccnc2-c2nn[n-]n2)c(OC)cc1Cl ZINC000826180603 607868359 /nfs/dbraw/zinc/86/83/59/607868359.db2.gz OTEOBUCOZKOWDY-UHFFFAOYSA-N -1 1 377.792 1.763 20 0 GDADMM CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826004109 607879967 /nfs/dbraw/zinc/87/99/67/607879967.db2.gz ISJLDKJCWFDXJB-UHFFFAOYSA-N -1 1 377.357 1.560 20 0 GDADMM CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826004109 607879968 /nfs/dbraw/zinc/87/99/68/607879968.db2.gz ISJLDKJCWFDXJB-UHFFFAOYSA-N -1 1 377.357 1.560 20 0 GDADMM Cc1oc(NC(=O)COC(=O)[C@H](C)C2CCOCC2)c(-c2nn[n-]n2)c1C ZINC000826342287 607919173 /nfs/dbraw/zinc/91/91/73/607919173.db2.gz DPZPQDJFXWSROI-SNVBAGLBSA-N -1 1 377.401 1.621 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CCC[C@@H]3COCC[C@H]32)cc1-c1nn[n-]n1 ZINC000826229914 607928774 /nfs/dbraw/zinc/92/87/74/607928774.db2.gz WRTFMQRIPBRUOC-BXKDBHETSA-N -1 1 376.442 1.330 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCC12CCC(CC1)C2 ZINC000825001356 607940527 /nfs/dbraw/zinc/94/05/27/607940527.db2.gz ZSVACIRYKJJHAN-CDJWAVJASA-N -1 1 397.487 1.457 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCC12CCC(CC1)C2 ZINC000825001356 607940528 /nfs/dbraw/zinc/94/05/28/607940528.db2.gz ZSVACIRYKJJHAN-CDJWAVJASA-N -1 1 397.487 1.457 20 0 GDADMM COc1ccc(CN(C)[C@@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)cn1 ZINC000826192436 607957242 /nfs/dbraw/zinc/95/72/42/607957242.db2.gz NOSDFIGVZXTSNA-NSHDSACASA-N -1 1 385.428 1.939 20 0 GDADMM C[C@@](O)(CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000824670530 607973216 /nfs/dbraw/zinc/97/32/16/607973216.db2.gz QKCAYQFOOFKIET-MRXNPFEDSA-N -1 1 395.391 1.331 20 0 GDADMM Brc1csc(-c2noc(Cn3ccnc3-c3nnn[n-]3)n2)c1 ZINC000823832623 608012424 /nfs/dbraw/zinc/01/24/24/608012424.db2.gz RLJLUSLDGDIZSW-UHFFFAOYSA-N -1 1 379.203 1.986 20 0 GDADMM Brc1csc(-c2noc(Cn3ccnc3-c3nn[n-]n3)n2)c1 ZINC000823832623 608012425 /nfs/dbraw/zinc/01/24/25/608012425.db2.gz RLJLUSLDGDIZSW-UHFFFAOYSA-N -1 1 379.203 1.986 20 0 GDADMM Cc1oc(NC(=O)CN2CCC(O)(C(F)(F)F)CC2)c(-c2nn[n-]n2)c1C ZINC000826341371 608039970 /nfs/dbraw/zinc/03/99/70/608039970.db2.gz GAFDWFCTJFYETI-UHFFFAOYSA-N -1 1 388.350 1.404 20 0 GDADMM CC(C)COC(=O)[C@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824266183 608110907 /nfs/dbraw/zinc/11/09/07/608110907.db2.gz GBNNIQHOSNVAFS-VIFPVBQESA-N -1 1 387.849 1.386 20 0 GDADMM CC(C)COC(=O)[C@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824266183 608110908 /nfs/dbraw/zinc/11/09/08/608110908.db2.gz GBNNIQHOSNVAFS-VIFPVBQESA-N -1 1 387.849 1.386 20 0 GDADMM C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000824466532 608114289 /nfs/dbraw/zinc/11/42/89/608114289.db2.gz XYEVOPUAFBRQMY-JTQLQIEISA-N -1 1 381.421 1.457 20 0 GDADMM C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000824466532 608114290 /nfs/dbraw/zinc/11/42/90/608114290.db2.gz XYEVOPUAFBRQMY-JTQLQIEISA-N -1 1 381.421 1.457 20 0 GDADMM CCOC(=O)[C@@H](C)[C@@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825485644 608127380 /nfs/dbraw/zinc/12/73/80/608127380.db2.gz HWHJJESHIFQLSG-DTWKUNHWSA-N -1 1 387.849 1.386 20 0 GDADMM CCOC(=O)[C@@H](C)[C@@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825485644 608127381 /nfs/dbraw/zinc/12/73/81/608127381.db2.gz HWHJJESHIFQLSG-DTWKUNHWSA-N -1 1 387.849 1.386 20 0 GDADMM CN(C[C@H]1CC=CCC1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825901764 608143197 /nfs/dbraw/zinc/14/31/97/608143197.db2.gz KOCPAXKMBPDGNO-LBPRGKRZSA-N -1 1 386.460 1.571 20 0 GDADMM CN(C[C@H]1CC=CCC1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825901764 608143198 /nfs/dbraw/zinc/14/31/98/608143198.db2.gz KOCPAXKMBPDGNO-LBPRGKRZSA-N -1 1 386.460 1.571 20 0 GDADMM CCC1(CC)[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)[C@@H](C)[C@@H]1OC ZINC000825170594 608157376 /nfs/dbraw/zinc/15/73/76/608157376.db2.gz DBHULEFWILUDIX-HONMWMINSA-N -1 1 380.474 1.380 20 0 GDADMM CCC1(CC)[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H](C)[C@@H]1OC ZINC000825170594 608157377 /nfs/dbraw/zinc/15/73/77/608157377.db2.gz DBHULEFWILUDIX-HONMWMINSA-N -1 1 380.474 1.380 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCCC(F)(F)F ZINC000825000749 608161053 /nfs/dbraw/zinc/16/10/53/608161053.db2.gz UGBIYBJUOIKZIW-SNVBAGLBSA-N -1 1 384.366 1.426 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCCC(F)(F)F ZINC000825000749 608161056 /nfs/dbraw/zinc/16/10/56/608161056.db2.gz UGBIYBJUOIKZIW-SNVBAGLBSA-N -1 1 384.366 1.426 20 0 GDADMM Cc1c(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cnn1C(C)C ZINC000826234090 608163564 /nfs/dbraw/zinc/16/35/64/608163564.db2.gz HZJPBNQKFHFBHH-LBPRGKRZSA-N -1 1 396.459 1.093 20 0 GDADMM Cc1c(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cnn1C(C)C ZINC000826234090 608163565 /nfs/dbraw/zinc/16/35/65/608163565.db2.gz HZJPBNQKFHFBHH-LBPRGKRZSA-N -1 1 396.459 1.093 20 0 GDADMM O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000826425907 608205136 /nfs/dbraw/zinc/20/51/36/608205136.db2.gz ZLXTZNUOEKXQFM-UHFFFAOYSA-N -1 1 389.590 1.763 20 0 GDADMM CC(=O)Nc1cc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)ccc1C ZINC000823999451 608210488 /nfs/dbraw/zinc/21/04/88/608210488.db2.gz AYRPEFYEPPAHSC-UHFFFAOYSA-N -1 1 397.443 1.144 20 0 GDADMM CC(=O)Nc1cc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)ccc1C ZINC000823999451 608210490 /nfs/dbraw/zinc/21/04/90/608210490.db2.gz AYRPEFYEPPAHSC-UHFFFAOYSA-N -1 1 397.443 1.144 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CCn1ccc2ccccc21 ZINC000825930179 608211676 /nfs/dbraw/zinc/21/16/76/608211676.db2.gz REBUHFCIRISAMM-UHFFFAOYSA-N -1 1 393.455 1.608 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CCn1ccc2ccccc21 ZINC000825930179 608211677 /nfs/dbraw/zinc/21/16/77/608211677.db2.gz REBUHFCIRISAMM-UHFFFAOYSA-N -1 1 393.455 1.608 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC(C)(C)C(C)(C)O ZINC000826328425 608211789 /nfs/dbraw/zinc/21/17/89/608211789.db2.gz QVHXKNIYBVOAMF-UHFFFAOYSA-N -1 1 386.460 1.125 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC(C)(C)C(C)(C)O ZINC000826328425 608211790 /nfs/dbraw/zinc/21/17/90/608211790.db2.gz QVHXKNIYBVOAMF-UHFFFAOYSA-N -1 1 386.460 1.125 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C[C@@H]1CCOc2ccccc21 ZINC000825923669 608212930 /nfs/dbraw/zinc/21/29/30/608212930.db2.gz QSDCSZXCZGHZQJ-LBPRGKRZSA-N -1 1 396.455 1.519 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C[C@@H]1CCOc2ccccc21 ZINC000825923669 608212931 /nfs/dbraw/zinc/21/29/31/608212931.db2.gz QSDCSZXCZGHZQJ-LBPRGKRZSA-N -1 1 396.455 1.519 20 0 GDADMM CN(C)S(=O)(=O)c1ccc(CSCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000825875268 608228913 /nfs/dbraw/zinc/22/89/13/608228913.db2.gz HXCLIXAFPRJPQA-UHFFFAOYSA-N -1 1 390.494 1.945 20 0 GDADMM CN(C)S(=O)(=O)c1ccc(CSCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000825875268 608228915 /nfs/dbraw/zinc/22/89/15/608228915.db2.gz HXCLIXAFPRJPQA-UHFFFAOYSA-N -1 1 390.494 1.945 20 0 GDADMM CS[C@H](C)CCC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000826225443 608292625 /nfs/dbraw/zinc/29/26/25/608292625.db2.gz CGODPOXOBGVTJF-LLVKDONJSA-N -1 1 391.501 1.912 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCC[C@H]2COCC[C@H]21 ZINC000826495564 608303635 /nfs/dbraw/zinc/30/36/35/608303635.db2.gz UDMDDHDYDGAVTJ-CMPLNLGQSA-N -1 1 383.861 1.710 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCC[C@H]2COCC[C@H]21 ZINC000826495564 608303638 /nfs/dbraw/zinc/30/36/38/608303638.db2.gz UDMDDHDYDGAVTJ-CMPLNLGQSA-N -1 1 383.861 1.710 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000826494808 608306072 /nfs/dbraw/zinc/30/60/72/608306072.db2.gz QGALWVUEKHPOFO-CHWSQXEVSA-N -1 1 378.458 1.089 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000826494808 608306073 /nfs/dbraw/zinc/30/60/73/608306073.db2.gz QGALWVUEKHPOFO-CHWSQXEVSA-N -1 1 378.458 1.089 20 0 GDADMM CS[C@@H](C)CCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000826225563 608313844 /nfs/dbraw/zinc/31/38/44/608313844.db2.gz FFEYCLQSQQCKEN-NEPJUHHUSA-N -1 1 376.490 1.226 20 0 GDADMM CS[C@@H](C)CCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000826225563 608313846 /nfs/dbraw/zinc/31/38/46/608313846.db2.gz FFEYCLQSQQCKEN-NEPJUHHUSA-N -1 1 376.490 1.226 20 0 GDADMM C[C@@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)c1ccccc1 ZINC000824421315 608340307 /nfs/dbraw/zinc/34/03/07/608340307.db2.gz SBSSDZDTPJMMIS-LBPRGKRZSA-N -1 1 396.455 1.677 20 0 GDADMM C[C@@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)c1ccccc1 ZINC000824421315 608340309 /nfs/dbraw/zinc/34/03/09/608340309.db2.gz SBSSDZDTPJMMIS-LBPRGKRZSA-N -1 1 396.455 1.677 20 0 GDADMM O=S(=O)(N[C@@H](CO)Cc1ccc(F)cc1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826487506 608345180 /nfs/dbraw/zinc/34/51/80/608345180.db2.gz QHGVQTWFQCJDKQ-CYBMUJFWSA-N -1 1 395.391 1.027 20 0 GDADMM Cn1c(Sc2ccc(-c3nnn[n-]3)nn2)nnc1[C@H]1COc2ccccc2O1 ZINC000826356117 608393815 /nfs/dbraw/zinc/39/38/15/608393815.db2.gz ASCPEKNQUNZWPG-GFCCVEGCSA-N -1 1 395.408 1.449 20 0 GDADMM Cn1c(Sc2ccc(-c3nn[n-]n3)nn2)nnc1[C@H]1COc2ccccc2O1 ZINC000826356117 608393817 /nfs/dbraw/zinc/39/38/17/608393817.db2.gz ASCPEKNQUNZWPG-GFCCVEGCSA-N -1 1 395.408 1.449 20 0 GDADMM Cn1nccc1Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Br)ccc21 ZINC000826366424 608397608 /nfs/dbraw/zinc/39/76/08/608397608.db2.gz HGTBSOSGMOJKBD-UHFFFAOYSA-N -1 1 386.213 1.726 20 0 GDADMM C[C@H](C(=O)Nc1ccc(Nc2ccc(-c3nnn[n-]3)nn2)cc1)n1cncn1 ZINC000824046549 608398150 /nfs/dbraw/zinc/39/81/50/608398150.db2.gz TUDPOOSASHRVLM-SNVBAGLBSA-N -1 1 377.372 1.192 20 0 GDADMM C[C@H](C(=O)Nc1ccc(Nc2ccc(-c3nn[n-]n3)nn2)cc1)n1cncn1 ZINC000824046549 608398152 /nfs/dbraw/zinc/39/81/52/608398152.db2.gz TUDPOOSASHRVLM-SNVBAGLBSA-N -1 1 377.372 1.192 20 0 GDADMM CC(C)N(C)S(=O)(=O)c1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000824288224 608404623 /nfs/dbraw/zinc/40/46/23/608404623.db2.gz AIFSTRDJAOVZQI-UHFFFAOYSA-N -1 1 388.457 1.298 20 0 GDADMM CC(C)N(C)S(=O)(=O)c1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000824288224 608404625 /nfs/dbraw/zinc/40/46/25/608404625.db2.gz AIFSTRDJAOVZQI-UHFFFAOYSA-N -1 1 388.457 1.298 20 0 GDADMM Brc1cccc([C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CCO2)c1 ZINC000823832628 608408205 /nfs/dbraw/zinc/40/82/05/608408205.db2.gz ROVJAWLHMBIYAW-CYBMUJFWSA-N -1 1 388.229 1.997 20 0 GDADMM Brc1cccc([C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CCO2)c1 ZINC000823832628 608408207 /nfs/dbraw/zinc/40/82/07/608408207.db2.gz ROVJAWLHMBIYAW-CYBMUJFWSA-N -1 1 388.229 1.997 20 0 GDADMM CN1C(=O)C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000826010256 608437408 /nfs/dbraw/zinc/43/74/08/608437408.db2.gz GBDMZQYDYIJSLR-SWLSCSKDSA-N -1 1 388.794 1.833 20 0 GDADMM CN1C(=O)C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000826010256 608437410 /nfs/dbraw/zinc/43/74/10/608437410.db2.gz GBDMZQYDYIJSLR-SWLSCSKDSA-N -1 1 388.794 1.833 20 0 GDADMM O[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826506373 608438161 /nfs/dbraw/zinc/43/81/61/608438161.db2.gz SXTFTCBPOYDEJH-DGCLKSJQSA-N -1 1 377.330 1.988 20 0 GDADMM O[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826506373 608438162 /nfs/dbraw/zinc/43/81/62/608438162.db2.gz SXTFTCBPOYDEJH-DGCLKSJQSA-N -1 1 377.330 1.988 20 0 GDADMM FC(F)Oc1cccc([C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CCO2)c1 ZINC000826370459 608439707 /nfs/dbraw/zinc/43/97/07/608439707.db2.gz UIDONOVPVKAKGC-CYBMUJFWSA-N -1 1 375.339 1.836 20 0 GDADMM FC(F)Oc1cccc([C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CCO2)c1 ZINC000826370459 608439709 /nfs/dbraw/zinc/43/97/09/608439709.db2.gz UIDONOVPVKAKGC-CYBMUJFWSA-N -1 1 375.339 1.836 20 0 GDADMM NC(=O)CCC1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000826390994 608448686 /nfs/dbraw/zinc/44/86/86/608448686.db2.gz SUHQIIWYBHBYGY-UHFFFAOYSA-N -1 1 398.876 1.186 20 0 GDADMM NC(=O)CCC1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000826390994 608448688 /nfs/dbraw/zinc/44/86/88/608448688.db2.gz SUHQIIWYBHBYGY-UHFFFAOYSA-N -1 1 398.876 1.186 20 0 GDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000826280937 608543651 /nfs/dbraw/zinc/54/36/51/608543651.db2.gz WRJPLPWVFLYTKW-UHFFFAOYSA-N -1 1 392.467 1.009 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCOCC[C@@H]1C ZINC000826328112 608547891 /nfs/dbraw/zinc/54/78/91/608547891.db2.gz GQRCGIQEPGMAOG-NSHDSACASA-N -1 1 384.444 1.096 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCOCC[C@@H]1C ZINC000826328112 608547893 /nfs/dbraw/zinc/54/78/93/608547893.db2.gz GQRCGIQEPGMAOG-NSHDSACASA-N -1 1 384.444 1.096 20 0 GDADMM Cc1nc2ccc(NC(=O)N(C)CCCc3[nH]nc(N)c3-c3nnn[n-]3)cc2o1 ZINC000826328855 608549746 /nfs/dbraw/zinc/54/97/46/608549746.db2.gz HHGITUMTMJWOBT-UHFFFAOYSA-N -1 1 396.415 1.718 20 0 GDADMM Cc1nc2ccc(NC(=O)N(C)CCCc3[nH]nc(N)c3-c3nn[n-]n3)cc2o1 ZINC000826328855 608549748 /nfs/dbraw/zinc/54/97/48/608549748.db2.gz HHGITUMTMJWOBT-UHFFFAOYSA-N -1 1 396.415 1.718 20 0 GDADMM Cc1cccc(C2(C(=O)N(C)CCCc3[nH]nc(N)c3-c3nnn[n-]3)CC2)c1 ZINC000826296898 608557350 /nfs/dbraw/zinc/55/73/50/608557350.db2.gz NVZQHNTUTHLUIB-UHFFFAOYSA-N -1 1 380.456 1.603 20 0 GDADMM Cc1cccc(C2(C(=O)N(C)CCCc3[nH]nc(N)c3-c3nn[n-]n3)CC2)c1 ZINC000826296898 608557352 /nfs/dbraw/zinc/55/73/52/608557352.db2.gz NVZQHNTUTHLUIB-UHFFFAOYSA-N -1 1 380.456 1.603 20 0 GDADMM CC(C)Oc1cccc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)n1 ZINC000824333185 608558469 /nfs/dbraw/zinc/55/84/69/608558469.db2.gz FVTSRLQBNSZLKK-UHFFFAOYSA-N -1 1 385.432 1.059 20 0 GDADMM CC(C)Oc1cccc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)n1 ZINC000824333185 608558471 /nfs/dbraw/zinc/55/84/71/608558471.db2.gz FVTSRLQBNSZLKK-UHFFFAOYSA-N -1 1 385.432 1.059 20 0 GDADMM C[C@@H](Cc1ccc(F)cc1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824457394 608558781 /nfs/dbraw/zinc/55/87/81/608558781.db2.gz KZBKIBUSZJUMGG-NSHDSACASA-N -1 1 386.435 1.581 20 0 GDADMM C[C@@H](Cc1ccc(F)cc1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824457394 608558783 /nfs/dbraw/zinc/55/87/83/608558783.db2.gz KZBKIBUSZJUMGG-NSHDSACASA-N -1 1 386.435 1.581 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@]1(C)CCc2ccccc2C1 ZINC000825923129 608559294 /nfs/dbraw/zinc/55/92/94/608559294.db2.gz CRFZKLWUENWNSX-HXUWFJFHSA-N -1 1 394.483 1.758 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@]1(C)CCc2ccccc2C1 ZINC000825923129 608559296 /nfs/dbraw/zinc/55/92/96/608559296.db2.gz CRFZKLWUENWNSX-HXUWFJFHSA-N -1 1 394.483 1.758 20 0 GDADMM CCO[C@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccccc1 ZINC000825576055 608560176 /nfs/dbraw/zinc/56/01/76/608560176.db2.gz BSDSZBXABDRSBO-HNNXBMFYSA-N -1 1 384.444 1.341 20 0 GDADMM CCO[C@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccccc1 ZINC000825576055 608560177 /nfs/dbraw/zinc/56/01/77/608560177.db2.gz BSDSZBXABDRSBO-HNNXBMFYSA-N -1 1 384.444 1.341 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cccc(C(F)F)c1 ZINC000825933344 608560229 /nfs/dbraw/zinc/56/02/29/608560229.db2.gz CCDXWNNRVHIWPG-UHFFFAOYSA-N -1 1 376.371 1.814 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cccc(C(F)F)c1 ZINC000825933344 608560230 /nfs/dbraw/zinc/56/02/30/608560230.db2.gz CCDXWNNRVHIWPG-UHFFFAOYSA-N -1 1 376.371 1.814 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000826424927 608588957 /nfs/dbraw/zinc/58/89/57/608588957.db2.gz ISYLAFGQUHTMJF-SNVBAGLBSA-N -1 1 384.297 1.407 20 0 GDADMM O=C(c1cc2ccccc2[nH]1)N1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000826470619 608666023 /nfs/dbraw/zinc/66/60/23/608666023.db2.gz WWXPTBLCIMZDNK-UHFFFAOYSA-N -1 1 377.408 1.899 20 0 GDADMM O=C(c1cc2ccccc2[nH]1)N1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000826470619 608666026 /nfs/dbraw/zinc/66/60/26/608666026.db2.gz WWXPTBLCIMZDNK-UHFFFAOYSA-N -1 1 377.408 1.899 20 0 GDADMM COc1cc(F)cc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000826179861 608756736 /nfs/dbraw/zinc/75/67/36/608756736.db2.gz IMCOMQUQFTVEPI-UHFFFAOYSA-N -1 1 381.364 1.632 20 0 GDADMM CCc1nc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)sc1C ZINC000825749813 609158170 /nfs/dbraw/zinc/15/81/70/609158170.db2.gz IGWZSOBDLFKRHS-UHFFFAOYSA-N -1 1 390.477 1.596 20 0 GDADMM CCc1nc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)sc1C ZINC000825749813 609158171 /nfs/dbraw/zinc/15/81/71/609158171.db2.gz IGWZSOBDLFKRHS-UHFFFAOYSA-N -1 1 390.477 1.596 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC[C@H]1C1CCOCC1 ZINC000826496467 609183073 /nfs/dbraw/zinc/18/30/73/609183073.db2.gz XEDIZYRRVYEICJ-ZDUSSCGKSA-N -1 1 381.433 1.586 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC[C@H]1C1CCOCC1 ZINC000826496467 609183074 /nfs/dbraw/zinc/18/30/74/609183074.db2.gz XEDIZYRRVYEICJ-ZDUSSCGKSA-N -1 1 381.433 1.586 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)Nc1ccc2nncn2c1 ZINC000826340993 609260712 /nfs/dbraw/zinc/26/07/12/609260712.db2.gz RMCYHEINQZGLPT-UHFFFAOYSA-N -1 1 375.352 1.854 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Nc1ccc2nncn2c1 ZINC000826340993 609260713 /nfs/dbraw/zinc/26/07/13/609260713.db2.gz RMCYHEINQZGLPT-UHFFFAOYSA-N -1 1 375.352 1.854 20 0 GDADMM C[C@H](C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC000824046197 609290134 /nfs/dbraw/zinc/29/01/34/609290134.db2.gz QUSPBFLCJDDKRL-JTQLQIEISA-N -1 1 381.375 1.667 20 0 GDADMM CCCC[C@@H](CC)CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825261354 609298994 /nfs/dbraw/zinc/29/89/94/609298994.db2.gz XNANUQQRQKQAIX-GFCCVEGCSA-N -1 1 377.497 1.962 20 0 GDADMM CCCC[C@@H](CC)CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825261354 609298996 /nfs/dbraw/zinc/29/89/96/609298996.db2.gz XNANUQQRQKQAIX-GFCCVEGCSA-N -1 1 377.497 1.962 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCCC1CCCCC1 ZINC000825930030 609299104 /nfs/dbraw/zinc/29/91/04/609299104.db2.gz OKWVLKCKUOQBIX-UHFFFAOYSA-N -1 1 375.481 1.716 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCCC1CCCCC1 ZINC000825930030 609299106 /nfs/dbraw/zinc/29/91/06/609299106.db2.gz OKWVLKCKUOQBIX-UHFFFAOYSA-N -1 1 375.481 1.716 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N(Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000826472724 609301530 /nfs/dbraw/zinc/30/15/30/609301530.db2.gz VIJFAZTUSNYXSU-AWEZNQCLSA-N -1 1 392.341 1.827 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N(Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000826472724 609301533 /nfs/dbraw/zinc/30/15/33/609301533.db2.gz VIJFAZTUSNYXSU-AWEZNQCLSA-N -1 1 392.341 1.827 20 0 GDADMM Cc1ccncc1[C@@H](C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826314759 609310399 /nfs/dbraw/zinc/31/03/99/609310399.db2.gz LSSBFUFDLFTQPI-LLVKDONJSA-N -1 1 384.448 1.211 20 0 GDADMM Cc1ccncc1[C@@H](C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826314759 609310401 /nfs/dbraw/zinc/31/04/01/609310401.db2.gz LSSBFUFDLFTQPI-LLVKDONJSA-N -1 1 384.448 1.211 20 0 GDADMM Cc1cc(CNC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)on1 ZINC000826267064 609358663 /nfs/dbraw/zinc/35/86/63/609358663.db2.gz NWTDVQTWGSPWPB-UHFFFAOYSA-N -1 1 383.347 1.810 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N[C@@H]1CCCOCC1 ZINC000826458478 609359636 /nfs/dbraw/zinc/35/96/36/609359636.db2.gz RKAQHPLYWKIASO-LLVKDONJSA-N -1 1 386.391 1.882 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OC[C@H]1CCS(=O)(=O)C1 ZINC000826340795 609389192 /nfs/dbraw/zinc/38/91/92/609389192.db2.gz LICDLNVMXNZQEM-LLVKDONJSA-N -1 1 391.409 1.150 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OC[C@H]1CCS(=O)(=O)C1 ZINC000826340795 609389195 /nfs/dbraw/zinc/38/91/95/609389195.db2.gz LICDLNVMXNZQEM-LLVKDONJSA-N -1 1 391.409 1.150 20 0 GDADMM CC[C@@H]1C[C@H](CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CCO1 ZINC000825183260 609416684 /nfs/dbraw/zinc/41/66/84/609416684.db2.gz OAVYUQHWUKALEA-VXGBXAGGSA-N -1 1 376.465 1.158 20 0 GDADMM CC[C@@H]1C[C@H](CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CCO1 ZINC000825183260 609416687 /nfs/dbraw/zinc/41/66/87/609416687.db2.gz OAVYUQHWUKALEA-VXGBXAGGSA-N -1 1 376.465 1.158 20 0 GDADMM Cc1onc(CC(=O)Nc2cc(Br)ccc2O)c1-c1nn[n-]n1 ZINC000826348416 609467934 /nfs/dbraw/zinc/46/79/34/609467934.db2.gz LACNIOKJZQDQQO-UHFFFAOYSA-N -1 1 379.174 1.812 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1-c1nn[n-]n1 ZINC000826344895 609468296 /nfs/dbraw/zinc/46/82/96/609468296.db2.gz VZBRQDYKKNWZIL-LLVKDONJSA-N -1 1 383.416 1.107 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@H](C)[C@H]1CCCOC1 ZINC000826328455 609623087 /nfs/dbraw/zinc/62/30/87/609623087.db2.gz RMBAKRXNYNCCRT-RISCZKNCSA-N -1 1 398.471 1.390 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@H](C)[C@H]1CCCOC1 ZINC000826328455 609623089 /nfs/dbraw/zinc/62/30/89/609623089.db2.gz RMBAKRXNYNCCRT-RISCZKNCSA-N -1 1 398.471 1.390 20 0 GDADMM COCC(COC)[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000916107425 660185527 /nfs/dbraw/zinc/18/55/27/660185527.db2.gz ZRHBYSCZLZFNIH-UHFFFAOYSA-N -1 1 386.239 1.537 20 0 GDADMM Cc1nc(S(=O)(=O)[N-]C[C@@H]2C[C@H](O)CN2Cc2ccccc2)sc1C ZINC000534821584 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COC(=O)[C@]1([N-]S(=O)(=O)C2(COCc3ccccc3)CC2)CCSC1 ZINC000914302984 660137482 /nfs/dbraw/zinc/13/74/82/660137482.db2.gz ZKVNMROUTQNBCH-KRWDZBQOSA-N -1 1 385.507 1.704 20 0 GDADMM COC(=O)[C@@]1([N-]S(=O)(=O)C2(COCc3ccccc3)CC2)CCSC1 ZINC000914302985 660137556 /nfs/dbraw/zinc/13/75/56/660137556.db2.gz ZKVNMROUTQNBCH-QGZVFWFLSA-N -1 1 385.507 1.704 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-]C[C@@H]2CC(=O)N(C)C2)c1F ZINC000914404505 660147111 /nfs/dbraw/zinc/14/71/11/660147111.db2.gz YSODANVMCPEYMR-QMMMGPOBSA-N -1 1 395.250 1.353 20 0 GDADMM CCN1CC[C@@H]([N-]S(=O)(=O)c2c(Br)ccc(OC)c2F)C1=O ZINC000915342274 660168174 /nfs/dbraw/zinc/16/81/74/660168174.db2.gz OSIWZVWZNGBGPH-SECBINFHSA-N -1 1 395.250 1.496 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@](C)(C(N)=O)C(C)C)c1F ZINC000915559215 660173099 /nfs/dbraw/zinc/17/30/99/660173099.db2.gz QMSATHORJUWTSY-ZDUSSCGKSA-N -1 1 397.266 1.775 20 0 GDADMM Cc1nc(S(=O)(=O)[N-]C[C@H](O)COc2ccc(F)c(F)c2)sc1C ZINC000533552316 677678755 /nfs/dbraw/zinc/67/87/55/677678755.db2.gz XSVGHNQHUYPEKT-JTQLQIEISA-N -1 1 378.422 1.756 20 0 GDADMM CN1CCN(c2cc(CNC(=O)N[C@](C)(C(=O)[O-])c3ccccc3)ccn2)CC1 ZINC000908786237 939321456 /nfs/dbraw/zinc/32/14/56/939321456.db2.gz VMXPWSSKISDMNR-NRFANRHFSA-N -1 1 397.479 1.633 20 0 GDADMM CC[C@](NC(=O)NC[C@@H]1CN(C)CCN1C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000908985064 939365384 /nfs/dbraw/zinc/36/53/84/939365384.db2.gz JINVXDYADXPFPI-CRAIPNDOSA-N -1 1 382.892 1.575 20 0 GDADMM O=C([O-])[C@@H](Cc1cnc[nH]1)NC(=O)CCOc1cccc(Br)c1 ZINC000322468165 970890772 /nfs/dbraw/zinc/89/07/72/970890772.db2.gz LBTRZUSIWRVNOU-CYBMUJFWSA-N -1 1 382.214 1.753 20 0 GDADMM CN1CCN(C)[C@@H](CNC(=O)Nc2ccc(Br)c(C(=O)[O-])c2)C1 ZINC000322668910 970916869 /nfs/dbraw/zinc/91/68/69/970916869.db2.gz DCSONSSINZUWRQ-NSHDSACASA-N -1 1 385.262 1.515 20 0 GDADMM CC(=O)Nc1ccccc1OS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735488876 944666416 /nfs/dbraw/zinc/66/64/16/944666416.db2.gz PLTLHELQNKTPSL-UHFFFAOYSA-N -1 1 377.357 1.732 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccns2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571261884 945433359 /nfs/dbraw/zinc/43/33/59/945433359.db2.gz LKVSWROFKWAKIK-QWRGUYRKSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccns2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571261884 945433365 /nfs/dbraw/zinc/43/33/65/945433365.db2.gz LKVSWROFKWAKIK-QWRGUYRKSA-N -1 1 385.457 1.466 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)s1 ZINC001571262162 945434947 /nfs/dbraw/zinc/43/49/47/945434947.db2.gz NNNYHVIJWOMMNR-JTQLQIEISA-N -1 1 385.457 1.245 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)s1 ZINC001571262162 945434954 /nfs/dbraw/zinc/43/49/54/945434954.db2.gz NNNYHVIJWOMMNR-JTQLQIEISA-N -1 1 385.457 1.245 20 0 GDADMM Cc1cc(C(=O)N2C[C@@H](CNc3nccnc3-c3nnn[n-]3)[C@H](C)C2)ns1 ZINC001571262946 945445862 /nfs/dbraw/zinc/44/58/62/945445862.db2.gz CUYRHXRSEKFYSX-MWLCHTKSSA-N -1 1 385.457 1.242 20 0 GDADMM Cc1cc(C(=O)N2C[C@@H](CNc3nccnc3-c3nn[n-]n3)[C@H](C)C2)ns1 ZINC001571262946 945445866 /nfs/dbraw/zinc/44/58/66/945445866.db2.gz CUYRHXRSEKFYSX-MWLCHTKSSA-N -1 1 385.457 1.242 20 0 GDADMM Cc1cc(C(=O)N2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C(C)(C)C2)ns1 ZINC001571263153 945451802 /nfs/dbraw/zinc/45/18/02/945451802.db2.gz JDLXKFOOEZWMCS-LBPRGKRZSA-N -1 1 385.457 1.384 20 0 GDADMM Cc1cc(C(=O)N2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C(C)(C)C2)ns1 ZINC001571263153 945451806 /nfs/dbraw/zinc/45/18/06/945451806.db2.gz JDLXKFOOEZWMCS-LBPRGKRZSA-N -1 1 385.457 1.384 20 0 GDADMM O=C(NC[C@H]1CCCCCN1c1cnc(-c2nnn[n-]2)cn1)c1nccs1 ZINC001571263426 945457824 /nfs/dbraw/zinc/45/78/24/945457824.db2.gz PTICBODGNATUGU-LLVKDONJSA-N -1 1 385.457 1.292 20 0 GDADMM O=C(NC[C@H]1CCCCCN1c1cnc(-c2nn[n-]n2)cn1)c1nccs1 ZINC001571263426 945457829 /nfs/dbraw/zinc/45/78/29/945457829.db2.gz PTICBODGNATUGU-LLVKDONJSA-N -1 1 385.457 1.292 20 0 GDADMM CO[C@@H]1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)C[C@H]1NC(=O)C(C)(C)C ZINC001571265359 945507140 /nfs/dbraw/zinc/50/71/40/945507140.db2.gz ICDGARKXSKMORW-HTQZYQBOSA-N -1 1 385.881 1.343 20 0 GDADMM CC[C@H](F)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001571265590 945514688 /nfs/dbraw/zinc/51/46/88/945514688.db2.gz MCDJYAIGKJKBMD-YIZRAAEISA-N -1 1 385.856 1.904 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(Cl)cn2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571265624 945516379 /nfs/dbraw/zinc/51/63/79/945516379.db2.gz NARHLNVESLVSMQ-TVQRCGJNSA-N -1 1 385.819 1.278 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(Cl)cn2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571265624 945516389 /nfs/dbraw/zinc/51/63/89/945516389.db2.gz NARHLNVESLVSMQ-TVQRCGJNSA-N -1 1 385.819 1.278 20 0 GDADMM CN(C(=O)c1cccc(F)c1F)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571267036 945558245 /nfs/dbraw/zinc/55/82/45/945558245.db2.gz HENWMEJTOLGPMD-SNVBAGLBSA-N -1 1 386.366 1.286 20 0 GDADMM CN(C(=O)c1cccc(F)c1F)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571267036 945558251 /nfs/dbraw/zinc/55/82/51/945558251.db2.gz HENWMEJTOLGPMD-SNVBAGLBSA-N -1 1 386.366 1.286 20 0 GDADMM C[C@H]1CN(C(=O)c2c(F)cccc2F)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571266993 945558743 /nfs/dbraw/zinc/55/87/43/945558743.db2.gz FSLOPRYSHGLPAQ-CABZTGNLSA-N -1 1 386.366 1.508 20 0 GDADMM C[C@H]1CN(C(=O)c2c(F)cccc2F)C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571266993 945558745 /nfs/dbraw/zinc/55/87/45/945558745.db2.gz FSLOPRYSHGLPAQ-CABZTGNLSA-N -1 1 386.366 1.508 20 0 GDADMM CN(C(=O)c1cc(F)ccc1F)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571267118 945561611 /nfs/dbraw/zinc/56/16/11/945561611.db2.gz JUDNWVCIUMKFCN-LLVKDONJSA-N -1 1 386.366 1.286 20 0 GDADMM CN(C(=O)c1cc(F)ccc1F)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571267118 945561617 /nfs/dbraw/zinc/56/16/17/945561617.db2.gz JUDNWVCIUMKFCN-LLVKDONJSA-N -1 1 386.366 1.286 20 0 GDADMM CCOC(=O)c1cc(NC(=O)Nc2cnc(OC)c(-c3nn[n-]n3)c2)cn1C ZINC001571267268 945565574 /nfs/dbraw/zinc/56/55/74/945565574.db2.gz OEASGZSDDUWXHZ-UHFFFAOYSA-N -1 1 386.372 1.430 20 0 GDADMM C[C@H]1CN(C(=O)c2cccc(F)c2F)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571267204 945565674 /nfs/dbraw/zinc/56/56/74/945565674.db2.gz MHCFTAMYRGCLNR-TVQRCGJNSA-N -1 1 386.366 1.508 20 0 GDADMM C[C@H]1CN(C(=O)c2cccc(F)c2F)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571267204 945565681 /nfs/dbraw/zinc/56/56/81/945565681.db2.gz MHCFTAMYRGCLNR-TVQRCGJNSA-N -1 1 386.366 1.508 20 0 GDADMM C[C@H]1CN(C(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)CCN1c1cnccn1 ZINC001571267386 945569456 /nfs/dbraw/zinc/56/94/56/945569456.db2.gz STXJYGZBUQNMAS-JTQLQIEISA-N -1 1 386.366 1.286 20 0 GDADMM C[C@H]1CN(C(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)CCN1c1cnccn1 ZINC001571267386 945569464 /nfs/dbraw/zinc/56/94/64/945569464.db2.gz STXJYGZBUQNMAS-JTQLQIEISA-N -1 1 386.366 1.286 20 0 GDADMM O=C(C1CCC(F)CC1)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001571268971 945609792 /nfs/dbraw/zinc/60/97/92/945609792.db2.gz LRAJHMMZNFRVFD-AKJUYKBHSA-N -1 1 386.435 1.080 20 0 GDADMM O=C(C1CCC(F)CC1)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571268971 945609797 /nfs/dbraw/zinc/60/97/97/945609797.db2.gz LRAJHMMZNFRVFD-AKJUYKBHSA-N -1 1 386.435 1.080 20 0 GDADMM O=C(N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)nn1)C1(CF)CCC1 ZINC001571269387 945619977 /nfs/dbraw/zinc/61/99/77/945619977.db2.gz XGRNKUNFELFHJT-KBPBESRZSA-N -1 1 386.435 1.366 20 0 GDADMM O=C(N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)nn1)C1(CF)CCC1 ZINC001571269387 945619982 /nfs/dbraw/zinc/61/99/82/945619982.db2.gz XGRNKUNFELFHJT-KBPBESRZSA-N -1 1 386.435 1.366 20 0 GDADMM Cc1nsc(N2CC[C@H](NC(=O)c3cnoc3C3CC3)C2)c1-c1nn[n-]n1 ZINC001571270549 945636722 /nfs/dbraw/zinc/63/67/22/945636722.db2.gz UTPDXAVMRLRGPV-JTQLQIEISA-N -1 1 386.441 1.506 20 0 GDADMM CCn1cccc1C(=O)N[C@@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571271632 945646093 /nfs/dbraw/zinc/64/60/93/945646093.db2.gz GCLGFSCZFFXQKO-GFCCVEGCSA-N -1 1 386.485 1.852 20 0 GDADMM CCCc1[nH]ccc1C(=O)N[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571272642 945667958 /nfs/dbraw/zinc/66/79/58/945667958.db2.gz YAKYDNWMQGLPHW-NSHDSACASA-N -1 1 386.485 1.921 20 0 GDADMM O=C([C@@H]1CCCOC1)N1CCCC[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001571272688 945669931 /nfs/dbraw/zinc/66/99/31/945669931.db2.gz HQBYEJPHJARCCW-KGLIPLIRSA-N -1 1 386.460 1.266 20 0 GDADMM O=C([C@@H]1CCCOC1)N1CCCC[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001571272688 945669942 /nfs/dbraw/zinc/66/99/42/945669942.db2.gz HQBYEJPHJARCCW-KGLIPLIRSA-N -1 1 386.460 1.266 20 0 GDADMM CO[C@@H](C(=O)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1)C1CCCC1 ZINC001571272819 945671867 /nfs/dbraw/zinc/67/18/67/945671867.db2.gz JAUHMVZTFFIGGE-IUODEOHRSA-N -1 1 386.460 1.122 20 0 GDADMM CO[C@@H](C(=O)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1)C1CCCC1 ZINC001571272819 945671871 /nfs/dbraw/zinc/67/18/71/945671871.db2.gz JAUHMVZTFFIGGE-IUODEOHRSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H]1CN(C(=O)COC2CCCCC2)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571275941 945719833 /nfs/dbraw/zinc/71/98/33/945719833.db2.gz GCITVXQOYXTFDG-WFASDCNBSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H]1CN(C(=O)COC2CCCCC2)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571275941 945719839 /nfs/dbraw/zinc/71/98/39/945719839.db2.gz GCITVXQOYXTFDG-WFASDCNBSA-N -1 1 386.460 1.265 20 0 GDADMM CC1(C)CCC[C@H]1C(=O)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571275935 945720640 /nfs/dbraw/zinc/72/06/40/945720640.db2.gz FWGYXRVZCKMRLZ-STQMWFEESA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CCC[C@H]1C(=O)N1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571275935 945720648 /nfs/dbraw/zinc/72/06/48/945720648.db2.gz FWGYXRVZCKMRLZ-STQMWFEESA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CC[C@H](CC(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)OC1 ZINC001571276559 945732711 /nfs/dbraw/zinc/73/27/11/945732711.db2.gz IMGPVGCPKAEVBL-QWHCGFSZSA-N -1 1 386.460 1.265 20 0 GDADMM CC1(C)CC[C@H](CC(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)OC1 ZINC001571276559 945732718 /nfs/dbraw/zinc/73/27/18/945732718.db2.gz IMGPVGCPKAEVBL-QWHCGFSZSA-N -1 1 386.460 1.265 20 0 GDADMM CN(Cc1ccc(OC(F)F)cc1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821611289 945744064 /nfs/dbraw/zinc/74/40/64/945744064.db2.gz ZJRRFNZJCQZCJH-UHFFFAOYSA-N -1 1 378.343 1.866 20 0 GDADMM CN(Cc1ccc(OC(F)F)cc1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821611289 945744069 /nfs/dbraw/zinc/74/40/69/945744069.db2.gz ZJRRFNZJCQZCJH-UHFFFAOYSA-N -1 1 378.343 1.866 20 0 GDADMM CCC1(C(=O)N2CCO[C@H]([C@H](C)Nc3cncc(-c4nnn[n-]4)n3)C2)CCC1 ZINC001571278478 945752821 /nfs/dbraw/zinc/75/28/21/945752821.db2.gz NXQIQHXBQABPBY-JSGCOSHPSA-N -1 1 386.460 1.265 20 0 GDADMM CCC1(C(=O)N2CCO[C@H]([C@H](C)Nc3cncc(-c4nn[n-]n4)n3)C2)CCC1 ZINC001571278478 945752828 /nfs/dbraw/zinc/75/28/28/945752828.db2.gz NXQIQHXBQABPBY-JSGCOSHPSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)CN1C(=O)CCC1CCOCC1 ZINC001571278414 945754087 /nfs/dbraw/zinc/75/40/87/945754087.db2.gz NCAMVBYWDIPFQL-GXTWGEPZSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)CN1C(=O)CCC1CCOCC1 ZINC001571278414 945754091 /nfs/dbraw/zinc/75/40/91/945754091.db2.gz NCAMVBYWDIPFQL-GXTWGEPZSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H]1COCC[C@@H]1C(=O)N[C@H]1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571279370 945775410 /nfs/dbraw/zinc/77/54/10/945775410.db2.gz VUOXIRXVDZKOGR-XUXIUFHCSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@H]1COCC[C@@H]1C(=O)N[C@H]1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571279370 945775413 /nfs/dbraw/zinc/77/54/13/945775413.db2.gz VUOXIRXVDZKOGR-XUXIUFHCSA-N -1 1 386.460 1.169 20 0 GDADMM CC[C@H]1CN(C(=O)C2CCOCC2)CC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571280036 945795321 /nfs/dbraw/zinc/79/53/21/945795321.db2.gz ZWEXLZCXNHYRNW-GXTWGEPZSA-N -1 1 386.460 1.122 20 0 GDADMM CC[C@H]1CN(C(=O)C2CCOCC2)CC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571280036 945795330 /nfs/dbraw/zinc/79/53/30/945795330.db2.gz ZWEXLZCXNHYRNW-GXTWGEPZSA-N -1 1 386.460 1.122 20 0 GDADMM Cc1nsc(N2CCC[C@@H](NC(=O)c3n[nH]c(C)c3C)C2)c1-c1nn[n-]n1 ZINC001571281651 945809660 /nfs/dbraw/zinc/80/96/60/945809660.db2.gz KRLXQHLLLKOASJ-LLVKDONJSA-N -1 1 387.473 1.370 20 0 GDADMM Cc1nsc(NC[C@@H]2CC[C@@H](NC(=O)Cc3cc[nH]n3)C2)c1-c1nn[n-]n1 ZINC001571281913 945819733 /nfs/dbraw/zinc/81/97/33/945819733.db2.gz PSXLLSOWYQJDPG-GHMZBOCLSA-N -1 1 387.473 1.294 20 0 GDADMM Cc1nsc(N[C@H]2CCCN(C(=O)[C@@H](C)n3cccn3)C2)c1-c1nn[n-]n1 ZINC001571282415 945844041 /nfs/dbraw/zinc/84/40/41/945844041.db2.gz XSEBBIMHVVXWDE-NEPJUHHUSA-N -1 1 387.473 1.492 20 0 GDADMM Cc1[nH]nc(NC(=O)[C@]23C[C@H]2CCCN3C(=O)OC(C)(C)C)c1-c1nn[n-]n1 ZINC001571286232 945939291 /nfs/dbraw/zinc/93/92/91/945939291.db2.gz BSAMCWYGDSDRJY-QGHHPUGFSA-N -1 1 388.432 1.626 20 0 GDADMM Cc1nsc(N2C[C@H]3CN(C(=O)c4cc(F)c[nH]4)C[C@H]3C2)c1-c1nn[n-]n1 ZINC001571286471 945947984 /nfs/dbraw/zinc/94/79/84/945947984.db2.gz ITDGWTKPVINAMP-AOOOYVTPSA-N -1 1 388.432 1.307 20 0 GDADMM Cc1conc1C(=O)N[C@H]1CC[C@@H](C)N(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571289484 946006732 /nfs/dbraw/zinc/00/67/32/946006732.db2.gz FRBDDZFELXEBIR-KOLCDFICSA-N -1 1 388.457 1.715 20 0 GDADMM CCC(C)(CC)C(=O)N1CCO[C@H]([C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571289781 946018280 /nfs/dbraw/zinc/01/82/80/946018280.db2.gz MIMGGPQWGPBGNJ-OCCSQVGLSA-N -1 1 388.476 1.511 20 0 GDADMM CCC(C)(CC)C(=O)N1CCO[C@H]([C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571289781 946018295 /nfs/dbraw/zinc/01/82/95/946018295.db2.gz MIMGGPQWGPBGNJ-OCCSQVGLSA-N -1 1 388.476 1.511 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](NC(=O)C3(F)CCCCC3)C2)n1 ZINC001571289917 946023037 /nfs/dbraw/zinc/02/30/37/946023037.db2.gz PRBSPBBGPRYKGI-ZDUSSCGKSA-N -1 1 388.451 1.723 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](NC(=O)C3(F)CCCCC3)C2)n1 ZINC001571289917 946023048 /nfs/dbraw/zinc/02/30/48/946023048.db2.gz PRBSPBBGPRYKGI-ZDUSSCGKSA-N -1 1 388.451 1.723 20 0 GDADMM C[C@@H]1CC[C@H](NC(=O)C2(F)CCCCC2)CN1c1cncc(-c2nnn[n-]2)n1 ZINC001571289978 946024964 /nfs/dbraw/zinc/02/49/64/946024964.db2.gz ROHCRAHCWOMBHT-OLZOCXBDSA-N -1 1 388.451 1.803 20 0 GDADMM C[C@@H]1CC[C@H](NC(=O)C2(F)CCCCC2)CN1c1cncc(-c2nn[n-]n2)n1 ZINC001571289978 946024971 /nfs/dbraw/zinc/02/49/71/946024971.db2.gz ROHCRAHCWOMBHT-OLZOCXBDSA-N -1 1 388.451 1.803 20 0 GDADMM Cc1nsc(NC[C@@H]2CN(C(=O)c3cc[nH]c3)CCCO2)c1-c1nn[n-]n1 ZINC001571290300 946039786 /nfs/dbraw/zinc/03/97/86/946039786.db2.gz ZVYYGADUCJQECI-GFCCVEGCSA-N -1 1 388.457 1.303 20 0 GDADMM CN(c1cnc(-c2nnn[n-]2)cn1)C1CCN(C(=O)c2ccc(Cl)o2)CC1 ZINC001571290375 946042281 /nfs/dbraw/zinc/04/22/81/946042281.db2.gz CKMWPOODKYJVEJ-UHFFFAOYSA-N -1 1 388.819 1.644 20 0 GDADMM CN(c1cnc(-c2nn[n-]n2)cn1)C1CCN(C(=O)c2ccc(Cl)o2)CC1 ZINC001571290375 946042295 /nfs/dbraw/zinc/04/22/95/946042295.db2.gz CKMWPOODKYJVEJ-UHFFFAOYSA-N -1 1 388.819 1.644 20 0 GDADMM CC1(C)CN(C(=O)c2ccoc2Cl)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571290531 946044702 /nfs/dbraw/zinc/04/47/02/946044702.db2.gz IBMKRSVLUGPRBF-NSHDSACASA-N -1 1 388.819 1.866 20 0 GDADMM CC1(C)CN(C(=O)c2ccoc2Cl)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571290531 946044721 /nfs/dbraw/zinc/04/47/21/946044721.db2.gz IBMKRSVLUGPRBF-NSHDSACASA-N -1 1 388.819 1.866 20 0 GDADMM Cc1cccc(C2(O)CCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CC2)c1C ZINC000822299259 946048745 /nfs/dbraw/zinc/04/87/45/946048745.db2.gz COTRQLYLMJOQBM-UHFFFAOYSA-N -1 1 396.455 1.733 20 0 GDADMM Cc1cccc(C2(O)CCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CC2)c1C ZINC000822299259 946048757 /nfs/dbraw/zinc/04/87/57/946048757.db2.gz COTRQLYLMJOQBM-UHFFFAOYSA-N -1 1 396.455 1.733 20 0 GDADMM CC[C@H](SC)C(=O)N1CCC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001571290813 946055372 /nfs/dbraw/zinc/05/53/72/946055372.db2.gz PWXXBNCFLKPUPY-YUTCNCBUSA-N -1 1 388.501 1.226 20 0 GDADMM CC[C@H](SC)C(=O)N1CCC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571290813 946055382 /nfs/dbraw/zinc/05/53/82/946055382.db2.gz PWXXBNCFLKPUPY-YUTCNCBUSA-N -1 1 388.501 1.226 20 0 GDADMM CCc1nc(NC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)sc1C(=O)OC ZINC001571291223 946073221 /nfs/dbraw/zinc/07/32/21/946073221.db2.gz GOURQTBVRSVIDS-UHFFFAOYSA-N -1 1 389.397 1.334 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OC[C@@H]1CCCS1 ZINC000822458628 946095031 /nfs/dbraw/zinc/09/50/31/946095031.db2.gz GHFOXAXWDMGEEJ-LBPRGKRZSA-N -1 1 387.469 1.898 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OC[C@@H]1CCCS1 ZINC000822458628 946095038 /nfs/dbraw/zinc/09/50/38/946095038.db2.gz GHFOXAXWDMGEEJ-LBPRGKRZSA-N -1 1 387.469 1.898 20 0 GDADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1)[C@H]1C[C@@H]1C(F)F ZINC001571294817 946146207 /nfs/dbraw/zinc/14/62/07/946146207.db2.gz MQVUSANZJDGDFJ-YAXHFPQCSA-N -1 1 390.398 1.174 20 0 GDADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1)[C@H]1C[C@@H]1C(F)F ZINC001571294817 946146211 /nfs/dbraw/zinc/14/62/11/946146211.db2.gz MQVUSANZJDGDFJ-YAXHFPQCSA-N -1 1 390.398 1.174 20 0 GDADMM O=C(c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1)N1CC[C@H](c2ncccn2)C1 ZINC001571295313 946159069 /nfs/dbraw/zinc/15/90/69/946159069.db2.gz XQEYXJDMFIZHJN-VIFPVBQESA-N -1 1 390.329 1.700 20 0 GDADMM O=C(N[C@@H]1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C1(F)CCOCC1 ZINC001571296177 946188105 /nfs/dbraw/zinc/18/81/05/946188105.db2.gz PRIXMEQVNSSBOT-VXGBXAGGSA-N -1 1 390.423 1.015 20 0 GDADMM O=C(N[C@@H]1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C1(F)CCOCC1 ZINC001571296177 946188111 /nfs/dbraw/zinc/18/81/11/946188111.db2.gz PRIXMEQVNSSBOT-VXGBXAGGSA-N -1 1 390.423 1.015 20 0 GDADMM C[C@H]1C[C@@H]1C(=O)NC[C@H]1Cc2ccccc2CN1c1cncc(-c2nnn[n-]2)n1 ZINC001571298401 946217236 /nfs/dbraw/zinc/21/72/36/946217236.db2.gz GDWOGUQKXKCWND-MAZHCROVSA-N -1 1 390.451 1.360 20 0 GDADMM C[C@H]1C[C@@H]1C(=O)NC[C@H]1Cc2ccccc2CN1c1cncc(-c2nn[n-]n2)n1 ZINC001571298401 946217248 /nfs/dbraw/zinc/21/72/48/946217248.db2.gz GDWOGUQKXKCWND-MAZHCROVSA-N -1 1 390.451 1.360 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](NC(=O)c3cccc(C4CC4)c3)C2)n1 ZINC001571299447 946251640 /nfs/dbraw/zinc/25/16/40/946251640.db2.gz RNVCKCZRRAQJBZ-MRXNPFEDSA-N -1 1 390.451 1.851 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)c3cccc(C4CC4)c3)C2)n1 ZINC001571299447 946251652 /nfs/dbraw/zinc/25/16/52/946251652.db2.gz RNVCKCZRRAQJBZ-MRXNPFEDSA-N -1 1 390.451 1.851 20 0 GDADMM C[C@]1(c2ccccc2)C[C@H]1C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571299423 946252308 /nfs/dbraw/zinc/25/23/08/946252308.db2.gz QQKYZCKJHNHDEP-QEEYODRMSA-N -1 1 390.451 1.647 20 0 GDADMM C[C@]1(c2ccccc2)C[C@H]1C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571299423 946252321 /nfs/dbraw/zinc/25/23/21/946252321.db2.gz QQKYZCKJHNHDEP-QEEYODRMSA-N -1 1 390.451 1.647 20 0 GDADMM CC[C@@H](SC)C(=O)N1CCCC[C@@H]1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001571299948 946266976 /nfs/dbraw/zinc/26/69/76/946266976.db2.gz RRIBRDYOTXLEKR-TZMCWYRMSA-N -1 1 390.517 1.900 20 0 GDADMM CC[C@@H](SC)C(=O)N1CCCC[C@@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001571299948 946266985 /nfs/dbraw/zinc/26/69/85/946266985.db2.gz RRIBRDYOTXLEKR-TZMCWYRMSA-N -1 1 390.517 1.900 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C)cc1 ZINC001571299988 946269620 /nfs/dbraw/zinc/26/96/20/946269620.db2.gz XNZUGTGTSKHZSM-CZUORRHYSA-N -1 1 390.451 1.802 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C)cc1 ZINC001571299988 946269629 /nfs/dbraw/zinc/26/96/29/946269629.db2.gz XNZUGTGTSKHZSM-CZUORRHYSA-N -1 1 390.451 1.802 20 0 GDADMM CC[C@@H](SC)C(=O)N1CCC(CC)(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571300092 946271296 /nfs/dbraw/zinc/27/12/96/946271296.db2.gz UQGBWTPHEKUFJD-CYBMUJFWSA-N -1 1 390.517 1.981 20 0 GDADMM CC[C@@H](SC)C(=O)N1CCC(CC)(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571300092 946271307 /nfs/dbraw/zinc/27/13/07/946271307.db2.gz UQGBWTPHEKUFJD-CYBMUJFWSA-N -1 1 390.517 1.981 20 0 GDADMM O=C(COc1ccc(N2CCCC2=O)cc1)Nc1ncc(-c2nnn[n-]2)s1 ZINC000823040279 946289283 /nfs/dbraw/zinc/28/92/83/946289283.db2.gz GPGFSJZNPDBGMH-UHFFFAOYSA-N -1 1 385.409 1.468 20 0 GDADMM O=C(COc1ccc(N2CCCC2=O)cc1)Nc1ncc(-c2nn[n-]n2)s1 ZINC000823040279 946289288 /nfs/dbraw/zinc/28/92/88/946289288.db2.gz GPGFSJZNPDBGMH-UHFFFAOYSA-N -1 1 385.409 1.468 20 0 GDADMM C[C@@H]1[C@H](CO)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC001571302329 946300485 /nfs/dbraw/zinc/30/04/85/946300485.db2.gz UYESQLJTRLXNAS-BDAKNGLRSA-N -1 1 391.375 1.277 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccncc3)C2)n1 ZINC001571302640 946309906 /nfs/dbraw/zinc/30/99/06/946309906.db2.gz DEDGDBBQVMUXFO-QLFBSQMISA-N -1 1 391.439 1.177 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccncc3)C2)n1 ZINC001571302640 946309919 /nfs/dbraw/zinc/30/99/19/946309919.db2.gz DEDGDBBQVMUXFO-QLFBSQMISA-N -1 1 391.439 1.177 20 0 GDADMM O=C(N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C1(c2ccccn2)CC1 ZINC001571302825 946314805 /nfs/dbraw/zinc/31/48/05/946314805.db2.gz GQNVPHWRFXVPAI-CYBMUJFWSA-N -1 1 391.439 1.186 20 0 GDADMM O=C(N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C1(c2ccccn2)CC1 ZINC001571302825 946314819 /nfs/dbraw/zinc/31/48/19/946314819.db2.gz GQNVPHWRFXVPAI-CYBMUJFWSA-N -1 1 391.439 1.186 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000823126922 946323424 /nfs/dbraw/zinc/32/34/24/946323424.db2.gz NUOAYELOQJFEKG-LBPRGKRZSA-N -1 1 390.354 1.253 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)cc(C)n1 ZINC001571303533 946339079 /nfs/dbraw/zinc/33/90/79/946339079.db2.gz SFLNGDMIGNJPQX-XJKSGUPXSA-N -1 1 391.439 1.019 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)cc(C)n1 ZINC001571303533 946339092 /nfs/dbraw/zinc/33/90/92/946339092.db2.gz SFLNGDMIGNJPQX-XJKSGUPXSA-N -1 1 391.439 1.019 20 0 GDADMM COC(=O)c1ccc(Sc2cccc(S(C)(=O)=O)c2)c(-c2nnn[n-]2)n1 ZINC001571303498 946339530 /nfs/dbraw/zinc/33/95/30/946339530.db2.gz MGVOZELNQWKUAX-UHFFFAOYSA-N -1 1 391.434 1.603 20 0 GDADMM COC(=O)c1ccc(Sc2cccc(S(C)(=O)=O)c2)c(-c2nn[n-]n2)n1 ZINC001571303498 946339542 /nfs/dbraw/zinc/33/95/42/946339542.db2.gz MGVOZELNQWKUAX-UHFFFAOYSA-N -1 1 391.434 1.603 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@@H]3[C@H]2CCN3c2ccc(-c3nnn[n-]3)nn2)cn1 ZINC001571303674 946346010 /nfs/dbraw/zinc/34/60/10/946346010.db2.gz VIFVDDIKDVOGLQ-HZPDHXFCSA-N -1 1 391.439 1.244 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@@H]3[C@H]2CCN3c2ccc(-c3nn[n-]n3)nn2)cn1 ZINC001571303674 946346024 /nfs/dbraw/zinc/34/60/24/946346024.db2.gz VIFVDDIKDVOGLQ-HZPDHXFCSA-N -1 1 391.439 1.244 20 0 GDADMM Cc1nsc(N2CCC(CNC(=O)[C@@H]3CCCCO3)CC2)c1-c1nn[n-]n1 ZINC001571305443 946362639 /nfs/dbraw/zinc/36/26/39/946362639.db2.gz BGLQRBOYLKFNGC-ZDUSSCGKSA-N -1 1 391.501 1.533 20 0 GDADMM O=C(NC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ncc(Cl)s1 ZINC001571305610 946368998 /nfs/dbraw/zinc/36/89/98/946368998.db2.gz HKWMFVSGBFNJDC-QMMMGPOBSA-N -1 1 391.848 1.023 20 0 GDADMM O=C(NC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ncc(Cl)s1 ZINC001571305610 946369010 /nfs/dbraw/zinc/36/90/10/946369010.db2.gz HKWMFVSGBFNJDC-QMMMGPOBSA-N -1 1 391.848 1.023 20 0 GDADMM Cc1nsc(N2CCC[C@H](NC(=O)c3cnns3)[C@@H]2C)c1-c1nn[n-]n1 ZINC001571305688 946371755 /nfs/dbraw/zinc/37/17/55/946371755.db2.gz JJGLQJNCAXXHEG-IUCAKERBSA-N -1 1 391.486 1.270 20 0 GDADMM Cc1nsc(N[C@@H]2CCCCCN(C(=O)[C@H]3CCCO3)C2)c1-c1nn[n-]n1 ZINC001571305833 946377499 /nfs/dbraw/zinc/37/74/99/946377499.db2.gz LLRZZDLWJVMKEU-CHWSQXEVSA-N -1 1 391.501 1.994 20 0 GDADMM Cc1cc(C(=O)N2CCN(c3nc(-c4nn[n-]n4)c(Cl)s3)CC2)cnn1 ZINC001571305853 946378501 /nfs/dbraw/zinc/37/85/01/946378501.db2.gz LYZVFHQNRCNGDJ-UHFFFAOYSA-N -1 1 391.848 1.037 20 0 GDADMM O=C(c1ncc(Cl)s1)N1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571305892 946379095 /nfs/dbraw/zinc/37/90/95/946379095.db2.gz NFBSMLUMVTZQOA-QMMMGPOBSA-N -1 1 391.848 1.483 20 0 GDADMM O=C(c1ncc(Cl)s1)N1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571305892 946379105 /nfs/dbraw/zinc/37/91/05/946379105.db2.gz NFBSMLUMVTZQOA-QMMMGPOBSA-N -1 1 391.848 1.483 20 0 GDADMM C[C@@]1(NC(=O)c2ccncn2)CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571306581 946404916 /nfs/dbraw/zinc/40/49/16/946404916.db2.gz XWVXRWXTCZHAJS-CQSZACIVSA-N -1 1 391.848 1.165 20 0 GDADMM C[C@@]1(NC(=O)c2ccncn2)CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571306581 946404921 /nfs/dbraw/zinc/40/49/21/946404921.db2.gz XWVXRWXTCZHAJS-CQSZACIVSA-N -1 1 391.848 1.165 20 0 GDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000823379665 946419907 /nfs/dbraw/zinc/41/99/07/946419907.db2.gz CTOMWTLWALUSGE-CYBMUJFWSA-N -1 1 389.416 1.474 20 0 GDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000823379665 946419911 /nfs/dbraw/zinc/41/99/11/946419911.db2.gz CTOMWTLWALUSGE-CYBMUJFWSA-N -1 1 389.416 1.474 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(C)(F)F)CC2)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571307547 946422438 /nfs/dbraw/zinc/42/24/38/946422438.db2.gz DPCWWZKNJUCWFC-QWRGUYRKSA-N -1 1 392.414 1.163 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H](NC(=O)[C@@H]3CCC3(F)F)C2)n1 ZINC001571307566 946425093 /nfs/dbraw/zinc/42/50/93/946425093.db2.gz FDUREMNWDVTMLY-MNOVXSKESA-N -1 1 392.414 1.349 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H](NC(=O)[C@@H]3CCC3(F)F)C2)n1 ZINC001571307566 946425098 /nfs/dbraw/zinc/42/50/98/946425098.db2.gz FDUREMNWDVTMLY-MNOVXSKESA-N -1 1 392.414 1.349 20 0 GDADMM C[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CC1CC(F)(F)C1 ZINC001571308536 946432831 /nfs/dbraw/zinc/43/28/31/946432831.db2.gz QHAIYSFOSOCBLD-CMPLNLGQSA-N -1 1 392.414 1.884 20 0 GDADMM C[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CC1CC(F)(F)C1 ZINC001571308536 946432839 /nfs/dbraw/zinc/43/28/39/946432839.db2.gz QHAIYSFOSOCBLD-CMPLNLGQSA-N -1 1 392.414 1.884 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)C3(C(F)F)CC3)C[C@H]2C)n1 ZINC001571308567 946436425 /nfs/dbraw/zinc/43/64/25/946436425.db2.gz RCDJSXBQSDBGFN-MWLCHTKSSA-N -1 1 392.414 1.659 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)C3(C(F)F)CC3)C[C@H]2C)n1 ZINC001571308567 946436432 /nfs/dbraw/zinc/43/64/32/946436432.db2.gz RCDJSXBQSDBGFN-MWLCHTKSSA-N -1 1 392.414 1.659 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(CNC(=O)[C@@H]3CCC3(F)F)CC2)n1 ZINC001571309364 946441528 /nfs/dbraw/zinc/44/15/28/946441528.db2.gz YHWWMUSDWNBUIM-LBPRGKRZSA-N -1 1 392.414 1.343 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(CNC(=O)[C@@H]3CCC3(F)F)CC2)n1 ZINC001571309364 946441534 /nfs/dbraw/zinc/44/15/34/946441534.db2.gz YHWWMUSDWNBUIM-LBPRGKRZSA-N -1 1 392.414 1.343 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](CNC(=O)[C@H]3CCC3(F)F)C2)n1 ZINC001571309374 946442908 /nfs/dbraw/zinc/44/29/08/946442908.db2.gz YQABDCWNHJMNOK-NWDGAFQWSA-N -1 1 392.414 1.343 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](CNC(=O)[C@H]3CCC3(F)F)C2)n1 ZINC001571309374 946442916 /nfs/dbraw/zinc/44/29/16/946442916.db2.gz YQABDCWNHJMNOK-NWDGAFQWSA-N -1 1 392.414 1.343 20 0 GDADMM O=C(NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCCCC1(F)F ZINC001571309519 946447193 /nfs/dbraw/zinc/44/71/93/946447193.db2.gz CIKJBPDUNVBLKE-RYUDHWBXSA-N -1 1 392.414 1.567 20 0 GDADMM O=C(N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)[C@H]1CCCC(F)(F)C1 ZINC001571309647 946450620 /nfs/dbraw/zinc/45/06/20/946450620.db2.gz GQLBQVYSBVMQGP-NWDGAFQWSA-N -1 1 392.414 1.567 20 0 GDADMM O=C(N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)[C@H]1CCCC(F)(F)C1 ZINC001571309647 946450626 /nfs/dbraw/zinc/45/06/26/946450626.db2.gz GQLBQVYSBVMQGP-NWDGAFQWSA-N -1 1 392.414 1.567 20 0 GDADMM C[C@@H]1Cc2cc(C(=O)N3CC[C@@H](Nc4cncc(-c5nnn[n-]5)n4)C3)ccc2O1 ZINC001571309810 946455038 /nfs/dbraw/zinc/45/50/38/946455038.db2.gz LKVZQJCJPVVSFC-BXUZGUMPSA-N -1 1 392.423 1.307 20 0 GDADMM C[C@@H]1Cc2cc(C(=O)N3CC[C@@H](Nc4cncc(-c5nn[n-]n5)n4)C3)ccc2O1 ZINC001571309810 946455045 /nfs/dbraw/zinc/45/50/45/946455045.db2.gz LKVZQJCJPVVSFC-BXUZGUMPSA-N -1 1 392.423 1.307 20 0 GDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC001571311017 946481837 /nfs/dbraw/zinc/48/18/37/946481837.db2.gz PUEIHSPROOZDPA-ZBFHGGJFSA-N -1 1 392.467 1.938 20 0 GDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC001571311017 946481844 /nfs/dbraw/zinc/48/18/44/946481844.db2.gz PUEIHSPROOZDPA-ZBFHGGJFSA-N -1 1 392.467 1.938 20 0 GDADMM CCc1ccccc1CC(=O)N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571312690 946498492 /nfs/dbraw/zinc/49/84/92/946498492.db2.gz ALXCKLKQLUVMDQ-INIZCTEOSA-N -1 1 392.467 1.865 20 0 GDADMM CCc1ccccc1CC(=O)N1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571312690 946498497 /nfs/dbraw/zinc/49/84/97/946498497.db2.gz ALXCKLKQLUVMDQ-INIZCTEOSA-N -1 1 392.467 1.865 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H](C)[C@H](NC(=O)c3cccc(C)c3)C2)n1 ZINC001571312809 946502091 /nfs/dbraw/zinc/50/20/91/946502091.db2.gz DJBZIAJHCXXJEU-CZUORRHYSA-N -1 1 392.467 1.782 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H](C)[C@H](NC(=O)c3cccc(C)c3)C2)n1 ZINC001571312809 946502103 /nfs/dbraw/zinc/50/21/03/946502103.db2.gz DJBZIAJHCXXJEU-CZUORRHYSA-N -1 1 392.467 1.782 20 0 GDADMM C[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)CN1C(=O)c1cnc(C2CC2)nc1 ZINC001571312868 946506057 /nfs/dbraw/zinc/50/60/57/946506057.db2.gz LNYMGUYMXNZQHJ-GWCFXTLKSA-N -1 1 392.427 1.039 20 0 GDADMM C[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)CN1C(=O)c1cnc(C2CC2)nc1 ZINC001571312868 946506066 /nfs/dbraw/zinc/50/60/66/946506066.db2.gz LNYMGUYMXNZQHJ-GWCFXTLKSA-N -1 1 392.427 1.039 20 0 GDADMM Cc1cc(C)c(CC(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)c(C)c1 ZINC001571314717 946542291 /nfs/dbraw/zinc/54/22/91/946542291.db2.gz AZOKCRMYIYUKKD-HNNXBMFYSA-N -1 1 392.467 1.837 20 0 GDADMM Cc1cc(C)c(CC(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)c(C)c1 ZINC001571314717 946542303 /nfs/dbraw/zinc/54/23/03/946542303.db2.gz AZOKCRMYIYUKKD-HNNXBMFYSA-N -1 1 392.467 1.837 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)CCc3ccccc3C)C2)n1 ZINC001571315416 946552365 /nfs/dbraw/zinc/55/23/65/946552365.db2.gz JSALCGGWYBCOCI-MRXNPFEDSA-N -1 1 392.467 1.919 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)CCc3ccccc3C)C2)n1 ZINC001571315416 946552374 /nfs/dbraw/zinc/55/23/74/946552374.db2.gz JSALCGGWYBCOCI-MRXNPFEDSA-N -1 1 392.467 1.919 20 0 GDADMM Cc1cc(C)cc(CC(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@H]2C)c1 ZINC001571316024 946563408 /nfs/dbraw/zinc/56/34/08/946563408.db2.gz SAKZKCXUUMKQHC-ZBFHGGJFSA-N -1 1 392.467 1.339 20 0 GDADMM Cc1ccccc1[C@H](C)C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571316637 946584637 /nfs/dbraw/zinc/58/46/37/946584637.db2.gz IYIPIAUNUCHGHG-LSDHHAIUSA-N -1 1 392.467 1.854 20 0 GDADMM O=C(Cc1ccccc1)N[C@H]1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571317258 946604817 /nfs/dbraw/zinc/60/48/17/946604817.db2.gz ZPGHMZMPZUOLPF-WKILWMFISA-N -1 1 392.467 1.986 20 0 GDADMM O=C(Cc1ccccc1)N[C@H]1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571317258 946604824 /nfs/dbraw/zinc/60/48/24/946604824.db2.gz ZPGHMZMPZUOLPF-WKILWMFISA-N -1 1 392.467 1.986 20 0 GDADMM Cn1cccc1C(=O)N[C@@]1(C)CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571317288 946605965 /nfs/dbraw/zinc/60/59/65/946605965.db2.gz BDJANBBWKZSFSH-HNNXBMFYSA-N -1 1 392.876 1.714 20 0 GDADMM Cn1cccc1C(=O)N[C@@]1(C)CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571317288 946605969 /nfs/dbraw/zinc/60/59/69/946605969.db2.gz BDJANBBWKZSFSH-HNNXBMFYSA-N -1 1 392.876 1.714 20 0 GDADMM CCc1[nH]ccc1C(=O)N[C@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571317315 946607136 /nfs/dbraw/zinc/60/71/36/946607136.db2.gz CDEQQFODDXZBMN-QMMMGPOBSA-N -1 1 392.876 1.876 20 0 GDADMM C[C@H](NC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1)C1CCC1 ZINC000824489009 946736901 /nfs/dbraw/zinc/73/69/01/946736901.db2.gz IBCCIESLIJMRIJ-NSHDSACASA-N -1 1 386.460 1.752 20 0 GDADMM CC(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC[C@@H]1c1cccc(F)c1 ZINC001573538213 946766258 /nfs/dbraw/zinc/76/62/58/946766258.db2.gz PUYWVLVGCMRUKR-GDBMZVCRSA-N -1 1 382.403 1.294 20 0 GDADMM CC(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC[C@@H]1c1cccc(F)c1 ZINC001573538213 946766269 /nfs/dbraw/zinc/76/62/69/946766269.db2.gz PUYWVLVGCMRUKR-GDBMZVCRSA-N -1 1 382.403 1.294 20 0 GDADMM CC(=O)Nc1nc(Cn2c(=O)c(-c3nn[n-]n3)ccc2C(F)(F)F)cs1 ZINC001573548343 946849732 /nfs/dbraw/zinc/84/97/32/946849732.db2.gz JBVABCWPQZLRFL-UHFFFAOYSA-N -1 1 385.331 1.510 20 0 GDADMM CC(=O)OCCc1cccc(NC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)c1 ZINC001573551206 946869154 /nfs/dbraw/zinc/86/91/54/946869154.db2.gz HXCDAJMFNXIMJV-UHFFFAOYSA-N -1 1 382.380 1.634 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccnc(C2CC2)c1 ZINC000824999518 947033186 /nfs/dbraw/zinc/03/31/86/947033186.db2.gz HCYVRNCAMADALY-LBPRGKRZSA-N -1 1 391.439 1.280 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccnc(C2CC2)c1 ZINC000824999518 947033195 /nfs/dbraw/zinc/03/31/95/947033195.db2.gz HCYVRNCAMADALY-LBPRGKRZSA-N -1 1 391.439 1.280 20 0 GDADMM CC[C@@H](C)n1nc(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1C ZINC000825081635 947071435 /nfs/dbraw/zinc/07/14/35/947071435.db2.gz KYGFFROXMAHSQE-SECBINFHSA-N -1 1 387.452 1.402 20 0 GDADMM CC[C@@H](C)n1nc(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1C ZINC000825081635 947071440 /nfs/dbraw/zinc/07/14/40/947071440.db2.gz KYGFFROXMAHSQE-SECBINFHSA-N -1 1 387.452 1.402 20 0 GDADMM CCN(CC)C(=O)c1ccccc1NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825406970 947178720 /nfs/dbraw/zinc/17/87/20/947178720.db2.gz WJVLZCOUCKMRQO-UHFFFAOYSA-N -1 1 383.412 1.826 20 0 GDADMM CCN(CC)C(=O)c1ccccc1NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825406970 947178727 /nfs/dbraw/zinc/17/87/27/947178727.db2.gz WJVLZCOUCKMRQO-UHFFFAOYSA-N -1 1 383.412 1.826 20 0 GDADMM CCN(C[C@@H]1COc2ccccc2O1)C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825419736 947186039 /nfs/dbraw/zinc/18/60/39/947186039.db2.gz UTSJKRKXJRYBNB-GFCCVEGCSA-N -1 1 384.396 1.394 20 0 GDADMM CCN(C[C@@H]1COc2ccccc2O1)C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825419736 947186045 /nfs/dbraw/zinc/18/60/45/947186045.db2.gz UTSJKRKXJRYBNB-GFCCVEGCSA-N -1 1 384.396 1.394 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)Nc2ccc(F)c(F)c2)c1-c1nn[n-]n1 ZINC000825570253 947227025 /nfs/dbraw/zinc/22/70/25/947227025.db2.gz GRBKWPJLHPOCRY-UHFFFAOYSA-N -1 1 377.311 1.157 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)Nc2ccc(Cl)cc2C)c1-c1nn[n-]n1 ZINC000825570970 947235200 /nfs/dbraw/zinc/23/52/00/947235200.db2.gz PYUUJJHGGFRIRR-UHFFFAOYSA-N -1 1 389.803 1.840 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@H](C)c1ccccc1F ZINC001573586589 947291963 /nfs/dbraw/zinc/29/19/63/947291963.db2.gz RFCQIRIZDMYWAL-VXGBXAGGSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@H](C)c1ccccc1F ZINC001573586589 947291969 /nfs/dbraw/zinc/29/19/69/947291969.db2.gz RFCQIRIZDMYWAL-VXGBXAGGSA-N -1 1 384.419 1.858 20 0 GDADMM C=C/C(C)=C/CC(=O)N[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C[C@H]1O ZINC001573317743 947298478 /nfs/dbraw/zinc/29/84/78/947298478.db2.gz PDIAHZOMKSTMHC-KOOLHJLFSA-N -1 1 389.485 1.210 20 0 GDADMM C=C/C(C)=C/CC(=O)N[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C[C@@H]1O ZINC001573317733 947299873 /nfs/dbraw/zinc/29/98/73/947299873.db2.gz PDIAHZOMKSTMHC-BWDLBIMJSA-N -1 1 389.485 1.210 20 0 GDADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1cnc(-c2nnn[n-]2)cn1)C(C)(F)F ZINC001573592035 947326692 /nfs/dbraw/zinc/32/66/92/947326692.db2.gz ICYFBWVYPWUAAQ-SNVBAGLBSA-N -1 1 382.419 1.845 20 0 GDADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1cnc(-c2nn[n-]n2)cn1)C(C)(F)F ZINC001573592035 947326704 /nfs/dbraw/zinc/32/67/04/947326704.db2.gz ICYFBWVYPWUAAQ-SNVBAGLBSA-N -1 1 382.419 1.845 20 0 GDADMM C[C@@H](C(=O)N(C)C1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)C1CCC1 ZINC001573593945 947382115 /nfs/dbraw/zinc/38/21/15/947382115.db2.gz NRCBSMNELBTZRL-LRVUVFPRSA-N -1 1 384.488 1.696 20 0 GDADMM C[C@H](C(=O)N(C)C[C@@H](O)CNc1snc(Cl)c1-c1nnn[n-]1)C1CC1 ZINC001573595113 947414748 /nfs/dbraw/zinc/41/47/48/947414748.db2.gz FPDGBOMOEXKTQY-CBAPKCEASA-N -1 1 385.881 1.254 20 0 GDADMM C[C@H](C(=O)N(C)C[C@@H](O)CNc1snc(Cl)c1-c1nn[n-]n1)C1CC1 ZINC001573595113 947414752 /nfs/dbraw/zinc/41/47/52/947414752.db2.gz FPDGBOMOEXKTQY-CBAPKCEASA-N -1 1 385.881 1.254 20 0 GDADMM COC(=O)[C@@H](C)[C@@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)c1ccccc1 ZINC000826099121 947427164 /nfs/dbraw/zinc/42/71/64/947427164.db2.gz YWZCSIOGWBHRRY-MGPLVRAMSA-N -1 1 384.396 1.372 20 0 GDADMM COC(=O)[C@@H](C)[C@@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)c1ccccc1 ZINC000826099121 947427170 /nfs/dbraw/zinc/42/71/70/947427170.db2.gz YWZCSIOGWBHRRY-MGPLVRAMSA-N -1 1 384.396 1.372 20 0 GDADMM COc1c(C)cc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1C ZINC000826166817 947525520 /nfs/dbraw/zinc/52/55/20/947525520.db2.gz CGOPXSQNBYEKSG-UHFFFAOYSA-N -1 1 384.444 1.502 20 0 GDADMM COc1c(C)cc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1C ZINC000826166817 947525537 /nfs/dbraw/zinc/52/55/37/947525537.db2.gz CGOPXSQNBYEKSG-UHFFFAOYSA-N -1 1 384.444 1.502 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)C(C)(F)F ZINC001573613626 947566724 /nfs/dbraw/zinc/56/67/24/947566724.db2.gz DZSCNJJVCZEGTQ-UTUOFQBUSA-N -1 1 392.414 1.518 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)C(C)(F)F ZINC001573613626 947566732 /nfs/dbraw/zinc/56/67/32/947566732.db2.gz DZSCNJJVCZEGTQ-UTUOFQBUSA-N -1 1 392.414 1.518 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1)c1ccco1 ZINC001573613598 947566839 /nfs/dbraw/zinc/56/68/39/947566839.db2.gz CZUADZMIQQKKNX-SMDDNHRTSA-N -1 1 382.428 1.702 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C1)c1ccco1 ZINC001573613598 947566845 /nfs/dbraw/zinc/56/68/45/947566845.db2.gz CZUADZMIQQKKNX-SMDDNHRTSA-N -1 1 382.428 1.702 20 0 GDADMM C[C@@H](C(=O)N1CC[C@](C)(CNc2ccc(-c3nnn[n-]3)nn2)C1)C(C)(F)F ZINC001573614054 947576355 /nfs/dbraw/zinc/57/63/55/947576355.db2.gz KLUWFIZSDTVKNV-ZUZCIYMTSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H](C(=O)N1CC[C@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C1)C(C)(F)F ZINC001573614054 947576359 /nfs/dbraw/zinc/57/63/59/947576359.db2.gz KLUWFIZSDTVKNV-ZUZCIYMTSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1)C(C)(F)F ZINC001573615148 947599425 /nfs/dbraw/zinc/59/94/25/947599425.db2.gz HZJWIZRVWQJVQI-MNOVXSKESA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1)C(C)(F)F ZINC001573615148 947599429 /nfs/dbraw/zinc/59/94/29/947599429.db2.gz HZJWIZRVWQJVQI-MNOVXSKESA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573615479 947605040 /nfs/dbraw/zinc/60/50/40/947605040.db2.gz RQDLTNQGTZTRNI-LPEHRKFASA-N -1 1 382.350 1.035 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)(C)C1)c1ccco1 ZINC001573616160 947617627 /nfs/dbraw/zinc/61/76/27/947617627.db2.gz VOTHRYADVAUIGS-WCQYABFASA-N -1 1 382.428 1.124 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1)c1ccco1 ZINC001573616242 947620027 /nfs/dbraw/zinc/62/00/27/947620027.db2.gz MDWFFJDAHBCCFD-STQMWFEESA-N -1 1 382.428 1.704 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1)c1ccco1 ZINC001573616242 947620033 /nfs/dbraw/zinc/62/00/33/947620033.db2.gz MDWFFJDAHBCCFD-STQMWFEESA-N -1 1 382.428 1.704 20 0 GDADMM C[C@@H](C(=O)N1CCC(N(C)c2nccnc2-c2nnn[n-]2)CC1)C(C)(F)F ZINC001573616356 947621524 /nfs/dbraw/zinc/62/15/24/947621524.db2.gz IERKJIUHVHPWCJ-JTQLQIEISA-N -1 1 380.403 1.375 20 0 GDADMM C[C@@H](C(=O)N1CCC(N(C)c2nccnc2-c2nn[n-]n2)CC1)C(C)(F)F ZINC001573616356 947621532 /nfs/dbraw/zinc/62/15/32/947621532.db2.gz IERKJIUHVHPWCJ-JTQLQIEISA-N -1 1 380.403 1.375 20 0 GDADMM C[C@@H](C(=O)N1CCC(C)(Nc2cncc(-c3nnn[n-]3)n2)CC1)[C@H]1CCCO1 ZINC001573616758 947627365 /nfs/dbraw/zinc/62/73/65/947627365.db2.gz NLDFJNKKJRZDKL-TZMCWYRMSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H](C(=O)N1CCC(C)(Nc2cncc(-c3nn[n-]n3)n2)CC1)[C@H]1CCCO1 ZINC001573616758 947627366 /nfs/dbraw/zinc/62/73/66/947627366.db2.gz NLDFJNKKJRZDKL-TZMCWYRMSA-N -1 1 386.460 1.265 20 0 GDADMM C=Cc1ccc(C(=O)N[C@H](C)C[C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001573354402 947632030 /nfs/dbraw/zinc/63/20/30/947632030.db2.gz BTDLLFHOHOGDBK-QWHCGFSZSA-N -1 1 378.440 1.731 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@@H]2CCCN2c2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001573354408 947632861 /nfs/dbraw/zinc/63/28/61/947632861.db2.gz BZHPLJHEHRXKHE-HNNXBMFYSA-N -1 1 376.424 1.699 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@@H]2CCCN2c2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001573354408 947632864 /nfs/dbraw/zinc/63/28/64/947632864.db2.gz BZHPLJHEHRXKHE-HNNXBMFYSA-N -1 1 376.424 1.699 20 0 GDADMM C[C@H](C(=O)N1CC[C@@](C)(CNc2cncc(-c3nnn[n-]3)n2)C1)C(C)(F)F ZINC001573618263 947647920 /nfs/dbraw/zinc/64/79/20/947647920.db2.gz RHJRQCGYSGYXDF-BMIGLBTASA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H](C(=O)N1CC[C@@](C)(CNc2cncc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573618263 947647926 /nfs/dbraw/zinc/64/79/26/947647926.db2.gz RHJRQCGYSGYXDF-BMIGLBTASA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H](C(=O)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1)c1ccco1 ZINC001573619442 947664726 /nfs/dbraw/zinc/66/47/26/947664726.db2.gz WGMOLHJCTXZUEO-GFCCVEGCSA-N -1 1 382.428 1.126 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@H]2C)cc1 ZINC001573358877 947672641 /nfs/dbraw/zinc/67/26/41/947672641.db2.gz KUBRDUAIQQJEKT-SJKOYZFVSA-N -1 1 390.451 1.863 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@H]2C)cc1 ZINC001573358877 947672646 /nfs/dbraw/zinc/67/26/46/947672646.db2.gz KUBRDUAIQQJEKT-SJKOYZFVSA-N -1 1 390.451 1.863 20 0 GDADMM C[C@@H](C(=O)N1CC[C@](C)(CNc2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001573619957 947674288 /nfs/dbraw/zinc/67/42/88/947674288.db2.gz XTSCFSAIRRTSME-LKFCYVNXSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@@H](C(=O)N1CC[C@](C)(CNc2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573619957 947674296 /nfs/dbraw/zinc/67/42/96/947674296.db2.gz XTSCFSAIRRTSME-LKFCYVNXSA-N -1 1 384.366 1.506 20 0 GDADMM C=Cc1ccc(C(=O)NCCN(c2nccnc2-c2nnn[n-]2)C2CC2)cc1 ZINC001573359112 947678895 /nfs/dbraw/zinc/67/88/95/947678895.db2.gz OHLPYEVKJNNHHU-UHFFFAOYSA-N -1 1 376.424 1.699 20 0 GDADMM C=Cc1ccc(C(=O)NCCN(c2nccnc2-c2nn[n-]n2)C2CC2)cc1 ZINC001573359112 947678898 /nfs/dbraw/zinc/67/88/98/947678898.db2.gz OHLPYEVKJNNHHU-UHFFFAOYSA-N -1 1 376.424 1.699 20 0 GDADMM C/C(=C/C(=O)N1CCC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)C1CC1 ZINC001573361868 947698688 /nfs/dbraw/zinc/69/86/88/947698688.db2.gz GBOKQAGEQCWGIE-CUOOIUKUSA-N -1 1 380.456 1.440 20 0 GDADMM C/C(=C/C(=O)N1CCC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)C1CC1 ZINC001573361868 947698697 /nfs/dbraw/zinc/69/86/97/947698697.db2.gz GBOKQAGEQCWGIE-CUOOIUKUSA-N -1 1 380.456 1.440 20 0 GDADMM C/C(=C/C(=O)N[C@H](C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C1CC1 ZINC001573362073 947701754 /nfs/dbraw/zinc/70/17/54/947701754.db2.gz ILMSIUHLZZJBJC-KIWPFMIBSA-N -1 1 382.472 1.734 20 0 GDADMM C/C(=C/C(=O)N[C@H](C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C1CC1 ZINC001573362073 947701761 /nfs/dbraw/zinc/70/17/61/947701761.db2.gz ILMSIUHLZZJBJC-KIWPFMIBSA-N -1 1 382.472 1.734 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)c1cccs1 ZINC001573627431 947723647 /nfs/dbraw/zinc/72/36/47/947723647.db2.gz BFDAGXRWHPPTRL-VXGBXAGGSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)c1cccs1 ZINC001573627431 947723654 /nfs/dbraw/zinc/72/36/54/947723654.db2.gz BFDAGXRWHPPTRL-VXGBXAGGSA-N -1 1 384.469 1.925 20 0 GDADMM C/C(=C\C(=O)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)[C@@H](C)C1)C1CC1 ZINC001573364923 947724196 /nfs/dbraw/zinc/72/41/96/947724196.db2.gz RVMNNJWPTBELSN-BUUHPPLQSA-N -1 1 382.472 1.910 20 0 GDADMM C/C(=C\C(=O)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)[C@@H](C)C1)C1CC1 ZINC001573364923 947724207 /nfs/dbraw/zinc/72/42/07/947724207.db2.gz RVMNNJWPTBELSN-BUUHPPLQSA-N -1 1 382.472 1.910 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001573627964 947739616 /nfs/dbraw/zinc/73/96/16/947739616.db2.gz DIPGOMDCGKINRF-VHSXEESVSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573627964 947739623 /nfs/dbraw/zinc/73/96/23/947739623.db2.gz DIPGOMDCGKINRF-VHSXEESVSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]2[C@H]1CCN2c1cnc(-c2nnn[n-]2)cn1)C(C)(F)F ZINC001573628658 947762162 /nfs/dbraw/zinc/76/21/62/947762162.db2.gz NECONYRIEUPCEM-KGYLQXTDSA-N -1 1 392.414 1.518 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]2[C@H]1CCN2c1cnc(-c2nn[n-]n2)cn1)C(C)(F)F ZINC001573628658 947762167 /nfs/dbraw/zinc/76/21/67/947762167.db2.gz NECONYRIEUPCEM-KGYLQXTDSA-N -1 1 392.414 1.518 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1)C1CCCC1 ZINC001573628844 947765004 /nfs/dbraw/zinc/76/50/04/947765004.db2.gz KPUYRXFBKKHNNQ-DZGCQCFKSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1)C1CCCC1 ZINC001573628844 947765007 /nfs/dbraw/zinc/76/50/07/947765007.db2.gz KPUYRXFBKKHNNQ-DZGCQCFKSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1)c1ccco1 ZINC001573629039 947771987 /nfs/dbraw/zinc/77/19/87/947771987.db2.gz QGALOUKOMXOBPS-OLZOCXBDSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1)c1ccco1 ZINC001573629039 947771993 /nfs/dbraw/zinc/77/19/93/947771993.db2.gz QGALOUKOMXOBPS-OLZOCXBDSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)C(F)(F)F ZINC001573629371 947777681 /nfs/dbraw/zinc/77/76/81/947777681.db2.gz SGSDZKDEPBIEMQ-VHSXEESVSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)C(F)(F)F ZINC001573629371 947777685 /nfs/dbraw/zinc/77/76/85/947777685.db2.gz SGSDZKDEPBIEMQ-VHSXEESVSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1)C1CC1 ZINC001573629761 947784326 /nfs/dbraw/zinc/78/43/26/947784326.db2.gz VALBQHWUGWASJS-YJYMSZOUSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1)C1CC1 ZINC001573629761 947784336 /nfs/dbraw/zinc/78/43/36/947784336.db2.gz VALBQHWUGWASJS-YJYMSZOUSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1)C(F)(F)F ZINC001573629800 947784467 /nfs/dbraw/zinc/78/44/67/947784467.db2.gz VTETULFVEUKDNT-UWVGGRQHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1)C(F)(F)F ZINC001573629800 947784470 /nfs/dbraw/zinc/78/44/70/947784470.db2.gz VTETULFVEUKDNT-UWVGGRQHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001573630758 947794310 /nfs/dbraw/zinc/79/43/10/947794310.db2.gz RXVDKYKROBSGGI-UONOGXRCSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001573630758 947794320 /nfs/dbraw/zinc/79/43/20/947794320.db2.gz RXVDKYKROBSGGI-UONOGXRCSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@H](C(=O)N1CC[C@@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1)C(C)(F)F ZINC001573631331 947800441 /nfs/dbraw/zinc/80/04/41/947800441.db2.gz UQUHWLIAKVWLPM-PIGZYNQJSA-N -1 1 392.414 1.377 20 0 GDADMM C[C@H](C(=O)N1CC[C@@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1)C(C)(F)F ZINC001573631331 947800449 /nfs/dbraw/zinc/80/04/49/947800449.db2.gz UQUHWLIAKVWLPM-PIGZYNQJSA-N -1 1 392.414 1.377 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@H](C)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001573374219 947806148 /nfs/dbraw/zinc/80/61/48/947806148.db2.gz NKHUJWXOFHTVQC-JSGCOSHPSA-N -1 1 386.460 1.455 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@H](C)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001573374219 947806155 /nfs/dbraw/zinc/80/61/55/947806155.db2.gz NKHUJWXOFHTVQC-JSGCOSHPSA-N -1 1 386.460 1.455 20 0 GDADMM C[C@@H](C(=O)N1CCCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1)C(C)(C)C ZINC001573637395 947812233 /nfs/dbraw/zinc/81/22/33/947812233.db2.gz BMTYALMCMIKMKJ-STQMWFEESA-N -1 1 388.476 1.368 20 0 GDADMM C[C@@H](C(=O)N1CCCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1)C(C)(C)C ZINC001573637395 947812238 /nfs/dbraw/zinc/81/22/38/947812238.db2.gz BMTYALMCMIKMKJ-STQMWFEESA-N -1 1 388.476 1.368 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CC[C@H](C)N(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573375066 947816759 /nfs/dbraw/zinc/81/67/59/947816759.db2.gz LZLMXAKDODHKFV-GXFFZTMASA-N -1 1 391.501 1.864 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@@H](N(C)c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573375629 947823858 /nfs/dbraw/zinc/82/38/58/947823858.db2.gz SLAJSCLVDDUENY-CQSZACIVSA-N -1 1 386.460 1.152 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@@H](N(C)c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573375629 947823862 /nfs/dbraw/zinc/82/38/62/947823862.db2.gz SLAJSCLVDDUENY-CQSZACIVSA-N -1 1 386.460 1.152 20 0 GDADMM C[C@H](C(=O)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1)c1ccsc1 ZINC001573637987 947828833 /nfs/dbraw/zinc/82/88/33/947828833.db2.gz YAQXFTQTLHMIIP-LBPRGKRZSA-N -1 1 384.469 1.561 20 0 GDADMM C[C@H](C(=O)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1)c1ccsc1 ZINC001573637987 947828844 /nfs/dbraw/zinc/82/88/44/947828844.db2.gz YAQXFTQTLHMIIP-LBPRGKRZSA-N -1 1 384.469 1.561 20 0 GDADMM Cc1onc(CC(=O)N[C@@H]2CCCN(c3ccc(C)cc3)C2)c1-c1nnn[n-]1 ZINC000826289792 947842109 /nfs/dbraw/zinc/84/21/09/947842109.db2.gz NOCPIWBMKWMNTH-CQSZACIVSA-N -1 1 381.440 1.799 20 0 GDADMM Cc1onc(CC(=O)N[C@@H]2CCCN(c3ccc(C)cc3)C2)c1-c1nn[n-]n1 ZINC000826289792 947842121 /nfs/dbraw/zinc/84/21/21/947842121.db2.gz NOCPIWBMKWMNTH-CQSZACIVSA-N -1 1 381.440 1.799 20 0 GDADMM CC(=O)CCCC(=O)N1C[C@@H](CNc2snc(C)c2-c2nn[n-]n2)[C@H](C)C1 ZINC001573377079 947846728 /nfs/dbraw/zinc/84/67/28/947846728.db2.gz HHIRDMAEOKIYOA-ZWNOBZJWSA-N -1 1 391.501 1.897 20 0 GDADMM CC(=O)CCCC(=O)N[C@H](C)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573378108 947854014 /nfs/dbraw/zinc/85/40/14/947854014.db2.gz VURQQXCARLLJQK-ZIAGYGMSSA-N -1 1 386.460 1.137 20 0 GDADMM CC(=O)CCCC(=O)N[C@H](C)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573378108 947854018 /nfs/dbraw/zinc/85/40/18/947854018.db2.gz VURQQXCARLLJQK-ZIAGYGMSSA-N -1 1 386.460 1.137 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001573380913 947866789 /nfs/dbraw/zinc/86/67/89/947866789.db2.gz JTEPCSJTTLTPIT-TZMCWYRMSA-N -1 1 386.460 1.198 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001573380913 947866800 /nfs/dbraw/zinc/86/68/00/947866800.db2.gz JTEPCSJTTLTPIT-TZMCWYRMSA-N -1 1 386.460 1.198 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573380943 947867461 /nfs/dbraw/zinc/86/74/61/947867461.db2.gz KSZHRDOTLLUWMD-VIFPVBQESA-N -1 1 383.865 1.431 20 0 GDADMM CC(=O)CCCC(=O)NC[C@@H](Nc1snc(C)c1-c1nn[n-]n1)C(C)C ZINC001573381323 947872890 /nfs/dbraw/zinc/87/28/90/947872890.db2.gz SWASHQQFHLOFQA-GFCCVEGCSA-N -1 1 379.490 1.944 20 0 GDADMM CC(=O)CCCC(=O)NC[C@H](C)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001573381710 947877688 /nfs/dbraw/zinc/87/76/88/947877688.db2.gz YCYIUXKLZPQESM-QMMMGPOBSA-N -1 1 385.881 1.900 20 0 GDADMM CC(=O)CCCC(=O)NC[C@H](C)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001573381710 947877695 /nfs/dbraw/zinc/87/76/95/947877695.db2.gz YCYIUXKLZPQESM-QMMMGPOBSA-N -1 1 385.881 1.900 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](C)[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573647198 947887632 /nfs/dbraw/zinc/88/76/32/947887632.db2.gz DQMQNZBFLUIWAZ-GMTAPVOTSA-N -1 1 398.393 1.174 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1C[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573384525 947904779 /nfs/dbraw/zinc/90/47/79/947904779.db2.gz QJGPOOYBWOKHAS-KYZUINATSA-N -1 1 383.865 1.795 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1nc(Cl)c(-c2nnn[n-]2)s1)C1CC1 ZINC001573651635 947921605 /nfs/dbraw/zinc/92/16/05/947921605.db2.gz NPSAKDDVHIRFML-JEZHCXPESA-N -1 1 379.877 1.812 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1nc(Cl)c(-c2nn[n-]n2)s1)C1CC1 ZINC001573651635 947921613 /nfs/dbraw/zinc/92/16/13/947921613.db2.gz NPSAKDDVHIRFML-JEZHCXPESA-N -1 1 379.877 1.812 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@@]2(C)C1)C(C)(C)C ZINC001573651670 947923492 /nfs/dbraw/zinc/92/34/92/947923492.db2.gz ODWNTRBXTIBHLJ-QUJCMNEKSA-N -1 1 384.488 1.624 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@]2(C)C1)C(C)(C)C ZINC001573651670 947923496 /nfs/dbraw/zinc/92/34/96/947923496.db2.gz ODWNTRBXTIBHLJ-QUJCMNEKSA-N -1 1 384.488 1.624 20 0 GDADMM Cc1cn2c(n1)CN(Cc1c(-c3nn[n-]n3)c(C)nn1-c1ccccc1)CC2 ZINC000826317267 947927912 /nfs/dbraw/zinc/92/79/12/947927912.db2.gz VIWYCTDXUZJCIO-UHFFFAOYSA-N -1 1 375.440 1.882 20 0 GDADMM Cc1cnc2c(c1)N(C(=O)CCc1c(C)[nH]c(=O)c(-c3nn[n-]n3)c1C)CCO2 ZINC000826319000 947932321 /nfs/dbraw/zinc/93/23/21/947932321.db2.gz JZZCWGBWGDLRCQ-UHFFFAOYSA-N -1 1 395.423 1.646 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@@]2(C)C1)C1CCC1 ZINC001573652335 947935325 /nfs/dbraw/zinc/93/53/25/947935325.db2.gz XAJYCUBEOYKQRQ-TVZGQMOCSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@]2(C)C1)C1CCC1 ZINC001573652335 947935327 /nfs/dbraw/zinc/93/53/27/947935327.db2.gz XAJYCUBEOYKQRQ-TVZGQMOCSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)c1ccsc1 ZINC001573653960 947962470 /nfs/dbraw/zinc/96/24/70/947962470.db2.gz OSVWREFUVBTFJW-QMTHXVAHSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)c1ccsc1 ZINC001573653960 947962473 /nfs/dbraw/zinc/96/24/73/947962473.db2.gz OSVWREFUVBTFJW-QMTHXVAHSA-N -1 1 384.469 1.829 20 0 GDADMM Cc1nn(-c2ccccc2)c(CN2CCN(C(C)C)C(=O)C2)c1-c1nn[n-]n1 ZINC000826331843 947963422 /nfs/dbraw/zinc/96/34/22/947963422.db2.gz AGKFEAGCJCKVCK-UHFFFAOYSA-N -1 1 380.456 1.413 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)c1cccnc1 ZINC001573655387 947976912 /nfs/dbraw/zinc/97/69/12/947976912.db2.gz XDCIANJJZONSJA-SMDDNHRTSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)c1cccnc1 ZINC001573655387 947976918 /nfs/dbraw/zinc/97/69/18/947976918.db2.gz XDCIANJJZONSJA-SMDDNHRTSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@H](C(=O)NC1(CCO)CN(Cc2ccc(-c3nn[n-]n3)s2)C1)C1CC1 ZINC001573657649 948003713 /nfs/dbraw/zinc/00/37/13/948003713.db2.gz OAOXNTQDQIQJNR-NSHDSACASA-N -1 1 376.486 1.027 20 0 GDADMM Cc1onc(CC(=O)N2CCCN(C(=O)OCC(C)C)CC2)c1-c1nnn[n-]1 ZINC000826344312 948004327 /nfs/dbraw/zinc/00/43/27/948004327.db2.gz DCVJWNLEACGBQH-UHFFFAOYSA-N -1 1 391.432 1.033 20 0 GDADMM Cc1onc(CC(=O)N2CCCN(C(=O)OCC(C)C)CC2)c1-c1nn[n-]n1 ZINC000826344312 948004332 /nfs/dbraw/zinc/00/43/32/948004332.db2.gz DCVJWNLEACGBQH-UHFFFAOYSA-N -1 1 391.432 1.033 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@H]2c2cccc3c2OCCO3)c1-c1nnn[n-]1 ZINC000826344808 948015005 /nfs/dbraw/zinc/01/50/05/948015005.db2.gz SOCMVIRFCLFBIO-AWEZNQCLSA-N -1 1 396.407 1.841 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@H]2c2cccc3c2OCCO3)c1-c1nn[n-]n1 ZINC000826344808 948015017 /nfs/dbraw/zinc/01/50/17/948015017.db2.gz SOCMVIRFCLFBIO-AWEZNQCLSA-N -1 1 396.407 1.841 20 0 GDADMM C[C@H](C(=O)N[C@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2)C1CCC1 ZINC001573662053 948023154 /nfs/dbraw/zinc/02/31/54/948023154.db2.gz BBFVBHCBNIYWCF-HGQUKEQDSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H](C(=O)N[C@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2)C1CCC1 ZINC001573662053 948023162 /nfs/dbraw/zinc/02/31/62/948023162.db2.gz BBFVBHCBNIYWCF-HGQUKEQDSA-N -1 1 382.472 1.711 20 0 GDADMM CC(C(=O)N[C@]12CCC[C@H]1N(c1nccnc1-c1nnn[n-]1)CC2)=C1CCC1 ZINC001573662730 948027107 /nfs/dbraw/zinc/02/71/07/948027107.db2.gz FIHGAHCSUQTMHB-KUHUBIRLSA-N -1 1 380.456 1.775 20 0 GDADMM CC(C(=O)N[C@]12CCC[C@H]1N(c1nccnc1-c1nn[n-]n1)CC2)=C1CCC1 ZINC001573662730 948027119 /nfs/dbraw/zinc/02/71/19/948027119.db2.gz FIHGAHCSUQTMHB-KUHUBIRLSA-N -1 1 380.456 1.775 20 0 GDADMM Cc1onc(CC(=O)N[C@H](c2ccc(F)cc2)[C@H]2CCCO2)c1-c1nnn[n-]1 ZINC000826345788 948030034 /nfs/dbraw/zinc/03/00/34/948030034.db2.gz UPXQSTKTJXPIJY-RHSMWYFYSA-N -1 1 386.387 1.881 20 0 GDADMM Cc1onc(CC(=O)N[C@H](c2ccc(F)cc2)[C@H]2CCCO2)c1-c1nn[n-]n1 ZINC000826345788 948030043 /nfs/dbraw/zinc/03/00/43/948030043.db2.gz UPXQSTKTJXPIJY-RHSMWYFYSA-N -1 1 386.387 1.881 20 0 GDADMM Cc1onc(CC(=O)N[C@H](c2nccn2C)c2ccccc2)c1-c1nnn[n-]1 ZINC000826345891 948030224 /nfs/dbraw/zinc/03/02/24/948030224.db2.gz XGLYFUBEMGHUPH-INIZCTEOSA-N -1 1 378.396 1.345 20 0 GDADMM Cc1onc(CC(=O)N[C@H](c2nccn2C)c2ccccc2)c1-c1nn[n-]n1 ZINC000826345891 948030231 /nfs/dbraw/zinc/03/02/31/948030231.db2.gz XGLYFUBEMGHUPH-INIZCTEOSA-N -1 1 378.396 1.345 20 0 GDADMM Cc1onc(CC(=O)NCCCc2ccc3c(c2)OCCO3)c1-c1nnn[n-]1 ZINC000826347677 948058114 /nfs/dbraw/zinc/05/81/14/948058114.db2.gz ZQGPCQNHFIIWNM-UHFFFAOYSA-N -1 1 384.396 1.226 20 0 GDADMM Cc1onc(CC(=O)NCCCc2ccc3c(c2)OCCO3)c1-c1nn[n-]n1 ZINC000826347677 948058122 /nfs/dbraw/zinc/05/81/22/948058122.db2.gz ZQGPCQNHFIIWNM-UHFFFAOYSA-N -1 1 384.396 1.226 20 0 GDADMM CC(C(=O)NC1(CNc2ccnc(-c3nn[n-]n3)n2)CCCCC1)=C1CCC1 ZINC001573665003 948064119 /nfs/dbraw/zinc/06/41/19/948064119.db2.gz ZQLJNAWPHGNLSF-UHFFFAOYSA-N -1 1 382.472 1.810 20 0 GDADMM Cc1onc(CC(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)c1-c1nnn[n-]1 ZINC000826348558 948075521 /nfs/dbraw/zinc/07/55/21/948075521.db2.gz SFOQJVTXOWBROB-UHFFFAOYSA-N -1 1 389.759 1.329 20 0 GDADMM Cc1onc(CC(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)c1-c1nn[n-]n1 ZINC000826348558 948075530 /nfs/dbraw/zinc/07/55/30/948075530.db2.gz SFOQJVTXOWBROB-UHFFFAOYSA-N -1 1 389.759 1.329 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(N3CCOC[C@@H]3C)cc2)c1-c1nnn[n-]1 ZINC000826348552 948076565 /nfs/dbraw/zinc/07/65/65/948076565.db2.gz RVSFHBAGVTTXHW-NSHDSACASA-N -1 1 383.412 1.569 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(N3CCOC[C@@H]3C)cc2)c1-c1nn[n-]n1 ZINC000826348552 948076575 /nfs/dbraw/zinc/07/65/75/948076575.db2.gz RVSFHBAGVTTXHW-NSHDSACASA-N -1 1 383.412 1.569 20 0 GDADMM C[C@@H](C(=O)NC1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)C(F)(F)F ZINC001573666673 948088908 /nfs/dbraw/zinc/08/89/08/948088908.db2.gz VGNYTYAQVZBHLM-IDKOKCKLSA-N -1 1 384.366 1.116 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cccs1 ZINC001573666729 948089040 /nfs/dbraw/zinc/08/90/40/948089040.db2.gz VSFFINSXQQSDSX-RYUDHWBXSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cccs1 ZINC001573666729 948089051 /nfs/dbraw/zinc/08/90/51/948089051.db2.gz VSFFINSXQQSDSX-RYUDHWBXSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NC1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1)c1ccco1 ZINC001573666614 948089659 /nfs/dbraw/zinc/08/96/59/948089659.db2.gz UPUVYGSCWWRSGO-HIFPTAJRSA-N -1 1 382.428 1.893 20 0 GDADMM C[C@H](C(=O)NC1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1)c1ccco1 ZINC001573666614 948089669 /nfs/dbraw/zinc/08/96/69/948089669.db2.gz UPUVYGSCWWRSGO-HIFPTAJRSA-N -1 1 382.428 1.893 20 0 GDADMM Cc1onc(CC(=O)Nc2ccnn2CCc2ccccc2)c1-c1nnn[n-]1 ZINC000826349196 948090491 /nfs/dbraw/zinc/09/04/91/948090491.db2.gz YXBGWDPVNRVGOV-UHFFFAOYSA-N -1 1 378.396 1.784 20 0 GDADMM Cc1onc(CC(=O)Nc2ccnn2CCc2ccccc2)c1-c1nn[n-]n1 ZINC000826349196 948090498 /nfs/dbraw/zinc/09/04/98/948090498.db2.gz YXBGWDPVNRVGOV-UHFFFAOYSA-N -1 1 378.396 1.784 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)c1ccco1 ZINC001573666864 948092020 /nfs/dbraw/zinc/09/20/20/948092020.db2.gz WXWPWNNZQQBSOV-CHWSQXEVSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1)n1cccc1 ZINC001573667414 948100108 /nfs/dbraw/zinc/10/01/08/948100108.db2.gz ZLUGKLRHVHXIRT-KBPBESRZSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1)n1cccc1 ZINC001573667414 948100123 /nfs/dbraw/zinc/10/01/23/948100123.db2.gz ZLUGKLRHVHXIRT-KBPBESRZSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1)n1cccc1 ZINC001573676225 948125506 /nfs/dbraw/zinc/12/55/06/948125506.db2.gz SPWDJBYSXHEKSU-VHSXEESVSA-N -1 1 392.876 1.734 20 0 GDADMM C[C@@H](C(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001573677013 948130122 /nfs/dbraw/zinc/13/01/22/948130122.db2.gz BUYRWIRQLILBGS-NWDGAFQWSA-N -1 1 384.419 1.540 20 0 GDADMM C[C@H](C(=O)N[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C)C(C)(F)F ZINC001573677295 948134315 /nfs/dbraw/zinc/13/43/15/948134315.db2.gz BWJFQKAFEZHZRZ-KOLCDFICSA-N -1 1 380.403 1.279 20 0 GDADMM C[C@H](C(=O)N[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C)C(C)(F)F ZINC001573677295 948134322 /nfs/dbraw/zinc/13/43/22/948134322.db2.gz BWJFQKAFEZHZRZ-KOLCDFICSA-N -1 1 380.403 1.279 20 0 GDADMM Cn1ccnc1CN1CCC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1=O ZINC000826363828 948137738 /nfs/dbraw/zinc/13/77/38/948137738.db2.gz CQFSRBIBMUKWOP-QMMMGPOBSA-N -1 1 393.864 1.313 20 0 GDADMM Cn1ccnc1CN1CCC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1=O ZINC000826363828 948137745 /nfs/dbraw/zinc/13/77/45/948137745.db2.gz CQFSRBIBMUKWOP-QMMMGPOBSA-N -1 1 393.864 1.313 20 0 GDADMM C[C@@H](C(=O)NC[C@@]1(C)CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CCC1 ZINC001573693364 948280630 /nfs/dbraw/zinc/28/06/30/948280630.db2.gz SRAPAJJKSHGYON-BFUOFWGJSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NC[C@@]1(C)CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CCC1 ZINC001573693364 948280634 /nfs/dbraw/zinc/28/06/34/948280634.db2.gz SRAPAJJKSHGYON-BFUOFWGJSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001573701487 948339319 /nfs/dbraw/zinc/33/93/19/948339319.db2.gz ALHWTIVCIJTHRR-VHSXEESVSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573701487 948339325 /nfs/dbraw/zinc/33/93/25/948339325.db2.gz ALHWTIVCIJTHRR-VHSXEESVSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001573703759 948359610 /nfs/dbraw/zinc/35/96/10/948359610.db2.gz MLLYHUYYKYEFSD-KBPBESRZSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001573703759 948359617 /nfs/dbraw/zinc/35/96/17/948359617.db2.gz MLLYHUYYKYEFSD-KBPBESRZSA-N -1 1 381.444 1.052 20 0 GDADMM O=S(=O)(N[C@@H]1CCCOCC1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826488089 948402668 /nfs/dbraw/zinc/40/26/68/948402668.db2.gz HZEXDBMPVXZCRW-SNVBAGLBSA-N -1 1 391.375 1.733 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1)C(C)(C)C ZINC001573708445 948449395 /nfs/dbraw/zinc/44/93/95/948449395.db2.gz UKWBANFNCGOAOQ-CHWSQXEVSA-N -1 1 392.529 1.927 20 0 GDADMM C[C@H](C(=O)NCC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1CCCC1 ZINC001573715072 948482838 /nfs/dbraw/zinc/48/28/38/948482838.db2.gz OAYZMZKIRZCVNV-KBPBESRZSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NCC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1CCCC1 ZINC001573715072 948482843 /nfs/dbraw/zinc/48/28/43/948482843.db2.gz OAYZMZKIRZCVNV-KBPBESRZSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NCC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573715220 948486703 /nfs/dbraw/zinc/48/67/03/948486703.db2.gz RICJTRQASATILD-UWVGGRQHSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@H](C(=O)NCC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CCCC1 ZINC001573715473 948491199 /nfs/dbraw/zinc/49/11/99/948491199.db2.gz WQAJSVPCNAAYOH-ZIAGYGMSSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NCC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CCCC1 ZINC001573715473 948491204 /nfs/dbraw/zinc/49/12/04/948491204.db2.gz WQAJSVPCNAAYOH-ZIAGYGMSSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NCC[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1)c1cccc(F)c1 ZINC001573718968 948521461 /nfs/dbraw/zinc/52/14/61/948521461.db2.gz VGPHIYCYOCCASG-NWDGAFQWSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@@H](C(=O)NCC[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1)c1cccc(F)c1 ZINC001573718968 948521467 /nfs/dbraw/zinc/52/14/67/948521467.db2.gz VGPHIYCYOCCASG-NWDGAFQWSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@@H](CCNC(=O)[C@@H](C)c1cccc(F)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573718972 948521620 /nfs/dbraw/zinc/52/16/20/948521620.db2.gz VGPHIYCYOCCASG-RYUDHWBXSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@@H](CCNC(=O)[C@@H](C)c1cccc(F)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573718972 948521621 /nfs/dbraw/zinc/52/16/21/948521621.db2.gz VGPHIYCYOCCASG-RYUDHWBXSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@@H](C(=O)NCC[C@H](C)Nc1nccnc1-c1nnn[n-]1)c1cccc(F)c1 ZINC001573719980 948531155 /nfs/dbraw/zinc/53/11/55/948531155.db2.gz ZDRUZEXWGNOPFG-NWDGAFQWSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@@H](C(=O)NCC[C@H](C)Nc1nccnc1-c1nn[n-]n1)c1cccc(F)c1 ZINC001573719980 948531160 /nfs/dbraw/zinc/53/11/60/948531160.db2.gz ZDRUZEXWGNOPFG-NWDGAFQWSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H]([C@H](C)C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C(C)(C)C ZINC001573725525 948541802 /nfs/dbraw/zinc/54/18/02/948541802.db2.gz ADHROTUDKBCXLT-RFQIPJPRSA-N -1 1 386.504 1.704 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C)c1ccco1 ZINC001573725957 948545432 /nfs/dbraw/zinc/54/54/32/948545432.db2.gz DIQGNTOYTJLMGN-FRRDWIJNSA-N -1 1 382.428 1.242 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C)c1ccco1 ZINC001573727261 948553029 /nfs/dbraw/zinc/55/30/29/948553029.db2.gz LUZMWAZABFYYNZ-FRRDWIJNSA-N -1 1 382.428 1.242 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C)c1ccco1 ZINC001573727261 948553037 /nfs/dbraw/zinc/55/30/37/948553037.db2.gz LUZMWAZABFYYNZ-FRRDWIJNSA-N -1 1 382.428 1.242 20 0 GDADMM C[C@H](C(=O)NCc1ccccc1CN(C)c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001573728282 948559076 /nfs/dbraw/zinc/55/90/76/948559076.db2.gz CSMFZGHVYYQMHP-ZDUSSCGKSA-N -1 1 392.467 1.955 20 0 GDADMM C[C@H](C(=O)NCc1ccccc1CN(C)c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001573728282 948559081 /nfs/dbraw/zinc/55/90/81/948559081.db2.gz CSMFZGHVYYQMHP-ZDUSSCGKSA-N -1 1 392.467 1.955 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cccnc1 ZINC001573729438 948568184 /nfs/dbraw/zinc/56/81/84/948568184.db2.gz STNHJEMMOJYMMJ-BZPMIXESSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cccnc1 ZINC001573729438 948568188 /nfs/dbraw/zinc/56/81/88/948568188.db2.gz STNHJEMMOJYMMJ-BZPMIXESSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@@H](C(=O)NCc1ccc(CNc2ccnc(-c3nn[n-]n3)n2)cc1)C1CC1 ZINC001573730028 948574766 /nfs/dbraw/zinc/57/47/66/948574766.db2.gz KMZZRIGOIWTHDM-GFCCVEGCSA-N -1 1 378.440 1.353 20 0 GDADMM C[C@H](C(=O)NC[C@]12CCC[C@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2)C1CC1 ZINC001573730345 948578913 /nfs/dbraw/zinc/57/89/13/948578913.db2.gz OPNBHWULJGOAAQ-BBEJJTJUSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H](C)c1c(F)cccc1F ZINC001573730696 948584649 /nfs/dbraw/zinc/58/46/49/948584649.db2.gz BNWOUHKXLBWIJU-UWVGGRQHSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H](C)c1c(F)cccc1F ZINC001573730696 948584656 /nfs/dbraw/zinc/58/46/56/948584656.db2.gz BNWOUHKXLBWIJU-UWVGGRQHSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@@H](C(=O)NC[C@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2)C1CC1 ZINC001573731390 948590786 /nfs/dbraw/zinc/59/07/86/948590786.db2.gz WJPUQYDZCPCECW-KPAZRMRSSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](C(=O)NC[C@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2)C1CC1 ZINC001573731390 948590793 /nfs/dbraw/zinc/59/07/93/948590793.db2.gz WJPUQYDZCPCECW-KPAZRMRSSA-N -1 1 382.472 1.568 20 0 GDADMM CC(C(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1)=C1CCCC1 ZINC001573736079 948612773 /nfs/dbraw/zinc/61/27/73/948612773.db2.gz GZXWOGOATNWMFQ-HUUCEWRRSA-N -1 1 382.472 1.808 20 0 GDADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573739539 948620974 /nfs/dbraw/zinc/62/09/74/948620974.db2.gz DYMWTABYRKFFHJ-DCDXPUDHSA-N -1 1 382.472 1.709 20 0 GDADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573739539 948620978 /nfs/dbraw/zinc/62/09/78/948620978.db2.gz DYMWTABYRKFFHJ-DCDXPUDHSA-N -1 1 382.472 1.709 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1)C(F)(F)F ZINC001573739875 948625246 /nfs/dbraw/zinc/62/52/46/948625246.db2.gz HVQLWVPIANPUOW-URPMGSGRSA-N -1 1 382.350 1.081 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1)C(F)(F)F ZINC001573739875 948625252 /nfs/dbraw/zinc/62/52/52/948625252.db2.gz HVQLWVPIANPUOW-URPMGSGRSA-N -1 1 382.350 1.081 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)c1cccnc1 ZINC001573740416 948634817 /nfs/dbraw/zinc/63/48/17/948634817.db2.gz OLWUTHMMNNYVIT-MEWXFMAXSA-N -1 1 391.439 1.081 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001573740416 948634820 /nfs/dbraw/zinc/63/48/20/948634820.db2.gz OLWUTHMMNNYVIT-MEWXFMAXSA-N -1 1 391.439 1.081 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)CC1)C(C)(F)F ZINC001573746522 948682157 /nfs/dbraw/zinc/68/21/57/948682157.db2.gz NMZHONFXHPAIPY-GMTAPVOTSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)CC1)C(C)(F)F ZINC001573746522 948682161 /nfs/dbraw/zinc/68/21/61/948682161.db2.gz NMZHONFXHPAIPY-GMTAPVOTSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1F ZINC001573746497 948682232 /nfs/dbraw/zinc/68/22/32/948682232.db2.gz KJJXQDLAJBISBP-UTUOFQBUSA-N -1 1 382.403 1.659 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1F ZINC001573746497 948682238 /nfs/dbraw/zinc/68/22/38/948682238.db2.gz KJJXQDLAJBISBP-UTUOFQBUSA-N -1 1 382.403 1.659 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CC1)[C@@H]1CCCO1 ZINC001573746895 948688011 /nfs/dbraw/zinc/68/80/11/948688011.db2.gz QLPCUPQAOQRLKK-ABHRYQDASA-N -1 1 386.460 1.311 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CC1)[C@@H]1CCCO1 ZINC001573746895 948688017 /nfs/dbraw/zinc/68/80/17/948688017.db2.gz QLPCUPQAOQRLKK-ABHRYQDASA-N -1 1 386.460 1.311 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)CC1)C(F)(F)F ZINC001573747450 948691720 /nfs/dbraw/zinc/69/17/20/948691720.db2.gz UZEKKKJHMUTXOA-OPRDCNLKSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)CC1)C(F)(F)F ZINC001573747450 948691726 /nfs/dbraw/zinc/69/17/26/948691726.db2.gz UZEKKKJHMUTXOA-OPRDCNLKSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@H](OC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)c1cccc(OC(F)F)c1 ZINC001573754376 948741789 /nfs/dbraw/zinc/74/17/89/948741789.db2.gz FRVMOMKFMNIQRD-IUCAKERBSA-N -1 1 379.327 1.925 20 0 GDADMM CC(C)c1ccc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)cc1 ZINC001574416147 948744410 /nfs/dbraw/zinc/74/44/10/948744410.db2.gz PPIGSCOHFUVXSF-UHFFFAOYSA-N -1 1 378.440 1.743 20 0 GDADMM CC(C)c1ccc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)cc1 ZINC001574416147 948744417 /nfs/dbraw/zinc/74/44/17/948744417.db2.gz PPIGSCOHFUVXSF-UHFFFAOYSA-N -1 1 378.440 1.743 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001574678386 948749368 /nfs/dbraw/zinc/74/93/68/948749368.db2.gz FGOOHUKESLSXAE-FPMFFAJLSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001574678386 948749374 /nfs/dbraw/zinc/74/93/74/948749374.db2.gz FGOOHUKESLSXAE-FPMFFAJLSA-N -1 1 379.428 1.162 20 0 GDADMM CC(C)c1ccc(C(=O)N2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)cn1 ZINC001574416543 948753773 /nfs/dbraw/zinc/75/37/73/948753773.db2.gz XKGXLCDTYRLXEC-UHFFFAOYSA-N -1 1 379.428 1.138 20 0 GDADMM CC(C)c1ccc(C(=O)N2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)cn1 ZINC001574416543 948753784 /nfs/dbraw/zinc/75/37/84/948753784.db2.gz XKGXLCDTYRLXEC-UHFFFAOYSA-N -1 1 379.428 1.138 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@H](C)[C@@H](C)Nc2nccnc2-c2nnn[n-]2)n1 ZINC001574416818 948761793 /nfs/dbraw/zinc/76/17/93/948761793.db2.gz JBHFYHBJQGYJJW-VXGBXAGGSA-N -1 1 381.444 1.794 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@H](C)[C@@H](C)Nc2nccnc2-c2nn[n-]n2)n1 ZINC001574416818 948761804 /nfs/dbraw/zinc/76/18/04/948761804.db2.gz JBHFYHBJQGYJJW-VXGBXAGGSA-N -1 1 381.444 1.794 20 0 GDADMM CC(C)c1cccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)CC2)c1 ZINC001574416822 948762736 /nfs/dbraw/zinc/76/27/36/948762736.db2.gz JMKBSJDHIKTLOM-UHFFFAOYSA-N -1 1 378.440 1.743 20 0 GDADMM CC(C)c1cccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)CC2)c1 ZINC001574416822 948762745 /nfs/dbraw/zinc/76/27/45/948762745.db2.gz JMKBSJDHIKTLOM-UHFFFAOYSA-N -1 1 378.440 1.743 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)Cc1cc(C2CC2)no1 ZINC001574678982 948764102 /nfs/dbraw/zinc/76/41/02/948764102.db2.gz LIAHKOMQNDKRKR-JTQLQIEISA-N -1 1 383.416 1.072 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)Cc1cc(C2CC2)no1 ZINC001574678982 948764114 /nfs/dbraw/zinc/76/41/14/948764114.db2.gz LIAHKOMQNDKRKR-JTQLQIEISA-N -1 1 383.416 1.072 20 0 GDADMM CC(C)[C@H](F)C(=O)N[C@@H]1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)C[C@H]1C ZINC001574079734 948778084 /nfs/dbraw/zinc/77/80/84/948778084.db2.gz GNKYRFLRSQZWCO-HLTSFMKQSA-N -1 1 387.872 1.912 20 0 GDADMM CC(C)c1ccccc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574420008 948794148 /nfs/dbraw/zinc/79/41/48/948794148.db2.gz OQEREIVKRQGPMC-ZDUSSCGKSA-N -1 1 378.440 1.529 20 0 GDADMM CC(F)(F)CC(=O)N1C[C@@]2(C)CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@]2(C)C1 ZINC001575224947 948797550 /nfs/dbraw/zinc/79/75/50/948797550.db2.gz UPKFRNSLXZJUMV-IYBDPMFKSA-N -1 1 392.414 1.377 20 0 GDADMM CC(F)(F)CC(=O)N1C[C@@]2(C)CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@]2(C)C1 ZINC001575224947 948797566 /nfs/dbraw/zinc/79/75/66/948797566.db2.gz UPKFRNSLXZJUMV-IYBDPMFKSA-N -1 1 392.414 1.377 20 0 GDADMM CC(F)(F)CC(=O)N[C@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001575224960 948798302 /nfs/dbraw/zinc/79/83/02/948798302.db2.gz UZKLNFZXASODBV-NSHDSACASA-N -1 1 378.387 1.177 20 0 GDADMM CC(F)(F)CC(=O)N[C@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001575224960 948798311 /nfs/dbraw/zinc/79/83/11/948798311.db2.gz UZKLNFZXASODBV-NSHDSACASA-N -1 1 378.387 1.177 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001575226219 948814735 /nfs/dbraw/zinc/81/47/35/948814735.db2.gz JJKRYXFSKAATLJ-NEPJUHHUSA-N -1 1 378.387 1.272 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001575226219 948814751 /nfs/dbraw/zinc/81/47/51/948814751.db2.gz JJKRYXFSKAATLJ-NEPJUHHUSA-N -1 1 378.387 1.272 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@@H]2[C@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001575227050 948825041 /nfs/dbraw/zinc/82/50/41/948825041.db2.gz RJWUCKHJEMCWRI-VXGBXAGGSA-N -1 1 378.387 1.272 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@@H]2[C@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001575227050 948825057 /nfs/dbraw/zinc/82/50/57/948825057.db2.gz RJWUCKHJEMCWRI-VXGBXAGGSA-N -1 1 378.387 1.272 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)CC1(C(F)(F)F)CC1 ZINC001574682193 948825811 /nfs/dbraw/zinc/82/58/11/948825811.db2.gz PPSIMKQEGHRTOY-SECBINFHSA-N -1 1 384.366 1.696 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)CC1(C(F)(F)F)CC1 ZINC001574682193 948825827 /nfs/dbraw/zinc/82/58/27/948825827.db2.gz PPSIMKQEGHRTOY-SECBINFHSA-N -1 1 384.366 1.696 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cccc2cnccc21 ZINC001574682237 948833974 /nfs/dbraw/zinc/83/39/74/948833974.db2.gz QOIPVTGWTFTION-GFCCVEGCSA-N -1 1 389.423 1.825 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cccc2cnccc21 ZINC001574682237 948833989 /nfs/dbraw/zinc/83/39/89/948833989.db2.gz QOIPVTGWTFTION-GFCCVEGCSA-N -1 1 389.423 1.825 20 0 GDADMM CC(C)c1ccoc1C(=O)N1C[C@H](C)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574422374 948834102 /nfs/dbraw/zinc/83/41/02/948834102.db2.gz ZQFBOWYZHSDAAJ-SMDDNHRTSA-N -1 1 382.428 1.946 20 0 GDADMM CC(C)c1ccoc1C(=O)N1C[C@H](C)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574422374 948834118 /nfs/dbraw/zinc/83/41/18/948834118.db2.gz ZQFBOWYZHSDAAJ-SMDDNHRTSA-N -1 1 382.428 1.946 20 0 GDADMM CC(C)c1ccsc1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574424183 948845490 /nfs/dbraw/zinc/84/54/90/948845490.db2.gz HMRXRLGBKJPADG-LLVKDONJSA-N -1 1 384.469 1.850 20 0 GDADMM CC(C)(C(=O)N(CCO)CCNc1cncc(-c2nnn[n-]2)n1)C1CCCC1 ZINC001573762022 948847975 /nfs/dbraw/zinc/84/79/75/948847975.db2.gz OZVFRBQAEPGAEK-UHFFFAOYSA-N -1 1 388.476 1.106 20 0 GDADMM CC(C)(C(=O)N(CCO)CCNc1cncc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573762022 948847991 /nfs/dbraw/zinc/84/79/91/948847991.db2.gz OZVFRBQAEPGAEK-UHFFFAOYSA-N -1 1 388.476 1.106 20 0 GDADMM C[C@@H](CNC(=O)CCCc1cccs1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574918503 948848569 /nfs/dbraw/zinc/84/85/69/948848569.db2.gz LTOMJMNWYSEDER-GFCCVEGCSA-N -1 1 386.485 1.905 20 0 GDADMM C[C@@H](CNC(=O)CCCc1cccs1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574918503 948848591 /nfs/dbraw/zinc/84/85/91/948848591.db2.gz LTOMJMNWYSEDER-GFCCVEGCSA-N -1 1 386.485 1.905 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccc2c(c1)COC2 ZINC001574683339 948851686 /nfs/dbraw/zinc/85/16/86/948851686.db2.gz XXOHEIJVZGKFOG-NSHDSACASA-N -1 1 380.412 1.307 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccc2c(c1)COC2 ZINC001574683339 948851705 /nfs/dbraw/zinc/85/17/05/948851705.db2.gz XXOHEIJVZGKFOG-NSHDSACASA-N -1 1 380.412 1.307 20 0 GDADMM CC(C)(C(=O)N1CCC(CNc2nccnc2-c2nnn[n-]2)CC1)C(F)F ZINC001573763094 948863308 /nfs/dbraw/zinc/86/33/08/948863308.db2.gz APMHQDVTCANKHX-UHFFFAOYSA-N -1 1 380.403 1.599 20 0 GDADMM CC(C)(C(=O)N1CCC(CNc2nccnc2-c2nn[n-]n2)CC1)C(F)F ZINC001573763094 948863324 /nfs/dbraw/zinc/86/33/24/948863324.db2.gz APMHQDVTCANKHX-UHFFFAOYSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)C[C@@H]1CCOC1 ZINC001574684369 948864473 /nfs/dbraw/zinc/86/44/73/948864473.db2.gz DWCZMNDKGKADDD-BDAKNGLRSA-N -1 1 385.881 1.710 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)C[C@@H]1CCOC1 ZINC001574684369 948864496 /nfs/dbraw/zinc/86/44/96/948864496.db2.gz DWCZMNDKGKADDD-BDAKNGLRSA-N -1 1 385.881 1.710 20 0 GDADMM CC(F)(F)CC(=O)NC[C@@]1(C)CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575231917 948870801 /nfs/dbraw/zinc/87/08/01/948870801.db2.gz APPAWXRKWXJEMM-OAHLLOKOSA-N -1 1 380.403 1.425 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)[C@@H]1CCCCO1 ZINC001573763929 948876490 /nfs/dbraw/zinc/87/64/90/948876490.db2.gz ITUGTVKVKUIOQL-OCCSQVGLSA-N -1 1 386.460 1.265 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)[C@@H]1CCCCO1 ZINC001573763929 948876511 /nfs/dbraw/zinc/87/65/11/948876511.db2.gz ITUGTVKVKUIOQL-OCCSQVGLSA-N -1 1 386.460 1.265 20 0 GDADMM CC(F)(F)CC(=O)NC[C@@H]1CCCCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575233208 948881034 /nfs/dbraw/zinc/88/10/34/948881034.db2.gz HYIWETPKQMCWTM-NSHDSACASA-N -1 1 380.403 1.567 20 0 GDADMM CC(F)(F)CC(=O)NC[C@@H]1CCCCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575233208 948881055 /nfs/dbraw/zinc/88/10/55/948881055.db2.gz HYIWETPKQMCWTM-NSHDSACASA-N -1 1 380.403 1.567 20 0 GDADMM CC(C)c1nc([C@@H]2COCCN2C(=O)Nc2ccnc(-c3nnn[n-]3)c2)no1 ZINC001574426403 948887892 /nfs/dbraw/zinc/88/78/92/948887892.db2.gz RLIOIOOAPDNOMZ-LBPRGKRZSA-N -1 1 385.388 1.374 20 0 GDADMM CC(C)c1nc([C@@H]2COCCN2C(=O)Nc2ccnc(-c3nn[n-]n3)c2)no1 ZINC001574426403 948887910 /nfs/dbraw/zinc/88/79/10/948887910.db2.gz RLIOIOOAPDNOMZ-LBPRGKRZSA-N -1 1 385.388 1.374 20 0 GDADMM CC(C)[C@@]1(C)C[C@H]1C(=O)N(C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574083825 948894321 /nfs/dbraw/zinc/89/43/21/948894321.db2.gz YQGPOXXNUDSZAI-IFXJQAMLSA-N -1 1 384.488 1.766 20 0 GDADMM CC(C)[C@@]1(C)C[C@H]1C(=O)N(C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574083825 948894332 /nfs/dbraw/zinc/89/43/32/948894332.db2.gz YQGPOXXNUDSZAI-IFXJQAMLSA-N -1 1 384.488 1.766 20 0 GDADMM CC(F)(F)CCC(=O)N1C[C@H](Nc2nccnc2-c2nnn[n-]2)C(C)(C)C1 ZINC001575234378 948900097 /nfs/dbraw/zinc/90/00/97/948900097.db2.gz BQVMBRHYEYLACX-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM CC(F)(F)CCC(=O)N1C[C@H](Nc2nccnc2-c2nn[n-]n2)C(C)(C)C1 ZINC001575234378 948900106 /nfs/dbraw/zinc/90/01/06/948900106.db2.gz BQVMBRHYEYLACX-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)[C@H]1CC1(F)F ZINC001574685070 948900941 /nfs/dbraw/zinc/90/09/41/948900941.db2.gz RYZLHXGDDDOZSN-NTSWFWBYSA-N -1 1 377.808 1.939 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)[C@H]1CC1(F)F ZINC001574685070 948900947 /nfs/dbraw/zinc/90/09/47/948900947.db2.gz RYZLHXGDDDOZSN-NTSWFWBYSA-N -1 1 377.808 1.939 20 0 GDADMM CC(C)(C(=O)N1CCC[C@H]2[C@H]1CCN2c1cncc(-c2nnn[n-]2)n1)C(F)F ZINC001573765334 948907032 /nfs/dbraw/zinc/90/70/32/948907032.db2.gz YTWANZYUIPJBLN-NWDGAFQWSA-N -1 1 392.414 1.518 20 0 GDADMM CC(C)(C(=O)N1CCC[C@H]2[C@H]1CCN2c1cncc(-c2nn[n-]n2)n1)C(F)F ZINC001573765334 948907052 /nfs/dbraw/zinc/90/70/52/948907052.db2.gz YTWANZYUIPJBLN-NWDGAFQWSA-N -1 1 392.414 1.518 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)s1 ZINC001574428010 948922368 /nfs/dbraw/zinc/92/23/68/948922368.db2.gz XPAUHLHAWRXPCL-MGCOHNPYSA-N -1 1 385.457 1.610 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)s1 ZINC001574428010 948922380 /nfs/dbraw/zinc/92/23/80/948922380.db2.gz XPAUHLHAWRXPCL-MGCOHNPYSA-N -1 1 385.457 1.610 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@]2(C)C1)C(F)F ZINC001573765811 948926865 /nfs/dbraw/zinc/92/68/65/948926865.db2.gz JFXHBLNLZGKBTQ-QGHHPUGFSA-N -1 1 392.414 1.233 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@](C)(CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575235891 948933109 /nfs/dbraw/zinc/93/31/09/948933109.db2.gz SHOUXCFRFRGGLW-OAHLLOKOSA-N -1 1 380.403 1.743 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@](C)(CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575235891 948933119 /nfs/dbraw/zinc/93/31/19/948933119.db2.gz SHOUXCFRFRGGLW-OAHLLOKOSA-N -1 1 380.403 1.743 20 0 GDADMM CC(F)(F)CCC(=O)NC1(C)CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575236075 948933795 /nfs/dbraw/zinc/93/37/95/948933795.db2.gz UZLCWNYJOTVZRB-UHFFFAOYSA-N -1 1 380.403 1.567 20 0 GDADMM CC(F)(F)CCC(=O)NC1(C)CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575236075 948933803 /nfs/dbraw/zinc/93/38/03/948933803.db2.gz UZLCWNYJOTVZRB-UHFFFAOYSA-N -1 1 380.403 1.567 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001575236087 948935275 /nfs/dbraw/zinc/93/52/75/948935275.db2.gz VIYHMKVARCEZJW-WDEREUQCSA-N -1 1 378.387 1.129 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574432740 948940282 /nfs/dbraw/zinc/94/02/82/948940282.db2.gz CMRRVGMORMIYPK-MGCOHNPYSA-N -1 1 385.457 1.610 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574432740 948940289 /nfs/dbraw/zinc/94/02/89/948940289.db2.gz CMRRVGMORMIYPK-MGCOHNPYSA-N -1 1 385.457 1.610 20 0 GDADMM CC(C)(C(=O)N[C@@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C12CCC2)C(F)F ZINC001573771453 948942765 /nfs/dbraw/zinc/94/27/65/948942765.db2.gz HVEVXWXOTWPCQW-GHMZBOCLSA-N -1 1 392.414 1.787 20 0 GDADMM CC(C)(C(=O)N[C@@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C12CCC2)C(F)F ZINC001573771453 948942776 /nfs/dbraw/zinc/94/27/76/948942776.db2.gz HVEVXWXOTWPCQW-GHMZBOCLSA-N -1 1 392.414 1.787 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C(F)F ZINC001573771670 948944699 /nfs/dbraw/zinc/94/46/99/948944699.db2.gz KKUYQJFATGAQCA-ZJUUUORDSA-N -1 1 380.403 1.787 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C(F)F ZINC001573771670 948944705 /nfs/dbraw/zinc/94/47/05/948944705.db2.gz KKUYQJFATGAQCA-ZJUUUORDSA-N -1 1 380.403 1.787 20 0 GDADMM CC(F)(F)CCC(=O)NC[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575237341 948944868 /nfs/dbraw/zinc/94/48/68/948944868.db2.gz FFZMVJXVHIJTBY-LLVKDONJSA-N -1 1 380.403 1.425 20 0 GDADMM CC(F)(F)CCC(=O)NC[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575237341 948944876 /nfs/dbraw/zinc/94/48/76/948944876.db2.gz FFZMVJXVHIJTBY-LLVKDONJSA-N -1 1 380.403 1.425 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575237529 948947378 /nfs/dbraw/zinc/94/73/78/948947378.db2.gz HASHWVQEDCCKJQ-GHMZBOCLSA-N -1 1 380.403 1.211 20 0 GDADMM CC(C)(C(=O)N[C@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nn1)CC2)C1CC1 ZINC001573772114 948952685 /nfs/dbraw/zinc/95/26/85/948952685.db2.gz QZVBLQQOVNUNDG-AWEZNQCLSA-N -1 1 382.472 1.568 20 0 GDADMM CC(C)(C(=O)N[C@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nn1)CC2)C1CC1 ZINC001573772114 948952696 /nfs/dbraw/zinc/95/26/96/948952696.db2.gz QZVBLQQOVNUNDG-AWEZNQCLSA-N -1 1 382.472 1.568 20 0 GDADMM CC(C)[C@@]1(C)C[C@H]1C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001574089361 948953979 /nfs/dbraw/zinc/95/39/79/948953979.db2.gz JNHYZIYEUBMZHL-SCLBCKFNSA-N -1 1 384.488 1.602 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574433390 948957246 /nfs/dbraw/zinc/95/72/46/948957246.db2.gz KTFIHWTXYIYMIU-MGCOHNPYSA-N -1 1 385.457 1.610 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574433390 948957252 /nfs/dbraw/zinc/95/72/52/948957252.db2.gz KTFIHWTXYIYMIU-MGCOHNPYSA-N -1 1 385.457 1.610 20 0 GDADMM CC(C)(C(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)C(F)(F)F ZINC001573772561 948961482 /nfs/dbraw/zinc/96/14/82/948961482.db2.gz UWTXHFHZARXBQV-VIFPVBQESA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)(C(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)C(F)(F)F ZINC001573772561 948961495 /nfs/dbraw/zinc/96/14/95/948961495.db2.gz UWTXHFHZARXBQV-VIFPVBQESA-N -1 1 384.366 1.552 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C ZINC001575239462 948961694 /nfs/dbraw/zinc/96/16/94/948961694.db2.gz SRTYQCFBOBLYSJ-LLVKDONJSA-N -1 1 380.403 1.423 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C ZINC001575239462 948961704 /nfs/dbraw/zinc/96/17/04/948961704.db2.gz SRTYQCFBOBLYSJ-LLVKDONJSA-N -1 1 380.403 1.423 20 0 GDADMM CC(F)(F)CCC(=O)NCCC1(CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575239854 948964094 /nfs/dbraw/zinc/96/40/94/948964094.db2.gz WMGDZEZRAYMMRC-UHFFFAOYSA-N -1 1 380.403 1.791 20 0 GDADMM CC(F)(F)CCC(=O)NCCC1(CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575239854 948964103 /nfs/dbraw/zinc/96/41/03/948964103.db2.gz WMGDZEZRAYMMRC-UHFFFAOYSA-N -1 1 380.403 1.791 20 0 GDADMM CC(C)c1ncsc1C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574433822 948967800 /nfs/dbraw/zinc/96/78/00/948967800.db2.gz RPNWDACMAWYRCO-UHFFFAOYSA-N -1 1 385.457 1.611 20 0 GDADMM CC(C)c1ncsc1C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574433822 948967809 /nfs/dbraw/zinc/96/78/09/948967809.db2.gz RPNWDACMAWYRCO-UHFFFAOYSA-N -1 1 385.457 1.611 20 0 GDADMM CC(C)c1ncsc1C(=O)NCC[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574433897 948968211 /nfs/dbraw/zinc/96/82/11/948968211.db2.gz VCHXWVOEWRSIPP-JTQLQIEISA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)c1ncsc1C(=O)NCC[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574433897 948968222 /nfs/dbraw/zinc/96/82/22/948968222.db2.gz VCHXWVOEWRSIPP-JTQLQIEISA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)(C(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001573772906 948969535 /nfs/dbraw/zinc/96/95/35/948969535.db2.gz YESPUFRSDFTJPW-UHFFFAOYSA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)(C(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001573772906 948969548 /nfs/dbraw/zinc/96/95/48/948969548.db2.gz YESPUFRSDFTJPW-UHFFFAOYSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)C(C)(C)c1ccccc1 ZINC001574689736 948991166 /nfs/dbraw/zinc/99/11/66/948991166.db2.gz KTEVLBWHFYERGT-ZDUSSCGKSA-N -1 1 380.456 1.941 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)C(C)(C)c1ccccc1 ZINC001574689736 948991188 /nfs/dbraw/zinc/99/11/88/948991188.db2.gz KTEVLBWHFYERGT-ZDUSSCGKSA-N -1 1 380.456 1.941 20 0 GDADMM CC(C)(C(=O)NC[C@@H](O)CNc1nc(Cl)c(-c2nnn[n-]2)s1)C1CC1 ZINC001573774088 949000965 /nfs/dbraw/zinc/00/09/65/949000965.db2.gz JXNODNUBWVZRPX-MRVPVSSYSA-N -1 1 385.881 1.302 20 0 GDADMM CC(C)(C(=O)NC[C@@H](O)CNc1nc(Cl)c(-c2nn[n-]n2)s1)C1CC1 ZINC001573774088 949000975 /nfs/dbraw/zinc/00/09/75/949000975.db2.gz JXNODNUBWVZRPX-MRVPVSSYSA-N -1 1 385.881 1.302 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)NCC1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574091045 949002550 /nfs/dbraw/zinc/00/25/50/949002550.db2.gz MPRQTWPXDFZEJB-KGLIPLIRSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@H]1CCC(F)(F)C1 ZINC001574690488 949002462 /nfs/dbraw/zinc/00/24/62/949002462.db2.gz PEMXCFWSBMHMOV-WDEREUQCSA-N -1 1 380.403 1.789 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@H]1CCC(F)(F)C1 ZINC001574690488 949002478 /nfs/dbraw/zinc/00/24/78/949002478.db2.gz PEMXCFWSBMHMOV-WDEREUQCSA-N -1 1 380.403 1.789 20 0 GDADMM C[C@@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001575501347 949005001 /nfs/dbraw/zinc/00/50/01/949005001.db2.gz HERFDVDESYCZQC-MRVPVSSYSA-N -1 1 397.424 1.499 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)C(C)(C)c1cccnc1 ZINC001574690905 949007736 /nfs/dbraw/zinc/00/77/36/949007736.db2.gz RRGHZLGVVOLBQZ-LBPRGKRZSA-N -1 1 381.444 1.336 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)C(C)(C)c1cccnc1 ZINC001574690905 949007751 /nfs/dbraw/zinc/00/77/51/949007751.db2.gz RRGHZLGVVOLBQZ-LBPRGKRZSA-N -1 1 381.444 1.336 20 0 GDADMM CC(C)c1nnsc1C(=O)N[C@@H](C)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574439816 949010138 /nfs/dbraw/zinc/01/01/38/949010138.db2.gz JBOVZNPPAOXRGI-IUCAKERBSA-N -1 1 388.461 1.251 20 0 GDADMM CC(C)c1nnsc1C(=O)N[C@@H](C)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574439816 949010157 /nfs/dbraw/zinc/01/01/57/949010157.db2.gz JBOVZNPPAOXRGI-IUCAKERBSA-N -1 1 388.461 1.251 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1)c1ccccc1 ZINC001573778976 949049153 /nfs/dbraw/zinc/04/91/53/949049153.db2.gz BCSAAKHCQPTYIT-HNNXBMFYSA-N -1 1 392.467 1.720 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1)c1ccccc1 ZINC001573778976 949049170 /nfs/dbraw/zinc/04/91/70/949049170.db2.gz BCSAAKHCQPTYIT-HNNXBMFYSA-N -1 1 392.467 1.720 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574441147 949055195 /nfs/dbraw/zinc/05/51/95/949055195.db2.gz FYAIQQMAEACGLT-NSHDSACASA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001573779227 949056140 /nfs/dbraw/zinc/05/61/40/949056140.db2.gz DQWUREBGYXYNEQ-VIFPVBQESA-N -1 1 384.366 1.188 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001573779227 949056162 /nfs/dbraw/zinc/05/61/62/949056162.db2.gz DQWUREBGYXYNEQ-VIFPVBQESA-N -1 1 384.366 1.188 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)c1ccncn1 ZINC001574693809 949063490 /nfs/dbraw/zinc/06/34/90/949063490.db2.gz JSTODHZPSNWKFW-SSDOTTSWSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)c1ccncn1 ZINC001574693809 949063509 /nfs/dbraw/zinc/06/35/09/949063509.db2.gz JSTODHZPSNWKFW-SSDOTTSWSA-N -1 1 379.837 1.387 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCCCN1c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001573779674 949067027 /nfs/dbraw/zinc/06/70/27/949067027.db2.gz LTLBEPZYGAWRJB-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCCCN1c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001573779674 949067045 /nfs/dbraw/zinc/06/70/45/949067045.db2.gz LTLBEPZYGAWRJB-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001573779908 949076117 /nfs/dbraw/zinc/07/61/17/949076117.db2.gz PGTDILIQBZOVTH-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573779908 949076133 /nfs/dbraw/zinc/07/61/33/949076133.db2.gz PGTDILIQBZOVTH-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001574441776 949078877 /nfs/dbraw/zinc/07/88/77/949078877.db2.gz WSSXAWVUJADKIE-ZWNOBZJWSA-N -1 1 383.416 1.023 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001574441776 949078899 /nfs/dbraw/zinc/07/88/99/949078899.db2.gz WSSXAWVUJADKIE-ZWNOBZJWSA-N -1 1 383.416 1.023 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001574442041 949092451 /nfs/dbraw/zinc/09/24/51/949092451.db2.gz KGWLYYAKTMXEED-ZDUSSCGKSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001574442041 949092470 /nfs/dbraw/zinc/09/24/70/949092470.db2.gz KGWLYYAKTMXEED-ZDUSSCGKSA-N -1 1 383.416 1.389 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1csc(Cl)n1 ZINC001574695558 949113219 /nfs/dbraw/zinc/11/32/19/949113219.db2.gz ICRAAMKVBDLLOG-ZETCQYMHSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1csc(Cl)n1 ZINC001574695558 949113229 /nfs/dbraw/zinc/11/32/29/949113229.db2.gz ICRAAMKVBDLLOG-ZETCQYMHSA-N -1 1 379.837 1.387 20 0 GDADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)NCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574093751 949118464 /nfs/dbraw/zinc/11/84/64/949118464.db2.gz YHUNVTPRXABCDL-AUUYWEPGSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)NCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574093751 949118472 /nfs/dbraw/zinc/11/84/72/949118472.db2.gz YHUNVTPRXABCDL-AUUYWEPGSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccc(C2CC2)cn1 ZINC001574695981 949121019 /nfs/dbraw/zinc/12/10/19/949121019.db2.gz LJQYVTVIHIKLLS-NSHDSACASA-N -1 1 379.428 1.550 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccc(C2CC2)cn1 ZINC001574695981 949121050 /nfs/dbraw/zinc/12/10/50/949121050.db2.gz LJQYVTVIHIKLLS-NSHDSACASA-N -1 1 379.428 1.550 20 0 GDADMM CC(C)c1occc1C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001574446412 949130122 /nfs/dbraw/zinc/13/01/22/949130122.db2.gz PGPJUIMKFUXUAY-HAQNSBGRSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1occc1C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001574446412 949130140 /nfs/dbraw/zinc/13/01/40/949130140.db2.gz PGPJUIMKFUXUAY-HAQNSBGRSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1occc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C ZINC001574446580 949132809 /nfs/dbraw/zinc/13/28/09/949132809.db2.gz RUDPRDQYXFLFHX-BXUZGUMPSA-N -1 1 382.428 1.628 20 0 GDADMM CC(C)c1occc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C ZINC001574446580 949132827 /nfs/dbraw/zinc/13/28/27/949132827.db2.gz RUDPRDQYXFLFHX-BXUZGUMPSA-N -1 1 382.428 1.628 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)[C@@]1(F)CCOC1 ZINC001574696667 949136745 /nfs/dbraw/zinc/13/67/45/949136745.db2.gz UDLHZGMQBNTZOL-WPPNPWJKSA-N -1 1 389.844 1.412 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@@]1(F)CCOC1 ZINC001574696667 949136757 /nfs/dbraw/zinc/13/67/57/949136757.db2.gz UDLHZGMQBNTZOL-WPPNPWJKSA-N -1 1 389.844 1.412 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cc2c(s1)CCC2 ZINC001574697164 949149600 /nfs/dbraw/zinc/14/96/00/949149600.db2.gz ZILIBDWULYLVQP-JTQLQIEISA-N -1 1 384.469 1.827 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cc2c(s1)CCC2 ZINC001574697164 949149616 /nfs/dbraw/zinc/14/96/16/949149616.db2.gz ZILIBDWULYLVQP-JTQLQIEISA-N -1 1 384.469 1.827 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574447521 949162999 /nfs/dbraw/zinc/16/29/99/949162999.db2.gz RDXFATPAYORNOE-XYPYZODXSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574447521 949163006 /nfs/dbraw/zinc/16/30/06/949163006.db2.gz RDXFATPAYORNOE-XYPYZODXSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1ocnc1C(=O)NCCN(c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001574447719 949170407 /nfs/dbraw/zinc/17/04/07/949170407.db2.gz YSRSRYXBETVWEB-UHFFFAOYSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1ocnc1C(=O)NCCN(c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001574447719 949170424 /nfs/dbraw/zinc/17/04/24/949170424.db2.gz YSRSRYXBETVWEB-UHFFFAOYSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1oncc1C(=O)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574448000 949173561 /nfs/dbraw/zinc/17/35/61/949173561.db2.gz BBEGVVUDHGLVDL-LLVKDONJSA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1oncc1C(=O)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574448000 949173575 /nfs/dbraw/zinc/17/35/75/949173575.db2.gz BBEGVVUDHGLVDL-LLVKDONJSA-N -1 1 383.416 1.485 20 0 GDADMM C[C@@H](NC(=O)C1(c2ccccc2)CC1)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575253604 949193407 /nfs/dbraw/zinc/19/34/07/949193407.db2.gz KZDVGFKZNUGHDJ-CHWSQXEVSA-N -1 1 378.440 1.694 20 0 GDADMM C[C@@H](NC(=O)C1(c2ccccc2)CC1)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575253604 949193413 /nfs/dbraw/zinc/19/34/13/949193413.db2.gz KZDVGFKZNUGHDJ-CHWSQXEVSA-N -1 1 378.440 1.694 20 0 GDADMM C[C@H]1CCC[C@@]1(C)C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001576151218 949209085 /nfs/dbraw/zinc/20/90/85/949209085.db2.gz DQXKGGNWBOPLEI-YVEFUNNKSA-N -1 1 390.513 1.417 20 0 GDADMM CC(C)c1oncc1C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001574451091 949212240 /nfs/dbraw/zinc/21/22/40/949212240.db2.gz BICZLYKDZYDACG-NSHDSACASA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1oncc1C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001574451091 949212255 /nfs/dbraw/zinc/21/22/55/949212255.db2.gz BICZLYKDZYDACG-NSHDSACASA-N -1 1 383.416 1.167 20 0 GDADMM C[C@@H](NC(=O)C1(C(F)F)CC1)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575254798 949217085 /nfs/dbraw/zinc/21/70/85/949217085.db2.gz XWXGHLZHMWIFQH-MNOVXSKESA-N -1 1 392.414 1.423 20 0 GDADMM C[C@@H](NC(=O)C1(C(F)F)CC1)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575254798 949217106 /nfs/dbraw/zinc/21/71/06/949217106.db2.gz XWXGHLZHMWIFQH-MNOVXSKESA-N -1 1 392.414 1.423 20 0 GDADMM CC(C)c1oncc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1 ZINC001574451256 949223273 /nfs/dbraw/zinc/22/32/73/949223273.db2.gz IPBDXIPPHJXXMP-RTXFEEFZSA-N -1 1 395.427 1.308 20 0 GDADMM CC(C)c1scnc1C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574451775 949243707 /nfs/dbraw/zinc/24/37/07/949243707.db2.gz XYRFDCGFMHFUNZ-JTQLQIEISA-N -1 1 385.457 1.563 20 0 GDADMM CC(C)c1scnc1C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574451775 949243734 /nfs/dbraw/zinc/24/37/34/949243734.db2.gz XYRFDCGFMHFUNZ-JTQLQIEISA-N -1 1 385.457 1.563 20 0 GDADMM CC(C)(C)C(=O)N1CCC[C@H]([C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001573792616 949254953 /nfs/dbraw/zinc/25/49/53/949254953.db2.gz RRKNRMPWZVDWJO-KBPBESRZSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)(C)C(=O)N1CCC[C@H]([C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001573792616 949254968 /nfs/dbraw/zinc/25/49/68/949254968.db2.gz RRKNRMPWZVDWJO-KBPBESRZSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)CC(=O)N1CC2(C[C@H]1C)CCN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001574103684 949260359 /nfs/dbraw/zinc/26/03/59/949260359.db2.gz ZZYITFXTRGSROA-CQSZACIVSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(Cl)c1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574940622 949266786 /nfs/dbraw/zinc/26/67/86/949266786.db2.gz HRFSWAFZEYCBLY-LLVKDONJSA-N -1 1 386.847 1.717 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(Cl)c1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574940622 949266802 /nfs/dbraw/zinc/26/68/02/949266802.db2.gz HRFSWAFZEYCBLY-LLVKDONJSA-N -1 1 386.847 1.717 20 0 GDADMM C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(Cc2ccc(-c3nnn[n-]3)o2)C1=O ZINC001575857800 949278437 /nfs/dbraw/zinc/27/84/37/949278437.db2.gz VVRJXCGPGPJBCY-GOSISDBHSA-N -1 1 396.363 1.198 20 0 GDADMM C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(Cc2ccc(-c3nn[n-]n3)o2)C1=O ZINC001575857800 949278462 /nfs/dbraw/zinc/27/84/62/949278462.db2.gz VVRJXCGPGPJBCY-GOSISDBHSA-N -1 1 396.363 1.198 20 0 GDADMM C[C@@H](NC(=O)C1CC(C)(C)C1)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575257573 949279016 /nfs/dbraw/zinc/27/90/16/949279016.db2.gz AUPWROZDKRBDOD-CHWSQXEVSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](NC(=O)C1CC(C)(C)C1)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575257573 949279040 /nfs/dbraw/zinc/27/90/40/949279040.db2.gz AUPWROZDKRBDOD-CHWSQXEVSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)n1ccc(C(=O)N(C)C2CC(Nc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001574455248 949299928 /nfs/dbraw/zinc/29/99/28/949299928.db2.gz NBXRQWHPUQBNOD-UHFFFAOYSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1ccc(C(=O)N(C)C2CC(Nc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001574455248 949299950 /nfs/dbraw/zinc/29/99/50/949299950.db2.gz NBXRQWHPUQBNOD-UHFFFAOYSA-N -1 1 382.432 1.149 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cnco1 ZINC001576153841 949301663 /nfs/dbraw/zinc/30/16/63/949301663.db2.gz BQNWYICZVCLSAG-DIFFPNOSSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cnco1 ZINC001576153841 949301683 /nfs/dbraw/zinc/30/16/83/949301683.db2.gz BQNWYICZVCLSAG-DIFFPNOSSA-N -1 1 383.416 1.436 20 0 GDADMM CC1=C(C)C[C@](C)(C(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001575860657 949308776 /nfs/dbraw/zinc/30/87/76/949308776.db2.gz KRBFVYSMPMEEEY-AUUYWEPGSA-N -1 1 382.472 1.878 20 0 GDADMM CC1=C(C)C[C@](C)(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001575860657 949308796 /nfs/dbraw/zinc/30/87/96/949308796.db2.gz KRBFVYSMPMEEEY-AUUYWEPGSA-N -1 1 382.472 1.878 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(C(F)F)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001574941549 949311964 /nfs/dbraw/zinc/31/19/64/949311964.db2.gz RSWLAYLMGGCIMJ-SNVBAGLBSA-N -1 1 388.382 1.754 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(C(F)F)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001574941549 949311987 /nfs/dbraw/zinc/31/19/87/949311987.db2.gz RSWLAYLMGGCIMJ-SNVBAGLBSA-N -1 1 388.382 1.754 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H](c1ccccc1)C1CC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574703136 949312467 /nfs/dbraw/zinc/31/24/67/949312467.db2.gz RKSXQIPFHURMIW-DYVFJYSZSA-N -1 1 392.467 1.531 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H](c1ccccc1)C1CC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574703137 949313215 /nfs/dbraw/zinc/31/32/15/949313215.db2.gz RKSXQIPFHURMIW-GUYCJALGSA-N -1 1 392.467 1.531 20 0 GDADMM C[C@@H]1CCC[C@]1(C)C(=O)N1CCC(N(C)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576154234 949329484 /nfs/dbraw/zinc/32/94/84/949329484.db2.gz OGOJMZWYJAKWGC-YJYMSZOUSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CCC[C@@H]1CC(=O)NC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576154244 949330105 /nfs/dbraw/zinc/33/01/05/949330105.db2.gz CTZRWTCPFZURBN-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCC[C@@H]1CC(=O)NC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576154244 949330129 /nfs/dbraw/zinc/33/01/29/949330129.db2.gz CTZRWTCPFZURBN-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccon1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001574942710 949366551 /nfs/dbraw/zinc/36/65/51/949366551.db2.gz RLMZXRZHMOSZPG-ZETCQYMHSA-N -1 1 382.837 1.148 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccon1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001574942710 949366577 /nfs/dbraw/zinc/36/65/77/949366577.db2.gz RLMZXRZHMOSZPG-ZETCQYMHSA-N -1 1 382.837 1.148 20 0 GDADMM O=C([O-])c1ccc(CS(=O)(=O)C2N=NC(=O)N2CCc2ccccc2)cc1 ZINC001595233366 949369658 /nfs/dbraw/zinc/36/96/58/949369658.db2.gz LRVFISPRGPPSFZ-UHFFFAOYSA-N -1 1 387.417 1.899 20 0 GDADMM C[C@H]1CCC[C@H](C(=O)NC2(C)CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576155042 949381852 /nfs/dbraw/zinc/38/18/52/949381852.db2.gz SLKJTRLEFDNUBH-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCC[C@H](C(=O)NC2(C)CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001576155042 949381875 /nfs/dbraw/zinc/38/18/75/949381875.db2.gz SLKJTRLEFDNUBH-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C(=O)N2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3CN2c2nccnc2-c2nnn[n-]2)CC1 ZINC001575527971 949386325 /nfs/dbraw/zinc/38/63/25/949386325.db2.gz KMWYKLFCJJMJLL-CRWXNKLISA-N -1 1 380.456 1.130 20 0 GDADMM CC1(C(=O)N2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3CN2c2nccnc2-c2nn[n-]n2)CC1 ZINC001575527971 949386346 /nfs/dbraw/zinc/38/63/46/949386346.db2.gz KMWYKLFCJJMJLL-CRWXNKLISA-N -1 1 380.456 1.130 20 0 GDADMM CC(C)n1cnc(C(=O)N2CCC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001574463920 949392047 /nfs/dbraw/zinc/39/20/47/949392047.db2.gz BFWOAZYTCXOHRN-LBPRGKRZSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1cnc(C(=O)N2CCC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001574463920 949392064 /nfs/dbraw/zinc/39/20/64/949392064.db2.gz BFWOAZYTCXOHRN-LBPRGKRZSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C(C)(C)C(F)F)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575866115 949393885 /nfs/dbraw/zinc/39/38/85/949393885.db2.gz CYZJCFSLLBFYDM-ZJUUUORDSA-N -1 1 380.403 1.422 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C(C)(C)C(F)F)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575866115 949393907 /nfs/dbraw/zinc/39/39/07/949393907.db2.gz CYZJCFSLLBFYDM-ZJUUUORDSA-N -1 1 380.403 1.422 20 0 GDADMM C[C@@H]1CCC[C@H]1CC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001576155306 949395654 /nfs/dbraw/zinc/39/56/54/949395654.db2.gz HWUNIMPMDLSWGS-BARDWOONSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H]1CCCC[C@H]1C(=O)N(C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576155282 949397772 /nfs/dbraw/zinc/39/77/72/949397772.db2.gz HTNZRTRUCLITRQ-DZGCQCFKSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CCCC[C@H]1C(=O)N(C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576155282 949397790 /nfs/dbraw/zinc/39/77/90/949397790.db2.gz HTNZRTRUCLITRQ-DZGCQCFKSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1C(=O)Nc2cc(C(=O)N(C)c3ccc(-c4nnn[n-]4)nc3)ccc2N1C ZINC001575866307 949404129 /nfs/dbraw/zinc/40/41/29/949404129.db2.gz RLCLUIWYMHOXHH-JTQLQIEISA-N -1 1 378.396 1.315 20 0 GDADMM C[C@H]1C(=O)Nc2cc(C(=O)N(C)c3ccc(-c4nn[n-]n4)nc3)ccc2N1C ZINC001575866307 949404142 /nfs/dbraw/zinc/40/41/42/949404142.db2.gz RLCLUIWYMHOXHH-JTQLQIEISA-N -1 1 378.396 1.315 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574464274 949407474 /nfs/dbraw/zinc/40/74/74/949407474.db2.gz IKJUFSXFGHGDGT-BETUJISGSA-N -1 1 381.444 1.660 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574464274 949407492 /nfs/dbraw/zinc/40/74/92/949407492.db2.gz IKJUFSXFGHGDGT-BETUJISGSA-N -1 1 381.444 1.660 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574464511 949410838 /nfs/dbraw/zinc/41/08/38/949410838.db2.gz JZPKFXOFCHNXOV-BETUJISGSA-N -1 1 381.444 1.660 20 0 GDADMM C[C@H](NC(=O)CC(F)(F)C(F)F)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575263835 949410962 /nfs/dbraw/zinc/41/09/62/949410962.db2.gz KBQSRMXZZGPOGD-BQBZGAKWSA-N -1 1 376.318 1.252 20 0 GDADMM C[C@H](NC(=O)CC(F)(F)C(F)F)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575263835 949410977 /nfs/dbraw/zinc/41/09/77/949410977.db2.gz KBQSRMXZZGPOGD-BQBZGAKWSA-N -1 1 376.318 1.252 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574464511 949410851 /nfs/dbraw/zinc/41/08/51/949410851.db2.gz JZPKFXOFCHNXOV-BETUJISGSA-N -1 1 381.444 1.660 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574464577 949414656 /nfs/dbraw/zinc/41/46/56/949414656.db2.gz MUCREGRYROHWOY-SFHVURJKSA-N -1 1 381.444 1.438 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574464577 949414672 /nfs/dbraw/zinc/41/46/72/949414672.db2.gz MUCREGRYROHWOY-SFHVURJKSA-N -1 1 381.444 1.438 20 0 GDADMM C[C@@]1(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CCc2ccccc21 ZINC001575535739 949452921 /nfs/dbraw/zinc/45/29/21/949452921.db2.gz AIUOLLMWTUBBKK-VBKZILBWSA-N -1 1 390.451 1.574 20 0 GDADMM C[C@@]1(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CCc2ccccc21 ZINC001575535739 949452933 /nfs/dbraw/zinc/45/29/33/949452933.db2.gz AIUOLLMWTUBBKK-VBKZILBWSA-N -1 1 390.451 1.574 20 0 GDADMM CC(C)n1nccc1C(=O)N1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001574468054 949453400 /nfs/dbraw/zinc/45/34/00/949453400.db2.gz GKBQTMFXETVQHR-LBPRGKRZSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1nccc1C(=O)N1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001574468054 949453420 /nfs/dbraw/zinc/45/34/20/949453420.db2.gz GKBQTMFXETVQHR-LBPRGKRZSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@@H]1CCC[C@H]1CC(=O)N1CCC(N(C)c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001576156633 949455551 /nfs/dbraw/zinc/45/55/51/949455551.db2.gz NUCPQAHIESIZOC-KGLIPLIRSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCC[C@H]1CC(=O)N1CCC(N(C)c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001576156633 949455559 /nfs/dbraw/zinc/45/55/59/949455559.db2.gz NUCPQAHIESIZOC-KGLIPLIRSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)(C)C(=O)NC[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCC1(F)F ZINC001573803951 949457847 /nfs/dbraw/zinc/45/78/47/949457847.db2.gz YFLSRIMTVQJSSL-JTQLQIEISA-N -1 1 380.403 1.281 20 0 GDADMM CC(C)n1cnc2ccc(CNS(=O)(=O)c3ccc(-c4nn[n-]n4)o3)cc21 ZINC001574468808 949467741 /nfs/dbraw/zinc/46/77/41/949467741.db2.gz SCUWOLJILVNQEE-UHFFFAOYSA-N -1 1 387.425 1.869 20 0 GDADMM C[C@@H](NC(=O)CC(F)(F)F)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575266182 949471926 /nfs/dbraw/zinc/47/19/26/949471926.db2.gz XTQDRWTTXYYPHN-NXEZZACHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H]1CCC[C@H]1CC(=O)NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576157337 949481198 /nfs/dbraw/zinc/48/11/98/949481198.db2.gz PTXCQWIXONRMRV-ZFWWWQNUSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@]1(C(=O)N2CC[C@H](Nc3nc(-c4nn[n-]n4)c(Cl)s3)C2)CCOC1 ZINC001575537169 949490255 /nfs/dbraw/zinc/49/02/55/949490255.db2.gz SHRUIZKHTBHRIK-RTHLEPHNSA-N -1 1 383.865 1.416 20 0 GDADMM C[C@H]1[C@@H](CO)CCN1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC001575870650 949496530 /nfs/dbraw/zinc/49/65/30/949496530.db2.gz VWPBXYIJAJGDNY-WDEREUQCSA-N -1 1 386.391 1.426 20 0 GDADMM CC(C)n1nccc1C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCC1 ZINC001574470422 949498517 /nfs/dbraw/zinc/49/85/17/949498517.db2.gz PVBOAZWNRCNCMQ-UHFFFAOYSA-N -1 1 382.432 1.199 20 0 GDADMM CC(C)n1nccc1C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCC1 ZINC001574470422 949498533 /nfs/dbraw/zinc/49/85/33/949498533.db2.gz PVBOAZWNRCNCMQ-UHFFFAOYSA-N -1 1 382.432 1.199 20 0 GDADMM C[C@H]1CCC[C@@H]1CC(=O)N1CCC(N(C)c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576158573 949499781 /nfs/dbraw/zinc/49/97/81/949499781.db2.gz UIBFBCOHGWFRNY-UONOGXRCSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CCC[C@@H]1CC(=O)N1CCC(N(C)c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576158573 949499787 /nfs/dbraw/zinc/49/97/87/949499787.db2.gz UIBFBCOHGWFRNY-UONOGXRCSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)n1nccc1C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574470732 949507282 /nfs/dbraw/zinc/50/72/82/949507282.db2.gz SZYMLUKSYLLGNG-TXEJJXNPSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1nccc1C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574470732 949507302 /nfs/dbraw/zinc/50/73/02/949507302.db2.gz SZYMLUKSYLLGNG-TXEJJXNPSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2(C(F)F)CC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575871056 949507602 /nfs/dbraw/zinc/50/76/02/949507602.db2.gz YFJRKRLAMMROQM-UWVGGRQHSA-N -1 1 378.387 1.176 20 0 GDADMM C[C@H]1CCC[C@H]1CC(=O)N1CCC(N(C)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576158835 949507544 /nfs/dbraw/zinc/50/75/44/949507544.db2.gz VAJSFDIWFRFIDY-KBPBESRZSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1CCCOC1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574709561 949507912 /nfs/dbraw/zinc/50/79/12/949507912.db2.gz ZZADAGDGKVSFJB-IUCAKERBSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1CCCOC1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574709561 949507938 /nfs/dbraw/zinc/50/79/38/949507938.db2.gz ZZADAGDGKVSFJB-IUCAKERBSA-N -1 1 385.881 1.662 20 0 GDADMM CC1(C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2cnc(-c3nnn[n-]3)cn2)CCCC1 ZINC001575538227 949516717 /nfs/dbraw/zinc/51/67/17/949516717.db2.gz FFNDGWYKJBXJIM-KGLIPLIRSA-N -1 1 382.472 1.807 20 0 GDADMM CC1(C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2cnc(-c3nn[n-]n3)cn2)CCCC1 ZINC001575538227 949516736 /nfs/dbraw/zinc/51/67/36/949516736.db2.gz FFNDGWYKJBXJIM-KGLIPLIRSA-N -1 1 382.472 1.807 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CCCF ZINC001576159973 949520183 /nfs/dbraw/zinc/52/01/83/949520183.db2.gz YIZAPCHIKAQICW-YVEFUNNKSA-N -1 1 376.440 1.883 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CCCF ZINC001576159973 949520195 /nfs/dbraw/zinc/52/01/95/949520195.db2.gz YIZAPCHIKAQICW-YVEFUNNKSA-N -1 1 376.440 1.883 20 0 GDADMM C[C@H](NC(=O)CCC(F)F)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575268575 949521140 /nfs/dbraw/zinc/52/11/40/949521140.db2.gz NXDLBZKVRLPBTN-WDEREUQCSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H](NC(=O)CCC(F)F)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575268575 949521158 /nfs/dbraw/zinc/52/11/58/949521158.db2.gz NXDLBZKVRLPBTN-WDEREUQCSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](NC(=O)CCC(F)F)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575268573 949521774 /nfs/dbraw/zinc/52/17/74/949521774.db2.gz NXDLBZKVRLPBTN-MNOVXSKESA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](NC(=O)CCC(F)F)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575268573 949521788 /nfs/dbraw/zinc/52/17/88/949521788.db2.gz NXDLBZKVRLPBTN-MNOVXSKESA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H](NC(=O)CCC(F)F)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575268532 949524162 /nfs/dbraw/zinc/52/41/62/949524162.db2.gz NJDRULFBRBHFCJ-WDEREUQCSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H](NC(=O)CCC(F)F)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575268532 949524178 /nfs/dbraw/zinc/52/41/78/949524178.db2.gz NJDRULFBRBHFCJ-WDEREUQCSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](OCc1ccccc1)C(=O)NC[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574950144 949531015 /nfs/dbraw/zinc/53/10/15/949531015.db2.gz LRHIIFHVYXHYCO-QWHCGFSZSA-N -1 1 382.428 1.179 20 0 GDADMM C[C@@H](OCc1ccccc1)C(=O)NC[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574950144 949531036 /nfs/dbraw/zinc/53/10/36/949531036.db2.gz LRHIIFHVYXHYCO-QWHCGFSZSA-N -1 1 382.428 1.179 20 0 GDADMM C[C@@H]1CCCC[C@H]1OCC(=O)N(C)CCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001576163645 949539940 /nfs/dbraw/zinc/53/99/40/949539940.db2.gz CNJYQALRWSJYIM-UKRRQHHQSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@@H]1CCCC[C@H]1OCC(=O)N(C)CCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001576163645 949539956 /nfs/dbraw/zinc/53/99/56/949539956.db2.gz CNJYQALRWSJYIM-UKRRQHHQSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@H]1CCCN(C(=O)CC(C)(F)F)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576163839 949540167 /nfs/dbraw/zinc/54/01/67/949540167.db2.gz CWGAQFKFSOBJCF-JQWIXIFHSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H]1CCCN(C(=O)CC(C)(F)F)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576163839 949540174 /nfs/dbraw/zinc/54/01/74/949540174.db2.gz CWGAQFKFSOBJCF-JQWIXIFHSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H]1CCCC[C@@H]1OCC(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001576163983 949546429 /nfs/dbraw/zinc/54/64/29/949546429.db2.gz DVAWIDGAZGVMGN-XUXIUFHCSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@H]1CCCC[C@@H]1OCC(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001576163983 949546447 /nfs/dbraw/zinc/54/64/47/949546447.db2.gz DVAWIDGAZGVMGN-XUXIUFHCSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2(F)CCCC2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576164251 949550667 /nfs/dbraw/zinc/55/06/67/949550667.db2.gz FYQDXFOXNQIKDA-OCCSQVGLSA-N -1 1 388.451 1.978 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2(F)CCCC2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576164251 949550685 /nfs/dbraw/zinc/55/06/85/949550685.db2.gz FYQDXFOXNQIKDA-OCCSQVGLSA-N -1 1 388.451 1.978 20 0 GDADMM CC1(C(=O)N2CC[C@H]3[C@H](CCN3c3nccnc3-c3nnn[n-]3)C2)CCCC1 ZINC001575540092 949563694 /nfs/dbraw/zinc/56/36/94/949563694.db2.gz UUAKELHPQGYWGA-KGLIPLIRSA-N -1 1 382.472 1.664 20 0 GDADMM CC1(C(=O)N2CC[C@H]3[C@H](CCN3c3nccnc3-c3nn[n-]n3)C2)CCCC1 ZINC001575540092 949563714 /nfs/dbraw/zinc/56/37/14/949563714.db2.gz UUAKELHPQGYWGA-KGLIPLIRSA-N -1 1 382.472 1.664 20 0 GDADMM CC1(C(=O)N2CCC[C@](CO)(Nc3ccc(-c4nnn[n-]4)nn3)C2)CCCC1 ZINC001575540537 949566700 /nfs/dbraw/zinc/56/67/00/949566700.db2.gz XSACWAWWLAYERY-SFHVURJKSA-N -1 1 386.460 1.002 20 0 GDADMM CC1(C(=O)N2CCC[C@](CO)(Nc3ccc(-c4nn[n-]n4)nn3)C2)CCCC1 ZINC001575540537 949566718 /nfs/dbraw/zinc/56/67/18/949566718.db2.gz XSACWAWWLAYERY-SFHVURJKSA-N -1 1 386.460 1.002 20 0 GDADMM C[C@H]1CCCN(C(=O)C(=O)C(C)(C)C)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576165347 949569748 /nfs/dbraw/zinc/56/97/48/949569748.db2.gz JTCALMWSPGIEFN-AAEUAGOBSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@H]1CCCN(C(=O)C(=O)C(C)(C)C)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576165347 949569761 /nfs/dbraw/zinc/56/97/61/949569761.db2.gz JTCALMWSPGIEFN-AAEUAGOBSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@H]1CCCN(C(=O)CC(C)(C)O)[C@@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001576165880 949575777 /nfs/dbraw/zinc/57/57/77/949575777.db2.gz KJLZZEMLSZVPFH-QWHCGFSZSA-N -1 1 388.476 1.247 20 0 GDADMM C[C@H]1CCCN(C(=O)CC(C)(C)O)[C@@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001576165880 949575794 /nfs/dbraw/zinc/57/57/94/949575794.db2.gz KJLZZEMLSZVPFH-QWHCGFSZSA-N -1 1 388.476 1.247 20 0 GDADMM C[C@@H](NC(=O)CCCc1cccs1)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575270502 949592721 /nfs/dbraw/zinc/59/27/21/949592721.db2.gz CZPBZIMCTZSGNA-VXGBXAGGSA-N -1 1 386.485 1.468 20 0 GDADMM C[C@H](NC(=O)CCCc1ccccc1)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575270529 949595383 /nfs/dbraw/zinc/59/53/83/949595383.db2.gz DOGQQVGDFFMXCJ-KBPBESRZSA-N -1 1 380.456 1.407 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1COc2ccccc21)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574713843 949613869 /nfs/dbraw/zinc/61/38/69/949613869.db2.gz YJHGHWMYOVJUMV-DGCLKSJQSA-N -1 1 380.412 1.092 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1COc2ccccc21)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574713843 949613882 /nfs/dbraw/zinc/61/38/82/949613882.db2.gz YJHGHWMYOVJUMV-DGCLKSJQSA-N -1 1 380.412 1.092 20 0 GDADMM C[C@H](CC(=O)N(C)C[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1)c1ccncc1 ZINC001574714104 949621671 /nfs/dbraw/zinc/62/16/71/949621671.db2.gz CDNHROIJJXBYGS-OLZOCXBDSA-N -1 1 381.444 1.504 20 0 GDADMM C[C@H](CC(=O)N(C)C[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1)c1ccncc1 ZINC001574714104 949621685 /nfs/dbraw/zinc/62/16/85/949621685.db2.gz CDNHROIJJXBYGS-OLZOCXBDSA-N -1 1 381.444 1.504 20 0 GDADMM CC(C)CC(C)(C)C(=O)N1C[C@@H](C)[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574128683 949632537 /nfs/dbraw/zinc/63/25/37/949632537.db2.gz OQVHQIMKXWHVJH-KGLIPLIRSA-N -1 1 386.504 1.657 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccsc1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574958051 949645791 /nfs/dbraw/zinc/64/57/91/949645791.db2.gz DVFRTCQTXITMCE-KGYLQXTDSA-N -1 1 384.469 1.686 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccsc1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574958051 949645807 /nfs/dbraw/zinc/64/58/07/949645807.db2.gz DVFRTCQTXITMCE-KGYLQXTDSA-N -1 1 384.469 1.686 20 0 GDADMM C[C@H]1CCCN(C(=O)C2=COCCC2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576168916 949654141 /nfs/dbraw/zinc/65/41/41/949654141.db2.gz WPOLYYOEIHCXRD-SWLSCSKDSA-N -1 1 384.444 1.390 20 0 GDADMM C[C@H]1CCCN(C(=O)C2=COCCC2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576168916 949654151 /nfs/dbraw/zinc/65/41/51/949654151.db2.gz WPOLYYOEIHCXRD-SWLSCSKDSA-N -1 1 384.444 1.390 20 0 GDADMM C[C@@H](CN(C)C(=O)CCCC1CCOCC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574715493 949655896 /nfs/dbraw/zinc/65/58/96/949655896.db2.gz DEZPFXFBTINUFS-ZDUSSCGKSA-N -1 1 388.476 1.512 20 0 GDADMM C[C@@H](CN(C)C(=O)CCCC1CCOCC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574715493 949655907 /nfs/dbraw/zinc/65/59/07/949655907.db2.gz DEZPFXFBTINUFS-ZDUSSCGKSA-N -1 1 388.476 1.512 20 0 GDADMM C[C@H]1[C@H](NC(=O)CCc2ccco2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575877233 949657402 /nfs/dbraw/zinc/65/74/02/949657402.db2.gz LEGBYUPGXZECMU-GXTWGEPZSA-N -1 1 382.428 1.356 20 0 GDADMM C[C@H]1[C@H](NC(=O)CCc2ccco2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575877233 949657426 /nfs/dbraw/zinc/65/74/26/949657426.db2.gz LEGBYUPGXZECMU-GXTWGEPZSA-N -1 1 382.428 1.356 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@@H]1CCCCO1 ZINC001573815877 949662385 /nfs/dbraw/zinc/66/23/85/949662385.db2.gz LDQIUHRVNMQUKF-JSGCOSHPSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@@H]1CCCCO1 ZINC001573815877 949662402 /nfs/dbraw/zinc/66/24/02/949662402.db2.gz LDQIUHRVNMQUKF-JSGCOSHPSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H]1[C@H](NC(=O)CC(C)(C)C2CC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575877276 949663208 /nfs/dbraw/zinc/66/32/08/949663208.db2.gz ZGHARGQDGBVQAX-GXTWGEPZSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H]1[C@H](NC(=O)CC(C)(C)C2CC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575877276 949663221 /nfs/dbraw/zinc/66/32/21/949663221.db2.gz ZGHARGQDGBVQAX-GXTWGEPZSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H](CN(C)C(=O)CC[C@@H]1CC(C)(C)CO1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574715740 949663432 /nfs/dbraw/zinc/66/34/32/949663432.db2.gz GBJJHOKJJOIZGY-CHWSQXEVSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CN(C)C(=O)CC[C@@H]1CC(C)(C)CO1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574715740 949663447 /nfs/dbraw/zinc/66/34/47/949663447.db2.gz GBJJHOKJJOIZGY-CHWSQXEVSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CCn2cccc2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575877650 949667798 /nfs/dbraw/zinc/66/77/98/949667798.db2.gz MFRKXRVWZXYJAI-ZIAGYGMSSA-N -1 1 381.444 1.022 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CCn2cccc2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575877650 949667808 /nfs/dbraw/zinc/66/78/08/949667808.db2.gz MFRKXRVWZXYJAI-ZIAGYGMSSA-N -1 1 381.444 1.022 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H](C)NC(=O)CCCc1ccccn1 ZINC001575273621 949670549 /nfs/dbraw/zinc/67/05/49/949670549.db2.gz XOEPBKGQWQLTGF-QWHCGFSZSA-N -1 1 381.444 1.380 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H](C)NC(=O)CCCc1ccccn1 ZINC001575273621 949670565 /nfs/dbraw/zinc/67/05/65/949670565.db2.gz XOEPBKGQWQLTGF-QWHCGFSZSA-N -1 1 381.444 1.380 20 0 GDADMM C[C@H](NC(=O)CCCc1ccccn1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575273798 949672296 /nfs/dbraw/zinc/67/22/96/949672296.db2.gz YDHKPYRJXSPBEE-STQMWFEESA-N -1 1 381.444 1.380 20 0 GDADMM C[C@H](NC(=O)CCCc1ccccn1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575273798 949672306 /nfs/dbraw/zinc/67/23/06/949672306.db2.gz YDHKPYRJXSPBEE-STQMWFEESA-N -1 1 381.444 1.380 20 0 GDADMM C[C@@H]1CCCC[C@@H]1CC(=O)NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001576169339 949677407 /nfs/dbraw/zinc/67/74/07/949677407.db2.gz JGRXBXUHPBRNKB-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCCC[C@@H]1CC(=O)NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001576169339 949677424 /nfs/dbraw/zinc/67/74/24/949677424.db2.gz JGRXBXUHPBRNKB-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C1CCC(O)CC1 ZINC001573816413 949680347 /nfs/dbraw/zinc/68/03/47/949680347.db2.gz SLRHRYXNIMZVCZ-YIZWMMSDSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C1CCC(O)CC1 ZINC001573816413 949680362 /nfs/dbraw/zinc/68/03/62/949680362.db2.gz SLRHRYXNIMZVCZ-YIZWMMSDSA-N -1 1 388.476 1.151 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CCc2ccccc2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575879307 949685614 /nfs/dbraw/zinc/68/56/14/949685614.db2.gz QFGQMPNUHRHAIH-GDBMZVCRSA-N -1 1 392.467 1.763 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CCc2ccccc2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575879307 949685634 /nfs/dbraw/zinc/68/56/34/949685634.db2.gz QFGQMPNUHRHAIH-GDBMZVCRSA-N -1 1 392.467 1.763 20 0 GDADMM CC1(C(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nnn[n-]3)cn2)CCCCCC1 ZINC001575553593 949689139 /nfs/dbraw/zinc/68/91/39/949689139.db2.gz MTZYOGDJAIHWOU-KBPBESRZSA-N -1 1 382.472 1.807 20 0 GDADMM CC1(C(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nn[n-]n3)cn2)CCCCCC1 ZINC001575553593 949689154 /nfs/dbraw/zinc/68/91/54/949689154.db2.gz MTZYOGDJAIHWOU-KBPBESRZSA-N -1 1 382.472 1.807 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@]1(C)CCCOC1 ZINC001575557121 949708993 /nfs/dbraw/zinc/70/89/93/949708993.db2.gz ASZHHLCDIWVBOC-FZKQIMNGSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@]1(C)CCCOC1 ZINC001575557121 949709011 /nfs/dbraw/zinc/70/90/11/949709011.db2.gz ASZHHLCDIWVBOC-FZKQIMNGSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001574133491 949714520 /nfs/dbraw/zinc/71/45/20/949714520.db2.gz FGCUGECUJVKIRH-KFWWJZLASA-N -1 1 384.488 1.624 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001574133491 949714536 /nfs/dbraw/zinc/71/45/36/949714536.db2.gz FGCUGECUJVKIRH-KFWWJZLASA-N -1 1 384.488 1.624 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574959807 949717972 /nfs/dbraw/zinc/71/79/72/949717972.db2.gz UIRXJESXBXJPRD-FPMFFAJLSA-N -1 1 379.428 1.020 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574959807 949717985 /nfs/dbraw/zinc/71/79/85/949717985.db2.gz UIRXJESXBXJPRD-FPMFFAJLSA-N -1 1 379.428 1.020 20 0 GDADMM C[C@H](NC(=O)CCc1ccccc1F)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575276938 949736718 /nfs/dbraw/zinc/73/67/18/949736718.db2.gz MZGWFOMDLZVCHR-RYUDHWBXSA-N -1 1 384.419 1.734 20 0 GDADMM C[C@H](NC(=O)CCc1ccccc1F)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575276938 949736735 /nfs/dbraw/zinc/73/67/35/949736735.db2.gz MZGWFOMDLZVCHR-RYUDHWBXSA-N -1 1 384.419 1.734 20 0 GDADMM C[C@@H]1CCCC[C@@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001576171100 949754040 /nfs/dbraw/zinc/75/40/40/949754040.db2.gz OOTJHOVNVWPOLK-KBXIAJHMSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H]1CCCC[C@@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001576171100 949754051 /nfs/dbraw/zinc/75/40/51/949754051.db2.gz OOTJHOVNVWPOLK-KBXIAJHMSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001574481080 949762172 /nfs/dbraw/zinc/76/21/72/949762172.db2.gz MKNHRVFRJGGEMC-ZIAGYGMSSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001574481080 949762188 /nfs/dbraw/zinc/76/21/88/949762188.db2.gz MKNHRVFRJGGEMC-ZIAGYGMSSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001574481072 949764745 /nfs/dbraw/zinc/76/47/45/949764745.db2.gz MKNHRVFRJGGEMC-KBPBESRZSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001574481072 949764758 /nfs/dbraw/zinc/76/47/58/949764758.db2.gz MKNHRVFRJGGEMC-KBPBESRZSA-N -1 1 381.444 1.147 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ncccc1O ZINC001573822126 949782985 /nfs/dbraw/zinc/78/29/85/949782985.db2.gz FSKDJIPOCACZJW-LBPRGKRZSA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[nH]n2)n1)NC(=O)c1ncccc1[O-] ZINC001573822126 949783004 /nfs/dbraw/zinc/78/30/04/949783004.db2.gz FSKDJIPOCACZJW-LBPRGKRZSA-N -1 1 383.416 1.014 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H](CN(C)c2cnc(-c3nnn[n-]3)cn2)C1)C1CC1 ZINC001574481703 949798347 /nfs/dbraw/zinc/79/83/47/949798347.db2.gz UGFLUEWGYVQIFO-KGLIPLIRSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H](CN(C)c2cnc(-c3nn[n-]n3)cn2)C1)C1CC1 ZINC001574481703 949798362 /nfs/dbraw/zinc/79/83/62/949798362.db2.gz UGFLUEWGYVQIFO-KGLIPLIRSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cc(Cl)no1 ZINC001573822792 949800184 /nfs/dbraw/zinc/80/01/84/949800184.db2.gz MWAXYBYDXRXICX-SECBINFHSA-N -1 1 391.823 1.555 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)c1ccco1 ZINC001574481732 949800485 /nfs/dbraw/zinc/80/04/85/949800485.db2.gz UMXJFEMLNIMKHO-CHWSQXEVSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)c1ccco1 ZINC001574481732 949800507 /nfs/dbraw/zinc/80/05/07/949800507.db2.gz UMXJFEMLNIMKHO-CHWSQXEVSA-N -1 1 382.428 1.704 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cc(Cl)no1 ZINC001573822792 949800209 /nfs/dbraw/zinc/80/02/09/949800209.db2.gz MWAXYBYDXRXICX-SECBINFHSA-N -1 1 391.823 1.555 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001574138779 949800608 /nfs/dbraw/zinc/80/06/08/949800608.db2.gz GJTBQPPICRKRAL-ZIAGYGMSSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001574138779 949800633 /nfs/dbraw/zinc/80/06/33/949800633.db2.gz GJTBQPPICRKRAL-ZIAGYGMSSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ccncc1 ZINC001574481812 949803586 /nfs/dbraw/zinc/80/35/86/949803586.db2.gz VUVMRKBGBGVGAD-JSGCOSHPSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ccncc1 ZINC001574481812 949803608 /nfs/dbraw/zinc/80/36/08/949803608.db2.gz VUVMRKBGBGVGAD-JSGCOSHPSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC2CCC2)[C@@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576172582 949813114 /nfs/dbraw/zinc/81/31/14/949813114.db2.gz XONSGISQNPZHPK-UKRRQHHQSA-N -1 1 384.488 1.698 20 0 GDADMM CC1(C(=O)N[C@@H]2CC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CC(F)(F)C1 ZINC001575561916 949818264 /nfs/dbraw/zinc/81/82/64/949818264.db2.gz DKTBTXVKUNCKHY-WDEREUQCSA-N -1 1 392.414 1.789 20 0 GDADMM CC1(C(=O)N[C@@H]2CC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CC(F)(F)C1 ZINC001575561916 949818287 /nfs/dbraw/zinc/81/82/87/949818287.db2.gz DKTBTXVKUNCKHY-WDEREUQCSA-N -1 1 392.414 1.789 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ncccc1F ZINC001573823363 949829045 /nfs/dbraw/zinc/82/90/45/949829045.db2.gz VMDJGAUYUBTFKB-GFCCVEGCSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ncccc1F ZINC001573823363 949829059 /nfs/dbraw/zinc/82/90/59/949829059.db2.gz VMDJGAUYUBTFKB-GFCCVEGCSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C(C)(C)C(F)F ZINC001573823495 949833394 /nfs/dbraw/zinc/83/33/94/949833394.db2.gz XSWOEMYXWPSZTL-SECBINFHSA-N -1 1 382.419 1.891 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C(C)(C)C(F)F ZINC001573823495 949833413 /nfs/dbraw/zinc/83/34/13/949833413.db2.gz XSWOEMYXWPSZTL-SECBINFHSA-N -1 1 382.419 1.891 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cc[nH]c(=O)c1 ZINC001573823871 949839272 /nfs/dbraw/zinc/83/92/72/949839272.db2.gz ZYIHAJYVIQVUCK-GFCCVEGCSA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cc[nH]c(=O)c1 ZINC001573823871 949839295 /nfs/dbraw/zinc/83/92/95/949839295.db2.gz ZYIHAJYVIQVUCK-GFCCVEGCSA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)(C)C1CC(C(=O)NC[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573823916 949845300 /nfs/dbraw/zinc/84/53/00/949845300.db2.gz BPFRCVWCSALVJE-HSBZDZAISA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)(C)C1CC(C(=O)NC[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573823916 949845319 /nfs/dbraw/zinc/84/53/19/949845319.db2.gz BPFRCVWCSALVJE-HSBZDZAISA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)(C)C12CC(C(=O)N[C@H]3C[C@H](Nc4cncc(-c5nnn[n-]5)n4)C3)(C1)C2 ZINC001573823967 949847939 /nfs/dbraw/zinc/84/79/39/949847939.db2.gz BZWPIWLTYHNWAM-YHOLATLBSA-N -1 1 382.472 1.932 20 0 GDADMM CC(C)(C)C12CC(C(=O)N[C@H]3C[C@H](Nc4cncc(-c5nn[n-]n5)n4)C3)(C1)C2 ZINC001573823967 949847963 /nfs/dbraw/zinc/84/79/63/949847963.db2.gz BZWPIWLTYHNWAM-YHOLATLBSA-N -1 1 382.472 1.932 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1)c1ccco1 ZINC001574483981 949856245 /nfs/dbraw/zinc/85/62/45/949856245.db2.gz BJQLVGGDIFVQFH-CHWSQXEVSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1)c1ccco1 ZINC001574483981 949856266 /nfs/dbraw/zinc/85/62/66/949856266.db2.gz BJQLVGGDIFVQFH-CHWSQXEVSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@@H](NC(=O)COCC1CC1)[C@@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575283136 949861078 /nfs/dbraw/zinc/86/10/78/949861078.db2.gz NQBAZUCKIATPRM-HTQZYQBOSA-N -1 1 385.881 1.708 20 0 GDADMM C[C@@H](NC(=O)COCC1CC1)[C@@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575283136 949861099 /nfs/dbraw/zinc/86/10/99/949861099.db2.gz NQBAZUCKIATPRM-HTQZYQBOSA-N -1 1 385.881 1.708 20 0 GDADMM CC(C)C[C@H](C)CC(=O)NC[C@@H]1COCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001574142401 949872860 /nfs/dbraw/zinc/87/28/60/949872860.db2.gz YOQVHWQDXJQGMK-UONOGXRCSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)C[C@H](C)CC(=O)NC[C@@H]1COCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001574142401 949872884 /nfs/dbraw/zinc/87/28/84/949872884.db2.gz YOQVHWQDXJQGMK-UONOGXRCSA-N -1 1 388.476 1.050 20 0 GDADMM CC1(C(=O)N[C@@H]2CCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)CC(F)(F)C1 ZINC001575565717 949887710 /nfs/dbraw/zinc/88/77/10/949887710.db2.gz XQFPBPQIGIXFFG-WDEREUQCSA-N -1 1 392.414 1.789 20 0 GDADMM CC1(C(=O)N[C@@H]2CCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)CC(F)(F)C1 ZINC001575565717 949887734 /nfs/dbraw/zinc/88/77/34/949887734.db2.gz XQFPBPQIGIXFFG-WDEREUQCSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1)c1ccco1 ZINC001574484684 949890801 /nfs/dbraw/zinc/89/08/01/949890801.db2.gz LZJGXYRXCVTHJJ-OLZOCXBDSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1)c1ccco1 ZINC001574484684 949890809 /nfs/dbraw/zinc/89/08/09/949890809.db2.gz LZJGXYRXCVTHJJ-OLZOCXBDSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574484646 949892845 /nfs/dbraw/zinc/89/28/45/949892845.db2.gz LFHOKGUOOAPSEY-UWVGGRQHSA-N -1 1 384.366 1.070 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)CC(C)(C)C ZINC001574484870 949911654 /nfs/dbraw/zinc/91/16/54/949911654.db2.gz QILZYEKCMJUDRX-ZIAGYGMSSA-N -1 1 386.504 1.944 20 0 GDADMM C[C@@H]1CCN(C(=O)C(C)(C)C2CC2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576179883 949926918 /nfs/dbraw/zinc/92/69/18/949926918.db2.gz MNPFEFUMYQFTFW-OLZOCXBDSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H]1CCN(C(=O)C(C)(C)C2CC2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576179883 949926936 /nfs/dbraw/zinc/92/69/36/949926936.db2.gz MNPFEFUMYQFTFW-OLZOCXBDSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001574485714 949931423 /nfs/dbraw/zinc/93/14/23/949931423.db2.gz ZOIFXLYSXBKSOU-UWVGGRQHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001574485714 949931436 /nfs/dbraw/zinc/93/14/36/949931436.db2.gz ZOIFXLYSXBKSOU-UWVGGRQHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](NC(=O)COc1ccc(F)cc1)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575285092 949932705 /nfs/dbraw/zinc/93/27/05/949932705.db2.gz YGUWUAITYKTPFN-GHMZBOCLSA-N -1 1 386.391 1.180 20 0 GDADMM C[C@@H](NC(=O)COc1ccc(F)cc1)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575285092 949932717 /nfs/dbraw/zinc/93/27/17/949932717.db2.gz YGUWUAITYKTPFN-GHMZBOCLSA-N -1 1 386.391 1.180 20 0 GDADMM CC(C)(C)/C=C\C(=O)N[C@]12CCC[C@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001573828739 949940967 /nfs/dbraw/zinc/94/09/67/949940967.db2.gz TUZRDUKYLJBSBC-ZAUARSBASA-N -1 1 382.472 1.877 20 0 GDADMM C[C@H](CC(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1ccco1 ZINC001574489981 949973215 /nfs/dbraw/zinc/97/32/15/949973215.db2.gz MIIXUWAWCYZVNN-DGCLKSJQSA-N -1 1 382.428 1.172 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccc[nH]2)[C@@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576181614 950012177 /nfs/dbraw/zinc/01/21/77/950012177.db2.gz MEKRPYYXRODJPO-IUODEOHRSA-N -1 1 381.444 1.728 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccc[nH]2)[C@@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576181614 950012204 /nfs/dbraw/zinc/01/22/04/950012204.db2.gz MEKRPYYXRODJPO-IUODEOHRSA-N -1 1 381.444 1.728 20 0 GDADMM C[C@@H](CC(=O)NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)n1cccc1 ZINC001574491586 950041478 /nfs/dbraw/zinc/04/14/78/950041478.db2.gz DTGSHQMPNMHQNL-ZDUSSCGKSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](CC(=O)NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)n1cccc1 ZINC001574491586 950041502 /nfs/dbraw/zinc/04/15/02/950041502.db2.gz DTGSHQMPNMHQNL-ZDUSSCGKSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H]1CCCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC001576182403 950050813 /nfs/dbraw/zinc/05/08/13/950050813.db2.gz ZMSPMFBXMGHOJO-QWHCGFSZSA-N -1 1 384.444 1.840 20 0 GDADMM C[C@H]1CCCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC001576182403 950050836 /nfs/dbraw/zinc/05/08/36/950050836.db2.gz ZMSPMFBXMGHOJO-QWHCGFSZSA-N -1 1 384.444 1.840 20 0 GDADMM C[C@@H](CC(=O)N[C@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001574492482 950090427 /nfs/dbraw/zinc/09/04/27/950090427.db2.gz NHRLBWKONXATII-LKFCYVNXSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](CC(=O)N[C@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001574492482 950090446 /nfs/dbraw/zinc/09/04/46/950090446.db2.gz NHRLBWKONXATII-LKFCYVNXSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](CN(C)C(=O)Cn1ccnc1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574733145 950097709 /nfs/dbraw/zinc/09/77/09/950097709.db2.gz TVSUOPNHMTVCML-QMMMGPOBSA-N -1 1 381.853 1.132 20 0 GDADMM C[C@@H](CN(C)C(=O)Nc1ccnc(-c2nnn[n-]2)c1)NC(=O)OC(C)(C)C ZINC001574733278 950104605 /nfs/dbraw/zinc/10/46/05/950104605.db2.gz XNLJYAYBGPVLEZ-JTQLQIEISA-N -1 1 376.421 1.639 20 0 GDADMM C[C@@H](CN(C)C(=O)Nc1ccnc(-c2nn[n-]n2)c1)NC(=O)OC(C)(C)C ZINC001574733278 950104615 /nfs/dbraw/zinc/10/46/15/950104615.db2.gz XNLJYAYBGPVLEZ-JTQLQIEISA-N -1 1 376.421 1.639 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccncc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574733435 950108821 /nfs/dbraw/zinc/10/88/21/950108821.db2.gz BCARHWMUSAGXMV-FPMFFAJLSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccncc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574733435 950108839 /nfs/dbraw/zinc/10/88/39/950108839.db2.gz BCARHWMUSAGXMV-FPMFFAJLSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@H]1CCN(C(=O)C2CC(F)(F)C2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576184102 950119222 /nfs/dbraw/zinc/11/92/22/950119222.db2.gz TYGJRLNTUAVRIZ-CMPLNLGQSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H]1CCN(C(=O)C2CC(F)(F)C2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576184102 950119233 /nfs/dbraw/zinc/11/92/33/950119233.db2.gz TYGJRLNTUAVRIZ-CMPLNLGQSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001574493296 950123405 /nfs/dbraw/zinc/12/34/05/950123405.db2.gz RZQCQWIQLXTQPP-KGLIPLIRSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001574493296 950123422 /nfs/dbraw/zinc/12/34/22/950123422.db2.gz RZQCQWIQLXTQPP-KGLIPLIRSA-N -1 1 381.444 1.195 20 0 GDADMM CC(C)(C)CC(C)(C)C(=O)N(CCO)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001573839316 950131549 /nfs/dbraw/zinc/13/15/49/950131549.db2.gz QEIFZKCIVONOPG-UHFFFAOYSA-N -1 1 390.492 1.352 20 0 GDADMM CC(C)(C)CC(C)(C)C(=O)N(CCO)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001573839316 950131557 /nfs/dbraw/zinc/13/15/57/950131557.db2.gz QEIFZKCIVONOPG-UHFFFAOYSA-N -1 1 390.492 1.352 20 0 GDADMM CC1(C(=O)NCC2(Nc3cncc(-c4nnn[n-]4)n3)CCC2)CC(F)(F)C1 ZINC001575583014 950138831 /nfs/dbraw/zinc/13/88/31/950138831.db2.gz NUTXITMALBRXOJ-UHFFFAOYSA-N -1 1 378.387 1.543 20 0 GDADMM CC1(C(=O)NCC2(Nc3cncc(-c4nn[n-]n4)n3)CCC2)CC(F)(F)C1 ZINC001575583014 950138853 /nfs/dbraw/zinc/13/88/53/950138853.db2.gz NUTXITMALBRXOJ-UHFFFAOYSA-N -1 1 378.387 1.543 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccco1 ZINC001574494455 950164139 /nfs/dbraw/zinc/16/41/39/950164139.db2.gz ZBDVMHQPEZSULS-QWHCGFSZSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccco1 ZINC001574494455 950164152 /nfs/dbraw/zinc/16/41/52/950164152.db2.gz ZBDVMHQPEZSULS-QWHCGFSZSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccsn2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576190540 950164162 /nfs/dbraw/zinc/16/41/62/950164162.db2.gz AKTJMXIUOFGDEJ-WDEREUQCSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccsn2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576190540 950164172 /nfs/dbraw/zinc/16/41/72/950164172.db2.gz AKTJMXIUOFGDEJ-WDEREUQCSA-N -1 1 385.457 1.324 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cc[nH]c(=O)c1 ZINC001574154383 950169013 /nfs/dbraw/zinc/16/90/13/950169013.db2.gz DSBINXCXMNNHBV-LBPRGKRZSA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cc[nH]c(=O)c1 ZINC001574154383 950169028 /nfs/dbraw/zinc/16/90/28/950169028.db2.gz DSBINXCXMNNHBV-LBPRGKRZSA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1Cc2ccccc21 ZINC001574154757 950178859 /nfs/dbraw/zinc/17/88/59/950178859.db2.gz HDZIZZDOUQCPEI-GDBMZVCRSA-N -1 1 392.467 1.361 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccccc2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576191010 950180809 /nfs/dbraw/zinc/18/08/09/950180809.db2.gz FVISFTJUZUAELH-HIFRSBDPSA-N -1 1 378.440 1.289 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C1(F)CCCC1 ZINC001574155180 950183083 /nfs/dbraw/zinc/18/30/83/950183083.db2.gz JNQLPOCIXFXKSN-GFCCVEGCSA-N -1 1 376.440 1.882 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C1(F)CCCC1 ZINC001574155180 950183095 /nfs/dbraw/zinc/18/30/95/950183095.db2.gz JNQLPOCIXFXKSN-GFCCVEGCSA-N -1 1 376.440 1.882 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001574155040 950183297 /nfs/dbraw/zinc/18/32/97/950183297.db2.gz IJXXNPYBAWHDSR-BHPKHCPMSA-N -1 1 386.460 1.167 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001574155040 950183314 /nfs/dbraw/zinc/18/33/14/950183314.db2.gz IJXXNPYBAWHDSR-BHPKHCPMSA-N -1 1 386.460 1.167 20 0 GDADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1(C(F)F)CC1 ZINC001574155043 950184277 /nfs/dbraw/zinc/18/42/77/950184277.db2.gz IPDAFJDWJQDTCM-SNVBAGLBSA-N -1 1 380.403 1.067 20 0 GDADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C(C1CC1)C1CC1 ZINC001574155186 950187361 /nfs/dbraw/zinc/18/73/61/950187361.db2.gz JPKIVDRWCLDHII-AWEZNQCLSA-N -1 1 384.488 1.458 20 0 GDADMM CC1(C(=O)NC[C@@H]2CCCCN2c2cnc(-c3nnn[n-]3)cn2)CC(F)(F)C1 ZINC001575585298 950190578 /nfs/dbraw/zinc/19/05/78/950190578.db2.gz YFEORLZKUVEDJF-NSHDSACASA-N -1 1 392.414 1.567 20 0 GDADMM CC1(C(=O)NC[C@@H]2CCCCN2c2cnc(-c3nn[n-]n3)cn2)CC(F)(F)C1 ZINC001575585298 950190590 /nfs/dbraw/zinc/19/05/90/950190590.db2.gz YFEORLZKUVEDJF-NSHDSACASA-N -1 1 392.414 1.567 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1)n1cccc1 ZINC001574497075 950229424 /nfs/dbraw/zinc/22/94/24/950229424.db2.gz YTFVXUNHPYHQQX-JSGCOSHPSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1)n1cccc1 ZINC001574497075 950229445 /nfs/dbraw/zinc/22/94/45/950229445.db2.gz YTFVXUNHPYHQQX-JSGCOSHPSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1)CC(C)(C)C ZINC001574497662 950230620 /nfs/dbraw/zinc/23/06/20/950230620.db2.gz ASRXRZOZEJBCMB-NWDGAFQWSA-N -1 1 376.465 1.008 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1)CC(C)(C)C ZINC001574497662 950230634 /nfs/dbraw/zinc/23/06/34/950230634.db2.gz ASRXRZOZEJBCMB-NWDGAFQWSA-N -1 1 376.465 1.008 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001573845617 950236332 /nfs/dbraw/zinc/23/63/32/950236332.db2.gz JJAHZCMBQYUKES-MELADBBJSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001573845617 950236363 /nfs/dbraw/zinc/23/63/63/950236363.db2.gz JJAHZCMBQYUKES-MELADBBJSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H](CC(=O)NC[C@]1(C)CCCN(c2nccnc2-c2nnn[n-]2)C1)C1CC1 ZINC001574497842 950246078 /nfs/dbraw/zinc/24/60/78/950246078.db2.gz DZUWTRKIGVEBIM-DJJJIMSYSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](CC(=O)NC[C@]1(C)CCCN(c2nccnc2-c2nn[n-]n2)C1)C1CC1 ZINC001574497842 950246098 /nfs/dbraw/zinc/24/60/98/950246098.db2.gz DZUWTRKIGVEBIM-DJJJIMSYSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C1(C)CCOCC1 ZINC001574157783 950253808 /nfs/dbraw/zinc/25/38/08/950253808.db2.gz IPQIIVUZDOOAGG-CYBMUJFWSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C1(C)CCOCC1 ZINC001574157783 950253826 /nfs/dbraw/zinc/25/38/26/950253826.db2.gz IPQIIVUZDOOAGG-CYBMUJFWSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@H](CN(C)C(=O)c1c(F)cc(F)cc1F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574741672 950254083 /nfs/dbraw/zinc/25/40/83/950254083.db2.gz KNPGCHDHJPLBJR-MRVPVSSYSA-N -1 1 392.345 1.647 20 0 GDADMM C[C@H](CN(C)C(=O)c1c(F)cc(F)cc1F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574741672 950254093 /nfs/dbraw/zinc/25/40/93/950254093.db2.gz KNPGCHDHJPLBJR-MRVPVSSYSA-N -1 1 392.345 1.647 20 0 GDADMM CC(C)(C)NC(=O)N1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001573850863 950278874 /nfs/dbraw/zinc/27/88/74/950278874.db2.gz MXSLODQTOYGODU-UHFFFAOYSA-N -1 1 392.489 1.264 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001573852111 950301872 /nfs/dbraw/zinc/30/18/72/950301872.db2.gz DHIRTNWFNILLDC-LBPRGKRZSA-N -1 1 388.432 1.783 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001573852111 950301894 /nfs/dbraw/zinc/30/18/94/950301894.db2.gz DHIRTNWFNILLDC-LBPRGKRZSA-N -1 1 388.432 1.783 20 0 GDADMM CC1(C(=O)NCC[C@@H](Cc2ccccc2)Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001575593028 950303279 /nfs/dbraw/zinc/30/32/79/950303279.db2.gz FCXKMQSBTQEKIB-HNNXBMFYSA-N -1 1 392.467 1.986 20 0 GDADMM CC1(C(=O)NCC[C@@H](Cc2ccccc2)Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001575593028 950303298 /nfs/dbraw/zinc/30/32/98/950303298.db2.gz FCXKMQSBTQEKIB-HNNXBMFYSA-N -1 1 392.467 1.986 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001574501278 950323109 /nfs/dbraw/zinc/32/31/09/950323109.db2.gz CKQSECHUXCSXSO-ZJUUUORDSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cc1cccnc1 ZINC001574159796 950324344 /nfs/dbraw/zinc/32/43/44/950324344.db2.gz JEHLFGQIEPEHKA-CQSZACIVSA-N -1 1 381.444 1.237 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cc1cccnc1 ZINC001574159796 950324366 /nfs/dbraw/zinc/32/43/66/950324366.db2.gz JEHLFGQIEPEHKA-CQSZACIVSA-N -1 1 381.444 1.237 20 0 GDADMM CC1(C(=O)NC[C@@H]2COCCN2c2nc(Cl)c(-c3nnn[n-]3)s2)CC1 ZINC001575594963 950340660 /nfs/dbraw/zinc/34/06/60/950340660.db2.gz MLAQHXAYVHEWCE-MRVPVSSYSA-N -1 1 383.865 1.098 20 0 GDADMM CC1(C(=O)NC[C@@H]2COCCN2c2nc(Cl)c(-c3nn[n-]n3)s2)CC1 ZINC001575594963 950340681 /nfs/dbraw/zinc/34/06/81/950340681.db2.gz MLAQHXAYVHEWCE-MRVPVSSYSA-N -1 1 383.865 1.098 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccc(Cl)[nH]1 ZINC001574161469 950357111 /nfs/dbraw/zinc/35/71/11/950357111.db2.gz UYKGIFGNLGQBET-SNVBAGLBSA-N -1 1 389.851 1.895 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccc(Cl)[nH]1 ZINC001574161469 950357131 /nfs/dbraw/zinc/35/71/31/950357131.db2.gz UYKGIFGNLGQBET-SNVBAGLBSA-N -1 1 389.851 1.895 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001573855207 950364182 /nfs/dbraw/zinc/36/41/82/950364182.db2.gz LQWFAPLWFNAHIV-IPNGBCKKSA-N -1 1 382.472 1.280 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001573855207 950364202 /nfs/dbraw/zinc/36/42/02/950364202.db2.gz LQWFAPLWFNAHIV-IPNGBCKKSA-N -1 1 382.472 1.280 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1)c1ccccc1 ZINC001574502439 950380727 /nfs/dbraw/zinc/38/07/27/950380727.db2.gz NPPAUNRVMUKJIT-GDBMZVCRSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1)c1ccccc1 ZINC001574502439 950380746 /nfs/dbraw/zinc/38/07/46/950380746.db2.gz NPPAUNRVMUKJIT-GDBMZVCRSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1)C(F)(F)F ZINC001574502655 950387518 /nfs/dbraw/zinc/38/75/18/950387518.db2.gz PDCUVDMRGGGZTR-NXEZZACHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1)C(F)(F)F ZINC001574502655 950387535 /nfs/dbraw/zinc/38/75/35/950387535.db2.gz PDCUVDMRGGGZTR-NXEZZACHSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)CC1(C(=O)N(C)C[C@H](O)CNc2cncc(-c3nnn[n-]3)n2)CCC1 ZINC001574162582 950388747 /nfs/dbraw/zinc/38/87/47/950388747.db2.gz DORZXUDSIWGWTB-CYBMUJFWSA-N -1 1 388.476 1.104 20 0 GDADMM CC(C)CC1(C(=O)N(C)C[C@H](O)CNc2cncc(-c3nn[n-]n3)n2)CCC1 ZINC001574162582 950388767 /nfs/dbraw/zinc/38/87/67/950388767.db2.gz DORZXUDSIWGWTB-CYBMUJFWSA-N -1 1 388.476 1.104 20 0 GDADMM CC1(C(=O)NCC[C@@H](Cc2ccccc2)Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575596902 950388588 /nfs/dbraw/zinc/38/85/88/950388588.db2.gz WARGJYGUGKJCBJ-HNNXBMFYSA-N -1 1 392.467 1.986 20 0 GDADMM CC1(C(=O)NCC[C@@H](Cc2ccccc2)Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575596902 950388608 /nfs/dbraw/zinc/38/86/08/950388608.db2.gz WARGJYGUGKJCBJ-HNNXBMFYSA-N -1 1 392.467 1.986 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@@]2(CNc3ccnc(-c4nn[n-]n4)n3)CCC[C@@H]12 ZINC001573856586 950388998 /nfs/dbraw/zinc/38/89/98/950388998.db2.gz FAFYMPXMUDQGEU-KZULUSFZSA-N -1 1 386.460 1.670 20 0 GDADMM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCCCN2CCN(c3ccccc3)CC2)C1 ZINC000263353134 950394937 /nfs/dbraw/zinc/39/49/37/950394937.db2.gz QFXOFWYKYHDVAF-ZWKOTPCHSA-N -1 1 388.512 1.951 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C1(CF)CCC1 ZINC001574162772 950399563 /nfs/dbraw/zinc/39/95/63/950399563.db2.gz ITNHQCINYNYZFY-LBPRGKRZSA-N -1 1 376.440 1.739 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C1(CF)CCC1 ZINC001574162772 950399586 /nfs/dbraw/zinc/39/95/86/950399586.db2.gz ITNHQCINYNYZFY-LBPRGKRZSA-N -1 1 376.440 1.739 20 0 GDADMM CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001573857515 950409468 /nfs/dbraw/zinc/40/94/68/950409468.db2.gz TZGHWVYMSWNUTI-SECBINFHSA-N -1 1 394.461 1.271 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc(C(C)(C)C)n[nH]1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574747606 950410220 /nfs/dbraw/zinc/41/02/20/950410220.db2.gz UJSBSNUFAQKTPY-JTQLQIEISA-N -1 1 384.448 1.250 20 0 GDADMM CC(C)(C)OC(=O)N1CCO[C@@](C)(CNC(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001573857712 950414496 /nfs/dbraw/zinc/41/44/96/950414496.db2.gz XQHXWMMBQFPMNX-KRWDZBQOSA-N -1 1 392.416 1.216 20 0 GDADMM CC(C)(C)OC(=O)N1CCO[C@@](C)(CNC(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001573857712 950414504 /nfs/dbraw/zinc/41/45/04/950414504.db2.gz XQHXWMMBQFPMNX-KRWDZBQOSA-N -1 1 392.416 1.216 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1csc(=O)[nH]1 ZINC001574163322 950422848 /nfs/dbraw/zinc/42/28/48/950422848.db2.gz RTZHJGVZKPVJTG-VIFPVBQESA-N -1 1 389.445 1.075 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1csc(=O)[nH]1 ZINC001574163322 950422857 /nfs/dbraw/zinc/42/28/57/950422857.db2.gz RTZHJGVZKPVJTG-VIFPVBQESA-N -1 1 389.445 1.075 20 0 GDADMM CC(C)(C)OC(=O)NCc1cccc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)c1 ZINC001573860682 950431297 /nfs/dbraw/zinc/43/12/97/950431297.db2.gz MBLIXXZGVOXADH-UHFFFAOYSA-N -1 1 384.400 1.867 20 0 GDADMM CC(C)(C)OC(=O)NCc1cccc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)c1 ZINC001573860682 950431316 /nfs/dbraw/zinc/43/13/16/950431316.db2.gz MBLIXXZGVOXADH-UHFFFAOYSA-N -1 1 384.400 1.867 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001574506493 950435303 /nfs/dbraw/zinc/43/53/03/950435303.db2.gz FMCOPDFWWZHJQC-AVGNSLFASA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001574506493 950435314 /nfs/dbraw/zinc/43/53/14/950435314.db2.gz FMCOPDFWWZHJQC-AVGNSLFASA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@]1(C(=O)N[C@@H]2CCN(c3nc(Cl)c(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575600109 950435535 /nfs/dbraw/zinc/43/55/35/950435535.db2.gz RCLQXABFBJYQEW-XLKFXECMSA-N -1 1 383.865 1.098 20 0 GDADMM C[C@@]1(C(=O)N[C@@H]2CCN(c3nc(Cl)c(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575600109 950435550 /nfs/dbraw/zinc/43/55/50/950435550.db2.gz RCLQXABFBJYQEW-XLKFXECMSA-N -1 1 383.865 1.098 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001573861059 950435595 /nfs/dbraw/zinc/43/55/95/950435595.db2.gz QTGLANTWPOOAJU-GFCCVEGCSA-N -1 1 388.432 1.783 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001573861059 950435610 /nfs/dbraw/zinc/43/56/10/950435610.db2.gz QTGLANTWPOOAJU-GFCCVEGCSA-N -1 1 388.432 1.783 20 0 GDADMM C[C@@]1(C(=O)N[C@@H]2CCCC[C@H]2Nc2cncc(-c3nnn[n-]3)n2)CCCOC1 ZINC001575599709 950436533 /nfs/dbraw/zinc/43/65/33/950436533.db2.gz OPHNMBJCOAEMFS-SNUQEOBHSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@]1(C(=O)N[C@@H]2CCCC[C@H]2Nc2cncc(-c3nn[n-]n3)n2)CCCOC1 ZINC001575599709 950436544 /nfs/dbraw/zinc/43/65/44/950436544.db2.gz OPHNMBJCOAEMFS-SNUQEOBHSA-N -1 1 386.460 1.313 20 0 GDADMM CCN(CC)[C@H](CNS(=O)(=O)N1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC001589723223 950440596 /nfs/dbraw/zinc/44/05/96/950440596.db2.gz WUHIETVZAFXFBX-QGZVFWFLSA-N -1 1 383.514 1.701 20 0 GDADMM CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)c2coc(-c3nnn[n-]3)c2)C1(C)C ZINC001573861111 950441931 /nfs/dbraw/zinc/44/19/31/950441931.db2.gz UGIVHRZNNBYEPM-NEPJUHHUSA-N -1 1 376.417 1.881 20 0 GDADMM CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)c2coc(-c3nn[n-]n3)c2)C1(C)C ZINC001573861111 950441944 /nfs/dbraw/zinc/44/19/44/950441944.db2.gz UGIVHRZNNBYEPM-NEPJUHHUSA-N -1 1 376.417 1.881 20 0 GDADMM CCN(CC)CCN(C(=O)c1coc(/C=C\C(=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC001589724918 950449556 /nfs/dbraw/zinc/44/95/56/950449556.db2.gz PWKXNOHXTJEUEP-YVACAVLKSA-N -1 1 398.481 1.349 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc2c(o1)CCCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574751812 950464659 /nfs/dbraw/zinc/46/46/59/950464659.db2.gz RHGRXARKDMLNIG-NSHDSACASA-N -1 1 382.428 1.701 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc2c(o1)CCCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574751812 950464676 /nfs/dbraw/zinc/46/46/76/950464676.db2.gz RHGRXARKDMLNIG-NSHDSACASA-N -1 1 382.428 1.701 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC001573862565 950472920 /nfs/dbraw/zinc/47/29/20/950472920.db2.gz XPEZRVFWVXCOLO-GXSJLCMTSA-N -1 1 390.448 1.670 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC001573862565 950472928 /nfs/dbraw/zinc/47/29/28/950472928.db2.gz XPEZRVFWVXCOLO-GXSJLCMTSA-N -1 1 390.448 1.670 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc2n(c1)CCCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574752682 950494072 /nfs/dbraw/zinc/49/40/72/950494072.db2.gz ZFFYUEGZTPQWJQ-GFCCVEGCSA-N -1 1 381.444 1.367 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc2n(c1)CCCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574752682 950494082 /nfs/dbraw/zinc/49/40/82/950494082.db2.gz ZFFYUEGZTPQWJQ-GFCCVEGCSA-N -1 1 381.444 1.367 20 0 GDADMM CC1(C(=O)N[C@H]2C[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)CCCCCC1 ZINC001575606716 950498990 /nfs/dbraw/zinc/49/89/90/950498990.db2.gz DPBTVMQVJAITHW-HDJSIYSDSA-N -1 1 384.488 1.746 20 0 GDADMM CC1(C(=O)N[C@H]2C[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)CC(F)(F)C1 ZINC001575607572 950505941 /nfs/dbraw/zinc/50/59/41/950505941.db2.gz JXHCNOJCXOJKPH-MGCOHNPYSA-N -1 1 378.387 1.399 20 0 GDADMM CC1(C(=O)N[C@H]2C[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)CC(F)(F)C1 ZINC001575607572 950505957 /nfs/dbraw/zinc/50/59/57/950505957.db2.gz JXHCNOJCXOJKPH-MGCOHNPYSA-N -1 1 378.387 1.399 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001575915110 950506477 /nfs/dbraw/zinc/50/64/77/950506477.db2.gz LVYCBGFLXZVUFY-QXFSXQSWSA-N -1 1 380.456 1.350 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001575915110 950506491 /nfs/dbraw/zinc/50/64/91/950506491.db2.gz LVYCBGFLXZVUFY-QXFSXQSWSA-N -1 1 380.456 1.350 20 0 GDADMM C[C@H](CNC(=O)c1cc(C(C)(C)C)on1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574996049 950519819 /nfs/dbraw/zinc/51/98/19/950519819.db2.gz KEFZPPBWJSGUJP-JTQLQIEISA-N -1 1 385.432 1.420 20 0 GDADMM C[C@H](CNC(=O)c1cc(C(C)(C)C)on1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574996049 950519835 /nfs/dbraw/zinc/51/98/35/950519835.db2.gz KEFZPPBWJSGUJP-JTQLQIEISA-N -1 1 385.432 1.420 20 0 GDADMM C[C@]1(C(=O)N[C@H]2C[C@@H](Nc3nc(Cl)c(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575609172 950520988 /nfs/dbraw/zinc/52/09/88/950520988.db2.gz UMWVMTGOAQIIKX-GIHMMQTOSA-N -1 1 383.865 1.462 20 0 GDADMM C[C@]1(C(=O)N[C@H]2C[C@@H](Nc3nc(Cl)c(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575609172 950521005 /nfs/dbraw/zinc/52/10/05/950521005.db2.gz UMWVMTGOAQIIKX-GIHMMQTOSA-N -1 1 383.865 1.462 20 0 GDADMM CC(C)(C)OCC(=O)N1CCCCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573867146 950522998 /nfs/dbraw/zinc/52/29/98/950522998.db2.gz QORPOHVGSMDRJT-ZDUSSCGKSA-N -1 1 388.476 1.655 20 0 GDADMM CC(C)(C)OCC(=O)N1CCCCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573867146 950523013 /nfs/dbraw/zinc/52/30/13/950523013.db2.gz QORPOHVGSMDRJT-ZDUSSCGKSA-N -1 1 388.476 1.655 20 0 GDADMM CC(C)CCC(=O)N1CCC2(C1)CCN(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001574170540 950539981 /nfs/dbraw/zinc/53/99/81/950539981.db2.gz JFUODRXSVRBFMC-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)CCC(=O)N1CCC2(C1)CCN(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001574170540 950539996 /nfs/dbraw/zinc/53/99/96/950539996.db2.gz JFUODRXSVRBFMC-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@H](CC(=O)N[C@@H](C)CNc1nccnc1-c1nnn[n-]1)c1ccccc1F ZINC001574510790 950547329 /nfs/dbraw/zinc/54/73/29/950547329.db2.gz ANLSROXITVKSQD-NEPJUHHUSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H](CC(=O)N[C@@H](C)CNc1nccnc1-c1nn[n-]n1)c1ccccc1F ZINC001574510790 950547343 /nfs/dbraw/zinc/54/73/43/950547343.db2.gz ANLSROXITVKSQD-NEPJUHHUSA-N -1 1 384.419 1.906 20 0 GDADMM CC(C)c1cccc(C(=O)N(C)C[C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001574754042 950557089 /nfs/dbraw/zinc/55/70/89/950557089.db2.gz WLNGBSQKORZXEW-GFCCVEGCSA-N -1 1 381.444 1.748 20 0 GDADMM CC(C)c1cccc(C(=O)N(C)C[C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001574754042 950557103 /nfs/dbraw/zinc/55/71/03/950557103.db2.gz WLNGBSQKORZXEW-GFCCVEGCSA-N -1 1 381.444 1.748 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc2[nH]ccc2n1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574754177 950565431 /nfs/dbraw/zinc/56/54/31/950565431.db2.gz ZFVUGKQMPMUIPH-SNVBAGLBSA-N -1 1 378.400 1.106 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc2[nH]ccc2n1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574754177 950565444 /nfs/dbraw/zinc/56/54/44/950565444.db2.gz ZFVUGKQMPMUIPH-SNVBAGLBSA-N -1 1 378.400 1.106 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cc(F)ccc1F ZINC001575917525 950582148 /nfs/dbraw/zinc/58/21/48/950582148.db2.gz YTCQFNIKMKBJHO-NOZJJQNGSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cc(F)ccc1F ZINC001575917525 950582165 /nfs/dbraw/zinc/58/21/65/950582165.db2.gz YTCQFNIKMKBJHO-NOZJJQNGSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C)C(F)(F)F ZINC001574511985 950582572 /nfs/dbraw/zinc/58/25/72/950582572.db2.gz YUOHFACFXYILBA-OPRDCNLKSA-N -1 1 384.366 1.186 20 0 GDADMM CC(C)CCC(=O)N1CCC[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001574172924 950586827 /nfs/dbraw/zinc/58/68/27/950586827.db2.gz CQECOZNPKLDGHA-IBGZPJMESA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)CCC(=O)N1CCC[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001574172924 950586847 /nfs/dbraw/zinc/58/68/47/950586847.db2.gz CQECOZNPKLDGHA-IBGZPJMESA-N -1 1 384.488 1.912 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cnc(C2CC2)nc1 ZINC001575918626 950594703 /nfs/dbraw/zinc/59/47/03/950594703.db2.gz DHIJEJLKDYZOGO-MFKMUULPSA-N -1 1 392.427 1.039 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cnc(C2CC2)nc1 ZINC001575918626 950594720 /nfs/dbraw/zinc/59/47/20/950594720.db2.gz DHIJEJLKDYZOGO-MFKMUULPSA-N -1 1 392.427 1.039 20 0 GDADMM CC(C)(C)OCC(=O)NC1(CNc2ccnc(-c3nn[n-]n3)n2)CCCCC1 ZINC001573870908 950604323 /nfs/dbraw/zinc/60/43/23/950604323.db2.gz ZSGCLNAEPZTGJJ-UHFFFAOYSA-N -1 1 388.476 1.125 20 0 GDADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc2ccccc2o1 ZINC001575919074 950605406 /nfs/dbraw/zinc/60/54/06/950605406.db2.gz FWQHYRZBEPEOHJ-DGCLKSJQSA-N -1 1 390.407 1.540 20 0 GDADMM C[C@H](CNC(=O)c1cc2c([nH]1)CCCC2)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575000871 950615930 /nfs/dbraw/zinc/61/59/30/950615930.db2.gz HLEDPCFBTYTMLU-LLVKDONJSA-N -1 1 381.444 1.118 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C[C@H](C)c1ccccc1F ZINC001574513786 950619637 /nfs/dbraw/zinc/61/96/37/950619637.db2.gz ZLVUCVQZHRRPJD-NWDGAFQWSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@H](C)c1ccccc1F ZINC001574513786 950619655 /nfs/dbraw/zinc/61/96/55/950619655.db2.gz ZLVUCVQZHRRPJD-NWDGAFQWSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cccnc1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574759971 950650394 /nfs/dbraw/zinc/65/03/94/950650394.db2.gz QZBYQSFSRKTNRY-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccncc1 ZINC001574518273 950650908 /nfs/dbraw/zinc/65/09/08/950650908.db2.gz NEOXXFDYSSJTPX-MRVWCRGKSA-N -1 1 379.428 1.305 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccncc1 ZINC001574518273 950650920 /nfs/dbraw/zinc/65/09/20/950650920.db2.gz NEOXXFDYSSJTPX-MRVWCRGKSA-N -1 1 379.428 1.305 20 0 GDADMM C[C@H](CNC(=O)c1cc2c([nH]1)CCCC2)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575002292 950655721 /nfs/dbraw/zinc/65/57/21/950655721.db2.gz RCSBJGIRGRYAKO-NSHDSACASA-N -1 1 381.444 1.342 20 0 GDADMM C[C@H](CNC(=O)c1cc2c([nH]1)CCCC2)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575002292 950655738 /nfs/dbraw/zinc/65/57/38/950655738.db2.gz RCSBJGIRGRYAKO-NSHDSACASA-N -1 1 381.444 1.342 20 0 GDADMM CC1(C)[C@H](NC(=O)CC2CC2)[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)[C@@H]21 ZINC001575623862 950656612 /nfs/dbraw/zinc/65/66/12/950656612.db2.gz LAXKTKVAVCNZSZ-JLZZUVOBSA-N -1 1 382.472 1.566 20 0 GDADMM CC1(C)[C@H](NC(=O)CC2CC2)[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)[C@@H]21 ZINC001575623862 950656622 /nfs/dbraw/zinc/65/66/22/950656622.db2.gz LAXKTKVAVCNZSZ-JLZZUVOBSA-N -1 1 382.472 1.566 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)CC(C)(C)C ZINC001574518385 950656630 /nfs/dbraw/zinc/65/66/30/950656630.db2.gz OISOUZKVYBNJQD-APNQJHFZSA-N -1 1 384.488 1.670 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)CC(C)(C)C ZINC001574518385 950656642 /nfs/dbraw/zinc/65/66/42/950656642.db2.gz OISOUZKVYBNJQD-APNQJHFZSA-N -1 1 384.488 1.670 20 0 GDADMM C[C@@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C[C@@H]1O ZINC001576214078 950661302 /nfs/dbraw/zinc/66/13/02/950661302.db2.gz MNCDSGLRCBUEGF-KCJUWKMLSA-N -1 1 391.375 1.277 20 0 GDADMM CC1(C)[C@H](NC(=O)CCCF)[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)[C@@H]21 ZINC001575624781 950676816 /nfs/dbraw/zinc/67/68/16/950676816.db2.gz OGSHCGFVJIOJET-GLQYFDAESA-N -1 1 388.451 1.516 20 0 GDADMM C[C@H](CC(=O)N[C@]12CCC[C@H]1CN(c1ccc(-c3nnn[n-]3)nn1)C2)C1CC1 ZINC001574519288 950678571 /nfs/dbraw/zinc/67/85/71/950678571.db2.gz DOVUVQZHMJPEPA-UHYGZKCKSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](CC(=O)N[C@]12CCC[C@H]1CN(c1ccc(-c3nn[n-]n3)nn1)C2)C1CC1 ZINC001574519288 950678581 /nfs/dbraw/zinc/67/85/81/950678581.db2.gz DOVUVQZHMJPEPA-UHYGZKCKSA-N -1 1 382.472 1.568 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573876750 950679864 /nfs/dbraw/zinc/67/98/64/950679864.db2.gz UXUCJLPGRVVKJB-MGPQQGTHSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CC[C@@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573876750 950679885 /nfs/dbraw/zinc/67/98/85/950679885.db2.gz UXUCJLPGRVVKJB-MGPQQGTHSA-N -1 1 384.488 1.989 20 0 GDADMM CC1(C)C2CCC1(C(=O)N1CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C1)CC2 ZINC001575624904 950680063 /nfs/dbraw/zinc/68/00/63/950680063.db2.gz QGWZXVKNGSDHCE-MLZJXEJWSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(C)C2CCC1(C(=O)N1CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C1)CC2 ZINC001575624904 950680081 /nfs/dbraw/zinc/68/00/81/950680081.db2.gz QGWZXVKNGSDHCE-MLZJXEJWSA-N -1 1 382.472 1.886 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N(C)C[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574760834 950684683 /nfs/dbraw/zinc/68/46/83/950684683.db2.gz MPDGXUYQWKAFCX-LLVKDONJSA-N -1 1 384.448 1.086 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N(C)C[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574760834 950684697 /nfs/dbraw/zinc/68/46/97/950684697.db2.gz MPDGXUYQWKAFCX-LLVKDONJSA-N -1 1 384.448 1.086 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccnc(C2CC2)c1 ZINC001575925685 950689194 /nfs/dbraw/zinc/68/91/94/950689194.db2.gz HXGLJEAHTDYTOF-BXUZGUMPSA-N -1 1 391.439 1.644 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccnc(C2CC2)c1 ZINC001575925685 950689203 /nfs/dbraw/zinc/68/92/03/950689203.db2.gz HXGLJEAHTDYTOF-BXUZGUMPSA-N -1 1 391.439 1.644 20 0 GDADMM CC1(C)CC(C(=O)N2CCC[C@@H]3[C@H]2CCN3c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575625629 950689976 /nfs/dbraw/zinc/68/99/76/950689976.db2.gz VLROYCNBHUPGTJ-HUUCEWRRSA-N -1 1 382.472 1.663 20 0 GDADMM CC1(C)CC(C(=O)N2CCC[C@@H]3[C@H]2CCN3c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575625629 950689993 /nfs/dbraw/zinc/68/99/93/950689993.db2.gz VLROYCNBHUPGTJ-HUUCEWRRSA-N -1 1 382.472 1.663 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001575625607 950692726 /nfs/dbraw/zinc/69/27/26/950692726.db2.gz SMNGCDLGJJKVDE-YABSGUDNSA-N -1 1 382.472 1.280 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001575625607 950692734 /nfs/dbraw/zinc/69/27/34/950692734.db2.gz SMNGCDLGJJKVDE-YABSGUDNSA-N -1 1 382.472 1.280 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C2CCC2)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576215358 950695775 /nfs/dbraw/zinc/69/57/75/950695775.db2.gz AQZWFGHNFGZWIJ-JSGCOSHPSA-N -1 1 384.488 1.554 20 0 GDADMM CC(C)c1ncc(C(=O)N(C)C[C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)s1 ZINC001574761679 950699933 /nfs/dbraw/zinc/69/99/33/950699933.db2.gz VELKOPKCYQHBFE-JTQLQIEISA-N -1 1 387.473 1.231 20 0 GDADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cccc(Cl)c1 ZINC001575926271 950706370 /nfs/dbraw/zinc/70/63/70/950706370.db2.gz XELPCHRPFKTIRJ-GXFFZTMASA-N -1 1 384.831 1.447 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccnnc1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574762639 950709324 /nfs/dbraw/zinc/70/93/24/950709324.db2.gz ZUOYYZHMHGSITL-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccnnc1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574762639 950709335 /nfs/dbraw/zinc/70/93/35/950709335.db2.gz ZUOYYZHMHGSITL-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CN(C)C(=O)c1cn(C)c2ccccc12)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574762608 950710896 /nfs/dbraw/zinc/71/08/96/950710896.db2.gz ZNHRPHJCMNNLTF-GFCCVEGCSA-N -1 1 391.439 1.721 20 0 GDADMM C[C@H](CN(C)C(=O)c1cn(C)c2ccccc12)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574762608 950710916 /nfs/dbraw/zinc/71/09/16/950710916.db2.gz ZNHRPHJCMNNLTF-GFCCVEGCSA-N -1 1 391.439 1.721 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C2CCCC2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576216353 950732751 /nfs/dbraw/zinc/73/27/51/950732751.db2.gz DJSNSEFMDVASRP-TZMCWYRMSA-N -1 1 384.488 1.554 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)c2ccccc2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576216581 950738294 /nfs/dbraw/zinc/73/82/94/950738294.db2.gz DMDUSVMYNCZXMQ-DZGCQCFKSA-N -1 1 392.467 1.315 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ncoc1C1CC1 ZINC001575927363 950744021 /nfs/dbraw/zinc/74/40/21/950744021.db2.gz PKMBCPZVMAPRNX-KOLCDFICSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ncoc1C1CC1 ZINC001575927363 950744036 /nfs/dbraw/zinc/74/40/36/950744036.db2.gz PKMBCPZVMAPRNX-KOLCDFICSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ncoc1C1CC1 ZINC001575927364 950744201 /nfs/dbraw/zinc/74/42/01/950744201.db2.gz PKMBCPZVMAPRNX-MWLCHTKSSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ncoc1C1CC1 ZINC001575927364 950744221 /nfs/dbraw/zinc/74/42/21/950744221.db2.gz PKMBCPZVMAPRNX-MWLCHTKSSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)Cc1cccc(F)c1 ZINC001575927727 950750532 /nfs/dbraw/zinc/75/05/32/950750532.db2.gz SWZWQGYYLGAOIT-RISCZKNCSA-N -1 1 382.403 1.440 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)Cc1cccc(F)c1 ZINC001575927727 950750543 /nfs/dbraw/zinc/75/05/43/950750543.db2.gz SWZWQGYYLGAOIT-RISCZKNCSA-N -1 1 382.403 1.440 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576217357 950758494 /nfs/dbraw/zinc/75/84/94/950758494.db2.gz GYOPUCBQSVQPHP-QWRGUYRKSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576217357 950758508 /nfs/dbraw/zinc/75/85/08/950758508.db2.gz GYOPUCBQSVQPHP-QWRGUYRKSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1cccs1 ZINC001575927840 950760921 /nfs/dbraw/zinc/76/09/21/950760921.db2.gz VFCGARWZMBHTBW-YPMHNXCESA-N -1 1 384.469 1.752 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1cccs1 ZINC001575927840 950760935 /nfs/dbraw/zinc/76/09/35/950760935.db2.gz VFCGARWZMBHTBW-YPMHNXCESA-N -1 1 384.469 1.752 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccc(CF)cc1 ZINC001575927945 950764339 /nfs/dbraw/zinc/76/43/39/950764339.db2.gz WMOKDGQUJXINIM-BXUZGUMPSA-N -1 1 382.403 1.841 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccc(CF)cc1 ZINC001575927945 950764350 /nfs/dbraw/zinc/76/43/50/950764350.db2.gz WMOKDGQUJXINIM-BXUZGUMPSA-N -1 1 382.403 1.841 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C(F)F)CC[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576217696 950767710 /nfs/dbraw/zinc/76/77/10/950767710.db2.gz IRXSAOOYQICBGX-ZJUUUORDSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C(F)F)CC[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576217696 950767718 /nfs/dbraw/zinc/76/77/18/950767718.db2.gz IRXSAOOYQICBGX-ZJUUUORDSA-N -1 1 380.403 1.597 20 0 GDADMM CC(C)(C)c1ccccc1C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573884016 950777172 /nfs/dbraw/zinc/77/71/72/950777172.db2.gz CKHXJRURFCMMCF-UHFFFAOYSA-N -1 1 392.467 1.917 20 0 GDADMM CC(C)(C)c1ccccc1C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573884016 950777179 /nfs/dbraw/zinc/77/71/79/950777179.db2.gz CKHXJRURFCMMCF-UHFFFAOYSA-N -1 1 392.467 1.917 20 0 GDADMM CC(C)n1cccc1C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)[C@H]1C ZINC001575929496 950785479 /nfs/dbraw/zinc/78/54/79/950785479.db2.gz CDYMFSSJRBAVBS-CHWSQXEVSA-N -1 1 381.444 1.754 20 0 GDADMM CC(C)n1cccc1C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)[C@H]1C ZINC001575929496 950785494 /nfs/dbraw/zinc/78/54/94/950785494.db2.gz CDYMFSSJRBAVBS-CHWSQXEVSA-N -1 1 381.444 1.754 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C(F)(F)F)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576219098 950798821 /nfs/dbraw/zinc/79/88/21/950798821.db2.gz SJGDSEKBGKVCAU-WPRPVWTQSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C(F)(F)F)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576219098 950798830 /nfs/dbraw/zinc/79/88/30/950798830.db2.gz SJGDSEKBGKVCAU-WPRPVWTQSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)Cc1cccc(F)c1 ZINC001575931449 950804405 /nfs/dbraw/zinc/80/44/05/950804405.db2.gz HVPHJYKDQHZUQT-BXUZGUMPSA-N -1 1 382.403 1.440 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)Cc1cccc(F)c1 ZINC001575931449 950804434 /nfs/dbraw/zinc/80/44/34/950804434.db2.gz HVPHJYKDQHZUQT-BXUZGUMPSA-N -1 1 382.403 1.440 20 0 GDADMM CC(C)CCCC(=O)N1CCC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001574186542 950819948 /nfs/dbraw/zinc/81/99/48/950819948.db2.gz HDBCMNKQLVRTGK-GOEBONIOSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CCCC(=O)N1CCC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001574186542 950819966 /nfs/dbraw/zinc/81/99/66/950819966.db2.gz HDBCMNKQLVRTGK-GOEBONIOSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)c2ccccc2)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576220112 950825183 /nfs/dbraw/zinc/82/51/83/950825183.db2.gz QKZDBJZRQFFADY-ZFWWWQNUSA-N -1 1 392.467 1.893 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)c2ccccc2)C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576220112 950825206 /nfs/dbraw/zinc/82/52/06/950825206.db2.gz QKZDBJZRQFFADY-ZFWWWQNUSA-N -1 1 392.467 1.893 20 0 GDADMM CC1(C)C[C@H]1C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)CC(C)(C)C1 ZINC001575638482 950834838 /nfs/dbraw/zinc/83/48/38/950834838.db2.gz DTLKPKZBDQMCTA-OLZOCXBDSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C[C@H]1C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)CC(C)(C)C1 ZINC001575638482 950834858 /nfs/dbraw/zinc/83/48/58/950834858.db2.gz DTLKPKZBDQMCTA-OLZOCXBDSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](CN(C)C(=O)c1onc2c1CCCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574767213 950840275 /nfs/dbraw/zinc/84/02/75/950840275.db2.gz NEGLRJRPJATJAH-JTQLQIEISA-N -1 1 383.416 1.096 20 0 GDADMM C[C@@H](CN(C)C(=O)c1onc2c1CCCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574767213 950840296 /nfs/dbraw/zinc/84/02/96/950840296.db2.gz NEGLRJRPJATJAH-JTQLQIEISA-N -1 1 383.416 1.096 20 0 GDADMM C[C@@H](CN(C)C(=O)c1scnc1Cl)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574767167 950844578 /nfs/dbraw/zinc/84/45/78/950844578.db2.gz MOVHXIPGEFYSHD-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CN(C)C(=O)c1scnc1Cl)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574767167 950844602 /nfs/dbraw/zinc/84/46/02/950844602.db2.gz MOVHXIPGEFYSHD-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cc(Cl)cn1C ZINC001575934469 950856473 /nfs/dbraw/zinc/85/64/73/950856473.db2.gz RTJCKDJDNGKHQU-KOLCDFICSA-N -1 1 387.835 1.364 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(Cl)cn1C ZINC001575934469 950856494 /nfs/dbraw/zinc/85/64/94/950856494.db2.gz RTJCKDJDNGKHQU-KOLCDFICSA-N -1 1 387.835 1.364 20 0 GDADMM C[C@@H](CN(C)C(=O)c1csc(C2CC2)n1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574767612 950860737 /nfs/dbraw/zinc/86/07/37/950860737.db2.gz TVPNYQFLGBBFHV-VIFPVBQESA-N -1 1 385.457 1.563 20 0 GDADMM C[C@@H](CN(C)C(=O)c1csc(C2CC2)n1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574767612 950860757 /nfs/dbraw/zinc/86/07/57/950860757.db2.gz TVPNYQFLGBBFHV-VIFPVBQESA-N -1 1 385.457 1.563 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CCCC2)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576222068 950862153 /nfs/dbraw/zinc/86/21/53/950862153.db2.gz XGFPMCBQVQOELM-JQWIXIFHSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CCCC2)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576222068 950862163 /nfs/dbraw/zinc/86/21/63/950862163.db2.gz XGFPMCBQVQOELM-JQWIXIFHSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)(F)F)CC2)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576222037 950865076 /nfs/dbraw/zinc/86/50/76/950865076.db2.gz XEBDSAHAKRARGC-DTWKUNHWSA-N -1 1 382.350 1.258 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)(F)F)CC2)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576222037 950865096 /nfs/dbraw/zinc/86/50/96/950865096.db2.gz XEBDSAHAKRARGC-DTWKUNHWSA-N -1 1 382.350 1.258 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C(F)F)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576222332 950868516 /nfs/dbraw/zinc/86/85/16/950868516.db2.gz YADNKGPEJIUORG-VHSXEESVSA-N -1 1 380.403 1.454 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C(F)F)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576222332 950868538 /nfs/dbraw/zinc/86/85/38/950868538.db2.gz YADNKGPEJIUORG-VHSXEESVSA-N -1 1 380.403 1.454 20 0 GDADMM CC1(C)C[C@@H](NC(=O)CCC2CC2)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575639874 950879063 /nfs/dbraw/zinc/87/90/63/950879063.db2.gz CEEKGTZKRFIQNG-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)C[C@@H](NC(=O)CCC2CC2)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575639874 950879075 /nfs/dbraw/zinc/87/90/75/950879075.db2.gz CEEKGTZKRFIQNG-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(CC(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)CC(F)F ZINC001573893481 950884647 /nfs/dbraw/zinc/88/46/47/950884647.db2.gz HUUVQWBEUDKRFJ-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)(CC(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)CC(F)F ZINC001573893481 950884670 /nfs/dbraw/zinc/88/46/70/950884670.db2.gz HUUVQWBEUDKRFJ-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM CC1(C)C[C@H](NC(=O)[C@@H]2CC2(F)F)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575640091 950886617 /nfs/dbraw/zinc/88/66/17/950886617.db2.gz XASAGXXZJXZFBB-MNOVXSKESA-N -1 1 392.414 1.423 20 0 GDADMM CC1(C)C[C@H](NC(=O)[C@@H]2CC2(F)F)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575640091 950886644 /nfs/dbraw/zinc/88/66/44/950886644.db2.gz XASAGXXZJXZFBB-MNOVXSKESA-N -1 1 392.414 1.423 20 0 GDADMM C[C@H]1CN(C(=O)C2CCC(F)(F)CC2)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576227311 950907405 /nfs/dbraw/zinc/90/74/05/950907405.db2.gz FTPQDBZFOPZMAC-GWCFXTLKSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@H]1CN(C(=O)C2CCC(F)(F)CC2)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576227311 950907415 /nfs/dbraw/zinc/90/74/15/950907415.db2.gz FTPQDBZFOPZMAC-GWCFXTLKSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H]1[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCN1C(=O)c1cccnn1 ZINC001575936620 950922966 /nfs/dbraw/zinc/92/29/66/950922966.db2.gz GTKFLFIIBYJYJO-HTQZYQBOSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCN1C(=O)c1cccnn1 ZINC001575936620 950922981 /nfs/dbraw/zinc/92/29/81/950922981.db2.gz GTKFLFIIBYJYJO-HTQZYQBOSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1C[C@@H](C(=O)N(C)CC(C)(C)CNc2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC001575936866 950931331 /nfs/dbraw/zinc/93/13/31/950931331.db2.gz AFAGWSVLBRAGPJ-STQMWFEESA-N -1 1 388.476 1.368 20 0 GDADMM C[C@H]1C[C@@H](C(=O)N(C)CC(C)(C)CNc2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC001575936866 950931348 /nfs/dbraw/zinc/93/13/48/950931348.db2.gz AFAGWSVLBRAGPJ-STQMWFEESA-N -1 1 388.476 1.368 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N1CC[C@@]2(C1)CCCN(c1nccnc1-c1nnn[n-]1)C2 ZINC001575642467 950948184 /nfs/dbraw/zinc/94/81/84/950948184.db2.gz HEUNOBJHSPFITL-YJYMSZOUSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N1CC[C@@]2(C1)CCCN(c1nccnc1-c1nn[n-]n1)C2 ZINC001575642467 950948202 /nfs/dbraw/zinc/94/82/02/950948202.db2.gz HEUNOBJHSPFITL-YJYMSZOUSA-N -1 1 382.472 1.522 20 0 GDADMM CC(C)(CC(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)C1CC1 ZINC001573896220 950949112 /nfs/dbraw/zinc/94/91/12/950949112.db2.gz GVMPMLGFUMWSRN-ZSOGYDGISA-N -1 1 382.472 1.281 20 0 GDADMM CC(C)(CC(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)C1CC1 ZINC001573896220 950949133 /nfs/dbraw/zinc/94/91/33/950949133.db2.gz GVMPMLGFUMWSRN-ZSOGYDGISA-N -1 1 382.472 1.281 20 0 GDADMM CC1(C)C[C@@H](NC(=O)c2ccc[nH]2)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575642959 950954593 /nfs/dbraw/zinc/95/45/93/950954593.db2.gz WOGBKIMMOWFPHL-LBPRGKRZSA-N -1 1 381.444 1.410 20 0 GDADMM CC1(C)C[C@@H](NC(=O)c2ccc[nH]2)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575642959 950954604 /nfs/dbraw/zinc/95/46/04/950954604.db2.gz WOGBKIMMOWFPHL-LBPRGKRZSA-N -1 1 381.444 1.410 20 0 GDADMM C[C@@H]1[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCN1C(=O)c1cocn1 ZINC001575938217 950971924 /nfs/dbraw/zinc/97/19/24/950971924.db2.gz JMCLPOBFTDUWPH-RNFRBKRXSA-N -1 1 380.821 1.680 20 0 GDADMM C[C@@H]1[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCN1C(=O)c1cocn1 ZINC001575938217 950971970 /nfs/dbraw/zinc/97/19/70/950971970.db2.gz JMCLPOBFTDUWPH-RNFRBKRXSA-N -1 1 380.821 1.680 20 0 GDADMM CC(C)(CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001573900008 950992074 /nfs/dbraw/zinc/99/20/74/950992074.db2.gz OUEMUCUPADPBII-SNPRPXQTSA-N -1 1 382.472 1.709 20 0 GDADMM CC(C)(CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001573900008 950992088 /nfs/dbraw/zinc/99/20/88/950992088.db2.gz OUEMUCUPADPBII-SNPRPXQTSA-N -1 1 382.472 1.709 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573900012 950992308 /nfs/dbraw/zinc/99/23/08/950992308.db2.gz OYXIZRMQJUDUGN-UHFFFAOYSA-N -1 1 384.366 1.696 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573900012 950992325 /nfs/dbraw/zinc/99/23/25/950992325.db2.gz OYXIZRMQJUDUGN-UHFFFAOYSA-N -1 1 384.366 1.696 20 0 GDADMM CC(C)c1ccc(C(=O)NC[C@H](C)CNc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001575017427 950993467 /nfs/dbraw/zinc/99/34/67/950993467.db2.gz FXAQEMBMGOCJAS-CYBMUJFWSA-N -1 1 380.456 1.680 20 0 GDADMM C[C@H]1CN(C(=O)C2C(C)(C)C2(C)C)CC[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576230315 950999553 /nfs/dbraw/zinc/99/95/53/950999553.db2.gz AWWXSBINXQHYHK-NWDGAFQWSA-N -1 1 384.488 1.988 20 0 GDADMM C[C@H]1CN(C(=O)C2C(C)(C)C2(C)C)CC[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576230315 950999567 /nfs/dbraw/zinc/99/95/67/950999567.db2.gz AWWXSBINXQHYHK-NWDGAFQWSA-N -1 1 384.488 1.988 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001573900193 950999439 /nfs/dbraw/zinc/99/94/39/950999439.db2.gz UJCYQYWAJZVYGQ-NFAWXSAZSA-N -1 1 382.472 1.709 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001573900193 950999461 /nfs/dbraw/zinc/99/94/61/950999461.db2.gz UJCYQYWAJZVYGQ-NFAWXSAZSA-N -1 1 382.472 1.709 20 0 GDADMM CC(C)c1ccc(C(=O)NC[C@H](C)CNc2ccc(-c3nnn[n-]3)nn2)nc1 ZINC001575017643 951003935 /nfs/dbraw/zinc/00/39/35/951003935.db2.gz IIMRGFMYUBRPNE-GFCCVEGCSA-N -1 1 381.444 1.653 20 0 GDADMM CC(C)c1ccc(C(=O)NC[C@H](C)CNc2ccc(-c3nn[n-]n3)nn2)nc1 ZINC001575017643 951003957 /nfs/dbraw/zinc/00/39/57/951003957.db2.gz IIMRGFMYUBRPNE-GFCCVEGCSA-N -1 1 381.444 1.653 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575017610 951004237 /nfs/dbraw/zinc/00/42/37/951004237.db2.gz IBJIUKTUIOLZCU-VIFPVBQESA-N -1 1 392.345 1.906 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575017610 951004257 /nfs/dbraw/zinc/00/42/57/951004257.db2.gz IBJIUKTUIOLZCU-VIFPVBQESA-N -1 1 392.345 1.906 20 0 GDADMM CC(C)(CC(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)CC(F)F ZINC001573900362 951005729 /nfs/dbraw/zinc/00/57/29/951005729.db2.gz YDKYSHVRBUXRNV-MGCOHNPYSA-N -1 1 380.403 1.787 20 0 GDADMM CC(C)(CC(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)CC(F)F ZINC001573900362 951005737 /nfs/dbraw/zinc/00/57/37/951005737.db2.gz YDKYSHVRBUXRNV-MGCOHNPYSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(C)(F)F)cc1)Nc1nccnc1-c1nnn[n-]1 ZINC001575018656 951025834 /nfs/dbraw/zinc/02/58/34/951025834.db2.gz NYEJBSIRYQBWCL-SNVBAGLBSA-N -1 1 388.382 1.999 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(C)(F)F)cc1)Nc1nccnc1-c1nn[n-]n1 ZINC001575018656 951025850 /nfs/dbraw/zinc/02/58/50/951025850.db2.gz NYEJBSIRYQBWCL-SNVBAGLBSA-N -1 1 388.382 1.999 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(C)(C)C)cn1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575020165 951049711 /nfs/dbraw/zinc/04/97/11/951049711.db2.gz ZFZALQJPODPMHX-NSHDSACASA-N -1 1 381.444 1.580 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(C)(C)C)cn1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575020165 951049728 /nfs/dbraw/zinc/04/97/28/951049728.db2.gz ZFZALQJPODPMHX-NSHDSACASA-N -1 1 381.444 1.580 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(C)(C)C)cn1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575020090 951050037 /nfs/dbraw/zinc/05/00/37/951050037.db2.gz XWAPEBSIQXEBKQ-NSHDSACASA-N -1 1 381.444 1.580 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(C)(C)C)cn1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575020090 951050050 /nfs/dbraw/zinc/05/00/50/951050050.db2.gz XWAPEBSIQXEBKQ-NSHDSACASA-N -1 1 381.444 1.580 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C2CC2)cn1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575021272 951063688 /nfs/dbraw/zinc/06/36/88/951063688.db2.gz CRBZJJPQEVSVTQ-LLVKDONJSA-N -1 1 379.428 1.184 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C2CC2)cn1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575021272 951063701 /nfs/dbraw/zinc/06/37/01/951063701.db2.gz CRBZJJPQEVSVTQ-LLVKDONJSA-N -1 1 379.428 1.184 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)cc1F)CNc1nccnc1-c1nnn[n-]1 ZINC001575021643 951064877 /nfs/dbraw/zinc/06/48/77/951064877.db2.gz FASQYVQXTSAGEO-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)cc1F)CNc1nccnc1-c1nn[n-]n1 ZINC001575021643 951064892 /nfs/dbraw/zinc/06/48/92/951064892.db2.gz FASQYVQXTSAGEO-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(N(C)C)cc1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575024291 951097464 /nfs/dbraw/zinc/09/74/64/951097464.db2.gz AADZVSXVXFNFON-GFCCVEGCSA-N -1 1 381.444 1.201 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(N(C)C)cc1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575024291 951097477 /nfs/dbraw/zinc/09/74/77/951097477.db2.gz AADZVSXVXFNFON-GFCCVEGCSA-N -1 1 381.444 1.201 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(N(C)C)c(F)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575024745 951114862 /nfs/dbraw/zinc/11/48/62/951114862.db2.gz LUZOVDUCYOUYJR-JTQLQIEISA-N -1 1 385.407 1.092 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(N(C)C)c(F)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575024745 951114868 /nfs/dbraw/zinc/11/48/68/951114868.db2.gz LUZOVDUCYOUYJR-JTQLQIEISA-N -1 1 385.407 1.092 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCC=C2)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575024867 951117085 /nfs/dbraw/zinc/11/70/85/951117085.db2.gz ONYMPLVEXDJAOH-CYBMUJFWSA-N -1 1 390.451 1.516 20 0 GDADMM C[C@H](CNC(=O)c1cccc(C(F)F)c1F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575025782 951133946 /nfs/dbraw/zinc/13/39/46/951133946.db2.gz AGHZXXMDTGDTCE-MRVPVSSYSA-N -1 1 392.345 1.964 20 0 GDADMM C[C@H](CNC(=O)c1cccc(C(F)F)c1F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575025782 951133953 /nfs/dbraw/zinc/13/39/53/951133953.db2.gz AGHZXXMDTGDTCE-MRVPVSSYSA-N -1 1 392.345 1.964 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2ccn(C)c2c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575026459 951144757 /nfs/dbraw/zinc/14/47/57/951144757.db2.gz KVCHAYYZPHOJKZ-NSHDSACASA-N -1 1 377.412 1.379 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2ccn(C)c2c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575026459 951144766 /nfs/dbraw/zinc/14/47/66/951144766.db2.gz KVCHAYYZPHOJKZ-NSHDSACASA-N -1 1 377.412 1.379 20 0 GDADMM CC(C)Oc1ccccc1C(=O)NC[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575026950 951150796 /nfs/dbraw/zinc/15/07/96/951150796.db2.gz BGZOEYPWRCRFKB-GFCCVEGCSA-N -1 1 382.428 1.674 20 0 GDADMM CC(C)Oc1ccccc1C(=O)NC[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575026950 951150798 /nfs/dbraw/zinc/15/07/98/951150798.db2.gz BGZOEYPWRCRFKB-GFCCVEGCSA-N -1 1 382.428 1.674 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2cnccc2c1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575028376 951172821 /nfs/dbraw/zinc/17/28/21/951172821.db2.gz VWIGVWUXGQFJHP-GFCCVEGCSA-N -1 1 389.423 1.683 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2cnccc2c1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575028376 951172828 /nfs/dbraw/zinc/17/28/28/951172828.db2.gz VWIGVWUXGQFJHP-GFCCVEGCSA-N -1 1 389.423 1.683 20 0 GDADMM C[C@H](CNC(=O)c1ccccc1C1(C)CC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575029851 951189896 /nfs/dbraw/zinc/18/98/96/951189896.db2.gz YCPLSOHHRJPLOS-GFCCVEGCSA-N -1 1 378.440 1.939 20 0 GDADMM C[C@H](CNC(=O)c1ccccc1C1(C)CC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575029851 951189901 /nfs/dbraw/zinc/18/99/01/951189901.db2.gz YCPLSOHHRJPLOS-GFCCVEGCSA-N -1 1 378.440 1.939 20 0 GDADMM C[C@@H](CNC(=O)c1cccn1C)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575031461 951194182 /nfs/dbraw/zinc/19/41/82/951194182.db2.gz ALIOGXIANIEPPU-QMMMGPOBSA-N -1 1 380.865 1.570 20 0 GDADMM C[C@H](CNC(=O)c1cccc2c1O[C@H](C)C2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575030157 951194407 /nfs/dbraw/zinc/19/44/07/951194407.db2.gz ZXWDEFSYMLLEGL-GHMZBOCLSA-N -1 1 380.412 1.211 20 0 GDADMM C[C@H](CNC(=O)c1cccc2c1O[C@H](C)C2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575030157 951194418 /nfs/dbraw/zinc/19/44/18/951194418.db2.gz ZXWDEFSYMLLEGL-GHMZBOCLSA-N -1 1 380.412 1.211 20 0 GDADMM C[C@@H](CNC(=O)c1cccnc1C(F)F)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575032298 951222479 /nfs/dbraw/zinc/22/24/79/951222479.db2.gz WMYQANNKEBWVBZ-VIFPVBQESA-N -1 1 389.370 1.244 20 0 GDADMM C[C@@H](CNC(=O)c1cccnc1C(F)F)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575032298 951222488 /nfs/dbraw/zinc/22/24/88/951222488.db2.gz WMYQANNKEBWVBZ-VIFPVBQESA-N -1 1 389.370 1.244 20 0 GDADMM C[C@@H](CNC(=O)c1ccnn1C1CCC1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575034163 951237396 /nfs/dbraw/zinc/23/73/96/951237396.db2.gz ITHQSDXALHHLOD-LLVKDONJSA-N -1 1 382.432 1.056 20 0 GDADMM C[C@@H](CNC(=O)c1ccnn1C1CCC1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575034163 951237406 /nfs/dbraw/zinc/23/74/06/951237406.db2.gz ITHQSDXALHHLOD-LLVKDONJSA-N -1 1 382.432 1.056 20 0 GDADMM C[C@@H](CNC(=O)c1cnc(C2CC2)s1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575043027 951380839 /nfs/dbraw/zinc/38/08/39/951380839.db2.gz FPGSWNIVFWPSEG-VIFPVBQESA-N -1 1 385.457 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1cnc(C2CC2)s1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575043027 951380852 /nfs/dbraw/zinc/38/08/52/951380852.db2.gz FPGSWNIVFWPSEG-VIFPVBQESA-N -1 1 385.457 1.245 20 0 GDADMM CCOc1ncccc1C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001593122785 951406255 /nfs/dbraw/zinc/40/62/55/951406255.db2.gz HDYMXURUEPRCJA-QWRGUYRKSA-N -1 1 389.330 1.217 20 0 GDADMM C[C@@H](CNC(=O)c1cnc(CC2CC2)s1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575044039 951408166 /nfs/dbraw/zinc/40/81/66/951408166.db2.gz OBEGDBIHYSQEJE-VIFPVBQESA-N -1 1 385.457 1.296 20 0 GDADMM C[C@@H](CNC(=O)c1cnc(CC2CC2)s1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575044039 951408175 /nfs/dbraw/zinc/40/81/75/951408175.db2.gz OBEGDBIHYSQEJE-VIFPVBQESA-N -1 1 385.457 1.296 20 0 GDADMM C[C@@H](CNC(=O)c1cncc(F)c1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575045546 951428134 /nfs/dbraw/zinc/42/81/34/951428134.db2.gz CWWFYKYNSKYBKB-LURJTMIESA-N -1 1 382.812 1.741 20 0 GDADMM C[C@@H](CNC(=O)c1cncc(F)c1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575045546 951428142 /nfs/dbraw/zinc/42/81/42/951428142.db2.gz CWWFYKYNSKYBKB-LURJTMIESA-N -1 1 382.812 1.741 20 0 GDADMM CC(C)(C)OC(=O)[C@@](C)(O)CNCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001602874651 971750540 /nfs/dbraw/zinc/75/05/40/971750540.db2.gz UURFFYSPLUJEIX-YJYMSZOUSA-N -1 1 382.457 1.763 20 0 GDADMM CC(C)c1nc(C(=O)NC[C@@H](C)CNc2cncc(-c3nnn[n-]3)n2)cs1 ZINC001575056610 951519745 /nfs/dbraw/zinc/51/97/45/951519745.db2.gz JPKXCQWHAIFWSP-JTQLQIEISA-N -1 1 387.473 1.715 20 0 GDADMM CC(C)c1nc(C(=O)NC[C@@H](C)CNc2cncc(-c3nn[n-]n3)n2)cs1 ZINC001575056610 951519749 /nfs/dbraw/zinc/51/97/49/951519749.db2.gz JPKXCQWHAIFWSP-JTQLQIEISA-N -1 1 387.473 1.715 20 0 GDADMM C[C@H](CNC(=O)c1conc1C1CCCC1)Nc1nccnc1-c1nnn[n-]1 ZINC001575057026 951525791 /nfs/dbraw/zinc/52/57/91/951525791.db2.gz NWXDFEZWSWSWCY-SNVBAGLBSA-N -1 1 383.416 1.533 20 0 GDADMM C[C@H](CNC(=O)c1conc1C1CCCC1)Nc1nccnc1-c1nn[n-]n1 ZINC001575057026 951525799 /nfs/dbraw/zinc/52/57/99/951525799.db2.gz NWXDFEZWSWSWCY-SNVBAGLBSA-N -1 1 383.416 1.533 20 0 GDADMM CC(C)[C@@H](CN(C)Cc1ccccc1)NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000398202691 951585228 /nfs/dbraw/zinc/58/52/28/951585228.db2.gz NIDPIUJKWKTUCT-GOSISDBHSA-N -1 1 397.541 1.774 20 0 GDADMM CC(C)c1ncsc1C(=O)NC[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575070163 951649016 /nfs/dbraw/zinc/64/90/16/951649016.db2.gz ONWUPWXQKVRUOO-JTQLQIEISA-N -1 1 387.473 1.715 20 0 GDADMM CC(C)c1ncsc1C(=O)NC[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575070163 951649019 /nfs/dbraw/zinc/64/90/19/951649019.db2.gz ONWUPWXQKVRUOO-JTQLQIEISA-N -1 1 387.473 1.715 20 0 GDADMM O=C([O-])CN1CCC(NC(=O)Nc2ccccc2S(=O)(=O)C2CC2)CC1 ZINC001595077041 951654186 /nfs/dbraw/zinc/65/41/86/951654186.db2.gz VKMGJYKZSWYKNF-UHFFFAOYSA-N -1 1 381.454 1.293 20 0 GDADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)C1CC1 ZINC001575128413 952065427 /nfs/dbraw/zinc/06/54/27/952065427.db2.gz IALMGIYCBVZRIF-IECZYAKXSA-N -1 1 382.472 1.790 20 0 GDADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)C1CC1 ZINC001575128413 952065437 /nfs/dbraw/zinc/06/54/37/952065437.db2.gz IALMGIYCBVZRIF-IECZYAKXSA-N -1 1 382.472 1.790 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)C(C)(C)c1ccccc1 ZINC001575133643 952106304 /nfs/dbraw/zinc/10/63/04/952106304.db2.gz LTSOJESBUOMQFB-CYBMUJFWSA-N -1 1 380.456 1.893 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)C(C)(C)c1ccccc1 ZINC001575133643 952106307 /nfs/dbraw/zinc/10/63/07/952106307.db2.gz LTSOJESBUOMQFB-CYBMUJFWSA-N -1 1 380.456 1.893 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)C[C@H]1CCC(F)(F)C1 ZINC001575135941 952122792 /nfs/dbraw/zinc/12/27/92/952122792.db2.gz UCDPEHWACPKVIM-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)C[C@H]1CCC(F)(F)C1 ZINC001575135941 952122798 /nfs/dbraw/zinc/12/27/98/952122798.db2.gz UCDPEHWACPKVIM-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)C1CC2(CCC2)C1)C1CC1 ZINC001575136910 952131331 /nfs/dbraw/zinc/13/13/31/952131331.db2.gz ROJWZQKJDQZYGM-SFHVURJKSA-N -1 1 382.472 1.356 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc2c(o1)CCCC2 ZINC001575143632 952156518 /nfs/dbraw/zinc/15/65/18/952156518.db2.gz BWGWOOQBHIZEGU-LLVKDONJSA-N -1 1 382.428 1.123 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc(F)cc1Cl ZINC001575144030 952161615 /nfs/dbraw/zinc/16/16/15/952161615.db2.gz FRLNSVNTHJSOJB-SECBINFHSA-N -1 1 390.810 1.444 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1sccc1Cl ZINC001575144863 952173413 /nfs/dbraw/zinc/17/34/13/952173413.db2.gz MVIYYOTWIQMVDC-MRVPVSSYSA-N -1 1 378.849 1.366 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1c(F)cc(F)cc1F ZINC001575145166 952178371 /nfs/dbraw/zinc/17/83/71/952178371.db2.gz RPJGRYBIKCXCQK-QMMMGPOBSA-N -1 1 392.345 1.069 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1coc(C(F)F)c1 ZINC001575145505 952185932 /nfs/dbraw/zinc/18/59/32/952185932.db2.gz YVAPINWOWOELDT-MRVPVSSYSA-N -1 1 378.343 1.182 20 0 GDADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)CC[C@H]1CCOC1)C1CC1 ZINC001575147146 952198800 /nfs/dbraw/zinc/19/88/00/952198800.db2.gz RARXBUNUEJSDHI-SGTLLEGYSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)CC[C@H]1CCOC1)C1CC1 ZINC001575147146 952198806 /nfs/dbraw/zinc/19/88/06/952198806.db2.gz RARXBUNUEJSDHI-SGTLLEGYSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1CCc2cccnc21 ZINC001575153999 952214675 /nfs/dbraw/zinc/21/46/75/952214675.db2.gz NFBHSTATHCUWJZ-DGCLKSJQSA-N -1 1 379.428 1.041 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1CCc2cccnc21 ZINC001575153999 952214680 /nfs/dbraw/zinc/21/46/80/952214680.db2.gz NFBHSTATHCUWJZ-DGCLKSJQSA-N -1 1 379.428 1.041 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H](F)Cc1ccccc1 ZINC001575155021 952233340 /nfs/dbraw/zinc/23/33/40/952233340.db2.gz JOACUZKYMNOUED-JSGCOSHPSA-N -1 1 384.419 1.496 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H](F)Cc1ccccc1 ZINC001575155021 952233346 /nfs/dbraw/zinc/23/33/46/952233346.db2.gz JOACUZKYMNOUED-JSGCOSHPSA-N -1 1 384.419 1.496 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)C(C)(C)[C@@H]1CCCCO1 ZINC001575155038 952233838 /nfs/dbraw/zinc/23/38/38/952233838.db2.gz JPDWTYCEZULIFZ-OCCSQVGLSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)C(C)(C)[C@@H]1CCCCO1 ZINC001575155038 952233846 /nfs/dbraw/zinc/23/38/46/952233846.db2.gz JPDWTYCEZULIFZ-OCCSQVGLSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)CCc1ccco1)C1CC1 ZINC001575155449 952239669 /nfs/dbraw/zinc/23/96/69/952239669.db2.gz YOBCSGUIFBOIQA-GOSISDBHSA-N -1 1 382.428 1.579 20 0 GDADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)CCc1ccco1)C1CC1 ZINC001575155449 952239676 /nfs/dbraw/zinc/23/96/76/952239676.db2.gz YOBCSGUIFBOIQA-GOSISDBHSA-N -1 1 382.428 1.579 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)C1Cc2ccccc2C1 ZINC001575155803 952243409 /nfs/dbraw/zinc/24/34/09/952243409.db2.gz AIQVAJPVUIFVCB-GFCCVEGCSA-N -1 1 378.440 1.331 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)C1Cc2ccccc2C1 ZINC001575155803 952243416 /nfs/dbraw/zinc/24/34/16/952243416.db2.gz AIQVAJPVUIFVCB-GFCCVEGCSA-N -1 1 378.440 1.331 20 0 GDADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)C[C@@H]1C[C@H]1C1CC1)C1CC1 ZINC001575155997 952247416 /nfs/dbraw/zinc/24/74/16/952247416.db2.gz QMBBTTXCJVFKCD-PJFSTRORSA-N -1 1 382.472 1.790 20 0 GDADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)C[C@@H]1C[C@H]1C1CC1)C1CC1 ZINC001575155997 952247425 /nfs/dbraw/zinc/24/74/25/952247425.db2.gz QMBBTTXCJVFKCD-PJFSTRORSA-N -1 1 382.472 1.790 20 0 GDADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)[C@H]1Cc2ccccc21)C1CC1 ZINC001575156215 952250377 /nfs/dbraw/zinc/25/03/77/952250377.db2.gz QVNRNORRAGUSHP-YWZLYKJASA-N -1 1 390.451 1.693 20 0 GDADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)[C@H]1Cc2ccccc21)C1CC1 ZINC001575156215 952250381 /nfs/dbraw/zinc/25/03/81/952250381.db2.gz QVNRNORRAGUSHP-YWZLYKJASA-N -1 1 390.451 1.693 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cc(F)c(F)c(F)c1 ZINC001575157350 952262897 /nfs/dbraw/zinc/26/28/97/952262897.db2.gz LSUHNOGHXQMMRV-QMMMGPOBSA-N -1 1 392.345 1.647 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(F)c(F)c(F)c1 ZINC001575157350 952262900 /nfs/dbraw/zinc/26/29/00/952262900.db2.gz LSUHNOGHXQMMRV-QMMMGPOBSA-N -1 1 392.345 1.647 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CCCc1cccnc1 ZINC001575157956 952268365 /nfs/dbraw/zinc/26/83/65/952268365.db2.gz QKZBZIOWQLJCGR-CYBMUJFWSA-N -1 1 381.444 1.333 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CCCc1cccnc1 ZINC001575157956 952268370 /nfs/dbraw/zinc/26/83/70/952268370.db2.gz QKZBZIOWQLJCGR-CYBMUJFWSA-N -1 1 381.444 1.333 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1nc(Cl)cs1 ZINC001575158389 952270882 /nfs/dbraw/zinc/27/08/82/952270882.db2.gz ULFXSUYXPQVQKF-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1nc(Cl)cs1 ZINC001575158389 952270888 /nfs/dbraw/zinc/27/08/88/952270888.db2.gz ULFXSUYXPQVQKF-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CCCc1ccccn1 ZINC001575158678 952273464 /nfs/dbraw/zinc/27/34/64/952273464.db2.gz XCPZFIKYHQFEBV-CYBMUJFWSA-N -1 1 381.444 1.333 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CCCc1ccccn1 ZINC001575158678 952273470 /nfs/dbraw/zinc/27/34/70/952273470.db2.gz XCPZFIKYHQFEBV-CYBMUJFWSA-N -1 1 381.444 1.333 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)Cc1cc[nH]n1 ZINC001575165373 952307679 /nfs/dbraw/zinc/30/76/79/952307679.db2.gz NYPFBJFTXIAPLJ-ZETCQYMHSA-N -1 1 381.853 1.201 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)[C@]12C[C@H]1COC2 ZINC001575165970 952318659 /nfs/dbraw/zinc/31/86/59/952318659.db2.gz RJNZFEGSSXUSPE-KXEKKFMESA-N -1 1 383.865 1.272 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)[C@]12C[C@H]1COC2 ZINC001575165970 952318668 /nfs/dbraw/zinc/31/86/68/952318668.db2.gz RJNZFEGSSXUSPE-KXEKKFMESA-N -1 1 383.865 1.272 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)C[C@H]1CCOC1 ZINC001575166262 952322028 /nfs/dbraw/zinc/32/20/28/952322028.db2.gz UFKQELVXKOWNNN-RKDXNWHRSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)C[C@H]1CCOC1 ZINC001575166262 952322035 /nfs/dbraw/zinc/32/20/35/952322035.db2.gz UFKQELVXKOWNNN-RKDXNWHRSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)Cc1cc(C2CC2)no1 ZINC001575174639 952376129 /nfs/dbraw/zinc/37/61/29/952376129.db2.gz BKANJMMWGNYCOO-SNVBAGLBSA-N -1 1 383.416 1.024 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)Cc1cc(C2CC2)no1 ZINC001575174639 952376134 /nfs/dbraw/zinc/37/61/34/952376134.db2.gz BKANJMMWGNYCOO-SNVBAGLBSA-N -1 1 383.416 1.024 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)C[C@H]1CCCC1(F)F ZINC001575175177 952383581 /nfs/dbraw/zinc/38/35/81/952383581.db2.gz VNDRAXOBUNIVKO-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)C[C@H]1CCCC1(F)F ZINC001575175177 952383585 /nfs/dbraw/zinc/38/35/85/952383585.db2.gz VNDRAXOBUNIVKO-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)CCCc1cccnc1 ZINC001575176293 952392271 /nfs/dbraw/zinc/39/22/71/952392271.db2.gz ZXRWAYSOWDADIK-ZDUSSCGKSA-N -1 1 381.444 1.333 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)CCCc1cccnc1 ZINC001575176293 952392277 /nfs/dbraw/zinc/39/22/77/952392277.db2.gz ZXRWAYSOWDADIK-ZDUSSCGKSA-N -1 1 381.444 1.333 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ccc(Cl)s1 ZINC001575177529 952401310 /nfs/dbraw/zinc/40/13/10/952401310.db2.gz HZBZKYBJYJQKLW-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ccc(Cl)s1 ZINC001575177529 952401312 /nfs/dbraw/zinc/40/13/12/952401312.db2.gz HZBZKYBJYJQKLW-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)C[C@H]1CCCO1 ZINC001575178173 952405180 /nfs/dbraw/zinc/40/51/80/952405180.db2.gz LBMCVDQEJMUHBP-RKDXNWHRSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)C[C@H]1CCCO1 ZINC001575178173 952405185 /nfs/dbraw/zinc/40/51/85/952405185.db2.gz LBMCVDQEJMUHBP-RKDXNWHRSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)Cc1ccc2n[nH]cc2c1 ZINC001575178795 952408578 /nfs/dbraw/zinc/40/85/78/952408578.db2.gz NGDVAIJNBSEFPD-LLVKDONJSA-N -1 1 392.427 1.035 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)Cc1ccc2n[nH]cc2c1 ZINC001575178795 952408585 /nfs/dbraw/zinc/40/85/85/952408585.db2.gz NGDVAIJNBSEFPD-LLVKDONJSA-N -1 1 392.427 1.035 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)Cc1cccnc1 ZINC001575180170 952415408 /nfs/dbraw/zinc/41/54/08/952415408.db2.gz SMPVULONRZXNMQ-SECBINFHSA-N -1 1 392.876 1.873 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)Cc1cccnc1 ZINC001575180170 952415413 /nfs/dbraw/zinc/41/54/13/952415413.db2.gz SMPVULONRZXNMQ-SECBINFHSA-N -1 1 392.876 1.873 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)Cc1ccccc1Cl ZINC001575180204 952415503 /nfs/dbraw/zinc/41/55/03/952415503.db2.gz TZPBBRKHLHRQCB-LLVKDONJSA-N -1 1 386.847 1.812 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)Cc1ccccc1Cl ZINC001575180204 952415507 /nfs/dbraw/zinc/41/55/07/952415507.db2.gz TZPBBRKHLHRQCB-LLVKDONJSA-N -1 1 386.847 1.812 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N(C)CCCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575188394 952447748 /nfs/dbraw/zinc/44/77/48/952447748.db2.gz HVHUIKAFGZQHAD-ZDUSSCGKSA-N -1 1 384.444 1.413 20 0 GDADMM C[C@H](Cc1ccccc1F)C(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001575189820 952458622 /nfs/dbraw/zinc/45/86/22/952458622.db2.gz QUOGAKHQEIHDHT-GFCCVEGCSA-N -1 1 384.419 1.545 20 0 GDADMM C[C@H](Cc1ccccc1F)C(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001575189820 952458628 /nfs/dbraw/zinc/45/86/28/952458628.db2.gz QUOGAKHQEIHDHT-GFCCVEGCSA-N -1 1 384.419 1.545 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCC1 ZINC001575195433 952472273 /nfs/dbraw/zinc/47/22/73/952472273.db2.gz AYVZVDRVWANVND-GFCCVEGCSA-N -1 1 382.428 1.579 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCC1 ZINC001575195433 952472275 /nfs/dbraw/zinc/47/22/75/952472275.db2.gz AYVZVDRVWANVND-GFCCVEGCSA-N -1 1 382.428 1.579 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001575196166 952474583 /nfs/dbraw/zinc/47/45/83/952474583.db2.gz DXIBIRUWDCUESX-VNHYZAJKSA-N -1 1 394.439 1.166 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NCCN(c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001575196208 952474669 /nfs/dbraw/zinc/47/46/69/952474669.db2.gz FMRGSXSOTHRBNZ-LBPRGKRZSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NCCN(c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001575196208 952474672 /nfs/dbraw/zinc/47/46/72/952474672.db2.gz FMRGSXSOTHRBNZ-LBPRGKRZSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575197089 952479117 /nfs/dbraw/zinc/47/91/17/952479117.db2.gz MYUIECDHDUUQEV-QWHCGFSZSA-N -1 1 382.428 1.071 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575197089 952479121 /nfs/dbraw/zinc/47/91/21/952479121.db2.gz MYUIECDHDUUQEV-QWHCGFSZSA-N -1 1 382.428 1.071 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575197122 952479643 /nfs/dbraw/zinc/47/96/43/952479643.db2.gz NRBKMPYBAWGXLB-SGTLLEGYSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575197122 952479646 /nfs/dbraw/zinc/47/96/46/952479646.db2.gz NRBKMPYBAWGXLB-SGTLLEGYSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575197373 952483117 /nfs/dbraw/zinc/48/31/17/952483117.db2.gz VBCVCNGXMAFTSL-JHJVBQTASA-N -1 1 382.428 1.435 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575197373 952483120 /nfs/dbraw/zinc/48/31/20/952483120.db2.gz VBCVCNGXMAFTSL-JHJVBQTASA-N -1 1 382.428 1.435 20 0 GDADMM Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001571120895 952512153 /nfs/dbraw/zinc/51/21/53/952512153.db2.gz SSBFQOUABFIPNJ-GASCZTMLSA-N -1 1 376.424 1.459 20 0 GDADMM Cc1nsc(N[C@H]2CCN(C(=O)c3cncs3)[C@H]2C)c1-c1nn[n-]n1 ZINC001571121898 952521990 /nfs/dbraw/zinc/52/19/90/952521990.db2.gz DLAWRCWPVWGTIC-IUCAKERBSA-N -1 1 376.471 1.803 20 0 GDADMM Cc1nsc(NC[C@]2(C)CCN(C(=O)[C@@H]3CCCO3)C2)c1-c1nn[n-]n1 ZINC001571127853 952560711 /nfs/dbraw/zinc/56/07/11/952560711.db2.gz KRQYEDGBSZCVGB-ZBEGNZNMSA-N -1 1 377.474 1.461 20 0 GDADMM O=C(N[C@@H]1[C@H]2CN(c3nc(Cl)c(-c4nnn[n-]4)s3)C[C@H]21)c1ccco1 ZINC001571128034 952562533 /nfs/dbraw/zinc/56/25/33/952562533.db2.gz NVWXJWWVTGLFHD-QMSLJYSESA-N -1 1 377.817 1.434 20 0 GDADMM O=C(N[C@@H]1[C@H]2CN(c3nc(Cl)c(-c4nn[n-]n4)s3)C[C@H]21)c1ccco1 ZINC001571128034 952562535 /nfs/dbraw/zinc/56/25/35/952562535.db2.gz NVWXJWWVTGLFHD-QMSLJYSESA-N -1 1 377.817 1.434 20 0 GDADMM CO[C@@H](C)C(=O)N1CC[C@]2(CCN(c3snc(C)c3-c3nn[n-]n3)C2)C1 ZINC001571128071 952563145 /nfs/dbraw/zinc/56/31/45/952563145.db2.gz ONTHLXNXFGOMPQ-ZBEGNZNMSA-N -1 1 377.474 1.095 20 0 GDADMM CO[C@@H](C)C(=O)N1CC[C@@]2(CCN(c3snc(C)c3-c3nn[n-]n3)C2)C1 ZINC001571128070 952563727 /nfs/dbraw/zinc/56/37/27/952563727.db2.gz ONTHLXNXFGOMPQ-MEDUHNTESA-N -1 1 377.474 1.095 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NCC1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575215027 952567884 /nfs/dbraw/zinc/56/78/84/952567884.db2.gz RYHGOCUXXJDSIY-UHFFFAOYSA-N -1 1 380.403 1.645 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NCC1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575215027 952567888 /nfs/dbraw/zinc/56/78/88/952567888.db2.gz RYHGOCUXXJDSIY-UHFFFAOYSA-N -1 1 380.403 1.645 20 0 GDADMM Cc1nsc(NC2CCN(C(=O)[C@@H]3C[C@@H](C)CO3)CC2)c1-c1nn[n-]n1 ZINC001571128572 952568877 /nfs/dbraw/zinc/56/88/77/952568877.db2.gz UVODYFDFJMACKS-SKDRFNHKSA-N -1 1 377.474 1.460 20 0 GDADMM O=C([C@H]1CCCCC1(F)F)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571129341 952574226 /nfs/dbraw/zinc/57/42/26/952574226.db2.gz CQDIVUVDRMCTDU-GHMZBOCLSA-N -1 1 378.387 1.495 20 0 GDADMM O=C([C@H]1CCCCC1(F)F)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571129341 952574229 /nfs/dbraw/zinc/57/42/29/952574229.db2.gz CQDIVUVDRMCTDU-GHMZBOCLSA-N -1 1 378.387 1.495 20 0 GDADMM Cc1nsc(NC(=O)Cc2ccccc2S(C)(=O)=O)c1-c1nnn[n-]1 ZINC001571134076 952585193 /nfs/dbraw/zinc/58/51/93/952585193.db2.gz ACASXCASQSHNNW-UHFFFAOYSA-N -1 1 378.439 1.216 20 0 GDADMM Cc1nsc(NC(=O)Cc2ccccc2S(C)(=O)=O)c1-c1nn[n-]n1 ZINC001571134076 952585195 /nfs/dbraw/zinc/58/51/95/952585195.db2.gz ACASXCASQSHNNW-UHFFFAOYSA-N -1 1 378.439 1.216 20 0 GDADMM Cc1cc(C)cc(C(=O)N(C)[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571134211 952587108 /nfs/dbraw/zinc/58/71/08/952587108.db2.gz BXZXUOXYMGDJJI-HNNXBMFYSA-N -1 1 378.440 1.624 20 0 GDADMM Cc1cc(C)cc(C(=O)N(C)[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571134211 952587112 /nfs/dbraw/zinc/58/71/12/952587112.db2.gz BXZXUOXYMGDJJI-HNNXBMFYSA-N -1 1 378.440 1.624 20 0 GDADMM Cc1ccccc1C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC001571134202 952587545 /nfs/dbraw/zinc/58/75/45/952587545.db2.gz GDCFBPOMZWHCIE-HIFRSBDPSA-N -1 1 378.440 1.752 20 0 GDADMM Cc1ccccc1C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C ZINC001571134202 952587550 /nfs/dbraw/zinc/58/75/50/952587550.db2.gz GDCFBPOMZWHCIE-HIFRSBDPSA-N -1 1 378.440 1.752 20 0 GDADMM CCc1cccc(CC(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571134382 952589512 /nfs/dbraw/zinc/58/95/12/952589512.db2.gz FGJWHALDHZWMFR-GASCZTMLSA-N -1 1 378.440 1.521 20 0 GDADMM CCc1cccc(CC(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571134382 952589518 /nfs/dbraw/zinc/58/95/18/952589518.db2.gz FGJWHALDHZWMFR-GASCZTMLSA-N -1 1 378.440 1.521 20 0 GDADMM CCc1ccccc1C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001571134419 952590339 /nfs/dbraw/zinc/59/03/39/952590339.db2.gz FWLMDADAAFRJLI-WFASDCNBSA-N -1 1 378.440 1.934 20 0 GDADMM CCc1ccccc1C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001571134419 952590344 /nfs/dbraw/zinc/59/03/44/952590344.db2.gz FWLMDADAAFRJLI-WFASDCNBSA-N -1 1 378.440 1.934 20 0 GDADMM Cc1ccc(CC(=O)N2CCC[C@H]2CNc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001571134917 952597213 /nfs/dbraw/zinc/59/72/13/952597213.db2.gz OUFRESNOYAIKPQ-HNNXBMFYSA-N -1 1 378.440 1.611 20 0 GDADMM Cc1ccc(CC(=O)N2CCC[C@H]2CNc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001571134917 952597218 /nfs/dbraw/zinc/59/72/18/952597218.db2.gz OUFRESNOYAIKPQ-HNNXBMFYSA-N -1 1 378.440 1.611 20 0 GDADMM Cc1ccccc1CC(=O)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571134937 952597537 /nfs/dbraw/zinc/59/75/37/952597537.db2.gz OZBPUNKZMZWNKV-UHFFFAOYSA-N -1 1 378.440 1.247 20 0 GDADMM Cc1ccccc1CC(=O)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571134937 952597539 /nfs/dbraw/zinc/59/75/39/952597539.db2.gz OZBPUNKZMZWNKV-UHFFFAOYSA-N -1 1 378.440 1.247 20 0 GDADMM Cc1cccc(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)c1C ZINC001571135040 952598336 /nfs/dbraw/zinc/59/83/36/952598336.db2.gz QMVNFOMTRVICBM-CQSZACIVSA-N -1 1 378.440 1.672 20 0 GDADMM Cc1cccc(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)c1C ZINC001571135040 952598342 /nfs/dbraw/zinc/59/83/42/952598342.db2.gz QMVNFOMTRVICBM-CQSZACIVSA-N -1 1 378.440 1.672 20 0 GDADMM Cc1cccc(C(=O)NC[C@H]2C[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)c1 ZINC001571135034 952598481 /nfs/dbraw/zinc/59/84/81/952598481.db2.gz QKGPNOCOTRJCAC-CTYIDZIISA-N -1 1 378.440 1.894 20 0 GDADMM Cc1cccc(C(=O)NC[C@H]2C[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)c1 ZINC001571135034 952598486 /nfs/dbraw/zinc/59/84/86/952598486.db2.gz QKGPNOCOTRJCAC-CTYIDZIISA-N -1 1 378.440 1.894 20 0 GDADMM CC(C)C(=O)N1C[C@@H](c2ccccc2)[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571135337 952602918 /nfs/dbraw/zinc/60/29/18/952602918.db2.gz UKKCVUMRENZJMB-GOEBONIOSA-N -1 1 378.440 1.719 20 0 GDADMM CC(C)C(=O)N1C[C@@H](c2ccccc2)[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571135337 952602923 /nfs/dbraw/zinc/60/29/23/952602923.db2.gz UKKCVUMRENZJMB-GOEBONIOSA-N -1 1 378.440 1.719 20 0 GDADMM Cc1cccc(C)c1C(=O)N1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571135385 952603832 /nfs/dbraw/zinc/60/38/32/952603832.db2.gz WNHFPKFHWMCSHR-AWEZNQCLSA-N -1 1 378.440 1.848 20 0 GDADMM Cc1cccc(C)c1C(=O)N1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571135385 952603835 /nfs/dbraw/zinc/60/38/35/952603835.db2.gz WNHFPKFHWMCSHR-AWEZNQCLSA-N -1 1 378.440 1.848 20 0 GDADMM O=C(Cc1ccccc1)N[C@@H]1CCCC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571140473 952625694 /nfs/dbraw/zinc/62/56/94/952625694.db2.gz AEBUFKHSHHTDQK-HUUCEWRRSA-N -1 1 378.440 1.739 20 0 GDADMM O=C(Cc1ccccc1)N[C@@H]1CCCC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571140473 952625696 /nfs/dbraw/zinc/62/56/96/952625696.db2.gz AEBUFKHSHHTDQK-HUUCEWRRSA-N -1 1 378.440 1.739 20 0 GDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1CCOC[C@@H]1C[C@@H]1CCOC1 ZINC001571141533 952633592 /nfs/dbraw/zinc/63/35/92/952633592.db2.gz HZGWKIYYARGESX-RYUDHWBXSA-N -1 1 378.458 1.265 20 0 GDADMM CCc1cccc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@H]2C)n1 ZINC001571146659 952651625 /nfs/dbraw/zinc/65/16/25/952651625.db2.gz AEJOKHYBJGELBM-YPMHNXCESA-N -1 1 379.428 1.329 20 0 GDADMM CCc1cccc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@H]2C)n1 ZINC001571146659 952651626 /nfs/dbraw/zinc/65/16/26/952651626.db2.gz AEJOKHYBJGELBM-YPMHNXCESA-N -1 1 379.428 1.329 20 0 GDADMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC001571147131 952657766 /nfs/dbraw/zinc/65/77/66/952657766.db2.gz GXJRRPCLZFXEHU-GXTWGEPZSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC001571147131 952657772 /nfs/dbraw/zinc/65/77/72/952657772.db2.gz GXJRRPCLZFXEHU-GXTWGEPZSA-N -1 1 379.428 1.405 20 0 GDADMM CC[C@H]1CN(C(=O)c2ccccn2)CC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571147763 952663735 /nfs/dbraw/zinc/66/37/35/952663735.db2.gz PPAHRHMCMAWOEF-QWHCGFSZSA-N -1 1 379.428 1.405 20 0 GDADMM CC[C@H]1CN(C(=O)c2ccccn2)CC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571147763 952663738 /nfs/dbraw/zinc/66/37/38/952663738.db2.gz PPAHRHMCMAWOEF-QWHCGFSZSA-N -1 1 379.428 1.405 20 0 GDADMM CO[C@H](C(=O)N1CC[C@@H](N(C)c2snc(C)c2-c2nn[n-]n2)C1)C(C)C ZINC001571152661 952683382 /nfs/dbraw/zinc/68/33/82/952683382.db2.gz JJAWURUJPRUNAS-YPMHNXCESA-N -1 1 379.490 1.340 20 0 GDADMM CO[C@H](C)C(=O)N1CCC[C@@H](CCNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571153658 952687780 /nfs/dbraw/zinc/68/77/80/952687780.db2.gz SULNTBGTTCFPAJ-NEPJUHHUSA-N -1 1 379.490 1.707 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)[C@H]1Cc2ccc(F)cc21 ZINC001571154985 952690429 /nfs/dbraw/zinc/69/04/29/952690429.db2.gz DBYADPFWKBSUDQ-OBJOEFQTSA-N -1 1 380.387 1.195 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)[C@H]1Cc2ccc(F)cc21 ZINC001571154985 952690439 /nfs/dbraw/zinc/69/04/39/952690439.db2.gz DBYADPFWKBSUDQ-OBJOEFQTSA-N -1 1 380.387 1.195 20 0 GDADMM CN(c1ncccc1-c1nn[nH]n1)[C@@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001571155042 952691724 /nfs/dbraw/zinc/69/17/24/952691724.db2.gz FNLFEVGTQYTQPU-GFCCVEGCSA-N -1 1 380.412 1.103 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C(C)(F)F)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571155331 952695579 /nfs/dbraw/zinc/69/55/79/952695579.db2.gz OGTWENVIYGEBCK-KOLCDFICSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C(C)(F)F)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571155331 952695582 /nfs/dbraw/zinc/69/55/82/952695582.db2.gz OGTWENVIYGEBCK-KOLCDFICSA-N -1 1 380.403 1.597 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccco2)n1 ZINC001571155381 952695680 /nfs/dbraw/zinc/69/56/80/952695680.db2.gz PZPVCKRCDXWDDM-TXEJJXNPSA-N -1 1 380.412 1.306 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccco2)n1 ZINC001571155381 952695685 /nfs/dbraw/zinc/69/56/85/952695685.db2.gz PZPVCKRCDXWDDM-TXEJJXNPSA-N -1 1 380.412 1.306 20 0 GDADMM CCOc1ccccc1C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571155508 952698195 /nfs/dbraw/zinc/69/81/95/952698195.db2.gz UWVQZRWALGCMOW-LBPRGKRZSA-N -1 1 380.412 1.382 20 0 GDADMM CCOc1ccccc1C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571155508 952698197 /nfs/dbraw/zinc/69/81/97/952698197.db2.gz UWVQZRWALGCMOW-LBPRGKRZSA-N -1 1 380.412 1.382 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CN(C(=O)CC(C)(F)F)C[C@@H]2C)n1 ZINC001571155578 952699124 /nfs/dbraw/zinc/69/91/24/952699124.db2.gz XIGAYVVDJCINKS-GXSJLCMTSA-N -1 1 380.403 1.517 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CN(C(=O)CC(C)(F)F)C[C@@H]2C)n1 ZINC001571155578 952699128 /nfs/dbraw/zinc/69/91/28/952699128.db2.gz XIGAYVVDJCINKS-GXSJLCMTSA-N -1 1 380.403 1.517 20 0 GDADMM Cc1cc(C)c(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c(C)n1 ZINC001571156804 952704941 /nfs/dbraw/zinc/70/49/41/952704941.db2.gz JYKBYOIVAGEBAT-CYBMUJFWSA-N -1 1 379.428 1.304 20 0 GDADMM Cc1cc(C)c(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c(C)n1 ZINC001571156804 952704945 /nfs/dbraw/zinc/70/49/45/952704945.db2.gz JYKBYOIVAGEBAT-CYBMUJFWSA-N -1 1 379.428 1.304 20 0 GDADMM Cc1cccnc1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C ZINC001571158030 952708760 /nfs/dbraw/zinc/70/87/60/952708760.db2.gz QADDNCYIRBRYCK-GFCCVEGCSA-N -1 1 379.428 1.005 20 0 GDADMM Cc1ccc([C@@H](C)C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(-c3nn[n-]n3)n2)o1 ZINC001571158943 952715985 /nfs/dbraw/zinc/71/59/85/952715985.db2.gz NVUMJQZOGCVBGP-AGIUHOORSA-N -1 1 380.412 1.151 20 0 GDADMM Cc1cnccc1C(=O)N[C@@H]1CC[C@@H](C)N(c2nccnc2-c2nnn[n-]2)C1 ZINC001571158921 952716064 /nfs/dbraw/zinc/71/60/64/952716064.db2.gz UKPUBYQUXRPHIR-CHWSQXEVSA-N -1 1 379.428 1.147 20 0 GDADMM Cc1cnccc1C(=O)N[C@@H]1CC[C@@H](C)N(c2nccnc2-c2nn[n-]n2)C1 ZINC001571158921 952716068 /nfs/dbraw/zinc/71/60/68/952716068.db2.gz UKPUBYQUXRPHIR-CHWSQXEVSA-N -1 1 379.428 1.147 20 0 GDADMM Cc1cc(C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C23CCC3)co1 ZINC001571159524 952719830 /nfs/dbraw/zinc/71/98/30/952719830.db2.gz XHDSUVCOSYESFA-KGLIPLIRSA-N -1 1 380.412 1.711 20 0 GDADMM Cc1cc(C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C23CCC3)co1 ZINC001571159524 952719833 /nfs/dbraw/zinc/71/98/33/952719833.db2.gz XHDSUVCOSYESFA-KGLIPLIRSA-N -1 1 380.412 1.711 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)c3occ4c3CCC4)C2)n1 ZINC001571159686 952721247 /nfs/dbraw/zinc/72/12/47/952721247.db2.gz ZDRJRBTYKUOLOD-GFCCVEGCSA-N -1 1 380.412 1.373 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)c3occ4c3CCC4)C2)n1 ZINC001571159686 952721250 /nfs/dbraw/zinc/72/12/50/952721250.db2.gz ZDRJRBTYKUOLOD-GFCCVEGCSA-N -1 1 380.412 1.373 20 0 GDADMM Cc1ccncc1C(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571159727 952721558 /nfs/dbraw/zinc/72/15/58/952721558.db2.gz VWEZBUKTTZPWFC-QWHCGFSZSA-N -1 1 379.428 1.371 20 0 GDADMM Cc1ccncc1C(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571159727 952721562 /nfs/dbraw/zinc/72/15/62/952721562.db2.gz VWEZBUKTTZPWFC-QWHCGFSZSA-N -1 1 379.428 1.371 20 0 GDADMM Cc1cc(C)nc(C(=O)N2C[C@@H](C)[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571159704 952721795 /nfs/dbraw/zinc/72/17/95/952721795.db2.gz VVHTTWVFBSNGSM-ABAIWWIYSA-N -1 1 379.428 1.241 20 0 GDADMM Cc1cc(C)nc(C(=O)N2C[C@@H](C)[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571159704 952721799 /nfs/dbraw/zinc/72/17/99/952721799.db2.gz VVHTTWVFBSNGSM-ABAIWWIYSA-N -1 1 379.428 1.241 20 0 GDADMM Cc1cccnc1C(=O)N[C@@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571159778 952721808 /nfs/dbraw/zinc/72/18/08/952721808.db2.gz WONAPCHWADWWKA-QWHCGFSZSA-N -1 1 379.428 1.371 20 0 GDADMM Cc1cccnc1C(=O)N[C@@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571159778 952721813 /nfs/dbraw/zinc/72/18/13/952721813.db2.gz WONAPCHWADWWKA-QWHCGFSZSA-N -1 1 379.428 1.371 20 0 GDADMM Cc1ccoc1C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001571160010 952723421 /nfs/dbraw/zinc/72/34/21/952723421.db2.gz AMSKKTYCTWWXHV-AVGNSLFASA-N -1 1 380.412 1.345 20 0 GDADMM Cc1ccoc1C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001571160010 952723425 /nfs/dbraw/zinc/72/34/25/952723425.db2.gz AMSKKTYCTWWXHV-AVGNSLFASA-N -1 1 380.412 1.345 20 0 GDADMM Cc1coc(C)c1C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001571161246 952731662 /nfs/dbraw/zinc/73/16/62/952731662.db2.gz SNTGZSLBEQOFOX-BETUJISGSA-N -1 1 380.412 1.075 20 0 GDADMM Cc1coc(C)c1C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001571161246 952731666 /nfs/dbraw/zinc/73/16/66/952731666.db2.gz SNTGZSLBEQOFOX-BETUJISGSA-N -1 1 380.412 1.075 20 0 GDADMM C[C@@]12CN(C(=O)[C@@H]3CC34CC4)C[C@]1(C)CN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001571170851 952789274 /nfs/dbraw/zinc/78/92/74/952789274.db2.gz XTCPPOVSFKICRS-UYHISHBKSA-N -1 1 380.456 1.132 20 0 GDADMM O=C(C1CCC2(CC2)CC1)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1 ZINC001571171483 952792446 /nfs/dbraw/zinc/79/24/46/952792446.db2.gz ABKQHTDDWMWRTE-KBPBESRZSA-N -1 1 380.456 1.417 20 0 GDADMM O=C(C1CCC2(CC2)CC1)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1 ZINC001571171483 952792451 /nfs/dbraw/zinc/79/24/51/952792451.db2.gz ABKQHTDDWMWRTE-KBPBESRZSA-N -1 1 380.456 1.417 20 0 GDADMM C[C@H]1[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCN1C(=O)c1ccon1 ZINC001571171540 952793484 /nfs/dbraw/zinc/79/34/84/952793484.db2.gz BRXVPYIISGQILV-BQBZGAKWSA-N -1 1 380.821 1.680 20 0 GDADMM C[C@H]1[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCN1C(=O)c1ccon1 ZINC001571171540 952793488 /nfs/dbraw/zinc/79/34/88/952793488.db2.gz BRXVPYIISGQILV-BQBZGAKWSA-N -1 1 380.821 1.680 20 0 GDADMM O=C(NC[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1)c1cocn1 ZINC001571172338 952805031 /nfs/dbraw/zinc/80/50/31/952805031.db2.gz SSZOUFMIDCAYCW-ZETCQYMHSA-N -1 1 380.821 1.221 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H](Nc3nc(-c4nn[n-]n4)c(Cl)s3)C2)on1 ZINC001571172550 952808075 /nfs/dbraw/zinc/80/80/75/952808075.db2.gz WYOJDUJAOLOQMU-ZETCQYMHSA-N -1 1 380.821 1.600 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)c3cnoc3C3CC3)C2)n1 ZINC001571175102 952818534 /nfs/dbraw/zinc/81/85/34/952818534.db2.gz PJMDKJXKPVBAEA-NSHDSACASA-N -1 1 381.400 1.157 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)c3cnoc3C3CC3)C2)n1 ZINC001571175102 952818538 /nfs/dbraw/zinc/81/85/38/952818538.db2.gz PJMDKJXKPVBAEA-NSHDSACASA-N -1 1 381.400 1.157 20 0 GDADMM CCc1[nH]ccc1C(=O)N[C@H]1CC[C@H](C)N(c2nccnc2-c2nnn[n-]2)C1 ZINC001571183447 952878800 /nfs/dbraw/zinc/87/88/00/952878800.db2.gz AIGQVJDZXRLCMM-RYUDHWBXSA-N -1 1 381.444 1.335 20 0 GDADMM CCc1[nH]ccc1C(=O)N[C@H]1CC[C@H](C)N(c2nccnc2-c2nn[n-]n2)C1 ZINC001571183447 952878803 /nfs/dbraw/zinc/87/88/03/952878803.db2.gz AIGQVJDZXRLCMM-RYUDHWBXSA-N -1 1 381.444 1.335 20 0 GDADMM CCc1nc(NC[C@H]2CN(C(=O)c3ccc[nH]3)C[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571183605 952881154 /nfs/dbraw/zinc/88/11/54/952881154.db2.gz FLVRKBOMMAOXGS-RYUDHWBXSA-N -1 1 381.444 1.367 20 0 GDADMM CCc1nc(NC[C@H]2CN(C(=O)c3ccc[nH]3)C[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571183605 952881156 /nfs/dbraw/zinc/88/11/56/952881156.db2.gz FLVRKBOMMAOXGS-RYUDHWBXSA-N -1 1 381.444 1.367 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001571184189 952889122 /nfs/dbraw/zinc/88/91/22/952889122.db2.gz SUZDNLDOADTQGJ-KGLIPLIRSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001571184189 952889126 /nfs/dbraw/zinc/88/91/26/952889126.db2.gz SUZDNLDOADTQGJ-KGLIPLIRSA-N -1 1 381.444 1.370 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CCC[C@@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571185238 952901371 /nfs/dbraw/zinc/90/13/71/952901371.db2.gz JXYBSYOYZRGTQP-DGCLKSJQSA-N -1 1 381.444 1.646 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CCC[C@@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571185238 952901374 /nfs/dbraw/zinc/90/13/74/952901374.db2.gz JXYBSYOYZRGTQP-DGCLKSJQSA-N -1 1 381.444 1.646 20 0 GDADMM CCn1ccc(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)c1C ZINC001571185745 952902793 /nfs/dbraw/zinc/90/27/93/952902793.db2.gz PCQJPWOFGBIORN-JOCQHMNTSA-N -1 1 381.444 1.407 20 0 GDADMM CCn1ccc(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)c1C ZINC001571185745 952902795 /nfs/dbraw/zinc/90/27/95/952902795.db2.gz PCQJPWOFGBIORN-JOCQHMNTSA-N -1 1 381.444 1.407 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](NC(=O)Cc3ccc[nH]3)CC[C@@H]2C)n1 ZINC001571186147 952905339 /nfs/dbraw/zinc/90/53/39/952905339.db2.gz UHMAJNDOUKXQFV-JSGCOSHPSA-N -1 1 381.444 1.009 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](NC(=O)Cc3ccc[nH]3)CC[C@@H]2C)n1 ZINC001571186147 952905347 /nfs/dbraw/zinc/90/53/47/952905347.db2.gz UHMAJNDOUKXQFV-JSGCOSHPSA-N -1 1 381.444 1.009 20 0 GDADMM Cc1cc[nH]c1C(=O)N[C@H](C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571188161 952912798 /nfs/dbraw/zinc/91/27/98/952912798.db2.gz HCLJEVYOXYOLOO-GFCCVEGCSA-N -1 1 381.444 1.328 20 0 GDADMM Cc1cc[nH]c1C(=O)N[C@H](C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571188161 952912800 /nfs/dbraw/zinc/91/28/00/952912800.db2.gz HCLJEVYOXYOLOO-GFCCVEGCSA-N -1 1 381.444 1.328 20 0 GDADMM Cn1cccc1C(=O)NC[C@@H]1CCCCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571189304 952928464 /nfs/dbraw/zinc/92/84/64/952928464.db2.gz PJEINTSVGYXRIQ-ZDUSSCGKSA-N -1 1 381.444 1.174 20 0 GDADMM Cc1cc(C(=O)N2CCC(CNc3cncc(-c4nnn[n-]4)n3)CC2)c(C)[nH]1 ZINC001571189537 952931008 /nfs/dbraw/zinc/93/10/08/952931008.db2.gz WYTKSFMKAGSISJ-UHFFFAOYSA-N -1 1 381.444 1.566 20 0 GDADMM Cc1cc(C(=O)N2CCC(CNc3cncc(-c4nn[n-]n4)n3)CC2)c(C)[nH]1 ZINC001571189537 952931013 /nfs/dbraw/zinc/93/10/13/952931013.db2.gz WYTKSFMKAGSISJ-UHFFFAOYSA-N -1 1 381.444 1.566 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)ccc1F ZINC001571195549 952976875 /nfs/dbraw/zinc/97/68/75/952976875.db2.gz BQRRNFIQXXRSDV-CYBMUJFWSA-N -1 1 382.403 1.243 20 0 GDADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@H]1CCN(C(=O)c2ccc(CF)cc2)C1 ZINC001571196073 952979956 /nfs/dbraw/zinc/97/99/56/952979956.db2.gz HDNGUGAGKUXIRZ-AWEZNQCLSA-N -1 1 382.403 1.477 20 0 GDADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)c2ccc(CF)cc2)C1 ZINC001571196073 952979963 /nfs/dbraw/zinc/97/99/63/952979963.db2.gz HDNGUGAGKUXIRZ-AWEZNQCLSA-N -1 1 382.403 1.477 20 0 GDADMM C[C@@H]1CC[C@@H](NC(=O)c2ccccc2F)CN1c1cncc(-c2nnn[n-]2)n1 ZINC001571196045 952980453 /nfs/dbraw/zinc/98/04/53/952980453.db2.gz GWNKYYAKZRCVQA-VXGBXAGGSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@@H]1CC[C@@H](NC(=O)c2ccccc2F)CN1c1cncc(-c2nn[n-]n2)n1 ZINC001571196045 952980456 /nfs/dbraw/zinc/98/04/56/952980456.db2.gz GWNKYYAKZRCVQA-VXGBXAGGSA-N -1 1 382.403 1.583 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)ccc1F ZINC001571196707 952983227 /nfs/dbraw/zinc/98/32/27/952983227.db2.gz MRJJOTKCZHBEHP-GFCCVEGCSA-N -1 1 382.403 1.678 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)ccc1F ZINC001571196707 952983230 /nfs/dbraw/zinc/98/32/30/952983230.db2.gz MRJJOTKCZHBEHP-GFCCVEGCSA-N -1 1 382.403 1.678 20 0 GDADMM Cc1occc1C(=O)NC1(C)CCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001571198851 952994069 /nfs/dbraw/zinc/99/40/69/952994069.db2.gz HLXJSVOICCWHSJ-UHFFFAOYSA-N -1 1 382.428 1.655 20 0 GDADMM Cc1occc1C(=O)NC1(C)CCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001571198851 952994073 /nfs/dbraw/zinc/99/40/73/952994073.db2.gz HLXJSVOICCWHSJ-UHFFFAOYSA-N -1 1 382.428 1.655 20 0 GDADMM CC(C)c1occc1C(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)[C@@H](C)C1 ZINC001571199929 953005408 /nfs/dbraw/zinc/00/54/08/953005408.db2.gz CWYOKZBFMHVLQY-FZMZJTMJSA-N -1 1 382.428 1.946 20 0 GDADMM CC(C)c1occc1C(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)[C@@H](C)C1 ZINC001571199929 953005409 /nfs/dbraw/zinc/00/54/09/953005409.db2.gz CWYOKZBFMHVLQY-FZMZJTMJSA-N -1 1 382.428 1.946 20 0 GDADMM O=C(c1ccc(CF)cc1)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571200007 953006777 /nfs/dbraw/zinc/00/67/77/953006777.db2.gz GZPOSBQWIPZNDG-AWEZNQCLSA-N -1 1 382.403 1.843 20 0 GDADMM O=C(c1ccc(CF)cc1)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571200007 953006779 /nfs/dbraw/zinc/00/67/79/953006779.db2.gz GZPOSBQWIPZNDG-AWEZNQCLSA-N -1 1 382.403 1.843 20 0 GDADMM C[C@H](Nc1nccnc1-c1nnn[n-]1)[C@H]1CCCCN1C(=O)Cc1ccoc1 ZINC001571200302 953007980 /nfs/dbraw/zinc/00/79/80/953007980.db2.gz HIPMGSMPQPLIFS-GXTWGEPZSA-N -1 1 382.428 1.674 20 0 GDADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)[C@H]1CCCCN1C(=O)Cc1ccoc1 ZINC001571200302 953007983 /nfs/dbraw/zinc/00/79/83/953007983.db2.gz HIPMGSMPQPLIFS-GXTWGEPZSA-N -1 1 382.428 1.674 20 0 GDADMM O=C(N[C@@H]1CCCC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1)c1ccc(F)cc1 ZINC001571200358 953009040 /nfs/dbraw/zinc/00/90/40/953009040.db2.gz HXPFIJJORUSAEF-ZIAGYGMSSA-N -1 1 382.403 1.949 20 0 GDADMM O=C(N[C@@H]1CCCC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1)c1ccc(F)cc1 ZINC001571200358 953009046 /nfs/dbraw/zinc/00/90/46/953009046.db2.gz HXPFIJJORUSAEF-ZIAGYGMSSA-N -1 1 382.403 1.949 20 0 GDADMM CC[C@@H]1CN(C(=O)c2ccoc2C)CC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571201107 953015183 /nfs/dbraw/zinc/01/51/83/953015183.db2.gz MQQZPMMGKCHRBZ-TZMCWYRMSA-N -1 1 382.428 1.911 20 0 GDADMM CC[C@@H]1CN(C(=O)c2ccoc2C)CC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571201107 953015186 /nfs/dbraw/zinc/01/51/86/953015186.db2.gz MQQZPMMGKCHRBZ-TZMCWYRMSA-N -1 1 382.428 1.911 20 0 GDADMM O=C(c1cccc(F)c1)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571201402 953017976 /nfs/dbraw/zinc/01/79/76/953017976.db2.gz PTOGWHCTWBBQEG-UHFFFAOYSA-N -1 1 382.403 1.182 20 0 GDADMM CCCc1occc1C(=O)NC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571201548 953018337 /nfs/dbraw/zinc/01/83/37/953018337.db2.gz RJOZUJMXKRRFIX-LBPRGKRZSA-N -1 1 382.428 1.601 20 0 GDADMM CCCc1occc1C(=O)NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571201548 953018339 /nfs/dbraw/zinc/01/83/39/953018339.db2.gz RJOZUJMXKRRFIX-LBPRGKRZSA-N -1 1 382.428 1.601 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)Cc3ccco3)[C@@H](C)C2)n1 ZINC001571201736 953019274 /nfs/dbraw/zinc/01/92/74/953019274.db2.gz NSSIBEYAIFPWQJ-QWHCGFSZSA-N -1 1 382.428 1.592 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)Cc3ccco3)[C@@H](C)C2)n1 ZINC001571201736 953019279 /nfs/dbraw/zinc/01/92/79/953019279.db2.gz NSSIBEYAIFPWQJ-QWHCGFSZSA-N -1 1 382.428 1.592 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)Cc3ccoc3)C[C@H]2C)n1 ZINC001571202040 953021950 /nfs/dbraw/zinc/02/19/50/953021950.db2.gz QHFRGHXKIBJTOU-BXUZGUMPSA-N -1 1 382.428 1.450 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)Cc3ccoc3)C[C@H]2C)n1 ZINC001571202040 953021952 /nfs/dbraw/zinc/02/19/52/953021952.db2.gz QHFRGHXKIBJTOU-BXUZGUMPSA-N -1 1 382.428 1.450 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571202032 953022328 /nfs/dbraw/zinc/02/23/28/953022328.db2.gz UPSAFUWFXYAXSM-LBPRGKRZSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571202032 953022333 /nfs/dbraw/zinc/02/23/33/953022333.db2.gz UPSAFUWFXYAXSM-LBPRGKRZSA-N -1 1 382.428 1.531 20 0 GDADMM Cc1cc(C(=O)NC[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)c(C)o1 ZINC001571202166 953023159 /nfs/dbraw/zinc/02/31/59/953023159.db2.gz RIHMHLPHVMZPPX-CYBMUJFWSA-N -1 1 382.428 1.513 20 0 GDADMM Cc1cc(C(=O)NC[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)c(C)o1 ZINC001571202166 953023161 /nfs/dbraw/zinc/02/31/61/953023161.db2.gz RIHMHLPHVMZPPX-CYBMUJFWSA-N -1 1 382.428 1.513 20 0 GDADMM CCn1ccnc1C(=O)N[C@H]1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571206086 953047518 /nfs/dbraw/zinc/04/75/18/953047518.db2.gz CYILMTGAUKDBBB-RYUDHWBXSA-N -1 1 382.432 1.026 20 0 GDADMM CCn1ccnc1C(=O)N[C@H]1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571206086 953047521 /nfs/dbraw/zinc/04/75/21/953047521.db2.gz CYILMTGAUKDBBB-RYUDHWBXSA-N -1 1 382.432 1.026 20 0 GDADMM Cc1oc(C)c(C(=O)N2CC[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)c1C ZINC001571206493 953051730 /nfs/dbraw/zinc/05/17/30/953051730.db2.gz QFTLPUCNCUJGRL-ZDUSSCGKSA-N -1 1 382.428 1.749 20 0 GDADMM Cc1oc(C)c(C(=O)N2CC[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)c1C ZINC001571206493 953051734 /nfs/dbraw/zinc/05/17/34/953051734.db2.gz QFTLPUCNCUJGRL-ZDUSSCGKSA-N -1 1 382.428 1.749 20 0 GDADMM CC(C)(C)c1nc[nH]c1C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571207199 953060658 /nfs/dbraw/zinc/06/06/58/953060658.db2.gz WYIWLSUNFNPRMF-JTQLQIEISA-N -1 1 382.432 1.004 20 0 GDADMM Cc1sccc1C(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001571209723 953067095 /nfs/dbraw/zinc/06/70/95/953067095.db2.gz BSPLOVKKAVJODP-TXEJJXNPSA-N -1 1 382.453 1.235 20 0 GDADMM Cc1sccc1C(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001571209723 953067100 /nfs/dbraw/zinc/06/71/00/953067100.db2.gz BSPLOVKKAVJODP-TXEJJXNPSA-N -1 1 382.453 1.235 20 0 GDADMM Cc1ccsc1C(=O)N[C@@H]1[C@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001571210008 953069599 /nfs/dbraw/zinc/06/95/99/953069599.db2.gz LRCCYJMXVHUYKX-PJXYFTJBSA-N -1 1 382.453 1.200 20 0 GDADMM Cc1ccsc1C(=O)N[C@@H]1[C@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571210008 953069603 /nfs/dbraw/zinc/06/96/03/953069603.db2.gz LRCCYJMXVHUYKX-PJXYFTJBSA-N -1 1 382.453 1.200 20 0 GDADMM O=C(c1cccs1)N1CCC[C@@H]2[C@@H]1CCN2c1nccnc1-c1nnn[n-]1 ZINC001571210227 953071333 /nfs/dbraw/zinc/07/13/33/953071333.db2.gz OYYXKYUNNVCCHX-NEPJUHHUSA-N -1 1 382.453 1.602 20 0 GDADMM O=C(c1cccs1)N1CCC[C@@H]2[C@@H]1CCN2c1nccnc1-c1nn[n-]n1 ZINC001571210227 953071334 /nfs/dbraw/zinc/07/13/34/953071334.db2.gz OYYXKYUNNVCCHX-NEPJUHHUSA-N -1 1 382.453 1.602 20 0 GDADMM CN(C[C@H]1CCCN(C(=O)[C@H]2CC23CCC3)C1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571211543 953077979 /nfs/dbraw/zinc/07/79/79/953077979.db2.gz BBWBBDXLKNOTBB-ZIAGYGMSSA-N -1 1 382.472 1.522 20 0 GDADMM CN(C[C@H]1CCCN(C(=O)[C@H]2CC23CCC3)C1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571211543 953077982 /nfs/dbraw/zinc/07/79/82/953077982.db2.gz BBWBBDXLKNOTBB-ZIAGYGMSSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C(=O)N2CCC[C@@H]([C@H]3CCN(c4cncc(-c5nnn[n-]5)n4)C3)C2)CC1 ZINC001571211767 953080624 /nfs/dbraw/zinc/08/06/24/953080624.db2.gz FQPRREFJIAAQHN-KGLIPLIRSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C(=O)N2CCC[C@@H]([C@H]3CCN(c4cncc(-c5nn[n-]n5)n4)C3)C2)CC1 ZINC001571211767 953080629 /nfs/dbraw/zinc/08/06/29/953080629.db2.gz FQPRREFJIAAQHN-KGLIPLIRSA-N -1 1 382.472 1.522 20 0 GDADMM CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)C1CCCC1 ZINC001571211765 953080759 /nfs/dbraw/zinc/08/07/59/953080759.db2.gz FQKRMOLFPJNBBG-WDNDVIMCSA-N -1 1 382.472 1.424 20 0 GDADMM CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)C1CCCC1 ZINC001571211765 953080762 /nfs/dbraw/zinc/08/07/62/953080762.db2.gz FQKRMOLFPJNBBG-WDNDVIMCSA-N -1 1 382.472 1.424 20 0 GDADMM CN(c1nccnc1-c1nnn[n-]1)[C@H]1CCCN(C(=O)C23CCC(CC2)C3)C1 ZINC001571211723 953080855 /nfs/dbraw/zinc/08/08/55/953080855.db2.gz DHUGNCWWKWSBAL-BIWSTMPVSA-N -1 1 382.472 1.664 20 0 GDADMM CN(c1nccnc1-c1nn[n-]n1)[C@H]1CCCN(C(=O)C23CCC(CC2)C3)C1 ZINC001571211723 953080857 /nfs/dbraw/zinc/08/08/57/953080857.db2.gz DHUGNCWWKWSBAL-BIWSTMPVSA-N -1 1 382.472 1.664 20 0 GDADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCN(C(=O)C2(C3CC3)CC2)C1 ZINC001571212051 953083370 /nfs/dbraw/zinc/08/33/70/953083370.db2.gz HXPSBHCWQGJJGU-STQMWFEESA-N -1 1 382.472 1.886 20 0 GDADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCN(C(=O)C2(C3CC3)CC2)C1 ZINC001571212051 953083374 /nfs/dbraw/zinc/08/33/74/953083374.db2.gz HXPSBHCWQGJJGU-STQMWFEESA-N -1 1 382.472 1.886 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001571212223 953086285 /nfs/dbraw/zinc/08/62/85/953086285.db2.gz JMWFOENAEMVYMB-XJFOESAGSA-N -1 1 382.472 1.519 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001571212223 953086288 /nfs/dbraw/zinc/08/62/88/953086288.db2.gz JMWFOENAEMVYMB-XJFOESAGSA-N -1 1 382.472 1.519 20 0 GDADMM CCc1nc(NC[C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2C2CC2)cc(-c2nnn[n-]2)n1 ZINC001571212303 953087380 /nfs/dbraw/zinc/08/73/80/953087380.db2.gz LARDXQGNUMVVQW-MELADBBJSA-N -1 1 382.472 1.668 20 0 GDADMM CCc1nc(NC[C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2C2CC2)cc(-c2nn[n-]n2)n1 ZINC001571212303 953087385 /nfs/dbraw/zinc/08/73/85/953087385.db2.gz LARDXQGNUMVVQW-MELADBBJSA-N -1 1 382.472 1.668 20 0 GDADMM C[C@@H]1C[C@H]1C(=O)N1CCC2(CC1)CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001571212407 953088122 /nfs/dbraw/zinc/08/81/22/953088122.db2.gz LCERVSPKZONHQN-ZIAGYGMSSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H]1C[C@H]1C(=O)N1CCC2(CC1)CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001571212407 953088125 /nfs/dbraw/zinc/08/81/25/953088125.db2.gz LCERVSPKZONHQN-ZIAGYGMSSA-N -1 1 382.472 1.522 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](NC(=O)[C@@]34C[C@@H]3CCCC4)C2)n1 ZINC001571212949 953091541 /nfs/dbraw/zinc/09/15/41/953091541.db2.gz OJSMSVWELVSKQR-KSMMKXTCSA-N -1 1 382.472 1.630 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](NC(=O)[C@@]34C[C@@H]3CCCC4)C2)n1 ZINC001571212949 953091544 /nfs/dbraw/zinc/09/15/44/953091544.db2.gz OJSMSVWELVSKQR-KSMMKXTCSA-N -1 1 382.472 1.630 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2CC3(CCC3)C2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571212963 953091552 /nfs/dbraw/zinc/09/15/52/953091552.db2.gz OMBQXRBZQRLFFM-JSGCOSHPSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2CC3(CCC3)C2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571212963 953091556 /nfs/dbraw/zinc/09/15/56/953091556.db2.gz OMBQXRBZQRLFFM-JSGCOSHPSA-N -1 1 382.472 1.711 20 0 GDADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@H]1CCN(C(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001571213317 953094364 /nfs/dbraw/zinc/09/43/64/953094364.db2.gz RGUZTKSATWXVDK-KGLIPLIRSA-N -1 1 382.472 1.664 20 0 GDADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001571213317 953094371 /nfs/dbraw/zinc/09/43/71/953094371.db2.gz RGUZTKSATWXVDK-KGLIPLIRSA-N -1 1 382.472 1.664 20 0 GDADMM CCC1(C(=O)N2C[C@@H]3CCC[C@H](Nc4cncc(-c5nnn[n-]5)n4)[C@H]3C2)CC1 ZINC001571214485 953102295 /nfs/dbraw/zinc/10/22/95/953102295.db2.gz ZWXBUTFNOGWEGE-IHRRRGAJSA-N -1 1 382.472 1.886 20 0 GDADMM CCC1(C(=O)N2C[C@@H]3CCC[C@H](Nc4cncc(-c5nn[n-]n5)n4)[C@H]3C2)CC1 ZINC001571214485 953102298 /nfs/dbraw/zinc/10/22/98/953102298.db2.gz ZWXBUTFNOGWEGE-IHRRRGAJSA-N -1 1 382.472 1.886 20 0 GDADMM O=C(CC1CC1)N1CCC(N(CC2CC2)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571217307 953106734 /nfs/dbraw/zinc/10/67/34/953106734.db2.gz FEFRCFRTXGDECE-UHFFFAOYSA-N -1 1 382.472 1.664 20 0 GDADMM O=C(C[C@@H]1C[C@H]1C1CC1)NC1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571217357 953107188 /nfs/dbraw/zinc/10/71/88/953107188.db2.gz GDOOZUZRQYZTRF-PPWQZUPISA-N -1 1 382.472 1.932 20 0 GDADMM O=C(C[C@@H]1C[C@H]1C1CC1)NC1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571217357 953107191 /nfs/dbraw/zinc/10/71/91/953107191.db2.gz GDOOZUZRQYZTRF-PPWQZUPISA-N -1 1 382.472 1.932 20 0 GDADMM O=C(C1CC2(CC2)C1)N1CCC[C@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001571217342 953107197 /nfs/dbraw/zinc/10/71/97/953107197.db2.gz FWADVSHQUUMYDK-CYBMUJFWSA-N -1 1 382.472 1.888 20 0 GDADMM O=C(C1CC2(CC2)C1)N1CCC[C@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001571217342 953107200 /nfs/dbraw/zinc/10/72/00/953107200.db2.gz FWADVSHQUUMYDK-CYBMUJFWSA-N -1 1 382.472 1.888 20 0 GDADMM O=C([C@H]1CC2CCC1CC2)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571218008 953111881 /nfs/dbraw/zinc/11/18/81/953111881.db2.gz KLLBWQYXHQWXFQ-CVSAEHQPSA-N -1 1 382.472 1.886 20 0 GDADMM O=C([C@H]1CC2CCC1CC2)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571218008 953111884 /nfs/dbraw/zinc/11/18/84/953111884.db2.gz KLLBWQYXHQWXFQ-CVSAEHQPSA-N -1 1 382.472 1.886 20 0 GDADMM O=C(N[C@@H]1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1)c1ccncc1F ZINC001571219774 953127463 /nfs/dbraw/zinc/12/74/63/953127463.db2.gz SJFCRADZNOHLQY-GXFFZTMASA-N -1 1 383.391 1.201 20 0 GDADMM O=C(N[C@@H]1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1)c1ccncc1F ZINC001571219774 953127465 /nfs/dbraw/zinc/12/74/65/953127465.db2.gz SJFCRADZNOHLQY-GXFFZTMASA-N -1 1 383.391 1.201 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC2CC(CNC(=O)c3cncc(F)c3)C2)n1 ZINC001571220235 953129221 /nfs/dbraw/zinc/12/92/21/953129221.db2.gz ZPSOIMSLCVLTCI-UHFFFAOYSA-N -1 1 383.391 1.120 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC2CC(CNC(=O)c3cncc(F)c3)C2)n1 ZINC001571220235 953129225 /nfs/dbraw/zinc/12/92/25/953129225.db2.gz ZPSOIMSLCVLTCI-UHFFFAOYSA-N -1 1 383.391 1.120 20 0 GDADMM CCc1nc(N[C@H]2CCCN(C(=O)c3ocnc3C)C2)cc(-c2nnn[n-]2)n1 ZINC001571222246 953132372 /nfs/dbraw/zinc/13/23/72/953132372.db2.gz BEBFIKMLIYXYPN-NSHDSACASA-N -1 1 383.416 1.232 20 0 GDADMM CCc1nc(N[C@H]2CCCN(C(=O)c3ocnc3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571222246 953132375 /nfs/dbraw/zinc/13/23/75/953132375.db2.gz BEBFIKMLIYXYPN-NSHDSACASA-N -1 1 383.416 1.232 20 0 GDADMM CCc1ocnc1C(=O)N1C[C@@H](C)[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571223073 953141473 /nfs/dbraw/zinc/14/14/73/953141473.db2.gz QCGPZVOHXICLKQ-MNOVXSKESA-N -1 1 383.416 1.027 20 0 GDADMM CCc1ocnc1C(=O)N1C[C@@H](C)[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571223073 953141475 /nfs/dbraw/zinc/14/14/75/953141475.db2.gz QCGPZVOHXICLKQ-MNOVXSKESA-N -1 1 383.416 1.027 20 0 GDADMM CCCc1cc(C(=O)N2CCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)no1 ZINC001571223729 953146509 /nfs/dbraw/zinc/14/65/09/953146509.db2.gz UCTHURIJEWGEAU-LLVKDONJSA-N -1 1 383.416 1.314 20 0 GDADMM CCCc1cc(C(=O)N2CCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)no1 ZINC001571223729 953146510 /nfs/dbraw/zinc/14/65/10/953146510.db2.gz UCTHURIJEWGEAU-LLVKDONJSA-N -1 1 383.416 1.314 20 0 GDADMM Cc1ncoc1C(=O)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001571225335 953153097 /nfs/dbraw/zinc/15/30/97/953153097.db2.gz JUKLUNIMIFFSDE-CMPLNLGQSA-N -1 1 383.416 1.163 20 0 GDADMM Cc1ncoc1C(=O)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001571225335 953153099 /nfs/dbraw/zinc/15/30/99/953153099.db2.gz JUKLUNIMIFFSDE-CMPLNLGQSA-N -1 1 383.416 1.163 20 0 GDADMM Cc1noc(C)c1C(=O)N1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1 ZINC001571226478 953156095 /nfs/dbraw/zinc/15/60/95/953156095.db2.gz RTEIPBUNZYIMRY-GFCCVEGCSA-N -1 1 383.416 1.224 20 0 GDADMM Cc1noc(C)c1C(=O)N1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C1 ZINC001571226478 953156096 /nfs/dbraw/zinc/15/60/96/953156096.db2.gz RTEIPBUNZYIMRY-GFCCVEGCSA-N -1 1 383.416 1.224 20 0 GDADMM Cc1cc(C(=O)N2CCCC[C@H]2[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)on1 ZINC001571226944 953157836 /nfs/dbraw/zinc/15/78/36/953157836.db2.gz XKDCLFMHEMZNBN-YPMHNXCESA-N -1 1 383.416 1.448 20 0 GDADMM Cc1cc(C(=O)N2CCCC[C@H]2[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)on1 ZINC001571226944 953157837 /nfs/dbraw/zinc/15/78/37/953157837.db2.gz XKDCLFMHEMZNBN-YPMHNXCESA-N -1 1 383.416 1.448 20 0 GDADMM Cc1oc(C(C)C)nc1C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571229027 953168044 /nfs/dbraw/zinc/16/80/44/953168044.db2.gz YLCYJYRXTNYCCZ-NSHDSACASA-N -1 1 383.416 1.403 20 0 GDADMM Cc1oc(C(C)C)nc1C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571229027 953168047 /nfs/dbraw/zinc/16/80/47/953168047.db2.gz YLCYJYRXTNYCCZ-NSHDSACASA-N -1 1 383.416 1.403 20 0 GDADMM COc1ccc(F)c(CNS(=O)(=O)Cc2csc(-c3nn[n-]n3)c2)c1 ZINC001571229712 953171250 /nfs/dbraw/zinc/17/12/50/953171250.db2.gz KQNOJWAHFLJRCU-UHFFFAOYSA-N -1 1 383.430 1.696 20 0 GDADMM CCOC1(CNS(=O)(=O)c2c(C)cc(F)cc2-c2nn[n-]n2)CCCC1 ZINC001571231478 953184987 /nfs/dbraw/zinc/18/49/87/953184987.db2.gz XSSDBSYRVFLQOQ-UHFFFAOYSA-N -1 1 383.449 1.942 20 0 GDADMM O=C(C[C@H]1CCCO1)N[C@H]1C[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571234654 953204632 /nfs/dbraw/zinc/20/46/32/953204632.db2.gz FHCJMNKSCXRVPQ-IWSPIJDZSA-N -1 1 383.865 1.605 20 0 GDADMM CC(C)[C@@H](O)CCNC(=O)Nc1ccc(Br)c(-c2nnn[n-]2)n1 ZINC001571234859 953205868 /nfs/dbraw/zinc/20/58/68/953205868.db2.gz KTPJFWHXSQYNKO-VIFPVBQESA-N -1 1 384.238 1.553 20 0 GDADMM CC(C)[C@@H](O)CCNC(=O)Nc1ccc(Br)c(-c2nn[n-]n2)n1 ZINC001571234859 953205869 /nfs/dbraw/zinc/20/58/69/953205869.db2.gz KTPJFWHXSQYNKO-VIFPVBQESA-N -1 1 384.238 1.553 20 0 GDADMM CC[C@H]1CN(C(=O)CC(F)(F)F)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571235004 953207569 /nfs/dbraw/zinc/20/75/69/953207569.db2.gz PKLJSWDCYPEFOZ-VHSXEESVSA-N -1 1 384.366 1.070 20 0 GDADMM O=C(c1cnsn1)N1CC[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571235178 953209076 /nfs/dbraw/zinc/20/90/76/953209076.db2.gz WBZMOHYSXRMXOQ-RXMQYKEDSA-N -1 1 383.850 1.155 20 0 GDADMM O=C(c1cnsn1)N1CC[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571235178 953209079 /nfs/dbraw/zinc/20/90/79/953209079.db2.gz WBZMOHYSXRMXOQ-RXMQYKEDSA-N -1 1 383.850 1.155 20 0 GDADMM COc1ccc(CN(C)C(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)c(OC)c1 ZINC001571235558 953213570 /nfs/dbraw/zinc/21/35/70/953213570.db2.gz IKGLXNLMSVHPPG-UHFFFAOYSA-N -1 1 384.396 1.565 20 0 GDADMM COc1ccc(C(=O)N[C@@H]2CC[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)o1 ZINC001571237934 953224165 /nfs/dbraw/zinc/22/41/65/953224165.db2.gz ONKFGVFHLFHGBX-GHMZBOCLSA-N -1 1 384.400 1.269 20 0 GDADMM COc1ccc(C(=O)N[C@@H]2CC[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)o1 ZINC001571237934 953224168 /nfs/dbraw/zinc/22/41/68/953224168.db2.gz ONKFGVFHLFHGBX-GHMZBOCLSA-N -1 1 384.400 1.269 20 0 GDADMM Cc1ccc(CC(=O)N2CCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)s1 ZINC001571244775 953267039 /nfs/dbraw/zinc/26/70/39/953267039.db2.gz HXQMGJJKCNAONQ-LBPRGKRZSA-N -1 1 384.469 1.094 20 0 GDADMM Cc1cc(C(=O)N(C)C2CC(Nc3ccnc(-c4nn[n-]n4)n3)C2)c(C)s1 ZINC001571244872 953268234 /nfs/dbraw/zinc/26/82/34/953268234.db2.gz KUDUIGKVHRLEMB-UHFFFAOYSA-N -1 1 384.469 1.472 20 0 GDADMM Cc1cscc1C(=O)N[C@H]1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571245297 953272410 /nfs/dbraw/zinc/27/24/10/953272410.db2.gz RJOHWDFWJGKWGL-HAQNSBGRSA-N -1 1 384.469 1.602 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCCN2C(=O)Cc2cccs2)n1 ZINC001571245538 953274251 /nfs/dbraw/zinc/27/42/51/953274251.db2.gz UUTMEZFLSZJANI-LBPRGKRZSA-N -1 1 384.469 1.672 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCCN2C(=O)Cc2cccs2)n1 ZINC001571245538 953274253 /nfs/dbraw/zinc/27/42/53/953274253.db2.gz UUTMEZFLSZJANI-LBPRGKRZSA-N -1 1 384.469 1.672 20 0 GDADMM C[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CN1C(=O)CCc1ccsc1 ZINC001571246238 953281863 /nfs/dbraw/zinc/28/18/63/953281863.db2.gz WUASDMFPJDWMPP-WCQYABFASA-N -1 1 384.469 1.752 20 0 GDADMM C[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CN1C(=O)CCc1ccsc1 ZINC001571246238 953281867 /nfs/dbraw/zinc/28/18/67/953281867.db2.gz WUASDMFPJDWMPP-WCQYABFASA-N -1 1 384.469 1.752 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)CC1)c1cccs1 ZINC001571248150 953289829 /nfs/dbraw/zinc/28/98/29/953289829.db2.gz MIYJNKNSZGEJAH-HAQNSBGRSA-N -1 1 384.469 1.541 20 0 GDADMM O=C(Cc1ccsc1)N1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571248739 953296689 /nfs/dbraw/zinc/29/66/89/953296689.db2.gz YPRWXDQZWYXVQL-CYBMUJFWSA-N -1 1 384.469 1.176 20 0 GDADMM CC(C)(C)C1CC(C(=O)N[C@]2(C)CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571249283 953303247 /nfs/dbraw/zinc/30/32/47/953303247.db2.gz HKPHOMOEVNPSLF-PNQRNNEWSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)C1CC(C(=O)N[C@]2(C)CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571249283 953303251 /nfs/dbraw/zinc/30/32/51/953303251.db2.gz HKPHOMOEVNPSLF-PNQRNNEWSA-N -1 1 384.488 1.814 20 0 GDADMM CCC1(C(=O)N2C[C@@H](C)[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCCCC1 ZINC001571250071 953307781 /nfs/dbraw/zinc/30/77/81/953307781.db2.gz NSHLWDGUGJJXMG-KGLIPLIRSA-N -1 1 384.488 1.698 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1)C1CCC1 ZINC001571250511 953311377 /nfs/dbraw/zinc/31/13/77/953311377.db2.gz QJXNRDUJUQKTMW-ZFWWWQNUSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)(CNc1ccnc(-c2nn[n-]n2)n1)C1CCN(C(=O)CC2CC2)CC1 ZINC001571251423 953317144 /nfs/dbraw/zinc/31/71/44/953317144.db2.gz XLCNNFHARKDSCR-UHFFFAOYSA-N -1 1 384.488 1.555 20 0 GDADMM CC1(C)CC(C(=O)N2CCCCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571251426 953317737 /nfs/dbraw/zinc/31/77/37/953317737.db2.gz XMHBFBKPKHYPEO-CQSZACIVSA-N -1 1 384.488 1.698 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H]3[C@H]2CCCN3C(=O)CC(C)(C)C)n1 ZINC001571251864 953320329 /nfs/dbraw/zinc/32/03/29/953320329.db2.gz BQASVWZXTQSHRP-HUUCEWRRSA-N -1 1 384.488 1.971 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H]3[C@H]2CCCN3C(=O)CC(C)(C)C)n1 ZINC001571251864 953320333 /nfs/dbraw/zinc/32/03/33/953320333.db2.gz BQASVWZXTQSHRP-HUUCEWRRSA-N -1 1 384.488 1.971 20 0 GDADMM CCC[C@@H]1C[C@H]1C(=O)NC1CC(CNc2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001571251847 953321063 /nfs/dbraw/zinc/32/10/63/953321063.db2.gz BCWXSODTBVSVBX-FKZOYECMSA-N -1 1 384.488 1.962 20 0 GDADMM CCC[C@@H]1C[C@H]1C(=O)NC1CC(CNc2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001571251847 953321068 /nfs/dbraw/zinc/32/10/68/953321068.db2.gz BCWXSODTBVSVBX-FKZOYECMSA-N -1 1 384.488 1.962 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3CC(C)C)C2)cc(-c2nnn[n-]2)n1 ZINC001571252281 953326655 /nfs/dbraw/zinc/32/66/55/953326655.db2.gz JPIYYFKYRABGFP-MGPQQGTHSA-N -1 1 384.488 1.914 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3CC(C)C)C2)cc(-c2nn[n-]n2)n1 ZINC001571252281 953326658 /nfs/dbraw/zinc/32/66/58/953326658.db2.gz JPIYYFKYRABGFP-MGPQQGTHSA-N -1 1 384.488 1.914 20 0 GDADMM CC[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCC(C)(C)CN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571252464 953328355 /nfs/dbraw/zinc/32/83/55/953328355.db2.gz NIHJECLNEFIIBI-HZSPNIEDSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001571252848 953332732 /nfs/dbraw/zinc/33/27/32/953332732.db2.gz WZVDCIWQEVVRTF-HZSPNIEDSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001571252848 953332736 /nfs/dbraw/zinc/33/27/36/953332736.db2.gz WZVDCIWQEVVRTF-HZSPNIEDSA-N -1 1 384.488 1.672 20 0 GDADMM CN(C[C@H]1CCN(C(=O)CC2CCCCC2)C1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571252764 953332997 /nfs/dbraw/zinc/33/29/97/953332997.db2.gz VXLVMBJCWBVCKS-OAHLLOKOSA-N -1 1 384.488 1.912 20 0 GDADMM CN(C[C@H]1CCN(C(=O)CC2CCCCC2)C1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571252764 953333000 /nfs/dbraw/zinc/33/30/00/953333000.db2.gz VXLVMBJCWBVCKS-OAHLLOKOSA-N -1 1 384.488 1.912 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H]3[C@H]2CCCN3C(=O)C(C)(C)C)n1 ZINC001571252945 953334774 /nfs/dbraw/zinc/33/47/74/953334774.db2.gz ZKZASEGIPJDGNU-ZIAGYGMSSA-N -1 1 384.488 1.835 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H]3[C@H]2CCCN3C(=O)C(C)(C)C)n1 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0 GDADMM CCS(=O)(=O)N(C)CCC[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000272134903 532080307 /nfs/dbraw/zinc/08/03/07/532080307.db2.gz XVJXOJWTWZWPLP-UHFFFAOYSA-N -1 1 390.314 1.338 20 0 GDADMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2cccc(S(C)(=O)=O)c2)cc1 ZINC000326901840 532079748 /nfs/dbraw/zinc/07/97/48/532079748.db2.gz CRXQHZQIOYXILR-UHFFFAOYSA-N -1 1 383.447 1.606 20 0 GDADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)co1 ZINC000425109200 532118880 /nfs/dbraw/zinc/11/88/80/532118880.db2.gz SSUYRZKTSYXSCF-UKRRQHHQSA-N -1 1 384.841 1.789 20 0 GDADMM C[C@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000330687937 532129789 /nfs/dbraw/zinc/12/97/89/532129789.db2.gz WRXIAZGXMBMZFF-JGVFFNPUSA-N -1 1 399.416 1.327 20 0 GDADMM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)NC[C@@H](C)N1CCN(C)CC1 ZINC000273708256 532166332 /nfs/dbraw/zinc/16/63/32/532166332.db2.gz OPIQNTQSQUXFGP-LLVKDONJSA-N -1 1 389.905 1.261 20 0 GDADMM Cc1noc([C@@H]2CN(C(=O)c3ccc(Br)c([O-])c3)CCN2C)n1 ZINC000332379761 532183758 /nfs/dbraw/zinc/18/37/58/532183758.db2.gz YOJSXFBDDJODBK-LBPRGKRZSA-N -1 1 381.230 1.975 20 0 GDADMM CCOCCS(=O)(=O)[N-]Cc1nc(Cc2cc(Cl)ccc2OC)no1 ZINC000273799439 532171340 /nfs/dbraw/zinc/17/13/40/532171340.db2.gz VYEACGDWUYDXNT-UHFFFAOYSA-N -1 1 389.861 1.778 20 0 GDADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@@](C)(O)c1cccc(Cl)c1 ZINC000274253879 532199473 /nfs/dbraw/zinc/19/94/73/532199473.db2.gz ZXZJRPACWQHJQQ-OAHLLOKOSA-N -1 1 387.845 1.426 20 0 GDADMM NC(=O)c1cc(C[N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)on1 ZINC000428414149 532206155 /nfs/dbraw/zinc/20/61/55/532206155.db2.gz SMZBJABHSSYGFV-UHFFFAOYSA-N -1 1 394.634 1.668 20 0 GDADMM CCN(C[C@@H](O)C(F)(F)F)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000428497092 532208909 /nfs/dbraw/zinc/20/89/09/532208909.db2.gz GPUFNQQGABGHEM-SNVBAGLBSA-N -1 1 386.392 1.742 20 0 GDADMM Cc1csc([C@@](O)(CC(=O)N(C)C[C@@H](C)c2nn[n-]n2)C(F)(F)F)n1 ZINC000274755218 532230998 /nfs/dbraw/zinc/23/09/98/532230998.db2.gz IIYBANGGLMPWMV-KRTXAFLBSA-N -1 1 378.380 1.367 20 0 GDADMM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2nc(C)n(C)c2Br)s1 ZINC000287798150 532242757 /nfs/dbraw/zinc/24/27/57/532242757.db2.gz LNJIMKUZNAXFIL-RXMQYKEDSA-N -1 1 380.293 1.690 20 0 GDADMM COC(=O)c1ncsc1S(=O)(=O)N[C@H](CCc1ccccc1)C(=O)[O-] ZINC000274924887 532243043 /nfs/dbraw/zinc/24/30/43/532243043.db2.gz NPSYFIYVIYRLIP-LLVKDONJSA-N -1 1 384.435 1.294 20 0 GDADMM Cc1nc(S(=O)(=O)[N-]C[C@H](O)c2ccsc2)c(Br)n1C ZINC000287885897 532248472 /nfs/dbraw/zinc/24/84/72/532248472.db2.gz RBIQVHTXKSYJNN-VIFPVBQESA-N -1 1 380.289 1.564 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2CCO)c(Br)o1 ZINC000275030498 532255572 /nfs/dbraw/zinc/25/55/72/532255572.db2.gz AGMBEAQYYKKMND-RKDXNWHRSA-N -1 1 396.259 1.658 20 0 GDADMM CN(C)S(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1N ZINC000430991440 532259215 /nfs/dbraw/zinc/25/92/15/532259215.db2.gz YRZRBTJAZZPFCH-UHFFFAOYSA-N -1 1 391.421 1.598 20 0 GDADMM COc1ccc(Br)c(C(=O)[O-])c1NS(=O)(=O)C[C@H]1CCOC1 ZINC000275059925 532259594 /nfs/dbraw/zinc/25/95/94/532259594.db2.gz UNPBFKPCAGSVQS-QMMMGPOBSA-N -1 1 394.243 1.934 20 0 GDADMM COc1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N(C)C)c2N)cc1 ZINC000430988464 532259751 /nfs/dbraw/zinc/25/97/51/532259751.db2.gz OLILJOHXROSAQQ-UHFFFAOYSA-N -1 1 385.467 1.329 20 0 GDADMM Cc1cccc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@@H]3C[C@H]2CS3)n1 ZINC000348353605 532266472 /nfs/dbraw/zinc/26/64/72/532266472.db2.gz RWJWFDNMPVHKES-STQMWFEESA-N -1 1 391.540 1.041 20 0 GDADMM CS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc1 ZINC000432190471 532279754 /nfs/dbraw/zinc/27/97/54/532279754.db2.gz FNLJJJZNXVWDRW-UHFFFAOYSA-N -1 1 378.431 1.732 20 0 GDADMM COC(=O)c1ncsc1S(=O)(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000275291804 532284575 /nfs/dbraw/zinc/28/45/75/532284575.db2.gz PLJBLSANWDTLRJ-LLVKDONJSA-N -1 1 384.435 1.814 20 0 GDADMM CC[C@@H]1[C@@H](C)CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(C)cn1 ZINC000349450341 532285561 /nfs/dbraw/zinc/28/55/61/532285561.db2.gz ADDMWTXWPWFJPI-LSDHHAIUSA-N -1 1 389.543 1.972 20 0 GDADMM Cc1nn(C)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1N1CCN(C)CC1 ZINC000288488180 532293105 /nfs/dbraw/zinc/29/31/05/532293105.db2.gz CQZBEWIQUQMWGG-UHFFFAOYSA-N -1 1 383.905 1.935 20 0 GDADMM O=S(=O)([N-]CC(F)(F)CO)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000275479610 532296831 /nfs/dbraw/zinc/29/68/31/532296831.db2.gz WXJQXKUFBQMJIZ-SNVBAGLBSA-N -1 1 385.816 1.661 20 0 GDADMM COC(=O)[C@H]([N-]S(=O)(=O)[C@@H]1CCO[C@H]1C)c1ccc(OC)c(Cl)c1 ZINC000276162255 532321344 /nfs/dbraw/zinc/32/13/44/532321344.db2.gz GXRUTIHTEXUPIC-CUOATXAZSA-N -1 1 377.846 1.660 20 0 GDADMM NC(=O)[C@H](c1cccc(Br)c1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000289505941 532326330 /nfs/dbraw/zinc/32/63/30/532326330.db2.gz UPGGSEHJDZPJDU-PWSUYJOCSA-N -1 1 380.246 1.267 20 0 GDADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H]1CCCN(C2CCCCC2)C1=O ZINC000276230459 532323987 /nfs/dbraw/zinc/32/39/87/532323987.db2.gz SEWHBQPISJXGPI-ZDUSSCGKSA-N -1 1 388.921 1.984 20 0 GDADMM CCOC[C@@H]1CCCN(C(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C1 ZINC000736609854 598864448 /nfs/dbraw/zinc/86/44/48/598864448.db2.gz UPZADORPRIPXLY-CQSZACIVSA-N -1 1 388.472 1.792 20 0 GDADMM O=C(c1cccnc1)N1CCc2cc(Nc3nccnc3-c3nnn[n-]3)ccc21 ZINC000738286118 598870401 /nfs/dbraw/zinc/87/04/01/598870401.db2.gz MYRNSMINZHILCF-UHFFFAOYSA-N -1 1 385.391 1.998 20 0 GDADMM O=C(c1cccnc1)N1CCc2cc(Nc3nccnc3-c3nn[n-]n3)ccc21 ZINC000738286118 598870403 /nfs/dbraw/zinc/87/04/03/598870403.db2.gz MYRNSMINZHILCF-UHFFFAOYSA-N -1 1 385.391 1.998 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)Nc2ccc3c(c2)CC(=O)N3)cc1-c1nn[n-]n1 ZINC000737185712 598878627 /nfs/dbraw/zinc/87/86/27/598878627.db2.gz BSQRRXPNFHLDAR-UHFFFAOYSA-N -1 1 383.393 1.436 20 0 GDADMM COC(=O)c1ccnc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)c1 ZINC000736957819 598912980 /nfs/dbraw/zinc/91/29/80/598912980.db2.gz UQKMMGCQFMUVSQ-UHFFFAOYSA-N -1 1 393.363 1.993 20 0 GDADMM COC(=O)c1ccnc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)c1 ZINC000736957819 598912981 /nfs/dbraw/zinc/91/29/81/598912981.db2.gz UQKMMGCQFMUVSQ-UHFFFAOYSA-N -1 1 393.363 1.993 20 0 GDADMM CCn1cc(C(=O)OCc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)cn1 ZINC000736718980 598921807 /nfs/dbraw/zinc/92/18/07/598921807.db2.gz MSLGCAMOWNHXEI-UHFFFAOYSA-N -1 1 378.396 1.934 20 0 GDADMM COc1ncc(C(=O)OCc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)cn1 ZINC000737163625 598923501 /nfs/dbraw/zinc/92/35/01/598923501.db2.gz KOLQXMXFAOKMGK-UHFFFAOYSA-N -1 1 392.379 1.516 20 0 GDADMM NS(=O)(=O)c1ccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000737770745 598955028 /nfs/dbraw/zinc/95/50/28/598955028.db2.gz YDDKKNQXUVNSML-UHFFFAOYSA-N -1 1 382.409 1.069 20 0 GDADMM NS(=O)(=O)c1ccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000737770745 598955030 /nfs/dbraw/zinc/95/50/30/598955030.db2.gz YDDKKNQXUVNSML-UHFFFAOYSA-N -1 1 382.409 1.069 20 0 GDADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1nc2ccccc2s1 ZINC000736129582 598959198 /nfs/dbraw/zinc/95/91/98/598959198.db2.gz GFTCKRXYFUSFCW-SECBINFHSA-N -1 1 387.450 1.911 20 0 GDADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1nc2ccccc2s1 ZINC000736129582 598959199 /nfs/dbraw/zinc/95/91/99/598959199.db2.gz GFTCKRXYFUSFCW-SECBINFHSA-N -1 1 387.450 1.911 20 0 GDADMM O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000737996955 598985050 /nfs/dbraw/zinc/98/50/50/598985050.db2.gz SQDCREHXVLSCFB-QGZVFWFLSA-N -1 1 379.424 1.065 20 0 GDADMM O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000737996955 598985051 /nfs/dbraw/zinc/98/50/51/598985051.db2.gz SQDCREHXVLSCFB-QGZVFWFLSA-N -1 1 379.424 1.065 20 0 GDADMM CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735625312 598998678 /nfs/dbraw/zinc/99/86/78/598998678.db2.gz CMWGTBXXZZWTCL-ZDUSSCGKSA-N -1 1 387.444 1.781 20 0 GDADMM CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735625312 598998680 /nfs/dbraw/zinc/99/86/80/598998680.db2.gz CMWGTBXXZZWTCL-ZDUSSCGKSA-N -1 1 387.444 1.781 20 0 GDADMM O=C(Nc1ccccc1F)[C@H]1CSCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738191141 599004951 /nfs/dbraw/zinc/00/49/51/599004951.db2.gz RPWSYAVNWOBFCM-CQSZACIVSA-N -1 1 399.411 1.555 20 0 GDADMM O=C(Nc1ccccc1F)[C@H]1CSCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738191141 599004953 /nfs/dbraw/zinc/00/49/53/599004953.db2.gz RPWSYAVNWOBFCM-CQSZACIVSA-N -1 1 399.411 1.555 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC[C@](C)(O)c2ccsc2)cc1-c1nn[n-]n1 ZINC000737187400 599015455 /nfs/dbraw/zinc/01/54/55/599015455.db2.gz RLUDUXRTFUERNJ-HNNXBMFYSA-N -1 1 392.466 1.388 20 0 GDADMM CC(C)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)NC(=O)OC(C)(C)C ZINC000735707560 599017885 /nfs/dbraw/zinc/01/78/85/599017885.db2.gz JAQWNEWEONKMCV-CYBMUJFWSA-N -1 1 375.433 1.541 20 0 GDADMM CC(C)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)NC(=O)OC(C)(C)C ZINC000735707560 599017887 /nfs/dbraw/zinc/01/78/87/599017887.db2.gz JAQWNEWEONKMCV-CYBMUJFWSA-N -1 1 375.433 1.541 20 0 GDADMM C[S@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000737172144 599018352 /nfs/dbraw/zinc/01/83/52/599018352.db2.gz GTFZWYJELLOBFA-DEOSSOPVSA-N -1 1 377.451 1.546 20 0 GDADMM Nc1n[nH]c(CCCNC(=O)Nc2ccccc2OCC2CC2)c1-c1nnn[n-]1 ZINC000737775753 599022348 /nfs/dbraw/zinc/02/23/48/599022348.db2.gz BRLICKAEAHTUKZ-UHFFFAOYSA-N -1 1 397.443 1.715 20 0 GDADMM Nc1n[nH]c(CCCNC(=O)Nc2ccccc2OCC2CC2)c1-c1nn[n-]n1 ZINC000737775753 599022350 /nfs/dbraw/zinc/02/23/50/599022350.db2.gz BRLICKAEAHTUKZ-UHFFFAOYSA-N -1 1 397.443 1.715 20 0 GDADMM O=C(NCCCNc1ccc(C(F)(F)F)cn1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738066578 599022590 /nfs/dbraw/zinc/02/25/90/599022590.db2.gz QRQJAAHAYWWFCD-UHFFFAOYSA-N -1 1 392.345 1.908 20 0 GDADMM O=C(NCCCNc1ccc(C(F)(F)F)cn1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738066578 599022592 /nfs/dbraw/zinc/02/25/92/599022592.db2.gz QRQJAAHAYWWFCD-UHFFFAOYSA-N -1 1 392.345 1.908 20 0 GDADMM O=C(Nc1ccccn1)[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000738196954 599024430 /nfs/dbraw/zinc/02/44/30/599024430.db2.gz PVNNYWONWGQCMF-CYBMUJFWSA-N -1 1 378.396 1.148 20 0 GDADMM O=C(Nc1ccccn1)[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000738196954 599024432 /nfs/dbraw/zinc/02/44/32/599024432.db2.gz PVNNYWONWGQCMF-CYBMUJFWSA-N -1 1 378.396 1.148 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)NCC(=O)OC(C)(C)C)c1-c1nn[n-]n1 ZINC000737189588 599035216 /nfs/dbraw/zinc/03/52/16/599035216.db2.gz PDYZQIOLXICZTQ-UHFFFAOYSA-N -1 1 390.469 1.933 20 0 GDADMM CC(C)(C)C(=O)NCc1ccc(C(=O)N=c2cc[nH]cc2-c2nn[n-]n2)cc1 ZINC000735589020 599074562 /nfs/dbraw/zinc/07/45/62/599074562.db2.gz HXVDMZYZJWAQGM-UHFFFAOYSA-N -1 1 379.424 1.598 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCSC[C@@H]1c1ccccc1 ZINC000738355253 599085843 /nfs/dbraw/zinc/08/58/43/599085843.db2.gz LYNZUADRCYULJV-OAHLLOKOSA-N -1 1 388.478 1.741 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCSC[C@@H]1c1ccccc1 ZINC000738355253 599085846 /nfs/dbraw/zinc/08/58/46/599085846.db2.gz LYNZUADRCYULJV-OAHLLOKOSA-N -1 1 388.478 1.741 20 0 GDADMM Cc1cc(N2CCC[C@@H](Nc3ccc(Cl)c(-c4nnn[n-]4)n3)C2=O)n(C)n1 ZINC000822207282 599106942 /nfs/dbraw/zinc/10/69/42/599106942.db2.gz QKOIVWWBXNCMNV-LLVKDONJSA-N -1 1 387.835 1.565 20 0 GDADMM Cc1cc(N2CCC[C@@H](Nc3ccc(Cl)c(-c4nn[n-]n4)n3)C2=O)n(C)n1 ZINC000822207282 599106945 /nfs/dbraw/zinc/10/69/45/599106945.db2.gz QKOIVWWBXNCMNV-LLVKDONJSA-N -1 1 387.835 1.565 20 0 GDADMM COC1CCC(N(C)C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)CC1 ZINC000736959917 599109122 /nfs/dbraw/zinc/10/91/22/599109122.db2.gz BNZGZSNZENPYAX-UHFFFAOYSA-N -1 1 378.458 1.719 20 0 GDADMM O=C(NC1CC1)[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)cc1 ZINC000738211945 599133343 /nfs/dbraw/zinc/13/33/43/599133343.db2.gz AOYMZJZLEWFLPQ-OAHLLOKOSA-N -1 1 382.355 1.578 20 0 GDADMM O=C(NC1CC1)[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)cc1 ZINC000738211945 599133345 /nfs/dbraw/zinc/13/33/45/599133345.db2.gz AOYMZJZLEWFLPQ-OAHLLOKOSA-N -1 1 382.355 1.578 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N1CCSc2ccccc21 ZINC000736159611 599134063 /nfs/dbraw/zinc/13/40/63/599134063.db2.gz XNZGFWRZCKXDCF-LLVKDONJSA-N -1 1 396.432 1.946 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N1CCSc2ccccc21 ZINC000736159611 599134065 /nfs/dbraw/zinc/13/40/65/599134065.db2.gz XNZGFWRZCKXDCF-LLVKDONJSA-N -1 1 396.432 1.946 20 0 GDADMM CC(C)[C@H](NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000735723416 599134285 /nfs/dbraw/zinc/13/42/85/599134285.db2.gz YBOMSENZVDPTGV-KRWDZBQOSA-N -1 1 380.408 1.932 20 0 GDADMM CC(C)[C@H](NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000735723416 599134287 /nfs/dbraw/zinc/13/42/87/599134287.db2.gz YBOMSENZVDPTGV-KRWDZBQOSA-N -1 1 380.408 1.932 20 0 GDADMM CC(=O)Nc1cccc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000735489059 599134338 /nfs/dbraw/zinc/13/43/38/599134338.db2.gz TVMHOTNVWLQDIV-JTQLQIEISA-N -1 1 395.379 1.404 20 0 GDADMM CC(=O)Nc1cccc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000735489059 599134340 /nfs/dbraw/zinc/13/43/40/599134340.db2.gz TVMHOTNVWLQDIV-JTQLQIEISA-N -1 1 395.379 1.404 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)NC12CC3CC(CC(C3)C1)C2 ZINC000737909622 599137587 /nfs/dbraw/zinc/13/75/87/599137587.db2.gz VYPGBWYJXLEWRM-UHFFFAOYSA-N -1 1 382.424 1.504 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)NC12CC3CC(CC(C3)C1)C2 ZINC000737909622 599137590 /nfs/dbraw/zinc/13/75/90/599137590.db2.gz VYPGBWYJXLEWRM-UHFFFAOYSA-N -1 1 382.424 1.504 20 0 GDADMM CCOc1ccc(CN(C)C(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736642969 599138665 /nfs/dbraw/zinc/13/86/65/599138665.db2.gz ALPUVGLIUVUEBS-UHFFFAOYSA-N -1 1 396.407 1.476 20 0 GDADMM CCOc1ccc(CN(C)C(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736642969 599138667 /nfs/dbraw/zinc/13/86/67/599138667.db2.gz ALPUVGLIUVUEBS-UHFFFAOYSA-N -1 1 396.407 1.476 20 0 GDADMM Cc1ccc([C@@H](C)NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1C ZINC000737322246 599139693 /nfs/dbraw/zinc/13/96/93/599139693.db2.gz WYNFMEBEPODRRS-CYBMUJFWSA-N -1 1 380.408 1.913 20 0 GDADMM Cc1ccc([C@@H](C)NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1C ZINC000737322246 599139695 /nfs/dbraw/zinc/13/96/95/599139695.db2.gz WYNFMEBEPODRRS-CYBMUJFWSA-N -1 1 380.408 1.913 20 0 GDADMM CC(C)Oc1cccc(CNC(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000735912380 599142745 /nfs/dbraw/zinc/14/27/45/599142745.db2.gz AVLMEVGZDQNTRQ-UHFFFAOYSA-N -1 1 396.407 1.522 20 0 GDADMM CC(C)Oc1cccc(CNC(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000735912380 599142747 /nfs/dbraw/zinc/14/27/47/599142747.db2.gz AVLMEVGZDQNTRQ-UHFFFAOYSA-N -1 1 396.407 1.522 20 0 GDADMM CC(C)c1ccc(CCCNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1 ZINC000735925115 599206532 /nfs/dbraw/zinc/20/65/32/599206532.db2.gz YJGBDOZEXVWJSY-UHFFFAOYSA-N -1 1 383.456 1.432 20 0 GDADMM COc1ccccc1-c1noc([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC000821883708 599215281 /nfs/dbraw/zinc/21/52/81/599215281.db2.gz ZXMNKZRYMYWLRW-JTQLQIEISA-N -1 1 392.379 1.811 20 0 GDADMM COc1ccccc1-c1noc([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC000821883708 599215284 /nfs/dbraw/zinc/21/52/84/599215284.db2.gz ZXMNKZRYMYWLRW-JTQLQIEISA-N -1 1 392.379 1.811 20 0 GDADMM CC(C)[C@@H](Cc1ccc(F)cc1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820020832 599232005 /nfs/dbraw/zinc/23/20/05/599232005.db2.gz KRMXRXCULXTDNZ-MRXNPFEDSA-N -1 1 390.444 1.946 20 0 GDADMM CC(C)[C@@H](Cc1ccc(F)cc1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820020832 599232007 /nfs/dbraw/zinc/23/20/07/599232007.db2.gz KRMXRXCULXTDNZ-MRXNPFEDSA-N -1 1 390.444 1.946 20 0 GDADMM Cc1c(Cl)cccc1NC(=O)CNC(=O)CN1CCC[C@@H](CC(=O)[O-])C1 ZINC000532881706 597085682 /nfs/dbraw/zinc/08/56/82/597085682.db2.gz QMWIFBZEBWFLEY-ZDUSSCGKSA-N -1 1 381.860 1.890 20 0 GDADMM Cc1cnc(CNC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)s1 ZINC000737445984 599249963 /nfs/dbraw/zinc/24/99/63/599249963.db2.gz MVVHYWQTWJURJP-UHFFFAOYSA-N -1 1 397.468 1.540 20 0 GDADMM Cc1cnc(CNC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)s1 ZINC000737445984 599249964 /nfs/dbraw/zinc/24/99/64/599249964.db2.gz MVVHYWQTWJURJP-UHFFFAOYSA-N -1 1 397.468 1.540 20 0 GDADMM O=C([O-])c1ccc(CNC(=O)NC[C@H](O)CN2CCc3ccccc3C2)cc1 ZINC000819188168 597301056 /nfs/dbraw/zinc/30/10/56/597301056.db2.gz CSLQSIFPJMMYPG-IBGZPJMESA-N -1 1 383.448 1.603 20 0 GDADMM CC(C)(C)NC(=O)CN1CCC(CNC(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC000647177778 598146288 /nfs/dbraw/zinc/14/62/88/598146288.db2.gz MONMSRSTCRVDCA-UHFFFAOYSA-N -1 1 375.469 1.741 20 0 GDADMM C[C@@H](NC(=O)c1c[nH]c2ccc(I)cc2c1=O)C(=O)[O-] ZINC000820129895 598161495 /nfs/dbraw/zinc/16/14/95/598161495.db2.gz RQAQLNMDIKMPDY-ZCFIWIBFSA-N -1 1 386.145 1.336 20 0 GDADMM CC[C@H](C)[C@H](NCC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1)C(=O)[O-] ZINC000263068645 598187440 /nfs/dbraw/zinc/18/74/40/598187440.db2.gz GLWZQNLWIMDGCT-DJJJIMSYSA-N -1 1 393.459 1.766 20 0 GDADMM COc1cccc([C@@H]2[C@H](NC(=O)N3CCO[C@@H](C(=O)[O-])C3)CCN2C2CC2)c1 ZINC000820865785 598209295 /nfs/dbraw/zinc/20/92/95/598209295.db2.gz YWCKUJMZXNBLQT-KZNAEPCWSA-N -1 1 389.452 1.468 20 0 GDADMM O=S(=O)(NCCSCc1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738337464 598260943 /nfs/dbraw/zinc/26/09/43/598260943.db2.gz CEOICGASCQWOIJ-UHFFFAOYSA-N -1 1 376.467 1.473 20 0 GDADMM O=S(=O)(NCCSCc1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738337464 598260946 /nfs/dbraw/zinc/26/09/46/598260946.db2.gz CEOICGASCQWOIJ-UHFFFAOYSA-N -1 1 376.467 1.473 20 0 GDADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(OC(F)F)cc1 ZINC000736129805 598261877 /nfs/dbraw/zinc/26/18/77/598261877.db2.gz IHIAAWGVBMWAMR-SECBINFHSA-N -1 1 396.379 1.903 20 0 GDADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(OC(F)F)cc1 ZINC000736129805 598261879 /nfs/dbraw/zinc/26/18/79/598261879.db2.gz IHIAAWGVBMWAMR-SECBINFHSA-N -1 1 396.379 1.903 20 0 GDADMM Cn1ccnc1[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000737617020 598262349 /nfs/dbraw/zinc/26/23/49/598262349.db2.gz YWFVMWNYOINWRI-HNNXBMFYSA-N -1 1 396.436 1.063 20 0 GDADMM Cn1ccnc1[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000737617020 598262351 /nfs/dbraw/zinc/26/23/51/598262351.db2.gz YWFVMWNYOINWRI-HNNXBMFYSA-N -1 1 396.436 1.063 20 0 GDADMM O=C(Nc1cccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1)C1CC1 ZINC000738183519 598266432 /nfs/dbraw/zinc/26/64/32/598266432.db2.gz IUVAEQMCFMIIPT-UHFFFAOYSA-N -1 1 386.393 1.378 20 0 GDADMM O=C(Nc1cccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1)C1CC1 ZINC000738183519 598266433 /nfs/dbraw/zinc/26/64/33/598266433.db2.gz IUVAEQMCFMIIPT-UHFFFAOYSA-N -1 1 386.393 1.378 20 0 GDADMM C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@H](c2ccccc2)O1 ZINC000736291279 598268917 /nfs/dbraw/zinc/26/89/17/598268917.db2.gz VANXYTXPHHZLSW-MLGOLLRUSA-N -1 1 386.437 1.412 20 0 GDADMM C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@H](c2ccccc2)O1 ZINC000736291279 598268919 /nfs/dbraw/zinc/26/89/19/598268919.db2.gz VANXYTXPHHZLSW-MLGOLLRUSA-N -1 1 386.437 1.412 20 0 GDADMM CC(=O)NC1CCC(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)CC1 ZINC000735474096 598287610 /nfs/dbraw/zinc/28/76/10/598287610.db2.gz GWEUJXDSVMXCEP-UHFFFAOYSA-N -1 1 397.439 1.736 20 0 GDADMM CC(=O)NC1CCC(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)CC1 ZINC000735474096 598287611 /nfs/dbraw/zinc/28/76/11/598287611.db2.gz GWEUJXDSVMXCEP-UHFFFAOYSA-N -1 1 397.439 1.736 20 0 GDADMM CN(CCOc1ccc(Br)cc1)c1nccnc1-c1nnn[n-]1 ZINC000736802367 598337786 /nfs/dbraw/zinc/33/77/86/598337786.db2.gz RBTOQPISHXWQNQ-UHFFFAOYSA-N -1 1 376.218 1.934 20 0 GDADMM CN(CCOc1ccc(Br)cc1)c1nccnc1-c1nn[n-]n1 ZINC000736802367 598337788 /nfs/dbraw/zinc/33/77/88/598337788.db2.gz RBTOQPISHXWQNQ-UHFFFAOYSA-N -1 1 376.218 1.934 20 0 GDADMM C[C@H](C(=O)Nc1ccc(Nc2nccnc2-c2nnn[n-]2)cc1)n1cncn1 ZINC000735559291 598343300 /nfs/dbraw/zinc/34/33/00/598343300.db2.gz LAYHCGXJUGRLHM-SNVBAGLBSA-N -1 1 377.372 1.192 20 0 GDADMM C[C@H](C(=O)Nc1ccc(Nc2nccnc2-c2nn[n-]n2)cc1)n1cncn1 ZINC000735559291 598343302 /nfs/dbraw/zinc/34/33/02/598343302.db2.gz LAYHCGXJUGRLHM-SNVBAGLBSA-N -1 1 377.372 1.192 20 0 GDADMM O=C(CCc1ccccc1)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC000737857358 598345324 /nfs/dbraw/zinc/34/53/24/598345324.db2.gz OUGNOTYTMRMMGY-UHFFFAOYSA-N -1 1 378.440 1.692 20 0 GDADMM O=C(CCc1ccccc1)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC000737857358 598345325 /nfs/dbraw/zinc/34/53/25/598345325.db2.gz OUGNOTYTMRMMGY-UHFFFAOYSA-N -1 1 378.440 1.692 20 0 GDADMM Clc1cnc(N2CCN(c3nccnc3-c3nnn[n-]3)CC2)c(Cl)c1 ZINC000737584555 598345538 /nfs/dbraw/zinc/34/55/38/598345538.db2.gz SBEOKAZEORLUKE-UHFFFAOYSA-N -1 1 378.227 1.685 20 0 GDADMM Clc1cnc(N2CCN(c3nccnc3-c3nn[n-]n3)CC2)c(Cl)c1 ZINC000737584555 598345540 /nfs/dbraw/zinc/34/55/40/598345540.db2.gz SBEOKAZEORLUKE-UHFFFAOYSA-N -1 1 378.227 1.685 20 0 GDADMM Cc1nnc2ccc(C(=O)OCC(=O)Nc3oc(C)c(C)c3-c3nn[n-]n3)cn12 ZINC000737551498 598371473 /nfs/dbraw/zinc/37/14/73/598371473.db2.gz HXNXSEVJBDRIPH-UHFFFAOYSA-N -1 1 396.367 1.223 20 0 GDADMM O=C(CN1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)Nc1ccccc1Cl ZINC000737882897 598385905 /nfs/dbraw/zinc/38/59/05/598385905.db2.gz LRAGNDJKIMHGLM-UHFFFAOYSA-N -1 1 399.846 1.071 20 0 GDADMM O=C(CN1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)Nc1ccccc1Cl ZINC000737882897 598385907 /nfs/dbraw/zinc/38/59/07/598385907.db2.gz LRAGNDJKIMHGLM-UHFFFAOYSA-N -1 1 399.846 1.071 20 0 GDADMM O=C(NC[C@H]1COCCO1)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000738051548 598400573 /nfs/dbraw/zinc/40/05/73/598400573.db2.gz OOBOQCYIIITDQW-AWEZNQCLSA-N -1 1 399.382 1.943 20 0 GDADMM O=C(NC[C@H]1COCCO1)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000738051548 598400575 /nfs/dbraw/zinc/40/05/75/598400575.db2.gz OOBOQCYIIITDQW-AWEZNQCLSA-N -1 1 399.382 1.943 20 0 GDADMM O=C(c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1)N1CCCNC(=O)C1 ZINC000738304085 598402597 /nfs/dbraw/zinc/40/25/97/598402597.db2.gz WNMQORRNILPRDG-UHFFFAOYSA-N -1 1 396.382 1.760 20 0 GDADMM O=C(c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1)N1CCCNC(=O)C1 ZINC000738304085 598402598 /nfs/dbraw/zinc/40/25/98/598402598.db2.gz WNMQORRNILPRDG-UHFFFAOYSA-N -1 1 396.382 1.760 20 0 GDADMM CN(CCN(C)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736799378 598471661 /nfs/dbraw/zinc/47/16/61/598471661.db2.gz SBJJVFVAJKEXNW-UHFFFAOYSA-N -1 1 390.444 1.763 20 0 GDADMM CC(C)(C)c1nc(-c2nn[n-]n2)c(NNC(=S)NCCc2cccnc2)o1 ZINC000735657905 598496169 /nfs/dbraw/zinc/49/61/69/598496169.db2.gz XEZRHBSKRCUBJN-UHFFFAOYSA-N -1 1 387.473 1.581 20 0 GDADMM CN(Cc1ccc(F)cc1)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000736820552 598503879 /nfs/dbraw/zinc/50/38/79/598503879.db2.gz YBEUSNXSVLKWSY-UHFFFAOYSA-N -1 1 392.394 1.979 20 0 GDADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)N1CCc2ccccc2C1 ZINC000737983508 598504839 /nfs/dbraw/zinc/50/48/39/598504839.db2.gz WRUZCJQOOOLGOE-UHFFFAOYSA-N -1 1 386.415 1.767 20 0 GDADMM O=C1CSc2ccc([N-]S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)cc2N1 ZINC000738305820 598513888 /nfs/dbraw/zinc/51/38/88/598513888.db2.gz CCZVUBRNFVWDSE-UHFFFAOYSA-N -1 1 388.434 1.712 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)Nc2nc3c(s2)COCC3)cc1-c1nn[n-]n1 ZINC000737186060 598530195 /nfs/dbraw/zinc/53/01/95/598530195.db2.gz FMRJUAQXQRTSMK-UHFFFAOYSA-N -1 1 391.438 1.471 20 0 GDADMM Cc1oc(NC(=O)COC(=O)c2cnn3ccc(C)nc23)c(-c2nn[n-]n2)c1C ZINC000737434830 598533522 /nfs/dbraw/zinc/53/35/22/598533522.db2.gz CQRLFTUPPDTWBF-UHFFFAOYSA-N -1 1 396.367 1.223 20 0 GDADMM Cc1cc(Oc2ncccc2-c2nn[n-]n2)ccc1NC(=O)C(=O)N[C@@H]1C[C@H]1C ZINC000737280957 598535967 /nfs/dbraw/zinc/53/59/67/598535967.db2.gz WGZPEBFYEHMIOU-IAQYHMDHSA-N -1 1 393.407 1.826 20 0 GDADMM CCc1nc(CN2CCC[C@H](Nc3snc(Cl)c3-c3nnn[n-]3)C2)no1 ZINC000736705043 598546077 /nfs/dbraw/zinc/54/60/77/598546077.db2.gz XDQWJLHWUIUEES-QMMMGPOBSA-N -1 1 395.880 1.999 20 0 GDADMM CCc1nc(CN2CCC[C@H](Nc3snc(Cl)c3-c3nn[n-]n3)C2)no1 ZINC000736705043 598546078 /nfs/dbraw/zinc/54/60/78/598546078.db2.gz XDQWJLHWUIUEES-QMMMGPOBSA-N -1 1 395.880 1.999 20 0 GDADMM Cc1cc(C)cc(C2=NC(=Cc3cnc4c(-c5nnn[n-]5)cnn4c3)C(=O)O2)c1 ZINC000737254477 598566921 /nfs/dbraw/zinc/56/69/21/598566921.db2.gz XXSGLBGJQFNXNE-GIDUJCDVSA-N -1 1 386.375 1.871 20 0 GDADMM Cc1cc(C)cc(C2=NC(=Cc3cnc4c(-c5nn[n-]n5)cnn4c3)C(=O)O2)c1 ZINC000737254477 598566922 /nfs/dbraw/zinc/56/69/22/598566922.db2.gz XXSGLBGJQFNXNE-GIDUJCDVSA-N -1 1 386.375 1.871 20 0 GDADMM O=C1OC(c2ccc(F)c(F)c2)=NC1=Cc1cnc2c(-c3nnn[n-]3)cnn2c1 ZINC000738318096 598567292 /nfs/dbraw/zinc/56/72/92/598567292.db2.gz IUFXQSUOXPCAMV-QLKAYGNNSA-N -1 1 394.301 1.532 20 0 GDADMM O=C1OC(c2ccc(F)c(F)c2)=NC1=Cc1cnc2c(-c3nn[n-]n3)cnn2c1 ZINC000738318096 598567294 /nfs/dbraw/zinc/56/72/94/598567294.db2.gz IUFXQSUOXPCAMV-QLKAYGNNSA-N -1 1 394.301 1.532 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)NC[C@H](O)C(C)(C)C)c1-c1nn[n-]n1 ZINC000821989862 607358741 /nfs/dbraw/zinc/35/87/41/607358741.db2.gz MMERVJVQBGOCJN-LBPRGKRZSA-N -1 1 376.486 1.998 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCCOC[C@@H]1CCOC1 ZINC000737548399 598590668 /nfs/dbraw/zinc/59/06/68/598590668.db2.gz PTMVLOIUWZMZFD-CYBMUJFWSA-N -1 1 386.412 1.342 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCOC[C@@H]1CCOC1 ZINC000737548399 598590669 /nfs/dbraw/zinc/59/06/69/598590669.db2.gz PTMVLOIUWZMZFD-CYBMUJFWSA-N -1 1 386.412 1.342 20 0 GDADMM CCc1cc(NCCCc2[nH]nc(N)c2-c2nnn[n-]2)nc(-c2ccccn2)n1 ZINC000736676790 598592072 /nfs/dbraw/zinc/59/20/72/598592072.db2.gz DRJOWGXDTYZIHR-UHFFFAOYSA-N -1 1 391.443 1.631 20 0 GDADMM CCc1cc(NCCCc2[nH]nc(N)c2-c2nn[n-]n2)nc(-c2ccccn2)n1 ZINC000736676790 598592074 /nfs/dbraw/zinc/59/20/74/598592074.db2.gz DRJOWGXDTYZIHR-UHFFFAOYSA-N -1 1 391.443 1.631 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)Nc2ccc3c(c2)oc(=O)n3C)cc1-c1nn[n-]n1 ZINC000737187279 598606060 /nfs/dbraw/zinc/60/60/60/598606060.db2.gz PKUREBLEMQUXGT-UHFFFAOYSA-N -1 1 399.392 1.386 20 0 GDADMM CCc1nn(CC(=O)N(C2CC2)C2CCCC2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705445 598641664 /nfs/dbraw/zinc/64/16/64/598641664.db2.gz IQBARXCQWWOEIX-UHFFFAOYSA-N -1 1 385.472 1.482 20 0 GDADMM C[C@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c2ccccc2O1 ZINC000736290131 598674982 /nfs/dbraw/zinc/67/49/82/598674982.db2.gz OOHHVFRNSNVCRH-JTQLQIEISA-N -1 1 375.385 1.982 20 0 GDADMM COc1cc(Br)c(Cn2cccc(-c3nn[n-]n3)c2=O)cc1OC ZINC000737031817 598677123 /nfs/dbraw/zinc/67/71/23/598677123.db2.gz GBKRWSLPWVUVSM-UHFFFAOYSA-N -1 1 392.213 1.856 20 0 GDADMM COc1cc(C=O)ccc1OS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737043889 598685201 /nfs/dbraw/zinc/68/52/01/598685201.db2.gz LHFUEZZJMWOKSI-UHFFFAOYSA-N -1 1 378.341 1.595 20 0 GDADMM Cc1noc([C@@H]2CCCN(S(=O)(=O)c3ccc(F)c(-c4nn[n-]n4)c3)C2)n1 ZINC000737534956 598691809 /nfs/dbraw/zinc/69/18/09/598691809.db2.gz OMXPMQVVGGJILU-SNVBAGLBSA-N -1 1 393.404 1.266 20 0 GDADMM Cc1oc(NC(=O)CN2CCC[C@@H](N3CCCC3=O)C2)c(-c2nn[n-]n2)c1C ZINC000737553998 598707774 /nfs/dbraw/zinc/70/77/74/598707774.db2.gz YVZQXKBFNPQDLH-CYBMUJFWSA-N -1 1 387.444 1.102 20 0 GDADMM CC(=O)Nc1cccc2c1N(S(=O)(=O)c1ccc(-c3nnn[n-]3)nc1)CCC2 ZINC000735489275 598708666 /nfs/dbraw/zinc/70/86/66/598708666.db2.gz YPAVMXDZNNDLGH-UHFFFAOYSA-N -1 1 399.436 1.362 20 0 GDADMM CC(=O)Nc1cccc2c1N(S(=O)(=O)c1ccc(-c3nn[n-]n3)nc1)CCC2 ZINC000735489275 598708667 /nfs/dbraw/zinc/70/86/67/598708667.db2.gz YPAVMXDZNNDLGH-UHFFFAOYSA-N -1 1 399.436 1.362 20 0 GDADMM Cc1nc2c(s1)[C@H](N(C)S(=O)(=O)c1ccc(-c3nnn[n-]3)nc1)CCC2 ZINC000737489464 598712650 /nfs/dbraw/zinc/71/26/50/598712650.db2.gz YAPNFFCTBLIBTE-CYBMUJFWSA-N -1 1 391.482 1.725 20 0 GDADMM Cc1nc2c(s1)[C@H](N(C)S(=O)(=O)c1ccc(-c3nn[n-]n3)nc1)CCC2 ZINC000737489464 598712652 /nfs/dbraw/zinc/71/26/52/598712652.db2.gz YAPNFFCTBLIBTE-CYBMUJFWSA-N -1 1 391.482 1.725 20 0 GDADMM COc1ccc(CNC(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)cc1 ZINC000737093023 598719286 /nfs/dbraw/zinc/71/92/86/598719286.db2.gz SRXBKJNVHSUVKA-UHFFFAOYSA-N -1 1 390.403 1.507 20 0 GDADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21)NCc1ccco1 ZINC000737983726 598721649 /nfs/dbraw/zinc/72/16/49/598721649.db2.gz YVTBLXXLNPQOIX-UHFFFAOYSA-N -1 1 384.783 1.744 20 0 GDADMM CN(C)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Br)ccc21 ZINC000736746021 598722486 /nfs/dbraw/zinc/72/24/86/598722486.db2.gz FATTVWZAJDCHLN-UHFFFAOYSA-N -1 1 377.202 1.032 20 0 GDADMM Nc1n[nH]c(CCCNC(=O)Nc2ccnn2C2CCCCC2)c1-c1nnn[n-]1 ZINC000737777360 598731193 /nfs/dbraw/zinc/73/11/93/598731193.db2.gz XAXNWEAVYQTKGU-UHFFFAOYSA-N -1 1 399.463 1.628 20 0 GDADMM Nc1n[nH]c(CCCNC(=O)Nc2ccnn2C2CCCCC2)c1-c1nn[n-]n1 ZINC000737777360 598731195 /nfs/dbraw/zinc/73/11/95/598731195.db2.gz XAXNWEAVYQTKGU-UHFFFAOYSA-N -1 1 399.463 1.628 20 0 GDADMM COC[C@@H](C)C(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000736967464 598749973 /nfs/dbraw/zinc/74/99/73/598749973.db2.gz KQQLDHKHJFVFAW-LLVKDONJSA-N -1 1 387.400 1.046 20 0 GDADMM COC(=O)CCN(C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)C(C)C ZINC000736912940 598805321 /nfs/dbraw/zinc/80/53/21/598805321.db2.gz JPALGCJLRUEUNK-UHFFFAOYSA-N -1 1 390.444 1.317 20 0 GDADMM C[C@@H](c1cc2ccccc2o1)N(C)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736196603 598814319 /nfs/dbraw/zinc/81/43/19/598814319.db2.gz KPUSTTPBIUBVGV-JTQLQIEISA-N -1 1 381.396 1.208 20 0 GDADMM C[C@@H](c1ccc(Cl)cc1)N(C)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736200516 598814476 /nfs/dbraw/zinc/81/44/76/598814476.db2.gz UARDCPHEXYWRNM-VIFPVBQESA-N -1 1 375.820 1.115 20 0 GDADMM COc1cc(C2=NC(=Cc3ccc(-c4nnn[n-]4)o3)C(=O)O2)cc(OC)c1OC ZINC000821713204 599309305 /nfs/dbraw/zinc/30/93/05/599309305.db2.gz RJYNATPAOOQVCY-DHZHZOJOSA-N -1 1 397.347 1.830 20 0 GDADMM COc1cc(C2=NC(=Cc3ccc(-c4nn[n-]n4)o3)C(=O)O2)cc(OC)c1OC ZINC000821713204 599309308 /nfs/dbraw/zinc/30/93/08/599309308.db2.gz RJYNATPAOOQVCY-DHZHZOJOSA-N -1 1 397.347 1.830 20 0 GDADMM Cc1noc2ncc([N-]S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3F)cc12 ZINC000737546427 599314728 /nfs/dbraw/zinc/31/47/28/599314728.db2.gz BWAHKKNPNJVAAB-UHFFFAOYSA-N -1 1 375.345 1.651 20 0 GDADMM CC(C)(C)[C@@H]1OCCC[C@H]1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735598061 599323190 /nfs/dbraw/zinc/32/31/90/599323190.db2.gz WUWZPSVQTPPOFF-SMDDNHRTSA-N -1 1 380.474 1.381 20 0 GDADMM CC(C)(C)[C@@H]1OCCC[C@H]1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735598061 599323193 /nfs/dbraw/zinc/32/31/93/599323193.db2.gz WUWZPSVQTPPOFF-SMDDNHRTSA-N -1 1 380.474 1.381 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(C)c1ccc(Cl)nn1 ZINC000737201005 599340007 /nfs/dbraw/zinc/34/00/07/599340007.db2.gz PKVICDZOGXJWSG-UHFFFAOYSA-N -1 1 388.819 1.623 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCOC2(CCCCC2)C1 ZINC000823600200 599360884 /nfs/dbraw/zinc/36/08/84/599360884.db2.gz DEHHDBZKBMPVIZ-UHFFFAOYSA-N -1 1 381.433 1.730 20 0 GDADMM Cc1ccc(S(=O)(=O)N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)c(C)c1 ZINC000737370862 599393463 /nfs/dbraw/zinc/39/34/63/599393463.db2.gz WSOHCPYNUVGEJD-UHFFFAOYSA-N -1 1 399.480 1.389 20 0 GDADMM Cc1ccc(S(=O)(=O)N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)c(C)c1 ZINC000737370862 599393466 /nfs/dbraw/zinc/39/34/66/599393466.db2.gz WSOHCPYNUVGEJD-UHFFFAOYSA-N -1 1 399.480 1.389 20 0 GDADMM CCOC(=O)c1ccc(N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)nc1 ZINC000736603492 599403788 /nfs/dbraw/zinc/40/37/88/599403788.db2.gz XKEKLADFYJVSOB-UHFFFAOYSA-N -1 1 380.412 1.160 20 0 GDADMM CCOC(=O)c1ccc(N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)nc1 ZINC000736603492 599403790 /nfs/dbraw/zinc/40/37/90/599403790.db2.gz XKEKLADFYJVSOB-UHFFFAOYSA-N -1 1 380.412 1.160 20 0 GDADMM O=C1C[C@H](c2cccc([N-]S(=O)(=O)c3cccc(-c4nn[nH]n4)c3)c2)CN1 ZINC000823520346 607377964 /nfs/dbraw/zinc/37/79/64/607377964.db2.gz LWBMEOUFGHQMDE-ZDUSSCGKSA-N -1 1 384.421 1.271 20 0 GDADMM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736232974 599480338 /nfs/dbraw/zinc/48/03/38/599480338.db2.gz DQYGUXQGSRJETJ-YPMHNXCESA-N -1 1 388.428 1.968 20 0 GDADMM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736232974 599480340 /nfs/dbraw/zinc/48/03/40/599480340.db2.gz DQYGUXQGSRJETJ-YPMHNXCESA-N -1 1 388.428 1.968 20 0 GDADMM COc1ccnc(N2CCN(c3cc(-c4nnn[n-]4)nc4ccccc43)CC2)n1 ZINC000821904610 599497726 /nfs/dbraw/zinc/49/77/26/599497726.db2.gz YMAVGSQFXRSDRB-UHFFFAOYSA-N -1 1 389.423 1.540 20 0 GDADMM COc1ccnc(N2CCN(c3cc(-c4nn[n-]n4)nc4ccccc43)CC2)n1 ZINC000821904610 599497728 /nfs/dbraw/zinc/49/77/28/599497728.db2.gz YMAVGSQFXRSDRB-UHFFFAOYSA-N -1 1 389.423 1.540 20 0 GDADMM CN(C[C@@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CCO1)c1cccnn1 ZINC000821598092 607382361 /nfs/dbraw/zinc/38/23/61/607382361.db2.gz QLRNCOXOKUKPFH-LLVKDONJSA-N -1 1 387.835 1.047 20 0 GDADMM CN(C[C@@H]1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CCO1)c1cccnn1 ZINC000821598092 607382363 /nfs/dbraw/zinc/38/23/63/607382363.db2.gz QLRNCOXOKUKPFH-LLVKDONJSA-N -1 1 387.835 1.047 20 0 GDADMM C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CCO1 ZINC000736291743 599593174 /nfs/dbraw/zinc/59/31/74/599593174.db2.gz YZVFPOJVDDDCNU-QMMMGPOBSA-N -1 1 377.348 1.295 20 0 GDADMM O=S(=O)(N[C@H]1CCC[C@@H]1Cc1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738342234 599596459 /nfs/dbraw/zinc/59/64/59/599596459.db2.gz ICHHJDVQFNDFBQ-ZBFHGGJFSA-N -1 1 384.465 1.951 20 0 GDADMM O=S(=O)(N[C@H]1CCC[C@@H]1Cc1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738342234 599596460 /nfs/dbraw/zinc/59/64/60/599596460.db2.gz ICHHJDVQFNDFBQ-ZBFHGGJFSA-N -1 1 384.465 1.951 20 0 GDADMM O=C(C1CCC(=O)CC1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000823525946 599697018 /nfs/dbraw/zinc/69/70/18/599697018.db2.gz WGMBPGCZMMSDHN-UHFFFAOYSA-N -1 1 385.428 1.140 20 0 GDADMM CN(C)CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000737370793 599731402 /nfs/dbraw/zinc/73/14/02/599731402.db2.gz UMNSUOMXWYDDCB-UHFFFAOYSA-N -1 1 392.499 1.340 20 0 GDADMM COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NC[C@H](C)C(=O)[O-])cc1 ZINC000485943968 599778231 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/nfs/dbraw/zinc/14/31/15/602143115.db2.gz PLZOXOSHPUZXNN-OAHLLOKOSA-N -1 1 390.488 1.023 20 0 GDADMM COc1ccc(C(=O)N2CCOCC2)cc1NCc1ccnc(-c2nnn[n-]2)c1 ZINC000826187214 607549014 /nfs/dbraw/zinc/54/90/14/607549014.db2.gz GFTOKNYURJFUQS-UHFFFAOYSA-N -1 1 395.423 1.355 20 0 GDADMM COc1ccc(C(=O)N2CCOCC2)cc1NCc1ccnc(-c2nn[n-]n2)c1 ZINC000826187214 607549016 /nfs/dbraw/zinc/54/90/16/607549016.db2.gz GFTOKNYURJFUQS-UHFFFAOYSA-N -1 1 395.423 1.355 20 0 GDADMM CN1CCN(C[C@@H](NC(=O)N2CCCN(C(=O)[O-])CC2)c2ccccc2)CC1 ZINC000738012459 602225883 /nfs/dbraw/zinc/22/58/83/602225883.db2.gz AEQMXHVYEXRGMD-GOSISDBHSA-N -1 1 389.500 1.370 20 0 GDADMM Cc1cc2c[nH]nc2c(C(=O)N2CCC[C@H](C(=O)N3CCN(C(=O)[O-])CC3)C2)c1 ZINC000740052405 602247522 /nfs/dbraw/zinc/24/75/22/602247522.db2.gz BLNPJBYTGDFIDF-AWEZNQCLSA-N -1 1 399.451 1.546 20 0 GDADMM Fc1cnc(N2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)nc1 ZINC000826378302 607555279 /nfs/dbraw/zinc/55/52/79/607555279.db2.gz DBZZUFXPLHLKGY-UHFFFAOYSA-N -1 1 383.347 1.370 20 0 GDADMM CN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000830940989 602286790 /nfs/dbraw/zinc/28/67/90/602286790.db2.gz OSZYHKPREAVYTO-ZDUSSCGKSA-N -1 1 385.420 1.452 20 0 GDADMM O=C([O-])NCCCC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000739956617 602292415 /nfs/dbraw/zinc/29/24/15/602292415.db2.gz HYRXHMQXVVBGSX-UHFFFAOYSA-N -1 1 382.218 1.898 20 0 GDADMM O=C([O-])NCCCC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000739956617 602292417 /nfs/dbraw/zinc/29/24/17/602292417.db2.gz HYRXHMQXVVBGSX-UHFFFAOYSA-N -1 1 382.218 1.898 20 0 GDADMM C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000738622152 602381996 /nfs/dbraw/zinc/38/19/96/602381996.db2.gz CIMDRJOBKLNQQZ-ZBFHGGJFSA-N -1 1 391.468 1.653 20 0 GDADMM CN(CC1CCN(CC(=O)N2CCN(Cc3cccs3)CC2)CC1)C(=O)[O-] ZINC000739659323 602382038 /nfs/dbraw/zinc/38/20/38/602382038.db2.gz IMNNTAGZVBBOIX-UHFFFAOYSA-N -1 1 394.541 1.714 20 0 GDADMM C[C@H](NC(=O)[O-])C1CCN(C(=O)c2ccc(CN3CCN(C)CC3)cc2)CC1 ZINC000739011070 602460380 /nfs/dbraw/zinc/46/03/80/602460380.db2.gz VQSHUGMFQOLARA-INIZCTEOSA-N -1 1 388.512 1.942 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738626474 602530478 /nfs/dbraw/zinc/53/04/78/602530478.db2.gz UWUHPIPKVYJTGF-QLFBSQMISA-N -1 1 377.441 1.263 20 0 GDADMM C[C@@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737560587 602536739 /nfs/dbraw/zinc/53/67/39/602536739.db2.gz RZZYDLXYKQTMGA-HOCLYGCPSA-N -1 1 391.468 1.748 20 0 GDADMM CN(C[C@H]1CCN(CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)C1)C(=O)[O-] ZINC000739660567 602538834 /nfs/dbraw/zinc/53/88/34/602538834.db2.gz JNIMKYMAJMKPRE-GFCCVEGCSA-N -1 1 392.412 1.038 20 0 GDADMM CCCN(CC(=O)N[C@H](C(=O)NC)c1ccccc1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739353582 602542746 /nfs/dbraw/zinc/54/27/46/602542746.db2.gz KDZHRUKGVXVZFN-WBVHZDCISA-N -1 1 376.457 1.054 20 0 GDADMM CCCN(CC(=O)NCc1cnn(-c2ccccc2)c1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739354312 602543904 /nfs/dbraw/zinc/54/39/04/602543904.db2.gz QITCTKVXHDUMIL-GOSISDBHSA-N -1 1 385.468 1.953 20 0 GDADMM CN(C(=O)[O-])C1CCN(C(=O)[C@H](c2ccccc2)N2CCC(O)CC2)CC1 ZINC000737927028 602547911 /nfs/dbraw/zinc/54/79/11/602547911.db2.gz DWUIYNCIDNHEBH-SFHVURJKSA-N -1 1 375.469 1.785 20 0 GDADMM Cc1ccc(OCCNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826292190 607577449 /nfs/dbraw/zinc/57/74/49/607577449.db2.gz LIXFXYKVCCBMPW-UHFFFAOYSA-N -1 1 377.401 1.672 20 0 GDADMM Cc1ccc(OCCNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826292190 607577451 /nfs/dbraw/zinc/57/74/51/607577451.db2.gz LIXFXYKVCCBMPW-UHFFFAOYSA-N -1 1 377.401 1.672 20 0 GDADMM O=C([O-])N1CCCC[C@H]1CNC(=O)N1CCC(CCN2CCOCC2)CC1 ZINC000740412242 602625482 /nfs/dbraw/zinc/62/54/82/602625482.db2.gz HXUAYUZLQQQTMI-KRWDZBQOSA-N -1 1 382.505 1.663 20 0 GDADMM CN(CC(=O)N1CCCc2cc(CNC(=O)[O-])ccc21)c1ncnc2[nH]cnc21 ZINC000739620038 602644536 /nfs/dbraw/zinc/64/45/36/602644536.db2.gz KINLSWAWHJFAAD-UHFFFAOYSA-N -1 1 395.423 1.536 20 0 GDADMM COC(=O)C(C)(C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826098323 607583213 /nfs/dbraw/zinc/58/32/13/607583213.db2.gz ARABVBQPWXJGSB-UHFFFAOYSA-N -1 1 393.347 1.115 20 0 GDADMM C[C@@H]1CCCC[C@H]1OCCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824941715 607588235 /nfs/dbraw/zinc/58/82/35/607588235.db2.gz ZOFSPIVAEMSIJJ-BXUZGUMPSA-N -1 1 383.449 1.879 20 0 GDADMM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000829175120 602874323 /nfs/dbraw/zinc/87/43/23/602874323.db2.gz YHDDNWSTPRVLEX-NSHDSACASA-N -1 1 384.864 1.804 20 0 GDADMM COc1ccccc1[C@@H](NC(=O)[O-])C(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000739969242 602886284 /nfs/dbraw/zinc/88/62/84/602886284.db2.gz WVUZIUWLFBGADT-WMLDXEAASA-N -1 1 379.457 1.477 20 0 GDADMM Nc1ccc(Br)cc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826395849 607594676 /nfs/dbraw/zinc/59/46/76/607594676.db2.gz VLABNUGMVCNDPW-UHFFFAOYSA-N -1 1 375.186 1.963 20 0 GDADMM Nc1ccc(Br)cc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826395849 607594677 /nfs/dbraw/zinc/59/46/77/607594677.db2.gz VLABNUGMVCNDPW-UHFFFAOYSA-N -1 1 375.186 1.963 20 0 GDADMM O=C([O-])N1CC[C@H](CN2CCN(CC(=O)Nc3ccccc3Cl)CC2)C1 ZINC000740373624 602976252 /nfs/dbraw/zinc/97/62/52/602976252.db2.gz OJLVGOFLYWIAME-CQSZACIVSA-N -1 1 380.876 1.896 20 0 GDADMM O=S(=O)(N[C@@H]1C[C@H]1c1cccc(F)c1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826488389 607599294 /nfs/dbraw/zinc/59/92/94/607599294.db2.gz ONLVDOIGHCNBTM-WCQYABFASA-N -1 1 377.376 1.979 20 0 GDADMM O=S(=O)(N[C@@H]1C[C@H]1c1cccc(F)c1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826488389 607599296 /nfs/dbraw/zinc/59/92/96/607599296.db2.gz ONLVDOIGHCNBTM-WCQYABFASA-N -1 1 377.376 1.979 20 0 GDADMM C[C@H](NC(=O)CN1CCN(C(=O)[O-])CC1=O)c1nc2ccc(Cl)cc2[nH]1 ZINC000738963675 603005913 /nfs/dbraw/zinc/00/59/13/603005913.db2.gz YHFXOVXTKRIMFY-VIFPVBQESA-N -1 1 379.804 1.216 20 0 GDADMM O=S(=O)(NCc1ccccc1-n1cccn1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826491901 607601237 /nfs/dbraw/zinc/60/12/37/607601237.db2.gz JDXFOVYIJJWQSV-UHFFFAOYSA-N -1 1 399.411 1.670 20 0 GDADMM C[C@H](NC(=O)C(=O)Nc1ccn(-c2ccncc2)n1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738953560 603044333 /nfs/dbraw/zinc/04/43/33/603044333.db2.gz ZLRPEMHBBOTBEI-STQMWFEESA-N -1 1 386.412 1.101 20 0 GDADMM CC[C@@H]1CN(C(=O)[C@@H](NC(=O)[O-])c2cccc(Cl)c2)CCN1C[C@H](C)O ZINC000826675885 603058007 /nfs/dbraw/zinc/05/80/07/603058007.db2.gz SUHANRKUZOUQPG-MAZHCROVSA-N -1 1 383.876 1.952 20 0 GDADMM CC(C)[C@@](C)(CNC(=O)[O-])NC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000738767371 603058754 /nfs/dbraw/zinc/05/87/54/603058754.db2.gz PUULOPMDLVYSAR-QGZVFWFLSA-N -1 1 378.454 1.634 20 0 GDADMM C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)C(=O)N1CCCC[C@@H]1C ZINC000824641564 607604037 /nfs/dbraw/zinc/60/40/37/607604037.db2.gz WXJWDLDCUSOQRM-WDEREUQCSA-N -1 1 396.448 1.074 20 0 GDADMM C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)C(=O)N1CCCC[C@@H]1C ZINC000824641564 607604039 /nfs/dbraw/zinc/60/40/39/607604039.db2.gz WXJWDLDCUSOQRM-WDEREUQCSA-N -1 1 396.448 1.074 20 0 GDADMM COC[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000826151429 607604918 /nfs/dbraw/zinc/60/49/18/607604918.db2.gz ARXIJGAHPXCWJA-CQSZACIVSA-N -1 1 377.401 1.672 20 0 GDADMM Cc1noc(CCCNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)n1 ZINC000826339428 607605421 /nfs/dbraw/zinc/60/54/21/607605421.db2.gz DGOOPOYEWNNHMT-UHFFFAOYSA-N -1 1 383.821 1.123 20 0 GDADMM Cc1noc(CCCNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)n1 ZINC000826339428 607605423 /nfs/dbraw/zinc/60/54/23/607605423.db2.gz DGOOPOYEWNNHMT-UHFFFAOYSA-N -1 1 383.821 1.123 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCC[C@@H](C2OCCO2)C1 ZINC000826495222 607606092 /nfs/dbraw/zinc/60/60/92/607606092.db2.gz HSAFLXFPJRIEJC-SNVBAGLBSA-N -1 1 399.860 1.294 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCC[C@@H](C2OCCO2)C1 ZINC000826495222 607606094 /nfs/dbraw/zinc/60/60/94/607606094.db2.gz HSAFLXFPJRIEJC-SNVBAGLBSA-N -1 1 399.860 1.294 20 0 GDADMM Cc1ccc(C(N)=O)cc1OS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826284118 607608174 /nfs/dbraw/zinc/60/81/74/607608174.db2.gz KSHGRDXIKFDOTB-UHFFFAOYSA-N -1 1 393.812 1.695 20 0 GDADMM CC(C)[C@](C)(CNC(=O)[O-])NC(=O)CCNC(=O)c1n[nH]c2ccccc21 ZINC000738766418 603122586 /nfs/dbraw/zinc/12/25/86/603122586.db2.gz AKWWSNHBLQKKLW-SFHVURJKSA-N -1 1 375.429 1.481 20 0 GDADMM O=S(=O)(N[C@@H]1CCN(c2ccccc2)C1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826488016 607610428 /nfs/dbraw/zinc/61/04/28/607610428.db2.gz GRSNJGIGSKOXKP-GFCCVEGCSA-N -1 1 388.428 1.563 20 0 GDADMM O=S(=O)(N[C@@H]1CCN(c2ccccc2)C1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826488016 607610429 /nfs/dbraw/zinc/61/04/29/607610429.db2.gz GRSNJGIGSKOXKP-GFCCVEGCSA-N -1 1 388.428 1.563 20 0 GDADMM COCC(=O)Nc1ccc(OS(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000826147661 607615282 /nfs/dbraw/zinc/61/52/82/607615282.db2.gz GTYCHYRROAKHQA-UHFFFAOYSA-N -1 1 389.393 1.219 20 0 GDADMM CCNC(=O)c1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000825476206 607616752 /nfs/dbraw/zinc/61/67/52/607616752.db2.gz CBIXNIYBYYSIIF-UHFFFAOYSA-N -1 1 391.384 1.523 20 0 GDADMM CCNC(=O)c1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000825476206 607616753 /nfs/dbraw/zinc/61/67/53/607616753.db2.gz CBIXNIYBYYSIIF-UHFFFAOYSA-N -1 1 391.384 1.523 20 0 GDADMM C[C@@H]1CN(Cc2ccc(CNC(=O)[C@@H]3CCN(C(=O)[O-])C3)cc2)C[C@@H](C)O1 ZINC000739188431 603275518 /nfs/dbraw/zinc/27/55/18/603275518.db2.gz YCGYRWAAIJCHQQ-IIDMSEBBSA-N -1 1 375.469 1.912 20 0 GDADMM Cc1nc2n(c1C)CCN(S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)C2 ZINC000826329042 607622141 /nfs/dbraw/zinc/62/21/41/607622141.db2.gz OEWSOZZPJTWAAJ-UHFFFAOYSA-N -1 1 377.405 1.024 20 0 GDADMM Cc1nc2n(c1C)CCN(S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)C2 ZINC000826329042 607622143 /nfs/dbraw/zinc/62/21/43/607622143.db2.gz OEWSOZZPJTWAAJ-UHFFFAOYSA-N -1 1 377.405 1.024 20 0 GDADMM O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCN(c2ccc(O)cc2)CC1 ZINC000832757531 603397363 /nfs/dbraw/zinc/39/73/63/603397363.db2.gz HXVITIJNVVRAPI-PMACEKPBSA-N -1 1 385.464 1.754 20 0 GDADMM C[C@@H]1CN(CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CC[C@@H]1NC(=O)[O-] ZINC000739173003 603413698 /nfs/dbraw/zinc/41/36/98/603413698.db2.gz MPXVLRIYRPQFHV-COXVUDFISA-N -1 1 379.432 1.704 20 0 GDADMM C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739179790 603414011 /nfs/dbraw/zinc/41/40/11/603414011.db2.gz XGWFSLLTSSPJES-KLHDSHLOSA-N -1 1 391.468 1.651 20 0 GDADMM Cc1nc([C@@H]2CN(C(=O)Nc3cccc(OCCNC(=O)[O-])c3)CCO2)n[nH]1 ZINC000830677889 603454686 /nfs/dbraw/zinc/45/46/86/603454686.db2.gz KORWVWDAGJVDNV-AWEZNQCLSA-N -1 1 390.400 1.365 20 0 GDADMM CC(C)[C@H](CNC(=O)NCCc1ccc(NC(=O)[O-])cc1)N1CCN(C)CC1 ZINC000736351728 603482476 /nfs/dbraw/zinc/48/24/76/603482476.db2.gz GXEVQDIQHFCHSM-SFHVURJKSA-N -1 1 391.516 1.890 20 0 GDADMM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)CSc1n[nH]c(=S)s1 ZINC000826115689 603492414 /nfs/dbraw/zinc/49/24/14/603492414.db2.gz JVZFCOWPMNAQBS-NKWVEPMBSA-N -1 1 378.501 1.539 20 0 GDADMM CCCc1nc([C@H]2CN(C(=O)NCC[C@H]3CCN(C(=O)[O-])C3)CCO2)n[nH]1 ZINC000826954565 603499796 /nfs/dbraw/zinc/49/97/96/603499796.db2.gz RTBRYHSHJIUFQL-QWHCGFSZSA-N -1 1 380.449 1.230 20 0 GDADMM CCCc1n[nH]c([C@H]2CN(C(=O)NCC[C@H]3CCN(C(=O)[O-])C3)CCO2)n1 ZINC000826954565 603499804 /nfs/dbraw/zinc/49/98/04/603499804.db2.gz RTBRYHSHJIUFQL-QWHCGFSZSA-N -1 1 380.449 1.230 20 0 GDADMM C[C@@H](C(=O)N1CCN(C2CCOCC2)CC1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823668101 603512961 /nfs/dbraw/zinc/51/29/61/603512961.db2.gz BROWGLMPOAANMS-QAPCUYQASA-N -1 1 375.469 1.955 20 0 GDADMM CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)[O-] ZINC000828043022 603563196 /nfs/dbraw/zinc/56/31/96/603563196.db2.gz YDDVWEOIEWCLJB-UKRRQHHQSA-N -1 1 391.472 1.795 20 0 GDADMM O=C([O-])NC[C@H]1CCCC[C@]12NC(=O)N(CN1CCC3(CCCC3)C1)C2=O ZINC000832500976 603609433 /nfs/dbraw/zinc/60/94/33/603609433.db2.gz ZYWFBXLVVRIDND-KUHUBIRLSA-N -1 1 378.473 1.958 20 0 GDADMM O=C([O-])NC1(CNC(=O)N2CCN(C[C@H]3CCOC3)CC2)CCCCCC1 ZINC000832219867 603628023 /nfs/dbraw/zinc/62/80/23/603628023.db2.gz UWNKSKLKUUXNCF-MRXNPFEDSA-N -1 1 382.505 1.711 20 0 GDADMM CCOC(=O)CN(CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)C(C)(C)C ZINC000825512190 607642232 /nfs/dbraw/zinc/64/22/32/607642232.db2.gz XRGXORWGYGTFOO-UHFFFAOYSA-N -1 1 378.433 1.679 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccc3c(c2)[nH]c(=S)n(C)c3=O)[C@H]1CNC(=O)[O-] ZINC000825918585 603692830 /nfs/dbraw/zinc/69/28/30/603692830.db2.gz GHQNHKLCHURDHT-YGRLFVJLSA-N -1 1 390.465 1.731 20 0 GDADMM CC[C@H](O)CCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825154992 607645924 /nfs/dbraw/zinc/64/59/24/607645924.db2.gz WXEMTLIGSMDZKI-JTQLQIEISA-N -1 1 393.391 1.715 20 0 GDADMM CCN(Cc1cccc(NC(=O)C(=O)N[C@H]2CCCN(CC)C2)c1)C(=O)[O-] ZINC000827214937 603701751 /nfs/dbraw/zinc/70/17/51/603701751.db2.gz KTKWNNUEMKQOOA-INIZCTEOSA-N -1 1 376.457 1.726 20 0 GDADMM C[C@@H](NC(=O)[O-])[C@H]1CCCCN1C(=O)CCN1CCN(c2ccccn2)CC1 ZINC000825191705 603718078 /nfs/dbraw/zinc/71/80/78/603718078.db2.gz AKWPFGQHVAUZJT-IAGOWNOFSA-N -1 1 389.500 1.631 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCSc2ncccc21 ZINC000826495170 607648311 /nfs/dbraw/zinc/64/83/11/607648311.db2.gz FWISOGJNBUZDSB-UHFFFAOYSA-N -1 1 378.414 1.702 20 0 GDADMM CCN(Cc1cccc(NC(=O)C(=O)N2CC[C@H](N3CC=CC3)C2)c1)C(=O)[O-] ZINC000827162532 603735678 /nfs/dbraw/zinc/73/56/78/603735678.db2.gz XLVNOIOPYMAFNN-KRWDZBQOSA-N -1 1 386.452 1.598 20 0 GDADMM C[C@H](NC(=O)[O-])C1CCN(C(=O)CCN2CCN(c3ccccn3)CC2)CC1 ZINC000825281809 603766196 /nfs/dbraw/zinc/76/61/96/603766196.db2.gz WMHJQHBQJWOJDS-INIZCTEOSA-N -1 1 389.500 1.488 20 0 GDADMM C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)N1CC[C@H](N(C)C(=O)[O-])C1 ZINC000823677796 603840515 /nfs/dbraw/zinc/84/05/15/603840515.db2.gz OBWKMLFSCMVCQP-GJZGRUSLSA-N -1 1 376.457 1.113 20 0 GDADMM CC(C)(CCO)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824152948 607655666 /nfs/dbraw/zinc/65/56/66/607655666.db2.gz VISLWECHOFXMSF-UHFFFAOYSA-N -1 1 393.391 1.572 20 0 GDADMM COCCC(C)(C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826153442 607659144 /nfs/dbraw/zinc/65/91/44/607659144.db2.gz NRTANFOHJOVFFG-UHFFFAOYSA-N -1 1 393.391 1.979 20 0 GDADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)c3cnn4cccnc34)cc2)n1 ZINC000832730245 603913744 /nfs/dbraw/zinc/91/37/44/603913744.db2.gz PLKDCOKDOUGXNG-UHFFFAOYSA-N -1 1 378.352 1.534 20 0 GDADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)c3cnn4cccnc34)cc2)n[nH]1 ZINC000832730245 603913745 /nfs/dbraw/zinc/91/37/45/603913745.db2.gz PLKDCOKDOUGXNG-UHFFFAOYSA-N -1 1 378.352 1.534 20 0 GDADMM C[C@@H](NC(=O)CN(C[C@H]1CCCO1)C(=O)[O-])C1(N2CCOCC2)CCCC1 ZINC000825114287 603923105 /nfs/dbraw/zinc/92/31/05/603923105.db2.gz CIMGKXGPAPBSPJ-HZPDHXFCSA-N -1 1 383.489 1.295 20 0 GDADMM CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)N2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])C1 ZINC000827297234 603971402 /nfs/dbraw/zinc/97/14/02/603971402.db2.gz JLCGJSDBIBTTBZ-QXSJWSMHSA-N -1 1 381.473 1.393 20 0 GDADMM COc1cccc(OC)c1OC[C@H](O)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000829575794 603977197 /nfs/dbraw/zinc/97/71/97/603977197.db2.gz KZSZPIQTRHWNSY-QLFBSQMISA-N -1 1 380.441 1.660 20 0 GDADMM Cc1cc(C)c(NC(=O)CNC(=O)CN(C)C2CCN(C(=O)[O-])CC2)c(C)c1 ZINC000829991696 603989225 /nfs/dbraw/zinc/98/92/25/603989225.db2.gz WEOXMXBSKDPOGW-UHFFFAOYSA-N -1 1 390.484 1.741 20 0 GDADMM CCCCC[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)C(=O)OC ZINC000825268816 607665587 /nfs/dbraw/zinc/66/55/87/607665587.db2.gz ZBXCYJRJBRIDKL-NSHDSACASA-N -1 1 385.421 1.406 20 0 GDADMM CCCCC[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)C(=O)OC ZINC000825268816 607665588 /nfs/dbraw/zinc/66/55/88/607665588.db2.gz ZBXCYJRJBRIDKL-NSHDSACASA-N -1 1 385.421 1.406 20 0 GDADMM O=S(=O)(NC[C@H]1CSCCS1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826490990 607666407 /nfs/dbraw/zinc/66/64/07/607666407.db2.gz PNJSELYOTOLNOW-QMMMGPOBSA-N -1 1 375.476 1.133 20 0 GDADMM O=S(=O)(NC[C@H]1CSCCS1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826490990 607666408 /nfs/dbraw/zinc/66/64/08/607666408.db2.gz PNJSELYOTOLNOW-QMMMGPOBSA-N -1 1 375.476 1.133 20 0 GDADMM CCOC(=O)[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)C(C)(C)C ZINC000825553405 607667738 /nfs/dbraw/zinc/66/77/38/607667738.db2.gz PRBGWEUSCQMTQK-GFCCVEGCSA-N -1 1 385.421 1.262 20 0 GDADMM CCOC(=O)[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)C(C)(C)C ZINC000825553405 607667739 /nfs/dbraw/zinc/66/77/39/607667739.db2.gz PRBGWEUSCQMTQK-GFCCVEGCSA-N -1 1 385.421 1.262 20 0 GDADMM COc1cc(C)ccc1CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826178321 607669670 /nfs/dbraw/zinc/66/96/70/607669670.db2.gz SJHAOTPKZLKPPL-UHFFFAOYSA-N -1 1 377.401 1.801 20 0 GDADMM COc1cc(C)ccc1CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826178321 607669672 /nfs/dbraw/zinc/66/96/72/607669672.db2.gz SJHAOTPKZLKPPL-UHFFFAOYSA-N -1 1 377.401 1.801 20 0 GDADMM CC(C)(CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)[C@@H]1CCCCO1 ZINC000824158433 607670237 /nfs/dbraw/zinc/67/02/37/607670237.db2.gz WTIROCACZLASCQ-AWEZNQCLSA-N -1 1 383.449 1.879 20 0 GDADMM CC[C@H](CO)N1CCN(C(=O)Nc2cccc(OCCNC(=O)[O-])c2)CC1 ZINC000826587367 604098441 /nfs/dbraw/zinc/09/84/41/604098441.db2.gz SWFTXUGTWRUWIS-OAHLLOKOSA-N -1 1 380.445 1.253 20 0 GDADMM COC(=O)CN(C1CCCC1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826138277 607671808 /nfs/dbraw/zinc/67/18/08/607671808.db2.gz NINSBBUJMYWBLI-UHFFFAOYSA-N -1 1 399.860 1.626 20 0 GDADMM COC(=O)CN(C1CCCC1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826138277 607671810 /nfs/dbraw/zinc/67/18/10/607671810.db2.gz NINSBBUJMYWBLI-UHFFFAOYSA-N -1 1 399.860 1.626 20 0 GDADMM C[C@@H]1CN(C(=O)N[C@H](CN2CCN(C)CC2)c2ccccc2)CCN1C(=O)[O-] ZINC000825989681 604105888 /nfs/dbraw/zinc/10/58/88/604105888.db2.gz XBONZCJYSJKIGQ-SJLPKXTDSA-N -1 1 389.500 1.369 20 0 GDADMM O=S(=O)(N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826488214 607672835 /nfs/dbraw/zinc/67/28/35/607672835.db2.gz KPYBICDDEVLCBW-WCQGTBRESA-N -1 1 383.861 1.756 20 0 GDADMM O=S(=O)(N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826488214 607672837 /nfs/dbraw/zinc/67/28/37/607672837.db2.gz KPYBICDDEVLCBW-WCQGTBRESA-N -1 1 383.861 1.756 20 0 GDADMM COc1cc(NC(=O)N2CCN(C[C@H]3CCOC3)CC2)ccc1NC(=O)[O-] ZINC000829159309 604128967 /nfs/dbraw/zinc/12/89/67/604128967.db2.gz QAYHLNSLRIVRBM-CYBMUJFWSA-N -1 1 378.429 1.971 20 0 GDADMM C[C@H](NC(=O)[O-])[C@H]1CCCN(CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000825256380 604192483 /nfs/dbraw/zinc/19/24/83/604192483.db2.gz XACBIAKTVWULMK-HOTGVXAUSA-N -1 1 392.475 1.842 20 0 GDADMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(C(=O)c2ccnc(N3CCN(C)CC3)c2)C1 ZINC000825245035 604200318 /nfs/dbraw/zinc/20/03/18/604200318.db2.gz MEDZKIOFVPANCW-ZBFHGGJFSA-N -1 1 375.473 1.342 20 0 GDADMM CC[C@H]1CN(C(=O)NC[C@H](NC(=O)[O-])c2ccccc2)CCN1CCOC ZINC000826683516 604219039 /nfs/dbraw/zinc/21/90/39/604219039.db2.gz WCBPSMWJWXHBHU-IRXDYDNUSA-N -1 1 378.473 1.748 20 0 GDADMM CC(=O)N1CCCN([C@@H]2CN(C(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)C[C@@H]2C)CC1 ZINC000825834406 604324936 /nfs/dbraw/zinc/32/49/36/604324936.db2.gz PGANPVVVUBVDOB-XOYOTBSWSA-N -1 1 379.501 1.279 20 0 GDADMM CN(C)CCCN(C(=O)c1ccc(C(=O)[O-])c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000830600898 604333075 /nfs/dbraw/zinc/33/30/75/604333075.db2.gz REMYLYNWAYGOBO-CYBMUJFWSA-N -1 1 386.445 1.105 20 0 GDADMM O=C([O-])[C@H](c1cccc(Cl)c1)N1CCN(C[C@H](O)Cn2cccn2)CC1 ZINC000833173836 604358171 /nfs/dbraw/zinc/35/81/71/604358171.db2.gz WMFRWDNMLARHJK-IRXDYDNUSA-N -1 1 378.860 1.341 20 0 GDADMM C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(-n3[n-]c(CC(=O)[O-])cc3=O)cc2)C1 ZINC000830928078 604373530 /nfs/dbraw/zinc/37/35/30/604373530.db2.gz GPRZRWYWZPFNAR-QAPCUYQASA-N -1 1 398.463 1.349 20 0 GDADMM C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(-n3[n-]c(CC(=O)[O-])cc3=O)cc2)C1 ZINC000830928078 604373534 /nfs/dbraw/zinc/37/35/34/604373534.db2.gz GPRZRWYWZPFNAR-QAPCUYQASA-N -1 1 398.463 1.349 20 0 GDADMM Cn1cnc(S(=O)(=O)[N-]C2(c3cccc(-c4nn[nH]n4)c3)CC2)c1Cl ZINC000826364930 607691558 /nfs/dbraw/zinc/69/15/58/607691558.db2.gz RZYIOMHBGCQPFB-UHFFFAOYSA-N -1 1 379.833 1.221 20 0 GDADMM C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)CN(C)c2ncnc3[nH]cnc32)cc1 ZINC000825378205 604445427 /nfs/dbraw/zinc/44/54/27/604445427.db2.gz SPIUEGHHTDTVEY-LLVKDONJSA-N -1 1 383.412 1.434 20 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OXRBZBBMTXIYRE-ZDUSSCGKSA-N -1 1 391.497 1.869 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)NCc1ccccc1F ZINC000820512980 606133868 /nfs/dbraw/zinc/13/38/68/606133868.db2.gz RFMFDLNDIOWSMS-SECBINFHSA-N -1 1 375.385 1.929 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)NCc1ccccc1F ZINC000820512980 606133869 /nfs/dbraw/zinc/13/38/69/606133869.db2.gz RFMFDLNDIOWSMS-SECBINFHSA-N -1 1 375.385 1.929 20 0 GDADMM Cc1cc(NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)n(C(C)(C)C)n1 ZINC000822208291 606136741 /nfs/dbraw/zinc/13/67/41/606136741.db2.gz KXMRUYISEYLGGR-UHFFFAOYSA-N -1 1 389.441 1.984 20 0 GDADMM Cc1cc(NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)n(C(C)(C)C)n1 ZINC000822208291 606136742 /nfs/dbraw/zinc/13/67/42/606136742.db2.gz KXMRUYISEYLGGR-UHFFFAOYSA-N -1 1 389.441 1.984 20 0 GDADMM COc1cccc(CNC(=O)[C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821867603 606139661 /nfs/dbraw/zinc/13/96/61/606139661.db2.gz FTYHYZCSFGXHBW-SNVBAGLBSA-N -1 1 387.421 1.799 20 0 GDADMM COc1cccc(CNC(=O)[C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821867603 606139662 /nfs/dbraw/zinc/13/96/62/606139662.db2.gz FTYHYZCSFGXHBW-SNVBAGLBSA-N -1 1 387.421 1.799 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@@]2(CCCOC2)C1 ZINC000823600622 606147130 /nfs/dbraw/zinc/14/71/30/606147130.db2.gz JATQGMBVXHHTMK-MRXNPFEDSA-N -1 1 381.433 1.587 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H](c2ccccc2)C2CCOCC2)n1 ZINC000822609113 606155413 /nfs/dbraw/zinc/15/54/13/606155413.db2.gz KAZBLTUASISYIJ-HNNXBMFYSA-N -1 1 382.428 1.890 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H](c2ccccc2)C2CCOCC2)n1 ZINC000822609113 606155414 /nfs/dbraw/zinc/15/54/14/606155414.db2.gz KAZBLTUASISYIJ-HNNXBMFYSA-N -1 1 382.428 1.890 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)n1 ZINC000822609638 606155673 /nfs/dbraw/zinc/15/56/73/606155673.db2.gz SQWKMQGGVOVTCM-GFCCVEGCSA-N -1 1 398.402 1.866 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)n1 ZINC000822609638 606155675 /nfs/dbraw/zinc/15/56/75/606155675.db2.gz SQWKMQGGVOVTCM-GFCCVEGCSA-N -1 1 398.402 1.866 20 0 GDADMM CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC000821014544 606156682 /nfs/dbraw/zinc/15/66/82/606156682.db2.gz IPVAQCKJVBTNQI-VXGBXAGGSA-N -1 1 389.464 1.149 20 0 GDADMM CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC000821014544 606156685 /nfs/dbraw/zinc/15/66/85/606156685.db2.gz IPVAQCKJVBTNQI-VXGBXAGGSA-N -1 1 389.464 1.149 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC2(c3cccc(F)c3)CCOCC2)n1 ZINC000822609620 606158595 /nfs/dbraw/zinc/15/85/95/606158595.db2.gz SBOYCIGCVBSICP-UHFFFAOYSA-N -1 1 386.391 1.567 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC2(c3cccc(F)c3)CCOCC2)n1 ZINC000822609620 606158597 /nfs/dbraw/zinc/15/85/97/606158597.db2.gz SBOYCIGCVBSICP-UHFFFAOYSA-N -1 1 386.391 1.567 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)Nc2cccc(CN3CCOC3=O)c2)n1 ZINC000822620222 606159155 /nfs/dbraw/zinc/15/91/55/606159155.db2.gz MNIADAYIQZBXFO-UHFFFAOYSA-N -1 1 383.372 1.196 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)Nc2cccc(CN3CCOC3=O)c2)n1 ZINC000822620222 606159157 /nfs/dbraw/zinc/15/91/57/606159157.db2.gz MNIADAYIQZBXFO-UHFFFAOYSA-N -1 1 383.372 1.196 20 0 GDADMM C[C@H]1CN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C[C@@H](c2ccc(F)cc2)O1 ZINC000820744518 606161090 /nfs/dbraw/zinc/16/10/90/606161090.db2.gz YIYSMPAIIYDTAO-HZMBPMFUSA-N -1 1 386.391 1.733 20 0 GDADMM C[C@H]1CN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C[C@@H](c2ccc(F)cc2)O1 ZINC000820744518 606161091 /nfs/dbraw/zinc/16/10/91/606161091.db2.gz YIYSMPAIIYDTAO-HZMBPMFUSA-N -1 1 386.391 1.733 20 0 GDADMM CCO[C@@H](C)c1nc(CN(C)C(=O)Nc2nn(C)cc2-c2nnn[n-]2)cs1 ZINC000821346078 606168394 /nfs/dbraw/zinc/16/83/94/606168394.db2.gz CNPGTSKHTWBHFI-VIFPVBQESA-N -1 1 391.461 1.818 20 0 GDADMM CCO[C@@H](C)c1nc(CN(C)C(=O)Nc2nn(C)cc2-c2nn[n-]n2)cs1 ZINC000821346078 606168395 /nfs/dbraw/zinc/16/83/95/606168395.db2.gz CNPGTSKHTWBHFI-VIFPVBQESA-N -1 1 391.461 1.818 20 0 GDADMM Cc1ccc(N2CCC[C@H](NC(=O)Nc3nn(C)cc3-c3nnn[n-]3)C2=O)cc1 ZINC000822241357 606168889 /nfs/dbraw/zinc/16/88/89/606168889.db2.gz SUPSWUBAADDSDT-AWEZNQCLSA-N -1 1 395.427 1.226 20 0 GDADMM Cc1ccc(N2CCC[C@H](NC(=O)Nc3nn(C)cc3-c3nn[n-]n3)C2=O)cc1 ZINC000822241357 606168890 /nfs/dbraw/zinc/16/88/90/606168890.db2.gz SUPSWUBAADDSDT-AWEZNQCLSA-N -1 1 395.427 1.226 20 0 GDADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(-n2cccn2)cc1 ZINC000820380019 606169441 /nfs/dbraw/zinc/16/94/41/606169441.db2.gz JWCVXUKFXZUSMU-LLVKDONJSA-N -1 1 378.400 1.669 20 0 GDADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(-n2cccn2)cc1 ZINC000820380019 606169442 /nfs/dbraw/zinc/16/94/42/606169442.db2.gz JWCVXUKFXZUSMU-LLVKDONJSA-N -1 1 378.400 1.669 20 0 GDADMM CN(C)[C@H](CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1c(F)cccc1F ZINC000821579909 606170094 /nfs/dbraw/zinc/17/00/94/606170094.db2.gz RTCOVNAHLXSXNZ-GFCCVEGCSA-N -1 1 391.386 1.303 20 0 GDADMM CN(C)[C@H](CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1c(F)cccc1F ZINC000821579909 606170095 /nfs/dbraw/zinc/17/00/95/606170095.db2.gz RTCOVNAHLXSXNZ-GFCCVEGCSA-N -1 1 391.386 1.303 20 0 GDADMM CCN(C(=O)Nc1nn(C)cc1-c1nnn[n-]1)[C@H]1CCN(c2ccccc2)C1=O ZINC000821154773 606171871 /nfs/dbraw/zinc/17/18/71/606171871.db2.gz RDWFSICKGLNQRP-AWEZNQCLSA-N -1 1 395.427 1.260 20 0 GDADMM CCN(C(=O)Nc1nn(C)cc1-c1nn[n-]n1)[C@H]1CCN(c2ccccc2)C1=O ZINC000821154773 606171872 /nfs/dbraw/zinc/17/18/72/606171872.db2.gz RDWFSICKGLNQRP-AWEZNQCLSA-N -1 1 395.427 1.260 20 0 GDADMM CCOC(=O)c1ccc(N2CCCN(c3cccc(-c4nnn[n-]4)n3)CC2)nc1 ZINC000821343161 606215184 /nfs/dbraw/zinc/21/51/84/606215184.db2.gz LBZGTTCMMQZCFK-UHFFFAOYSA-N -1 1 394.439 1.550 20 0 GDADMM CCOC(=O)c1ccc(N2CCCN(c3cccc(-c4nn[n-]n4)n3)CC2)nc1 ZINC000821343161 606215185 /nfs/dbraw/zinc/21/51/85/606215185.db2.gz LBZGTTCMMQZCFK-UHFFFAOYSA-N -1 1 394.439 1.550 20 0 GDADMM CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1 ZINC000821294719 606292905 /nfs/dbraw/zinc/29/29/05/606292905.db2.gz XOYOANVEDLACHE-UHFFFAOYSA-N -1 1 388.409 1.123 20 0 GDADMM CS(=O)(=O)Nc1cccc(CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1 ZINC000821938132 606295409 /nfs/dbraw/zinc/29/54/09/606295409.db2.gz XHCNRDHZRHERAX-UHFFFAOYSA-N -1 1 388.409 1.125 20 0 GDADMM CCC[C@@H](NC(=O)CCCCOc1cccc(-c2nn[nH]n2)c1)c1nn[n-]n1 ZINC000821021741 606341081 /nfs/dbraw/zinc/34/10/81/606341081.db2.gz ONQXOKNTMWCGPG-CQSZACIVSA-N -1 1 385.432 1.587 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCC(C)(C)S(C)(=O)=O ZINC000822535608 606367101 /nfs/dbraw/zinc/36/71/01/606367101.db2.gz YCZHYVLPADAOIZ-UHFFFAOYSA-N -1 1 392.441 1.112 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCC(C)(C)S(C)(=O)=O ZINC000822535608 606367102 /nfs/dbraw/zinc/36/71/02/606367102.db2.gz YCZHYVLPADAOIZ-UHFFFAOYSA-N -1 1 392.441 1.112 20 0 GDADMM O=C(COC(=O)[C@H]1C[C@H]1C1CC1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000823018558 606392188 /nfs/dbraw/zinc/39/21/88/606392188.db2.gz RRVOJXNLAMUCJB-KBPBESRZSA-N -1 1 393.407 1.580 20 0 GDADMM O=C(COC(=O)[C@H]1C[C@H]1C1CC1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000823018558 606392190 /nfs/dbraw/zinc/39/21/90/606392190.db2.gz RRVOJXNLAMUCJB-KBPBESRZSA-N -1 1 393.407 1.580 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)O[C@@H](C)Cn1cccn1 ZINC000822459724 606410514 /nfs/dbraw/zinc/41/05/14/606410514.db2.gz UITJSBIGROVAMB-NSHDSACASA-N -1 1 395.427 1.287 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)O[C@@H](C)Cn1cccn1 ZINC000822459724 606410516 /nfs/dbraw/zinc/41/05/16/606410516.db2.gz UITJSBIGROVAMB-NSHDSACASA-N -1 1 395.427 1.287 20 0 GDADMM CN1C(=O)N[C@@]2(CCC[C@@H]2CNc2snc(Cl)c2-c2nnn[n-]2)C1=O ZINC000821620906 606422953 /nfs/dbraw/zinc/42/29/53/606422953.db2.gz ZNQDYOYWLFEAEX-CAAJLBCPSA-N -1 1 382.837 1.109 20 0 GDADMM CN1C(=O)N[C@@]2(CCC[C@@H]2CNc2snc(Cl)c2-c2nn[n-]n2)C1=O ZINC000821620906 606422955 /nfs/dbraw/zinc/42/29/55/606422955.db2.gz ZNQDYOYWLFEAEX-CAAJLBCPSA-N -1 1 382.837 1.109 20 0 GDADMM CC[C@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)Oc1cccc(C)c1 ZINC000820907507 606435257 /nfs/dbraw/zinc/43/52/57/606435257.db2.gz DNELMVGKKCBQDE-CYBMUJFWSA-N -1 1 388.453 1.706 20 0 GDADMM CC[C@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)Oc1cccc(C)c1 ZINC000820907507 606435259 /nfs/dbraw/zinc/43/52/59/606435259.db2.gz DNELMVGKKCBQDE-CYBMUJFWSA-N -1 1 388.453 1.706 20 0 GDADMM CCO[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1(CC)CC ZINC000821358958 606436952 /nfs/dbraw/zinc/43/69/52/606436952.db2.gz LVXKKBQJADOYPM-HUUCEWRRSA-N -1 1 394.501 1.866 20 0 GDADMM CCO[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1(CC)CC ZINC000821358958 606436953 /nfs/dbraw/zinc/43/69/53/606436953.db2.gz LVXKKBQJADOYPM-HUUCEWRRSA-N -1 1 394.501 1.866 20 0 GDADMM CCc1c(Cl)nc(C)nc1N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000821466680 606442978 /nfs/dbraw/zinc/44/29/78/606442978.db2.gz YVOAURMCEZQPLJ-UHFFFAOYSA-N -1 1 376.856 1.555 20 0 GDADMM CCc1c(Cl)nc(C)nc1N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000821466680 606442980 /nfs/dbraw/zinc/44/29/80/606442980.db2.gz YVOAURMCEZQPLJ-UHFFFAOYSA-N -1 1 376.856 1.555 20 0 GDADMM O=S(=O)(NC[C@@H]1SCCc2ccccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000823572479 606485186 /nfs/dbraw/zinc/48/51/86/606485186.db2.gz HXXWXWUAVNESFX-HNNXBMFYSA-N -1 1 388.478 1.571 20 0 GDADMM O=S(=O)(NC[C@@H]1SCCc2ccccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000823572479 606485187 /nfs/dbraw/zinc/48/51/87/606485187.db2.gz HXXWXWUAVNESFX-HNNXBMFYSA-N -1 1 388.478 1.571 20 0 GDADMM O=C(NCc1ccc(C(=O)N2CCOCC2)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823250447 606510557 /nfs/dbraw/zinc/51/05/57/606510557.db2.gz YAMLHGNQZFYLLB-UHFFFAOYSA-N -1 1 398.448 1.331 20 0 GDADMM O=C(NCc1ccc(C(=O)N2CCOCC2)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823250447 606510559 /nfs/dbraw/zinc/51/05/59/606510559.db2.gz YAMLHGNQZFYLLB-UHFFFAOYSA-N -1 1 398.448 1.331 20 0 GDADMM CCc1nc(CN2CCN(C(=O)c3ccc(-c4nnn[n-]4)s3)CC2)cs1 ZINC000821509987 606532386 /nfs/dbraw/zinc/53/23/86/606532386.db2.gz ROTTWSVWDNOFQW-UHFFFAOYSA-N -1 1 389.510 1.905 20 0 GDADMM CCc1nc(CN2CCN(C(=O)c3ccc(-c4nn[n-]n4)s3)CC2)cs1 ZINC000821509987 606532387 /nfs/dbraw/zinc/53/23/87/606532387.db2.gz ROTTWSVWDNOFQW-UHFFFAOYSA-N -1 1 389.510 1.905 20 0 GDADMM O=C(CC(F)(F)F)N1CCC(NC(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000823149641 606546467 /nfs/dbraw/zinc/54/64/67/606546467.db2.gz FCYWOLORRDSPDH-UHFFFAOYSA-N -1 1 388.375 1.601 20 0 GDADMM O=C(CC(F)(F)F)N1CCC(NC(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000823149641 606546469 /nfs/dbraw/zinc/54/64/69/606546469.db2.gz FCYWOLORRDSPDH-UHFFFAOYSA-N -1 1 388.375 1.601 20 0 GDADMM COC(=O)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)Cc1ccc(O)cc1 ZINC000821641097 606552614 /nfs/dbraw/zinc/55/26/14/606552614.db2.gz WDOBZYFEHCERFX-NSHDSACASA-N -1 1 387.421 1.396 20 0 GDADMM COC(=O)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)Cc1ccc(O)cc1 ZINC000821641097 606552615 /nfs/dbraw/zinc/55/26/15/606552615.db2.gz WDOBZYFEHCERFX-NSHDSACASA-N -1 1 387.421 1.396 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCN(C(=O)c2ccccc2O)CC1 ZINC000823484309 606592151 /nfs/dbraw/zinc/59/21/51/606592151.db2.gz VNKOELRCXRDRMQ-UHFFFAOYSA-N -1 1 384.421 1.232 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000823493744 606595533 /nfs/dbraw/zinc/59/55/33/606595533.db2.gz UIHDZHNBMKBXSR-UHFFFAOYSA-N -1 1 384.421 1.232 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000823493744 606595535 /nfs/dbraw/zinc/59/55/35/606595535.db2.gz UIHDZHNBMKBXSR-UHFFFAOYSA-N -1 1 384.421 1.232 20 0 GDADMM CCNc1ccc(-c2nn[nH]n2)cc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000821310122 606598804 /nfs/dbraw/zinc/59/88/04/606598804.db2.gz XBVKJXLMCDAQTD-UHFFFAOYSA-N -1 1 377.386 1.126 20 0 GDADMM COc1cc(OC)cc(OCCCN(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000821724118 606624664 /nfs/dbraw/zinc/62/46/64/606624664.db2.gz QMDIJRYOGKUKBA-UHFFFAOYSA-N -1 1 398.423 1.820 20 0 GDADMM COc1cc(OC)cc(OCCCN(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000821724118 606624667 /nfs/dbraw/zinc/62/46/67/606624667.db2.gz QMDIJRYOGKUKBA-UHFFFAOYSA-N -1 1 398.423 1.820 20 0 GDADMM Cc1ccc(CN2C[C@H](C(=O)OCc3ccnc(-c4nnn[n-]4)c3)CC2=O)cc1 ZINC000822237500 606647444 /nfs/dbraw/zinc/64/74/44/606647444.db2.gz XACZZMBJTCCAEV-MRXNPFEDSA-N -1 1 392.419 1.662 20 0 GDADMM Cc1ccc(CN2C[C@H](C(=O)OCc3ccnc(-c4nn[n-]n4)c3)CC2=O)cc1 ZINC000822237500 606647445 /nfs/dbraw/zinc/64/74/45/606647445.db2.gz XACZZMBJTCCAEV-MRXNPFEDSA-N -1 1 392.419 1.662 20 0 GDADMM C[C@H](C(=O)OCc1ccnc(-c2nnn[n-]2)c1)S(=O)(=O)c1ccc(F)cc1 ZINC000819882470 606648638 /nfs/dbraw/zinc/64/86/38/606648638.db2.gz AFLHHXYVSPWOIJ-SNVBAGLBSA-N -1 1 391.384 1.306 20 0 GDADMM C[C@H](C(=O)OCc1ccnc(-c2nn[n-]n2)c1)S(=O)(=O)c1ccc(F)cc1 ZINC000819882470 606648639 /nfs/dbraw/zinc/64/86/39/606648639.db2.gz AFLHHXYVSPWOIJ-SNVBAGLBSA-N -1 1 391.384 1.306 20 0 GDADMM CCCc1c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)[nH]c(C)c1C(=O)OC ZINC000821138911 606651792 /nfs/dbraw/zinc/65/17/92/606651792.db2.gz KIJHDQGATRMOQR-UHFFFAOYSA-N -1 1 384.396 1.994 20 0 GDADMM CCCc1c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)[nH]c(C)c1C(=O)OC ZINC000821138911 606651793 /nfs/dbraw/zinc/65/17/93/606651793.db2.gz KIJHDQGATRMOQR-UHFFFAOYSA-N -1 1 384.396 1.994 20 0 GDADMM CC(C)C(=O)Nc1nc(CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)cs1 ZINC000820012078 606652235 /nfs/dbraw/zinc/65/22/35/606652235.db2.gz TYAYXURCLQLLBV-UHFFFAOYSA-N -1 1 387.425 1.599 20 0 GDADMM CC(C)C(=O)Nc1nc(CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)cs1 ZINC000820012078 606652236 /nfs/dbraw/zinc/65/22/36/606652236.db2.gz TYAYXURCLQLLBV-UHFFFAOYSA-N -1 1 387.425 1.599 20 0 GDADMM CC1(C)CC(=O)c2cc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)c(=O)[nH]c2C1 ZINC000820583834 606652589 /nfs/dbraw/zinc/65/25/89/606652589.db2.gz FVLKTJJUTRPDPJ-UHFFFAOYSA-N -1 1 394.391 1.874 20 0 GDADMM CC1(C)CC(=O)c2cc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)c(=O)[nH]c2C1 ZINC000820583834 606652590 /nfs/dbraw/zinc/65/25/90/606652590.db2.gz FVLKTJJUTRPDPJ-UHFFFAOYSA-N -1 1 394.391 1.874 20 0 GDADMM CN1C(=O)CC[C@@H](C(=O)OCc2ccnc(-c3nnn[n-]3)c2)[C@@H]1c1ccccc1 ZINC000821618981 606653442 /nfs/dbraw/zinc/65/34/42/606653442.db2.gz DIIRSBFFPVTHLD-QAPCUYQASA-N -1 1 392.419 1.915 20 0 GDADMM CN1C(=O)CC[C@@H](C(=O)OCc2ccnc(-c3nn[n-]n3)c2)[C@@H]1c1ccccc1 ZINC000821618981 606653443 /nfs/dbraw/zinc/65/34/43/606653443.db2.gz DIIRSBFFPVTHLD-QAPCUYQASA-N -1 1 392.419 1.915 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OC[C@H]1CC(=O)N(C2CC2)C1 ZINC000822540644 606654875 /nfs/dbraw/zinc/65/48/75/606654875.db2.gz DOTXYDPWHWKDEX-LBPRGKRZSA-N -1 1 396.407 1.727 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OC[C@H]1CC(=O)N(C2CC2)C1 ZINC000822540644 606654876 /nfs/dbraw/zinc/65/48/76/606654876.db2.gz DOTXYDPWHWKDEX-LBPRGKRZSA-N -1 1 396.407 1.727 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCC[C@@H](O)c2ccccc2)cc1-c1nn[n-]n1 ZINC000821979220 606658557 /nfs/dbraw/zinc/65/85/57/606658557.db2.gz QBUOONDZCMZVHQ-CYBMUJFWSA-N -1 1 386.437 1.543 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000822005849 606754390 /nfs/dbraw/zinc/75/43/90/606754390.db2.gz ULPPOXQRNHQMMN-ZNMIVQPWSA-N -1 1 386.456 1.591 20 0 GDADMM COc1ccc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cc1 ZINC000821831550 606768165 /nfs/dbraw/zinc/76/81/65/606768165.db2.gz DMMVBAHZFOUDKS-GFCCVEGCSA-N -1 1 395.427 1.408 20 0 GDADMM COc1ccc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cc1 ZINC000821831550 606768167 /nfs/dbraw/zinc/76/81/67/606768167.db2.gz DMMVBAHZFOUDKS-GFCCVEGCSA-N -1 1 395.427 1.408 20 0 GDADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1cn(-c2ccccc2)nn1 ZINC000820380335 606771505 /nfs/dbraw/zinc/77/15/05/606771505.db2.gz QJXJZDDVANJJMZ-SNVBAGLBSA-N -1 1 379.388 1.064 20 0 GDADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1cn(-c2ccccc2)nn1 ZINC000820380335 606771506 /nfs/dbraw/zinc/77/15/06/606771506.db2.gz QJXJZDDVANJJMZ-SNVBAGLBSA-N -1 1 379.388 1.064 20 0 GDADMM Cc1ccc2nc(CN3CCN(c4nccnc4-c4nnn[n-]4)C[C@@H]3C)cn2c1 ZINC000822280490 606781201 /nfs/dbraw/zinc/78/12/01/606781201.db2.gz POSIDSXGGMVDIJ-AWEZNQCLSA-N -1 1 390.455 1.324 20 0 GDADMM Cc1ccc2nc(CN3CCN(c4nccnc4-c4nn[n-]n4)C[C@@H]3C)cn2c1 ZINC000822280490 606781202 /nfs/dbraw/zinc/78/12/02/606781202.db2.gz POSIDSXGGMVDIJ-AWEZNQCLSA-N -1 1 390.455 1.324 20 0 GDADMM CCC1CCC(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)CC1 ZINC000820973218 606789302 /nfs/dbraw/zinc/78/93/02/606789302.db2.gz VDFSCYCREWIAMH-NFOMZHRRSA-N -1 1 399.503 1.846 20 0 GDADMM CCC1CCC(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)CC1 ZINC000820973218 606789304 /nfs/dbraw/zinc/78/93/04/606789304.db2.gz VDFSCYCREWIAMH-NFOMZHRRSA-N -1 1 399.503 1.846 20 0 GDADMM C[C@@H](NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)C1CCCCC1 ZINC000820351734 606793382 /nfs/dbraw/zinc/79/33/82/606793382.db2.gz QXFOZASACRMXEZ-ZIAGYGMSSA-N -1 1 399.503 1.846 20 0 GDADMM C[C@@H](NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)C1CCCCC1 ZINC000820351734 606793384 /nfs/dbraw/zinc/79/33/84/606793384.db2.gz QXFOZASACRMXEZ-ZIAGYGMSSA-N -1 1 399.503 1.846 20 0 GDADMM O=C(CCc1ccccc1)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000823149816 606814562 /nfs/dbraw/zinc/81/45/62/606814562.db2.gz HGWZCJZOCOCGJO-AWEZNQCLSA-N -1 1 396.476 1.892 20 0 GDADMM O=C(CCc1ccccc1)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000823149816 606814564 /nfs/dbraw/zinc/81/45/64/606814564.db2.gz HGWZCJZOCOCGJO-AWEZNQCLSA-N -1 1 396.476 1.892 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CSc1ccccc1 ZINC000820774326 606818670 /nfs/dbraw/zinc/81/86/70/606818670.db2.gz AOIAUWDDJCLTDJ-ZDUSSCGKSA-N -1 1 396.480 1.486 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CSc1ccccc1 ZINC000820774326 606818672 /nfs/dbraw/zinc/81/86/72/606818672.db2.gz AOIAUWDDJCLTDJ-ZDUSSCGKSA-N -1 1 396.480 1.486 20 0 GDADMM C[C@H](CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1cccnc1 ZINC000820219163 606819631 /nfs/dbraw/zinc/81/96/31/606819631.db2.gz CSWAPJVUULTVBE-ZIAGYGMSSA-N -1 1 393.455 1.283 20 0 GDADMM C[C@H](CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1cccnc1 ZINC000820219163 606819633 /nfs/dbraw/zinc/81/96/33/606819633.db2.gz CSWAPJVUULTVBE-ZIAGYGMSSA-N -1 1 393.455 1.283 20 0 GDADMM Cc1noc(C)c1[C@@H](C)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000822519655 606820572 /nfs/dbraw/zinc/82/05/72/606820572.db2.gz KHBCCPARGWNPCV-WDEREUQCSA-N -1 1 397.443 1.102 20 0 GDADMM Cc1noc(C)c1[C@@H](C)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000822519655 606820573 /nfs/dbraw/zinc/82/05/73/606820573.db2.gz KHBCCPARGWNPCV-WDEREUQCSA-N -1 1 397.443 1.102 20 0 GDADMM C[C@H](CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)c1ccccc1 ZINC000820220258 606821295 /nfs/dbraw/zinc/82/12/95/606821295.db2.gz PVLRLJJXSNNIER-CABCVRRESA-N -1 1 392.467 1.888 20 0 GDADMM C[C@H](CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)c1ccccc1 ZINC000820220258 606821297 /nfs/dbraw/zinc/82/12/97/606821297.db2.gz PVLRLJJXSNNIER-CABCVRRESA-N -1 1 392.467 1.888 20 0 GDADMM CC(C)c1ccc(OCCNC(=O)Cn2cccc(-c3nn[n-]n3)c2=O)cc1 ZINC000820192154 606824207 /nfs/dbraw/zinc/82/42/07/606824207.db2.gz FOWCRGKJCKAMIJ-UHFFFAOYSA-N -1 1 382.424 1.347 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc(F)cc1F ZINC000820788681 606824885 /nfs/dbraw/zinc/82/48/85/606824885.db2.gz MEEPOKZGAZFKJO-JTQLQIEISA-N -1 1 386.366 1.286 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc(F)cc1F ZINC000820788681 606824887 /nfs/dbraw/zinc/82/48/87/606824887.db2.gz MEEPOKZGAZFKJO-JTQLQIEISA-N -1 1 386.366 1.286 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)COC1CCCCC1 ZINC000820776994 606825160 /nfs/dbraw/zinc/82/51/60/606825160.db2.gz OPMDWXRAIFNILN-ZDUSSCGKSA-N -1 1 386.460 1.043 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)COC1CCCCC1 ZINC000820776994 606825162 /nfs/dbraw/zinc/82/51/62/606825162.db2.gz OPMDWXRAIFNILN-ZDUSSCGKSA-N -1 1 386.460 1.043 20 0 GDADMM CSc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)o1 ZINC000821976552 606825273 /nfs/dbraw/zinc/82/52/73/606825273.db2.gz BMTBIDHRFAGSAI-SNVBAGLBSA-N -1 1 386.441 1.323 20 0 GDADMM CSc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)o1 ZINC000821976552 606825274 /nfs/dbraw/zinc/82/52/74/606825274.db2.gz BMTBIDHRFAGSAI-SNVBAGLBSA-N -1 1 386.441 1.323 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NC1CCC(C)(C)CC1 ZINC000820788841 606834716 /nfs/dbraw/zinc/83/47/16/606834716.db2.gz PFLOBFARPTYSKK-CYBMUJFWSA-N -1 1 399.503 1.846 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NC1CCC(C)(C)CC1 ZINC000820788841 606834718 /nfs/dbraw/zinc/83/47/18/606834718.db2.gz PFLOBFARPTYSKK-CYBMUJFWSA-N -1 1 399.503 1.846 20 0 GDADMM CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821001369 606840153 /nfs/dbraw/zinc/84/01/53/606840153.db2.gz QUOZQWDFIQWCNN-CNRJSHIUSA-N -1 1 388.453 1.563 20 0 GDADMM CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821001369 606840155 /nfs/dbraw/zinc/84/01/55/606840155.db2.gz QUOZQWDFIQWCNN-CNRJSHIUSA-N -1 1 388.453 1.563 20 0 GDADMM CCO[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C12CCC2 ZINC000821359680 606875243 /nfs/dbraw/zinc/87/52/43/606875243.db2.gz ORYHGQWVMYBIRN-ZIAGYGMSSA-N -1 1 378.458 1.230 20 0 GDADMM CCO[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C12CCC2 ZINC000821359680 606875244 /nfs/dbraw/zinc/87/52/44/606875244.db2.gz ORYHGQWVMYBIRN-ZIAGYGMSSA-N -1 1 378.458 1.230 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N(C)Cc2cc(Cl)cn2C)cc1-c1nn[n-]n1 ZINC000821969862 606914815 /nfs/dbraw/zinc/91/48/15/606914815.db2.gz GIGZSPDPFYHJMP-UHFFFAOYSA-N -1 1 393.860 1.953 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCO[C@H](c2ccsc2)C1 ZINC000823606507 606941267 /nfs/dbraw/zinc/94/12/67/606941267.db2.gz JJLRIOZSJNKHKY-LBPRGKRZSA-N -1 1 395.441 1.830 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCO[C@H](c2ccsc2)C1 ZINC000823606507 606941268 /nfs/dbraw/zinc/94/12/68/606941268.db2.gz JJLRIOZSJNKHKY-LBPRGKRZSA-N -1 1 395.441 1.830 20 0 GDADMM Cc1ccc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c(O[C@@H]2CCOC2)c1 ZINC000822237516 606956590 /nfs/dbraw/zinc/95/65/90/606956590.db2.gz XOFZBYXFFBGIRT-CYBMUJFWSA-N -1 1 398.427 1.398 20 0 GDADMM Cc1ccc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c(O[C@@H]2CCOC2)c1 ZINC000822237516 606956592 /nfs/dbraw/zinc/95/65/92/606956592.db2.gz XOFZBYXFFBGIRT-CYBMUJFWSA-N -1 1 398.427 1.398 20 0 GDADMM COC(=O)C[C@@H](C)C(=O)OCc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000821657873 607004061 /nfs/dbraw/zinc/00/40/61/607004061.db2.gz XZCIFVAEJCXMRQ-LLVKDONJSA-N -1 1 384.396 1.603 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC[C@@H](OCC(C)C)C1 ZINC000822004733 607054456 /nfs/dbraw/zinc/05/44/56/607054456.db2.gz KGKGVHLYUDREPB-CQSZACIVSA-N -1 1 388.472 1.790 20 0 GDADMM CC(C)CCn1ccc(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)n1 ZINC000820081567 607074475 /nfs/dbraw/zinc/07/44/75/607074475.db2.gz LLVBZCMXXZRODO-UHFFFAOYSA-N -1 1 387.452 1.169 20 0 GDADMM CC(C)CCn1ccc(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)n1 ZINC000820081567 607074479 /nfs/dbraw/zinc/07/44/79/607074479.db2.gz LLVBZCMXXZRODO-UHFFFAOYSA-N -1 1 387.452 1.169 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)NCC[C@@H](C)[S@](C)=O)c1-c1nn[n-]n1 ZINC000821990087 607099358 /nfs/dbraw/zinc/09/93/58/607099358.db2.gz PTCXKWSCHUGDLV-BGGANLFTSA-N -1 1 394.526 1.748 20 0 GDADMM CCOC(=O)[C@]1(CCOC(=O)c2sccc2-c2nn[n-]n2)CCCC1=O ZINC000821321491 607111266 /nfs/dbraw/zinc/11/12/66/607111266.db2.gz YGWJTHUQZDOFJI-INIZCTEOSA-N -1 1 378.410 1.778 20 0 GDADMM COC(=O)[C@@]1(C)CCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)C1 ZINC000821652732 607137965 /nfs/dbraw/zinc/13/79/65/607137965.db2.gz YUGILCLRGFRXAG-SFHVURJKSA-N -1 1 384.396 1.584 20 0 GDADMM COC(=O)[C@@]1(C)CCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)C1 ZINC000821652732 607137967 /nfs/dbraw/zinc/13/79/67/607137967.db2.gz YUGILCLRGFRXAG-SFHVURJKSA-N -1 1 384.396 1.584 20 0 GDADMM CC[C@H](C[C@@H](C)CO)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000820881958 607186943 /nfs/dbraw/zinc/18/69/43/607186943.db2.gz GIFVOLQGNXVHNV-ZWNOBZJWSA-N -1 1 376.461 1.430 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C1CCC(C)(C)CC1 ZINC000820775450 607192609 /nfs/dbraw/zinc/19/26/09/607192609.db2.gz IGOKPKLPPJXMIS-ZDUSSCGKSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C1CCC(C)(C)CC1 ZINC000820775450 607192610 /nfs/dbraw/zinc/19/26/10/607192610.db2.gz IGOKPKLPPJXMIS-ZDUSSCGKSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1cc(F)c(Cl)cc1Cl ZINC000820334545 607205782 /nfs/dbraw/zinc/20/57/82/607205782.db2.gz NHANHIIRAVZDGP-LURJTMIESA-N -1 1 385.190 1.782 20 0 GDADMM C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1nc2ccccc2n1C(F)F ZINC000820333812 607205880 /nfs/dbraw/zinc/20/58/80/607205880.db2.gz GSNRLWCKBATPQB-MRVPVSSYSA-N -1 1 388.342 1.080 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000823126905 607205942 /nfs/dbraw/zinc/20/59/42/607205942.db2.gz NFHCTCHSGGOBMM-SNVBAGLBSA-N -1 1 376.833 1.465 20 0 GDADMM C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1c(Cl)ccc(F)c1Cl ZINC000820333434 607208625 /nfs/dbraw/zinc/20/86/25/607208625.db2.gz BPCVDJDHNAOMGH-LURJTMIESA-N -1 1 385.190 1.782 20 0 GDADMM COc1cccc(Cc2cnc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)s2)c1 ZINC000821871629 607208820 /nfs/dbraw/zinc/20/88/20/607208820.db2.gz BRKJKYQWWNKBBL-UHFFFAOYSA-N -1 1 397.424 1.153 20 0 GDADMM Cc1cc(C)n(-c2ccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)cc2F)n1 ZINC000822197965 607209078 /nfs/dbraw/zinc/20/90/78/607209078.db2.gz WPFZJKLBJVVVCJ-UHFFFAOYSA-N -1 1 382.363 1.039 20 0 GDADMM CCC(CC)(CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(Cl)cc1 ZINC000820887855 607212494 /nfs/dbraw/zinc/21/24/94/607212494.db2.gz UZOKXZKLYVFHJL-UHFFFAOYSA-N -1 1 388.863 1.986 20 0 GDADMM CC(C)(C)OC(=O)Nc1ccccc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000819945801 607212933 /nfs/dbraw/zinc/21/29/33/607212933.db2.gz FBXRULSZSDHQDP-UHFFFAOYSA-N -1 1 385.388 1.444 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccccc1NC(=O)c1cccs1 ZINC000823136412 607213278 /nfs/dbraw/zinc/21/32/78/607213278.db2.gz ZIBAQXAGKIZCSV-UHFFFAOYSA-N -1 1 395.408 1.411 20 0 GDADMM Cc1c(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cccc1OCC(F)(F)F ZINC000822076786 607213621 /nfs/dbraw/zinc/21/36/21/607213621.db2.gz RWSDXLZMESDSOE-UHFFFAOYSA-N -1 1 382.306 1.346 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CCc2c1cccc2Br ZINC000823126968 607213858 /nfs/dbraw/zinc/21/38/58/607213858.db2.gz PAGXADOBYQZCFD-LLVKDONJSA-N -1 1 389.217 1.024 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000823126007 607219083 /nfs/dbraw/zinc/21/90/83/607219083.db2.gz FDMQZKVBHHBVNZ-JTQLQIEISA-N -1 1 386.725 1.531 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC[C@@H](Cc1ccccc1)c1ccccc1 ZINC000823126986 607222087 /nfs/dbraw/zinc/22/20/87/607222087.db2.gz PYEJWIJKDVKVQR-QGZVFWFLSA-N -1 1 388.435 1.601 20 0 GDADMM Cc1nn(-c2ccccc2)c(COC(=O)c2ccnnc2C)c1-c1nn[n-]n1 ZINC000826338313 607805844 /nfs/dbraw/zinc/80/58/44/607805844.db2.gz RHFDZQMEFTZVJB-UHFFFAOYSA-N -1 1 376.380 1.816 20 0 GDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)Cc1c[nH]c2cccc(Br)c12 ZINC000826395308 607836149 /nfs/dbraw/zinc/83/61/49/607836149.db2.gz WEYRVYWWYYUIIJ-UHFFFAOYSA-N -1 1 387.201 1.772 20 0 GDADMM Cc1ccc(NC(=O)CN(C)C(=O)COc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826290314 607865479 /nfs/dbraw/zinc/86/54/79/607865479.db2.gz JDAQXIBGJYYOOA-UHFFFAOYSA-N -1 1 398.398 1.790 20 0 GDADMM Cc1ccc(NC(=O)CN(C)C(=O)COc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826290314 607865480 /nfs/dbraw/zinc/86/54/80/607865480.db2.gz JDAQXIBGJYYOOA-UHFFFAOYSA-N -1 1 398.398 1.790 20 0 GDADMM O=C(CN1CCN(c2cccc(-c3nnn[n-]3)n2)CC1)Nc1ccccc1F ZINC000826411272 607904333 /nfs/dbraw/zinc/90/43/33/607904333.db2.gz RUKURRIEYCHAPC-UHFFFAOYSA-N -1 1 382.403 1.162 20 0 GDADMM O=C(CN1CCN(c2cccc(-c3nn[n-]n3)n2)CC1)Nc1ccccc1F ZINC000826411272 607904334 /nfs/dbraw/zinc/90/43/34/607904334.db2.gz RUKURRIEYCHAPC-UHFFFAOYSA-N -1 1 382.403 1.162 20 0 GDADMM O=S(=O)(NC[C@H](CO)Cc1ccco1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826489731 607906494 /nfs/dbraw/zinc/90/64/94/607906494.db2.gz YBOIEVOOSFNXLO-SNVBAGLBSA-N -1 1 397.844 1.243 20 0 GDADMM O=S(=O)(NC[C@H](CO)Cc1ccco1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826489731 607906495 /nfs/dbraw/zinc/90/64/95/607906495.db2.gz YBOIEVOOSFNXLO-SNVBAGLBSA-N -1 1 397.844 1.243 20 0 GDADMM CC(=O)c1ccc2c(c1)CCN(C(=O)Nc1nn(C)cc1-c1nnn[n-]1)CC2 ZINC000824029876 607919479 /nfs/dbraw/zinc/91/94/79/607919479.db2.gz SROSMDGLOUHLOB-UHFFFAOYSA-N -1 1 380.412 1.436 20 0 GDADMM CC(=O)c1ccc2c(c1)CCN(C(=O)Nc1nn(C)cc1-c1nn[n-]n1)CC2 ZINC000824029876 607919480 /nfs/dbraw/zinc/91/94/80/607919480.db2.gz SROSMDGLOUHLOB-UHFFFAOYSA-N -1 1 380.412 1.436 20 0 GDADMM CC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c2ccccc21 ZINC000823973543 607938579 /nfs/dbraw/zinc/93/85/79/607938579.db2.gz KLIUTSAZMWPRMQ-CQSZACIVSA-N -1 1 399.436 1.038 20 0 GDADMM CC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c2ccccc21 ZINC000823973543 607938580 /nfs/dbraw/zinc/93/85/80/607938580.db2.gz KLIUTSAZMWPRMQ-CQSZACIVSA-N -1 1 399.436 1.038 20 0 GDADMM CN(CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1)Cc1cccnc1 ZINC000825892216 607957298 /nfs/dbraw/zinc/95/72/98/607957298.db2.gz HYLXCGFHRULZJS-UHFFFAOYSA-N -1 1 389.423 1.518 20 0 GDADMM Cc1cc([C@@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C2CC2)ccc1F ZINC000826262774 607968732 /nfs/dbraw/zinc/96/87/32/607968732.db2.gz YJZYNOISBJHMLW-AWEZNQCLSA-N -1 1 385.403 1.275 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C1CCC(F)(F)CC1 ZINC000825000572 607991699 /nfs/dbraw/zinc/99/16/99/607991699.db2.gz SNJAVEKHZYFHKX-NSHDSACASA-N -1 1 392.414 1.519 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C1CCC(F)(F)CC1 ZINC000825000572 607991700 /nfs/dbraw/zinc/99/17/00/607991700.db2.gz SNJAVEKHZYFHKX-NSHDSACASA-N -1 1 392.414 1.519 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccccc1CN1CCOCC1 ZINC000826450718 607997056 /nfs/dbraw/zinc/99/70/56/607997056.db2.gz ADTORTNSEQAAQE-UHFFFAOYSA-N -1 1 380.408 1.657 20 0 GDADMM CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1 ZINC000825668991 607998003 /nfs/dbraw/zinc/99/80/03/607998003.db2.gz NVJKOEHUDGDANB-UHFFFAOYSA-N -1 1 391.384 1.757 20 0 GDADMM CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825049560 607999338 /nfs/dbraw/zinc/99/93/38/607999338.db2.gz CPVALVQZWXPMFO-JOYOIKCWSA-N -1 1 376.442 1.458 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H](CO)c2ccc(C(F)(F)F)cc2)n1 ZINC000826357190 608008122 /nfs/dbraw/zinc/00/81/22/608008122.db2.gz VKZDLHQRXXXLDY-LLVKDONJSA-N -1 1 396.333 1.474 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H](CO)c2ccc(C(F)(F)F)cc2)n1 ZINC000826357190 608008123 /nfs/dbraw/zinc/00/81/23/608008123.db2.gz VKZDLHQRXXXLDY-LLVKDONJSA-N -1 1 396.333 1.474 20 0 GDADMM C[C@@H](NC(=O)Cn1ccnc1-c1nnn[n-]1)c1ccc(Br)cc1 ZINC000824480069 608013335 /nfs/dbraw/zinc/01/33/35/608013335.db2.gz SGZPJOZMEPDAJI-SECBINFHSA-N -1 1 376.218 1.703 20 0 GDADMM C[C@@H](NC(=O)Cn1ccnc1-c1nn[n-]n1)c1ccc(Br)cc1 ZINC000824480069 608013336 /nfs/dbraw/zinc/01/33/36/608013336.db2.gz SGZPJOZMEPDAJI-SECBINFHSA-N -1 1 376.218 1.703 20 0 GDADMM O=C(Cn1ccnc1-c1nnn[n-]1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000826424924 608013810 /nfs/dbraw/zinc/01/38/10/608013810.db2.gz IRJPPACFFFXVTE-ZDUSSCGKSA-N -1 1 381.396 1.198 20 0 GDADMM O=C(Cn1ccnc1-c1nn[n-]n1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000826424924 608013811 /nfs/dbraw/zinc/01/38/11/608013811.db2.gz IRJPPACFFFXVTE-ZDUSSCGKSA-N -1 1 381.396 1.198 20 0 GDADMM Cc1cc2c(ncnc2N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)s1 ZINC000826272988 608051372 /nfs/dbraw/zinc/05/13/72/608051372.db2.gz KIGBVBJEWHAACM-SNVBAGLBSA-N -1 1 394.468 1.685 20 0 GDADMM Cc1cc2c(ncnc2N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)s1 ZINC000826272988 608051373 /nfs/dbraw/zinc/05/13/73/608051373.db2.gz KIGBVBJEWHAACM-SNVBAGLBSA-N -1 1 394.468 1.685 20 0 GDADMM CS(=O)(=O)c1ccc(-c2nc(Cn3cccc(-c4nn[n-]n4)c3=O)co2)cc1 ZINC000826224107 608055780 /nfs/dbraw/zinc/05/57/80/608055780.db2.gz OPMOUWWMDYLABU-UHFFFAOYSA-N -1 1 398.404 1.135 20 0 GDADMM Cc1cnc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)CCO2 ZINC000826319314 608055837 /nfs/dbraw/zinc/05/58/37/608055837.db2.gz XLFROXLGGOTNBB-UHFFFAOYSA-N -1 1 392.828 1.811 20 0 GDADMM Cc1nncn1-c1cccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826337863 608059338 /nfs/dbraw/zinc/05/93/38/608059338.db2.gz CRUMJHVSDQPOIV-UHFFFAOYSA-N -1 1 382.409 1.557 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc(Oc3ccccc3)c(F)c2)c1=O ZINC000826357118 608096738 /nfs/dbraw/zinc/09/67/38/608096738.db2.gz RPPBOXNSGALWPT-UHFFFAOYSA-N -1 1 394.366 1.707 20 0 GDADMM C[C@@]1(O)CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C1 ZINC000824844055 608110816 /nfs/dbraw/zinc/11/08/16/608110816.db2.gz OAPAINPDGFUIOJ-GFCCVEGCSA-N -1 1 377.348 1.031 20 0 GDADMM C[C@H](CN(C)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1nccs1 ZINC000824414309 608127095 /nfs/dbraw/zinc/12/70/95/608127095.db2.gz ZFJPAVFITXPZIF-SECBINFHSA-N -1 1 382.446 1.887 20 0 GDADMM O=C(N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1)C12CCC(CC1)C2 ZINC000826426274 608146575 /nfs/dbraw/zinc/14/65/75/608146575.db2.gz JUIFUFKYRDBFIY-UHFFFAOYSA-N -1 1 383.456 1.961 20 0 GDADMM Cn1c(Sc2snc(Cl)c2-c2nnn[n-]2)nnc1-c1cnccn1 ZINC000826356589 608191302 /nfs/dbraw/zinc/19/13/02/608191302.db2.gz XISSSXVQKUDXAK-UHFFFAOYSA-N -1 1 378.834 1.713 20 0 GDADMM Cn1c(Sc2snc(Cl)c2-c2nn[n-]n2)nnc1-c1cnccn1 ZINC000826356589 608191303 /nfs/dbraw/zinc/19/13/03/608191303.db2.gz XISSSXVQKUDXAK-UHFFFAOYSA-N -1 1 378.834 1.713 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCCCC23OCCO3)cc1-c1nn[n-]n1 ZINC000826229495 608196976 /nfs/dbraw/zinc/19/69/76/608196976.db2.gz GUNWPWFHJFMGGV-LLVKDONJSA-N -1 1 392.441 1.105 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OC[C@]1(C)CCOC1 ZINC000826328631 608200629 /nfs/dbraw/zinc/20/06/29/608200629.db2.gz YBQLQRKXHAOVCC-GOSISDBHSA-N -1 1 385.428 1.429 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OC[C@]1(C)CCOC1 ZINC000826328631 608200631 /nfs/dbraw/zinc/20/06/31/608200631.db2.gz YBQLQRKXHAOVCC-GOSISDBHSA-N -1 1 385.428 1.429 20 0 GDADMM C[C@H](Oc1cccc(F)c1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824744636 608210635 /nfs/dbraw/zinc/21/06/35/608210635.db2.gz CPLXWJRUFOTSOO-JTQLQIEISA-N -1 1 388.407 1.170 20 0 GDADMM C[C@H](Oc1cccc(F)c1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824744636 608210637 /nfs/dbraw/zinc/21/06/37/608210637.db2.gz CPLXWJRUFOTSOO-JTQLQIEISA-N -1 1 388.407 1.170 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C1(Cc2ccccc2)CCC1 ZINC000825923829 608211550 /nfs/dbraw/zinc/21/15/50/608211550.db2.gz XWYIYUUBNZSWSQ-UHFFFAOYSA-N -1 1 394.483 1.976 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C1(Cc2ccccc2)CCC1 ZINC000825923829 608211552 /nfs/dbraw/zinc/21/15/52/608211552.db2.gz XWYIYUUBNZSWSQ-UHFFFAOYSA-N -1 1 394.483 1.976 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccn(-c2ccccc2)n1 ZINC000825934737 608212816 /nfs/dbraw/zinc/21/28/16/608212816.db2.gz RBZGBIMHRWRBDQ-UHFFFAOYSA-N -1 1 392.427 1.063 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccn(-c2ccccc2)n1 ZINC000825934737 608212818 /nfs/dbraw/zinc/21/28/18/608212818.db2.gz RBZGBIMHRWRBDQ-UHFFFAOYSA-N -1 1 392.427 1.063 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCCc1ccc[nH]1 ZINC000826328518 608214675 /nfs/dbraw/zinc/21/46/75/608214675.db2.gz UKQXTGQJUJJSGZ-UHFFFAOYSA-N -1 1 379.428 1.146 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCCc1ccc[nH]1 ZINC000826328518 608214676 /nfs/dbraw/zinc/21/46/76/608214676.db2.gz UKQXTGQJUJJSGZ-UHFFFAOYSA-N -1 1 379.428 1.146 20 0 GDADMM Cc1nn(Cc2c(F)cccc2Br)c(=O)c(-c2nn[n-]n2)c1C ZINC000826334747 608218846 /nfs/dbraw/zinc/21/88/46/608218846.db2.gz HZBPHQDWIUCQNR-UHFFFAOYSA-N -1 1 379.193 1.990 20 0 GDADMM FC(F)(F)c1ccc(O[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)nc1 ZINC000826368748 608243282 /nfs/dbraw/zinc/24/32/82/608243282.db2.gz AALRPTKILVWSTR-SNVBAGLBSA-N -1 1 378.318 1.728 20 0 GDADMM FC(F)(F)c1ccc(O[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)nc1 ZINC000826368748 608243283 /nfs/dbraw/zinc/24/32/83/608243283.db2.gz AALRPTKILVWSTR-SNVBAGLBSA-N -1 1 378.318 1.728 20 0 GDADMM FC(F)(F)c1ccc(O[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)nc1 ZINC000826368747 608243487 /nfs/dbraw/zinc/24/34/87/608243487.db2.gz AALRPTKILVWSTR-JTQLQIEISA-N -1 1 378.318 1.728 20 0 GDADMM FC(F)(F)c1ccc(O[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)nc1 ZINC000826368747 608243488 /nfs/dbraw/zinc/24/34/88/608243488.db2.gz AALRPTKILVWSTR-JTQLQIEISA-N -1 1 378.318 1.728 20 0 GDADMM COCC1(C)CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000826153011 608306847 /nfs/dbraw/zinc/30/68/47/608306847.db2.gz YAMTXQWUDBJGDU-UHFFFAOYSA-N -1 1 385.877 1.957 20 0 GDADMM Cc1nn(-c2ccccc2)c(CN2CCN(CC(F)F)CC2)c1-c1nn[n-]n1 ZINC000826332253 608312187 /nfs/dbraw/zinc/31/21/87/608312187.db2.gz ONEUYHCEBKSUNB-UHFFFAOYSA-N -1 1 388.426 1.744 20 0 GDADMM C[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)c1cccnc1 ZINC000824471803 608340087 /nfs/dbraw/zinc/34/00/87/608340087.db2.gz SQAOCROFQPSHKN-SNVBAGLBSA-N -1 1 383.416 1.029 20 0 GDADMM C[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)c1cccnc1 ZINC000824471803 608340089 /nfs/dbraw/zinc/34/00/89/608340089.db2.gz SQAOCROFQPSHKN-SNVBAGLBSA-N -1 1 383.416 1.029 20 0 GDADMM Cc1ccc(CCNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)o1 ZINC000826287224 608340615 /nfs/dbraw/zinc/34/06/15/608340615.db2.gz HVVUPAHGVZXXEF-UHFFFAOYSA-N -1 1 386.416 1.017 20 0 GDADMM Cc1ccc(CCNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)o1 ZINC000826287224 608340617 /nfs/dbraw/zinc/34/06/17/608340617.db2.gz HVVUPAHGVZXXEF-UHFFFAOYSA-N -1 1 386.416 1.017 20 0 GDADMM C[C@H](c1ccco1)N(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824770587 608351164 /nfs/dbraw/zinc/35/11/64/608351164.db2.gz MGVLDOARXUNZOQ-SNVBAGLBSA-N -1 1 386.416 1.569 20 0 GDADMM C[C@H](c1ccco1)N(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824770587 608351166 /nfs/dbraw/zinc/35/11/66/608351166.db2.gz MGVLDOARXUNZOQ-SNVBAGLBSA-N -1 1 386.416 1.569 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N2CCC[C@H]3CCC[C@H]32)n1 ZINC000824141730 608354317 /nfs/dbraw/zinc/35/43/17/608354317.db2.gz MQSDDYFLCNRBDJ-DGCLKSJQSA-N -1 1 386.460 1.548 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N2CCC[C@H]3CCC[C@H]32)n1 ZINC000824141730 608354319 /nfs/dbraw/zinc/35/43/19/608354319.db2.gz MQSDDYFLCNRBDJ-DGCLKSJQSA-N -1 1 386.460 1.548 20 0 GDADMM c1ccc2[nH]c(N3CCN(c4oc(C5CC5)nc4-c4nn[n-]n4)CC3)nc2c1 ZINC000826523041 608367098 /nfs/dbraw/zinc/36/70/98/608367098.db2.gz YITGZVBOWXWONH-UHFFFAOYSA-N -1 1 377.412 1.935 20 0 GDADMM O[C@H](CNc1ccc(-c2nnn[n-]2)nn1)COc1ccc(C(F)(F)F)cc1 ZINC000826502683 608406173 /nfs/dbraw/zinc/40/61/73/608406173.db2.gz IVSSNOPXIIWESS-SNVBAGLBSA-N -1 1 381.318 1.527 20 0 GDADMM O[C@H](CNc1ccc(-c2nn[n-]n2)nn1)COc1ccc(C(F)(F)F)cc1 ZINC000826502683 608406174 /nfs/dbraw/zinc/40/61/74/608406174.db2.gz IVSSNOPXIIWESS-SNVBAGLBSA-N -1 1 381.318 1.527 20 0 GDADMM FC(F)Oc1ccc([C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CCO2)cc1 ZINC000826369900 608441408 /nfs/dbraw/zinc/44/14/08/608441408.db2.gz VEJVSTQSMLOIMM-CYBMUJFWSA-N -1 1 375.339 1.836 20 0 GDADMM FC(F)Oc1ccc([C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CCO2)cc1 ZINC000826369900 608441410 /nfs/dbraw/zinc/44/14/10/608441410.db2.gz VEJVSTQSMLOIMM-CYBMUJFWSA-N -1 1 375.339 1.836 20 0 GDADMM O=S(=O)([N-]C[C@@H]1CS(=O)(=O)CCO1)c1ccc(Cl)c(F)c1Cl ZINC000530438928 649975819 /nfs/dbraw/zinc/97/58/19/649975819.db2.gz SAGDDKHBIHBBHV-SSDOTTSWSA-N -1 1 392.257 1.224 20 0 GDADMM Cc1ccsc1[C@H]1C[C@H]1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826316779 608555765 /nfs/dbraw/zinc/55/57/65/608555765.db2.gz YLFLEOTYCOABGF-WDEREUQCSA-N -1 1 386.485 1.737 20 0 GDADMM Cc1ccsc1[C@H]1C[C@H]1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826316779 608555766 /nfs/dbraw/zinc/55/57/66/608555766.db2.gz YLFLEOTYCOABGF-WDEREUQCSA-N -1 1 386.485 1.737 20 0 GDADMM O=C(NC1CCC(Oc2ccc(-c3nn[nH]n3)cn2)CC1)c1ncccc1[O-] ZINC000826430052 608604146 /nfs/dbraw/zinc/60/41/46/608604146.db2.gz SGIRWJCOZMQGNN-UHFFFAOYSA-N -1 1 381.396 1.482 20 0 GDADMM CN(C(=O)CN1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1)C1CCCCC1 ZINC000825817977 608677345 /nfs/dbraw/zinc/67/73/45/608677345.db2.gz RKTGOJWNIZITIK-UHFFFAOYSA-N -1 1 387.488 1.368 20 0 GDADMM CN(C(=O)CN1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1)C1CCCCC1 ZINC000825817977 608677346 /nfs/dbraw/zinc/67/73/46/608677346.db2.gz RKTGOJWNIZITIK-UHFFFAOYSA-N -1 1 387.488 1.368 20 0 GDADMM Cc1cc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cnc1Cl ZINC000826266114 608836358 /nfs/dbraw/zinc/83/63/58/608836358.db2.gz CHUIKFLTGNCXHA-LBPRGKRZSA-N -1 1 385.863 1.724 20 0 GDADMM Cc1cc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cnc1Cl ZINC000826266114 608836359 /nfs/dbraw/zinc/83/63/59/608836359.db2.gz CHUIKFLTGNCXHA-LBPRGKRZSA-N -1 1 385.863 1.724 20 0 GDADMM CCCc1cnc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)s1 ZINC000825348162 609162517 /nfs/dbraw/zinc/16/25/17/609162517.db2.gz DNADXJGAMUKZNJ-UHFFFAOYSA-N -1 1 390.477 1.678 20 0 GDADMM CCCc1cnc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)s1 ZINC000825348162 609162519 /nfs/dbraw/zinc/16/25/19/609162519.db2.gz DNADXJGAMUKZNJ-UHFFFAOYSA-N -1 1 390.477 1.678 20 0 GDADMM Cc1oc(NC(=O)COC(=O)c2csc3cncn32)c(-c2nn[n-]n2)c1C ZINC000826342575 609240955 /nfs/dbraw/zinc/24/09/55/609240955.db2.gz QZACRPVGEOMHKG-UHFFFAOYSA-N -1 1 387.381 1.581 20 0 GDADMM O=C(CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)NC(C1CC1)C1CC1 ZINC000826414059 609279305 /nfs/dbraw/zinc/27/93/05/609279305.db2.gz CJUQRNIFHWBRJV-UHFFFAOYSA-N -1 1 396.430 1.908 20 0 GDADMM CCc1ccc(CCNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000825712399 609302039 /nfs/dbraw/zinc/30/20/39/609302039.db2.gz QLQRONSOQUPKME-UHFFFAOYSA-N -1 1 397.487 1.551 20 0 GDADMM CCc1ccc(CCNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000825712399 609302042 /nfs/dbraw/zinc/30/20/42/609302042.db2.gz QLQRONSOQUPKME-UHFFFAOYSA-N -1 1 397.487 1.551 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCCCc1ccc(O)cc1 ZINC000825930032 609302831 /nfs/dbraw/zinc/30/28/31/609302831.db2.gz OLZMKFCBGXGADG-UHFFFAOYSA-N -1 1 399.459 1.084 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCCCc1ccc(O)cc1 ZINC000825930032 609302833 /nfs/dbraw/zinc/30/28/33/609302833.db2.gz OLZMKFCBGXGADG-UHFFFAOYSA-N -1 1 399.459 1.084 20 0 GDADMM O=C(CNCC(F)(F)F)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826412554 609312265 /nfs/dbraw/zinc/31/22/65/609312265.db2.gz SIFQKSGZVGTKTB-UHFFFAOYSA-N -1 1 384.297 1.282 20 0 GDADMM COC(=O)[C@H]1CCCCCN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826134347 609318293 /nfs/dbraw/zinc/31/82/93/609318293.db2.gz VSBFYWWNUDJOLW-LLVKDONJSA-N -1 1 399.860 1.626 20 0 GDADMM COC(=O)[C@H]1CCCCCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826134347 609318295 /nfs/dbraw/zinc/31/82/95/609318295.db2.gz VSBFYWWNUDJOLW-LLVKDONJSA-N -1 1 399.860 1.626 20 0 GDADMM COCC[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(C)o1 ZINC000826154682 609334264 /nfs/dbraw/zinc/33/42/64/609334264.db2.gz VOJHXTVAYJWEDK-GFCCVEGCSA-N -1 1 378.414 1.219 20 0 GDADMM COCC[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(C)o1 ZINC000826154682 609334266 /nfs/dbraw/zinc/33/42/66/609334266.db2.gz VOJHXTVAYJWEDK-GFCCVEGCSA-N -1 1 378.414 1.219 20 0 GDADMM CC[S@@](=O)CCNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825669563 609361603 /nfs/dbraw/zinc/36/16/03/609361603.db2.gz ZUUKLDLSXDECLK-HHHXNRCGSA-N -1 1 392.420 1.082 20 0 GDADMM CCC1(CNC(=O)C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CC1 ZINC000825171720 609367857 /nfs/dbraw/zinc/36/78/57/609367857.db2.gz USBCTJJRMPHRRR-UHFFFAOYSA-N -1 1 398.402 1.436 20 0 GDADMM CCc1oc(C(=O)OC)cc1S(=O)(=O)Oc1cccc(F)c1-c1nnn[n-]1 ZINC000825777241 609444108 /nfs/dbraw/zinc/44/41/08/609444108.db2.gz RBKRPMIBRQQCJR-UHFFFAOYSA-N -1 1 396.356 1.716 20 0 GDADMM CCc1oc(C(=O)OC)cc1S(=O)(=O)Oc1cccc(F)c1-c1nn[n-]n1 ZINC000825777241 609444110 /nfs/dbraw/zinc/44/41/10/609444110.db2.gz RBKRPMIBRQQCJR-UHFFFAOYSA-N -1 1 396.356 1.716 20 0 GDADMM Cc1nn(Cc2c(Cl)n(C)nc2C(F)(F)F)c(=O)c(-c2nn[n-]n2)c1C ZINC000826335060 609449209 /nfs/dbraw/zinc/44/92/09/609449209.db2.gz WNFPCJVGHNABGG-UHFFFAOYSA-N -1 1 388.741 1.494 20 0 GDADMM Cc1onc(CC(=O)NCCOCc2ccc(Cl)cc2)c1-c1nnn[n-]1 ZINC000826347332 609467853 /nfs/dbraw/zinc/46/78/53/609467853.db2.gz NQUOHAQXLNCGAR-UHFFFAOYSA-N -1 1 376.804 1.692 20 0 GDADMM Cc1onc(CC(=O)NCCOCc2ccc(Cl)cc2)c1-c1nn[n-]n1 ZINC000826347332 609467856 /nfs/dbraw/zinc/46/78/56/609467856.db2.gz NQUOHAQXLNCGAR-UHFFFAOYSA-N -1 1 376.804 1.692 20 0 GDADMM O=S(=O)([N-]c1ccc2[nH]nnc2c1)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000826493074 609529511 /nfs/dbraw/zinc/52/95/11/609529511.db2.gz RXPZLJSAZFQYIX-UHFFFAOYSA-N -1 1 376.789 1.592 20 0 GDADMM COC1(CNC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)CCC1 ZINC000826143923 609620976 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CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(COC)cc2)ccc1C ZINC000539237673 650331614 /nfs/dbraw/zinc/33/16/14/650331614.db2.gz CREXGQJANDAOLQ-UHFFFAOYSA-N -1 1 384.479 1.850 20 0 GDADMM Cc1nnc(C[N-]S(=O)(=O)c2ccc(C(=O)N3CCCC3)c(F)c2)s1 ZINC000542800184 650413133 /nfs/dbraw/zinc/41/31/33/650413133.db2.gz ZPRNXSIUZDVZBQ-UHFFFAOYSA-N -1 1 384.458 1.700 20 0 GDADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)c(F)c1 ZINC000545202320 650451522 /nfs/dbraw/zinc/45/15/22/650451522.db2.gz LDZAYQKIFQDJDX-TZMCWYRMSA-N -1 1 392.474 1.433 20 0 GDADMM CCOCCS(=O)(=O)[N-]Cc1nc(CSc2ccc(F)cc2)no1 ZINC000545526591 650459380 /nfs/dbraw/zinc/45/93/80/650459380.db2.gz ZFKJATKPUSVSES-UHFFFAOYSA-N -1 1 375.447 1.957 20 0 GDADMM C[C@@H](CCc1ccc(Br)cc1)NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000546038765 650468344 /nfs/dbraw/zinc/46/83/44/650468344.db2.gz MWHRRFDOXXXGDE-JTQLQIEISA-N -1 1 390.241 1.931 20 0 GDADMM CNC(=O)c1cccc(CC[N-]S(=O)(=O)c2ccc(Br)o2)c1 ZINC000546778776 650485937 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385.457 1.432 20 0 GDADMM Cc1ncc(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)[C@@H]2C)s1 ZINC001571263182 945451775 /nfs/dbraw/zinc/45/17/75/945451775.db2.gz JNSLIXKZRTZIQQ-KOLCDFICSA-N -1 1 385.457 1.209 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)CC2(C)C)ns1 ZINC001571263458 945459500 /nfs/dbraw/zinc/45/95/00/945459500.db2.gz QRMNXUZRILAQMY-LBPRGKRZSA-N -1 1 385.457 1.066 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)CC2(C)C)ns1 ZINC001571263458 945459506 /nfs/dbraw/zinc/45/95/06/945459506.db2.gz QRMNXUZRILAQMY-LBPRGKRZSA-N -1 1 385.457 1.066 20 0 GDADMM Cc1nc(C)c(C(=O)N(C)C2CC(Nc3ccc(-c4nnn[n-]4)nn3)C2)s1 ZINC001571263746 945465815 /nfs/dbraw/zinc/46/58/15/945465815.db2.gz XSEBDHTTZLMHDQ-UHFFFAOYSA-N -1 1 385.457 1.445 20 0 GDADMM Cc1nc(C)c(C(=O)N(C)C2CC(Nc3ccc(-c4nn[n-]n4)nn3)C2)s1 ZINC001571263746 945465821 /nfs/dbraw/zinc/46/58/21/945465821.db2.gz XSEBDHTTZLMHDQ-UHFFFAOYSA-N -1 1 385.457 1.445 20 0 GDADMM CCCC(=O)N1CCCO[C@@H](CNc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571266314 945537403 /nfs/dbraw/zinc/53/74/03/945537403.db2.gz ZCLXFESLRMBOAQ-VIFPVBQESA-N -1 1 385.881 1.806 20 0 GDADMM O=C(c1cccc(F)c1F)N1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571266893 945555972 /nfs/dbraw/zinc/55/59/72/945555972.db2.gz BLVAJEIMJIRUKP-JTQLQIEISA-N -1 1 386.366 1.509 20 0 GDADMM O=C(c1cccc(F)c1F)N1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571266893 945555984 /nfs/dbraw/zinc/55/59/84/945555984.db2.gz BLVAJEIMJIRUKP-JTQLQIEISA-N -1 1 386.366 1.509 20 0 GDADMM O=C(c1cccc(C(F)F)c1)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571267060 945561474 /nfs/dbraw/zinc/56/14/74/945561474.db2.gz IBTGUANLKZYOCF-GFCCVEGCSA-N -1 1 386.366 1.921 20 0 GDADMM O=C(c1cccc(C(F)F)c1)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571267060 945561480 /nfs/dbraw/zinc/56/14/80/945561480.db2.gz IBTGUANLKZYOCF-GFCCVEGCSA-N -1 1 386.366 1.921 20 0 GDADMM O=C(Cc1cc(F)ccc1F)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571267069 945561576 /nfs/dbraw/zinc/56/15/76/945561576.db2.gz ILKGXXXSZIFBKL-GFCCVEGCSA-N -1 1 386.366 1.190 20 0 GDADMM O=C(Cc1cc(F)ccc1F)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571267069 945561592 /nfs/dbraw/zinc/56/15/92/945561592.db2.gz ILKGXXXSZIFBKL-GFCCVEGCSA-N -1 1 386.366 1.190 20 0 GDADMM C[C@@]1(NC(=O)c2cccc(F)c2F)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571267136 945563900 /nfs/dbraw/zinc/56/39/00/945563900.db2.gz KJFJWIDHARSMPN-QGZVFWFLSA-N -1 1 386.366 1.334 20 0 GDADMM C[C@@]1(NC(=O)c2cccc(F)c2F)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571267136 945563911 /nfs/dbraw/zinc/56/39/11/945563911.db2.gz KJFJWIDHARSMPN-QGZVFWFLSA-N -1 1 386.366 1.334 20 0 GDADMM C[C@@H]1CN(C(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)CCN1c1cnccn1 ZINC001571267387 945569232 /nfs/dbraw/zinc/56/92/32/945569232.db2.gz STXJYGZBUQNMAS-SNVBAGLBSA-N -1 1 386.366 1.286 20 0 GDADMM C[C@@H]1CN(C(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)CCN1c1cnccn1 ZINC001571267387 945569238 /nfs/dbraw/zinc/56/92/38/945569238.db2.gz STXJYGZBUQNMAS-SNVBAGLBSA-N -1 1 386.366 1.286 20 0 GDADMM O=C(c1c(F)cccc1F)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571267574 945573286 /nfs/dbraw/zinc/57/32/86/945573286.db2.gz YWQGANWZKKZTIV-SNVBAGLBSA-N -1 1 386.366 1.509 20 0 GDADMM O=C(c1c(F)cccc1F)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571267574 945573291 /nfs/dbraw/zinc/57/32/91/945573291.db2.gz YWQGANWZKKZTIV-SNVBAGLBSA-N -1 1 386.366 1.509 20 0 GDADMM COC(=O)CC[C@@H]1CC[C@H](C(=O)N2CCCc3nc(-c4nnn[n-]4)ccc32)O1 ZINC001571267987 945584303 /nfs/dbraw/zinc/58/43/03/945584303.db2.gz KLPKPHLKXJIFGR-XHDPSFHLSA-N -1 1 386.412 1.042 20 0 GDADMM COC(=O)CC[C@@H]1CC[C@H](C(=O)N2CCCc3nc(-c4nn[n-]n4)ccc32)O1 ZINC001571267987 945584308 /nfs/dbraw/zinc/58/43/08/945584308.db2.gz KLPKPHLKXJIFGR-XHDPSFHLSA-N -1 1 386.412 1.042 20 0 GDADMM CCC1(CC)[C@H](N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1OC ZINC000820958452 945598368 /nfs/dbraw/zinc/59/83/68/945598368.db2.gz VMYONSNASJHHRE-KGLIPLIRSA-N -1 1 380.474 1.476 20 0 GDADMM CCC1(CC)[C@H](N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1OC ZINC000820958452 945598374 /nfs/dbraw/zinc/59/83/74/945598374.db2.gz VMYONSNASJHHRE-KGLIPLIRSA-N -1 1 380.474 1.476 20 0 GDADMM O=C(N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)nn1)C1(CF)CCC1 ZINC001571269390 945619120 /nfs/dbraw/zinc/61/91/20/945619120.db2.gz XGRNKUNFELFHJT-ZIAGYGMSSA-N -1 1 386.435 1.366 20 0 GDADMM O=C(N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)nn1)C1(CF)CCC1 ZINC001571269390 945619125 /nfs/dbraw/zinc/61/91/25/945619125.db2.gz XGRNKUNFELFHJT-ZIAGYGMSSA-N -1 1 386.435 1.366 20 0 GDADMM CN(C(=O)c1cnsn1)C1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001571269619 945620734 /nfs/dbraw/zinc/62/07/34/945620734.db2.gz ALZQCMBVAIQGSE-UHFFFAOYSA-N -1 1 386.445 1.004 20 0 GDADMM CN(C(=O)c1cnsn1)C1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001571269619 945620738 /nfs/dbraw/zinc/62/07/38/945620738.db2.gz ALZQCMBVAIQGSE-UHFFFAOYSA-N -1 1 386.445 1.004 20 0 GDADMM COc1csc(C(=O)N[C@@]2(C)CCN(c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571269708 945622873 /nfs/dbraw/zinc/62/28/73/945622873.db2.gz CPLYLYCYWXFUFK-INIZCTEOSA-N -1 1 386.441 1.126 20 0 GDADMM COc1csc(C(=O)N[C@@]2(C)CCN(c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571269708 945622877 /nfs/dbraw/zinc/62/28/77/945622877.db2.gz CPLYLYCYWXFUFK-INIZCTEOSA-N -1 1 386.441 1.126 20 0 GDADMM COc1cccnc1C(=O)N[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571269731 945625246 /nfs/dbraw/zinc/62/52/46/945625246.db2.gz CXNBPGRKLAOJPM-SNVBAGLBSA-N -1 1 386.441 1.044 20 0 GDADMM CC(C)c1nnsc1C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571269954 945628033 /nfs/dbraw/zinc/62/80/33/945628033.db2.gz ISSCDUJZBCTMBZ-DTORHVGOSA-N -1 1 386.445 1.005 20 0 GDADMM CC(C)c1nnsc1C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571269954 945628040 /nfs/dbraw/zinc/62/80/40/945628040.db2.gz ISSCDUJZBCTMBZ-DTORHVGOSA-N -1 1 386.445 1.005 20 0 GDADMM COc1ccsc1C(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571270367 945635355 /nfs/dbraw/zinc/63/53/55/945635355.db2.gz ROQAITDRDICMTD-MGCOHNPYSA-N -1 1 386.441 1.347 20 0 GDADMM COc1ccsc1C(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571270367 945635360 /nfs/dbraw/zinc/63/53/60/945635360.db2.gz ROQAITDRDICMTD-MGCOHNPYSA-N -1 1 386.441 1.347 20 0 GDADMM CCOC(=O)[C@@H](CC)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000821313124 945668667 /nfs/dbraw/zinc/66/86/67/945668667.db2.gz AMDCVKKGRGBWKJ-GFCCVEGCSA-N -1 1 375.433 1.196 20 0 GDADMM O=C(C1CCOCC1)N1CCCCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571272856 945673294 /nfs/dbraw/zinc/67/32/94/945673294.db2.gz JOEULAHSNFGYII-CQSZACIVSA-N -1 1 386.460 1.266 20 0 GDADMM O=C(C1CCOCC1)N1CCCCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571272856 945673304 /nfs/dbraw/zinc/67/33/04/945673304.db2.gz JOEULAHSNFGYII-CQSZACIVSA-N -1 1 386.460 1.266 20 0 GDADMM CCc1nc(N[C@@H]2CCCN(C(=O)C3CCOCC3)C2)cc(-c2nnn[n-]2)n1 ZINC001571273097 945679989 /nfs/dbraw/zinc/67/99/89/945679989.db2.gz PABXMMMMCOXGBX-CYBMUJFWSA-N -1 1 386.460 1.049 20 0 GDADMM CCc1nc(N[C@@H]2CCCN(C(=O)C3CCOCC3)C2)cc(-c2nn[n-]n2)n1 ZINC001571273097 945679994 /nfs/dbraw/zinc/67/99/94/945679994.db2.gz PABXMMMMCOXGBX-CYBMUJFWSA-N -1 1 386.460 1.049 20 0 GDADMM O=C(C[C@H]1CCCCO1)N[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571273268 945684394 /nfs/dbraw/zinc/68/43/94/945684394.db2.gz UIJRMHCTUIJRHD-MGPQQGTHSA-N -1 1 386.460 1.455 20 0 GDADMM O=C(C[C@H]1CCCCO1)N[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571273268 945684399 /nfs/dbraw/zinc/68/43/99/945684399.db2.gz UIJRMHCTUIJRHD-MGPQQGTHSA-N -1 1 386.460 1.455 20 0 GDADMM CCc1ccc(N2C[C@@H](C(=O)Nc3ncc(-c4nnn[n-]4)s3)CC2=O)cc1 ZINC000821487120 945706451 /nfs/dbraw/zinc/70/64/51/945706451.db2.gz ROLYRTXRQRTDEK-NSHDSACASA-N -1 1 383.437 1.877 20 0 GDADMM CCc1ccc(N2C[C@@H](C(=O)Nc3ncc(-c4nn[n-]n4)s3)CC2=O)cc1 ZINC000821487120 945706457 /nfs/dbraw/zinc/70/64/57/945706457.db2.gz ROLYRTXRQRTDEK-NSHDSACASA-N -1 1 383.437 1.877 20 0 GDADMM CC1(C)CO[C@H](CC(=O)N2CC[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571275787 945715654 /nfs/dbraw/zinc/71/56/54/945715654.db2.gz CFUBMKWEXKLSQO-QWHCGFSZSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CO[C@H](CC(=O)N2CC[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571275787 945715663 /nfs/dbraw/zinc/71/56/63/945715663.db2.gz CFUBMKWEXKLSQO-QWHCGFSZSA-N -1 1 386.460 1.122 20 0 GDADMM CCCC(=O)N1CCC2(CO[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001571278669 945758790 /nfs/dbraw/zinc/75/87/90/945758790.db2.gz QMQIWYMZTRCPIX-ZDUSSCGKSA-N -1 1 386.460 1.266 20 0 GDADMM CCCC(=O)N1CCC2(CO[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571278669 945758798 /nfs/dbraw/zinc/75/87/98/945758798.db2.gz QMQIWYMZTRCPIX-ZDUSSCGKSA-N -1 1 386.460 1.266 20 0 GDADMM CC[C@@H]1CN(C(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)[C@H](CC)CN1C(C)=O ZINC001571279131 945769823 /nfs/dbraw/zinc/76/98/23/945769823.db2.gz JHZBPWPLDXYNAQ-CHWSQXEVSA-N -1 1 387.444 1.137 20 0 GDADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1CCN(C(=O)CC2(O)CCC2)CC1 ZINC001571279359 945776104 /nfs/dbraw/zinc/77/61/04/945776104.db2.gz VPJKKAPYCZODAE-LBPRGKRZSA-N -1 1 386.460 1.001 20 0 GDADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1CCN(C(=O)CC2(O)CCC2)CC1 ZINC001571279359 945776111 /nfs/dbraw/zinc/77/61/11/945776111.db2.gz VPJKKAPYCZODAE-LBPRGKRZSA-N -1 1 386.460 1.001 20 0 GDADMM Cc1ncc(C(=O)N[C@@H]2CCCC[C@H]2Nc2snc(C)c2-c2nn[n-]n2)[nH]1 ZINC001571281691 945810918 /nfs/dbraw/zinc/81/09/18/945810918.db2.gz LWYHNKHBJPHJRM-GHMZBOCLSA-N -1 1 387.473 1.816 20 0 GDADMM Cc1nsc(N(C)C(=O)c2ccc3c(c2)NC(=O)CS3)c1-c1nnn[n-]1 ZINC001571282272 945835687 /nfs/dbraw/zinc/83/56/87/945835687.db2.gz FSTKGFOPWGIVER-UHFFFAOYSA-N -1 1 387.450 1.952 20 0 GDADMM Cc1nsc(N(C)C(=O)c2ccc3c(c2)NC(=O)CS3)c1-c1nn[n-]n1 ZINC001571282272 945835702 /nfs/dbraw/zinc/83/57/02/945835702.db2.gz FSTKGFOPWGIVER-UHFFFAOYSA-N -1 1 387.450 1.952 20 0 GDADMM Cc1cc(CCC(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)s3)CC2)no1 ZINC001571282420 945841593 /nfs/dbraw/zinc/84/15/93/945841593.db2.gz XXKKHWNEJOPFOO-UHFFFAOYSA-N -1 1 387.469 1.502 20 0 GDADMM CCn1cc(C(=O)N2CC[C@H](Nc3snc(C)c3-c3nn[n-]n3)[C@H]2C)cn1 ZINC001571282487 945845711 /nfs/dbraw/zinc/84/57/11/945845711.db2.gz ZXDZOBHPCKUXTA-PWSUYJOCSA-N -1 1 387.473 1.563 20 0 GDADMM C[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CN1C(=O)c1cc(Cl)cn1C ZINC001571283411 945882755 /nfs/dbraw/zinc/88/27/55/945882755.db2.gz FJYCZXHCKKIEDS-KOLCDFICSA-N -1 1 387.835 1.364 20 0 GDADMM C[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CN1C(=O)c1cc(Cl)cn1C ZINC001571283411 945882773 /nfs/dbraw/zinc/88/27/73/945882773.db2.gz FJYCZXHCKKIEDS-KOLCDFICSA-N -1 1 387.835 1.364 20 0 GDADMM O=C(c1ccc(C(F)F)o1)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1 ZINC001571285309 945913026 /nfs/dbraw/zinc/91/30/26/945913026.db2.gz ATLFPVMLDYKXED-IUCAKERBSA-N -1 1 388.338 1.291 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCCC1OCCCO1 ZINC000822010107 945920874 /nfs/dbraw/zinc/92/08/74/945920874.db2.gz NRKLMDQMOKKSCN-UHFFFAOYSA-N -1 1 377.401 1.213 20 0 GDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCCc1ccc2c(c1)OC(F)(F)O2 ZINC001571285758 945927345 /nfs/dbraw/zinc/92/73/45/945927345.db2.gz NAVVYMVKRWQACQ-UHFFFAOYSA-N -1 1 388.334 1.485 20 0 GDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCCc1ccc2c(c1)OC(F)(F)O2 ZINC001571285758 945927350 /nfs/dbraw/zinc/92/73/50/945927350.db2.gz NAVVYMVKRWQACQ-UHFFFAOYSA-N -1 1 388.334 1.485 20 0 GDADMM CCC(C)(CC)C(=O)N1CCCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571289561 946008469 /nfs/dbraw/zinc/00/84/69/946008469.db2.gz HNOQSBWTPROOEN-ZDUSSCGKSA-N -1 1 388.476 1.512 20 0 GDADMM CCC(C)(CC)C(=O)N1CCCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571289561 946008480 /nfs/dbraw/zinc/00/84/80/946008480.db2.gz HNOQSBWTPROOEN-ZDUSSCGKSA-N -1 1 388.476 1.512 20 0 GDADMM Cc1nsc(NC[C@H]2CCC[C@H]2NC(=O)c2ncoc2C)c1-c1nn[n-]n1 ZINC001571289570 946009964 /nfs/dbraw/zinc/00/99/64/946009964.db2.gz HWEJPDQCLSOWHV-GHMZBOCLSA-N -1 1 388.457 1.939 20 0 GDADMM CC1(C)CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1NC(=O)c1ccoc1Cl ZINC001571290319 946038507 /nfs/dbraw/zinc/03/85/07/946038507.db2.gz AKAABBZHHQEVLC-NSHDSACASA-N -1 1 388.819 1.548 20 0 GDADMM CC1(C)CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1NC(=O)c1ccoc1Cl ZINC001571290319 946038515 /nfs/dbraw/zinc/03/85/15/946038515.db2.gz AKAABBZHHQEVLC-NSHDSACASA-N -1 1 388.819 1.548 20 0 GDADMM CN(C[C@@H]1CCCN1C(=O)c1ccoc1Cl)c1cnc(-c2nnn[n-]2)cn1 ZINC001571290438 946040438 /nfs/dbraw/zinc/04/04/38/946040438.db2.gz FBQGOFYSCVTCNS-JTQLQIEISA-N -1 1 388.819 1.644 20 0 GDADMM CN(C[C@@H]1CCCN1C(=O)c1ccoc1Cl)c1cnc(-c2nn[n-]n2)cn1 ZINC001571290438 946040450 /nfs/dbraw/zinc/04/04/50/946040450.db2.gz FBQGOFYSCVTCNS-JTQLQIEISA-N -1 1 388.819 1.644 20 0 GDADMM O=C(N[C@@H]1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccoc1Cl ZINC001571290443 946042992 /nfs/dbraw/zinc/04/29/92/946042992.db2.gz FFOXHTRAZFPERN-VHSXEESVSA-N -1 1 388.819 1.478 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccoc2Cl)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571290924 946060310 /nfs/dbraw/zinc/06/03/10/946060310.db2.gz UVTBBJMERAHIGR-NXEZZACHSA-N -1 1 388.819 1.723 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccoc2Cl)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571290924 946060324 /nfs/dbraw/zinc/06/03/24/946060324.db2.gz UVTBBJMERAHIGR-NXEZZACHSA-N -1 1 388.819 1.723 20 0 GDADMM Cc1ccc([C@@H](NC(=O)c2coc(-c3nnn[n-]3)c2)[C@H](C)S(C)(=O)=O)cc1 ZINC001571293226 946097460 /nfs/dbraw/zinc/09/74/60/946097460.db2.gz BPULZQPCCLSVNC-NHYWBVRUSA-N -1 1 389.437 1.672 20 0 GDADMM Cc1ccc([C@@H](NC(=O)c2coc(-c3nn[n-]n3)c2)[C@H](C)S(C)(=O)=O)cc1 ZINC001571293226 946097473 /nfs/dbraw/zinc/09/74/73/946097473.db2.gz BPULZQPCCLSVNC-NHYWBVRUSA-N -1 1 389.437 1.672 20 0 GDADMM Cc1ccc([C@H](NC(=O)c2coc(-c3nnn[n-]3)c2)[C@@H](C)S(C)(=O)=O)cc1 ZINC001571293225 946098116 /nfs/dbraw/zinc/09/81/16/946098116.db2.gz BPULZQPCCLSVNC-IAQYHMDHSA-N -1 1 389.437 1.672 20 0 GDADMM Cc1ccc([C@H](NC(=O)c2coc(-c3nn[n-]n3)c2)[C@@H](C)S(C)(=O)=O)cc1 ZINC001571293225 946098126 /nfs/dbraw/zinc/09/81/26/946098126.db2.gz BPULZQPCCLSVNC-IAQYHMDHSA-N -1 1 389.437 1.672 20 0 GDADMM CC(F)(F)C1(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571294231 946129605 /nfs/dbraw/zinc/12/96/05/946129605.db2.gz BMCLIYAKZZHSBA-PHIMTYICSA-N -1 1 390.398 1.272 20 0 GDADMM CC(F)(F)C1(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571294231 946129612 /nfs/dbraw/zinc/12/96/12/946129612.db2.gz BMCLIYAKZZHSBA-PHIMTYICSA-N -1 1 390.398 1.272 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CN(C(=O)c3cc(Cl)no3)C[C@H]2C)n1 ZINC001571294777 946146030 /nfs/dbraw/zinc/14/60/30/946146030.db2.gz MCUFGHZUZSVAGP-GMSGAONNSA-N -1 1 389.807 1.179 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CN(C(=O)c3cc(Cl)no3)C[C@H]2C)n1 ZINC001571294777 946146033 /nfs/dbraw/zinc/14/60/33/946146033.db2.gz MCUFGHZUZSVAGP-GMSGAONNSA-N -1 1 389.807 1.179 20 0 GDADMM C[C@@]1(NC(=O)c2ccc(C(F)F)o2)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571294920 946147657 /nfs/dbraw/zinc/14/76/57/946147657.db2.gz PUOOPWITTHNSOV-MRXNPFEDSA-N -1 1 390.354 1.586 20 0 GDADMM C[C@@]1(NC(=O)c2ccc(C(F)F)o2)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571294920 946147663 /nfs/dbraw/zinc/14/76/63/946147663.db2.gz PUOOPWITTHNSOV-MRXNPFEDSA-N -1 1 390.354 1.586 20 0 GDADMM Cc1nsc(N2CCO[C@@H](CNC(=O)[C@H]3CC34CCC4)C2)c1-c1nn[n-]n1 ZINC001571295026 946152157 /nfs/dbraw/zinc/15/21/57/946152157.db2.gz NQNSQIRWXMNYLR-NWDGAFQWSA-N -1 1 389.485 1.143 20 0 GDADMM O=C(c1ccc(C(F)F)o1)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571295190 946156807 /nfs/dbraw/zinc/15/68/07/946156807.db2.gz VLRZNULICIRIFG-SECBINFHSA-N -1 1 390.354 1.762 20 0 GDADMM O=C(c1ccc(C(F)F)o1)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571295190 946156814 /nfs/dbraw/zinc/15/68/14/946156814.db2.gz VLRZNULICIRIFG-SECBINFHSA-N -1 1 390.354 1.762 20 0 GDADMM O=C(c1ccc(C(F)F)o1)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571295192 946157802 /nfs/dbraw/zinc/15/78/02/946157802.db2.gz VLRZNULICIRIFG-VIFPVBQESA-N -1 1 390.354 1.762 20 0 GDADMM O=C(c1ccc(C(F)F)o1)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571295192 946157807 /nfs/dbraw/zinc/15/78/07/946157807.db2.gz VLRZNULICIRIFG-VIFPVBQESA-N -1 1 390.354 1.762 20 0 GDADMM COc1cc(C(=O)N2CC[C@H](Nc3snc(C)c3-c3nn[n-]n3)[C@H]2C)on1 ZINC001571295888 946177623 /nfs/dbraw/zinc/17/76/23/946177623.db2.gz IOWKPOIRUCTOKI-BDAKNGLRSA-N -1 1 390.429 1.343 20 0 GDADMM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cn1)c1nc(C2CC2)no1 ZINC001571296326 946191794 /nfs/dbraw/zinc/19/17/94/946191794.db2.gz VAXGAGJACKWXGU-LBPRGKRZSA-N -1 1 390.429 1.198 20 0 GDADMM O=C(NC[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)C1Cc2ccccc2C1 ZINC001571297860 946198540 /nfs/dbraw/zinc/19/85/40/946198540.db2.gz BPFCJPPZXBSRGK-YGUOUDRMSA-N -1 1 390.451 1.378 20 0 GDADMM O=C(NC[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)C1Cc2ccccc2C1 ZINC001571297860 946198547 /nfs/dbraw/zinc/19/85/47/946198547.db2.gz BPFCJPPZXBSRGK-YGUOUDRMSA-N -1 1 390.451 1.378 20 0 GDADMM O=C(N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cccc(C2CC2)c1 ZINC001571297981 946202167 /nfs/dbraw/zinc/20/21/67/946202167.db2.gz GISRZLQSNSFJBQ-MRXNPFEDSA-N -1 1 390.451 1.933 20 0 GDADMM O=C(N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cccc(C2CC2)c1 ZINC001571297981 946202176 /nfs/dbraw/zinc/20/21/76/946202176.db2.gz GISRZLQSNSFJBQ-MRXNPFEDSA-N -1 1 390.451 1.933 20 0 GDADMM Cc1nsc(N(C)C[C@H]2CCCN2C(=O)c2ccsn2)c1-c1nn[n-]n1 ZINC001571298224 946210591 /nfs/dbraw/zinc/21/05/91/946210591.db2.gz KILCFQIECUEJEF-SNVBAGLBSA-N -1 1 390.498 1.829 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCN3c3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001571298573 946220651 /nfs/dbraw/zinc/22/06/51/946220651.db2.gz HFBURAVFKYDNAA-DOTOQJQBSA-N -1 1 390.451 1.706 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCN3c3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001571298573 946220666 /nfs/dbraw/zinc/22/06/66/946220666.db2.gz HFBURAVFKYDNAA-DOTOQJQBSA-N -1 1 390.451 1.706 20 0 GDADMM CN(C(=O)c1ccsc1Cl)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571298853 946229182 /nfs/dbraw/zinc/22/91/82/946229182.db2.gz FIWFGNFKUKWTAO-SECBINFHSA-N -1 1 390.860 1.723 20 0 GDADMM CN(C(=O)c1ccsc1Cl)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571298853 946229193 /nfs/dbraw/zinc/22/91/93/946229193.db2.gz FIWFGNFKUKWTAO-SECBINFHSA-N -1 1 390.860 1.723 20 0 GDADMM C[C@]1(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)CCc2ccccc21 ZINC001571298948 946235573 /nfs/dbraw/zinc/23/55/73/946235573.db2.gz MFSWUXQUABHOFM-VLIAUNLRSA-N -1 1 390.451 1.574 20 0 GDADMM C[C@]1(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)CCc2ccccc21 ZINC001571298948 946235583 /nfs/dbraw/zinc/23/55/83/946235583.db2.gz MFSWUXQUABHOFM-VLIAUNLRSA-N -1 1 390.451 1.574 20 0 GDADMM Cc1nsc(N2CC[C@@H](NC(=O)c3cc(F)c[nH]3)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571299173 946239631 /nfs/dbraw/zinc/23/96/31/946239631.db2.gz ORGGPOHDIAOHFN-LDYMZIIASA-N -1 1 390.448 1.886 20 0 GDADMM COc1ncc(NC(=O)c2cc(Br)ccc2[O-])cc1-c1nn[nH]n1 ZINC001571299320 946247007 /nfs/dbraw/zinc/24/70/07/946247007.db2.gz KLQSFFQHJLHNHS-UHFFFAOYSA-N -1 1 391.185 1.991 20 0 GDADMM O=C(c1sccc1Cl)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571299351 946249623 /nfs/dbraw/zinc/24/96/23/946249623.db2.gz LKPBCQXHFNIHNF-VIFPVBQESA-N -1 1 390.860 1.510 20 0 GDADMM CC(=O)N[C@H](CC(=O)NCc1ccnc(-c2nnn[n-]2)c1)c1ccc(C)cc1 ZINC001573487832 946259955 /nfs/dbraw/zinc/25/99/55/946259955.db2.gz UKQXPSNZWPPIKZ-MRXNPFEDSA-N -1 1 379.424 1.454 20 0 GDADMM CC(=O)N[C@H](CC(=O)NCc1ccnc(-c2nn[n-]n2)c1)c1ccc(C)cc1 ZINC001573487832 946259962 /nfs/dbraw/zinc/25/99/62/946259962.db2.gz UKQXPSNZWPPIKZ-MRXNPFEDSA-N -1 1 379.424 1.454 20 0 GDADMM C[C@]1(c2ccccc2)C[C@H]1C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571299765 946262242 /nfs/dbraw/zinc/26/22/42/946262242.db2.gz UFXYJUULFLAOEU-VPCSNGCSSA-N -1 1 390.451 1.116 20 0 GDADMM Cc1cccc(C(=O)N2CCC[C@H]3[C@H]2CCN3c2cnc(-c3nnn[n-]3)cn2)c1 ZINC001571299839 946264940 /nfs/dbraw/zinc/26/49/40/946264940.db2.gz WKTJFSLHCURACU-DLBZAZTESA-N -1 1 390.451 1.849 20 0 GDADMM Cc1cccc(C(=O)N2CCC[C@H]3[C@H]2CCN3c2cnc(-c3nn[n-]n3)cn2)c1 ZINC001571299839 946264951 /nfs/dbraw/zinc/26/49/51/946264951.db2.gz WKTJFSLHCURACU-DLBZAZTESA-N -1 1 390.451 1.849 20 0 GDADMM Cc1cncc(C(=O)N2CCC[C@@H]3[C@H]2CCN3c2nccnc2-c2nnn[n-]2)c1 ZINC001571302615 946307615 /nfs/dbraw/zinc/30/76/15/946307615.db2.gz CTEZXAZRXCTBLI-HUUCEWRRSA-N -1 1 391.439 1.244 20 0 GDADMM Cc1cncc(C(=O)N2CCC[C@@H]3[C@H]2CCN3c2nccnc2-c2nn[n-]n2)c1 ZINC001571302615 946307626 /nfs/dbraw/zinc/30/76/26/946307626.db2.gz CTEZXAZRXCTBLI-HUUCEWRRSA-N -1 1 391.439 1.244 20 0 GDADMM Cc1cncc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)nn2)c1 ZINC001571302901 946318559 /nfs/dbraw/zinc/31/85/59/946318559.db2.gz IRNCNBMHGXAINP-GASCZTMLSA-N -1 1 391.439 1.244 20 0 GDADMM Cc1cncc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)nn2)c1 ZINC001571302901 946318571 /nfs/dbraw/zinc/31/85/71/946318571.db2.gz IRNCNBMHGXAINP-GASCZTMLSA-N -1 1 391.439 1.244 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1ccc(Oc2cccc(F)c2)nc1 ZINC000823131123 946324627 /nfs/dbraw/zinc/32/46/27/946324627.db2.gz CEWFEDWTBBZRSY-UHFFFAOYSA-N -1 1 395.358 1.101 20 0 GDADMM Cc1cccnc1C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001571303767 946348229 /nfs/dbraw/zinc/34/82/29/946348229.db2.gz XMFLBQRGIKUEIW-IHRRRGAJSA-N -1 1 391.439 1.147 20 0 GDADMM Cc1cccnc1C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001571303767 946348238 /nfs/dbraw/zinc/34/82/38/946348238.db2.gz XMFLBQRGIKUEIW-IHRRRGAJSA-N -1 1 391.439 1.147 20 0 GDADMM C[C@H]1CN(C(=O)c2cccnc2C2CC2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571304178 946359866 /nfs/dbraw/zinc/35/98/66/946359866.db2.gz ZPESYZQNGPHXSW-XHDPSFHLSA-N -1 1 391.439 1.502 20 0 GDADMM C[C@H]1CN(C(=O)c2cccnc2C2CC2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571304178 946359872 /nfs/dbraw/zinc/35/98/72/946359872.db2.gz ZPESYZQNGPHXSW-XHDPSFHLSA-N -1 1 391.439 1.502 20 0 GDADMM Cc1nsc(N2CC[C@H](NC(=O)C3CCOCC3)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571305457 946364031 /nfs/dbraw/zinc/36/40/31/946364031.db2.gz BSIZDCICMCBMGF-MFKMUULPSA-N -1 1 391.501 1.532 20 0 GDADMM Cc1nsc(N2C[C@@H](NC(=O)c3csnn3)CC[C@H]2C)c1-c1nn[n-]n1 ZINC001571305446 946364333 /nfs/dbraw/zinc/36/43/33/946364333.db2.gz BIQLTIRFPKEZCT-APPZFPTMSA-N -1 1 391.486 1.270 20 0 GDADMM Cc1nsc(N[C@@H]2CN(C(=O)C3CCC(O)CC3)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571305614 946370173 /nfs/dbraw/zinc/37/01/73/946370173.db2.gz HNHIAWDUGKIDTA-SARFZWSYSA-N -1 1 391.501 1.442 20 0 GDADMM C[C@@H]1C[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)CN1C(=O)c1ncccn1 ZINC001571306164 946391708 /nfs/dbraw/zinc/39/17/08/946391708.db2.gz QFJMKODJYLQWFQ-HTQZYQBOSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1C[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)CN1C(=O)c1ncccn1 ZINC001571306164 946391721 /nfs/dbraw/zinc/39/17/21/946391721.db2.gz QFJMKODJYLQWFQ-HTQZYQBOSA-N -1 1 391.848 1.482 20 0 GDADMM Cc1nsc(N2CCO[C@@H](CNC(=O)[C@@H]3CCC3(C)C)C2)c1-c1nn[n-]n1 ZINC001571306318 946396442 /nfs/dbraw/zinc/39/64/42/946396442.db2.gz SPAXECLZZOHXEH-RYUDHWBXSA-N -1 1 391.501 1.389 20 0 GDADMM Cc1nsc(NCC2CC(NC(=O)CC3CCOCC3)C2)c1-c1nn[n-]n1 ZINC001571306587 946404962 /nfs/dbraw/zinc/40/49/62/946404962.db2.gz YDCHGCUJWNWCOB-UHFFFAOYSA-N -1 1 391.501 1.755 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571307291 946423489 /nfs/dbraw/zinc/42/34/89/946423489.db2.gz CNSQUTMJTQWYCO-QGZVFWFLSA-N -1 1 392.414 1.521 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571307291 946423494 /nfs/dbraw/zinc/42/34/94/946423494.db2.gz CNSQUTMJTQWYCO-QGZVFWFLSA-N -1 1 392.414 1.521 20 0 GDADMM CCc1nc(N[C@@H]2CN(C(=O)C3(C(F)F)CC3)C[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571308260 946430431 /nfs/dbraw/zinc/43/04/31/946430431.db2.gz NMYKXNSZGKOXGB-GXSJLCMTSA-N -1 1 392.414 1.523 20 0 GDADMM CCc1nc(N[C@@H]2CN(C(=O)C3(C(F)F)CC3)C[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571308260 946430441 /nfs/dbraw/zinc/43/04/41/946430441.db2.gz NMYKXNSZGKOXGB-GXSJLCMTSA-N -1 1 392.414 1.523 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCCCN2C(=O)C2CC(F)(F)C2)n1 ZINC001571309030 946439459 /nfs/dbraw/zinc/43/94/59/946439459.db2.gz WCEOXRKIOJWVCF-GFCCVEGCSA-N -1 1 392.414 1.803 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCCCN2C(=O)C2CC(F)(F)C2)n1 ZINC001571309030 946439467 /nfs/dbraw/zinc/43/94/67/946439467.db2.gz WCEOXRKIOJWVCF-GFCCVEGCSA-N -1 1 392.414 1.803 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1CNC(=O)[C@H]1CCC(F)(F)C1 ZINC001571309109 946440285 /nfs/dbraw/zinc/44/02/85/946440285.db2.gz WSLGYUSMEDVRIY-GRYCIOLGSA-N -1 1 392.414 1.281 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1CNC(=O)[C@H]1CCC(F)(F)C1 ZINC001571309109 946440289 /nfs/dbraw/zinc/44/02/89/946440289.db2.gz WSLGYUSMEDVRIY-GRYCIOLGSA-N -1 1 392.414 1.281 20 0 GDADMM O=C(N[C@@H]1[C@H]2CN(c3nc(-c4nn[n-]n4)c(Cl)s3)C[C@H]21)[C@@H]1C[C@H]1C1CC1 ZINC001571309211 946441717 /nfs/dbraw/zinc/44/17/17/946441717.db2.gz XPLDUVUOMKDFTB-OGBGREFGSA-N -1 1 391.888 1.574 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H]3[C@@H]2CCCN3C(=O)CC(C)(F)F)n1 ZINC001571309357 946442522 /nfs/dbraw/zinc/44/25/22/946442522.db2.gz YFYJHZYDRDPCMP-QWHCGFSZSA-N -1 1 392.414 1.580 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H]3[C@@H]2CCCN3C(=O)CC(C)(F)F)n1 ZINC001571309357 946442528 /nfs/dbraw/zinc/44/25/28/946442528.db2.gz YFYJHZYDRDPCMP-QWHCGFSZSA-N -1 1 392.414 1.580 20 0 GDADMM O=C([C@H]1CCCC(F)(F)C1)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571309410 946445031 /nfs/dbraw/zinc/44/50/31/946445031.db2.gz ZLHFEIHFBHHGTL-RYUDHWBXSA-N -1 1 392.414 1.885 20 0 GDADMM O=C([C@H]1CCCC(F)(F)C1)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571309410 946445037 /nfs/dbraw/zinc/44/50/37/946445037.db2.gz ZLHFEIHFBHHGTL-RYUDHWBXSA-N -1 1 392.414 1.885 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CC[C@H]21 ZINC001571309421 946445233 /nfs/dbraw/zinc/44/52/33/946445233.db2.gz ZNMUHWGHVXZQPV-VXGBXAGGSA-N -1 1 392.414 1.519 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccc2c(c1)COC2 ZINC001571309959 946457279 /nfs/dbraw/zinc/45/72/79/946457279.db2.gz QMGQYKDPVHEKFP-OAHLLOKOSA-N -1 1 392.423 1.086 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccc2c(c1)COC2 ZINC001571309959 946457283 /nfs/dbraw/zinc/45/72/83/946457283.db2.gz QMGQYKDPVHEKFP-OAHLLOKOSA-N -1 1 392.423 1.086 20 0 GDADMM COc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nnn[n-]3)nn2)c1 ZINC001571310132 946464663 /nfs/dbraw/zinc/46/46/63/946464663.db2.gz WDOMQCBBNCBHLM-KCXAZCMYSA-N -1 1 392.423 1.205 20 0 GDADMM COc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nn2)c1 ZINC001571310132 946464668 /nfs/dbraw/zinc/46/46/68/946464668.db2.gz WDOMQCBBNCBHLM-KCXAZCMYSA-N -1 1 392.423 1.205 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)C1CCC(F)(F)CC1 ZINC001571310252 946466815 /nfs/dbraw/zinc/46/68/15/946466815.db2.gz ZTMREUKCOMEIRX-UMSPYCQHSA-N -1 1 392.414 1.789 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)C1CCC(F)(F)CC1 ZINC001571310252 946466823 /nfs/dbraw/zinc/46/68/23/946466823.db2.gz ZTMREUKCOMEIRX-UMSPYCQHSA-N -1 1 392.414 1.789 20 0 GDADMM CC(C)(Cc1ccccc1)C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571310572 946476357 /nfs/dbraw/zinc/47/63/57/946476357.db2.gz JHEZQKGXMKBWFY-HNNXBMFYSA-N -1 1 392.467 1.360 20 0 GDADMM CN(C)C(=O)c1cccc(S(=O)(=O)NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC001571311199 946485537 /nfs/dbraw/zinc/48/55/37/946485537.db2.gz SUVWUNOFJZFKTH-UHFFFAOYSA-N -1 1 392.466 1.109 20 0 GDADMM O=C(N[C@@H]1Cc2ccccc2[C@H]1Nc1cnc(-c2nnn[n-]2)cn1)[C@H]1CCCO1 ZINC001571312379 946490235 /nfs/dbraw/zinc/49/02/35/946490235.db2.gz BEBOWKKHMAGPBH-FRFSOERESA-N -1 1 392.423 1.030 20 0 GDADMM O=C(N[C@@H]1Cc2ccccc2[C@H]1Nc1cnc(-c2nn[n-]n2)cn1)[C@H]1CCCO1 ZINC001571312379 946490238 /nfs/dbraw/zinc/49/02/38/946490238.db2.gz BEBOWKKHMAGPBH-FRFSOERESA-N -1 1 392.423 1.030 20 0 GDADMM C[C@H]1CCCN(C(=O)Cc2ccccc2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571312775 946500338 /nfs/dbraw/zinc/50/03/38/946500338.db2.gz CUGWMWHNZSTWHD-YOEHRIQHSA-N -1 1 392.467 1.938 20 0 GDADMM C[C@H]1CCCN(C(=O)Cc2ccccc2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571312775 946500355 /nfs/dbraw/zinc/50/03/55/946500355.db2.gz CUGWMWHNZSTWHD-YOEHRIQHSA-N -1 1 392.467 1.938 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)c1ccccc1 ZINC001571313170 946513201 /nfs/dbraw/zinc/51/32/01/946513201.db2.gz JCFNGSPNFJMUGP-GOEBONIOSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)c1ccccc1 ZINC001571313170 946513210 /nfs/dbraw/zinc/51/32/10/946513210.db2.gz JCFNGSPNFJMUGP-GOEBONIOSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001571313287 946517841 /nfs/dbraw/zinc/51/78/41/946517841.db2.gz LPIUKRIDKPRGFW-GOEBONIOSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001571313287 946517854 /nfs/dbraw/zinc/51/78/54/946517854.db2.gz LPIUKRIDKPRGFW-GOEBONIOSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1)c1ccccc1 ZINC001571313466 946522181 /nfs/dbraw/zinc/52/21/81/946522181.db2.gz OWQGEXWDQKPKGY-ZBFHGGJFSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1)c1ccccc1 ZINC001571313466 946522184 /nfs/dbraw/zinc/52/21/84/946522184.db2.gz OWQGEXWDQKPKGY-ZBFHGGJFSA-N -1 1 392.467 1.936 20 0 GDADMM CCc1ccccc1CC(=O)N1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571313520 946525194 /nfs/dbraw/zinc/52/51/94/946525194.db2.gz QPXOLFMINRDQPG-AWEZNQCLSA-N -1 1 392.467 1.722 20 0 GDADMM CCc1ccccc1CC(=O)N1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571313520 946525207 /nfs/dbraw/zinc/52/52/07/946525207.db2.gz QPXOLFMINRDQPG-AWEZNQCLSA-N -1 1 392.467 1.722 20 0 GDADMM CCc1cccc(CC(=O)NC2CC(CNc3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571313688 946530819 /nfs/dbraw/zinc/53/08/19/946530819.db2.gz TXJXAZAEHXNJCN-UHFFFAOYSA-N -1 1 392.467 1.769 20 0 GDADMM CCc1cccc(CC(=O)NC2CC(CNc3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571313688 946530828 /nfs/dbraw/zinc/53/08/28/946530828.db2.gz TXJXAZAEHXNJCN-UHFFFAOYSA-N -1 1 392.467 1.769 20 0 GDADMM CCc1ccc(CCC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)CC2)cc1 ZINC001571313985 946539046 /nfs/dbraw/zinc/53/90/46/946539046.db2.gz YNWGDULDRUWIJN-UHFFFAOYSA-N -1 1 392.467 1.501 20 0 GDADMM CCc1ccc(CCC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)CC2)cc1 ZINC001571313985 946539051 /nfs/dbraw/zinc/53/90/51/946539051.db2.gz YNWGDULDRUWIJN-UHFFFAOYSA-N -1 1 392.467 1.501 20 0 GDADMM CCc1ccccc1C(=O)N1CCC[C@@H]1CN(C)c1nccnc1-c1nnn[n-]1 ZINC001571314040 946540464 /nfs/dbraw/zinc/54/04/64/946540464.db2.gz YYTWOYHDBFQOKI-OAHLLOKOSA-N -1 1 392.467 1.960 20 0 GDADMM CCc1ccccc1C(=O)N1CCC[C@@H]1CN(C)c1nccnc1-c1nn[n-]n1 ZINC001571314040 946540474 /nfs/dbraw/zinc/54/04/74/946540474.db2.gz YYTWOYHDBFQOKI-OAHLLOKOSA-N -1 1 392.467 1.960 20 0 GDADMM Cc1ccc(C)c(C(=O)N2CC[C@H](CCNc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571315844 946560609 /nfs/dbraw/zinc/56/06/09/946560609.db2.gz PHHITYSDDNNRQC-HNNXBMFYSA-N -1 1 392.467 1.660 20 0 GDADMM Cc1ccccc1CC(=O)N1CC[C@H]([C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571316688 946584243 /nfs/dbraw/zinc/58/42/43/946584243.db2.gz JZEVVPIMQIMZPK-HOCLYGCPSA-N -1 1 392.467 1.857 20 0 GDADMM Cc1ccccc1CC(=O)N1CC[C@H]([C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571316688 946584253 /nfs/dbraw/zinc/58/42/53/946584253.db2.gz JZEVVPIMQIMZPK-HOCLYGCPSA-N -1 1 392.467 1.857 20 0 GDADMM CC(C)(C)OC(=O)Nc1cnc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cn1 ZINC000824113847 946594562 /nfs/dbraw/zinc/59/45/62/946594562.db2.gz FQQKULHYOVRXPM-UHFFFAOYSA-N -1 1 398.383 1.756 20 0 GDADMM CC(C)(C)OC(=O)Nc1cnc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cn1 ZINC000824113847 946594569 /nfs/dbraw/zinc/59/45/69/946594569.db2.gz FQQKULHYOVRXPM-UHFFFAOYSA-N -1 1 398.383 1.756 20 0 GDADMM O=C(CCn1cccc1)N1CC[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571317369 946608002 /nfs/dbraw/zinc/60/80/02/946608002.db2.gz FIPYAKKCFJXVPA-SNVBAGLBSA-N -1 1 392.876 1.881 20 0 GDADMM C[C@H](C(=O)N1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)CC1)n1cccc1 ZINC001571317909 946624332 /nfs/dbraw/zinc/62/43/32/946624332.db2.gz XXUOKPJKNIPCPW-SNVBAGLBSA-N -1 1 392.876 1.688 20 0 GDADMM Brc1cnc([C@H]2CCCN(c3cc(-c4nnn[n-]4)ncn3)C2)nc1 ZINC001573279300 946637749 /nfs/dbraw/zinc/63/77/49/946637749.db2.gz HIJIDWUIFKZIBS-VIFPVBQESA-N -1 1 388.233 1.593 20 0 GDADMM Brc1cnc([C@H]2CCCN(c3cc(-c4nn[n-]n4)ncn3)C2)nc1 ZINC001573279300 946637754 /nfs/dbraw/zinc/63/77/54/946637754.db2.gz HIJIDWUIFKZIBS-VIFPVBQESA-N -1 1 388.233 1.593 20 0 GDADMM CC(C)COc1ncc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1Cl ZINC000824271069 946641236 /nfs/dbraw/zinc/64/12/36/946641236.db2.gz KTRYLSXVTJGUGN-UHFFFAOYSA-N -1 1 376.808 1.936 20 0 GDADMM CC(C)COc1ncc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1Cl ZINC000824271069 946641249 /nfs/dbraw/zinc/64/12/49/946641249.db2.gz KTRYLSXVTJGUGN-UHFFFAOYSA-N -1 1 376.808 1.936 20 0 GDADMM CC(=O)c1cc(Cn2c(C)c(Br)cc(-c3nn[n-]n3)c2=O)on1 ZINC001573554389 946900156 /nfs/dbraw/zinc/90/01/56/946900156.db2.gz SNOBVUVQOOWPKA-UHFFFAOYSA-N -1 1 379.174 1.338 20 0 GDADMM CCOC(=O)[C@@H](CCOC(C)(C)C)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000825492124 947203080 /nfs/dbraw/zinc/20/30/80/947203080.db2.gz DEJDEGCWWYEQEY-SNVBAGLBSA-N -1 1 381.458 1.795 20 0 GDADMM CCOC(=O)[C@@H](CCOC(C)(C)C)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000825492124 947203092 /nfs/dbraw/zinc/20/30/92/947203092.db2.gz DEJDEGCWWYEQEY-SNVBAGLBSA-N -1 1 381.458 1.795 20 0 GDADMM C=C/C(C)=C\CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001573315542 947254416 /nfs/dbraw/zinc/25/44/16/947254416.db2.gz CQOULWFIMXMCPM-XAYDYBNWSA-N -1 1 380.456 1.653 20 0 GDADMM C=C/C(C)=C\CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001573315542 947254425 /nfs/dbraw/zinc/25/44/25/947254425.db2.gz CQOULWFIMXMCPM-XAYDYBNWSA-N -1 1 380.456 1.653 20 0 GDADMM C=C/C(C)=C\CC(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001573315974 947262961 /nfs/dbraw/zinc/26/29/61/947262961.db2.gz DTYSSZWZRRSCFD-HNFXJGKRSA-N -1 1 380.456 1.654 20 0 GDADMM C=C/C(C)=C\CC(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001573315974 947262971 /nfs/dbraw/zinc/26/29/71/947262971.db2.gz DTYSSZWZRRSCFD-HNFXJGKRSA-N -1 1 380.456 1.654 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H](C)c1cccc(F)c1 ZINC001573586750 947294537 /nfs/dbraw/zinc/29/45/37/947294537.db2.gz SHOUAHDRWFCLGF-NEPJUHHUSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H](C)c1cccc(F)c1 ZINC001573586750 947294544 /nfs/dbraw/zinc/29/45/44/947294544.db2.gz SHOUAHDRWFCLGF-NEPJUHHUSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H](C)c1cccc(F)c1 ZINC001573587303 947307838 /nfs/dbraw/zinc/30/78/38/947307838.db2.gz ZHZQVIYJCUYHMY-NEPJUHHUSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H](C)c1cccc(F)c1 ZINC001573587303 947307855 /nfs/dbraw/zinc/30/78/55/947307855.db2.gz ZHZQVIYJCUYHMY-NEPJUHHUSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@H](C(=O)N(C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)c1ccco1 ZINC001573591768 947319690 /nfs/dbraw/zinc/31/96/90/947319690.db2.gz FHPCZUUTOHEEGT-LBPRGKRZSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@H](C(=O)N(C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)c1ccco1 ZINC001573591768 947319700 /nfs/dbraw/zinc/31/97/00/947319700.db2.gz FHPCZUUTOHEEGT-LBPRGKRZSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1ccnc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001573591881 947323060 /nfs/dbraw/zinc/32/30/60/947323060.db2.gz HDHBMLGTELVDGG-SNVBAGLBSA-N -1 1 382.419 1.266 20 0 GDADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1ccnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573594071 947387074 /nfs/dbraw/zinc/38/70/74/947387074.db2.gz WZKACXGLVGOSCG-VIFPVBQESA-N -1 1 386.382 1.174 20 0 GDADMM CC(C)N(CCN(C)c1ccnc(-c2nn[n-]n2)n1)C(=O)[C@H](C)[C@H]1CCCO1 ZINC001573603594 947491463 /nfs/dbraw/zinc/49/14/63/947491463.db2.gz IFSTVGRJQSSHRG-ZIAGYGMSSA-N -1 1 388.476 1.145 20 0 GDADMM C[C@@H](C(=O)N1CCC(C)(Nc2nccnc2-c2nnn[n-]2)CC1)c1ccco1 ZINC001573616124 947617980 /nfs/dbraw/zinc/61/79/80/947617980.db2.gz LPFCEYKKBQKEFX-GFCCVEGCSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@@H](C(=O)N1CCC(C)(Nc2nccnc2-c2nn[n-]n2)CC1)c1ccco1 ZINC001573616124 947617984 /nfs/dbraw/zinc/61/79/84/947617984.db2.gz LPFCEYKKBQKEFX-GFCCVEGCSA-N -1 1 382.428 1.846 20 0 GDADMM C=Cc1ccc(C(=O)NC2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC001573354531 947632897 /nfs/dbraw/zinc/63/28/97/947632897.db2.gz CISUHCXHOUUOSV-UHFFFAOYSA-N -1 1 376.424 1.699 20 0 GDADMM C=Cc1ccc(C(=O)NC2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)cc1 ZINC001573354531 947632898 /nfs/dbraw/zinc/63/28/98/947632898.db2.gz CISUHCXHOUUOSV-UHFFFAOYSA-N -1 1 376.424 1.699 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@@H]2[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]32)cc1 ZINC001573354916 947638499 /nfs/dbraw/zinc/63/84/99/947638499.db2.gz KEKNTCOVJLACJX-PHZGNYQRSA-N -1 1 388.435 1.412 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573355850 947645450 /nfs/dbraw/zinc/64/54/50/947645450.db2.gz QWAHPIFQPWRLSB-CQSZACIVSA-N -1 1 376.424 1.556 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CC2(C)C)cc1 ZINC001573356543 947651058 /nfs/dbraw/zinc/65/10/58/947651058.db2.gz XVVJHTVPFSRIRX-OAHLLOKOSA-N -1 1 390.451 1.945 20 0 GDADMM C/C(=C/C(=O)N(C)C[C@@H](O)CNc1snc(C)c1-c1nn[n-]n1)C1CC1 ZINC001573357926 947654861 /nfs/dbraw/zinc/65/48/61/947654861.db2.gz COJQNGBDBHZFFK-PWWFUAJNSA-N -1 1 377.474 1.219 20 0 GDADMM C/C(=C\C(=O)N[C@@H]1[C@H]2CN(c3nc(-c4nn[n-]n4)c(Cl)s3)C[C@H]21)C1CC1 ZINC001573361614 947694404 /nfs/dbraw/zinc/69/44/04/947694404.db2.gz CMKIZTFMMITDML-LVGYCTEUSA-N -1 1 391.888 1.884 20 0 GDADMM C/C(=C\C(=O)NC1(CNc2cnc(-c3nnn[n-]3)cn2)CCOCC1)C1CC1 ZINC001573364572 947722485 /nfs/dbraw/zinc/72/24/85/947722485.db2.gz QUEJXTSJRCHVQK-XYOKQWHBSA-N -1 1 384.444 1.090 20 0 GDADMM C/C(=C\C(=O)NC1(CNc2cnc(-c3nn[n-]n3)cn2)CCOCC1)C1CC1 ZINC001573364572 947722496 /nfs/dbraw/zinc/72/24/96/947722496.db2.gz QUEJXTSJRCHVQK-XYOKQWHBSA-N -1 1 384.444 1.090 20 0 GDADMM CC(=O)[C@H]1CC(C(=O)Nc2cccc(-c3nnn[n-]3)n2)=NN1c1ccccc1 ZINC001573365972 947736943 /nfs/dbraw/zinc/73/69/43/947736943.db2.gz OJXBRLROXXRHTN-OAHLLOKOSA-N -1 1 376.380 1.424 20 0 GDADMM CC(=O)[C@H]1CC(C(=O)Nc2cccc(-c3nn[n-]n3)n2)=NN1c1ccccc1 ZINC001573365972 947736954 /nfs/dbraw/zinc/73/69/54/947736954.db2.gz OJXBRLROXXRHTN-OAHLLOKOSA-N -1 1 376.380 1.424 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001573628441 947755459 /nfs/dbraw/zinc/75/54/59/947755459.db2.gz KVEQXCZCTYRZRG-NXEZZACHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001573628441 947755474 /nfs/dbraw/zinc/75/54/74/947755474.db2.gz KVEQXCZCTYRZRG-NXEZZACHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573628554 947759020 /nfs/dbraw/zinc/75/90/20/947759020.db2.gz MTCTZDIBXXOWHW-ZFWWWQNUSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573628554 947759027 /nfs/dbraw/zinc/75/90/27/947759027.db2.gz MTCTZDIBXXOWHW-ZFWWWQNUSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1cncc(-c2nnn[n-]2)n1)c1ccco1 ZINC001573628901 947767869 /nfs/dbraw/zinc/76/78/69/947767869.db2.gz PBHFPRFVYVGAML-QWHCGFSZSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1cncc(-c2nn[n-]n2)n1)c1ccco1 ZINC001573628901 947767874 /nfs/dbraw/zinc/76/78/74/947767874.db2.gz PBHFPRFVYVGAML-QWHCGFSZSA-N -1 1 382.428 1.481 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@H](C)[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001573368353 947768365 /nfs/dbraw/zinc/76/83/65/947768365.db2.gz NIKIOEILZUPQGM-GXTWGEPZSA-N -1 1 386.460 1.313 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@H](C)[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001573368353 947768371 /nfs/dbraw/zinc/76/83/71/947768371.db2.gz NIKIOEILZUPQGM-GXTWGEPZSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1)c1ccco1 ZINC001573629397 947779659 /nfs/dbraw/zinc/77/96/59/947779659.db2.gz SVJBLHLUUOJLBR-STQMWFEESA-N -1 1 382.428 1.481 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1)c1ccco1 ZINC001573629397 947779669 /nfs/dbraw/zinc/77/96/69/947779669.db2.gz SVJBLHLUUOJLBR-STQMWFEESA-N -1 1 382.428 1.481 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@H]1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573372662 947783017 /nfs/dbraw/zinc/78/30/17/947783017.db2.gz BJLSVGKCAHKNQH-AWEZNQCLSA-N -1 1 386.460 1.517 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573372662 947783029 /nfs/dbraw/zinc/78/30/29/947783029.db2.gz BJLSVGKCAHKNQH-AWEZNQCLSA-N -1 1 386.460 1.517 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@@H](CN(C)c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573372805 947783879 /nfs/dbraw/zinc/78/38/79/947783879.db2.gz DAQVRFIEGLLYBA-ZDUSSCGKSA-N -1 1 391.501 1.676 20 0 GDADMM CC(=O)CCCC(=O)N[C@@]12CCC[C@@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001573373500 947795214 /nfs/dbraw/zinc/79/52/14/947795214.db2.gz CUVBVEXEKBYANY-KBXCAEBGSA-N -1 1 384.444 1.034 20 0 GDADMM CC(=O)CCCC(=O)N[C@@]12CCC[C@@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001573373500 947795225 /nfs/dbraw/zinc/79/52/25/947795225.db2.gz CUVBVEXEKBYANY-KBXCAEBGSA-N -1 1 384.444 1.034 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1 ZINC001573373757 947798948 /nfs/dbraw/zinc/79/89/48/947798948.db2.gz LHBCYWHMLOWXET-TZMCWYRMSA-N -1 1 386.460 1.313 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1 ZINC001573373757 947798955 /nfs/dbraw/zinc/79/89/55/947798955.db2.gz LHBCYWHMLOWXET-TZMCWYRMSA-N -1 1 386.460 1.313 20 0 GDADMM Cc1ccc(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)cc1O ZINC000826281756 947811186 /nfs/dbraw/zinc/81/11/86/947811186.db2.gz IVJPILBEQXGDKD-UHFFFAOYSA-N -1 1 395.423 1.709 20 0 GDADMM C[C@H](C(=O)N1CCCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1)C1CCC1 ZINC001573637743 947821670 /nfs/dbraw/zinc/82/16/70/947821670.db2.gz OXTNTXCXCKYWJV-GXTWGEPZSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H](C(=O)N1CCCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1)C1CCC1 ZINC001573637743 947821677 /nfs/dbraw/zinc/82/16/77/947821677.db2.gz OXTNTXCXCKYWJV-GXTWGEPZSA-N -1 1 386.460 1.122 20 0 GDADMM Cc1ccc(CCNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)cc1 ZINC000826287650 947835793 /nfs/dbraw/zinc/83/57/93/947835793.db2.gz XIVLYOWZKNBPPB-UHFFFAOYSA-N -1 1 396.455 1.424 20 0 GDADMM Cc1ccc(CCNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)cc1 ZINC000826287650 947835798 /nfs/dbraw/zinc/83/57/98/947835798.db2.gz XIVLYOWZKNBPPB-UHFFFAOYSA-N -1 1 396.455 1.424 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)C1CCC1 ZINC001573638207 947836508 /nfs/dbraw/zinc/83/65/08/947836508.db2.gz JJOJRIJAHJTSIQ-AEGPPILISA-N -1 1 382.472 1.520 20 0 GDADMM CC(=O)CCCC(=O)NC[C@H]1CCCCN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573380750 947862697 /nfs/dbraw/zinc/86/26/97/947862697.db2.gz HNRYPPORDQQXRS-CQSZACIVSA-N -1 1 386.460 1.200 20 0 GDADMM CC(=O)CCCC(=O)NC[C@H]1CCCCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573380750 947862701 /nfs/dbraw/zinc/86/27/01/947862701.db2.gz HNRYPPORDQQXRS-CQSZACIVSA-N -1 1 386.460 1.200 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](C)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1)C(C)(F)F ZINC001573643671 947865761 /nfs/dbraw/zinc/86/57/61/947865761.db2.gz VZRRGUAXSKKJIS-UTUOFQBUSA-N -1 1 394.430 1.987 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](C)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001573643671 947865768 /nfs/dbraw/zinc/86/57/68/947865768.db2.gz VZRRGUAXSKKJIS-UTUOFQBUSA-N -1 1 394.430 1.987 20 0 GDADMM C[C@H](C(=O)N1C[C@@H]2CCC[C@]2(CNc2ccnc(-c3nn[n-]n3)n2)C1)C(C)(C)C ZINC001573647047 947883175 /nfs/dbraw/zinc/88/31/75/947883175.db2.gz BBDBCTRYVPSZRV-CKNLXJGOSA-N -1 1 398.515 1.801 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@@]2(C)C1)C1CCC1 ZINC001573651247 947919369 /nfs/dbraw/zinc/91/93/69/947919369.db2.gz KMXHGUJWFYKESO-CFZJUORYSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@@]2(C)C1)C1CCC1 ZINC001573651247 947919375 /nfs/dbraw/zinc/91/93/75/947919375.db2.gz KMXHGUJWFYKESO-CFZJUORYSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H](C(=O)N[C@](C)(CNc1nccnc1-c1nnn[n-]1)C1CC1)n1cccc1 ZINC001573652123 947929003 /nfs/dbraw/zinc/92/90/03/947929003.db2.gz BEOUINLHWCATQO-KZULUSFZSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](C(=O)N[C@](C)(CNc1nccnc1-c1nn[n-]n1)C1CC1)n1cccc1 ZINC001573652123 947929009 /nfs/dbraw/zinc/92/90/09/947929009.db2.gz BEOUINLHWCATQO-KZULUSFZSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1)c1cccs1 ZINC001573652100 947929378 /nfs/dbraw/zinc/92/93/78/947929378.db2.gz VDYGDYVTBLKPMZ-WOPDTQHZSA-N -1 1 382.453 1.311 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1)c1cccs1 ZINC001573652100 947929386 /nfs/dbraw/zinc/92/93/86/947929386.db2.gz VDYGDYVTBLKPMZ-WOPDTQHZSA-N -1 1 382.453 1.311 20 0 GDADMM C[C@@H](C(=O)N[C@@](C)(CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1ccco1 ZINC001573652147 947931891 /nfs/dbraw/zinc/93/18/91/947931891.db2.gz BGOUNIGBCIZORP-ZMZPIMSZSA-N -1 1 382.428 1.172 20 0 GDADMM Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826319621 947934954 /nfs/dbraw/zinc/93/49/54/947934954.db2.gz KUTOHBNVQHLRST-UHFFFAOYSA-N -1 1 394.420 1.774 20 0 GDADMM Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000826319621 947934961 /nfs/dbraw/zinc/93/49/61/947934961.db2.gz KUTOHBNVQHLRST-UHFFFAOYSA-N -1 1 394.420 1.774 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C(C)(C)C)C(C)(F)F ZINC001573652668 947944232 /nfs/dbraw/zinc/94/42/32/947944232.db2.gz GEQYVPZNXWFFEB-GXSJLCMTSA-N -1 1 382.419 1.891 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C(C)(C)C)C(C)(F)F ZINC001573652668 947944241 /nfs/dbraw/zinc/94/42/41/947944241.db2.gz GEQYVPZNXWFFEB-GXSJLCMTSA-N -1 1 382.419 1.891 20 0 GDADMM C[C@H](C(=O)N[C@](C)(CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)n1cccc1 ZINC001573653679 947959047 /nfs/dbraw/zinc/95/90/47/947959047.db2.gz NHENRQVZUSWEIW-KZULUSFZSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](C(=O)N[C@](C)(CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)n1cccc1 ZINC001573653679 947959061 /nfs/dbraw/zinc/95/90/61/947959061.db2.gz NHENRQVZUSWEIW-KZULUSFZSA-N -1 1 381.444 1.416 20 0 GDADMM Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000826333657 947968213 /nfs/dbraw/zinc/96/82/13/947968213.db2.gz QCPKRXFQIJLENQ-NSHDSACASA-N -1 1 390.835 1.765 20 0 GDADMM Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000826333657 947968218 /nfs/dbraw/zinc/96/82/18/947968218.db2.gz QCPKRXFQIJLENQ-NSHDSACASA-N -1 1 390.835 1.765 20 0 GDADMM Cc1oc(NC(=O)CN2CCO[C@@H](Cc3ccccc3)C2)c(-c2nn[n-]n2)c1C ZINC000826341283 947978855 /nfs/dbraw/zinc/97/88/55/947978855.db2.gz CCKNRITUJLUMLA-INIZCTEOSA-N -1 1 396.451 1.959 20 0 GDADMM Cc1onc(CC(=O)N(C)CCOc2cccc(Cl)c2)c1-c1nnn[n-]1 ZINC000826343363 947990199 /nfs/dbraw/zinc/99/01/99/947990199.db2.gz XONKGCZNCSQHMO-UHFFFAOYSA-N -1 1 376.804 1.896 20 0 GDADMM Cc1onc(CC(=O)N(C)CCOc2cccc(Cl)c2)c1-c1nn[n-]n1 ZINC000826343363 947990205 /nfs/dbraw/zinc/99/02/05/947990205.db2.gz XONKGCZNCSQHMO-UHFFFAOYSA-N -1 1 376.804 1.896 20 0 GDADMM Cc1onc(CC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c1-c1nnn[n-]1 ZINC000826343702 947995264 /nfs/dbraw/zinc/99/52/64/947995264.db2.gz KQJBKIAWXSCOHN-UHFFFAOYSA-N -1 1 392.423 1.988 20 0 GDADMM Cc1onc(CC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c1-c1nn[n-]n1 ZINC000826343702 947995272 /nfs/dbraw/zinc/99/52/72/947995272.db2.gz KQJBKIAWXSCOHN-UHFFFAOYSA-N -1 1 392.423 1.988 20 0 GDADMM Cc1onc(CC(=O)N2CCO[C@]3(CCc4ccccc43)C2)c1-c1nnn[n-]1 ZINC000826344563 948008859 /nfs/dbraw/zinc/00/88/59/948008859.db2.gz LDRUPMJQXQIYPI-LJQANCHMSA-N -1 1 380.408 1.406 20 0 GDADMM Cc1onc(CC(=O)N2CCO[C@]3(CCc4ccccc43)C2)c1-c1nn[n-]n1 ZINC000826344563 948008867 /nfs/dbraw/zinc/00/88/67/948008867.db2.gz LDRUPMJQXQIYPI-LJQANCHMSA-N -1 1 380.408 1.406 20 0 GDADMM Cc1onc(CC(=O)N2CCN(c3cc(F)ccc3F)CC2)c1-c1nnn[n-]1 ZINC000826344888 948015957 /nfs/dbraw/zinc/01/59/57/948015957.db2.gz VRFIXGJPIOXWPW-UHFFFAOYSA-N -1 1 389.366 1.333 20 0 GDADMM Cc1onc(CC(=O)N2CCN(c3cc(F)ccc3F)CC2)c1-c1nn[n-]n1 ZINC000826344888 948015965 /nfs/dbraw/zinc/01/59/65/948015965.db2.gz VRFIXGJPIOXWPW-UHFFFAOYSA-N -1 1 389.366 1.333 20 0 GDADMM C[C@@H](C(=O)NC1(C)CCN(c2nccnc2-c2nnn[n-]2)CC1)C(F)(F)F ZINC001573659527 948016859 /nfs/dbraw/zinc/01/68/59/948016859.db2.gz WKRCZJUTJVKBKT-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](C(=O)NC1(C)CCN(c2nccnc2-c2nn[n-]n2)CC1)C(F)(F)F ZINC001573659527 948016866 /nfs/dbraw/zinc/01/68/66/948016866.db2.gz WKRCZJUTJVKBKT-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM Cc1onc(CC(=O)N2CCOC[C@H]2C[C@H](O)c2ccccc2)c1-c1nnn[n-]1 ZINC000826345659 948028716 /nfs/dbraw/zinc/02/87/16/948028716.db2.gz QMCWPSAYBRAKPQ-ZBFHGGJFSA-N -1 1 398.423 1.057 20 0 GDADMM Cc1onc(CC(=O)N2CCOC[C@H]2C[C@H](O)c2ccccc2)c1-c1nn[n-]n1 ZINC000826345659 948028729 /nfs/dbraw/zinc/02/87/29/948028729.db2.gz QMCWPSAYBRAKPQ-ZBFHGGJFSA-N -1 1 398.423 1.057 20 0 GDADMM Cc1onc(CC(=O)N2CCOC[C@@H]2CC(=O)c2ccccc2)c1-c1nnn[n-]1 ZINC000826345905 948032868 /nfs/dbraw/zinc/03/28/68/948032868.db2.gz XQWLVGHTFFTTDK-AWEZNQCLSA-N -1 1 396.407 1.206 20 0 GDADMM Cc1onc(CC(=O)N2CCOC[C@@H]2CC(=O)c2ccccc2)c1-c1nn[n-]n1 ZINC000826345905 948032876 /nfs/dbraw/zinc/03/28/76/948032876.db2.gz XQWLVGHTFFTTDK-AWEZNQCLSA-N -1 1 396.407 1.206 20 0 GDADMM Cc1onc(CC(=O)N[C@@H]2CCCN(c3cccc(F)c3)C2)c1-c1nnn[n-]1 ZINC000826346036 948035041 /nfs/dbraw/zinc/03/50/41/948035041.db2.gz AVTTYQJVKFHJFL-CYBMUJFWSA-N -1 1 385.403 1.630 20 0 GDADMM Cc1onc(CC(=O)N[C@@H]2CCCN(c3cccc(F)c3)C2)c1-c1nn[n-]n1 ZINC000826346036 948035051 /nfs/dbraw/zinc/03/50/51/948035051.db2.gz AVTTYQJVKFHJFL-CYBMUJFWSA-N -1 1 385.403 1.630 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C(F)(F)F ZINC001573664137 948049742 /nfs/dbraw/zinc/04/97/42/948049742.db2.gz CDZBPWDJQRIBAU-UWVGGRQHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C(F)(F)F ZINC001573664137 948049750 /nfs/dbraw/zinc/04/97/50/948049750.db2.gz CDZBPWDJQRIBAU-UWVGGRQHSA-N -1 1 384.366 1.330 20 0 GDADMM Cc1onc(CC(=O)NC[C@H](O)c2ccc(OC(C)C)cc2)c1-c1nnn[n-]1 ZINC000826347513 948055165 /nfs/dbraw/zinc/05/51/65/948055165.db2.gz UDDBIRYQBPYULQ-HNNXBMFYSA-N -1 1 386.412 1.343 20 0 GDADMM Cc1onc(CC(=O)NC[C@H](O)c2ccc(OC(C)C)cc2)c1-c1nn[n-]n1 ZINC000826347513 948055173 /nfs/dbraw/zinc/05/51/73/948055173.db2.gz UDDBIRYQBPYULQ-HNNXBMFYSA-N -1 1 386.412 1.343 20 0 GDADMM Cc1onc(CC(=O)NCc2cc(Cl)c3c(c2)OCCO3)c1-c1nnn[n-]1 ZINC000826348175 948067389 /nfs/dbraw/zinc/06/73/89/948067389.db2.gz YHEBNKLUADGORH-UHFFFAOYSA-N -1 1 390.787 1.447 20 0 GDADMM Cc1onc(CC(=O)NCc2cc(Cl)c3c(c2)OCCO3)c1-c1nn[n-]n1 ZINC000826348175 948067399 /nfs/dbraw/zinc/06/73/99/948067399.db2.gz YHEBNKLUADGORH-UHFFFAOYSA-N -1 1 390.787 1.447 20 0 GDADMM Cc1onc(CC(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)c1-c1nnn[n-]1 ZINC000826348372 948072198 /nfs/dbraw/zinc/07/21/98/948072198.db2.gz JCDRNNGVRFALOV-UHFFFAOYSA-N -1 1 396.411 1.043 20 0 GDADMM Cc1onc(CC(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)c1-c1nn[n-]n1 ZINC000826348372 948072209 /nfs/dbraw/zinc/07/22/09/948072209.db2.gz JCDRNNGVRFALOV-UHFFFAOYSA-N -1 1 396.411 1.043 20 0 GDADMM C[C@@H](C(=O)NC1CC2(C1)CC(Nc1nccnc1-c1nnn[n-]1)C2)C1CCC1 ZINC001573665971 948078717 /nfs/dbraw/zinc/07/87/17/948078717.db2.gz NWNUULVWAAOHOM-KDBGQGEDSA-N -1 1 382.472 1.932 20 0 GDADMM C[C@@H](C(=O)NC1CC2(C1)CC(Nc1nccnc1-c1nn[n-]n1)C2)C1CCC1 ZINC001573665971 948078724 /nfs/dbraw/zinc/07/87/24/948078724.db2.gz NWNUULVWAAOHOM-KDBGQGEDSA-N -1 1 382.472 1.932 20 0 GDADMM CC(=O)N(Cc1ccccc1)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573414614 948094868 /nfs/dbraw/zinc/09/48/68/948094868.db2.gz LAUYCVKEDVWXNU-INIZCTEOSA-N -1 1 378.440 1.674 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1F ZINC001573670386 948102460 /nfs/dbraw/zinc/10/24/60/948102460.db2.gz BIWJMSHHJVOSDN-NWDGAFQWSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@H](C(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1)c1cccs1 ZINC001573670321 948102565 /nfs/dbraw/zinc/10/25/65/948102565.db2.gz AQQMGKGJPUHPQV-NSHDSACASA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1)c1cccs1 ZINC001573670321 948102571 /nfs/dbraw/zinc/10/25/71/948102571.db2.gz AQQMGKGJPUHPQV-NSHDSACASA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](CNC(=O)[C@H](C)c1ccccc1F)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001573677821 948141914 /nfs/dbraw/zinc/14/19/14/948141914.db2.gz FLIUEASLFBPGBG-VXGBXAGGSA-N -1 1 384.419 1.540 20 0 GDADMM C[C@H](CNC(=O)[C@H](C)c1ccccc1F)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001573677821 948141925 /nfs/dbraw/zinc/14/19/25/948141925.db2.gz FLIUEASLFBPGBG-VXGBXAGGSA-N -1 1 384.419 1.540 20 0 GDADMM C[C@H](CNC(=O)[C@@H](C)c1ccccc1F)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001573679175 948158665 /nfs/dbraw/zinc/15/86/65/948158665.db2.gz JPPBPFILTMCKDS-NEPJUHHUSA-N -1 1 384.419 1.540 20 0 GDADMM C[C@H](CNC(=O)[C@@H](C)c1ccccc1F)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001573679175 948158670 /nfs/dbraw/zinc/15/86/70/948158670.db2.gz JPPBPFILTMCKDS-NEPJUHHUSA-N -1 1 384.419 1.540 20 0 GDADMM C[C@@H](C(=O)NC[C@H](C)N(C)c1nccnc1-c1nnn[n-]1)c1ccccc1F ZINC001573679633 948164062 /nfs/dbraw/zinc/16/40/62/948164062.db2.gz MFZUKBIFNFCYES-NWDGAFQWSA-N -1 1 384.419 1.540 20 0 GDADMM C[C@@H](C(=O)NC[C@H](C)N(C)c1nccnc1-c1nn[n-]n1)c1ccccc1F ZINC001573679633 948164067 /nfs/dbraw/zinc/16/40/67/948164067.db2.gz MFZUKBIFNFCYES-NWDGAFQWSA-N -1 1 384.419 1.540 20 0 GDADMM CC(=O)N1CCC([C@H]2C[C@@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)CCO2)CC1 ZINC001573432137 948185837 /nfs/dbraw/zinc/18/58/37/948185837.db2.gz FDNYRPGQOHBQCG-GOEBONIOSA-N -1 1 386.460 1.183 20 0 GDADMM CC(=O)N1CCC([C@H]2C[C@@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)CCO2)CC1 ZINC001573432137 948185843 /nfs/dbraw/zinc/18/58/43/948185843.db2.gz FDNYRPGQOHBQCG-GOEBONIOSA-N -1 1 386.460 1.183 20 0 GDADMM CC(=O)N1CCC([C@@H]2C[C@@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)CCO2)CC1 ZINC001573432138 948186245 /nfs/dbraw/zinc/18/62/45/948186245.db2.gz FDNYRPGQOHBQCG-HOCLYGCPSA-N -1 1 386.460 1.183 20 0 GDADMM CC(=O)N1CCC([C@@H]2C[C@@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)CCO2)CC1 ZINC001573432138 948186254 /nfs/dbraw/zinc/18/62/54/948186254.db2.gz FDNYRPGQOHBQCG-HOCLYGCPSA-N -1 1 386.460 1.183 20 0 GDADMM CC(C)[C@H](CNC(=O)[C@H](C)c1cccnc1)Nc1nccnc1-c1nnn[n-]1 ZINC001573680820 948187634 /nfs/dbraw/zinc/18/76/34/948187634.db2.gz QHFIMHONHFRKDT-OCCSQVGLSA-N -1 1 381.444 1.408 20 0 GDADMM CC(C)[C@H](CNC(=O)[C@H](C)c1cccnc1)Nc1nccnc1-c1nn[n-]n1 ZINC001573680820 948187643 /nfs/dbraw/zinc/18/76/43/948187643.db2.gz QHFIMHONHFRKDT-OCCSQVGLSA-N -1 1 381.444 1.408 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCCC1)[C@@H]1CCCO1 ZINC001573690748 948228228 /nfs/dbraw/zinc/22/82/28/948228228.db2.gz ARJLJAXOKCVXBN-OCCSQVGLSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCCC1)[C@@H]1CCCO1 ZINC001573690748 948228235 /nfs/dbraw/zinc/22/82/35/948228235.db2.gz ARJLJAXOKCVXBN-OCCSQVGLSA-N -1 1 386.460 1.313 20 0 GDADMM CC(=O)N1CCC2(CC1)CN(c1nc(-c3nn[n-]n3)c(Cl)s1)CCO2 ZINC001573439931 948256651 /nfs/dbraw/zinc/25/66/51/948256651.db2.gz WPUZPMQQMZNLKG-UHFFFAOYSA-N -1 1 383.865 1.194 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCOCC1)C(C)(C)C ZINC001573692336 948261127 /nfs/dbraw/zinc/26/11/27/948261127.db2.gz OJRVAORRDAIUOQ-GFCCVEGCSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCOCC1)C(C)(C)C ZINC001573692336 948261134 /nfs/dbraw/zinc/26/11/34/948261134.db2.gz OJRVAORRDAIUOQ-GFCCVEGCSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCC(C)(C)CN1c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001573703987 948361252 /nfs/dbraw/zinc/36/12/52/948361252.db2.gz NSHJICHUYIJZOU-TZMCWYRMSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCC(C)(C)CN1c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001573703987 948361260 /nfs/dbraw/zinc/36/12/60/948361260.db2.gz NSHJICHUYIJZOU-TZMCWYRMSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)c1ccsc1 ZINC001573704130 948365975 /nfs/dbraw/zinc/36/59/75/948365975.db2.gz PKCKHAUKXOKWOP-AAEUAGOBSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)c1ccsc1 ZINC001573704130 948365982 /nfs/dbraw/zinc/36/59/82/948365982.db2.gz PKCKHAUKXOKWOP-AAEUAGOBSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001573704925 948387986 /nfs/dbraw/zinc/38/79/86/948387986.db2.gz UVTZBHJPCVHDDU-KBPBESRZSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001573704925 948387994 /nfs/dbraw/zinc/38/79/94/948387994.db2.gz UVTZBHJPCVHDDU-KBPBESRZSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](C(=O)NCC1CCN(c2nccnc2-c2nnn[n-]2)CC1)C(F)(F)F ZINC001573705702 948407805 /nfs/dbraw/zinc/40/78/05/948407805.db2.gz IXKUMPYDGBNPSI-VIFPVBQESA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@H](C(=O)NCC1CCN(c2nccnc2-c2nn[n-]n2)CC1)C(F)(F)F ZINC001573705702 948407809 /nfs/dbraw/zinc/40/78/09/948407809.db2.gz IXKUMPYDGBNPSI-VIFPVBQESA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@H](C(=O)NCC1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573706128 948413204 /nfs/dbraw/zinc/41/32/04/948413204.db2.gz YTIMBGZKIIQAHQ-VOMCLLRMSA-N -1 1 384.469 1.251 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCC1(F)F)C1CC1 ZINC001573706684 948422904 /nfs/dbraw/zinc/42/29/04/948422904.db2.gz KTLIXLPAWNASLS-PWSUYJOCSA-N -1 1 392.414 1.281 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCC1(F)F)C1CC1 ZINC001573706684 948422911 /nfs/dbraw/zinc/42/29/11/948422911.db2.gz KTLIXLPAWNASLS-PWSUYJOCSA-N -1 1 392.414 1.281 20 0 GDADMM C[C@H](C(=O)NCCC1(CNc2cncc(-c3nnn[n-]3)n2)CC1)c1ccco1 ZINC001573707565 948436151 /nfs/dbraw/zinc/43/61/51/948436151.db2.gz OLPHFCOXDSKMCG-LBPRGKRZSA-N -1 1 382.428 1.752 20 0 GDADMM C[C@H](C(=O)NCCC1(CNc2cncc(-c3nn[n-]n3)n2)CC1)c1ccco1 ZINC001573707565 948436154 /nfs/dbraw/zinc/43/61/54/948436154.db2.gz OLPHFCOXDSKMCG-LBPRGKRZSA-N -1 1 382.428 1.752 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCCO1)C(C)(C)C ZINC001573707987 948441484 /nfs/dbraw/zinc/44/14/84/948441484.db2.gz QORVYMADYLJSJT-OLZOCXBDSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccsc1 ZINC001573708172 948445081 /nfs/dbraw/zinc/44/50/81/948445081.db2.gz SDLHTQMSRIWKRG-NEPJUHHUSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccsc1 ZINC001573708172 948445085 /nfs/dbraw/zinc/44/50/85/948445085.db2.gz SDLHTQMSRIWKRG-NEPJUHHUSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1)C1CCC1 ZINC001573708689 948454947 /nfs/dbraw/zinc/45/49/47/948454947.db2.gz XEUZAFJTDLZKQO-OCCSQVGLSA-N -1 1 390.513 1.681 20 0 GDADMM C[C@@H](C(=O)NCCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C1CCC1 ZINC001573714716 948476488 /nfs/dbraw/zinc/47/64/88/948476488.db2.gz JDXOISKEGNAFHL-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NCC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C(C)(F)F ZINC001573715342 948488505 /nfs/dbraw/zinc/48/85/05/948488505.db2.gz UOSCAUNKVASATG-QWRGUYRKSA-N -1 1 380.403 1.281 20 0 GDADMM C[C@@H](C(=O)NCC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C(C)(F)F ZINC001573715342 948488510 /nfs/dbraw/zinc/48/85/10/948488510.db2.gz UOSCAUNKVASATG-QWRGUYRKSA-N -1 1 380.403 1.281 20 0 GDADMM C[C@@H](C(=O)NCC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C)C(C)(C)C ZINC001573716562 948501335 /nfs/dbraw/zinc/50/13/35/948501335.db2.gz HWPYPEQJJJPFPA-HZSPNIEDSA-N -1 1 386.504 1.918 20 0 GDADMM C[C@@H](C(=O)NCC[C@H](C)Nc1nccnc1-c1nnn[n-]1)c1ccccc1F ZINC001573720007 948531175 /nfs/dbraw/zinc/53/11/75/948531175.db2.gz ZTFRMHWLRCNVHL-NWDGAFQWSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@@H](C(=O)NCC[C@H](C)Nc1nccnc1-c1nn[n-]n1)c1ccccc1F ZINC001573720007 948531178 /nfs/dbraw/zinc/53/11/78/948531178.db2.gz ZTFRMHWLRCNVHL-NWDGAFQWSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001573725548 948544587 /nfs/dbraw/zinc/54/45/87/948544587.db2.gz APXHACROZDNGPZ-LPEHRKFASA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001573725548 948544592 /nfs/dbraw/zinc/54/45/92/948544592.db2.gz APXHACROZDNGPZ-LPEHRKFASA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1ccco1 ZINC001573727175 948552448 /nfs/dbraw/zinc/55/24/48/948552448.db2.gz LAXPKOMIKPAESF-JHJVBQTASA-N -1 1 382.428 1.242 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1ccco1 ZINC001573727175 948552454 /nfs/dbraw/zinc/55/24/54/948552454.db2.gz LAXPKOMIKPAESF-JHJVBQTASA-N -1 1 382.428 1.242 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nnn[n-]1)c1ccco1 ZINC001573736253 948614086 /nfs/dbraw/zinc/61/40/86/948614086.db2.gz KYALFHWDBCCQRZ-JHJVBQTASA-N -1 1 382.428 1.893 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nn[n-]n1)c1ccco1 ZINC001573736253 948614091 /nfs/dbraw/zinc/61/40/91/948614091.db2.gz KYALFHWDBCCQRZ-JHJVBQTASA-N -1 1 382.428 1.893 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CC1)C(C)(F)F ZINC001573745657 948674527 /nfs/dbraw/zinc/67/45/27/948674527.db2.gz GHPALBOBYLYKLR-GMTAPVOTSA-N -1 1 380.403 1.209 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)[C@H](C)C(C)(C)C ZINC001573746542 948683588 /nfs/dbraw/zinc/68/35/88/948683588.db2.gz KTOMPIAJQGUHAK-XUXIUFHCSA-N -1 1 386.504 1.704 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1F ZINC001573749513 948701366 /nfs/dbraw/zinc/70/13/66/948701366.db2.gz ZYGQYATXMBCRNX-SDDRHHMPSA-N -1 1 382.403 1.081 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccccc1F ZINC001573751514 948701514 /nfs/dbraw/zinc/70/15/14/948701514.db2.gz AHQAHNJZUGRGIQ-SRVKXCTJSA-N -1 1 382.403 1.659 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccccc1F ZINC001573751514 948701519 /nfs/dbraw/zinc/70/15/19/948701519.db2.gz AHQAHNJZUGRGIQ-SRVKXCTJSA-N -1 1 382.403 1.659 20 0 GDADMM C[C@@H](CNC(=O)CCc1ccc(F)cc1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574914330 948748405 /nfs/dbraw/zinc/74/84/05/948748405.db2.gz INSKHTGKQGJYQQ-GFCCVEGCSA-N -1 1 384.419 1.593 20 0 GDADMM C[C@@H](CNC(=O)CCc1ccc(F)cc1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574914330 948748412 /nfs/dbraw/zinc/74/84/12/948748412.db2.gz INSKHTGKQGJYQQ-GFCCVEGCSA-N -1 1 384.419 1.593 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001575221807 948751667 /nfs/dbraw/zinc/75/16/67/948751667.db2.gz CZXWDOKXUBUBRU-JTQLQIEISA-N -1 1 378.387 1.177 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001575221807 948751678 /nfs/dbraw/zinc/75/16/78/948751678.db2.gz CZXWDOKXUBUBRU-JTQLQIEISA-N -1 1 378.387 1.177 20 0 GDADMM CC(F)(F)C1(C(=O)NCC2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)CC1 ZINC001575221829 948752333 /nfs/dbraw/zinc/75/23/33/948752333.db2.gz DQMRRUNBSARWHF-UHFFFAOYSA-N -1 1 392.414 1.425 20 0 GDADMM C[C@H](C(=O)Nc1cccc(O)c1Br)n1cnc(-c2nn[n-]n2)n1 ZINC001573755168 948757487 /nfs/dbraw/zinc/75/74/87/948757487.db2.gz BORDRPOAHZDBIF-ZCFIWIBFSA-N -1 1 379.178 1.126 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001575222777 948758826 /nfs/dbraw/zinc/75/88/26/948758826.db2.gz JNSVCAFCJCSDCX-WDEREUQCSA-N -1 1 392.414 1.789 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001575222777 948758831 /nfs/dbraw/zinc/75/88/31/948758831.db2.gz JNSVCAFCJCSDCX-WDEREUQCSA-N -1 1 392.414 1.789 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001574416725 948760110 /nfs/dbraw/zinc/76/01/10/948760110.db2.gz FJRVLUVVHFACED-OAHLLOKOSA-N -1 1 378.440 1.789 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001574416725 948760116 /nfs/dbraw/zinc/76/01/16/948760116.db2.gz FJRVLUVVHFACED-OAHLLOKOSA-N -1 1 378.440 1.789 20 0 GDADMM CC(F)(F)C1(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CC1 ZINC001575223265 948760191 /nfs/dbraw/zinc/76/01/91/948760191.db2.gz MFORULSWEWEUMN-UHFFFAOYSA-N -1 1 378.387 1.177 20 0 GDADMM CC(F)(F)C1(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CC1 ZINC001575223265 948760201 /nfs/dbraw/zinc/76/02/01/948760201.db2.gz MFORULSWEWEUMN-UHFFFAOYSA-N -1 1 378.387 1.177 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@]1(C)CCc2ccccc21 ZINC001574678849 948760164 /nfs/dbraw/zinc/76/01/64/948760164.db2.gz KAKCCDMEWJXMEL-ZUOKHONESA-N -1 1 392.467 1.868 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@]1(C)CCc2ccccc21 ZINC001574678849 948760175 /nfs/dbraw/zinc/76/01/75/948760175.db2.gz KAKCCDMEWJXMEL-ZUOKHONESA-N -1 1 392.467 1.868 20 0 GDADMM C[C@H](CNC(=O)CCc1cc(Cl)cs1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574915115 948760952 /nfs/dbraw/zinc/76/09/52/948760952.db2.gz QYTBWXPMNXGEII-SECBINFHSA-N -1 1 392.876 1.921 20 0 GDADMM C[C@H](CNC(=O)CCc1cc(Cl)cs1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574915115 948760967 /nfs/dbraw/zinc/76/09/67/948760967.db2.gz QYTBWXPMNXGEII-SECBINFHSA-N -1 1 392.876 1.921 20 0 GDADMM CC(C)[C@@H](F)C(=O)N[C@H]1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574079582 948769631 /nfs/dbraw/zinc/76/96/31/948769631.db2.gz KYHFZLSXCLBVMU-LALPHHSUSA-N -1 1 376.440 1.738 20 0 GDADMM CC(C)[C@@H](F)C(=O)N[C@H]1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574079582 948769639 /nfs/dbraw/zinc/76/96/39/948769639.db2.gz KYHFZLSXCLBVMU-LALPHHSUSA-N -1 1 376.440 1.738 20 0 GDADMM CC(C)[C@H](F)C(=O)N[C@@H]1[C@H]2CN(c3snc(Cl)c3-c3nnn[n-]3)C[C@H]21 ZINC001574079478 948770501 /nfs/dbraw/zinc/77/05/01/948770501.db2.gz JOYLLFRWPPRXJE-WPYKOPORSA-N -1 1 385.856 1.522 20 0 GDADMM CC(C)[C@H](F)C(=O)N[C@@H]1[C@H]2CN(c3snc(Cl)c3-c3nn[n-]n3)C[C@H]21 ZINC001574079478 948770515 /nfs/dbraw/zinc/77/05/15/948770515.db2.gz JOYLLFRWPPRXJE-WPYKOPORSA-N -1 1 385.856 1.522 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001575223922 948774847 /nfs/dbraw/zinc/77/48/47/948774847.db2.gz PLPXTRAMIOVRGS-SNVBAGLBSA-N -1 1 378.387 1.495 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575223922 948774854 /nfs/dbraw/zinc/77/48/54/948774854.db2.gz PLPXTRAMIOVRGS-SNVBAGLBSA-N -1 1 378.387 1.495 20 0 GDADMM CC(F)(F)C1(C(=O)NCCN(c2nccnc2-c2nnn[n-]2)C2CC2)CC1 ZINC001575223971 948775540 /nfs/dbraw/zinc/77/55/40/948775540.db2.gz RBYIBAUKILVMSW-UHFFFAOYSA-N -1 1 378.387 1.177 20 0 GDADMM CC(F)(F)C1(C(=O)NCCN(c2nccnc2-c2nn[n-]n2)C2CC2)CC1 ZINC001575223971 948775554 /nfs/dbraw/zinc/77/55/54/948775554.db2.gz RBYIBAUKILVMSW-UHFFFAOYSA-N -1 1 378.387 1.177 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@H](C)[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001574418553 948779917 /nfs/dbraw/zinc/77/99/17/948779917.db2.gz YGDSJKWRRRCYQM-NWDGAFQWSA-N -1 1 381.444 1.794 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@H](C)[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001574418553 948779933 /nfs/dbraw/zinc/77/99/33/948779933.db2.gz YGDSJKWRRRCYQM-NWDGAFQWSA-N -1 1 381.444 1.794 20 0 GDADMM C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC001573755852 948788036 /nfs/dbraw/zinc/78/80/36/948788036.db2.gz UAMRKBUBKUSFCR-WZRBSPASSA-N -1 1 388.497 1.855 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001574679951 948796014 /nfs/dbraw/zinc/79/60/14/948796014.db2.gz CJSKGRBSUCZUEH-KWCYVHTRSA-N -1 1 386.460 1.026 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001574679951 948796024 /nfs/dbraw/zinc/79/60/24/948796024.db2.gz CJSKGRBSUCZUEH-KWCYVHTRSA-N -1 1 386.460 1.026 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2C[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001575225467 948806933 /nfs/dbraw/zinc/80/69/33/948806933.db2.gz CNSZKQSQBXSJKC-MGCOHNPYSA-N -1 1 378.387 1.399 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2C[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001575225467 948806952 /nfs/dbraw/zinc/80/69/52/948806952.db2.gz CNSZKQSQBXSJKC-MGCOHNPYSA-N -1 1 378.387 1.399 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccc(C(F)F)o1 ZINC001574680523 948809214 /nfs/dbraw/zinc/80/92/14/948809214.db2.gz HZTNCDSFKOPJGH-MRVPVSSYSA-N -1 1 378.343 1.808 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccc(C(F)F)o1 ZINC001574680523 948809228 /nfs/dbraw/zinc/80/92/28/948809228.db2.gz HZTNCDSFKOPJGH-MRVPVSSYSA-N -1 1 378.343 1.808 20 0 GDADMM CC(C)c1ccoc1C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001574420871 948812021 /nfs/dbraw/zinc/81/20/21/948812021.db2.gz COBXORDZPMILKA-JYAVWHMHSA-N -1 1 380.412 1.238 20 0 GDADMM CC(C)c1ccoc1C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001574420871 948812040 /nfs/dbraw/zinc/81/20/40/948812040.db2.gz COBXORDZPMILKA-JYAVWHMHSA-N -1 1 380.412 1.238 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001574681860 948821368 /nfs/dbraw/zinc/82/13/68/948821368.db2.gz OJYMOZDGPQKUAU-AEGPPILISA-N -1 1 378.440 1.767 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001574681860 948821393 /nfs/dbraw/zinc/82/13/93/948821393.db2.gz OJYMOZDGPQKUAU-AEGPPILISA-N -1 1 378.440 1.767 20 0 GDADMM C[C@@H](CNC(=O)CCCc1ccsc1)CNc1nccnc1-c1nnn[n-]1 ZINC001574917753 948823580 /nfs/dbraw/zinc/82/35/80/948823580.db2.gz AOZYXGDFGVWTCQ-LBPRGKRZSA-N -1 1 386.485 1.905 20 0 GDADMM C[C@@H](CNC(=O)CCCc1ccsc1)CNc1nccnc1-c1nn[n-]n1 ZINC001574917753 948823595 /nfs/dbraw/zinc/82/35/95/948823595.db2.gz AOZYXGDFGVWTCQ-LBPRGKRZSA-N -1 1 386.485 1.905 20 0 GDADMM CC(C)c1ccoc1C(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001574421989 948827941 /nfs/dbraw/zinc/82/79/41/948827941.db2.gz TZIHXXSTJYAMDV-LBPRGKRZSA-N -1 1 382.428 1.772 20 0 GDADMM C[C@@H](CNC(=O)CCCc1cccs1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574918024 948830901 /nfs/dbraw/zinc/83/09/01/948830901.db2.gz FXQVXSAZCXQGNZ-GFCCVEGCSA-N -1 1 386.485 1.327 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)CN(C)c1ccccc1 ZINC001574682883 948835373 /nfs/dbraw/zinc/83/53/73/948835373.db2.gz SGUPSLUYRBFTGP-ZDUSSCGKSA-N -1 1 381.444 1.100 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)CN(C)c1ccccc1 ZINC001574682883 948835378 /nfs/dbraw/zinc/83/53/78/948835378.db2.gz SGUPSLUYRBFTGP-ZDUSSCGKSA-N -1 1 381.444 1.100 20 0 GDADMM C[C@H](CNC(=O)CCCc1ccccc1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574918182 948837436 /nfs/dbraw/zinc/83/74/36/948837436.db2.gz GYFKMSWAMZKVIV-AWEZNQCLSA-N -1 1 380.456 1.844 20 0 GDADMM C[C@H](CNC(=O)CCCc1ccccc1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574918182 948837456 /nfs/dbraw/zinc/83/74/56/948837456.db2.gz GYFKMSWAMZKVIV-AWEZNQCLSA-N -1 1 380.456 1.844 20 0 GDADMM CC(C)[C@H](F)C(=O)NC[C@H]1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574081920 948841750 /nfs/dbraw/zinc/84/17/50/948841750.db2.gz XZDKLDFGCZLELL-XEZPLFJOSA-N -1 1 390.467 1.985 20 0 GDADMM CC(C)[C@H](F)C(=O)NC[C@H]1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574081920 948841778 /nfs/dbraw/zinc/84/17/78/948841778.db2.gz XZDKLDFGCZLELL-XEZPLFJOSA-N -1 1 390.467 1.985 20 0 GDADMM CC(C)[C@@H](F)C(=O)NC[C@H]1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574081921 948842678 /nfs/dbraw/zinc/84/26/78/948842678.db2.gz XZDKLDFGCZLELL-XJKCOSOUSA-N -1 1 390.467 1.985 20 0 GDADMM CC(C)[C@@H](F)C(=O)NC[C@H]1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574081921 948842693 /nfs/dbraw/zinc/84/26/93/948842693.db2.gz XZDKLDFGCZLELL-XJKCOSOUSA-N -1 1 390.467 1.985 20 0 GDADMM CC(C)c1ccsc1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574424184 948846560 /nfs/dbraw/zinc/84/65/60/948846560.db2.gz HMRXRLGBKJPADG-NSHDSACASA-N -1 1 384.469 1.850 20 0 GDADMM CC(C)(C(=O)N1CCC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C(F)F ZINC001573763109 948862177 /nfs/dbraw/zinc/86/21/77/948862177.db2.gz AYOVBXCGNFPLRD-JTQLQIEISA-N -1 1 380.403 1.020 20 0 GDADMM CC(C)c1nc(C(=O)N[C@H](C)[C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)cs1 ZINC001574424927 948863660 /nfs/dbraw/zinc/86/36/60/948863660.db2.gz XGJMGMNJXNWGML-NXEZZACHSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1nc(C(=O)N[C@H](C)[C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)cs1 ZINC001574424927 948863675 /nfs/dbraw/zinc/86/36/75/948863675.db2.gz XGJMGMNJXNWGML-NXEZZACHSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)[C@]1(C)C[C@@H]1C(=O)N(C)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574083202 948876182 /nfs/dbraw/zinc/87/61/82/948876182.db2.gz PZUNJFVBWJVSTK-KUHUBIRLSA-N -1 1 384.488 1.766 20 0 GDADMM CC(C)[C@]1(C)C[C@@H]1C(=O)N(C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574083202 948876202 /nfs/dbraw/zinc/87/62/02/948876202.db2.gz PZUNJFVBWJVSTK-KUHUBIRLSA-N -1 1 384.488 1.766 20 0 GDADMM CC(C)(C(=O)N1CCC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C(F)F ZINC001573763947 948879396 /nfs/dbraw/zinc/87/93/96/948879396.db2.gz JDGNCLUWCDGPAQ-SNVBAGLBSA-N -1 1 380.403 1.599 20 0 GDADMM CC(C)(C(=O)N1CCC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C(F)F ZINC001573763947 948879417 /nfs/dbraw/zinc/87/94/17/948879417.db2.gz JDGNCLUWCDGPAQ-SNVBAGLBSA-N -1 1 380.403 1.599 20 0 GDADMM CC(F)(F)CC(=O)N[C@H]1CCCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001575233474 948882446 /nfs/dbraw/zinc/88/24/46/948882446.db2.gz JELZVDJREILDFS-MNOVXSKESA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CC(=O)N[C@H]1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001575233474 948882460 /nfs/dbraw/zinc/88/24/60/948882460.db2.gz JELZVDJREILDFS-MNOVXSKESA-N -1 1 380.403 1.789 20 0 GDADMM CC(C)c1nc(C(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)cs1 ZINC001574426899 948895499 /nfs/dbraw/zinc/89/54/99/948895499.db2.gz VYMBZAJCNMSIRA-AOOOYVTPSA-N -1 1 385.457 1.610 20 0 GDADMM CC(C)c1nc(C(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)cs1 ZINC001574426899 948895511 /nfs/dbraw/zinc/89/55/11/948895511.db2.gz VYMBZAJCNMSIRA-AOOOYVTPSA-N -1 1 385.457 1.610 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)c1cnsn1 ZINC001574684922 948897570 /nfs/dbraw/zinc/89/75/70/948897570.db2.gz PEMMRHKERAYADA-RXMQYKEDSA-N -1 1 385.866 1.449 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)c1cnsn1 ZINC001574684922 948897590 /nfs/dbraw/zinc/89/75/90/948897590.db2.gz PEMMRHKERAYADA-RXMQYKEDSA-N -1 1 385.866 1.449 20 0 GDADMM CC(F)(F)CCC(=O)N[C@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001575234327 948900327 /nfs/dbraw/zinc/90/03/27/948900327.db2.gz BAQVGYLGHZIGLO-PXAZEXFGSA-N -1 1 392.414 1.710 20 0 GDADMM CC(F)(F)CCC(=O)N[C@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001575234327 948900341 /nfs/dbraw/zinc/90/03/41/948900341.db2.gz BAQVGYLGHZIGLO-PXAZEXFGSA-N -1 1 392.414 1.710 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)C1=COCCC1 ZINC001574685023 948900513 /nfs/dbraw/zinc/90/05/13/948900513.db2.gz REDQXHPPXWATON-QMMMGPOBSA-N -1 1 383.865 1.978 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)C1=COCCC1 ZINC001574685023 948900522 /nfs/dbraw/zinc/90/05/22/948900522.db2.gz REDQXHPPXWATON-QMMMGPOBSA-N -1 1 383.865 1.978 20 0 GDADMM CC(C)c1ncc(C(=O)NCC2(Nc3cnc(-c4nnn[n-]4)cn3)CC2)s1 ZINC001574427751 948911757 /nfs/dbraw/zinc/91/17/57/948911757.db2.gz NEKMALSVNVRSGZ-UHFFFAOYSA-N -1 1 385.457 1.611 20 0 GDADMM CC(C)c1ncc(C(=O)NCC2(Nc3cnc(-c4nn[n-]n4)cn3)CC2)s1 ZINC001574427751 948911771 /nfs/dbraw/zinc/91/17/71/948911771.db2.gz NEKMALSVNVRSGZ-UHFFFAOYSA-N -1 1 385.457 1.611 20 0 GDADMM CC(C)(C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1)C1CCCCC1 ZINC001573765537 948912677 /nfs/dbraw/zinc/91/26/77/948912677.db2.gz MIQXESLOFXRQHC-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)(C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1)C1CCCCC1 ZINC001573765537 948912688 /nfs/dbraw/zinc/91/26/88/948912688.db2.gz MIQXESLOFXRQHC-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@@H]2[C@@H](CCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575235223 948916025 /nfs/dbraw/zinc/91/60/25/948916025.db2.gz LTAXLGQCVWBOPS-WCQYABFASA-N -1 1 392.414 1.519 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@@H]2[C@@H](CCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575235223 948916036 /nfs/dbraw/zinc/91/60/36/948916036.db2.gz LTAXLGQCVWBOPS-WCQYABFASA-N -1 1 392.414 1.519 20 0 GDADMM CC(F)(F)CC(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC001575235470 948919059 /nfs/dbraw/zinc/91/90/59/948919059.db2.gz VSBLUQFDNLWZHS-CYBMUJFWSA-N -1 1 388.382 1.971 20 0 GDADMM CC(F)(F)CC(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC001575235470 948919073 /nfs/dbraw/zinc/91/90/73/948919073.db2.gz VSBLUQFDNLWZHS-CYBMUJFWSA-N -1 1 388.382 1.971 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@](C)(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575236055 948932197 /nfs/dbraw/zinc/93/21/97/948932197.db2.gz UDEJVYXGVVRHTF-OAHLLOKOSA-N -1 1 380.403 1.743 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575236055 948932203 /nfs/dbraw/zinc/93/22/03/948932203.db2.gz UDEJVYXGVVRHTF-OAHLLOKOSA-N -1 1 380.403 1.743 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001573771315 948939874 /nfs/dbraw/zinc/93/98/74/948939874.db2.gz FXOTZXJCCLNCLB-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001573771315 948939895 /nfs/dbraw/zinc/93/98/95/948939895.db2.gz FXOTZXJCCLNCLB-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C(F)F ZINC001573771669 948943417 /nfs/dbraw/zinc/94/34/17/948943417.db2.gz KKUYQJFATGAQCA-VHSXEESVSA-N -1 1 380.403 1.787 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C(F)F ZINC001573771669 948943433 /nfs/dbraw/zinc/94/34/33/948943433.db2.gz KKUYQJFATGAQCA-VHSXEESVSA-N -1 1 380.403 1.787 20 0 GDADMM CC(F)(F)CCC(=O)NCC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575237931 948952422 /nfs/dbraw/zinc/95/24/22/948952422.db2.gz JJZSIWRKZQEOEP-LLVKDONJSA-N -1 1 380.403 1.425 20 0 GDADMM CC(F)(F)CCC(=O)NCC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575237931 948952435 /nfs/dbraw/zinc/95/24/35/948952435.db2.gz JJZSIWRKZQEOEP-LLVKDONJSA-N -1 1 380.403 1.425 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575239051 948958192 /nfs/dbraw/zinc/95/81/92/948958192.db2.gz PRLVNWWXNOEUIW-QWRGUYRKSA-N -1 1 380.403 1.353 20 0 GDADMM CC(C)(C(=O)N[C@@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2)C1CC1 ZINC001573772535 948962052 /nfs/dbraw/zinc/96/20/52/948962052.db2.gz ULHGOFCEJCPDHX-CHWSQXEVSA-N -1 1 382.472 1.354 20 0 GDADMM CC(F)(F)CCC(=O)NC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575239852 948963383 /nfs/dbraw/zinc/96/33/83/948963383.db2.gz WLTQNSSAMCRYOK-LLVKDONJSA-N -1 1 380.403 1.425 20 0 GDADMM CC(F)(F)CCC(=O)NC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575239852 948963395 /nfs/dbraw/zinc/96/33/95/948963395.db2.gz WLTQNSSAMCRYOK-LLVKDONJSA-N -1 1 380.403 1.425 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@H](C)c1ccncc1 ZINC001574689348 948984700 /nfs/dbraw/zinc/98/47/00/948984700.db2.gz GKCKUKWSWIQUHN-STQMWFEESA-N -1 1 381.444 1.552 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@H](C)c1ccncc1 ZINC001574689348 948984719 /nfs/dbraw/zinc/98/47/19/948984719.db2.gz GKCKUKWSWIQUHN-STQMWFEESA-N -1 1 381.444 1.552 20 0 GDADMM CC(C)c1nnc(N2CCOCC3(CC3)C2)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001574435725 948997879 /nfs/dbraw/zinc/99/78/79/948997879.db2.gz ZBZZAFYJARIICY-UHFFFAOYSA-N -1 1 384.444 1.840 20 0 GDADMM CC(C)c1nnc(N2CCOCC3(CC3)C2)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001574435725 948997895 /nfs/dbraw/zinc/99/78/95/948997895.db2.gz ZBZZAFYJARIICY-UHFFFAOYSA-N -1 1 384.444 1.840 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H](F)Cc1ccccc1 ZINC001574690291 948998777 /nfs/dbraw/zinc/99/87/77/948998777.db2.gz OAZGIEIWASLFQO-GXTWGEPZSA-N -1 1 384.419 1.544 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H](F)Cc1ccccc1 ZINC001574690291 948998787 /nfs/dbraw/zinc/99/87/87/948998787.db2.gz OAZGIEIWASLFQO-GXTWGEPZSA-N -1 1 384.419 1.544 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccccc1 ZINC001573774098 948998865 /nfs/dbraw/zinc/99/88/65/948998865.db2.gz QIMPVKPZMWRLNK-CQSZACIVSA-N -1 1 378.440 1.329 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccccc1 ZINC001573774098 948998881 /nfs/dbraw/zinc/99/88/81/948998881.db2.gz QIMPVKPZMWRLNK-CQSZACIVSA-N -1 1 378.440 1.329 20 0 GDADMM CC(C)c1noc(CCNS(=O)(=O)Cc2csc(-c3nn[n-]n3)c2)n1 ZINC001574439204 949002258 /nfs/dbraw/zinc/00/22/58/949002258.db2.gz CLKIBEVNDURPPA-UHFFFAOYSA-N -1 1 383.459 1.097 20 0 GDADMM C[C@@H](C(=O)N[C@@H](C)CCNc1nccnc1-c1nnn[n-]1)c1ccccc1F ZINC001574691401 949024208 /nfs/dbraw/zinc/02/42/08/949024208.db2.gz XIBRIHAWFGLZGJ-NWDGAFQWSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@@H](C(=O)N[C@@H](C)CCNc1nccnc1-c1nn[n-]n1)c1ccccc1F ZINC001574691401 949024230 /nfs/dbraw/zinc/02/42/30/949024230.db2.gz XIBRIHAWFGLZGJ-NWDGAFQWSA-N -1 1 384.419 1.906 20 0 GDADMM CC(C)(C(=O)NC[C@H](O)CNc1nccnc1-c1nnn[n-]1)C1CCCCC1 ZINC001573775482 949043208 /nfs/dbraw/zinc/04/32/08/949043208.db2.gz XLMXQDFZDOEHBI-CYBMUJFWSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)(C(=O)NC[C@H](O)CNc1nccnc1-c1nn[n-]n1)C1CCCCC1 ZINC001573775482 949043226 /nfs/dbraw/zinc/04/32/26/949043226.db2.gz XLMXQDFZDOEHBI-CYBMUJFWSA-N -1 1 388.476 1.152 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccnc(C2CC2)c1 ZINC001574693186 949051008 /nfs/dbraw/zinc/05/10/08/949051008.db2.gz BSQRBWGDPYGLSY-LLVKDONJSA-N -1 1 379.428 1.550 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccnc(C2CC2)c1 ZINC001574693186 949051027 /nfs/dbraw/zinc/05/10/27/949051027.db2.gz BSQRBWGDPYGLSY-LLVKDONJSA-N -1 1 379.428 1.550 20 0 GDADMM C[C@H](CN(C)C(=O)C(C)(C)c1cccnc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574693428 949057116 /nfs/dbraw/zinc/05/71/16/949057116.db2.gz HMYBFIKLAWHELU-GFCCVEGCSA-N -1 1 381.444 1.288 20 0 GDADMM C[C@H](CN(C)C(=O)C(C)(C)c1cccnc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574693428 949057129 /nfs/dbraw/zinc/05/71/29/949057129.db2.gz HMYBFIKLAWHELU-GFCCVEGCSA-N -1 1 381.444 1.288 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574441449 949057421 /nfs/dbraw/zinc/05/74/21/949057421.db2.gz KYODYDUVOWSLON-PHIMTYICSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574441449 949057438 /nfs/dbraw/zinc/05/74/38/949057438.db2.gz KYODYDUVOWSLON-PHIMTYICSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)(C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCC1)C(F)(F)F ZINC001573779428 949060703 /nfs/dbraw/zinc/06/07/03/949060703.db2.gz HSTRHEGFMHLODD-UHFFFAOYSA-N -1 1 384.366 1.696 20 0 GDADMM CC(C)(C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCC1)C(F)(F)F ZINC001573779428 949060718 /nfs/dbraw/zinc/06/07/18/949060718.db2.gz HSTRHEGFMHLODD-UHFFFAOYSA-N -1 1 384.366 1.696 20 0 GDADMM CC(C)c1occc1C(=O)N1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001574441795 949077286 /nfs/dbraw/zinc/07/72/86/949077286.db2.gz XHYCAEQKSKMLDZ-AAEUAGOBSA-N -1 1 382.428 1.368 20 0 GDADMM C[C@H](CNC(=O)COC(C)(C)C)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574929125 949077452 /nfs/dbraw/zinc/07/74/52/949077452.db2.gz YSUBBSXFTVVPKT-MRVPVSSYSA-N -1 1 387.897 1.733 20 0 GDADMM C[C@H](CNC(=O)COC(C)(C)C)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574929125 949077436 /nfs/dbraw/zinc/07/74/36/949077436.db2.gz YSUBBSXFTVVPKT-MRVPVSSYSA-N -1 1 387.897 1.733 20 0 GDADMM CC(C)c1nocc1C(=O)N1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001574442024 949090382 /nfs/dbraw/zinc/09/03/82/949090382.db2.gz JWLKONFWICBKHN-NSHDSACASA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1nocc1C(=O)N1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001574442024 949090403 /nfs/dbraw/zinc/09/04/03/949090403.db2.gz JWLKONFWICBKHN-NSHDSACASA-N -1 1 383.416 1.485 20 0 GDADMM C[C@H](CN(C)C(=O)C(C)(C)C1CCOCC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574694836 949094977 /nfs/dbraw/zinc/09/49/77/949094977.db2.gz WVUUVPUISQBYKN-GFCCVEGCSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@H](CN(C)C(=O)C(C)(C)C1CCOCC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574694836 949094998 /nfs/dbraw/zinc/09/49/98/949094998.db2.gz WVUUVPUISQBYKN-GFCCVEGCSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)c1cccn1C ZINC001574695098 949099818 /nfs/dbraw/zinc/09/98/18/949099818.db2.gz ZIARQTQIABCHCM-MRVPVSSYSA-N -1 1 380.865 1.936 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)c1cccn1C ZINC001574695098 949099829 /nfs/dbraw/zinc/09/98/29/949099829.db2.gz ZIARQTQIABCHCM-MRVPVSSYSA-N -1 1 380.865 1.936 20 0 GDADMM CC(C)c1nocc1C(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001574443148 949103491 /nfs/dbraw/zinc/10/34/91/949103491.db2.gz VIWXPIFPAJNBLB-UHFFFAOYSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1nocc1C(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001574443148 949103505 /nfs/dbraw/zinc/10/35/05/949103505.db2.gz VIWXPIFPAJNBLB-UHFFFAOYSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1ncncc1C(=O)N[C@H](C)CCNc1nccnc1-c1nnn[n-]1 ZINC001574695356 949107668 /nfs/dbraw/zinc/10/76/68/949107668.db2.gz GGWJPQYVWQSUPH-LLVKDONJSA-N -1 1 382.432 1.191 20 0 GDADMM CC(C)c1ncncc1C(=O)N[C@H](C)CCNc1nccnc1-c1nn[n-]n1 ZINC001574695356 949107678 /nfs/dbraw/zinc/10/76/78/949107678.db2.gz GGWJPQYVWQSUPH-LLVKDONJSA-N -1 1 382.432 1.191 20 0 GDADMM CC(C)c1occc1C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574445773 949116839 /nfs/dbraw/zinc/11/68/39/949116839.db2.gz CLTXCBUSZXXOGX-LBPRGKRZSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1occc1C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574445773 949116854 /nfs/dbraw/zinc/11/68/54/949116854.db2.gz CLTXCBUSZXXOGX-LBPRGKRZSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)(C(=O)NC[C@]12CCC[C@H]1N(c1nccnc1-c1nnn[n-]1)CC2)C1CC1 ZINC001573782596 949123911 /nfs/dbraw/zinc/12/39/11/949123911.db2.gz FFRNYQLZVNUBLB-JLTOFOAXSA-N -1 1 396.499 1.958 20 0 GDADMM CC(C)(C(=O)NC[C@]12CCC[C@H]1N(c1nccnc1-c1nn[n-]n1)CC2)C1CC1 ZINC001573782596 949123928 /nfs/dbraw/zinc/12/39/28/949123928.db2.gz FFRNYQLZVNUBLB-JLTOFOAXSA-N -1 1 396.499 1.958 20 0 GDADMM CC(C)c1occc1C(=O)NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574446585 949134691 /nfs/dbraw/zinc/13/46/91/949134691.db2.gz RZBUKUMLTSATCC-UHFFFAOYSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1occc1C(=O)NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574446585 949134708 /nfs/dbraw/zinc/13/47/08/949134708.db2.gz RZBUKUMLTSATCC-UHFFFAOYSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1occc1C(=O)NC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001574446628 949137057 /nfs/dbraw/zinc/13/70/57/949137057.db2.gz UGJGAYVQRGVKAF-GFCCVEGCSA-N -1 1 382.428 1.629 20 0 GDADMM CC(C)c1occc1C(=O)NC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001574446628 949137070 /nfs/dbraw/zinc/13/70/70/949137070.db2.gz UGJGAYVQRGVKAF-GFCCVEGCSA-N -1 1 382.428 1.629 20 0 GDADMM CC(C)c1nnsc1C(=O)N[C@H](C)CCNc1nccnc1-c1nnn[n-]1 ZINC001574697011 949147856 /nfs/dbraw/zinc/14/78/56/949147856.db2.gz XBJMMACHCBWEMA-SECBINFHSA-N -1 1 388.461 1.252 20 0 GDADMM CC(C)c1nnsc1C(=O)N[C@H](C)CCNc1nccnc1-c1nn[n-]n1 ZINC001574697011 949147874 /nfs/dbraw/zinc/14/78/74/949147874.db2.gz XBJMMACHCBWEMA-SECBINFHSA-N -1 1 388.461 1.252 20 0 GDADMM C[C@@H](CNC(=O)COc1ccc(F)cc1)CNc1nccnc1-c1nnn[n-]1 ZINC001574934264 949151661 /nfs/dbraw/zinc/15/16/61/949151661.db2.gz DAQZMJPTJZYDJM-NSHDSACASA-N -1 1 386.391 1.039 20 0 GDADMM C[C@@H](CNC(=O)COc1ccc(F)cc1)CNc1nccnc1-c1nn[n-]n1 ZINC001574934264 949151671 /nfs/dbraw/zinc/15/16/71/949151671.db2.gz DAQZMJPTJZYDJM-NSHDSACASA-N -1 1 386.391 1.039 20 0 GDADMM C[C@@H](CNC(=O)COc1ccccc1F)CNc1nccnc1-c1nnn[n-]1 ZINC001574934329 949154903 /nfs/dbraw/zinc/15/49/03/949154903.db2.gz FELKLLFGOFNPED-NSHDSACASA-N -1 1 386.391 1.039 20 0 GDADMM C[C@@H](CNC(=O)COc1ccccc1F)CNc1nccnc1-c1nn[n-]n1 ZINC001574934329 949154917 /nfs/dbraw/zinc/15/49/17/949154917.db2.gz FELKLLFGOFNPED-NSHDSACASA-N -1 1 386.391 1.039 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)N1CCC(CCNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574095840 949157865 /nfs/dbraw/zinc/15/78/65/949157865.db2.gz ZKIVFWBPXBCWSW-LSDHHAIUSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)N1CCC(CCNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574095840 949157873 /nfs/dbraw/zinc/15/78/73/949157873.db2.gz ZKIVFWBPXBCWSW-LSDHHAIUSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)c1ocnc1C(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001574447309 949158391 /nfs/dbraw/zinc/15/83/91/949158391.db2.gz KLDPZPBKLWSJHC-LLVKDONJSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1ocnc1C(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001574447309 949158404 /nfs/dbraw/zinc/15/84/04/949158404.db2.gz KLDPZPBKLWSJHC-LLVKDONJSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1oncc1C(=O)N1CC[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574448199 949180030 /nfs/dbraw/zinc/18/00/30/949180030.db2.gz FXMNBKVDDVVVGG-LLVKDONJSA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1oncc1C(=O)N1CC[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574448199 949180043 /nfs/dbraw/zinc/18/00/43/949180043.db2.gz FXMNBKVDDVVVGG-LLVKDONJSA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cccnc1 ZINC001573787579 949182234 /nfs/dbraw/zinc/18/22/34/949182234.db2.gz XOINKJSTKPLTBM-JOCQHMNTSA-N -1 1 379.428 1.089 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573787579 949182246 /nfs/dbraw/zinc/18/22/46/949182246.db2.gz XOINKJSTKPLTBM-JOCQHMNTSA-N -1 1 379.428 1.089 20 0 GDADMM CC(C)c1oncc1C(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001574448228 949183897 /nfs/dbraw/zinc/18/38/97/949183897.db2.gz GRZJMYZZVOVXTG-UHFFFAOYSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1oncc1C(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001574448228 949183914 /nfs/dbraw/zinc/18/39/14/949183914.db2.gz GRZJMYZZVOVXTG-UHFFFAOYSA-N -1 1 383.416 1.167 20 0 GDADMM C[C@H](CNC(=O)COc1ccc(F)cc1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574934965 949188050 /nfs/dbraw/zinc/18/80/50/949188050.db2.gz WBODUVRWBZSCIB-NSHDSACASA-N -1 1 386.391 1.039 20 0 GDADMM C[C@H](CNC(=O)COc1ccc(F)cc1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574934965 949188063 /nfs/dbraw/zinc/18/80/63/949188063.db2.gz WBODUVRWBZSCIB-NSHDSACASA-N -1 1 386.391 1.039 20 0 GDADMM C[C@H](NC(=O)C1(C(F)(F)F)CCC1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575253509 949189748 /nfs/dbraw/zinc/18/97/48/949189748.db2.gz UMIVDJTYDSOQPR-IUCAKERBSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@H](NC(=O)C1(C(F)(F)F)CCC1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575253509 949189757 /nfs/dbraw/zinc/18/97/57/949189757.db2.gz UMIVDJTYDSOQPR-IUCAKERBSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H](C)NC(=O)C(C)(C)CC(F)(F)F ZINC001575254741 949211535 /nfs/dbraw/zinc/21/15/35/949211535.db2.gz XGHRPGKLFDOJFJ-BDAKNGLRSA-N -1 1 386.382 1.940 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H](C)NC(=O)C(C)(C)CC(F)(F)F ZINC001575254741 949211555 /nfs/dbraw/zinc/21/15/55/949211555.db2.gz XGHRPGKLFDOJFJ-BDAKNGLRSA-N -1 1 386.382 1.940 20 0 GDADMM CC(C)(C)C(=O)N1CCC2(CC1)CCN(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001573791519 949219833 /nfs/dbraw/zinc/21/98/33/949219833.db2.gz BLUQWBYYHZXTJU-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)(C)C(=O)N1CCC2(CC1)CCN(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001573791519 949219853 /nfs/dbraw/zinc/21/98/53/949219853.db2.gz BLUQWBYYHZXTJU-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@@H](CNC(=O)C[C@@H]1C[C@H]1Cc1ccccc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574936824 949220731 /nfs/dbraw/zinc/22/07/31/949220731.db2.gz LDOWJEQBQDKTMG-IMJJTQAJSA-N -1 1 392.467 1.842 20 0 GDADMM C[C@@H](CNC(=O)C[C@@H]1C[C@H]1Cc1ccccc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574936824 949220750 /nfs/dbraw/zinc/22/07/50/949220750.db2.gz LDOWJEQBQDKTMG-IMJJTQAJSA-N -1 1 392.467 1.842 20 0 GDADMM C[C@H]1CCC[C@@H](OCC(=O)N(C)CCN(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001576151469 949223326 /nfs/dbraw/zinc/22/33/26/949223326.db2.gz FQONMHRLLINGOJ-UONOGXRCSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@H]1CCC[C@@H](OCC(=O)N(C)CCN(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001576151469 949223343 /nfs/dbraw/zinc/22/33/43/949223343.db2.gz FQONMHRLLINGOJ-UONOGXRCSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@@H](NC(=O)C1(c2ccccc2)CC1)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575255186 949228951 /nfs/dbraw/zinc/22/89/51/949228951.db2.gz PVCWBXYHTPLAKP-CHWSQXEVSA-N -1 1 378.440 1.694 20 0 GDADMM C[C@@H](NC(=O)C1(c2ccccc2)CC1)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575255186 949228975 /nfs/dbraw/zinc/22/89/75/949228975.db2.gz PVCWBXYHTPLAKP-CHWSQXEVSA-N -1 1 378.440 1.694 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(Cl)s1)Nc1nccnc1-c1nnn[n-]1 ZINC001574938069 949235057 /nfs/dbraw/zinc/23/50/57/949235057.db2.gz RHHFHKPGYUYVGQ-QMMMGPOBSA-N -1 1 378.849 1.531 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(Cl)s1)Nc1nccnc1-c1nn[n-]n1 ZINC001574938069 949235076 /nfs/dbraw/zinc/23/50/76/949235076.db2.gz RHHFHKPGYUYVGQ-QMMMGPOBSA-N -1 1 378.849 1.531 20 0 GDADMM C[C@@]1(c2cccc(NC(=O)c3csc(-c4nn[n-]n4)c3)c2)NC(=O)NC1=O ZINC001575856282 949242059 /nfs/dbraw/zinc/24/20/59/949242059.db2.gz DRCHCYIIFKOIKG-INIZCTEOSA-N -1 1 383.393 1.235 20 0 GDADMM CC(C)CC(=O)N1CC2(C[C@@H]1C)CCN(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001574103433 949246704 /nfs/dbraw/zinc/24/67/04/949246704.db2.gz SHIWYWVNQOKVHQ-AWEZNQCLSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CC(=O)N1CC2(C[C@@H]1C)CCN(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001574103433 949246729 /nfs/dbraw/zinc/24/67/29/949246729.db2.gz SHIWYWVNQOKVHQ-AWEZNQCLSA-N -1 1 384.488 1.910 20 0 GDADMM CC1(C(=O)N2CCC(C)(Nc3nccnc3-c3nnn[n-]3)CC2)CC(F)(F)C1 ZINC001575856863 949255808 /nfs/dbraw/zinc/25/58/08/949255808.db2.gz KUSNCBBKCHBJJX-UHFFFAOYSA-N -1 1 392.414 1.885 20 0 GDADMM CC1(C(=O)N2CCC(C)(Nc3nccnc3-c3nn[n-]n3)CC2)CC(F)(F)C1 ZINC001575856863 949255830 /nfs/dbraw/zinc/25/58/30/949255830.db2.gz KUSNCBBKCHBJJX-UHFFFAOYSA-N -1 1 392.414 1.885 20 0 GDADMM C[C@H](CN(C)C(=O)C1(c2ccccc2)CC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574701488 949262345 /nfs/dbraw/zinc/26/23/45/949262345.db2.gz BCBIACYGSJAEOJ-CYBMUJFWSA-N -1 1 378.440 1.647 20 0 GDADMM C[C@H](CN(C)C(=O)C1(c2ccccc2)CC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574701488 949262364 /nfs/dbraw/zinc/26/23/64/949262364.db2.gz BCBIACYGSJAEOJ-CYBMUJFWSA-N -1 1 378.440 1.647 20 0 GDADMM CC(C)n1cc(C(=O)N2CC[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001574452818 949270707 /nfs/dbraw/zinc/27/07/07/949270707.db2.gz NGFCQQFPXGAYAA-LBPRGKRZSA-N -1 1 382.432 1.008 20 0 GDADMM CC(C)n1cc(C(=O)N2CC[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001574452818 949270718 /nfs/dbraw/zinc/27/07/18/949270718.db2.gz NGFCQQFPXGAYAA-LBPRGKRZSA-N -1 1 382.432 1.008 20 0 GDADMM C[C@@H](CN(C)C(=O)C1(C(F)(F)F)CCC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574701835 949276113 /nfs/dbraw/zinc/27/61/13/949276113.db2.gz FHPSOTREYFKZOB-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](CN(C)C(=O)C1(C(F)(F)F)CCC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574701835 949276138 /nfs/dbraw/zinc/27/61/38/949276138.db2.gz FHPSOTREYFKZOB-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc2cnccc2c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574940889 949278867 /nfs/dbraw/zinc/27/88/67/949278867.db2.gz LUIOSWAOFCMTIX-LBPRGKRZSA-N -1 1 389.423 1.364 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc2cnccc2c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574940889 949278890 /nfs/dbraw/zinc/27/88/90/949278890.db2.gz LUIOSWAOFCMTIX-LBPRGKRZSA-N -1 1 389.423 1.364 20 0 GDADMM C[C@@H]1CCC[C@@H](C(=O)N2C[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]3C2)C1 ZINC001576153360 949284884 /nfs/dbraw/zinc/28/48/84/949284884.db2.gz LZSKDQPGJSAQBK-TUVASFSCSA-N -1 1 382.472 1.378 20 0 GDADMM CC(C)CC(=O)N1CCC[C@@H]([C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001574108138 949287390 /nfs/dbraw/zinc/28/73/90/949287390.db2.gz LUFQHRHRJXRKJN-CABCVRRESA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)CC(=O)N1CCC[C@@H]([C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001574108138 949287410 /nfs/dbraw/zinc/28/74/10/949287410.db2.gz LUFQHRHRJXRKJN-CABCVRRESA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)n1 ZINC001575860239 949293018 /nfs/dbraw/zinc/29/30/18/949293018.db2.gz DVNJKLKRJMRHEY-MGPLVRAMSA-N -1 1 390.473 1.211 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)n1 ZINC001575860239 949293041 /nfs/dbraw/zinc/29/30/41/949293041.db2.gz DVNJKLKRJMRHEY-MGPLVRAMSA-N -1 1 390.473 1.211 20 0 GDADMM C[C@H](NC(=O)C1C=CC=CC=C1)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575258428 949295989 /nfs/dbraw/zinc/29/59/89/949295989.db2.gz HGEIRFOSBUVSOL-HOCLYGCPSA-N -1 1 392.467 1.676 20 0 GDADMM C[C@H](NC(=O)C1C=CC=CC=C1)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575258428 949296010 /nfs/dbraw/zinc/29/60/10/949296010.db2.gz HGEIRFOSBUVSOL-HOCLYGCPSA-N -1 1 392.467 1.676 20 0 GDADMM C[C@@H](NC(=O)C1=COCCC1)[C@@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575258484 949303469 /nfs/dbraw/zinc/30/34/69/949303469.db2.gz IABMKBGYJZOSJV-HTQZYQBOSA-N -1 1 383.865 1.976 20 0 GDADMM CC(C)n1ccc(C(=O)N2CC[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001574457254 949320989 /nfs/dbraw/zinc/32/09/89/949320989.db2.gz DVSZUJIHSSPBSZ-GFCCVEGCSA-N -1 1 382.432 1.008 20 0 GDADMM CC(C)n1ccc(C(=O)N2CC[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001574457254 949321011 /nfs/dbraw/zinc/32/10/11/949321011.db2.gz DVSZUJIHSSPBSZ-GFCCVEGCSA-N -1 1 382.432 1.008 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(Cl)c1F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574941886 949322365 /nfs/dbraw/zinc/32/23/65/949322365.db2.gz UVXPDRLHMUTMRF-VIFPVBQESA-N -1 1 390.810 1.609 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(Cl)c1F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574941886 949322389 /nfs/dbraw/zinc/32/23/89/949322389.db2.gz UVXPDRLHMUTMRF-VIFPVBQESA-N -1 1 390.810 1.609 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(F)c1F)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574942088 949330515 /nfs/dbraw/zinc/33/05/15/949330515.db2.gz VMDHZGLJPFETFS-JTQLQIEISA-N -1 1 388.382 1.342 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(F)c1F)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574942088 949330535 /nfs/dbraw/zinc/33/05/35/949330535.db2.gz VMDHZGLJPFETFS-JTQLQIEISA-N -1 1 388.382 1.342 20 0 GDADMM CC(C)n1ccc(C(=O)N2CCC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001574458182 949335668 /nfs/dbraw/zinc/33/56/68/949335668.db2.gz QIPKTDYAKQRHHG-GFCCVEGCSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1ccc(C(=O)N2CCC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001574458182 949335686 /nfs/dbraw/zinc/33/56/86/949335686.db2.gz QIPKTDYAKQRHHG-GFCCVEGCSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@H](CN(C)C(=O)C1(C(F)(F)F)CCC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574703541 949338206 /nfs/dbraw/zinc/33/82/06/949338206.db2.gz WCRGOWUASMIBIX-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](CN(C)C(=O)C1(C(F)(F)F)CCC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574703541 949338228 /nfs/dbraw/zinc/33/82/28/949338228.db2.gz WCRGOWUASMIBIX-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)n1ccc(C(=O)NC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C2CC2)n1 ZINC001574458116 949339136 /nfs/dbraw/zinc/33/91/36/949339136.db2.gz PHJIYUKCJJGORP-ZDUSSCGKSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1ccc(C(=O)NC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C2CC2)n1 ZINC001574458116 949339159 /nfs/dbraw/zinc/33/91/59/949339159.db2.gz PHJIYUKCJJGORP-ZDUSSCGKSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(F)c1F)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574942311 949349046 /nfs/dbraw/zinc/34/90/46/949349046.db2.gz YGJCXIRVLXANLM-JTQLQIEISA-N -1 1 388.382 1.119 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(F)c1F)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574942311 949349068 /nfs/dbraw/zinc/34/90/68/949349068.db2.gz YGJCXIRVLXANLM-JTQLQIEISA-N -1 1 388.382 1.119 20 0 GDADMM CC(C)n1ccc(C(=O)N2CCC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)n1 ZINC001574458837 949351637 /nfs/dbraw/zinc/35/16/37/949351637.db2.gz ZTWWPOOYJFLMHL-LBPRGKRZSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1ccc(C(=O)N2CCC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)n1 ZINC001574458837 949351661 /nfs/dbraw/zinc/35/16/61/949351661.db2.gz ZTWWPOOYJFLMHL-LBPRGKRZSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)CC(=O)N[C@@H]1[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)[C@@H]2C1(C)C ZINC001574111014 949368283 /nfs/dbraw/zinc/36/82/83/949368283.db2.gz CZKZXPIAYXOBHK-WQVCFCJDSA-N -1 1 384.488 1.812 20 0 GDADMM CC(C)CC(=O)N[C@@H]1[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)[C@@H]2C1(C)C ZINC001574111014 949368305 /nfs/dbraw/zinc/36/83/05/949368305.db2.gz CZKZXPIAYXOBHK-WQVCFCJDSA-N -1 1 384.488 1.812 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1CCCCC1(F)F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574704212 949373690 /nfs/dbraw/zinc/37/36/90/949373690.db2.gz AZFKJJVMZDJSOX-MNOVXSKESA-N -1 1 380.403 1.163 20 0 GDADMM CC1(C(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C(C)(C)C2)CC(F)(F)C1 ZINC001575528013 949385624 /nfs/dbraw/zinc/38/56/24/949385624.db2.gz KWZBQUIOHSSEPJ-NSHDSACASA-N -1 1 392.414 1.741 20 0 GDADMM CC1(C(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C(C)(C)C2)CC(F)(F)C1 ZINC001575528013 949385646 /nfs/dbraw/zinc/38/56/46/949385646.db2.gz KWZBQUIOHSSEPJ-NSHDSACASA-N -1 1 392.414 1.741 20 0 GDADMM C[C@H]1CCC[C@@]1(C)C(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001576155271 949395716 /nfs/dbraw/zinc/39/57/16/949395716.db2.gz UJTGXAJKHGTURT-WZFJYNIESA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H]1CCC[C@@]1(C)C(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001576155271 949395735 /nfs/dbraw/zinc/39/57/35/949395735.db2.gz UJTGXAJKHGTURT-WZFJYNIESA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1CCCCC1(F)F)Nc1nccnc1-c1nnn[n-]1 ZINC001574704579 949400142 /nfs/dbraw/zinc/40/01/42/949400142.db2.gz DCZXTOHPFMFKMA-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1CCCCC1(F)F)Nc1nccnc1-c1nn[n-]n1 ZINC001574704579 949400157 /nfs/dbraw/zinc/40/01/57/949400157.db2.gz DCZXTOHPFMFKMA-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)(C)C(=O)NC[C@@H]1Cc2ccccc2CN1c1ccnc(-c2nn[n-]n2)n1 ZINC001573801820 949402585 /nfs/dbraw/zinc/40/25/85/949402585.db2.gz ABPAWAGXTGVWNS-HNNXBMFYSA-N -1 1 392.467 1.750 20 0 GDADMM C[C@@H]1CCC[C@H]1CC(=O)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576155591 949413993 /nfs/dbraw/zinc/41/39/93/949413993.db2.gz JJCVOSYCFSQUKE-HIFRSBDPSA-N -1 1 384.488 1.555 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001574464582 949415650 /nfs/dbraw/zinc/41/56/50/949415650.db2.gz MXEZLAFAONNMJY-CYBMUJFWSA-N -1 1 381.444 1.438 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001574464582 949415667 /nfs/dbraw/zinc/41/56/67/949415667.db2.gz MXEZLAFAONNMJY-CYBMUJFWSA-N -1 1 381.444 1.438 20 0 GDADMM CC(C)n1cnc(C(=O)N2CCC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001574464622 949419483 /nfs/dbraw/zinc/41/94/83/949419483.db2.gz OPXMMOSWJQFESE-GFCCVEGCSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1cnc(C(=O)N2CCC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001574464622 949419497 /nfs/dbraw/zinc/41/94/97/949419497.db2.gz OPXMMOSWJQFESE-GFCCVEGCSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@H](NC(=O)CC(F)(F)F)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575264202 949419951 /nfs/dbraw/zinc/41/99/51/949419951.db2.gz MWNSQLXNQYXDJS-UWVGGRQHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](NC(=O)CC(F)(F)F)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575264202 949419964 /nfs/dbraw/zinc/41/99/64/949419964.db2.gz MWNSQLXNQYXDJS-UWVGGRQHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](CNC(=O)Cc1csc(C2CC2)n1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574946249 949427526 /nfs/dbraw/zinc/42/75/26/949427526.db2.gz TVZVAIMBTXVBPF-VIFPVBQESA-N -1 1 385.457 1.150 20 0 GDADMM C[C@@H](CNC(=O)Cc1csc(C2CC2)n1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574946249 949427530 /nfs/dbraw/zinc/42/75/30/949427530.db2.gz TVZVAIMBTXVBPF-VIFPVBQESA-N -1 1 385.457 1.150 20 0 GDADMM CC(C)n1cccc1C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574465106 949428510 /nfs/dbraw/zinc/42/85/10/949428510.db2.gz NSABKPJNWHXAEA-TZMCWYRMSA-N -1 1 381.444 1.612 20 0 GDADMM CC(C)n1cccc1C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574465106 949428522 /nfs/dbraw/zinc/42/85/22/949428522.db2.gz NSABKPJNWHXAEA-TZMCWYRMSA-N -1 1 381.444 1.612 20 0 GDADMM CC(C)n1cnc(C(=O)N[C@H](CNc2cncc(-c3nnn[n-]3)n2)C2CC2)c1 ZINC001574465098 949431197 /nfs/dbraw/zinc/43/11/97/949431197.db2.gz XGYQGQQESNKJPY-GFCCVEGCSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cnc(C(=O)N[C@H](CNc2cncc(-c3nn[n-]n3)n2)C2CC2)c1 ZINC001574465098 949431213 /nfs/dbraw/zinc/43/12/13/949431213.db2.gz XGYQGQQESNKJPY-GFCCVEGCSA-N -1 1 382.432 1.055 20 0 GDADMM CC1(C(=O)N2CC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CC(F)(F)C1 ZINC001575534878 949436802 /nfs/dbraw/zinc/43/68/02/949436802.db2.gz RLYVYHIDRLDCHJ-SNVBAGLBSA-N -1 1 378.387 1.353 20 0 GDADMM CC1(C(=O)N2CC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CC(F)(F)C1 ZINC001575534878 949436812 /nfs/dbraw/zinc/43/68/12/949436812.db2.gz RLYVYHIDRLDCHJ-SNVBAGLBSA-N -1 1 378.387 1.353 20 0 GDADMM C[C@@]1(C(=O)N2CC[C@@H](CCNc3ccc(-c4nnn[n-]4)nn3)C2)CCCOC1 ZINC001575535344 949445684 /nfs/dbraw/zinc/44/56/84/949445684.db2.gz VSIWUJNORJTRMY-FZKQIMNGSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@@]1(C(=O)N2CC[C@@H](CCNc3ccc(-c4nn[n-]n4)nn3)C2)CCCOC1 ZINC001575535344 949445694 /nfs/dbraw/zinc/44/56/94/949445694.db2.gz VSIWUJNORJTRMY-FZKQIMNGSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@H](NC(=O)CC(F)(F)F)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575265277 949448006 /nfs/dbraw/zinc/44/80/06/949448006.db2.gz SZUXWJAYZQJDPN-VHSXEESVSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](NC(=O)CC(F)(F)F)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575265277 949448017 /nfs/dbraw/zinc/44/80/17/949448017.db2.gz SZUXWJAYZQJDPN-VHSXEESVSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)n1ncc(C(=O)N[C@H](C)CNc2nccnc2-c2nnn[n-]2)c1Cl ZINC001574469132 949472894 /nfs/dbraw/zinc/47/28/94/949472894.db2.gz XHOVXVMPFWQFIN-SECBINFHSA-N -1 1 390.839 1.318 20 0 GDADMM CC(C)n1ncc(C(=O)N[C@H](C)CNc2nccnc2-c2nn[n-]n2)c1Cl ZINC001574469132 949472916 /nfs/dbraw/zinc/47/29/16/949472916.db2.gz XHOVXVMPFWQFIN-SECBINFHSA-N -1 1 390.839 1.318 20 0 GDADMM C[C@@H]1CCC[C@@H]1CC(=O)NCCC1(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576157098 949473446 /nfs/dbraw/zinc/47/34/46/949473446.db2.gz PMPSHXIGPWHYLC-ZIAGYGMSSA-N -1 1 384.488 1.603 20 0 GDADMM C[C@H](CN(C)C(=O)C1CC2(C1)CCOCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574708891 949503498 /nfs/dbraw/zinc/50/34/98/949503498.db2.gz YAPRAMFWMHCMTA-GFCCVEGCSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H](CN(C)C(=O)C1CC2(C1)CCOCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574708891 949503512 /nfs/dbraw/zinc/50/35/12/949503512.db2.gz YAPRAMFWMHCMTA-GFCCVEGCSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](CNC(=O)[C@@H](C)Cc1ccccc1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574949769 949511562 /nfs/dbraw/zinc/51/15/62/949511562.db2.gz CSPWXUCTDFAFHD-KGLIPLIRSA-N -1 1 380.456 1.700 20 0 GDADMM C[C@@H](CNC(=O)[C@@H](C)Cc1ccccc1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574949769 949511573 /nfs/dbraw/zinc/51/15/73/949511573.db2.gz CSPWXUCTDFAFHD-KGLIPLIRSA-N -1 1 380.456 1.700 20 0 GDADMM C[C@H](CC(=O)N(C)C1CC(Nc2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001574470769 949512345 /nfs/dbraw/zinc/51/23/45/949512345.db2.gz GJDDJQBXODIZKP-IYXRBSQSSA-N -1 1 381.444 1.511 20 0 GDADMM C[C@H](CC(=O)N(C)C1CC(Nc2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574470769 949512360 /nfs/dbraw/zinc/51/23/60/949512360.db2.gz GJDDJQBXODIZKP-IYXRBSQSSA-N -1 1 381.444 1.511 20 0 GDADMM CC1(C(=O)N2CCC[C@@H]([C@H]3CCN(c4cnc(-c5nnn[n-]5)cn4)C3)C2)CC1 ZINC001575538177 949513733 /nfs/dbraw/zinc/51/37/33/949513733.db2.gz DLJRWMNPHKJMBG-KGLIPLIRSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C(=O)N2CCC[C@@H]([C@H]3CCN(c4cnc(-c5nn[n-]n5)cn4)C3)C2)CC1 ZINC001575538177 949513748 /nfs/dbraw/zinc/51/37/48/949513748.db2.gz DLJRWMNPHKJMBG-KGLIPLIRSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CC2CC(C)(C)C2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575872019 949529737 /nfs/dbraw/zinc/52/97/37/949529737.db2.gz FGNUFILECLMWPV-JSGCOSHPSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@@H](NC(=O)CC1(C(F)(F)F)CC1)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575269257 949545234 /nfs/dbraw/zinc/54/52/34/949545234.db2.gz SNERWRPYLXDORH-RKDXNWHRSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](NC(=O)CC1(C(F)(F)F)CC1)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575269257 949545252 /nfs/dbraw/zinc/54/52/52/949545252.db2.gz SNERWRPYLXDORH-RKDXNWHRSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@H](CNC(=O)[C@@H](C)OCc1ccccc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574951012 949548743 /nfs/dbraw/zinc/54/87/43/949548743.db2.gz WHJCGPOGILSQLP-CHWSQXEVSA-N -1 1 382.428 1.179 20 0 GDADMM C[C@H](CNC(=O)[C@@H](C)OCc1ccccc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574951012 949548755 /nfs/dbraw/zinc/54/87/55/949548755.db2.gz WHJCGPOGILSQLP-CHWSQXEVSA-N -1 1 382.428 1.179 20 0 GDADMM C[C@@H](CN(C)C(=O)CC(C)(C)CC(F)F)Nc1nccnc1-c1nnn[n-]1 ZINC001574711889 949560072 /nfs/dbraw/zinc/56/00/72/949560072.db2.gz NNNMMEXVQFHGBK-JTQLQIEISA-N -1 1 382.419 1.987 20 0 GDADMM C[C@@H](CN(C)C(=O)CC(C)(C)CC(F)F)Nc1nccnc1-c1nn[n-]n1 ZINC001574711889 949560080 /nfs/dbraw/zinc/56/00/80/949560080.db2.gz NNNMMEXVQFHGBK-JTQLQIEISA-N -1 1 382.419 1.987 20 0 GDADMM C[C@H](CC(=O)N(C)CCN(C)c1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001574475484 949567440 /nfs/dbraw/zinc/56/74/40/949567440.db2.gz AUXVZBDDNJFCJW-CQSZACIVSA-N -1 1 380.456 1.745 20 0 GDADMM C[C@H](CC(=O)N(C)CCN(C)c1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001574475484 949567452 /nfs/dbraw/zinc/56/74/52/949567452.db2.gz AUXVZBDDNJFCJW-CQSZACIVSA-N -1 1 380.456 1.745 20 0 GDADMM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1)CC(C)(C)C ZINC001574475766 949571491 /nfs/dbraw/zinc/57/14/91/949571491.db2.gz BUVRGZPPELTMSK-QWHCGFSZSA-N -1 1 390.492 1.350 20 0 GDADMM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1)CC(C)(C)C ZINC001574475766 949571512 /nfs/dbraw/zinc/57/15/12/949571512.db2.gz BUVRGZPPELTMSK-QWHCGFSZSA-N -1 1 390.492 1.350 20 0 GDADMM CC1(C(=O)N2CCC[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)CC(F)(F)C1 ZINC001575540684 949572284 /nfs/dbraw/zinc/57/22/84/949572284.db2.gz ZDWCWFFPZLGKJX-NSHDSACASA-N -1 1 392.414 1.743 20 0 GDADMM CC1(C(=O)N2CCC[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)CC(F)(F)C1 ZINC001575540684 949572296 /nfs/dbraw/zinc/57/22/96/949572296.db2.gz ZDWCWFFPZLGKJX-NSHDSACASA-N -1 1 392.414 1.743 20 0 GDADMM C[C@@H](NC(=O)CC1CCCC1)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575270163 949577577 /nfs/dbraw/zinc/57/75/77/949577577.db2.gz YIYAIGSEGRTOLO-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](NC(=O)CC1CCCC1)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575270163 949577590 /nfs/dbraw/zinc/57/75/90/949577590.db2.gz YIYAIGSEGRTOLO-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](NC(=O)CCC(F)F)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575270321 949588290 /nfs/dbraw/zinc/58/82/90/949588290.db2.gz ZGZRWQMRYYBTOW-WDEREUQCSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H](NC(=O)CCC(F)F)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575270321 949588307 /nfs/dbraw/zinc/58/83/07/949588307.db2.gz ZGZRWQMRYYBTOW-WDEREUQCSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CCc2ccccc2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575873769 949592340 /nfs/dbraw/zinc/59/23/40/949592340.db2.gz CLDCPZQEBRXURP-HOCLYGCPSA-N -1 1 392.467 1.763 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CCc2ccccc2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575873769 949592361 /nfs/dbraw/zinc/59/23/61/949592361.db2.gz CLDCPZQEBRXURP-HOCLYGCPSA-N -1 1 392.467 1.763 20 0 GDADMM C[C@H]1CCCC[C@H]1CC(=O)NCCN(c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001576166792 949596534 /nfs/dbraw/zinc/59/65/34/949596534.db2.gz AHWSVZBIDBTCLM-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCCC[C@H]1CC(=O)NCCN(c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001576166792 949596547 /nfs/dbraw/zinc/59/65/47/949596547.db2.gz AHWSVZBIDBTCLM-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1nccnc1-c1nnn[n-]1)CC(C)(C)C ZINC001574476444 949603510 /nfs/dbraw/zinc/60/35/10/949603510.db2.gz HDVPVUJVAMPUHA-QWHCGFSZSA-N -1 1 390.492 1.350 20 0 GDADMM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1nccnc1-c1nn[n-]n1)CC(C)(C)C ZINC001574476444 949603527 /nfs/dbraw/zinc/60/35/27/949603527.db2.gz HDVPVUJVAMPUHA-QWHCGFSZSA-N -1 1 390.492 1.350 20 0 GDADMM CC1(C(=O)N2CCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)CC(F)(F)C1 ZINC001575545936 949604408 /nfs/dbraw/zinc/60/44/08/949604408.db2.gz NRKDQUWJQVLFGF-JTQLQIEISA-N -1 1 378.387 1.495 20 0 GDADMM CC1(C(=O)N2CCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)CC(F)(F)C1 ZINC001575545936 949604425 /nfs/dbraw/zinc/60/44/25/949604425.db2.gz NRKDQUWJQVLFGF-JTQLQIEISA-N -1 1 378.387 1.495 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2CC3(CCC3)C2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575874193 949606608 /nfs/dbraw/zinc/60/66/08/949606608.db2.gz RZDQBAPXHXIRFE-TZMCWYRMSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2CC3(CCC3)C2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575874193 949606622 /nfs/dbraw/zinc/60/66/22/949606622.db2.gz RZDQBAPXHXIRFE-TZMCWYRMSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@@]1(C(=O)N2CCCCC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)CCOC1 ZINC001575546056 949606651 /nfs/dbraw/zinc/60/66/51/949606651.db2.gz OOZCDCFBKWVAOK-FZKQIMNGSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@@]1(C(=O)N2CCCCC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)CCOC1 ZINC001575546056 949606665 /nfs/dbraw/zinc/60/66/65/949606665.db2.gz OOZCDCFBKWVAOK-FZKQIMNGSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2CCC=CCC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575874524 949615608 /nfs/dbraw/zinc/61/56/08/949615608.db2.gz STRVVCYDIHZJNV-DZGCQCFKSA-N -1 1 382.472 1.877 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2CCC=CCC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575874524 949615618 /nfs/dbraw/zinc/61/56/18/949615618.db2.gz STRVVCYDIHZJNV-DZGCQCFKSA-N -1 1 382.472 1.877 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2CC(F)(F)C2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576168085 949625803 /nfs/dbraw/zinc/62/58/03/949625803.db2.gz SRFXGPLDPQJXIH-ZYHUDNBSSA-N -1 1 392.414 1.163 20 0 GDADMM C[C@@H](NC(=O)CCCC1CC1)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575271784 949628905 /nfs/dbraw/zinc/62/89/05/949628905.db2.gz MBNHRMAFVDJGEU-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](NC(=O)CCCC1CC1)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575271784 949628915 /nfs/dbraw/zinc/62/89/15/949628915.db2.gz MBNHRMAFVDJGEU-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574957964 949642106 /nfs/dbraw/zinc/64/21/06/949642106.db2.gz KDYCZAZGGINOEG-ZQGRQUNCSA-N -1 1 392.467 1.575 20 0 GDADMM C[C@H]1[C@H](NC(=O)CCC(C)(F)F)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575876171 949642149 /nfs/dbraw/zinc/64/21/49/949642149.db2.gz XABRVQWUQFOAIS-WDEREUQCSA-N -1 1 380.403 1.566 20 0 GDADMM C[C@H]1[C@H](NC(=O)CCC(C)(F)F)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575876171 949642164 /nfs/dbraw/zinc/64/21/64/949642164.db2.gz XABRVQWUQFOAIS-WDEREUQCSA-N -1 1 380.403 1.566 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574957964 949642124 /nfs/dbraw/zinc/64/21/24/949642124.db2.gz KDYCZAZGGINOEG-ZQGRQUNCSA-N -1 1 392.467 1.575 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1C=CC=CC=C1 ZINC001573815021 949649655 /nfs/dbraw/zinc/64/96/55/949649655.db2.gz GANZFEDRMMQHGA-CQSZACIVSA-N -1 1 380.456 1.320 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C1CC(F)(F)C1 ZINC001573815617 949657769 /nfs/dbraw/zinc/65/77/69/949657769.db2.gz JKLCMQJVYVKSCH-NSHDSACASA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C1CC(F)(F)C1 ZINC001573815617 949657780 /nfs/dbraw/zinc/65/77/80/949657780.db2.gz JKLCMQJVYVKSCH-NSHDSACASA-N -1 1 380.403 1.645 20 0 GDADMM CC1(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CCC(F)(F)CC1 ZINC001575548267 949663342 /nfs/dbraw/zinc/66/33/42/949663342.db2.gz WQLGCUODKZGKFK-UHFFFAOYSA-N -1 1 392.414 1.521 20 0 GDADMM CC1(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CCC(F)(F)CC1 ZINC001575548267 949663356 /nfs/dbraw/zinc/66/33/56/949663356.db2.gz WQLGCUODKZGKFK-UHFFFAOYSA-N -1 1 392.414 1.521 20 0 GDADMM C[C@@H](NC(=O)CCCc1ccccn1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575273797 949672892 /nfs/dbraw/zinc/67/28/92/949672892.db2.gz YDHKPYRJXSPBEE-QWHCGFSZSA-N -1 1 381.444 1.380 20 0 GDADMM C[C@@H](NC(=O)CCCc1ccccn1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575273797 949672906 /nfs/dbraw/zinc/67/29/06/949672906.db2.gz YDHKPYRJXSPBEE-QWHCGFSZSA-N -1 1 381.444 1.380 20 0 GDADMM C[C@@H](CC(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCCO1 ZINC001574477867 949683551 /nfs/dbraw/zinc/68/35/51/949683551.db2.gz VQUZLYUMRHOYIC-ZFWWWQNUSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@@H](CC(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCCO1 ZINC001574477867 949683569 /nfs/dbraw/zinc/68/35/69/949683569.db2.gz VQUZLYUMRHOYIC-ZFWWWQNUSA-N -1 1 388.476 1.147 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CC[C@@H]1CCCO1 ZINC001573817140 949693439 /nfs/dbraw/zinc/69/34/39/949693439.db2.gz XNZZZEVDENWBKE-GXTWGEPZSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CC[C@@H]1CCCO1 ZINC001573817140 949693457 /nfs/dbraw/zinc/69/34/57/949693457.db2.gz XNZZZEVDENWBKE-GXTWGEPZSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CCc2ccoc2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575879847 949694014 /nfs/dbraw/zinc/69/40/14/949694014.db2.gz RXTCOCNWVMVYIQ-JSGCOSHPSA-N -1 1 382.428 1.356 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CCc2ccoc2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575879847 949694034 /nfs/dbraw/zinc/69/40/34/949694034.db2.gz RXTCOCNWVMVYIQ-JSGCOSHPSA-N -1 1 382.428 1.356 20 0 GDADMM C[C@@H](CN(C)C(=O)CC[C@@H]1CC(C)(C)CO1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574716908 949712027 /nfs/dbraw/zinc/71/20/27/949712027.db2.gz MPGLXWDFOFKCLW-QWHCGFSZSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CN(C)C(=O)CC[C@@H]1CC(C)(C)CO1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574716908 949712036 /nfs/dbraw/zinc/71/20/36/949712036.db2.gz MPGLXWDFOFKCLW-QWHCGFSZSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001576170590 949723801 /nfs/dbraw/zinc/72/38/01/949723801.db2.gz MCUYIXBSXXWLPA-APIJFGDWSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001576170590 949723816 /nfs/dbraw/zinc/72/38/16/949723816.db2.gz MCUYIXBSXXWLPA-APIJFGDWSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H]1CCCC[C@@H]1CC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001576170565 949724987 /nfs/dbraw/zinc/72/49/87/949724987.db2.gz LRZGWMHQDNNDHN-ZZRRNANISA-N -1 1 382.472 1.424 20 0 GDADMM C[C@H]1CCCC[C@@H]1CC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001576170565 949725003 /nfs/dbraw/zinc/72/50/03/949725003.db2.gz LRZGWMHQDNNDHN-ZZRRNANISA-N -1 1 382.472 1.424 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001574479039 949726973 /nfs/dbraw/zinc/72/69/73/949726973.db2.gz CEKXKEVQXSTBCC-ZJUUUORDSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001574479039 949726981 /nfs/dbraw/zinc/72/69/81/949726981.db2.gz CEKXKEVQXSTBCC-ZJUUUORDSA-N -1 1 384.366 1.282 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001574134733 949731028 /nfs/dbraw/zinc/73/10/28/949731028.db2.gz IWUYIBNKROOLHA-SOUVJXGZSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@]1(C(=O)N[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C2CCCC2)CCOC1 ZINC001575558093 949731876 /nfs/dbraw/zinc/73/18/76/949731876.db2.gz OLLQDIYYJZBRGU-UGSOOPFHSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@]1(C(=O)N[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C2CCCC2)CCOC1 ZINC001575558093 949731886 /nfs/dbraw/zinc/73/18/86/949731886.db2.gz OLLQDIYYJZBRGU-UGSOOPFHSA-N -1 1 386.460 1.170 20 0 GDADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccccc1O ZINC001573818322 949731971 /nfs/dbraw/zinc/73/19/71/949731971.db2.gz KRDGIOCNZHJJHC-ZDUSSCGKSA-N -1 1 382.428 1.041 20 0 GDADMM C[C@@H](CC(=O)N1CCC(CN(C)c2ccnc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001574479320 949734291 /nfs/dbraw/zinc/73/42/91/949734291.db2.gz DOMYYUPMZLUJKW-ZDUSSCGKSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@]1(C(=O)N[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C2CCCC2)CCOC1 ZINC001575558499 949743057 /nfs/dbraw/zinc/74/30/57/949743057.db2.gz QEAJGVOAAICLAH-KDOFPFPSSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@]1(C(=O)N[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C2CCCC2)CCOC1 ZINC001575558499 949743073 /nfs/dbraw/zinc/74/30/73/949743073.db2.gz QEAJGVOAAICLAH-KDOFPFPSSA-N -1 1 386.460 1.170 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001573819777 949760568 /nfs/dbraw/zinc/76/05/68/949760568.db2.gz VBAUPPKFNSWWSN-JHJVBQTASA-N -1 1 386.504 1.704 20 0 GDADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccc(F)s1 ZINC001573820709 949768358 /nfs/dbraw/zinc/76/83/58/949768358.db2.gz ZEUGZEXOIKUPHD-JTQLQIEISA-N -1 1 390.448 1.536 20 0 GDADMM C[C@@H]1CCCC[C@@H]1CC(=O)NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576171629 949774145 /nfs/dbraw/zinc/77/41/45/949774145.db2.gz QPGAXUYEGYPZRF-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCCC[C@@H]1CC(=O)NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576171629 949774156 /nfs/dbraw/zinc/77/41/56/949774156.db2.gz QPGAXUYEGYPZRF-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001574481811 949805710 /nfs/dbraw/zinc/80/57/10/949805710.db2.gz VTXFHQNXTCWDRK-ZJUUUORDSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001574481811 949805737 /nfs/dbraw/zinc/80/57/37/949805737.db2.gz VTXFHQNXTCWDRK-ZJUUUORDSA-N -1 1 384.366 1.282 20 0 GDADMM CC1(C(=O)NC2CCC(Nc3ccc(-c4nnn[n-]4)nn3)CC2)CC(F)(F)C1 ZINC001575561547 949809312 /nfs/dbraw/zinc/80/93/12/949809312.db2.gz BDZRFVXERIPINZ-UHFFFAOYSA-N -1 1 392.414 1.931 20 0 GDADMM CC1(C(=O)NC2CCC(Nc3ccc(-c4nn[n-]n4)nn3)CC2)CC(F)(F)C1 ZINC001575561547 949809333 /nfs/dbraw/zinc/80/93/33/949809333.db2.gz BDZRFVXERIPINZ-UHFFFAOYSA-N -1 1 392.414 1.931 20 0 GDADMM CC1(C(=O)N[C@@H]2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CC(F)(F)C1 ZINC001575561602 949811565 /nfs/dbraw/zinc/81/15/65/949811565.db2.gz BMVTWIJMOLVHHL-GHMZBOCLSA-N -1 1 392.414 1.931 20 0 GDADMM CC1(C(=O)N[C@@H]2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CC(F)(F)C1 ZINC001575561602 949811581 /nfs/dbraw/zinc/81/15/81/949811581.db2.gz BMVTWIJMOLVHHL-GHMZBOCLSA-N -1 1 392.414 1.931 20 0 GDADMM CC1(C(=O)N[C@H]2CC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CC(F)(F)C1 ZINC001575561909 949816947 /nfs/dbraw/zinc/81/69/47/949816947.db2.gz DKTBTXVKUNCKHY-MNOVXSKESA-N -1 1 392.414 1.789 20 0 GDADMM CC1(C(=O)N[C@H]2CC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CC(F)(F)C1 ZINC001575561909 949816965 /nfs/dbraw/zinc/81/69/65/949816965.db2.gz DKTBTXVKUNCKHY-MNOVXSKESA-N -1 1 392.414 1.789 20 0 GDADMM CC(C)C[C@H](C)CC(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001574139965 949824510 /nfs/dbraw/zinc/82/45/10/949824510.db2.gz MEKDONUFLDOMOQ-ZQDZILKHSA-N -1 1 384.488 1.527 20 0 GDADMM CC(C)C[C@H](C)CC(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001574139965 949824532 /nfs/dbraw/zinc/82/45/32/949824532.db2.gz MEKDONUFLDOMOQ-ZQDZILKHSA-N -1 1 384.488 1.527 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1 ZINC001574483888 949841936 /nfs/dbraw/zinc/84/19/36/949841936.db2.gz OJMICBYVOVJQBZ-ZFWWWQNUSA-N -1 1 378.440 1.863 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1 ZINC001574483888 949841957 /nfs/dbraw/zinc/84/19/57/949841957.db2.gz OJMICBYVOVJQBZ-ZFWWWQNUSA-N -1 1 378.440 1.863 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1 ZINC001574141295 949848043 /nfs/dbraw/zinc/84/80/43/949848043.db2.gz SPNPGQBBHZFATK-XOUADPBQSA-N -1 1 384.488 1.955 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1 ZINC001574141295 949848060 /nfs/dbraw/zinc/84/80/60/949848060.db2.gz SPNPGQBBHZFATK-XOUADPBQSA-N -1 1 384.488 1.955 20 0 GDADMM CC(C)(C)C1CC(C(=O)NC2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001573824581 949852397 /nfs/dbraw/zinc/85/23/97/949852397.db2.gz HIGBQQFIJACHMR-UHFFFAOYSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C(=O)N[C@H]2CC[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)CCOCC1 ZINC001575564566 949857467 /nfs/dbraw/zinc/85/74/67/949857467.db2.gz QKZFDADOOUMJCO-OLZOCXBDSA-N -1 1 386.460 1.170 20 0 GDADMM CC1(C(=O)N[C@H]2CC[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)CCOCC1 ZINC001575564566 949857491 /nfs/dbraw/zinc/85/74/91/949857491.db2.gz QKZFDADOOUMJCO-OLZOCXBDSA-N -1 1 386.460 1.170 20 0 GDADMM CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573825246 949866640 /nfs/dbraw/zinc/86/66/40/949866640.db2.gz OEINGENAELDVQW-NKWVEPMBSA-N -1 1 389.869 1.256 20 0 GDADMM CC(C)(C)C12CC(C(=O)N3CCN(c4ccc(-c5nnn[n-]5)nn4)CC3)(C1)C2 ZINC001573825479 949884088 /nfs/dbraw/zinc/88/40/88/949884088.db2.gz XKWSVLUIOHPVMG-UHFFFAOYSA-N -1 1 382.472 1.522 20 0 GDADMM CC(C)(C)C12CC(C(=O)N3CCN(c4ccc(-c5nn[n-]n5)nn4)CC3)(C1)C2 ZINC001573825479 949884108 /nfs/dbraw/zinc/88/41/08/949884108.db2.gz XKWSVLUIOHPVMG-UHFFFAOYSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001574484456 949884602 /nfs/dbraw/zinc/88/46/02/949884602.db2.gz HCPQQKAMSCRRNS-WQVCFCJDSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001574484456 949884625 /nfs/dbraw/zinc/88/46/25/949884625.db2.gz HCPQQKAMSCRRNS-WQVCFCJDSA-N -1 1 382.472 1.663 20 0 GDADMM CC1(C(=O)N[C@H]2CC[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)CC(F)(F)C1 ZINC001575565749 949888001 /nfs/dbraw/zinc/88/80/01/949888001.db2.gz XZAUULKWJIOAIM-MNOVXSKESA-N -1 1 392.414 1.789 20 0 GDADMM CC1(C(=O)N[C@H]2CC[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)CC(F)(F)C1 ZINC001575565749 949888011 /nfs/dbraw/zinc/88/80/11/949888011.db2.gz XZAUULKWJIOAIM-MNOVXSKESA-N -1 1 392.414 1.789 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1)n1cccc1 ZINC001574484792 949904456 /nfs/dbraw/zinc/90/44/56/949904456.db2.gz OIOXEKVBWYGAFY-KGLIPLIRSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1)n1cccc1 ZINC001574484792 949904479 /nfs/dbraw/zinc/90/44/79/949904479.db2.gz OIOXEKVBWYGAFY-KGLIPLIRSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1)n1cccc1 ZINC001574484894 949908276 /nfs/dbraw/zinc/90/82/76/949908276.db2.gz RAMBTOYFQCNGKY-ZIAGYGMSSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1)n1cccc1 ZINC001574484894 949908302 /nfs/dbraw/zinc/90/83/02/949908302.db2.gz RAMBTOYFQCNGKY-ZIAGYGMSSA-N -1 1 381.444 1.512 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574144532 949913636 /nfs/dbraw/zinc/91/36/36/949913636.db2.gz OPBOCVWVKQWDLI-CQSZACIVSA-N -1 1 388.476 1.147 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574144532 949913649 /nfs/dbraw/zinc/91/36/49/949913649.db2.gz OPBOCVWVKQWDLI-CQSZACIVSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@H](CC(=O)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1)c1ccco1 ZINC001574484963 949915235 /nfs/dbraw/zinc/91/52/35/949915235.db2.gz SMRMHDWUNOGYTA-CYBMUJFWSA-N -1 1 382.428 1.482 20 0 GDADMM C[C@H](CC(=O)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1)c1ccco1 ZINC001574484963 949915246 /nfs/dbraw/zinc/91/52/46/949915246.db2.gz SMRMHDWUNOGYTA-CYBMUJFWSA-N -1 1 382.428 1.482 20 0 GDADMM C[C@H]1CCN(C(=O)C2(CCF)CC2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576179631 949923937 /nfs/dbraw/zinc/92/39/37/949923937.db2.gz BHJGYHLUDXILHH-STQMWFEESA-N -1 1 388.451 1.693 20 0 GDADMM C[C@H]1CCN(C(=O)C2(CCF)CC2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576179631 949923968 /nfs/dbraw/zinc/92/39/68/949923968.db2.gz BHJGYHLUDXILHH-STQMWFEESA-N -1 1 388.451 1.693 20 0 GDADMM C[C@@H](CC(=O)N1CCCC[C@@H]1CN(C)c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001574485662 949926954 /nfs/dbraw/zinc/92/69/54/949926954.db2.gz YPKHEUYNBXAVTJ-DZGCQCFKSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](CC(=O)N1CCCC[C@@H]1CN(C)c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001574485662 949926963 /nfs/dbraw/zinc/92/69/63/949926963.db2.gz YPKHEUYNBXAVTJ-DZGCQCFKSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001574488017 949937514 /nfs/dbraw/zinc/93/75/14/949937514.db2.gz BYYYPZRPDHIDNS-FXPVBKGRSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574488017 949937545 /nfs/dbraw/zinc/93/75/45/949937545.db2.gz BYYYPZRPDHIDNS-FXPVBKGRSA-N -1 1 384.366 1.504 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574146073 949937590 /nfs/dbraw/zinc/93/75/90/949937590.db2.gz WWMXGOLEVKJFQU-UONOGXRCSA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574146073 949937614 /nfs/dbraw/zinc/93/76/14/949937614.db2.gz WWMXGOLEVKJFQU-UONOGXRCSA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574146078 949937992 /nfs/dbraw/zinc/93/79/92/949937992.db2.gz WZIPSQIYMUSXFG-KGLIPLIRSA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574146078 949938011 /nfs/dbraw/zinc/93/80/11/949938011.db2.gz WZIPSQIYMUSXFG-KGLIPLIRSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H]1CCN(C(=O)CC(C)(F)F)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576180187 949946688 /nfs/dbraw/zinc/94/66/88/949946688.db2.gz CQMAGINBWTUKRN-WDEREUQCSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H]1CCN(C(=O)CC(C)(F)F)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576180187 949946717 /nfs/dbraw/zinc/94/67/17/949946717.db2.gz CQMAGINBWTUKRN-WDEREUQCSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H](CC(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)n1cccc1 ZINC001574489682 949967561 /nfs/dbraw/zinc/96/75/61/949967561.db2.gz KQOQYPOTBACLOQ-JSGCOSHPSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](CC(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)n1cccc1 ZINC001574489682 949967584 /nfs/dbraw/zinc/96/75/84/949967584.db2.gz KQOQYPOTBACLOQ-JSGCOSHPSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H]1CCN(C(=O)C2(CCF)CC2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576180883 949975048 /nfs/dbraw/zinc/97/50/48/949975048.db2.gz FXSCSHDRBUPMPP-QWHCGFSZSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@H]1CCN(C(=O)C2(CCF)CC2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576180883 949975071 /nfs/dbraw/zinc/97/50/71/949975071.db2.gz FXSCSHDRBUPMPP-QWHCGFSZSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2ccc(F)s2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575891100 949985435 /nfs/dbraw/zinc/98/54/35/949985435.db2.gz DXVXIHWOAQTVFN-UWVGGRQHSA-N -1 1 388.432 1.645 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2ccc(F)s2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575891100 949985454 /nfs/dbraw/zinc/98/54/54/949985454.db2.gz DXVXIHWOAQTVFN-UWVGGRQHSA-N -1 1 388.432 1.645 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ccc(F)s2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575891102 949985948 /nfs/dbraw/zinc/98/59/48/949985948.db2.gz DXVXIHWOAQTVFN-ZJUUUORDSA-N -1 1 388.432 1.645 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ccc(F)s2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575891102 949985970 /nfs/dbraw/zinc/98/59/70/949985970.db2.gz DXVXIHWOAQTVFN-ZJUUUORDSA-N -1 1 388.432 1.645 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(C(F)F)CC2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576181077 949989443 /nfs/dbraw/zinc/98/94/43/949989443.db2.gz SAPHJJSBPKJYRA-MNOVXSKESA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(C(F)F)CC2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576181077 949989467 /nfs/dbraw/zinc/98/94/67/949989467.db2.gz SAPHJJSBPKJYRA-MNOVXSKESA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cnco2)[C@@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001576181322 949994667 /nfs/dbraw/zinc/99/46/67/949994667.db2.gz LTDLDONRWLFJEV-WCQYABFASA-N -1 1 383.416 1.388 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cnco2)[C@@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001576181322 949994681 /nfs/dbraw/zinc/99/46/81/949994681.db2.gz LTDLDONRWLFJEV-WCQYABFASA-N -1 1 383.416 1.388 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cnco2)[C@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001576181316 949994767 /nfs/dbraw/zinc/99/47/67/949994767.db2.gz LTDLDONRWLFJEV-AAEUAGOBSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cnco2)[C@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001576181316 949994788 /nfs/dbraw/zinc/99/47/88/949994788.db2.gz LTDLDONRWLFJEV-AAEUAGOBSA-N -1 1 383.416 1.388 20 0 GDADMM CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001573833668 950004507 /nfs/dbraw/zinc/00/45/07/950004507.db2.gz BJEUPAMZVHIAIH-LLVKDONJSA-N -1 1 394.526 1.882 20 0 GDADMM CC1(C(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CC2(C)C)CC(F)(F)C1 ZINC001575573991 950008365 /nfs/dbraw/zinc/00/83/65/950008365.db2.gz QSZUEDKRUGTZOY-LLVKDONJSA-N -1 1 392.414 1.423 20 0 GDADMM CC1(C(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CC2(C)C)CC(F)(F)C1 ZINC001575573991 950008387 /nfs/dbraw/zinc/00/83/87/950008387.db2.gz QSZUEDKRUGTZOY-LLVKDONJSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@H]1CCN(C(=O)CC2CCCC2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576181664 950010399 /nfs/dbraw/zinc/01/03/99/950010399.db2.gz IQOJFDNFTVFHPR-ZFWWWQNUSA-N -1 1 384.488 1.555 20 0 GDADMM C[C@@H]1CCN(C(=O)C2CC(C)(C)C2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576181702 950018750 /nfs/dbraw/zinc/01/87/50/950018750.db2.gz JDPXVEJIAAEPOT-TZMCWYRMSA-N -1 1 384.488 1.411 20 0 GDADMM C[C@H](CC(=O)N1C[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1)C1CC1 ZINC001574490794 950019551 /nfs/dbraw/zinc/01/95/51/950019551.db2.gz ZFBFBRONMMOVLE-YUELXQCFSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H](CC(=O)N[C@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001574491158 950023499 /nfs/dbraw/zinc/02/34/99/950023499.db2.gz AGKCSHOJUNFINZ-FZKQIMNGSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](CC(=O)N[C@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001574491158 950023526 /nfs/dbraw/zinc/02/35/26/950023526.db2.gz AGKCSHOJUNFINZ-FZKQIMNGSA-N -1 1 381.444 1.195 20 0 GDADMM CC1(C(=O)NC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)c2ccccc2)CCC1 ZINC001575574769 950026295 /nfs/dbraw/zinc/02/62/95/950026295.db2.gz YPTZJMQITFVDEG-CQSZACIVSA-N -1 1 378.440 1.538 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ccon1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574730888 950035644 /nfs/dbraw/zinc/03/56/44/950035644.db2.gz SKYNAQLMLOTHEW-ZETCQYMHSA-N -1 1 382.837 1.466 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ccc(Cl)s1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574730920 950042601 /nfs/dbraw/zinc/04/26/01/950042601.db2.gz SUESTHCROPTCLQ-VIFPVBQESA-N -1 1 392.876 1.873 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ccc(Cl)s1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574730920 950042626 /nfs/dbraw/zinc/04/26/26/950042626.db2.gz SUESTHCROPTCLQ-VIFPVBQESA-N -1 1 392.876 1.873 20 0 GDADMM C[C@@H](CC(=O)NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1)CC(C)(C)C ZINC001574491966 950048823 /nfs/dbraw/zinc/04/88/23/950048823.db2.gz HWEVHTZSCGPWAA-HSBZDZAISA-N -1 1 386.504 1.848 20 0 GDADMM C[C@H]1CCCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC001576182404 950051533 /nfs/dbraw/zinc/05/15/33/950051533.db2.gz ZMSPMFBXMGHOJO-STQMWFEESA-N -1 1 384.444 1.840 20 0 GDADMM C[C@H]1CCCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC001576182404 950051557 /nfs/dbraw/zinc/05/15/57/950051557.db2.gz ZMSPMFBXMGHOJO-STQMWFEESA-N -1 1 384.444 1.840 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1cc(C2CC2)no1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574731523 950054733 /nfs/dbraw/zinc/05/47/33/950054733.db2.gz WHWKPKUNVKOLEZ-JTQLQIEISA-N -1 1 383.416 1.024 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1cc(C2CC2)no1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574731523 950054759 /nfs/dbraw/zinc/05/47/59/950054759.db2.gz WHWKPKUNVKOLEZ-JTQLQIEISA-N -1 1 383.416 1.024 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574491986 950057833 /nfs/dbraw/zinc/05/78/33/950057833.db2.gz HYALNMGSNXCBNK-UKRRQHHQSA-N -1 1 378.440 1.545 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2cccc(F)c2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575892262 950063728 /nfs/dbraw/zinc/06/37/28/950063728.db2.gz UZZGLVDKIWLWKE-RISCZKNCSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2cccc(F)c2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575892262 950063750 /nfs/dbraw/zinc/06/37/50/950063750.db2.gz UZZGLVDKIWLWKE-RISCZKNCSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@H]1CCN(C(=O)Cc2ccccc2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576183298 950082953 /nfs/dbraw/zinc/08/29/53/950082953.db2.gz PCNRETRGRVZQNG-HOCLYGCPSA-N -1 1 392.467 1.796 20 0 GDADMM C[C@H]1CCN(C(=O)Cc2ccccc2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576183298 950082977 /nfs/dbraw/zinc/08/29/77/950082977.db2.gz PCNRETRGRVZQNG-HOCLYGCPSA-N -1 1 392.467 1.796 20 0 GDADMM C[C@H](CC(=O)N[C@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2)C1CC1 ZINC001574492477 950086633 /nfs/dbraw/zinc/08/66/33/950086633.db2.gz NFZJTAIJBPHYPR-PEELUZDISA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H](CC(=O)N[C@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2)C1CC1 ZINC001574492477 950086655 /nfs/dbraw/zinc/08/66/55/950086655.db2.gz NFZJTAIJBPHYPR-PEELUZDISA-N -1 1 382.472 1.711 20 0 GDADMM C[C@@H](CC(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C(F)(F)F ZINC001574492507 950086905 /nfs/dbraw/zinc/08/69/05/950086905.db2.gz NOFUYEWIOYICJJ-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](CC(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C(F)(F)F ZINC001574492507 950086931 /nfs/dbraw/zinc/08/69/31/950086931.db2.gz NOFUYEWIOYICJJ-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)C1CCCCC1 ZINC001574492696 950098348 /nfs/dbraw/zinc/09/83/48/950098348.db2.gz OQHBCQROJXGTJT-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)C1CCCCC1 ZINC001574492696 950098375 /nfs/dbraw/zinc/09/83/75/950098375.db2.gz OQHBCQROJXGTJT-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccoc2)[C@@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001576184039 950115585 /nfs/dbraw/zinc/11/55/85/950115585.db2.gz VKLLHJYEJPYRDD-GXTWGEPZSA-N -1 1 382.428 1.993 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccoc2)[C@@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001576184039 950115594 /nfs/dbraw/zinc/11/55/94/950115594.db2.gz VKLLHJYEJPYRDD-GXTWGEPZSA-N -1 1 382.428 1.993 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](CO)Nc1nccnc1-c1nnn[n-]1)C1CCCCC1 ZINC001574493853 950142662 /nfs/dbraw/zinc/14/26/62/950142662.db2.gz IGFOSDHWCIWKPV-OCCSQVGLSA-N -1 1 388.476 1.152 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](CO)Nc1nccnc1-c1nn[n-]n1)C1CCCCC1 ZINC001574493853 950142670 /nfs/dbraw/zinc/14/26/70/950142670.db2.gz IGFOSDHWCIWKPV-OCCSQVGLSA-N -1 1 388.476 1.152 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2ccoc2Cl)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575898151 950148621 /nfs/dbraw/zinc/14/86/21/950148621.db2.gz QSPMKFSZZZAZCT-GXSJLCMTSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2ccoc2Cl)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575898151 950148633 /nfs/dbraw/zinc/14/86/33/950148633.db2.gz QSPMKFSZZZAZCT-GXSJLCMTSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cccnc2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576185121 950158466 /nfs/dbraw/zinc/15/84/66/950158466.db2.gz ZJMGCPXRTOLWED-IUODEOHRSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cccnc2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576185121 950158482 /nfs/dbraw/zinc/15/84/82/950158482.db2.gz ZJMGCPXRTOLWED-IUODEOHRSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@H](CNC(=O)C[C@H](C)c1ccccc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574494298 950159505 /nfs/dbraw/zinc/15/95/05/950159505.db2.gz JWAJKOJQYCTWMP-UONOGXRCSA-N -1 1 380.456 1.791 20 0 GDADMM C[C@H](CNC(=O)C[C@H](C)c1ccccc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574494298 950159516 /nfs/dbraw/zinc/15/95/16/950159516.db2.gz JWAJKOJQYCTWMP-UONOGXRCSA-N -1 1 380.456 1.791 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2sccc2F)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575900137 950190414 /nfs/dbraw/zinc/19/04/14/950190414.db2.gz CORCSLPMQGKJDN-MWLCHTKSSA-N -1 1 388.432 1.645 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2sccc2F)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575900137 950190421 /nfs/dbraw/zinc/19/04/21/950190421.db2.gz CORCSLPMQGKJDN-MWLCHTKSSA-N -1 1 388.432 1.645 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cccs2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576191331 950191154 /nfs/dbraw/zinc/19/11/54/950191154.db2.gz FADWPZPQTCGDFM-VXGBXAGGSA-N -1 1 384.469 1.929 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cccs2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576191331 950191175 /nfs/dbraw/zinc/19/11/75/950191175.db2.gz FADWPZPQTCGDFM-VXGBXAGGSA-N -1 1 384.469 1.929 20 0 GDADMM C[C@@]1(C(=O)NC[C@@H]2[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)CC=CCC1 ZINC001575585470 950193315 /nfs/dbraw/zinc/19/33/15/950193315.db2.gz ZWURDIANEVBSKJ-VYGYDYRJSA-N -1 1 380.456 1.202 20 0 GDADMM C[C@@]1(C(=O)NC[C@@H]2[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)CC=CCC1 ZINC001575585470 950193332 /nfs/dbraw/zinc/19/33/32/950193332.db2.gz ZWURDIANEVBSKJ-VYGYDYRJSA-N -1 1 380.456 1.202 20 0 GDADMM C[C@@H](CN(C)C(=O)c1[nH]cnc1C(C)(C)C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574740004 950217837 /nfs/dbraw/zinc/21/78/37/950217837.db2.gz AVVFADQDKIOCQR-JTQLQIEISA-N -1 1 384.448 1.250 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)CC1(C)C)C1CC1 ZINC001574497035 950223817 /nfs/dbraw/zinc/22/38/17/950223817.db2.gz YIVSLIRZSVBQSC-OCCSQVGLSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)CC1(C)C)C1CC1 ZINC001574497035 950223833 /nfs/dbraw/zinc/22/38/33/950223833.db2.gz YIVSLIRZSVBQSC-OCCSQVGLSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@]1(C)CCCOC1 ZINC001574156150 950228695 /nfs/dbraw/zinc/22/86/95/950228695.db2.gz XPXAZQZUAOJVOI-SCLBCKFNSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@]1(C)CCCOC1 ZINC001574156150 950228709 /nfs/dbraw/zinc/22/87/09/950228709.db2.gz XPXAZQZUAOJVOI-SCLBCKFNSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCC1)[C@@H]1CCCO1 ZINC001574497860 950246266 /nfs/dbraw/zinc/24/62/66/950246266.db2.gz FHIOTTLZJPRLEO-JSGCOSHPSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCC1)[C@@H]1CCCO1 ZINC001574497860 950246286 /nfs/dbraw/zinc/24/62/86/950246286.db2.gz FHIOTTLZJPRLEO-JSGCOSHPSA-N -1 1 386.460 1.313 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@]1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573846670 950249160 /nfs/dbraw/zinc/24/91/60/950249160.db2.gz UHVDCHWYOOHCFZ-QUJCMNEKSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573846543 950250920 /nfs/dbraw/zinc/25/09/20/950250920.db2.gz SOMJODLUOCDHNB-QUJCMNEKSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573846543 950250936 /nfs/dbraw/zinc/25/09/36/950250936.db2.gz SOMJODLUOCDHNB-QUJCMNEKSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2ncccc2[O-])CCCN1c1ccc(-c2nn[nH]n2)nc1 ZINC001575902503 950263499 /nfs/dbraw/zinc/26/34/99/950263499.db2.gz VVJWARCDEYKWBM-WCQYABFASA-N -1 1 380.412 1.150 20 0 GDADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccccc1F ZINC001574158025 950266604 /nfs/dbraw/zinc/26/66/04/950266604.db2.gz NADBKKBDADRLFR-LBPRGKRZSA-N -1 1 384.419 1.474 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C1C=CC=CC=C1 ZINC001574158504 950283463 /nfs/dbraw/zinc/28/34/63/950283463.db2.gz BUUBMFYZNDPCDF-OAHLLOKOSA-N -1 1 380.456 1.898 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C1C=CC=CC=C1 ZINC001574158504 950283478 /nfs/dbraw/zinc/28/34/78/950283478.db2.gz BUUBMFYZNDPCDF-OAHLLOKOSA-N -1 1 380.456 1.898 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cncc(F)c1 ZINC001574158532 950284139 /nfs/dbraw/zinc/28/41/39/950284139.db2.gz CDTQEDKVKZGEAJ-CYBMUJFWSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cncc(F)c1 ZINC001574158532 950284161 /nfs/dbraw/zinc/28/41/61/950284161.db2.gz CDTQEDKVKZGEAJ-CYBMUJFWSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@H]([C@@H](F)C(=O)Nc2n[nH]cc2-c2nnn[n-]2)C1 ZINC001573852375 950305521 /nfs/dbraw/zinc/30/55/21/950305521.db2.gz GFCOPKMNPLLYLZ-WCBMZHEXSA-N -1 1 380.384 1.123 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@H]([C@@H](F)C(=O)Nc2n[nH]cc2-c2nn[n-]n2)C1 ZINC001573852375 950305545 /nfs/dbraw/zinc/30/55/45/950305545.db2.gz GFCOPKMNPLLYLZ-WCBMZHEXSA-N -1 1 380.384 1.123 20 0 GDADMM CC(C)(C)OC(=O)N(CCO)[C@@H]1CCCN(c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001573852397 950306597 /nfs/dbraw/zinc/30/65/97/950306597.db2.gz GWUZEIZRQAUSPV-CQSZACIVSA-N -1 1 389.460 1.460 20 0 GDADMM CC(C)(C)OC(=O)N(CCO)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)c2)C1 ZINC001573852397 950306620 /nfs/dbraw/zinc/30/66/20/950306620.db2.gz GWUZEIZRQAUSPV-CQSZACIVSA-N -1 1 389.460 1.460 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001574501275 950327997 /nfs/dbraw/zinc/32/79/97/950327997.db2.gz CKQSECHUXCSXSO-NXEZZACHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccco1 ZINC001574501442 950333242 /nfs/dbraw/zinc/33/32/42/950333242.db2.gz DHERYBGYTUVFRT-STQMWFEESA-N -1 1 382.428 1.386 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574501442 950333261 /nfs/dbraw/zinc/33/32/61/950333261.db2.gz DHERYBGYTUVFRT-STQMWFEESA-N -1 1 382.428 1.386 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cc1ccsc1 ZINC001574160339 950338878 /nfs/dbraw/zinc/33/88/78/950338878.db2.gz NLZQEQMPYBFXFN-ZDUSSCGKSA-N -1 1 386.485 1.904 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cc1ccsc1 ZINC001574160339 950338900 /nfs/dbraw/zinc/33/89/00/950338900.db2.gz NLZQEQMPYBFXFN-ZDUSSCGKSA-N -1 1 386.485 1.904 20 0 GDADMM CC1(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3c2ccnc(-c3nn[n-]n3)n2)CCC1 ZINC001575594730 950341161 /nfs/dbraw/zinc/34/11/61/950341161.db2.gz VWMTTZKTGYJYHV-BTTYYORXSA-N -1 1 382.472 1.711 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCc1ccco1 ZINC001574160555 950341499 /nfs/dbraw/zinc/34/14/99/950341499.db2.gz NYYLIRKNBYVBTC-ZDUSSCGKSA-N -1 1 384.444 1.825 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCc1ccco1 ZINC001574160555 950341519 /nfs/dbraw/zinc/34/15/19/950341519.db2.gz NYYLIRKNBYVBTC-ZDUSSCGKSA-N -1 1 384.444 1.825 20 0 GDADMM C[C@@]1(C(=O)NCCC2(CNc3nccnc3-c3nnn[n-]3)CC2)CCCOC1 ZINC001575595326 950359294 /nfs/dbraw/zinc/35/92/94/950359294.db2.gz OFVCLTPGONVWHF-QGZVFWFLSA-N -1 1 386.460 1.172 20 0 GDADMM C[C@@]1(C(=O)NCCC2(CNc3nccnc3-c3nn[n-]n3)CC2)CCCOC1 ZINC001575595326 950359315 /nfs/dbraw/zinc/35/93/15/950359315.db2.gz OFVCLTPGONVWHF-QGZVFWFLSA-N -1 1 386.460 1.172 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCCCCN1c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001574502243 950362821 /nfs/dbraw/zinc/36/28/21/950362821.db2.gz KXQZGQSFTZKOFH-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCCCCN1c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001574502243 950362850 /nfs/dbraw/zinc/36/28/50/950362850.db2.gz KXQZGQSFTZKOFH-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001574502186 950364215 /nfs/dbraw/zinc/36/42/15/950364215.db2.gz KFWCGVQCOBXEPE-STQMWFEESA-N -1 1 382.428 1.386 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001574502186 950364224 /nfs/dbraw/zinc/36/42/24/950364224.db2.gz KFWCGVQCOBXEPE-STQMWFEESA-N -1 1 382.428 1.386 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001574502168 950367217 /nfs/dbraw/zinc/36/72/17/950367217.db2.gz JZKLLOQCNZKYTF-UWVGGRQHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001574502168 950367237 /nfs/dbraw/zinc/36/72/37/950367237.db2.gz JZKLLOQCNZKYTF-UWVGGRQHSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H](C)C(F)(F)F ZINC001574161839 950368641 /nfs/dbraw/zinc/36/86/41/950368641.db2.gz YEEMCTVWEHOYCG-ZJUUUORDSA-N -1 1 386.382 1.798 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)C(F)(F)F ZINC001574161839 950368658 /nfs/dbraw/zinc/36/86/58/950368658.db2.gz YEEMCTVWEHOYCG-ZJUUUORDSA-N -1 1 386.382 1.798 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C1(C)CCOCC1 ZINC001574162526 950383198 /nfs/dbraw/zinc/38/31/98/950383198.db2.gz CIZAEFXOAYHZBV-ZDUSSCGKSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C1(C)CCOCC1 ZINC001574162526 950383216 /nfs/dbraw/zinc/38/32/16/950383216.db2.gz CIZAEFXOAYHZBV-ZDUSSCGKSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@@](C)(O)C1CC1 ZINC001574162616 950389582 /nfs/dbraw/zinc/38/95/82/950389582.db2.gz FLQCMVUNSNUXQM-FZKQIMNGSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@@](C)(O)C1CC1 ZINC001574162616 950389599 /nfs/dbraw/zinc/38/95/99/950389599.db2.gz FLQCMVUNSNUXQM-FZKQIMNGSA-N -1 1 388.476 1.151 20 0 GDADMM CC1(C(=O)NC[C@H]2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)CC(F)(F)C1 ZINC001575596956 950395245 /nfs/dbraw/zinc/39/52/45/950395245.db2.gz KDMQVPHFVOZARL-AOOOYVTPSA-N -1 1 378.387 1.399 20 0 GDADMM CC1(C(=O)NC[C@H]2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)CC(F)(F)C1 ZINC001575596956 950395275 /nfs/dbraw/zinc/39/52/75/950395275.db2.gz KDMQVPHFVOZARL-AOOOYVTPSA-N -1 1 378.387 1.399 20 0 GDADMM CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)c3cccc(-c4nnn[n-]4)n3)[C@@H]2C1 ZINC001573857017 950397359 /nfs/dbraw/zinc/39/73/59/950397359.db2.gz KVJXCBPOCDFCJJ-SMDDNHRTSA-N -1 1 385.428 1.343 20 0 GDADMM CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)c3cccc(-c4nn[n-]n4)n3)[C@@H]2C1 ZINC001573857017 950397374 /nfs/dbraw/zinc/39/73/74/950397374.db2.gz KVJXCBPOCDFCJJ-SMDDNHRTSA-N -1 1 385.428 1.343 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cncc(F)c1 ZINC001574162907 950410440 /nfs/dbraw/zinc/41/04/40/950410440.db2.gz MJVIRTZFESNCMV-ZDUSSCGKSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cncc(F)c1 ZINC001574162907 950410459 /nfs/dbraw/zinc/41/04/59/950410459.db2.gz MJVIRTZFESNCMV-ZDUSSCGKSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3coc(-c4nnn[n-]4)c3)C[C@@H]2C1 ZINC001573857731 950411593 /nfs/dbraw/zinc/41/15/93/950411593.db2.gz YHGQZZVOOCINSV-YPMHNXCESA-N -1 1 388.428 1.789 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3coc(-c4nn[n-]n4)c3)C[C@@H]2C1 ZINC001573857731 950411601 /nfs/dbraw/zinc/41/16/01/950411601.db2.gz YHGQZZVOOCINSV-YPMHNXCESA-N -1 1 388.428 1.789 20 0 GDADMM CC(C)CC1(C(=O)N(C)[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CCC1 ZINC001574163175 950416741 /nfs/dbraw/zinc/41/67/41/950416741.db2.gz QMFFVJPUQHUKOD-AWEZNQCLSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CC1(C(=O)N(C)[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CCC1 ZINC001574163175 950416751 /nfs/dbraw/zinc/41/67/51/950416751.db2.gz QMFFVJPUQHUKOD-AWEZNQCLSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)(C)OC(=O)NC[C@H](C(=O)Nc1n[nH]cc1-c1nnn[n-]1)c1ccccc1 ZINC001573860670 950425346 /nfs/dbraw/zinc/42/53/46/950425346.db2.gz LPTHUOHXKFAWSA-LBPRGKRZSA-N -1 1 398.427 1.837 20 0 GDADMM CC(C)(C)OC(=O)NC[C@H](C(=O)Nc1n[nH]cc1-c1nn[n-]n1)c1ccccc1 ZINC001573860670 950425361 /nfs/dbraw/zinc/42/53/61/950425361.db2.gz LPTHUOHXKFAWSA-LBPRGKRZSA-N -1 1 398.427 1.837 20 0 GDADMM CC1(C(=O)NCc2ccc3c(c2)CN(c2ccc(-c4nnn[n-]4)nn2)C3)CC1 ZINC001575599622 950433643 /nfs/dbraw/zinc/43/36/43/950433643.db2.gz NOEDHUMAOOKNAB-UHFFFAOYSA-N -1 1 376.424 1.593 20 0 GDADMM CC1(C(=O)NCc2ccc3c(c2)CN(c2ccc(-c4nn[n-]n4)nn2)C3)CC1 ZINC001575599622 950433672 /nfs/dbraw/zinc/43/36/72/950433672.db2.gz NOEDHUMAOOKNAB-UHFFFAOYSA-N -1 1 376.424 1.593 20 0 GDADMM C[C@H](CC(=O)N[C@@H](C)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C1CC1 ZINC001574506474 950435664 /nfs/dbraw/zinc/43/56/64/950435664.db2.gz FHLCCWUUSQKESN-OLZOCXBDSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](CC(=O)N[C@@H](C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001574506474 950435682 /nfs/dbraw/zinc/43/56/82/950435682.db2.gz FHLCCWUUSQKESN-OLZOCXBDSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)[C@@H]1CCCO1 ZINC001574506461 950436545 /nfs/dbraw/zinc/43/65/45/950436545.db2.gz DXBKVYPIICIRKV-ABHRYQDASA-N -1 1 386.460 1.169 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)[C@@H]1CCCO1 ZINC001574506461 950436562 /nfs/dbraw/zinc/43/65/62/950436562.db2.gz DXBKVYPIICIRKV-ABHRYQDASA-N -1 1 386.460 1.169 20 0 GDADMM C[C@H](CC(=O)NCCN(c1nccnc1-c1nnn[n-]1)C1CC1)C(F)(F)F ZINC001574506616 950439062 /nfs/dbraw/zinc/43/90/62/950439062.db2.gz ATKGBBBDPAPADX-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](CC(=O)NCCN(c1nccnc1-c1nn[n-]n1)C1CC1)C(F)(F)F ZINC001574506616 950439075 /nfs/dbraw/zinc/43/90/75/950439075.db2.gz ATKGBBBDPAPADX-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@]1(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)CCCN1C(=O)c1ccccc1 ZINC001575600476 950439518 /nfs/dbraw/zinc/43/95/18/950439518.db2.gz YTUZUDQQVWQQHW-HXUWFJFHSA-N -1 1 391.435 1.573 20 0 GDADMM C[C@]1(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)CCCN1C(=O)c1ccccc1 ZINC001575600476 950439535 /nfs/dbraw/zinc/43/95/35/950439535.db2.gz YTUZUDQQVWQQHW-HXUWFJFHSA-N -1 1 391.435 1.573 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CC(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001573861107 950441466 /nfs/dbraw/zinc/44/14/66/950441466.db2.gz TZACZMZYQOGZCK-GXSJLCMTSA-N -1 1 376.421 1.612 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CC(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001573861107 950441478 /nfs/dbraw/zinc/44/14/78/950441478.db2.gz TZACZMZYQOGZCK-GXSJLCMTSA-N -1 1 376.421 1.612 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001574507494 950460916 /nfs/dbraw/zinc/46/09/16/950460916.db2.gz JRLQJRLWORKCAA-RWMBFGLXSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001574507494 950460925 /nfs/dbraw/zinc/46/09/25/950460925.db2.gz JRLQJRLWORKCAA-RWMBFGLXSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@]1(C(=O)N[C@H]2CC[C@H](Nc3nccnc3-c3nnn[n-]3)CC2)CCCOC1 ZINC001575605742 950482164 /nfs/dbraw/zinc/48/21/64/950482164.db2.gz RRESDLJQOQWULU-LXIYXOSZSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@]1(C(=O)N[C@H]2CC[C@H](Nc3nccnc3-c3nn[n-]n3)CC2)CCCOC1 ZINC001575605742 950482183 /nfs/dbraw/zinc/48/21/83/950482183.db2.gz RRESDLJQOQWULU-LXIYXOSZSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc(Cl)cc1F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574752940 950503418 /nfs/dbraw/zinc/50/34/18/950503418.db2.gz GOPPNKFZXQYBNA-VIFPVBQESA-N -1 1 390.810 1.444 20 0 GDADMM C[C@H](CC(=O)NCC[C@H](C)Nc1cncc(-c2nnn[n-]2)n1)c1ccncc1 ZINC001574509321 950504676 /nfs/dbraw/zinc/50/46/76/950504676.db2.gz QPZFDYOCIGMTSB-OLZOCXBDSA-N -1 1 381.444 1.552 20 0 GDADMM C[C@H](CC(=O)NCC[C@H](C)Nc1cncc(-c2nn[n-]n2)n1)c1ccncc1 ZINC001574509321 950504707 /nfs/dbraw/zinc/50/47/07/950504707.db2.gz QPZFDYOCIGMTSB-OLZOCXBDSA-N -1 1 381.444 1.552 20 0 GDADMM CC(C)CC1(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)[C@@H]2C)CCC1 ZINC001574168509 950518783 /nfs/dbraw/zinc/51/87/83/950518783.db2.gz WTZGKFFVSJRLPH-KGLIPLIRSA-N -1 1 384.488 1.957 20 0 GDADMM CC(C)(C)OCC(=O)N1CC[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573866937 950521277 /nfs/dbraw/zinc/52/12/77/950521277.db2.gz OBSYGFCASZCEGX-MRVPVSSYSA-N -1 1 385.881 1.805 20 0 GDADMM CC(C)(C)OCC(=O)N1CC[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573866937 950521289 /nfs/dbraw/zinc/52/12/89/950521289.db2.gz OBSYGFCASZCEGX-MRVPVSSYSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc(N(C)C)cc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574753800 950546663 /nfs/dbraw/zinc/54/66/63/950546663.db2.gz SPMCJRFZWNDUFH-GFCCVEGCSA-N -1 1 381.444 1.295 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc(N(C)C)cc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574753800 950546681 /nfs/dbraw/zinc/54/66/81/950546681.db2.gz SPMCJRFZWNDUFH-GFCCVEGCSA-N -1 1 381.444 1.295 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc(C(F)F)o1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574754058 950557682 /nfs/dbraw/zinc/55/76/82/950557682.db2.gz WQNUJIXNRWRPOV-MRVPVSSYSA-N -1 1 378.343 1.760 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc(C(F)F)o1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574754058 950557698 /nfs/dbraw/zinc/55/76/98/950557698.db2.gz WQNUJIXNRWRPOV-MRVPVSSYSA-N -1 1 378.343 1.760 20 0 GDADMM CC1(C)C(C(=O)NCC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1(C)C ZINC001575615619 950569290 /nfs/dbraw/zinc/56/92/90/950569290.db2.gz DIEOLPAJNQAWTJ-GFCCVEGCSA-N -1 1 384.488 1.672 20 0 GDADMM CC1(C)C(C(=O)NCC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1(C)C ZINC001575615619 950569307 /nfs/dbraw/zinc/56/93/07/950569307.db2.gz DIEOLPAJNQAWTJ-GFCCVEGCSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cnc(C2CC2)nc1 ZINC001575918622 950594506 /nfs/dbraw/zinc/59/45/06/950594506.db2.gz DHIJEJLKDYZOGO-GWCFXTLKSA-N -1 1 392.427 1.039 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cnc(C2CC2)nc1 ZINC001575918622 950594517 /nfs/dbraw/zinc/59/45/17/950594517.db2.gz DHIJEJLKDYZOGO-GWCFXTLKSA-N -1 1 392.427 1.039 20 0 GDADMM CC1(C)C(C(=O)NC[C@@H]2CCCCN2c2ccnc(-c3nn[n-]n3)n2)C1(C)C ZINC001575617333 950599986 /nfs/dbraw/zinc/59/99/86/950599986.db2.gz ARRNJZOIWPWNSI-LBPRGKRZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C[C@H](C)c1cccc(F)c1 ZINC001574513364 950606553 /nfs/dbraw/zinc/60/65/53/950606553.db2.gz PRMMUAYMOVVDDZ-NWDGAFQWSA-N -1 1 384.419 1.328 20 0 GDADMM CC(C)(C)OCC(=O)NC[C@H]1CCCCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001573870955 950608256 /nfs/dbraw/zinc/60/82/56/950608256.db2.gz LDXXOASXWRWSDD-CYBMUJFWSA-N -1 1 388.476 1.337 20 0 GDADMM CC(C)(C)OCC(=O)NC[C@H]1CCCCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001573870955 950608269 /nfs/dbraw/zinc/60/82/69/950608269.db2.gz LDXXOASXWRWSDD-CYBMUJFWSA-N -1 1 388.476 1.337 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cccc2c1CCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574758620 950617344 /nfs/dbraw/zinc/61/73/44/950617344.db2.gz FRSXVDXJQYQRKU-LBPRGKRZSA-N -1 1 378.440 1.718 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cccc2c1CCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574758620 950617358 /nfs/dbraw/zinc/61/73/58/950617358.db2.gz FRSXVDXJQYQRKU-LBPRGKRZSA-N -1 1 378.440 1.718 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cccc2c1CCCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574758813 950620950 /nfs/dbraw/zinc/62/09/50/950620950.db2.gz IACXNOKSDLEHAW-ZDUSSCGKSA-N -1 1 392.467 1.530 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cccc2c1CCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574758817 950624264 /nfs/dbraw/zinc/62/42/64/950624264.db2.gz IAZCLQAULKZGPA-LBPRGKRZSA-N -1 1 378.440 1.718 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cccc2c1CCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574758817 950624276 /nfs/dbraw/zinc/62/42/76/950624276.db2.gz IAZCLQAULKZGPA-LBPRGKRZSA-N -1 1 378.440 1.718 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)CC(C)(C)C ZINC001574516420 950638377 /nfs/dbraw/zinc/63/83/77/950638377.db2.gz IFABSDWCCXJYDH-FOCJUVANSA-N -1 1 384.488 1.670 20 0 GDADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(C2CC2)cn1 ZINC001575922227 950646240 /nfs/dbraw/zinc/64/62/40/950646240.db2.gz OXIRFRFINGREBZ-SMDDNHRTSA-N -1 1 391.439 1.066 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573873584 950647742 /nfs/dbraw/zinc/64/77/42/950647742.db2.gz SAVRIMZBJWOELW-JOCQHMNTSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573873584 950647754 /nfs/dbraw/zinc/64/77/54/950647754.db2.gz SAVRIMZBJWOELW-JOCQHMNTSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccncc1 ZINC001574518274 950650241 /nfs/dbraw/zinc/65/02/41/950650241.db2.gz NEOXXFDYSSJTPX-UBHSHLNASA-N -1 1 379.428 1.305 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccncc1 ZINC001574518274 950650258 /nfs/dbraw/zinc/65/02/58/950650258.db2.gz NEOXXFDYSSJTPX-UBHSHLNASA-N -1 1 379.428 1.305 20 0 GDADMM CC(C)(C)O[C@@H]1C[C@H](NS(=O)(=O)c2cccnc2-c2nn[n-]n2)C1(C)C ZINC001573873640 950655078 /nfs/dbraw/zinc/65/50/78/950655078.db2.gz WBBNNNHGVQKMCO-NWDGAFQWSA-N -1 1 380.474 1.522 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)c1ccco1 ZINC001574518429 950656237 /nfs/dbraw/zinc/65/62/37/950656237.db2.gz OZZQPWOVSNKYCJ-JHJVBQTASA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)c1ccco1 ZINC001574518429 950656253 /nfs/dbraw/zinc/65/62/53/950656253.db2.gz OZZQPWOVSNKYCJ-JHJVBQTASA-N -1 1 382.428 1.750 20 0 GDADMM CC1(C)CC(C(=O)N2CC[C@]3(CCN(c4cnc(-c5nnn[n-]5)cn4)C3)C2)C1 ZINC001575624660 950671058 /nfs/dbraw/zinc/67/10/58/950671058.db2.gz LVAGWENSFQCRQA-IBGZPJMESA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)CC(C(=O)N2CC[C@]3(CCN(c4cnc(-c5nn[n-]n5)cn4)C3)C2)C1 ZINC001575624660 950671069 /nfs/dbraw/zinc/67/10/69/950671069.db2.gz LVAGWENSFQCRQA-IBGZPJMESA-N -1 1 382.472 1.522 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573876506 950676899 /nfs/dbraw/zinc/67/68/99/950676899.db2.gz OJEGSXGPLUOBLV-BFHYXJOUSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573876506 950676915 /nfs/dbraw/zinc/67/69/15/950676915.db2.gz OJEGSXGPLUOBLV-BFHYXJOUSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)[C@@H]1CCCO1 ZINC001574519415 950680788 /nfs/dbraw/zinc/68/07/88/950680788.db2.gz VCGFVGLNHRXNGX-ABHRYQDASA-N -1 1 386.460 1.169 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)[C@@H]1CCCO1 ZINC001574519415 950680799 /nfs/dbraw/zinc/68/07/99/950680799.db2.gz VCGFVGLNHRXNGX-ABHRYQDASA-N -1 1 386.460 1.169 20 0 GDADMM C[C@H](CC(=O)N[C@]12CCC[C@H]1CN(c1cnc(-c3nnn[n-]3)cn1)C2)C1CC1 ZINC001574519780 950698931 /nfs/dbraw/zinc/69/89/31/950698931.db2.gz IFBJSSVMXWKNJB-UHYGZKCKSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](CC(=O)N[C@]12CCC[C@H]1CN(c1cnc(-c3nn[n-]n3)cn1)C2)C1CC1 ZINC001574519780 950698947 /nfs/dbraw/zinc/69/89/47/950698947.db2.gz IFBJSSVMXWKNJB-UHYGZKCKSA-N -1 1 382.472 1.568 20 0 GDADMM CC1(C)CC(C(=O)NC2(CNc3ccc(-c4nnn[n-]4)nn3)CCOCC2)C1 ZINC001575628717 950723903 /nfs/dbraw/zinc/72/39/03/950723903.db2.gz FRVXNZHQEULUQE-UHFFFAOYSA-N -1 1 386.460 1.170 20 0 GDADMM CC1(C)CC(C(=O)NC2(CNc3ccc(-c4nn[n-]n4)nn3)CCOCC2)C1 ZINC001575628717 950723919 /nfs/dbraw/zinc/72/39/19/950723919.db2.gz FRVXNZHQEULUQE-UHFFFAOYSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@H](CN(C)C(=O)c1cnn(C)c1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574763593 950724042 /nfs/dbraw/zinc/72/40/42/950724042.db2.gz FXEDCGJPOOVTDL-SSDOTTSWSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@H](CN(C)C(=O)c1cnn(C)c1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574763593 950724054 /nfs/dbraw/zinc/72/40/54/950724054.db2.gz FXEDCGJPOOVTDL-SSDOTTSWSA-N -1 1 381.853 1.283 20 0 GDADMM CC1(C)CC(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2(C)C)C1 ZINC001575629058 950730634 /nfs/dbraw/zinc/73/06/34/950730634.db2.gz JRTUKTBWZPXVGI-CYBMUJFWSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](CC(=O)Nc1c(-c2nn[n-]n2)nnn1Cc1ccccc1)n1cccc1 ZINC001574520434 950730844 /nfs/dbraw/zinc/73/08/44/950730844.db2.gz RTSCDZQVOCTNPF-CYBMUJFWSA-N -1 1 377.412 1.898 20 0 GDADMM CC1(C)CC(C(=O)NC[C@]2(C)CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001575629934 950752397 /nfs/dbraw/zinc/75/23/97/950752397.db2.gz VGUJQFSRJZMGIE-IBGZPJMESA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C)c1ccc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573882004 950762611 /nfs/dbraw/zinc/76/26/11/950762611.db2.gz NJFBRWDWLLOQCN-HNNXBMFYSA-N -1 1 392.467 1.963 20 0 GDADMM CC(C)(C)c1ccc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573882128 950768606 /nfs/dbraw/zinc/76/86/06/950768606.db2.gz TWPTVCCVWKRXSK-OAHLLOKOSA-N -1 1 392.467 1.703 20 0 GDADMM C[C@H](CN(C)C(=O)c1ncccc1[O-])Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574765012 950770384 /nfs/dbraw/zinc/77/03/84/950770384.db2.gz BSEKTYDCXXKLCY-SECBINFHSA-N -1 1 388.819 1.588 20 0 GDADMM C[C@H](CN(C)C(=O)c1ncc(Cl)s1)Nc1nccnc1-c1nnn[n-]1 ZINC001574765314 950783681 /nfs/dbraw/zinc/78/36/81/950783681.db2.gz HGVFNTUVIRBLNI-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CN(C)C(=O)c1ncc(Cl)s1)Nc1nccnc1-c1nn[n-]n1 ZINC001574765314 950783698 /nfs/dbraw/zinc/78/36/98/950783698.db2.gz HGVFNTUVIRBLNI-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM CC1(C)CC(CC(=O)N2C[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]3C2)C1 ZINC001575632105 950789541 /nfs/dbraw/zinc/78/95/41/950789541.db2.gz AQYVLVFKDXRXIF-OKILXGFUSA-N -1 1 382.472 1.378 20 0 GDADMM CC1(C)CC(CC(=O)N2C[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]3C2)C1 ZINC001575632105 950789560 /nfs/dbraw/zinc/78/95/60/950789560.db2.gz AQYVLVFKDXRXIF-OKILXGFUSA-N -1 1 382.472 1.378 20 0 GDADMM CC1(C)CC(CC(=O)NC[C@@H]2[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]32)C1 ZINC001575632165 950792717 /nfs/dbraw/zinc/79/27/17/950792717.db2.gz CLQRRDNNOLAYGA-ZSOGYDGISA-N -1 1 382.472 1.281 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)CC[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576219432 950802135 /nfs/dbraw/zinc/80/21/35/950802135.db2.gz NQALXSVZVXPOAJ-GHMZBOCLSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)CC[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576219432 950802159 /nfs/dbraw/zinc/80/21/59/950802159.db2.gz NQALXSVZVXPOAJ-GHMZBOCLSA-N -1 1 392.414 1.741 20 0 GDADMM CC1(C)CC(CC(=O)NC[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001575633301 950814219 /nfs/dbraw/zinc/81/42/19/950814219.db2.gz RYXJMOPGTJEPAZ-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C)CC(CC(=O)NC[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001575633301 950814249 /nfs/dbraw/zinc/81/42/49/950814249.db2.gz RYXJMOPGTJEPAZ-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576219991 950821926 /nfs/dbraw/zinc/82/19/26/950821926.db2.gz PMJIGOXJKQOILS-MNOVXSKESA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576219991 950821947 /nfs/dbraw/zinc/82/19/47/950821947.db2.gz PMJIGOXJKQOILS-MNOVXSKESA-N -1 1 392.414 1.599 20 0 GDADMM CC(C)(C)c1nc(C(=O)NCC2(Nc3cncc(-c4nnn[n-]4)n3)CC2)co1 ZINC001573885387 950822497 /nfs/dbraw/zinc/82/24/97/950822497.db2.gz QFLFFJHEGPNDIT-UHFFFAOYSA-N -1 1 383.416 1.317 20 0 GDADMM CC(C)(C)c1nc(C(=O)NCC2(Nc3cncc(-c4nn[n-]n4)n3)CC2)co1 ZINC001573885387 950822521 /nfs/dbraw/zinc/82/25/21/950822521.db2.gz QFLFFJHEGPNDIT-UHFFFAOYSA-N -1 1 383.416 1.317 20 0 GDADMM CC(C)C(C)(C)C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001576220179 950828311 /nfs/dbraw/zinc/82/83/11/950828311.db2.gz VYQSTHFZAFYTOU-KBPBESRZSA-N -1 1 386.504 1.657 20 0 GDADMM C[C@@H](CN(C)C(=O)c1nc(Cl)cs1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574767272 950843250 /nfs/dbraw/zinc/84/32/50/950843250.db2.gz PDORITCFHQVXKZ-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CN(C)C(=O)c1nc(Cl)cs1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574767272 950843270 /nfs/dbraw/zinc/84/32/70/950843270.db2.gz PDORITCFHQVXKZ-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CN(C)C(=O)c1csc(C2CC2)n1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574767352 950845364 /nfs/dbraw/zinc/84/53/64/950845364.db2.gz QUERBFWVLZKDTR-VIFPVBQESA-N -1 1 385.457 1.563 20 0 GDADMM C[C@@H](CN(C)C(=O)c1csc(C2CC2)n1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574767352 950845394 /nfs/dbraw/zinc/84/53/94/950845394.db2.gz QUERBFWVLZKDTR-VIFPVBQESA-N -1 1 385.457 1.563 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)C(C)(C)C2(C)C)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576221733 950858127 /nfs/dbraw/zinc/85/81/27/950858127.db2.gz WMPMKEUBPABFGZ-NWDGAFQWSA-N -1 1 384.488 1.410 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C2CCC2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576222170 950863276 /nfs/dbraw/zinc/86/32/76/950863276.db2.gz XNCOIVGENADHDO-QWHCGFSZSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C2CCC2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576222170 950863286 /nfs/dbraw/zinc/86/32/86/950863286.db2.gz XNCOIVGENADHDO-QWHCGFSZSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)c1nnsc1C(=O)N(C)C[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574767882 950870522 /nfs/dbraw/zinc/87/05/22/950870522.db2.gz QXPZXUDCXCSVMI-SECBINFHSA-N -1 1 388.461 1.204 20 0 GDADMM CC(C)c1nnsc1C(=O)N(C)C[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574767882 950870538 /nfs/dbraw/zinc/87/05/38/950870538.db2.gz QXPZXUDCXCSVMI-SECBINFHSA-N -1 1 388.461 1.204 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C2CC2)CC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576222404 950873150 /nfs/dbraw/zinc/87/31/50/950873150.db2.gz YTMFOCJBQAVKPS-QWHCGFSZSA-N -1 1 384.488 1.411 20 0 GDADMM C[C@H](CN(C)C(=O)c1coc(C(F)F)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574767950 950875776 /nfs/dbraw/zinc/87/57/76/950875776.db2.gz VMVMZJVRNQGHGF-MRVPVSSYSA-N -1 1 378.343 1.760 20 0 GDADMM C[C@H](CN(C)C(=O)c1coc(C(F)F)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574767950 950875787 /nfs/dbraw/zinc/87/57/87/950875787.db2.gz VMVMZJVRNQGHGF-MRVPVSSYSA-N -1 1 378.343 1.760 20 0 GDADMM CC(C)CCCC(=O)N[C@@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001574189427 950878432 /nfs/dbraw/zinc/87/84/32/950878432.db2.gz KOMQDJCPKLEXQW-OAHLLOKOSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CCCC(=O)N[C@@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001574189427 950878451 /nfs/dbraw/zinc/87/84/51/950878451.db2.gz KOMQDJCPKLEXQW-OAHLLOKOSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(CC(=O)N1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)(C)C1)C1CC1 ZINC001573893573 950888978 /nfs/dbraw/zinc/88/89/78/950888978.db2.gz LKNABIYTSQKMBX-CYBMUJFWSA-N -1 1 384.488 1.554 20 0 GDADMM CC1(C)C[C@H](NC(=O)c2ccoc2)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575640753 950900271 /nfs/dbraw/zinc/90/02/71/950900271.db2.gz KJERXSSDMUJNKT-CYBMUJFWSA-N -1 1 382.428 1.675 20 0 GDADMM CC1(C)C[C@H](NC(=O)c2ccoc2)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575640753 950900286 /nfs/dbraw/zinc/90/02/86/950900286.db2.gz KJERXSSDMUJNKT-CYBMUJFWSA-N -1 1 382.428 1.675 20 0 GDADMM CC(C)CCCC(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001574190286 950906495 /nfs/dbraw/zinc/90/64/95/950906495.db2.gz WJPQNAVNPVZWLA-UHFFFAOYSA-N -1 1 378.502 1.417 20 0 GDADMM C[C@@H]1C[C@@H](C(=O)N(C)CC(C)(C)CNc2nccnc2-c2nnn[n-]2)CCO1 ZINC001575937526 950949800 /nfs/dbraw/zinc/94/98/00/950949800.db2.gz FPCQNLXNFKGUCP-OLZOCXBDSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@@H]1C[C@@H](C(=O)N(C)CC(C)(C)CNc2nccnc2-c2nn[n-]n2)CCO1 ZINC001575937526 950949810 /nfs/dbraw/zinc/94/98/10/950949810.db2.gz FPCQNLXNFKGUCP-OLZOCXBDSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)(CC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1 ZINC001573896869 950951640 /nfs/dbraw/zinc/95/16/40/950951640.db2.gz KSADVPUWUGFXSA-HNNXBMFYSA-N -1 1 392.467 1.720 20 0 GDADMM CC(C)(CC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1 ZINC001573896869 950951653 /nfs/dbraw/zinc/95/16/53/950951653.db2.gz KSADVPUWUGFXSA-HNNXBMFYSA-N -1 1 392.467 1.720 20 0 GDADMM CC(C)(CC(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001573898131 950974125 /nfs/dbraw/zinc/97/41/25/950974125.db2.gz XPBRBBKAZBKQJM-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](CNC(=O)c1ccc(=O)[nH]c1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001575017515 950998308 /nfs/dbraw/zinc/99/83/08/950998308.db2.gz HBCBCYJQGRSKKA-ZCFIWIBFSA-N -1 1 380.821 1.308 20 0 GDADMM C[C@H](CNC(=O)c1ccc(=O)[nH]c1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575017515 950998320 /nfs/dbraw/zinc/99/83/20/950998320.db2.gz HBCBCYJQGRSKKA-ZCFIWIBFSA-N -1 1 380.821 1.308 20 0 GDADMM CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)CN[C@H](C(=O)[O-])C(C)C ZINC001591087173 951045531 /nfs/dbraw/zinc/04/55/31/951045531.db2.gz ASFWUFJPLDZKLM-LBPRGKRZSA-N -1 1 399.469 1.230 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)F)cc1F)Nc1nccnc1-c1nnn[n-]1 ZINC001575019847 951047884 /nfs/dbraw/zinc/04/78/84/951047884.db2.gz WKSVJSIKNCZQLV-MRVPVSSYSA-N -1 1 392.345 1.964 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)F)cc1F)Nc1nccnc1-c1nn[n-]n1 ZINC001575019847 951047900 /nfs/dbraw/zinc/04/79/00/951047900.db2.gz WKSVJSIKNCZQLV-MRVPVSSYSA-N -1 1 392.345 1.964 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)c(C(F)F)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575023755 951083157 /nfs/dbraw/zinc/08/31/57/951083157.db2.gz PGEUCDHMDZBFTN-MRVPVSSYSA-N -1 1 392.345 1.386 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)s1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575023904 951085285 /nfs/dbraw/zinc/08/52/85/951085285.db2.gz RUCLTLYGAVPEAJ-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)s1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575023904 951085299 /nfs/dbraw/zinc/08/52/99/951085299.db2.gz RUCLTLYGAVPEAJ-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCC=C2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575024769 951115330 /nfs/dbraw/zinc/11/53/30/951115330.db2.gz MKESXIYWAURZNL-GFCCVEGCSA-N -1 1 376.424 1.847 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCC=C2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575024769 951115339 /nfs/dbraw/zinc/11/53/39/951115339.db2.gz MKESXIYWAURZNL-GFCCVEGCSA-N -1 1 376.424 1.847 20 0 GDADMM C[C@H](CNC(=O)c1ccc(N(C)C)c(F)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001575024874 951118382 /nfs/dbraw/zinc/11/83/82/951118382.db2.gz OPURYLNZBPZGIX-SNVBAGLBSA-N -1 1 385.407 1.092 20 0 GDADMM C[C@H](CNC(=O)c1ccc(N(C)C)c(F)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001575024874 951118385 /nfs/dbraw/zinc/11/83/85/951118385.db2.gz OPURYLNZBPZGIX-SNVBAGLBSA-N -1 1 385.407 1.092 20 0 GDADMM C[C@H](CNC(=O)c1cccc(C2CC2)c1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575026718 951145443 /nfs/dbraw/zinc/14/54/43/951145443.db2.gz MGTJTBBRAZPWLC-GFCCVEGCSA-N -1 1 378.440 1.789 20 0 GDADMM C[C@H](CNC(=O)c1cccc(C2CC2)c1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575026718 951145446 /nfs/dbraw/zinc/14/54/46/951145446.db2.gz MGTJTBBRAZPWLC-GFCCVEGCSA-N -1 1 378.440 1.789 20 0 GDADMM C[C@H](CNC(=O)c1ccc2ccn(C)c2c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575026458 951146254 /nfs/dbraw/zinc/14/62/54/951146254.db2.gz KVCHAYYZPHOJKZ-LLVKDONJSA-N -1 1 377.412 1.379 20 0 GDADMM C[C@H](CNC(=O)c1ccc2ccn(C)c2c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575026458 951146260 /nfs/dbraw/zinc/14/62/60/951146260.db2.gz KVCHAYYZPHOJKZ-LLVKDONJSA-N -1 1 377.412 1.379 20 0 GDADMM C[C@H](CNC(=O)c1cccc2n[nH]cc21)CNc1nccnc1-c1nnn[n-]1 ZINC001575026923 951150608 /nfs/dbraw/zinc/15/06/08/951150608.db2.gz BEHYQSHNPNSWIC-JTQLQIEISA-N -1 1 378.400 1.011 20 0 GDADMM C[C@H](CNC(=O)c1cccc2n[nH]cc21)CNc1nccnc1-c1nn[n-]n1 ZINC001575026923 951150612 /nfs/dbraw/zinc/15/06/12/951150612.db2.gz BEHYQSHNPNSWIC-JTQLQIEISA-N -1 1 378.400 1.011 20 0 GDADMM C[C@H](CNC(=O)c1cccc(Cl)c1F)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575027979 951164544 /nfs/dbraw/zinc/16/45/44/951164544.db2.gz SGCLAEXLRPTITP-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1cccc(Cl)c1F)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575027979 951164553 /nfs/dbraw/zinc/16/45/53/951164553.db2.gz SGCLAEXLRPTITP-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(C2CC2)c1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575028014 951165846 /nfs/dbraw/zinc/16/58/46/951165846.db2.gz SQHYCPHHKQPCAL-GFCCVEGCSA-N -1 1 378.440 1.434 20 0 GDADMM O=C([O-])CC[C@H]1C[C@@H](C(=O)Nc2cc(C(=O)OCc3ccccc3)[nH]n2)CO1 ZINC001595004931 951186586 /nfs/dbraw/zinc/18/65/86/951186586.db2.gz MDIHHVWONUUZLT-KGLIPLIRSA-N -1 1 387.392 1.975 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2c1CCCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575030062 951190881 /nfs/dbraw/zinc/19/08/81/951190881.db2.gz ZLKIMUJJJAPXBL-LBPRGKRZSA-N -1 1 378.440 1.766 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2c1CCCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575030062 951190885 /nfs/dbraw/zinc/19/08/85/951190885.db2.gz ZLKIMUJJJAPXBL-LBPRGKRZSA-N -1 1 378.440 1.766 20 0 GDADMM C[C@H](CNC(=O)c1ccsc1Cl)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575037825 951310572 /nfs/dbraw/zinc/31/05/72/951310572.db2.gz CVGCFUFERCOEGB-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@H](CNC(=O)c1ccsc1Cl)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575037825 951310580 /nfs/dbraw/zinc/31/05/80/951310580.db2.gz CVGCFUFERCOEGB-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM CC(C)(C)NC(=O)CN1CCC(CNC(=O)c2coc(/C=C/C(=O)[O-])c2)CC1 ZINC001602869635 971740107 /nfs/dbraw/zinc/74/01/07/971740107.db2.gz BCIDRSBJIVNMHI-SNAWJCMRSA-N -1 1 391.468 1.734 20 0 GDADMM CC(C)Oc1cncc(C(=O)NC[C@@H](C)Nc2nccnc2-c2nnn[n-]2)c1 ZINC001575046409 951441015 /nfs/dbraw/zinc/44/10/15/951441015.db2.gz NUZJQEJZQGNVFO-LLVKDONJSA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1cncc(C(=O)NC[C@@H](C)Nc2nccnc2-c2nn[n-]n2)c1 ZINC001575046409 951441022 /nfs/dbraw/zinc/44/10/22/951441022.db2.gz NUZJQEJZQGNVFO-LLVKDONJSA-N -1 1 383.416 1.069 20 0 GDADMM C[C@@H](CNC(=O)c1cnn(C2CCC2)c1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575052836 951470943 /nfs/dbraw/zinc/47/09/43/951470943.db2.gz OZRSAXMGPBVKKU-LLVKDONJSA-N -1 1 382.432 1.056 20 0 GDADMM C[C@@H](CNC(=O)c1cnn(C2CCC2)c1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575052836 951470951 /nfs/dbraw/zinc/47/09/51/951470951.db2.gz OZRSAXMGPBVKKU-LLVKDONJSA-N -1 1 382.432 1.056 20 0 GDADMM C[C@@H](CNC(=O)c1csc(Cl)n1)CNc1nccnc1-c1nnn[n-]1 ZINC001575060658 951544682 /nfs/dbraw/zinc/54/46/82/951544682.db2.gz CFBGOUDFSQQHGM-SSDOTTSWSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1csc(Cl)n1)CNc1nccnc1-c1nn[n-]n1 ZINC001575060658 951544687 /nfs/dbraw/zinc/54/46/87/951544687.db2.gz CFBGOUDFSQQHGM-SSDOTTSWSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@H](CNC(=O)c1cscc1C(F)F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575062488 951568737 /nfs/dbraw/zinc/56/87/37/951568737.db2.gz WVCRDZFPTRGFTH-SSDOTTSWSA-N -1 1 380.384 1.308 20 0 GDADMM O=C([O-])CN1CCCC[C@H](NS(=O)(=O)c2c(Cl)ccc(F)c2F)C1=O ZINC001595095897 951812728 /nfs/dbraw/zinc/81/27/28/951812728.db2.gz BBMDTGAOWKNBCU-JTQLQIEISA-N -1 1 396.799 1.362 20 0 GDADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)[C@@H]1CCCOCC1)C1CC1 ZINC001575128166 952063401 /nfs/dbraw/zinc/06/34/01/952063401.db2.gz FZAWVLHPYNTLOQ-XIKOKIGWSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)[C@@H]1CCCOCC1)C1CC1 ZINC001575128166 952063413 /nfs/dbraw/zinc/06/34/13/952063413.db2.gz FZAWVLHPYNTLOQ-XIKOKIGWSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)CCCc1ccccn1 ZINC001575134184 952108862 /nfs/dbraw/zinc/10/88/62/952108862.db2.gz MTZCABWAHLNUQL-ZDUSSCGKSA-N -1 1 381.444 1.333 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)CCCc1ccccn1 ZINC001575134184 952108867 /nfs/dbraw/zinc/10/88/67/952108867.db2.gz MTZCABWAHLNUQL-ZDUSSCGKSA-N -1 1 381.444 1.333 20 0 GDADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)[C@@H]1CC12CCCC2)C1CC1 ZINC001575136881 952128899 /nfs/dbraw/zinc/12/88/99/952128899.db2.gz QRBKJDWKMCNUHU-SCLBCKFNSA-N -1 1 382.472 1.356 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ocnc1C(F)F ZINC001575137393 952137906 /nfs/dbraw/zinc/13/79/06/952137906.db2.gz XURHMAIIQVWMPF-SSDOTTSWSA-N -1 1 379.331 1.155 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ocnc1C(F)F ZINC001575137393 952137911 /nfs/dbraw/zinc/13/79/11/952137911.db2.gz XURHMAIIQVWMPF-SSDOTTSWSA-N -1 1 379.331 1.155 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@]1(C)CCc2ccccc21 ZINC001575143524 952154167 /nfs/dbraw/zinc/15/41/67/952154167.db2.gz QBOGWLHYCXSUEJ-ZUOKHONESA-N -1 1 392.467 1.242 20 0 GDADMM O=C([O-])Cn1cccc(C(=O)N2CCc3nc[nH]c3[C@H]2c2ccccc2)c1=O ZINC001595155221 952162390 /nfs/dbraw/zinc/16/23/90/952162390.db2.gz RYYDXVUNLYTEPJ-GOSISDBHSA-N -1 1 378.388 1.444 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C[C@H]1CCC(F)(F)C1 ZINC001575144735 952170424 /nfs/dbraw/zinc/17/04/24/952170424.db2.gz XTEGMPDKEJRQNX-GHMZBOCLSA-N -1 1 380.403 1.163 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc2c(c1)CCC=C2 ZINC001575144713 952170823 /nfs/dbraw/zinc/17/08/23/952170823.db2.gz KQUJQCURDALEON-ZDUSSCGKSA-N -1 1 390.451 1.611 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001575153992 952214702 /nfs/dbraw/zinc/21/47/02/952214702.db2.gz NCLZEXIIFCYYSX-FPMFFAJLSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001575153992 952214713 /nfs/dbraw/zinc/21/47/13/952214713.db2.gz NCLZEXIIFCYYSX-FPMFFAJLSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)c1cccc(F)c1)C1CC1 ZINC001575154562 952225596 /nfs/dbraw/zinc/22/55/96/952225596.db2.gz SNFYQPKWBCLQAW-SFHVURJKSA-N -1 1 382.403 1.806 20 0 GDADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)c1cccc(F)c1)C1CC1 ZINC001575154562 952225605 /nfs/dbraw/zinc/22/56/05/952225605.db2.gz SNFYQPKWBCLQAW-SFHVURJKSA-N -1 1 382.403 1.806 20 0 GDADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)c1cc(Cl)no1)C1CC1 ZINC001575154970 952232782 /nfs/dbraw/zinc/23/27/82/952232782.db2.gz IZDBZKKQTHUOGC-HNNXBMFYSA-N -1 1 389.807 1.309 20 0 GDADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)c1cc(Cl)no1)C1CC1 ZINC001575154970 952232788 /nfs/dbraw/zinc/23/27/88/952232788.db2.gz IZDBZKKQTHUOGC-HNNXBMFYSA-N -1 1 389.807 1.309 20 0 GDADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)C[C@H]1CCCOC1)C1CC1 ZINC001575155798 952243691 /nfs/dbraw/zinc/24/36/91/952243691.db2.gz PFRRQTHSJZYHNO-KZULUSFZSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)C[C@H]1CCCOC1)C1CC1 ZINC001575155798 952243698 /nfs/dbraw/zinc/24/36/98/952243698.db2.gz PFRRQTHSJZYHNO-KZULUSFZSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cc(Cl)cs1 ZINC001575155800 952244303 /nfs/dbraw/zinc/24/43/03/952244303.db2.gz AINOGOMDMFFRAS-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(Cl)cs1 ZINC001575155800 952244306 /nfs/dbraw/zinc/24/43/06/952244306.db2.gz AINOGOMDMFFRAS-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)C1(C(F)F)CCCC1 ZINC001575156236 952250931 /nfs/dbraw/zinc/25/09/31/952250931.db2.gz REJDFKOSVDNJPN-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)C1(C(F)F)CCCC1 ZINC001575156236 952250935 /nfs/dbraw/zinc/25/09/35/952250935.db2.gz REJDFKOSVDNJPN-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CCCc1ccsc1 ZINC001575156349 952252532 /nfs/dbraw/zinc/25/25/32/952252532.db2.gz DTWHJVBHUNGEEU-LBPRGKRZSA-N -1 1 386.485 2.000 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CCCc1ccsc1 ZINC001575156349 952252536 /nfs/dbraw/zinc/25/25/36/952252536.db2.gz DTWHJVBHUNGEEU-LBPRGKRZSA-N -1 1 386.485 2.000 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)Cc1ccccc1Cl ZINC001575156734 952255972 /nfs/dbraw/zinc/25/59/72/952255972.db2.gz HVISDONQXOLTHX-NSHDSACASA-N -1 1 386.847 1.812 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)Cc1ccccc1Cl ZINC001575156734 952255978 /nfs/dbraw/zinc/25/59/78/952255978.db2.gz HVISDONQXOLTHX-NSHDSACASA-N -1 1 386.847 1.812 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cc2c(o1)CCCC2 ZINC001575156723 952256094 /nfs/dbraw/zinc/25/60/94/952256094.db2.gz HUHIILVYHHSZFB-LLVKDONJSA-N -1 1 382.428 1.701 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc2c(o1)CCCC2 ZINC001575156723 952256100 /nfs/dbraw/zinc/25/61/00/952256100.db2.gz HUHIILVYHHSZFB-LLVKDONJSA-N -1 1 382.428 1.701 20 0 GDADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)CCc1ccccc1)C1CC1 ZINC001575156831 952258184 /nfs/dbraw/zinc/25/81/84/952258184.db2.gz WGEICSBYUHSRTO-FQEVSTJZSA-N -1 1 392.467 1.986 20 0 GDADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)CCc1ccccc1)C1CC1 ZINC001575156831 952258189 /nfs/dbraw/zinc/25/81/89/952258189.db2.gz WGEICSBYUHSRTO-FQEVSTJZSA-N -1 1 392.467 1.986 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)COc1ccccc1F ZINC001575156904 952260632 /nfs/dbraw/zinc/26/06/32/952260632.db2.gz ICUSPMIDTUUMSM-NSHDSACASA-N -1 1 386.391 1.134 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)COc1ccccc1F ZINC001575156904 952260634 /nfs/dbraw/zinc/26/06/34/952260634.db2.gz ICUSPMIDTUUMSM-NSHDSACASA-N -1 1 386.391 1.134 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1coc(CC2CC2)n1 ZINC001575158344 952272254 /nfs/dbraw/zinc/27/22/54/952272254.db2.gz TUSKHDVUHQBCIE-SNVBAGLBSA-N -1 1 383.416 1.170 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1coc(CC2CC2)n1 ZINC001575158344 952272258 /nfs/dbraw/zinc/27/22/58/952272258.db2.gz TUSKHDVUHQBCIE-SNVBAGLBSA-N -1 1 383.416 1.170 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1csc(Cl)n1 ZINC001575159019 952274996 /nfs/dbraw/zinc/27/49/96/952274996.db2.gz YCMJFBAZDNQHMG-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1csc(Cl)n1 ZINC001575159019 952275002 /nfs/dbraw/zinc/27/50/02/952275002.db2.gz YCMJFBAZDNQHMG-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)Cc1ccon1 ZINC001575164343 952291512 /nfs/dbraw/zinc/29/15/12/952291512.db2.gz DMAUYVBDJZVLIU-ZETCQYMHSA-N -1 1 382.837 1.466 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCc2ccccc2C1 ZINC001575174103 952364220 /nfs/dbraw/zinc/36/42/20/952364220.db2.gz HCOIVRRDBLQDEP-CJNGLKHVSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCc2ccccc2C1 ZINC001575174103 952364227 /nfs/dbraw/zinc/36/42/27/952364227.db2.gz HCOIVRRDBLQDEP-CJNGLKHVSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)C=Cc1ccco1)C1CC1 ZINC001575174223 952367431 /nfs/dbraw/zinc/36/74/31/952367431.db2.gz JWJFFPYVICFAPT-MJRGOJFPSA-N -1 1 380.412 1.660 20 0 GDADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)C=Cc1ccco1)C1CC1 ZINC001575174223 952367439 /nfs/dbraw/zinc/36/74/39/952367439.db2.gz JWJFFPYVICFAPT-MJRGOJFPSA-N -1 1 380.412 1.660 20 0 GDADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)Cc1ccccc1)C1CC1 ZINC001575174299 952369798 /nfs/dbraw/zinc/36/97/98/952369798.db2.gz LJXJWHRUQJSYOM-LJQANCHMSA-N -1 1 378.440 1.596 20 0 GDADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)Cc1ccccc1)C1CC1 ZINC001575174299 952369804 /nfs/dbraw/zinc/36/98/04/952369804.db2.gz LJXJWHRUQJSYOM-LJQANCHMSA-N -1 1 378.440 1.596 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001575174964 952381919 /nfs/dbraw/zinc/38/19/19/952381919.db2.gz UXPCNZXEODDEJL-IINYFYTJSA-N -1 1 382.403 1.395 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001575174964 952381921 /nfs/dbraw/zinc/38/19/21/952381921.db2.gz UXPCNZXEODDEJL-IINYFYTJSA-N -1 1 382.403 1.395 20 0 GDADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)[C@H]1Cc2ccccc21)C1CC1 ZINC001575175185 952384184 /nfs/dbraw/zinc/38/41/84/952384184.db2.gz VQOZSAKCYZOWEK-YWZLYKJASA-N -1 1 390.451 1.693 20 0 GDADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)[C@H]1Cc2ccccc21)C1CC1 ZINC001575175185 952384187 /nfs/dbraw/zinc/38/41/87/952384187.db2.gz VQOZSAKCYZOWEK-YWZLYKJASA-N -1 1 390.451 1.693 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)CC1(O)CCC1 ZINC001575178270 952406829 /nfs/dbraw/zinc/40/68/29/952406829.db2.gz LSEVMCDJZWPUDK-QMMMGPOBSA-N -1 1 385.881 1.541 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)CC1(O)CCC1 ZINC001575178270 952406830 /nfs/dbraw/zinc/40/68/30/952406830.db2.gz LSEVMCDJZWPUDK-QMMMGPOBSA-N -1 1 385.881 1.541 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N(C)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575187209 952438802 /nfs/dbraw/zinc/43/88/02/952438802.db2.gz ARWGFNRBWCXENP-STQMWFEESA-N -1 1 382.428 1.166 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N(C)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575187209 952438809 /nfs/dbraw/zinc/43/88/09/952438809.db2.gz ARWGFNRBWCXENP-STQMWFEESA-N -1 1 382.428 1.166 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575196167 952474106 /nfs/dbraw/zinc/47/41/06/952474106.db2.gz DXYWCWUFLAPUTO-CHWSQXEVSA-N -1 1 382.428 1.071 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575196167 952474111 /nfs/dbraw/zinc/47/41/11/952474111.db2.gz DXYWCWUFLAPUTO-CHWSQXEVSA-N -1 1 382.428 1.071 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575196579 952475303 /nfs/dbraw/zinc/47/53/03/952475303.db2.gz HGOCFDXLRIZXTL-CHWSQXEVSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575196579 952475308 /nfs/dbraw/zinc/47/53/08/952475308.db2.gz HGOCFDXLRIZXTL-CHWSQXEVSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCC1 ZINC001575197435 952484197 /nfs/dbraw/zinc/48/41/97/952484197.db2.gz VUVOBWBPFFPAGM-GFCCVEGCSA-N -1 1 382.428 1.579 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCC1 ZINC001575197435 952484200 /nfs/dbraw/zinc/48/42/00/952484200.db2.gz VUVOBWBPFFPAGM-GFCCVEGCSA-N -1 1 382.428 1.579 20 0 GDADMM O=C(NC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1)[C@H]1Cc2ccccc21 ZINC001571119568 952492976 /nfs/dbraw/zinc/49/29/76/952492976.db2.gz CRAJLNSUZNLDOU-HIFRSBDPSA-N -1 1 376.424 1.082 20 0 GDADMM O=C(NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1)[C@H]1Cc2ccccc21 ZINC001571119568 952492979 /nfs/dbraw/zinc/49/29/79/952492979.db2.gz CRAJLNSUZNLDOU-HIFRSBDPSA-N -1 1 376.424 1.082 20 0 GDADMM O=C(c1coc(C(F)F)c1)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571120446 952503998 /nfs/dbraw/zinc/50/39/98/952503998.db2.gz LNISNRYMENZLDW-UHFFFAOYSA-N -1 1 376.327 1.150 20 0 GDADMM O=C(c1coc(C(F)F)c1)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571120446 952504006 /nfs/dbraw/zinc/50/40/06/952504006.db2.gz LNISNRYMENZLDW-UHFFFAOYSA-N -1 1 376.327 1.150 20 0 GDADMM O=C(NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1)c1c(F)cccc1F ZINC001571121220 952518354 /nfs/dbraw/zinc/51/83/54/952518354.db2.gz YLHZKTZYIQHEIX-UHFFFAOYSA-N -1 1 376.392 1.821 20 0 GDADMM CC[C@H](SC)C(=O)N1C[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)[C@H](C)C1 ZINC001571121938 952524195 /nfs/dbraw/zinc/52/41/95/952524195.db2.gz FPNZCGPDNGPZQU-WZRBSPASSA-N -1 1 376.490 1.305 20 0 GDADMM CC[C@H](SC)C(=O)N1C[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)[C@H](C)C1 ZINC001571121938 952524198 /nfs/dbraw/zinc/52/41/98/952524198.db2.gz FPNZCGPDNGPZQU-WZRBSPASSA-N -1 1 376.490 1.305 20 0 GDADMM C[C@H]1COCC[C@H]1C(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571123359 952529214 /nfs/dbraw/zinc/52/92/14/952529214.db2.gz QNIUKUDBTMYZDW-SMDDNHRTSA-N -1 1 376.486 1.243 20 0 GDADMM O=C(c1ccc(Cl)s1)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571123740 952531757 /nfs/dbraw/zinc/53/17/57/952531757.db2.gz VQIKNCPIKCRDDC-QMMMGPOBSA-N -1 1 376.833 1.698 20 0 GDADMM O=C(c1ccc(Cl)s1)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571123740 952531761 /nfs/dbraw/zinc/53/17/61/952531761.db2.gz VQIKNCPIKCRDDC-QMMMGPOBSA-N -1 1 376.833 1.698 20 0 GDADMM CCc1nc(N[C@@H](C)[C@H]2CCN(C(=O)C(C)(C)F)C2)cc(-c2nnn[n-]2)n1 ZINC001571123823 952532278 /nfs/dbraw/zinc/53/22/78/952532278.db2.gz WLBNQQACCJWOPP-QWRGUYRKSA-N -1 1 376.440 1.616 20 0 GDADMM CCc1nc(N[C@@H](C)[C@H]2CCN(C(=O)C(C)(C)F)C2)cc(-c2nn[n-]n2)n1 ZINC001571123823 952532283 /nfs/dbraw/zinc/53/22/83/952532283.db2.gz WLBNQQACCJWOPP-QWRGUYRKSA-N -1 1 376.440 1.616 20 0 GDADMM O=C(c1ccc2c(c1)CCC2)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571124123 952533840 /nfs/dbraw/zinc/53/38/40/952533840.db2.gz ZHPKMNJEOCHYMI-UHFFFAOYSA-N -1 1 376.424 1.108 20 0 GDADMM O=C(c1ccc2c(c1)CCC2)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571124123 952533844 /nfs/dbraw/zinc/53/38/44/952533844.db2.gz ZHPKMNJEOCHYMI-UHFFFAOYSA-N -1 1 376.424 1.108 20 0 GDADMM O=C(c1ccccc1)N1CCC[C@H]2[C@@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001571124164 952535454 /nfs/dbraw/zinc/53/54/54/952535454.db2.gz ZVMOLFLEGKVDBU-HOTGVXAUSA-N -1 1 376.424 1.540 20 0 GDADMM O=C(c1ccccc1)N1CCC[C@H]2[C@@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001571124164 952535458 /nfs/dbraw/zinc/53/54/58/952535458.db2.gz ZVMOLFLEGKVDBU-HOTGVXAUSA-N -1 1 376.424 1.540 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)Nc2csc(C(N)=O)c2)cc1-c1nn[n-]n1 ZINC001571124823 952545196 /nfs/dbraw/zinc/54/51/96/952545196.db2.gz VTMHTQPDCJCBOG-UHFFFAOYSA-N -1 1 377.411 1.102 20 0 GDADMM CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC001571126942 952548013 /nfs/dbraw/zinc/54/80/13/952548013.db2.gz AFONTECFEANSDW-UHFFFAOYSA-N -1 1 377.451 1.652 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCCc2scnc2C)cc1-c1nn[n-]n1 ZINC001571127198 952551439 /nfs/dbraw/zinc/55/14/39/952551439.db2.gz BBCXXBQMKMCQEJ-UHFFFAOYSA-N -1 1 377.455 1.427 20 0 GDADMM CO[C@H]1CCC[C@@H]1C(=O)N1CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001571127322 952554238 /nfs/dbraw/zinc/55/42/38/952554238.db2.gz CWQICCVOKAAVFD-RYUDHWBXSA-N -1 1 377.474 1.095 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccc(C2CC2)cn1 ZINC001571127448 952555759 /nfs/dbraw/zinc/55/57/59/952555759.db2.gz JJUUPHRPRGUOJE-JOCQHMNTSA-N -1 1 377.412 1.302 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccc(C2CC2)cn1 ZINC001571127448 952555763 /nfs/dbraw/zinc/55/57/63/952555763.db2.gz JJUUPHRPRGUOJE-JOCQHMNTSA-N -1 1 377.412 1.302 20 0 GDADMM O=C(CC1CC(F)(F)C1)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571129504 952575237 /nfs/dbraw/zinc/57/52/37/952575237.db2.gz FLDRPNTWQWWDSM-UHFFFAOYSA-N -1 1 378.387 1.131 20 0 GDADMM O=C(CC1CC(F)(F)C1)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571129504 952575239 /nfs/dbraw/zinc/57/52/39/952575239.db2.gz FLDRPNTWQWWDSM-UHFFFAOYSA-N -1 1 378.387 1.131 20 0 GDADMM Cc1cc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)ccc1N1CCNC1=O ZINC001571130237 952579609 /nfs/dbraw/zinc/57/96/09/952579609.db2.gz QRBGHDKIAQLVGE-UHFFFAOYSA-N -1 1 378.396 1.030 20 0 GDADMM Cc1cc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)ccc1N1CCNC1=O ZINC001571130237 952579611 /nfs/dbraw/zinc/57/96/11/952579611.db2.gz QRBGHDKIAQLVGE-UHFFFAOYSA-N -1 1 378.396 1.030 20 0 GDADMM O=C(C[C@@H]1CCCC1(F)F)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571130180 952579677 /nfs/dbraw/zinc/57/96/77/952579677.db2.gz PFOHIKSFAOYCQY-QWRGUYRKSA-N -1 1 378.387 1.177 20 0 GDADMM O=C(N1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C1(C(F)F)CC1 ZINC001571130901 952582275 /nfs/dbraw/zinc/58/22/75/952582275.db2.gz YEKBGCJKELPDBZ-JTQLQIEISA-N -1 1 378.387 1.353 20 0 GDADMM O=C(N1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C1(C(F)F)CC1 ZINC001571130901 952582280 /nfs/dbraw/zinc/58/22/80/952582280.db2.gz YEKBGCJKELPDBZ-JTQLQIEISA-N -1 1 378.387 1.353 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)[C@H](C)C2)cc1 ZINC001571134049 952585286 /nfs/dbraw/zinc/58/52/86/952585286.db2.gz COQMVEJNOGZENT-HIFRSBDPSA-N -1 1 378.440 1.752 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)[C@H](C)C2)cc1 ZINC001571134049 952585291 /nfs/dbraw/zinc/58/52/91/952585291.db2.gz COQMVEJNOGZENT-HIFRSBDPSA-N -1 1 378.440 1.752 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571134422 952591084 /nfs/dbraw/zinc/59/10/84/952591084.db2.gz FWZQNHRZRXKQNF-UKRRQHHQSA-N -1 1 378.440 1.548 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571134422 952591087 /nfs/dbraw/zinc/59/10/87/952591087.db2.gz FWZQNHRZRXKQNF-UKRRQHHQSA-N -1 1 378.440 1.548 20 0 GDADMM C[C@H]1CN(C(=O)Cc2ccccc2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571134574 952592290 /nfs/dbraw/zinc/59/22/90/952592290.db2.gz HGCPHJXSYFSMTJ-DZGCQCFKSA-N -1 1 378.440 1.406 20 0 GDADMM C[C@H]1CN(C(=O)Cc2ccccc2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571134574 952592292 /nfs/dbraw/zinc/59/22/92/952592292.db2.gz HGCPHJXSYFSMTJ-DZGCQCFKSA-N -1 1 378.440 1.406 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(NC(=O)c3ccccc3C)CC2)n1 ZINC001571134620 952593186 /nfs/dbraw/zinc/59/31/86/952593186.db2.gz IIWJHBVXSUOSSO-UHFFFAOYSA-N -1 1 378.440 1.672 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(NC(=O)c3ccccc3C)CC2)n1 ZINC001571134620 952593189 /nfs/dbraw/zinc/59/31/89/952593189.db2.gz IIWJHBVXSUOSSO-UHFFFAOYSA-N -1 1 378.440 1.672 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2C=CC=CC=C2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571134875 952596240 /nfs/dbraw/zinc/59/62/40/952596240.db2.gz MIOBLQJSZZAIRB-HIFRSBDPSA-N -1 1 378.440 1.429 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2C=CC=CC=C2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571134875 952596246 /nfs/dbraw/zinc/59/62/46/952596246.db2.gz MIOBLQJSZZAIRB-HIFRSBDPSA-N -1 1 378.440 1.429 20 0 GDADMM Cc1cccc(C(=O)NC[C@@H]2CCCCN2c2ccnc(-c3nn[n-]n3)n2)c1 ZINC001571134832 952596255 /nfs/dbraw/zinc/59/62/55/952596255.db2.gz OCOGZJZRCOUWCD-HNNXBMFYSA-N -1 1 378.440 1.754 20 0 GDADMM Cc1cccc(C(=O)N2C[C@@H](C)[C@H](Nc3nccnc3-c3nnn[n-]3)C2)c1C ZINC001571135103 952599745 /nfs/dbraw/zinc/59/97/45/952599745.db2.gz RNAPSQUUGQZWRK-IUODEOHRSA-N -1 1 378.440 1.846 20 0 GDADMM Cc1cccc(C(=O)N2C[C@@H](C)[C@H](Nc3nccnc3-c3nn[n-]n3)C2)c1C ZINC001571135103 952599747 /nfs/dbraw/zinc/59/97/47/952599747.db2.gz RNAPSQUUGQZWRK-IUODEOHRSA-N -1 1 378.440 1.846 20 0 GDADMM Cc1ccc(C(=O)NC2CC(CNc3nc(C)cc(-c4nnn[n-]4)n3)C2)cc1 ZINC001571135150 952600822 /nfs/dbraw/zinc/60/08/22/952600822.db2.gz SFCKFAFQUAGNDA-UHFFFAOYSA-N -1 1 378.440 1.894 20 0 GDADMM Cc1ccc(C(=O)NC2CC(CNc3nc(C)cc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571135150 952600829 /nfs/dbraw/zinc/60/08/29/952600829.db2.gz SFCKFAFQUAGNDA-UHFFFAOYSA-N -1 1 378.440 1.894 20 0 GDADMM Cc1ccc(CC(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001571135325 952602825 /nfs/dbraw/zinc/60/28/25/952602825.db2.gz VQSYTRBWMAQPDI-OAHLLOKOSA-N -1 1 378.440 1.293 20 0 GDADMM Cc1ccc(CC(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571135325 952602830 /nfs/dbraw/zinc/60/28/30/952602830.db2.gz VQSYTRBWMAQPDI-OAHLLOKOSA-N -1 1 378.440 1.293 20 0 GDADMM O=C(Cc1ccccc1)N1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571141100 952630712 /nfs/dbraw/zinc/63/07/12/952630712.db2.gz GSCWHWNBCAUDLN-OAHLLOKOSA-N -1 1 378.440 1.114 20 0 GDADMM O=C(Cc1ccccc1)N1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571141928 952637304 /nfs/dbraw/zinc/63/73/04/952637304.db2.gz KTZKGEWASXYRGF-HNNXBMFYSA-N -1 1 378.440 1.692 20 0 GDADMM O=C(Cc1ccccc1)N1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571141928 952637306 /nfs/dbraw/zinc/63/73/06/952637306.db2.gz KTZKGEWASXYRGF-HNNXBMFYSA-N -1 1 378.440 1.692 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cccnc1 ZINC001571146938 952654754 /nfs/dbraw/zinc/65/47/54/952654754.db2.gz DFVLQKPXXDWHPS-OCCSQVGLSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cccnc1 ZINC001571146938 952654757 /nfs/dbraw/zinc/65/47/57/952654757.db2.gz DFVLQKPXXDWHPS-OCCSQVGLSA-N -1 1 379.428 1.258 20 0 GDADMM CC(C)c1ccc(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)nc1 ZINC001571147181 952657537 /nfs/dbraw/zinc/65/75/37/952657537.db2.gz IHJDRPDBMQXYRL-ZDUSSCGKSA-N -1 1 379.428 1.502 20 0 GDADMM CC(C)c1ccc(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)nc1 ZINC001571147181 952657540 /nfs/dbraw/zinc/65/75/40/952657540.db2.gz IHJDRPDBMQXYRL-ZDUSSCGKSA-N -1 1 379.428 1.502 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](NC(=O)c3ccccn3)CC[C@@H]2C)n1 ZINC001571147191 952659041 /nfs/dbraw/zinc/65/90/41/952659041.db2.gz IRBLQLYMQVREJJ-STQMWFEESA-N -1 1 379.428 1.147 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](NC(=O)c3ccccn3)CC[C@@H]2C)n1 ZINC001571147191 952659042 /nfs/dbraw/zinc/65/90/42/952659042.db2.gz IRBLQLYMQVREJJ-STQMWFEESA-N -1 1 379.428 1.147 20 0 GDADMM Cc1[nH]ccc1C(=O)N[C@@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571147357 952660514 /nfs/dbraw/zinc/66/05/14/952660514.db2.gz LALWVASUNGRMIA-RDTXWAMCSA-N -1 1 379.428 1.225 20 0 GDADMM Cc1[nH]ccc1C(=O)N[C@@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001571147357 952660516 /nfs/dbraw/zinc/66/05/16/952660516.db2.gz LALWVASUNGRMIA-RDTXWAMCSA-N -1 1 379.428 1.225 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CC[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571147363 952660859 /nfs/dbraw/zinc/66/08/59/952660859.db2.gz LBXKGPRZINVFAD-GOSISDBHSA-N -1 1 379.428 1.036 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CC[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571147363 952660872 /nfs/dbraw/zinc/66/08/72/952660872.db2.gz LBXKGPRZINVFAD-GOSISDBHSA-N -1 1 379.428 1.036 20 0 GDADMM CCc1nc(N[C@H]2CCN(C(=O)c3ccccn3)[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571147576 952662675 /nfs/dbraw/zinc/66/26/75/952662675.db2.gz OIZOLPNHQIZYTI-NEPJUHHUSA-N -1 1 379.428 1.329 20 0 GDADMM CCc1nc(N[C@H]2CCN(C(=O)c3ccccn3)[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571147576 952662677 /nfs/dbraw/zinc/66/26/77/952662677.db2.gz OIZOLPNHQIZYTI-NEPJUHHUSA-N -1 1 379.428 1.329 20 0 GDADMM Cc1[nH]ccc1C(=O)NC1CC2(C1)CC(Nc1nccnc1-c1nnn[n-]1)C2 ZINC001571148319 952666763 /nfs/dbraw/zinc/66/67/63/952666763.db2.gz YLQLTSQFODYJIV-UHFFFAOYSA-N -1 1 379.428 1.446 20 0 GDADMM Cc1[nH]ccc1C(=O)NC1CC2(C1)CC(Nc1nccnc1-c1nn[n-]n1)C2 ZINC001571148319 952666767 /nfs/dbraw/zinc/66/67/67/952666767.db2.gz YLQLTSQFODYJIV-UHFFFAOYSA-N -1 1 379.428 1.446 20 0 GDADMM Cc1occc1C(=O)N[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571153280 952685066 /nfs/dbraw/zinc/68/50/66/952685066.db2.gz MYMJXUVTSRFCEU-MRVPVSSYSA-N -1 1 379.833 1.887 20 0 GDADMM Cc1occc1C(=O)N[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571153280 952685070 /nfs/dbraw/zinc/68/50/70/952685070.db2.gz MYMJXUVTSRFCEU-MRVPVSSYSA-N -1 1 379.833 1.887 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@H]2CCN(C(=O)[C@H](C)C(C)(F)F)C2)n1 ZINC001571154771 952689717 /nfs/dbraw/zinc/68/97/17/952689717.db2.gz BBHAACPKFBUNDV-QWRGUYRKSA-N -1 1 380.403 1.294 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@H]2CCN(C(=O)[C@H](C)C(C)(F)F)C2)n1 ZINC001571154771 952689719 /nfs/dbraw/zinc/68/97/19/952689719.db2.gz BBHAACPKFBUNDV-QWRGUYRKSA-N -1 1 380.403 1.294 20 0 GDADMM CCOc1cccc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571154860 952690516 /nfs/dbraw/zinc/69/05/16/952690516.db2.gz CMPVCAPWJQEYOZ-ZDUSSCGKSA-N -1 1 380.412 1.382 20 0 GDADMM CCOc1cccc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571154860 952690518 /nfs/dbraw/zinc/69/05/18/952690518.db2.gz CMPVCAPWJQEYOZ-ZDUSSCGKSA-N -1 1 380.412 1.382 20 0 GDADMM C[C@@]1(NC(=O)[C@@H]2C[C@H]2c2ccco2)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571155201 952694109 /nfs/dbraw/zinc/69/41/09/952694109.db2.gz KQIGAZYBOULGJC-SEDUGSJDSA-N -1 1 380.412 1.138 20 0 GDADMM C[C@@]1(NC(=O)[C@@H]2C[C@H]2c2ccco2)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571155201 952694111 /nfs/dbraw/zinc/69/41/11/952694111.db2.gz KQIGAZYBOULGJC-SEDUGSJDSA-N -1 1 380.412 1.138 20 0 GDADMM CCOc1cccc(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571155251 952694813 /nfs/dbraw/zinc/69/48/13/952694813.db2.gz LVCPHGNTULZSBK-BETUJISGSA-N -1 1 380.412 1.428 20 0 GDADMM CCOc1cccc(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571155251 952694818 /nfs/dbraw/zinc/69/48/18/952694818.db2.gz LVCPHGNTULZSBK-BETUJISGSA-N -1 1 380.412 1.428 20 0 GDADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1)c1cccc(F)c1 ZINC001571155720 952699070 /nfs/dbraw/zinc/69/90/70/952699070.db2.gz YLPLNPBMCDNBJP-YUELXQCFSA-N -1 1 380.387 1.336 20 0 GDADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1)c1cccc(F)c1 ZINC001571155720 952699073 /nfs/dbraw/zinc/69/90/73/952699073.db2.gz YLPLNPBMCDNBJP-YUELXQCFSA-N -1 1 380.387 1.336 20 0 GDADMM Cc1cncc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1 ZINC001571156537 952702282 /nfs/dbraw/zinc/70/22/82/952702282.db2.gz DBYAVXWKHMYFFL-GXTWGEPZSA-N -1 1 379.428 1.465 20 0 GDADMM Cc1cncc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1 ZINC001571156537 952702291 /nfs/dbraw/zinc/70/22/91/952702291.db2.gz DBYAVXWKHMYFFL-GXTWGEPZSA-N -1 1 379.428 1.465 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NCC[C@H]2CCN(C(=O)c3ccncc3)C2)n1 ZINC001571159768 952721616 /nfs/dbraw/zinc/72/16/16/952721616.db2.gz WJTNRJWJWVVEOU-ZDUSSCGKSA-N -1 1 379.428 1.324 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NCC[C@H]2CCN(C(=O)c3ccncc3)C2)n1 ZINC001571159768 952721620 /nfs/dbraw/zinc/72/16/20/952721620.db2.gz WJTNRJWJWVVEOU-ZDUSSCGKSA-N -1 1 379.428 1.324 20 0 GDADMM O=C(c1occ2c1CCC2)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571162237 952740847 /nfs/dbraw/zinc/74/08/47/952740847.db2.gz OJAJOZXGBRBXOQ-LBPRGKRZSA-N -1 1 380.412 1.455 20 0 GDADMM O=C(c1occ2c1CCC2)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571162237 952740850 /nfs/dbraw/zinc/74/08/50/952740850.db2.gz OJAJOZXGBRBXOQ-LBPRGKRZSA-N -1 1 380.412 1.455 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H]3[C@H]2CCCN3C(=O)[C@H]2CC23CC3)n1 ZINC001571169847 952779518 /nfs/dbraw/zinc/77/95/18/952779518.db2.gz PDUKDMASVBXQSZ-BPLDGKMQSA-N -1 1 380.456 1.335 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H]3[C@H]2CCCN3C(=O)[C@H]2CC23CC3)n1 ZINC001571169847 952779521 /nfs/dbraw/zinc/77/95/21/952779521.db2.gz PDUKDMASVBXQSZ-BPLDGKMQSA-N -1 1 380.456 1.335 20 0 GDADMM C[C@H]1CN(C(=O)c2cnc(C3CC3)o2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571170768 952788287 /nfs/dbraw/zinc/78/82/87/952788287.db2.gz LKHOJHBZGNJFGP-JOYOIKCWSA-N -1 1 381.400 1.095 20 0 GDADMM C[C@H]1CN(C(=O)c2cnc(C3CC3)o2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571170768 952788292 /nfs/dbraw/zinc/78/82/92/952788292.db2.gz LKHOJHBZGNJFGP-JOYOIKCWSA-N -1 1 381.400 1.095 20 0 GDADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1)[C@@H]1CC12CCCC2 ZINC001571171837 952798290 /nfs/dbraw/zinc/79/82/90/952798290.db2.gz GNOWASNLISVHBX-RQJABVFESA-N -1 1 380.456 1.463 20 0 GDADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1)[C@@H]1CC12CCCC2 ZINC001571171837 952798295 /nfs/dbraw/zinc/79/82/95/952798295.db2.gz GNOWASNLISVHBX-RQJABVFESA-N -1 1 380.456 1.463 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2nc(-c3nn[n-]n3)c(Cl)s2)C1)c1cnco1 ZINC001571172009 952799915 /nfs/dbraw/zinc/79/99/15/952799915.db2.gz KDUGOUGDWHVTMA-LJGSYFOKSA-N -1 1 380.821 1.585 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1conc1C1CC1 ZINC001571176293 952829728 /nfs/dbraw/zinc/82/97/28/952829728.db2.gz OGUMYKRJGPEQFN-JGZJWPJOSA-N -1 1 381.400 1.143 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1conc1C1CC1 ZINC001571176293 952829732 /nfs/dbraw/zinc/82/97/32/952829732.db2.gz OGUMYKRJGPEQFN-JGZJWPJOSA-N -1 1 381.400 1.143 20 0 GDADMM O=C(c1cnoc1C1CC1)N1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571178173 952835693 /nfs/dbraw/zinc/83/56/93/952835693.db2.gz AJCAUTGOWDRGQL-NSHDSACASA-N -1 1 381.400 1.239 20 0 GDADMM O=C(c1cnoc1C1CC1)N1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571178173 952835700 /nfs/dbraw/zinc/83/57/00/952835700.db2.gz AJCAUTGOWDRGQL-NSHDSACASA-N -1 1 381.400 1.239 20 0 GDADMM C[C@@H](C(=O)N1CC[C@](C)(CNc2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001571179533 952852729 /nfs/dbraw/zinc/85/27/29/952852729.db2.gz FOERZGJDFNYOFR-SCLBCKFNSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@@H](C(=O)N1CC[C@](C)(CNc2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001571179533 952852737 /nfs/dbraw/zinc/85/27/37/952852737.db2.gz FOERZGJDFNYOFR-SCLBCKFNSA-N -1 1 381.444 1.370 20 0 GDADMM CC(C)n1cccc1C(=O)NCC1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571183736 952881843 /nfs/dbraw/zinc/88/18/43/952881843.db2.gz IKJUFSXFGHGDGT-UHFFFAOYSA-N -1 1 381.444 1.660 20 0 GDADMM CC(C)n1cccc1C(=O)NCC1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571183736 952881848 /nfs/dbraw/zinc/88/18/48/952881848.db2.gz IKJUFSXFGHGDGT-UHFFFAOYSA-N -1 1 381.444 1.660 20 0 GDADMM CCc1[nH]ccc1C(=O)N[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571183759 952883143 /nfs/dbraw/zinc/88/31/43/952883143.db2.gz IYVMWLLHNVNRKJ-ZIAGYGMSSA-N -1 1 381.444 1.700 20 0 GDADMM CCc1[nH]ccc1C(=O)N[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571183759 952883147 /nfs/dbraw/zinc/88/31/47/952883147.db2.gz IYVMWLLHNVNRKJ-ZIAGYGMSSA-N -1 1 381.444 1.700 20 0 GDADMM CCN(CC1CCN(C(=O)c2cc[nH]c2)CC1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571183866 952884733 /nfs/dbraw/zinc/88/47/33/952884733.db2.gz LHOVQPYUOXCESB-UHFFFAOYSA-N -1 1 381.444 1.364 20 0 GDADMM CCN(CC1CCN(C(=O)c2cc[nH]c2)CC1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571183866 952884738 /nfs/dbraw/zinc/88/47/38/952884738.db2.gz LHOVQPYUOXCESB-UHFFFAOYSA-N -1 1 381.444 1.364 20 0 GDADMM CCc1nc(N[C@@H]2C[C@H](C)N(C(=O)c3[nH]ccc3C)C2)cc(-c2nnn[n-]2)n1 ZINC001571183974 952886322 /nfs/dbraw/zinc/88/63/22/952886322.db2.gz NVVBEIAYQPEFKP-NWDGAFQWSA-N -1 1 381.444 1.571 20 0 GDADMM CCc1nc(N[C@@H]2C[C@H](C)N(C(=O)c3[nH]ccc3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571183974 952886324 /nfs/dbraw/zinc/88/63/24/952886324.db2.gz NVVBEIAYQPEFKP-NWDGAFQWSA-N -1 1 381.444 1.571 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H]1CCCCN1C(=O)Cc1ccc[nH]1 ZINC001571184429 952893975 /nfs/dbraw/zinc/89/39/75/952893975.db2.gz ZAGIDHHOZPBFGJ-TZMCWYRMSA-N -1 1 381.444 1.409 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H]1CCCCN1C(=O)Cc1ccc[nH]1 ZINC001571184429 952893978 /nfs/dbraw/zinc/89/39/78/952893978.db2.gz ZAGIDHHOZPBFGJ-TZMCWYRMSA-N -1 1 381.444 1.409 20 0 GDADMM Cc1c(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@H](C)C2)ccn1C ZINC001571184831 952896604 /nfs/dbraw/zinc/89/66/04/952896604.db2.gz DZIXSCRFMVGMRS-BXUZGUMPSA-N -1 1 381.444 1.266 20 0 GDADMM Cc1c(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@H](C)C2)ccn1C ZINC001571184831 952896606 /nfs/dbraw/zinc/89/66/06/952896606.db2.gz DZIXSCRFMVGMRS-BXUZGUMPSA-N -1 1 381.444 1.266 20 0 GDADMM Cn1cccc1C(=O)N1CCC(CCNc2nccnc2-c2nnn[n-]2)CC1 ZINC001571188533 952915826 /nfs/dbraw/zinc/91/58/26/952915826.db2.gz CXCWZEFBXUMIMX-UHFFFAOYSA-N -1 1 381.444 1.350 20 0 GDADMM Cn1cccc1C(=O)N1CCC(CCNc2nccnc2-c2nn[n-]n2)CC1 ZINC001571188533 952915827 /nfs/dbraw/zinc/91/58/27/952915827.db2.gz CXCWZEFBXUMIMX-UHFFFAOYSA-N -1 1 381.444 1.350 20 0 GDADMM CC(C)C(=O)N1C[C@@H]2CN(c3snc(Cl)c3-c3nnn[n-]3)CC[C@@H]2C1 ZINC001571190529 952943535 /nfs/dbraw/zinc/94/35/35/952943535.db2.gz KTUADTQNRCBZRO-ZJUUUORDSA-N -1 1 381.893 1.917 20 0 GDADMM CC(C)C(=O)N1C[C@@H]2CN(c3snc(Cl)c3-c3nn[n-]n3)CC[C@@H]2C1 ZINC001571190529 952943541 /nfs/dbraw/zinc/94/35/41/952943541.db2.gz KTUADTQNRCBZRO-ZJUUUORDSA-N -1 1 381.893 1.917 20 0 GDADMM Cc1cccc(F)c1C(=O)N1CC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001571195627 952977286 /nfs/dbraw/zinc/97/72/86/952977286.db2.gz DDAHULCCAAGFKQ-GFCCVEGCSA-N -1 1 382.403 1.455 20 0 GDADMM Cc1cccc(F)c1C(=O)N1CC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001571195627 952977291 /nfs/dbraw/zinc/97/72/91/952977291.db2.gz DDAHULCCAAGFKQ-GFCCVEGCSA-N -1 1 382.403 1.455 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1F ZINC001571196413 952981391 /nfs/dbraw/zinc/98/13/91/952981391.db2.gz KJJXQDLAJBISBP-IJLUTSLNSA-N -1 1 382.403 1.659 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1F ZINC001571196413 952981396 /nfs/dbraw/zinc/98/13/96/952981396.db2.gz KJJXQDLAJBISBP-IJLUTSLNSA-N -1 1 382.403 1.659 20 0 GDADMM O=C([C@H](F)Cc1ccccc1)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571196899 952984991 /nfs/dbraw/zinc/98/49/91/952984991.db2.gz PENQIQIQADIZED-UONOGXRCSA-N -1 1 382.403 1.250 20 0 GDADMM O=C([C@H](F)Cc1ccccc1)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571196899 952984995 /nfs/dbraw/zinc/98/49/95/952984995.db2.gz PENQIQIQADIZED-UONOGXRCSA-N -1 1 382.403 1.250 20 0 GDADMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)c2ccccc2F)C1 ZINC001571196937 952985681 /nfs/dbraw/zinc/98/56/81/952985681.db2.gz QEONBIWTSXVUKD-NWDGAFQWSA-N -1 1 382.403 1.759 20 0 GDADMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)c2ccccc2F)C1 ZINC001571196937 952985685 /nfs/dbraw/zinc/98/56/85/952985685.db2.gz QEONBIWTSXVUKD-NWDGAFQWSA-N -1 1 382.403 1.759 20 0 GDADMM CCc1occc1C(=O)N1CCC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571198735 952992360 /nfs/dbraw/zinc/99/23/60/952992360.db2.gz FDMBILJRQPHRKW-GFCCVEGCSA-N -1 1 382.428 1.776 20 0 GDADMM CCc1occc1C(=O)N1CCC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571198735 952992363 /nfs/dbraw/zinc/99/23/63/952992363.db2.gz FDMBILJRQPHRKW-GFCCVEGCSA-N -1 1 382.428 1.776 20 0 GDADMM CCc1occc1C(=O)N1C[C@H](C)[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571199237 952997499 /nfs/dbraw/zinc/99/74/99/952997499.db2.gz OBWCBZDLEHYUKZ-RYUDHWBXSA-N -1 1 382.428 1.632 20 0 GDADMM CCc1occc1C(=O)N1C[C@H](C)[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571199237 952997505 /nfs/dbraw/zinc/99/75/05/952997505.db2.gz OBWCBZDLEHYUKZ-RYUDHWBXSA-N -1 1 382.428 1.632 20 0 GDADMM CN(CC1CCN(C(=O)Cc2ccoc2)CC1)c1nccnc1-c1nnn[n-]1 ZINC001571199627 953002587 /nfs/dbraw/zinc/00/25/87/953002587.db2.gz WWEIBUCZODKIOX-UHFFFAOYSA-N -1 1 382.428 1.167 20 0 GDADMM CN(CC1CCN(C(=O)Cc2ccoc2)CC1)c1nccnc1-c1nn[n-]n1 ZINC001571199627 953002599 /nfs/dbraw/zinc/00/25/99/953002599.db2.gz WWEIBUCZODKIOX-UHFFFAOYSA-N -1 1 382.428 1.167 20 0 GDADMM Cc1coc(C)c1C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H](C)C1 ZINC001571200089 953006753 /nfs/dbraw/zinc/00/67/53/953006753.db2.gz APYZHWGGSKMULW-WCQYABFASA-N -1 1 382.428 1.654 20 0 GDADMM Cc1coc(C)c1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H](C)C1 ZINC001571200089 953006755 /nfs/dbraw/zinc/00/67/55/953006755.db2.gz APYZHWGGSKMULW-WCQYABFASA-N -1 1 382.428 1.654 20 0 GDADMM O=C(N[C@@H]1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1)c1cccc(F)c1 ZINC001571200326 953008545 /nfs/dbraw/zinc/00/85/45/953008545.db2.gz HTVLKOJWXGLUAI-GXTWGEPZSA-N -1 1 382.403 1.806 20 0 GDADMM O=C(N[C@@H]1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1)c1cccc(F)c1 ZINC001571200326 953008548 /nfs/dbraw/zinc/00/85/48/953008548.db2.gz HTVLKOJWXGLUAI-GXTWGEPZSA-N -1 1 382.403 1.806 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1)c1ccco1 ZINC001571200366 953008869 /nfs/dbraw/zinc/00/88/69/953008869.db2.gz IAPILKLAUHPLLH-QWHCGFSZSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1)c1ccco1 ZINC001571200366 953008871 /nfs/dbraw/zinc/00/88/71/953008871.db2.gz IAPILKLAUHPLLH-QWHCGFSZSA-N -1 1 382.428 1.846 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@H]([C@@H](C)Nc3cncc(-c4nnn[n-]4)n3)C2)co1 ZINC001571200500 953010078 /nfs/dbraw/zinc/01/00/78/953010078.db2.gz CQHXJVMRIJJGBS-OLZOCXBDSA-N -1 1 382.428 1.911 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@H]([C@@H](C)Nc3cncc(-c4nn[n-]n4)n3)C2)co1 ZINC001571200500 953010082 /nfs/dbraw/zinc/01/00/82/953010082.db2.gz CQHXJVMRIJJGBS-OLZOCXBDSA-N -1 1 382.428 1.911 20 0 GDADMM Cc1ccoc1CC(=O)N1CC[C@H]([C@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571200572 953010445 /nfs/dbraw/zinc/01/04/45/953010445.db2.gz DWRFZZZCQMTGQG-STQMWFEESA-N -1 1 382.428 1.450 20 0 GDADMM Cc1ccoc1CC(=O)N1CC[C@H]([C@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571200572 953010449 /nfs/dbraw/zinc/01/04/49/953010449.db2.gz DWRFZZZCQMTGQG-STQMWFEESA-N -1 1 382.428 1.450 20 0 GDADMM Cc1ccc([C@@H](C)C(=O)N2CCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)o1 ZINC001571201023 953013794 /nfs/dbraw/zinc/01/37/94/953013794.db2.gz IENMAXQLKQXWPS-OLZOCXBDSA-N -1 1 382.428 1.187 20 0 GDADMM Cc1ccoc1CC(=O)N[C@@H]1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571201362 953017846 /nfs/dbraw/zinc/01/78/46/953017846.db2.gz LAXGPPDDUDPOIT-CHWSQXEVSA-N -1 1 382.428 1.498 20 0 GDADMM Cc1ccoc1CC(=O)N[C@@H]1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571201362 953017849 /nfs/dbraw/zinc/01/78/49/953017849.db2.gz LAXGPPDDUDPOIT-CHWSQXEVSA-N -1 1 382.428 1.498 20 0 GDADMM Cc1ccc(C(=O)NC[C@H]2CCCCCN2c2cnc(-c3nnn[n-]3)cn2)o1 ZINC001571201629 953018910 /nfs/dbraw/zinc/01/89/10/953018910.db2.gz LZQMCAFZUULOMS-CYBMUJFWSA-N -1 1 382.428 1.737 20 0 GDADMM Cc1ccc(C(=O)NC[C@H]2CCCCCN2c2cnc(-c3nn[n-]n3)cn2)o1 ZINC001571201629 953018914 /nfs/dbraw/zinc/01/89/14/953018914.db2.gz LZQMCAFZUULOMS-CYBMUJFWSA-N -1 1 382.428 1.737 20 0 GDADMM Cc1cc(C(=O)N2CCCC[C@@H]2CN(C)c2cnc(-c3nnn[n-]3)cn2)co1 ZINC001571201790 953020527 /nfs/dbraw/zinc/02/05/27/953020527.db2.gz OKSDFFPVEBMYNV-CQSZACIVSA-N -1 1 382.428 1.689 20 0 GDADMM Cc1cc(C(=O)N2CCCC[C@@H]2CN(C)c2cnc(-c3nn[n-]n3)cn2)co1 ZINC001571201790 953020532 /nfs/dbraw/zinc/02/05/32/953020532.db2.gz OKSDFFPVEBMYNV-CQSZACIVSA-N -1 1 382.428 1.689 20 0 GDADMM Cc1coc(C)c1C(=O)N1CCC(N(C)c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571202336 953023707 /nfs/dbraw/zinc/02/37/07/953023707.db2.gz TXCIBOMUYPAAGB-UHFFFAOYSA-N -1 1 382.428 1.608 20 0 GDADMM Cc1coc(C)c1C(=O)N1CCC(N(C)c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571202336 953023712 /nfs/dbraw/zinc/02/37/12/953023712.db2.gz TXCIBOMUYPAAGB-UHFFFAOYSA-N -1 1 382.428 1.608 20 0 GDADMM Cc1cocc1C(=O)N1CCC[C@@H](C)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571202727 953028014 /nfs/dbraw/zinc/02/80/14/953028014.db2.gz XMHPFSUGHGHSSR-ABAIWWIYSA-N -1 1 382.428 1.911 20 0 GDADMM Cc1cocc1C(=O)N1CCC[C@@H](C)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571202727 953028019 /nfs/dbraw/zinc/02/80/19/953028019.db2.gz XMHPFSUGHGHSSR-ABAIWWIYSA-N -1 1 382.428 1.911 20 0 GDADMM Cc1cocc1C(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)[C@@H](C)C1 ZINC001571202806 953028947 /nfs/dbraw/zinc/02/89/47/953028947.db2.gz YYKWHMHAFJNVES-WCQYABFASA-N -1 1 382.428 1.768 20 0 GDADMM Cc1cocc1C(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)[C@@H](C)C1 ZINC001571202806 953028949 /nfs/dbraw/zinc/02/89/49/953028949.db2.gz YYKWHMHAFJNVES-WCQYABFASA-N -1 1 382.428 1.768 20 0 GDADMM CC(C)n1cnc(C(=O)N2CCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)c1 ZINC001571204910 953033868 /nfs/dbraw/zinc/03/38/68/953033868.db2.gz FPRCVSMTDJIXKH-GFCCVEGCSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1cnc(C(=O)N2CCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)c1 ZINC001571204910 953033875 /nfs/dbraw/zinc/03/38/75/953033875.db2.gz FPRCVSMTDJIXKH-GFCCVEGCSA-N -1 1 382.432 1.151 20 0 GDADMM Cc1n[nH]cc1C(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571205815 953042276 /nfs/dbraw/zinc/04/22/76/953042276.db2.gz BJPCNESZWBOGFA-HAQNSBGRSA-N -1 1 382.432 1.089 20 0 GDADMM Cc1n[nH]cc1C(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571205815 953042278 /nfs/dbraw/zinc/04/22/78/953042278.db2.gz BJPCNESZWBOGFA-HAQNSBGRSA-N -1 1 382.432 1.089 20 0 GDADMM Cc1oc(C)c(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H]2C)c1C ZINC001571205792 953042744 /nfs/dbraw/zinc/04/27/44/953042744.db2.gz MBWBEDYUZKVPFD-GXFFZTMASA-N -1 1 382.428 1.890 20 0 GDADMM Cc1oc(C)c(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H]2C)c1C ZINC001571205792 953042748 /nfs/dbraw/zinc/04/27/48/953042748.db2.gz MBWBEDYUZKVPFD-GXFFZTMASA-N -1 1 382.428 1.890 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@@H](NC(=O)c3ccn(C(C)C)n3)C2)n1 ZINC001571206397 953050757 /nfs/dbraw/zinc/05/07/57/953050757.db2.gz GHMHTCVAAQEYIB-TXEJJXNPSA-N -1 1 382.432 1.115 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@@H](NC(=O)c3ccn(C(C)C)n3)C2)n1 ZINC001571206397 953050760 /nfs/dbraw/zinc/05/07/60/953050760.db2.gz GHMHTCVAAQEYIB-TXEJJXNPSA-N -1 1 382.432 1.115 20 0 GDADMM CCn1cc(C(=O)N[C@@H]2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)cn1 ZINC001571206820 953056557 /nfs/dbraw/zinc/05/65/57/953056557.db2.gz XQYMEBZOLZYZPW-CHWSQXEVSA-N -1 1 382.432 1.026 20 0 GDADMM CCn1cc(C(=O)N[C@@H]2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)cn1 ZINC001571206820 953056560 /nfs/dbraw/zinc/05/65/60/953056560.db2.gz XQYMEBZOLZYZPW-CHWSQXEVSA-N -1 1 382.432 1.026 20 0 GDADMM CCn1cc(C(=O)N[C@H]2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)cn1 ZINC001571206826 953056602 /nfs/dbraw/zinc/05/66/02/953056602.db2.gz XQYMEBZOLZYZPW-STQMWFEESA-N -1 1 382.432 1.026 20 0 GDADMM CCn1cc(C(=O)N[C@H]2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)cn1 ZINC001571206826 953056605 /nfs/dbraw/zinc/05/66/05/953056605.db2.gz XQYMEBZOLZYZPW-STQMWFEESA-N -1 1 382.432 1.026 20 0 GDADMM Cc1nc[nH]c1C(=O)N[C@H]1CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571207184 953059661 /nfs/dbraw/zinc/05/96/61/953059661.db2.gz OLEOHZHXVZJZBZ-RYUDHWBXSA-N -1 1 382.432 1.089 20 0 GDADMM Cc1nc[nH]c1C(=O)N[C@H]1CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571207184 953059665 /nfs/dbraw/zinc/05/96/65/953059665.db2.gz OLEOHZHXVZJZBZ-RYUDHWBXSA-N -1 1 382.432 1.089 20 0 GDADMM O=C(c1cccs1)N1C[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001571210838 953074921 /nfs/dbraw/zinc/07/49/21/953074921.db2.gz YAMQLVVYOAGHKW-NEPJUHHUSA-N -1 1 382.453 1.317 20 0 GDADMM O=C(c1cccs1)N1C[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001571210838 953074925 /nfs/dbraw/zinc/07/49/25/953074925.db2.gz YAMQLVVYOAGHKW-NEPJUHHUSA-N -1 1 382.453 1.317 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]32)sc1C ZINC001571210915 953076277 /nfs/dbraw/zinc/07/62/77/953076277.db2.gz ZZMDPALROZBJOH-PJXYFTJBSA-N -1 1 382.453 1.200 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]32)sc1C ZINC001571210915 953076280 /nfs/dbraw/zinc/07/62/80/953076280.db2.gz ZZMDPALROZBJOH-PJXYFTJBSA-N -1 1 382.453 1.200 20 0 GDADMM CC1(C(=O)N2C[C@@H]3CCC[C@H](Nc4ccc(-c5nnn[n-]5)nn4)[C@H]3C2)CCC1 ZINC001571211566 953078696 /nfs/dbraw/zinc/07/86/96/953078696.db2.gz BVOILQOHMBRQIQ-IHRRRGAJSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(C(=O)N2C[C@@H]3CCC[C@H](Nc4ccc(-c5nn[n-]n5)nn4)[C@H]3C2)CCC1 ZINC001571211566 953078698 /nfs/dbraw/zinc/07/86/98/953078698.db2.gz BVOILQOHMBRQIQ-IHRRRGAJSA-N -1 1 382.472 1.886 20 0 GDADMM CN(C[C@@H]1CCCN1C(=O)[C@H]1[C@@H]2CCCC[C@@H]21)c1cnc(-c2nnn[n-]2)cn1 ZINC001571212464 953087762 /nfs/dbraw/zinc/08/77/62/953087762.db2.gz MESRIUXFTBSGCY-SZOQZIPDSA-N -1 1 382.472 1.520 20 0 GDADMM CN(C[C@@H]1CCCN1C(=O)[C@H]1[C@@H]2CCCC[C@@H]21)c1cnc(-c2nn[n-]n2)cn1 ZINC001571212464 953087764 /nfs/dbraw/zinc/08/77/64/953087764.db2.gz MESRIUXFTBSGCY-SZOQZIPDSA-N -1 1 382.472 1.520 20 0 GDADMM C[C@H]1C[C@@H]1C(=O)N1CCC2(CC1)CCN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001571212549 953089491 /nfs/dbraw/zinc/08/94/91/953089491.db2.gz NDKCEFMHKVRBKF-KBPBESRZSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)CC(C(=O)N2CC[C@H]3[C@@H](CCN3c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571212559 953089720 /nfs/dbraw/zinc/08/97/20/953089720.db2.gz NEUHOPBJLHJSHB-JSGCOSHPSA-N -1 1 382.472 1.520 20 0 GDADMM CN(C[C@@H]1CCCCN1C(=O)[C@@H]1CC12CCC2)c1ccnc(-c2nn[n-]n2)n1 ZINC001571212985 953091232 /nfs/dbraw/zinc/09/12/32/953091232.db2.gz PFTWITZIXYDDIT-KBPBESRZSA-N -1 1 382.472 1.664 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2CC(C)(C)C2)n1 ZINC001571213595 953096156 /nfs/dbraw/zinc/09/61/56/953096156.db2.gz SCIQQOCMLSZHIH-ATCWAGBWSA-N -1 1 382.472 1.206 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2CC(C)(C)C2)n1 ZINC001571213595 953096162 /nfs/dbraw/zinc/09/61/62/953096162.db2.gz SCIQQOCMLSZHIH-ATCWAGBWSA-N -1 1 382.472 1.206 20 0 GDADMM CC(C)(C)C12CC(C(=O)N3CC[C@H](Nc4nccnc4-c4nnn[n-]4)C3)(C1)C2 ZINC001571214017 953098447 /nfs/dbraw/zinc/09/84/47/953098447.db2.gz VFEHRUCFWGKNPQ-RMEHTXHKSA-N -1 1 382.472 1.886 20 0 GDADMM CC(C)(C)C12CC(C(=O)N3CC[C@H](Nc4nccnc4-c4nn[n-]n4)C3)(C1)C2 ZINC001571214017 953098450 /nfs/dbraw/zinc/09/84/50/953098450.db2.gz VFEHRUCFWGKNPQ-RMEHTXHKSA-N -1 1 382.472 1.886 20 0 GDADMM O=C(CCC1CCC1)N1CCC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001571216897 953104778 /nfs/dbraw/zinc/10/47/78/953104778.db2.gz BSYSQJYXLUIHER-GOEBONIOSA-N -1 1 382.472 1.664 20 0 GDADMM O=C(CCC1CCC1)N1CCC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001571216897 953104781 /nfs/dbraw/zinc/10/47/81/953104781.db2.gz BSYSQJYXLUIHER-GOEBONIOSA-N -1 1 382.472 1.664 20 0 GDADMM O=C(NC[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)[C@@H]1CCCC12CC2 ZINC001571217348 953106770 /nfs/dbraw/zinc/10/67/70/953106770.db2.gz FWGDDBVZBNNNQT-KGLIPLIRSA-N -1 1 382.472 1.570 20 0 GDADMM O=C(c1ccc(Cl)cc1)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1 ZINC001571218436 953114911 /nfs/dbraw/zinc/11/49/11/953114911.db2.gz NRICNZCTQHASLG-STQMWFEESA-N -1 1 382.815 1.413 20 0 GDADMM O=C(c1ccc(Cl)cc1)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1 ZINC001571218436 953114914 /nfs/dbraw/zinc/11/49/14/953114914.db2.gz NRICNZCTQHASLG-STQMWFEESA-N -1 1 382.815 1.413 20 0 GDADMM O=C(N[C@@H]1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1)c1ccncc1F ZINC001571218597 953116685 /nfs/dbraw/zinc/11/66/85/953116685.db2.gz CATUCDYZIARPAI-GHMZBOCLSA-N -1 1 383.391 1.201 20 0 GDADMM O=C(N[C@@H]1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1)c1ccncc1F ZINC001571218597 953116686 /nfs/dbraw/zinc/11/66/86/953116686.db2.gz CATUCDYZIARPAI-GHMZBOCLSA-N -1 1 383.391 1.201 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(F)cn2)CC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571218694 953118362 /nfs/dbraw/zinc/11/83/62/953118362.db2.gz YVECWNVRMZREAO-CMPLNLGQSA-N -1 1 383.391 1.154 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(F)cn2)CC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571218694 953118363 /nfs/dbraw/zinc/11/83/63/953118363.db2.gz YVECWNVRMZREAO-CMPLNLGQSA-N -1 1 383.391 1.154 20 0 GDADMM O=C(N[C@@H]1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)C12CCC(CC1)C2 ZINC001571218765 953119196 /nfs/dbraw/zinc/11/91/96/953119196.db2.gz QMXDDUPFWSUTIA-UWCWSIQASA-N -1 1 382.472 1.934 20 0 GDADMM O=C(N[C@@H]1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)C12CCC(CC1)C2 ZINC001571218765 953119199 /nfs/dbraw/zinc/11/91/99/953119199.db2.gz QMXDDUPFWSUTIA-UWCWSIQASA-N -1 1 382.472 1.934 20 0 GDADMM O=C(C1CCC1)N1CCCC[C@H]1[C@H]1CCCN1c1nccnc1-c1nnn[n-]1 ZINC001571219122 953123129 /nfs/dbraw/zinc/12/31/29/953123129.db2.gz VYOIJILKKVNYMC-CABCVRRESA-N -1 1 382.472 1.807 20 0 GDADMM O=C(C1CCC1)N1CCCC[C@H]1[C@H]1CCCN1c1nccnc1-c1nn[n-]n1 ZINC001571219122 953123132 /nfs/dbraw/zinc/12/31/32/953123132.db2.gz VYOIJILKKVNYMC-CABCVRRESA-N -1 1 382.472 1.807 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccon2)[C@@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001571222078 953130339 /nfs/dbraw/zinc/13/03/39/953130339.db2.gz BISKKHINSLTYFF-WCQYABFASA-N -1 1 383.416 1.388 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccon2)[C@@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001571222078 953130342 /nfs/dbraw/zinc/13/03/42/953130342.db2.gz BISKKHINSLTYFF-WCQYABFASA-N -1 1 383.416 1.388 20 0 GDADMM CCc1nc(NC[C@H]2C[C@H](NC(=O)c3ocnc3C)C2)cc(-c2nnn[n-]2)n1 ZINC001571222491 953134849 /nfs/dbraw/zinc/13/48/49/953134849.db2.gz GPSCQNNQOUARMQ-XYPYZODXSA-N -1 1 383.416 1.136 20 0 GDADMM CCc1nc(NC[C@H]2C[C@H](NC(=O)c3ocnc3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571222491 953134850 /nfs/dbraw/zinc/13/48/50/953134850.db2.gz GPSCQNNQOUARMQ-XYPYZODXSA-N -1 1 383.416 1.136 20 0 GDADMM CCCc1cc(C(=O)N(C)C2CC(Nc3nccnc3-c3nnn[n-]3)C2)no1 ZINC001571222890 953139334 /nfs/dbraw/zinc/13/93/34/953139334.db2.gz MUUSMURNEGACRC-UHFFFAOYSA-N -1 1 383.416 1.312 20 0 GDADMM CCCc1cc(C(=O)N(C)C2CC(Nc3nccnc3-c3nn[n-]n3)C2)no1 ZINC001571222890 953139335 /nfs/dbraw/zinc/13/93/35/953139335.db2.gz MUUSMURNEGACRC-UHFFFAOYSA-N -1 1 383.416 1.312 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CN(C(=O)c3cnco3)CC[C@H]2C)n1 ZINC001571224752 953151139 /nfs/dbraw/zinc/15/11/39/953151139.db2.gz FNGYUPVWKAHXPS-ZYHUDNBSSA-N -1 1 383.416 1.163 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CN(C(=O)c3cnco3)CC[C@H]2C)n1 ZINC001571224752 953151142 /nfs/dbraw/zinc/15/11/42/953151142.db2.gz FNGYUPVWKAHXPS-ZYHUDNBSSA-N -1 1 383.416 1.163 20 0 GDADMM Cc1ncoc1C(=O)NC[C@@H]1CCCCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571227107 953158272 /nfs/dbraw/zinc/15/82/72/953158272.db2.gz YTSBNDJYZGLIEA-LBPRGKRZSA-N -1 1 383.416 1.132 20 0 GDADMM O=C(c1csc(C2CC2)n1)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571231050 953182529 /nfs/dbraw/zinc/18/25/29/953182529.db2.gz RFHHVRDCJZWDCN-SNVBAGLBSA-N -1 1 383.441 1.317 20 0 GDADMM O=C(c1csc(C2CC2)n1)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571231050 953182532 /nfs/dbraw/zinc/18/25/32/953182532.db2.gz RFHHVRDCJZWDCN-SNVBAGLBSA-N -1 1 383.441 1.317 20 0 GDADMM CCc1nc(N[C@H]2CCCN(C(=O)CC(F)(F)F)C2)cc(-c2nnn[n-]2)n1 ZINC001571234526 953203312 /nfs/dbraw/zinc/20/33/12/953203312.db2.gz APBAKJKBLKXFNH-VIFPVBQESA-N -1 1 384.366 1.574 20 0 GDADMM CCc1nc(N[C@H]2CCCN(C(=O)CC(F)(F)F)C2)cc(-c2nn[n-]n2)n1 ZINC001571234526 953203315 /nfs/dbraw/zinc/20/33/15/953203315.db2.gz APBAKJKBLKXFNH-VIFPVBQESA-N -1 1 384.366 1.574 20 0 GDADMM O=C([C@@H]1CCOC1)N1CC[C@H](CNc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571234553 953203331 /nfs/dbraw/zinc/20/33/31/953203331.db2.gz BKEJCXGSYIOEBG-RKDXNWHRSA-N -1 1 383.865 1.274 20 0 GDADMM C[C@@H]1C[C@H](C(=O)N2CCN(c3snc(Cl)c3-c3nnn[n-]3)CC2)CO1 ZINC001571234655 953204384 /nfs/dbraw/zinc/20/43/84/953204384.db2.gz FHKGKHXUJQNHQU-BDAKNGLRSA-N -1 1 383.865 1.050 20 0 GDADMM C[C@@H]1C[C@H](C(=O)N2CCN(c3snc(Cl)c3-c3nn[n-]n3)CC2)CO1 ZINC001571234655 953204386 /nfs/dbraw/zinc/20/43/86/953204386.db2.gz FHKGKHXUJQNHQU-BDAKNGLRSA-N -1 1 383.865 1.050 20 0 GDADMM O=C([C@H]1CCOC1)N1CCC(Nc2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC001571235218 953210714 /nfs/dbraw/zinc/21/07/14/953210714.db2.gz XJCMWHRKLBQAKA-QMMMGPOBSA-N -1 1 383.865 1.416 20 0 GDADMM O=C([C@H]1CCOC1)N1CCC(Nc2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC001571235218 953210716 /nfs/dbraw/zinc/21/07/16/953210716.db2.gz XJCMWHRKLBQAKA-QMMMGPOBSA-N -1 1 383.865 1.416 20 0 GDADMM C[C@H](NC(=O)C1=COCCC1)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571242436 953256234 /nfs/dbraw/zinc/25/62/34/953256234.db2.gz GEPXOHHSXYUZCP-LBPRGKRZSA-N -1 1 384.444 1.072 20 0 GDADMM C[C@H](NC(=O)C1=COCCC1)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571242436 953256236 /nfs/dbraw/zinc/25/62/36/953256236.db2.gz GEPXOHHSXYUZCP-LBPRGKRZSA-N -1 1 384.444 1.072 20 0 GDADMM CN(C[C@H]1CCCCN1C(=O)c1cccs1)c1cncc(-c2nnn[n-]2)n1 ZINC001571244733 953266424 /nfs/dbraw/zinc/26/64/24/953266424.db2.gz GVGMVMPERJNZBY-GFCCVEGCSA-N -1 1 384.469 1.849 20 0 GDADMM CN(C[C@H]1CCCCN1C(=O)c1cccs1)c1cncc(-c2nn[n-]n2)n1 ZINC001571244733 953266429 /nfs/dbraw/zinc/26/64/29/953266429.db2.gz GVGMVMPERJNZBY-GFCCVEGCSA-N -1 1 384.469 1.849 20 0 GDADMM Cc1cc(C(=O)N2C[C@@H](C)[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)sc1C ZINC001571245254 953271832 /nfs/dbraw/zinc/27/18/32/953271832.db2.gz QOLLSBUVRMCHNQ-MFKMUULPSA-N -1 1 384.469 1.908 20 0 GDADMM Cc1cc(C(=O)N2C[C@@H](C)[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)sc1C ZINC001571245254 953271835 /nfs/dbraw/zinc/27/18/35/953271835.db2.gz QOLLSBUVRMCHNQ-MFKMUULPSA-N -1 1 384.469 1.908 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccsc2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571245523 953274622 /nfs/dbraw/zinc/27/46/22/953274622.db2.gz JUBJMLNDIGWEMB-WCQYABFASA-N -1 1 384.469 1.929 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccsc2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571245523 953274625 /nfs/dbraw/zinc/27/46/25/953274625.db2.gz JUBJMLNDIGWEMB-WCQYABFASA-N -1 1 384.469 1.929 20 0 GDADMM Cc1nsc(N2CC[C@@H](CNC(=O)c3cnccc3C)C2)c1-c1nn[n-]n1 ZINC001571245544 953274760 /nfs/dbraw/zinc/27/47/60/953274760.db2.gz UZHMCEVGVAMNPB-LBPRGKRZSA-N -1 1 384.469 1.591 20 0 GDADMM Cc1cc(C(=O)NCC2CC(Nc3nccnc3-c3nnn[n-]3)C2)sc1C ZINC001571245800 953276584 /nfs/dbraw/zinc/27/65/84/953276584.db2.gz ZBUIILDPXBWVSB-UHFFFAOYSA-N -1 1 384.469 1.956 20 0 GDADMM Cc1cc(C(=O)NCC2CC(Nc3nccnc3-c3nn[n-]n3)C2)sc1C ZINC001571245800 953276586 /nfs/dbraw/zinc/27/65/86/953276586.db2.gz ZBUIILDPXBWVSB-UHFFFAOYSA-N -1 1 384.469 1.956 20 0 GDADMM C[C@H]1[C@H](NC(=O)Cc2cccs2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571246102 953280022 /nfs/dbraw/zinc/28/00/22/953280022.db2.gz SPISJBMOORBKBR-WCQYABFASA-N -1 1 384.469 1.434 20 0 GDADMM C[C@H]1[C@H](NC(=O)Cc2cccs2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571246102 953280025 /nfs/dbraw/zinc/28/00/25/953280025.db2.gz SPISJBMOORBKBR-WCQYABFASA-N -1 1 384.469 1.434 20 0 GDADMM C[C@@H](C(=O)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)c1cccs1 ZINC001571246368 953282671 /nfs/dbraw/zinc/28/26/71/953282671.db2.gz ZIUWATDPDIXFQL-GFCCVEGCSA-N -1 1 384.469 1.561 20 0 GDADMM C[C@@H](C(=O)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)c1cccs1 ZINC001571246368 953282672 /nfs/dbraw/zinc/28/26/72/953282672.db2.gz ZIUWATDPDIXFQL-GFCCVEGCSA-N -1 1 384.469 1.561 20 0 GDADMM Cc1nsc(N2CC[C@@H](NC(=O)c3ccccn3)C[C@@H]2C)c1-c1nn[n-]n1 ZINC001571247588 953283145 /nfs/dbraw/zinc/28/31/45/953283145.db2.gz AQIUOTDXJGANRU-CMPLNLGQSA-N -1 1 384.469 1.814 20 0 GDADMM O=C(C1=CCOCC1)N1CCCC[C@@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001571247539 953283234 /nfs/dbraw/zinc/28/32/34/953283234.db2.gz AJPKIKGYOHSURJ-CQSZACIVSA-N -1 1 384.444 1.187 20 0 GDADMM O=C(C1=CCOCC1)N1CCCC[C@@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001571247539 953283240 /nfs/dbraw/zinc/28/32/40/953283240.db2.gz AJPKIKGYOHSURJ-CQSZACIVSA-N -1 1 384.444 1.187 20 0 GDADMM Cc1sccc1CC(=O)N1CC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001571248003 953288911 /nfs/dbraw/zinc/28/89/11/953288911.db2.gz LBSDMMSRLFGXOP-CYBMUJFWSA-N -1 1 384.469 1.306 20 0 GDADMM Cc1sccc1CC(=O)N1CC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001571248003 953288916 /nfs/dbraw/zinc/28/89/16/953288916.db2.gz LBSDMMSRLFGXOP-CYBMUJFWSA-N -1 1 384.469 1.306 20 0 GDADMM Cc1nsc(N2CCN(C(=O)CCc3ccccn3)CC2)c1-c1nn[n-]n1 ZINC001571248174 953290807 /nfs/dbraw/zinc/29/08/07/953290807.db2.gz MUBKGDKIJPAZFZ-UHFFFAOYSA-N -1 1 384.469 1.308 20 0 GDADMM CC(C)(C)C(=O)N1CCC([C@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571249013 953299474 /nfs/dbraw/zinc/29/94/74/953299474.db2.gz AVFKCKWMMHXQOY-OAHLLOKOSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)(C)C(=O)N1CCC([C@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571249013 953299478 /nfs/dbraw/zinc/29/94/78/953299478.db2.gz AVFKCKWMMHXQOY-OAHLLOKOSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCN(C(=O)C2CC(C)(C)C2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571249177 953301408 /nfs/dbraw/zinc/30/14/08/953301408.db2.gz FJYVKLLXYRZYNR-OCCSQVGLSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H]1CCN(C(=O)C2CC(C)(C)C2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571249177 953301410 /nfs/dbraw/zinc/30/14/10/953301410.db2.gz FJYVKLLXYRZYNR-OCCSQVGLSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)[C@H](C)C(=O)N1CCC[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001571249477 953306067 /nfs/dbraw/zinc/30/60/67/953306067.db2.gz JPLCPVXJUAHOGB-IFXJQAMLSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)[C@H](C)C(=O)N1CCC[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001571249477 953306071 /nfs/dbraw/zinc/30/60/71/953306071.db2.gz JPLCPVXJUAHOGB-IFXJQAMLSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)CC(=O)N1CCCC[C@@H]1[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571249436 953306352 /nfs/dbraw/zinc/30/63/52/953306352.db2.gz JAZHYIROVKGTIY-HUUCEWRRSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CC(=O)N1CCCC[C@@H]1[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571249436 953306356 /nfs/dbraw/zinc/30/63/56/953306356.db2.gz JAZHYIROVKGTIY-HUUCEWRRSA-N -1 1 384.488 1.910 20 0 GDADMM CC(=O)N1CCC[C@@H](C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C2CCCC2)C1 ZINC001571250230 953309610 /nfs/dbraw/zinc/30/96/10/953309610.db2.gz OSYVUBDIYWXLBM-HOCLYGCPSA-N -1 1 384.488 1.698 20 0 GDADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)CC2CC(C)(C)C2)C1 ZINC001571251136 953314695 /nfs/dbraw/zinc/31/46/95/953314695.db2.gz WEVVPAIKCFJBIM-OCCSQVGLSA-N -1 1 384.488 1.554 20 0 GDADMM CC1(C)CCCC[C@H]1C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571251528 953318199 /nfs/dbraw/zinc/31/81/99/953318199.db2.gz ZKOYOQLKEAMAOK-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CCCC[C@H]1C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571251528 953318203 /nfs/dbraw/zinc/31/82/03/953318203.db2.gz ZKOYOQLKEAMAOK-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CCCC[C@@H]1C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571251534 953318656 /nfs/dbraw/zinc/31/86/56/953318656.db2.gz ZKOYOQLKEAMAOK-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CCCC[C@@H]1C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571251534 953318661 /nfs/dbraw/zinc/31/86/61/953318661.db2.gz ZKOYOQLKEAMAOK-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@@H]2CCCN2C(=O)[C@H](C)C2CCC2)n1 ZINC001571252037 953322482 /nfs/dbraw/zinc/32/24/82/953322482.db2.gz FWVGSYBQVUGBQU-HIFRSBDPSA-N -1 1 384.488 1.829 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@@H]2CCCN2C(=O)[C@H](C)C2CCC2)n1 ZINC001571252037 953322485 /nfs/dbraw/zinc/32/24/85/953322485.db2.gz FWVGSYBQVUGBQU-HIFRSBDPSA-N -1 1 384.488 1.829 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c(Cl)c1 ZINC001571254667 953341006 /nfs/dbraw/zinc/34/10/06/953341006.db2.gz FVOFHOXGSUPDRZ-NSHDSACASA-N -1 1 384.831 1.945 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c(Cl)c1 ZINC001571254667 953341007 /nfs/dbraw/zinc/34/10/07/953341007.db2.gz FVOFHOXGSUPDRZ-NSHDSACASA-N -1 1 384.831 1.945 20 0 GDADMM O=C([O-])C1(CNC(=O)NCc2ccc(Nc3ccncc3)cc2)CCOCC1 ZINC001594769014 953547731 /nfs/dbraw/zinc/54/77/31/953547731.db2.gz XORCUBHPKDKKFA-UHFFFAOYSA-N -1 1 384.436 1.928 20 0 GDADMM C[C@H](NC(=O)CNC(=O)CN1C[C@@H](C(=O)[O-])CC[C@H]1C)c1ccc(F)cc1 ZINC000563535496 953600576 /nfs/dbraw/zinc/60/05/76/953600576.db2.gz XQFVEQVIORNSNK-IPYPFGDCSA-N -1 1 379.432 1.304 20 0 GDADMM C[C@H]1CCN(CC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)C[C@@H]1C(=O)[O-] ZINC000563810774 953602067 /nfs/dbraw/zinc/60/20/67/953602067.db2.gz SFFVRNWRDDAHGV-JSGCOSHPSA-N -1 1 391.424 1.539 20 0 GDADMM CCc1ccc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])c(O)c1 ZINC001593635621 953609606 /nfs/dbraw/zinc/60/96/06/953609606.db2.gz YBNQKKFNHXZXMU-YPMHNXCESA-N -1 1 388.342 1.691 20 0 GDADMM O=C([O-])c1ncccc1NC(=O)N[C@]1(CO)CCCN(Cc2ccccc2)C1 ZINC001594812313 953841307 /nfs/dbraw/zinc/84/13/07/953841307.db2.gz XUDRBSUHUDZHKY-HXUWFJFHSA-N -1 1 384.436 1.928 20 0 GDADMM O=C([O-])c1cc(NC(=O)N[C@]2(CO)CCCN(Cc3ccccc3)C2)ccn1 ZINC001594824131 953931324 /nfs/dbraw/zinc/93/13/24/953931324.db2.gz DVBJAVOKUGCFSA-HXUWFJFHSA-N -1 1 384.436 1.928 20 0 GDADMM CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001593702490 954136480 /nfs/dbraw/zinc/13/64/80/954136480.db2.gz SRDLIIDFZGVLKV-MRXNPFEDSA-N -1 1 388.399 1.934 20 0 GDADMM CN(C)S(=O)(=O)C1(CNCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)CC1 ZINC001593703499 954139425 /nfs/dbraw/zinc/13/94/25/954139425.db2.gz ASPMVIKFVMDQSD-CYBMUJFWSA-N -1 1 385.486 1.094 20 0 GDADMM C[C@](CNC(=O)CCN1CCN(c2ccccn2)CC1)(C(=O)[O-])c1ccccc1 ZINC000653323022 954148508 /nfs/dbraw/zinc/14/85/08/954148508.db2.gz JTEPIIGAGVJNKL-JOCHJYFZSA-N -1 1 396.491 1.752 20 0 GDADMM O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)CCc1cncs1 ZINC001594889767 954507408 /nfs/dbraw/zinc/50/74/08/954507408.db2.gz MRZFJEJSSLEOKL-GXSJLCMTSA-N -1 1 379.360 1.198 20 0 GDADMM O=C([O-])[C@H]1CC(=O)N(C2CCN(CCc3nc4ccccc4c(=O)[nH]3)CC2)C1 ZINC001594898482 954592689 /nfs/dbraw/zinc/59/26/89/954592689.db2.gz LBSCHRXZJRTURC-ZDUSSCGKSA-N -1 1 384.436 1.275 20 0 GDADMM CNS(=O)(=O)C[C@@H]1CCCN(Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)C1 ZINC001593798151 954828394 /nfs/dbraw/zinc/82/83/94/954828394.db2.gz MCQUWSOCROOAHS-CQSZACIVSA-N -1 1 399.513 1.342 20 0 GDADMM CNS(=O)(=O)C[C@@H]1CCCN(Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)C1 ZINC001593798216 954829657 /nfs/dbraw/zinc/82/96/57/954829657.db2.gz OLJHKAWAYBGQJD-HUUCEWRRSA-N -1 1 399.513 1.342 20 0 GDADMM O=C([O-])C1CCN(c2ccc(CNCc3n[nH]c([C@@H]4CCCO4)n3)o2)CC1 ZINC001594939303 954867103 /nfs/dbraw/zinc/86/71/03/954867103.db2.gz HIWRCIIZPYIIFG-AWEZNQCLSA-N -1 1 375.429 1.840 20 0 GDADMM O=C([O-])[C@H]1CN(C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)Cc2ccccc21 ZINC001594953142 954964990 /nfs/dbraw/zinc/96/49/90/954964990.db2.gz BOIODVSCTYWIFL-AEFFLSMTSA-N -1 1 395.415 1.548 20 0 GDADMM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cc(-c2cccc(Cl)c2)[nH]n1 ZINC001594959917 955004142 /nfs/dbraw/zinc/00/41/42/955004142.db2.gz JQRYZVYQJDGOEX-ZDUSSCGKSA-N -1 1 383.813 1.054 20 0 GDADMM COC(=O)C1CC2(C1)CN(C(=O)c1cc(-c3ccccc3)[nH]n1)C[C@H]2C(=O)[O-] ZINC001593823536 955065047 /nfs/dbraw/zinc/06/50/47/955065047.db2.gz LVHMTOWZTNGXGK-DMAKZNTKSA-N -1 1 383.404 1.803 20 0 GDADMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)c1cccc2c1cccc2N(C)C ZINC000841774874 955591433 /nfs/dbraw/zinc/59/14/33/955591433.db2.gz XJBAOJZTTOKILG-UHFFFAOYSA-N -1 1 379.482 1.543 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)[O-])oc1Cl ZINC001593875019 955656993 /nfs/dbraw/zinc/65/69/93/955656993.db2.gz VPMHDHWVYJYASW-LLVKDONJSA-N -1 1 387.797 1.694 20 0 GDADMM O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cccc2c[nH]nc21 ZINC000851699247 955808186 /nfs/dbraw/zinc/80/81/86/955808186.db2.gz APSWIVGCHGSFPJ-ZYHUDNBSSA-N -1 1 384.314 1.299 20 0 GDADMM O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cc1cccc(F)c1 ZINC000851699664 955809783 /nfs/dbraw/zinc/80/97/83/955809783.db2.gz FRYSASVPTLVRBC-WCQYABFASA-N -1 1 376.306 1.491 20 0 GDADMM O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccc2c(c1)CCO2 ZINC000851700778 955814129 /nfs/dbraw/zinc/81/41/29/955814129.db2.gz CODXOLKBYKGGJP-WCQYABFASA-N -1 1 386.326 1.358 20 0 GDADMM CCCc1ncc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])s1 ZINC000851701503 955816952 /nfs/dbraw/zinc/81/69/52/955816952.db2.gz HNDQNQCTNYSGJJ-GZMMTYOYSA-N -1 1 393.387 1.832 20 0 GDADMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cccc2c1OCO2 ZINC000851703150 955824557 /nfs/dbraw/zinc/82/45/57/955824557.db2.gz OAZKWMPLNGFQAA-KOLCDFICSA-N -1 1 388.298 1.152 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-])[NH+]1CCCCCC1 ZINC000851704076 955827913 /nfs/dbraw/zinc/82/79/13/955827913.db2.gz SDEYOIPUTJNHNP-AGIUHOORSA-N -1 1 393.406 1.374 20 0 GDADMM O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccnc(C2CC2)n1 ZINC000851704496 955829870 /nfs/dbraw/zinc/82/98/70/955829870.db2.gz XBWPMKZBQZCQMW-GXSJLCMTSA-N -1 1 386.330 1.090 20 0 GDADMM O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1noc2c1CCCC2 ZINC000851704696 955834203 /nfs/dbraw/zinc/83/42/03/955834203.db2.gz ZKEYGUZZINRDBZ-BXKDBHETSA-N -1 1 389.330 1.290 20 0 GDADMM CCOc1ccc(CN2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])nc1 ZINC000852734782 955842969 /nfs/dbraw/zinc/84/29/69/955842969.db2.gz DCSLCFNFILHWFR-QWHCGFSZSA-N -1 1 375.347 1.576 20 0 GDADMM COc1ccc(F)cc1C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000852957674 955887696 /nfs/dbraw/zinc/88/76/96/955887696.db2.gz RIOCKTHMBVYWPQ-CMPLNLGQSA-N -1 1 392.305 1.571 20 0 GDADMM CSc1cccnc1C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000852957973 955889525 /nfs/dbraw/zinc/88/95/25/955889525.db2.gz AIBBCPHWXFFEFG-KWQFWETISA-N -1 1 391.371 1.540 20 0 GDADMM C[C@@H](NC(=O)C1(C(=O)[O-])CCOCC1)c1cc(F)ccc1N1CCN(C)CC1 ZINC001589091111 955940411 /nfs/dbraw/zinc/94/04/11/955940411.db2.gz NUPJVIPZPRNIQA-CQSZACIVSA-N -1 1 393.459 1.636 20 0 GDADMM C[C@](NC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O)(C(=O)[O-])c1ccccc1 ZINC001589095750 955984657 /nfs/dbraw/zinc/98/46/57/955984657.db2.gz KDUXVHPZDKCKOG-OAQYLSRUSA-N -1 1 393.399 1.374 20 0 GDADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001589114548 956083880 /nfs/dbraw/zinc/08/38/80/956083880.db2.gz SLAFQYCPRORDKQ-FKIZINRSSA-N -1 1 380.404 1.797 20 0 GDADMM Nc1cc(F)ccc1C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001594663337 956551631 /nfs/dbraw/zinc/55/16/31/956551631.db2.gz HVWYNOOZPCXGKN-MNOVXSKESA-N -1 1 377.294 1.144 20 0 GDADMM CCN1CCN(c2ccc(CNC(=O)c3coc(/C=C/C(=O)[O-])c3)cn2)CC1 ZINC000901976150 956581175 /nfs/dbraw/zinc/58/11/75/956581175.db2.gz RIFFUZRYJSQJAX-GQCTYLIASA-N -1 1 384.436 1.844 20 0 GDADMM CN1CCN(Cc2ccc(NC(=O)[C@@H]3CO[C@@H](CCC(=O)[O-])C3)cc2)CC1 ZINC000901975489 956581331 /nfs/dbraw/zinc/58/13/31/956581331.db2.gz NWYABTCSJUVZSP-WMZOPIPTSA-N -1 1 375.469 1.642 20 0 GDADMM COC[C@]1(C(=O)[O-])CN(C(=O)[C@@H]2CCCCN2Cc2ccccc2)CCO1 ZINC001593971515 956623709 /nfs/dbraw/zinc/62/37/09/956623709.db2.gz HCDZWEZGGLZUFJ-PXNSSMCTSA-N -1 1 376.453 1.370 20 0 GDADMM CNc1ccc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])cc1F ZINC000902064116 956635813 /nfs/dbraw/zinc/63/58/13/956635813.db2.gz AHSRMMPIDKYKQT-VXGBXAGGSA-N -1 1 391.321 1.604 20 0 GDADMM CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC001589218576 956746301 /nfs/dbraw/zinc/74/63/01/956746301.db2.gz SKUBBSYUEMKION-QGZVFWFLSA-N -1 1 390.421 1.717 20 0 GDADMM COC(=O)C1CC2(C1)CN(C(=O)CN(C)CCc1ccccc1)C[C@H]2C(=O)[O-] ZINC000902741285 956784495 /nfs/dbraw/zinc/78/44/95/956784495.db2.gz ACEYBROBCIGXRJ-BATSVXPKSA-N -1 1 388.464 1.273 20 0 GDADMM COCCN(CCC(=O)[O-])[C@H](C)C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000903711817 956910315 /nfs/dbraw/zinc/91/03/15/956910315.db2.gz LRNYSPAXQIEMAV-HUUCEWRRSA-N -1 1 380.441 1.096 20 0 GDADMM COCCN(CCC(=O)[O-])[C@@H](C)C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000903711818 956911622 /nfs/dbraw/zinc/91/16/22/956911622.db2.gz LRNYSPAXQIEMAV-LSDHHAIUSA-N -1 1 380.441 1.096 20 0 GDADMM COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)NCCN2CCCC2)c1OC ZINC000013311598 957018508 /nfs/dbraw/zinc/01/85/08/957018508.db2.gz OCXCADUFPKHDSO-AATRIKPKSA-N -1 1 384.454 1.176 20 0 GDADMM C[C@@H]1CN(C(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)CC[C@@H]1C(=O)[O-] ZINC001329040426 957686596 /nfs/dbraw/zinc/68/65/96/957686596.db2.gz DIOCMRPYYJYDGX-ZBFHGGJFSA-N -1 1 396.532 1.365 20 0 GDADMM Cc1cc(C(=O)[O-])cc(C(=O)N(CCCN(C)C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC001594282318 957757957 /nfs/dbraw/zinc/75/79/57/957757957.db2.gz RCWMJULORWXGJO-MRXNPFEDSA-N -1 1 382.482 1.274 20 0 GDADMM CC[C@H](CNC(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1)C(=O)[O-] ZINC001341310962 957965011 /nfs/dbraw/zinc/96/50/11/957965011.db2.gz XGVSHDCBUHHMOB-AEFFLSMTSA-N -1 1 376.501 1.775 20 0 GDADMM Cc1cc(Cl)ccc1S(=O)(=O)NCCNCc1cc(C(=O)[O-])nn1C ZINC001594309503 958001252 /nfs/dbraw/zinc/00/12/52/958001252.db2.gz YRZMYVRTKCEBBC-UHFFFAOYSA-N -1 1 386.861 1.148 20 0 GDADMM C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1C[C@H](C(=O)[O-])C[C@H](c2cnn(C)c2)C1 ZINC001348944961 958085558 /nfs/dbraw/zinc/08/55/58/958085558.db2.gz RFDUNWBQUUTPNV-OEUWWYETSA-N -1 1 375.473 1.103 20 0 GDADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001603233903 972358651 /nfs/dbraw/zinc/35/86/51/972358651.db2.gz BXAYCNXKANZLET-MLGOLLRUSA-N -1 1 392.415 1.892 20 0 GDADMM CC(=O)c1cc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])cs1 ZINC001573355554 958574801 /nfs/dbraw/zinc/57/48/01/958574801.db2.gz CHMSQQXQGUQSSJ-KOLCDFICSA-N -1 1 392.355 1.687 20 0 GDADMM 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GDADMM O=c1nc(NC[C@H](CO)Cc2ccccc2Br)nc2[nH][n-]cc1-2 ZINC000428671990 532214453 /nfs/dbraw/zinc/21/44/53/532214453.db2.gz WOHZTRNIJWSKIG-SECBINFHSA-N -1 1 378.230 1.458 20 0 GDADMM Cc1nc(S(=O)(=O)[N-]CCOc2ncccc2F)c(Br)n1C ZINC000287795584 532241635 /nfs/dbraw/zinc/24/16/35/532241635.db2.gz LIFSAAGKDIIKMT-UHFFFAOYSA-N -1 1 393.238 1.382 20 0 GDADMM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2nc(C)n(C)c2Br)s1 ZINC000287798151 532242366 /nfs/dbraw/zinc/24/23/66/532242366.db2.gz LNJIMKUZNAXFIL-YFKPBYRVSA-N -1 1 380.293 1.690 20 0 GDADMM COC(=O)c1ncsc1S(=O)(=O)N[C@@H](CC(=O)[O-])c1ccsc1 ZINC000274948179 532244940 /nfs/dbraw/zinc/24/49/40/532244940.db2.gz SDVUGTRYCPNXOB-QMMMGPOBSA-N -1 1 376.437 1.486 20 0 GDADMM CN(Cc1c(F)cccc1Cl)S(=O)(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000274991219 532250578 /nfs/dbraw/zinc/25/05/78/532250578.db2.gz ZFSXZSQHFFMNCG-CYBMUJFWSA-N -1 1 390.824 1.164 20 0 GDADMM Cn1[nH]cnc1=NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000430590112 532252202 /nfs/dbraw/zinc/25/22/02/532252202.db2.gz GXWCGBDUSVXDRL-UHFFFAOYSA-N -1 1 382.605 1.747 20 0 GDADMM O=C([O-])[C@H](CN1CCCCC1)NS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000275033822 532255529 /nfs/dbraw/zinc/25/55/29/532255529.db2.gz UNFWWMFISMYNNV-ZDUSSCGKSA-N -1 1 380.388 1.923 20 0 GDADMM COc1cc(C)c(Br)cc1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000377400660 532258163 /nfs/dbraw/zinc/25/81/63/532258163.db2.gz QUBWJSHWPAYPJU-GFCCVEGCSA-N -1 1 382.218 1.493 20 0 GDADMM COc1cc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc(OC)c1C ZINC000431184914 532261455 /nfs/dbraw/zinc/26/14/55/532261455.db2.gz WCZKIIXLQITXBN-UHFFFAOYSA-N -1 1 386.451 1.460 20 0 GDADMM C[C@@H]1COCCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000377982042 532278842 /nfs/dbraw/zinc/27/88/42/532278842.db2.gz HLGWZVIMZPMIBO-JTQLQIEISA-N -1 1 381.281 1.767 20 0 GDADMM COC(=O)C(C)(C)CS(=O)(=O)[N-]C[C@](O)(c1ccccc1)C(F)(F)F ZINC000288283112 532279366 /nfs/dbraw/zinc/27/93/66/532279366.db2.gz IUHWHBWNKJIBLQ-AWEZNQCLSA-N -1 1 383.388 1.555 20 0 GDADMM COc1cc(Cl)c(S(=O)(=O)N2CCC[N@@H+](CC(=O)[O-])CC2)cc1Cl ZINC000275279590 532283096 /nfs/dbraw/zinc/28/30/96/532283096.db2.gz KWTGWTJUXMCRGL-UHFFFAOYSA-N -1 1 397.280 1.783 20 0 GDADMM COc1cc(Cl)c(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)cc1Cl ZINC000275279590 532283098 /nfs/dbraw/zinc/28/30/98/532283098.db2.gz KWTGWTJUXMCRGL-UHFFFAOYSA-N -1 1 397.280 1.783 20 0 GDADMM COc1cc(S(=O)(=O)[N-]CC(F)(F)CO)c(OC)cc1Br ZINC000275425584 532294505 /nfs/dbraw/zinc/29/45/05/532294505.db2.gz APNGFEXNRIYXHJ-UHFFFAOYSA-N -1 1 390.202 1.372 20 0 GDADMM COC(=O)C(C)(C)CS(=O)(=O)[N-]c1cccc(S(=O)(=O)C(F)F)c1 ZINC000288583125 532297472 /nfs/dbraw/zinc/29/74/72/532297472.db2.gz RSRHXHMEDIROLQ-UHFFFAOYSA-N -1 1 385.410 1.624 20 0 GDADMM Cc1nc([C@H](C)NS(=O)(=O)c2ccc(C(=O)[O-])cc2Br)n[nH]1 ZINC000392431813 532299537 /nfs/dbraw/zinc/29/95/37/532299537.db2.gz XTLCOLFZUJXCMI-LURJTMIESA-N -1 1 389.231 1.613 20 0 GDADMM CC(C)[C@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000289475163 532325313 /nfs/dbraw/zinc/32/53/13/532325313.db2.gz HQVQLUAVZWPFLL-KWQFWETISA-N -1 1 395.453 1.540 20 0 GDADMM COC(=O)[C@H]([N-]S(=O)(=O)[C@H]1CCO[C@@H]1C)c1ccc(Br)cc1 ZINC000275974668 532316680 /nfs/dbraw/zinc/31/66/80/532316680.db2.gz DCHYZLOQWBHKOM-JIMOISOXSA-N -1 1 392.271 1.760 20 0 GDADMM COC(=O)c1cc(Br)c(S(=O)(=O)NC2(C(=O)[O-])CC2)s1 ZINC000289555802 532327885 /nfs/dbraw/zinc/32/78/85/532327885.db2.gz DJVPEVAIQAUNGZ-UHFFFAOYSA-N -1 1 384.229 1.193 20 0 GDADMM CCN(C(=O)CSc1nc(C(F)F)cc(=O)[n-]1)[C@@H]1CCS(=O)(=O)C1 ZINC000289592673 532328733 /nfs/dbraw/zinc/32/87/33/532328733.db2.gz SGNLXZNAOHHNJX-MRVPVSSYSA-N -1 1 381.426 1.248 20 0 GDADMM COc1ccc(Br)cc1CC(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000289802087 532332284 /nfs/dbraw/zinc/33/22/84/532332284.db2.gz YOEZXCDMFRFOAH-JTQLQIEISA-N -1 1 395.257 1.818 20 0 GDADMM CN(C)S(=O)(=O)CC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000289934080 532334257 /nfs/dbraw/zinc/33/42/57/532334257.db2.gz PEMYEUNTDHAPFE-UHFFFAOYSA-N -1 1 379.262 1.302 20 0 GDADMM CNC(=O)C1(C(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)CC1 ZINC000736872141 598846816 /nfs/dbraw/zinc/84/68/16/598846816.db2.gz YPRMLLOMNJFPAU-UHFFFAOYSA-N -1 1 382.449 1.738 20 0 GDADMM Cc1nc(CCC(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)cs1 ZINC000737471201 598848262 /nfs/dbraw/zinc/84/82/62/598848262.db2.gz FCMSGSISKYLQSF-UHFFFAOYSA-N -1 1 390.425 1.956 20 0 GDADMM CCOC[C@H]1CCCN(C(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C1 ZINC000736609853 598864412 /nfs/dbraw/zinc/86/44/12/598864412.db2.gz UPZADORPRIPXLY-AWEZNQCLSA-N -1 1 388.472 1.792 20 0 GDADMM CCN(C(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C)c1ccncc1 ZINC000736505429 598892219 /nfs/dbraw/zinc/89/22/19/598892219.db2.gz NNUFSHAMEZPTTA-UHFFFAOYSA-N -1 1 391.439 1.907 20 0 GDADMM CCN(C(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C)c1ccncc1 ZINC000736505429 598892221 /nfs/dbraw/zinc/89/22/21/598892221.db2.gz NNUFSHAMEZPTTA-UHFFFAOYSA-N -1 1 391.439 1.907 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@@H](C)Cn1ccnc1 ZINC000737201558 598929961 /nfs/dbraw/zinc/92/99/61/598929961.db2.gz UJYBAKVYCUWYTR-LLVKDONJSA-N -1 1 384.444 1.166 20 0 GDADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc2c(c1)oc(=O)n2C ZINC000737301428 598931728 /nfs/dbraw/zinc/93/17/28/598931728.db2.gz MURSGZQYCJCVQY-UHFFFAOYSA-N -1 1 386.393 1.421 20 0 GDADMM COc1cc(OC)cc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2C)c1 ZINC000821728026 607255047 /nfs/dbraw/zinc/25/50/47/607255047.db2.gz QYUCNRDMIYNBNV-UHFFFAOYSA-N -1 1 375.410 1.993 20 0 GDADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC000738437717 598964399 /nfs/dbraw/zinc/96/43/99/598964399.db2.gz UDBPNCSDPHXAQF-ZDUSSCGKSA-N -1 1 391.395 1.648 20 0 GDADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC000738437717 598964400 /nfs/dbraw/zinc/96/44/00/598964400.db2.gz UDBPNCSDPHXAQF-ZDUSSCGKSA-N -1 1 391.395 1.648 20 0 GDADMM O=C([C@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1)N1CCCC1 ZINC000737792477 598969726 /nfs/dbraw/zinc/96/97/26/598969726.db2.gz QHLPZKHROLJYTQ-ZDUSSCGKSA-N -1 1 378.440 1.649 20 0 GDADMM O=C([C@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1)N1CCCC1 ZINC000737792477 598969728 /nfs/dbraw/zinc/96/97/28/598969728.db2.gz QHLPZKHROLJYTQ-ZDUSSCGKSA-N -1 1 378.440 1.649 20 0 GDADMM CCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736513611 598981913 /nfs/dbraw/zinc/98/19/13/598981913.db2.gz RQIJFPWWCHQQQU-UHFFFAOYSA-N -1 1 381.396 1.371 20 0 GDADMM CCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736513611 598981916 /nfs/dbraw/zinc/98/19/16/598981916.db2.gz RQIJFPWWCHQQQU-UHFFFAOYSA-N -1 1 381.396 1.371 20 0 GDADMM O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738038882 598982776 /nfs/dbraw/zinc/98/27/76/598982776.db2.gz KLHRPULBGCTDRE-AWEZNQCLSA-N -1 1 385.453 1.127 20 0 GDADMM O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738038882 598982778 /nfs/dbraw/zinc/98/27/78/598982778.db2.gz KLHRPULBGCTDRE-AWEZNQCLSA-N -1 1 385.453 1.127 20 0 GDADMM C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736198452 598984469 /nfs/dbraw/zinc/98/44/69/598984469.db2.gz IUHPGHUTCMYEBA-LBPRGKRZSA-N -1 1 375.396 1.676 20 0 GDADMM C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736198452 598984470 /nfs/dbraw/zinc/98/44/70/598984470.db2.gz IUHPGHUTCMYEBA-LBPRGKRZSA-N -1 1 375.396 1.676 20 0 GDADMM O=C(Nc1ccccc1)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000738191410 598985705 /nfs/dbraw/zinc/98/57/05/598985705.db2.gz JIVFMYMIBPKYFW-UHFFFAOYSA-N -1 1 377.408 1.753 20 0 GDADMM O=C(Nc1ccccc1)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000738191410 598985706 /nfs/dbraw/zinc/98/57/06/598985706.db2.gz JIVFMYMIBPKYFW-UHFFFAOYSA-N -1 1 377.408 1.753 20 0 GDADMM C[C@@H]1COC[C@H](C)N1CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000736293003 598993206 /nfs/dbraw/zinc/99/32/06/598993206.db2.gz MYRWBKUBUKGRPJ-BETUJISGSA-N -1 1 382.428 1.100 20 0 GDADMM C[C@@H]1COC[C@H](C)N1CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736293003 598993208 /nfs/dbraw/zinc/99/32/08/598993208.db2.gz MYRWBKUBUKGRPJ-BETUJISGSA-N -1 1 382.428 1.100 20 0 GDADMM C[C@@H]1CN(c2ccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)cn2)C[C@H](C)O1 ZINC000736292802 598992050 /nfs/dbraw/zinc/99/20/50/598992050.db2.gz LQVIDBCUOGJLJC-TXEJJXNPSA-N -1 1 380.412 1.523 20 0 GDADMM C[C@@H]1CN(c2ccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)cn2)C[C@H](C)O1 ZINC000736292802 598992052 /nfs/dbraw/zinc/99/20/52/598992052.db2.gz LQVIDBCUOGJLJC-TXEJJXNPSA-N -1 1 380.412 1.523 20 0 GDADMM Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c(OCC(=O)N(C)C)c1 ZINC000737361188 598997836 /nfs/dbraw/zinc/99/78/36/598997836.db2.gz WKDYMTPLQSJLIL-UHFFFAOYSA-N -1 1 381.396 1.289 20 0 GDADMM Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c(OCC(=O)N(C)C)c1 ZINC000737361188 598997838 /nfs/dbraw/zinc/99/78/38/598997838.db2.gz WKDYMTPLQSJLIL-UHFFFAOYSA-N -1 1 381.396 1.289 20 0 GDADMM COC(=O)CN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736923703 599004607 /nfs/dbraw/zinc/00/46/07/599004607.db2.gz SLBGYZOFYPFALS-UHFFFAOYSA-N -1 1 388.334 1.355 20 0 GDADMM COC(=O)CN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736923703 599004608 /nfs/dbraw/zinc/00/46/08/599004608.db2.gz SLBGYZOFYPFALS-UHFFFAOYSA-N -1 1 388.334 1.355 20 0 GDADMM COC(=O)CCCOc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736912455 599006133 /nfs/dbraw/zinc/00/61/33/599006133.db2.gz BPSAKIRADOZUPA-UHFFFAOYSA-N -1 1 382.380 1.846 20 0 GDADMM COC(=O)CCCOc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736912455 599006134 /nfs/dbraw/zinc/00/61/34/599006134.db2.gz BPSAKIRADOZUPA-UHFFFAOYSA-N -1 1 382.380 1.846 20 0 GDADMM Cc1cc(=O)oc2cc(OCCOC(=O)c3ccc(-c4nnn[n-]4)nc3)ccc12 ZINC000737225701 599015690 /nfs/dbraw/zinc/01/56/90/599015690.db2.gz GZNGRRUVEKTWDQ-UHFFFAOYSA-N -1 1 393.359 1.912 20 0 GDADMM Cc1cc(=O)oc2cc(OCCOC(=O)c3ccc(-c4nn[n-]n4)nc3)ccc12 ZINC000737225701 599015692 /nfs/dbraw/zinc/01/56/92/599015692.db2.gz GZNGRRUVEKTWDQ-UHFFFAOYSA-N -1 1 393.359 1.912 20 0 GDADMM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccc(-c4nn[nH]n4)cc3)cc21 ZINC000365278616 599017844 /nfs/dbraw/zinc/01/78/44/599017844.db2.gz MXLICFAIHHUMNS-UHFFFAOYSA-N -1 1 384.421 1.577 20 0 GDADMM CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735636055 599024582 /nfs/dbraw/zinc/02/45/82/599024582.db2.gz NKTXCJJFTZZAHL-CYBMUJFWSA-N -1 1 387.444 1.781 20 0 GDADMM CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735636055 599024584 /nfs/dbraw/zinc/02/45/84/599024584.db2.gz NKTXCJJFTZZAHL-CYBMUJFWSA-N -1 1 387.444 1.781 20 0 GDADMM O=C(Nc1ccc(F)cc1)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000738165057 599029196 /nfs/dbraw/zinc/02/91/96/599029196.db2.gz DHMNAHOQIGWJIF-AWEZNQCLSA-N -1 1 396.386 1.437 20 0 GDADMM O=C(Nc1ccc(F)cc1)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000738165057 599029198 /nfs/dbraw/zinc/02/91/98/599029198.db2.gz DHMNAHOQIGWJIF-AWEZNQCLSA-N -1 1 396.386 1.437 20 0 GDADMM O=C(N[C@@H](C(=O)Nc1cc[nH]n1)c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000737997531 599029972 /nfs/dbraw/zinc/02/99/72/599029972.db2.gz WTZDAVQBOZQCBC-OAHLLOKOSA-N -1 1 389.379 1.095 20 0 GDADMM O=C(N[C@@H](C(=O)Nc1cc[nH]n1)c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000737997531 599029975 /nfs/dbraw/zinc/02/99/75/599029975.db2.gz WTZDAVQBOZQCBC-OAHLLOKOSA-N -1 1 389.379 1.095 20 0 GDADMM O=C(CC1CCCC1)N1CCCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000737815567 599031941 /nfs/dbraw/zinc/03/19/41/599031941.db2.gz XWIAHCJTSKTFIN-UHFFFAOYSA-N -1 1 383.456 1.517 20 0 GDADMM O=C(CC1CCCC1)N1CCCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000737815567 599031943 /nfs/dbraw/zinc/03/19/43/599031943.db2.gz XWIAHCJTSKTFIN-UHFFFAOYSA-N -1 1 383.456 1.517 20 0 GDADMM NC(=O)C1(c2ccccc2)CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000737739775 599061333 /nfs/dbraw/zinc/06/13/33/599061333.db2.gz QKIFUMSZUFZDBG-UHFFFAOYSA-N -1 1 383.843 1.939 20 0 GDADMM NC(=O)C1(c2ccccc2)CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000737739775 599061335 /nfs/dbraw/zinc/06/13/35/599061335.db2.gz QKIFUMSZUFZDBG-UHFFFAOYSA-N -1 1 383.843 1.939 20 0 GDADMM CCCN(CC(=O)OCC)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821088780 599340803 /nfs/dbraw/zinc/34/08/03/599340803.db2.gz VYUNOXOIUWZZPA-UHFFFAOYSA-N -1 1 387.849 1.484 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC[C@H]1CCC[C@@H](O)C1 ZINC000737487437 599100912 /nfs/dbraw/zinc/10/09/12/599100912.db2.gz IWJHBJBGBYJLPS-UONOGXRCSA-N -1 1 398.471 1.126 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC[C@H]1CCC[C@@H](O)C1 ZINC000737487437 599100914 /nfs/dbraw/zinc/10/09/14/599100914.db2.gz IWJHBJBGBYJLPS-UONOGXRCSA-N -1 1 398.471 1.126 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000738258192 599110177 /nfs/dbraw/zinc/11/01/77/599110177.db2.gz HPLKYGFYFVUQKU-KRWDZBQOSA-N -1 1 382.399 1.987 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000738258192 599110179 /nfs/dbraw/zinc/11/01/79/599110179.db2.gz HPLKYGFYFVUQKU-KRWDZBQOSA-N -1 1 382.399 1.987 20 0 GDADMM Cn1ncnc1Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Br)ccc21 ZINC000822714950 599126583 /nfs/dbraw/zinc/12/65/83/599126583.db2.gz XBZWGAHNRDRXMH-UHFFFAOYSA-N -1 1 387.201 1.121 20 0 GDADMM NC(=O)[C@@H](OC(=O)c1c([O-])cc(F)cc1F)c1ccc(-c2nn[nH]n2)cc1 ZINC000737740768 599126779 /nfs/dbraw/zinc/12/67/79/599126779.db2.gz OIYHYOJGAFCLMJ-ZDUSSCGKSA-N -1 1 375.291 1.234 20 0 GDADMM Cc1ccccc1CN(C)C(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737428443 599139439 /nfs/dbraw/zinc/13/94/39/599139439.db2.gz XDHLQXUSBJCVGZ-ZDUSSCGKSA-N -1 1 380.408 1.774 20 0 GDADMM Cc1ccccc1CN(C)C(=O)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737428443 599139441 /nfs/dbraw/zinc/13/94/41/599139441.db2.gz XDHLQXUSBJCVGZ-ZDUSSCGKSA-N -1 1 380.408 1.774 20 0 GDADMM O=C(OCCCN1C(=O)c2ccccc2C1=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738219840 599142714 /nfs/dbraw/zinc/14/27/14/599142714.db2.gz FBZFPKXKXVSFHD-UHFFFAOYSA-N -1 1 378.348 1.105 20 0 GDADMM O=C(OCCCN1C(=O)c2ccccc2C1=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738219840 599142715 /nfs/dbraw/zinc/14/27/15/599142715.db2.gz FBZFPKXKXVSFHD-UHFFFAOYSA-N -1 1 378.348 1.105 20 0 GDADMM CC1(Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Br)ccc32)COC1 ZINC000736217390 599166814 /nfs/dbraw/zinc/16/68/14/599166814.db2.gz URRJCPGCVHRCEM-UHFFFAOYSA-N -1 1 376.214 1.981 20 0 GDADMM Fc1cccc(Sc2nnnn2-c2ccc3c(c2)OCCO3)c1-c1nn[n-]n1 ZINC000737665654 599207168 /nfs/dbraw/zinc/20/71/68/599207168.db2.gz SZEUDJGVFPZACZ-UHFFFAOYSA-N -1 1 398.383 1.904 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CCOC[C@@H]2c2ccco2)cc1-c1nn[n-]n1 ZINC000737185722 599214781 /nfs/dbraw/zinc/21/47/81/599214781.db2.gz BWZNDDFPUQOGFW-LLVKDONJSA-N -1 1 388.409 1.496 20 0 GDADMM CN1CCN(c2cc(CNC(=O)N3CCC[C@@H](CC(=O)[O-])C3)ccn2)CC1 ZINC000818482456 597057366 /nfs/dbraw/zinc/05/73/66/597057366.db2.gz WRWLFZINDUDNDH-INIZCTEOSA-N -1 1 375.473 1.230 20 0 GDADMM C[C@@H](NC(=O)CNC(=O)CN1CCC[C@H](CC(=O)[O-])C1)c1ccc(F)cc1 ZINC000532881136 597069276 /nfs/dbraw/zinc/06/92/76/597069276.db2.gz IQZMKSPHVHSUKJ-ZIAGYGMSSA-N -1 1 379.432 1.306 20 0 GDADMM O=C([O-])Cc1ccccc1NS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000819626300 597316570 /nfs/dbraw/zinc/31/65/70/597316570.db2.gz PWFAHOXVMSTSGU-UHFFFAOYSA-N -1 1 377.422 1.679 20 0 GDADMM O=C([O-])[C@@H]1CN(C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)CCO1 ZINC000738546835 597413997 /nfs/dbraw/zinc/41/39/97/597413997.db2.gz QUHIUNLHZHTQND-CVEARBPZSA-N -1 1 381.860 1.972 20 0 GDADMM O=C([C@@H]1CCCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1)N1CCOCC1 ZINC000737793236 599265161 /nfs/dbraw/zinc/26/51/61/599265161.db2.gz WWFWLVGOAZARHL-CQSZACIVSA-N -1 1 393.451 1.490 20 0 GDADMM O=C([C@@H]1CCCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1)N1CCOCC1 ZINC000737793236 599265163 /nfs/dbraw/zinc/26/51/63/599265163.db2.gz WWFWLVGOAZARHL-CQSZACIVSA-N -1 1 393.451 1.490 20 0 GDADMM CN(C)c1cccc([C@H]2CCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736781010 599273211 /nfs/dbraw/zinc/27/32/11/599273211.db2.gz UGIGTZKBLNCFOJ-QGZVFWFLSA-N -1 1 399.480 1.854 20 0 GDADMM CN(C)c1cccc([C@H]2CCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736781010 599273212 /nfs/dbraw/zinc/27/32/12/599273212.db2.gz UGIGTZKBLNCFOJ-QGZVFWFLSA-N -1 1 399.480 1.854 20 0 GDADMM CC[C@H](C)[C@H](NCC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)C(=O)[O-] ZINC000820459825 598187959 /nfs/dbraw/zinc/18/79/59/598187959.db2.gz YUEKITCBXBQCDX-YJBOKZPZSA-N -1 1 381.517 1.717 20 0 GDADMM CNS(=O)(=O)c1cccc(NC(=O)CNCc2cccc(C(=O)[O-])c2)c1 ZINC000820645685 598203638 /nfs/dbraw/zinc/20/36/38/598203638.db2.gz PRFJYYVXRGTCAI-UHFFFAOYSA-N -1 1 377.422 1.021 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC(Cc2ccccc2)CC1 ZINC000738356113 598260171 /nfs/dbraw/zinc/26/01/71/598260171.db2.gz WZVUTQNNKFYGLN-UHFFFAOYSA-N -1 1 384.465 1.905 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC(Cc2ccccc2)CC1 ZINC000738356113 598260172 /nfs/dbraw/zinc/26/01/72/598260172.db2.gz WZVUTQNNKFYGLN-UHFFFAOYSA-N -1 1 384.465 1.905 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCc2cc(F)ccc2F)cc1-c1nn[n-]n1 ZINC000737188133 598260735 /nfs/dbraw/zinc/26/07/35/598260735.db2.gz ZYYUNOMMJHNYAA-UHFFFAOYSA-N -1 1 378.364 1.897 20 0 GDADMM O=S(=O)(N[C@H](c1ccco1)c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738328568 598262157 /nfs/dbraw/zinc/26/21/57/598262157.db2.gz IBKYUOWNPZZHMS-INIZCTEOSA-N -1 1 382.405 1.923 20 0 GDADMM O=S(=O)(N[C@H](c1ccco1)c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738328568 598262159 /nfs/dbraw/zinc/26/21/59/598262159.db2.gz IBKYUOWNPZZHMS-INIZCTEOSA-N -1 1 382.405 1.923 20 0 GDADMM COc1ccc(Cl)cc1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737098836 598265479 /nfs/dbraw/zinc/26/54/79/598265479.db2.gz GCRKVDFKMRLPJR-UHFFFAOYSA-N -1 1 380.817 1.402 20 0 GDADMM COc1ccc(Cl)cc1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737098836 598265480 /nfs/dbraw/zinc/26/54/80/598265480.db2.gz GCRKVDFKMRLPJR-UHFFFAOYSA-N -1 1 380.817 1.402 20 0 GDADMM CCOC(=O)CCCCCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736591335 598266737 /nfs/dbraw/zinc/26/67/37/598266737.db2.gz ALSTXMGWJZTTRV-UHFFFAOYSA-N -1 1 382.446 1.054 20 0 GDADMM CCOC(=O)CCCCCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736591335 598266738 /nfs/dbraw/zinc/26/67/38/598266738.db2.gz ALSTXMGWJZTTRV-UHFFFAOYSA-N -1 1 382.446 1.054 20 0 GDADMM C[C@@H](COc1ccc(F)cc1F)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736039019 598268150 /nfs/dbraw/zinc/26/81/50/598268150.db2.gz YXWLTWFBHFAWQB-VIFPVBQESA-N -1 1 396.379 1.286 20 0 GDADMM C[C@@H](COc1ccc(F)cc1F)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736039019 598268151 /nfs/dbraw/zinc/26/81/51/598268151.db2.gz YXWLTWFBHFAWQB-VIFPVBQESA-N -1 1 396.379 1.286 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N(Cc1ccc(F)cc1F)C1CC1 ZINC000738354769 598268548 /nfs/dbraw/zinc/26/85/48/598268548.db2.gz KQLQRNKWSVQRSF-UHFFFAOYSA-N -1 1 392.391 1.893 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N(Cc1ccc(F)cc1F)C1CC1 ZINC000738354769 598268551 /nfs/dbraw/zinc/26/85/51/598268551.db2.gz KQLQRNKWSVQRSF-UHFFFAOYSA-N -1 1 392.391 1.893 20 0 GDADMM COc1cccc2c1OCC[C@@H]2NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737141334 598273842 /nfs/dbraw/zinc/27/38/42/598273842.db2.gz BFFQZKHKEKTHLW-LBPRGKRZSA-N -1 1 388.409 1.072 20 0 GDADMM COc1cccc2c1OCC[C@@H]2NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737141334 598273844 /nfs/dbraw/zinc/27/38/44/598273844.db2.gz BFFQZKHKEKTHLW-LBPRGKRZSA-N -1 1 388.409 1.072 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)Nc2cc(-c3ccncc3)[nH]n2)cc1-c1nn[n-]n1 ZINC000737188026 598286973 /nfs/dbraw/zinc/28/69/73/598286973.db2.gz WFRVLKASENHGGL-UHFFFAOYSA-N -1 1 395.408 1.727 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(Nc2ccc(NCC3CCCC3)cc2)n(C)c1=O ZINC000737597555 598313254 /nfs/dbraw/zinc/31/32/54/598313254.db2.gz SDGFVQSGBUQTIZ-UHFFFAOYSA-N -1 1 396.455 1.610 20 0 GDADMM O=C(CN1CCN(c2nccnc2-c2nnn[n-]2)CC1)Nc1ccccc1Cl ZINC000737880598 598337821 /nfs/dbraw/zinc/33/78/21/598337821.db2.gz AMDPGVZVKWKBRR-UHFFFAOYSA-N -1 1 399.846 1.071 20 0 GDADMM O=C(CN1CCN(c2nccnc2-c2nn[n-]n2)CC1)Nc1ccccc1Cl ZINC000737880598 598337823 /nfs/dbraw/zinc/33/78/23/598337823.db2.gz AMDPGVZVKWKBRR-UHFFFAOYSA-N -1 1 399.846 1.071 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCc2ncc(Cl)n2C)cc1-c1nn[n-]n1 ZINC000737188071 598358085 /nfs/dbraw/zinc/35/80/85/598358085.db2.gz XTJKFUZPOCXCKM-UHFFFAOYSA-N -1 1 380.821 1.006 20 0 GDADMM CCOC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736602501 598360673 /nfs/dbraw/zinc/36/06/73/598360673.db2.gz LXFBCXPMHMJJJT-UHFFFAOYSA-N -1 1 388.409 1.264 20 0 GDADMM CCOC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736602501 598360676 /nfs/dbraw/zinc/36/06/76/598360676.db2.gz LXFBCXPMHMJJJT-UHFFFAOYSA-N -1 1 388.409 1.264 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCc1cn2c(n1)CCCC2 ZINC000737198989 598385268 /nfs/dbraw/zinc/38/52/68/598385268.db2.gz FGTDZPIMALBGLR-UHFFFAOYSA-N -1 1 396.455 1.366 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N(CC(F)F)C1CC1 ZINC000737488180 598403418 /nfs/dbraw/zinc/40/34/18/598403418.db2.gz QGUKUZSNZJWCGE-UHFFFAOYSA-N -1 1 390.398 1.715 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N(CC(F)F)C1CC1 ZINC000737488180 598403419 /nfs/dbraw/zinc/40/34/19/598403419.db2.gz QGUKUZSNZJWCGE-UHFFFAOYSA-N -1 1 390.398 1.715 20 0 GDADMM Cc1cc([N-]S(=O)(=O)c2ccccc2-c2nn[nH]n2)n(-c2ccccn2)n1 ZINC000737281096 598438042 /nfs/dbraw/zinc/43/80/42/598438042.db2.gz PKSGIVRTEHQZIL-UHFFFAOYSA-N -1 1 382.409 1.557 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000738353785 598465032 /nfs/dbraw/zinc/46/50/32/598465032.db2.gz GWTBAWUFLXCOLJ-OAHLLOKOSA-N -1 1 390.400 1.163 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000738353785 598465034 /nfs/dbraw/zinc/46/50/34/598465034.db2.gz GWTBAWUFLXCOLJ-OAHLLOKOSA-N -1 1 390.400 1.163 20 0 GDADMM CCOC(=O)Nc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736603317 598469947 /nfs/dbraw/zinc/46/99/47/598469947.db2.gz NPELAEAQKPOPBW-UHFFFAOYSA-N -1 1 390.381 1.598 20 0 GDADMM CCOC(=O)Nc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736603317 598469948 /nfs/dbraw/zinc/46/99/48/598469948.db2.gz NPELAEAQKPOPBW-UHFFFAOYSA-N -1 1 390.381 1.598 20 0 GDADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000736950004 598470768 /nfs/dbraw/zinc/47/07/68/598470768.db2.gz WXZROMUOIHENKI-SECBINFHSA-N -1 1 377.382 1.286 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@H](C)c2csc(C)n2)cc1-c1nn[n-]n1 ZINC000737188086 598474341 /nfs/dbraw/zinc/47/43/41/598474341.db2.gz YGEMSIXDUGBRBV-ZCFIWIBFSA-N -1 1 377.455 1.945 20 0 GDADMM C[C@H]1C[C@H]1NC(=O)C1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000736241304 598501027 /nfs/dbraw/zinc/50/10/27/598501027.db2.gz WWHSHKXNJPTVER-CMPLNLGQSA-N -1 1 383.412 1.856 20 0 GDADMM Cc1cc(C)n(C[C@@H]2CN(c3snc(Cl)c3-c3nnn[n-]3)CCO2)n1 ZINC000737258011 598544897 /nfs/dbraw/zinc/54/48/97/598544897.db2.gz XFTKZKFDRLAHNH-JTQLQIEISA-N -1 1 380.865 1.695 20 0 GDADMM Cc1cc(C)n(C[C@@H]2CN(c3snc(Cl)c3-c3nn[n-]n3)CCO2)n1 ZINC000737258011 598544898 /nfs/dbraw/zinc/54/48/98/598544898.db2.gz XFTKZKFDRLAHNH-JTQLQIEISA-N -1 1 380.865 1.695 20 0 GDADMM Cc1cc(C)cc(C2=NC(=Cc3cnc4c(-c5nnn[n-]5)cnn4c3)C(=O)O2)c1 ZINC000737254480 598567051 /nfs/dbraw/zinc/56/70/51/598567051.db2.gz XXSGLBGJQFNXNE-UUASQNMZSA-N -1 1 386.375 1.871 20 0 GDADMM Cc1cc(C)cc(C2=NC(=Cc3cnc4c(-c5nn[n-]n5)cnn4c3)C(=O)O2)c1 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O=C([O-])c1ccc(F)c(NC(=O)C(=O)NCc2nc(-c3ccccc3)n[nH]2)c1 ZINC000739450642 600341492 /nfs/dbraw/zinc/34/14/92/600341492.db2.gz RRZBPGUEGPNWNJ-UHFFFAOYSA-N -1 1 383.339 1.564 20 0 GDADMM O=C([O-])Cc1ccc(NC(=O)C(=O)NCc2n[nH]c(-c3ccccc3)n2)cc1 ZINC000739876748 600341735 /nfs/dbraw/zinc/34/17/35/600341735.db2.gz IVHSUQZKMWGCQV-UHFFFAOYSA-N -1 1 379.376 1.354 20 0 GDADMM O=C([O-])Cc1ccc(NC(=O)C(=O)NCc2nc(-c3ccccc3)n[nH]2)cc1 ZINC000739876748 600341738 /nfs/dbraw/zinc/34/17/38/600341738.db2.gz IVHSUQZKMWGCQV-UHFFFAOYSA-N -1 1 379.376 1.354 20 0 GDADMM O=C([O-])CCc1ccc(NC(=O)C(=O)NCc2n[nH]c(-c3ccccc3)n2)cc1 ZINC000739753249 600341755 /nfs/dbraw/zinc/34/17/55/600341755.db2.gz PWVPOQDVSWYIIM-UHFFFAOYSA-N -1 1 393.403 1.744 20 0 GDADMM O=C([O-])CCc1ccc(NC(=O)C(=O)NCc2nc(-c3ccccc3)n[nH]2)cc1 ZINC000739753249 600341759 /nfs/dbraw/zinc/34/17/59/600341759.db2.gz PWVPOQDVSWYIIM-UHFFFAOYSA-N -1 1 393.403 1.744 20 0 GDADMM CC[C@@H]1CN(C(=O)NCc2cccc(OCC(=O)[O-])c2)CCN1CCOC ZINC000736937907 600358524 /nfs/dbraw/zinc/35/85/24/600358524.db2.gz IBKVQQRBPMAMSX-MRXNPFEDSA-N -1 1 379.457 1.402 20 0 GDADMM COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)CCN(C)[C@@H]1CCN(C)C1=O ZINC000737648011 600438237 /nfs/dbraw/zinc/43/82/37/600438237.db2.gz CXELNVSFSDSZDN-SNVBAGLBSA-N -1 1 397.453 1.032 20 0 GDADMM Cc1cccc(NC(=O)NC(=O)CN(CCC(=O)[O-])C[C@@H]2CCCO2)c1C ZINC000738734348 600511032 /nfs/dbraw/zinc/51/10/32/600511032.db2.gz KPGRNEIZOOBEFK-HNNXBMFYSA-N -1 1 377.441 1.907 20 0 GDADMM CC(C)CN1CCO[C@H](CNC(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)C1 ZINC000736442524 600567197 /nfs/dbraw/zinc/56/71/97/600567197.db2.gz GVBVSBDCBKSONU-CYBMUJFWSA-N -1 1 375.429 1.739 20 0 GDADMM COc1ccc(S(=O)(=O)NC[C@H](Cc2ccccc2)N(C)C)cc1C(=O)[O-] ZINC000738060083 600576205 /nfs/dbraw/zinc/57/62/05/600576205.db2.gz MRVCALMURHNWMH-HNNXBMFYSA-N -1 1 392.477 1.845 20 0 GDADMM CN1CCN(C(C)(C)CNC(=O)Nc2nnc(CCCC(=O)[O-])s2)CC1 ZINC000737526364 600632742 /nfs/dbraw/zinc/63/27/42/600632742.db2.gz MMHXPJJCIUPGNW-UHFFFAOYSA-N -1 1 384.506 1.093 20 0 GDADMM O=C([O-])c1csc(S(=O)(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)c1 ZINC000740272474 600650803 /nfs/dbraw/zinc/65/08/03/600650803.db2.gz VJBMPUOAGGPCKC-UHFFFAOYSA-N -1 1 382.398 1.849 20 0 GDADMM O=C([O-])c1csc(S(=O)(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)c1 ZINC000740272474 600650804 /nfs/dbraw/zinc/65/08/04/600650804.db2.gz VJBMPUOAGGPCKC-UHFFFAOYSA-N -1 1 382.398 1.849 20 0 GDADMM O=C([O-])CN(Cc1ccccc1)C(=O)CCN1CCN(c2ccccn2)CC1 ZINC000739796470 600658227 /nfs/dbraw/zinc/65/82/27/600658227.db2.gz FZQRGAKEYKHULP-UHFFFAOYSA-N -1 1 382.464 1.707 20 0 GDADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)c[nH]1 ZINC000392091916 600672244 /nfs/dbraw/zinc/67/22/44/600672244.db2.gz BWGBRFJIAFPDDR-UHFFFAOYSA-N -1 1 380.350 1.510 20 0 GDADMM CCOCCCNC(=O)c1cccc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000299584840 600675211 /nfs/dbraw/zinc/67/52/11/600675211.db2.gz JXRIZJZCCLHYJG-UHFFFAOYSA-N -1 1 395.437 1.670 20 0 GDADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)cs1 ZINC000606827542 600683362 /nfs/dbraw/zinc/68/33/62/600683362.db2.gz RKENDYAFXZPQRV-SNVBAGLBSA-N -1 1 394.430 1.452 20 0 GDADMM CCCc1nc([C@@H]2CN(S(=O)(=O)c3cc(C(=O)[O-])ccc3C)CCO2)n[nH]1 ZINC000829571774 600788491 /nfs/dbraw/zinc/78/84/91/600788491.db2.gz WFHKCKMCHOYYOW-ZDUSSCGKSA-N -1 1 394.453 1.526 20 0 GDADMM CCCc1n[nH]c([C@@H]2CN(S(=O)(=O)c3cc(C(=O)[O-])ccc3C)CCO2)n1 ZINC000829571774 600788493 /nfs/dbraw/zinc/78/84/93/600788493.db2.gz WFHKCKMCHOYYOW-ZDUSSCGKSA-N -1 1 394.453 1.526 20 0 GDADMM CCN1CC[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])cc2Br)C1 ZINC000389309193 600792662 /nfs/dbraw/zinc/79/26/62/600792662.db2.gz NEMAALHRBDVBQY-JTQLQIEISA-N -1 1 377.260 1.520 20 0 GDADMM COCCN1CC[C@H](NC(=O)C(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])C1 ZINC000831740659 600857453 /nfs/dbraw/zinc/85/74/53/600857453.db2.gz IYJSMZLUVHTSKC-NSHDSACASA-N -1 1 397.497 1.519 20 0 GDADMM COc1cc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc(NS(C)(=O)=O)c1OC ZINC000262654567 600874109 /nfs/dbraw/zinc/87/41/09/600874109.db2.gz KHIKPMCDUZOIIP-SNVBAGLBSA-N -1 1 386.426 1.012 20 0 GDADMM CN1CCN(Cc2cccc(C(=O)N(CCC(=O)[O-])C[C@@H]3CCCO3)c2)CC1 ZINC000830955000 600954937 /nfs/dbraw/zinc/95/49/37/600954937.db2.gz WHAHXFRNUNXGPK-IBGZPJMESA-N -1 1 389.496 1.530 20 0 GDADMM NC(=O)c1ccc(N2CCCC2)c(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000833085975 600981368 /nfs/dbraw/zinc/98/13/68/600981368.db2.gz ZKHBBLRJAOLUGF-UHFFFAOYSA-N -1 1 378.410 1.213 20 0 GDADMM COc1cc(C(C)=O)ccc1OC[C@H](O)CN1CCSC[C@@H]1CC(=O)[O-] ZINC000582790692 601015481 /nfs/dbraw/zinc/01/54/81/601015481.db2.gz ACXKGBYKVKIEGG-LSDHHAIUSA-N -1 1 383.466 1.530 20 0 GDADMM CCCc1nnc([C@H]2CN(CC(=O)NC3(C(=O)[O-])CCCCC3)CCO2)[nH]1 ZINC000829570130 601027643 /nfs/dbraw/zinc/02/76/43/601027643.db2.gz BGPNRDCGAGVFLQ-CYBMUJFWSA-N -1 1 379.461 1.034 20 0 GDADMM CCCc1n[nH]c([C@H]2CN(CC(=O)NC3(C(=O)[O-])CCCCC3)CCO2)n1 ZINC000829570130 601027644 /nfs/dbraw/zinc/02/76/44/601027644.db2.gz BGPNRDCGAGVFLQ-CYBMUJFWSA-N -1 1 379.461 1.034 20 0 GDADMM Cc1c(S(=O)(=O)Nc2cnn(CC(=O)[O-])c2)cnn1-c1ccc(Cl)cc1 ZINC000738305292 601047214 /nfs/dbraw/zinc/04/72/14/601047214.db2.gz MDISRQMDRZRIDZ-UHFFFAOYSA-N -1 1 395.828 1.916 20 0 GDADMM Cn1nnnc1-c1cccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)c1 ZINC000436995678 601048114 /nfs/dbraw/zinc/04/81/14/601048114.db2.gz RIUFUFNHGJQVKH-UHFFFAOYSA-N -1 1 375.366 1.082 20 0 GDADMM COc1cc(C(=O)[O-])cc(NC(=O)N2CCN(CC(C)(C)O)CC2)c1OC ZINC000831897439 601083787 /nfs/dbraw/zinc/08/37/87/601083787.db2.gz RBRQUYKDKGHXOP-UHFFFAOYSA-N -1 1 381.429 1.322 20 0 GDADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)[C@@H]2CCN(c3ccc(F)cc3)C2=O)CC1 ZINC000630226199 601088206 /nfs/dbraw/zinc/08/82/06/601088206.db2.gz YNSWFEBMCPKEOE-BBRMVZONSA-N -1 1 377.416 1.186 20 0 GDADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2cccc(CN3CCCC3=O)c2)CC1 ZINC000827369456 601127462 /nfs/dbraw/zinc/12/74/62/601127462.db2.gz YPPHETACTGTOOA-HNNXBMFYSA-N -1 1 388.468 1.822 20 0 GDADMM COCCOc1cc(NC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)ccc1OC ZINC000831767634 601127738 /nfs/dbraw/zinc/12/77/38/601127738.db2.gz PXZCYPXHQXHFAY-CQSZACIVSA-N -1 1 395.456 1.733 20 0 GDADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2cccc(N3CCNC3=O)c2)CC1 ZINC000827369473 601127877 /nfs/dbraw/zinc/12/78/77/601127877.db2.gz ZALWKRXQNGXMPX-CYBMUJFWSA-N -1 1 375.429 1.229 20 0 GDADMM COc1ccc(C(=O)N(C)C)cc1NC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000832157804 601130849 /nfs/dbraw/zinc/13/08/49/601130849.db2.gz YINRRQDVCDAXFE-ZDUSSCGKSA-N -1 1 392.456 1.410 20 0 GDADMM COC(=O)CCc1ccc(NC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1 ZINC000831160081 601132945 /nfs/dbraw/zinc/13/29/45/601132945.db2.gz MYBFZOWOZBGFHS-AWEZNQCLSA-N -1 1 377.441 1.805 20 0 GDADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc(N3CCO[C@H](C)C3)cc2)CC1 ZINC000828493288 601133536 /nfs/dbraw/zinc/13/35/36/601133536.db2.gz BENOFMMPZDPIOI-JKSUJKDBSA-N -1 1 390.484 1.924 20 0 GDADMM O=C([O-])c1ccsc1N1CC[C@@H](NC(=O)N2CCN(CC3CC3)CC2)C1=O ZINC000833342234 601153660 /nfs/dbraw/zinc/15/36/60/601153660.db2.gz WDMVCXACLWRSJM-CQSZACIVSA-N -1 1 392.481 1.289 20 0 GDADMM O=C([O-])c1ccsc1N1CC[C@H](NC(=O)N2CCN3CCCC[C@H]3C2)C1=O ZINC000833341859 601154651 /nfs/dbraw/zinc/15/46/51/601154651.db2.gz RNDFXASCRNDOJF-JSGCOSHPSA-N -1 1 392.481 1.431 20 0 GDADMM O=C([O-])c1cc(S(=O)(=O)NCc2n[nH]c(-c3ccccc3)n2)ccc1F ZINC000738674399 601233884 /nfs/dbraw/zinc/23/38/84/601233884.db2.gz WHNZLGIUEOHBJC-UHFFFAOYSA-N -1 1 376.369 1.788 20 0 GDADMM O=C([O-])c1cc(S(=O)(=O)NCc2nc(-c3ccccc3)n[nH]2)ccc1F ZINC000738674399 601233886 /nfs/dbraw/zinc/23/38/86/601233886.db2.gz WHNZLGIUEOHBJC-UHFFFAOYSA-N -1 1 376.369 1.788 20 0 GDADMM CC(C)CN1CCO[C@H](CNC(=O)CNc2ccc(CNC(=O)[O-])cc2)C1 ZINC000826885624 601249856 /nfs/dbraw/zinc/24/98/56/601249856.db2.gz FFCLSULSKIOYBA-QGZVFWFLSA-N -1 1 378.473 1.339 20 0 GDADMM CN(C)CCCN(C(=O)CCc1ccc(C(=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000830601038 601297032 /nfs/dbraw/zinc/29/70/32/601297032.db2.gz SFNUVRQHIYCZJR-QGZVFWFLSA-N -1 1 396.509 1.285 20 0 GDADMM COC(=O)c1cc(NC(=O)N2CCN(C3CCOCC3)CC2)cc(C(=O)[O-])c1 ZINC000831289684 601299506 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ZINC000832860493 601675433 /nfs/dbraw/zinc/67/54/33/601675433.db2.gz DCLBEFIUAQTXKI-UHFFFAOYSA-N -1 1 390.480 1.951 20 0 GDADMM Cc1cc(C(=O)N2CCOCC2)ccc1N(C)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826258854 607522545 /nfs/dbraw/zinc/52/25/45/607522545.db2.gz ZCPDPDKXWCXZAA-UHFFFAOYSA-N -1 1 393.451 1.679 20 0 GDADMM Cc1cc(C(=O)N2CCOCC2)ccc1N(C)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826258854 607522546 /nfs/dbraw/zinc/52/25/46/607522546.db2.gz ZCPDPDKXWCXZAA-UHFFFAOYSA-N -1 1 393.451 1.679 20 0 GDADMM O=C([O-])C[C@@H]1CN(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)CCO1 ZINC000833218709 601768426 /nfs/dbraw/zinc/76/84/26/601768426.db2.gz ZPMJBSBFEXYTKI-QGZVFWFLSA-N -1 1 379.432 1.675 20 0 GDADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2cccn(Cc3ccccc3)c2=O)CC1 ZINC000827374936 601799134 /nfs/dbraw/zinc/79/91/34/601799134.db2.gz OODLURBKWWLENA-MRXNPFEDSA-N -1 1 398.463 1.909 20 0 GDADMM CCCc1nc([C@@H]2CN(C(=O)NCCc3ccc(C(=O)[O-])cc3)CCO2)n[nH]1 ZINC000829570121 601803777 /nfs/dbraw/zinc/80/37/77/601803777.db2.gz BAWDXAIKDNIVDP-HNNXBMFYSA-N -1 1 387.440 1.781 20 0 GDADMM CCCc1n[nH]c([C@@H]2CN(C(=O)NCCc3ccc(C(=O)[O-])cc3)CCO2)n1 ZINC000829570121 601803779 /nfs/dbraw/zinc/80/37/79/601803779.db2.gz BAWDXAIKDNIVDP-HNNXBMFYSA-N -1 1 387.440 1.781 20 0 GDADMM O=C([O-])c1c(F)cccc1S(=O)(=O)Nc1cccnc1N1CCOCC1 ZINC000833294772 601848159 /nfs/dbraw/zinc/84/81/59/601848159.db2.gz VCQJJMANFGOZTM-UHFFFAOYSA-N -1 1 381.385 1.556 20 0 GDADMM CN(C(=O)[O-])[C@H]1CCCN(C(=O)CCn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000739577992 601900545 /nfs/dbraw/zinc/90/05/45/601900545.db2.gz IPXFIIMCGYBNRI-LBPRGKRZSA-N -1 1 390.465 1.676 20 0 GDADMM O=C([O-])NC[C@H]1CCN(CC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)C1 ZINC000740642186 601936418 /nfs/dbraw/zinc/93/64/18/601936418.db2.gz LXJCBGIVHPEQHK-MRXNPFEDSA-N -1 1 394.903 1.574 20 0 GDADMM C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)N1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000738620484 601970972 /nfs/dbraw/zinc/97/09/72/601970972.db2.gz ULKCUGRLNSEHFI-JKSUJKDBSA-N -1 1 390.484 1.504 20 0 GDADMM O=C([O-])Nc1cc(C(=O)N2CCO[C@@H](c3nn[nH]n3)C2)cc(C(F)(F)F)c1 ZINC000833281565 602005927 /nfs/dbraw/zinc/00/59/27/602005927.db2.gz LCFFLLIUWLEFRZ-SNVBAGLBSA-N -1 1 386.290 1.522 20 0 GDADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccccc2O[C@@H]2CCOC2)CC1 ZINC000827369409 602024249 /nfs/dbraw/zinc/02/42/49/602024249.db2.gz XHUNCOWZILAEED-LSDHHAIUSA-N -1 1 377.441 1.867 20 0 GDADMM C[C@H](c1ccccc1)N1C(=O)C(=O)N(Cc2ccnc(-c3nnn[n-]3)c2)C1=O ZINC000824770800 607543330 /nfs/dbraw/zinc/54/33/30/607543330.db2.gz MQMARFRXPWCUCZ-LLVKDONJSA-N -1 1 377.364 1.314 20 0 GDADMM C[C@H](c1ccccc1)N1C(=O)C(=O)N(Cc2ccnc(-c3nn[n-]n3)c2)C1=O ZINC000824770800 607543332 /nfs/dbraw/zinc/54/33/32/607543332.db2.gz MQMARFRXPWCUCZ-LLVKDONJSA-N -1 1 377.364 1.314 20 0 GDADMM CN1CCN(c2cc(CNC(=O)N3CCC[C@H](CNC(=O)[O-])C3)ccn2)CC1 ZINC000739737353 602082338 /nfs/dbraw/zinc/08/23/38/602082338.db2.gz XSJPOLAHOYFCBX-MRXNPFEDSA-N -1 1 390.488 1.023 20 0 GDADMM COC[C@](C)(CC(=O)[O-])NC(=O)Nc1ccc(N2CCN(C)CC2)cc1C ZINC000831558533 602132489 /nfs/dbraw/zinc/13/24/89/602132489.db2.gz HOKAHWPPYLKAJL-IBGZPJMESA-N -1 1 378.473 1.748 20 0 GDADMM COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)N2CCC[C@H]2CN(C)C)c1OC ZINC000831972228 602140125 /nfs/dbraw/zinc/14/01/25/602140125.db2.gz HEAOIZDONUYORL-DANTVBBOSA-N -1 1 398.481 1.516 20 0 GDADMM O=C(c1ccc(NCc2ccnc(-c3nnn[n-]3)c2)cc1Cl)N1CCOCC1 ZINC000826473212 607549599 /nfs/dbraw/zinc/54/95/99/607549599.db2.gz PBPXFHWWAGKVQJ-UHFFFAOYSA-N -1 1 399.842 2.000 20 0 GDADMM O=C(c1ccc(NCc2ccnc(-c3nn[n-]n3)c2)cc1Cl)N1CCOCC1 ZINC000826473212 607549602 /nfs/dbraw/zinc/54/96/02/607549602.db2.gz PBPXFHWWAGKVQJ-UHFFFAOYSA-N -1 1 399.842 2.000 20 0 GDADMM O=C(Cc1ccc(NCc2ccnc(-c3nnn[n-]3)c2)cc1)N1CCSCC1 ZINC000826422466 607552691 /nfs/dbraw/zinc/55/26/91/607552691.db2.gz AABBBALZHNDAIX-UHFFFAOYSA-N -1 1 395.492 1.992 20 0 GDADMM O=C(Cc1ccc(NCc2ccnc(-c3nn[n-]n3)c2)cc1)N1CCSCC1 ZINC000826422466 607552693 /nfs/dbraw/zinc/55/26/93/607552693.db2.gz AABBBALZHNDAIX-UHFFFAOYSA-N -1 1 395.492 1.992 20 0 GDADMM CC(C)N1C[C@@H](C)[C@@H](NC(=O)Nc2cc(C(=O)[O-])cc(S(C)(=O)=O)c2)C1 ZINC000828422835 602217977 /nfs/dbraw/zinc/21/79/77/602217977.db2.gz JMMVFLVXZODXOE-ABAIWWIYSA-N -1 1 383.470 1.639 20 0 GDADMM COCCOC(=O)C1C(C)=NC(=O)N[C@@H]1c1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000285268852 602232919 /nfs/dbraw/zinc/23/29/19/602232919.db2.gz SUERNPWNACHYQE-IAQYHMDHSA-N -1 1 378.381 1.356 20 0 GDADMM COc1ccc(C(=O)N2CCN(CC3CCN(C(=O)[O-])CC3)CC2)cc1OC ZINC000739885831 602256547 /nfs/dbraw/zinc/25/65/47/602256547.db2.gz YJRVULPWBNEAOH-UHFFFAOYSA-N -1 1 391.468 1.852 20 0 GDADMM COc1ncc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)cc1C(N)=O ZINC000531629794 602319776 /nfs/dbraw/zinc/31/97/76/602319776.db2.gz BCHJQYDSLUQCPU-UHFFFAOYSA-N -1 1 379.394 1.305 20 0 GDADMM C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738628972 602530530 /nfs/dbraw/zinc/53/05/30/602530530.db2.gz FZODGNGQKNUUON-CVEARBPZSA-N -1 1 390.484 1.782 20 0 GDADMM COc1ccc(OC)c([C@H](C)NC(=O)CN2CC[C@H](CN(C)C(=O)[O-])C2)c1 ZINC000739931438 602537057 /nfs/dbraw/zinc/53/70/57/602537057.db2.gz QEHWUACOXWBDQC-UONOGXRCSA-N -1 1 379.457 1.813 20 0 GDADMM COc1cc2c(cc1OC)CN(C(=O)CN1CC[C@H](CN(C)C(=O)[O-])C1)CC2 ZINC000739872929 602537820 /nfs/dbraw/zinc/53/78/20/602537820.db2.gz KZRKAVZRIZUJPG-CQSZACIVSA-N -1 1 391.468 1.520 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)[C@H](c2ccccc2)N2CCC(O)CC2)C1)C(=O)[O-] ZINC000739640593 602575027 /nfs/dbraw/zinc/57/50/27/602575027.db2.gz HKUQDIOAKRESKK-YJBOKZPZSA-N -1 1 375.469 1.643 20 0 GDADMM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000739684357 602608940 /nfs/dbraw/zinc/60/89/40/602608940.db2.gz PRXIPOCCIUYVMD-INIZCTEOSA-N -1 1 393.488 1.354 20 0 GDADMM C[C@@H](NC(=O)NCCN(C)C(=O)[O-])c1cc(F)ccc1N1CCN(C)CC1 ZINC000738972770 602629369 /nfs/dbraw/zinc/62/93/69/602629369.db2.gz KCGASTRVUYEDJT-CYBMUJFWSA-N -1 1 381.452 1.548 20 0 GDADMM O=S(=O)(N[C@H]1CCOc2ccccc21)c1cccc(F)c1-c1nnn[n-]1 ZINC000826489747 607578811 /nfs/dbraw/zinc/57/88/11/607578811.db2.gz YJZYQHXDBGJQCV-LBPRGKRZSA-N -1 1 375.385 1.808 20 0 GDADMM O=S(=O)(N[C@H]1CCOc2ccccc21)c1cccc(F)c1-c1nn[n-]n1 ZINC000826489747 607578813 /nfs/dbraw/zinc/57/88/13/607578813.db2.gz YJZYQHXDBGJQCV-LBPRGKRZSA-N -1 1 375.385 1.808 20 0 GDADMM C[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1nnc2ccccn21 ZINC000824640345 607579947 /nfs/dbraw/zinc/57/99/47/607579947.db2.gz GRYOBSWWLVKWFU-VIFPVBQESA-N -1 1 388.388 1.088 20 0 GDADMM COCCN1CCC[C@H](NC(=O)C2(c3ccccc3)CCN(C(=O)[O-])CC2)C1 ZINC000739833032 602677448 /nfs/dbraw/zinc/67/74/48/602677448.db2.gz JFSKCOBGDGAICB-SFHVURJKSA-N -1 1 389.496 1.925 20 0 GDADMM CC(C)[C@@H](CNC(=O)N1CCC([C@H](C)NC(=O)[O-])CC1)N1CCN(C)CC1 ZINC000738784155 602695970 /nfs/dbraw/zinc/69/59/70/602695970.db2.gz KCHJGHDUXMIHIR-DOTOQJQBSA-N -1 1 383.537 1.336 20 0 GDADMM C[C@H](NC(=O)c1ccnc(N2CCN(C)CC2)c1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739029807 602710439 /nfs/dbraw/zinc/71/04/39/602710439.db2.gz XTSXRLZUAJHADG-GOEBONIOSA-N -1 1 375.473 1.342 20 0 GDADMM NC(=O)[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)c1ccccc1 ZINC000826389419 607582307 /nfs/dbraw/zinc/58/23/07/607582307.db2.gz XXMPLKOBZJEUER-CYBMUJFWSA-N -1 1 392.828 1.025 20 0 GDADMM NC(=O)[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)c1ccccc1 ZINC000826389419 607582308 /nfs/dbraw/zinc/58/23/08/607582308.db2.gz XXMPLKOBZJEUER-CYBMUJFWSA-N -1 1 392.828 1.025 20 0 GDADMM C[C@@H](CN1CCN(C)CC1)NC(=O)C1(c2ccccc2)CCN(C(=O)[O-])CC1 ZINC000738913350 602735669 /nfs/dbraw/zinc/73/56/69/602735669.db2.gz UYPDBQQLTGKFLS-KRWDZBQOSA-N -1 1 388.512 1.450 20 0 GDADMM O=S(=O)(NCCc1cn2ccccc2n1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826491495 607582996 /nfs/dbraw/zinc/58/29/96/607582996.db2.gz MBKCRMIWYHQHKJ-UHFFFAOYSA-N -1 1 387.400 1.175 20 0 GDADMM O=S(=O)(NCCc1cn2ccccc2n1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826491495 607582997 /nfs/dbraw/zinc/58/29/97/607582997.db2.gz MBKCRMIWYHQHKJ-UHFFFAOYSA-N -1 1 387.400 1.175 20 0 GDADMM C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)[C@H]1CCCO1 ZINC000824640751 607583382 /nfs/dbraw/zinc/58/33/82/607583382.db2.gz NXHCKIARJPOYTC-GZMMTYOYSA-N -1 1 391.375 1.731 20 0 GDADMM COc1cccc(CN(C)C(=O)CN2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)c1OC ZINC000739946247 602772385 /nfs/dbraw/zinc/77/23/85/602772385.db2.gz IPQCGWRNXAEMIC-DZGCQCFKSA-N -1 1 379.457 1.640 20 0 GDADMM O=S(=O)(NC[C@H]1Cc2ccccc2O1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826491148 607586275 /nfs/dbraw/zinc/58/62/75/607586275.db2.gz WAIFSCLZXYXCRX-LLVKDONJSA-N -1 1 391.840 1.802 20 0 GDADMM O=S(=O)(NC[C@H]1Cc2ccccc2O1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826491148 607586278 /nfs/dbraw/zinc/58/62/78/607586278.db2.gz WAIFSCLZXYXCRX-LLVKDONJSA-N -1 1 391.840 1.802 20 0 GDADMM CC(C)N1CCO[C@@H](CN2CCN(C(=O)CCC(C)(C)NC(=O)[O-])CC2)C1 ZINC000738853465 602809072 /nfs/dbraw/zinc/80/90/72/602809072.db2.gz ICHRVOFYGHDRKD-INIZCTEOSA-N -1 1 384.521 1.066 20 0 GDADMM C[C@@H](c1nc(-c2cccnc2)no1)N1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1 ZINC000739061526 602818390 /nfs/dbraw/zinc/81/83/90/602818390.db2.gz VZIZMIUVZDBVAJ-GXTWGEPZSA-N -1 1 388.428 1.288 20 0 GDADMM C[C@@H]1CCCC[C@@H]1OCCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824936785 607588393 /nfs/dbraw/zinc/58/83/93/607588393.db2.gz LVPWCGKVLLLXMP-YPMHNXCESA-N -1 1 383.449 1.879 20 0 GDADMM C[C@@H]1CCCC[C@@H]1OCCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824936785 607588394 /nfs/dbraw/zinc/58/83/94/607588394.db2.gz LVPWCGKVLLLXMP-YPMHNXCESA-N -1 1 383.449 1.879 20 0 GDADMM COc1cccc([C@H](CNC(=O)[C@H]2COCCN2C(=O)[O-])N2CCCC2)c1 ZINC000739945757 602827765 /nfs/dbraw/zinc/82/77/65/602827765.db2.gz OJCXCGTZEDKQCD-DLBZAZTESA-N -1 1 377.441 1.327 20 0 GDADMM O=C([O-])N1CCC[C@@H]1CC(=O)NCCCCN1CCN(c2ncccn2)CC1 ZINC000831327059 602855947 /nfs/dbraw/zinc/85/59/47/602855947.db2.gz MKUSUBLGTMEZDY-MRXNPFEDSA-N -1 1 390.488 1.028 20 0 GDADMM COc1ccccc1[C@@H](NC(=O)[O-])C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000739968692 602887687 /nfs/dbraw/zinc/88/76/87/602887687.db2.gz VIAPEBPDNIBSSM-JKIFEVAISA-N -1 1 379.457 1.619 20 0 GDADMM C[C@H]1CN(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)C[C@H](C)N1C(=O)[O-] ZINC000739145698 602888983 /nfs/dbraw/zinc/88/89/83/602888983.db2.gz JOMVOVSCQLVREI-GJZGRUSLSA-N -1 1 390.488 1.116 20 0 GDADMM CN(CC(=O)OCC(=O)Nc1cccc(CN2CCSCC2)c1)C(=O)[O-] ZINC000737406105 602928777 /nfs/dbraw/zinc/92/87/77/602928777.db2.gz KRJSPYORTHOAGC-UHFFFAOYSA-N -1 1 381.454 1.327 20 0 GDADMM O=C(CN1CCN(C(=O)[O-])CC1=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000740371313 602997223 /nfs/dbraw/zinc/99/72/23/602997223.db2.gz WVAGLVGIUJBERS-CQSZACIVSA-N -1 1 387.396 1.175 20 0 GDADMM C[C@@H]1CN(c2ccc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)cn2)C[C@H](C)O1 ZINC000824991582 607600142 /nfs/dbraw/zinc/60/01/42/607600142.db2.gz CKTWTRHWXGITFZ-BETUJISGSA-N -1 1 395.423 1.627 20 0 GDADMM C[C@@H]1CN(c2ccc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)cn2)C[C@H](C)O1 ZINC000824991582 607600143 /nfs/dbraw/zinc/60/01/43/607600143.db2.gz CKTWTRHWXGITFZ-BETUJISGSA-N -1 1 395.423 1.627 20 0 GDADMM O=C(CCNC(=O)c1n[nH]c2ccccc21)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000740357260 603009364 /nfs/dbraw/zinc/00/93/64/603009364.db2.gz YMPIYGIBNNVJIU-YHWZYXNKSA-N -1 1 385.424 1.472 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC(n2cccn2)CC1 ZINC000826496383 607601842 /nfs/dbraw/zinc/60/18/42/607601842.db2.gz UMAFTVAYCNPRHD-UHFFFAOYSA-N -1 1 377.405 1.228 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC(n2cccn2)CC1 ZINC000826496383 607601843 /nfs/dbraw/zinc/60/18/43/607601843.db2.gz UMAFTVAYCNPRHD-UHFFFAOYSA-N -1 1 377.405 1.228 20 0 GDADMM C[C@H]1C[C@@H](c2ccccc2)CN1CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O ZINC000739083780 603047751 /nfs/dbraw/zinc/04/77/51/603047751.db2.gz PNFZBGQEWWRBGK-GOEBONIOSA-N -1 1 386.452 1.886 20 0 GDADMM C[C@H](NC(=O)C(C)(C)C)C(=O)Nc1ccc(-c2nc(CNC(=O)[O-])n[nH]2)cc1 ZINC000738949127 603057245 /nfs/dbraw/zinc/05/72/45/603057245.db2.gz KHJDPJQKDSBXCJ-JTQLQIEISA-N -1 1 388.428 1.729 20 0 GDADMM C[C@H](NC(=O)C(C)(C)C)C(=O)Nc1ccc(-c2n[nH]c(CNC(=O)[O-])n2)cc1 ZINC000738949127 603057251 /nfs/dbraw/zinc/05/72/51/603057251.db2.gz KHJDPJQKDSBXCJ-JTQLQIEISA-N -1 1 388.428 1.729 20 0 GDADMM CC[C@@H]1CN(C(=O)[C@H](NC(=O)[O-])c2cccc(Cl)c2)CCN1C[C@H](C)O ZINC000826675883 603058125 /nfs/dbraw/zinc/05/81/25/603058125.db2.gz SUHANRKUZOUQPG-APHBMKBZSA-N -1 1 383.876 1.952 20 0 GDADMM CC[C@@H]1CN(C(=O)[C@H]2Cc3ccccc3CN2C(=O)[O-])CCN1C[C@@H](C)O ZINC000826683759 603059396 /nfs/dbraw/zinc/05/93/96/603059396.db2.gz XVHUTNJEBVYGGS-ZTFGCOKTSA-N -1 1 375.469 1.395 20 0 GDADMM COc1ccccc1[C@@H](NC(=O)[O-])C(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000829604311 603075559 /nfs/dbraw/zinc/07/55/59/603075559.db2.gz OGHOBSACVSWWLU-UONOGXRCSA-N -1 1 375.385 1.031 20 0 GDADMM C[C@H]1CN(CCCNC(=O)C2(NC(=O)[O-])Cc3ccccc3C2)C[C@H](C)O1 ZINC000739183332 603112167 /nfs/dbraw/zinc/11/21/67/603112167.db2.gz RIDOCSGFGJTDMR-GJZGRUSLSA-N -1 1 375.469 1.407 20 0 GDADMM O=C(CNC(=O)c1c(F)cccc1Cl)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826411830 607607839 /nfs/dbraw/zinc/60/78/39/607607839.db2.gz PJDZVQFIMFTWSA-UHFFFAOYSA-N -1 1 390.762 1.527 20 0 GDADMM O=C(CNC(=O)c1c(F)cccc1Cl)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826411830 607607841 /nfs/dbraw/zinc/60/78/41/607607841.db2.gz PJDZVQFIMFTWSA-UHFFFAOYSA-N -1 1 390.762 1.527 20 0 GDADMM COc1ccc(-c2n[nH]c(CNC(=O)N3C[C@@H](C)N(C(=O)[O-])[C@@H](C)C3)n2)cc1 ZINC000739879005 603127666 /nfs/dbraw/zinc/12/76/66/603127666.db2.gz JXPDDAFHEFJENZ-TXEJJXNPSA-N -1 1 388.428 1.763 20 0 GDADMM COc1ccc(-c2nc(CNC(=O)N3C[C@@H](C)N(C(=O)[O-])[C@@H](C)C3)n[nH]2)cc1 ZINC000739879005 603127670 /nfs/dbraw/zinc/12/76/70/603127670.db2.gz JXPDDAFHEFJENZ-TXEJJXNPSA-N -1 1 388.428 1.763 20 0 GDADMM CC(C)[C@@](C)(CNC(=O)[O-])NC(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000738766590 603131047 /nfs/dbraw/zinc/13/10/47/603131047.db2.gz AXOQBUCHPJXHDE-GOSISDBHSA-N -1 1 392.481 1.874 20 0 GDADMM COC(=O)C1CCC(NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000826132623 607609752 /nfs/dbraw/zinc/60/97/52/607609752.db2.gz FLOOZIDGVCYNSJ-UHFFFAOYSA-N -1 1 383.405 1.016 20 0 GDADMM C[C@H](CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)Oc1ccccc1 ZINC000824426374 607614190 /nfs/dbraw/zinc/61/41/90/607614190.db2.gz DSNOBAVNDWGIOF-LLVKDONJSA-N -1 1 377.401 1.752 20 0 GDADMM C[C@H](CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)Oc1ccccc1 ZINC000824426374 607614191 /nfs/dbraw/zinc/61/41/91/607614191.db2.gz DSNOBAVNDWGIOF-LLVKDONJSA-N -1 1 377.401 1.752 20 0 GDADMM CN1CCN(c2ccc(CNC(=O)[C@H]3CCC[C@H](NC(=O)[O-])C3)cn2)CC1 ZINC000739736346 603235455 /nfs/dbraw/zinc/23/54/55/603235455.db2.gz KKCQAMPNQHGMDM-HOTGVXAUSA-N -1 1 375.473 1.276 20 0 GDADMM CN1CCN(c2ccc(CNC(=O)[C@@H]3CCC[C@H](NC(=O)[O-])C3)cn2)CC1 ZINC000739736345 603235526 /nfs/dbraw/zinc/23/55/26/603235526.db2.gz KKCQAMPNQHGMDM-CVEARBPZSA-N -1 1 375.473 1.276 20 0 GDADMM O=C([O-])N[C@H](C(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1)c1cccc(Cl)c1 ZINC000740529773 603306130 /nfs/dbraw/zinc/30/61/30/603306130.db2.gz IYUUABMNFNWFNV-PMPSAXMXSA-N -1 1 381.860 1.706 20 0 GDADMM C[C@H]1CN(CC(=O)N2CCN(c3ccccc3F)CC2)CC[C@H]1NC(=O)[O-] ZINC000739168021 603414579 /nfs/dbraw/zinc/41/45/79/603414579.db2.gz CFEBJYNUPNOGBK-GOEBONIOSA-N -1 1 378.448 1.452 20 0 GDADMM COc1cc2c(cc1OC)CN(C(=O)CN1CC[C@@H](NC(=O)[O-])[C@@H](C)C1)CC2 ZINC000739872893 603415559 /nfs/dbraw/zinc/41/55/59/603415559.db2.gz KTOZPDBKHIJRJB-XJKSGUPXSA-N -1 1 391.468 1.567 20 0 GDADMM COc1cccc([C@H](O)CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000826215278 607630927 /nfs/dbraw/zinc/63/09/27/607630927.db2.gz KPVKPQAWNZQSTI-CQSZACIVSA-N -1 1 393.400 1.026 20 0 GDADMM CCN(CC1CCN(CC(=O)NC2CCC3(CC2)OCCO3)CC1)C(=O)[O-] ZINC000827092408 603510098 /nfs/dbraw/zinc/51/00/98/603510098.db2.gz BXNVIPCAUVAZCE-UHFFFAOYSA-N -1 1 383.489 1.500 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)c(NC(=O)[O-])c2)cn1C ZINC000828760850 603527787 /nfs/dbraw/zinc/52/77/87/603527787.db2.gz IYGYILHDVPFVBQ-UHFFFAOYSA-N -1 1 383.382 1.711 20 0 GDADMM CN(CC(C)(C)CNC(=O)[O-])C(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000828137776 603536288 /nfs/dbraw/zinc/53/62/88/603536288.db2.gz NDPHRQANPCBZIN-UHFFFAOYSA-N -1 1 378.454 1.437 20 0 GDADMM C[C@H]1CN(C(=O)Nc2cc(C(N)=O)ccc2CN(C)C)CC[C@H]1NC(=O)[O-] ZINC000826007666 603562222 /nfs/dbraw/zinc/56/22/22/603562222.db2.gz NYWPISHXXHIGCV-SMDDNHRTSA-N -1 1 377.445 1.357 20 0 GDADMM CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N[C@H]1CCCC[C@@H]1CNC(=O)[O-] ZINC000828043021 603563020 /nfs/dbraw/zinc/56/30/20/603563020.db2.gz YDDVWEOIEWCLJB-HIFRSBDPSA-N -1 1 391.472 1.795 20 0 GDADMM CN(CN1C(=O)N[C@@]2(CCCC[C@@H]2CNC(=O)[O-])C1=O)C(C1CC1)C1CC1 ZINC000828345435 603597889 /nfs/dbraw/zinc/59/78/89/603597889.db2.gz CPEWIHMKBZSENZ-AUUYWEPGSA-N -1 1 378.473 1.813 20 0 GDADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N1CCC[C@H](C)[C@H]1CNC(=O)[O-] ZINC000825458997 603690192 /nfs/dbraw/zinc/69/01/92/603690192.db2.gz LTVYBQNLRRDLPJ-SLEUVZQESA-N -1 1 387.440 1.576 20 0 GDADMM CCO[C@H]1C[C@@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C12CCC2 ZINC000825583481 607647159 /nfs/dbraw/zinc/64/71/59/607647159.db2.gz UVCFXTOVCYGJSA-OLZOCXBDSA-N -1 1 381.433 1.632 20 0 GDADMM CCO[C@H]1C[C@@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C12CCC2 ZINC000825583481 607647161 /nfs/dbraw/zinc/64/71/61/607647161.db2.gz UVCFXTOVCYGJSA-OLZOCXBDSA-N -1 1 381.433 1.632 20 0 GDADMM C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)[C@H]1CCOC1 ZINC000824640428 607648432 /nfs/dbraw/zinc/64/84/32/607648432.db2.gz IMCFQYGDCHNUBY-BDAKNGLRSA-N -1 1 391.375 1.589 20 0 GDADMM CSC1(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCOCC1 ZINC000826226796 607648719 /nfs/dbraw/zinc/64/87/19/607648719.db2.gz GNIBEJIKMPJRQP-UHFFFAOYSA-N -1 1 387.462 1.196 20 0 GDADMM CN([C@H](CCO)c1ccccc1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825833237 607653079 /nfs/dbraw/zinc/65/30/79/607653079.db2.gz CUVZKUUMRUEOAW-CQSZACIVSA-N -1 1 391.428 1.750 20 0 GDADMM CN([C@H](CCO)c1ccccc1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825833237 607653081 /nfs/dbraw/zinc/65/30/81/607653081.db2.gz CUVZKUUMRUEOAW-CQSZACIVSA-N -1 1 391.428 1.750 20 0 GDADMM C[C@@H]1CN(C(=O)CCN2CCN(c3ccccn3)CC2)CC[C@H]1NC(=O)[O-] ZINC000825983630 603830047 /nfs/dbraw/zinc/83/00/47/603830047.db2.gz MEUNLAXXVQEPOT-HZPDHXFCSA-N -1 1 375.473 1.098 20 0 GDADMM CCN1CCN(c2ccc(C(=O)O[C@H]3CN(C(=O)[O-])CCC3=O)cc2)CC1 ZINC000827229262 603853392 /nfs/dbraw/zinc/85/33/92/603853392.db2.gz YZIRKOXARPBWLX-KRWDZBQOSA-N -1 1 375.425 1.307 20 0 GDADMM Cc1nn(C)c(C)c1CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826333515 607656733 /nfs/dbraw/zinc/65/67/33/607656733.db2.gz KUZJKXXSTIOJDL-UHFFFAOYSA-N -1 1 381.849 1.349 20 0 GDADMM Cc1nn(C)c(C)c1CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826333515 607656734 /nfs/dbraw/zinc/65/67/34/607656734.db2.gz KUZJKXXSTIOJDL-UHFFFAOYSA-N -1 1 381.849 1.349 20 0 GDADMM Cc1ccccc1[C@@H](CO)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826305814 607659168 /nfs/dbraw/zinc/65/91/68/607659168.db2.gz JDWDVUAAPVNZHD-CQSZACIVSA-N -1 1 377.401 1.326 20 0 GDADMM CC(C)[C@H](CNC(=O)NC[C@@H](NC(=O)[O-])c1ccccc1)N1CCN(C)CC1 ZINC000824117641 603921895 /nfs/dbraw/zinc/92/18/95/603921895.db2.gz QHLRWEBUOZVPOC-MSOLQXFVSA-N -1 1 391.516 1.567 20 0 GDADMM CC(C)[C@](C)(CNC(=O)[O-])NC(=O)[C@H](C)NC(=O)c1n[nH]c2ccccc21 ZINC000825460079 603940156 /nfs/dbraw/zinc/94/01/56/603940156.db2.gz WPIGDIPRRDQNGF-VOJFVSQTSA-N -1 1 375.429 1.480 20 0 GDADMM CN(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)C1CCN(C(=O)[O-])CC1 ZINC000828102897 603990770 /nfs/dbraw/zinc/99/07/70/603990770.db2.gz RQFYCLLYYJQJBD-UHFFFAOYSA-N -1 1 384.383 1.094 20 0 GDADMM O=C([O-])N1CC(OCC(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)C1 ZINC000831852572 603994432 /nfs/dbraw/zinc/99/44/32/603994432.db2.gz QLZAHAIBRBSNFB-UHFFFAOYSA-N -1 1 385.424 1.557 20 0 GDADMM CCCCC[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)C(=O)OC ZINC000825268012 607665359 /nfs/dbraw/zinc/66/53/59/607665359.db2.gz QBJPMOOAMYIQLB-LBPRGKRZSA-N -1 1 385.421 1.406 20 0 GDADMM O=C([O-])NCC1CCN(C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)CC1 ZINC000832582724 604003466 /nfs/dbraw/zinc/00/34/66/604003466.db2.gz JPMAOLUZBUEKRJ-UHFFFAOYSA-N -1 1 376.438 1.191 20 0 GDADMM CC(C)(CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)[C@@H]1CCCCO1 ZINC000824157833 607670003 /nfs/dbraw/zinc/67/00/03/607670003.db2.gz OGYAXMFCLXTBLN-ZDUSSCGKSA-N -1 1 383.449 1.879 20 0 GDADMM CC(C)(CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)[C@@H]1CCCCO1 ZINC000824157833 607670005 /nfs/dbraw/zinc/67/00/05/607670005.db2.gz OGYAXMFCLXTBLN-ZDUSSCGKSA-N -1 1 383.449 1.879 20 0 GDADMM CC(C)(CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)[C@H]1CCCCO1 ZINC000824158434 607670314 /nfs/dbraw/zinc/67/03/14/607670314.db2.gz WTIROCACZLASCQ-CQSZACIVSA-N -1 1 383.449 1.879 20 0 GDADMM CC[C@@H](CO)N1CCN(C(=O)Nc2ccc3c(c2)CN(C(=O)[O-])CC3)CC1 ZINC000826586562 604097556 /nfs/dbraw/zinc/09/75/56/604097556.db2.gz CJRNDQGUNMMHEE-KRWDZBQOSA-N -1 1 376.457 1.643 20 0 GDADMM O=C1NCCCN1C1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000826482849 607675817 /nfs/dbraw/zinc/67/58/17/607675817.db2.gz SDXWVAVATHFRCC-UHFFFAOYSA-N -1 1 378.440 1.799 20 0 GDADMM O=C1NCCCN1C1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000826482849 607675819 /nfs/dbraw/zinc/67/58/19/607675819.db2.gz SDXWVAVATHFRCC-UHFFFAOYSA-N -1 1 378.440 1.799 20 0 GDADMM 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O=C([O-])N(CC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)C[C@H]1CCCO1 ZINC000834068225 606093793 /nfs/dbraw/zinc/09/37/93/606093793.db2.gz KYQQYIHLVZDMEA-UONOGXRCSA-N -1 1 377.445 1.547 20 0 GDADMM COC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821670242 606134053 /nfs/dbraw/zinc/13/40/53/606134053.db2.gz UHCHWLXZMUDJRA-UHFFFAOYSA-N -1 1 387.377 1.510 20 0 GDADMM COC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821670242 606134055 /nfs/dbraw/zinc/13/40/55/606134055.db2.gz UHCHWLXZMUDJRA-UHFFFAOYSA-N -1 1 387.377 1.510 20 0 GDADMM CCCC(=O)Nc1ccc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000821009548 606162215 /nfs/dbraw/zinc/16/22/15/606162215.db2.gz VKSZCXVPJCYDSG-UHFFFAOYSA-N -1 1 383.416 1.661 20 0 GDADMM CCCC(=O)Nc1ccc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000821009548 606162217 /nfs/dbraw/zinc/16/22/17/606162217.db2.gz VKSZCXVPJCYDSG-UHFFFAOYSA-N -1 1 383.416 1.661 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2cc(Br)cs2)n1 ZINC000822619895 606166448 /nfs/dbraw/zinc/16/64/48/606166448.db2.gz JSSXXMLOLNUVCC-UHFFFAOYSA-N -1 1 383.235 1.746 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2cc(Br)cs2)n1 ZINC000822619895 606166449 /nfs/dbraw/zinc/16/64/49/606166449.db2.gz JSSXXMLOLNUVCC-UHFFFAOYSA-N -1 1 383.235 1.746 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCc2nc(C(F)(F)F)cs2)n1 ZINC000822620511 606169390 /nfs/dbraw/zinc/16/93/90/606169390.db2.gz UOYNJCCMTDYLMV-UHFFFAOYSA-N -1 1 387.351 1.440 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCc2nc(C(F)(F)F)cs2)n1 ZINC000822620511 606169391 /nfs/dbraw/zinc/16/93/91/606169391.db2.gz UOYNJCCMTDYLMV-UHFFFAOYSA-N -1 1 387.351 1.440 20 0 GDADMM Cc1cc(C)n2nc(CCCOC(=O)c3ccc(-c4nnn[n-]4)s3)nc2n1 ZINC000822198618 606177862 /nfs/dbraw/zinc/17/78/62/606177862.db2.gz CKGSILRJUIDTQO-UHFFFAOYSA-N -1 1 384.425 1.772 20 0 GDADMM Cc1cc(C)n2nc(CCCOC(=O)c3ccc(-c4nn[n-]n4)s3)nc2n1 ZINC000822198618 606177864 /nfs/dbraw/zinc/17/78/64/606177864.db2.gz CKGSILRJUIDTQO-UHFFFAOYSA-N -1 1 384.425 1.772 20 0 GDADMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cccc(-c4nn[nH]n4)c3)ccc21 ZINC000537601577 606178115 /nfs/dbraw/zinc/17/81/15/606178115.db2.gz QEKWQGGUIJJVQK-UHFFFAOYSA-N -1 1 384.421 1.577 20 0 GDADMM CN(C)S(=O)(=O)c1ccc(OC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821588168 606179045 /nfs/dbraw/zinc/17/90/45/606179045.db2.gz FTDYJVOSAHIEHM-UHFFFAOYSA-N -1 1 379.423 1.398 20 0 GDADMM CN(C)S(=O)(=O)c1ccc(OC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821588168 606179047 /nfs/dbraw/zinc/17/90/47/606179047.db2.gz FTDYJVOSAHIEHM-UHFFFAOYSA-N -1 1 379.423 1.398 20 0 GDADMM C[C@H]1CCc2c(F)cccc2[C@@H]1Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820728433 606200165 /nfs/dbraw/zinc/20/01/65/606200165.db2.gz VSOFDASSDDFJAR-LKFCYVNXSA-N -1 1 385.403 1.139 20 0 GDADMM Cc1nc2n(n1)CCC[C@H]2NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000822463695 606275616 /nfs/dbraw/zinc/27/56/16/606275616.db2.gz VCEWEBCRAOJIMR-CYBMUJFWSA-N -1 1 397.443 1.068 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)Nc2cccc([S@@](C)=O)c2)cc1-c1nn[n-]n1 ZINC000821976395 606286176 /nfs/dbraw/zinc/28/61/76/606286176.db2.gz APZLOJXPCNWZLI-AREMUKBSSA-N -1 1 390.450 1.679 20 0 GDADMM Cc1nn(Cc2cc(F)cc(Br)c2)c(=O)c(-c2nn[n-]n2)c1C ZINC000822500864 606399806 /nfs/dbraw/zinc/39/98/06/606399806.db2.gz JWXDYEKDKHVHFW-UHFFFAOYSA-N -1 1 379.193 1.990 20 0 GDADMM CN1C(=O)N[C@@]2(CCC[C@H]2CNc2cc(-c3nnn[n-]3)nc3ccccc32)C1=O ZINC000821620563 606422685 /nfs/dbraw/zinc/42/26/85/606422685.db2.gz OXEMDKCEAFJSDG-JEOXALJRSA-N -1 1 392.423 1.547 20 0 GDADMM CN1C(=O)N[C@@]2(CCC[C@H]2CNc2cc(-c3nn[n-]n3)nc3ccccc32)C1=O ZINC000821620563 606422687 /nfs/dbraw/zinc/42/26/87/606422687.db2.gz OXEMDKCEAFJSDG-JEOXALJRSA-N -1 1 392.423 1.547 20 0 GDADMM CNC(=O)[C@@H](C)NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736868638 606447349 /nfs/dbraw/zinc/44/73/49/606447349.db2.gz SFJQIIUPBFSUEL-SNVBAGLBSA-N -1 1 384.371 1.662 20 0 GDADMM CNC(=O)[C@@H](C)NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736868638 606447351 /nfs/dbraw/zinc/44/73/51/606447351.db2.gz SFJQIIUPBFSUEL-SNVBAGLBSA-N -1 1 384.371 1.662 20 0 GDADMM C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(-c4nn[n-]n4)s3)cn2)C[C@H](C)O1 ZINC000820768853 606511078 /nfs/dbraw/zinc/51/10/78/606511078.db2.gz QIIAFNHQTNXQQT-TXEJJXNPSA-N -1 1 399.480 1.867 20 0 GDADMM CC(=O)N[C@@H](CC(=O)OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(C)cc1 ZINC000819804062 606517766 /nfs/dbraw/zinc/51/77/66/606517766.db2.gz SSVPWCKSTCZZFP-INIZCTEOSA-N -1 1 380.408 1.881 20 0 GDADMM CC(=O)N[C@@H](CC(=O)OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(C)cc1 ZINC000819804062 606517768 /nfs/dbraw/zinc/51/77/68/606517768.db2.gz SSVPWCKSTCZZFP-INIZCTEOSA-N -1 1 380.408 1.881 20 0 GDADMM CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821635177 606571269 /nfs/dbraw/zinc/57/12/69/606571269.db2.gz PNSPVKWUTQKZGL-ZDUSSCGKSA-N -1 1 395.448 1.497 20 0 GDADMM CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821635177 606571271 /nfs/dbraw/zinc/57/12/71/606571271.db2.gz PNSPVKWUTQKZGL-ZDUSSCGKSA-N -1 1 395.448 1.497 20 0 GDADMM CCc1cnc(N2CCN(C(=O)c3ccc(-c4nnn[n-]4)s3)CC2)s1 ZINC000821499391 606573994 /nfs/dbraw/zinc/57/39/94/606573994.db2.gz JJFMTUPDQDAITP-UHFFFAOYSA-N -1 1 375.483 1.910 20 0 GDADMM CCc1cnc(N2CCN(C(=O)c3ccc(-c4nn[n-]n4)s3)CC2)s1 ZINC000821499391 606573996 /nfs/dbraw/zinc/57/39/96/606573996.db2.gz JJFMTUPDQDAITP-UHFFFAOYSA-N -1 1 375.483 1.910 20 0 GDADMM C[C@@H]1Oc2ccccc2N(CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)C1=O ZINC000820819539 606649435 /nfs/dbraw/zinc/64/94/35/606649435.db2.gz JVSBYLINOGBIPS-NSHDSACASA-N -1 1 380.364 1.119 20 0 GDADMM C[C@@H]1Oc2ccccc2N(CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)C1=O ZINC000820819539 606649436 /nfs/dbraw/zinc/64/94/36/606649436.db2.gz JVSBYLINOGBIPS-NSHDSACASA-N -1 1 380.364 1.119 20 0 GDADMM O=C(CCCn1c(=O)oc2ccccc21)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822964814 606650677 /nfs/dbraw/zinc/65/06/77/606650677.db2.gz QBJYKUCBFGMUAT-UHFFFAOYSA-N -1 1 380.364 1.693 20 0 GDADMM O=C(CCCn1c(=O)oc2ccccc21)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822964814 606650678 /nfs/dbraw/zinc/65/06/78/606650678.db2.gz QBJYKUCBFGMUAT-UHFFFAOYSA-N -1 1 380.364 1.693 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)O[C@H](C)C1CCOCC1 ZINC000822458633 606654398 /nfs/dbraw/zinc/65/43/98/606654398.db2.gz GOHSWKASCQCHOI-CYBMUJFWSA-N -1 1 399.455 1.817 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)O[C@H](C)C1CCOCC1 ZINC000822458633 606654399 /nfs/dbraw/zinc/65/43/99/606654399.db2.gz GOHSWKASCQCHOI-CYBMUJFWSA-N -1 1 399.455 1.817 20 0 GDADMM COC[C@](C)(O)C(=O)Nc1ccc(Oc2ncccc2-c2nn[n-]n2)cc1C ZINC000821681905 606659096 /nfs/dbraw/zinc/65/90/96/606659096.db2.gz VEDXWRMAADRENU-SFHVURJKSA-N -1 1 384.396 1.698 20 0 GDADMM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2-c2nn[nH]n2)C1 ZINC000820649647 606707351 /nfs/dbraw/zinc/70/73/51/606707351.db2.gz NNWWPRUZJHGMSZ-GHMZBOCLSA-N -1 1 382.494 1.453 20 0 GDADMM O=C(N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)c1cc2ccccc2o1 ZINC000823149579 606732214 /nfs/dbraw/zinc/73/22/14/606732214.db2.gz CJPMYLNOMALRFA-CYBMUJFWSA-N -1 1 390.407 1.802 20 0 GDADMM O=C(N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)c1cc2ccccc2o1 ZINC000823149579 606732216 /nfs/dbraw/zinc/73/22/16/606732216.db2.gz CJPMYLNOMALRFA-CYBMUJFWSA-N -1 1 390.407 1.802 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=S)Nc1ccccc1 ZINC000820788576 606764813 /nfs/dbraw/zinc/76/48/13/606764813.db2.gz JUINRHHULCBTPY-LBPRGKRZSA-N -1 1 381.469 1.564 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=S)Nc1ccccc1 ZINC000820788576 606764815 /nfs/dbraw/zinc/76/48/15/606764815.db2.gz JUINRHHULCBTPY-LBPRGKRZSA-N -1 1 381.469 1.564 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1nc2ccccc2n1C ZINC000820804300 606778339 /nfs/dbraw/zinc/77/83/39/606778339.db2.gz PVZBYCZMYVHLFJ-CYBMUJFWSA-N -1 1 390.455 1.254 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1nc2ccccc2n1C ZINC000820804300 606778340 /nfs/dbraw/zinc/77/83/40/606778340.db2.gz PVZBYCZMYVHLFJ-CYBMUJFWSA-N -1 1 390.455 1.254 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1nnc(C(C)(C)C)o1 ZINC000820804636 606780949 /nfs/dbraw/zinc/78/09/49/606780949.db2.gz WMVIEECBXASUGW-NSHDSACASA-N -1 1 384.448 1.048 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1nnc(C(C)(C)C)o1 ZINC000820804636 606780951 /nfs/dbraw/zinc/78/09/51/606780951.db2.gz WMVIEECBXASUGW-NSHDSACASA-N -1 1 384.448 1.048 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1nnc(-c2ccco2)o1 ZINC000820803767 606785055 /nfs/dbraw/zinc/78/50/55/606785055.db2.gz GZGSIQXXBOGGRP-LLVKDONJSA-N -1 1 394.399 1.010 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1nnc(-c2ccco2)o1 ZINC000820803767 606785056 /nfs/dbraw/zinc/78/50/56/606785056.db2.gz GZGSIQXXBOGGRP-LLVKDONJSA-N -1 1 394.399 1.010 20 0 GDADMM C[C@@H]1CCC[C@H](NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)C1 ZINC000820697467 606788528 /nfs/dbraw/zinc/78/85/28/606788528.db2.gz HQYTVCUMBKFOMW-RDBSUJKOSA-N -1 1 385.476 1.456 20 0 GDADMM C[C@@H]1CCC[C@H](NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)C1 ZINC000820697467 606788530 /nfs/dbraw/zinc/78/85/30/606788530.db2.gz HQYTVCUMBKFOMW-RDBSUJKOSA-N -1 1 385.476 1.456 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCC1(C)CCCC1 ZINC000820788622 606792114 /nfs/dbraw/zinc/79/21/14/606792114.db2.gz KVPXXMJHSPSUQS-ZDUSSCGKSA-N -1 1 385.476 1.457 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCC1(C)CCCC1 ZINC000820788622 606792115 /nfs/dbraw/zinc/79/21/15/606792115.db2.gz KVPXXMJHSPSUQS-ZDUSSCGKSA-N -1 1 385.476 1.457 20 0 GDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000822903652 606816367 /nfs/dbraw/zinc/81/63/67/606816367.db2.gz MXROVZSLTXBWSW-UHFFFAOYSA-N -1 1 385.775 1.622 20 0 GDADMM COC(=O)C(C)(C)CNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000821638638 606817552 /nfs/dbraw/zinc/81/75/52/606817552.db2.gz DVFHIMMJYYLQMX-UHFFFAOYSA-N -1 1 390.469 1.790 20 0 GDADMM CCc1cccc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1 ZINC000821492300 606831633 /nfs/dbraw/zinc/83/16/33/606831633.db2.gz KWEYCHCQFZEUCK-CYBMUJFWSA-N -1 1 393.455 1.962 20 0 GDADMM CCc1cccc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1 ZINC000821492300 606831635 /nfs/dbraw/zinc/83/16/35/606831635.db2.gz KWEYCHCQFZEUCK-CYBMUJFWSA-N -1 1 393.455 1.962 20 0 GDADMM Cc1ncc(C=CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)s1 ZINC000822468074 606832108 /nfs/dbraw/zinc/83/21/08/606832108.db2.gz WXLNHQWJLONWBG-DLRQAJBASA-N -1 1 397.468 1.172 20 0 GDADMM Cc1ncc(C=CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)s1 ZINC000822468074 606832109 /nfs/dbraw/zinc/83/21/09/606832109.db2.gz WXLNHQWJLONWBG-DLRQAJBASA-N -1 1 397.468 1.172 20 0 GDADMM Cc1cc(F)ccc1NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000822205809 606833484 /nfs/dbraw/zinc/83/34/84/606833484.db2.gz IWKMYWVMLWHRQD-LBPRGKRZSA-N -1 1 397.418 1.847 20 0 GDADMM Cc1cc(F)ccc1NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000822205809 606833486 /nfs/dbraw/zinc/83/34/86/606833486.db2.gz IWKMYWVMLWHRQD-LBPRGKRZSA-N -1 1 397.418 1.847 20 0 GDADMM Cc1noc(C)c1NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000822523066 606834969 /nfs/dbraw/zinc/83/49/69/606834969.db2.gz OYDFPDBJIKGAMK-VIFPVBQESA-N -1 1 384.404 1.004 20 0 GDADMM Cc1noc(C)c1NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000822523066 606834971 /nfs/dbraw/zinc/83/49/71/606834971.db2.gz OYDFPDBJIKGAMK-VIFPVBQESA-N -1 1 384.404 1.004 20 0 GDADMM C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C[C@H](C(F)(F)F)O1 ZINC000820769854 606845200 /nfs/dbraw/zinc/84/52/00/606845200.db2.gz XJOPFCNEJVXNKA-RDDDGLTNSA-N -1 1 395.338 1.346 20 0 GDADMM CC(C)CC1(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)CCC1 ZINC000820062205 606854549 /nfs/dbraw/zinc/85/45/49/606854549.db2.gz JQGSTGJKKIYZQU-CQSZACIVSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CC1(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)CCC1 ZINC000820062205 606854550 /nfs/dbraw/zinc/85/45/50/606854550.db2.gz JQGSTGJKKIYZQU-CQSZACIVSA-N -1 1 384.488 1.910 20 0 GDADMM CCS[C@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)C(C)C ZINC000821449594 606855434 /nfs/dbraw/zinc/85/54/34/606855434.db2.gz VMOOAVYTIQVSCY-OCCSQVGLSA-N -1 1 390.517 1.472 20 0 GDADMM CCS[C@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)C(C)C ZINC000821449594 606855436 /nfs/dbraw/zinc/85/54/36/606855436.db2.gz VMOOAVYTIQVSCY-OCCSQVGLSA-N -1 1 390.517 1.472 20 0 GDADMM CN(CCC1CCOCC1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000821599149 606895775 /nfs/dbraw/zinc/89/57/75/606895775.db2.gz HIKUHYBILOQKCB-UHFFFAOYSA-N -1 1 385.877 1.957 20 0 GDADMM CN(CCC1CCOCC1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000821599149 606895777 /nfs/dbraw/zinc/89/57/77/606895777.db2.gz HIKUHYBILOQKCB-UHFFFAOYSA-N -1 1 385.877 1.957 20 0 GDADMM COC(=O)[C@@H]1CCCCCC[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821655551 606897192 /nfs/dbraw/zinc/89/71/92/606897192.db2.gz NIIQPACLACWNBN-OLZOCXBDSA-N -1 1 394.457 1.052 20 0 GDADMM COC(=O)[C@@H]1CCCCCC[C@@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821655551 606897194 /nfs/dbraw/zinc/89/71/94/606897194.db2.gz NIIQPACLACWNBN-OLZOCXBDSA-N -1 1 394.457 1.052 20 0 GDADMM CN(CCC(=O)OC(C)(C)C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000821599535 606943281 /nfs/dbraw/zinc/94/32/81/606943281.db2.gz YWNOAOOWIALKLS-UHFFFAOYSA-N -1 1 385.421 1.358 20 0 GDADMM CN(CCC(=O)OC(C)(C)C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000821599535 606943283 /nfs/dbraw/zinc/94/32/83/606943283.db2.gz YWNOAOOWIALKLS-UHFFFAOYSA-N -1 1 385.421 1.358 20 0 GDADMM CC(=O)N1CC[C@H](COC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)C1 ZINC000819789561 606952701 /nfs/dbraw/zinc/95/27/01/606952701.db2.gz UEUCLLIRXHUDJI-ZDUSSCGKSA-N -1 1 384.396 1.584 20 0 GDADMM CC(=O)N1CC[C@H](COC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)C1 ZINC000819789561 606952702 /nfs/dbraw/zinc/95/27/02/606952702.db2.gz UEUCLLIRXHUDJI-ZDUSSCGKSA-N -1 1 384.396 1.584 20 0 GDADMM O=C(C[C@@H]1COCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000822945896 606955155 /nfs/dbraw/zinc/95/51/55/606955155.db2.gz SRUQLCTVJFPNON-OAHLLOKOSA-N -1 1 378.392 1.376 20 0 GDADMM O=C(C[C@@H]1COCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000822945896 606955157 /nfs/dbraw/zinc/95/51/57/606955157.db2.gz SRUQLCTVJFPNON-OAHLLOKOSA-N -1 1 378.392 1.376 20 0 GDADMM CCC(=O)c1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c(F)c1 ZINC000820842868 607005944 /nfs/dbraw/zinc/00/59/44/607005944.db2.gz QMXMGVKXEXBJPH-UHFFFAOYSA-N -1 1 377.357 1.761 20 0 GDADMM CCC(=O)c1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c(F)c1 ZINC000820842868 607005945 /nfs/dbraw/zinc/00/59/45/607005945.db2.gz QMXMGVKXEXBJPH-UHFFFAOYSA-N -1 1 377.357 1.761 20 0 GDADMM Cc1nn(C)c2[nH]c(=O)c(CCC(=O)Nc3ncc(-c4nnn[n-]4)s3)c(C)c12 ZINC000822496343 607108421 /nfs/dbraw/zinc/10/84/21/607108421.db2.gz JXLDDWVCGZFPEC-UHFFFAOYSA-N -1 1 399.440 1.086 20 0 GDADMM Cc1nn(C)c2[nH]c(=O)c(CCC(=O)Nc3ncc(-c4nn[n-]n4)s3)c(C)c12 ZINC000822496343 607108423 /nfs/dbraw/zinc/10/84/23/607108423.db2.gz JXLDDWVCGZFPEC-UHFFFAOYSA-N -1 1 399.440 1.086 20 0 GDADMM COC(=O)[C@@]1(C)CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000821653561 607129234 /nfs/dbraw/zinc/12/92/34/607129234.db2.gz DUAJCAAMUFTXGD-AWEZNQCLSA-N -1 1 385.833 1.094 20 0 GDADMM COC(=O)[C@@]1(C)CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000821653561 607129235 /nfs/dbraw/zinc/12/92/35/607129235.db2.gz DUAJCAAMUFTXGD-AWEZNQCLSA-N -1 1 385.833 1.094 20 0 GDADMM Cc1cccc2c1ncnc2N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000822334732 607174709 /nfs/dbraw/zinc/17/47/09/607174709.db2.gz FLGBDHYEDHATAH-ZDUSSCGKSA-N -1 1 388.439 1.623 20 0 GDADMM Cc1cccc2c1ncnc2N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000822334732 607174710 /nfs/dbraw/zinc/17/47/10/607174710.db2.gz FLGBDHYEDHATAH-ZDUSSCGKSA-N -1 1 388.439 1.623 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCCCOc1ccc(Cl)cc1 ZINC000823131415 607206161 /nfs/dbraw/zinc/20/61/61/607206161.db2.gz GZZZDPMYRUMCID-UHFFFAOYSA-N -1 1 376.808 1.087 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000823122452 607208252 /nfs/dbraw/zinc/20/82/52/607208252.db2.gz BNIKLMKPOHVMPH-CYBMUJFWSA-N -1 1 377.412 1.346 20 0 GDADMM C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820287885 607209117 /nfs/dbraw/zinc/20/91/17/607209117.db2.gz RUSDFIIECMLPEU-GFCCVEGCSA-N -1 1 384.444 1.339 20 0 GDADMM CC(C)(CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(Cl)c(Cl)c1 ZINC000819981519 607211789 /nfs/dbraw/zinc/21/17/89/607211789.db2.gz XONXOEVFTFFRAI-UHFFFAOYSA-N -1 1 395.254 1.859 20 0 GDADMM COCCSc1ccc([C@@H](C)NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000821694299 607214695 /nfs/dbraw/zinc/21/46/95/607214695.db2.gz HHONLZDKQUQLNG-LLVKDONJSA-N -1 1 388.457 1.074 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(OCCc2ccccc2)nc1 ZINC000823136292 607218600 /nfs/dbraw/zinc/21/86/00/607218600.db2.gz UDGABZHOCJTHQC-UHFFFAOYSA-N -1 1 391.395 1.113 20 0 GDADMM Cc1ccc(CCN(CC(F)(F)F)C(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000822236222 607220238 /nfs/dbraw/zinc/22/02/38/607220238.db2.gz OYDQPMODBXKFHS-UHFFFAOYSA-N -1 1 394.361 1.400 20 0 GDADMM C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(-c2cccnc2)cc1 ZINC000820333581 607221259 /nfs/dbraw/zinc/22/12/59/607221259.db2.gz DHLBTMQWUCKBLB-LBPRGKRZSA-N -1 1 375.396 1.398 20 0 GDADMM NC(=O)C1(NC(=O)c2ccc(Oc3cccc(F)c3-c3nnn[n-]3)cc2)CC1 ZINC000822858839 607223122 /nfs/dbraw/zinc/22/31/22/607223122.db2.gz CTKZXGQMULYONE-UHFFFAOYSA-N -1 1 382.355 1.546 20 0 GDADMM NC(=O)C1(NC(=O)c2ccc(Oc3cccc(F)c3-c3nn[n-]n3)cc2)CC1 ZINC000822858839 607223123 /nfs/dbraw/zinc/22/31/23/607223123.db2.gz CTKZXGQMULYONE-UHFFFAOYSA-N -1 1 382.355 1.546 20 0 GDADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc2c(c1)CCN2C(N)=O ZINC000826256144 607809608 /nfs/dbraw/zinc/80/96/08/607809608.db2.gz WQIHKYHAXHVCRN-UHFFFAOYSA-N -1 1 399.436 1.417 20 0 GDADMM O=S(=O)(N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826488476 607819023 /nfs/dbraw/zinc/81/90/23/607819023.db2.gz RAPMMKYZLXQFIO-HONMWMINSA-N -1 1 379.417 1.242 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CC[C@@H](C2CCOCC2)C1 ZINC000826495158 607853192 /nfs/dbraw/zinc/85/31/92/607853192.db2.gz FEPWANSIIQIMOO-GFCCVEGCSA-N -1 1 381.433 1.443 20 0 GDADMM CCOC(=O)c1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000825565363 607867369 /nfs/dbraw/zinc/86/73/69/607867369.db2.gz SCPLNKUGSTXIIK-UHFFFAOYSA-N -1 1 392.368 1.950 20 0 GDADMM CCOC(=O)c1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000825565363 607867370 /nfs/dbraw/zinc/86/73/70/607867370.db2.gz SCPLNKUGSTXIIK-UHFFFAOYSA-N -1 1 392.368 1.950 20 0 GDADMM Cc1nn(C)c2ncc(S(=O)(=O)Oc3cccc(F)c3-c3nnn[n-]3)cc12 ZINC000826334259 607867839 /nfs/dbraw/zinc/86/78/39/607867839.db2.gz OAVXUGUZMXTHOS-UHFFFAOYSA-N -1 1 389.372 1.364 20 0 GDADMM Cc1nn(C)c2ncc(S(=O)(=O)Oc3cccc(F)c3-c3nn[n-]n3)cc12 ZINC000826334259 607867840 /nfs/dbraw/zinc/86/78/40/607867840.db2.gz OAVXUGUZMXTHOS-UHFFFAOYSA-N -1 1 389.372 1.364 20 0 GDADMM O=C1OCc2c1cccc2S(=O)(=O)Oc1cccc(F)c1-c1nnn[n-]1 ZINC000826483478 607868183 /nfs/dbraw/zinc/86/81/83/607868183.db2.gz OSEBIWSZABSNCT-UHFFFAOYSA-N -1 1 376.325 1.444 20 0 GDADMM O=C1OCc2c1cccc2S(=O)(=O)Oc1cccc(F)c1-c1nn[n-]n1 ZINC000826483478 607868184 /nfs/dbraw/zinc/86/81/84/607868184.db2.gz OSEBIWSZABSNCT-UHFFFAOYSA-N -1 1 376.325 1.444 20 0 GDADMM C[C@@]1(NS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CCOC1 ZINC000824838189 607907380 /nfs/dbraw/zinc/90/73/80/607907380.db2.gz NCOPYTAEVJBTPP-GFCCVEGCSA-N -1 1 377.348 1.343 20 0 GDADMM Cc1ccnc(CN2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)n1 ZINC000826308695 607924220 /nfs/dbraw/zinc/92/42/20/607924220.db2.gz LEOHBQNXZMKRAJ-UHFFFAOYSA-N -1 1 393.411 1.535 20 0 GDADMM CCOC(=O)CC[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000825508291 608041319 /nfs/dbraw/zinc/04/13/19/608041319.db2.gz WHYLIRRLNIGRGI-MRVPVSSYSA-N -1 1 380.430 1.151 20 0 GDADMM CN(Cc1ccc(Cl)c(F)c1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825966154 608097829 /nfs/dbraw/zinc/09/78/29/608097829.db2.gz QJQOFQFQDRMHNQ-UHFFFAOYSA-N -1 1 382.808 1.875 20 0 GDADMM CN(Cc1ccc(Cl)c(F)c1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825966154 608097830 /nfs/dbraw/zinc/09/78/30/608097830.db2.gz QJQOFQFQDRMHNQ-UHFFFAOYSA-N -1 1 382.808 1.875 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCO1 ZINC000824079869 608111402 /nfs/dbraw/zinc/11/14/02/608111402.db2.gz RMAOSSSRBVDTOD-RISCZKNCSA-N -1 1 383.449 1.878 20 0 GDADMM CCCn1c(C)nnc1CN1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000825351189 608159744 /nfs/dbraw/zinc/15/97/44/608159744.db2.gz AATWENJHDMRTPA-UHFFFAOYSA-N -1 1 398.475 1.364 20 0 GDADMM O=C(Nc1cn[nH]c1)C(=O)Nc1ccccc1Oc1ncccc1-c1nn[n-]n1 ZINC000826458737 608183179 /nfs/dbraw/zinc/18/31/79/608183179.db2.gz DFBZPPZLVPUDGL-UHFFFAOYSA-N -1 1 391.351 1.354 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C/C=C\c1ccc(F)cc1 ZINC000825923796 608211527 /nfs/dbraw/zinc/21/15/27/608211527.db2.gz WDNPAKGTOLOBGK-RQOWECAXSA-N -1 1 384.419 1.806 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C/C=C\c1ccc(F)cc1 ZINC000825923796 608211529 /nfs/dbraw/zinc/21/15/29/608211529.db2.gz WDNPAKGTOLOBGK-RQOWECAXSA-N -1 1 384.419 1.806 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccccc1-n1cccn1 ZINC000825934342 608212557 /nfs/dbraw/zinc/21/25/57/608212557.db2.gz NNUJLSVTGFFEGF-UHFFFAOYSA-N -1 1 392.427 1.063 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccccc1-n1cccn1 ZINC000825934342 608212559 /nfs/dbraw/zinc/21/25/59/608212559.db2.gz NNUJLSVTGFFEGF-UHFFFAOYSA-N -1 1 392.427 1.063 20 0 GDADMM CC(C)N(CC(=O)OC(C)(C)C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824288538 608240656 /nfs/dbraw/zinc/24/06/56/608240656.db2.gz JCPXHICIQIGMHL-UHFFFAOYSA-N -1 1 399.448 1.747 20 0 GDADMM CC(C)N(CC(=O)OC(C)(C)C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824288538 608240657 /nfs/dbraw/zinc/24/06/57/608240657.db2.gz JCPXHICIQIGMHL-UHFFFAOYSA-N -1 1 399.448 1.747 20 0 GDADMM O=C(CN1CCOC2(CCC2)C1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000826410878 608259182 /nfs/dbraw/zinc/25/91/82/608259182.db2.gz BDCGGRIUOKMXFZ-UHFFFAOYSA-N -1 1 394.439 1.246 20 0 GDADMM O=C(CN1CCOC2(CCC2)C1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000826410878 608259183 /nfs/dbraw/zinc/25/91/83/608259183.db2.gz BDCGGRIUOKMXFZ-UHFFFAOYSA-N -1 1 394.439 1.246 20 0 GDADMM O=S(=O)(NC[C@H]1COC2(CCCC2)O1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826490760 608304104 /nfs/dbraw/zinc/30/41/04/608304104.db2.gz GTQFRLHNLSCCKZ-JTQLQIEISA-N -1 1 399.860 1.484 20 0 GDADMM O=S(=O)(NC[C@H]1COC2(CCCC2)O1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826490760 608304107 /nfs/dbraw/zinc/30/41/07/608304107.db2.gz GTQFRLHNLSCCKZ-JTQLQIEISA-N -1 1 399.860 1.484 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000826496344 608306276 /nfs/dbraw/zinc/30/62/76/608306276.db2.gz SUMJIPCTLCXWGD-OLZOCXBDSA-N -1 1 395.460 1.833 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000826496344 608306277 /nfs/dbraw/zinc/30/62/77/608306277.db2.gz SUMJIPCTLCXWGD-OLZOCXBDSA-N -1 1 395.460 1.833 20 0 GDADMM Cc1nn(-c2ccccc2)c(CN(C)[C@H](C)CS(C)(=O)=O)c1-c1nn[n-]n1 ZINC000826332626 608313100 /nfs/dbraw/zinc/31/31/00/608313100.db2.gz ZWRTVAHQQHCDJE-GFCCVEGCSA-N -1 1 389.485 1.226 20 0 GDADMM Cc1nn(-c2ccccc2)c(CN2CCN(C)C(=O)C2(C)C)c1-c1nn[n-]n1 ZINC000826332362 608315978 /nfs/dbraw/zinc/31/59/78/608315978.db2.gz RFABWLLGMUPNGK-UHFFFAOYSA-N -1 1 380.456 1.413 20 0 GDADMM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F)C(C)(C)C ZINC000826111604 608333423 /nfs/dbraw/zinc/33/34/23/608333423.db2.gz ICCPWLSKIIKSSV-GFCCVEGCSA-N -1 1 385.421 1.013 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCC2CCSCC2)n1 ZINC000824147989 608352587 /nfs/dbraw/zinc/35/25/87/608352587.db2.gz KGJNZDIJDNKRGU-UHFFFAOYSA-N -1 1 392.489 1.016 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCC2CCSCC2)n1 ZINC000824147989 608352589 /nfs/dbraw/zinc/35/25/89/608352589.db2.gz KGJNZDIJDNKRGU-UHFFFAOYSA-N -1 1 392.489 1.016 20 0 GDADMM CC[C@@H](C)C[C@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825060544 608354660 /nfs/dbraw/zinc/35/46/60/608354660.db2.gz QNVJXIMMIQIKDW-MNOVXSKESA-N -1 1 376.465 1.698 20 0 GDADMM CC[C@@H](C)C[C@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825060544 608354662 /nfs/dbraw/zinc/35/46/62/608354662.db2.gz QNVJXIMMIQIKDW-MNOVXSKESA-N -1 1 376.465 1.698 20 0 GDADMM CCc1ncnc(N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)c1F ZINC000825755001 608396796 /nfs/dbraw/zinc/39/67/96/608396796.db2.gz MVOGXYJSHXJCRN-UHFFFAOYSA-N -1 1 385.407 1.550 20 0 GDADMM CCOc1ccc(C[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C(=O)OC)cc1 ZINC000825638728 608410219 /nfs/dbraw/zinc/41/02/19/608410219.db2.gz OJVVYRVKEOLDML-ZDUSSCGKSA-N -1 1 383.412 1.499 20 0 GDADMM CCOc1ccc(C[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C(=O)OC)cc1 ZINC000825638728 608410221 /nfs/dbraw/zinc/41/02/21/608410221.db2.gz OJVVYRVKEOLDML-ZDUSSCGKSA-N -1 1 383.412 1.499 20 0 GDADMM COc1cc(OC)cc(N2CCCN(c3ccc(-c4nnn[n-]4)nn3)CC2)c1 ZINC000826181144 608431559 /nfs/dbraw/zinc/43/15/59/608431559.db2.gz MIZDRMDNLVUYJP-UHFFFAOYSA-N -1 1 382.428 1.391 20 0 GDADMM COc1cc(OC)cc(N2CCCN(c3ccc(-c4nn[n-]n4)nn3)CC2)c1 ZINC000826181144 608431560 /nfs/dbraw/zinc/43/15/60/608431560.db2.gz MIZDRMDNLVUYJP-UHFFFAOYSA-N -1 1 382.428 1.391 20 0 GDADMM NC(=O)c1cc(Oc2cccc(Oc3ccc(-c4nnn[n-]4)nn3)c2)ccn1 ZINC000826392797 608441227 /nfs/dbraw/zinc/44/12/27/608441227.db2.gz NMRSEUIATNGNGX-UHFFFAOYSA-N -1 1 376.336 1.735 20 0 GDADMM NC(=O)c1cc(Oc2cccc(Oc3ccc(-c4nn[n-]n4)nn3)c2)ccn1 ZINC000826392797 608441229 /nfs/dbraw/zinc/44/12/29/608441229.db2.gz NMRSEUIATNGNGX-UHFFFAOYSA-N -1 1 376.336 1.735 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCc2cccc(F)c2C1 ZINC000826496559 608449112 /nfs/dbraw/zinc/44/91/12/608449112.db2.gz ZZXACPXORMRHAU-UHFFFAOYSA-N -1 1 377.376 1.892 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCc2cccc(F)c2C1 ZINC000826496559 608449113 /nfs/dbraw/zinc/44/91/13/608449113.db2.gz ZZXACPXORMRHAU-UHFFFAOYSA-N -1 1 377.376 1.892 20 0 GDADMM Cc1cc(C(=O)N2CCOCC2)ccc1NCc1ccnc(-c2nnn[n-]2)c1 ZINC000826258593 608477195 /nfs/dbraw/zinc/47/71/95/608477195.db2.gz PAPPMSOPXOPZOL-UHFFFAOYSA-N -1 1 379.424 1.655 20 0 GDADMM Cc1cc(C(=O)N2CCOCC2)ccc1NCc1ccnc(-c2nn[n-]n2)c1 ZINC000826258593 608477196 /nfs/dbraw/zinc/47/71/96/608477196.db2.gz PAPPMSOPXOPZOL-UHFFFAOYSA-N -1 1 379.424 1.655 20 0 GDADMM Cc1ccc(-c2nn[n-]n2)nc1NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000826280461 608541997 /nfs/dbraw/zinc/54/19/97/608541997.db2.gz CHABZKIZJSJQHY-UHFFFAOYSA-N -1 1 399.480 1.967 20 0 GDADMM Cc1ccc(-c2nn[n-]n2)nc1NCc1cccnc1N1CCC(C(N)=O)CC1 ZINC000826280424 608544055 /nfs/dbraw/zinc/54/40/55/608544055.db2.gz BBAUOSZWUQERDY-UHFFFAOYSA-N -1 1 393.455 1.279 20 0 GDADMM CCc1cnc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)s1 ZINC000825735283 608548412 /nfs/dbraw/zinc/54/84/12/608548412.db2.gz ONHJBOYLLLXZLT-UHFFFAOYSA-N -1 1 376.450 1.287 20 0 GDADMM CCc1cnc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)s1 ZINC000825735283 608548413 /nfs/dbraw/zinc/54/84/13/608548413.db2.gz ONHJBOYLLLXZLT-UHFFFAOYSA-N -1 1 376.450 1.287 20 0 GDADMM C[C@@H](OCc1ccccc1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824731330 608555961 /nfs/dbraw/zinc/55/59/61/608555961.db2.gz UMQKFXHXVNLBKP-GFCCVEGCSA-N -1 1 384.444 1.168 20 0 GDADMM C[C@@H](OCc1ccccc1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824731330 608555962 /nfs/dbraw/zinc/55/59/62/608555962.db2.gz UMQKFXHXVNLBKP-GFCCVEGCSA-N -1 1 384.444 1.168 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C[C@H]1CCc2ccccc21 ZINC000825923314 608557999 /nfs/dbraw/zinc/55/79/99/608557999.db2.gz GTQPMKXUCOQNDW-CYBMUJFWSA-N -1 1 380.456 1.683 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C[C@H]1CCc2ccccc21 ZINC000825923314 608558001 /nfs/dbraw/zinc/55/80/01/608558001.db2.gz GTQPMKXUCOQNDW-CYBMUJFWSA-N -1 1 380.456 1.683 20 0 GDADMM CCCCn1ncc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1C ZINC000825302168 608560592 /nfs/dbraw/zinc/56/05/92/608560592.db2.gz XVWJGYMWZWWGLJ-UHFFFAOYSA-N -1 1 386.464 1.182 20 0 GDADMM CCCCn1ncc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1C ZINC000825302168 608560596 /nfs/dbraw/zinc/56/05/96/608560596.db2.gz XVWJGYMWZWWGLJ-UHFFFAOYSA-N -1 1 386.464 1.182 20 0 GDADMM Cc1cc(C)cc(CCC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000826264675 608561080 /nfs/dbraw/zinc/56/10/80/608561080.db2.gz WGEMQLYQKGUNAU-UHFFFAOYSA-N -1 1 382.472 1.813 20 0 GDADMM Cc1cc(C)cc(CCC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000826264675 608561081 /nfs/dbraw/zinc/56/10/81/608561081.db2.gz WGEMQLYQKGUNAU-UHFFFAOYSA-N -1 1 382.472 1.813 20 0 GDADMM CN(Cc1cc(Br)cs1)C(=O)Cn1ccnc1-c1nnn[n-]1 ZINC000825953921 608894690 /nfs/dbraw/zinc/89/46/90/608894690.db2.gz RQQMRVSWLMDOTR-UHFFFAOYSA-N -1 1 382.247 1.546 20 0 GDADMM CN(Cc1cc(Br)cs1)C(=O)Cn1ccnc1-c1nn[n-]n1 ZINC000825953921 608894692 /nfs/dbraw/zinc/89/46/92/608894692.db2.gz RQQMRVSWLMDOTR-UHFFFAOYSA-N -1 1 382.247 1.546 20 0 GDADMM Cc1oc(NC(=O)[C@@H](C)N(C)Cc2cnc(N(C)C)nc2)c(-c2nn[n-]n2)c1C ZINC000826341579 609141911 /nfs/dbraw/zinc/14/19/11/609141911.db2.gz KZFCITMDAXETRM-LLVKDONJSA-N -1 1 399.459 1.392 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1ccc2scnc2c1 ZINC000825930313 609156911 /nfs/dbraw/zinc/15/69/11/609156911.db2.gz RYVMYZDLBSKQAR-UHFFFAOYSA-N -1 1 398.456 1.878 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1ccc2scnc2c1 ZINC000825930313 609156912 /nfs/dbraw/zinc/15/69/12/609156912.db2.gz RYVMYZDLBSKQAR-UHFFFAOYSA-N -1 1 398.456 1.878 20 0 GDADMM COCc1noc(COC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)n1 ZINC000826165621 609237682 /nfs/dbraw/zinc/23/76/82/609237682.db2.gz CBZZSASWLZFYFV-UHFFFAOYSA-N -1 1 385.340 1.445 20 0 GDADMM COCc1noc(COC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)n1 ZINC000826165621 609237683 /nfs/dbraw/zinc/23/76/83/609237683.db2.gz CBZZSASWLZFYFV-UHFFFAOYSA-N -1 1 385.340 1.445 20 0 GDADMM C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000824457419 609263503 /nfs/dbraw/zinc/26/35/03/609263503.db2.gz LVSDQBRLRNFSIB-VIFPVBQESA-N -1 1 380.334 1.224 20 0 GDADMM O=C(CCCn1cccn1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826406929 609288008 /nfs/dbraw/zinc/28/80/08/609288008.db2.gz SYIAHXBOYJDEHM-UHFFFAOYSA-N -1 1 381.375 1.807 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@H]1CCc2ccccc21 ZINC000825929784 609298849 /nfs/dbraw/zinc/29/88/49/609298849.db2.gz JMGAQBMRWMNLGZ-ZDUSSCGKSA-N -1 1 381.444 1.434 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@H]1CCc2ccccc21 ZINC000825929784 609298851 /nfs/dbraw/zinc/29/88/51/609298851.db2.gz JMGAQBMRWMNLGZ-ZDUSSCGKSA-N -1 1 381.444 1.434 20 0 GDADMM COc1cccc([C@@H](C)NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000826214252 609301049 /nfs/dbraw/zinc/30/10/49/609301049.db2.gz GBUSDFQHNQUGBC-LLVKDONJSA-N -1 1 399.459 1.516 20 0 GDADMM COc1cccc([C@@H](C)NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000826214252 609301050 /nfs/dbraw/zinc/30/10/50/609301050.db2.gz GBUSDFQHNQUGBC-LLVKDONJSA-N -1 1 399.459 1.516 20 0 GDADMM C[C@@H]1CC[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)[C@@H](C)C1 ZINC000824915983 609301879 /nfs/dbraw/zinc/30/18/79/609301879.db2.gz JBNFJTYXUPGNJQ-WOPDTQHZSA-N -1 1 375.481 1.571 20 0 GDADMM C[C@@H]1CC[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)[C@@H](C)C1 ZINC000824915983 609301881 /nfs/dbraw/zinc/30/18/81/609301881.db2.gz JBNFJTYXUPGNJQ-WOPDTQHZSA-N -1 1 375.481 1.571 20 0 GDADMM C[C@@H]1Cc2ccccc2[C@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825015110 609301978 /nfs/dbraw/zinc/30/19/78/609301978.db2.gz ZVZFRCKYHNALAH-BZNIZROVSA-N -1 1 395.471 1.680 20 0 GDADMM C[C@@H]1Cc2ccccc2[C@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825015110 609301979 /nfs/dbraw/zinc/30/19/79/609301979.db2.gz ZVZFRCKYHNALAH-BZNIZROVSA-N -1 1 395.471 1.680 20 0 GDADMM CC(C)CC(C)(C)CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824229534 609305456 /nfs/dbraw/zinc/30/54/56/609305456.db2.gz RYZHKBBXNKUWFP-UHFFFAOYSA-N -1 1 377.497 1.818 20 0 GDADMM CC(C)CC(C)(C)CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824229534 609305458 /nfs/dbraw/zinc/30/54/58/609305458.db2.gz RYZHKBBXNKUWFP-UHFFFAOYSA-N -1 1 377.497 1.818 20 0 GDADMM CSCC[C@H](O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826228491 609313029 /nfs/dbraw/zinc/31/30/29/609313029.db2.gz QRNXHMZGFISONJ-NSHDSACASA-N -1 1 377.405 1.244 20 0 GDADMM Cc1nc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)c(=O)[nH]c1C ZINC000826323332 609313722 /nfs/dbraw/zinc/31/37/22/609313722.db2.gz ADLDNHCROWMJFA-UHFFFAOYSA-N -1 1 395.358 1.144 20 0 GDADMM Cc1ncc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)c(N)n1 ZINC000826329582 609351473 /nfs/dbraw/zinc/35/14/73/609351473.db2.gz JRWBARGTKSVCNC-UHFFFAOYSA-N -1 1 380.347 1.124 20 0 GDADMM C[C@H]1CCCCN1C(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824938853 609353318 /nfs/dbraw/zinc/35/33/18/609353318.db2.gz WNYWYJWGICJFQS-NSHDSACASA-N -1 1 398.402 1.531 20 0 GDADMM Cc1cnn(CCNC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)c1 ZINC000826320143 609359408 /nfs/dbraw/zinc/35/94/08/609359408.db2.gz ICHCEMHWVDTBQW-UHFFFAOYSA-N -1 1 396.390 1.518 20 0 GDADMM Cc1onc(CC(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)c1-c1nnn[n-]1 ZINC000826343803 609470066 /nfs/dbraw/zinc/47/00/66/609470066.db2.gz NSIDGWWMOBPFIB-IINYFYTJSA-N -1 1 390.350 1.318 20 0 GDADMM Cc1onc(CC(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)c1-c1nn[n-]n1 ZINC000826343803 609470068 /nfs/dbraw/zinc/47/00/68/609470068.db2.gz NSIDGWWMOBPFIB-IINYFYTJSA-N -1 1 390.350 1.318 20 0 GDADMM Cc1noc(C2CC2)c1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000826339752 609506366 /nfs/dbraw/zinc/50/63/66/609506366.db2.gz RQRYZPIKPGGPII-JTQLQIEISA-N -1 1 395.427 1.181 20 0 GDADMM Cc1noc(C2CC2)c1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000826339752 609506368 /nfs/dbraw/zinc/50/63/68/609506368.db2.gz RQRYZPIKPGGPII-JTQLQIEISA-N -1 1 395.427 1.181 20 0 GDADMM O=C1[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCCN1c1cccnc1 ZINC000826477778 609599860 /nfs/dbraw/zinc/59/98/60/609599860.db2.gz LLOZVPZNMKDKHD-VIFPVBQESA-N -1 1 376.833 1.979 20 0 GDADMM O=C1[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCCN1c1cccnc1 ZINC000826477778 609599862 /nfs/dbraw/zinc/59/98/62/609599862.db2.gz LLOZVPZNMKDKHD-VIFPVBQESA-N -1 1 376.833 1.979 20 0 GDADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 ZINC000532417038 650024494 /nfs/dbraw/zinc/02/44/94/650024494.db2.gz PXYNDYUHAFEIJT-UHFFFAOYSA-N -1 1 387.460 1.885 20 0 GDADMM C[C@H](C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F)S(C)(=O)=O ZINC000533148724 650043726 /nfs/dbraw/zinc/04/37/26/650043726.db2.gz FJERGWGQISHTLY-ZCFIWIBFSA-N -1 1 392.243 1.439 20 0 GDADMM Cc1cnccc1CCNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000533636275 650211460 /nfs/dbraw/zinc/21/14/60/650211460.db2.gz GWCWILBDSSLAJA-UHFFFAOYSA-N -1 1 387.458 1.422 20 0 GDADMM CN(C)S(=O)(=O)c1cc(C(=O)[N-]c2sccc2S(C)(=O)=O)co1 ZINC000534473980 650222324 /nfs/dbraw/zinc/22/23/24/650222324.db2.gz VFGFWKGZXSPTAG-UHFFFAOYSA-N -1 1 378.453 1.247 20 0 GDADMM Cc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1S(C)(=O)=O ZINC000534689254 650228610 /nfs/dbraw/zinc/22/86/10/650228610.db2.gz ZUYSWXITIRSFRT-UHFFFAOYSA-N -1 1 381.435 1.781 20 0 GDADMM COc1cc(NC(=O)N[C@H](CO)CC(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000536056949 650264070 /nfs/dbraw/zinc/26/40/70/650264070.db2.gz GUYPPGCZDILYJU-VIFPVBQESA-N -1 1 385.364 1.502 20 0 GDADMM COc1ccc(NC(=O)N2CC(OCC(F)F)C2)cc1[N-]S(C)(=O)=O ZINC000537515286 650294100 /nfs/dbraw/zinc/29/41/00/650294100.db2.gz HLKDWEAZFAUNDK-UHFFFAOYSA-N -1 1 379.385 1.565 20 0 GDADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cn(C)cn1)c1ccc(OC(F)F)cc1 ZINC000539223018 650331175 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20 0 GDADMM CCCN(C(=O)c1cnc(I)c(O)c1)[C@H](C)C(=O)[O-] ZINC000911706594 660017355 /nfs/dbraw/zinc/01/73/55/660017355.db2.gz IHZJTVHIACMFAI-SSDOTTSWSA-N -1 1 378.166 1.717 20 0 GDADMM CCN(C(=O)c1ccc(S(=O)(=O)[N-]C)o1)[C@H]1CCN(CC(F)(F)F)C1 ZINC000912492809 660039827 /nfs/dbraw/zinc/03/98/27/660039827.db2.gz XGFXLXGCOCEHKW-JTQLQIEISA-N -1 1 383.392 1.286 20 0 GDADMM CC[C@@H](C[N-]S(=O)(=O)c1n[nH]cc1C(=O)OC)Oc1ccccc1Cl ZINC000912541577 660041856 /nfs/dbraw/zinc/04/18/56/660041856.db2.gz HZOWUDZYEVFOGW-JTQLQIEISA-N -1 1 387.845 1.986 20 0 GDADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000912548944 660042312 /nfs/dbraw/zinc/04/23/12/660042312.db2.gz ZCSGVEBTQROCRI-NSHDSACASA-N -1 1 384.845 1.407 20 0 GDADMM O=C(CCCc1ccc(Br)cc1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913493589 660082526 /nfs/dbraw/zinc/08/25/26/660082526.db2.gz CNEWWGGCGVBTCC-CYBMUJFWSA-N -1 1 380.246 1.885 20 0 GDADMM COc1cc(C)c(Br)cc1C(=O)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913496711 660083360 /nfs/dbraw/zinc/08/33/60/660083360.db2.gz ARJDCDPSFBFSSF-LLVKDONJSA-N -1 1 382.218 1.493 20 0 GDADMM O=C(c1cc(Cl)cc(Br)c1F)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913497206 660083627 /nfs/dbraw/zinc/08/36/27/660083627.db2.gz IKXWHRDURZTIPS-VIFPVBQESA-N -1 1 390.600 1.968 20 0 GDADMM O=C(c1ccc(Br)c(Cl)c1F)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913498662 660083938 /nfs/dbraw/zinc/08/39/38/660083938.db2.gz PXSNNXZWZDJBKR-MRVPVSSYSA-N -1 1 390.600 1.968 20 0 GDADMM O=C(CCc1cccc(F)c1Br)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913497894 660083962 /nfs/dbraw/zinc/08/39/62/660083962.db2.gz MIBNCNXQYIZAOV-NSHDSACASA-N -1 1 384.209 1.634 20 0 GDADMM O=C(c1cc(F)c(Br)c(Cl)c1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913499583 660084264 /nfs/dbraw/zinc/08/42/64/660084264.db2.gz WJPCYWYKWJYYMB-SECBINFHSA-N -1 1 390.600 1.968 20 0 GDADMM O=C(c1cc2c(c(Br)c1)OCO2)N1CCC(c2nn[n-]n2)CC1 ZINC000913743279 660095125 /nfs/dbraw/zinc/09/51/25/660095125.db2.gz NRZQANPUVJMPCM-UHFFFAOYSA-N -1 1 380.202 1.711 20 0 GDADMM COC(=O)[C@H]([N-]S(=O)(=O)C1CCC(C(=O)OC)CC1)c1cccs1 ZINC000914091255 660115454 /nfs/dbraw/zinc/11/54/54/660115454.db2.gz YBGKOLVNWYKIEU-GCZXYKMCSA-N -1 1 375.468 1.613 20 0 GDADMM CC(C)N1C(=O)C[C@H]([N-]S(=O)(=O)Cc2ccsc2Br)C1=O ZINC000914221097 660128529 /nfs/dbraw/zinc/12/85/29/660128529.db2.gz ORMFCHKALVLCCS-VIFPVBQESA-N -1 1 395.300 1.466 20 0 GDADMM C[C@@H]1C[C@H]([N-]S(=O)(=O)Cc2cc3c(cc2Br)OCO3)C(=O)O1 ZINC000915657813 660175988 /nfs/dbraw/zinc/17/59/88/660175988.db2.gz YWSVXKYFUUIZJQ-XCBNKYQSSA-N -1 1 392.227 1.301 20 0 GDADMM C[C@H](O)[C@H]([N-]S(=O)(=O)CCCC(C)(F)F)C(=O)OCc1ccccc1 ZINC000915865844 660180355 /nfs/dbraw/zinc/18/03/55/660180355.db2.gz NTHCGJQRIWMTHW-JSGCOSHPSA-N -1 1 379.425 1.834 20 0 GDADMM C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC000798148238 677679302 /nfs/dbraw/zinc/67/93/02/677679302.db2.gz UAEADHGXJNUXKQ-VIFPVBQESA-N -1 1 386.239 1.784 20 0 GDADMM Cc1oc(NC(=O)CN2CCCN(C(=O)C(C)C)CC2)c(-c2nn[n-]n2)c1C ZINC000737553958 945097211 /nfs/dbraw/zinc/09/72/11/945097211.db2.gz YICKTUMZCJKPOS-UHFFFAOYSA-N -1 1 389.460 1.205 20 0 GDADMM CCO[C@H]1C[C@@](NC(=O)c2cccc(N3CCN(C)CC3)n2)(C(=O)[O-])C1(C)C ZINC000909605851 939722714 /nfs/dbraw/zinc/72/27/14/939722714.db2.gz ZVYRVCGUTXUSLH-MGPUTAFESA-N -1 1 390.484 1.222 20 0 GDADMM CO[C@@H]1CCC[C@H]([C@H](NC(=O)c2cccc(N3CCN(C)CC3)n2)C(=O)[O-])C1 ZINC000909910642 939741912 /nfs/dbraw/zinc/74/19/12/939741912.db2.gz BAXSQGKUIORHBE-DAYGRLMNSA-N -1 1 390.484 1.222 20 0 GDADMM C[C@@](NC(=O)c1[nH]nc2c1CCCC2)(C(=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000653671319 939839230 /nfs/dbraw/zinc/83/92/30/939839230.db2.gz FTXWDMSRSRKWIA-SFHVURJKSA-N -1 1 391.449 1.422 20 0 GDADMM O=S(=O)(Cc1csc(-c2nn[n-]n2)c1)NCCc1ccc(F)cc1F ZINC001571258547 945356891 /nfs/dbraw/zinc/35/68/91/945356891.db2.gz VSMNLYDSTLIVGQ-UHFFFAOYSA-N -1 1 385.421 1.869 20 0 GDADMM CNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)c1 ZINC000736877405 944904182 /nfs/dbraw/zinc/90/41/82/944904182.db2.gz KOGOGEQOWRTDCN-UHFFFAOYSA-N -1 1 386.437 1.644 20 0 GDADMM C[C@H]1CN(C(=O)c2cncs2)CC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571261396 945426898 /nfs/dbraw/zinc/42/68/98/945426898.db2.gz DPOUHKVKIFEWFR-WDEREUQCSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H]1CN(C(=O)c2cncs2)CC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571261396 945426911 /nfs/dbraw/zinc/42/69/11/945426911.db2.gz DPOUHKVKIFEWFR-WDEREUQCSA-N -1 1 385.457 1.324 20 0 GDADMM O=C(Cc1cscn1)N1CC[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571262950 945445626 /nfs/dbraw/zinc/44/56/26/945445626.db2.gz CVNSEZJSKAPMAJ-NSHDSACASA-N -1 1 385.457 1.006 20 0 GDADMM O=C(Cc1cscn1)N1CC[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571262950 945445634 /nfs/dbraw/zinc/44/56/34/945445634.db2.gz CVNSEZJSKAPMAJ-NSHDSACASA-N -1 1 385.457 1.006 20 0 GDADMM Cc1nscc1C(=O)NCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571263425 945458002 /nfs/dbraw/zinc/45/80/02/945458002.db2.gz PSFSOUWTSFMINX-UHFFFAOYSA-N -1 1 385.457 1.068 20 0 GDADMM Cc1nscc1C(=O)NCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571263425 945458011 /nfs/dbraw/zinc/45/80/11/945458011.db2.gz PSFSOUWTSFMINX-UHFFFAOYSA-N -1 1 385.457 1.068 20 0 GDADMM Cc1nsc(N2CC[C@H](NC(=O)c3ccncn3)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571263386 945458051 /nfs/dbraw/zinc/45/80/51/945458051.db2.gz OWTNNBUKTQVIOM-KOLCDFICSA-N -1 1 385.457 1.209 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCCN(C(=O)c3ccsn3)C2)n1 ZINC001571263475 945459368 /nfs/dbraw/zinc/45/93/68/945459368.db2.gz RFTZSPBWUOSELF-LLVKDONJSA-N -1 1 385.457 1.386 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCCN(C(=O)c3ccsn3)C2)n1 ZINC001571263475 945459374 /nfs/dbraw/zinc/45/93/74/945459374.db2.gz RFTZSPBWUOSELF-LLVKDONJSA-N -1 1 385.457 1.386 20 0 GDADMM Cc1nscc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C ZINC001571263569 945461918 /nfs/dbraw/zinc/46/19/18/945461918.db2.gz UDBKAOVWKXIPTO-GFCCVEGCSA-N -1 1 385.457 1.066 20 0 GDADMM Cc1nscc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C ZINC001571263569 945461925 /nfs/dbraw/zinc/46/19/25/945461925.db2.gz UDBKAOVWKXIPTO-GFCCVEGCSA-N -1 1 385.457 1.066 20 0 GDADMM Cc1nsc(N2CC[C@]3(NC(=O)c4cn[nH]c4)CCC[C@H]23)c1-c1nn[n-]n1 ZINC001571263898 945469562 /nfs/dbraw/zinc/46/95/62/945469562.db2.gz ZHMFXQAGVPRCKE-MEDUHNTESA-N -1 1 385.457 1.286 20 0 GDADMM CO[C@H](C)C(=O)N1CC[C@](C)(CNc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571265023 945497663 /nfs/dbraw/zinc/49/76/63/945497663.db2.gz CLQQHZIJQUDRHF-XLKFXECMSA-N -1 1 385.881 1.662 20 0 GDADMM CO[C@H](C)C(=O)N1CC[C@](C)(CNc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571265023 945497666 /nfs/dbraw/zinc/49/76/66/945497666.db2.gz CLQQHZIJQUDRHF-XLKFXECMSA-N -1 1 385.881 1.662 20 0 GDADMM O=C(N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)c1ccc(Cl)cn1 ZINC001571265187 945502581 /nfs/dbraw/zinc/50/25/81/945502581.db2.gz GLLWSYJUYJKAGS-LLVKDONJSA-N -1 1 385.819 1.104 20 0 GDADMM O=C(N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)c1ccc(Cl)cn1 ZINC001571265187 945502583 /nfs/dbraw/zinc/50/25/83/945502583.db2.gz GLLWSYJUYJKAGS-LLVKDONJSA-N -1 1 385.819 1.104 20 0 GDADMM Cc1nsc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2[C@@H]3CCC[C@@H]32)c1-c1nn[n-]n1 ZINC001571265347 945507606 /nfs/dbraw/zinc/50/76/06/945507606.db2.gz HVYYVHCZTNXAQZ-NYEGDDQHSA-N -1 1 385.497 1.857 20 0 GDADMM CO[C@H](C(=O)N1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)CC1)C(C)C ZINC001571265369 945509328 /nfs/dbraw/zinc/50/93/28/945509328.db2.gz IMGHCCBTGZKMHD-JTQLQIEISA-N -1 1 385.881 1.296 20 0 GDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC001571267704 945577914 /nfs/dbraw/zinc/57/79/14/945577914.db2.gz CIWCAGVNSFRWQD-JTQLQIEISA-N -1 1 386.412 1.737 20 0 GDADMM Cc1nsc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(F)cn2)c1-c1nn[n-]n1 ZINC001571268985 945610035 /nfs/dbraw/zinc/61/00/35/945610035.db2.gz LWSMOPZIDGUDCS-IWIIMEHWSA-N -1 1 386.416 1.030 20 0 GDADMM O=C(N1CC[C@@H]2[C@@H](CCN2c2nccnc2-c2nnn[n-]2)C1)C1(CF)CCC1 ZINC001571269313 945618075 /nfs/dbraw/zinc/61/80/75/945618075.db2.gz VCEUZUPHZDWPKN-QWHCGFSZSA-N -1 1 386.435 1.224 20 0 GDADMM O=C(N1CC[C@@H]2[C@@H](CCN2c2nccnc2-c2nn[n-]n2)C1)C1(CF)CCC1 ZINC001571269313 945618079 /nfs/dbraw/zinc/61/80/79/945618079.db2.gz VCEUZUPHZDWPKN-QWHCGFSZSA-N -1 1 386.435 1.224 20 0 GDADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC001571269927 945627852 /nfs/dbraw/zinc/62/78/52/945627852.db2.gz IADHWPRCDXKLNP-GXFFZTMASA-N -1 1 386.437 1.939 20 0 GDADMM COc1ccsc1C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)[C@@H]1C ZINC001571270372 945635668 /nfs/dbraw/zinc/63/56/68/945635668.db2.gz RSIMUBRFIFQFRQ-UWVGGRQHSA-N -1 1 386.441 1.442 20 0 GDADMM COc1ccsc1C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)[C@@H]1C ZINC001571270372 945635675 /nfs/dbraw/zinc/63/56/75/945635675.db2.gz RSIMUBRFIFQFRQ-UWVGGRQHSA-N -1 1 386.441 1.442 20 0 GDADMM C[C@@H]1CCN(C(=O)C[C@H]2CCOC2)[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571272447 945663213 /nfs/dbraw/zinc/66/32/13/945663213.db2.gz DYEKFWCEEOEHGR-MCIONIFRSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H]1CCN(C(=O)C[C@H]2CCOC2)[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571272447 945663214 /nfs/dbraw/zinc/66/32/14/945663214.db2.gz DYEKFWCEEOEHGR-MCIONIFRSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H]1CCN(C(=O)C[C@@H]2CCOC2)[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571272448 945664405 /nfs/dbraw/zinc/66/44/05/945664405.db2.gz DYEKFWCEEOEHGR-RDBSUJKOSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H]1CCN(C(=O)C[C@@H]2CCOC2)[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571272448 945664408 /nfs/dbraw/zinc/66/44/08/945664408.db2.gz DYEKFWCEEOEHGR-RDBSUJKOSA-N -1 1 386.460 1.122 20 0 GDADMM O=C([C@H]1CCCOC1)N1CCCCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571272842 945672891 /nfs/dbraw/zinc/67/28/91/945672891.db2.gz JJNMEBLTKUZXMH-KBPBESRZSA-N -1 1 386.460 1.266 20 0 GDADMM O=C([C@H]1CCCOC1)N1CCCCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571272842 945672900 /nfs/dbraw/zinc/67/29/00/945672900.db2.gz JJNMEBLTKUZXMH-KBPBESRZSA-N -1 1 386.460 1.266 20 0 GDADMM O=C(C[C@@H]1CCCOC1)N1CC[C@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001571272988 945676123 /nfs/dbraw/zinc/67/61/23/945676123.db2.gz MHVLRUSOWLGMNE-KBPBESRZSA-N -1 1 386.460 1.124 20 0 GDADMM O=C(C[C@@H]1CCCOC1)N1CC[C@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001571272988 945676130 /nfs/dbraw/zinc/67/61/30/945676130.db2.gz MHVLRUSOWLGMNE-KBPBESRZSA-N -1 1 386.460 1.124 20 0 GDADMM O=C(C1CCCCCC1)N1CCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571272987 945676170 /nfs/dbraw/zinc/67/61/70/945676170.db2.gz MHTXAGSKLWMUJM-CQSZACIVSA-N -1 1 386.460 1.266 20 0 GDADMM O=C(C1CCCCCC1)N1CCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571272987 945676176 /nfs/dbraw/zinc/67/61/76/945676176.db2.gz MHTXAGSKLWMUJM-CQSZACIVSA-N -1 1 386.460 1.266 20 0 GDADMM CO[C@H](C(=O)N1CCC([C@H](C)Nc2nccnc2-c2nnn[n-]2)CC1)C1CC1 ZINC001571273076 945678376 /nfs/dbraw/zinc/67/83/76/945678376.db2.gz ONPQQEBGFLMVHD-NHYWBVRUSA-N -1 1 386.460 1.121 20 0 GDADMM CO[C@H](C(=O)N1CCC([C@H](C)Nc2nccnc2-c2nn[n-]n2)CC1)C1CC1 ZINC001571273076 945678379 /nfs/dbraw/zinc/67/83/79/945678379.db2.gz ONPQQEBGFLMVHD-NHYWBVRUSA-N -1 1 386.460 1.121 20 0 GDADMM COC1CCC(CC(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001571273090 945680300 /nfs/dbraw/zinc/68/03/00/945680300.db2.gz OWQDKKPYALIIIR-AEBJDNRDSA-N -1 1 386.460 1.311 20 0 GDADMM COC1CCC(CC(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001571273090 945680306 /nfs/dbraw/zinc/68/03/06/945680306.db2.gz OWQDKKPYALIIIR-AEBJDNRDSA-N -1 1 386.460 1.311 20 0 GDADMM O=C(c1occc1Cl)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001571274294 945694911 /nfs/dbraw/zinc/69/49/11/945694911.db2.gz FBKXVAPURASQPP-AOOOYVTPSA-N -1 1 386.803 1.112 20 0 GDADMM O=C(c1occc1Cl)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001571274294 945694917 /nfs/dbraw/zinc/69/49/17/945694917.db2.gz FBKXVAPURASQPP-AOOOYVTPSA-N -1 1 386.803 1.112 20 0 GDADMM CCOC1CC(CC(=O)N2CCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571275714 945713598 /nfs/dbraw/zinc/71/35/98/945713598.db2.gz BFQSDCBFUGLWSH-ROKHWSDSSA-N -1 1 386.460 1.265 20 0 GDADMM CCOC1CC(CC(=O)N2CCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571275714 945713600 /nfs/dbraw/zinc/71/36/00/945713600.db2.gz BFQSDCBFUGLWSH-ROKHWSDSSA-N -1 1 386.460 1.265 20 0 GDADMM CC1(C)CN(C(=O)CC[C@@H]2CCCO2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571275876 945717964 /nfs/dbraw/zinc/71/79/64/945717964.db2.gz DWISDRJUDMDUFI-GXTWGEPZSA-N -1 1 386.460 1.265 20 0 GDADMM CC1(C)CN(C(=O)CC[C@@H]2CCCO2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571275876 945717969 /nfs/dbraw/zinc/71/79/69/945717969.db2.gz DWISDRJUDMDUFI-GXTWGEPZSA-N -1 1 386.460 1.265 20 0 GDADMM CC1(C)CN(C(=O)[C@]2(C)CCCOC2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571275866 945718523 /nfs/dbraw/zinc/71/85/23/945718523.db2.gz DKZPRBZBQRFYIG-FZKQIMNGSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CN(C(=O)[C@]2(C)CCCOC2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571275866 945718529 /nfs/dbraw/zinc/71/85/29/945718529.db2.gz DKZPRBZBQRFYIG-FZKQIMNGSA-N -1 1 386.460 1.122 20 0 GDADMM CCOC1CC(C(=O)N2CCCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571276601 945732055 /nfs/dbraw/zinc/73/20/55/945732055.db2.gz JLCLQTPYKBKCLH-ROKHWSDSSA-N -1 1 386.460 1.265 20 0 GDADMM CCOC1CC(C(=O)N2CCCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571276601 945732059 /nfs/dbraw/zinc/73/20/59/945732059.db2.gz JLCLQTPYKBKCLH-ROKHWSDSSA-N -1 1 386.460 1.265 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)[C@@H]1CCCCO1 ZINC001571279645 945784127 /nfs/dbraw/zinc/78/41/27/945784127.db2.gz XIYZTDMFTQTIOG-STQMWFEESA-N -1 1 386.460 1.265 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)[C@@H]1CCCCO1 ZINC001571279645 945784131 /nfs/dbraw/zinc/78/41/31/945784131.db2.gz XIYZTDMFTQTIOG-STQMWFEESA-N -1 1 386.460 1.265 20 0 GDADMM Cc1nsc(N2CCC[C@@H](NC(=O)Cc3ccco3)[C@@H]2C)c1-c1nn[n-]n1 ZINC001571281413 945803816 /nfs/dbraw/zinc/80/38/16/945803816.db2.gz IGIOTHZVNMJLJU-WCQYABFASA-N -1 1 387.469 1.941 20 0 GDADMM Cc1ncn(C)c1C(=O)N1CCCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001571282204 945833869 /nfs/dbraw/zinc/83/38/69/945833869.db2.gz UOGMHDHNPKXWLM-UHFFFAOYSA-N -1 1 387.473 1.026 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(Cl)[nH]2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571283563 945885957 /nfs/dbraw/zinc/88/59/57/945885957.db2.gz GHJAVCJWWSJULE-UWVGGRQHSA-N -1 1 387.835 1.458 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(Cl)[nH]2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571283563 945885968 /nfs/dbraw/zinc/88/59/68/945885968.db2.gz GHJAVCJWWSJULE-UWVGGRQHSA-N -1 1 387.835 1.458 20 0 GDADMM C[C@]1(CNc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)c2cc(Cl)c[nH]2)C1 ZINC001571284387 945898746 /nfs/dbraw/zinc/89/87/46/945898746.db2.gz PINBDLSRHVHLDB-MRXNPFEDSA-N -1 1 387.835 1.603 20 0 GDADMM C[C@]1(CNc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)c2cc(Cl)c[nH]2)C1 ZINC001571284387 945898758 /nfs/dbraw/zinc/89/87/58/945898758.db2.gz PINBDLSRHVHLDB-MRXNPFEDSA-N -1 1 387.835 1.603 20 0 GDADMM Cn1cc(Cl)cc1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571285562 945920334 /nfs/dbraw/zinc/92/03/34/945920334.db2.gz IEGSQPQPMJXHGQ-LLVKDONJSA-N -1 1 387.835 1.047 20 0 GDADMM O=C(N[C@@H]1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1cc(Cl)c[nH]1 ZINC001571285558 945921204 /nfs/dbraw/zinc/92/12/04/945921204.db2.gz IDVKOAXAHBAHRO-GXSJLCMTSA-N -1 1 387.835 1.649 20 0 GDADMM O=C(N[C@@H]1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1cc(Cl)c[nH]1 ZINC001571285558 945921214 /nfs/dbraw/zinc/92/12/14/945921214.db2.gz IDVKOAXAHBAHRO-GXSJLCMTSA-N -1 1 387.835 1.649 20 0 GDADMM O=C(N[C@H]1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)c1cc(Cl)c[nH]1 ZINC001571286036 945934934 /nfs/dbraw/zinc/93/49/34/945934934.db2.gz VOTXCVBVHYBBDY-KOLCDFICSA-N -1 1 387.835 1.649 20 0 GDADMM O=C(N[C@H]1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)c1cc(Cl)c[nH]1 ZINC001571286036 945934946 /nfs/dbraw/zinc/93/49/46/945934946.db2.gz VOTXCVBVHYBBDY-KOLCDFICSA-N -1 1 387.835 1.649 20 0 GDADMM C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001571286281 945942417 /nfs/dbraw/zinc/94/24/17/945942417.db2.gz DDHCVDHMRVSRLK-MNOVXSKESA-N -1 1 388.432 1.781 20 0 GDADMM C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001571286281 945942429 /nfs/dbraw/zinc/94/24/29/945942429.db2.gz DDHCVDHMRVSRLK-MNOVXSKESA-N -1 1 388.432 1.781 20 0 GDADMM CC1(C)CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1NC(=O)c1ccc(F)s1 ZINC001571286733 945957301 /nfs/dbraw/zinc/95/73/01/945957301.db2.gz QAEBKCPLJUCJKZ-LLVKDONJSA-N -1 1 388.432 1.502 20 0 GDADMM CC1(C)CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1NC(=O)c1ccc(F)s1 ZINC001571286733 945957311 /nfs/dbraw/zinc/95/73/11/945957311.db2.gz QAEBKCPLJUCJKZ-LLVKDONJSA-N -1 1 388.432 1.502 20 0 GDADMM O=C(NCc1ccc2c(c1)CN(c1ccc(-c3nnn[n-]3)nn1)C2)C1=CCCC1 ZINC001571288704 945990936 /nfs/dbraw/zinc/99/09/36/945990936.db2.gz RIWHZZHRWVKTEZ-UHFFFAOYSA-N -1 1 388.435 1.903 20 0 GDADMM O=C(NCc1ccc2c(c1)CN(c1ccc(-c3nn[n-]n3)nn1)C2)C1=CCCC1 ZINC001571288704 945990939 /nfs/dbraw/zinc/99/09/39/945990939.db2.gz RIWHZZHRWVKTEZ-UHFFFAOYSA-N -1 1 388.435 1.903 20 0 GDADMM Cc1nc(C(=O)N[C@H]2CC[C@H](C)N(c3snc(C)c3-c3nn[n-]n3)C2)co1 ZINC001571289416 946007801 /nfs/dbraw/zinc/00/78/01/946007801.db2.gz CKWJVQGKZNBMST-KWQFWETISA-N -1 1 388.457 1.715 20 0 GDADMM O=C(N1CCC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)C1(F)CCCCC1 ZINC001571289506 946009193 /nfs/dbraw/zinc/00/91/93/946009193.db2.gz GFUKLXPAZYIQTO-CYBMUJFWSA-N -1 1 388.451 1.980 20 0 GDADMM O=C(N1CCC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)C1(F)CCCCC1 ZINC001571289506 946009200 /nfs/dbraw/zinc/00/92/00/946009200.db2.gz GFUKLXPAZYIQTO-CYBMUJFWSA-N -1 1 388.451 1.980 20 0 GDADMM CCc1nc(NC[C@H]2CN(C(=O)C(C)(C)CC)CCO2)cc(-c2nnn[n-]2)n1 ZINC001571289734 946017444 /nfs/dbraw/zinc/01/74/44/946017444.db2.gz LIQNRVURLNCZQQ-LBPRGKRZSA-N -1 1 388.476 1.295 20 0 GDADMM CCc1nc(NC[C@H]2CN(C(=O)C(C)(C)CC)CCO2)cc(-c2nn[n-]n2)n1 ZINC001571289734 946017453 /nfs/dbraw/zinc/01/74/53/946017453.db2.gz LIQNRVURLNCZQQ-LBPRGKRZSA-N -1 1 388.476 1.295 20 0 GDADMM CCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCN(C(=O)[C@@H](OC)C(C)C)CC1 ZINC001571289807 946018320 /nfs/dbraw/zinc/01/83/20/946018320.db2.gz MZWYMGBMLUXUAT-HNNXBMFYSA-N -1 1 388.476 1.511 20 0 GDADMM CCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCN(C(=O)[C@@H](OC)C(C)C)CC1 ZINC001571289807 946018331 /nfs/dbraw/zinc/01/83/31/946018331.db2.gz MZWYMGBMLUXUAT-HNNXBMFYSA-N -1 1 388.476 1.511 20 0 GDADMM CO[C@H](C(=O)N1CCC[C@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1)C(C)C ZINC001571289988 946026906 /nfs/dbraw/zinc/02/69/06/946026906.db2.gz RXAPXIAWMQAIHW-CJNGLKHVSA-N -1 1 388.476 1.003 20 0 GDADMM CO[C@H](C(=O)N1CCC[C@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1)C(C)C ZINC001571289988 946026919 /nfs/dbraw/zinc/02/69/19/946026919.db2.gz RXAPXIAWMQAIHW-CJNGLKHVSA-N -1 1 388.476 1.003 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cccc(F)c1Cl ZINC001571290346 946038440 /nfs/dbraw/zinc/03/84/40/946038440.db2.gz BDQSWBHMEKKNAD-DTORHVGOSA-N -1 1 388.794 1.822 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cccc(F)c1Cl ZINC001571290346 946038452 /nfs/dbraw/zinc/03/84/52/946038452.db2.gz BDQSWBHMEKKNAD-DTORHVGOSA-N -1 1 388.794 1.822 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cc(Cl)ccc1F ZINC001571290494 946045281 /nfs/dbraw/zinc/04/52/81/946045281.db2.gz GTSNFDWIPBHFAP-MGCOHNPYSA-N -1 1 388.794 1.244 20 0 GDADMM O=C(N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccc(F)cc1Cl ZINC001571290908 946060266 /nfs/dbraw/zinc/06/02/66/946060266.db2.gz UHYOCSYEJCUNOW-JTQLQIEISA-N -1 1 388.794 1.458 20 0 GDADMM O=C(N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccc(F)cc1Cl ZINC001571290908 946060279 /nfs/dbraw/zinc/06/02/79/946060279.db2.gz UHYOCSYEJCUNOW-JTQLQIEISA-N -1 1 388.794 1.458 20 0 GDADMM CCc1ncsc1C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001571294170 946128302 /nfs/dbraw/zinc/12/83/02/946128302.db2.gz CCNHKWFPDWFTDS-UHFFFAOYSA-N -1 1 389.510 1.905 20 0 GDADMM O=C(N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)c1ccc(C(F)F)o1 ZINC001571294235 946129884 /nfs/dbraw/zinc/12/98/84/946129884.db2.gz BQWAAUSCPJDPMQ-VIFPVBQESA-N -1 1 390.354 1.586 20 0 GDADMM O=C(N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)c1ccc(C(F)F)o1 ZINC001571294235 946129891 /nfs/dbraw/zinc/12/98/91/946129891.db2.gz BQWAAUSCPJDPMQ-VIFPVBQESA-N -1 1 390.354 1.586 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCN(c3ccc(Cl)cn3)CC2)n1 ZINC000822610022 946138675 /nfs/dbraw/zinc/13/86/75/946138675.db2.gz ZIGPCRNSLVJKOL-UHFFFAOYSA-N -1 1 388.823 1.003 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCN(c3ccc(Cl)cn3)CC2)n1 ZINC000822610022 946138683 /nfs/dbraw/zinc/13/86/83/946138683.db2.gz ZIGPCRNSLVJKOL-UHFFFAOYSA-N -1 1 388.823 1.003 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC2CC(N(C)C(=O)[C@@H]3Cc4ccccc43)C2)n1 ZINC001571298153 946208509 /nfs/dbraw/zinc/20/85/09/946208509.db2.gz ASZYNNSJQOBGGQ-ZBCRRDGASA-N -1 1 390.451 1.706 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC2CC(N(C)C(=O)[C@@H]3Cc4ccccc43)C2)n1 ZINC001571298153 946208517 /nfs/dbraw/zinc/20/85/17/946208517.db2.gz ASZYNNSJQOBGGQ-ZBCRRDGASA-N -1 1 390.451 1.706 20 0 GDADMM O=C(N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C1(c2ccccc2)CC1 ZINC001571298429 946215741 /nfs/dbraw/zinc/21/57/41/946215741.db2.gz NSWIOBGKCZKTTF-OAHLLOKOSA-N -1 1 390.451 1.213 20 0 GDADMM C[C@@H]1C[C@@H]1C(=O)NCc1cccc2c1CCN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001571298823 946229243 /nfs/dbraw/zinc/22/92/43/946229243.db2.gz KWQQVLDSPJANHD-WBMJQRKESA-N -1 1 390.451 1.492 20 0 GDADMM O=C(Cc1ccccc1)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2 ZINC001571298807 946229770 /nfs/dbraw/zinc/22/97/70/946229770.db2.gz RDZZPIAHNMJDNX-GJZGRUSLSA-N -1 1 390.451 1.161 20 0 GDADMM O=C(N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1)C1(c2ccccc2)CC1 ZINC001571298957 946234480 /nfs/dbraw/zinc/23/44/80/946234480.db2.gz SBXANIBZDXBJHJ-OAHLLOKOSA-N -1 1 390.451 1.791 20 0 GDADMM O=C(N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1)C1(c2ccccc2)CC1 ZINC001571298957 946234493 /nfs/dbraw/zinc/23/44/93/946234493.db2.gz SBXANIBZDXBJHJ-OAHLLOKOSA-N -1 1 390.451 1.791 20 0 GDADMM C[C@H]1CN(C(=O)c2ccsc2Cl)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571299090 946237553 /nfs/dbraw/zinc/23/75/53/946237553.db2.gz IOHPGBSUZXXGIF-GZMMTYOYSA-N -1 1 390.860 1.944 20 0 GDADMM C[C@H]1CN(C(=O)c2ccsc2Cl)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571299090 946237562 /nfs/dbraw/zinc/23/75/62/946237562.db2.gz IOHPGBSUZXXGIF-GZMMTYOYSA-N -1 1 390.860 1.944 20 0 GDADMM CC(C)c1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nnn[n-]3)n2)cc1 ZINC001571299153 946240972 /nfs/dbraw/zinc/24/09/72/946240972.db2.gz OIWBCBGMUYTKMX-HOTGVXAUSA-N -1 1 390.451 1.883 20 0 GDADMM CC(C)c1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nn[n-]n3)n2)cc1 ZINC001571299153 946240983 /nfs/dbraw/zinc/24/09/83/946240983.db2.gz OIWBCBGMUYTKMX-HOTGVXAUSA-N -1 1 390.451 1.883 20 0 GDADMM Cc1nsc(N2CC[C@H](NC(=O)c3cc(F)c[nH]3)C[C@@H]2C)c1-c1nn[n-]n1 ZINC001571299170 946241279 /nfs/dbraw/zinc/24/12/79/946241279.db2.gz ORGGPOHDIAOHFN-KWQFWETISA-N -1 1 390.448 1.886 20 0 GDADMM COCc1csc(C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)c1 ZINC001571299310 946245873 /nfs/dbraw/zinc/24/58/73/946245873.db2.gz WEFJDKHXTAPZQN-UHFFFAOYSA-N -1 1 390.494 1.750 20 0 GDADMM O=C(CN1C(=O)CSc2ccccc21)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822991276 946247573 /nfs/dbraw/zinc/24/75/73/946247573.db2.gz ABVPZNYNPPHWDJ-UHFFFAOYSA-N -1 1 382.405 1.650 20 0 GDADMM C[C@]1(c2ccccc2)C[C@H]1C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571299831 946263396 /nfs/dbraw/zinc/26/33/96/946263396.db2.gz WBKBRDXUIHMYAK-QEEYODRMSA-N -1 1 390.451 1.329 20 0 GDADMM C[C@]1(c2ccccc2)C[C@H]1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571299831 946263408 /nfs/dbraw/zinc/26/34/08/946263408.db2.gz WBKBRDXUIHMYAK-QEEYODRMSA-N -1 1 390.451 1.329 20 0 GDADMM O=C(Cc1cccnc1)N[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571299922 946266956 /nfs/dbraw/zinc/26/69/56/946266956.db2.gz RDWTXJJATMVCOO-SNVBAGLBSA-N -1 1 390.860 1.309 20 0 GDADMM O=C([C@@H]1Cc2ccccc21)N1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571299992 946270340 /nfs/dbraw/zinc/27/03/40/946270340.db2.gz XOZOVFZKTFJWGI-XJKSGUPXSA-N -1 1 390.451 1.647 20 0 GDADMM O=C([C@@H]1Cc2ccccc21)N1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571299992 946270353 /nfs/dbraw/zinc/27/03/53/946270353.db2.gz XOZOVFZKTFJWGI-XJKSGUPXSA-N -1 1 390.451 1.647 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(Cl)s2)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571300167 946274186 /nfs/dbraw/zinc/27/41/86/946274186.db2.gz VWGQFNOZGCAOKY-RKDXNWHRSA-N -1 1 390.860 1.944 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(Cl)s2)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571300167 946274200 /nfs/dbraw/zinc/27/42/00/946274200.db2.gz VWGQFNOZGCAOKY-RKDXNWHRSA-N -1 1 390.860 1.944 20 0 GDADMM O=C(NC[C@H]1CCCN1c1nc(-c2nn[n-]n2)c(Cl)s1)c1ccncc1 ZINC001571300305 946279934 /nfs/dbraw/zinc/27/99/34/946279934.db2.gz ZGEZHRUUBAPDNU-SNVBAGLBSA-N -1 1 390.860 1.770 20 0 GDADMM CC(C)C[C@H](CNC(=O)c1coc(-c2nnn[n-]2)c1)CC(=O)O[C@H]1CCOC1 ZINC001571302122 946291624 /nfs/dbraw/zinc/29/16/24/946291624.db2.gz PBPSDFGCDUVHAV-JSGCOSHPSA-N -1 1 391.428 1.574 20 0 GDADMM CC(C)C[C@H](CNC(=O)c1coc(-c2nn[n-]n2)c1)CC(=O)O[C@H]1CCOC1 ZINC001571302122 946291633 /nfs/dbraw/zinc/29/16/33/946291633.db2.gz PBPSDFGCDUVHAV-JSGCOSHPSA-N -1 1 391.428 1.574 20 0 GDADMM Cc1cncc(C(=O)N2CCC[C@H]3[C@H]2CCN3c2nccnc2-c2nnn[n-]2)c1 ZINC001571302616 946307232 /nfs/dbraw/zinc/30/72/32/946307232.db2.gz CTEZXAZRXCTBLI-LSDHHAIUSA-N -1 1 391.439 1.244 20 0 GDADMM Cc1cncc(C(=O)N2CCC[C@H]3[C@H]2CCN3c2nccnc2-c2nn[n-]n2)c1 ZINC001571302616 946307245 /nfs/dbraw/zinc/30/72/45/946307245.db2.gz CTEZXAZRXCTBLI-LSDHHAIUSA-N -1 1 391.439 1.244 20 0 GDADMM Cc1cncc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(c2ccnc(-c4nn[n-]n4)n2)C3)c1 ZINC001571302680 946310098 /nfs/dbraw/zinc/31/00/98/946310098.db2.gz FQKRCBLIPNXCPU-QEJZJMRPSA-N -1 1 391.439 1.147 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@@H]3[C@H](CCN3c3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571302823 946314415 /nfs/dbraw/zinc/31/44/15/946314415.db2.gz GPPMCKFXPOFJLQ-UKRRQHHQSA-N -1 1 391.439 1.101 20 0 GDADMM CCc1cccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)nn2)n1 ZINC001571303177 946326473 /nfs/dbraw/zinc/32/64/73/946326473.db2.gz JDQMQIMKMUPYKA-OKILXGFUSA-N -1 1 391.439 1.108 20 0 GDADMM CCc1cccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)nn2)n1 ZINC001571303177 946326485 /nfs/dbraw/zinc/32/64/85/946326485.db2.gz JDQMQIMKMUPYKA-OKILXGFUSA-N -1 1 391.439 1.108 20 0 GDADMM O=C(Cn1nc(-c2ccccc2)ccc1=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823136439 946329592 /nfs/dbraw/zinc/32/95/92/946329592.db2.gz ZYXIKTPQCXTOOF-UHFFFAOYSA-N -1 1 389.375 1.435 20 0 GDADMM O=C([C@@H]1CCCc2cccnc21)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571303659 946345684 /nfs/dbraw/zinc/34/56/84/946345684.db2.gz VDXNHSLXBBQIIJ-UONOGXRCSA-N -1 1 391.439 1.185 20 0 GDADMM O=C([C@@H]1CCCc2cccnc21)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571303659 946345699 /nfs/dbraw/zinc/34/56/99/946345699.db2.gz VDXNHSLXBBQIIJ-UONOGXRCSA-N -1 1 391.439 1.185 20 0 GDADMM Cc1cnccc1C(=O)N[C@@]12CCC[C@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001571303837 946349038 /nfs/dbraw/zinc/34/90/38/946349038.db2.gz ZCPPWQWTGXHICN-DNVCBOLYSA-N -1 1 391.439 1.292 20 0 GDADMM Cc1cnccc1C(=O)N[C@@]12CCC[C@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001571303837 946349049 /nfs/dbraw/zinc/34/90/49/946349049.db2.gz ZCPPWQWTGXHICN-DNVCBOLYSA-N -1 1 391.439 1.292 20 0 GDADMM C[C@H]1CN(C(=O)C2(c3cccnc3)CC2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571304144 946360030 /nfs/dbraw/zinc/36/00/30/946360030.db2.gz YWNJDHQESPRWOK-SWLSCSKDSA-N -1 1 391.439 1.042 20 0 GDADMM C[C@H]1CN(C(=O)C2(c3cccnc3)CC2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571304144 946360044 /nfs/dbraw/zinc/36/00/44/946360044.db2.gz YWNJDHQESPRWOK-SWLSCSKDSA-N -1 1 391.439 1.042 20 0 GDADMM Cc1nsc(NC[C@H]2C[C@H](NC(=O)C[C@@H]3CCCOC3)C2)c1-c1nn[n-]n1 ZINC001571305459 946363329 /nfs/dbraw/zinc/36/33/29/946363329.db2.gz BTJHAKQWTGUQNV-AVGNSLFASA-N -1 1 391.501 1.755 20 0 GDADMM O=C(NC[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1)c1cccnn1 ZINC001571305645 946368693 /nfs/dbraw/zinc/36/86/93/946368693.db2.gz IHOSIJMKTIGLFE-QMMMGPOBSA-N -1 1 391.848 1.023 20 0 GDADMM Cc1nsc(N2CC[C@@H](N(C)C(=O)C[C@@H]3CCCCO3)C2)c1-c1nn[n-]n1 ZINC001571306110 946386933 /nfs/dbraw/zinc/38/69/33/946386933.db2.gz POWULRIAKNWMFU-OLZOCXBDSA-N -1 1 391.501 1.628 20 0 GDADMM Cc1nsc(N2CCCC[C@H]2CNC(=O)C2CCOCC2)c1-c1nn[n-]n1 ZINC001571306118 946388827 /nfs/dbraw/zinc/38/88/27/946388827.db2.gz PQQOZUYRJYWBCA-ZDUSSCGKSA-N -1 1 391.501 1.533 20 0 GDADMM O=C(c1cccnn1)N1CCCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC001571306181 946389807 /nfs/dbraw/zinc/38/98/07/946389807.db2.gz QKWIOISZKHIMPP-UHFFFAOYSA-N -1 1 391.848 1.119 20 0 GDADMM O=C(c1cccnn1)N1CCCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC001571306181 946389818 /nfs/dbraw/zinc/38/98/18/946389818.db2.gz QKWIOISZKHIMPP-UHFFFAOYSA-N -1 1 391.848 1.119 20 0 GDADMM O=C(c1sccc1C(F)F)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571307617 946424529 /nfs/dbraw/zinc/42/45/29/946424529.db2.gz GSCBWWNWCISRBG-QMMMGPOBSA-N -1 1 392.395 1.982 20 0 GDADMM O=C(c1sccc1C(F)F)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571307617 946424537 /nfs/dbraw/zinc/42/45/37/946424537.db2.gz GSCBWWNWCISRBG-QMMMGPOBSA-N -1 1 392.395 1.982 20 0 GDADMM CCc1nc(NC2CC(N(C)C(=O)C3CC(F)(F)C3)C2)cc(-c2nnn[n-]2)n1 ZINC001571308104 946431625 /nfs/dbraw/zinc/43/16/25/946431625.db2.gz MSTJUNIRNCFDKF-UHFFFAOYSA-N -1 1 392.414 1.666 20 0 GDADMM CCc1nc(NC2CC(N(C)C(=O)C3CC(F)(F)C3)C2)cc(-c2nn[n-]n2)n1 ZINC001571308104 946431629 /nfs/dbraw/zinc/43/16/29/946431629.db2.gz MSTJUNIRNCFDKF-UHFFFAOYSA-N -1 1 392.414 1.666 20 0 GDADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)C2CCC(F)(F)CC2)C1 ZINC001571308365 946431787 /nfs/dbraw/zinc/43/17/87/946431787.db2.gz PDVDWHASFBYXHZ-GFCCVEGCSA-N -1 1 392.414 1.519 20 0 GDADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)C2CCC(F)(F)CC2)C1 ZINC001571308365 946431792 /nfs/dbraw/zinc/43/17/92/946431792.db2.gz PDVDWHASFBYXHZ-GFCCVEGCSA-N -1 1 392.414 1.519 20 0 GDADMM CN(CCn1cc(Br)cn1)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001571308543 946433214 /nfs/dbraw/zinc/43/32/14/946433214.db2.gz QLASGWRPGNWUHJ-UHFFFAOYSA-N -1 1 392.221 1.385 20 0 GDADMM CN(CCn1cc(Br)cn1)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001571308543 946433222 /nfs/dbraw/zinc/43/32/22/946433222.db2.gz QLASGWRPGNWUHJ-UHFFFAOYSA-N -1 1 392.221 1.385 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC2CCC(N(C)C(=O)[C@@H]3CC3(F)F)CC2)n1 ZINC001571308414 946434212 /nfs/dbraw/zinc/43/42/12/946434212.db2.gz PVKKHYJTINNHSK-MCIGGMRASA-N -1 1 392.414 1.802 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC2CCC(N(C)C(=O)[C@@H]3CC3(F)F)CC2)n1 ZINC001571308414 946434215 /nfs/dbraw/zinc/43/42/15/946434215.db2.gz PVKKHYJTINNHSK-MCIGGMRASA-N -1 1 392.414 1.802 20 0 GDADMM O=C([C@@H]1CCC(F)(F)C1)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571309145 946440356 /nfs/dbraw/zinc/44/03/56/946440356.db2.gz XBJUPAJCVZIETL-NEPJUHHUSA-N -1 1 392.414 1.885 20 0 GDADMM O=C([C@@H]1CCC(F)(F)C1)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571309145 946440361 /nfs/dbraw/zinc/44/03/61/946440361.db2.gz XBJUPAJCVZIETL-NEPJUHHUSA-N -1 1 392.414 1.885 20 0 GDADMM O=C(CC1CC(F)(F)C1)N1CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571309473 946444194 /nfs/dbraw/zinc/44/41/94/946444194.db2.gz BBSNAMCYGPWHRT-LBPRGKRZSA-N -1 1 392.414 1.885 20 0 GDADMM O=C(CC1CC(F)(F)C1)N1CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571309473 946444201 /nfs/dbraw/zinc/44/42/01/946444201.db2.gz BBSNAMCYGPWHRT-LBPRGKRZSA-N -1 1 392.414 1.885 20 0 GDADMM O=C(CC1CC(F)(F)C1)N1CCCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571309477 946444870 /nfs/dbraw/zinc/44/48/70/946444870.db2.gz BDLUUECFYRQKJV-GFCCVEGCSA-N -1 1 392.414 1.885 20 0 GDADMM O=C(CC1CC(F)(F)C1)N1CCCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571309477 946444877 /nfs/dbraw/zinc/44/48/77/946444877.db2.gz BDLUUECFYRQKJV-GFCCVEGCSA-N -1 1 392.414 1.885 20 0 GDADMM O=C(C[C@@H]1CCC(F)(F)C1)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571309764 946452711 /nfs/dbraw/zinc/45/27/11/946452711.db2.gz KCEBVGGGXVIHLJ-RYUDHWBXSA-N -1 1 392.414 1.567 20 0 GDADMM O=C(C[C@@H]1CCC(F)(F)C1)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571309764 946452723 /nfs/dbraw/zinc/45/27/23/946452723.db2.gz KCEBVGGGXVIHLJ-RYUDHWBXSA-N -1 1 392.414 1.567 20 0 GDADMM O=C(C[C@@H]1CCCC1(F)F)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571309802 946453312 /nfs/dbraw/zinc/45/33/12/946453312.db2.gz LHBGGUBGNWDJKY-NWDGAFQWSA-N -1 1 392.414 1.885 20 0 GDADMM O=C(C[C@@H]1CCCC1(F)F)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571309802 946453321 /nfs/dbraw/zinc/45/33/21/946453321.db2.gz LHBGGUBGNWDJKY-NWDGAFQWSA-N -1 1 392.414 1.885 20 0 GDADMM O=C(N1CCC[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1)C1(C(F)F)CC1 ZINC001571309871 946454665 /nfs/dbraw/zinc/45/46/65/946454665.db2.gz NQNKUMWOOBRLNN-LLVKDONJSA-N -1 1 392.414 1.743 20 0 GDADMM O=C(N1CCC[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1)C1(C(F)F)CC1 ZINC001571309871 946454670 /nfs/dbraw/zinc/45/46/70/946454670.db2.gz NQNKUMWOOBRLNN-LLVKDONJSA-N -1 1 392.414 1.743 20 0 GDADMM C[C@@H]1Cc2cc(C(=O)N[C@H]3C[C@H](Nc4ccc(-c5nnn[n-]5)nn4)C3)ccc2O1 ZINC001571309926 946457669 /nfs/dbraw/zinc/45/76/69/946457669.db2.gz PQQKTVWSUHGUPG-LERXQTSPSA-N -1 1 392.423 1.353 20 0 GDADMM C[C@@H]1Cc2cc(C(=O)N[C@H]3C[C@H](Nc4ccc(-c5nn[n-]n5)nn4)C3)ccc2O1 ZINC001571309926 946457688 /nfs/dbraw/zinc/45/76/88/946457688.db2.gz PQQKTVWSUHGUPG-LERXQTSPSA-N -1 1 392.423 1.353 20 0 GDADMM Cc1csc(C(=O)[O-])c1S(=O)(=O)Nc1cc(S(N)(=O)=O)ccc1C ZINC000325680754 971236473 /nfs/dbraw/zinc/23/64/73/971236473.db2.gz AGMYVAWPGFBDCG-UHFFFAOYSA-N -1 1 390.464 1.511 20 0 GDADMM C[C@H]1CCCN(C(=O)Cc2ccccc2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571312773 946500990 /nfs/dbraw/zinc/50/09/90/946500990.db2.gz CUGWMWHNZSTWHD-WMLDXEAASA-N -1 1 392.467 1.938 20 0 GDADMM C[C@H]1CCCN(C(=O)Cc2ccccc2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571312773 946501001 /nfs/dbraw/zinc/50/10/01/946501001.db2.gz CUGWMWHNZSTWHD-WMLDXEAASA-N -1 1 392.467 1.938 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)c1ccccc1 ZINC001571313171 946513570 /nfs/dbraw/zinc/51/35/70/946513570.db2.gz JCFNGSPNFJMUGP-HOCLYGCPSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)c1ccccc1 ZINC001571313171 946513573 /nfs/dbraw/zinc/51/35/73/946513573.db2.gz JCFNGSPNFJMUGP-HOCLYGCPSA-N -1 1 392.467 1.936 20 0 GDADMM Cc1ccccc1CC(=O)N[C@H]1CC[C@@H](C)N(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571317197 946604934 /nfs/dbraw/zinc/60/49/34/946604934.db2.gz XVMJWXRGQMPCOX-ZBFHGGJFSA-N -1 1 392.467 1.681 20 0 GDADMM Cc1ccccc1CC(=O)N[C@H]1CC[C@@H](C)N(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571317197 946604940 /nfs/dbraw/zinc/60/49/40/946604940.db2.gz XVMJWXRGQMPCOX-ZBFHGGJFSA-N -1 1 392.467 1.681 20 0 GDADMM Cc1[nH]ccc1C(=O)N(C)[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571317938 946624517 /nfs/dbraw/zinc/62/45/17/946624517.db2.gz ZIFTUDHXPMYDNB-SECBINFHSA-N -1 1 392.876 1.964 20 0 GDADMM CC(C)COC(=O)CN1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000824266433 946638825 /nfs/dbraw/zinc/63/88/25/946638825.db2.gz LMPZFIZHGDAQIV-UHFFFAOYSA-N -1 1 375.433 1.053 20 0 GDADMM CC(=O)Nc1ccc(F)c(C(=O)N2CCCc3nc(-c4nnn[n-]4)ccc32)c1 ZINC001573546731 946817906 /nfs/dbraw/zinc/81/79/06/946817906.db2.gz OPYRGFYWIFQBDW-UHFFFAOYSA-N -1 1 381.371 1.952 20 0 GDADMM CC(=O)Nc1ccc(F)c(C(=O)N2CCCc3nc(-c4nn[n-]n4)ccc32)c1 ZINC001573546731 946817919 /nfs/dbraw/zinc/81/79/19/946817919.db2.gz OPYRGFYWIFQBDW-UHFFFAOYSA-N -1 1 381.371 1.952 20 0 GDADMM CC(=O)c1ccc2c(c1)CN(S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)C2 ZINC001573555726 946914910 /nfs/dbraw/zinc/91/49/10/946914910.db2.gz OXZXXVNBACLRAQ-UHFFFAOYSA-N -1 1 387.396 1.913 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)NCc2cccc(Cl)c2)c1-c1nn[n-]n1 ZINC000825565490 947225246 /nfs/dbraw/zinc/22/52/46/947225246.db2.gz SUYVMEREBULNCA-UHFFFAOYSA-N -1 1 389.803 1.210 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)Nc2c(C)cccc2CC)c1-c1nn[n-]n1 ZINC000825565027 947225839 /nfs/dbraw/zinc/22/58/39/947225839.db2.gz KHUXUGPMLMEUPT-UHFFFAOYSA-N -1 1 383.412 1.749 20 0 GDADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1cnc(-c2nnn[n-]2)cn1)c1ccco1 ZINC001573592068 947325612 /nfs/dbraw/zinc/32/56/12/947325612.db2.gz IKBMDJZKGDLWDT-GFCCVEGCSA-N -1 1 384.444 1.950 20 0 GDADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1cnc(-c2nn[n-]n2)cn1)c1ccco1 ZINC001573592068 947325621 /nfs/dbraw/zinc/32/56/21/947325621.db2.gz IKBMDJZKGDLWDT-GFCCVEGCSA-N -1 1 384.444 1.950 20 0 GDADMM CN(C)c1ccc(N(Cc2ccc[nH]2)C(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000825879122 947355666 /nfs/dbraw/zinc/35/56/66/947355666.db2.gz HMHOWFMZYHUINP-UHFFFAOYSA-N -1 1 392.427 1.086 20 0 GDADMM C[C@H](C(=O)N(C)C1CC(Nc2nccnc2-c2nnn[n-]2)C1)c1ccsc1 ZINC001573593104 947360710 /nfs/dbraw/zinc/36/07/10/947360710.db2.gz IMTKYSFIRUMUEE-PKSQDBQZSA-N -1 1 384.469 1.923 20 0 GDADMM C[C@H](C(=O)N(C)C1CC(Nc2nccnc2-c2nn[n-]n2)C1)c1ccsc1 ZINC001573593104 947360717 /nfs/dbraw/zinc/36/07/17/947360717.db2.gz IMTKYSFIRUMUEE-PKSQDBQZSA-N -1 1 384.469 1.923 20 0 GDADMM COC(=O)[C@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000826104573 947432991 /nfs/dbraw/zinc/43/29/91/947432991.db2.gz ZIMSCPCSZJNFKW-CQSZACIVSA-N -1 1 390.787 1.390 20 0 GDADMM COC(=O)[C@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000826104573 947432998 /nfs/dbraw/zinc/43/29/98/947432998.db2.gz ZIMSCPCSZJNFKW-CQSZACIVSA-N -1 1 390.787 1.390 20 0 GDADMM CC(C)N(CCN(C)c1ccnc(-c2nn[n-]n2)n1)C(=O)[C@@H](C)c1ccco1 ZINC001573603913 947499064 /nfs/dbraw/zinc/49/90/64/947499064.db2.gz LNWDWEBMBHSKOY-ZDUSSCGKSA-N -1 1 384.444 1.727 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C(C)(C)C1)n1cccc1 ZINC001573613798 947570780 /nfs/dbraw/zinc/57/07/80/947570780.db2.gz JCKJCIQOKJNZBG-CHWSQXEVSA-N -1 1 381.444 1.368 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C(C)(C)C1)n1cccc1 ZINC001573613798 947570783 /nfs/dbraw/zinc/57/07/83/947570783.db2.gz JCKJCIQOKJNZBG-CHWSQXEVSA-N -1 1 381.444 1.368 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1)C(C)(F)F ZINC001573615150 947599180 /nfs/dbraw/zinc/59/91/80/947599180.db2.gz HZJWIZRVWQJVQI-WDEREUQCSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1)C(C)(F)F ZINC001573615150 947599182 /nfs/dbraw/zinc/59/91/82/947599182.db2.gz HZJWIZRVWQJVQI-WDEREUQCSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H](C(=O)N1CCC(N(C)c2cncc(-c3nnn[n-]3)n2)CC1)C(C)(F)F ZINC001573615253 947601978 /nfs/dbraw/zinc/60/19/78/947601978.db2.gz COUWQZQTFJBXNP-JTQLQIEISA-N -1 1 380.403 1.375 20 0 GDADMM C[C@@H](C(=O)N1CCC(N(C)c2cncc(-c3nn[n-]n3)n2)CC1)C(C)(F)F ZINC001573615253 947601986 /nfs/dbraw/zinc/60/19/86/947601986.db2.gz COUWQZQTFJBXNP-JTQLQIEISA-N -1 1 380.403 1.375 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573615285 947604184 /nfs/dbraw/zinc/60/41/84/947604184.db2.gz DAMWKASDQYUUEI-RYUDHWBXSA-N -1 1 384.469 1.559 20 0 GDADMM COc1ccc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)c(C(=O)NC2CC2)c1 ZINC000826209953 947613570 /nfs/dbraw/zinc/61/35/70/947613570.db2.gz XUNQPBBEEOOIGP-UHFFFAOYSA-N -1 1 397.395 1.245 20 0 GDADMM COc1ccc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)c(C(=O)NC2CC2)c1 ZINC000826209953 947613574 /nfs/dbraw/zinc/61/35/74/947613574.db2.gz XUNQPBBEEOOIGP-UHFFFAOYSA-N -1 1 397.395 1.245 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@H](N(C)c3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573351809 947618416 /nfs/dbraw/zinc/61/84/16/947618416.db2.gz RQKXDUDQOOKIPF-HNNXBMFYSA-N -1 1 376.424 1.651 20 0 GDADMM C[C@H](C(=O)N1CCC(CNc2cnc(-c3nnn[n-]3)cn2)CC1)n1cccc1 ZINC001573616945 947631166 /nfs/dbraw/zinc/63/11/66/947631166.db2.gz KATFBXVQKVHVBY-CYBMUJFWSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@H](C(=O)N1CCC(CNc2cnc(-c3nn[n-]n3)cn2)CC1)n1cccc1 ZINC001573616945 947631171 /nfs/dbraw/zinc/63/11/71/947631171.db2.gz KATFBXVQKVHVBY-CYBMUJFWSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)c1cccnc1 ZINC001573617323 947633971 /nfs/dbraw/zinc/63/39/71/947633971.db2.gz OTUHPKFHMBHAFM-OLZOCXBDSA-N -1 1 379.428 1.116 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)c1cccnc1 ZINC001573617323 947633978 /nfs/dbraw/zinc/63/39/78/947633978.db2.gz OTUHPKFHMBHAFM-OLZOCXBDSA-N -1 1 379.428 1.116 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001573355361 947641244 /nfs/dbraw/zinc/64/12/44/947641244.db2.gz OFVNUCUKFMNYQL-OAHLLOKOSA-N -1 1 376.424 1.699 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573355361 947641254 /nfs/dbraw/zinc/64/12/54/947641254.db2.gz OFVNUCUKFMNYQL-OAHLLOKOSA-N -1 1 376.424 1.699 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCC2([C@@H](O)C(C)C)CC2)cc1-c1nn[n-]n1 ZINC000826229596 947671408 /nfs/dbraw/zinc/67/14/08/947671408.db2.gz KHQRGAZDHCIBNN-NSHDSACASA-N -1 1 378.458 1.216 20 0 GDADMM C=Cc1ccc(C(=O)NCCN(C)c2cc(-c3nnn[n-]3)nc(CC)n2)cc1 ZINC001573359157 947678763 /nfs/dbraw/zinc/67/87/63/947678763.db2.gz PMYKLVBNQGBWPD-UHFFFAOYSA-N -1 1 378.440 1.728 20 0 GDADMM C=Cc1ccc(C(=O)NCCN(C)c2cc(-c3nn[n-]n3)nc(CC)n2)cc1 ZINC001573359157 947678765 /nfs/dbraw/zinc/67/87/65/947678765.db2.gz PMYKLVBNQGBWPD-UHFFFAOYSA-N -1 1 378.440 1.728 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1nccnc1-c1nnn[n-]1)n1cccc1 ZINC001573627463 947723698 /nfs/dbraw/zinc/72/36/98/947723698.db2.gz BUAYXHUPZBDXQX-ZIAGYGMSSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1nccnc1-c1nn[n-]n1)n1cccc1 ZINC001573627463 947723707 /nfs/dbraw/zinc/72/37/07/947723707.db2.gz BUAYXHUPZBDXQX-ZIAGYGMSSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@@H]1CN(C)c1cncc(-c2nnn[n-]2)n1)C1CCC1 ZINC001573629159 947773455 /nfs/dbraw/zinc/77/34/55/947773455.db2.gz QTOWRHQWZOLUGM-UKRRQHHQSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@@H]1CN(C)c1cncc(-c2nn[n-]n2)n1)C1CCC1 ZINC001573629159 947773460 /nfs/dbraw/zinc/77/34/60/947773460.db2.gz QTOWRHQWZOLUGM-UKRRQHHQSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@](CO)(Nc2cnc(-c3nnn[n-]3)cn2)C1)C(C)(C)C ZINC001573629650 947782195 /nfs/dbraw/zinc/78/21/95/947782195.db2.gz OVYHVPCJMRDRGN-KZULUSFZSA-N -1 1 388.476 1.104 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@](CO)(Nc2cnc(-c3nn[n-]n3)cn2)C1)C(C)(C)C ZINC001573629650 947782203 /nfs/dbraw/zinc/78/22/03/947782203.db2.gz OVYHVPCJMRDRGN-KZULUSFZSA-N -1 1 388.476 1.104 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]2[C@H]1CCN2c1cnc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001573629748 947783694 /nfs/dbraw/zinc/78/36/94/947783694.db2.gz VAFLQWXKZRKDER-VHDGCEQUSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]2[C@H]1CCN2c1cnc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001573629748 947783700 /nfs/dbraw/zinc/78/37/00/947783700.db2.gz VAFLQWXKZRKDER-VHDGCEQUSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1)n1cccc1 ZINC001573630277 947790294 /nfs/dbraw/zinc/79/02/94/947790294.db2.gz XMHCDIRBKSYICB-ZIAGYGMSSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1)n1cccc1 ZINC001573630277 947790310 /nfs/dbraw/zinc/79/03/10/947790310.db2.gz XMHCDIRBKSYICB-ZIAGYGMSSA-N -1 1 381.444 1.147 20 0 GDADMM CC(=O)CCCC(=O)N1CCC(CCNc2nccnc2-c2nnn[n-]2)CC1 ZINC001573373460 947794237 /nfs/dbraw/zinc/79/42/37/947794237.db2.gz JBDQBYKCRFPRMF-UHFFFAOYSA-N -1 1 386.460 1.457 20 0 GDADMM CC(=O)CCCC(=O)N1CCC(CCNc2nccnc2-c2nn[n-]n2)CC1 ZINC001573373460 947794249 /nfs/dbraw/zinc/79/42/49/947794249.db2.gz JBDQBYKCRFPRMF-UHFFFAOYSA-N -1 1 386.460 1.457 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001573630821 947796946 /nfs/dbraw/zinc/79/69/46/947796946.db2.gz SOZILHOLLVMLES-ZJUUUORDSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001573630821 947796954 /nfs/dbraw/zinc/79/69/54/947796954.db2.gz SOZILHOLLVMLES-ZJUUUORDSA-N -1 1 384.366 1.506 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573373855 947800478 /nfs/dbraw/zinc/80/04/78/947800478.db2.gz GNIKZFPSRJQIAZ-KBPBESRZSA-N -1 1 386.460 1.503 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573373855 947800486 /nfs/dbraw/zinc/80/04/86/947800486.db2.gz GNIKZFPSRJQIAZ-KBPBESRZSA-N -1 1 386.460 1.503 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573375160 947816689 /nfs/dbraw/zinc/81/66/89/947816689.db2.gz RJRSKDVXJNKZJA-SECBINFHSA-N -1 1 383.865 1.749 20 0 GDADMM C[C@@H](C(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)c1cccs1 ZINC001573637589 947817301 /nfs/dbraw/zinc/81/73/01/947817301.db2.gz JSXPYRXCTGEEQS-GFCCVEGCSA-N -1 1 384.469 1.561 20 0 GDADMM C[C@@H](C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)c1ccsc1 ZINC001573637699 947822498 /nfs/dbraw/zinc/82/24/98/947822498.db2.gz NPZORRUHTIXFOC-GFCCVEGCSA-N -1 1 384.469 1.561 20 0 GDADMM C[C@@H](C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)c1ccsc1 ZINC001573637699 947822508 /nfs/dbraw/zinc/82/25/08/947822508.db2.gz NPZORRUHTIXFOC-GFCCVEGCSA-N -1 1 384.469 1.561 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001573376318 947834171 /nfs/dbraw/zinc/83/41/71/947834171.db2.gz YMHQRIPIUAMWNT-CQSZACIVSA-N -1 1 386.460 1.457 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001573376318 947834182 /nfs/dbraw/zinc/83/41/82/947834182.db2.gz YMHQRIPIUAMWNT-CQSZACIVSA-N -1 1 386.460 1.457 20 0 GDADMM Cc1onc(CC(=O)Nc2cc(CN3CCOCC3)ccc2C)c1-c1nn[n-]n1 ZINC000826287808 947834272 /nfs/dbraw/zinc/83/42/72/947834272.db2.gz FAVWWDFAPBJABN-UHFFFAOYSA-N -1 1 397.439 1.485 20 0 GDADMM C[C@H](C(=O)N1CCO[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)C1CCCC1 ZINC001573641635 947855949 /nfs/dbraw/zinc/85/59/49/947855949.db2.gz MKQUZSOCKKMBOH-JSGCOSHPSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H](C(=O)N1CCO[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573641635 947855960 /nfs/dbraw/zinc/85/59/60/947855960.db2.gz MKQUZSOCKKMBOH-JSGCOSHPSA-N -1 1 386.460 1.122 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C ZINC001573380495 947859550 /nfs/dbraw/zinc/85/95/50/947859550.db2.gz CWKXTRGFWOIEFQ-CQSZACIVSA-N -1 1 386.460 1.137 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C ZINC001573380495 947859556 /nfs/dbraw/zinc/85/95/56/947859556.db2.gz CWKXTRGFWOIEFQ-CQSZACIVSA-N -1 1 386.460 1.137 20 0 GDADMM C[C@@H](C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)c1cccc(F)c1 ZINC001573643526 947865198 /nfs/dbraw/zinc/86/51/98/947865198.db2.gz URVMMGHWIKKMQY-GFCCVEGCSA-N -1 1 382.403 1.248 20 0 GDADMM C[C@@H](C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)c1cccc(F)c1 ZINC001573643526 947865202 /nfs/dbraw/zinc/86/52/02/947865202.db2.gz URVMMGHWIKKMQY-GFCCVEGCSA-N -1 1 382.403 1.248 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CN(c2snc(C)c2-c2nn[n-]n2)CC1(C)C ZINC001573381016 947868759 /nfs/dbraw/zinc/86/87/59/947868759.db2.gz NBBQNXVUIPHCAY-GFCCVEGCSA-N -1 1 391.501 1.722 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)c1ccco1 ZINC001573645966 947871621 /nfs/dbraw/zinc/87/16/21/947871621.db2.gz FFGGZBNPYPFAIA-MBNYWOFBSA-N -1 1 380.412 1.091 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)c1ccco1 ZINC001573645966 947871627 /nfs/dbraw/zinc/87/16/27/947871627.db2.gz FFGGZBNPYPFAIA-MBNYWOFBSA-N -1 1 380.412 1.091 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](C)[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001573647093 947884832 /nfs/dbraw/zinc/88/48/32/947884832.db2.gz BZBYMIDFJGVTIL-HZSPNIEDSA-N -1 1 396.455 1.950 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](C)[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001573647093 947884842 /nfs/dbraw/zinc/88/48/42/947884842.db2.gz BZBYMIDFJGVTIL-HZSPNIEDSA-N -1 1 396.455 1.950 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](CNc2nccnc2-c2nnn[n-]2)[C@H](C)C1)C(F)(F)F ZINC001573647727 947901725 /nfs/dbraw/zinc/90/17/25/947901725.db2.gz SLHVAYNORBGDCN-OPRDCNLKSA-N -1 1 384.366 1.362 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](CNc2nccnc2-c2nn[n-]n2)[C@H](C)C1)C(F)(F)F ZINC001573647727 947901732 /nfs/dbraw/zinc/90/17/32/947901732.db2.gz SLHVAYNORBGDCN-OPRDCNLKSA-N -1 1 384.366 1.362 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1)C(C)(C)C ZINC001573651278 947918907 /nfs/dbraw/zinc/91/89/07/947918907.db2.gz KWSHIJVUZDTCQD-MJBXVCDLSA-N -1 1 384.488 1.624 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1)C(C)(C)C ZINC001573651278 947918913 /nfs/dbraw/zinc/91/89/13/947918913.db2.gz KWSHIJVUZDTCQD-MJBXVCDLSA-N -1 1 384.488 1.624 20 0 GDADMM C[C@@H](C(=O)N1C[C@@]2(C)CN(c3cnc(-c4nnn[n-]4)cn3)C[C@@]2(C)C1)C1CC1 ZINC001573651723 947922689 /nfs/dbraw/zinc/92/26/89/947922689.db2.gz PXTIVAIEFAHUTN-DPMMWBKBSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H](C(=O)N1C[C@@]2(C)CN(c3cnc(-c4nn[n-]n4)cn3)C[C@@]2(C)C1)C1CC1 ZINC001573651723 947922695 /nfs/dbraw/zinc/92/26/95/947922695.db2.gz PXTIVAIEFAHUTN-DPMMWBKBSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)c1ccsc1 ZINC001573652458 947938550 /nfs/dbraw/zinc/93/85/50/947938550.db2.gz CIDRPUWJPVVHHX-MFKMUULPSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)c1ccsc1 ZINC001573652458 947938555 /nfs/dbraw/zinc/93/85/55/947938555.db2.gz CIDRPUWJPVVHHX-MFKMUULPSA-N -1 1 384.469 1.829 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@H]1CCCOCC1 ZINC000826328676 947957111 /nfs/dbraw/zinc/95/71/11/947957111.db2.gz ZAVIWXXDHWTGCX-ZDUSSCGKSA-N -1 1 384.444 1.144 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@H]1CCCOCC1 ZINC000826328676 947957118 /nfs/dbraw/zinc/95/71/18/947957118.db2.gz ZAVIWXXDHWTGCX-ZDUSSCGKSA-N -1 1 384.444 1.144 20 0 GDADMM Cc1oc(NC(=O)[C@H](C)N(C)Cc2ncc(Cl)n2C)c(-c2nn[n-]n2)c1C ZINC000826341409 947979263 /nfs/dbraw/zinc/97/92/63/947979263.db2.gz HBFPTZBSYQIKFL-VIFPVBQESA-N -1 1 392.851 1.922 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C(C)(C)C)n1cccc1 ZINC001573655786 947981245 /nfs/dbraw/zinc/98/12/45/947981245.db2.gz YUZWEEMBWKBKEN-JSGCOSHPSA-N -1 1 383.460 1.662 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C(C)(C)C)n1cccc1 ZINC001573655786 947981251 /nfs/dbraw/zinc/98/12/51/947981251.db2.gz YUZWEEMBWKBKEN-JSGCOSHPSA-N -1 1 383.460 1.662 20 0 GDADMM Cc1oc(NC(=O)CN(C)Cc2ncc(Cl)n2C)c(-c2nn[n-]n2)c1C ZINC000826341903 947982687 /nfs/dbraw/zinc/98/26/87/947982687.db2.gz SQEWAKCYKHWYQA-UHFFFAOYSA-N -1 1 378.824 1.534 20 0 GDADMM Cc1onc(CC(=O)N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1-c1nnn[n-]1 ZINC000826344191 948002883 /nfs/dbraw/zinc/00/28/83/948002883.db2.gz ZSAKMOCAFIXJFL-NSHDSACASA-N -1 1 391.432 1.173 20 0 GDADMM Cc1onc(CC(=O)N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1-c1nn[n-]n1 ZINC000826344191 948002894 /nfs/dbraw/zinc/00/28/94/948002894.db2.gz ZSAKMOCAFIXJFL-NSHDSACASA-N -1 1 391.432 1.173 20 0 GDADMM C[C@H](C(=O)NC1(C)CCN(c2cncc(-c3nnn[n-]3)n2)CC1)c1ccco1 ZINC001573658262 948006843 /nfs/dbraw/zinc/00/68/43/948006843.db2.gz RNPLOROLTGXKHI-LBPRGKRZSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](C(=O)NC1(C)CCN(c2cncc(-c3nn[n-]n3)n2)CC1)c1ccco1 ZINC001573658262 948006846 /nfs/dbraw/zinc/00/68/46/948006846.db2.gz RNPLOROLTGXKHI-LBPRGKRZSA-N -1 1 382.428 1.529 20 0 GDADMM Cc1onc(CC(=O)N2CCN([C@H](C)c3cccc(F)c3)CC2)c1-c1nn[n-]n1 ZINC000826344498 948008658 /nfs/dbraw/zinc/00/86/58/948008658.db2.gz JWHRXCXWKWOMFA-GFCCVEGCSA-N -1 1 399.430 1.750 20 0 GDADMM Cc1onc(CC(=O)N2CCN(Cc3cccc(F)c3)CC2)c1-c1nnn[n-]1 ZINC000826344536 948009144 /nfs/dbraw/zinc/00/91/44/948009144.db2.gz KOAUWYXBDHXIEA-UHFFFAOYSA-N -1 1 385.403 1.189 20 0 GDADMM Cc1onc(CC(=O)N2CCN(Cc3cccc(F)c3)CC2)c1-c1nn[n-]n1 ZINC000826344536 948009148 /nfs/dbraw/zinc/00/91/48/948009148.db2.gz KOAUWYXBDHXIEA-UHFFFAOYSA-N -1 1 385.403 1.189 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@H]2C(=O)OCc2ccccc2)c1-c1nnn[n-]1 ZINC000826344708 948012195 /nfs/dbraw/zinc/01/21/95/948012195.db2.gz PWZGYOGAJORYEQ-HNNXBMFYSA-N -1 1 396.407 1.440 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@H]2C(=O)OCc2ccccc2)c1-c1nn[n-]n1 ZINC000826344708 948012204 /nfs/dbraw/zinc/01/22/04/948012204.db2.gz PWZGYOGAJORYEQ-HNNXBMFYSA-N -1 1 396.407 1.440 20 0 GDADMM C[C@H](C(=O)N[C@]12CCC[C@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2)C1CCC1 ZINC001573661759 948021245 /nfs/dbraw/zinc/02/12/45/948021245.db2.gz AFZLZFTXLSYKHR-CFZJUORYSA-N -1 1 382.472 1.711 20 0 GDADMM CC(C(=O)N[C@]12CCC[C@@H]1N(c1nccnc1-c1nnn[n-]1)CC2)=C1CCC1 ZINC001573662732 948027497 /nfs/dbraw/zinc/02/74/97/948027497.db2.gz FIHGAHCSUQTMHB-LIRRHRJNSA-N -1 1 380.456 1.775 20 0 GDADMM CC(C(=O)N[C@]12CCC[C@@H]1N(c1nccnc1-c1nn[n-]n1)CC2)=C1CCC1 ZINC001573662732 948027508 /nfs/dbraw/zinc/02/75/08/948027508.db2.gz FIHGAHCSUQTMHB-LIRRHRJNSA-N -1 1 380.456 1.775 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2)C1CCC1 ZINC001573662770 948028473 /nfs/dbraw/zinc/02/84/73/948028473.db2.gz FVDUYWMDYKTYLH-SWLSCSKDSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2)C1CCC1 ZINC001573662770 948028480 /nfs/dbraw/zinc/02/84/80/948028480.db2.gz FVDUYWMDYKTYLH-SWLSCSKDSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](C(=O)NC1(CNc2nccnc2-c2nnn[n-]2)CCCC1)C(C)(F)F ZINC001573663218 948033787 /nfs/dbraw/zinc/03/37/87/948033787.db2.gz KLYUFVWOQPJJMV-JTQLQIEISA-N -1 1 380.403 1.789 20 0 GDADMM C[C@@H](C(=O)NC1(CNc2nccnc2-c2nn[n-]n2)CCCC1)C(C)(F)F ZINC001573663218 948033796 /nfs/dbraw/zinc/03/37/96/948033796.db2.gz KLYUFVWOQPJJMV-JTQLQIEISA-N -1 1 380.403 1.789 20 0 GDADMM C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001573665758 948077388 /nfs/dbraw/zinc/07/73/88/948077388.db2.gz MUYIJLIPBGYUNR-YEJSDXFRSA-N -1 1 392.414 1.564 20 0 GDADMM C[C@H](C(=O)NC1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1)n1cccc1 ZINC001573666179 948082338 /nfs/dbraw/zinc/08/23/38/948082338.db2.gz QARKYHQBGYHLGA-IYXRBSQSSA-N -1 1 381.444 1.559 20 0 GDADMM C[C@H](C(=O)NC1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1)n1cccc1 ZINC001573666179 948082349 /nfs/dbraw/zinc/08/23/49/948082349.db2.gz QARKYHQBGYHLGA-IYXRBSQSSA-N -1 1 381.444 1.559 20 0 GDADMM Cc1onc(CC(=O)Nc2ccccc2C(=O)N2CCCCC2)c1-c1nnn[n-]1 ZINC000826349032 948088578 /nfs/dbraw/zinc/08/85/78/948088578.db2.gz QITZUVKWZHNMDK-UHFFFAOYSA-N -1 1 395.423 1.970 20 0 GDADMM Cc1onc(CC(=O)Nc2ccccc2C(=O)N2CCCCC2)c1-c1nn[n-]n1 ZINC000826349032 948088586 /nfs/dbraw/zinc/08/85/86/948088586.db2.gz QITZUVKWZHNMDK-UHFFFAOYSA-N -1 1 395.423 1.970 20 0 GDADMM CC(=O)N(Cc1ccccc1)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573414503 948095596 /nfs/dbraw/zinc/09/55/96/948095596.db2.gz KJWMNCXBNFJSSG-MRXNPFEDSA-N -1 1 378.440 1.674 20 0 GDADMM CC(=O)N(Cc1ccccc1)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573414503 948095609 /nfs/dbraw/zinc/09/56/09/948095609.db2.gz KJWMNCXBNFJSSG-MRXNPFEDSA-N -1 1 378.440 1.674 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C)C(C)(F)F ZINC001573677309 948134271 /nfs/dbraw/zinc/13/42/71/948134271.db2.gz CFCKIOYIEJEZAA-ONGXEEELSA-N -1 1 380.403 1.279 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C)C(C)(F)F ZINC001573677309 948134278 /nfs/dbraw/zinc/13/42/78/948134278.db2.gz CFCKIOYIEJEZAA-ONGXEEELSA-N -1 1 380.403 1.279 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)CC(C)(C)C1)C1CC1 ZINC001573677254 948134572 /nfs/dbraw/zinc/13/45/72/948134572.db2.gz WZHUOUWKOKOASL-TZMCWYRMSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)CC(C)(C)C1)C1CC1 ZINC001573677254 948134575 /nfs/dbraw/zinc/13/45/75/948134575.db2.gz WZHUOUWKOKOASL-TZMCWYRMSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C)C1CCCC1 ZINC001573678366 948149539 /nfs/dbraw/zinc/14/95/39/948149539.db2.gz HFMQIEOTBVQTAJ-SWLSCSKDSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C)C1CCCC1 ZINC001573678366 948149544 /nfs/dbraw/zinc/14/95/44/948149544.db2.gz HFMQIEOTBVQTAJ-SWLSCSKDSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)NC[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1)c1cccnc1 ZINC001573681191 948197692 /nfs/dbraw/zinc/19/76/92/948197692.db2.gz SOLYTKJWEHHIFR-RISCZKNCSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@@H](C(=O)NC[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1)c1cccnc1 ZINC001573681191 948197695 /nfs/dbraw/zinc/19/76/95/948197695.db2.gz SOLYTKJWEHHIFR-RISCZKNCSA-N -1 1 379.428 1.162 20 0 GDADMM CC(=O)N1CCC([C@H]2C[C@@H](Nc3snc(C)c3-c3nn[n-]n3)CCO2)CC1 ZINC001573434987 948223903 /nfs/dbraw/zinc/22/39/03/948223903.db2.gz UMCSZXKBPVBUCW-UONOGXRCSA-N -1 1 391.501 1.850 20 0 GDADMM C[C@H](C(=O)NC[C@H](O)CNc1snc(Cl)c1-c1nnn[n-]1)C1CCC1 ZINC001573690842 948232086 /nfs/dbraw/zinc/23/20/86/948232086.db2.gz FTRWFUSIYFBBST-CBAPKCEASA-N -1 1 385.881 1.302 20 0 GDADMM C[C@H](C(=O)NC[C@H](O)CNc1snc(Cl)c1-c1nn[n-]n1)C1CCC1 ZINC001573690842 948232096 /nfs/dbraw/zinc/23/20/96/948232096.db2.gz FTRWFUSIYFBBST-CBAPKCEASA-N -1 1 385.881 1.302 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCC1)c1ccsc1 ZINC001573691324 948238830 /nfs/dbraw/zinc/23/88/30/948238830.db2.gz FAOKKVXGMRZWTD-LLVKDONJSA-N -1 1 384.469 1.973 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCC1)c1ccsc1 ZINC001573691324 948238840 /nfs/dbraw/zinc/23/88/40/948238840.db2.gz FAOKKVXGMRZWTD-LLVKDONJSA-N -1 1 384.469 1.973 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCCC1)C(C)(F)F ZINC001573693033 948277097 /nfs/dbraw/zinc/27/70/97/948277097.db2.gz URPGOVUNVHMUNH-JTQLQIEISA-N -1 1 380.403 1.789 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCCC1)C(C)(F)F ZINC001573693033 948277107 /nfs/dbraw/zinc/27/71/07/948277107.db2.gz URPGOVUNVHMUNH-JTQLQIEISA-N -1 1 380.403 1.789 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCCC1)[C@@H]1CCCO1 ZINC001573693277 948281390 /nfs/dbraw/zinc/28/13/90/948281390.db2.gz VYTUUHGOPMEWJS-OCCSQVGLSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCCC1)[C@@H]1CCCO1 ZINC001573693277 948281399 /nfs/dbraw/zinc/28/13/99/948281399.db2.gz VYTUUHGOPMEWJS-OCCSQVGLSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1)C(C)(C)C ZINC001573696562 948328153 /nfs/dbraw/zinc/32/81/53/948328153.db2.gz SBXKPSFPFDVHRE-LLVKDONJSA-N -1 1 378.502 1.273 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)c1cccs1 ZINC001573702574 948346779 /nfs/dbraw/zinc/34/67/79/948346779.db2.gz FQIPLSADDZJMGN-RYUDHWBXSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)c1cccs1 ZINC001573702574 948346782 /nfs/dbraw/zinc/34/67/82/948346782.db2.gz FQIPLSADDZJMGN-RYUDHWBXSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573703194 948353933 /nfs/dbraw/zinc/35/39/33/948353933.db2.gz IVJLJXCAPPIOMP-UONOGXRCSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCC(C)(C)CN1c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573704172 948366075 /nfs/dbraw/zinc/36/60/75/948366075.db2.gz PYYUUCMMFCFEBH-OCCSQVGLSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCC(C)(C)CN1c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573704172 948366081 /nfs/dbraw/zinc/36/60/81/948366081.db2.gz PYYUUCMMFCFEBH-OCCSQVGLSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CCCC1 ZINC001573704398 948372635 /nfs/dbraw/zinc/37/26/35/948372635.db2.gz RRRUCDPVUUHUQC-KBPBESRZSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CCCC1 ZINC001573704398 948372642 /nfs/dbraw/zinc/37/26/42/948372642.db2.gz RRRUCDPVUUHUQC-KBPBESRZSA-N -1 1 384.488 1.816 20 0 GDADMM O=S(=O)(NCCCCCCO)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826490740 948404897 /nfs/dbraw/zinc/40/48/97/948404897.db2.gz GEUGUFCNZZVTTL-UHFFFAOYSA-N -1 1 393.391 1.717 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC(n2ccnc2)CC1 ZINC000826496402 948410089 /nfs/dbraw/zinc/41/00/89/948410089.db2.gz VCQYEFMXUMBYCS-UHFFFAOYSA-N -1 1 377.405 1.228 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC(n2ccnc2)CC1 ZINC000826496402 948410094 /nfs/dbraw/zinc/41/00/94/948410094.db2.gz VCQYEFMXUMBYCS-UHFFFAOYSA-N -1 1 377.405 1.228 20 0 GDADMM C[C@@H](C(=O)NCC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573714982 948479681 /nfs/dbraw/zinc/47/96/81/948479681.db2.gz MLDXWGZBXSRVQZ-KGLIPLIRSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1)c1ccc(Cl)s1 ZINC001573715078 948482175 /nfs/dbraw/zinc/48/21/75/948482175.db2.gz OERAESVBUNOIEK-SECBINFHSA-N -1 1 392.876 1.728 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1)c1ccc(Cl)s1 ZINC001573715078 948482177 /nfs/dbraw/zinc/48/21/77/948482177.db2.gz OERAESVBUNOIEK-SECBINFHSA-N -1 1 392.876 1.728 20 0 GDADMM C[C@H](C(=O)NCC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001573715211 948486179 /nfs/dbraw/zinc/48/61/79/948486179.db2.gz RAZROHNLGLXHHW-QWHCGFSZSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@H](C(=O)NCC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001573715211 948486182 /nfs/dbraw/zinc/48/61/82/948486182.db2.gz RAZROHNLGLXHHW-QWHCGFSZSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@@H](C(=O)NCC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C)C1CCC1 ZINC001573715949 948495588 /nfs/dbraw/zinc/49/55/88/948495588.db2.gz BICYATXZCUXRCI-UMVBOHGHSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@@H](C(=O)NCC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C)C1CCC1 ZINC001573715949 948495597 /nfs/dbraw/zinc/49/55/97/948495597.db2.gz BICYATXZCUXRCI-UMVBOHGHSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1snc(Cl)c1-c1nnn[n-]1)[C@@H]1CCCO1 ZINC001573718088 948513849 /nfs/dbraw/zinc/51/38/49/948513849.db2.gz HQFCFMDYPDBTOW-IUCAKERBSA-N -1 1 385.881 1.344 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1snc(Cl)c1-c1nn[n-]n1)[C@@H]1CCCO1 ZINC001573718088 948513852 /nfs/dbraw/zinc/51/38/52/948513852.db2.gz HQFCFMDYPDBTOW-IUCAKERBSA-N -1 1 385.881 1.344 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1cncc(-c2nnn[n-]2)n1)c1c(F)cccc1F ZINC001573720619 948534193 /nfs/dbraw/zinc/53/41/93/948534193.db2.gz QWHMEYMGXDXCRG-JTQLQIEISA-N -1 1 388.382 1.291 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1cncc(-c2nn[n-]n2)n1)c1c(F)cccc1F ZINC001573720619 948534200 /nfs/dbraw/zinc/53/42/00/948534200.db2.gz QWHMEYMGXDXCRG-JTQLQIEISA-N -1 1 388.382 1.291 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1nc(Cl)c(-c2nnn[n-]2)s1)[C@@H]1CCCO1 ZINC001573721011 948535895 /nfs/dbraw/zinc/53/58/95/948535895.db2.gz UQQVTCYZAKQGHP-IUCAKERBSA-N -1 1 385.881 1.344 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1nc(Cl)c(-c2nn[n-]n2)s1)[C@@H]1CCCO1 ZINC001573721011 948535902 /nfs/dbraw/zinc/53/59/02/948535902.db2.gz UQQVTCYZAKQGHP-IUCAKERBSA-N -1 1 385.881 1.344 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)[C@H](C)C(C)(C)C ZINC001573727544 948555645 /nfs/dbraw/zinc/55/56/45/948555645.db2.gz ADHROTUDKBCXLT-XJFOESAGSA-N -1 1 386.504 1.704 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C)C1CCCC1 ZINC001573729950 948573531 /nfs/dbraw/zinc/57/35/31/948573531.db2.gz XCYLWLNZRNVRNE-VNHYZAJKSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C)C1CCCC1 ZINC001573729950 948573538 /nfs/dbraw/zinc/57/35/38/948573538.db2.gz XCYLWLNZRNVRNE-VNHYZAJKSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@@H](C(=O)N[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1)c1ccc(F)c(F)c1 ZINC001573732638 948605612 /nfs/dbraw/zinc/60/56/12/948605612.db2.gz TXUFEFHZYHOORC-VHSXEESVSA-N -1 1 388.382 1.077 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573739540 948620985 /nfs/dbraw/zinc/62/09/85/948620985.db2.gz DYMWTABYRKFFHJ-MEWXFMAXSA-N -1 1 382.472 1.709 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573739540 948620988 /nfs/dbraw/zinc/62/09/88/948620988.db2.gz DYMWTABYRKFFHJ-MEWXFMAXSA-N -1 1 382.472 1.709 20 0 GDADMM C[C@@H](NC(=O)[C@H](C)C1CCC1)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573739565 948621082 /nfs/dbraw/zinc/62/10/82/948621082.db2.gz FRAUHLGUCMMLSI-CHWSQXEVSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](NC(=O)[C@H](C)C1CCC1)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573739965 948626621 /nfs/dbraw/zinc/62/66/21/948626621.db2.gz JAWPMXOZAAMFGM-CHWSQXEVSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](NC(=O)[C@H](C)C1CCC1)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573739965 948626629 /nfs/dbraw/zinc/62/66/29/948626629.db2.gz JAWPMXOZAAMFGM-CHWSQXEVSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C)c1ccsc1 ZINC001573745197 948671410 /nfs/dbraw/zinc/67/14/10/948671410.db2.gz CIKMXLFKHIUJIS-LOWVWBTDSA-N -1 1 384.469 1.605 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C)c1ccsc1 ZINC001573745197 948671414 /nfs/dbraw/zinc/67/14/14/948671414.db2.gz CIKMXLFKHIUJIS-LOWVWBTDSA-N -1 1 384.469 1.605 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CC1)[C@H]1CCCO1 ZINC001573746899 948688275 /nfs/dbraw/zinc/68/82/75/948688275.db2.gz QLPCUPQAOQRLKK-RGCMKSIDSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CC1)[C@H]1CCCO1 ZINC001573746899 948688278 /nfs/dbraw/zinc/68/82/78/948688278.db2.gz QLPCUPQAOQRLKK-RGCMKSIDSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CC1)C(F)(F)F ZINC001573746941 948688387 /nfs/dbraw/zinc/68/83/87/948688387.db2.gz RRJTXMFQZNTKDP-GUBZILKMSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CC1)C(F)(F)F ZINC001573746941 948688391 /nfs/dbraw/zinc/68/83/91/948688391.db2.gz RRJTXMFQZNTKDP-GUBZILKMSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1)c1cccnc1 ZINC001573751859 948706465 /nfs/dbraw/zinc/70/64/65/948706465.db2.gz FZLBMSPTKKSKTJ-ATGSNQNLSA-N -1 1 391.439 1.081 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1)c1cccnc1 ZINC001573751859 948706469 /nfs/dbraw/zinc/70/64/69/948706469.db2.gz FZLBMSPTKKSKTJ-ATGSNQNLSA-N -1 1 391.439 1.081 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1)c1ccco1 ZINC001573753659 948721294 /nfs/dbraw/zinc/72/12/94/948721294.db2.gz WRLXFRDDQMKTOH-NDBYEHHHSA-N -1 1 380.412 1.279 20 0 GDADMM CC(C)c1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nnn[n-]3)n2)cn1 ZINC001574416018 948745217 /nfs/dbraw/zinc/74/52/17/948745217.db2.gz NWDWALYLLGGGMR-KBPBESRZSA-N -1 1 391.439 1.278 20 0 GDADMM CC(C)c1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nn[n-]n3)n2)cn1 ZINC001574416018 948745225 /nfs/dbraw/zinc/74/52/25/948745225.db2.gz NWDWALYLLGGGMR-KBPBESRZSA-N -1 1 391.439 1.278 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccc2c(c1)COC2 ZINC001574678620 948753209 /nfs/dbraw/zinc/75/32/09/948753209.db2.gz HPSNFHKCEJQAIR-NSHDSACASA-N -1 1 380.412 1.307 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccc2c(c1)COC2 ZINC001574678620 948753226 /nfs/dbraw/zinc/75/32/26/948753226.db2.gz HPSNFHKCEJQAIR-NSHDSACASA-N -1 1 380.412 1.307 20 0 GDADMM CC(F)(F)C1(C(=O)N2CC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001575222226 948755879 /nfs/dbraw/zinc/75/58/79/948755879.db2.gz HBKGXQHMVZSZNF-JTQLQIEISA-N -1 1 378.387 1.353 20 0 GDADMM CC(F)(F)C1(C(=O)N2CC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001575222226 948755893 /nfs/dbraw/zinc/75/58/93/948755893.db2.gz HBKGXQHMVZSZNF-JTQLQIEISA-N -1 1 378.387 1.353 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)C1(c2ccccn2)CC1 ZINC001574678662 948756890 /nfs/dbraw/zinc/75/68/90/948756890.db2.gz HWSOEYKHQKJBOX-LBPRGKRZSA-N -1 1 379.428 1.090 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)C1(c2ccccn2)CC1 ZINC001574678662 948756902 /nfs/dbraw/zinc/75/69/02/948756902.db2.gz HWSOEYKHQKJBOX-LBPRGKRZSA-N -1 1 379.428 1.090 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H](CNc2nccnc2-c2nnn[n-]2)C2CC2)CC1 ZINC001575222745 948757229 /nfs/dbraw/zinc/75/72/29/948757229.db2.gz IPDVLGNMGVJWMA-JTQLQIEISA-N -1 1 378.387 1.399 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H](CNc2nccnc2-c2nn[n-]n2)C2CC2)CC1 ZINC001575222745 948757248 /nfs/dbraw/zinc/75/72/48/948757248.db2.gz IPDVLGNMGVJWMA-JTQLQIEISA-N -1 1 378.387 1.399 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cnc(C2CC2)s1 ZINC001574678956 948764309 /nfs/dbraw/zinc/76/43/09/948764309.db2.gz LBZFGICTNYJLMH-VIFPVBQESA-N -1 1 385.457 1.611 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cnc(C2CC2)s1 ZINC001574678956 948764321 /nfs/dbraw/zinc/76/43/21/948764321.db2.gz LBZFGICTNYJLMH-VIFPVBQESA-N -1 1 385.457 1.611 20 0 GDADMM CC(F)(F)CC(=O)N1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001575223501 948767255 /nfs/dbraw/zinc/76/72/55/948767255.db2.gz CAPAJBRXGMMAHB-UHFFFAOYSA-N -1 1 377.808 1.671 20 0 GDADMM CC(F)(F)CC(=O)N1CCCCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001575223891 948771604 /nfs/dbraw/zinc/77/16/04/948771604.db2.gz IDLAOXNUNLBUDW-LLVKDONJSA-N -1 1 380.403 1.885 20 0 GDADMM CC(F)(F)CC(=O)N1CCCCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001575223891 948771619 /nfs/dbraw/zinc/77/16/19/948771619.db2.gz IDLAOXNUNLBUDW-LLVKDONJSA-N -1 1 380.403 1.885 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H](C)c1ccccc1F ZINC001574679617 948788640 /nfs/dbraw/zinc/78/86/40/948788640.db2.gz YTIFRKLUOGNONO-VXGBXAGGSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)c1ccccc1F ZINC001574679617 948788645 /nfs/dbraw/zinc/78/86/45/948788645.db2.gz YTIFRKLUOGNONO-VXGBXAGGSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1[nH]cnc1C(C)(C)C ZINC001574679878 948793841 /nfs/dbraw/zinc/79/38/41/948793841.db2.gz ALKVSFDUHOXCPR-JTQLQIEISA-N -1 1 384.448 1.298 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1[nH]cnc1C(C)(C)C ZINC001574679878 948793852 /nfs/dbraw/zinc/79/38/52/948793852.db2.gz ALKVSFDUHOXCPR-JTQLQIEISA-N -1 1 384.448 1.298 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCCC1CCOCC1 ZINC001574680160 948798843 /nfs/dbraw/zinc/79/88/43/948798843.db2.gz FKYQEUNRYXMIIS-CYBMUJFWSA-N -1 1 388.476 1.560 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCCC1CCOCC1 ZINC001574680160 948798852 /nfs/dbraw/zinc/79/88/52/948798852.db2.gz FKYQEUNRYXMIIS-CYBMUJFWSA-N -1 1 388.476 1.560 20 0 GDADMM CC(C)[C@@H](F)C(=O)NC[C@H]1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574080773 948806791 /nfs/dbraw/zinc/80/67/91/948806791.db2.gz NFZDDSDMZSEPCJ-XJKCOSOUSA-N -1 1 390.467 1.985 20 0 GDADMM CC(C)[C@@H](F)C(=O)NC[C@H]1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574080773 948806806 /nfs/dbraw/zinc/80/68/06/948806806.db2.gz NFZDDSDMZSEPCJ-XJKCOSOUSA-N -1 1 390.467 1.985 20 0 GDADMM CC(C)[C@H](F)C(=O)NC[C@]12CCC[C@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001574081083 948812890 /nfs/dbraw/zinc/81/28/90/948812890.db2.gz PLFHJJGTWQIJAT-QIIPPGSGSA-N -1 1 388.451 1.516 20 0 GDADMM CC(C)[C@H](F)C(=O)NC[C@]12CCC[C@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001574081083 948812919 /nfs/dbraw/zinc/81/29/19/948812919.db2.gz PLFHJJGTWQIJAT-QIIPPGSGSA-N -1 1 388.451 1.516 20 0 GDADMM C[C@H](C(=O)Nc1ccc(C(=O)OC(C)(C)C)cn1)n1cnc(-c2nn[n-]n2)n1 ZINC001573756927 948825307 /nfs/dbraw/zinc/82/53/07/948825307.db2.gz VUSIQTSDRQAJGS-SECBINFHSA-N -1 1 385.388 1.008 20 0 GDADMM C[C@H](CNC(=O)CCCc1ccc(F)cc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574917794 948826503 /nfs/dbraw/zinc/82/65/03/948826503.db2.gz BTHTVXOXCXAPAP-GFCCVEGCSA-N -1 1 384.419 1.735 20 0 GDADMM C[C@H](CNC(=O)CCCc1ccc(F)cc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574917794 948826527 /nfs/dbraw/zinc/82/65/27/948826527.db2.gz BTHTVXOXCXAPAP-GFCCVEGCSA-N -1 1 384.419 1.735 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC001575227379 948827643 /nfs/dbraw/zinc/82/76/43/948827643.db2.gz VMVHMCSJWQFJIT-NWDGAFQWSA-N -1 1 378.387 1.272 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC001575227379 948827661 /nfs/dbraw/zinc/82/76/61/948827661.db2.gz VMVHMCSJWQFJIT-NWDGAFQWSA-N -1 1 378.387 1.272 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001575227620 948828586 /nfs/dbraw/zinc/82/85/86/948828586.db2.gz WIMOVFBMUJKVRJ-KRWDZBQOSA-N -1 1 392.414 1.521 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001575227620 948828602 /nfs/dbraw/zinc/82/86/02/948828602.db2.gz WIMOVFBMUJKVRJ-KRWDZBQOSA-N -1 1 392.414 1.521 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001575227621 948830341 /nfs/dbraw/zinc/83/03/41/948830341.db2.gz WIMOVFBMUJKVRJ-QGZVFWFLSA-N -1 1 392.414 1.521 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001575227621 948830362 /nfs/dbraw/zinc/83/03/62/948830362.db2.gz WIMOVFBMUJKVRJ-QGZVFWFLSA-N -1 1 392.414 1.521 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)c1cccs1 ZINC001573757027 948830232 /nfs/dbraw/zinc/83/02/32/948830232.db2.gz XLCKGHHEPNTIRS-OZWUEAAUSA-N -1 1 382.453 1.073 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)c1cccs1 ZINC001573757027 948830252 /nfs/dbraw/zinc/83/02/52/948830252.db2.gz XLCKGHHEPNTIRS-OZWUEAAUSA-N -1 1 382.453 1.073 20 0 GDADMM C[C@@H](C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1)[C@@H](C)C(C)(C)C ZINC001573757233 948832512 /nfs/dbraw/zinc/83/25/12/948832512.db2.gz YYCPBCGIQNSXGA-GHMZBOCLSA-N -1 1 376.465 1.683 20 0 GDADMM C[C@@H](C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1)[C@@H](C)C(C)(C)C ZINC001573757233 948832513 /nfs/dbraw/zinc/83/25/13/948832513.db2.gz YYCPBCGIQNSXGA-GHMZBOCLSA-N -1 1 376.465 1.683 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001574682604 948832728 /nfs/dbraw/zinc/83/27/28/948832728.db2.gz QYJQZWUOLQFOSV-KWCYVHTRSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001574682604 948832745 /nfs/dbraw/zinc/83/27/45/948832745.db2.gz QYJQZWUOLQFOSV-KWCYVHTRSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@H](C(=O)Nc1ccc(N(C)C(=O)C2CC2)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001573757297 948834391 /nfs/dbraw/zinc/83/43/91/948834391.db2.gz ZPCAOPICGXTCKM-SNVBAGLBSA-N -1 1 381.400 1.031 20 0 GDADMM CC(C)c1ccoc1C(=O)N(C)CCCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574422370 948836471 /nfs/dbraw/zinc/83/64/71/948836471.db2.gz ZPMRLFBWHHYZFY-UHFFFAOYSA-N -1 1 384.444 1.972 20 0 GDADMM CC(C)c1ccoc1C(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574422371 948837797 /nfs/dbraw/zinc/83/77/97/948837797.db2.gz ZQFBOWYZHSDAAJ-BXUZGUMPSA-N -1 1 382.428 1.946 20 0 GDADMM CC(C)c1ccoc1C(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574422371 948837805 /nfs/dbraw/zinc/83/78/05/948837805.db2.gz ZQFBOWYZHSDAAJ-BXUZGUMPSA-N -1 1 382.428 1.946 20 0 GDADMM CC(C)c1ccsc1C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574424112 948839790 /nfs/dbraw/zinc/83/97/90/948839790.db2.gz FKZJUNDYUSNARQ-SNVBAGLBSA-N -1 1 388.457 1.044 20 0 GDADMM CC(C)c1ccsc1C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574424112 948839803 /nfs/dbraw/zinc/83/98/03/948839803.db2.gz FKZJUNDYUSNARQ-SNVBAGLBSA-N -1 1 388.457 1.044 20 0 GDADMM C[C@H](CNC(=O)CCCc1ccccn1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574918487 948846335 /nfs/dbraw/zinc/84/63/35/948846335.db2.gz LKZYAUMJAFQHNM-CYBMUJFWSA-N -1 1 381.444 1.016 20 0 GDADMM C[C@H](CNC(=O)CCCc1ccccn1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574918487 948846352 /nfs/dbraw/zinc/84/63/52/948846352.db2.gz LKZYAUMJAFQHNM-CYBMUJFWSA-N -1 1 381.444 1.016 20 0 GDADMM C[C@H](CNC(=O)CCCc1cccs1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574918543 948848684 /nfs/dbraw/zinc/84/86/84/948848684.db2.gz MYQDCCZLLQVXNF-GFCCVEGCSA-N -1 1 386.485 1.682 20 0 GDADMM C[C@H](CNC(=O)CCCc1cccs1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574918543 948848697 /nfs/dbraw/zinc/84/86/97/948848697.db2.gz MYQDCCZLLQVXNF-GFCCVEGCSA-N -1 1 386.485 1.682 20 0 GDADMM CC(C)[C@H](O)CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC001574082194 948849693 /nfs/dbraw/zinc/84/96/93/948849693.db2.gz BWFYUKRKRXPQAF-LLVKDONJSA-N -1 1 393.391 1.571 20 0 GDADMM C[C@@H](CNC(=O)CCCc1ccccc1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574918507 948851504 /nfs/dbraw/zinc/85/15/04/948851504.db2.gz LUDVXJJWYCKVBA-AWEZNQCLSA-N -1 1 380.456 1.621 20 0 GDADMM C[C@@H](CNC(=O)CCCc1ccccc1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574918507 948851519 /nfs/dbraw/zinc/85/15/19/948851519.db2.gz LUDVXJJWYCKVBA-AWEZNQCLSA-N -1 1 380.456 1.621 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)C1CCC1 ZINC001573762646 948856984 /nfs/dbraw/zinc/85/69/84/948856984.db2.gz WWCPNRUPCWQAHW-OKILXGFUSA-N -1 1 382.472 1.663 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)C1CCC1 ZINC001573762646 948856997 /nfs/dbraw/zinc/85/69/97/948856997.db2.gz WWCPNRUPCWQAHW-OKILXGFUSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H](CNC(=O)CCCc1ccccn1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574919005 948865573 /nfs/dbraw/zinc/86/55/73/948865573.db2.gz UCLRXNILPKOEDM-CYBMUJFWSA-N -1 1 381.444 1.239 20 0 GDADMM C[C@@H](CNC(=O)CCCc1ccccn1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574919005 948865597 /nfs/dbraw/zinc/86/55/97/948865597.db2.gz UCLRXNILPKOEDM-CYBMUJFWSA-N -1 1 381.444 1.239 20 0 GDADMM CC(C)(C(=O)N1CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1)C(F)F ZINC001573763419 948867011 /nfs/dbraw/zinc/86/70/11/948867011.db2.gz DZOWKNXJNPVDTI-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)(C(=O)N1CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1)C(F)F ZINC001573763419 948867029 /nfs/dbraw/zinc/86/70/29/948867029.db2.gz DZOWKNXJNPVDTI-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)c1ccncn1 ZINC001574684442 948867437 /nfs/dbraw/zinc/86/74/37/948867437.db2.gz GOQJIBMDUQGIDJ-ZETCQYMHSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)c1ccccn1 ZINC001574684671 948875851 /nfs/dbraw/zinc/87/58/51/948875851.db2.gz KNDSVVJDUPFFJX-QMMMGPOBSA-N -1 1 378.849 1.992 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)c1ccccn1 ZINC001574684671 948875868 /nfs/dbraw/zinc/87/58/68/948875868.db2.gz KNDSVVJDUPFFJX-QMMMGPOBSA-N -1 1 378.849 1.992 20 0 GDADMM CC(C)(C(=O)N1CC[C@@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1)C1CC1 ZINC001573764344 948887018 /nfs/dbraw/zinc/88/70/18/948887018.db2.gz NLIVESRMZBXEMX-LJQANCHMSA-N -1 1 382.472 1.522 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001575234370 948900504 /nfs/dbraw/zinc/90/05/04/948900504.db2.gz BJUSCNASAISMMR-WCQYABFASA-N -1 1 392.414 1.519 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001575234370 948900512 /nfs/dbraw/zinc/90/05/12/948900512.db2.gz BJUSCNASAISMMR-WCQYABFASA-N -1 1 392.414 1.519 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)[C@H]1CCCCO1 ZINC001574685045 948901412 /nfs/dbraw/zinc/90/14/12/948901412.db2.gz RRSMYUWYGLYUGY-DTWKUNHWSA-N -1 1 385.881 1.852 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)[C@H]1CCCCO1 ZINC001574685045 948901424 /nfs/dbraw/zinc/90/14/24/948901424.db2.gz RRSMYUWYGLYUGY-DTWKUNHWSA-N -1 1 385.881 1.852 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@H](C)[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)s1 ZINC001574428011 948920464 /nfs/dbraw/zinc/92/04/64/948920464.db2.gz XRKSOYLXXPYYLV-NXEZZACHSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@H](C)[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)s1 ZINC001574428011 948920483 /nfs/dbraw/zinc/92/04/83/948920483.db2.gz XRKSOYLXXPYYLV-NXEZZACHSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)(C(=O)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1)C1CCCC1 ZINC001573765677 948921388 /nfs/dbraw/zinc/92/13/88/948921388.db2.gz XAEGXIYEFZDXPU-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)(C(=O)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1)C1CCCC1 ZINC001573765677 948921401 /nfs/dbraw/zinc/92/14/01/948921401.db2.gz XAEGXIYEFZDXPU-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C ZINC001575236894 948941346 /nfs/dbraw/zinc/94/13/46/948941346.db2.gz BAGGMQXYOYDGPD-NSHDSACASA-N -1 1 380.403 1.423 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C ZINC001575236894 948941363 /nfs/dbraw/zinc/94/13/63/948941363.db2.gz BAGGMQXYOYDGPD-NSHDSACASA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](CNC(=O)CCn1cnc2ccccc21)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574923260 948943040 /nfs/dbraw/zinc/94/30/40/948943040.db2.gz INXRAISNZTZLCA-LBPRGKRZSA-N -1 1 392.427 1.013 20 0 GDADMM C[C@@H](CNC(=O)CCn1cnc2ccccc21)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574923260 948943057 /nfs/dbraw/zinc/94/30/57/948943057.db2.gz INXRAISNZTZLCA-LBPRGKRZSA-N -1 1 392.427 1.013 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)C(F)F ZINC001573772078 948953554 /nfs/dbraw/zinc/95/35/54/948953554.db2.gz QFOWWURMVFBWIM-VHSXEESVSA-N -1 1 380.403 1.787 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)C(F)F ZINC001573772078 948953565 /nfs/dbraw/zinc/95/35/65/948953565.db2.gz QFOWWURMVFBWIM-VHSXEESVSA-N -1 1 380.403 1.787 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575239049 948956760 /nfs/dbraw/zinc/95/67/60/948956760.db2.gz PRLVNWWXNOEUIW-MNOVXSKESA-N -1 1 380.403 1.353 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)NC1(CNc2cnc(-c3nnn[n-]3)cn2)CCOCC1 ZINC001574090036 948976227 /nfs/dbraw/zinc/97/62/27/948976227.db2.gz HKLVIRVIYWTPNI-QWHCGFSZSA-N -1 1 386.460 1.026 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)NC1(CNc2cnc(-c3nn[n-]n3)cn2)CCOCC1 ZINC001574090036 948976239 /nfs/dbraw/zinc/97/62/39/948976239.db2.gz HKLVIRVIYWTPNI-QWHCGFSZSA-N -1 1 386.460 1.026 20 0 GDADMM CC(C)c1nnc(N2CCc3[nH]c(=O)c(-c4nn[n-]n4)cc3C2)n1[C@H]1C[C@@H]1C ZINC001574435648 948997999 /nfs/dbraw/zinc/99/79/99/948997999.db2.gz XAILQSHFYKRDQA-HZMBPMFUSA-N -1 1 381.444 1.826 20 0 GDADMM C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001575501308 949008158 /nfs/dbraw/zinc/00/81/58/949008158.db2.gz FUBRGPYDMMCKPL-QMMMGPOBSA-N -1 1 390.404 1.428 20 0 GDADMM C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001575501308 949008172 /nfs/dbraw/zinc/00/81/72/949008172.db2.gz FUBRGPYDMMCKPL-QMMMGPOBSA-N -1 1 390.404 1.428 20 0 GDADMM C[C@@H](CNC(=O)COC(C)(C)C)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574927142 949035430 /nfs/dbraw/zinc/03/54/30/949035430.db2.gz FWHBDHXYYDXDOA-QMMMGPOBSA-N -1 1 387.897 1.733 20 0 GDADMM CC(C)[C@H]1C[C@@H](C(=O)N(C)CCN(C)c2cnc(-c3nnn[n-]3)cn2)CCO1 ZINC001574091886 949035947 /nfs/dbraw/zinc/03/59/47/949035947.db2.gz MQVFBFDMCYJTKB-DZGCQCFKSA-N -1 1 388.476 1.003 20 0 GDADMM CC(C)[C@H]1C[C@@H](C(=O)N(C)CCN(C)c2cnc(-c3nn[n-]n3)cn2)CCO1 ZINC001574091886 949035965 /nfs/dbraw/zinc/03/59/65/949035965.db2.gz MQVFBFDMCYJTKB-DZGCQCFKSA-N -1 1 388.476 1.003 20 0 GDADMM CC(C)(C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCCC1)C(F)F ZINC001573775660 949048411 /nfs/dbraw/zinc/04/84/11/949048411.db2.gz ZPZZVYSVFSEWMK-UHFFFAOYSA-N -1 1 380.403 1.789 20 0 GDADMM CC(C)(C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCCC1)C(F)F ZINC001573775660 949048428 /nfs/dbraw/zinc/04/84/28/949048428.db2.gz ZPZZVYSVFSEWMK-UHFFFAOYSA-N -1 1 380.403 1.789 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1)C1CCC1 ZINC001573778985 949051431 /nfs/dbraw/zinc/05/14/31/949051431.db2.gz BMUWIHLFJCLJQB-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1)C1CCC1 ZINC001573778985 949051447 /nfs/dbraw/zinc/05/14/47/949051447.db2.gz BMUWIHLFJCLJQB-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)c1occc1C(=O)N(C)CCCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574441597 949062087 /nfs/dbraw/zinc/06/20/87/949062087.db2.gz OSBSWJHBSYMVQP-UHFFFAOYSA-N -1 1 384.444 1.972 20 0 GDADMM CC(C)c1occc1C(=O)N(C)CCCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574441597 949062103 /nfs/dbraw/zinc/06/21/03/949062103.db2.gz OSBSWJHBSYMVQP-UHFFFAOYSA-N -1 1 384.444 1.972 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001574092577 949069059 /nfs/dbraw/zinc/06/90/59/949069059.db2.gz OTYJCCKLEFNZFA-XGUBFFRZSA-N -1 1 382.472 1.519 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001574092577 949069069 /nfs/dbraw/zinc/06/90/69/949069069.db2.gz OTYJCCKLEFNZFA-XGUBFFRZSA-N -1 1 382.472 1.519 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)NC1CC2(C1)CC(Nc1ccnc(-c3nn[n-]n3)n1)C2 ZINC001574092883 949084842 /nfs/dbraw/zinc/08/48/42/949084842.db2.gz UWKIZJNDYPIHFJ-MAWWUMEMSA-N -1 1 382.472 1.210 20 0 GDADMM CC(C)(C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCCC1)C(F)F ZINC001573780226 949085465 /nfs/dbraw/zinc/08/54/65/949085465.db2.gz TUKVQBZCSJORKZ-UHFFFAOYSA-N -1 1 380.403 1.789 20 0 GDADMM CC(C)(C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCCC1)C(F)F ZINC001573780226 949085482 /nfs/dbraw/zinc/08/54/82/949085482.db2.gz TUKVQBZCSJORKZ-UHFFFAOYSA-N -1 1 380.403 1.789 20 0 GDADMM C[C@@H](NC(=O)C1(C(F)F)CC1)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575249028 949086848 /nfs/dbraw/zinc/08/68/48/949086848.db2.gz AOWOFMLVYREAGY-GHMZBOCLSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@@H](NC(=O)C1(C(F)F)CC1)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575249028 949086869 /nfs/dbraw/zinc/08/68/69/949086869.db2.gz AOWOFMLVYREAGY-GHMZBOCLSA-N -1 1 392.414 1.423 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)NCC1(C)CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001574093195 949093582 /nfs/dbraw/zinc/09/35/82/949093582.db2.gz UZVRRNAJSRNMRR-KGLIPLIRSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)NCC1(C)CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001574093195 949093597 /nfs/dbraw/zinc/09/35/97/949093597.db2.gz UZVRRNAJSRNMRR-KGLIPLIRSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)c1nocc1C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574442735 949098174 /nfs/dbraw/zinc/09/81/74/949098174.db2.gz SMEFOQMIIOSFGI-UHFFFAOYSA-N -1 1 383.416 1.121 20 0 GDADMM CC(C)c1nocc1C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574442735 949098197 /nfs/dbraw/zinc/09/81/97/949098197.db2.gz SMEFOQMIIOSFGI-UHFFFAOYSA-N -1 1 383.416 1.121 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001574443330 949106859 /nfs/dbraw/zinc/10/68/59/949106859.db2.gz XYPXDBFILKBMHT-GFCCVEGCSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001574443330 949106872 /nfs/dbraw/zinc/10/68/72/949106872.db2.gz XYPXDBFILKBMHT-GFCCVEGCSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1nocc1C(=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574443529 949111375 /nfs/dbraw/zinc/11/13/75/949111375.db2.gz ZOZGWVHLZARIJI-LLVKDONJSA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1nocc1C(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574443529 949111388 /nfs/dbraw/zinc/11/13/88/949111388.db2.gz ZOZGWVHLZARIJI-LLVKDONJSA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1nocc1C(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574443492 949112829 /nfs/dbraw/zinc/11/28/29/949112829.db2.gz ZBGIUVNYWWGOIF-ZWNOBZJWSA-N -1 1 383.416 1.341 20 0 GDADMM CC(C)c1nocc1C(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574443492 949112838 /nfs/dbraw/zinc/11/28/38/949112838.db2.gz ZBGIUVNYWWGOIF-ZWNOBZJWSA-N -1 1 383.416 1.341 20 0 GDADMM C[C@H](NC(=O)C1(C(F)(F)F)CCC1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575250706 949114265 /nfs/dbraw/zinc/11/42/65/949114265.db2.gz GNYXMSQZCCYEET-IUCAKERBSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@H](NC(=O)C1(C(F)(F)F)CCC1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575250706 949114278 /nfs/dbraw/zinc/11/42/78/949114278.db2.gz GNYXMSQZCCYEET-IUCAKERBSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H](C)NC(=O)C1(C(F)F)CCCC1 ZINC001575250934 949122920 /nfs/dbraw/zinc/12/29/20/949122920.db2.gz JEDAWPFFAZUYLP-ZJUUUORDSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)C1(C(F)F)CCCC1 ZINC001575250934 949122940 /nfs/dbraw/zinc/12/29/40/949122940.db2.gz JEDAWPFFAZUYLP-ZJUUUORDSA-N -1 1 380.403 1.787 20 0 GDADMM CC(C)(C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ccccc1 ZINC001573782827 949132718 /nfs/dbraw/zinc/13/27/18/949132718.db2.gz LEOQJVSAHYYUSX-CTYIDZIISA-N -1 1 392.467 1.941 20 0 GDADMM CC(C)(C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ccccc1 ZINC001573782827 949132736 /nfs/dbraw/zinc/13/27/36/949132736.db2.gz LEOQJVSAHYYUSX-CTYIDZIISA-N -1 1 392.467 1.941 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)NCC1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574094206 949133785 /nfs/dbraw/zinc/13/37/85/949133785.db2.gz XWXUVNVGICXJKC-UONOGXRCSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)NCC1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574094206 949133799 /nfs/dbraw/zinc/13/37/99/949133799.db2.gz XWXUVNVGICXJKC-UONOGXRCSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)c1occc1C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574446452 949134451 /nfs/dbraw/zinc/13/44/51/949134451.db2.gz QKRIEVLQSGYGKD-HAQNSBGRSA-N -1 1 382.428 1.416 20 0 GDADMM CC(C)c1occc1C(=O)NC[C@@H](Nc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001574446610 949136618 /nfs/dbraw/zinc/13/66/18/949136618.db2.gz SWVUHOBMTYLBAC-CYBMUJFWSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1occc1C(=O)NC[C@@H](Nc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001574446610 949136623 /nfs/dbraw/zinc/13/66/23/949136623.db2.gz SWVUHOBMTYLBAC-CYBMUJFWSA-N -1 1 382.428 1.994 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)Cc1cc2ccccc2o1 ZINC001574697042 949145760 /nfs/dbraw/zinc/14/57/60/949145760.db2.gz XQGMOZXFSLSUSY-GFCCVEGCSA-N -1 1 392.423 1.952 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)Cc1cc2ccccc2o1 ZINC001574697042 949145773 /nfs/dbraw/zinc/14/57/73/949145773.db2.gz XQGMOZXFSLSUSY-GFCCVEGCSA-N -1 1 392.423 1.952 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574447104 949148875 /nfs/dbraw/zinc/14/88/75/949148875.db2.gz GDLDWHOLPWZKDJ-LLVKDONJSA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574447104 949148883 /nfs/dbraw/zinc/14/88/83/949148883.db2.gz GDLDWHOLPWZKDJ-LLVKDONJSA-N -1 1 383.416 1.485 20 0 GDADMM C[C@H](CNC(=O)COc1ccc(Cl)cc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574934211 949151688 /nfs/dbraw/zinc/15/16/88/949151688.db2.gz CLLNVTVKTXQYDE-SNVBAGLBSA-N -1 1 388.819 1.306 20 0 GDADMM C[C@H](CNC(=O)COc1ccc(Cl)cc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574934211 949151704 /nfs/dbraw/zinc/15/17/04/949151704.db2.gz CLLNVTVKTXQYDE-SNVBAGLBSA-N -1 1 388.819 1.306 20 0 GDADMM CC(C)c1ocnc1C(=O)NCC1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574447520 949160528 /nfs/dbraw/zinc/16/05/28/949160528.db2.gz RDXFATPAYORNOE-UHFFFAOYSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1ocnc1C(=O)NCC1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574447520 949160543 /nfs/dbraw/zinc/16/05/43/949160543.db2.gz RDXFATPAYORNOE-UHFFFAOYSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1ocnc1C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001574447464 949161097 /nfs/dbraw/zinc/16/10/97/949161097.db2.gz OLIGIUKCIKCLMK-NSHDSACASA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1ocnc1C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001574447464 949161108 /nfs/dbraw/zinc/16/11/08/949161108.db2.gz OLIGIUKCIKCLMK-NSHDSACASA-N -1 1 383.416 1.167 20 0 GDADMM C[C@H](NC(=O)C(C)(C)CC(F)(F)F)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575252427 949162928 /nfs/dbraw/zinc/16/29/28/949162928.db2.gz QHXGAZIECQCBGY-IUCAKERBSA-N -1 1 386.382 1.362 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001574447532 949163216 /nfs/dbraw/zinc/16/32/16/949163216.db2.gz RVLZRDJLDLPBHI-LLVKDONJSA-N -1 1 383.416 1.024 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001574447532 949163233 /nfs/dbraw/zinc/16/32/33/949163233.db2.gz RVLZRDJLDLPBHI-LLVKDONJSA-N -1 1 383.416 1.024 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ccccc1 ZINC001573787052 949164889 /nfs/dbraw/zinc/16/48/89/949164889.db2.gz KXIKQJBSIJAABV-HDJSIYSDSA-N -1 1 378.440 1.694 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ccccc1 ZINC001573787052 949164902 /nfs/dbraw/zinc/16/49/02/949164902.db2.gz KXIKQJBSIJAABV-HDJSIYSDSA-N -1 1 378.440 1.694 20 0 GDADMM C[C@H](CNC(=O)COc1ccccc1Cl)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574934683 949170875 /nfs/dbraw/zinc/17/08/75/949170875.db2.gz NYNJJSFIMWHDKP-SNVBAGLBSA-N -1 1 388.819 1.306 20 0 GDADMM C[C@H](CNC(=O)COc1ccccc1Cl)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574934683 949170891 /nfs/dbraw/zinc/17/08/91/949170891.db2.gz NYNJJSFIMWHDKP-SNVBAGLBSA-N -1 1 388.819 1.306 20 0 GDADMM CC(C)c1oncc1C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574447974 949174433 /nfs/dbraw/zinc/17/44/33/949174433.db2.gz ADZCZZGMXFEMMC-NSHDSACASA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1oncc1C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574447974 949174448 /nfs/dbraw/zinc/17/44/48/949174448.db2.gz ADZCZZGMXFEMMC-NSHDSACASA-N -1 1 383.416 1.167 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H](F)Cc1ccccc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574698171 949180217 /nfs/dbraw/zinc/18/02/17/949180217.db2.gz GXFZRNAXCOEBDJ-OCCSQVGLSA-N -1 1 384.419 1.496 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H](F)Cc1ccccc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574698171 949180230 /nfs/dbraw/zinc/18/02/30/949180230.db2.gz GXFZRNAXCOEBDJ-OCCSQVGLSA-N -1 1 384.419 1.496 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(F)cc1F)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574935369 949200093 /nfs/dbraw/zinc/20/00/93/949200093.db2.gz AYVVHOLESVPDON-SNVBAGLBSA-N -1 1 388.382 1.119 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(F)cc1F)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574935369 949200101 /nfs/dbraw/zinc/20/01/01/949200101.db2.gz AYVVHOLESVPDON-SNVBAGLBSA-N -1 1 388.382 1.119 20 0 GDADMM CC1(Nc2ccc(-c3nn[n-]n3)nn2)CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001575853911 949226230 /nfs/dbraw/zinc/22/62/30/949226230.db2.gz ORTHTYBMBVQPBB-BZPMIXESSA-N -1 1 384.444 1.017 20 0 GDADMM CC1(Nc2ccc(-c3nnn[n-]3)nn2)CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001575853911 949226206 /nfs/dbraw/zinc/22/62/06/949226206.db2.gz ORTHTYBMBVQPBB-BZPMIXESSA-N -1 1 384.444 1.017 20 0 GDADMM CC(C)c1scnc1C(=O)NCC=CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001574451468 949230091 /nfs/dbraw/zinc/23/00/91/949230091.db2.gz PYKAQCWNQVOJJK-ONEGZZNKSA-N -1 1 385.457 1.635 20 0 GDADMM CC(C)c1scnc1C(=O)NCC=CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001574451468 949230124 /nfs/dbraw/zinc/23/01/24/949230124.db2.gz PYKAQCWNQVOJJK-ONEGZZNKSA-N -1 1 385.457 1.635 20 0 GDADMM C[C@@H]1CCC[C@@H](C(=O)NC2(C)CCN(c3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001576151700 949231414 /nfs/dbraw/zinc/23/14/14/949231414.db2.gz IBZKGFLWMRIEGX-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCC[C@@H](C(=O)NC2(C)CCN(c3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001576151700 949231436 /nfs/dbraw/zinc/23/14/36/949231436.db2.gz IBZKGFLWMRIEGX-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)c1scnc1C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574451668 949238749 /nfs/dbraw/zinc/23/87/49/949238749.db2.gz SRTVJYUWPZNQIK-UHFFFAOYSA-N -1 1 385.457 1.611 20 0 GDADMM CC(C)c1scnc1C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574451668 949238765 /nfs/dbraw/zinc/23/87/65/949238765.db2.gz SRTVJYUWPZNQIK-UHFFFAOYSA-N -1 1 385.457 1.611 20 0 GDADMM CC(C)c1scnc1C(=O)N(C)[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001574451713 949241652 /nfs/dbraw/zinc/24/16/52/949241652.db2.gz VQBJIWUIASSHEG-JTQLQIEISA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)c1scnc1C(=O)N(C)[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001574451713 949241665 /nfs/dbraw/zinc/24/16/65/949241665.db2.gz VQBJIWUIASSHEG-JTQLQIEISA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)(C)C(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1c1nccnc1-c1nnn[n-]1 ZINC001573792355 949243816 /nfs/dbraw/zinc/24/38/16/949243816.db2.gz OTLVZRTYNDZYIF-CRWXNKLISA-N -1 1 382.472 1.376 20 0 GDADMM CC(C)(C)C(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1c1nccnc1-c1nn[n-]n1 ZINC001573792355 949243839 /nfs/dbraw/zinc/24/38/39/949243839.db2.gz OTLVZRTYNDZYIF-CRWXNKLISA-N -1 1 382.472 1.376 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574452007 949253493 /nfs/dbraw/zinc/25/34/93/949253493.db2.gz DYDRPHTXFYMGTH-AOOOYVTPSA-N -1 1 385.457 1.610 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574452007 949253514 /nfs/dbraw/zinc/25/35/14/949253514.db2.gz DYDRPHTXFYMGTH-AOOOYVTPSA-N -1 1 385.457 1.610 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574451973 949254932 /nfs/dbraw/zinc/25/49/32/949254932.db2.gz CPRXZTUFEQPBFG-MGCOHNPYSA-N -1 1 385.457 1.610 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574451973 949254950 /nfs/dbraw/zinc/25/49/50/949254950.db2.gz CPRXZTUFEQPBFG-MGCOHNPYSA-N -1 1 385.457 1.610 20 0 GDADMM C[C@@H]1CCC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576152782 949261572 /nfs/dbraw/zinc/26/15/72/949261572.db2.gz KZRCCMSWMZBBIR-BARDWOONSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H]1CCC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576152782 949261596 /nfs/dbraw/zinc/26/15/96/949261596.db2.gz KZRCCMSWMZBBIR-BARDWOONSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(C2CC2)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574940444 949263307 /nfs/dbraw/zinc/26/33/07/949263307.db2.gz FYXUKJAVJGXVRU-GFCCVEGCSA-N -1 1 378.440 1.115 20 0 GDADMM CC(C)(C)C(=O)N1CCC([C@@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573792704 949264398 /nfs/dbraw/zinc/26/43/98/949264398.db2.gz TZAFZUWBLKKSHO-HNNXBMFYSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)(C)C(=O)N1CCC([C@@H]2CCCN2c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573792704 949264415 /nfs/dbraw/zinc/26/44/15/949264415.db2.gz TZAFZUWBLKKSHO-HNNXBMFYSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)(C)C(=O)N1CCC[C@H]([C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001573792789 949270646 /nfs/dbraw/zinc/27/06/46/949270646.db2.gz VKKAYOZJJDXZOF-UONOGXRCSA-N -1 1 384.488 1.768 20 0 GDADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)[C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC001575857658 949272827 /nfs/dbraw/zinc/27/28/27/949272827.db2.gz TVLNEYQYOUFVDV-BFHYXJOUSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)[C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC001575857658 949272858 /nfs/dbraw/zinc/27/28/58/949272858.db2.gz TVLNEYQYOUFVDV-BFHYXJOUSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@@H]1CCC[C@H](C(=O)N2C[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]3C2)C1 ZINC001576153356 949288090 /nfs/dbraw/zinc/28/80/90/949288090.db2.gz LZSKDQPGJSAQBK-BARDWOONSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(Cl)c1F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574941202 949292566 /nfs/dbraw/zinc/29/25/66/949292566.db2.gz PHRKRYYFVLAWKQ-SECBINFHSA-N -1 1 390.810 1.609 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(Cl)c1F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574941202 949292587 /nfs/dbraw/zinc/29/25/87/949292587.db2.gz PHRKRYYFVLAWKQ-SECBINFHSA-N -1 1 390.810 1.609 20 0 GDADMM CC1=C(C)C[C@](C)(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001575860256 949293443 /nfs/dbraw/zinc/29/34/43/949293443.db2.gz FKLRLEATZNFLTR-AUUYWEPGSA-N -1 1 382.472 1.878 20 0 GDADMM CC1=C(C)C[C@](C)(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001575860256 949293465 /nfs/dbraw/zinc/29/34/65/949293465.db2.gz FKLRLEATZNFLTR-AUUYWEPGSA-N -1 1 382.472 1.878 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccoc1 ZINC001576153743 949294467 /nfs/dbraw/zinc/29/44/67/949294467.db2.gz AMINPLMAUODZQM-SGTLLEGYSA-N -1 1 382.428 1.462 20 0 GDADMM CC1=C(C)C[C@](C)(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001575860658 949309421 /nfs/dbraw/zinc/30/94/21/949309421.db2.gz KRBFVYSMPMEEEY-IFXJQAMLSA-N -1 1 382.472 1.878 20 0 GDADMM CC1=C(C)C[C@](C)(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001575860658 949309444 /nfs/dbraw/zinc/30/94/44/949309444.db2.gz KRBFVYSMPMEEEY-IFXJQAMLSA-N -1 1 382.472 1.878 20 0 GDADMM C[C@@H](CN(C)C(=O)C1(C(F)(F)F)CCC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574703184 949311958 /nfs/dbraw/zinc/31/19/58/949311958.db2.gz SPXKGMNNUDJLEV-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](CN(C)C(=O)C1(C(F)(F)F)CCC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574703184 949311979 /nfs/dbraw/zinc/31/19/79/949311979.db2.gz SPXKGMNNUDJLEV-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](NC(=O)C1C=CC=CC=C1)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575259465 949327132 /nfs/dbraw/zinc/32/71/32/949327132.db2.gz OTCWSJPBGGWMNF-ZBFHGGJFSA-N -1 1 392.467 1.676 20 0 GDADMM C[C@@H](NC(=O)C1C=CC=CC=C1)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575259465 949327154 /nfs/dbraw/zinc/32/71/54/949327154.db2.gz OTCWSJPBGGWMNF-ZBFHGGJFSA-N -1 1 392.467 1.676 20 0 GDADMM C[C@H]1CCC[C@H]1CC(=O)NC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576154240 949330980 /nfs/dbraw/zinc/33/09/80/949330980.db2.gz CTZRWTCPFZURBN-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCC[C@H]1CC(=O)NC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576154240 949331005 /nfs/dbraw/zinc/33/10/05/949331005.db2.gz CTZRWTCPFZURBN-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCC[C@H](C(=O)N2CCC(CNc3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001576154929 949367863 /nfs/dbraw/zinc/36/78/63/949367863.db2.gz RPWVGBMDZZZJQJ-HIFRSBDPSA-N -1 1 384.488 1.555 20 0 GDADMM CC(C)(C)C(=O)N[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C[C@H]1O ZINC001573799386 949371414 /nfs/dbraw/zinc/37/14/14/949371414.db2.gz LZZTZGAPSUGKTF-HTQZYQBOSA-N -1 1 385.881 1.079 20 0 GDADMM C[C@H](NC(=O)CC(C)(F)F)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575263147 949388736 /nfs/dbraw/zinc/38/87/36/949388736.db2.gz FBKIXSQVKXYHSD-WDEREUQCSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H](NC(=O)CC(C)(F)F)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575263147 949388758 /nfs/dbraw/zinc/38/87/58/949388758.db2.gz FBKIXSQVKXYHSD-WDEREUQCSA-N -1 1 380.403 1.423 20 0 GDADMM CC(C)n1cnc(C(=O)N2CCC(Nc3ccc(-c4nnn[n-]4)nn3)CC2)c1 ZINC001574463966 949392902 /nfs/dbraw/zinc/39/29/02/949392902.db2.gz CXWFCHUYKPGXHH-UHFFFAOYSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1cnc(C(=O)N2CCC(Nc3ccc(-c4nn[n-]n4)nn3)CC2)c1 ZINC001574463966 949392918 /nfs/dbraw/zinc/39/29/18/949392918.db2.gz CXWFCHUYKPGXHH-UHFFFAOYSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccn[nH]1 ZINC001576155364 949399366 /nfs/dbraw/zinc/39/93/66/949399366.db2.gz INCCSHDMJKLETN-APPDUMDISA-N -1 1 382.432 1.171 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccn[nH]1 ZINC001576155364 949399387 /nfs/dbraw/zinc/39/93/87/949399387.db2.gz INCCSHDMJKLETN-APPDUMDISA-N -1 1 382.432 1.171 20 0 GDADMM C[C@@H](CNC(=O)Cc1cscn1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574944883 949402231 /nfs/dbraw/zinc/40/22/31/949402231.db2.gz HYPIBVFTOTYQME-LURJTMIESA-N -1 1 384.878 1.592 20 0 GDADMM C[C@@H](CNC(=O)Cc1cscn1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574944883 949402241 /nfs/dbraw/zinc/40/22/41/949402241.db2.gz HYPIBVFTOTYQME-LURJTMIESA-N -1 1 384.878 1.592 20 0 GDADMM CC1(C)CN(C(=O)C2(C)CCOCC2)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001575528568 949403597 /nfs/dbraw/zinc/40/35/97/949403597.db2.gz XJSWEAIZVKKQDB-LBPRGKRZSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CN(C(=O)C2(C)CCOCC2)C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001575528568 949403610 /nfs/dbraw/zinc/40/36/10/949403610.db2.gz XJSWEAIZVKKQDB-LBPRGKRZSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C(=O)N2CCC([C@@H]3CCCN3c3ccc(-c4nnn[n-]4)nn3)CC2)CC1 ZINC001575533326 949417292 /nfs/dbraw/zinc/41/72/92/949417292.db2.gz GWPXLTMBMWSWCY-HNNXBMFYSA-N -1 1 382.472 1.664 20 0 GDADMM CC1(C(=O)N2CCC([C@@H]3CCCN3c3ccc(-c4nn[n-]n4)nn3)CC2)CC1 ZINC001575533326 949417299 /nfs/dbraw/zinc/41/72/99/949417299.db2.gz GWPXLTMBMWSWCY-HNNXBMFYSA-N -1 1 382.472 1.664 20 0 GDADMM C[C@H](CNC(=O)Cc1cncs1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574945984 949422631 /nfs/dbraw/zinc/42/26/31/949422631.db2.gz QYCXJSOGWMPGAA-ZCFIWIBFSA-N -1 1 384.878 1.592 20 0 GDADMM C[C@H](CNC(=O)Cc1cncs1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574945984 949422638 /nfs/dbraw/zinc/42/26/38/949422638.db2.gz QYCXJSOGWMPGAA-ZCFIWIBFSA-N -1 1 384.878 1.592 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1CCCCC1(F)F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574705597 949435336 /nfs/dbraw/zinc/43/53/36/949435336.db2.gz JCKYRDSVIHPIIT-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1CCCCC1(F)F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574705597 949435356 /nfs/dbraw/zinc/43/53/56/949435356.db2.gz JCKYRDSVIHPIIT-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2(C(C)(F)F)CC2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575867734 949441438 /nfs/dbraw/zinc/44/14/38/949441438.db2.gz JZYFJRFIUSIPMT-GHMZBOCLSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2(C(C)(F)F)CC2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575867734 949441451 /nfs/dbraw/zinc/44/14/51/949441451.db2.gz JZYFJRFIUSIPMT-GHMZBOCLSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H](NC(=O)C1CCCCC1)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575265295 949449439 /nfs/dbraw/zinc/44/94/39/949449439.db2.gz UAQJAUVCPPTMSZ-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](NC(=O)C1CCCCC1)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575265295 949449459 /nfs/dbraw/zinc/44/94/59/949449459.db2.gz UAQJAUVCPPTMSZ-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)n1ncc(C(=O)N[C@H](C)CNc2cnc(-c3nnn[n-]3)cn2)c1Cl ZINC001574468510 949463817 /nfs/dbraw/zinc/46/38/17/949463817.db2.gz NFJOINNEUOQRPG-SECBINFHSA-N -1 1 390.839 1.318 20 0 GDADMM CC(C)n1ncc(C(=O)N[C@H](C)CNc2cnc(-c3nn[n-]n3)cn2)c1Cl ZINC001574468510 949463833 /nfs/dbraw/zinc/46/38/33/949463833.db2.gz NFJOINNEUOQRPG-SECBINFHSA-N -1 1 390.839 1.318 20 0 GDADMM CC(C)n1cnc(C(=O)NC[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001574468797 949469386 /nfs/dbraw/zinc/46/93/86/949469386.db2.gz RLTCQSKEGCZGDJ-HAQNSBGRSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cnc(C(=O)NC[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001574468797 949469397 /nfs/dbraw/zinc/46/93/97/949469397.db2.gz RLTCQSKEGCZGDJ-HAQNSBGRSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@H](NC(=O)CCC(F)F)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575266262 949471779 /nfs/dbraw/zinc/47/17/79/949471779.db2.gz CJESOAKOCPWEKP-QWRGUYRKSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H](NC(=O)CCC(F)F)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575266262 949471793 /nfs/dbraw/zinc/47/17/93/949471793.db2.gz CJESOAKOCPWEKP-QWRGUYRKSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](CN(C)C(=O)C1CC2(C1)CCOCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574708531 949492583 /nfs/dbraw/zinc/49/25/83/949492583.db2.gz WFPHPMNDMCQRSQ-LBPRGKRZSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](CN(C)C(=O)C1CC2(C1)CCOCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574708531 949492594 /nfs/dbraw/zinc/49/25/94/949492594.db2.gz WFPHPMNDMCQRSQ-LBPRGKRZSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@]1(C(=O)N2CC[C@@H](Nc3nc(Cl)c(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575537437 949495025 /nfs/dbraw/zinc/49/50/25/949495025.db2.gz UVRGFUVCJMGPNS-CLAHSXSESA-N -1 1 383.865 1.416 20 0 GDADMM C[C@]1(C(=O)N2CC[C@@H](Nc3nc(Cl)c(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575537437 949495040 /nfs/dbraw/zinc/49/50/40/949495040.db2.gz UVRGFUVCJMGPNS-CLAHSXSESA-N -1 1 383.865 1.416 20 0 GDADMM C[C@@H]1CCC[C@H]1CC(=O)NC1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576158816 949507003 /nfs/dbraw/zinc/50/70/03/949507003.db2.gz UTJWZUCGKMWLOK-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@]1(C(=O)N2CCC[C@@H](CCNc3nccnc3-c3nnn[n-]3)C2)CCOC1 ZINC001575538186 949511929 /nfs/dbraw/zinc/51/19/29/949511929.db2.gz DQQUJBLGURGWJP-SCLBCKFNSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@@]1(C(=O)N2CCC[C@@H](CCNc3nccnc3-c3nn[n-]n3)C2)CCOC1 ZINC001575538186 949511941 /nfs/dbraw/zinc/51/19/41/949511941.db2.gz DQQUJBLGURGWJP-SCLBCKFNSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2(F)CCCCC2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575871957 949524182 /nfs/dbraw/zinc/52/41/82/949524182.db2.gz DCZITQJYKQVZIB-STQMWFEESA-N -1 1 388.451 1.803 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2(F)CCCCC2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575871957 949524192 /nfs/dbraw/zinc/52/41/92/949524192.db2.gz DCZITQJYKQVZIB-STQMWFEESA-N -1 1 388.451 1.803 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2(CCF)CC2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576163373 949531342 /nfs/dbraw/zinc/53/13/42/949531342.db2.gz AQEBPQIJUKHISN-TZMCWYRMSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2(CCF)CC2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576163373 949531356 /nfs/dbraw/zinc/53/13/56/949531356.db2.gz AQEBPQIJUKHISN-TZMCWYRMSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@@H]1CCCC[C@H]1OCC(=O)NCCCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001576163579 949534650 /nfs/dbraw/zinc/53/46/50/949534650.db2.gz CCCHSLHSABVOSU-ZIAGYGMSSA-N -1 1 388.476 1.195 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1)c1ccncc1 ZINC001574472177 949547684 /nfs/dbraw/zinc/54/76/84/949547684.db2.gz REBAZGMAABQCNR-STQMWFEESA-N -1 1 381.444 1.504 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1)c1ccncc1 ZINC001574472177 949547708 /nfs/dbraw/zinc/54/77/08/949547708.db2.gz REBAZGMAABQCNR-STQMWFEESA-N -1 1 381.444 1.504 20 0 GDADMM C[C@H](CC(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574475524 949573224 /nfs/dbraw/zinc/57/32/24/949573224.db2.gz BELUELKLZUIFSW-NXEZZACHSA-N -1 1 384.366 1.282 20 0 GDADMM CC1(C(=O)N2CCCO[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)CCCC1 ZINC001575544839 949591522 /nfs/dbraw/zinc/59/15/22/949591522.db2.gz GLKJINHMGDMVSS-ZDUSSCGKSA-N -1 1 386.460 1.266 20 0 GDADMM CC1(C(=O)N2CCCO[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)CCCC1 ZINC001575544839 949591550 /nfs/dbraw/zinc/59/15/50/949591550.db2.gz GLKJINHMGDMVSS-ZDUSSCGKSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1CCc2cccnc21)Nc1nccnc1-c1nnn[n-]1 ZINC001574713119 949596015 /nfs/dbraw/zinc/59/60/15/949596015.db2.gz VYRXCEZIVJDYRZ-YPMHNXCESA-N -1 1 379.428 1.041 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1CCc2cccnc21)Nc1nccnc1-c1nn[n-]n1 ZINC001574713119 949596032 /nfs/dbraw/zinc/59/60/32/949596032.db2.gz VYRXCEZIVJDYRZ-YPMHNXCESA-N -1 1 379.428 1.041 20 0 GDADMM CC(C)CC(C)(C)C(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001574128077 949621611 /nfs/dbraw/zinc/62/16/11/949621611.db2.gz KWSGKPLPFPXWRG-OKILXGFUSA-N -1 1 384.488 1.624 20 0 GDADMM CC(C)CC(C)(C)C(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001574128077 949621622 /nfs/dbraw/zinc/62/16/22/949621622.db2.gz KWSGKPLPFPXWRG-OKILXGFUSA-N -1 1 384.488 1.624 20 0 GDADMM C[C@H](CC(=O)N(C)C[C@H](C)Nc1cncc(-c2nnn[n-]2)n1)c1ccncc1 ZINC001574714094 949624053 /nfs/dbraw/zinc/62/40/53/949624053.db2.gz BYDXQSCBXIIXOR-OLZOCXBDSA-N -1 1 381.444 1.504 20 0 GDADMM C[C@H](CC(=O)N(C)C[C@H](C)Nc1cncc(-c2nn[n-]n2)n1)c1ccncc1 ZINC001574714094 949624061 /nfs/dbraw/zinc/62/40/61/949624061.db2.gz BYDXQSCBXIIXOR-OLZOCXBDSA-N -1 1 381.444 1.504 20 0 GDADMM CC1(C(=O)N2CCCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)CC(F)(F)C1 ZINC001575547309 949624998 /nfs/dbraw/zinc/62/49/98/949624998.db2.gz XCIOFCYVRZNXSQ-LLVKDONJSA-N -1 1 392.414 1.885 20 0 GDADMM CC1(C(=O)N2CCCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)CC(F)(F)C1 ZINC001575547309 949625014 /nfs/dbraw/zinc/62/50/14/949625014.db2.gz XCIOFCYVRZNXSQ-LLVKDONJSA-N -1 1 392.414 1.885 20 0 GDADMM C[C@@H]1[C@H](NC(=O)Cc2ccccc2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575875538 949634391 /nfs/dbraw/zinc/63/43/91/949634391.db2.gz IKCFKCIDFXTEKE-UKRRQHHQSA-N -1 1 378.440 1.373 20 0 GDADMM C[C@@H]1[C@H](NC(=O)Cc2ccccc2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575875538 949634406 /nfs/dbraw/zinc/63/44/06/949634406.db2.gz IKCFKCIDFXTEKE-UKRRQHHQSA-N -1 1 378.440 1.373 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@@H]1CCCO1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574715171 949640860 /nfs/dbraw/zinc/64/08/60/949640860.db2.gz HHLXMQUYLIPKRM-IUCAKERBSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)NC[C@@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574957932 949641708 /nfs/dbraw/zinc/64/17/08/949641708.db2.gz JJDKKOPTYHRZNM-ZIAGYGMSSA-N -1 1 380.456 1.476 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C1(CCF)CC1 ZINC001573815881 949661801 /nfs/dbraw/zinc/66/18/01/949661801.db2.gz LGNILRZBPSVIPF-LBPRGKRZSA-N -1 1 376.440 1.739 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C1(CCF)CC1 ZINC001573815881 949661816 /nfs/dbraw/zinc/66/18/16/949661816.db2.gz LGNILRZBPSVIPF-LBPRGKRZSA-N -1 1 376.440 1.739 20 0 GDADMM C[C@H](NC(=O)CCC1CCC1)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575273598 949669495 /nfs/dbraw/zinc/66/94/95/949669495.db2.gz XGEUHPQKCOWXOC-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](NC(=O)CCC1CCC1)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575273598 949669510 /nfs/dbraw/zinc/66/95/10/949669510.db2.gz XGEUHPQKCOWXOC-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CCC(F)(F)F)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575878249 949677278 /nfs/dbraw/zinc/67/72/78/949677278.db2.gz OEDPUIPGNUSGHJ-NXEZZACHSA-N -1 1 384.366 1.473 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CCC(F)(F)F)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575878249 949677293 /nfs/dbraw/zinc/67/72/93/949677293.db2.gz OEDPUIPGNUSGHJ-NXEZZACHSA-N -1 1 384.366 1.473 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001574477821 949679471 /nfs/dbraw/zinc/67/94/71/949679471.db2.gz VFKZQEYKNJGLES-VHSXEESVSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001574477821 949679489 /nfs/dbraw/zinc/67/94/89/949679489.db2.gz VFKZQEYKNJGLES-VHSXEESVSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001574477805 949680373 /nfs/dbraw/zinc/68/03/73/949680373.db2.gz UUVHQBCGMPBDGS-HOCLYGCPSA-N -1 1 392.467 1.888 20 0 GDADMM CC(C)CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1 ZINC001574132160 949680387 /nfs/dbraw/zinc/68/03/87/949680387.db2.gz RODKUYSJRKREFK-MCIONIFRSA-N -1 1 384.488 1.955 20 0 GDADMM CC(C)CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1 ZINC001574132160 949680407 /nfs/dbraw/zinc/68/04/07/949680407.db2.gz RODKUYSJRKREFK-MCIONIFRSA-N -1 1 384.488 1.955 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574477805 949680388 /nfs/dbraw/zinc/68/03/88/949680388.db2.gz UUVHQBCGMPBDGS-HOCLYGCPSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@@H](NC(=O)CCCc1cccnc1)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575274284 949682303 /nfs/dbraw/zinc/68/23/03/949682303.db2.gz ZWXPRGJUFAWIKD-CHWSQXEVSA-N -1 1 381.444 1.380 20 0 GDADMM C[C@@H](NC(=O)CCCc1cccnc1)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575274284 949682309 /nfs/dbraw/zinc/68/23/09/949682309.db2.gz ZWXPRGJUFAWIKD-CHWSQXEVSA-N -1 1 381.444 1.380 20 0 GDADMM C[C@H](NC(=O)CCCc1cccnc1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575274287 949683090 /nfs/dbraw/zinc/68/30/90/949683090.db2.gz ZWXPRGJUFAWIKD-STQMWFEESA-N -1 1 381.444 1.380 20 0 GDADMM C[C@H](NC(=O)CCCc1cccnc1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575274287 949683112 /nfs/dbraw/zinc/68/31/12/949683112.db2.gz ZWXPRGJUFAWIKD-STQMWFEESA-N -1 1 381.444 1.380 20 0 GDADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)CCc1ccccc1F ZINC001575274578 949687255 /nfs/dbraw/zinc/68/72/55/949687255.db2.gz APLADRMITGNRCL-NEPJUHHUSA-N -1 1 384.419 1.734 20 0 GDADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)CCc1ccccc1F ZINC001575274578 949687269 /nfs/dbraw/zinc/68/72/69/949687269.db2.gz APLADRMITGNRCL-NEPJUHHUSA-N -1 1 384.419 1.734 20 0 GDADMM C[C@@H](CNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574958794 949696148 /nfs/dbraw/zinc/69/61/48/949696148.db2.gz WRLFRDWKFRCNAC-AGKSTNPPSA-N -1 1 392.467 1.791 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccsc1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574958972 949698777 /nfs/dbraw/zinc/69/87/77/949698777.db2.gz OWFHLWMKAFAQDS-WCFLWFBJSA-N -1 1 384.469 1.686 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccsc1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574958972 949698795 /nfs/dbraw/zinc/69/87/95/949698795.db2.gz OWFHLWMKAFAQDS-WCFLWFBJSA-N -1 1 384.469 1.686 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574478354 949704344 /nfs/dbraw/zinc/70/43/44/949704344.db2.gz YPCNVTRWTRJFKF-UONOGXRCSA-N -1 1 381.444 1.147 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@]1(C)CCCOC1 ZINC001575557120 949707535 /nfs/dbraw/zinc/70/75/35/949707535.db2.gz ASZHHLCDIWVBOC-ACJLOTCBSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@]1(C)CCCOC1 ZINC001575557120 949707550 /nfs/dbraw/zinc/70/75/50/949707550.db2.gz ASZHHLCDIWVBOC-ACJLOTCBSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574959418 949711678 /nfs/dbraw/zinc/71/16/78/949711678.db2.gz RRCAJNBIOVNFTQ-ZQGRQUNCSA-N -1 1 392.467 1.799 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574959418 949711697 /nfs/dbraw/zinc/71/16/97/949711697.db2.gz RRCAJNBIOVNFTQ-ZQGRQUNCSA-N -1 1 392.467 1.799 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574960415 949726512 /nfs/dbraw/zinc/72/65/12/949726512.db2.gz WYJJPQYOHINDRM-KDXUFGMBSA-N -1 1 383.865 1.461 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574960415 949726521 /nfs/dbraw/zinc/72/65/21/949726521.db2.gz WYJJPQYOHINDRM-KDXUFGMBSA-N -1 1 383.865 1.461 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001574479037 949727781 /nfs/dbraw/zinc/72/77/81/949727781.db2.gz CEKXKEVQXSTBCC-UWVGGRQHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001574479037 949727795 /nfs/dbraw/zinc/72/77/95/949727795.db2.gz CEKXKEVQXSTBCC-UWVGGRQHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@H](CC(=O)N1CCC(CN(C)c2ccnc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001574479318 949732938 /nfs/dbraw/zinc/73/29/38/949732938.db2.gz DOMYYUPMZLUJKW-CYBMUJFWSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001574480432 949746824 /nfs/dbraw/zinc/74/68/24/949746824.db2.gz IJXTWKPMDOMMRK-UWVGGRQHSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001574480432 949746842 /nfs/dbraw/zinc/74/68/42/949746842.db2.gz IJXTWKPMDOMMRK-UWVGGRQHSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001574480433 949748533 /nfs/dbraw/zinc/74/85/33/949748533.db2.gz IJXTWKPMDOMMRK-VHSXEESVSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001574480433 949748550 /nfs/dbraw/zinc/74/85/50/949748550.db2.gz IJXTWKPMDOMMRK-VHSXEESVSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H](C)NC(=O)CCc1ccccc1F ZINC001575277508 949751288 /nfs/dbraw/zinc/75/12/88/949751288.db2.gz QOVJCUTXHKJFNX-NWDGAFQWSA-N -1 1 384.419 1.734 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H](C)NC(=O)CCc1ccccc1F ZINC001575277508 949751305 /nfs/dbraw/zinc/75/13/05/949751305.db2.gz QOVJCUTXHKJFNX-NWDGAFQWSA-N -1 1 384.419 1.734 20 0 GDADMM C[C@@H](CC(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1)C(F)(F)F ZINC001574480494 949755278 /nfs/dbraw/zinc/75/52/78/949755278.db2.gz JFDAQYRJCWIRJP-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](CC(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1)C(F)(F)F ZINC001574480494 949755290 /nfs/dbraw/zinc/75/52/90/949755290.db2.gz JFDAQYRJCWIRJP-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001574480868 949757598 /nfs/dbraw/zinc/75/75/98/949757598.db2.gz KUKGEVGCFJEKHX-UONOGXRCSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574480868 949757609 /nfs/dbraw/zinc/75/76/09/949757609.db2.gz KUKGEVGCFJEKHX-UONOGXRCSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001574480861 949759863 /nfs/dbraw/zinc/75/98/63/949759863.db2.gz KSHRSDKFRHBBPA-ZJUUUORDSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001574480861 949759873 /nfs/dbraw/zinc/75/98/73/949759873.db2.gz KSHRSDKFRHBBPA-ZJUUUORDSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@@H]1CCCN(C(=O)Cc2ccccc2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576171460 949765564 /nfs/dbraw/zinc/76/55/64/949765564.db2.gz QVGKHCJVDYLRIF-PBHICJAKSA-N -1 1 392.467 1.938 20 0 GDADMM C[C@@H]1CCCN(C(=O)Cc2ccccc2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576171460 949765573 /nfs/dbraw/zinc/76/55/73/949765573.db2.gz QVGKHCJVDYLRIF-PBHICJAKSA-N -1 1 392.467 1.938 20 0 GDADMM C[C@@H]1CCCN(C(=O)Cc2ccccc2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576171461 949768824 /nfs/dbraw/zinc/76/88/24/949768824.db2.gz QVGKHCJVDYLRIF-RHSMWYFYSA-N -1 1 392.467 1.938 20 0 GDADMM C[C@@H]1CCCN(C(=O)Cc2ccccc2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576171461 949768837 /nfs/dbraw/zinc/76/88/37/949768837.db2.gz QVGKHCJVDYLRIF-RHSMWYFYSA-N -1 1 392.467 1.938 20 0 GDADMM C[C@@H]1CCCN(C(=O)CCC(F)F)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576171509 949768873 /nfs/dbraw/zinc/76/88/73/949768873.db2.gz RNKQKZQFYIPRBD-MNOVXSKESA-N -1 1 380.403 1.163 20 0 GDADMM C[C@H](CN(C)C(=O)CCCC1CCOCC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574718279 949771923 /nfs/dbraw/zinc/77/19/23/949771923.db2.gz UYDPAKDSDAHVAH-CYBMUJFWSA-N -1 1 388.476 1.512 20 0 GDADMM C[C@H](CN(C)C(=O)CCCC1CCOCC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574718279 949771937 /nfs/dbraw/zinc/77/19/37/949771937.db2.gz UYDPAKDSDAHVAH-CYBMUJFWSA-N -1 1 388.476 1.512 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)COC1CCCC1 ZINC001573821334 949772363 /nfs/dbraw/zinc/77/23/63/949772363.db2.gz AIBAKAHFMBAADY-CYBMUJFWSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)COC1CCCC1 ZINC001573821334 949772378 /nfs/dbraw/zinc/77/23/78/949772378.db2.gz AIBAKAHFMBAADY-CYBMUJFWSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@H](C)c1ccncc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574718344 949776334 /nfs/dbraw/zinc/77/63/34/949776334.db2.gz ZZOXHRMZKHRNSH-QWHCGFSZSA-N -1 1 381.444 1.504 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@H](C)c1ccncc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574718344 949776350 /nfs/dbraw/zinc/77/63/50/949776350.db2.gz ZZOXHRMZKHRNSH-QWHCGFSZSA-N -1 1 381.444 1.504 20 0 GDADMM CC1(C(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C23CCC3)CCCC1 ZINC001575560215 949781754 /nfs/dbraw/zinc/78/17/54/949781754.db2.gz MRUJTGSCUNWUFO-OLZOCXBDSA-N -1 1 382.472 1.498 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)c1ccco1 ZINC001574481734 949799090 /nfs/dbraw/zinc/79/90/90/949799090.db2.gz UMXJFEMLNIMKHO-QWHCGFSZSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)c1ccco1 ZINC001574481734 949799099 /nfs/dbraw/zinc/79/90/99/949799099.db2.gz UMXJFEMLNIMKHO-QWHCGFSZSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@H](CN(C)C(=O)CCCc1cccnc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574720626 949799514 /nfs/dbraw/zinc/79/95/14/949799514.db2.gz DWXGEUPPTJJEAW-CYBMUJFWSA-N -1 1 381.444 1.333 20 0 GDADMM C[C@H](CN(C)C(=O)CCCc1cccnc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574720626 949799524 /nfs/dbraw/zinc/79/95/24/949799524.db2.gz DWXGEUPPTJJEAW-CYBMUJFWSA-N -1 1 381.444 1.333 20 0 GDADMM C[C@@H](CNC(=O)c1c(F)cccc1Cl)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574965793 949818126 /nfs/dbraw/zinc/81/81/26/949818126.db2.gz LYHHCGQNTWYJSI-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1c(F)cccc1Cl)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574965793 949818139 /nfs/dbraw/zinc/81/81/39/949818139.db2.gz LYHHCGQNTWYJSI-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1c(F)cccc1Cl)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574965957 949829316 /nfs/dbraw/zinc/82/93/16/949829316.db2.gz PNLQDOUBNYWNAI-QMMMGPOBSA-N -1 1 376.783 1.102 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cccc(=O)[nH]1 ZINC001573823381 949832960 /nfs/dbraw/zinc/83/29/60/949832960.db2.gz VUHKSQSNXYNTTN-GFCCVEGCSA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cccc(=O)[nH]1 ZINC001573823381 949832973 /nfs/dbraw/zinc/83/29/73/949832973.db2.gz VUHKSQSNXYNTTN-GFCCVEGCSA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)(C)C1CC(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001573824487 949850433 /nfs/dbraw/zinc/85/04/33/949850433.db2.gz GMEYVQOFLFKCCS-RUXDESIVSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)C1CC(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001573824487 949850450 /nfs/dbraw/zinc/85/04/50/949850450.db2.gz GMEYVQOFLFKCCS-RUXDESIVSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C(=O)N[C@H]2CC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)CCOCC1 ZINC001575564571 949859878 /nfs/dbraw/zinc/85/98/78/949859878.db2.gz QKZFDADOOUMJCO-STQMWFEESA-N -1 1 386.460 1.170 20 0 GDADMM CC1(C(=O)N[C@H]2CC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)CCOCC1 ZINC001575564571 949859901 /nfs/dbraw/zinc/85/99/01/949859901.db2.gz QKZFDADOOUMJCO-STQMWFEESA-N -1 1 386.460 1.170 20 0 GDADMM C[C@H](CC(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1)n1cccn1 ZINC001574484119 949862218 /nfs/dbraw/zinc/86/22/18/949862218.db2.gz VYHSAWVIYWQNDC-CYBMUJFWSA-N -1 1 386.485 1.420 20 0 GDADMM CC1(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CCC(F)(F)CC1 ZINC001575568507 949893171 /nfs/dbraw/zinc/89/31/71/949893171.db2.gz AAZKZVHQZBDXES-NSHDSACASA-N -1 1 392.414 1.567 20 0 GDADMM CC1(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CCC(F)(F)CC1 ZINC001575568507 949893195 /nfs/dbraw/zinc/89/31/95/949893195.db2.gz AAZKZVHQZBDXES-NSHDSACASA-N -1 1 392.414 1.567 20 0 GDADMM C[C@H](CC(=O)N1CCCO[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)C1CC1 ZINC001574484772 949899481 /nfs/dbraw/zinc/89/94/81/949899481.db2.gz NTOAYKONNGDHCQ-TZMCWYRMSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H](CC(=O)N1CCCO[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001574484772 949899501 /nfs/dbraw/zinc/89/95/01/949899501.db2.gz NTOAYKONNGDHCQ-TZMCWYRMSA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574143984 949900038 /nfs/dbraw/zinc/90/00/38/949900038.db2.gz JVIGAYJMILSAEJ-KBPBESRZSA-N -1 1 388.476 1.193 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(C(F)F)CC2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576179334 949911853 /nfs/dbraw/zinc/91/18/53/949911853.db2.gz KTMLVSAPTQODTH-MNOVXSKESA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(C(F)F)CC2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576179334 949911868 /nfs/dbraw/zinc/91/18/68/949911868.db2.gz KTMLVSAPTQODTH-MNOVXSKESA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H](NC(=O)COC(C)(C)C)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575284751 949917778 /nfs/dbraw/zinc/91/77/78/949917778.db2.gz WKBOWQQWWOLOOA-QWHCGFSZSA-N -1 1 388.476 1.193 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC001574485017 949919577 /nfs/dbraw/zinc/91/95/77/949919577.db2.gz USJZJJGQYQSNRY-QWHCGFSZSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC001574485017 949919600 /nfs/dbraw/zinc/91/96/00/949919600.db2.gz USJZJJGQYQSNRY-QWHCGFSZSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@H](CC(=O)N1CCCC[C@H]1CN(C)c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001574485663 949923676 /nfs/dbraw/zinc/92/36/76/949923676.db2.gz YPKHEUYNBXAVTJ-HIFRSBDPSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](CC(=O)N1CCCC[C@H]1CN(C)c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001574485663 949923696 /nfs/dbraw/zinc/92/36/96/949923696.db2.gz YPKHEUYNBXAVTJ-HIFRSBDPSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](CC(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)C(F)(F)F ZINC001574487665 949931322 /nfs/dbraw/zinc/93/13/22/949931322.db2.gz ASXCBHOVDBGOGH-LDYMZIIASA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](CC(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)C(F)(F)F ZINC001574487665 949931335 /nfs/dbraw/zinc/93/13/35/949931335.db2.gz ASXCBHOVDBGOGH-LDYMZIIASA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)(C)/C=C\C(=O)N[C@]12CCC[C@@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001573828736 949938934 /nfs/dbraw/zinc/93/89/34/949938934.db2.gz TUZRDUKYLJBSBC-RUSRXVSWSA-N -1 1 382.472 1.877 20 0 GDADMM C[C@@H](CN(C)C(=O)COc1ccccc1F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574726865 949945440 /nfs/dbraw/zinc/94/54/40/949945440.db2.gz MAHMZCZFBJNFCT-NSHDSACASA-N -1 1 386.391 1.134 20 0 GDADMM C[C@@H](CN(C)C(=O)COc1ccccc1F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574726865 949945459 /nfs/dbraw/zinc/94/54/59/949945459.db2.gz MAHMZCZFBJNFCT-NSHDSACASA-N -1 1 386.391 1.134 20 0 GDADMM C[C@@H](NC(=O)CN(C)c1ccccc1)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575285897 949964378 /nfs/dbraw/zinc/96/43/78/949964378.db2.gz RQPMIVRVLJCIMW-CHWSQXEVSA-N -1 1 381.444 1.098 20 0 GDADMM C[C@@H](NC(=O)CN(C)c1ccccc1)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575285897 949964393 /nfs/dbraw/zinc/96/43/93/949964393.db2.gz RQPMIVRVLJCIMW-CHWSQXEVSA-N -1 1 381.444 1.098 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ccccc2O)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575891094 949986191 /nfs/dbraw/zinc/98/61/91/949986191.db2.gz DWPTXUUPONKQMP-YPMHNXCESA-N -1 1 380.412 1.150 20 0 GDADMM C[C@H]1CCN(C(=O)C2(C(F)F)CC2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576181079 949990979 /nfs/dbraw/zinc/99/09/79/949990979.db2.gz SAPHJJSBPKJYRA-WDEREUQCSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H]1CCN(C(=O)C2(C(F)F)CC2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576181079 949990989 /nfs/dbraw/zinc/99/09/89/949990989.db2.gz SAPHJJSBPKJYRA-WDEREUQCSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cnco2)[C@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001576181324 949995362 /nfs/dbraw/zinc/99/53/62/949995362.db2.gz LTDLDONRWLFJEV-YPMHNXCESA-N -1 1 383.416 1.388 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cnco2)[C@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001576181324 949995385 /nfs/dbraw/zinc/99/53/85/949995385.db2.gz LTDLDONRWLFJEV-YPMHNXCESA-N -1 1 383.416 1.388 20 0 GDADMM C[C@H](CC(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)c1ccco1 ZINC001574490666 950014222 /nfs/dbraw/zinc/01/42/22/950014222.db2.gz XBLLIQZHKIGSOM-DGCLKSJQSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](CC(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)c1ccco1 ZINC001574490666 950014245 /nfs/dbraw/zinc/01/42/45/950014245.db2.gz XBLLIQZHKIGSOM-DGCLKSJQSA-N -1 1 382.428 1.750 20 0 GDADMM CC1(C(=O)N[C@H]2COC3(CN(Cc4ccc(-c5nn[n-]n5)s4)C3)C2)CCC1 ZINC001575574533 950022979 /nfs/dbraw/zinc/02/29/79/950022979.db2.gz VXLUEVPBQSPYIW-GFCCVEGCSA-N -1 1 388.497 1.578 20 0 GDADMM C[C@H]1CCN(C(=O)Cc2ccoc2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576182006 950027396 /nfs/dbraw/zinc/02/73/96/950027396.db2.gz KHHWSCOOLXKDES-JSGCOSHPSA-N -1 1 382.428 1.389 20 0 GDADMM C[C@H]1CCN(C(=O)Cc2ccoc2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576182006 950027415 /nfs/dbraw/zinc/02/74/15/950027415.db2.gz KHHWSCOOLXKDES-JSGCOSHPSA-N -1 1 382.428 1.389 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2ccc(Cl)o2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575892118 950052172 /nfs/dbraw/zinc/05/21/72/950052172.db2.gz RQQUXCFDSZOTRD-UWVGGRQHSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2ccc(Cl)o2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575892118 950052194 /nfs/dbraw/zinc/05/21/94/950052194.db2.gz RQQUXCFDSZOTRD-UWVGGRQHSA-N -1 1 388.819 1.690 20 0 GDADMM CC1(C(=O)NC[C@H](O)CNc2snc(Cl)c2-c2nnn[n-]2)CCCC1 ZINC001575575529 950054855 /nfs/dbraw/zinc/05/48/55/950054855.db2.gz KEVZSQNFPZLKNT-MRVPVSSYSA-N -1 1 385.881 1.446 20 0 GDADMM CC1(C(=O)NC[C@H](O)CNc2snc(Cl)c2-c2nn[n-]n2)CCCC1 ZINC001575575529 950054876 /nfs/dbraw/zinc/05/48/76/950054876.db2.gz KEVZSQNFPZLKNT-MRVPVSSYSA-N -1 1 385.881 1.446 20 0 GDADMM C[C@@H](CC(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001574492222 950065099 /nfs/dbraw/zinc/06/50/99/950065099.db2.gz LEOJFMGCYDPQME-HSBZDZAISA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](CC(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001574492222 950065122 /nfs/dbraw/zinc/06/51/22/950065122.db2.gz LEOJFMGCYDPQME-HSBZDZAISA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H]1CCN(C(=O)C2(CCF)CC2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576183326 950080807 /nfs/dbraw/zinc/08/08/07/950080807.db2.gz PIGZJVBBHXPMIF-STQMWFEESA-N -1 1 388.451 1.693 20 0 GDADMM C[C@H]1CCN(C(=O)C2(CCF)CC2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576183326 950080826 /nfs/dbraw/zinc/08/08/26/950080826.db2.gz PIGZJVBBHXPMIF-STQMWFEESA-N -1 1 388.451 1.693 20 0 GDADMM C[C@H](CC(=O)NC1CC(CNc2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001574492473 950088765 /nfs/dbraw/zinc/08/87/65/950088765.db2.gz NECIZISTCADIBH-XNWIYYODSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](CC(=O)NC1CC(CNc2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574492473 950088786 /nfs/dbraw/zinc/08/87/86/950088786.db2.gz NECIZISTCADIBH-XNWIYYODSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)C1CCCCC1 ZINC001574492699 950096876 /nfs/dbraw/zinc/09/68/76/950096876.db2.gz OQHBCQROJXGTJT-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)C1CCCCC1 ZINC001574492699 950096896 /nfs/dbraw/zinc/09/68/96/950096896.db2.gz OQHBCQROJXGTJT-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CC(=O)NC1CC(CNc2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001574492668 950098034 /nfs/dbraw/zinc/09/80/34/950098034.db2.gz OGZMIMSJJQZHNO-IYXRBSQSSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](CC(=O)NC1CC(CNc2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574492668 950098056 /nfs/dbraw/zinc/09/80/56/950098056.db2.gz OGZMIMSJJQZHNO-IYXRBSQSSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cccn2C)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576183702 950101110 /nfs/dbraw/zinc/10/11/10/950101110.db2.gz SRIVBZRPMVWEEJ-WFASDCNBSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cccn2C)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576183702 950101117 /nfs/dbraw/zinc/10/11/17/950101117.db2.gz SRIVBZRPMVWEEJ-WFASDCNBSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccc[nH]2)[C@@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576184058 950114001 /nfs/dbraw/zinc/11/40/01/950114001.db2.gz VNPOPCOGGVOWRA-TZMCWYRMSA-N -1 1 381.444 1.150 20 0 GDADMM C[C@H]1CCN(C(=O)C2(CF)CCC2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576184130 950118531 /nfs/dbraw/zinc/11/85/31/950118531.db2.gz UKXVSNWUEIULRL-QWHCGFSZSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@H]1CCN(C(=O)C2(CF)CCC2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576184130 950118540 /nfs/dbraw/zinc/11/85/40/950118540.db2.gz UKXVSNWUEIULRL-QWHCGFSZSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@]1(C)C[C@@H]1c1ccccc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574734412 950132351 /nfs/dbraw/zinc/13/23/51/950132351.db2.gz LWUJZXWCRLQCMW-RCDCFZSISA-N -1 1 392.467 1.531 20 0 GDADMM CC1(C(=O)NCC2=CCN(c3cncc(-c4nnn[n-]4)n3)CC2)CC(F)(F)C1 ZINC001575583212 950142027 /nfs/dbraw/zinc/14/20/27/950142027.db2.gz PLOIVXCJHDBZCS-UHFFFAOYSA-N -1 1 390.398 1.345 20 0 GDADMM CC1(C(=O)NCC2=CCN(c3cncc(-c4nn[n-]n4)n3)CC2)CC(F)(F)C1 ZINC001575583212 950142040 /nfs/dbraw/zinc/14/20/40/950142040.db2.gz PLOIVXCJHDBZCS-UHFFFAOYSA-N -1 1 390.398 1.345 20 0 GDADMM C[C@H]1CCN(C(=O)C2(CF)CCC2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576184921 950145207 /nfs/dbraw/zinc/14/52/07/950145207.db2.gz YENIRUQUPCPNBR-STQMWFEESA-N -1 1 388.451 1.115 20 0 GDADMM C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(C)CCC(=O)[O-] ZINC000262642337 950145914 /nfs/dbraw/zinc/14/59/14/950145914.db2.gz JEYJZJLGOAMKLP-CQSZACIVSA-N -1 1 397.497 1.595 20 0 GDADMM CC(C)(C)CC[C@@H](CO)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC001573842516 950149961 /nfs/dbraw/zinc/14/99/61/950149961.db2.gz FXLXMQQUBBNSGY-JTQLQIEISA-N -1 1 387.893 1.986 20 0 GDADMM CC(C)(C)CC[C@@H](CO)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC001573842516 950149980 /nfs/dbraw/zinc/14/99/80/950149980.db2.gz FXLXMQQUBBNSGY-JTQLQIEISA-N -1 1 387.893 1.986 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H]1CCCOCC1 ZINC001574154090 950166505 /nfs/dbraw/zinc/16/65/05/950166505.db2.gz BDRZSEGGHHOGJZ-KBPBESRZSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H]1CCCOCC1 ZINC001574154090 950166517 /nfs/dbraw/zinc/16/65/17/950166517.db2.gz BDRZSEGGHHOGJZ-KBPBESRZSA-N -1 1 388.476 1.416 20 0 GDADMM CC1(C(=O)NC[C@@H]2[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]32)CCCCC1 ZINC001575584408 950169412 /nfs/dbraw/zinc/16/94/12/950169412.db2.gz QQPKBLHAEDCZIM-ZSOGYDGISA-N -1 1 382.472 1.426 20 0 GDADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)C(C)(F)F ZINC001574154286 950170265 /nfs/dbraw/zinc/17/02/65/950170265.db2.gz CTEHIIXDULYNQG-MNOVXSKESA-N -1 1 382.419 1.313 20 0 GDADMM C[C@@]1(C(=O)NC[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)CC=CCC1 ZINC001575585454 950195294 /nfs/dbraw/zinc/19/52/94/950195294.db2.gz ZNHUGTGEZXXZAQ-AUUYWEPGSA-N -1 1 382.472 1.736 20 0 GDADMM C[C@@]1(C(=O)NC[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)CC=CCC1 ZINC001575585454 950195304 /nfs/dbraw/zinc/19/53/04/950195304.db2.gz ZNHUGTGEZXXZAQ-AUUYWEPGSA-N -1 1 382.472 1.736 20 0 GDADMM C[C@@H](CN(C)C(=O)c1[nH]cnc1C(C)(C)C)Nc1nccnc1-c1nnn[n-]1 ZINC001574740749 950228644 /nfs/dbraw/zinc/22/86/44/950228644.db2.gz FWXKVPLUHNAIII-JTQLQIEISA-N -1 1 384.448 1.250 20 0 GDADMM C[C@@H](CN(C)C(=O)c1[nH]cnc1C(C)(C)C)Nc1nccnc1-c1nn[n-]n1 ZINC001574740749 950228659 /nfs/dbraw/zinc/22/86/59/950228659.db2.gz FWXKVPLUHNAIII-JTQLQIEISA-N -1 1 384.448 1.250 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccn(C)c2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576192283 950238760 /nfs/dbraw/zinc/23/87/60/950238760.db2.gz LRTHRXIRYNRRSL-TZMCWYRMSA-N -1 1 381.444 1.206 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccn(C)c2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576192283 950238775 /nfs/dbraw/zinc/23/87/75/950238775.db2.gz LRTHRXIRYNRRSL-TZMCWYRMSA-N -1 1 381.444 1.206 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cc(Cl)c[nH]1 ZINC001574157564 950239861 /nfs/dbraw/zinc/23/98/61/950239861.db2.gz CZOHOLDPKDIKMC-NSHDSACASA-N -1 1 389.851 1.895 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cc(Cl)c[nH]1 ZINC001574157564 950239874 /nfs/dbraw/zinc/23/98/74/950239874.db2.gz CZOHOLDPKDIKMC-NSHDSACASA-N -1 1 389.851 1.895 20 0 GDADMM C[C@@H](CC(=O)NC[C@@]1(C)CCCN(c2nccnc2-c2nnn[n-]2)C1)C1CC1 ZINC001574497843 950247236 /nfs/dbraw/zinc/24/72/36/950247236.db2.gz DZUWTRKIGVEBIM-ORAYPTAESA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](CC(=O)NC[C@@]1(C)CCCN(c2nccnc2-c2nn[n-]n2)C1)C1CC1 ZINC001574497843 950247254 /nfs/dbraw/zinc/24/72/54/950247254.db2.gz DZUWTRKIGVEBIM-ORAYPTAESA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C1(CF)CCC1 ZINC001574157596 950247908 /nfs/dbraw/zinc/24/79/08/950247908.db2.gz DRYXFSNLWCCNPG-LBPRGKRZSA-N -1 1 376.440 1.739 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C1(CF)CCC1 ZINC001574157596 950247923 /nfs/dbraw/zinc/24/79/23/950247923.db2.gz DRYXFSNLWCCNPG-LBPRGKRZSA-N -1 1 376.440 1.739 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1)c1ccccc1 ZINC001574498902 950288884 /nfs/dbraw/zinc/28/88/84/950288884.db2.gz QYRIXPWHLOSRCW-ZDUSSCGKSA-N -1 1 378.440 1.911 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1)c1ccccc1 ZINC001574498902 950288900 /nfs/dbraw/zinc/28/89/00/950288900.db2.gz QYRIXPWHLOSRCW-ZDUSSCGKSA-N -1 1 378.440 1.911 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C1(CCF)CC1 ZINC001574159383 950304077 /nfs/dbraw/zinc/30/40/77/950304077.db2.gz GRRGZRDSNHQNGP-GFCCVEGCSA-N -1 1 376.440 1.739 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C1(CCF)CC1 ZINC001574159383 950304103 /nfs/dbraw/zinc/30/41/03/950304103.db2.gz GRRGZRDSNHQNGP-GFCCVEGCSA-N -1 1 376.440 1.739 20 0 GDADMM C[C@@H](CC(=O)NCC1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001574499977 950310712 /nfs/dbraw/zinc/31/07/12/950310712.db2.gz XSNFZOVLTREXNJ-IDKOKCKLSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](CC(=O)NCC1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001574499977 950310734 /nfs/dbraw/zinc/31/07/34/950310734.db2.gz XSNFZOVLTREXNJ-IDKOKCKLSA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)(C)OC(=O)N1CCC(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001573852693 950313969 /nfs/dbraw/zinc/31/39/69/950313969.db2.gz IOXRFKITCBIWMD-UHFFFAOYSA-N -1 1 387.444 1.525 20 0 GDADMM CC(C)(C)OC(=O)N1CCC(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001573852693 950313991 /nfs/dbraw/zinc/31/39/91/950313991.db2.gz IOXRFKITCBIWMD-UHFFFAOYSA-N -1 1 387.444 1.525 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)[C@H](F)C1 ZINC001573853712 950329785 /nfs/dbraw/zinc/32/97/85/950329785.db2.gz UBWBIPGUSVZAFN-NEPJUHHUSA-N -1 1 391.407 1.339 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)[C@H](F)C1 ZINC001573853712 950329807 /nfs/dbraw/zinc/32/98/07/950329807.db2.gz UBWBIPGUSVZAFN-NEPJUHHUSA-N -1 1 391.407 1.339 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001574160141 950332411 /nfs/dbraw/zinc/33/24/11/950332411.db2.gz LTEURWCEOHJLIU-BFHYXJOUSA-N -1 1 396.455 1.996 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001574160141 950332440 /nfs/dbraw/zinc/33/24/40/950332440.db2.gz LTEURWCEOHJLIU-BFHYXJOUSA-N -1 1 396.455 1.996 20 0 GDADMM CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)NCc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001573854268 950341456 /nfs/dbraw/zinc/34/14/56/950341456.db2.gz YJMRVIQUUMOYJB-GFCCVEGCSA-N -1 1 385.428 1.135 20 0 GDADMM CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)NCc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001573854268 950341477 /nfs/dbraw/zinc/34/14/77/950341477.db2.gz YJMRVIQUUMOYJB-GFCCVEGCSA-N -1 1 385.428 1.135 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@@H]2C(=O)Nc2n[nH]cc2-c2nnn[n-]2)C1 ZINC001573854299 950343164 /nfs/dbraw/zinc/34/31/64/950343164.db2.gz ZLRMCYDKKWJCAC-PIGZYNQJSA-N -1 1 388.432 1.566 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@@H]2C(=O)Nc2n[nH]cc2-c2nn[n-]n2)C1 ZINC001573854299 950343185 /nfs/dbraw/zinc/34/31/85/950343185.db2.gz ZLRMCYDKKWJCAC-PIGZYNQJSA-N -1 1 388.432 1.566 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CC[C@@H]1CCCO1 ZINC001574160600 950343080 /nfs/dbraw/zinc/34/30/80/950343080.db2.gz OXYLAOJYXLKMIB-KGLIPLIRSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CC[C@@H]1CCCO1 ZINC001574160600 950343101 /nfs/dbraw/zinc/34/31/01/950343101.db2.gz OXYLAOJYXLKMIB-KGLIPLIRSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CCCOCC1 ZINC001574161255 950353580 /nfs/dbraw/zinc/35/35/80/950353580.db2.gz SDRDPKXUZUNYPQ-ZIAGYGMSSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCCOCC1 ZINC001574161255 950353597 /nfs/dbraw/zinc/35/35/97/950353597.db2.gz SDRDPKXUZUNYPQ-ZIAGYGMSSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1csc(=O)[nH]1 ZINC001574161565 950364608 /nfs/dbraw/zinc/36/46/08/950364608.db2.gz WFUBFNGOHQLFTD-SECBINFHSA-N -1 1 389.445 1.075 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1csc(=O)[nH]1 ZINC001574161565 950364627 /nfs/dbraw/zinc/36/46/27/950364627.db2.gz WFUBFNGOHQLFTD-SECBINFHSA-N -1 1 389.445 1.075 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CCC1(F)F ZINC001574162127 950381823 /nfs/dbraw/zinc/38/18/23/950381823.db2.gz ZMLUCQNEQKATSN-QWRGUYRKSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCC1(F)F ZINC001574162127 950381854 /nfs/dbraw/zinc/38/18/54/950381854.db2.gz ZMLUCQNEQKATSN-QWRGUYRKSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CC[C@@H]1CCCO1 ZINC001574162538 950385146 /nfs/dbraw/zinc/38/51/46/950385146.db2.gz CTBZSQGBVHQOMX-KBPBESRZSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CC[C@@H]1CCCO1 ZINC001574162538 950385166 /nfs/dbraw/zinc/38/51/66/950385166.db2.gz CTBZSQGBVHQOMX-KBPBESRZSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)CC1(C(=O)N(CCO)CCNc2cnc(-c3nnn[n-]3)cn2)CCC1 ZINC001574162600 950388859 /nfs/dbraw/zinc/38/88/59/950388859.db2.gz FHGWMKALLQEZBG-UHFFFAOYSA-N -1 1 388.476 1.106 20 0 GDADMM CC(C)CC1(C(=O)N(CCO)CCNc2cnc(-c3nn[n-]n3)cn2)CCC1 ZINC001574162600 950388876 /nfs/dbraw/zinc/38/88/76/950388876.db2.gz FHGWMKALLQEZBG-UHFFFAOYSA-N -1 1 388.476 1.106 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@H](CC(=O)NCc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001573856520 950390506 /nfs/dbraw/zinc/39/05/06/950390506.db2.gz BJJZXYYRUYJBTH-CYBMUJFWSA-N -1 1 387.444 1.525 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@H](CC(=O)NCc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001573856520 950390522 /nfs/dbraw/zinc/39/05/22/950390522.db2.gz BJJZXYYRUYJBTH-CYBMUJFWSA-N -1 1 387.444 1.525 20 0 GDADMM CC(C)(C)OC(=O)N1C[C@@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)CO1 ZINC001573856718 950392675 /nfs/dbraw/zinc/39/26/75/950392675.db2.gz GTFMLIIAOCJTLE-SNVBAGLBSA-N -1 1 384.400 1.773 20 0 GDADMM CC(C)(C)OC(=O)N1C[C@@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)CO1 ZINC001573856718 950392693 /nfs/dbraw/zinc/39/26/93/950392693.db2.gz GTFMLIIAOCJTLE-SNVBAGLBSA-N -1 1 384.400 1.773 20 0 GDADMM CC1(C(=O)NC[C@H]2Cc3ccccc3CN2c2nccnc2-c2nnn[n-]2)CC1 ZINC001575597072 950399757 /nfs/dbraw/zinc/39/97/57/950399757.db2.gz XIZMGIRLONQXNH-OAHLLOKOSA-N -1 1 390.451 1.504 20 0 GDADMM CC1(C(=O)NC[C@H]2Cc3ccccc3CN2c2nccnc2-c2nn[n-]n2)CC1 ZINC001575597072 950399775 /nfs/dbraw/zinc/39/97/75/950399775.db2.gz XIZMGIRLONQXNH-OAHLLOKOSA-N -1 1 390.451 1.504 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574503111 950403299 /nfs/dbraw/zinc/40/32/99/950403299.db2.gz UASPVRUIVONZPO-CABCVRRESA-N -1 1 392.467 1.793 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)Cc1ccccc1 ZINC001574163441 950426912 /nfs/dbraw/zinc/42/69/12/950426912.db2.gz UUIYTKVFKXXSHK-HNNXBMFYSA-N -1 1 380.456 1.842 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)Cc1ccccc1 ZINC001574163441 950426920 /nfs/dbraw/zinc/42/69/20/950426920.db2.gz UUIYTKVFKXXSHK-HNNXBMFYSA-N -1 1 380.456 1.842 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001574506494 950435807 /nfs/dbraw/zinc/43/58/07/950435807.db2.gz FMCOPDFWWZHJQC-JHJVBQTASA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001574506494 950435828 /nfs/dbraw/zinc/43/58/28/950435828.db2.gz FMCOPDFWWZHJQC-JHJVBQTASA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc2c([nH]1)CCCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574750697 950440064 /nfs/dbraw/zinc/44/00/64/950440064.db2.gz GBSVEZJHKUAYJE-LLVKDONJSA-N -1 1 381.444 1.436 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc2c([nH]1)CCCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574750697 950440080 /nfs/dbraw/zinc/44/00/80/950440080.db2.gz GBSVEZJHKUAYJE-LLVKDONJSA-N -1 1 381.444 1.436 20 0 GDADMM CC(C)CC1(C(=O)NC[C@H](O)CNc2cncc(-c3nnn[n-]3)n2)CCCC1 ZINC001574166175 950461444 /nfs/dbraw/zinc/46/14/44/950461444.db2.gz OZJYAMHOLPMITE-CYBMUJFWSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)CC1(C(=O)NC[C@H](O)CNc2cncc(-c3nn[n-]n3)n2)CCCC1 ZINC001574166175 950461459 /nfs/dbraw/zinc/46/14/59/950461459.db2.gz OZJYAMHOLPMITE-CYBMUJFWSA-N -1 1 388.476 1.152 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001574508512 950480709 /nfs/dbraw/zinc/48/07/09/950480709.db2.gz PCAKWOAXRPTFSS-OPRDCNLKSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001574508512 950480721 /nfs/dbraw/zinc/48/07/21/950480721.db2.gz PCAKWOAXRPTFSS-OPRDCNLKSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](CC(=O)NCCN(c1nccnc1-c1nnn[n-]1)C1CC1)n1cccc1 ZINC001574508683 950483867 /nfs/dbraw/zinc/48/38/67/950483867.db2.gz MCDDANGXAQVMQK-CYBMUJFWSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](CC(=O)NCCN(c1nccnc1-c1nn[n-]n1)C1CC1)n1cccc1 ZINC001574508683 950483884 /nfs/dbraw/zinc/48/38/84/950483884.db2.gz MCDDANGXAQVMQK-CYBMUJFWSA-N -1 1 381.444 1.195 20 0 GDADMM CC1(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CCC(F)(F)CC1 ZINC001575607106 950503749 /nfs/dbraw/zinc/50/37/49/950503749.db2.gz HNLIJWYJTDKGST-PHIMTYICSA-N -1 1 392.414 1.931 20 0 GDADMM CC1(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CCC(F)(F)CC1 ZINC001575607106 950503774 /nfs/dbraw/zinc/50/37/74/950503774.db2.gz HNLIJWYJTDKGST-PHIMTYICSA-N -1 1 392.414 1.931 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc(C(F)F)o1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574753149 950509777 /nfs/dbraw/zinc/50/97/77/950509777.db2.gz ITYNYVTXWXTQAL-QMMMGPOBSA-N -1 1 378.343 1.760 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc(C(F)F)o1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574753149 950509796 /nfs/dbraw/zinc/50/97/96/950509796.db2.gz ITYNYVTXWXTQAL-QMMMGPOBSA-N -1 1 378.343 1.760 20 0 GDADMM CC(C)(C)OCC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001573866881 950515096 /nfs/dbraw/zinc/51/50/96/950515096.db2.gz MWIFKESMMXCJDY-OLZOCXBDSA-N -1 1 386.460 1.042 20 0 GDADMM CC(C)(C)OCC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001573866881 950515114 /nfs/dbraw/zinc/51/51/14/950515114.db2.gz MWIFKESMMXCJDY-OLZOCXBDSA-N -1 1 386.460 1.042 20 0 GDADMM CC(C)(C)OCC(=O)N1CCC[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573866925 950517018 /nfs/dbraw/zinc/51/70/18/950517018.db2.gz NSJRPYAGVWJRGT-CYBMUJFWSA-N -1 1 388.476 1.512 20 0 GDADMM CC(C)(C)OCC(=O)N1CCC[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573866925 950517041 /nfs/dbraw/zinc/51/70/41/950517041.db2.gz NSJRPYAGVWJRGT-CYBMUJFWSA-N -1 1 388.476 1.512 20 0 GDADMM CC(C)(C)OCC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001573867162 950523519 /nfs/dbraw/zinc/52/35/19/950523519.db2.gz RIQPAVMQACSMRI-OLZOCXBDSA-N -1 1 386.460 1.042 20 0 GDADMM CC(C)(C)OCC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001573867162 950523540 /nfs/dbraw/zinc/52/35/40/950523540.db2.gz RIQPAVMQACSMRI-OLZOCXBDSA-N -1 1 386.460 1.042 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001574509872 950536204 /nfs/dbraw/zinc/53/62/04/950536204.db2.gz ZZDDYKZIDQZASI-MGPQQGTHSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001574509872 950536222 /nfs/dbraw/zinc/53/62/22/950536222.db2.gz ZZDDYKZIDQZASI-MGPQQGTHSA-N -1 1 381.444 1.416 20 0 GDADMM CC(C)CCC(=O)N1CC[C@]2(C1)CCCN(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001574170364 950539005 /nfs/dbraw/zinc/53/90/05/950539005.db2.gz HBCFEJLWWNBVBK-LJQANCHMSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)CCC(=O)N1CC[C@]2(C1)CCCN(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001574170364 950539021 /nfs/dbraw/zinc/53/90/21/950539021.db2.gz HBCFEJLWWNBVBK-LJQANCHMSA-N -1 1 384.488 1.912 20 0 GDADMM CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nnn[n-]2)CCCCC1 ZINC001575614583 950541658 /nfs/dbraw/zinc/54/16/58/950541658.db2.gz JAADLTHVWWXYTG-RDBSUJKOSA-N -1 1 382.472 1.853 20 0 GDADMM CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nn[n-]n2)CCCCC1 ZINC001575614583 950541678 /nfs/dbraw/zinc/54/16/78/950541678.db2.gz JAADLTHVWWXYTG-RDBSUJKOSA-N -1 1 382.472 1.853 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc2cnccc2c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574753875 950550739 /nfs/dbraw/zinc/55/07/39/950550739.db2.gz UPTZPDCVDBSSNR-LBPRGKRZSA-N -1 1 389.423 1.778 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc2cnccc2c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574753875 950550751 /nfs/dbraw/zinc/55/07/51/950550751.db2.gz UPTZPDCVDBSSNR-LBPRGKRZSA-N -1 1 389.423 1.778 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573869094 950553588 /nfs/dbraw/zinc/55/35/88/950553588.db2.gz JNWVWUXUVWGCGX-QMMMGPOBSA-N -1 1 385.881 1.487 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573869094 950553603 /nfs/dbraw/zinc/55/36/03/950553603.db2.gz JNWVWUXUVWGCGX-QMMMGPOBSA-N -1 1 385.881 1.487 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)Cc1ccc(F)cc1 ZINC001575917157 950561566 /nfs/dbraw/zinc/56/15/66/950561566.db2.gz UYFKSWKSXZRGSZ-FZMZJTMJSA-N -1 1 382.403 1.440 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)Cc1ccc(F)cc1 ZINC001575917157 950561574 /nfs/dbraw/zinc/56/15/74/950561574.db2.gz UYFKSWKSXZRGSZ-FZMZJTMJSA-N -1 1 382.403 1.440 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@H]1CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001573869254 950562952 /nfs/dbraw/zinc/56/29/52/950562952.db2.gz NDBKMQJNTDHXIA-QWHCGFSZSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@H]1CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001573869254 950562960 /nfs/dbraw/zinc/56/29/60/950562960.db2.gz NDBKMQJNTDHXIA-QWHCGFSZSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)cn1C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574999500 950585674 /nfs/dbraw/zinc/58/56/74/950585674.db2.gz KSLKTINFJPDUHU-VIFPVBQESA-N -1 1 375.824 1.127 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)cn1C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574999500 950585693 /nfs/dbraw/zinc/58/56/93/950585693.db2.gz KSLKTINFJPDUHU-VIFPVBQESA-N -1 1 375.824 1.127 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1 ZINC001575616620 950589025 /nfs/dbraw/zinc/58/90/25/950589025.db2.gz SQADBJGGOKQWRH-RYUDHWBXSA-N -1 1 382.472 1.519 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1 ZINC001575616620 950589044 /nfs/dbraw/zinc/58/90/44/950589044.db2.gz SQADBJGGOKQWRH-RYUDHWBXSA-N -1 1 382.472 1.519 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)c[nH]1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575001322 950630892 /nfs/dbraw/zinc/63/08/92/950630892.db2.gz KDZYKPJQCLGBNW-ZCFIWIBFSA-N -1 1 384.828 1.922 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)c[nH]1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575001322 950630913 /nfs/dbraw/zinc/63/09/13/950630913.db2.gz KDZYKPJQCLGBNW-ZCFIWIBFSA-N -1 1 384.828 1.922 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)cs1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575001340 950631628 /nfs/dbraw/zinc/63/16/28/950631628.db2.gz KQRXNKFMXHTOMD-QMMMGPOBSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)cs1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575001340 950631639 /nfs/dbraw/zinc/63/16/39/950631639.db2.gz KQRXNKFMXHTOMD-QMMMGPOBSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)cs1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575001481 950631700 /nfs/dbraw/zinc/63/17/00/950631700.db2.gz LHBOIAORNSPICA-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1coc(C(F)F)c1 ZINC001575921323 950637917 /nfs/dbraw/zinc/63/79/17/950637917.db2.gz NKGWVAHWSNRRCJ-SCZZXKLOSA-N -1 1 390.354 1.324 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)ccc1F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575001594 950641205 /nfs/dbraw/zinc/64/12/05/950641205.db2.gz WFYQAHFJGOJRIQ-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)ccc1F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575001594 950641224 /nfs/dbraw/zinc/64/12/24/950641224.db2.gz WFYQAHFJGOJRIQ-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ccncc1 ZINC001574517010 950643396 /nfs/dbraw/zinc/64/33/96/950643396.db2.gz KPHMIGNZXMRNLY-UBHSHLNASA-N -1 1 379.428 1.305 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ccncc1 ZINC001574517010 950643410 /nfs/dbraw/zinc/64/34/10/950643410.db2.gz KPHMIGNZXMRNLY-UBHSHLNASA-N -1 1 379.428 1.305 20 0 GDADMM CCN1CCN(c2ccc(CNC(=O)N3C[C@H](C)C[C@H](C(=O)[O-])C3)cn2)CC1 ZINC001589744233 950646046 /nfs/dbraw/zinc/64/60/46/950646046.db2.gz IWXCLQNMPNIZBM-WBVHZDCISA-N -1 1 389.500 1.476 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)cc(Cl)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575002356 950657986 /nfs/dbraw/zinc/65/79/86/950657986.db2.gz SYNGWVYKUHJWAQ-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)cc(Cl)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575002356 950658006 /nfs/dbraw/zinc/65/80/06/950658006.db2.gz SYNGWVYKUHJWAQ-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccncc1Cl ZINC001575924007 950666272 /nfs/dbraw/zinc/66/62/72/950666272.db2.gz RHKGXBAERXEFMK-JOYOIKCWSA-N -1 1 385.819 1.420 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccncc1Cl ZINC001575924007 950666288 /nfs/dbraw/zinc/66/62/88/950666288.db2.gz RHKGXBAERXEFMK-JOYOIKCWSA-N -1 1 385.819 1.420 20 0 GDADMM CC(C)CCC(=O)N[C@@H]1CC[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@H]2C1 ZINC001574176099 950670826 /nfs/dbraw/zinc/67/08/26/950670826.db2.gz UHCMSCQCQFAASM-QLFBSQMISA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C2CCC1(C(=O)N1CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C1)CC2 ZINC001575624903 950679013 /nfs/dbraw/zinc/67/90/13/950679013.db2.gz QGWZXVKNGSDHCE-FWHMADFJSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(C)C2CCC1(C(=O)N1CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C1)CC2 ZINC001575624903 950679022 /nfs/dbraw/zinc/67/90/22/950679022.db2.gz QGWZXVKNGSDHCE-FWHMADFJSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccccc1 ZINC001574519646 950689533 /nfs/dbraw/zinc/68/95/33/950689533.db2.gz XIKKZDOUANBOLJ-BPLDGKMQSA-N -1 1 378.440 1.910 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccccc1 ZINC001574519646 950689543 /nfs/dbraw/zinc/68/95/43/950689543.db2.gz XIKKZDOUANBOLJ-BPLDGKMQSA-N -1 1 378.440 1.910 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc2c(c1)CCC2 ZINC001575925822 950692431 /nfs/dbraw/zinc/69/24/31/950692431.db2.gz VBOOAOYTLCZZDD-WBMJQRKESA-N -1 1 390.451 1.282 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NCC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573878223 950700543 /nfs/dbraw/zinc/70/05/43/950700543.db2.gz LFYHJAJTVJJUOQ-BFHYXJOUSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NCC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573878223 950700563 /nfs/dbraw/zinc/70/05/63/950700563.db2.gz LFYHJAJTVJJUOQ-BFHYXJOUSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)n1nccc1C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)[C@@H]1C ZINC001575926339 950710493 /nfs/dbraw/zinc/71/04/93/950710493.db2.gz JJGZZWJVQOVKFW-NWDGAFQWSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1nccc1C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)[C@@H]1C ZINC001575926339 950710511 /nfs/dbraw/zinc/71/05/11/950710511.db2.gz JJGZZWJVQOVKFW-NWDGAFQWSA-N -1 1 382.432 1.149 20 0 GDADMM CC1(C)[C@H](NC(=O)CC2CC2)[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)[C@@H]21 ZINC001575626463 950711920 /nfs/dbraw/zinc/71/19/20/950711920.db2.gz ZPABQARPNOFGEE-WQVCFCJDSA-N -1 1 382.472 1.566 20 0 GDADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CC(C1CC1)C1CC1 ZINC001575926538 950712190 /nfs/dbraw/zinc/71/21/90/950712190.db2.gz XNPJZVLXRNRURY-NHYWBVRUSA-N -1 1 382.472 1.306 20 0 GDADMM CC(C)(C)c1cc(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)no1 ZINC001573879888 950730774 /nfs/dbraw/zinc/73/07/74/950730774.db2.gz NNACZDDBUXUNIZ-AOOOYVTPSA-N -1 1 383.416 1.315 20 0 GDADMM CC(C)(C)c1cc(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)no1 ZINC001573879888 950730785 /nfs/dbraw/zinc/73/07/85/950730785.db2.gz NNACZDDBUXUNIZ-AOOOYVTPSA-N -1 1 383.416 1.315 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ncoc1C1CC1 ZINC001575927365 950743306 /nfs/dbraw/zinc/74/33/06/950743306.db2.gz PKMBCPZVMAPRNX-ONGXEEELSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ncoc1C1CC1 ZINC001575927365 950743318 /nfs/dbraw/zinc/74/33/18/950743318.db2.gz PKMBCPZVMAPRNX-ONGXEEELSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001575927670 950752000 /nfs/dbraw/zinc/75/20/00/950752000.db2.gz RWNNXVBDQWMHKW-PRDIBSGMSA-N -1 1 380.456 1.350 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001575927670 950752019 /nfs/dbraw/zinc/75/20/19/950752019.db2.gz RWNNXVBDQWMHKW-PRDIBSGMSA-N -1 1 380.456 1.350 20 0 GDADMM CC1(C)CC(C(=O)NC[C@@]2(C)CCCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001575629968 950753166 /nfs/dbraw/zinc/75/31/66/950753166.db2.gz WXJDSSQNGOYTBZ-LJQANCHMSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C)CC(C(=O)NC[C@@]2(C)CCCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001575629968 950753180 /nfs/dbraw/zinc/75/31/80/950753180.db2.gz WXJDSSQNGOYTBZ-LJQANCHMSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](CN(C)C(=O)c1coc(C2CCC2)n1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574765015 950770916 /nfs/dbraw/zinc/77/09/16/950770916.db2.gz BSJVZFXZPORJSM-SNVBAGLBSA-N -1 1 383.416 1.485 20 0 GDADMM C[C@H](CN(C)C(=O)c1coc(C2CCC2)n1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574765015 950770930 /nfs/dbraw/zinc/77/09/30/950770930.db2.gz BSJVZFXZPORJSM-SNVBAGLBSA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)n1cccc1C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)[C@H]1C ZINC001575929498 950788302 /nfs/dbraw/zinc/78/83/02/950788302.db2.gz CDYMFSSJRBAVBS-OLZOCXBDSA-N -1 1 381.444 1.754 20 0 GDADMM CC(C)n1cccc1C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)[C@H]1C ZINC001575929498 950788312 /nfs/dbraw/zinc/78/83/12/950788312.db2.gz CDYMFSSJRBAVBS-OLZOCXBDSA-N -1 1 381.444 1.754 20 0 GDADMM CC1(C)CC(CC(=O)N[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CC2(C)C)C1 ZINC001575632128 950788607 /nfs/dbraw/zinc/78/86/07/950788607.db2.gz BFFGAMKONKPQCG-AWEZNQCLSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)CC(CC(=O)N[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CC2(C)C)C1 ZINC001575632128 950788633 /nfs/dbraw/zinc/78/86/33/950788633.db2.gz BFFGAMKONKPQCG-AWEZNQCLSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)c1nc[nH]c1C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573884634 950800505 /nfs/dbraw/zinc/80/05/05/950800505.db2.gz HBRWHWARPMWHSL-MGCOHNPYSA-N -1 1 382.432 1.050 20 0 GDADMM CC(C)(C)c1nc[nH]c1C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573884634 950800535 /nfs/dbraw/zinc/80/05/35/950800535.db2.gz HBRWHWARPMWHSL-MGCOHNPYSA-N -1 1 382.432 1.050 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576219466 950804381 /nfs/dbraw/zinc/80/43/81/950804381.db2.gz NVSLHFXILMBPOK-ZJUUUORDSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576219466 950804401 /nfs/dbraw/zinc/80/44/01/950804401.db2.gz NVSLHFXILMBPOK-ZJUUUORDSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@H]1[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCN1C(=O)Cc1ccc[nH]1 ZINC001575931604 950813101 /nfs/dbraw/zinc/81/31/01/950813101.db2.gz IYWVPIIRNVOGLC-WPRPVWTQSA-N -1 1 392.876 1.949 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccc(F)c(F)c1 ZINC001575931951 950815443 /nfs/dbraw/zinc/81/54/43/950815443.db2.gz KBFXUSIQWXJMRM-ZANVPECISA-N -1 1 386.366 1.650 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(F)c(F)c1 ZINC001575931951 950815462 /nfs/dbraw/zinc/81/54/62/950815462.db2.gz KBFXUSIQWXJMRM-ZANVPECISA-N -1 1 386.366 1.650 20 0 GDADMM CC(C)CCCC(=O)N1CCO[C@H]([C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574186654 950816684 /nfs/dbraw/zinc/81/66/84/950816684.db2.gz HRVNYIGMJYFHGO-HIFRSBDPSA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)CCCC(=O)N1CCO[C@H]([C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574186654 950816694 /nfs/dbraw/zinc/81/66/94/950816694.db2.gz HRVNYIGMJYFHGO-HIFRSBDPSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CCC2)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576220087 950822001 /nfs/dbraw/zinc/82/20/01/950822001.db2.gz QIFIHFNYNRTSML-WDEREUQCSA-N -1 1 392.414 1.163 20 0 GDADMM C[C@@H](CN(C)C(=O)c1noc2c1CCCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001574767223 950844655 /nfs/dbraw/zinc/84/46/55/950844655.db2.gz NHNJXQNDGSEMND-JTQLQIEISA-N -1 1 383.416 1.096 20 0 GDADMM C[C@@H](CN(C)C(=O)c1noc2c1CCCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001574767223 950844671 /nfs/dbraw/zinc/84/46/71/950844671.db2.gz NHNJXQNDGSEMND-JTQLQIEISA-N -1 1 383.416 1.096 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576221216 950845403 /nfs/dbraw/zinc/84/54/03/950845403.db2.gz VBIUFGYNCQYNTC-VHSXEESVSA-N -1 1 378.387 1.208 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576221216 950845422 /nfs/dbraw/zinc/84/54/22/950845422.db2.gz VBIUFGYNCQYNTC-VHSXEESVSA-N -1 1 378.387 1.208 20 0 GDADMM C[C@H](CN(C)C(=O)c1ncoc1C(C)(C)C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574767465 950852129 /nfs/dbraw/zinc/85/21/29/950852129.db2.gz OTYVUPGHWRVZHL-SNVBAGLBSA-N -1 1 385.432 1.515 20 0 GDADMM C[C@H](CN(C)C(=O)c1ncoc1C(C)(C)C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574767465 950852150 /nfs/dbraw/zinc/85/21/50/950852150.db2.gz OTYVUPGHWRVZHL-SNVBAGLBSA-N -1 1 385.432 1.515 20 0 GDADMM CC1(C)C[C@@H](NC(=O)C2=CCCC2)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575639346 950865181 /nfs/dbraw/zinc/86/51/81/950865181.db2.gz RHGCTGGAOZAZKH-AWEZNQCLSA-N -1 1 382.472 1.878 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1nc(Cl)cs1 ZINC001575934987 950867172 /nfs/dbraw/zinc/86/71/72/950867172.db2.gz UFTBCKIRHPEFHV-JGVFFNPUSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1nc(Cl)cs1 ZINC001575934987 950867190 /nfs/dbraw/zinc/86/71/90/950867190.db2.gz UFTBCKIRHPEFHV-JGVFFNPUSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cc(C2CC2)on1 ZINC001575935441 950879665 /nfs/dbraw/zinc/87/96/65/950879665.db2.gz WLLUPCDQJQUVAF-GXSJLCMTSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(C2CC2)on1 ZINC001575935441 950879683 /nfs/dbraw/zinc/87/96/83/950879683.db2.gz WLLUPCDQJQUVAF-GXSJLCMTSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@H](CN(C)C(=O)c1scnc1C1CC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574768301 950885211 /nfs/dbraw/zinc/88/52/11/950885211.db2.gz UBEWSOJKGJVVNN-SECBINFHSA-N -1 1 385.457 1.563 20 0 GDADMM C[C@H](CN(C)C(=O)c1scnc1C1CC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574768301 950885229 /nfs/dbraw/zinc/88/52/29/950885229.db2.gz UBEWSOJKGJVVNN-SECBINFHSA-N -1 1 385.457 1.563 20 0 GDADMM CC(C)(CC(=O)N1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)(C)C1)C1CC1 ZINC001573893574 950889150 /nfs/dbraw/zinc/88/91/50/950889150.db2.gz LKNABIYTSQKMBX-ZDUSSCGKSA-N -1 1 384.488 1.554 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1occ2c1CCC2 ZINC001575935927 950904213 /nfs/dbraw/zinc/90/42/13/950904213.db2.gz CCVJUXVMMRKFDY-MFKMUULPSA-N -1 1 380.412 1.454 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1occ2c1CCC2 ZINC001575935927 950904228 /nfs/dbraw/zinc/90/42/28/950904228.db2.gz CCVJUXVMMRKFDY-MFKMUULPSA-N -1 1 380.412 1.454 20 0 GDADMM C[C@@H]1CN(C(=O)C2Cc3ccccc3C2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576228069 950927963 /nfs/dbraw/zinc/92/79/63/950927963.db2.gz IQMFTDPLZWNJKQ-PXAZEXFGSA-N -1 1 390.451 1.331 20 0 GDADMM C[C@@H]1CN(C(=O)C2Cc3ccccc3C2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576228069 950927978 /nfs/dbraw/zinc/92/79/78/950927978.db2.gz IQMFTDPLZWNJKQ-PXAZEXFGSA-N -1 1 390.451 1.331 20 0 GDADMM C[C@@H]1[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCN1C(=O)Cc1ccc[nH]1 ZINC001575937109 950938507 /nfs/dbraw/zinc/93/85/07/950938507.db2.gz JFCISUKOVPYKNT-PSASIEDQSA-N -1 1 392.876 1.949 20 0 GDADMM C[C@@H]1[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCN1C(=O)Cc1ccc[nH]1 ZINC001575937109 950938527 /nfs/dbraw/zinc/93/85/27/950938527.db2.gz JFCISUKOVPYKNT-PSASIEDQSA-N -1 1 392.876 1.949 20 0 GDADMM CC(C)(CC(=O)NC[C@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001573895578 950944284 /nfs/dbraw/zinc/94/42/84/950944284.db2.gz DHBQQSIWXKZGIM-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(CC(=O)NC[C@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001573895578 950944293 /nfs/dbraw/zinc/94/42/93/950944293.db2.gz DHBQQSIWXKZGIM-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)C[C@H]1C(=O)N1CCC2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001575642490 950944666 /nfs/dbraw/zinc/94/46/66/950944666.db2.gz HILGZQSWBACBAN-ZDUSSCGKSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)C[C@H]1C(=O)N1CCC2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001575642490 950944680 /nfs/dbraw/zinc/94/46/80/950944680.db2.gz HILGZQSWBACBAN-ZDUSSCGKSA-N -1 1 382.472 1.522 20 0 GDADMM CC(C)(CC(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001573896274 950948438 /nfs/dbraw/zinc/94/84/38/950948438.db2.gz HSGZERAMUQFZSI-HNNXBMFYSA-N -1 1 392.467 1.720 20 0 GDADMM CC(C)(CC(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001573896274 950948454 /nfs/dbraw/zinc/94/84/54/950948454.db2.gz HSGZERAMUQFZSI-HNNXBMFYSA-N -1 1 392.467 1.720 20 0 GDADMM CC1(C)C[C@H]1C(=O)N(CCO)CCNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575643038 950957019 /nfs/dbraw/zinc/95/70/19/950957019.db2.gz XDJICJJYCGESBH-QMMMGPOBSA-N -1 1 385.881 1.256 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc(Cl)cn1C ZINC001575938485 950983719 /nfs/dbraw/zinc/98/37/19/950983719.db2.gz OEGIGSZFKQVLJG-GXSJLCMTSA-N -1 1 387.835 1.364 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc(Cl)cn1C ZINC001575938485 950983732 /nfs/dbraw/zinc/98/37/32/950983732.db2.gz OEGIGSZFKQVLJG-GXSJLCMTSA-N -1 1 387.835 1.364 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001573900009 950993176 /nfs/dbraw/zinc/99/31/76/950993176.db2.gz OUEMUCUPADPBII-YUELXQCFSA-N -1 1 382.472 1.709 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001573900009 950993192 /nfs/dbraw/zinc/99/31/92/950993192.db2.gz OUEMUCUPADPBII-YUELXQCFSA-N -1 1 382.472 1.709 20 0 GDADMM CC(C)(CC(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001573900221 950996801 /nfs/dbraw/zinc/99/68/01/950996801.db2.gz WCOILVYOOKSISH-KYZUINATSA-N -1 1 384.366 1.694 20 0 GDADMM CC(C)(CC(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001573900221 950996824 /nfs/dbraw/zinc/99/68/24/950996824.db2.gz WCOILVYOOKSISH-KYZUINATSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(C)(F)F)cc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575018685 951024228 /nfs/dbraw/zinc/02/42/28/951024228.db2.gz ONLXVVCXHMEDGH-JTQLQIEISA-N -1 1 388.382 1.999 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(C)(F)F)cc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575018685 951024239 /nfs/dbraw/zinc/02/42/39/951024239.db2.gz ONLXVVCXHMEDGH-JTQLQIEISA-N -1 1 388.382 1.999 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)cc1F)CNc1nccnc1-c1nnn[n-]1 ZINC001575021641 951064270 /nfs/dbraw/zinc/06/42/70/951064270.db2.gz FASQYVQXTSAGEO-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)cc1F)CNc1nccnc1-c1nn[n-]n1 ZINC001575021641 951064284 /nfs/dbraw/zinc/06/42/84/951064284.db2.gz FASQYVQXTSAGEO-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)c(C(F)F)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575023854 951086408 /nfs/dbraw/zinc/08/64/08/951086408.db2.gz QYKFXNCMJQUIKY-MRVPVSSYSA-N -1 1 392.345 1.964 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)c(C(F)F)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575023854 951086424 /nfs/dbraw/zinc/08/64/24/951086424.db2.gz QYKFXNCMJQUIKY-MRVPVSSYSA-N -1 1 392.345 1.964 20 0 GDADMM CCOC(=O)c1cccc2nc(NC(=O)C3(CC(=O)[O-])CCOCC3)[nH]c21 ZINC001591197027 951092826 /nfs/dbraw/zinc/09/28/26/951092826.db2.gz HNBCRJKMLLJCRZ-UHFFFAOYSA-N -1 1 375.381 1.950 20 0 GDADMM CC(C)Oc1ccc(C(=O)NC[C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)nc1 ZINC001575024325 951100053 /nfs/dbraw/zinc/10/00/53/951100053.db2.gz AXLNRCFRNJOUGN-LLVKDONJSA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1ccc(C(=O)NC[C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)nc1 ZINC001575024325 951100062 /nfs/dbraw/zinc/10/00/62/951100062.db2.gz AXLNRCFRNJOUGN-LLVKDONJSA-N -1 1 383.416 1.069 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)cc1Cl)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575024461 951104876 /nfs/dbraw/zinc/10/48/76/951104876.db2.gz FCKKNVLBTSOELP-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)cc1Cl)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575024461 951104885 /nfs/dbraw/zinc/10/48/85/951104885.db2.gz FCKKNVLBTSOELP-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCC2)CNc1nccnc1-c1nnn[n-]1 ZINC001575024593 951109000 /nfs/dbraw/zinc/10/90/00/951109000.db2.gz IPAFRKBNGOWUQH-GFCCVEGCSA-N -1 1 378.440 1.623 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCC2)CNc1nccnc1-c1nn[n-]n1 ZINC001575024593 951109008 /nfs/dbraw/zinc/10/90/08/951109008.db2.gz IPAFRKBNGOWUQH-GFCCVEGCSA-N -1 1 378.440 1.623 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCCC2)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575024844 951117987 /nfs/dbraw/zinc/11/79/87/951117987.db2.gz NVTXXHKOMRHHFN-ZDUSSCGKSA-N -1 1 392.467 1.790 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCCC2)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575024844 951117994 /nfs/dbraw/zinc/11/79/94/951117994.db2.gz NVTXXHKOMRHHFN-ZDUSSCGKSA-N -1 1 392.467 1.790 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)C[C@@H](C)O2)Nc1nccnc1-c1nnn[n-]1 ZINC001575025065 951125601 /nfs/dbraw/zinc/12/56/01/951125601.db2.gz UFGHAAJKCXZHEU-GHMZBOCLSA-N -1 1 380.412 1.211 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)C[C@@H](C)O2)Nc1nccnc1-c1nn[n-]n1 ZINC001575025065 951125605 /nfs/dbraw/zinc/12/56/05/951125605.db2.gz UFGHAAJKCXZHEU-GHMZBOCLSA-N -1 1 380.412 1.211 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)cc1Cl)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575025497 951130498 /nfs/dbraw/zinc/13/04/98/951130498.db2.gz ZRZZRKFKBDSFOM-SECBINFHSA-N -1 1 390.810 1.349 20 0 GDADMM C[C@H](CNC(=O)c1ccc2ncccc2c1)Nc1nccnc1-c1nnn[n-]1 ZINC001575028065 951168373 /nfs/dbraw/zinc/16/83/73/951168373.db2.gz UEXAKFMISRZACN-LLVKDONJSA-N -1 1 375.396 1.435 20 0 GDADMM C[C@H](CNC(=O)c1ccc2ncccc2c1)Nc1nccnc1-c1nn[n-]n1 ZINC001575028065 951168378 /nfs/dbraw/zinc/16/83/78/951168378.db2.gz UEXAKFMISRZACN-LLVKDONJSA-N -1 1 375.396 1.435 20 0 GDADMM C[C@H](CNC(=O)c1cccc2c1CCC2)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575028206 951169916 /nfs/dbraw/zinc/16/99/16/951169916.db2.gz MDOQPHCTAQTDBL-GFCCVEGCSA-N -1 1 378.440 1.400 20 0 GDADMM C[C@H](CNC(=O)c1cccc2c1CCC2)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575028206 951169925 /nfs/dbraw/zinc/16/99/25/951169925.db2.gz MDOQPHCTAQTDBL-GFCCVEGCSA-N -1 1 378.440 1.400 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2c1OCC2)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575028629 951177268 /nfs/dbraw/zinc/17/72/68/951177268.db2.gz PCTXNLLBCAQFRV-LLVKDONJSA-N -1 1 380.412 1.070 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2c1OCC2)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575028629 951177278 /nfs/dbraw/zinc/17/72/78/951177278.db2.gz PCTXNLLBCAQFRV-LLVKDONJSA-N -1 1 380.412 1.070 20 0 GDADMM C[C@H](CNC(=O)c1ccccc1C(F)(F)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575029045 951181606 /nfs/dbraw/zinc/18/16/06/951181606.db2.gz RLVWMNIBQJOWSS-SECBINFHSA-N -1 1 392.345 1.906 20 0 GDADMM C[C@H](CNC(=O)c1ccccc1C(F)(F)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575029045 951181612 /nfs/dbraw/zinc/18/16/12/951181612.db2.gz RLVWMNIBQJOWSS-SECBINFHSA-N -1 1 392.345 1.906 20 0 GDADMM C[C@H](CNC(=O)c1cccc2c1O[C@@H](C)C2)Nc1nccnc1-c1nnn[n-]1 ZINC001575029370 951187738 /nfs/dbraw/zinc/18/77/38/951187738.db2.gz TVTWAXTYANMTGW-MNOVXSKESA-N -1 1 380.412 1.211 20 0 GDADMM C[C@H](CNC(=O)c1cccc2c1O[C@@H](C)C2)Nc1nccnc1-c1nn[n-]n1 ZINC001575029370 951187745 /nfs/dbraw/zinc/18/77/45/951187745.db2.gz TVTWAXTYANMTGW-MNOVXSKESA-N -1 1 380.412 1.211 20 0 GDADMM C[C@@H](CNC(=O)c1ccccc1C1(C)CC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575029757 951188790 /nfs/dbraw/zinc/18/87/90/951188790.db2.gz XIXQODHMEJQXQE-LBPRGKRZSA-N -1 1 378.440 1.939 20 0 GDADMM C[C@@H](CNC(=O)c1ccccc1C1(C)CC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575029757 951188795 /nfs/dbraw/zinc/18/87/95/951188795.db2.gz XIXQODHMEJQXQE-LBPRGKRZSA-N -1 1 378.440 1.939 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2c1CCCC2)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575029956 951192429 /nfs/dbraw/zinc/19/24/29/951192429.db2.gz YWLBHCNKJVYPQE-ZDUSSCGKSA-N -1 1 392.467 1.790 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2c1CCCC2)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575029956 951192433 /nfs/dbraw/zinc/19/24/33/951192433.db2.gz YWLBHCNKJVYPQE-ZDUSSCGKSA-N -1 1 392.467 1.790 20 0 GDADMM C[C@@H](CNC(=O)c1cccnc1C1CC1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575031667 951202621 /nfs/dbraw/zinc/20/26/21/951202621.db2.gz GKNPAPOKRATLOZ-NSHDSACASA-N -1 1 379.428 1.184 20 0 GDADMM C[C@@H](CNC(=O)c1cccnc1C1CC1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575031667 951202632 /nfs/dbraw/zinc/20/26/32/951202632.db2.gz GKNPAPOKRATLOZ-NSHDSACASA-N -1 1 379.428 1.184 20 0 GDADMM C[C@@H]1[C@@H](NS(=O)(=O)N2CCC(C(=O)[O-])CC2)CCN1Cc1ccccc1 ZINC000389068294 951343808 /nfs/dbraw/zinc/34/38/08/951343808.db2.gz VPUQCUXGZQASKJ-PBHICJAKSA-N -1 1 381.498 1.280 20 0 GDADMM CC(C)c1ncc(C(=O)NC[C@H](C)CNc2cncc(-c3nnn[n-]3)n2)s1 ZINC001575042710 951370916 /nfs/dbraw/zinc/37/09/16/951370916.db2.gz BCQWSBLVIPTIMB-SNVBAGLBSA-N -1 1 387.473 1.715 20 0 GDADMM CC(C)c1ncc(C(=O)NC[C@H](C)CNc2cncc(-c3nn[n-]n3)n2)s1 ZINC001575042710 951370932 /nfs/dbraw/zinc/37/09/32/951370932.db2.gz BCQWSBLVIPTIMB-SNVBAGLBSA-N -1 1 387.473 1.715 20 0 GDADMM C[C@H](CNC(=O)c1cnc(C2CC2)s1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575043025 951379976 /nfs/dbraw/zinc/37/99/76/951379976.db2.gz FPGSWNIVFWPSEG-SECBINFHSA-N -1 1 385.457 1.245 20 0 GDADMM C[C@H](CNC(=O)c1cnc(C2CC2)s1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575043025 951379986 /nfs/dbraw/zinc/37/99/86/951379986.db2.gz FPGSWNIVFWPSEG-SECBINFHSA-N -1 1 385.457 1.245 20 0 GDADMM C[C@H](CNC(=O)c1cnc(CC2CC2)s1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575045124 951425016 /nfs/dbraw/zinc/42/50/16/951425016.db2.gz ZNKOVBSQIOVRQE-SECBINFHSA-N -1 1 385.457 1.296 20 0 GDADMM C[C@H](CNC(=O)c1cnc(CC2CC2)s1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575045124 951425026 /nfs/dbraw/zinc/42/50/26/951425026.db2.gz ZNKOVBSQIOVRQE-SECBINFHSA-N -1 1 385.457 1.296 20 0 GDADMM C[C@@H](CNC(=O)c1cncnc1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575045618 951429868 /nfs/dbraw/zinc/42/98/68/951429868.db2.gz FLRIXUNQPZFKLW-ZETCQYMHSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@@H](CNC(=O)c1cnns1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575054574 951493173 /nfs/dbraw/zinc/49/31/73/951493173.db2.gz IXHWRQVUJOKMND-YFKPBYRVSA-N -1 1 385.866 1.306 20 0 GDADMM C[C@@H](CNC(=O)c1cnns1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575054574 951493182 /nfs/dbraw/zinc/49/31/82/951493182.db2.gz IXHWRQVUJOKMND-YFKPBYRVSA-N -1 1 385.866 1.306 20 0 GDADMM C[C@H](CNC(=O)c1csc(Cl)c1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575055824 951511208 /nfs/dbraw/zinc/51/12/08/951511208.db2.gz AMOBNHODLPVSOX-QMMMGPOBSA-N -1 1 378.849 1.272 20 0 GDADMM C[C@@H](CNC(=O)c1csc(Cl)n1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575057877 951532827 /nfs/dbraw/zinc/53/28/27/951532827.db2.gz SHLKCBUBBNCTRW-SSDOTTSWSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1csc(Cl)n1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575057877 951532834 /nfs/dbraw/zinc/53/28/34/951532834.db2.gz SHLKCBUBBNCTRW-SSDOTTSWSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@H](CNC(=O)c1coc(C(C)(C)C)n1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575058981 951537750 /nfs/dbraw/zinc/53/77/50/951537750.db2.gz XHBHHOMIDCXXPA-JTQLQIEISA-N -1 1 385.432 1.420 20 0 GDADMM C[C@H](CNC(=O)c1coc(C(C)(C)C)n1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575058981 951537758 /nfs/dbraw/zinc/53/77/58/951537758.db2.gz XHBHHOMIDCXXPA-JTQLQIEISA-N -1 1 385.432 1.420 20 0 GDADMM C[C@H](CNC(=O)c1csc(C(C)(C)C)n1)Nc1nccnc1-c1nnn[n-]1 ZINC001575059364 951539393 /nfs/dbraw/zinc/53/93/93/951539393.db2.gz ZSOYCYPEWBBUBH-SECBINFHSA-N -1 1 387.473 1.641 20 0 GDADMM C[C@H](CNC(=O)c1csc(C(C)(C)C)n1)Nc1nccnc1-c1nn[n-]n1 ZINC001575059364 951539401 /nfs/dbraw/zinc/53/94/01/951539401.db2.gz ZSOYCYPEWBBUBH-SECBINFHSA-N -1 1 387.473 1.641 20 0 GDADMM C[C@@H](CNC(=O)c1cscc1Cl)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575060584 951543937 /nfs/dbraw/zinc/54/39/37/951543937.db2.gz AHDVCYAZNUICLU-MRVPVSSYSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@@H](CNC(=O)c1cscc1Cl)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575060584 951543947 /nfs/dbraw/zinc/54/39/47/951543947.db2.gz AHDVCYAZNUICLU-MRVPVSSYSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@H](CNC(=O)c1n[nH]cc1F)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575060744 951547510 /nfs/dbraw/zinc/54/75/10/951547510.db2.gz FMGVMVYDPPLWNS-RXMQYKEDSA-N -1 1 385.816 1.094 20 0 GDADMM C[C@@H](CNC(=O)c1cscn1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001575060858 951550690 /nfs/dbraw/zinc/55/06/90/951550690.db2.gz IHKBBURAWWHKIZ-LURJTMIESA-N -1 1 384.878 1.688 20 0 GDADMM C[C@@H](CNC(=O)c1cscn1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001575060858 951550698 /nfs/dbraw/zinc/55/06/98/951550698.db2.gz IHKBBURAWWHKIZ-LURJTMIESA-N -1 1 384.878 1.688 20 0 GDADMM C[C@@H](CNC(=O)c1nc(Cl)cs1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575060885 951551966 /nfs/dbraw/zinc/55/19/66/951551966.db2.gz IVSKGPOKWITKAC-ZETCQYMHSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@@H](CNC(=O)c1nc(Cl)cs1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575060885 951551971 /nfs/dbraw/zinc/55/19/71/951551971.db2.gz IVSKGPOKWITKAC-ZETCQYMHSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@H](CNC(=O)c1ncccc1F)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001575066641 951600230 /nfs/dbraw/zinc/60/02/30/951600230.db2.gz HPNXTYPBYRAJNT-ZCFIWIBFSA-N -1 1 382.812 1.741 20 0 GDADMM C[C@H](CNC(=O)c1ncccc1F)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575066641 951600234 /nfs/dbraw/zinc/60/02/34/951600234.db2.gz HPNXTYPBYRAJNT-ZCFIWIBFSA-N -1 1 382.812 1.741 20 0 GDADMM C[C@@H](CNC(=O)c1scnc1Cl)CNc1nccnc1-c1nnn[n-]1 ZINC001575068536 951633775 /nfs/dbraw/zinc/63/37/75/951633775.db2.gz AHCSHKMLMXYGTH-SSDOTTSWSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1scnc1Cl)CNc1nccnc1-c1nn[n-]n1 ZINC001575068536 951633781 /nfs/dbraw/zinc/63/37/81/951633781.db2.gz AHCSHKMLMXYGTH-SSDOTTSWSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@H](CNC(=O)c1onc2c1CCCC2)CNc1nccnc1-c1nnn[n-]1 ZINC001575068604 951636879 /nfs/dbraw/zinc/63/68/79/951636879.db2.gz CAOQQLACGMGOBF-JTQLQIEISA-N -1 1 383.416 1.002 20 0 GDADMM C[C@H](CNC(=O)c1onc2c1CCCC2)CNc1nccnc1-c1nn[n-]n1 ZINC001575068604 951636885 /nfs/dbraw/zinc/63/68/85/951636885.db2.gz CAOQQLACGMGOBF-JTQLQIEISA-N -1 1 383.416 1.002 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@]2(CCCCN2[C@@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC001602889143 971791056 /nfs/dbraw/zinc/79/10/56/971791056.db2.gz QDILCDIBIONEDA-FOIQADDNSA-N -1 1 395.500 1.928 20 0 GDADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)[C@@H]1Cc2ccccc21)C1CC1 ZINC001575123601 952017729 /nfs/dbraw/zinc/01/77/29/952017729.db2.gz BFHAZBAWCCYUHP-FOIQADDNSA-N -1 1 390.451 1.693 20 0 GDADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)[C@@H]1Cc2ccccc21)C1CC1 ZINC001575123601 952017742 /nfs/dbraw/zinc/01/77/42/952017742.db2.gz BFHAZBAWCCYUHP-FOIQADDNSA-N -1 1 390.451 1.693 20 0 GDADMM O=C([O-])Cc1ccccc1NC(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 ZINC001595135763 952051167 /nfs/dbraw/zinc/05/11/67/952051167.db2.gz DNOOXLLJFSFRJR-KRWDZBQOSA-N -1 1 390.484 1.232 20 0 GDADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)Cc1ccccc1)C1CC1 ZINC001575128428 952066459 /nfs/dbraw/zinc/06/64/59/952066459.db2.gz IGLQXDZVYVPTPH-IBGZPJMESA-N -1 1 378.440 1.596 20 0 GDADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)Cc1ccccc1)C1CC1 ZINC001575128428 952066467 /nfs/dbraw/zinc/06/64/67/952066467.db2.gz IGLQXDZVYVPTPH-IBGZPJMESA-N -1 1 378.440 1.596 20 0 GDADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)c1cc(Cl)c[nH]1)C1CC1 ZINC001575128611 952068320 /nfs/dbraw/zinc/06/83/20/952068320.db2.gz KBJIHBXGNSLTTM-MRXNPFEDSA-N -1 1 387.835 1.649 20 0 GDADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)c1cc(Cl)c[nH]1)C1CC1 ZINC001575128611 952068325 /nfs/dbraw/zinc/06/83/25/952068325.db2.gz KBJIHBXGNSLTTM-MRXNPFEDSA-N -1 1 387.835 1.649 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ccnn1C1CCC1 ZINC001575133364 952103986 /nfs/dbraw/zinc/10/39/86/952103986.db2.gz FHBGCNCSNYOCMF-NSHDSACASA-N -1 1 382.432 1.151 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ccnn1C1CCC1 ZINC001575133364 952103991 /nfs/dbraw/zinc/10/39/91/952103991.db2.gz FHBGCNCSNYOCMF-NSHDSACASA-N -1 1 382.432 1.151 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cccnc1C(F)F ZINC001575133562 952106313 /nfs/dbraw/zinc/10/63/13/952106313.db2.gz LECPFURUPBDRSM-SECBINFHSA-N -1 1 389.370 1.562 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cccnc1C(F)F ZINC001575133562 952106315 /nfs/dbraw/zinc/10/63/15/952106315.db2.gz LECPFURUPBDRSM-SECBINFHSA-N -1 1 389.370 1.562 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)C[C@H]1CCCC1(F)F ZINC001575136954 952130960 /nfs/dbraw/zinc/13/09/60/952130960.db2.gz YGKGCCIMOGEBOD-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)C[C@H]1CCCC1(F)F ZINC001575136954 952130963 /nfs/dbraw/zinc/13/09/63/952130963.db2.gz YGKGCCIMOGEBOD-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)CCc1ccoc1)C1CC1 ZINC001575143536 952154375 /nfs/dbraw/zinc/15/43/75/952154375.db2.gz QDXNHGCTQDDDQE-GOSISDBHSA-N -1 1 382.428 1.001 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C[C@@H]1CCc2ccccc21 ZINC001575143639 952156354 /nfs/dbraw/zinc/15/63/54/952156354.db2.gz QGCBJHIDZCOODR-HIFRSBDPSA-N -1 1 392.467 1.458 20 0 GDADMM O=C([O-])Cn1cccc(C(=O)N2CCc3nc[nH]c3[C@@H]2c2ccccc2)c1=O ZINC001595155223 952162527 /nfs/dbraw/zinc/16/25/27/952162527.db2.gz RYYDXVUNLYTEPJ-SFHVURJKSA-N -1 1 378.388 1.444 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)C1(c2ccccn2)CC1 ZINC001575153300 952207988 /nfs/dbraw/zinc/20/79/88/952207988.db2.gz FYVMCKVNWFSASI-LBPRGKRZSA-N -1 1 379.428 1.042 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)C1(c2ccccn2)CC1 ZINC001575153300 952207992 /nfs/dbraw/zinc/20/79/92/952207992.db2.gz FYVMCKVNWFSASI-LBPRGKRZSA-N -1 1 379.428 1.042 20 0 GDADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)CCc1ccccc1)C1CC1 ZINC001575154374 952221568 /nfs/dbraw/zinc/22/15/68/952221568.db2.gz RHYFVKZRXRSCGA-FQEVSTJZSA-N -1 1 392.467 1.986 20 0 GDADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)CCc1ccccc1)C1CC1 ZINC001575154374 952221577 /nfs/dbraw/zinc/22/15/77/952221577.db2.gz RHYFVKZRXRSCGA-FQEVSTJZSA-N -1 1 392.467 1.986 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001575155192 952237502 /nfs/dbraw/zinc/23/75/02/952237502.db2.gz XKOGQVIFCXOLJD-VUYXQBRFSA-N -1 1 390.451 1.501 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001575155192 952237510 /nfs/dbraw/zinc/23/75/10/952237510.db2.gz XKOGQVIFCXOLJD-VUYXQBRFSA-N -1 1 390.451 1.501 20 0 GDADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)CCn1cccc1)C1CC1 ZINC001575155992 952247568 /nfs/dbraw/zinc/24/75/68/952247568.db2.gz QGKQHKNQDDOIOQ-SFHVURJKSA-N -1 1 381.444 1.245 20 0 GDADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)CCn1cccc1)C1CC1 ZINC001575155992 952247571 /nfs/dbraw/zinc/24/75/71/952247571.db2.gz QGKQHKNQDDOIOQ-SFHVURJKSA-N -1 1 381.444 1.245 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)C(C)(C)c1cccnc1 ZINC001575156277 952250254 /nfs/dbraw/zinc/25/02/54/952250254.db2.gz SBHAURWRMXLECH-GFCCVEGCSA-N -1 1 381.444 1.288 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)C(C)(C)c1cccnc1 ZINC001575156277 952250257 /nfs/dbraw/zinc/25/02/57/952250257.db2.gz SBHAURWRMXLECH-GFCCVEGCSA-N -1 1 381.444 1.288 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ncoc1C(C)(C)C ZINC001575156594 952254432 /nfs/dbraw/zinc/25/44/32/952254432.db2.gz VJXAAHPACWVVOX-SNVBAGLBSA-N -1 1 385.432 1.515 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ncoc1C(C)(C)C ZINC001575156594 952254439 /nfs/dbraw/zinc/25/44/39/952254439.db2.gz VJXAAHPACWVVOX-SNVBAGLBSA-N -1 1 385.432 1.515 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)Cc1c(F)cccc1F ZINC001575156699 952256577 /nfs/dbraw/zinc/25/65/77/952256577.db2.gz HNTYKDFCZKCIHI-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)Cc1c(F)cccc1F ZINC001575156699 952256580 /nfs/dbraw/zinc/25/65/80/952256580.db2.gz HNTYKDFCZKCIHI-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cccc(N(C)C)c1 ZINC001575157423 952264898 /nfs/dbraw/zinc/26/48/98/952264898.db2.gz ZXSXIOHRFHEKMC-GFCCVEGCSA-N -1 1 381.444 1.295 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cccc(N(C)C)c1 ZINC001575157423 952264902 /nfs/dbraw/zinc/26/49/02/952264902.db2.gz ZXSXIOHRFHEKMC-GFCCVEGCSA-N -1 1 381.444 1.295 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1ncsc1C1CC1 ZINC001575158044 952269869 /nfs/dbraw/zinc/26/98/69/952269869.db2.gz RKFRWPJSCIVWSO-VIFPVBQESA-N -1 1 385.457 1.563 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1ncsc1C1CC1 ZINC001575158044 952269872 /nfs/dbraw/zinc/26/98/72/952269872.db2.gz RKFRWPJSCIVWSO-VIFPVBQESA-N -1 1 385.457 1.563 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)C[C@H]1CCOC1 ZINC001575166259 952321606 /nfs/dbraw/zinc/32/16/06/952321606.db2.gz UFKQELVXKOWNNN-DTWKUNHWSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)C[C@H]1CCOC1 ZINC001575166259 952321616 /nfs/dbraw/zinc/32/16/16/952321616.db2.gz UFKQELVXKOWNNN-DTWKUNHWSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1sccc1Cl ZINC001575166739 952327553 /nfs/dbraw/zinc/32/75/53/952327553.db2.gz YGDDVKFIZQEYOT-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1sccc1Cl ZINC001575166739 952327559 /nfs/dbraw/zinc/32/75/59/952327559.db2.gz YGDDVKFIZQEYOT-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)c1ccnnc1 ZINC001575166769 952327773 /nfs/dbraw/zinc/32/77/73/952327773.db2.gz YWGPGMPKSXRBQK-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)c1ccn(C)c1 ZINC001575166710 952328403 /nfs/dbraw/zinc/32/84/03/952328403.db2.gz XOSCPSVIEBNTOL-MRVPVSSYSA-N -1 1 380.865 1.888 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)Cc1ccc[nH]1 ZINC001575166701 952328647 /nfs/dbraw/zinc/32/86/47/952328647.db2.gz XMJDRLJOVYQOCE-QMMMGPOBSA-N -1 1 380.865 1.806 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)Cc1ccc[nH]1 ZINC001575166701 952328656 /nfs/dbraw/zinc/32/86/56/952328656.db2.gz XMJDRLJOVYQOCE-QMMMGPOBSA-N -1 1 380.865 1.806 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)c1cncn1C ZINC001575166789 952330135 /nfs/dbraw/zinc/33/01/35/952330135.db2.gz ZEHXJKPPXYVZBD-ZETCQYMHSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)c1cncn1C ZINC001575166789 952330141 /nfs/dbraw/zinc/33/01/41/952330141.db2.gz ZEHXJKPPXYVZBD-ZETCQYMHSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)c1ccc(F)cc1)C1CC1 ZINC001575173870 952357133 /nfs/dbraw/zinc/35/71/33/952357133.db2.gz BUQRVCCVDGCGGY-GOSISDBHSA-N -1 1 382.403 1.806 20 0 GDADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)c1ccc(F)cc1)C1CC1 ZINC001575173870 952357138 /nfs/dbraw/zinc/35/71/38/952357138.db2.gz BUQRVCCVDGCGGY-GOSISDBHSA-N -1 1 382.403 1.806 20 0 GDADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)c1occc1Cl)C1CC1 ZINC001575174009 952361517 /nfs/dbraw/zinc/36/15/17/952361517.db2.gz FJPPPGSCJNAEKP-MRXNPFEDSA-N -1 1 388.819 1.914 20 0 GDADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)c1occc1Cl)C1CC1 ZINC001575174009 952361522 /nfs/dbraw/zinc/36/15/22/952361522.db2.gz FJPPPGSCJNAEKP-MRXNPFEDSA-N -1 1 388.819 1.914 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)C1CCC(F)(F)CC1 ZINC001575174248 952367131 /nfs/dbraw/zinc/36/71/31/952367131.db2.gz KMWWNFKEIRLFAV-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)C1CCC(F)(F)CC1 ZINC001575174248 952367136 /nfs/dbraw/zinc/36/71/36/952367136.db2.gz KMWWNFKEIRLFAV-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ncc(Cl)s1 ZINC001575176437 952393081 /nfs/dbraw/zinc/39/30/81/952393081.db2.gz DIPMMIWOZRHSDQ-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ncc(Cl)s1 ZINC001575176437 952393086 /nfs/dbraw/zinc/39/30/86/952393086.db2.gz DIPMMIWOZRHSDQ-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1coc(C(C)(C)C)n1 ZINC001575179466 952411689 /nfs/dbraw/zinc/41/16/89/952411689.db2.gz PIDTYQWRSSTDGZ-JTQLQIEISA-N -1 1 385.432 1.515 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1coc(C(C)(C)C)n1 ZINC001575179466 952411693 /nfs/dbraw/zinc/41/16/93/952411693.db2.gz PIDTYQWRSSTDGZ-JTQLQIEISA-N -1 1 385.432 1.515 20 0 GDADMM C[C@H](Cc1ccc(F)cc1)C(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575187176 952437998 /nfs/dbraw/zinc/43/79/98/952437998.db2.gz AGBHOIMUZYIMJZ-GFCCVEGCSA-N -1 1 384.419 1.227 20 0 GDADMM C[C@H](Cc1ccc(F)cc1)C(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575187176 952438001 /nfs/dbraw/zinc/43/80/01/952438001.db2.gz AGBHOIMUZYIMJZ-GFCCVEGCSA-N -1 1 384.419 1.227 20 0 GDADMM C[C@H](Cc1ccccc1F)C(=O)N[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575191071 952466156 /nfs/dbraw/zinc/46/61/56/952466156.db2.gz WWAVROYFAMTRHM-NEPJUHHUSA-N -1 1 384.419 1.013 20 0 GDADMM Cc1cc(F)cc(-c2nn[n-]n2)c1S(=O)(=O)N1Cc2ccccc2CO1 ZINC001571115775 952470607 /nfs/dbraw/zinc/47/06/07/952470607.db2.gz ZMBPZGHOEKMSDK-UHFFFAOYSA-N -1 1 375.385 1.950 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575196586 952475125 /nfs/dbraw/zinc/47/51/25/952475125.db2.gz HGOCFDXLRIZXTL-STQMWFEESA-N -1 1 382.428 1.531 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575196586 952475132 /nfs/dbraw/zinc/47/51/32/952475132.db2.gz HGOCFDXLRIZXTL-STQMWFEESA-N -1 1 382.428 1.531 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001575196564 952475635 /nfs/dbraw/zinc/47/56/35/952475635.db2.gz HFVVIWKVYMACEW-QWHCGFSZSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001575196564 952475638 /nfs/dbraw/zinc/47/56/38/952475638.db2.gz HFVVIWKVYMACEW-QWHCGFSZSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001575197173 952480950 /nfs/dbraw/zinc/48/09/50/952480950.db2.gz OKMAOEAIWRUIJH-RWMBFGLXSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001575197173 952480954 /nfs/dbraw/zinc/48/09/54/952480954.db2.gz OKMAOEAIWRUIJH-RWMBFGLXSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001575197288 952481805 /nfs/dbraw/zinc/48/18/05/952481805.db2.gz RRXISDVKNHJEBO-SMDDNHRTSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001575197288 952481809 /nfs/dbraw/zinc/48/18/09/952481809.db2.gz RRXISDVKNHJEBO-SMDDNHRTSA-N -1 1 382.428 1.435 20 0 GDADMM CC(C)[C@H](CNC(=O)[C@H](C)Cc1ccco1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575197381 952483688 /nfs/dbraw/zinc/48/36/88/952483688.db2.gz VFTNOIHVCQOAHL-OCCSQVGLSA-N -1 1 384.444 1.681 20 0 GDADMM CC(C)[C@H](CNC(=O)[C@H](C)Cc1ccco1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575197381 952483691 /nfs/dbraw/zinc/48/36/91/952483691.db2.gz VFTNOIHVCQOAHL-OCCSQVGLSA-N -1 1 384.444 1.681 20 0 GDADMM Cc1nsc(N[C@@H]2CN(C(=O)C3=CCOCC3)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571117764 952484230 /nfs/dbraw/zinc/48/42/30/952484230.db2.gz QJSPXQJZTXMRSB-BXKDBHETSA-N -1 1 375.458 1.237 20 0 GDADMM O=C(NCc1ccc2c(c1)CN(c1cncc(-c3nnn[n-]3)n1)C2)C1CCC1 ZINC001571119725 952493777 /nfs/dbraw/zinc/49/37/77/952493777.db2.gz FAWYZMOUIRKNGG-UHFFFAOYSA-N -1 1 376.424 1.593 20 0 GDADMM O=C(NCc1ccc2c(c1)CN(c1cncc(-c3nn[n-]n3)n1)C2)C1CCC1 ZINC001571119725 952493781 /nfs/dbraw/zinc/49/37/81/952493781.db2.gz FAWYZMOUIRKNGG-UHFFFAOYSA-N -1 1 376.424 1.593 20 0 GDADMM O=C(c1ccsc1-c1nnn[n-]1)N1CCN(c2cc(Cl)ccn2)CC1 ZINC001571120421 952504031 /nfs/dbraw/zinc/50/40/31/952504031.db2.gz LERAPJOPXQPHRL-UHFFFAOYSA-N -1 1 375.845 1.939 20 0 GDADMM O=C(c1ccsc1-c1nn[n-]n1)N1CCN(c2cc(Cl)ccn2)CC1 ZINC001571120421 952504038 /nfs/dbraw/zinc/50/40/38/952504038.db2.gz LERAPJOPXQPHRL-UHFFFAOYSA-N -1 1 375.845 1.939 20 0 GDADMM CC[C@H](F)C(=O)N1CCC([C@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001571121583 952521091 /nfs/dbraw/zinc/52/10/91/952521091.db2.gz AACLIWFUFIGIQV-AAEUAGOBSA-N -1 1 376.440 1.752 20 0 GDADMM CC[C@H](F)C(=O)N1CCC([C@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001571121583 952521094 /nfs/dbraw/zinc/52/10/94/952521094.db2.gz AACLIWFUFIGIQV-AAEUAGOBSA-N -1 1 376.440 1.752 20 0 GDADMM Cc1nsc(N2CC[C@@H](NC(=O)C[C@@H]3CCCCO3)C2)c1-c1nn[n-]n1 ZINC001571128657 952569841 /nfs/dbraw/zinc/56/98/41/952569841.db2.gz WFOKMJSBVRTQOE-NEPJUHHUSA-N -1 1 377.474 1.286 20 0 GDADMM O=C(CCOc1ccccc1Br)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001571129528 952575160 /nfs/dbraw/zinc/57/51/60/952575160.db2.gz GELUPYNYGBVUJI-UHFFFAOYSA-N -1 1 378.190 1.760 20 0 GDADMM O=C(CCOc1ccccc1Br)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001571129528 952575162 /nfs/dbraw/zinc/57/51/62/952575162.db2.gz GELUPYNYGBVUJI-UHFFFAOYSA-N -1 1 378.190 1.760 20 0 GDADMM C[C@@H]1C[C@H](NC(=O)C2CC(F)(F)C2)CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571130252 952580038 /nfs/dbraw/zinc/58/00/38/952580038.db2.gz QXPWXOQOKDHWOA-MWLCHTKSSA-N -1 1 378.387 1.176 20 0 GDADMM C[C@@H]1C[C@H](NC(=O)C2CC(F)(F)C2)CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571130252 952580042 /nfs/dbraw/zinc/58/00/42/952580042.db2.gz QXPWXOQOKDHWOA-MWLCHTKSSA-N -1 1 378.387 1.176 20 0 GDADMM O=C(C[C@H]1CCC(F)(F)C1)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571130530 952580957 /nfs/dbraw/zinc/58/09/57/952580957.db2.gz SKACDAZWOLVKNY-GHMZBOCLSA-N -1 1 378.387 1.177 20 0 GDADMM O=C(C[C@@H]1CCCC1(F)F)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571130921 952582944 /nfs/dbraw/zinc/58/29/44/952582944.db2.gz YMBYKFYPVPNVNM-QWRGUYRKSA-N -1 1 378.387 1.495 20 0 GDADMM O=C(C[C@@H]1CCCC1(F)F)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571130921 952582948 /nfs/dbraw/zinc/58/29/48/952582948.db2.gz YMBYKFYPVPNVNM-QWRGUYRKSA-N -1 1 378.387 1.495 20 0 GDADMM Cc1ccccc1[C@@H](C)C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571134298 952588065 /nfs/dbraw/zinc/58/80/65/952588065.db2.gz HICISEOVBLLEHQ-KGLIPLIRSA-N -1 1 378.440 1.782 20 0 GDADMM Cc1ccccc1[C@@H](C)C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571134298 952588069 /nfs/dbraw/zinc/58/80/69/952588069.db2.gz HICISEOVBLLEHQ-KGLIPLIRSA-N -1 1 378.440 1.782 20 0 GDADMM Cc1cccc(CC(=O)N(C)[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571134834 952596316 /nfs/dbraw/zinc/59/63/16/952596316.db2.gz ODANTZTUIAUZMB-HNNXBMFYSA-N -1 1 378.440 1.245 20 0 GDADMM Cc1cccc(CC(=O)N(C)[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571134834 952596319 /nfs/dbraw/zinc/59/63/19/952596319.db2.gz ODANTZTUIAUZMB-HNNXBMFYSA-N -1 1 378.440 1.245 20 0 GDADMM Cc1ccc(C(=O)N2CCCN(c3ccnc(-c4nn[n-]n4)n3)CC2)cc1C ZINC001571135108 952599843 /nfs/dbraw/zinc/59/98/43/952599843.db2.gz RRLHPRFPMQYOAI-UHFFFAOYSA-N -1 1 378.440 1.626 20 0 GDADMM CC(C)c1ccc(C(=O)N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)cc1 ZINC001571135215 952601819 /nfs/dbraw/zinc/60/18/19/952601819.db2.gz REIFVJGDDDNMOA-UHFFFAOYSA-N -1 1 378.440 1.743 20 0 GDADMM CC(C)c1ccc(C(=O)N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)cc1 ZINC001571135215 952601820 /nfs/dbraw/zinc/60/18/20/952601820.db2.gz REIFVJGDDDNMOA-UHFFFAOYSA-N -1 1 378.440 1.743 20 0 GDADMM Cc1c(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)cccc1N1CCOC1=O ZINC001571141333 952632599 /nfs/dbraw/zinc/63/25/99/952632599.db2.gz XMPYKDPDIBTDOA-UHFFFAOYSA-N -1 1 379.380 1.708 20 0 GDADMM Cc1c(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)cccc1N1CCOC1=O ZINC001571141333 952632601 /nfs/dbraw/zinc/63/26/01/952632601.db2.gz XMPYKDPDIBTDOA-UHFFFAOYSA-N -1 1 379.380 1.708 20 0 GDADMM Cc1cnccc1C(=O)NC[C@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571146282 952648169 /nfs/dbraw/zinc/64/81/69/952648169.db2.gz FNMODUWDEFVSRQ-CYBMUJFWSA-N -1 1 379.428 1.149 20 0 GDADMM C[C@H]1CN(C(=O)c2c[nH]cc2C2CC2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571147130 952657821 /nfs/dbraw/zinc/65/78/21/952657821.db2.gz GWGNMQJUCUKFIA-ZUZCIYMTSA-N -1 1 379.428 1.435 20 0 GDADMM C[C@H]1CN(C(=O)c2c[nH]cc2C2CC2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571147130 952657825 /nfs/dbraw/zinc/65/78/25/952657825.db2.gz GWGNMQJUCUKFIA-ZUZCIYMTSA-N -1 1 379.428 1.435 20 0 GDADMM CCc1cncc(C(=O)N2CC[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571147370 952660510 /nfs/dbraw/zinc/66/05/10/952660510.db2.gz LGYXYYPJUVGNDO-ZDUSSCGKSA-N -1 1 379.428 1.188 20 0 GDADMM CCc1cncc(C(=O)N2CC[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571147370 952660511 /nfs/dbraw/zinc/66/05/11/952660511.db2.gz LGYXYYPJUVGNDO-ZDUSSCGKSA-N -1 1 379.428 1.188 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001571147747 952663611 /nfs/dbraw/zinc/66/36/11/952663611.db2.gz PJCIJIMTRVTHRR-OLZOCXBDSA-N -1 1 379.428 1.177 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001571147747 952663614 /nfs/dbraw/zinc/66/36/14/952663614.db2.gz PJCIJIMTRVTHRR-OLZOCXBDSA-N -1 1 379.428 1.177 20 0 GDADMM CCc1ccnc(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)[C@@H]2C)c1 ZINC001571147893 952664250 /nfs/dbraw/zinc/66/42/50/952664250.db2.gz RTHLVWFOVNKOSF-YPMHNXCESA-N -1 1 379.428 1.011 20 0 GDADMM CCc1ccnc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)[C@@H]2C)c1 ZINC001571147893 952664255 /nfs/dbraw/zinc/66/42/55/952664255.db2.gz RTHLVWFOVNKOSF-YPMHNXCESA-N -1 1 379.428 1.011 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccncc2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571148294 952666345 /nfs/dbraw/zinc/66/63/45/952666345.db2.gz YCFNZHYBFRWAPJ-TZMCWYRMSA-N -1 1 379.428 1.262 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccncc2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571148294 952666347 /nfs/dbraw/zinc/66/63/47/952666347.db2.gz YCFNZHYBFRWAPJ-TZMCWYRMSA-N -1 1 379.428 1.262 20 0 GDADMM O=C(c1ccncc1)N1CCCC[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001571151412 952675594 /nfs/dbraw/zinc/67/55/94/952675594.db2.gz QAOFCKQISZWBBA-AWEZNQCLSA-N -1 1 379.428 1.549 20 0 GDADMM O=C(c1ccncc1)N1CCCC[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001571151412 952675597 /nfs/dbraw/zinc/67/55/97/952675597.db2.gz QAOFCKQISZWBBA-AWEZNQCLSA-N -1 1 379.428 1.549 20 0 GDADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)Nc1cccc(N2CCNC2=O)c1 ZINC001571153386 952686285 /nfs/dbraw/zinc/68/62/85/952686285.db2.gz QHYLVHHWTVMXHB-UHFFFAOYSA-N -1 1 380.368 1.058 20 0 GDADMM CCOc1cccc(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571154741 952689084 /nfs/dbraw/zinc/68/90/84/952689084.db2.gz ARHLQKIQVJSFEL-ZDUSSCGKSA-N -1 1 380.412 1.064 20 0 GDADMM CCOc1cccc(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571154741 952689087 /nfs/dbraw/zinc/68/90/87/952689087.db2.gz ARHLQKIQVJSFEL-ZDUSSCGKSA-N -1 1 380.412 1.064 20 0 GDADMM O=C(Cc1ccoc1)N1CC[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571154132 952689653 /nfs/dbraw/zinc/68/96/53/952689653.db2.gz YURWBDZCUWBAHM-VIFPVBQESA-N -1 1 379.833 1.825 20 0 GDADMM C[C@@H]1C[C@H](C(=O)Nc2c(-c3nn[n-]n3)nnn2Cc2ccccc2)CCC1=O ZINC001571154843 952690185 /nfs/dbraw/zinc/69/01/85/952690185.db2.gz CHWHCDWAEHPRLC-DGCLKSJQSA-N -1 1 380.412 1.450 20 0 GDADMM Cc1cc(F)cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nnn[n-]3)nn2)c1 ZINC001571155118 952692364 /nfs/dbraw/zinc/69/23/64/952692364.db2.gz IHSDYDJEKLYMFP-KBPBESRZSA-N -1 1 380.387 1.208 20 0 GDADMM Cc1cc(F)cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nn[n-]n3)nn2)c1 ZINC001571155118 952692369 /nfs/dbraw/zinc/69/23/69/952692369.db2.gz IHSDYDJEKLYMFP-KBPBESRZSA-N -1 1 380.387 1.208 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1)C(C)(F)F ZINC001571155283 952695038 /nfs/dbraw/zinc/69/50/38/952695038.db2.gz MXSNKBXQFKXEMA-GHMZBOCLSA-N -1 1 380.403 1.375 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1)C(C)(F)F ZINC001571155283 952695039 /nfs/dbraw/zinc/69/50/39/952695039.db2.gz MXSNKBXQFKXEMA-GHMZBOCLSA-N -1 1 380.403 1.375 20 0 GDADMM Cc1cc[nH]c1C(=O)N[C@@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001571156058 952700886 /nfs/dbraw/zinc/70/08/86/952700886.db2.gz BVWVJJBJJOOMNZ-GFCCVEGCSA-N -1 1 379.428 1.082 20 0 GDADMM Cc1cccnc1C(=O)N1CC[C@@H]([C@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571156647 952702491 /nfs/dbraw/zinc/70/24/91/952702491.db2.gz GBHUNHSGTHVVLC-QWHCGFSZSA-N -1 1 379.428 1.323 20 0 GDADMM Cc1cccnc1C(=O)N1CC[C@@H]([C@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571156647 952702493 /nfs/dbraw/zinc/70/24/93/952702493.db2.gz GBHUNHSGTHVVLC-QWHCGFSZSA-N -1 1 379.428 1.323 20 0 GDADMM Cc1ccncc1CC(=O)N(C)C1CC(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571157068 952705599 /nfs/dbraw/zinc/70/55/99/952705599.db2.gz LXIIDAYSGLMGCO-UHFFFAOYSA-N -1 1 379.428 1.004 20 0 GDADMM Cc1ccncc1CC(=O)N(C)C1CC(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571157068 952705604 /nfs/dbraw/zinc/70/56/04/952705604.db2.gz LXIIDAYSGLMGCO-UHFFFAOYSA-N -1 1 379.428 1.004 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CC[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001571157081 952705804 /nfs/dbraw/zinc/70/58/04/952705804.db2.gz MIXLUQWEUWAKEQ-GXTWGEPZSA-N -1 1 379.428 1.371 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CC[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571157081 952705809 /nfs/dbraw/zinc/70/58/09/952705809.db2.gz MIXLUQWEUWAKEQ-GXTWGEPZSA-N -1 1 379.428 1.371 20 0 GDADMM Cc1ccc(C(=O)N2CCC(N(C)c3nccnc3-c3nnn[n-]3)CC2)cn1 ZINC001571158019 952708814 /nfs/dbraw/zinc/70/88/14/952708814.db2.gz PWUGXVXGTRFDAB-UHFFFAOYSA-N -1 1 379.428 1.101 20 0 GDADMM Cc1ccc(C(=O)N2CCC(N(C)c3nccnc3-c3nn[n-]n3)CC2)cn1 ZINC001571158019 952708816 /nfs/dbraw/zinc/70/88/16/952708816.db2.gz PWUGXVXGTRFDAB-UHFFFAOYSA-N -1 1 379.428 1.101 20 0 GDADMM Cc1ccncc1C(=O)N[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571158027 952709201 /nfs/dbraw/zinc/70/92/01/952709201.db2.gz PZCUHNKDJSWHHA-ZIAGYGMSSA-N -1 1 379.428 1.513 20 0 GDADMM Cc1ccncc1C(=O)N[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571158027 952709206 /nfs/dbraw/zinc/70/92/06/952709206.db2.gz PZCUHNKDJSWHHA-ZIAGYGMSSA-N -1 1 379.428 1.513 20 0 GDADMM Cc1cnccc1C(=O)N[C@H]1CC[C@@H](C)N(c2nccnc2-c2nnn[n-]2)C1 ZINC001571158922 952716122 /nfs/dbraw/zinc/71/61/22/952716122.db2.gz UKPUBYQUXRPHIR-OLZOCXBDSA-N -1 1 379.428 1.147 20 0 GDADMM Cc1cnccc1C(=O)N[C@H]1CC[C@@H](C)N(c2nccnc2-c2nn[n-]n2)C1 ZINC001571158922 952716131 /nfs/dbraw/zinc/71/61/31/952716131.db2.gz UKPUBYQUXRPHIR-OLZOCXBDSA-N -1 1 379.428 1.147 20 0 GDADMM Cc1cnc(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)[C@@H]2C)c(C)c1 ZINC001571159729 952722248 /nfs/dbraw/zinc/72/22/48/952722248.db2.gz WAEVQSXJHQNDJQ-OLZOCXBDSA-N -1 1 379.428 1.066 20 0 GDADMM Cc1cnc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)[C@@H]2C)c(C)c1 ZINC001571159729 952722250 /nfs/dbraw/zinc/72/22/50/952722250.db2.gz WAEVQSXJHQNDJQ-OLZOCXBDSA-N -1 1 379.428 1.066 20 0 GDADMM O=C(N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)c1occ2c1CCC2 ZINC001571161033 952729480 /nfs/dbraw/zinc/72/94/80/952729480.db2.gz PBIBNOJBWJCVGE-LBPRGKRZSA-N -1 1 380.412 1.137 20 0 GDADMM O=C(N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)c1occ2c1CCC2 ZINC001571161033 952729486 /nfs/dbraw/zinc/72/94/86/952729486.db2.gz PBIBNOJBWJCVGE-LBPRGKRZSA-N -1 1 380.412 1.137 20 0 GDADMM CC(C)(C)OC(=O)c1ccc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)cn1 ZINC001571170346 952784787 /nfs/dbraw/zinc/78/47/87/952784787.db2.gz HAVKIAQHZVQBBI-UHFFFAOYSA-N -1 1 381.396 1.542 20 0 GDADMM CC(C)(C)OC(=O)c1ccc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)cn1 ZINC001571170346 952784790 /nfs/dbraw/zinc/78/47/90/952784790.db2.gz HAVKIAQHZVQBBI-UHFFFAOYSA-N -1 1 381.396 1.542 20 0 GDADMM CCc1cccc(NC(=O)CNC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)c1 ZINC001571170672 952788051 /nfs/dbraw/zinc/78/80/51/952788051.db2.gz KLEXGIWQKUZNSD-UHFFFAOYSA-N -1 1 381.396 1.207 20 0 GDADMM C[C@@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)CN1C(=O)c1cc(C2CC2)no1 ZINC001571170775 952788631 /nfs/dbraw/zinc/78/86/31/952788631.db2.gz LKXMFAXNGSOPGZ-KOLCDFICSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)CN1C(=O)c1cc(C2CC2)no1 ZINC001571170775 952788635 /nfs/dbraw/zinc/78/86/35/952788635.db2.gz LKXMFAXNGSOPGZ-KOLCDFICSA-N -1 1 381.400 1.237 20 0 GDADMM O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571172168 952802084 /nfs/dbraw/zinc/80/20/84/952802084.db2.gz OGRREUSAWALAHL-QPHFJENPSA-N -1 1 380.456 1.273 20 0 GDADMM O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571172168 952802089 /nfs/dbraw/zinc/80/20/89/952802089.db2.gz OGRREUSAWALAHL-QPHFJENPSA-N -1 1 380.456 1.273 20 0 GDADMM O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571172169 952803360 /nfs/dbraw/zinc/80/33/60/952803360.db2.gz OGRREUSAWALAHL-YCLREWFLSA-N -1 1 380.456 1.273 20 0 GDADMM O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571172169 952803362 /nfs/dbraw/zinc/80/33/62/952803362.db2.gz OGRREUSAWALAHL-YCLREWFLSA-N -1 1 380.456 1.273 20 0 GDADMM O=C(N[C@]12CCC[C@H]1CN(c1nccnc1-c1nnn[n-]1)C2)[C@@H]1CC12CCC2 ZINC001571172514 952806768 /nfs/dbraw/zinc/80/67/68/952806768.db2.gz VVPARPSXCXJWTI-JMERFSKESA-N -1 1 380.456 1.322 20 0 GDADMM O=C(N[C@]12CCC[C@H]1CN(c1nccnc1-c1nn[n-]n1)C2)[C@@H]1CC12CCC2 ZINC001571172514 952806770 /nfs/dbraw/zinc/80/67/70/952806770.db2.gz VVPARPSXCXJWTI-JMERFSKESA-N -1 1 380.456 1.322 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)c3conc3C3CC3)C2)n1 ZINC001571174863 952816115 /nfs/dbraw/zinc/81/61/15/952816115.db2.gz KUEQTPMWDXNXCF-NSHDSACASA-N -1 1 381.400 1.157 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)c3conc3C3CC3)C2)n1 ZINC001571174863 952816121 /nfs/dbraw/zinc/81/61/21/952816121.db2.gz KUEQTPMWDXNXCF-NSHDSACASA-N -1 1 381.400 1.157 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)c3cc[nH]c3C)[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571183432 952877916 /nfs/dbraw/zinc/87/79/16/952877916.db2.gz ACGMNDWAYLXWAO-DGCLKSJQSA-N -1 1 381.444 1.571 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)c3cc[nH]c3C)[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571183432 952877921 /nfs/dbraw/zinc/87/79/21/952877921.db2.gz ACGMNDWAYLXWAO-DGCLKSJQSA-N -1 1 381.444 1.571 20 0 GDADMM CCc1nc(N[C@@H]2CC[C@H](CNC(=O)c3cc[nH]c3)C2)cc(-c2nnn[n-]2)n1 ZINC001571183464 952878323 /nfs/dbraw/zinc/87/83/23/952878323.db2.gz BAZZMNGZZBXIKR-WCQYABFASA-N -1 1 381.444 1.558 20 0 GDADMM CCc1nc(N[C@@H]2CC[C@H](CNC(=O)c3cc[nH]c3)C2)cc(-c2nn[n-]n2)n1 ZINC001571183464 952878327 /nfs/dbraw/zinc/87/83/27/952878327.db2.gz BAZZMNGZZBXIKR-WCQYABFASA-N -1 1 381.444 1.558 20 0 GDADMM CC(C)n1cccc1C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)[C@H]1C ZINC001571183829 952883419 /nfs/dbraw/zinc/88/34/19/952883419.db2.gz KNZJITJJDWZDPZ-CHWSQXEVSA-N -1 1 381.444 1.754 20 0 GDADMM CC(C)n1cccc1C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)[C@H]1C ZINC001571183829 952883420 /nfs/dbraw/zinc/88/34/20/952883420.db2.gz KNZJITJJDWZDPZ-CHWSQXEVSA-N -1 1 381.444 1.754 20 0 GDADMM CCc1nc(NC[C@@H]2CCN(C(=O)c3cc[nH]c3C)C2)cc(-c2nnn[n-]2)n1 ZINC001571184172 952889098 /nfs/dbraw/zinc/88/90/98/952889098.db2.gz SLIMXCOZDDDZQQ-LBPRGKRZSA-N -1 1 381.444 1.430 20 0 GDADMM CCc1nc(NC[C@@H]2CCN(C(=O)c3cc[nH]c3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571184172 952889103 /nfs/dbraw/zinc/88/91/03/952889103.db2.gz SLIMXCOZDDDZQQ-LBPRGKRZSA-N -1 1 381.444 1.430 20 0 GDADMM CCc1nc(NC[C@@H]2CCN(C(=O)c3[nH]ccc3C)C2)cc(-c2nnn[n-]2)n1 ZINC001571184294 952890773 /nfs/dbraw/zinc/89/07/73/952890773.db2.gz VPJXESCZTVTRQN-LBPRGKRZSA-N -1 1 381.444 1.430 20 0 GDADMM CCc1nc(NC[C@@H]2CCN(C(=O)c3[nH]ccc3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571184294 952890783 /nfs/dbraw/zinc/89/07/83/952890783.db2.gz VPJXESCZTVTRQN-LBPRGKRZSA-N -1 1 381.444 1.430 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CC[C@H](C)[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571184569 952895058 /nfs/dbraw/zinc/89/50/58/952895058.db2.gz AJKVWIFPIYZKPV-AAEUAGOBSA-N -1 1 381.444 1.504 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CC[C@H](C)[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571184569 952895065 /nfs/dbraw/zinc/89/50/65/952895065.db2.gz AJKVWIFPIYZKPV-AAEUAGOBSA-N -1 1 381.444 1.504 20 0 GDADMM CCn1ccc(C(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)[C@H]2C)c1C ZINC001571184790 952896551 /nfs/dbraw/zinc/89/65/51/952896551.db2.gz DBQGKROWZXTULF-OCCSQVGLSA-N -1 1 381.444 1.502 20 0 GDADMM CCn1ccc(C(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)[C@H]2C)c1C ZINC001571184790 952896558 /nfs/dbraw/zinc/89/65/58/952896558.db2.gz DBQGKROWZXTULF-OCCSQVGLSA-N -1 1 381.444 1.502 20 0 GDADMM CCn1cccc1C(=O)NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571185207 952900685 /nfs/dbraw/zinc/90/06/85/952900685.db2.gz JQMDWZUTOIYOMC-UHFFFAOYSA-N -1 1 381.444 1.125 20 0 GDADMM CCn1ccc(C(=O)N2C[C@H](C)[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1C ZINC001571185819 952904161 /nfs/dbraw/zinc/90/41/61/952904161.db2.gz QETQTOGKERAZOL-XHDPSFHLSA-N -1 1 381.444 1.359 20 0 GDADMM CCn1ccc(C(=O)N2C[C@H](C)[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1C ZINC001571185819 952904165 /nfs/dbraw/zinc/90/41/65/952904165.db2.gz QETQTOGKERAZOL-XHDPSFHLSA-N -1 1 381.444 1.359 20 0 GDADMM CCn1ccc(C(=O)N(C)[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)c1C ZINC001571186320 952906869 /nfs/dbraw/zinc/90/68/69/952906869.db2.gz WMTCYOPLAAPWHA-ZDUSSCGKSA-N -1 1 381.444 1.137 20 0 GDADMM CCn1ccc(C(=O)N(C)[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)c1C ZINC001571186320 952906872 /nfs/dbraw/zinc/90/68/72/952906872.db2.gz WMTCYOPLAAPWHA-ZDUSSCGKSA-N -1 1 381.444 1.137 20 0 GDADMM C[C@@H](NC(=O)c1cccn1C)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571186318 952907019 /nfs/dbraw/zinc/90/70/19/952907019.db2.gz WKTXXSWWXJGWEJ-GFCCVEGCSA-N -1 1 381.444 1.030 20 0 GDADMM C[C@@H](NC(=O)c1cccn1C)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571186318 952907025 /nfs/dbraw/zinc/90/70/25/952907025.db2.gz WKTXXSWWXJGWEJ-GFCCVEGCSA-N -1 1 381.444 1.030 20 0 GDADMM CCn1cccc1C(=O)N1C[C@H](C)[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571186652 952907478 /nfs/dbraw/zinc/90/74/78/952907478.db2.gz ZIGFWWVRHXKABD-STQMWFEESA-N -1 1 381.444 1.298 20 0 GDADMM CCn1cccc1C(=O)N1C[C@H](C)[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571186652 952907491 /nfs/dbraw/zinc/90/74/91/952907491.db2.gz ZIGFWWVRHXKABD-STQMWFEESA-N -1 1 381.444 1.298 20 0 GDADMM Cc1cc(C(=O)N[C@]2(C)CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c(C)n1C ZINC001571188003 952911181 /nfs/dbraw/zinc/91/11/81/952911181.db2.gz FNWRGKPPPOKRHX-GOSISDBHSA-N -1 1 381.444 1.011 20 0 GDADMM Cn1c(=O)[nH]c(NCCc2ccc(Cl)cc2Cl)c(-c2nn[n-]n2)c1=O ZINC001571190812 952944374 /nfs/dbraw/zinc/94/43/74/952944374.db2.gz MNPTUQISOUJMOZ-UHFFFAOYSA-N -1 1 382.211 1.627 20 0 GDADMM Cc1cccc(F)c1C(=O)N1CC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001571195628 952978197 /nfs/dbraw/zinc/97/81/97/952978197.db2.gz DDAHULCCAAGFKQ-LBPRGKRZSA-N -1 1 382.403 1.455 20 0 GDADMM Cc1cccc(F)c1C(=O)N1CC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001571195628 952978198 /nfs/dbraw/zinc/97/81/98/952978198.db2.gz DDAHULCCAAGFKQ-LBPRGKRZSA-N -1 1 382.403 1.455 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@H]2C)c(F)c1 ZINC001571196671 952983213 /nfs/dbraw/zinc/98/32/13/952983213.db2.gz MBQBVLXSRGKMPR-BXUZGUMPSA-N -1 1 382.403 1.819 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@H]2C)c(F)c1 ZINC001571196671 952983217 /nfs/dbraw/zinc/98/32/17/952983217.db2.gz MBQBVLXSRGKMPR-BXUZGUMPSA-N -1 1 382.403 1.819 20 0 GDADMM CN(C(=O)Cc1ccc(F)cc1)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571197125 952987000 /nfs/dbraw/zinc/98/70/00/952987000.db2.gz SKDQOGGQAWLNEO-CQSZACIVSA-N -1 1 382.403 1.076 20 0 GDADMM CN(C(=O)Cc1ccc(F)cc1)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571197125 952987003 /nfs/dbraw/zinc/98/70/03/952987003.db2.gz SKDQOGGQAWLNEO-CQSZACIVSA-N -1 1 382.403 1.076 20 0 GDADMM Cc1ccc(C(=O)NC2CC(CNc3ccnc(-c4nn[n-]n4)n3)C2)c(F)c1 ZINC001571197206 952987434 /nfs/dbraw/zinc/98/74/34/952987434.db2.gz UFULWHHDYLPGCB-UHFFFAOYSA-N -1 1 382.403 1.147 20 0 GDADMM C[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cccc(F)c1 ZINC001571197358 952988863 /nfs/dbraw/zinc/98/88/63/952988863.db2.gz XTVZKCGOWPQOIT-SMDDNHRTSA-N -1 1 382.403 1.901 20 0 GDADMM C[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cccc(F)c1 ZINC001571197358 952988868 /nfs/dbraw/zinc/98/88/68/952988868.db2.gz XTVZKCGOWPQOIT-SMDDNHRTSA-N -1 1 382.403 1.901 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cccc(F)c1 ZINC001571197364 952989855 /nfs/dbraw/zinc/98/98/55/952989855.db2.gz XWTATZMRKIBUOV-RISCZKNCSA-N -1 1 382.403 1.612 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cccc(F)c1 ZINC001571197364 952989856 /nfs/dbraw/zinc/98/98/56/952989856.db2.gz XWTATZMRKIBUOV-RISCZKNCSA-N -1 1 382.403 1.612 20 0 GDADMM CCc1occc1C(=O)N(CC)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571198779 952993940 /nfs/dbraw/zinc/99/39/40/952993940.db2.gz GJEUSCIMUCRORT-GFCCVEGCSA-N -1 1 382.428 1.553 20 0 GDADMM CCc1occc1C(=O)N(CC)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571198779 952993943 /nfs/dbraw/zinc/99/39/43/952993943.db2.gz GJEUSCIMUCRORT-GFCCVEGCSA-N -1 1 382.428 1.553 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@H](NC(=O)Cc3ccco3)C2)n1 ZINC001571199510 953000601 /nfs/dbraw/zinc/00/06/01/953000601.db2.gz TWLGXXHBBPCNND-LBPRGKRZSA-N -1 1 382.428 1.140 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@H](NC(=O)Cc3ccco3)C2)n1 ZINC001571199510 953000606 /nfs/dbraw/zinc/00/06/06/953000606.db2.gz TWLGXXHBBPCNND-LBPRGKRZSA-N -1 1 382.428 1.140 20 0 GDADMM CCc1nc(NC2(C)CCN(C(=O)c3ccco3)CC2)cc(-c2nnn[n-]2)n1 ZINC001571199572 953001429 /nfs/dbraw/zinc/00/14/29/953001429.db2.gz VNHBACDWHNVPEL-UHFFFAOYSA-N -1 1 382.428 1.919 20 0 GDADMM CCc1nc(NC2(C)CCN(C(=O)c3ccco3)CC2)cc(-c2nn[n-]n2)n1 ZINC001571199572 953001435 /nfs/dbraw/zinc/00/14/35/953001435.db2.gz VNHBACDWHNVPEL-UHFFFAOYSA-N -1 1 382.428 1.919 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)c(C)o1 ZINC001571200169 953007740 /nfs/dbraw/zinc/00/77/40/953007740.db2.gz BGCWXCXHCUGGSQ-QWHCGFSZSA-N -1 1 382.428 1.877 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)c(C)o1 ZINC001571200169 953007741 /nfs/dbraw/zinc/00/77/41/953007741.db2.gz BGCWXCXHCUGGSQ-QWHCGFSZSA-N -1 1 382.428 1.877 20 0 GDADMM Cc1cc(C(=O)N2CCCC[C@@H]2[C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)co1 ZINC001571200583 953011165 /nfs/dbraw/zinc/01/11/65/953011165.db2.gz FEOSPAXRKAQKAM-GXTWGEPZSA-N -1 1 382.428 1.475 20 0 GDADMM Cc1cocc1C(=O)N[C@H](C)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571201044 953013690 /nfs/dbraw/zinc/01/36/90/953013690.db2.gz IUMSVMDEWABVJN-GFCCVEGCSA-N -1 1 382.428 1.593 20 0 GDADMM Cc1cocc1C(=O)N[C@H](C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571201044 953013693 /nfs/dbraw/zinc/01/36/93/953013693.db2.gz IUMSVMDEWABVJN-GFCCVEGCSA-N -1 1 382.428 1.593 20 0 GDADMM CCCc1occc1C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571201400 953017027 /nfs/dbraw/zinc/01/70/27/953017027.db2.gz PSJBLBKCRFKCLT-LBPRGKRZSA-N -1 1 382.428 1.601 20 0 GDADMM CCCc1occc1C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571201400 953017030 /nfs/dbraw/zinc/01/70/30/953017030.db2.gz PSJBLBKCRFKCLT-LBPRGKRZSA-N -1 1 382.428 1.601 20 0 GDADMM CCCc1occc1C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571201399 953017856 /nfs/dbraw/zinc/01/78/56/953017856.db2.gz PSJBLBKCRFKCLT-GFCCVEGCSA-N -1 1 382.428 1.601 20 0 GDADMM CCCc1occc1C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571201399 953017858 /nfs/dbraw/zinc/01/78/58/953017858.db2.gz PSJBLBKCRFKCLT-GFCCVEGCSA-N -1 1 382.428 1.601 20 0 GDADMM C[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1ccco1 ZINC001571201898 953020574 /nfs/dbraw/zinc/02/05/74/953020574.db2.gz SNKZDYRSPUIOBK-STQMWFEESA-N -1 1 382.428 1.674 20 0 GDADMM C[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1ccco1 ZINC001571201898 953020581 /nfs/dbraw/zinc/02/05/81/953020581.db2.gz SNKZDYRSPUIOBK-STQMWFEESA-N -1 1 382.428 1.674 20 0 GDADMM Cc1ccoc1C(=O)N1CC[C@H](C)[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571202837 953028583 /nfs/dbraw/zinc/02/85/83/953028583.db2.gz ZMDTVCCEVYQUIM-WCQYABFASA-N -1 1 382.428 1.768 20 0 GDADMM Cc1ccoc1C(=O)N1CC[C@H](C)[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571202837 953028588 /nfs/dbraw/zinc/02/85/88/953028588.db2.gz ZMDTVCCEVYQUIM-WCQYABFASA-N -1 1 382.428 1.768 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NCC[C@H]2CCCCN2C(=O)c2cn[nH]c2)n1 ZINC001571205878 953043966 /nfs/dbraw/zinc/04/39/66/953043966.db2.gz CTWPCMXGHXSPEE-CYBMUJFWSA-N -1 1 382.432 1.185 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NCC[C@H]2CCCCN2C(=O)c2cn[nH]c2)n1 ZINC001571205878 953043970 /nfs/dbraw/zinc/04/39/70/953043970.db2.gz CTWPCMXGHXSPEE-CYBMUJFWSA-N -1 1 382.432 1.185 20 0 GDADMM CC[C@H](C)n1nccc1C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571206796 953056612 /nfs/dbraw/zinc/05/66/12/953056612.db2.gz XJTLVPGIGJFUKU-SDDRHHMPSA-N -1 1 382.432 1.197 20 0 GDADMM CC[C@H](C)n1nccc1C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571206796 953056617 /nfs/dbraw/zinc/05/66/17/953056617.db2.gz XJTLVPGIGJFUKU-SDDRHHMPSA-N -1 1 382.432 1.197 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2[C@H](C)CCCN2C(=O)c2cn[nH]c2)n1 ZINC001571207245 953060724 /nfs/dbraw/zinc/06/07/24/953060724.db2.gz OYRNMVVLPKZGGI-QMTHXVAHSA-N -1 1 382.432 1.041 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2[C@H](C)CCCN2C(=O)c2cn[nH]c2)n1 ZINC001571207245 953060727 /nfs/dbraw/zinc/06/07/27/953060727.db2.gz OYRNMVVLPKZGGI-QMTHXVAHSA-N -1 1 382.432 1.041 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3[C@@H](CNC(=O)c4cccs4)[C@@H]3C2)n1 ZINC001571210903 953076648 /nfs/dbraw/zinc/07/66/48/953076648.db2.gz ZUWZXPVGAPQBQR-CNDDSTCGSA-N -1 1 382.453 1.139 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3[C@@H](CNC(=O)c4cccs4)[C@@H]3C2)n1 ZINC001571210903 953076650 /nfs/dbraw/zinc/07/66/50/953076650.db2.gz ZUWZXPVGAPQBQR-CNDDSTCGSA-N -1 1 382.453 1.139 20 0 GDADMM CN(C[C@@H]1CCCN(C(=O)[C@H]2CC23CCC3)C1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571211542 953077674 /nfs/dbraw/zinc/07/76/74/953077674.db2.gz BBWBBDXLKNOTBB-UONOGXRCSA-N -1 1 382.472 1.522 20 0 GDADMM CN(C[C@@H]1CCCN(C(=O)[C@H]2CC23CCC3)C1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571211542 953077676 /nfs/dbraw/zinc/07/76/76/953077676.db2.gz BBWBBDXLKNOTBB-UONOGXRCSA-N -1 1 382.472 1.522 20 0 GDADMM CCC1(C(=O)N2CC[C@@]3(CCN(c4cnc(-c5nnn[n-]5)cn4)C3)C2)CCC1 ZINC001571211582 953078823 /nfs/dbraw/zinc/07/88/23/953078823.db2.gz CHDPSFCVILDILD-GOSISDBHSA-N -1 1 382.472 1.666 20 0 GDADMM CCC1(C(=O)N2CC[C@@]3(CCN(c4cnc(-c5nn[n-]n5)cn4)C3)C2)CCC1 ZINC001571211582 953078824 /nfs/dbraw/zinc/07/88/24/953078824.db2.gz CHDPSFCVILDILD-GOSISDBHSA-N -1 1 382.472 1.666 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](CNC(=O)[C@H]3C[C@H]4C[C@H]4C3)C2)n1 ZINC001571211719 953080396 /nfs/dbraw/zinc/08/03/96/953080396.db2.gz DEKMVMGCUIHIIF-BYNSBNAKSA-N -1 1 382.472 1.344 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](CNC(=O)[C@H]3C[C@H]4C[C@H]4C3)C2)n1 ZINC001571211719 953080399 /nfs/dbraw/zinc/08/03/99/953080399.db2.gz DEKMVMGCUIHIIF-BYNSBNAKSA-N -1 1 382.472 1.344 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N1CCC2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001571212283 953086065 /nfs/dbraw/zinc/08/60/65/953086065.db2.gz KPVNBEHHSKYPBL-CYBMUJFWSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N1CCC2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001571212283 953086069 /nfs/dbraw/zinc/08/60/69/953086069.db2.gz KPVNBEHHSKYPBL-CYBMUJFWSA-N -1 1 382.472 1.522 20 0 GDADMM CN(C[C@@H]1CCCN1C(=O)C[C@@H]1C[C@H]1C1CC1)c1nccnc1-c1nnn[n-]1 ZINC001571212289 953087363 /nfs/dbraw/zinc/08/73/63/953087363.db2.gz KSGMEEOAYKKFQV-KKUMJFAQSA-N -1 1 382.472 1.520 20 0 GDADMM CN(C[C@@H]1CCCN1C(=O)C[C@@H]1C[C@H]1C1CC1)c1nccnc1-c1nn[n-]n1 ZINC001571212289 953087367 /nfs/dbraw/zinc/08/73/67/953087367.db2.gz KSGMEEOAYKKFQV-KKUMJFAQSA-N -1 1 382.472 1.520 20 0 GDADMM C[C@@H]1C[C@@H]1C(=O)N1CCC2(CC1)CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001571212305 953087505 /nfs/dbraw/zinc/08/75/05/953087505.db2.gz LCERVSPKZONHQN-KGLIPLIRSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H]1C[C@@H]1C(=O)N1CCC2(CC1)CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001571212305 953087508 /nfs/dbraw/zinc/08/75/08/953087508.db2.gz LCERVSPKZONHQN-KGLIPLIRSA-N -1 1 382.472 1.522 20 0 GDADMM CCc1nc(NCC2CC(NC(=O)C3(C4CC4)CC3)C2)cc(-c2nnn[n-]2)n1 ZINC001571212535 953089473 /nfs/dbraw/zinc/08/94/73/953089473.db2.gz MXTOBHJNWKFHCB-UHFFFAOYSA-N -1 1 382.472 1.716 20 0 GDADMM CCc1nc(NCC2CC(NC(=O)C3(C4CC4)CC3)C2)cc(-c2nn[n-]n2)n1 ZINC001571212535 953089479 /nfs/dbraw/zinc/08/94/79/953089479.db2.gz MXTOBHJNWKFHCB-UHFFFAOYSA-N -1 1 382.472 1.716 20 0 GDADMM CN(C(=O)[C@H]1CC12CCCC2)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571213325 953094095 /nfs/dbraw/zinc/09/40/95/953094095.db2.gz RJMVVRXMNMTDQP-CQSZACIVSA-N -1 1 382.472 1.664 20 0 GDADMM CN(C(=O)[C@H]1CC12CCCC2)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571213325 953094097 /nfs/dbraw/zinc/09/40/97/953094097.db2.gz RJMVVRXMNMTDQP-CQSZACIVSA-N -1 1 382.472 1.664 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)[C@H]3CC34CC4)[C@H]2CC)n1 ZINC001571214044 953098749 /nfs/dbraw/zinc/09/87/49/953098749.db2.gz VRSYPGFXZRRQRH-MBNYWOFBSA-N -1 1 382.472 1.493 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)[C@H]3CC34CC4)[C@H]2CC)n1 ZINC001571214044 953098751 /nfs/dbraw/zinc/09/87/51/953098751.db2.gz VRSYPGFXZRRQRH-MBNYWOFBSA-N -1 1 382.472 1.493 20 0 GDADMM C[C@H]1CCC[C@@]1(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001571214448 953101609 /nfs/dbraw/zinc/10/16/09/953101609.db2.gz YSKPKAFTTOQOGC-WZFJYNIESA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H]1CCC[C@@]1(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001571214448 953101611 /nfs/dbraw/zinc/10/16/11/953101611.db2.gz YSKPKAFTTOQOGC-WZFJYNIESA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H]1CCC[C@]1(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001571214445 953101711 /nfs/dbraw/zinc/10/17/11/953101711.db2.gz YSKPKAFTTOQOGC-PJHJGJPPSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H]1CCC[C@]1(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001571214445 953101713 /nfs/dbraw/zinc/10/17/13/953101713.db2.gz YSKPKAFTTOQOGC-PJHJGJPPSA-N -1 1 382.472 1.663 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)C[C@@H]2C[C@H]2C2CC2)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571214339 953101778 /nfs/dbraw/zinc/10/17/78/953101778.db2.gz XRTAHDUGCJZTAQ-QEJZJMRPSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H]1CN(C(=O)C23CCC(CC2)C3)CC[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571214462 953102469 /nfs/dbraw/zinc/10/24/69/953102469.db2.gz ZANXLVUFDJUOFW-GWMLXNDSSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@@H]1CN(C(=O)C23CCC(CC2)C3)CC[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571214462 953102472 /nfs/dbraw/zinc/10/24/72/953102472.db2.gz ZANXLVUFDJUOFW-GWMLXNDSSA-N -1 1 382.472 1.886 20 0 GDADMM O=C(NC[C@@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1)[C@@H]1C[C@H]1C1CCC1 ZINC001571216725 953103870 /nfs/dbraw/zinc/10/38/70/953103870.db2.gz ADBUOARLXKJTAY-SOUVJXGZSA-N -1 1 382.472 1.568 20 0 GDADMM O=C(N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001571216794 953104752 /nfs/dbraw/zinc/10/47/52/953104752.db2.gz AOTSVICXHRXLOG-KBXIAJHMSA-N -1 1 382.472 1.568 20 0 GDADMM O=C(N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001571216794 953104755 /nfs/dbraw/zinc/10/47/55/953104755.db2.gz AOTSVICXHRXLOG-KBXIAJHMSA-N -1 1 382.472 1.568 20 0 GDADMM O=C([C@@H]1CC2CCC1CC2)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571216892 953104977 /nfs/dbraw/zinc/10/49/77/953104977.db2.gz BNPVZUVKGSJWJF-YMAMQOFZSA-N -1 1 382.472 1.522 20 0 GDADMM O=C(CC1CCC1)N1CCC2(C1)CCN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001571217965 953111790 /nfs/dbraw/zinc/11/17/90/953111790.db2.gz JOBYVCHLIXXTFQ-UHFFFAOYSA-N -1 1 382.472 1.666 20 0 GDADMM O=C([C@H]1CC[C@@H]2C[C@@H]2CC1)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571218072 953113124 /nfs/dbraw/zinc/11/31/24/953113124.db2.gz LEGBQKRONDTDRH-LXTVHRRPSA-N -1 1 382.472 1.886 20 0 GDADMM O=C([C@H]1CC[C@@H]2C[C@@H]2CC1)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571218072 953113125 /nfs/dbraw/zinc/11/31/25/953113125.db2.gz LEGBQKRONDTDRH-LXTVHRRPSA-N -1 1 382.472 1.886 20 0 GDADMM O=C(C1CCC2(CC2)CC1)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571218490 953115834 /nfs/dbraw/zinc/11/58/34/953115834.db2.gz PFDBBPJOBFAJEC-AWEZNQCLSA-N -1 1 382.472 1.452 20 0 GDADMM O=C(c1ncccc1F)N1CCC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571218579 953117279 /nfs/dbraw/zinc/11/72/79/953117279.db2.gz BXBNKYQCUHARPE-LLVKDONJSA-N -1 1 383.391 1.155 20 0 GDADMM O=C(c1ncccc1F)N1CCC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571218579 953117282 /nfs/dbraw/zinc/11/72/82/953117282.db2.gz BXBNKYQCUHARPE-LLVKDONJSA-N -1 1 383.391 1.155 20 0 GDADMM O=C(N[C@@H]1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1)C1CCCC1 ZINC001571218770 953119023 /nfs/dbraw/zinc/11/90/23/953119023.db2.gz QTMSQRRMFOFOGX-RRFJBIMHSA-N -1 1 382.472 1.568 20 0 GDADMM O=C(N[C@@H]1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1)C1CCCC1 ZINC001571218770 953119026 /nfs/dbraw/zinc/11/90/26/953119026.db2.gz QTMSQRRMFOFOGX-RRFJBIMHSA-N -1 1 382.472 1.568 20 0 GDADMM O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nnn[n-]3)cn1)C2)C1CCCCC1 ZINC001571219111 953122522 /nfs/dbraw/zinc/12/25/22/953122522.db2.gz VOFACSUFFZDTMM-CFVMTHIKSA-N -1 1 382.472 1.711 20 0 GDADMM O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nn[n-]n3)cn1)C2)C1CCCCC1 ZINC001571219111 953122526 /nfs/dbraw/zinc/12/25/26/953122526.db2.gz VOFACSUFFZDTMM-CFVMTHIKSA-N -1 1 382.472 1.711 20 0 GDADMM O=S1(=O)C[C@H](CNc2snc(Cl)c2-c2nnn[n-]2)c2ccccc21 ZINC001571219115 953122615 /nfs/dbraw/zinc/12/26/15/953122615.db2.gz VPSBFRJAYKXLES-ZETCQYMHSA-N -1 1 382.858 1.960 20 0 GDADMM O=S1(=O)C[C@H](CNc2snc(Cl)c2-c2nn[n-]n2)c2ccccc21 ZINC001571219115 953122617 /nfs/dbraw/zinc/12/26/17/953122617.db2.gz VPSBFRJAYKXLES-ZETCQYMHSA-N -1 1 382.858 1.960 20 0 GDADMM O=C(NC[C@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1)[C@H]1CCCC12CC2 ZINC001571219427 953125728 /nfs/dbraw/zinc/12/57/28/953125728.db2.gz ZNFBHDBUIAPGNA-ZIAGYGMSSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(NC[C@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1)[C@H]1CCCC12CC2 ZINC001571219427 953125731 /nfs/dbraw/zinc/12/57/31/953125731.db2.gz ZNFBHDBUIAPGNA-ZIAGYGMSSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)[C@@H]1CCCC2(CC2)C1 ZINC001571219392 953126140 /nfs/dbraw/zinc/12/61/40/953126140.db2.gz YVIWHZZKRHODGX-UONOGXRCSA-N -1 1 382.472 1.570 20 0 GDADMM O=C(NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)[C@@H]1CCCC2(CC2)C1 ZINC001571219392 953126143 /nfs/dbraw/zinc/12/61/43/953126143.db2.gz YVIWHZZKRHODGX-UONOGXRCSA-N -1 1 382.472 1.570 20 0 GDADMM CCc1nc(C(=O)N2CC[C@@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)[C@@H]2C)co1 ZINC001571222213 953132275 /nfs/dbraw/zinc/13/22/75/953132275.db2.gz FRKAOCGXUQZWPH-WDEREUQCSA-N -1 1 383.416 1.231 20 0 GDADMM CCc1nc(C(=O)N2CC[C@@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)[C@@H]2C)co1 ZINC001571222213 953132278 /nfs/dbraw/zinc/13/22/78/953132278.db2.gz FRKAOCGXUQZWPH-WDEREUQCSA-N -1 1 383.416 1.231 20 0 GDADMM CCc1oncc1C(=O)NC1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571222760 953138349 /nfs/dbraw/zinc/13/83/49/953138349.db2.gz LJKXRXOPCUNMCT-UHFFFAOYSA-N -1 1 383.416 1.360 20 0 GDADMM CCc1oncc1C(=O)NC1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571222760 953138352 /nfs/dbraw/zinc/13/83/52/953138352.db2.gz LJKXRXOPCUNMCT-UHFFFAOYSA-N -1 1 383.416 1.360 20 0 GDADMM CCc1ocnc1C(=O)N1C[C@H](C)[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571223074 953141439 /nfs/dbraw/zinc/14/14/39/953141439.db2.gz QCGPZVOHXICLKQ-QWRGUYRKSA-N -1 1 383.416 1.027 20 0 GDADMM CCc1ocnc1C(=O)N1C[C@H](C)[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571223074 953141442 /nfs/dbraw/zinc/14/14/42/953141442.db2.gz QCGPZVOHXICLKQ-QWRGUYRKSA-N -1 1 383.416 1.027 20 0 GDADMM CCc1nc(C(=O)N2CC[C@](C)(CNc3cnc(-c4nnn[n-]4)cn3)C2)co1 ZINC001571223172 953142483 /nfs/dbraw/zinc/14/24/83/953142483.db2.gz PERSTGBMHDULJI-QGZVFWFLSA-N -1 1 383.416 1.171 20 0 GDADMM CCc1nc(C(=O)N2CC[C@](C)(CNc3cnc(-c4nn[n-]n4)cn3)C2)co1 ZINC001571223172 953142486 /nfs/dbraw/zinc/14/24/86/953142486.db2.gz PERSTGBMHDULJI-QGZVFWFLSA-N -1 1 383.416 1.171 20 0 GDADMM CCc1cc(C(=O)N2CC[C@@H](Nc3cc(-c4nnn[n-]4)nc(CC)n3)C2)no1 ZINC001571223527 953145362 /nfs/dbraw/zinc/14/53/62/953145362.db2.gz UCZQNIGMLJTWJN-SNVBAGLBSA-N -1 1 383.416 1.096 20 0 GDADMM CCc1cc(C(=O)N2CC[C@@H](Nc3cc(-c4nn[n-]n4)nc(CC)n3)C2)no1 ZINC001571223527 953145364 /nfs/dbraw/zinc/14/53/64/953145364.db2.gz UCZQNIGMLJTWJN-SNVBAGLBSA-N -1 1 383.416 1.096 20 0 GDADMM Cc1cc(C(=O)N2C[C@@H](C)[C@H](CCNc3cnc(-c4nnn[n-]4)cn3)C2)on1 ZINC001571224767 953151459 /nfs/dbraw/zinc/15/14/59/953151459.db2.gz FRFOSVQZQMBQRI-ZYHUDNBSSA-N -1 1 383.416 1.163 20 0 GDADMM Cc1cc(C(=O)N2C[C@@H](C)[C@H](CCNc3cnc(-c4nn[n-]n4)cn3)C2)on1 ZINC001571224767 953151463 /nfs/dbraw/zinc/15/14/63/953151463.db2.gz FRFOSVQZQMBQRI-ZYHUDNBSSA-N -1 1 383.416 1.163 20 0 GDADMM Cc1conc1C(=O)N1CCC[C@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571225587 953153022 /nfs/dbraw/zinc/15/30/22/953153022.db2.gz KRRVILSCJZCDRE-NEPJUHHUSA-N -1 1 383.416 1.306 20 0 GDADMM Cc1conc1C(=O)N1CCC[C@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571225587 953153023 /nfs/dbraw/zinc/15/30/23/953153023.db2.gz KRRVILSCJZCDRE-NEPJUHHUSA-N -1 1 383.416 1.306 20 0 GDADMM Cc1nsc(N2CCC[C@@H]2CNC(=O)[C@@H]2CCC2(F)F)c1-c1nn[n-]n1 ZINC001571230050 953173685 /nfs/dbraw/zinc/17/36/85/953173685.db2.gz RMBDDKPWACUMMY-ZJUUUORDSA-N -1 1 383.428 1.762 20 0 GDADMM Cc1nsc(N2CCCC[C@H]2CNC(=O)[C@H]2CC2(F)F)c1-c1nn[n-]n1 ZINC001571230379 953176699 /nfs/dbraw/zinc/17/66/99/953176699.db2.gz WPZQEVGHRPMTKK-VHSXEESVSA-N -1 1 383.428 1.762 20 0 GDADMM O=C(NC[C@@H]1CCCN1c1nc(-c2nn[n-]n2)c(Cl)s1)[C@H]1CCCO1 ZINC001571234515 953202785 /nfs/dbraw/zinc/20/27/85/953202785.db2.gz ANPCAWNWFMQLIF-DTWKUNHWSA-N -1 1 383.865 1.241 20 0 GDADMM COc1ccc(C(=O)N2CCC[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)o1 ZINC001571238026 953224542 /nfs/dbraw/zinc/22/45/42/953224542.db2.gz RNKAPVDBCIVJHR-NSHDSACASA-N -1 1 384.400 1.223 20 0 GDADMM COc1ccc(C(=O)N2CCC[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)o1 ZINC001571238026 953224547 /nfs/dbraw/zinc/22/45/47/953224547.db2.gz RNKAPVDBCIVJHR-NSHDSACASA-N -1 1 384.400 1.223 20 0 GDADMM O=C(c1[nH]c2ccccc2c1-c1nn[n-]n1)N1CCC(CCO)(CCO)CC1 ZINC001571242211 953253596 /nfs/dbraw/zinc/25/35/96/953253596.db2.gz WPYUBKBOJQXJNX-UHFFFAOYSA-N -1 1 384.440 1.335 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2=COCCC2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571242752 953259206 /nfs/dbraw/zinc/25/92/06/953259206.db2.gz NGHDDXUMGUZQFO-TZMCWYRMSA-N -1 1 384.444 1.390 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2=COCCC2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571242752 953259211 /nfs/dbraw/zinc/25/92/11/953259211.db2.gz NGHDDXUMGUZQFO-TZMCWYRMSA-N -1 1 384.444 1.390 20 0 GDADMM CCc1ccsc1C(=O)N[C@@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571244558 953265192 /nfs/dbraw/zinc/26/51/92/953265192.db2.gz AQKRKYOSOXKZBQ-KRWDZBQOSA-N -1 1 384.469 1.679 20 0 GDADMM CCc1ccsc1C(=O)N[C@@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571244558 953265194 /nfs/dbraw/zinc/26/51/94/953265194.db2.gz AQKRKYOSOXKZBQ-KRWDZBQOSA-N -1 1 384.469 1.679 20 0 GDADMM Cc1cc(C)c(CC(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)s1 ZINC001571245797 953276947 /nfs/dbraw/zinc/27/69/47/953276947.db2.gz ZBOUQWQJKRZFDE-GFCCVEGCSA-N -1 1 384.469 1.273 20 0 GDADMM Cc1cc(C)c(CC(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)s1 ZINC001571245797 953276951 /nfs/dbraw/zinc/27/69/51/953276951.db2.gz ZBOUQWQJKRZFDE-GFCCVEGCSA-N -1 1 384.469 1.273 20 0 GDADMM Cc1sccc1CC(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC001571247570 953283479 /nfs/dbraw/zinc/28/34/79/953283479.db2.gz AJLXOZVUEKDISX-GXFFZTMASA-N -1 1 384.469 1.671 20 0 GDADMM Cc1sccc1CC(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)[C@@H]1C ZINC001571247570 953283480 /nfs/dbraw/zinc/28/34/80/953283480.db2.gz AJLXOZVUEKDISX-GXFFZTMASA-N -1 1 384.469 1.671 20 0 GDADMM Cc1sccc1C(=O)N[C@@H]1CC[C@@H](C)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571248361 953292898 /nfs/dbraw/zinc/29/28/98/953292898.db2.gz RPDZSURTGWIFQO-ZYHUDNBSSA-N -1 1 384.469 1.814 20 0 GDADMM Cc1sccc1C(=O)N[C@@H]1CC[C@@H](C)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571248361 953292901 /nfs/dbraw/zinc/29/29/01/953292901.db2.gz RPDZSURTGWIFQO-ZYHUDNBSSA-N -1 1 384.469 1.814 20 0 GDADMM C[C@H]1CCN(C(=O)C2CC(C)(C)C2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571249176 953301296 /nfs/dbraw/zinc/30/12/96/953301296.db2.gz FJYVKLLXYRZYNR-JSGCOSHPSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H]1CCN(C(=O)C2CC(C)(C)C2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571249176 953301300 /nfs/dbraw/zinc/30/13/00/953301300.db2.gz FJYVKLLXYRZYNR-JSGCOSHPSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1)C1CCC1 ZINC001571249144 953301528 /nfs/dbraw/zinc/30/15/28/953301528.db2.gz DWDCSFHJIWFYMH-UKRRQHHQSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1)C1CCC1 ZINC001571249144 953301533 /nfs/dbraw/zinc/30/15/33/953301533.db2.gz DWDCSFHJIWFYMH-UKRRQHHQSA-N -1 1 384.488 1.910 20 0 GDADMM CC1(C)CCC(C(=O)N2CCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571249465 953305524 /nfs/dbraw/zinc/30/55/24/953305524.db2.gz JINHNJCRCHQDOO-CQSZACIVSA-N -1 1 384.488 1.698 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H](C)[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1)C1CC1 ZINC001571249667 953306659 /nfs/dbraw/zinc/30/66/59/953306659.db2.gz KGKXASNVOZNODD-UMVBOHGHSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H](C)[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1)C1CC1 ZINC001571249667 953306663 /nfs/dbraw/zinc/30/66/63/953306663.db2.gz KGKXASNVOZNODD-UMVBOHGHSA-N -1 1 384.488 1.989 20 0 GDADMM CC[C@H](CC1CCCC1)C(=O)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571249721 953307071 /nfs/dbraw/zinc/30/70/71/953307071.db2.gz KWTSAAQHUUIGHR-OAHLLOKOSA-N -1 1 384.488 1.912 20 0 GDADMM CCC(C)(C)C(=O)N1CCC2(CCN(c3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001571249723 953307224 /nfs/dbraw/zinc/30/72/24/953307224.db2.gz KXJLJWHZHGOEDS-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CCC(C)(C)C(=O)N1CCC2(CCN(c3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001571249723 953307225 /nfs/dbraw/zinc/30/72/25/953307225.db2.gz KXJLJWHZHGOEDS-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)[C@H]1CC[C@H](C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001571250069 953307678 /nfs/dbraw/zinc/30/76/78/953307678.db2.gz NRLCFBSJQCFMGA-RBSFLKMASA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)[C@H]1CC[C@H](C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001571250069 953307683 /nfs/dbraw/zinc/30/76/83/953307683.db2.gz NRLCFBSJQCFMGA-RBSFLKMASA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)CCCC[C@@H]1C(=O)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571250045 953308193 /nfs/dbraw/zinc/30/81/93/953308193.db2.gz NNRMXSFMSZHLMZ-CQSZACIVSA-N -1 1 384.488 1.912 20 0 GDADMM CC1(C)CCCC[C@@H]1C(=O)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571250045 953308198 /nfs/dbraw/zinc/30/81/98/953308198.db2.gz NNRMXSFMSZHLMZ-CQSZACIVSA-N -1 1 384.488 1.912 20 0 GDADMM CCC(CC)C(=O)N1CCC[C@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571250665 953312297 /nfs/dbraw/zinc/31/22/97/953312297.db2.gz RVKIRPGVZGCKPT-LJQANCHMSA-N -1 1 384.488 1.912 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)[C@H]3CC[C@H](C)CC3)C2)n1 ZINC001571252697 953331870 /nfs/dbraw/zinc/33/18/70/953331870.db2.gz UGJHWYYVNLZRCZ-IHRRRGAJSA-N -1 1 384.488 1.740 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)[C@H]3CC[C@H](C)CC3)C2)n1 ZINC001571252697 953331872 /nfs/dbraw/zinc/33/18/72/953331872.db2.gz UGJHWYYVNLZRCZ-IHRRRGAJSA-N -1 1 384.488 1.740 20 0 GDADMM CCN(CC1CCN(C(=O)[C@@H]2CC2(C)C)CC1)c1nccnc1-c1nnn[n-]1 ZINC001571252654 953332358 /nfs/dbraw/zinc/33/23/58/953332358.db2.gz SOLLFKORSRRWAR-AWEZNQCLSA-N -1 1 384.488 1.768 20 0 GDADMM CCN(CC1CCN(C(=O)[C@@H]2CC2(C)C)CC1)c1nccnc1-c1nn[n-]n1 ZINC001571252654 953332363 /nfs/dbraw/zinc/33/23/63/953332363.db2.gz SOLLFKORSRRWAR-AWEZNQCLSA-N -1 1 384.488 1.768 20 0 GDADMM CC1(C)CN(c2ccnc(-c3nn[n-]n3)n2)CC[C@H]1NC(=O)c1cc(F)c[nH]1 ZINC001571254832 953343480 /nfs/dbraw/zinc/34/34/80/953343480.db2.gz KOUORKSFNIHBBH-GFCCVEGCSA-N -1 1 385.407 1.159 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H]1CCCCN1C(=O)c1cc(F)c[nH]1 ZINC001571256126 953363408 /nfs/dbraw/zinc/36/34/08/953363408.db2.gz YOMZOZYIXOFQGT-ZWNOBZJWSA-N -1 1 385.407 1.619 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H]1CCCCN1C(=O)c1cc(F)c[nH]1 ZINC001571256126 953363414 /nfs/dbraw/zinc/36/34/14/953363414.db2.gz YOMZOZYIXOFQGT-ZWNOBZJWSA-N -1 1 385.407 1.619 20 0 GDADMM C[C@H](Nc1nccnc1-c1nnn[n-]1)[C@@H]1CCCCN1C(=O)c1cc(F)c[nH]1 ZINC001571256123 953364538 /nfs/dbraw/zinc/36/45/38/953364538.db2.gz YOMZOZYIXOFQGT-GWCFXTLKSA-N -1 1 385.407 1.619 20 0 GDADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)[C@@H]1CCCCN1C(=O)c1cc(F)c[nH]1 ZINC001571256123 953364546 /nfs/dbraw/zinc/36/45/46/953364546.db2.gz YOMZOZYIXOFQGT-GWCFXTLKSA-N -1 1 385.407 1.619 20 0 GDADMM CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)CN(C)C[C@@H](C)C(=O)[O-] ZINC000567989514 953642664 /nfs/dbraw/zinc/64/26/64/953642664.db2.gz JHNNTXDYKWNICT-CYBMUJFWSA-N -1 1 388.424 1.640 20 0 GDADMM COc1cccc(NC(=O)CN(C)C(=O)CN2CC[C@H](C(=O)[O-])[C@H](C)C2)c1 ZINC000629501198 953830307 /nfs/dbraw/zinc/83/03/07/953830307.db2.gz KZRXWCNKBUCAPL-CJNGLKHVSA-N -1 1 377.441 1.135 20 0 GDADMM O=C([O-])[C@]1(C(=O)NCCCCN2CCN(c3ncccn3)CC2)CC=CCC1 ZINC000653292264 954100175 /nfs/dbraw/zinc/10/01/75/954100175.db2.gz YRASEQGTKKPGDB-HXUWFJFHSA-N -1 1 387.484 1.306 20 0 GDADMM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cc1cnccc1Cl ZINC001594889735 954506647 /nfs/dbraw/zinc/50/66/47/954506647.db2.gz MHTWYXOXFLCKKX-JQWIXIFHSA-N -1 1 393.749 1.400 20 0 GDADMM O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1coc(C2CCC2)n1 ZINC001594891533 954532991 /nfs/dbraw/zinc/53/29/91/954532991.db2.gz WHSOLLAJOYNFGO-GXSJLCMTSA-N -1 1 389.330 1.678 20 0 GDADMM O=C([O-])[C@@H]1CC(=O)N(C2CCN(Cc3ncc(Br)cc3O)CC2)C1 ZINC001594898037 954587911 /nfs/dbraw/zinc/58/79/11/954587911.db2.gz GTWOCAAPYNJGCT-SNVBAGLBSA-N -1 1 398.257 1.447 20 0 GDADMM O=C([O-])[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH]ncc32)C1=O 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MXRUTDFJRFMCCU-NEPJUHHUSA-N -1 1 376.306 1.892 20 0 GDADMM COc1ccc(F)cc1C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000852957677 955887888 /nfs/dbraw/zinc/88/78/88/955887888.db2.gz RIOCKTHMBVYWPQ-ZYHUDNBSSA-N -1 1 392.305 1.571 20 0 GDADMM O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1Cc1cccc2c1CCOC2 ZINC000873643220 956075638 /nfs/dbraw/zinc/07/56/38/956075638.db2.gz HBEBIIZZRJIYLJ-HUUCEWRRSA-N -1 1 386.370 1.855 20 0 GDADMM Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(CC(=O)NCc3cc(F)cc(F)c3)C2)cn1 ZINC000873643683 956077743 /nfs/dbraw/zinc/07/77/43/956077743.db2.gz KOUCSEKGJFNNLX-KGLIPLIRSA-N -1 1 392.406 1.505 20 0 GDADMM COC[C@@]1(C(=O)[O-])CCN([C@H](C)C(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1 ZINC001593967103 956562786 /nfs/dbraw/zinc/56/27/86/956562786.db2.gz PHUDJVLSFANUTI-QLJPJBMISA-N -1 1 386.351 1.758 20 0 GDADMM O=C([O-])[C@@H](NC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O)c1ccc(F)cc1 ZINC001594697151 956782094 /nfs/dbraw/zinc/78/20/94/956782094.db2.gz WALYAYLOQLGBBF-KRWDZBQOSA-N -1 1 397.362 1.339 20 0 GDADMM CCN(C)[C@H](C(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1)c1ccccc1 ZINC000902745939 956791547 /nfs/dbraw/zinc/79/15/47/956791547.db2.gz BPVJUNFGEUDLJS-GWWPLSDWSA-N -1 1 388.464 1.792 20 0 GDADMM COCCN(CCC(=O)[O-])C(=O)c1c[nH]c2cc(OC)cc(OC)c2c1=O ZINC001594006649 956977839 /nfs/dbraw/zinc/97/78/39/956977839.db2.gz IISIZBGAUVPPKX-UHFFFAOYSA-N -1 1 378.381 1.109 20 0 GDADMM COCCN(CCC(=O)[O-])Cc1c[nH]nc1CN1C(=O)c2ccccc2C1=O ZINC001594011262 956996734 /nfs/dbraw/zinc/99/67/34/956996734.db2.gz ZAOMZQRQCUSELP-UHFFFAOYSA-N -1 1 386.408 1.129 20 0 GDADMM C[C@H]1CN(Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000389828656 972250427 /nfs/dbraw/zinc/25/04/27/972250427.db2.gz VONWHASNXBIBPM-BBRMVZONSA-N -1 1 377.466 1.522 20 0 GDADMM Cc1nn(-c2ccccn2)c(C)c1CN1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001326419502 957322102 /nfs/dbraw/zinc/32/21/02/957322102.db2.gz XZEXUYFRPXLZNT-INIZCTEOSA-N -1 1 397.479 1.782 20 0 GDADMM Cc1cc(NC(=O)CN2C[C@H](C)C[C@H](C(=O)[O-])C2)n(-c2nc(C)cc(C)n2)n1 ZINC001594305862 957965446 /nfs/dbraw/zinc/96/54/46/957965446.db2.gz LHUXEKVJHNRNKU-ABAIWWIYSA-N -1 1 386.456 1.569 20 0 GDADMM CCN1CCN(c2ccc(CNC(=O)[C@H]3CO[C@@H](CCC(=O)[O-])C3)cn2)CC1 ZINC001353915958 958162045 /nfs/dbraw/zinc/16/20/45/958162045.db2.gz PUJJCEIPGUDCJC-SJORKVTESA-N -1 1 390.484 1.110 20 0 GDADMM CCN1CCN(c2ccc(CNC(=O)[C@H]3CO[C@H](CCC(=O)[O-])C3)cn2)CC1 ZINC001353915954 958163073 /nfs/dbraw/zinc/16/30/73/958163073.db2.gz PUJJCEIPGUDCJC-IAGOWNOFSA-N -1 1 390.484 1.110 20 0 GDADMM COc1cc2c(cc1S(=O)(=O)Nc1ccccc1CC(=O)[O-])OCC(=O)N2 ZINC001594069951 958173209 /nfs/dbraw/zinc/17/32/09/958173209.db2.gz QPPZZDSHPFSTLZ-UHFFFAOYSA-N -1 1 392.389 1.454 20 0 GDADMM COc1ccc(C)cc1NC(=O)CNC(=O)CN1CCC[C@H](CCC(=O)[O-])C1 ZINC001594082488 958275137 /nfs/dbraw/zinc/27/51/37/958275137.db2.gz CVTIXQJFRMGQCP-OAHLLOKOSA-N -1 1 391.468 1.635 20 0 GDADMM Cc1ccc(C[N@@H+]2CCCN(C(=O)CNC3(C(=O)[O-])CCOCC3)CC2)cc1 ZINC001594358578 958425388 /nfs/dbraw/zinc/42/53/88/958425388.db2.gz JGQBENRQFDDFHX-UHFFFAOYSA-N -1 1 389.496 1.253 20 0 GDADMM CS(=O)(=O)CC1(CNCc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)CCC1 ZINC001594163914 958929617 /nfs/dbraw/zinc/92/96/17/958929617.db2.gz NRTCXZMNOAEXJU-AWEZNQCLSA-N -1 1 384.498 1.885 20 0 GDADMM CC(C)Cn1ccc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])n1 ZINC001573543459 959193343 /nfs/dbraw/zinc/19/33/43/959193343.db2.gz FQQFRPTUPPKUHS-PWSUYJOCSA-N -1 1 390.362 1.275 20 0 GDADMM CC(C)(C(=O)[O-])n1ccc(NC(=O)NCCc2nnc(-c3ccccc3)[nH]2)n1 ZINC001588625137 959566181 /nfs/dbraw/zinc/56/61/81/959566181.db2.gz BXCJYZUZHCKSJD-UHFFFAOYSA-N -1 1 383.412 1.852 20 0 GDADMM C[C@H]1CN(Cc2ccccc2)C[C@]2(CCN(Cc3cc(C(=O)[O-])nn3C)C2)O1 ZINC001573749694 960542497 /nfs/dbraw/zinc/54/24/97/960542497.db2.gz TXVHUFZPAVPADI-HRAATJIYSA-N -1 1 384.480 1.984 20 0 GDADMM CC(C)(C)OC(=O)NC1CCN(CCNC(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC001588707419 960868543 /nfs/dbraw/zinc/86/85/43/960868543.db2.gz 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1.667 20 0 GDADMM COCCN(CC(F)F)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736995595 598874675 /nfs/dbraw/zinc/87/46/75/598874675.db2.gz UNARERHHMIAEAE-UHFFFAOYSA-N -1 1 381.792 1.422 20 0 GDADMM COCCN(CC(F)F)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736995595 598874676 /nfs/dbraw/zinc/87/46/76/598874676.db2.gz UNARERHHMIAEAE-UHFFFAOYSA-N -1 1 381.792 1.422 20 0 GDADMM COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736911838 598874757 /nfs/dbraw/zinc/87/47/57/598874757.db2.gz XJHCOICZUJQTJD-JTQLQIEISA-N -1 1 385.833 1.236 20 0 GDADMM COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736911838 598874758 /nfs/dbraw/zinc/87/47/58/598874758.db2.gz XJHCOICZUJQTJD-JTQLQIEISA-N -1 1 385.833 1.236 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)N2CCn3ccnc3C2)c1-c1nn[n-]n1 ZINC000737190414 598910213 /nfs/dbraw/zinc/91/02/13/598910213.db2.gz YXYMKJIBTMKPJK-UHFFFAOYSA-N -1 1 382.453 1.714 20 0 GDADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCC(=O)N2 ZINC000737301918 598930642 /nfs/dbraw/zinc/93/06/42/598930642.db2.gz WRUCHZNEUYINCL-UHFFFAOYSA-N -1 1 386.393 1.307 20 0 GDADMM CNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)c1 ZINC000736877421 598946830 /nfs/dbraw/zinc/94/68/30/598946830.db2.gz KUIXGKAZFRPSCI-UHFFFAOYSA-N -1 1 386.437 1.644 20 0 GDADMM FC(F)(F)CN1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000737626051 598958570 /nfs/dbraw/zinc/95/85/70/598958570.db2.gz FLKLNIXXXBCIDS-UHFFFAOYSA-N -1 1 378.362 1.884 20 0 GDADMM FC(F)(F)CN1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000737626051 598958571 /nfs/dbraw/zinc/95/85/71/598958571.db2.gz FLKLNIXXXBCIDS-UHFFFAOYSA-N -1 1 378.362 1.884 20 0 GDADMM CC(C)c1nnc2n1C[C@@H](Nc1c3ccccc3nnc1-c1nnn[n-]1)CC2 ZINC000735951965 598963144 /nfs/dbraw/zinc/96/31/44/598963144.db2.gz ASXPNIGPNJOLFS-NSHDSACASA-N -1 1 376.428 1.952 20 0 GDADMM CC(C)c1nnc2n1C[C@@H](Nc1c3ccccc3nnc1-c1nn[n-]n1)CC2 ZINC000735951965 598963145 /nfs/dbraw/zinc/96/31/45/598963145.db2.gz ASXPNIGPNJOLFS-NSHDSACASA-N -1 1 376.428 1.952 20 0 GDADMM CCCN([C@H]1C[C@H](OCC)C1(C)C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736470438 599009161 /nfs/dbraw/zinc/00/91/61/599009161.db2.gz FZKSJPOTXNEYDZ-GJZGRUSLSA-N -1 1 394.501 1.866 20 0 GDADMM CCCN([C@H]1C[C@H](OCC)C1(C)C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736470438 599009163 /nfs/dbraw/zinc/00/91/63/599009163.db2.gz FZKSJPOTXNEYDZ-GJZGRUSLSA-N -1 1 394.501 1.866 20 0 GDADMM O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738051797 599025852 /nfs/dbraw/zinc/02/58/52/599025852.db2.gz QTYWUGLYWMTHQV-NSHDSACASA-N -1 1 385.378 1.796 20 0 GDADMM O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738051797 599025854 /nfs/dbraw/zinc/02/58/54/599025854.db2.gz QTYWUGLYWMTHQV-NSHDSACASA-N -1 1 385.378 1.796 20 0 GDADMM O=C(NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738118055 599026155 /nfs/dbraw/zinc/02/61/55/599026155.db2.gz WEEDAUUWFFNDQW-MRXNPFEDSA-N -1 1 393.407 1.309 20 0 GDADMM O=C(NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738118055 599026157 /nfs/dbraw/zinc/02/61/57/599026157.db2.gz WEEDAUUWFFNDQW-MRXNPFEDSA-N -1 1 393.407 1.309 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC(C2N=NC(=S)N2C2CC2)CC1 ZINC000738257665 599030186 /nfs/dbraw/zinc/03/01/86/599030186.db2.gz BIOVEYVYCDCDRF-UHFFFAOYSA-N -1 1 397.468 1.497 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC(C2N=NC(=S)N2C2CC2)CC1 ZINC000738257665 599030188 /nfs/dbraw/zinc/03/01/88/599030188.db2.gz BIOVEYVYCDCDRF-UHFFFAOYSA-N -1 1 397.468 1.497 20 0 GDADMM CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC000821170187 599062391 /nfs/dbraw/zinc/06/23/91/599062391.db2.gz NHWDSFOJCVYYHE-JTQLQIEISA-N -1 1 384.366 1.284 20 0 GDADMM CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC000821170187 599062394 /nfs/dbraw/zinc/06/23/94/599062394.db2.gz NHWDSFOJCVYYHE-JTQLQIEISA-N -1 1 384.366 1.284 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccccc2Cl)C1=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738026039 599086074 /nfs/dbraw/zinc/08/60/74/599086074.db2.gz PVILBUPUXQFWKW-AWEZNQCLSA-N -1 1 397.826 1.841 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccccc2Cl)C1=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738026039 599086077 /nfs/dbraw/zinc/08/60/77/599086077.db2.gz PVILBUPUXQFWKW-AWEZNQCLSA-N -1 1 397.826 1.841 20 0 GDADMM O=C(NC[C@H](O)c1ccccc1C(F)(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC000738041590 599106817 /nfs/dbraw/zinc/10/68/17/599106817.db2.gz SLQQTJFXFMKQJT-ZDUSSCGKSA-N -1 1 378.314 1.744 20 0 GDADMM O=C(NC[C@H](O)c1ccccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC000738041590 599106819 /nfs/dbraw/zinc/10/68/19/599106819.db2.gz SLQQTJFXFMKQJT-ZDUSSCGKSA-N -1 1 378.314 1.744 20 0 GDADMM CN(CCCNC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000736800150 599134981 /nfs/dbraw/zinc/13/49/81/599134981.db2.gz JGAZPXMGRKRSPL-UHFFFAOYSA-N -1 1 395.423 1.061 20 0 GDADMM CN(CCCNC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000736800150 599134982 /nfs/dbraw/zinc/13/49/82/599134982.db2.gz JGAZPXMGRKRSPL-UHFFFAOYSA-N -1 1 395.423 1.061 20 0 GDADMM Cc1ccccc1C[C@@H](C)NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737426083 599136892 /nfs/dbraw/zinc/13/68/92/599136892.db2.gz JFQOGBABTZSENM-CYBMUJFWSA-N -1 1 380.408 1.474 20 0 GDADMM Cc1ccccc1C[C@@H](C)NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737426083 599136893 /nfs/dbraw/zinc/13/68/93/599136893.db2.gz JFQOGBABTZSENM-CYBMUJFWSA-N -1 1 380.408 1.474 20 0 GDADMM O=C(OC1CCN(C(=O)c2ccccc2F)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738213131 599155432 /nfs/dbraw/zinc/15/54/32/599155432.db2.gz FQYRVDLXBISKMU-UHFFFAOYSA-N -1 1 396.382 1.862 20 0 GDADMM O=C(OC1CCN(C(=O)c2ccccc2F)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738213131 599155435 /nfs/dbraw/zinc/15/54/35/599155435.db2.gz FQYRVDLXBISKMU-UHFFFAOYSA-N -1 1 396.382 1.862 20 0 GDADMM COCC[S@@](=O)Cc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737013476 599197578 /nfs/dbraw/zinc/19/75/78/599197578.db2.gz ITQKGZQSAIBYIY-HHHXNRCGSA-N -1 1 386.437 1.409 20 0 GDADMM COCC[S@@](=O)Cc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737013476 599197580 /nfs/dbraw/zinc/19/75/80/599197580.db2.gz ITQKGZQSAIBYIY-HHHXNRCGSA-N -1 1 386.437 1.409 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000822534843 599207079 /nfs/dbraw/zinc/20/70/79/599207079.db2.gz APOKFOMRRXKDQV-RTXFEEFZSA-N -1 1 395.423 1.298 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000822534843 599207081 /nfs/dbraw/zinc/20/70/81/599207081.db2.gz APOKFOMRRXKDQV-RTXFEEFZSA-N -1 1 395.423 1.298 20 0 GDADMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)c1cc(Br)ccc1Cl ZINC000535475767 596948688 /nfs/dbraw/zinc/94/86/88/596948688.db2.gz MYGCGMPRDAFAJA-UHFFFAOYSA-N -1 1 399.694 1.739 20 0 GDADMM Cc1c(Cl)cccc1NC(=O)CNC(=O)CN1CCC[C@H](CC(=O)[O-])C1 ZINC000532881699 597085750 /nfs/dbraw/zinc/08/57/50/597085750.db2.gz QMWIFBZEBWFLEY-CYBMUJFWSA-N -1 1 381.860 1.890 20 0 GDADMM C[C@H](C(=O)Nc1ccccc1C(=O)NCc1ccco1)N1CC[C@@H](C(=O)[O-])C1 ZINC000817744316 597535911 /nfs/dbraw/zinc/53/59/11/597535911.db2.gz WKJXUKADCBWCSQ-ZIAGYGMSSA-N -1 1 385.420 1.943 20 0 GDADMM C[S@@](=O)CC[NH+]1CCN(c2ccc(C(F)(F)F)cc2-c2nn[nH]n2)CC1 ZINC000821942105 607326272 /nfs/dbraw/zinc/32/62/72/607326272.db2.gz LFUZFYIUOYLRSP-AREMUKBSSA-N -1 1 388.419 1.386 20 0 GDADMM COc1cc(F)c(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2F)cc1OC ZINC000821719626 607328074 /nfs/dbraw/zinc/32/80/74/607328074.db2.gz GNHUBEYWVMLFDS-UHFFFAOYSA-N -1 1 397.363 1.963 20 0 GDADMM O=C([O-])c1ccccc1NC(=O)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000821414931 598173321 /nfs/dbraw/zinc/17/33/21/598173321.db2.gz BLBOPVQPRQCZPY-UHFFFAOYSA-N -1 1 391.493 1.801 20 0 GDADMM CC[C@H](C)[C@H](NCC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1)C(=O)[O-] ZINC000820459749 598187560 /nfs/dbraw/zinc/18/75/60/598187560.db2.gz PDDUYQQSPJLIIO-LXZKKBNFSA-N -1 1 388.530 1.424 20 0 GDADMM CN(CCc1cccc2ccccc21)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736805498 598245237 /nfs/dbraw/zinc/24/52/37/598245237.db2.gz GQDJNOLPZHCKCQ-UHFFFAOYSA-N -1 1 391.435 1.096 20 0 GDADMM COc1ccc(C(C)=O)c(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737074631 598259297 /nfs/dbraw/zinc/25/92/97/598259297.db2.gz XVBRPCMNUZSSOF-UHFFFAOYSA-N -1 1 375.366 1.241 20 0 GDADMM COc1ccc(C(C)=O)c(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737074631 598259298 /nfs/dbraw/zinc/25/92/98/598259298.db2.gz XVBRPCMNUZSSOF-UHFFFAOYSA-N -1 1 375.366 1.241 20 0 GDADMM O=S(=O)(N[C@@H]1CCSc2c(F)cccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000738343493 598266075 /nfs/dbraw/zinc/26/60/75/598266075.db2.gz PTUGUZFUKCYTLG-GFCCVEGCSA-N -1 1 392.441 1.916 20 0 GDADMM O=S(=O)(N[C@@H]1CCSc2c(F)cccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000738343493 598266076 /nfs/dbraw/zinc/26/60/76/598266076.db2.gz PTUGUZFUKCYTLG-GFCCVEGCSA-N -1 1 392.441 1.916 20 0 GDADMM COc1ccc(F)cc1[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737099690 598267990 /nfs/dbraw/zinc/26/79/90/598267990.db2.gz PIZANWGGLJFDOU-VIFPVBQESA-N -1 1 378.389 1.449 20 0 GDADMM COc1ccc(F)cc1[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737099690 598267992 /nfs/dbraw/zinc/26/79/92/598267992.db2.gz PIZANWGGLJFDOU-VIFPVBQESA-N -1 1 378.389 1.449 20 0 GDADMM COc1ccc2c(c1)CCC[C@H]2NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737114206 598270878 /nfs/dbraw/zinc/27/08/78/598270878.db2.gz HSPUALITPQIEJO-OAHLLOKOSA-N -1 1 386.437 1.626 20 0 GDADMM COc1ccc2c(c1)CCC[C@H]2NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737114206 598270880 /nfs/dbraw/zinc/27/08/80/598270880.db2.gz HSPUALITPQIEJO-OAHLLOKOSA-N -1 1 386.437 1.626 20 0 GDADMM CC(C)Cc1nc(-c2nn[n-]n2)c(NNC(=S)NCCc2ccccn2)o1 ZINC000735850721 598295755 /nfs/dbraw/zinc/29/57/55/598295755.db2.gz FSLGBKVXSMTCHH-UHFFFAOYSA-N -1 1 387.473 1.482 20 0 GDADMM Cc1cc(F)ccc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000822204225 607354136 /nfs/dbraw/zinc/35/41/36/607354136.db2.gz IRVSYXAFPFAALL-LBPRGKRZSA-N -1 1 382.403 1.455 20 0 GDADMM Cc1cc(F)ccc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000822204225 607354138 /nfs/dbraw/zinc/35/41/38/607354138.db2.gz IRVSYXAFPFAALL-LBPRGKRZSA-N -1 1 382.403 1.455 20 0 GDADMM COC(=O)N1CCC[C@H](NC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)C1 ZINC000736935970 598333215 /nfs/dbraw/zinc/33/32/15/598333215.db2.gz LSQPYGXRAPVPJY-LBPRGKRZSA-N -1 1 399.411 1.519 20 0 GDADMM COC(=O)N1CCC[C@H](NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)C1 ZINC000736935970 598333216 /nfs/dbraw/zinc/33/32/16/598333216.db2.gz LSQPYGXRAPVPJY-LBPRGKRZSA-N -1 1 399.411 1.519 20 0 GDADMM COC(=O)c1ccc2[nH]c3c(c2c1)CN(c1nccnc1-c1nnn[n-]1)CC3 ZINC000736949906 598342597 /nfs/dbraw/zinc/34/25/97/598342597.db2.gz VXLRJRXEEHRUMD-UHFFFAOYSA-N -1 1 376.380 1.487 20 0 GDADMM COC(=O)c1ccc2[nH]c3c(c2c1)CN(c1nccnc1-c1nn[n-]n1)CC3 ZINC000736949906 598342599 /nfs/dbraw/zinc/34/25/99/598342599.db2.gz VXLRJRXEEHRUMD-UHFFFAOYSA-N -1 1 376.380 1.487 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cc(-c3ccc4c(c3)CCO4)no2)n1 ZINC000822619826 607353140 /nfs/dbraw/zinc/35/31/40/607353140.db2.gz HHFCEFFMZFUICH-UHFFFAOYSA-N -1 1 378.352 1.442 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cc(-c3ccc4c(c3)CCO4)no2)n1 ZINC000822619826 607353143 /nfs/dbraw/zinc/35/31/43/607353143.db2.gz HHFCEFFMZFUICH-UHFFFAOYSA-N -1 1 378.352 1.442 20 0 GDADMM O=C(c1cc2ccccc2[nH]1)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000738249216 598352299 /nfs/dbraw/zinc/35/22/99/598352299.db2.gz TZSAQYJWDSMQSQ-UHFFFAOYSA-N -1 1 375.396 1.100 20 0 GDADMM O=C(c1cc2ccccc2[nH]1)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000738249216 598352301 /nfs/dbraw/zinc/35/23/01/598352301.db2.gz TZSAQYJWDSMQSQ-UHFFFAOYSA-N -1 1 375.396 1.100 20 0 GDADMM COc1ccc(OC)c([C@H](C)NC(=O)Cn2ccc(C)c(-c3nn[n-]n3)c2=O)c1 ZINC000821839666 607349108 /nfs/dbraw/zinc/34/91/08/607349108.db2.gz WVKIWVYBVRWESP-LBPRGKRZSA-N -1 1 398.423 1.231 20 0 GDADMM Cc1oc(NC(=O)[C@@H](C)N2CCn3c(nnc3C(C)C)C2)c(-c2nn[n-]n2)c1C ZINC000737550607 598367562 /nfs/dbraw/zinc/36/75/62/598367562.db2.gz AXLGUQHTSZIPKZ-LLVKDONJSA-N -1 1 399.459 1.634 20 0 GDADMM CCc1nn(C[C@@H](O)c2ccc(F)cc2F)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736704985 598374100 /nfs/dbraw/zinc/37/41/00/598374100.db2.gz BINZCYMOWLMURX-CQSZACIVSA-N -1 1 376.367 1.560 20 0 GDADMM CCc1nn(CC(=O)Nc2cc(C)ccc2OC)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705833 598378044 /nfs/dbraw/zinc/37/80/44/598378044.db2.gz PSHZAFGOLLNTJO-UHFFFAOYSA-N -1 1 397.439 1.504 20 0 GDADMM CC(C)Cn1nc(C(=O)N=c2cc[nH]cc2-c2nn[n-]n2)c2ccccc2c1=O ZINC000735851449 598381350 /nfs/dbraw/zinc/38/13/50/598381350.db2.gz VLLYJJRDYMSFEM-UHFFFAOYSA-N -1 1 390.407 1.302 20 0 GDADMM Cc1nn(Cc2nnc(-c3cccc(Cl)c3)o2)c(=O)c(-c2nn[n-]n2)c1C ZINC000737522867 598383781 /nfs/dbraw/zinc/38/37/81/598383781.db2.gz NEUSXMNILBXWMW-UHFFFAOYSA-N -1 1 384.787 1.792 20 0 GDADMM Cc1cc(Br)ccc1NC(=O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC000737231345 598384729 /nfs/dbraw/zinc/38/47/29/598384729.db2.gz OPCKWJDPZFOLFP-UHFFFAOYSA-N -1 1 389.217 1.778 20 0 GDADMM Cc1cc(Br)ccc1NC(=O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC000737231345 598384731 /nfs/dbraw/zinc/38/47/31/598384731.db2.gz OPCKWJDPZFOLFP-UHFFFAOYSA-N -1 1 389.217 1.778 20 0 GDADMM COc1ccnc(CN2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)c1 ZINC000737155267 598403676 /nfs/dbraw/zinc/40/36/76/598403676.db2.gz FOOYGXSKPBNOMG-UHFFFAOYSA-N -1 1 382.428 1.458 20 0 GDADMM Cc1nc(-c2nn[n-]n2)c(NNC(=S)Nc2ccc3c(c2)OCCCO3)o1 ZINC000737467723 598439816 /nfs/dbraw/zinc/43/98/16/598439816.db2.gz RLUKXOBMKDWTMO-UHFFFAOYSA-N -1 1 388.413 1.638 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@@H](C)c1cccnc1 ZINC000737487869 598496879 /nfs/dbraw/zinc/49/68/79/598496879.db2.gz OMULGNAUCDFMSL-NSHDSACASA-N -1 1 391.439 1.731 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@@H](C)c1cccnc1 ZINC000737487869 598496881 /nfs/dbraw/zinc/49/68/81/598496881.db2.gz OMULGNAUCDFMSL-NSHDSACASA-N -1 1 391.439 1.731 20 0 GDADMM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)nc1)c1nc(C2CC2)no1 ZINC000735735749 598525356 /nfs/dbraw/zinc/52/53/56/598525356.db2.gz VBLZHUVZGZBDEJ-LBPRGKRZSA-N -1 1 390.429 1.198 20 0 GDADMM C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@H](O)c1c(Cl)cccc1Cl ZINC000820333787 607360627 /nfs/dbraw/zinc/36/06/27/607360627.db2.gz GIMWRTADWYMRPQ-MADCSZMMSA-N -1 1 397.226 1.003 20 0 GDADMM CSCc1cccc(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000737186041 598601561 /nfs/dbraw/zinc/60/15/61/598601561.db2.gz DMQXVACSYOTTSL-UHFFFAOYSA-N -1 1 387.473 1.789 20 0 GDADMM CSCc1cccc(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000737186041 598601563 /nfs/dbraw/zinc/60/15/63/598601563.db2.gz DMQXVACSYOTTSL-UHFFFAOYSA-N -1 1 387.473 1.789 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCc2ccc(CO)c(F)c2)cc1-c1nn[n-]n1 ZINC000737188069 598604652 /nfs/dbraw/zinc/60/46/52/598604652.db2.gz XRTCOJFITCXCIU-UHFFFAOYSA-N -1 1 390.400 1.251 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC[C@@H](OCCO)C1 ZINC000822535203 607362856 /nfs/dbraw/zinc/36/28/56/607362856.db2.gz JNBNJFAMMLGCOM-CYBMUJFWSA-N -1 1 386.412 1.172 20 0 GDADMM COC(=O)CCCc1nc(Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)no1 ZINC000736912696 598640900 /nfs/dbraw/zinc/64/09/00/598640900.db2.gz FXBTZPXBQKFNQN-UHFFFAOYSA-N -1 1 395.379 1.109 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCc1nncn1C1CC1 ZINC000737547758 598689170 /nfs/dbraw/zinc/68/91/70/598689170.db2.gz KPUJRXRHPSBXPU-UHFFFAOYSA-N -1 1 379.384 1.415 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCc1nncn1C1CC1 ZINC000737547758 598689172 /nfs/dbraw/zinc/68/91/72/598689172.db2.gz KPUJRXRHPSBXPU-UHFFFAOYSA-N -1 1 379.384 1.415 20 0 GDADMM CNC(=O)c1ccccc1OS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736882303 598690440 /nfs/dbraw/zinc/69/04/40/598690440.db2.gz NJXLCRDHEGYSCC-UHFFFAOYSA-N -1 1 377.357 1.133 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000738355724 598690686 /nfs/dbraw/zinc/69/06/86/598690686.db2.gz QNLKFXRUMKSNGX-JTQLQIEISA-N -1 1 377.405 1.297 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC[C@@H](OCCO)C1 ZINC000822535203 607362857 /nfs/dbraw/zinc/36/28/57/607362857.db2.gz JNBNJFAMMLGCOM-CYBMUJFWSA-N -1 1 386.412 1.172 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N(Cc2ccccc2)CC(C)(C)C)n(C)c1=O ZINC000737592472 598756064 /nfs/dbraw/zinc/75/60/64/598756064.db2.gz OYYPMQQVVLUKCL-UHFFFAOYSA-N -1 1 383.456 1.317 20 0 GDADMM CON(C)C(=O)c1ccc([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000737023799 598807098 /nfs/dbraw/zinc/80/70/98/598807098.db2.gz NPFLGUMMFCYNBY-UHFFFAOYSA-N -1 1 388.409 1.301 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000823601181 599338956 /nfs/dbraw/zinc/33/89/56/599338956.db2.gz VFKQHJWFQJWTJT-CHWSQXEVSA-N -1 1 383.861 1.852 20 0 GDADMM Cc1ccc(N2CCC[C@H](NS(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)C2)cc1 ZINC000822242666 599363590 /nfs/dbraw/zinc/36/35/90/599363590.db2.gz SXISLRMCLGNOSQ-AWEZNQCLSA-N -1 1 399.480 1.517 20 0 GDADMM Cc1ccc(N2CCC[C@H](NS(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)C2)cc1 ZINC000822242666 599363593 /nfs/dbraw/zinc/36/35/93/599363593.db2.gz SXISLRMCLGNOSQ-AWEZNQCLSA-N -1 1 399.480 1.517 20 0 GDADMM C[C@@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)Oc1ccc(Cl)cc1 ZINC000820274084 599373814 /nfs/dbraw/zinc/37/38/14/599373814.db2.gz DBPAFNGGVLFXNB-JTQLQIEISA-N -1 1 394.844 1.661 20 0 GDADMM C[C@@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)Oc1ccc(Cl)cc1 ZINC000820274084 599373816 /nfs/dbraw/zinc/37/38/16/599373816.db2.gz DBPAFNGGVLFXNB-JTQLQIEISA-N -1 1 394.844 1.661 20 0 GDADMM O=C(CN1CCN(c2cccc(-c3nnn[n-]3)n2)CC1)Nc1ccc(F)cc1 ZINC000737881824 599398077 /nfs/dbraw/zinc/39/80/77/599398077.db2.gz HOQKPHRTYQUYSL-UHFFFAOYSA-N -1 1 382.403 1.162 20 0 GDADMM O=C(CN1CCN(c2cccc(-c3nn[n-]n3)n2)CC1)Nc1ccc(F)cc1 ZINC000737881824 599398079 /nfs/dbraw/zinc/39/80/79/599398079.db2.gz HOQKPHRTYQUYSL-UHFFFAOYSA-N -1 1 382.403 1.162 20 0 GDADMM COC(=O)[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)CC(C)C ZINC000821640322 599446080 /nfs/dbraw/zinc/44/60/80/599446080.db2.gz GDUGMYCCYHHUHY-SECBINFHSA-N -1 1 394.457 1.254 20 0 GDADMM CCn1ccnc1CN1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000821566419 599531948 /nfs/dbraw/zinc/53/19/48/599531948.db2.gz CQLHIGSNEIHGTN-UHFFFAOYSA-N -1 1 389.467 1.954 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000737548926 599576001 /nfs/dbraw/zinc/57/60/01/599576001.db2.gz QRKCHNSUSSDERX-RYUDHWBXSA-N -1 1 383.412 1.333 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000737548926 599576004 /nfs/dbraw/zinc/57/60/04/599576004.db2.gz QRKCHNSUSSDERX-RYUDHWBXSA-N -1 1 383.412 1.333 20 0 GDADMM O=C1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CCN1Cc1cccc(F)c1 ZINC000823535924 599588998 /nfs/dbraw/zinc/58/89/98/599588998.db2.gz MKGSQBCQSIAMAE-UHFFFAOYSA-N -1 1 387.806 1.903 20 0 GDADMM O=C1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CCN1Cc1cccc(F)c1 ZINC000823535924 599589001 /nfs/dbraw/zinc/58/90/01/599589001.db2.gz MKGSQBCQSIAMAE-UHFFFAOYSA-N -1 1 387.806 1.903 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)O[C@H](C)C(F)(F)F ZINC000822458672 599628053 /nfs/dbraw/zinc/62/80/53/599628053.db2.gz IEOHBCNPURCMHA-SECBINFHSA-N -1 1 383.334 1.953 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)O[C@H](C)C(F)(F)F ZINC000822458672 599628054 /nfs/dbraw/zinc/62/80/54/599628054.db2.gz IEOHBCNPURCMHA-SECBINFHSA-N -1 1 383.334 1.953 20 0 GDADMM O=C(/C=C/C1CC1)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000823017535 599670068 /nfs/dbraw/zinc/67/00/68/599670068.db2.gz AZYKZLFPPLCCKQ-CMDGGOBGSA-N -1 1 379.380 1.500 20 0 GDADMM O=C(/C=C/C1CC1)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000823017535 599670069 /nfs/dbraw/zinc/67/00/69/599670069.db2.gz AZYKZLFPPLCCKQ-CMDGGOBGSA-N -1 1 379.380 1.500 20 0 GDADMM Cc1c(C(=O)[O-])sc2[nH]c(CN3CCN([C@@H]4CCC[C@@H]4O)CC3)nc(=O)c12 ZINC000738289120 599711912 /nfs/dbraw/zinc/71/19/12/599711912.db2.gz DNSXYDKEIPQSKG-NEPJUHHUSA-N -1 1 392.481 1.022 20 0 GDADMM CC(C)[C@H](C)NC(=O)C1CCN([C@H](C)C(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000736353221 599713666 /nfs/dbraw/zinc/71/36/66/599713666.db2.gz IFZRJHMVLFYWMR-LSDHHAIUSA-N -1 1 381.517 1.571 20 0 GDADMM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000736206690 599718698 /nfs/dbraw/zinc/71/86/98/599718698.db2.gz XHWDIQSZWFULGE-KGLIPLIRSA-N -1 1 383.489 1.545 20 0 GDADMM CN(C)CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000737369450 599731568 /nfs/dbraw/zinc/73/15/68/599731568.db2.gz IMENZXLYAWJKFP-UHFFFAOYSA-N -1 1 392.499 1.340 20 0 GDADMM O=C([O-])[C@@H](NCC(=O)NCC1(N2CCOCC2)CCCCC1)c1ccccc1 ZINC000739307940 599760542 /nfs/dbraw/zinc/76/05/42/599760542.db2.gz RUHOQCGKWMAQBD-IBGZPJMESA-N -1 1 389.496 1.553 20 0 GDADMM COc1cc(C(=O)[O-])ccc1OC[C@@H](O)CN1CCCC[C@H]1C1OCCO1 ZINC000737863262 599814111 /nfs/dbraw/zinc/81/41/11/599814111.db2.gz MZNGRWFEQTUAHF-GJZGRUSLSA-N -1 1 381.425 1.361 20 0 GDADMM O=C([O-])c1ccc(NC(=O)NCCCCN2CCN(c3ncccn3)CC2)cc1 ZINC000738499992 599815858 /nfs/dbraw/zinc/81/58/58/599815858.db2.gz FYWGGMGIIDHMEU-UHFFFAOYSA-N -1 1 398.467 1.899 20 0 GDADMM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CSc1nc(-c2cccnc2)n[nH]1 ZINC000739625915 599832798 /nfs/dbraw/zinc/83/27/98/599832798.db2.gz QOHLSORVNFSEJY-HNNXBMFYSA-N -1 1 395.444 1.997 20 0 GDADMM CCc1cc(=O)n2[nH]c(NS(=O)(=O)c3cc(Cl)ccc3C(=O)[O-])nc2n1 ZINC000737251890 599883170 /nfs/dbraw/zinc/88/31/70/599883170.db2.gz ZCVUSDIYFPDNGK-UHFFFAOYSA-N -1 1 397.800 1.132 20 0 GDADMM CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)NCCSCC(=O)[O-])c2C1 ZINC000736353223 599908523 /nfs/dbraw/zinc/90/85/23/599908523.db2.gz IHMSKEQKHVDICC-ZDUSSCGKSA-N -1 1 393.509 1.919 20 0 GDADMM Cn1c(=O)c2ccc(C(=O)NCCOc3ccc(C(=O)[O-])cc3)cc2[nH]c1=S ZINC000739014234 599920894 /nfs/dbraw/zinc/92/08/94/599920894.db2.gz LUYCOGUXHWBXGY-UHFFFAOYSA-N -1 1 399.428 1.729 20 0 GDADMM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000736201701 599955982 /nfs/dbraw/zinc/95/59/82/599955982.db2.gz WSFQNJYVOVNZHI-GDBMZVCRSA-N -1 1 375.473 1.089 20 0 GDADMM CC1(C)CN(C2(CNC(=O)N3CCO[C@H](C(=O)[O-])C3)CCCCC2)CCO1 ZINC000666527200 599958589 /nfs/dbraw/zinc/95/85/89/599958589.db2.gz SFWCQRJSDCHJIK-HNNXBMFYSA-N -1 1 383.489 1.295 20 0 GDADMM CC[C@H]1CN(CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)CC[N@H+]1CCOC ZINC000736944427 599961054 /nfs/dbraw/zinc/96/10/54/599961054.db2.gz UDZCEBWWRZOAOI-ZDUSSCGKSA-N -1 1 395.525 1.916 20 0 GDADMM CC[C@H]1CN(CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)CCN1CCOC ZINC000736944427 599961056 /nfs/dbraw/zinc/96/10/56/599961056.db2.gz UDZCEBWWRZOAOI-ZDUSSCGKSA-N -1 1 395.525 1.916 20 0 GDADMM CCn1ccnc1CN1CCCN([C@H](C)C(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000737302876 599965505 /nfs/dbraw/zinc/96/55/05/599965505.db2.gz KFNWZLGVZIPISU-MRXNPFEDSA-N -1 1 391.516 1.122 20 0 GDADMM CC(C)CN1CCO[C@@H](CNC(=O)COC(=O)c2cccc(NC(=O)[O-])c2)C1 ZINC000736444062 599998787 /nfs/dbraw/zinc/99/87/87/599998787.db2.gz WPQBDICWDVETET-INIZCTEOSA-N -1 1 393.440 1.406 20 0 GDADMM C[C@@H](C(=O)NCC(=O)[O-])N1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000736210278 600077163 /nfs/dbraw/zinc/07/71/63/600077163.db2.gz XJEAEQUVEMYIGH-QWHCGFSZSA-N -1 1 380.420 1.249 20 0 GDADMM O=C([O-])c1ccc2c(c1)CN(CCC(=O)N1CCN(c3ccccn3)CC1)C2 ZINC000740203664 600081531 /nfs/dbraw/zinc/08/15/31/600081531.db2.gz VDGVCPLQXPYHQJ-UHFFFAOYSA-N -1 1 380.448 1.834 20 0 GDADMM COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000737693936 600095754 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386.412 1.091 20 0 GDADMM O=C([O-])NCc1nc(C(=O)NC2CCN(Cc3ccccn3)CC2)cs1 ZINC000740683427 602708392 /nfs/dbraw/zinc/70/83/92/602708392.db2.gz FFTDPMHCJCVKMQ-UHFFFAOYSA-N -1 1 375.454 1.700 20 0 GDADMM COc1ccc(-c2n[nH]c(CNC(=O)c3csc(CNC(=O)[O-])n3)n2)cc1 ZINC000739877800 602711940 /nfs/dbraw/zinc/71/19/40/602711940.db2.gz BNYYTDOYLPFVBC-UHFFFAOYSA-N -1 1 388.409 1.634 20 0 GDADMM COc1ccc(-c2nc(CNC(=O)c3csc(CNC(=O)[O-])n3)n[nH]2)cc1 ZINC000739877800 602711941 /nfs/dbraw/zinc/71/19/41/602711941.db2.gz BNYYTDOYLPFVBC-UHFFFAOYSA-N -1 1 388.409 1.634 20 0 GDADMM C[C@H](c1nc(-c2cccnc2)no1)N1CCC[C@@H](C(=O)NCCNC(=O)[O-])C1 ZINC000739061529 602818372 /nfs/dbraw/zinc/81/83/72/602818372.db2.gz VZIZMIUVZDBVAJ-TZMCWYRMSA-N -1 1 388.428 1.288 20 0 GDADMM C[C@@H]1CN(CCC(=O)Nc2ccccc2C(=O)NC2CC2)C[C@H](C)N1C(=O)[O-] ZINC000739184633 602826075 /nfs/dbraw/zinc/82/60/75/602826075.db2.gz XHZAOUCJUKZQJO-OKILXGFUSA-N -1 1 388.468 1.980 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N(C[C@@H]1CCOC1)C1CC1 ZINC000826494738 607589432 /nfs/dbraw/zinc/58/94/32/607589432.db2.gz NGLARAPGRUTGDH-JTQLQIEISA-N -1 1 383.861 1.710 20 0 GDADMM Cc1ccc(C(=O)N(C)C)cc1OS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000826281346 607590262 /nfs/dbraw/zinc/59/02/62/607590262.db2.gz NOSBKNHKMIUPIU-UHFFFAOYSA-N -1 1 387.421 1.645 20 0 GDADMM COc1ccnc(N2CCN(C(=O)[C@@H](CNC(=O)[O-])c3ccccc3)CC2)c1 ZINC000829651184 602862231 /nfs/dbraw/zinc/86/22/31/602862231.db2.gz YGFIEMQLVPSBGS-KRWDZBQOSA-N -1 1 384.436 1.790 20 0 GDADMM O=S(=O)(NC1CCOCC1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826489387 607592518 /nfs/dbraw/zinc/59/25/18/607592518.db2.gz ODTHSULJFJEMKI-UHFFFAOYSA-N -1 1 377.348 1.343 20 0 GDADMM O=C([O-])N1CCCC[C@@H](NC(=O)NC2CCN(Cc3ccccn3)CC2)C1 ZINC000740401170 602889753 /nfs/dbraw/zinc/88/97/53/602889753.db2.gz RFHIWIPHEGGAFX-QGZVFWFLSA-N -1 1 375.473 1.878 20 0 GDADMM CC1(C)CN(C2(CNC(=O)[C@@H]3COCCN3C(=O)[O-])CCCCC2)CCO1 ZINC000739062878 602897390 /nfs/dbraw/zinc/89/73/90/602897390.db2.gz BUOPBTDIXFABMT-HNNXBMFYSA-N -1 1 383.489 1.295 20 0 GDADMM C[C@@H](COc1cccc(F)c1)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824447669 607593326 /nfs/dbraw/zinc/59/33/26/607593326.db2.gz ALYCKPUMJVJCEJ-JTQLQIEISA-N -1 1 395.391 1.891 20 0 GDADMM Cc1ccccc1OCCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826307343 607594811 /nfs/dbraw/zinc/59/48/11/607594811.db2.gz DRSBRQGDRXZBOQ-UHFFFAOYSA-N -1 1 377.401 1.672 20 0 GDADMM Cc1ccccc1OCCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826307343 607594813 /nfs/dbraw/zinc/59/48/13/607594813.db2.gz DRSBRQGDRXZBOQ-UHFFFAOYSA-N -1 1 377.401 1.672 20 0 GDADMM O=C(CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)Nc1cccc(F)c1 ZINC000826412863 607602197 /nfs/dbraw/zinc/60/21/97/607602197.db2.gz GQKVQMNWEKTVOP-UHFFFAOYSA-N -1 1 394.363 1.062 20 0 GDADMM NC(=O)Cc1cccc(OS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000826391895 607602309 /nfs/dbraw/zinc/60/23/09/607602309.db2.gz GBSOEQNDBVQEAU-UHFFFAOYSA-N -1 1 393.812 1.316 20 0 GDADMM CC(C)(C)c1n[nH]c([C@@H]2CN(C(=O)[C@@H]3CCC[C@@H](NC(=O)[O-])C3)CCO2)n1 ZINC000823864928 603077792 /nfs/dbraw/zinc/07/77/92/603077792.db2.gz RMSDLEQFIVEUDQ-UPJWGTAASA-N -1 1 379.461 1.829 20 0 GDADMM CC(C)(C)c1nnc([C@@H]2CN(C(=O)[C@@H]3CCC[C@@H](NC(=O)[O-])C3)CCO2)[nH]1 ZINC000823864928 603077798 /nfs/dbraw/zinc/07/77/98/603077798.db2.gz RMSDLEQFIVEUDQ-UPJWGTAASA-N -1 1 379.461 1.829 20 0 GDADMM CC(C)(C)c1nc([C@@H]2CN(C(=O)CC3CCN(C(=O)[O-])CC3)CCO2)n[nH]1 ZINC000823864332 603077840 /nfs/dbraw/zinc/07/78/40/603077840.db2.gz LQGCCIWQIDPIHA-ZDUSSCGKSA-N -1 1 379.461 1.782 20 0 GDADMM CC(C)(C)c1nnc([C@@H]2CN(C(=O)CC3CCN(C(=O)[O-])CC3)CCO2)[nH]1 ZINC000823864332 603077843 /nfs/dbraw/zinc/07/78/43/603077843.db2.gz LQGCCIWQIDPIHA-ZDUSSCGKSA-N -1 1 379.461 1.782 20 0 GDADMM C[C@@H]1CN(Cc2ccc(CNC(=O)[C@@H]3C[C@H](O)CN3C(=O)[O-])cc2)C[C@@H](C)O1 ZINC000739188396 603085718 /nfs/dbraw/zinc/08/57/18/603085718.db2.gz XZRVIUORQOXSGE-KNCCTNLNSA-N -1 1 391.468 1.025 20 0 GDADMM O=S(=O)(NCc1cn2c(n1)CCCC2)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826492242 607606060 /nfs/dbraw/zinc/60/60/60/607606060.db2.gz ZGSOZDNVUAMEJG-UHFFFAOYSA-N -1 1 393.860 1.531 20 0 GDADMM CC(C)[C@](C)(CNC(=O)[O-])NC(=O)CCN1CCN(c2ccccn2)CC1 ZINC000738772401 603100349 /nfs/dbraw/zinc/10/03/49/603100349.db2.gz NUPOFEZZCYVRCV-IBGZPJMESA-N -1 1 377.489 1.392 20 0 GDADMM COc1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)cn1 ZINC000826209212 607606972 /nfs/dbraw/zinc/60/69/72/607606972.db2.gz RFQWHEUASYFKIY-UHFFFAOYSA-N -1 1 380.817 1.749 20 0 GDADMM Cc1cccc(S(=O)(=O)Oc2ccc(N(C)C(N)=O)cc2)c1-c1nn[n-]n1 ZINC000826304525 607607001 /nfs/dbraw/zinc/60/70/01/607607001.db2.gz OLSULCLLOBAKTG-UHFFFAOYSA-N -1 1 388.409 1.458 20 0 GDADMM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000739197598 603109904 /nfs/dbraw/zinc/10/99/04/603109904.db2.gz AQBCJCMDBKHSJM-DOMZBBRYSA-N -1 1 377.445 1.275 20 0 GDADMM C[C@H](OC(=O)CN1CCN(C(=O)[O-])CC1=O)c1nc2ccc(Cl)cc2[nH]1 ZINC000739042755 603144965 /nfs/dbraw/zinc/14/49/65/603144965.db2.gz QBGURKWSALJPAZ-VIFPVBQESA-N -1 1 380.788 1.643 20 0 GDADMM C[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)C(=O)Nc1ccccc1 ZINC000824640478 607612980 /nfs/dbraw/zinc/61/29/80/607612980.db2.gz JJHWCSGDPMBYLY-JTQLQIEISA-N -1 1 390.400 1.311 20 0 GDADMM O=C([O-])N1CC[C@H](C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)C1 ZINC000740464734 603200073 /nfs/dbraw/zinc/20/00/73/603200073.db2.gz JDPKNLKRHIGSMS-NSHDSACASA-N -1 1 391.409 1.216 20 0 GDADMM CN1CCN(c2ncccc2CNC(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)CC1 ZINC000739735950 603248288 /nfs/dbraw/zinc/24/82/88/603248288.db2.gz HGEDENRYYJCOCK-HOCLYGCPSA-N -1 1 375.473 1.276 20 0 GDADMM COc1cc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)ccc1O ZINC000826179413 607623780 /nfs/dbraw/zinc/62/37/80/607623780.db2.gz NJELOQFLWXWYQM-UHFFFAOYSA-N -1 1 379.373 1.199 20 0 GDADMM COc1ccc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)cc1O ZINC000826203433 607624909 /nfs/dbraw/zinc/62/49/09/607624909.db2.gz NPMBYQUSGBTHDK-UHFFFAOYSA-N -1 1 397.363 1.338 20 0 GDADMM COc1ccc([C@H](O)CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826188541 607625904 /nfs/dbraw/zinc/62/59/04/607625904.db2.gz AAMDDRRCKMPUOE-CYBMUJFWSA-N -1 1 393.400 1.026 20 0 GDADMM COc1ccc([C@H](O)CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826188541 607625906 /nfs/dbraw/zinc/62/59/06/607625906.db2.gz AAMDDRRCKMPUOE-CYBMUJFWSA-N -1 1 393.400 1.026 20 0 GDADMM O=C([O-])NC[C@H](C(=O)N1CCCN(C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000832404281 603427199 /nfs/dbraw/zinc/42/71/99/603427199.db2.gz ZSPKRNPOXIVUKO-ROUUACIJSA-N -1 1 375.469 1.751 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCc2ccc(O)cc2CC1 ZINC000826495412 607629030 /nfs/dbraw/zinc/62/90/30/607629030.db2.gz OMTZHUHQYURMGO-UHFFFAOYSA-N -1 1 389.412 1.501 20 0 GDADMM CN1CCN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)[C@H](CNC(=O)[O-])C1 ZINC000828508100 603502376 /nfs/dbraw/zinc/50/23/76/603502376.db2.gz XHFRVSCMLLZFPL-LLVKDONJSA-N -1 1 377.832 1.754 20 0 GDADMM CN1CCN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)[C@@H](CNC(=O)[O-])C1 ZINC000828508102 603502880 /nfs/dbraw/zinc/50/28/80/603502880.db2.gz XHFRVSCMLLZFPL-NSHDSACASA-N -1 1 377.832 1.754 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC[C@@H]2CCCn3ccnc32)cc1-c1nn[n-]n1 ZINC000826229829 607636203 /nfs/dbraw/zinc/63/62/03/607636203.db2.gz SXHUOGSVPJADLC-VIFPVBQESA-N -1 1 386.441 1.193 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCCOc2ncccc2F)cc1-c1nn[n-]n1 ZINC000826229407 607636237 /nfs/dbraw/zinc/63/62/37/607636237.db2.gz CTMYENRECRPGCN-UHFFFAOYSA-N -1 1 391.388 1.032 20 0 GDADMM CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N1CCC[C@@H]1CN(C)C(=O)[O-] ZINC000828042712 603562275 /nfs/dbraw/zinc/56/22/75/603562275.db2.gz NNUHMBXKBKYUDS-CQSZACIVSA-N -1 1 377.445 1.453 20 0 GDADMM Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNCC(C)(C)NC(=O)[O-] ZINC000830865907 603577890 /nfs/dbraw/zinc/57/78/90/603577890.db2.gz QPQFUPIJWIPENX-JTQLQIEISA-N -1 1 378.882 1.340 20 0 GDADMM C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)N(C)CC(C)(C)CNC(=O)[O-] ZINC000823691748 603624806 /nfs/dbraw/zinc/62/48/06/603624806.db2.gz AUKJHRAGKCLSDF-KGLIPLIRSA-N -1 1 379.457 1.557 20 0 GDADMM COC(=O)c1ccsc1N1CC[C@H](N(C)CC(C)(C)CNC(=O)[O-])C1=O ZINC000828804630 603628867 /nfs/dbraw/zinc/62/88/67/603628867.db2.gz OSNPTGYYCSSWEK-LBPRGKRZSA-N -1 1 383.470 1.866 20 0 GDADMM C[C@@H](CO)[C@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824433654 607641058 /nfs/dbraw/zinc/64/10/58/607641058.db2.gz GNVVRNPHVQDWFK-YUMQZZPRSA-N -1 1 379.364 1.181 20 0 GDADMM CC1(C)[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)[C@H]2CCO[C@@H]21 ZINC000824790715 607643400 /nfs/dbraw/zinc/64/34/00/607643400.db2.gz PLPKVBSWOZQOTH-WQHBLYJGSA-N -1 1 383.861 1.612 20 0 GDADMM CC1(C)[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)[C@H]2CCO[C@@H]21 ZINC000824790715 607643401 /nfs/dbraw/zinc/64/34/01/607643401.db2.gz PLPKVBSWOZQOTH-WQHBLYJGSA-N -1 1 383.861 1.612 20 0 GDADMM CC1(C)[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)[C@@H]2CCO[C@@H]21 ZINC000824790714 607643580 /nfs/dbraw/zinc/64/35/80/607643580.db2.gz PLPKVBSWOZQOTH-CKLFPEKLSA-N -1 1 383.861 1.612 20 0 GDADMM CC1(C)[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)[C@@H]2CCO[C@@H]21 ZINC000824790714 607643581 /nfs/dbraw/zinc/64/35/81/607643581.db2.gz PLPKVBSWOZQOTH-CKLFPEKLSA-N -1 1 383.861 1.612 20 0 GDADMM Cc1cc([C@@](C)(O)CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c(C)o1 ZINC000826261346 607645786 /nfs/dbraw/zinc/64/57/86/607645786.db2.gz BBNPWIPSTQBHOY-INIZCTEOSA-N -1 1 395.416 1.402 20 0 GDADMM O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000832466266 603700163 /nfs/dbraw/zinc/70/01/63/603700163.db2.gz JGGFDMCUOBDJKP-YOEHRIQHSA-N -1 1 375.473 1.782 20 0 GDADMM C[C@H]1CN(C(=O)NCCN2CCN(Cc3ccccc3)CC2)CCN1C(=O)[O-] ZINC000826001875 603704438 /nfs/dbraw/zinc/70/44/38/603704438.db2.gz OAXPKEIEZLIDLY-KRWDZBQOSA-N -1 1 389.500 1.198 20 0 GDADMM O=C([O-])N1CCC[C@@H](CNC(=O)CCN2CCN(c3ccccn3)CC2)C1 ZINC000831433422 603728163 /nfs/dbraw/zinc/72/81/63/603728163.db2.gz SCSJPOMDBKGNPL-INIZCTEOSA-N -1 1 375.473 1.100 20 0 GDADMM C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000826050504 603908744 /nfs/dbraw/zinc/90/87/44/603908744.db2.gz XUSWUVXQLFMHQH-WBMJQRKESA-N -1 1 386.452 1.655 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)Cn1c(=O)c2ccccc2[nH]c1=S)C(=O)[O-] ZINC000828200693 604004624 /nfs/dbraw/zinc/00/46/24/604004624.db2.gz YHQUAHGUQWHYMK-LLVKDONJSA-N -1 1 376.438 1.286 20 0 GDADMM O=C([O-])NC[C@H]1CCC[C@@H]1NC(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000832457056 604006329 /nfs/dbraw/zinc/00/63/29/604006329.db2.gz HPRDTWVOAFNCDM-PWSUYJOCSA-N -1 1 376.438 1.238 20 0 GDADMM O=C([O-])N1CCc2c1cccc2NC(=O)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000831788723 604040334 /nfs/dbraw/zinc/04/03/34/604040334.db2.gz FOGJWZXUNLFMKL-UHFFFAOYSA-N -1 1 383.408 1.795 20 0 GDADMM C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc3c(c2)CN(C(=O)[O-])CC3)CN1C1CC1 ZINC000825787601 604041953 /nfs/dbraw/zinc/04/19/53/604041953.db2.gz BVOCZIXDRMFJQE-LRDDRELGSA-N -1 1 386.452 1.403 20 0 GDADMM O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000832757331 604058044 /nfs/dbraw/zinc/05/80/44/604058044.db2.gz CPCLIBOVGSIVQX-BZSNNMDCSA-N -1 1 375.469 1.313 20 0 GDADMM CCO[C@H](C)c1noc(CN2CCN(C[C@H]3CCCN(C(=O)[O-])C3)CC2)n1 ZINC000827373643 604063435 /nfs/dbraw/zinc/06/34/35/604063435.db2.gz XWJGSIPQLYOWRW-HUUCEWRRSA-N -1 1 381.477 1.675 20 0 GDADMM COCCC1(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCCC1 ZINC000826155597 607671889 /nfs/dbraw/zinc/67/18/89/607671889.db2.gz VNPZAUJEYPMHFC-UHFFFAOYSA-N -1 1 383.449 1.881 20 0 GDADMM Cc1nnc([C@@H]2CCCN(S(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)C2)[nH]1 ZINC000826324776 607672467 /nfs/dbraw/zinc/67/24/67/607672467.db2.gz DKSDIDUXVXQWAF-SNVBAGLBSA-N -1 1 392.420 1.001 20 0 GDADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000825256381 604192681 /nfs/dbraw/zinc/19/26/81/604192681.db2.gz XACBIAKTVWULMK-HZPDHXFCSA-N -1 1 392.475 1.842 20 0 GDADMM O=S(=O)(NCCOc1ncccc1F)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826491466 607679473 /nfs/dbraw/zinc/67/94/73/607679473.db2.gz KTCYXTIUTXRFAH-UHFFFAOYSA-N -1 1 398.807 1.412 20 0 GDADMM O=S(=O)(NCCOc1ncccc1F)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826491466 607679474 /nfs/dbraw/zinc/67/94/74/607679474.db2.gz KTCYXTIUTXRFAH-UHFFFAOYSA-N -1 1 398.807 1.412 20 0 GDADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N1CCC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000825457733 604260656 /nfs/dbraw/zinc/26/06/56/604260656.db2.gz AQTLBCFFWXYTQZ-RWMBFGLXSA-N -1 1 387.440 1.576 20 0 GDADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)CCNC(=O)c2n[nH]c3ccccc32)C1 ZINC000825209687 604262601 /nfs/dbraw/zinc/26/26/01/604262601.db2.gz FHPCKTPCYKNPRH-QWHCGFSZSA-N -1 1 387.440 1.578 20 0 GDADMM CN(CC(=O)NCCN(C(=O)[O-])C1CCCCCC1)c1ncnc2[nH]cnc21 ZINC000828108050 604267645 /nfs/dbraw/zinc/26/76/45/604267645.db2.gz KZMCSVAXXZLBKG-UHFFFAOYSA-N -1 1 389.460 1.608 20 0 GDADMM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000833104786 604368647 /nfs/dbraw/zinc/36/86/47/604368647.db2.gz FDMOUDGHOSKBOW-GTCCEBARSA-N -1 1 399.491 1.907 20 0 GDADMM CS[C@@H]1CN(S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)C[C@H]1N(C)C ZINC000833738757 604466118 /nfs/dbraw/zinc/46/61/18/604466118.db2.gz RHKMNZBLEYXNKT-VXGBXAGGSA-N -1 1 380.438 1.329 20 0 GDADMM CN(C)S(=O)(=O)c1ccsc1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833691133 604502195 /nfs/dbraw/zinc/50/21/95/604502195.db2.gz LWGZWPHHSMKGQN-UHFFFAOYSA-N -1 1 394.434 1.825 20 0 GDADMM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)NC2CCN(Cc3ccccn3)CC2)CCO1 ZINC000825309235 604535323 /nfs/dbraw/zinc/53/53/23/604535323.db2.gz JBQQKRNWTKLDHJ-YOEHRIQHSA-N -1 1 391.472 1.113 20 0 GDADMM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)NCc2ccc(F)c(CN(C)C)c2)CCO1 ZINC000825317129 604552908 /nfs/dbraw/zinc/55/29/08/604552908.db2.gz BODHHFPJFZPIGO-BLLLJJGKSA-N -1 1 382.436 1.454 20 0 GDADMM CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)NC2CN(C(=O)[O-])C2)CC1 ZINC000829780097 604583247 /nfs/dbraw/zinc/58/32/47/604583247.db2.gz BLLPRMYWHCQBNX-ZDUSSCGKSA-N -1 1 393.463 1.690 20 0 GDADMM C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)N2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000825382091 604614961 /nfs/dbraw/zinc/61/49/61/604614961.db2.gz ALUMNNIRDOCYLP-WBVHZDCISA-N -1 1 390.484 1.879 20 0 GDADMM C[C@H](NC(=O)[O-])c1ccc(CNC(=O)N2CCN(CC(C)(C)O)CC2)cc1 ZINC000825383454 604615523 /nfs/dbraw/zinc/61/55/23/604615523.db2.gz RQTUAFILUGTWSS-AWEZNQCLSA-N -1 1 378.473 1.613 20 0 GDADMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccnn1-c1ccc(C)nn1 ZINC000832208866 604621823 /nfs/dbraw/zinc/62/18/23/604621823.db2.gz ZITATGJLEGSTFG-UHFFFAOYSA-N -1 1 389.393 1.478 20 0 GDADMM C[C@@H](c1ccccc1)N1CC[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])nc2)C1 ZINC000833548754 604691571 /nfs/dbraw/zinc/69/15/71/604691571.db2.gz MDLLNBVZBTYMNE-ZFWWWQNUSA-N -1 1 375.450 1.894 20 0 GDADMM CC(C)CNS(=O)(=O)c1ccc(CN[C@H](C(=O)[O-])c2cccnc2)cc1 ZINC000833489533 604751883 /nfs/dbraw/zinc/75/18/83/604751883.db2.gz OAIPLCSBSGAGNP-KRWDZBQOSA-N -1 1 377.466 1.931 20 0 GDADMM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000824182775 604767592 /nfs/dbraw/zinc/76/75/92/604767592.db2.gz LPDMCIQODOZAIM-NSHDSACASA-N -1 1 378.454 1.484 20 0 GDADMM O=C([O-])COc1ccc(NC(=O)C(=O)N[C@@H]2CCCc3cn[nH]c32)cc1Cl ZINC000833254230 604832146 /nfs/dbraw/zinc/83/21/46/604832146.db2.gz INTHBKORLQBTKB-GFCCVEGCSA-N -1 1 392.799 1.659 20 0 GDADMM CC(C)(C(=O)[O-])[C@H]1CCCN(CN2C(=O)C(=O)N(C3CCCCC3)C2=O)C1 ZINC000833421055 604867609 /nfs/dbraw/zinc/86/76/09/604867609.db2.gz HESFKQZQWVEIBJ-ZDUSSCGKSA-N -1 1 379.457 1.890 20 0 GDADMM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1c1cc(-n2cccn2)nc(N)n1 ZINC000568274663 604868878 /nfs/dbraw/zinc/86/88/78/604868878.db2.gz JOENRAAQPBVYGO-CYBMUJFWSA-N -1 1 379.424 1.658 20 0 GDADMM CCOc1cc(C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)ccc1OCC(=O)[O-] ZINC000833663941 604908007 /nfs/dbraw/zinc/90/80/07/604908007.db2.gz WSMIBDLNFUNLJW-UHFFFAOYSA-N -1 1 398.375 1.776 20 0 GDADMM CC[C@H](CO)N1CCN(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)CC1 ZINC000828890808 604913318 /nfs/dbraw/zinc/91/33/18/604913318.db2.gz MXEYFVCBIPEHQW-CYBMUJFWSA-N -1 1 385.848 1.724 20 0 GDADMM CC[C@H](C)OCC(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000825073709 607723425 /nfs/dbraw/zinc/72/34/25/607723425.db2.gz AUCYPRPSUQNHCE-LBPRGKRZSA-N -1 1 399.411 1.349 20 0 GDADMM CC[C@H](C)OCC(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000825073709 607723426 /nfs/dbraw/zinc/72/34/26/607723426.db2.gz AUCYPRPSUQNHCE-LBPRGKRZSA-N -1 1 399.411 1.349 20 0 GDADMM COc1cc2c(cc1OC)CCN([C@@H](C)C(=O)N1CCC(C(=O)[O-])CC1)CC2 ZINC000832102793 604968757 /nfs/dbraw/zinc/96/87/57/604968757.db2.gz IKVXCBODAXZVCC-AWEZNQCLSA-N -1 1 390.480 1.816 20 0 GDADMM C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cc(C(=O)[O-])n(C)c2)CN1Cc1ccccc1 ZINC000833596526 605031399 /nfs/dbraw/zinc/03/13/99/605031399.db2.gz LPLJLALYSBLHIJ-HIFRSBDPSA-N -1 1 384.436 1.441 20 0 GDADMM O=C([O-])c1cc(S(=O)(=O)NC[C@H](O)CN2CCCCC2)ccc1Cl ZINC000833780459 605031733 /nfs/dbraw/zinc/03/17/33/605031733.db2.gz TXSXPJXHQCWAFR-NSHDSACASA-N -1 1 376.862 1.163 20 0 GDADMM Cc1nc2ccccc2n1CCCNC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833757015 605046534 /nfs/dbraw/zinc/04/65/34/605046534.db2.gz UOKNCLSUTPYGBD-HNNXBMFYSA-N -1 1 387.484 1.925 20 0 GDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCCc1nnc2n1CCCCC2 ZINC000833625531 605050137 /nfs/dbraw/zinc/05/01/37/605050137.db2.gz MUATUOWSQHNJCU-HNNXBMFYSA-N -1 1 392.504 1.128 20 0 GDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCCNC(=O)c1ccc(F)cc1 ZINC000833627634 605052404 /nfs/dbraw/zinc/05/24/04/605052404.db2.gz YCIZAQJRZLSJIT-AWEZNQCLSA-N -1 1 394.447 1.136 20 0 GDADMM COc1ccccc1N1CC[C@H](NC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)C1 ZINC000833736671 605057177 /nfs/dbraw/zinc/05/71/77/605057177.db2.gz TXXHJWZQESBRDE-HOTGVXAUSA-N -1 1 390.484 1.464 20 0 GDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000833623160 605096162 /nfs/dbraw/zinc/09/61/62/605096162.db2.gz RBKLMOSRTNHYRH-CHWSQXEVSA-N -1 1 395.406 1.325 20 0 GDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000833626350 605096497 /nfs/dbraw/zinc/09/64/97/605096497.db2.gz ZWFWVZBYVSPJKD-STQMWFEESA-N -1 1 395.406 1.325 20 0 GDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000833620564 605101661 /nfs/dbraw/zinc/10/16/61/605101661.db2.gz LFZZIOVLFDYKMN-HUUCEWRRSA-N -1 1 383.489 1.641 20 0 GDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000833625074 605111742 /nfs/dbraw/zinc/11/17/42/605111742.db2.gz WCWBDHOVMVHVKH-KBPBESRZSA-N -1 1 393.871 1.700 20 0 GDADMM COC(=O)c1cc(NC(=O)CN[C@@H](CO)c2ccccc2C)cc(C(=O)[O-])c1 ZINC000833714951 605139757 /nfs/dbraw/zinc/13/97/57/605139757.db2.gz MCGDZGMXFPDMNG-KRWDZBQOSA-N -1 1 386.404 1.742 20 0 GDADMM CS[C@@H]1CN(S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)C[C@@H]1N(C)C ZINC000833738687 605144046 /nfs/dbraw/zinc/14/40/46/605144046.db2.gz PZDMXEQRXKJYEL-LSDHHAIUSA-N -1 1 384.523 1.469 20 0 GDADMM CC(C)(C)OC(=O)N1CCC2(CCN(CN3C[C@H](C(=O)[O-])CC3=O)C2)CC1 ZINC000833437654 605177212 /nfs/dbraw/zinc/17/72/12/605177212.db2.gz UXHYHYIRPFGFMC-CQSZACIVSA-N -1 1 381.473 1.600 20 0 GDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1CC(=O)Nc1nc2ccc(F)cc2s1 ZINC000833628152 605192933 /nfs/dbraw/zinc/19/29/33/605192933.db2.gz BZIOAXFPNDFALC-LLVKDONJSA-N -1 1 380.445 1.855 20 0 GDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000833626210 605206749 /nfs/dbraw/zinc/20/67/49/605206749.db2.gz YPHZAQRXZLJFRO-WDEREUQCSA-N -1 1 388.390 1.541 20 0 GDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NC[C@@H]1COC2(CCCCCC2)O1 ZINC000833626236 605216256 /nfs/dbraw/zinc/21/62/56/605216256.db2.gz PFSUACNIBSIMDP-HZPDHXFCSA-N -1 1 383.489 1.643 20 0 GDADMM C[C@H]1CN(C(=O)[C@H](c2ccccc2)N2CCSCC2)CCN1CCC(=O)[O-] ZINC000833619263 605251174 /nfs/dbraw/zinc/25/11/74/605251174.db2.gz TYEUHHFSTKCPOE-LPHOPBHVSA-N -1 1 391.537 1.784 20 0 GDADMM C[C@H]1CN(C(=O)c2nn(-c3ccccc3)c3c2CCC3)CCN1CCC(=O)[O-] ZINC000833622319 605252240 /nfs/dbraw/zinc/25/22/40/605252240.db2.gz LOUXSSQVONRIKV-HNNXBMFYSA-N -1 1 382.464 1.982 20 0 GDADMM CC(=O)N[C@H](CC(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1)c1ccc(Cl)cc1 ZINC000833395628 605255397 /nfs/dbraw/zinc/25/53/97/605255397.db2.gz QPHISHVTMDSDGF-CXAGYDPISA-N -1 1 395.887 1.915 20 0 GDADMM C[C@H]1CN(C(=O)[C@H]2CCCN(C(=O)NC3CCCC3)C2)CCN1CCC(=O)[O-] ZINC000833618196 605278207 /nfs/dbraw/zinc/27/82/07/605278207.db2.gz LRODPYUKPKLYCK-HOTGVXAUSA-N -1 1 394.516 1.358 20 0 GDADMM O=C([O-])N1CCC[C@@H](OCC(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)C1 ZINC000831516721 605298185 /nfs/dbraw/zinc/29/81/85/605298185.db2.gz ISXLUZDNOKZMAI-CYBMUJFWSA-N -1 1 377.376 1.386 20 0 GDADMM O=C([O-])N1CCC[C@@H](OCC(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)C1 ZINC000831516721 605298188 /nfs/dbraw/zinc/29/81/88/605298188.db2.gz ISXLUZDNOKZMAI-CYBMUJFWSA-N -1 1 377.376 1.386 20 0 GDADMM O=C([O-])N[C@@H]1CCC[C@H]2CN(CN3C(=O)C(=O)N(C4CCCC4)C3=O)C[C@H]21 ZINC000834186997 605332589 /nfs/dbraw/zinc/33/25/89/605332589.db2.gz XYQCCVFAVKRRBK-IACUBPJLSA-N -1 1 378.429 1.045 20 0 GDADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N1CC[C@@H](NC(=O)[O-])C[C@@H]1C ZINC000829821080 605364189 /nfs/dbraw/zinc/36/41/89/605364189.db2.gz MUSDQVLCZIUPDU-CMPLNLGQSA-N -1 1 386.412 1.137 20 0 GDADMM COC(=O)C1=C(C)O[C@@H](CN2CCN(C[C@@H]3CC(C(=O)[O-])=C(C)O3)C[C@H]2C)C1 ZINC000833703960 605366646 /nfs/dbraw/zinc/36/66/46/605366646.db2.gz NIGXOQQVBMNFOA-UHOFOFEASA-N -1 1 394.468 1.376 20 0 GDADMM COC(=O)c1cc(NC(=O)[C@H](C)N(C)C[C@H]2CCCC[C@@H]2O)cc(C(=O)[O-])c1 ZINC000833712272 605393882 /nfs/dbraw/zinc/39/38/82/605393882.db2.gz BYBBQFTVSVEMGG-AHIWAGSCSA-N -1 1 392.452 1.981 20 0 GDADMM O=C([O-])NCC(=O)NCC(=O)Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1 ZINC000834198096 605395177 /nfs/dbraw/zinc/39/51/77/605395177.db2.gz BKQQSZMDLHJHGD-UHFFFAOYSA-N -1 1 385.355 1.691 20 0 GDADMM COC(=O)NC(C)(C)C(=O)Nc1ccc(-c2nc(CNC(=O)[O-])n[nH]2)cc1 ZINC000828713845 605438160 /nfs/dbraw/zinc/43/81/60/605438160.db2.gz LQQJANDFBGSWJZ-UHFFFAOYSA-N -1 1 376.373 1.312 20 0 GDADMM COC(=O)NC(C)(C)C(=O)Nc1ccc(-c2n[nH]c(CNC(=O)[O-])n2)cc1 ZINC000828713845 605438164 /nfs/dbraw/zinc/43/81/64/605438164.db2.gz LQQJANDFBGSWJZ-UHFFFAOYSA-N -1 1 376.373 1.312 20 0 GDADMM Cc1cc(CNC(=O)C(=O)Nc2cc(F)c(Br)cc2C(=O)[O-])n[nH]1 ZINC000833745558 605473209 /nfs/dbraw/zinc/47/32/09/605473209.db2.gz NXFZYAFDDFCONH-UHFFFAOYSA-N -1 1 399.176 1.573 20 0 GDADMM O=C([O-])N1CCC[C@@H]1C(=O)NC[C@H]1CCCN(CCOCC(F)(F)F)C1 ZINC000834027577 605521815 /nfs/dbraw/zinc/52/18/15/605521815.db2.gz MAHRBFYRKQBHTF-CHWSQXEVSA-N -1 1 381.395 1.536 20 0 GDADMM CC(C)(CNC(=O)[O-])NC(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000823986525 605562534 /nfs/dbraw/zinc/56/25/34/605562534.db2.gz SBZIDAFLIKBORJ-UHFFFAOYSA-N -1 1 377.489 1.544 20 0 GDADMM CCOc1cc(CN2CC[C@H](NC(=O)[O-])C2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000833861506 605566324 /nfs/dbraw/zinc/56/63/24/605566324.db2.gz KCMNPPPSEVVZRQ-ZFWWWQNUSA-N -1 1 379.457 1.783 20 0 GDADMM O=C([O-])N1CCc2ccccc2[C@H]1C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000831284296 605640492 /nfs/dbraw/zinc/64/04/92/605640492.db2.gz UVMDDNLFAWQOIR-IBGZPJMESA-N -1 1 387.480 1.835 20 0 GDADMM O=C([O-])N1CCC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2cnc3cnccn23)C1 ZINC000834026278 605685920 /nfs/dbraw/zinc/68/59/20/605685920.db2.gz MANNVDCZBHCGGM-HOCLYGCPSA-N -1 1 386.456 1.200 20 0 GDADMM C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C[NH+]1CCC(NC(=O)[O-])CC1 ZINC000826067292 605736510 /nfs/dbraw/zinc/73/65/10/605736510.db2.gz JPPDHHHELJLDSY-KRWDZBQOSA-N -1 1 388.512 1.841 20 0 GDADMM Cc1nc(S(=O)(=O)N[C@@H]2CCCN(C(=O)[O-])C2)sc1Br ZINC000833916967 605783854 /nfs/dbraw/zinc/78/38/54/605783854.db2.gz UQXPDENXXKATGG-SSDOTTSWSA-N -1 1 384.277 1.635 20 0 GDADMM COCCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])C1 ZINC000833724638 605923441 /nfs/dbraw/zinc/92/34/41/605923441.db2.gz QGGDTIZNRSVUKC-CQSZACIVSA-N -1 1 377.441 1.284 20 0 GDADMM N=C(NOCc1nnc(-c2cccc(Cl)c2)o1)[C@@H]1COCCN1C(=O)[O-] ZINC000833981687 605924909 /nfs/dbraw/zinc/92/49/09/605924909.db2.gz VKGWEOYFIHOVBE-NSHDSACASA-N -1 1 381.776 1.767 20 0 GDADMM N=C(NOCc1ccc(S(=O)(=O)C(F)F)cc1)[C@@H]1COCCN1C(=O)[O-] ZINC000833981497 605924991 /nfs/dbraw/zinc/92/49/91/605924991.db2.gz UTAQYXRDYDTPQN-NSHDSACASA-N -1 1 393.368 1.060 20 0 GDADMM Cc1oc(NC(=O)COC(=O)c2cc(C(C)C)nn2C)c(-c2nn[n-]n2)c1C ZINC000822549212 606131553 /nfs/dbraw/zinc/13/15/53/606131553.db2.gz VXYIKNFWDWILMK-UHFFFAOYSA-N -1 1 387.400 1.729 20 0 GDADMM Cc1oc(NC(=O)COC(=O)c2cc(C(C)C)n(C)n2)c(-c2nn[n-]n2)c1C ZINC000822549371 606131734 /nfs/dbraw/zinc/13/17/34/606131734.db2.gz XRSYYGXXTLGVPQ-UHFFFAOYSA-N -1 1 387.400 1.729 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000820512484 606139179 /nfs/dbraw/zinc/13/91/79/606139179.db2.gz LMBQNDOQEKAJFN-MRVPVSSYSA-N -1 1 387.377 1.841 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000820512484 606139181 /nfs/dbraw/zinc/13/91/81/606139181.db2.gz LMBQNDOQEKAJFN-MRVPVSSYSA-N -1 1 387.377 1.841 20 0 GDADMM COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)c1C ZINC000821666984 606139831 /nfs/dbraw/zinc/13/98/31/606139831.db2.gz OXWJLAXJZZLIFR-UHFFFAOYSA-N -1 1 389.393 1.699 20 0 GDADMM COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)c1C ZINC000821666984 606139833 /nfs/dbraw/zinc/13/98/33/606139833.db2.gz OXWJLAXJZZLIFR-UHFFFAOYSA-N -1 1 389.393 1.699 20 0 GDADMM CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC000821014541 606156571 /nfs/dbraw/zinc/15/65/71/606156571.db2.gz IPVAQCKJVBTNQI-NEPJUHHUSA-N -1 1 389.464 1.149 20 0 GDADMM CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC000821014541 606156572 /nfs/dbraw/zinc/15/65/72/606156572.db2.gz IPVAQCKJVBTNQI-NEPJUHHUSA-N -1 1 389.464 1.149 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)n1 ZINC000822620271 606158247 /nfs/dbraw/zinc/15/82/47/606158247.db2.gz PNEPWNQTNMPZKH-UHFFFAOYSA-N -1 1 395.427 1.158 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)n1 ZINC000822620271 606158249 /nfs/dbraw/zinc/15/82/49/606158249.db2.gz PNEPWNQTNMPZKH-UHFFFAOYSA-N -1 1 395.427 1.158 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccc(CN3CCCC3=O)cc2)n1 ZINC000822620436 606167723 /nfs/dbraw/zinc/16/77/23/606167723.db2.gz QJYJWCNNGKIRQN-UHFFFAOYSA-N -1 1 395.427 1.044 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccc(CN3CCCC3=O)cc2)n1 ZINC000822620436 606167724 /nfs/dbraw/zinc/16/77/24/606167724.db2.gz QJYJWCNNGKIRQN-UHFFFAOYSA-N -1 1 395.427 1.044 20 0 GDADMM COC(=O)C(C)(C)c1ccc(NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000821638981 606172956 /nfs/dbraw/zinc/17/29/56/606172956.db2.gz MLEUBOATOKGNQU-UHFFFAOYSA-N -1 1 384.400 1.695 20 0 GDADMM COC(=O)C(C)(C)c1ccc(NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000821638981 606172957 /nfs/dbraw/zinc/17/29/57/606172957.db2.gz MLEUBOATOKGNQU-UHFFFAOYSA-N -1 1 384.400 1.695 20 0 GDADMM Cc1nc(N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)nc(C)c1CC(C)C ZINC000822449482 606199032 /nfs/dbraw/zinc/19/90/32/606199032.db2.gz BEVJRQKSPIAVIU-UHFFFAOYSA-N -1 1 384.492 1.846 20 0 GDADMM Cc1nc(N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)nc(C)c1CC(C)C ZINC000822449482 606199034 /nfs/dbraw/zinc/19/90/34/606199034.db2.gz BEVJRQKSPIAVIU-UHFFFAOYSA-N -1 1 384.492 1.846 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(=O)n(-c3cccc(F)c3)c2)n1 ZINC000822619552 606260995 /nfs/dbraw/zinc/26/09/95/606260995.db2.gz AKALBEQVGNKJJA-UHFFFAOYSA-N -1 1 380.343 1.143 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(=O)n(-c3cccc(F)c3)c2)n1 ZINC000822619552 606260996 /nfs/dbraw/zinc/26/09/96/606260996.db2.gz AKALBEQVGNKJJA-UHFFFAOYSA-N -1 1 380.343 1.143 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)Nc2cnc3n[nH]c(C)c3c2)cc1-c1nn[n-]n1 ZINC000821979812 606262210 /nfs/dbraw/zinc/26/22/10/606262210.db2.gz YMEZBOCVGHTZTB-UHFFFAOYSA-N -1 1 383.397 1.521 20 0 GDADMM O=C(CCNC(=O)c1[nH]nc2ccccc21)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822969613 606293364 /nfs/dbraw/zinc/29/33/64/606293364.db2.gz TVPKFKKBRWUDTF-UHFFFAOYSA-N -1 1 392.379 1.207 20 0 GDADMM CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1 ZINC000821292977 606293828 /nfs/dbraw/zinc/29/38/28/606293828.db2.gz HICGURKCUGXIJY-UHFFFAOYSA-N -1 1 388.409 1.123 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000822004528 606294254 /nfs/dbraw/zinc/29/42/54/606294254.db2.gz IREAYKJDPVJUOH-UHFFFAOYSA-N -1 1 396.455 1.646 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000823290276 606295600 /nfs/dbraw/zinc/29/56/00/606295600.db2.gz VPMZEBYACYQFBS-LLVKDONJSA-N -1 1 382.355 1.703 20 0 GDADMM CCn1ncc2c1CCC[C@@H]2NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821568125 606332774 /nfs/dbraw/zinc/33/27/74/606332774.db2.gz IJQISDLNADAYES-AWEZNQCLSA-N -1 1 391.432 1.578 20 0 GDADMM COC(=O)[C@@H](OC(=O)c1c([O-])cc(F)cc1F)c1cccc(-c2nn[nH]n2)c1 ZINC000821648685 606373460 /nfs/dbraw/zinc/37/34/60/606373460.db2.gz PXEHVDOIRZYMAI-AWEZNQCLSA-N -1 1 390.302 1.922 20 0 GDADMM CCCCO[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1(C)C ZINC000821072940 606433728 /nfs/dbraw/zinc/43/37/28/606433728.db2.gz XBTVZZKIOUWRPS-CABCVRRESA-N -1 1 394.501 1.866 20 0 GDADMM CCCCO[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1(C)C ZINC000821072940 606433730 /nfs/dbraw/zinc/43/37/30/606433730.db2.gz XBTVZZKIOUWRPS-CABCVRRESA-N -1 1 394.501 1.866 20 0 GDADMM CC(C)c1nc([C@H]2CN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CCO2)no1 ZINC000820202050 606461959 /nfs/dbraw/zinc/46/19/59/606461959.db2.gz FBWLTVVSCYOZCW-SNVBAGLBSA-N -1 1 376.808 1.999 20 0 GDADMM CC(C)c1nc([C@H]2CN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CCO2)no1 ZINC000820202050 606461961 /nfs/dbraw/zinc/46/19/61/606461961.db2.gz FBWLTVVSCYOZCW-SNVBAGLBSA-N -1 1 376.808 1.999 20 0 GDADMM CN(Cc1nc(-c2cccnc2)no1)c1c2ccccc2nnc1-c1nnn[n-]1 ZINC000821616944 606480926 /nfs/dbraw/zinc/48/09/26/606480926.db2.gz PJTJNDRBINTBJQ-UHFFFAOYSA-N -1 1 386.379 1.891 20 0 GDADMM CN(Cc1nc(-c2cccnc2)no1)c1c2ccccc2nnc1-c1nn[n-]n1 ZINC000821616944 606480928 /nfs/dbraw/zinc/48/09/28/606480928.db2.gz PJTJNDRBINTBJQ-UHFFFAOYSA-N -1 1 386.379 1.891 20 0 GDADMM Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822266555 606489104 /nfs/dbraw/zinc/48/91/04/606489104.db2.gz CJODJIKQVPRCJH-UHFFFAOYSA-N -1 1 392.466 1.739 20 0 GDADMM Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822266555 606489105 /nfs/dbraw/zinc/48/91/05/606489105.db2.gz CJODJIKQVPRCJH-UHFFFAOYSA-N -1 1 392.466 1.739 20 0 GDADMM CN(c1ccc(OC(=O)c2ccc(-c3nnn[n-]3)s2)cc1)S(C)(=O)=O ZINC000821619452 606511741 /nfs/dbraw/zinc/51/17/41/606511741.db2.gz YFBOOEAKYCWVRX-UHFFFAOYSA-N -1 1 379.423 1.543 20 0 GDADMM CN(c1ccc(OC(=O)c2ccc(-c3nn[n-]n3)s2)cc1)S(C)(=O)=O ZINC000821619452 606511743 /nfs/dbraw/zinc/51/17/43/606511743.db2.gz YFBOOEAKYCWVRX-UHFFFAOYSA-N -1 1 379.423 1.543 20 0 GDADMM CS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821927167 606517193 /nfs/dbraw/zinc/51/71/93/606517193.db2.gz SJQPEPKCFMJDTO-UHFFFAOYSA-N -1 1 377.451 1.403 20 0 GDADMM CS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821927167 606517195 /nfs/dbraw/zinc/51/71/95/606517195.db2.gz SJQPEPKCFMJDTO-UHFFFAOYSA-N -1 1 377.451 1.403 20 0 GDADMM COC(=O)[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1cc(F)ccc1F ZINC000821640254 606546258 /nfs/dbraw/zinc/54/62/58/606546258.db2.gz DSCUWXQXFFDBCN-GFCCVEGCSA-N -1 1 379.348 1.851 20 0 GDADMM COC(=O)[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1cc(F)ccc1F ZINC000821640254 606546260 /nfs/dbraw/zinc/54/62/60/606546260.db2.gz DSCUWXQXFFDBCN-GFCCVEGCSA-N -1 1 379.348 1.851 20 0 GDADMM O=C(N[C@H](C(=O)Nc1cc[nH]n1)c1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823140726 606553166 /nfs/dbraw/zinc/55/31/66/606553166.db2.gz YPOSUDPCJPCIMX-AWEZNQCLSA-N -1 1 394.420 1.761 20 0 GDADMM O=C(N[C@H](C(=O)Nc1cc[nH]n1)c1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823140726 606553167 /nfs/dbraw/zinc/55/31/67/606553167.db2.gz YPOSUDPCJPCIMX-AWEZNQCLSA-N -1 1 394.420 1.761 20 0 GDADMM COc1cccc(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)n1 ZINC000821859724 606554097 /nfs/dbraw/zinc/55/40/97/606554097.db2.gz RZPGDCGGMZKJKY-UHFFFAOYSA-N -1 1 396.411 1.098 20 0 GDADMM CN(C(=O)c1ccc(-c2nnn[n-]2)s1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000821573441 606560434 /nfs/dbraw/zinc/56/04/34/606560434.db2.gz QFVCBFQVKPMQSU-LBPRGKRZSA-N -1 1 386.412 1.945 20 0 GDADMM CN(C(=O)c1ccc(-c2nn[n-]n2)s1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000821573441 606560435 /nfs/dbraw/zinc/56/04/35/606560435.db2.gz QFVCBFQVKPMQSU-LBPRGKRZSA-N -1 1 386.412 1.945 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCn2c(Cc3ccccc3)nnc2C1 ZINC000823488269 606573500 /nfs/dbraw/zinc/57/35/00/606573500.db2.gz KSLPHJRGNZUDMQ-UHFFFAOYSA-N -1 1 392.448 1.767 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCn2c(Cc3ccccc3)nnc2C1 ZINC000823488269 606573501 /nfs/dbraw/zinc/57/35/01/606573501.db2.gz KSLPHJRGNZUDMQ-UHFFFAOYSA-N -1 1 392.448 1.767 20 0 GDADMM COC(=O)c1cc(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)cn1C ZINC000821667916 606587655 /nfs/dbraw/zinc/58/76/55/606587655.db2.gz GSCZTTQIENIPFO-UHFFFAOYSA-N -1 1 399.411 1.281 20 0 GDADMM CCOC(=O)N1CCN(Cc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)CC1 ZINC000821334813 606638604 /nfs/dbraw/zinc/63/86/04/606638604.db2.gz QGSNBJJSIAUELD-UHFFFAOYSA-N -1 1 396.455 1.635 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N(CCCO)[C@@H]2CCc3ccccc32)n1 ZINC000822604635 606642778 /nfs/dbraw/zinc/64/27/78/606642778.db2.gz IUMGZOYDNFNDDU-OAHLLOKOSA-N -1 1 382.428 1.504 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N(CCCO)[C@@H]2CCc3ccccc32)n1 ZINC000822604635 606642779 /nfs/dbraw/zinc/64/27/79/606642779.db2.gz IUMGZOYDNFNDDU-OAHLLOKOSA-N -1 1 382.428 1.504 20 0 GDADMM C[C@@H]1Oc2ccccc2N(CCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)C1=O ZINC000820821405 606646629 /nfs/dbraw/zinc/64/66/29/606646629.db2.gz SSAAWDSUYOHNCD-LBPRGKRZSA-N -1 1 394.391 1.509 20 0 GDADMM C[C@@H]1Oc2ccccc2N(CCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)C1=O ZINC000820821405 606646630 /nfs/dbraw/zinc/64/66/30/606646630.db2.gz SSAAWDSUYOHNCD-LBPRGKRZSA-N -1 1 394.391 1.509 20 0 GDADMM O=C(CCc1nc2ccccc2c(=O)[nH]1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822986249 606648266 /nfs/dbraw/zinc/64/82/66/606648266.db2.gz BEUHDFCMGGTSPI-UHFFFAOYSA-N -1 1 377.364 1.587 20 0 GDADMM O=C(CCc1nc2ccccc2c(=O)[nH]1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822986249 606648267 /nfs/dbraw/zinc/64/82/67/606648267.db2.gz BEUHDFCMGGTSPI-UHFFFAOYSA-N -1 1 377.364 1.587 20 0 GDADMM Cc1c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)nnn1-c1ccc(C)cc1 ZINC000822225111 606648737 /nfs/dbraw/zinc/64/87/37/606648737.db2.gz OSOOBFQGXMSQLE-UHFFFAOYSA-N -1 1 376.380 1.816 20 0 GDADMM Cc1c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)nnn1-c1ccc(C)cc1 ZINC000822225111 606648738 /nfs/dbraw/zinc/64/87/38/606648738.db2.gz OSOOBFQGXMSQLE-UHFFFAOYSA-N -1 1 376.380 1.816 20 0 GDADMM C[C@@H](C(=O)OCc1ccnc(-c2nnn[n-]2)c1)n1nnc(-c2ccccc2)n1 ZINC000819883972 606650092 /nfs/dbraw/zinc/65/00/92/606650092.db2.gz PNBPQAZFDBTNCA-NSHDSACASA-N -1 1 377.368 1.220 20 0 GDADMM C[C@@H](C(=O)OCc1ccnc(-c2nn[n-]n2)c1)n1nnc(-c2ccccc2)n1 ZINC000819883972 606650093 /nfs/dbraw/zinc/65/00/93/606650093.db2.gz PNBPQAZFDBTNCA-NSHDSACASA-N -1 1 377.368 1.220 20 0 GDADMM CN1C(=O)CC[C@H](C(=O)OCc2ccnc(-c3nnn[n-]3)c2)[C@@H]1c1ccccc1 ZINC000821618982 606653503 /nfs/dbraw/zinc/65/35/03/606653503.db2.gz DIIRSBFFPVTHLD-YJBOKZPZSA-N -1 1 392.419 1.915 20 0 GDADMM CN1C(=O)CC[C@H](C(=O)OCc2ccnc(-c3nn[n-]n3)c2)[C@@H]1c1ccccc1 ZINC000821618982 606653504 /nfs/dbraw/zinc/65/35/04/606653504.db2.gz DIIRSBFFPVTHLD-YJBOKZPZSA-N -1 1 392.419 1.915 20 0 GDADMM COc1ccc([C@H](CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)NC(C)=O)cc1 ZINC000821777525 606653650 /nfs/dbraw/zinc/65/36/50/606653650.db2.gz HFIWVHDHXQPTLL-INIZCTEOSA-N -1 1 396.407 1.581 20 0 GDADMM COc1ccc([C@H](CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)NC(C)=O)cc1 ZINC000821777525 606653651 /nfs/dbraw/zinc/65/36/51/606653651.db2.gz HFIWVHDHXQPTLL-INIZCTEOSA-N -1 1 396.407 1.581 20 0 GDADMM COC(=O)[C@@H]1CN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)C[C@@H]1C ZINC000821655729 606690144 /nfs/dbraw/zinc/69/01/44/606690144.db2.gz QNIOBKAUPPDOOI-CMPLNLGQSA-N -1 1 384.396 1.440 20 0 GDADMM COC(=O)[C@@H]1CN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)C[C@@H]1C ZINC000821655729 606690145 /nfs/dbraw/zinc/69/01/45/606690145.db2.gz QNIOBKAUPPDOOI-CMPLNLGQSA-N -1 1 384.396 1.440 20 0 GDADMM COC(=O)[C@@H]1CN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)C[C@H]1C ZINC000821655732 606690235 /nfs/dbraw/zinc/69/02/35/606690235.db2.gz QNIOBKAUPPDOOI-ZYHUDNBSSA-N -1 1 384.396 1.440 20 0 GDADMM COC(=O)[C@@H]1CN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)C[C@H]1C ZINC000821655732 606690236 /nfs/dbraw/zinc/69/02/36/606690236.db2.gz QNIOBKAUPPDOOI-ZYHUDNBSSA-N -1 1 384.396 1.440 20 0 GDADMM CC(C)[C@H](CO)N(Cc1ccccc1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820021452 606697098 /nfs/dbraw/zinc/69/70/98/606697098.db2.gz UGSFWTSHBAYOFS-HNNXBMFYSA-N -1 1 384.444 1.651 20 0 GDADMM CC(C)[C@H](CO)N(Cc1ccccc1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820021452 606697099 /nfs/dbraw/zinc/69/70/99/606697099.db2.gz UGSFWTSHBAYOFS-HNNXBMFYSA-N -1 1 384.444 1.651 20 0 GDADMM Cn1cc([C@@]2(C)CN(c3cc(-c4nnn[n-]4)nc4ccccc43)CCO2)cn1 ZINC000822674276 606730011 /nfs/dbraw/zinc/73/00/11/606730011.db2.gz PKIDHQCEZUMUJX-LJQANCHMSA-N -1 1 376.424 1.900 20 0 GDADMM Cn1cc([C@@]2(C)CN(c3cc(-c4nn[n-]n4)nc4ccccc43)CCO2)cn1 ZINC000822674276 606730013 /nfs/dbraw/zinc/73/00/13/606730013.db2.gz PKIDHQCEZUMUJX-LJQANCHMSA-N -1 1 376.424 1.900 20 0 GDADMM CCOc1cccnc1C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000821438165 606752601 /nfs/dbraw/zinc/75/26/01/606752601.db2.gz USGWARKJXUJKLX-UHFFFAOYSA-N -1 1 386.368 1.666 20 0 GDADMM O=C([O-])c1c(F)cccc1NS(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1 ZINC000823387237 606763996 /nfs/dbraw/zinc/76/39/96/606763996.db2.gz GLOFAQVJEZANPZ-UHFFFAOYSA-N -1 1 381.320 1.644 20 0 GDADMM CC(C)C[C@@H]1CC(=O)N(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)C1 ZINC000820062471 606769099 /nfs/dbraw/zinc/76/90/99/606769099.db2.gz MMHPRYCDNPWJMI-HUUCEWRRSA-N -1 1 399.503 1.019 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)cc1-c1nn[n-]n1 ZINC000821976798 606769086 /nfs/dbraw/zinc/76/90/86/606769086.db2.gz DGGWDGXJIYAVRM-FXAINCCUSA-N -1 1 376.442 1.377 20 0 GDADMM CC(C)C[C@@H]1CC(=O)N(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)C1 ZINC000820062471 606769101 /nfs/dbraw/zinc/76/91/01/606769101.db2.gz MMHPRYCDNPWJMI-HUUCEWRRSA-N -1 1 399.503 1.019 20 0 GDADMM COc1ccc(F)cc1CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821828341 606784137 /nfs/dbraw/zinc/78/41/37/606784137.db2.gz SUSOPEWAOFUEOU-GFCCVEGCSA-N -1 1 384.419 1.515 20 0 GDADMM COc1ccc(F)cc1CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821828341 606784139 /nfs/dbraw/zinc/78/41/39/606784139.db2.gz SUSOPEWAOFUEOU-GFCCVEGCSA-N -1 1 384.419 1.515 20 0 GDADMM COc1cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)ccc1NC(N)=O ZINC000821724055 606788554 /nfs/dbraw/zinc/78/85/54/606788554.db2.gz ORKLEZGUCFBRSC-UHFFFAOYSA-N -1 1 389.397 1.167 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC[C@H]1CCCS1 ZINC000822459509 606809867 /nfs/dbraw/zinc/80/98/67/606809867.db2.gz QLSMKWNDQZPUTN-GFCCVEGCSA-N -1 1 386.485 1.471 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC[C@H]1CCCS1 ZINC000822459509 606809868 /nfs/dbraw/zinc/80/98/68/606809868.db2.gz QLSMKWNDQZPUTN-GFCCVEGCSA-N -1 1 386.485 1.471 20 0 GDADMM C[C@@H]1CC[C@H](CCC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)O1 ZINC000820683479 606819391 /nfs/dbraw/zinc/81/93/91/606819391.db2.gz BVMZPYSLCIILOI-BFHYXJOUSA-N -1 1 386.460 1.042 20 0 GDADMM C[C@@H]1CC[C@H](CCC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)O1 ZINC000820683479 606819393 /nfs/dbraw/zinc/81/93/93/606819393.db2.gz BVMZPYSLCIILOI-BFHYXJOUSA-N -1 1 386.460 1.042 20 0 GDADMM CC(C)c1nc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cs1 ZINC000820203124 606819667 /nfs/dbraw/zinc/81/96/67/606819667.db2.gz QAOWLXPYPCIARR-LLVKDONJSA-N -1 1 399.484 1.588 20 0 GDADMM CC(C)c1nc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cs1 ZINC000820203124 606819669 /nfs/dbraw/zinc/81/96/69/606819669.db2.gz QAOWLXPYPCIARR-LLVKDONJSA-N -1 1 399.484 1.588 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC000820788589 606821740 /nfs/dbraw/zinc/82/17/40/606821740.db2.gz KBRISABJLXFAML-LLVKDONJSA-N -1 1 396.459 1.028 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC000820788589 606821742 /nfs/dbraw/zinc/82/17/42/606821742.db2.gz KBRISABJLXFAML-LLVKDONJSA-N -1 1 396.459 1.028 20 0 GDADMM COc1cccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1 ZINC000821857862 606822610 /nfs/dbraw/zinc/82/26/10/606822610.db2.gz BBOKUMYXIVHLAM-GFCCVEGCSA-N -1 1 380.412 1.016 20 0 GDADMM COc1cccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1 ZINC000821857862 606822613 /nfs/dbraw/zinc/82/26/13/606822613.db2.gz BBOKUMYXIVHLAM-GFCCVEGCSA-N -1 1 380.412 1.016 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc(F)cc1F ZINC000820788682 606824781 /nfs/dbraw/zinc/82/47/81/606824781.db2.gz MEEPOKZGAZFKJO-SNVBAGLBSA-N -1 1 386.366 1.286 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc(F)cc1F ZINC000820788682 606824782 /nfs/dbraw/zinc/82/47/82/606824782.db2.gz MEEPOKZGAZFKJO-SNVBAGLBSA-N -1 1 386.366 1.286 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCCc1cccs1 ZINC000820778873 606824909 /nfs/dbraw/zinc/82/49/09/606824909.db2.gz YEFDLWKPEVWLQK-CYBMUJFWSA-N -1 1 398.496 1.778 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCCc1cccs1 ZINC000820778873 606824911 /nfs/dbraw/zinc/82/49/11/606824911.db2.gz YEFDLWKPEVWLQK-CYBMUJFWSA-N -1 1 398.496 1.778 20 0 GDADMM CCc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cc1 ZINC000821475821 606825420 /nfs/dbraw/zinc/82/54/20/606825420.db2.gz ALOAEQHEQTVXGC-ZDUSSCGKSA-N -1 1 378.440 1.570 20 0 GDADMM CCc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cc1 ZINC000821475821 606825422 /nfs/dbraw/zinc/82/54/22/606825422.db2.gz ALOAEQHEQTVXGC-ZDUSSCGKSA-N -1 1 378.440 1.570 20 0 GDADMM C[C@@H]1CCC[C@H](NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)[C@H]1C ZINC000820698206 606826262 /nfs/dbraw/zinc/82/62/62/606826262.db2.gz RDDIIQBHTRLTIU-QPSCCSFWSA-N -1 1 399.503 1.702 20 0 GDADMM C[C@@H]1CCC[C@H](NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)[C@H]1C ZINC000820698206 606826263 /nfs/dbraw/zinc/82/62/63/606826263.db2.gz RDDIIQBHTRLTIU-QPSCCSFWSA-N -1 1 399.503 1.702 20 0 GDADMM Cc1ccc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cc1F ZINC000822248638 606832131 /nfs/dbraw/zinc/83/21/31/606832131.db2.gz HMSMMRSHSRRZJU-GFCCVEGCSA-N -1 1 397.418 1.847 20 0 GDADMM Cc1ccc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cc1F ZINC000822248638 606832133 /nfs/dbraw/zinc/83/21/33/606832133.db2.gz HMSMMRSHSRRZJU-GFCCVEGCSA-N -1 1 397.418 1.847 20 0 GDADMM Cc1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)no1 ZINC000822198551 606841042 /nfs/dbraw/zinc/84/10/42/606841042.db2.gz ACGRFSQEBHHMPN-ZDUSSCGKSA-N -1 1 378.389 1.828 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCO[C@@H](c2ccccc2)C1 ZINC000823607096 606841399 /nfs/dbraw/zinc/84/13/99/606841399.db2.gz QAZMHGQEMCCMCG-OAHLLOKOSA-N -1 1 389.412 1.768 20 0 GDADMM CCS[C@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)C(C)C ZINC000821449592 606855421 /nfs/dbraw/zinc/85/54/21/606855421.db2.gz VMOOAVYTIQVSCY-JSGCOSHPSA-N -1 1 390.517 1.472 20 0 GDADMM CCS[C@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)C(C)C ZINC000821449592 606855423 /nfs/dbraw/zinc/85/54/23/606855423.db2.gz VMOOAVYTIQVSCY-JSGCOSHPSA-N -1 1 390.517 1.472 20 0 GDADMM COc1ccc(F)cc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821828318 606855492 /nfs/dbraw/zinc/85/54/92/606855492.db2.gz SGDIZQDYXZUDCS-NSHDSACASA-N -1 1 398.402 1.155 20 0 GDADMM COc1ccc(F)cc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821828318 606855493 /nfs/dbraw/zinc/85/54/93/606855493.db2.gz SGDIZQDYXZUDCS-NSHDSACASA-N -1 1 398.402 1.155 20 0 GDADMM Cc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c(C)n1 ZINC000822226258 606855656 /nfs/dbraw/zinc/85/56/56/606855656.db2.gz JUYCPDSCOMDQAL-LBPRGKRZSA-N -1 1 379.428 1.019 20 0 GDADMM Cc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c(C)n1 ZINC000822226258 606855657 /nfs/dbraw/zinc/85/56/57/606855657.db2.gz JUYCPDSCOMDQAL-LBPRGKRZSA-N -1 1 379.428 1.019 20 0 GDADMM CC(C)(C)c1cc([N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)[nH]n1 ZINC000819958427 606860483 /nfs/dbraw/zinc/86/04/83/606860483.db2.gz KOZBRPLEQPQTGH-UHFFFAOYSA-N -1 1 383.384 1.966 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(C)CCC1CCOCC1 ZINC000822004361 606873070 /nfs/dbraw/zinc/87/30/70/606873070.db2.gz FZUUFDHYSQCNQN-UHFFFAOYSA-N -1 1 388.472 1.792 20 0 GDADMM CCc1nnc(Sc2nnc(NCCOC)s2)c(-c2nn[n-]n2)c1CC ZINC000821548771 606910569 /nfs/dbraw/zinc/91/05/69/606910569.db2.gz XNHREXVHOWZSQF-UHFFFAOYSA-N -1 1 393.502 1.843 20 0 GDADMM CO[C@@H](CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccccc1Cl ZINC000821676926 606955524 /nfs/dbraw/zinc/95/55/24/606955524.db2.gz KATWZFPQZVLXTA-LBPRGKRZSA-N -1 1 376.808 1.763 20 0 GDADMM CO[C@@H](CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccccc1Cl ZINC000821676926 606955526 /nfs/dbraw/zinc/95/55/26/606955526.db2.gz KATWZFPQZVLXTA-LBPRGKRZSA-N -1 1 376.808 1.763 20 0 GDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1nc(N2CCCC2)ncc1Cl ZINC000823382678 607025625 /nfs/dbraw/zinc/02/56/25/607025625.db2.gz CYDSRRHZSVUNHI-UHFFFAOYSA-N -1 1 377.821 1.619 20 0 GDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1nc(N2CCCC2)ncc1Cl ZINC000823382678 607025626 /nfs/dbraw/zinc/02/56/26/607025626.db2.gz CYDSRRHZSVUNHI-UHFFFAOYSA-N -1 1 377.821 1.619 20 0 GDADMM Nn1c(Sc2c3ccccc3nnc2-c2nn[n-]n2)nnc1-c1cccs1 ZINC000822912120 607028157 /nfs/dbraw/zinc/02/81/57/607028157.db2.gz NJYNPGZIDHPAEB-UHFFFAOYSA-N -1 1 394.449 1.995 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cn(Cc2cccc(F)c2)nn1 ZINC000823294457 607049715 /nfs/dbraw/zinc/04/97/15/607049715.db2.gz BEHHZGBUXKIGNE-UHFFFAOYSA-N -1 1 380.343 1.604 20 0 GDADMM CC(C)(C)OC(=O)N1CCO[C@H](C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])C1 ZINC000819933686 607157276 /nfs/dbraw/zinc/15/72/76/607157276.db2.gz ZZSIZSAHMCUQGW-ZDUSSCGKSA-N -1 1 390.400 1.147 20 0 GDADMM CCOC(=O)[C@]1(CCn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)CCCC1=O ZINC000821320110 607165847 /nfs/dbraw/zinc/16/58/47/607165847.db2.gz KMJUZXJNCZPIGR-FQEVSTJZSA-N -1 1 395.419 1.874 20 0 GDADMM Cc1nc(-c2ccc(CNC(=O)Cn3cnc(-c4nn[n-]n4)n3)cc2)cs1 ZINC000822419795 607205960 /nfs/dbraw/zinc/20/59/60/607205960.db2.gz WETUSUYUNFCANJ-UHFFFAOYSA-N -1 1 381.425 1.207 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc2nc(N3CCCC3)sc2c1 ZINC000823136007 607206491 /nfs/dbraw/zinc/20/64/91/607206491.db2.gz FMNZCPQOBQIHLX-UHFFFAOYSA-N -1 1 396.440 1.307 20 0 GDADMM Cc1ccc(Oc2ccccc2CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000822267012 607215437 /nfs/dbraw/zinc/21/54/37/607215437.db2.gz LXVUWJBRCVOYHN-UHFFFAOYSA-N -1 1 390.407 1.875 20 0 GDADMM CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821678237 607218111 /nfs/dbraw/zinc/21/81/11/607218111.db2.gz LNDXBMPTTNOQKP-NOZJJQNGSA-N -1 1 376.808 1.004 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccc(-c2noc(C3CC3)n2)c1 ZINC000823136219 607223460 /nfs/dbraw/zinc/22/34/60/607223460.db2.gz OXFQGDDANZTWRW-UHFFFAOYSA-N -1 1 378.356 1.024 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1c(-c2ccccc2)nc2ccccn21 ZINC000823132025 607236040 /nfs/dbraw/zinc/23/60/40/607236040.db2.gz VXYFBQPIOCVWAP-UHFFFAOYSA-N -1 1 386.379 1.412 20 0 GDADMM COc1cccc(F)c1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821873670 607240088 /nfs/dbraw/zinc/24/00/88/607240088.db2.gz WMGFQXWIOOQJJB-LLVKDONJSA-N -1 1 398.402 1.155 20 0 GDADMM COc1cccc(F)c1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821873670 607240089 /nfs/dbraw/zinc/24/00/89/607240089.db2.gz WMGFQXWIOOQJJB-LLVKDONJSA-N -1 1 398.402 1.155 20 0 GDADMM CN1C(=O)CCc2cc(C(=O)COC(=O)c3sccc3-c3nn[n-]n3)ccc21 ZINC000826011126 607803883 /nfs/dbraw/zinc/80/38/83/607803883.db2.gz YIFZTDUENRFGIQ-UHFFFAOYSA-N -1 1 397.416 1.877 20 0 GDADMM Cc1cnccc1CCNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000826319920 607856076 /nfs/dbraw/zinc/85/60/76/607856076.db2.gz YSWDGJHFKSJJDX-UHFFFAOYSA-N -1 1 381.440 1.579 20 0 GDADMM COc1ccc(CNC(=O)COc2cccc(F)c2-c2nnn[n-]2)cc1OC ZINC000826197165 607865359 /nfs/dbraw/zinc/86/53/59/607865359.db2.gz CGQZGHPOSKGBAV-UHFFFAOYSA-N -1 1 387.371 1.718 20 0 GDADMM COc1ccc(CNC(=O)COc2cccc(F)c2-c2nn[n-]n2)cc1OC ZINC000826197165 607865360 /nfs/dbraw/zinc/86/53/60/607865360.db2.gz CGQZGHPOSKGBAV-UHFFFAOYSA-N -1 1 387.371 1.718 20 0 GDADMM CN(C)C(=O)c1cccc(NC(=O)COc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000825848451 607865981 /nfs/dbraw/zinc/86/59/81/607865981.db2.gz CXOHRGQWEFCHGD-UHFFFAOYSA-N -1 1 384.371 1.725 20 0 GDADMM CN(C)C(=O)c1cccc(NC(=O)COc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000825848451 607865982 /nfs/dbraw/zinc/86/59/82/607865982.db2.gz CXOHRGQWEFCHGD-UHFFFAOYSA-N -1 1 384.371 1.725 20 0 GDADMM CC(=O)Nc1cc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)ccc1F ZINC000824000161 607866602 /nfs/dbraw/zinc/86/66/02/607866602.db2.gz XCPCJFUJFHMPIF-UHFFFAOYSA-N -1 1 395.347 1.871 20 0 GDADMM CC(=O)Nc1cc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)ccc1F ZINC000824000161 607866603 /nfs/dbraw/zinc/86/66/03/607866603.db2.gz XCPCJFUJFHMPIF-UHFFFAOYSA-N -1 1 395.347 1.871 20 0 GDADMM COc1cc(F)c(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)cc1OC ZINC000826180241 607867776 /nfs/dbraw/zinc/86/77/76/607867776.db2.gz ZAIRRHZYDISZNY-UHFFFAOYSA-N -1 1 398.347 1.930 20 0 GDADMM COc1cc(F)c(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)cc1OC ZINC000826180241 607867777 /nfs/dbraw/zinc/86/77/77/607867777.db2.gz ZAIRRHZYDISZNY-UHFFFAOYSA-N -1 1 398.347 1.930 20 0 GDADMM CC[C@H](C)[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC000825679864 607919994 /nfs/dbraw/zinc/91/99/94/607919994.db2.gz LDDNJDPXZDRPHA-ONGXEEELSA-N -1 1 378.437 1.478 20 0 GDADMM CC[C@H](C)[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC000825679864 607919995 /nfs/dbraw/zinc/91/99/95/607919995.db2.gz LDDNJDPXZDRPHA-ONGXEEELSA-N -1 1 378.437 1.478 20 0 GDADMM CC(C)(C)OC(=O)Nc1ccccc1CC(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000824114360 607928610 /nfs/dbraw/zinc/92/86/10/607928610.db2.gz PVCWGINPJDRMPX-UHFFFAOYSA-N -1 1 384.400 1.875 20 0 GDADMM COc1cc([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)nc2)ccc1OCCO ZINC000826177769 607994241 /nfs/dbraw/zinc/99/42/41/607994241.db2.gz URPOSKCQVJNWED-NSHDSACASA-N -1 1 384.396 1.132 20 0 GDADMM COc1cc([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)nc2)ccc1OCCO ZINC000826177769 607994242 /nfs/dbraw/zinc/99/42/42/607994242.db2.gz URPOSKCQVJNWED-NSHDSACASA-N -1 1 384.396 1.132 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1CSCN1C(=O)c1ccccc1 ZINC000826450804 607999496 /nfs/dbraw/zinc/99/94/96/607999496.db2.gz DWMFREJEURLNDB-AWEZNQCLSA-N -1 1 396.432 1.726 20 0 GDADMM CN(Cc1ccccc1Br)C(=O)Cn1ccnc1-c1nnn[n-]1 ZINC000825980684 608013527 /nfs/dbraw/zinc/01/35/27/608013527.db2.gz GNDGHVOJQBBQFO-UHFFFAOYSA-N -1 1 376.218 1.484 20 0 GDADMM CN(Cc1ccccc1Br)C(=O)Cn1ccnc1-c1nn[n-]n1 ZINC000825980684 608013528 /nfs/dbraw/zinc/01/35/28/608013528.db2.gz GNDGHVOJQBBQFO-UHFFFAOYSA-N -1 1 376.218 1.484 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(-n3ccnn3)cc2)n1 ZINC000824148551 608028532 /nfs/dbraw/zinc/02/85/32/608028532.db2.gz ZODBDQHAYNACLX-UHFFFAOYSA-N -1 1 378.400 1.651 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(-n3ccnn3)cc2)n1 ZINC000824148551 608028533 /nfs/dbraw/zinc/02/85/33/608028533.db2.gz ZODBDQHAYNACLX-UHFFFAOYSA-N -1 1 378.400 1.651 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@@H](c2cccnc2)C2CC2)cc1-c1nn[n-]n1 ZINC000826229844 608033063 /nfs/dbraw/zinc/03/30/63/608033063.db2.gz UAEYMYUVAOSPEH-CYBMUJFWSA-N -1 1 383.437 1.965 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2coc(-c3cccc(Cl)c3)n2)c1=O ZINC000826357081 608096438 /nfs/dbraw/zinc/09/64/38/608096438.db2.gz QJSUHJRSLACTKN-UHFFFAOYSA-N -1 1 385.771 1.084 20 0 GDADMM Cc1ccncc1[C@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826315759 608157725 /nfs/dbraw/zinc/15/77/25/608157725.db2.gz SJALQVSFLAHDEK-VIFPVBQESA-N -1 1 380.380 1.888 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@H](CCO)C2CCCCC2)cc1-c1nn[n-]n1 ZINC000826229658 608204724 /nfs/dbraw/zinc/20/47/24/608204724.db2.gz MKLLFVVHSRAHRM-CYBMUJFWSA-N -1 1 392.485 1.750 20 0 GDADMM C[C@@H](Cc1ccccc1F)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824456926 608210982 /nfs/dbraw/zinc/21/09/82/608210982.db2.gz ASSABBVNVUDMTB-NSHDSACASA-N -1 1 386.435 1.581 20 0 GDADMM C[C@@H](Cc1ccccc1F)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824456926 608210983 /nfs/dbraw/zinc/21/09/83/608210983.db2.gz ASSABBVNVUDMTB-NSHDSACASA-N -1 1 386.435 1.581 20 0 GDADMM Cc1ccc(OCCC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1C ZINC000826292312 608211863 /nfs/dbraw/zinc/21/18/63/608211863.db2.gz PXGBRBFUQPAFAR-UHFFFAOYSA-N -1 1 398.471 1.649 20 0 GDADMM Cc1ccc(OCCC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1C ZINC000826292312 608211864 /nfs/dbraw/zinc/21/18/64/608211864.db2.gz PXGBRBFUQPAFAR-UHFFFAOYSA-N -1 1 398.471 1.649 20 0 GDADMM COc1cccc([C@@H]2C[C@@H]2C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000826215723 608211947 /nfs/dbraw/zinc/21/19/47/608211947.db2.gz XGRZTIUXJNUGQK-KBPBESRZSA-N -1 1 396.455 1.375 20 0 GDADMM COc1cccc([C@@H]2C[C@@H]2C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000826215723 608211948 /nfs/dbraw/zinc/21/19/48/608211948.db2.gz XGRZTIUXJNUGQK-KBPBESRZSA-N -1 1 396.455 1.375 20 0 GDADMM COc1cccc(C(C)=CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000826214699 608213123 /nfs/dbraw/zinc/21/31/23/608213123.db2.gz UJEOKBSSTYXVFG-ZRDIBKRKSA-N -1 1 396.455 1.675 20 0 GDADMM COc1cccc(C(C)=CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000826214699 608213124 /nfs/dbraw/zinc/21/31/24/608213124.db2.gz UJEOKBSSTYXVFG-ZRDIBKRKSA-N -1 1 396.455 1.675 20 0 GDADMM COc1ccc2c(c1)CCCCN2S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826213037 608240872 /nfs/dbraw/zinc/24/08/72/608240872.db2.gz JIWSTLYAYBHXBY-UHFFFAOYSA-N -1 1 386.437 1.802 20 0 GDADMM COc1ccc2c(c1)CCCCN2S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826213037 608240874 /nfs/dbraw/zinc/24/08/74/608240874.db2.gz JIWSTLYAYBHXBY-UHFFFAOYSA-N -1 1 386.437 1.802 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000824974741 608245554 /nfs/dbraw/zinc/24/55/54/608245554.db2.gz FBOKJZQYLJKMSP-RYUDHWBXSA-N -1 1 387.444 1.732 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000824974741 608245555 /nfs/dbraw/zinc/24/55/55/608245555.db2.gz FBOKJZQYLJKMSP-RYUDHWBXSA-N -1 1 387.444 1.732 20 0 GDADMM C[C@@H](CCO)N(Cc1ccccc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824407539 608249069 /nfs/dbraw/zinc/24/90/69/608249069.db2.gz XQBHAUZQBVLUEQ-ZDUSSCGKSA-N -1 1 388.453 1.224 20 0 GDADMM C[C@@H](CCO)N(Cc1ccccc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824407539 608249070 /nfs/dbraw/zinc/24/90/70/608249070.db2.gz XQBHAUZQBVLUEQ-ZDUSSCGKSA-N -1 1 388.453 1.224 20 0 GDADMM CSc1cc(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)ccn1 ZINC000826230157 608249950 /nfs/dbraw/zinc/24/99/50/608249950.db2.gz HIJZQWKIBFXGBW-UHFFFAOYSA-N -1 1 380.430 1.601 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCC[C@H]2COCC[C@@H]21 ZINC000826494429 608303033 /nfs/dbraw/zinc/30/30/33/608303033.db2.gz BNDVBZMLZRAYOI-GWCFXTLKSA-N -1 1 383.861 1.710 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCC[C@H]2COCC[C@H]21 ZINC000826494430 608303053 /nfs/dbraw/zinc/30/30/53/608303053.db2.gz BNDVBZMLZRAYOI-GXFFZTMASA-N -1 1 383.861 1.710 20 0 GDADMM Cc1oc(NC(=O)CN2CCNC(=O)c3ccccc32)c(-c2nn[n-]n2)c1C ZINC000826341666 608324448 /nfs/dbraw/zinc/32/44/48/608324448.db2.gz NCKTVRDEBOWBMV-UHFFFAOYSA-N -1 1 381.396 1.265 20 0 GDADMM CCOC(=O)C[C@H](O)Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21 ZINC000825506455 608329865 /nfs/dbraw/zinc/32/98/65/608329865.db2.gz KISWFNXWEPDXLP-JTQLQIEISA-N -1 1 377.788 1.149 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N2CCC[C@H]2C2CCC2)n1 ZINC000824141077 608351013 /nfs/dbraw/zinc/35/10/13/608351013.db2.gz CITYVLFDXDYNOJ-ZDUSSCGKSA-N -1 1 386.460 1.548 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N2CCC[C@H]2C2CCC2)n1 ZINC000824141077 608351016 /nfs/dbraw/zinc/35/10/16/608351016.db2.gz CITYVLFDXDYNOJ-ZDUSSCGKSA-N -1 1 386.460 1.548 20 0 GDADMM CCC1(C)CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CC1 ZINC000825165181 608351760 /nfs/dbraw/zinc/35/17/60/608351760.db2.gz VGILYHIRCRGARX-UHFFFAOYSA-N -1 1 388.476 1.795 20 0 GDADMM CCC1(C)CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CC1 ZINC000825165181 608351761 /nfs/dbraw/zinc/35/17/61/608351761.db2.gz VGILYHIRCRGARX-UHFFFAOYSA-N -1 1 388.476 1.795 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCC2(C)CCCCC2)n1 ZINC000824822281 608356068 /nfs/dbraw/zinc/35/60/68/608356068.db2.gz BTGUSYKJNCGDPR-UHFFFAOYSA-N -1 1 388.476 1.843 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCC2(C)CCCCC2)n1 ZINC000824822281 608356070 /nfs/dbraw/zinc/35/60/70/608356070.db2.gz BTGUSYKJNCGDPR-UHFFFAOYSA-N -1 1 388.476 1.843 20 0 GDADMM O[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)COc1cccc(C(F)(F)F)c1 ZINC000826502924 608406192 /nfs/dbraw/zinc/40/61/92/608406192.db2.gz MPRZGUYFLRIYEA-JTQLQIEISA-N -1 1 381.318 1.527 20 0 GDADMM O[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)COc1cccc(C(F)(F)F)c1 ZINC000826502924 608406194 /nfs/dbraw/zinc/40/61/94/608406194.db2.gz MPRZGUYFLRIYEA-JTQLQIEISA-N -1 1 381.318 1.527 20 0 GDADMM c1oc(CN2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)nc1-c1ccccc1 ZINC000826519461 608415889 /nfs/dbraw/zinc/41/58/89/608415889.db2.gz ZKKSLSOGNJBJKB-UHFFFAOYSA-N -1 1 389.423 1.634 20 0 GDADMM c1oc(CN2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)nc1-c1ccccc1 ZINC000826519461 608415891 /nfs/dbraw/zinc/41/58/91/608415891.db2.gz ZKKSLSOGNJBJKB-UHFFFAOYSA-N -1 1 389.423 1.634 20 0 GDADMM C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(Cc3ccc(-c4nnn[n-]4)o3)CC2)C1 ZINC000824877546 608506537 /nfs/dbraw/zinc/50/65/37/608506537.db2.gz YHZAJYUDDAUNPP-GJZGRUSLSA-N -1 1 387.488 1.082 20 0 GDADMM C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(Cc3ccc(-c4nn[n-]n4)o3)CC2)C1 ZINC000824877546 608506538 /nfs/dbraw/zinc/50/65/38/608506538.db2.gz YHZAJYUDDAUNPP-GJZGRUSLSA-N -1 1 387.488 1.082 20 0 GDADMM COc1ccc(C(=O)N2CCN(c3nc(-c4nnn[n-]4)ccc3C)CC2)cc1 ZINC000826187281 608542394 /nfs/dbraw/zinc/54/23/94/608542394.db2.gz JCQJIWUGXBWJMC-UHFFFAOYSA-N -1 1 379.424 1.541 20 0 GDADMM COc1ccc(C(=O)N2CCN(c3nc(-c4nn[n-]n4)ccc3C)CC2)cc1 ZINC000826187281 608542395 /nfs/dbraw/zinc/54/23/95/608542395.db2.gz JCQJIWUGXBWJMC-UHFFFAOYSA-N -1 1 379.424 1.541 20 0 GDADMM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826316776 608555493 /nfs/dbraw/zinc/55/54/93/608555493.db2.gz YLFLEOTYCOABGF-GHMZBOCLSA-N -1 1 386.485 1.737 20 0 GDADMM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826316776 608555496 /nfs/dbraw/zinc/55/54/96/608555496.db2.gz YLFLEOTYCOABGF-GHMZBOCLSA-N -1 1 386.485 1.737 20 0 GDADMM CCCn1ncc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1C1CC1 ZINC000825362535 608557800 /nfs/dbraw/zinc/55/78/00/608557800.db2.gz NYGNHJSPWYXNIK-UHFFFAOYSA-N -1 1 398.475 1.361 20 0 GDADMM CCCn1ncc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1C1CC1 ZINC000825362535 608557801 /nfs/dbraw/zinc/55/78/01/608557801.db2.gz NYGNHJSPWYXNIK-UHFFFAOYSA-N -1 1 398.475 1.361 20 0 GDADMM CC(C)c1ncc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)s1 ZINC000824364399 608558758 /nfs/dbraw/zinc/55/87/58/608558758.db2.gz DXSCWNCAIKHPHL-UHFFFAOYSA-N -1 1 375.462 1.457 20 0 GDADMM CC(C)c1ncc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)s1 ZINC000824364399 608558760 /nfs/dbraw/zinc/55/87/60/608558760.db2.gz DXSCWNCAIKHPHL-UHFFFAOYSA-N -1 1 375.462 1.457 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Cc1cccc(F)c1F ZINC000825929119 608560261 /nfs/dbraw/zinc/56/02/61/608560261.db2.gz ASYYKPRUQXRHAY-UHFFFAOYSA-N -1 1 376.371 1.084 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Cc1cccc(F)c1F ZINC000825929119 608560263 /nfs/dbraw/zinc/56/02/63/608560263.db2.gz ASYYKPRUQXRHAY-UHFFFAOYSA-N -1 1 376.371 1.084 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCC(c2cccnc2)CC1 ZINC000826495507 608563363 /nfs/dbraw/zinc/56/33/63/608563363.db2.gz RRHHRCYVXPXONU-UHFFFAOYSA-N -1 1 388.428 1.969 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCC(c2cn[nH]c2)CC1 ZINC000826495467 608567583 /nfs/dbraw/zinc/56/75/83/608567583.db2.gz QAKSXZZHJRSRLB-UHFFFAOYSA-N -1 1 377.405 1.297 20 0 GDADMM CN(CCCOc1cccc(S(C)(=O)=O)c1)Cc1ccc(-c2nnn[n-]2)o1 ZINC000825923606 608636156 /nfs/dbraw/zinc/63/61/56/608636156.db2.gz OIHOOISBPVYOHG-UHFFFAOYSA-N -1 1 391.453 1.764 20 0 GDADMM CN(CCCOc1cccc(S(C)(=O)=O)c1)Cc1ccc(-c2nn[n-]n2)o1 ZINC000825923606 608636158 /nfs/dbraw/zinc/63/61/58/608636158.db2.gz OIHOOISBPVYOHG-UHFFFAOYSA-N -1 1 391.453 1.764 20 0 GDADMM CC1CCN(Cc2csc(NC(=O)Cn3ccnc3-c3nn[n-]n3)n2)CC1 ZINC000824962290 608891430 /nfs/dbraw/zinc/89/14/30/608891430.db2.gz RXTKSQZJVPNXAY-UHFFFAOYSA-N -1 1 387.473 1.390 20 0 GDADMM CC(C)n1cc2c(n1)[C@@H](NS(=O)(=O)c1ccc(-c3nnn[n-]3)nc1)CCC2 ZINC000824371666 609157917 /nfs/dbraw/zinc/15/79/17/609157917.db2.gz NQTJVYOHVQZJDJ-ZDUSSCGKSA-N -1 1 388.457 1.395 20 0 GDADMM CC(C)n1cc2c(n1)[C@@H](NS(=O)(=O)c1ccc(-c3nn[n-]n3)nc1)CCC2 ZINC000824371666 609157919 /nfs/dbraw/zinc/15/79/19/609157919.db2.gz NQTJVYOHVQZJDJ-ZDUSSCGKSA-N -1 1 388.457 1.395 20 0 GDADMM Cc1nc(S[C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)[n-]c(=O)c1C ZINC000826327663 609180509 /nfs/dbraw/zinc/18/05/09/609180509.db2.gz PNTOWNHJIYVRNO-ZDUSSCGKSA-N -1 1 383.437 1.877 20 0 GDADMM Cc1nc(S[C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)[n-]c(=O)c1C ZINC000826327536 609180730 /nfs/dbraw/zinc/18/07/30/609180730.db2.gz LCMHBDYGYXOBCH-SNVBAGLBSA-N -1 1 389.466 1.938 20 0 GDADMM CC(C)C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCO1 ZINC000824242692 609181528 /nfs/dbraw/zinc/18/15/28/609181528.db2.gz AJFMVXJIAHBWRH-CHWSQXEVSA-N -1 1 383.449 1.878 20 0 GDADMM Cc1ncc(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)c(C)n1 ZINC000826329421 609255140 /nfs/dbraw/zinc/25/51/40/609255140.db2.gz CJKYYEWUIHLOSU-UHFFFAOYSA-N -1 1 395.427 1.101 20 0 GDADMM O=C(CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)NCc1cccs1 ZINC000826414377 609281423 /nfs/dbraw/zinc/28/14/23/609281423.db2.gz SWGKHSRWXQOZKD-UHFFFAOYSA-N -1 1 398.427 1.981 20 0 GDADMM COc1ncccc1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826222302 609287682 /nfs/dbraw/zinc/28/76/82/609287682.db2.gz RDSIJYCZIBAGHW-UHFFFAOYSA-N -1 1 380.343 1.847 20 0 GDADMM CN(C)c1ccc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cn1 ZINC000825875698 609288859 /nfs/dbraw/zinc/28/88/59/609288859.db2.gz VQOCIGWLBRCSIB-UHFFFAOYSA-N -1 1 393.386 1.905 20 0 GDADMM O=C([C@H]1CCC=CO1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000826399369 609297292 /nfs/dbraw/zinc/29/72/92/609297292.db2.gz UGJUXFOKOJZRRQ-CYBMUJFWSA-N -1 1 397.395 1.456 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000825930665 609299275 /nfs/dbraw/zinc/29/92/75/609299275.db2.gz WAUDAHXZAFWOHW-INIZCTEOSA-N -1 1 395.471 1.897 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000825930665 609299276 /nfs/dbraw/zinc/29/92/76/609299276.db2.gz WAUDAHXZAFWOHW-INIZCTEOSA-N -1 1 395.471 1.897 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@H](C)CC(=O)c2ccco2)cc1-c1nn[n-]n1 ZINC000826229979 609301537 /nfs/dbraw/zinc/30/15/37/609301537.db2.gz YZVGSOXMPJABMH-MRVPVSSYSA-N -1 1 388.409 1.674 20 0 GDADMM C[C@@H]1CCCC[C@H]1CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824936757 609302407 /nfs/dbraw/zinc/30/24/07/609302407.db2.gz LTXAVOQTBRQLOL-OLZOCXBDSA-N -1 1 389.508 1.962 20 0 GDADMM C[C@@H]1CCCC[C@H]1CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824936757 609302409 /nfs/dbraw/zinc/30/24/09/609302409.db2.gz LTXAVOQTBRQLOL-OLZOCXBDSA-N -1 1 389.508 1.962 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@@H]1CC(C)(C)OC1(C)C ZINC000825930281 609309789 /nfs/dbraw/zinc/30/97/89/609309789.db2.gz ROQQZSQKQGFKJY-LLVKDONJSA-N -1 1 391.480 1.092 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@@H]1CC(C)(C)OC1(C)C ZINC000825930281 609309790 /nfs/dbraw/zinc/30/97/90/609309790.db2.gz ROQQZSQKQGFKJY-LLVKDONJSA-N -1 1 391.480 1.092 20 0 GDADMM C[C@@H](NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C1CC1 ZINC000824471479 609352304 /nfs/dbraw/zinc/35/23/04/609352304.db2.gz QWMKSPZNWVERDZ-SECBINFHSA-N -1 1 384.375 1.045 20 0 GDADMM CC(C)(C)[C@@H](O)CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824071203 609357066 /nfs/dbraw/zinc/35/70/66/609357066.db2.gz GTODKFIQVQLTPH-LBPRGKRZSA-N -1 1 388.407 1.720 20 0 GDADMM C[C@]1(CNC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CCOC1 ZINC000824822995 609362841 /nfs/dbraw/zinc/36/28/41/609362841.db2.gz IHDYQEPULVCSRW-QGZVFWFLSA-N -1 1 386.391 1.740 20 0 GDADMM CN(C[C@@H](O)C1CC1)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825902633 609363667 /nfs/dbraw/zinc/36/36/67/609363667.db2.gz XVVQFBJEOQAODJ-CYBMUJFWSA-N -1 1 386.391 1.426 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N1CCC[C@@H](CO)C1 ZINC000826458432 609365375 /nfs/dbraw/zinc/36/53/75/609365375.db2.gz PLWAEZPJFAKWNT-LLVKDONJSA-N -1 1 386.391 1.428 20 0 GDADMM C[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824926011 609365745 /nfs/dbraw/zinc/36/57/45/609365745.db2.gz IIWCRQWEPKJKFQ-CMPLNLGQSA-N -1 1 398.402 1.435 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N(C)C[C@H]2CCCC[C@@H]2O)cc1-c1nn[n-]n1 ZINC000826229773 609404745 /nfs/dbraw/zinc/40/47/45/609404745.db2.gz QUFJYQRQSBRIHM-SKDRFNHKSA-N -1 1 378.458 1.312 20 0 GDADMM CC(C)[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(Cl)cc1F ZINC000824193050 609428096 /nfs/dbraw/zinc/42/80/96/609428096.db2.gz QYUPVWNSWDURRR-ZDUSSCGKSA-N -1 1 378.799 1.764 20 0 GDADMM Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)ccc1OCCO ZINC000826271276 609457667 /nfs/dbraw/zinc/45/76/67/609457667.db2.gz KXQNZSOKHKFERL-UHFFFAOYSA-N -1 1 389.437 1.655 20 0 GDADMM COc1ccccc1OC[C@H](C)CNC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000826220503 609468318 /nfs/dbraw/zinc/46/83/18/609468318.db2.gz PUZZLNMCMXGUQJ-LLVKDONJSA-N -1 1 386.412 1.546 20 0 GDADMM COc1ccccc1OC[C@H](C)CNC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000826220503 609468321 /nfs/dbraw/zinc/46/83/21/609468321.db2.gz PUZZLNMCMXGUQJ-LLVKDONJSA-N -1 1 386.412 1.546 20 0 GDADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCOc3ccncc32)c(F)c1 ZINC000531171434 649988333 /nfs/dbraw/zinc/98/83/33/649988333.db2.gz WAGGRXIEGJXKLO-UHFFFAOYSA-N -1 1 387.414 1.180 20 0 GDADMM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H](CO)CC(F)(F)F)s1 ZINC000533804406 650214052 /nfs/dbraw/zinc/21/40/52/650214052.db2.gz XZNCVCDGIUOTFF-LURJTMIESA-N -1 1 377.362 1.135 20 0 GDADMM COC(=O)[C@H](C[N-]S(=O)(=O)c1nc(C)c(C)s1)Oc1ccc(F)cc1 ZINC000536154128 650265605 /nfs/dbraw/zinc/26/56/05/650265605.db2.gz DQUPSMKVTFNRAJ-ZDUSSCGKSA-N -1 1 388.442 1.798 20 0 GDADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(S(C)(=O)=O)c2)cc1 ZINC000536199808 650267203 /nfs/dbraw/zinc/26/72/03/650267203.db2.gz SPPGNAWPPFDYPH-UHFFFAOYSA-N -1 1 382.463 1.559 20 0 GDADMM O=C(COc1ccc(F)cc1Br)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000539326172 650332781 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386.366 1.191 20 0 GDADMM O=C(NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccc(F)cc1F ZINC001571267295 945567399 /nfs/dbraw/zinc/56/73/99/945567399.db2.gz PPPSBTZHTCRMTB-SNVBAGLBSA-N -1 1 386.366 1.191 20 0 GDADMM O=C(N1CC[C@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1)C1(F)CCCC1 ZINC001571268531 945598365 /nfs/dbraw/zinc/59/83/65/945598365.db2.gz GOERPSKRZUKBOS-KRWDZBQOSA-N -1 1 386.435 1.368 20 0 GDADMM O=C(N1CC[C@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1)C1(F)CCCC1 ZINC001571268531 945598373 /nfs/dbraw/zinc/59/83/73/945598373.db2.gz GOERPSKRZUKBOS-KRWDZBQOSA-N -1 1 386.435 1.368 20 0 GDADMM COc1ccsc1C(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571269937 945627941 /nfs/dbraw/zinc/62/79/41/945627941.db2.gz IKUYKZQSWNZFTG-JTQLQIEISA-N -1 1 386.441 1.444 20 0 GDADMM COc1ccsc1C(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571269937 945627945 /nfs/dbraw/zinc/62/79/45/945627945.db2.gz IKUYKZQSWNZFTG-JTQLQIEISA-N -1 1 386.441 1.444 20 0 GDADMM COc1csc(C(=O)NC2CCN(c3nccnc3-c3nnn[n-]3)CC2)c1 ZINC001571270059 945631280 /nfs/dbraw/zinc/63/12/80/945631280.db2.gz LSWRLWQPFSZTNB-UHFFFAOYSA-N -1 1 386.441 1.126 20 0 GDADMM COc1csc(C(=O)NC2CCN(c3nccnc3-c3nn[n-]n3)CC2)c1 ZINC001571270059 945631288 /nfs/dbraw/zinc/63/12/88/945631288.db2.gz LSWRLWQPFSZTNB-UHFFFAOYSA-N -1 1 386.441 1.126 20 0 GDADMM CCc1nc(NC2CC(N(C)C(=O)C[C@H]3CCOC3)C2)cc(-c2nnn[n-]2)n1 ZINC001571272716 945670193 /nfs/dbraw/zinc/67/01/93/945670193.db2.gz IEEBCZQARAMKED-PNESKVBLSA-N -1 1 386.460 1.047 20 0 GDADMM CCc1nc(NC2CC(N(C)C(=O)C[C@H]3CCOC3)C2)cc(-c2nn[n-]n2)n1 ZINC001571272716 945670199 /nfs/dbraw/zinc/67/01/99/945670199.db2.gz IEEBCZQARAMKED-PNESKVBLSA-N -1 1 386.460 1.047 20 0 GDADMM CCc1nc(N[C@H]2C[C@H](NC(=O)[C@H]3CCO[C@@H](C)C3)C2)cc(-c2nnn[n-]2)n1 ZINC001571272903 945673273 /nfs/dbraw/zinc/67/32/73/945673273.db2.gz KPWZLAUHSHCGIO-CYDGBPFRSA-N -1 1 386.460 1.093 20 0 GDADMM CCc1nc(N[C@H]2C[C@H](NC(=O)[C@H]3CCO[C@@H](C)C3)C2)cc(-c2nn[n-]n2)n1 ZINC001571272903 945673280 /nfs/dbraw/zinc/67/32/80/945673280.db2.gz KPWZLAUHSHCGIO-CYDGBPFRSA-N -1 1 386.460 1.093 20 0 GDADMM CCC1(C(=O)N2CCC(Nc3cncc(-c4nnn[n-]4)n3)CC2)CCOCC1 ZINC001571275719 945713306 /nfs/dbraw/zinc/71/33/06/945713306.db2.gz BHLLYTPYFXNTPS-UHFFFAOYSA-N -1 1 386.460 1.266 20 0 GDADMM CCC1(C(=O)N2CCC(Nc3cncc(-c4nn[n-]n4)n3)CC2)CCOCC1 ZINC001571275719 945713312 /nfs/dbraw/zinc/71/33/12/945713312.db2.gz BHLLYTPYFXNTPS-UHFFFAOYSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CCN(C(=O)[C@H]2CCCOC2)CC1 ZINC001571278676 945758903 /nfs/dbraw/zinc/75/89/03/945758903.db2.gz QNLGMWJIOCRDIC-OCCSQVGLSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CCN(C(=O)[C@H]2CCCOC2)CC1 ZINC001571278676 945758912 /nfs/dbraw/zinc/75/89/12/945758912.db2.gz QNLGMWJIOCRDIC-OCCSQVGLSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H]1COCC[C@@H]1C(=O)N1CCC(C)(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571279991 945792506 /nfs/dbraw/zinc/79/25/06/945792506.db2.gz YRUUDWXIGBOTMP-OLZOCXBDSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H]1COCC[C@@H]1C(=O)N1CCC(C)(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571279991 945792510 /nfs/dbraw/zinc/79/25/10/945792510.db2.gz YRUUDWXIGBOTMP-OLZOCXBDSA-N -1 1 386.460 1.122 20 0 GDADMM CC(=O)N1CCOC2(CCC(Nc3snc(C)c3-c3nn[n-]n3)CC2)C1 ZINC001573450562 945825049 /nfs/dbraw/zinc/82/50/49/945825049.db2.gz KNFUHBOEAXLUTF-UHFFFAOYSA-N -1 1 377.474 1.604 20 0 GDADMM Cc1nc(-c2nn[n-]n2)c(N2CCC(C(=O)N[C@@H]3CCO[C@H]3C3CC3)CC2)o1 ZINC001571282117 945826300 /nfs/dbraw/zinc/82/63/00/945826300.db2.gz DBHNJUMIRXYHBM-HIFRSBDPSA-N -1 1 387.444 1.063 20 0 GDADMM O=C(N[C@@H]1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1sccc1F ZINC001571288968 945996352 /nfs/dbraw/zinc/99/63/52/945996352.db2.gz VOCLTNHVPRVCCA-VHSXEESVSA-N -1 1 388.432 1.432 20 0 GDADMM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccc2c(c1)CCC=C2 ZINC001571289181 945999116 /nfs/dbraw/zinc/99/91/16/945999116.db2.gz WOAVNQSNPAAZLD-INIZCTEOSA-N -1 1 388.435 1.625 20 0 GDADMM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccc2c(c1)CCC=C2 ZINC001571289181 945999119 /nfs/dbraw/zinc/99/91/19/945999119.db2.gz WOAVNQSNPAAZLD-INIZCTEOSA-N -1 1 388.435 1.625 20 0 GDADMM CC[C@@H](OC)C(=O)N1C[C@@H](C)[C@H](CCNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571289461 946007202 /nfs/dbraw/zinc/00/72/02/946007202.db2.gz FCSAJCSAXSMECT-UXIGCNINSA-N -1 1 388.476 1.287 20 0 GDADMM CC[C@@H](OC)C(=O)N1C[C@@H](C)[C@H](CCNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571289461 946007212 /nfs/dbraw/zinc/00/72/12/946007212.db2.gz FCSAJCSAXSMECT-UXIGCNINSA-N -1 1 388.476 1.287 20 0 GDADMM Cc1conc1C(=O)N[C@H]1CC[C@H](C)N(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571289486 946007554 /nfs/dbraw/zinc/00/75/54/946007554.db2.gz FRBDDZFELXEBIR-ONGXEEELSA-N -1 1 388.457 1.715 20 0 GDADMM CCc1ncoc1C(=O)N1CCC[C@@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001571289846 946019587 /nfs/dbraw/zinc/01/95/87/946019587.db2.gz NVPNTOOBRVBYLB-SNVBAGLBSA-N -1 1 388.457 1.899 20 0 GDADMM CC(C)C(C)(C)C(=O)N1CCCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571289946 946023242 /nfs/dbraw/zinc/02/32/42/946023242.db2.gz QJQHGJPTFYIOCV-ZDUSSCGKSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)C(C)(C)C(=O)N1CCCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571289946 946023255 /nfs/dbraw/zinc/02/32/55/946023255.db2.gz QJQHGJPTFYIOCV-ZDUSSCGKSA-N -1 1 388.476 1.368 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)[C@H]2CCCN(C(=O)CC(C)(C)O)C2)n1 ZINC001571289915 946023999 /nfs/dbraw/zinc/02/39/99/946023999.db2.gz PPIKDNHQSZPZGC-STQMWFEESA-N -1 1 388.476 1.165 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)[C@H]2CCCN(C(=O)CC(C)(C)O)C2)n1 ZINC001571289915 946024014 /nfs/dbraw/zinc/02/40/14/946024014.db2.gz PPIKDNHQSZPZGC-STQMWFEESA-N -1 1 388.476 1.165 20 0 GDADMM CCc1nc(NC[C@H]2CCCCN2C(=O)[C@H](O)C(C)C)cc(-c2nnn[n-]2)n1 ZINC001571290038 946026774 /nfs/dbraw/zinc/02/67/74/946026774.db2.gz TVCAQPIKWDMNBZ-MLGOLLRUSA-N -1 1 388.476 1.029 20 0 GDADMM CCc1nc(NC[C@H]2CCCCN2C(=O)[C@H](O)C(C)C)cc(-c2nn[n-]n2)n1 ZINC001571290038 946026784 /nfs/dbraw/zinc/02/67/84/946026784.db2.gz TVCAQPIKWDMNBZ-MLGOLLRUSA-N -1 1 388.476 1.029 20 0 GDADMM Cc1ccc(NC(=O)CSCC(=O)Nc2ncc(-c3nnn[n-]3)s2)cc1 ZINC000822248649 946032712 /nfs/dbraw/zinc/03/27/12/946032712.db2.gz HOGZOEJSRWCELL-UHFFFAOYSA-N -1 1 389.466 1.942 20 0 GDADMM Cc1ccc(NC(=O)CSCC(=O)Nc2ncc(-c3nn[n-]n3)s2)cc1 ZINC000822248649 946032724 /nfs/dbraw/zinc/03/27/24/946032724.db2.gz HOGZOEJSRWCELL-UHFFFAOYSA-N -1 1 389.466 1.942 20 0 GDADMM O=S(=O)(Cc1cc(Cl)ccc1F)NCc1nc(-c2nnn[n-]2)cs1 ZINC001571290506 946044666 /nfs/dbraw/zinc/04/46/66/946044666.db2.gz HMLUKCGFMPYBLT-UHFFFAOYSA-N -1 1 388.837 1.735 20 0 GDADMM O=S(=O)(Cc1cc(Cl)ccc1F)NCc1nc(-c2nn[n-]n2)cs1 ZINC001571290506 946044681 /nfs/dbraw/zinc/04/46/81/946044681.db2.gz HMLUKCGFMPYBLT-UHFFFAOYSA-N -1 1 388.837 1.735 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OC[C@H]1CCCS1 ZINC000822458627 946094846 /nfs/dbraw/zinc/09/48/46/946094846.db2.gz GHFOXAXWDMGEEJ-GFCCVEGCSA-N -1 1 387.469 1.898 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OC[C@H]1CCCS1 ZINC000822458627 946094858 /nfs/dbraw/zinc/09/48/58/946094858.db2.gz GHFOXAXWDMGEEJ-GFCCVEGCSA-N -1 1 387.469 1.898 20 0 GDADMM Cc1nc2ccccc2c(=O)n1CC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822462063 946098587 /nfs/dbraw/zinc/09/85/87/946098587.db2.gz CVBKMYZGISHADQ-UHFFFAOYSA-N -1 1 377.364 1.023 20 0 GDADMM Cc1nc2ccccc2c(=O)n1CC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822462063 946098600 /nfs/dbraw/zinc/09/86/00/946098600.db2.gz CVBKMYZGISHADQ-UHFFFAOYSA-N -1 1 377.364 1.023 20 0 GDADMM Cc1nsc(N[C@@H](C)[C@H]2CCCCN2C(=O)c2cnon2)c1-c1nn[n-]n1 ZINC001571293376 946102881 /nfs/dbraw/zinc/10/28/81/946102881.db2.gz GRBWMZPKUKAWJF-GZMMTYOYSA-N -1 1 389.445 1.510 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)O[C@@H]1CCN(C(C)C)C1=O ZINC000822542293 946120581 /nfs/dbraw/zinc/12/05/81/946120581.db2.gz XGMQZTCVDXIECK-GFCCVEGCSA-N -1 1 384.396 1.725 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)O[C@@H]1CCN(C(C)C)C1=O ZINC000822542293 946120591 /nfs/dbraw/zinc/12/05/91/946120591.db2.gz XGMQZTCVDXIECK-GFCCVEGCSA-N -1 1 384.396 1.725 20 0 GDADMM O=C(N[C@@]12CCC[C@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2)C1CC(F)(F)C1 ZINC001571294469 946136821 /nfs/dbraw/zinc/13/68/21/946136821.db2.gz IBZYJVZNFXQEAD-BDJLRTHQSA-N -1 1 390.398 1.320 20 0 GDADMM CC[C@H](F)C(=O)N1CCO[C@@H](CNc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571294910 946147797 /nfs/dbraw/zinc/14/77/97/946147797.db2.gz PSVARUWQVXWHHH-YUMQZZPRSA-N -1 1 389.844 1.364 20 0 GDADMM O=C(c1coc(C(F)F)c1)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571295317 946159618 /nfs/dbraw/zinc/15/96/18/946159618.db2.gz XTBJSIJUFVRIJR-JTQLQIEISA-N -1 1 390.354 1.904 20 0 GDADMM O=C(c1coc(C(F)F)c1)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571295317 946159623 /nfs/dbraw/zinc/15/96/23/946159623.db2.gz XTBJSIJUFVRIJR-JTQLQIEISA-N -1 1 390.354 1.904 20 0 GDADMM O=C(c1cc(Cl)no1)N1CCCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571295290 946159974 /nfs/dbraw/zinc/15/99/74/946159974.db2.gz WNLIBGKYFIAIDE-SECBINFHSA-N -1 1 389.807 1.405 20 0 GDADMM O=C(c1cc(Cl)no1)N1CCCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571295290 946159982 /nfs/dbraw/zinc/15/99/82/946159982.db2.gz WNLIBGKYFIAIDE-SECBINFHSA-N -1 1 389.807 1.405 20 0 GDADMM O=C(N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1)C1(C(F)F)CCC1 ZINC001571295364 946161664 /nfs/dbraw/zinc/16/16/64/946161664.db2.gz YWDFEIVHXLHBMD-PHIMTYICSA-N -1 1 390.398 1.272 20 0 GDADMM O=C(N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1)C1(C(F)F)CCC1 ZINC001571295364 946161666 /nfs/dbraw/zinc/16/16/66/946161666.db2.gz YWDFEIVHXLHBMD-PHIMTYICSA-N -1 1 390.398 1.272 20 0 GDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC001571295403 946161896 /nfs/dbraw/zinc/16/18/96/946161896.db2.gz RYCVNDFNCCRQQG-GFCCVEGCSA-N -1 1 389.485 1.472 20 0 GDADMM Cc1nsc(N(C)[C@@H]2CCN(C(=O)Cc3cccs3)C2)c1-c1nn[n-]n1 ZINC001571295569 946167334 /nfs/dbraw/zinc/16/73/34/946167334.db2.gz XYCKNNULJKYNJF-LLVKDONJSA-N -1 1 389.510 1.973 20 0 GDADMM COc1cc(C(=O)N2CC[C@H](Nc3snc(C)c3-c3nn[n-]n3)[C@@H]2C)on1 ZINC001571295890 946175995 /nfs/dbraw/zinc/17/59/95/946175995.db2.gz IOWKPOIRUCTOKI-IUCAKERBSA-N -1 1 390.429 1.343 20 0 GDADMM Cc1nsc(N[C@@H]2CCN(C(=O)CCc3cscn3)C2)c1-c1nn[n-]n1 ZINC001571297814 946196964 /nfs/dbraw/zinc/19/69/64/946196964.db2.gz AISAZYFAYFOBAE-SNVBAGLBSA-N -1 1 390.498 1.734 20 0 GDADMM O=C(N[C@@H]1CCCC[C@H]1Nc1cncc(-c2nnn[n-]2)n1)[C@@H]1Cc2ccccc21 ZINC001571298046 946203773 /nfs/dbraw/zinc/20/37/73/946203773.db2.gz IDGYPIOOSLJNRR-BZUAXINKSA-N -1 1 390.451 1.836 20 0 GDADMM O=C(N[C@@H]1CCCC[C@H]1Nc1cncc(-c2nn[n-]n2)n1)[C@@H]1Cc2ccccc21 ZINC001571298046 946203783 /nfs/dbraw/zinc/20/37/83/946203783.db2.gz IDGYPIOOSLJNRR-BZUAXINKSA-N -1 1 390.451 1.836 20 0 GDADMM O=C(NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1)C1(c2ccccc2)CC1 ZINC001571298230 946211702 /nfs/dbraw/zinc/21/17/02/946211702.db2.gz KLIZFDXJCLEVJO-UHFFFAOYSA-N -1 1 390.451 1.117 20 0 GDADMM O=C(C[C@H]1CCc2ccccc21)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571298483 946219590 /nfs/dbraw/zinc/21/95/90/946219590.db2.gz PFEBJJZDRASLPE-CABCVRRESA-N -1 1 390.451 1.472 20 0 GDADMM O=C(C[C@H]1CCc2ccccc21)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571298483 946219603 /nfs/dbraw/zinc/21/96/03/946219603.db2.gz PFEBJJZDRASLPE-CABCVRRESA-N -1 1 390.451 1.472 20 0 GDADMM O=C(NCC1CCN(c2nccnc2-c2nnn[n-]2)CC1)[C@@H]1Cc2ccccc21 ZINC001571298724 946228138 /nfs/dbraw/zinc/22/81/38/946228138.db2.gz PVHBFPFNKWYNOI-MRXNPFEDSA-N -1 1 390.451 1.329 20 0 GDADMM O=C(NCC1CCN(c2nccnc2-c2nn[n-]n2)CC1)[C@@H]1Cc2ccccc21 ZINC001571298724 946228149 /nfs/dbraw/zinc/22/81/49/946228149.db2.gz PVHBFPFNKWYNOI-MRXNPFEDSA-N -1 1 390.451 1.329 20 0 GDADMM O=C(N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C1(c2ccccc2)CCC1 ZINC001571298937 946232732 /nfs/dbraw/zinc/23/27/32/946232732.db2.gz RWEUNFRSOWJYGU-OAHLLOKOSA-N -1 1 390.451 1.791 20 0 GDADMM O=C(N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C1(c2ccccc2)CCC1 ZINC001571298937 946232746 /nfs/dbraw/zinc/23/27/46/946232746.db2.gz RWEUNFRSOWJYGU-OAHLLOKOSA-N -1 1 390.451 1.791 20 0 GDADMM O=C(c1ccsc1Cl)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571299110 946241849 /nfs/dbraw/zinc/24/18/49/946241849.db2.gz IVFRSNPGOUPERV-UHFFFAOYSA-N -1 1 390.860 1.724 20 0 GDADMM O=C(c1ccsc1Cl)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571299110 946241860 /nfs/dbraw/zinc/24/18/60/946241860.db2.gz IVFRSNPGOUPERV-UHFFFAOYSA-N -1 1 390.860 1.724 20 0 GDADMM C[C@]1(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CCc2ccccc21 ZINC001571299414 946249380 /nfs/dbraw/zinc/24/93/80/946249380.db2.gz QFHRXWFQTJSSHO-XOBRGWDASA-N -1 1 390.451 1.256 20 0 GDADMM C[C@]1(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CCc2ccccc21 ZINC001571299414 946249392 /nfs/dbraw/zinc/24/93/92/946249392.db2.gz QFHRXWFQTJSSHO-XOBRGWDASA-N -1 1 390.451 1.256 20 0 GDADMM O=C(c1cccc(C2CC2)c1)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571299606 946257361 /nfs/dbraw/zinc/25/73/61/946257361.db2.gz YJVWQANWGQWIIW-INIZCTEOSA-N -1 1 390.451 1.673 20 0 GDADMM O=C(c1cc(Cl)cs1)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571299658 946257776 /nfs/dbraw/zinc/25/77/76/946257776.db2.gz OFFIRNATMHAGLV-SNVBAGLBSA-N -1 1 390.860 1.510 20 0 GDADMM Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571299996 946268590 /nfs/dbraw/zinc/26/85/90/946268590.db2.gz XSXZDDAKEBNTCR-HRCADAONSA-N -1 1 390.451 1.464 20 0 GDADMM O=C(Cc1ccc(Cl)s1)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571300260 946278369 /nfs/dbraw/zinc/27/83/69/946278369.db2.gz XYHHHROQMJSRNL-DTORHVGOSA-N -1 1 390.860 1.673 20 0 GDADMM O=C(Cc1ccc(Cl)s1)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571300260 946278377 /nfs/dbraw/zinc/27/83/77/946278377.db2.gz XYHHHROQMJSRNL-DTORHVGOSA-N -1 1 390.860 1.673 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cccnc1C1CC1 ZINC001571302663 946309144 /nfs/dbraw/zinc/30/91/44/946309144.db2.gz DWQDPZVEQMQAMQ-BJHJDKERSA-N -1 1 391.439 1.550 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cccnc1C1CC1 ZINC001571302663 946309158 /nfs/dbraw/zinc/30/91/58/946309158.db2.gz DWQDPZVEQMQAMQ-BJHJDKERSA-N -1 1 391.439 1.550 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccncc3)C2)n1 ZINC001571302641 946310022 /nfs/dbraw/zinc/31/00/22/946310022.db2.gz DEDGDBBQVMUXFO-SOUVJXGZSA-N -1 1 391.439 1.177 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccncc3)C2)n1 ZINC001571302641 946310033 /nfs/dbraw/zinc/31/00/33/946310033.db2.gz DEDGDBBQVMUXFO-SOUVJXGZSA-N -1 1 391.439 1.177 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)c(C2CC2)n1 ZINC001571302626 946310967 /nfs/dbraw/zinc/31/09/67/946310967.db2.gz CYRIQCJVFFVOOO-CYBMUJFWSA-N -1 1 391.439 1.246 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)c(C2CC2)n1 ZINC001571302626 946310975 /nfs/dbraw/zinc/31/09/75/946310975.db2.gz CYRIQCJVFFVOOO-CYBMUJFWSA-N -1 1 391.439 1.246 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc(C2CC2)cn1 ZINC001571302975 946320720 /nfs/dbraw/zinc/32/07/20/946320720.db2.gz GIZQRCGGJBMRAS-SMDDNHRTSA-N -1 1 391.439 1.644 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc(C2CC2)cn1 ZINC001571302975 946320732 /nfs/dbraw/zinc/32/07/32/946320732.db2.gz GIZQRCGGJBMRAS-SMDDNHRTSA-N -1 1 391.439 1.644 20 0 GDADMM Cc1cncc(C(=O)N2CC[C@@H]3[C@@H](CCN3c3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571303245 946327908 /nfs/dbraw/zinc/32/79/08/946327908.db2.gz MMWFEXVLVQPTSW-DZGCQCFKSA-N -1 1 391.439 1.101 20 0 GDADMM Cc1cncc(C(=O)N2CC[C@@H]3[C@@H](CCN3c3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571303245 946327922 /nfs/dbraw/zinc/32/79/22/946327922.db2.gz MMWFEXVLVQPTSW-DZGCQCFKSA-N -1 1 391.439 1.101 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)CCN1C(=O)OC(C)(C)C ZINC001571303630 946341627 /nfs/dbraw/zinc/34/16/27/946341627.db2.gz OJGYRGWNLRYRIY-KOLCDFICSA-N -1 1 391.436 1.120 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)CCN1C(=O)OC(C)(C)C ZINC001571303630 946341644 /nfs/dbraw/zinc/34/16/44/946341644.db2.gz OJGYRGWNLRYRIY-KOLCDFICSA-N -1 1 391.436 1.120 20 0 GDADMM CN(c1nccnc1-c1nnn[n-]1)[C@H]1CCN(C(=O)c2ccc(C3CC3)cn2)C1 ZINC001571303804 946348510 /nfs/dbraw/zinc/34/85/10/946348510.db2.gz QJDRYLGIDXPSJZ-AWEZNQCLSA-N -1 1 391.439 1.280 20 0 GDADMM CN(c1nccnc1-c1nn[n-]n1)[C@H]1CCN(C(=O)c2ccc(C3CC3)cn2)C1 ZINC001571303804 946348522 /nfs/dbraw/zinc/34/85/22/946348522.db2.gz QJDRYLGIDXPSJZ-AWEZNQCLSA-N -1 1 391.439 1.280 20 0 GDADMM Cc1nsc(N2CC[C@@H](NC(=O)C3CCOCC3)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571305458 946364686 /nfs/dbraw/zinc/36/46/86/946364686.db2.gz BSIZDCICMCBMGF-ZWNOBZJWSA-N -1 1 391.501 1.532 20 0 GDADMM O=C(N[C@H]1CCCN(c2snc(Cl)c2-c2nnn[n-]2)C1)c1ncccn1 ZINC001571305875 946379939 /nfs/dbraw/zinc/37/99/39/946379939.db2.gz MRZHXSIMCGEIOP-QMMMGPOBSA-N -1 1 391.848 1.165 20 0 GDADMM O=C(N[C@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)C1)c1ncccn1 ZINC001571305875 946379953 /nfs/dbraw/zinc/37/99/53/946379953.db2.gz MRZHXSIMCGEIOP-QMMMGPOBSA-N -1 1 391.848 1.165 20 0 GDADMM Cc1nsc(NC[C@@H]2CCCCN2C(=O)c2cnsn2)c1-c1nn[n-]n1 ZINC001571306070 946386190 /nfs/dbraw/zinc/38/61/90/946386190.db2.gz OYOKEJUNELJORB-VIFPVBQESA-N -1 1 391.486 1.590 20 0 GDADMM Cc1nsc(N(CCO)[C@H]2CCCN(C(=O)[C@@H]3C[C@H]3C)C2)c1-c1nn[n-]n1 ZINC001571306307 946395303 /nfs/dbraw/zinc/39/53/03/946395303.db2.gz SAPIIGGOEFLUSX-KGYLQXTDSA-N -1 1 391.501 1.077 20 0 GDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC000823380084 946419847 /nfs/dbraw/zinc/41/98/47/946419847.db2.gz POYCVXAXSZGUGB-UHFFFAOYSA-N -1 1 382.409 1.440 20 0 GDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC000823380084 946419854 /nfs/dbraw/zinc/41/98/54/946419854.db2.gz POYCVXAXSZGUGB-UHFFFAOYSA-N -1 1 382.409 1.440 20 0 GDADMM CN(C(=O)CC1CC(F)(F)C1)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571308049 946428951 /nfs/dbraw/zinc/42/89/51/946428951.db2.gz KRRARMFYOKKVNW-UHFFFAOYSA-N -1 1 392.414 1.519 20 0 GDADMM CN(C(=O)CC1CC(F)(F)C1)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571308049 946428960 /nfs/dbraw/zinc/42/89/60/946428960.db2.gz KRRARMFYOKKVNW-UHFFFAOYSA-N -1 1 392.414 1.519 20 0 GDADMM O=C([C@@H]1CCCC(F)(F)C1)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571308312 946430905 /nfs/dbraw/zinc/43/09/05/946430905.db2.gz OJFWMQBMNILYQB-NEPJUHHUSA-N -1 1 392.414 1.307 20 0 GDADMM C[C@@H]1CN(C(=O)C[C@H]2CCC(F)(F)C2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571308330 946431032 /nfs/dbraw/zinc/43/10/32/946431032.db2.gz OUEGXGPACOAOIS-NQBHXWOUSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H]1CN(C(=O)C[C@H]2CCC(F)(F)C2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571308330 946431042 /nfs/dbraw/zinc/43/10/42/946431042.db2.gz OUEGXGPACOAOIS-NQBHXWOUSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CC1CC(F)(F)C1 ZINC001571308539 946433235 /nfs/dbraw/zinc/43/32/35/946433235.db2.gz QHAIYSFOSOCBLD-ZYHUDNBSSA-N -1 1 392.414 1.884 20 0 GDADMM C[C@@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CC1CC(F)(F)C1 ZINC001571308539 946433241 /nfs/dbraw/zinc/43/32/41/946433241.db2.gz QHAIYSFOSOCBLD-ZYHUDNBSSA-N -1 1 392.414 1.884 20 0 GDADMM CC(F)(F)C1(C(=O)N2CC[C@@H](CCNc3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571308560 946436407 /nfs/dbraw/zinc/43/64/07/946436407.db2.gz QYLRXGOLUBNSEG-LLVKDONJSA-N -1 1 392.414 1.165 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1NC(=O)C[C@@H]1CCCC1(F)F ZINC001571308895 946437898 /nfs/dbraw/zinc/43/78/98/946437898.db2.gz UODKARHVBRDPFU-GRYCIOLGSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1NC(=O)C[C@@H]1CCCC1(F)F ZINC001571308895 946437903 /nfs/dbraw/zinc/43/79/03/946437903.db2.gz UODKARHVBRDPFU-GRYCIOLGSA-N -1 1 392.414 1.423 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CC[C@@H]21 ZINC001571309418 946444433 /nfs/dbraw/zinc/44/44/33/946444433.db2.gz ZNMUHWGHVXZQPV-NEPJUHHUSA-N -1 1 392.414 1.519 20 0 GDADMM C[C@@H]1Cc2cccc(C(=O)N3CC[C@@H](Nc4nccnc4-c4nnn[n-]4)C3)c2O1 ZINC001571309508 946446629 /nfs/dbraw/zinc/44/66/29/946446629.db2.gz CBLDYKMVVBTHCZ-DGCLKSJQSA-N -1 1 392.423 1.307 20 0 GDADMM C[C@@H]1Cc2cccc(C(=O)N3CC[C@@H](Nc4nccnc4-c4nn[n-]n4)C3)c2O1 ZINC001571309508 946446634 /nfs/dbraw/zinc/44/66/34/946446634.db2.gz CBLDYKMVVBTHCZ-DGCLKSJQSA-N -1 1 392.423 1.307 20 0 GDADMM O=C(N[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CC1)[C@H]1CCC(F)(F)C1 ZINC001571309637 946448434 /nfs/dbraw/zinc/44/84/34/946448434.db2.gz GFTQQHDMPIAGPB-SRVKXCTJSA-N -1 1 392.414 1.931 20 0 GDADMM O=C(N[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CC1)[C@H]1CCC(F)(F)C1 ZINC001571309637 946448441 /nfs/dbraw/zinc/44/84/41/946448441.db2.gz GFTQQHDMPIAGPB-SRVKXCTJSA-N -1 1 392.414 1.931 20 0 GDADMM O=C(N[C@H]1CCCN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001571309769 946452651 /nfs/dbraw/zinc/45/26/51/946452651.db2.gz KDQLRFATYDJEGQ-AWEZNQCLSA-N -1 1 392.423 1.688 20 0 GDADMM O=C(N[C@H]1CCCN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001571309769 946452659 /nfs/dbraw/zinc/45/26/59/946452659.db2.gz KDQLRFATYDJEGQ-AWEZNQCLSA-N -1 1 392.423 1.688 20 0 GDADMM CN(C(=O)c1ccc2c(c1)COC2)C1CC(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571309801 946454037 /nfs/dbraw/zinc/45/40/37/946454037.db2.gz LGMLRVKNZMHSKZ-UHFFFAOYSA-N -1 1 392.423 1.402 20 0 GDADMM CN(C(=O)c1ccc2c(c1)COC2)C1CC(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571309801 946454044 /nfs/dbraw/zinc/45/40/44/946454044.db2.gz LGMLRVKNZMHSKZ-UHFFFAOYSA-N -1 1 392.423 1.402 20 0 GDADMM O=C([C@H]1CCc2ccccc2O1)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571309933 946456900 /nfs/dbraw/zinc/45/69/00/946456900.db2.gz PTCKJKYMBHZXMQ-CZUORRHYSA-N -1 1 392.423 1.063 20 0 GDADMM O=C([C@H]1CCc2ccccc2O1)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571309933 946456908 /nfs/dbraw/zinc/45/69/08/946456908.db2.gz PTCKJKYMBHZXMQ-CZUORRHYSA-N -1 1 392.423 1.063 20 0 GDADMM COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N(C)C[C@H]1CCCN1C ZINC000325665986 971235035 /nfs/dbraw/zinc/23/50/35/971235035.db2.gz ISRWOFKMMHPTQV-LLVKDONJSA-N -1 1 376.862 1.762 20 0 GDADMM CCc1ccccc1CC(=O)N1CC[C@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571313393 946519801 /nfs/dbraw/zinc/51/98/01/946519801.db2.gz OAWHWLCGCVUFNX-INIZCTEOSA-N -1 1 392.467 1.499 20 0 GDADMM CCc1ccccc1CC(=O)N1CC[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571313393 946519809 /nfs/dbraw/zinc/51/98/09/946519809.db2.gz OAWHWLCGCVUFNX-INIZCTEOSA-N -1 1 392.467 1.499 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N(C)[C@@H]2CCN(C(=O)c3ccc(C)cc3)C2)n1 ZINC001571313508 946525410 /nfs/dbraw/zinc/52/54/10/946525410.db2.gz QMHPZGMCXZHWHF-OAHLLOKOSA-N -1 1 392.467 1.878 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N(C)[C@@H]2CCN(C(=O)c3ccc(C)cc3)C2)n1 ZINC001571313508 946525424 /nfs/dbraw/zinc/52/54/24/946525424.db2.gz QMHPZGMCXZHWHF-OAHLLOKOSA-N -1 1 392.467 1.878 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC001571313718 946529456 /nfs/dbraw/zinc/52/94/56/946529456.db2.gz UTGHSJIWXYRZSY-GDBMZVCRSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC001571313718 946529465 /nfs/dbraw/zinc/52/94/65/946529465.db2.gz UTGHSJIWXYRZSY-GDBMZVCRSA-N -1 1 392.467 1.888 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](NC(=O)c3cc(C)cc(C)c3)C2)n1 ZINC001571313863 946534657 /nfs/dbraw/zinc/53/46/57/946534657.db2.gz XKWIAGWXISTVIC-OAHLLOKOSA-N -1 1 392.467 1.845 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](NC(=O)c3cc(C)cc(C)c3)C2)n1 ZINC001571313863 946534666 /nfs/dbraw/zinc/53/46/66/946534666.db2.gz XKWIAGWXISTVIC-OAHLLOKOSA-N -1 1 392.467 1.845 20 0 GDADMM Cc1ccc(CC(=O)N2CCC[C@H]2CNc2nccnc2-c2nnn[n-]2)cc1C ZINC001571314776 946545213 /nfs/dbraw/zinc/54/52/13/946545213.db2.gz CRBRVPGNHVRGPC-INIZCTEOSA-N -1 1 392.467 1.919 20 0 GDADMM Cc1ccc(CC(=O)N2CCC[C@H]2CNc2nccnc2-c2nn[n-]n2)cc1C ZINC001571314776 946545220 /nfs/dbraw/zinc/54/52/20/946545220.db2.gz CRBRVPGNHVRGPC-INIZCTEOSA-N -1 1 392.467 1.919 20 0 GDADMM Cc1ccc(C)c(C(=O)N[C@H]2CC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571314902 946545646 /nfs/dbraw/zinc/54/56/46/946545646.db2.gz DDAXUVPWVMEFDP-CABCVRRESA-N -1 1 392.467 1.706 20 0 GDADMM Cc1cc(C)cc(CC(=O)N2CC[C@H](N(C)c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571314930 946546343 /nfs/dbraw/zinc/54/63/43/946546343.db2.gz DRYPVMNFZJHIMS-INIZCTEOSA-N -1 1 392.467 1.553 20 0 GDADMM Cc1cc(C)cc(CC(=O)N2CC[C@H](N(C)c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571314930 946546345 /nfs/dbraw/zinc/54/63/45/946546345.db2.gz DRYPVMNFZJHIMS-INIZCTEOSA-N -1 1 392.467 1.553 20 0 GDADMM Cc1cc(C)cc(CC(=O)N(C)[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571315799 946558524 /nfs/dbraw/zinc/55/85/24/946558524.db2.gz OIKJIGMYVISETK-INIZCTEOSA-N -1 1 392.467 1.553 20 0 GDADMM Cc1cccc([C@H](C)C(=O)N(C)[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571316122 946567138 /nfs/dbraw/zinc/56/71/38/946567138.db2.gz UPLGGLPZZUPUFL-GOEBONIOSA-N -1 1 392.467 1.806 20 0 GDADMM Cc1cccc([C@H](C)C(=O)N(C)[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571316122 946567150 /nfs/dbraw/zinc/56/71/50/946567150.db2.gz UPLGGLPZZUPUFL-GOEBONIOSA-N -1 1 392.467 1.806 20 0 GDADMM Cc1ccccc1[C@H](C)C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571316709 946585727 /nfs/dbraw/zinc/58/57/27/946585727.db2.gz KLOAOEQIHRSYOB-AWEZNQCLSA-N -1 1 392.467 1.854 20 0 GDADMM Cc1ccccc1[C@H](C)C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571316709 946585734 /nfs/dbraw/zinc/58/57/34/946585734.db2.gz KLOAOEQIHRSYOB-AWEZNQCLSA-N -1 1 392.467 1.854 20 0 GDADMM CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001573543418 946809890 /nfs/dbraw/zinc/80/98/90/946809890.db2.gz YYHMZRKMXLBYOR-UHFFFAOYSA-N -1 1 389.322 1.765 20 0 GDADMM CC(=O)Nc1ccc(C(=O)N2CCCc3nc(-c4nnn[n-]4)ccc32)cc1F ZINC001573547944 946843969 /nfs/dbraw/zinc/84/39/69/946843969.db2.gz YTVJVJANPZFVDQ-UHFFFAOYSA-N -1 1 381.371 1.952 20 0 GDADMM CC(=O)Nc1ccc(C(=O)N2CCCc3nc(-c4nn[n-]n4)ccc32)cc1F ZINC001573547944 946843974 /nfs/dbraw/zinc/84/39/74/946843974.db2.gz YTVJVJANPZFVDQ-UHFFFAOYSA-N -1 1 381.371 1.952 20 0 GDADMM CC(=O)c1c(C)[nH]c(C(=O)Nc2ncc3c(c2-c2nn[n-]n2)COCC3)c1C ZINC001573552846 946881650 /nfs/dbraw/zinc/88/16/50/946881650.db2.gz UEGRDBMRKBHCCK-UHFFFAOYSA-N -1 1 381.396 1.734 20 0 GDADMM CC(=O)c1ccc(CCNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC001573555645 946914425 /nfs/dbraw/zinc/91/44/25/946914425.db2.gz CSIKZLNRPFZEGV-UHFFFAOYSA-N -1 1 389.412 1.729 20 0 GDADMM C[C@H]1COc2ccccc2CN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825013855 947046670 /nfs/dbraw/zinc/04/66/70/947046670.db2.gz SARFYQWSWLPGCX-NSHDSACASA-N -1 1 389.412 1.978 20 0 GDADMM CC[C@H](C)NC(=O)c1cccc(CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)c1 ZINC000825066996 947064153 /nfs/dbraw/zinc/06/41/53/947064153.db2.gz GAPSRQLSBPLJDM-NSHDSACASA-N -1 1 397.439 1.550 20 0 GDADMM CC[C@H](C)NC(=O)c1cccc(CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)c1 ZINC000825066996 947064164 /nfs/dbraw/zinc/06/41/64/947064164.db2.gz GAPSRQLSBPLJDM-NSHDSACASA-N -1 1 397.439 1.550 20 0 GDADMM CCOC(=O)[C@H](Cc1ccccc1)N(C)C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825493504 947206556 /nfs/dbraw/zinc/20/65/56/947206556.db2.gz MEVUYLQBDVKZEL-HNNXBMFYSA-N -1 1 398.423 1.338 20 0 GDADMM CCOC(=O)[C@H](Cc1ccccc1)N(C)C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825493504 947206565 /nfs/dbraw/zinc/20/65/65/947206565.db2.gz MEVUYLQBDVKZEL-HNNXBMFYSA-N -1 1 398.423 1.338 20 0 GDADMM CCOC(=O)C[C@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)c1ccccc1C ZINC000825508360 947207916 /nfs/dbraw/zinc/20/79/16/947207916.db2.gz XPSDAGXBYVBZNR-AWEZNQCLSA-N -1 1 398.423 1.825 20 0 GDADMM CCOC(=O)C[C@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)c1ccccc1C ZINC000825508360 947207922 /nfs/dbraw/zinc/20/79/22/947207922.db2.gz XPSDAGXBYVBZNR-AWEZNQCLSA-N -1 1 398.423 1.825 20 0 GDADMM CCOC(=O)C[C@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)c1ccccc1 ZINC000825505980 947208074 /nfs/dbraw/zinc/20/80/74/947208074.db2.gz AUTJMOGZPWQPER-ZDUSSCGKSA-N -1 1 384.396 1.516 20 0 GDADMM CCOC(=O)C[C@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)c1ccccc1 ZINC000825505980 947208082 /nfs/dbraw/zinc/20/80/82/947208082.db2.gz AUTJMOGZPWQPER-ZDUSSCGKSA-N -1 1 384.396 1.516 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)N(CC)C2CCCCC2)c1-c1nn[n-]n1 ZINC000825564695 947221523 /nfs/dbraw/zinc/22/15/23/947221523.db2.gz CSHQJLNMMVNZEU-UHFFFAOYSA-N -1 1 375.433 1.421 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)N[C@H](C)CCCC(C)C)c1-c1nn[n-]n1 ZINC000825565878 947226917 /nfs/dbraw/zinc/22/69/17/947226917.db2.gz ZJXOZIPBPVUXAP-GFCCVEGCSA-N -1 1 377.449 1.571 20 0 GDADMM CCc1nn(CC2(OCCCOC)CCCC2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000825762632 947319645 /nfs/dbraw/zinc/31/96/45/947319645.db2.gz FNRBAHUKRMAUOV-UHFFFAOYSA-N -1 1 390.488 1.914 20 0 GDADMM CCc1nnc(-c2cccc(NC(=O)Cc3noc(C)c3-c3nnn[n-]3)c2)o1 ZINC000825762624 947320310 /nfs/dbraw/zinc/32/03/10/947320310.db2.gz FJOAUAGKOTWNFN-UHFFFAOYSA-N -1 1 380.368 1.957 20 0 GDADMM CCc1nnc(-c2cccc(NC(=O)Cc3noc(C)c3-c3nn[n-]n3)c2)o1 ZINC000825762624 947320311 /nfs/dbraw/zinc/32/03/11/947320311.db2.gz FJOAUAGKOTWNFN-UHFFFAOYSA-N -1 1 380.368 1.957 20 0 GDADMM CCn1cnnc1-c1cccc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)c1 ZINC000825805155 947337466 /nfs/dbraw/zinc/33/74/66/947337466.db2.gz VHHBIWZIXVLGQZ-UHFFFAOYSA-N -1 1 379.384 1.623 20 0 GDADMM CCn1cnnc1-c1cccc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)c1 ZINC000825805155 947337479 /nfs/dbraw/zinc/33/74/79/947337479.db2.gz VHHBIWZIXVLGQZ-UHFFFAOYSA-N -1 1 379.384 1.623 20 0 GDADMM C=C/C(C)=C\CC(=O)NCCC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573319920 947337920 /nfs/dbraw/zinc/33/79/20/947337920.db2.gz WLKUJCLTTOZWSH-CPSFFCFKSA-N -1 1 382.472 1.902 20 0 GDADMM C=C/C(C)=C\CC(=O)NCCC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573319920 947337931 /nfs/dbraw/zinc/33/79/31/947337931.db2.gz WLKUJCLTTOZWSH-CPSFFCFKSA-N -1 1 382.472 1.902 20 0 GDADMM C[C@H](C(=O)N(C)C1CC(Nc2nccnc2-c2nnn[n-]2)C1)c1cccnc1 ZINC001573593178 947363567 /nfs/dbraw/zinc/36/35/67/947363567.db2.gz IQABHTAIHPTMRQ-XGNXJENSSA-N -1 1 379.428 1.257 20 0 GDADMM C[C@H](C(=O)N(C)C1CC(Nc2nccnc2-c2nn[n-]n2)C1)c1cccnc1 ZINC001573593178 947363577 /nfs/dbraw/zinc/36/35/77/947363577.db2.gz IQABHTAIHPTMRQ-XGNXJENSSA-N -1 1 379.428 1.257 20 0 GDADMM C[C@@H](C(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573593355 947368768 /nfs/dbraw/zinc/36/87/68/947368768.db2.gz RWQDQEJUHUFZNJ-NEPJUHHUSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@@H](C(=O)N(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)C(C)(F)F ZINC001573593902 947380992 /nfs/dbraw/zinc/38/09/92/947380992.db2.gz MRNNPLDHJIAJTN-JOYOIKCWSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@@H](C(=O)N(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)C(C)(F)F ZINC001573593902 947381007 /nfs/dbraw/zinc/38/10/07/947381007.db2.gz MRNNPLDHJIAJTN-JOYOIKCWSA-N -1 1 380.403 1.597 20 0 GDADMM CC(C)N(CCN(C)c1nccnc1-c1nnn[n-]1)C(=O)[C@@H](C)c1ccco1 ZINC001573603671 947495142 /nfs/dbraw/zinc/49/51/42/947495142.db2.gz JMGZIMPSWXYYQE-ZDUSSCGKSA-N -1 1 384.444 1.727 20 0 GDADMM CC(C)N(CCN(C)c1nccnc1-c1nn[n-]n1)C(=O)[C@@H](C)c1ccco1 ZINC001573603671 947495146 /nfs/dbraw/zinc/49/51/46/947495146.db2.gz JMGZIMPSWXYYQE-ZDUSSCGKSA-N -1 1 384.444 1.727 20 0 GDADMM CC(C)N(CCN(C)c1cnc(-c2nnn[n-]2)cn1)C(=O)[C@@H](C)c1ccco1 ZINC001573604560 947513700 /nfs/dbraw/zinc/51/37/00/947513700.db2.gz PBNYJZYCXJQPLB-ZDUSSCGKSA-N -1 1 384.444 1.727 20 0 GDADMM CC(C)N(CCN(C)c1cnc(-c2nn[n-]n2)cn1)C(=O)[C@@H](C)c1ccco1 ZINC001573604560 947513711 /nfs/dbraw/zinc/51/37/11/947513711.db2.gz PBNYJZYCXJQPLB-ZDUSSCGKSA-N -1 1 384.444 1.727 20 0 GDADMM C[C@@H](C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1)S(=O)(=O)c1ccc(F)cc1 ZINC001573605333 947528623 /nfs/dbraw/zinc/52/86/23/947528623.db2.gz WCCBMAHSSURYOV-JTQLQIEISA-N -1 1 390.400 1.226 20 0 GDADMM C[C@@H](C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1)S(=O)(=O)c1ccc(F)cc1 ZINC001573605333 947528631 /nfs/dbraw/zinc/52/86/31/947528631.db2.gz WCCBMAHSSURYOV-JTQLQIEISA-N -1 1 390.400 1.226 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CN(C)c2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001573614204 947580880 /nfs/dbraw/zinc/58/08/80/947580880.db2.gz DAHLTJCSDMSBKR-KGLIPLIRSA-N -1 1 381.444 1.004 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@](C)(CNc2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001573614776 947592460 /nfs/dbraw/zinc/59/24/60/947592460.db2.gz GZBODWKHQIEPJF-XIKOKIGWSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@](C)(CNc2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001573614776 947592473 /nfs/dbraw/zinc/59/24/73/947592473.db2.gz GZBODWKHQIEPJF-XIKOKIGWSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@H](C(=O)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1)C(C)(F)F ZINC001573616079 947617993 /nfs/dbraw/zinc/61/79/93/947617993.db2.gz LLJVELORUANQGS-SNVBAGLBSA-N -1 1 380.403 1.020 20 0 GDADMM C=Cc1ccc(C(=O)N2CCC(CNc3ccnc(-c4nn[n-]n4)n3)CC2)cc1 ZINC001573352244 947631106 /nfs/dbraw/zinc/63/11/06/947631106.db2.gz ZODHKDWSAJQGMG-UHFFFAOYSA-N -1 1 390.451 1.686 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CN(C)c2cncc(-c3nnn[n-]3)n2)C1)C1CCCC1 ZINC001573617293 947633994 /nfs/dbraw/zinc/63/39/94/947633994.db2.gz OOPQFFDUBGMJLD-ZIAGYGMSSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CN(C)c2cncc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573617293 947634003 /nfs/dbraw/zinc/63/40/03/947634003.db2.gz OOPQFFDUBGMJLD-ZIAGYGMSSA-N -1 1 384.488 1.768 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001573355881 947646165 /nfs/dbraw/zinc/64/61/65/947646165.db2.gz RUHRMIRMHDZJPJ-CQSZACIVSA-N -1 1 376.424 1.556 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001573355881 947646169 /nfs/dbraw/zinc/64/61/69/947646169.db2.gz RUHRMIRMHDZJPJ-CQSZACIVSA-N -1 1 376.424 1.556 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001573356578 947651225 /nfs/dbraw/zinc/65/12/25/947651225.db2.gz YGIBVJNTGVNJOB-HNNXBMFYSA-N -1 1 376.424 1.699 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001573356578 947651235 /nfs/dbraw/zinc/65/12/35/947651235.db2.gz YGIBVJNTGVNJOB-HNNXBMFYSA-N -1 1 376.424 1.699 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)c1cccs1 ZINC001573618976 947659541 /nfs/dbraw/zinc/65/95/41/947659541.db2.gz ULZZYLCQOQKIIE-VXGBXAGGSA-N -1 1 384.469 1.782 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)c1cccs1 ZINC001573618976 947659553 /nfs/dbraw/zinc/65/95/53/947659553.db2.gz ULZZYLCQOQKIIE-VXGBXAGGSA-N -1 1 384.469 1.782 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573358911 947675022 /nfs/dbraw/zinc/67/50/22/947675022.db2.gz MGYACONSEJRABR-OAHLLOKOSA-N -1 1 376.424 1.699 20 0 GDADMM C/C(=C\C(=O)N1CCC(CN(C)c2cnc(-c3nnn[n-]3)cn2)CC1)C1CC1 ZINC001573361687 947697454 /nfs/dbraw/zinc/69/74/54/947697454.db2.gz DTEBEOCPSZMOQJ-UKTHLTGXSA-N -1 1 382.472 1.688 20 0 GDADMM C/C(=C\C(=O)N1CCC(CN(C)c2cnc(-c3nn[n-]n3)cn2)CC1)C1CC1 ZINC001573361687 947697462 /nfs/dbraw/zinc/69/74/62/947697462.db2.gz DTEBEOCPSZMOQJ-UKTHLTGXSA-N -1 1 382.472 1.688 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cccc(F)c1 ZINC001573625925 947704035 /nfs/dbraw/zinc/70/40/35/947704035.db2.gz QFUVWFGEKARPKO-SMDDNHRTSA-N -1 1 382.403 1.612 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cccc(F)c1 ZINC001573625925 947704049 /nfs/dbraw/zinc/70/40/49/947704049.db2.gz QFUVWFGEKARPKO-SMDDNHRTSA-N -1 1 382.403 1.612 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cccc(F)c1 ZINC001573625992 947705909 /nfs/dbraw/zinc/70/59/09/947705909.db2.gz RDVBNINXHBYFAC-RISCZKNCSA-N -1 1 382.403 1.612 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cccc(F)c1 ZINC001573625992 947705916 /nfs/dbraw/zinc/70/59/16/947705916.db2.gz RDVBNINXHBYFAC-RISCZKNCSA-N -1 1 382.403 1.612 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1)c1ccsc1 ZINC001573627425 947722772 /nfs/dbraw/zinc/72/27/72/947722772.db2.gz BFCMYGZYCHZCAN-DGCLKSJQSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1)c1ccsc1 ZINC001573627425 947722786 /nfs/dbraw/zinc/72/27/86/947722786.db2.gz BFCMYGZYCHZCAN-DGCLKSJQSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1nccnc1-c1nnn[n-]1)n1cccc1 ZINC001573627461 947725175 /nfs/dbraw/zinc/72/51/75/947725175.db2.gz BUAYXHUPZBDXQX-KGLIPLIRSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1nccnc1-c1nn[n-]n1)n1cccc1 ZINC001573627461 947725180 /nfs/dbraw/zinc/72/51/80/947725180.db2.gz BUAYXHUPZBDXQX-KGLIPLIRSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H](C(=O)N1CCC2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC1)C1CC1 ZINC001573628600 947759120 /nfs/dbraw/zinc/75/91/20/947759120.db2.gz IZPBLJQYHYSNQR-CYBMUJFWSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573628550 947760626 /nfs/dbraw/zinc/76/06/26/947760626.db2.gz MTCTZDIBXXOWHW-HIFRSBDPSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573628550 947760628 /nfs/dbraw/zinc/76/06/28/947760628.db2.gz MTCTZDIBXXOWHW-HIFRSBDPSA-N -1 1 384.488 1.910 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@H](C)[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573367711 947762903 /nfs/dbraw/zinc/76/29/03/947762903.db2.gz GOXRNHHSZJGLMJ-JSGCOSHPSA-N -1 1 386.460 1.313 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@H](C)[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573367711 947762907 /nfs/dbraw/zinc/76/29/07/947762907.db2.gz GOXRNHHSZJGLMJ-JSGCOSHPSA-N -1 1 386.460 1.313 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@H](C)[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573369217 947772219 /nfs/dbraw/zinc/77/22/19/947772219.db2.gz RQTWZCLKDIXVSB-GXTWGEPZSA-N -1 1 386.460 1.313 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@H](C)[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573369217 947772227 /nfs/dbraw/zinc/77/22/27/947772227.db2.gz RQTWZCLKDIXVSB-GXTWGEPZSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)C(C)(F)F ZINC001573629116 947772937 /nfs/dbraw/zinc/77/29/37/947772937.db2.gz MFYKRTWUKBHIIP-GHMZBOCLSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573629116 947772942 /nfs/dbraw/zinc/77/29/42/947772942.db2.gz MFYKRTWUKBHIIP-GHMZBOCLSA-N -1 1 380.403 1.599 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001573372648 947782563 /nfs/dbraw/zinc/78/25/63/947782563.db2.gz BCASYWMKDFOSAA-CQSZACIVSA-N -1 1 386.460 1.233 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001573372648 947782566 /nfs/dbraw/zinc/78/25/66/947782566.db2.gz BCASYWMKDFOSAA-CQSZACIVSA-N -1 1 386.460 1.233 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccnc(-c2nn[n-]n2)n1)C1CCC1 ZINC001573630560 947792426 /nfs/dbraw/zinc/79/24/26/947792426.db2.gz YQSGKKPIVQIEJO-NWANDNLSSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](CNc2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001573630818 947797023 /nfs/dbraw/zinc/79/70/23/947797023.db2.gz SOZILHOLLVMLES-NXEZZACHSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](CNc2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001573630818 947797030 /nfs/dbraw/zinc/79/70/30/947797030.db2.gz SOZILHOLLVMLES-NXEZZACHSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001573630819 947797436 /nfs/dbraw/zinc/79/74/36/947797436.db2.gz SOZILHOLLVMLES-UWVGGRQHSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001573630819 947797443 /nfs/dbraw/zinc/79/74/43/947797443.db2.gz SOZILHOLLVMLES-UWVGGRQHSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)c1ccco1 ZINC001573632307 947813407 /nfs/dbraw/zinc/81/34/07/947813407.db2.gz ZYTLUAGXCCHQEB-OLZOCXBDSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001573632307 947813411 /nfs/dbraw/zinc/81/34/11/947813411.db2.gz ZYTLUAGXCCHQEB-OLZOCXBDSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@H](C(=O)N1CCCO[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)C(C)(C)C ZINC001573637954 947828870 /nfs/dbraw/zinc/82/88/70/947828870.db2.gz XCFPISKXEMBVFH-CHWSQXEVSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@H](C(=O)N1CCCO[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)C(C)(C)C ZINC001573637954 947828880 /nfs/dbraw/zinc/82/88/80/947828880.db2.gz XCFPISKXEMBVFH-CHWSQXEVSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001573639663 947845649 /nfs/dbraw/zinc/84/56/49/947845649.db2.gz AVRLXKPCHGJSQE-VWYCJHECSA-N -1 1 398.393 1.894 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001573639663 947845652 /nfs/dbraw/zinc/84/56/52/947845652.db2.gz AVRLXKPCHGJSQE-VWYCJHECSA-N -1 1 398.393 1.894 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001573380910 947866859 /nfs/dbraw/zinc/86/68/59/947866859.db2.gz JTEPCSJTTLTPIT-GXTWGEPZSA-N -1 1 386.460 1.198 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001573380910 947866872 /nfs/dbraw/zinc/86/68/72/947866872.db2.gz JTEPCSJTTLTPIT-GXTWGEPZSA-N -1 1 386.460 1.198 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](CNc2nccnc2-c2nnn[n-]2)[C@H](C)C1)c1cccnc1 ZINC001573647407 947892078 /nfs/dbraw/zinc/89/20/78/947892078.db2.gz KGSIOEIDZLXGII-UMVBOHGHSA-N -1 1 393.455 1.362 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](CNc2nccnc2-c2nn[n-]n2)[C@H](C)C1)c1cccnc1 ZINC001573647407 947892085 /nfs/dbraw/zinc/89/20/85/947892085.db2.gz KGSIOEIDZLXGII-UMVBOHGHSA-N -1 1 393.455 1.362 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1F ZINC001573647498 947896458 /nfs/dbraw/zinc/89/64/58/947896458.db2.gz MYLGHOUSBOEGKQ-LALPHHSUSA-N -1 1 396.430 1.280 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](C)[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1)C(C)(C)C ZINC001573647885 947903330 /nfs/dbraw/zinc/90/33/30/947903330.db2.gz VCNGBSPAULWGLP-HZSPNIEDSA-N -1 1 386.504 1.657 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1C[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573384880 947907981 /nfs/dbraw/zinc/90/79/81/947907981.db2.gz ZUFWAPRXPMGSIR-DTORHVGOSA-N -1 1 383.865 1.795 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1C[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573384880 947907984 /nfs/dbraw/zinc/90/79/84/947907984.db2.gz ZUFWAPRXPMGSIR-DTORHVGOSA-N -1 1 383.865 1.795 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1)C1CCC1 ZINC001573651492 947921588 /nfs/dbraw/zinc/92/15/88/947921588.db2.gz MLDNDOVXOOSQAT-YUELXQCFSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1)C1CCC1 ZINC001573651492 947921596 /nfs/dbraw/zinc/92/15/96/947921596.db2.gz MLDNDOVXOOSQAT-YUELXQCFSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1)C1CCC1 ZINC001573652019 947927231 /nfs/dbraw/zinc/92/72/31/947927231.db2.gz UNISXPZPGXBMGR-YUELXQCFSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1)C1CCC1 ZINC001573652019 947927236 /nfs/dbraw/zinc/92/72/36/947927236.db2.gz UNISXPZPGXBMGR-YUELXQCFSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H](C(=O)N[C@](C)(CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)C(C)(F)F ZINC001573652103 947929872 /nfs/dbraw/zinc/92/98/72/947929872.db2.gz AWHRSWBGOWUQTD-BJOHPYRUSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@@H](C(=O)N[C@](C)(CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)C(C)(F)F ZINC001573652103 947929877 /nfs/dbraw/zinc/92/98/77/947929877.db2.gz AWHRSWBGOWUQTD-BJOHPYRUSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)c1ccsc1 ZINC001573652456 947938671 /nfs/dbraw/zinc/93/86/71/947938671.db2.gz CIDRPUWJPVVHHX-GWCFXTLKSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)c1ccsc1 ZINC001573652456 947938674 /nfs/dbraw/zinc/93/86/74/947938674.db2.gz CIDRPUWJPVVHHX-GWCFXTLKSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)c1cccs1 ZINC001573653386 947955586 /nfs/dbraw/zinc/95/55/86/947955586.db2.gz LFYVLFPDMYKXER-JQWIXIFHSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)c1cccs1 ZINC001573653386 947955589 /nfs/dbraw/zinc/95/55/89/947955589.db2.gz LFYVLFPDMYKXER-JQWIXIFHSA-N -1 1 384.469 1.829 20 0 GDADMM Cc1nn(-c2ccccc2)c(CN2CCN(C(=O)C(C)C)CC2)c1-c1nn[n-]n1 ZINC000826331983 947965583 /nfs/dbraw/zinc/96/55/83/947965583.db2.gz GCWUEOLKUGVALC-UHFFFAOYSA-N -1 1 394.483 1.661 20 0 GDADMM C[C@@H](C(=O)N[C@](C)(CNc1nccnc1-c1nnn[n-]1)C1CC1)C(F)(F)F ZINC001573654502 947968455 /nfs/dbraw/zinc/96/84/55/947968455.db2.gz ROPSAFQGTFBXHP-RMLUDKJBSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](C(=O)N[C@](C)(CNc1nccnc1-c1nn[n-]n1)C1CC1)C(F)(F)F ZINC001573654502 947968462 /nfs/dbraw/zinc/96/84/62/947968462.db2.gz ROPSAFQGTFBXHP-RMLUDKJBSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)c1ccsc1 ZINC001573655409 947976579 /nfs/dbraw/zinc/97/65/79/947976579.db2.gz XGDOLQNNOPZYCS-GXFFZTMASA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)c1ccsc1 ZINC001573655409 947976586 /nfs/dbraw/zinc/97/65/86/947976586.db2.gz XGDOLQNNOPZYCS-GXFFZTMASA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)NC1(C2CCN(c3nccnc3-c3nnn[n-]3)CC2)CC1)C1CC1 ZINC001573656151 947986464 /nfs/dbraw/zinc/98/64/64/947986464.db2.gz CGXYASXFXXKKDO-GFCCVEGCSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](C(=O)NC1(C2CCN(c3nccnc3-c3nn[n-]n3)CC2)CC1)C1CC1 ZINC001573656151 947986470 /nfs/dbraw/zinc/98/64/70/947986470.db2.gz CGXYASXFXXKKDO-GFCCVEGCSA-N -1 1 382.472 1.568 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c1-c1nnn[n-]1 ZINC000826344651 948012401 /nfs/dbraw/zinc/01/24/01/948012401.db2.gz NOANCUXEOBCMEE-CYBMUJFWSA-N -1 1 398.398 1.966 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c1-c1nn[n-]n1 ZINC000826344651 948012410 /nfs/dbraw/zinc/01/24/10/948012410.db2.gz NOANCUXEOBCMEE-CYBMUJFWSA-N -1 1 398.398 1.966 20 0 GDADMM Cc1onc(CC(=O)N2CCN(c3cccc(F)c3F)CC2)c1-c1nnn[n-]1 ZINC000826345006 948017189 /nfs/dbraw/zinc/01/71/89/948017189.db2.gz ZDQFPCPIYQXCNQ-UHFFFAOYSA-N -1 1 389.366 1.333 20 0 GDADMM Cc1onc(CC(=O)N2CCN(c3cccc(F)c3F)CC2)c1-c1nn[n-]n1 ZINC000826345006 948017195 /nfs/dbraw/zinc/01/71/95/948017195.db2.gz ZDQFPCPIYQXCNQ-UHFFFAOYSA-N -1 1 389.366 1.333 20 0 GDADMM Cc1onc(CC(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)c1-c1nnn[n-]1 ZINC000826345372 948023875 /nfs/dbraw/zinc/02/38/75/948023875.db2.gz KBOCXWRCHRSWGX-SFHVURJKSA-N -1 1 398.423 1.990 20 0 GDADMM Cc1onc(CC(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)c1-c1nn[n-]n1 ZINC000826345372 948023885 /nfs/dbraw/zinc/02/38/85/948023885.db2.gz KBOCXWRCHRSWGX-SFHVURJKSA-N -1 1 398.423 1.990 20 0 GDADMM C[C@H](C(=O)NC1(CNc2cnc(-c3nnn[n-]3)cn2)CCCC1)n1cccc1 ZINC001573662408 948025327 /nfs/dbraw/zinc/02/53/27/948025327.db2.gz DFYJAOBGKJZQJM-CYBMUJFWSA-N -1 1 381.444 1.560 20 0 GDADMM C[C@H](C(=O)NC1(CNc2cnc(-c3nn[n-]n3)cn2)CCCC1)n1cccc1 ZINC001573662408 948025337 /nfs/dbraw/zinc/02/53/37/948025337.db2.gz DFYJAOBGKJZQJM-CYBMUJFWSA-N -1 1 381.444 1.560 20 0 GDADMM C[C@@H](C(=O)NC1(CNc2cnc(-c3nnn[n-]3)cn2)CCCC1)C(F)(F)F ZINC001573662689 948027213 /nfs/dbraw/zinc/02/72/13/948027213.db2.gz DZZARXMDCAUOJF-VIFPVBQESA-N -1 1 384.366 1.696 20 0 GDADMM C[C@@H](C(=O)NC1(CNc2cnc(-c3nn[n-]n3)cn2)CCCC1)C(F)(F)F ZINC001573662689 948027221 /nfs/dbraw/zinc/02/72/21/948027221.db2.gz DZZARXMDCAUOJF-VIFPVBQESA-N -1 1 384.366 1.696 20 0 GDADMM C[C@@H](C(=O)NC1(CNc2cncc(-c3nnn[n-]3)n2)CCCC1)c1ccco1 ZINC001573662430 948028499 /nfs/dbraw/zinc/02/84/99/948028499.db2.gz DXOKIESCWQCBSV-GFCCVEGCSA-N -1 1 382.428 1.894 20 0 GDADMM C[C@@H](C(=O)NC1(CNc2cncc(-c3nn[n-]n3)n2)CCCC1)c1ccco1 ZINC001573662430 948028507 /nfs/dbraw/zinc/02/85/07/948028507.db2.gz DXOKIESCWQCBSV-GFCCVEGCSA-N -1 1 382.428 1.894 20 0 GDADMM C[C@H](C(=O)NC1(CNc2nccnc2-c2nnn[n-]2)CCCC1)[C@H]1CCCO1 ZINC001573662808 948029550 /nfs/dbraw/zinc/02/95/50/948029550.db2.gz GYYZXKHOBLYRDW-QWHCGFSZSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](C(=O)NC1(CNc2nccnc2-c2nn[n-]n2)CCCC1)[C@H]1CCCO1 ZINC001573662808 948029557 /nfs/dbraw/zinc/02/95/57/948029557.db2.gz GYYZXKHOBLYRDW-QWHCGFSZSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2)C(C)(C)C ZINC001573663739 948038989 /nfs/dbraw/zinc/03/89/89/948038989.db2.gz PFZZQSRGZKAXRW-OCCSQVGLSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2)C(C)(C)C ZINC001573663739 948038992 /nfs/dbraw/zinc/03/89/92/948038992.db2.gz PFZZQSRGZKAXRW-OCCSQVGLSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1)c1cccnc1 ZINC001573664549 948056167 /nfs/dbraw/zinc/05/61/67/948056167.db2.gz VCFUHJCXTGWLBE-LKSINWNRSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@@H](C(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1)c1cccnc1 ZINC001573664549 948056179 /nfs/dbraw/zinc/05/61/79/948056179.db2.gz VCFUHJCXTGWLBE-LKSINWNRSA-N -1 1 379.428 1.162 20 0 GDADMM Cc1onc(CC(=O)NCCc2ccc(OC(F)(F)F)cc2)c1-c1nnn[n-]1 ZINC000826347693 948057543 /nfs/dbraw/zinc/05/75/43/948057543.db2.gz AIVPJXRBGHGMHI-UHFFFAOYSA-N -1 1 396.329 1.963 20 0 GDADMM Cc1onc(CC(=O)NCCc2ccc(OC(F)(F)F)cc2)c1-c1nn[n-]n1 ZINC000826347693 948057547 /nfs/dbraw/zinc/05/75/47/948057547.db2.gz AIVPJXRBGHGMHI-UHFFFAOYSA-N -1 1 396.329 1.963 20 0 GDADMM Cc1onc(CC(=O)Nc2cc(N3CCCC3=O)ccc2F)c1-c1nnn[n-]1 ZINC000826348289 948069719 /nfs/dbraw/zinc/06/97/19/948069719.db2.gz FRUBRVIAGCEXKI-UHFFFAOYSA-N -1 1 385.359 1.610 20 0 GDADMM Cc1onc(CC(=O)Nc2cc(N3CCCC3=O)ccc2F)c1-c1nn[n-]n1 ZINC000826348289 948069727 /nfs/dbraw/zinc/06/97/27/948069727.db2.gz FRUBRVIAGCEXKI-UHFFFAOYSA-N -1 1 385.359 1.610 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C1CCCC1 ZINC001573665866 948078874 /nfs/dbraw/zinc/07/88/74/948078874.db2.gz NUXJQPACQQNQMK-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C1CCCC1 ZINC001573665866 948078884 /nfs/dbraw/zinc/07/88/84/948078884.db2.gz NUXJQPACQQNQMK-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C(=O)NC1CC2(C1)CC(Nc1cncc(-c3nnn[n-]3)n1)C2)=C1CCC1 ZINC001573666208 948082445 /nfs/dbraw/zinc/08/24/45/948082445.db2.gz QSKMUAYTUDRTLH-UHFFFAOYSA-N -1 1 380.456 1.996 20 0 GDADMM CC(C(=O)NC1CC2(C1)CC(Nc1cncc(-c3nn[n-]n3)n1)C2)=C1CCC1 ZINC001573666208 948082453 /nfs/dbraw/zinc/08/24/53/948082453.db2.gz QSKMUAYTUDRTLH-UHFFFAOYSA-N -1 1 380.456 1.996 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1)C(C)(F)F ZINC001573675338 948121128 /nfs/dbraw/zinc/12/11/28/948121128.db2.gz PSPCJMTYTCZWIT-RNFRBKRXSA-N -1 1 391.835 1.963 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1)C(C)(F)F ZINC001573675338 948121132 /nfs/dbraw/zinc/12/11/32/948121132.db2.gz PSPCJMTYTCZWIT-RNFRBKRXSA-N -1 1 391.835 1.963 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C)C1CCC1 ZINC001573676757 948128531 /nfs/dbraw/zinc/12/85/31/948128531.db2.gz VJKWAQAHGBOLBE-DOMZBBRYSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C)C1CCC1 ZINC001573676757 948128536 /nfs/dbraw/zinc/12/85/36/948128536.db2.gz VJKWAQAHGBOLBE-DOMZBBRYSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C(=O)N[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C[C@H]1O)=C1CCC1 ZINC001573676784 948128687 /nfs/dbraw/zinc/12/86/87/948128687.db2.gz VLLMBOUSBRVHGJ-QWHCGFSZSA-N -1 1 389.485 1.188 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C)C(F)(F)F ZINC001573680747 948186731 /nfs/dbraw/zinc/18/67/31/948186731.db2.gz RLMWXLFGWDQNFY-DTWKUNHWSA-N -1 1 384.366 1.186 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C)C1CCCC1 ZINC001573680751 948188581 /nfs/dbraw/zinc/18/85/81/948188581.db2.gz RNGOYQCBXDCIIU-IUODEOHRSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C)C1CCCC1 ZINC001573680751 948188584 /nfs/dbraw/zinc/18/85/84/948188584.db2.gz RNGOYQCBXDCIIU-IUODEOHRSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CC1)c1ccccc1F ZINC001573690738 948227948 /nfs/dbraw/zinc/22/79/48/948227948.db2.gz ANGSULXNKXALJH-LLVKDONJSA-N -1 1 382.403 1.660 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CC1)c1ccccc1F ZINC001573690738 948227954 /nfs/dbraw/zinc/22/79/54/948227954.db2.gz ANGSULXNKXALJH-LLVKDONJSA-N -1 1 382.403 1.660 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCC1)c1cccnc1 ZINC001573693216 948278487 /nfs/dbraw/zinc/27/84/87/948278487.db2.gz VOPGHZVDOZKCHP-LBPRGKRZSA-N -1 1 379.428 1.306 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCC1)c1cccnc1 ZINC001573693216 948278502 /nfs/dbraw/zinc/27/85/02/948278502.db2.gz VOPGHZVDOZKCHP-LBPRGKRZSA-N -1 1 379.428 1.306 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(C)(F)F ZINC001573701521 948338688 /nfs/dbraw/zinc/33/86/88/948338688.db2.gz AOWBJFRGKQLNHN-QWRGUYRKSA-N -1 1 380.403 1.281 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(C)(F)F ZINC001573701521 948338700 /nfs/dbraw/zinc/33/87/00/948338700.db2.gz AOWBJFRGKQLNHN-QWRGUYRKSA-N -1 1 380.403 1.281 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001573702548 948347278 /nfs/dbraw/zinc/34/72/78/948347278.db2.gz FDBZRDWGZCVOCY-OLZOCXBDSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@H](C(=O)NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1)c1cccs1 ZINC001573703429 948355055 /nfs/dbraw/zinc/35/50/55/948355055.db2.gz JYWSOQFNHLQVTK-UNXYVOJBSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NCC1CC(Nc2cncc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573703429 948355063 /nfs/dbraw/zinc/35/50/63/948355063.db2.gz JYWSOQFNHLQVTK-UNXYVOJBSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1)c1ccco1 ZINC001573704209 948368770 /nfs/dbraw/zinc/36/87/70/948368770.db2.gz QNSKJIWDPAJCEE-STQMWFEESA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1)c1ccco1 ZINC001573704209 948368772 /nfs/dbraw/zinc/36/87/72/948368772.db2.gz QNSKJIWDPAJCEE-STQMWFEESA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573704322 948370479 /nfs/dbraw/zinc/37/04/79/948370479.db2.gz APHXEZBACHLAOO-NWDGAFQWSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@H](C(=O)NCC1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccsc1 ZINC001573705056 948388924 /nfs/dbraw/zinc/38/89/24/948388924.db2.gz VNSHTKZRQXSOHB-ZBOXLXRLSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NCC1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccsc1 ZINC001573705056 948388932 /nfs/dbraw/zinc/38/89/32/948388932.db2.gz VNSHTKZRQXSOHB-ZBOXLXRLSA-N -1 1 384.469 1.829 20 0 GDADMM O=S(=O)(NC[C@H]1COC2(CCCCC2)O1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826490686 948404088 /nfs/dbraw/zinc/40/40/88/948404088.db2.gz DJZKKCVOTSDZDE-LBPRGKRZSA-N -1 1 397.432 1.360 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCC1(F)F)C1CC1 ZINC001573705576 948404162 /nfs/dbraw/zinc/40/41/62/948404162.db2.gz GBTXJZZHICZYNZ-JQWIXIFHSA-N -1 1 392.414 1.281 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCC1(F)F)C1CC1 ZINC001573705576 948404169 /nfs/dbraw/zinc/40/41/69/948404169.db2.gz GBTXJZZHICZYNZ-JQWIXIFHSA-N -1 1 392.414 1.281 20 0 GDADMM O=S(=O)(NCC1CCOCC1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826490529 948404576 /nfs/dbraw/zinc/40/45/76/948404576.db2.gz YGWQBEJAOYSPFG-UHFFFAOYSA-N -1 1 391.375 1.590 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)c1cccs1 ZINC001573705754 948407432 /nfs/dbraw/zinc/40/74/32/948407432.db2.gz YHQKWNWNTDEOCV-RYUDHWBXSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)c1cccs1 ZINC001573705754 948407437 /nfs/dbraw/zinc/40/74/37/948407437.db2.gz YHQKWNWNTDEOCV-RYUDHWBXSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC001573706237 948415236 /nfs/dbraw/zinc/41/52/36/948415236.db2.gz ZNQFEBWAXBDVSP-STQMWFEESA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC001573706237 948415241 /nfs/dbraw/zinc/41/52/41/948415241.db2.gz ZNQFEBWAXBDVSP-STQMWFEESA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccsc1 ZINC001573708331 948448432 /nfs/dbraw/zinc/44/84/32/948448432.db2.gz UCRDVQAJHHINHV-RYUDHWBXSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccsc1 ZINC001573708331 948448439 /nfs/dbraw/zinc/44/84/39/948448439.db2.gz UCRDVQAJHHINHV-RYUDHWBXSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccsc1 ZINC001573708427 948450429 /nfs/dbraw/zinc/45/04/29/948450429.db2.gz VFNUIWDUUZMVDO-NEPJUHHUSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C)c1ccsc1 ZINC001573726674 948550502 /nfs/dbraw/zinc/55/05/02/948550502.db2.gz JFYJLIXFYAYCPJ-YRGRVCCFSA-N -1 1 398.496 1.710 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)[C@@H](C)C(C)(C)C ZINC001573727541 948555364 /nfs/dbraw/zinc/55/53/64/948555364.db2.gz ADHROTUDKBCXLT-AAVRWANBSA-N -1 1 386.504 1.704 20 0 GDADMM C[C@@H](C(=O)NC[C@]12CCC[C@H]1N(c1nccnc1-c1nnn[n-]1)CC2)C1CC1 ZINC001573729114 948565925 /nfs/dbraw/zinc/56/59/25/948565925.db2.gz GZKCCKUATJAZDS-BBEGDGIKSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](C(=O)NC[C@]12CCC[C@H]1N(c1nccnc1-c1nn[n-]n1)CC2)C1CC1 ZINC001573729114 948565933 /nfs/dbraw/zinc/56/59/33/948565933.db2.gz GZKCCKUATJAZDS-BBEGDGIKSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H](C)c1ccc(F)cc1F ZINC001573732141 948600581 /nfs/dbraw/zinc/60/05/81/948600581.db2.gz LPDHJNYXBXXEIX-UWVGGRQHSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H](C)c1ccc(F)cc1F ZINC001573732141 948600583 /nfs/dbraw/zinc/60/05/83/948600583.db2.gz LPDHJNYXBXXEIX-UWVGGRQHSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)[C@H](C)n1cccc1 ZINC001573742373 948660946 /nfs/dbraw/zinc/66/09/46/948660946.db2.gz LODIZRKYECNGRX-BDAKNGLRSA-N -1 1 380.865 1.956 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@H](C)n1cccc1 ZINC001573742373 948660949 /nfs/dbraw/zinc/66/09/49/948660949.db2.gz LODIZRKYECNGRX-BDAKNGLRSA-N -1 1 380.865 1.956 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H]1C)c1ccsc1 ZINC001573745109 948668875 /nfs/dbraw/zinc/66/88/75/948668875.db2.gz AYSYMYLBSZSBGM-LOWVWBTDSA-N -1 1 384.469 1.605 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H]1C)c1ccsc1 ZINC001573745109 948668879 /nfs/dbraw/zinc/66/88/79/948668879.db2.gz AYSYMYLBSZSBGM-LOWVWBTDSA-N -1 1 384.469 1.605 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cccc(F)c1 ZINC001573747835 948692545 /nfs/dbraw/zinc/69/25/45/948692545.db2.gz PJALOUOZSCXMTF-HONMWMINSA-N -1 1 382.403 1.659 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cccc(F)c1 ZINC001573747835 948692551 /nfs/dbraw/zinc/69/25/51/948692551.db2.gz PJALOUOZSCXMTF-HONMWMINSA-N -1 1 382.403 1.659 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)c1ccsc1 ZINC001573749372 948701872 /nfs/dbraw/zinc/70/18/72/948701872.db2.gz ZBIPGINAVXFDOH-NQBHXWOUSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)c1ccsc1 ZINC001573749372 948701877 /nfs/dbraw/zinc/70/18/77/948701877.db2.gz ZBIPGINAVXFDOH-NQBHXWOUSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)C1CCCC1 ZINC001573751847 948704944 /nfs/dbraw/zinc/70/49/44/948704944.db2.gz FUGYEFDABULYMV-AEIGPULVSA-N -1 1 382.472 1.709 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573751847 948704948 /nfs/dbraw/zinc/70/49/48/948704948.db2.gz FUGYEFDABULYMV-AEIGPULVSA-N -1 1 382.472 1.709 20 0 GDADMM CC(C)c1ccc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001574416323 948746687 /nfs/dbraw/zinc/74/66/87/948746687.db2.gz QOLJRXWWRRQDDJ-HNNXBMFYSA-N -1 1 378.440 1.529 20 0 GDADMM CC(C)c1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nnn[n-]3)nn2)nc1 ZINC001574416591 948753475 /nfs/dbraw/zinc/75/34/75/948753475.db2.gz ZCBMBPTUSYMKOG-KBPBESRZSA-N -1 1 391.439 1.278 20 0 GDADMM CC(C)c1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nn[n-]n3)nn2)nc1 ZINC001574416591 948753484 /nfs/dbraw/zinc/75/34/84/948753484.db2.gz ZCBMBPTUSYMKOG-KBPBESRZSA-N -1 1 391.439 1.278 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCC(Nc3cncc(-c4nnn[n-]4)n3)CC2)CC1 ZINC001575222105 948755340 /nfs/dbraw/zinc/75/53/40/948755340.db2.gz DYQKHOXUOGIPNW-UHFFFAOYSA-N -1 1 378.387 1.495 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCC(Nc3cncc(-c4nn[n-]n4)n3)CC2)CC1 ZINC001575222105 948755349 /nfs/dbraw/zinc/75/53/49/948755349.db2.gz DYQKHOXUOGIPNW-UHFFFAOYSA-N -1 1 378.387 1.495 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@H]2CCCCN2c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575222825 948760917 /nfs/dbraw/zinc/76/09/17/948760917.db2.gz LIVMHXQBDIOHLG-LLVKDONJSA-N -1 1 392.414 1.567 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@H]2CCCCN2c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575222825 948760930 /nfs/dbraw/zinc/76/09/30/948760930.db2.gz LIVMHXQBDIOHLG-LLVKDONJSA-N -1 1 392.414 1.567 20 0 GDADMM CC(F)(F)C1(C(=O)NC2CCC(Nc3cncc(-c4nnn[n-]4)n3)CC2)CC1 ZINC001575223244 948762148 /nfs/dbraw/zinc/76/21/48/948762148.db2.gz MAGNYGNRQHHSGH-UHFFFAOYSA-N -1 1 392.414 1.931 20 0 GDADMM CC(F)(F)C1(C(=O)NC2CCC(Nc3cncc(-c4nn[n-]n4)n3)CC2)CC1 ZINC001575223244 948762162 /nfs/dbraw/zinc/76/21/62/948762162.db2.gz MAGNYGNRQHHSGH-UHFFFAOYSA-N -1 1 392.414 1.931 20 0 GDADMM C[C@@H](C(=O)Nc1cccc(Br)c1F)n1cnc(-c2nn[n-]n2)n1 ZINC001573755405 948764933 /nfs/dbraw/zinc/76/49/33/948764933.db2.gz DFAZVPWLVLALOU-LURJTMIESA-N -1 1 381.169 1.560 20 0 GDADMM CC(C)[C@@H](F)C(=O)NC[C@]12CCC[C@H]1N(c1nccnc1-c1nnn[n-]1)CC2 ZINC001574079157 948766714 /nfs/dbraw/zinc/76/67/14/948766714.db2.gz AYENGZAVRGCDED-SNUQEOBHSA-N -1 1 388.451 1.516 20 0 GDADMM CC(C)[C@@H](F)C(=O)NC[C@]12CCC[C@H]1N(c1nccnc1-c1nn[n-]n1)CC2 ZINC001574079157 948766726 /nfs/dbraw/zinc/76/67/26/948766726.db2.gz AYENGZAVRGCDED-SNUQEOBHSA-N -1 1 388.451 1.516 20 0 GDADMM CC(F)(F)CC(=O)N1CCCCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001575223892 948771725 /nfs/dbraw/zinc/77/17/25/948771725.db2.gz IDLAOXNUNLBUDW-NSHDSACASA-N -1 1 380.403 1.885 20 0 GDADMM CC(F)(F)CC(=O)N1CCCCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001575223892 948771735 /nfs/dbraw/zinc/77/17/35/948771735.db2.gz IDLAOXNUNLBUDW-NSHDSACASA-N -1 1 380.403 1.885 20 0 GDADMM CC(C)c1cccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nnn[n-]3)n2)n1 ZINC001574418145 948773644 /nfs/dbraw/zinc/77/36/44/948773644.db2.gz SWDKAZDLHACXKX-STQMWFEESA-N -1 1 391.439 1.278 20 0 GDADMM CC(C)c1cccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nn[n-]n3)n2)n1 ZINC001574418145 948773660 /nfs/dbraw/zinc/77/36/60/948773660.db2.gz SWDKAZDLHACXKX-STQMWFEESA-N -1 1 391.439 1.278 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CCC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001575223932 948774810 /nfs/dbraw/zinc/77/48/10/948774810.db2.gz PTRKGUJWQFRGBN-WDEREUQCSA-N -1 1 392.414 1.931 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CCC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001575223932 948774818 /nfs/dbraw/zinc/77/48/18/948774818.db2.gz PTRKGUJWQFRGBN-WDEREUQCSA-N -1 1 392.414 1.931 20 0 GDADMM CC(F)(F)C1(C(=O)NCC2(Nc3nccnc3-c3nnn[n-]3)CCCC2)CC1 ZINC001575224010 948777461 /nfs/dbraw/zinc/77/74/61/948777461.db2.gz SROVROBFAUPJDR-UHFFFAOYSA-N -1 1 392.414 1.933 20 0 GDADMM CC(F)(F)C1(C(=O)NCC2(Nc3nccnc3-c3nn[n-]n3)CCCC2)CC1 ZINC001575224010 948777466 /nfs/dbraw/zinc/77/74/66/948777466.db2.gz SROVROBFAUPJDR-UHFFFAOYSA-N -1 1 392.414 1.933 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001575224321 948780452 /nfs/dbraw/zinc/78/04/52/948780452.db2.gz TXDUGLYIXATZRI-NSHDSACASA-N -1 1 392.414 1.425 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001575224321 948780469 /nfs/dbraw/zinc/78/04/69/948780469.db2.gz TXDUGLYIXATZRI-NSHDSACASA-N -1 1 392.414 1.425 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cnn(C(C)(C)C)c1 ZINC001574680146 948799096 /nfs/dbraw/zinc/79/90/96/948799096.db2.gz FGAUAFDRAPGBIP-LLVKDONJSA-N -1 1 384.448 1.229 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cnn(C(C)(C)C)c1 ZINC001574680146 948799112 /nfs/dbraw/zinc/79/91/12/948799112.db2.gz FGAUAFDRAPGBIP-LLVKDONJSA-N -1 1 384.448 1.229 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1sccc1Cl ZINC001574680352 948803168 /nfs/dbraw/zinc/80/31/68/948803168.db2.gz GIWZCDPQTKKDCH-QMMMGPOBSA-N -1 1 378.849 1.992 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1sccc1Cl ZINC001574680352 948803185 /nfs/dbraw/zinc/80/31/85/948803185.db2.gz GIWZCDPQTKKDCH-QMMMGPOBSA-N -1 1 378.849 1.992 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@@]2(C1)CCCN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001575225739 948808878 /nfs/dbraw/zinc/80/88/78/948808878.db2.gz FBDIHIMLCHIJEA-KRWDZBQOSA-N -1 1 392.414 1.521 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@@]2(C1)CCCN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001575225739 948808900 /nfs/dbraw/zinc/80/89/00/948808900.db2.gz FBDIHIMLCHIJEA-KRWDZBQOSA-N -1 1 392.414 1.521 20 0 GDADMM CC(C)[C@@H](NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1ccccc1 ZINC001574080897 948809841 /nfs/dbraw/zinc/80/98/41/948809841.db2.gz VAIRTRSQWWIOJZ-OAHLLOKOSA-N -1 1 383.412 1.033 20 0 GDADMM CC(C)c1ccoc1C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574421367 948812884 /nfs/dbraw/zinc/81/28/84/948812884.db2.gz JLBRCZZNYBBCGH-GFCCVEGCSA-N -1 1 382.428 1.512 20 0 GDADMM CC(C)c1ccoc1C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574421567 948816676 /nfs/dbraw/zinc/81/66/76/948816676.db2.gz MOUUNZQLYVQKHH-BXUZGUMPSA-N -1 1 382.428 1.946 20 0 GDADMM CC(C)c1ccoc1C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574421567 948816698 /nfs/dbraw/zinc/81/66/98/948816698.db2.gz MOUUNZQLYVQKHH-BXUZGUMPSA-N -1 1 382.428 1.946 20 0 GDADMM CC(C)c1ccoc1C(=O)N1CC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574421785 948822619 /nfs/dbraw/zinc/82/26/19/948822619.db2.gz PBCXVHXASVMMIH-GFCCVEGCSA-N -1 1 382.428 1.724 20 0 GDADMM CC(C)c1ccoc1C(=O)N1CC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574421785 948822641 /nfs/dbraw/zinc/82/26/41/948822641.db2.gz PBCXVHXASVMMIH-GFCCVEGCSA-N -1 1 382.428 1.724 20 0 GDADMM CC(C)[C@H](F)C(=O)NC[C@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001574081260 948822997 /nfs/dbraw/zinc/82/29/97/948822997.db2.gz RIGKVCMOMNSFIU-IHRRRGAJSA-N -1 1 390.467 1.985 20 0 GDADMM CC(C)[C@H](F)C(=O)NC[C@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001574081260 948823021 /nfs/dbraw/zinc/82/30/21/948823021.db2.gz RIGKVCMOMNSFIU-IHRRRGAJSA-N -1 1 390.467 1.985 20 0 GDADMM CC(F)(F)CC(=O)N1CCC2(C1)CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001575226959 948823751 /nfs/dbraw/zinc/82/37/51/948823751.db2.gz QGUUYACAFCERNC-UHFFFAOYSA-N -1 1 392.414 1.521 20 0 GDADMM CC(F)(F)CC(=O)N1CCC2(C1)CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001575226959 948823768 /nfs/dbraw/zinc/82/37/68/948823768.db2.gz QGUUYACAFCERNC-UHFFFAOYSA-N -1 1 392.414 1.521 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cc1c(F)cccc1F ZINC001574683143 948840328 /nfs/dbraw/zinc/84/03/28/948840328.db2.gz VGJFRTLSKJCKHR-SNVBAGLBSA-N -1 1 388.382 1.484 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cc1c(F)cccc1F ZINC001574683143 948840343 /nfs/dbraw/zinc/84/03/43/948840343.db2.gz VGJFRTLSKJCKHR-SNVBAGLBSA-N -1 1 388.382 1.484 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573761754 948848536 /nfs/dbraw/zinc/84/85/36/948848536.db2.gz LZIBIECNXMZRIA-OKILXGFUSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)c1ccncn1 ZINC001574684185 948861713 /nfs/dbraw/zinc/86/17/13/948861713.db2.gz BYORJBLPJXPPIQ-ZETCQYMHSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)c1ccncn1 ZINC001574684185 948861729 /nfs/dbraw/zinc/86/17/29/948861729.db2.gz BYORJBLPJXPPIQ-ZETCQYMHSA-N -1 1 379.837 1.387 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)C1CCOCC1 ZINC001573763745 948871095 /nfs/dbraw/zinc/87/10/95/948871095.db2.gz GRGMQALCCZHBBE-CYBMUJFWSA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)C1CCOCC1 ZINC001573763745 948871114 /nfs/dbraw/zinc/87/11/14/948871114.db2.gz GRGMQALCCZHBBE-CYBMUJFWSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)c1cncnc1 ZINC001574684512 948873650 /nfs/dbraw/zinc/87/36/50/948873650.db2.gz HODSPORWHHMLIT-ZETCQYMHSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)c1cncnc1 ZINC001574684512 948873668 /nfs/dbraw/zinc/87/36/68/948873668.db2.gz HODSPORWHHMLIT-ZETCQYMHSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001574684557 948874212 /nfs/dbraw/zinc/87/42/12/948874212.db2.gz IJIYKGXWUQKUSN-HXFLIBJXSA-N -1 1 383.865 1.176 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001574684557 948874227 /nfs/dbraw/zinc/87/42/27/948874227.db2.gz IJIYKGXWUQKUSN-HXFLIBJXSA-N -1 1 383.865 1.176 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)[C@]12C[C@H]1COC2 ZINC001574684873 948892627 /nfs/dbraw/zinc/89/26/27/948892627.db2.gz OCMOHXXHPILOJW-KXEKKFMESA-N -1 1 383.865 1.320 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)[C@]12C[C@H]1COC2 ZINC001574684873 948892646 /nfs/dbraw/zinc/89/26/46/948892646.db2.gz OCMOHXXHPILOJW-KXEKKFMESA-N -1 1 383.865 1.320 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)Cn1ccnc1 ZINC001574684970 948894877 /nfs/dbraw/zinc/89/48/77/948894877.db2.gz QALJLYXEKNNIGQ-MRVPVSSYSA-N -1 1 381.853 1.180 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)Cn1ccnc1 ZINC001574684970 948894904 /nfs/dbraw/zinc/89/49/04/948894904.db2.gz QALJLYXEKNNIGQ-MRVPVSSYSA-N -1 1 381.853 1.180 20 0 GDADMM CC(C)(C(=O)N1CC[C@@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1)C(F)F ZINC001573765332 948906006 /nfs/dbraw/zinc/90/60/06/948906006.db2.gz YSLDAWPYYBJQMC-QGZVFWFLSA-N -1 1 392.414 1.377 20 0 GDADMM CC(C)(C(=O)N1CC[C@@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1)C(F)F ZINC001573765332 948906018 /nfs/dbraw/zinc/90/60/18/948906018.db2.gz YSLDAWPYYBJQMC-QGZVFWFLSA-N -1 1 392.414 1.377 20 0 GDADMM CC(C)[C@H]1C[C@H](C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CCO1 ZINC001574088320 948919153 /nfs/dbraw/zinc/91/91/53/948919153.db2.gz AUGPUMWDIATKCN-RGCMKSIDSA-N -1 1 386.460 1.167 20 0 GDADMM CC(C)[C@H]1C[C@H](C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CCO1 ZINC001574088320 948919167 /nfs/dbraw/zinc/91/91/67/948919167.db2.gz AUGPUMWDIATKCN-RGCMKSIDSA-N -1 1 386.460 1.167 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575235503 948920646 /nfs/dbraw/zinc/92/06/46/948920646.db2.gz MZWJPGGAXYATLX-NSHDSACASA-N -1 1 380.403 1.743 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575235503 948920670 /nfs/dbraw/zinc/92/06/70/948920670.db2.gz MZWJPGGAXYATLX-NSHDSACASA-N -1 1 380.403 1.743 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001575235586 948923539 /nfs/dbraw/zinc/92/35/39/948923539.db2.gz PPFBZMAVOIFHLJ-KRWDZBQOSA-N -1 1 392.414 1.521 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001575235586 948923554 /nfs/dbraw/zinc/92/35/54/948923554.db2.gz PPFBZMAVOIFHLJ-KRWDZBQOSA-N -1 1 392.414 1.521 20 0 GDADMM CC(C)c1ncncc1C(=O)N[C@@H](C)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574431844 948928474 /nfs/dbraw/zinc/92/84/74/948928474.db2.gz CRKCUCVOJIJQQN-QWRGUYRKSA-N -1 1 382.432 1.189 20 0 GDADMM CC(C)c1ncncc1C(=O)N[C@@H](C)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574431844 948928485 /nfs/dbraw/zinc/92/84/85/948928485.db2.gz CRKCUCVOJIJQQN-QWRGUYRKSA-N -1 1 382.432 1.189 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1)C(F)F ZINC001573765994 948929762 /nfs/dbraw/zinc/92/97/62/948929762.db2.gz SIEUYQWERRRRDH-MNOVXSKESA-N -1 1 392.414 1.233 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1)C(F)F ZINC001573765994 948929770 /nfs/dbraw/zinc/92/97/70/948929770.db2.gz SIEUYQWERRRRDH-MNOVXSKESA-N -1 1 392.414 1.233 20 0 GDADMM CC(F)(F)CCC(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C(C)(C)C1 ZINC001575235856 948930216 /nfs/dbraw/zinc/93/02/16/948930216.db2.gz RUZQJKOUJHQIMQ-NSHDSACASA-N -1 1 380.403 1.741 20 0 GDADMM CC(F)(F)CCC(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C(C)(C)C1 ZINC001575235856 948930227 /nfs/dbraw/zinc/93/02/27/948930227.db2.gz RUZQJKOUJHQIMQ-NSHDSACASA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573771044 948933986 /nfs/dbraw/zinc/93/39/86/948933986.db2.gz AGFUQIDZWYPSHY-TZMCWYRMSA-N -1 1 384.488 1.602 20 0 GDADMM CC(C)(C(=O)NC1CC2(C1)CC(Nc1ccnc(-c3nn[n-]n3)n1)C2)C1CC1 ZINC001573771878 948946742 /nfs/dbraw/zinc/94/67/42/948946742.db2.gz NGLUHCASHNQUMR-UHFFFAOYSA-N -1 1 382.472 1.354 20 0 GDADMM CC(C)(C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)C(F)(F)F ZINC001573772290 948954698 /nfs/dbraw/zinc/95/46/98/948954698.db2.gz SXFKQWBLHJJWTJ-JTQLQIEISA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)(C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)C(F)(F)F ZINC001573772290 948954702 /nfs/dbraw/zinc/95/47/02/948954702.db2.gz SXFKQWBLHJJWTJ-JTQLQIEISA-N -1 1 384.366 1.552 20 0 GDADMM CC(F)(F)CCC(=O)NCC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575238954 948957247 /nfs/dbraw/zinc/95/72/47/948957247.db2.gz OLCXBOIRLFUMAK-LLVKDONJSA-N -1 1 380.403 1.425 20 0 GDADMM CC(F)(F)CCC(=O)NCC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575238954 948957254 /nfs/dbraw/zinc/95/72/54/948957254.db2.gz OLCXBOIRLFUMAK-LLVKDONJSA-N -1 1 380.403 1.425 20 0 GDADMM CC(C)(C(=O)N[C@@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C12CCC2)C(F)F ZINC001573772879 948971697 /nfs/dbraw/zinc/97/16/97/948971697.db2.gz XOSOTCKLHABFFI-WDEREUQCSA-N -1 1 392.414 1.787 20 0 GDADMM CC(C)(C(=O)N[C@@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C12CCC2)C(F)F ZINC001573772879 948971710 /nfs/dbraw/zinc/97/17/10/948971710.db2.gz XOSOTCKLHABFFI-WDEREUQCSA-N -1 1 392.414 1.787 20 0 GDADMM CC(C)[C@@H]1C[C@@H](CC(=O)NCCN(C)c2cnc(-c3nnn[n-]3)cn2)CCO1 ZINC001574090044 948977027 /nfs/dbraw/zinc/97/70/27/948977027.db2.gz HMNVQMWELXVDNZ-ZFWWWQNUSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)[C@@H]1C[C@@H](CC(=O)NCCN(C)c2cnc(-c3nn[n-]n3)cn2)CCO1 ZINC001574090044 948977043 /nfs/dbraw/zinc/97/70/43/948977043.db2.gz HMNVQMWELXVDNZ-ZFWWWQNUSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1)C(F)F ZINC001573773354 948982962 /nfs/dbraw/zinc/98/29/62/948982962.db2.gz LPBRCHSIEZMNHX-ZCFIWIBFSA-N -1 1 391.835 1.963 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1)C(F)F ZINC001573773354 948982972 /nfs/dbraw/zinc/98/29/72/948982972.db2.gz LPBRCHSIEZMNHX-ZCFIWIBFSA-N -1 1 391.835 1.963 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1COc2ccccc21 ZINC001574691459 949026629 /nfs/dbraw/zinc/02/66/29/949026629.db2.gz XWXSJEJLCDXOBZ-YPMHNXCESA-N -1 1 380.412 1.140 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1COc2ccccc21 ZINC001574691459 949026644 /nfs/dbraw/zinc/02/66/44/949026644.db2.gz XWXSJEJLCDXOBZ-YPMHNXCESA-N -1 1 380.412 1.140 20 0 GDADMM C[C@@H](CN(C)C(=O)C(C)(C)C1CCOCC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574692665 949034992 /nfs/dbraw/zinc/03/49/92/949034992.db2.gz AGJJWMXROUWSKB-LBPRGKRZSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@@H](CN(C)C(=O)C(C)(C)C1CCOCC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574692665 949035009 /nfs/dbraw/zinc/03/50/09/949035009.db2.gz AGJJWMXROUWSKB-LBPRGKRZSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)c1nnsc1C(=O)NCC[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574440873 949045382 /nfs/dbraw/zinc/04/53/82/949045382.db2.gz XLCWNNZPOOVFDE-VIFPVBQESA-N -1 1 388.461 1.252 20 0 GDADMM CC(C)c1nnsc1C(=O)NCC[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574440873 949045403 /nfs/dbraw/zinc/04/54/03/949045403.db2.gz XLCWNNZPOOVFDE-VIFPVBQESA-N -1 1 388.461 1.252 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1coc(CC2CC2)n1 ZINC001574693184 949050040 /nfs/dbraw/zinc/05/00/40/949050040.db2.gz BQCYNIKUZPSYPK-SNVBAGLBSA-N -1 1 383.416 1.218 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1coc(CC2CC2)n1 ZINC001574693184 949050060 /nfs/dbraw/zinc/05/00/60/949050060.db2.gz BQCYNIKUZPSYPK-SNVBAGLBSA-N -1 1 383.416 1.218 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1coc(CC2CC2)n1 ZINC001574693183 949052708 /nfs/dbraw/zinc/05/27/08/949052708.db2.gz BQCYNIKUZPSYPK-JTQLQIEISA-N -1 1 383.416 1.218 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1coc(CC2CC2)n1 ZINC001574693183 949052729 /nfs/dbraw/zinc/05/27/29/949052729.db2.gz BQCYNIKUZPSYPK-JTQLQIEISA-N -1 1 383.416 1.218 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001573779022 949053083 /nfs/dbraw/zinc/05/30/83/949053083.db2.gz CNQZKCIICSYPAF-VIFPVBQESA-N -1 1 384.366 1.188 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573779022 949053102 /nfs/dbraw/zinc/05/31/02/949053102.db2.gz CNQZKCIICSYPAF-VIFPVBQESA-N -1 1 384.366 1.188 20 0 GDADMM CC(C)(C(=O)NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001573779438 949057642 /nfs/dbraw/zinc/05/76/42/949057642.db2.gz HWKCNFCOAMPFPE-UHFFFAOYSA-N -1 1 392.467 1.941 20 0 GDADMM CC(C)(C(=O)NCC1CC(Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001573779438 949057664 /nfs/dbraw/zinc/05/76/64/949057664.db2.gz HWKCNFCOAMPFPE-UHFFFAOYSA-N -1 1 392.467 1.941 20 0 GDADMM C[C@@H](CN(C)C(=O)C(C)(C)CC(F)(F)F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574694095 949068901 /nfs/dbraw/zinc/06/89/01/949068901.db2.gz KUERTFOXDIJFMA-VIFPVBQESA-N -1 1 386.382 1.316 20 0 GDADMM CC(C)[C@]1(C)C[C@H]1C(=O)NCC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001574092947 949086727 /nfs/dbraw/zinc/08/67/27/949086727.db2.gz UPTXPWUZXDPURS-LIRRHRJNSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)[C@]1(C)C[C@H]1C(=O)NCC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001574092947 949086744 /nfs/dbraw/zinc/08/67/44/949086744.db2.gz UPTXPWUZXDPURS-LIRRHRJNSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)c1nocc1C(=O)NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574442169 949090227 /nfs/dbraw/zinc/09/02/27/949090227.db2.gz KYODYDUVOWSLON-UHFFFAOYSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1nocc1C(=O)NCC1CC(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574442169 949090246 /nfs/dbraw/zinc/09/02/46/949090246.db2.gz KYODYDUVOWSLON-UHFFFAOYSA-N -1 1 383.416 1.389 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)Cn1cccn1 ZINC001574695120 949100534 /nfs/dbraw/zinc/10/05/34/949100534.db2.gz ZOKHRZVZJQMMSQ-MRVPVSSYSA-N -1 1 381.853 1.180 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)Cn1cccn1 ZINC001574695120 949100548 /nfs/dbraw/zinc/10/05/48/949100548.db2.gz ZOKHRZVZJQMMSQ-MRVPVSSYSA-N -1 1 381.853 1.180 20 0 GDADMM CC(C)[C@]1(C)C[C@H]1C(=O)NC1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574093436 949108032 /nfs/dbraw/zinc/10/80/32/949108032.db2.gz YAKXBHHAPSFMKP-DJJJIMSYSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)[C@]1(C)C[C@H]1C(=O)NC1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574093436 949108042 /nfs/dbraw/zinc/10/80/42/949108042.db2.gz YAKXBHHAPSFMKP-DJJJIMSYSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1)C1CC1 ZINC001573782041 949115359 /nfs/dbraw/zinc/11/53/59/949115359.db2.gz PFMZBPGXLKHTKB-ZDUSSCGKSA-N -1 1 390.513 1.681 20 0 GDADMM CC(C)(C(=O)NCCC1(CNc2ccnc(-c3nn[n-]n3)n2)CC1)C(F)F ZINC001573782721 949126671 /nfs/dbraw/zinc/12/66/71/949126671.db2.gz WDNZZJPIPSSHFP-UHFFFAOYSA-N -1 1 380.403 1.068 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCOCC1 ZINC001574094244 949130793 /nfs/dbraw/zinc/13/07/93/949130793.db2.gz YHXQJTOLGVKAJI-CHWSQXEVSA-N -1 1 386.460 1.026 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCOCC1 ZINC001574094244 949130806 /nfs/dbraw/zinc/13/08/06/949130806.db2.gz YHXQJTOLGVKAJI-CHWSQXEVSA-N -1 1 386.460 1.026 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cc2n(c1)CCCC2 ZINC001574696433 949134836 /nfs/dbraw/zinc/13/48/36/949134836.db2.gz QMANWDKHBPCDHS-LBPRGKRZSA-N -1 1 381.444 1.415 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cc2n(c1)CCCC2 ZINC001574696433 949134851 /nfs/dbraw/zinc/13/48/51/949134851.db2.gz QMANWDKHBPCDHS-LBPRGKRZSA-N -1 1 381.444 1.415 20 0 GDADMM CC(C)c1ocnc1C(=O)N(C)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574446841 949140284 /nfs/dbraw/zinc/14/02/84/949140284.db2.gz YBFUYQMSCGGONO-LLVKDONJSA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1ocnc1C(=O)N(C)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574446841 949140292 /nfs/dbraw/zinc/14/02/92/949140292.db2.gz YBFUYQMSCGGONO-LLVKDONJSA-N -1 1 383.416 1.119 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)[C@@H]1CCCCO1 ZINC001574696846 949141923 /nfs/dbraw/zinc/14/19/23/949141923.db2.gz VQTWQJDTNSHIEM-IUCAKERBSA-N -1 1 385.881 1.852 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@@H]1CCCCO1 ZINC001574696846 949141941 /nfs/dbraw/zinc/14/19/41/949141941.db2.gz VQTWQJDTNSHIEM-IUCAKERBSA-N -1 1 385.881 1.852 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H](C)Cc1ccccc1 ZINC001574696872 949147541 /nfs/dbraw/zinc/14/75/41/949147541.db2.gz WJDAEYYARAHWKT-UONOGXRCSA-N -1 1 380.456 1.842 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H](C)Cc1ccccc1 ZINC001574696872 949147557 /nfs/dbraw/zinc/14/75/57/949147557.db2.gz WJDAEYYARAHWKT-UONOGXRCSA-N -1 1 380.456 1.842 20 0 GDADMM CC(C)[C@H]1C[C@H](C(=O)NCC2(Nc3cncc(-c4nnn[n-]4)n3)CC2)CCO1 ZINC001574095799 949152881 /nfs/dbraw/zinc/15/28/81/949152881.db2.gz ZCYOGHVKNHBYER-TZMCWYRMSA-N -1 1 386.460 1.169 20 0 GDADMM CC(C)[C@H]1C[C@H](C(=O)NCC2(Nc3cncc(-c4nn[n-]n4)n3)CC2)CCO1 ZINC001574095799 949152887 /nfs/dbraw/zinc/15/28/87/949152887.db2.gz ZCYOGHVKNHBYER-TZMCWYRMSA-N -1 1 386.460 1.169 20 0 GDADMM CC(C)c1oncc1C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574447996 949174716 /nfs/dbraw/zinc/17/47/16/949174716.db2.gz AXDPSYCZCOYRAY-NSHDSACASA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1oncc1C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574447996 949174728 /nfs/dbraw/zinc/17/47/28/949174728.db2.gz AXDPSYCZCOYRAY-NSHDSACASA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1oncc1C(=O)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001574448017 949175281 /nfs/dbraw/zinc/17/52/81/949175281.db2.gz BRHBNLXSYZOVNG-LLVKDONJSA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1oncc1C(=O)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001574448017 949175301 /nfs/dbraw/zinc/17/53/01/949175301.db2.gz BRHBNLXSYZOVNG-LLVKDONJSA-N -1 1 383.416 1.485 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H](F)Cc1ccccc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574698172 949177656 /nfs/dbraw/zinc/17/76/56/949177656.db2.gz GXFZRNAXCOEBDJ-TZMCWYRMSA-N -1 1 384.419 1.496 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H](F)Cc1ccccc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574698172 949177675 /nfs/dbraw/zinc/17/76/75/949177675.db2.gz GXFZRNAXCOEBDJ-TZMCWYRMSA-N -1 1 384.419 1.496 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H](C)c1ccccc1F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574698279 949184024 /nfs/dbraw/zinc/18/40/24/949184024.db2.gz IQEUMJIGOBKYJM-RYUDHWBXSA-N -1 1 384.419 1.280 20 0 GDADMM C[C@@H](CNC(=O)COc1ccccc1F)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574934960 949186176 /nfs/dbraw/zinc/18/61/76/949186176.db2.gz WAXHRFVNXAKQHI-LLVKDONJSA-N -1 1 386.391 1.039 20 0 GDADMM C[C@@H](CNC(=O)COc1ccccc1F)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574934960 949186190 /nfs/dbraw/zinc/18/61/90/949186190.db2.gz WAXHRFVNXAKQHI-LLVKDONJSA-N -1 1 386.391 1.039 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(F)cc1F)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574936832 949220250 /nfs/dbraw/zinc/22/02/50/949220250.db2.gz LJLNMMLPCPPLHX-JTQLQIEISA-N -1 1 388.382 1.342 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(F)cc1F)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574936832 949220266 /nfs/dbraw/zinc/22/02/66/949220266.db2.gz LJLNMMLPCPPLHX-JTQLQIEISA-N -1 1 388.382 1.342 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001574451238 949222089 /nfs/dbraw/zinc/22/20/89/949222089.db2.gz HXQJANDNKZOZOK-ZDUSSCGKSA-N -1 1 385.432 1.635 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001574451238 949222106 /nfs/dbraw/zinc/22/21/06/949222106.db2.gz HXQJANDNKZOZOK-ZDUSSCGKSA-N -1 1 385.432 1.635 20 0 GDADMM CC1(Nc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)[C@H]2CCC(F)(F)C2)CC1 ZINC001575854026 949223930 /nfs/dbraw/zinc/22/39/30/949223930.db2.gz YRIKGXZDWPMRLX-NSHDSACASA-N -1 1 392.414 1.885 20 0 GDADMM CC1(Nc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)[C@H]2CCC(F)(F)C2)CC1 ZINC001575854026 949223944 /nfs/dbraw/zinc/22/39/44/949223944.db2.gz YRIKGXZDWPMRLX-NSHDSACASA-N -1 1 392.414 1.885 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001574451196 949224307 /nfs/dbraw/zinc/22/43/07/949224307.db2.gz GQUDEHZBKPZMON-LBPRGKRZSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001574451196 949224325 /nfs/dbraw/zinc/22/43/25/949224325.db2.gz GQUDEHZBKPZMON-LBPRGKRZSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1scnc1C(=O)N(C)[C@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574451342 949226417 /nfs/dbraw/zinc/22/64/17/949226417.db2.gz MZRIYRSHOUBEFD-SNVBAGLBSA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)c1scnc1C(=O)N(C)[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574451342 949226434 /nfs/dbraw/zinc/22/64/34/949226434.db2.gz MZRIYRSHOUBEFD-SNVBAGLBSA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)CC(=O)N1CCC([C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001574103138 949227600 /nfs/dbraw/zinc/22/76/00/949227600.db2.gz LJSVDFPYSBMWRV-HNNXBMFYSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)CC(=O)N1CCC([C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001574103138 949227620 /nfs/dbraw/zinc/22/76/20/949227620.db2.gz LJSVDFPYSBMWRV-HNNXBMFYSA-N -1 1 384.488 1.768 20 0 GDADMM CC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)[C@@H]2CC23CCCC3)CC1 ZINC001575854421 949233533 /nfs/dbraw/zinc/23/35/33/949233533.db2.gz WGQNVLJSADZKSR-ZDUSSCGKSA-N -1 1 382.472 1.452 20 0 GDADMM C[C@H](CNC(=O)Cc1cc(F)ccc1F)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574938492 949247318 /nfs/dbraw/zinc/24/73/18/949247318.db2.gz WYJOZZBQZIXOSL-SNVBAGLBSA-N -1 1 388.382 1.119 20 0 GDADMM C[C@H](CNC(=O)Cc1cc(F)ccc1F)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574938492 949247339 /nfs/dbraw/zinc/24/73/39/949247339.db2.gz WYJOZZBQZIXOSL-SNVBAGLBSA-N -1 1 388.382 1.119 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(C2CC2)c1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574940243 949258619 /nfs/dbraw/zinc/25/86/19/949258619.db2.gz CKMJADRDQFNYNR-ZDUSSCGKSA-N -1 1 392.467 1.718 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(C2CC2)c1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574940243 949258639 /nfs/dbraw/zinc/25/86/39/949258639.db2.gz CKMJADRDQFNYNR-ZDUSSCGKSA-N -1 1 392.467 1.718 20 0 GDADMM CC(C)CC(=O)N1CCCC[C@@H]1[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574106062 949264173 /nfs/dbraw/zinc/26/41/73/949264173.db2.gz CZTGYGCMXNODKZ-GDBMZVCRSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CC(=O)N1CCCC[C@@H]1[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574106062 949264193 /nfs/dbraw/zinc/26/41/93/949264193.db2.gz CZTGYGCMXNODKZ-GDBMZVCRSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccccc1Cl)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574940388 949264880 /nfs/dbraw/zinc/26/48/80/949264880.db2.gz DRNJGEYDNCACFX-LLVKDONJSA-N -1 1 386.847 1.717 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccccc1Cl)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574940388 949264903 /nfs/dbraw/zinc/26/49/03/949264903.db2.gz DRNJGEYDNCACFX-LLVKDONJSA-N -1 1 386.847 1.717 20 0 GDADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)[C@@H]2CCC(F)(F)C2)CC1 ZINC001575857558 949269437 /nfs/dbraw/zinc/26/94/37/949269437.db2.gz SSBJEFZVNBQJBZ-LLVKDONJSA-N -1 1 392.414 1.885 20 0 GDADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)[C@@H]2CCC(F)(F)C2)CC1 ZINC001575857558 949269459 /nfs/dbraw/zinc/26/94/59/949269459.db2.gz SSBJEFZVNBQJBZ-LLVKDONJSA-N -1 1 392.414 1.885 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(F)c1F)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574940657 949272590 /nfs/dbraw/zinc/27/25/90/949272590.db2.gz IFOAWAPSRJMDGR-SNVBAGLBSA-N -1 1 388.382 1.119 20 0 GDADMM C[C@H](CN(C)C(=O)C1(C(F)(F)F)CCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574702068 949275989 /nfs/dbraw/zinc/27/59/89/949275989.db2.gz FZFIEJPCZILCSP-SECBINFHSA-N -1 1 384.366 1.070 20 0 GDADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)CC2CCOCC2)CC1 ZINC001575858056 949279903 /nfs/dbraw/zinc/27/99/03/949279903.db2.gz ZPYMZPCICVEMLH-UHFFFAOYSA-N -1 1 386.460 1.266 20 0 GDADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)CC2CCOCC2)CC1 ZINC001575858056 949279923 /nfs/dbraw/zinc/27/99/23/949279923.db2.gz ZPYMZPCICVEMLH-UHFFFAOYSA-N -1 1 386.460 1.266 20 0 GDADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)c2ccc(F)s2)CC1 ZINC001575858044 949282157 /nfs/dbraw/zinc/28/21/57/949282157.db2.gz ZBCDVJZFQBHCES-UHFFFAOYSA-N -1 1 388.432 1.964 20 0 GDADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)c2ccc(F)s2)CC1 ZINC001575858044 949282177 /nfs/dbraw/zinc/28/21/77/949282177.db2.gz ZBCDVJZFQBHCES-UHFFFAOYSA-N -1 1 388.432 1.964 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccnc1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574940987 949284912 /nfs/dbraw/zinc/28/49/12/949284912.db2.gz NPXLMQUAVCEJBF-VIFPVBQESA-N -1 1 392.876 1.555 20 0 GDADMM CC(C)n1cc(C(=O)N(C)CCCN(C)c2cnc(-c3nnn[n-]3)cn2)cn1 ZINC001574453183 949285240 /nfs/dbraw/zinc/28/52/40/949285240.db2.gz YRHLPAKFIBXKOG-UHFFFAOYSA-N -1 1 384.448 1.033 20 0 GDADMM CC(C)n1cc(C(=O)N(C)CCCN(C)c2cnc(-c3nn[n-]n3)cn2)cn1 ZINC001574453183 949285262 /nfs/dbraw/zinc/28/52/62/949285262.db2.gz YRHLPAKFIBXKOG-UHFFFAOYSA-N -1 1 384.448 1.033 20 0 GDADMM C[C@H](NC(=O)C1CC(F)(F)C1)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575258320 949297077 /nfs/dbraw/zinc/29/70/77/949297077.db2.gz GUCZVTLLZPDPQR-WDEREUQCSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@H](NC(=O)C1CC(F)(F)C1)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575258320 949297093 /nfs/dbraw/zinc/29/70/93/949297093.db2.gz GUCZVTLLZPDPQR-WDEREUQCSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@@H](NC(=O)C1CC(C)(C)C1)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575258492 949301880 /nfs/dbraw/zinc/30/18/80/949301880.db2.gz IFFULXZRFFFEBB-CHWSQXEVSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](NC(=O)C1CC(C)(C)C1)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575258492 949301902 /nfs/dbraw/zinc/30/19/02/949301902.db2.gz IFFULXZRFFFEBB-CHWSQXEVSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cocn1 ZINC001576154101 949314774 /nfs/dbraw/zinc/31/47/74/949314774.db2.gz BZXLAIPCWXOMFC-APPDUMDISA-N -1 1 383.416 1.436 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cocn1 ZINC001576154101 949314791 /nfs/dbraw/zinc/31/47/91/949314791.db2.gz BZXLAIPCWXOMFC-APPDUMDISA-N -1 1 383.416 1.436 20 0 GDADMM CC(C)n1ccc(C(=O)N2CC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001574457145 949318608 /nfs/dbraw/zinc/31/86/08/949318608.db2.gz ANRQUTDOPUNYKQ-LBPRGKRZSA-N -1 1 382.432 1.008 20 0 GDADMM CC(C)n1ccc(C(=O)N2CC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001574457145 949318627 /nfs/dbraw/zinc/31/86/27/949318627.db2.gz ANRQUTDOPUNYKQ-LBPRGKRZSA-N -1 1 382.432 1.008 20 0 GDADMM C[C@H](NC(=O)C1=COCCC1)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575259211 949325395 /nfs/dbraw/zinc/32/53/95/949325395.db2.gz NUNRILAPDIXWIB-STQMWFEESA-N -1 1 384.444 1.072 20 0 GDADMM C[C@H](NC(=O)C1=COCCC1)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575259211 949325416 /nfs/dbraw/zinc/32/54/16/949325416.db2.gz NUNRILAPDIXWIB-STQMWFEESA-N -1 1 384.444 1.072 20 0 GDADMM C[C@H](CNC(=O)Cc1ccon1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574942069 949334010 /nfs/dbraw/zinc/33/40/10/949334010.db2.gz JWSORZLGKAYHRC-SSDOTTSWSA-N -1 1 382.837 1.372 20 0 GDADMM CC(C)n1ccc(C(=O)N2CCC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001574458186 949336854 /nfs/dbraw/zinc/33/68/54/949336854.db2.gz QIPKTDYAKQRHHG-LBPRGKRZSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1ccc(C(=O)N2CCC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001574458186 949336878 /nfs/dbraw/zinc/33/68/78/949336878.db2.gz QIPKTDYAKQRHHG-LBPRGKRZSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1ccc(C(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)s3)CC2)n1 ZINC001574458555 949340166 /nfs/dbraw/zinc/34/01/66/949340166.db2.gz SWJSDWNQNPABIK-UHFFFAOYSA-N -1 1 386.485 1.664 20 0 GDADMM CC1(C(=O)N(CCO)CCNc2nc(Cl)c(-c3nnn[n-]3)s2)CCC1 ZINC001575525510 949343119 /nfs/dbraw/zinc/34/31/19/949343119.db2.gz OYNBVMCMYHODRO-UHFFFAOYSA-N -1 1 385.881 1.400 20 0 GDADMM CC1(C(=O)N(CCO)CCNc2nc(Cl)c(-c3nn[n-]n3)s2)CCC1 ZINC001575525510 949343142 /nfs/dbraw/zinc/34/31/42/949343142.db2.gz OYNBVMCMYHODRO-UHFFFAOYSA-N -1 1 385.881 1.400 20 0 GDADMM CC(C)n1ccc(C(=O)N2CCC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)n1 ZINC001574458836 949352058 /nfs/dbraw/zinc/35/20/58/949352058.db2.gz ZTWWPOOYJFLMHL-GFCCVEGCSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1ccc(C(=O)N2CCC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)n1 ZINC001574458836 949352065 /nfs/dbraw/zinc/35/20/65/949352065.db2.gz ZTWWPOOYJFLMHL-GFCCVEGCSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@H](CN(C)C(=O)C1=CCOCC1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574703901 949355330 /nfs/dbraw/zinc/35/53/30/949355330.db2.gz HHCOIZDIBUKCKK-MRVPVSSYSA-N -1 1 383.865 1.582 20 0 GDADMM C[C@H](CN(C)C(=O)C1=CCOCC1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574703901 949355351 /nfs/dbraw/zinc/35/53/51/949355351.db2.gz HHCOIZDIBUKCKK-MRVPVSSYSA-N -1 1 383.865 1.582 20 0 GDADMM CC(C)CC(=O)N[C@@H]1[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)[C@H]2C1(C)C ZINC001574110699 949365532 /nfs/dbraw/zinc/36/55/32/949365532.db2.gz ALWQLGNDTCWCMM-CSMYWGQOSA-N -1 1 384.488 1.812 20 0 GDADMM CC(C)CC(=O)N[C@@H]1[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)[C@H]2C1(C)C ZINC001574110699 949365553 /nfs/dbraw/zinc/36/55/53/949365553.db2.gz ALWQLGNDTCWCMM-CSMYWGQOSA-N -1 1 384.488 1.812 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2(C)CC(F)(F)C2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575865398 949373699 /nfs/dbraw/zinc/37/36/99/949373699.db2.gz AJMMXFUKUYRJMZ-GHMZBOCLSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2(C)CC(F)(F)C2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575865398 949373716 /nfs/dbraw/zinc/37/37/16/949373716.db2.gz AJMMXFUKUYRJMZ-GHMZBOCLSA-N -1 1 392.414 1.566 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574463806 949382065 /nfs/dbraw/zinc/38/20/65/949382065.db2.gz BILMROXPGJYECT-JOCQHMNTSA-N -1 1 381.444 1.660 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574463806 949382082 /nfs/dbraw/zinc/38/20/82/949382082.db2.gz BILMROXPGJYECT-JOCQHMNTSA-N -1 1 381.444 1.660 20 0 GDADMM C[C@H]1CCC[C@H]1CC(=O)N1CCC(N(C)c2nccnc2-c2nnn[n-]2)CC1 ZINC001576155140 949383723 /nfs/dbraw/zinc/38/37/23/949383723.db2.gz GROKFZFMBUKXKA-KBPBESRZSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CCC[C@H]1CC(=O)N1CCC(N(C)c2nccnc2-c2nn[n-]n2)CC1 ZINC001576155140 949383751 /nfs/dbraw/zinc/38/37/51/949383751.db2.gz GROKFZFMBUKXKA-KBPBESRZSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CC(=O)N[C@@H]1[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)[C@H]2C1(C)C ZINC001574112596 949386988 /nfs/dbraw/zinc/38/69/88/949386988.db2.gz LGLJHTVBAZMYBG-APHBMKBZSA-N -1 1 384.488 1.812 20 0 GDADMM CC(C)n1cnc(C(=O)N2CCC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001574463913 949392777 /nfs/dbraw/zinc/39/27/77/949392777.db2.gz BBZXBWRYGMXLQN-GFCCVEGCSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1cnc(C(=O)N2CCC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001574463913 949392803 /nfs/dbraw/zinc/39/28/03/949392803.db2.gz BBZXBWRYGMXLQN-GFCCVEGCSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cc[nH]c1 ZINC001576155305 949396688 /nfs/dbraw/zinc/39/66/88/949396688.db2.gz HVSFSWIIUYKZBD-XIKOKIGWSA-N -1 1 381.444 1.776 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cc[nH]c1 ZINC001576155305 949396704 /nfs/dbraw/zinc/39/67/04/949396704.db2.gz HVSFSWIIUYKZBD-XIKOKIGWSA-N -1 1 381.444 1.776 20 0 GDADMM CC(C)n1cccc1C(=O)NC1CC(CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574464253 949402421 /nfs/dbraw/zinc/40/24/21/949402421.db2.gz HRJIJOHWUGMQGO-UHFFFAOYSA-N -1 1 381.444 1.660 20 0 GDADMM CC(C)n1cccc1C(=O)NC1CC(CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574464253 949402433 /nfs/dbraw/zinc/40/24/33/949402433.db2.gz HRJIJOHWUGMQGO-UHFFFAOYSA-N -1 1 381.444 1.660 20 0 GDADMM C[C@@H]1C(=O)Nc2ccccc2CN1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001575866302 949403116 /nfs/dbraw/zinc/40/31/16/949403116.db2.gz RGXBSHGSIOPWSJ-SNVBAGLBSA-N -1 1 383.437 1.981 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1ccon1 ZINC001576156308 949440990 /nfs/dbraw/zinc/44/09/90/949440990.db2.gz MLOUMDPJCMVQIV-APPDUMDISA-N -1 1 383.416 1.436 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ccon1 ZINC001576156308 949440997 /nfs/dbraw/zinc/44/09/97/949440997.db2.gz MLOUMDPJCMVQIV-APPDUMDISA-N -1 1 383.416 1.436 20 0 GDADMM CC(C)n1cccc1C(=O)NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001574465712 949441614 /nfs/dbraw/zinc/44/16/14/949441614.db2.gz WYIJCACJRPNACD-UHFFFAOYSA-N -1 1 381.444 1.438 20 0 GDADMM CC1(C(=O)N2CCC(CNc3ccnc(-c4nn[n-]n4)n3)CC2)CCCCC1 ZINC001575535496 949449973 /nfs/dbraw/zinc/44/99/73/949449973.db2.gz XPIVZIUAZUZCQW-UHFFFAOYSA-N -1 1 384.488 1.700 20 0 GDADMM C[C@H]1CCC[C@@]1(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001576156667 949455722 /nfs/dbraw/zinc/45/57/22/949455722.db2.gz ZAAHZLNTHNPDBP-WZFJYNIESA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](NC(=O)CC(C)(C)C(F)(F)F)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575265822 949457494 /nfs/dbraw/zinc/45/74/94/949457494.db2.gz VSDYIPNSVOMNHU-IUCAKERBSA-N -1 1 386.382 1.940 20 0 GDADMM C[C@H](NC(=O)CC(C)(C)C(F)(F)F)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575265822 949457504 /nfs/dbraw/zinc/45/75/04/949457504.db2.gz VSDYIPNSVOMNHU-IUCAKERBSA-N -1 1 386.382 1.940 20 0 GDADMM CC1(C(=O)N2CCC3(CCN(c4cncc(-c5nnn[n-]5)n4)C3)CC2)CCC1 ZINC001575536042 949462119 /nfs/dbraw/zinc/46/21/19/949462119.db2.gz DGNOALSRHVKBTK-UHFFFAOYSA-N -1 1 382.472 1.666 20 0 GDADMM CC1(C(=O)N2CCC3(CCN(c4cncc(-c5nn[n-]n5)n4)C3)CC2)CCC1 ZINC001575536042 949462135 /nfs/dbraw/zinc/46/21/35/949462135.db2.gz DGNOALSRHVKBTK-UHFFFAOYSA-N -1 1 382.472 1.666 20 0 GDADMM C[C@@H]1CCC[C@H]1CC(=O)NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576157334 949481739 /nfs/dbraw/zinc/48/17/39/949481739.db2.gz PTXCQWIXONRMRV-HIFRSBDPSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](NC(=O)CCC1(C)CC1)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575266982 949495312 /nfs/dbraw/zinc/49/53/12/949495312.db2.gz GELAPCKMUZXKEY-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](NC(=O)CCC1(C)CC1)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575266982 949495336 /nfs/dbraw/zinc/49/53/36/949495336.db2.gz GELAPCKMUZXKEY-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](NC(=O)CC1CCCC1)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575267653 949501839 /nfs/dbraw/zinc/50/18/39/949501839.db2.gz JEIMHPQMKITDAV-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](NC(=O)CC1CCCC1)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575267653 949501849 /nfs/dbraw/zinc/50/18/49/949501849.db2.gz JEIMHPQMKITDAV-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C(=O)N2CCC3(C2)CCN(c2cnc(-c4nnn[n-]4)cn2)CC3)CCC1 ZINC001575538467 949521088 /nfs/dbraw/zinc/52/10/88/949521088.db2.gz HFKQMMOLPFOBFM-UHFFFAOYSA-N -1 1 382.472 1.666 20 0 GDADMM CC1(C(=O)N2CCC3(C2)CCN(c2cnc(-c4nn[n-]n4)cn2)CC3)CCC1 ZINC001575538467 949521105 /nfs/dbraw/zinc/52/11/05/949521105.db2.gz HFKQMMOLPFOBFM-UHFFFAOYSA-N -1 1 382.472 1.666 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1COc2ccccc21)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574711477 949540431 /nfs/dbraw/zinc/54/04/31/949540431.db2.gz HQTRKIQBYCBIIJ-YPMHNXCESA-N -1 1 380.412 1.092 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1COc2ccccc21)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574711477 949540445 /nfs/dbraw/zinc/54/04/45/949540445.db2.gz HQTRKIQBYCBIIJ-YPMHNXCESA-N -1 1 380.412 1.092 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1COc2ccccc21)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574711476 949541899 /nfs/dbraw/zinc/54/18/99/949541899.db2.gz HQTRKIQBYCBIIJ-WCQYABFASA-N -1 1 380.412 1.092 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1COc2ccccc21)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574711476 949541907 /nfs/dbraw/zinc/54/19/07/949541907.db2.gz HQTRKIQBYCBIIJ-WCQYABFASA-N -1 1 380.412 1.092 20 0 GDADMM C[C@H]1CCCN(C(=O)C2(CCF)CC2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576164569 949560941 /nfs/dbraw/zinc/56/09/41/949560941.db2.gz HLOTYUADSDCSEL-GXTWGEPZSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@H]1CCCN(C(=O)C2(CCF)CC2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576164569 949560954 /nfs/dbraw/zinc/56/09/54/949560954.db2.gz HLOTYUADSDCSEL-GXTWGEPZSA-N -1 1 388.451 1.836 20 0 GDADMM CC(C)C[C@H](C(=O)NC[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1)n1ccnc1 ZINC001574124119 949564930 /nfs/dbraw/zinc/56/49/30/949564930.db2.gz CEAUQQKLPQOCRW-TZMCWYRMSA-N -1 1 384.448 1.057 20 0 GDADMM CC1(C(=O)N2CC[C@@]3(CCN(c4cnc(-c5nnn[n-]5)cn4)C3)C2)CCCC1 ZINC001575540560 949569585 /nfs/dbraw/zinc/56/95/85/949569585.db2.gz XVGDOVXLXBWHFK-LJQANCHMSA-N -1 1 382.472 1.666 20 0 GDADMM CC1(C(=O)N2CC[C@@]3(CCN(c4cnc(-c5nn[n-]n5)cn4)C3)C2)CCCC1 ZINC001575540560 949569599 /nfs/dbraw/zinc/56/95/99/949569599.db2.gz XVGDOVXLXBWHFK-LJQANCHMSA-N -1 1 382.472 1.666 20 0 GDADMM C[C@H](CN(C)C(=O)CC(C)(C)CC(F)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574712191 949571671 /nfs/dbraw/zinc/57/16/71/949571671.db2.gz QCYSZPIGLWNFSY-SNVBAGLBSA-N -1 1 382.419 1.987 20 0 GDADMM C[C@H](CN(C)C(=O)CC(C)(C)CC(F)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574712191 949571684 /nfs/dbraw/zinc/57/16/84/949571684.db2.gz QCYSZPIGLWNFSY-SNVBAGLBSA-N -1 1 382.419 1.987 20 0 GDADMM CC(C)C[C@@H](C(=O)N(C)CCNc1nccnc1-c1nnn[n-]1)n1ccnc1 ZINC001574124456 949573666 /nfs/dbraw/zinc/57/36/66/949573666.db2.gz IJZIUUYLOHXENF-ZDUSSCGKSA-N -1 1 384.448 1.011 20 0 GDADMM CC(C)C[C@@H](C(=O)N(C)CCNc1nccnc1-c1nn[n-]n1)n1ccnc1 ZINC001574124456 949573683 /nfs/dbraw/zinc/57/36/83/949573683.db2.gz IJZIUUYLOHXENF-ZDUSSCGKSA-N -1 1 384.448 1.011 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574475873 949578158 /nfs/dbraw/zinc/57/81/58/949578158.db2.gz CSYJDZBNWDUKNN-HOCLYGCPSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2C(C)(C)C2(C)C)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575873425 949580723 /nfs/dbraw/zinc/58/07/23/949580723.db2.gz PDDVNFJXFHPBEO-VXGBXAGGSA-N -1 1 384.488 1.812 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2C(C)(C)C2(C)C)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575873425 949580732 /nfs/dbraw/zinc/58/07/32/949580732.db2.gz PDDVNFJXFHPBEO-VXGBXAGGSA-N -1 1 384.488 1.812 20 0 GDADMM C[C@@H]1CCCC[C@@H]1OCC(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001576166503 949584330 /nfs/dbraw/zinc/58/43/30/949584330.db2.gz MPOQAGPYAIOOCT-BHPKHCPMSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H]1CCCC[C@@H]1OCC(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001576166503 949584345 /nfs/dbraw/zinc/58/43/45/949584345.db2.gz MPOQAGPYAIOOCT-BHPKHCPMSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1CCc2ccccc2C1)Nc1nccnc1-c1nnn[n-]1 ZINC001574712757 949588370 /nfs/dbraw/zinc/58/83/70/949588370.db2.gz UFIXRGNQXSDHKC-XJKSGUPXSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1CCc2ccccc2C1)Nc1nccnc1-c1nn[n-]n1 ZINC001574712757 949588389 /nfs/dbraw/zinc/58/83/89/949588389.db2.gz UFIXRGNQXSDHKC-XJKSGUPXSA-N -1 1 392.467 1.721 20 0 GDADMM CC(C)C[C@H](C(=O)NC[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1)n1ccnc1 ZINC001574125832 949589498 /nfs/dbraw/zinc/58/94/98/949589498.db2.gz SXBVQYWDOHYZPS-GXTWGEPZSA-N -1 1 384.448 1.057 20 0 GDADMM CC(C)C[C@@H](C(=O)N[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1)n1ccnc1 ZINC001574125546 949589629 /nfs/dbraw/zinc/58/96/29/949589629.db2.gz SKIRWBGRRGSCGH-JSGCOSHPSA-N -1 1 384.448 1.057 20 0 GDADMM C[C@]1(C(=O)N2CCCCC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)CCOC1 ZINC001575546053 949605028 /nfs/dbraw/zinc/60/50/28/949605028.db2.gz OOZCDCFBKWVAOK-ACJLOTCBSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@]1(C(=O)N2CCCCC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)CCOC1 ZINC001575546053 949605039 /nfs/dbraw/zinc/60/50/39/949605039.db2.gz OOZCDCFBKWVAOK-ACJLOTCBSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@H]1CCCN(C(=O)C2(F)CCCC2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576167581 949614044 /nfs/dbraw/zinc/61/40/44/949614044.db2.gz QZCXTTYSWLIBJM-JSGCOSHPSA-N -1 1 388.451 1.978 20 0 GDADMM C[C@H]1CCCN(C(=O)C2(F)CCCC2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576167581 949614055 /nfs/dbraw/zinc/61/40/55/949614055.db2.gz QZCXTTYSWLIBJM-JSGCOSHPSA-N -1 1 388.451 1.978 20 0 GDADMM C[C@H]1CCCC[C@@H]1CC(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001576167743 949618051 /nfs/dbraw/zinc/61/80/51/949618051.db2.gz FHINLKKRAHHLOB-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCCC[C@@H]1CC(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001576167743 949618067 /nfs/dbraw/zinc/61/80/67/949618067.db2.gz FHINLKKRAHHLOB-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CC(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1)[C@@H]1CCCO1 ZINC001574476777 949619948 /nfs/dbraw/zinc/61/99/48/949619948.db2.gz JUYURYBKSITMMH-DOMZBBRYSA-N -1 1 390.513 1.776 20 0 GDADMM C[C@@H](NC(=O)CCCc1cccnc1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575272386 949642085 /nfs/dbraw/zinc/64/20/85/949642085.db2.gz PWRIDOTZVHMBDS-OLZOCXBDSA-N -1 1 381.444 1.380 20 0 GDADMM C[C@@H](NC(=O)CCCc1cccnc1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575272386 949642103 /nfs/dbraw/zinc/64/21/03/949642103.db2.gz PWRIDOTZVHMBDS-OLZOCXBDSA-N -1 1 381.444 1.380 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2=CCOCC2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576168893 949652691 /nfs/dbraw/zinc/65/26/91/949652691.db2.gz WLKWSQKHBQHRDS-OCCSQVGLSA-N -1 1 384.444 1.042 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2=CCOCC2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576168893 949652701 /nfs/dbraw/zinc/65/27/01/949652701.db2.gz WLKWSQKHBQHRDS-OCCSQVGLSA-N -1 1 384.444 1.042 20 0 GDADMM C[C@@H]1CCCN(C(=O)Cc2ccco2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576169300 949671484 /nfs/dbraw/zinc/67/14/84/949671484.db2.gz GHZHQUPZNICROJ-IUODEOHRSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@@H]1CCCN(C(=O)Cc2ccco2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576169300 949671499 /nfs/dbraw/zinc/67/14/99/949671499.db2.gz GHZHQUPZNICROJ-IUODEOHRSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)CNc1nccnc1-c1nnn[n-]1 ZINC001574958639 949686172 /nfs/dbraw/zinc/68/61/72/949686172.db2.gz LVANVIDPFSWUBB-KWCYVHTRSA-N -1 1 379.428 1.020 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)CNc1nccnc1-c1nn[n-]n1 ZINC001574958639 949686182 /nfs/dbraw/zinc/68/61/82/949686182.db2.gz LVANVIDPFSWUBB-KWCYVHTRSA-N -1 1 379.428 1.020 20 0 GDADMM C[C@H](CNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574958797 949693070 /nfs/dbraw/zinc/69/30/70/949693070.db2.gz WRLFRDWKFRCNAC-RCDCFZSISA-N -1 1 392.467 1.791 20 0 GDADMM CC1(C(=O)N2C[C@@H]3CCC[C@]3(CNc3cnc(-c4nnn[n-]4)cn3)C2)CCC1 ZINC001575554383 949697195 /nfs/dbraw/zinc/69/71/95/949697195.db2.gz SCZJTLXHOOVQPG-DJJJIMSYSA-N -1 1 382.472 1.888 20 0 GDADMM CC1(C(=O)N2C[C@@H]3CCC[C@]3(CNc3cnc(-c4nn[n-]n4)cn3)C2)CCC1 ZINC001575554383 949697209 /nfs/dbraw/zinc/69/72/09/949697209.db2.gz SCZJTLXHOOVQPG-DJJJIMSYSA-N -1 1 382.472 1.888 20 0 GDADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001573817875 949708198 /nfs/dbraw/zinc/70/81/98/949708198.db2.gz CESRLTJNUCGYAJ-MJBXVCDLSA-N -1 1 384.488 1.458 20 0 GDADMM CC1(C(=O)N2C[C@@]3(C)CN(c4nccnc4-c4nnn[n-]4)C[C@@]3(C)C2)CCC1 ZINC001575557234 949712901 /nfs/dbraw/zinc/71/29/01/949712901.db2.gz DVAIXQLDLWCTAL-KDURUIRLSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C(=O)N2C[C@@]3(C)CN(c4nccnc4-c4nn[n-]n4)C[C@@]3(C)C2)CCC1 ZINC001575557234 949712912 /nfs/dbraw/zinc/71/29/12/949712912.db2.gz DVAIXQLDLWCTAL-KDURUIRLSA-N -1 1 382.472 1.522 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001574134732 949730939 /nfs/dbraw/zinc/73/09/39/949730939.db2.gz IWUYIBNKROOLHA-KFWWJZLASA-N -1 1 384.488 1.909 20 0 GDADMM C[C@@]1(C(=O)N[C@H](CNc2nccnc2-c2nnn[n-]2)C2CCCC2)CCOC1 ZINC001575558412 949734638 /nfs/dbraw/zinc/73/46/38/949734638.db2.gz PEQBRDZUFCSFLH-FZKQIMNGSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@]1(C(=O)N[C@H](CNc2nccnc2-c2nn[n-]n2)C2CCCC2)CCOC1 ZINC001575558412 949734658 /nfs/dbraw/zinc/73/46/58/949734658.db2.gz PEQBRDZUFCSFLH-FZKQIMNGSA-N -1 1 386.460 1.170 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C1CC(F)(F)C1 ZINC001573818547 949735753 /nfs/dbraw/zinc/73/57/53/949735753.db2.gz NLMZMYWTCRUEMT-LLVKDONJSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C1CC(F)(F)C1 ZINC001573818547 949735765 /nfs/dbraw/zinc/73/57/65/949735765.db2.gz NLMZMYWTCRUEMT-LLVKDONJSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccccc1 ZINC001574479745 949743428 /nfs/dbraw/zinc/74/34/28/949743428.db2.gz GQTUAKCAAKXQHY-HIFRSBDPSA-N -1 1 378.440 1.863 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccccc1 ZINC001574479745 949743445 /nfs/dbraw/zinc/74/34/45/949743445.db2.gz GQTUAKCAAKXQHY-HIFRSBDPSA-N -1 1 378.440 1.863 20 0 GDADMM C[C@@H](NC(=O)CCc1ccccc1F)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575277506 949748763 /nfs/dbraw/zinc/74/87/63/949748763.db2.gz QOVJCUTXHKJFNX-NEPJUHHUSA-N -1 1 384.419 1.734 20 0 GDADMM C[C@@H](NC(=O)CCc1ccccc1F)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575277506 949748786 /nfs/dbraw/zinc/74/87/86/949748786.db2.gz QOVJCUTXHKJFNX-NEPJUHHUSA-N -1 1 384.419 1.734 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CC[C@H]1CCOC1 ZINC001573821849 949776469 /nfs/dbraw/zinc/77/64/69/949776469.db2.gz DRRCFNSXAFATRY-QWHCGFSZSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CC[C@H]1CCOC1 ZINC001573821849 949776472 /nfs/dbraw/zinc/77/64/72/949776472.db2.gz DRRCFNSXAFATRY-QWHCGFSZSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@H]1CCCN(C(=O)CCCF)[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576172103 949791707 /nfs/dbraw/zinc/79/17/07/949791707.db2.gz UYFIELCQPZNWJW-STQMWFEESA-N -1 1 376.440 1.257 20 0 GDADMM C[C@H]1CCCN(C(=O)CCC2(C)CC2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576172859 949822581 /nfs/dbraw/zinc/82/25/81/949822581.db2.gz YSRAVRTZXBOMPN-KBPBESRZSA-N -1 1 384.488 1.698 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1 ZINC001574139912 949825163 /nfs/dbraw/zinc/82/51/63/949825163.db2.gz LJPTTYWRIMVCHZ-FQLMCAECSA-N -1 1 384.488 1.955 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1 ZINC001574139912 949825177 /nfs/dbraw/zinc/82/51/77/949825177.db2.gz LJPTTYWRIMVCHZ-FQLMCAECSA-N -1 1 384.488 1.955 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ncccc1F ZINC001573823364 949828487 /nfs/dbraw/zinc/82/84/87/949828487.db2.gz VMDJGAUYUBTFKB-LBPRGKRZSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ncccc1F ZINC001573823364 949828512 /nfs/dbraw/zinc/82/85/12/949828512.db2.gz VMDJGAUYUBTFKB-LBPRGKRZSA-N -1 1 385.407 1.447 20 0 GDADMM CC1(C(=O)N[C@H]2CCC[C@H]2CNc2nccnc2-c2nnn[n-]2)CCOCC1 ZINC001575562963 949830434 /nfs/dbraw/zinc/83/04/34/949830434.db2.gz IVLINMYWIBWHEL-STQMWFEESA-N -1 1 386.460 1.170 20 0 GDADMM CC1(C(=O)N[C@H]2CCC[C@H]2CNc2nccnc2-c2nn[n-]n2)CCOCC1 ZINC001575562963 949830444 /nfs/dbraw/zinc/83/04/44/949830444.db2.gz IVLINMYWIBWHEL-STQMWFEESA-N -1 1 386.460 1.170 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1 ZINC001574140604 949837659 /nfs/dbraw/zinc/83/76/59/949837659.db2.gz OPBYWNNZAMKYRE-XGUBFFRZSA-N -1 1 384.488 1.955 20 0 GDADMM CC(C)(C)C12CC(C(=O)N3CC[C@@H](Nc4cnc(-c5nnn[n-]5)cn4)C3)(C1)C2 ZINC001573824170 949845979 /nfs/dbraw/zinc/84/59/79/949845979.db2.gz DTGNBMVVAPYFCI-PIHIASKNSA-N -1 1 382.472 1.886 20 0 GDADMM CC(C)(C)C12CC(C(=O)N3CC[C@@H](Nc4cnc(-c5nn[n-]n5)cn4)C3)(C1)C2 ZINC001573824170 949845998 /nfs/dbraw/zinc/84/59/98/949845998.db2.gz DTGNBMVVAPYFCI-PIHIASKNSA-N -1 1 382.472 1.886 20 0 GDADMM CC(C)(C)C1CC(C(=O)NC[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573823921 949846730 /nfs/dbraw/zinc/84/67/30/949846730.db2.gz BPFRCVWCSALVJE-IYXRBSQSSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)(C)C1CC(C(=O)NC[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573823921 949846754 /nfs/dbraw/zinc/84/67/54/949846754.db2.gz BPFRCVWCSALVJE-IYXRBSQSSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)(C)C1CC(C(=O)NC[C@@H]2CCCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573824556 949853428 /nfs/dbraw/zinc/85/34/28/949853428.db2.gz GUNVHEKTWOEEGW-RUXDESIVSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)C1CC(C(=O)NC[C@@H]2CCCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573824556 949853439 /nfs/dbraw/zinc/85/34/39/949853439.db2.gz GUNVHEKTWOEEGW-RUXDESIVSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)C[C@H](C)CC(=O)NC[C@H]1COCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001574142399 949870932 /nfs/dbraw/zinc/87/09/32/949870932.db2.gz YOQVHWQDXJQGMK-KBPBESRZSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)C[C@H](C)CC(=O)NC[C@H]1COCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001574142399 949870944 /nfs/dbraw/zinc/87/09/44/949870944.db2.gz YOQVHWQDXJQGMK-KBPBESRZSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@@H]1CCCN1c1nnc([C@@H]2CCCOC2)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001576178279 949880377 /nfs/dbraw/zinc/88/03/77/949880377.db2.gz HEJACROQDJPADY-CHWSQXEVSA-N -1 1 384.444 1.982 20 0 GDADMM C[C@@H]1CCCN1c1nnc([C@@H]2CCCOC2)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001576178279 949880403 /nfs/dbraw/zinc/88/04/03/949880403.db2.gz HEJACROQDJPADY-CHWSQXEVSA-N -1 1 384.444 1.982 20 0 GDADMM CC1(C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)CC2)CC(F)(F)C1 ZINC001575565699 949885966 /nfs/dbraw/zinc/88/59/66/949885966.db2.gz XJVGTULLPAYPRJ-NSHDSACASA-N -1 1 392.414 1.567 20 0 GDADMM CC1(C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)CC2)CC(F)(F)C1 ZINC001575565699 949885993 /nfs/dbraw/zinc/88/59/93/949885993.db2.gz XJVGTULLPAYPRJ-NSHDSACASA-N -1 1 392.414 1.567 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001574143062 949890827 /nfs/dbraw/zinc/89/08/27/949890827.db2.gz FTJWYKOLZMCJLT-CQSZACIVSA-N -1 1 388.476 1.147 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001574143062 949890852 /nfs/dbraw/zinc/89/08/52/949890852.db2.gz FTJWYKOLZMCJLT-CQSZACIVSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cc(F)c[nH]2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576178700 949899003 /nfs/dbraw/zinc/89/90/03/949899003.db2.gz CMZAMQRRVWCVMO-QMTHXVAHSA-N -1 1 385.407 1.477 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cc(F)c[nH]2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576178700 949899024 /nfs/dbraw/zinc/89/90/24/949899024.db2.gz CMZAMQRRVWCVMO-QMTHXVAHSA-N -1 1 385.407 1.477 20 0 GDADMM C[C@@H](CC(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C(F)(F)F ZINC001574484809 949903887 /nfs/dbraw/zinc/90/38/87/949903887.db2.gz OWCHORPSCKZYFS-JTQLQIEISA-N -1 1 384.366 1.284 20 0 GDADMM C[C@H](CC(=O)N1CCCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C1CC1 ZINC001574484789 949904064 /nfs/dbraw/zinc/90/40/64/949904064.db2.gz OFVPOUCTDCPINO-OCCSQVGLSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H](CC(=O)N1CCCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C1CC1 ZINC001574484789 949904085 /nfs/dbraw/zinc/90/40/85/949904085.db2.gz OFVPOUCTDCPINO-OCCSQVGLSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H]1CCN(C(=O)C2(C(F)F)CC2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576179342 949912561 /nfs/dbraw/zinc/91/25/61/949912561.db2.gz KTMLVSAPTQODTH-WDEREUQCSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H]1CCN(C(=O)C2(C(F)F)CC2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576179342 949912572 /nfs/dbraw/zinc/91/25/72/949912572.db2.gz KTMLVSAPTQODTH-WDEREUQCSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H](CC(=O)N1CCCC[C@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001574484941 949916277 /nfs/dbraw/zinc/91/62/77/949916277.db2.gz SCLWNHRDOLJWPH-HIFRSBDPSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](CC(=O)N1CCCC[C@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001574484941 949916295 /nfs/dbraw/zinc/91/62/95/949916295.db2.gz SCLWNHRDOLJWPH-HIFRSBDPSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](NC(=O)COC(C)(C)C)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575284793 949916874 /nfs/dbraw/zinc/91/68/74/949916874.db2.gz WNEXSMHXUSFUFZ-CHWSQXEVSA-N -1 1 388.476 1.193 20 0 GDADMM C[C@@H](NC(=O)COC(C)(C)C)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575284793 949916894 /nfs/dbraw/zinc/91/68/94/949916894.db2.gz WNEXSMHXUSFUFZ-CHWSQXEVSA-N -1 1 388.476 1.193 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574145569 949927314 /nfs/dbraw/zinc/92/73/14/949927314.db2.gz UKYJRTCHSIJSBJ-MGPQQGTHSA-N -1 1 388.476 1.557 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574145569 949927338 /nfs/dbraw/zinc/92/73/38/949927338.db2.gz UKYJRTCHSIJSBJ-MGPQQGTHSA-N -1 1 388.476 1.557 20 0 GDADMM C[C@H]1CCN(C(=O)Cc2ccccc2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576180104 949937455 /nfs/dbraw/zinc/93/74/55/949937455.db2.gz CBOWZMOHXFHLEI-HOCLYGCPSA-N -1 1 392.467 1.796 20 0 GDADMM C[C@H]1CCN(C(=O)Cc2ccccc2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576180104 949937477 /nfs/dbraw/zinc/93/74/77/949937477.db2.gz CBOWZMOHXFHLEI-HOCLYGCPSA-N -1 1 392.467 1.796 20 0 GDADMM C[C@H](CC(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@@]2(C)C1)C1CC1 ZINC001574489610 949962120 /nfs/dbraw/zinc/96/21/20/949962120.db2.gz JQIFTSZCEOTJOJ-TVZGQMOCSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H](CC(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@@]2(C)C1)C1CC1 ZINC001574489610 949962139 /nfs/dbraw/zinc/96/21/39/949962139.db2.gz JQIFTSZCEOTJOJ-TVZGQMOCSA-N -1 1 382.472 1.378 20 0 GDADMM CC(C)(C)CC(=O)N1CCC[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)CC[C@@H]21 ZINC001573829978 949964562 /nfs/dbraw/zinc/96/45/62/949964562.db2.gz GIIWPRAWRACCFL-HIFRSBDPSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)(C)CC(=O)N1CCC[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)CC[C@@H]21 ZINC001573829978 949964572 /nfs/dbraw/zinc/96/45/72/949964572.db2.gz GIIWPRAWRACCFL-HIFRSBDPSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)(C)CC(=O)N1CC[C@]2(C1)CCCN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001573829751 949968042 /nfs/dbraw/zinc/96/80/42/949968042.db2.gz FBIOZECWXWCUHX-LJQANCHMSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)(C)CC(=O)N1CC[C@]2(C1)CCCN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001573829751 949968058 /nfs/dbraw/zinc/96/80/58/949968058.db2.gz FBIOZECWXWCUHX-LJQANCHMSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@H]1CCN(C(=O)Cc2ccccc2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576181011 949986857 /nfs/dbraw/zinc/98/68/57/949986857.db2.gz GQNBVCUCXLYQOX-GOEBONIOSA-N -1 1 392.467 1.796 20 0 GDADMM C[C@H]1CCN(C(=O)Cc2ccccc2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576181011 949986872 /nfs/dbraw/zinc/98/68/72/949986872.db2.gz GQNBVCUCXLYQOX-GOEBONIOSA-N -1 1 392.467 1.796 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1cc(F)ccc1F)Nc1nccnc1-c1nnn[n-]1 ZINC001574728536 949991204 /nfs/dbraw/zinc/99/12/04/949991204.db2.gz CGRZAZPOGIYBBK-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1cc(F)ccc1F)Nc1nccnc1-c1nn[n-]n1 ZINC001574728536 949991224 /nfs/dbraw/zinc/99/12/24/949991224.db2.gz CGRZAZPOGIYBBK-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2ccc(Cl)o2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575891146 949992173 /nfs/dbraw/zinc/99/21/73/949992173.db2.gz FPEYDNKNMJLJQJ-UWVGGRQHSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2ccc(Cl)o2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575891146 949992189 /nfs/dbraw/zinc/99/21/89/949992189.db2.gz FPEYDNKNMJLJQJ-UWVGGRQHSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ccc(Cl)cc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574728646 949999232 /nfs/dbraw/zinc/99/92/32/949999232.db2.gz GCOSWAVCACYFDK-NSHDSACASA-N -1 1 386.847 1.812 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ccc(Cl)cc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574728646 949999246 /nfs/dbraw/zinc/99/92/46/949999246.db2.gz GCOSWAVCACYFDK-NSHDSACASA-N -1 1 386.847 1.812 20 0 GDADMM C[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)[C@H](C)NC(=O)Cc1cc[nH]n1 ZINC001575289597 949999971 /nfs/dbraw/zinc/99/99/71/949999971.db2.gz ADXWACPTYUXTSU-NKWVEPMBSA-N -1 1 381.853 1.248 20 0 GDADMM C[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)[C@H](C)NC(=O)Cc1cc[nH]n1 ZINC001575289597 949999998 /nfs/dbraw/zinc/99/99/98/949999998.db2.gz ADXWACPTYUXTSU-NKWVEPMBSA-N -1 1 381.853 1.248 20 0 GDADMM C[C@@H](NC(=O)Cc1ccccc1)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575289652 950001579 /nfs/dbraw/zinc/00/15/79/950001579.db2.gz BABDDSNZHKCPSJ-GDBMZVCRSA-N -1 1 392.467 1.621 20 0 GDADMM C[C@@H](NC(=O)Cc1ccccc1)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575289652 950001599 /nfs/dbraw/zinc/00/15/99/950001599.db2.gz BABDDSNZHKCPSJ-GDBMZVCRSA-N -1 1 392.467 1.621 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1)CC(C)(C)C ZINC001574490614 950005365 /nfs/dbraw/zinc/00/53/65/950005365.db2.gz WCCKFFOCNWAEEW-RDBSUJKOSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1)CC(C)(C)C ZINC001574490614 950005385 /nfs/dbraw/zinc/00/53/85/950005385.db2.gz WCCKFFOCNWAEEW-RDBSUJKOSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@H](CC(=O)N[C@]1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001574490776 950016712 /nfs/dbraw/zinc/01/67/12/950016712.db2.gz YUAQQBZBFPLELM-FZKQIMNGSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](CC(=O)N[C@]1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001574490776 950016739 /nfs/dbraw/zinc/01/67/39/950016739.db2.gz YUAQQBZBFPLELM-FZKQIMNGSA-N -1 1 381.444 1.195 20 0 GDADMM CC(C)(C)CC(=O)N[C@@H]1CC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001573834132 950017447 /nfs/dbraw/zinc/01/74/47/950017447.db2.gz GRTVAYLXPHTSSR-BFHYXJOUSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)CC(=O)N[C@@H]1CC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001573834132 950017470 /nfs/dbraw/zinc/01/74/70/950017470.db2.gz GRTVAYLXPHTSSR-BFHYXJOUSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H]1CCN(C(=O)CCCC2CC2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576182039 950033308 /nfs/dbraw/zinc/03/33/08/950033308.db2.gz KQCIYSWXUSWTFF-ZFWWWQNUSA-N -1 1 384.488 1.555 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2)C1CC1 ZINC001574491783 950044147 /nfs/dbraw/zinc/04/41/47/950044147.db2.gz FXVZZTTYAOCAIO-GXTWGEPZSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](CC(=O)N[C@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001574491752 950044946 /nfs/dbraw/zinc/04/49/46/950044946.db2.gz FLFKJYQHRMDIJI-YMTOWFKASA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](CC(=O)N[C@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574491752 950044965 /nfs/dbraw/zinc/04/49/65/950044965.db2.gz FLFKJYQHRMDIJI-YMTOWFKASA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001574492179 950067016 /nfs/dbraw/zinc/06/70/16/950067016.db2.gz KKQQSQJBUZQRBO-PRTUASRFSA-N -1 1 382.472 1.709 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@]1(C)c1ccccc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574733622 950118977 /nfs/dbraw/zinc/11/89/77/950118977.db2.gz DXCABAZBZPWOEF-IAMHBRQHSA-N -1 1 392.467 1.315 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(C3CC3)CC2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576184106 950118969 /nfs/dbraw/zinc/11/89/69/950118969.db2.gz UAIIDQDATRKDGC-CHWSQXEVSA-N -1 1 382.472 1.165 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1)C(F)(F)F ZINC001574493374 950126574 /nfs/dbraw/zinc/12/65/74/950126574.db2.gz GBXPKRHHKTWWOC-PSASIEDQSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1)C(F)(F)F ZINC001574493374 950126588 /nfs/dbraw/zinc/12/65/88/950126588.db2.gz GBXPKRHHKTWWOC-PSASIEDQSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cn[nH]c2)[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576184621 950136668 /nfs/dbraw/zinc/13/66/68/950136668.db2.gz WVUKGQVZXIUJKT-RISCZKNCSA-N -1 1 382.432 1.123 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cn[nH]c2)[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576184621 950136679 /nfs/dbraw/zinc/13/66/79/950136679.db2.gz WVUKGQVZXIUJKT-RISCZKNCSA-N -1 1 382.432 1.123 20 0 GDADMM C[C@]1(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)nn3)CCCCC2)CCOC1 ZINC001575583534 950144597 /nfs/dbraw/zinc/14/45/97/950144597.db2.gz RZPXMUFQJJLFTR-KRWDZBQOSA-N -1 1 386.460 1.314 20 0 GDADMM C[C@]1(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)nn3)CCCCC2)CCOC1 ZINC001575583534 950144610 /nfs/dbraw/zinc/14/46/10/950144610.db2.gz RZPXMUFQJJLFTR-KRWDZBQOSA-N -1 1 386.460 1.314 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(CF)CCC2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576184918 950146699 /nfs/dbraw/zinc/14/66/99/950146699.db2.gz YENIRUQUPCPNBR-CHWSQXEVSA-N -1 1 388.451 1.115 20 0 GDADMM C[C@H]1CCN(C(=O)CC(C)(F)F)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576184897 950147554 /nfs/dbraw/zinc/14/75/54/950147554.db2.gz XTRPWJRBFGPNHB-WDEREUQCSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H]1CCN(C(=O)CC(C)(F)F)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576184897 950147572 /nfs/dbraw/zinc/14/75/72/950147572.db2.gz XTRPWJRBFGPNHB-WDEREUQCSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccon2)[C@@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576185011 950149374 /nfs/dbraw/zinc/14/93/74/950149374.db2.gz YJXLRKBZIJHNMD-BXUZGUMPSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccon2)[C@@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576185011 950149389 /nfs/dbraw/zinc/14/93/89/950149389.db2.gz YJXLRKBZIJHNMD-BXUZGUMPSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cnco2)[C@@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001576184998 950151600 /nfs/dbraw/zinc/15/16/00/950151600.db2.gz YFHZEASFLVTHFP-VXGBXAGGSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cnco2)[C@@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001576184998 950151608 /nfs/dbraw/zinc/15/16/08/950151608.db2.gz YFHZEASFLVTHFP-VXGBXAGGSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574735023 950155126 /nfs/dbraw/zinc/15/51/26/950155126.db2.gz XNJJIYJKUOEMMU-HXFLIBJXSA-N -1 1 383.865 1.128 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cccnc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574734953 950155161 /nfs/dbraw/zinc/15/51/61/950155161.db2.gz VTCYLNOQVXLNMO-FPMFFAJLSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cccnc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574734953 950155180 /nfs/dbraw/zinc/15/51/80/950155180.db2.gz VTCYLNOQVXLNMO-FPMFFAJLSA-N -1 1 379.428 1.114 20 0 GDADMM CC1(C(=O)NC[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)CC(F)(F)C1 ZINC001575584788 950177936 /nfs/dbraw/zinc/17/79/36/950177936.db2.gz SJCZYPSIVFMTGF-LLVKDONJSA-N -1 1 392.414 1.425 20 0 GDADMM CC1(C(=O)NC[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)CC(F)(F)C1 ZINC001575584788 950177952 /nfs/dbraw/zinc/17/79/52/950177952.db2.gz SJCZYPSIVFMTGF-LLVKDONJSA-N -1 1 392.414 1.425 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001574155041 950181971 /nfs/dbraw/zinc/18/19/71/950181971.db2.gz IJXXNPYBAWHDSR-JLNYLFASSA-N -1 1 386.460 1.167 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001574155041 950181984 /nfs/dbraw/zinc/18/19/84/950181984.db2.gz IJXXNPYBAWHDSR-JLNYLFASSA-N -1 1 386.460 1.167 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C1(C(F)F)CC1 ZINC001574155566 950195758 /nfs/dbraw/zinc/19/57/58/950195758.db2.gz NVNHEZHXGKLDHU-JTQLQIEISA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C1(C(F)F)CC1 ZINC001574155566 950195775 /nfs/dbraw/zinc/19/57/75/950195775.db2.gz NVNHEZHXGKLDHU-JTQLQIEISA-N -1 1 380.403 1.645 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2sccc2F)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575900933 950212691 /nfs/dbraw/zinc/21/26/91/950212691.db2.gz JSSKIJDJNZFSQA-ONGXEEELSA-N -1 1 388.432 1.645 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CCc1ccco1 ZINC001574155819 950213081 /nfs/dbraw/zinc/21/30/81/950213081.db2.gz RVHXWRONGMOTJI-ZDUSSCGKSA-N -1 1 384.444 1.825 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CCc1ccco1 ZINC001574155819 950213101 /nfs/dbraw/zinc/21/31/01/950213101.db2.gz RVHXWRONGMOTJI-ZDUSSCGKSA-N -1 1 384.444 1.825 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](CO)Nc1snc(Cl)c1-c1nnn[n-]1)C1CC1 ZINC001574496983 950221227 /nfs/dbraw/zinc/22/12/27/950221227.db2.gz YBBMRBVHJQEMMR-APPZFPTMSA-N -1 1 385.881 1.302 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](CO)Nc1snc(Cl)c1-c1nn[n-]n1)C1CC1 ZINC001574496983 950221240 /nfs/dbraw/zinc/22/12/40/950221240.db2.gz YBBMRBVHJQEMMR-APPZFPTMSA-N -1 1 385.881 1.302 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2ncccc2[O-])CCCN1c1ncccc1-c1nn[nH]n1 ZINC001575901238 950224072 /nfs/dbraw/zinc/22/40/72/950224072.db2.gz MPLXZEWVWDOFBZ-AAEUAGOBSA-N -1 1 380.412 1.150 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C1(CF)CCC1 ZINC001574157595 950247601 /nfs/dbraw/zinc/24/76/01/950247601.db2.gz DRYXFSNLWCCNPG-GFCCVEGCSA-N -1 1 376.440 1.739 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C1(CF)CCC1 ZINC001574157595 950247616 /nfs/dbraw/zinc/24/76/16/950247616.db2.gz DRYXFSNLWCCNPG-GFCCVEGCSA-N -1 1 376.440 1.739 20 0 GDADMM CC1(C(=O)NC[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CCCCCC1 ZINC001575588203 950248427 /nfs/dbraw/zinc/24/84/27/950248427.db2.gz QDXANEVURSJGCR-CQSZACIVSA-N -1 1 384.488 1.960 20 0 GDADMM CC1(C(=O)NC[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CCCCCC1 ZINC001575588203 950248444 /nfs/dbraw/zinc/24/84/44/950248444.db2.gz QDXANEVURSJGCR-CQSZACIVSA-N -1 1 384.488 1.960 20 0 GDADMM C[C@H]1CCN(C(=O)c2cccnc2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576192913 950278466 /nfs/dbraw/zinc/27/84/66/950278466.db2.gz RHTPKIMEGPUMSM-JSGCOSHPSA-N -1 1 379.428 1.262 20 0 GDADMM C[C@H]1CCN(C(=O)c2cccnc2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576192913 950278484 /nfs/dbraw/zinc/27/84/84/950278484.db2.gz RHTPKIMEGPUMSM-JSGCOSHPSA-N -1 1 379.428 1.262 20 0 GDADMM CC1(C(=O)NC[C@@H]2Cc3ccccc3CN2c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575593326 950313195 /nfs/dbraw/zinc/31/31/95/950313195.db2.gz FPISMDFYDARPAI-HNNXBMFYSA-N -1 1 390.451 1.504 20 0 GDADMM CC1(C(=O)NC[C@@H]2Cc3ccccc3CN2c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575593326 950313214 /nfs/dbraw/zinc/31/32/14/950313214.db2.gz FPISMDFYDARPAI-HNNXBMFYSA-N -1 1 390.451 1.504 20 0 GDADMM CC1(C(=O)NCCCN(c2ccc(-c3nnn[n-]3)nn2)C2CC2)CC(F)(F)C1 ZINC001575593989 950326928 /nfs/dbraw/zinc/32/69/28/950326928.db2.gz QRLOPFBKJIITPB-UHFFFAOYSA-N -1 1 392.414 1.567 20 0 GDADMM CC1(C(=O)NCCCN(c2ccc(-c3nn[n-]n3)nn2)C2CC2)CC(F)(F)C1 ZINC001575593989 950326948 /nfs/dbraw/zinc/32/69/48/950326948.db2.gz QRLOPFBKJIITPB-UHFFFAOYSA-N -1 1 392.414 1.567 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CSC(C)C ZINC001574160304 950337161 /nfs/dbraw/zinc/33/71/61/950337161.db2.gz MVJDZSCCNQGQAL-LBPRGKRZSA-N -1 1 378.506 1.741 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CSC(C)C ZINC001574160304 950337181 /nfs/dbraw/zinc/33/71/81/950337181.db2.gz MVJDZSCCNQGQAL-LBPRGKRZSA-N -1 1 378.506 1.741 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C1(F)CCOCC1 ZINC001574160875 950345059 /nfs/dbraw/zinc/34/50/59/950345059.db2.gz QCFOHNGCIMLPKL-GFCCVEGCSA-N -1 1 392.439 1.118 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C1(F)CCOCC1 ZINC001574160875 950345076 /nfs/dbraw/zinc/34/50/76/950345076.db2.gz QCFOHNGCIMLPKL-GFCCVEGCSA-N -1 1 392.439 1.118 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@]1(C)CCCOC1 ZINC001574161303 950354329 /nfs/dbraw/zinc/35/43/29/950354329.db2.gz SMLYCEDNTGQSNB-UGSOOPFHSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@]1(C)CCCOC1 ZINC001574161303 950354350 /nfs/dbraw/zinc/35/43/50/950354350.db2.gz SMLYCEDNTGQSNB-UGSOOPFHSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H](C)n1cccn1 ZINC001574161760 950361481 /nfs/dbraw/zinc/36/14/81/950361481.db2.gz WRRGUPDGNCXVOZ-QWHCGFSZSA-N -1 1 384.448 1.057 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)n1cccn1 ZINC001574161760 950361497 /nfs/dbraw/zinc/36/14/97/950361497.db2.gz WRRGUPDGNCXVOZ-QWHCGFSZSA-N -1 1 384.448 1.057 20 0 GDADMM CC1(C(=O)NC[C@H]2Cc3ccccc3CN2c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001575596603 950383467 /nfs/dbraw/zinc/38/34/67/950383467.db2.gz TYQIOIBDZAARAJ-OAHLLOKOSA-N -1 1 390.451 1.504 20 0 GDADMM CC1(C(=O)NC[C@H]2Cc3ccccc3CN2c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001575596603 950383482 /nfs/dbraw/zinc/38/34/82/950383482.db2.gz TYQIOIBDZAARAJ-OAHLLOKOSA-N -1 1 390.451 1.504 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@]1(C)CCCOC1 ZINC001574162659 950393014 /nfs/dbraw/zinc/39/30/14/950393014.db2.gz GONGKLATVJRWBE-UGSOOPFHSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@]1(C)CCCOC1 ZINC001574162659 950393036 /nfs/dbraw/zinc/39/30/36/950393036.db2.gz GONGKLATVJRWBE-UGSOOPFHSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001574503023 950397879 /nfs/dbraw/zinc/39/78/79/950397879.db2.gz SFELGRBJXUCPEM-UONOGXRCSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001574503023 950397892 /nfs/dbraw/zinc/39/78/92/950397892.db2.gz SFELGRBJXUCPEM-UONOGXRCSA-N -1 1 381.444 1.052 20 0 GDADMM CC(C)c1cc(C(=O)N(C)C[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)n(C)n1 ZINC001574747781 950419216 /nfs/dbraw/zinc/41/92/16/950419216.db2.gz XFNGQSYSQFFTGZ-NSHDSACASA-N -1 1 384.448 1.086 20 0 GDADMM CC(C)c1cc(C(=O)N(C)C[C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)n(C)n1 ZINC001574747781 950419227 /nfs/dbraw/zinc/41/92/27/950419227.db2.gz XFNGQSYSQFFTGZ-NSHDSACASA-N -1 1 384.448 1.086 20 0 GDADMM C[C@]1(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CCc2ccccc21 ZINC001575599212 950427507 /nfs/dbraw/zinc/42/75/07/950427507.db2.gz HQZHRNBCOKGLHK-VLIAUNLRSA-N -1 1 390.451 1.256 20 0 GDADMM C[C@]1(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CCc2ccccc21 ZINC001575599212 950427519 /nfs/dbraw/zinc/42/75/19/950427519.db2.gz HQZHRNBCOKGLHK-VLIAUNLRSA-N -1 1 390.451 1.256 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H](C)c1ccco1 ZINC001574163763 950430413 /nfs/dbraw/zinc/43/04/13/950430413.db2.gz XQVQNFWAIGSSFU-QWHCGFSZSA-N -1 1 384.444 1.996 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H](C)c1ccco1 ZINC001574163763 950430421 /nfs/dbraw/zinc/43/04/21/950430421.db2.gz XQVQNFWAIGSSFU-QWHCGFSZSA-N -1 1 384.444 1.996 20 0 GDADMM C[C@]1(C(=O)N[C@@H]2CCCC[C@H]2Nc2cncc(-c3nnn[n-]3)n2)CCCOC1 ZINC001575599712 950436101 /nfs/dbraw/zinc/43/61/01/950436101.db2.gz OPHNMBJCOAEMFS-VFVRVIDISA-N -1 1 386.460 1.313 20 0 GDADMM C[C@]1(C(=O)N[C@@H]2CCCC[C@H]2Nc2cncc(-c3nn[n-]n3)n2)CCCOC1 ZINC001575599712 950436114 /nfs/dbraw/zinc/43/61/14/950436114.db2.gz OPHNMBJCOAEMFS-VFVRVIDISA-N -1 1 386.460 1.313 20 0 GDADMM CC(C)CC1(C(=O)NC[C@@H](O)CNc2ccc(-c3nnn[n-]3)nn2)CCCC1 ZINC001574165308 950445798 /nfs/dbraw/zinc/44/57/98/950445798.db2.gz CWAPOIIDHUIIEK-ZDUSSCGKSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)CC1(C(=O)NC[C@@H](O)CNc2ccc(-c3nn[n-]n3)nn2)CCCC1 ZINC001574165308 950445817 /nfs/dbraw/zinc/44/58/17/950445817.db2.gz CWAPOIIDHUIIEK-ZDUSSCGKSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)CC1(C(=O)NC[C@@H]2CCCN2c2nccnc2-c2nnn[n-]2)CCC1 ZINC001574165828 950453513 /nfs/dbraw/zinc/45/35/13/950453513.db2.gz JMIOWDXPMNHOIA-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CC1(C(=O)NC[C@@H]2CCCN2c2nccnc2-c2nn[n-]n2)CCC1 ZINC001574165828 950453531 /nfs/dbraw/zinc/45/35/31/950453531.db2.gz JMIOWDXPMNHOIA-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CC(=O)NCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1)c1ccccc1 ZINC001574507751 950463061 /nfs/dbraw/zinc/46/30/61/950463061.db2.gz IFOWQQOLFQOKMX-AWEZNQCLSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@@H](CC(=O)NCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1)c1ccccc1 ZINC001574507751 950463077 /nfs/dbraw/zinc/46/30/77/950463077.db2.gz IFOWQQOLFQOKMX-AWEZNQCLSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@@H](CC(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1)c1ccc(F)cc1 ZINC001574508152 950474049 /nfs/dbraw/zinc/47/40/49/950474049.db2.gz JQBYCFDFYHHQHD-LBPRGKRZSA-N -1 1 384.419 1.542 20 0 GDADMM C[C@@H](CC(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1)c1ccc(F)cc1 ZINC001574508152 950474058 /nfs/dbraw/zinc/47/40/58/950474058.db2.gz JQBYCFDFYHHQHD-LBPRGKRZSA-N -1 1 384.419 1.542 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc2c(c1)CCC=C2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574752998 950510232 /nfs/dbraw/zinc/51/02/32/950510232.db2.gz IFWDWEGTFQVJDX-CYBMUJFWSA-N -1 1 390.451 1.611 20 0 GDADMM C[C@@]1(C(=O)N[C@H]2C[C@@H](Nc3nc(Cl)c(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575609171 950522123 /nfs/dbraw/zinc/52/21/23/950522123.db2.gz UMWVMTGOAQIIKX-CYVIZDSUSA-N -1 1 383.865 1.462 20 0 GDADMM C[C@@]1(C(=O)N[C@H]2C[C@@H](Nc3nc(Cl)c(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575609171 950522131 /nfs/dbraw/zinc/52/21/31/950522131.db2.gz UMWVMTGOAQIIKX-CYVIZDSUSA-N -1 1 383.865 1.462 20 0 GDADMM C[C@@H](CNC(=O)c1cc(C(C)(C)C)on1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574997722 950551000 /nfs/dbraw/zinc/55/10/00/950551000.db2.gz XGYIQZPIUMXMID-JTQLQIEISA-N -1 1 385.432 1.197 20 0 GDADMM C[C@@H](CNC(=O)c1cc(C(C)(C)C)on1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574997722 950551015 /nfs/dbraw/zinc/55/10/15/950551015.db2.gz XGYIQZPIUMXMID-JTQLQIEISA-N -1 1 385.432 1.197 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575615809 950576312 /nfs/dbraw/zinc/57/63/12/950576312.db2.gz IFUHROWSQKBKTD-UHFFFAOYSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)OCC(=O)NC1CC2(C1)CC(Nc1cncc(-c3nnn[n-]3)n1)C2 ZINC001573869968 950580365 /nfs/dbraw/zinc/58/03/65/950580365.db2.gz SQRKWYJETCOYFT-UHFFFAOYSA-N -1 1 386.460 1.311 20 0 GDADMM CC(C)(C)OCC(=O)NC1CC2(C1)CC(Nc1cncc(-c3nn[n-]n3)n1)C2 ZINC001573869968 950580381 /nfs/dbraw/zinc/58/03/81/950580381.db2.gz SQRKWYJETCOYFT-UHFFFAOYSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1CCCCC1 ZINC001574511977 950581944 /nfs/dbraw/zinc/58/19/44/950581944.db2.gz YNHWVXKSBHCWPG-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1CCCCC1 ZINC001574511977 950581961 /nfs/dbraw/zinc/58/19/61/950581961.db2.gz YNHWVXKSBHCWPG-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccccn1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574758540 950611496 /nfs/dbraw/zinc/61/14/96/950611496.db2.gz CTPPTRUZPXSJGE-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccccn1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574758540 950611509 /nfs/dbraw/zinc/61/15/09/950611509.db2.gz CTPPTRUZPXSJGE-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)ccc1Cl)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575001459 950631205 /nfs/dbraw/zinc/63/12/05/950631205.db2.gz KUAWWGBNMTVKST-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)ccc1Cl)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575001459 950631220 /nfs/dbraw/zinc/63/12/20/950631220.db2.gz KUAWWGBNMTVKST-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001574515696 950633161 /nfs/dbraw/zinc/63/31/61/950633161.db2.gz DUTSEQAYBAKJKL-JHJVBQTASA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001574515696 950633178 /nfs/dbraw/zinc/63/31/78/950633178.db2.gz DUTSEQAYBAKJKL-JHJVBQTASA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)[C@H]1CCCO1 ZINC001574515721 950633207 /nfs/dbraw/zinc/63/32/07/950633207.db2.gz GANMWSJMZIELAM-PWNZVWSESA-N -1 1 386.460 1.169 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)[C@H]1CCCO1 ZINC001574515721 950633216 /nfs/dbraw/zinc/63/32/16/950633216.db2.gz GANMWSJMZIELAM-PWNZVWSESA-N -1 1 386.460 1.169 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)[C@@H]1CCCO1 ZINC001574516409 950635385 /nfs/dbraw/zinc/63/53/85/950635385.db2.gz ICHXZGVRQQSYLN-BHPKHCPMSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)[C@@H]1CCCO1 ZINC001574516409 950635400 /nfs/dbraw/zinc/63/54/00/950635400.db2.gz ICHXZGVRQQSYLN-BHPKHCPMSA-N -1 1 386.460 1.169 20 0 GDADMM CC1(C)[C@H](NC(=O)CC2CC2)[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)[C@H]21 ZINC001575622265 950635998 /nfs/dbraw/zinc/63/59/98/950635998.db2.gz AOMJLCFOAMHZDU-CSMYWGQOSA-N -1 1 382.472 1.566 20 0 GDADMM CC1(C)[C@H](NC(=O)CC2CC2)[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)[C@H]21 ZINC001575622265 950636014 /nfs/dbraw/zinc/63/60/14/950636014.db2.gz AOMJLCFOAMHZDU-CSMYWGQOSA-N -1 1 382.472 1.566 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)[C@H]1CCCO1 ZINC001574516413 950637873 /nfs/dbraw/zinc/63/78/73/950637873.db2.gz ICHXZGVRQQSYLN-RGCMKSIDSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)[C@H]1CCCO1 ZINC001574516413 950637882 /nfs/dbraw/zinc/63/78/82/950637882.db2.gz ICHXZGVRQQSYLN-RGCMKSIDSA-N -1 1 386.460 1.169 20 0 GDADMM CC1(C)[C@H](NC(=O)CCCF)[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)[C@@H]21 ZINC001575622325 950638386 /nfs/dbraw/zinc/63/83/86/950638386.db2.gz CKYXJUQHGRRPPW-LYRGGWFBSA-N -1 1 388.451 1.516 20 0 GDADMM CC1(C)[C@H](NC(=O)CCCF)[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)[C@@H]21 ZINC001575622325 950638398 /nfs/dbraw/zinc/63/83/98/950638398.db2.gz CKYXJUQHGRRPPW-LYRGGWFBSA-N -1 1 388.451 1.516 20 0 GDADMM C[C@@H](CNC(=O)c1cc(C(F)F)ccc1F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575002039 950649233 /nfs/dbraw/zinc/64/92/33/950649233.db2.gz YRLNQFCPDVBTMF-QMMMGPOBSA-N -1 1 392.345 1.964 20 0 GDADMM C[C@@H](CNC(=O)c1cc(C(F)F)ccc1F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575002039 950649245 /nfs/dbraw/zinc/64/92/45/950649245.db2.gz YRLNQFCPDVBTMF-QMMMGPOBSA-N -1 1 392.345 1.964 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)ccc1F)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575002138 950652839 /nfs/dbraw/zinc/65/28/39/950652839.db2.gz ZMORUZSVFDWZDL-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)ccc1F)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575002138 950652848 /nfs/dbraw/zinc/65/28/48/950652848.db2.gz ZMORUZSVFDWZDL-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM CC1(C)CC(C(=O)N2C[C@H]3CCN(c4nccnc4-c4nnn[n-]4)C[C@H]3C2)C1 ZINC001575624154 950668104 /nfs/dbraw/zinc/66/81/04/950668104.db2.gz HBXFEUQCEHEALQ-OCCSQVGLSA-N -1 1 382.472 1.378 20 0 GDADMM CC1(C)CC(C(=O)N2C[C@H]3CCN(c4nccnc4-c4nn[n-]n4)C[C@H]3C2)C1 ZINC001575624154 950668119 /nfs/dbraw/zinc/66/81/19/950668119.db2.gz HBXFEUQCEHEALQ-OCCSQVGLSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H](CNC(=O)c1cc2occc2s1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575005333 950676397 /nfs/dbraw/zinc/67/63/97/950676397.db2.gz BDBADMSHYNIIPO-VIFPVBQESA-N -1 1 384.425 1.719 20 0 GDADMM C[C@H]1[C@@H](Nc2cccc(F)c2-c2nn[nH]n2)CCN1C(=O)c1ncccc1[O-] ZINC001575924573 950676536 /nfs/dbraw/zinc/67/65/36/950676536.db2.gz SKKXGYZGUJGEMT-JQWIXIFHSA-N -1 1 383.387 1.822 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001573877771 950690709 /nfs/dbraw/zinc/69/07/09/950690709.db2.gz FQKOTKVDFFDDAH-REWJHTLYSA-N -1 1 382.472 1.376 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001573877771 950690718 /nfs/dbraw/zinc/69/07/18/950690718.db2.gz FQKOTKVDFFDDAH-REWJHTLYSA-N -1 1 382.472 1.376 20 0 GDADMM C[C@@H](CNC(=O)c1cc2c(s1)CCCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575005794 950701089 /nfs/dbraw/zinc/70/10/89/950701089.db2.gz NJOUXEHRVNKCJO-JTQLQIEISA-N -1 1 384.469 1.827 20 0 GDADMM C[C@@H](CNC(=O)c1cc2c(s1)CCCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575005794 950701106 /nfs/dbraw/zinc/70/11/06/950701106.db2.gz NJOUXEHRVNKCJO-JTQLQIEISA-N -1 1 384.469 1.827 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccc2c(c1)CCO2 ZINC001575926200 950702187 /nfs/dbraw/zinc/70/21/87/950702187.db2.gz WCYMMXQUPNUPEK-RISCZKNCSA-N -1 1 392.423 1.307 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccc2c(c1)CCO2 ZINC001575926200 950702199 /nfs/dbraw/zinc/70/21/99/950702199.db2.gz WCYMMXQUPNUPEK-RISCZKNCSA-N -1 1 392.423 1.307 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccsc1Cl)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574762480 950709798 /nfs/dbraw/zinc/70/97/98/950709798.db2.gz YDFQCVIEISCJSX-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccsc1Cl)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574762480 950709807 /nfs/dbraw/zinc/70/98/07/950709807.db2.gz YDFQCVIEISCJSX-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CNC(=O)c1cc2cnccc2o1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575006211 950715013 /nfs/dbraw/zinc/71/50/13/950715013.db2.gz SQWYICSDZANUND-SNVBAGLBSA-N -1 1 379.384 1.053 20 0 GDADMM C[C@H](CNC(=O)c1cc2cnccc2o1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575006211 950715029 /nfs/dbraw/zinc/71/50/29/950715029.db2.gz SQWYICSDZANUND-SNVBAGLBSA-N -1 1 379.384 1.053 20 0 GDADMM CC1(C)CC(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(c2cncc(-c4nnn[n-]4)n2)C3)C1 ZINC001575628268 950715334 /nfs/dbraw/zinc/71/53/34/950715334.db2.gz BFWHBEYVHYKORU-YUTCNCBUSA-N -1 1 382.472 1.566 20 0 GDADMM CC1(C)CC(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(c2cncc(-c4nn[n-]n4)n2)C3)C1 ZINC001575628268 950715350 /nfs/dbraw/zinc/71/53/50/950715350.db2.gz BFWHBEYVHYKORU-YUTCNCBUSA-N -1 1 382.472 1.566 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cc(C(F)F)n[nH]1 ZINC001575926700 950718250 /nfs/dbraw/zinc/71/82/50/950718250.db2.gz LDBHRLLOMIDNNX-SFYZADRCSA-N -1 1 390.358 1.033 20 0 GDADMM CC1(C)CC(C(=O)N[C@@H]2CC23CCN(c2cncc(-c4nnn[n-]4)n2)CC3)C1 ZINC001575628532 950723156 /nfs/dbraw/zinc/72/31/56/950723156.db2.gz FCRSZHZDTPVEGA-CQSZACIVSA-N -1 1 382.472 1.568 20 0 GDADMM CC1(C)CC(C(=O)N[C@@H]2CC23CCN(c2cncc(-c4nn[n-]n4)n2)CC3)C1 ZINC001575628532 950723166 /nfs/dbraw/zinc/72/31/66/950723166.db2.gz FCRSZHZDTPVEGA-CQSZACIVSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576216325 950727302 /nfs/dbraw/zinc/72/73/02/950727302.db2.gz DHZLMCPBIVONGO-WDEREUQCSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576216325 950727314 /nfs/dbraw/zinc/72/73/14/950727314.db2.gz DHZLMCPBIVONGO-WDEREUQCSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ocnc1C(F)F ZINC001575926897 950727582 /nfs/dbraw/zinc/72/75/82/950727582.db2.gz MSTFGHFXARFZJJ-SFYZADRCSA-N -1 1 391.342 1.297 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ocnc1C(F)F ZINC001575926897 950727595 /nfs/dbraw/zinc/72/75/95/950727595.db2.gz MSTFGHFXARFZJJ-SFYZADRCSA-N -1 1 391.342 1.297 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576216320 950729666 /nfs/dbraw/zinc/72/96/66/950729666.db2.gz DHZLMCPBIVONGO-GHMZBOCLSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576216320 950729681 /nfs/dbraw/zinc/72/96/81/950729681.db2.gz DHZLMCPBIVONGO-GHMZBOCLSA-N -1 1 392.414 1.599 20 0 GDADMM CC1(C)CC(C(=O)NCC2(Nc3cnc(-c4nnn[n-]4)cn3)CCOCC2)C1 ZINC001575629107 950731103 /nfs/dbraw/zinc/73/11/03/950731103.db2.gz LPMKTDLTQCPUMT-UHFFFAOYSA-N -1 1 386.460 1.170 20 0 GDADMM CC1(C)CC(C(=O)NCC2(Nc3cnc(-c4nn[n-]n4)cn3)CCOCC2)C1 ZINC001575629107 950731119 /nfs/dbraw/zinc/73/11/19/950731119.db2.gz LPMKTDLTQCPUMT-UHFFFAOYSA-N -1 1 386.460 1.170 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1 ZINC001573879917 950737976 /nfs/dbraw/zinc/73/79/76/950737976.db2.gz OPAGZMXBHIARIM-FWZIUSJTSA-N -1 1 382.472 1.565 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1 ZINC001573879917 950738000 /nfs/dbraw/zinc/73/80/00/950738000.db2.gz OPAGZMXBHIARIM-FWZIUSJTSA-N -1 1 382.472 1.565 20 0 GDADMM C[C@H](CN(C)C(=O)c1cnccn1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574763990 950738828 /nfs/dbraw/zinc/73/88/28/950738828.db2.gz OLRRMWIPBXRYDE-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM CC(C)(C)c1cccc(C(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001573881318 950748837 /nfs/dbraw/zinc/74/88/37/950748837.db2.gz CXJRLHUGVSLLQN-OAHLLOKOSA-N -1 1 392.467 1.963 20 0 GDADMM CC(C)(C)c1cccc(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001573881318 950748845 /nfs/dbraw/zinc/74/88/45/950748845.db2.gz CXJRLHUGVSLLQN-OAHLLOKOSA-N -1 1 392.467 1.963 20 0 GDADMM CC1(C)CC(C(=O)N[C@]23CCC[C@@H]2N(c2ccnc(-c4nn[n-]n4)n2)CC3)C1 ZINC001575629987 950750811 /nfs/dbraw/zinc/75/08/11/950750811.db2.gz XUPRCYWWTFQMGB-DJJJIMSYSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)COCC1CCCC1 ZINC001575927944 950762307 /nfs/dbraw/zinc/76/23/07/950762307.db2.gz WKNPQYNBJKZTES-TZMCWYRMSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)COCC1CCCC1 ZINC001575927944 950762323 /nfs/dbraw/zinc/76/23/23/950762323.db2.gz WKNPQYNBJKZTES-TZMCWYRMSA-N -1 1 386.460 1.265 20 0 GDADMM CC1(C)CC(C(=O)NC[C@]23CCC[C@H]2N(c2ccc(-c4nnn[n-]4)nn2)CC3)C1 ZINC001575631194 950771528 /nfs/dbraw/zinc/77/15/28/950771528.db2.gz LDXAXJFTLDDIAE-FOIQADDNSA-N -1 1 396.499 1.958 20 0 GDADMM CC1(C)CC(C(=O)NC[C@]23CCC[C@H]2N(c2ccc(-c4nn[n-]n4)nn2)CC3)C1 ZINC001575631194 950771544 /nfs/dbraw/zinc/77/15/44/950771544.db2.gz LDXAXJFTLDDIAE-FOIQADDNSA-N -1 1 396.499 1.958 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C2CC2)CC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576217859 950772585 /nfs/dbraw/zinc/77/25/85/950772585.db2.gz JVDOTKUKBICAOZ-CHWSQXEVSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C2CC2)CC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576217859 950772596 /nfs/dbraw/zinc/77/25/96/950772596.db2.gz JVDOTKUKBICAOZ-CHWSQXEVSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H](CN(C)C(=O)c1csc(Cl)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574765077 950773755 /nfs/dbraw/zinc/77/37/55/950773755.db2.gz DDJFJHSAHYUFDJ-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CN(C)C(=O)c1csc(Cl)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574765077 950773769 /nfs/dbraw/zinc/77/37/69/950773769.db2.gz DDJFJHSAHYUFDJ-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C(F)(F)F)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576218021 950778151 /nfs/dbraw/zinc/77/81/51/950778151.db2.gz KGMQKHBLECUTCW-IUCAKERBSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C(F)(F)F)C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576218021 950778164 /nfs/dbraw/zinc/77/81/64/950778164.db2.gz KGMQKHBLECUTCW-IUCAKERBSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576218562 950796066 /nfs/dbraw/zinc/79/60/66/950796066.db2.gz MMJATDVDYPJCQN-WDEREUQCSA-N -1 1 392.414 1.020 20 0 GDADMM C[C@@H]1[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)CCN1C(=O)c1cn[nH]c1 ZINC001575931109 950802366 /nfs/dbraw/zinc/80/23/66/950802366.db2.gz GWQPIGPAZUTVQN-HTRCEHHLSA-N -1 1 379.837 1.415 20 0 GDADMM C[C@@H]1[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCN1C(=O)c1cn[nH]c1 ZINC001575931109 950802386 /nfs/dbraw/zinc/80/23/86/950802386.db2.gz GWQPIGPAZUTVQN-HTRCEHHLSA-N -1 1 379.837 1.415 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCc1nccs1 ZINC001575932293 950827253 /nfs/dbraw/zinc/82/72/53/950827253.db2.gz LQJXKXANMIEISH-MNOVXSKESA-N -1 1 385.457 1.147 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1nccs1 ZINC001575932293 950827283 /nfs/dbraw/zinc/82/72/83/950827283.db2.gz LQJXKXANMIEISH-MNOVXSKESA-N -1 1 385.457 1.147 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cnc(C2CC2)o1 ZINC001575932777 950827739 /nfs/dbraw/zinc/82/77/39/950827739.db2.gz MOTAVITYGAVFEM-ONGXEEELSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cnc(C2CC2)o1 ZINC001575932777 950827762 /nfs/dbraw/zinc/82/77/62/950827762.db2.gz MOTAVITYGAVFEM-ONGXEEELSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H](CN(C)C(=O)c1nccc2occc21)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574766888 950833240 /nfs/dbraw/zinc/83/32/40/950833240.db2.gz NVSLXFJYRRAQOJ-JTQLQIEISA-N -1 1 379.384 1.371 20 0 GDADMM C[C@@H](CN(C)C(=O)c1nccc2occc21)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574766888 950833261 /nfs/dbraw/zinc/83/32/61/950833261.db2.gz NVSLXFJYRRAQOJ-JTQLQIEISA-N -1 1 379.384 1.371 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576220548 950837669 /nfs/dbraw/zinc/83/76/69/950837669.db2.gz RMLWRUHSXSEULB-MNOVXSKESA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576220548 950837691 /nfs/dbraw/zinc/83/76/91/950837691.db2.gz RMLWRUHSXSEULB-MNOVXSKESA-N -1 1 392.414 1.599 20 0 GDADMM CC(C)CCCC(=O)N1CCO[C@@H]([C@@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574187785 950838268 /nfs/dbraw/zinc/83/82/68/950838268.db2.gz QDJKTUMXBDBWJA-ZIAGYGMSSA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)CCCC(=O)N1CCO[C@@H]([C@@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574187785 950838286 /nfs/dbraw/zinc/83/82/86/950838286.db2.gz QDJKTUMXBDBWJA-ZIAGYGMSSA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)(F)C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)CC(C)(C)C1 ZINC001575638523 950840649 /nfs/dbraw/zinc/84/06/49/950840649.db2.gz GDRKJDMUJYGUNT-NSHDSACASA-N -1 1 376.440 1.516 20 0 GDADMM CC(C)(F)C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)CC(C)(C)C1 ZINC001575638523 950840669 /nfs/dbraw/zinc/84/06/69/950840669.db2.gz GDRKJDMUJYGUNT-NSHDSACASA-N -1 1 376.440 1.516 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)n1 ZINC001573887504 950842584 /nfs/dbraw/zinc/84/25/84/950842584.db2.gz FNXQJNRYPRBHMJ-CYBMUJFWSA-N -1 1 381.396 1.538 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)n1 ZINC001573887504 950842607 /nfs/dbraw/zinc/84/26/07/950842607.db2.gz FNXQJNRYPRBHMJ-CYBMUJFWSA-N -1 1 381.396 1.538 20 0 GDADMM C[C@H](CN(C)C(=O)c1noc2c1CCCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001574767225 950843403 /nfs/dbraw/zinc/84/34/03/950843403.db2.gz NHNJXQNDGSEMND-SNVBAGLBSA-N -1 1 383.416 1.096 20 0 GDADMM C[C@H](CN(C)C(=O)c1noc2c1CCCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001574767225 950843420 /nfs/dbraw/zinc/84/34/20/950843420.db2.gz NHNJXQNDGSEMND-SNVBAGLBSA-N -1 1 383.416 1.096 20 0 GDADMM CC1(C)C[C@@H](NC(=O)[C@H]2CC23CC3)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575638682 950844880 /nfs/dbraw/zinc/84/48/80/950844880.db2.gz IITKGFCCGWMZLD-QWHCGFSZSA-N -1 1 382.472 1.568 20 0 GDADMM CC1(C)C[C@@H](NC(=O)[C@H]2CC23CC3)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575638682 950844900 /nfs/dbraw/zinc/84/49/00/950844900.db2.gz IITKGFCCGWMZLD-QWHCGFSZSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)C(C)(C)C2(C)C)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576221126 950846864 /nfs/dbraw/zinc/84/68/64/950846864.db2.gz SZOYWPNZZUQTRX-DGCLKSJQSA-N -1 1 384.488 1.988 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)C(C)(C)C2(C)C)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576221126 950846889 /nfs/dbraw/zinc/84/68/89/950846889.db2.gz SZOYWPNZZUQTRX-DGCLKSJQSA-N -1 1 384.488 1.988 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)n1 ZINC001573887683 950849004 /nfs/dbraw/zinc/84/90/04/950849004.db2.gz ILVFUCJACFEWBY-NSHDSACASA-N -1 1 386.460 1.548 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)n1 ZINC001573887683 950849027 /nfs/dbraw/zinc/84/90/27/950849027.db2.gz ILVFUCJACFEWBY-NSHDSACASA-N -1 1 386.460 1.548 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cc2c([nH]1)CCC2 ZINC001575934426 950855310 /nfs/dbraw/zinc/85/53/10/950855310.db2.gz RGUNVWBNPZYOED-CMPLNLGQSA-N -1 1 379.428 1.189 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc2c([nH]1)CCC2 ZINC001575934426 950855331 /nfs/dbraw/zinc/85/53/31/950855331.db2.gz RGUNVWBNPZYOED-CMPLNLGQSA-N -1 1 379.428 1.189 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ocnc1C(F)F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574767695 950862523 /nfs/dbraw/zinc/86/25/23/950862523.db2.gz PSLZNWJFUDKLFV-ZETCQYMHSA-N -1 1 379.331 1.155 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ocnc1C(F)F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574767695 950862542 /nfs/dbraw/zinc/86/25/42/950862542.db2.gz PSLZNWJFUDKLFV-ZETCQYMHSA-N -1 1 379.331 1.155 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cccc2cc[nH]c21 ZINC001575935708 950886697 /nfs/dbraw/zinc/88/66/97/950886697.db2.gz AMIULGCHQDGZIY-SMDDNHRTSA-N -1 1 389.423 1.853 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cccc2cc[nH]c21 ZINC001575935708 950886715 /nfs/dbraw/zinc/88/67/15/950886715.db2.gz AMIULGCHQDGZIY-SMDDNHRTSA-N -1 1 389.423 1.853 20 0 GDADMM CC(C)CCCC(=O)NC[C@@]1(C)CN(c2nccnc2-c2nnn[n-]2)CCO1 ZINC001574190056 950903452 /nfs/dbraw/zinc/90/34/52/950903452.db2.gz UNOPODQUOWCPIZ-SFHVURJKSA-N -1 1 388.476 1.195 20 0 GDADMM CC(C)CCCC(=O)NC[C@@]1(C)CN(c2nccnc2-c2nn[n-]n2)CCO1 ZINC001574190056 950903468 /nfs/dbraw/zinc/90/34/68/950903468.db2.gz UNOPODQUOWCPIZ-SFHVURJKSA-N -1 1 388.476 1.195 20 0 GDADMM CC1(C)C[C@H](NC(=O)CCCF)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575640832 950903970 /nfs/dbraw/zinc/90/39/70/950903970.db2.gz LENSGQQFINWDQY-GFCCVEGCSA-N -1 1 376.440 1.518 20 0 GDADMM CC1(C)C[C@@H](NC(=O)CCCF)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575641379 950918766 /nfs/dbraw/zinc/91/87/66/950918766.db2.gz ORDDUNBFDVGDKX-LBPRGKRZSA-N -1 1 376.440 1.518 20 0 GDADMM CC1(C)C[C@@H](NC(=O)CCCF)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575641379 950918779 /nfs/dbraw/zinc/91/87/79/950918779.db2.gz ORDDUNBFDVGDKX-LBPRGKRZSA-N -1 1 376.440 1.518 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ocnc1C1CC1 ZINC001575936615 950921930 /nfs/dbraw/zinc/92/19/30/950921930.db2.gz GQXIWVDIVLKVIS-ONGXEEELSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ocnc1C1CC1 ZINC001575936615 950921941 /nfs/dbraw/zinc/92/19/41/950921941.db2.gz GQXIWVDIVLKVIS-ONGXEEELSA-N -1 1 381.400 1.237 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccccc1 ZINC001573895443 950936903 /nfs/dbraw/zinc/93/69/03/950936903.db2.gz BCEZBKORXRDASD-OAHLLOKOSA-N -1 1 392.467 1.720 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccccc1 ZINC001573895443 950936921 /nfs/dbraw/zinc/93/69/21/950936921.db2.gz BCEZBKORXRDASD-OAHLLOKOSA-N -1 1 392.467 1.720 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N1CCC[C@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001575642529 950947193 /nfs/dbraw/zinc/94/71/93/950947193.db2.gz IDDASPGCUHHVLP-BFUOFWGJSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N1CCC[C@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001575642529 950947213 /nfs/dbraw/zinc/94/72/13/950947213.db2.gz IDDASPGCUHHVLP-BFUOFWGJSA-N -1 1 382.472 1.522 20 0 GDADMM Cc1[nH]nc(S(=O)(=O)N(C)C2CCN(Cc3ccccc3)CC2)c1C(=O)[O-] ZINC000380526495 971704242 /nfs/dbraw/zinc/70/42/42/971704242.db2.gz DHFHDWWLPBOGPL-UHFFFAOYSA-N -1 1 392.481 1.701 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc(Cl)no1 ZINC001575937666 950955920 /nfs/dbraw/zinc/95/59/20/950955920.db2.gz LEAZSTDAYXRLKF-JGVFFNPUSA-N -1 1 375.780 1.013 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc(Cl)no1 ZINC001575937666 950955950 /nfs/dbraw/zinc/95/59/50/950955950.db2.gz LEAZSTDAYXRLKF-JGVFFNPUSA-N -1 1 375.780 1.013 20 0 GDADMM C[C@@H]1CN(C(=O)C2(F)CCCC2)CC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576229065 950959433 /nfs/dbraw/zinc/95/94/33/950959433.db2.gz IQNFJBPEFFWSRL-CHWSQXEVSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@@H]1CN(C(=O)C2(F)CCCC2)CC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576229065 950959449 /nfs/dbraw/zinc/95/94/49/950959449.db2.gz IQNFJBPEFFWSRL-CHWSQXEVSA-N -1 1 388.451 1.836 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573899529 950977487 /nfs/dbraw/zinc/97/74/87/950977487.db2.gz CCEZUABBOZSXSC-UHFFFAOYSA-N -1 1 384.366 1.284 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573899529 950977505 /nfs/dbraw/zinc/97/75/05/950977505.db2.gz CCEZUABBOZSXSC-UHFFFAOYSA-N -1 1 384.366 1.284 20 0 GDADMM O=C([O-])C[C@H]1CCCCN1C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O ZINC001594984591 951011101 /nfs/dbraw/zinc/01/11/01/951011101.db2.gz NKEDHHCKFOUPEJ-CYBMUJFWSA-N -1 1 396.465 1.646 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575019464 951036726 /nfs/dbraw/zinc/03/67/26/951036726.db2.gz TXZCBBOTEBMUQS-SECBINFHSA-N -1 1 392.345 1.906 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575019464 951036737 /nfs/dbraw/zinc/03/67/37/951036737.db2.gz TXZCBBOTEBMUQS-SECBINFHSA-N -1 1 392.345 1.906 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)c(C(F)F)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001575021555 951063062 /nfs/dbraw/zinc/06/30/62/951063062.db2.gz DASWSTXTDJAJED-MRVPVSSYSA-N -1 1 392.345 1.964 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)c(C(F)F)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001575021555 951063073 /nfs/dbraw/zinc/06/30/73/951063073.db2.gz DASWSTXTDJAJED-MRVPVSSYSA-N -1 1 392.345 1.964 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)c(Cl)c1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575022024 951066287 /nfs/dbraw/zinc/06/62/87/951066287.db2.gz GEJBCXBHEKTVIW-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)c(Cl)c1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575022024 951066300 /nfs/dbraw/zinc/06/63/00/951066300.db2.gz GEJBCXBHEKTVIW-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)s1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575023905 951084548 /nfs/dbraw/zinc/08/45/48/951084548.db2.gz RUCLTLYGAVPEAJ-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)s1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575023905 951084556 /nfs/dbraw/zinc/08/45/56/951084556.db2.gz RUCLTLYGAVPEAJ-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)cc1Cl)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575024931 951119935 /nfs/dbraw/zinc/11/99/35/951119935.db2.gz QABCOVXYYOXWEO-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)cc1Cl)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575024931 951119940 /nfs/dbraw/zinc/11/99/40/951119940.db2.gz QABCOVXYYOXWEO-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2cnccc2c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575027505 951157930 /nfs/dbraw/zinc/15/79/30/951157930.db2.gz QXPMXDDBLPOCBN-NSHDSACASA-N -1 1 375.396 1.435 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2cnccc2c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575027505 951157938 /nfs/dbraw/zinc/15/79/38/951157938.db2.gz QXPMXDDBLPOCBN-NSHDSACASA-N -1 1 375.396 1.435 20 0 GDADMM C[C@H](CNC(=O)c1cccc(Cl)c1F)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575028355 951172187 /nfs/dbraw/zinc/17/21/87/951172187.db2.gz VRELTTPXMNYEQK-VIFPVBQESA-N -1 1 390.810 1.349 20 0 GDADMM C[C@H](CNC(=O)c1ccccc1C(F)(F)F)Nc1nccnc1-c1nnn[n-]1 ZINC001575028975 951180107 /nfs/dbraw/zinc/18/01/07/951180107.db2.gz QOTOYWXGCYGQQC-SECBINFHSA-N -1 1 392.345 1.906 20 0 GDADMM C[C@H](CNC(=O)c1ccccc1C(F)(F)F)Nc1nccnc1-c1nn[n-]n1 ZINC001575028975 951180113 /nfs/dbraw/zinc/18/01/13/951180113.db2.gz QOTOYWXGCYGQQC-SECBINFHSA-N -1 1 392.345 1.906 20 0 GDADMM C[C@@H](CNC(=O)c1ccnc(C2CC2)c1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575036464 951296091 /nfs/dbraw/zinc/29/60/91/951296091.db2.gz SFNJBNIJJVTUCG-LLVKDONJSA-N -1 1 379.428 1.407 20 0 GDADMM C[C@@H](CNC(=O)c1ccnc(C2CC2)c1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575036464 951296102 /nfs/dbraw/zinc/29/61/02/951296102.db2.gz SFNJBNIJJVTUCG-LLVKDONJSA-N -1 1 379.428 1.407 20 0 GDADMM C[C@H](CNC(=O)c1ccsn1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575039665 951331168 /nfs/dbraw/zinc/33/11/68/951331168.db2.gz RJJJRUKFTRDAKV-ZCFIWIBFSA-N -1 1 384.878 1.688 20 0 GDADMM C[C@H](CNC(=O)c1cn(C)c2ccccc12)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575042583 951367167 /nfs/dbraw/zinc/36/71/67/951367167.db2.gz KZRVWHWHWLEYAI-LBPRGKRZSA-N -1 1 391.439 1.626 20 0 GDADMM C[C@H](CNC(=O)c1cn(C)c2ccccc12)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575042583 951367187 /nfs/dbraw/zinc/36/71/87/951367187.db2.gz KZRVWHWHWLEYAI-LBPRGKRZSA-N -1 1 391.439 1.626 20 0 GDADMM C[C@H](CNC(=O)c1cnc(C2CC2)s1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575042892 951372249 /nfs/dbraw/zinc/37/22/49/951372249.db2.gz CXMZGGMGAQOAKV-SECBINFHSA-N -1 1 385.457 1.245 20 0 GDADMM C[C@H](CNC(=O)c1cnc(C2CC2)s1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575042892 951372260 /nfs/dbraw/zinc/37/22/60/951372260.db2.gz CXMZGGMGAQOAKV-SECBINFHSA-N -1 1 385.457 1.245 20 0 GDADMM CC(C)(CCNC(=O)NCCN1CCN(Cc2ccccc2)CC1)C(=O)[O-] ZINC000390574776 951382158 /nfs/dbraw/zinc/38/21/58/951382158.db2.gz WLFKZHHUYFCSHG-UHFFFAOYSA-N -1 1 376.501 1.604 20 0 GDADMM C[C@H](CNC(=O)c1cncnc1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575045617 951430079 /nfs/dbraw/zinc/43/00/79/951430079.db2.gz FLRIXUNQPZFKLW-SSDOTTSWSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@H](CNC(=O)c1cnn(C)c1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575052088 951459557 /nfs/dbraw/zinc/45/95/57/951459557.db2.gz CWWKJOHSTNLADV-SSDOTTSWSA-N -1 1 381.853 1.188 20 0 GDADMM C[C@H](CNC(=O)c1cnn(C)c1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575052088 951459561 /nfs/dbraw/zinc/45/95/61/951459561.db2.gz CWWKJOHSTNLADV-SSDOTTSWSA-N -1 1 381.853 1.188 20 0 GDADMM C[C@H](CNC(=O)c1cnn(C(C)(C)C)c1)CNc1nccnc1-c1nnn[n-]1 ZINC001575054110 951485989 /nfs/dbraw/zinc/48/59/89/951485989.db2.gz VRPPBSYZAQVWKM-NSHDSACASA-N -1 1 384.448 1.086 20 0 GDADMM C[C@H](CNC(=O)c1cnn(C(C)(C)C)c1)CNc1nccnc1-c1nn[n-]n1 ZINC001575054110 951485995 /nfs/dbraw/zinc/48/59/95/951485995.db2.gz VRPPBSYZAQVWKM-NSHDSACASA-N -1 1 384.448 1.086 20 0 GDADMM C[C@H](CNC(=O)c1coc(C(C)(C)C)n1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575055882 951514014 /nfs/dbraw/zinc/51/40/14/951514014.db2.gz BGIDHRDWKZDHAX-JTQLQIEISA-N -1 1 385.432 1.420 20 0 GDADMM C[C@H](CNC(=O)c1coc(C(C)(C)C)n1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575055882 951514021 /nfs/dbraw/zinc/51/40/21/951514021.db2.gz BGIDHRDWKZDHAX-JTQLQIEISA-N -1 1 385.432 1.420 20 0 GDADMM C[C@H](CNC(=O)c1coc(C(F)F)c1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575057381 951528566 /nfs/dbraw/zinc/52/85/66/951528566.db2.gz OVJPEAYAZKPDQY-QMMMGPOBSA-N -1 1 378.343 1.665 20 0 GDADMM C[C@H](CNC(=O)c1coc(C(F)F)c1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575057381 951528580 /nfs/dbraw/zinc/52/85/80/951528580.db2.gz OVJPEAYAZKPDQY-QMMMGPOBSA-N -1 1 378.343 1.665 20 0 GDADMM C[C@@H](CNC(=O)c1coc(C(F)F)c1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575057727 951529642 /nfs/dbraw/zinc/52/96/42/951529642.db2.gz PVXRQLYJNDIYJQ-QMMMGPOBSA-N -1 1 378.343 1.442 20 0 GDADMM C[C@@H](CNC(=O)c1cscn1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575060606 951542420 /nfs/dbraw/zinc/54/24/20/951542420.db2.gz AUYRXNGHJRDYRM-LURJTMIESA-N -1 1 384.878 1.911 20 0 GDADMM C[C@@H](CNC(=O)c1cscn1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575060606 951542430 /nfs/dbraw/zinc/54/24/30/951542430.db2.gz AUYRXNGHJRDYRM-LURJTMIESA-N -1 1 384.878 1.911 20 0 GDADMM C[C@H](CNC(=O)c1n[nH]cc1F)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001575060982 951554633 /nfs/dbraw/zinc/55/46/33/951554633.db2.gz KPDSGLABPMTZPN-RXMQYKEDSA-N -1 1 385.816 1.094 20 0 GDADMM C[C@H](CNC(=O)c1ncc(Cl)s1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575061835 951561701 /nfs/dbraw/zinc/56/17/01/951561701.db2.gz PWIHNUBBIJTHQB-ZETCQYMHSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@H](CNC(=O)c1ncc(Cl)s1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575061835 951561710 /nfs/dbraw/zinc/56/17/10/951561710.db2.gz PWIHNUBBIJTHQB-ZETCQYMHSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1ncc(Cl)s1)CNc1nccnc1-c1nnn[n-]1 ZINC001575062866 951574528 /nfs/dbraw/zinc/57/45/28/951574528.db2.gz ZVBYXFNFRRXSNE-SSDOTTSWSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1ncc(Cl)s1)CNc1nccnc1-c1nn[n-]n1 ZINC001575062866 951574538 /nfs/dbraw/zinc/57/45/38/951574538.db2.gz ZVBYXFNFRRXSNE-SSDOTTSWSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1sccc1C(F)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575070446 951650108 /nfs/dbraw/zinc/65/01/08/951650108.db2.gz QJFXIWDHRLLPSC-ZETCQYMHSA-N -1 1 380.384 1.886 20 0 GDADMM C[C@@H](CNC(=O)c1sccc1C(F)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575070446 951650114 /nfs/dbraw/zinc/65/01/14/951650114.db2.gz QJFXIWDHRLLPSC-ZETCQYMHSA-N -1 1 380.384 1.886 20 0 GDADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)[C@H]1CC12CCCC2)C1CC1 ZINC001575128598 952068012 /nfs/dbraw/zinc/06/80/12/952068012.db2.gz JVXJAHPRGCDPHA-ACJLOTCBSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)[C@H]1CC12CCCC2)C1CC1 ZINC001575128598 952068018 /nfs/dbraw/zinc/06/80/18/952068018.db2.gz JVXJAHPRGCDPHA-ACJLOTCBSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)CCc1ccccc1)C1CC1 ZINC001575128678 952070909 /nfs/dbraw/zinc/07/09/09/952070909.db2.gz LXSNHVZFXFPLIG-FQEVSTJZSA-N -1 1 392.467 1.986 20 0 GDADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)CCc1ccccc1)C1CC1 ZINC001575128678 952070919 /nfs/dbraw/zinc/07/09/19/952070919.db2.gz LXSNHVZFXFPLIG-FQEVSTJZSA-N -1 1 392.467 1.986 20 0 GDADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)C1=CCCCCC1)C1CC1 ZINC001575132702 952096958 /nfs/dbraw/zinc/09/69/58/952096958.db2.gz AGAHODFEFJGGPS-IBGZPJMESA-N -1 1 382.472 1.666 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cc2c([nH]1)CCCC2 ZINC001575134250 952109421 /nfs/dbraw/zinc/10/94/21/952109421.db2.gz NBSCXSKOGGOCKD-LLVKDONJSA-N -1 1 381.444 1.436 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cc2c([nH]1)CCCC2 ZINC001575134250 952109427 /nfs/dbraw/zinc/10/94/27/952109427.db2.gz NBSCXSKOGGOCKD-LLVKDONJSA-N -1 1 381.444 1.436 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)CCCc1cccnc1 ZINC001575136348 952124365 /nfs/dbraw/zinc/12/43/65/952124365.db2.gz UYILSWMKVPFZSS-ZDUSSCGKSA-N -1 1 381.444 1.333 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)CCCc1cccnc1 ZINC001575136348 952124373 /nfs/dbraw/zinc/12/43/73/952124373.db2.gz UYILSWMKVPFZSS-ZDUSSCGKSA-N -1 1 381.444 1.333 20 0 GDADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)[C@@H]1CCC(F)(F)C1)C1CC1 ZINC001575137460 952139401 /nfs/dbraw/zinc/13/94/01/952139401.db2.gz ZMTPNPLAPCIVGU-QLJPJBMISA-N -1 1 392.414 1.211 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001575144213 952164266 /nfs/dbraw/zinc/16/42/66/952164266.db2.gz USUFOIZGBXHVFN-ZQGRQUNCSA-N -1 1 392.467 1.315 20 0 GDADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)[C@H]1CC12CCCC2)C1CC1 ZINC001575146075 952191161 /nfs/dbraw/zinc/19/11/61/952191161.db2.gz HHYGUZMOOZNSDM-FZKQIMNGSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)[C@H]1CC12CCCC2)C1CC1 ZINC001575146075 952191163 /nfs/dbraw/zinc/19/11/63/952191163.db2.gz HHYGUZMOOZNSDM-FZKQIMNGSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)Cc1ccccc1Cl ZINC001575152971 952205770 /nfs/dbraw/zinc/20/57/70/952205770.db2.gz BMTXMEFTQRGHAB-NSHDSACASA-N -1 1 386.847 1.812 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)Cc1ccccc1Cl ZINC001575152971 952205775 /nfs/dbraw/zinc/20/57/75/952205775.db2.gz BMTXMEFTQRGHAB-NSHDSACASA-N -1 1 386.847 1.812 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)Cc1cccc(Cl)c1 ZINC001575153365 952208389 /nfs/dbraw/zinc/20/83/89/952208389.db2.gz GSEIDBSYVZWTSM-LLVKDONJSA-N -1 1 386.847 1.812 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)Cc1cccc(Cl)c1 ZINC001575153365 952208393 /nfs/dbraw/zinc/20/83/93/952208393.db2.gz GSEIDBSYVZWTSM-LLVKDONJSA-N -1 1 386.847 1.812 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)CC(C)(C)C(F)(F)F ZINC001575154298 952220113 /nfs/dbraw/zinc/22/01/13/952220113.db2.gz QXOJAIZUDMJLNA-VIFPVBQESA-N -1 1 386.382 1.894 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)CC(C)(C)C(F)(F)F ZINC001575154298 952220121 /nfs/dbraw/zinc/22/01/21/952220121.db2.gz QXOJAIZUDMJLNA-VIFPVBQESA-N -1 1 386.382 1.894 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cscc1Cl ZINC001575154474 952223081 /nfs/dbraw/zinc/22/30/81/952223081.db2.gz DXBBGRMLXFOWNG-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cscc1Cl ZINC001575154474 952223088 /nfs/dbraw/zinc/22/30/88/952223088.db2.gz DXBBGRMLXFOWNG-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)C1CC2(CCC2)C1)C1CC1 ZINC001575154447 952223614 /nfs/dbraw/zinc/22/36/14/952223614.db2.gz DOCWVUBGLUTDLD-GOSISDBHSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)C1CC2(CCC2)C1)C1CC1 ZINC001575154447 952223621 /nfs/dbraw/zinc/22/36/21/952223621.db2.gz DOCWVUBGLUTDLD-GOSISDBHSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)c1cc(Cl)c[nH]1)C1CC1 ZINC001575155148 952235677 /nfs/dbraw/zinc/23/56/77/952235677.db2.gz WRWPPYBJQMIUOZ-MRXNPFEDSA-N -1 1 387.835 1.649 20 0 GDADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)c1cc(Cl)c[nH]1)C1CC1 ZINC001575155148 952235682 /nfs/dbraw/zinc/23/56/82/952235682.db2.gz WRWPPYBJQMIUOZ-MRXNPFEDSA-N -1 1 387.835 1.649 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cc2n(c1)CCCC2 ZINC001575155292 952236178 /nfs/dbraw/zinc/23/61/78/952236178.db2.gz KSMQCUYITOFDMP-GFCCVEGCSA-N -1 1 381.444 1.367 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cc2n(c1)CCCC2 ZINC001575155292 952236185 /nfs/dbraw/zinc/23/61/85/952236185.db2.gz KSMQCUYITOFDMP-GFCCVEGCSA-N -1 1 381.444 1.367 20 0 GDADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)[C@H]1CCC1(F)F)C1CC1 ZINC001575155557 952242062 /nfs/dbraw/zinc/24/20/62/952242062.db2.gz NGORSZVRNCSFPD-BMIGLBTASA-N -1 1 378.387 1.399 20 0 GDADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)[C@H]1CCC1(F)F)C1CC1 ZINC001575155557 952242067 /nfs/dbraw/zinc/24/20/67/952242067.db2.gz NGORSZVRNCSFPD-BMIGLBTASA-N -1 1 378.387 1.399 20 0 GDADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)Cc1cncs1)C1CC1 ZINC001575156549 952253269 /nfs/dbraw/zinc/25/32/69/952253269.db2.gz UHFBWLUADCSDOG-INIZCTEOSA-N -1 1 385.457 1.053 20 0 GDADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)Cc1cncs1)C1CC1 ZINC001575156549 952253272 /nfs/dbraw/zinc/25/32/72/952253272.db2.gz UHFBWLUADCSDOG-INIZCTEOSA-N -1 1 385.457 1.053 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1ccc(C(F)F)o1 ZINC001575156610 952254995 /nfs/dbraw/zinc/25/49/95/952254995.db2.gz GORIQSFUHKLVFZ-QMMMGPOBSA-N -1 1 378.343 1.760 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc(C(F)F)o1 ZINC001575156610 952254999 /nfs/dbraw/zinc/25/49/99/952254999.db2.gz GORIQSFUHKLVFZ-QMMMGPOBSA-N -1 1 378.343 1.760 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CC(C)(C)CC(F)F ZINC001575158370 952270921 /nfs/dbraw/zinc/27/09/21/952270921.db2.gz TVXBHSRQULRGCM-SNVBAGLBSA-N -1 1 382.419 1.987 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CC(C)(C)CC(F)F ZINC001575158370 952270927 /nfs/dbraw/zinc/27/09/27/952270927.db2.gz TVXBHSRQULRGCM-SNVBAGLBSA-N -1 1 382.419 1.987 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1scnc1Cl ZINC001575164228 952290381 /nfs/dbraw/zinc/29/03/81/952290381.db2.gz CDDRMMWDRLQCCW-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1scnc1Cl ZINC001575164228 952290388 /nfs/dbraw/zinc/29/03/88/952290388.db2.gz CDDRMMWDRLQCCW-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)c1n[nH]cc1F ZINC001575165306 952305999 /nfs/dbraw/zinc/30/59/99/952305999.db2.gz NHOMAAOFNXGPDA-RXMQYKEDSA-N -1 1 385.816 1.411 20 0 GDADMM C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1Cl)N(C)C(=O)c1ncccc1[O-] ZINC001575166723 952328703 /nfs/dbraw/zinc/32/87/03/952328703.db2.gz XSTFKHWIZFYVPU-VIFPVBQESA-N -1 1 388.819 1.588 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)[C@@]1(C)CCOC1 ZINC001575174662 952377079 /nfs/dbraw/zinc/37/70/79/952377079.db2.gz BWGIPUPNQULAGO-CLAHSXSESA-N -1 1 385.881 1.662 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)[C@@]1(C)CCOC1 ZINC001575174662 952377083 /nfs/dbraw/zinc/37/70/83/952377083.db2.gz BWGIPUPNQULAGO-CLAHSXSESA-N -1 1 385.881 1.662 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)C[C@@H]1CCC(F)(F)C1 ZINC001575174753 952378766 /nfs/dbraw/zinc/37/87/66/952378766.db2.gz SFSKKBQABXWDIE-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)C[C@@H]1CCC(F)(F)C1 ZINC001575174753 952378770 /nfs/dbraw/zinc/37/87/70/952378770.db2.gz SFSKKBQABXWDIE-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)C[C@H]1CCCO1 ZINC001575178170 952405389 /nfs/dbraw/zinc/40/53/89/952405389.db2.gz LBMCVDQEJMUHBP-DTWKUNHWSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)C[C@H]1CCCO1 ZINC001575178170 952405392 /nfs/dbraw/zinc/40/53/92/952405392.db2.gz LBMCVDQEJMUHBP-DTWKUNHWSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)Cc1c[nH]c2ccccc12 ZINC001575178231 952405496 /nfs/dbraw/zinc/40/54/96/952405496.db2.gz LMAHFBHSWWAXRS-GFCCVEGCSA-N -1 1 391.439 1.640 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)Cc1c[nH]c2ccccc12 ZINC001575178231 952405499 /nfs/dbraw/zinc/40/54/99/952405499.db2.gz LMAHFBHSWWAXRS-GFCCVEGCSA-N -1 1 391.439 1.640 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)Cc1cccc(Cl)c1 ZINC001575180576 952418784 /nfs/dbraw/zinc/41/87/84/952418784.db2.gz WJGZTEXFHVSSSE-LLVKDONJSA-N -1 1 386.847 1.812 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)Cc1cccc(Cl)c1 ZINC001575180576 952418790 /nfs/dbraw/zinc/41/87/90/952418790.db2.gz WJGZTEXFHVSSSE-LLVKDONJSA-N -1 1 386.847 1.812 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N(C)CCCN(C)c1nccnc1-c1nnn[n-]1 ZINC001575189741 952458422 /nfs/dbraw/zinc/45/84/22/952458422.db2.gz PUVPOKRNDDTHJM-CYBMUJFWSA-N -1 1 384.444 1.413 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N(C)CCCN(C)c1nccnc1-c1nn[n-]n1 ZINC001575189741 952458423 /nfs/dbraw/zinc/45/84/23/952458423.db2.gz PUVPOKRNDDTHJM-CYBMUJFWSA-N -1 1 384.444 1.413 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575196146 952474317 /nfs/dbraw/zinc/47/43/17/952474317.db2.gz DTLHVCYSOZWDFZ-YWPYICTPSA-N -1 1 382.428 1.387 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575196146 952474323 /nfs/dbraw/zinc/47/43/23/952474323.db2.gz DTLHVCYSOZWDFZ-YWPYICTPSA-N -1 1 382.428 1.387 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001575196609 952475917 /nfs/dbraw/zinc/47/59/17/952475917.db2.gz HSPKMPLGRBTSEW-FZMZJTMJSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001575196609 952475919 /nfs/dbraw/zinc/47/59/19/952475919.db2.gz HSPKMPLGRBTSEW-FZMZJTMJSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C ZINC001575197248 952482057 /nfs/dbraw/zinc/48/20/57/952482057.db2.gz RBRMIAHOKNBAAE-YWPYICTPSA-N -1 1 382.428 1.069 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C ZINC001575197248 952482060 /nfs/dbraw/zinc/48/20/60/952482060.db2.gz RBRMIAHOKNBAAE-YWPYICTPSA-N -1 1 382.428 1.069 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575197585 952485799 /nfs/dbraw/zinc/48/57/99/952485799.db2.gz XFESIHHZIJUCHB-QWHCGFSZSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575197585 952485805 /nfs/dbraw/zinc/48/58/05/952485805.db2.gz XFESIHHZIJUCHB-QWHCGFSZSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001575197722 952487258 /nfs/dbraw/zinc/48/72/58/952487258.db2.gz YVFDBCRTQOLUGE-LALPHHSUSA-N -1 1 382.428 1.069 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001575197722 952487260 /nfs/dbraw/zinc/48/72/60/952487260.db2.gz YVFDBCRTQOLUGE-LALPHHSUSA-N -1 1 382.428 1.069 20 0 GDADMM CC[C@H]1C[C@H](C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)CCO1 ZINC001571122276 952524758 /nfs/dbraw/zinc/52/47/58/952524758.db2.gz IDXWSFUMHDFOKR-YPMHNXCESA-N -1 1 376.486 1.434 20 0 GDADMM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cscc1Cl ZINC001571122322 952525066 /nfs/dbraw/zinc/52/50/66/952525066.db2.gz IQOALZHBKDSAEW-QMMMGPOBSA-N -1 1 376.833 1.380 20 0 GDADMM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cscc1Cl ZINC001571122322 952525071 /nfs/dbraw/zinc/52/50/71/952525071.db2.gz IQOALZHBKDSAEW-QMMMGPOBSA-N -1 1 376.833 1.380 20 0 GDADMM Cc1nsc(N2C[C@@H](C)[C@H](NC(=O)c3ccns3)C2)c1-c1nn[n-]n1 ZINC001571122778 952526740 /nfs/dbraw/zinc/52/67/40/952526740.db2.gz KUWDYQVJECHBOY-VXNVDRBHSA-N -1 1 376.471 1.343 20 0 GDADMM O=C(Cn1c(=O)c(-c2nn[n-]n2)ccc1-c1ccc(Cl)s1)N1CCC1 ZINC001571123665 952530481 /nfs/dbraw/zinc/53/04/81/952530481.db2.gz SZAQMTWCPBLPPG-UHFFFAOYSA-N -1 1 376.829 1.643 20 0 GDADMM Cc1nsc(N2CCC[C@@H](CNC(=O)[C@@H]3CCOC3)C2)c1-c1nn[n-]n1 ZINC001571127417 952555333 /nfs/dbraw/zinc/55/53/33/952555333.db2.gz GXDSQMIWBDCFLL-NWDGAFQWSA-N -1 1 377.474 1.001 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575213550 952558665 /nfs/dbraw/zinc/55/86/65/952558665.db2.gz AFGLNIKOPHGXII-JTQLQIEISA-N -1 1 380.403 1.423 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575213554 952558751 /nfs/dbraw/zinc/55/87/51/952558751.db2.gz AFGLNIKOPHGXII-SNVBAGLBSA-N -1 1 380.403 1.423 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2)c1cccnc1 ZINC001571128182 952564948 /nfs/dbraw/zinc/56/49/48/952564948.db2.gz QCFUZNHSWHRKMJ-KGLIPLIRSA-N -1 1 377.412 1.205 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2)c1cccnc1 ZINC001571128182 952564952 /nfs/dbraw/zinc/56/49/52/952564952.db2.gz QCFUZNHSWHRKMJ-KGLIPLIRSA-N -1 1 377.412 1.205 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575215023 952567550 /nfs/dbraw/zinc/56/75/50/952567550.db2.gz RYHGOCUXXJDSIY-AOOOYVTPSA-N -1 1 380.403 1.645 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575215023 952567556 /nfs/dbraw/zinc/56/75/56/952567556.db2.gz RYHGOCUXXJDSIY-AOOOYVTPSA-N -1 1 380.403 1.645 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NCC1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575215033 952567573 /nfs/dbraw/zinc/56/75/73/952567573.db2.gz RYHOHODAXWYNSC-UHFFFAOYSA-N -1 1 380.403 1.645 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NCC1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575215033 952567576 /nfs/dbraw/zinc/56/75/76/952567576.db2.gz RYHOHODAXWYNSC-UHFFFAOYSA-N -1 1 380.403 1.645 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001571129209 952573166 /nfs/dbraw/zinc/57/31/66/952573166.db2.gz AYXHOZSWBAYRPJ-SNVBAGLBSA-N -1 1 378.387 1.495 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001571129209 952573168 /nfs/dbraw/zinc/57/31/68/952573168.db2.gz AYXHOZSWBAYRPJ-SNVBAGLBSA-N -1 1 378.387 1.495 20 0 GDADMM Cc1c(NCc2cccc(-c3nnn[n-]3)n2)cccc1N1C(=O)CCNC1=O ZINC001571130135 952578487 /nfs/dbraw/zinc/57/84/87/952578487.db2.gz ORTJRGXBXKOWKV-UHFFFAOYSA-N -1 1 378.396 1.629 20 0 GDADMM Cc1c(NCc2cccc(-c3nn[n-]n3)n2)cccc1N1C(=O)CCNC1=O ZINC001571130135 952578489 /nfs/dbraw/zinc/57/84/89/952578489.db2.gz ORTJRGXBXKOWKV-UHFFFAOYSA-N -1 1 378.396 1.629 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@@H](CNC(=O)[C@H]3C[C@@H]3C(F)F)C2)n1 ZINC001571130010 952578824 /nfs/dbraw/zinc/57/88/24/952578824.db2.gz MUHHHEVPZIXLPB-VLEAKVRGSA-N -1 1 378.387 1.173 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@@H](CNC(=O)[C@H]3C[C@@H]3C(F)F)C2)n1 ZINC001571130010 952578827 /nfs/dbraw/zinc/57/88/27/952578827.db2.gz MUHHHEVPZIXLPB-VLEAKVRGSA-N -1 1 378.387 1.173 20 0 GDADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)C2(C(F)F)CCC2)C1 ZINC001571130201 952579643 /nfs/dbraw/zinc/57/96/43/952579643.db2.gz PNCZYEASFMAEBF-JTQLQIEISA-N -1 1 378.387 1.129 20 0 GDADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)C2(C(F)F)CCC2)C1 ZINC001571130201 952579645 /nfs/dbraw/zinc/57/96/45/952579645.db2.gz PNCZYEASFMAEBF-JTQLQIEISA-N -1 1 378.387 1.129 20 0 GDADMM Cc1ccc(C(=O)N2C[C@@H](CNc3cncc(-c4nnn[n-]4)n3)[C@H](C)C2)cc1 ZINC001571133955 952583338 /nfs/dbraw/zinc/58/33/38/952583338.db2.gz ABCDTZSOCMRJGG-UKRRQHHQSA-N -1 1 378.440 1.785 20 0 GDADMM Cc1ccc(C(=O)N2C[C@@H](CNc3cncc(-c4nn[n-]n4)n3)[C@H](C)C2)cc1 ZINC001571133955 952583344 /nfs/dbraw/zinc/58/33/44/952583344.db2.gz ABCDTZSOCMRJGG-UKRRQHHQSA-N -1 1 378.440 1.785 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@H]2CNc2nccnc2-c2nnn[n-]2)c(C)c1 ZINC001571133976 952583995 /nfs/dbraw/zinc/58/39/95/952583995.db2.gz AKTORIOVZPZWGK-AWEZNQCLSA-N -1 1 378.440 1.990 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@H]2CNc2nccnc2-c2nn[n-]n2)c(C)c1 ZINC001571133976 952584000 /nfs/dbraw/zinc/58/40/00/952584000.db2.gz AKTORIOVZPZWGK-AWEZNQCLSA-N -1 1 378.440 1.990 20 0 GDADMM Cc1cccc(CC(=O)N[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571134057 952585025 /nfs/dbraw/zinc/58/50/25/952585025.db2.gz CTWMKCMMDMVAGH-HNNXBMFYSA-N -1 1 378.440 1.293 20 0 GDADMM Cc1cccc(CC(=O)N[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571134057 952585029 /nfs/dbraw/zinc/58/50/29/952585029.db2.gz CTWMKCMMDMVAGH-HNNXBMFYSA-N -1 1 378.440 1.293 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001571134223 952587147 /nfs/dbraw/zinc/58/71/47/952587147.db2.gz CGGPQCFLJOXOND-AWEZNQCLSA-N -1 1 378.440 1.647 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001571134223 952587150 /nfs/dbraw/zinc/58/71/50/952587150.db2.gz CGGPQCFLJOXOND-AWEZNQCLSA-N -1 1 378.440 1.647 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001571134438 952590355 /nfs/dbraw/zinc/59/03/55/952590355.db2.gz GHSOSJBIUMUSQJ-DZGCQCFKSA-N -1 1 378.440 1.863 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001571134438 952590359 /nfs/dbraw/zinc/59/03/59/952590359.db2.gz GHSOSJBIUMUSQJ-DZGCQCFKSA-N -1 1 378.440 1.863 20 0 GDADMM CCc1cccc(CC(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571134641 952592555 /nfs/dbraw/zinc/59/25/55/952592555.db2.gz IXAIRMTWHSOOCM-OAHLLOKOSA-N -1 1 378.440 1.157 20 0 GDADMM CCN(C(=O)C1C=CC=CC=C1)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571134651 952593166 /nfs/dbraw/zinc/59/31/66/952593166.db2.gz JKAAXTJZGHUBHN-OAHLLOKOSA-N -1 1 378.440 1.382 20 0 GDADMM CCN(C(=O)C1C=CC=CC=C1)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571134651 952593168 /nfs/dbraw/zinc/59/31/68/952593168.db2.gz JKAAXTJZGHUBHN-OAHLLOKOSA-N -1 1 378.440 1.382 20 0 GDADMM Cc1cc(C)cc(C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571134797 952595104 /nfs/dbraw/zinc/59/51/04/952595104.db2.gz LPGAACWTLSTOTO-CZUORRHYSA-N -1 1 378.440 1.846 20 0 GDADMM Cc1cc(C)cc(C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571134797 952595111 /nfs/dbraw/zinc/59/51/11/952595111.db2.gz LPGAACWTLSTOTO-CZUORRHYSA-N -1 1 378.440 1.846 20 0 GDADMM Cc1cccc(C(=O)N[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)[C@H]2C)c1 ZINC001571135000 952598587 /nfs/dbraw/zinc/59/85/87/952598587.db2.gz PPBPAUYEWWWSPB-DZGCQCFKSA-N -1 1 378.440 1.752 20 0 GDADMM Cc1cccc(C(=O)N[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)[C@H]2C)c1 ZINC001571135000 952598590 /nfs/dbraw/zinc/59/85/90/952598590.db2.gz PPBPAUYEWWWSPB-DZGCQCFKSA-N -1 1 378.440 1.752 20 0 GDADMM Cc1cccc(C(=O)N[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)[C@H]2C)c1 ZINC001571135006 952598740 /nfs/dbraw/zinc/59/87/40/952598740.db2.gz PPBPAUYEWWWSPB-ZFWWWQNUSA-N -1 1 378.440 1.752 20 0 GDADMM Cc1cccc(C(=O)N[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)[C@H]2C)c1 ZINC001571135006 952598743 /nfs/dbraw/zinc/59/87/43/952598743.db2.gz PPBPAUYEWWWSPB-ZFWWWQNUSA-N -1 1 378.440 1.752 20 0 GDADMM CCc1ccccc1CC(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571135312 952602655 /nfs/dbraw/zinc/60/26/55/952602655.db2.gz TZNXLRYROFODCU-HNNXBMFYSA-N -1 1 378.440 1.157 20 0 GDADMM CCc1ccccc1CC(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571135312 952602660 /nfs/dbraw/zinc/60/26/60/952602660.db2.gz TZNXLRYROFODCU-HNNXBMFYSA-N -1 1 378.440 1.157 20 0 GDADMM Cc1cccc(C(=O)N[C@@H]2CC[C@H](CNc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571135499 952605003 /nfs/dbraw/zinc/60/50/03/952605003.db2.gz ZEFJMWYRZFWXAD-DZGCQCFKSA-N -1 1 378.440 1.976 20 0 GDADMM Cc1cccc(C(=O)N[C@@H]2CC[C@H](CNc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571135499 952605004 /nfs/dbraw/zinc/60/50/04/952605004.db2.gz ZEFJMWYRZFWXAD-DZGCQCFKSA-N -1 1 378.440 1.976 20 0 GDADMM CC(C)(C)OC(=O)NCCCOC1CCN([C@@H]2CCN(CC(=O)[O-])C2=O)CC1 ZINC001602905668 971848693 /nfs/dbraw/zinc/84/86/93/971848693.db2.gz XFAMOMBEXHLPDB-OAHLLOKOSA-N -1 1 399.488 1.068 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C1C=CC=CC=C1 ZINC001571142759 952646291 /nfs/dbraw/zinc/64/62/91/952646291.db2.gz XQYAMCGMSORMQY-OAHLLOKOSA-N -1 1 378.440 1.430 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C1C=CC=CC=C1 ZINC001571142759 952646295 /nfs/dbraw/zinc/64/62/95/952646295.db2.gz XQYAMCGMSORMQY-OAHLLOKOSA-N -1 1 378.440 1.430 20 0 GDADMM O=C(CCc1ccccn1)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571146669 952651050 /nfs/dbraw/zinc/65/10/50/952651050.db2.gz LFLXKVZMUSTMBY-CQSZACIVSA-N -1 1 379.428 1.087 20 0 GDADMM O=C(CCc1ccccn1)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571146669 952651056 /nfs/dbraw/zinc/65/10/56/952651056.db2.gz LFLXKVZMUSTMBY-CQSZACIVSA-N -1 1 379.428 1.087 20 0 GDADMM O=C(c1ccc[nH]1)N1C[C@@H]2CCC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@@H]2C1 ZINC001571146716 952652059 /nfs/dbraw/zinc/65/20/59/952652059.db2.gz LTGZKWPBSVCVNB-YNEHKIRRSA-N -1 1 379.428 1.338 20 0 GDADMM O=C(c1ccc[nH]1)N1C[C@@H]2CCC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@@H]2C1 ZINC001571146716 952652064 /nfs/dbraw/zinc/65/20/64/952652064.db2.gz LTGZKWPBSVCVNB-YNEHKIRRSA-N -1 1 379.428 1.338 20 0 GDADMM C[C@@H](C(=O)N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1)c1cccnc1 ZINC001571146940 952653971 /nfs/dbraw/zinc/65/39/71/952653971.db2.gz DHLDNAXSQHFMQR-GFCCVEGCSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@@H](C(=O)N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1)c1cccnc1 ZINC001571146940 952653977 /nfs/dbraw/zinc/65/39/77/952653977.db2.gz DHLDNAXSQHFMQR-GFCCVEGCSA-N -1 1 379.428 1.258 20 0 GDADMM CN(C)c1ccc(C(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001571146998 952655633 /nfs/dbraw/zinc/65/56/33/952655633.db2.gz FZUBVRDQNWYECE-CYBMUJFWSA-N -1 1 379.428 1.049 20 0 GDADMM CN(C)c1ccc(C(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571146998 952655636 /nfs/dbraw/zinc/65/56/36/952655636.db2.gz FZUBVRDQNWYECE-CYBMUJFWSA-N -1 1 379.428 1.049 20 0 GDADMM O=C(c1ccccn1)N1CCC[C@@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571147046 952656660 /nfs/dbraw/zinc/65/66/60/952656660.db2.gz RAJBGIGCSRPZTP-ZDUSSCGKSA-N -1 1 379.428 1.406 20 0 GDADMM O=C(c1ccccn1)N1CCC[C@@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571147046 952656663 /nfs/dbraw/zinc/65/66/63/952656663.db2.gz RAJBGIGCSRPZTP-ZDUSSCGKSA-N -1 1 379.428 1.406 20 0 GDADMM Cc1[nH]ccc1C(=O)N[C@@]12CCC[C@@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571147354 952660476 /nfs/dbraw/zinc/66/04/76/952660476.db2.gz LALWVASUNGRMIA-KBXCAEBGSA-N -1 1 379.428 1.225 20 0 GDADMM Cc1[nH]ccc1C(=O)N[C@@]12CCC[C@@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001571147354 952660479 /nfs/dbraw/zinc/66/04/79/952660479.db2.gz LALWVASUNGRMIA-KBXCAEBGSA-N -1 1 379.428 1.225 20 0 GDADMM Cc1c[nH]cc1C(=O)NC1CC2(C1)CC(Nc1nccnc1-c1nnn[n-]1)C2 ZINC001571147760 952663660 /nfs/dbraw/zinc/66/36/60/952663660.db2.gz POVCXIOOFVSIRF-UHFFFAOYSA-N -1 1 379.428 1.446 20 0 GDADMM Cc1c[nH]cc1C(=O)NC1CC2(C1)CC(Nc1nccnc1-c1nn[n-]n1)C2 ZINC001571147760 952663663 /nfs/dbraw/zinc/66/36/63/952663663.db2.gz POVCXIOOFVSIRF-UHFFFAOYSA-N -1 1 379.428 1.446 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001571148211 952665450 /nfs/dbraw/zinc/66/54/50/952665450.db2.gz VOPLBLQAXAIUQO-KGLIPLIRSA-N -1 1 379.428 1.177 20 0 GDADMM Cc1nsc(N[C@@H](C)[C@H]2CN(C(=O)C(C)(C)C)CCO2)c1-c1nn[n-]n1 ZINC001571152878 952684164 /nfs/dbraw/zinc/68/41/64/952684164.db2.gz KCWBCIACJXIDAB-GXSJLCMTSA-N -1 1 379.490 1.706 20 0 GDADMM COC(=O)c1cccc2c1OCCN(C(=O)c1ccc(-c3nnn[n-]3)nc1)C2 ZINC001571153614 952687647 /nfs/dbraw/zinc/68/76/47/952687647.db2.gz RZQYDMINCCEHCD-UHFFFAOYSA-N -1 1 380.364 1.083 20 0 GDADMM COC(=O)c1cccc2c1OCCN(C(=O)c1ccc(-c3nn[n-]n3)nc1)C2 ZINC001571153614 952687650 /nfs/dbraw/zinc/68/76/50/952687650.db2.gz RZQYDMINCCEHCD-UHFFFAOYSA-N -1 1 380.364 1.083 20 0 GDADMM CCOc1cccc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571154863 952690237 /nfs/dbraw/zinc/69/02/37/952690237.db2.gz CPNYJIWMYUVBEQ-JOCQHMNTSA-N -1 1 380.412 1.428 20 0 GDADMM CCOc1cccc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571154863 952690241 /nfs/dbraw/zinc/69/02/41/952690241.db2.gz CPNYJIWMYUVBEQ-JOCQHMNTSA-N -1 1 380.412 1.428 20 0 GDADMM Cc1cncc(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C[C@H]2C)c1 ZINC001571156539 952702610 /nfs/dbraw/zinc/70/26/10/952702610.db2.gz DBYAVXWKHMYFFL-OCCSQVGLSA-N -1 1 379.428 1.465 20 0 GDADMM Cc1cncc(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C[C@H]2C)c1 ZINC001571156539 952702611 /nfs/dbraw/zinc/70/26/11/952702611.db2.gz DBYAVXWKHMYFFL-OCCSQVGLSA-N -1 1 379.428 1.465 20 0 GDADMM Cc1cncc(C(=O)N2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C(C)(C)C2)c1 ZINC001571156674 952703192 /nfs/dbraw/zinc/70/31/92/952703192.db2.gz GSYXKLCNLBOLPZ-CQSZACIVSA-N -1 1 379.428 1.323 20 0 GDADMM Cc1cncc(C(=O)N2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C(C)(C)C2)c1 ZINC001571156674 952703197 /nfs/dbraw/zinc/70/31/97/952703197.db2.gz GSYXKLCNLBOLPZ-CQSZACIVSA-N -1 1 379.428 1.323 20 0 GDADMM Cc1ccncc1C(=O)NC[C@@H]1CCCCN1c1nccnc1-c1nnn[n-]1 ZINC001571157073 952705452 /nfs/dbraw/zinc/70/54/52/952705452.db2.gz MACLYIPCPAJRQU-ZDUSSCGKSA-N -1 1 379.428 1.149 20 0 GDADMM Cc1ccncc1C(=O)NC[C@@H]1CCCCN1c1nccnc1-c1nn[n-]n1 ZINC001571157073 952705457 /nfs/dbraw/zinc/70/54/57/952705457.db2.gz MACLYIPCPAJRQU-ZDUSSCGKSA-N -1 1 379.428 1.149 20 0 GDADMM Cc1ccncc1C(=O)N[C@@H]1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571157095 952705872 /nfs/dbraw/zinc/70/58/72/952705872.db2.gz MJKWNGVSIASCEM-TZMCWYRMSA-N -1 1 379.428 1.371 20 0 GDADMM Cc1ccncc1C(=O)N[C@@H]1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571157095 952705883 /nfs/dbraw/zinc/70/58/83/952705883.db2.gz MJKWNGVSIASCEM-TZMCWYRMSA-N -1 1 379.428 1.371 20 0 GDADMM Cc1cccc(C(=O)N[C@@H]2CCCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)n1 ZINC001571157259 952707199 /nfs/dbraw/zinc/70/71/99/952707199.db2.gz ODISZVDBJJOGBJ-CYBMUJFWSA-N -1 1 379.428 1.067 20 0 GDADMM Cc1cccc(C(=O)N[C@@H]2CCCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)n1 ZINC001571157259 952707204 /nfs/dbraw/zinc/70/72/04/952707204.db2.gz ODISZVDBJJOGBJ-CYBMUJFWSA-N -1 1 379.428 1.067 20 0 GDADMM Cc1cc(C(=O)NC[C@H]2CCCCN2c2ccc(-c3nnn[n-]3)nn2)ccn1 ZINC001571157262 952707245 /nfs/dbraw/zinc/70/72/45/952707245.db2.gz OFNVPDFKZDUHGL-CQSZACIVSA-N -1 1 379.428 1.149 20 0 GDADMM Cc1cc(C(=O)NC[C@H]2CCCCN2c2ccc(-c3nn[n-]n3)nn2)ccn1 ZINC001571157262 952707249 /nfs/dbraw/zinc/70/72/49/952707249.db2.gz OFNVPDFKZDUHGL-CQSZACIVSA-N -1 1 379.428 1.149 20 0 GDADMM COc1ccccc1C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)[C@H]1C ZINC001571157846 952708489 /nfs/dbraw/zinc/70/84/89/952708489.db2.gz ABLLEKPHZDQTJT-DGCLKSJQSA-N -1 1 380.412 1.380 20 0 GDADMM COc1ccccc1C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)[C@H]1C ZINC001571157846 952708491 /nfs/dbraw/zinc/70/84/91/952708491.db2.gz ABLLEKPHZDQTJT-DGCLKSJQSA-N -1 1 380.412 1.380 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@H]2CN(C)c2nccnc2-c2nnn[n-]2)cn1 ZINC001571157992 952709046 /nfs/dbraw/zinc/70/90/46/952709046.db2.gz POGMUDUNHHJJNH-AWEZNQCLSA-N -1 1 379.428 1.101 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@H]2CN(C)c2nccnc2-c2nn[n-]n2)cn1 ZINC001571157992 952709048 /nfs/dbraw/zinc/70/90/48/952709048.db2.gz POGMUDUNHHJJNH-AWEZNQCLSA-N -1 1 379.428 1.101 20 0 GDADMM Cc1cc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(c2nccnc2-c2nnn[n-]2)C3)co1 ZINC001571158521 952712105 /nfs/dbraw/zinc/71/21/05/952712105.db2.gz KKVGDQNWHJKRNB-UBHSHLNASA-N -1 1 380.412 1.345 20 0 GDADMM Cc1cc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(c2nccnc2-c2nn[n-]n2)C3)co1 ZINC001571158521 952712109 /nfs/dbraw/zinc/71/21/09/952712109.db2.gz KKVGDQNWHJKRNB-UBHSHLNASA-N -1 1 380.412 1.345 20 0 GDADMM Cc1ccc(C(=O)N[C@]23CCC[C@@H]2N(c2nccnc2-c2nnn[n-]2)CC3)o1 ZINC001571158721 952713098 /nfs/dbraw/zinc/71/30/98/952713098.db2.gz NIQDUQHGWHZRAB-UGSOOPFHSA-N -1 1 380.412 1.490 20 0 GDADMM Cc1ccc(C(=O)N[C@]23CCC[C@@H]2N(c2nccnc2-c2nn[n-]n2)CC3)o1 ZINC001571158721 952713103 /nfs/dbraw/zinc/71/31/03/952713103.db2.gz NIQDUQHGWHZRAB-UGSOOPFHSA-N -1 1 380.412 1.490 20 0 GDADMM Cc1ccc(C(=O)NC[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)nc1C ZINC001571158845 952715059 /nfs/dbraw/zinc/71/50/59/952715059.db2.gz SFJXVBOJJNUQGX-BETUJISGSA-N -1 1 379.428 1.289 20 0 GDADMM Cc1ccc(C(=O)NC[C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)nc1C ZINC001571158845 952715064 /nfs/dbraw/zinc/71/50/64/952715064.db2.gz SFJXVBOJJNUQGX-BETUJISGSA-N -1 1 379.428 1.289 20 0 GDADMM Cc1cncc(C(=O)N2C[C@H](C)[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571159609 952721316 /nfs/dbraw/zinc/72/13/16/952721316.db2.gz VAZGJBZVDBAYSO-GXTWGEPZSA-N -1 1 379.428 1.180 20 0 GDADMM Cc1cncc(C(=O)N2C[C@H](C)[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571159609 952721320 /nfs/dbraw/zinc/72/13/20/952721320.db2.gz VAZGJBZVDBAYSO-GXTWGEPZSA-N -1 1 379.428 1.180 20 0 GDADMM O=C(N[C@@H]1CC[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@@H]2C1)c1ccoc1 ZINC001571160102 952724194 /nfs/dbraw/zinc/72/41/94/952724194.db2.gz DQQFOFNIAGGQCD-KWCYVHTRSA-N -1 1 380.412 1.285 20 0 GDADMM O=C(N[C@@H]1CC[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@@H]2C1)c1ccoc1 ZINC001571160102 952724196 /nfs/dbraw/zinc/72/41/96/952724196.db2.gz DQQFOFNIAGGQCD-KWCYVHTRSA-N -1 1 380.412 1.285 20 0 GDADMM Cc1cc(C(=O)NC[C@@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)cc(C)n1 ZINC001571160302 952724895 /nfs/dbraw/zinc/72/48/95/952724895.db2.gz YFYNLLACZJABGA-AWEZNQCLSA-N -1 1 379.428 1.067 20 0 GDADMM Cc1cc(C(=O)NC[C@@H]2CCCN2c2cncc(-c3nn[n-]n3)n2)cc(C)n1 ZINC001571160302 952724898 /nfs/dbraw/zinc/72/48/98/952724898.db2.gz YFYNLLACZJABGA-AWEZNQCLSA-N -1 1 379.428 1.067 20 0 GDADMM O=C(Cc1ccoc1)N[C@]12CCC[C@@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001571160503 952726202 /nfs/dbraw/zinc/72/62/02/952726202.db2.gz INQPVEYOQPICHU-KSSFIOAISA-N -1 1 380.412 1.110 20 0 GDADMM O=C(Cc1ccoc1)N[C@]12CCC[C@@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001571160503 952726203 /nfs/dbraw/zinc/72/62/03/952726203.db2.gz INQPVEYOQPICHU-KSSFIOAISA-N -1 1 380.412 1.110 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)nc1C ZINC001571160371 952726435 /nfs/dbraw/zinc/72/64/35/952726435.db2.gz ZOYPYSRELKYNMC-CYBMUJFWSA-N -1 1 379.428 1.385 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)nc1C ZINC001571160371 952726441 /nfs/dbraw/zinc/72/64/41/952726441.db2.gz ZOYPYSRELKYNMC-CYBMUJFWSA-N -1 1 379.428 1.385 20 0 GDADMM O=C(Cc1ccco1)N[C@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571161624 952734095 /nfs/dbraw/zinc/73/40/95/952734095.db2.gz YZANPOCBAHBRHM-KDOFPFPSSA-N -1 1 380.412 1.110 20 0 GDADMM O=C(Cc1ccco1)N[C@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001571161624 952734099 /nfs/dbraw/zinc/73/40/99/952734099.db2.gz YZANPOCBAHBRHM-KDOFPFPSSA-N -1 1 380.412 1.110 20 0 GDADMM O=C([C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571171715 952795646 /nfs/dbraw/zinc/79/56/46/952795646.db2.gz DQQYZAORNFNMER-CEEZGCBMSA-N -1 1 380.456 1.209 20 0 GDADMM O=C([C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571171715 952795650 /nfs/dbraw/zinc/79/56/50/952795650.db2.gz DQQYZAORNFNMER-CEEZGCBMSA-N -1 1 380.456 1.209 20 0 GDADMM O=C(NC[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)[C@@H]1CCCC12CC2 ZINC001571171759 952797044 /nfs/dbraw/zinc/79/70/44/952797044.db2.gz GENCCEPMPHEJLE-FQUUOJAGSA-N -1 1 380.456 1.035 20 0 GDADMM O=C(NC[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)[C@@H]1CCCC12CC2 ZINC001571171759 952797048 /nfs/dbraw/zinc/79/70/48/952797048.db2.gz GENCCEPMPHEJLE-FQUUOJAGSA-N -1 1 380.456 1.035 20 0 GDADMM O=C(N1CC[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1)C1(C2CC2)CC1 ZINC001571171882 952798166 /nfs/dbraw/zinc/79/81/66/952798166.db2.gz HNTNFTXGMXDINW-SFHVURJKSA-N -1 1 380.456 1.276 20 0 GDADMM O=C(N1CC[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1)C1(C2CC2)CC1 ZINC001571171882 952798171 /nfs/dbraw/zinc/79/81/71/952798171.db2.gz HNTNFTXGMXDINW-SFHVURJKSA-N -1 1 380.456 1.276 20 0 GDADMM O=C(c1ocnc1C1CC1)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571178918 952849167 /nfs/dbraw/zinc/84/91/67/952849167.db2.gz YBTMHPAAIPMZFA-LLVKDONJSA-N -1 1 381.400 1.239 20 0 GDADMM O=C(c1ocnc1C1CC1)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571178918 952849173 /nfs/dbraw/zinc/84/91/73/952849173.db2.gz YBTMHPAAIPMZFA-LLVKDONJSA-N -1 1 381.400 1.239 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001571179897 952856477 /nfs/dbraw/zinc/85/64/77/952856477.db2.gz JPDGVKRUQAJIMS-ZIAGYGMSSA-N -1 1 381.444 1.004 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001571179897 952856480 /nfs/dbraw/zinc/85/64/80/952856480.db2.gz JPDGVKRUQAJIMS-ZIAGYGMSSA-N -1 1 381.444 1.004 20 0 GDADMM C[C@H](C(=O)N[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C)n1cccc1 ZINC001571181393 952864896 /nfs/dbraw/zinc/86/48/96/952864896.db2.gz WAZVBOBQELBSQN-OCCSQVGLSA-N -1 1 381.444 1.050 20 0 GDADMM C[C@H](C(=O)N[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C)n1cccc1 ZINC001571181393 952864902 /nfs/dbraw/zinc/86/49/02/952864902.db2.gz WAZVBOBQELBSQN-OCCSQVGLSA-N -1 1 381.444 1.050 20 0 GDADMM CCCc1[nH]ccc1C(=O)N1C[C@@H](C)[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571183593 952879672 /nfs/dbraw/zinc/87/96/72/952879672.db2.gz FKCRDRWGDREQOX-RISCZKNCSA-N -1 1 381.444 1.510 20 0 GDADMM CCCc1[nH]ccc1C(=O)N1C[C@@H](C)[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571183593 952879677 /nfs/dbraw/zinc/87/96/77/952879677.db2.gz FKCRDRWGDREQOX-RISCZKNCSA-N -1 1 381.444 1.510 20 0 GDADMM C[C@H]1CCN(C(=O)Cc2ccc[nH]2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571183730 952882601 /nfs/dbraw/zinc/88/26/01/952882601.db2.gz IFIXREJNEFKZGZ-QWHCGFSZSA-N -1 1 381.444 1.124 20 0 GDADMM C[C@H]1CCN(C(=O)Cc2ccc[nH]2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571183730 952882602 /nfs/dbraw/zinc/88/26/02/952882602.db2.gz IFIXREJNEFKZGZ-QWHCGFSZSA-N -1 1 381.444 1.124 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N(C)[C@H]2CCCN(C(=O)c3ccc[nH]3)C2)n1 ZINC001571183820 952883496 /nfs/dbraw/zinc/88/34/96/952883496.db2.gz KEPKXGRADOWJFK-LBPRGKRZSA-N -1 1 381.444 1.288 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N(C)[C@H]2CCCN(C(=O)c3ccc[nH]3)C2)n1 ZINC001571183820 952883500 /nfs/dbraw/zinc/88/35/00/952883500.db2.gz KEPKXGRADOWJFK-LBPRGKRZSA-N -1 1 381.444 1.288 20 0 GDADMM CCc1[nH]ccc1C(=O)N[C@@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571184281 952890567 /nfs/dbraw/zinc/89/05/67/952890567.db2.gz VKPKFNYCSMMWTO-VXGBXAGGSA-N -1 1 381.444 1.700 20 0 GDADMM CCc1[nH]ccc1C(=O)N[C@@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571184281 952890571 /nfs/dbraw/zinc/89/05/71/952890571.db2.gz VKPKFNYCSMMWTO-VXGBXAGGSA-N -1 1 381.444 1.700 20 0 GDADMM CCc1nc(NC[C@@H]2CCC[C@@H]2NC(=O)c2ccc[nH]2)cc(-c2nnn[n-]2)n1 ZINC001571184468 952893363 /nfs/dbraw/zinc/89/33/63/952893363.db2.gz ZZLIGZVKGVONGO-RYUDHWBXSA-N -1 1 381.444 1.558 20 0 GDADMM CCc1nc(NC[C@@H]2CCC[C@@H]2NC(=O)c2ccc[nH]2)cc(-c2nn[n-]n2)n1 ZINC001571184468 952893369 /nfs/dbraw/zinc/89/33/69/952893369.db2.gz ZZLIGZVKGVONGO-RYUDHWBXSA-N -1 1 381.444 1.558 20 0 GDADMM Cc1[nH]ccc1C(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001571184793 952896526 /nfs/dbraw/zinc/89/65/26/952896526.db2.gz DBYIKTBTRQFTAD-DGCLKSJQSA-N -1 1 381.444 1.389 20 0 GDADMM Cc1[nH]ccc1C(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001571184793 952896530 /nfs/dbraw/zinc/89/65/30/952896530.db2.gz DBYIKTBTRQFTAD-DGCLKSJQSA-N -1 1 381.444 1.389 20 0 GDADMM CCn1cccc1C(=O)N[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC1(C)C ZINC001571185680 952902809 /nfs/dbraw/zinc/90/28/09/952902809.db2.gz OATGZVUSLDHNAS-ZDUSSCGKSA-N -1 1 381.444 1.123 20 0 GDADMM CCn1cccc1C(=O)N[C@H]1CN(c2nccnc2-c2nn[n-]n2)CC1(C)C ZINC001571185680 952902815 /nfs/dbraw/zinc/90/28/15/952902815.db2.gz OATGZVUSLDHNAS-ZDUSSCGKSA-N -1 1 381.444 1.123 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCN(C(=O)[C@H](C)n3cccc3)C2)n1 ZINC001571186282 952907006 /nfs/dbraw/zinc/90/70/06/952907006.db2.gz VKPOXNHBMBJJNO-UONOGXRCSA-N -1 1 381.444 1.431 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCN(C(=O)[C@H](C)n3cccc3)C2)n1 ZINC001571186282 952907009 /nfs/dbraw/zinc/90/70/09/952907009.db2.gz VKPOXNHBMBJJNO-UONOGXRCSA-N -1 1 381.444 1.431 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCC[C@@H](NC(=O)c3ccn(C)c3)C2)n1 ZINC001571186326 952907057 /nfs/dbraw/zinc/90/70/57/952907057.db2.gz WNOICLFVPAVFOJ-ZIAGYGMSSA-N -1 1 381.444 1.457 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCC[C@@H](NC(=O)c3ccn(C)c3)C2)n1 ZINC001571186326 952907064 /nfs/dbraw/zinc/90/70/64/952907064.db2.gz WNOICLFVPAVFOJ-ZIAGYGMSSA-N -1 1 381.444 1.457 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@H]2CC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)[nH]1 ZINC001571188347 952913118 /nfs/dbraw/zinc/91/31/18/952913118.db2.gz IZSQPNDIJQZRCT-OLZOCXBDSA-N -1 1 381.444 1.034 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)[C@H]2C)[nH]1 ZINC001571188332 952913598 /nfs/dbraw/zinc/91/35/98/952913598.db2.gz IQQXZSJCKFTZSH-QWHCGFSZSA-N -1 1 381.444 1.389 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)[C@H]2C)[nH]1 ZINC001571188332 952913602 /nfs/dbraw/zinc/91/36/02/952913602.db2.gz IQQXZSJCKFTZSH-QWHCGFSZSA-N -1 1 381.444 1.389 20 0 GDADMM Cc1cc[nH]c1C(=O)N(C)C1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001571188843 952920945 /nfs/dbraw/zinc/92/09/45/952920945.db2.gz NZHFZTSGNZPKDD-UHFFFAOYSA-N -1 1 381.444 1.789 20 0 GDADMM Cc1cc[nH]c1C(=O)N(C)C1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001571188843 952920948 /nfs/dbraw/zinc/92/09/48/952920948.db2.gz NZHFZTSGNZPKDD-UHFFFAOYSA-N -1 1 381.444 1.789 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)c(C)n1C ZINC001571189098 952923488 /nfs/dbraw/zinc/92/34/88/952923488.db2.gz SBCICRWLAMZWQF-CYBMUJFWSA-N -1 1 381.444 1.329 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)c(C)n1C ZINC001571189098 952923492 /nfs/dbraw/zinc/92/34/92/952923492.db2.gz SBCICRWLAMZWQF-CYBMUJFWSA-N -1 1 381.444 1.329 20 0 GDADMM COC(=O)c1ccccc1CCNC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001571193928 952954067 /nfs/dbraw/zinc/95/40/67/952954067.db2.gz BDZGGKISNXALQZ-UHFFFAOYSA-N -1 1 382.380 1.035 20 0 GDADMM C[C@H](C(=O)Nc1ccc([C@H](O)C(F)(F)F)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001571194518 952964020 /nfs/dbraw/zinc/96/40/20/952964020.db2.gz OHUOMFKTAUBRFR-XCBNKYQSSA-N -1 1 382.306 1.254 20 0 GDADMM O=C(Nc1cccc(C(=O)N2CCC(O)CC2)c1)c1coc(-c2nnn[n-]2)c1 ZINC001571194503 952964492 /nfs/dbraw/zinc/96/44/92/952964492.db2.gz OFRBAJNYWVYTEH-UHFFFAOYSA-N -1 1 382.380 1.309 20 0 GDADMM O=C(Nc1cccc(C(=O)N2CCC(O)CC2)c1)c1coc(-c2nn[n-]n2)c1 ZINC001571194503 952964496 /nfs/dbraw/zinc/96/44/96/952964496.db2.gz OFRBAJNYWVYTEH-UHFFFAOYSA-N -1 1 382.380 1.309 20 0 GDADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@@H](c1cnn(C)c1)C(F)(F)F ZINC001571195090 952973842 /nfs/dbraw/zinc/97/38/42/952973842.db2.gz YCNAXBFYVSHHMH-JTQLQIEISA-N -1 1 382.306 1.043 20 0 GDADMM Cc1cc(C(=O)NC[C@@H]2CCCN2c2nccnc2-c2nnn[n-]2)ccc1F ZINC001571196145 952980100 /nfs/dbraw/zinc/98/01/00/952980100.db2.gz HRCHCWSARNMVCY-ZDUSSCGKSA-N -1 1 382.403 1.503 20 0 GDADMM Cc1cc(C(=O)NC[C@@H]2CCCN2c2nccnc2-c2nn[n-]n2)ccc1F ZINC001571196145 952980106 /nfs/dbraw/zinc/98/01/06/952980106.db2.gz HRCHCWSARNMVCY-ZDUSSCGKSA-N -1 1 382.403 1.503 20 0 GDADMM Cc1c(F)cccc1C(=O)NC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1 ZINC001571196453 952981550 /nfs/dbraw/zinc/98/15/50/952981550.db2.gz KRPUGQMLNIQYLJ-GFCCVEGCSA-N -1 1 382.403 1.503 20 0 GDADMM Cc1c(F)cccc1C(=O)NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1 ZINC001571196453 952981553 /nfs/dbraw/zinc/98/15/53/952981553.db2.gz KRPUGQMLNIQYLJ-GFCCVEGCSA-N -1 1 382.403 1.503 20 0 GDADMM Cc1c(F)cccc1C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571196485 952982108 /nfs/dbraw/zinc/98/21/08/952982108.db2.gz KZYFCUKFDLQDNF-LBPRGKRZSA-N -1 1 382.403 1.243 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)c3ccc(F)cc3)[C@H]2C)n1 ZINC001571196833 952985090 /nfs/dbraw/zinc/98/50/90/952985090.db2.gz OUAPWWGTCPDOHB-RISCZKNCSA-N -1 1 382.403 1.501 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)c3ccc(F)cc3)[C@H]2C)n1 ZINC001571196833 952985093 /nfs/dbraw/zinc/98/50/93/952985093.db2.gz OUAPWWGTCPDOHB-RISCZKNCSA-N -1 1 382.403 1.501 20 0 GDADMM Cc1ccc(F)cc1C(=O)N(C)C1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571197090 952986025 /nfs/dbraw/zinc/98/60/25/952986025.db2.gz RIDLSJLIRLVDLQ-UHFFFAOYSA-N -1 1 382.403 1.819 20 0 GDADMM Cc1ccc(F)cc1C(=O)N(C)C1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571197090 952986030 /nfs/dbraw/zinc/98/60/30/952986030.db2.gz RIDLSJLIRLVDLQ-UHFFFAOYSA-N -1 1 382.403 1.819 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)c3cccc(F)c3C)C2)n1 ZINC001571197195 952987088 /nfs/dbraw/zinc/98/70/88/952987088.db2.gz UASNSTOKJYCCCC-LBPRGKRZSA-N -1 1 382.403 1.739 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)c3cccc(F)c3C)C2)n1 ZINC001571197195 952987091 /nfs/dbraw/zinc/98/70/91/952987091.db2.gz UASNSTOKJYCCCC-LBPRGKRZSA-N -1 1 382.403 1.739 20 0 GDADMM CN(C(=O)Cc1ccccc1F)C1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571197337 952988409 /nfs/dbraw/zinc/98/84/09/952988409.db2.gz XAHDMPDCPZHWFU-UHFFFAOYSA-N -1 1 382.403 1.440 20 0 GDADMM CN(C(=O)Cc1ccccc1F)C1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571197337 952988415 /nfs/dbraw/zinc/98/84/15/952988415.db2.gz XAHDMPDCPZHWFU-UHFFFAOYSA-N -1 1 382.403 1.440 20 0 GDADMM C[C@@H]1CN(C(=O)c2cccc(F)c2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571197304 952988582 /nfs/dbraw/zinc/98/85/82/952988582.db2.gz VXEDDKLYEJBQNF-DGCLKSJQSA-N -1 1 382.403 1.616 20 0 GDADMM C[C@@H]1CN(C(=O)c2cccc(F)c2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571197304 952988585 /nfs/dbraw/zinc/98/85/85/952988585.db2.gz VXEDDKLYEJBQNF-DGCLKSJQSA-N -1 1 382.403 1.616 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@@H]2C)ccc1F ZINC001571197367 952989799 /nfs/dbraw/zinc/98/97/99/952989799.db2.gz YAGPUOXPXDTNFQ-FZMZJTMJSA-N -1 1 382.403 1.819 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@@H]2C)ccc1F ZINC001571197367 952989804 /nfs/dbraw/zinc/98/98/04/952989804.db2.gz YAGPUOXPXDTNFQ-FZMZJTMJSA-N -1 1 382.403 1.819 20 0 GDADMM Cc1cc(F)cc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@H]2C)c1 ZINC001571197432 952989869 /nfs/dbraw/zinc/98/98/69/952989869.db2.gz ZVGLYBZJZXANRN-BXUZGUMPSA-N -1 1 382.403 1.241 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@H](N(C)c3nc(C)cc(-c4nnn[n-]4)n3)C2)o1 ZINC001571199117 952996087 /nfs/dbraw/zinc/99/60/87/952996087.db2.gz LXSYNSFSMQPAGQ-ZDUSSCGKSA-N -1 1 382.428 1.146 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@H](N(C)c3nc(C)cc(-c4nn[n-]n4)n3)C2)o1 ZINC001571199117 952996090 /nfs/dbraw/zinc/99/60/90/952996090.db2.gz LXSYNSFSMQPAGQ-ZDUSSCGKSA-N -1 1 382.428 1.146 20 0 GDADMM CCc1nc(NC2CC(CNC(=O)c3coc(C)c3)C2)cc(-c2nnn[n-]2)n1 ZINC001571199429 952999862 /nfs/dbraw/zinc/99/98/62/952999862.db2.gz QNKPFIJVUXNIHX-UHFFFAOYSA-N -1 1 382.428 1.741 20 0 GDADMM CCc1nc(NC2CC(CNC(=O)c3coc(C)c3)C2)cc(-c2nn[n-]n2)n1 ZINC001571199429 952999868 /nfs/dbraw/zinc/99/98/68/952999868.db2.gz QNKPFIJVUXNIHX-UHFFFAOYSA-N -1 1 382.428 1.741 20 0 GDADMM CCCc1occc1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C ZINC001571199761 953004098 /nfs/dbraw/zinc/00/40/98/953004098.db2.gz BLMABEBKAAGAKC-YPMHNXCESA-N -1 1 382.428 1.599 20 0 GDADMM CCCc1occc1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C ZINC001571199761 953004103 /nfs/dbraw/zinc/00/41/03/953004103.db2.gz BLMABEBKAAGAKC-YPMHNXCESA-N -1 1 382.428 1.599 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1ccc(CF)cc1 ZINC001571200495 953009665 /nfs/dbraw/zinc/00/96/65/953009665.db2.gz JCRICPRXVARKAW-MQMHXKEQSA-N -1 1 382.403 1.747 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1ccc(CF)cc1 ZINC001571200495 953009668 /nfs/dbraw/zinc/00/96/68/953009668.db2.gz JCRICPRXVARKAW-MQMHXKEQSA-N -1 1 382.403 1.747 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)c(C)o1 ZINC001571200487 953009744 /nfs/dbraw/zinc/00/97/44/953009744.db2.gz CLBRSKUFLRYDNG-OCCSQVGLSA-N -1 1 382.428 1.877 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)c(C)o1 ZINC001571200487 953009745 /nfs/dbraw/zinc/00/97/45/953009745.db2.gz CLBRSKUFLRYDNG-OCCSQVGLSA-N -1 1 382.428 1.877 20 0 GDADMM Cc1coc(C(=O)NC[C@@H]2CCCCCN2c2ccc(-c3nnn[n-]3)nn2)c1 ZINC001571200579 953010935 /nfs/dbraw/zinc/01/09/35/953010935.db2.gz FACGZMIDFGBGIJ-ZDUSSCGKSA-N -1 1 382.428 1.737 20 0 GDADMM Cc1coc(C(=O)NC[C@@H]2CCCCCN2c2ccc(-c3nn[n-]n3)nn2)c1 ZINC001571200579 953010937 /nfs/dbraw/zinc/01/09/37/953010937.db2.gz FACGZMIDFGBGIJ-ZDUSSCGKSA-N -1 1 382.428 1.737 20 0 GDADMM CC[C@H]1CN(C(=O)c2ccoc2C)CC[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571201105 953015442 /nfs/dbraw/zinc/01/54/42/953015442.db2.gz MQQZPMMGKCHRBZ-JSGCOSHPSA-N -1 1 382.428 1.911 20 0 GDADMM CC[C@H]1CN(C(=O)c2ccoc2C)CC[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571201105 953015446 /nfs/dbraw/zinc/01/54/46/953015446.db2.gz MQQZPMMGKCHRBZ-JSGCOSHPSA-N -1 1 382.428 1.911 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H](CCNc3cnc(-c4nnn[n-]4)cn3)C2)c(C)o1 ZINC001571201348 953017336 /nfs/dbraw/zinc/01/73/36/953017336.db2.gz KKMBELQYINKMRN-CYBMUJFWSA-N -1 1 382.428 1.831 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H](CCNc3cnc(-c4nn[n-]n4)cn3)C2)c(C)o1 ZINC001571201348 953017340 /nfs/dbraw/zinc/01/73/40/953017340.db2.gz KKMBELQYINKMRN-CYBMUJFWSA-N -1 1 382.428 1.831 20 0 GDADMM Cc1coc(C(=O)N2CC[C@@H](C)C[C@H]2CNc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001571202110 953023120 /nfs/dbraw/zinc/02/31/20/953023120.db2.gz RAEQQBPIWHTIBX-YPMHNXCESA-N -1 1 382.428 1.911 20 0 GDADMM Cc1coc(C(=O)N2CC[C@@H](C)C[C@H]2CNc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001571202110 953023121 /nfs/dbraw/zinc/02/31/21/953023121.db2.gz RAEQQBPIWHTIBX-YPMHNXCESA-N -1 1 382.428 1.911 20 0 GDADMM Cc1ccc(CC(=O)N[C@@H]2CCC[C@H]2CNc2nccnc2-c2nnn[n-]2)o1 ZINC001571202172 953023282 /nfs/dbraw/zinc/02/32/82/953023282.db2.gz RLRCPZGOSJEXLL-GXTWGEPZSA-N -1 1 382.428 1.498 20 0 GDADMM Cc1ccc(CC(=O)N[C@@H]2CCC[C@H]2CNc2nccnc2-c2nn[n-]n2)o1 ZINC001571202172 953023285 /nfs/dbraw/zinc/02/32/85/953023285.db2.gz RLRCPZGOSJEXLL-GXTWGEPZSA-N -1 1 382.428 1.498 20 0 GDADMM Cc1ccc(CC(=O)N(C)C2CCN(c3nccnc3-c3nnn[n-]3)CC2)o1 ZINC001571202114 953023403 /nfs/dbraw/zinc/02/34/03/953023403.db2.gz RCTNIZQUIKSXRN-UHFFFAOYSA-N -1 1 382.428 1.228 20 0 GDADMM Cc1ccc(CC(=O)N(C)C2CCN(c3nccnc3-c3nn[n-]n3)CC2)o1 ZINC001571202114 953023410 /nfs/dbraw/zinc/02/34/10/953023410.db2.gz RCTNIZQUIKSXRN-UHFFFAOYSA-N -1 1 382.428 1.228 20 0 GDADMM Cc1cc(C(=O)N2CCCC[C@H]2CNc2cncc(-c3nnn[n-]3)n2)oc1C ZINC001571202287 953024070 /nfs/dbraw/zinc/02/40/70/953024070.db2.gz SKYFHZZLYJBTDH-ZDUSSCGKSA-N -1 1 382.428 1.973 20 0 GDADMM Cc1cc(C(=O)N2CCCC[C@H]2CNc2cncc(-c3nn[n-]n3)n2)oc1C ZINC001571202287 953024074 /nfs/dbraw/zinc/02/40/74/953024074.db2.gz SKYFHZZLYJBTDH-ZDUSSCGKSA-N -1 1 382.428 1.973 20 0 GDADMM O=C(N[C@@H]1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cccc(F)c1 ZINC001571202382 953024425 /nfs/dbraw/zinc/02/44/25/953024425.db2.gz VWQRDGVWMSEWLM-ZIAGYGMSSA-N -1 1 382.403 1.949 20 0 GDADMM O=C(N[C@@H]1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cccc(F)c1 ZINC001571202382 953024430 /nfs/dbraw/zinc/02/44/30/953024430.db2.gz VWQRDGVWMSEWLM-ZIAGYGMSSA-N -1 1 382.403 1.949 20 0 GDADMM CCCc1occc1C(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571202452 953025308 /nfs/dbraw/zinc/02/53/08/953025308.db2.gz XLRSIIXLQCQHAZ-GFCCVEGCSA-N -1 1 382.428 1.459 20 0 GDADMM CCCc1occc1C(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571202452 953025311 /nfs/dbraw/zinc/02/53/11/953025311.db2.gz XLRSIIXLQCQHAZ-GFCCVEGCSA-N -1 1 382.428 1.459 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CC[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)oc1C ZINC001571202761 953028987 /nfs/dbraw/zinc/02/89/87/953028987.db2.gz YGESWJAGRSVCIY-CHWSQXEVSA-N -1 1 382.428 1.877 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CC[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)oc1C ZINC001571202761 953028991 /nfs/dbraw/zinc/02/89/91/953028991.db2.gz YGESWJAGRSVCIY-CHWSQXEVSA-N -1 1 382.428 1.877 20 0 GDADMM Cc1cocc1C(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1 ZINC001571202807 953029458 /nfs/dbraw/zinc/02/94/58/953029458.db2.gz YYKWHMHAFJNVES-YPMHNXCESA-N -1 1 382.428 1.768 20 0 GDADMM Cc1cocc1C(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1 ZINC001571202807 953029464 /nfs/dbraw/zinc/02/94/64/953029464.db2.gz YYKWHMHAFJNVES-YPMHNXCESA-N -1 1 382.428 1.768 20 0 GDADMM CCn1cnc(C(=O)N[C@H]2CCC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571206382 953050019 /nfs/dbraw/zinc/05/00/19/953050019.db2.gz FUFJSNNVEHRPMO-RYUDHWBXSA-N -1 1 382.432 1.026 20 0 GDADMM CCn1cnc(C(=O)N[C@H]2CCC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571206382 953050022 /nfs/dbraw/zinc/05/00/22/953050022.db2.gz FUFJSNNVEHRPMO-RYUDHWBXSA-N -1 1 382.432 1.026 20 0 GDADMM Cc1c[nH]nc1C(=O)N1CCC([C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571206409 953050898 /nfs/dbraw/zinc/05/08/98/953050898.db2.gz GPJWAHSETZUHOZ-LLVKDONJSA-N -1 1 382.432 1.041 20 0 GDADMM Cc1c[nH]nc1C(=O)N1CCC([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571206409 953050901 /nfs/dbraw/zinc/05/09/01/953050901.db2.gz GPJWAHSETZUHOZ-LLVKDONJSA-N -1 1 382.432 1.041 20 0 GDADMM Cc1oc(C)c(C(=O)N2CCC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c1C ZINC001571206469 953051309 /nfs/dbraw/zinc/05/13/09/953051309.db2.gz PWLNJUAICRCQMN-ZDUSSCGKSA-N -1 1 382.428 1.892 20 0 GDADMM Cc1oc(C)c(C(=O)N2CCC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c1C ZINC001571206469 953051311 /nfs/dbraw/zinc/05/13/11/953051311.db2.gz PWLNJUAICRCQMN-ZDUSSCGKSA-N -1 1 382.428 1.892 20 0 GDADMM Cc1c[nH]nc1C(=O)N1CCC[C@@H]([C@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571207535 953064206 /nfs/dbraw/zinc/06/42/06/953064206.db2.gz VYMYXMCNXFEEMM-NWDGAFQWSA-N -1 1 382.432 1.041 20 0 GDADMM Cc1c[nH]nc1C(=O)N1CCC[C@@H]([C@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571207535 953064210 /nfs/dbraw/zinc/06/42/10/953064210.db2.gz VYMYXMCNXFEEMM-NWDGAFQWSA-N -1 1 382.432 1.041 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)c(C)s1 ZINC001571209977 953069825 /nfs/dbraw/zinc/06/98/25/953069825.db2.gz KMWAGDKAKCNIIU-JYAVWHMHSA-N -1 1 382.453 1.200 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)c(C)s1 ZINC001571209977 953069828 /nfs/dbraw/zinc/06/98/28/953069828.db2.gz KMWAGDKAKCNIIU-JYAVWHMHSA-N -1 1 382.453 1.200 20 0 GDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CCN(C(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001571212003 953082968 /nfs/dbraw/zinc/08/29/68/953082968.db2.gz HBXKHDMFDSGDFM-BBEGDGIKSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CCN(C(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001571212003 953082972 /nfs/dbraw/zinc/08/29/72/953082972.db2.gz HBXKHDMFDSGDFM-BBEGDGIKSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@@H](NC(=O)[C@H]1C[C@H]2C[C@H]2C1)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571212261 953085653 /nfs/dbraw/zinc/08/56/53/953085653.db2.gz KFSXOMXBOGNEQG-RZFFKMDDSA-N -1 1 382.472 1.424 20 0 GDADMM C[C@@H](NC(=O)[C@H]1C[C@H]2C[C@H]2C1)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571212261 953085657 /nfs/dbraw/zinc/08/56/57/953085657.db2.gz KFSXOMXBOGNEQG-RZFFKMDDSA-N -1 1 382.472 1.424 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)C1CCC1 ZINC001571212279 953085706 /nfs/dbraw/zinc/08/57/06/953085706.db2.gz KLJPEYOLWXTMSN-YUELXQCFSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@]1(CNc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)C2CC3(CCC3)C2)C1 ZINC001571212259 953086373 /nfs/dbraw/zinc/08/63/73/953086373.db2.gz KFCCBQZELHSSTJ-GOSISDBHSA-N -1 1 382.472 1.888 20 0 GDADMM C[C@]1(CNc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)C2CC3(CCC3)C2)C1 ZINC001571212259 953086375 /nfs/dbraw/zinc/08/63/75/953086375.db2.gz KFCCBQZELHSSTJ-GOSISDBHSA-N -1 1 382.472 1.888 20 0 GDADMM CCc1nc(NC[C@H]2CCCN2C(=O)[C@@H]2C[C@H]2C2CC2)cc(-c2nnn[n-]2)n1 ZINC001571212302 953086991 /nfs/dbraw/zinc/08/69/91/953086991.db2.gz LARDXQGNUMVVQW-HZSPNIEDSA-N -1 1 382.472 1.668 20 0 GDADMM CCc1nc(NC[C@H]2CCCN2C(=O)[C@@H]2C[C@H]2C2CC2)cc(-c2nn[n-]n2)n1 ZINC001571212302 953086996 /nfs/dbraw/zinc/08/69/96/953086996.db2.gz LARDXQGNUMVVQW-HZSPNIEDSA-N -1 1 382.472 1.668 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)[C@H]1[C@@H]2CCCC[C@@H]21)c1cnc(-c2nnn[n-]2)cn1 ZINC001571212465 953088546 /nfs/dbraw/zinc/08/85/46/953088546.db2.gz MESRIUXFTBSGCY-WVZRYYJFSA-N -1 1 382.472 1.520 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)[C@H]1[C@@H]2CCCC[C@@H]21)c1cnc(-c2nn[n-]n2)cn1 ZINC001571212465 953088550 /nfs/dbraw/zinc/08/85/50/953088550.db2.gz MESRIUXFTBSGCY-WVZRYYJFSA-N -1 1 382.472 1.520 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)C2)n1 ZINC001571212980 953091137 /nfs/dbraw/zinc/09/11/37/953091137.db2.gz PBXHQCDRMSWQEZ-ZQDZILKHSA-N -1 1 382.472 1.804 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)C2)n1 ZINC001571212980 953091140 /nfs/dbraw/zinc/09/11/40/953091140.db2.gz PBXHQCDRMSWQEZ-ZQDZILKHSA-N -1 1 382.472 1.804 20 0 GDADMM C[C@H](NC(=O)[C@H]1C[C@H]2C[C@H]2C1)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571212920 953091600 /nfs/dbraw/zinc/09/16/00/953091600.db2.gz ODFMIWPYLRZYIO-SPWCGHHHSA-N -1 1 382.472 1.424 20 0 GDADMM C[C@H](NC(=O)[C@H]1C[C@H]2C[C@H]2C1)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571212920 953091603 /nfs/dbraw/zinc/09/16/03/953091603.db2.gz ODFMIWPYLRZYIO-SPWCGHHHSA-N -1 1 382.472 1.424 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@]3(CCN(C(=O)[C@H](C)C4CC4)C3)C2)n1 ZINC001571213254 953094642 /nfs/dbraw/zinc/09/46/42/953094642.db2.gz QKLUGGYSKDRJLG-YJYMSZOUSA-N -1 1 382.472 1.440 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@]3(CCN(C(=O)[C@H](C)C4CC4)C3)C2)n1 ZINC001571213254 953094645 /nfs/dbraw/zinc/09/46/45/953094645.db2.gz QKLUGGYSKDRJLG-YJYMSZOUSA-N -1 1 382.472 1.440 20 0 GDADMM CC1(C)CC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571213604 953096585 /nfs/dbraw/zinc/09/65/85/953096585.db2.gz SDTBDWMWODHNJU-GSPSYOTPSA-N -1 1 382.472 1.709 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H]3CN(C(=O)[C@H]4C[C@@H]4C)C[C@@H]3C2)n1 ZINC001571214026 953098691 /nfs/dbraw/zinc/09/86/91/953098691.db2.gz VISPYZKSEYJURJ-CRWXNKLISA-N -1 1 382.472 1.160 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H]3CN(C(=O)[C@H]4C[C@@H]4C)C[C@@H]3C2)n1 ZINC001571214026 953098695 /nfs/dbraw/zinc/09/86/95/953098695.db2.gz VISPYZKSEYJURJ-CRWXNKLISA-N -1 1 382.472 1.160 20 0 GDADMM C[C@@]1(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571214467 953102979 /nfs/dbraw/zinc/10/29/79/953102979.db2.gz ZAPQWHCOIGUOGX-WZFJYNIESA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@]1(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571214467 953102980 /nfs/dbraw/zinc/10/29/80/953102980.db2.gz ZAPQWHCOIGUOGX-WZFJYNIESA-N -1 1 382.472 1.568 20 0 GDADMM O=C(N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1)[C@@H]1CC12CCCC2 ZINC001571217712 953111078 /nfs/dbraw/zinc/11/10/78/953111078.db2.gz JBRQWPYKGSRFMD-KBPBESRZSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1)[C@@H]1CC12CCCC2 ZINC001571217712 953111080 /nfs/dbraw/zinc/11/10/80/953111080.db2.gz JBRQWPYKGSRFMD-KBPBESRZSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(N1CCC[C@@H](CCNc2nccnc2-c2nnn[n-]2)C1)[C@]12C[C@H]1CCC2 ZINC001571218018 953112697 /nfs/dbraw/zinc/11/26/97/953112697.db2.gz KLNLEZCCXJDZCF-IQUTYRLHSA-N -1 1 382.472 1.888 20 0 GDADMM O=C(N1CCC[C@@H](CCNc2nccnc2-c2nn[n-]n2)C1)[C@]12C[C@H]1CCC2 ZINC001571218018 953112701 /nfs/dbraw/zinc/11/27/01/953112701.db2.gz KLNLEZCCXJDZCF-IQUTYRLHSA-N -1 1 382.472 1.888 20 0 GDADMM O=C(N[C@@H]1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C(C1CC1)C1CC1 ZINC001571218069 953112760 /nfs/dbraw/zinc/11/27/60/953112760.db2.gz LBBZHXMNZPCDPI-ZIAGYGMSSA-N -1 1 382.472 1.932 20 0 GDADMM O=C(N[C@@H]1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C(C1CC1)C1CC1 ZINC001571218069 953112763 /nfs/dbraw/zinc/11/27/63/953112763.db2.gz LBBZHXMNZPCDPI-ZIAGYGMSSA-N -1 1 382.472 1.932 20 0 GDADMM C[C@H]1CN(C(=O)c2cncc(F)c2)CC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571218267 953114418 /nfs/dbraw/zinc/11/44/18/953114418.db2.gz UVROEGWCQHVDLX-GXFFZTMASA-N -1 1 383.391 1.154 20 0 GDADMM C[C@H]1CN(C(=O)c2cncc(F)c2)CC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571218267 953114424 /nfs/dbraw/zinc/11/44/24/953114424.db2.gz UVROEGWCQHVDLX-GXFFZTMASA-N -1 1 383.391 1.154 20 0 GDADMM O=C(NC[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)C12CCC(CC1)C2 ZINC001571218477 953115135 /nfs/dbraw/zinc/11/51/35/953115135.db2.gz OXRSLUPVQHZDHA-SHYRYGCCSA-N -1 1 382.472 1.570 20 0 GDADMM O=C(N[C@@]12CCC[C@@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2)C1CCCCC1 ZINC001571218823 953119620 /nfs/dbraw/zinc/11/96/20/953119620.db2.gz RSKUDOFXKAFJJB-IFXJQAMLSA-N -1 1 382.472 1.855 20 0 GDADMM O=C(c1ncccc1F)N1CCCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571219207 953124097 /nfs/dbraw/zinc/12/40/97/953124097.db2.gz LZANKZXXTHYLCI-LLVKDONJSA-N -1 1 383.391 1.298 20 0 GDADMM O=C(c1ncccc1F)N1CCCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571219207 953124099 /nfs/dbraw/zinc/12/40/99/953124099.db2.gz LZANKZXXTHYLCI-LLVKDONJSA-N -1 1 383.391 1.298 20 0 GDADMM O=C(C1CCC2(CC2)CC1)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571219385 953125550 /nfs/dbraw/zinc/12/55/50/953125550.db2.gz YSFXRXXWVOABJT-CYBMUJFWSA-N -1 1 382.472 1.888 20 0 GDADMM O=C(C1CCC2(CC2)CC1)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571219385 953125551 /nfs/dbraw/zinc/12/55/51/953125551.db2.gz YSFXRXXWVOABJT-CYBMUJFWSA-N -1 1 382.472 1.888 20 0 GDADMM CCc1nc(C(=O)NCC2CC(Nc3ccc(-c4nnn[n-]4)nn3)C2)c(C)o1 ZINC001571222051 953130442 /nfs/dbraw/zinc/13/04/42/953130442.db2.gz ARHRAOIHYFFQJB-UHFFFAOYSA-N -1 1 383.416 1.136 20 0 GDADMM CCc1nc(C(=O)NCC2CC(Nc3ccc(-c4nn[n-]n4)nn3)C2)c(C)o1 ZINC001571222051 953130445 /nfs/dbraw/zinc/13/04/45/953130445.db2.gz ARHRAOIHYFFQJB-UHFFFAOYSA-N -1 1 383.416 1.136 20 0 GDADMM CC1(Nc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)CCc2ccon2)CC1 ZINC001571222204 953132628 /nfs/dbraw/zinc/13/26/28/953132628.db2.gz FKTTVHXSPAJVDF-UHFFFAOYSA-N -1 1 383.416 1.071 20 0 GDADMM CC1(Nc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)CCc2ccon2)CC1 ZINC001571222204 953132632 /nfs/dbraw/zinc/13/26/32/953132632.db2.gz FKTTVHXSPAJVDF-UHFFFAOYSA-N -1 1 383.416 1.071 20 0 GDADMM CCCc1nc(C(=O)N[C@H]2C[C@H](CNc3nccnc3-c3nnn[n-]3)C2)co1 ZINC001571222553 953135884 /nfs/dbraw/zinc/13/58/84/953135884.db2.gz IXAGXKAUNWEQQO-XYPYZODXSA-N -1 1 383.416 1.218 20 0 GDADMM CCCc1nc(C(=O)N[C@H]2C[C@H](CNc3nccnc3-c3nn[n-]n3)C2)co1 ZINC001571222553 953135888 /nfs/dbraw/zinc/13/58/88/953135888.db2.gz IXAGXKAUNWEQQO-XYPYZODXSA-N -1 1 383.416 1.218 20 0 GDADMM CCc1nc(N[C@@H]2CN(C(=O)c3nocc3C)C[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571223300 953142950 /nfs/dbraw/zinc/14/29/50/953142950.db2.gz SPKGMHNSFOVAOB-BXKDBHETSA-N -1 1 383.416 1.088 20 0 GDADMM CCc1nc(N[C@@H]2CN(C(=O)c3nocc3C)C[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571223300 953142954 /nfs/dbraw/zinc/14/29/54/953142954.db2.gz SPKGMHNSFOVAOB-BXKDBHETSA-N -1 1 383.416 1.088 20 0 GDADMM Cc1nc(C(=O)N2CC[C@@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)[C@H](C)C2)co1 ZINC001571224971 953152088 /nfs/dbraw/zinc/15/20/88/953152088.db2.gz HTUXOQPKEGCFJY-BXKDBHETSA-N -1 1 383.416 1.224 20 0 GDADMM Cc1nc(C(=O)N2CC[C@@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)[C@H](C)C2)co1 ZINC001571224971 953152091 /nfs/dbraw/zinc/15/20/91/953152091.db2.gz HTUXOQPKEGCFJY-BXKDBHETSA-N -1 1 383.416 1.224 20 0 GDADMM Cc1ncoc1C(=O)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)[C@H](C)C1 ZINC001571225337 953152993 /nfs/dbraw/zinc/15/29/93/953152993.db2.gz JUKLUNIMIFFSDE-PWSUYJOCSA-N -1 1 383.416 1.163 20 0 GDADMM Cc1ncoc1C(=O)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)[C@H](C)C1 ZINC001571225337 953152995 /nfs/dbraw/zinc/15/29/95/953152995.db2.gz JUKLUNIMIFFSDE-PWSUYJOCSA-N -1 1 383.416 1.163 20 0 GDADMM Cc1oc(C(C)C)nc1C(=O)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571228406 953163844 /nfs/dbraw/zinc/16/38/44/953163844.db2.gz OUICVJPEESKSRJ-UHFFFAOYSA-N -1 1 383.416 1.039 20 0 GDADMM Cc1nsc(NCC2CC(NC(=O)[C@H]3CCC3(F)F)C2)c1-c1nn[n-]n1 ZINC001571230104 953173649 /nfs/dbraw/zinc/17/36/49/953173649.db2.gz RUXBACIVQVFBRH-UDNWOFFPSA-N -1 1 383.428 1.984 20 0 GDADMM O=C(N[C@H]1CCc2ccccc2NC1=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001571234599 953203752 /nfs/dbraw/zinc/20/37/52/953203752.db2.gz CVWUMOQZRKGTBK-AWEZNQCLSA-N -1 1 384.346 1.828 20 0 GDADMM O=C(N[C@H]1CCc2ccccc2NC1=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001571234599 953203755 /nfs/dbraw/zinc/20/37/55/953203755.db2.gz CVWUMOQZRKGTBK-AWEZNQCLSA-N -1 1 384.346 1.828 20 0 GDADMM CC(C)(C(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001571234609 953203999 /nfs/dbraw/zinc/20/39/99/953203999.db2.gz DAZCYTBHSSMHBK-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)(C(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001571234609 953204001 /nfs/dbraw/zinc/20/40/01/953204001.db2.gz DAZCYTBHSSMHBK-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM CO[C@@H](C(=O)N1CC[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1)C1CC1 ZINC001571234938 953207016 /nfs/dbraw/zinc/20/70/16/953207016.db2.gz NLWHHTIWECKLEI-PSASIEDQSA-N -1 1 383.865 1.414 20 0 GDADMM O=C(C[C@H]1CCOC1)N[C@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571235204 953210452 /nfs/dbraw/zinc/21/04/52/953210452.db2.gz WWFWPVFQUZVPTA-BDAKNGLRSA-N -1 1 383.865 1.098 20 0 GDADMM O=C(C[C@H]1CCOC1)N[C@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571235204 953210456 /nfs/dbraw/zinc/21/04/56/953210456.db2.gz WWFWPVFQUZVPTA-BDAKNGLRSA-N -1 1 383.865 1.098 20 0 GDADMM O=C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)[C@@H](c2ccccc2)C1 ZINC001571242179 953254065 /nfs/dbraw/zinc/25/40/65/953254065.db2.gz WHIQEXWCBZOAJE-MRXNPFEDSA-N -1 1 384.421 1.357 20 0 GDADMM O=C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H](c2ccccc2)C1 ZINC001571242179 953254068 /nfs/dbraw/zinc/25/40/68/953254068.db2.gz WHIQEXWCBZOAJE-MRXNPFEDSA-N -1 1 384.421 1.357 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@@H]2CCCN2C(=O)C2=COCCC2)n1 ZINC001571242555 953257574 /nfs/dbraw/zinc/25/75/74/953257574.db2.gz IYGXHDBOXMPLMC-AWEZNQCLSA-N -1 1 384.444 1.087 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@@H]2CCCN2C(=O)C2=COCCC2)n1 ZINC001571242555 953257577 /nfs/dbraw/zinc/25/75/77/953257577.db2.gz IYGXHDBOXMPLMC-AWEZNQCLSA-N -1 1 384.444 1.087 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H](CN(C)c3ccnc(-c4nn[n-]n4)n3)C2)s1 ZINC001571244571 953265152 /nfs/dbraw/zinc/26/51/52/953265152.db2.gz BHJGDGHKUVXZDB-GFCCVEGCSA-N -1 1 384.469 1.625 20 0 GDADMM Cc1ccsc1C(=O)NC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571244753 953266353 /nfs/dbraw/zinc/26/63/53/953266353.db2.gz HKKHHKJRQPMJBD-UHFFFAOYSA-N -1 1 384.469 1.816 20 0 GDADMM Cc1ccsc1C(=O)NC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571244753 953266354 /nfs/dbraw/zinc/26/63/54/953266354.db2.gz HKKHHKJRQPMJBD-UHFFFAOYSA-N -1 1 384.469 1.816 20 0 GDADMM CCc1nc(N[C@H]2C[C@H](C)N(C(=O)c3ccsc3)C2)cc(-c2nnn[n-]2)n1 ZINC001571244896 953268219 /nfs/dbraw/zinc/26/82/19/953268219.db2.gz LJOAUSLTJKYEIH-JQWIXIFHSA-N -1 1 384.469 1.996 20 0 GDADMM CCc1nc(N[C@H]2C[C@H](C)N(C(=O)c3ccsc3)C2)cc(-c2nn[n-]n2)n1 ZINC001571244896 953268221 /nfs/dbraw/zinc/26/82/21/953268221.db2.gz LJOAUSLTJKYEIH-JQWIXIFHSA-N -1 1 384.469 1.996 20 0 GDADMM Cc1csc(C(=O)NC[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571245203 953271320 /nfs/dbraw/zinc/27/13/20/953271320.db2.gz PEFNFTCUNPFBHV-GFCCVEGCSA-N -1 1 384.469 1.673 20 0 GDADMM Cc1csc(C(=O)NC[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571245203 953271323 /nfs/dbraw/zinc/27/13/23/953271323.db2.gz PEFNFTCUNPFBHV-GFCCVEGCSA-N -1 1 384.469 1.673 20 0 GDADMM Cc1cscc1C(=O)N1CCC[C@@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001571245573 953274285 /nfs/dbraw/zinc/27/42/85/953274285.db2.gz VULDWXGORNUHPZ-GFCCVEGCSA-N -1 1 384.469 1.768 20 0 GDADMM CCc1ccsc1C(=O)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571245836 953277978 /nfs/dbraw/zinc/27/79/78/953277978.db2.gz ZZMCHBDWJSLSCW-GFCCVEGCSA-N -1 1 384.469 1.997 20 0 GDADMM CCc1ccsc1C(=O)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571245836 953277981 /nfs/dbraw/zinc/27/79/81/953277981.db2.gz ZZMCHBDWJSLSCW-GFCCVEGCSA-N -1 1 384.469 1.997 20 0 GDADMM O=C(Cc1cccs1)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571247615 953284242 /nfs/dbraw/zinc/28/42/42/953284242.db2.gz AYYNAWZTFATORT-GFCCVEGCSA-N -1 1 384.469 1.436 20 0 GDADMM O=C(Cc1cccs1)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571247615 953284244 /nfs/dbraw/zinc/28/42/44/953284244.db2.gz AYYNAWZTFATORT-GFCCVEGCSA-N -1 1 384.469 1.436 20 0 GDADMM C[C@@H]1CCN(C(=O)C(C)(C)C2CC2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571249337 953303974 /nfs/dbraw/zinc/30/39/74/953303974.db2.gz HRBYNGDLKXFEFP-OLZOCXBDSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H]1CCN(C(=O)C(C)(C)C2CC2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571249337 953303978 /nfs/dbraw/zinc/30/39/78/953303978.db2.gz HRBYNGDLKXFEFP-OLZOCXBDSA-N -1 1 384.488 1.989 20 0 GDADMM CC1CCC(C)(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571250576 953312581 /nfs/dbraw/zinc/31/25/81/953312581.db2.gz RAGUXRFPTLGYHO-BIWSTMPVSA-N -1 1 384.488 1.958 20 0 GDADMM CCC1(C(=O)N2CC[C@@H](CN(C)c3nc(C)cc(-c4nnn[n-]4)n3)C2)CCC1 ZINC001571251568 953318938 /nfs/dbraw/zinc/31/89/38/953318938.db2.gz ZQMKVUAVSVCHIV-AWEZNQCLSA-N -1 1 384.488 1.830 20 0 GDADMM CCC1(C(=O)N2CC[C@@H](CN(C)c3nc(C)cc(-c4nn[n-]n4)n3)C2)CCC1 ZINC001571251568 953318943 /nfs/dbraw/zinc/31/89/43/953318943.db2.gz ZQMKVUAVSVCHIV-AWEZNQCLSA-N -1 1 384.488 1.830 20 0 GDADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCCN(C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001571251813 953320627 /nfs/dbraw/zinc/32/06/27/953320627.db2.gz AMIULMFWXMYANJ-ZIAGYGMSSA-N -1 1 384.488 1.910 20 0 GDADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCCN(C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001571251813 953320632 /nfs/dbraw/zinc/32/06/32/953320632.db2.gz AMIULMFWXMYANJ-ZIAGYGMSSA-N -1 1 384.488 1.910 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H]([C@@H]3CCCN(C(C)=O)C3)C2)n1 ZINC001571252015 953322951 /nfs/dbraw/zinc/32/29/51/953322951.db2.gz FIIKEYFHPVZVSR-HUUCEWRRSA-N -1 1 384.488 1.694 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H]([C@@H]3CCCN(C(C)=O)C3)C2)n1 ZINC001571252015 953322956 /nfs/dbraw/zinc/32/29/56/953322956.db2.gz FIIKEYFHPVZVSR-HUUCEWRRSA-N -1 1 384.488 1.694 20 0 GDADMM C[C@@H]1CN(C(=O)[C@@H]2CCCC2(C)C)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571252665 953331554 /nfs/dbraw/zinc/33/15/54/953331554.db2.gz SXTKQYYTVYEANC-MCIONIFRSA-N -1 1 384.488 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/nfs/dbraw/zinc/94/02/99/598940299.db2.gz UGVZXYDMMVEDFS-UHFFFAOYSA-N -1 1 379.833 1.914 20 0 GDADMM O=C(NCCCNc1snc(Cl)c1-c1nn[n-]n1)c1cccc(O)c1 ZINC000738076521 598940300 /nfs/dbraw/zinc/94/03/00/598940300.db2.gz UGVZXYDMMVEDFS-UHFFFAOYSA-N -1 1 379.833 1.914 20 0 GDADMM Cc1nc(C[C@@H]2CCCN(c3c4ccccc4nnc3-c3nnn[n-]3)C2)no1 ZINC000737471560 598963521 /nfs/dbraw/zinc/96/35/21/598963521.db2.gz JNMFVHRGMVMYCG-LBPRGKRZSA-N -1 1 377.412 1.960 20 0 GDADMM Cc1nc(C[C@@H]2CCCN(c3c4ccccc4nnc3-c3nn[n-]n3)C2)no1 ZINC000737471560 598963523 /nfs/dbraw/zinc/96/35/23/598963523.db2.gz JNMFVHRGMVMYCG-LBPRGKRZSA-N -1 1 377.412 1.960 20 0 GDADMM O=C(NC[C@@H](c1ccccc1)N1CCOCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738036380 598988705 /nfs/dbraw/zinc/98/87/05/598988705.db2.gz BOBQZLLAFZLACZ-KRWDZBQOSA-N -1 1 379.424 1.065 20 0 GDADMM O=C(NC[C@@H](c1ccccc1)N1CCOCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738036380 598988707 /nfs/dbraw/zinc/98/87/07/598988707.db2.gz BOBQZLLAFZLACZ-KRWDZBQOSA-N -1 1 379.424 1.065 20 0 GDADMM C[C@@H]1CN(c2ccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)cn2)C[C@@H](C)O1 ZINC000736292804 598991857 /nfs/dbraw/zinc/99/18/57/598991857.db2.gz LQVIDBCUOGJLJC-VXGBXAGGSA-N -1 1 380.412 1.523 20 0 GDADMM C[C@@H]1CN(c2ccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)cn2)C[C@@H](C)O1 ZINC000736292804 598991858 /nfs/dbraw/zinc/99/18/58/598991858.db2.gz LQVIDBCUOGJLJC-VXGBXAGGSA-N -1 1 380.412 1.523 20 0 GDADMM O=C(Nc1ccccc1CN1C(=O)CCC1=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738189667 598998631 /nfs/dbraw/zinc/99/86/31/598998631.db2.gz KCZZQDXEZTUOHB-UHFFFAOYSA-N -1 1 377.364 1.163 20 0 GDADMM O=C(Nc1ccccc1CN1C(=O)CCC1=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738189667 598998633 /nfs/dbraw/zinc/99/86/33/598998633.db2.gz KCZZQDXEZTUOHB-UHFFFAOYSA-N -1 1 377.364 1.163 20 0 GDADMM O=C(N[C@H](CN1CCCC1=O)c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000737996112 599026127 /nfs/dbraw/zinc/02/61/27/599026127.db2.gz OKQGRCAJDKYQGO-MRXNPFEDSA-N -1 1 377.408 1.355 20 0 GDADMM O=C(N[C@H](CN1CCCC1=O)c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000737996112 599026129 /nfs/dbraw/zinc/02/61/29/599026129.db2.gz OKQGRCAJDKYQGO-MRXNPFEDSA-N -1 1 377.408 1.355 20 0 GDADMM CC(C)(C)OC(=O)NCC1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000735635800 599026705 /nfs/dbraw/zinc/02/67/05/599026705.db2.gz JEOJYYDAZDIAJY-UHFFFAOYSA-N -1 1 387.444 1.639 20 0 GDADMM CC(C)(C)OC(=O)NCC1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000735635800 599026706 /nfs/dbraw/zinc/02/67/06/599026706.db2.gz JEOJYYDAZDIAJY-UHFFFAOYSA-N -1 1 387.444 1.639 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)OCC(=O)c2cnn(C)c2)c1-c1nnn[n-]1 ZINC000737189440 599056351 /nfs/dbraw/zinc/05/63/51/599056351.db2.gz MRMIDJOHKFBWCL-UHFFFAOYSA-N -1 1 399.436 1.634 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)OCC(=O)c2cnn(C)c2)c1-c1nn[n-]n1 ZINC000737189440 599056354 /nfs/dbraw/zinc/05/63/54/599056354.db2.gz MRMIDJOHKFBWCL-UHFFFAOYSA-N -1 1 399.436 1.634 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC[C@H]1CCC[C@H](O)C1 ZINC000737487432 599100636 /nfs/dbraw/zinc/10/06/36/599100636.db2.gz IWJHBJBGBYJLPS-KBPBESRZSA-N -1 1 398.471 1.126 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC[C@H]1CCC[C@H](O)C1 ZINC000737487432 599100639 /nfs/dbraw/zinc/10/06/39/599100639.db2.gz IWJHBJBGBYJLPS-KBPBESRZSA-N -1 1 398.471 1.126 20 0 GDADMM O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC000738038387 599109624 /nfs/dbraw/zinc/10/96/24/599109624.db2.gz JYZJBELIPCHUBN-HNNXBMFYSA-N -1 1 378.314 1.442 20 0 GDADMM O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC000738038387 599109626 /nfs/dbraw/zinc/10/96/26/599109626.db2.gz JYZJBELIPCHUBN-HNNXBMFYSA-N -1 1 378.314 1.442 20 0 GDADMM NC(=O)[C@H](OC(=O)c1c([O-])cc(F)cc1F)c1ccc(-c2nn[nH]n2)cc1 ZINC000737740750 599126682 /nfs/dbraw/zinc/12/66/82/599126682.db2.gz OIYHYOJGAFCLMJ-CYBMUJFWSA-N -1 1 375.291 1.234 20 0 GDADMM Cc1ccc(NC(=O)NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)c(C)c1 ZINC000737358090 599135332 /nfs/dbraw/zinc/13/53/32/599135332.db2.gz XKIQERQHJUFONB-UHFFFAOYSA-N -1 1 395.379 1.384 20 0 GDADMM Cc1ccc(NC(=O)NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)c(C)c1 ZINC000737358090 599135336 /nfs/dbraw/zinc/13/53/36/599135336.db2.gz XKIQERQHJUFONB-UHFFFAOYSA-N -1 1 395.379 1.384 20 0 GDADMM CCOC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736603493 599136795 /nfs/dbraw/zinc/13/67/95/599136795.db2.gz XKGZJQMDGHAVLY-UHFFFAOYSA-N -1 1 396.363 1.234 20 0 GDADMM CCOC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736603493 599136796 /nfs/dbraw/zinc/13/67/96/599136796.db2.gz XKGZJQMDGHAVLY-UHFFFAOYSA-N -1 1 396.363 1.234 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)N[C@@H]1CCOc2ccccc21 ZINC000737909382 599136859 /nfs/dbraw/zinc/13/68/59/599136859.db2.gz UHSIKKQTABVOMR-CYBMUJFWSA-N -1 1 380.364 1.059 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)N[C@@H]1CCOc2ccccc21 ZINC000737909382 599136861 /nfs/dbraw/zinc/13/68/61/599136861.db2.gz UHSIKKQTABVOMR-CYBMUJFWSA-N -1 1 380.364 1.059 20 0 GDADMM CCOC(=O)c1[nH]c(C)c(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)c1C ZINC000736603473 599139046 /nfs/dbraw/zinc/13/90/46/599139046.db2.gz PTGSSIUHLMKBJK-UHFFFAOYSA-N -1 1 398.379 1.423 20 0 GDADMM CCOC(=O)c1[nH]c(C)c(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)c1C ZINC000736603473 599139048 /nfs/dbraw/zinc/13/90/48/599139048.db2.gz PTGSSIUHLMKBJK-UHFFFAOYSA-N -1 1 398.379 1.423 20 0 GDADMM COc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1OC ZINC000737104633 599141685 /nfs/dbraw/zinc/14/16/85/599141685.db2.gz XYCIDBNBVKPKEW-SNVBAGLBSA-N -1 1 398.379 1.463 20 0 GDADMM COc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1OC ZINC000737104633 599141687 /nfs/dbraw/zinc/14/16/87/599141687.db2.gz XYCIDBNBVKPKEW-SNVBAGLBSA-N -1 1 398.379 1.463 20 0 GDADMM CC(C)n1ccc(CN2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)n1 ZINC000735964900 599207686 /nfs/dbraw/zinc/20/76/86/599207686.db2.gz FPSPSHCJMDDGGV-UHFFFAOYSA-N -1 1 383.460 1.832 20 0 GDADMM CCc1nn(Cc2noc(-c3ccccc3)n2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705784 599222874 /nfs/dbraw/zinc/22/28/74/599222874.db2.gz AUHXLXZXXWMRNN-UHFFFAOYSA-N -1 1 378.396 1.647 20 0 GDADMM COc1cc(C(=O)N[C@H](CC(C)C)C(=O)[O-])cc(NS(C)(=O)=O)c1OC ZINC000262640050 597032992 /nfs/dbraw/zinc/03/29/92/597032992.db2.gz HDKZHQNAANUSLN-GFCCVEGCSA-N -1 1 388.442 1.304 20 0 GDADMM O=C([O-])C1(NCC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)CCCC1 ZINC000533202509 597078432 /nfs/dbraw/zinc/07/84/32/597078432.db2.gz FWZPSOOQQSJLOG-UHFFFAOYSA-N -1 1 387.480 1.253 20 0 GDADMM CN1CCN(c2ccc(CNC(=O)Nc3ccccc3CC(=O)[O-])cn2)CC1 ZINC000818482491 597341414 /nfs/dbraw/zinc/34/14/14/597341414.db2.gz YKIKVGNTORWJLR-UHFFFAOYSA-N -1 1 383.452 1.782 20 0 GDADMM CC[C@H](C)[C@H](NC(=O)C(=O)Nc1ccccc1CN1CCSCC1)C(=O)[O-] ZINC000820429694 597409608 /nfs/dbraw/zinc/40/96/08/597409608.db2.gz ABTJVIGBJZVLDX-BBRMVZONSA-N -1 1 393.509 1.789 20 0 GDADMM CC(=O)Nc1ccc(S(=O)(=O)N(CCN(C)C)CC(=O)[O-])c2ccccc12 ZINC000819796999 598201829 /nfs/dbraw/zinc/20/18/29/598201829.db2.gz SXJJTNOJOFZETM-UHFFFAOYSA-N -1 1 393.465 1.435 20 0 GDADMM COc1cccc([C@@H]2[C@@H](NC(=O)N3CCO[C@@H](C(=O)[O-])C3)CCN2C2CC2)c1 ZINC000820865787 598209242 /nfs/dbraw/zinc/20/92/42/598209242.db2.gz YWCKUJMZXNBLQT-RCCFBDPRSA-N -1 1 389.452 1.468 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@@H](O)Cc1ccccc1 ZINC000737200246 598260570 /nfs/dbraw/zinc/26/05/70/598260570.db2.gz KYQPELMUDZMFDQ-HNNXBMFYSA-N -1 1 396.451 1.237 20 0 GDADMM C[C@@H](CN(C)CC(=O)Nc1ccccc1I)C(=O)[O-] ZINC000042705788 600370166 /nfs/dbraw/zinc/37/01/66/600370166.db2.gz WPZSANAIPMFVPT-VIFPVBQESA-N -1 1 376.194 1.882 20 0 GDADMM O=S(=O)(NCCOc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738340194 598261276 /nfs/dbraw/zinc/26/12/76/598261276.db2.gz XDYNUXRBZYEJAJ-UHFFFAOYSA-N -1 1 380.817 1.272 20 0 GDADMM O=S(=O)(NCCOc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738340194 598261278 /nfs/dbraw/zinc/26/12/78/598261278.db2.gz XDYNUXRBZYEJAJ-UHFFFAOYSA-N -1 1 380.817 1.272 20 0 GDADMM O=S(=O)(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738343009 598263035 /nfs/dbraw/zinc/26/30/35/598263035.db2.gz OCVCQADOHSLXFY-IUCAKERBSA-N -1 1 376.364 1.661 20 0 GDADMM O=S(=O)(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738343009 598263037 /nfs/dbraw/zinc/26/30/37/598263037.db2.gz OCVCQADOHSLXFY-IUCAKERBSA-N -1 1 376.364 1.661 20 0 GDADMM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc2c(c1)CCC(=O)N2 ZINC000736128944 598264848 /nfs/dbraw/zinc/26/48/48/598264848.db2.gz BCCITMHUWBAPQB-JTQLQIEISA-N -1 1 399.436 1.186 20 0 GDADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc2c(c1)CCC(=O)N2 ZINC000736128944 598264850 /nfs/dbraw/zinc/26/48/50/598264850.db2.gz BCCITMHUWBAPQB-JTQLQIEISA-N -1 1 399.436 1.186 20 0 GDADMM Cc1ccc(CNC(=O)C2CCN(c3nccnc3-c3nnn[n-]3)CC2)cc1F ZINC000737341478 598344453 /nfs/dbraw/zinc/34/44/53/598344453.db2.gz IBNUCGGVHQWMIW-UHFFFAOYSA-N -1 1 396.430 1.637 20 0 GDADMM Cc1ccc(CNC(=O)C2CCN(c3nccnc3-c3nn[n-]n3)CC2)cc1F ZINC000737341478 598344455 /nfs/dbraw/zinc/34/44/55/598344455.db2.gz IBNUCGGVHQWMIW-UHFFFAOYSA-N -1 1 396.430 1.637 20 0 GDADMM CCc1cccc(OC[C@H](O)Cn2nc(CC)c(CC)c(-c3nn[n-]n3)c2=O)c1 ZINC000736700487 598374369 /nfs/dbraw/zinc/37/43/69/598374369.db2.gz SPFQMZBEPRLXCX-CQSZACIVSA-N -1 1 398.467 1.551 20 0 GDADMM CC(C)(NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1)C(N)=O ZINC000735677945 598399445 /nfs/dbraw/zinc/39/94/45/598399445.db2.gz LYQGVYILBLPLHO-UHFFFAOYSA-N -1 1 384.371 1.792 20 0 GDADMM CC(C)(NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1)C(N)=O ZINC000735677945 598399446 /nfs/dbraw/zinc/39/94/46/598399446.db2.gz LYQGVYILBLPLHO-UHFFFAOYSA-N -1 1 384.371 1.792 20 0 GDADMM O=C(NC[C@@H]1COCCO1)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000738051550 598400928 /nfs/dbraw/zinc/40/09/28/598400928.db2.gz OOBOQCYIIITDQW-CQSZACIVSA-N -1 1 399.382 1.943 20 0 GDADMM O=C(NC[C@@H]1COCCO1)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000738051550 598400929 /nfs/dbraw/zinc/40/09/29/598400929.db2.gz OOBOQCYIIITDQW-CQSZACIVSA-N -1 1 399.382 1.943 20 0 GDADMM Cc1csc(CCCCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC000737452437 598424741 /nfs/dbraw/zinc/42/47/41/598424741.db2.gz JZHOMNKRQOYZEL-UHFFFAOYSA-N -1 1 379.471 1.328 20 0 GDADMM Cc1csc(CCCCNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC000737452437 598424742 /nfs/dbraw/zinc/42/47/42/598424742.db2.gz JZHOMNKRQOYZEL-UHFFFAOYSA-N -1 1 379.471 1.328 20 0 GDADMM Cc1ccc(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)cc1C(N)=O ZINC000737357529 598446010 /nfs/dbraw/zinc/44/60/10/598446010.db2.gz ZRNSIXPJJWNBKJ-UHFFFAOYSA-N -1 1 395.423 1.563 20 0 GDADMM CC(C)COc1cn(-c2ccccc2)nc1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000735844059 598473498 /nfs/dbraw/zinc/47/34/98/598473498.db2.gz GKBOXLIHMDOQIG-UHFFFAOYSA-N -1 1 393.411 1.554 20 0 GDADMM COc1cccc(C2=NC(=Cc3cnc4c(-c5nnn[n-]5)cnn4c3)C(=O)O2)c1 ZINC000737126355 598567111 /nfs/dbraw/zinc/56/71/11/598567111.db2.gz GJJUZAZSJYQIKA-LHHJGKSTSA-N -1 1 388.347 1.263 20 0 GDADMM COc1cccc(C2=NC(=Cc3cnc4c(-c5nn[n-]n5)cnn4c3)C(=O)O2)c1 ZINC000737126355 598567112 /nfs/dbraw/zinc/56/71/12/598567112.db2.gz GJJUZAZSJYQIKA-LHHJGKSTSA-N -1 1 388.347 1.263 20 0 GDADMM O=C1OC(c2ccc(F)cc2F)=NC1=Cc1cnc2c(-c3nnn[n-]3)cnn2c1 ZINC000738320989 598567609 /nfs/dbraw/zinc/56/76/09/598567609.db2.gz ULHQVZLHVCATBP-QLKAYGNNSA-N -1 1 394.301 1.532 20 0 GDADMM O=C1OC(c2ccc(F)cc2F)=NC1=Cc1cnc2c(-c3nn[n-]n3)cnn2c1 ZINC000738320989 598567611 /nfs/dbraw/zinc/56/76/11/598567611.db2.gz ULHQVZLHVCATBP-QLKAYGNNSA-N -1 1 394.301 1.532 20 0 GDADMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000737072688 598595455 /nfs/dbraw/zinc/59/54/55/598595455.db2.gz WICWCWKAVWXLJX-UHFFFAOYSA-N -1 1 393.356 1.513 20 0 GDADMM O=S(=O)(N[C@@H]1CCOc2ccc(F)cc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344127 598597564 /nfs/dbraw/zinc/59/75/64/598597564.db2.gz VKOGBMUVHDYRSE-GFCCVEGCSA-N -1 1 376.373 1.203 20 0 GDADMM O=S(=O)(N[C@@H]1CCOc2ccc(F)cc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000738344127 598597565 /nfs/dbraw/zinc/59/75/65/598597565.db2.gz VKOGBMUVHDYRSE-GFCCVEGCSA-N -1 1 376.373 1.203 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCCCN1CCOC1=O ZINC000737546258 598612230 /nfs/dbraw/zinc/61/22/30/598612230.db2.gz CFAUZDGWCZIYBB-UHFFFAOYSA-N -1 1 385.384 1.131 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCCN1CCOC1=O ZINC000737546258 598612232 /nfs/dbraw/zinc/61/22/32/598612232.db2.gz CFAUZDGWCZIYBB-UHFFFAOYSA-N -1 1 385.384 1.131 20 0 GDADMM CCc1nn(CC(=O)Nc2ccc(C)cc2F)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705499 598643001 /nfs/dbraw/zinc/64/30/01/598643001.db2.gz JNZPMRKSYCXPSG-UHFFFAOYSA-N -1 1 385.403 1.634 20 0 GDADMM CCCCOC(=O)c1ccc(NC(=O)Cn2cccc(-c3nn[n-]n3)c2=O)cc1 ZINC000736461196 598676869 /nfs/dbraw/zinc/67/68/69/598676869.db2.gz VFMKWRMVURAKMD-UHFFFAOYSA-N -1 1 396.407 1.624 20 0 GDADMM COCCn1c(C)c(C)c2cc(C(=O)n3ncc(-c4nn[n-]n4)c3N)ccc21 ZINC000737013025 598700634 /nfs/dbraw/zinc/70/06/34/598700634.db2.gz FMAOJDRWGXVGRO-UHFFFAOYSA-N -1 1 380.412 1.552 20 0 GDADMM Cc1ccsc1CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000737442755 598719422 /nfs/dbraw/zinc/71/94/22/598719422.db2.gz PYRAJEZEZGDJDP-UHFFFAOYSA-N -1 1 380.433 1.868 20 0 GDADMM O=C(/C=C/C1CCOCC1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000737797125 598755464 /nfs/dbraw/zinc/75/54/64/598755464.db2.gz QCZOQMGJNYZTER-DAFODLJHSA-N -1 1 399.455 1.364 20 0 GDADMM COC(=O)[C@H](C)CN(C)C(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000736887346 598811788 /nfs/dbraw/zinc/81/17/88/598811788.db2.gz FKBJRZTUAMKBNG-SECBINFHSA-N -1 1 390.469 1.742 20 0 GDADMM C[C@H]1C[C@@H]1c1ccc(CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C2CC2)o1 ZINC000736237838 598814110 /nfs/dbraw/zinc/81/41/10/598814110.db2.gz QFEMTIRFLZALPQ-GWCFXTLKSA-N -1 1 397.439 1.150 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000738355164 599335067 /nfs/dbraw/zinc/33/50/67/599335067.db2.gz MKJFSCUVGWESFK-MRVPVSSYSA-N -1 1 379.339 1.969 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000738355164 599335069 /nfs/dbraw/zinc/33/50/69/599335069.db2.gz MKJFSCUVGWESFK-MRVPVSSYSA-N -1 1 379.339 1.969 20 0 GDADMM CC(=O)Nc1ccccc1CNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000819826211 599353669 /nfs/dbraw/zinc/35/36/69/599353669.db2.gz HBBWHKPDHJDTIV-UHFFFAOYSA-N -1 1 390.400 1.443 20 0 GDADMM CN1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c2ccc(F)cc21 ZINC000821628340 599376977 /nfs/dbraw/zinc/37/69/77/599376977.db2.gz GUVIDZJHGWAECW-UHFFFAOYSA-N -1 1 392.391 1.790 20 0 GDADMM CC(C)(C)N(Cc1cccc(F)c1)C(=O)Cn1cccc(-c2nn[n-]n2)c1=O ZINC000819914407 599384281 /nfs/dbraw/zinc/38/42/81/599384281.db2.gz RROMXWVGJGXTKS-UHFFFAOYSA-N -1 1 384.415 1.995 20 0 GDADMM O=C(COc1ccc(CCNc2cccc(-c3nnn[n-]3)n2)cc1)NC1CC1 ZINC000737919185 599414947 /nfs/dbraw/zinc/41/49/47/599414947.db2.gz PKRGZOUJYRSHDE-UHFFFAOYSA-N -1 1 379.424 1.574 20 0 GDADMM O=C(COc1ccc(CCNc2cccc(-c3nn[n-]n3)n2)cc1)NC1CC1 ZINC000737919185 599414950 /nfs/dbraw/zinc/41/49/50/599414950.db2.gz PKRGZOUJYRSHDE-UHFFFAOYSA-N -1 1 379.424 1.574 20 0 GDADMM O=C(NCCCC1CC1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000738056963 599456389 /nfs/dbraw/zinc/45/63/89/599456389.db2.gz XSHKKOLOYODTBH-UHFFFAOYSA-N -1 1 386.460 1.754 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N(C)c1ccccn1 ZINC000737488856 599466577 /nfs/dbraw/zinc/46/65/77/599466577.db2.gz YRNPMNDGIFNSCL-UHFFFAOYSA-N -1 1 377.412 1.517 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N(C)c1ccccn1 ZINC000737488856 599466578 /nfs/dbraw/zinc/46/65/78/599466578.db2.gz YRNPMNDGIFNSCL-UHFFFAOYSA-N -1 1 377.412 1.517 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@H](C)CCc2cccn2C)cc1-c1nn[n-]n1 ZINC000821971142 599486312 /nfs/dbraw/zinc/48/63/12/599486312.db2.gz XWHOGUIGYFVDEL-SNVBAGLBSA-N -1 1 387.469 1.779 20 0 GDADMM CCN(CC)C(=O)C1=C(C)N(CC)C(=S)N[C@H]1c1ccc(-c2nnn[n-]2)o1 ZINC000821170567 599493038 /nfs/dbraw/zinc/49/30/38/599493038.db2.gz SQHPGSFXAAYMBZ-AWEZNQCLSA-N -1 1 389.485 1.853 20 0 GDADMM CCN(CC)C(=O)C1=C(C)N(CC)C(=S)N[C@H]1c1ccc(-c2nn[n-]n2)o1 ZINC000821170567 599493039 /nfs/dbraw/zinc/49/30/39/599493039.db2.gz SQHPGSFXAAYMBZ-AWEZNQCLSA-N -1 1 389.485 1.853 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCSC[C@H]1C ZINC000737486279 599558270 /nfs/dbraw/zinc/55/82/70/599558270.db2.gz COMRWGLGGMCHSA-SNVBAGLBSA-N -1 1 386.485 1.423 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCSC[C@H]1C ZINC000737486279 599558273 /nfs/dbraw/zinc/55/82/73/599558273.db2.gz COMRWGLGGMCHSA-SNVBAGLBSA-N -1 1 386.485 1.423 20 0 GDADMM Cc1oc(NC(=O)CN(C)CC(=O)NCc2ccccc2)c(-c2nn[n-]n2)c1C ZINC000737551063 599591890 /nfs/dbraw/zinc/59/18/90/599591890.db2.gz DLWHLFBJIIYOIV-UHFFFAOYSA-N -1 1 397.439 1.263 20 0 GDADMM CN([C@@H]1CCOC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000736780461 599594105 /nfs/dbraw/zinc/59/41/05/599594105.db2.gz RQMFIZYQGSQFFF-SECBINFHSA-N -1 1 377.348 1.295 20 0 GDADMM CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC000820098460 599654173 /nfs/dbraw/zinc/65/41/73/599654173.db2.gz ZHYBLVXVVXQRCH-NSHDSACASA-N -1 1 386.416 1.651 20 0 GDADMM CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC000820098460 599654174 /nfs/dbraw/zinc/65/41/74/599654174.db2.gz ZHYBLVXVVXQRCH-NSHDSACASA-N -1 1 386.416 1.651 20 0 GDADMM O=C(COC(=O)c1sccc1-c1nn[n-]n1)c1ccc(N2CCOC2=O)cc1 ZINC000823027280 599659331 /nfs/dbraw/zinc/65/93/31/599659331.db2.gz PZKBAIAKZDBRPC-UHFFFAOYSA-N -1 1 399.388 1.925 20 0 GDADMM C[C@@H](NC(=O)CCSCC(=O)[O-])c1cc(F)ccc1N1CCN(C)CC1 ZINC000736640888 599754614 /nfs/dbraw/zinc/75/46/14/599754614.db2.gz OKYLYNOBWNTTEV-CYBMUJFWSA-N -1 1 383.489 1.963 20 0 GDADMM Cc1ccc(NC(=O)NC[C@@H]2CCCN([C@@H](C)C(=O)NCC(=O)[O-])C2)cc1 ZINC000738623981 599772279 /nfs/dbraw/zinc/77/22/79/599772279.db2.gz APXDUWPGGNSLER-GJZGRUSLSA-N -1 1 376.457 1.418 20 0 GDADMM COc1ccnc(N2CCN(S(=O)(=O)c3ccc(C(=O)[O-])cc3)CC2)c1 ZINC000738127314 599801196 /nfs/dbraw/zinc/80/11/96/599801196.db2.gz OQYXWGMCLLDFLF-UHFFFAOYSA-N -1 1 377.422 1.299 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc(CC(N)=O)cc2)c(C(=O)[O-])s1 ZINC000737679631 599813634 /nfs/dbraw/zinc/81/36/34/599813634.db2.gz BQMDHGNLZPJEDI-UHFFFAOYSA-N -1 1 398.418 1.062 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc3c(c2)CCO3)c(C(=O)[O-])s1 ZINC000737682308 599814541 /nfs/dbraw/zinc/81/45/41/599814541.db2.gz ZLKVGPZYBWSIGU-UHFFFAOYSA-N -1 1 383.403 1.969 20 0 GDADMM CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)OCc2cc(C(=O)[O-])co2)c1 ZINC000736165397 599817259 /nfs/dbraw/zinc/81/72/59/599817259.db2.gz MWWRNUBTMIEGOR-UHFFFAOYSA-N -1 1 396.377 1.665 20 0 GDADMM CN(CCCC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)C(=O)[O-] ZINC000737431354 599839078 /nfs/dbraw/zinc/83/90/78/599839078.db2.gz SMZMJSGOGMXBTH-UHFFFAOYSA-N -1 1 393.425 1.606 20 0 GDADMM Cc1ccc(N2CCC[C@H](N(C)CC(=O)NC3(C(=O)[O-])CCCCC3)C2)nn1 ZINC000738612768 599957268 /nfs/dbraw/zinc/95/72/68/599957268.db2.gz DFNFFTZWWUOYJE-INIZCTEOSA-N -1 1 389.500 1.589 20 0 GDADMM CN(C)[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Br)C1 ZINC000737359913 599983223 /nfs/dbraw/zinc/98/32/23/599983223.db2.gz YKXYVWOHYASXNY-MRVPVSSYSA-N -1 1 395.250 1.611 20 0 GDADMM O=C([C@H]1CCCCO1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000822917034 607423555 /nfs/dbraw/zinc/42/35/55/607423555.db2.gz LZUVHPNIQLMWHO-CYBMUJFWSA-N -1 1 399.411 1.332 20 0 GDADMM COC(=O)c1cc(NC(=O)CN[C@@](C)(CO)c2ccccc2)cc(C(=O)[O-])c1 ZINC000737666076 600142919 /nfs/dbraw/zinc/14/29/19/600142919.db2.gz KDALGPGJZTXGDY-FQEVSTJZSA-N -1 1 386.404 1.607 20 0 GDADMM CCc1cc2c(C[N@H+](CCN3CCOCC3)CC(=O)[O-])cc(=O)oc2cc1[O-] ZINC000737251878 600145457 /nfs/dbraw/zinc/14/54/57/600145457.db2.gz IQMLNTOOPIWCMJ-UHFFFAOYSA-N -1 1 390.436 1.280 20 0 GDADMM CCc1cc2c(C[N@@H+](CCN3CCOCC3)CC(=O)[O-])cc(=O)oc2cc1[O-] ZINC000737251878 600145459 /nfs/dbraw/zinc/14/54/59/600145459.db2.gz IQMLNTOOPIWCMJ-UHFFFAOYSA-N -1 1 390.436 1.280 20 0 GDADMM Cc1cc(NS(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)c(C(=O)[O-])[nH]1 ZINC000738464057 600176794 /nfs/dbraw/zinc/17/67/94/600176794.db2.gz ZNTVCKRBABGHHG-UHFFFAOYSA-N -1 1 387.439 1.072 20 0 GDADMM Cc1[nH]nc(S(=O)(=O)Nc2cc(N3CCCC3=O)ccc2Cl)c1C(=O)[O-] ZINC000738829200 600232722 /nfs/dbraw/zinc/23/27/22/600232722.db2.gz MDXZHALGCVRFLQ-UHFFFAOYSA-N -1 1 398.828 1.997 20 0 GDADMM CN(C)CCN(Cc1ccccn1)S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000737368185 600233527 /nfs/dbraw/zinc/23/35/27/600233527.db2.gz ZNOJSWRNRICTKJ-UHFFFAOYSA-N -1 1 377.466 1.673 20 0 GDADMM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000737568110 600241999 /nfs/dbraw/zinc/24/19/99/600241999.db2.gz UMABDEYXAYLKLC-PBHICJAKSA-N -1 1 376.453 1.462 20 0 GDADMM C[C@H](C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-])N1CCC(Cc2ccccc2)CC1 ZINC000736203693 600247581 /nfs/dbraw/zinc/24/75/81/600247581.db2.gz GDTBYXQMUZMAQR-CRAIPNDOSA-N -1 1 387.480 1.131 20 0 GDADMM CCN(C[C@@H]1COc2ccccc2O1)C(=O)CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000737093230 600295642 /nfs/dbraw/zinc/29/56/42/600295642.db2.gz DEMOLEIWZZSQDR-HZPDHXFCSA-N -1 1 388.464 1.862 20 0 GDADMM O=C([O-])[C@H]1CC12CCN(CC(=O)NCc1cccc(C(=O)NC3CC3)c1)CC2 ZINC000739277693 600306671 /nfs/dbraw/zinc/30/66/71/600306671.db2.gz GLUDECGUQUWMFV-QGZVFWFLSA-N -1 1 385.464 1.382 20 0 GDADMM O=C([O-])C1(NCC(=O)NCc2ccccc2CN2CCCC2=O)CCCCC1 ZINC000739308388 600319408 /nfs/dbraw/zinc/31/94/08/600319408.db2.gz JCUVCFHTWJDQOS-UHFFFAOYSA-N -1 1 387.480 1.802 20 0 GDADMM CN(Cc1ccc(NC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)cc1)C(=O)[O-] ZINC000737481417 600340863 /nfs/dbraw/zinc/34/08/63/600340863.db2.gz GLAZLLKJMMMVQE-IRXDYDNUSA-N -1 1 376.457 1.859 20 0 GDADMM COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1CCC(=O)N(C)CC(=O)[O-] ZINC000737971601 600412272 /nfs/dbraw/zinc/41/22/72/600412272.db2.gz FVZUWSJQINUBLV-HNNXBMFYSA-N -1 1 377.441 1.340 20 0 GDADMM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N(C)C[C@H](O)COCc1ccccc1 ZINC000736199542 600442163 /nfs/dbraw/zinc/44/21/63/600442163.db2.gz JMHUPEQFPYOHIW-YJBOKZPZSA-N -1 1 378.469 1.208 20 0 GDADMM CN(CC(=O)Nc1ccc(OCCCC(=O)[O-])cc1)c1ncnc2[nH]cnc21 ZINC000737396219 600480752 /nfs/dbraw/zinc/48/07/52/600480752.db2.gz CDHUZGZVJFJSPA-UHFFFAOYSA-N -1 1 384.396 1.671 20 0 GDADMM CN1CCN(c2cc(C(=O)N3Cc4ccccc4C[C@H]3C(=O)[O-])ccn2)CC1 ZINC000737529526 600492061 /nfs/dbraw/zinc/49/20/61/600492061.db2.gz ZDPYNXBMVKQCAD-SFHVURJKSA-N -1 1 380.448 1.485 20 0 GDADMM COc1ccc(NC(=O)NC(=O)CN(CCC(=O)[O-])C[C@@H]2CCCO2)cc1 ZINC000738030484 600510262 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GDADMM CCOC(=O)[C@H](C)NC(=O)c1ccc(NCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000825485860 607551349 /nfs/dbraw/zinc/55/13/49/607551349.db2.gz KNDVOGKPWQZZRO-LBPRGKRZSA-N -1 1 395.423 1.555 20 0 GDADMM CC[C@@H](CO)NC(=O)Cc1ccc(NCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000825121160 607551243 /nfs/dbraw/zinc/55/12/43/607551243.db2.gz QJNVMFGLDAOHAU-HNNXBMFYSA-N -1 1 381.440 1.303 20 0 GDADMM CC[C@@H](CO)NC(=O)Cc1ccc(NCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000825121160 607551245 /nfs/dbraw/zinc/55/12/45/607551245.db2.gz QJNVMFGLDAOHAU-HNNXBMFYSA-N -1 1 381.440 1.303 20 0 GDADMM CN1CCN(C[C@H](NC(=O)CC2CCN(C(=O)[O-])CC2)c2ccccc2)CC1 ZINC000739738250 602154905 /nfs/dbraw/zinc/15/49/05/602154905.db2.gz UCKUMPFZBMNEFD-IBGZPJMESA-N -1 1 388.512 1.871 20 0 GDADMM CS(=O)(=O)c1cc(NC(=O)N2CCC[C@@H]2CN2CCCC2)cc(C(=O)[O-])c1 ZINC000832709277 602215635 /nfs/dbraw/zinc/21/56/35/602215635.db2.gz KDRFJWUJMQQHTQ-OAHLLOKOSA-N -1 1 395.481 1.880 20 0 GDADMM COc1ccc(C)cc1[C@@]1(C)NC(=O)N(Cc2ccnc(-c3nnn[n-]3)c2)C1=O ZINC000826190306 607553161 /nfs/dbraw/zinc/55/31/61/607553161.db2.gz XDQMZHMRDWKBDN-LJQANCHMSA-N -1 1 393.407 1.546 20 0 GDADMM COc1ccc(C)cc1[C@@]1(C)NC(=O)N(Cc2ccnc(-c3nn[n-]n3)c2)C1=O ZINC000826190306 607553164 /nfs/dbraw/zinc/55/31/64/607553164.db2.gz XDQMZHMRDWKBDN-LJQANCHMSA-N -1 1 393.407 1.546 20 0 GDADMM CN1CCN(C[C@H](NC(=O)NCCN(C(=O)[O-])C2CC2)c2ccccc2)CC1 ZINC000739738291 602226852 /nfs/dbraw/zinc/22/68/52/602226852.db2.gz VAERFVRWNPREKV-SFHVURJKSA-N -1 1 389.500 1.417 20 0 GDADMM CN1CCN(C[C@@H](NC(=O)NCCN(C(=O)[O-])C2CC2)c2ccccc2)CC1 ZINC000739738290 602226949 /nfs/dbraw/zinc/22/69/49/602226949.db2.gz VAERFVRWNPREKV-GOSISDBHSA-N -1 1 389.500 1.417 20 0 GDADMM COCCOC(=O)C1C(C)=NC(=O)N[C@@H]1c1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000285268854 602232644 /nfs/dbraw/zinc/23/26/44/602232644.db2.gz SUERNPWNACHYQE-XHDPSFHLSA-N -1 1 378.381 1.356 20 0 GDADMM Cc1ccc(-n2ncc3c2ncn(Cc2ccnc(-c4nnn[n-]4)c2)c3=O)cc1 ZINC000826281471 607553936 /nfs/dbraw/zinc/55/39/36/607553936.db2.gz UFIXYGHYLGWVKI-UHFFFAOYSA-N -1 1 385.391 1.514 20 0 GDADMM Cc1ccc(-n2ncc3c2ncn(Cc2ccnc(-c4nn[n-]n4)c2)c3=O)cc1 ZINC000826281471 607553938 /nfs/dbraw/zinc/55/39/38/607553938.db2.gz UFIXYGHYLGWVKI-UHFFFAOYSA-N -1 1 385.391 1.514 20 0 GDADMM C[C@@H](NC(=O)CCNC(=O)c1n[nH]c2ccccc21)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738959727 602257757 /nfs/dbraw/zinc/25/77/57/602257757.db2.gz VMAMFDYNVIVABM-OLZOCXBDSA-N -1 1 387.440 1.578 20 0 GDADMM O=C([O-])N1CCC[C@@H]1C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000740452666 602292439 /nfs/dbraw/zinc/29/24/39/602292439.db2.gz FWZPDIRKOREKJJ-LLVKDONJSA-N -1 1 394.229 1.993 20 0 GDADMM O=C([O-])N1CCC[C@@H]1C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000740452666 602292440 /nfs/dbraw/zinc/29/24/40/602292440.db2.gz FWZPDIRKOREKJJ-LLVKDONJSA-N -1 1 394.229 1.993 20 0 GDADMM COc1c(C)cnc(CN2CCC(N(C)C(=O)CCNC(=O)[O-])CC2)c1C ZINC000737840127 602295391 /nfs/dbraw/zinc/29/53/91/602295391.db2.gz RHZVTFUHGVBQOA-UHFFFAOYSA-N -1 1 378.473 1.788 20 0 GDADMM COc1ccc(-c2n[nH]c(CNC(=O)[C@H](Cc3ccccc3)NC(=O)[O-])n2)cc1 ZINC000739880739 602364456 /nfs/dbraw/zinc/36/44/56/602364456.db2.gz UWNOBNBGBWIWNS-INIZCTEOSA-N -1 1 395.419 1.975 20 0 GDADMM COc1ccc(-c2nc(CNC(=O)[C@H](Cc3ccccc3)NC(=O)[O-])n[nH]2)cc1 ZINC000739880739 602364457 /nfs/dbraw/zinc/36/44/57/602364457.db2.gz UWNOBNBGBWIWNS-INIZCTEOSA-N -1 1 395.419 1.975 20 0 GDADMM Cc1cccc(N2CCN(CCCNC(=O)[C@H]3CSCN3C(=O)[O-])CC2)c1 ZINC000740170193 602390801 /nfs/dbraw/zinc/39/08/01/602390801.db2.gz NEEWWMQBWBESSJ-QGZVFWFLSA-N -1 1 392.525 1.676 20 0 GDADMM C[C@H]1CN(Cc2ccc(CNC(=O)NCCCNC(=O)[O-])cc2)C[C@H](C)O1 ZINC000739184853 602393757 /nfs/dbraw/zinc/39/37/57/602393757.db2.gz NATQLKYJVDXUJD-GJZGRUSLSA-N -1 1 378.473 1.753 20 0 GDADMM O=C([O-])N1CCC[C@H](CN2CCN(Cc3nnnn3-c3ccccc3)CC2)C1 ZINC000740510666 602434662 /nfs/dbraw/zinc/43/46/62/602434662.db2.gz IDJFYNIHTQSBOT-MRXNPFEDSA-N -1 1 385.472 1.170 20 0 GDADMM C[C@@H](NC(=O)[O-])C1CCN(CC(=O)NCCCN2CCCCCC2=O)CC1 ZINC000739025476 602443545 /nfs/dbraw/zinc/44/35/45/602443545.db2.gz KDPVWQQLYIPNPJ-OAHLLOKOSA-N -1 1 382.505 1.263 20 0 GDADMM C[C@H](NC(=O)[O-])C1CCN(CC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000739023489 602447588 /nfs/dbraw/zinc/44/75/88/602447588.db2.gz GPMCLXSAELVYJS-HNNXBMFYSA-N -1 1 392.475 1.842 20 0 GDADMM C[C@H](NC(=O)[O-])C1CC[NH+]([C@H]2CC(=O)N(c3cccc(C(=O)[O-])c3)C2=O)CC1 ZINC000739025425 602456639 /nfs/dbraw/zinc/45/66/39/602456639.db2.gz JMHRTXAGQHVWLA-NHYWBVRUSA-N -1 1 389.408 1.385 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)N2CCc3c[nH]nc3C2)c1-c1nn[n-]n1 ZINC000826231656 607569156 /nfs/dbraw/zinc/56/91/56/607569156.db2.gz UMJWYUSJQHMFRA-UHFFFAOYSA-N -1 1 382.453 1.783 20 0 GDADMM CN1CCN(C[C@@H]2CN(C(=O)c3ccc(F)c(NC(=O)[O-])c3)CCO2)CC1 ZINC000739736964 602515101 /nfs/dbraw/zinc/51/51/01/602515101.db2.gz KKFSRUIVTZQTPF-CQSZACIVSA-N -1 1 380.420 1.004 20 0 GDADMM CN(C[C@@H]1CCN(CC(=O)N2CCN(c3ccccc3F)CC2)C1)C(=O)[O-] ZINC000739660167 602528535 /nfs/dbraw/zinc/52/85/35/602528535.db2.gz LJGCLGUUOMTSMX-HNNXBMFYSA-N -1 1 378.448 1.406 20 0 GDADMM C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738952089 602530232 /nfs/dbraw/zinc/53/02/32/602530232.db2.gz JYLFDTDMWJSGRM-ZNMIVQPWSA-N -1 1 391.468 1.955 20 0 GDADMM C[C@H](NC(=O)[C@H](C)N1CC[C@@H](CN(C)C(=O)[O-])C1)c1ccc2c(c1)OCCO2 ZINC000738952086 602530250 /nfs/dbraw/zinc/53/02/50/602530250.db2.gz JYLFDTDMWJSGRM-KKUMJFAQSA-N -1 1 391.468 1.955 20 0 GDADMM CN(C[C@@H]1CCN(CC(=O)NCCc2nc3ccccc3s2)C1)C(=O)[O-] ZINC000739662031 602537517 /nfs/dbraw/zinc/53/75/17/602537517.db2.gz WIEGGLXFPWDYNU-ZDUSSCGKSA-N -1 1 376.482 1.887 20 0 GDADMM COc1ccnc(N2CCN(C(=O)NCCCN(C(=O)[O-])C(C)C)CC2)c1 ZINC000739982554 602562526 /nfs/dbraw/zinc/56/25/26/602562526.db2.gz BBAMTSHDBRXVCF-UHFFFAOYSA-N -1 1 379.461 1.700 20 0 GDADMM CN(CC(=O)Nc1cc(Br)ccc1N1CCN(C)CC1)C(=O)[O-] ZINC000739737014 602570376 /nfs/dbraw/zinc/57/03/76/602570376.db2.gz UKUQINLDOWCBQB-UHFFFAOYSA-N -1 1 385.262 1.749 20 0 GDADMM COc1ccc([C@H](CNC(=O)N[C@H]2CCN(C(=O)[O-])C2)N(C)C)cc1OC ZINC000739895923 602585824 /nfs/dbraw/zinc/58/58/24/602585824.db2.gz XCYIXAWIHYSVDI-KBPBESRZSA-N -1 1 380.445 1.358 20 0 GDADMM Cc1cccc(N2CCN(CCCNC(=O)N[C@@H]3CCN(C(=O)[O-])C3)CC2)c1 ZINC000740171673 602586192 /nfs/dbraw/zinc/58/61/92/602586192.db2.gz WTAYXDMTIPPHFJ-QGZVFWFLSA-N -1 1 389.500 1.559 20 0 GDADMM CC(C)OCCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824315674 607574958 /nfs/dbraw/zinc/57/49/58/607574958.db2.gz SZFHHNRLEMDJJF-UHFFFAOYSA-N -1 1 393.391 1.979 20 0 GDADMM C[C@H](CNC(=O)[O-])N(C)C(=O)N[C@H](CN1CCN(C)CC1)c1ccccc1 ZINC000738931489 602627975 /nfs/dbraw/zinc/62/79/75/602627975.db2.gz RXYYCBLPOOIVSN-NVXWUHKLSA-N -1 1 377.489 1.273 20 0 GDADMM CN1CCC[C@H](NC(=O)C(=O)Nc2ccc(NC(=O)[O-])cc2C(F)(F)F)C1 ZINC000739728560 602660765 /nfs/dbraw/zinc/66/07/65/602660765.db2.gz KBIWARMLGZDXAE-JTQLQIEISA-N -1 1 388.346 1.944 20 0 GDADMM O=S(=O)(NCCOc1ccccc1F)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826491464 607577892 /nfs/dbraw/zinc/57/78/92/607577892.db2.gz KOOZHXOHOAZQAI-UHFFFAOYSA-N -1 1 381.364 1.502 20 0 GDADMM CCCN(C(=O)c1ccnc(N2CCN(C)CC2)c1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739346439 602712557 /nfs/dbraw/zinc/71/25/57/602712557.db2.gz QOBLCBYAVSFXDY-MRXNPFEDSA-N -1 1 375.473 1.438 20 0 GDADMM C[C@@H](NC(=O)[O-])C1CCN(C(=O)c2ccnc(N3CCN(C)CC3)c2)CC1 ZINC000739015621 602713159 /nfs/dbraw/zinc/71/31/59/602713159.db2.gz LMQVZXBNENZAEM-CQSZACIVSA-N -1 1 375.473 1.342 20 0 GDADMM CN1CCN(C[C@H](NC(=O)N2CC[C@@H](NC(=O)[O-])C2)c2ccccc2)CC1 ZINC000739739309 602713620 /nfs/dbraw/zinc/71/36/20/602713620.db2.gz ZTFGBCVTYCGGKW-SJORKVTESA-N -1 1 375.473 1.027 20 0 GDADMM COc1ccc(OC)c(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000826210814 607582058 /nfs/dbraw/zinc/58/20/58/607582058.db2.gz GEMPPESDUSTXOW-UHFFFAOYSA-N -1 1 393.400 1.502 20 0 GDADMM COc1ccc(C)cc1CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826189986 607583925 /nfs/dbraw/zinc/58/39/25/607583925.db2.gz LRDXTOWAKKJEJA-UHFFFAOYSA-N -1 1 377.401 1.801 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N(C[C@H]1CCOC1)C1CC1 ZINC000826494739 607589217 /nfs/dbraw/zinc/58/92/17/607589217.db2.gz NGLARAPGRUTGDH-SNVBAGLBSA-N -1 1 383.861 1.710 20 0 GDADMM COc1ccccc1[C@H](CNC(=O)[C@@H]1COCCN1C(=O)[O-])N1CCCCC1 ZINC000739959343 602856780 /nfs/dbraw/zinc/85/67/80/602856780.db2.gz NVLXBDRPJLIJNS-IRXDYDNUSA-N -1 1 391.468 1.717 20 0 GDADMM COc1cccc(CCNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000826216392 607590488 /nfs/dbraw/zinc/59/04/88/607590488.db2.gz WWWWQCAJKVYYNB-UHFFFAOYSA-N -1 1 377.401 1.535 20 0 GDADMM CC(C)CNC(=O)c1cccc(CN(C)CCN2CCN(C(=O)[O-])CC2)c1 ZINC000738831394 602866755 /nfs/dbraw/zinc/86/67/55/602866755.db2.gz WVWUGQSUKDIUCA-UHFFFAOYSA-N -1 1 376.501 1.800 20 0 GDADMM C[C@@H]1CN(C(=O)NCc2ccc(N3CCN(C)CC3)nc2)C[C@@H](C)N1C(=O)[O-] ZINC000739138383 602886439 /nfs/dbraw/zinc/88/64/39/602886439.db2.gz JDZHCNHRQVHFQP-HUUCEWRRSA-N -1 1 390.488 1.116 20 0 GDADMM C[C@H]1CN(C(=O)NCc2cccnc2N2CCN(C)CC2)C[C@H](C)N1C(=O)[O-] ZINC000739147614 602895508 /nfs/dbraw/zinc/89/55/08/602895508.db2.gz NRRPHJUYTHLZFC-GJZGRUSLSA-N -1 1 390.488 1.116 20 0 GDADMM CCOCCN1CCN(C(=O)N[C@H](C)[C@H]2CCCN(C(=O)[O-])C2)C[C@@H]1CC ZINC000739489120 602974098 /nfs/dbraw/zinc/97/40/98/602974098.db2.gz PYHAVFYFNOBXAP-IKGGRYGDSA-N -1 1 384.521 1.907 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CN2CCOCC2)C1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823662727 602998645 /nfs/dbraw/zinc/99/86/45/602998645.db2.gz PJTRTHXXPWIVAJ-XYJFISCASA-N -1 1 375.469 1.812 20 0 GDADMM C[C@H]1CN(c2ccc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)cn2)C[C@H](C)O1 ZINC000824991584 607600347 /nfs/dbraw/zinc/60/03/47/607600347.db2.gz CKTWTRHWXGITFZ-STQMWFEESA-N -1 1 395.423 1.627 20 0 GDADMM C[C@H]1CN(c2ccc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)cn2)C[C@H](C)O1 ZINC000824991584 607600349 /nfs/dbraw/zinc/60/03/49/607600349.db2.gz CKTWTRHWXGITFZ-STQMWFEESA-N -1 1 395.423 1.627 20 0 GDADMM CN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000739730015 603049574 /nfs/dbraw/zinc/04/95/74/603049574.db2.gz XENJWERYBWUDEO-SNVBAGLBSA-N -1 1 388.346 1.944 20 0 GDADMM Nc1c(Br)cccc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826395634 607603263 /nfs/dbraw/zinc/60/32/63/607603263.db2.gz MNPGANFIOFMCFG-UHFFFAOYSA-N -1 1 375.186 1.963 20 0 GDADMM Nc1c(Br)cccc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826395634 607603264 /nfs/dbraw/zinc/60/32/64/607603264.db2.gz MNPGANFIOFMCFG-UHFFFAOYSA-N -1 1 375.186 1.963 20 0 GDADMM CC[C@@H]1CN(C(=O)[C@H](C)[C@H](NC(=O)[O-])c2ccccc2)CCN1C[C@@H](C)O ZINC000826675473 603058090 /nfs/dbraw/zinc/05/80/90/603058090.db2.gz LJZMOXWMVBKWGA-AHCXZYCDSA-N -1 1 377.485 1.935 20 0 GDADMM O=S(=O)(NCc1ccc2c(c1)CCO2)c1cccc(F)c1-c1nnn[n-]1 ZINC000826491949 607604257 /nfs/dbraw/zinc/60/42/57/607604257.db2.gz LMPKEFDMLUZGBZ-UHFFFAOYSA-N -1 1 375.385 1.419 20 0 GDADMM O=S(=O)(NCc1ccc2c(c1)CCO2)c1cccc(F)c1-c1nn[n-]n1 ZINC000826491949 607604258 /nfs/dbraw/zinc/60/42/58/607604258.db2.gz LMPKEFDMLUZGBZ-UHFFFAOYSA-N -1 1 375.385 1.419 20 0 GDADMM CCc1nnc([C@@H]2CN(C(=O)[C@H](C)[C@@H](NC(=O)[O-])c3ccccc3)CCO2)[nH]1 ZINC000827620066 603076285 /nfs/dbraw/zinc/07/62/85/603076285.db2.gz DLMLZJSJAXCDMH-IVMMDQJWSA-N -1 1 387.440 1.912 20 0 GDADMM CCCc1nnc([C@@H]2CN(C(=O)[C@H](Cc3ccccc3)NC(=O)[O-])CCO2)[nH]1 ZINC000826954386 603079714 /nfs/dbraw/zinc/07/97/14/603079714.db2.gz RAERWLLKLHWODP-GJZGRUSLSA-N -1 1 387.440 1.536 20 0 GDADMM CCCc1n[nH]c([C@@H]2CN(C(=O)[C@H](Cc3ccccc3)NC(=O)[O-])CCO2)n1 ZINC000826954386 603079719 /nfs/dbraw/zinc/07/97/19/603079719.db2.gz RAERWLLKLHWODP-GJZGRUSLSA-N -1 1 387.440 1.536 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cc(F)ccc1N1CCOCC1 ZINC000826467238 607606439 /nfs/dbraw/zinc/60/64/39/607606439.db2.gz NDHMXBFOCFJYNM-UHFFFAOYSA-N -1 1 384.371 1.594 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cc(F)ccc1N1CCOCC1 ZINC000826467238 607606442 /nfs/dbraw/zinc/60/64/42/607606442.db2.gz NDHMXBFOCFJYNM-UHFFFAOYSA-N -1 1 384.371 1.594 20 0 GDADMM Cc1ccc(C(N)=O)cc1OS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826284565 607608823 /nfs/dbraw/zinc/60/88/23/607608823.db2.gz XTOMZKJXMRQYEV-UHFFFAOYSA-N -1 1 393.812 1.695 20 0 GDADMM Cc1ccc(C(N)=O)cc1OS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826284565 607608824 /nfs/dbraw/zinc/60/88/24/607608824.db2.gz XTOMZKJXMRQYEV-UHFFFAOYSA-N -1 1 393.812 1.695 20 0 GDADMM CN(C[C@@H]1CCCN1C(=O)CCn1c(=O)c2ccccc2[nH]c1=S)C(=O)[O-] ZINC000828192138 603158261 /nfs/dbraw/zinc/15/82/61/603158261.db2.gz RBPYKRBPIAYIJW-LBPRGKRZSA-N -1 1 390.465 1.676 20 0 GDADMM O=S(=O)(NC[C@H]1CCOc2ccccc21)c1cccc(F)c1-c1nnn[n-]1 ZINC000826490096 607612052 /nfs/dbraw/zinc/61/20/52/607612052.db2.gz JRTSOXBVXVUPNO-LLVKDONJSA-N -1 1 389.412 1.850 20 0 GDADMM O=S(=O)(NC[C@H]1CCOc2ccccc21)c1cccc(F)c1-c1nn[n-]n1 ZINC000826490096 607612054 /nfs/dbraw/zinc/61/20/54/607612054.db2.gz JRTSOXBVXVUPNO-LLVKDONJSA-N -1 1 389.412 1.850 20 0 GDADMM CC(C)n1cc([C@H](C)NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cn1 ZINC000824640106 607614739 /nfs/dbraw/zinc/61/47/39/607614739.db2.gz AJNVOKFOIVYNBS-JTQLQIEISA-N -1 1 379.421 1.823 20 0 GDADMM CN1CCN(c2ccc(CNC(=O)[C@@H]3CCC[C@@H](NC(=O)[O-])C3)cn2)CC1 ZINC000739736347 603235346 /nfs/dbraw/zinc/23/53/46/603235346.db2.gz KKCQAMPNQHGMDM-HZPDHXFCSA-N -1 1 375.473 1.276 20 0 GDADMM O=C([O-])N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000740344327 603241240 /nfs/dbraw/zinc/24/12/40/603241240.db2.gz FXDFYEMDHHIEQJ-KSZLIROESA-N -1 1 379.501 1.868 20 0 GDADMM CN(CCCNC(=O)[O-])CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000739680878 603258846 /nfs/dbraw/zinc/25/88/46/603258846.db2.gz ADMDTNVSJOGUOP-UHFFFAOYSA-N -1 1 380.401 1.086 20 0 GDADMM O=S(=O)(NCCOc1cccnc1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826491663 607618209 /nfs/dbraw/zinc/61/82/09/607618209.db2.gz UODIFZREDPNYSO-UHFFFAOYSA-N -1 1 380.817 1.272 20 0 GDADMM O=S(=O)(NCCOc1cccnc1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826491663 607618211 /nfs/dbraw/zinc/61/82/11/607618211.db2.gz UODIFZREDPNYSO-UHFFFAOYSA-N -1 1 380.817 1.272 20 0 GDADMM Cn1cc(C2CCN(S(=O)(=O)c3ccc(F)cc3-c3nn[n-]n3)CC2)cn1 ZINC000826359235 607620151 /nfs/dbraw/zinc/62/01/51/607620151.db2.gz ANMSKVFHXAPFQY-UHFFFAOYSA-N -1 1 391.432 1.308 20 0 GDADMM O=C([O-])NCCOc1cccc(NS(=O)(=O)c2cccc3c2COC3=O)c1 ZINC000832671807 603399450 /nfs/dbraw/zinc/39/94/50/603399450.db2.gz IVRXBOUHTSSOSE-UHFFFAOYSA-N -1 1 392.389 1.804 20 0 GDADMM COc1ccccc1[C@H](O)CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826218415 607626817 /nfs/dbraw/zinc/62/68/17/607626817.db2.gz BEVCXFVEDKZDTJ-GFCCVEGCSA-N -1 1 393.400 1.026 20 0 GDADMM COc1ccccc1[C@H](O)CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826218415 607626818 /nfs/dbraw/zinc/62/68/18/607626818.db2.gz BEVCXFVEDKZDTJ-GFCCVEGCSA-N -1 1 393.400 1.026 20 0 GDADMM O=S(=O)(NC[C@@H](O)c1cccc(F)c1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826489534 607629699 /nfs/dbraw/zinc/62/96/99/607629699.db2.gz SSIKHFYHBFNIAV-GFCCVEGCSA-N -1 1 397.819 1.671 20 0 GDADMM O=S(=O)(NC[C@@H](O)c1cccc(F)c1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826489534 607629700 /nfs/dbraw/zinc/62/97/00/607629700.db2.gz SSIKHFYHBFNIAV-GFCCVEGCSA-N -1 1 397.819 1.671 20 0 GDADMM O=C([O-])N(CC1CC1)C1CCN(C(=O)NCCCCN2CCOCC2)CC1 ZINC000831665632 603478065 /nfs/dbraw/zinc/47/80/65/603478065.db2.gz LOMDFVXOFGUCNR-UHFFFAOYSA-N -1 1 382.505 1.663 20 0 GDADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N(C)CC(C)(C)CNC(=O)[O-] ZINC000825457807 603508435 /nfs/dbraw/zinc/50/84/35/603508435.db2.gz BZMGUBSZNWTFJV-NSHDSACASA-N -1 1 375.429 1.433 20 0 GDADMM CCCc1nc([C@H]2CN(C(=O)NC3C[C@H]4CC[C@@H](C3)N4C(=O)[O-])CCO2)n[nH]1 ZINC000826954856 603526126 /nfs/dbraw/zinc/52/61/26/603526126.db2.gz VOJCBEPOGNILNQ-WTUNAVPPSA-N -1 1 392.460 1.514 20 0 GDADMM CCCc1n[nH]c([C@H]2CN(C(=O)NC3C[C@H]4CC[C@@H](C3)N4C(=O)[O-])CCO2)n1 ZINC000826954856 603526130 /nfs/dbraw/zinc/52/61/30/603526130.db2.gz VOJCBEPOGNILNQ-WTUNAVPPSA-N -1 1 392.460 1.514 20 0 GDADMM CN(Cc1cc(=O)n2cc(Br)ccc2n1)[C@H]1CCN(C(=O)[O-])C1 ZINC000828345451 603531629 /nfs/dbraw/zinc/53/16/29/603531629.db2.gz CTQBHRZTDFLTFF-LBPRGKRZSA-N -1 1 381.230 1.641 20 0 GDADMM NC(=O)C1CCN(c2ncccc2CNCc2ccc(NC(=O)[O-])nc2)CC1 ZINC000831177790 603547726 /nfs/dbraw/zinc/54/77/26/603547726.db2.gz APJZATJDYTWKJJ-UHFFFAOYSA-N -1 1 384.440 1.558 20 0 GDADMM C[C@H]1[C@@H](c2ccccc2)CCN1CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O ZINC000825777677 603606575 /nfs/dbraw/zinc/60/65/75/603606575.db2.gz AHKRYLIGUOYNQC-HOCLYGCPSA-N -1 1 386.452 1.886 20 0 GDADMM CC(C)C[C@H](CNC(=O)[O-])NC(=O)NCc1cccnc1N1CCN(C)CC1 ZINC000824196745 603626660 /nfs/dbraw/zinc/62/66/60/603626660.db2.gz NBFLNSXFZCZNBA-MRXNPFEDSA-N -1 1 392.504 1.315 20 0 GDADMM O=S(=O)(NC[C@H](O)c1c(F)cccc1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000826488977 607644270 /nfs/dbraw/zinc/64/42/70/607644270.db2.gz DVKBIXMBZSDVBJ-LBPRGKRZSA-N -1 1 398.807 1.066 20 0 GDADMM O=S(=O)(NC[C@H](O)c1c(F)cccc1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000826488977 607644272 /nfs/dbraw/zinc/64/42/72/607644272.db2.gz DVKBIXMBZSDVBJ-LBPRGKRZSA-N -1 1 398.807 1.066 20 0 GDADMM CCN(C[C@H]1CCN(CN2CC3(CN(C(=O)[O-])C3)CC2=O)C1)CC(F)(F)F ZINC000827099063 603763034 /nfs/dbraw/zinc/76/30/34/603763034.db2.gz KQEOBTTVHIYDFJ-CYBMUJFWSA-N -1 1 392.422 1.362 20 0 GDADMM C[C@H](COCc1ccccc1)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824440592 607652243 /nfs/dbraw/zinc/65/22/43/607652243.db2.gz GTUGBHRDZTVHKO-GFCCVEGCSA-N -1 1 391.428 1.889 20 0 GDADMM C[C@H](COCc1ccccc1)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824440592 607652244 /nfs/dbraw/zinc/65/22/44/607652244.db2.gz GTUGBHRDZTVHKO-GFCCVEGCSA-N -1 1 391.428 1.889 20 0 GDADMM O=S(=O)(NCC[C@@H](O)c1ccccc1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826490672 607654866 /nfs/dbraw/zinc/65/48/66/607654866.db2.gz CTQVOQHWLXWVRN-CQSZACIVSA-N -1 1 377.401 1.408 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)CCN1CCN(c2ccccn2)CC1)C(=O)[O-] ZINC000828192158 603865664 /nfs/dbraw/zinc/86/56/64/603865664.db2.gz RKDVTFKEIIDNFM-MRXNPFEDSA-N -1 1 375.473 1.195 20 0 GDADMM CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(-c2nc(CNC(=O)[O-])n[nH]2)cc1 ZINC000823568669 603910723 /nfs/dbraw/zinc/91/07/23/603910723.db2.gz RLSIVCBPNYPZHR-LBPRGKRZSA-N -1 1 390.425 1.099 20 0 GDADMM CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(-c2n[nH]c(CNC(=O)[O-])n2)cc1 ZINC000823568669 603910725 /nfs/dbraw/zinc/91/07/25/603910725.db2.gz RLSIVCBPNYPZHR-LBPRGKRZSA-N -1 1 390.425 1.099 20 0 GDADMM COC[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826149821 607659392 /nfs/dbraw/zinc/65/93/92/607659392.db2.gz PQIOYFGROYRYEW-CYBMUJFWSA-N -1 1 391.428 1.542 20 0 GDADMM COC[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826149821 607659394 /nfs/dbraw/zinc/65/93/94/607659394.db2.gz PQIOYFGROYRYEW-CYBMUJFWSA-N -1 1 391.428 1.542 20 0 GDADMM CC1=C(C(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)C(=O)OC1(C)C ZINC000825772609 603912046 /nfs/dbraw/zinc/91/20/46/603912046.db2.gz NNWDJFXGFLYPFQ-UHFFFAOYSA-N -1 1 385.380 1.830 20 0 GDADMM CC1=C(C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)C(=O)OC1(C)C ZINC000825772609 603912053 /nfs/dbraw/zinc/91/20/53/603912053.db2.gz NNWDJFXGFLYPFQ-UHFFFAOYSA-N -1 1 385.380 1.830 20 0 GDADMM CC[C@@H]1CN(C(=O)C[C@@H](Cc2ccccc2)NC(=O)[O-])CCN1C[C@H](C)O ZINC000826680258 603991081 /nfs/dbraw/zinc/99/10/81/603991081.db2.gz AHJMHSBMMAMOMY-CGTJXYLNSA-N -1 1 377.485 1.559 20 0 GDADMM C[C@@H]1CN(C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)CC[C@H]1NC(=O)[O-] ZINC000825987798 604004732 /nfs/dbraw/zinc/00/47/32/604004732.db2.gz FZIDDRMMFXPNEX-ZYHUDNBSSA-N -1 1 376.438 1.190 20 0 GDADMM C[C@H](OC(=O)CC1CN(C(=O)[O-])C1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000825580782 604087625 /nfs/dbraw/zinc/08/76/25/604087625.db2.gz XIAZXZHJKFQINM-YOEHRIQHSA-N -1 1 389.452 1.309 20 0 GDADMM CC1(C2CCN(S(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)CC2)OCCO1 ZINC000824817047 607671857 /nfs/dbraw/zinc/67/18/57/607671857.db2.gz KINGNHKKXTXWPE-UHFFFAOYSA-N -1 1 397.432 1.170 20 0 GDADMM CC1(C2CCN(S(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)CC2)OCCO1 ZINC000824817047 607671859 /nfs/dbraw/zinc/67/18/59/607671859.db2.gz KINGNHKKXTXWPE-UHFFFAOYSA-N -1 1 397.432 1.170 20 0 GDADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(CC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000825254416 604176497 /nfs/dbraw/zinc/17/64/97/604176497.db2.gz 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605673693 /nfs/dbraw/zinc/67/36/93/605673693.db2.gz CSPTWTOEBISWDY-MJGOQNOKSA-N -1 1 387.480 1.977 20 0 GDADMM N=C(NOCc1cn(-c2ccc(Cl)cc2)nn1)[C@H]1COCCN1C(=O)[O-] ZINC000833979719 605731530 /nfs/dbraw/zinc/73/15/30/605731530.db2.gz JJHYCSMDYNJTPA-CYBMUJFWSA-N -1 1 380.792 1.298 20 0 GDADMM CC[C@@]1(C(=O)NCc2ccc(N3CCN(C)CC3)nc2)CCCN1C(=O)[O-] ZINC000833843403 605758375 /nfs/dbraw/zinc/75/83/75/605758375.db2.gz LRMXTRGTHGMFPR-IBGZPJMESA-N -1 1 375.473 1.372 20 0 GDADMM O=C([O-])N1CC[C@@]2(C1)C[C@H](NCCNC(=O)c1ccn[nH]1)c1ccccc1O2 ZINC000834041185 605810298 /nfs/dbraw/zinc/81/02/98/605810298.db2.gz JXBOGPLBWNJMLM-KXBFYZLASA-N -1 1 385.424 1.375 20 0 GDADMM O=C(Nc1cccc(F)c1[O-])c1sccc1S(=O)(=O)N1CCOCC1 ZINC000530004590 649962780 /nfs/dbraw/zinc/96/27/80/649962780.db2.gz CFNPNRATNXTIHA-UHFFFAOYSA-N -1 1 386.426 1.866 20 0 GDADMM O=C([O-])N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)C1CC1 ZINC000834003996 605959563 /nfs/dbraw/zinc/95/95/63/605959563.db2.gz WBIVYMAOYRNLTJ-UHFFFAOYSA-N -1 1 391.409 1.358 20 0 GDADMM C[C@@H]1[C@@H](C)N(C(=O)[O-])CCN1CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000833826349 606040426 /nfs/dbraw/zinc/04/04/26/606040426.db2.gz GUESOYIPJLVRMQ-GHMZBOCLSA-N -1 1 382.848 1.840 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N(Cc2ccncc2)Cc2cccnc2)n1 ZINC000822604972 606155482 /nfs/dbraw/zinc/15/54/82/606155482.db2.gz SHIGAMVQFWPVOX-UHFFFAOYSA-N -1 1 390.411 1.625 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N(Cc2ccncc2)Cc2cccnc2)n1 ZINC000822604972 606155483 /nfs/dbraw/zinc/15/54/83/606155483.db2.gz SHIGAMVQFWPVOX-UHFFFAOYSA-N -1 1 390.411 1.625 20 0 GDADMM CC1CCN(c2ccc(CNC(=O)Nc3nn(C)cc3-c3nnn[n-]3)cn2)CC1 ZINC000820726892 606159231 /nfs/dbraw/zinc/15/92/31/606159231.db2.gz CPXJHIIMPWDEON-UHFFFAOYSA-N -1 1 396.459 1.553 20 0 GDADMM CC1CCN(c2ccc(CNC(=O)Nc3nn(C)cc3-c3nn[n-]n3)cn2)CC1 ZINC000820726892 606159233 /nfs/dbraw/zinc/15/92/33/606159233.db2.gz CPXJHIIMPWDEON-UHFFFAOYSA-N -1 1 396.459 1.553 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)n1 ZINC000822609595 606163254 /nfs/dbraw/zinc/16/32/54/606163254.db2.gz RKCZQXUIRGKVMC-UHFFFAOYSA-N -1 1 381.375 1.811 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)n1 ZINC000822609595 606163256 /nfs/dbraw/zinc/16/32/56/606163256.db2.gz RKCZQXUIRGKVMC-UHFFFAOYSA-N -1 1 381.375 1.811 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)O[C@@H](C)[C@H]1CCOC1 ZINC000822459834 606182281 /nfs/dbraw/zinc/18/22/81/606182281.db2.gz YHSDZGRURUVBMD-STQMWFEESA-N -1 1 385.428 1.427 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)O[C@@H](C)[C@H]1CCOC1 ZINC000822459834 606182283 /nfs/dbraw/zinc/18/22/83/606182283.db2.gz YHSDZGRURUVBMD-STQMWFEESA-N -1 1 385.428 1.427 20 0 GDADMM COC(=O)c1cccc(OCc2noc(-c3ccc(-c4nnn[n-]4)nc3)n2)c1 ZINC000821670148 606182333 /nfs/dbraw/zinc/18/23/33/606182333.db2.gz PBDAOZMTSNJIFW-UHFFFAOYSA-N -1 1 379.336 1.677 20 0 GDADMM COC(=O)c1cccc(OCc2noc(-c3ccc(-c4nn[n-]n4)nc3)n2)c1 ZINC000821670148 606182334 /nfs/dbraw/zinc/18/23/34/606182334.db2.gz PBDAOZMTSNJIFW-UHFFFAOYSA-N -1 1 379.336 1.677 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@H](CCO)CC(C)C ZINC000822004449 606194568 /nfs/dbraw/zinc/19/45/68/606194568.db2.gz HOMLWWKBUVUISD-CQSZACIVSA-N -1 1 390.488 1.678 20 0 GDADMM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(-c2nn[nH]n2)ccc1O ZINC000822035108 606210682 /nfs/dbraw/zinc/21/06/82/606210682.db2.gz QFFYJJDMFDEZEY-UHFFFAOYSA-N -1 1 393.356 1.519 20 0 GDADMM COc1cc(OC)cc(N2CC[C@@H](Nc3cccc(-c4nnn[n-]4)n3)C2=O)c1 ZINC000821723857 606240597 /nfs/dbraw/zinc/24/05/97/606240597.db2.gz KLDLRQRZTNMSFC-OAHLLOKOSA-N -1 1 381.396 1.496 20 0 GDADMM COc1cc(OC)cc(N2CC[C@@H](Nc3cccc(-c4nn[n-]n4)n3)C2=O)c1 ZINC000821723857 606240598 /nfs/dbraw/zinc/24/05/98/606240598.db2.gz KLDLRQRZTNMSFC-OAHLLOKOSA-N -1 1 381.396 1.496 20 0 GDADMM COC(=O)c1cn(CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c2ccccc12 ZINC000821671450 606294043 /nfs/dbraw/zinc/29/40/43/606294043.db2.gz WHXRMFQKLWCYBM-UHFFFAOYSA-N -1 1 392.375 1.952 20 0 GDADMM CCn1ncc2c1CCC[C@H]2NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821568126 606332829 /nfs/dbraw/zinc/33/28/29/606332829.db2.gz IJQISDLNADAYES-CQSZACIVSA-N -1 1 391.432 1.578 20 0 GDADMM COC(=O)CCCCCNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821660407 606391575 /nfs/dbraw/zinc/39/15/75/606391575.db2.gz QAMMVAYROXCTRR-UHFFFAOYSA-N -1 1 390.444 1.366 20 0 GDADMM CCn1cc(-c2nn[n-]n2)c(=O)n(CCCc2ccc(C(F)(F)F)cc2)c1=O ZINC000821565505 606399265 /nfs/dbraw/zinc/39/92/65/606399265.db2.gz VWWMNIBAELNISB-UHFFFAOYSA-N -1 1 394.357 1.862 20 0 GDADMM O=C(Cc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1)N1CCOCC1 ZINC000823082823 606412013 /nfs/dbraw/zinc/41/20/13/606412013.db2.gz RUSINTFKDZCSMJ-UHFFFAOYSA-N -1 1 384.465 1.942 20 0 GDADMM O=C(Nc1cccc(Cn2cccnc2=O)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823364061 606516041 /nfs/dbraw/zinc/51/60/41/606516041.db2.gz XRGQAGBDLSOWEH-UHFFFAOYSA-N -1 1 379.405 1.786 20 0 GDADMM O=C(Nc1cccc(Cn2cccnc2=O)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823364061 606516042 /nfs/dbraw/zinc/51/60/42/606516042.db2.gz XRGQAGBDLSOWEH-UHFFFAOYSA-N -1 1 379.405 1.786 20 0 GDADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1cccc(NS(C)(=O)=O)c1 ZINC000820390101 606525826 /nfs/dbraw/zinc/52/58/26/606525826.db2.gz FEIIWAOKIZJCLS-SECBINFHSA-N -1 1 392.466 1.791 20 0 GDADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1cccc(NS(C)(=O)=O)c1 ZINC000820390101 606525828 /nfs/dbraw/zinc/52/58/28/606525828.db2.gz FEIIWAOKIZJCLS-SECBINFHSA-N -1 1 392.466 1.791 20 0 GDADMM O=C(Cn1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cn1)NC1CCCC1 ZINC000823118619 606540624 /nfs/dbraw/zinc/54/06/24/606540624.db2.gz IXEBNQPBUJODTJ-UHFFFAOYSA-N -1 1 386.441 1.436 20 0 GDADMM O=C(Cn1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cn1)NC1CCCC1 ZINC000823118619 606540627 /nfs/dbraw/zinc/54/06/27/606540627.db2.gz IXEBNQPBUJODTJ-UHFFFAOYSA-N -1 1 386.441 1.436 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CSC[C@@H]1C(=O)N1CCSCC1 ZINC000822918035 606541585 /nfs/dbraw/zinc/54/15/85/606541585.db2.gz YBGZGCOEJIEDEJ-SECBINFHSA-N -1 1 396.523 1.019 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CSC[C@@H]1C(=O)N1CCSCC1 ZINC000822918035 606541587 /nfs/dbraw/zinc/54/15/87/606541587.db2.gz YBGZGCOEJIEDEJ-SECBINFHSA-N -1 1 396.523 1.019 20 0 GDADMM O=C(N[C@H](Cc1ccccc1)CN1CCOCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823140541 606559044 /nfs/dbraw/zinc/55/90/44/606559044.db2.gz WBSZFVAALYVIEA-OAHLLOKOSA-N -1 1 398.492 1.602 20 0 GDADMM O=C(N[C@H](Cc1ccccc1)CN1CCOCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823140541 606559045 /nfs/dbraw/zinc/55/90/45/606559045.db2.gz WBSZFVAALYVIEA-OAHLLOKOSA-N -1 1 398.492 1.602 20 0 GDADMM O=C(N[C@@H]1CC(=O)N(CCOc2ccccc2)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823144387 606573359 /nfs/dbraw/zinc/57/33/59/606573359.db2.gz GHQJSLRPTBVEGI-GFCCVEGCSA-N -1 1 398.448 1.338 20 0 GDADMM O=C(N[C@@H]1CC(=O)N(CCOc2ccccc2)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823144387 606573361 /nfs/dbraw/zinc/57/33/61/606573361.db2.gz GHQJSLRPTBVEGI-GFCCVEGCSA-N -1 1 398.448 1.338 20 0 GDADMM O=C(N[C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823144554 606578187 /nfs/dbraw/zinc/57/81/87/606578187.db2.gz IJONDOISUSOKMG-RDBSUJKOSA-N -1 1 394.460 1.815 20 0 GDADMM O=C(N[C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823144554 606578188 /nfs/dbraw/zinc/57/81/88/606578188.db2.gz IJONDOISUSOKMG-RDBSUJKOSA-N -1 1 394.460 1.815 20 0 GDADMM COC[C@@H]1CCCN1C(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000821684097 606581096 /nfs/dbraw/zinc/58/10/96/606581096.db2.gz RSDXLRDUTGGHFM-ZDUSSCGKSA-N -1 1 384.444 1.096 20 0 GDADMM COC[C@@H]1CCCN1C(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000821684097 606581097 /nfs/dbraw/zinc/58/10/97/606581097.db2.gz RSDXLRDUTGGHFM-ZDUSSCGKSA-N -1 1 384.444 1.096 20 0 GDADMM CCC(=O)N1CSC[C@@H]1C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000820838556 606589844 /nfs/dbraw/zinc/58/98/44/606589844.db2.gz WANCTVIVUDODNA-SNVBAGLBSA-N -1 1 378.462 1.068 20 0 GDADMM CCC(=O)N1CSC[C@@H]1C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000820838556 606589846 /nfs/dbraw/zinc/58/98/46/606589846.db2.gz WANCTVIVUDODNA-SNVBAGLBSA-N -1 1 378.462 1.068 20 0 GDADMM Cc1ccccc1[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)C(C)(C)C ZINC000822352343 606643609 /nfs/dbraw/zinc/64/36/09/606643609.db2.gz XMPPXACQZVDFNF-AWEZNQCLSA-N -1 1 383.456 1.772 20 0 GDADMM O=C(Nc1cccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1)[C@H]1CCCO1 ZINC000823436087 606647477 /nfs/dbraw/zinc/64/74/77/606647477.db2.gz GFPCERMNJCHHBZ-MRXNPFEDSA-N -1 1 394.391 1.736 20 0 GDADMM O=C(Nc1cccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1)[C@H]1CCCO1 ZINC000823436087 606647478 /nfs/dbraw/zinc/64/74/78/606647478.db2.gz GFPCERMNJCHHBZ-MRXNPFEDSA-N -1 1 394.391 1.736 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cccn(Cc2ccccc2)c1=O ZINC000823436150 606651475 /nfs/dbraw/zinc/65/14/75/606651475.db2.gz JIIJDCRCGDJIDF-UHFFFAOYSA-N -1 1 388.387 1.829 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cccn(Cc2ccccc2)c1=O ZINC000823436150 606651476 /nfs/dbraw/zinc/65/14/76/606651476.db2.gz JIIJDCRCGDJIDF-UHFFFAOYSA-N -1 1 388.387 1.829 20 0 GDADMM CN(C(=O)C1CC1)c1ccccc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821569472 606651705 /nfs/dbraw/zinc/65/17/05/606651705.db2.gz LHBBEBHQTLYYBU-UHFFFAOYSA-N -1 1 378.392 1.992 20 0 GDADMM CN(C(=O)C1CC1)c1ccccc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821569472 606651706 /nfs/dbraw/zinc/65/17/06/606651706.db2.gz LHBBEBHQTLYYBU-UHFFFAOYSA-N -1 1 378.392 1.992 20 0 GDADMM Cn1cc([C@@]2(C)CN(c3c4ccccc4nnc3-c3nnn[n-]3)CCO2)cn1 ZINC000822674607 606729754 /nfs/dbraw/zinc/72/97/54/606729754.db2.gz XWXBLKYHFZWBHR-GOSISDBHSA-N -1 1 377.412 1.295 20 0 GDADMM Cn1cc([C@@]2(C)CN(c3c4ccccc4nnc3-c3nn[n-]n3)CCO2)cn1 ZINC000822674607 606729756 /nfs/dbraw/zinc/72/97/56/606729756.db2.gz XWXBLKYHFZWBHR-GOSISDBHSA-N -1 1 377.412 1.295 20 0 GDADMM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc(N2CCCC2)c1 ZINC000820446669 606743862 /nfs/dbraw/zinc/74/38/62/606743862.db2.gz WNYFWBZFOBPIDG-ZDUSSCGKSA-N -1 1 399.480 1.901 20 0 GDADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc(N2CCCC2)c1 ZINC000820446669 606743864 /nfs/dbraw/zinc/74/38/64/606743864.db2.gz WNYFWBZFOBPIDG-ZDUSSCGKSA-N -1 1 399.480 1.901 20 0 GDADMM CN1C(=O)CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c2ccccc21 ZINC000821620371 606765588 /nfs/dbraw/zinc/76/55/88/606765588.db2.gz HSNGCEBSTZCNIL-UHFFFAOYSA-N -1 1 388.384 1.178 20 0 GDADMM CC(C)C[C@@H]1CC(=O)N(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)C1 ZINC000820062473 606769125 /nfs/dbraw/zinc/76/91/25/606769125.db2.gz MMHPRYCDNPWJMI-LSDHHAIUSA-N -1 1 399.503 1.019 20 0 GDADMM CC(C)C[C@@H]1CC(=O)N(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)C1 ZINC000820062473 606769126 /nfs/dbraw/zinc/76/91/26/606769126.db2.gz MMHPRYCDNPWJMI-LSDHHAIUSA-N -1 1 399.503 1.019 20 0 GDADMM Cc1oc(NC(=O)[C@H](C)N2CCO[C@H]([C@H]3CCCO3)C2)c(-c2nn[n-]n2)c1C ZINC000822542222 606771345 /nfs/dbraw/zinc/77/13/45/606771345.db2.gz VTRNSMHSPUAJJE-YUTCNCBUSA-N -1 1 390.444 1.283 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1nc2ccccc2n1C ZINC000820804301 606778310 /nfs/dbraw/zinc/77/83/10/606778310.db2.gz PVZBYCZMYVHLFJ-ZDUSSCGKSA-N -1 1 390.455 1.254 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1nc2ccccc2n1C ZINC000820804301 606778311 /nfs/dbraw/zinc/77/83/11/606778311.db2.gz PVZBYCZMYVHLFJ-ZDUSSCGKSA-N -1 1 390.455 1.254 20 0 GDADMM O=S(=O)([N-]c1cc(C2CCOCC2)n[nH]1)c1cccc(-c2nn[nH]n2)c1 ZINC000823583326 606779565 /nfs/dbraw/zinc/77/95/65/606779565.db2.gz NESPRBGTSPGCLN-UHFFFAOYSA-N -1 1 375.414 1.285 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCC1CCCCC1 ZINC000820788711 606788903 /nfs/dbraw/zinc/78/89/03/606788903.db2.gz MTBCXCHMFBLXHQ-AWEZNQCLSA-N -1 1 399.503 1.847 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCC1CCCCC1 ZINC000820788711 606788904 /nfs/dbraw/zinc/78/89/04/606788904.db2.gz MTBCXCHMFBLXHQ-AWEZNQCLSA-N -1 1 399.503 1.847 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CC[C@H](Oc2cccnc2)C1 ZINC000823601125 606795589 /nfs/dbraw/zinc/79/55/89/606795589.db2.gz SBQXXXUOPLOQPI-ZDUSSCGKSA-N -1 1 390.400 1.243 20 0 GDADMM Cc1ccc(OCC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cc1 ZINC000822263768 606820536 /nfs/dbraw/zinc/82/05/36/606820536.db2.gz YOVIINYNBQFBGK-AWEZNQCLSA-N -1 1 394.439 1.081 20 0 GDADMM Cc1ccc(OCC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cc1 ZINC000822263768 606820537 /nfs/dbraw/zinc/82/05/37/606820537.db2.gz YOVIINYNBQFBGK-AWEZNQCLSA-N -1 1 394.439 1.081 20 0 GDADMM COc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cc1 ZINC000821768890 606820823 /nfs/dbraw/zinc/82/08/23/606820823.db2.gz ARCMLSJLMJOBBY-LBPRGKRZSA-N -1 1 380.412 1.016 20 0 GDADMM COc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cc1 ZINC000821768890 606820825 /nfs/dbraw/zinc/82/08/25/606820825.db2.gz ARCMLSJLMJOBBY-LBPRGKRZSA-N -1 1 380.412 1.016 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C=Cc1ccccc1 ZINC000820778050 606821848 /nfs/dbraw/zinc/82/18/48/606821848.db2.gz UUFIUUUCOFKFAQ-NPQIQWPPSA-N -1 1 376.424 1.407 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C=Cc1ccccc1 ZINC000820778050 606821849 /nfs/dbraw/zinc/82/18/49/606821849.db2.gz UUFIUUUCOFKFAQ-NPQIQWPPSA-N -1 1 376.424 1.407 20 0 GDADMM CCc1nc(C)c(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)s1 ZINC000821506365 606822653 /nfs/dbraw/zinc/82/26/53/606822653.db2.gz WVKVAOVLWHCFMK-JTQLQIEISA-N -1 1 399.484 1.335 20 0 GDADMM CCc1nc(C)c(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)s1 ZINC000821506365 606822655 /nfs/dbraw/zinc/82/26/55/606822655.db2.gz WVKVAOVLWHCFMK-JTQLQIEISA-N -1 1 399.484 1.335 20 0 GDADMM COc1ccccc1N1CC[C@@H](OC(=O)c2sccc2-c2nn[n-]n2)C1=O ZINC000821899460 606825392 /nfs/dbraw/zinc/82/53/92/606825392.db2.gz ZDNZUYSODOALTB-CYBMUJFWSA-N -1 1 385.405 1.899 20 0 GDADMM CC(C)CC[C@@H](C)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820072954 606826419 /nfs/dbraw/zinc/82/64/19/606826419.db2.gz OTXFRDYZCOJSHW-ZIAGYGMSSA-N -1 1 387.492 1.702 20 0 GDADMM CC(C)CC[C@@H](C)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820072954 606826421 /nfs/dbraw/zinc/82/64/21/606826421.db2.gz OTXFRDYZCOJSHW-ZIAGYGMSSA-N -1 1 387.492 1.702 20 0 GDADMM Cc1cc(F)ccc1NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000822205808 606833241 /nfs/dbraw/zinc/83/32/41/606833241.db2.gz IWKMYWVMLWHRQD-GFCCVEGCSA-N -1 1 397.418 1.847 20 0 GDADMM Cc1cc(F)ccc1NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000822205808 606833243 /nfs/dbraw/zinc/83/32/43/606833243.db2.gz IWKMYWVMLWHRQD-GFCCVEGCSA-N -1 1 397.418 1.847 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCC(C1CC1)C1CC1 ZINC000820789239 606834385 /nfs/dbraw/zinc/83/43/85/606834385.db2.gz YOGAAIOHRBYYTF-GFCCVEGCSA-N -1 1 397.487 1.313 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCC(C1CC1)C1CC1 ZINC000820789239 606834386 /nfs/dbraw/zinc/83/43/86/606834386.db2.gz YOGAAIOHRBYYTF-GFCCVEGCSA-N -1 1 397.487 1.313 20 0 GDADMM CCO[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1(C)C ZINC000821360390 606844017 /nfs/dbraw/zinc/84/40/17/606844017.db2.gz RARBMDYELFNTOY-UONOGXRCSA-N -1 1 383.449 1.830 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc(N(C)C)cc1 ZINC000820788531 606855102 /nfs/dbraw/zinc/85/51/02/606855102.db2.gz JHKMVOMVNVNYTM-CYBMUJFWSA-N -1 1 393.455 1.074 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc(N(C)C)cc1 ZINC000820788531 606855104 /nfs/dbraw/zinc/85/51/04/606855104.db2.gz JHKMVOMVNVNYTM-CYBMUJFWSA-N -1 1 393.455 1.074 20 0 GDADMM CO[C@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1ccccc1 ZINC000821672302 606855803 /nfs/dbraw/zinc/85/58/03/606855803.db2.gz FWSMLUKCEBKCDJ-CJNGLKHVSA-N -1 1 394.439 1.082 20 0 GDADMM CO[C@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1ccccc1 ZINC000821672302 606855805 /nfs/dbraw/zinc/85/58/05/606855805.db2.gz FWSMLUKCEBKCDJ-CJNGLKHVSA-N -1 1 394.439 1.082 20 0 GDADMM COc1ccc(-c2nn[nH]n2)cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000821766269 606866145 /nfs/dbraw/zinc/86/61/45/606866145.db2.gz TVACCCSYGCFYNF-UHFFFAOYSA-N -1 1 389.393 1.683 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000823601189 606875510 /nfs/dbraw/zinc/87/55/10/606875510.db2.gz VLBZPWARNUCZKX-LLVKDONJSA-N -1 1 390.400 1.243 20 0 GDADMM COC(=O)[C@@H]1CCCCCC[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821655550 606897104 /nfs/dbraw/zinc/89/71/04/606897104.db2.gz NIIQPACLACWNBN-CHWSQXEVSA-N -1 1 394.457 1.052 20 0 GDADMM COC(=O)[C@@H]1CCCCCC[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821655550 606897106 /nfs/dbraw/zinc/89/71/06/606897106.db2.gz NIIQPACLACWNBN-CHWSQXEVSA-N -1 1 394.457 1.052 20 0 GDADMM Cc1oc(NC(=O)COC(=O)[C@@H]2CCCc3n[nH]cc32)c(-c2nn[n-]n2)c1C ZINC000822548954 606902874 /nfs/dbraw/zinc/90/28/74/606902874.db2.gz PRHOBSTYKIDLCR-SNVBAGLBSA-N -1 1 385.384 1.401 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N(C)CCC2CCOCC2)cc1-c1nn[n-]n1 ZINC000821969919 606914486 /nfs/dbraw/zinc/91/44/86/606914486.db2.gz GULJYBJYQKCYGA-UHFFFAOYSA-N -1 1 378.458 1.578 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000823478574 606937259 /nfs/dbraw/zinc/93/72/59/606937259.db2.gz MCVPCFJNQHLHDE-WBVHZDCISA-N -1 1 380.408 1.226 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000823478574 606937261 /nfs/dbraw/zinc/93/72/61/606937261.db2.gz MCVPCFJNQHLHDE-WBVHZDCISA-N -1 1 380.408 1.226 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@H](C)C[C@H]1CCOC1 ZINC000822459150 607134777 /nfs/dbraw/zinc/13/47/77/607134777.db2.gz NPAJIQIFYVWXID-BXUZGUMPSA-N -1 1 398.471 1.390 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@H](C)C[C@H]1CCOC1 ZINC000822459150 607134778 /nfs/dbraw/zinc/13/47/78/607134778.db2.gz NPAJIQIFYVWXID-BXUZGUMPSA-N -1 1 398.471 1.390 20 0 GDADMM CS(=O)(=O)Cc1cc(F)ccc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821926550 607144432 /nfs/dbraw/zinc/14/44/32/607144432.db2.gz IICUHFGRFHOBLY-UHFFFAOYSA-N -1 1 376.373 1.198 20 0 GDADMM CS(=O)(=O)Cc1cc(F)ccc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821926550 607144434 /nfs/dbraw/zinc/14/44/34/607144434.db2.gz IICUHFGRFHOBLY-UHFFFAOYSA-N -1 1 376.373 1.198 20 0 GDADMM Cc1cc(C[C@@H](C)NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)[nH]n1 ZINC000822199696 607167413 /nfs/dbraw/zinc/16/74/13/607167413.db2.gz DUFBCUIJLCTDAF-SNVBAGLBSA-N -1 1 380.412 1.951 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000823126062 607212587 /nfs/dbraw/zinc/21/25/87/607212587.db2.gz GTTRGUQAYJRLNB-KOLCDFICSA-N -1 1 378.318 1.149 20 0 GDADMM C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1nc(-c2ccccc2)cs1 ZINC000820334247 607215122 /nfs/dbraw/zinc/21/51/22/607215122.db2.gz LZTXXKMYPHXGTL-JTQLQIEISA-N -1 1 381.425 1.459 20 0 GDADMM CCOc1cc(Br)ccc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821395226 607224417 /nfs/dbraw/zinc/22/44/17/607224417.db2.gz SSZNKAQLHLBGGA-UHFFFAOYSA-N -1 1 393.205 1.258 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCC1=CCCC1 ZINC000824999149 607793933 /nfs/dbraw/zinc/79/39/33/607793933.db2.gz CULXQUXWDWYOGL-CYBMUJFWSA-N -1 1 383.460 1.377 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCC1=CCCC1 ZINC000824999149 607793934 /nfs/dbraw/zinc/79/39/34/607793934.db2.gz CULXQUXWDWYOGL-CYBMUJFWSA-N -1 1 383.460 1.377 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N(C)CCc2nccs2)cc1-c1nn[n-]n1 ZINC000826229955 607813011 /nfs/dbraw/zinc/81/30/11/607813011.db2.gz XVFVFQLWBVFWBT-UHFFFAOYSA-N -1 1 377.455 1.460 20 0 GDADMM O=S(=O)(CC[N@@H+]1CCC[C@]2(CCCOC2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000826484882 607829431 /nfs/dbraw/zinc/82/94/31/607829431.db2.gz SSECPTRBUPNIKF-SFHVURJKSA-N -1 1 391.497 1.533 20 0 GDADMM CO[C@@H]1CC[C@@H]2OCCN(CC(=O)Nc3oc(C)c(C)c3-c3nn[n-]n3)[C@@H]2C1 ZINC000826146532 607859113 /nfs/dbraw/zinc/85/91/13/607859113.db2.gz XKAFPMJTQAXFQS-MCIONIFRSA-N -1 1 390.444 1.283 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccc2c1CN(c1ccccn1)C2 ZINC000826425595 607957772 /nfs/dbraw/zinc/95/77/72/607957772.db2.gz KPROFLFQXAYWJF-UHFFFAOYSA-N -1 1 388.395 1.012 20 0 GDADMM C[C@@](O)(CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000824670168 607973314 /nfs/dbraw/zinc/97/33/14/607973314.db2.gz LKRVCFVQMVDMEU-MRXNPFEDSA-N -1 1 395.391 1.331 20 0 GDADMM C[C@@](O)(CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000824670168 607973315 /nfs/dbraw/zinc/97/33/15/607973315.db2.gz LKRVCFVQMVDMEU-MRXNPFEDSA-N -1 1 395.391 1.331 20 0 GDADMM CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000824064373 607997911 /nfs/dbraw/zinc/99/79/11/607997911.db2.gz FZBFUFGWKAWKGI-LLVKDONJSA-N -1 1 376.442 1.458 20 0 GDADMM C[C@@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000824045372 607999060 /nfs/dbraw/zinc/99/90/60/607999060.db2.gz LSBOUPJFPCOYCK-ZMLRMANQSA-N -1 1 384.396 1.075 20 0 GDADMM CC[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C[C@H]1O ZINC000825212544 608025436 /nfs/dbraw/zinc/02/54/36/608025436.db2.gz SBPPIAAGYQSNBW-LDYMZIIASA-N -1 1 391.375 1.277 20 0 GDADMM CCOC(=O)CC[C@@H](C)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000825506090 608028059 /nfs/dbraw/zinc/02/80/59/608028059.db2.gz DLRUQYJQJVWODY-SNVBAGLBSA-N -1 1 390.444 1.365 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@@H](C)c1ccc[nH]1 ZINC000826328091 608030736 /nfs/dbraw/zinc/03/07/36/608030736.db2.gz GBUHYJKMHWMLLP-NSHDSACASA-N -1 1 379.428 1.664 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@@H](C)c1ccc[nH]1 ZINC000826328091 608030737 /nfs/dbraw/zinc/03/07/37/608030737.db2.gz GBUHYJKMHWMLLP-NSHDSACASA-N -1 1 379.428 1.664 20 0 GDADMM CCc1ccc(-c2nc(Cn3c(=O)c(-c4nn[n-]n4)cn(C)c3=O)cs2)cc1 ZINC000825700426 608095546 /nfs/dbraw/zinc/09/55/46/608095546.db2.gz FHGMAYRFDGKXCY-UHFFFAOYSA-N -1 1 395.448 1.461 20 0 GDADMM Cc1nn(CC(F)(F)F)c(C)c1CC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826334352 608117812 /nfs/dbraw/zinc/11/78/12/608117812.db2.gz RMZVJYZOQBAXKL-UHFFFAOYSA-N -1 1 395.345 1.923 20 0 GDADMM Cc1nn(CC(F)(F)F)c(C)c1CC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826334352 608117813 /nfs/dbraw/zinc/11/78/13/608117813.db2.gz RMZVJYZOQBAXKL-UHFFFAOYSA-N -1 1 395.345 1.923 20 0 GDADMM COc1ccccc1OC[C@H](C)CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000826220138 608118918 /nfs/dbraw/zinc/11/89/18/608118918.db2.gz DCXJGQHIFJYPFM-LLVKDONJSA-N -1 1 386.416 1.445 20 0 GDADMM COc1ccccc1OC[C@H](C)CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000826220138 608118919 /nfs/dbraw/zinc/11/89/19/608118919.db2.gz DCXJGQHIFJYPFM-LLVKDONJSA-N -1 1 386.416 1.445 20 0 GDADMM Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1-c1nnnn1C1CC1 ZINC000826290861 608139765 /nfs/dbraw/zinc/13/97/65/608139765.db2.gz DDBLWTXMDBTFEK-UHFFFAOYSA-N -1 1 388.395 1.811 20 0 GDADMM Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1-c1nnnn1C1CC1 ZINC000826290861 608139766 /nfs/dbraw/zinc/13/97/66/608139766.db2.gz DDBLWTXMDBTFEK-UHFFFAOYSA-N -1 1 388.395 1.811 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N[C@@H]1CC12CCCCC2 ZINC000825000455 608164538 /nfs/dbraw/zinc/16/45/38/608164538.db2.gz QRGKQRQRRYUTRH-UONOGXRCSA-N -1 1 397.487 1.600 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N[C@@H]1CC12CCCCC2 ZINC000825000455 608164539 /nfs/dbraw/zinc/16/45/39/608164539.db2.gz QRGKQRQRRYUTRH-UONOGXRCSA-N -1 1 397.487 1.600 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC[C@@H]1CCO[C@H](C)C1 ZINC000826328622 608167019 /nfs/dbraw/zinc/16/70/19/608167019.db2.gz XTWICWBHWSEIJM-BXUZGUMPSA-N -1 1 398.471 1.390 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC[C@@H]1CCO[C@H](C)C1 ZINC000826328622 608167020 /nfs/dbraw/zinc/16/70/20/608167020.db2.gz XTWICWBHWSEIJM-BXUZGUMPSA-N -1 1 398.471 1.390 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@@H](CCO)c2ccccc2)cc1-c1nn[n-]n1 ZINC000826229575 608194081 /nfs/dbraw/zinc/19/40/81/608194081.db2.gz JHOPZFJPCXFSJF-ZDUSSCGKSA-N -1 1 386.437 1.543 20 0 GDADMM CC(=Cc1ccc(F)cc1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000823944041 608210726 /nfs/dbraw/zinc/21/07/26/608210726.db2.gz XEPHCRNQWANRPQ-ZHACJKMWSA-N -1 1 384.419 1.806 20 0 GDADMM CC(=Cc1ccc(F)cc1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000823944041 608210728 /nfs/dbraw/zinc/21/07/28/608210728.db2.gz XEPHCRNQWANRPQ-ZHACJKMWSA-N -1 1 384.419 1.806 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1ccc2nncn2c1 ZINC000826232693 608211792 /nfs/dbraw/zinc/21/17/92/608211792.db2.gz DASCKCKXKPOXSP-UHFFFAOYSA-N -1 1 379.384 1.198 20 0 GDADMM Cc1ccc(CCCC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000826287599 608212286 /nfs/dbraw/zinc/21/22/86/608212286.db2.gz VRCBDMRJTVNPOX-UHFFFAOYSA-N -1 1 382.472 1.894 20 0 GDADMM Cc1ccc(CCCC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000826287599 608212287 /nfs/dbraw/zinc/21/22/87/608212287.db2.gz VRCBDMRJTVNPOX-UHFFFAOYSA-N -1 1 382.472 1.894 20 0 GDADMM C[C@H](CCO)N(Cc1ccccc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824407537 608249295 /nfs/dbraw/zinc/24/92/95/608249295.db2.gz XQBHAUZQBVLUEQ-CYBMUJFWSA-N -1 1 388.453 1.224 20 0 GDADMM C[C@H](CCO)N(Cc1ccccc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824407537 608249298 /nfs/dbraw/zinc/24/92/98/608249298.db2.gz XQBHAUZQBVLUEQ-CYBMUJFWSA-N -1 1 388.453 1.224 20 0 GDADMM CCC1(O)CCC(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)CC1 ZINC000825175963 608258369 /nfs/dbraw/zinc/25/83/69/608258369.db2.gz ADUUVDMXLSQTQY-UHFFFAOYSA-N -1 1 388.472 1.717 20 0 GDADMM COC[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)c(F)c1 ZINC000826150927 608308203 /nfs/dbraw/zinc/30/82/03/608308203.db2.gz OVRVJTAQTWWTKE-CQSZACIVSA-N -1 1 396.379 1.206 20 0 GDADMM COC[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)c(F)c1 ZINC000826150927 608308205 /nfs/dbraw/zinc/30/82/05/608308205.db2.gz OVRVJTAQTWWTKE-CQSZACIVSA-N -1 1 396.379 1.206 20 0 GDADMM CCC[C@@H](NC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1)C(=O)OC ZINC000825242310 608333793 /nfs/dbraw/zinc/33/37/93/608333793.db2.gz OALOCIYQUODPNN-LLVKDONJSA-N -1 1 390.469 1.933 20 0 GDADMM Cc1cccn2c(=O)c(C(=O)Nc3nn(C(C)(C)C)cc3-c3nnn[n-]3)cnc12 ZINC000826307932 608343079 /nfs/dbraw/zinc/34/30/79/608343079.db2.gz CAOJHGOOESCUJV-UHFFFAOYSA-N -1 1 393.411 1.387 20 0 GDADMM Cc1cccn2c(=O)c(C(=O)Nc3nn(C(C)(C)C)cc3-c3nn[n-]n3)cnc12 ZINC000826307932 608343081 /nfs/dbraw/zinc/34/30/81/608343081.db2.gz CAOJHGOOESCUJV-UHFFFAOYSA-N -1 1 393.411 1.387 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N(CC(F)F)C2CC2)n1 ZINC000824141054 608352701 /nfs/dbraw/zinc/35/27/01/608352701.db2.gz BSFLUWUTWDPKNC-UHFFFAOYSA-N -1 1 382.375 1.013 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N(CC(F)F)C2CC2)n1 ZINC000824141054 608352703 /nfs/dbraw/zinc/35/27/03/608352703.db2.gz BSFLUWUTWDPKNC-UHFFFAOYSA-N -1 1 382.375 1.013 20 0 GDADMM C[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)C1CCCCC1 ZINC000824471182 608354373 /nfs/dbraw/zinc/35/43/73/608354373.db2.gz PCDYIOHYUUYPNW-LLVKDONJSA-N -1 1 388.476 1.842 20 0 GDADMM C[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)C1CCCCC1 ZINC000824471182 608354375 /nfs/dbraw/zinc/35/43/75/608354375.db2.gz PCDYIOHYUUYPNW-LLVKDONJSA-N -1 1 388.476 1.842 20 0 GDADMM CC[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000825193819 608355112 /nfs/dbraw/zinc/35/51/12/608355112.db2.gz NXWGXFQZVJAGEH-NEPJUHHUSA-N -1 1 388.476 1.842 20 0 GDADMM CC[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000825193819 608355115 /nfs/dbraw/zinc/35/51/15/608355115.db2.gz NXWGXFQZVJAGEH-NEPJUHHUSA-N -1 1 388.476 1.842 20 0 GDADMM NC(=O)COc1cccc(CNc2cc(-c3nnn[n-]3)nc3ccccc32)c1 ZINC000826391281 608380424 /nfs/dbraw/zinc/38/04/24/608380424.db2.gz DRTSDWASAZGOTC-UHFFFAOYSA-N -1 1 375.392 1.891 20 0 GDADMM NC(=O)COc1cccc(CNc2cc(-c3nn[n-]n3)nc3ccccc32)c1 ZINC000826391281 608380427 /nfs/dbraw/zinc/38/04/27/608380427.db2.gz DRTSDWASAZGOTC-UHFFFAOYSA-N -1 1 375.392 1.891 20 0 GDADMM Clc1cnc(N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)c(Cl)c1 ZINC000826354123 608400865 /nfs/dbraw/zinc/40/08/65/608400865.db2.gz QHHXJBMNSKOSFY-UHFFFAOYSA-N -1 1 378.227 1.685 20 0 GDADMM Clc1cnc(N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)c(Cl)c1 ZINC000826354123 608400866 /nfs/dbraw/zinc/40/08/66/608400866.db2.gz QHHXJBMNSKOSFY-UHFFFAOYSA-N -1 1 378.227 1.685 20 0 GDADMM O[C@H](CNc1ccc(-c2nnn[n-]2)nn1)COc1cccc(C(F)(F)F)c1 ZINC000826502925 608405919 /nfs/dbraw/zinc/40/59/19/608405919.db2.gz MPRZGUYFLRIYEA-SNVBAGLBSA-N -1 1 381.318 1.527 20 0 GDADMM O[C@H](CNc1ccc(-c2nn[n-]n2)nn1)COc1cccc(C(F)(F)F)c1 ZINC000826502925 608405921 /nfs/dbraw/zinc/40/59/21/608405921.db2.gz MPRZGUYFLRIYEA-SNVBAGLBSA-N -1 1 381.318 1.527 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1nc2ccccc2s1 ZINC000825929191 608408081 /nfs/dbraw/zinc/40/80/81/608408081.db2.gz CFHONWZKLQDRCH-UHFFFAOYSA-N -1 1 398.456 1.878 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1nc2ccccc2s1 ZINC000825929191 608408083 /nfs/dbraw/zinc/40/80/83/608408083.db2.gz CFHONWZKLQDRCH-UHFFFAOYSA-N -1 1 398.456 1.878 20 0 GDADMM Cc1cccc(S(=O)(=O)Oc2cccc3c2NC(=O)CO3)c1-c1nn[n-]n1 ZINC000826304464 608425190 /nfs/dbraw/zinc/42/51/90/608425190.db2.gz LTNWLDWBDXSIJB-UHFFFAOYSA-N -1 1 387.377 1.274 20 0 GDADMM O=S(=O)(NCCc1cnccn1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826491338 608425729 /nfs/dbraw/zinc/42/57/29/608425729.db2.gz DUSDEYBIZRBYLL-UHFFFAOYSA-N -1 1 399.358 1.197 20 0 GDADMM Cc1cc(Oc2ncccc2-c2nn[n-]n2)ccc1NC(=O)C1(NC(N)=O)CC1 ZINC000826272143 608428450 /nfs/dbraw/zinc/42/84/50/608428450.db2.gz WEJJUSCESQAUFZ-UHFFFAOYSA-N -1 1 394.395 1.502 20 0 GDADMM O=C1CCCN1CC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)c2ccccc21 ZINC000826480823 608430907 /nfs/dbraw/zinc/43/09/07/608430907.db2.gz SKBAUPBBOVBJSJ-ZDUSSCGKSA-N -1 1 376.424 1.905 20 0 GDADMM O=C1CCCN1CC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)c2ccccc21 ZINC000826480823 608430909 /nfs/dbraw/zinc/43/09/09/608430909.db2.gz SKBAUPBBOVBJSJ-ZDUSSCGKSA-N -1 1 376.424 1.905 20 0 GDADMM CN1C(=O)C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000826010254 608437640 /nfs/dbraw/zinc/43/76/40/608437640.db2.gz GBDMZQYDYIJSLR-DOMZBBRYSA-N -1 1 388.794 1.833 20 0 GDADMM CN1C(=O)C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000826010254 608437641 /nfs/dbraw/zinc/43/76/41/608437641.db2.gz GBDMZQYDYIJSLR-DOMZBBRYSA-N -1 1 388.794 1.833 20 0 GDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000826280481 608542099 /nfs/dbraw/zinc/54/20/99/608542099.db2.gz CYMGTIRQIBBZHZ-UHFFFAOYSA-N -1 1 384.488 1.095 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccc2c(n1)CCCC2 ZINC000825935255 608558557 /nfs/dbraw/zinc/55/85/57/608558557.db2.gz XQICCHWCOFKSJB-UHFFFAOYSA-N -1 1 381.444 1.151 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccc2c(n1)CCCC2 ZINC000825935255 608558559 /nfs/dbraw/zinc/55/85/59/608558559.db2.gz XQICCHWCOFKSJB-UHFFFAOYSA-N -1 1 381.444 1.151 20 0 GDADMM CN(C[C@@H](O)C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825902686 608568761 /nfs/dbraw/zinc/56/87/61/608568761.db2.gz YBYKGDCMYLOUPS-SECBINFHSA-N -1 1 385.755 1.064 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)NCC2(C)OCCO2)c1-c1nn[n-]n1 ZINC000826231640 608625603 /nfs/dbraw/zinc/62/56/03/608625603.db2.gz TZZHTSGNTTZNMT-UHFFFAOYSA-N -1 1 376.442 1.354 20 0 GDADMM C[C@@H]1CCC[C@H](NC(=O)CN2CCN(Cc3ccc(-c4nnn[n-]4)o3)CC2)C1 ZINC000824928228 608677174 /nfs/dbraw/zinc/67/71/74/608677174.db2.gz SKHDKSSVQRZXNX-CABCVRRESA-N -1 1 387.488 1.272 20 0 GDADMM C[C@@H]1CCC[C@H](NC(=O)CN2CCN(Cc3ccc(-c4nn[n-]n4)o3)CC2)C1 ZINC000824928228 608677178 /nfs/dbraw/zinc/67/71/78/608677178.db2.gz SKHDKSSVQRZXNX-CABCVRRESA-N -1 1 387.488 1.272 20 0 GDADMM O=C1[C@H](N2CCN(Cc3ccc(-c4nnn[n-]4)o3)CC2)CCN1c1ccccc1 ZINC000826476221 608700291 /nfs/dbraw/zinc/70/02/91/608700291.db2.gz CWHKSZQLDWCYBB-QGZVFWFLSA-N -1 1 393.451 1.383 20 0 GDADMM O=C1[C@H](N2CCN(Cc3ccc(-c4nn[n-]n4)o3)CC2)CCN1c1ccccc1 ZINC000826476221 608700295 /nfs/dbraw/zinc/70/02/95/608700295.db2.gz CWHKSZQLDWCYBB-QGZVFWFLSA-N -1 1 393.451 1.383 20 0 GDADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(=O)OC)c(F)c1 ZINC000530538329 649978292 /nfs/dbraw/zinc/97/82/92/649978292.db2.gz AKEMKAYKGRXHSX-SECBINFHSA-N -1 1 387.307 1.385 20 0 GDADMM CC(C)C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)Nc1nccs1 ZINC000824236058 608827463 /nfs/dbraw/zinc/82/74/63/608827463.db2.gz MFIXLFWSQCBIFW-GFCCVEGCSA-N -1 1 386.441 1.501 20 0 GDADMM CC(C)C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)Nc1nccs1 ZINC000824236058 608827465 /nfs/dbraw/zinc/82/74/65/608827465.db2.gz MFIXLFWSQCBIFW-GFCCVEGCSA-N -1 1 386.441 1.501 20 0 GDADMM COc1cc(C)ccc1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826178234 609155192 /nfs/dbraw/zinc/15/51/92/609155192.db2.gz PCDCDAZSVUHJBZ-UHFFFAOYSA-N -1 1 385.432 1.586 20 0 GDADMM COc1cc(C)ccc1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826178234 609155193 /nfs/dbraw/zinc/15/51/93/609155193.db2.gz PCDCDAZSVUHJBZ-UHFFFAOYSA-N -1 1 385.432 1.586 20 0 GDADMM Cc1cc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)nn1-c1cc(C)cc(C)c1 ZINC000826263625 609264723 /nfs/dbraw/zinc/26/47/23/609264723.db2.gz KQBVTOJREHKUDV-UHFFFAOYSA-N -1 1 378.400 1.208 20 0 GDADMM CCn1nc(C)cc1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825807250 609292610 /nfs/dbraw/zinc/29/26/10/609292610.db2.gz PCNLIXOSKKNKGY-UHFFFAOYSA-N -1 1 381.375 1.969 20 0 GDADMM C[C@@H]1CC(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C[C@@H](C)C1 ZINC000824874317 609302205 /nfs/dbraw/zinc/30/22/05/609302205.db2.gz BXJZTKDRLCPDBP-QWRGUYRKSA-N -1 1 375.481 1.571 20 0 GDADMM C[C@@H]1CC(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C[C@@H](C)C1 ZINC000824874317 609302208 /nfs/dbraw/zinc/30/22/08/609302208.db2.gz BXJZTKDRLCPDBP-QWRGUYRKSA-N -1 1 375.481 1.571 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@@H]1C[C@]1(C)c1ccccc1 ZINC000825930771 609304598 /nfs/dbraw/zinc/30/45/98/609304598.db2.gz YRXCHMLFWQIEHM-AUUYWEPGSA-N -1 1 395.471 1.476 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@@H]1C[C@]1(C)c1ccccc1 ZINC000825930771 609304600 /nfs/dbraw/zinc/30/46/00/609304600.db2.gz YRXCHMLFWQIEHM-AUUYWEPGSA-N -1 1 395.471 1.476 20 0 GDADMM Cc1ccncc1[C@H](C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826314760 609310743 /nfs/dbraw/zinc/31/07/43/609310743.db2.gz LSSBFUFDLFTQPI-NSHDSACASA-N -1 1 384.448 1.211 20 0 GDADMM Cc1ccncc1[C@H](C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826314760 609310744 /nfs/dbraw/zinc/31/07/44/609310744.db2.gz LSSBFUFDLFTQPI-NSHDSACASA-N -1 1 384.448 1.211 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C1(O)CCSCC1 ZINC000826458283 609313534 /nfs/dbraw/zinc/31/35/34/609313534.db2.gz KJEOEOGVXJSNNL-UHFFFAOYSA-N -1 1 389.416 1.388 20 0 GDADMM CN(C[C@@H]1CCCC[C@@H]1O)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825908695 609333390 /nfs/dbraw/zinc/33/33/90/609333390.db2.gz LAWSWJGSUZYPAF-GWCFXTLKSA-N -1 1 385.877 1.692 20 0 GDADMM C[C@@H](NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC000824506720 609355831 /nfs/dbraw/zinc/35/58/31/609355831.db2.gz PYNARRCAMIOSOZ-SNVBAGLBSA-N -1 1 396.390 1.808 20 0 GDADMM CC(C)C[C@@H](CO)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824236469 609357919 /nfs/dbraw/zinc/35/79/19/609357919.db2.gz OAVXOTJZJMPUDQ-NSHDSACASA-N -1 1 388.407 1.720 20 0 GDADMM C[C@@]1(O)CCCN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1 ZINC000824838052 609360957 /nfs/dbraw/zinc/36/09/57/609360957.db2.gz LYUNYIPQUOMINU-QGZVFWFLSA-N -1 1 386.391 1.570 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N[C@@H](CO)CC1CC1 ZINC000826458490 609362731 /nfs/dbraw/zinc/36/27/31/609362731.db2.gz RQHGDJYNYIVVFY-LLVKDONJSA-N -1 1 386.391 1.474 20 0 GDADMM CN(C[C@@H]1CCCO1)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825909465 609363124 /nfs/dbraw/zinc/36/31/24/609363124.db2.gz 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CC(C)Oc1cc(C(=O)N2CCOC[C@H]2c2nn[n-]n2)ccc1Br ZINC000913497854 660083609 /nfs/dbraw/zinc/08/36/09/660083609.db2.gz DYXOEIJBNVQKOP-LBPRGKRZSA-N -1 1 396.245 1.963 20 0 GDADMM O=C([C@@H]1CCc2cc(Br)ccc21)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913498505 660083926 /nfs/dbraw/zinc/08/39/26/660083926.db2.gz HYZGFZRICFVVEV-OLZOCXBDSA-N -1 1 378.230 1.592 20 0 GDADMM O=C(N1CCOC[C@@H]1c1nn[n-]n1)C(F)(F)c1ccccc1Br ZINC000913498978 660083994 /nfs/dbraw/zinc/08/39/94/660083994.db2.gz SSAOAUSJAYFPFF-SNVBAGLBSA-N -1 1 388.172 1.654 20 0 GDADMM O=C([C@@H]1CCc2cc(Br)ccc21)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913498504 660084009 /nfs/dbraw/zinc/08/40/09/660084009.db2.gz HYZGFZRICFVVEV-CHWSQXEVSA-N -1 1 378.230 1.592 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CCCNC2=O)c1F ZINC000914018173 660110401 /nfs/dbraw/zinc/11/04/01/660110401.db2.gz ALJJMCCEEPDMDG-MRVPVSSYSA-N -1 1 381.223 1.154 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-]CC(=O)OCC2CC2)c1F ZINC000914043369 660112326 /nfs/dbraw/zinc/11/23/26/660112326.db2.gz AAQTUEAJURNPDD-UHFFFAOYSA-N -1 1 396.234 1.828 20 0 GDADMM COc1nn2cc(Br)cnc2c1S(=O)(=O)[N-][C@H]1CCC[C@H]1C ZINC000914069081 660113909 /nfs/dbraw/zinc/11/39/09/660113909.db2.gz STTJBIMARPQIDI-SCZZXKLOSA-N -1 1 389.275 1.967 20 0 GDADMM COc1nn2cc(Br)cnc2c1S(=O)(=O)[N-]C1(C2CC2)CC1 ZINC000914252592 660131927 /nfs/dbraw/zinc/13/19/27/660131927.db2.gz GRDVAAVFEGRWIA-UHFFFAOYSA-N -1 1 387.259 1.721 20 0 GDADMM CS(=O)(=O)c1cc(S(=O)(=O)[N-]c2cccc(OCC#N)c2)ccc1F ZINC000146014049 677676718 /nfs/dbraw/zinc/67/67/18/677676718.db2.gz PWMCJZILQYLOAU-UHFFFAOYSA-N -1 1 384.410 1.932 20 0 GDADMM CN1CCN(c2cccc(C(=O)N[C@@H](C(=O)[O-])c3ccc4c(c3)CCO4)n2)CC1 ZINC000909793714 939731542 /nfs/dbraw/zinc/73/15/42/939731542.db2.gz MXKOXCJEDOLCEH-LJQANCHMSA-N -1 1 396.447 1.324 20 0 GDADMM O=C([O-])[C@H](Cc1ccccc1)NCc1nc2ncc(Br)cn2n1 ZINC001601659346 971038264 /nfs/dbraw/zinc/03/82/64/971038264.db2.gz HBFROEWNJPZFPZ-LBPRGKRZSA-N -1 1 376.214 1.672 20 0 GDADMM COc1cc(Br)c(OC)c(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c1 ZINC000323953426 971066136 /nfs/dbraw/zinc/06/61/36/971066136.db2.gz OYSZZCIKHNXTTE-LBPRGKRZSA-N -1 1 398.213 1.615 20 0 GDADMM CCOc1ccccc1NC(=O)Cn1nc(CC)c(CC)c(-c2nn[n-]n2)c1=O ZINC000736654852 944863760 /nfs/dbraw/zinc/86/37/60/944863760.db2.gz KQASZWPYNVZIRC-UHFFFAOYSA-N -1 1 397.439 1.586 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)Nc2cnn(CC(F)F)c2)cc1-c1nn[n-]n1 ZINC000737187305 944978268 /nfs/dbraw/zinc/97/82/68/944978268.db2.gz PVJWRLLLEQYZRX-UHFFFAOYSA-N -1 1 382.356 1.403 20 0 GDADMM CCc1oncc1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(-c2nn[n-]n2)s1 ZINC001571261503 945427228 /nfs/dbraw/zinc/42/72/28/945427228.db2.gz GMQYYIWVCQLESH-QWRGUYRKSA-N -1 1 385.453 1.578 20 0 GDADMM CCc1nc(NC2CC(CNC(=O)c3ccsn3)C2)cc(-c2nnn[n-]2)n1 ZINC001571262797 945442289 /nfs/dbraw/zinc/44/22/89/945442289.db2.gz YKAGLNKCXXKHJZ-UHFFFAOYSA-N -1 1 385.457 1.296 20 0 GDADMM CCc1nc(NC2CC(CNC(=O)c3ccsn3)C2)cc(-c2nn[n-]n2)n1 ZINC001571262797 945442310 /nfs/dbraw/zinc/44/23/10/945442310.db2.gz YKAGLNKCXXKHJZ-UHFFFAOYSA-N -1 1 385.457 1.296 20 0 GDADMM C[C@@]1(CNc2ccc(-c3nnn[n-]3)nn2)CCN(C(=O)Cc2cscn2)C1 ZINC001571262816 945443494 /nfs/dbraw/zinc/44/34/94/945443494.db2.gz YXYRSKMQOHAVHA-INIZCTEOSA-N -1 1 385.457 1.006 20 0 GDADMM C[C@@]1(CNc2ccc(-c3nn[n-]n3)nn2)CCN(C(=O)Cc2cscn2)C1 ZINC001571262816 945443498 /nfs/dbraw/zinc/44/34/98/945443498.db2.gz YXYRSKMQOHAVHA-INIZCTEOSA-N -1 1 385.457 1.006 20 0 GDADMM Cc1ncsc1C(=O)N[C@H]1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571262980 945447423 /nfs/dbraw/zinc/44/74/23/945447423.db2.gz DTKBOTUWYCNTNQ-MNOVXSKESA-N -1 1 385.457 1.575 20 0 GDADMM Cc1ncsc1C(=O)N[C@H]1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571262980 945447429 /nfs/dbraw/zinc/44/74/29/945447429.db2.gz DTKBOTUWYCNTNQ-MNOVXSKESA-N -1 1 385.457 1.575 20 0 GDADMM Cc1nc(C)c(C(=O)N[C@@]2(C)CCN(c3cncc(-c4nnn[n-]4)n3)C2)s1 ZINC001571263058 945450223 /nfs/dbraw/zinc/45/02/23/945450223.db2.gz GSPSWOXYNLBQQY-INIZCTEOSA-N -1 1 385.457 1.129 20 0 GDADMM Cc1nc(C)c(C(=O)N[C@@]2(C)CCN(c3cncc(-c4nn[n-]n4)n3)C2)s1 ZINC001571263058 945450230 /nfs/dbraw/zinc/45/02/30/945450230.db2.gz GSPSWOXYNLBQQY-INIZCTEOSA-N -1 1 385.457 1.129 20 0 GDADMM Cc1nscc1C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001571263409 945457705 /nfs/dbraw/zinc/45/77/05/945457705.db2.gz PDVAUFGSTFEYAD-JOYOIKCWSA-N -1 1 385.457 1.384 20 0 GDADMM Cc1nscc1C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001571263409 945457711 /nfs/dbraw/zinc/45/77/11/945457711.db2.gz PDVAUFGSTFEYAD-JOYOIKCWSA-N -1 1 385.457 1.384 20 0 GDADMM Cc1nscc1C(=O)N1CCC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571263522 945460993 /nfs/dbraw/zinc/46/09/93/945460993.db2.gz SHRHVGNYXNSDMJ-LLVKDONJSA-N -1 1 385.457 1.163 20 0 GDADMM Cc1nscc1C(=O)N1CCC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571263522 945461000 /nfs/dbraw/zinc/46/10/00/945461000.db2.gz SHRHVGNYXNSDMJ-LLVKDONJSA-N -1 1 385.457 1.163 20 0 GDADMM Cc1nsc(N2CCC[C@H](NC(=O)c3nccc(C)n3)C2)c1-c1nn[n-]n1 ZINC001571263601 945462802 /nfs/dbraw/zinc/46/28/02/945462802.db2.gz UVXFUJWOOCFBSD-NSHDSACASA-N -1 1 385.457 1.129 20 0 GDADMM CO[C@@H](C)C(=O)N1C[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C(C)(C)C1 ZINC001571265483 945512307 /nfs/dbraw/zinc/51/23/07/945512307.db2.gz KWIWWKAETQSCEY-YUMQZZPRSA-N -1 1 385.881 1.660 20 0 GDADMM O=C(c1cccc(F)c1F)N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571266874 945555200 /nfs/dbraw/zinc/55/52/00/945555200.db2.gz AWGVBJOYBGFOQJ-UHFFFAOYSA-N -1 1 386.366 1.652 20 0 GDADMM O=C(c1cccc(F)c1F)N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571266874 945555208 /nfs/dbraw/zinc/55/52/08/945555208.db2.gz AWGVBJOYBGFOQJ-UHFFFAOYSA-N -1 1 386.366 1.652 20 0 GDADMM O=C(NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ccc(F)cc1F ZINC001571266980 945558201 /nfs/dbraw/zinc/55/82/01/945558201.db2.gz FEZHTMZIOOBHER-HOMQSWHASA-N -1 1 386.366 1.555 20 0 GDADMM O=C(NC[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ccc(F)cc1F ZINC001571266980 945558210 /nfs/dbraw/zinc/55/82/10/945558210.db2.gz FEZHTMZIOOBHER-HOMQSWHASA-N -1 1 386.366 1.555 20 0 GDADMM O=C(c1ccc(C(F)F)cc1)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571267245 945565719 /nfs/dbraw/zinc/56/57/19/945565719.db2.gz NTEUYYLITDHPDZ-LBPRGKRZSA-N -1 1 386.366 1.921 20 0 GDADMM O=C(c1ccc(C(F)F)cc1)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571267245 945565724 /nfs/dbraw/zinc/56/57/24/945565724.db2.gz NTEUYYLITDHPDZ-LBPRGKRZSA-N -1 1 386.366 1.921 20 0 GDADMM O=C(COc1ccsc1)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571270370 945634633 /nfs/dbraw/zinc/63/46/33/945634633.db2.gz RRVFESAEJGYJLQ-LLVKDONJSA-N -1 1 386.441 1.200 20 0 GDADMM O=C(COc1ccsc1)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571270370 945634638 /nfs/dbraw/zinc/63/46/38/945634638.db2.gz RRVFESAEJGYJLQ-LLVKDONJSA-N -1 1 386.441 1.200 20 0 GDADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CN(C(=O)c2cccs2)CCO1 ZINC001571270454 945636341 /nfs/dbraw/zinc/63/63/41/945636341.db2.gz UAECBFDMOQVXEW-JQWIXIFHSA-N -1 1 386.441 1.060 20 0 GDADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CN(C(=O)c2cccs2)CCO1 ZINC001571270454 945636349 /nfs/dbraw/zinc/63/63/49/945636349.db2.gz UAECBFDMOQVXEW-JQWIXIFHSA-N -1 1 386.441 1.060 20 0 GDADMM COc1csc(C(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C[C@H]2C)c1 ZINC001571270572 945639317 /nfs/dbraw/zinc/63/93/17/945639317.db2.gz VLAKHACIMTVXSL-NXEZZACHSA-N -1 1 386.441 1.442 20 0 GDADMM COc1csc(C(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C[C@H]2C)c1 ZINC001571270572 945639324 /nfs/dbraw/zinc/63/93/24/945639324.db2.gz VLAKHACIMTVXSL-NXEZZACHSA-N -1 1 386.441 1.442 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CN(C(=O)C3(C)CCOCC3)C[C@H]2C)n1 ZINC001571272180 945655517 /nfs/dbraw/zinc/65/55/17/945655517.db2.gz AEVFTQFSYAGNMW-BXUZGUMPSA-N -1 1 386.460 1.041 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CN(C(=O)C3(C)CCOCC3)C[C@H]2C)n1 ZINC001571272180 945655526 /nfs/dbraw/zinc/65/55/26/945655526.db2.gz AEVFTQFSYAGNMW-BXUZGUMPSA-N -1 1 386.460 1.041 20 0 GDADMM O=C(C[C@H]1CCCOC1)N1CCCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571272195 945655544 /nfs/dbraw/zinc/65/55/44/945655544.db2.gz AUYBZARPWJMRDA-ZIAGYGMSSA-N -1 1 386.460 1.266 20 0 GDADMM O=C(C[C@H]1CCCOC1)N1CCCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571272195 945655559 /nfs/dbraw/zinc/65/55/59/945655559.db2.gz AUYBZARPWJMRDA-ZIAGYGMSSA-N -1 1 386.460 1.266 20 0 GDADMM O=C(CC[C@@H]1CCOC1)N1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571272392 945661726 /nfs/dbraw/zinc/66/17/26/945661726.db2.gz CRLPWZHFLMUYBF-ZIAGYGMSSA-N -1 1 386.460 1.266 20 0 GDADMM O=C(CC[C@@H]1CCOC1)N1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571272392 945661732 /nfs/dbraw/zinc/66/17/32/945661732.db2.gz CRLPWZHFLMUYBF-ZIAGYGMSSA-N -1 1 386.460 1.266 20 0 GDADMM O=C(C[C@H]1CCCCO1)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571272974 945675527 /nfs/dbraw/zinc/67/55/27/945675527.db2.gz MBCMNSRPNKYQMO-UONOGXRCSA-N -1 1 386.460 1.091 20 0 GDADMM O=C(C[C@H]1CCCCO1)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571272974 945675536 /nfs/dbraw/zinc/67/55/36/945675536.db2.gz MBCMNSRPNKYQMO-UONOGXRCSA-N -1 1 386.460 1.091 20 0 GDADMM O=C(C[C@@H]1CCCCO1)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571272973 945675962 /nfs/dbraw/zinc/67/59/62/945675962.db2.gz MBCMNSRPNKYQMO-KGLIPLIRSA-N -1 1 386.460 1.091 20 0 GDADMM O=C(C[C@@H]1CCCCO1)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571272973 945675964 /nfs/dbraw/zinc/67/59/64/945675964.db2.gz MBCMNSRPNKYQMO-KGLIPLIRSA-N -1 1 386.460 1.091 20 0 GDADMM O=C(CC[C@H]1CCCCO1)N1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571273372 945685304 /nfs/dbraw/zinc/68/53/04/945685304.db2.gz WLMBVMIGWRLMBZ-UONOGXRCSA-N -1 1 386.460 1.266 20 0 GDADMM O=C(CC[C@H]1CCCCO1)N1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571273372 945685309 /nfs/dbraw/zinc/68/53/09/945685309.db2.gz WLMBVMIGWRLMBZ-UONOGXRCSA-N -1 1 386.460 1.266 20 0 GDADMM O=C(NC[C@@H](n1cccn1)C(F)(F)F)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001571275512 945706644 /nfs/dbraw/zinc/70/66/44/945706644.db2.gz VIOZRGRXYYBNCF-SNVBAGLBSA-N -1 1 387.272 1.875 20 0 GDADMM O=C(NC[C@@H](n1cccn1)C(F)(F)F)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001571275512 945706649 /nfs/dbraw/zinc/70/66/49/945706649.db2.gz VIOZRGRXYYBNCF-SNVBAGLBSA-N -1 1 387.272 1.875 20 0 GDADMM C[C@H](Nc1nccnc1-c1nnn[n-]1)[C@H]1CN(C(=O)CC2CCCC2)CCO1 ZINC001571275653 945711415 /nfs/dbraw/zinc/71/14/15/945711415.db2.gz ACZILAIHTDNPBF-GXTWGEPZSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)[C@H]1CN(C(=O)CC2CCCC2)CCO1 ZINC001571275653 945711419 /nfs/dbraw/zinc/71/14/19/945711419.db2.gz ACZILAIHTDNPBF-GXTWGEPZSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCC1CCOCC1 ZINC001571275738 945714733 /nfs/dbraw/zinc/71/47/33/945714733.db2.gz BQQFBIIHZOPCFX-GXTWGEPZSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCC1CCOCC1 ZINC001571275738 945714739 /nfs/dbraw/zinc/71/47/39/945714739.db2.gz BQQFBIIHZOPCFX-GXTWGEPZSA-N -1 1 386.460 1.265 20 0 GDADMM CC1(C(=O)N[C@@H]2CCC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CCOCC1 ZINC001571276091 945723110 /nfs/dbraw/zinc/72/31/10/945723110.db2.gz HBWMXXZOMOLFRE-CHWSQXEVSA-N -1 1 386.460 1.313 20 0 GDADMM CC1(C(=O)N[C@@H]2CCC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CCOCC1 ZINC001571276091 945723120 /nfs/dbraw/zinc/72/31/20/945723120.db2.gz HBWMXXZOMOLFRE-CHWSQXEVSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](C(=O)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C1CCCC1 ZINC001571276127 945725621 /nfs/dbraw/zinc/72/56/21/945725621.db2.gz HUHPFVRFRCJFMH-GXTWGEPZSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H](C(=O)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C1CCCC1 ZINC001571276127 945725627 /nfs/dbraw/zinc/72/56/27/945725627.db2.gz HUHPFVRFRCJFMH-GXTWGEPZSA-N -1 1 386.460 1.122 20 0 GDADMM CCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCN(C(=O)[C@H]2CCO[C@@H]2C)CC1 ZINC001571276575 945733028 /nfs/dbraw/zinc/73/30/28/945733028.db2.gz ITTHRSOOHXZTBT-OLZOCXBDSA-N -1 1 386.460 1.265 20 0 GDADMM CCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCN(C(=O)[C@H]2CCO[C@@H]2C)CC1 ZINC001571276575 945733035 /nfs/dbraw/zinc/73/30/35/945733035.db2.gz ITTHRSOOHXZTBT-OLZOCXBDSA-N -1 1 386.460 1.265 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccc(-n2cccc2)cc1 ZINC000821600561 945737687 /nfs/dbraw/zinc/73/76/87/945737687.db2.gz SDBCCZATEULYQC-UHFFFAOYSA-N -1 1 391.439 1.668 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccc(-n2cccc2)cc1 ZINC000821600561 945737691 /nfs/dbraw/zinc/73/76/91/945737691.db2.gz SDBCCZATEULYQC-UHFFFAOYSA-N -1 1 391.439 1.668 20 0 GDADMM CN(Cc1ccn(-c2ccccc2)n1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821615750 945747603 /nfs/dbraw/zinc/74/76/03/945747603.db2.gz LSDQBFXRBCQZGV-UHFFFAOYSA-N -1 1 378.400 1.450 20 0 GDADMM CN(Cc1ccn(-c2ccccc2)n1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821615750 945747609 /nfs/dbraw/zinc/74/76/09/945747609.db2.gz LSDQBFXRBCQZGV-UHFFFAOYSA-N -1 1 378.400 1.450 20 0 GDADMM Cc1oc(-c2nnn[n-]2)cc1C(=O)N1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC001571279922 945791135 /nfs/dbraw/zinc/79/11/35/945791135.db2.gz ZNEHXVYCDGGIBO-VIFPVBQESA-N -1 1 387.425 1.211 20 0 GDADMM Cc1oc(-c2nn[n-]n2)cc1C(=O)N1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC001571279922 945791141 /nfs/dbraw/zinc/79/11/41/945791141.db2.gz ZNEHXVYCDGGIBO-VIFPVBQESA-N -1 1 387.425 1.211 20 0 GDADMM COC(=O)c1cccn2cc(COC(=O)c3ccc(-c4nnn[n-]4)s3)nc12 ZINC000821670346 945791622 /nfs/dbraw/zinc/79/16/22/945791622.db2.gz ZIPHPKWDVZUNNQ-UHFFFAOYSA-N -1 1 384.377 1.720 20 0 GDADMM COC(=O)c1cccn2cc(COC(=O)c3ccc(-c4nn[n-]n4)s3)nc12 ZINC000821670346 945791632 /nfs/dbraw/zinc/79/16/32/945791632.db2.gz ZIPHPKWDVZUNNQ-UHFFFAOYSA-N -1 1 384.377 1.720 20 0 GDADMM Cc1cc(C(=O)NC[C@H]2C[C@H](Nc3snc(C)c3-c3nn[n-]n3)C2)n(C)n1 ZINC001571282071 945827089 /nfs/dbraw/zinc/82/70/89/945827089.db2.gz SMEGFPNGEMAMDF-XYPYZODXSA-N -1 1 387.473 1.294 20 0 GDADMM CC(=O)N1CCOC2(CCN(c3snc(Cl)c3-c3nnn[n-]3)CC2)C1 ZINC001573451019 945832582 /nfs/dbraw/zinc/83/25/82/945832582.db2.gz PGLUVHJFIUYKLE-UHFFFAOYSA-N -1 1 383.865 1.194 20 0 GDADMM CC(=O)N1CCOC2(CCN(c3snc(Cl)c3-c3nn[n-]n3)CC2)C1 ZINC001573451019 945832589 /nfs/dbraw/zinc/83/25/89/945832589.db2.gz PGLUVHJFIUYKLE-UHFFFAOYSA-N -1 1 383.865 1.194 20 0 GDADMM Cc1c[nH]cc1C(=O)NC[C@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001571282446 945846429 /nfs/dbraw/zinc/84/64/29/945846429.db2.gz YTIUIYVPWGJDCP-LBPRGKRZSA-N -1 1 387.469 1.196 20 0 GDADMM C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001571286282 945941418 /nfs/dbraw/zinc/94/14/18/945941418.db2.gz DDHCVDHMRVSRLK-QWRGUYRKSA-N -1 1 388.432 1.781 20 0 GDADMM C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001571286282 945941423 /nfs/dbraw/zinc/94/14/23/945941423.db2.gz DDHCVDHMRVSRLK-QWRGUYRKSA-N -1 1 388.432 1.781 20 0 GDADMM CC1(NC(=O)c2sccc2F)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571286310 945943273 /nfs/dbraw/zinc/94/32/73/945943273.db2.gz DJOIDKLGUKGOJX-UHFFFAOYSA-N -1 1 388.432 1.646 20 0 GDADMM CC1(NC(=O)c2sccc2F)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571286310 945943275 /nfs/dbraw/zinc/94/32/75/945943275.db2.gz DJOIDKLGUKGOJX-UHFFFAOYSA-N -1 1 388.432 1.646 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)c1sccc1F ZINC001571286750 945957920 /nfs/dbraw/zinc/95/79/20/945957920.db2.gz QRGMLAVJORNKOI-UWVGGRQHSA-N -1 1 388.432 1.868 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)c1sccc1F ZINC001571286750 945957926 /nfs/dbraw/zinc/95/79/26/945957926.db2.gz QRGMLAVJORNKOI-UWVGGRQHSA-N -1 1 388.432 1.868 20 0 GDADMM Cc1cc(Oc2ncccc2-c2nn[n-]n2)ccc1NC(=O)C(=O)NCCCF ZINC000822211509 945996533 /nfs/dbraw/zinc/99/65/33/945996533.db2.gz BTBPKZZAEZNKDU-UHFFFAOYSA-N -1 1 399.386 1.777 20 0 GDADMM CN(CC1CCN(C(=O)C2(CF)CCC2)CC1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571289412 946003079 /nfs/dbraw/zinc/00/30/79/946003079.db2.gz CIUFHPDLYDEQDG-UHFFFAOYSA-N -1 1 388.451 1.471 20 0 GDADMM CN(CC1CCN(C(=O)C2(CF)CCC2)CC1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571289412 946003093 /nfs/dbraw/zinc/00/30/93/946003093.db2.gz CIUFHPDLYDEQDG-UHFFFAOYSA-N -1 1 388.451 1.471 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)C2CCN(C(=O)CC(C)(C)O)CC2)n1 ZINC001571290199 946031824 /nfs/dbraw/zinc/03/18/24/946031824.db2.gz XMUZBHGLFZMLFV-LBPRGKRZSA-N -1 1 388.476 1.165 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)C2CCN(C(=O)CC(C)(C)O)CC2)n1 ZINC001571290199 946031838 /nfs/dbraw/zinc/03/18/38/946031838.db2.gz XMUZBHGLFZMLFV-LBPRGKRZSA-N -1 1 388.476 1.165 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(NC(=O)c3occc3Cl)CC2)n1 ZINC001571290993 946063219 /nfs/dbraw/zinc/06/32/19/946063219.db2.gz XAOKYZURHPJRAV-UHFFFAOYSA-N -1 1 388.819 1.610 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(NC(=O)c3occc3Cl)CC2)n1 ZINC001571290993 946063232 /nfs/dbraw/zinc/06/32/32/946063232.db2.gz XAOKYZURHPJRAV-UHFFFAOYSA-N -1 1 388.819 1.610 20 0 GDADMM Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822458643 946095413 /nfs/dbraw/zinc/09/54/13/946095413.db2.gz HCAQEPRSXSTKJY-UHFFFAOYSA-N -1 1 394.395 1.358 20 0 GDADMM Cc1nsc(NCC2(O)CCN(C(=O)c3ccoc3)CC2)c1-c1nn[n-]n1 ZINC001571293654 946110742 /nfs/dbraw/zinc/11/07/42/946110742.db2.gz OIDMQBKYQLFATL-UHFFFAOYSA-N -1 1 389.441 1.304 20 0 GDADMM O=C(Cc1ccccc1)N[C@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571294657 946140628 /nfs/dbraw/zinc/14/06/28/946140628.db2.gz KWNDDMTYSFXQBB-NSHDSACASA-N -1 1 389.872 1.914 20 0 GDADMM Cc1nsc(NC[C@@]2(C)CCN(C(=O)C3=COCCC3)C2)c1-c1nn[n-]n1 ZINC001571294759 946142972 /nfs/dbraw/zinc/14/29/72/946142972.db2.gz LZCIAXKSHHRIHN-QGZVFWFLSA-N -1 1 389.485 1.976 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H]3[C@@H](CNC(=O)c4ccccc4)[C@@H]3C2)n1 ZINC001571298698 946224525 /nfs/dbraw/zinc/22/45/25/946224525.db2.gz JREAPPIIFORCJL-QKDCVEJESA-N -1 1 390.451 1.331 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H]3[C@@H](CNC(=O)c4ccccc4)[C@@H]3C2)n1 ZINC001571298698 946224536 /nfs/dbraw/zinc/22/45/36/946224536.db2.gz JREAPPIIFORCJL-QKDCVEJESA-N -1 1 390.451 1.331 20 0 GDADMM Cc1cccc(CC(=O)N2C[C@H]3CC[C@@H](C2)N3c2cnc(-c3nnn[n-]3)cn2)c1 ZINC001571298867 946232694 /nfs/dbraw/zinc/23/26/94/946232694.db2.gz LCRMTCKRDBCVOG-IYBDPMFKSA-N -1 1 390.451 1.387 20 0 GDADMM Cc1cccc(CC(=O)N2C[C@H]3CC[C@@H](C2)N3c2cnc(-c3nn[n-]n3)cn2)c1 ZINC001571298867 946232707 /nfs/dbraw/zinc/23/27/07/946232707.db2.gz LCRMTCKRDBCVOG-IYBDPMFKSA-N -1 1 390.451 1.387 20 0 GDADMM O=C(NC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccc2c(c1)CCC2 ZINC001571299048 946238085 /nfs/dbraw/zinc/23/80/85/946238085.db2.gz TWVWAXLZUIPRAT-CYBMUJFWSA-N -1 1 390.451 1.402 20 0 GDADMM O=C(NC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccc2c(c1)CCC2 ZINC001571299048 946238098 /nfs/dbraw/zinc/23/80/98/946238098.db2.gz TWVWAXLZUIPRAT-CYBMUJFWSA-N -1 1 390.451 1.402 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@H]3[C@@H]2CCN3c2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001571299238 946242588 /nfs/dbraw/zinc/24/25/88/946242588.db2.gz PPHVBTCPTMOFKB-HOTGVXAUSA-N -1 1 390.451 1.849 20 0 GDADMM Cc1nscc1C(=O)N[C@@]1(C)CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571299867 946264448 /nfs/dbraw/zinc/26/44/48/946264448.db2.gz PWJWGGHWGPKHIM-HNNXBMFYSA-N -1 1 390.498 1.795 20 0 GDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1cc2c(cc1Cl)NC(=O)CO2 ZINC001571300070 946273393 /nfs/dbraw/zinc/27/33/93/946273393.db2.gz SSLAPELDDOFBPH-UHFFFAOYSA-N -1 1 390.812 1.843 20 0 GDADMM O=C(Cc1cccnc1)N1CC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571300331 946280921 /nfs/dbraw/zinc/28/09/21/946280921.db2.gz ZUTVNKDVFSQXII-JTQLQIEISA-N -1 1 390.860 1.627 20 0 GDADMM O=C(Cc1cccnc1)N1CC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571300331 946280932 /nfs/dbraw/zinc/28/09/32/946280932.db2.gz ZUTVNKDVFSQXII-JTQLQIEISA-N -1 1 390.860 1.627 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)NCCOc1ccc(F)cc1 ZINC000823027586 946284008 /nfs/dbraw/zinc/28/40/08/946284008.db2.gz XOCZMOFXANLXOW-UHFFFAOYSA-N -1 1 391.384 1.419 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)NCCOc1ccc(F)cc1 ZINC000823027586 946284014 /nfs/dbraw/zinc/28/40/14/946284014.db2.gz XOCZMOFXANLXOW-UHFFFAOYSA-N -1 1 391.384 1.419 20 0 GDADMM O=C(NC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)c1ccc(C2CC2)cn1 ZINC001571303030 946324483 /nfs/dbraw/zinc/32/44/83/946324483.db2.gz JLFBNXCEJWQRIK-AWEZNQCLSA-N -1 1 391.439 1.328 20 0 GDADMM O=C(NC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)c1ccc(C2CC2)cn1 ZINC001571303030 946324493 /nfs/dbraw/zinc/32/44/93/946324493.db2.gz JLFBNXCEJWQRIK-AWEZNQCLSA-N -1 1 391.439 1.328 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ncccc1OCC1CCCCC1 ZINC000823136278 946327734 /nfs/dbraw/zinc/32/77/34/946327734.db2.gz SIIOFRIPAZMDFN-UHFFFAOYSA-N -1 1 383.416 1.451 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ccc(C3CC3)cn2)CCN1c1nccnc1-c1nnn[n-]1 ZINC001571303908 946353158 /nfs/dbraw/zinc/35/31/58/946353158.db2.gz SRWQUQIDBLKWBX-RISCZKNCSA-N -1 1 391.439 1.326 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ccc(C3CC3)cn2)CCN1c1nccnc1-c1nn[n-]n1 ZINC001571303908 946353167 /nfs/dbraw/zinc/35/31/67/946353167.db2.gz SRWQUQIDBLKWBX-RISCZKNCSA-N -1 1 391.439 1.326 20 0 GDADMM Cc1nsc(NC[C@@H]2CCCCN2C(=O)[C@H]2CCCOC2)c1-c1nn[n-]n1 ZINC001571305484 946364719 /nfs/dbraw/zinc/36/47/19/946364719.db2.gz CJIFXANUIMGFKZ-STQMWFEESA-N -1 1 391.501 1.851 20 0 GDADMM Cc1nsc(N[C@@H]2CCCCCN(C(=O)[C@@H]3CCCO3)C2)c1-c1nn[n-]n1 ZINC001571305834 946379753 /nfs/dbraw/zinc/37/97/53/946379753.db2.gz LLRZZDLWJVMKEU-OLZOCXBDSA-N -1 1 391.501 1.994 20 0 GDADMM O=C(c1ncc(Cl)s1)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571306286 946393612 /nfs/dbraw/zinc/39/36/12/946393612.db2.gz RXCYSNUUTIDWRO-MRVPVSSYSA-N -1 1 391.848 1.483 20 0 GDADMM O=C(c1ncc(Cl)s1)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571306286 946393624 /nfs/dbraw/zinc/39/36/24/946393624.db2.gz RXCYSNUUTIDWRO-MRVPVSSYSA-N -1 1 391.848 1.483 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1csc(Cl)n1 ZINC001571306399 946400816 /nfs/dbraw/zinc/40/08/16/946400816.db2.gz VNUXWXPTLCLAKX-ZKCHVHJHSA-N -1 1 391.848 1.387 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1csc(Cl)n1 ZINC001571306399 946400822 /nfs/dbraw/zinc/40/08/22/946400822.db2.gz VNUXWXPTLCLAKX-ZKCHVHJHSA-N -1 1 391.848 1.387 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(C(F)F)CC2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571307232 946420127 /nfs/dbraw/zinc/42/01/27/946420127.db2.gz AFUJHDYEDKIIPL-GHMZBOCLSA-N -1 1 392.414 1.020 20 0 GDADMM C[C@](CO)(NC(=O)c1coc(-c2nnn[n-]2)c1)c1cccc(Br)c1 ZINC001571307242 946421001 /nfs/dbraw/zinc/42/10/01/946421001.db2.gz ANFJHVYAZMDMIX-OAHLLOKOSA-N -1 1 392.213 1.860 20 0 GDADMM C[C@](CO)(NC(=O)c1coc(-c2nn[n-]n2)c1)c1cccc(Br)c1 ZINC001571307242 946421005 /nfs/dbraw/zinc/42/10/05/946421005.db2.gz ANFJHVYAZMDMIX-OAHLLOKOSA-N -1 1 392.213 1.860 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571307290 946422634 /nfs/dbraw/zinc/42/26/34/946422634.db2.gz CNSQUTMJTQWYCO-KRWDZBQOSA-N -1 1 392.414 1.521 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571307290 946422636 /nfs/dbraw/zinc/42/26/36/946422636.db2.gz CNSQUTMJTQWYCO-KRWDZBQOSA-N -1 1 392.414 1.521 20 0 GDADMM CN(C(=O)[C@H]1CCCCC1(F)F)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571307537 946422866 /nfs/dbraw/zinc/42/28/66/946422866.db2.gz DIEYLOSLVUBKRN-VXGBXAGGSA-N -1 1 392.414 1.519 20 0 GDADMM CN(C(=O)[C@H]1CCCCC1(F)F)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571307537 946422872 /nfs/dbraw/zinc/42/28/72/946422872.db2.gz DIEYLOSLVUBKRN-VXGBXAGGSA-N -1 1 392.414 1.519 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCCC[C@@H]2CNC(=O)[C@@H]2CC2(F)F)n1 ZINC001571307306 946423087 /nfs/dbraw/zinc/42/30/87/946423087.db2.gz CUIYHLSUWLKLPA-NEPJUHHUSA-N -1 1 392.414 1.486 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCCC[C@@H]2CNC(=O)[C@@H]2CC2(F)F)n1 ZINC001571307306 946423092 /nfs/dbraw/zinc/42/30/92/946423092.db2.gz CUIYHLSUWLKLPA-NEPJUHHUSA-N -1 1 392.414 1.486 20 0 GDADMM C[C@@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)CN1C(=O)C1CCC(F)(F)CC1 ZINC001571308023 946428742 /nfs/dbraw/zinc/42/87/42/946428742.db2.gz KAGOKNBHKWZLMR-ZYHUDNBSSA-N -1 1 392.414 1.884 20 0 GDADMM C[C@@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)CN1C(=O)C1CCC(F)(F)CC1 ZINC001571308023 946428751 /nfs/dbraw/zinc/42/87/51/946428751.db2.gz KAGOKNBHKWZLMR-ZYHUDNBSSA-N -1 1 392.414 1.884 20 0 GDADMM CCc1nc(NC2CCC(NC(=O)[C@@H]3CC3(F)F)CC2)cc(-c2nnn[n-]2)n1 ZINC001571308043 946429713 /nfs/dbraw/zinc/42/97/13/946429713.db2.gz KNAAUVHBHZZMJI-ILDUYXDCSA-N -1 1 392.414 1.714 20 0 GDADMM CCc1nc(NC2CCC(NC(=O)[C@@H]3CC3(F)F)CC2)cc(-c2nn[n-]n2)n1 ZINC001571308043 946429718 /nfs/dbraw/zinc/42/97/18/946429718.db2.gz KNAAUVHBHZZMJI-ILDUYXDCSA-N -1 1 392.414 1.714 20 0 GDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CCN(C(=O)[C@@H]2CCC2(F)F)CC1 ZINC001571309387 946441672 /nfs/dbraw/zinc/44/16/72/946441672.db2.gz YTMCHIOKRODEQS-PWSUYJOCSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CCN(C(=O)[C@@H]2CCC2(F)F)CC1 ZINC001571309387 946441677 /nfs/dbraw/zinc/44/16/77/946441677.db2.gz YTMCHIOKRODEQS-PWSUYJOCSA-N -1 1 392.414 1.741 20 0 GDADMM O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccnc(-c3nn[n-]n3)n1)C2)c1ccccc1O ZINC001571309506 946446952 /nfs/dbraw/zinc/44/69/52/946446952.db2.gz CBJIUQSSHYAYGB-AVGNSLFASA-N -1 1 392.423 1.150 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCO[C@@H](c2ccco2)C1 ZINC000823601262 946453562 /nfs/dbraw/zinc/45/35/62/946453562.db2.gz YKEMMLPFFGYJSA-CYBMUJFWSA-N -1 1 395.828 1.875 20 0 GDADMM O=C(NCC1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1)[C@H]1COc2ccccc21 ZINC001571309726 946453772 /nfs/dbraw/zinc/45/37/72/946453772.db2.gz IPKRESJRBGPDJJ-YIZWMMSDSA-N -1 1 392.423 1.140 20 0 GDADMM O=C(NCC1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1)[C@H]1COc2ccccc21 ZINC001571309726 946453781 /nfs/dbraw/zinc/45/37/81/946453781.db2.gz IPKRESJRBGPDJJ-YIZWMMSDSA-N -1 1 392.423 1.140 20 0 GDADMM O=C(N1CCC[C@@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1)C1(C(F)F)CC1 ZINC001571309872 946455739 /nfs/dbraw/zinc/45/57/39/946455739.db2.gz NQNKUMWOOBRLNN-NSHDSACASA-N -1 1 392.414 1.743 20 0 GDADMM O=C(N1CCC[C@@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1)C1(C(F)F)CC1 ZINC001571309872 946455746 /nfs/dbraw/zinc/45/57/46/946455746.db2.gz NQNKUMWOOBRLNN-NSHDSACASA-N -1 1 392.414 1.743 20 0 GDADMM O=C(C[C@H]1Cc2ccccc2O1)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571309948 946456796 /nfs/dbraw/zinc/45/67/96/946456796.db2.gz QFGBFPWIDDJFCS-ZIAGYGMSSA-N -1 1 392.423 1.063 20 0 GDADMM O=C(C[C@H]1Cc2ccccc2O1)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571309948 946456810 /nfs/dbraw/zinc/45/68/10/946456810.db2.gz QFGBFPWIDDJFCS-ZIAGYGMSSA-N -1 1 392.423 1.063 20 0 GDADMM O=C(CC1CC(F)(F)C1)N[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571309899 946457208 /nfs/dbraw/zinc/45/72/08/946457208.db2.gz PACWBRSQGFWSME-VXGBXAGGSA-N -1 1 392.414 1.353 20 0 GDADMM C[C@H]1Cc2cc(C(=O)N[C@H]3C[C@H](Nc4ccc(-c5nnn[n-]5)nn4)C3)ccc2O1 ZINC001571309925 946457469 /nfs/dbraw/zinc/45/74/69/946457469.db2.gz PQQKTVWSUHGUPG-BPNCWPANSA-N -1 1 392.423 1.353 20 0 GDADMM C[C@H]1Cc2cc(C(=O)N[C@H]3C[C@H](Nc4ccc(-c5nn[n-]n5)nn4)C3)ccc2O1 ZINC001571309925 946457473 /nfs/dbraw/zinc/45/74/73/946457473.db2.gz PQQKTVWSUHGUPG-BPNCWPANSA-N -1 1 392.423 1.353 20 0 GDADMM O=C(NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCC1(F)F)C1CCCC1 ZINC001571309966 946460159 /nfs/dbraw/zinc/46/01/59/946460159.db2.gz QSYRDCFSTHDBGV-LBPRGKRZSA-N -1 1 392.414 1.425 20 0 GDADMM O=C(NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCC1(F)F)C1CCCC1 ZINC001571309966 946460165 /nfs/dbraw/zinc/46/01/65/946460165.db2.gz QSYRDCFSTHDBGV-LBPRGKRZSA-N -1 1 392.414 1.425 20 0 GDADMM O=C(C[C@H]1Cc2ccccc2O1)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571310085 946461520 /nfs/dbraw/zinc/46/15/20/946461520.db2.gz UVMBVCDZQDVZAS-HZSPNIEDSA-N -1 1 392.423 1.110 20 0 GDADMM O=C(C[C@H]1Cc2ccccc2O1)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571310085 946461532 /nfs/dbraw/zinc/46/15/32/946461532.db2.gz UVMBVCDZQDVZAS-HZSPNIEDSA-N -1 1 392.423 1.110 20 0 GDADMM C[C@@H]1Cc2cc(C(=O)N3CC[C@@H](Nc4cnc(-c5nnn[n-]5)cn4)C3)ccc2O1 ZINC001571310157 946464385 /nfs/dbraw/zinc/46/43/85/946464385.db2.gz XDFRBVORIUWZTA-BXUZGUMPSA-N -1 1 392.423 1.307 20 0 GDADMM C[C@@H]1Cc2cc(C(=O)N3CC[C@@H](Nc4cnc(-c5nn[n-]n5)cn4)C3)ccc2O1 ZINC001571310157 946464388 /nfs/dbraw/zinc/46/43/88/946464388.db2.gz XDFRBVORIUWZTA-BXUZGUMPSA-N -1 1 392.423 1.307 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CCC[C@H]2C(=O)OC(C)C)cc1-c1nn[n-]n1 ZINC001571310371 946471967 /nfs/dbraw/zinc/47/19/67/946471967.db2.gz DEBPIIUGJMPLCF-NSHDSACASA-N -1 1 392.441 1.245 20 0 GDADMM CC(C)[C@@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1)c1ccccc1 ZINC001571310518 946473686 /nfs/dbraw/zinc/47/36/86/946473686.db2.gz ILNFDWCWKIZOOQ-MRXNPFEDSA-N -1 1 392.467 1.745 20 0 GDADMM CC(C)[C@@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1)c1ccccc1 ZINC001571310518 946473694 /nfs/dbraw/zinc/47/36/94/946473694.db2.gz ILNFDWCWKIZOOQ-MRXNPFEDSA-N -1 1 392.467 1.745 20 0 GDADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@@H]1CCCN(C(=O)C2C=CC=CC=C2)C1 ZINC001571311531 946489700 /nfs/dbraw/zinc/48/97/00/946489700.db2.gz ZOUMRDPNARPQTF-GDBMZVCRSA-N -1 1 392.467 1.994 20 0 GDADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)C2C=CC=CC=C2)C1 ZINC001571311531 946489708 /nfs/dbraw/zinc/48/97/08/946489708.db2.gz ZOUMRDPNARPQTF-GDBMZVCRSA-N -1 1 392.467 1.994 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)[C@H]1CCOc2ccccc21 ZINC001571312408 946492381 /nfs/dbraw/zinc/49/23/81/946492381.db2.gz BZIXTPXKBRVUDJ-OBJOEFQTSA-N -1 1 392.423 1.282 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)[C@H]1CCOc2ccccc21 ZINC001571312408 946492387 /nfs/dbraw/zinc/49/23/87/946492387.db2.gz BZIXTPXKBRVUDJ-OBJOEFQTSA-N -1 1 392.423 1.282 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)[C@@H]1CCOc2ccccc21 ZINC001571312409 946492414 /nfs/dbraw/zinc/49/24/14/946492414.db2.gz BZIXTPXKBRVUDJ-YRGRVCCFSA-N -1 1 392.423 1.282 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)[C@@H]1CCOc2ccccc21 ZINC001571312409 946492419 /nfs/dbraw/zinc/49/24/19/946492419.db2.gz BZIXTPXKBRVUDJ-YRGRVCCFSA-N -1 1 392.423 1.282 20 0 GDADMM CCc1ccccc1CC(=O)N1C[C@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571312987 946507187 /nfs/dbraw/zinc/50/71/87/946507187.db2.gz GVXBBVORUGOPBB-SUMWQHHRSA-N -1 1 392.467 1.721 20 0 GDADMM CCc1ccccc1CC(=O)N1C[C@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571312987 946507198 /nfs/dbraw/zinc/50/71/98/946507198.db2.gz GVXBBVORUGOPBB-SUMWQHHRSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001571313634 946528017 /nfs/dbraw/zinc/52/80/17/946528017.db2.gz RTVHUNHEQRIGAV-ZBFHGGJFSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001571313634 946528023 /nfs/dbraw/zinc/52/80/23/946528023.db2.gz RTVHUNHEQRIGAV-ZBFHGGJFSA-N -1 1 392.467 1.888 20 0 GDADMM Cc1ccc(C)c(CC(=O)NC2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)c1 ZINC001571315165 946548561 /nfs/dbraw/zinc/54/85/61/946548561.db2.gz GZMVPYVTWCBYFI-UHFFFAOYSA-N -1 1 392.467 1.601 20 0 GDADMM Cc1ccc(C)c(CC(=O)NC2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)c1 ZINC001571315165 946548573 /nfs/dbraw/zinc/54/85/73/946548573.db2.gz GZMVPYVTWCBYFI-UHFFFAOYSA-N -1 1 392.467 1.601 20 0 GDADMM Cc1ccc(CCC(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@H]2C)cc1 ZINC001571315408 946552595 /nfs/dbraw/zinc/55/25/95/946552595.db2.gz JOWZBFQKLGATPO-ZBFHGGJFSA-N -1 1 392.467 1.999 20 0 GDADMM Cc1ccc(CCC(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@H]2C)cc1 ZINC001571315408 946552601 /nfs/dbraw/zinc/55/26/01/946552601.db2.gz JOWZBFQKLGATPO-ZBFHGGJFSA-N -1 1 392.467 1.999 20 0 GDADMM Cc1ccc(C[C@H](C)C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001571315464 946552943 /nfs/dbraw/zinc/55/29/43/946552943.db2.gz LOTJLXCHAGGHSE-GOEBONIOSA-N -1 1 392.467 1.857 20 0 GDADMM Cc1ccc(C[C@H](C)C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001571315464 946552952 /nfs/dbraw/zinc/55/29/52/946552952.db2.gz LOTJLXCHAGGHSE-GOEBONIOSA-N -1 1 392.467 1.857 20 0 GDADMM Cc1ccc(C[C@@H](C)C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001571315466 946554906 /nfs/dbraw/zinc/55/49/06/946554906.db2.gz LOTJLXCHAGGHSE-ZBFHGGJFSA-N -1 1 392.467 1.857 20 0 GDADMM Cc1ccc(C[C@@H](C)C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001571315466 946554913 /nfs/dbraw/zinc/55/49/13/946554913.db2.gz LOTJLXCHAGGHSE-ZBFHGGJFSA-N -1 1 392.467 1.857 20 0 GDADMM Cc1ccc(C)c(C(=O)N2CC[C@@H](CCNc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571315845 946560711 /nfs/dbraw/zinc/56/07/11/946560711.db2.gz PHHITYSDDNNRQC-OAHLLOKOSA-N -1 1 392.467 1.660 20 0 GDADMM O=C(Cc1ccccc1)N[C@H]1CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571316569 946583056 /nfs/dbraw/zinc/58/30/56/946583056.db2.gz GULZPJUJCMDOJH-HOTGVXAUSA-N -1 1 392.467 1.986 20 0 GDADMM O=C(Cc1ccccc1)N[C@H]1CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571316569 946583066 /nfs/dbraw/zinc/58/30/66/946583066.db2.gz GULZPJUJCMDOJH-HOTGVXAUSA-N -1 1 392.467 1.986 20 0 GDADMM Cc1ccccc1CC(=O)N[C@@H]1CC[C@H](C)N(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571317195 946600614 /nfs/dbraw/zinc/60/06/14/946600614.db2.gz XVMJWXRGQMPCOX-GOEBONIOSA-N -1 1 392.467 1.681 20 0 GDADMM Cc1ccccc1CC(=O)N[C@@H]1CC[C@H](C)N(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571317195 946600619 /nfs/dbraw/zinc/60/06/19/946600619.db2.gz XVMJWXRGQMPCOX-GOEBONIOSA-N -1 1 392.467 1.681 20 0 GDADMM CC(=O)c1ccc(CCNS(=O)(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC001573555926 946918902 /nfs/dbraw/zinc/91/89/02/946918902.db2.gz IBNYFRVPVNGTLV-UHFFFAOYSA-N -1 1 377.451 1.652 20 0 GDADMM CC(=O)c1ccc(CCNS(=O)(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC001573555926 946918908 /nfs/dbraw/zinc/91/89/08/946918908.db2.gz IBNYFRVPVNGTLV-UHFFFAOYSA-N -1 1 377.451 1.652 20 0 GDADMM CC[C@@](C)(CC(=O)OC)NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000825043383 947059946 /nfs/dbraw/zinc/05/99/46/947059946.db2.gz GUJZJNWYIJZNNF-HNNXBMFYSA-N -1 1 380.430 1.151 20 0 GDADMM CC[C@@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)c1ccc2c(c1)OCCO2 ZINC000825134042 947092582 /nfs/dbraw/zinc/09/25/82/947092582.db2.gz RFBXKPXQLFJTJG-GFCCVEGCSA-N -1 1 384.396 1.744 20 0 GDADMM CC[C@@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)c1ccc2c(c1)OCCO2 ZINC000825134042 947092589 /nfs/dbraw/zinc/09/25/89/947092589.db2.gz RFBXKPXQLFJTJG-GFCCVEGCSA-N -1 1 384.396 1.744 20 0 GDADMM CC[C@H]1C[C@H](OC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)CCO1 ZINC000825181968 947110126 /nfs/dbraw/zinc/11/01/26/947110126.db2.gz GTKMIKBUCLLSIX-UONOGXRCSA-N -1 1 399.455 1.960 20 0 GDADMM CC[C@H]1C[C@H](OC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)CCO1 ZINC000825181968 947110132 /nfs/dbraw/zinc/11/01/32/947110132.db2.gz GTKMIKBUCLLSIX-UONOGXRCSA-N -1 1 399.455 1.960 20 0 GDADMM CCCc1cnc(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)s1 ZINC000825348546 947160864 /nfs/dbraw/zinc/16/08/64/947160864.db2.gz PMBQKFIQTBVSBK-UHFFFAOYSA-N -1 1 376.450 1.335 20 0 GDADMM CCCc1cnc(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)s1 ZINC000825348546 947160872 /nfs/dbraw/zinc/16/08/72/947160872.db2.gz PMBQKFIQTBVSBK-UHFFFAOYSA-N -1 1 376.450 1.335 20 0 GDADMM CCN(CC)C(=O)c1ccc(CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)cc1 ZINC000825405747 947176688 /nfs/dbraw/zinc/17/66/88/947176688.db2.gz DUDUETCEXDEVLO-UHFFFAOYSA-N -1 1 397.439 1.504 20 0 GDADMM CCN(CC)C(=O)c1ccc(CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)cc1 ZINC000825405747 947176691 /nfs/dbraw/zinc/17/66/91/947176691.db2.gz DUDUETCEXDEVLO-UHFFFAOYSA-N -1 1 397.439 1.504 20 0 GDADMM CCOC(=O)N(C)c1ccc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)cc1 ZINC000825517386 947211421 /nfs/dbraw/zinc/21/14/21/947211421.db2.gz BJPVGKDINZRYAF-UHFFFAOYSA-N -1 1 385.384 1.937 20 0 GDADMM CCOC(=O)N(C)c1ccc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)cc1 ZINC000825517386 947211433 /nfs/dbraw/zinc/21/14/33/947211433.db2.gz BJPVGKDINZRYAF-UHFFFAOYSA-N -1 1 385.384 1.937 20 0 GDADMM C=C/C(C)=C/CC(=O)N[C@@H]1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)[C@H]1C ZINC001573316841 947282303 /nfs/dbraw/zinc/28/23/03/947282303.db2.gz IJMYHLWYJYLEQZ-PPHUUTPLSA-N -1 1 382.472 1.961 20 0 GDADMM C=C/C(C)=C/CC(=O)N[C@@H]1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)[C@H]1C ZINC001573316841 947282319 /nfs/dbraw/zinc/28/23/19/947282319.db2.gz IJMYHLWYJYLEQZ-PPHUUTPLSA-N -1 1 382.472 1.961 20 0 GDADMM C=C/C(C)=C\CC(=O)N1C[C@@H](CNc2nccnc2-c2nnn[n-]2)[C@H](OCC)C1 ZINC001573316926 947288570 /nfs/dbraw/zinc/28/85/70/947288570.db2.gz JNSVHVDFSYCNDX-CGHRZIEDSA-N -1 1 398.471 1.455 20 0 GDADMM C=C/C(C)=C\CC(=O)N1C[C@@H](CNc2nccnc2-c2nn[n-]n2)[C@H](OCC)C1 ZINC001573316926 947288579 /nfs/dbraw/zinc/28/85/79/947288579.db2.gz JNSVHVDFSYCNDX-CGHRZIEDSA-N -1 1 398.471 1.455 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H](C)c1cccc(F)c1 ZINC001573586752 947293942 /nfs/dbraw/zinc/29/39/42/947293942.db2.gz SHOUAHDRWFCLGF-RYUDHWBXSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H](C)c1cccc(F)c1 ZINC001573586752 947293958 /nfs/dbraw/zinc/29/39/58/947293958.db2.gz SHOUAHDRWFCLGF-RYUDHWBXSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1ccc(-c2nnn[n-]2)nn1)n1cccc1 ZINC001573592908 947354521 /nfs/dbraw/zinc/35/45/21/947354521.db2.gz OFHYMPVXJVQNIA-ZDUSSCGKSA-N -1 1 383.460 1.616 20 0 GDADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1ccc(-c2nn[n-]n2)nn1)n1cccc1 ZINC001573592908 947354534 /nfs/dbraw/zinc/35/45/34/947354534.db2.gz OFHYMPVXJVQNIA-ZDUSSCGKSA-N -1 1 383.460 1.616 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@H]1C[C@@]12CCc1ccccc12 ZINC000825923717 947372750 /nfs/dbraw/zinc/37/27/50/947372750.db2.gz SOVFZCCAKDSAOZ-JLTOFOAXSA-N -1 1 392.467 1.467 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@H]1C[C@@]12CCc1ccccc12 ZINC000825923717 947372765 /nfs/dbraw/zinc/37/27/65/947372765.db2.gz SOVFZCCAKDSAOZ-JLTOFOAXSA-N -1 1 392.467 1.467 20 0 GDADMM C[C@H](C(=O)N(C)Cc1cc(-c2ccccc2)n[nH]1)n1cnc(-c2nn[n-]n2)n1 ZINC001573602904 947474627 /nfs/dbraw/zinc/47/46/27/947474627.db2.gz BIEQDRMPZSRJML-LLVKDONJSA-N -1 1 378.400 1.068 20 0 GDADMM C[C@H](C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1)[C@H](C)C(C)(C)C ZINC001573604574 947513930 /nfs/dbraw/zinc/51/39/30/947513930.db2.gz PFNZESMGZMSNTQ-STQMWFEESA-N -1 1 390.492 1.208 20 0 GDADMM C[C@H](C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1)[C@H](C)C(C)(C)C ZINC001573604574 947513939 /nfs/dbraw/zinc/51/39/39/947513939.db2.gz PFNZESMGZMSNTQ-STQMWFEESA-N -1 1 390.492 1.208 20 0 GDADMM C=Cc1ccc(C(=O)N2CCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573350350 947594811 /nfs/dbraw/zinc/59/48/11/947594811.db2.gz AMTYPEKEGRAQOW-HNNXBMFYSA-N -1 1 376.424 1.438 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573615286 947604779 /nfs/dbraw/zinc/60/47/79/947604779.db2.gz DAMWKASDQYUUEI-VXGBXAGGSA-N -1 1 384.469 1.559 20 0 GDADMM C=Cc1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573351062 947607715 /nfs/dbraw/zinc/60/77/15/947607715.db2.gz JGZWLBKMQJWFRP-IUODEOHRSA-N -1 1 376.424 1.294 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@@H](N(C)c3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573351810 947618906 /nfs/dbraw/zinc/61/89/06/947618906.db2.gz RQKXDUDQOOKIPF-OAHLLOKOSA-N -1 1 376.424 1.651 20 0 GDADMM C=Cc1ccc(C(=O)N(C)[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C2CC2)cc1 ZINC001573352117 947625215 /nfs/dbraw/zinc/62/52/15/947625215.db2.gz VMQNZMMYEIWDJW-MRXNPFEDSA-N -1 1 390.451 1.684 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001573617513 947638660 /nfs/dbraw/zinc/63/86/60/947638660.db2.gz PLJDQBNEYLMFMZ-ZJUUUORDSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001573617513 947638664 /nfs/dbraw/zinc/63/86/64/947638664.db2.gz PLJDQBNEYLMFMZ-ZJUUUORDSA-N -1 1 384.366 1.506 20 0 GDADMM C=Cc1ccc(C(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001573355094 947641402 /nfs/dbraw/zinc/64/14/02/947641402.db2.gz MJDSGCMKKSFASP-OAHLLOKOSA-N -1 1 376.424 1.438 20 0 GDADMM COc1cccc2c1CCN(S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)C2 ZINC000826217789 947641963 /nfs/dbraw/zinc/64/19/63/947641963.db2.gz BYMOGSNOADYVTO-UHFFFAOYSA-N -1 1 389.412 1.761 20 0 GDADMM COc1cccc2c1CCN(S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)C2 ZINC000826217789 947641965 /nfs/dbraw/zinc/64/19/65/947641965.db2.gz BYMOGSNOADYVTO-UHFFFAOYSA-N -1 1 389.412 1.761 20 0 GDADMM COc1cccc2cc(C(=O)N(C)CCCc3[nH]nc(N)c3-c3nnn[n-]3)oc21 ZINC000826217837 947642178 /nfs/dbraw/zinc/64/21/78/947642178.db2.gz FABIBGWIINHZAG-UHFFFAOYSA-N -1 1 396.411 1.632 20 0 GDADMM COc1cccc2cc(C(=O)N(C)CCCc3[nH]nc(N)c3-c3nn[n-]n3)oc21 ZINC000826217837 947642179 /nfs/dbraw/zinc/64/21/79/947642179.db2.gz FABIBGWIINHZAG-UHFFFAOYSA-N -1 1 396.411 1.632 20 0 GDADMM C=Cc1ccc(C(=O)N[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C2CC2)cc1 ZINC001573355389 947643771 /nfs/dbraw/zinc/64/37/71/947643771.db2.gz OVQJQDDUJAZPHJ-OAHLLOKOSA-N -1 1 376.424 1.342 20 0 GDADMM COc1ccccc1C[C@@H]1CCCN1C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000826219769 947652930 /nfs/dbraw/zinc/65/29/30/947652930.db2.gz QAGPLEPOWFUECM-AWEZNQCLSA-N -1 1 382.424 1.948 20 0 GDADMM COc1ccccc1C[C@@H]1CCCN1C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000826219769 947652935 /nfs/dbraw/zinc/65/29/35/947652935.db2.gz QAGPLEPOWFUECM-AWEZNQCLSA-N -1 1 382.424 1.948 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1)c1ccsc1 ZINC001573619695 947670468 /nfs/dbraw/zinc/67/04/68/947670468.db2.gz XLIQYDMBOFKRJZ-NEPJUHHUSA-N -1 1 384.469 1.782 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1)c1ccsc1 ZINC001573619695 947670474 /nfs/dbraw/zinc/67/04/74/947670474.db2.gz XLIQYDMBOFKRJZ-NEPJUHHUSA-N -1 1 384.469 1.782 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001573619867 947672007 /nfs/dbraw/zinc/67/20/07/947672007.db2.gz XDSPSKYPPGZWKA-UONOGXRCSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001573619867 947672014 /nfs/dbraw/zinc/67/20/14/947672014.db2.gz XDSPSKYPPGZWKA-UONOGXRCSA-N -1 1 381.444 1.370 20 0 GDADMM C/C(=C/C(=O)NCC1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001573361797 947695810 /nfs/dbraw/zinc/69/58/10/947695810.db2.gz DXJZGFPQKRMUBQ-QBFSEMIESA-N -1 1 382.472 1.736 20 0 GDADMM C/C(=C\C(=O)N[C@]12CCC[C@H]1N(c1nccnc1-c1nnn[n-]1)CC2)C1CC1 ZINC001573363448 947713773 /nfs/dbraw/zinc/71/37/73/947713773.db2.gz NYKMCBVCXLAEDQ-URRPHDDBSA-N -1 1 380.456 1.631 20 0 GDADMM C/C(=C\C(=O)N[C@]12CCC[C@H]1N(c1nccnc1-c1nn[n-]n1)CC2)C1CC1 ZINC001573363448 947713779 /nfs/dbraw/zinc/71/37/79/947713779.db2.gz NYKMCBVCXLAEDQ-URRPHDDBSA-N -1 1 380.456 1.631 20 0 GDADMM CC(C(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)=C1CCCC1 ZINC001573627328 947718950 /nfs/dbraw/zinc/71/89/50/947718950.db2.gz AAOYQZVAZGFJOG-HNNXBMFYSA-N -1 1 382.472 1.762 20 0 GDADMM C/C(=C\C(=O)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)[C@H](C)C1)C1CC1 ZINC001573364921 947725365 /nfs/dbraw/zinc/72/53/65/947725365.db2.gz RVMNNJWPTBELSN-AMWPYFQMSA-N -1 1 382.472 1.910 20 0 GDADMM C/C(=C\C(=O)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)[C@H](C)C1)C1CC1 ZINC001573364921 947725371 /nfs/dbraw/zinc/72/53/71/947725371.db2.gz RVMNNJWPTBELSN-AMWPYFQMSA-N -1 1 382.472 1.910 20 0 GDADMM C[C@@H](C(=O)N1CC[C@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1)C(C)(F)F ZINC001573627612 947729748 /nfs/dbraw/zinc/72/97/48/947729748.db2.gz AZNKVMFEXBPTJV-GTNSWQLSSA-N -1 1 392.414 1.377 20 0 GDADMM C[C@@H](C(=O)N1CC[C@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1)C(C)(F)F ZINC001573627612 947729754 /nfs/dbraw/zinc/72/97/54/947729754.db2.gz AZNKVMFEXBPTJV-GTNSWQLSSA-N -1 1 392.414 1.377 20 0 GDADMM C[C@H](C(=O)N1CC[C@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1)C(C)(F)F ZINC001573627611 947730110 /nfs/dbraw/zinc/73/01/10/947730110.db2.gz AZNKVMFEXBPTJV-DIFFPNOSSA-N -1 1 392.414 1.377 20 0 GDADMM C[C@H](C(=O)N1CC[C@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1)C(C)(F)F ZINC001573627611 947730119 /nfs/dbraw/zinc/73/01/19/947730119.db2.gz AZNKVMFEXBPTJV-DIFFPNOSSA-N -1 1 392.414 1.377 20 0 GDADMM C/C(=C/C(=O)N1CC[C@@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1)C1CC1 ZINC001573365577 947732054 /nfs/dbraw/zinc/73/20/54/947732054.db2.gz SZVUWPVXPTXLPZ-QTJNJRLBSA-N -1 1 380.456 1.442 20 0 GDADMM C/C(=C/C(=O)N1CC[C@@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1)C1CC1 ZINC001573365577 947732061 /nfs/dbraw/zinc/73/20/61/947732061.db2.gz SZVUWPVXPTXLPZ-QTJNJRLBSA-N -1 1 380.456 1.442 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1)C(C)(F)F ZINC001573628302 947750578 /nfs/dbraw/zinc/75/05/78/947750578.db2.gz KLPXWWZWYJDQOM-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1)C(C)(F)F ZINC001573628302 947750588 /nfs/dbraw/zinc/75/05/88/947750588.db2.gz KLPXWWZWYJDQOM-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](C(=O)N1CC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1)C(C)(F)F ZINC001573629021 947769867 /nfs/dbraw/zinc/76/98/67/947769867.db2.gz LNYWJFSTHYQYRF-PIGZYNQJSA-N -1 1 392.414 1.377 20 0 GDADMM C[C@H](C(=O)N1CC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1)C(C)(F)F ZINC001573629021 947769868 /nfs/dbraw/zinc/76/98/68/947769868.db2.gz LNYWJFSTHYQYRF-PIGZYNQJSA-N -1 1 392.414 1.377 20 0 GDADMM CC(=O)CCCC(=O)N1C[C@H]2CC[C@@H](C1)N2c1snc(C)c1-c1nn[n-]n1 ZINC001573368863 947770194 /nfs/dbraw/zinc/77/01/94/947770194.db2.gz QAQYSNPHTNLZEH-BETUJISGSA-N -1 1 389.485 1.571 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)c1ccsc1 ZINC001573630552 947791952 /nfs/dbraw/zinc/79/19/52/947791952.db2.gz YOIVMBYLMLOCAU-WCQYABFASA-N -1 1 384.469 1.925 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)c1ccsc1 ZINC001573630552 947791959 /nfs/dbraw/zinc/79/19/59/947791959.db2.gz YOIVMBYLMLOCAU-WCQYABFASA-N -1 1 384.469 1.925 20 0 GDADMM CC(=O)CCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001573373516 947794758 /nfs/dbraw/zinc/79/47/58/947794758.db2.gz DCEBRSCUYIXETQ-AGUYFDCRSA-N -1 1 384.444 1.032 20 0 GDADMM CC(=O)CCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001573373516 947794767 /nfs/dbraw/zinc/79/47/67/947794767.db2.gz DCEBRSCUYIXETQ-AGUYFDCRSA-N -1 1 384.444 1.032 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@H]1[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001573373743 947799520 /nfs/dbraw/zinc/79/95/20/947799520.db2.gz LCOQDLBDLAZYIN-HIFRSBDPSA-N -1 1 386.460 1.598 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@H]1[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001573373743 947799529 /nfs/dbraw/zinc/79/95/29/947799529.db2.gz LCOQDLBDLAZYIN-HIFRSBDPSA-N -1 1 386.460 1.598 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573374239 947806455 /nfs/dbraw/zinc/80/64/55/947806455.db2.gz IPYCLVXIHIEADD-KGLIPLIRSA-N -1 1 386.460 1.503 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573374239 947806461 /nfs/dbraw/zinc/80/64/61/947806461.db2.gz IPYCLVXIHIEADD-KGLIPLIRSA-N -1 1 386.460 1.503 20 0 GDADMM C[C@H](C(=O)N1CC[C@]2(C1)CCCN(c1ccc(-c3nnn[n-]3)nn1)C2)C1CC1 ZINC001573632017 947806702 /nfs/dbraw/zinc/80/67/02/947806702.db2.gz XZJFXHOSRSTZMY-ORAYPTAESA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H](C(=O)N1CC[C@]2(C1)CCCN(c1ccc(-c3nn[n-]n3)nn1)C2)C1CC1 ZINC001573632017 947806726 /nfs/dbraw/zinc/80/67/26/947806726.db2.gz XZJFXHOSRSTZMY-ORAYPTAESA-N -1 1 382.472 1.522 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@H]1[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573374530 947808818 /nfs/dbraw/zinc/80/88/18/947808818.db2.gz NUXXYLBCQXQOES-HIFRSBDPSA-N -1 1 386.460 1.598 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@H]1[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573374530 947808823 /nfs/dbraw/zinc/80/88/23/947808823.db2.gz NUXXYLBCQXQOES-HIFRSBDPSA-N -1 1 386.460 1.598 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573374602 947810121 /nfs/dbraw/zinc/81/01/21/947810121.db2.gz KIRGGXVEPREIBI-AWEZNQCLSA-N -1 1 386.460 1.503 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573374602 947810131 /nfs/dbraw/zinc/81/01/31/947810131.db2.gz KIRGGXVEPREIBI-AWEZNQCLSA-N -1 1 386.460 1.503 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001573375013 947813630 /nfs/dbraw/zinc/81/36/30/947813630.db2.gz PYCYHRTVYCQIQG-AWEZNQCLSA-N -1 1 386.460 1.599 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001573375013 947813635 /nfs/dbraw/zinc/81/36/35/947813635.db2.gz PYCYHRTVYCQIQG-AWEZNQCLSA-N -1 1 386.460 1.599 20 0 GDADMM Cc1onc(CC(=O)N2CCN(c3cc(C)ccc3C)CC2)c1-c1nnn[n-]1 ZINC000826285335 947820093 /nfs/dbraw/zinc/82/00/93/947820093.db2.gz WOBJWKPSDUYTPP-UHFFFAOYSA-N -1 1 381.440 1.671 20 0 GDADMM Cc1onc(CC(=O)N2CCN(c3cc(C)ccc3C)CC2)c1-c1nn[n-]n1 ZINC000826285335 947820104 /nfs/dbraw/zinc/82/01/04/947820104.db2.gz WOBJWKPSDUYTPP-UHFFFAOYSA-N -1 1 381.440 1.671 20 0 GDADMM C[C@H](C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)c1ccsc1 ZINC001573637700 947822110 /nfs/dbraw/zinc/82/21/10/947822110.db2.gz NPZORRUHTIXFOC-LBPRGKRZSA-N -1 1 384.469 1.561 20 0 GDADMM C[C@H](C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)c1ccsc1 ZINC001573637700 947822118 /nfs/dbraw/zinc/82/21/18/947822118.db2.gz NPZORRUHTIXFOC-LBPRGKRZSA-N -1 1 384.469 1.561 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573637951 947829448 /nfs/dbraw/zinc/82/94/48/947829448.db2.gz WYJWTSJTZRJFRD-ZJUUUORDSA-N -1 1 384.366 1.070 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CCCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001573376795 947841868 /nfs/dbraw/zinc/84/18/68/947841868.db2.gz XZLBQWDLBFTTMT-ZIAGYGMSSA-N -1 1 386.460 1.503 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001573376795 947841877 /nfs/dbraw/zinc/84/18/77/947841877.db2.gz XZLBQWDLBFTTMT-ZIAGYGMSSA-N -1 1 386.460 1.503 20 0 GDADMM CC(=O)CCCC(=O)NC[C@@H]1CCCCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001573380284 947857112 /nfs/dbraw/zinc/85/71/12/947857112.db2.gz ADEUBKKRKBDJEC-AWEZNQCLSA-N -1 1 386.460 1.281 20 0 GDADMM CC(=O)CCCC(=O)NC[C@@H]1CCCCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001573380284 947857120 /nfs/dbraw/zinc/85/71/20/947857120.db2.gz ADEUBKKRKBDJEC-AWEZNQCLSA-N -1 1 386.460 1.281 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](C)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001573641814 947858507 /nfs/dbraw/zinc/85/85/07/947858507.db2.gz NPBANSFWYZHREZ-MCIONIFRSA-N -1 1 396.459 1.153 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](C)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001573641814 947858513 /nfs/dbraw/zinc/85/85/13/947858513.db2.gz NPBANSFWYZHREZ-MCIONIFRSA-N -1 1 396.459 1.153 20 0 GDADMM CC(=O)CCCC(=O)NC[C@H](C)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573381379 947873075 /nfs/dbraw/zinc/87/30/75/947873075.db2.gz UKUNHFWTSXXDJH-QMMMGPOBSA-N -1 1 385.881 1.900 20 0 GDADMM CC(=O)CCCC(=O)NC[C@H]1CCCN1c1snc(C)c1-c1nn[n-]n1 ZINC001573382048 947880662 /nfs/dbraw/zinc/88/06/62/947880662.db2.gz CTYNVQOSQWASLD-GFCCVEGCSA-N -1 1 377.474 1.476 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1)c1ccco1 ZINC001573647332 947890373 /nfs/dbraw/zinc/89/03/73/947890373.db2.gz ICTQXRTZIFGCBG-JHJVBQTASA-N -1 1 382.428 1.560 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1)c1ccco1 ZINC001573647332 947890385 /nfs/dbraw/zinc/89/03/85/947890385.db2.gz ICTQXRTZIFGCBG-JHJVBQTASA-N -1 1 382.428 1.560 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](CNc2nccnc2-c2nnn[n-]2)[C@H](C)C1)C(F)(F)F ZINC001573647726 947901362 /nfs/dbraw/zinc/90/13/62/947901362.db2.gz SLHVAYNORBGDCN-KXUCPTDWSA-N -1 1 384.366 1.362 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](CNc2nccnc2-c2nn[n-]n2)[C@H](C)C1)C(F)(F)F ZINC001573647726 947901369 /nfs/dbraw/zinc/90/13/69/947901369.db2.gz SLHVAYNORBGDCN-KXUCPTDWSA-N -1 1 384.366 1.362 20 0 GDADMM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1)c1cccs1 ZINC001573652098 947929219 /nfs/dbraw/zinc/92/92/19/947929219.db2.gz VDYGDYVTBLKPMZ-SRVKXCTJSA-N -1 1 382.453 1.311 20 0 GDADMM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1)c1cccs1 ZINC001573652098 947929225 /nfs/dbraw/zinc/92/92/25/947929225.db2.gz VDYGDYVTBLKPMZ-SRVKXCTJSA-N -1 1 382.453 1.311 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@]1(C)CCO[C@@H]1C ZINC000826328407 947957372 /nfs/dbraw/zinc/95/73/72/947957372.db2.gz QFONDTIUXKXDNX-KZULUSFZSA-N -1 1 384.444 1.143 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@]1(C)CCO[C@@H]1C ZINC000826328407 947957376 /nfs/dbraw/zinc/95/73/76/947957376.db2.gz QFONDTIUXKXDNX-KZULUSFZSA-N -1 1 384.444 1.143 20 0 GDADMM C[C@@H](C(=O)N[C@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccsc1 ZINC001573655998 947983839 /nfs/dbraw/zinc/98/38/39/947983839.db2.gz BCWYXDBDPQOXRF-PIGZYNQJSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)N[C@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccsc1 ZINC001573655998 947983847 /nfs/dbraw/zinc/98/38/47/947983847.db2.gz BCWYXDBDPQOXRF-PIGZYNQJSA-N -1 1 384.469 1.607 20 0 GDADMM Cc1onc(CC(=O)N(C)Cc2ccccc2N2CCOCC2)c1-c1nnn[n-]1 ZINC000826342953 947985509 /nfs/dbraw/zinc/98/55/09/947985509.db2.gz GQNGQCIMKXHFMG-UHFFFAOYSA-N -1 1 397.439 1.201 20 0 GDADMM Cc1onc(CC(=O)N(C)Cc2ccccc2N2CCOCC2)c1-c1nn[n-]n1 ZINC000826342953 947985517 /nfs/dbraw/zinc/98/55/17/947985517.db2.gz GQNGQCIMKXHFMG-UHFFFAOYSA-N -1 1 397.439 1.201 20 0 GDADMM Cc1onc(CC(=O)N(C)CC(=O)Nc2cccc(Cl)c2)c1-c1nnn[n-]1 ZINC000826343329 947987942 /nfs/dbraw/zinc/98/79/42/947987942.db2.gz WFBSKUFUXFHPQF-UHFFFAOYSA-N -1 1 389.803 1.456 20 0 GDADMM Cc1onc(CC(=O)N(C)CC(=O)Nc2cccc(Cl)c2)c1-c1nn[n-]n1 ZINC000826343329 947987948 /nfs/dbraw/zinc/98/79/48/947987948.db2.gz WFBSKUFUXFHPQF-UHFFFAOYSA-N -1 1 389.803 1.456 20 0 GDADMM Cc1onc(CC(=O)N2CCC([C@@H](O)c3ccccc3)CC2)c1-c1nnn[n-]1 ZINC000826343972 948000054 /nfs/dbraw/zinc/00/00/54/948000054.db2.gz SSISREQAAGKQPG-SFHVURJKSA-N -1 1 382.424 1.678 20 0 GDADMM Cc1onc(CC(=O)N2CCC([C@@H](O)c3ccccc3)CC2)c1-c1nn[n-]n1 ZINC000826343972 948000060 /nfs/dbraw/zinc/00/00/60/948000060.db2.gz SSISREQAAGKQPG-SFHVURJKSA-N -1 1 382.424 1.678 20 0 GDADMM Cc1onc(CC(=O)N[C@H](C)c2nc(Cc3ccccc3)no2)c1-c1nnn[n-]1 ZINC000826345247 948021753 /nfs/dbraw/zinc/02/17/53/948021753.db2.gz HEZRWAQGWQIIGN-SNVBAGLBSA-N -1 1 394.395 1.557 20 0 GDADMM Cc1onc(CC(=O)N[C@H](C)c2nc(Cc3ccccc3)no2)c1-c1nn[n-]n1 ZINC000826345247 948021762 /nfs/dbraw/zinc/02/17/62/948021762.db2.gz HEZRWAQGWQIIGN-SNVBAGLBSA-N -1 1 394.395 1.557 20 0 GDADMM C[C@H](C(=O)N[C@@]12CCC[C@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2)C1CCC1 ZINC001573661828 948023602 /nfs/dbraw/zinc/02/36/02/948023602.db2.gz AITQDUVOEQRPSM-IOHHAYIISA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H](C(=O)N[C@@]12CCC[C@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2)C1CCC1 ZINC001573661828 948023610 /nfs/dbraw/zinc/02/36/10/948023610.db2.gz AITQDUVOEQRPSM-IOHHAYIISA-N -1 1 382.472 1.711 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](c2nccn2C)c2ccccc2F)c1-c1nnn[n-]1 ZINC000826345470 948026366 /nfs/dbraw/zinc/02/63/66/948026366.db2.gz LTHXDDOQCPWNEF-MRXNPFEDSA-N -1 1 396.386 1.484 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](c2nccn2C)c2ccccc2F)c1-c1nn[n-]n1 ZINC000826345470 948026375 /nfs/dbraw/zinc/02/63/75/948026375.db2.gz LTHXDDOQCPWNEF-MRXNPFEDSA-N -1 1 396.386 1.484 20 0 GDADMM Cc1onc(CC(=O)N2CCOC[C@H]2CC(=O)c2ccccc2)c1-c1nnn[n-]1 ZINC000826345906 948033508 /nfs/dbraw/zinc/03/35/08/948033508.db2.gz XQWLVGHTFFTTDK-CQSZACIVSA-N -1 1 396.407 1.206 20 0 GDADMM Cc1onc(CC(=O)N2CCOC[C@H]2CC(=O)c2ccccc2)c1-c1nn[n-]n1 ZINC000826345906 948033514 /nfs/dbraw/zinc/03/35/14/948033514.db2.gz XQWLVGHTFFTTDK-CQSZACIVSA-N -1 1 396.407 1.206 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)c1ccco1 ZINC001573663874 948043175 /nfs/dbraw/zinc/04/31/75/948043175.db2.gz BBIIQIDMTBBQBN-QWHCGFSZSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)c1ccco1 ZINC001573663874 948043184 /nfs/dbraw/zinc/04/31/84/948043184.db2.gz BBIIQIDMTBBQBN-QWHCGFSZSA-N -1 1 382.428 1.529 20 0 GDADMM Cc1onc(CC(=O)NC2(c3ccc(F)cc3)CCOCC2)c1-c1nnn[n-]1 ZINC000826346610 948044391 /nfs/dbraw/zinc/04/43/91/948044391.db2.gz QJBSYMXIVNXRAO-UHFFFAOYSA-N -1 1 386.387 1.667 20 0 GDADMM Cc1onc(CC(=O)NC2(c3ccc(F)cc3)CCOCC2)c1-c1nn[n-]n1 ZINC000826346610 948044400 /nfs/dbraw/zinc/04/44/00/948044400.db2.gz QJBSYMXIVNXRAO-UHFFFAOYSA-N -1 1 386.387 1.667 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C(F)(F)F ZINC001573664139 948049316 /nfs/dbraw/zinc/04/93/16/948049316.db2.gz CDZBPWDJQRIBAU-ZJUUUORDSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C(F)(F)F ZINC001573664139 948049326 /nfs/dbraw/zinc/04/93/26/948049326.db2.gz CDZBPWDJQRIBAU-ZJUUUORDSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1)C1CCCC1 ZINC001573664440 948053169 /nfs/dbraw/zinc/05/31/69/948053169.db2.gz DNAJRDNWKLCLGP-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1)C1CCCC1 ZINC001573664440 948053179 /nfs/dbraw/zinc/05/31/79/948053179.db2.gz DNAJRDNWKLCLGP-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1)C(C)(C)C ZINC001573664583 948058694 /nfs/dbraw/zinc/05/86/94/948058694.db2.gz FWCVSJPJCTZDKK-RLAWYHOSSA-N -1 1 384.488 1.955 20 0 GDADMM C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1)C(C)(C)C ZINC001573664583 948058703 /nfs/dbraw/zinc/05/87/03/948058703.db2.gz FWCVSJPJCTZDKK-RLAWYHOSSA-N -1 1 384.488 1.955 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C(C)(F)F ZINC001573667134 948095850 /nfs/dbraw/zinc/09/58/50/948095850.db2.gz YCWBGNSEESSGFA-QWRGUYRKSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C(C)(F)F ZINC001573667134 948095860 /nfs/dbraw/zinc/09/58/60/948095860.db2.gz YCWBGNSEESSGFA-QWRGUYRKSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C1CCCC1 ZINC001573667320 948096272 /nfs/dbraw/zinc/09/62/72/948096272.db2.gz YYKXKLIYBKLUQM-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cccc(F)c1 ZINC001573675146 948119057 /nfs/dbraw/zinc/11/90/57/948119057.db2.gz OZYQIUOEQTXNEC-SMDDNHRTSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cccc(F)c1 ZINC001573675146 948119063 /nfs/dbraw/zinc/11/90/63/948119063.db2.gz OZYQIUOEQTXNEC-SMDDNHRTSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@H](C(=O)N[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC1(C)C)c1ccco1 ZINC001573676964 948131057 /nfs/dbraw/zinc/13/10/57/948131057.db2.gz BNDHZLMDTXBGDO-AAEUAGOBSA-N -1 1 382.428 1.384 20 0 GDADMM C[C@H](C(=O)N[C@H]1CN(c2nccnc2-c2nn[n-]n2)CC1(C)C)c1ccco1 ZINC001573676964 948131064 /nfs/dbraw/zinc/13/10/64/948131064.db2.gz BNDHZLMDTXBGDO-AAEUAGOBSA-N -1 1 382.428 1.384 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1F ZINC001573677255 948133758 /nfs/dbraw/zinc/13/37/58/948133758.db2.gz XBUXJYPUGYALDS-NEPJUHHUSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1F ZINC001573677255 948133766 /nfs/dbraw/zinc/13/37/66/948133766.db2.gz XBUXJYPUGYALDS-NEPJUHHUSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1F ZINC001573677258 948134415 /nfs/dbraw/zinc/13/44/15/948134415.db2.gz XBUXJYPUGYALDS-NWDGAFQWSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1F ZINC001573677258 948134424 /nfs/dbraw/zinc/13/44/24/948134424.db2.gz XBUXJYPUGYALDS-NWDGAFQWSA-N -1 1 382.403 1.294 20 0 GDADMM CC(C)[C@@H](CNC(=O)[C@H](C)c1cccs1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573678992 948156135 /nfs/dbraw/zinc/15/61/35/948156135.db2.gz HGGJVKRCPQIVNE-VXGBXAGGSA-N -1 1 386.485 1.497 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C)c1ccco1 ZINC001573680618 948184503 /nfs/dbraw/zinc/18/45/03/948184503.db2.gz QZLYHUUQLADHBU-SMDDNHRTSA-N -1 1 382.428 1.384 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C)c1ccco1 ZINC001573680618 948184512 /nfs/dbraw/zinc/18/45/12/948184512.db2.gz QZLYHUUQLADHBU-SMDDNHRTSA-N -1 1 382.428 1.384 20 0 GDADMM C[C@H](C(=O)NC[C@]1(C)CCCN(c2cncc(-c3nnn[n-]3)n2)C1)C1CCC1 ZINC001573689963 948221242 /nfs/dbraw/zinc/22/12/42/948221242.db2.gz BEVWVXBFBWDFIB-DJJJIMSYSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NC[C@]1(C)CCCN(c2cncc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573689963 948221251 /nfs/dbraw/zinc/22/12/51/948221251.db2.gz BEVWVXBFBWDFIB-DJJJIMSYSA-N -1 1 384.488 1.816 20 0 GDADMM CC(=O)N1CC[C@H](OC(=O)[C@@H](C)n2cnc(-c3nn[n-]n3)n2)c2ccccc21 ZINC001573439654 948250483 /nfs/dbraw/zinc/25/04/83/948250483.db2.gz NXOFWJOOMLAFEU-YGRLFVJLSA-N -1 1 382.384 1.060 20 0 GDADMM C[C@H](C(=O)NC[C@@]1(C)CN(c2cncc(-c3nnn[n-]3)n2)CCO1)C(C)(C)C ZINC001573691902 948250900 /nfs/dbraw/zinc/25/09/00/948250900.db2.gz KWWSDCJUVXPNRB-XIKOKIGWSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@H](C(=O)NC[C@@]1(C)CN(c2cncc(-c3nn[n-]n3)n2)CCO1)C(C)(C)C ZINC001573691902 948250905 /nfs/dbraw/zinc/25/09/05/948250905.db2.gz KWWSDCJUVXPNRB-XIKOKIGWSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@H](C(=O)NC[C@@]1(C)CCCN(c2nccnc2-c2nnn[n-]2)C1)C1CCC1 ZINC001573692519 948267654 /nfs/dbraw/zinc/26/76/54/948267654.db2.gz PPBFWYRLAPHKEF-ORAYPTAESA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NC[C@@]1(C)CCCN(c2nccnc2-c2nn[n-]n2)C1)C1CCC1 ZINC001573692519 948267664 /nfs/dbraw/zinc/26/76/64/948267664.db2.gz PPBFWYRLAPHKEF-ORAYPTAESA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCCC1)[C@@H]1CCCO1 ZINC001573693275 948279724 /nfs/dbraw/zinc/27/97/24/948279724.db2.gz VYTUUHGOPMEWJS-JSGCOSHPSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCCC1)[C@@H]1CCCO1 ZINC001573693275 948279735 /nfs/dbraw/zinc/27/97/35/948279735.db2.gz VYTUUHGOPMEWJS-JSGCOSHPSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](C(=O)NCC1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cccnc1 ZINC001573696343 948322670 /nfs/dbraw/zinc/32/26/70/948322670.db2.gz OFEGKDKGMQCVDJ-LKSINWNRSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@@H](C(=O)NCC1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cccnc1 ZINC001573696343 948322680 /nfs/dbraw/zinc/32/26/80/948322680.db2.gz OFEGKDKGMQCVDJ-LKSINWNRSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCC1)c1ccsc1 ZINC001573696867 948336916 /nfs/dbraw/zinc/33/69/16/948336916.db2.gz YSQHTGHZSQPOHJ-LLVKDONJSA-N -1 1 384.469 1.973 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCC1)c1ccsc1 ZINC001573696867 948336922 /nfs/dbraw/zinc/33/69/22/948336922.db2.gz YSQHTGHZSQPOHJ-LLVKDONJSA-N -1 1 384.469 1.973 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1)n1cccc1 ZINC001573702275 948344577 /nfs/dbraw/zinc/34/45/77/948344577.db2.gz DCCADCNXPYSPQV-KBPBESRZSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1)n1cccc1 ZINC001573702275 948344586 /nfs/dbraw/zinc/34/45/86/948344586.db2.gz DCCADCNXPYSPQV-KBPBESRZSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001573702547 948347412 /nfs/dbraw/zinc/34/74/12/948347412.db2.gz FDBZRDWGZCVOCY-CHWSQXEVSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCCCN1c1cnc(-c2nnn[n-]2)cn1)C1CCC1 ZINC001573702944 948351429 /nfs/dbraw/zinc/35/14/29/948351429.db2.gz HSSDJHJHMJEVHP-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCCCN1c1cnc(-c2nn[n-]n2)cn1)C1CCC1 ZINC001573702944 948351437 /nfs/dbraw/zinc/35/14/37/948351437.db2.gz HSSDJHJHMJEVHP-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCC(C)(C)CN1c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001573703986 948361353 /nfs/dbraw/zinc/36/13/53/948361353.db2.gz NSHJICHUYIJZOU-OCCSQVGLSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCC(C)(C)CN1c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001573703986 948361361 /nfs/dbraw/zinc/36/13/61/948361361.db2.gz NSHJICHUYIJZOU-OCCSQVGLSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)C(C)(F)F ZINC001573704011 948362321 /nfs/dbraw/zinc/36/23/21/948362321.db2.gz NYSIVOOXVZNPCU-MNOVXSKESA-N -1 1 380.403 1.281 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573704011 948362330 /nfs/dbraw/zinc/36/23/30/948362330.db2.gz NYSIVOOXVZNPCU-MNOVXSKESA-N -1 1 380.403 1.281 20 0 GDADMM O=C(c1cccc(NCc2ccnc(-c3nnn[n-]3)c2)c1)N1CCC(CO)CC1 ZINC000826474096 948374175 /nfs/dbraw/zinc/37/41/75/948374175.db2.gz AAPLWAHPHBFRDY-UHFFFAOYSA-N -1 1 393.451 1.718 20 0 GDADMM O=C(c1cccc(NCc2ccnc(-c3nn[n-]n3)c2)c1)N1CCC(CO)CC1 ZINC000826474096 948374183 /nfs/dbraw/zinc/37/41/83/948374183.db2.gz AAPLWAHPHBFRDY-UHFFFAOYSA-N -1 1 393.451 1.718 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1)C1CCC1 ZINC001573708687 948454931 /nfs/dbraw/zinc/45/49/31/948454931.db2.gz XEUZAFJTDLZKQO-GXTWGEPZSA-N -1 1 390.513 1.681 20 0 GDADMM C[C@@H](C(=O)NCC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001573714295 948470496 /nfs/dbraw/zinc/47/04/96/948470496.db2.gz FLLWRIZKYXMACP-KBPBESRZSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](C(=O)NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1)c1ccsc1 ZINC001573717063 948504367 /nfs/dbraw/zinc/50/43/67/948504367.db2.gz BDDRLFUAEMTDPJ-LLVKDONJSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1cncc(-c2nnn[n-]2)n1)c1ccc(Cl)cc1 ZINC001573718715 948519380 /nfs/dbraw/zinc/51/93/80/948519380.db2.gz JLEIYHUURZAYEF-LLVKDONJSA-N -1 1 386.847 1.666 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1cncc(-c2nn[n-]n2)n1)c1ccc(Cl)cc1 ZINC001573718715 948519387 /nfs/dbraw/zinc/51/93/87/948519387.db2.gz JLEIYHUURZAYEF-LLVKDONJSA-N -1 1 386.847 1.666 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1snc(Cl)c1-c1nnn[n-]1)c1ccco1 ZINC001573721020 948537304 /nfs/dbraw/zinc/53/73/04/948537304.db2.gz UWUPSQFIOZPYTR-QMMMGPOBSA-N -1 1 381.849 1.926 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1snc(Cl)c1-c1nn[n-]n1)c1ccco1 ZINC001573721020 948537311 /nfs/dbraw/zinc/53/73/11/948537311.db2.gz UWUPSQFIOZPYTR-QMMMGPOBSA-N -1 1 381.849 1.926 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1nccnc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC001573721302 948539722 /nfs/dbraw/zinc/53/97/22/948539722.db2.gz WTXHSVSVZNSKGR-LLVKDONJSA-N -1 1 386.847 1.666 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1nccnc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC001573721302 948539725 /nfs/dbraw/zinc/53/97/25/948539725.db2.gz WTXHSVSVZNSKGR-LLVKDONJSA-N -1 1 386.847 1.666 20 0 GDADMM C[C@@H](C(=O)NCc1ccccc1CN(C)c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001573729152 948568221 /nfs/dbraw/zinc/56/82/21/948568221.db2.gz HTDRITNZMVAAAJ-CYBMUJFWSA-N -1 1 392.467 1.955 20 0 GDADMM C[C@@H](C(=O)NCc1ccccc1CN(C)c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001573729152 948568231 /nfs/dbraw/zinc/56/82/31/948568231.db2.gz HTDRITNZMVAAAJ-CYBMUJFWSA-N -1 1 392.467 1.955 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cccs1 ZINC001573729737 948571718 /nfs/dbraw/zinc/57/17/18/948571718.db2.gz JYWSOQFNHLQVTK-IJLUTSLNSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573729737 948571724 /nfs/dbraw/zinc/57/17/24/948571724.db2.gz JYWSOQFNHLQVTK-IJLUTSLNSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C)C(F)(F)F ZINC001573729865 948573632 /nfs/dbraw/zinc/57/36/32/948573632.db2.gz VOBCWXMHADZVKC-KXUCPTDWSA-N -1 1 384.366 1.044 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C)c1cccs1 ZINC001573740505 948636019 /nfs/dbraw/zinc/63/60/19/948636019.db2.gz KDNSLLAJQGHVRQ-NQBHXWOUSA-N -1 1 384.469 1.463 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C)c1cccs1 ZINC001573740505 948636022 /nfs/dbraw/zinc/63/60/22/948636022.db2.gz KDNSLLAJQGHVRQ-NQBHXWOUSA-N -1 1 384.469 1.463 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1)c1ccsc1 ZINC001573746366 948681254 /nfs/dbraw/zinc/68/12/54/948681254.db2.gz JBIQBYBJRWKVLZ-NQBHXWOUSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1)c1ccsc1 ZINC001573746366 948681263 /nfs/dbraw/zinc/68/12/63/948681263.db2.gz JBIQBYBJRWKVLZ-NQBHXWOUSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573751543 948703222 /nfs/dbraw/zinc/70/32/22/948703222.db2.gz BDVVTDDJVSRINV-ATGSNQNLSA-N -1 1 382.472 1.709 20 0 GDADMM CC(C)[C@H](F)C(=O)N1CCC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574075162 948745245 /nfs/dbraw/zinc/74/52/45/948745245.db2.gz VSOOPGGKCHSANA-WFASDCNBSA-N -1 1 376.440 1.691 20 0 GDADMM CC(C)[C@H](F)C(=O)N1CCC[C@@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574075162 948745252 /nfs/dbraw/zinc/74/52/52/948745252.db2.gz VSOOPGGKCHSANA-WFASDCNBSA-N -1 1 376.440 1.691 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)C1(c2ccccc2)CC1 ZINC001574678407 948748015 /nfs/dbraw/zinc/74/80/15/948748015.db2.gz FNHVXVWJLSRMCX-ZDUSSCGKSA-N -1 1 378.440 1.695 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)C1(c2ccccc2)CC1 ZINC001574678407 948748022 /nfs/dbraw/zinc/74/80/22/948748022.db2.gz FNHVXVWJLSRMCX-ZDUSSCGKSA-N -1 1 378.440 1.695 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccc(C(F)F)nc1 ZINC001574678383 948750101 /nfs/dbraw/zinc/75/01/01/948750101.db2.gz FATYSYLNCTYSKZ-VIFPVBQESA-N -1 1 389.370 1.610 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccc(C(F)F)nc1 ZINC001574678383 948750107 /nfs/dbraw/zinc/75/01/07/948750107.db2.gz FATYSYLNCTYSKZ-VIFPVBQESA-N -1 1 389.370 1.610 20 0 GDADMM CC(C)c1cccc(C(=O)NC[C@H](C)N(C)c2ccnc(-c3nn[n-]n3)n2)n1 ZINC001574416730 948758618 /nfs/dbraw/zinc/75/86/18/948758618.db2.gz FPRXJXGRYCZQOB-LBPRGKRZSA-N -1 1 381.444 1.430 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccc(C2CC2)cn1 ZINC001574678850 948760832 /nfs/dbraw/zinc/76/08/32/948760832.db2.gz KDYKNFPPGYZVSX-LLVKDONJSA-N -1 1 379.428 1.550 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccc(C2CC2)cn1 ZINC001574678850 948760847 /nfs/dbraw/zinc/76/08/47/948760847.db2.gz KDYKNFPPGYZVSX-LLVKDONJSA-N -1 1 379.428 1.550 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@H]2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001575223363 948764490 /nfs/dbraw/zinc/76/44/90/948764490.db2.gz OFQVSUVKQNPXQN-AOOOYVTPSA-N -1 1 378.387 1.399 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@H]2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001575223363 948764494 /nfs/dbraw/zinc/76/44/94/948764494.db2.gz OFQVSUVKQNPXQN-AOOOYVTPSA-N -1 1 378.387 1.399 20 0 GDADMM CC(F)(F)CC(=O)N[C@@]12CCC[C@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001575223483 948766822 /nfs/dbraw/zinc/76/68/22/948766822.db2.gz BYWXUNOHGSBPHW-BDJLRTHQSA-N -1 1 378.387 1.320 20 0 GDADMM CC(F)(F)CC(=O)N[C@@]12CCC[C@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001575223483 948766835 /nfs/dbraw/zinc/76/68/35/948766835.db2.gz BYWXUNOHGSBPHW-BDJLRTHQSA-N -1 1 378.387 1.320 20 0 GDADMM CC(C)[C@H](F)C(=O)NCC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C ZINC001574079739 948780296 /nfs/dbraw/zinc/78/02/96/948780296.db2.gz GPQUHYMOOBHFNK-JMSVASOKSA-N -1 1 376.440 1.229 20 0 GDADMM CC(C)[C@H](F)C(=O)NCC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C ZINC001574079739 948780310 /nfs/dbraw/zinc/78/03/10/948780310.db2.gz GPQUHYMOOBHFNK-JMSVASOKSA-N -1 1 376.440 1.229 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575224318 948780716 /nfs/dbraw/zinc/78/07/16/948780716.db2.gz TWRKZUSKAWTLKJ-LLVKDONJSA-N -1 1 392.414 1.307 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)c1 ZINC001574418628 948781057 /nfs/dbraw/zinc/78/10/57/948781057.db2.gz ZDQYGDVXBWWYKN-HNNXBMFYSA-N -1 1 378.440 1.789 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)c1 ZINC001574418628 948781062 /nfs/dbraw/zinc/78/10/62/948781062.db2.gz ZDQYGDVXBWWYKN-HNNXBMFYSA-N -1 1 378.440 1.789 20 0 GDADMM CC(F)(F)CC(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C12CCC2 ZINC001575224255 948782443 /nfs/dbraw/zinc/78/24/43/948782443.db2.gz KZNDZRWHYZGMNH-MNOVXSKESA-N -1 1 378.387 1.541 20 0 GDADMM CC(F)(F)CC(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C12CCC2 ZINC001575224255 948782455 /nfs/dbraw/zinc/78/24/55/948782455.db2.gz KZNDZRWHYZGMNH-MNOVXSKESA-N -1 1 378.387 1.541 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)COc1ccccc1F ZINC001574679512 948785018 /nfs/dbraw/zinc/78/50/18/948785018.db2.gz WPHSDZHAEKRUGV-LLVKDONJSA-N -1 1 386.391 1.182 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)COc1ccccc1F ZINC001574679512 948785028 /nfs/dbraw/zinc/78/50/28/948785028.db2.gz WPHSDZHAEKRUGV-LLVKDONJSA-N -1 1 386.391 1.182 20 0 GDADMM CC(C)c1ccccc1C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574419839 948789624 /nfs/dbraw/zinc/78/96/24/948789624.db2.gz KKLKHBHJKRITFA-CYBMUJFWSA-N -1 1 378.440 1.789 20 0 GDADMM CC(C)c1ccccc1C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574419839 948789632 /nfs/dbraw/zinc/78/96/32/948789632.db2.gz KKLKHBHJKRITFA-CYBMUJFWSA-N -1 1 378.440 1.789 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H](C)c1ccccc1F ZINC001574679616 948789736 /nfs/dbraw/zinc/78/97/36/948789736.db2.gz YTIFRKLUOGNONO-RYUDHWBXSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)c1ccccc1F ZINC001574679616 948789751 /nfs/dbraw/zinc/78/97/51/948789751.db2.gz YTIFRKLUOGNONO-RYUDHWBXSA-N -1 1 384.419 1.906 20 0 GDADMM CC(F)(F)CC(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C12CCC2 ZINC001575225155 948799743 /nfs/dbraw/zinc/79/97/43/948799743.db2.gz XFUWRKKRVPCGQE-VHSXEESVSA-N -1 1 378.387 1.541 20 0 GDADMM CC(F)(F)CC(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C12CCC2 ZINC001575225155 948799756 /nfs/dbraw/zinc/79/97/56/948799756.db2.gz XFUWRKKRVPCGQE-VHSXEESVSA-N -1 1 378.387 1.541 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[C@H]1CCC(C)(C)CO1 ZINC001574680496 948802578 /nfs/dbraw/zinc/80/25/78/948802578.db2.gz HNODHQFXDHYVNM-CHWSQXEVSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[C@H]1CCC(C)(C)CO1 ZINC001574680496 948802595 /nfs/dbraw/zinc/80/25/95/948802595.db2.gz HNODHQFXDHYVNM-CHWSQXEVSA-N -1 1 388.476 1.559 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001575226214 948812568 /nfs/dbraw/zinc/81/25/68/948812568.db2.gz JGBWCOXNIMTUHN-QGZVFWFLSA-N -1 1 392.414 1.521 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001575226214 948812586 /nfs/dbraw/zinc/81/25/86/948812586.db2.gz JGBWCOXNIMTUHN-QGZVFWFLSA-N -1 1 392.414 1.521 20 0 GDADMM CC(C)c1ccoc1C(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574421297 948814345 /nfs/dbraw/zinc/81/43/45/948814345.db2.gz IMACBHYNPKDPNA-UHFFFAOYSA-N -1 1 384.444 1.972 20 0 GDADMM CC(C)c1ccoc1C(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574421297 948814369 /nfs/dbraw/zinc/81/43/69/948814369.db2.gz IMACBHYNPKDPNA-UHFFFAOYSA-N -1 1 384.444 1.972 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)CC2)CC1 ZINC001575226956 948822766 /nfs/dbraw/zinc/82/27/66/948822766.db2.gz QFIPGWYTFDTAHV-XYPYZODXSA-N -1 1 392.414 1.931 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)CC2)CC1 ZINC001575226956 948822781 /nfs/dbraw/zinc/82/27/81/948822781.db2.gz QFIPGWYTFDTAHV-XYPYZODXSA-N -1 1 392.414 1.931 20 0 GDADMM CC(C)[C@@H](F)C(=O)NCC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001574081394 948826518 /nfs/dbraw/zinc/82/65/18/948826518.db2.gz SMRBPGSMNGFCSP-LALPHHSUSA-N -1 1 376.440 1.229 20 0 GDADMM CC(C)[C@@H](F)C(=O)NCC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001574081394 948826535 /nfs/dbraw/zinc/82/65/35/948826535.db2.gz SMRBPGSMNGFCSP-LALPHHSUSA-N -1 1 376.440 1.229 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1)C(F)F ZINC001573761120 948836525 /nfs/dbraw/zinc/83/65/25/948836525.db2.gz CPVYPLJHHUKDIP-SNVBAGLBSA-N -1 1 380.403 1.599 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1)C(F)F ZINC001573761120 948836547 /nfs/dbraw/zinc/83/65/47/948836547.db2.gz CPVYPLJHHUKDIP-SNVBAGLBSA-N -1 1 380.403 1.599 20 0 GDADMM CC(C)[C@H](F)C(=O)NC[C@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001574081603 948838174 /nfs/dbraw/zinc/83/81/74/948838174.db2.gz VEBUATPFHXMHMV-QIIPPGSGSA-N -1 1 388.451 1.516 20 0 GDADMM CC(C)[C@H](F)C(=O)NC[C@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001574081603 948838187 /nfs/dbraw/zinc/83/81/87/948838187.db2.gz VEBUATPFHXMHMV-QIIPPGSGSA-N -1 1 388.451 1.516 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCOc1ccccc1 ZINC001574683353 948850132 /nfs/dbraw/zinc/85/01/32/948850132.db2.gz YFYWMANOGBYCSD-ZDUSSCGKSA-N -1 1 382.428 1.433 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCOc1ccccc1 ZINC001574683353 948850150 /nfs/dbraw/zinc/85/01/50/948850150.db2.gz YFYWMANOGBYCSD-ZDUSSCGKSA-N -1 1 382.428 1.433 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)Cc1cc[nH]n1 ZINC001574684035 948856093 /nfs/dbraw/zinc/85/60/93/948856093.db2.gz AKHDJGKRHLKKQW-ZETCQYMHSA-N -1 1 381.853 1.249 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)Cc1cc[nH]n1 ZINC001574684035 948856113 /nfs/dbraw/zinc/85/61/13/948856113.db2.gz AKHDJGKRHLKKQW-ZETCQYMHSA-N -1 1 381.853 1.249 20 0 GDADMM C[C@H](CNC(=O)CCCc1cccs1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574918838 948865042 /nfs/dbraw/zinc/86/50/42/948865042.db2.gz RIZOWGHUNZUOEK-LBPRGKRZSA-N -1 1 386.485 1.905 20 0 GDADMM C[C@H](CNC(=O)CCCc1cccs1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574918838 948865059 /nfs/dbraw/zinc/86/50/59/948865059.db2.gz RIZOWGHUNZUOEK-LBPRGKRZSA-N -1 1 386.485 1.905 20 0 GDADMM CC(C)(C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)C(F)F ZINC001573763158 948866797 /nfs/dbraw/zinc/86/67/97/948866797.db2.gz CCCGNYLNJNBQOT-MNOVXSKESA-N -1 1 392.414 1.518 20 0 GDADMM CC(C)(C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)C(F)F ZINC001573763158 948866810 /nfs/dbraw/zinc/86/68/10/948866810.db2.gz CCCGNYLNJNBQOT-MNOVXSKESA-N -1 1 392.414 1.518 20 0 GDADMM C[C@@H](CNC(=O)CCCc1ccccn1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574919022 948867077 /nfs/dbraw/zinc/86/70/77/948867077.db2.gz UIZXTLVMGRTNNL-ZDUSSCGKSA-N -1 1 381.444 1.016 20 0 GDADMM C[C@@H](CNC(=O)CCCc1ccccn1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574919022 948867090 /nfs/dbraw/zinc/86/70/90/948867090.db2.gz UIZXTLVMGRTNNL-ZDUSSCGKSA-N -1 1 381.444 1.016 20 0 GDADMM C[C@H](CNC(=O)CCCc1ccccn1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574919021 948868988 /nfs/dbraw/zinc/86/89/88/948868988.db2.gz UIZXTLVMGRTNNL-CYBMUJFWSA-N -1 1 381.444 1.016 20 0 GDADMM C[C@H](CNC(=O)CCCc1ccccn1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574919021 948869008 /nfs/dbraw/zinc/86/90/08/948869008.db2.gz UIZXTLVMGRTNNL-CYBMUJFWSA-N -1 1 381.444 1.016 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C1 ZINC001575232543 948877778 /nfs/dbraw/zinc/87/77/78/948877778.db2.gz FALRGYUXGLEIBG-SDDRHHMPSA-N -1 1 392.414 1.423 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C1 ZINC001575232543 948877790 /nfs/dbraw/zinc/87/77/90/948877790.db2.gz FALRGYUXGLEIBG-SDDRHHMPSA-N -1 1 392.414 1.423 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CCCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001575233473 948881771 /nfs/dbraw/zinc/88/17/71/948881771.db2.gz JELZVDJREILDFS-GHMZBOCLSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001575233473 948881790 /nfs/dbraw/zinc/88/17/90/948881790.db2.gz JELZVDJREILDFS-GHMZBOCLSA-N -1 1 380.403 1.789 20 0 GDADMM CC(C)c1nc(C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cs1 ZINC001574425753 948882658 /nfs/dbraw/zinc/88/26/58/948882658.db2.gz MUOFLLXHBZYMBL-MGCOHNPYSA-N -1 1 385.457 1.031 20 0 GDADMM CC(C)[C@]1(C)C[C@@H]1C(=O)N(C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574083826 948893585 /nfs/dbraw/zinc/89/35/85/948893585.db2.gz YQGPOXXNUDSZAI-KUHUBIRLSA-N -1 1 384.488 1.766 20 0 GDADMM CC(C)[C@]1(C)C[C@@H]1C(=O)N(C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574083826 948893594 /nfs/dbraw/zinc/89/35/94/948893594.db2.gz YQGPOXXNUDSZAI-KUHUBIRLSA-N -1 1 384.488 1.766 20 0 GDADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)C1=COCCO1 ZINC001574684921 948897013 /nfs/dbraw/zinc/89/70/13/948897013.db2.gz PEGZTFKYRAGQEU-ZETCQYMHSA-N -1 1 385.837 1.172 20 0 GDADMM CC(C)(C(=O)N1CC[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1)C1CC1 ZINC001573765211 948901619 /nfs/dbraw/zinc/90/16/19/948901619.db2.gz WSRBTUYIFAEIOX-IBGZPJMESA-N -1 1 382.472 1.522 20 0 GDADMM CC(C)(C(=O)N1CC[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1)C1CC1 ZINC001573765211 948901630 /nfs/dbraw/zinc/90/16/30/948901630.db2.gz WSRBTUYIFAEIOX-IBGZPJMESA-N -1 1 382.472 1.522 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H]2[C@H](CCN2c2cnc(-c3nnn[n-]3)cn2)C1)C(F)F ZINC001573765199 948902810 /nfs/dbraw/zinc/90/28/10/948902810.db2.gz WFIGZNBDGWLBID-ZYHUDNBSSA-N -1 1 392.414 1.375 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H]2[C@H](CCN2c2cnc(-c3nn[n-]n3)cn2)C1)C(F)F ZINC001573765199 948902823 /nfs/dbraw/zinc/90/28/23/948902823.db2.gz WFIGZNBDGWLBID-ZYHUDNBSSA-N -1 1 392.414 1.375 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)c1cncn1C ZINC001574685206 948903180 /nfs/dbraw/zinc/90/31/80/948903180.db2.gz SSHBMWUZOVXYPO-SSDOTTSWSA-N -1 1 381.853 1.331 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)c1cncn1C ZINC001574685206 948903190 /nfs/dbraw/zinc/90/31/90/948903190.db2.gz SSHBMWUZOVXYPO-SSDOTTSWSA-N -1 1 381.853 1.331 20 0 GDADMM CC(C)[C@]1(C)C[C@H]1C(=O)NCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574088023 948906078 /nfs/dbraw/zinc/90/60/78/948906078.db2.gz CVZXBLZFAUQQHQ-LIRRHRJNSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)[C@]1(C)C[C@H]1C(=O)NCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574088023 948906088 /nfs/dbraw/zinc/90/60/88/948906088.db2.gz CVZXBLZFAUQQHQ-LIRRHRJNSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)(C(=O)N1CCCO[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)C1CC1 ZINC001573765503 948912032 /nfs/dbraw/zinc/91/20/32/948912032.db2.gz LBDIRLUREZUTEJ-ZDUSSCGKSA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)(C(=O)N1CCCO[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001573765503 948912038 /nfs/dbraw/zinc/91/20/38/948912038.db2.gz LBDIRLUREZUTEJ-ZDUSSCGKSA-N -1 1 386.460 1.122 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001575235504 948918330 /nfs/dbraw/zinc/91/83/30/948918330.db2.gz NAMRKMLKXHZEKA-NEPJUHHUSA-N -1 1 392.414 1.662 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001575235504 948918346 /nfs/dbraw/zinc/91/83/46/948918346.db2.gz NAMRKMLKXHZEKA-NEPJUHHUSA-N -1 1 392.414 1.662 20 0 GDADMM CC(C)[C@H]1C[C@H](C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CCO1 ZINC001574088334 948918929 /nfs/dbraw/zinc/91/89/29/948918929.db2.gz AXFIHDFAPMQEKF-GUIRCDHDSA-N -1 1 386.460 1.167 20 0 GDADMM CC(C)[C@H]1C[C@H](C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CCO1 ZINC001574088334 948918947 /nfs/dbraw/zinc/91/89/47/948918947.db2.gz AXFIHDFAPMQEKF-GUIRCDHDSA-N -1 1 386.460 1.167 20 0 GDADMM CC(F)(F)CCC(=O)N1CCCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001575235557 948922954 /nfs/dbraw/zinc/92/29/54/948922954.db2.gz ORVJIHIEGBYCDS-LLVKDONJSA-N -1 1 380.403 1.885 20 0 GDADMM CC(F)(F)CCC(=O)N1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001575235557 948922963 /nfs/dbraw/zinc/92/29/63/948922963.db2.gz ORVJIHIEGBYCDS-LLVKDONJSA-N -1 1 380.403 1.885 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1)C1CCC1 ZINC001573765773 948923731 /nfs/dbraw/zinc/92/37/31/948923731.db2.gz FMGYYHJYVALEPT-BETUJISGSA-N -1 1 382.472 1.378 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1)C1CCC1 ZINC001573765773 948923739 /nfs/dbraw/zinc/92/37/39/948923739.db2.gz FMGYYHJYVALEPT-BETUJISGSA-N -1 1 382.472 1.378 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@](C)(CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001575235804 948928173 /nfs/dbraw/zinc/92/81/73/948928173.db2.gz QUKGGFBCXVFQDV-HNNXBMFYSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@](C)(CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001575235804 948928184 /nfs/dbraw/zinc/92/81/84/948928184.db2.gz QUKGGFBCXVFQDV-HNNXBMFYSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CCC(=O)N1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C(C)(C)C1 ZINC001575235853 948929624 /nfs/dbraw/zinc/92/96/24/948929624.db2.gz RUZQJKOUJHQIMQ-LLVKDONJSA-N -1 1 380.403 1.741 20 0 GDADMM CC(F)(F)CCC(=O)N1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C(C)(C)C1 ZINC001575235853 948929638 /nfs/dbraw/zinc/92/96/38/948929638.db2.gz RUZQJKOUJHQIMQ-LLVKDONJSA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1)C(F)F ZINC001573765930 948930546 /nfs/dbraw/zinc/93/05/46/948930546.db2.gz QTETUDOSDNGDMP-MNOVXSKESA-N -1 1 392.414 1.233 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1)C(F)F ZINC001573765930 948930551 /nfs/dbraw/zinc/93/05/51/948930551.db2.gz QTETUDOSDNGDMP-MNOVXSKESA-N -1 1 392.414 1.233 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)N1CCC(CN(C)c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574088683 948932800 /nfs/dbraw/zinc/93/28/00/948932800.db2.gz CBDVRQHAHBHSSV-LSDHHAIUSA-N -1 1 384.488 1.624 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)N1CCC(CN(C)c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574088683 948932813 /nfs/dbraw/zinc/93/28/13/948932813.db2.gz CBDVRQHAHBHSSV-LSDHHAIUSA-N -1 1 384.488 1.624 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001573771185 948936521 /nfs/dbraw/zinc/93/65/21/948936521.db2.gz CSQRKOLFOSQUHV-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573771185 948936531 /nfs/dbraw/zinc/93/65/31/948936531.db2.gz CSQRKOLFOSQUHV-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](CNC(=O)CCn1ccnc1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574923193 948937427 /nfs/dbraw/zinc/93/74/27/948937427.db2.gz HCOZFHINUZTZIC-MRVPVSSYSA-N -1 1 381.853 1.180 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001575236232 948937748 /nfs/dbraw/zinc/93/77/48/948937748.db2.gz YNGDXXAXULIBBT-LLVKDONJSA-N -1 1 380.403 1.743 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001575236232 948937765 /nfs/dbraw/zinc/93/77/65/948937765.db2.gz YNGDXXAXULIBBT-LLVKDONJSA-N -1 1 380.403 1.743 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N[C@@H](C)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574432719 948938744 /nfs/dbraw/zinc/93/87/44/948938744.db2.gz BYMGHJBCSZNOOM-MNOVXSKESA-N -1 1 384.448 1.133 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N[C@@H](C)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574432719 948938753 /nfs/dbraw/zinc/93/87/53/948938753.db2.gz BYMGHJBCSZNOOM-MNOVXSKESA-N -1 1 384.448 1.133 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2 ZINC001575236877 948941436 /nfs/dbraw/zinc/94/14/36/948941436.db2.gz AVAIKGPKMMHBFV-NWDGAFQWSA-N -1 1 392.414 1.931 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2 ZINC001575236877 948941446 /nfs/dbraw/zinc/94/14/46/948941446.db2.gz AVAIKGPKMMHBFV-NWDGAFQWSA-N -1 1 392.414 1.931 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575239936 948966916 /nfs/dbraw/zinc/96/69/16/948966916.db2.gz YFVSDKVJRXKBNJ-LLVKDONJSA-N -1 1 380.403 1.567 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575239936 948966927 /nfs/dbraw/zinc/96/69/27/948966927.db2.gz YFVSDKVJRXKBNJ-LLVKDONJSA-N -1 1 380.403 1.567 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001575239885 948967541 /nfs/dbraw/zinc/96/75/41/948967541.db2.gz XLPSTGYKNBRHJC-SRVKXCTJSA-N -1 1 392.414 1.566 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001575239885 948967558 /nfs/dbraw/zinc/96/75/58/948967558.db2.gz XLPSTGYKNBRHJC-SRVKXCTJSA-N -1 1 392.414 1.566 20 0 GDADMM CC(C)c1ncsc1C(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574433919 948971271 /nfs/dbraw/zinc/97/12/71/948971271.db2.gz VYFXWHMCFJKGLH-GHMZBOCLSA-N -1 1 399.484 1.809 20 0 GDADMM CC(C)c1ncsc1C(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574433919 948971283 /nfs/dbraw/zinc/97/12/83/948971283.db2.gz VYFXWHMCFJKGLH-GHMZBOCLSA-N -1 1 399.484 1.809 20 0 GDADMM CC(C)[C@H]1C[C@H](CC(=O)NCCN(C)c2cnc(-c3nnn[n-]3)cn2)CCO1 ZINC001574090043 948975981 /nfs/dbraw/zinc/97/59/81/948975981.db2.gz HMNVQMWELXVDNZ-UKRRQHHQSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)[C@H]1C[C@H](CC(=O)NCCN(C)c2cnc(-c3nn[n-]n3)cn2)CCO1 ZINC001574090043 948975991 /nfs/dbraw/zinc/97/59/91/948975991.db2.gz HMNVQMWELXVDNZ-UKRRQHHQSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)C1(C(F)(F)F)CCC1 ZINC001574689491 948983320 /nfs/dbraw/zinc/98/33/20/948983320.db2.gz GYDGGADHJSPBAB-SECBINFHSA-N -1 1 384.366 1.696 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)C1(C(F)(F)F)CCC1 ZINC001574689491 948983331 /nfs/dbraw/zinc/98/33/31/948983331.db2.gz GYDGGADHJSPBAB-SECBINFHSA-N -1 1 384.366 1.696 20 0 GDADMM CC(C)(C(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1)C(F)(F)F ZINC001573774070 948998698 /nfs/dbraw/zinc/99/86/98/948998698.db2.gz JQUVWZDMTNECOZ-SNVBAGLBSA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)(C(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1)C(F)(F)F ZINC001573774070 948998708 /nfs/dbraw/zinc/99/87/08/948998708.db2.gz JQUVWZDMTNECOZ-SNVBAGLBSA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)c1noc(CCNC(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)n1 ZINC001574439231 949002222 /nfs/dbraw/zinc/00/22/22/949002222.db2.gz DCPUURVGCWPORG-UHFFFAOYSA-N -1 1 383.825 1.847 20 0 GDADMM CC(C)(C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nn1)C1CCCCC1 ZINC001573774466 949007017 /nfs/dbraw/zinc/00/70/17/949007017.db2.gz SACYHZIDCARJLA-CYBMUJFWSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)(C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nn1)C1CCCCC1 ZINC001573774466 949007034 /nfs/dbraw/zinc/00/70/34/949007034.db2.gz SACYHZIDCARJLA-CYBMUJFWSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCOCC1 ZINC001574091436 949017195 /nfs/dbraw/zinc/01/71/95/949017195.db2.gz NBSVABFTNBRMSZ-OLZOCXBDSA-N -1 1 386.460 1.026 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCOCC1 ZINC001574091436 949017216 /nfs/dbraw/zinc/01/72/16/949017216.db2.gz NBSVABFTNBRMSZ-OLZOCXBDSA-N -1 1 386.460 1.026 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)NCC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574091764 949029898 /nfs/dbraw/zinc/02/98/98/949029898.db2.gz OMCXFFKOQHIBBY-KBPBESRZSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)NCC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574091764 949029916 /nfs/dbraw/zinc/02/99/16/949029916.db2.gz OMCXFFKOQHIBBY-KBPBESRZSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)Cc1cnoc1 ZINC001574694333 949073964 /nfs/dbraw/zinc/07/39/64/949073964.db2.gz NTAZYPPMLOFVRM-ZETCQYMHSA-N -1 1 382.837 1.514 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)Cc1cnoc1 ZINC001574694333 949073983 /nfs/dbraw/zinc/07/39/83/949073983.db2.gz NTAZYPPMLOFVRM-ZETCQYMHSA-N -1 1 382.837 1.514 20 0 GDADMM CC(C)c1nocc1C(=O)N1C[C@@H](C)[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574442101 949092682 /nfs/dbraw/zinc/09/26/82/949092682.db2.gz KQTXUWKZUUBYSK-PWSUYJOCSA-N -1 1 383.416 1.341 20 0 GDADMM CC(C)c1nocc1C(=O)N1C[C@@H](C)[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574442101 949092702 /nfs/dbraw/zinc/09/27/02/949092702.db2.gz KQTXUWKZUUBYSK-PWSUYJOCSA-N -1 1 383.416 1.341 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001574442473 949099318 /nfs/dbraw/zinc/09/93/18/949099318.db2.gz PTOUFHQBDIUZGZ-NSHDSACASA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001574442473 949099338 /nfs/dbraw/zinc/09/93/38/949099338.db2.gz PTOUFHQBDIUZGZ-NSHDSACASA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)(C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001573781035 949099372 /nfs/dbraw/zinc/09/93/72/949099372.db2.gz APDBKTGJPXHQMR-OTVXOJSOSA-N -1 1 392.467 1.363 20 0 GDADMM CC(C)c1nocc1C(=O)N1C[C@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574442712 949100629 /nfs/dbraw/zinc/10/06/29/949100629.db2.gz RPANUDYDENKGMA-GXFFZTMASA-N -1 1 383.416 1.341 20 0 GDADMM CC(C)c1nocc1C(=O)N1C[C@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574442712 949100644 /nfs/dbraw/zinc/10/06/44/949100644.db2.gz RPANUDYDENKGMA-GXFFZTMASA-N -1 1 383.416 1.341 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1sccc1Cl ZINC001574695469 949110987 /nfs/dbraw/zinc/11/09/87/949110987.db2.gz HXMIGGRWKRQABZ-MRVPVSSYSA-N -1 1 378.849 1.992 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1sccc1Cl ZINC001574695469 949111001 /nfs/dbraw/zinc/11/10/01/949111001.db2.gz HXMIGGRWKRQABZ-MRVPVSSYSA-N -1 1 378.849 1.992 20 0 GDADMM CC(C)c1occc1C(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574445795 949114834 /nfs/dbraw/zinc/11/48/34/949114834.db2.gz DCSRYSXSRYNSFZ-HAQNSBGRSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1occc1C(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574445795 949114846 /nfs/dbraw/zinc/11/48/46/949114846.db2.gz DCSRYSXSRYNSFZ-HAQNSBGRSA-N -1 1 382.428 1.994 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)Cc1ccc2c(c1)CCC2 ZINC001574695614 949114756 /nfs/dbraw/zinc/11/47/56/949114756.db2.gz JDQUVHFIFQATAT-ZDUSSCGKSA-N -1 1 392.467 1.695 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)Cc1ccc2c(c1)CCC2 ZINC001574695614 949114771 /nfs/dbraw/zinc/11/47/71/949114771.db2.gz JDQUVHFIFQATAT-ZDUSSCGKSA-N -1 1 392.467 1.695 20 0 GDADMM CC(C)(C(=O)NCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1)C1CCCC1 ZINC001573782310 949119043 /nfs/dbraw/zinc/11/90/43/949119043.db2.gz QZAGXQSMGWFBGP-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)NCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1)C1CCCC1 ZINC001573782310 949119055 /nfs/dbraw/zinc/11/90/55/949119055.db2.gz QZAGXQSMGWFBGP-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)c1occc1C(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574446076 949120059 /nfs/dbraw/zinc/12/00/59/949120059.db2.gz HRQCOLUWQUGKJV-GFCCVEGCSA-N -1 1 382.428 1.629 20 0 GDADMM CC(C)c1occc1C(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574446076 949120075 /nfs/dbraw/zinc/12/00/75/949120075.db2.gz HRQCOLUWQUGKJV-GFCCVEGCSA-N -1 1 382.428 1.629 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)Cc1ccc(Cl)cc1 ZINC001574696013 949120390 /nfs/dbraw/zinc/12/03/90/949120390.db2.gz LUBAJCMCTCBDMV-LLVKDONJSA-N -1 1 386.847 1.860 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)Cc1ccc(Cl)cc1 ZINC001574696013 949120405 /nfs/dbraw/zinc/12/04/05/949120405.db2.gz LUBAJCMCTCBDMV-LLVKDONJSA-N -1 1 386.847 1.860 20 0 GDADMM CC(C)C1(O)CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC001574093890 949122162 /nfs/dbraw/zinc/12/21/62/949122162.db2.gz SXNSEUZBZQSTDH-UHFFFAOYSA-N -1 1 385.877 1.692 20 0 GDADMM CC(C)(C(=O)NCC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)C1CCC1 ZINC001573782769 949135231 /nfs/dbraw/zinc/13/52/31/949135231.db2.gz YFARQXQYTVJDMS-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C(=O)NCC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573782769 949135243 /nfs/dbraw/zinc/13/52/43/949135243.db2.gz YFARQXQYTVJDMS-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccc2c(c1)COC2 ZINC001574696799 949140766 /nfs/dbraw/zinc/14/07/66/949140766.db2.gz UQBBYYKHSISTCD-NSHDSACASA-N -1 1 380.412 1.307 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccc2c(c1)COC2 ZINC001574696799 949140783 /nfs/dbraw/zinc/14/07/83/949140783.db2.gz UQBBYYKHSISTCD-NSHDSACASA-N -1 1 380.412 1.307 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H](C)Oc1ccccc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574697499 949155196 /nfs/dbraw/zinc/15/51/96/949155196.db2.gz AJXNCOJAKJECML-STQMWFEESA-N -1 1 382.428 1.383 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H](C)Oc1ccccc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574697499 949155211 /nfs/dbraw/zinc/15/52/11/949155211.db2.gz AJXNCOJAKJECML-STQMWFEESA-N -1 1 382.428 1.383 20 0 GDADMM C[C@@H](CNC(=O)COc1ccc(Cl)cc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574934550 949167635 /nfs/dbraw/zinc/16/76/35/949167635.db2.gz KWSALJNIDNHBPQ-JTQLQIEISA-N -1 1 388.819 1.306 20 0 GDADMM C[C@@H](CNC(=O)COc1ccc(Cl)cc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574934550 949167646 /nfs/dbraw/zinc/16/76/46/949167646.db2.gz KWSALJNIDNHBPQ-JTQLQIEISA-N -1 1 388.819 1.306 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)C1CCCC1 ZINC001573787224 949171078 /nfs/dbraw/zinc/17/10/78/949171078.db2.gz QVRKKGRAMNIRGK-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573787224 949171092 /nfs/dbraw/zinc/17/10/92/949171092.db2.gz QVRKKGRAMNIRGK-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)[C@H]1CCCCO1 ZINC001573787337 949174284 /nfs/dbraw/zinc/17/42/84/949174284.db2.gz UDQBEFZBMIWPGO-JHJVBQTASA-N -1 1 386.460 1.311 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)[C@H]1CCCCO1 ZINC001573787337 949174296 /nfs/dbraw/zinc/17/42/96/949174296.db2.gz UDQBEFZBMIWPGO-JHJVBQTASA-N -1 1 386.460 1.311 20 0 GDADMM C[C@H](NC(=O)C1(F)CCCC1)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575253487 949189282 /nfs/dbraw/zinc/18/92/82/949189282.db2.gz KDBXCMYKTPJLKF-QWHCGFSZSA-N -1 1 388.451 1.660 20 0 GDADMM C[C@H](NC(=O)C1(F)CCCC1)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575253487 949189292 /nfs/dbraw/zinc/18/92/92/949189292.db2.gz KDBXCMYKTPJLKF-QWHCGFSZSA-N -1 1 388.451 1.660 20 0 GDADMM CC(C)c1oncc1C(=O)N1CC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574449456 949199728 /nfs/dbraw/zinc/19/97/28/949199728.db2.gz SLUFXYRFVJSOKG-LLVKDONJSA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1oncc1C(=O)N1CC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574449456 949199742 /nfs/dbraw/zinc/19/97/42/949199742.db2.gz SLUFXYRFVJSOKG-LLVKDONJSA-N -1 1 383.416 1.119 20 0 GDADMM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2O)C1 ZINC001589603209 949205159 /nfs/dbraw/zinc/20/51/59/949205159.db2.gz JCPVBDQUWCQYCF-KRWDZBQOSA-N -1 1 384.454 1.360 20 0 GDADMM C[C@@H]1CCC[C@@]1(C)C(=O)NCC1=CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576151255 949214408 /nfs/dbraw/zinc/21/44/08/949214408.db2.gz FJPQOKYRFOUJMY-BFUOFWGJSA-N -1 1 382.472 1.736 20 0 GDADMM C[C@@H]1CCC[C@@]1(C)C(=O)NCC1=CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576151255 949214433 /nfs/dbraw/zinc/21/44/33/949214433.db2.gz FJPQOKYRFOUJMY-BFUOFWGJSA-N -1 1 382.472 1.736 20 0 GDADMM CC(C)c1scnc1C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574451113 949216064 /nfs/dbraw/zinc/21/60/64/949216064.db2.gz CFKFPBGGJRPENS-JTQLQIEISA-N -1 1 385.457 1.563 20 0 GDADMM CC(C)c1scnc1C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574451113 949216087 /nfs/dbraw/zinc/21/60/87/949216087.db2.gz CFKFPBGGJRPENS-JTQLQIEISA-N -1 1 385.457 1.563 20 0 GDADMM CC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)c2cccc(F)c2)CC1 ZINC001575854020 949224550 /nfs/dbraw/zinc/22/45/50/949224550.db2.gz QTHUBCYUFBJNOC-UHFFFAOYSA-N -1 1 382.403 1.325 20 0 GDADMM CC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)C2C=CC=CC=C2)CC1 ZINC001575854004 949225684 /nfs/dbraw/zinc/22/56/84/949225684.db2.gz QDMMBHINJFPNLO-UHFFFAOYSA-N -1 1 378.440 1.748 20 0 GDADMM CC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)C2C=CC=CC=C2)CC1 ZINC001575854004 949225703 /nfs/dbraw/zinc/22/57/03/949225703.db2.gz QDMMBHINJFPNLO-UHFFFAOYSA-N -1 1 378.440 1.748 20 0 GDADMM CC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)C2CCC(F)CC2)CC1 ZINC001575854057 949229225 /nfs/dbraw/zinc/22/92/25/949229225.db2.gz RKUSFBPNQOHBBO-UHFFFAOYSA-N -1 1 388.451 1.978 20 0 GDADMM CC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)C2CCC(F)CC2)CC1 ZINC001575854057 949229244 /nfs/dbraw/zinc/22/92/44/949229244.db2.gz RKUSFBPNQOHBBO-UHFFFAOYSA-N -1 1 388.451 1.978 20 0 GDADMM C[C@H](c1ccccc1F)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1=O ZINC001575517328 949230039 /nfs/dbraw/zinc/23/00/39/949230039.db2.gz VDLXJHHQYXEYTQ-BXUZGUMPSA-N -1 1 382.403 1.382 20 0 GDADMM CC(C)c1scnc1C(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574451523 949233023 /nfs/dbraw/zinc/23/30/23/949233023.db2.gz QVFQTQMDWWRGSN-UHFFFAOYSA-N -1 1 387.473 1.445 20 0 GDADMM CC(C)c1scnc1C(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574451523 949233042 /nfs/dbraw/zinc/23/30/42/949233042.db2.gz QVFQTQMDWWRGSN-UHFFFAOYSA-N -1 1 387.473 1.445 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@@H](Nc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001574451738 949242132 /nfs/dbraw/zinc/24/21/32/949242132.db2.gz WLTJIKPOQBCQSB-GFCCVEGCSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@@H](Nc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001574451738 949242156 /nfs/dbraw/zinc/24/21/56/949242156.db2.gz WLTJIKPOQBCQSB-GFCCVEGCSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)(C)C(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1c1ccc(-c2nnn[n-]2)nn1 ZINC001573792347 949245257 /nfs/dbraw/zinc/24/52/57/949245257.db2.gz OKFYYMIDCLPJLY-XFMPKHEZSA-N -1 1 382.472 1.376 20 0 GDADMM CC(C)(C)C(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1c1ccc(-c2nn[n-]n2)nn1 ZINC001573792347 949245275 /nfs/dbraw/zinc/24/52/75/949245275.db2.gz OKFYYMIDCLPJLY-XFMPKHEZSA-N -1 1 382.472 1.376 20 0 GDADMM CC(C)CC(=O)N1CCCC[C@H]1[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574106065 949264401 /nfs/dbraw/zinc/26/44/01/949264401.db2.gz CZTGYGCMXNODKZ-ZBFHGGJFSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CC(=O)N1CCCC[C@H]1[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574106065 949264423 /nfs/dbraw/zinc/26/44/23/949264423.db2.gz CZTGYGCMXNODKZ-ZBFHGGJFSA-N -1 1 384.488 1.910 20 0 GDADMM CC1(c2ccccc2C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001575857218 949266070 /nfs/dbraw/zinc/26/60/70/949266070.db2.gz PUAVJXBDIQZROJ-ZDUSSCGKSA-N -1 1 390.451 1.717 20 0 GDADMM CC1(c2ccccc2C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575857218 949266088 /nfs/dbraw/zinc/26/60/88/949266088.db2.gz PUAVJXBDIQZROJ-ZDUSSCGKSA-N -1 1 390.451 1.717 20 0 GDADMM C[C@@H](CN(C)C(=O)C1(C2CCCCC2)CC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574702371 949280381 /nfs/dbraw/zinc/28/03/81/949280381.db2.gz HVXHENRVAKZTEI-ZDUSSCGKSA-N -1 1 384.488 1.698 20 0 GDADMM C[C@@H]1CCC[C@H]1CC(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001576153804 949303535 /nfs/dbraw/zinc/30/35/35/949303535.db2.gz BIQWYBVFEFHHCV-BARDWOONSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H]1CCC[C@H]1CC(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001576153804 949303557 /nfs/dbraw/zinc/30/35/57/949303557.db2.gz BIQWYBVFEFHHCV-BARDWOONSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H]1CCC[C@]1(C)C(=O)NCCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001576154149 949314651 /nfs/dbraw/zinc/31/46/51/949314651.db2.gz NTWILOZWMMACCX-DJJJIMSYSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCC[C@]1(C)C(=O)NCCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001576154149 949314675 /nfs/dbraw/zinc/31/46/75/949314675.db2.gz NTWILOZWMMACCX-DJJJIMSYSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(C2CC2)c1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574941818 949320018 /nfs/dbraw/zinc/32/00/18/949320018.db2.gz SZZSLEHSMCVCKV-CYBMUJFWSA-N -1 1 392.467 1.718 20 0 GDADMM CC1=C(C)C[C@H](C(=O)N[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C)CC1 ZINC001575861520 949325312 /nfs/dbraw/zinc/32/53/12/949325312.db2.gz SXLYHFMDPFPGDE-RBSFLKMASA-N -1 1 382.472 1.734 20 0 GDADMM C[C@H]1CCC[C@]1(C)C(=O)N1CCC(N(C)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576154230 949327443 /nfs/dbraw/zinc/32/74/43/949327443.db2.gz OGOJMZWYJAKWGC-DJJJIMSYSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc2c(c1)CCC2)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574942130 949336243 /nfs/dbraw/zinc/33/62/43/949336243.db2.gz VYWFALDXUYKXPH-ZDUSSCGKSA-N -1 1 392.467 1.329 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc2c(c1)CCC2)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574942130 949336260 /nfs/dbraw/zinc/33/62/60/949336260.db2.gz VYWFALDXUYKXPH-ZDUSSCGKSA-N -1 1 392.467 1.329 20 0 GDADMM C[C@H](CN(C)C(=O)C1(Cc2ccccc2)CC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574703796 949351935 /nfs/dbraw/zinc/35/19/35/949351935.db2.gz YIRCVPKQUZGSDV-CQSZACIVSA-N -1 1 392.467 1.938 20 0 GDADMM C[C@H](CN(C)C(=O)C1(Cc2ccccc2)CC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574703796 949351954 /nfs/dbraw/zinc/35/19/54/949351954.db2.gz YIRCVPKQUZGSDV-CQSZACIVSA-N -1 1 392.467 1.938 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1CCCCC1(F)F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574704211 949377852 /nfs/dbraw/zinc/37/78/52/949377852.db2.gz AZFKJJVMZDJSOX-GHMZBOCLSA-N -1 1 380.403 1.163 20 0 GDADMM CC(C)CC(=O)N[C@@H]1[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)[C@@H]2C1(C)C ZINC001574111437 949378657 /nfs/dbraw/zinc/37/86/57/949378657.db2.gz HKINJLGUKHBGNV-VUCTXSBTSA-N -1 1 384.488 1.812 20 0 GDADMM CC(C)CC(=O)N[C@@H]1[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)[C@@H]2C1(C)C ZINC001574111437 949378678 /nfs/dbraw/zinc/37/86/78/949378678.db2.gz HKINJLGUKHBGNV-VUCTXSBTSA-N -1 1 384.488 1.812 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574704492 949386747 /nfs/dbraw/zinc/38/67/47/949386747.db2.gz NLIAKYTVPZZHGE-TTZDDIAXSA-N -1 1 384.488 1.554 20 0 GDADMM CC1(C)CN(C(=O)[C@]2(C)CC=CCC2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575527946 949386878 /nfs/dbraw/zinc/38/68/78/949386878.db2.gz KEDABIQKVACUQF-BFUOFWGJSA-N -1 1 382.472 1.474 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccn[nH]1 ZINC001576155365 949399095 /nfs/dbraw/zinc/39/90/95/949399095.db2.gz INCCSHDMJKLETN-DIFFPNOSSA-N -1 1 382.432 1.171 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccn[nH]1 ZINC001576155365 949399118 /nfs/dbraw/zinc/39/91/18/949399118.db2.gz INCCSHDMJKLETN-DIFFPNOSSA-N -1 1 382.432 1.171 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C(C2CC2)C2CC2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575866130 949400245 /nfs/dbraw/zinc/40/02/45/949400245.db2.gz DDPQHCHLWVUGEV-RISCZKNCSA-N -1 1 382.472 1.566 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C(C2CC2)C2CC2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575866130 949400263 /nfs/dbraw/zinc/40/02/63/949400263.db2.gz DDPQHCHLWVUGEV-RISCZKNCSA-N -1 1 382.472 1.566 20 0 GDADMM C[C@@H]1CCC[C@H](C(=O)NC2(C)CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001576155425 949401883 /nfs/dbraw/zinc/40/18/83/949401883.db2.gz UPYLTXFHVBMWKR-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCC[C@H](C(=O)NC2(C)CCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001576155425 949401901 /nfs/dbraw/zinc/40/19/01/949401901.db2.gz UPYLTXFHVBMWKR-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)n1cnc(C(=O)N(C)CCCN(C)c2nccnc2-c2nnn[n-]2)c1 ZINC001574464325 949408046 /nfs/dbraw/zinc/40/80/46/949408046.db2.gz KMHCTNFQSKGIAB-UHFFFAOYSA-N -1 1 384.448 1.033 20 0 GDADMM CC(C)n1cnc(C(=O)N(C)CCCN(C)c2nccnc2-c2nn[n-]n2)c1 ZINC001574464325 949408056 /nfs/dbraw/zinc/40/80/56/949408056.db2.gz KMHCTNFQSKGIAB-UHFFFAOYSA-N -1 1 384.448 1.033 20 0 GDADMM C[C@H](NC(=O)CC(C)(F)F)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575264135 949415566 /nfs/dbraw/zinc/41/55/66/949415566.db2.gz LWNNTWFOKZEEMS-QWRGUYRKSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](NC(=O)CC(F)(F)F)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575264201 949421557 /nfs/dbraw/zinc/42/15/57/949421557.db2.gz MWNSQLXNQYXDJS-NXEZZACHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](NC(=O)CC(F)(F)F)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575264201 949421570 /nfs/dbraw/zinc/42/15/70/949421570.db2.gz MWNSQLXNQYXDJS-NXEZZACHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H]1CCC[C@@H]1CC(=O)N(C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576155903 949422362 /nfs/dbraw/zinc/42/23/62/949422362.db2.gz VYAWBNXCRVNBDN-ZIAGYGMSSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCC[C@@H]1CC(=O)N(C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576155903 949422371 /nfs/dbraw/zinc/42/23/71/949422371.db2.gz VYAWBNXCRVNBDN-ZIAGYGMSSA-N -1 1 384.488 1.910 20 0 GDADMM CC1(C(=O)N2CC[C@H](CCNc3cncc(-c4nnn[n-]4)n3)C2)CCOCC1 ZINC001575534551 949429254 /nfs/dbraw/zinc/42/92/54/949429254.db2.gz NPIFGCDKUUZXKG-ZDUSSCGKSA-N -1 1 386.460 1.124 20 0 GDADMM CC1(C(=O)N2CC[C@H](CCNc3cncc(-c4nn[n-]n4)n3)C2)CCOCC1 ZINC001575534551 949429268 /nfs/dbraw/zinc/42/92/68/949429268.db2.gz NPIFGCDKUUZXKG-ZDUSSCGKSA-N -1 1 386.460 1.124 20 0 GDADMM CC(C)n1cccc1C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574465163 949434839 /nfs/dbraw/zinc/43/48/39/949434839.db2.gz QIRNRBGQUZUHMS-UHFFFAOYSA-N -1 1 381.444 1.392 20 0 GDADMM CC(C)n1cccc1C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574465163 949434856 /nfs/dbraw/zinc/43/48/56/949434856.db2.gz QIRNRBGQUZUHMS-UHFFFAOYSA-N -1 1 381.444 1.392 20 0 GDADMM CC(C)(CNc1ccnc(-c2nn[n-]n2)n1)C1CCN(C(=O)C2(C)CC2)CC1 ZINC001575534869 949436965 /nfs/dbraw/zinc/43/69/65/949436965.db2.gz RGFHDHVSIYFFJI-UHFFFAOYSA-N -1 1 384.488 1.555 20 0 GDADMM C[C@H]1[C@H](NC(=O)C(C2CC2)C2CC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575867820 949448027 /nfs/dbraw/zinc/44/80/27/949448027.db2.gz KVZCXKZHRAKRRD-SMDDNHRTSA-N -1 1 382.472 1.566 20 0 GDADMM C[C@H]1[C@H](NC(=O)C(C2CC2)C2CC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575867820 949448042 /nfs/dbraw/zinc/44/80/42/949448042.db2.gz KVZCXKZHRAKRRD-SMDDNHRTSA-N -1 1 382.472 1.566 20 0 GDADMM CC1(C(=O)N2CCC([C@H]3CCN(c4ccnc(-c5nn[n-]n5)n4)C3)CC2)CC1 ZINC001575535494 949450671 /nfs/dbraw/zinc/45/06/71/949450671.db2.gz XOQWWANFIQYAFD-AWEZNQCLSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H](CN(C)C(=O)C1CC2(C1)CCOCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001574706298 949453577 /nfs/dbraw/zinc/45/35/77/949453577.db2.gz LWQJIEHYSCFBAW-LBPRGKRZSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](CN(C)C(=O)C1CC2(C1)CCOCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001574706298 949453603 /nfs/dbraw/zinc/45/36/03/949453603.db2.gz LWQJIEHYSCFBAW-LBPRGKRZSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@]1(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CCc2ccccc21 ZINC001575535738 949454786 /nfs/dbraw/zinc/45/47/86/949454786.db2.gz AIUOLLMWTUBBKK-JLTOFOAXSA-N -1 1 390.451 1.574 20 0 GDADMM C[C@@]1(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CCc2ccccc21 ZINC001575535738 949454798 /nfs/dbraw/zinc/45/47/98/949454798.db2.gz AIUOLLMWTUBBKK-JLTOFOAXSA-N -1 1 390.451 1.574 20 0 GDADMM CC(C)n1nccc1C(=O)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574468579 949466596 /nfs/dbraw/zinc/46/65/96/949466596.db2.gz QJHLJZZVVGECKT-GFCCVEGCSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1nccc1C(=O)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574468579 949466609 /nfs/dbraw/zinc/46/66/09/949466609.db2.gz QJHLJZZVVGECKT-GFCCVEGCSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@H]1CCC[C@@H]1CC(=O)NCCC1(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576157097 949474425 /nfs/dbraw/zinc/47/44/25/949474425.db2.gz PMPSHXIGPWHYLC-UONOGXRCSA-N -1 1 384.488 1.603 20 0 GDADMM C[C@H](NC(=O)CCC(F)F)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575266444 949475055 /nfs/dbraw/zinc/47/50/55/949475055.db2.gz CZEXOVVTRBXKCG-QWRGUYRKSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@]1(C(=O)N2CC[C@H](Nc3nc(-c4nn[n-]n4)c(Cl)s3)C2)CCOC1 ZINC001575537168 949487865 /nfs/dbraw/zinc/48/78/65/949487865.db2.gz SHRUIZKHTBHRIK-RMLUDKJBSA-N -1 1 383.865 1.416 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1ccc[nH]1 ZINC001576158126 949490078 /nfs/dbraw/zinc/49/00/78/949490078.db2.gz SEASBSGFZOGPST-KZULUSFZSA-N -1 1 381.444 1.776 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ccc[nH]1 ZINC001576158126 949490095 /nfs/dbraw/zinc/49/00/95/949490095.db2.gz SEASBSGFZOGPST-KZULUSFZSA-N -1 1 381.444 1.776 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2(C(F)F)CCC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575870611 949490859 /nfs/dbraw/zinc/49/08/59/949490859.db2.gz VVBYHINPJHVOHA-MNOVXSKESA-N -1 1 392.414 1.566 20 0 GDADMM C[C@@H]1CCC[C@H]1CC(=O)NCCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001576159049 949511517 /nfs/dbraw/zinc/51/15/17/949511517.db2.gz WBUNAUZGZSFCDA-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cnco1 ZINC001576159065 949515043 /nfs/dbraw/zinc/51/50/43/949515043.db2.gz WCMRJNXBMQMENU-DIFFPNOSSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cnco1 ZINC001576159065 949515054 /nfs/dbraw/zinc/51/50/54/949515054.db2.gz WCMRJNXBMQMENU-DIFFPNOSSA-N -1 1 383.416 1.436 20 0 GDADMM CC(C)CC(=O)NC[C@H]1Cc2ccccc2CN1c1ccnc(-c2nn[n-]n2)n1 ZINC001574122097 949521029 /nfs/dbraw/zinc/52/10/29/949521029.db2.gz VHSPPKCLOGLYPG-MRXNPFEDSA-N -1 1 392.467 1.750 20 0 GDADMM C[C@@]1(C(=O)N2CCC[C@H](CCNc3cncc(-c4nnn[n-]4)n3)C2)CCOC1 ZINC001575538692 949527486 /nfs/dbraw/zinc/52/74/86/949527486.db2.gz IYKYWAQZIFREMP-FZKQIMNGSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@@]1(C(=O)N2CCC[C@H](CCNc3cncc(-c4nn[n-]n4)n3)C2)CCOC1 ZINC001575538692 949527512 /nfs/dbraw/zinc/52/75/12/949527512.db2.gz IYKYWAQZIFREMP-FZKQIMNGSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2=CCOCC2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576163356 949529527 /nfs/dbraw/zinc/52/95/27/949529527.db2.gz AOXKNVBEWHWHCI-DOMZBBRYSA-N -1 1 384.444 1.042 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2=CCOCC2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576163356 949529544 /nfs/dbraw/zinc/52/95/44/949529544.db2.gz AOXKNVBEWHWHCI-DOMZBBRYSA-N -1 1 384.444 1.042 20 0 GDADMM C[C@@]1(C(=O)N2CCC[C@H](CCNc3cnc(-c4nnn[n-]4)cn3)C2)CCOC1 ZINC001575538825 949529480 /nfs/dbraw/zinc/52/94/80/949529480.db2.gz JOWTUKWGCUMWPS-FZKQIMNGSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@@]1(C(=O)N2CCC[C@H](CCNc3cnc(-c4nn[n-]n4)cn3)C2)CCOC1 ZINC001575538825 949529493 /nfs/dbraw/zinc/52/94/93/949529493.db2.gz JOWTUKWGCUMWPS-FZKQIMNGSA-N -1 1 386.460 1.124 20 0 GDADMM CC(C)CC(=O)NC[C@@]1(O)CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001574122618 949532951 /nfs/dbraw/zinc/53/29/51/949532951.db2.gz YWFDCTNLJBCTAV-AWEZNQCLSA-N -1 1 385.881 1.080 20 0 GDADMM CC(C)CC(=O)NC[C@@]1(O)CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001574122618 949532968 /nfs/dbraw/zinc/53/29/68/949532968.db2.gz YWFDCTNLJBCTAV-AWEZNQCLSA-N -1 1 385.881 1.080 20 0 GDADMM C[C@@H](OCc1ccccc1)C(=O)NC[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574950385 949533006 /nfs/dbraw/zinc/53/30/06/949533006.db2.gz NNHWLSBGWCAISC-QWHCGFSZSA-N -1 1 382.428 1.179 20 0 GDADMM C[C@@H](OCc1ccccc1)C(=O)NC[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574950385 949533021 /nfs/dbraw/zinc/53/30/21/949533021.db2.gz NNHWLSBGWCAISC-QWHCGFSZSA-N -1 1 382.428 1.179 20 0 GDADMM C[C@@H](CC(=O)N(C)C1CC(Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccco1 ZINC001574471440 949536068 /nfs/dbraw/zinc/53/60/68/949536068.db2.gz MUKDOHSOFVAERH-HIFPTAJRSA-N -1 1 382.428 1.845 20 0 GDADMM C[C@@H](CC(=O)N(C)C1CC(Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574471440 949536082 /nfs/dbraw/zinc/53/60/82/949536082.db2.gz MUKDOHSOFVAERH-HIFPTAJRSA-N -1 1 382.428 1.845 20 0 GDADMM C[C@H](NC(=O)CC1CCCC1)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575269249 949540452 /nfs/dbraw/zinc/54/04/52/949540452.db2.gz SMVMPVZVZZHOPW-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](NC(=O)CC1CCCC1)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575269247 949544579 /nfs/dbraw/zinc/54/45/79/949544579.db2.gz SMVMPVZVZZHOPW-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC2(O)CCC2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576163880 949544873 /nfs/dbraw/zinc/54/48/73/949544873.db2.gz DFPYGRONIFOOAQ-OCCSQVGLSA-N -1 1 386.460 1.001 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC2(O)CCC2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576163880 949544890 /nfs/dbraw/zinc/54/48/90/949544890.db2.gz DFPYGRONIFOOAQ-OCCSQVGLSA-N -1 1 386.460 1.001 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CC2CC(C)(C)C2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575872528 949548418 /nfs/dbraw/zinc/54/84/18/949548418.db2.gz JLDZFRVHGHCIEM-JSGCOSHPSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CC2CC(C)(C)C2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575872528 949548429 /nfs/dbraw/zinc/54/84/29/949548429.db2.gz JLDZFRVHGHCIEM-JSGCOSHPSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1)c1ccncc1 ZINC001574472213 949548614 /nfs/dbraw/zinc/54/86/14/949548614.db2.gz SASHKQSMLLMTTI-STQMWFEESA-N -1 1 381.444 1.504 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1)c1ccncc1 ZINC001574472213 949548628 /nfs/dbraw/zinc/54/86/28/949548628.db2.gz SASHKQSMLLMTTI-STQMWFEESA-N -1 1 381.444 1.504 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2(F)CCCC2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576164549 949556625 /nfs/dbraw/zinc/55/66/25/949556625.db2.gz HCCKZKDPFGDYFA-OCCSQVGLSA-N -1 1 388.451 1.978 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2(F)CCCC2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576164549 949556646 /nfs/dbraw/zinc/55/66/46/949556646.db2.gz HCCKZKDPFGDYFA-OCCSQVGLSA-N -1 1 388.451 1.978 20 0 GDADMM CC(C)C[C@@H](C(=O)NC[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1)n1ccnc1 ZINC001574124117 949565628 /nfs/dbraw/zinc/56/56/28/949565628.db2.gz CEAUQQKLPQOCRW-JSGCOSHPSA-N -1 1 384.448 1.057 20 0 GDADMM CC1(C(=O)N2CCC[C@@](CO)(Nc3ccc(-c4nnn[n-]4)nn3)C2)CCCC1 ZINC001575540531 949569319 /nfs/dbraw/zinc/56/93/19/949569319.db2.gz XSACWAWWLAYERY-GOSISDBHSA-N -1 1 386.460 1.002 20 0 GDADMM CC1(C(=O)N2CCC[C@@](CO)(Nc3ccc(-c4nn[n-]n4)nn3)C2)CCCC1 ZINC001575540531 949569331 /nfs/dbraw/zinc/56/93/31/949569331.db2.gz XSACWAWWLAYERY-GOSISDBHSA-N -1 1 386.460 1.002 20 0 GDADMM C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1)CC(C)(C)C ZINC001574475768 949579120 /nfs/dbraw/zinc/57/91/20/949579120.db2.gz BUVRGZPPELTMSK-STQMWFEESA-N -1 1 390.492 1.350 20 0 GDADMM C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1)CC(C)(C)C ZINC001574475768 949579132 /nfs/dbraw/zinc/57/91/32/949579132.db2.gz BUVRGZPPELTMSK-STQMWFEESA-N -1 1 390.492 1.350 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2C(C)(C)C2(C)C)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575873421 949583447 /nfs/dbraw/zinc/58/34/47/949583447.db2.gz PDDVNFJXFHPBEO-NWDGAFQWSA-N -1 1 384.488 1.812 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2C(C)(C)C2(C)C)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575873421 949583458 /nfs/dbraw/zinc/58/34/58/949583458.db2.gz PDDVNFJXFHPBEO-NWDGAFQWSA-N -1 1 384.488 1.812 20 0 GDADMM CC(C)C[C@@H](C(=O)N[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1)n1ccnc1 ZINC001574125214 949585444 /nfs/dbraw/zinc/58/54/44/949585444.db2.gz OGFUWXFDUXTTOQ-JSGCOSHPSA-N -1 1 384.448 1.057 20 0 GDADMM C[C@H]1[C@H](NC(=O)CCC(F)(F)F)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575873674 949587613 /nfs/dbraw/zinc/58/76/13/949587613.db2.gz BKPDQSLSBSFGII-VHSXEESVSA-N -1 1 384.366 1.473 20 0 GDADMM C[C@H]1[C@H](NC(=O)CCC(F)(F)F)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575873674 949587630 /nfs/dbraw/zinc/58/76/30/949587630.db2.gz BKPDQSLSBSFGII-VHSXEESVSA-N -1 1 384.366 1.473 20 0 GDADMM C[C@H]1CCCN(C(=O)C2C=CC=CC=C2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576167101 949599503 /nfs/dbraw/zinc/59/95/03/949599503.db2.gz OTBCAXJAXXPUKL-HOCLYGCPSA-N -1 1 392.467 1.994 20 0 GDADMM C[C@H]1CCCN(C(=O)C2C=CC=CC=C2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576167101 949599517 /nfs/dbraw/zinc/59/95/17/949599517.db2.gz OTBCAXJAXXPUKL-HOCLYGCPSA-N -1 1 392.467 1.994 20 0 GDADMM C[C@H](NC(=O)CCCc1ccccc1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575270727 949601788 /nfs/dbraw/zinc/60/17/88/949601788.db2.gz FSSPMMXDUPDLKN-KBPBESRZSA-N -1 1 380.456 1.985 20 0 GDADMM C[C@H](NC(=O)CCCc1ccccc1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575270727 949601804 /nfs/dbraw/zinc/60/18/04/949601804.db2.gz FSSPMMXDUPDLKN-KBPBESRZSA-N -1 1 380.456 1.985 20 0 GDADMM C[C@]1(C(=O)N2CCCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)CCCOC1 ZINC001575546505 949612229 /nfs/dbraw/zinc/61/22/29/949612229.db2.gz QRVVDTQOZNPZOA-ACJLOTCBSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@]1(C(=O)N2CCCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)CCCOC1 ZINC001575546505 949612243 /nfs/dbraw/zinc/61/22/43/949612243.db2.gz QRVVDTQOZNPZOA-ACJLOTCBSA-N -1 1 386.460 1.266 20 0 GDADMM CC(C)CC(C)(C)C(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001574129344 949641176 /nfs/dbraw/zinc/64/11/76/949641176.db2.gz UOBFJXHBOYXSIF-OKILXGFUSA-N -1 1 384.488 1.624 20 0 GDADMM CC(C)CC(C)(C)C(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001574129344 949641192 /nfs/dbraw/zinc/64/11/92/949641192.db2.gz UOBFJXHBOYXSIF-OKILXGFUSA-N -1 1 384.488 1.624 20 0 GDADMM C[C@@H](NC(=O)CCC1CCC1)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575272436 949645341 /nfs/dbraw/zinc/64/53/41/949645341.db2.gz QRUFALZFHZNCLV-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@H]1CCc2ccccc21)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574715466 949650794 /nfs/dbraw/zinc/65/07/94/949650794.db2.gz CYLRTRDKYLGLAX-DZGCQCFKSA-N -1 1 392.467 1.458 20 0 GDADMM C[C@H]1CCCC[C@H]1CC(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001576168862 949652581 /nfs/dbraw/zinc/65/25/81/949652581.db2.gz HBPKFYPWTYOPPE-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCCC[C@H]1CC(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001576168862 949652598 /nfs/dbraw/zinc/65/25/98/949652598.db2.gz HBPKFYPWTYOPPE-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2=COCCC2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576168913 949653793 /nfs/dbraw/zinc/65/37/93/949653793.db2.gz WPOLYYOEIHCXRD-IUODEOHRSA-N -1 1 384.444 1.390 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2=COCCC2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576168913 949653799 /nfs/dbraw/zinc/65/37/99/949653799.db2.gz WPOLYYOEIHCXRD-IUODEOHRSA-N -1 1 384.444 1.390 20 0 GDADMM C[C@H]1CCCC[C@@H]1CC(=O)N(CCO)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576169231 949673286 /nfs/dbraw/zinc/67/32/86/949673286.db2.gz IZXHQHMRMQFLTK-UONOGXRCSA-N -1 1 388.476 1.106 20 0 GDADMM C[C@H]1CCCC[C@@H]1CC(=O)N(CCO)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576169231 949673301 /nfs/dbraw/zinc/67/33/01/949673301.db2.gz IZXHQHMRMQFLTK-UONOGXRCSA-N -1 1 388.476 1.106 20 0 GDADMM C[C@H]1[C@@H](NC(=O)Cc2ccccc2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575879673 949689596 /nfs/dbraw/zinc/68/95/96/949689596.db2.gz RDCGSURTYSTFDK-ZFWWWQNUSA-N -1 1 378.440 1.373 20 0 GDADMM C[C@H]1[C@@H](NC(=O)Cc2ccccc2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575879673 949689608 /nfs/dbraw/zinc/68/96/08/949689608.db2.gz RDCGSURTYSTFDK-ZFWWWQNUSA-N -1 1 378.440 1.373 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CCc2ccoc2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575880209 949698058 /nfs/dbraw/zinc/69/80/58/949698058.db2.gz SGDNHFBPBHVCMV-TZMCWYRMSA-N -1 1 382.428 1.356 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CCc2ccoc2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575880209 949698070 /nfs/dbraw/zinc/69/80/70/949698070.db2.gz SGDNHFBPBHVCMV-TZMCWYRMSA-N -1 1 382.428 1.356 20 0 GDADMM C[C@H](CC(=O)N(C)CCCN(C)c1cncc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001574478308 949704006 /nfs/dbraw/zinc/70/40/06/949704006.db2.gz YISDKPBAUFPPBE-SNVBAGLBSA-N -1 1 386.382 1.530 20 0 GDADMM C[C@H](CC(=O)N(C)CCCN(C)c1cncc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001574478308 949704022 /nfs/dbraw/zinc/70/40/22/949704022.db2.gz YISDKPBAUFPPBE-SNVBAGLBSA-N -1 1 386.382 1.530 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001574133430 949709138 /nfs/dbraw/zinc/70/91/38/949709138.db2.gz DEODMVDJLPXLGM-SOUVJXGZSA-N -1 1 384.488 1.624 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@]1(C)CCCOC1 ZINC001575557344 949717492 /nfs/dbraw/zinc/71/74/92/949717492.db2.gz HSZSKWJUSXIRJL-SCLBCKFNSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@]1(C)CCCOC1 ZINC001575557344 949717507 /nfs/dbraw/zinc/71/75/07/949717507.db2.gz HSZSKWJUSXIRJL-SCLBCKFNSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@H]1CCC(C)(C)CO1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574717366 949731302 /nfs/dbraw/zinc/73/13/02/949731302.db2.gz VKIDXSGTBKXSPI-QWHCGFSZSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@H]1CCC(C)(C)CO1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574717366 949731323 /nfs/dbraw/zinc/73/13/23/949731323.db2.gz VKIDXSGTBKXSPI-QWHCGFSZSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@@H]1CCCC1(F)F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574718002 949757450 /nfs/dbraw/zinc/75/74/50/949757450.db2.gz YEPRPBIATAEYDG-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@@H]1CCCC1(F)F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574718002 949757463 /nfs/dbraw/zinc/75/74/63/949757463.db2.gz YEPRPBIATAEYDG-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CC(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1)[C@H]1CCCO1 ZINC001574480834 949757425 /nfs/dbraw/zinc/75/74/25/949757425.db2.gz KEKGCTMDNALWGK-SWLSCSKDSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H](CC(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1)[C@H]1CCCO1 ZINC001574480834 949757430 /nfs/dbraw/zinc/75/74/30/949757430.db2.gz KEKGCTMDNALWGK-SWLSCSKDSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@@H](C)c1ccncc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574718342 949776521 /nfs/dbraw/zinc/77/65/21/949776521.db2.gz ZZOXHRMZKHRNSH-CHWSQXEVSA-N -1 1 381.444 1.504 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@@H](C)c1ccncc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574718342 949776528 /nfs/dbraw/zinc/77/65/28/949776528.db2.gz ZZOXHRMZKHRNSH-CHWSQXEVSA-N -1 1 381.444 1.504 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)NC1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574138070 949784170 /nfs/dbraw/zinc/78/41/70/949784170.db2.gz ZUIJLXVPLZCIGZ-WLYUNCDWSA-N -1 1 386.504 1.990 20 0 GDADMM C[C@H](NC(=O)Cc1c(F)cccc1F)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575280828 949789720 /nfs/dbraw/zinc/78/97/20/949789720.db2.gz AHOGFIWLSLHPSS-UWVGGRQHSA-N -1 1 388.382 1.483 20 0 GDADMM C[C@H](NC(=O)Cc1c(F)cccc1F)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575280828 949789737 /nfs/dbraw/zinc/78/97/37/949789737.db2.gz AHOGFIWLSLHPSS-UWVGGRQHSA-N -1 1 388.382 1.483 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C1(F)CCCC1 ZINC001573822423 949791950 /nfs/dbraw/zinc/79/19/50/949791950.db2.gz JBIFSOGUFQUHCI-LLVKDONJSA-N -1 1 376.440 1.882 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C1(F)CCCC1 ZINC001573822423 949791991 /nfs/dbraw/zinc/79/19/91/949791991.db2.gz JBIFSOGUFQUHCI-LLVKDONJSA-N -1 1 376.440 1.882 20 0 GDADMM C[C@@H](CN(C)C(=O)CCCc1cccnc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574720627 949799101 /nfs/dbraw/zinc/79/91/01/949799101.db2.gz DWXGEUPPTJJEAW-ZDUSSCGKSA-N -1 1 381.444 1.333 20 0 GDADMM C[C@@H](CN(C)C(=O)CCCc1cccnc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574720627 949799111 /nfs/dbraw/zinc/79/91/11/949799111.db2.gz DWXGEUPPTJJEAW-ZDUSSCGKSA-N -1 1 381.444 1.333 20 0 GDADMM C[C@@H](CNC(=O)c1c(Cl)n[nH]c1C1CC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574965592 949806782 /nfs/dbraw/zinc/80/67/82/949806782.db2.gz HNBDSANLZSVRNZ-ZETCQYMHSA-N -1 1 388.823 1.141 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001574481889 949808119 /nfs/dbraw/zinc/80/81/19/949808119.db2.gz XDCOTENDSUCZAS-ZIAGYGMSSA-N -1 1 384.488 1.555 20 0 GDADMM CC1(C(=O)N[C@H]2CC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CC(F)(F)C1 ZINC001575561912 949818477 /nfs/dbraw/zinc/81/84/77/949818477.db2.gz DKTBTXVKUNCKHY-QWRGUYRKSA-N -1 1 392.414 1.789 20 0 GDADMM CC1(C(=O)N[C@H]2CC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CC(F)(F)C1 ZINC001575561912 949818499 /nfs/dbraw/zinc/81/84/99/949818499.db2.gz DKTBTXVKUNCKHY-QWRGUYRKSA-N -1 1 392.414 1.789 20 0 GDADMM CC1(C(=O)N[C@@H]2CC[C@@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]3C2)CCC1 ZINC001575563105 949837462 /nfs/dbraw/zinc/83/74/62/949837462.db2.gz JEAFWPAHYCRFAD-MGPQQGTHSA-N -1 1 382.472 1.568 20 0 GDADMM CC1(C(=O)N[C@@H]2CC[C@@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]3C2)CCC1 ZINC001575563105 949837485 /nfs/dbraw/zinc/83/74/85/949837485.db2.gz JEAFWPAHYCRFAD-MGPQQGTHSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574484036 949854614 /nfs/dbraw/zinc/85/46/14/949854614.db2.gz CTIZUZNXGBOXGH-OLZOCXBDSA-N -1 1 382.428 1.268 20 0 GDADMM CC(C)(C)C1CC(C(=O)NC[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001573825172 949864933 /nfs/dbraw/zinc/86/49/33/949864933.db2.gz LLCLPEROYTYMAL-AJNFDDFZSA-N -1 1 384.488 1.458 20 0 GDADMM C[C@@]1(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CCc2ccccc21 ZINC001575568557 949892427 /nfs/dbraw/zinc/89/24/27/949892427.db2.gz ALOVXXDMTCSAOX-JLTOFOAXSA-N -1 1 390.451 1.256 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)c1ccco1 ZINC001574484651 949894496 /nfs/dbraw/zinc/89/44/96/949894496.db2.gz LKMKLHAFKSRPJV-QWHCGFSZSA-N -1 1 382.428 1.268 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccncc2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576178909 949901890 /nfs/dbraw/zinc/90/18/90/949901890.db2.gz DBHIFCJFCVFYEG-SWLSCSKDSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccncc2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576178909 949901908 /nfs/dbraw/zinc/90/19/08/949901908.db2.gz DBHIFCJFCVFYEG-SWLSCSKDSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccncc2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576178914 949903593 /nfs/dbraw/zinc/90/35/93/949903593.db2.gz DBHIFCJFCVFYEG-WFASDCNBSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccncc2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576178914 949903608 /nfs/dbraw/zinc/90/36/08/949903608.db2.gz DBHIFCJFCVFYEG-WFASDCNBSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001574485653 949926691 /nfs/dbraw/zinc/92/66/91/949926691.db2.gz YPHIUIHBECGKBN-UWVGGRQHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001574485653 949926708 /nfs/dbraw/zinc/92/67/08/949926708.db2.gz YPHIUIHBECGKBN-UWVGGRQHSA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574145567 949926997 /nfs/dbraw/zinc/92/69/97/949926997.db2.gz UKYJRTCHSIJSBJ-MELADBBJSA-N -1 1 388.476 1.557 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574145567 949927006 /nfs/dbraw/zinc/92/70/06/949927006.db2.gz UKYJRTCHSIJSBJ-MELADBBJSA-N -1 1 388.476 1.557 20 0 GDADMM CC(C)(C)[C@H]1CCC[C@H](NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC1 ZINC001573828408 949933869 /nfs/dbraw/zinc/93/38/69/949933869.db2.gz SIXGVIAJFJYTBA-RYUDHWBXSA-N -1 1 389.460 1.240 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001574488018 949936686 /nfs/dbraw/zinc/93/66/86/949936686.db2.gz BYYYPZRPDHIDNS-WCABBAIRSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574488018 949936696 /nfs/dbraw/zinc/93/66/96/949936696.db2.gz BYYYPZRPDHIDNS-WCABBAIRSA-N -1 1 384.366 1.504 20 0 GDADMM CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001573829659 949961829 /nfs/dbraw/zinc/96/18/29/949961829.db2.gz AMNMEGXYTOYJQM-LBPRGKRZSA-N -1 1 376.486 1.972 20 0 GDADMM CC(C)(C)CC(=O)N1CC[C@]2(C1)CCCN(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001573829933 949966868 /nfs/dbraw/zinc/96/68/68/949966868.db2.gz FIPWZMBMAPTSDR-LJQANCHMSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)(C)CC(=O)N1CC[C@]2(C1)CCCN(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001573829933 949966885 /nfs/dbraw/zinc/96/68/85/949966885.db2.gz FIPWZMBMAPTSDR-LJQANCHMSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cscn2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576180980 949978817 /nfs/dbraw/zinc/97/88/17/949978817.db2.gz QUYQLJZXQWFTDK-ZWNOBZJWSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cscn2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576180980 949978835 /nfs/dbraw/zinc/97/88/35/949978835.db2.gz QUYQLJZXQWFTDK-ZWNOBZJWSA-N -1 1 385.457 1.466 20 0 GDADMM CC(C)C(C)(C)C(=O)N1CC[C@H](C)[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576181241 949989171 /nfs/dbraw/zinc/98/91/71/949989171.db2.gz SGIZOQVVNFWQHM-KBPBESRZSA-N -1 1 386.504 1.657 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1cc2ccccc2o1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574728532 949989622 /nfs/dbraw/zinc/98/96/22/949989622.db2.gz CAVIIZSRDWMXIW-LBPRGKRZSA-N -1 1 392.423 1.326 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccoc2)[C@@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576181309 949995013 /nfs/dbraw/zinc/99/50/13/949995013.db2.gz LPLAUKQGPMRCIJ-IUODEOHRSA-N -1 1 382.428 1.993 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccoc2)[C@@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576181309 949995031 /nfs/dbraw/zinc/99/50/31/949995031.db2.gz LPLAUKQGPMRCIJ-IUODEOHRSA-N -1 1 382.428 1.993 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2ccc(Cl)o2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575891286 949995279 /nfs/dbraw/zinc/99/52/79/949995279.db2.gz HIWKFDVXPHZDED-VHSXEESVSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@H](CC(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)C(F)(F)F ZINC001574490494 950001326 /nfs/dbraw/zinc/00/13/26/950001326.db2.gz TULDITXSXWGCEW-SCZZXKLOSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](CC(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)C(F)(F)F ZINC001574490494 950001341 /nfs/dbraw/zinc/00/13/41/950001341.db2.gz TULDITXSXWGCEW-SCZZXKLOSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1cccc(Cl)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001574728920 950013259 /nfs/dbraw/zinc/01/32/59/950013259.db2.gz KYCLKGYYIVNMEY-NSHDSACASA-N -1 1 386.847 1.812 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1cccc(Cl)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001574728920 950013279 /nfs/dbraw/zinc/01/32/79/950013279.db2.gz KYCLKGYYIVNMEY-NSHDSACASA-N -1 1 386.847 1.812 20 0 GDADMM C[C@@H](CC(=O)N[C@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001574491749 950046914 /nfs/dbraw/zinc/04/69/14/950046914.db2.gz FLFKJYQHRMDIJI-LKFCYVNXSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](CC(=O)N[C@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574491749 950046937 /nfs/dbraw/zinc/04/69/37/950046937.db2.gz FLFKJYQHRMDIJI-LKFCYVNXSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CCCCC1 ZINC001574491757 950047273 /nfs/dbraw/zinc/04/72/73/950047273.db2.gz FNQPPPRJLPQLDT-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CCCCC1 ZINC001574491757 950047294 /nfs/dbraw/zinc/04/72/94/950047294.db2.gz FNQPPPRJLPQLDT-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCN(C(=O)C2CC3(CC3)C2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576182946 950069858 /nfs/dbraw/zinc/06/98/58/950069858.db2.gz OCJJZLKAAWBAJB-TZMCWYRMSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@@H]1CCN(C(=O)C2CC3(CC3)C2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576182946 950069874 /nfs/dbraw/zinc/06/98/74/950069874.db2.gz OCJJZLKAAWBAJB-TZMCWYRMSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@@H]1CCN(C(=O)C2=COCCC2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576183581 950090951 /nfs/dbraw/zinc/09/09/51/950090951.db2.gz QFMILZCGGCRKSD-TZMCWYRMSA-N -1 1 384.444 1.248 20 0 GDADMM C[C@@H]1CCN(C(=O)C2=COCCC2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576183581 950090974 /nfs/dbraw/zinc/09/09/74/950090974.db2.gz QFMILZCGGCRKSD-TZMCWYRMSA-N -1 1 384.444 1.248 20 0 GDADMM C[C@H]1CCN(C(=O)C2=COCCC2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576183578 950092295 /nfs/dbraw/zinc/09/22/95/950092295.db2.gz QFMILZCGGCRKSD-GXTWGEPZSA-N -1 1 384.444 1.248 20 0 GDADMM C[C@H]1CCN(C(=O)C2=COCCC2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576183578 950092320 /nfs/dbraw/zinc/09/23/20/950092320.db2.gz QFMILZCGGCRKSD-GXTWGEPZSA-N -1 1 384.444 1.248 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C)C1CC1 ZINC001574492702 950096015 /nfs/dbraw/zinc/09/60/15/950096015.db2.gz ORASLKQCJWYOQO-SWLSCSKDSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C)C1CC1 ZINC001574492702 950096032 /nfs/dbraw/zinc/09/60/32/950096032.db2.gz ORASLKQCJWYOQO-SWLSCSKDSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ccoc2Cl)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575894588 950104635 /nfs/dbraw/zinc/10/46/35/950104635.db2.gz FJRGXTIMFARJTF-KOLCDFICSA-N -1 1 388.819 1.690 20 0 GDADMM CC(C)(C)CC(=O)NC[C@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1 ZINC001573837365 950106041 /nfs/dbraw/zinc/10/60/41/950106041.db2.gz YBKPMTXKUQSKJK-LBPRGKRZSA-N -1 1 378.502 1.681 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](Nc1nccnc1-c1nnn[n-]1)C1CC1)n1cccc1 ZINC001574492869 950107431 /nfs/dbraw/zinc/10/74/31/950107431.db2.gz DHRKQWFOPIHXFT-TZMCWYRMSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](Nc1nccnc1-c1nn[n-]n1)C1CC1)n1cccc1 ZINC001574492869 950107438 /nfs/dbraw/zinc/10/74/38/950107438.db2.gz DHRKQWFOPIHXFT-TZMCWYRMSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccccc1 ZINC001574493043 950111570 /nfs/dbraw/zinc/11/15/70/950111570.db2.gz QZRCJNAVNVSQMR-GOEBONIOSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccccc1 ZINC001574493043 950111589 /nfs/dbraw/zinc/11/15/89/950111589.db2.gz QZRCJNAVNVSQMR-GOEBONIOSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2ccoc2Cl)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575896354 950128062 /nfs/dbraw/zinc/12/80/62/950128062.db2.gz MDDJRNXKTYTNOA-GXSJLCMTSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2ccoc2Cl)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575896354 950128071 /nfs/dbraw/zinc/12/80/71/950128071.db2.gz MDDJRNXKTYTNOA-GXSJLCMTSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cccnc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574734196 950128418 /nfs/dbraw/zinc/12/84/18/950128418.db2.gz KOUQPVWRIQGLBS-KWCYVHTRSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cccnc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574734196 950128432 /nfs/dbraw/zinc/12/84/32/950128432.db2.gz KOUQPVWRIQGLBS-KWCYVHTRSA-N -1 1 379.428 1.114 20 0 GDADMM CC(C)(C)CC(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)C[C@@H]1O ZINC001573839336 950129411 /nfs/dbraw/zinc/12/94/11/950129411.db2.gz QZRSMRCCOFATMH-SFYZADRCSA-N -1 1 385.881 1.079 20 0 GDADMM CC(C)(C)CC(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)C[C@@H]1O ZINC001573839336 950129427 /nfs/dbraw/zinc/12/94/27/950129427.db2.gz QZRSMRCCOFATMH-SFYZADRCSA-N -1 1 385.881 1.079 20 0 GDADMM C[C@@H]1CCN(C(=O)C2CC(C)(C)C2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576184932 950146545 /nfs/dbraw/zinc/14/65/45/950146545.db2.gz YKTDPTYGPPMYBS-OCCSQVGLSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H]1CCN(C(=O)C2CC(C)(C)C2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576184932 950146558 /nfs/dbraw/zinc/14/65/58/950146558.db2.gz YKTDPTYGPPMYBS-OCCSQVGLSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](Nc1nccnc1-c1nnn[n-]1)C1CC1)c1ccco1 ZINC001574494245 950156260 /nfs/dbraw/zinc/15/62/60/950156260.db2.gz JKEYTPOYMWYZIG-AAEUAGOBSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](Nc1nccnc1-c1nn[n-]n1)C1CC1)c1ccco1 ZINC001574494245 950156272 /nfs/dbraw/zinc/15/62/72/950156272.db2.gz JKEYTPOYMWYZIG-AAEUAGOBSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccsn2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576190539 950162856 /nfs/dbraw/zinc/16/28/56/950162856.db2.gz AKTJMXIUOFGDEJ-QWRGUYRKSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccsn2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576190539 950162864 /nfs/dbraw/zinc/16/28/64/950162864.db2.gz AKTJMXIUOFGDEJ-QWRGUYRKSA-N -1 1 385.457 1.324 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1ccc(Cl)[nH]1 ZINC001574154121 950164045 /nfs/dbraw/zinc/16/40/45/950164045.db2.gz BOXWPAFMSIPGGG-SNVBAGLBSA-N -1 1 389.851 1.895 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ccc(Cl)[nH]1 ZINC001574154121 950164055 /nfs/dbraw/zinc/16/40/55/950164055.db2.gz BOXWPAFMSIPGGG-SNVBAGLBSA-N -1 1 389.851 1.895 20 0 GDADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)C(C)(F)F ZINC001574154287 950168315 /nfs/dbraw/zinc/16/83/15/950168315.db2.gz CTEHIIXDULYNQG-QWRGUYRKSA-N -1 1 382.419 1.313 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccncc2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576191657 950203264 /nfs/dbraw/zinc/20/32/64/950203264.db2.gz HQTUGVFDQZJPRE-OCCSQVGLSA-N -1 1 379.428 1.262 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccncc2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576191657 950203277 /nfs/dbraw/zinc/20/32/77/950203277.db2.gz HQTUGVFDQZJPRE-OCCSQVGLSA-N -1 1 379.428 1.262 20 0 GDADMM C[C@H](CN(C)C(=O)c1c(F)ccc(F)c1F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574739962 950215066 /nfs/dbraw/zinc/21/50/66/950215066.db2.gz AHZQRZFBUIOLKB-MRVPVSSYSA-N -1 1 392.345 1.069 20 0 GDADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CC12CCCC2 ZINC001574156011 950217879 /nfs/dbraw/zinc/21/78/79/950217879.db2.gz UHZNQDLCVNDHHC-ZIAGYGMSSA-N -1 1 384.488 1.602 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1csc(=O)[nH]1 ZINC001574156084 950223946 /nfs/dbraw/zinc/22/39/46/950223946.db2.gz WHDZKNPJPHTGLI-SECBINFHSA-N -1 1 389.445 1.075 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)Cc1ccccc1 ZINC001574156098 950225052 /nfs/dbraw/zinc/22/50/52/950225052.db2.gz WSAPNYCCFHQDJT-HNNXBMFYSA-N -1 1 380.456 1.842 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)Cc1ccccc1 ZINC001574156098 950225081 /nfs/dbraw/zinc/22/50/81/950225081.db2.gz WSAPNYCCFHQDJT-HNNXBMFYSA-N -1 1 380.456 1.842 20 0 GDADMM C[C@H](CC(=O)NC[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1)n1cccc1 ZINC001574497076 950228139 /nfs/dbraw/zinc/22/81/39/950228139.db2.gz YTFVXUNHPYHQQX-OCCSQVGLSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](CC(=O)NC[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1)n1cccc1 ZINC001574497076 950228159 /nfs/dbraw/zinc/22/81/59/950228159.db2.gz YTFVXUNHPYHQQX-OCCSQVGLSA-N -1 1 381.444 1.416 20 0 GDADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)n1cccc1 ZINC001574156209 950234411 /nfs/dbraw/zinc/23/44/11/950234411.db2.gz YXTKWTDDYYGWPV-ZIAGYGMSSA-N -1 1 383.460 1.084 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@@H]1CCCCO1 ZINC001574156222 950234725 /nfs/dbraw/zinc/23/47/25/950234725.db2.gz ZEHXATQFDISZNZ-KBPBESRZSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@@H]1CCCCO1 ZINC001574156222 950234738 /nfs/dbraw/zinc/23/47/38/950234738.db2.gz ZEHXATQFDISZNZ-KBPBESRZSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H](CC(=O)NC[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1)C1CCCCC1 ZINC001574497686 950236447 /nfs/dbraw/zinc/23/64/47/950236447.db2.gz AZRFXHKNLWGHJI-TZMCWYRMSA-N -1 1 388.476 1.152 20 0 GDADMM C[C@H](CC(=O)NC[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1)C1CCCCC1 ZINC001574497686 950236461 /nfs/dbraw/zinc/23/64/61/950236461.db2.gz AZRFXHKNLWGHJI-TZMCWYRMSA-N -1 1 388.476 1.152 20 0 GDADMM C[C@H]1CCN(C(=O)c2cncs2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576192289 950239092 /nfs/dbraw/zinc/23/90/92/950239092.db2.gz LRTNCRPMZAFYPV-WDEREUQCSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H]1CCN(C(=O)c2cncs2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576192289 950239105 /nfs/dbraw/zinc/23/91/05/950239105.db2.gz LRTNCRPMZAFYPV-WDEREUQCSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCC1)[C@H]1CCCO1 ZINC001574497859 950248009 /nfs/dbraw/zinc/24/80/09/950248009.db2.gz FHIOTTLZJPRLEO-GXTWGEPZSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCC1)[C@H]1CCCO1 ZINC001574497859 950248023 /nfs/dbraw/zinc/24/80/23/950248023.db2.gz FHIOTTLZJPRLEO-GXTWGEPZSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)Nc2n[nH]cc2-c2nnn[n-]2)C1 ZINC001576192504 950249281 /nfs/dbraw/zinc/24/92/81/950249281.db2.gz OVGPNFQSODRLGZ-GXSJLCMTSA-N -1 1 376.421 1.564 20 0 GDADMM C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)Nc2n[nH]cc2-c2nn[n-]n2)C1 ZINC001576192504 950249290 /nfs/dbraw/zinc/24/92/90/950249290.db2.gz OVGPNFQSODRLGZ-GXSJLCMTSA-N -1 1 376.421 1.564 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2sccc2F)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575902471 950258464 /nfs/dbraw/zinc/25/84/64/950258464.db2.gz VMLSMXRHWQLMPW-MWLCHTKSSA-N -1 1 388.432 1.645 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2sccc2F)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575902471 950258488 /nfs/dbraw/zinc/25/84/88/950258488.db2.gz VMLSMXRHWQLMPW-MWLCHTKSSA-N -1 1 388.432 1.645 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCC1)C(F)(F)F ZINC001574498108 950261909 /nfs/dbraw/zinc/26/19/09/950261909.db2.gz JYQNYJKIZOEVSN-VIFPVBQESA-N -1 1 384.366 1.696 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCC1)C(F)(F)F ZINC001574498108 950261924 /nfs/dbraw/zinc/26/19/24/950261924.db2.gz JYQNYJKIZOEVSN-VIFPVBQESA-N -1 1 384.366 1.696 20 0 GDADMM C[C@H]1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576193488 950300161 /nfs/dbraw/zinc/30/01/61/950300161.db2.gz VIWYVUMKAIHNLI-VQJWOFKYSA-N -1 1 382.472 1.599 20 0 GDADMM C[C@H]1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576193488 950300182 /nfs/dbraw/zinc/30/01/82/950300182.db2.gz VIWYVUMKAIHNLI-VQJWOFKYSA-N -1 1 382.472 1.599 20 0 GDADMM C[C@H](CC(=O)NC[C@@]1(C)CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001574499449 950303108 /nfs/dbraw/zinc/30/31/08/950303108.db2.gz VRIQGZARWNJWBL-BFUOFWGJSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[C@@H]1CCCOC1 ZINC001574159373 950308572 /nfs/dbraw/zinc/30/85/72/950308572.db2.gz GLFJLRLYWJSVJG-KBPBESRZSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[C@@H]1CCCOC1 ZINC001574159373 950308602 /nfs/dbraw/zinc/30/86/02/950308602.db2.gz GLFJLRLYWJSVJG-KBPBESRZSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCC1)C(F)(F)F ZINC001574500045 950309713 /nfs/dbraw/zinc/30/97/13/950309713.db2.gz YAFGPMXUQWMFKW-VIFPVBQESA-N -1 1 384.366 1.696 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCC1)C(F)(F)F ZINC001574500045 950309736 /nfs/dbraw/zinc/30/97/36/950309736.db2.gz YAFGPMXUQWMFKW-VIFPVBQESA-N -1 1 384.366 1.696 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCC1)c1ccccc1 ZINC001574499955 950310171 /nfs/dbraw/zinc/31/01/71/950310171.db2.gz XPMIKHDONOIREI-CQSZACIVSA-N -1 1 392.467 1.723 20 0 GDADMM C[C@H](CC(=O)NCC1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccco1 ZINC001574500306 950316269 /nfs/dbraw/zinc/31/62/69/950316269.db2.gz ZLRZZGKQEUSVIW-PNESKVBLSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](CC(=O)NCC1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccco1 ZINC001574500306 950316303 /nfs/dbraw/zinc/31/63/03/950316303.db2.gz ZLRZZGKQEUSVIW-PNESKVBLSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001574501315 950333438 /nfs/dbraw/zinc/33/34/38/950333438.db2.gz CXQVWIUPAFNQSC-QWHCGFSZSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001574501315 950333459 /nfs/dbraw/zinc/33/34/59/950333459.db2.gz CXQVWIUPAFNQSC-QWHCGFSZSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCCCCN1c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001574501702 950340295 /nfs/dbraw/zinc/34/02/95/950340295.db2.gz GNTYGQZUAMQWMZ-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCCCCN1c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001574501702 950340315 /nfs/dbraw/zinc/34/03/15/950340315.db2.gz GNTYGQZUAMQWMZ-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCCOCC1 ZINC001574161251 950353407 /nfs/dbraw/zinc/35/34/07/950353407.db2.gz SDRDPKXUZUNYPQ-UONOGXRCSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCCOCC1 ZINC001574161251 950353426 /nfs/dbraw/zinc/35/34/26/950353426.db2.gz SDRDPKXUZUNYPQ-UONOGXRCSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001574502093 950355910 /nfs/dbraw/zinc/35/59/10/950355910.db2.gz IUGHROFIWVLLJD-VHSXEESVSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001574502093 950355923 /nfs/dbraw/zinc/35/59/23/950355923.db2.gz IUGHROFIWVLLJD-VHSXEESVSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCC1(F)F ZINC001574162128 950379063 /nfs/dbraw/zinc/37/90/63/950379063.db2.gz ZMLUCQNEQKATSN-WDEREUQCSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCC1(F)F ZINC001574162128 950379084 /nfs/dbraw/zinc/37/90/84/950379084.db2.gz ZMLUCQNEQKATSN-WDEREUQCSA-N -1 1 380.403 1.645 20 0 GDADMM CC1(C(=O)NC[C@H]2C[C@H](Nc3nccnc3-c3nnn[n-]3)C2)CC(F)(F)C1 ZINC001575596958 950395523 /nfs/dbraw/zinc/39/55/23/950395523.db2.gz KDMQVPHFVOZARL-MGCOHNPYSA-N -1 1 378.387 1.399 20 0 GDADMM CC1(C(=O)NC[C@H]2C[C@H](Nc3nccnc3-c3nn[n-]n3)C2)CC(F)(F)C1 ZINC001575596958 950395545 /nfs/dbraw/zinc/39/55/45/950395545.db2.gz KDMQVPHFVOZARL-MGCOHNPYSA-N -1 1 378.387 1.399 20 0 GDADMM CC1(C(=O)NC[C@H]2CN(c3nccnc3-c3nnn[n-]3)CCC2(F)F)CCC1 ZINC001575597245 950408677 /nfs/dbraw/zinc/40/86/77/950408677.db2.gz ZUDISNDFMHKHSS-NSHDSACASA-N -1 1 392.414 1.425 20 0 GDADMM CC1(C(=O)NC[C@H]2CN(c3nccnc3-c3nn[n-]n3)CCC2(F)F)CCC1 ZINC001575597245 950408695 /nfs/dbraw/zinc/40/86/95/950408695.db2.gz ZUDISNDFMHKHSS-NSHDSACASA-N -1 1 392.414 1.425 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H](C)n1cccn1 ZINC001574163384 950421672 /nfs/dbraw/zinc/42/16/72/950421672.db2.gz SWWXTZXEOYDRPF-QWHCGFSZSA-N -1 1 384.448 1.057 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H](C)n1cccn1 ZINC001574163384 950421686 /nfs/dbraw/zinc/42/16/86/950421686.db2.gz SWWXTZXEOYDRPF-QWHCGFSZSA-N -1 1 384.448 1.057 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C1(CCF)CC1 ZINC001574163426 950426203 /nfs/dbraw/zinc/42/62/03/950426203.db2.gz UORYDQCDXWRUAO-LBPRGKRZSA-N -1 1 376.440 1.739 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C1(CCF)CC1 ZINC001574163426 950426215 /nfs/dbraw/zinc/42/62/15/950426215.db2.gz UORYDQCDXWRUAO-LBPRGKRZSA-N -1 1 376.440 1.739 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cc[nH]c(=O)c1 ZINC001574163523 950428633 /nfs/dbraw/zinc/42/86/33/950428633.db2.gz VKGMWKLTZHKOPP-LBPRGKRZSA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cc[nH]c(=O)c1 ZINC001574163523 950428644 /nfs/dbraw/zinc/42/86/44/950428644.db2.gz VKGMWKLTZHKOPP-LBPRGKRZSA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccc(Cl)[nH]1 ZINC001574163597 950430446 /nfs/dbraw/zinc/43/04/46/950430446.db2.gz WSDIREMMYMDYIY-JTQLQIEISA-N -1 1 389.851 1.895 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccc(Cl)[nH]1 ZINC001574163597 950430456 /nfs/dbraw/zinc/43/04/56/950430456.db2.gz WSDIREMMYMDYIY-JTQLQIEISA-N -1 1 389.851 1.895 20 0 GDADMM CC(C)CC1(C(=O)N(C)C[C@@H](O)CNc2ccc(-c3nnn[n-]3)nn2)CCC1 ZINC001574163827 950436422 /nfs/dbraw/zinc/43/64/22/950436422.db2.gz YXDKRVMAUAAISF-ZDUSSCGKSA-N -1 1 388.476 1.104 20 0 GDADMM CC(C)CC1(C(=O)N(C)C[C@@H](O)CNc2ccc(-c3nn[n-]n3)nn2)CCC1 ZINC001574163827 950436438 /nfs/dbraw/zinc/43/64/38/950436438.db2.gz YXDKRVMAUAAISF-ZDUSSCGKSA-N -1 1 388.476 1.104 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)NCc2nc(-c3nnn[n-]3)cs2)C1 ZINC001573861010 950436861 /nfs/dbraw/zinc/43/68/61/950436861.db2.gz OTHRHOJUQPZCOM-SNVBAGLBSA-N -1 1 391.457 1.553 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)NCc2nc(-c3nn[n-]n3)cs2)C1 ZINC001573861010 950436875 /nfs/dbraw/zinc/43/68/75/950436875.db2.gz OTHRHOJUQPZCOM-SNVBAGLBSA-N -1 1 391.457 1.553 20 0 GDADMM C[C@@H](CC(=O)NCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1)n1cccc1 ZINC001574506710 950440869 /nfs/dbraw/zinc/44/08/69/950440869.db2.gz BXNMBKYUQCZIFP-ZDUSSCGKSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](CC(=O)NCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1)n1cccc1 ZINC001574506710 950440883 /nfs/dbraw/zinc/44/08/83/950440883.db2.gz BXNMBKYUQCZIFP-ZDUSSCGKSA-N -1 1 381.444 1.195 20 0 GDADMM CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2c[nH]nc2-c2nn[n-]n2)nc1 ZINC001573861558 950448854 /nfs/dbraw/zinc/44/88/54/950448854.db2.gz AESSMCQVRGOPNG-UHFFFAOYSA-N -1 1 385.388 1.513 20 0 GDADMM CC(C)CC1(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(-c3nn[n-]n3)n2)CCC1 ZINC001574166126 950459989 /nfs/dbraw/zinc/45/99/89/950459989.db2.gz NDMMRIIRXLGHMV-KBPBESRZSA-N -1 1 382.472 1.663 20 0 GDADMM CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001573862482 950468734 /nfs/dbraw/zinc/46/87/34/950468734.db2.gz SKRQJIJRTMDQFI-NEPJUHHUSA-N -1 1 394.457 1.050 20 0 GDADMM CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001573862482 950468765 /nfs/dbraw/zinc/46/87/65/950468765.db2.gz SKRQJIJRTMDQFI-NEPJUHHUSA-N -1 1 394.457 1.050 20 0 GDADMM CC(C)CCC(=O)N(C)C[C@H](O)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001574167312 950481973 /nfs/dbraw/zinc/48/19/73/950481973.db2.gz ABTNITWIPVUHCV-SECBINFHSA-N -1 1 387.897 1.644 20 0 GDADMM CC(C)CCC(=O)N(C)C[C@H](O)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001574167312 950481984 /nfs/dbraw/zinc/48/19/84/950481984.db2.gz ABTNITWIPVUHCV-SECBINFHSA-N -1 1 387.897 1.644 20 0 GDADMM CC(C)CC1(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)[C@@H]2C)CCC1 ZINC001574167666 950488424 /nfs/dbraw/zinc/48/84/24/950488424.db2.gz HFLXWRXPFLFBHX-KGLIPLIRSA-N -1 1 384.488 1.957 20 0 GDADMM CC(C)CC1(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)[C@@H]2C)CCC1 ZINC001574167666 950488437 /nfs/dbraw/zinc/48/84/37/950488437.db2.gz HFLXWRXPFLFBHX-KGLIPLIRSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C)n1cccc1 ZINC001574508914 950489721 /nfs/dbraw/zinc/48/97/21/950489721.db2.gz QGYGDXHEPRJIFK-RBSFLKMASA-N -1 1 395.471 1.298 20 0 GDADMM CC(C)(C)OCC(=O)N1CCC[C@H]2[C@@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001573867401 950531777 /nfs/dbraw/zinc/53/17/77/950531777.db2.gz YPGUDGIDTDRHCS-KBPBESRZSA-N -1 1 386.460 1.042 20 0 GDADMM CC(C)(C)OCC(=O)N1CCC[C@H]2[C@@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001573867401 950531793 /nfs/dbraw/zinc/53/17/93/950531793.db2.gz YPGUDGIDTDRHCS-KBPBESRZSA-N -1 1 386.460 1.042 20 0 GDADMM CC(C)CCC(=O)N1C[C@@H]2CCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@H]2C1 ZINC001574170039 950533135 /nfs/dbraw/zinc/53/31/35/950533135.db2.gz DPHJKNTZSKCHFE-SOUVJXGZSA-N -1 1 384.488 1.554 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cc(Cl)cn1C ZINC001575917009 950556946 /nfs/dbraw/zinc/55/69/46/950556946.db2.gz ULHJLCRYFJGLGL-KOLCDFICSA-N -1 1 387.835 1.364 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cc(Cl)cn1C ZINC001575917009 950556960 /nfs/dbraw/zinc/55/69/60/950556960.db2.gz ULHJLCRYFJGLGL-KOLCDFICSA-N -1 1 387.835 1.364 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C)c1ccco1 ZINC001574511410 950559834 /nfs/dbraw/zinc/55/98/34/950559834.db2.gz KNEDTDJKAYFGGJ-YRGRVCCFSA-N -1 1 382.428 1.384 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C)c1ccco1 ZINC001574511410 950559860 /nfs/dbraw/zinc/55/98/60/950559860.db2.gz KNEDTDJKAYFGGJ-YRGRVCCFSA-N -1 1 382.428 1.384 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc(Cl)s1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574754206 950568615 /nfs/dbraw/zinc/56/86/15/950568615.db2.gz ZZHOOGGNHLYKCK-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc(Cl)s1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574754206 950568635 /nfs/dbraw/zinc/56/86/35/950568635.db2.gz ZZHOOGGNHLYKCK-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575615623 950570988 /nfs/dbraw/zinc/57/09/88/950570988.db2.gz DPCVROGSADRONY-GFCCVEGCSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001574511947 950582844 /nfs/dbraw/zinc/58/28/44/950582844.db2.gz XJLJNCMWQNEEIH-UKRRQHHQSA-N -1 1 378.440 1.545 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574511947 950582863 /nfs/dbraw/zinc/58/28/63/950582863.db2.gz XJLJNCMWQNEEIH-UKRRQHHQSA-N -1 1 378.440 1.545 20 0 GDADMM CC(C)(C)OCC(=O)NCC1(Nc2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC001573870544 950594072 /nfs/dbraw/zinc/59/40/72/950594072.db2.gz HXJRRHBEMLQGAR-UHFFFAOYSA-N -1 1 385.881 1.852 20 0 GDADMM CC(C)(C)OCC(=O)NCC1(Nc2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC001573870544 950594092 /nfs/dbraw/zinc/59/40/92/950594092.db2.gz HXJRRHBEMLQGAR-UHFFFAOYSA-N -1 1 385.881 1.852 20 0 GDADMM CC(C)CCC(=O)N1CCC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CC[C@H]21 ZINC001574173665 950597896 /nfs/dbraw/zinc/59/78/96/950597896.db2.gz KURQMFYTAMXQMI-GOEBONIOSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CCC(=O)N1CCC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CC[C@H]21 ZINC001574173665 950597908 /nfs/dbraw/zinc/59/79/08/950597908.db2.gz KURQMFYTAMXQMI-GOEBONIOSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C)n1cccc1 ZINC001574513233 950600146 /nfs/dbraw/zinc/60/01/46/950600146.db2.gz LAIYUCAUCUQEIM-MJBXVCDLSA-N -1 1 381.444 1.193 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C)n1cccc1 ZINC001574513233 950600164 /nfs/dbraw/zinc/60/01/64/950600164.db2.gz LAIYUCAUCUQEIM-MJBXVCDLSA-N -1 1 381.444 1.193 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cccc(N(C)C)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001574758384 950608991 /nfs/dbraw/zinc/60/89/91/950608991.db2.gz BMJFOSXUOJFZQA-LBPRGKRZSA-N -1 1 381.444 1.295 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cccc(N(C)C)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001574758384 950609003 /nfs/dbraw/zinc/60/90/03/950609003.db2.gz BMJFOSXUOJFZQA-LBPRGKRZSA-N -1 1 381.444 1.295 20 0 GDADMM C[C@H](CNC(=O)c1cc2c(o1)CCCC2)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575000858 950618813 /nfs/dbraw/zinc/61/88/13/950618813.db2.gz HDCADAAFFPJTME-NSHDSACASA-N -1 1 382.428 1.607 20 0 GDADMM C[C@H](CNC(=O)c1cc2c(o1)CCCC2)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575000858 950618838 /nfs/dbraw/zinc/61/88/38/950618838.db2.gz HDCADAAFFPJTME-NSHDSACASA-N -1 1 382.428 1.607 20 0 GDADMM CC1(C)C(C(=O)N[C@H]2CCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)C1(C)C ZINC001575620238 950625712 /nfs/dbraw/zinc/62/57/12/950625712.db2.gz UQAHGQUXOYOKLS-RYUDHWBXSA-N -1 1 384.488 1.600 20 0 GDADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)C1CCC2(CC2)CC1 ZINC001575920533 950632746 /nfs/dbraw/zinc/63/27/46/950632746.db2.gz MJMCEOOONWAROA-TZMCWYRMSA-N -1 1 382.472 1.450 20 0 GDADMM CC1(C)[C@H](NC(=O)CC2CC2)[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)[C@@H]21 ZINC001575622267 950636744 /nfs/dbraw/zinc/63/67/44/950636744.db2.gz AOMJLCFOAMHZDU-JLZZUVOBSA-N -1 1 382.472 1.566 20 0 GDADMM CC1(C)[C@H](NC(=O)CC2CC2)[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)[C@@H]21 ZINC001575622267 950636753 /nfs/dbraw/zinc/63/67/53/950636753.db2.gz AOMJLCFOAMHZDU-JLZZUVOBSA-N -1 1 382.472 1.566 20 0 GDADMM C[C@H](CNC(=O)c1cc2c(o1)CCCC2)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575001916 950647404 /nfs/dbraw/zinc/64/74/04/950647404.db2.gz PFYYYWRFXLJQFB-LLVKDONJSA-N -1 1 382.428 1.383 20 0 GDADMM C[C@H](CNC(=O)c1cc2c(o1)CCCC2)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575001916 950647417 /nfs/dbraw/zinc/64/74/17/950647417.db2.gz PFYYYWRFXLJQFB-LLVKDONJSA-N -1 1 382.428 1.383 20 0 GDADMM C[C@@H](CNC(=O)c1cc2c(s1)CCC2)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575002407 950661715 /nfs/dbraw/zinc/66/17/15/950661715.db2.gz TVGFMQFXXUPOPW-JTQLQIEISA-N -1 1 384.469 1.462 20 0 GDADMM C[C@@H](CNC(=O)c1cc2c(s1)CCC2)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575002407 950661738 /nfs/dbraw/zinc/66/17/38/950661738.db2.gz TVGFMQFXXUPOPW-JTQLQIEISA-N -1 1 384.469 1.462 20 0 GDADMM CC(C)(C)Oc1ccccc1CNS(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001573876127 950661875 /nfs/dbraw/zinc/66/18/75/950661875.db2.gz DTWZRDBYNSEGQE-UHFFFAOYSA-N -1 1 388.453 1.918 20 0 GDADMM CCN1CCN(c2ccc(CNC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)cn2)CC1 ZINC001589744663 950662798 /nfs/dbraw/zinc/66/27/98/950662798.db2.gz ZUFQYFKSBJCMKX-CVEARBPZSA-N -1 1 375.473 1.276 20 0 GDADMM CC1(C)CC(C(=O)N2C[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@@]3(C)C2)C1 ZINC001575624504 950668411 /nfs/dbraw/zinc/66/84/11/950668411.db2.gz JVLJRBYPCFFAIF-YJYMSZOUSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)ccc1Cl)Nc1nccnc1-c1nnn[n-]1 ZINC001575003089 950670973 /nfs/dbraw/zinc/67/09/73/950670973.db2.gz XTAPCAAFSWWROS-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)ccc1Cl)Nc1nccnc1-c1nn[n-]n1 ZINC001575003089 950670986 /nfs/dbraw/zinc/67/09/86/950670986.db2.gz XTAPCAAFSWWROS-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CN(C)C(=O)c1cccc(N(C)C)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574760728 950676990 /nfs/dbraw/zinc/67/69/90/950676990.db2.gz YSIOJPDIOCOFHG-GFCCVEGCSA-N -1 1 381.444 1.295 20 0 GDADMM C[C@H](CN(C)C(=O)c1cccc(N(C)C)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574760728 950677000 /nfs/dbraw/zinc/67/70/00/950677000.db2.gz YSIOJPDIOCOFHG-GFCCVEGCSA-N -1 1 381.444 1.295 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001573877744 950689858 /nfs/dbraw/zinc/68/98/58/950689858.db2.gz FFXZSKZRWRRZSH-KYEXWDHISA-N -1 1 382.472 1.376 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001573877744 950689874 /nfs/dbraw/zinc/68/98/74/950689874.db2.gz FFXZSKZRWRRZSH-KYEXWDHISA-N -1 1 382.472 1.376 20 0 GDADMM CC1(C)[C@H](NC(=O)C2CCC2)[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)[C@@H]21 ZINC001575626271 950703808 /nfs/dbraw/zinc/70/38/08/950703808.db2.gz XTQJSWXGVHDRGQ-WQVCFCJDSA-N -1 1 382.472 1.566 20 0 GDADMM CC1(C)[C@H](NC(=O)C2CCC2)[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)[C@@H]21 ZINC001575626271 950703820 /nfs/dbraw/zinc/70/38/20/950703820.db2.gz XTQJSWXGVHDRGQ-WQVCFCJDSA-N -1 1 382.472 1.566 20 0 GDADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cccc(Cl)c1 ZINC001575926270 950706432 /nfs/dbraw/zinc/70/64/32/950706432.db2.gz XELPCHRPFKTIRJ-GWCFXTLKSA-N -1 1 384.831 1.447 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NCC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573878398 950709252 /nfs/dbraw/zinc/70/92/52/950709252.db2.gz PEADKCZRJLREOS-BFHYXJOUSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NCC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573878398 950709261 /nfs/dbraw/zinc/70/92/61/950709261.db2.gz PEADKCZRJLREOS-BFHYXJOUSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)COc1ccccc1 ZINC001575926415 950709419 /nfs/dbraw/zinc/70/94/19/950709419.db2.gz JWPFGTVFSXKPSN-GXTWGEPZSA-N -1 1 380.412 1.137 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)COc1ccccc1 ZINC001575926415 950709431 /nfs/dbraw/zinc/70/94/31/950709431.db2.gz JWPFGTVFSXKPSN-GXTWGEPZSA-N -1 1 380.412 1.137 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CC(C1CC1)C1CC1 ZINC001575926531 950713515 /nfs/dbraw/zinc/71/35/15/950713515.db2.gz XNPJZVLXRNRURY-ABAIWWIYSA-N -1 1 382.472 1.306 20 0 GDADMM C[C@H](CN(C)C(=O)c1cnc(C2CC2)s1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574763497 950716420 /nfs/dbraw/zinc/71/64/20/950716420.db2.gz CHHPAPGUMDGKOI-SECBINFHSA-N -1 1 385.457 1.563 20 0 GDADMM C[C@H](CN(C)C(=O)c1cnc(C2CC2)s1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574763497 950716429 /nfs/dbraw/zinc/71/64/29/950716429.db2.gz CHHPAPGUMDGKOI-SECBINFHSA-N -1 1 385.457 1.563 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576215913 950719031 /nfs/dbraw/zinc/71/90/31/950719031.db2.gz CFIXPPPQYJCFAF-GHMZBOCLSA-N -1 1 392.414 1.020 20 0 GDADMM CC1(C)CC(C(=O)NC[C@@]2(C)CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001575629935 950754461 /nfs/dbraw/zinc/75/44/61/950754461.db2.gz VGUJQFSRJZMGIE-LJQANCHMSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C)CC(C(=O)N[C@@]23CCC[C@@H]2N(c2cnc(-c4nnn[n-]4)cn2)CC3)C1 ZINC001575630006 950754769 /nfs/dbraw/zinc/75/47/69/950754769.db2.gz YCWJULGTQIUFQT-IFXJQAMLSA-N -1 1 382.472 1.711 20 0 GDADMM CC1(C)CC(C(=O)N[C@@]23CCC[C@@H]2N(c2cnc(-c4nn[n-]n4)cn2)CC3)C1 ZINC001575630006 950754779 /nfs/dbraw/zinc/75/47/79/950754779.db2.gz YCWJULGTQIUFQT-IFXJQAMLSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H](CN(C)C(=O)c1nc(Cl)cs1)Nc1nccnc1-c1nnn[n-]1 ZINC001574765256 950781778 /nfs/dbraw/zinc/78/17/78/950781778.db2.gz GZNYHMKACUKPMK-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CN(C)C(=O)c1nc(Cl)cs1)Nc1nccnc1-c1nn[n-]n1 ZINC001574765256 950781787 /nfs/dbraw/zinc/78/17/87/950781787.db2.gz GZNYHMKACUKPMK-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ncsc1C1CC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574765593 950792380 /nfs/dbraw/zinc/79/23/80/950792380.db2.gz FHZTWCGLICEAJT-VIFPVBQESA-N -1 1 385.457 1.563 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ncsc1C1CC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574765593 950792390 /nfs/dbraw/zinc/79/23/90/950792390.db2.gz FHZTWCGLICEAJT-VIFPVBQESA-N -1 1 385.457 1.563 20 0 GDADMM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001574185285 950798639 /nfs/dbraw/zinc/79/86/39/950798639.db2.gz XGWYFFIYGASNCZ-OCCSQVGLSA-N -1 1 389.460 1.240 20 0 GDADMM C[C@@H]1[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCN1C(=O)c1ncccn1 ZINC001575931093 950802177 /nfs/dbraw/zinc/80/21/77/950802177.db2.gz GTZMIBQFBAJFMP-HTQZYQBOSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cc(C(F)F)n[nH]1 ZINC001575931530 950811796 /nfs/dbraw/zinc/81/17/96/950811796.db2.gz IMUVCNVJGRFJSM-JGVFFNPUSA-N -1 1 390.358 1.033 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(C(F)F)n[nH]1 ZINC001575931530 950811813 /nfs/dbraw/zinc/81/18/13/950811813.db2.gz IMUVCNVJGRFJSM-JGVFFNPUSA-N -1 1 390.358 1.033 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccc2nccn2c1 ZINC001575932709 950826210 /nfs/dbraw/zinc/82/62/10/950826210.db2.gz LVRUUEZZTARBPE-WCQYABFASA-N -1 1 390.411 1.020 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc2nccn2c1 ZINC001575932709 950826236 /nfs/dbraw/zinc/82/62/36/950826236.db2.gz LVRUUEZZTARBPE-WCQYABFASA-N -1 1 390.411 1.020 20 0 GDADMM C[C@@H](CN(C)C(=O)c1coc(C2CCC2)n1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574766864 950831562 /nfs/dbraw/zinc/83/15/62/950831562.db2.gz NIPPCRSKOKGWSR-JTQLQIEISA-N -1 1 383.416 1.485 20 0 GDADMM C[C@@H](CN(C)C(=O)c1coc(C2CCC2)n1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574766864 950831590 /nfs/dbraw/zinc/83/15/90/950831590.db2.gz NIPPCRSKOKGWSR-JTQLQIEISA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)CCCC(=O)N1CCC(O)(CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574187446 950833799 /nfs/dbraw/zinc/83/37/99/950833799.db2.gz PRAYUDOMZYXVHY-UHFFFAOYSA-N -1 1 388.476 1.248 20 0 GDADMM CC(C)CCCC(=O)N1CCC(O)(CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574187446 950833819 /nfs/dbraw/zinc/83/38/19/950833819.db2.gz PRAYUDOMZYXVHY-UHFFFAOYSA-N -1 1 388.476 1.248 20 0 GDADMM CC(C)CCCC(=O)N1CCC[C@](CO)(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574187427 950835206 /nfs/dbraw/zinc/83/52/06/950835206.db2.gz PJFFBIIBRCEKBR-SFHVURJKSA-N -1 1 388.476 1.248 20 0 GDADMM CC(C)CCCC(=O)N1CCC[C@](CO)(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574187427 950835222 /nfs/dbraw/zinc/83/52/22/950835222.db2.gz PJFFBIIBRCEKBR-SFHVURJKSA-N -1 1 388.476 1.248 20 0 GDADMM C[C@H]1[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)CCN1C(=O)Cc1ccc[nH]1 ZINC001575933647 950844406 /nfs/dbraw/zinc/84/44/06/950844406.db2.gz OXQRRSRAOWPQQY-WCBMZHEXSA-N -1 1 392.876 1.949 20 0 GDADMM C[C@H]1[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCN1C(=O)Cc1ccc[nH]1 ZINC001575933647 950844428 /nfs/dbraw/zinc/84/44/28/950844428.db2.gz OXQRRSRAOWPQQY-WCBMZHEXSA-N -1 1 392.876 1.949 20 0 GDADMM CC(C)CCCC(=O)N1CCC[C@](CO)(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574188649 950856999 /nfs/dbraw/zinc/85/69/99/950856999.db2.gz YPQGVRGVQWIKBW-SFHVURJKSA-N -1 1 388.476 1.248 20 0 GDADMM CC(C)CCCC(=O)N1CCC[C@](CO)(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574188649 950857017 /nfs/dbraw/zinc/85/70/17/950857017.db2.gz YPQGVRGVQWIKBW-SFHVURJKSA-N -1 1 388.476 1.248 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1nc(Cl)cs1 ZINC001575934991 950867681 /nfs/dbraw/zinc/86/76/81/950867681.db2.gz UFTBCKIRHPEFHV-YUMQZZPRSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1nc(Cl)cs1 ZINC001575934991 950867693 /nfs/dbraw/zinc/86/76/93/950867693.db2.gz UFTBCKIRHPEFHV-YUMQZZPRSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cc(C2CC2)on1 ZINC001575935443 950876886 /nfs/dbraw/zinc/87/68/86/950876886.db2.gz WLLUPCDQJQUVAF-MWLCHTKSSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(C2CC2)on1 ZINC001575935443 950876894 /nfs/dbraw/zinc/87/68/94/950876894.db2.gz WLLUPCDQJQUVAF-MWLCHTKSSA-N -1 1 381.400 1.237 20 0 GDADMM CC1(C)C[C@H](NC(=O)c2ccon2)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575640421 950889580 /nfs/dbraw/zinc/88/95/80/950889580.db2.gz HDTNOUMULYKKGO-LLVKDONJSA-N -1 1 383.416 1.070 20 0 GDADMM CC1(C)C[C@H](NC(=O)c2ccon2)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575640421 950889600 /nfs/dbraw/zinc/88/96/00/950889600.db2.gz HDTNOUMULYKKGO-LLVKDONJSA-N -1 1 383.416 1.070 20 0 GDADMM CC(C)CCCC(=O)N[C@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001574189747 950899157 /nfs/dbraw/zinc/89/91/57/950899157.db2.gz RKZPPLLQCDLWSQ-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CN(C(=O)C2CC3(CC3)C2)CC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576227295 950904229 /nfs/dbraw/zinc/90/42/29/950904229.db2.gz FOCXUHMAKAMYSM-QWHCGFSZSA-N -1 1 382.472 1.165 20 0 GDADMM CC(C)CCCC(=O)NC[C@@H](CO)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574190370 950912105 /nfs/dbraw/zinc/91/21/05/950912105.db2.gz XJKMNTNCWSXWOY-VIFPVBQESA-N -1 1 387.897 1.692 20 0 GDADMM C[C@@H]1CN(C(=O)C2CCC(F)(F)CC2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576228404 950942991 /nfs/dbraw/zinc/94/29/91/950942991.db2.gz JXFMWNAELFUNRJ-ZWNOBZJWSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H]1CN(C(=O)C2CCC(F)(F)CC2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576228404 950943007 /nfs/dbraw/zinc/94/30/07/950943007.db2.gz JXFMWNAELFUNRJ-ZWNOBZJWSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576228552 950944189 /nfs/dbraw/zinc/94/41/89/950944189.db2.gz HPZYHHTVQHSEOV-UWVGGRQHSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576228552 950944205 /nfs/dbraw/zinc/94/42/05/950944205.db2.gz HPZYHHTVQHSEOV-UWVGGRQHSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@H]1CN(C(=O)C2(CF)CCC2)CC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576228599 950950175 /nfs/dbraw/zinc/95/01/75/950950175.db2.gz HVYPXTLEQMAVDL-QWHCGFSZSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@H]1CN(C(=O)C2(CF)CCC2)CC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576228599 950950188 /nfs/dbraw/zinc/95/01/88/950950188.db2.gz HVYPXTLEQMAVDL-QWHCGFSZSA-N -1 1 388.451 1.693 20 0 GDADMM CC(C)(CC(=O)NC[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)C1CC1 ZINC001573897196 950956452 /nfs/dbraw/zinc/95/64/52/950956452.db2.gz LUFUGHOGQGXFAO-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(CC(=O)NC[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001573897196 950956458 /nfs/dbraw/zinc/95/64/58/950956458.db2.gz LUFUGHOGQGXFAO-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(CC(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1)C1CC1 ZINC001573897310 950961288 /nfs/dbraw/zinc/96/12/88/950961288.db2.gz OEVFTVNYROMTIU-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(CC(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1)C1CC1 ZINC001573897310 950961311 /nfs/dbraw/zinc/96/13/11/950961311.db2.gz OEVFTVNYROMTIU-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(CC(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)C1CC1 ZINC001573898100 950970908 /nfs/dbraw/zinc/97/09/08/950970908.db2.gz WOHCIAOCKRRSMN-ZSOGYDGISA-N -1 1 382.472 1.281 20 0 GDADMM CC(C)(CC(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)C1CC1 ZINC001573898100 950970921 /nfs/dbraw/zinc/97/09/21/950970921.db2.gz WOHCIAOCKRRSMN-ZSOGYDGISA-N -1 1 382.472 1.281 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)CCCCCC2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576229543 950975458 /nfs/dbraw/zinc/97/54/58/950975458.db2.gz KEKCQMKJSXLOPZ-ZIAGYGMSSA-N -1 1 384.488 1.698 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1csc(Cl)n1 ZINC001575938462 950981436 /nfs/dbraw/zinc/98/14/36/950981436.db2.gz NTPUTAITZOOZNM-JGVFFNPUSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1csc(Cl)n1 ZINC001575938462 950981457 /nfs/dbraw/zinc/98/14/57/950981457.db2.gz NTPUTAITZOOZNM-JGVFFNPUSA-N -1 1 391.848 1.482 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)CC(F)F ZINC001573900229 951005852 /nfs/dbraw/zinc/00/58/52/951005852.db2.gz WOMVUAGYLUZETG-RTUWITSCSA-N -1 1 392.414 1.279 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)CC(F)F ZINC001573900229 951005875 /nfs/dbraw/zinc/00/58/75/951005875.db2.gz WOMVUAGYLUZETG-RTUWITSCSA-N -1 1 392.414 1.279 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(C)(F)F)cc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575018634 951022523 /nfs/dbraw/zinc/02/25/23/951022523.db2.gz NMPHLIDOYPPMRR-SNVBAGLBSA-N -1 1 388.382 1.999 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(C)(F)F)cc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575018634 951022536 /nfs/dbraw/zinc/02/25/36/951022536.db2.gz NMPHLIDOYPPMRR-SNVBAGLBSA-N -1 1 388.382 1.999 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)c(Cl)c1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575021621 951062550 /nfs/dbraw/zinc/06/25/50/951062550.db2.gz DVPQGWUBYLGHIK-SECBINFHSA-N -1 1 390.810 1.349 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)c(Cl)c1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575021623 951062584 /nfs/dbraw/zinc/06/25/84/951062584.db2.gz DVPQGWUBYLGHIK-VIFPVBQESA-N -1 1 390.810 1.349 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)c(Cl)c1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575024258 951094113 /nfs/dbraw/zinc/09/41/13/951094113.db2.gz ZBTRKKNUAXECQI-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)c(Cl)c1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575024258 951094126 /nfs/dbraw/zinc/09/41/26/951094126.db2.gz ZBTRKKNUAXECQI-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM CC(C)Oc1ccc(C(=O)NC[C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)nc1 ZINC001575024611 951109068 /nfs/dbraw/zinc/10/90/68/951109068.db2.gz JFPBITOTUGXQMH-LLVKDONJSA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1ccc(C(=O)NC[C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)nc1 ZINC001575024611 951109073 /nfs/dbraw/zinc/10/90/73/951109073.db2.gz JFPBITOTUGXQMH-LLVKDONJSA-N -1 1 383.416 1.069 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2n[nH]cc2c1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575024848 951118440 /nfs/dbraw/zinc/11/84/40/951118440.db2.gz NZNWTSDTVJCZDE-SNVBAGLBSA-N -1 1 378.400 1.011 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2n[nH]cc2c1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575024848 951118444 /nfs/dbraw/zinc/11/84/44/951118444.db2.gz NZNWTSDTVJCZDE-SNVBAGLBSA-N -1 1 378.400 1.011 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCC2)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575025055 951123175 /nfs/dbraw/zinc/12/31/75/951123175.db2.gz SZPFVVNPFDNHKV-GFCCVEGCSA-N -1 1 378.440 1.400 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCC2)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575025055 951123185 /nfs/dbraw/zinc/12/31/85/951123185.db2.gz SZPFVVNPFDNHKV-GFCCVEGCSA-N -1 1 378.440 1.400 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)C[C@@H](C)O2)Nc1nccnc1-c1nnn[n-]1 ZINC001575025068 951126420 /nfs/dbraw/zinc/12/64/20/951126420.db2.gz UFGHAAJKCXZHEU-WDEREUQCSA-N -1 1 380.412 1.211 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)C[C@@H](C)O2)Nc1nccnc1-c1nn[n-]n1 ZINC001575025068 951126430 /nfs/dbraw/zinc/12/64/30/951126430.db2.gz UFGHAAJKCXZHEU-WDEREUQCSA-N -1 1 380.412 1.211 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCCC2)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575025122 951126652 /nfs/dbraw/zinc/12/66/52/951126652.db2.gz VLAQIHNMTDXCDJ-ZDUSSCGKSA-N -1 1 392.467 1.790 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCCC2)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575025122 951126662 /nfs/dbraw/zinc/12/66/62/951126662.db2.gz VLAQIHNMTDXCDJ-ZDUSSCGKSA-N -1 1 392.467 1.790 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)C[C@H](C)O2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575025200 951127615 /nfs/dbraw/zinc/12/76/15/951127615.db2.gz XBYNANZMINUVNF-MNOVXSKESA-N -1 1 380.412 1.211 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)C[C@H](C)O2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575025200 951127622 /nfs/dbraw/zinc/12/76/22/951127622.db2.gz XBYNANZMINUVNF-MNOVXSKESA-N -1 1 380.412 1.211 20 0 GDADMM CC(C)Oc1ccc(C(=O)NC[C@@H](C)Nc2nccnc2-c2nnn[n-]2)cn1 ZINC001575025509 951133632 /nfs/dbraw/zinc/13/36/32/951133632.db2.gz ZZKZWEAVBAQOPL-LLVKDONJSA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1ccc(C(=O)NC[C@@H](C)Nc2nccnc2-c2nn[n-]n2)cn1 ZINC001575025509 951133640 /nfs/dbraw/zinc/13/36/40/951133640.db2.gz ZZKZWEAVBAQOPL-LLVKDONJSA-N -1 1 383.416 1.069 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(C(F)F)c1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575026625 951145796 /nfs/dbraw/zinc/14/57/96/951145796.db2.gz LLUAAFXVXORZBY-JTQLQIEISA-N -1 1 388.382 1.849 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(C(F)F)c1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575026625 951145805 /nfs/dbraw/zinc/14/58/05/951145805.db2.gz LLUAAFXVXORZBY-JTQLQIEISA-N -1 1 388.382 1.849 20 0 GDADMM C[C@H](CNC(=O)c1cccc(Cl)c1F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575026752 951147583 /nfs/dbraw/zinc/14/75/83/951147583.db2.gz MZNBAAJNGFXOKW-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CNC(=O)c1cccc(Cl)c1F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575026752 951147591 /nfs/dbraw/zinc/14/75/91/951147591.db2.gz MZNBAAJNGFXOKW-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(N(C)C)c1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575027691 951162434 /nfs/dbraw/zinc/16/24/34/951162434.db2.gz HYRBBCXERRTLSN-GFCCVEGCSA-N -1 1 381.444 1.201 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(N(C)C)c1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575027691 951162442 /nfs/dbraw/zinc/16/24/42/951162442.db2.gz HYRBBCXERRTLSN-GFCCVEGCSA-N -1 1 381.444 1.201 20 0 GDADMM CC(C)Oc1cccc(C(=O)NC[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)n1 ZINC001575027674 951163326 /nfs/dbraw/zinc/16/33/26/951163326.db2.gz HXBIQBRHRUUYRZ-LLVKDONJSA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1cccc(C(=O)NC[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)n1 ZINC001575027674 951163336 /nfs/dbraw/zinc/16/33/36/951163336.db2.gz HXBIQBRHRUUYRZ-LLVKDONJSA-N -1 1 383.416 1.069 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(F)c1Cl)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575028238 951172903 /nfs/dbraw/zinc/17/29/03/951172903.db2.gz MSKPFFDSURKAOU-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(F)c1Cl)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575028238 951172909 /nfs/dbraw/zinc/17/29/09/951172909.db2.gz MSKPFFDSURKAOU-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CNC(=O)c1cccc(F)c1Cl)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575029039 951181494 /nfs/dbraw/zinc/18/14/94/951181494.db2.gz RKCVAEJPBWJJDJ-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CNC(=O)c1cccc(F)c1Cl)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575029039 951181499 /nfs/dbraw/zinc/18/14/99/951181499.db2.gz RKCVAEJPBWJJDJ-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CNC(=O)c1cccc2c1O[C@@H](C)C2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575029306 951184965 /nfs/dbraw/zinc/18/49/65/951184965.db2.gz SMWHTMHYGSRISF-MNOVXSKESA-N -1 1 380.412 1.211 20 0 GDADMM C[C@H](CNC(=O)c1cccc2c1O[C@@H](C)C2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575029306 951184976 /nfs/dbraw/zinc/18/49/76/951184976.db2.gz SMWHTMHYGSRISF-MNOVXSKESA-N -1 1 380.412 1.211 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2c1OCC2)CNc1nccnc1-c1nnn[n-]1 ZINC001575029884 951190007 /nfs/dbraw/zinc/19/00/07/951190007.db2.gz YJAGVRRACZOIHO-LLVKDONJSA-N -1 1 380.412 1.070 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2c1OCC2)CNc1nccnc1-c1nn[n-]n1 ZINC001575029884 951190012 /nfs/dbraw/zinc/19/00/12/951190012.db2.gz YJAGVRRACZOIHO-LLVKDONJSA-N -1 1 380.412 1.070 20 0 GDADMM C[C@H](CNC(=O)c1cccnn1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575031937 951209996 /nfs/dbraw/zinc/20/99/96/951209996.db2.gz MKXYNHMPPABSAM-SSDOTTSWSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@H](CNC(=O)c1cccnn1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575031937 951210001 /nfs/dbraw/zinc/21/00/01/951210001.db2.gz MKXYNHMPPABSAM-SSDOTTSWSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@H](CNC(=O)c1cccnc1C(F)F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575032213 951218736 /nfs/dbraw/zinc/21/87/36/951218736.db2.gz UEDPNXAOQVPLKC-MRVPVSSYSA-N -1 1 375.343 1.220 20 0 GDADMM C[C@H](CNC(=O)c1cccnc1C(F)F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575032213 951218747 /nfs/dbraw/zinc/21/87/47/951218747.db2.gz UEDPNXAOQVPLKC-MRVPVSSYSA-N -1 1 375.343 1.220 20 0 GDADMM C[C@H](CNC(=O)c1ccnnc1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575034455 951248207 /nfs/dbraw/zinc/24/82/07/951248207.db2.gz NEADFGRPGDVMGH-SSDOTTSWSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@H](CNC(=O)c1ccnnc1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575034455 951248215 /nfs/dbraw/zinc/24/82/15/951248215.db2.gz NEADFGRPGDVMGH-SSDOTTSWSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@H](CNC(=O)c1ccnn1C)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575035302 951272172 /nfs/dbraw/zinc/27/21/72/951272172.db2.gz VXZNOAAGEOGRAR-SSDOTTSWSA-N -1 1 381.853 1.188 20 0 GDADMM C[C@@H](CNC(=O)c1ccn(C)c1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575036445 951294183 /nfs/dbraw/zinc/29/41/83/951294183.db2.gz RUYKELFWINSANR-QMMMGPOBSA-N -1 1 380.865 1.570 20 0 GDADMM CC(C)n1ncc(C(=O)NC[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)c1Cl ZINC001575052180 951458799 /nfs/dbraw/zinc/45/87/99/951458799.db2.gz FMDLUEUPXUQHKP-SECBINFHSA-N -1 1 390.839 1.318 20 0 GDADMM CC(C)n1ncc(C(=O)NC[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)c1Cl ZINC001575052180 951458803 /nfs/dbraw/zinc/45/88/03/951458803.db2.gz FMDLUEUPXUQHKP-SECBINFHSA-N -1 1 390.839 1.318 20 0 GDADMM C[C@H](CNC(=O)c1cnn(C(C)(C)C)c1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575052767 951471873 /nfs/dbraw/zinc/47/18/73/951471873.db2.gz NWUVBNJYIGPUDR-NSHDSACASA-N -1 1 384.448 1.086 20 0 GDADMM C[C@H](CNC(=O)c1cnn(C(C)(C)C)c1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575052767 951471881 /nfs/dbraw/zinc/47/18/81/951471881.db2.gz NWUVBNJYIGPUDR-NSHDSACASA-N -1 1 384.448 1.086 20 0 GDADMM C[C@@H](CNC(=O)c1conc1C1CCCC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575056689 951522255 /nfs/dbraw/zinc/52/22/55/951522255.db2.gz LOQXYHHHPHWEOR-JTQLQIEISA-N -1 1 383.416 1.533 20 0 GDADMM C[C@@H](CNC(=O)c1conc1C1CCCC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575056689 951522261 /nfs/dbraw/zinc/52/22/61/951522261.db2.gz LOQXYHHHPHWEOR-JTQLQIEISA-N -1 1 383.416 1.533 20 0 GDADMM C[C@@H](CNC(=O)c1coc(C(C)(C)C)n1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575056682 951522578 /nfs/dbraw/zinc/52/25/78/951522578.db2.gz LJFFMFFUPSJMOM-JTQLQIEISA-N -1 1 385.432 1.197 20 0 GDADMM C[C@@H](CNC(=O)c1coc(C(C)(C)C)n1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575056682 951522586 /nfs/dbraw/zinc/52/25/86/951522586.db2.gz LJFFMFFUPSJMOM-JTQLQIEISA-N -1 1 385.432 1.197 20 0 GDADMM C[C@@H](CNC(=O)c1csc(Cl)c1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575058935 951537864 /nfs/dbraw/zinc/53/78/64/951537864.db2.gz WVFXSSHQVCKDRB-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@H](CNC(=O)c1nc(C(C)(C)C)cs1)Nc1nccnc1-c1nnn[n-]1 ZINC001575060888 951553366 /nfs/dbraw/zinc/55/33/66/951553366.db2.gz IZPYNOXJZRCQKE-SECBINFHSA-N -1 1 387.473 1.641 20 0 GDADMM C[C@H](CNC(=O)c1nc(C(C)(C)C)cs1)Nc1nccnc1-c1nn[n-]n1 ZINC001575060888 951553375 /nfs/dbraw/zinc/55/33/75/951553375.db2.gz IZPYNOXJZRCQKE-SECBINFHSA-N -1 1 387.473 1.641 20 0 GDADMM O=C([O-])CN1CC[C@H](N2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)C1=O ZINC001595071671 951599561 /nfs/dbraw/zinc/59/95/61/951599561.db2.gz GUIJAJIJQCFEOM-AWEZNQCLSA-N -1 1 395.843 1.382 20 0 GDADMM CC(C)Oc1cccnc1C(=O)NC[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575067974 951628088 /nfs/dbraw/zinc/62/80/88/951628088.db2.gz UBPNUSYASQLFOE-LLVKDONJSA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1cccnc1C(=O)NC[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575067974 951628091 /nfs/dbraw/zinc/62/80/91/951628091.db2.gz UBPNUSYASQLFOE-LLVKDONJSA-N -1 1 383.416 1.069 20 0 GDADMM C[C@H](CNC(=O)c1scnc1Cl)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575070151 951649119 /nfs/dbraw/zinc/64/91/19/951649119.db2.gz OCRJKHHIKHNUTA-SSDOTTSWSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@H](CNC(=O)c1scnc1Cl)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575070151 951649126 /nfs/dbraw/zinc/64/91/26/951649126.db2.gz OCRJKHHIKHNUTA-SSDOTTSWSA-N -1 1 379.837 1.021 20 0 GDADMM O=C([O-])CN1CCC[C@@H](C(=O)N2CCc3nc[nH]c3[C@@H]2c2ccccc2)C1=O ZINC001595081483 951684549 /nfs/dbraw/zinc/68/45/49/951684549.db2.gz AKJLUSBQGPPUCF-KDOFPFPSSA-N -1 1 382.420 1.207 20 0 GDADMM O=C([O-])CN1CCCC[C@@H](NCc2cc3c(c(Br)c2)OCO3)C1=O ZINC001595095662 951811381 /nfs/dbraw/zinc/81/13/81/951811381.db2.gz HOGCSVRWYNCPQO-GFCCVEGCSA-N -1 1 399.241 1.733 20 0 GDADMM O=C([O-])CN1CCCC[C@@H](NS(=O)(=O)c2c(Cl)ccc(F)c2F)C1=O ZINC001595095900 951813649 /nfs/dbraw/zinc/81/36/49/951813649.db2.gz BBMDTGAOWKNBCU-SNVBAGLBSA-N -1 1 396.799 1.362 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@@]2(CCCCN2[C@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC001602889156 971792301 /nfs/dbraw/zinc/79/23/01/971792301.db2.gz QDILCDIBIONEDA-YWZLYKJASA-N -1 1 395.500 1.928 20 0 GDADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)[C@H]1Cc2ccccc21)C1CC1 ZINC001575123604 952016853 /nfs/dbraw/zinc/01/68/53/952016853.db2.gz BFHAZBAWCCYUHP-MGPUTAFESA-N -1 1 390.451 1.693 20 0 GDADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)[C@H]1Cc2ccccc21)C1CC1 ZINC001575123604 952016864 /nfs/dbraw/zinc/01/68/64/952016864.db2.gz BFHAZBAWCCYUHP-MGPUTAFESA-N -1 1 390.451 1.693 20 0 GDADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)c1ccoc1Cl)C1CC1 ZINC001575123694 952020198 /nfs/dbraw/zinc/02/01/98/952020198.db2.gz BYQHVWXHFBVHFC-INIZCTEOSA-N -1 1 388.819 1.914 20 0 GDADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)c1ccoc1Cl)C1CC1 ZINC001575123694 952020211 /nfs/dbraw/zinc/02/02/11/952020211.db2.gz BYQHVWXHFBVHFC-INIZCTEOSA-N -1 1 388.819 1.914 20 0 GDADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)[C@@H]1CCC(F)(F)C1)C1CC1 ZINC001575127932 952061639 /nfs/dbraw/zinc/06/16/39/952061639.db2.gz DNDQLHWNCJVBQZ-HWPZZCPQSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)[C@@H]1CCC(F)(F)C1)C1CC1 ZINC001575127932 952061648 /nfs/dbraw/zinc/06/16/48/952061648.db2.gz DNDQLHWNCJVBQZ-HWPZZCPQSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)CCc1ccco1)C1CC1 ZINC001575129715 952086188 /nfs/dbraw/zinc/08/61/88/952086188.db2.gz ZKHWFJFTSDZYAS-SFHVURJKSA-N -1 1 382.428 1.579 20 0 GDADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)CCc1ccco1)C1CC1 ZINC001575129715 952086197 /nfs/dbraw/zinc/08/61/97/952086197.db2.gz ZKHWFJFTSDZYAS-SFHVURJKSA-N -1 1 382.428 1.579 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)Cc1ccc2c(c1)CCC2 ZINC001575134069 952106949 /nfs/dbraw/zinc/10/69/49/952106949.db2.gz LXJYZTRMWYPBEF-CYBMUJFWSA-N -1 1 392.467 1.647 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)Cc1ccc2c(c1)CCC2 ZINC001575134069 952106957 /nfs/dbraw/zinc/10/69/57/952106957.db2.gz LXJYZTRMWYPBEF-CYBMUJFWSA-N -1 1 392.467 1.647 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)C(C)(C)[C@@H]1CCCCO1 ZINC001575135425 952118141 /nfs/dbraw/zinc/11/81/41/952118141.db2.gz RLCVPQTYQHHUDJ-OCCSQVGLSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)C(C)(C)[C@@H]1CCCCO1 ZINC001575135425 952118151 /nfs/dbraw/zinc/11/81/51/952118151.db2.gz RLCVPQTYQHHUDJ-OCCSQVGLSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ccc(C2CC2)cn1 ZINC001575136818 952129964 /nfs/dbraw/zinc/12/99/64/952129964.db2.gz XILHXMTXBFTKDN-LLVKDONJSA-N -1 1 379.428 1.502 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ccc(C2CC2)cn1 ZINC001575136818 952129969 /nfs/dbraw/zinc/12/99/69/952129969.db2.gz XILHXMTXBFTKDN-LLVKDONJSA-N -1 1 379.428 1.502 20 0 GDADMM CC(C)(C)OC(=O)N1CCN(c2nc(NC3CCC(C(=O)[O-])CC3)n[nH]2)CC1 ZINC001602892906 971806133 /nfs/dbraw/zinc/80/61/33/971806133.db2.gz KOJRSGNJSWRHBU-UHFFFAOYSA-N -1 1 394.476 1.917 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)Cc1ccc(Cl)cc1 ZINC001575142811 952149188 /nfs/dbraw/zinc/14/91/88/952149188.db2.gz MDEABXDMYPPNBF-LLVKDONJSA-N -1 1 386.847 1.234 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C1(C2CCCCC2)CC1 ZINC001575143958 952159356 /nfs/dbraw/zinc/15/93/56/952159356.db2.gz SQRGAPIHAFUXKI-ZDUSSCGKSA-N -1 1 384.488 1.698 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc(C(F)F)o1 ZINC001575144669 952168764 /nfs/dbraw/zinc/16/87/64/952168764.db2.gz KEIWVCQFERIRDH-QMMMGPOBSA-N -1 1 378.343 1.182 20 0 GDADMM CC(C)(C)OC(=O)N1CCO[C@](C(=O)[O-])(C(=O)Nc2ccc3cncn3c2)C1 ZINC001602893417 971810962 /nfs/dbraw/zinc/81/09/62/971810962.db2.gz VUIABQBQVPRLHF-SFHVURJKSA-N -1 1 390.396 1.364 20 0 GDADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)CC[C@H]1CCOC1)C1CC1 ZINC001575147144 952198689 /nfs/dbraw/zinc/19/86/89/952198689.db2.gz RARXBUNUEJSDHI-KPZWWZAWSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)CC[C@H]1CCOC1)C1CC1 ZINC001575147144 952198694 /nfs/dbraw/zinc/19/86/94/952198694.db2.gz RARXBUNUEJSDHI-KPZWWZAWSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)c1cncc(F)c1)C1CC1 ZINC001575153540 952210528 /nfs/dbraw/zinc/21/05/28/952210528.db2.gz IEJXQGHCOYUVSD-QGZVFWFLSA-N -1 1 383.391 1.201 20 0 GDADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)c1cncc(F)c1)C1CC1 ZINC001575153540 952210536 /nfs/dbraw/zinc/21/05/36/952210536.db2.gz IEJXQGHCOYUVSD-QGZVFWFLSA-N -1 1 383.391 1.201 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001575153783 952212789 /nfs/dbraw/zinc/21/27/89/952212789.db2.gz KVDAPCHOZUEFFH-AEGPPILISA-N -1 1 378.440 1.719 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001575153783 952212798 /nfs/dbraw/zinc/21/27/98/952212798.db2.gz KVDAPCHOZUEFFH-AEGPPILISA-N -1 1 378.440 1.719 20 0 GDADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)CCc1ccoc1)C1CC1 ZINC001575153735 952213200 /nfs/dbraw/zinc/21/32/00/952213200.db2.gz KHDNOUFTYPRJKN-SFHVURJKSA-N -1 1 382.428 1.579 20 0 GDADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)CCc1ccoc1)C1CC1 ZINC001575153735 952213205 /nfs/dbraw/zinc/21/32/05/952213205.db2.gz KHDNOUFTYPRJKN-SFHVURJKSA-N -1 1 382.428 1.579 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)Cc1cccc(F)c1F ZINC001575153990 952215411 /nfs/dbraw/zinc/21/54/11/952215411.db2.gz NCHALRHJHMYKNN-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)Cc1cccc(F)c1F ZINC001575153990 952215416 /nfs/dbraw/zinc/21/54/16/952215416.db2.gz NCHALRHJHMYKNN-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)C[C@@H]1CCC(F)(F)C1 ZINC001575155429 952238114 /nfs/dbraw/zinc/23/81/14/952238114.db2.gz YETRGQUEXRXXFQ-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)C[C@@H]1CCC(F)(F)C1 ZINC001575155429 952238117 /nfs/dbraw/zinc/23/81/17/952238117.db2.gz YETRGQUEXRXXFQ-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)CCc1ccco1)C1CC1 ZINC001575155450 952240485 /nfs/dbraw/zinc/24/04/85/952240485.db2.gz YOBCSGUIFBOIQA-SFHVURJKSA-N -1 1 382.428 1.579 20 0 GDADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)CCc1ccco1)C1CC1 ZINC001575155450 952240490 /nfs/dbraw/zinc/24/04/90/952240490.db2.gz YOBCSGUIFBOIQA-SFHVURJKSA-N -1 1 382.428 1.579 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001575156075 952249295 /nfs/dbraw/zinc/24/92/95/952249295.db2.gz CAZXSBUYFYAFBZ-KWCYVHTRSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001575156075 952249301 /nfs/dbraw/zinc/24/93/01/952249301.db2.gz CAZXSBUYFYAFBZ-KWCYVHTRSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1coc(C(F)F)c1 ZINC001575156628 952254350 /nfs/dbraw/zinc/25/43/50/952254350.db2.gz GXMDBXCJVNBUKD-QMMMGPOBSA-N -1 1 378.343 1.760 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1coc(C(F)F)c1 ZINC001575156628 952254356 /nfs/dbraw/zinc/25/43/56/952254356.db2.gz GXMDBXCJVNBUKD-QMMMGPOBSA-N -1 1 378.343 1.760 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001575158377 952272121 /nfs/dbraw/zinc/27/21/21/952272121.db2.gz UFLWFBSMJINPQO-FPMFFAJLSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001575158377 952272128 /nfs/dbraw/zinc/27/21/28/952272128.db2.gz UFLWFBSMJINPQO-FPMFFAJLSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)c1ncccn1 ZINC001575166537 952326380 /nfs/dbraw/zinc/32/63/80/952326380.db2.gz XHURNVALGNIAFD-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)c1ncccn1 ZINC001575166537 952326387 /nfs/dbraw/zinc/32/63/87/952326387.db2.gz XHURNVALGNIAFD-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)C1(C(F)(F)F)CCC1 ZINC001575173794 952356695 /nfs/dbraw/zinc/35/66/95/952356695.db2.gz ABZFDIDTDIEESC-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)C1(C(F)(F)F)CCC1 ZINC001575173794 952356702 /nfs/dbraw/zinc/35/67/02/952356702.db2.gz ABZFDIDTDIEESC-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)C[C@@H]1C[C@H]1C1CC1)C1CC1 ZINC001575174349 952369053 /nfs/dbraw/zinc/36/90/53/952369053.db2.gz MTHDHKWKJXOJEM-PTAUBWNISA-N -1 1 382.472 1.790 20 0 GDADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)C[C@@H]1C[C@H]1C1CC1)C1CC1 ZINC001575174349 952369059 /nfs/dbraw/zinc/36/90/59/952369059.db2.gz MTHDHKWKJXOJEM-PTAUBWNISA-N -1 1 382.472 1.790 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)CCOc1ccccc1 ZINC001575174911 952380849 /nfs/dbraw/zinc/38/08/49/952380849.db2.gz UDSPWCDJUYWMBV-CYBMUJFWSA-N -1 1 382.428 1.385 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)CCOc1ccccc1 ZINC001575174911 952380856 /nfs/dbraw/zinc/38/08/56/952380856.db2.gz UDSPWCDJUYWMBV-CYBMUJFWSA-N -1 1 382.428 1.385 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)Cc1ccon1 ZINC001575176633 952396387 /nfs/dbraw/zinc/39/63/87/952396387.db2.gz FHBDJCXOLJOUOI-SSDOTTSWSA-N -1 1 382.837 1.466 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)Cc1ccon1 ZINC001575176633 952396393 /nfs/dbraw/zinc/39/63/93/952396393.db2.gz FHBDJCXOLJOUOI-SSDOTTSWSA-N -1 1 382.837 1.466 20 0 GDADMM C[C@@H](CS(=O)(=O)N1CCN(c2ccsc2-c2nn[n-]n2)CC1)C1CC1 ZINC001575186058 952437332 /nfs/dbraw/zinc/43/73/32/952437332.db2.gz YHWKLAXLRKBPKZ-NSHDSACASA-N -1 1 382.515 1.426 20 0 GDADMM C[C@H](Cc1ccc(F)cc1)C(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001575187560 952442882 /nfs/dbraw/zinc/44/28/82/952442882.db2.gz DDWAMMOQFBMEMJ-GFCCVEGCSA-N -1 1 384.419 1.545 20 0 GDADMM C[C@H](Cc1ccc(F)cc1)C(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001575187560 952442884 /nfs/dbraw/zinc/44/28/84/952442884.db2.gz DDWAMMOQFBMEMJ-GFCCVEGCSA-N -1 1 384.419 1.545 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001575197157 952479299 /nfs/dbraw/zinc/47/92/99/952479299.db2.gz OHEGWAJGYPTFQT-LALPHHSUSA-N -1 1 382.428 1.069 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001575197157 952479303 /nfs/dbraw/zinc/47/93/03/952479303.db2.gz OHEGWAJGYPTFQT-LALPHHSUSA-N -1 1 382.428 1.069 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H]1C ZINC001575197335 952483029 /nfs/dbraw/zinc/48/30/29/952483029.db2.gz UFHAVNIQQCFARR-BZPMIXESSA-N -1 1 382.428 1.212 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H]1C ZINC001575197335 952483036 /nfs/dbraw/zinc/48/30/36/952483036.db2.gz UFHAVNIQQCFARR-BZPMIXESSA-N -1 1 382.428 1.212 20 0 GDADMM Cc1nc(N[C@H](CO)c2ccc(Br)cc2)cc(-c2nnn[n-]2)n1 ZINC001571120244 952502323 /nfs/dbraw/zinc/50/23/23/952502323.db2.gz KJSDQVYDZDMGLZ-GFCCVEGCSA-N -1 1 376.218 1.873 20 0 GDADMM Cc1nc(N[C@H](CO)c2ccc(Br)cc2)cc(-c2nn[n-]n2)n1 ZINC001571120244 952502327 /nfs/dbraw/zinc/50/23/27/952502327.db2.gz KJSDQVYDZDMGLZ-GFCCVEGCSA-N -1 1 376.218 1.873 20 0 GDADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCN(C(=O)[C@H]2Cc3ccccc32)C1 ZINC001571120469 952503859 /nfs/dbraw/zinc/50/38/59/952503859.db2.gz NGRCBOKVGOKWHC-HIFRSBDPSA-N -1 1 376.424 1.034 20 0 GDADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCN(C(=O)[C@H]2Cc3ccccc32)C1 ZINC001571120469 952503862 /nfs/dbraw/zinc/50/38/62/952503862.db2.gz NGRCBOKVGOKWHC-HIFRSBDPSA-N -1 1 376.424 1.034 20 0 GDADMM CC[C@@H]1C[C@H](C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)CCO1 ZINC001571122274 952525558 /nfs/dbraw/zinc/52/55/58/952525558.db2.gz IDXWSFUMHDFOKR-DGCLKSJQSA-N -1 1 376.486 1.434 20 0 GDADMM CCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)[C@@H](F)C(C)C)CC1 ZINC001571123676 952531202 /nfs/dbraw/zinc/53/12/02/952531202.db2.gz UCXNTSFPTATEON-ZDUSSCGKSA-N -1 1 376.440 1.256 20 0 GDADMM CS(=O)(=O)CCc1ccc(NC(=O)c2ccsc2-c2nnn[n-]2)cc1 ZINC001571127470 952556581 /nfs/dbraw/zinc/55/65/81/952556581.db2.gz JWOHKIZHPJLCLF-UHFFFAOYSA-N -1 1 377.451 1.768 20 0 GDADMM CS(=O)(=O)CCc1ccc(NC(=O)c2ccsc2-c2nn[n-]n2)cc1 ZINC001571127470 952556583 /nfs/dbraw/zinc/55/65/83/952556583.db2.gz JWOHKIZHPJLCLF-UHFFFAOYSA-N -1 1 377.451 1.768 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001575214626 952564992 /nfs/dbraw/zinc/56/49/92/952564992.db2.gz NFVJDEZDBMRSON-UHFFFAOYSA-N -1 1 380.403 1.423 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001575214626 952564996 /nfs/dbraw/zinc/56/49/96/952564996.db2.gz NFVJDEZDBMRSON-UHFFFAOYSA-N -1 1 380.403 1.423 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001575214732 952566555 /nfs/dbraw/zinc/56/65/55/952566555.db2.gz OOIVCBHSBFEJAL-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001575214732 952566558 /nfs/dbraw/zinc/56/65/58/952566558.db2.gz OOIVCBHSBFEJAL-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001575215514 952569403 /nfs/dbraw/zinc/56/94/03/952569403.db2.gz VFNVDTAZQPEROH-UHFFFAOYSA-N -1 1 380.403 1.741 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001575215514 952569408 /nfs/dbraw/zinc/56/94/08/952569408.db2.gz VFNVDTAZQPEROH-UHFFFAOYSA-N -1 1 380.403 1.741 20 0 GDADMM Cc1cccc(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)[C@H](C)C2)c1 ZINC001571134195 952587778 /nfs/dbraw/zinc/58/77/78/952587778.db2.gz GCBNRAUUXAODHB-HIFRSBDPSA-N -1 1 378.440 1.752 20 0 GDADMM Cc1cccc(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)[C@H](C)C2)c1 ZINC001571134195 952587780 /nfs/dbraw/zinc/58/77/80/952587780.db2.gz GCBNRAUUXAODHB-HIFRSBDPSA-N -1 1 378.440 1.752 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)Cc3ccccc3)[C@@H]2C)n1 ZINC001571134786 952595539 /nfs/dbraw/zinc/59/55/39/952595539.db2.gz LMJUDAOWIOYFHQ-UKRRQHHQSA-N -1 1 378.440 1.609 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)Cc3ccccc3)[C@@H]2C)n1 ZINC001571134786 952595543 /nfs/dbraw/zinc/59/55/43/952595543.db2.gz LMJUDAOWIOYFHQ-UKRRQHHQSA-N -1 1 378.440 1.609 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571134881 952596415 /nfs/dbraw/zinc/59/64/15/952596415.db2.gz MKDNFYLPRKPRJL-HIFRSBDPSA-N -1 1 378.440 1.548 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571134881 952596419 /nfs/dbraw/zinc/59/64/19/952596419.db2.gz MKDNFYLPRKPRJL-HIFRSBDPSA-N -1 1 378.440 1.548 20 0 GDADMM CCc1ccc(C(=O)N2CCC(Nc3cncc(-c4nnn[n-]4)n3)CC2)cc1 ZINC001571134897 952596931 /nfs/dbraw/zinc/59/69/31/952596931.db2.gz NAFKHGGZPDUCSC-UHFFFAOYSA-N -1 1 378.440 1.936 20 0 GDADMM CCc1ccc(C(=O)N2CCC(Nc3cncc(-c4nn[n-]n4)n3)CC2)cc1 ZINC001571134897 952596934 /nfs/dbraw/zinc/59/69/34/952596934.db2.gz NAFKHGGZPDUCSC-UHFFFAOYSA-N -1 1 378.440 1.936 20 0 GDADMM Cc1ccc(C)c(C(=O)N2CC[C@H](N(C)c3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571135275 952601837 /nfs/dbraw/zinc/60/18/37/952601837.db2.gz UWQZFMJPFCIURE-AWEZNQCLSA-N -1 1 378.440 1.624 20 0 GDADMM Cc1ccc(C)c(C(=O)N2CC[C@H](N(C)c3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571135275 952601838 /nfs/dbraw/zinc/60/18/38/952601838.db2.gz UWQZFMJPFCIURE-AWEZNQCLSA-N -1 1 378.440 1.624 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)c2cccc(C)c2)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571135355 952602295 /nfs/dbraw/zinc/60/22/95/952602295.db2.gz UPSCSDYHXLAJOL-GOEBONIOSA-N -1 1 378.440 1.752 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)c2cccc(C)c2)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571135355 952602299 /nfs/dbraw/zinc/60/22/99/952602299.db2.gz UPSCSDYHXLAJOL-GOEBONIOSA-N -1 1 378.440 1.752 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1 ZINC001571135400 952603266 /nfs/dbraw/zinc/60/32/66/952603266.db2.gz VEHBIFBTEKNMKE-AWEZNQCLSA-N -1 1 378.440 1.329 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1 ZINC001571135400 952603269 /nfs/dbraw/zinc/60/32/69/952603269.db2.gz VEHBIFBTEKNMKE-AWEZNQCLSA-N -1 1 378.440 1.329 20 0 GDADMM CCc1ccc(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001571135636 952607080 /nfs/dbraw/zinc/60/70/80/952607080.db2.gz ZQUOBLNWHJWLEU-HNNXBMFYSA-N -1 1 378.440 1.618 20 0 GDADMM CCc1ccc(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001571135636 952607083 /nfs/dbraw/zinc/60/70/83/952607083.db2.gz ZQUOBLNWHJWLEU-HNNXBMFYSA-N -1 1 378.440 1.618 20 0 GDADMM Cn1ccc(C(=O)N2CC[C@@H](Nc3snc(Cl)c3-c3nnn[n-]3)C2)c1 ZINC001571140511 952626330 /nfs/dbraw/zinc/62/63/30/952626330.db2.gz BQTVDNYNFPBQRW-SECBINFHSA-N -1 1 378.849 1.642 20 0 GDADMM Cn1ccc(C(=O)N2CC[C@@H](Nc3snc(Cl)c3-c3nn[n-]n3)C2)c1 ZINC001571140511 952626334 /nfs/dbraw/zinc/62/63/34/952626334.db2.gz BQTVDNYNFPBQRW-SECBINFHSA-N -1 1 378.849 1.642 20 0 GDADMM O=C(CCNC(=O)NCc1ccc(-c2nn[n-]n2)s1)OC1CCCCC1 ZINC001571142001 952637795 /nfs/dbraw/zinc/63/77/95/952637795.db2.gz MXOFIUJDJNFCFL-UHFFFAOYSA-N -1 1 378.458 1.993 20 0 GDADMM O=C(CCc1ccccn1)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571146591 952649860 /nfs/dbraw/zinc/64/98/60/952649860.db2.gz JJLNPPYNYVBSCC-CQSZACIVSA-N -1 1 379.428 1.087 20 0 GDADMM O=C(CCc1ccccn1)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571146591 952649864 /nfs/dbraw/zinc/64/98/64/952649864.db2.gz JJLNPPYNYVBSCC-CQSZACIVSA-N -1 1 379.428 1.087 20 0 GDADMM CC[C@@H]1CN(C(=O)c2cccnc2)CC[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571147396 952661032 /nfs/dbraw/zinc/66/10/32/952661032.db2.gz LZJOJOYWAUASKX-TZMCWYRMSA-N -1 1 379.428 1.405 20 0 GDADMM CC[C@@H]1CN(C(=O)c2cccnc2)CC[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571147396 952661035 /nfs/dbraw/zinc/66/10/35/952661035.db2.gz LZJOJOYWAUASKX-TZMCWYRMSA-N -1 1 379.428 1.405 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](NC(=O)c3ccccn3)CC2)n1 ZINC001571147405 952661088 /nfs/dbraw/zinc/66/10/88/952661088.db2.gz MDKKMYVGBUFFOH-ZDUSSCGKSA-N -1 1 379.428 1.149 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](NC(=O)c3ccccn3)CC2)n1 ZINC001571147405 952661091 /nfs/dbraw/zinc/66/10/91/952661091.db2.gz MDKKMYVGBUFFOH-ZDUSSCGKSA-N -1 1 379.428 1.149 20 0 GDADMM CCc1nc(NC[C@H]2CCN(C(=O)c3ccccn3)C2)cc(-c2nnn[n-]2)n1 ZINC001571147964 952664733 /nfs/dbraw/zinc/66/47/33/952664733.db2.gz SEEZBCWTDUVHAO-GFCCVEGCSA-N -1 1 379.428 1.188 20 0 GDADMM CCc1nc(NC[C@H]2CCN(C(=O)c3ccccn3)C2)cc(-c2nn[n-]n2)n1 ZINC001571147964 952664736 /nfs/dbraw/zinc/66/47/36/952664736.db2.gz SEEZBCWTDUVHAO-GFCCVEGCSA-N -1 1 379.428 1.188 20 0 GDADMM Cc1nc[nH]c1C(=O)N1CC[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571153361 952685848 /nfs/dbraw/zinc/68/58/48/952685848.db2.gz PQHITTDPWCGPSI-ZETCQYMHSA-N -1 1 379.837 1.335 20 0 GDADMM Cc1ccccc1C(F)(F)C[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC001571153629 952687026 /nfs/dbraw/zinc/68/70/26/952687026.db2.gz SDFQDAIYDYJMIN-UHFFFAOYSA-N -1 1 380.380 1.640 20 0 GDADMM CN(c1ccnc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001571155159 952693612 /nfs/dbraw/zinc/69/36/12/952693612.db2.gz JHZIJEXUIRUOLG-YNEHKIRRSA-N -1 1 380.412 1.091 20 0 GDADMM C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1CNc1ncccc1-c1nn[nH]n1 ZINC001571155343 952695637 /nfs/dbraw/zinc/69/56/37/952695637.db2.gz OSQJHCWIOVULSG-NWDGAFQWSA-N -1 1 380.412 1.183 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C(C)(F)F)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571155333 952696083 /nfs/dbraw/zinc/69/60/83/952696083.db2.gz OGTWENVIYGEBCK-ONGXEEELSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C(C)(F)F)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571155333 952696084 /nfs/dbraw/zinc/69/60/84/952696084.db2.gz OGTWENVIYGEBCK-ONGXEEELSA-N -1 1 380.403 1.597 20 0 GDADMM CC(C)(C(=O)N1CC[C@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1)C(F)F ZINC001571155307 952696124 /nfs/dbraw/zinc/69/61/24/952696124.db2.gz NLMJHPWOUMNRCO-MRXNPFEDSA-N -1 1 380.403 1.020 20 0 GDADMM C[C@H]1CC[C@H](NC(=O)c2ccccc2O)CN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571155499 952697711 /nfs/dbraw/zinc/69/77/11/952697711.db2.gz UPMBXBSGUNYPLK-RYUDHWBXSA-N -1 1 380.412 1.150 20 0 GDADMM O=C(c1cccc(F)c1)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001571155722 952698781 /nfs/dbraw/zinc/69/87/81/952698781.db2.gz YMDRZRIKXZTDAB-OKILXGFUSA-N -1 1 380.387 1.289 20 0 GDADMM O=C(c1cccc(F)c1)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001571155722 952698784 /nfs/dbraw/zinc/69/87/84/952698784.db2.gz YMDRZRIKXZTDAB-OKILXGFUSA-N -1 1 380.387 1.289 20 0 GDADMM Cc1cccc(C(=O)N2C[C@H](C)[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001571157228 952707333 /nfs/dbraw/zinc/70/73/33/952707333.db2.gz NPQQCTRDRBIMNS-AAEUAGOBSA-N -1 1 379.428 1.180 20 0 GDADMM Cc1cccc(C(=O)N2C[C@H](C)[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001571157228 952707335 /nfs/dbraw/zinc/70/73/35/952707335.db2.gz NPQQCTRDRBIMNS-AAEUAGOBSA-N -1 1 379.428 1.180 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nnn[n-]2)oc1C ZINC001571157870 952707802 /nfs/dbraw/zinc/70/78/02/952707802.db2.gz BFWZCHMJERTSRY-UPJWGTAASA-N -1 1 380.412 1.406 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nn[n-]n2)oc1C ZINC001571157870 952707805 /nfs/dbraw/zinc/70/78/05/952707805.db2.gz BFWZCHMJERTSRY-UPJWGTAASA-N -1 1 380.412 1.406 20 0 GDADMM COc1ccccc1C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC001571157845 952708307 /nfs/dbraw/zinc/70/83/07/952708307.db2.gz ABLLEKPHZDQTJT-AAEUAGOBSA-N -1 1 380.412 1.380 20 0 GDADMM COc1ccccc1C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)[C@@H]1C ZINC001571157845 952708312 /nfs/dbraw/zinc/70/83/12/952708312.db2.gz ABLLEKPHZDQTJT-AAEUAGOBSA-N -1 1 380.412 1.380 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@H]([C@H](C)Nc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571158110 952709721 /nfs/dbraw/zinc/70/97/21/952709721.db2.gz QZQZDZQBAJMWGA-STQMWFEESA-N -1 1 379.428 1.323 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@H]([C@H](C)Nc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571158110 952709723 /nfs/dbraw/zinc/70/97/23/952709723.db2.gz QZQZDZQBAJMWGA-STQMWFEESA-N -1 1 379.428 1.323 20 0 GDADMM COc1ccc(C(=O)N[C@@]2(C)CCN(c3nccnc3-c3nnn[n-]3)C2)cc1 ZINC001571159011 952716932 /nfs/dbraw/zinc/71/69/32/952716932.db2.gz OZWCGOMJRYHUBV-SFHVURJKSA-N -1 1 380.412 1.064 20 0 GDADMM COc1ccc(C(=O)N[C@@]2(C)CCN(c3nccnc3-c3nn[n-]n3)C2)cc1 ZINC001571159011 952716933 /nfs/dbraw/zinc/71/69/33/952716933.db2.gz OZWCGOMJRYHUBV-SFHVURJKSA-N -1 1 380.412 1.064 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CCC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)ccn1 ZINC001571159755 952722220 /nfs/dbraw/zinc/72/22/20/952722220.db2.gz WHBGNUKROREPNA-KGLIPLIRSA-N -1 1 379.428 1.513 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CCC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)ccn1 ZINC001571159755 952722223 /nfs/dbraw/zinc/72/22/23/952722223.db2.gz WHBGNUKROREPNA-KGLIPLIRSA-N -1 1 379.428 1.513 20 0 GDADMM Cc1cc(C)nc(C(=O)N2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)[C@@H](C)C2)c1 ZINC001571159717 952722339 /nfs/dbraw/zinc/72/23/39/952722339.db2.gz VVHTTWVFBSNGSM-NHYWBVRUSA-N -1 1 379.428 1.241 20 0 GDADMM Cc1cc(C)nc(C(=O)N2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)[C@@H](C)C2)c1 ZINC001571159717 952722343 /nfs/dbraw/zinc/72/23/43/952722343.db2.gz VVHTTWVFBSNGSM-NHYWBVRUSA-N -1 1 379.428 1.241 20 0 GDADMM O=C(c1ccoc1C1CC1)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571160218 952724202 /nfs/dbraw/zinc/72/42/02/952724202.db2.gz FAZUINRQPUSZKM-GFCCVEGCSA-N -1 1 380.412 1.844 20 0 GDADMM O=C(c1ccoc1C1CC1)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571160218 952724209 /nfs/dbraw/zinc/72/42/09/952724209.db2.gz FAZUINRQPUSZKM-GFCCVEGCSA-N -1 1 380.412 1.844 20 0 GDADMM O=C(c1ccoc1C1CC1)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571160860 952728278 /nfs/dbraw/zinc/72/82/78/952728278.db2.gz NLVZXODVDCHGJC-GFCCVEGCSA-N -1 1 380.412 1.266 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H](Nc3nc(Cl)c(-c4nnn[n-]4)s3)C2)no1 ZINC001571171849 952798508 /nfs/dbraw/zinc/79/85/08/952798508.db2.gz GSEFIJVYEJUBSQ-SSDOTTSWSA-N -1 1 380.821 1.600 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H](Nc3nc(Cl)c(-c4nn[n-]n4)s3)C2)no1 ZINC001571171849 952798511 /nfs/dbraw/zinc/79/85/11/952798511.db2.gz GSEFIJVYEJUBSQ-SSDOTTSWSA-N -1 1 380.821 1.600 20 0 GDADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)[C@@H]1C[C@H]1C1CCC1 ZINC001571172532 952806557 /nfs/dbraw/zinc/80/65/57/952806557.db2.gz WIXUCDRIADIKGU-SGPHBRAGSA-N -1 1 380.456 1.319 20 0 GDADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)[C@@H]1C[C@H]1C1CCC1 ZINC001571172532 952806560 /nfs/dbraw/zinc/80/65/60/952806560.db2.gz WIXUCDRIADIKGU-SGPHBRAGSA-N -1 1 380.456 1.319 20 0 GDADMM Cc1cc(F)cc(-c2nn[n-]n2)c1S(=O)(=O)N1CC(C)(C)[C@H]2COC[C@H]21 ZINC001571182849 952869935 /nfs/dbraw/zinc/86/99/35/952869935.db2.gz HWMMSWNORGEMBX-QWHCGFSZSA-N -1 1 381.433 1.360 20 0 GDADMM CCc1nc(NC[C@@H]2CN(C(=O)c3ccc[nH]3)C[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571183604 952881199 /nfs/dbraw/zinc/88/11/99/952881199.db2.gz FLVRKBOMMAOXGS-NWDGAFQWSA-N -1 1 381.444 1.367 20 0 GDADMM CCc1nc(NC[C@@H]2CN(C(=O)c3ccc[nH]3)C[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571183604 952881200 /nfs/dbraw/zinc/88/12/00/952881200.db2.gz FLVRKBOMMAOXGS-NWDGAFQWSA-N -1 1 381.444 1.367 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cc[nH]c2)[C@@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001571183704 952882030 /nfs/dbraw/zinc/88/20/30/952882030.db2.gz HVTRRRNAEIOXAI-IUODEOHRSA-N -1 1 381.444 1.728 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cc[nH]c2)[C@@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001571183704 952882033 /nfs/dbraw/zinc/88/20/33/952882033.db2.gz HVTRRRNAEIOXAI-IUODEOHRSA-N -1 1 381.444 1.728 20 0 GDADMM CCc1nc(N[C@@H]2C[C@@H](C)N(C(=O)c3[nH]ccc3C)C2)cc(-c2nnn[n-]2)n1 ZINC001571183976 952886027 /nfs/dbraw/zinc/88/60/27/952886027.db2.gz NVVBEIAYQPEFKP-VXGBXAGGSA-N -1 1 381.444 1.571 20 0 GDADMM CCc1nc(N[C@@H]2C[C@@H](C)N(C(=O)c3[nH]ccc3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571183976 952886037 /nfs/dbraw/zinc/88/60/37/952886037.db2.gz NVVBEIAYQPEFKP-VXGBXAGGSA-N -1 1 381.444 1.571 20 0 GDADMM Cc1c(C(=O)N2CCC[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)ccn1C ZINC001571184607 952895324 /nfs/dbraw/zinc/89/53/24/952895324.db2.gz AYGVWRKWVQETDJ-ZDUSSCGKSA-N -1 1 381.444 1.329 20 0 GDADMM Cc1c(C(=O)N2CCC[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)ccn1C ZINC001571184607 952895330 /nfs/dbraw/zinc/89/53/30/952895330.db2.gz AYGVWRKWVQETDJ-ZDUSSCGKSA-N -1 1 381.444 1.329 20 0 GDADMM CCn1ccc(C(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)[C@@H]2C)c1C ZINC001571184788 952897070 /nfs/dbraw/zinc/89/70/70/952897070.db2.gz DBQGKROWZXTULF-GXTWGEPZSA-N -1 1 381.444 1.502 20 0 GDADMM CCn1ccc(C(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)[C@@H]2C)c1C ZINC001571184788 952897075 /nfs/dbraw/zinc/89/70/75/952897075.db2.gz DBQGKROWZXTULF-GXTWGEPZSA-N -1 1 381.444 1.502 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CCC(CCNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571185530 952902294 /nfs/dbraw/zinc/90/22/94/952902294.db2.gz MTKGSYIVJURFFW-UHFFFAOYSA-N -1 1 381.444 1.648 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CCC(CCNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571185530 952902297 /nfs/dbraw/zinc/90/22/97/952902297.db2.gz MTKGSYIVJURFFW-UHFFFAOYSA-N -1 1 381.444 1.648 20 0 GDADMM Cc1c(C(=O)N2CCC[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)ccn1C ZINC001571186137 952905595 /nfs/dbraw/zinc/90/55/95/952905595.db2.gz TYXUZHRMAGOFOT-ZDUSSCGKSA-N -1 1 381.444 1.268 20 0 GDADMM Cc1c(C(=O)N2CCC[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)ccn1C ZINC001571186137 952905596 /nfs/dbraw/zinc/90/55/96/952905596.db2.gz TYXUZHRMAGOFOT-ZDUSSCGKSA-N -1 1 381.444 1.268 20 0 GDADMM Cc1c[nH]cc1C(=O)N[C@@H](C)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571186609 952907670 /nfs/dbraw/zinc/90/76/70/952907670.db2.gz YKNAAXKGBVXDTF-LBPRGKRZSA-N -1 1 381.444 1.328 20 0 GDADMM Cc1c[nH]cc1C(=O)N[C@@H](C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571186609 952907675 /nfs/dbraw/zinc/90/76/75/952907675.db2.gz YKNAAXKGBVXDTF-LBPRGKRZSA-N -1 1 381.444 1.328 20 0 GDADMM Cc1c(C(=O)N2CCCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)ccn1C ZINC001571186601 952908213 /nfs/dbraw/zinc/90/82/13/952908213.db2.gz YCANTHIEYWJNMF-ZDUSSCGKSA-N -1 1 381.444 1.410 20 0 GDADMM Cc1c(C(=O)N2CCCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)ccn1C ZINC001571186601 952908216 /nfs/dbraw/zinc/90/82/16/952908216.db2.gz YCANTHIEYWJNMF-ZDUSSCGKSA-N -1 1 381.444 1.410 20 0 GDADMM C[C@@H]1C[C@H]1C(=O)N1CC[C@H](CN(C)c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571190537 952942842 /nfs/dbraw/zinc/94/28/42/952942842.db2.gz KWKCJKHUHWEWMB-OPRDCNLKSA-N -1 1 381.893 1.917 20 0 GDADMM C[C@@H]1C[C@H]1C(=O)N1CC[C@H](CN(C)c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571190537 952942844 /nfs/dbraw/zinc/94/28/44/952942844.db2.gz KWKCJKHUHWEWMB-OPRDCNLKSA-N -1 1 381.893 1.917 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)(F)F)CC2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571193889 952954820 /nfs/dbraw/zinc/95/48/20/952954820.db2.gz AIAAWLSNFZZCJI-WCBMZHEXSA-N -1 1 382.350 1.258 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)(F)F)CC2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571193889 952954823 /nfs/dbraw/zinc/95/48/23/952954823.db2.gz AIAAWLSNFZZCJI-WCBMZHEXSA-N -1 1 382.350 1.258 20 0 GDADMM O=C(N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)C1(C(F)(F)F)CC1 ZINC001571194499 952964171 /nfs/dbraw/zinc/96/41/71/952964171.db2.gz OELIOEUYRMPRBW-SECBINFHSA-N -1 1 382.350 1.402 20 0 GDADMM O=C(N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)C1(C(F)(F)F)CC1 ZINC001571194499 952964178 /nfs/dbraw/zinc/96/41/78/952964178.db2.gz OELIOEUYRMPRBW-SECBINFHSA-N -1 1 382.350 1.402 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](NC(=O)c3ccccc3F)C2)n1 ZINC001571195551 952976101 /nfs/dbraw/zinc/97/61/01/952976101.db2.gz BSARHJSUUXMYDB-LBPRGKRZSA-N -1 1 382.403 1.503 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](NC(=O)c3ccccc3F)C2)n1 ZINC001571195551 952976105 /nfs/dbraw/zinc/97/61/05/952976105.db2.gz BSARHJSUUXMYDB-LBPRGKRZSA-N -1 1 382.403 1.503 20 0 GDADMM CC1(NC(=O)c2ccccc2F)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571195737 952979517 /nfs/dbraw/zinc/97/95/17/952979517.db2.gz FNVJKMKHXHLZAA-UHFFFAOYSA-N -1 1 382.403 1.585 20 0 GDADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)Cc2cccc(F)c2)C1 ZINC001571196163 952980321 /nfs/dbraw/zinc/98/03/21/952980321.db2.gz IECXAMAJOWVJHG-AWEZNQCLSA-N -1 1 382.403 1.076 20 0 GDADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)Cc2cccc(F)c2)C1 ZINC001571196163 952980325 /nfs/dbraw/zinc/98/03/25/952980325.db2.gz IECXAMAJOWVJHG-AWEZNQCLSA-N -1 1 382.403 1.076 20 0 GDADMM CCc1ccc(F)cc1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571196350 952981721 /nfs/dbraw/zinc/98/17/21/952981721.db2.gz JFISHIDIRVGEOD-ZDUSSCGKSA-N -1 1 382.403 1.367 20 0 GDADMM CCc1ccc(F)cc1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571196350 952981727 /nfs/dbraw/zinc/98/17/27/952981727.db2.gz JFISHIDIRVGEOD-ZDUSSCGKSA-N -1 1 382.403 1.367 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(F)cc2)CC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571196813 952984531 /nfs/dbraw/zinc/98/45/31/952984531.db2.gz OIAQRUNOHWVWKU-SMDDNHRTSA-N -1 1 382.403 1.759 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(F)cc2)CC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571196813 952984535 /nfs/dbraw/zinc/98/45/35/952984535.db2.gz OIAQRUNOHWVWKU-SMDDNHRTSA-N -1 1 382.403 1.759 20 0 GDADMM Cc1cc(F)cc(C)c1C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571196963 952986485 /nfs/dbraw/zinc/98/64/85/952986485.db2.gz QWHRIGAYLYLWCW-JOCQHMNTSA-N -1 1 382.403 1.786 20 0 GDADMM Cc1cc(F)cc(C)c1C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571196963 952986486 /nfs/dbraw/zinc/98/64/86/952986486.db2.gz QWHRIGAYLYLWCW-JOCQHMNTSA-N -1 1 382.403 1.786 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C)cc1F ZINC001571197163 952986888 /nfs/dbraw/zinc/98/68/88/952986888.db2.gz TUPIKWXHSBVKNT-IAQYHMDHSA-N -1 1 382.403 1.359 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C)cc1F ZINC001571197163 952986891 /nfs/dbraw/zinc/98/68/91/952986891.db2.gz TUPIKWXHSBVKNT-IAQYHMDHSA-N -1 1 382.403 1.359 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CN(C(=O)c3cccc(F)c3)C[C@H]2C)n1 ZINC001571197225 952986973 /nfs/dbraw/zinc/98/69/73/952986973.db2.gz UNBBOUKBVSHPLD-MEBBXXQBSA-N -1 1 382.403 1.677 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CN(C(=O)c3cccc(F)c3)C[C@H]2C)n1 ZINC001571197225 952986976 /nfs/dbraw/zinc/98/69/76/952986976.db2.gz UNBBOUKBVSHPLD-MEBBXXQBSA-N -1 1 382.403 1.677 20 0 GDADMM CN(C(=O)Cc1ccccc1F)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571197223 952987462 /nfs/dbraw/zinc/98/74/62/952987462.db2.gz ULORHQGSUSKKFG-ZDUSSCGKSA-N -1 1 382.403 1.076 20 0 GDADMM CN(C(=O)Cc1ccccc1F)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571197223 952987467 /nfs/dbraw/zinc/98/74/67/952987467.db2.gz ULORHQGSUSKKFG-ZDUSSCGKSA-N -1 1 382.403 1.076 20 0 GDADMM Cc1cc(C(=O)NC2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)ccc1F ZINC001571197379 952989671 /nfs/dbraw/zinc/98/96/71/952989671.db2.gz YLOPBTXGAOMKOO-UHFFFAOYSA-N -1 1 382.403 1.503 20 0 GDADMM Cc1cc(C(=O)NC2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)ccc1F ZINC001571197379 952989677 /nfs/dbraw/zinc/98/96/77/952989677.db2.gz YLOPBTXGAOMKOO-UHFFFAOYSA-N -1 1 382.403 1.503 20 0 GDADMM CCN(C(=O)c1cc(C)co1)[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571198900 952993645 /nfs/dbraw/zinc/99/36/45/952993645.db2.gz HVTCATGQIKOMBR-ZDUSSCGKSA-N -1 1 382.428 1.608 20 0 GDADMM CCN(C(=O)c1cc(C)co1)[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571198900 952993648 /nfs/dbraw/zinc/99/36/48/952993648.db2.gz HVTCATGQIKOMBR-ZDUSSCGKSA-N -1 1 382.428 1.608 20 0 GDADMM CCc1occc1C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C[C@@H]1C ZINC001571198761 952993858 /nfs/dbraw/zinc/99/38/58/952993858.db2.gz FUONBSYGWCMYFE-RYUDHWBXSA-N -1 1 382.428 1.917 20 0 GDADMM CCc1occc1C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C[C@@H]1C ZINC001571198761 952993864 /nfs/dbraw/zinc/99/38/64/952993864.db2.gz FUONBSYGWCMYFE-RYUDHWBXSA-N -1 1 382.428 1.917 20 0 GDADMM Cc1cc(C)c(C(=O)NC[C@H]2CCCN2c2nc(C)cc(-c3nnn[n-]3)n2)o1 ZINC001571198959 952995182 /nfs/dbraw/zinc/99/51/82/952995182.db2.gz ISTIVOSPNZCWCV-CYBMUJFWSA-N -1 1 382.428 1.574 20 0 GDADMM Cc1cc(C)c(C(=O)NC[C@H]2CCCN2c2nc(C)cc(-c3nn[n-]n3)n2)o1 ZINC001571198959 952995191 /nfs/dbraw/zinc/99/51/91/952995191.db2.gz ISTIVOSPNZCWCV-CYBMUJFWSA-N -1 1 382.428 1.574 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@H]2CNC(=O)c2coc(C)c2)n1 ZINC001571199584 953001604 /nfs/dbraw/zinc/00/16/04/953001604.db2.gz VXTWLLNRFXEVQA-ZDUSSCGKSA-N -1 1 382.428 1.519 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@H]2CNC(=O)c2coc(C)c2)n1 ZINC001571199584 953001609 /nfs/dbraw/zinc/00/16/09/953001609.db2.gz VXTWLLNRFXEVQA-ZDUSSCGKSA-N -1 1 382.428 1.519 20 0 GDADMM O=C(N[C@@H]1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC001571199795 953005332 /nfs/dbraw/zinc/00/53/32/953005332.db2.gz CGANHVQVJLKNPU-TZMCWYRMSA-N -1 1 382.403 1.228 20 0 GDADMM Cc1ccc([C@H](C)C(=O)N2CCC(Nc3cnc(-c4nnn[n-]4)cn3)CC2)o1 ZINC001571200082 953006786 /nfs/dbraw/zinc/00/67/86/953006786.db2.gz AJWJEUNYKZRHMR-LBPRGKRZSA-N -1 1 382.428 1.765 20 0 GDADMM Cc1ccc([C@H](C)C(=O)N2CCC(Nc3cnc(-c4nn[n-]n4)cn3)CC2)o1 ZINC001571200082 953006790 /nfs/dbraw/zinc/00/67/90/953006790.db2.gz AJWJEUNYKZRHMR-LBPRGKRZSA-N -1 1 382.428 1.765 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)c(C)o1 ZINC001571200164 953007545 /nfs/dbraw/zinc/00/75/45/953007545.db2.gz BGCWXCXHCUGGSQ-CHWSQXEVSA-N -1 1 382.428 1.877 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)c(C)o1 ZINC001571200164 953007551 /nfs/dbraw/zinc/00/75/51/953007551.db2.gz BGCWXCXHCUGGSQ-CHWSQXEVSA-N -1 1 382.428 1.877 20 0 GDADMM Cc1ccc(CC(=O)N2CCC(Nc3nc(C)cc(-c4nnn[n-]4)n3)CC2)o1 ZINC001571200587 953010715 /nfs/dbraw/zinc/01/07/15/953010715.db2.gz FFPGZRQGSQHWDB-UHFFFAOYSA-N -1 1 382.428 1.512 20 0 GDADMM Cc1ccc(CC(=O)N2CCC(Nc3nc(C)cc(-c4nn[n-]n4)n3)CC2)o1 ZINC001571200587 953010719 /nfs/dbraw/zinc/01/07/19/953010719.db2.gz FFPGZRQGSQHWDB-UHFFFAOYSA-N -1 1 382.428 1.512 20 0 GDADMM CC[C@@H]1CN(C(=O)c2ccoc2C)CC[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571201106 953015101 /nfs/dbraw/zinc/01/51/01/953015101.db2.gz MQQZPMMGKCHRBZ-OCCSQVGLSA-N -1 1 382.428 1.911 20 0 GDADMM CC[C@@H]1CN(C(=O)c2ccoc2C)CC[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571201106 953015104 /nfs/dbraw/zinc/01/51/04/953015104.db2.gz MQQZPMMGKCHRBZ-OCCSQVGLSA-N -1 1 382.428 1.911 20 0 GDADMM O=C(N[C@H]1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccc(F)cc1 ZINC001571201174 953016460 /nfs/dbraw/zinc/01/64/60/953016460.db2.gz OZQGPUXSYMOARC-KGLIPLIRSA-N -1 1 382.403 1.949 20 0 GDADMM O=C(N[C@H]1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccc(F)cc1 ZINC001571201174 953016464 /nfs/dbraw/zinc/01/64/64/953016464.db2.gz OZQGPUXSYMOARC-KGLIPLIRSA-N -1 1 382.403 1.949 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H](CCNc3nc(C)cc(-c4nnn[n-]4)n3)C2)o1 ZINC001571201785 953020773 /nfs/dbraw/zinc/02/07/73/953020773.db2.gz OEKZJPNDOPXQSP-ZDUSSCGKSA-N -1 1 382.428 1.831 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H](CCNc3nc(C)cc(-c4nn[n-]n4)n3)C2)o1 ZINC001571201785 953020777 /nfs/dbraw/zinc/02/07/77/953020777.db2.gz OEKZJPNDOPXQSP-ZDUSSCGKSA-N -1 1 382.428 1.831 20 0 GDADMM CCCc1occc1C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001571202080 953022815 /nfs/dbraw/zinc/02/28/15/953022815.db2.gz UZLIICRMPWMAFS-WCQYABFASA-N -1 1 382.428 1.917 20 0 GDADMM CCCc1occc1C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001571202080 953022819 /nfs/dbraw/zinc/02/28/19/953022819.db2.gz UZLIICRMPWMAFS-WCQYABFASA-N -1 1 382.428 1.917 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571202100 953023065 /nfs/dbraw/zinc/02/30/65/953023065.db2.gz VGDIHICXFXETBC-ZDUSSCGKSA-N -1 1 382.428 1.167 20 0 GDADMM CCCc1occc1C(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571202453 953025032 /nfs/dbraw/zinc/02/50/32/953025032.db2.gz XLRSIIXLQCQHAZ-LBPRGKRZSA-N -1 1 382.428 1.459 20 0 GDADMM CCCc1occc1C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571202453 953025043 /nfs/dbraw/zinc/02/50/43/953025043.db2.gz XLRSIIXLQCQHAZ-LBPRGKRZSA-N -1 1 382.428 1.459 20 0 GDADMM O=C(N[C@@H]1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1F ZINC001571202438 953025483 /nfs/dbraw/zinc/02/54/83/953025483.db2.gz WXRFURBQUZCJJW-NWDGAFQWSA-N -1 1 382.403 1.371 20 0 GDADMM CC(C)n1cnc(C(=O)N2CCC(Nc3cncc(-c4nnn[n-]4)n3)CC2)c1 ZINC001571205620 953040405 /nfs/dbraw/zinc/04/04/05/953040405.db2.gz LRPMAUZFPYKNTI-UHFFFAOYSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1cnc(C(=O)N2CCC(Nc3cncc(-c4nn[n-]n4)n3)CC2)c1 ZINC001571205620 953040408 /nfs/dbraw/zinc/04/04/08/953040408.db2.gz LRPMAUZFPYKNTI-UHFFFAOYSA-N -1 1 382.432 1.151 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3CN(C(=O)c4cccs4)C[C@@H]3C2)n1 ZINC001571210374 953071407 /nfs/dbraw/zinc/07/14/07/953071407.db2.gz PZUYVLFCGANEMU-TXEJJXNPSA-N -1 1 382.453 1.235 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3CN(C(=O)c4cccs4)C[C@@H]3C2)n1 ZINC001571210374 953071410 /nfs/dbraw/zinc/07/14/10/953071410.db2.gz PZUYVLFCGANEMU-TXEJJXNPSA-N -1 1 382.453 1.235 20 0 GDADMM C[C@H]1CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)CC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571211519 953077123 /nfs/dbraw/zinc/07/71/23/953077123.db2.gz AKNJXRXBFMNJFN-BTFPBAQTSA-N -1 1 382.472 1.599 20 0 GDADMM C[C@H]1CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)CC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571211519 953077124 /nfs/dbraw/zinc/07/71/24/953077124.db2.gz AKNJXRXBFMNJFN-BTFPBAQTSA-N -1 1 382.472 1.599 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](CNC(=O)[C@]34C[C@H]3CCC4)C2)n1 ZINC001571212222 953085919 /nfs/dbraw/zinc/08/59/19/953085919.db2.gz JMRABAMOQUNCTM-XEKQOVJPSA-N -1 1 382.472 1.352 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](CNC(=O)[C@]34C[C@H]3CCC4)C2)n1 ZINC001571212222 953085924 /nfs/dbraw/zinc/08/59/24/953085924.db2.gz JMRABAMOQUNCTM-XEKQOVJPSA-N -1 1 382.472 1.352 20 0 GDADMM C[C@@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001571212262 953086119 /nfs/dbraw/zinc/08/61/19/953086119.db2.gz KGZMIBANXFXFCH-AEGPPILISA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001571212262 953086123 /nfs/dbraw/zinc/08/61/23/953086123.db2.gz KGZMIBANXFXFCH-AEGPPILISA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H]1CCCN(C(=O)C2CC3(CC3)C2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571212238 953086165 /nfs/dbraw/zinc/08/61/65/953086165.db2.gz JWAVWNKKUYCLMJ-JSGCOSHPSA-N -1 1 382.472 1.308 20 0 GDADMM CCc1nc(N[C@@H]2CCCN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)C2)cc(-c2nnn[n-]2)n1 ZINC001571212277 953086182 /nfs/dbraw/zinc/08/61/82/953086182.db2.gz KKJINGXHQHOQDF-ZOBORPQBSA-N -1 1 382.472 1.668 20 0 GDADMM CCc1nc(N[C@@H]2CCCN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)C2)cc(-c2nn[n-]n2)n1 ZINC001571212277 953086186 /nfs/dbraw/zinc/08/61/86/953086186.db2.gz KKJINGXHQHOQDF-ZOBORPQBSA-N -1 1 382.472 1.668 20 0 GDADMM C[C@@H]1CN(C(=O)C23CCC(CC2)CC3)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571212420 953088573 /nfs/dbraw/zinc/08/85/73/953088573.db2.gz LLOSBUFNTMJOAH-CECOHMBGSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@@H]1CN(C(=O)C23CCC(CC2)CC3)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571212420 953088575 /nfs/dbraw/zinc/08/85/75/953088575.db2.gz LLOSBUFNTMJOAH-CECOHMBGSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(C)CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571212571 953089651 /nfs/dbraw/zinc/08/96/51/953089651.db2.gz NFOFDTWVGLHLKW-GBOPCIDUSA-N -1 1 382.472 1.709 20 0 GDADMM CC1(C)CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571212571 953089655 /nfs/dbraw/zinc/08/96/55/953089655.db2.gz NFOFDTWVGLHLKW-GBOPCIDUSA-N -1 1 382.472 1.709 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](NC(=O)[C@]34C[C@H]3CCCC4)C2)n1 ZINC001571212953 953091301 /nfs/dbraw/zinc/09/13/01/953091301.db2.gz OJSMSVWELVSKQR-PJIJBLCYSA-N -1 1 382.472 1.630 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](NC(=O)[C@]34C[C@H]3CCCC4)C2)n1 ZINC001571212953 953091305 /nfs/dbraw/zinc/09/13/05/953091305.db2.gz OJSMSVWELVSKQR-PJIJBLCYSA-N -1 1 382.472 1.630 20 0 GDADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCCN(C(=O)C2=CCCCCC2)C1 ZINC001571212989 953092796 /nfs/dbraw/zinc/09/27/96/953092796.db2.gz PGAFTYQJRMMOGH-HNNXBMFYSA-N -1 1 382.472 1.974 20 0 GDADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCCN(C(=O)C2=CCCCCC2)C1 ZINC001571212989 953092800 /nfs/dbraw/zinc/09/28/00/953092800.db2.gz PGAFTYQJRMMOGH-HNNXBMFYSA-N -1 1 382.472 1.974 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CC(C1CC1)C1CC1 ZINC001571213244 953093652 /nfs/dbraw/zinc/09/36/52/953093652.db2.gz QBAMNRQQWLLDOD-ABAIWWIYSA-N -1 1 382.472 1.884 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CC(C1CC1)C1CC1 ZINC001571213244 953093657 /nfs/dbraw/zinc/09/36/57/953093657.db2.gz QBAMNRQQWLLDOD-ABAIWWIYSA-N -1 1 382.472 1.884 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571213229 953093751 /nfs/dbraw/zinc/09/37/51/953093751.db2.gz PWYJTXMVZFSUCM-QUJCMNEKSA-N -1 1 382.472 1.165 20 0 GDADMM CC1(C)CN(C(=O)[C@@H]2C[C@H]2C2CCC2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571213608 953096070 /nfs/dbraw/zinc/09/60/70/953096070.db2.gz SGXZNMDUANGKEV-GUTXKFCHSA-N -1 1 382.472 1.742 20 0 GDADMM CC1(C)CN(C(=O)[C@@H]2C[C@H]2C2CCC2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571213608 953096075 /nfs/dbraw/zinc/09/60/75/953096075.db2.gz SGXZNMDUANGKEV-GUTXKFCHSA-N -1 1 382.472 1.742 20 0 GDADMM C[C@]12CN(C(=O)C3CCCCC3)C[C@H]1CN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001571213672 953096097 /nfs/dbraw/zinc/09/60/97/953096097.db2.gz SVDHKQGIUBRVFP-KUHUBIRLSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@]12CN(C(=O)C3CCCCC3)C[C@H]1CN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001571213672 953096101 /nfs/dbraw/zinc/09/61/01/953096101.db2.gz SVDHKQGIUBRVFP-KUHUBIRLSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C(=O)N[C@@H]2CC[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@@H]3C2)CCC1 ZINC001571213625 953096563 /nfs/dbraw/zinc/09/65/63/953096563.db2.gz SKUDRKQZVZBHBY-MELADBBJSA-N -1 1 382.472 1.568 20 0 GDADMM CC1(C(=O)N[C@@H]2CC[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@@H]3C2)CCC1 ZINC001571213625 953096565 /nfs/dbraw/zinc/09/65/65/953096565.db2.gz SKUDRKQZVZBHBY-MELADBBJSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H]1CN(C(=O)C(C2CC2)C2CC2)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571214449 953101912 /nfs/dbraw/zinc/10/19/12/953101912.db2.gz YSYCOAQEHUMGJB-BXUZGUMPSA-N -1 1 382.472 1.164 20 0 GDADMM O=C(NC1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)[C@@H]1CCCC12CC2 ZINC001571216865 953104595 /nfs/dbraw/zinc/10/45/95/953104595.db2.gz BALGQTBKKFITGQ-RUXDESIVSA-N -1 1 382.472 1.498 20 0 GDADMM O=C([C@H]1CC2CCC1CC2)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571218470 953114870 /nfs/dbraw/zinc/11/48/70/953114870.db2.gz OVHOTRZMNKGFJJ-JYVUQVBGSA-N -1 1 382.472 1.743 20 0 GDADMM O=C([C@H]1CC2CCC1CC2)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571218470 953114873 /nfs/dbraw/zinc/11/48/73/953114873.db2.gz OVHOTRZMNKGFJJ-JYVUQVBGSA-N -1 1 382.472 1.743 20 0 GDADMM O=C(c1cc(F)c[nH]1)N1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC001571218501 953116314 /nfs/dbraw/zinc/11/63/14/953116314.db2.gz PJCXHEIJGXRMJU-UHFFFAOYSA-N -1 1 382.812 1.406 20 0 GDADMM O=C(c1cc(F)c[nH]1)N1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC001571218501 953116317 /nfs/dbraw/zinc/11/63/17/953116317.db2.gz PJCXHEIJGXRMJU-UHFFFAOYSA-N -1 1 382.812 1.406 20 0 GDADMM CCOc1cccc(N2CCC(NC(=O)c3coc(-c4nnn[n-]4)c3)CC2)n1 ZINC001571218664 953118310 /nfs/dbraw/zinc/11/83/10/953118310.db2.gz DKDMFMVDUBLVDS-UHFFFAOYSA-N -1 1 383.412 1.652 20 0 GDADMM CCOc1cccc(N2CCC(NC(=O)c3coc(-c4nn[n-]n4)c3)CC2)n1 ZINC001571218664 953118312 /nfs/dbraw/zinc/11/83/12/953118312.db2.gz DKDMFMVDUBLVDS-UHFFFAOYSA-N -1 1 383.412 1.652 20 0 GDADMM O=C(c1ccccc1Cl)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1 ZINC001571219113 953122315 /nfs/dbraw/zinc/12/23/15/953122315.db2.gz VOOGHBVQPQXEBZ-QWRGUYRKSA-N -1 1 382.815 1.413 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)[C@H]1CCCC2(CC2)C1 ZINC001571219572 953127025 /nfs/dbraw/zinc/12/70/25/953127025.db2.gz ZPBYRUNRFVNOKW-IHRRRGAJSA-N -1 1 382.472 1.356 20 0 GDADMM CC(C)c1cc(C(=O)N(C)C2CC(Nc3cncc(-c4nnn[n-]4)n3)C2)on1 ZINC001571222542 953135646 /nfs/dbraw/zinc/13/56/46/953135646.db2.gz IODYJPHZHVOCKJ-UHFFFAOYSA-N -1 1 383.416 1.483 20 0 GDADMM CC(C)c1cc(C(=O)N(C)C2CC(Nc3cncc(-c4nn[n-]n4)n3)C2)on1 ZINC001571222542 953135649 /nfs/dbraw/zinc/13/56/49/953135649.db2.gz IODYJPHZHVOCKJ-UHFFFAOYSA-N -1 1 383.416 1.483 20 0 GDADMM CCc1ncoc1C(=O)N1C[C@H](C)[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571223546 953145233 /nfs/dbraw/zinc/14/52/33/953145233.db2.gz UWQWDJFAMRVIMO-QWRGUYRKSA-N -1 1 383.416 1.027 20 0 GDADMM CCc1ncoc1C(=O)N1C[C@H](C)[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571223546 953145235 /nfs/dbraw/zinc/14/52/35/953145235.db2.gz UWQWDJFAMRVIMO-QWRGUYRKSA-N -1 1 383.416 1.027 20 0 GDADMM Cc1ocnc1C(=O)N1CC[C@H]([C@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571225243 953152851 /nfs/dbraw/zinc/15/28/51/953152851.db2.gz IUUOHSURCPUDNO-JQWIXIFHSA-N -1 1 383.416 1.224 20 0 GDADMM Cc1ocnc1C(=O)N1CC[C@H]([C@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571225243 953152852 /nfs/dbraw/zinc/15/28/52/953152852.db2.gz IUUOHSURCPUDNO-JQWIXIFHSA-N -1 1 383.416 1.224 20 0 GDADMM Cc1cc(C(=O)N2CCCC[C@H]2CNc2nc(C)cc(-c3nnn[n-]3)n2)on1 ZINC001571226393 953155409 /nfs/dbraw/zinc/15/54/09/953155409.db2.gz PRPFXHSQROICDL-LBPRGKRZSA-N -1 1 383.416 1.368 20 0 GDADMM Cc1cc(C(=O)N2CCCC[C@H]2CNc2nc(C)cc(-c3nn[n-]n3)n2)on1 ZINC001571226393 953155410 /nfs/dbraw/zinc/15/54/10/953155410.db2.gz PRPFXHSQROICDL-LBPRGKRZSA-N -1 1 383.416 1.368 20 0 GDADMM Cc1ocnc1C(=O)NC[C@@H]1CCCCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571228179 953162475 /nfs/dbraw/zinc/16/24/75/953162475.db2.gz KGZSHJFRFFMPIJ-LBPRGKRZSA-N -1 1 383.416 1.132 20 0 GDADMM Cc1ocnc1C(=O)NC[C@@H]1CCCCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571228179 953162476 /nfs/dbraw/zinc/16/24/76/953162476.db2.gz KGZSHJFRFFMPIJ-LBPRGKRZSA-N -1 1 383.416 1.132 20 0 GDADMM Cc1nocc1C(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571228795 953166998 /nfs/dbraw/zinc/16/69/98/953166998.db2.gz VQCCSRGBOVMHAP-HAQNSBGRSA-N -1 1 383.416 1.354 20 0 GDADMM Cc1nocc1C(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571228795 953167000 /nfs/dbraw/zinc/16/70/00/953167000.db2.gz VQCCSRGBOVMHAP-HAQNSBGRSA-N -1 1 383.416 1.354 20 0 GDADMM Cc1nocc1C(=O)N1CC[C@@H](C)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571228986 953168086 /nfs/dbraw/zinc/16/80/86/953168086.db2.gz XOPOSSJUNWUTHI-PWSUYJOCSA-N -1 1 383.416 1.306 20 0 GDADMM Cc1nocc1C(=O)N1CC[C@@H](C)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571228986 953168088 /nfs/dbraw/zinc/16/80/88/953168088.db2.gz XOPOSSJUNWUTHI-PWSUYJOCSA-N -1 1 383.416 1.306 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C12CCC2)c1ccsn1 ZINC001571231189 953183631 /nfs/dbraw/zinc/18/36/31/953183631.db2.gz VATNJMNTSLSVTK-MNOVXSKESA-N -1 1 383.441 1.266 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C12CCC2)c1ccsn1 ZINC001571231189 953183632 /nfs/dbraw/zinc/18/36/32/953183632.db2.gz VATNJMNTSLSVTK-MNOVXSKESA-N -1 1 383.441 1.266 20 0 GDADMM CN(C(=O)c1cc2c([nH]1)CCC2)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571233680 953194583 /nfs/dbraw/zinc/19/45/83/953194583.db2.gz AHVGCMGZGCBADY-UHFFFAOYSA-N -1 1 383.481 1.701 20 0 GDADMM COC1CC(C(=O)N2CCN(c3nc(Cl)c(-c4nnn[n-]4)s3)CC2)C1 ZINC001571235025 953207807 /nfs/dbraw/zinc/20/78/07/953207807.db2.gz QBOBPMBGRIECDT-UHFFFAOYSA-N -1 1 383.865 1.050 20 0 GDADMM COC1CC(C(=O)N2CCN(c3nc(Cl)c(-c4nn[n-]n4)s3)CC2)C1 ZINC001571235025 953207811 /nfs/dbraw/zinc/20/78/11/953207811.db2.gz QBOBPMBGRIECDT-UHFFFAOYSA-N -1 1 383.865 1.050 20 0 GDADMM CC[C@@H]1CN(C(=O)CC(F)(F)F)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571235005 953207944 /nfs/dbraw/zinc/20/79/44/953207944.db2.gz PKLJSWDCYPEFOZ-ZJUUUORDSA-N -1 1 384.366 1.070 20 0 GDADMM CC(C)(C(=O)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001571235056 953208298 /nfs/dbraw/zinc/20/82/98/953208298.db2.gz REYVEJFMFNTHIH-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)(C(=O)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001571235056 953208302 /nfs/dbraw/zinc/20/83/02/953208302.db2.gz REYVEJFMFNTHIH-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM O=C([C@H]1CCOC1)N1CCC[C@@H]1CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001571235267 953210505 /nfs/dbraw/zinc/21/05/05/953210505.db2.gz YPFRYPNCBFXARN-DTWKUNHWSA-N -1 1 383.865 1.416 20 0 GDADMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CCN(C(=O)C2=CCOCC2)CC1 ZINC001571243079 953262800 /nfs/dbraw/zinc/26/28/00/953262800.db2.gz VGAZWIXKELQLJV-LBPRGKRZSA-N -1 1 384.444 1.042 20 0 GDADMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CCN(C(=O)C2=CCOCC2)CC1 ZINC001571243079 953262802 /nfs/dbraw/zinc/26/28/02/953262802.db2.gz VGAZWIXKELQLJV-LBPRGKRZSA-N -1 1 384.444 1.042 20 0 GDADMM Cc1ccc(C(=O)N(C)C2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)s1 ZINC001571244560 953264656 /nfs/dbraw/zinc/26/46/56/953264656.db2.gz ATXFFQIKBVFROQ-UHFFFAOYSA-N -1 1 384.469 1.768 20 0 GDADMM Cc1ccc(C(=O)N(C)C2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)s1 ZINC001571244560 953264658 /nfs/dbraw/zinc/26/46/58/953264658.db2.gz ATXFFQIKBVFROQ-UHFFFAOYSA-N -1 1 384.469 1.768 20 0 GDADMM CCc1ccsc1C(=O)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571244606 953265088 /nfs/dbraw/zinc/26/50/88/953265088.db2.gz CDHKFWAYAHDUOU-GFCCVEGCSA-N -1 1 384.469 1.997 20 0 GDADMM CCc1ccsc1C(=O)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571244606 953265094 /nfs/dbraw/zinc/26/50/94/953265094.db2.gz CDHKFWAYAHDUOU-GFCCVEGCSA-N -1 1 384.469 1.997 20 0 GDADMM Cc1ccc(C(=O)N2C[C@H](C)[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)s1 ZINC001571244838 953267617 /nfs/dbraw/zinc/26/76/17/953267617.db2.gz KCDPQCOPPRSTJT-CMPLNLGQSA-N -1 1 384.469 1.847 20 0 GDADMM Cc1ccc(C(=O)N2C[C@H](C)[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)s1 ZINC001571244838 953267621 /nfs/dbraw/zinc/26/76/21/953267621.db2.gz KCDPQCOPPRSTJT-CMPLNLGQSA-N -1 1 384.469 1.847 20 0 GDADMM CCc1ccc(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)s1 ZINC001571245413 953273304 /nfs/dbraw/zinc/27/33/04/953273304.db2.gz SLIAZCOGVLDPCW-PHIMTYICSA-N -1 1 384.469 1.901 20 0 GDADMM CCc1ccc(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)s1 ZINC001571245413 953273306 /nfs/dbraw/zinc/27/33/06/953273306.db2.gz SLIAZCOGVLDPCW-PHIMTYICSA-N -1 1 384.469 1.901 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)Cc2cccs2)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571245796 953276814 /nfs/dbraw/zinc/27/68/14/953276814.db2.gz ZAPPHHGSHCWVOX-GXTWGEPZSA-N -1 1 384.469 1.434 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)Cc2cccs2)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571245796 953276815 /nfs/dbraw/zinc/27/68/15/953276815.db2.gz ZAPPHHGSHCWVOX-GXTWGEPZSA-N -1 1 384.469 1.434 20 0 GDADMM Cc1nsc(N[C@@H]2C[C@H](NC(=O)Cc3cccnc3C)C2)c1-c1nn[n-]n1 ZINC001571247916 953288263 /nfs/dbraw/zinc/28/82/63/953288263.db2.gz IIMCTWIOEJFOQS-BETUJISGSA-N -1 1 384.469 1.637 20 0 GDADMM Cc1scc(C(=O)N2CC[C@@H](N(C)c3nccnc3-c3nnn[n-]3)C2)c1C ZINC001571248471 953293854 /nfs/dbraw/zinc/29/38/54/953293854.db2.gz VCIBORAYNSNMSZ-GFCCVEGCSA-N -1 1 384.469 1.686 20 0 GDADMM Cc1scc(C(=O)N2CC[C@@H](N(C)c3nccnc3-c3nn[n-]n3)C2)c1C ZINC001571248471 953293859 /nfs/dbraw/zinc/29/38/59/953293859.db2.gz VCIBORAYNSNMSZ-GFCCVEGCSA-N -1 1 384.469 1.686 20 0 GDADMM Cc1sccc1CC(=O)N(C)C1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571248510 953294346 /nfs/dbraw/zinc/29/43/46/953294346.db2.gz WCKNMAITMTZPHD-UHFFFAOYSA-N -1 1 384.469 1.671 20 0 GDADMM Cc1sccc1CC(=O)N(C)C1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571248510 953294348 /nfs/dbraw/zinc/29/43/48/953294348.db2.gz WCKNMAITMTZPHD-UHFFFAOYSA-N -1 1 384.469 1.671 20 0 GDADMM O=C(Cc1cccs1)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571248641 953296046 /nfs/dbraw/zinc/29/60/46/953296046.db2.gz WVTKGCQJFQCYBG-UHFFFAOYSA-N -1 1 384.469 1.033 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)N1CCC(CCNc2nccnc2-c2nnn[n-]2)CC1 ZINC001571248988 953299300 /nfs/dbraw/zinc/29/93/00/953299300.db2.gz AGJHWFVFPQXCIJ-CABCVRRESA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)N1CCC(CCNc2nccnc2-c2nn[n-]n2)CC1 ZINC001571248988 953299303 /nfs/dbraw/zinc/29/93/03/953299303.db2.gz AGJHWFVFPQXCIJ-CABCVRRESA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H]1CCCN(C(=O)CCC2CCC2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571249142 953301432 /nfs/dbraw/zinc/30/14/32/953301432.db2.gz DTYWAQOMCPGUTA-ZFWWWQNUSA-N -1 1 384.488 1.698 20 0 GDADMM C[C@H]1CCCN(C(=O)CCC2CCC2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571249139 953301588 /nfs/dbraw/zinc/30/15/88/953301588.db2.gz DTYWAQOMCPGUTA-DZGCQCFKSA-N -1 1 384.488 1.698 20 0 GDADMM CC1(C)C(C(=O)NCC2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)C1(C)C ZINC001571249221 953302762 /nfs/dbraw/zinc/30/27/62/953302762.db2.gz GFZMRVMQAFSXTR-UHFFFAOYSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C(C)(C)C2CCC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571249272 953302945 /nfs/dbraw/zinc/30/29/45/953302945.db2.gz HDGKYEOCGYDYNA-JSGCOSHPSA-N -1 1 384.488 1.957 20 0 GDADMM CC1(C)CC[C@@H](C(=O)NC[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571249379 953305020 /nfs/dbraw/zinc/30/50/20/953305020.db2.gz HZTBNCGJNQHNJR-ZIAGYGMSSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C)CC[C@@H](C(=O)NC[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571249379 953305023 /nfs/dbraw/zinc/30/50/23/953305023.db2.gz HZTBNCGJNQHNJR-ZIAGYGMSSA-N -1 1 384.488 1.816 20 0 GDADMM CCC(=O)N1CCC[C@@H](C2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)CC2)C1 ZINC001571249469 953306206 /nfs/dbraw/zinc/30/62/06/953306206.db2.gz JNUBMKBGHDQWRY-OAHLLOKOSA-N -1 1 384.488 1.830 20 0 GDADMM CCC(=O)N1CCC[C@@H](C2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)CC2)C1 ZINC001571249469 953306212 /nfs/dbraw/zinc/30/62/12/953306212.db2.gz JNUBMKBGHDQWRY-OAHLLOKOSA-N -1 1 384.488 1.830 20 0 GDADMM CC1(C)CCC[C@H]1C(=O)NC[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571249886 953307208 /nfs/dbraw/zinc/30/72/08/953307208.db2.gz MATUPLDXDKZIMS-KGLIPLIRSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C)CCC[C@H]1C(=O)NC[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571249886 953307210 /nfs/dbraw/zinc/30/72/10/953307210.db2.gz MATUPLDXDKZIMS-KGLIPLIRSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H]1CCCC[C@@H]1C(=O)NC1(C)CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571249994 953307824 /nfs/dbraw/zinc/30/78/24/953307824.db2.gz NEFNNUKCIWDUJM-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCCC[C@@H]1C(=O)NC1(C)CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571249994 953307829 /nfs/dbraw/zinc/30/78/29/953307829.db2.gz NEFNNUKCIWDUJM-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM CCC[C@@H]1CCC[C@@H]1C(=O)NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571250260 953309832 /nfs/dbraw/zinc/30/98/32/953309832.db2.gz PNWFHEUUNTXYOY-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM CCC[C@@H]1CCC[C@@H]1C(=O)NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571250260 953309836 /nfs/dbraw/zinc/30/98/36/953309836.db2.gz PNWFHEUUNTXYOY-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)C1CCCCC1 ZINC001571250657 953312627 /nfs/dbraw/zinc/31/26/27/953312627.db2.gz RSMZBFYTJLHLIP-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)C1CCCCC1 ZINC001571250657 953312628 /nfs/dbraw/zinc/31/26/28/953312628.db2.gz RSMZBFYTJLHLIP-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C1CCCCC1 ZINC001571251152 953315749 /nfs/dbraw/zinc/31/57/49/953315749.db2.gz WKKPMGXDRXKEFP-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)(C(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C1CCCCC1 ZINC001571251152 953315754 /nfs/dbraw/zinc/31/57/54/953315754.db2.gz WKKPMGXDRXKEFP-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)CC(=O)N1CCCC[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571251443 953317550 /nfs/dbraw/zinc/31/75/50/953317550.db2.gz XODFEABQAGULPY-IBGZPJMESA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)CC(=O)N1CCCC[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571251443 953317555 /nfs/dbraw/zinc/31/75/55/953317555.db2.gz XODFEABQAGULPY-IBGZPJMESA-N -1 1 384.488 1.912 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1nccnc1-c1nnn[n-]1)C1CCCC1 ZINC001571251597 953318447 /nfs/dbraw/zinc/31/84/47/953318447.db2.gz ZTJZCLXKBOGTHB-HIFRSBDPSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1nccnc1-c1nn[n-]n1)C1CCCC1 ZINC001571251597 953318449 /nfs/dbraw/zinc/31/84/49/953318449.db2.gz ZTJZCLXKBOGTHB-HIFRSBDPSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](CC1CCCCC1)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571251607 953318494 /nfs/dbraw/zinc/31/84/94/953318494.db2.gz ZXRDOHGQDUBTIP-CQSZACIVSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@H](CC1CCCCC1)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571251607 953318496 /nfs/dbraw/zinc/31/84/96/953318496.db2.gz ZXRDOHGQDUBTIP-CQSZACIVSA-N -1 1 384.488 1.912 20 0 GDADMM CN(C[C@@H]1CCCN1C(=O)[C@H]1CCCC1(C)C)c1cncc(-c2nnn[n-]2)n1 ZINC001571252547 953330209 /nfs/dbraw/zinc/33/02/09/953330209.db2.gz PKQHYZRKTVIZFJ-UONOGXRCSA-N -1 1 384.488 1.910 20 0 GDADMM CN(C[C@@H]1CCCN1C(=O)[C@H]1CCCC1(C)C)c1cncc(-c2nn[n-]n2)n1 ZINC001571252547 953330211 /nfs/dbraw/zinc/33/02/11/953330211.db2.gz PKQHYZRKTVIZFJ-UONOGXRCSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1NC(=O)C(C)(C)C1CCCC1 ZINC001571252742 953332648 /nfs/dbraw/zinc/33/26/48/953332648.db2.gz VKHCEPRQDRBZJS-IUODEOHRSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1NC(=O)C(C)(C)C1CCCC1 ZINC001571252742 953332650 /nfs/dbraw/zinc/33/26/50/953332650.db2.gz VKHCEPRQDRBZJS-IUODEOHRSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H]1CN(C(=O)c2cccc(Cl)c2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571254338 953338222 /nfs/dbraw/zinc/33/82/22/953338222.db2.gz BXCLCQHTIXKOCH-IINYFYTJSA-N -1 1 384.831 1.883 20 0 GDADMM C[C@H]1CN(C(=O)c2cccc(Cl)c2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571254338 953338226 /nfs/dbraw/zinc/33/82/26/953338226.db2.gz BXCLCQHTIXKOCH-IINYFYTJSA-N -1 1 384.831 1.883 20 0 GDADMM CC(C)(C)OC(=O)COc1cccc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)c1 ZINC001571255029 953344598 /nfs/dbraw/zinc/34/45/98/953344598.db2.gz FSGSPARHSGRDME-UHFFFAOYSA-N -1 1 385.384 1.563 20 0 GDADMM Cc1cccc(Cl)c1C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571255880 953358410 /nfs/dbraw/zinc/35/84/10/953358410.db2.gz QSNDZYZPVACMJK-XYPYZODXSA-N -1 1 384.831 1.991 20 0 GDADMM Cc1cccc(Cl)c1C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571255880 953358417 /nfs/dbraw/zinc/35/84/17/953358417.db2.gz QSNDZYZPVACMJK-XYPYZODXSA-N -1 1 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Cc1nnc2n1C[C@@H](C[N-]S(=O)(=O)c1c(Cl)ccnc1Cl)CC2 ZINC000272275623 532088767 /nfs/dbraw/zinc/08/87/67/532088767.db2.gz XJAMFLTXPKNPLA-SECBINFHSA-N -1 1 376.269 1.829 20 0 GDADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000329550241 532106147 /nfs/dbraw/zinc/10/61/47/532106147.db2.gz FMCGFRYJXODLOP-OPQQBVKSSA-N -1 1 393.292 1.501 20 0 GDADMM O=S(=O)([N-]c1ccn(-c2cccc(C(F)(F)F)c2)n1)N1CCOCC1 ZINC000272823945 532117174 /nfs/dbraw/zinc/11/71/74/532117174.db2.gz KMRYGOKIDLJWLK-UHFFFAOYSA-N -1 1 376.360 1.880 20 0 GDADMM CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)[N-]N2CCCNC2=O)c1 ZINC000272918911 532122930 /nfs/dbraw/zinc/12/29/30/532122930.db2.gz JJVOERWJYYKLPE-UHFFFAOYSA-N -1 1 388.877 1.477 20 0 GDADMM COC(=O)c1cnc([C@H](C)[N-]S(=O)(=O)c2cc(C(=O)OC)c(C)o2)s1 ZINC000425197992 532126522 /nfs/dbraw/zinc/12/65/22/532126522.db2.gz CTMZCDYCIMUGTL-ZETCQYMHSA-N -1 1 388.423 1.657 20 0 GDADMM COC(=O)c1cnc([C@H](C)[N-]S(=O)(=O)c2cccnc2C(=O)OC)s1 ZINC000425212286 532129393 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20 0 GDADMM Cc1noc(C[N-]S(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)n1 ZINC000428067940 532197747 /nfs/dbraw/zinc/19/77/47/532197747.db2.gz WSPRWDWHEZJFKS-UHFFFAOYSA-N -1 1 386.499 1.623 20 0 GDADMM CN(C)S(=O)(=O)C[C@@H](NC(=O)Nc1ccc([O-])c(Cl)c1)C(F)(F)F ZINC000286983433 532189314 /nfs/dbraw/zinc/18/93/14/532189314.db2.gz CRWHVZFWFPUCOO-SNVBAGLBSA-N -1 1 389.783 1.989 20 0 GDADMM COCCOCCOCCCNC(=O)c1cc(Br)ccc1[O-] ZINC000274513065 532215619 /nfs/dbraw/zinc/21/56/19/532215619.db2.gz HPSOQNRERDXXGN-UHFFFAOYSA-N -1 1 376.247 1.954 20 0 GDADMM Cn1ccc(NC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)n1 ZINC000429337911 532227723 /nfs/dbraw/zinc/22/77/23/532227723.db2.gz ZXFZOBVGKIDKNH-UHFFFAOYSA-N -1 1 396.778 2.009 20 0 GDADMM NC(=O)C1([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CCOCC1 ZINC000376790146 532229030 /nfs/dbraw/zinc/22/90/30/532229030.db2.gz VPDDLOHZVRLXHV-UHFFFAOYSA-N -1 1 387.672 1.960 20 0 GDADMM O=C([O-])[C@@H]1[C@H]2CCCN2CCN1S(=O)(=O)c1cccc(Br)c1 ZINC000377113796 532243126 /nfs/dbraw/zinc/24/31/26/532243126.db2.gz KVZXIODWGOHFFU-OLZOCXBDSA-N -1 1 389.271 1.371 20 0 GDADMM CN(Cc1c(F)cccc1Cl)S(=O)(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000274991221 532250524 /nfs/dbraw/zinc/25/05/24/532250524.db2.gz ZFSXZSQHFFMNCG-ZDUSSCGKSA-N -1 1 390.824 1.164 20 0 GDADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@@H]2CCC(F)(F)C2)c(F)c1 ZINC000429911441 532239102 /nfs/dbraw/zinc/23/91/02/532239102.db2.gz RSSUAGKTVXCEHI-SECBINFHSA-N -1 1 386.417 1.911 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2CCO)c(Br)o1 ZINC000275030492 532255514 /nfs/dbraw/zinc/25/55/14/532255514.db2.gz AGMBEAQYYKKMND-BDAKNGLRSA-N -1 1 396.259 1.658 20 0 GDADMM O=C([O-])[C@@H](CN1CCCCC1)NS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000275056091 532258974 /nfs/dbraw/zinc/25/89/74/532258974.db2.gz YBTOMPIFRCKWTD-LLVKDONJSA-N -1 1 386.861 1.205 20 0 GDADMM O=C([O-])[C@H](CN1CCCCC1)NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000275065409 532259762 /nfs/dbraw/zinc/25/97/62/532259762.db2.gz ZQTUJRMHZVPPMR-ZDUSSCGKSA-N -1 1 380.388 1.923 20 0 GDADMM CCN1C(=O)[C@H]2CN(C(=O)c3cc(Br)ccc3[O-])CCN2C1=O ZINC000378058299 532280915 /nfs/dbraw/zinc/28/09/15/532280915.db2.gz LRTPMQMGWYOJTE-LLVKDONJSA-N -1 1 382.214 1.263 20 0 GDADMM COC(=O)c1ncsc1S(=O)(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000275291812 532285002 /nfs/dbraw/zinc/28/50/02/532285002.db2.gz PLJBLSANWDTLRJ-NSHDSACASA-N -1 1 384.435 1.814 20 0 GDADMM O=C([O-])[C@@H](Cc1cnc[nH]1)NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000392202342 532298877 /nfs/dbraw/zinc/29/88/77/532298877.db2.gz ZYQIVHVLUBQFCM-SNVBAGLBSA-N -1 1 395.771 1.639 20 0 GDADMM CSc1nnc(C[N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)s1 ZINC000275563886 532300146 /nfs/dbraw/zinc/30/01/46/532300146.db2.gz FHFKEHOKULPOQY-UHFFFAOYSA-N -1 1 379.510 1.142 20 0 GDADMM CCOC(=O)[C@H]([N-]S(=O)(=O)[C@H]1CCO[C@@H]1C)c1ccc(OC)c(F)c1 ZINC000276205650 532322802 /nfs/dbraw/zinc/32/28/02/532322802.db2.gz OBSCJKCEDRGMQM-WKPIXPDZSA-N -1 1 375.418 1.535 20 0 GDADMM C[C@H](NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1nncn1C ZINC000289405956 532323345 /nfs/dbraw/zinc/32/33/45/532323345.db2.gz AWJYDCJPDPGKBM-QMMMGPOBSA-N -1 1 392.268 1.278 20 0 GDADMM CCN(C(=O)[C@H](C)Sc1nc(C(F)F)cc(=O)[n-]1)[C@H]1CCS(=O)(=O)C1 ZINC000289615016 532329508 /nfs/dbraw/zinc/32/95/08/532329508.db2.gz UPYUCYPRQHKOGD-IUCAKERBSA-N -1 1 395.453 1.636 20 0 GDADMM COc1ncccc1CC[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000289651475 532330124 /nfs/dbraw/zinc/33/01/24/532330124.db2.gz VMRDGEJEHSJHLD-UHFFFAOYSA-N -1 1 389.275 1.416 20 0 GDADMM O=S(=O)([N-]c1ccc(O[C@H]2CCOC2)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000738343263 598845593 /nfs/dbraw/zinc/84/55/93/598845593.db2.gz VVZOWMCJBSZVKW-HNNXBMFYSA-N -1 1 387.421 1.835 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCc1nc(-c2ccncc2)no1 ZINC000737488358 598860081 /nfs/dbraw/zinc/86/00/81/598860081.db2.gz SVFSIILMPGTDJI-UHFFFAOYSA-N -1 1 388.395 1.756 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCc1nc(-c2ccncc2)no1 ZINC000737488358 598860083 /nfs/dbraw/zinc/86/00/83/598860083.db2.gz SVFSIILMPGTDJI-UHFFFAOYSA-N -1 1 388.395 1.756 20 0 GDADMM O=C(Cn1cnnc1-c1nn[n-]n1)NCCC(c1ccccc1)c1ccccc1 ZINC000737987947 598876356 /nfs/dbraw/zinc/87/63/56/598876356.db2.gz FBJCFHPABGCSFE-UHFFFAOYSA-N -1 1 388.435 1.797 20 0 GDADMM CCNC(=O)CNC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000736576286 598890878 /nfs/dbraw/zinc/89/08/78/598890878.db2.gz OZEBWIRVECTJQN-UHFFFAOYSA-N -1 1 385.453 1.531 20 0 GDADMM CNS(=O)(=O)c1cccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000736887312 598936011 /nfs/dbraw/zinc/93/60/11/598936011.db2.gz OEYFRIJPYHEXAB-UHFFFAOYSA-N -1 1 396.436 1.330 20 0 GDADMM CNS(=O)(=O)c1cccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000736887312 598936012 /nfs/dbraw/zinc/93/60/12/598936012.db2.gz OEYFRIJPYHEXAB-UHFFFAOYSA-N -1 1 396.436 1.330 20 0 GDADMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)ccc1F ZINC000736951255 598946849 /nfs/dbraw/zinc/94/68/49/598946849.db2.gz QAYOCSNEORQOGB-UHFFFAOYSA-N -1 1 391.384 1.902 20 0 GDADMM Cc1nnnn1-c1cccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)c1 ZINC000737226047 598947593 /nfs/dbraw/zinc/94/75/93/598947593.db2.gz ZKZBQKHBYOFXBR-UHFFFAOYSA-N -1 1 397.424 1.260 20 0 GDADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc(-c2nc[nH]n2)cc1 ZINC000737223599 598950299 /nfs/dbraw/zinc/95/02/99/598950299.db2.gz AHEJXNLQBWHSNL-UHFFFAOYSA-N -1 1 382.409 1.761 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC[C@H]1CCCC[C@@H]1O ZINC000737486976 598953473 /nfs/dbraw/zinc/95/34/73/598953473.db2.gz HDWASJYZKYVMEZ-CJNGLKHVSA-N -1 1 398.471 1.126 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC[C@H]1CCCC[C@@H]1O ZINC000737486976 598953475 /nfs/dbraw/zinc/95/34/75/598953475.db2.gz HDWASJYZKYVMEZ-CJNGLKHVSA-N -1 1 398.471 1.126 20 0 GDADMM CCN(CC)C(=O)N1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000736529786 598958110 /nfs/dbraw/zinc/95/81/10/598958110.db2.gz RMYOWTOJJNDPMH-UHFFFAOYSA-N -1 1 381.444 1.394 20 0 GDADMM CCN(CC)C(=O)N1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000736529786 598958111 /nfs/dbraw/zinc/95/81/11/598958111.db2.gz RMYOWTOJJNDPMH-UHFFFAOYSA-N -1 1 381.444 1.394 20 0 GDADMM O[C@@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)COc1ccc(F)c(F)c1 ZINC000738380972 598968145 /nfs/dbraw/zinc/96/81/45/598968145.db2.gz FCUYZJGRBNWCKJ-JTQLQIEISA-N -1 1 399.361 1.940 20 0 GDADMM O[C@@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)COc1ccc(F)c(F)c1 ZINC000738380972 598968146 /nfs/dbraw/zinc/96/81/46/598968146.db2.gz FCUYZJGRBNWCKJ-JTQLQIEISA-N -1 1 399.361 1.940 20 0 GDADMM Cc1c([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cccc1-c1nn[nH]n1 ZINC000822130207 607255806 /nfs/dbraw/zinc/25/58/06/607255806.db2.gz QPPTVLCLGZUYJW-UHFFFAOYSA-N -1 1 382.405 1.817 20 0 GDADMM O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738173965 598979575 /nfs/dbraw/zinc/97/95/75/598979575.db2.gz HPAUZWMRGNYPCY-UHFFFAOYSA-N -1 1 399.436 1.299 20 0 GDADMM O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738173965 598979576 /nfs/dbraw/zinc/97/95/76/598979576.db2.gz HPAUZWMRGNYPCY-UHFFFAOYSA-N -1 1 399.436 1.299 20 0 GDADMM COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736949175 598980325 /nfs/dbraw/zinc/98/03/25/598980325.db2.gz FTYPMUSSTNGZOS-UHFFFAOYSA-N -1 1 384.352 1.318 20 0 GDADMM COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736949175 598980328 /nfs/dbraw/zinc/98/03/28/598980328.db2.gz FTYPMUSSTNGZOS-UHFFFAOYSA-N -1 1 384.352 1.318 20 0 GDADMM O=C(NCc1nnc2ccc(C(F)(F)F)cn21)c1ccc(-c2nnn[n-]2)nc1 ZINC000738123414 598985310 /nfs/dbraw/zinc/98/53/10/598985310.db2.gz QBLQEGWSUGOASN-UHFFFAOYSA-N -1 1 389.301 1.253 20 0 GDADMM O=C(NCc1nnc2ccc(C(F)(F)F)cn21)c1ccc(-c2nn[n-]n2)nc1 ZINC000738123414 598985311 /nfs/dbraw/zinc/98/53/11/598985311.db2.gz QBLQEGWSUGOASN-UHFFFAOYSA-N -1 1 389.301 1.253 20 0 GDADMM COc1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)ccc1N1CCCC1=O ZINC000737054561 598986426 /nfs/dbraw/zinc/98/64/26/598986426.db2.gz UFKSEBIXXACHTR-UHFFFAOYSA-N -1 1 379.380 1.649 20 0 GDADMM COc1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)ccc1N1CCCC1=O ZINC000737054561 598986428 /nfs/dbraw/zinc/98/64/28/598986428.db2.gz UFKSEBIXXACHTR-UHFFFAOYSA-N -1 1 379.380 1.649 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000738258746 598987130 /nfs/dbraw/zinc/98/71/30/598987130.db2.gz MNANIPHKROZVCR-UHFFFAOYSA-N -1 1 397.826 1.513 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000738258746 598987131 /nfs/dbraw/zinc/98/71/31/598987131.db2.gz MNANIPHKROZVCR-UHFFFAOYSA-N -1 1 397.826 1.513 20 0 GDADMM CCN(CC)C(=O)COc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736528979 598991275 /nfs/dbraw/zinc/99/12/75/598991275.db2.gz GUNANNWGWRJDCU-UHFFFAOYSA-N -1 1 395.423 1.761 20 0 GDADMM CCN(CC)C(=O)COc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736528979 598991277 /nfs/dbraw/zinc/99/12/77/598991277.db2.gz GUNANNWGWRJDCU-UHFFFAOYSA-N -1 1 395.423 1.761 20 0 GDADMM Cc1ccc([C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)nc2)N2CCOCC2)cc1 ZINC000737321291 598996217 /nfs/dbraw/zinc/99/62/17/598996217.db2.gz SLOZXQUAINLKNG-GOSISDBHSA-N -1 1 393.451 1.373 20 0 GDADMM Cc1ccc([C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)nc2)N2CCOCC2)cc1 ZINC000737321291 598996219 /nfs/dbraw/zinc/99/62/19/598996219.db2.gz SLOZXQUAINLKNG-GOSISDBHSA-N -1 1 393.451 1.373 20 0 GDADMM O=C(NCCOc1ccc(Br)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738089690 598999948 /nfs/dbraw/zinc/99/99/48/598999948.db2.gz PLSSKPKMQHQOJI-UHFFFAOYSA-N -1 1 389.213 1.833 20 0 GDADMM O=C(NCCOc1ccc(Br)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738089690 598999950 /nfs/dbraw/zinc/99/99/50/598999950.db2.gz PLSSKPKMQHQOJI-UHFFFAOYSA-N -1 1 389.213 1.833 20 0 GDADMM CCc1cc(N2CCC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)nc3)C2)ncn1 ZINC000736675370 599006510 /nfs/dbraw/zinc/00/65/10/599006510.db2.gz KLMQMUMSRYXSAG-AWEZNQCLSA-N -1 1 379.428 1.013 20 0 GDADMM CCc1cc(N2CCC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)nc3)C2)ncn1 ZINC000736675370 599006512 /nfs/dbraw/zinc/00/65/12/599006512.db2.gz KLMQMUMSRYXSAG-AWEZNQCLSA-N -1 1 379.428 1.013 20 0 GDADMM CC[C@@H](NC(=S)NCCCc1[nH]nc(N)c1-c1nnn[n-]1)c1cccs1 ZINC000736370718 599013689 /nfs/dbraw/zinc/01/36/89/599013689.db2.gz OESVHHRULGZMIG-SECBINFHSA-N -1 1 391.530 1.782 20 0 GDADMM CC[C@@H](NC(=S)NCCCc1[nH]nc(N)c1-c1nn[n-]n1)c1cccs1 ZINC000736370718 599013690 /nfs/dbraw/zinc/01/36/90/599013690.db2.gz OESVHHRULGZMIG-SECBINFHSA-N -1 1 391.530 1.782 20 0 GDADMM CC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)c(F)c1 ZINC000735495778 599019018 /nfs/dbraw/zinc/01/90/18/599019018.db2.gz NHGUUSJNLORKEK-UHFFFAOYSA-N -1 1 395.398 1.566 20 0 GDADMM CC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)c(F)c1 ZINC000735495778 599019020 /nfs/dbraw/zinc/01/90/20/599019020.db2.gz NHGUUSJNLORKEK-UHFFFAOYSA-N -1 1 395.398 1.566 20 0 GDADMM CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736748803 599028234 /nfs/dbraw/zinc/02/82/34/599028234.db2.gz KVARHGZDKYDHBR-CYBMUJFWSA-N -1 1 387.444 1.733 20 0 GDADMM CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736748803 599028236 /nfs/dbraw/zinc/02/82/36/599028236.db2.gz KVARHGZDKYDHBR-CYBMUJFWSA-N -1 1 387.444 1.733 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H](C2N=NC(=S)N2C2CC2)C1 ZINC000738259264 599032162 /nfs/dbraw/zinc/03/21/62/599032162.db2.gz PNMBGKOATSZMRE-LLVKDONJSA-N -1 1 397.468 1.497 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H](C2N=NC(=S)N2C2CC2)C1 ZINC000738259264 599032163 /nfs/dbraw/zinc/03/21/63/599032163.db2.gz PNMBGKOATSZMRE-LLVKDONJSA-N -1 1 397.468 1.497 20 0 GDADMM CCO[C@H]1C[C@@H](O)C12CCN(c1c3ccccc3nnc1-c1nnn[n-]1)CC2 ZINC000736611060 599046669 /nfs/dbraw/zinc/04/66/69/599046669.db2.gz IKNGYAHRHGDDKP-CABCVRRESA-N -1 1 381.440 1.566 20 0 GDADMM CCO[C@H]1C[C@@H](O)C12CCN(c1c3ccccc3nnc1-c1nn[n-]n1)CC2 ZINC000736611060 599046672 /nfs/dbraw/zinc/04/66/72/599046672.db2.gz IKNGYAHRHGDDKP-CABCVRRESA-N -1 1 381.440 1.566 20 0 GDADMM O=C(Cc1cccc(Cl)c1)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000823111793 599080796 /nfs/dbraw/zinc/08/07/96/599080796.db2.gz NNUZMZQQFSSYSI-UHFFFAOYSA-N -1 1 383.843 1.806 20 0 GDADMM O=C(Cc1cccc(Cl)c1)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000823111793 599080799 /nfs/dbraw/zinc/08/07/99/599080799.db2.gz NNUZMZQQFSSYSI-UHFFFAOYSA-N -1 1 383.843 1.806 20 0 GDADMM Cc1ccc2c(c1)OCCN2S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737377252 599098140 /nfs/dbraw/zinc/09/81/40/599098140.db2.gz MHLLLLSJQGCMFW-UHFFFAOYSA-N -1 1 375.385 1.902 20 0 GDADMM CCc1nsc(N2CCN(c3snc(Cl)c3-c3nnn[n-]3)CC2)n1 ZINC000821559178 599099477 /nfs/dbraw/zinc/09/94/77/599099477.db2.gz XYLMMVGDJVNSRL-UHFFFAOYSA-N -1 1 383.894 1.717 20 0 GDADMM CCc1nsc(N2CCN(c3snc(Cl)c3-c3nn[n-]n3)CC2)n1 ZINC000821559178 599099479 /nfs/dbraw/zinc/09/94/79/599099479.db2.gz XYLMMVGDJVNSRL-UHFFFAOYSA-N -1 1 383.894 1.717 20 0 GDADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CS[C@@H](C)C(C)C)CC2)o1 ZINC000822423163 599131532 /nfs/dbraw/zinc/13/15/32/599131532.db2.gz IIEMFUYAZXMUKT-NSHDSACASA-N -1 1 379.490 1.589 20 0 GDADMM COc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)c(OC)c1 ZINC000737065826 599135272 /nfs/dbraw/zinc/13/52/72/599135272.db2.gz PLNVQWQRQYEDEO-SNVBAGLBSA-N -1 1 383.364 1.707 20 0 GDADMM COc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)c(OC)c1 ZINC000737065826 599135275 /nfs/dbraw/zinc/13/52/75/599135275.db2.gz PLNVQWQRQYEDEO-SNVBAGLBSA-N -1 1 383.364 1.707 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000736156338 599135979 /nfs/dbraw/zinc/13/59/79/599135979.db2.gz AGOCXJANYAAMNI-SECBINFHSA-N -1 1 382.336 1.174 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000736156338 599135980 /nfs/dbraw/zinc/13/59/80/599135980.db2.gz AGOCXJANYAAMNI-SECBINFHSA-N -1 1 382.336 1.174 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@@H](C)[C@@H]1CCOC1 ZINC000737488859 599208735 /nfs/dbraw/zinc/20/87/35/599208735.db2.gz YTGBYNMZEARLDC-GXFFZTMASA-N -1 1 384.444 1.000 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@@H](C)[C@@H]1CCOC1 ZINC000737488859 599208737 /nfs/dbraw/zinc/20/87/37/599208737.db2.gz YTGBYNMZEARLDC-GXFFZTMASA-N -1 1 384.444 1.000 20 0 GDADMM Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN1CCC(C(=O)[O-])CC1 ZINC000262672698 596921221 /nfs/dbraw/zinc/92/12/21/596921221.db2.gz SJCXBTSIANDFDF-UHFFFAOYSA-N -1 1 384.480 1.961 20 0 GDADMM O=C([O-])C1(NCC(=O)N([C@@H]2CCS(=O)(=O)C2)C2CCCCC2)CCCC1 ZINC000533203290 597079263 /nfs/dbraw/zinc/07/92/63/597079263.db2.gz VNSWSGVUCRLBQT-OAHLLOKOSA-N -1 1 386.514 1.322 20 0 GDADMM CCCn1c(CO)nnc1Sc1nnc(CC)c(CC)c1-c1nn[n-]n1 ZINC000821149370 607306076 /nfs/dbraw/zinc/30/60/76/607306076.db2.gz XBYTUSQSOQTMCE-UHFFFAOYSA-N -1 1 375.462 1.427 20 0 GDADMM O=C([O-])[C@@H]1CCN(CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)C1 ZINC000262628978 597534348 /nfs/dbraw/zinc/53/43/48/597534348.db2.gz GOWFRXCALYMSHX-SNVBAGLBSA-N -1 1 383.330 1.631 20 0 GDADMM C[S@](=O)CC[NH+]1CCN(c2ccc(C(F)(F)F)cc2-c2nn[nH]n2)CC1 ZINC000821942109 607326414 /nfs/dbraw/zinc/32/64/14/607326414.db2.gz LFUZFYIUOYLRSP-SANMLTNESA-N -1 1 388.419 1.386 20 0 GDADMM CC1(C)CN=C(N2CCN(c3snc(Cl)c3-c3nnn[n-]3)CC2)S1 ZINC000820606977 607328464 /nfs/dbraw/zinc/32/84/64/607328464.db2.gz HKWNBLJSOOSNOE-UHFFFAOYSA-N -1 1 384.922 1.980 20 0 GDADMM CC1(C)CN=C(N2CCN(c3snc(Cl)c3-c3nn[n-]n3)CC2)S1 ZINC000820606977 607328465 /nfs/dbraw/zinc/32/84/65/607328465.db2.gz HKWNBLJSOOSNOE-UHFFFAOYSA-N -1 1 384.922 1.980 20 0 GDADMM CC(C)[C@@H](NCC(=O)NCC(=O)Nc1ccccc1Br)C(=O)[O-] ZINC000820041725 598188552 /nfs/dbraw/zinc/18/85/52/598188552.db2.gz ORSHHKXZBNPMCJ-CQSZACIVSA-N -1 1 386.246 1.203 20 0 GDADMM CC(=O)c1ccc(N2CCN(C(=O)CN[C@@H](C(=O)[O-])C(C)C)CC2)c(F)c1 ZINC000819804982 598189051 /nfs/dbraw/zinc/18/90/51/598189051.db2.gz VHJTXOOHASDVLC-GOSISDBHSA-N -1 1 379.432 1.376 20 0 GDADMM CCCCOc1ncccc1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736462472 598268694 /nfs/dbraw/zinc/26/86/94/598268694.db2.gz GPHKAIIPAKMZOO-UHFFFAOYSA-N -1 1 389.441 1.314 20 0 GDADMM CCCCOc1ncccc1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736462472 598268695 /nfs/dbraw/zinc/26/86/95/598268695.db2.gz GPHKAIIPAKMZOO-UHFFFAOYSA-N -1 1 389.441 1.314 20 0 GDADMM COc1ccccc1C1(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000737149714 598272258 /nfs/dbraw/zinc/27/22/58/598272258.db2.gz ZIIRUZZMMLRCLE-UHFFFAOYSA-N -1 1 386.437 1.280 20 0 GDADMM COc1ccccc1C1(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000737149714 598272259 /nfs/dbraw/zinc/27/22/59/598272259.db2.gz ZIIRUZZMMLRCLE-UHFFFAOYSA-N -1 1 386.437 1.280 20 0 GDADMM Nc1n[nH]c(CCCNC(=O)Nc2cccc(C(F)F)c2)c1-c1nnn[n-]1 ZINC000737775784 598292971 /nfs/dbraw/zinc/29/29/71/598292971.db2.gz CDEZPGAPASQHSS-UHFFFAOYSA-N -1 1 377.359 1.864 20 0 GDADMM Nc1n[nH]c(CCCNC(=O)Nc2cccc(C(F)F)c2)c1-c1nn[n-]n1 ZINC000737775784 598292972 /nfs/dbraw/zinc/29/29/72/598292972.db2.gz CDEZPGAPASQHSS-UHFFFAOYSA-N -1 1 377.359 1.864 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCc2ccc([C@@H](C)O)cc2)cc1-c1nn[n-]n1 ZINC000737185793 598302433 /nfs/dbraw/zinc/30/24/33/598302433.db2.gz CPUOOZLFPPBFIS-SECBINFHSA-N -1 1 386.437 1.673 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCc2ccc([C@H](C)O)cc2)cc1-c1nn[n-]n1 ZINC000737185796 598302445 /nfs/dbraw/zinc/30/24/45/598302445.db2.gz CPUOOZLFPPBFIS-VIFPVBQESA-N -1 1 386.437 1.673 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(CNc3nccnc3-c3nnn[n-]3)cc2)C[C@H](C)O1 ZINC000736290065 598348191 /nfs/dbraw/zinc/34/81/91/598348191.db2.gz GRZSMATURKWVIJ-STQMWFEESA-N -1 1 394.439 1.518 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(CNc3nccnc3-c3nn[n-]n3)cc2)C[C@H](C)O1 ZINC000736290065 598348192 /nfs/dbraw/zinc/34/81/92/598348192.db2.gz GRZSMATURKWVIJ-STQMWFEESA-N -1 1 394.439 1.518 20 0 GDADMM Clc1ccc([C@H](CNc2nccnc2-c2nnn[n-]2)N2CCOCC2)cc1 ZINC000737571110 598350204 /nfs/dbraw/zinc/35/02/04/598350204.db2.gz SANAGPAWXMYSNF-AWEZNQCLSA-N -1 1 386.847 1.796 20 0 GDADMM Clc1ccc([C@H](CNc2nccnc2-c2nn[n-]n2)N2CCOCC2)cc1 ZINC000737571110 598350206 /nfs/dbraw/zinc/35/02/06/598350206.db2.gz SANAGPAWXMYSNF-AWEZNQCLSA-N -1 1 386.847 1.796 20 0 GDADMM Cc1oc(NC(=O)CN2CCn3c(nnc3C(C)C)C2)c(-c2nn[n-]n2)c1C ZINC000737551052 598351875 /nfs/dbraw/zinc/35/18/75/598351875.db2.gz DCAZLDSJUQKPLJ-UHFFFAOYSA-N -1 1 385.432 1.246 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1ccc(C(N)=O)c(F)c1 ZINC000737201314 598367025 /nfs/dbraw/zinc/36/70/25/598367025.db2.gz RDHDLMYMOFZVEV-UHFFFAOYSA-N -1 1 399.386 1.393 20 0 GDADMM CNC(=O)CN(C)C(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736872758 598400040 /nfs/dbraw/zinc/40/00/40/598400040.db2.gz AJFPXHIIFOIQMF-UHFFFAOYSA-N -1 1 384.371 1.616 20 0 GDADMM CNC(=O)CN(C)C(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736872758 598400042 /nfs/dbraw/zinc/40/00/42/598400042.db2.gz AJFPXHIIFOIQMF-UHFFFAOYSA-N -1 1 384.371 1.616 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCc2cn3c(n2)CCCC3)cc1-c1nn[n-]n1 ZINC000737188033 598408396 /nfs/dbraw/zinc/40/83/96/598408396.db2.gz WHFSSZCDIIBPQL-UHFFFAOYSA-N -1 1 386.441 1.152 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCN(c3ccccc3)C2)cc1-c1nn[n-]n1 ZINC000737187468 598409025 /nfs/dbraw/zinc/40/90/25/598409025.db2.gz RVEAZKRXQKJKPI-LLVKDONJSA-N -1 1 397.464 1.698 20 0 GDADMM Cc1ccc(-n2nc(C(=O)n3ncc(-c4nn[n-]n4)c3N)c3c2CCC3)c(C)c1 ZINC000737305325 598409513 /nfs/dbraw/zinc/40/95/13/598409513.db2.gz GZVUYFHHGKWMTR-UHFFFAOYSA-N -1 1 389.423 1.625 20 0 GDADMM COC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)c1ccccc1 ZINC000736976983 598424823 /nfs/dbraw/zinc/42/48/23/598424823.db2.gz IMBPVXBWAWUXSS-CYBMUJFWSA-N -1 1 386.437 1.807 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCCOCC1CC1 ZINC000737488425 598496712 /nfs/dbraw/zinc/49/67/12/598496712.db2.gz UZCSHYCCBZWDTB-UHFFFAOYSA-N -1 1 384.444 1.002 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCCOCC1CC1 ZINC000737488425 598496713 /nfs/dbraw/zinc/49/67/13/598496713.db2.gz UZCSHYCCBZWDTB-UHFFFAOYSA-N -1 1 384.444 1.002 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)Nc1ccc(Cl)nn1 ZINC000737487801 598504257 /nfs/dbraw/zinc/50/42/57/598504257.db2.gz NJHPPIVOGRIUQQ-UHFFFAOYSA-N -1 1 398.818 1.541 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)Nc1ccc(Cl)nn1 ZINC000737487801 598504258 /nfs/dbraw/zinc/50/42/58/598504258.db2.gz NJHPPIVOGRIUQQ-UHFFFAOYSA-N -1 1 398.818 1.541 20 0 GDADMM O=S(=O)([N-]c1ccc2c(c1)OC(F)(F)O2)c1ccc(-c2nn[nH]n2)cc1 ZINC000738341667 598514139 /nfs/dbraw/zinc/51/41/39/598514139.db2.gz IZYCXCFPOWZNAH-UHFFFAOYSA-N -1 1 381.320 1.989 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@@H](C)c2nc(C)cs2)cc1-c1nn[n-]n1 ZINC000737185817 598530380 /nfs/dbraw/zinc/53/03/80/598530380.db2.gz CYOINYLKSUTQFQ-ZETCQYMHSA-N -1 1 377.455 1.945 20 0 GDADMM COCCN1C(=O)c2ccccc2N[C@H]1c1cnc2c(-c3nnn[n-]3)cnn2c1 ZINC000737008821 598543955 /nfs/dbraw/zinc/54/39/55/598543955.db2.gz VLAMHIXADXLCBI-MRXNPFEDSA-N -1 1 391.395 1.122 20 0 GDADMM COCCN1C(=O)c2ccccc2N[C@H]1c1cnc2c(-c3nn[n-]n3)cnn2c1 ZINC000737008821 598543957 /nfs/dbraw/zinc/54/39/57/598543957.db2.gz VLAMHIXADXLCBI-MRXNPFEDSA-N -1 1 391.395 1.122 20 0 GDADMM Cc1ccc(C(=O)n2ncc(-c3nn[n-]n3)c2N)cc1I ZINC000737318210 598556565 /nfs/dbraw/zinc/55/65/65/598556565.db2.gz TXBGAZHFWTWTLE-UHFFFAOYSA-N -1 1 395.164 1.247 20 0 GDADMM COc1ccc(OC)c2c1CN(c1ccc(Cl)c(-c3nnn[n-]3)n1)C[C@@H]2O ZINC000737109898 598571300 /nfs/dbraw/zinc/57/13/00/598571300.db2.gz OXDRCXPQFRQIEH-NSHDSACASA-N -1 1 388.815 1.986 20 0 GDADMM COc1ccc(OC)c2c1CN(c1ccc(Cl)c(-c3nn[n-]n3)n1)C[C@@H]2O ZINC000737109898 598571302 /nfs/dbraw/zinc/57/13/02/598571302.db2.gz OXDRCXPQFRQIEH-NSHDSACASA-N -1 1 388.815 1.986 20 0 GDADMM O=C1OCc2ccc(S(=O)(=O)[N-]c3ccc(F)c(-c4nn[nH]n4)c3)cc21 ZINC000738314553 598594590 /nfs/dbraw/zinc/59/45/90/598594590.db2.gz VEGYMGDKDZPLIS-UHFFFAOYSA-N -1 1 375.341 1.477 20 0 GDADMM COc1ccc(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1OC ZINC000737096618 598686956 /nfs/dbraw/zinc/68/69/56/598686956.db2.gz XLCLZPJUIPZLEJ-UHFFFAOYSA-N -1 1 393.400 1.502 20 0 GDADMM COc1cccc(COC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)n1 ZINC000737131922 598800675 /nfs/dbraw/zinc/80/06/75/598800675.db2.gz ITINRJJIZDRGHJ-UHFFFAOYSA-N -1 1 384.396 1.664 20 0 GDADMM CNS(=O)(=O)CCCSc1nc(C)cc(C(F)(F)F)c1-c1nn[n-]n1 ZINC000736884597 598803450 /nfs/dbraw/zinc/80/34/50/598803450.db2.gz WABHFZLDDNBHSD-UHFFFAOYSA-N -1 1 396.420 1.620 20 0 GDADMM CN1C(=O)COc2ccc([N-]S(=O)(=O)c3cccc(-c4nn[nH]n4)c3)cc21 ZINC000821620580 599306059 /nfs/dbraw/zinc/30/60/59/599306059.db2.gz PIEYIDGHSYFQNY-UHFFFAOYSA-N -1 1 386.393 1.023 20 0 GDADMM CCOC(=O)CC1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000821326150 599335464 /nfs/dbraw/zinc/33/54/64/599335464.db2.gz UALYQUMPPPODEN-UHFFFAOYSA-N -1 1 397.432 1.360 20 0 GDADMM CCOC(=O)CC1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000821326150 599335467 /nfs/dbraw/zinc/33/54/67/599335467.db2.gz UALYQUMPPPODEN-UHFFFAOYSA-N -1 1 397.432 1.360 20 0 GDADMM CN(Cc1nccn1C(F)F)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000821618021 599335921 /nfs/dbraw/zinc/33/59/21/599335921.db2.gz MKTWSOHDSLBHLN-UHFFFAOYSA-N -1 1 387.347 1.418 20 0 GDADMM CN(Cc1nccn1C(F)F)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000821618021 599335923 /nfs/dbraw/zinc/33/59/23/599335923.db2.gz MKTWSOHDSLBHLN-UHFFFAOYSA-N -1 1 387.347 1.418 20 0 GDADMM COc1ccc(-c2nc(SCCOCCO)[nH]c(=O)c2-c2nn[n-]n2)cc1 ZINC000737055220 599368451 /nfs/dbraw/zinc/36/84/51/599368451.db2.gz AXYRZWRRVDDOPU-UHFFFAOYSA-N -1 1 390.425 1.139 20 0 GDADMM CC(=O)Nc1ccc(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c(F)c1 ZINC000819817417 599371321 /nfs/dbraw/zinc/37/13/21/599371321.db2.gz FLUUEAHFTXQYBL-UHFFFAOYSA-N -1 1 395.347 1.871 20 0 GDADMM C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000735560248 599410495 /nfs/dbraw/zinc/41/04/95/599410495.db2.gz CQKRPGDFDHHWHS-ZDUSSCGKSA-N -1 1 396.430 1.550 20 0 GDADMM C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000735560248 599410498 /nfs/dbraw/zinc/41/04/98/599410498.db2.gz CQKRPGDFDHHWHS-ZDUSSCGKSA-N -1 1 396.430 1.550 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N(Cc1cc[nH]n1)Cc1ccccc1 ZINC000738352949 599450773 /nfs/dbraw/zinc/45/07/73/599450773.db2.gz DKYURYHHDDZQTM-UHFFFAOYSA-N -1 1 396.436 1.376 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N(Cc1cc[nH]n1)Cc1ccccc1 ZINC000738352949 599450776 /nfs/dbraw/zinc/45/07/76/599450776.db2.gz DKYURYHHDDZQTM-UHFFFAOYSA-N -1 1 396.436 1.376 20 0 GDADMM CC1=C(C(=O)N2CCCCCC2)[C@H](c2ccc(-c3nnn[n-]3)o2)NC(=S)N1 ZINC000820634771 599492164 /nfs/dbraw/zinc/49/21/64/599492164.db2.gz JIQCOGFVAFZEID-AWEZNQCLSA-N -1 1 387.469 1.655 20 0 GDADMM CC1=C(C(=O)N2CCCCCC2)[C@H](c2ccc(-c3nn[n-]n3)o2)NC(=S)N1 ZINC000820634771 599492166 /nfs/dbraw/zinc/49/21/66/599492166.db2.gz JIQCOGFVAFZEID-AWEZNQCLSA-N -1 1 387.469 1.655 20 0 GDADMM COCCOC(=O)C1=C(C)N(C2CC2)C(=O)N[C@@H]1c1ccc(-c2nnn[n-]2)o1 ZINC000821691021 599493010 /nfs/dbraw/zinc/49/30/10/599493010.db2.gz FPAOBNIVLRUYFI-CQSZACIVSA-N -1 1 388.384 1.152 20 0 GDADMM COCCOC(=O)C1=C(C)N(C2CC2)C(=O)N[C@@H]1c1ccc(-c2nn[n-]n2)o1 ZINC000821691021 599493011 /nfs/dbraw/zinc/49/30/11/599493011.db2.gz FPAOBNIVLRUYFI-CQSZACIVSA-N -1 1 388.384 1.152 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)N(C)[C@H]2CCN(C)C2=O)c1-c1nn[n-]n1 ZINC000737188830 599573087 /nfs/dbraw/zinc/57/30/87/599573087.db2.gz HLTQUYXGPFUTII-LBPRGKRZSA-N -1 1 387.469 1.164 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCC(Cn2cccn2)CC1 ZINC000738354638 599596539 /nfs/dbraw/zinc/59/65/39/599596539.db2.gz IVQWSLTVZKSUEG-UHFFFAOYSA-N -1 1 391.432 1.303 20 0 GDADMM C[C@H](CC(N)=O)NC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000820225825 599675204 /nfs/dbraw/zinc/67/52/04/599675204.db2.gz QAYAIIXZMZKWIR-SNVBAGLBSA-N -1 1 385.453 1.658 20 0 GDADMM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc(-n2cccn2)c1 ZINC000820446391 599682996 /nfs/dbraw/zinc/68/29/96/599682996.db2.gz VYZATDHWCZIQJB-LBPRGKRZSA-N -1 1 396.436 1.487 20 0 GDADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc(-n2cccn2)c1 ZINC000820446391 599682997 /nfs/dbraw/zinc/68/29/97/599682997.db2.gz VYZATDHWCZIQJB-LBPRGKRZSA-N -1 1 396.436 1.487 20 0 GDADMM O=C([O-])c1ccc(F)c(S(=O)(=O)NCc2n[nH]c(-c3ccccc3)n2)c1 ZINC000740143723 599713974 /nfs/dbraw/zinc/71/39/74/599713974.db2.gz IRXJGKHZKNJRCS-UHFFFAOYSA-N -1 1 376.369 1.788 20 0 GDADMM O=C([O-])c1ccc(F)c(S(=O)(=O)NCc2nc(-c3ccccc3)n[nH]2)c1 ZINC000740143723 599713977 /nfs/dbraw/zinc/71/39/77/599713977.db2.gz IRXJGKHZKNJRCS-UHFFFAOYSA-N -1 1 376.369 1.788 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCCN1CC(=O)NCCC(=O)[O-] ZINC000736274598 599714092 /nfs/dbraw/zinc/71/40/92/599714092.db2.gz VGUHIQJBQHFJNJ-CABCVRRESA-N -1 1 383.489 1.831 20 0 GDADMM O=C([O-])C1CCN(C(=O)CN2CCC(C(=O)Nc3ccc(F)cc3)CC2)CC1 ZINC000738545558 599786669 /nfs/dbraw/zinc/78/66/69/599786669.db2.gz WLAYTOUXGDPLMV-UHFFFAOYSA-N -1 1 391.443 1.799 20 0 GDADMM COc1ccnc(N2CCN(S(=O)(=O)c3ccc(C(=O)[O-])s3)CC2)c1 ZINC000738143552 599801338 /nfs/dbraw/zinc/80/13/38/599801338.db2.gz QEILCAUGBPWPML-UHFFFAOYSA-N -1 1 383.451 1.361 20 0 GDADMM C[C@H](Sc1ccccc1C(=O)N1CCN(C(=O)CN(C)C)CC1)C(=O)[O-] ZINC000736713388 599853668 /nfs/dbraw/zinc/85/36/68/599853668.db2.gz UELFCTMBLBENQO-ZDUSSCGKSA-N -1 1 379.482 1.098 20 0 GDADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000428039483 599862216 /nfs/dbraw/zinc/86/22/16/599862216.db2.gz FHOWXJXFTGDJHD-MLGOLLRUSA-N -1 1 380.404 1.493 20 0 GDADMM C[C@]1(c2ccc(Br)cc2)CC(=O)N(CN2CC[C@H](C(=O)[O-])C2)C1=O ZINC000736738956 599932611 /nfs/dbraw/zinc/93/26/11/599932611.db2.gz VQFDOYXTUDJFMW-APPDUMDISA-N -1 1 395.253 1.830 20 0 GDADMM CC1(C)CN(C2(CNC(=O)N3CCO[C@@H](C(=O)[O-])C3)CCCCC2)CCO1 ZINC000666527201 599958459 /nfs/dbraw/zinc/95/84/59/599958459.db2.gz SFWCQRJSDCHJIK-OAHLLOKOSA-N -1 1 383.489 1.295 20 0 GDADMM CC[C@H]1CN(CCn2cccn2)CCN1CC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000736944383 599968486 /nfs/dbraw/zinc/96/84/86/599968486.db2.gz SOPWAGYHJLPSMR-KRWDZBQOSA-N -1 1 391.516 1.183 20 0 GDADMM CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1CN1CCC[C@H](n2cncn2)C1 ZINC000737505528 599975618 /nfs/dbraw/zinc/97/56/18/599975618.db2.gz MUVALVLAVCYIMT-MAUKXSAKSA-N -1 1 396.451 1.650 20 0 GDADMM CN(CCN1CCCC1)S(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000315895119 599985133 /nfs/dbraw/zinc/98/51/33/599985133.db2.gz AGUYMECWYDJKIX-UHFFFAOYSA-N -1 1 391.287 1.864 20 0 GDADMM CN(CC(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F)c1ncnc2[nH]cnc21 ZINC000737388209 599988701 /nfs/dbraw/zinc/98/87/01/599988701.db2.gz FHZRTZJCIICESR-LBPRGKRZSA-N -1 1 376.323 1.009 20 0 GDADMM O=C([O-])[C@@H](c1ccc(Cl)cc1)N1CCN(C[C@H](O)Cn2cccn2)CC1 ZINC000739512158 600000297 /nfs/dbraw/zinc/00/02/97/600000297.db2.gz MQMZPQSQWQZELA-DLBZAZTESA-N -1 1 378.860 1.341 20 0 GDADMM Cc1onc2c1c(C(=O)[O-])nn(CN1CCN(C)C[C@@H]1c1ccccc1)c2=O ZINC000738988567 600033305 /nfs/dbraw/zinc/03/33/05/600033305.db2.gz ZMONHXQWIGLDRN-CQSZACIVSA-N -1 1 383.408 1.337 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CCN(C[C@H](O)COc2ccc(C(=O)[O-])cc2)C1 ZINC000736281378 600092653 /nfs/dbraw/zinc/09/26/53/600092653.db2.gz MNNDRWFMMWGUIO-CABCVRRESA-N -1 1 380.441 1.724 20 0 GDADMM CCC[C@](C)(NCC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1)C(=O)[O-] ZINC000736959545 600151486 /nfs/dbraw/zinc/15/14/86/600151486.db2.gz GEKCCYNUNHLDDQ-FQEVSTJZSA-N -1 1 393.459 1.910 20 0 GDADMM CCC[C@](C)(NCC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1)C(=O)[O-] ZINC000736959154 600152499 /nfs/dbraw/zinc/15/24/99/600152499.db2.gz DHECDJQENKTZQH-QAPCUYQASA-N -1 1 388.530 1.568 20 0 GDADMM CCC[C@](C)(NCC(=O)N1CCC(NC(=O)c2ccccc2C)CC1)C(=O)[O-] ZINC000736959519 600154997 /nfs/dbraw/zinc/15/49/97/600154997.db2.gz FWVZBZSADOCAPM-NRFANRHFSA-N -1 1 389.496 1.949 20 0 GDADMM CN(CCCN1C(=O)CS/C1=C\C(=O)[O-])[C@H]1CCN(c2ccccc2)C1=O ZINC000737438245 600157712 /nfs/dbraw/zinc/15/77/12/600157712.db2.gz HOEUFZKPEDLYOH-ZKMNFCBKSA-N -1 1 389.477 1.615 20 0 GDADMM CC(C)[C@H](CNC(=O)NCc1cccc(OCC(=O)[O-])c1)N1CCN(C)CC1 ZINC000736353114 600184853 /nfs/dbraw/zinc/18/48/53/600184853.db2.gz MUFWNVSQPUAOQF-SFHVURJKSA-N -1 1 392.500 1.221 20 0 GDADMM CC(C)[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(C(F)(F)F)cc1 ZINC000824192200 607428181 /nfs/dbraw/zinc/42/81/81/607428181.db2.gz IDJDALRRVSNQTI-ZDUSSCGKSA-N -1 1 394.361 1.991 20 0 GDADMM O=C([O-])[C@@H]1C[C@@H](O)CN1CC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000739295911 600230677 /nfs/dbraw/zinc/23/06/77/600230677.db2.gz VBQIZTOGYDTAMN-XOKHGSTOSA-N -1 1 395.887 1.113 20 0 GDADMM C[C@H]1CN(CCCNC(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C[C@H](C)O1 ZINC000736812729 600300952 /nfs/dbraw/zinc/30/09/52/600300952.db2.gz WLVNFWIPDVOMOY-RYUDHWBXSA-N -1 1 381.404 1.078 20 0 GDADMM O=C([O-])c1cc(NC(=O)C(=O)N2CCC(CN3CCOCC3)CC2)ccc1F ZINC000739471476 600309269 /nfs/dbraw/zinc/30/92/69/600309269.db2.gz LJEFMPZRMFMKSI-UHFFFAOYSA-N -1 1 393.415 1.033 20 0 GDADMM COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000737587755 600332144 /nfs/dbraw/zinc/33/21/44/600332144.db2.gz TYQMSOYNXRULJD-DLBZAZTESA-N -1 1 386.448 1.300 20 0 GDADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000736649200 600366322 /nfs/dbraw/zinc/36/63/22/600366322.db2.gz DXHZXAMXSQKXRM-FZMZJTMJSA-N -1 1 378.388 1.896 20 0 GDADMM COc1cc(C(=O)[O-])ccc1OC[C@@H](O)CN1CCC[C@@H](N2CCCC2=O)C1 ZINC000737863242 600376373 /nfs/dbraw/zinc/37/63/73/600376373.db2.gz CAEFQAAJAKNDPH-CVEARBPZSA-N -1 1 392.452 1.220 20 0 GDADMM CN1CCN(c2ncccc2CNC(=O)Nc2ccc(C(=O)[O-])cc2F)CC1 ZINC000737529439 600401184 /nfs/dbraw/zinc/40/11/84/600401184.db2.gz JKINHHSITIEPPL-UHFFFAOYSA-N -1 1 387.415 1.992 20 0 GDADMM 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ZINC000821899473 606155519 /nfs/dbraw/zinc/15/55/19/606155519.db2.gz ZMJPKZFGNFIZIG-LBPRGKRZSA-N -1 1 397.443 1.257 20 0 GDADMM COc1ccccc1N1CC[C@@H](CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC000821899473 606155521 /nfs/dbraw/zinc/15/55/21/606155521.db2.gz ZMJPKZFGNFIZIG-LBPRGKRZSA-N -1 1 397.443 1.257 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H](c2ccccc2)C2CCOCC2)n1 ZINC000822609114 606155567 /nfs/dbraw/zinc/15/55/67/606155567.db2.gz KAZBLTUASISYIJ-OAHLLOKOSA-N -1 1 382.428 1.890 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H](c2ccccc2)C2CCOCC2)n1 ZINC000822609114 606155569 /nfs/dbraw/zinc/15/55/69/606155569.db2.gz KAZBLTUASISYIJ-OAHLLOKOSA-N -1 1 382.428 1.890 20 0 GDADMM CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC000821065667 606161057 /nfs/dbraw/zinc/16/10/57/606161057.db2.gz LKQCKERTYLTTCJ-VXGBXAGGSA-N -1 1 389.464 1.149 20 0 GDADMM CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC000821065667 606161059 /nfs/dbraw/zinc/16/10/59/606161059.db2.gz LKQCKERTYLTTCJ-VXGBXAGGSA-N -1 1 389.464 1.149 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccccc2OCC(F)(F)F)n1 ZINC000822619837 606167758 /nfs/dbraw/zinc/16/77/58/606167758.db2.gz HTMFACPOXVVZRY-UHFFFAOYSA-N -1 1 396.333 1.863 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccccc2OCC(F)(F)F)n1 ZINC000822619837 606167759 /nfs/dbraw/zinc/16/77/59/606167759.db2.gz HTMFACPOXVVZRY-UHFFFAOYSA-N -1 1 396.333 1.863 20 0 GDADMM Cc1nn(-c2ccccc2)c(Cn2ccnc2S(C)(=O)=O)c1-c1nn[n-]n1 ZINC000822486797 606172307 /nfs/dbraw/zinc/17/23/07/606172307.db2.gz SKUUKKMNQQNZPT-UHFFFAOYSA-N -1 1 384.425 1.009 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000822004271 606192888 /nfs/dbraw/zinc/19/28/88/606192888.db2.gz DTYPRASANPCKFD-MAUKXSAKSA-N -1 1 394.435 1.291 20 0 GDADMM O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822987563 606194635 /nfs/dbraw/zinc/19/46/35/606194635.db2.gz ZNVBZLVDPIFTDX-UHFFFAOYSA-N -1 1 393.363 1.017 20 0 GDADMM CC(=O)N(CCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])Cc1ccccc1 ZINC000819789506 606195381 /nfs/dbraw/zinc/19/53/81/606195381.db2.gz RBUVSKDWZIVAKI-UHFFFAOYSA-N -1 1 380.408 1.950 20 0 GDADMM CCc1ccc(C(C)(C)CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1 ZINC000821477074 606200382 /nfs/dbraw/zinc/20/03/82/606200382.db2.gz XKHUBPSRRNWMPS-UHFFFAOYSA-N -1 1 383.456 1.216 20 0 GDADMM Cc1nn(C)c2nc(C)c(CC(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])c(C)c12 ZINC000822457987 606293183 /nfs/dbraw/zinc/29/31/83/606293183.db2.gz BKGYMGWDDMMGSY-UHFFFAOYSA-N -1 1 392.423 1.960 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])C1CCN(C(=O)c2ccoc2)CC1 ZINC000823294916 606294784 /nfs/dbraw/zinc/29/47/84/606294784.db2.gz XLUNZKPSJKTBAA-UHFFFAOYSA-N -1 1 382.380 1.656 20 0 GDADMM C[C@H]1CN(c2ccc(C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])cn2)C[C@H](C)O1 ZINC000820767117 606296415 /nfs/dbraw/zinc/29/64/15/606296415.db2.gz GJJOENGTARZVRC-RYUDHWBXSA-N -1 1 395.423 1.833 20 0 GDADMM O=C(CCc1nc2ccccc2oc1=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822987150 606296514 /nfs/dbraw/zinc/29/65/14/606296514.db2.gz RDCWOJYLKFOLQP-UHFFFAOYSA-N -1 1 378.348 1.645 20 0 GDADMM CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821596697 606299150 /nfs/dbraw/zinc/29/91/50/606299150.db2.gz RRMKPWLFAJNPAU-HNNXBMFYSA-N -1 1 399.480 1.469 20 0 GDADMM CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821596697 606299151 /nfs/dbraw/zinc/29/91/51/606299151.db2.gz RRMKPWLFAJNPAU-HNNXBMFYSA-N -1 1 399.480 1.469 20 0 GDADMM Cc1ccc([C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)nc2)N2CCOCC2)s1 ZINC000822230621 606299156 /nfs/dbraw/zinc/29/91/56/606299156.db2.gz LPWNWCPOSIJGKB-OAHLLOKOSA-N -1 1 399.480 1.435 20 0 GDADMM Cc1ccc([C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)nc2)N2CCOCC2)s1 ZINC000822230621 606299157 /nfs/dbraw/zinc/29/91/57/606299157.db2.gz LPWNWCPOSIJGKB-OAHLLOKOSA-N -1 1 399.480 1.435 20 0 GDADMM CCN(CC)C(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(-c2nn[n-]n2)s1 ZINC000821170853 606394944 /nfs/dbraw/zinc/39/49/44/606394944.db2.gz XKBLLCTXVBHEBC-LBPRGKRZSA-N -1 1 377.499 1.589 20 0 GDADMM NS(=O)(=O)c1ccc(F)c(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000822895208 606467956 /nfs/dbraw/zinc/46/79/56/606467956.db2.gz NXKBCHBOVFMCDZ-UHFFFAOYSA-N -1 1 383.796 1.314 20 0 GDADMM NS(=O)(=O)c1ccc(F)c(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000822895208 606467957 /nfs/dbraw/zinc/46/79/57/606467957.db2.gz NXKBCHBOVFMCDZ-UHFFFAOYSA-N -1 1 383.796 1.314 20 0 GDADMM C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000820770195 606472997 /nfs/dbraw/zinc/47/29/97/606472997.db2.gz ZKPLKJSIYNMJSV-RNFRBKRXSA-N -1 1 377.883 1.059 20 0 GDADMM C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000820770195 606472999 /nfs/dbraw/zinc/47/29/99/606472999.db2.gz ZKPLKJSIYNMJSV-RNFRBKRXSA-N -1 1 377.883 1.059 20 0 GDADMM Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1S(=O)(=O)N(C)C ZINC000822254401 606489359 /nfs/dbraw/zinc/48/93/59/606489359.db2.gz ITQAAGIDTVHQSH-UHFFFAOYSA-N -1 1 392.466 1.739 20 0 GDADMM Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1S(=O)(=O)N(C)C ZINC000822254401 606489361 /nfs/dbraw/zinc/48/93/61/606489361.db2.gz ITQAAGIDTVHQSH-UHFFFAOYSA-N -1 1 392.466 1.739 20 0 GDADMM CCNC(=O)COc1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821286344 606515078 /nfs/dbraw/zinc/51/50/78/606515078.db2.gz QDBKKQXMZCNQBW-UHFFFAOYSA-N -1 1 386.437 1.373 20 0 GDADMM CCNC(=O)COc1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821286344 606515081 /nfs/dbraw/zinc/51/50/81/606515081.db2.gz QDBKKQXMZCNQBW-UHFFFAOYSA-N -1 1 386.437 1.373 20 0 GDADMM O=C(COc1ccc(F)cc1Br)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000823041280 606532969 /nfs/dbraw/zinc/53/29/69/606532969.db2.gz WWLGFECGYQMHRP-UHFFFAOYSA-N -1 1 382.153 1.509 20 0 GDADMM O=C(COc1ccc(F)cc1Br)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000823041280 606532970 /nfs/dbraw/zinc/53/29/70/606532970.db2.gz WWLGFECGYQMHRP-UHFFFAOYSA-N -1 1 382.153 1.509 20 0 GDADMM CC[C@@H]1CN(CCn2cccn2)CCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820994625 606567940 /nfs/dbraw/zinc/56/79/40/606567940.db2.gz JGNYWSCFXGEPAV-CYBMUJFWSA-N -1 1 386.485 1.361 20 0 GDADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1noc(Cc2ccccc2)n1 ZINC000820379571 606577133 /nfs/dbraw/zinc/57/71/33/606577133.db2.gz DIQKSCCJSHUALJ-JTQLQIEISA-N -1 1 394.399 1.457 20 0 GDADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1noc(Cc2ccccc2)n1 ZINC000820379571 606577135 /nfs/dbraw/zinc/57/71/35/606577135.db2.gz DIQKSCCJSHUALJ-JTQLQIEISA-N -1 1 394.399 1.457 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CC[C@@H](OCCCc3ccccc3)C2)n1 ZINC000822609570 606579827 /nfs/dbraw/zinc/57/98/27/606579827.db2.gz QIVPNVLOTNVOGQ-OAHLLOKOSA-N -1 1 396.455 1.856 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CC[C@@H](OCCCc3ccccc3)C2)n1 ZINC000822609570 606579828 /nfs/dbraw/zinc/57/98/28/606579828.db2.gz QIVPNVLOTNVOGQ-OAHLLOKOSA-N -1 1 396.455 1.856 20 0 GDADMM CC(C)S(=O)(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)[C@@H](C)C1 ZINC000820766227 606584323 /nfs/dbraw/zinc/58/43/23/606584323.db2.gz ARDPVDLOCNLMHI-WDEREUQCSA-N -1 1 398.514 1.107 20 0 GDADMM CC(C)S(=O)(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)[C@@H](C)C1 ZINC000820766227 606584324 /nfs/dbraw/zinc/58/43/24/606584324.db2.gz ARDPVDLOCNLMHI-WDEREUQCSA-N -1 1 398.514 1.107 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCC1(C)CCOCC1 ZINC000822459529 606605656 /nfs/dbraw/zinc/60/56/56/606605656.db2.gz QZYCSMGMFRARJM-UHFFFAOYSA-N -1 1 398.471 1.392 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCC1(C)CCOCC1 ZINC000822459529 606605658 /nfs/dbraw/zinc/60/56/58/606605658.db2.gz QZYCSMGMFRARJM-UHFFFAOYSA-N -1 1 398.471 1.392 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000823482927 606623940 /nfs/dbraw/zinc/62/39/40/606623940.db2.gz CGZRSJFSEKJJDZ-WDEREUQCSA-N -1 1 391.478 1.954 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000823482927 606623942 /nfs/dbraw/zinc/62/39/42/606623942.db2.gz CGZRSJFSEKJJDZ-WDEREUQCSA-N -1 1 391.478 1.954 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)cc1-c1nn[n-]n1 ZINC000821969649 606642989 /nfs/dbraw/zinc/64/29/89/606642989.db2.gz CMCZDQAHYRPPMC-GFCCVEGCSA-N -1 1 386.441 1.780 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cc(Cl)ccc1-n1cnnn1 ZINC000823436439 606651406 /nfs/dbraw/zinc/65/14/06/606651406.db2.gz VMCICUBDHYWFBA-UHFFFAOYSA-N -1 1 383.759 1.248 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cc(Cl)ccc1-n1cnnn1 ZINC000823436439 606651407 /nfs/dbraw/zinc/65/14/07/606651407.db2.gz VMCICUBDHYWFBA-UHFFFAOYSA-N -1 1 383.759 1.248 20 0 GDADMM O=C(COC(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)[N-]C(=O)c1ccccc1 ZINC000823022643 606757318 /nfs/dbraw/zinc/75/73/18/606757318.db2.gz KSMBRNIQTXOHAB-UHFFFAOYSA-N -1 1 387.302 1.258 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=S)NC(C1CC1)C1CC1 ZINC000820788573 606764870 /nfs/dbraw/zinc/76/48/70/606764870.db2.gz JTQCALIYOKNLNT-LLVKDONJSA-N -1 1 399.528 1.230 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=S)NC(C1CC1)C1CC1 ZINC000820788573 606764871 /nfs/dbraw/zinc/76/48/71/606764871.db2.gz JTQCALIYOKNLNT-LLVKDONJSA-N -1 1 399.528 1.230 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)Nc1ccccc1F ZINC000820788536 606767644 /nfs/dbraw/zinc/76/76/44/606767644.db2.gz JIZVOJXDLSQNOF-NSHDSACASA-N -1 1 383.391 1.538 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)Nc1ccccc1F ZINC000820788536 606767645 /nfs/dbraw/zinc/76/76/45/606767645.db2.gz JIZVOJXDLSQNOF-NSHDSACASA-N -1 1 383.391 1.538 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)cc1-c1nn[n-]n1 ZINC000821976804 606768771 /nfs/dbraw/zinc/76/87/71/606768771.db2.gz DGGWDGXJIYAVRM-XXILOJSOSA-N -1 1 376.442 1.377 20 0 GDADMM Cc1oc(NC(=O)[C@H](C)N2CCO[C@H]([C@@H]3CCCO3)C2)c(-c2nn[n-]n2)c1C ZINC000822542221 606771237 /nfs/dbraw/zinc/77/12/37/606771237.db2.gz VTRNSMHSPUAJJE-UBHSHLNASA-N -1 1 390.444 1.283 20 0 GDADMM CCOc1ccc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)nc1 ZINC000821421936 606781140 /nfs/dbraw/zinc/78/11/40/606781140.db2.gz IOCFYGXYQSTCFO-ZDUSSCGKSA-N -1 1 381.444 1.161 20 0 GDADMM CCOc1ccc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)nc1 ZINC000821421936 606781141 /nfs/dbraw/zinc/78/11/41/606781141.db2.gz IOCFYGXYQSTCFO-ZDUSSCGKSA-N -1 1 381.444 1.161 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCc1ccsc1 ZINC000820789099 606786716 /nfs/dbraw/zinc/78/67/16/606786716.db2.gz VNLBPFQZHYFLPA-GFCCVEGCSA-N -1 1 399.484 1.181 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCc1ccsc1 ZINC000820789099 606786717 /nfs/dbraw/zinc/78/67/17/606786717.db2.gz VNLBPFQZHYFLPA-GFCCVEGCSA-N -1 1 399.484 1.181 20 0 GDADMM Cc1cccc(CNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1 ZINC000822303755 606788124 /nfs/dbraw/zinc/78/81/24/606788124.db2.gz IERUUPYNYCSEIG-CQSZACIVSA-N -1 1 393.455 1.385 20 0 GDADMM Cc1cccc(CNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1 ZINC000822303755 606788126 /nfs/dbraw/zinc/78/81/26/606788126.db2.gz IERUUPYNYCSEIG-CQSZACIVSA-N -1 1 393.455 1.385 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1nc2ccccc2s1 ZINC000820803765 606806814 /nfs/dbraw/zinc/80/68/14/606806814.db2.gz GZBYRAOAMGNHLZ-LLVKDONJSA-N -1 1 379.453 1.982 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1nc2ccccc2s1 ZINC000820803765 606806816 /nfs/dbraw/zinc/80/68/16/606806816.db2.gz GZBYRAOAMGNHLZ-LLVKDONJSA-N -1 1 379.453 1.982 20 0 GDADMM COc1ccc(C[C@@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)s2)cc1O ZINC000821789862 606817003 /nfs/dbraw/zinc/81/70/03/606817003.db2.gz BAGMMWVDEFMKGP-LLVKDONJSA-N -1 1 389.437 1.223 20 0 GDADMM COc1ccc(C[C@@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)s2)cc1O ZINC000821789862 606817004 /nfs/dbraw/zinc/81/70/04/606817004.db2.gz BAGMMWVDEFMKGP-LLVKDONJSA-N -1 1 389.437 1.223 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CSc1ccccc1 ZINC000820774325 606818352 /nfs/dbraw/zinc/81/83/52/606818352.db2.gz AOIAUWDDJCLTDJ-CYBMUJFWSA-N -1 1 396.480 1.486 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CSc1ccccc1 ZINC000820774325 606818354 /nfs/dbraw/zinc/81/83/54/606818354.db2.gz AOIAUWDDJCLTDJ-CYBMUJFWSA-N -1 1 396.480 1.486 20 0 GDADMM CCn1c(C)cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1C ZINC000821564014 606820590 /nfs/dbraw/zinc/82/05/90/606820590.db2.gz PQJQRGVGLGKTHB-ZDUSSCGKSA-N -1 1 395.471 1.446 20 0 GDADMM CCn1c(C)cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1C ZINC000821564014 606820591 /nfs/dbraw/zinc/82/05/91/606820591.db2.gz PQJQRGVGLGKTHB-ZDUSSCGKSA-N -1 1 395.471 1.446 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC000820788590 606821900 /nfs/dbraw/zinc/82/19/00/606821900.db2.gz KBRISABJLXFAML-NSHDSACASA-N -1 1 396.459 1.028 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC000820788590 606821901 /nfs/dbraw/zinc/82/19/01/606821901.db2.gz KBRISABJLXFAML-NSHDSACASA-N -1 1 396.459 1.028 20 0 GDADMM CCc1ccc(CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cc1 ZINC000821481003 606822490 /nfs/dbraw/zinc/82/24/90/606822490.db2.gz HFVGPNAJBPPXON-CQSZACIVSA-N -1 1 392.467 1.499 20 0 GDADMM CCc1ccc(CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cc1 ZINC000821481003 606822491 /nfs/dbraw/zinc/82/24/91/606822491.db2.gz HFVGPNAJBPPXON-CQSZACIVSA-N -1 1 392.467 1.499 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@H]1Cc2ccccc21 ZINC000820777506 606823048 /nfs/dbraw/zinc/82/30/48/606823048.db2.gz RVNGGOJMQDHFBY-DOMZBBRYSA-N -1 1 376.424 1.034 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@H]1Cc2ccccc21 ZINC000820777506 606823050 /nfs/dbraw/zinc/82/30/50/606823050.db2.gz RVNGGOJMQDHFBY-DOMZBBRYSA-N -1 1 376.424 1.034 20 0 GDADMM CC(C)CCO[C@H](C)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820076609 606823438 /nfs/dbraw/zinc/82/34/38/606823438.db2.gz OXOOZMQBXHTLKI-UONOGXRCSA-N -1 1 388.476 1.145 20 0 GDADMM CC(C)CCO[C@H](C)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820076609 606823440 /nfs/dbraw/zinc/82/34/40/606823440.db2.gz OXOOZMQBXHTLKI-UONOGXRCSA-N -1 1 388.476 1.145 20 0 GDADMM CSc1cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)ccn1 ZINC000821978864 606824491 /nfs/dbraw/zinc/82/44/91/606824491.db2.gz NJXWSCXGXLQHPQ-LLVKDONJSA-N -1 1 397.468 1.125 20 0 GDADMM CSc1cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)ccn1 ZINC000821978864 606824493 /nfs/dbraw/zinc/82/44/93/606824493.db2.gz NJXWSCXGXLQHPQ-LLVKDONJSA-N -1 1 397.468 1.125 20 0 GDADMM CC(C)OCc1ccc(CNC(=O)Cn2cccc(-c3nn[n-]n3)c2=O)cc1 ZINC000820147067 606824579 /nfs/dbraw/zinc/82/45/79/606824579.db2.gz ZAIXRHNFZNAVTF-UHFFFAOYSA-N -1 1 382.424 1.270 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1cccs1 ZINC000820774514 606824976 /nfs/dbraw/zinc/82/49/76/606824976.db2.gz DYQBIXSNHXMIFV-LBPRGKRZSA-N -1 1 384.469 1.388 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1cccs1 ZINC000820774514 606824978 /nfs/dbraw/zinc/82/49/78/606824978.db2.gz DYQBIXSNHXMIFV-LBPRGKRZSA-N -1 1 384.469 1.388 20 0 GDADMM CCCCSCCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821077966 606825509 /nfs/dbraw/zinc/82/55/09/606825509.db2.gz YWUHZLQXVXVLEB-CYBMUJFWSA-N -1 1 390.517 1.617 20 0 GDADMM CCCCSCCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821077966 606825511 /nfs/dbraw/zinc/82/55/11/606825511.db2.gz YWUHZLQXVXVLEB-CYBMUJFWSA-N -1 1 390.517 1.617 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)Nc1nnc(-c2ccco2)o1 ZINC000823027144 606830282 /nfs/dbraw/zinc/83/02/82/606830282.db2.gz NWHDQYCMYSCRJJ-UHFFFAOYSA-N -1 1 387.337 1.367 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)Nc1nnc(-c2ccco2)o1 ZINC000823027144 606830284 /nfs/dbraw/zinc/83/02/84/606830284.db2.gz NWHDQYCMYSCRJJ-UHFFFAOYSA-N -1 1 387.337 1.367 20 0 GDADMM CN(Cc1nccn1C(F)F)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821618222 606840972 /nfs/dbraw/zinc/84/09/72/606840972.db2.gz WERUCKLXLFRABJ-UHFFFAOYSA-N -1 1 387.347 1.418 20 0 GDADMM Cc1noc([C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3-c3nn[n-]n3)C2)n1 ZINC000822527738 606842824 /nfs/dbraw/zinc/84/28/24/606842824.db2.gz BRAGXXZVHJGKBI-SNVBAGLBSA-N -1 1 393.404 1.266 20 0 GDADMM C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C[C@@H](C(F)(F)F)O1 ZINC000820769852 606845185 /nfs/dbraw/zinc/84/51/85/606845185.db2.gz XJOPFCNEJVXNKA-CPCISQLKSA-N -1 1 395.338 1.346 20 0 GDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cc(F)ccc1I ZINC000822904034 606858743 /nfs/dbraw/zinc/85/87/43/606858743.db2.gz RWWBPJGRZFBXOM-UHFFFAOYSA-N -1 1 399.127 1.078 20 0 GDADMM COC(=O)[C@@H]1CCCCCC[C@H]1NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821655406 606908037 /nfs/dbraw/zinc/90/80/37/606908037.db2.gz KJOMNCLKPYRQPS-ZYHUDNBSSA-N -1 1 376.421 1.234 20 0 GDADMM COC(=O)[C@@H]1CCCCCC[C@H]1NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821655406 606908039 /nfs/dbraw/zinc/90/80/39/606908039.db2.gz KJOMNCLKPYRQPS-ZYHUDNBSSA-N -1 1 376.421 1.234 20 0 GDADMM CN(CCC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821599183 606943537 /nfs/dbraw/zinc/94/35/37/606943537.db2.gz IULUGOUYCNMYAU-UHFFFAOYSA-N -1 1 385.421 1.358 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCC[C@@H](C)[S@](C)=O ZINC000822541771 607099138 /nfs/dbraw/zinc/09/91/38/607099138.db2.gz QHTYDKBUTBZDHM-SKVICXGVSA-N -1 1 376.442 1.446 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCC[C@@H](C)[S@](C)=O ZINC000822541771 607099139 /nfs/dbraw/zinc/09/91/39/607099139.db2.gz QHTYDKBUTBZDHM-SKVICXGVSA-N -1 1 376.442 1.446 20 0 GDADMM Cc1cccc(N2C[C@H](C(=O)Nc3ncc(-c4nnn[n-]4)s3)CC2=O)c1C ZINC000822309262 607106999 /nfs/dbraw/zinc/10/69/99/607106999.db2.gz RYFBUAPQHLCRFC-LLVKDONJSA-N -1 1 383.437 1.932 20 0 GDADMM Cc1cccc(N2C[C@H](C(=O)Nc3ncc(-c4nn[n-]n4)s3)CC2=O)c1C ZINC000822309262 607107001 /nfs/dbraw/zinc/10/70/01/607107001.db2.gz RYFBUAPQHLCRFC-LLVKDONJSA-N -1 1 383.437 1.932 20 0 GDADMM CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000821000238 607107970 /nfs/dbraw/zinc/10/79/70/607107970.db2.gz BHLJWWYCYKNJIN-SGDMMICCSA-N -1 1 379.471 1.520 20 0 GDADMM CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000821000238 607107971 /nfs/dbraw/zinc/10/79/71/607107971.db2.gz BHLJWWYCYKNJIN-SGDMMICCSA-N -1 1 379.471 1.520 20 0 GDADMM Nc1n[nH]c(CCCNC(=O)Nc2cccc(OCCF)c2)c1-c1nnn[n-]1 ZINC000822907655 607139402 /nfs/dbraw/zinc/13/94/02/607139402.db2.gz XNXNFZSVJQTUQE-UHFFFAOYSA-N -1 1 389.395 1.275 20 0 GDADMM Nc1n[nH]c(CCCNC(=O)Nc2cccc(OCCF)c2)c1-c1nn[n-]n1 ZINC000822907655 607139404 /nfs/dbraw/zinc/13/94/04/607139404.db2.gz XNXNFZSVJQTUQE-UHFFFAOYSA-N -1 1 389.395 1.275 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)Nc1cc(C)c(=O)n(C)c1 ZINC000822540761 607168927 /nfs/dbraw/zinc/16/89/27/607168927.db2.gz GCDRMWSLTZJIQO-UHFFFAOYSA-N -1 1 379.380 1.818 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Nc1cc(C)c(=O)n(C)c1 ZINC000822540761 607168928 /nfs/dbraw/zinc/16/89/28/607168928.db2.gz GCDRMWSLTZJIQO-UHFFFAOYSA-N -1 1 379.380 1.818 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCOC2(CCOCC2)C1 ZINC000822535619 607169052 /nfs/dbraw/zinc/16/90/52/607169052.db2.gz YLWDGXVHZFMJMP-UHFFFAOYSA-N -1 1 398.423 1.580 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCOC2(CCOCC2)C1 ZINC000822535619 607169053 /nfs/dbraw/zinc/16/90/53/607169053.db2.gz YLWDGXVHZFMJMP-UHFFFAOYSA-N -1 1 398.423 1.580 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccnc1OCc1ccccc1 ZINC000823136357 607209114 /nfs/dbraw/zinc/20/91/14/607209114.db2.gz XMISKYZUKJIQSC-UHFFFAOYSA-N -1 1 377.368 1.071 20 0 GDADMM Cc1ccc(CN(Cc2ccco2)C(=O)Cn2cnc(-c3nn[n-]n3)n2)s1 ZINC000822237050 607211381 /nfs/dbraw/zinc/21/13/81/607211381.db2.gz BUWNCRCIOZWRRX-UHFFFAOYSA-N -1 1 384.425 1.650 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccnc(Sc2ccccn2)c1 ZINC000823136253 607213053 /nfs/dbraw/zinc/21/30/53/607213053.db2.gz QSGXNUABARPRLM-UHFFFAOYSA-N -1 1 380.397 1.038 20 0 GDADMM Cc1ccnc(Oc2cc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)ccc2C)c1 ZINC000822378624 607219752 /nfs/dbraw/zinc/21/97/52/607219752.db2.gz CAZDXTXSGAODDU-UHFFFAOYSA-N -1 1 391.395 1.901 20 0 GDADMM Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000822236447 607220301 /nfs/dbraw/zinc/22/03/01/607220301.db2.gz ZTJQSBOJNBEUTD-MRXNPFEDSA-N -1 1 396.455 1.017 20 0 GDADMM Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000822233588 607220304 /nfs/dbraw/zinc/22/03/04/607220304.db2.gz RNUYUDFGNFAKDM-ZBFHGGJFSA-N -1 1 382.428 1.051 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000823123248 607235082 /nfs/dbraw/zinc/23/50/82/607235082.db2.gz UMBDQGVVUSYVFN-NSHDSACASA-N -1 1 399.484 1.200 20 0 GDADMM CC(=O)N1CC[C@H](CN(C)S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000823972540 607852806 /nfs/dbraw/zinc/85/28/06/607852806.db2.gz CCJWNLBTQBQJRQ-LLVKDONJSA-N -1 1 398.876 1.009 20 0 GDADMM CC(=O)N1CC[C@H](CN(C)S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000823972540 607852807 /nfs/dbraw/zinc/85/28/07/607852807.db2.gz CCJWNLBTQBQJRQ-LLVKDONJSA-N -1 1 398.876 1.009 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)c1ccc2c(c1)CC(=O)N2C ZINC000824724209 607856375 /nfs/dbraw/zinc/85/63/75/607856375.db2.gz ZPIVZXFBJOBDRN-SECBINFHSA-N -1 1 397.416 1.875 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)c1ccc2c(c1)CC(=O)N2C ZINC000824724209 607856376 /nfs/dbraw/zinc/85/63/76/607856376.db2.gz ZPIVZXFBJOBDRN-SECBINFHSA-N -1 1 397.416 1.875 20 0 GDADMM CS(=O)(=O)c1ccc([C@H](O)COc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826224280 607874780 /nfs/dbraw/zinc/87/47/80/607874780.db2.gz XUJFTPDJCUINSC-CYBMUJFWSA-N -1 1 378.385 1.522 20 0 GDADMM CS(=O)(=O)c1ccc([C@H](O)COc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826224280 607874781 /nfs/dbraw/zinc/87/47/81/607874781.db2.gz XUJFTPDJCUINSC-CYBMUJFWSA-N -1 1 378.385 1.522 20 0 GDADMM CS(=O)(=O)c1ccccc1-n1cc(Nc2cccc(-c3nnn[n-]3)n2)cn1 ZINC000826223819 607899006 /nfs/dbraw/zinc/89/90/06/607899006.db2.gz BKPSXFIEDRRNSX-UHFFFAOYSA-N -1 1 382.409 1.595 20 0 GDADMM CS(=O)(=O)c1ccccc1-n1cc(Nc2cccc(-c3nn[n-]n3)n2)cn1 ZINC000826223819 607899007 /nfs/dbraw/zinc/89/90/07/607899007.db2.gz BKPSXFIEDRRNSX-UHFFFAOYSA-N -1 1 382.409 1.595 20 0 GDADMM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc([S@@](C)=O)cc1 ZINC000824640413 607905831 /nfs/dbraw/zinc/90/58/31/607905831.db2.gz HWURKJWSGYXFTI-UXMMLNGASA-N -1 1 392.466 1.039 20 0 GDADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc([S@@](C)=O)cc1 ZINC000824640413 607905832 /nfs/dbraw/zinc/90/58/32/607905832.db2.gz HWURKJWSGYXFTI-UXMMLNGASA-N -1 1 392.466 1.039 20 0 GDADMM O=S(=O)(NC[C@H]1CCC[C@H]1O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826489890 607937531 /nfs/dbraw/zinc/93/75/31/607937531.db2.gz COHIALZNTOKQFH-LDYMZIIASA-N -1 1 391.375 1.325 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@H](C)c1cn[nH]c1 ZINC000826328505 607955779 /nfs/dbraw/zinc/95/57/79/607955779.db2.gz SUJVFACQFXSZEY-SECBINFHSA-N -1 1 380.416 1.059 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@H](C)c1cn[nH]c1 ZINC000826328505 607955780 /nfs/dbraw/zinc/95/57/80/607955780.db2.gz SUJVFACQFXSZEY-SECBINFHSA-N -1 1 380.416 1.059 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(C(=O)NC3CC3)cc2)n1 ZINC000824147475 607962960 /nfs/dbraw/zinc/96/29/60/607962960.db2.gz DJRJVNFBZISZSD-UHFFFAOYSA-N -1 1 394.439 1.963 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(C(=O)NC3CC3)cc2)n1 ZINC000824147475 607962961 /nfs/dbraw/zinc/96/29/61/607962961.db2.gz DJRJVNFBZISZSD-UHFFFAOYSA-N -1 1 394.439 1.963 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)Nc1ccc(C(N)=O)nc1 ZINC000826341047 607963559 /nfs/dbraw/zinc/96/35/59/607963559.db2.gz USHJMMMOHGSNLH-UHFFFAOYSA-N -1 1 378.352 1.305 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Nc1ccc(C(N)=O)nc1 ZINC000826341047 607963560 /nfs/dbraw/zinc/96/35/60/607963560.db2.gz USHJMMMOHGSNLH-UHFFFAOYSA-N -1 1 378.352 1.305 20 0 GDADMM COc1cc([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)nc2)ccc1OCCO ZINC000826177768 607994393 /nfs/dbraw/zinc/99/43/93/607994393.db2.gz URPOSKCQVJNWED-LLVKDONJSA-N -1 1 384.396 1.132 20 0 GDADMM COc1cc([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)nc2)ccc1OCCO ZINC000826177768 607994394 /nfs/dbraw/zinc/99/43/94/607994394.db2.gz URPOSKCQVJNWED-LLVKDONJSA-N -1 1 384.396 1.132 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000826450760 607997517 /nfs/dbraw/zinc/99/75/17/607997517.db2.gz CLNVQLHUHFSXRU-QGZVFWFLSA-N -1 1 398.398 1.723 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000826451055 607997534 /nfs/dbraw/zinc/99/75/34/607997534.db2.gz NUBPGCOZMACGAE-OAHLLOKOSA-N -1 1 386.318 1.982 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCSC[C@H]1CCO ZINC000826495454 608001139 /nfs/dbraw/zinc/00/11/39/608001139.db2.gz PMRVRRDPQRJCQD-SECBINFHSA-N -1 1 389.890 1.009 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCSC[C@H]1CCO ZINC000826495454 608001140 /nfs/dbraw/zinc/00/11/40/608001140.db2.gz PMRVRRDPQRJCQD-SECBINFHSA-N -1 1 389.890 1.009 20 0 GDADMM FC(F)(F)c1cc(Cl)ccc1-n1nnnc1Cn1ccnc1-c1nnn[n-]1 ZINC000826368733 608012949 /nfs/dbraw/zinc/01/29/49/608012949.db2.gz ZQSIDCNLKRWNOQ-UHFFFAOYSA-N -1 1 396.724 1.759 20 0 GDADMM FC(F)(F)c1cc(Cl)ccc1-n1nnnc1Cn1ccnc1-c1nn[n-]n1 ZINC000826368733 608012950 /nfs/dbraw/zinc/01/29/50/608012950.db2.gz ZQSIDCNLKRWNOQ-UHFFFAOYSA-N -1 1 396.724 1.759 20 0 GDADMM Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Cn1ccnc1-c1nnn[n-]1 ZINC000826334737 608014242 /nfs/dbraw/zinc/01/42/42/608014242.db2.gz HTYTWDSGZAQEAG-UHFFFAOYSA-N -1 1 391.439 1.241 20 0 GDADMM Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Cn1ccnc1-c1nn[n-]n1 ZINC000826334737 608014243 /nfs/dbraw/zinc/01/42/43/608014243.db2.gz HTYTWDSGZAQEAG-UHFFFAOYSA-N -1 1 391.439 1.241 20 0 GDADMM CCOC(=O)CC[C@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825506003 608026510 /nfs/dbraw/zinc/02/65/10/608026510.db2.gz BFEIYSAYMUVTGC-VIFPVBQESA-N -1 1 387.849 1.530 20 0 GDADMM CCOC(=O)CC[C@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825506003 608026511 /nfs/dbraw/zinc/02/65/11/608026511.db2.gz BFEIYSAYMUVTGC-VIFPVBQESA-N -1 1 387.849 1.530 20 0 GDADMM Cc1cnc2c(c1)N(S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)CCO2 ZINC000826319220 608055846 /nfs/dbraw/zinc/05/58/46/608055846.db2.gz SZZYRLNMSDIXHJ-UHFFFAOYSA-N -1 1 376.373 1.297 20 0 GDADMM Cc1cc(C)c(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c(C)c1 ZINC000826263042 608071940 /nfs/dbraw/zinc/07/19/40/608071940.db2.gz IXCIKGWRXTYSJV-HNNXBMFYSA-N -1 1 392.467 1.933 20 0 GDADMM Cc1cc(C)c(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c(C)c1 ZINC000826263042 608071941 /nfs/dbraw/zinc/07/19/41/608071941.db2.gz IXCIKGWRXTYSJV-HNNXBMFYSA-N -1 1 392.467 1.933 20 0 GDADMM CSC[C@@H](CCO)NC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000826228595 608074132 /nfs/dbraw/zinc/07/41/32/608074132.db2.gz UITJCGMCUAOKGX-SNVBAGLBSA-N -1 1 394.526 1.705 20 0 GDADMM CC(=O)NC1CCC(N(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000823989480 608126225 /nfs/dbraw/zinc/12/62/25/608126225.db2.gz YZUOAUFFCILTBU-UHFFFAOYSA-N -1 1 396.448 1.074 20 0 GDADMM O=c1[nH]cc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826501626 608159455 /nfs/dbraw/zinc/15/94/55/608159455.db2.gz ZNNMSYDWWMUIKD-UHFFFAOYSA-N -1 1 387.303 1.182 20 0 GDADMM O=c1[nH]cc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826501626 608159456 /nfs/dbraw/zinc/15/94/56/608159456.db2.gz ZNNMSYDWWMUIKD-UHFFFAOYSA-N -1 1 387.303 1.182 20 0 GDADMM O=C(N[C@@H](CO)c1ccc(C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826426462 608168461 /nfs/dbraw/zinc/16/84/61/608168461.db2.gz NKEPRLITTXYPEQ-ZDUSSCGKSA-N -1 1 378.314 1.744 20 0 GDADMM O=C(N[C@@H](CO)c1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826426462 608168463 /nfs/dbraw/zinc/16/84/63/608168463.db2.gz NKEPRLITTXYPEQ-ZDUSSCGKSA-N -1 1 378.314 1.744 20 0 GDADMM O=C(N[C@H]1CC(=O)N(c2c(F)cccc2F)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826428493 608168660 /nfs/dbraw/zinc/16/86/60/608168660.db2.gz CXGMHZNJTDFWQD-JTQLQIEISA-N -1 1 385.334 1.075 20 0 GDADMM O=C(N[C@H]1CC(=O)N(c2c(F)cccc2F)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826428493 608168661 /nfs/dbraw/zinc/16/86/61/608168661.db2.gz CXGMHZNJTDFWQD-JTQLQIEISA-N -1 1 385.334 1.075 20 0 GDADMM Clc1nsc(N2CCO[C@@H](c3noc(C4CC4)n3)C2)c1-c1nnn[n-]1 ZINC000826354156 608181625 /nfs/dbraw/zinc/18/16/25/608181625.db2.gz RFSPEWGPVKDYPA-SSDOTTSWSA-N -1 1 380.821 1.815 20 0 GDADMM Clc1nsc(N2CCO[C@@H](c3noc(C4CC4)n3)C2)c1-c1nn[n-]n1 ZINC000826354156 608181626 /nfs/dbraw/zinc/18/16/26/608181626.db2.gz RFSPEWGPVKDYPA-SSDOTTSWSA-N -1 1 380.821 1.815 20 0 GDADMM CC(C)[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)c1nc(-c2nc[nH]n2)no1 ZINC000824199669 608191838 /nfs/dbraw/zinc/19/18/38/608191838.db2.gz KYKRSNKJFLHKEV-LURJTMIESA-N -1 1 393.824 1.954 20 0 GDADMM CC(C)[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)c1nc(-c2nc[nH]n2)no1 ZINC000824199669 608191840 /nfs/dbraw/zinc/19/18/40/608191840.db2.gz KYKRSNKJFLHKEV-LURJTMIESA-N -1 1 393.824 1.954 20 0 GDADMM CC(=CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000823942507 608212250 /nfs/dbraw/zinc/21/22/50/608212250.db2.gz DRTLNSNRCSOPIB-ZHACJKMWSA-N -1 1 384.419 1.806 20 0 GDADMM CC(=CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000823942507 608212251 /nfs/dbraw/zinc/21/22/51/608212251.db2.gz DRTLNSNRCSOPIB-ZHACJKMWSA-N -1 1 384.419 1.806 20 0 GDADMM CC(C)(C)OC(=O)N[C@H](CC(F)F)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000824109857 608247845 /nfs/dbraw/zinc/24/78/45/608247845.db2.gz XEJUNKAFANCUIR-LLVKDONJSA-N -1 1 398.370 1.853 20 0 GDADMM CC(C)(C)OC(=O)N[C@H](CC(F)F)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000824109857 608247846 /nfs/dbraw/zinc/24/78/46/608247846.db2.gz XEJUNKAFANCUIR-LLVKDONJSA-N -1 1 398.370 1.853 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCC[C@@H]2COCC[C@H]21 ZINC000826495567 608303949 /nfs/dbraw/zinc/30/39/49/608303949.db2.gz UDMDDHDYDGAVTJ-ZYHUDNBSSA-N -1 1 383.861 1.710 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCC[C@@H]2COCC[C@H]21 ZINC000826495567 608303952 /nfs/dbraw/zinc/30/39/52/608303952.db2.gz UDMDDHDYDGAVTJ-ZYHUDNBSSA-N -1 1 383.861 1.710 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000826495283 608306140 /nfs/dbraw/zinc/30/61/40/608306140.db2.gz JONBUAWHFLZSCU-STQMWFEESA-N -1 1 395.460 1.833 20 0 GDADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1sccc1-c1nn[nH]n1 ZINC000826223232 608336002 /nfs/dbraw/zinc/33/60/02/608336002.db2.gz GARIBBZNOIFKAE-UHFFFAOYSA-N -1 1 382.402 1.691 20 0 GDADMM COC[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(F)c(F)c1 ZINC000826150337 608338914 /nfs/dbraw/zinc/33/89/14/608338914.db2.gz BKMUSROATNBPDL-LBPRGKRZSA-N -1 1 378.343 1.388 20 0 GDADMM COC[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(F)c(F)c1 ZINC000826150337 608338915 /nfs/dbraw/zinc/33/89/15/608338915.db2.gz BKMUSROATNBPDL-LBPRGKRZSA-N -1 1 378.343 1.388 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NC[C@@H]2Cc3ccccc32)n1 ZINC000824147917 608346204 /nfs/dbraw/zinc/34/62/04/608346204.db2.gz IQCPQNYSKPOJIH-LBPRGKRZSA-N -1 1 394.439 1.213 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NC[C@@H]2Cc3ccccc32)n1 ZINC000824147917 608346206 /nfs/dbraw/zinc/34/62/06/608346206.db2.gz IQCPQNYSKPOJIH-LBPRGKRZSA-N -1 1 394.439 1.213 20 0 GDADMM Cc1cccc(NC(=O)CN2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)c1C ZINC000826298800 608392091 /nfs/dbraw/zinc/39/20/91/608392091.db2.gz HMJHXGPOVCCNBC-UHFFFAOYSA-N -1 1 393.455 1.034 20 0 GDADMM Cc1cccc(NC(=O)CN2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)c1C ZINC000826298800 608392092 /nfs/dbraw/zinc/39/20/92/608392092.db2.gz HMJHXGPOVCCNBC-UHFFFAOYSA-N -1 1 393.455 1.034 20 0 GDADMM Clc1ccc([C@@H](CNc2ccc(-c3nnn[n-]3)nn2)N2CCOCC2)cc1 ZINC000826351478 608407320 /nfs/dbraw/zinc/40/73/20/608407320.db2.gz NXOSCORELBOPSO-OAHLLOKOSA-N -1 1 386.847 1.796 20 0 GDADMM Clc1ccc([C@@H](CNc2ccc(-c3nn[n-]n3)nn2)N2CCOCC2)cc1 ZINC000826351478 608407322 /nfs/dbraw/zinc/40/73/22/608407322.db2.gz NXOSCORELBOPSO-OAHLLOKOSA-N -1 1 386.847 1.796 20 0 GDADMM CCOc1ncccc1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825659648 608407622 /nfs/dbraw/zinc/40/76/22/608407622.db2.gz XXYGTJKODULMSG-UHFFFAOYSA-N -1 1 386.420 1.062 20 0 GDADMM CCOc1ncccc1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825659648 608407623 /nfs/dbraw/zinc/40/76/23/608407623.db2.gz XXYGTJKODULMSG-UHFFFAOYSA-N -1 1 386.420 1.062 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1cc(F)cc(F)c1 ZINC000825930696 608408000 /nfs/dbraw/zinc/40/80/00/608408000.db2.gz WORHGJABEXTEKB-UHFFFAOYSA-N -1 1 377.359 1.547 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1cc(F)cc(F)c1 ZINC000825930696 608408003 /nfs/dbraw/zinc/40/80/03/608408003.db2.gz WORHGJABEXTEKB-UHFFFAOYSA-N -1 1 377.359 1.547 20 0 GDADMM Cc1cccc(O[C@@H](C)C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)c1 ZINC000826300328 608421583 /nfs/dbraw/zinc/42/15/83/608421583.db2.gz QGQSBGPABYIAOB-AWEZNQCLSA-N -1 1 394.439 1.081 20 0 GDADMM Cc1cccc(O[C@@H](C)C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)c1 ZINC000826300328 608421585 /nfs/dbraw/zinc/42/15/85/608421585.db2.gz QGQSBGPABYIAOB-AWEZNQCLSA-N -1 1 394.439 1.081 20 0 GDADMM O=C(NCc1nc(CNc2ccc(-c3nnn[n-]3)nn2)cs1)c1ccccc1 ZINC000826444199 608429614 /nfs/dbraw/zinc/42/96/14/608429614.db2.gz VSGFHBZTHCHQAP-UHFFFAOYSA-N -1 1 393.436 1.655 20 0 GDADMM O=C(NCc1nc(CNc2ccc(-c3nn[n-]n3)nn2)cs1)c1ccccc1 ZINC000826444199 608429615 /nfs/dbraw/zinc/42/96/15/608429615.db2.gz VSGFHBZTHCHQAP-UHFFFAOYSA-N -1 1 393.436 1.655 20 0 GDADMM CCc1nn(CC(=O)c2c[nH]c3ncccc23)c(=O)c(-c2nn[n-]n2)c1CC ZINC000825762472 608470764 /nfs/dbraw/zinc/47/07/64/608470764.db2.gz CIXLGBFQGMWPDM-UHFFFAOYSA-N -1 1 378.396 1.307 20 0 GDADMM COC(=O)[C@H](C)NC(=O)c1ccc(F)cc1NCc1ccnc(-c2nnn[n-]2)c1 ZINC000826104334 608542217 /nfs/dbraw/zinc/54/22/17/608542217.db2.gz URZTYFHHFFOUCN-JTQLQIEISA-N -1 1 399.386 1.304 20 0 GDADMM COC(=O)[C@H](C)NC(=O)c1ccc(F)cc1NCc1ccnc(-c2nn[n-]n2)c1 ZINC000826104334 608542220 /nfs/dbraw/zinc/54/22/20/608542220.db2.gz URZTYFHHFFOUCN-JTQLQIEISA-N -1 1 399.386 1.304 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000825929248 608549288 /nfs/dbraw/zinc/54/92/88/608549288.db2.gz DNXHZPSNDNQYPT-UHFFFAOYSA-N -1 1 395.349 1.686 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000825929248 608549293 /nfs/dbraw/zinc/54/92/93/608549293.db2.gz DNXHZPSNDNQYPT-UHFFFAOYSA-N -1 1 395.349 1.686 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cnc2ccsc2c1 ZINC000825935071 608555100 /nfs/dbraw/zinc/55/51/00/608555100.db2.gz UFEIPISWOZHBCS-UHFFFAOYSA-N -1 1 383.441 1.487 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cnc2ccsc2c1 ZINC000825935071 608555101 /nfs/dbraw/zinc/55/51/01/608555101.db2.gz UFEIPISWOZHBCS-UHFFFAOYSA-N -1 1 383.441 1.487 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cc(F)c(Cl)cc1F ZINC000825934354 608555164 /nfs/dbraw/zinc/55/51/64/608555164.db2.gz NWRCDNGQGKRRNQ-UHFFFAOYSA-N -1 1 396.789 1.808 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cc(F)c(Cl)cc1F ZINC000825934354 608555165 /nfs/dbraw/zinc/55/51/65/608555165.db2.gz NWRCDNGQGKRRNQ-UHFFFAOYSA-N -1 1 396.789 1.808 20 0 GDADMM CC(C)COc1ccccc1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824272325 608557586 /nfs/dbraw/zinc/55/75/86/608557586.db2.gz WBNGAPDXOIFDIL-UHFFFAOYSA-N -1 1 398.471 1.912 20 0 GDADMM CC(C)COc1ccccc1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824272325 608557588 /nfs/dbraw/zinc/55/75/88/608557588.db2.gz WBNGAPDXOIFDIL-UHFFFAOYSA-N -1 1 398.471 1.912 20 0 GDADMM COc1cccc([C@H](C)C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000826214629 608558590 /nfs/dbraw/zinc/55/85/90/608558590.db2.gz RPSIMAVGNVEPIG-NSHDSACASA-N -1 1 384.444 1.375 20 0 GDADMM COc1cccc([C@H](C)C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000826214629 608558592 /nfs/dbraw/zinc/55/85/92/608558592.db2.gz RPSIMAVGNVEPIG-NSHDSACASA-N -1 1 384.444 1.375 20 0 GDADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NCCCc1nnc2n1CCCC2 ZINC000826523211 608584902 /nfs/dbraw/zinc/58/49/02/608584902.db2.gz FLFAVKQFTHOQDV-UHFFFAOYSA-N -1 1 376.428 1.782 20 0 GDADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NCCCc1nnc2n1CCCC2 ZINC000826523211 608584903 /nfs/dbraw/zinc/58/49/03/608584903.db2.gz FLFAVKQFTHOQDV-UHFFFAOYSA-N -1 1 376.428 1.782 20 0 GDADMM CN(CC(=O)Nc1ccc(Br)cn1)Cc1ccc(-c2nnn[n-]2)o1 ZINC000825892025 608673806 /nfs/dbraw/zinc/67/38/06/608673806.db2.gz CIDXZGKCDWLFNZ-UHFFFAOYSA-N -1 1 392.217 1.688 20 0 GDADMM CN(CC(=O)Nc1ccc(Br)cn1)Cc1ccc(-c2nn[n-]n2)o1 ZINC000825892025 608673808 /nfs/dbraw/zinc/67/38/08/608673808.db2.gz CIDXZGKCDWLFNZ-UHFFFAOYSA-N -1 1 392.217 1.688 20 0 GDADMM CC1CCC(NC(=O)CN2CCN(Cc3ccc(-c4nnn[n-]4)o3)CC2)CC1 ZINC000824915362 608677091 /nfs/dbraw/zinc/67/70/91/608677091.db2.gz DNBFEWODTFQJGD-UHFFFAOYSA-N -1 1 387.488 1.272 20 0 GDADMM CC1CCC(NC(=O)CN2CCN(Cc3ccc(-c4nn[n-]n4)o3)CC2)CC1 ZINC000824915362 608677096 /nfs/dbraw/zinc/67/70/96/608677096.db2.gz DNBFEWODTFQJGD-UHFFFAOYSA-N -1 1 387.488 1.272 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cc(F)c(F)cc1F ZINC000825000486 608839218 /nfs/dbraw/zinc/83/92/18/608839218.db2.gz RCDIDHKNTLRMNA-SNVBAGLBSA-N -1 1 390.373 1.785 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1cc(F)c(F)cc1F ZINC000825000486 608839220 /nfs/dbraw/zinc/83/92/20/608839220.db2.gz RCDIDHKNTLRMNA-SNVBAGLBSA-N -1 1 390.373 1.785 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1nc2ccccc2[nH]1 ZINC000825001044 608840136 /nfs/dbraw/zinc/84/01/36/608840136.db2.gz WOCOIRBRIDFWOF-LBPRGKRZSA-N -1 1 376.428 1.244 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1nc2ccccc2[nH]1 ZINC000825001044 608840137 /nfs/dbraw/zinc/84/01/37/608840137.db2.gz WOCOIRBRIDFWOF-LBPRGKRZSA-N -1 1 376.428 1.244 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H](CO)c1ccccc1 ZINC000822004945 608859057 /nfs/dbraw/zinc/85/90/57/608859057.db2.gz MIUHKCPUIXSFNZ-HNNXBMFYSA-N -1 1 382.424 1.367 20 0 GDADMM Cc1cc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)nn1-c1cccc(Cl)c1 ZINC000826269902 609266608 /nfs/dbraw/zinc/26/66/08/609266608.db2.gz BFTSHGCBCKUROL-UHFFFAOYSA-N -1 1 384.791 1.244 20 0 GDADMM CN(Cc1ccco1)C(=O)CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825985976 609278939 /nfs/dbraw/zinc/27/89/39/609278939.db2.gz JIJXSMKKJCHREN-UHFFFAOYSA-N -1 1 396.386 1.855 20 0 GDADMM COCc1ccccc1CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826164630 609298886 /nfs/dbraw/zinc/29/88/86/609298886.db2.gz JGDBXODWDMVMSR-UHFFFAOYSA-N -1 1 399.459 1.093 20 0 GDADMM COCc1ccccc1CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826164630 609298888 /nfs/dbraw/zinc/29/88/88/609298888.db2.gz JGDBXODWDMVMSR-UHFFFAOYSA-N -1 1 399.459 1.093 20 0 GDADMM C[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)[C@@H](C)c1ccccc1 ZINC000824489697 609303465 /nfs/dbraw/zinc/30/34/65/609303465.db2.gz MVBRFNCHKQLUMN-OLZOCXBDSA-N -1 1 397.487 1.938 20 0 GDADMM C[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)[C@@H](C)c1ccccc1 ZINC000824489697 609303466 /nfs/dbraw/zinc/30/34/66/609303466.db2.gz MVBRFNCHKQLUMN-OLZOCXBDSA-N -1 1 397.487 1.938 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@@H]1CCc2c1cccc2O ZINC000825929126 609304033 /nfs/dbraw/zinc/30/40/33/609304033.db2.gz BCFYADFXZNDCOL-GFCCVEGCSA-N -1 1 397.443 1.139 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@@H]1CCc2c1cccc2O ZINC000825929126 609304035 /nfs/dbraw/zinc/30/40/35/609304035.db2.gz BCFYADFXZNDCOL-GFCCVEGCSA-N -1 1 397.443 1.139 20 0 GDADMM CC(C)CC1(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CC1 ZINC000824235627 609307488 /nfs/dbraw/zinc/30/74/88/609307488.db2.gz JCSPRMSEFIIQSM-UHFFFAOYSA-N -1 1 375.481 1.572 20 0 GDADMM CC(C)CC1(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CC1 ZINC000824235627 609307490 /nfs/dbraw/zinc/30/74/90/609307490.db2.gz JCSPRMSEFIIQSM-UHFFFAOYSA-N -1 1 375.481 1.572 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@@H](OC(F)F)C1 ZINC000826495129 609319251 /nfs/dbraw/zinc/31/92/51/609319251.db2.gz DKMJIQWODFKGFF-MRVPVSSYSA-N -1 1 377.348 1.398 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCC[C@@H](OC(F)F)C1 ZINC000826494545 609320866 /nfs/dbraw/zinc/32/08/66/609320866.db2.gz HABMQPKDUCTGOG-SECBINFHSA-N -1 1 393.803 1.912 20 0 GDADMM COc1cccc2[nH]cc(CCNS(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)c21 ZINC000826217263 609334016 /nfs/dbraw/zinc/33/40/16/609334016.db2.gz FEDGTMVUPBGCLK-UHFFFAOYSA-N -1 1 399.436 1.273 20 0 GDADMM COc1cccc2[nH]cc(CCNS(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)c21 ZINC000826217263 609334018 /nfs/dbraw/zinc/33/40/18/609334018.db2.gz FEDGTMVUPBGCLK-UHFFFAOYSA-N -1 1 399.436 1.273 20 0 GDADMM C[C@@](CO)(NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C1CC1 ZINC000824436768 609355385 /nfs/dbraw/zinc/35/53/85/609355385.db2.gz UUXFTWOOCMZYBU-KRWDZBQOSA-N -1 1 386.391 1.474 20 0 GDADMM C[C@@H](O)C[C@@H](C)CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824686283 609357831 /nfs/dbraw/zinc/35/78/31/609357831.db2.gz BDQMBICZSYYCCJ-GHMZBOCLSA-N -1 1 388.407 1.720 20 0 GDADMM Cc1c(CNC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cnn1C ZINC000826236698 609358628 /nfs/dbraw/zinc/35/86/28/609358628.db2.gz YKPAKILMOOBEKI-UHFFFAOYSA-N -1 1 396.390 1.555 20 0 GDADMM C[C@H](NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)[C@H]1CCOC1 ZINC000824507092 609360905 /nfs/dbraw/zinc/36/09/05/609360905.db2.gz UCAPLRBNMCHVBT-QWRGUYRKSA-N -1 1 386.391 1.738 20 0 GDADMM CC(C)N(C[C@H](C)O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824699023 609362760 /nfs/dbraw/zinc/36/27/60/609362760.db2.gz PFDYMLSSFIHOQB-NSHDSACASA-N -1 1 388.407 1.815 20 0 GDADMM C[C@@H]1COCCN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1 ZINC000825006786 609365600 /nfs/dbraw/zinc/36/56/00/609365600.db2.gz PSSCXQXJILUYGA-NSHDSACASA-N -1 1 386.391 1.692 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@H]2CC(C)(C)OC2(C)C)cc1-c1nn[n-]n1 ZINC000826229533 609399741 /nfs/dbraw/zinc/39/97/41/609399741.db2.gz IEWOSEFZEGYNKR-JTQLQIEISA-N -1 1 378.458 1.765 20 0 GDADMM CCN(C)S(=O)(=O)[N-]c1ccn(-c2ccc(-c3nn[nH]n3)cc2Cl)n1 ZINC000825391014 609456834 /nfs/dbraw/zinc/45/68/34/609456834.db2.gz SCQKPRCLIQEPHK-UHFFFAOYSA-N -1 1 382.837 1.314 20 0 GDADMM C[C@H](O)[C@@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C1 ZINC000824689490 609582151 /nfs/dbraw/zinc/58/21/51/609582151.db2.gz LNBINZKZAVNGHC-DTWKUNHWSA-N -1 1 391.375 1.277 20 0 GDADMM C[C@H]1CC[C@@H](C(F)(F)F)CN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824908863 609586500 /nfs/dbraw/zinc/58/65/00/609586500.db2.gz RCTRUIRAQHMBAX-DTWKUNHWSA-N -1 1 376.364 1.613 20 0 GDADMM C[C@H]1CC[C@@H](C(F)(F)F)CN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824908863 609586502 /nfs/dbraw/zinc/58/65/02/609586502.db2.gz RCTRUIRAQHMBAX-DTWKUNHWSA-N -1 1 376.364 1.613 20 0 GDADMM O=C(NCCCOCCOCc1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826436832 609607233 /nfs/dbraw/zinc/60/72/33/609607233.db2.gz KVJBOJLZWXIRCD-UHFFFAOYSA-N -1 1 382.424 1.615 20 0 GDADMM O=C(NCCCOCCOCc1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826436832 609607236 /nfs/dbraw/zinc/60/72/36/609607236.db2.gz KVJBOJLZWXIRCD-UHFFFAOYSA-N -1 1 382.424 1.615 20 0 GDADMM COc1cc([N-]C(=O)c2sccc2S(=O)(=O)N2CCCCC2)ncn1 ZINC000533603426 650210162 /nfs/dbraw/zinc/21/01/62/650210162.db2.gz FPJGSNUVDOESEH-UHFFFAOYSA-N -1 1 382.467 1.974 20 0 GDADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CC(N)=O)c2cccc(Cl)c2)co1 ZINC000534411308 650220712 /nfs/dbraw/zinc/22/07/12/650220712.db2.gz QTOIOYFOCHOGDM-GFCCVEGCSA-N -1 1 385.829 1.188 20 0 GDADMM CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)[N-]c1cc(C)n(C)n1 ZINC000536414038 650270559 /nfs/dbraw/zinc/27/05/59/650270559.db2.gz GUOAJIDCIDCYII-UHFFFAOYSA-N -1 1 388.471 1.300 20 0 GDADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@H]3COCC[C@@H]32)c(F)c1 ZINC000536906034 650283601 /nfs/dbraw/zinc/28/36/01/650283601.db2.gz SHOAQJXLVPMPHX-FZMZJTMJSA-N -1 1 392.474 1.387 20 0 GDADMM COc1ccc([O-])c(S(=O)(=O)Nc2cccn(CC(F)(F)F)c2=O)c1 ZINC000539400398 650334124 /nfs/dbraw/zinc/33/41/24/650334124.db2.gz MFEWIILVQAIQNM-UHFFFAOYSA-N -1 1 378.328 1.926 20 0 GDADMM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]CC[C@H](O)C(F)(F)F ZINC000544609730 650441813 /nfs/dbraw/zinc/44/18/13/650441813.db2.gz ULAFQMKIGJDBOU-JTQLQIEISA-N -1 1 375.752 1.718 20 0 GDADMM CC[C@@H]([N-]S(=O)(=O)c1c(Br)ccc(OC)c1F)C(=O)NC ZINC000916173152 660188079 /nfs/dbraw/zinc/18/80/79/660188079.db2.gz UGAGRQJPTUODJD-MRVPVSSYSA-N -1 1 383.239 1.400 20 0 GDADMM O=C([O-])[C@@H](Cc1cnc[nH]1)NS(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000547871032 650517610 /nfs/dbraw/zinc/51/76/10/650517610.db2.gz VUKIWOXMEFQJBB-GFCCVEGCSA-N -1 1 378.435 1.507 20 0 GDADMM CC[C@@H](C(=O)OC)N1CCN(C(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000553280206 650641572 /nfs/dbraw/zinc/64/15/72/650641572.db2.gz WPVGXENPESBCBT-ZDUSSCGKSA-N -1 1 385.258 1.864 20 0 GDADMM O=S(=O)([N-][C@H](C1CC1)C1(CO)CCOCC1)c1ccc(Br)o1 ZINC000555422925 650690785 /nfs/dbraw/zinc/69/07/85/650690785.db2.gz NZRZBFMWXBLOAK-CYBMUJFWSA-N -1 1 394.287 1.888 20 0 GDADMM COC(=O)c1cncc(S(=O)(=O)[N-][C@H](c2nccs2)C(F)(F)F)c1 ZINC000555412703 650690411 /nfs/dbraw/zinc/69/04/11/650690411.db2.gz IUEMBTKPIXNTDS-SECBINFHSA-N -1 1 381.357 1.907 20 0 GDADMM NC(=O)c1coc(C[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)c1 ZINC000557432166 650725461 /nfs/dbraw/zinc/72/54/61/650725461.db2.gz DFJJMNCMQGTPAM-UHFFFAOYSA-N -1 1 382.291 1.895 20 0 GDADMM C[C@H]1COCC[C@H]1NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000564526576 650760339 /nfs/dbraw/zinc/76/03/39/650760339.db2.gz AAROMFCIQWPGBC-JOYOIKCWSA-N -1 1 381.281 1.813 20 0 GDADMM CCC(CC)(NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(N)=O ZINC000565895127 650819853 /nfs/dbraw/zinc/81/98/53/650819853.db2.gz RSCUXICZSJHLLC-UHFFFAOYSA-N -1 1 396.296 1.432 20 0 GDADMM O=C1CC[C@H]([N-]S(=O)(=O)c2nc3ccccc3s2)[C@@H]([C@H]2CCCO2)N1 ZINC000566007168 650825807 /nfs/dbraw/zinc/82/58/07/650825807.db2.gz JUQAPDCFVLVWBB-ZOWXZIJZSA-N -1 1 381.479 1.401 20 0 GDADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1cccc(F)c1F)[C@@H]1CCCOC1 ZINC000566169978 650831951 /nfs/dbraw/zinc/83/19/51/650831951.db2.gz YIILQHPZUORSCF-ABAIWWIYSA-N -1 1 377.409 1.743 20 0 GDADMM O=S(=O)([N-]c1cnc[nH]1)c1ccc(S(=O)(=O)NC2(C(F)F)CC2)cc1 ZINC000566487176 650849202 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[O-]c1cc(Br)cnc1CNc1cnn(CCN2CCOCC2)c1 ZINC000893246282 658390066 /nfs/dbraw/zinc/39/00/66/658390066.db2.gz NRKUFHVOMLIALU-UHFFFAOYSA-N -1 1 382.262 1.691 20 0 GDADMM O=C(c1cnc(I)c([O-])c1)N1CCC[C@H]1c1nnc[nH]1 ZINC000899107619 658984358 /nfs/dbraw/zinc/98/43/58/658984358.db2.gz RPFHIOCOKJLVMT-QMMMGPOBSA-N -1 1 385.165 1.487 20 0 GDADMM CCc1cc(=O)[n-]c(SCC(=O)N(CC(=O)N(C)C)CC(F)(F)F)n1 ZINC000901539157 659218435 /nfs/dbraw/zinc/21/84/35/659218435.db2.gz WKKHNYORWYYQCU-UHFFFAOYSA-N -1 1 380.392 1.316 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cnc(I)c(O)c2)[C@@H]1C(=O)[O-] ZINC000901693074 659228868 /nfs/dbraw/zinc/22/88/68/659228868.db2.gz ADFUXKJZJFNJME-XCBNKYQSSA-N -1 1 390.177 1.717 20 0 GDADMM CCn1cc(Cl)c([N-]S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)n1 ZINC000901712948 659229647 /nfs/dbraw/zinc/22/96/47/659229647.db2.gz IQSGGMVAIBHQEB-UHFFFAOYSA-N -1 1 377.875 1.902 20 0 GDADMM O=C([N-]CCCc1ccc(S(=O)(=O)N2C[C@@H]3C[C@@H]3C2)cc1)C(F)(F)F ZINC000901940376 659239873 /nfs/dbraw/zinc/23/98/73/659239873.db2.gz IYYIOEIUWZIDKE-BETUJISGSA-N -1 1 376.400 1.938 20 0 GDADMM C[C@]1(C(=O)[O-])CCCN1C(=O)c1cnc(I)c(O)c1 ZINC000902107379 659245787 /nfs/dbraw/zinc/24/57/87/659245787.db2.gz RJZBHAWGZLCZEJ-GFCCVEGCSA-N -1 1 376.150 1.471 20 0 GDADMM Cc1cc(NC(=O)CNCc2cn(C)nc2C(=O)[O-])ccc1Br ZINC000902206838 659248143 /nfs/dbraw/zinc/24/81/43/659248143.db2.gz UCMOXWJAXZBNQT-UHFFFAOYSA-N -1 1 381.230 1.918 20 0 GDADMM Cn1cc(CN[C@H]2CCN(c3cccc(Br)c3)C2=O)c(C(=O)[O-])n1 ZINC000902364888 659253405 /nfs/dbraw/zinc/25/34/05/659253405.db2.gz NSHVYZGFRBDJGP-ZDUSSCGKSA-N -1 1 393.241 1.776 20 0 GDADMM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1nc2cc(F)c(Br)cc2[nH]1 ZINC000903675340 659372908 /nfs/dbraw/zinc/37/29/08/659372908.db2.gz BJBYCNXQSMVIOD-ZCFIWIBFSA-N -1 1 393.238 1.683 20 0 GDADMM C[C@H](CO)N(C)S(=O)(=O)c1ccc(CCC[N-]C(=O)C(F)(F)F)cc1 ZINC000907066621 659657754 /nfs/dbraw/zinc/65/77/54/659657754.db2.gz XFUFCLOXDYYFQU-LLVKDONJSA-N -1 1 382.404 1.299 20 0 GDADMM Nc1c[nH]nc1[C@@H]1CCN(C(=O)c2ccc(I)c([O-])c2)C1 ZINC000907419482 659749210 /nfs/dbraw/zinc/74/92/10/659749210.db2.gz PVZVYWONWGOGQG-SECBINFHSA-N -1 1 398.204 1.932 20 0 GDADMM CO[C@H](C(=O)N1CCSC[C@@H]1c1nn[n-]n1)c1ccccc1Br ZINC000907479580 659760327 /nfs/dbraw/zinc/76/03/27/659760327.db2.gz FSZZMMIQDYRWAP-NEPJUHHUSA-N -1 1 398.286 1.966 20 0 GDADMM O=C(c1nn2c(c1Br)CCC2)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907478956 659760605 /nfs/dbraw/zinc/76/06/05/659760605.db2.gz YCZMFQAOLVTTPF-QMMMGPOBSA-N -1 1 384.263 1.035 20 0 GDADMM O=C([C@H]1Cc2cc(Br)ccc2O1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907480403 659761183 /nfs/dbraw/zinc/76/11/83/659761183.db2.gz UETRZTHTQZVCOF-CMPLNLGQSA-N -1 1 396.270 1.582 20 0 GDADMM O=C(Nc1cccc([O-])c1Br)[C@@H]1C[C@H](O)CN1c1ccncn1 ZINC000908709618 659930397 /nfs/dbraw/zinc/93/03/97/659930397.db2.gz HYKZZRWFHDLYEZ-ONGXEEELSA-N -1 1 379.214 1.523 20 0 GDADMM CC(C)(C(=O)[O-])N1CCN(C(=O)c2cnn3cc(Br)cnc23)CC1 ZINC000910177175 659964152 /nfs/dbraw/zinc/96/41/52/659964152.db2.gz JDTJNLFTNJLMCX-UHFFFAOYSA-N -1 1 396.245 1.113 20 0 GDADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]Nc1c(Cl)cc(F)cc1Cl ZINC000912525741 660040857 /nfs/dbraw/zinc/04/08/57/660040857.db2.gz DUDAFQSMGOHEMT-UHFFFAOYSA-N -1 1 383.188 1.948 20 0 GDADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCOc1ncc(Cl)cc1Cl ZINC000912543398 660041851 /nfs/dbraw/zinc/04/18/51/660041851.db2.gz WJFYQQSHIABPKB-UHFFFAOYSA-N -1 1 395.224 1.255 20 0 GDADMM CSCC[C@H](NC(=O)[C@H]1Cc2cc(Br)ccc2O1)c1nn[n-]n1 ZINC000912862003 660057111 /nfs/dbraw/zinc/05/71/11/660057111.db2.gz GOIPPIMJORAYQK-CMPLNLGQSA-N -1 1 398.286 1.876 20 0 GDADMM O=C(CSCc1ccc(Br)cc1)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913493238 660082304 /nfs/dbraw/zinc/08/23/04/660082304.db2.gz KAZCYSKYJAFRRM-LBPRGKRZSA-N -1 1 398.286 1.796 20 0 GDADMM Cc1nc(CC(F)(F)F)sc1CC(=O)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913493538 660082469 /nfs/dbraw/zinc/08/24/69/660082469.db2.gz ASZMZCKSUDJASJ-QMMMGPOBSA-N -1 1 376.364 1.212 20 0 GDADMM O=C([C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913493509 660082503 /nfs/dbraw/zinc/08/25/03/660082503.db2.gz ZYKYGVYUVZUYQZ-RUZUBIRVSA-N -1 1 390.241 1.448 20 0 GDADMM O=C([C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913494153 660082860 /nfs/dbraw/zinc/08/28/60/660082860.db2.gz TZQQBPQZBWPDJA-ZOBORPQBSA-N -1 1 390.241 1.448 20 0 GDADMM O=C(Cc1csc(CCC(F)(F)F)n1)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913494161 660082870 /nfs/dbraw/zinc/08/28/70/660082870.db2.gz UJLSMXZAPWYMJE-VIFPVBQESA-N -1 1 376.364 1.294 20 0 GDADMM C[C@H](Oc1cccc(Br)c1)C(=O)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913494801 660082986 /nfs/dbraw/zinc/08/29/86/660082986.db2.gz CVVVCMSSHZEMDN-JOYOIKCWSA-N -1 1 382.218 1.330 20 0 GDADMM Cc1cc(C(=O)NC23CCN(CC2)C3)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC000913630791 660090359 /nfs/dbraw/zinc/09/03/59/660090359.db2.gz JFFRGJAZNZBDHY-UHFFFAOYSA-N -1 1 377.388 1.835 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2CCCN(C)C2=O)c1F ZINC000914222586 660128744 /nfs/dbraw/zinc/12/87/44/660128744.db2.gz KHIJAXZUZUNLET-VIFPVBQESA-N -1 1 395.250 1.496 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H](C)C(=O)N(C)C)c1F ZINC000914227772 660129460 /nfs/dbraw/zinc/12/94/60/660129460.db2.gz AFDQVPWTFMRUSV-SSDOTTSWSA-N -1 1 383.239 1.352 20 0 GDADMM COC[C@@H](CCO)[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000914298612 660136858 /nfs/dbraw/zinc/13/68/58/660136858.db2.gz BSHGCZNIQSBZOG-MRVPVSSYSA-N -1 1 386.239 1.273 20 0 GDADMM COC[C@H]([N-]S(=O)(=O)Cc1cccc(Cl)c1Br)C(N)=O ZINC000914303359 660137553 /nfs/dbraw/zinc/13/75/53/660137553.db2.gz XMYQXCFDDQEMOD-VIFPVBQESA-N -1 1 385.667 1.022 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-]CC(=O)NCC2CC2)c1F ZINC000914340198 660141105 /nfs/dbraw/zinc/14/11/05/660141105.db2.gz VIDQNHJQQHVNMN-UHFFFAOYSA-N -1 1 395.250 1.401 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-]CCn2ccnn2)c1F ZINC000914351274 660141964 /nfs/dbraw/zinc/14/19/64/660141964.db2.gz AXDGUTCJYZKSLS-UHFFFAOYSA-N -1 1 379.211 1.167 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](C)c2ncnn2C)c1F ZINC000914425518 660150273 /nfs/dbraw/zinc/15/02/73/660150273.db2.gz WUPCKXZAHBLPLN-ZETCQYMHSA-N -1 1 393.238 1.765 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@]2(C)CCOC2=O)c1F ZINC000915753208 660178037 /nfs/dbraw/zinc/17/80/37/660178037.db2.gz RSKSHLNMEIUUOB-GFCCVEGCSA-N -1 1 382.207 1.581 20 0 GDADMM COCC[C@@H]([N-]S(=O)(=O)Cc1ccc(F)cc1Br)C(=O)OC ZINC000915764044 660178267 /nfs/dbraw/zinc/17/82/67/660178267.db2.gz VLHQIIXZEKUBHF-GFCCVEGCSA-N -1 1 398.250 1.586 20 0 GDADMM CC/C=C/C[N-]S(=O)(=O)c1c(OC)nn2cc(Br)cnc12 ZINC000916060614 660183951 /nfs/dbraw/zinc/18/39/51/660183951.db2.gz GTDQRAZUFFLUHT-SNAWJCMRSA-N -1 1 375.248 1.745 20 0 GDADMM Cn1cncc1C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000388456886 677677613 /nfs/dbraw/zinc/67/76/13/677677613.db2.gz YUSJXZFRWLNWLJ-UHFFFAOYSA-N -1 1 375.204 1.569 20 0 GDADMM CC(C)C(=O)Nc1nc(CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cs1 ZINC000820011420 945329054 /nfs/dbraw/zinc/32/90/54/945329054.db2.gz MGWDJJAPJZMPBP-UHFFFAOYSA-N -1 1 387.425 1.805 20 0 GDADMM O=C([O-])[C@@H](Cc1ccccc1)NCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC001601324480 970976539 /nfs/dbraw/zinc/97/65/39/970976539.db2.gz XPBGHOXODXCJAR-OAHLLOKOSA-N -1 1 399.403 1.391 20 0 GDADMM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000590695249 944637547 /nfs/dbraw/zinc/63/75/47/944637547.db2.gz DOVZTSLWJOZVHK-UHFFFAOYSA-N -1 1 386.437 1.346 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)c3cncs3)C[C@@H]2C)n1 ZINC001571261185 945424541 /nfs/dbraw/zinc/42/45/41/945424541.db2.gz BJPNACVOMKATOJ-QWRGUYRKSA-N -1 1 385.457 1.209 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)c3cncs3)C[C@@H]2C)n1 ZINC001571261185 945424546 /nfs/dbraw/zinc/42/45/46/945424546.db2.gz BJPNACVOMKATOJ-QWRGUYRKSA-N -1 1 385.457 1.209 20 0 GDADMM CCc1ncsc1C(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571261364 945424761 /nfs/dbraw/zinc/42/47/61/945424761.db2.gz DGWJGWAEYSXVDS-SNVBAGLBSA-N -1 1 385.457 1.392 20 0 GDADMM CCc1ncsc1C(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571261364 945424767 /nfs/dbraw/zinc/42/47/67/945424767.db2.gz DGWJGWAEYSXVDS-SNVBAGLBSA-N -1 1 385.457 1.392 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1cncs1 ZINC001571261648 945428920 /nfs/dbraw/zinc/42/89/20/945428920.db2.gz HSULISIYHSNEPZ-ZYHUDNBSSA-N -1 1 385.457 1.147 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1cncs1 ZINC001571261648 945428925 /nfs/dbraw/zinc/42/89/25/945428925.db2.gz HSULISIYHSNEPZ-ZYHUDNBSSA-N -1 1 385.457 1.147 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1cncs1 ZINC001571261647 945429502 /nfs/dbraw/zinc/42/95/02/945429502.db2.gz HSULISIYHSNEPZ-PWSUYJOCSA-N -1 1 385.457 1.147 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1cncs1 ZINC001571261647 945429504 /nfs/dbraw/zinc/42/95/04/945429504.db2.gz HSULISIYHSNEPZ-PWSUYJOCSA-N -1 1 385.457 1.147 20 0 GDADMM CCc1ncc(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)s1 ZINC001571262536 945439357 /nfs/dbraw/zinc/43/93/57/945439357.db2.gz STVMBOBBKDCVAY-SNVBAGLBSA-N -1 1 385.457 1.074 20 0 GDADMM Cc1nc(C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)sc1C ZINC001571263210 945453302 /nfs/dbraw/zinc/45/33/02/945453302.db2.gz KARUELSLDAVGLA-NSHDSACASA-N -1 1 385.457 1.129 20 0 GDADMM Cc1nc(C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)sc1C ZINC001571263210 945453306 /nfs/dbraw/zinc/45/33/06/945453306.db2.gz KARUELSLDAVGLA-NSHDSACASA-N -1 1 385.457 1.129 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCCCN2C(=O)c2ccsn2)n1 ZINC001571263255 945453885 /nfs/dbraw/zinc/45/38/85/945453885.db2.gz LDDGJGNZJJFOGJ-LLVKDONJSA-N -1 1 385.457 1.528 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCCCN2C(=O)c2ccsn2)n1 ZINC001571263255 945453895 /nfs/dbraw/zinc/45/38/95/945453895.db2.gz LDDGJGNZJJFOGJ-LLVKDONJSA-N -1 1 385.457 1.528 20 0 GDADMM Cc1ncc(C(=O)N2CC[C@H](CN(C)c3ccc(-c4nnn[n-]4)nn3)C2)s1 ZINC001571263256 945454444 /nfs/dbraw/zinc/45/44/44/945454444.db2.gz LDJSXOXBPJFESY-LLVKDONJSA-N -1 1 385.457 1.020 20 0 GDADMM Cc1ncc(C(=O)N2CC[C@H](CN(C)c3ccc(-c4nn[n-]n4)nn3)C2)s1 ZINC001571263256 945454448 /nfs/dbraw/zinc/45/44/48/945454448.db2.gz LDJSXOXBPJFESY-LLVKDONJSA-N -1 1 385.457 1.020 20 0 GDADMM O=C(Cc1cncs1)N[C@H]1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571263671 945463961 /nfs/dbraw/zinc/46/39/61/945463961.db2.gz WKFPMDWMSURZBJ-PWSUYJOCSA-N -1 1 385.457 1.053 20 0 GDADMM O=C(Cc1cncs1)N[C@H]1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571263671 945463966 /nfs/dbraw/zinc/46/39/66/945463966.db2.gz WKFPMDWMSURZBJ-PWSUYJOCSA-N -1 1 385.457 1.053 20 0 GDADMM O=C(c1ccncc1Cl)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571266068 945528716 /nfs/dbraw/zinc/52/87/16/945528716.db2.gz VMBGXXBYFVZGDQ-SNVBAGLBSA-N -1 1 385.819 1.422 20 0 GDADMM O=C(c1ccncc1Cl)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571266068 945528724 /nfs/dbraw/zinc/52/87/24/945528724.db2.gz VMBGXXBYFVZGDQ-SNVBAGLBSA-N -1 1 385.819 1.422 20 0 GDADMM O=C(c1cc(F)cc(F)c1)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571267438 945569605 /nfs/dbraw/zinc/56/96/05/945569605.db2.gz VHKSACZBRRYHFD-CYBMUJFWSA-N -1 1 386.366 1.652 20 0 GDADMM O=C(c1cc(F)cc(F)c1)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571267438 945569613 /nfs/dbraw/zinc/56/96/13/945569613.db2.gz VHKSACZBRRYHFD-CYBMUJFWSA-N -1 1 386.366 1.652 20 0 GDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC001571267705 945577929 /nfs/dbraw/zinc/57/79/29/945577929.db2.gz CIWCAGVNSFRWQD-SNVBAGLBSA-N -1 1 386.412 1.737 20 0 GDADMM CN1C(=O)COc2cccc(NC(=O)NCc3nc(-c4nnn[n-]4)cs3)c21 ZINC001571267855 945580929 /nfs/dbraw/zinc/58/09/29/945580929.db2.gz GSYJQMJJDJCPSK-UHFFFAOYSA-N -1 1 386.397 1.000 20 0 GDADMM CN1C(=O)COc2cccc(NC(=O)NCc3nc(-c4nn[n-]n4)cs3)c21 ZINC001571267855 945580935 /nfs/dbraw/zinc/58/09/35/945580935.db2.gz GSYJQMJJDJCPSK-UHFFFAOYSA-N -1 1 386.397 1.000 20 0 GDADMM COc1ccsc1C(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571269938 945627951 /nfs/dbraw/zinc/62/79/51/945627951.db2.gz IKUYKZQSWNZFTG-SNVBAGLBSA-N -1 1 386.441 1.444 20 0 GDADMM COc1ccsc1C(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571269938 945627956 /nfs/dbraw/zinc/62/79/56/945627956.db2.gz IKUYKZQSWNZFTG-SNVBAGLBSA-N -1 1 386.441 1.444 20 0 GDADMM C[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CN1C(=O)COc1ccsc1 ZINC001571270227 945633244 /nfs/dbraw/zinc/63/32/44/945633244.db2.gz NXCXVUHCRPFBJO-QWRGUYRKSA-N -1 1 386.441 1.199 20 0 GDADMM C[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CN1C(=O)COc1ccsc1 ZINC001571270227 945633250 /nfs/dbraw/zinc/63/32/50/945633250.db2.gz NXCXVUHCRPFBJO-QWRGUYRKSA-N -1 1 386.441 1.199 20 0 GDADMM O=C(c1cnsn1)N1CCCC[C@@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001571270491 945637158 /nfs/dbraw/zinc/63/71/58/945637158.db2.gz UEGWLQZQLLIRRN-SNVBAGLBSA-N -1 1 386.445 1.005 20 0 GDADMM O=C(c1cnsn1)N1CCCC[C@@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001571270491 945637162 /nfs/dbraw/zinc/63/71/62/945637162.db2.gz UEGWLQZQLLIRRN-SNVBAGLBSA-N -1 1 386.445 1.005 20 0 GDADMM Cc1nsc(N2CCN(C(=O)c3ccc(C)[nH]c3=O)CC2)c1-c1nn[n-]n1 ZINC001571270724 945643232 /nfs/dbraw/zinc/64/32/32/945643232.db2.gz ZSWUKRDSRFBUMZ-UHFFFAOYSA-N -1 1 386.441 1.003 20 0 GDADMM Cc1nsc(N2CCC[C@H]([C@@H](C)NC(=O)c3cc[nH]c3)C2)c1-c1nn[n-]n1 ZINC001571271580 945646446 /nfs/dbraw/zinc/64/64/46/945646446.db2.gz DVFGODXYMKNZFY-MFKMUULPSA-N -1 1 386.485 1.995 20 0 GDADMM Cc1ccn(C)c1C(=O)N1CC[C@H](N(C)c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571271966 945653422 /nfs/dbraw/zinc/65/34/22/945653422.db2.gz NCOQWIJCNWEYRD-LBPRGKRZSA-N -1 1 386.485 1.629 20 0 GDADMM CN(C(=O)[C@H]1CCCOC1)C1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571273315 945683109 /nfs/dbraw/zinc/68/31/09/945683109.db2.gz VJSUIRDUEXSFIV-HSBZDZAISA-N -1 1 386.460 1.265 20 0 GDADMM CN(C(=O)[C@H]1CCCOC1)C1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571273315 945683112 /nfs/dbraw/zinc/68/31/12/945683112.db2.gz VJSUIRDUEXSFIV-HSBZDZAISA-N -1 1 386.460 1.265 20 0 GDADMM CCc1nc(N[C@H]2CCCN(C(=O)[C@H]3CCCCO3)C2)cc(-c2nnn[n-]2)n1 ZINC001571273239 945683241 /nfs/dbraw/zinc/68/32/41/945683241.db2.gz TXTSEKWKNRSZFX-GXTWGEPZSA-N -1 1 386.460 1.191 20 0 GDADMM CCc1nc(N[C@H]2CCCN(C(=O)[C@H]3CCCCO3)C2)cc(-c2nn[n-]n2)n1 ZINC001571273239 945683248 /nfs/dbraw/zinc/68/32/48/945683248.db2.gz TXTSEKWKNRSZFX-GXTWGEPZSA-N -1 1 386.460 1.191 20 0 GDADMM CCn1c2ccccc2n(CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1=O ZINC000821564140 945717488 /nfs/dbraw/zinc/71/74/88/945717488.db2.gz VBCJJKVCBAANEE-UHFFFAOYSA-N -1 1 379.380 1.347 20 0 GDADMM COC(=O)C[C@@H](NC(=O)c1csc(-c2nn[n-]n2)c1)c1ccc(OC)cc1 ZINC001571276166 945725974 /nfs/dbraw/zinc/72/59/74/945725974.db2.gz DMFIRGLUUWXXCQ-CYBMUJFWSA-N -1 1 387.421 1.971 20 0 GDADMM CCO[C@@H]1CN(C(=O)CC2CCC2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571276580 945732510 /nfs/dbraw/zinc/73/25/10/945732510.db2.gz IUDXLAAFKGOBSD-UKRRQHHQSA-N -1 1 386.460 1.122 20 0 GDADMM CCO[C@@H]1CN(C(=O)CC2CCC2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571276580 945732520 /nfs/dbraw/zinc/73/25/20/945732520.db2.gz IUDXLAAFKGOBSD-UKRRQHHQSA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1ccnc(-c2nnn[n-]2)c1)C1CCC1 ZINC001571278796 945761342 /nfs/dbraw/zinc/76/13/42/945761342.db2.gz CGKIPJMUHJRYIV-CQSZACIVSA-N -1 1 387.444 1.571 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1ccnc(-c2nn[n-]n2)c1)C1CCC1 ZINC001571278796 945761349 /nfs/dbraw/zinc/76/13/49/945761349.db2.gz CGKIPJMUHJRYIV-CQSZACIVSA-N -1 1 387.444 1.571 20 0 GDADMM CC[C@@H]1CC[C@@H](C(=O)N2CCC(C)(Nc3cncc(-c4nnn[n-]4)n3)CC2)O1 ZINC001571279322 945775948 /nfs/dbraw/zinc/77/59/48/945775948.db2.gz UXTXRQUPOASMNX-OCCSQVGLSA-N -1 1 386.460 1.407 20 0 GDADMM CC[C@@H]1CC[C@@H](C(=O)N2CCC(C)(Nc3cncc(-c4nn[n-]n4)n3)CC2)O1 ZINC001571279322 945775958 /nfs/dbraw/zinc/77/59/58/945775958.db2.gz UXTXRQUPOASMNX-OCCSQVGLSA-N -1 1 386.460 1.407 20 0 GDADMM CC[C@@H]1OCC[C@H]1C(=O)N1CC[C@@](C)(CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571279653 945784520 /nfs/dbraw/zinc/78/45/20/945784520.db2.gz XRILMLATZNXMKU-IAISJRAMSA-N -1 1 386.460 1.122 20 0 GDADMM CC[C@@H]1OCC[C@H]1C(=O)N1CC[C@@](C)(CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571279653 945784531 /nfs/dbraw/zinc/78/45/31/945784531.db2.gz XRILMLATZNXMKU-IAISJRAMSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CO[C@H](CCC(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001571280001 945793459 /nfs/dbraw/zinc/79/34/59/945793459.db2.gz ZDCCIAAUSVYGGL-CHWSQXEVSA-N -1 1 386.460 1.265 20 0 GDADMM CC1(C)CO[C@H](CCC(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001571280001 945793464 /nfs/dbraw/zinc/79/34/64/945793464.db2.gz ZDCCIAAUSVYGGL-CHWSQXEVSA-N -1 1 386.460 1.265 20 0 GDADMM Cc1cn(C)nc1C(=O)N1CCC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571281158 945797069 /nfs/dbraw/zinc/79/70/69/945797069.db2.gz DMVFUGFVORLENP-LLVKDONJSA-N -1 1 387.473 1.390 20 0 GDADMM Cc1ncc(C(=O)N[C@H]2CCCN(c3snc(C)c3-c3nn[n-]n3)[C@@H]2C)[nH]1 ZINC001571281354 945803684 /nfs/dbraw/zinc/80/36/84/945803684.db2.gz GWALOBQWWLRQRO-KOLCDFICSA-N -1 1 387.473 1.450 20 0 GDADMM Cc1n[nH]cc1C(=O)N1CC[C@H](Nc2snc(C)c2-c2nn[n-]n2)[C@H](C)C1 ZINC001571282169 945829679 /nfs/dbraw/zinc/82/96/79/945829679.db2.gz SXVMSULCGWPNLG-PELKAZGASA-N -1 1 387.473 1.626 20 0 GDADMM CC(=O)NC(=Cc1cccs1)C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001573452384 945849135 /nfs/dbraw/zinc/84/91/35/945849135.db2.gz DNAMJPQLNFGLFQ-YHYXMXQVSA-N -1 1 375.439 1.178 20 0 GDADMM CC(=O)NC(=Cc1cccs1)C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001573452384 945849143 /nfs/dbraw/zinc/84/91/43/945849143.db2.gz DNAMJPQLNFGLFQ-YHYXMXQVSA-N -1 1 375.439 1.178 20 0 GDADMM C[C@@H]1CN(C(=O)c2cc(Cl)c[nH]2)CC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571283708 945890162 /nfs/dbraw/zinc/89/01/62/945890162.db2.gz HGSUWNAEYGVTQC-MWLCHTKSSA-N -1 1 387.835 1.601 20 0 GDADMM C[C@@H]1CN(C(=O)c2cc(Cl)c[nH]2)CC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571283708 945890170 /nfs/dbraw/zinc/89/01/70/945890170.db2.gz HGSUWNAEYGVTQC-MWLCHTKSSA-N -1 1 387.835 1.601 20 0 GDADMM CC1(C)CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1NC(=O)c1cc(Cl)c[nH]1 ZINC001571285178 945911356 /nfs/dbraw/zinc/91/13/56/945911356.db2.gz ZDEWKNAOWHWSOS-GFCCVEGCSA-N -1 1 387.835 1.283 20 0 GDADMM CC1(C)CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)c1cc(Cl)c[nH]1 ZINC001571285178 945911360 /nfs/dbraw/zinc/91/13/60/945911360.db2.gz ZDEWKNAOWHWSOS-GFCCVEGCSA-N -1 1 387.835 1.283 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCc2ncc(C(C)(C)C)o2)cc1-c1nn[n-]n1 ZINC000821979827 945914565 /nfs/dbraw/zinc/91/45/65/945914565.db2.gz YVUPUMPUAATCRM-UHFFFAOYSA-N -1 1 389.441 1.905 20 0 GDADMM O=C(N[C@H]1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1cc(Cl)c[nH]1 ZINC001571285559 945920022 /nfs/dbraw/zinc/92/00/22/945920022.db2.gz IDVKOAXAHBAHRO-KOLCDFICSA-N -1 1 387.835 1.649 20 0 GDADMM O=C(N[C@H]1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1cc(Cl)c[nH]1 ZINC001571285559 945920031 /nfs/dbraw/zinc/92/00/31/945920031.db2.gz IDVKOAXAHBAHRO-KOLCDFICSA-N -1 1 387.835 1.649 20 0 GDADMM O=C(N[C@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cc(Cl)c[nH]1 ZINC001571285838 945930832 /nfs/dbraw/zinc/93/08/32/945930832.db2.gz PMHWEEXGXQOYCF-MNOVXSKESA-N -1 1 387.835 1.791 20 0 GDADMM O=C(N[C@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cc(Cl)c[nH]1 ZINC001571285838 945930843 /nfs/dbraw/zinc/93/08/43/945930843.db2.gz PMHWEEXGXQOYCF-MNOVXSKESA-N -1 1 387.835 1.791 20 0 GDADMM C[C@@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(F)s1 ZINC001571286678 945954926 /nfs/dbraw/zinc/95/49/26/945954926.db2.gz ONRCLLDQDRYTCV-NXEZZACHSA-N -1 1 388.432 1.384 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(F)s2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571286853 945960857 /nfs/dbraw/zinc/96/08/57/945960857.db2.gz TZWTVBZZZZDCOW-UWVGGRQHSA-N -1 1 388.432 1.678 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(F)s2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571286853 945960863 /nfs/dbraw/zinc/96/08/63/945960863.db2.gz TZWTVBZZZZDCOW-UWVGGRQHSA-N -1 1 388.432 1.678 20 0 GDADMM Cc1nsc(NC[C@@H]2CN(C(=O)c3ncoc3C)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571289672 946015826 /nfs/dbraw/zinc/01/58/26/946015826.db2.gz JROOSEYJKZTKFB-LDYMZIIASA-N -1 1 388.457 1.748 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)CC(C)(C)O)[C@@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001571289835 946019939 /nfs/dbraw/zinc/01/99/39/946019939.db2.gz NORCLRWHONSGME-NWDGAFQWSA-N -1 1 388.476 1.172 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)CC(C)(C)O)[C@@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001571289835 946019948 /nfs/dbraw/zinc/01/99/48/946019948.db2.gz NORCLRWHONSGME-NWDGAFQWSA-N -1 1 388.476 1.172 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cc(F)ccc1Cl ZINC001571290365 946039142 /nfs/dbraw/zinc/03/91/42/946039142.db2.gz CFLWWDDRDXTTFU-AOOOYVTPSA-N -1 1 388.794 1.822 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cc(F)ccc1Cl ZINC001571290365 946039153 /nfs/dbraw/zinc/03/91/53/946039153.db2.gz CFLWWDDRDXTTFU-AOOOYVTPSA-N -1 1 388.794 1.822 20 0 GDADMM C[C@H]1C[C@@H](NC(=O)c2ccoc2Cl)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571290512 946044083 /nfs/dbraw/zinc/04/40/83/946044083.db2.gz HSCDDPNIRWUWTE-UWVGGRQHSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@H]1C[C@@H](NC(=O)c2ccoc2Cl)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571290512 946044097 /nfs/dbraw/zinc/04/40/97/946044097.db2.gz HSCDDPNIRWUWTE-UWVGGRQHSA-N -1 1 388.819 1.690 20 0 GDADMM O=C(c1ccc(Cl)s1)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1 ZINC001571290828 946055948 /nfs/dbraw/zinc/05/59/48/946055948.db2.gz QFYTUUTWHOILFC-IUCAKERBSA-N -1 1 388.844 1.475 20 0 GDADMM O=C(c1ccc(Cl)s1)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1 ZINC001571290828 946055959 /nfs/dbraw/zinc/05/59/59/946055959.db2.gz QFYTUUTWHOILFC-IUCAKERBSA-N -1 1 388.844 1.475 20 0 GDADMM Cc1cccc2c(=O)n(CCC(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])cnc12 ZINC000822332301 946057349 /nfs/dbraw/zinc/05/73/49/946057349.db2.gz NFPCMRDENRZQLM-UHFFFAOYSA-N -1 1 391.391 1.619 20 0 GDADMM O=C(c1ccc(F)cc1Cl)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571290979 946063173 /nfs/dbraw/zinc/06/31/73/946063173.db2.gz WPBUPGJFCTZAGD-JTQLQIEISA-N -1 1 388.794 1.776 20 0 GDADMM O=C(c1ccc(F)cc1Cl)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571290979 946063190 /nfs/dbraw/zinc/06/31/90/946063190.db2.gz WPBUPGJFCTZAGD-JTQLQIEISA-N -1 1 388.794 1.776 20 0 GDADMM Cc1nsc(N(C)C(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c1-c1nnn[n-]1 ZINC000822531285 946116442 /nfs/dbraw/zinc/11/64/42/946116442.db2.gz YCMYCGDHFJCOJR-SECBINFHSA-N -1 1 397.420 1.279 20 0 GDADMM Cc1nsc(N(C)C(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c1-c1nn[n-]n1 ZINC000822531285 946116450 /nfs/dbraw/zinc/11/64/50/946116450.db2.gz YCMYCGDHFJCOJR-SECBINFHSA-N -1 1 397.420 1.279 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC000822613683 946137900 /nfs/dbraw/zinc/13/79/00/946137900.db2.gz FTKDBURYLUYFJO-UHFFFAOYSA-N -1 1 391.436 1.121 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC000822613683 946137906 /nfs/dbraw/zinc/13/79/06/946137906.db2.gz FTKDBURYLUYFJO-UHFFFAOYSA-N -1 1 391.436 1.121 20 0 GDADMM Cc1cc(C(F)F)oc1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571295311 946160103 /nfs/dbraw/zinc/16/01/03/946160103.db2.gz XNMJEKDMVJKKBI-VIFPVBQESA-N -1 1 390.354 1.504 20 0 GDADMM Cc1cc(C(F)F)oc1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571295311 946160111 /nfs/dbraw/zinc/16/01/11/946160111.db2.gz XNMJEKDMVJKKBI-VIFPVBQESA-N -1 1 390.354 1.504 20 0 GDADMM O=C(NC[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cccc2c1CCC2 ZINC001571298000 946203091 /nfs/dbraw/zinc/20/30/91/946203091.db2.gz GROYPGAYZCMKEJ-MQMHXKEQSA-N -1 1 390.451 1.766 20 0 GDADMM O=C(NC[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cccc2c1CCC2 ZINC001571298000 946203099 /nfs/dbraw/zinc/20/30/99/946203099.db2.gz GROYPGAYZCMKEJ-MQMHXKEQSA-N -1 1 390.451 1.766 20 0 GDADMM O=C(NC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccc(C2CC2)cc1 ZINC001571298058 946203462 /nfs/dbraw/zinc/20/34/62/946203462.db2.gz IQTDITOZUPHIOL-CYBMUJFWSA-N -1 1 390.451 1.790 20 0 GDADMM O=C(NC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccc(C2CC2)cc1 ZINC001571298058 946203466 /nfs/dbraw/zinc/20/34/66/946203466.db2.gz IQTDITOZUPHIOL-CYBMUJFWSA-N -1 1 390.451 1.790 20 0 GDADMM C[C@@H]1CN(C(=O)C2Cc3ccccc3C2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571298175 946208770 /nfs/dbraw/zinc/20/87/70/946208770.db2.gz BHFPFROURKDOQU-SJKOYZFVSA-N -1 1 390.451 1.331 20 0 GDADMM C[C@@H]1CN(C(=O)C2Cc3ccccc3C2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571298175 946208777 /nfs/dbraw/zinc/20/87/77/946208777.db2.gz BHFPFROURKDOQU-SJKOYZFVSA-N -1 1 390.451 1.331 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3CN(C(=O)C4C=CC=CC=C4)C[C@@H]3C2)n1 ZINC001571298378 946213057 /nfs/dbraw/zinc/21/30/57/946213057.db2.gz FWSZLPQYEAQMGK-IYBDPMFKSA-N -1 1 390.451 1.158 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3CN(C(=O)C4C=CC=CC=C4)C[C@@H]3C2)n1 ZINC001571298378 946213068 /nfs/dbraw/zinc/21/30/68/946213068.db2.gz FWSZLPQYEAQMGK-IYBDPMFKSA-N -1 1 390.451 1.158 20 0 GDADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001571298372 946213790 /nfs/dbraw/zinc/21/37/90/946213790.db2.gz FRCXOTUJYJQFDL-HRCADAONSA-N -1 1 390.451 1.498 20 0 GDADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001571298372 946213801 /nfs/dbraw/zinc/21/38/01/946213801.db2.gz FRCXOTUJYJQFDL-HRCADAONSA-N -1 1 390.451 1.498 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@@H](C)C2)cc1 ZINC001571298708 946226636 /nfs/dbraw/zinc/22/66/36/946226636.db2.gz KHWSWPNOGDQOSQ-XJKSGUPXSA-N -1 1 390.451 1.684 20 0 GDADMM O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822964246 946236274 /nfs/dbraw/zinc/23/62/74/946236274.db2.gz GRXXUSZSURQEIW-RYUDHWBXSA-N -1 1 384.396 1.076 20 0 GDADMM O=C(c1sccc1Cl)N1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571299367 946249255 /nfs/dbraw/zinc/24/92/55/946249255.db2.gz LRKGVAVEMKFBNM-SECBINFHSA-N -1 1 390.860 1.946 20 0 GDADMM O=C(c1sccc1Cl)N1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571299367 946249258 /nfs/dbraw/zinc/24/92/58/946249258.db2.gz LRKGVAVEMKFBNM-SECBINFHSA-N -1 1 390.860 1.946 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@]3(CCN(c4ccc(-c5nnn[n-]5)nn4)C3)C2)cc1 ZINC001571299458 946250342 /nfs/dbraw/zinc/25/03/42/946250342.db2.gz RUXMDDAZKDRHOU-HXUWFJFHSA-N -1 1 390.451 1.708 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@]3(CCN(c4ccc(-c5nn[n-]n5)nn4)C3)C2)cc1 ZINC001571299458 946250354 /nfs/dbraw/zinc/25/03/54/946250354.db2.gz RUXMDDAZKDRHOU-HXUWFJFHSA-N -1 1 390.451 1.708 20 0 GDADMM C[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc32)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571299543 946253583 /nfs/dbraw/zinc/25/35/83/946253583.db2.gz TYDDJAVEGHTERE-XNRPHZJLSA-N -1 1 390.451 1.503 20 0 GDADMM C[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc32)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571299543 946253596 /nfs/dbraw/zinc/25/35/96/946253596.db2.gz TYDDJAVEGHTERE-XNRPHZJLSA-N -1 1 390.451 1.503 20 0 GDADMM O=C(NC[C@H]1CCCN1c1nc(-c2nn[n-]n2)c(Cl)s1)c1cccnc1 ZINC001571300214 946274533 /nfs/dbraw/zinc/27/45/33/946274533.db2.gz XBTOJAFGCZFFRB-SNVBAGLBSA-N -1 1 390.860 1.770 20 0 GDADMM O=C(Cn1c(=O)c(-c2nn[n-]n2)ccc1C(F)(F)F)c1ccc2c(c1)CCO2 ZINC001571301929 946288319 /nfs/dbraw/zinc/28/83/19/946288319.db2.gz IBWMJYKZCUPTMF-UHFFFAOYSA-N -1 1 391.309 1.865 20 0 GDADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CC[C@@]2(C1)c1ccccc1NC2=O ZINC001571302511 946306220 /nfs/dbraw/zinc/30/62/20/946306220.db2.gz ZRPIOMGBWVVWKQ-LJQANCHMSA-N -1 1 391.391 1.012 20 0 GDADMM O=C(N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C1(c2cccnc2)CC1 ZINC001571302682 946311141 /nfs/dbraw/zinc/31/11/41/946311141.db2.gz FRFTYFMKGRZGEA-CYBMUJFWSA-N -1 1 391.439 1.044 20 0 GDADMM O=C(N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C1(c2cccnc2)CC1 ZINC001571302682 946311149 /nfs/dbraw/zinc/31/11/49/946311149.db2.gz FRFTYFMKGRZGEA-CYBMUJFWSA-N -1 1 391.439 1.044 20 0 GDADMM O=C([C@@H]1CCCc2cccnc21)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571303649 946341583 /nfs/dbraw/zinc/34/15/83/946341583.db2.gz VBZCBRRDBAHJNV-ZIAGYGMSSA-N -1 1 391.439 1.185 20 0 GDADMM O=C([C@@H]1CCCc2cccnc21)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571303649 946341598 /nfs/dbraw/zinc/34/15/98/946341598.db2.gz VBZCBRRDBAHJNV-ZIAGYGMSSA-N -1 1 391.439 1.185 20 0 GDADMM Cc1nsc(N2CCC[C@@H]2CNC(=O)[C@H]2CCCOCC2)c1-c1nn[n-]n1 ZINC001571305590 946366023 /nfs/dbraw/zinc/36/60/23/946366023.db2.gz GKZUBOPZWSODRP-QWHCGFSZSA-N -1 1 391.501 1.533 20 0 GDADMM CN(c1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)c2ncc(Cl)s2)C1 ZINC001571305549 946366137 /nfs/dbraw/zinc/36/61/37/946366137.db2.gz DZEYZIRRWWBCJU-MRVPVSSYSA-N -1 1 391.848 1.118 20 0 GDADMM Cc1nsc(N2CCOC[C@H]2CNC(=O)c2ccsc2)c1-c1nn[n-]n1 ZINC001571305586 946366743 /nfs/dbraw/zinc/36/67/43/946366743.db2.gz GJFHXXLGYMYGFA-LLVKDONJSA-N -1 1 391.482 1.328 20 0 GDADMM Cc1nsc(N2CCC(C)(NC(=O)[C@H]3C[C@H](C)CO3)CC2)c1-c1nn[n-]n1 ZINC001571305581 946366883 /nfs/dbraw/zinc/36/68/83/946366883.db2.gz GDYMEDBPEUHNGK-CMPLNLGQSA-N -1 1 391.501 1.532 20 0 GDADMM Cc1nsc(NC2CCN(C(=O)[C@@H]3CCCOCC3)CC2)c1-c1nn[n-]n1 ZINC001571305629 946368804 /nfs/dbraw/zinc/36/88/04/946368804.db2.gz HYCJNTKLIVRKGS-GFCCVEGCSA-N -1 1 391.501 1.851 20 0 GDADMM CCOC1CC(C(=O)N(C)[C@@H]2CCN(c3snc(C)c3-c3nn[n-]n3)C2)C1 ZINC001571305596 946370308 /nfs/dbraw/zinc/37/03/08/946370308.db2.gz GWYWOXRKCIPPLU-OTTFEQOBSA-N -1 1 391.501 1.484 20 0 GDADMM COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)NC[C@H](C)N1CCCC1 ZINC000325584377 971228241 /nfs/dbraw/zinc/22/82/41/971228241.db2.gz AVZZJBZSAUKURX-JTQLQIEISA-N -1 1 376.862 1.809 20 0 GDADMM O=C(Cc1ccoc1)N1C[C@@H]2C[C@H]1CN2c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001571306385 946396229 /nfs/dbraw/zinc/39/62/29/946396229.db2.gz UVNDLPLDQHKCED-UWVGGRQHSA-N -1 1 391.844 1.602 20 0 GDADMM O=C(Cc1ccoc1)N1C[C@@H]2C[C@H]1CN2c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001571306385 946396241 /nfs/dbraw/zinc/39/62/41/946396241.db2.gz UVNDLPLDQHKCED-UWVGGRQHSA-N -1 1 391.844 1.602 20 0 GDADMM Cc1nsc(N[C@@H]2CCN(C(=O)CC[C@@H]3CCCCO3)C2)c1-c1nn[n-]n1 ZINC001571306636 946406841 /nfs/dbraw/zinc/40/68/41/946406841.db2.gz YYSKOLAJPUHHOY-OLZOCXBDSA-N -1 1 391.501 1.994 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC2CCC(NC(=O)[C@H]3C[C@@H]3C(F)F)CC2)n1 ZINC001571307229 946420835 /nfs/dbraw/zinc/42/08/35/946420835.db2.gz ADEUCNWYPOGMFF-QQFIATSDSA-N -1 1 392.414 1.706 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC2CCC(NC(=O)[C@H]3C[C@@H]3C(F)F)CC2)n1 ZINC001571307229 946420838 /nfs/dbraw/zinc/42/08/38/946420838.db2.gz ADEUCNWYPOGMFF-QQFIATSDSA-N -1 1 392.414 1.706 20 0 GDADMM O=C([C@H]1CCCC(F)(F)C1)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001571307759 946424974 /nfs/dbraw/zinc/42/49/74/946424974.db2.gz GUOORGRWSFJMMB-NSHDSACASA-N -1 1 392.414 1.885 20 0 GDADMM O=C([C@H]1CCCC(F)(F)C1)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001571307759 946424983 /nfs/dbraw/zinc/42/49/83/946424983.db2.gz GUOORGRWSFJMMB-NSHDSACASA-N -1 1 392.414 1.885 20 0 GDADMM O=C(N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccsc1C(F)F ZINC001571307910 946427298 /nfs/dbraw/zinc/42/72/98/946427298.db2.gz JSBMOCUHYYRRAE-MRVPVSSYSA-N -1 1 392.395 1.665 20 0 GDADMM O=C(N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccsc1C(F)F ZINC001571307910 946427306 /nfs/dbraw/zinc/42/73/06/946427306.db2.gz JSBMOCUHYYRRAE-MRVPVSSYSA-N -1 1 392.395 1.665 20 0 GDADMM Cc1nsc(N[C@H]2C[C@@H](NC(=O)c3c(F)cncc3F)C2)c1-c1nn[n-]n1 ZINC001571308060 946429608 /nfs/dbraw/zinc/42/96/08/946429608.db2.gz KYYYFIFCTOMKNU-OCAPTIKFSA-N -1 1 392.395 1.678 20 0 GDADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)C[C@@H]2CCC(F)(F)C2)C1 ZINC001571308819 946438053 /nfs/dbraw/zinc/43/80/53/946438053.db2.gz TUKHHFVCFYQVRF-RYUDHWBXSA-N -1 1 392.414 1.519 20 0 GDADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)C[C@@H]2CCC(F)(F)C2)C1 ZINC001571308819 946438060 /nfs/dbraw/zinc/43/80/60/946438060.db2.gz TUKHHFVCFYQVRF-RYUDHWBXSA-N -1 1 392.414 1.519 20 0 GDADMM CCc1nc(NC[C@]2(C)CCN(C(=O)[C@@H]3CC3(F)F)C2)cc(-c2nnn[n-]2)n1 ZINC001571309361 946442214 /nfs/dbraw/zinc/44/22/14/946442214.db2.gz YHFKQBOBAVGRCH-QFYYESIMSA-N -1 1 392.414 1.525 20 0 GDADMM CCc1nc(NC[C@]2(C)CCN(C(=O)[C@@H]3CC3(F)F)C2)cc(-c2nn[n-]n2)n1 ZINC001571309361 946442221 /nfs/dbraw/zinc/44/22/21/946442221.db2.gz YHFKQBOBAVGRCH-QFYYESIMSA-N -1 1 392.414 1.525 20 0 GDADMM Cc1c(-c2nnn[n-]2)c(NC(=O)COc2ccccc2Br)nn1C ZINC001571309381 946442240 /nfs/dbraw/zinc/44/22/40/946442240.db2.gz YQXWIPNLQIITRE-UHFFFAOYSA-N -1 1 392.217 1.689 20 0 GDADMM Cc1c(-c2nn[n-]n2)c(NC(=O)COc2ccccc2Br)nn1C ZINC001571309381 946442244 /nfs/dbraw/zinc/44/22/44/946442244.db2.gz YQXWIPNLQIITRE-UHFFFAOYSA-N -1 1 392.217 1.689 20 0 GDADMM O=C(C[C@@H]1CCC(F)(F)C1)N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571309447 946445422 /nfs/dbraw/zinc/44/54/22/946445422.db2.gz ADSHHNNMXSCELZ-SRVKXCTJSA-N -1 1 392.414 1.789 20 0 GDADMM O=C(C[C@@H]1CCC(F)(F)C1)N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571309447 946445431 /nfs/dbraw/zinc/44/54/31/946445431.db2.gz ADSHHNNMXSCELZ-SRVKXCTJSA-N -1 1 392.414 1.789 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)c3cccc4c3OCC4)C2)n1 ZINC001571310169 946463120 /nfs/dbraw/zinc/46/31/20/946463120.db2.gz XNJWRQTZXHHWOQ-CYBMUJFWSA-N -1 1 392.423 1.227 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)c3cccc4c3OCC4)C2)n1 ZINC001571310169 946463127 /nfs/dbraw/zinc/46/31/27/946463127.db2.gz XNJWRQTZXHHWOQ-CYBMUJFWSA-N -1 1 392.423 1.227 20 0 GDADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)[C@@H]1CCCN(C(=O)C2C=CC=CC=C2)C1 ZINC001571311532 946490246 /nfs/dbraw/zinc/49/02/46/946490246.db2.gz ZOUMRDPNARPQTF-GOEBONIOSA-N -1 1 392.467 1.994 20 0 GDADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)C2C=CC=CC=C2)C1 ZINC001571311532 946490251 /nfs/dbraw/zinc/49/02/51/946490251.db2.gz ZOUMRDPNARPQTF-GOEBONIOSA-N -1 1 392.467 1.994 20 0 GDADMM O=C(c1cccc2c1CCOC2)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571312492 946494216 /nfs/dbraw/zinc/49/42/16/946494216.db2.gz FULQZMZTFMFKLT-ZDUSSCGKSA-N -1 1 392.423 1.056 20 0 GDADMM O=C(c1cccc2c1CCOC2)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571312492 946494225 /nfs/dbraw/zinc/49/42/25/946494225.db2.gz FULQZMZTFMFKLT-ZDUSSCGKSA-N -1 1 392.423 1.056 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccnc(C2CC2)n1 ZINC001571313154 946513315 /nfs/dbraw/zinc/51/33/15/946513315.db2.gz OYISDQUFMHBHBQ-CMPLNLGQSA-N -1 1 392.427 1.039 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccnc(C2CC2)n1 ZINC001571313154 946513322 /nfs/dbraw/zinc/51/33/22/946513322.db2.gz OYISDQUFMHBHBQ-CMPLNLGQSA-N -1 1 392.427 1.039 20 0 GDADMM O=C(c1ccoc1C1CC1)N1CC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571313330 946517970 /nfs/dbraw/zinc/51/79/70/946517970.db2.gz PXNSIAQELQCHTB-GXTWGEPZSA-N -1 1 392.423 1.478 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CN(C)c2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001571313343 946518263 /nfs/dbraw/zinc/51/82/63/946518263.db2.gz NBGQOZPCPNLNTH-GJZGRUSLSA-N -1 1 392.467 1.745 20 0 GDADMM C[C@@H]1CCN(C(=O)Cc2ccccc2)[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571313479 946522468 /nfs/dbraw/zinc/52/24/68/946522468.db2.gz PTRNWYMZHDBHIY-ZBFHGGJFSA-N -1 1 392.467 1.938 20 0 GDADMM C[C@@H]1CCN(C(=O)Cc2ccccc2)[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571313479 946522475 /nfs/dbraw/zinc/52/24/75/946522475.db2.gz PTRNWYMZHDBHIY-ZBFHGGJFSA-N -1 1 392.467 1.938 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)c(C)c1 ZINC001571314991 946547517 /nfs/dbraw/zinc/54/75/17/946547517.db2.gz GAWDBNZIOOXIGV-GOEBONIOSA-N -1 1 392.467 1.706 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@H](N(C)c3nc(C)cc(-c4nnn[n-]4)n3)C2)cc1 ZINC001571315403 946553536 /nfs/dbraw/zinc/55/35/36/946553536.db2.gz JNQWMPSJVNWZRQ-INIZCTEOSA-N -1 1 392.467 1.553 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@H](N(C)c3nc(C)cc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571315403 946553544 /nfs/dbraw/zinc/55/35/44/946553544.db2.gz JNQWMPSJVNWZRQ-INIZCTEOSA-N -1 1 392.467 1.553 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)CCc3ccccc3C)C2)n1 ZINC001571315415 946553750 /nfs/dbraw/zinc/55/37/50/946553750.db2.gz JSALCGGWYBCOCI-INIZCTEOSA-N -1 1 392.467 1.919 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)CCc3ccccc3C)C2)n1 ZINC001571315415 946553760 /nfs/dbraw/zinc/55/37/60/946553760.db2.gz JSALCGGWYBCOCI-INIZCTEOSA-N -1 1 392.467 1.919 20 0 GDADMM CC(=O)c1cccc(OCC(=O)Nc2ncc3c(c2-c2nn[n-]n2)COCC3)c1 ZINC001573555781 946917296 /nfs/dbraw/zinc/91/72/96/946917296.db2.gz PZTVPYUKGXWIHO-UHFFFAOYSA-N -1 1 394.391 1.555 20 0 GDADMM COc1cc(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])cc(OC)c1Br ZINC000326500573 971299262 /nfs/dbraw/zinc/29/92/62/971299262.db2.gz PKVHMFOUIOYUIA-SNVBAGLBSA-N -1 1 398.213 1.615 20 0 GDADMM CCCc1c(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cnn1-c1ccccc1 ZINC000825348174 947161726 /nfs/dbraw/zinc/16/17/26/947161726.db2.gz DUSTZJCLTZFVOM-UHFFFAOYSA-N -1 1 378.400 1.235 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)N[C@@H](C)CCCC(C)C)c1-c1nn[n-]n1 ZINC000825565880 947227970 /nfs/dbraw/zinc/22/79/70/947227970.db2.gz ZJXOZIPBPVUXAP-LBPRGKRZSA-N -1 1 377.449 1.571 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)Nc2ccc(F)c(Cl)c2)c1-c1nn[n-]n1 ZINC000825570602 947230826 /nfs/dbraw/zinc/23/08/26/947230826.db2.gz LLAJMCGKKRLBIL-UHFFFAOYSA-N -1 1 393.766 1.671 20 0 GDADMM C=C/C(C)=C\CC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCCCC1 ZINC001573317325 947296143 /nfs/dbraw/zinc/29/61/43/947296143.db2.gz NQDJWKHYFNFEEY-AUWJEWJLSA-N -1 1 382.472 1.832 20 0 GDADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1cncc(-c2nnn[n-]2)n1)n1cccc1 ZINC001573591441 947309458 /nfs/dbraw/zinc/30/94/58/947309458.db2.gz BPWRRMZKTUIDJU-CYBMUJFWSA-N -1 1 383.460 1.616 20 0 GDADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1cncc(-c2nn[n-]n2)n1)n1cccc1 ZINC001573591441 947309472 /nfs/dbraw/zinc/30/94/72/947309472.db2.gz BPWRRMZKTUIDJU-CYBMUJFWSA-N -1 1 383.460 1.616 20 0 GDADMM C[C@H](C(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1)c1cnn(C)c1 ZINC001573591814 947321127 /nfs/dbraw/zinc/32/11/27/947321127.db2.gz FZRLXWUDWGXTJV-NSHDSACASA-N -1 1 386.485 1.108 20 0 GDADMM CCc1nn(CCCN(CC)CC(F)(F)F)c(=O)c(-c2nn[n-]n2)c1CC ZINC000825763549 947323751 /nfs/dbraw/zinc/32/37/51/947323751.db2.gz ZNCGACWSHIJGRV-UHFFFAOYSA-N -1 1 387.410 1.823 20 0 GDADMM C[C@@H](C(=O)N(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)C(F)(F)F ZINC001573592148 947330151 /nfs/dbraw/zinc/33/01/51/947330151.db2.gz ANUMUGUOGKABPH-GZMMTYOYSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@@H](C(=O)N(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)C(F)(F)F ZINC001573592148 947330163 /nfs/dbraw/zinc/33/01/63/947330163.db2.gz ANUMUGUOGKABPH-GZMMTYOYSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1ccnc(-c2nn[n-]n2)n1)c1ccco1 ZINC001573593379 947367124 /nfs/dbraw/zinc/36/71/24/947367124.db2.gz SIRSLMZRGNRLOM-GFCCVEGCSA-N -1 1 384.444 1.372 20 0 GDADMM C[C@@H](C(=O)N(C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C(F)(F)F ZINC001573594393 947395237 /nfs/dbraw/zinc/39/52/37/947395237.db2.gz YOCSJFKAJZZRES-VIFPVBQESA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H](C(=O)N(C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C(F)(F)F ZINC001573594393 947395251 /nfs/dbraw/zinc/39/52/51/947395251.db2.gz YOCSJFKAJZZRES-VIFPVBQESA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H](C(=O)N(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)n1cccc1 ZINC001573595284 947418199 /nfs/dbraw/zinc/41/81/99/947418199.db2.gz XEYVNUHKTVLSDO-SWLSCSKDSA-N -1 1 381.444 1.368 20 0 GDADMM C[C@@H](C(=O)N(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)n1cccc1 ZINC001573595284 947418208 /nfs/dbraw/zinc/41/82/08/947418208.db2.gz XEYVNUHKTVLSDO-SWLSCSKDSA-N -1 1 381.444 1.368 20 0 GDADMM COCC[C@@H](Cc1ccco1)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826154029 947485238 /nfs/dbraw/zinc/48/52/38/947485238.db2.gz GMCWHENSODAUPG-LBPRGKRZSA-N -1 1 395.416 1.525 20 0 GDADMM C[C@@H](C(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1)c1c(F)cccc1F ZINC001573603814 947500135 /nfs/dbraw/zinc/50/01/35/947500135.db2.gz KMLAQQPFTFWVQK-SNVBAGLBSA-N -1 1 388.382 1.609 20 0 GDADMM C[C@@H](C(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1)c1c(F)cccc1F ZINC001573603814 947500144 /nfs/dbraw/zinc/50/01/44/947500144.db2.gz KMLAQQPFTFWVQK-SNVBAGLBSA-N -1 1 388.382 1.609 20 0 GDADMM C[C@H](C(=O)N(C)CCNc1ccnc(-c2nn[n-]n2)n1)c1ccc(Cl)cc1 ZINC001573604208 947506104 /nfs/dbraw/zinc/50/61/04/947506104.db2.gz MLKBXQNCLOOFTM-NSHDSACASA-N -1 1 386.847 1.406 20 0 GDADMM CC(C)N(CCN(C)c1ccc(-c2nnn[n-]2)nn1)C(=O)[C@@H](C)[C@H]1CCCO1 ZINC001573604717 947515825 /nfs/dbraw/zinc/51/58/25/947515825.db2.gz QHHJDGUMNIWDBU-DZGCQCFKSA-N -1 1 388.476 1.145 20 0 GDADMM CC(C)N(CCN(C)c1ccc(-c2nn[n-]n2)nn1)C(=O)[C@@H](C)[C@H]1CCCO1 ZINC001573604717 947515830 /nfs/dbraw/zinc/51/58/30/947515830.db2.gz QHHJDGUMNIWDBU-DZGCQCFKSA-N -1 1 388.476 1.145 20 0 GDADMM C[C@@H](C(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C(C)(C)C1)n1cccc1 ZINC001573613789 947571772 /nfs/dbraw/zinc/57/17/72/947571772.db2.gz IWBUHLOISNHJPO-JSGCOSHPSA-N -1 1 381.444 1.368 20 0 GDADMM C[C@@H](C(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C(C)(C)C1)n1cccc1 ZINC001573613789 947571782 /nfs/dbraw/zinc/57/17/82/947571782.db2.gz IWBUHLOISNHJPO-JSGCOSHPSA-N -1 1 381.444 1.368 20 0 GDADMM C[C@H](C(=O)N1CC[C@](C)(CNc2ccc(-c3nnn[n-]3)nn2)C1)C(C)(F)F ZINC001573614052 947575313 /nfs/dbraw/zinc/57/53/13/947575313.db2.gz KLUWFIZSDTVKNV-MEBBXXQBSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H](C(=O)N1CC[C@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C1)C(C)(F)F ZINC001573614052 947575320 /nfs/dbraw/zinc/57/53/20/947575320.db2.gz KLUWFIZSDTVKNV-MEBBXXQBSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H](C(=O)N1CC[C@@](C)(CNc2ccc(-c3nnn[n-]3)nn2)C1)C(C)(F)F ZINC001573614047 947575363 /nfs/dbraw/zinc/57/53/63/947575363.db2.gz KLUWFIZSDTVKNV-BMIGLBTASA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H](C(=O)N1CC[C@@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C1)C(C)(F)F ZINC001573614047 947575378 /nfs/dbraw/zinc/57/53/78/947575378.db2.gz KLUWFIZSDTVKNV-BMIGLBTASA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H](C(=O)N1CC[C@](C)(CNc2nccnc2-c2nnn[n-]2)C1)C(C)(F)F ZINC001573614406 947582592 /nfs/dbraw/zinc/58/25/92/947582592.db2.gz DXEJOSQDVGXGHP-ZUZCIYMTSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H](C(=O)N1CC[C@](C)(CNc2nccnc2-c2nn[n-]n2)C1)C(C)(F)F ZINC001573614406 947582598 /nfs/dbraw/zinc/58/25/98/947582598.db2.gz DXEJOSQDVGXGHP-ZUZCIYMTSA-N -1 1 380.403 1.599 20 0 GDADMM COc1ccc(C[C@H](C)CN(C)C(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000826191870 947587323 /nfs/dbraw/zinc/58/73/23/947587323.db2.gz SDAIIWUPOWCEPY-LBPRGKRZSA-N -1 1 384.444 1.951 20 0 GDADMM COc1ccc(C[C@H](C)CN(C)C(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000826191870 947587331 /nfs/dbraw/zinc/58/73/31/947587331.db2.gz SDAIIWUPOWCEPY-LBPRGKRZSA-N -1 1 384.444 1.951 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)c1cccnc1 ZINC001573614526 947587494 /nfs/dbraw/zinc/58/74/94/947587494.db2.gz MSRFJOPRAYCJOH-AEGPPILISA-N -1 1 391.439 1.035 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)c1cccnc1 ZINC001573614526 947587505 /nfs/dbraw/zinc/58/75/05/947587505.db2.gz MSRFJOPRAYCJOH-AEGPPILISA-N -1 1 391.439 1.035 20 0 GDADMM C[C@H](C(=O)N1C[C@H](Nc2nccnc2-c2nnn[n-]2)C(C)(C)C1)C(F)(F)F ZINC001573615084 947598404 /nfs/dbraw/zinc/59/84/04/947598404.db2.gz QMLCPCWWIQMPAD-BDAKNGLRSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@H](C(=O)N1C[C@H](Nc2nccnc2-c2nn[n-]n2)C(C)(C)C1)C(F)(F)F ZINC001573615084 947598413 /nfs/dbraw/zinc/59/84/13/947598413.db2.gz QMLCPCWWIQMPAD-BDAKNGLRSA-N -1 1 384.366 1.504 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@H](CCNc3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573350674 947600885 /nfs/dbraw/zinc/60/08/85/947600885.db2.gz DBKLZFXVQYGIEY-HNNXBMFYSA-N -1 1 390.451 1.686 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1)C(C)(F)F ZINC001573615199 947602073 /nfs/dbraw/zinc/60/20/73/947602073.db2.gz IYSPHXJRTLOYPZ-QWRGUYRKSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573615199 947602080 /nfs/dbraw/zinc/60/20/80/947602080.db2.gz IYSPHXJRTLOYPZ-QWRGUYRKSA-N -1 1 380.403 1.599 20 0 GDADMM COc1ccc2[nH]cc(CCNC(=O)Cc3noc(C)c3-c3nnn[n-]3)c2c1 ZINC000826212355 947621178 /nfs/dbraw/zinc/62/11/78/947621178.db2.gz NZIPIFJCFNQKFB-UHFFFAOYSA-N -1 1 381.396 1.554 20 0 GDADMM COc1ccc2[nH]cc(CCNC(=O)Cc3noc(C)c3-c3nn[n-]n3)c2c1 ZINC000826212355 947621185 /nfs/dbraw/zinc/62/11/85/947621185.db2.gz NZIPIFJCFNQKFB-UHFFFAOYSA-N -1 1 381.396 1.554 20 0 GDADMM C=Cc1ccc(C(=O)N[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CC2(C)C)cc1 ZINC001573356200 947648289 /nfs/dbraw/zinc/64/82/89/947648289.db2.gz VKSIQTRKMRIGBQ-INIZCTEOSA-N -1 1 390.451 1.945 20 0 GDADMM C=Cc1ccc(C(=O)N[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CC2(C)C)cc1 ZINC001573356200 947648294 /nfs/dbraw/zinc/64/82/94/947648294.db2.gz VKSIQTRKMRIGBQ-INIZCTEOSA-N -1 1 390.451 1.945 20 0 GDADMM C[C@@H](C(=O)N1CCC(N(C)c2cncc(-c3nnn[n-]3)n2)CC1)C1CCCC1 ZINC001573618418 947650496 /nfs/dbraw/zinc/65/04/96/947650496.db2.gz QUYHNZWNVXYQHW-CYBMUJFWSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](C(=O)N1CCC(N(C)c2cncc(-c3nn[n-]n3)n2)CC1)C1CCCC1 ZINC001573618418 947650501 /nfs/dbraw/zinc/65/05/01/947650501.db2.gz QUYHNZWNVXYQHW-CYBMUJFWSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](C(=O)N1CCC(N(C)c2cnc(-c3nnn[n-]3)cn2)CC1)n1cccc1 ZINC001573619693 947669385 /nfs/dbraw/zinc/66/93/85/947669385.db2.gz XEWZVCHWOBIXDF-ZDUSSCGKSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H](C(=O)N1CCC(N(C)c2cnc(-c3nn[n-]n3)cn2)CC1)n1cccc1 ZINC001573619693 947669391 /nfs/dbraw/zinc/66/93/91/947669391.db2.gz XEWZVCHWOBIXDF-ZDUSSCGKSA-N -1 1 381.444 1.147 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@H]2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)cc1 ZINC001573359672 947687010 /nfs/dbraw/zinc/68/70/10/947687010.db2.gz XGZGSKNVHDGAJU-OTVXOJSOSA-N -1 1 376.424 1.920 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@H]2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)cc1 ZINC001573359672 947687013 /nfs/dbraw/zinc/68/70/13/947687013.db2.gz XGZGSKNVHDGAJU-OTVXOJSOSA-N -1 1 376.424 1.920 20 0 GDADMM C[C@@H](C(=O)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1)c1cccnc1 ZINC001573627110 947718025 /nfs/dbraw/zinc/71/80/25/947718025.db2.gz YTZZPHBMHFIYNL-GFCCVEGCSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@@H](C(=O)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1)c1cccnc1 ZINC001573627110 947718037 /nfs/dbraw/zinc/71/80/37/947718037.db2.gz YTZZPHBMHFIYNL-GFCCVEGCSA-N -1 1 379.428 1.258 20 0 GDADMM CC(=O)[C@H]([N-]S(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1)c1ccccc1F ZINC001573364502 947721026 /nfs/dbraw/zinc/72/10/26/947721026.db2.gz HFJBJWYHHVNATK-INIZCTEOSA-N -1 1 389.412 1.756 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573627727 947732389 /nfs/dbraw/zinc/73/23/89/947732389.db2.gz FRYVVLQQJABLRR-ZFWWWQNUSA-N -1 1 384.488 1.698 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](c2c[nH]c3ncccc23)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001573628045 947742630 /nfs/dbraw/zinc/74/26/30/947742630.db2.gz HRANHNIRNWCWKY-NEPJUHHUSA-N -1 1 392.427 1.302 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001573628151 947748882 /nfs/dbraw/zinc/74/88/82/947748882.db2.gz FPYHGVDVLRUFPV-ZIAGYGMSSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001573628151 947748892 /nfs/dbraw/zinc/74/88/92/947748892.db2.gz FPYHGVDVLRUFPV-ZIAGYGMSSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1)c1ccsc1 ZINC001573628503 947757451 /nfs/dbraw/zinc/75/74/51/947757451.db2.gz MLINDNFFHKBLAL-DGCLKSJQSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1)c1ccsc1 ZINC001573628503 947757457 /nfs/dbraw/zinc/75/74/57/947757457.db2.gz MLINDNFFHKBLAL-DGCLKSJQSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@H](C(=O)N1CCC2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC1)C1CC1 ZINC001573628602 947758849 /nfs/dbraw/zinc/75/88/49/947758849.db2.gz IZPBLJQYHYSNQR-ZDUSSCGKSA-N -1 1 382.472 1.522 20 0 GDADMM CC(=O)CCCC(=O)N1C[C@H](Nc2snc(C)c2-c2nn[n-]n2)C[C@H]1C ZINC001573367429 947759119 /nfs/dbraw/zinc/75/91/19/947759119.db2.gz CZYBWCPCWZUKEL-BXKDBHETSA-N -1 1 377.474 1.792 20 0 GDADMM Cc1cc(C)n([C@H](C)CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)n1 ZINC000826265425 947765716 /nfs/dbraw/zinc/76/57/16/947765716.db2.gz YPJCAFQWKAFJBW-GFCCVEGCSA-N -1 1 386.464 1.028 20 0 GDADMM Cc1cc(C)n([C@H](C)CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)n1 ZINC000826265425 947765724 /nfs/dbraw/zinc/76/57/24/947765724.db2.gz YPJCAFQWKAFJBW-GFCCVEGCSA-N -1 1 386.464 1.028 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C12CCC2 ZINC001573373140 947788241 /nfs/dbraw/zinc/78/82/41/947788241.db2.gz BBJWBNWBMYCGKS-UONOGXRCSA-N -1 1 384.444 1.255 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C12CCC2 ZINC001573373140 947788247 /nfs/dbraw/zinc/78/82/47/947788247.db2.gz BBJWBNWBMYCGKS-UONOGXRCSA-N -1 1 384.444 1.255 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001573630761 947794793 /nfs/dbraw/zinc/79/47/93/947794793.db2.gz RXVDKYKROBSGGI-ZIAGYGMSSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001573630761 947794802 /nfs/dbraw/zinc/79/48/02/947794802.db2.gz RXVDKYKROBSGGI-ZIAGYGMSSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@H](C(=O)N1CC[C@]2(C1)CCCN(c1ccnc(-c3nn[n-]n3)n1)C2)C1CC1 ZINC001573630647 947795073 /nfs/dbraw/zinc/79/50/73/947795073.db2.gz RJYNIPPPOUWGBA-ORAYPTAESA-N -1 1 382.472 1.522 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@@H]1[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001573373745 947798781 /nfs/dbraw/zinc/79/87/81/947798781.db2.gz LCOQDLBDLAZYIN-UKRRQHHQSA-N -1 1 386.460 1.598 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001573631336 947798756 /nfs/dbraw/zinc/79/87/56/947798756.db2.gz UQZQNWPVQIGYNB-OLZOCXBDSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001573631336 947798767 /nfs/dbraw/zinc/79/87/67/947798767.db2.gz UQZQNWPVQIGYNB-OLZOCXBDSA-N -1 1 382.428 1.481 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@@H]1[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001573373745 947798789 /nfs/dbraw/zinc/79/87/89/947798789.db2.gz LCOQDLBDLAZYIN-UKRRQHHQSA-N -1 1 386.460 1.598 20 0 GDADMM CC(=O)CCCC(=O)N[C@@]12CCC[C@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001573374120 947804872 /nfs/dbraw/zinc/80/48/72/947804872.db2.gz HRPHOVZQXIPPPL-RDTXWAMCSA-N -1 1 384.444 1.034 20 0 GDADMM CC(=O)CCCC(=O)N[C@@]12CCC[C@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001573374120 947804884 /nfs/dbraw/zinc/80/48/84/947804884.db2.gz HRPHOVZQXIPPPL-RDTXWAMCSA-N -1 1 384.444 1.034 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001573632004 947808551 /nfs/dbraw/zinc/80/85/51/947808551.db2.gz XWMOFFHVIIMZMU-QWHCGFSZSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001573632004 947808567 /nfs/dbraw/zinc/80/85/67/947808567.db2.gz XWMOFFHVIIMZMU-QWHCGFSZSA-N -1 1 382.428 1.481 20 0 GDADMM Cc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cc1O ZINC000826282051 947810247 /nfs/dbraw/zinc/81/02/47/947810247.db2.gz VXFIAQLPIKDNJC-LBPRGKRZSA-N -1 1 380.412 1.022 20 0 GDADMM Cc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cc1O ZINC000826282051 947810255 /nfs/dbraw/zinc/81/02/55/947810255.db2.gz VXFIAQLPIKDNJC-LBPRGKRZSA-N -1 1 380.412 1.022 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CC[C@@H](C)N(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573375069 947815391 /nfs/dbraw/zinc/81/53/91/947815391.db2.gz LZLMXAKDODHKFV-MFKMUULPSA-N -1 1 391.501 1.864 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@@H](C)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001573375222 947819309 /nfs/dbraw/zinc/81/93/09/947819309.db2.gz RRTVHXQNQIBCFP-IUODEOHRSA-N -1 1 386.460 1.455 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@@H](C)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001573375222 947819316 /nfs/dbraw/zinc/81/93/16/947819316.db2.gz RRTVHXQNQIBCFP-IUODEOHRSA-N -1 1 386.460 1.455 20 0 GDADMM C[C@H](C(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)c1cccs1 ZINC001573637590 947819985 /nfs/dbraw/zinc/81/99/85/947819985.db2.gz JSXPYRXCTGEEQS-LBPRGKRZSA-N -1 1 384.469 1.561 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CC[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573376511 947839068 /nfs/dbraw/zinc/83/90/68/947839068.db2.gz WFJPAORYYZXTIE-KGLIPLIRSA-N -1 1 386.460 1.421 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CC[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573376511 947839072 /nfs/dbraw/zinc/83/90/72/947839072.db2.gz WFJPAORYYZXTIE-KGLIPLIRSA-N -1 1 386.460 1.421 20 0 GDADMM C[C@H](C(=O)N1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1)C(C)(F)F ZINC001573641213 947856113 /nfs/dbraw/zinc/85/61/13/947856113.db2.gz LNWRHOGEYPJLGD-SSDOTTSWSA-N -1 1 391.835 1.917 20 0 GDADMM C[C@H](C(=O)N1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1)C(C)(F)F ZINC001573641213 947856123 /nfs/dbraw/zinc/85/61/23/947856123.db2.gz LNWRHOGEYPJLGD-SSDOTTSWSA-N -1 1 391.835 1.917 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1F ZINC001573645949 947870857 /nfs/dbraw/zinc/87/08/57/947870857.db2.gz DYLQCKRRMDLYLA-NEPJUHHUSA-N -1 1 382.403 1.612 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1F ZINC001573645949 947870868 /nfs/dbraw/zinc/87/08/68/947870868.db2.gz DYLQCKRRMDLYLA-NEPJUHHUSA-N -1 1 382.403 1.612 20 0 GDADMM CC(=O)CCCC(=O)NCCC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001573383859 947898057 /nfs/dbraw/zinc/89/80/57/947898057.db2.gz YLPHHKNPQUPEPW-CQSZACIVSA-N -1 1 386.460 1.281 20 0 GDADMM CC(=O)CCCC(=O)NCCC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001573383859 947898066 /nfs/dbraw/zinc/89/80/66/947898066.db2.gz YLPHHKNPQUPEPW-CQSZACIVSA-N -1 1 386.460 1.281 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C(C)(C)C)n1cccn1 ZINC001573652037 947926898 /nfs/dbraw/zinc/92/68/98/947926898.db2.gz AALRDZQMYUTLKB-YPMHNXCESA-N -1 1 384.448 1.057 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C(C)(C)C)n1cccn1 ZINC001573652037 947926903 /nfs/dbraw/zinc/92/69/03/947926903.db2.gz AALRDZQMYUTLKB-YPMHNXCESA-N -1 1 384.448 1.057 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C(C)(C)C)n1cccn1 ZINC001573652035 947928280 /nfs/dbraw/zinc/92/82/80/947928280.db2.gz AALRDZQMYUTLKB-WCQYABFASA-N -1 1 384.448 1.057 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C(C)(C)C)n1cccn1 ZINC001573652035 947928288 /nfs/dbraw/zinc/92/82/88/947928288.db2.gz AALRDZQMYUTLKB-WCQYABFASA-N -1 1 384.448 1.057 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)c1cccs1 ZINC001573652307 947935561 /nfs/dbraw/zinc/93/55/61/947935561.db2.gz CFBLNQWWUCKSMX-PWSUYJOCSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)c1cccs1 ZINC001573652307 947935568 /nfs/dbraw/zinc/93/55/68/947935568.db2.gz CFBLNQWWUCKSMX-PWSUYJOCSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)N[C@](C)(CNc1cncc(-c2nnn[n-]2)n1)C1CC1)c1ccco1 ZINC001573653101 947950792 /nfs/dbraw/zinc/95/07/92/947950792.db2.gz JAXBEFXYXJTYNY-ADLMAVQZSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](C(=O)N[C@](C)(CNc1cncc(-c2nn[n-]n2)n1)C1CC1)c1ccco1 ZINC001573653101 947950796 /nfs/dbraw/zinc/95/07/96/947950796.db2.gz JAXBEFXYXJTYNY-ADLMAVQZSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](C(=O)N[C@](C)(CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)n1cccc1 ZINC001573653678 947959077 /nfs/dbraw/zinc/95/90/77/947959077.db2.gz NHENRQVZUSWEIW-KPZWWZAWSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](C(=O)N[C@](C)(CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)n1cccc1 ZINC001573653678 947959087 /nfs/dbraw/zinc/95/90/87/947959087.db2.gz NHENRQVZUSWEIW-KPZWWZAWSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](C(=O)NC1(CNc2ccc(-c3nnn[n-]3)nn2)CCCC1)C(F)(F)F ZINC001573656866 947994591 /nfs/dbraw/zinc/99/45/91/947994591.db2.gz IZPDSVALQIGNMN-SECBINFHSA-N -1 1 384.366 1.696 20 0 GDADMM C[C@H](C(=O)NC1(CNc2ccc(-c3nn[n-]n3)nn2)CCCC1)C(F)(F)F ZINC001573656866 947994595 /nfs/dbraw/zinc/99/45/95/947994595.db2.gz IZPDSVALQIGNMN-SECBINFHSA-N -1 1 384.366 1.696 20 0 GDADMM C[C@H](C(=O)NC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)c1ccco1 ZINC001573657100 947996847 /nfs/dbraw/zinc/99/68/47/947996847.db2.gz KMHRQNZYFUVRHL-LBPRGKRZSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](C(=O)NC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)c1ccco1 ZINC001573657100 947996852 /nfs/dbraw/zinc/99/68/52/947996852.db2.gz KMHRQNZYFUVRHL-LBPRGKRZSA-N -1 1 382.428 1.529 20 0 GDADMM Cc1onc(CC(=O)N(CCc2ccccc2)[C@H]2CCOC2)c1-c1nnn[n-]1 ZINC000826343808 947996967 /nfs/dbraw/zinc/99/69/67/947996967.db2.gz NTVRGQXHRAZMPR-HNNXBMFYSA-N -1 1 382.424 1.566 20 0 GDADMM Cc1onc(CC(=O)N(CCc2ccccc2)[C@H]2CCOC2)c1-c1nn[n-]n1 ZINC000826343808 947996970 /nfs/dbraw/zinc/99/69/70/947996970.db2.gz NTVRGQXHRAZMPR-HNNXBMFYSA-N -1 1 382.424 1.566 20 0 GDADMM C[C@@H](C(=O)NC1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C(F)(F)F ZINC001573657665 948002384 /nfs/dbraw/zinc/00/23/84/948002384.db2.gz OJKLHXAQXKIANK-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM Cc1onc(CC(=O)NC(C)(C)C(=O)NCC2CCCCC2)c1-c1nnn[n-]1 ZINC000826345306 948020900 /nfs/dbraw/zinc/02/09/00/948020900.db2.gz ILQYNJABKLZAQC-UHFFFAOYSA-N -1 1 389.460 1.297 20 0 GDADMM Cc1onc(CC(=O)NC(C)(C)C(=O)NCC2CCCCC2)c1-c1nn[n-]n1 ZINC000826345306 948020908 /nfs/dbraw/zinc/02/09/08/948020908.db2.gz ILQYNJABKLZAQC-UHFFFAOYSA-N -1 1 389.460 1.297 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3C)c1-c1nnn[n-]1 ZINC000826345561 948026913 /nfs/dbraw/zinc/02/69/13/948026913.db2.gz NTLZIRGFGIKAGV-VIFPVBQESA-N -1 1 381.396 1.102 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3C)c1-c1nn[n-]n1 ZINC000826345561 948026922 /nfs/dbraw/zinc/02/69/22/948026922.db2.gz NTLZIRGFGIKAGV-VIFPVBQESA-N -1 1 381.396 1.102 20 0 GDADMM C[C@H](C(=O)N[C@]12CCC[C@@H]1N(c1nccnc1-c1nnn[n-]1)CC2)C(C)(F)F ZINC001573663183 948033149 /nfs/dbraw/zinc/03/31/49/948033149.db2.gz KCPLMCAIIBAHTQ-RLFDGXBXSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H](C(=O)N[C@]12CCC[C@@H]1N(c1nccnc1-c1nn[n-]n1)CC2)C(C)(F)F ZINC001573663183 948033156 /nfs/dbraw/zinc/03/31/56/948033156.db2.gz KCPLMCAIIBAHTQ-RLFDGXBXSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2)C(C)(F)F ZINC001573664057 948045699 /nfs/dbraw/zinc/04/56/99/948045699.db2.gz RMZUTRPWQCPOKO-ZYHUDNBSSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2)C(C)(F)F ZINC001573664057 948045708 /nfs/dbraw/zinc/04/57/08/948045708.db2.gz RMZUTRPWQCPOKO-ZYHUDNBSSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2)C(C)(C)C ZINC001573664362 948052346 /nfs/dbraw/zinc/05/23/46/948052346.db2.gz UNKAAIVUJGHYLV-OLZOCXBDSA-N -1 1 384.488 1.814 20 0 GDADMM CC(=O)N(C)c1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC001573409219 948071773 /nfs/dbraw/zinc/07/17/73/948071773.db2.gz QRNHMYIZTAHSJU-UHFFFAOYSA-N -1 1 392.466 1.389 20 0 GDADMM CC(=O)N(C)c1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC001573409219 948071781 /nfs/dbraw/zinc/07/17/81/948071781.db2.gz QRNHMYIZTAHSJU-UHFFFAOYSA-N -1 1 392.466 1.389 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1)C(C)(F)F ZINC001573666623 948088662 /nfs/dbraw/zinc/08/86/62/948088662.db2.gz URGDQBGSVULTOQ-WDEREUQCSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1)C(C)(F)F ZINC001573666623 948088671 /nfs/dbraw/zinc/08/86/71/948088671.db2.gz URGDQBGSVULTOQ-WDEREUQCSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)n1cccc1 ZINC001573667069 948095716 /nfs/dbraw/zinc/09/57/16/948095716.db2.gz XLUARLHMNVEQNE-KGLIPLIRSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)n1cccc1 ZINC001573667069 948095729 /nfs/dbraw/zinc/09/57/29/948095729.db2.gz XLUARLHMNVEQNE-KGLIPLIRSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001573667441 948099720 /nfs/dbraw/zinc/09/97/20/948099720.db2.gz ZRPFOPWYSPQJJP-FUDCBSFHSA-N -1 1 384.488 1.955 20 0 GDADMM C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573667441 948099727 /nfs/dbraw/zinc/09/97/27/948099727.db2.gz ZRPFOPWYSPQJJP-FUDCBSFHSA-N -1 1 384.488 1.955 20 0 GDADMM C[C@@H](C(=O)NC1CC2(C1)CC(Nc1nccnc1-c1nnn[n-]1)C2)C(C)(F)F ZINC001573667439 948100424 /nfs/dbraw/zinc/10/04/24/948100424.db2.gz ZPVWNVYCADEHPG-WTKRKHQCSA-N -1 1 392.414 1.787 20 0 GDADMM C[C@@H](C(=O)NC1CC2(C1)CC(Nc1nccnc1-c1nn[n-]n1)C2)C(C)(F)F ZINC001573667439 948100428 /nfs/dbraw/zinc/10/04/28/948100428.db2.gz ZPVWNVYCADEHPG-WTKRKHQCSA-N -1 1 392.414 1.787 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1F ZINC001573674527 948118718 /nfs/dbraw/zinc/11/87/18/948118718.db2.gz NUPIWNXTUVZKHS-NEPJUHHUSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1F ZINC001573674527 948118722 /nfs/dbraw/zinc/11/87/22/948118722.db2.gz NUPIWNXTUVZKHS-NEPJUHHUSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@@H](C(=O)NC[C@H](CO)Nc1nc(-c2nn[n-]n2)c(Cl)s1)C(C)(C)C ZINC001573678576 948153304 /nfs/dbraw/zinc/15/33/04/948153304.db2.gz FHOACOLXWFDDBT-JGVFFNPUSA-N -1 1 387.897 1.548 20 0 GDADMM CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)c(Cl)n3)[C@H]2C1 ZINC001573429392 948170977 /nfs/dbraw/zinc/17/09/77/948170977.db2.gz IAUONRBNIRWGDQ-WCFLWFBJSA-N -1 1 389.847 1.292 20 0 GDADMM C[C@H](C(=O)N[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C)C1CCCC1 ZINC001573680753 948188418 /nfs/dbraw/zinc/18/84/18/948188418.db2.gz RNGOYQCBXDCIIU-WFASDCNBSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)N[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C)C1CCCC1 ZINC001573680753 948188421 /nfs/dbraw/zinc/18/84/21/948188421.db2.gz RNGOYQCBXDCIIU-WFASDCNBSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1cccs1 ZINC001573704566 948376033 /nfs/dbraw/zinc/37/60/33/948376033.db2.gz CCVLZSQZQQBUDR-VXGBXAGGSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1cccs1 ZINC001573704566 948376038 /nfs/dbraw/zinc/37/60/38/948376038.db2.gz CCVLZSQZQQBUDR-VXGBXAGGSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@@H](C(=O)NCC1CCN(c2nccnc2-c2nnn[n-]2)CC1)n1cccc1 ZINC001573708177 948444181 /nfs/dbraw/zinc/44/41/81/948444181.db2.gz SERMMLBBJJLTTM-ZDUSSCGKSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](C(=O)NCC1CCN(c2nccnc2-c2nn[n-]n2)CC1)n1cccc1 ZINC001573708177 948444190 /nfs/dbraw/zinc/44/41/90/948444190.db2.gz SERMMLBBJJLTTM-ZDUSSCGKSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@H](C(=O)NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)c1ccco1 ZINC001573708325 948448203 /nfs/dbraw/zinc/44/82/03/948448203.db2.gz UAZSDQLRIQVXHX-LBPRGKRZSA-N -1 1 382.428 1.386 20 0 GDADMM CN(C)S(=O)(=O)c1ccsc1C(=O)[N-]c1cc(-c2nn[nH]n2)ccc1F ZINC001129727358 948470655 /nfs/dbraw/zinc/47/06/55/948470655.db2.gz FFECCRSTIYSWQU-UHFFFAOYSA-N -1 1 396.429 1.570 20 0 GDADMM C[C@@H](C(=O)NCC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573714756 948477182 /nfs/dbraw/zinc/47/71/82/948477182.db2.gz JSQVMZXYSPAXFW-QWRGUYRKSA-N -1 1 380.403 1.281 20 0 GDADMM C[C@H](C(=O)NCC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573714983 948480600 /nfs/dbraw/zinc/48/06/00/948480600.db2.gz MLDXWGZBXSRVQZ-UONOGXRCSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NCC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccco1 ZINC001573715515 948491417 /nfs/dbraw/zinc/49/14/17/948491417.db2.gz XQWHXPFFUUSZND-STQMWFEESA-N -1 1 382.428 1.386 20 0 GDADMM C[C@H](C(=O)NCC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccco1 ZINC001573715515 948491422 /nfs/dbraw/zinc/49/14/22/948491422.db2.gz XQWHXPFFUUSZND-STQMWFEESA-N -1 1 382.428 1.386 20 0 GDADMM CC(C)[C@@H](CCNC(=O)[C@@H](C)C1CCCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573716530 948498381 /nfs/dbraw/zinc/49/83/81/948498381.db2.gz HHNXBKNATWAIOS-DZGCQCFKSA-N -1 1 386.504 1.848 20 0 GDADMM C[C@H]([C@H](C)C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C(C)(C)C ZINC001573746538 948684085 /nfs/dbraw/zinc/68/40/85/948684085.db2.gz KTOMPIAJQGUHAK-CRWXNKLISA-N -1 1 386.504 1.704 20 0 GDADMM CC(C)[C@@H](F)C(=O)NC[C@H]1CCCCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001574075018 948742033 /nfs/dbraw/zinc/74/20/33/948742033.db2.gz ZLNDTTHWCADIIV-IUODEOHRSA-N -1 1 376.440 1.516 20 0 GDADMM CC(C)[C@@H](F)C(=O)NC[C@H]1CCCCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001574075018 948742039 /nfs/dbraw/zinc/74/20/39/948742039.db2.gz ZLNDTTHWCADIIV-IUODEOHRSA-N -1 1 376.440 1.516 20 0 GDADMM CC(C)c1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nnn[n-]3)cn2)cn1 ZINC001574416156 948745092 /nfs/dbraw/zinc/74/50/92/948745092.db2.gz PRTFDPMFAWFGDO-KBPBESRZSA-N -1 1 391.439 1.278 20 0 GDADMM CC(C)c1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nn[n-]n3)cn2)cn1 ZINC001574416156 948745104 /nfs/dbraw/zinc/74/51/04/948745104.db2.gz PRTFDPMFAWFGDO-KBPBESRZSA-N -1 1 391.439 1.278 20 0 GDADMM C[C@H](CNC(=O)CCc1ccc(F)cc1F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574914455 948748018 /nfs/dbraw/zinc/74/80/18/948748018.db2.gz KAUGEFYIBTZIJG-SNVBAGLBSA-N -1 1 388.382 1.484 20 0 GDADMM C[C@H](CNC(=O)CCc1ccc(F)cc1F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574914455 948748028 /nfs/dbraw/zinc/74/80/28/948748028.db2.gz KAUGEFYIBTZIJG-SNVBAGLBSA-N -1 1 388.382 1.484 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575221813 948751039 /nfs/dbraw/zinc/75/10/39/948751039.db2.gz DGGJBZRMRQQFBX-JTQLQIEISA-N -1 1 378.387 1.177 20 0 GDADMM CC(F)(F)C1(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575221788 948751701 /nfs/dbraw/zinc/75/17/01/948751701.db2.gz CMFHERDUHZJSNC-PHIMTYICSA-N -1 1 390.398 1.272 20 0 GDADMM CC(F)(F)C1(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575221788 948751712 /nfs/dbraw/zinc/75/17/12/948751712.db2.gz CMFHERDUHZJSNC-PHIMTYICSA-N -1 1 390.398 1.272 20 0 GDADMM C[C@@H](CNC(=O)CCc1cc(F)ccc1F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574914804 948755088 /nfs/dbraw/zinc/75/50/88/948755088.db2.gz NFNZVKDQBVGJSA-JTQLQIEISA-N -1 1 388.382 1.484 20 0 GDADMM C[C@@H](CNC(=O)CCc1cc(F)ccc1F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574914804 948755093 /nfs/dbraw/zinc/75/50/93/948755093.db2.gz NFNZVKDQBVGJSA-JTQLQIEISA-N -1 1 388.382 1.484 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccc(C(F)F)o1 ZINC001574678705 948755275 /nfs/dbraw/zinc/75/52/75/948755275.db2.gz IFJBYACGZXOMHO-MRVPVSSYSA-N -1 1 378.343 1.808 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccc(C(F)F)o1 ZINC001574678705 948755285 /nfs/dbraw/zinc/75/52/85/948755285.db2.gz IFJBYACGZXOMHO-MRVPVSSYSA-N -1 1 378.343 1.808 20 0 GDADMM C[C@H](CNC(=O)CCc1ccccc1F)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574914868 948756503 /nfs/dbraw/zinc/75/65/03/948756503.db2.gz OGAYOPHKTCGOPV-GFCCVEGCSA-N -1 1 384.419 1.370 20 0 GDADMM C[C@H](CNC(=O)CCc1ccccc1F)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574914868 948756514 /nfs/dbraw/zinc/75/65/14/948756514.db2.gz OGAYOPHKTCGOPV-GFCCVEGCSA-N -1 1 384.419 1.370 20 0 GDADMM C[C@@H](C(=O)Nc1nc2cc(F)c(Cl)cc2[nH]1)n1cnc(-c2nn[n-]n2)n1 ZINC001573755730 948779125 /nfs/dbraw/zinc/77/91/25/948779125.db2.gz TUQSIRATQDMIRC-YFKPBYRVSA-N -1 1 376.743 1.327 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccnn1C1CCC1 ZINC001574679496 948785415 /nfs/dbraw/zinc/78/54/15/948785415.db2.gz WIIXSCNQVZEPIJ-LLVKDONJSA-N -1 1 382.432 1.199 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccnn1C1CCC1 ZINC001574679496 948785429 /nfs/dbraw/zinc/78/54/29/948785429.db2.gz WIIXSCNQVZEPIJ-LLVKDONJSA-N -1 1 382.432 1.199 20 0 GDADMM C[C@H](CNC(=O)CCc1ccncc1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574916693 948787348 /nfs/dbraw/zinc/78/73/48/948787348.db2.gz HQGRJWSDHOHDJU-SECBINFHSA-N -1 1 392.876 1.921 20 0 GDADMM C[C@H](CNC(=O)CCc1ccncc1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574916693 948787366 /nfs/dbraw/zinc/78/73/66/948787366.db2.gz HQGRJWSDHOHDJU-SECBINFHSA-N -1 1 392.876 1.921 20 0 GDADMM CC(C)c1ccoc1C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1 ZINC001574420846 948805268 /nfs/dbraw/zinc/80/52/68/948805268.db2.gz BQKWCNDCCTYHJS-LBPRGKRZSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1ccoc1C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1 ZINC001574420846 948805287 /nfs/dbraw/zinc/80/52/87/948805287.db2.gz BQKWCNDCCTYHJS-LBPRGKRZSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)[C@H](F)C(=O)N[C@@H](C)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574080834 948806464 /nfs/dbraw/zinc/80/64/64/948806464.db2.gz OHNNDBXBIZEVJI-NHYWBVRUSA-N -1 1 376.440 1.372 20 0 GDADMM CC(C)[C@H](F)C(=O)N[C@@H](C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574080834 948806479 /nfs/dbraw/zinc/80/64/79/948806479.db2.gz OHNNDBXBIZEVJI-NHYWBVRUSA-N -1 1 376.440 1.372 20 0 GDADMM CC(C)[C@@H](F)C(=O)N[C@@H](C)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574080835 948807178 /nfs/dbraw/zinc/80/71/78/948807178.db2.gz OHNNDBXBIZEVJI-XHDPSFHLSA-N -1 1 376.440 1.372 20 0 GDADMM CC(C)[C@@H](F)C(=O)N[C@@H](C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574080835 948807191 /nfs/dbraw/zinc/80/71/91/948807191.db2.gz OHNNDBXBIZEVJI-XHDPSFHLSA-N -1 1 376.440 1.372 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1coc(C(F)F)c1 ZINC001574681331 948814650 /nfs/dbraw/zinc/81/46/50/948814650.db2.gz LOVXFWCXUYVOJM-QMMMGPOBSA-N -1 1 378.343 1.808 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1coc(C(F)F)c1 ZINC001574681331 948814669 /nfs/dbraw/zinc/81/46/69/948814669.db2.gz LOVXFWCXUYVOJM-QMMMGPOBSA-N -1 1 378.343 1.808 20 0 GDADMM CC(C)[C@H](F)C(=O)NCc1ccc(CNc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001574081254 948823142 /nfs/dbraw/zinc/82/31/42/948823142.db2.gz RHWVINLJWOZQGN-INIZCTEOSA-N -1 1 384.419 1.879 20 0 GDADMM CC(C)[C@H](F)C(=O)NCc1ccc(CNc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001574081254 948823163 /nfs/dbraw/zinc/82/31/63/948823163.db2.gz RHWVINLJWOZQGN-INIZCTEOSA-N -1 1 384.419 1.879 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccc2cc[nH]c2n1 ZINC001574681756 948824438 /nfs/dbraw/zinc/82/44/38/948824438.db2.gz NSCWYOKEETYHOG-JTQLQIEISA-N -1 1 378.400 1.154 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccc2cc[nH]c2n1 ZINC001574681756 948824455 /nfs/dbraw/zinc/82/44/55/948824455.db2.gz NSCWYOKEETYHOG-JTQLQIEISA-N -1 1 378.400 1.154 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@@H]2[C@@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575227799 948833656 /nfs/dbraw/zinc/83/36/56/948833656.db2.gz ZLTNABSCQIWXFZ-WDEREUQCSA-N -1 1 378.387 1.129 20 0 GDADMM CC(C)[C@@H](F)C(=O)NC[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574081710 948837676 /nfs/dbraw/zinc/83/76/76/948837676.db2.gz VVFFCCAWJMNKEA-XJKCOSOUSA-N -1 1 390.467 1.985 20 0 GDADMM CC(C)[C@@H](F)C(=O)NC[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574081710 948837697 /nfs/dbraw/zinc/83/76/97/948837697.db2.gz VVFFCCAWJMNKEA-XJKCOSOUSA-N -1 1 390.467 1.985 20 0 GDADMM CC(C)c1ccsc1C(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574424332 948849313 /nfs/dbraw/zinc/84/93/13/948849313.db2.gz KVNLAZIYDPQURM-UHFFFAOYSA-N -1 1 384.469 1.804 20 0 GDADMM CC(C)c1ccsc1C(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574424332 948849330 /nfs/dbraw/zinc/84/93/30/948849330.db2.gz KVNLAZIYDPQURM-UHFFFAOYSA-N -1 1 384.469 1.804 20 0 GDADMM C[C@H](CNC(=O)CCCc1cccs1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574918509 948852170 /nfs/dbraw/zinc/85/21/70/948852170.db2.gz LVRVDLQNMDHKOS-GFCCVEGCSA-N -1 1 386.485 1.682 20 0 GDADMM C[C@H](CNC(=O)CCCc1cccs1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574918509 948852186 /nfs/dbraw/zinc/85/21/86/948852186.db2.gz LVRVDLQNMDHKOS-GFCCVEGCSA-N -1 1 386.485 1.682 20 0 GDADMM CC(C)(C(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)c1ccccc1 ZINC001573763113 948865972 /nfs/dbraw/zinc/86/59/72/948865972.db2.gz BCQOOUSXBCSSLF-UHFFFAOYSA-N -1 1 392.467 1.459 20 0 GDADMM CC(C)c1ccsc1C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574424961 948869343 /nfs/dbraw/zinc/86/93/43/948869343.db2.gz YQXMKPSJJPKFLI-LLVKDONJSA-N -1 1 384.469 1.850 20 0 GDADMM CC(C)c1ccsc1C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574424961 948869362 /nfs/dbraw/zinc/86/93/62/948869362.db2.gz YQXMKPSJJPKFLI-LLVKDONJSA-N -1 1 384.469 1.850 20 0 GDADMM CC(C)c1nc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)cs1 ZINC001574425545 948881139 /nfs/dbraw/zinc/88/11/39/948881139.db2.gz IVMFZTQLXZNARF-UHFFFAOYSA-N -1 1 389.445 1.259 20 0 GDADMM CC(C)c1nc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)cs1 ZINC001574425545 948881159 /nfs/dbraw/zinc/88/11/59/948881159.db2.gz IVMFZTQLXZNARF-UHFFFAOYSA-N -1 1 389.445 1.259 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)Cn1ccnc1 ZINC001574684971 948895120 /nfs/dbraw/zinc/89/51/20/948895120.db2.gz QALJLYXEKNNIGQ-QMMMGPOBSA-N -1 1 381.853 1.180 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)Cn1ccnc1 ZINC001574684971 948895141 /nfs/dbraw/zinc/89/51/41/948895141.db2.gz QALJLYXEKNNIGQ-QMMMGPOBSA-N -1 1 381.853 1.180 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)C1=COCCC1 ZINC001574685022 948898773 /nfs/dbraw/zinc/89/87/73/948898773.db2.gz REDQXHPPXWATON-MRVPVSSYSA-N -1 1 383.865 1.978 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)C1=COCCC1 ZINC001574685022 948898791 /nfs/dbraw/zinc/89/87/91/948898791.db2.gz REDQXHPPXWATON-MRVPVSSYSA-N -1 1 383.865 1.978 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)[C@@H]1CC1(F)F ZINC001574685072 948903516 /nfs/dbraw/zinc/90/35/16/948903516.db2.gz RYZLHXGDDDOZSN-RITPCOANSA-N -1 1 377.808 1.939 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)[C@@H]1CC1(F)F ZINC001574685072 948903525 /nfs/dbraw/zinc/90/35/25/948903525.db2.gz RYZLHXGDDDOZSN-RITPCOANSA-N -1 1 377.808 1.939 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)Cc1ccc[nH]1 ZINC001574685211 948904137 /nfs/dbraw/zinc/90/41/37/948904137.db2.gz STOFYFMKZRXSRP-QMMMGPOBSA-N -1 1 380.865 1.854 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)Cc1ccc[nH]1 ZINC001574685211 948904145 /nfs/dbraw/zinc/90/41/45/948904145.db2.gz STOFYFMKZRXSRP-QMMMGPOBSA-N -1 1 380.865 1.854 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)NCC1(C)CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574088043 948907239 /nfs/dbraw/zinc/90/72/39/948907239.db2.gz ABKZDEHIOGMTGK-UONOGXRCSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)NCC1(C)CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574088043 948907247 /nfs/dbraw/zinc/90/72/47/948907247.db2.gz ABKZDEHIOGMTGK-UONOGXRCSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)c1ccnn1C ZINC001574685656 948913714 /nfs/dbraw/zinc/91/37/14/948913714.db2.gz YMVBLNGHQAINMC-SSDOTTSWSA-N -1 1 381.853 1.331 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)c1ccnn1C ZINC001574685656 948913727 /nfs/dbraw/zinc/91/37/27/948913727.db2.gz YMVBLNGHQAINMC-SSDOTTSWSA-N -1 1 381.853 1.331 20 0 GDADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)N1CCC(N(C)c2nccnc2-c2nnn[n-]2)CC1 ZINC001574088237 948915264 /nfs/dbraw/zinc/91/52/64/948915264.db2.gz FBXRJRCWXXKDHP-AUUYWEPGSA-N -1 1 384.488 1.766 20 0 GDADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)N1CCC(N(C)c2nccnc2-c2nn[n-]n2)CC1 ZINC001574088237 948915279 /nfs/dbraw/zinc/91/52/79/948915279.db2.gz FBXRJRCWXXKDHP-AUUYWEPGSA-N -1 1 384.488 1.766 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)NCCC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001574088442 948926290 /nfs/dbraw/zinc/92/62/90/948926290.db2.gz CLHRJVODRLZOSG-HUUCEWRRSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)NCCC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001574088442 948926297 /nfs/dbraw/zinc/92/62/97/948926297.db2.gz CLHRJVODRLZOSG-HUUCEWRRSA-N -1 1 384.488 1.672 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001575236108 948935828 /nfs/dbraw/zinc/93/58/28/948935828.db2.gz VWMHGKXOORPBDE-NWDGAFQWSA-N -1 1 392.414 1.519 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nnn[n-]3)cn1)C2)C1CC1 ZINC001573771638 948943713 /nfs/dbraw/zinc/94/37/13/948943713.db2.gz JTGGXPHFLXRCGK-UBHSHLNASA-N -1 1 382.472 1.566 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nn[n-]n3)cn1)C2)C1CC1 ZINC001573771638 948943722 /nfs/dbraw/zinc/94/37/22/948943722.db2.gz JTGGXPHFLXRCGK-UBHSHLNASA-N -1 1 382.472 1.566 20 0 GDADMM CC(C)c1ncsc1C(=O)NC[C@@H](C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574433829 948966648 /nfs/dbraw/zinc/96/66/48/948966648.db2.gz RSAZCBYTHSSXKK-SNVBAGLBSA-N -1 1 387.473 1.491 20 0 GDADMM CC(C)c1ncsc1C(=O)NC[C@@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574433829 948966657 /nfs/dbraw/zinc/96/66/57/948966657.db2.gz RSAZCBYTHSSXKK-SNVBAGLBSA-N -1 1 387.473 1.491 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)N1CCC(CN(C)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574089959 948972128 /nfs/dbraw/zinc/97/21/28/948972128.db2.gz GSQDRDVSXVUKFF-HUUCEWRRSA-N -1 1 384.488 1.624 20 0 GDADMM CC(C)(C(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)c1ccccc1 ZINC001573774063 948998792 /nfs/dbraw/zinc/99/87/92/948998792.db2.gz PWZHBYZGCWZETD-UHFFFAOYSA-N -1 1 392.467 1.720 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CC[C@H](Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001575244365 949019472 /nfs/dbraw/zinc/01/94/72/949019472.db2.gz ZRTNXHIXBFVQJE-XYPYZODXSA-N -1 1 380.403 1.931 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CC[C@H](Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001575244365 949019450 /nfs/dbraw/zinc/01/94/50/949019450.db2.gz ZRTNXHIXBFVQJE-XYPYZODXSA-N -1 1 380.403 1.931 20 0 GDADMM CC(C)c1nocc1C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001574441089 949049402 /nfs/dbraw/zinc/04/94/02/949049402.db2.gz BGMLGVDCFNCZQF-UHFFFAOYSA-N -1 1 387.469 1.998 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001573778965 949050414 /nfs/dbraw/zinc/05/04/14/949050414.db2.gz AUGDECKNJYKWJU-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001573778965 949050437 /nfs/dbraw/zinc/05/04/37/949050437.db2.gz AUGDECKNJYKWJU-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)c1ccn(C)n1 ZINC001574693761 949057978 /nfs/dbraw/zinc/05/79/78/949057978.db2.gz IROIANBANXYREI-SSDOTTSWSA-N -1 1 381.853 1.331 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)c1ccn(C)n1 ZINC001574693761 949057997 /nfs/dbraw/zinc/05/79/97/949057997.db2.gz IROIANBANXYREI-SSDOTTSWSA-N -1 1 381.853 1.331 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H]1C ZINC001574441535 949062387 /nfs/dbraw/zinc/06/23/87/949062387.db2.gz OECIDOKRDPRHAC-PWSUYJOCSA-N -1 1 383.416 1.165 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H]1C ZINC001574441535 949062404 /nfs/dbraw/zinc/06/24/04/949062404.db2.gz OECIDOKRDPRHAC-PWSUYJOCSA-N -1 1 383.416 1.165 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1)C(F)(F)F ZINC001573779904 949074617 /nfs/dbraw/zinc/07/46/17/949074617.db2.gz PGGGHSCWCZZLMH-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1)C(F)(F)F ZINC001573779904 949074637 /nfs/dbraw/zinc/07/46/37/949074637.db2.gz PGGGHSCWCZZLMH-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)c1nocc1C(=O)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001574442061 949090284 /nfs/dbraw/zinc/09/02/84/949090284.db2.gz KLDGGYKTOZBZQP-LLVKDONJSA-N -1 1 383.416 1.342 20 0 GDADMM CC(C)c1nocc1C(=O)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001574442061 949090304 /nfs/dbraw/zinc/09/03/04/949090304.db2.gz KLDGGYKTOZBZQP-LLVKDONJSA-N -1 1 383.416 1.342 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)NCC1(C)CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001574093194 949092827 /nfs/dbraw/zinc/09/28/27/949092827.db2.gz UZVRRNAJSRNMRR-KBPBESRZSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)NCC1(C)CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001574093194 949092839 /nfs/dbraw/zinc/09/28/39/949092839.db2.gz UZVRRNAJSRNMRR-KBPBESRZSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)[C@@]1(C)C[C@H]1C(=O)N1CCC(N(C)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574093049 949093695 /nfs/dbraw/zinc/09/36/95/949093695.db2.gz VXKYSAGPQSRPSY-IFXJQAMLSA-N -1 1 384.488 1.766 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)N1CCC(CN(C)c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574093043 949093993 /nfs/dbraw/zinc/09/39/93/949093993.db2.gz QTUZHLXZHBAQBX-GJZGRUSLSA-N -1 1 384.488 1.624 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)N1CCC(CN(C)c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574093043 949094008 /nfs/dbraw/zinc/09/40/08/949094008.db2.gz QTUZHLXZHBAQBX-GJZGRUSLSA-N -1 1 384.488 1.624 20 0 GDADMM CC(C)c1nocc1C(=O)N1C[C@H](C)[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574443487 949107201 /nfs/dbraw/zinc/10/72/01/949107201.db2.gz ZBGIUVNYWWGOIF-GXFFZTMASA-N -1 1 383.416 1.341 20 0 GDADMM CC(C)c1nocc1C(=O)N1C[C@H](C)[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574443487 949107220 /nfs/dbraw/zinc/10/72/20/949107220.db2.gz ZBGIUVNYWWGOIF-GXFFZTMASA-N -1 1 383.416 1.341 20 0 GDADMM CC(C)c1occc1C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574445772 949117171 /nfs/dbraw/zinc/11/71/71/949117171.db2.gz CLTXCBUSZXXOGX-GFCCVEGCSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1occc1C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574445772 949117182 /nfs/dbraw/zinc/11/71/82/949117182.db2.gz CLTXCBUSZXXOGX-GFCCVEGCSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1c[nH]cn1 ZINC001573782791 949133156 /nfs/dbraw/zinc/13/31/56/949133156.db2.gz YLXIIQHUABIVGD-NWDGAFQWSA-N -1 1 396.459 1.054 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H](C)NC(=O)C(C)(C)C1CCOCC1 ZINC001575251221 949133712 /nfs/dbraw/zinc/13/37/12/949133712.db2.gz MFQMAIJTTUIZFG-NEPJUHHUSA-N -1 1 388.476 1.415 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H](C)NC(=O)C(C)(C)C1CCOCC1 ZINC001575251221 949133731 /nfs/dbraw/zinc/13/37/31/949133731.db2.gz MFQMAIJTTUIZFG-NEPJUHHUSA-N -1 1 388.476 1.415 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)CN(C)c1ccccc1 ZINC001574696460 949135196 /nfs/dbraw/zinc/13/51/96/949135196.db2.gz RAEZLMBUEVPADZ-CYBMUJFWSA-N -1 1 381.444 1.100 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)CN(C)c1ccccc1 ZINC001574696460 949135210 /nfs/dbraw/zinc/13/52/10/949135210.db2.gz RAEZLMBUEVPADZ-CYBMUJFWSA-N -1 1 381.444 1.100 20 0 GDADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)C1(Cc2ccccc2)CC1 ZINC001575251364 949138372 /nfs/dbraw/zinc/13/83/72/949138372.db2.gz AZEKASDLOGRUDY-KGLIPLIRSA-N -1 1 392.467 1.985 20 0 GDADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H](C)NC(=O)C1(Cc2ccccc2)CC1 ZINC001575251364 949138358 /nfs/dbraw/zinc/13/83/58/949138358.db2.gz AZEKASDLOGRUDY-KGLIPLIRSA-N -1 1 392.467 1.985 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccc2c(c1)COC2 ZINC001574696798 949140547 /nfs/dbraw/zinc/14/05/47/949140547.db2.gz UQBBYYKHSISTCD-LLVKDONJSA-N -1 1 380.412 1.307 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccc2c(c1)COC2 ZINC001574696798 949140567 /nfs/dbraw/zinc/14/05/67/949140567.db2.gz UQBBYYKHSISTCD-LLVKDONJSA-N -1 1 380.412 1.307 20 0 GDADMM CC(C)c1ocnc1C(=O)NC1CC(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001574446930 949146543 /nfs/dbraw/zinc/14/65/43/949146543.db2.gz BLWZCGVMPUIQRZ-UHFFFAOYSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1ocnc1C(=O)NC1CC(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001574446930 949146553 /nfs/dbraw/zinc/14/65/53/949146553.db2.gz BLWZCGVMPUIQRZ-UHFFFAOYSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)N1CCC(CN(C)c2nccnc2-c2nnn[n-]2)CC1 ZINC001574095790 949151500 /nfs/dbraw/zinc/15/15/00/949151500.db2.gz YZYGHYKVJQAUAE-LSDHHAIUSA-N -1 1 384.488 1.624 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)N1CCC(CN(C)c2nccnc2-c2nn[n-]n2)CC1 ZINC001574095790 949151517 /nfs/dbraw/zinc/15/15/17/949151517.db2.gz YZYGHYKVJQAUAE-LSDHHAIUSA-N -1 1 384.488 1.624 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)N1CCC(CCNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574095833 949156413 /nfs/dbraw/zinc/15/64/13/949156413.db2.gz ZKIVFWBPXBCWSW-GJZGRUSLSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)N1CCC(CCNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574095833 949156429 /nfs/dbraw/zinc/15/64/29/949156429.db2.gz ZKIVFWBPXBCWSW-GJZGRUSLSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H](NC(=O)C1(CF)CCC1)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575252293 949160748 /nfs/dbraw/zinc/16/07/48/949160748.db2.gz FDTLJGPIUNFXSK-QWHCGFSZSA-N -1 1 388.451 1.518 20 0 GDADMM C[C@H](NC(=O)C1(CF)CCC1)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575252293 949160760 /nfs/dbraw/zinc/16/07/60/949160760.db2.gz FDTLJGPIUNFXSK-QWHCGFSZSA-N -1 1 388.451 1.518 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C1CCOCC1 ZINC001573787144 949168696 /nfs/dbraw/zinc/16/86/96/949168696.db2.gz NDZGOZOEVSPYLK-JOCQHMNTSA-N -1 1 386.460 1.169 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C1CCOCC1 ZINC001573787144 949168713 /nfs/dbraw/zinc/16/87/13/949168713.db2.gz NDZGOZOEVSPYLK-JOCQHMNTSA-N -1 1 386.460 1.169 20 0 GDADMM CC(C)c1ocnc1C(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001574447739 949173313 /nfs/dbraw/zinc/17/33/13/949173313.db2.gz ZQAOTZTVWLCXIJ-LLVKDONJSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1ocnc1C(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001574447739 949173325 /nfs/dbraw/zinc/17/33/25/949173325.db2.gz ZQAOTZTVWLCXIJ-LLVKDONJSA-N -1 1 383.416 1.389 20 0 GDADMM C[C@H](NC(=O)C1(CF)CCC1)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575252854 949175100 /nfs/dbraw/zinc/17/51/00/949175100.db2.gz IABZOTSNEUFVOM-STQMWFEESA-N -1 1 388.451 1.518 20 0 GDADMM C[C@H](NC(=O)C1(C2CC2)CC1)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575253586 949193526 /nfs/dbraw/zinc/19/35/26/949193526.db2.gz KUYCUYFDBISZIQ-QWHCGFSZSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](CNC(=O)Cc1c(F)cccc1F)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574935590 949199299 /nfs/dbraw/zinc/19/92/99/949199299.db2.gz CRARFMVOXMJEGX-SNVBAGLBSA-N -1 1 388.382 1.119 20 0 GDADMM C[C@H](CNC(=O)Cc1c(F)cccc1F)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574935590 949199316 /nfs/dbraw/zinc/19/93/16/949199316.db2.gz CRARFMVOXMJEGX-SNVBAGLBSA-N -1 1 388.382 1.119 20 0 GDADMM CC(C)c1oncc1C(=O)N(C)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574450282 949210958 /nfs/dbraw/zinc/21/09/58/949210958.db2.gz ZABCREPSCBADLW-NSHDSACASA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1oncc1C(=O)N(C)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574450282 949210973 /nfs/dbraw/zinc/21/09/73/949210973.db2.gz ZABCREPSCBADLW-NSHDSACASA-N -1 1 383.416 1.119 20 0 GDADMM C[C@H](NC(=O)C(C)(C)CC(F)(F)F)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575254743 949212221 /nfs/dbraw/zinc/21/22/21/949212221.db2.gz XGHRPGKLFDOJFJ-IUCAKERBSA-N -1 1 386.382 1.940 20 0 GDADMM C[C@H](NC(=O)C(C)(C)CC(F)(F)F)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575254743 949212241 /nfs/dbraw/zinc/21/22/41/949212241.db2.gz XGHRPGKLFDOJFJ-IUCAKERBSA-N -1 1 386.382 1.940 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(Cl)s1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574936707 949215689 /nfs/dbraw/zinc/21/56/89/949215689.db2.gz KCGNBQGTRQHOHN-VIFPVBQESA-N -1 1 392.876 1.555 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(Cl)s1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574936707 949215704 /nfs/dbraw/zinc/21/57/04/949215704.db2.gz KCGNBQGTRQHOHN-VIFPVBQESA-N -1 1 392.876 1.555 20 0 GDADMM C[C@H](CNC(=O)C[C@@H]1C[C@H]1Cc1ccccc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574936874 949219105 /nfs/dbraw/zinc/21/91/05/949219105.db2.gz LRXXAGGKAAAXRN-BMFZPTHFSA-N -1 1 392.467 1.842 20 0 GDADMM C[C@H](CNC(=O)C[C@@H]1C[C@H]1Cc1ccccc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574936874 949219124 /nfs/dbraw/zinc/21/91/24/949219124.db2.gz LRXXAGGKAAAXRN-BMFZPTHFSA-N -1 1 392.467 1.842 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)C1CC1)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575254770 949219094 /nfs/dbraw/zinc/21/90/94/949219094.db2.gz XRIHAFMSPCKHCJ-OLZOCXBDSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)C1CC1)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575254770 949219115 /nfs/dbraw/zinc/21/91/15/949219115.db2.gz XRIHAFMSPCKHCJ-OLZOCXBDSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574451203 949220733 /nfs/dbraw/zinc/22/07/33/949220733.db2.gz HCCWXJOWELSFNY-JTQLQIEISA-N -1 1 385.457 1.245 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574451203 949220753 /nfs/dbraw/zinc/22/07/53/949220753.db2.gz HCCWXJOWELSFNY-JTQLQIEISA-N -1 1 385.457 1.245 20 0 GDADMM CC(C)(C)C(=O)N1CCC[C@H]([C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001573792172 949238531 /nfs/dbraw/zinc/23/85/31/949238531.db2.gz MFVQVLUOFZMAKD-KBPBESRZSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)(C)C(=O)N1CCC[C@H]([C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001573792172 949238564 /nfs/dbraw/zinc/23/85/64/949238564.db2.gz MFVQVLUOFZMAKD-KBPBESRZSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)CC(=O)N1CCC([C@@H]2CCCN2c2nccnc2-c2nnn[n-]2)CC1 ZINC001574103402 949242028 /nfs/dbraw/zinc/24/20/28/949242028.db2.gz RWBXKGUFQQAURX-HNNXBMFYSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CC(=O)N1CCC([C@@H]2CCCN2c2nccnc2-c2nn[n-]n2)CC1 ZINC001574103402 949242050 /nfs/dbraw/zinc/24/20/50/949242050.db2.gz RWBXKGUFQQAURX-HNNXBMFYSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)(C)C(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1ccc(-c2nnn[n-]2)nn1 ZINC001573792348 949244502 /nfs/dbraw/zinc/24/45/02/949244502.db2.gz OKFYYMIDCLPJLY-XPCVCDNBSA-N -1 1 382.472 1.376 20 0 GDADMM CC(C)(C)C(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1ccc(-c2nn[n-]n2)nn1 ZINC001573792348 949244526 /nfs/dbraw/zinc/24/45/26/949244526.db2.gz OKFYYMIDCLPJLY-XPCVCDNBSA-N -1 1 382.472 1.376 20 0 GDADMM C[C@@H]1CCC[C@@H](C(=O)N2CCC(N(C)c3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001576152208 949245762 /nfs/dbraw/zinc/24/57/62/949245762.db2.gz IZNLLCJYOGKZEA-ZIAGYGMSSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](CNC(=O)Cc1c(F)cccc1Cl)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574938751 949251688 /nfs/dbraw/zinc/25/16/88/949251688.db2.gz ZZFOTRHAGRRTIL-SECBINFHSA-N -1 1 390.810 1.609 20 0 GDADMM C[C@H](CNC(=O)Cc1c(F)cccc1Cl)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574938751 949251704 /nfs/dbraw/zinc/25/17/04/949251704.db2.gz ZZFOTRHAGRRTIL-SECBINFHSA-N -1 1 390.810 1.609 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H](C)c1cccc(F)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001574700303 949255223 /nfs/dbraw/zinc/25/52/23/949255223.db2.gz ZBRZTYYOJKDGHE-VXGBXAGGSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H](C)c1cccc(F)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001574700303 949255240 /nfs/dbraw/zinc/25/52/40/949255240.db2.gz ZBRZTYYOJKDGHE-VXGBXAGGSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(C2CC2)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001574940227 949256017 /nfs/dbraw/zinc/25/60/17/949256017.db2.gz BXBGWMKMHWPDFS-LBPRGKRZSA-N -1 1 378.440 1.693 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(C2CC2)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001574940227 949256036 /nfs/dbraw/zinc/25/60/36/949256036.db2.gz BXBGWMKMHWPDFS-LBPRGKRZSA-N -1 1 378.440 1.693 20 0 GDADMM CC(C)n1cc(C(=O)NC2CC(CNc3ccc(-c4nnn[n-]4)nn3)C2)cn1 ZINC001574452268 949259165 /nfs/dbraw/zinc/25/91/65/949259165.db2.gz IKHWVTSFPSMMTN-UHFFFAOYSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cc(C(=O)NC2CC(CNc3ccc(-c4nn[n-]n4)nn3)C2)cn1 ZINC001574452268 949259192 /nfs/dbraw/zinc/25/91/92/949259192.db2.gz IKHWVTSFPSMMTN-UHFFFAOYSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(Cl)c1)CNc1nccnc1-c1nnn[n-]1 ZINC001574940709 949273673 /nfs/dbraw/zinc/27/36/73/949273673.db2.gz IMQYBYNBNOSCKR-LLVKDONJSA-N -1 1 386.847 1.717 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(Cl)c1)CNc1nccnc1-c1nn[n-]n1 ZINC001574940709 949273694 /nfs/dbraw/zinc/27/36/94/949273694.db2.gz IMQYBYNBNOSCKR-LLVKDONJSA-N -1 1 386.847 1.717 20 0 GDADMM C[C@H](CN(C)C(=O)C1(C2CCCCC2)CC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574702370 949278560 /nfs/dbraw/zinc/27/85/60/949278560.db2.gz HVXHENRVAKZTEI-CYBMUJFWSA-N -1 1 384.488 1.698 20 0 GDADMM C[C@H]1CCC[C@@]1(C)C(=O)N1CCC(N(C)c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576153173 949281991 /nfs/dbraw/zinc/28/19/91/949281991.db2.gz LDHWUVWIFSPEFJ-ORAYPTAESA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CCC[C@@]1(C)C(=O)N1CCC(N(C)c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576153173 949282015 /nfs/dbraw/zinc/28/20/15/949282015.db2.gz LDHWUVWIFSPEFJ-ORAYPTAESA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)(C)C(=O)C(=O)N[C@@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C12CCC2 ZINC001573793166 949285947 /nfs/dbraw/zinc/28/59/47/949285947.db2.gz NBUPLRQBAYYTRA-NWDGAFQWSA-N -1 1 384.444 1.111 20 0 GDADMM CC(C)(C)C(=O)C(=O)N[C@@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C12CCC2 ZINC001573793166 949285968 /nfs/dbraw/zinc/28/59/68/949285968.db2.gz NBUPLRQBAYYTRA-NWDGAFQWSA-N -1 1 384.444 1.111 20 0 GDADMM CC(C)n1cc(C(=O)NC[C@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001574454918 949288722 /nfs/dbraw/zinc/28/87/22/949288722.db2.gz GRTHNWXAENCURT-BJHJDKERSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cc(C(=O)NC[C@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001574454918 949288745 /nfs/dbraw/zinc/28/87/45/949288745.db2.gz GRTHNWXAENCURT-BJHJDKERSA-N -1 1 382.432 1.055 20 0 GDADMM CC1=CC[C@@](C)(C(=O)N(C)C[C@H](O)CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001575860433 949299691 /nfs/dbraw/zinc/29/96/91/949299691.db2.gz IEHUVESBDYWRSC-FZKQIMNGSA-N -1 1 386.460 1.024 20 0 GDADMM CC1=CC[C@@](C)(C(=O)N(C)C[C@H](O)CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001575860433 949299708 /nfs/dbraw/zinc/29/97/08/949299708.db2.gz IEHUVESBDYWRSC-FZKQIMNGSA-N -1 1 386.460 1.024 20 0 GDADMM C[C@H](NC(=O)C1CC(C)(C)C1)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575258494 949300532 /nfs/dbraw/zinc/30/05/32/949300532.db2.gz IFFULXZRFFFEBB-QWHCGFSZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](NC(=O)C1CC(C)(C)C1)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575258494 949300556 /nfs/dbraw/zinc/30/05/56/949300556.db2.gz IFFULXZRFFFEBB-QWHCGFSZSA-N -1 1 384.488 1.814 20 0 GDADMM CC1=C(C)C[C@H](C(=O)N(C)[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001575861224 949320587 /nfs/dbraw/zinc/32/05/87/949320587.db2.gz QJRWKDBCYYDTIZ-HUUCEWRRSA-N -1 1 382.472 1.830 20 0 GDADMM CC1=C(C)C[C@H](C(=O)N(C)[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001575861224 949320611 /nfs/dbraw/zinc/32/06/11/949320611.db2.gz QJRWKDBCYYDTIZ-HUUCEWRRSA-N -1 1 382.472 1.830 20 0 GDADMM C[C@H](NC(=O)C1C=CC=CC=C1)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575259463 949328244 /nfs/dbraw/zinc/32/82/44/949328244.db2.gz OTCWSJPBGGWMNF-GOEBONIOSA-N -1 1 392.467 1.676 20 0 GDADMM C[C@H](NC(=O)C1C=CC=CC=C1)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575259463 949328262 /nfs/dbraw/zinc/32/82/62/949328262.db2.gz OTCWSJPBGGWMNF-GOEBONIOSA-N -1 1 392.467 1.676 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(Cl)c1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574941933 949329720 /nfs/dbraw/zinc/32/97/20/949329720.db2.gz VEGZQKFRGMIBCD-LLVKDONJSA-N -1 1 386.847 1.717 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(Cl)c1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574941933 949329736 /nfs/dbraw/zinc/32/97/36/949329736.db2.gz VEGZQKFRGMIBCD-LLVKDONJSA-N -1 1 386.847 1.717 20 0 GDADMM CC(C)n1ccc(C(=O)N2CCC(Nc3cncc(-c4nnn[n-]4)n3)CC2)n1 ZINC001574458239 949334853 /nfs/dbraw/zinc/33/48/53/949334853.db2.gz RJHBKUTZOWYFOA-UHFFFAOYSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1ccc(C(=O)N2CCC(Nc3cncc(-c4nn[n-]n4)n3)CC2)n1 ZINC001574458239 949334878 /nfs/dbraw/zinc/33/48/78/949334878.db2.gz RJHBKUTZOWYFOA-UHFFFAOYSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)[C@H](C)NC(=O)C1=CCOCC1 ZINC001575260072 949344029 /nfs/dbraw/zinc/34/40/29/949344029.db2.gz UFFKKLSACQKCFR-JGVFFNPUSA-N -1 1 383.865 1.628 20 0 GDADMM C[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)[C@H](C)NC(=O)C1=CCOCC1 ZINC001575260072 949344050 /nfs/dbraw/zinc/34/40/50/949344050.db2.gz UFFKKLSACQKCFR-JGVFFNPUSA-N -1 1 383.865 1.628 20 0 GDADMM C[C@@H](NC(=O)C1CCC(F)(F)CC1)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575259923 949345623 /nfs/dbraw/zinc/34/56/23/949345623.db2.gz SLQOBMZVDNAOEN-NXEZZACHSA-N -1 1 380.403 1.209 20 0 GDADMM C[C@@H](NC(=O)C1CC(F)(F)C1)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575260990 949367700 /nfs/dbraw/zinc/36/77/00/949367700.db2.gz ZDLPZCAFWZMQFJ-GHMZBOCLSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@@H](NC(=O)C1CC(F)(F)C1)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575260990 949367726 /nfs/dbraw/zinc/36/77/26/949367726.db2.gz ZDLPZCAFWZMQFJ-GHMZBOCLSA-N -1 1 392.414 1.423 20 0 GDADMM CC(C)n1cccc1C(=O)N(C)CCCN(C)c1nccnc1-c1nnn[n-]1 ZINC001574460696 949378331 /nfs/dbraw/zinc/37/83/31/949378331.db2.gz XVFPJTAOIKCMRX-UHFFFAOYSA-N -1 1 383.460 1.638 20 0 GDADMM CC(C)n1cccc1C(=O)N(C)CCCN(C)c1nccnc1-c1nn[n-]n1 ZINC001574460696 949378349 /nfs/dbraw/zinc/37/83/49/949378349.db2.gz XVFPJTAOIKCMRX-UHFFFAOYSA-N -1 1 383.460 1.638 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C(C2CC2)C2CC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575866080 949393274 /nfs/dbraw/zinc/39/32/74/949393274.db2.gz CNTHKTYERKVHJO-BXUZGUMPSA-N -1 1 382.472 1.566 20 0 GDADMM CC(C)(C)C(=O)NC[C@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)CCO1 ZINC001573801831 949404542 /nfs/dbraw/zinc/40/45/42/949404542.db2.gz ACJMTDQKPKOPHL-QMMMGPOBSA-N -1 1 385.881 1.344 20 0 GDADMM CC(C)(C)C(=O)NC[C@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)CCO1 ZINC001573801831 949404554 /nfs/dbraw/zinc/40/45/54/949404554.db2.gz ACJMTDQKPKOPHL-QMMMGPOBSA-N -1 1 385.881 1.344 20 0 GDADMM CC1(C(=O)N2CC[C@@H](CCNc3nccnc3-c3nnn[n-]3)C2)CC(F)(F)C1 ZINC001575533207 949416642 /nfs/dbraw/zinc/41/66/42/949416642.db2.gz FFZVYGXFFMSLTG-LLVKDONJSA-N -1 1 392.414 1.743 20 0 GDADMM CC1(C(=O)N2CC[C@@H](CCNc3nccnc3-c3nn[n-]n3)C2)CC(F)(F)C1 ZINC001575533207 949416657 /nfs/dbraw/zinc/41/66/57/949416657.db2.gz FFZVYGXFFMSLTG-LLVKDONJSA-N -1 1 392.414 1.743 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1nccnc1-c1nnn[n-]1)NC(=O)CC(C)(C)O ZINC001576155916 949422803 /nfs/dbraw/zinc/42/28/03/949422803.db2.gz KKFMWUXTBBHDMG-KPZWWZAWSA-N -1 1 388.476 1.295 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1nccnc1-c1nn[n-]n1)NC(=O)CC(C)(C)O ZINC001576155916 949422812 /nfs/dbraw/zinc/42/28/12/949422812.db2.gz KKFMWUXTBBHDMG-KPZWWZAWSA-N -1 1 388.476 1.295 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1CC1(F)F)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574705490 949426797 /nfs/dbraw/zinc/42/67/97/949426797.db2.gz UBUYHKZPHFFUBQ-PHDIDXHHSA-N -1 1 377.808 1.891 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1CC1(F)F)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574705490 949426809 /nfs/dbraw/zinc/42/68/09/949426809.db2.gz UBUYHKZPHFFUBQ-PHDIDXHHSA-N -1 1 377.808 1.891 20 0 GDADMM CC(C)CC(=O)N[C@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C[C@@H]1O ZINC001574116580 949428900 /nfs/dbraw/zinc/42/89/00/949428900.db2.gz ARIOQPKHVYVMPE-IUCAKERBSA-N -1 1 385.881 1.079 20 0 GDADMM CC1(C(=O)N2CC[C@@H](CCNc3ccc(-c4nnn[n-]4)nn3)C2)CCOCC1 ZINC001575534599 949433306 /nfs/dbraw/zinc/43/33/06/949433306.db2.gz OYUMBKKZVZHFJI-CYBMUJFWSA-N -1 1 386.460 1.124 20 0 GDADMM CC1(C(=O)N2CC[C@@H](CCNc3ccc(-c4nn[n-]n4)nn3)C2)CCOCC1 ZINC001575534599 949433334 /nfs/dbraw/zinc/43/33/34/949433334.db2.gz OYUMBKKZVZHFJI-CYBMUJFWSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C(C)(C)C(F)F)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575867746 949441971 /nfs/dbraw/zinc/44/19/71/949441971.db2.gz KBZYAEKCTNXCEN-UWVGGRQHSA-N -1 1 380.403 1.422 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C(C)(C)C(F)F)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575867746 949441990 /nfs/dbraw/zinc/44/19/90/949441990.db2.gz KBZYAEKCTNXCEN-UWVGGRQHSA-N -1 1 380.403 1.422 20 0 GDADMM C[C@H]1[C@H](NC(=O)C(C)(C)C(F)F)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575867747 949444085 /nfs/dbraw/zinc/44/40/85/949444085.db2.gz KBZYAEKCTNXCEN-VHSXEESVSA-N -1 1 380.403 1.422 20 0 GDADMM C[C@H]1[C@H](NC(=O)C(C)(C)C(F)F)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575867747 949444103 /nfs/dbraw/zinc/44/41/03/949444103.db2.gz KBZYAEKCTNXCEN-VHSXEESVSA-N -1 1 380.403 1.422 20 0 GDADMM C[C@@H](NC(=O)CCC1(C)CC1)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575265757 949459439 /nfs/dbraw/zinc/45/94/39/949459439.db2.gz AEUZGHPSNFZJAR-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](NC(=O)CCC1(C)CC1)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575265757 949459452 /nfs/dbraw/zinc/45/94/52/949459452.db2.gz AEUZGHPSNFZJAR-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCC[C@@H]1CC(=O)N(C)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001576156704 949460159 /nfs/dbraw/zinc/46/01/59/949460159.db2.gz ZCPAXLZHOLWGHX-ZIAGYGMSSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCC[C@@H]1CC(=O)N(C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001576156704 949460169 /nfs/dbraw/zinc/46/01/69/949460169.db2.gz ZCPAXLZHOLWGHX-ZIAGYGMSSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)n1nccc1C(=O)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001574468934 949473170 /nfs/dbraw/zinc/47/31/70/949473170.db2.gz VNVJWIUSMGFUNM-UHFFFAOYSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1nccc1C(=O)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001574468934 949473185 /nfs/dbraw/zinc/47/31/85/949473185.db2.gz VNVJWIUSMGFUNM-UHFFFAOYSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cc[nH]c1 ZINC001576157071 949474953 /nfs/dbraw/zinc/47/49/53/949474953.db2.gz PEJQCXGCMLVGBK-KPZWWZAWSA-N -1 1 381.444 1.198 20 0 GDADMM CC(C)CC(=O)NC[C@@H]1COCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC001574119773 949497697 /nfs/dbraw/zinc/49/76/97/949497697.db2.gz JCJZXBQLWFIFQW-SECBINFHSA-N -1 1 385.881 1.344 20 0 GDADMM CC(C)CC(=O)NC[C@@H]1COCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC001574119773 949497712 /nfs/dbraw/zinc/49/77/12/949497712.db2.gz JCJZXBQLWFIFQW-SECBINFHSA-N -1 1 385.881 1.344 20 0 GDADMM CC1(C(=O)N2CC[C@@H]3[C@H](CCN3c3nccnc3-c3nnn[n-]3)C2)CC=CC1 ZINC001575537784 949502288 /nfs/dbraw/zinc/50/22/88/949502288.db2.gz AYIVYOWZWQMPSR-ZIAGYGMSSA-N -1 1 380.456 1.440 20 0 GDADMM CC1(C(=O)N2CC[C@@H]3[C@H](CCN3c3nccnc3-c3nn[n-]n3)C2)CC=CC1 ZINC001575537784 949502303 /nfs/dbraw/zinc/50/23/03/949502303.db2.gz AYIVYOWZWQMPSR-ZIAGYGMSSA-N -1 1 380.456 1.440 20 0 GDADMM CC(C)n1nccc1C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCC1 ZINC001574470451 949503402 /nfs/dbraw/zinc/50/34/02/949503402.db2.gz RGVRZWKPMJQFHR-UHFFFAOYSA-N -1 1 382.432 1.199 20 0 GDADMM CC(C)n1nccc1C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCC1 ZINC001574470451 949503411 /nfs/dbraw/zinc/50/34/11/949503411.db2.gz RGVRZWKPMJQFHR-UHFFFAOYSA-N -1 1 382.432 1.199 20 0 GDADMM C[C@H]1[C@H](NC(=O)C(C)(C)C(F)F)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575871069 949504035 /nfs/dbraw/zinc/50/40/35/949504035.db2.gz YKMLUWGRJKNMDY-VHSXEESVSA-N -1 1 380.403 1.422 20 0 GDADMM C[C@H]1[C@H](NC(=O)C(C)(C)C(F)F)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575871069 949504045 /nfs/dbraw/zinc/50/40/45/949504045.db2.gz YKMLUWGRJKNMDY-VHSXEESVSA-N -1 1 380.403 1.422 20 0 GDADMM C[C@H](NC(=O)CC1CCCC1)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575267659 949504842 /nfs/dbraw/zinc/50/48/42/949504842.db2.gz JEIMHPQMKITDAV-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](NC(=O)CC1CCCC1)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575267659 949504850 /nfs/dbraw/zinc/50/48/50/949504850.db2.gz JEIMHPQMKITDAV-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCCC[C@@H]1C(=O)N(C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576159024 949509587 /nfs/dbraw/zinc/50/95/87/949509587.db2.gz VWOXWFHLFXTYFJ-HIFRSBDPSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCCC[C@@H]1C(=O)N(C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576159024 949509597 /nfs/dbraw/zinc/50/95/97/949509597.db2.gz VWOXWFHLFXTYFJ-HIFRSBDPSA-N -1 1 384.488 1.910 20 0 GDADMM CC1(C(=O)N2CCC[C@@H]([C@@H]3CCN(c4cnc(-c5nnn[n-]5)cn4)C3)C2)CC1 ZINC001575538179 949511673 /nfs/dbraw/zinc/51/16/73/949511673.db2.gz DLJRWMNPHKJMBG-ZIAGYGMSSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C(=O)N2CCC[C@@H]([C@@H]3CCN(c4cnc(-c5nn[n-]n5)cn4)C3)C2)CC1 ZINC001575538179 949511687 /nfs/dbraw/zinc/51/16/87/949511687.db2.gz DLJRWMNPHKJMBG-ZIAGYGMSSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H](CN(C)C(=O)CC(C)(C)C(F)(F)F)Nc1nccnc1-c1nnn[n-]1 ZINC001574710934 949515682 /nfs/dbraw/zinc/51/56/82/949515682.db2.gz CEICJBHPHBBCHM-VIFPVBQESA-N -1 1 386.382 1.894 20 0 GDADMM C[C@@H](CN(C)C(=O)CC(C)(C)C(F)(F)F)Nc1nccnc1-c1nn[n-]n1 ZINC001574710934 949515700 /nfs/dbraw/zinc/51/57/00/949515700.db2.gz CEICJBHPHBBCHM-VIFPVBQESA-N -1 1 386.382 1.894 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1Cc2ccc(F)cc21)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574710913 949518602 /nfs/dbraw/zinc/51/86/02/949518602.db2.gz BUTXNCMNFQGQON-QMTHXVAHSA-N -1 1 382.403 1.395 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1Cc2ccc(F)cc21)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574710913 949518612 /nfs/dbraw/zinc/51/86/12/949518612.db2.gz BUTXNCMNFQGQON-QMTHXVAHSA-N -1 1 382.403 1.395 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cn[nH]c1 ZINC001576159504 949521111 /nfs/dbraw/zinc/52/11/11/949521111.db2.gz XVNRDOCRIKDDAS-APPDUMDISA-N -1 1 382.432 1.171 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cn[nH]c1 ZINC001576159504 949521129 /nfs/dbraw/zinc/52/11/29/949521129.db2.gz XVNRDOCRIKDDAS-APPDUMDISA-N -1 1 382.432 1.171 20 0 GDADMM C[C@@H](Cc1ccccc1)C(=O)NC[C@H](C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574950032 949522649 /nfs/dbraw/zinc/52/26/49/949522649.db2.gz KBHGPULCLCDLPY-KBPBESRZSA-N -1 1 380.456 1.476 20 0 GDADMM C[C@@H](Cc1ccccc1)C(=O)NC[C@H](C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574950032 949522664 /nfs/dbraw/zinc/52/26/64/949522664.db2.gz KBHGPULCLCDLPY-KBPBESRZSA-N -1 1 380.456 1.476 20 0 GDADMM C[C@H](CNC(=O)[C@@H](C)Cc1ccccc1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574949999 949524685 /nfs/dbraw/zinc/52/46/85/949524685.db2.gz JJDKKOPTYHRZNM-UONOGXRCSA-N -1 1 380.456 1.476 20 0 GDADMM CC(C)CC(=O)NC[C@@H]1Cc2ccccc2CN1c1nccnc1-c1nnn[n-]1 ZINC001574122430 949524938 /nfs/dbraw/zinc/52/49/38/949524938.db2.gz WFTHJYRJSFCASE-INIZCTEOSA-N -1 1 392.467 1.750 20 0 GDADMM CC(C)CC(=O)NC[C@@H]1Cc2ccccc2CN1c1nccnc1-c1nn[n-]n1 ZINC001574122430 949524952 /nfs/dbraw/zinc/52/49/52/949524952.db2.gz WFTHJYRJSFCASE-INIZCTEOSA-N -1 1 392.467 1.750 20 0 GDADMM C[C@@]1(C(=O)N2CCC[C@@H](CCNc3cnc(-c4nnn[n-]4)cn3)C2)CCOC1 ZINC001575538826 949528888 /nfs/dbraw/zinc/52/88/88/949528888.db2.gz JOWTUKWGCUMWPS-SCLBCKFNSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@@]1(C(=O)N2CCC[C@@H](CCNc3cnc(-c4nn[n-]n4)cn3)C2)CCOC1 ZINC001575538826 949528899 /nfs/dbraw/zinc/52/88/99/949528899.db2.gz JOWTUKWGCUMWPS-SCLBCKFNSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@H]1CCCN(C(=O)C2(CCF)CC2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576163371 949530001 /nfs/dbraw/zinc/53/00/01/949530001.db2.gz AQEBPQIJUKHISN-JSGCOSHPSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@H]1CCCN(C(=O)C2(CCF)CC2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576163371 949530016 /nfs/dbraw/zinc/53/00/16/949530016.db2.gz AQEBPQIJUKHISN-JSGCOSHPSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@@H](NC(=O)CC1(C(F)(F)F)CC1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575268796 949531318 /nfs/dbraw/zinc/53/13/18/949531318.db2.gz PHTKYVOYROBKMQ-BDAKNGLRSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](NC(=O)CC1(C(F)(F)F)CC1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575268796 949531338 /nfs/dbraw/zinc/53/13/38/949531338.db2.gz PHTKYVOYROBKMQ-BDAKNGLRSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](NC(=O)CCC1(C)CC1)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575268787 949533194 /nfs/dbraw/zinc/53/31/94/949533194.db2.gz PCROFJUJEVVOSI-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](NC(=O)CCC1(C)CC1)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575268787 949533210 /nfs/dbraw/zinc/53/32/10/949533210.db2.gz PCROFJUJEVVOSI-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](NC(=O)CCC1(C)CC1)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575268785 949533474 /nfs/dbraw/zinc/53/34/74/949533474.db2.gz PCROFJUJEVVOSI-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](NC(=O)CCC1(C)CC1)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575268785 949533481 /nfs/dbraw/zinc/53/34/81/949533481.db2.gz PCROFJUJEVVOSI-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C(=O)N2CCC[C@H]([C@@H]3CCN(c4ccnc(-c5nn[n-]n5)n4)C3)C2)CC1 ZINC001575539051 949538694 /nfs/dbraw/zinc/53/86/94/949538694.db2.gz LWAFUUHEVAGSMD-UONOGXRCSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H]1CCCN(C(=O)CC(F)(F)F)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576164204 949549303 /nfs/dbraw/zinc/54/93/03/949549303.db2.gz FBEAZFRGTNDNQT-UWVGGRQHSA-N -1 1 384.366 1.070 20 0 GDADMM CC1(C(=O)N2CCC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CC(F)(F)C1 ZINC001575539609 949554107 /nfs/dbraw/zinc/55/41/07/949554107.db2.gz RPYIGBDPFYZSNI-LLVKDONJSA-N -1 1 392.414 1.743 20 0 GDADMM C[C@H]1CCCN(C(=O)C2CC(F)(F)C2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576164497 949554147 /nfs/dbraw/zinc/55/41/47/949554147.db2.gz GRACBXYTONYCJS-CMPLNLGQSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@H]1CCCN(C(=O)C2CC(F)(F)C2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576164497 949554158 /nfs/dbraw/zinc/55/41/58/949554158.db2.gz GRACBXYTONYCJS-CMPLNLGQSA-N -1 1 392.414 1.741 20 0 GDADMM CC1(C(=O)N2CCC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CC(F)(F)C1 ZINC001575539609 949554121 /nfs/dbraw/zinc/55/41/21/949554121.db2.gz RPYIGBDPFYZSNI-LLVKDONJSA-N -1 1 392.414 1.743 20 0 GDADMM C[C@H](CC(=O)N(C)C1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574472692 949556304 /nfs/dbraw/zinc/55/63/04/949556304.db2.gz VPVWRTCZIMMVQL-IUDNXUCKSA-N -1 1 392.467 1.674 20 0 GDADMM CC1(C(=O)N2CCC[C@H](CNc3nccnc3-c3nnn[n-]3)C2)CCOCC1 ZINC001575540224 949561169 /nfs/dbraw/zinc/56/11/69/949561169.db2.gz VVXBGBNQMOHKDS-CYBMUJFWSA-N -1 1 386.460 1.124 20 0 GDADMM CC1(C(=O)N2CCC[C@H](CNc3nccnc3-c3nn[n-]n3)C2)CCOCC1 ZINC001575540224 949561191 /nfs/dbraw/zinc/56/11/91/949561191.db2.gz VVXBGBNQMOHKDS-CYBMUJFWSA-N -1 1 386.460 1.124 20 0 GDADMM CC(C)CC(=O)NCc1cccc2c1CCN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001574123412 949562361 /nfs/dbraw/zinc/56/23/61/949562361.db2.gz XVAQFKFBIKPIKH-UHFFFAOYSA-N -1 1 392.467 1.882 20 0 GDADMM CC(C)CC(=O)NCc1cccc2c1CCN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001574123412 949562383 /nfs/dbraw/zinc/56/23/83/949562383.db2.gz XVAQFKFBIKPIKH-UHFFFAOYSA-N -1 1 392.467 1.882 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C23CCC(CC2)C3)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575872901 949563133 /nfs/dbraw/zinc/56/31/33/949563133.db2.gz LYSDUFAZNZDZSK-QWHDWNGZSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C23CCC(CC2)C3)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575872901 949563156 /nfs/dbraw/zinc/56/31/56/949563156.db2.gz LYSDUFAZNZDZSK-QWHDWNGZSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H]1CCCC[C@H]1OCC(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001576166506 949585225 /nfs/dbraw/zinc/58/52/25/949585225.db2.gz MPOQAGPYAIOOCT-PWNZVWSESA-N -1 1 386.460 1.311 20 0 GDADMM C[C@H]1CCCC[C@H]1OCC(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001576166506 949585243 /nfs/dbraw/zinc/58/52/43/949585243.db2.gz MPOQAGPYAIOOCT-PWNZVWSESA-N -1 1 386.460 1.311 20 0 GDADMM CC(C)C[C@H](C(=O)N[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1)n1ccnc1 ZINC001574125211 949585790 /nfs/dbraw/zinc/58/57/90/949585790.db2.gz OGFUWXFDUXTTOQ-GXTWGEPZSA-N -1 1 384.448 1.057 20 0 GDADMM C[C@@H](CC(=O)N(C)CCCN(C)c1nccnc1-c1nnn[n-]1)[C@@H]1CCCO1 ZINC001574476272 949590901 /nfs/dbraw/zinc/59/09/01/949590901.db2.gz FUFBWYFLNYDMSW-KBPBESRZSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@@H](CC(=O)N(C)CCCN(C)c1nccnc1-c1nn[n-]n1)[C@@H]1CCCO1 ZINC001574476272 949590918 /nfs/dbraw/zinc/59/09/18/949590918.db2.gz FUFBWYFLNYDMSW-KBPBESRZSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@@H](CC(=O)N(C)CCCN(C)c1nccnc1-c1nnn[n-]1)[C@H]1CCCO1 ZINC001574476274 949595048 /nfs/dbraw/zinc/59/50/48/949595048.db2.gz FUFBWYFLNYDMSW-UONOGXRCSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@@H](CC(=O)N(C)CCCN(C)c1nccnc1-c1nn[n-]n1)[C@H]1CCCO1 ZINC001574476274 949595068 /nfs/dbraw/zinc/59/50/68/949595068.db2.gz FUFBWYFLNYDMSW-UONOGXRCSA-N -1 1 388.476 1.147 20 0 GDADMM CC(C)C[C@@H](C(=O)N[C@H](C)CNc1nccnc1-c1nnn[n-]1)n1ccnc1 ZINC001574125839 949597964 /nfs/dbraw/zinc/59/79/64/949597964.db2.gz TYWZCRWXIFDERY-OLZOCXBDSA-N -1 1 384.448 1.057 20 0 GDADMM CC(C)C[C@@H](C(=O)N[C@H](C)CNc1nccnc1-c1nn[n-]n1)n1ccnc1 ZINC001574125839 949597980 /nfs/dbraw/zinc/59/79/80/949597980.db2.gz TYWZCRWXIFDERY-OLZOCXBDSA-N -1 1 384.448 1.057 20 0 GDADMM CC1(C(=O)N2CCCC[C@H]2[C@@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575546426 949609752 /nfs/dbraw/zinc/60/97/52/949609752.db2.gz QGHPZNYSTDQYEH-KBPBESRZSA-N -1 1 382.472 1.807 20 0 GDADMM C[C@@H](NC(=O)CCCC1CCOCC1)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575271124 949615731 /nfs/dbraw/zinc/61/57/31/949615731.db2.gz INNMDDRETPVGIB-CHWSQXEVSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@@H](NC(=O)CCCC1CCOCC1)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575271124 949615744 /nfs/dbraw/zinc/61/57/44/949615744.db2.gz INNMDDRETPVGIB-CHWSQXEVSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1C(C)(C)C1(C)C ZINC001573814157 949634727 /nfs/dbraw/zinc/63/47/27/949634727.db2.gz ATTOGSFNZOQTNA-NSHDSACASA-N -1 1 386.504 1.704 20 0 GDADMM C[C@H]1[C@H](NC(=O)CC2CC(F)(F)C2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575876224 949641785 /nfs/dbraw/zinc/64/17/85/949641785.db2.gz XKRCKDMJURPVQR-CMPLNLGQSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H]1[C@H](NC(=O)CC2CC(F)(F)C2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575876224 949641796 /nfs/dbraw/zinc/64/17/96/949641796.db2.gz XKRCKDMJURPVQR-CMPLNLGQSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H]1CCCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576168563 949645352 /nfs/dbraw/zinc/64/53/52/949645352.db2.gz BZFRGYAKTRMNIE-JAAXMTQOSA-N -1 1 382.472 1.742 20 0 GDADMM C[C@H]1CCCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576168563 949645360 /nfs/dbraw/zinc/64/53/60/949645360.db2.gz BZFRGYAKTRMNIE-JAAXMTQOSA-N -1 1 382.472 1.742 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CC12CCCC2 ZINC001573815216 949648813 /nfs/dbraw/zinc/64/88/13/949648813.db2.gz GWCFMQVHRBPROF-QWHCGFSZSA-N -1 1 384.488 1.602 20 0 GDADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H](C)NC(=O)CCCc1cccnc1 ZINC001575272630 949651565 /nfs/dbraw/zinc/65/15/65/949651565.db2.gz RJUCDRHSHWKBSS-OLZOCXBDSA-N -1 1 381.444 1.380 20 0 GDADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)CCCc1cccnc1 ZINC001575272630 949651583 /nfs/dbraw/zinc/65/15/83/949651583.db2.gz RJUCDRHSHWKBSS-OLZOCXBDSA-N -1 1 381.444 1.380 20 0 GDADMM C[C@H](CC(=O)N(C)CCN(C)c1cncc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001574477340 949651919 /nfs/dbraw/zinc/65/19/19/949651919.db2.gz QJMKVUXHTCGAQC-CQSZACIVSA-N -1 1 380.456 1.745 20 0 GDADMM C[C@H](CC(=O)N(C)CCN(C)c1cncc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001574477340 949651936 /nfs/dbraw/zinc/65/19/36/949651936.db2.gz QJMKVUXHTCGAQC-CQSZACIVSA-N -1 1 380.456 1.745 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C1CC(F)(F)C1 ZINC001573815616 949656656 /nfs/dbraw/zinc/65/66/56/949656656.db2.gz JKLCMQJVYVKSCH-LLVKDONJSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C1CC(F)(F)C1 ZINC001573815616 949656675 /nfs/dbraw/zinc/65/66/75/949656675.db2.gz JKLCMQJVYVKSCH-LLVKDONJSA-N -1 1 380.403 1.645 20 0 GDADMM CC1(C(=O)N2CCC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)CC(F)(F)C1 ZINC001575548310 949669520 /nfs/dbraw/zinc/66/95/20/949669520.db2.gz ZUDADXLSIZRCMQ-JTQLQIEISA-N -1 1 378.387 1.495 20 0 GDADMM CC1(C(=O)N2CCC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)CC(F)(F)C1 ZINC001575548310 949669532 /nfs/dbraw/zinc/66/95/32/949669532.db2.gz ZUDADXLSIZRCMQ-JTQLQIEISA-N -1 1 378.387 1.495 20 0 GDADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H](C)NC(=O)CCCc1ccccn1 ZINC001575273796 949672330 /nfs/dbraw/zinc/67/23/30/949672330.db2.gz YDHKPYRJXSPBEE-OLZOCXBDSA-N -1 1 381.444 1.380 20 0 GDADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)CCCc1ccccn1 ZINC001575273796 949672344 /nfs/dbraw/zinc/67/23/44/949672344.db2.gz YDHKPYRJXSPBEE-OLZOCXBDSA-N -1 1 381.444 1.380 20 0 GDADMM C[C@H](CC(=O)N(C)CCCN(C)c1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCCO1 ZINC001574477968 949689538 /nfs/dbraw/zinc/68/95/38/949689538.db2.gz WNSKLPQRRDMYMQ-KGLIPLIRSA-N -1 1 388.476 1.147 20 0 GDADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCCC12CC2 ZINC001573817291 949698335 /nfs/dbraw/zinc/69/83/35/949698335.db2.gz ZETISFZLXPEKOG-STQMWFEESA-N -1 1 384.488 1.602 20 0 GDADMM C[C@@H]1[C@H](NC(=O)COC2CCCC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575881311 949718733 /nfs/dbraw/zinc/71/87/33/949718733.db2.gz XHKFSLCPQIMJJE-TZMCWYRMSA-N -1 1 386.460 1.089 20 0 GDADMM C[C@@H]1[C@H](NC(=O)COC2CCCC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575881311 949718753 /nfs/dbraw/zinc/71/87/53/949718753.db2.gz XHKFSLCPQIMJJE-TZMCWYRMSA-N -1 1 386.460 1.089 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H](CN(C)c2cncc(-c3nnn[n-]3)n2)C1)C1CC1 ZINC001574478774 949719484 /nfs/dbraw/zinc/71/94/84/949719484.db2.gz ALCKZVLMUJRNMN-ZIAGYGMSSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H](CN(C)c2cncc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001574478774 949719500 /nfs/dbraw/zinc/71/95/00/949719500.db2.gz ALCKZVLMUJRNMN-ZIAGYGMSSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H]1CCCC[C@H]1C(=O)N1CCC(N(C)c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576170604 949728896 /nfs/dbraw/zinc/72/88/96/949728896.db2.gz MGSKSNNPMUBQIT-UKRRQHHQSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCCC[C@H]1C(=O)N1CCC(N(C)c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576170604 949728913 /nfs/dbraw/zinc/72/89/13/949728913.db2.gz MGSKSNNPMUBQIT-UKRRQHHQSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001574960478 949729768 /nfs/dbraw/zinc/72/97/68/949729768.db2.gz XLZRJBKNMZSOQI-FKTZTGRPSA-N -1 1 381.893 1.964 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001574960478 949729790 /nfs/dbraw/zinc/72/97/90/949729790.db2.gz XLZRJBKNMZSOQI-FKTZTGRPSA-N -1 1 381.893 1.964 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001574136736 949749608 /nfs/dbraw/zinc/74/96/08/949749608.db2.gz QNEUJLNDWMQDGL-KFWWJZLASA-N -1 1 384.488 1.909 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001574136736 949749621 /nfs/dbraw/zinc/74/96/21/949749621.db2.gz QNEUJLNDWMQDGL-KFWWJZLASA-N -1 1 384.488 1.909 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001574137755 949766625 /nfs/dbraw/zinc/76/66/25/949766625.db2.gz XEOGJWUJXORQHY-DZGCQCFKSA-N -1 1 386.504 1.800 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@H]1CCC(F)(F)C1)Nc1nccnc1-c1nnn[n-]1 ZINC001574718188 949767069 /nfs/dbraw/zinc/76/70/69/949767069.db2.gz ZDVNQODPGVBMIR-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@H]1CCC(F)(F)C1)Nc1nccnc1-c1nn[n-]n1 ZINC001574718188 949767086 /nfs/dbraw/zinc/76/70/86/949767086.db2.gz ZDVNQODPGVBMIR-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@]1(C)CCCOC1 ZINC001575559871 949767072 /nfs/dbraw/zinc/76/70/72/949767072.db2.gz YMLCLWIPRMIGBR-SGTLLEGYSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@]1(C)CCCOC1 ZINC001575559871 949767088 /nfs/dbraw/zinc/76/70/88/949767088.db2.gz YMLCLWIPRMIGBR-SGTLLEGYSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@@H]1CCCN(C(=O)COC(C)(C)C)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576171793 949781737 /nfs/dbraw/zinc/78/17/37/949781737.db2.gz SKFVFDHWLRQWJJ-OLZOCXBDSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H]1CCCN(C(=O)COC(C)(C)C)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576171793 949781753 /nfs/dbraw/zinc/78/17/53/949781753.db2.gz SKFVFDHWLRQWJJ-OLZOCXBDSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccncc1 ZINC001574481521 949785552 /nfs/dbraw/zinc/78/55/52/949785552.db2.gz QSIZGZLPLNNTGT-TZMCWYRMSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccncc1 ZINC001574481521 949785569 /nfs/dbraw/zinc/78/55/69/949785569.db2.gz QSIZGZLPLNNTGT-TZMCWYRMSA-N -1 1 379.428 1.258 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CCCOCC1 ZINC001573822436 949793580 /nfs/dbraw/zinc/79/35/80/949793580.db2.gz JHNDSUSQHSBYQC-OLZOCXBDSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CCCOCC1 ZINC001573822436 949793613 /nfs/dbraw/zinc/79/36/13/949793613.db2.gz JHNDSUSQHSBYQC-OLZOCXBDSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@H](CNC(=O)c1[nH]cnc1C(C)(C)C)CNc1nccnc1-c1nnn[n-]1 ZINC001574965564 949799198 /nfs/dbraw/zinc/79/91/98/949799198.db2.gz GYDTZTAGBBWFEB-JTQLQIEISA-N -1 1 384.448 1.155 20 0 GDADMM C[C@H](CNC(=O)c1[nH]cnc1C(C)(C)C)CNc1nccnc1-c1nn[n-]n1 ZINC001574965564 949799213 /nfs/dbraw/zinc/79/92/13/949799213.db2.gz GYDTZTAGBBWFEB-JTQLQIEISA-N -1 1 384.448 1.155 20 0 GDADMM C[C@H](CNC(=O)c1c(F)cccc1Cl)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574965792 949818187 /nfs/dbraw/zinc/81/81/87/949818187.db2.gz LYHHCGQNTWYJSI-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1c(F)cccc1Cl)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574965792 949818207 /nfs/dbraw/zinc/81/82/07/949818207.db2.gz LYHHCGQNTWYJSI-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CN(C)C(=O)CCc1ccc(F)cc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574721500 949821208 /nfs/dbraw/zinc/82/12/08/949821208.db2.gz MOCFNXNIDWBVFL-LBPRGKRZSA-N -1 1 384.419 1.109 20 0 GDADMM C[C@@H](CNC(=O)c1c(F)cc(F)cc1F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574966003 949835773 /nfs/dbraw/zinc/83/57/73/949835773.db2.gz RMOPADYLJSFNAZ-ZETCQYMHSA-N -1 1 378.318 1.304 20 0 GDADMM C[C@@H](CNC(=O)c1c(F)cc(F)cc1F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574966003 949835797 /nfs/dbraw/zinc/83/57/97/949835797.db2.gz RMOPADYLJSFNAZ-ZETCQYMHSA-N -1 1 378.318 1.304 20 0 GDADMM CC(C)(C)C1CC(C(=O)NC[C@H]2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001573823912 949845617 /nfs/dbraw/zinc/84/56/17/949845617.db2.gz BINRCIKOQRVJPQ-VXGQWTEUSA-N -1 1 398.515 1.848 20 0 GDADMM CC(C)(C)C12CC(C(=O)N[C@H]3C[C@@H](Nc4nccnc4-c4nnn[n-]4)C3)(C1)C2 ZINC001573823908 949846323 /nfs/dbraw/zinc/84/63/23/949846323.db2.gz BFLIRDZLHIREHN-ORMMXULVSA-N -1 1 382.472 1.932 20 0 GDADMM CC(C)(C)C12CC(C(=O)N[C@H]3C[C@@H](Nc4nccnc4-c4nn[n-]n4)C3)(C1)C2 ZINC001573823908 949846337 /nfs/dbraw/zinc/84/63/37/949846337.db2.gz BFLIRDZLHIREHN-ORMMXULVSA-N -1 1 382.472 1.932 20 0 GDADMM C[C@H](NC(=O)COCC1CC1)[C@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575283131 949858525 /nfs/dbraw/zinc/85/85/25/949858525.db2.gz NNEDMLVTIITNRL-YUMQZZPRSA-N -1 1 385.881 1.708 20 0 GDADMM CC(C)(C)C1CC(C(=O)N2CCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001573825449 949878884 /nfs/dbraw/zinc/87/88/84/949878884.db2.gz WDRRDSUNBSPJQY-JXQTWKCFSA-N -1 1 384.488 1.554 20 0 GDADMM CC(C)(C)C1CC(C(=O)NC[C@@H]2CCCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001573825409 949880587 /nfs/dbraw/zinc/88/05/87/949880587.db2.gz URWCNQGWRQJUMG-RUXDESIVSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)C1CC(C(=O)NC[C@@H]2CCCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001573825409 949880611 /nfs/dbraw/zinc/88/06/11/949880611.db2.gz URWCNQGWRQJUMG-RUXDESIVSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)[C@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC001573829127 949943751 /nfs/dbraw/zinc/94/37/51/949943751.db2.gz WKHPLQFGONDMQU-CYBMUJFWSA-N -1 1 383.449 1.832 20 0 GDADMM CC(C)(C)[C@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC001573829127 949943777 /nfs/dbraw/zinc/94/37/77/949943777.db2.gz WKHPLQFGONDMQU-CYBMUJFWSA-N -1 1 383.449 1.832 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccsn2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576180467 949953577 /nfs/dbraw/zinc/95/35/77/949953577.db2.gz IIUKFHFCZRZGGJ-MFKMUULPSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccsn2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576180467 949953598 /nfs/dbraw/zinc/95/35/98/949953598.db2.gz IIUKFHFCZRZGGJ-MFKMUULPSA-N -1 1 385.457 1.466 20 0 GDADMM CC(C)(C)/C=C/C(=O)N1CC[C@@H]2[C@@H](CCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573829406 949957048 /nfs/dbraw/zinc/95/70/48/949957048.db2.gz YYYGHCHDVHAWSJ-ZDSVCRJJSA-N -1 1 382.472 1.686 20 0 GDADMM CC(C)(C)/C=C/C(=O)N1CC[C@@H]2[C@@H](CCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573829406 949957065 /nfs/dbraw/zinc/95/70/65/949957065.db2.gz YYYGHCHDVHAWSJ-ZDSVCRJJSA-N -1 1 382.472 1.686 20 0 GDADMM CC1(C)CN(c2nccnc2-c2nnn[n-]2)C[C@@H]1NC(=O)C1(C)CCCCC1 ZINC001575572298 949975190 /nfs/dbraw/zinc/97/51/90/949975190.db2.gz FHUHTQACRYNVNO-ZDUSSCGKSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1NC(=O)C1(C)CCCCC1 ZINC001575572298 949975205 /nfs/dbraw/zinc/97/52/05/949975205.db2.gz FHUHTQACRYNVNO-ZDUSSCGKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1)c1ccco1 ZINC001574490146 949982342 /nfs/dbraw/zinc/98/23/42/949982342.db2.gz NNQABCOKLFIVMK-AGIUHOORSA-N -1 1 380.412 1.233 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1)c1ccco1 ZINC001574490146 949982359 /nfs/dbraw/zinc/98/23/59/949982359.db2.gz NNQABCOKLFIVMK-AGIUHOORSA-N -1 1 380.412 1.233 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1cccc(Cl)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574728460 949985088 /nfs/dbraw/zinc/98/50/88/949985088.db2.gz APAYMVIISLSOAC-NSHDSACASA-N -1 1 386.847 1.812 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1cccc(Cl)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574728460 949985102 /nfs/dbraw/zinc/98/51/02/949985102.db2.gz APAYMVIISLSOAC-NSHDSACASA-N -1 1 386.847 1.812 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2ccc(F)cc2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575891080 949985087 /nfs/dbraw/zinc/98/50/87/949985087.db2.gz DSTXTYPXBQTEBR-FZMZJTMJSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2ccc(F)cc2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575891080 949985108 /nfs/dbraw/zinc/98/51/08/949985108.db2.gz DSTXTYPXBQTEBR-FZMZJTMJSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2ccccc2O)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575891092 949985539 /nfs/dbraw/zinc/98/55/39/949985539.db2.gz DWPTXUUPONKQMP-DGCLKSJQSA-N -1 1 380.412 1.150 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001574490477 949995126 /nfs/dbraw/zinc/99/51/26/949995126.db2.gz SNVXYLMGPDIKSE-BPUTZDHNSA-N -1 1 390.451 1.640 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001574490477 949995149 /nfs/dbraw/zinc/99/51/49/949995149.db2.gz SNVXYLMGPDIKSE-BPUTZDHNSA-N -1 1 390.451 1.640 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ccc(Cl)s1)Nc1nccnc1-c1nnn[n-]1 ZINC001574728948 950011047 /nfs/dbraw/zinc/01/10/47/950011047.db2.gz LNHPKAFXJPHKJS-VIFPVBQESA-N -1 1 392.876 1.873 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ccc(Cl)s1)Nc1nccnc1-c1nn[n-]n1 ZINC001574728948 950011066 /nfs/dbraw/zinc/01/10/66/950011066.db2.gz LNHPKAFXJPHKJS-VIFPVBQESA-N -1 1 392.876 1.873 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ccc2c(c1)CCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574729616 950022181 /nfs/dbraw/zinc/02/21/81/950022181.db2.gz PDCPZMSREYGRFE-ZDUSSCGKSA-N -1 1 392.467 1.069 20 0 GDADMM C[C@@H](CC(=O)N[C@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001574491159 950024887 /nfs/dbraw/zinc/02/48/87/950024887.db2.gz AGKCSHOJUNFINZ-SCLBCKFNSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](CC(=O)N[C@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001574491159 950024911 /nfs/dbraw/zinc/02/49/11/950024911.db2.gz AGKCSHOJUNFINZ-SCLBCKFNSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H]1CCN(C(=O)CCC(F)F)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576182042 950034752 /nfs/dbraw/zinc/03/47/52/950034752.db2.gz KQOIOYVWKHNIBM-QWRGUYRKSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H]1CCN(C(=O)CCC(F)F)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576182042 950034769 /nfs/dbraw/zinc/03/47/69/950034769.db2.gz KQOIOYVWKHNIBM-QWRGUYRKSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ccc(F)c(F)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001574731011 950043078 /nfs/dbraw/zinc/04/30/78/950043078.db2.gz VLCCDVMOZXQSNA-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ccc(F)c(F)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001574731011 950043100 /nfs/dbraw/zinc/04/31/00/950043100.db2.gz VLCCDVMOZXQSNA-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574491792 950043052 /nfs/dbraw/zinc/04/30/52/950043052.db2.gz GDCMJRAZPKWVBY-UWVGGRQHSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(C)CC(=O)NC1(CCO)CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573835238 950043797 /nfs/dbraw/zinc/04/37/97/950043797.db2.gz RVUQTGHPZYROLO-UHFFFAOYSA-N -1 1 378.502 1.417 20 0 GDADMM CC(C)(C)CC(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CCCCC1 ZINC001573835539 950052264 /nfs/dbraw/zinc/05/22/64/950052264.db2.gz XQHXWOIRYFOUFG-AWEZNQCLSA-N -1 1 386.504 1.992 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1cc[nH]n1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574731548 950052486 /nfs/dbraw/zinc/05/24/86/950052486.db2.gz WYSNOOCCZIOTAA-SSDOTTSWSA-N -1 1 381.853 1.201 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cocn2)[C@@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001576182761 950066393 /nfs/dbraw/zinc/06/63/93/950066393.db2.gz PFZZJUVZCMZCEY-SMDDNHRTSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cocn2)[C@@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001576182761 950066415 /nfs/dbraw/zinc/06/64/15/950066415.db2.gz PFZZJUVZCMZCEY-SMDDNHRTSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@H](CN(C)C(=O)Cn1ccnc1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574733008 950092463 /nfs/dbraw/zinc/09/24/63/950092463.db2.gz PPZLLWJPNHNGIA-MRVPVSSYSA-N -1 1 381.853 1.132 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C)C1CC1 ZINC001574492700 950096133 /nfs/dbraw/zinc/09/61/33/950096133.db2.gz ORASLKQCJWYOQO-DOMZBBRYSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C)C1CC1 ZINC001574492700 950096157 /nfs/dbraw/zinc/09/61/57/950096157.db2.gz ORASLKQCJWYOQO-DOMZBBRYSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)nn3)CCCC2)CCOCC1 ZINC001575582049 950100804 /nfs/dbraw/zinc/10/08/04/950100804.db2.gz CRRKGZDCLUITJZ-UHFFFAOYSA-N -1 1 386.460 1.314 20 0 GDADMM CC1(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)nn3)CCCC2)CCOCC1 ZINC001575582049 950100815 /nfs/dbraw/zinc/10/08/15/950100815.db2.gz CRRKGZDCLUITJZ-UHFFFAOYSA-N -1 1 386.460 1.314 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(CF)CCC2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576183905 950106068 /nfs/dbraw/zinc/10/60/68/950106068.db2.gz SCEUUCRFKFXFCP-CHWSQXEVSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(CF)CCC2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576183905 950106077 /nfs/dbraw/zinc/10/60/77/950106077.db2.gz SCEUUCRFKFXFCP-CHWSQXEVSA-N -1 1 388.451 1.693 20 0 GDADMM CC1(C(=O)NCC2(Nc3nccnc3-c3nnn[n-]3)CCCC2)CC(F)(F)C1 ZINC001575582248 950106601 /nfs/dbraw/zinc/10/66/01/950106601.db2.gz HFASFDGVIOMPLC-UHFFFAOYSA-N -1 1 392.414 1.933 20 0 GDADMM CC1(C(=O)NCC2(Nc3nccnc3-c3nn[n-]n3)CCCC2)CC(F)(F)C1 ZINC001575582248 950106620 /nfs/dbraw/zinc/10/66/20/950106620.db2.gz HFASFDGVIOMPLC-UHFFFAOYSA-N -1 1 392.414 1.933 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cc(F)c[nH]2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576183987 950108925 /nfs/dbraw/zinc/10/89/25/950108925.db2.gz UUYHAEOGIUTPNB-HZMBPMFUSA-N -1 1 385.407 1.477 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cc(F)c[nH]2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576183987 950108945 /nfs/dbraw/zinc/10/89/45/950108945.db2.gz UUYHAEOGIUTPNB-HZMBPMFUSA-N -1 1 385.407 1.477 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccc[nH]2)[C@@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576184055 950114286 /nfs/dbraw/zinc/11/42/86/950114286.db2.gz VNPOPCOGGVOWRA-GXTWGEPZSA-N -1 1 381.444 1.150 20 0 GDADMM CC(C)(C)CC(C)(C)C(=O)NC[C@@H](CO)Nc1cncc(-c2nnn[n-]2)n1 ZINC001573838432 950115752 /nfs/dbraw/zinc/11/57/52/950115752.db2.gz DCYIQDIZXNOCDW-NSHDSACASA-N -1 1 376.465 1.008 20 0 GDADMM CC(C)(C)CC(C)(C)C(=O)NC[C@@H](CO)Nc1cncc(-c2nn[n-]n2)n1 ZINC001573838432 950115761 /nfs/dbraw/zinc/11/57/61/950115761.db2.gz DCYIQDIZXNOCDW-NSHDSACASA-N -1 1 376.465 1.008 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(CF)CCC2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576184129 950120348 /nfs/dbraw/zinc/12/03/48/950120348.db2.gz UKXVSNWUEIULRL-OLZOCXBDSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(CF)CCC2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576184129 950120359 /nfs/dbraw/zinc/12/03/59/950120359.db2.gz UKXVSNWUEIULRL-OLZOCXBDSA-N -1 1 388.451 1.693 20 0 GDADMM CC1(C(=O)NC[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)CCCCC1 ZINC001575582732 950124904 /nfs/dbraw/zinc/12/49/04/950124904.db2.gz GKRAWHYQDJNLAY-AWEZNQCLSA-N -1 1 384.488 1.960 20 0 GDADMM CC1(C(=O)NC[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)CCCCC1 ZINC001575582732 950124914 /nfs/dbraw/zinc/12/49/14/950124914.db2.gz GKRAWHYQDJNLAY-AWEZNQCLSA-N -1 1 384.488 1.960 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ccoc2Cl)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575896358 950126425 /nfs/dbraw/zinc/12/64/25/950126425.db2.gz MDDJRNXKTYTNOA-KOLCDFICSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ccoc2Cl)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575896358 950126439 /nfs/dbraw/zinc/12/64/39/950126439.db2.gz MDDJRNXKTYTNOA-KOLCDFICSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccncc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574734484 950138054 /nfs/dbraw/zinc/13/80/54/950138054.db2.gz NUJCXLSVDLTCBQ-KWCYVHTRSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccncc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574734484 950138070 /nfs/dbraw/zinc/13/80/70/950138070.db2.gz NUJCXLSVDLTCBQ-KWCYVHTRSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@H]1CCN(C(=O)Cc2ccc[nH]2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576184911 950146206 /nfs/dbraw/zinc/14/62/06/950146206.db2.gz YBDRQZQDGUAWCT-QWHCGFSZSA-N -1 1 381.444 1.124 20 0 GDADMM C[C@H]1CCN(C(=O)Cc2ccc[nH]2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576184911 950146216 /nfs/dbraw/zinc/14/62/16/950146216.db2.gz YBDRQZQDGUAWCT-QWHCGFSZSA-N -1 1 381.444 1.124 20 0 GDADMM C[C@H]1CCN(C(=O)Cc2ccc[nH]2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576184912 950146822 /nfs/dbraw/zinc/14/68/22/950146822.db2.gz YBDRQZQDGUAWCT-STQMWFEESA-N -1 1 381.444 1.124 20 0 GDADMM C[C@H]1CCN(C(=O)Cc2ccc[nH]2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576184912 950146830 /nfs/dbraw/zinc/14/68/30/950146830.db2.gz YBDRQZQDGUAWCT-STQMWFEESA-N -1 1 381.444 1.124 20 0 GDADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1(CCF)CC1 ZINC001574154109 950166464 /nfs/dbraw/zinc/16/64/64/950166464.db2.gz BHEFHGZDGXDSLW-LBPRGKRZSA-N -1 1 376.440 1.161 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccsn2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576190832 950171392 /nfs/dbraw/zinc/17/13/92/950171392.db2.gz CCOLCVMMXXHZEI-MNOVXSKESA-N -1 1 385.457 1.324 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccsn2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576190832 950171402 /nfs/dbraw/zinc/17/14/02/950171402.db2.gz CCOLCVMMXXHZEI-MNOVXSKESA-N -1 1 385.457 1.324 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1ccco1 ZINC001574494785 950183116 /nfs/dbraw/zinc/18/31/16/950183116.db2.gz OKLSINBXMWCWPY-AAEUAGOBSA-N -1 1 382.428 1.172 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](CO)Nc1cnc(-c2nnn[n-]2)cn1)CC(C)(C)C ZINC001574494965 950193858 /nfs/dbraw/zinc/19/38/58/950193858.db2.gz QQDDBRRJIGIGEW-NEPJUHHUSA-N -1 1 376.465 1.008 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](CO)Nc1cnc(-c2nn[n-]n2)cn1)CC(C)(C)C ZINC001574494965 950193871 /nfs/dbraw/zinc/19/38/71/950193871.db2.gz QQDDBRRJIGIGEW-NEPJUHHUSA-N -1 1 376.465 1.008 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nn[nH]n2)nc1)NC(=O)c1ncccc1[O-] ZINC001574155497 950196662 /nfs/dbraw/zinc/19/66/62/950196662.db2.gz MHOJKMAZMLFYLP-ZDUSSCGKSA-N -1 1 382.428 1.619 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2occc2Cl)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575900699 950206039 /nfs/dbraw/zinc/20/60/39/950206039.db2.gz HRMNUTQCDFZQNB-KOLCDFICSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2occc2Cl)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575900699 950206063 /nfs/dbraw/zinc/20/60/63/950206063.db2.gz HRMNUTQCDFZQNB-KOLCDFICSA-N -1 1 388.819 1.690 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)Cc1cccs1 ZINC001574157637 950245780 /nfs/dbraw/zinc/24/57/80/950245780.db2.gz FSNGOBDEFCVWTR-GFCCVEGCSA-N -1 1 386.485 1.904 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)Cc1cccs1 ZINC001574157637 950245798 /nfs/dbraw/zinc/24/57/98/950245798.db2.gz FSNGOBDEFCVWTR-GFCCVEGCSA-N -1 1 386.485 1.904 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001573846695 950250102 /nfs/dbraw/zinc/25/01/02/950250102.db2.gz UQMUOPBYMNDDTK-BFHYXJOUSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001573846695 950250123 /nfs/dbraw/zinc/25/01/23/950250123.db2.gz UQMUOPBYMNDDTK-BFHYXJOUSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573846926 950252813 /nfs/dbraw/zinc/25/28/13/950252813.db2.gz WNGARJGVZYGVST-IGQOVBAYSA-N -1 1 384.488 1.458 20 0 GDADMM CC1(C(=O)NC[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CCCCCC1 ZINC001575589169 950258972 /nfs/dbraw/zinc/25/89/72/950258972.db2.gz VDTYTYMYJKKHKY-CQSZACIVSA-N -1 1 384.488 1.960 20 0 GDADMM CC1(C(=O)NC[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CCCCCC1 ZINC001575589169 950258992 /nfs/dbraw/zinc/25/89/92/950258992.db2.gz VDTYTYMYJKKHKY-CQSZACIVSA-N -1 1 384.488 1.960 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H]1CCC1(F)F ZINC001574157854 950260913 /nfs/dbraw/zinc/26/09/13/950260913.db2.gz JVSUYLNYCNSSOB-WDEREUQCSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H]1CCC1(F)F ZINC001574157854 950260934 /nfs/dbraw/zinc/26/09/34/950260934.db2.gz JVSUYLNYCNSSOB-WDEREUQCSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCC1)[C@H]1CCCO1 ZINC001574498181 950265442 /nfs/dbraw/zinc/26/54/42/950265442.db2.gz KWJHTDYXGLJYPG-CHWSQXEVSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2ncccc2[O-])CCCN1c1ccc(-c2nn[nH]n2)nc1 ZINC001575902501 950265585 /nfs/dbraw/zinc/26/55/85/950265585.db2.gz VVJWARCDEYKWBM-AAEUAGOBSA-N -1 1 380.412 1.150 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCC1)[C@H]1CCCO1 ZINC001574498181 950265463 /nfs/dbraw/zinc/26/54/63/950265463.db2.gz KWJHTDYXGLJYPG-CHWSQXEVSA-N -1 1 386.460 1.313 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CSC(C)C ZINC001574158324 950276696 /nfs/dbraw/zinc/27/66/96/950276696.db2.gz QVRFCPUUWSOUAC-LBPRGKRZSA-N -1 1 378.506 1.741 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CSC(C)C ZINC001574158324 950276715 /nfs/dbraw/zinc/27/67/15/950276715.db2.gz QVRFCPUUWSOUAC-LBPRGKRZSA-N -1 1 378.506 1.741 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCC1)n1cccc1 ZINC001574498682 950284325 /nfs/dbraw/zinc/28/43/25/950284325.db2.gz PMSLPPYOSGNHMB-ZDUSSCGKSA-N -1 1 381.444 1.560 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCC1)n1cccc1 ZINC001574498682 950284341 /nfs/dbraw/zinc/28/43/41/950284341.db2.gz PMSLPPYOSGNHMB-ZDUSSCGKSA-N -1 1 381.444 1.560 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cscn2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576193136 950284934 /nfs/dbraw/zinc/28/49/34/950284934.db2.gz SCDQCBBYZKBSHI-MNOVXSKESA-N -1 1 385.457 1.324 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cscn2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576193136 950284951 /nfs/dbraw/zinc/28/49/51/950284951.db2.gz SCDQCBBYZKBSHI-MNOVXSKESA-N -1 1 385.457 1.324 20 0 GDADMM CC(C)(C)OC(=O)CCCC(=O)Nc1ncc2c(c1-c1nn[n-]n1)COCC2 ZINC001573851208 950288300 /nfs/dbraw/zinc/28/83/00/950288300.db2.gz UVODLHBKVSKOIQ-UHFFFAOYSA-N -1 1 388.428 1.785 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@]1(C)CCCOC1 ZINC001574159325 950302992 /nfs/dbraw/zinc/30/29/92/950302992.db2.gz WILUKWWGUUGWAU-SCLBCKFNSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@]1(C)CCCOC1 ZINC001574159325 950303009 /nfs/dbraw/zinc/30/30/09/950303009.db2.gz WILUKWWGUUGWAU-SCLBCKFNSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@@H]([C@H](F)C(=O)Nc2n[nH]cc2-c2nnn[n-]2)C1 ZINC001573852374 950308297 /nfs/dbraw/zinc/30/82/97/950308297.db2.gz GFCOPKMNPLLYLZ-SCZZXKLOSA-N -1 1 380.384 1.123 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@@H]([C@H](F)C(=O)Nc2n[nH]cc2-c2nn[n-]n2)C1 ZINC001573852374 950308320 /nfs/dbraw/zinc/30/83/20/950308320.db2.gz GFCOPKMNPLLYLZ-SCZZXKLOSA-N -1 1 380.384 1.123 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1Cc2ccccc21 ZINC001574159739 950318565 /nfs/dbraw/zinc/31/85/65/950318565.db2.gz HXBKFZRIYKDTJT-HOCLYGCPSA-N -1 1 392.467 1.939 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1Cc2ccccc21 ZINC001574159739 950318583 /nfs/dbraw/zinc/31/85/83/950318583.db2.gz HXBKFZRIYKDTJT-HOCLYGCPSA-N -1 1 392.467 1.939 20 0 GDADMM CC1(C(=O)NC[C@@H]2COCCN2Cc2ccc(-c3nn[n-]n3)s2)CCCC1 ZINC001575593964 950323005 /nfs/dbraw/zinc/32/30/05/950323005.db2.gz IMYPYCCEFSKNNQ-CYBMUJFWSA-N -1 1 390.513 1.826 20 0 GDADMM C[C@@H]1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576194033 950325552 /nfs/dbraw/zinc/32/55/52/950325552.db2.gz XUGPXEKICYNVGQ-MRLBHPIUSA-N -1 1 382.472 1.599 20 0 GDADMM C[C@@H]1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576194033 950325571 /nfs/dbraw/zinc/32/55/71/950325571.db2.gz XUGPXEKICYNVGQ-MRLBHPIUSA-N -1 1 382.472 1.599 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001574160142 950330451 /nfs/dbraw/zinc/33/04/51/950330451.db2.gz LTEURWCEOHJLIU-MGPQQGTHSA-N -1 1 396.455 1.996 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001574160142 950330473 /nfs/dbraw/zinc/33/04/73/950330473.db2.gz LTEURWCEOHJLIU-MGPQQGTHSA-N -1 1 396.455 1.996 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCc1ccco1 ZINC001574160554 950340925 /nfs/dbraw/zinc/34/09/25/950340925.db2.gz NYYLIRKNBYVBTC-CYBMUJFWSA-N -1 1 384.444 1.825 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCc1ccco1 ZINC001574160554 950340950 /nfs/dbraw/zinc/34/09/50/950340950.db2.gz NYYLIRKNBYVBTC-CYBMUJFWSA-N -1 1 384.444 1.825 20 0 GDADMM C[C@H](CN(C)C(=O)c1c(F)cccc1Cl)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574744307 950352302 /nfs/dbraw/zinc/35/23/02/950352302.db2.gz YNXMWNFMVLHPCC-SECBINFHSA-N -1 1 390.810 1.444 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)c1ccco1 ZINC001574502258 950370678 /nfs/dbraw/zinc/37/06/78/950370678.db2.gz LCARZNKRODYSKH-OLZOCXBDSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)c1ccco1 ZINC001574502258 950370697 /nfs/dbraw/zinc/37/06/97/950370697.db2.gz LCARZNKRODYSKH-OLZOCXBDSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1)c1ccccc1 ZINC001574502440 950378372 /nfs/dbraw/zinc/37/83/72/950378372.db2.gz NPPAUNRVMUKJIT-GOEBONIOSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1)c1ccccc1 ZINC001574502440 950378400 /nfs/dbraw/zinc/37/84/00/950378400.db2.gz NPPAUNRVMUKJIT-GOEBONIOSA-N -1 1 392.467 1.936 20 0 GDADMM CC(C)(C)OC(=O)N1CCO[C@@](C)(CNC(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001573856694 950395103 /nfs/dbraw/zinc/39/51/03/950395103.db2.gz GOXRSWNNENWSGC-KRWDZBQOSA-N -1 1 392.416 1.216 20 0 GDADMM CC(C)(C)OC(=O)N1CCO[C@@](C)(CNC(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001573856694 950395126 /nfs/dbraw/zinc/39/51/26/950395126.db2.gz GOXRSWNNENWSGC-KRWDZBQOSA-N -1 1 392.416 1.216 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccccc1O ZINC001574163181 950417307 /nfs/dbraw/zinc/41/73/07/950417307.db2.gz QOZUXMDEBVYUEB-LBPRGKRZSA-N -1 1 382.428 1.619 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccccc1O ZINC001574163181 950417318 /nfs/dbraw/zinc/41/73/18/950417318.db2.gz QOZUXMDEBVYUEB-LBPRGKRZSA-N -1 1 382.428 1.619 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CC1CCOCC1 ZINC001574163153 950417945 /nfs/dbraw/zinc/41/79/45/950417945.db2.gz QFCFJUPVELNTEX-AWEZNQCLSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CC1CCOCC1 ZINC001574163153 950417962 /nfs/dbraw/zinc/41/79/62/950417962.db2.gz QFCFJUPVELNTEX-AWEZNQCLSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@H](CNc1ncccc1-c1nn[nH]n1)NC(=O)c1ncccc1[O-] ZINC001574163554 950427103 /nfs/dbraw/zinc/42/71/03/950427103.db2.gz VXDHSYMDCWHQCS-GFCCVEGCSA-N -1 1 382.428 1.619 20 0 GDADMM C[C@H](CC(=O)NCc1ccnc(-c2nnn[n-]2)c1)n1cc(Br)cn1 ZINC001574506094 950427670 /nfs/dbraw/zinc/42/76/70/950427670.db2.gz BESUQTGHOWQTCF-SECBINFHSA-N -1 1 391.233 1.488 20 0 GDADMM C[C@H](CC(=O)NCc1ccnc(-c2nn[n-]n2)c1)n1cc(Br)cn1 ZINC001574506094 950427691 /nfs/dbraw/zinc/42/76/91/950427691.db2.gz BESUQTGHOWQTCF-SECBINFHSA-N -1 1 391.233 1.488 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574506420 950433043 /nfs/dbraw/zinc/43/30/43/950433043.db2.gz CQIUDNVDCVFCNA-IIAWOOMASA-N -1 1 392.467 1.579 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccc(Cl)[nH]1 ZINC001574163598 950433425 /nfs/dbraw/zinc/43/34/25/950433425.db2.gz WSDIREMMYMDYIY-SNVBAGLBSA-N -1 1 389.851 1.895 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccc(Cl)[nH]1 ZINC001574163598 950433440 /nfs/dbraw/zinc/43/34/40/950433440.db2.gz WSDIREMMYMDYIY-SNVBAGLBSA-N -1 1 389.851 1.895 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H](C)c1ccco1 ZINC001574163761 950434049 /nfs/dbraw/zinc/43/40/49/950434049.db2.gz XQVQNFWAIGSSFU-CHWSQXEVSA-N -1 1 384.444 1.996 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H](C)c1ccco1 ZINC001574163761 950434064 /nfs/dbraw/zinc/43/40/64/950434064.db2.gz XQVQNFWAIGSSFU-CHWSQXEVSA-N -1 1 384.444 1.996 20 0 GDADMM CC(C)(C)OC(=O)NCc1cc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)ccn1 ZINC001573861049 950434864 /nfs/dbraw/zinc/43/48/64/950434864.db2.gz QLFSTCQDKAWPFI-UHFFFAOYSA-N -1 1 385.388 1.262 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)[C@H]1CCCO1 ZINC001574506466 950435380 /nfs/dbraw/zinc/43/53/80/950435380.db2.gz DXBKVYPIICIRKV-GUIRCDHDSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)[C@H]1CCCO1 ZINC001574506466 950435396 /nfs/dbraw/zinc/43/53/96/950435396.db2.gz DXBKVYPIICIRKV-GUIRCDHDSA-N -1 1 386.460 1.169 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H](CNC(=O)Nc1ccnc(-c2nnn[n-]2)c1)C1CC1 ZINC001573861008 950435988 /nfs/dbraw/zinc/43/59/88/950435988.db2.gz OTDXDCXPIAUPHQ-ZDUSSCGKSA-N -1 1 388.432 1.687 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H](CNC(=O)Nc1ccnc(-c2nn[n-]n2)c1)C1CC1 ZINC001573861008 950436008 /nfs/dbraw/zinc/43/60/08/950436008.db2.gz OTDXDCXPIAUPHQ-ZDUSSCGKSA-N -1 1 388.432 1.687 20 0 GDADMM CC(C)CC1(C(=O)N2CCCN(c3cncc(-c4nnn[n-]4)n3)CC2)CCC1 ZINC001574165238 950442248 /nfs/dbraw/zinc/44/22/48/950442248.db2.gz AKLGVDAGBCPEPM-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)CC1(C(=O)N2CCCN(c3cncc(-c4nn[n-]n4)n3)CC2)CCC1 ZINC001574165238 950442259 /nfs/dbraw/zinc/44/22/59/950442259.db2.gz AKLGVDAGBCPEPM-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)cc1 ZINC001573861343 950444911 /nfs/dbraw/zinc/44/49/11/950444911.db2.gz ZJIDLFMOPIJLFA-UHFFFAOYSA-N -1 1 384.400 1.867 20 0 GDADMM CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)cc1 ZINC001573861343 950444922 /nfs/dbraw/zinc/44/49/22/950444922.db2.gz ZJIDLFMOPIJLFA-UHFFFAOYSA-N -1 1 384.400 1.867 20 0 GDADMM C[C@H](CC(=O)NCCN(C)c1ccnc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001574508123 950466566 /nfs/dbraw/zinc/46/65/66/950466566.db2.gz IVLIUNMNRVWXLZ-GFCCVEGCSA-N -1 1 384.419 1.542 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)[C@H]1CCCO1 ZINC001574508093 950469247 /nfs/dbraw/zinc/46/92/47/950469247.db2.gz MKNZXWPJZNSKTQ-IGQOVBAYSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)[C@H]1CCCO1 ZINC001574508093 950469261 /nfs/dbraw/zinc/46/92/61/950469261.db2.gz MKNZXWPJZNSKTQ-IGQOVBAYSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@H](CC(=O)N[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1)c1cccc(F)c1 ZINC001574508540 950480815 /nfs/dbraw/zinc/48/08/15/950480815.db2.gz PESJSWVKLDGWHS-NEPJUHHUSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H](CC(=O)N[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1)c1cccc(F)c1 ZINC001574508540 950480826 /nfs/dbraw/zinc/48/08/26/950480826.db2.gz PESJSWVKLDGWHS-NEPJUHHUSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@]1(C(=O)N[C@H]2CCN(c3nc(-c4nn[n-]n4)c(Cl)s3)C2)CCOC1 ZINC001575605745 950482126 /nfs/dbraw/zinc/48/21/26/950482126.db2.gz RRTOKCMKFYNSTE-RTHLEPHNSA-N -1 1 383.865 1.098 20 0 GDADMM CC(C)(C)OC(=O)[C@@]12COC[C@@H]1CN(c1ccc(Cl)c(-c3nnn[n-]3)n1)C2 ZINC001573863621 950484286 /nfs/dbraw/zinc/48/42/86/950484286.db2.gz MTDYZLSDRVCEII-BTDLBPIBSA-N -1 1 392.847 1.710 20 0 GDADMM CC(C)(C)OC(=O)[C@@]12COC[C@@H]1CN(c1ccc(Cl)c(-c3nn[n-]n3)n1)C2 ZINC001573863621 950484294 /nfs/dbraw/zinc/48/42/94/950484294.db2.gz MTDYZLSDRVCEII-BTDLBPIBSA-N -1 1 392.847 1.710 20 0 GDADMM C[C@@]1(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CCc2ccccc21 ZINC001575607018 950499893 /nfs/dbraw/zinc/49/98/93/950499893.db2.gz FKJCJFXJIAWLOM-ARGWCVDVSA-N -1 1 390.451 1.620 20 0 GDADMM C[C@@]1(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CCc2ccccc21 ZINC001575607018 950499905 /nfs/dbraw/zinc/49/99/05/950499905.db2.gz FKJCJFXJIAWLOM-ARGWCVDVSA-N -1 1 390.451 1.620 20 0 GDADMM C[C@@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574995676 950517880 /nfs/dbraw/zinc/51/78/80/950517880.db2.gz GMXSVXUQJZLAAH-SNVBAGLBSA-N -1 1 384.448 1.155 20 0 GDADMM C[C@@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574995676 950517886 /nfs/dbraw/zinc/51/78/86/950517886.db2.gz GMXSVXUQJZLAAH-SNVBAGLBSA-N -1 1 384.448 1.155 20 0 GDADMM CC(C)(C)OCC(=O)N1CCCC[C@@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001573867164 950525143 /nfs/dbraw/zinc/52/51/43/950525143.db2.gz ROCQCWWTYLOZLC-CYBMUJFWSA-N -1 1 388.476 1.077 20 0 GDADMM C[C@@H](CC(=O)NCCN(C)c1cncc(-c2nnn[n-]2)n1)c1cccc(F)c1 ZINC001574509998 950533889 /nfs/dbraw/zinc/53/38/89/950533889.db2.gz XYTWHHTWFNBTGO-LBPRGKRZSA-N -1 1 384.419 1.542 20 0 GDADMM C[C@@H](CC(=O)NCCN(C)c1cncc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001574509998 950533906 /nfs/dbraw/zinc/53/39/06/950533906.db2.gz XYTWHHTWFNBTGO-LBPRGKRZSA-N -1 1 384.419 1.542 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCC1CCOCC1 ZINC001575917163 950558496 /nfs/dbraw/zinc/55/84/96/950558496.db2.gz UYGYGRHFCOWJDM-GXTWGEPZSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCC1CCOCC1 ZINC001575917163 950558514 /nfs/dbraw/zinc/55/85/14/950558514.db2.gz UYGYGRHFCOWJDM-GXTWGEPZSA-N -1 1 386.460 1.265 20 0 GDADMM CC(C)(C)OCC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001573869269 950559412 /nfs/dbraw/zinc/55/94/12/950559412.db2.gz NLVSLBAXNFZKMN-YHWZYXNKSA-N -1 1 386.460 1.088 20 0 GDADMM CC(C)(C)OCC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001573869269 950559431 /nfs/dbraw/zinc/55/94/31/950559431.db2.gz NLVSLBAXNFZKMN-YHWZYXNKSA-N -1 1 386.460 1.088 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc(C(F)F)o1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574754100 950560571 /nfs/dbraw/zinc/56/05/71/950560571.db2.gz XXTIREZEJNFVCC-MRVPVSSYSA-N -1 1 378.343 1.182 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C)c1ccccc1 ZINC001574511631 950565530 /nfs/dbraw/zinc/56/55/30/950565530.db2.gz PEMRBOATSLOVSM-IIAWOOMASA-N -1 1 392.467 1.791 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)NC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575615610 950568803 /nfs/dbraw/zinc/56/88/03/950568803.db2.gz CWVROYAVERSNAZ-LBPRGKRZSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575615610 950568839 /nfs/dbraw/zinc/56/88/39/950568839.db2.gz CWVROYAVERSNAZ-LBPRGKRZSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C(C(=O)NCC[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1(C)C ZINC001575615815 950578341 /nfs/dbraw/zinc/57/83/41/950578341.db2.gz IKLMZVQQBTVCQN-GFCCVEGCSA-N -1 1 384.488 1.672 20 0 GDADMM CC1(C)C(C(=O)NCC[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1(C)C ZINC001575615815 950578353 /nfs/dbraw/zinc/57/83/53/950578353.db2.gz IKLMZVQQBTVCQN-GFCCVEGCSA-N -1 1 384.488 1.672 20 0 GDADMM CC1(C)C(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nnn[n-]3)n2)C1(C)C ZINC001575616158 950579325 /nfs/dbraw/zinc/57/93/25/950579325.db2.gz MQVFAXGPYJVDFX-WZRBSPASSA-N -1 1 382.472 1.565 20 0 GDADMM CC1(C)C(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nn[n-]n3)n2)C1(C)C ZINC001575616158 950579341 /nfs/dbraw/zinc/57/93/41/950579341.db2.gz MQVFAXGPYJVDFX-WZRBSPASSA-N -1 1 382.472 1.565 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575616222 950586263 /nfs/dbraw/zinc/58/62/63/950586263.db2.gz OAASXXYQDRTIQX-UHFFFAOYSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575616222 950586276 /nfs/dbraw/zinc/58/62/76/950586276.db2.gz OAASXXYQDRTIQX-UHFFFAOYSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)C1CCC(F)(F)CC1 ZINC001575918164 950586740 /nfs/dbraw/zinc/58/67/40/950586740.db2.gz AUHXRPVEKIMXIV-ZYHUDNBSSA-N -1 1 392.414 1.305 20 0 GDADMM CC1(C)C(C(=O)N2C[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@@]3(C)C2)C1(C)C ZINC001575617940 950605397 /nfs/dbraw/zinc/60/53/97/950605397.db2.gz DUMKCTXEEMDIMF-ODXCJYRJSA-N -1 1 396.499 1.624 20 0 GDADMM CC1(C)C(C(=O)N2C[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@@]3(C)C2)C1(C)C ZINC001575617940 950605419 /nfs/dbraw/zinc/60/54/19/950605419.db2.gz DUMKCTXEEMDIMF-ODXCJYRJSA-N -1 1 396.499 1.624 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H]1C)n1cccc1 ZINC001574513339 950605813 /nfs/dbraw/zinc/60/58/13/950605813.db2.gz OWZLQRPJSFOTLN-MJBXVCDLSA-N -1 1 381.444 1.193 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H]1C)n1cccc1 ZINC001574513339 950605826 /nfs/dbraw/zinc/60/58/26/950605826.db2.gz OWZLQRPJSFOTLN-MJBXVCDLSA-N -1 1 381.444 1.193 20 0 GDADMM CC(C)CCC(=O)NC1(C2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)CC1 ZINC001574173939 950610825 /nfs/dbraw/zinc/61/08/25/950610825.db2.gz BWKMBCPEHLZDMF-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CCC(=O)NC1(C2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)CC1 ZINC001574173939 950610832 /nfs/dbraw/zinc/61/08/32/950610832.db2.gz BWKMBCPEHLZDMF-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C)OCC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCCCC1 ZINC001573871317 950613871 /nfs/dbraw/zinc/61/38/71/950613871.db2.gz NNWSOHVOHOTDGZ-UHFFFAOYSA-N -1 1 388.476 1.703 20 0 GDADMM CC(C)(C)OCC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCCCC1 ZINC001573871317 950613886 /nfs/dbraw/zinc/61/38/86/950613886.db2.gz NNWSOHVOHOTDGZ-UHFFFAOYSA-N -1 1 388.476 1.703 20 0 GDADMM CC(C)CCC(=O)N[C@@H]1CC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001574174019 950615812 /nfs/dbraw/zinc/61/58/12/950615812.db2.gz DHDXATAXRGHIOT-RRFJBIMHSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)CCC(=O)N[C@@H]1CC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001574174019 950615828 /nfs/dbraw/zinc/61/58/28/950615828.db2.gz DHDXATAXRGHIOT-RRFJBIMHSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C(C(=O)N2CCC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)C1(C)C ZINC001575619167 950617115 /nfs/dbraw/zinc/61/71/15/950617115.db2.gz MZJZMTIFEYMNJC-LBPRGKRZSA-N -1 1 384.488 1.989 20 0 GDADMM CC1(C)C(C(=O)N2CCC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)C1(C)C ZINC001575619167 950617133 /nfs/dbraw/zinc/61/71/33/950617133.db2.gz MZJZMTIFEYMNJC-LBPRGKRZSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1ccccc1 ZINC001575919847 950622916 /nfs/dbraw/zinc/62/29/16/950622916.db2.gz KNMRDCMFSGRLNO-ZFWWWQNUSA-N -1 1 378.440 1.113 20 0 GDADMM CC1(C)C(C(=O)N[C@@H]2CCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)C1(C)C ZINC001575619798 950623890 /nfs/dbraw/zinc/62/38/90/950623890.db2.gz PTAVTXGXXICCBJ-NWDGAFQWSA-N -1 1 384.488 1.458 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1)[C@@H]1CCCO1 ZINC001574515270 950627300 /nfs/dbraw/zinc/62/73/00/950627300.db2.gz CGDRDTLEDTTXKV-SYQHCUMBSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1)[C@@H]1CCCO1 ZINC001574515270 950627314 /nfs/dbraw/zinc/62/73/14/950627314.db2.gz CGDRDTLEDTTXKV-SYQHCUMBSA-N -1 1 386.460 1.169 20 0 GDADMM CC1(C)C2CCC1(C(=O)N[C@H]1C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C1)CC2 ZINC001575622788 950645514 /nfs/dbraw/zinc/64/55/14/950645514.db2.gz HBFYLTOOVSOJEQ-ZCXICMAXSA-N -1 1 382.472 1.932 20 0 GDADMM CC1(C)C2CCC1(C(=O)N[C@H]1C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C1)CC2 ZINC001575622788 950645529 /nfs/dbraw/zinc/64/55/29/950645529.db2.gz HBFYLTOOVSOJEQ-ZCXICMAXSA-N -1 1 382.472 1.932 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)cs1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575001930 950646010 /nfs/dbraw/zinc/64/60/10/950646010.db2.gz PMJHPFIGHAQGIE-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)cs1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575001930 950646025 /nfs/dbraw/zinc/64/60/25/950646025.db2.gz PMJHPFIGHAQGIE-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)cc(Cl)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575001943 950646181 /nfs/dbraw/zinc/64/61/81/950646181.db2.gz PUCFKKPWTXBYNO-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)cc(Cl)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575001943 950646200 /nfs/dbraw/zinc/64/62/00/950646200.db2.gz PUCFKKPWTXBYNO-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cccc(F)c1F ZINC001575922371 950647222 /nfs/dbraw/zinc/64/72/22/950647222.db2.gz PGURPSFFSCWVGQ-CABZTGNLSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cccc(F)c1F ZINC001575922371 950647234 /nfs/dbraw/zinc/64/72/34/950647234.db2.gz PGURPSFFSCWVGQ-CABZTGNLSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccncc1 ZINC001574518272 950649358 /nfs/dbraw/zinc/64/93/58/950649358.db2.gz NEOXXFDYSSJTPX-FPMFFAJLSA-N -1 1 379.428 1.305 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccncc1 ZINC001574518272 950649374 /nfs/dbraw/zinc/64/93/74/950649374.db2.gz NEOXXFDYSSJTPX-FPMFFAJLSA-N -1 1 379.428 1.305 20 0 GDADMM CCN1CCN(c2ccc(Cl)cc2NC(=O)N[C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001589744402 950652701 /nfs/dbraw/zinc/65/27/01/950652701.db2.gz NYEXONREROPZAI-SFHVURJKSA-N -1 1 396.875 1.847 20 0 GDADMM CC(C)(C)S(=O)(=O)CCCn1nnc(-c2ccccc2)c1-c1nn[n-]n1 ZINC001573876275 950665880 /nfs/dbraw/zinc/66/58/80/950665880.db2.gz IZYGGNMHWHAYFI-UHFFFAOYSA-N -1 1 375.458 1.729 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cccc(N(C)C)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574760729 950676366 /nfs/dbraw/zinc/67/63/66/950676366.db2.gz YSIOJPDIOCOFHG-LBPRGKRZSA-N -1 1 381.444 1.295 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cccc(N(C)C)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574760729 950676382 /nfs/dbraw/zinc/67/63/82/950676382.db2.gz YSIOJPDIOCOFHG-LBPRGKRZSA-N -1 1 381.444 1.295 20 0 GDADMM CC(C)n1ccc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H]2C)n1 ZINC001575925063 950681281 /nfs/dbraw/zinc/68/12/81/950681281.db2.gz SSRZPSKTUUZRKG-NWDGAFQWSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1ccc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H]2C)n1 ZINC001575925063 950681290 /nfs/dbraw/zinc/68/12/90/950681290.db2.gz SSRZPSKTUUZRKG-NWDGAFQWSA-N -1 1 382.432 1.149 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cccc2c1OCC2 ZINC001575926132 950700811 /nfs/dbraw/zinc/70/08/11/950700811.db2.gz IWDFIKHSOYGFRR-FZMZJTMJSA-N -1 1 392.423 1.307 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cccc2c1OCC2 ZINC001575926132 950700825 /nfs/dbraw/zinc/70/08/25/950700825.db2.gz IWDFIKHSOYGFRR-FZMZJTMJSA-N -1 1 392.423 1.307 20 0 GDADMM CC1(C)[C@H](NC(=O)C2CCC2)[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)[C@H]21 ZINC001575626263 950703481 /nfs/dbraw/zinc/70/34/81/950703481.db2.gz XTQJSWXGVHDRGQ-APHBMKBZSA-N -1 1 382.472 1.566 20 0 GDADMM CC1(C)[C@H](NC(=O)C2CCC2)[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)[C@H]21 ZINC001575626263 950703489 /nfs/dbraw/zinc/70/34/89/950703489.db2.gz XTQJSWXGVHDRGQ-APHBMKBZSA-N -1 1 382.472 1.566 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ncoc1C1CC1 ZINC001575926249 950704510 /nfs/dbraw/zinc/70/45/10/950704510.db2.gz WYPFOSVACNQZGM-ONGXEEELSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ncoc1C1CC1 ZINC001575926249 950704529 /nfs/dbraw/zinc/70/45/29/950704529.db2.gz WYPFOSVACNQZGM-ONGXEEELSA-N -1 1 381.400 1.237 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573878386 950706492 /nfs/dbraw/zinc/70/64/92/950706492.db2.gz OSGTUWNCWQFIGC-MGPQQGTHSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573878386 950706516 /nfs/dbraw/zinc/70/65/16/950706516.db2.gz OSGTUWNCWQFIGC-MGPQQGTHSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCCC(F)(F)F ZINC001575926472 950711409 /nfs/dbraw/zinc/71/14/09/950711409.db2.gz KHDPCZCYXCMHLW-ZJUUUORDSA-N -1 1 384.366 1.791 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCCC(F)(F)F ZINC001575926472 950711415 /nfs/dbraw/zinc/71/14/15/950711415.db2.gz KHDPCZCYXCMHLW-ZJUUUORDSA-N -1 1 384.366 1.791 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ncc(Cl)s1 ZINC001575926526 950714755 /nfs/dbraw/zinc/71/47/55/950714755.db2.gz XMTLOBCUMPWHLH-SFYZADRCSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ncc(Cl)s1 ZINC001575926526 950714775 /nfs/dbraw/zinc/71/47/75/950714775.db2.gz XMTLOBCUMPWHLH-SFYZADRCSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C2CCC2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576215921 950720931 /nfs/dbraw/zinc/72/09/31/950720931.db2.gz CGXKZLBWJAGUKM-CHWSQXEVSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C2CCC2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576215921 950720937 /nfs/dbraw/zinc/72/09/37/950720937.db2.gz CGXKZLBWJAGUKM-CHWSQXEVSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cncn1C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574763576 950721668 /nfs/dbraw/zinc/72/16/68/950721668.db2.gz FKDAWFXGYRJEQC-ZETCQYMHSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cncn1C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574763576 950721684 /nfs/dbraw/zinc/72/16/84/950721684.db2.gz FKDAWFXGYRJEQC-ZETCQYMHSA-N -1 1 381.853 1.283 20 0 GDADMM CC1(C)CC(C(=O)NC[C@@H](O)CNc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001575628523 950723719 /nfs/dbraw/zinc/72/37/19/950723719.db2.gz DYZLJMPFFRRBQM-MRVPVSSYSA-N -1 1 385.881 1.302 20 0 GDADMM CC1(C)CC(C(=O)NC[C@@H](O)CNc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001575628523 950723735 /nfs/dbraw/zinc/72/37/35/950723735.db2.gz DYZLJMPFFRRBQM-MRVPVSSYSA-N -1 1 385.881 1.302 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001575927669 950750593 /nfs/dbraw/zinc/75/05/93/950750593.db2.gz RWNNXVBDQWMHKW-DNSBFNIMSA-N -1 1 380.456 1.350 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001575927669 950750601 /nfs/dbraw/zinc/75/06/01/950750601.db2.gz RWNNXVBDQWMHKW-DNSBFNIMSA-N -1 1 380.456 1.350 20 0 GDADMM C[C@H](CN(C)C(=O)c1cnn(C(C)(C)C)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574764750 950759618 /nfs/dbraw/zinc/75/96/18/950759618.db2.gz XSMJQVASBHHJQP-LLVKDONJSA-N -1 1 384.448 1.181 20 0 GDADMM C[C@H](CN(C)C(=O)c1cnn(C(C)(C)C)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574764750 950759630 /nfs/dbraw/zinc/75/96/30/950759630.db2.gz XSMJQVASBHHJQP-LLVKDONJSA-N -1 1 384.448 1.181 20 0 GDADMM CC1(C)CC(CC(=O)N2CC[C@](C)(CNc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001575630780 950770658 /nfs/dbraw/zinc/77/06/58/950770658.db2.gz IGANEEWOWSRIRZ-LJQANCHMSA-N -1 1 384.488 1.555 20 0 GDADMM CC1(C)CC(C(=O)NC[C@H]2COCCN2Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001575631752 950778925 /nfs/dbraw/zinc/77/89/25/950778925.db2.gz TYRMQCUAGBEFLY-ZDUSSCGKSA-N -1 1 390.513 1.681 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)C(C)(C)C2(C)C)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576218006 950779463 /nfs/dbraw/zinc/77/94/63/950779463.db2.gz KDZCGWUFZIOWGL-DGCLKSJQSA-N -1 1 384.488 1.988 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)C(C)(C)C2(C)C)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576218006 950779473 /nfs/dbraw/zinc/77/94/73/950779473.db2.gz KDZCGWUFZIOWGL-DGCLKSJQSA-N -1 1 384.488 1.988 20 0 GDADMM CC(C)CCC(=O)N[C@@H]1[C@H]2CN(c3nc(Cl)c(-c4nnn[n-]4)s3)C[C@H]21 ZINC001574185227 950797205 /nfs/dbraw/zinc/79/72/05/950797205.db2.gz VBEJHNIWAPCOGB-JZYVYDRUSA-N -1 1 381.893 1.964 20 0 GDADMM CC(C)CCC(=O)N[C@@H]1[C@H]2CN(c3nc(Cl)c(-c4nn[n-]n4)s3)C[C@H]21 ZINC001574185227 950797217 /nfs/dbraw/zinc/79/72/17/950797217.db2.gz VBEJHNIWAPCOGB-JZYVYDRUSA-N -1 1 381.893 1.964 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)Cc1ccccc1F ZINC001575931137 950801153 /nfs/dbraw/zinc/80/11/53/950801153.db2.gz GXSUUEDTROOKMD-SMDDNHRTSA-N -1 1 382.403 1.440 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)Cc1ccccc1F ZINC001575931137 950801172 /nfs/dbraw/zinc/80/11/72/950801172.db2.gz GXSUUEDTROOKMD-SMDDNHRTSA-N -1 1 382.403 1.440 20 0 GDADMM C[C@H](CN(C)C(=O)c1ncc(Cl)s1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574766124 950806568 /nfs/dbraw/zinc/80/65/68/950806568.db2.gz JYYPFHDKOHRNHY-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CN(C)C(=O)c1ncc(Cl)s1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574766124 950806591 /nfs/dbraw/zinc/80/65/91/950806591.db2.gz JYYPFHDKOHRNHY-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM CC1(C)CC(CC(=O)NC[C@@H]2CCCCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575633725 950815372 /nfs/dbraw/zinc/81/53/72/950815372.db2.gz USQRXYPXRPTEPQ-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CC(CC(=O)NC[C@H]2CCCCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575633751 950820369 /nfs/dbraw/zinc/82/03/69/950820369.db2.gz VRMHGTMZRGKTJH-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CC(CC(=O)NC[C@H]2CCCCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575633751 950820381 /nfs/dbraw/zinc/82/03/81/950820381.db2.gz VRMHGTMZRGKTJH-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)C[C@H](NC(=O)[C@H]2CC2(F)F)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575638394 950827708 /nfs/dbraw/zinc/82/77/08/950827708.db2.gz BHKZSOJWZOUWAK-GHMZBOCLSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@H](CN(C)C(=O)c1nccc2occc21)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574766889 950827971 /nfs/dbraw/zinc/82/79/71/950827971.db2.gz NVSLXFJYRRAQOJ-SNVBAGLBSA-N -1 1 379.384 1.371 20 0 GDADMM C[C@H](CN(C)C(=O)c1nccc2occc21)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574766889 950827999 /nfs/dbraw/zinc/82/79/99/950827999.db2.gz NVSLXFJYRRAQOJ-SNVBAGLBSA-N -1 1 379.384 1.371 20 0 GDADMM C[C@H]1[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCN1C(=O)c1ccncn1 ZINC001575932838 950833839 /nfs/dbraw/zinc/83/38/39/950833839.db2.gz NHGSJYYIEBALRV-JGVFFNPUSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576220648 950838211 /nfs/dbraw/zinc/83/82/11/950838211.db2.gz RZCZKRIDZKZCCV-ONGXEEELSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576220648 950838230 /nfs/dbraw/zinc/83/82/30/950838230.db2.gz RZCZKRIDZKZCCV-ONGXEEELSA-N -1 1 378.387 1.351 20 0 GDADMM CC(C)CCCC(=O)NC[C@]1(C)CN(c2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001574189198 950869282 /nfs/dbraw/zinc/86/92/82/950869282.db2.gz FEHGVULMFLDTRG-GOSISDBHSA-N -1 1 388.476 1.195 20 0 GDADMM CC(C)CCCC(=O)NC[C@]1(C)CN(c2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001574189198 950869296 /nfs/dbraw/zinc/86/92/96/950869296.db2.gz FEHGVULMFLDTRG-GOSISDBHSA-N -1 1 388.476 1.195 20 0 GDADMM CC1(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)CC(C)(C)C2)CCC1 ZINC001575640250 950892682 /nfs/dbraw/zinc/89/26/82/950892682.db2.gz ZBXKEORSCKMUPM-ZDUSSCGKSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)CC(C)(C)C2)CCC1 ZINC001575640250 950892696 /nfs/dbraw/zinc/89/26/96/950892696.db2.gz ZBXKEORSCKMUPM-ZDUSSCGKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ncc(Cl)s1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574768634 950895534 /nfs/dbraw/zinc/89/55/34/950895534.db2.gz ZWYJPPYHUUKTJZ-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ncc(Cl)s1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574768634 950895549 /nfs/dbraw/zinc/89/55/49/950895549.db2.gz ZWYJPPYHUUKTJZ-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ncc(Cl)s1 ZINC001575935800 950897485 /nfs/dbraw/zinc/89/74/85/950897485.db2.gz YWQGXYDSWNNAJB-YUMQZZPRSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ncc(Cl)s1 ZINC001575935800 950897507 /nfs/dbraw/zinc/89/75/07/950897507.db2.gz YWQGXYDSWNNAJB-YUMQZZPRSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc(C(F)F)o1 ZINC001575936841 950929154 /nfs/dbraw/zinc/92/91/54/950929154.db2.gz IXGLYBDPLXKWQR-BDAKNGLRSA-N -1 1 390.354 1.902 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc(C(F)F)o1 ZINC001575936841 950929174 /nfs/dbraw/zinc/92/91/74/950929174.db2.gz IXGLYBDPLXKWQR-BDAKNGLRSA-N -1 1 390.354 1.902 20 0 GDADMM C[C@@H]1[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCN1C(=O)c1cnco1 ZINC001575937703 950953911 /nfs/dbraw/zinc/95/39/11/950953911.db2.gz GYGKLCWAOSPXDG-RNFRBKRXSA-N -1 1 380.821 1.680 20 0 GDADMM C[C@@H]1[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCN1C(=O)c1cnco1 ZINC001575937703 950953930 /nfs/dbraw/zinc/95/39/30/950953930.db2.gz GYGKLCWAOSPXDG-RNFRBKRXSA-N -1 1 380.821 1.680 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)CC(F)F ZINC001573897494 950965545 /nfs/dbraw/zinc/96/55/45/950965545.db2.gz RASIULQJTQYGSP-SNVBAGLBSA-N -1 1 380.403 1.423 20 0 GDADMM CC1(C)C[C@H]1C(=O)N1CCC[C@@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001575643352 950972496 /nfs/dbraw/zinc/97/24/96/950972496.db2.gz LLSYJXDQEMIPNA-DJJJIMSYSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)C[C@H]1C(=O)N1CCC[C@@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001575643352 950972511 /nfs/dbraw/zinc/97/25/11/950972511.db2.gz LLSYJXDQEMIPNA-DJJJIMSYSA-N -1 1 382.472 1.522 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)CC(F)F ZINC001573899515 950979302 /nfs/dbraw/zinc/97/93/02/950979302.db2.gz BKCCYYCIJAUDGD-SNVBAGLBSA-N -1 1 380.403 1.423 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)CC(F)F ZINC001573899515 950979318 /nfs/dbraw/zinc/97/93/18/950979318.db2.gz BKCCYYCIJAUDGD-SNVBAGLBSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H]1CN(C(=O)C2CC3(CCC3)C2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576229691 950980473 /nfs/dbraw/zinc/98/04/73/950980473.db2.gz NWZUAGLDDMJCHJ-JSGCOSHPSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@H]1CN(C(=O)C2CC3(CCC3)C2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576229691 950980490 /nfs/dbraw/zinc/98/04/90/950980490.db2.gz NWZUAGLDDMJCHJ-JSGCOSHPSA-N -1 1 382.472 1.743 20 0 GDADMM CC(C)(CC(=O)NCC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CC1 ZINC001573900174 950999507 /nfs/dbraw/zinc/99/95/07/950999507.db2.gz SSWYELUTZMCLFW-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(CC(=O)NCC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CC1 ZINC001573900174 950999524 /nfs/dbraw/zinc/99/95/24/950999524.db2.gz SSWYELUTZMCLFW-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)c(F)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575022165 951071303 /nfs/dbraw/zinc/07/13/03/951071303.db2.gz ICWYOMZJOGKYJK-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)c(F)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575022165 951071311 /nfs/dbraw/zinc/07/13/11/951071311.db2.gz ICWYOMZJOGKYJK-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)cc1F)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575022825 951073729 /nfs/dbraw/zinc/07/37/29/951073729.db2.gz KEEXUCXPUIZLAC-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)cc1F)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575022825 951073740 /nfs/dbraw/zinc/07/37/40/951073740.db2.gz KEEXUCXPUIZLAC-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)cc1F)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575023306 951079338 /nfs/dbraw/zinc/07/93/38/951079338.db2.gz MOZYYPUKLRMPKH-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)cc1F)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575023306 951079352 /nfs/dbraw/zinc/07/93/52/951079352.db2.gz MOZYYPUKLRMPKH-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)c(F)c1F)Nc1nccnc1-c1nnn[n-]1 ZINC001575023861 951084791 /nfs/dbraw/zinc/08/47/91/951084791.db2.gz RAWPCLPSCSMATN-ZETCQYMHSA-N -1 1 378.318 1.304 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)c(F)c1F)Nc1nccnc1-c1nn[n-]n1 ZINC001575023861 951084805 /nfs/dbraw/zinc/08/48/05/951084805.db2.gz RAWPCLPSCSMATN-ZETCQYMHSA-N -1 1 378.318 1.304 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C2CC2)cc1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575024268 951098787 /nfs/dbraw/zinc/09/87/87/951098787.db2.gz ZGRXLVRXLDQBBM-LBPRGKRZSA-N -1 1 378.440 1.789 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C2CC2)cc1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575024268 951098799 /nfs/dbraw/zinc/09/87/99/951098799.db2.gz ZGRXLVRXLDQBBM-LBPRGKRZSA-N -1 1 378.440 1.789 20 0 GDADMM CC(C)Oc1ccc(C(=O)NC[C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001575024410 951101236 /nfs/dbraw/zinc/10/12/36/951101236.db2.gz DDAMXICFCJOUQM-LBPRGKRZSA-N -1 1 382.428 1.096 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCC2)CNc1nccnc1-c1nnn[n-]1 ZINC001575024594 951110223 /nfs/dbraw/zinc/11/02/23/951110223.db2.gz IPAFRKBNGOWUQH-LBPRGKRZSA-N -1 1 378.440 1.623 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCC2)CNc1nccnc1-c1nn[n-]n1 ZINC001575024594 951110230 /nfs/dbraw/zinc/11/02/30/951110230.db2.gz IPAFRKBNGOWUQH-LBPRGKRZSA-N -1 1 378.440 1.623 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCO2)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575025083 951125298 /nfs/dbraw/zinc/12/52/98/951125298.db2.gz UPCLPEDMTBAQLD-LLVKDONJSA-N -1 1 380.412 1.070 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCO2)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575025083 951125302 /nfs/dbraw/zinc/12/53/02/951125302.db2.gz UPCLPEDMTBAQLD-LLVKDONJSA-N -1 1 380.412 1.070 20 0 GDADMM C[C@H](CNC(=O)c1cccc(Cl)c1F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575025786 951132575 /nfs/dbraw/zinc/13/25/75/951132575.db2.gz AJHVMTPPGFCUEN-MRVPVSSYSA-N -1 1 376.783 1.102 20 0 GDADMM C[C@H](CNC(=O)c1cccc(=O)[nH]1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575026685 951145640 /nfs/dbraw/zinc/14/56/40/951145640.db2.gz MBSJEYCUNNKKEM-ZCFIWIBFSA-N -1 1 380.821 1.308 20 0 GDADMM C[C@H](CNC(=O)c1cccc2c1OCC2)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575027420 951157463 /nfs/dbraw/zinc/15/74/63/951157463.db2.gz FYVJNXZNWYLDKG-NSHDSACASA-N -1 1 380.412 1.070 20 0 GDADMM C[C@H](CNC(=O)c1cccc2c1OCC2)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575027420 951157467 /nfs/dbraw/zinc/15/74/67/951157467.db2.gz FYVJNXZNWYLDKG-NSHDSACASA-N -1 1 380.412 1.070 20 0 GDADMM CC(C)Oc1cccc(C(=O)NC[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)n1 ZINC001575027676 951162063 /nfs/dbraw/zinc/16/20/63/951162063.db2.gz HXBIQBRHRUUYRZ-NSHDSACASA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1cccc(C(=O)NC[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)n1 ZINC001575027676 951162070 /nfs/dbraw/zinc/16/20/70/951162070.db2.gz HXBIQBRHRUUYRZ-NSHDSACASA-N -1 1 383.416 1.069 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2c1CCCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001575027634 951163152 /nfs/dbraw/zinc/16/31/52/951163152.db2.gz HHDGLKGAZJAQIV-LBPRGKRZSA-N -1 1 378.440 1.766 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2c1CCCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001575027634 951163156 /nfs/dbraw/zinc/16/31/56/951163156.db2.gz HHDGLKGAZJAQIV-LBPRGKRZSA-N -1 1 378.440 1.766 20 0 GDADMM C[C@H](CNC(=O)c1ccccc1C(F)(F)F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575027626 951163666 /nfs/dbraw/zinc/16/36/66/951163666.db2.gz HFUGHKWEISFKNC-SECBINFHSA-N -1 1 392.345 1.328 20 0 GDADMM C[C@H](CNC(=O)c1cccc2[nH]ccc21)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575028165 951170561 /nfs/dbraw/zinc/17/05/61/951170561.db2.gz LTJNYZGOLNUWFA-NSHDSACASA-N -1 1 377.412 1.616 20 0 GDADMM C[C@H](CNC(=O)c1cccc2[nH]ccc21)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575028165 951170564 /nfs/dbraw/zinc/17/05/64/951170564.db2.gz LTJNYZGOLNUWFA-NSHDSACASA-N -1 1 377.412 1.616 20 0 GDADMM C[C@H](CNC(=O)c1cccc(C(F)(F)F)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575028394 951172959 /nfs/dbraw/zinc/17/29/59/951172959.db2.gz WGLFFVXZIHVCSU-SECBINFHSA-N -1 1 392.345 1.328 20 0 GDADMM C[C@@H](CNC(=O)c1ccccc1C1CCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575029752 951188634 /nfs/dbraw/zinc/18/86/34/951188634.db2.gz XHOUCHJAYOKPDX-LBPRGKRZSA-N -1 1 378.440 1.577 20 0 GDADMM C[C@H](CNC(=O)c1cccc2c1CCCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575030060 951191542 /nfs/dbraw/zinc/19/15/42/951191542.db2.gz ZLKIMUJJJAPXBL-GFCCVEGCSA-N -1 1 378.440 1.766 20 0 GDADMM C[C@H](CNC(=O)c1cccc2c1CCCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575030060 951191548 /nfs/dbraw/zinc/19/15/48/951191548.db2.gz ZLKIMUJJJAPXBL-GFCCVEGCSA-N -1 1 378.440 1.766 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2c1OCC2)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575029978 951192274 /nfs/dbraw/zinc/19/22/74/951192274.db2.gz YXRMCGBLJFSBDR-LLVKDONJSA-N -1 1 380.412 1.070 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2c1OCC2)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575029978 951192279 /nfs/dbraw/zinc/19/22/79/951192279.db2.gz YXRMCGBLJFSBDR-LLVKDONJSA-N -1 1 380.412 1.070 20 0 GDADMM C[C@H](CNC(=O)c1ccnnc1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001575033856 951230217 /nfs/dbraw/zinc/23/02/17/951230217.db2.gz CXYVCIHVRGGERY-SSDOTTSWSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@H](CNC(=O)c1ccnnc1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001575033856 951230230 /nfs/dbraw/zinc/23/02/30/951230230.db2.gz CXYVCIHVRGGERY-SSDOTTSWSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@@H](CNC(=O)c1ccncc1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575035297 951269419 /nfs/dbraw/zinc/26/94/19/951269419.db2.gz VVQOUGVLZXYOCB-QMMMGPOBSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@H](CNC(=O)c1ccn(C)n1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575035500 951277503 /nfs/dbraw/zinc/27/75/03/951277503.db2.gz JEGYEEOSGPTKRJ-SSDOTTSWSA-N -1 1 381.853 1.188 20 0 GDADMM C[C@H](CNC(=O)c1ccn(C)n1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575035500 951277510 /nfs/dbraw/zinc/27/75/10/951277510.db2.gz JEGYEEOSGPTKRJ-SSDOTTSWSA-N -1 1 381.853 1.188 20 0 GDADMM CC(C)Oc1cc(C(=O)NC[C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)ccn1 ZINC001575036274 951291718 /nfs/dbraw/zinc/29/17/18/951291718.db2.gz QLCPCLFYZVSPDH-LLVKDONJSA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1cc(C(=O)NC[C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)ccn1 ZINC001575036274 951291729 /nfs/dbraw/zinc/29/17/29/951291729.db2.gz QLCPCLFYZVSPDH-LLVKDONJSA-N -1 1 383.416 1.069 20 0 GDADMM C[C@@H](CNC(=O)c1cnc2ccsc2c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575044374 951412269 /nfs/dbraw/zinc/41/22/69/951412269.db2.gz RPGIMVYMDYICBV-VIFPVBQESA-N -1 1 381.425 1.497 20 0 GDADMM C[C@@H](CNC(=O)c1cnc2ccsc2c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575044374 951412279 /nfs/dbraw/zinc/41/22/79/951412279.db2.gz RPGIMVYMDYICBV-VIFPVBQESA-N -1 1 381.425 1.497 20 0 GDADMM C[C@@H](CNC(=O)c1n[nH]cc1F)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001575060984 951555391 /nfs/dbraw/zinc/55/53/91/951555391.db2.gz KPDSGLABPMTZPN-YFKPBYRVSA-N -1 1 385.816 1.094 20 0 GDADMM C[C@H](CNC(=O)c1nccs1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575065306 951585044 /nfs/dbraw/zinc/58/50/44/951585044.db2.gz BGRKMFVWKYUGSE-ZCFIWIBFSA-N -1 1 384.878 1.688 20 0 GDADMM C[C@H](CNC(=O)c1nccs1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575065306 951585049 /nfs/dbraw/zinc/58/50/49/951585049.db2.gz BGRKMFVWKYUGSE-ZCFIWIBFSA-N -1 1 384.878 1.688 20 0 GDADMM C[C@H](CNC(=O)c1scnc1C(C)(C)C)Nc1nccnc1-c1nnn[n-]1 ZINC001575069284 951641566 /nfs/dbraw/zinc/64/15/66/951641566.db2.gz HRMZYGXPMZTXTF-SECBINFHSA-N -1 1 387.473 1.641 20 0 GDADMM C[C@H](CNC(=O)c1scnc1C(C)(C)C)Nc1nccnc1-c1nn[n-]n1 ZINC001575069284 951641576 /nfs/dbraw/zinc/64/15/76/951641576.db2.gz HRMZYGXPMZTXTF-SECBINFHSA-N -1 1 387.473 1.641 20 0 GDADMM C[C@H](CNC(=O)c1sccc1C1CC1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575071340 951658208 /nfs/dbraw/zinc/65/82/08/951658208.db2.gz ZXYLYQPETZOLPY-SNVBAGLBSA-N -1 1 384.469 1.850 20 0 GDADMM O=C([O-])CN1CCC[C@@H](C(=O)N2CCc3nc[nH]c3[C@H]2c2ccccc2)C1=O ZINC001595081488 951684099 /nfs/dbraw/zinc/68/40/99/951684099.db2.gz AKJLUSBQGPPUCF-RDTXWAMCSA-N -1 1 382.420 1.207 20 0 GDADMM O=C([O-])CN1CCC[C@H](C(=O)Nc2nc3ccc(Br)cc3[nH]2)C1=O ZINC001595087478 951746867 /nfs/dbraw/zinc/74/68/67/951746867.db2.gz NZTPZNWYFYKSDR-SECBINFHSA-N -1 1 395.213 1.587 20 0 GDADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)CCn1cccc1)C1CC1 ZINC001575127951 952064349 /nfs/dbraw/zinc/06/43/49/952064349.db2.gz DQMIYGHPLFMQHL-SFHVURJKSA-N -1 1 381.444 1.245 20 0 GDADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)CCn1cccc1)C1CC1 ZINC001575127951 952064357 /nfs/dbraw/zinc/06/43/57/952064357.db2.gz DQMIYGHPLFMQHL-SFHVURJKSA-N -1 1 381.444 1.245 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)Cc1ccc(Cl)cc1 ZINC001575131821 952088039 /nfs/dbraw/zinc/08/80/39/952088039.db2.gz BSJUNIWPMUJARI-LLVKDONJSA-N -1 1 386.847 1.812 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)Cc1ccc(Cl)cc1 ZINC001575131821 952088045 /nfs/dbraw/zinc/08/80/45/952088045.db2.gz BSJUNIWPMUJARI-LLVKDONJSA-N -1 1 386.847 1.812 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)COc1ccccc1F ZINC001575133560 952106071 /nfs/dbraw/zinc/10/60/71/952106071.db2.gz LDPIIXXBNKWMOR-NSHDSACASA-N -1 1 386.391 1.134 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)COc1ccccc1F ZINC001575133560 952106075 /nfs/dbraw/zinc/10/60/75/952106075.db2.gz LDPIIXXBNKWMOR-NSHDSACASA-N -1 1 386.391 1.134 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cccc2c1CCC2 ZINC001575134721 952112448 /nfs/dbraw/zinc/11/24/48/952112448.db2.gz OPBHLNKFMNJEJK-GFCCVEGCSA-N -1 1 378.440 1.718 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cccc2c1CCC2 ZINC001575134721 952112456 /nfs/dbraw/zinc/11/24/56/952112456.db2.gz OPBHLNKFMNJEJK-GFCCVEGCSA-N -1 1 378.440 1.718 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cccc2c1OCC2 ZINC001575135276 952117588 /nfs/dbraw/zinc/11/75/88/952117588.db2.gz PWJQFBNLTDNOPU-NSHDSACASA-N -1 1 380.412 1.164 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cccc2c1OCC2 ZINC001575135276 952117594 /nfs/dbraw/zinc/11/75/94/952117594.db2.gz PWJQFBNLTDNOPU-NSHDSACASA-N -1 1 380.412 1.164 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)C[C@@H]1CCC(F)(F)C1 ZINC001575135945 952122383 /nfs/dbraw/zinc/12/23/83/952122383.db2.gz UCDPEHWACPKVIM-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)C[C@@H]1CCC(F)(F)C1 ZINC001575135945 952122390 /nfs/dbraw/zinc/12/23/90/952122390.db2.gz UCDPEHWACPKVIM-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ccc2c(c1)CCO2 ZINC001575136763 952128347 /nfs/dbraw/zinc/12/83/47/952128347.db2.gz WNSQTXAOVNXXNL-LLVKDONJSA-N -1 1 380.412 1.164 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ccc2c(c1)CCO2 ZINC001575136763 952128354 /nfs/dbraw/zinc/12/83/54/952128354.db2.gz WNSQTXAOVNXXNL-LLVKDONJSA-N -1 1 380.412 1.164 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc(Cl)c(F)c1 ZINC001575144333 952164585 /nfs/dbraw/zinc/16/45/85/952164585.db2.gz HUQWPPVSJPCXOR-SECBINFHSA-N -1 1 390.810 1.444 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc2ccn(C)c2c1 ZINC001575145040 952177196 /nfs/dbraw/zinc/17/71/96/952177196.db2.gz OOLGVOVQGGQGNA-LBPRGKRZSA-N -1 1 391.439 1.143 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)Cc1cc(C2CC2)no1 ZINC001575152930 952203803 /nfs/dbraw/zinc/20/38/03/952203803.db2.gz ARTLNSJKDBRLRL-JTQLQIEISA-N -1 1 383.416 1.024 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)Cc1cc(C2CC2)no1 ZINC001575152930 952203808 /nfs/dbraw/zinc/20/38/08/952203808.db2.gz ARTLNSJKDBRLRL-JTQLQIEISA-N -1 1 383.416 1.024 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001575153785 952213937 /nfs/dbraw/zinc/21/39/37/952213937.db2.gz KVDAPCHOZUEFFH-VHDGCEQUSA-N -1 1 378.440 1.719 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001575153785 952213947 /nfs/dbraw/zinc/21/39/47/952213947.db2.gz KVDAPCHOZUEFFH-VHDGCEQUSA-N -1 1 378.440 1.719 20 0 GDADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)Cc1cccs1)C1CC1 ZINC001575153976 952215368 /nfs/dbraw/zinc/21/53/68/952215368.db2.gz MYJVPXZVVVTARW-KRWDZBQOSA-N -1 1 384.469 1.658 20 0 GDADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)Cc1cccs1)C1CC1 ZINC001575153976 952215370 /nfs/dbraw/zinc/21/53/70/952215370.db2.gz MYJVPXZVVVTARW-KRWDZBQOSA-N -1 1 384.469 1.658 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)C(C)(C)CC(F)(F)F ZINC001575154145 952216894 /nfs/dbraw/zinc/21/68/94/952216894.db2.gz OVFLOCBKASWNGY-SECBINFHSA-N -1 1 386.382 1.894 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)C(C)(C)CC(F)(F)F ZINC001575154145 952216896 /nfs/dbraw/zinc/21/68/96/952216896.db2.gz OVFLOCBKASWNGY-SECBINFHSA-N -1 1 386.382 1.894 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)C[C@@H]1CCCC1(F)F ZINC001575154227 952217405 /nfs/dbraw/zinc/21/74/05/952217405.db2.gz QIZCKBZCGSNIMX-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)C[C@@H]1CCCC1(F)F ZINC001575154227 952217408 /nfs/dbraw/zinc/21/74/08/952217408.db2.gz QIZCKBZCGSNIMX-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001575154193 952218579 /nfs/dbraw/zinc/21/85/79/952218579.db2.gz PWUDJQOHXFODMK-IAMHBRQHSA-N -1 1 392.467 1.893 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001575154193 952218582 /nfs/dbraw/zinc/21/85/82/952218582.db2.gz PWUDJQOHXFODMK-IAMHBRQHSA-N -1 1 392.467 1.893 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)N(C)[C@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575154710 952229979 /nfs/dbraw/zinc/22/99/79/952229979.db2.gz UZNNUHKBIKYHIK-ZIAGYGMSSA-N -1 1 380.456 1.794 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)N(C)[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575154710 952229983 /nfs/dbraw/zinc/22/99/83/952229983.db2.gz UZNNUHKBIKYHIK-ZIAGYGMSSA-N -1 1 380.456 1.794 20 0 GDADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)CC[C@@H]1CCCO1)C1CC1 ZINC001575155323 952236258 /nfs/dbraw/zinc/23/62/58/952236258.db2.gz KWRFVPDCGLJENC-SCLBCKFNSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)CC[C@@H]1CCCO1)C1CC1 ZINC001575155323 952236265 /nfs/dbraw/zinc/23/62/65/952236265.db2.gz KWRFVPDCGLJENC-SCLBCKFNSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)[C@H]1C[C@@H]1C(F)F)C1CC1 ZINC001575155847 952245917 /nfs/dbraw/zinc/24/59/17/952245917.db2.gz PKNMSDRGPWXMFY-XQJJYNOISA-N -1 1 378.387 1.255 20 0 GDADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)[C@H]1C[C@@H]1C(F)F)C1CC1 ZINC001575155847 952245923 /nfs/dbraw/zinc/24/59/23/952245923.db2.gz PKNMSDRGPWXMFY-XQJJYNOISA-N -1 1 378.387 1.255 20 0 GDADMM CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](CCS(=O)(=O)CC(=O)[O-])CC[C@@H]2C1 ZINC001602895294 971818298 /nfs/dbraw/zinc/81/82/98/971818298.db2.gz YMHPBDIWATVUPE-OKILXGFUSA-N -1 1 390.502 1.065 20 0 GDADMM CC(C)(C)OC(=O)N1C[C@@H]2CCN(CCS(=O)(=O)CC(=O)[O-])CC[C@@H]2C1 ZINC001602895294 971818303 /nfs/dbraw/zinc/81/83/03/971818303.db2.gz YMHPBDIWATVUPE-OKILXGFUSA-N -1 1 390.502 1.065 20 0 GDADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)c1ccncn1 ZINC001575164727 952298150 /nfs/dbraw/zinc/29/81/50/952298150.db2.gz GYXBRGYBOAMCQM-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)c1csnn1 ZINC001575165309 952305910 /nfs/dbraw/zinc/30/59/10/952305910.db2.gz NIDPNSTXJDUWTP-YFKPBYRVSA-N -1 1 385.866 1.401 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)c1csnn1 ZINC001575165309 952305919 /nfs/dbraw/zinc/30/59/19/952305919.db2.gz NIDPNSTXJDUWTP-YFKPBYRVSA-N -1 1 385.866 1.401 20 0 GDADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)[C@@]1(C)CCOC1 ZINC001575166196 952322199 /nfs/dbraw/zinc/32/21/99/952322199.db2.gz SVFHKRXZJPLNQR-CLAHSXSESA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)Cc1cccnc1 ZINC001575166439 952325718 /nfs/dbraw/zinc/32/57/18/952325718.db2.gz WCXDWDZVOQODCO-VIFPVBQESA-N -1 1 392.876 1.873 20 0 GDADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)c1ccc(Cl)[nH]1)C1CC1 ZINC001575173885 952359696 /nfs/dbraw/zinc/35/96/96/952359696.db2.gz CDZCUNCBAIABDC-MRXNPFEDSA-N -1 1 387.835 1.649 20 0 GDADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)c1ccc(Cl)[nH]1)C1CC1 ZINC001575173885 952359701 /nfs/dbraw/zinc/35/97/01/952359701.db2.gz CDZCUNCBAIABDC-MRXNPFEDSA-N -1 1 387.835 1.649 20 0 GDADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)Cc1cccs1)C1CC1 ZINC001575174310 952369759 /nfs/dbraw/zinc/36/97/59/952369759.db2.gz LOBLNQAJEVXWEW-KRWDZBQOSA-N -1 1 384.469 1.658 20 0 GDADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)Cc1cccs1)C1CC1 ZINC001575174310 952369763 /nfs/dbraw/zinc/36/97/63/952369763.db2.gz LOBLNQAJEVXWEW-KRWDZBQOSA-N -1 1 384.469 1.658 20 0 GDADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)c1ccncc1F)C1CC1 ZINC001575176191 952390204 /nfs/dbraw/zinc/39/02/04/952390204.db2.gz ZBWIJYALMHAVHZ-QGZVFWFLSA-N -1 1 383.391 1.201 20 0 GDADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)c1ccncc1F)C1CC1 ZINC001575176191 952390210 /nfs/dbraw/zinc/39/02/10/952390210.db2.gz ZBWIJYALMHAVHZ-QGZVFWFLSA-N -1 1 383.391 1.201 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)CC1(O)CCC1 ZINC001575178267 952405812 /nfs/dbraw/zinc/40/58/12/952405812.db2.gz LSEVMCDJZWPUDK-MRVPVSSYSA-N -1 1 385.881 1.541 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)CC1(O)CCC1 ZINC001575178267 952405816 /nfs/dbraw/zinc/40/58/16/952405816.db2.gz LSEVMCDJZWPUDK-MRVPVSSYSA-N -1 1 385.881 1.541 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CC1(F)F ZINC001575178763 952408100 /nfs/dbraw/zinc/40/81/00/952408100.db2.gz MQEWZYXOTKWSFE-RITPCOANSA-N -1 1 377.808 1.891 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CC1(F)F ZINC001575178763 952408102 /nfs/dbraw/zinc/40/81/02/952408102.db2.gz MQEWZYXOTKWSFE-RITPCOANSA-N -1 1 377.808 1.891 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)Cc1cccc(F)c1F ZINC001575179673 952412444 /nfs/dbraw/zinc/41/24/44/952412444.db2.gz QOCNGXHMFHCAEW-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)Cc1cccc(F)c1F ZINC001575179673 952412448 /nfs/dbraw/zinc/41/24/48/952412448.db2.gz QOCNGXHMFHCAEW-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H](COc1ccc(F)cc1)NS(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001575180057 952414195 /nfs/dbraw/zinc/41/41/95/952414195.db2.gz XMBLMJDPPLWWDD-SNVBAGLBSA-N -1 1 378.389 1.147 20 0 GDADMM C[C@@](CO)(NC(=O)c1ccc(-c2nnn[n-]2)o1)c1ccc(Br)cc1 ZINC001575180243 952417001 /nfs/dbraw/zinc/41/70/01/952417001.db2.gz YUPOCQGAJPVADZ-HNNXBMFYSA-N -1 1 392.213 1.860 20 0 GDADMM C[C@@](CO)(NC(=O)c1ccc(-c2nn[n-]n2)o1)c1ccc(Br)cc1 ZINC001575180243 952417005 /nfs/dbraw/zinc/41/70/05/952417005.db2.gz YUPOCQGAJPVADZ-HNNXBMFYSA-N -1 1 392.213 1.860 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)Cc1cccc(F)c1 ZINC001575188568 952448785 /nfs/dbraw/zinc/44/87/85/952448785.db2.gz JNKMOWUHUOHZIC-NWDGAFQWSA-N -1 1 384.419 1.013 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N(C)CCCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575188565 952448875 /nfs/dbraw/zinc/44/88/75/952448875.db2.gz JMJXYDWPRQXLPZ-ZDUSSCGKSA-N -1 1 384.444 1.413 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N(C)CCCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575188565 952448880 /nfs/dbraw/zinc/44/88/80/952448880.db2.gz JMJXYDWPRQXLPZ-ZDUSSCGKSA-N -1 1 384.444 1.413 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H](C)Cc1ccccc1F ZINC001575189810 952459014 /nfs/dbraw/zinc/45/90/14/952459014.db2.gz QUFMRLSIALYMBX-NWDGAFQWSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H](C)Cc1ccccc1F ZINC001575189810 952459019 /nfs/dbraw/zinc/45/90/19/952459019.db2.gz QUFMRLSIALYMBX-NWDGAFQWSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575197209 952480440 /nfs/dbraw/zinc/48/04/40/952480440.db2.gz QESSYRBCDWQQPM-QWHCGFSZSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575197209 952480445 /nfs/dbraw/zinc/48/04/45/952480445.db2.gz QESSYRBCDWQQPM-QWHCGFSZSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575197586 952485961 /nfs/dbraw/zinc/48/59/61/952485961.db2.gz XFESIHHZIJUCHB-STQMWFEESA-N -1 1 382.428 1.214 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575197586 952485964 /nfs/dbraw/zinc/48/59/64/952485964.db2.gz XFESIHHZIJUCHB-STQMWFEESA-N -1 1 382.428 1.214 20 0 GDADMM Cc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nnn[n-]3)cn2)c1 ZINC001571119378 952490445 /nfs/dbraw/zinc/49/04/45/952490445.db2.gz AMOCIHVQYWKPPB-FMKPAKJESA-N -1 1 376.424 1.505 20 0 GDADMM Cc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nn[n-]n3)cn2)c1 ZINC001571119378 952490447 /nfs/dbraw/zinc/49/04/47/952490447.db2.gz AMOCIHVQYWKPPB-FMKPAKJESA-N -1 1 376.424 1.505 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@@H](C(=O)OC(C)(C)C)C2)n1 ZINC001571119721 952493926 /nfs/dbraw/zinc/49/39/26/952493926.db2.gz DZSIKCOGILEMTO-SNVBAGLBSA-N -1 1 376.421 1.186 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@@H](C(=O)OC(C)(C)C)C2)n1 ZINC001571119721 952493934 /nfs/dbraw/zinc/49/39/34/952493934.db2.gz DZSIKCOGILEMTO-SNVBAGLBSA-N -1 1 376.421 1.186 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ccc2c(c1)CCC2 ZINC001571119597 952494221 /nfs/dbraw/zinc/49/42/21/952494221.db2.gz DECFMTRNYSRYPW-GASCZTMLSA-N -1 1 376.424 1.518 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ccc2c(c1)CCC2 ZINC001571119597 952494227 /nfs/dbraw/zinc/49/42/27/952494227.db2.gz DECFMTRNYSRYPW-GASCZTMLSA-N -1 1 376.424 1.518 20 0 GDADMM Cc1nsc(N2C[C@@H](CNC(=O)[C@H]3CC3(C)C)[C@H](C)C2)c1-c1nn[n-]n1 ZINC001571121118 952515291 /nfs/dbraw/zinc/51/52/91/952515291.db2.gz WHFAQJOORDQRCA-YUSALJHKSA-N -1 1 375.502 1.866 20 0 GDADMM CC[C@@H](SC)C(=O)N1CCCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571121893 952521576 /nfs/dbraw/zinc/52/15/76/952521576.db2.gz DKRQZMOODNNXTL-DGCLKSJQSA-N -1 1 376.490 1.591 20 0 GDADMM CC[C@@H](SC)C(=O)N1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571121893 952521580 /nfs/dbraw/zinc/52/15/80/952521580.db2.gz DKRQZMOODNNXTL-DGCLKSJQSA-N -1 1 376.490 1.591 20 0 GDADMM NC(=O)C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(Cl)cc1 ZINC001571121879 952522706 /nfs/dbraw/zinc/52/27/06/952522706.db2.gz DICWYWIMHKFWJZ-SNVBAGLBSA-N -1 1 376.829 1.928 20 0 GDADMM NC(=O)C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(Cl)cc1 ZINC001571121879 952522710 /nfs/dbraw/zinc/52/27/10/952522710.db2.gz DICWYWIMHKFWJZ-SNVBAGLBSA-N -1 1 376.829 1.928 20 0 GDADMM CC(C)[C@@H](F)C(=O)N1CCCC[C@@H]1CN(C)c1nccnc1-c1nnn[n-]1 ZINC001571122256 952523604 /nfs/dbraw/zinc/52/36/04/952523604.db2.gz HXECCFRXUUNGEY-CHWSQXEVSA-N -1 1 376.440 1.468 20 0 GDADMM CC(C)[C@@H](F)C(=O)N1CCCC[C@@H]1CN(C)c1nccnc1-c1nn[n-]n1 ZINC001571122256 952523609 /nfs/dbraw/zinc/52/36/09/952523609.db2.gz HXECCFRXUUNGEY-CHWSQXEVSA-N -1 1 376.440 1.468 20 0 GDADMM CS[C@H](C)C(=O)N1CCC([C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571123370 952529671 /nfs/dbraw/zinc/52/96/71/952529671.db2.gz QTXFYTHDAFIFOK-GHMZBOCLSA-N -1 1 376.490 1.447 20 0 GDADMM CS[C@H](C)C(=O)N1CCC([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571123370 952529675 /nfs/dbraw/zinc/52/96/75/952529675.db2.gz QTXFYTHDAFIFOK-GHMZBOCLSA-N -1 1 376.490 1.447 20 0 GDADMM CSc1nc(CNC(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)cc(=O)[n-]1 ZINC001571127619 952558107 /nfs/dbraw/zinc/55/81/07/952558107.db2.gz JYZPZTCRJJGEDP-UHFFFAOYSA-N -1 1 377.817 1.668 20 0 GDADMM O=C(NC[C@H](O)c1ccc(Cl)c(F)c1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001571128113 952563844 /nfs/dbraw/zinc/56/38/44/952563844.db2.gz PXGBLXSMMOUQCG-LBPRGKRZSA-N -1 1 377.767 1.909 20 0 GDADMM O=C(NC[C@H](O)c1ccc(Cl)c(F)c1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001571128113 952563846 /nfs/dbraw/zinc/56/38/46/952563846.db2.gz PXGBLXSMMOUQCG-LBPRGKRZSA-N -1 1 377.767 1.909 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575214965 952566204 /nfs/dbraw/zinc/56/62/04/952566204.db2.gz QJLVUHOFKXTQLR-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575214965 952566208 /nfs/dbraw/zinc/56/62/08/952566208.db2.gz QJLVUHOFKXTQLR-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001575215846 952569532 /nfs/dbraw/zinc/56/95/32/952569532.db2.gz XBZZNLNBKJBNQQ-RTCCRHLQSA-N -1 1 392.414 1.137 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001575215846 952569539 /nfs/dbraw/zinc/56/95/39/952569539.db2.gz XBZZNLNBKJBNQQ-RTCCRHLQSA-N -1 1 392.414 1.137 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001575221669 952570802 /nfs/dbraw/zinc/57/08/02/952570802.db2.gz AQXBGGCJZUCPHP-LLVKDONJSA-N -1 1 392.414 1.743 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001575221669 952570809 /nfs/dbraw/zinc/57/08/09/952570809.db2.gz AQXBGGCJZUCPHP-LLVKDONJSA-N -1 1 392.414 1.743 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)[C@H]1CCCC(F)(F)C1 ZINC001571129849 952577186 /nfs/dbraw/zinc/57/71/86/952577186.db2.gz KNMHQKJXNMLJHJ-DCAQKATOSA-N -1 1 378.387 1.541 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)[C@H]1CCCC(F)(F)C1 ZINC001571129849 952577188 /nfs/dbraw/zinc/57/71/88/952577188.db2.gz KNMHQKJXNMLJHJ-DCAQKATOSA-N -1 1 378.387 1.541 20 0 GDADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC001571130148 952578634 /nfs/dbraw/zinc/57/86/34/952578634.db2.gz OUKKZKHVOTUWTF-KGLIPLIRSA-N -1 1 378.392 1.453 20 0 GDADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC001571130148 952578637 /nfs/dbraw/zinc/57/86/37/952578637.db2.gz OUKKZKHVOTUWTF-KGLIPLIRSA-N -1 1 378.392 1.453 20 0 GDADMM O=C(CC1CC(F)(F)C1)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571130904 952582816 /nfs/dbraw/zinc/58/28/16/952582816.db2.gz YEPMNLSNKMSYOJ-LLVKDONJSA-N -1 1 378.387 1.495 20 0 GDADMM O=C(CC1CC(F)(F)C1)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571130904 952582821 /nfs/dbraw/zinc/58/28/21/952582821.db2.gz YEPMNLSNKMSYOJ-LLVKDONJSA-N -1 1 378.387 1.495 20 0 GDADMM Cc1cc(C)cc(C(=O)N(C)[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571134213 952587432 /nfs/dbraw/zinc/58/74/32/952587432.db2.gz BXZXUOXYMGDJJI-OAHLLOKOSA-N -1 1 378.440 1.624 20 0 GDADMM Cc1cc(C)cc(C(=O)N(C)[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571134213 952587438 /nfs/dbraw/zinc/58/74/38/952587438.db2.gz BXZXUOXYMGDJJI-OAHLLOKOSA-N -1 1 378.440 1.624 20 0 GDADMM Cc1cccc(CCC(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571134212 952587650 /nfs/dbraw/zinc/58/76/50/952587650.db2.gz GGIIBCGCVRZLHK-OAHLLOKOSA-N -1 1 378.440 1.033 20 0 GDADMM CCc1ccccc1C(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571134400 952589175 /nfs/dbraw/zinc/58/91/75/952589175.db2.gz FOSLQVVTOYQJBT-CQSZACIVSA-N -1 1 378.440 1.936 20 0 GDADMM CCc1ccccc1C(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571134400 952589181 /nfs/dbraw/zinc/58/91/81/952589181.db2.gz FOSLQVVTOYQJBT-CQSZACIVSA-N -1 1 378.440 1.936 20 0 GDADMM CCc1nc(N[C@@H]2CCCN(C(=O)c3ccccc3)C2)cc(-c2nnn[n-]2)n1 ZINC001571134655 952593552 /nfs/dbraw/zinc/59/35/52/952593552.db2.gz JKNVEPCZECLPBE-CQSZACIVSA-N -1 1 378.440 1.936 20 0 GDADMM CCc1nc(N[C@@H]2CCCN(C(=O)c3ccccc3)C2)cc(-c2nn[n-]n2)n1 ZINC001571134655 952593556 /nfs/dbraw/zinc/59/35/56/952593556.db2.gz JKNVEPCZECLPBE-CQSZACIVSA-N -1 1 378.440 1.936 20 0 GDADMM Cc1cccc(C(=O)N2CCC[C@@H]2CNc2nc(C)cc(-c3nnn[n-]3)n2)c1 ZINC001571134660 952594125 /nfs/dbraw/zinc/59/41/25/952594125.db2.gz LFNFEDYMCRBXKX-OAHLLOKOSA-N -1 1 378.440 1.990 20 0 GDADMM Cc1cccc(C(=O)N2CCC[C@@H]2CNc2nc(C)cc(-c3nn[n-]n3)n2)c1 ZINC001571134660 952594132 /nfs/dbraw/zinc/59/41/32/952594132.db2.gz LFNFEDYMCRBXKX-OAHLLOKOSA-N -1 1 378.440 1.990 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1)c1ccccc1 ZINC001571134782 952595358 /nfs/dbraw/zinc/59/53/58/952595358.db2.gz LLZZZPILCXYVSS-UONOGXRCSA-N -1 1 378.440 1.721 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1)c1ccccc1 ZINC001571134782 952595361 /nfs/dbraw/zinc/59/53/61/952595361.db2.gz LLZZZPILCXYVSS-UONOGXRCSA-N -1 1 378.440 1.721 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2C=CC=CC=C2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571134874 952596637 /nfs/dbraw/zinc/59/66/37/952596637.db2.gz MIOBLQJSZZAIRB-DZGCQCFKSA-N -1 1 378.440 1.429 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2C=CC=CC=C2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571134874 952596640 /nfs/dbraw/zinc/59/66/40/952596640.db2.gz MIOBLQJSZZAIRB-DZGCQCFKSA-N -1 1 378.440 1.429 20 0 GDADMM CCCc1ccccc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571135234 952601455 /nfs/dbraw/zinc/60/14/55/952601455.db2.gz RRCPMFIMHOUBSG-CQSZACIVSA-N -1 1 378.440 1.358 20 0 GDADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC001571136972 952617276 /nfs/dbraw/zinc/61/72/76/952617276.db2.gz YNFCHDKUMOHOIT-HNNXBMFYSA-N -1 1 378.396 1.357 20 0 GDADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC001571136972 952617278 /nfs/dbraw/zinc/61/72/78/952617278.db2.gz YNFCHDKUMOHOIT-HNNXBMFYSA-N -1 1 378.396 1.357 20 0 GDADMM COc1ncc(NC(=O)c2cccc(NC(=O)C3CC3)c2)cc1-c1nn[n-]n1 ZINC001571140259 952624373 /nfs/dbraw/zinc/62/43/73/952624373.db2.gz PINBMCBTNZZXRG-UHFFFAOYSA-N -1 1 379.380 1.871 20 0 GDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1CCOC[C@@H]1C[C@H]1CCOC1 ZINC001571141528 952633781 /nfs/dbraw/zinc/63/37/81/952633781.db2.gz HZGWKIYYARGESX-NEPJUHHUSA-N -1 1 378.458 1.265 20 0 GDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1CCOC[C@H]1C[C@@H]1CCOC1 ZINC001571141531 952634043 /nfs/dbraw/zinc/63/40/43/952634043.db2.gz HZGWKIYYARGESX-NWDGAFQWSA-N -1 1 378.458 1.265 20 0 GDADMM Cc1cc[nH]c1C(=O)N[C@H]1C[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571142808 952646303 /nfs/dbraw/zinc/64/63/03/952646303.db2.gz ZNKNFJLDTLSOTC-OCAPTIKFSA-N -1 1 378.849 1.986 20 0 GDADMM Cc1cc[nH]c1C(=O)N[C@H]1C[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571142808 952646306 /nfs/dbraw/zinc/64/63/06/952646306.db2.gz ZNKNFJLDTLSOTC-OCAPTIKFSA-N -1 1 378.849 1.986 20 0 GDADMM O=C(NC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)c1c[nH]cc1C1CC1 ZINC001571146863 952654031 /nfs/dbraw/zinc/65/40/31/952654031.db2.gz OILNMKXTGIFQDK-LBPRGKRZSA-N -1 1 379.428 1.261 20 0 GDADMM O=C(NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)c1c[nH]cc1C1CC1 ZINC001571146863 952654034 /nfs/dbraw/zinc/65/40/34/952654034.db2.gz OILNMKXTGIFQDK-LBPRGKRZSA-N -1 1 379.428 1.261 20 0 GDADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)[C@@H]1CCCN(C(=O)c2ccccn2)C1 ZINC001571147734 952663578 /nfs/dbraw/zinc/66/35/78/952663578.db2.gz PFJKRTDKXQRJFJ-QWHCGFSZSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)c2ccccn2)C1 ZINC001571147734 952663580 /nfs/dbraw/zinc/66/35/80/952663580.db2.gz PFJKRTDKXQRJFJ-QWHCGFSZSA-N -1 1 379.428 1.405 20 0 GDADMM CCc1cncc(C(=O)N2C[C@@H](C)[C@H](Nc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571147863 952664625 /nfs/dbraw/zinc/66/46/25/952664625.db2.gz RFOIKXZDDVQSLO-BXUZGUMPSA-N -1 1 379.428 1.187 20 0 GDADMM CCc1cncc(C(=O)N2C[C@@H](C)[C@H](Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571147863 952664626 /nfs/dbraw/zinc/66/46/26/952664626.db2.gz RFOIKXZDDVQSLO-BXUZGUMPSA-N -1 1 379.428 1.187 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccccn2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571148454 952667366 /nfs/dbraw/zinc/66/73/66/952667366.db2.gz ZWYGKBHSCIUORJ-OLZOCXBDSA-N -1 1 379.428 1.262 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccccn2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571148454 952667370 /nfs/dbraw/zinc/66/73/70/952667370.db2.gz ZWYGKBHSCIUORJ-OLZOCXBDSA-N -1 1 379.428 1.262 20 0 GDADMM COc1ncc(NC(=O)N[C@@H]2CCC[C@@H]([S@](C)=O)C2)cc1-c1nn[n-]n1 ZINC001571151583 952675512 /nfs/dbraw/zinc/67/55/12/952675512.db2.gz RCBPSDYYZJJTQJ-SVEKZKSZSA-N -1 1 379.446 1.082 20 0 GDADMM CN(C[C@H]1CCCN(C(=O)CC(C)(F)F)C1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571155028 952691270 /nfs/dbraw/zinc/69/12/70/952691270.db2.gz DZISBSDUYLQKSI-LLVKDONJSA-N -1 1 380.403 1.377 20 0 GDADMM CN(C[C@H]1CCCN(C(=O)CC(C)(F)F)C1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571155028 952691272 /nfs/dbraw/zinc/69/12/72/952691272.db2.gz DZISBSDUYLQKSI-LLVKDONJSA-N -1 1 380.403 1.377 20 0 GDADMM CN(C[C@@H]1CCCN(C(=O)CC(C)(F)F)C1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571155029 952691523 /nfs/dbraw/zinc/69/15/23/952691523.db2.gz DZISBSDUYLQKSI-NSHDSACASA-N -1 1 380.403 1.377 20 0 GDADMM CN(C[C@@H]1CCCN(C(=O)CC(C)(F)F)C1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571155029 952691526 /nfs/dbraw/zinc/69/15/26/952691526.db2.gz DZISBSDUYLQKSI-NSHDSACASA-N -1 1 380.403 1.377 20 0 GDADMM CC(C)(C(=O)N1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1)C(F)F ZINC001571155416 952696420 /nfs/dbraw/zinc/69/64/20/952696420.db2.gz REAYGRAHQCTTOZ-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)(C(=O)N1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1)C(F)F ZINC001571155416 952696423 /nfs/dbraw/zinc/69/64/23/952696423.db2.gz REAYGRAHQCTTOZ-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM Cc1cc(C(=O)N2CCCC[C@H]2CNc2nccnc2-c2nnn[n-]2)ccn1 ZINC001571155987 952699934 /nfs/dbraw/zinc/69/99/34/952699934.db2.gz AAEOCVFIUQCLJH-AWEZNQCLSA-N -1 1 379.428 1.467 20 0 GDADMM Cc1cc(C(=O)N2CCCC[C@H]2CNc2nccnc2-c2nn[n-]n2)ccn1 ZINC001571155987 952699937 /nfs/dbraw/zinc/69/99/37/952699937.db2.gz AAEOCVFIUQCLJH-AWEZNQCLSA-N -1 1 379.428 1.467 20 0 GDADMM Cc1cnccc1C(=O)N[C@@H]1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571156104 952701547 /nfs/dbraw/zinc/70/15/47/952701547.db2.gz CJINILPUNYVUNI-TZMCWYRMSA-N -1 1 379.428 1.371 20 0 GDADMM Cc1cnccc1C(=O)N[C@@H]1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571156104 952701551 /nfs/dbraw/zinc/70/15/51/952701551.db2.gz CJINILPUNYVUNI-TZMCWYRMSA-N -1 1 379.428 1.371 20 0 GDADMM Cc1cnccc1C(=O)N1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571156716 952703274 /nfs/dbraw/zinc/70/32/74/952703274.db2.gz HQDRWWZTXOFBEQ-ZDUSSCGKSA-N -1 1 379.428 1.467 20 0 GDADMM Cc1cnccc1C(=O)N1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571156716 952703278 /nfs/dbraw/zinc/70/32/78/952703278.db2.gz HQDRWWZTXOFBEQ-ZDUSSCGKSA-N -1 1 379.428 1.467 20 0 GDADMM Cc1ccncc1C(=O)N1CCC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571156693 952703823 /nfs/dbraw/zinc/70/38/23/952703823.db2.gz HBYBEGZIPVQNSD-CYBMUJFWSA-N -1 1 379.428 1.324 20 0 GDADMM Cc1ccncc1C(=O)N1CCC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571156693 952703827 /nfs/dbraw/zinc/70/38/27/952703827.db2.gz HBYBEGZIPVQNSD-CYBMUJFWSA-N -1 1 379.428 1.324 20 0 GDADMM COc1ccc(C(=O)N2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C[C@H]2C)cc1 ZINC001571158302 952711187 /nfs/dbraw/zinc/71/11/87/952711187.db2.gz GLKDDXFROLROHG-YPMHNXCESA-N -1 1 380.412 1.380 20 0 GDADMM COc1ccc(C(=O)N2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C[C@H]2C)cc1 ZINC001571158302 952711190 /nfs/dbraw/zinc/71/11/90/952711190.db2.gz GLKDDXFROLROHG-YPMHNXCESA-N -1 1 380.412 1.380 20 0 GDADMM COc1ccc(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001571158476 952711943 /nfs/dbraw/zinc/71/19/43/952711943.db2.gz IXXDNIQDNVXDCU-BJHJDKERSA-N -1 1 380.412 1.286 20 0 GDADMM COc1ccc(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001571158476 952711945 /nfs/dbraw/zinc/71/19/45/952711945.db2.gz IXXDNIQDNVXDCU-BJHJDKERSA-N -1 1 380.412 1.286 20 0 GDADMM Cc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2ccnc(-c3nn[n-]n3)n2)co1 ZINC001571158531 952711985 /nfs/dbraw/zinc/71/19/85/952711985.db2.gz KVXWDONONQDNGQ-OKILXGFUSA-N -1 1 380.412 1.442 20 0 GDADMM Cc1ccoc1C(=O)NC1CC2(C1)CC(Nc1ccc(-c3nnn[n-]3)nn1)C2 ZINC001571160047 952723040 /nfs/dbraw/zinc/72/30/40/952723040.db2.gz BXQGYVFCLHVSDP-UHFFFAOYSA-N -1 1 380.412 1.711 20 0 GDADMM Cc1ccoc1C(=O)NC1CC2(C1)CC(Nc1ccc(-c3nn[n-]n3)nn1)C2 ZINC001571160047 952723045 /nfs/dbraw/zinc/72/30/45/952723045.db2.gz BXQGYVFCLHVSDP-UHFFFAOYSA-N -1 1 380.412 1.711 20 0 GDADMM Cc1ccoc1C(=O)N[C@]12CCC[C@H]1CN(c1nccnc1-c1nnn[n-]1)C2 ZINC001571160206 952723941 /nfs/dbraw/zinc/72/39/41/952723941.db2.gz DTRZWVVVNYSIOV-SGTLLEGYSA-N -1 1 380.412 1.347 20 0 GDADMM Cc1ccoc1C(=O)N[C@]12CCC[C@H]1CN(c1nccnc1-c1nn[n-]n1)C2 ZINC001571160206 952723942 /nfs/dbraw/zinc/72/39/42/952723942.db2.gz DTRZWVVVNYSIOV-SGTLLEGYSA-N -1 1 380.412 1.347 20 0 GDADMM O=C(N[C@H]1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1)c1ccccc1O ZINC001571160317 952724841 /nfs/dbraw/zinc/72/48/41/952724841.db2.gz GZCVKCMSNBSHFV-YPMHNXCESA-N -1 1 380.412 1.373 20 0 GDADMM O=C(N[C@H]1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1)c1ccccc1O ZINC001571160317 952724846 /nfs/dbraw/zinc/72/48/46/952724846.db2.gz GZCVKCMSNBSHFV-YPMHNXCESA-N -1 1 380.412 1.373 20 0 GDADMM Cc1cocc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001571160495 952726109 /nfs/dbraw/zinc/72/61/09/952726109.db2.gz IJXNCTJBXFSLPU-OLZOCXBDSA-N -1 1 380.412 1.442 20 0 GDADMM Cc1cocc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001571160495 952726113 /nfs/dbraw/zinc/72/61/13/952726113.db2.gz IJXNCTJBXFSLPU-OLZOCXBDSA-N -1 1 380.412 1.442 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@]3(NC(=O)[C@@H]4CC45CC5)CCC[C@@H]23)n1 ZINC001571169843 952779742 /nfs/dbraw/zinc/77/97/42/952779742.db2.gz PDLVMYWFFZPKJK-BBEJJTJUSA-N -1 1 380.456 1.383 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@]3(NC(=O)[C@@H]4CC45CC5)CCC[C@@H]23)n1 ZINC001571169843 952779745 /nfs/dbraw/zinc/77/97/45/952779745.db2.gz PDLVMYWFFZPKJK-BBEJJTJUSA-N -1 1 380.456 1.383 20 0 GDADMM O=C([C@H]1CC12CCC2)N1CC[C@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571171548 952793507 /nfs/dbraw/zinc/79/35/07/952793507.db2.gz BTDJNWCYBNNAHC-ACJLOTCBSA-N -1 1 380.456 1.276 20 0 GDADMM O=C([C@H]1CC[C@@H]2C[C@@H]2CC1)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1 ZINC001571171558 952794007 /nfs/dbraw/zinc/79/40/07/952794007.db2.gz BZTOOVOGXVAWHH-AICCOOGYSA-N -1 1 380.456 1.273 20 0 GDADMM O=C([C@H]1CC[C@@H]2C[C@@H]2CC1)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1 ZINC001571171558 952794010 /nfs/dbraw/zinc/79/40/10/952794010.db2.gz BZTOOVOGXVAWHH-AICCOOGYSA-N -1 1 380.456 1.273 20 0 GDADMM Cc1cnoc1C(=O)N1CC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571172211 952804525 /nfs/dbraw/zinc/80/45/25/952804525.db2.gz PGADUMSQLLDCMM-ZETCQYMHSA-N -1 1 380.821 1.600 20 0 GDADMM Cc1cnoc1C(=O)N1CC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571172211 952804530 /nfs/dbraw/zinc/80/45/30/952804530.db2.gz PGADUMSQLLDCMM-ZETCQYMHSA-N -1 1 380.821 1.600 20 0 GDADMM C[C@@H]1C[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CN1C(=O)c1cnco1 ZINC001571172313 952806096 /nfs/dbraw/zinc/80/60/96/952806096.db2.gz SMGAYVSEWCHTHE-RNFRBKRXSA-N -1 1 380.821 1.680 20 0 GDADMM CN(C(=O)c1cnc(C2CC2)o1)C1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571174681 952813323 /nfs/dbraw/zinc/81/33/23/952813323.db2.gz FBAMENBUWMSRNE-UHFFFAOYSA-N -1 1 381.400 1.237 20 0 GDADMM CN(C(=O)c1cnc(C2CC2)o1)C1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571174681 952813331 /nfs/dbraw/zinc/81/33/31/952813331.db2.gz FBAMENBUWMSRNE-UHFFFAOYSA-N -1 1 381.400 1.237 20 0 GDADMM Cc1noc(C2CC2)c1C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571175910 952826464 /nfs/dbraw/zinc/82/64/64/952826464.db2.gz HPTNCKMOVLXVNN-PHIMTYICSA-N -1 1 381.400 1.203 20 0 GDADMM Cc1noc(C2CC2)c1C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571175910 952826467 /nfs/dbraw/zinc/82/64/67/952826467.db2.gz HPTNCKMOVLXVNN-PHIMTYICSA-N -1 1 381.400 1.203 20 0 GDADMM O=C(c1coc(C2CCC2)n1)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571178736 952846971 /nfs/dbraw/zinc/84/69/71/952846971.db2.gz SDDRYWCEQSUGNH-NSHDSACASA-N -1 1 381.400 1.239 20 0 GDADMM O=C(c1coc(C2CCC2)n1)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571178736 952846977 /nfs/dbraw/zinc/84/69/77/952846977.db2.gz SDDRYWCEQSUGNH-NSHDSACASA-N -1 1 381.400 1.239 20 0 GDADMM C[C@H](C(=O)N(C)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)n1cccc1 ZINC001571180505 952860282 /nfs/dbraw/zinc/86/02/82/952860282.db2.gz QKFBGUFTVNEAKU-CYBMUJFWSA-N -1 1 381.444 1.147 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)c2ccn(C)c2C)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571183878 952884190 /nfs/dbraw/zinc/88/41/90/952884190.db2.gz LRXGXPASIWAPKN-UONOGXRCSA-N -1 1 381.444 1.091 20 0 GDADMM C[C@H](NC(=O)c1ccn(C)c1)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571184242 952890903 /nfs/dbraw/zinc/89/09/03/952890903.db2.gz UOTCFBUAQLEIEN-QWHCGFSZSA-N -1 1 381.444 1.030 20 0 GDADMM Cc1c(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H](C)C2)ccn1C ZINC001571184832 952897144 /nfs/dbraw/zinc/89/71/44/952897144.db2.gz DZIXSCRFMVGMRS-FZMZJTMJSA-N -1 1 381.444 1.266 20 0 GDADMM Cc1c(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H](C)C2)ccn1C ZINC001571184832 952897148 /nfs/dbraw/zinc/89/71/48/952897148.db2.gz DZIXSCRFMVGMRS-FZMZJTMJSA-N -1 1 381.444 1.266 20 0 GDADMM Cc1c[nH]cc1C(=O)N[C@@H]1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571184781 952897538 /nfs/dbraw/zinc/89/75/38/952897538.db2.gz DAKFILTZOKXEEQ-GXTWGEPZSA-N -1 1 381.444 1.694 20 0 GDADMM Cc1c[nH]cc1C(=O)N[C@@H]1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571184781 952897541 /nfs/dbraw/zinc/89/75/41/952897541.db2.gz DAKFILTZOKXEEQ-GXTWGEPZSA-N -1 1 381.444 1.694 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CCC[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571185285 952900715 /nfs/dbraw/zinc/90/07/15/952900715.db2.gz KJUNEMHLHMAZCT-CYBMUJFWSA-N -1 1 381.444 1.070 20 0 GDADMM Cc1c(C(=O)N2CC[C@](C)(CNc3nccnc3-c3nnn[n-]3)C2)ccn1C ZINC001571185503 952902060 /nfs/dbraw/zinc/90/20/60/952902060.db2.gz MNPBJUFDTFBYBC-GOSISDBHSA-N -1 1 381.444 1.268 20 0 GDADMM Cc1c(C(=O)N2CC[C@](C)(CNc3nccnc3-c3nn[n-]n3)C2)ccn1C ZINC001571185503 952902066 /nfs/dbraw/zinc/90/20/66/952902066.db2.gz MNPBJUFDTFBYBC-GOSISDBHSA-N -1 1 381.444 1.268 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)n1C ZINC001571187807 952910610 /nfs/dbraw/zinc/91/06/10/952910610.db2.gz CFKHXSTVHKVNAN-CHWSQXEVSA-N -1 1 381.444 1.314 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)n1C ZINC001571187807 952910613 /nfs/dbraw/zinc/91/06/13/952910613.db2.gz CFKHXSTVHKVNAN-CHWSQXEVSA-N -1 1 381.444 1.314 20 0 GDADMM Cc1cc(C)c(C(=O)NC[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)[nH]1 ZINC001571187987 952911628 /nfs/dbraw/zinc/91/16/28/952911628.db2.gz FCXDCUKJDIFIMQ-DGCLKSJQSA-N -1 1 381.444 1.104 20 0 GDADMM Cc1cc(C)c(C(=O)NC[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)[nH]1 ZINC001571187987 952911631 /nfs/dbraw/zinc/91/16/31/952911631.db2.gz FCXDCUKJDIFIMQ-DGCLKSJQSA-N -1 1 381.444 1.104 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@@H](N(C)c3cnc(-c4nnn[n-]4)cn3)C2)c(C)[nH]1 ZINC001571188531 952916291 /nfs/dbraw/zinc/91/62/91/952916291.db2.gz KYNWXNXTQGARLB-CYBMUJFWSA-N -1 1 381.444 1.343 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@@H](N(C)c3cnc(-c4nn[n-]n4)cn3)C2)c(C)[nH]1 ZINC001571188531 952916296 /nfs/dbraw/zinc/91/62/96/952916296.db2.gz KYNWXNXTQGARLB-CYBMUJFWSA-N -1 1 381.444 1.343 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@@H]2CN(C)c2ccc(-c3nnn[n-]3)nn2)n1C ZINC001571188896 952921630 /nfs/dbraw/zinc/92/16/30/952921630.db2.gz PBTMBONJKBRCHA-CYBMUJFWSA-N -1 1 381.444 1.045 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@@H]2CN(C)c2ccc(-c3nn[n-]n3)nn2)n1C ZINC001571188896 952921633 /nfs/dbraw/zinc/92/16/33/952921633.db2.gz PBTMBONJKBRCHA-CYBMUJFWSA-N -1 1 381.444 1.045 20 0 GDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001571195071 952973500 /nfs/dbraw/zinc/97/35/00/952973500.db2.gz XOZMLCUXMXWEQN-GFCCVEGCSA-N -1 1 382.384 1.187 20 0 GDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001571195071 952973503 /nfs/dbraw/zinc/97/35/03/952973503.db2.gz XOZMLCUXMXWEQN-GFCCVEGCSA-N -1 1 382.384 1.187 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H](N(C)c3cncc(-c4nnn[n-]4)n3)C2)ccc1F ZINC001571195568 952976560 /nfs/dbraw/zinc/97/65/60/952976560.db2.gz BWGWDFFCXGSRNI-ZDUSSCGKSA-N -1 1 382.403 1.455 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H](N(C)c3cncc(-c4nn[n-]n4)n3)C2)ccc1F ZINC001571195568 952976565 /nfs/dbraw/zinc/97/65/65/952976565.db2.gz BWGWDFFCXGSRNI-ZDUSSCGKSA-N -1 1 382.403 1.455 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cccc(F)c1 ZINC001571195695 952977725 /nfs/dbraw/zinc/97/77/25/952977725.db2.gz DQUJULVAXUQRMM-BXUZGUMPSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cccc(F)c1 ZINC001571195695 952977729 /nfs/dbraw/zinc/97/77/29/952977729.db2.gz DQUJULVAXUQRMM-BXUZGUMPSA-N -1 1 382.403 1.294 20 0 GDADMM Cc1cc(C(=O)N2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C[C@H]2C)ccc1F ZINC001571197401 952989776 /nfs/dbraw/zinc/98/97/76/952989776.db2.gz ZDEDPITVKNSECI-YPMHNXCESA-N -1 1 382.403 1.819 20 0 GDADMM Cc1cc(C(=O)N2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C[C@H]2C)ccc1F ZINC001571197401 952989779 /nfs/dbraw/zinc/98/97/79/952989779.db2.gz ZDEDPITVKNSECI-YPMHNXCESA-N -1 1 382.403 1.819 20 0 GDADMM C[C@H]1C[C@H](NC(=O)c2ccc(F)cc2)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571197376 952989873 /nfs/dbraw/zinc/98/98/73/952989873.db2.gz YGTRUJSHNILSRQ-SMDDNHRTSA-N -1 1 382.403 1.583 20 0 GDADMM Cc1cccc(F)c1C(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571197392 952990144 /nfs/dbraw/zinc/99/01/44/952990144.db2.gz YYJRXNBLUPUJAZ-LBPRGKRZSA-N -1 1 382.403 1.455 20 0 GDADMM CCc1occc1C(=O)N1CC[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571198526 952991170 /nfs/dbraw/zinc/99/11/70/952991170.db2.gz BBKCMZQPCPGIBB-LBPRGKRZSA-N -1 1 382.428 1.776 20 0 GDADMM CCc1occc1C(=O)N1CC[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571198526 952991173 /nfs/dbraw/zinc/99/11/73/952991173.db2.gz BBKCMZQPCPGIBB-LBPRGKRZSA-N -1 1 382.428 1.776 20 0 GDADMM CC(C)c1ccoc1C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571199972 953006081 /nfs/dbraw/zinc/00/60/81/953006081.db2.gz FROOGPVAWTVAGB-GFCCVEGCSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1ccoc1C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571199972 953006085 /nfs/dbraw/zinc/00/60/85/953006085.db2.gz FROOGPVAWTVAGB-GFCCVEGCSA-N -1 1 382.428 1.772 20 0 GDADMM Cc1cc(C(=O)N2CCCC[C@H]2CNc2nc(C)cc(-c3nnn[n-]3)n2)co1 ZINC001571200133 953007841 /nfs/dbraw/zinc/00/78/41/953007841.db2.gz AXRMCAFHIOROBI-AWEZNQCLSA-N -1 1 382.428 1.973 20 0 GDADMM Cc1cc(C(=O)N2CCCC[C@H]2CNc2nc(C)cc(-c3nn[n-]n3)n2)co1 ZINC001571200133 953007842 /nfs/dbraw/zinc/00/78/42/953007842.db2.gz AXRMCAFHIOROBI-AWEZNQCLSA-N -1 1 382.428 1.973 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CC[C@H](C)N(c3nccnc3-c3nnn[n-]3)C2)oc1C ZINC001571200556 953009747 /nfs/dbraw/zinc/00/97/47/953009747.db2.gz DLBYATHVKUASSM-WCQYABFASA-N -1 1 382.428 1.654 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CC[C@H](C)N(c3nccnc3-c3nn[n-]n3)C2)oc1C ZINC001571200556 953009748 /nfs/dbraw/zinc/00/97/48/953009748.db2.gz DLBYATHVKUASSM-WCQYABFASA-N -1 1 382.428 1.654 20 0 GDADMM Cc1ccoc1CC(=O)N1CC[C@@H]([C@@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571200569 953010829 /nfs/dbraw/zinc/01/08/29/953010829.db2.gz DWRFZZZCQMTGQG-CHWSQXEVSA-N -1 1 382.428 1.450 20 0 GDADMM Cc1ccoc1CC(=O)N1CC[C@@H]([C@@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571200569 953010832 /nfs/dbraw/zinc/01/08/32/953010832.db2.gz DWRFZZZCQMTGQG-CHWSQXEVSA-N -1 1 382.428 1.450 20 0 GDADMM Cc1cocc1C(=O)N[C@@H](C)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571200764 953011919 /nfs/dbraw/zinc/01/19/19/953011919.db2.gz FWGZPVWZJLASGX-QWHCGFSZSA-N -1 1 382.428 1.593 20 0 GDADMM Cc1cocc1C(=O)N[C@@H](C)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571200764 953011922 /nfs/dbraw/zinc/01/19/22/953011922.db2.gz FWGZPVWZJLASGX-QWHCGFSZSA-N -1 1 382.428 1.593 20 0 GDADMM Cc1cocc1C(=O)NC[C@@H]1CCCCN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001571200872 953012721 /nfs/dbraw/zinc/01/27/21/953012721.db2.gz HCWFXKRYRFOIPQ-ZDUSSCGKSA-N -1 1 382.428 1.655 20 0 GDADMM Cc1cocc1C(=O)NC[C@@H]1CCCCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001571200872 953012723 /nfs/dbraw/zinc/01/27/23/953012723.db2.gz HCWFXKRYRFOIPQ-ZDUSSCGKSA-N -1 1 382.428 1.655 20 0 GDADMM Cc1coc(C)c1C(=O)N1CC[C@](C)(CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571200999 953013241 /nfs/dbraw/zinc/01/32/41/953013241.db2.gz HTVFRCABYHBAFW-GOSISDBHSA-N -1 1 382.428 1.831 20 0 GDADMM Cc1coc(C)c1C(=O)N1CC[C@](C)(CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571200999 953013245 /nfs/dbraw/zinc/01/32/45/953013245.db2.gz HTVFRCABYHBAFW-GOSISDBHSA-N -1 1 382.428 1.831 20 0 GDADMM Cc1cc(C(=O)NC[C@@H]2CCCCN2c2ccc(-c3nnn[n-]3)nn2)oc1C ZINC001571201080 953014447 /nfs/dbraw/zinc/01/44/47/953014447.db2.gz JHTAMSRBCXQANG-ZDUSSCGKSA-N -1 1 382.428 1.655 20 0 GDADMM Cc1cc(C(=O)NC[C@@H]2CCCCN2c2ccc(-c3nn[n-]n3)nn2)oc1C ZINC001571201080 953014453 /nfs/dbraw/zinc/01/44/53/953014453.db2.gz JHTAMSRBCXQANG-ZDUSSCGKSA-N -1 1 382.428 1.655 20 0 GDADMM Cc1ccoc1CC(=O)N[C@@H]1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571201364 953017039 /nfs/dbraw/zinc/01/70/39/953017039.db2.gz LAXGPPDDUDPOIT-QWHCGFSZSA-N -1 1 382.428 1.498 20 0 GDADMM Cc1ccoc1CC(=O)N[C@@H]1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571201364 953017042 /nfs/dbraw/zinc/01/70/42/953017042.db2.gz LAXGPPDDUDPOIT-QWHCGFSZSA-N -1 1 382.428 1.498 20 0 GDADMM Cc1ccoc1CC(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001571201867 953020801 /nfs/dbraw/zinc/02/08/01/953020801.db2.gz OXBRTSZFJMYEKR-STQMWFEESA-N -1 1 382.428 1.450 20 0 GDADMM Cc1ccoc1CC(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001571201867 953020805 /nfs/dbraw/zinc/02/08/05/953020805.db2.gz OXBRTSZFJMYEKR-STQMWFEESA-N -1 1 382.428 1.450 20 0 GDADMM Cc1ccc(CC(=O)N2CCC[C@H](N(C)c3cncc(-c4nnn[n-]4)n3)C2)o1 ZINC001571202217 953022828 /nfs/dbraw/zinc/02/28/28/953022828.db2.gz RUIRYBGTBAHAIO-ZDUSSCGKSA-N -1 1 382.428 1.228 20 0 GDADMM Cc1ccc(CC(=O)N2CCC[C@H](N(C)c3cncc(-c4nn[n-]n4)n3)C2)o1 ZINC001571202217 953022832 /nfs/dbraw/zinc/02/28/32/953022832.db2.gz RUIRYBGTBAHAIO-ZDUSSCGKSA-N -1 1 382.428 1.228 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CC2(C)C)c(C)o1 ZINC001571202896 953029646 /nfs/dbraw/zinc/02/96/46/953029646.db2.gz ZUXIXIXGRKFWED-AWEZNQCLSA-N -1 1 382.428 1.511 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CC2(C)C)c(C)o1 ZINC001571202896 953029649 /nfs/dbraw/zinc/02/96/49/953029649.db2.gz ZUXIXIXGRKFWED-AWEZNQCLSA-N -1 1 382.428 1.511 20 0 GDADMM CC(C)n1cc(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@H]2C)cn1 ZINC001571205165 953036568 /nfs/dbraw/zinc/03/65/68/953036568.db2.gz GUUZCDAWZDZVHQ-DGCLKSJQSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1cc(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@H]2C)cn1 ZINC001571205165 953036572 /nfs/dbraw/zinc/03/65/72/953036572.db2.gz GUUZCDAWZDZVHQ-DGCLKSJQSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1cc(C(=O)NCC2CC(Nc3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001571205587 953039074 /nfs/dbraw/zinc/03/90/74/953039074.db2.gz JWFZJJLMIVQRMS-UHFFFAOYSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cc(C(=O)NCC2CC(Nc3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571205587 953039078 /nfs/dbraw/zinc/03/90/78/953039078.db2.gz JWFZJJLMIVQRMS-UHFFFAOYSA-N -1 1 382.432 1.055 20 0 GDADMM Cc1c[nH]c(C(=O)N2CCCC[C@H]2[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001571207038 953058828 /nfs/dbraw/zinc/05/88/28/953058828.db2.gz LTOKSEGCKMFDMG-AAEUAGOBSA-N -1 1 382.432 1.184 20 0 GDADMM Cc1c[nH]c(C(=O)N2CCCC[C@H]2[C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001571207038 953058832 /nfs/dbraw/zinc/05/88/32/953058832.db2.gz LTOKSEGCKMFDMG-AAEUAGOBSA-N -1 1 382.432 1.184 20 0 GDADMM Cc1nc[nH]c1C(=O)N(C)C1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571207506 953063609 /nfs/dbraw/zinc/06/36/09/953063609.db2.gz VEEZYNGRHPXKFJ-UHFFFAOYSA-N -1 1 382.432 1.184 20 0 GDADMM O=C(c1cccs1)N1CC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001571209645 953066159 /nfs/dbraw/zinc/06/61/59/953066159.db2.gz AGQYTZXYELLAAM-QGZVFWFLSA-N -1 1 382.453 1.461 20 0 GDADMM O=C(c1cccs1)N1CC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001571209645 953066163 /nfs/dbraw/zinc/06/61/63/953066163.db2.gz AGQYTZXYELLAAM-QGZVFWFLSA-N -1 1 382.453 1.461 20 0 GDADMM O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nnn[n-]3)cn1)C2)c1cccs1 ZINC001571210003 953069483 /nfs/dbraw/zinc/06/94/83/953069483.db2.gz LGRVNIHHPUOUKX-TUAOUCFPSA-N -1 1 382.453 1.506 20 0 GDADMM O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nn[n-]n3)cn1)C2)c1cccs1 ZINC001571210003 953069484 /nfs/dbraw/zinc/06/94/84/953069484.db2.gz LGRVNIHHPUOUKX-TUAOUCFPSA-N -1 1 382.453 1.506 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1CNC(=O)[C@]12C[C@H]1CCCC2 ZINC001571211554 953078957 /nfs/dbraw/zinc/07/89/57/953078957.db2.gz BIZAOPGBCFBRRP-QGDIXAPHSA-N -1 1 382.472 1.426 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1CNC(=O)[C@]12C[C@H]1CCCC2 ZINC001571211554 953078959 /nfs/dbraw/zinc/07/89/59/953078959.db2.gz BIZAOPGBCFBRRP-QGDIXAPHSA-N -1 1 382.472 1.426 20 0 GDADMM CN(C(=O)[C@@H]1C[C@H]1C1CC1)C1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571211743 953080247 /nfs/dbraw/zinc/08/02/47/953080247.db2.gz DVPUVSGTFAZWNV-PFSRBDOWSA-N -1 1 382.472 1.884 20 0 GDADMM CN(C(=O)[C@@H]1C[C@H]1C1CC1)C1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571211743 953080249 /nfs/dbraw/zinc/08/02/49/953080249.db2.gz DVPUVSGTFAZWNV-PFSRBDOWSA-N -1 1 382.472 1.884 20 0 GDADMM C[C@@H]1CC[C@H](NC(=O)C(C2CC2)C2CC2)CN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571211735 953080560 /nfs/dbraw/zinc/08/05/60/953080560.db2.gz DPZUOJQLTISOGR-RISCZKNCSA-N -1 1 382.472 1.566 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)C3(C4CC4)CC3)C[C@@H]2C)n1 ZINC001571212957 953091568 /nfs/dbraw/zinc/09/15/68/953091568.db2.gz OLGPKAIMZANULB-FZMZJTMJSA-N -1 1 382.472 1.804 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)C3(C4CC4)CC3)C[C@@H]2C)n1 ZINC001571212957 953091569 /nfs/dbraw/zinc/09/15/69/953091569.db2.gz OLGPKAIMZANULB-FZMZJTMJSA-N -1 1 382.472 1.804 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@]3(C)CN(C(=O)C4CCC4)C[C@]3(C)C2)n1 ZINC001571213242 953093691 /nfs/dbraw/zinc/09/36/91/953093691.db2.gz PZVKXRJYRBAHCZ-KDURUIRLSA-N -1 1 382.472 1.440 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@]3(C)CN(C(=O)C4CCC4)C[C@]3(C)C2)n1 ZINC001571213242 953093696 /nfs/dbraw/zinc/09/36/96/953093696.db2.gz PZVKXRJYRBAHCZ-KDURUIRLSA-N -1 1 382.472 1.440 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H]3[C@@H]2CCCN3C(=O)CCC2CC2)n1 ZINC001571213262 953094399 /nfs/dbraw/zinc/09/43/99/953094399.db2.gz QMZJCIOKOYYDHC-HOTGVXAUSA-N -1 1 382.472 1.725 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H]3[C@@H]2CCCN3C(=O)CCC2CC2)n1 ZINC001571213262 953094403 /nfs/dbraw/zinc/09/44/03/953094403.db2.gz QMZJCIOKOYYDHC-HOTGVXAUSA-N -1 1 382.472 1.725 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2CCC[C@@H]2C)n1 ZINC001571213572 953096129 /nfs/dbraw/zinc/09/61/29/953096129.db2.gz RWZFFKAWNOFFPR-MXJLERKLSA-N -1 1 382.472 1.342 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2CCC[C@@H]2C)n1 ZINC001571213572 953096132 /nfs/dbraw/zinc/09/61/32/953096132.db2.gz RWZFFKAWNOFFPR-MXJLERKLSA-N -1 1 382.472 1.342 20 0 GDADMM CCC1(C(=O)N2CCC3(CCN(c4ccnc(-c5nn[n-]n5)n4)C3)CC2)CC1 ZINC001571213635 953096899 /nfs/dbraw/zinc/09/68/99/953096899.db2.gz SLPQUWQRGZCMMB-UHFFFAOYSA-N -1 1 382.472 1.666 20 0 GDADMM CCCC(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571214382 953101553 /nfs/dbraw/zinc/10/15/53/953101553.db2.gz XZEGVVPNYHOARJ-YXWQFLTLSA-N -1 1 382.472 1.438 20 0 GDADMM CCCC(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571214382 953101555 /nfs/dbraw/zinc/10/15/55/953101555.db2.gz XZEGVVPNYHOARJ-YXWQFLTLSA-N -1 1 382.472 1.438 20 0 GDADMM CCCC(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001571214373 953101794 /nfs/dbraw/zinc/10/17/94/953101794.db2.gz XZEGVVPNYHOARJ-AYDFFVQHSA-N -1 1 382.472 1.438 20 0 GDADMM CCCC(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001571214373 953101795 /nfs/dbraw/zinc/10/17/95/953101795.db2.gz XZEGVVPNYHOARJ-AYDFFVQHSA-N -1 1 382.472 1.438 20 0 GDADMM CC1(C)C[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001571214458 953102430 /nfs/dbraw/zinc/10/24/30/953102430.db2.gz YYULMDCWMTZHPA-XJFOESAGSA-N -1 1 382.472 1.566 20 0 GDADMM CC1(C)C[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001571214458 953102433 /nfs/dbraw/zinc/10/24/33/953102433.db2.gz YYULMDCWMTZHPA-XJFOESAGSA-N -1 1 382.472 1.566 20 0 GDADMM O=C(NC[C@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1)C1CC2(CCC2)C1 ZINC001571216912 953104144 /nfs/dbraw/zinc/10/41/44/953104144.db2.gz CBLKQSTZLQOOCT-CQSZACIVSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(CC1CC1)N1CCC[C@@H]([C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571217237 953106523 /nfs/dbraw/zinc/10/65/23/953106523.db2.gz CWTLROYAQSTJCA-CABCVRRESA-N -1 1 382.472 1.522 20 0 GDADMM O=C(CC1CC1)N1CCC[C@@H]([C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571217237 953106525 /nfs/dbraw/zinc/10/65/25/953106525.db2.gz CWTLROYAQSTJCA-CABCVRRESA-N -1 1 382.472 1.522 20 0 GDADMM O=C(C1CCC1)N1CCC([C@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571217301 953107367 /nfs/dbraw/zinc/10/73/67/953107367.db2.gz DZTAUJOCXGKZOE-MRXNPFEDSA-N -1 1 382.472 1.664 20 0 GDADMM O=C(C1CCC1)N1CCC([C@H]2CCCN2c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571217301 953107369 /nfs/dbraw/zinc/10/73/69/953107369.db2.gz DZTAUJOCXGKZOE-MRXNPFEDSA-N -1 1 382.472 1.664 20 0 GDADMM C[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ncccc1F ZINC001571217391 953107977 /nfs/dbraw/zinc/10/79/77/953107977.db2.gz KOYOTCYHOZLEIN-MNOVXSKESA-N -1 1 383.391 1.296 20 0 GDADMM C[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ncccc1F ZINC001571217391 953107981 /nfs/dbraw/zinc/10/79/81/953107981.db2.gz KOYOTCYHOZLEIN-MNOVXSKESA-N -1 1 383.391 1.296 20 0 GDADMM O=C(NC[C@H]1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)[C@@H]1CCCC12CC2 ZINC001571217699 953110993 /nfs/dbraw/zinc/11/09/93/953110993.db2.gz IRCIUNVUDLNTKG-MJBXVCDLSA-N -1 1 382.472 1.934 20 0 GDADMM O=C(NC[C@H]1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)[C@@H]1CCCC12CC2 ZINC001571217699 953110996 /nfs/dbraw/zinc/11/09/96/953110996.db2.gz IRCIUNVUDLNTKG-MJBXVCDLSA-N -1 1 382.472 1.934 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1)c1nccs1 ZINC001571218090 953112577 /nfs/dbraw/zinc/11/25/77/953112577.db2.gz LNVKFCMMAFEOJZ-IZLXSQMJSA-N -1 1 382.862 1.806 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1)c1nccs1 ZINC001571218090 953112581 /nfs/dbraw/zinc/11/25/81/953112581.db2.gz LNVKFCMMAFEOJZ-IZLXSQMJSA-N -1 1 382.862 1.806 20 0 GDADMM O=C(NC[C@@H]1CCCCCN1c1cnc(-c2nnn[n-]2)cn1)C1CC2(CC2)C1 ZINC001571218816 953120158 /nfs/dbraw/zinc/12/01/58/953120158.db2.gz RRMDJODYVVDJTA-AWEZNQCLSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(NC[C@@H]1CCCCCN1c1cnc(-c2nn[n-]n2)cn1)C1CC2(CC2)C1 ZINC001571218816 953120161 /nfs/dbraw/zinc/12/01/61/953120161.db2.gz RRMDJODYVVDJTA-AWEZNQCLSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1(C2CCC2)CCC1 ZINC001571219072 953122438 /nfs/dbraw/zinc/12/24/38/953122438.db2.gz UMVHJQHTPBEGLA-AWEZNQCLSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1(C2CCC2)CCC1 ZINC001571219072 953122440 /nfs/dbraw/zinc/12/24/40/953122440.db2.gz UMVHJQHTPBEGLA-AWEZNQCLSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1cncc(F)c1 ZINC001571219688 953126738 /nfs/dbraw/zinc/12/67/38/953126738.db2.gz QDAACDDNKWHCQW-GWCFXTLKSA-N -1 1 383.391 1.201 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1cncc(F)c1 ZINC001571219688 953126740 /nfs/dbraw/zinc/12/67/40/953126740.db2.gz QDAACDDNKWHCQW-GWCFXTLKSA-N -1 1 383.391 1.201 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571222045 953130638 /nfs/dbraw/zinc/13/06/38/953130638.db2.gz AMLCPFNDQGZCET-NSHDSACASA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571222045 953130639 /nfs/dbraw/zinc/13/06/39/953130639.db2.gz AMLCPFNDQGZCET-NSHDSACASA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1nocc1C(=O)N1CC[C@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571224140 953149577 /nfs/dbraw/zinc/14/95/77/953149577.db2.gz YYTMFOLFPAKQFC-NSHDSACASA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1nocc1C(=O)N1CC[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571224140 953149580 /nfs/dbraw/zinc/14/95/80/953149580.db2.gz YYTMFOLFPAKQFC-NSHDSACASA-N -1 1 383.416 1.119 20 0 GDADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCCN1C(=O)Cc1cnoc1 ZINC001571224166 953149585 /nfs/dbraw/zinc/14/95/85/953149585.db2.gz ZUSFEIQQAFGRDS-SMDDNHRTSA-N -1 1 383.416 1.069 20 0 GDADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCCN1C(=O)Cc1cnoc1 ZINC001571224166 953149589 /nfs/dbraw/zinc/14/95/89/953149589.db2.gz ZUSFEIQQAFGRDS-SMDDNHRTSA-N -1 1 383.416 1.069 20 0 GDADMM Cc1conc1C(=O)N1CCC[C@@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571225588 953153043 /nfs/dbraw/zinc/15/30/43/953153043.db2.gz KRRVILSCJZCDRE-NWDGAFQWSA-N -1 1 383.416 1.306 20 0 GDADMM Cc1conc1C(=O)N1CCC[C@@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571225588 953153048 /nfs/dbraw/zinc/15/30/48/953153048.db2.gz KRRVILSCJZCDRE-NWDGAFQWSA-N -1 1 383.416 1.306 20 0 GDADMM Cc1cnoc1C(=O)N[C@H]1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571226994 953158511 /nfs/dbraw/zinc/15/85/11/953158511.db2.gz YLJJXXCMDUKDJX-RYUDHWBXSA-N -1 1 383.416 1.354 20 0 GDADMM Cc1cnoc1C(=O)N[C@H]1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571226994 953158514 /nfs/dbraw/zinc/15/85/14/953158514.db2.gz YLJJXXCMDUKDJX-RYUDHWBXSA-N -1 1 383.416 1.354 20 0 GDADMM Cc1nsc(NC[C@@]2(C)CCN(C(=O)[C@@H]3CC3(F)F)C2)c1-c1nn[n-]n1 ZINC001571229227 953168303 /nfs/dbraw/zinc/16/83/03/953168303.db2.gz BEWINJAQXOBCKL-LKFCYVNXSA-N -1 1 383.428 1.937 20 0 GDADMM CCc1cccnc1C(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571233959 953197733 /nfs/dbraw/zinc/19/77/33/953197733.db2.gz JCTHSJQNEVBBJZ-UHFFFAOYSA-N -1 1 383.481 1.842 20 0 GDADMM C[C@H]1CCCN(C(=O)CC(F)(F)F)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571234577 953203617 /nfs/dbraw/zinc/20/36/17/953203617.db2.gz CHOQOPJMHCTASC-GXSJLCMTSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H]1CCCN(C(=O)CC(F)(F)F)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571234577 953203619 /nfs/dbraw/zinc/20/36/19/953203619.db2.gz CHOQOPJMHCTASC-GXSJLCMTSA-N -1 1 384.366 1.648 20 0 GDADMM Cc1nsc(NC(=O)NCc2n[nH]cc2Br)c1-c1nnn[n-]1 ZINC001571234644 953204401 /nfs/dbraw/zinc/20/44/01/953204401.db2.gz FBTFPMUKVFCWEC-UHFFFAOYSA-N -1 1 384.223 1.439 20 0 GDADMM Cc1nsc(NC(=O)NCc2n[nH]cc2Br)c1-c1nn[n-]n1 ZINC001571234644 953204405 /nfs/dbraw/zinc/20/44/05/953204405.db2.gz FBTFPMUKVFCWEC-UHFFFAOYSA-N -1 1 384.223 1.439 20 0 GDADMM CO[C@H](C(=O)N1CC[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1)C1CC1 ZINC001571234939 953207332 /nfs/dbraw/zinc/20/73/32/953207332.db2.gz NLWHHTIWECKLEI-SCZZXKLOSA-N -1 1 383.865 1.414 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCCN(C(=O)CC(F)(F)F)C2)n1 ZINC001571235286 953211230 /nfs/dbraw/zinc/21/12/30/953211230.db2.gz ZANHBLMPGSUHRI-SNVBAGLBSA-N -1 1 384.366 1.568 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCCN(C(=O)CC(F)(F)F)C2)n1 ZINC001571235286 953211233 /nfs/dbraw/zinc/21/12/33/953211233.db2.gz ZANHBLMPGSUHRI-SNVBAGLBSA-N -1 1 384.366 1.568 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N[C@@H]1CC12CC(O)C2 ZINC001571236177 953216480 /nfs/dbraw/zinc/21/64/80/953216480.db2.gz UBRDSRSJUCVLHE-IGTVPJFBSA-N -1 1 384.375 1.226 20 0 GDADMM CCN(C(=O)c1sccc1C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571244564 953264671 /nfs/dbraw/zinc/26/46/71/953264671.db2.gz AVFRUHMVNQKZHB-LBPRGKRZSA-N -1 1 384.469 1.768 20 0 GDADMM CCN(C(=O)c1sccc1C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571244564 953264674 /nfs/dbraw/zinc/26/46/74/953264674.db2.gz AVFRUHMVNQKZHB-LBPRGKRZSA-N -1 1 384.469 1.768 20 0 GDADMM Cc1nsc(N[C@@H]2CCN(C(=O)c3cc(C)nc(C)c3)C2)c1-c1nn[n-]n1 ZINC001571244668 953265775 /nfs/dbraw/zinc/26/57/75/953265775.db2.gz DHIACXIQFUWFSN-CYBMUJFWSA-N -1 1 384.469 1.970 20 0 GDADMM Cc1cccnc1[C@@H](C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC001571245031 953269594 /nfs/dbraw/zinc/26/95/94/953269594.db2.gz CROUCDRMPKRGHZ-LLVKDONJSA-N -1 1 384.448 1.211 20 0 GDADMM Cc1cccnc1[C@@H](C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC001571245031 953269597 /nfs/dbraw/zinc/26/95/97/953269597.db2.gz CROUCDRMPKRGHZ-LLVKDONJSA-N -1 1 384.448 1.211 20 0 GDADMM Cc1csc(C(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)[C@@H](C)C2)c1 ZINC001571245078 953269794 /nfs/dbraw/zinc/26/97/94/953269794.db2.gz NLFXKGSXIWYSOG-NWDGAFQWSA-N -1 1 384.469 1.989 20 0 GDADMM Cc1csc(C(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)[C@@H](C)C2)c1 ZINC001571245078 953269796 /nfs/dbraw/zinc/26/97/96/953269796.db2.gz NLFXKGSXIWYSOG-NWDGAFQWSA-N -1 1 384.469 1.989 20 0 GDADMM CCc1ccc(C(=O)N2C[C@@H](C)[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)s1 ZINC001571245558 953274318 /nfs/dbraw/zinc/27/43/18/953274318.db2.gz VHRPHFQBIHPFEV-MFKMUULPSA-N -1 1 384.469 1.853 20 0 GDADMM CCc1ccc(C(=O)N2C[C@@H](C)[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)s1 ZINC001571245558 953274320 /nfs/dbraw/zinc/27/43/20/953274320.db2.gz VHRPHFQBIHPFEV-MFKMUULPSA-N -1 1 384.469 1.853 20 0 GDADMM Cc1ccc(C(=O)N2CCC(CNc3cnc(-c4nnn[n-]4)cn3)CC2)s1 ZINC001571245518 953274494 /nfs/dbraw/zinc/27/44/94/953274494.db2.gz UDABHEXCGZRIPQ-UHFFFAOYSA-N -1 1 384.469 1.991 20 0 GDADMM Cc1ccc(C(=O)N2CCC(CNc3cnc(-c4nn[n-]n4)cn3)CC2)s1 ZINC001571245518 953274496 /nfs/dbraw/zinc/27/44/96/953274496.db2.gz UDABHEXCGZRIPQ-UHFFFAOYSA-N -1 1 384.469 1.991 20 0 GDADMM CC(C)c1ccsc1C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571245721 953276363 /nfs/dbraw/zinc/27/63/63/953276363.db2.gz LFXZZHXMEGCXTI-LLVKDONJSA-N -1 1 384.469 1.850 20 0 GDADMM CC(C)c1ccsc1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571245721 953276366 /nfs/dbraw/zinc/27/63/66/953276366.db2.gz LFXZZHXMEGCXTI-LLVKDONJSA-N -1 1 384.469 1.850 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)c1cccs1 ZINC001571246167 953281001 /nfs/dbraw/zinc/28/10/01/953281001.db2.gz VHMGTLCFMCPAHS-SRVKXCTJSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)c1cccs1 ZINC001571246167 953281004 /nfs/dbraw/zinc/28/10/04/953281004.db2.gz VHMGTLCFMCPAHS-SRVKXCTJSA-N -1 1 384.469 1.829 20 0 GDADMM Cc1nsc(N2CCN(C(=O)CCc3cccnc3)CC2)c1-c1nn[n-]n1 ZINC001571247961 953288063 /nfs/dbraw/zinc/28/80/63/953288063.db2.gz JLXJEHNKNXKWPY-UHFFFAOYSA-N -1 1 384.469 1.308 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)N1CCC(CCNc2nccnc2-c2nnn[n-]2)CC1 ZINC001571248989 953299550 /nfs/dbraw/zinc/29/95/50/953299550.db2.gz AGJHWFVFPQXCIJ-GJZGRUSLSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)N1CCC(CCNc2nccnc2-c2nn[n-]n2)CC1 ZINC001571248989 953299553 /nfs/dbraw/zinc/29/95/53/953299553.db2.gz AGJHWFVFPQXCIJ-GJZGRUSLSA-N -1 1 384.488 1.989 20 0 GDADMM CC[C@@H]1CCCC[C@H]1C(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571249103 953300643 /nfs/dbraw/zinc/30/06/43/953300643.db2.gz DGEXPFYBRFGRSO-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM CC[C@@H]1CCCC[C@H]1C(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571249103 953300649 /nfs/dbraw/zinc/30/06/49/953300649.db2.gz DGEXPFYBRFGRSO-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CCC[C@@H]1C(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571249169 953301866 /nfs/dbraw/zinc/30/18/66/953301866.db2.gz FDVNQMVHYJVOBI-ZIAGYGMSSA-N -1 1 384.488 1.698 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CC2CC(C)(C)C2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571251178 953315506 /nfs/dbraw/zinc/31/55/06/953315506.db2.gz WSRPYMHQEADPDE-OCCSQVGLSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CC2CC(C)(C)C2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571251178 953315509 /nfs/dbraw/zinc/31/55/09/953315509.db2.gz WSRPYMHQEADPDE-OCCSQVGLSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H]1CC[C@H](C(=O)NC[C@H]2CCCCN2c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571251840 953320270 /nfs/dbraw/zinc/32/02/70/953320270.db2.gz AYGMYIHLJSPIRZ-RBSFLKMASA-N -1 1 384.488 1.958 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@H]2CCCN2C(=O)[C@H](C)C2CCC2)n1 ZINC001571252038 953323236 /nfs/dbraw/zinc/32/32/36/953323236.db2.gz FWVGSYBQVUGBQU-UKRRQHHQSA-N -1 1 384.488 1.829 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@H]2CCCN2C(=O)[C@H](C)C2CCC2)n1 ZINC001571252038 953323241 /nfs/dbraw/zinc/32/32/41/953323241.db2.gz FWVGSYBQVUGBQU-UKRRQHHQSA-N -1 1 384.488 1.829 20 0 GDADMM CCc1nc(NC[C@H]2CC[C@H](NC(=O)[C@H]3C[C@@H]3C)CC2)cc(-c2nnn[n-]2)n1 ZINC001571252323 953325980 /nfs/dbraw/zinc/32/59/80/953325980.db2.gz LAPCXHKMLYGJON-XUXIUFHCSA-N -1 1 384.488 1.962 20 0 GDADMM CCc1nc(NC[C@H]2CC[C@H](NC(=O)[C@H]3C[C@@H]3C)CC2)cc(-c2nn[n-]n2)n1 ZINC001571252323 953325985 /nfs/dbraw/zinc/32/59/85/953325985.db2.gz LAPCXHKMLYGJON-XUXIUFHCSA-N -1 1 384.488 1.962 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)c(Cl)c1 ZINC001571256330 953371421 /nfs/dbraw/zinc/37/14/21/953371421.db2.gz VDLIFOMAEYXLCT-LLVKDONJSA-N -1 1 384.831 1.627 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)c(Cl)c1 ZINC001571256330 953371431 /nfs/dbraw/zinc/37/14/31/953371431.db2.gz VDLIFOMAEYXLCT-LLVKDONJSA-N -1 1 384.831 1.627 20 0 GDADMM CNS(=O)(=O)c1cc(NC(=O)CN2CCCC[C@@H]2CCC(=O)[O-])ccc1C ZINC000424263288 953442736 /nfs/dbraw/zinc/44/27/36/953442736.db2.gz RPZGOTQMBQEBKR-OAHLLOKOSA-N -1 1 397.497 1.561 20 0 GDADMM C[C@@H]1CCN(C(=O)NCCCN2CCN(c3ccccc3)CC2)C[C@H]1C(=O)[O-] ZINC000517029103 953544343 /nfs/dbraw/zinc/54/43/43/953544343.db2.gz VASLZFWILMEHAK-IEBWSBKVSA-N -1 1 388.512 1.951 20 0 GDADMM COc1ccc(C)cc1NC(=O)CNC(=O)CN1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC000571881354 953665961 /nfs/dbraw/zinc/66/59/61/953665961.db2.gz QAEGZJRPQNDHBS-KBPBESRZSA-N -1 1 377.441 1.243 20 0 GDADMM CC1(C(=O)[O-])CCN(CC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)CC1 ZINC000592399079 953745098 /nfs/dbraw/zinc/74/50/98/953745098.db2.gz LORZYNHPRHQQEB-UHFFFAOYSA-N -1 1 391.424 1.683 20 0 GDADMM O=C([O-])[C@H](C(=O)Nc1cccc(S(=O)(=O)Nc2ncccn2)c1)C1CC1 ZINC001594836865 954031130 /nfs/dbraw/zinc/03/11/30/954031130.db2.gz COSIRIVZBKMDEB-ZDUSSCGKSA-N -1 1 376.394 1.327 20 0 GDADMM CCN1CCN(CC(C)(C)NC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1 ZINC000655900440 954281540 /nfs/dbraw/zinc/28/15/40/954281540.db2.gz SRWBVXZLYJCTRF-OWCLPIDISA-N -1 1 382.549 1.837 20 0 GDADMM CN(CCC(=O)[O-])C(=O)Nc1cccc(S(=O)(=O)Nc2ncccn2)c1 ZINC001593735833 954335683 /nfs/dbraw/zinc/33/56/83/954335683.db2.gz LHDIPHISASOESD-UHFFFAOYSA-N -1 1 379.398 1.216 20 0 GDADMM C[C@@H]1CN(CCCNC(=O)NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)C[C@H](C)O1 ZINC001589398963 954393141 /nfs/dbraw/zinc/39/31/41/954393141.db2.gz BCPFACABKJHJAL-DOWLLFGTSA-N -1 1 383.489 1.197 20 0 GDADMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cc1cccnc1Cl ZINC001594888309 954484741 /nfs/dbraw/zinc/48/47/41/954484741.db2.gz BXILPWAKSBJAOK-KOLCDFICSA-N -1 1 393.749 1.400 20 0 GDADMM O=C([O-])C1=NO[C@@H](C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)C1 ZINC001594893279 954551934 /nfs/dbraw/zinc/55/19/34/954551934.db2.gz ZPUMHWBVCXTRSO-MRXNPFEDSA-N -1 1 394.859 1.198 20 0 GDADMM O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1C[C@H]1CCC[C@@]2(CCOC2)O1 ZINC001594895322 954561454 /nfs/dbraw/zinc/56/14/54/954561454.db2.gz FHXJGAGALWMQGA-FOCJUVANSA-N -1 1 394.390 1.311 20 0 GDADMM Cc1nc(C(=O)N2CCCC[C@H]2CC(=O)[O-])nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000679397967 954593976 /nfs/dbraw/zinc/59/39/76/954593976.db2.gz WZDYBGIOLHHPRA-QMMMGPOBSA-N -1 1 387.322 1.182 20 0 GDADMM O=C([O-])[C@H]1CN(C(=O)c2nc[nH]c(=O)c2Br)Cc2ccccc21 ZINC001594951093 954947637 /nfs/dbraw/zinc/94/76/37/954947637.db2.gz LDBOGOZQNJGNCB-JTQLQIEISA-N -1 1 378.182 1.769 20 0 GDADMM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cc(Cl)c2ccccc2c1O ZINC001594959781 955002009 /nfs/dbraw/zinc/00/20/09/955002009.db2.gz FNBJTTLNLQAVRJ-ZDUSSCGKSA-N -1 1 383.809 1.523 20 0 GDADMM CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN1CC[C@@H](C(=O)[O-])C1 ZINC000818357403 955396191 /nfs/dbraw/zinc/39/61/91/955396191.db2.gz IEXCLIAKHAIYDL-GFCCVEGCSA-N -1 1 380.470 1.213 20 0 GDADMM Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(C(=O)Nc3cnn(-c4ccncc4)c3)C2)cn1 ZINC001594540450 955636037 /nfs/dbraw/zinc/63/60/37/955636037.db2.gz QENHZHDZOIBTSQ-KBPBESRZSA-N -1 1 395.423 1.723 20 0 GDADMM O=C([O-])C[C@@H]1CCCCN1C(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000846712749 955721165 /nfs/dbraw/zinc/72/11/65/955721165.db2.gz KYBPZIHANWOWAU-LBPRGKRZSA-N -1 1 375.450 1.931 20 0 GDADMM Cc1noc(C)c1[C@H](C)C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000851704237 955828394 /nfs/dbraw/zinc/82/83/94/955828394.db2.gz UPZWRUZIOBFCBK-JWYUURKGSA-N -1 1 391.346 1.518 20 0 GDADMM CCO[C@H](C)c1noc(CN2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])n1 ZINC000852734380 955841423 /nfs/dbraw/zinc/84/14/23/955841423.db2.gz AMBOCZOEXZRQNH-KKZNHRDASA-N -1 1 394.350 1.263 20 0 GDADMM Cc1oc(C)c(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])c1C ZINC000852957531 955887017 /nfs/dbraw/zinc/88/70/17/955887017.db2.gz QVKSSCLJCQSFLM-JQWIXIFHSA-N -1 1 376.331 1.941 20 0 GDADMM O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)C1CCC(F)(F)CC1 ZINC000852958220 955891222 /nfs/dbraw/zinc/89/12/22/955891222.db2.gz GXLKPJGCXXWASL-NXEZZACHSA-N -1 1 386.317 1.935 20 0 GDADMM O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1Cc1cccc2c1CCOC2 ZINC000873643219 956073671 /nfs/dbraw/zinc/07/36/71/956073671.db2.gz HBEBIIZZRJIYLJ-GJZGRUSLSA-N -1 1 386.370 1.855 20 0 GDADMM CC(C)Oc1ccnc(CN2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])c1 ZINC001603086914 972160883 /nfs/dbraw/zinc/16/08/83/972160883.db2.gz ZGBHDTBYPIOAKN-UONOGXRCSA-N -1 1 389.374 1.965 20 0 GDADMM CC(=O)c1cc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])cs1 ZINC001573355555 958574830 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/nfs/dbraw/zinc/99/37/99/598993799.db2.gz RAANAAUEMOCBOJ-UHFFFAOYSA-N -1 1 380.408 1.954 20 0 GDADMM COc1ccc(OC2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)cc1 ZINC000737109998 598993801 /nfs/dbraw/zinc/99/38/01/598993801.db2.gz RAANAAUEMOCBOJ-UHFFFAOYSA-N -1 1 380.408 1.954 20 0 GDADMM COc1ccccc1N1CCC(NC(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000737154028 599004533 /nfs/dbraw/zinc/00/45/33/599004533.db2.gz YNBWQLDARQKQEL-UHFFFAOYSA-N -1 1 379.424 1.669 20 0 GDADMM COc1ccccc1N1CCC(NC(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000737154028 599004535 /nfs/dbraw/zinc/00/45/35/599004535.db2.gz YNBWQLDARQKQEL-UHFFFAOYSA-N -1 1 379.424 1.669 20 0 GDADMM O=C(NCc1ccnc(N2CCCCCC2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738123567 599005188 /nfs/dbraw/zinc/00/51/88/599005188.db2.gz GWLNBNRQVYZIAS-UHFFFAOYSA-N -1 1 378.440 1.967 20 0 GDADMM O=C(NCc1ccnc(N2CCCCCC2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738123567 599005190 /nfs/dbraw/zinc/00/51/90/599005190.db2.gz GWLNBNRQVYZIAS-UHFFFAOYSA-N -1 1 378.440 1.967 20 0 GDADMM CCC[C@@H](O)CC(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000736435696 599016750 /nfs/dbraw/zinc/01/67/50/599016750.db2.gz NLDHALXOAAUDBK-CYBMUJFWSA-N -1 1 399.411 1.085 20 0 GDADMM CCC[C@@H](O)CC(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736435696 599016752 /nfs/dbraw/zinc/01/67/52/599016752.db2.gz NLDHALXOAAUDBK-CYBMUJFWSA-N -1 1 399.411 1.085 20 0 GDADMM CCOC(=O)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)Cc1ccccc1 ZINC000736590121 599025128 /nfs/dbraw/zinc/02/51/28/599025128.db2.gz FGOOYZOOROQWEH-HNNXBMFYSA-N -1 1 380.408 1.414 20 0 GDADMM CCOC(=O)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)Cc1ccccc1 ZINC000736590121 599025129 /nfs/dbraw/zinc/02/51/29/599025129.db2.gz FGOOYZOOROQWEH-HNNXBMFYSA-N -1 1 380.408 1.414 20 0 GDADMM CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735768572 599030679 /nfs/dbraw/zinc/03/06/79/599030679.db2.gz AHVNFDWAGSQBSP-ZDUSSCGKSA-N -1 1 389.460 1.931 20 0 GDADMM CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735768572 599030681 /nfs/dbraw/zinc/03/06/81/599030681.db2.gz AHVNFDWAGSQBSP-ZDUSSCGKSA-N -1 1 389.460 1.931 20 0 GDADMM CC(C)c1noc([C@H](C)N2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)n1 ZINC000735953128 599030980 /nfs/dbraw/zinc/03/09/80/599030980.db2.gz OWJOSUYXIQQMOR-LBPRGKRZSA-N -1 1 397.443 1.287 20 0 GDADMM CC(C)c1noc([C@H](C)N2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)n1 ZINC000735953128 599030982 /nfs/dbraw/zinc/03/09/82/599030982.db2.gz OWJOSUYXIQQMOR-LBPRGKRZSA-N -1 1 397.443 1.287 20 0 GDADMM CC(C)N1C(=S)N=NC1C1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000735953789 599031211 /nfs/dbraw/zinc/03/12/11/599031211.db2.gz LGDWFQHTCPCCKS-UHFFFAOYSA-N -1 1 399.484 1.743 20 0 GDADMM CC(C)N1C(=S)N=NC1C1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000735953789 599031213 /nfs/dbraw/zinc/03/12/13/599031213.db2.gz LGDWFQHTCPCCKS-UHFFFAOYSA-N -1 1 399.484 1.743 20 0 GDADMM O=C(NCc1ccnc(OC2CCOCC2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738122910 599033826 /nfs/dbraw/zinc/03/38/26/599033826.db2.gz AFBHJDOIHCJKKP-UHFFFAOYSA-N -1 1 381.396 1.145 20 0 GDADMM O=C(NCc1ccnc(OC2CCOCC2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738122910 599033828 /nfs/dbraw/zinc/03/38/28/599033828.db2.gz AFBHJDOIHCJKKP-UHFFFAOYSA-N -1 1 381.396 1.145 20 0 GDADMM CCc1nn(C[C@@H](O)COc2ccccc2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705008 599050923 /nfs/dbraw/zinc/05/09/23/599050923.db2.gz BRVBHIINCIRXHQ-CYBMUJFWSA-N -1 1 384.440 1.297 20 0 GDADMM O=S(=O)(NCCNc1ccc2ccccc2n1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738340213 599051944 /nfs/dbraw/zinc/05/19/44/599051944.db2.gz XKMWGVCCFNNGDY-UHFFFAOYSA-N -1 1 396.436 1.200 20 0 GDADMM O=S(=O)(NCCNc1ccc2ccccc2n1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738340213 599051947 /nfs/dbraw/zinc/05/19/47/599051947.db2.gz XKMWGVCCFNNGDY-UHFFFAOYSA-N -1 1 396.436 1.200 20 0 GDADMM Cc1c(C(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)nnn1C ZINC000737215326 599078138 /nfs/dbraw/zinc/07/81/38/599078138.db2.gz ZXARKUFBERIJPF-UHFFFAOYSA-N -1 1 380.437 1.962 20 0 GDADMM COCc1csc(NC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)n1 ZINC000737022309 599109223 /nfs/dbraw/zinc/10/92/23/599109223.db2.gz QWNQVNCQHSZAEP-UHFFFAOYSA-N -1 1 379.427 1.544 20 0 GDADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CS[C@H](C)C(C)C)CC2)o1 ZINC000822423162 599132059 /nfs/dbraw/zinc/13/20/59/599132059.db2.gz IIEMFUYAZXMUKT-LLVKDONJSA-N -1 1 379.490 1.589 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)NC1C2CC3CC(C2)CC1C3 ZINC000737907350 599141286 /nfs/dbraw/zinc/14/12/86/599141286.db2.gz CKWFWQWZPOMMTA-UHFFFAOYSA-N -1 1 382.424 1.359 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)NC1C2CC3CC(C2)CC1C3 ZINC000737907350 599141288 /nfs/dbraw/zinc/14/12/88/599141288.db2.gz CKWFWQWZPOMMTA-UHFFFAOYSA-N -1 1 382.424 1.359 20 0 GDADMM COc1ccccc1[C@H](C)NC(=O)[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737143022 599141597 /nfs/dbraw/zinc/14/15/97/599141597.db2.gz RQOJGVSMFWTIKQ-NWDGAFQWSA-N -1 1 396.407 1.693 20 0 GDADMM COc1ccccc1[C@H](C)NC(=O)[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737143022 599141598 /nfs/dbraw/zinc/14/15/98/599141598.db2.gz RQOJGVSMFWTIKQ-NWDGAFQWSA-N -1 1 396.407 1.693 20 0 GDADMM O=C(c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1)N1CCNC(=O)C1 ZINC000738301823 599198148 /nfs/dbraw/zinc/19/81/48/599198148.db2.gz CEXISTMUZSASFL-UHFFFAOYSA-N -1 1 398.810 1.884 20 0 GDADMM CCOC(=O)COc1ccc(CCNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000821330848 599204214 /nfs/dbraw/zinc/20/42/14/599204214.db2.gz UXRRKFWAKJQSEU-UHFFFAOYSA-N -1 1 396.407 1.176 20 0 GDADMM CCOC(=O)COc1ccc(CCNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000821330848 599204215 /nfs/dbraw/zinc/20/42/15/599204215.db2.gz UXRRKFWAKJQSEU-UHFFFAOYSA-N -1 1 396.407 1.176 20 0 GDADMM COc1cccc(-c2noc([C@@H](C)NC(=O)c3ccc(-c4nnn[n-]4)nc3)n2)c1 ZINC000821854659 599215456 /nfs/dbraw/zinc/21/54/56/599215456.db2.gz QRJGNBDTXRXSBL-SNVBAGLBSA-N -1 1 392.379 1.811 20 0 GDADMM COc1cccc(-c2noc([C@@H](C)NC(=O)c3ccc(-c4nn[n-]n4)nc3)n2)c1 ZINC000821854659 599215459 /nfs/dbraw/zinc/21/54/59/599215459.db2.gz QRJGNBDTXRXSBL-SNVBAGLBSA-N -1 1 392.379 1.811 20 0 GDADMM CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735636268 599222205 /nfs/dbraw/zinc/22/22/05/599222205.db2.gz ROBSLONKYAHYFX-YPMHNXCESA-N -1 1 387.444 1.685 20 0 GDADMM CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735636268 599222207 /nfs/dbraw/zinc/22/22/07/599222207.db2.gz ROBSLONKYAHYFX-YPMHNXCESA-N -1 1 387.444 1.685 20 0 GDADMM CN1CCN(c2cc(CNC(=O)NCc3ccc(C(=O)[O-])cc3)ccn2)CC1 ZINC000818481998 597213674 /nfs/dbraw/zinc/21/36/74/597213674.db2.gz CNSZZSDHJLJDJH-UHFFFAOYSA-N -1 1 383.452 1.531 20 0 GDADMM O=C([O-])c1ccc(CNC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000738499524 597302169 /nfs/dbraw/zinc/30/21/69/597302169.db2.gz RRXORTSGTPVYSZ-NRFANRHFSA-N -1 1 383.448 1.821 20 0 GDADMM CN1CCN(c2ncccc2CNC(=O)Nc2ccccc2CC(=O)[O-])CC1 ZINC000818481992 597327801 /nfs/dbraw/zinc/32/78/01/597327801.db2.gz CBEDLOVRQQCVOZ-UHFFFAOYSA-N -1 1 383.452 1.782 20 0 GDADMM CCS(=O)(=O)Nc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1OC ZINC000821441816 607313160 /nfs/dbraw/zinc/31/31/60/607313160.db2.gz PAHXENWRSYWDSH-UHFFFAOYSA-N -1 1 378.414 1.842 20 0 GDADMM CCS(=O)(=O)Nc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1OC ZINC000821441816 607313161 /nfs/dbraw/zinc/31/31/61/607313161.db2.gz PAHXENWRSYWDSH-UHFFFAOYSA-N -1 1 378.414 1.842 20 0 GDADMM CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000820544001 597511114 /nfs/dbraw/zinc/51/11/14/597511114.db2.gz WNOKNTKXNHSDRZ-QGZVFWFLSA-N -1 1 384.436 1.665 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@@H](C)Cc2cccc(O)c2)cc1-c1nn[n-]n1 ZINC000821970135 607324793 /nfs/dbraw/zinc/32/47/93/607324793.db2.gz IPLZSAJFHVZVDE-VIFPVBQESA-N -1 1 386.437 1.756 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCCC[C@@H]2CCCC[C@H]2O)cc1-c1nn[n-]n1 ZINC000821978345 607324796 /nfs/dbraw/zinc/32/47/96/607324796.db2.gz LUESGEKVMBUITA-GXFFZTMASA-N -1 1 392.485 1.750 20 0 GDADMM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000821841361 607327995 /nfs/dbraw/zinc/32/79/95/607327995.db2.gz HZUKWSXMQRJFNT-UHFFFAOYSA-N -1 1 379.373 1.824 20 0 GDADMM O=C([O-])[C@@H]1CCN(Cn2c(=O)oc3cc(I)ccc32)C1 ZINC000821511243 598201973 /nfs/dbraw/zinc/20/19/73/598201973.db2.gz QZOHPNRIKKHNMD-MRVPVSSYSA-N -1 1 388.161 1.563 20 0 GDADMM CN(CCOc1ccc(F)cc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736802378 598261917 /nfs/dbraw/zinc/26/19/17/598261917.db2.gz RETACVSFFYOEBW-UHFFFAOYSA-N -1 1 378.389 1.100 20 0 GDADMM CN(CCOc1ccc(F)cc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736802378 598261918 /nfs/dbraw/zinc/26/19/18/598261918.db2.gz RETACVSFFYOEBW-UHFFFAOYSA-N -1 1 378.389 1.100 20 0 GDADMM COC(=O)Nc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736940209 598265800 /nfs/dbraw/zinc/26/58/00/598265800.db2.gz QNEKXWMRBBFCRH-UHFFFAOYSA-N -1 1 376.354 1.208 20 0 GDADMM COC(=O)Nc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736940209 598265802 /nfs/dbraw/zinc/26/58/02/598265802.db2.gz QNEKXWMRBBFCRH-UHFFFAOYSA-N -1 1 376.354 1.208 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)O[C@H](C(=O)N(C)C)C(C)C ZINC000737546791 598288168 /nfs/dbraw/zinc/28/81/68/598288168.db2.gz GCPQGMGHZMIRCQ-AWEZNQCLSA-N -1 1 386.412 1.828 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)O[C@H](C(=O)N(C)C)C(C)C ZINC000737546791 598288170 /nfs/dbraw/zinc/28/81/70/598288170.db2.gz GCPQGMGHZMIRCQ-AWEZNQCLSA-N -1 1 386.412 1.828 20 0 GDADMM COc1ccnc(COC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)c1 ZINC000737154934 598308064 /nfs/dbraw/zinc/30/80/64/598308064.db2.gz AGHBDUIRDZMXJA-UHFFFAOYSA-N -1 1 384.396 1.664 20 0 GDADMM COc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(-c3nn[nH]n3)cc2F)c(F)c1 ZINC000737053811 598311573 /nfs/dbraw/zinc/31/15/73/598311573.db2.gz MACBWPPUULUZFC-UHFFFAOYSA-N -1 1 399.354 1.771 20 0 GDADMM CN(C)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)cn1 ZINC000736778773 598332652 /nfs/dbraw/zinc/33/26/52/598332652.db2.gz FNNYOTUTINRLAW-UHFFFAOYSA-N -1 1 379.833 1.782 20 0 GDADMM Clc1ccccc1[C@@H](CNc1nccnc1-c1nnn[n-]1)N1CCOCC1 ZINC000737582532 598342636 /nfs/dbraw/zinc/34/26/36/598342636.db2.gz BZVQKUCWVQITFP-CQSZACIVSA-N -1 1 386.847 1.796 20 0 GDADMM Clc1ccccc1[C@@H](CNc1nccnc1-c1nn[n-]n1)N1CCOCC1 ZINC000737582532 598342638 /nfs/dbraw/zinc/34/26/38/598342638.db2.gz BZVQKUCWVQITFP-CQSZACIVSA-N -1 1 386.847 1.796 20 0 GDADMM O=C(c1cccc(Cl)c1)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000738274992 598347458 /nfs/dbraw/zinc/34/74/58/598347458.db2.gz ZBJQDHDNBVIBFN-UHFFFAOYSA-N -1 1 384.831 1.663 20 0 GDADMM O=C(c1cccc(Cl)c1)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000738274992 598347459 /nfs/dbraw/zinc/34/74/59/598347459.db2.gz ZBJQDHDNBVIBFN-UHFFFAOYSA-N -1 1 384.831 1.663 20 0 GDADMM O=C(Cc1ccccc1Cl)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000737975340 598349400 /nfs/dbraw/zinc/34/94/00/598349400.db2.gz YORMPTCCCOKYFI-UHFFFAOYSA-N -1 1 384.831 1.201 20 0 GDADMM O=C(Cc1ccccc1Cl)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000737975340 598349401 /nfs/dbraw/zinc/34/94/01/598349401.db2.gz YORMPTCCCOKYFI-UHFFFAOYSA-N -1 1 384.831 1.201 20 0 GDADMM CCc1nn(CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736704937 598379192 /nfs/dbraw/zinc/37/91/92/598379192.db2.gz AOMPLPRGHINDCE-TYNCELHUSA-N -1 1 387.488 1.489 20 0 GDADMM CCn1cc(-c2nn[n-]n2)c(=O)n(CCOc2ccc(C(F)(F)F)cc2)c1=O ZINC000736714997 598419805 /nfs/dbraw/zinc/41/98/05/598419805.db2.gz ZGDOOXODFWSUAT-UHFFFAOYSA-N -1 1 396.329 1.308 20 0 GDADMM CCc1nc(CNC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)cs1 ZINC000736704969 598465887 /nfs/dbraw/zinc/46/58/87/598465887.db2.gz WHDQIHPCFPXLMN-UHFFFAOYSA-N -1 1 387.469 1.852 20 0 GDADMM C[C@@H]1C[C@@H]1NC(=O)C1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000736241309 598500914 /nfs/dbraw/zinc/50/09/14/598500914.db2.gz WWHSHKXNJPTVER-PWSUYJOCSA-N -1 1 383.412 1.856 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H](c2ccccc2)C2CCCC2)n(C)c1=O ZINC000737594857 598521696 /nfs/dbraw/zinc/52/16/96/598521696.db2.gz CHGQQQCXGMRXOT-OAHLLOKOSA-N -1 1 381.440 1.608 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC[C@H](O)C2CCCCC2)cc1-c1nn[n-]n1 ZINC000737187812 598529998 /nfs/dbraw/zinc/52/99/98/598529998.db2.gz VUANZHVAZWGOPR-LBPRGKRZSA-N -1 1 378.458 1.360 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CCN(C)c3ccccc3C2)cc1-c1nn[n-]n1 ZINC000737185770 598530171 /nfs/dbraw/zinc/53/01/71/598530171.db2.gz CGBCNCYXLABELB-UHFFFAOYSA-N -1 1 397.464 1.781 20 0 GDADMM CN(c1snc(Cl)c1-c1nnn[n-]1)[C@H]1CCCN(c2cccnn2)C1 ZINC000736842915 598544422 /nfs/dbraw/zinc/54/44/22/598544422.db2.gz HAKFSXAOTABHFZ-VIFPVBQESA-N -1 1 377.865 1.872 20 0 GDADMM CN(c1snc(Cl)c1-c1nn[n-]n1)[C@H]1CCCN(c2cccnn2)C1 ZINC000736842915 598544423 /nfs/dbraw/zinc/54/44/23/598544423.db2.gz HAKFSXAOTABHFZ-VIFPVBQESA-N -1 1 377.865 1.872 20 0 GDADMM Cc1nc(C)n(C[C@@H]2CN(c3snc(Cl)c3-c3nnn[n-]3)CCO2)n1 ZINC000737474459 598544900 /nfs/dbraw/zinc/54/49/00/598544900.db2.gz PHGKNRDRQNFENE-VIFPVBQESA-N -1 1 381.853 1.090 20 0 GDADMM Cc1nc(C)n(C[C@@H]2CN(c3snc(Cl)c3-c3nn[n-]n3)CCO2)n1 ZINC000737474459 598544901 /nfs/dbraw/zinc/54/49/01/598544901.db2.gz PHGKNRDRQNFENE-VIFPVBQESA-N -1 1 381.853 1.090 20 0 GDADMM O=C1OC(c2cccc(Cl)c2)=NC1=Cc1cnc2c(-c3nnn[n-]3)cnn2c1 ZINC000738318606 598567233 /nfs/dbraw/zinc/56/72/33/598567233.db2.gz LBARPXMCYCDMEH-YIXHJXPBSA-N -1 1 392.766 1.907 20 0 GDADMM O=C1OC(c2cccc(Cl)c2)=NC1=Cc1cnc2c(-c3nn[n-]n3)cnn2c1 ZINC000738318606 598567235 /nfs/dbraw/zinc/56/72/35/598567235.db2.gz LBARPXMCYCDMEH-YIXHJXPBSA-N -1 1 392.766 1.907 20 0 GDADMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[nH]n3)c2)c1 ZINC000736602518 598593054 /nfs/dbraw/zinc/59/30/54/598593054.db2.gz MYJDPOXCYQKFLX-UHFFFAOYSA-N -1 1 391.384 1.983 20 0 GDADMM CCc1nn(CCOCCOc2ccccc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736707250 598642299 /nfs/dbraw/zinc/64/22/99/598642299.db2.gz RALOBEROLPVBEN-UHFFFAOYSA-N -1 1 384.440 1.644 20 0 GDADMM O=C(Cn1cccc(-c2nn[n-]n2)c1=O)Nc1ccc(N2CCCCC2)cc1 ZINC000737987334 598676664 /nfs/dbraw/zinc/67/66/64/598676664.db2.gz VUSCURDRWJEHOV-UHFFFAOYSA-N -1 1 379.424 1.657 20 0 GDADMM CN(c1ccc(CNc2snc(Cl)c2-c2nnn[n-]2)cc1)S(C)(=O)=O ZINC000736843043 598681004 /nfs/dbraw/zinc/68/10/04/598681004.db2.gz YEFYMKWTFAWPJN-UHFFFAOYSA-N -1 1 399.889 1.985 20 0 GDADMM CN(c1ccc(CNc2snc(Cl)c2-c2nn[n-]n2)cc1)S(C)(=O)=O ZINC000736843043 598681005 /nfs/dbraw/zinc/68/10/05/598681005.db2.gz YEFYMKWTFAWPJN-UHFFFAOYSA-N -1 1 399.889 1.985 20 0 GDADMM CN(c1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1)S(C)(=O)=O ZINC000736841247 598681021 /nfs/dbraw/zinc/68/10/21/598681021.db2.gz BMBZHZHRUUQJEZ-UHFFFAOYSA-N -1 1 393.860 1.923 20 0 GDADMM CN(c1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1)S(C)(=O)=O ZINC000736841247 598681022 /nfs/dbraw/zinc/68/10/22/598681022.db2.gz BMBZHZHRUUQJEZ-UHFFFAOYSA-N -1 1 393.860 1.923 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CCC[C@H](n3ccnc3)C2)cc1-c1nn[n-]n1 ZINC000737186973 598700600 /nfs/dbraw/zinc/70/06/00/598700600.db2.gz MRKUKMGWCQIDSV-JTQLQIEISA-N -1 1 386.441 1.363 20 0 GDADMM OC[C@@H](c1ccc(Cl)cc1)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000738393420 598756766 /nfs/dbraw/zinc/75/67/66/598756766.db2.gz LGWWMQJZPZCFJP-AWEZNQCLSA-N -1 1 386.847 1.166 20 0 GDADMM OC[C@@H](c1ccc(Cl)cc1)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000738393420 598756768 /nfs/dbraw/zinc/75/67/68/598756768.db2.gz LGWWMQJZPZCFJP-AWEZNQCLSA-N -1 1 386.847 1.166 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCC[S@@](=O)C(C)(C)C ZINC000737549719 598768282 /nfs/dbraw/zinc/76/82/82/598768282.db2.gz YAIMAQQXYBMMOJ-HHHXNRCGSA-N -1 1 390.469 1.836 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCC[S@@](=O)C(C)(C)C ZINC000737549719 598768284 /nfs/dbraw/zinc/76/82/84/598768284.db2.gz YAIMAQQXYBMMOJ-HHHXNRCGSA-N -1 1 390.469 1.836 20 0 GDADMM CCc1nn(CCC(=O)Nc2ccccc2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000821518540 599306528 /nfs/dbraw/zinc/30/65/28/599306528.db2.gz ZEGLTTNZXHPRKA-UHFFFAOYSA-N -1 1 381.440 1.885 20 0 GDADMM O=C1OC(c2cc3ccccc3[nH]2)=NC1=Cc1cnc2c(-c3nnn[n-]3)cnn2c1 ZINC000823546709 599310459 /nfs/dbraw/zinc/31/04/59/599310459.db2.gz DTFQDYDTHVLBGJ-WCSRMQSCSA-N -1 1 397.358 1.735 20 0 GDADMM O=C1OC(c2cc3ccccc3[nH]2)=NC1=Cc1cnc2c(-c3nn[n-]n3)cnn2c1 ZINC000823546709 599310461 /nfs/dbraw/zinc/31/04/61/599310461.db2.gz DTFQDYDTHVLBGJ-WCSRMQSCSA-N -1 1 397.358 1.735 20 0 GDADMM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(-n2cccn2)cc1 ZINC000820446401 599326182 /nfs/dbraw/zinc/32/61/82/599326182.db2.gz WCFOFMPLHZVPQM-LBPRGKRZSA-N -1 1 396.436 1.487 20 0 GDADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(-n2cccn2)cc1 ZINC000820446401 599326185 /nfs/dbraw/zinc/32/61/85/599326185.db2.gz WCFOFMPLHZVPQM-LBPRGKRZSA-N -1 1 396.436 1.487 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000823601183 599338388 /nfs/dbraw/zinc/33/83/88/599338388.db2.gz VFKQHJWFQJWTJT-QWHCGFSZSA-N -1 1 383.861 1.852 20 0 GDADMM Cc1noc(C)c1CN(C)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000822522050 599338838 /nfs/dbraw/zinc/33/88/38/599338838.db2.gz CDMYKNTZBMTWEL-UHFFFAOYSA-N -1 1 382.833 1.946 20 0 GDADMM CCCO[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000821128236 599342286 /nfs/dbraw/zinc/34/22/86/599342286.db2.gz SABDSGGLFOZRLV-GFCCVEGCSA-N -1 1 383.449 1.976 20 0 GDADMM CCCO[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000821128236 599342288 /nfs/dbraw/zinc/34/22/88/599342288.db2.gz SABDSGGLFOZRLV-GFCCVEGCSA-N -1 1 383.449 1.976 20 0 GDADMM Cn1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)cn1 ZINC000822673936 599343000 /nfs/dbraw/zinc/34/30/00/599343000.db2.gz GZMQLTUZZOXKLM-ZDUSSCGKSA-N -1 1 393.860 1.779 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCC([C@@H](C)O)CC1 ZINC000737488480 599347003 /nfs/dbraw/zinc/34/70/03/599347003.db2.gz WAFHVYVPBSEEPB-CYBMUJFWSA-N -1 1 398.471 1.078 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCC([C@@H](C)O)CC1 ZINC000737488480 599347006 /nfs/dbraw/zinc/34/70/06/599347006.db2.gz WAFHVYVPBSEEPB-CYBMUJFWSA-N -1 1 398.471 1.078 20 0 GDADMM O=S(=O)([N-]CCOc1ccc(-c2nn[nH]n2)cc1)c1cccc(F)c1F ZINC000823578026 599357424 /nfs/dbraw/zinc/35/74/24/599357424.db2.gz FUDOHHOKKOLXGS-UHFFFAOYSA-N -1 1 381.364 1.502 20 0 GDADMM COc1ccc([C@H](CNc2cccc(-c3nn[n-]n3)n2)N2CCOCC2)cc1 ZINC000737074433 599395755 /nfs/dbraw/zinc/39/57/55/599395755.db2.gz IEGBOBXNNKGDML-KRWDZBQOSA-N -1 1 381.440 1.756 20 0 GDADMM O=S(=O)(NCCNc1cccc(-c2nnn[n-]2)n1)c1cccc(Cl)c1 ZINC000738338682 599405159 /nfs/dbraw/zinc/40/51/59/599405159.db2.gz KVRFNBHYWWBFQN-UHFFFAOYSA-N -1 1 379.833 1.306 20 0 GDADMM O=S(=O)(NCCNc1cccc(-c2nn[n-]n2)n1)c1cccc(Cl)c1 ZINC000738338682 599405161 /nfs/dbraw/zinc/40/51/61/599405161.db2.gz KVRFNBHYWWBFQN-UHFFFAOYSA-N -1 1 379.833 1.306 20 0 GDADMM Cc1nccc(N2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)n1 ZINC000822471859 599471874 /nfs/dbraw/zinc/47/18/74/599471874.db2.gz LJWOLCVTTIHJLW-UHFFFAOYSA-N -1 1 379.384 1.540 20 0 GDADMM C[C@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C[C@@H](C(F)(F)F)O1 ZINC000820769284 599682945 /nfs/dbraw/zinc/68/29/45/599682945.db2.gz RXJITDCKFINGHO-XVKPBYJWSA-N -1 1 395.338 1.346 20 0 GDADMM C[C@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C[C@@H](C(F)(F)F)O1 ZINC000820769284 599682946 /nfs/dbraw/zinc/68/29/46/599682946.db2.gz RXJITDCKFINGHO-XVKPBYJWSA-N -1 1 395.338 1.346 20 0 GDADMM O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000822911885 599696855 /nfs/dbraw/zinc/69/68/55/599696855.db2.gz CKVODUFJUJTIJE-WDNDVIMCSA-N -1 1 383.456 1.817 20 0 GDADMM O=C([O-])[C@@H]1CCN(C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000263290014 599702137 /nfs/dbraw/zinc/70/21/37/599702137.db2.gz VDHAGSGUCUVFOT-OAHLLOKOSA-N -1 1 394.903 1.968 20 0 GDADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000738229153 599708682 /nfs/dbraw/zinc/70/86/82/599708682.db2.gz IPQCATXYKVTVHI-UHFFFAOYSA-N -1 1 393.403 1.547 20 0 GDADMM CN(C1CCN(CCc2ccccn2)CC1)S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000737387265 599776996 /nfs/dbraw/zinc/77/69/96/599776996.db2.gz RKOKQENWVCTDIR-UHFFFAOYSA-N -1 1 393.465 1.700 20 0 GDADMM CN(C[C@@H]1CCN(CC(=O)N2CCC(C(=O)[O-])CC2)C1)C(=O)OC(C)(C)C ZINC000737414277 599793276 /nfs/dbraw/zinc/79/32/76/599793276.db2.gz ZLFSBJGGJGXMTL-AWEZNQCLSA-N -1 1 383.489 1.498 20 0 GDADMM Cc1ccc(S(=O)(=O)Nc2ccc(CC(=O)NCC(=O)[O-])cc2)c(F)c1 ZINC000738655480 599851548 /nfs/dbraw/zinc/85/15/48/599851548.db2.gz XVCJVNWWEZUYIB-UHFFFAOYSA-N -1 1 380.397 1.678 20 0 GDADMM O=C([O-])CN(Cc1ccc(F)c(F)c1)CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000739783889 599865299 /nfs/dbraw/zinc/86/52/99/599865299.db2.gz VLXKSGGHIWVVCY-UHFFFAOYSA-N -1 1 395.387 1.874 20 0 GDADMM COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)N2CC[C@H](N(C)C)C2)c1OC ZINC000737874518 599878017 /nfs/dbraw/zinc/87/80/17/599878017.db2.gz VPODWFYTAYGTAQ-SZZPACECSA-N -1 1 384.454 1.126 20 0 GDADMM Cc1[nH]c(SCC(=O)N2CCO[C@H](C(=O)[O-])C2)nc1Cc1ccccc1 ZINC000738168470 599947847 /nfs/dbraw/zinc/94/78/47/599947847.db2.gz WNPNMHHNMZYCFK-HNNXBMFYSA-N -1 1 375.450 1.713 20 0 GDADMM Cc1ccc(N2CCC[C@H](N(C)CC(=O)N[C@H](CC(C)C)C(=O)[O-])C2)nn1 ZINC000738614331 599957115 /nfs/dbraw/zinc/95/71/15/599957115.db2.gz KFUSVPXQLLFRIU-JKSUJKDBSA-N -1 1 377.489 1.301 20 0 GDADMM COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000737717044 600034992 /nfs/dbraw/zinc/03/49/92/600034992.db2.gz GPZARJYVSZOING-SNVBAGLBSA-N -1 1 388.467 1.092 20 0 GDADMM CN1CCN(c2ccc(NS(=O)(=O)c3cccc(C(=O)[O-])c3)cc2)CC1 ZINC000062146934 600102982 /nfs/dbraw/zinc/10/29/82/600102982.db2.gz RHJMBWCNWZWMNU-UHFFFAOYSA-N -1 1 375.450 1.937 20 0 GDADMM CN1CCN(c2ccc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3)cc2)CC1 ZINC000737529571 600103130 /nfs/dbraw/zinc/10/31/30/600103130.db2.gz LEVHEYRBOJETSP-UHFFFAOYSA-N -1 1 375.450 1.937 20 0 GDADMM O=C([O-])CCOc1ccc(S(=O)(=O)Nc2cnccc2-n2cccn2)cc1 ZINC000739742927 600127365 /nfs/dbraw/zinc/12/73/65/600127365.db2.gz NXHZWTBFIUHUJA-UHFFFAOYSA-N -1 1 388.405 1.922 20 0 GDADMM CCC[C@@](C)(NCC(=O)NN1C(=O)N[C@@](CC)(c2ccccc2)C1=O)C(=O)[O-] ZINC000736964739 600151984 /nfs/dbraw/zinc/15/19/84/600151984.db2.gz OKEQTKBAHRUQDO-MOPGFXCFSA-N -1 1 390.440 1.108 20 0 GDADMM C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(CCC(=O)NCC(=O)[O-])CC1 ZINC000736726617 600159161 /nfs/dbraw/zinc/15/91/61/600159161.db2.gz VHOWKBQKHDSKLV-AWEZNQCLSA-N -1 1 387.440 1.006 20 0 GDADMM Cc1ccc([C@H](CNC(=O)CCNC(=O)c2n[nH]c3ccccc32)C(=O)[O-])cc1 ZINC000738554833 600174072 /nfs/dbraw/zinc/17/40/72/600174072.db2.gz VWIAKIJRATWFTK-INIZCTEOSA-N -1 1 394.431 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/nfs/dbraw/zinc/07/98/22/603079822.db2.gz RAERWLLKLHWODP-LSDHHAIUSA-N -1 1 387.440 1.536 20 0 GDADMM CCCc1n[nH]c([C@H]2CN(C(=O)[C@H](Cc3ccccc3)NC(=O)[O-])CCO2)n1 ZINC000826954390 603079826 /nfs/dbraw/zinc/07/98/26/603079826.db2.gz RAERWLLKLHWODP-LSDHHAIUSA-N -1 1 387.440 1.536 20 0 GDADMM CC(C)[C@@](C)(CNC(=O)[O-])NC(=O)CCNC(=O)c1n[nH]c2ccccc21 ZINC000738766416 603122347 /nfs/dbraw/zinc/12/23/47/603122347.db2.gz AKWWSNHBLQKKLW-GOSISDBHSA-N -1 1 375.429 1.481 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000826466978 607611354 /nfs/dbraw/zinc/61/13/54/607611354.db2.gz BPBSNOMGPXJAOE-QGZVFWFLSA-N -1 1 398.398 1.518 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000826466978 607611355 /nfs/dbraw/zinc/61/13/55/607611355.db2.gz BPBSNOMGPXJAOE-QGZVFWFLSA-N -1 1 398.398 1.518 20 0 GDADMM CNC(=O)c1cc(S(=O)(=O)Nc2cccc3c2CCN(C(=O)[O-])C3)cn1C ZINC000739743930 603182225 /nfs/dbraw/zinc/18/22/25/603182225.db2.gz FTGBAIPLOQWKCW-UHFFFAOYSA-N -1 1 392.437 1.222 20 0 GDADMM CN1CCN(c2cc(CNC(=O)[C@@H]3CCC[C@@H](NC(=O)[O-])C3)ccn2)CC1 ZINC000739735654 603241760 /nfs/dbraw/zinc/24/17/60/603241760.db2.gz BUMBXOYYDZUQDX-HZPDHXFCSA-N -1 1 375.473 1.276 20 0 GDADMM Cc1ncc2c(n1)CCC[C@H]2NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826330497 607617256 /nfs/dbraw/zinc/61/72/56/607617256.db2.gz WYQBQXBUBMRXHH-CYBMUJFWSA-N -1 1 389.416 1.460 20 0 GDADMM Cc1ncc2c(n1)CCC[C@H]2NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826330497 607617258 /nfs/dbraw/zinc/61/72/58/607617258.db2.gz WYQBQXBUBMRXHH-CYBMUJFWSA-N -1 1 389.416 1.460 20 0 GDADMM C[C@@H]1CN(Cc2ccc(CNC(=O)[C@@H]3CCN(C(=O)[O-])C3)cc2)C[C@H](C)O1 ZINC000739188439 603275746 /nfs/dbraw/zinc/27/57/46/603275746.db2.gz YCGYRWAAIJCHQQ-RVKKMQEKSA-N -1 1 375.469 1.912 20 0 GDADMM O=S(=O)(N[C@H]1CCCC[C@H]1O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826488273 607624403 /nfs/dbraw/zinc/62/44/03/607624403.db2.gz MAQJBODMTOYTJU-WDEREUQCSA-N -1 1 391.375 1.467 20 0 GDADMM C[C@H]1CN(CC(=O)Nc2cccc(CN3CCSCC3)c2)CCN1C(=O)[O-] ZINC000739181915 603366377 /nfs/dbraw/zinc/36/63/77/603366377.db2.gz UQHXFNKURVHYSL-HNNXBMFYSA-N -1 1 392.525 1.858 20 0 GDADMM CN1CCN(c2ccccc2NC(=O)N[C@H]2CCC[C@H]2CNC(=O)[O-])CC1 ZINC000739736361 603370003 /nfs/dbraw/zinc/37/00/03/603370003.db2.gz KXDJDTHBSUIWLC-GJZGRUSLSA-N -1 1 375.473 1.996 20 0 GDADMM COc1ccc(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cc1O ZINC000826203447 607625016 /nfs/dbraw/zinc/62/50/16/607625016.db2.gz OIOBFAYXZYIJML-UHFFFAOYSA-N -1 1 395.828 1.713 20 0 GDADMM COc1ccc(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cc1O ZINC000826203447 607625017 /nfs/dbraw/zinc/62/50/17/607625017.db2.gz OIOBFAYXZYIJML-UHFFFAOYSA-N -1 1 395.828 1.713 20 0 GDADMM Cc1ccccc1CN1CCN(C(=O)CN2CC[C@@H](NC(=O)[O-])[C@H](C)C2)CC1 ZINC000740182153 603412887 /nfs/dbraw/zinc/41/28/87/603412887.db2.gz ASFCDRXYDAGZDN-IEBWSBKVSA-N -1 1 388.512 1.617 20 0 GDADMM O=C([O-])NC[C@@H](C(=O)N1CCCN(C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000832404280 603427256 /nfs/dbraw/zinc/42/72/56/603427256.db2.gz ZSPKRNPOXIVUKO-QZTJIDSGSA-N -1 1 375.469 1.751 20 0 GDADMM O=S(=O)(NCc1ccccc1CO)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826492128 607628736 /nfs/dbraw/zinc/62/87/36/607628736.db2.gz UWJCISPSMADOKI-UHFFFAOYSA-N -1 1 379.829 1.491 20 0 GDADMM O=S(=O)(NCc1ccccc1CO)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826492128 607628737 /nfs/dbraw/zinc/62/87/37/607628737.db2.gz UWJCISPSMADOKI-UHFFFAOYSA-N -1 1 379.829 1.491 20 0 GDADMM C[C@@](CO)(NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000824433222 607629011 /nfs/dbraw/zinc/62/90/11/607629011.db2.gz DNYUBCQSHCDSSV-INIZCTEOSA-N -1 1 377.401 1.192 20 0 GDADMM C[C@@](CO)(NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000824433222 607629014 /nfs/dbraw/zinc/62/90/14/607629014.db2.gz DNYUBCQSHCDSSV-INIZCTEOSA-N -1 1 377.401 1.192 20 0 GDADMM C[C@@](CO)(NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)c1ccccc1 ZINC000824433510 607629093 /nfs/dbraw/zinc/62/90/93/607629093.db2.gz GEOIDKBLSLXKQP-INIZCTEOSA-N -1 1 393.856 1.706 20 0 GDADMM C[C@@](CO)(NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)c1ccccc1 ZINC000824433510 607629094 /nfs/dbraw/zinc/62/90/94/607629094.db2.gz GEOIDKBLSLXKQP-INIZCTEOSA-N -1 1 393.856 1.706 20 0 GDADMM O=C([O-])N1CCN(C(=O)[C@H]2CCCN(CN3CC4(CCCC4)CC3=O)C2)CC1 ZINC000832018928 603520638 /nfs/dbraw/zinc/52/06/38/603520638.db2.gz TVYXAEOZYOBZPM-INIZCTEOSA-N -1 1 392.500 1.271 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCC[C@H]([C@H](C)O)C1 ZINC000826328184 607630042 /nfs/dbraw/zinc/63/00/42/607630042.db2.gz IHWSAPVNIJNSRD-KBPBESRZSA-N -1 1 398.471 1.078 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCC[C@H]([C@H](C)O)C1 ZINC000826328184 607630044 /nfs/dbraw/zinc/63/00/44/607630044.db2.gz IHWSAPVNIJNSRD-KBPBESRZSA-N -1 1 398.471 1.078 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])cn1C ZINC000828761197 603527759 /nfs/dbraw/zinc/52/77/59/603527759.db2.gz PSOMJSSMLCQNDW-UHFFFAOYSA-N -1 1 379.394 1.653 20 0 GDADMM C[C@](O)(CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000824670109 607635126 /nfs/dbraw/zinc/63/51/26/607635126.db2.gz KHAGHPCTMLSOIB-INIZCTEOSA-N -1 1 377.401 1.192 20 0 GDADMM C[C@](O)(CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000824670109 607635129 /nfs/dbraw/zinc/63/51/29/607635129.db2.gz KHAGHPCTMLSOIB-INIZCTEOSA-N -1 1 377.401 1.192 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000826496250 607635155 /nfs/dbraw/zinc/63/51/55/607635155.db2.gz PUCHCYGFQXIWPH-KCJUWKMLSA-N -1 1 395.338 1.082 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000826496250 607635157 /nfs/dbraw/zinc/63/51/57/607635157.db2.gz PUCHCYGFQXIWPH-KCJUWKMLSA-N -1 1 395.338 1.082 20 0 GDADMM CCN(CC1CCN([C@H](C)C(=O)N2CCC(C(=O)OC)CC2)CC1)C(=O)[O-] ZINC000827089068 603538830 /nfs/dbraw/zinc/53/88/30/603538830.db2.gz FDVSMZVNHHTGOW-CQSZACIVSA-N -1 1 383.489 1.498 20 0 GDADMM CC(C)CC[C@](C)(O)CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824243658 607642093 /nfs/dbraw/zinc/64/20/93/607642093.db2.gz LHZIENDTBUHDDY-HNNXBMFYSA-N -1 1 387.893 1.986 20 0 GDADMM CC(C)CC[C@](C)(O)CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824243658 607642094 /nfs/dbraw/zinc/64/20/94/607642094.db2.gz LHZIENDTBUHDDY-HNNXBMFYSA-N -1 1 387.893 1.986 20 0 GDADMM CC(C)CC[C@@](C)(O)CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824243659 607642177 /nfs/dbraw/zinc/64/21/77/607642177.db2.gz LHZIENDTBUHDDY-OAHLLOKOSA-N -1 1 387.893 1.986 20 0 GDADMM CC(C)CC[C@@](C)(O)CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824243659 607642178 /nfs/dbraw/zinc/64/21/78/607642178.db2.gz LHZIENDTBUHDDY-OAHLLOKOSA-N -1 1 387.893 1.986 20 0 GDADMM O=C([O-])NC[C@@H](NC(=O)N1CCN(C[C@H]2CCOC2)CC1)C1CCCCC1 ZINC000832420879 603656129 /nfs/dbraw/zinc/65/61/29/603656129.db2.gz HXULDETXPOKSBF-NVXWUHKLSA-N -1 1 382.505 1.567 20 0 GDADMM O=S(=O)(NC[C@@H](O)c1ccccc1Cl)c1cccc(F)c1-c1nnn[n-]1 ZINC000826489158 607643359 /nfs/dbraw/zinc/64/33/59/607643359.db2.gz IWSVUZMIWZCVOO-GFCCVEGCSA-N -1 1 397.819 1.671 20 0 GDADMM O=S(=O)(NC[C@@H](O)c1ccccc1Cl)c1cccc(F)c1-c1nn[n-]n1 ZINC000826489158 607643360 /nfs/dbraw/zinc/64/33/60/607643360.db2.gz IWSVUZMIWZCVOO-GFCCVEGCSA-N -1 1 397.819 1.671 20 0 GDADMM COc1ccc(NC(=O)C(=O)N2CCC(c3cnc[nH]3)CC2)cc1NC(=O)[O-] ZINC000829435519 603674106 /nfs/dbraw/zinc/67/41/06/603674106.db2.gz VDFCSIHTHVCKDC-UHFFFAOYSA-N -1 1 387.396 1.853 20 0 GDADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N1CCC[C@@H](C)[C@H]1CNC(=O)[O-] ZINC000825458999 603690201 /nfs/dbraw/zinc/69/02/01/603690201.db2.gz LTVYBQNLRRDLPJ-TYNCELHUSA-N -1 1 387.440 1.576 20 0 GDADMM CCN1CCN(c2ccc(CNC(=O)N3CCN(C(=O)[O-])[C@H](C)C3)cn2)CC1 ZINC000827228135 603699153 /nfs/dbraw/zinc/69/91/53/603699153.db2.gz LXDJRMAIVWCHSK-OAHLLOKOSA-N -1 1 390.488 1.117 20 0 GDADMM O=C([O-])NC[C@@H]1CCCCN1C(=O)CCN1CCN(c2ccccn2)CC1 ZINC000832521338 603705091 /nfs/dbraw/zinc/70/50/91/603705091.db2.gz NQEWHXQRQATVME-INIZCTEOSA-N -1 1 375.473 1.242 20 0 GDADMM CC[C@@H]1CN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[O-])[C@@H](CC)CN1C(C)=O ZINC000826691467 603716153 /nfs/dbraw/zinc/71/61/53/603716153.db2.gz RQHLFWHQSWTIJG-YRPNKDGESA-N -1 1 391.512 1.948 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCSc2ncccc21 ZINC000826495752 607648007 /nfs/dbraw/zinc/64/80/07/607648007.db2.gz AIHSOKPFZXNMTG-UHFFFAOYSA-N -1 1 378.414 1.702 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCSc2ncccc21 ZINC000826495752 607648008 /nfs/dbraw/zinc/64/80/08/607648008.db2.gz AIHSOKPFZXNMTG-UHFFFAOYSA-N -1 1 378.414 1.702 20 0 GDADMM C[C@@H](CCc1cccn1C)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824413371 607648495 /nfs/dbraw/zinc/64/84/95/607648495.db2.gz LDDDTUTUKPLRJY-NSHDSACASA-N -1 1 378.433 1.644 20 0 GDADMM C[C@@H](CCc1cccn1C)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824413371 607648497 /nfs/dbraw/zinc/64/84/97/607648497.db2.gz LDDDTUTUKPLRJY-NSHDSACASA-N -1 1 378.433 1.644 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000826495435 607653435 /nfs/dbraw/zinc/65/34/35/607653435.db2.gz PDRCCTBKEACHSB-LLVKDONJSA-N -1 1 397.766 1.208 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000826495435 607653437 /nfs/dbraw/zinc/65/34/37/607653437.db2.gz PDRCCTBKEACHSB-LLVKDONJSA-N -1 1 397.766 1.208 20 0 GDADMM CCCCOCCOCCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825291240 607656151 /nfs/dbraw/zinc/65/61/51/607656151.db2.gz PCJKYUVXQBAYGY-UHFFFAOYSA-N -1 1 387.437 1.117 20 0 GDADMM CCCCOCCOCCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825291240 607656152 /nfs/dbraw/zinc/65/61/52/607656152.db2.gz PCJKYUVXQBAYGY-UHFFFAOYSA-N -1 1 387.437 1.117 20 0 GDADMM COc1cc(NC(=O)C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)ccc1NC(=O)[O-] ZINC000829147590 603909708 /nfs/dbraw/zinc/90/97/08/603909708.db2.gz QCDRJCRDVSNGMW-HZMBPMFUSA-N -1 1 376.413 1.323 20 0 GDADMM COc1ccc(NC(=O)C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)cc1NC(=O)[O-] ZINC000829435141 603909792 /nfs/dbraw/zinc/90/97/92/603909792.db2.gz REDPKJSJKGVSOG-YGRLFVJLSA-N -1 1 376.413 1.323 20 0 GDADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N[C@H]1CCCC[C@@H]1CNC(=O)[O-] ZINC000825460226 603921103 /nfs/dbraw/zinc/92/11/03/603921103.db2.gz ZGQIWBAXOCCJMW-SCRDCRAPSA-N -1 1 387.440 1.624 20 0 GDADMM Cc1ccc(-c2cc(C(=O)Nc3nc(N4CCN(C(=O)[O-])CC4)n[nH]3)[nH]n2)o1 ZINC000830150341 603954177 /nfs/dbraw/zinc/95/41/77/603954177.db2.gz YEHVBPXPDWLWLO-UHFFFAOYSA-N -1 1 386.372 1.149 20 0 GDADMM O=C([O-])NC1(CNC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)CCCCC1 ZINC000832220195 604003327 /nfs/dbraw/zinc/00/33/27/604003327.db2.gz ZXSJDSYPRVVNST-UHFFFAOYSA-N -1 1 390.465 1.772 20 0 GDADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000825459573 604019063 /nfs/dbraw/zinc/01/90/63/604019063.db2.gz QHXSOHRYRQUUIS-UPJWGTAASA-N -1 1 385.424 1.425 20 0 GDADMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(C(=O)Nc2cc(C(N)=O)ccc2CN(C)C)C1 ZINC000825228233 604092305 /nfs/dbraw/zinc/09/23/05/604092305.db2.gz JFGPGUOCZKZFJU-OCCSQVGLSA-N -1 1 391.472 1.747 20 0 GDADMM Cc1ccc2c(c1)[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)CO2 ZINC000826294714 607674069 /nfs/dbraw/zinc/67/40/69/607674069.db2.gz ZPFXIIYHTGVIGD-LBPRGKRZSA-N -1 1 375.385 1.726 20 0 GDADMM Cc1ccc2c(c1)[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)CO2 ZINC000826294714 607674071 /nfs/dbraw/zinc/67/40/71/607674071.db2.gz ZPFXIIYHTGVIGD-LBPRGKRZSA-N -1 1 375.385 1.726 20 0 GDADMM CCC1(CC)[C@@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C[C@@H]1OC ZINC000825171712 607674519 /nfs/dbraw/zinc/67/45/19/607674519.db2.gz UNBPMXZXSPWONB-STQMWFEESA-N -1 1 383.449 1.878 20 0 GDADMM CCC1(CC)[C@@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C[C@@H]1OC ZINC000825171712 607674520 /nfs/dbraw/zinc/67/45/20/607674520.db2.gz UNBPMXZXSPWONB-STQMWFEESA-N -1 1 383.449 1.878 20 0 GDADMM CC(C)N1C(=O)N[C@@]2(CCN(c3cc(-c4nnn[n-]4)nc4ccccc43)C2)C1=O ZINC000824296503 607676196 /nfs/dbraw/zinc/67/61/96/607676196.db2.gz HTTGYCVQQFYPFM-LJQANCHMSA-N -1 1 392.423 1.324 20 0 GDADMM CC(C)N1C(=O)N[C@@]2(CCN(c3cc(-c4nn[n-]n4)nc4ccccc43)C2)C1=O ZINC000824296503 607676197 /nfs/dbraw/zinc/67/61/97/607676197.db2.gz HTTGYCVQQFYPFM-LJQANCHMSA-N -1 1 392.423 1.324 20 0 GDADMM COC(=O)Nc1ccc(CNC(=O)CN2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)cc1 ZINC000828722859 604212323 /nfs/dbraw/zinc/21/23/23/604212323.db2.gz DBGPOCRQLSVBHU-UKRRQHHQSA-N -1 1 392.456 1.849 20 0 GDADMM CC[C@H]1CN(C(=O)NC[C@@H](NC(=O)[O-])c2ccccc2)CCN1CCOC ZINC000826683513 604218754 /nfs/dbraw/zinc/21/87/54/604218754.db2.gz WCBPSMWJWXHBHU-DLBZAZTESA-N -1 1 378.473 1.748 20 0 GDADMM O=C([O-])C1CCC(NC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000821406342 604275786 /nfs/dbraw/zinc/27/57/86/604275786.db2.gz QJFKXOBLNJGCEP-CHPDAQJUSA-N -1 1 389.496 1.812 20 0 GDADMM O=S(=O)([N-]c1cc(-c2nn[nH]n2)ccc1Cl)c1cnn([C@H]2CCOC2)c1 ZINC000826492263 607683394 /nfs/dbraw/zinc/68/33/94/607683394.db2.gz ABQAKUCMIPCRMS-JTQLQIEISA-N -1 1 395.832 1.479 20 0 GDADMM CC(=O)N1CCCN([C@H]2CN(C(=O)c3[nH]c(C)c(C(=O)[O-])c3C)C[C@H]2C)CC1 ZINC000825834699 604325380 /nfs/dbraw/zinc/32/53/80/604325380.db2.gz UHHPIKWIHPDBGT-WBMJQRKESA-N -1 1 390.484 1.344 20 0 GDADMM CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N[C@@](C)(CNC(=O)[O-])C1CC1 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/nfs/dbraw/zinc/73/17/26/605731726.db2.gz OPGLQZOBNLQQRL-LBPRGKRZSA-N -1 1 382.323 1.997 20 0 GDADMM O=C([O-])N1CC[C@@]2(C1)C[C@@H](NCCNC(=O)c1ccn[nH]1)c1ccccc1O2 ZINC000834041182 605810343 /nfs/dbraw/zinc/81/03/43/605810343.db2.gz JXBOGPLBWNJMLM-BEFAXECRSA-N -1 1 385.424 1.375 20 0 GDADMM O=C([O-])N1CCc2ncc(NS(=O)(=O)c3ccc4c(c3)COC4)cc2C1 ZINC000834119088 605878045 /nfs/dbraw/zinc/87/80/45/605878045.db2.gz AHEBPXLZPSNBSH-UHFFFAOYSA-N -1 1 375.406 1.949 20 0 GDADMM CC(C)CN1CCO[C@@H](CNC(=O)Nc2cnc3c(c2)CN(C(=O)[O-])CC3)C1 ZINC000833795888 605924968 /nfs/dbraw/zinc/92/49/68/605924968.db2.gz HOHQFLXCHACPNT-INIZCTEOSA-N -1 1 391.472 1.596 20 0 GDADMM CC[C@H](NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)C1CCOCC1 ZINC000820921227 606053922 /nfs/dbraw/zinc/05/39/22/606053922.db2.gz XDBSDNGRBOHXGK-LBPRGKRZSA-N -1 1 378.458 1.624 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)c2cn(Cc3ccccc3)nn2)n1 ZINC000819971833 606063542 /nfs/dbraw/zinc/06/35/42/606063542.db2.gz TVKSVPMEAUWNRL-UHFFFAOYSA-N -1 1 392.427 1.710 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2cn(Cc3ccccc3)nn2)n1 ZINC000819971833 606063547 /nfs/dbraw/zinc/06/35/47/606063547.db2.gz TVKSVPMEAUWNRL-UHFFFAOYSA-N -1 1 392.427 1.710 20 0 GDADMM Cc1csc(C2(NS(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)CCC2)n1 ZINC000822408324 606145057 /nfs/dbraw/zinc/14/50/57/606145057.db2.gz AVAOHFHPILSLLO-UHFFFAOYSA-N -1 1 377.455 1.384 20 0 GDADMM Cc1csc(C2(NS(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)CCC2)n1 ZINC000822408324 606145059 /nfs/dbraw/zinc/14/50/59/606145059.db2.gz AVAOHFHPILSLLO-UHFFFAOYSA-N -1 1 377.455 1.384 20 0 GDADMM CN(Cc1nc2c(s1)CCCC2)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821616732 606146470 /nfs/dbraw/zinc/14/64/70/606146470.db2.gz FKDZGNPLDJFIEC-UHFFFAOYSA-N -1 1 391.482 1.418 20 0 GDADMM CN(Cc1nc2c(s1)CCCC2)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821616732 606146472 /nfs/dbraw/zinc/14/64/72/606146472.db2.gz FKDZGNPLDJFIEC-UHFFFAOYSA-N -1 1 391.482 1.418 20 0 GDADMM COc1ccc(OC)c([C@H]2CCCN2C(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC000821841627 606156980 /nfs/dbraw/zinc/15/69/80/606156980.db2.gz KJCSNCZNIVVLMD-CQSZACIVSA-N -1 1 398.427 1.986 20 0 GDADMM COc1ccc(OC)c([C@H]2CCCN2C(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC000821841627 606156982 /nfs/dbraw/zinc/15/69/82/606156982.db2.gz KJCSNCZNIVVLMD-CQSZACIVSA-N -1 1 398.427 1.986 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccccc2CN2CCCC2=O)n1 ZINC000822619621 606157636 /nfs/dbraw/zinc/15/76/36/606157636.db2.gz BKBHRUOLJFDLKZ-UHFFFAOYSA-N -1 1 395.427 1.044 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccccc2CN2CCCC2=O)n1 ZINC000822619621 606157638 /nfs/dbraw/zinc/15/76/38/606157638.db2.gz BKBHRUOLJFDLKZ-UHFFFAOYSA-N -1 1 395.427 1.044 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)n1 ZINC000822608666 606162647 /nfs/dbraw/zinc/16/26/47/606162647.db2.gz GMNWTEZKLATSAS-CYBMUJFWSA-N -1 1 388.819 1.859 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)n1 ZINC000822608666 606162649 /nfs/dbraw/zinc/16/26/49/606162649.db2.gz GMNWTEZKLATSAS-CYBMUJFWSA-N -1 1 388.819 1.859 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@H](O)c2c(F)cccc2Cl)n1 ZINC000822614832 606164390 /nfs/dbraw/zinc/16/43/90/606164390.db2.gz UPNXGBJITPXUDO-JTQLQIEISA-N -1 1 380.771 1.248 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@H](O)c2c(F)cccc2Cl)n1 ZINC000822614832 606164392 /nfs/dbraw/zinc/16/43/92/606164392.db2.gz UPNXGBJITPXUDO-JTQLQIEISA-N -1 1 380.771 1.248 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@@H]2CNC(=O)OC(C)(C)C)n1 ZINC000822609260 606164650 /nfs/dbraw/zinc/16/46/50/606164650.db2.gz LKOFWXFNHJNYFQ-SNVBAGLBSA-N -1 1 391.436 1.121 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@@H]2CNC(=O)OC(C)(C)C)n1 ZINC000822609260 606164651 /nfs/dbraw/zinc/16/46/51/606164651.db2.gz LKOFWXFNHJNYFQ-SNVBAGLBSA-N -1 1 391.436 1.121 20 0 GDADMM CC(C)Oc1cccc([C@H](O)CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC000820178488 606164925 /nfs/dbraw/zinc/16/49/25/606164925.db2.gz RJNJYXPNPCQXRE-CQSZACIVSA-N -1 1 386.416 1.243 20 0 GDADMM CC(C)Oc1cccc([C@H](O)CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC000820178488 606164927 /nfs/dbraw/zinc/16/49/27/606164927.db2.gz RJNJYXPNPCQXRE-CQSZACIVSA-N -1 1 386.416 1.243 20 0 GDADMM C[C@@H](CCNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)NC(=O)OC(C)(C)C ZINC000820243282 606167711 /nfs/dbraw/zinc/16/77/11/606167711.db2.gz ZOXNKYBGZQHELH-VIFPVBQESA-N -1 1 379.425 1.025 20 0 GDADMM C[C@@H](CCNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)NC(=O)OC(C)(C)C ZINC000820243282 606167712 /nfs/dbraw/zinc/16/77/12/606167712.db2.gz ZOXNKYBGZQHELH-VIFPVBQESA-N -1 1 379.425 1.025 20 0 GDADMM C[C@H](COc1ccc(F)cc1F)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820287888 606170535 /nfs/dbraw/zinc/17/05/35/606170535.db2.gz RVLPMQRMJWRKKM-MRVPVSSYSA-N -1 1 378.343 1.467 20 0 GDADMM C[C@H](COc1ccc(F)cc1F)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820287888 606170538 /nfs/dbraw/zinc/17/05/38/606170538.db2.gz RVLPMQRMJWRKKM-MRVPVSSYSA-N -1 1 378.343 1.467 20 0 GDADMM Cc1csc(N2CCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)C[C@H]2C)n1 ZINC000822414413 606170947 /nfs/dbraw/zinc/17/09/47/606170947.db2.gz DXDASKSFBYUOMA-SNVBAGLBSA-N -1 1 388.461 1.108 20 0 GDADMM Cc1csc(N2CCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)C[C@H]2C)n1 ZINC000822414413 606170949 /nfs/dbraw/zinc/17/09/49/606170949.db2.gz DXDASKSFBYUOMA-SNVBAGLBSA-N -1 1 388.461 1.108 20 0 GDADMM CCN(C(=O)Nc1nn(C)cc1-c1nnn[n-]1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000821154774 606171462 /nfs/dbraw/zinc/17/14/62/606171462.db2.gz RDWFSICKGLNQRP-CQSZACIVSA-N -1 1 395.427 1.260 20 0 GDADMM CCN(C(=O)Nc1nn(C)cc1-c1nn[n-]n1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000821154774 606171464 /nfs/dbraw/zinc/17/14/64/606171464.db2.gz RDWFSICKGLNQRP-CQSZACIVSA-N -1 1 395.427 1.260 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OCCOC1CCC1 ZINC000822458131 606182042 /nfs/dbraw/zinc/18/20/42/606182042.db2.gz CYOVWNRCOHMVAP-UHFFFAOYSA-N -1 1 385.428 1.571 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OCCOC1CCC1 ZINC000822458131 606182044 /nfs/dbraw/zinc/18/20/44/606182044.db2.gz CYOVWNRCOHMVAP-UHFFFAOYSA-N -1 1 385.428 1.571 20 0 GDADMM Cc1nc2n(n1)CCC[C@H]2NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000822463761 606275777 /nfs/dbraw/zinc/27/57/77/606275777.db2.gz WGVCJVHSFHGNKM-GFCCVEGCSA-N -1 1 393.411 1.724 20 0 GDADMM Cc1nc2n(n1)CCC[C@H]2NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000822463761 606275778 /nfs/dbraw/zinc/27/57/78/606275778.db2.gz WGVCJVHSFHGNKM-GFCCVEGCSA-N -1 1 393.411 1.724 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])C1 ZINC000819933332 606293870 /nfs/dbraw/zinc/29/38/70/606293870.db2.gz NXSWWHSASZDPBI-KRWDZBQOSA-N -1 1 392.391 1.860 20 0 GDADMM COc1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1N1CCNC1=O ZINC000821772696 606293877 /nfs/dbraw/zinc/29/38/77/606293877.db2.gz MCCSMMUAJROZEI-UHFFFAOYSA-N -1 1 395.379 1.363 20 0 GDADMM COc1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc(NC(C)=O)c1OC ZINC000821702835 606295399 /nfs/dbraw/zinc/29/53/99/606295399.db2.gz CELQTLQMDLTIDX-UHFFFAOYSA-N -1 1 398.379 1.800 20 0 GDADMM CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1 ZINC000821449041 606296061 /nfs/dbraw/zinc/29/60/61/606296061.db2.gz PUWNPQGIOYLNNW-UHFFFAOYSA-N -1 1 387.421 1.547 20 0 GDADMM Cc1cc(C)c(S(=O)(=O)Nc2cc(-c3nn[nH]n3)ccc2O)cc1C(=O)[O-] ZINC000822195024 606337298 /nfs/dbraw/zinc/33/72/98/606337298.db2.gz DPLZIDNTZONQJT-UHFFFAOYSA-N -1 1 389.393 1.688 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccc(Br)cn1 ZINC000821601459 606443648 /nfs/dbraw/zinc/44/36/48/606443648.db2.gz IICCBVOIQUIPPM-UHFFFAOYSA-N -1 1 378.238 1.399 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)NCc2ccc(C(N)=O)o2)c1-c1nn[n-]n1 ZINC000821990270 606445283 /nfs/dbraw/zinc/44/52/83/606445283.db2.gz QEKOXNDYUUZEHR-UHFFFAOYSA-N -1 1 399.436 1.483 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCCC[C@@H]2Cc2ccc(F)cc2)n(C)c1=O ZINC000822601435 606476229 /nfs/dbraw/zinc/47/62/29/606476229.db2.gz ZRNFAFWVLAFOSY-CQSZACIVSA-N -1 1 399.430 1.005 20 0 GDADMM COc1ccc(NC(=O)c2ccc(-c3nn[nH]n3)s2)cc1[N-]S(C)(=O)=O ZINC000821835997 606523748 /nfs/dbraw/zinc/52/37/48/606523748.db2.gz WVRLWIRXZZUPLJ-UHFFFAOYSA-N -1 1 394.438 1.561 20 0 GDADMM Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(-c4nnn[n-]4)s3)CC2)s1 ZINC000822226322 606529327 /nfs/dbraw/zinc/52/93/27/606529327.db2.gz MMEOYGUORXMIIE-UHFFFAOYSA-N -1 1 388.478 1.896 20 0 GDADMM Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(-c4nn[n-]n4)s3)CC2)s1 ZINC000822226322 606529330 /nfs/dbraw/zinc/52/93/30/606529330.db2.gz MMEOYGUORXMIIE-UHFFFAOYSA-N -1 1 388.478 1.896 20 0 GDADMM CCOC(=O)CCN(Cc1cccnc1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821330302 606536465 /nfs/dbraw/zinc/53/64/65/606536465.db2.gz GILWYDPZRVEOCX-UHFFFAOYSA-N -1 1 386.437 1.919 20 0 GDADMM CCOC(=O)CCN(Cc1cccnc1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821330302 606536467 /nfs/dbraw/zinc/53/64/67/606536467.db2.gz GILWYDPZRVEOCX-UHFFFAOYSA-N -1 1 386.437 1.919 20 0 GDADMM CCn1cc(CN2CCCN(C(=O)c3ccc(-c4nn[n-]n4)s3)CC2)cn1 ZINC000821565440 606553840 /nfs/dbraw/zinc/55/38/40/606553840.db2.gz SUVGVHIDQBMXOR-UHFFFAOYSA-N -1 1 386.485 1.493 20 0 GDADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2cc(-c3nn[nH]n3)cs2)cc1 ZINC000821770035 606569085 /nfs/dbraw/zinc/56/90/85/606569085.db2.gz NRPPTTRXUWMKGN-UHFFFAOYSA-N -1 1 387.377 1.050 20 0 GDADMM O=C(NCCn1cccc1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000823229234 606588761 /nfs/dbraw/zinc/58/87/61/606588761.db2.gz HZFASKKOIBMUSR-UHFFFAOYSA-N -1 1 397.443 1.065 20 0 GDADMM O=C(Nc1cccnc1N1CCC(CO)CC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823373179 606596734 /nfs/dbraw/zinc/59/67/34/606596734.db2.gz SIZZHTFOLAHIHM-UHFFFAOYSA-N -1 1 385.453 1.784 20 0 GDADMM O=C(Nc1cccnc1N1CCC(CO)CC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823373179 606596736 /nfs/dbraw/zinc/59/67/36/606596736.db2.gz SIZZHTFOLAHIHM-UHFFFAOYSA-N -1 1 385.453 1.784 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC[C@H]2CCO[C@H]2C(C)C)cc1-c1nn[n-]n1 ZINC000821979817 606600219 /nfs/dbraw/zinc/60/02/19/606600219.db2.gz YOTAXKRZRCTQOH-SKDRFNHKSA-N -1 1 378.458 1.480 20 0 GDADMM CC[C@@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)Oc1cccc(F)c1 ZINC000820909450 606610767 /nfs/dbraw/zinc/61/07/67/606610767.db2.gz WOSATWPRXVVVTK-LBPRGKRZSA-N -1 1 392.416 1.537 20 0 GDADMM CC[C@@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)Oc1cccc(F)c1 ZINC000820909450 606610768 /nfs/dbraw/zinc/61/07/68/606610768.db2.gz WOSATWPRXVVVTK-LBPRGKRZSA-N -1 1 392.416 1.537 20 0 GDADMM O=C(C[C@@H](c1ccccc1)N1CCOC1=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822935803 606651247 /nfs/dbraw/zinc/65/12/47/606651247.db2.gz NTIXKVPIJFINCT-INIZCTEOSA-N -1 1 394.391 1.889 20 0 GDADMM O=C(C[C@@H](c1ccccc1)N1CCOC1=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822935803 606651248 /nfs/dbraw/zinc/65/12/48/606651248.db2.gz NTIXKVPIJFINCT-INIZCTEOSA-N -1 1 394.391 1.889 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000823436358 606651352 /nfs/dbraw/zinc/65/13/52/606651352.db2.gz RISNCAJPDCSQLF-AWEZNQCLSA-N -1 1 385.428 1.233 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000823436358 606651353 /nfs/dbraw/zinc/65/13/53/606651353.db2.gz RISNCAJPDCSQLF-AWEZNQCLSA-N -1 1 385.428 1.233 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000823435910 606651511 /nfs/dbraw/zinc/65/15/11/606651511.db2.gz DGIMNBUYACCATF-OAHLLOKOSA-N -1 1 378.392 1.354 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000823435910 606651512 /nfs/dbraw/zinc/65/15/12/606651512.db2.gz DGIMNBUYACCATF-OAHLLOKOSA-N -1 1 378.392 1.354 20 0 GDADMM O=C(N[C@H]1CCN(c2c(F)cccc2F)C1=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000823155878 606693787 /nfs/dbraw/zinc/69/37/87/606693787.db2.gz ZKPFNABAPLKRBT-ZDUSSCGKSA-N -1 1 385.334 1.075 20 0 GDADMM O=C(N[C@H]1CCN(c2c(F)cccc2F)C1=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000823155878 606693788 /nfs/dbraw/zinc/69/37/88/606693788.db2.gz ZKPFNABAPLKRBT-ZDUSSCGKSA-N -1 1 385.334 1.075 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCc1cccs1 ZINC000820788389 606763044 /nfs/dbraw/zinc/76/30/44/606763044.db2.gz GCTUHQFCJVVHEO-LLVKDONJSA-N -1 1 385.457 1.139 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCc1cccs1 ZINC000820788389 606763045 /nfs/dbraw/zinc/76/30/45/606763045.db2.gz GCTUHQFCJVVHEO-LLVKDONJSA-N -1 1 385.457 1.139 20 0 GDADMM Cn1cc([C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cn1 ZINC000822673991 606764045 /nfs/dbraw/zinc/76/40/45/606764045.db2.gz IUFSSIVKEYWNFB-CYBMUJFWSA-N -1 1 377.405 1.265 20 0 GDADMM Cc1ccc2c(c1)OCCN2S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000822280826 606765630 /nfs/dbraw/zinc/76/56/30/606765630.db2.gz XYKQYERDVITBSB-UHFFFAOYSA-N -1 1 375.385 1.902 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)Nc1cccc(F)c1 ZINC000820788303 606767302 /nfs/dbraw/zinc/76/73/02/606767302.db2.gz CQQFSRDNWHOOOI-LLVKDONJSA-N -1 1 383.391 1.538 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)Nc1cccc(F)c1 ZINC000820788303 606767303 /nfs/dbraw/zinc/76/73/03/606767303.db2.gz CQQFSRDNWHOOOI-LLVKDONJSA-N -1 1 383.391 1.538 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCCCC(C)(C)CO ZINC000822005660 606772089 /nfs/dbraw/zinc/77/20/89/606772089.db2.gz UBCVATLQWJLLOV-UHFFFAOYSA-N -1 1 376.461 1.432 20 0 GDADMM O=C(COC(=O)[C@H]1CCSC1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000823017917 606798860 /nfs/dbraw/zinc/79/88/60/606798860.db2.gz FOGWALXXPGJZIG-NSHDSACASA-N -1 1 399.436 1.287 20 0 GDADMM O=C(COC(=O)[C@H]1CCSC1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000823017917 606798861 /nfs/dbraw/zinc/79/88/61/606798861.db2.gz FOGWALXXPGJZIG-NSHDSACASA-N -1 1 399.436 1.287 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1ccsc1 ZINC000820777114 606818412 /nfs/dbraw/zinc/81/84/12/606818412.db2.gz PCWAPMIUCTVPQJ-GFCCVEGCSA-N -1 1 384.469 1.388 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1ccsc1 ZINC000820777114 606818414 /nfs/dbraw/zinc/81/84/14/606818414.db2.gz PCWAPMIUCTVPQJ-GFCCVEGCSA-N -1 1 384.469 1.388 20 0 GDADMM CC(C)=C[C@@H]1[C@@H](C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)C1(C)C ZINC000820005184 606821168 /nfs/dbraw/zinc/82/11/68/606821168.db2.gz MDVUCPGDGMODBJ-ZNMIVQPWSA-N -1 1 396.499 1.932 20 0 GDADMM CC(C)=C[C@@H]1[C@@H](C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)C1(C)C ZINC000820005184 606821169 /nfs/dbraw/zinc/82/11/69/606821169.db2.gz MDVUCPGDGMODBJ-ZNMIVQPWSA-N -1 1 396.499 1.932 20 0 GDADMM CC(=CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)c1ccccc1 ZINC000819766323 606821180 /nfs/dbraw/zinc/82/11/80/606821180.db2.gz WPHZTWWCCBCGQX-ZSMUJPCHSA-N -1 1 390.451 1.797 20 0 GDADMM CC(=CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)c1ccccc1 ZINC000819766323 606821181 /nfs/dbraw/zinc/82/11/81/606821181.db2.gz WPHZTWWCCBCGQX-ZSMUJPCHSA-N -1 1 390.451 1.797 20 0 GDADMM COc1cccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1 ZINC000821857873 606822369 /nfs/dbraw/zinc/82/23/69/606822369.db2.gz BBOKUMYXIVHLAM-LBPRGKRZSA-N -1 1 380.412 1.016 20 0 GDADMM COc1cccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1 ZINC000821857873 606822371 /nfs/dbraw/zinc/82/23/71/606822371.db2.gz BBOKUMYXIVHLAM-LBPRGKRZSA-N -1 1 380.412 1.016 20 0 GDADMM CCOc1cccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1 ZINC000821426956 606823539 /nfs/dbraw/zinc/82/35/39/606823539.db2.gz KZVPQSOBLXLJNJ-ZDUSSCGKSA-N -1 1 394.439 1.406 20 0 GDADMM CCOc1cccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1 ZINC000821426956 606823540 /nfs/dbraw/zinc/82/35/40/606823540.db2.gz KZVPQSOBLXLJNJ-ZDUSSCGKSA-N -1 1 394.439 1.406 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CSC(C)(C)C ZINC000820778859 606823713 /nfs/dbraw/zinc/82/37/13/606823713.db2.gz YCWJREZQZBNLRK-NSHDSACASA-N -1 1 376.490 1.226 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CSC(C)(C)C ZINC000820778859 606823715 /nfs/dbraw/zinc/82/37/15/606823715.db2.gz YCWJREZQZBNLRK-NSHDSACASA-N -1 1 376.490 1.226 20 0 GDADMM Cc1ccc(CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cc1C ZINC000822232928 606825282 /nfs/dbraw/zinc/82/52/82/606825282.db2.gz FBIQRJIURYUAJQ-HNNXBMFYSA-N -1 1 392.467 1.553 20 0 GDADMM Cc1ccc(CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cc1C ZINC000822232928 606825283 /nfs/dbraw/zinc/82/52/83/606825283.db2.gz FBIQRJIURYUAJQ-HNNXBMFYSA-N -1 1 392.467 1.553 20 0 GDADMM COc1csc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1 ZINC000821910870 606825344 /nfs/dbraw/zinc/82/53/44/606825344.db2.gz JKPNRRLKDNYQPU-JTQLQIEISA-N -1 1 386.441 1.078 20 0 GDADMM COc1csc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1 ZINC000821910870 606825345 /nfs/dbraw/zinc/82/53/45/606825345.db2.gz JKPNRRLKDNYQPU-JTQLQIEISA-N -1 1 386.441 1.078 20 0 GDADMM Cc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c(F)c1 ZINC000822226366 606825589 /nfs/dbraw/zinc/82/55/89/606825589.db2.gz ORFZVSAJWQTNFD-GFCCVEGCSA-N -1 1 382.403 1.455 20 0 GDADMM Cc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c(F)c1 ZINC000822226366 606825591 /nfs/dbraw/zinc/82/55/91/606825591.db2.gz ORFZVSAJWQTNFD-GFCCVEGCSA-N -1 1 382.403 1.455 20 0 GDADMM CC(=O)CCCCOC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000819782561 606829525 /nfs/dbraw/zinc/82/95/25/606829525.db2.gz NNLRUIKVYTYSOO-UHFFFAOYSA-N -1 1 385.428 1.761 20 0 GDADMM CC(=O)CCCCOC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000819782561 606829526 /nfs/dbraw/zinc/82/95/26/606829526.db2.gz NNLRUIKVYTYSOO-UHFFFAOYSA-N -1 1 385.428 1.761 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1ccccc1O ZINC000820774960 606830720 /nfs/dbraw/zinc/83/07/20/606830720.db2.gz HIEGGNCXSRXZLY-ZDUSSCGKSA-N -1 1 394.439 1.032 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1ccccc1O ZINC000820774960 606830722 /nfs/dbraw/zinc/83/07/22/606830722.db2.gz HIEGGNCXSRXZLY-ZDUSSCGKSA-N -1 1 394.439 1.032 20 0 GDADMM CC(=O)c1csc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1 ZINC000819844434 606830795 /nfs/dbraw/zinc/83/07/95/606830795.db2.gz HPRJMULYHOZHTL-JTQLQIEISA-N -1 1 398.452 1.272 20 0 GDADMM CC(=O)c1csc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1 ZINC000819844434 606830797 /nfs/dbraw/zinc/83/07/97/606830797.db2.gz HPRJMULYHOZHTL-JTQLQIEISA-N -1 1 398.452 1.272 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc2ccccn2c1 ZINC000820788937 606831386 /nfs/dbraw/zinc/83/13/86/606831386.db2.gz RPTQPLVCIXIWNZ-CYBMUJFWSA-N -1 1 389.423 1.260 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc2ccccn2c1 ZINC000820788937 606831387 /nfs/dbraw/zinc/83/13/87/606831387.db2.gz RPTQPLVCIXIWNZ-CYBMUJFWSA-N -1 1 389.423 1.260 20 0 GDADMM Cc1ccc(OC(F)F)c(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC000822259433 606836542 /nfs/dbraw/zinc/83/65/42/606836542.db2.gz WYAYXWSEUJYNBN-UHFFFAOYSA-N -1 1 378.343 1.832 20 0 GDADMM Cc1ccc(OC(F)F)c(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC000822259433 606836544 /nfs/dbraw/zinc/83/65/44/606836544.db2.gz WYAYXWSEUJYNBN-UHFFFAOYSA-N -1 1 378.343 1.832 20 0 GDADMM Cn1cccc1[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000822693800 606840838 /nfs/dbraw/zinc/84/08/38/606840838.db2.gz KIJXJMVLNHERFP-CQSZACIVSA-N -1 1 376.417 1.870 20 0 GDADMM CC(C)COC1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000820096651 606841516 /nfs/dbraw/zinc/84/15/16/606841516.db2.gz DLHWUUHPYWWWRE-UHFFFAOYSA-N -1 1 383.449 1.832 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCO[C@H](c2ccco2)C1 ZINC000823607358 606845780 /nfs/dbraw/zinc/84/57/80/606845780.db2.gz SMROMXMUBPNKAS-ZDUSSCGKSA-N -1 1 379.373 1.361 20 0 GDADMM Cc1nn(C)c(Cl)c1CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000822497225 606853740 /nfs/dbraw/zinc/85/37/40/606853740.db2.gz YUXBGRGVVZJHBF-JTQLQIEISA-N -1 1 388.867 1.063 20 0 GDADMM Cc1nn(C)c(Cl)c1CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000822497225 606853742 /nfs/dbraw/zinc/85/37/42/606853742.db2.gz YUXBGRGVVZJHBF-JTQLQIEISA-N -1 1 388.867 1.063 20 0 GDADMM CC(C)(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000819923071 606873224 /nfs/dbraw/zinc/87/32/24/606873224.db2.gz UZGXDCOWPYCTKF-ZDUSSCGKSA-N -1 1 397.432 1.501 20 0 GDADMM O=C1CCCCN1C1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000823524991 606878980 /nfs/dbraw/zinc/87/89/80/606878980.db2.gz DQRROFJXLHKUPC-UHFFFAOYSA-N -1 1 378.440 1.791 20 0 GDADMM O=C1CCCCN1C1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000823524991 606878981 /nfs/dbraw/zinc/87/89/81/606878981.db2.gz DQRROFJXLHKUPC-UHFFFAOYSA-N -1 1 378.440 1.791 20 0 GDADMM COc1ccc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)cn1 ZINC000821818522 606884503 /nfs/dbraw/zinc/88/45/03/606884503.db2.gz VEUIWTRMQCAITC-UHFFFAOYSA-N -1 1 382.352 1.027 20 0 GDADMM COC(=O)[C@H]1CCCCCC[C@@H]1NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821655404 606907634 /nfs/dbraw/zinc/90/76/34/606907634.db2.gz KJOMNCLKPYRQPS-JQWIXIFHSA-N -1 1 376.421 1.234 20 0 GDADMM COC(=O)[C@H]1CCCCCC[C@@H]1NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821655404 606907636 /nfs/dbraw/zinc/90/76/36/606907636.db2.gz KJOMNCLKPYRQPS-JQWIXIFHSA-N -1 1 376.421 1.234 20 0 GDADMM O=C(C[C@@H]1COCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccs1 ZINC000822945699 606953516 /nfs/dbraw/zinc/95/35/16/606953516.db2.gz OBPVEZSITYBQFP-GFCCVEGCSA-N -1 1 384.421 1.437 20 0 GDADMM O=C(C[C@@H]1COCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccs1 ZINC000822945699 606953518 /nfs/dbraw/zinc/95/35/18/606953518.db2.gz OBPVEZSITYBQFP-GFCCVEGCSA-N -1 1 384.421 1.437 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000822535495 606985861 /nfs/dbraw/zinc/98/58/61/606985861.db2.gz UHAJSSCPWSASOA-GFCCVEGCSA-N -1 1 378.396 1.569 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000823605757 607007104 /nfs/dbraw/zinc/00/71/04/607007104.db2.gz AUQRCBPDVQOAST-BZNIZROVSA-N -1 1 397.888 1.836 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000823605757 607007106 /nfs/dbraw/zinc/00/71/06/607007106.db2.gz AUQRCBPDVQOAST-BZNIZROVSA-N -1 1 397.888 1.836 20 0 GDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@@H]1CCCN1C(=O)OCC(F)(F)F ZINC000823380475 607025111 /nfs/dbraw/zinc/02/51/11/607025111.db2.gz YOKDSMROKFMTGE-LURJTMIESA-N -1 1 391.335 1.425 20 0 GDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@@H]1CCCN1C(=O)OCC(F)(F)F ZINC000823380475 607025113 /nfs/dbraw/zinc/02/51/13/607025113.db2.gz YOKDSMROKFMTGE-LURJTMIESA-N -1 1 391.335 1.425 20 0 GDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000823382861 607025477 /nfs/dbraw/zinc/02/54/77/607025477.db2.gz FKOHNWLXJARCJR-NSHDSACASA-N -1 1 385.409 1.693 20 0 GDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000823382861 607025478 /nfs/dbraw/zinc/02/54/78/607025478.db2.gz FKOHNWLXJARCJR-NSHDSACASA-N -1 1 385.409 1.693 20 0 GDADMM Cc1nn(C)cc1[C@@H]1CCCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000822496348 607051451 /nfs/dbraw/zinc/05/14/51/607051451.db2.gz KCDAOEJCVMYMRT-ZDUSSCGKSA-N -1 1 391.432 1.574 20 0 GDADMM Cc1nn(C)cc1[C@@H]1CCCN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000822496348 607051452 /nfs/dbraw/zinc/05/14/52/607051452.db2.gz KCDAOEJCVMYMRT-ZDUSSCGKSA-N -1 1 391.432 1.574 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCO[C@H](C)[C@@H]1C ZINC000822459879 607067984 /nfs/dbraw/zinc/06/79/84/607067984.db2.gz ZVZCQKDGIODUQQ-WCQYABFASA-N -1 1 384.444 1.095 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCO[C@H](C)[C@@H]1C ZINC000822459879 607067986 /nfs/dbraw/zinc/06/79/86/607067986.db2.gz ZVZCQKDGIODUQQ-WCQYABFASA-N -1 1 384.444 1.095 20 0 GDADMM C[C@@H]1OCCN(CC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)[C@H]1C ZINC000820819107 607104496 /nfs/dbraw/zinc/10/44/96/607104496.db2.gz FAGODEWOHYACLJ-STQMWFEESA-N -1 1 382.428 1.100 20 0 GDADMM C[C@@H]1OCCN(CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)[C@H]1C ZINC000820819107 607104497 /nfs/dbraw/zinc/10/44/97/607104497.db2.gz FAGODEWOHYACLJ-STQMWFEESA-N -1 1 382.428 1.100 20 0 GDADMM Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822459275 607108427 /nfs/dbraw/zinc/10/84/27/607108427.db2.gz PIWKCPWWGLRYSO-UHFFFAOYSA-N -1 1 385.413 1.109 20 0 GDADMM Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822459275 607108428 /nfs/dbraw/zinc/10/84/28/607108428.db2.gz PIWKCPWWGLRYSO-UHFFFAOYSA-N -1 1 385.413 1.109 20 0 GDADMM O=C(COC(=O)Cc1ccco1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000823023290 607115676 /nfs/dbraw/zinc/11/56/76/607115676.db2.gz ZNJURNFDNFHPNA-UHFFFAOYSA-N -1 1 393.363 1.370 20 0 GDADMM O=C(COC(=O)Cc1ccco1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000823023290 607115677 /nfs/dbraw/zinc/11/56/77/607115677.db2.gz ZNJURNFDNFHPNA-UHFFFAOYSA-N -1 1 393.363 1.370 20 0 GDADMM Cc1cccc2c1ncnc2N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000822334731 607174747 /nfs/dbraw/zinc/17/47/47/607174747.db2.gz FLGBDHYEDHATAH-CYBMUJFWSA-N -1 1 388.439 1.623 20 0 GDADMM Cc1cccc2c1ncnc2N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000822334731 607174748 /nfs/dbraw/zinc/17/47/48/607174748.db2.gz FLGBDHYEDHATAH-CYBMUJFWSA-N -1 1 388.439 1.623 20 0 GDADMM O=C(Cc1ccn(-c2ccc(F)cc2)n1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823114767 607185594 /nfs/dbraw/zinc/18/55/94/607185594.db2.gz DAWODYHLPZPKRV-UHFFFAOYSA-N -1 1 379.355 1.872 20 0 GDADMM O=C(Cc1ccn(-c2ccc(F)cc2)n1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823114767 607185595 /nfs/dbraw/zinc/18/55/95/607185595.db2.gz DAWODYHLPZPKRV-UHFFFAOYSA-N -1 1 379.355 1.872 20 0 GDADMM CC(C)c1nccn1Cc1cccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000820206411 607207787 /nfs/dbraw/zinc/20/77/87/607207787.db2.gz JNODHMZJKRBVDO-UHFFFAOYSA-N -1 1 392.427 1.465 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000823123138 607209156 /nfs/dbraw/zinc/20/91/56/607209156.db2.gz PASXNCYCAIHYQN-UHFFFAOYSA-N -1 1 396.411 1.158 20 0 GDADMM CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821220607 607209401 /nfs/dbraw/zinc/20/94/01/607209401.db2.gz CMWWSCJVBSUFDA-UHFFFAOYSA-N -1 1 381.227 1.814 20 0 GDADMM CC(C)[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1cccc(C(F)(F)F)c1 ZINC000820026359 607212392 /nfs/dbraw/zinc/21/23/92/607212392.db2.gz IVNCMERYPHEHNB-CYBMUJFWSA-N -1 1 394.361 1.991 20 0 GDADMM CC(C)COc1ccc(C(C)(C)NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000820103222 607214918 /nfs/dbraw/zinc/21/49/18/607214918.db2.gz QAKNLFCXMWBOJI-UHFFFAOYSA-N -1 1 384.444 1.545 20 0 GDADMM COc1ccc2oc([C@H](C)NC(=O)Cn3cnc(-c4nn[n-]n4)n3)c(C)c2c1 ZINC000821854425 607215165 /nfs/dbraw/zinc/21/51/65/607215165.db2.gz JJRQPSXVXVFUON-JTQLQIEISA-N -1 1 382.384 1.399 20 0 GDADMM Cc1nc(C)c(-c2csc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)n2)s1 ZINC000822427805 607216169 /nfs/dbraw/zinc/21/61/69/607216169.db2.gz VOIBNYRTIVQAQX-UHFFFAOYSA-N -1 1 388.442 1.294 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000823126745 607224616 /nfs/dbraw/zinc/22/46/16/607224616.db2.gz MMVDSSFNCLAQMF-ZDUSSCGKSA-N -1 1 380.412 1.411 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCC1(C2CC2)CC1 ZINC000826327967 607773777 /nfs/dbraw/zinc/77/37/77/607773777.db2.gz AZPIUYFYZCSEOK-UHFFFAOYSA-N -1 1 380.456 1.765 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCC1(C2CC2)CC1 ZINC000826327967 607773778 /nfs/dbraw/zinc/77/37/78/607773778.db2.gz AZPIUYFYZCSEOK-UHFFFAOYSA-N -1 1 380.456 1.765 20 0 GDADMM Cc1cc(S(N)(=O)=O)cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1C ZINC000826272407 607781042 /nfs/dbraw/zinc/78/10/42/607781042.db2.gz HTEJPXUJZYMKKO-UHFFFAOYSA-N -1 1 388.409 1.089 20 0 GDADMM NC(=O)N1CCc2cc([N-]S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)ccc21 ZINC000826392388 607809602 /nfs/dbraw/zinc/80/96/02/607809602.db2.gz WSYQTLYYVUOTEJ-UHFFFAOYSA-N -1 1 385.409 1.109 20 0 GDADMM O=S(=O)(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826488477 607819854 /nfs/dbraw/zinc/81/98/54/607819854.db2.gz RAPMMKYZLXQFIO-LERXQTSPSA-N -1 1 379.417 1.242 20 0 GDADMM C[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)[C@H]1COc2ccccc21 ZINC000824640216 607852760 /nfs/dbraw/zinc/85/27/60/607852760.db2.gz DCKCSMOTLPIJRL-QMTHXVAHSA-N -1 1 389.412 1.849 20 0 GDADMM c1cc(Sc2nnnn2-c2ccc3c(c2)OCCO3)nc(-c2nnn[n-]2)c1 ZINC000826517551 607900536 /nfs/dbraw/zinc/90/05/36/607900536.db2.gz HSMLXPRWLYNLCS-UHFFFAOYSA-N -1 1 381.381 1.160 20 0 GDADMM c1cc(Sc2nnnn2-c2ccc3c(c2)OCCO3)nc(-c2nn[n-]n2)c1 ZINC000826517551 607900537 /nfs/dbraw/zinc/90/05/37/607900537.db2.gz HSMLXPRWLYNLCS-UHFFFAOYSA-N -1 1 381.381 1.160 20 0 GDADMM COCCOc1ccccc1N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000826163451 607902267 /nfs/dbraw/zinc/90/22/67/607902267.db2.gz VKZLLWJPDIBQEY-UHFFFAOYSA-N -1 1 381.440 1.614 20 0 GDADMM COCCOc1ccccc1N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000826163451 607902268 /nfs/dbraw/zinc/90/22/68/607902268.db2.gz VKZLLWJPDIBQEY-UHFFFAOYSA-N -1 1 381.440 1.614 20 0 GDADMM CN(C[C@@H](O)C1CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825902731 608000546 /nfs/dbraw/zinc/00/05/46/608000546.db2.gz ZGRFOJQGFOAXNZ-LLVKDONJSA-N -1 1 391.375 1.277 20 0 GDADMM CCc1onc(C)c1NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000825777235 608009224 /nfs/dbraw/zinc/00/92/24/608009224.db2.gz RAFBPNGLDFGYKD-UHFFFAOYSA-N -1 1 395.427 1.956 20 0 GDADMM CCc1onc(C)c1NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000825777235 608009225 /nfs/dbraw/zinc/00/92/25/608009225.db2.gz RAFBPNGLDFGYKD-UHFFFAOYSA-N -1 1 395.427 1.956 20 0 GDADMM CC(C)(CCC(=O)[O-])NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000824153006 608011026 /nfs/dbraw/zinc/01/10/26/608011026.db2.gz XQSIFULHHOVNQE-UHFFFAOYSA-N -1 1 375.357 1.067 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC2(CCOCc3ccccc3)CC2)n1 ZINC000826357304 608032334 /nfs/dbraw/zinc/03/23/34/608032334.db2.gz ZUSKXJCPMJXEPX-UHFFFAOYSA-N -1 1 382.428 1.861 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC2(CCOCc3ccccc3)CC2)n1 ZINC000826357304 608032335 /nfs/dbraw/zinc/03/23/35/608032335.db2.gz ZUSKXJCPMJXEPX-UHFFFAOYSA-N -1 1 382.428 1.861 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccccc2F)C1=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826430835 608061454 /nfs/dbraw/zinc/06/14/54/608061454.db2.gz LKDGAUMRNMCKGH-NSHDSACASA-N -1 1 386.412 1.993 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccccc2F)C1=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826430835 608061455 /nfs/dbraw/zinc/06/14/55/608061455.db2.gz LKDGAUMRNMCKGH-NSHDSACASA-N -1 1 386.412 1.993 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CCCc2ccc(C(F)(F)F)cc2)c1=O ZINC000826356470 608096495 /nfs/dbraw/zinc/09/64/95/608096495.db2.gz SCZWERALTLVNMF-UHFFFAOYSA-N -1 1 380.330 1.379 20 0 GDADMM O=C(CCCCOc1cccc(-c2nn[nH]n2)c1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000826405987 608108997 /nfs/dbraw/zinc/10/89/97/608108997.db2.gz CBRATWZMNVFQKL-AWEZNQCLSA-N -1 1 397.443 1.335 20 0 GDADMM O=C(O[C@H]1CCCN(c2ccccc2F)C1=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826462319 608116648 /nfs/dbraw/zinc/11/66/48/608116648.db2.gz VCOYXAJJJOFUHM-HNNXBMFYSA-N -1 1 382.355 1.753 20 0 GDADMM O=C(O[C@H]1CCCN(c2ccccc2F)C1=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826462319 608116649 /nfs/dbraw/zinc/11/66/49/608116649.db2.gz VCOYXAJJJOFUHM-HNNXBMFYSA-N -1 1 382.355 1.753 20 0 GDADMM CC(C)n1nnnc1-c1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824377902 608139293 /nfs/dbraw/zinc/13/92/93/608139293.db2.gz RNLCZCUWOVJEBM-UHFFFAOYSA-N -1 1 376.384 1.748 20 0 GDADMM CC(C)n1nnnc1-c1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824377902 608139294 /nfs/dbraw/zinc/13/92/94/608139294.db2.gz RNLCZCUWOVJEBM-UHFFFAOYSA-N -1 1 376.384 1.748 20 0 GDADMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1ccccc1I ZINC000826424795 608147686 /nfs/dbraw/zinc/14/76/86/608147686.db2.gz DAOHCICPKXHKFE-UHFFFAOYSA-N -1 1 395.164 1.307 20 0 GDADMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1ccccc1I ZINC000826424795 608147688 /nfs/dbraw/zinc/14/76/88/608147688.db2.gz DAOHCICPKXHKFE-UHFFFAOYSA-N -1 1 395.164 1.307 20 0 GDADMM Cc1cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cc(C)c1F ZINC000826258163 608156600 /nfs/dbraw/zinc/15/66/00/608156600.db2.gz CDHOQAJYSJSUSH-ZDUSSCGKSA-N -1 1 396.430 1.764 20 0 GDADMM Cc1cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cc(C)c1F ZINC000826258163 608156602 /nfs/dbraw/zinc/15/66/02/608156602.db2.gz CDHOQAJYSJSUSH-ZDUSSCGKSA-N -1 1 396.430 1.764 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N[C@H]1CC12CCCCC2 ZINC000825000453 608164443 /nfs/dbraw/zinc/16/44/43/608164443.db2.gz QRGKQRQRRYUTRH-KBPBESRZSA-N -1 1 397.487 1.600 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N[C@H]1CC12CCCCC2 ZINC000825000453 608164445 /nfs/dbraw/zinc/16/44/45/608164445.db2.gz QRGKQRQRRYUTRH-KBPBESRZSA-N -1 1 397.487 1.600 20 0 GDADMM Clc1nsc(N2CCO[C@H](c3noc(C4CC4)n3)C2)c1-c1nnn[n-]1 ZINC000826354157 608181607 /nfs/dbraw/zinc/18/16/07/608181607.db2.gz RFSPEWGPVKDYPA-ZETCQYMHSA-N -1 1 380.821 1.815 20 0 GDADMM Clc1nsc(N2CCO[C@H](c3noc(C4CC4)n3)C2)c1-c1nn[n-]n1 ZINC000826354157 608181608 /nfs/dbraw/zinc/18/16/08/608181608.db2.gz RFSPEWGPVKDYPA-ZETCQYMHSA-N -1 1 380.821 1.815 20 0 GDADMM CS(=O)(=O)NCC[C@@H]1CCCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000826223633 608189499 /nfs/dbraw/zinc/18/94/99/608189499.db2.gz UMGFRPRGNICNIC-QMMMGPOBSA-N -1 1 391.910 1.275 20 0 GDADMM CS(=O)(=O)NCC[C@@H]1CCCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000826223633 608189501 /nfs/dbraw/zinc/18/95/01/608189501.db2.gz UMGFRPRGNICNIC-QMMMGPOBSA-N -1 1 391.910 1.275 20 0 GDADMM CC(C)Oc1ccc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cn1 ZINC000824323764 608212319 /nfs/dbraw/zinc/21/23/19/608212319.db2.gz BBCXSWKKMVONHR-UHFFFAOYSA-N -1 1 385.432 1.059 20 0 GDADMM CC(C)Oc1ccc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cn1 ZINC000824323764 608212320 /nfs/dbraw/zinc/21/23/20/608212320.db2.gz BBCXSWKKMVONHR-UHFFFAOYSA-N -1 1 385.432 1.059 20 0 GDADMM Cc1ccc(-c2cc(C(=O)N(C)CCCc3[nH]nc(N)c3-c3nn[n-]n3)[nH]n2)o1 ZINC000826273341 608212322 /nfs/dbraw/zinc/21/23/22/608212322.db2.gz ZNXHSLCDAXZNDO-UHFFFAOYSA-N -1 1 396.415 1.168 20 0 GDADMM Cc1ccc2c(CC(=O)N(C)CCCc3[nH]nc(N)c3-c3nnn[n-]3)c[nH]c2c1 ZINC000826293391 608213208 /nfs/dbraw/zinc/21/32/08/608213208.db2.gz NPAYGMVVRMUGSW-UHFFFAOYSA-N -1 1 393.455 1.595 20 0 GDADMM Cc1ccc2c(CC(=O)N(C)CCCc3[nH]nc(N)c3-c3nn[n-]n3)c[nH]c2c1 ZINC000826293391 608213210 /nfs/dbraw/zinc/21/32/10/608213210.db2.gz NPAYGMVVRMUGSW-UHFFFAOYSA-N -1 1 393.455 1.595 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000824974740 608245094 /nfs/dbraw/zinc/24/50/94/608245094.db2.gz FBOKJZQYLJKMSP-NWDGAFQWSA-N -1 1 387.444 1.732 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000824974740 608245096 /nfs/dbraw/zinc/24/50/96/608245096.db2.gz FBOKJZQYLJKMSP-NWDGAFQWSA-N -1 1 387.444 1.732 20 0 GDADMM O=S(=O)(N[C@H](CO)c1ccc(Cl)cc1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826487040 608248129 /nfs/dbraw/zinc/24/81/29/608248129.db2.gz BBHFHAUKSPQROV-CYBMUJFWSA-N -1 1 397.819 1.671 20 0 GDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000826395468 608278993 /nfs/dbraw/zinc/27/89/93/608278993.db2.gz DAGCLVXNMWIRQQ-UHFFFAOYSA-N -1 1 390.194 1.826 20 0 GDADMM NC(=O)c1cc([C@H]2CCCN(c3c4ccccc4nnc3-c3nnn[n-]3)C2)n[nH]1 ZINC000826393053 608293638 /nfs/dbraw/zinc/29/36/38/608293638.db2.gz ZNVZXUUAWVAQMR-JTQLQIEISA-N -1 1 390.411 1.016 20 0 GDADMM NC(=O)c1cc([C@H]2CCCN(c3c4ccccc4nnc3-c3nn[n-]n3)C2)n[nH]1 ZINC000826393053 608293639 /nfs/dbraw/zinc/29/36/39/608293639.db2.gz ZNVZXUUAWVAQMR-JTQLQIEISA-N -1 1 390.411 1.016 20 0 GDADMM Cc1nn(-c2ccccc2)c(CN2CCC[C@@H]2c2nncn2C)c1-c1nn[n-]n1 ZINC000826332581 608321679 /nfs/dbraw/zinc/32/16/79/608321679.db2.gz YIXBQLKSARFUJF-OAHLLOKOSA-N -1 1 390.455 1.826 20 0 GDADMM C[C@H]1CC(NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C[C@H](C)C1 ZINC000824875293 608354637 /nfs/dbraw/zinc/35/46/37/608354637.db2.gz KXKVSKQYETXVMU-GHMZBOCLSA-N -1 1 388.476 1.698 20 0 GDADMM C[C@H]1CC(NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C[C@H](C)C1 ZINC000824875293 608354639 /nfs/dbraw/zinc/35/46/39/608354639.db2.gz KXKVSKQYETXVMU-GHMZBOCLSA-N -1 1 388.476 1.698 20 0 GDADMM C[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C[C@H](C)S1 ZINC000824970869 608354789 /nfs/dbraw/zinc/35/47/89/608354789.db2.gz YIAVFBBDRHQKEB-AOOOYVTPSA-N -1 1 392.489 1.109 20 0 GDADMM C[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C[C@H](C)S1 ZINC000824970869 608354791 /nfs/dbraw/zinc/35/47/91/608354791.db2.gz YIAVFBBDRHQKEB-AOOOYVTPSA-N -1 1 392.489 1.109 20 0 GDADMM CCC[C@H]1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000825252842 608356719 /nfs/dbraw/zinc/35/67/19/608356719.db2.gz KQWLITDTTRBDQU-LBPRGKRZSA-N -1 1 388.476 1.795 20 0 GDADMM CCC[C@H]1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000825252842 608356721 /nfs/dbraw/zinc/35/67/21/608356721.db2.gz KQWLITDTTRBDQU-LBPRGKRZSA-N -1 1 388.476 1.795 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCC2(C3CC3)CCC2)n1 ZINC000824147456 608358031 /nfs/dbraw/zinc/35/80/31/608358031.db2.gz DBKGZSAQACWVRD-UHFFFAOYSA-N -1 1 386.460 1.453 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCC2(C3CC3)CCC2)n1 ZINC000824147456 608358033 /nfs/dbraw/zinc/35/80/33/608358033.db2.gz DBKGZSAQACWVRD-UHFFFAOYSA-N -1 1 386.460 1.453 20 0 GDADMM COCc1nsc(N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)n1 ZINC000826166235 608365013 /nfs/dbraw/zinc/36/50/13/608365013.db2.gz ZVWRFEWFUDIOBP-UHFFFAOYSA-N -1 1 389.445 1.057 20 0 GDADMM O=C(NCCNc1ccc(-c2nnn[n-]2)nn1)c1ccc(Br)cc1 ZINC000826438258 608403922 /nfs/dbraw/zinc/40/39/22/608403922.db2.gz VFIGAKTXXSAMTD-UHFFFAOYSA-N -1 1 389.217 1.261 20 0 GDADMM O=C(NCCNc1ccc(-c2nn[n-]n2)nn1)c1ccc(Br)cc1 ZINC000826438258 608403924 /nfs/dbraw/zinc/40/39/24/608403924.db2.gz VFIGAKTXXSAMTD-UHFFFAOYSA-N -1 1 389.217 1.261 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCc1ccccc1Cl ZINC000825930112 608408088 /nfs/dbraw/zinc/40/80/88/608408088.db2.gz PTXHXKPUQKZVBR-UHFFFAOYSA-N -1 1 389.851 1.600 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCc1ccccc1Cl ZINC000825930112 608408089 /nfs/dbraw/zinc/40/80/89/608408089.db2.gz PTXHXKPUQKZVBR-UHFFFAOYSA-N -1 1 389.851 1.600 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1ccc(Cl)cc1 ZINC000825929486 608408292 /nfs/dbraw/zinc/40/82/92/608408292.db2.gz GSFQTXFKITYRCL-UHFFFAOYSA-N -1 1 375.824 1.922 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1ccc(Cl)cc1 ZINC000825929486 608408293 /nfs/dbraw/zinc/40/82/93/608408293.db2.gz GSFQTXFKITYRCL-UHFFFAOYSA-N -1 1 375.824 1.922 20 0 GDADMM Ic1ccc(CCNc2ccc(-c3nnn[n-]3)nn2)s1 ZINC000826378927 608410419 /nfs/dbraw/zinc/41/04/19/608410419.db2.gz DYSQXUWWRXAYBH-UHFFFAOYSA-N -1 1 399.221 1.977 20 0 GDADMM Ic1ccc(CCNc2ccc(-c3nn[n-]n3)nn2)s1 ZINC000826378927 608410420 /nfs/dbraw/zinc/41/04/20/608410420.db2.gz DYSQXUWWRXAYBH-UHFFFAOYSA-N -1 1 399.221 1.977 20 0 GDADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000824649427 608414792 /nfs/dbraw/zinc/41/47/92/608414792.db2.gz LVDJPBIQLNNGOW-NSHDSACASA-N -1 1 384.419 1.930 20 0 GDADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000824649427 608414793 /nfs/dbraw/zinc/41/47/93/608414793.db2.gz LVDJPBIQLNNGOW-NSHDSACASA-N -1 1 384.419 1.930 20 0 GDADMM CC[C@@H](CSC)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000825128680 608423360 /nfs/dbraw/zinc/42/33/60/608423360.db2.gz XWLWTPRBJPRDHL-RYUDHWBXSA-N -1 1 391.505 1.018 20 0 GDADMM CC[C@@H](CSC)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000825128680 608423362 /nfs/dbraw/zinc/42/33/62/608423362.db2.gz XWLWTPRBJPRDHL-RYUDHWBXSA-N -1 1 391.505 1.018 20 0 GDADMM O=C1CCCN1CC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)c2ccccc21 ZINC000826480822 608430813 /nfs/dbraw/zinc/43/08/13/608430813.db2.gz SKBAUPBBOVBJSJ-CYBMUJFWSA-N -1 1 376.424 1.905 20 0 GDADMM O=C1CCCN1CC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)c2ccccc21 ZINC000826480822 608430814 /nfs/dbraw/zinc/43/08/14/608430814.db2.gz SKBAUPBBOVBJSJ-CYBMUJFWSA-N -1 1 376.424 1.905 20 0 GDADMM O=C(Cc1c[nH]c2ccccc12)N1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000826421650 608546984 /nfs/dbraw/zinc/54/69/84/608546984.db2.gz SCRCHCNRABGAPQ-UHFFFAOYSA-N -1 1 391.435 1.828 20 0 GDADMM O=C(Cc1c[nH]c2ccccc12)N1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000826421650 608546986 /nfs/dbraw/zinc/54/69/86/608546986.db2.gz SCRCHCNRABGAPQ-UHFFFAOYSA-N -1 1 391.435 1.828 20 0 GDADMM CC(C)c1cccc(OCC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000824347914 608556057 /nfs/dbraw/zinc/55/60/57/608556057.db2.gz SJPMRUVUDHVQSM-UHFFFAOYSA-N -1 1 398.471 1.765 20 0 GDADMM CC(C)c1cccc(OCC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000824347914 608556059 /nfs/dbraw/zinc/55/60/59/608556059.db2.gz SJPMRUVUDHVQSM-UHFFFAOYSA-N -1 1 398.471 1.765 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@@H]1CCCc2sccc21 ZINC000825923680 608559399 /nfs/dbraw/zinc/55/93/99/608559399.db2.gz REOBTMQNIVDZAM-LLVKDONJSA-N -1 1 386.485 1.745 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@@H]1CCCc2sccc21 ZINC000825923680 608559401 /nfs/dbraw/zinc/55/94/01/608559401.db2.gz REOBTMQNIVDZAM-LLVKDONJSA-N -1 1 386.485 1.745 20 0 GDADMM Cc1ccc(CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c(Cl)c1 ZINC000826286589 608561063 /nfs/dbraw/zinc/56/10/63/608561063.db2.gz IIRSUFYVLCDEHS-UHFFFAOYSA-N -1 1 388.863 1.768 20 0 GDADMM Cc1ccc(CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c(Cl)c1 ZINC000826286589 608561065 /nfs/dbraw/zinc/56/10/65/608561065.db2.gz IIRSUFYVLCDEHS-UHFFFAOYSA-N -1 1 388.863 1.768 20 0 GDADMM Cc1nn(C)c2c1N(S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)CCO2 ZINC000826334218 608589409 /nfs/dbraw/zinc/58/94/09/608589409.db2.gz MDDIPEVNGFABBT-UHFFFAOYSA-N -1 1 395.832 1.150 20 0 GDADMM CCOc1cccc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)n1 ZINC000825649713 608839835 /nfs/dbraw/zinc/83/98/35/608839835.db2.gz VTPFLQKAROPCFY-CYBMUJFWSA-N -1 1 381.444 1.161 20 0 GDADMM CCOc1cccc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)n1 ZINC000825649713 608839836 /nfs/dbraw/zinc/83/98/36/608839836.db2.gz VTPFLQKAROPCFY-CYBMUJFWSA-N -1 1 381.444 1.161 20 0 GDADMM COc1cc(-c2noc(Cn3ccnc3-c3nnn[n-]3)n2)ccc1OC(F)F ZINC000826176759 608889720 /nfs/dbraw/zinc/88/97/20/608889720.db2.gz CAEFXYQNIKDIKS-UHFFFAOYSA-N -1 1 390.310 1.772 20 0 GDADMM COc1cc(-c2noc(Cn3ccnc3-c3nn[n-]n3)n2)ccc1OC(F)F ZINC000826176759 608889721 /nfs/dbraw/zinc/88/97/21/608889721.db2.gz CAEFXYQNIKDIKS-UHFFFAOYSA-N -1 1 390.310 1.772 20 0 GDADMM CSc1ccccc1CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826231154 609261653 /nfs/dbraw/zinc/26/16/53/609261653.db2.gz ZMJXVVWVWXZCQT-UHFFFAOYSA-N -1 1 386.485 1.528 20 0 GDADMM CSc1ccccc1CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826231154 609261655 /nfs/dbraw/zinc/26/16/55/609261655.db2.gz ZMJXVVWVWXZCQT-UHFFFAOYSA-N -1 1 386.485 1.528 20 0 GDADMM CC(C)(C)[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C[C@H]1O ZINC000824078309 609294746 /nfs/dbraw/zinc/29/47/46/609294746.db2.gz HXZZXKRDCVPENP-TZMCWYRMSA-N -1 1 383.449 1.423 20 0 GDADMM C[C@@H](CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccccc1 ZINC000824422434 609298300 /nfs/dbraw/zinc/29/83/00/609298300.db2.gz ZUKULCKDDVJPTN-LBPRGKRZSA-N -1 1 383.460 1.550 20 0 GDADMM C[C@@H](CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccccc1 ZINC000824422434 609298302 /nfs/dbraw/zinc/29/83/02/609298302.db2.gz ZUKULCKDDVJPTN-LBPRGKRZSA-N -1 1 383.460 1.550 20 0 GDADMM CC1CCC(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CC1 ZINC000824909054 609299978 /nfs/dbraw/zinc/29/99/78/609299978.db2.gz SKNXSOAPOFESJA-UHFFFAOYSA-N -1 1 375.481 1.572 20 0 GDADMM CC1CCC(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CC1 ZINC000824909054 609299980 /nfs/dbraw/zinc/29/99/80/609299980.db2.gz SKNXSOAPOFESJA-UHFFFAOYSA-N -1 1 375.481 1.572 20 0 GDADMM C[C@H]1C[C@@H]1c1ccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)o1 ZINC000824900913 609300083 /nfs/dbraw/zinc/30/00/83/609300083.db2.gz WPDOAMCKDJMFLQ-JQWIXIFHSA-N -1 1 399.459 1.663 20 0 GDADMM C[C@H]1C[C@@H]1c1ccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)o1 ZINC000824900913 609300085 /nfs/dbraw/zinc/30/00/85/609300085.db2.gz WPDOAMCKDJMFLQ-JQWIXIFHSA-N -1 1 399.459 1.663 20 0 GDADMM CC[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1nccs1 ZINC000825132979 609302140 /nfs/dbraw/zinc/30/21/40/609302140.db2.gz GQRJLMFUZHUVBI-SECBINFHSA-N -1 1 390.477 1.354 20 0 GDADMM CC[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1nccs1 ZINC000825132979 609302142 /nfs/dbraw/zinc/30/21/42/609302142.db2.gz GQRJLMFUZHUVBI-SECBINFHSA-N -1 1 390.477 1.354 20 0 GDADMM Cc1cnc([C@@H](C)NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)s1 ZINC000826317384 609304464 /nfs/dbraw/zinc/30/44/64/609304464.db2.gz ATVLDKOITDAHTH-SECBINFHSA-N -1 1 390.477 1.272 20 0 GDADMM Cc1cnc([C@@H](C)NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)s1 ZINC000826317384 609304466 /nfs/dbraw/zinc/30/44/66/609304466.db2.gz ATVLDKOITDAHTH-SECBINFHSA-N -1 1 390.477 1.272 20 0 GDADMM Cc1cc(C)cc(CCNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000826264159 609304695 /nfs/dbraw/zinc/30/46/95/609304695.db2.gz DTHCZQGMVHMYOX-UHFFFAOYSA-N -1 1 397.487 1.606 20 0 GDADMM Cc1cc(C)cc(CCNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000826264159 609304696 /nfs/dbraw/zinc/30/46/96/609304696.db2.gz DTHCZQGMVHMYOX-UHFFFAOYSA-N -1 1 397.487 1.606 20 0 GDADMM CC(C)CSCCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824274100 609309401 /nfs/dbraw/zinc/30/94/01/609309401.db2.gz FHRGLUCAVJGNFT-UHFFFAOYSA-N -1 1 381.510 1.135 20 0 GDADMM CC(C)CSCCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824274100 609309402 /nfs/dbraw/zinc/30/94/02/609309402.db2.gz FHRGLUCAVJGNFT-UHFFFAOYSA-N -1 1 381.510 1.135 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1cnc2[nH]cnc2c1 ZINC000826458945 609314319 /nfs/dbraw/zinc/31/43/19/609314319.db2.gz NVLDGHADYLIHPF-UHFFFAOYSA-N -1 1 390.342 1.715 20 0 GDADMM Cc1nn(-c2ccccc2)cc1CNC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000826332743 609320460 /nfs/dbraw/zinc/32/04/60/609320460.db2.gz GAKJTJQRVIHCLE-UHFFFAOYSA-N -1 1 378.396 1.516 20 0 GDADMM Cc1nn(-c2ccccc2)cc1CNC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000826332743 609320463 /nfs/dbraw/zinc/32/04/63/609320463.db2.gz GAKJTJQRVIHCLE-UHFFFAOYSA-N -1 1 378.396 1.516 20 0 GDADMM CCC(CC)[C@H]1C[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC000825106391 609332792 /nfs/dbraw/zinc/33/27/92/609332792.db2.gz BKJHDRYHWPHULZ-SWLSCSKDSA-N -1 1 380.474 1.524 20 0 GDADMM CCC(CC)[C@H]1C[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC000825106391 609332794 /nfs/dbraw/zinc/33/27/94/609332794.db2.gz BKJHDRYHWPHULZ-SWLSCSKDSA-N -1 1 380.474 1.524 20 0 GDADMM CC(C)[C@](C)(O)CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824193080 609355394 /nfs/dbraw/zinc/35/53/94/609355394.db2.gz RWDQSBLPCIXGCP-QGZVFWFLSA-N -1 1 388.407 1.720 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N[C@H]1CC[C@H](O)CC1 ZINC000826458603 609359867 /nfs/dbraw/zinc/35/98/67/609359867.db2.gz XNCDJBLSRNQKSF-XYPYZODXSA-N -1 1 386.391 1.617 20 0 GDADMM O=C(NC[C@H]1CCC[C@H]1O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826434863 609361530 /nfs/dbraw/zinc/36/15/30/609361530.db2.gz ZXPRLSZHCBSTIU-ZWNOBZJWSA-N -1 1 386.391 1.474 20 0 GDADMM O=C(NC[C@@H]1CCC[C@H]1O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826434861 609361861 /nfs/dbraw/zinc/36/18/61/609361861.db2.gz ZXPRLSZHCBSTIU-GXFFZTMASA-N -1 1 386.391 1.474 20 0 GDADMM C[C@@H](NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C1CCC1 ZINC000824470264 609367972 /nfs/dbraw/zinc/36/79/72/609367972.db2.gz HEVAMIDFDOAKOH-SNVBAGLBSA-N -1 1 398.402 1.435 20 0 GDADMM O=S(=O)(Oc1cncc(Br)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826493857 609398684 /nfs/dbraw/zinc/39/86/84/609398684.db2.gz GAFPVWIYWQQFEF-UHFFFAOYSA-N -1 1 383.187 1.187 20 0 GDADMM O=S(=O)(Oc1cncc(Br)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826493857 609398687 /nfs/dbraw/zinc/39/86/87/609398687.db2.gz GAFPVWIYWQQFEF-UHFFFAOYSA-N -1 1 383.187 1.187 20 0 GDADMM Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000826334520 609404709 /nfs/dbraw/zinc/40/47/09/609404709.db2.gz YNGDISJAXILDPX-LURJTMIESA-N -1 1 383.338 1.465 20 0 GDADMM Cc1oc(NC(=O)CN[C@@H](CO)c2c(F)cccc2F)c(-c2nn[n-]n2)c1C ZINC000826342018 609424474 /nfs/dbraw/zinc/42/44/74/609424474.db2.gz VTDKEDMCTWUFLZ-LBPRGKRZSA-N -1 1 392.366 1.616 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCc1ccnc(N(C)C)c1 ZINC000826232625 609437520 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392.474 1.387 20 0 GDADMM COC[C@@H]([N-]S(=O)(=O)c1nc(C)n(C)c1Br)[C@H]1CCCOC1 ZINC000885750721 657538837 /nfs/dbraw/zinc/53/88/37/657538837.db2.gz QRXLZPZSZPXDMM-WDEREUQCSA-N -1 1 396.307 1.211 20 0 GDADMM COC[C@@H]([N-]S(=O)(=O)c1ncccc1Br)[C@H]1CCCOC1 ZINC000885753031 657539571 /nfs/dbraw/zinc/53/95/71/657539571.db2.gz JUTRIHXFAYQQIV-CMPLNLGQSA-N -1 1 379.276 1.564 20 0 GDADMM CCOCCOCCNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000885765543 657547960 /nfs/dbraw/zinc/54/79/60/657547960.db2.gz OGLWIISTHCWDAM-UHFFFAOYSA-N -1 1 399.296 1.441 20 0 GDADMM CCS(=O)(=O)N1CCC(C(=O)NCCc2c(F)cc([O-])cc2F)CC1 ZINC000886263347 657632349 /nfs/dbraw/zinc/63/23/49/657632349.db2.gz SVFBLWBHXINLQR-UHFFFAOYSA-N -1 1 376.425 1.391 20 0 GDADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCSC[C@@H]2c2cnn(C)c2)co1 ZINC000888886926 657952438 /nfs/dbraw/zinc/95/24/38/657952438.db2.gz ZZPYFASLTCASAG-CYBMUJFWSA-N -1 1 384.483 1.242 20 0 GDADMM COC(=O)[C@@](C)(Cn1cccn1)NC(=O)c1cc(Br)ccc1[O-] ZINC000890951566 658165978 /nfs/dbraw/zinc/16/59/78/658165978.db2.gz CYNSPBBKAOQNFI-OAHLLOKOSA-N -1 1 382.214 1.713 20 0 GDADMM CCOC(=O)N1C[C@H](NC(=O)c2ccc(Br)c([O-])c2)[C@@H](CO)C1 ZINC000890987850 658174674 /nfs/dbraw/zinc/17/46/74/658174674.db2.gz ZXAYUDJOQBDEAX-PWSUYJOCSA-N -1 1 387.230 1.334 20 0 GDADMM O=C(NCc1nc([O-])cc(=O)[nH]1)[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC000898754119 658955766 /nfs/dbraw/zinc/95/57/66/658955766.db2.gz FQGSAWPZWGWUDI-WKPIXPDZSA-N -1 1 376.210 1.852 20 0 GDADMM CC[C@H](C)[C@H](NC(=O)c1cnc(I)c(O)c1)C(=O)[O-] ZINC000901477926 659215659 /nfs/dbraw/zinc/21/56/59/659215659.db2.gz LJZMICZXLDWOJV-RCOVLWMOSA-N -1 1 378.166 1.621 20 0 GDADMM CC(C)[C@H](CNC(=O)c1cnc(I)c(O)c1)C(=O)[O-] ZINC000902024989 659242818 /nfs/dbraw/zinc/24/28/18/659242818.db2.gz BZVIPMLQVFNMPY-QMMMGPOBSA-N -1 1 378.166 1.478 20 0 GDADMM CS(=O)(=O)CC1([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)COC1 ZINC000903176049 659298885 /nfs/dbraw/zinc/29/88/85/659298885.db2.gz JZTYJIBALMATGX-UHFFFAOYSA-N -1 1 388.294 1.226 20 0 GDADMM Cn1cc([N-]S(=O)(=O)c2cnn(C)c2Br)c(Br)n1 ZINC000903174762 659299050 /nfs/dbraw/zinc/29/90/50/659299050.db2.gz IXPWIPJWWHLKIS-UHFFFAOYSA-N -1 1 399.068 1.479 20 0 GDADMM CCOC(=O)[C@@](C)([N-]S(=O)(=O)c1c(C)nn(COC)c1C)C(F)(F)F ZINC000903232660 659309443 /nfs/dbraw/zinc/30/94/43/659309443.db2.gz XMIGWVGQUSVUGH-GFCCVEGCSA-N -1 1 387.380 1.266 20 0 GDADMM CCOC(=O)[C@@](C)([N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1)C(F)(F)F ZINC000903232290 659309641 /nfs/dbraw/zinc/30/96/41/659309641.db2.gz VKDKJBNREABVNU-JOYOIKCWSA-N -1 1 385.364 1.007 20 0 GDADMM Cc1cc(Cc2noc([C@]3(C(=O)[O-])CNCCO3)n2)ccc1Br ZINC000904720061 659406779 /nfs/dbraw/zinc/40/67/79/659406779.db2.gz ALRPXLHPNGEJLU-HNNXBMFYSA-N -1 1 382.214 1.631 20 0 GDADMM COc1ccc(-c2nnc(S(=O)(=O)[C@@H]3CCOC3)[n-]2)cc1Br ZINC000905251584 659437089 /nfs/dbraw/zinc/43/70/89/659437089.db2.gz GPIZMFGTKPJKKG-SECBINFHSA-N -1 1 388.243 1.805 20 0 GDADMM COc1ccc(-c2nc(S(=O)(=O)[C@@H]3CCOC3)n[n-]2)cc1Br ZINC000905251584 659437092 /nfs/dbraw/zinc/43/70/92/659437092.db2.gz GPIZMFGTKPJKKG-SECBINFHSA-N -1 1 388.243 1.805 20 0 GDADMM CN(C)C[C@H]1COC2(CCCC2)CN1S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000907052733 659653962 /nfs/dbraw/zinc/65/39/62/659653962.db2.gz NNNNWKGBDNVPTM-ZDUSSCGKSA-N -1 1 388.511 1.710 20 0 GDADMM Cc1ccc(-c2nc(C(=O)N3CCSC[C@H]3c3nn[n-]n3)cs2)n1C ZINC000907477263 659759847 /nfs/dbraw/zinc/75/98/47/659759847.db2.gz UPDGSISHGPFODV-LBPRGKRZSA-N -1 1 375.483 1.900 20 0 GDADMM COc1nc(C)c(Br)cc1C(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907481093 659761890 /nfs/dbraw/zinc/76/18/90/659761890.db2.gz ZFXLTXITNBSJSI-SNVBAGLBSA-N -1 1 399.274 1.605 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-]Cc2nnc(C)[nH]2)c1F ZINC000907982100 659850038 /nfs/dbraw/zinc/85/00/38/659850038.db2.gz AOUMCVNUCHPBBA-UHFFFAOYSA-N -1 1 379.211 1.502 20 0 GDADMM COC(=O)[C@](C)(Cn1cccn1)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000908398205 659903988 /nfs/dbraw/zinc/90/39/88/659903988.db2.gz ZHIQWYVTJRFFQI-AWEZNQCLSA-N -1 1 377.344 1.211 20 0 GDADMM O=S(=O)([N-][C@@H]1CCc2ncc(Br)n2C1)c1c[nH]nc1Cl ZINC000908624680 659928017 /nfs/dbraw/zinc/92/80/17/659928017.db2.gz DOQIEPAOTUWBCA-ZCFIWIBFSA-N -1 1 380.655 1.315 20 0 GDADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)[C@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000910173687 659963980 /nfs/dbraw/zinc/96/39/80/659963980.db2.gz AIQNUPVSPBZUFG-XHDPSFHLSA-N -1 1 397.269 1.760 20 0 GDADMM O=C([O-])[C@@H]1CCCN(CC(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)C1 ZINC000911419621 660006835 /nfs/dbraw/zinc/00/68/35/660006835.db2.gz ICLXLBHNEJOCGH-ZWNOBZJWSA-N -1 1 375.252 1.940 20 0 GDADMM O=C(c1c([O-])cnc2c(Br)cccc21)N1[C@H](CO)CC[C@H]1CO ZINC000912228682 660029884 /nfs/dbraw/zinc/02/98/84/660029884.db2.gz XXFOTKZZLHVYNG-UWVGGRQHSA-N -1 1 381.226 1.661 20 0 GDADMM CSCC[C@H](NC(=O)[C@@H]1Cc2cc(Br)ccc2O1)c1nn[n-]n1 ZINC000912862004 660057161 /nfs/dbraw/zinc/05/71/61/660057161.db2.gz GOIPPIMJORAYQK-JQWIXIFHSA-N -1 1 398.286 1.876 20 0 GDADMM CO[C@H](C(=O)N1CCOC[C@H]1c1nn[n-]n1)c1ccc(Br)s1 ZINC000913493359 660082510 /nfs/dbraw/zinc/08/25/10/660082510.db2.gz QEBUXOOHSPBSQM-XVKPBYJWSA-N -1 1 388.247 1.311 20 0 GDADMM C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913498708 660083872 /nfs/dbraw/zinc/08/38/72/660083872.db2.gz RHXSNEKDRUEFJD-CABZTGNLSA-N -1 1 382.218 1.330 20 0 GDADMM O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CCC(c2nn[n-]n2)CC1 ZINC000913745336 660094997 /nfs/dbraw/zinc/09/49/97/660094997.db2.gz YXIAIMFQEPYMMW-ZDUSSCGKSA-N -1 1 378.230 1.672 20 0 GDADMM O=C(c1csc(I)n1)N1CCC(c2nn[n-]n2)CC1 ZINC000913745922 660095032 /nfs/dbraw/zinc/09/50/32/660095032.db2.gz HDPVXVXPVPBLIJ-UHFFFAOYSA-N -1 1 390.210 1.281 20 0 GDADMM COc1cc(Br)c(C(=O)N2CCC(c3nn[n-]n3)CC2)cc1OC ZINC000913745753 660095069 /nfs/dbraw/zinc/09/50/69/660095069.db2.gz CXSRAFACBYCLOM-UHFFFAOYSA-N -1 1 396.245 1.999 20 0 GDADMM O=C([C@@H]1COc2ccc(Br)cc21)N1CCC(c2nn[n-]n2)CC1 ZINC000913744457 660095118 /nfs/dbraw/zinc/09/51/18/660095118.db2.gz PDZTWWBXNFLCCP-GFCCVEGCSA-N -1 1 378.230 1.844 20 0 GDADMM COc1nn2cc(Br)cnc2c1S(=O)(=O)[N-][C@@H]1CCSC1 ZINC000914198994 660126542 /nfs/dbraw/zinc/12/65/42/660126542.db2.gz WBLOEVWFHFUBOE-MRVPVSSYSA-N -1 1 393.288 1.284 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-]CCc2nnc[nH]2)c1F ZINC000914231691 660129943 /nfs/dbraw/zinc/12/99/43/660129943.db2.gz QRBIURZYAYWKRU-UHFFFAOYSA-N -1 1 379.211 1.236 20 0 GDADMM COc1nn2cc(Br)cnc2c1S(=O)(=O)[N-]CCOC(C)C ZINC000914366778 660143003 /nfs/dbraw/zinc/14/30/03/660143003.db2.gz WRHZBSHQJREKRM-UHFFFAOYSA-N -1 1 393.263 1.204 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-]CCc2ccn(C)n2)c1F ZINC000914370463 660143437 /nfs/dbraw/zinc/14/34/37/660143437.db2.gz DUPKTHTYIPMISL-UHFFFAOYSA-N -1 1 392.250 1.851 20 0 GDADMM COc1nn2cc(Br)cnc2c1S(=O)(=O)[N-][C@@H]1CC[C@H](C)C1 ZINC000914412612 660148175 /nfs/dbraw/zinc/14/81/75/660148175.db2.gz XELWPSHODRZACY-WCBMZHEXSA-N -1 1 389.275 1.967 20 0 GDADMM COc1nn2cc(Br)cnc2c1S(=O)(=O)[N-]C1(C(C)C)CC1 ZINC000915899053 660180860 /nfs/dbraw/zinc/18/08/60/660180860.db2.gz VTXNWWCLMBAVRQ-UHFFFAOYSA-N -1 1 389.275 1.967 20 0 GDADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(C)C ZINC000386832998 677677476 /nfs/dbraw/zinc/67/74/76/677677476.db2.gz UQRSBHLQUVBAMD-NSHDSACASA-N -1 1 395.231 1.833 20 0 GDADMM CN1CCN(c2ccc(CNC(=O)N[C@H](C(=O)[O-])c3ccccc3)cn2)CC1 ZINC000780372083 939112151 /nfs/dbraw/zinc/11/21/51/939112151.db2.gz ABKYPZGUQCHWPW-SFHVURJKSA-N -1 1 383.452 1.459 20 0 GDADMM CC[C@@](NC(=O)NC[C@@H]1CN(C)CCN1C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000908985066 939365355 /nfs/dbraw/zinc/36/53/55/939365355.db2.gz JINVXDYADXPFPI-QAPCUYQASA-N -1 1 382.892 1.575 20 0 GDADMM CN1CCN(c2cc(C(=O)N[C@H](C(=O)[O-])c3ccc4c(c3)CCO4)ccn2)CC1 ZINC000909791578 939728777 /nfs/dbraw/zinc/72/87/77/939728777.db2.gz FWKLXZLJQLEHLW-IBGZPJMESA-N -1 1 396.447 1.324 20 0 GDADMM O=C([O-])[C@@H](C(=O)NCCCCN1CCN(c2ncccn2)CC1)C1CCCC1 ZINC000663062114 939851821 /nfs/dbraw/zinc/85/18/21/939851821.db2.gz RDPUPJRPYWJTOG-QGZVFWFLSA-N -1 1 389.500 1.386 20 0 GDADMM CN(C[C@@H]1CCCN(C(=O)c2cc(F)c[nH]2)C1)c1nccnc1-c1nnn[n-]1 ZINC001571258520 945355325 /nfs/dbraw/zinc/35/53/25/945355325.db2.gz UWJDDBWMMLGKQY-NSHDSACASA-N -1 1 385.407 1.113 20 0 GDADMM CN(C[C@@H]1CCCN(C(=O)c2cc(F)c[nH]2)C1)c1nccnc1-c1nn[n-]n1 ZINC001571258520 945355334 /nfs/dbraw/zinc/35/53/34/945355334.db2.gz UWJDDBWMMLGKQY-NSHDSACASA-N -1 1 385.407 1.113 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCCCN2C(=O)c2cc(F)c[nH]2)n1 ZINC001571258639 945360678 /nfs/dbraw/zinc/36/06/78/945360678.db2.gz XZTVIOKJSPQCCR-GFCCVEGCSA-N -1 1 385.407 1.539 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCCCN2C(=O)c2cc(F)c[nH]2)n1 ZINC001571258639 945360687 /nfs/dbraw/zinc/36/06/87/945360687.db2.gz XZTVIOKJSPQCCR-GFCCVEGCSA-N -1 1 385.407 1.539 20 0 GDADMM COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2CC(=O)[O-])cc1OC ZINC001610981408 970825584 /nfs/dbraw/zinc/82/55/84/970825584.db2.gz FYKXAKZGXGRHOI-UHFFFAOYSA-N -1 1 379.390 1.910 20 0 GDADMM O=C([O-])[C@]1(NS(=O)(=O)c2oc3ccccc3c2Br)CCOC1 ZINC001601724003 971046461 /nfs/dbraw/zinc/04/64/61/971046461.db2.gz QMYMBOVSYZRQPQ-ZDUSSCGKSA-N -1 1 390.211 1.717 20 0 GDADMM CCN1CCN(C2CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)C1=O ZINC000736572294 944845699 /nfs/dbraw/zinc/84/56/99/944845699.db2.gz XFZYMDGSBBGOLJ-UHFFFAOYSA-N -1 1 376.852 1.641 20 0 GDADMM CCN1CCN(C2CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)C1=O ZINC000736572294 944845703 /nfs/dbraw/zinc/84/57/03/944845703.db2.gz XFZYMDGSBBGOLJ-UHFFFAOYSA-N -1 1 376.852 1.641 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1cncs1 ZINC001571261646 945429958 /nfs/dbraw/zinc/42/99/58/945429958.db2.gz HSULISIYHSNEPZ-JQWIXIFHSA-N -1 1 385.457 1.147 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1cncs1 ZINC001571261646 945429964 /nfs/dbraw/zinc/42/99/64/945429964.db2.gz HSULISIYHSNEPZ-JQWIXIFHSA-N -1 1 385.457 1.147 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571261852 945431954 /nfs/dbraw/zinc/43/19/54/945431954.db2.gz KMSRTUHAXDCKHH-SNVBAGLBSA-N -1 1 385.457 1.245 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571261852 945431961 /nfs/dbraw/zinc/43/19/61/945431961.db2.gz KMSRTUHAXDCKHH-SNVBAGLBSA-N -1 1 385.457 1.245 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H]2CNC(=O)c2cncs2)n1 ZINC001571262201 945434930 /nfs/dbraw/zinc/43/49/30/945434930.db2.gz OAKJLGKGKVIMSJ-SNVBAGLBSA-N -1 1 385.457 1.074 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H]2CNC(=O)c2cncs2)n1 ZINC001571262201 945434934 /nfs/dbraw/zinc/43/49/34/945434934.db2.gz OAKJLGKGKVIMSJ-SNVBAGLBSA-N -1 1 385.457 1.074 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(C)(NC(=O)c3ccns3)CC2)n1 ZINC001571262321 945435185 /nfs/dbraw/zinc/43/51/85/945435185.db2.gz PAVXFZBBTWWWMV-UHFFFAOYSA-N -1 1 385.457 1.211 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(C)(NC(=O)c3ccns3)CC2)n1 ZINC001571262321 945435200 /nfs/dbraw/zinc/43/52/00/945435200.db2.gz PAVXFZBBTWWWMV-UHFFFAOYSA-N -1 1 385.457 1.211 20 0 GDADMM CN(C[C@H]1CCCCN1C(=O)c1ccns1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571262108 945435541 /nfs/dbraw/zinc/43/55/41/945435541.db2.gz NGBYBBOFZIGYJX-LLVKDONJSA-N -1 1 385.457 1.244 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571262509 945437458 /nfs/dbraw/zinc/43/74/58/945437458.db2.gz SAYIEMNSOOJVOP-SNVBAGLBSA-N -1 1 385.457 1.245 20 0 GDADMM C[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)Cc1cncs1 ZINC001571262763 945442251 /nfs/dbraw/zinc/44/22/51/945442251.db2.gz XCPOTOWJWXFKKF-QWRGUYRKSA-N -1 1 385.457 1.147 20 0 GDADMM C[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)Cc1cncs1 ZINC001571262763 945442258 /nfs/dbraw/zinc/44/22/58/945442258.db2.gz XCPOTOWJWXFKKF-QWRGUYRKSA-N -1 1 385.457 1.147 20 0 GDADMM O=C(Cc1cscn1)N[C@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571263368 945457608 /nfs/dbraw/zinc/45/76/08/945457608.db2.gz NYGWMJIHDLDFJY-QWRGUYRKSA-N -1 1 385.457 1.053 20 0 GDADMM O=C(Cc1cscn1)N[C@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571263368 945457615 /nfs/dbraw/zinc/45/76/15/945457615.db2.gz NYGWMJIHDLDFJY-QWRGUYRKSA-N -1 1 385.457 1.053 20 0 GDADMM Cc1ncsc1C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571263363 945457628 /nfs/dbraw/zinc/45/76/28/945457628.db2.gz NWDDSCBYCXTNIX-NSHDSACASA-N -1 1 385.457 1.211 20 0 GDADMM Cc1ncsc1C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571263363 945457635 /nfs/dbraw/zinc/45/76/35/945457635.db2.gz NWDDSCBYCXTNIX-NSHDSACASA-N -1 1 385.457 1.211 20 0 GDADMM O=C(CCc1nccs1)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571263594 945462207 /nfs/dbraw/zinc/46/22/07/945462207.db2.gz URQSGGHZTONBCX-LLVKDONJSA-N -1 1 385.457 1.149 20 0 GDADMM O=C(CCc1nccs1)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571263594 945462215 /nfs/dbraw/zinc/46/22/15/945462215.db2.gz URQSGGHZTONBCX-LLVKDONJSA-N -1 1 385.457 1.149 20 0 GDADMM Cc1nc(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)sc1C ZINC001571263846 945469506 /nfs/dbraw/zinc/46/95/06/945469506.db2.gz YDVBNYRIJBZPAT-NSHDSACASA-N -1 1 385.457 1.129 20 0 GDADMM Cc1nc(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)sc1C ZINC001571263846 945469510 /nfs/dbraw/zinc/46/95/10/945469510.db2.gz YDVBNYRIJBZPAT-NSHDSACASA-N -1 1 385.457 1.129 20 0 GDADMM Cc1cc(C(=O)N(C)C2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)c(C)n1C ZINC001571265133 945501896 /nfs/dbraw/zinc/50/18/96/945501896.db2.gz DNOMYIYGPCBLOX-UHFFFAOYSA-N -1 1 385.497 1.840 20 0 GDADMM CO[C@@H](C(=O)N1CC[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1)C(C)C ZINC001571265853 945522832 /nfs/dbraw/zinc/52/28/32/945522832.db2.gz QREKZMWTGUBJCA-RKDXNWHRSA-N -1 1 385.881 1.660 20 0 GDADMM CO[C@@H](C(=O)N1CC[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1)C(C)C ZINC001571265853 945522839 /nfs/dbraw/zinc/52/28/39/945522839.db2.gz QREKZMWTGUBJCA-RKDXNWHRSA-N -1 1 385.881 1.660 20 0 GDADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N[C@H]1CCN(c2ccc(F)cc2F)C1 ZINC001571267023 945559604 /nfs/dbraw/zinc/55/96/04/945559604.db2.gz GNDFJEUHDVDPMG-LBPRGKRZSA-N -1 1 386.366 1.940 20 0 GDADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N[C@H]1CCN(c2ccc(F)cc2F)C1 ZINC001571267023 945559619 /nfs/dbraw/zinc/55/96/19/945559619.db2.gz GNDFJEUHDVDPMG-LBPRGKRZSA-N -1 1 386.366 1.940 20 0 GDADMM O=C(N1CC[C@H]2[C@H](CCN2c2nccnc2-c2nnn[n-]2)C1)C1(CF)CCC1 ZINC001571269312 945617543 /nfs/dbraw/zinc/61/75/43/945617543.db2.gz VCEUZUPHZDWPKN-OLZOCXBDSA-N -1 1 386.435 1.224 20 0 GDADMM O=C(N1CC[C@H]2[C@H](CCN2c2nccnc2-c2nn[n-]n2)C1)C1(CF)CCC1 ZINC001571269312 945617545 /nfs/dbraw/zinc/61/75/45/945617545.db2.gz VCEUZUPHZDWPKN-OLZOCXBDSA-N -1 1 386.435 1.224 20 0 GDADMM O=C(c1csnn1)N1CCCCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571269854 945625357 /nfs/dbraw/zinc/62/53/57/945625357.db2.gz FHGPZIVULGFEDD-JTQLQIEISA-N -1 1 386.445 1.005 20 0 GDADMM O=C(c1csnn1)N1CCCCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571269854 945625359 /nfs/dbraw/zinc/62/53/59/945625359.db2.gz FHGPZIVULGFEDD-JTQLQIEISA-N -1 1 386.445 1.005 20 0 GDADMM O=C(CCC1CCOCC1)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571272405 945662759 /nfs/dbraw/zinc/66/27/59/945662759.db2.gz CZUOLWPGNAZVDD-CQSZACIVSA-N -1 1 386.460 1.266 20 0 GDADMM O=C(CCC1CCOCC1)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571272405 945662768 /nfs/dbraw/zinc/66/27/68/945662768.db2.gz CZUOLWPGNAZVDD-CQSZACIVSA-N -1 1 386.460 1.266 20 0 GDADMM Cc1cc(C)c(C(=O)N(C)[C@H]2CCN(c3snc(C)c3-c3nn[n-]n3)C2)[nH]1 ZINC001571272640 945667447 /nfs/dbraw/zinc/66/74/47/945667447.db2.gz XUMVYWHBXOWTCO-LBPRGKRZSA-N -1 1 386.485 1.927 20 0 GDADMM Cc1nsc(N(C)C[C@@H]2CCCN2C(=O)c2cccn2C)c1-c1nn[n-]n1 ZINC001571272776 945671354 /nfs/dbraw/zinc/67/13/54/945671354.db2.gz ZSZUORORXCQZQK-LBPRGKRZSA-N -1 1 386.485 1.711 20 0 GDADMM O=C(C[C@H]1CCCOC1)N1CC[C@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001571272990 945675601 /nfs/dbraw/zinc/67/56/01/945675601.db2.gz MHVLRUSOWLGMNE-UONOGXRCSA-N -1 1 386.460 1.124 20 0 GDADMM O=C(C[C@H]1CCCOC1)N1CC[C@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001571272990 945675607 /nfs/dbraw/zinc/67/56/07/945675607.db2.gz MHVLRUSOWLGMNE-UONOGXRCSA-N -1 1 386.460 1.124 20 0 GDADMM CO[C@@H](C(=O)N1C[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C(C)(C)C1)C1CC1 ZINC001571273065 945677737 /nfs/dbraw/zinc/67/77/37/945677737.db2.gz OFZOQZUXVHAYHE-ZIAGYGMSSA-N -1 1 386.460 1.039 20 0 GDADMM CO[C@@H](C(=O)N1C[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C(C)(C)C1)C1CC1 ZINC001571273065 945677743 /nfs/dbraw/zinc/67/77/43/945677743.db2.gz OFZOQZUXVHAYHE-ZIAGYGMSSA-N -1 1 386.460 1.039 20 0 GDADMM O=S(=O)(N[C@H](CO)c1c(F)cccc1F)c1ccsc1-c1nn[n-]n1 ZINC001571275519 945707550 /nfs/dbraw/zinc/70/75/50/945707550.db2.gz VMCKDOHQZJFKSE-SECBINFHSA-N -1 1 387.393 1.218 20 0 GDADMM CCn1c(=O)[nH]c2cc(C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])ccc2c1=O ZINC000821563931 945716098 /nfs/dbraw/zinc/71/60/98/945716098.db2.gz MSWPWDNXGQSQSV-UHFFFAOYSA-N -1 1 393.363 1.260 20 0 GDADMM CCn1c(=O)[nH]c2cc(C(=O)Nc3ncc(-c4nnn[n-]4)s3)ccc2c1=O ZINC000821564178 945717472 /nfs/dbraw/zinc/71/74/72/945717472.db2.gz WBPFHXWSWQPEDG-UHFFFAOYSA-N -1 1 384.381 1.011 20 0 GDADMM CCn1c(=O)[nH]c2cc(C(=O)Nc3ncc(-c4nn[n-]n4)s3)ccc2c1=O ZINC000821564178 945717477 /nfs/dbraw/zinc/71/74/77/945717477.db2.gz WBPFHXWSWQPEDG-UHFFFAOYSA-N -1 1 384.381 1.011 20 0 GDADMM CC1(C)CCC[C@@H]1C(=O)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571275932 945717616 /nfs/dbraw/zinc/71/76/16/945717616.db2.gz FWGYXRVZCKMRLZ-CHWSQXEVSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CCC[C@@H]1C(=O)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571275932 945717622 /nfs/dbraw/zinc/71/76/22/945717622.db2.gz FWGYXRVZCKMRLZ-CHWSQXEVSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CN(C(=O)COC2CCCC2)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571277508 945743304 /nfs/dbraw/zinc/74/33/04/945743304.db2.gz LCGFKQBSOFGDNF-AWEZNQCLSA-N -1 1 386.460 1.265 20 0 GDADMM CC1(C)CN(C(=O)COC2CCCC2)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571277508 945743310 /nfs/dbraw/zinc/74/33/10/945743310.db2.gz LCGFKQBSOFGDNF-AWEZNQCLSA-N -1 1 386.460 1.265 20 0 GDADMM CC1(C(=O)N[C@H]2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)CCOCC1 ZINC001571277637 945745140 /nfs/dbraw/zinc/74/51/40/945745140.db2.gz MQHSZJNOHSBEOV-OLZOCXBDSA-N -1 1 386.460 1.170 20 0 GDADMM CC1(C(=O)N[C@H]2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)CCOCC1 ZINC001571277637 945745145 /nfs/dbraw/zinc/74/51/45/945745145.db2.gz MQHSZJNOHSBEOV-OLZOCXBDSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H]1CC[C@@H](CCC(=O)N2CCCN(c3ccc(-c4nnn[n-]4)nn3)CC2)O1 ZINC001571279667 945784048 /nfs/dbraw/zinc/78/40/48/945784048.db2.gz XULWVCMXVRVTDC-KGLIPLIRSA-N -1 1 386.460 1.043 20 0 GDADMM C[C@@H]1CC[C@@H](CCC(=O)N2CCCN(c3ccc(-c4nn[n-]n4)nn3)CC2)O1 ZINC001571279667 945784057 /nfs/dbraw/zinc/78/40/57/945784057.db2.gz XULWVCMXVRVTDC-KGLIPLIRSA-N -1 1 386.460 1.043 20 0 GDADMM Cc1nsc(NC2(C)CCN(C(=O)Cn3cccn3)CC2)c1-c1nn[n-]n1 ZINC001571281410 945803866 /nfs/dbraw/zinc/80/38/66/945803866.db2.gz IFJCJCHCYDGSOQ-UHFFFAOYSA-N -1 1 387.473 1.321 20 0 GDADMM Cc1c[nH]c(C(=O)N2C[C@H](C)[C@@H](CNc3snc(C)c3-c3nn[n-]n3)C2)n1 ZINC001571281579 945805944 /nfs/dbraw/zinc/80/59/44/945805944.db2.gz IYBCNBATGDXITO-KWQFWETISA-N -1 1 387.473 1.483 20 0 GDADMM Cc1nsc(N2CCN(C(=O)c3cnn(C(C)C)c3)CC2)c1-c1nn[n-]n1 ZINC001571281615 945808018 /nfs/dbraw/zinc/80/80/18/945808018.db2.gz KBYFWVCSMWKGJQ-UHFFFAOYSA-N -1 1 387.473 1.371 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)c2cc(Cl)c[nH]2)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571284568 945902402 /nfs/dbraw/zinc/90/24/02/945902402.db2.gz QVUSCXFVDXSULV-CMPLNLGQSA-N -1 1 387.835 1.426 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)OCC[C@H]2CCOC2=O)c1-c1nnn[n-]1 ZINC000821988641 945913963 /nfs/dbraw/zinc/91/39/63/945913963.db2.gz FXGUKLZFCWCATN-SNVBAGLBSA-N -1 1 389.437 1.971 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)OCC[C@H]2CCOC2=O)c1-c1nn[n-]n1 ZINC000821988641 945913970 /nfs/dbraw/zinc/91/39/70/945913970.db2.gz FXGUKLZFCWCATN-SNVBAGLBSA-N -1 1 389.437 1.971 20 0 GDADMM Cc1nsc(N[C@H]2CCN(C(=O)c3cncc(F)c3)[C@H]2C)c1-c1nn[n-]n1 ZINC001571286992 945964901 /nfs/dbraw/zinc/96/49/01/945964901.db2.gz XPMZJTRNGXZOQF-CABZTGNLSA-N -1 1 388.432 1.881 20 0 GDADMM COc1ncc(NC(=O)N2CCC(NC(=O)C(C)C)CC2)cc1-c1nn[n-]n1 ZINC001571287004 945966608 /nfs/dbraw/zinc/96/66/08/945966608.db2.gz XUJNXOHRJHJNNY-UHFFFAOYSA-N -1 1 388.432 1.039 20 0 GDADMM O=C(N[C@@H]1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1)c1ccc(F)s1 ZINC001571287405 945972032 /nfs/dbraw/zinc/97/20/32/945972032.db2.gz DAZOVATVHWCBOP-NXEZZACHSA-N -1 1 388.432 1.868 20 0 GDADMM O=C(N[C@@H]1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1)c1ccc(F)s1 ZINC001571287405 945972047 /nfs/dbraw/zinc/97/20/47/945972047.db2.gz DAZOVATVHWCBOP-NXEZZACHSA-N -1 1 388.432 1.868 20 0 GDADMM O=C(N1CCC(CCNc2cnc(-c3nnn[n-]3)cn2)CC1)C1(F)CCCC1 ZINC001571289432 946005994 /nfs/dbraw/zinc/00/59/94/946005994.db2.gz DDZDVGDSQWCFQP-UHFFFAOYSA-N -1 1 388.451 1.980 20 0 GDADMM O=C(N1CCC(CCNc2cnc(-c3nn[n-]n3)cn2)CC1)C1(F)CCCC1 ZINC001571289432 946006012 /nfs/dbraw/zinc/00/60/12/946006012.db2.gz DDZDVGDSQWCFQP-UHFFFAOYSA-N -1 1 388.451 1.980 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)C3CCC(F)CC3)C2)n1 ZINC001571289419 946007677 /nfs/dbraw/zinc/00/76/77/946007677.db2.gz CRUJNYQPCYQVIJ-BPCQOVAHSA-N -1 1 388.451 1.442 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)C3CCC(F)CC3)C2)n1 ZINC001571289419 946007682 /nfs/dbraw/zinc/00/76/82/946007682.db2.gz CRUJNYQPCYQVIJ-BPCQOVAHSA-N -1 1 388.451 1.442 20 0 GDADMM CCc1nc(C(=O)N[C@H]2C[C@H](Nc3snc(C)c3-c3nn[n-]n3)C2)c(C)o1 ZINC001571289515 946010266 /nfs/dbraw/zinc/01/02/66/946010266.db2.gz GKSQCAHWUHCQAW-MGCOHNPYSA-N -1 1 388.457 1.863 20 0 GDADMM C[C@H](C(=O)N1CCC[C@](CO)(Nc2cncc(-c3nnn[n-]3)n2)C1)C(C)(C)C ZINC001571289950 946022313 /nfs/dbraw/zinc/02/23/13/946022313.db2.gz QKQPKEDHKOLRNF-XIKOKIGWSA-N -1 1 388.476 1.104 20 0 GDADMM C[C@H](C(=O)N1CCC[C@](CO)(Nc2cncc(-c3nn[n-]n3)n2)C1)C(C)(C)C ZINC001571289950 946022326 /nfs/dbraw/zinc/02/23/26/946022326.db2.gz QKQPKEDHKOLRNF-XIKOKIGWSA-N -1 1 388.476 1.104 20 0 GDADMM Cc1nsc(N[C@@H]2CN(C(=O)c3ncoc3C)CC2(C)C)c1-c1nn[n-]n1 ZINC001571289908 946023879 /nfs/dbraw/zinc/02/38/79/946023879.db2.gz PLGSCKUHCAPKAF-SNVBAGLBSA-N -1 1 388.457 1.891 20 0 GDADMM Cc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)c(N2CCOCC2)c1 ZINC000822238895 946024980 /nfs/dbraw/zinc/02/49/80/946024980.db2.gz YVRWSHLMFCQUQF-UHFFFAOYSA-N -1 1 379.424 1.337 20 0 GDADMM Cc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)c(N2CCOCC2)c1 ZINC000822238895 946024990 /nfs/dbraw/zinc/02/49/90/946024990.db2.gz YVRWSHLMFCQUQF-UHFFFAOYSA-N -1 1 379.424 1.337 20 0 GDADMM CO[C@@H](C(=O)N1CCC[C@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1)C(C)C ZINC001571289989 946025891 /nfs/dbraw/zinc/02/58/91/946025891.db2.gz RXAPXIAWMQAIHW-CZUORRHYSA-N -1 1 388.476 1.003 20 0 GDADMM CO[C@@H](C(=O)N1CCC[C@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1)C(C)C ZINC001571289989 946025901 /nfs/dbraw/zinc/02/59/01/946025901.db2.gz RXAPXIAWMQAIHW-CZUORRHYSA-N -1 1 388.476 1.003 20 0 GDADMM CCCc1cc(C(=O)N[C@H]2CCN(c3snc(C)c3-c3nn[n-]n3)C2)no1 ZINC001571290123 946027580 /nfs/dbraw/zinc/02/75/80/946027580.db2.gz VQBWZLBDNUAYIF-JTQLQIEISA-N -1 1 388.457 1.581 20 0 GDADMM CCc1nc(NC[C@@H]2CCCN2C(=O)[C@H](OC)C(C)C)cc(-c2nnn[n-]2)n1 ZINC001571290085 946028819 /nfs/dbraw/zinc/02/88/19/946028819.db2.gz VBMCDYZGOWBYEO-BLLLJJGKSA-N -1 1 388.476 1.293 20 0 GDADMM CCc1nc(NC[C@@H]2CCCN2C(=O)[C@H](OC)C(C)C)cc(-c2nn[n-]n2)n1 ZINC001571290085 946028833 /nfs/dbraw/zinc/02/88/33/946028833.db2.gz VBMCDYZGOWBYEO-BLLLJJGKSA-N -1 1 388.476 1.293 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cc(Cl)ccc1F ZINC001571290638 946049715 /nfs/dbraw/zinc/04/97/15/946049715.db2.gz KQMSPIUFFWPIEX-AOOOYVTPSA-N -1 1 388.794 1.822 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cc(Cl)ccc1F ZINC001571290638 946049729 /nfs/dbraw/zinc/04/97/29/946049729.db2.gz KQMSPIUFFWPIEX-AOOOYVTPSA-N -1 1 388.794 1.822 20 0 GDADMM O=C(c1ccc(Cl)c(F)c1)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571290717 946052500 /nfs/dbraw/zinc/05/25/00/946052500.db2.gz NCPPPHVSPBCFLF-SNVBAGLBSA-N -1 1 388.794 1.776 20 0 GDADMM O=C(c1ccc(Cl)c(F)c1)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571290717 946052512 /nfs/dbraw/zinc/05/25/12/946052512.db2.gz NCPPPHVSPBCFLF-SNVBAGLBSA-N -1 1 388.794 1.776 20 0 GDADMM C[C@H]1CN(C(=O)c2ccoc2Cl)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571290925 946058648 /nfs/dbraw/zinc/05/86/48/946058648.db2.gz UVTBBJMERAHIGR-UWVGGRQHSA-N -1 1 388.819 1.723 20 0 GDADMM C[C@H]1CN(C(=O)c2ccoc2Cl)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571290925 946058659 /nfs/dbraw/zinc/05/86/59/946058659.db2.gz UVTBBJMERAHIGR-UWVGGRQHSA-N -1 1 388.819 1.723 20 0 GDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCc1ccc(O)c(Br)c1 ZINC001571291046 946065670 /nfs/dbraw/zinc/06/56/70/946065670.db2.gz ZGSRISUOJHSEGA-UHFFFAOYSA-N -1 1 389.213 1.589 20 0 GDADMM Cc1nsc(NCC[C@@H]2CCN(C(=O)C3=CCOCC3)C2)c1-c1nn[n-]n1 ZINC001571295009 946150682 /nfs/dbraw/zinc/15/06/82/946150682.db2.gz NJTRRHQYKSYHPA-GFCCVEGCSA-N -1 1 389.485 1.629 20 0 GDADMM Cc1nsc(NC2CC(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)c1-c1nn[n-]n1 ZINC001571295068 946152940 /nfs/dbraw/zinc/15/29/40/946152940.db2.gz ONGDJVIYKXUOLW-ABLIHOLZSA-N -1 1 389.485 1.506 20 0 GDADMM CCC(=O)N1CCc2sc(CNc3snc(C)c3-c3nn[n-]n3)nc2C1 ZINC001571298449 946215528 /nfs/dbraw/zinc/21/55/28/946215528.db2.gz ODSIZMTYQXJMBS-UHFFFAOYSA-N -1 1 390.498 1.995 20 0 GDADMM O=C([C@H]1CC12CCCC2)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000822916936 946218266 /nfs/dbraw/zinc/21/82/66/946218266.db2.gz IYZLUYPMYBCVDU-CYBMUJFWSA-N -1 1 383.456 1.961 20 0 GDADMM O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822959282 946236698 /nfs/dbraw/zinc/23/66/98/946236698.db2.gz WSJANFXYDDGVBH-UHFFFAOYSA-N -1 1 392.375 1.587 20 0 GDADMM O=C(N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)[C@H]1C[C@@H]1c1ccccc1 ZINC001571299080 946237468 /nfs/dbraw/zinc/23/74/68/946237468.db2.gz UHWQKYJHNMEKBQ-OAGGEKHMSA-N -1 1 390.451 1.545 20 0 GDADMM O=C(N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)[C@H]1C[C@@H]1c1ccccc1 ZINC001571299080 946237475 /nfs/dbraw/zinc/23/74/75/946237475.db2.gz UHWQKYJHNMEKBQ-OAGGEKHMSA-N -1 1 390.451 1.545 20 0 GDADMM O=C(c1cccc(C2CC2)c1)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571299607 946256632 /nfs/dbraw/zinc/25/66/32/946256632.db2.gz YJVWQANWGQWIIW-MRXNPFEDSA-N -1 1 390.451 1.673 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)NCCc1c(F)cccc1F ZINC000823026732 946277566 /nfs/dbraw/zinc/27/75/66/946277566.db2.gz DELLKGWDTJBGAD-UHFFFAOYSA-N -1 1 393.375 1.722 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)NCCc1c(F)cccc1F ZINC000823026732 946277577 /nfs/dbraw/zinc/27/75/77/946277577.db2.gz DELLKGWDTJBGAD-UHFFFAOYSA-N -1 1 393.375 1.722 20 0 GDADMM Cc1cncc(C(=O)N2CCC[C@H]3[C@@H]2CCN3c2nccnc2-c2nnn[n-]2)c1 ZINC001571302614 946308624 /nfs/dbraw/zinc/30/86/24/946308624.db2.gz CTEZXAZRXCTBLI-GJZGRUSLSA-N -1 1 391.439 1.244 20 0 GDADMM Cc1cncc(C(=O)N2CCC[C@H]3[C@@H]2CCN3c2nccnc2-c2nn[n-]n2)c1 ZINC001571302614 946308633 /nfs/dbraw/zinc/30/86/33/946308633.db2.gz CTEZXAZRXCTBLI-GJZGRUSLSA-N -1 1 391.439 1.244 20 0 GDADMM Cc1nsc(N[C@@H]2CCC[C@H](NC(=O)c3n[nH]cc3F)C2)c1-c1nn[n-]n1 ZINC001571303436 946337231 /nfs/dbraw/zinc/33/72/31/946337231.db2.gz LSYAFNGUSPQYTQ-DTWKUNHWSA-N -1 1 391.436 1.647 20 0 GDADMM O=C(NC1CC(CNc2cncc(-c3nnn[n-]3)n2)C1)C1(c2ccccn2)CC1 ZINC001571303754 946348774 /nfs/dbraw/zinc/34/87/74/946348774.db2.gz XDJCZQGKFFCIKY-UHFFFAOYSA-N -1 1 391.439 1.090 20 0 GDADMM O=C(NC1CC(CNc2cncc(-c3nn[n-]n3)n2)C1)C1(c2ccccn2)CC1 ZINC001571303754 946348790 /nfs/dbraw/zinc/34/87/90/946348790.db2.gz XDJCZQGKFFCIKY-UHFFFAOYSA-N -1 1 391.439 1.090 20 0 GDADMM Cc1nsc(NC2CCN(C(=O)CC[C@@H]3CCCO3)CC2)c1-c1nn[n-]n1 ZINC001571305698 946373931 /nfs/dbraw/zinc/37/39/31/946373931.db2.gz KCXZLBZXFNILNB-ZDUSSCGKSA-N -1 1 391.501 1.994 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CC[C@H](c2cnccn2)C1 ZINC001571306095 946387442 /nfs/dbraw/zinc/38/74/42/946387442.db2.gz PLGKWQFBYYHDPI-JTQLQIEISA-N -1 1 391.844 1.488 20 0 GDADMM O=C(Cc1ccccc1)N1CCC[C@H](C(=O)Nc2ncc(-c3nnn[n-]3)s2)C1 ZINC000823379982 946419369 /nfs/dbraw/zinc/41/93/69/946419369.db2.gz NCVWMVBCBHQEGP-ZDUSSCGKSA-N -1 1 397.464 1.743 20 0 GDADMM O=C(Cc1ccccc1)N1CCC[C@H](C(=O)Nc2ncc(-c3nn[n-]n3)s2)C1 ZINC000823379982 946419377 /nfs/dbraw/zinc/41/93/77/946419377.db2.gz NCVWMVBCBHQEGP-ZDUSSCGKSA-N -1 1 397.464 1.743 20 0 GDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000823379666 946419460 /nfs/dbraw/zinc/41/94/60/946419460.db2.gz CTOMWTLWALUSGE-ZDUSSCGKSA-N -1 1 389.416 1.474 20 0 GDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000823379666 946419469 /nfs/dbraw/zinc/41/94/69/946419469.db2.gz CTOMWTLWALUSGE-ZDUSSCGKSA-N -1 1 389.416 1.474 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2CC(F)(F)C2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571307816 946427556 /nfs/dbraw/zinc/42/75/56/946427556.db2.gz HKVKKVQRGRABGF-ZWNOBZJWSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2CC(F)(F)C2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571307816 946427563 /nfs/dbraw/zinc/42/75/63/946427563.db2.gz HKVKKVQRGRABGF-ZWNOBZJWSA-N -1 1 392.414 1.741 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCCN2C(=O)[C@@H]2CCC(F)(F)C2)n1 ZINC001571308524 946434066 /nfs/dbraw/zinc/43/40/66/946434066.db2.gz PZLCQGUOOQXKPB-NEPJUHHUSA-N -1 1 392.414 1.803 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCCN2C(=O)[C@@H]2CCC(F)(F)C2)n1 ZINC001571308524 946434075 /nfs/dbraw/zinc/43/40/75/946434075.db2.gz PZLCQGUOOQXKPB-NEPJUHHUSA-N -1 1 392.414 1.803 20 0 GDADMM CC1(C)C[C@@H]1C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCC1(F)F ZINC001571308735 946436139 /nfs/dbraw/zinc/43/61/39/946436139.db2.gz SPSZKWLJLLAFMT-GHMZBOCLSA-N -1 1 392.414 1.281 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)C3(C(F)F)CC3)C[C@H]2C)n1 ZINC001571308566 946436440 /nfs/dbraw/zinc/43/64/40/946436440.db2.gz RCDJSXBQSDBGFN-KOLCDFICSA-N -1 1 392.414 1.659 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)C3(C(F)F)CC3)C[C@H]2C)n1 ZINC001571308566 946436445 /nfs/dbraw/zinc/43/64/45/946436445.db2.gz RCDJSXBQSDBGFN-KOLCDFICSA-N -1 1 392.414 1.659 20 0 GDADMM C[C@@H]1CN(C(=O)CC2CC(F)(F)C2)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571309025 946439403 /nfs/dbraw/zinc/43/94/03/946439403.db2.gz WBHWHJVOLYCEHT-PWSUYJOCSA-N -1 1 392.414 1.163 20 0 GDADMM C[C@@H]1CN(C(=O)CC2CC(F)(F)C2)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571309026 946440579 /nfs/dbraw/zinc/44/05/79/946440579.db2.gz WBHWHJVOLYCEHT-ZYHUDNBSSA-N -1 1 392.414 1.163 20 0 GDADMM C[C@H]1Cc2cccc(C(=O)N[C@H]3C[C@@H](Nc4cncc(-c5nnn[n-]5)n4)C3)c2O1 ZINC001571309622 946448310 /nfs/dbraw/zinc/44/83/10/946448310.db2.gz FVIZMSIIMIFNRB-WCFLWFBJSA-N -1 1 392.423 1.353 20 0 GDADMM C[C@H]1Cc2cccc(C(=O)N[C@H]3C[C@@H](Nc4cncc(-c5nn[n-]n5)n4)C3)c2O1 ZINC001571309622 946448315 /nfs/dbraw/zinc/44/83/15/946448315.db2.gz FVIZMSIIMIFNRB-WCFLWFBJSA-N -1 1 392.423 1.353 20 0 GDADMM CN(C(=O)c1ccc2c(c1)COC2)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571309654 946451793 /nfs/dbraw/zinc/45/17/93/946451793.db2.gz GXHOSJDUQAAWQU-HNNXBMFYSA-N -1 1 392.423 1.038 20 0 GDADMM CN(C(=O)c1ccc2c(c1)COC2)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571309654 946451797 /nfs/dbraw/zinc/45/17/97/946451797.db2.gz GXHOSJDUQAAWQU-HNNXBMFYSA-N -1 1 392.423 1.038 20 0 GDADMM C[C@H]1CN(C(=O)C2C=CC=CC=C2)CC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571313176 946513388 /nfs/dbraw/zinc/51/33/88/946513388.db2.gz JDXYWCJMQVPFQG-HOCLYGCPSA-N -1 1 392.467 1.852 20 0 GDADMM C[C@H]1CN(C(=O)C2C=CC=CC=C2)CC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571313176 946513395 /nfs/dbraw/zinc/51/33/95/946513395.db2.gz JDXYWCJMQVPFQG-HOCLYGCPSA-N -1 1 392.467 1.852 20 0 GDADMM CCCc1ccccc1C(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571313298 946518118 /nfs/dbraw/zinc/51/81/18/946518118.db2.gz MBSYRRUCCPYEJQ-UHFFFAOYSA-N -1 1 392.467 1.962 20 0 GDADMM Cc1ccccc1[C@@H](C)C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571316616 946582721 /nfs/dbraw/zinc/58/27/21/946582721.db2.gz ICORNJBELOFQND-HUUCEWRRSA-N -1 1 392.467 1.854 20 0 GDADMM Cc1ccccc1[C@@H](C)C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571316616 946582728 /nfs/dbraw/zinc/58/27/28/946582728.db2.gz ICORNJBELOFQND-HUUCEWRRSA-N -1 1 392.467 1.854 20 0 GDADMM CN(C[C@H]1CCN(C(=O)c2cc[nH]c2)C1)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001571317386 946608775 /nfs/dbraw/zinc/60/87/75/946608775.db2.gz FUTUDKSANYBJMO-SECBINFHSA-N -1 1 392.876 1.903 20 0 GDADMM CC(=O)Nc1cc(C(=O)Nc2ncc3c(c2-c2nn[n-]n2)COCC3)ccc1F ZINC001573543305 946807370 /nfs/dbraw/zinc/80/73/70/946807370.db2.gz VKXAJUFNKIKKLF-UHFFFAOYSA-N -1 1 397.370 1.684 20 0 GDADMM CC(=O)Nc1ccc(Cl)c(C(=O)NCc2nc(-c3nnn[n-]3)cs2)c1 ZINC001573547340 946833711 /nfs/dbraw/zinc/83/37/11/946833711.db2.gz KNUCEEIOIIQBRZ-UHFFFAOYSA-N -1 1 377.817 1.865 20 0 GDADMM CC(=O)Nc1ccc(Cl)c(C(=O)NCc2nc(-c3nn[n-]n3)cs2)c1 ZINC001573547340 946833724 /nfs/dbraw/zinc/83/37/24/946833724.db2.gz KNUCEEIOIIQBRZ-UHFFFAOYSA-N -1 1 377.817 1.865 20 0 GDADMM CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)Cc2noc(C)c2-c2nnn[n-]2)C1 ZINC000825284865 947144578 /nfs/dbraw/zinc/14/45/78/947144578.db2.gz AURPDPWRYQHTBC-YPMHNXCESA-N -1 1 389.460 1.249 20 0 GDADMM CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)Cc2noc(C)c2-c2nn[n-]n2)C1 ZINC000825284865 947144585 /nfs/dbraw/zinc/14/45/85/947144585.db2.gz AURPDPWRYQHTBC-YPMHNXCESA-N -1 1 389.460 1.249 20 0 GDADMM CCN1C[C@H](CN(C)C(=O)Cc2noc(C)c2-c2nnn[n-]2)Oc2ccccc21 ZINC000825452120 947195141 /nfs/dbraw/zinc/19/51/41/947195141.db2.gz NRIUCKQVGSTACO-ZDUSSCGKSA-N -1 1 397.439 1.452 20 0 GDADMM CCN1C[C@H](CN(C)C(=O)Cc2noc(C)c2-c2nn[n-]n2)Oc2ccccc21 ZINC000825452120 947195147 /nfs/dbraw/zinc/19/51/47/947195147.db2.gz NRIUCKQVGSTACO-ZDUSSCGKSA-N -1 1 397.439 1.452 20 0 GDADMM C=C/C(C)=C/CC(=O)N[C@@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)C[C@@H]1O ZINC001573317215 947293891 /nfs/dbraw/zinc/29/38/91/947293891.db2.gz MRFZAEWMSWDQNA-PIOFTHJTSA-N -1 1 395.876 1.165 20 0 GDADMM C=C/C(C)=C/CC(=O)N[C@@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)C[C@@H]1O ZINC001573317215 947293903 /nfs/dbraw/zinc/29/39/03/947293903.db2.gz MRFZAEWMSWDQNA-PIOFTHJTSA-N -1 1 395.876 1.165 20 0 GDADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1cnc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001573592340 947336315 /nfs/dbraw/zinc/33/63/15/947336315.db2.gz JKIBDHINISLJRM-GFCCVEGCSA-N -1 1 384.448 1.011 20 0 GDADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1cnc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001573592340 947336325 /nfs/dbraw/zinc/33/63/25/947336325.db2.gz JKIBDHINISLJRM-GFCCVEGCSA-N -1 1 384.448 1.011 20 0 GDADMM C[C@H](C(=O)N(C)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccsc1 ZINC001573593185 947365527 /nfs/dbraw/zinc/36/55/27/947365527.db2.gz REXROBMNMGUADO-WCQYABFASA-N -1 1 384.469 1.559 20 0 GDADMM C[C@H](C(=O)N(C)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccsc1 ZINC001573593185 947365538 /nfs/dbraw/zinc/36/55/38/947365538.db2.gz REXROBMNMGUADO-WCQYABFASA-N -1 1 384.469 1.559 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CCc1ccc2[nH]ccc2c1 ZINC000825923651 947371286 /nfs/dbraw/zinc/37/12/86/947371286.db2.gz PYNIITBLLKATNW-UHFFFAOYSA-N -1 1 393.455 1.677 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CCc1ccc2[nH]ccc2c1 ZINC000825923651 947371297 /nfs/dbraw/zinc/37/12/97/947371297.db2.gz PYNIITBLLKATNW-UHFFFAOYSA-N -1 1 393.455 1.677 20 0 GDADMM COC(=O)[C@H](CNC(=O)Cc1noc(C)c1-c1nnn[n-]1)c1ccc(C)cc1 ZINC000826103476 947429354 /nfs/dbraw/zinc/42/93/54/947429354.db2.gz HQKITCPINJKWFJ-CYBMUJFWSA-N -1 1 384.396 1.087 20 0 GDADMM COC(=O)[C@H](CNC(=O)Cc1noc(C)c1-c1nn[n-]n1)c1ccc(C)cc1 ZINC000826103476 947429363 /nfs/dbraw/zinc/42/93/63/947429363.db2.gz HQKITCPINJKWFJ-CYBMUJFWSA-N -1 1 384.396 1.087 20 0 GDADMM C[C@@H](C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1)c1ccc(S(C)(=O)=O)cc1 ZINC001573604687 947516069 /nfs/dbraw/zinc/51/60/69/947516069.db2.gz PNROTNNNGOPDFQ-LLVKDONJSA-N -1 1 386.437 1.432 20 0 GDADMM C[C@@H](C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1)c1ccc(S(C)(=O)=O)cc1 ZINC001573604687 947516078 /nfs/dbraw/zinc/51/60/78/947516078.db2.gz PNROTNNNGOPDFQ-LLVKDONJSA-N -1 1 386.437 1.432 20 0 GDADMM COc1cc(N(C)C(=O)Cc2noc(C)c2-c2nnn[n-]2)cc(OC)c1OC ZINC000826180339 947557478 /nfs/dbraw/zinc/55/74/78/947557478.db2.gz CRMKUHOAVFYNDG-UHFFFAOYSA-N -1 1 388.384 1.394 20 0 GDADMM COc1cc(N(C)C(=O)Cc2noc(C)c2-c2nn[n-]n2)cc(OC)c1OC ZINC000826180339 947557486 /nfs/dbraw/zinc/55/74/86/947557486.db2.gz CRMKUHOAVFYNDG-UHFFFAOYSA-N -1 1 388.384 1.394 20 0 GDADMM C[C@@H](C(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C(C)(C)C1)C(C)(F)F ZINC001573614525 947588473 /nfs/dbraw/zinc/58/84/73/947588473.db2.gz MSQOJDPSPNSCMV-ONGXEEELSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@@H](C(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C(C)(C)C1)C(C)(F)F ZINC001573614525 947588482 /nfs/dbraw/zinc/58/84/82/947588482.db2.gz MSQOJDPSPNSCMV-ONGXEEELSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573615283 947604575 /nfs/dbraw/zinc/60/45/75/947604575.db2.gz DAMWKASDQYUUEI-NEPJUHHUSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@@H](C(=O)N1CCC(CNc2cnc(-c3nnn[n-]3)cn2)CC1)[C@@H]1CCCO1 ZINC001573616360 947620801 /nfs/dbraw/zinc/62/08/01/947620801.db2.gz IGYOLOMGSJVMBF-DOMZBBRYSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](C(=O)N1CCC(CNc2cnc(-c3nn[n-]n3)cn2)CC1)[C@@H]1CCCO1 ZINC001573616360 947620806 /nfs/dbraw/zinc/62/08/06/947620806.db2.gz IGYOLOMGSJVMBF-DOMZBBRYSA-N -1 1 386.460 1.122 20 0 GDADMM C=Cc1ccc(C(=O)N2C[C@H](C)[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001573352170 947627225 /nfs/dbraw/zinc/62/72/25/947627225.db2.gz XFEJMZXKBUNGRN-BLLLJJGKSA-N -1 1 376.424 1.872 20 0 GDADMM C=Cc1ccc(C(=O)N2C[C@H](C)[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001573352170 947627231 /nfs/dbraw/zinc/62/72/31/947627231.db2.gz XFEJMZXKBUNGRN-BLLLJJGKSA-N -1 1 376.424 1.872 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@H](C)C[C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001573354403 947632300 /nfs/dbraw/zinc/63/23/00/947632300.db2.gz BTDLLFHOHOGDBK-STQMWFEESA-N -1 1 378.440 1.731 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CN(C)c2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001573617258 947633260 /nfs/dbraw/zinc/63/32/60/947633260.db2.gz ONVNHAWAGWMVST-NXEZZACHSA-N -1 1 384.366 1.140 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CN(C)c2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001573617258 947633264 /nfs/dbraw/zinc/63/32/64/947633264.db2.gz ONVNHAWAGWMVST-NXEZZACHSA-N -1 1 384.366 1.140 20 0 GDADMM COc1cccc(N2CC[C@@H](NC(=O)Cc3noc(C)c3-c3nnn[n-]3)C2)c1 ZINC000826217072 947636884 /nfs/dbraw/zinc/63/68/84/947636884.db2.gz XYTMSCASXYXICR-GFCCVEGCSA-N -1 1 383.412 1.109 20 0 GDADMM COc1cccc(N2CC[C@@H](NC(=O)Cc3noc(C)c3-c3nn[n-]n3)C2)c1 ZINC000826217072 947636890 /nfs/dbraw/zinc/63/68/90/947636890.db2.gz XYTMSCASXYXICR-GFCCVEGCSA-N -1 1 383.412 1.109 20 0 GDADMM C[C@H](C(=O)N1CCC(N(C)c2cnc(-c3nnn[n-]3)cn2)CC1)c1ccco1 ZINC001573617450 947637369 /nfs/dbraw/zinc/63/73/69/947637369.db2.gz LRZNMGHTYQPEHQ-LBPRGKRZSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@H](C(=O)N1CCC(N(C)c2cnc(-c3nn[n-]n3)cn2)CC1)c1ccco1 ZINC001573617450 947637374 /nfs/dbraw/zinc/63/73/74/947637374.db2.gz LRZNMGHTYQPEHQ-LBPRGKRZSA-N -1 1 382.428 1.481 20 0 GDADMM C=Cc1ccc(C(=O)N2CCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001573355093 947640129 /nfs/dbraw/zinc/64/01/29/947640129.db2.gz MJDSGCMKKSFASP-HNNXBMFYSA-N -1 1 376.424 1.438 20 0 GDADMM COc1cccc2ncnc(N(C)CCCc3[nH]nc(N)c3-c3nn[n-]n3)c21 ZINC000826217891 947641660 /nfs/dbraw/zinc/64/16/60/947641660.db2.gz GWGWIACEPLLGFK-UHFFFAOYSA-N -1 1 380.416 1.193 20 0 GDADMM C=Cc1ccc(C(=O)N[C@]2(C)CCN(c3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573355392 947643212 /nfs/dbraw/zinc/64/32/12/947643212.db2.gz PBEZFYKZFXNZHQ-LJQANCHMSA-N -1 1 376.424 1.699 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001573618994 947660764 /nfs/dbraw/zinc/66/07/64/947660764.db2.gz UWIKBJIMGNZAGB-UWVGGRQHSA-N -1 1 384.366 1.140 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001573618994 947660769 /nfs/dbraw/zinc/66/07/69/947660769.db2.gz UWIKBJIMGNZAGB-UWVGGRQHSA-N -1 1 384.366 1.140 20 0 GDADMM C=Cc1ccc(C(=O)NCCN(CCC)c2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001573358707 947668471 /nfs/dbraw/zinc/66/84/71/947668471.db2.gz ILOJZUIQGNAGMO-UHFFFAOYSA-N -1 1 378.440 1.946 20 0 GDADMM C=Cc1ccc(C(=O)NCCN(CCC)c2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001573358707 947668475 /nfs/dbraw/zinc/66/84/75/947668475.db2.gz ILOJZUIQGNAGMO-UHFFFAOYSA-N -1 1 378.440 1.946 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CCC(CCCO)CC2)cc1-c1nn[n-]n1 ZINC000826229972 947671454 /nfs/dbraw/zinc/67/14/54/947671454.db2.gz YWHPGCRIXYBEAQ-UHFFFAOYSA-N -1 1 378.458 1.314 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)N[C@H](C)[C@H](CO)SC)c1-c1nn[n-]n1 ZINC000826231401 947676907 /nfs/dbraw/zinc/67/69/07/947676907.db2.gz JYAVNOFXIFABKH-PELKAZGASA-N -1 1 394.526 1.703 20 0 GDADMM CC(=CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccccc1C ZINC001573359005 947677140 /nfs/dbraw/zinc/67/71/40/947677140.db2.gz UAVQQOCTFAQIQK-QBFSEMIESA-N -1 1 380.456 1.975 20 0 GDADMM CC(=CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccccc1C ZINC001573359005 947677150 /nfs/dbraw/zinc/67/71/50/947677150.db2.gz UAVQQOCTFAQIQK-QBFSEMIESA-N -1 1 380.456 1.975 20 0 GDADMM C=Cc1ccc(C(=O)N[C@H]2C[C@H](CNc3nccnc3-c3nnn[n-]3)C2)cc1 ZINC001573359246 947680360 /nfs/dbraw/zinc/68/03/60/947680360.db2.gz RPFUHYFJYGGSIN-CTYIDZIISA-N -1 1 376.424 1.920 20 0 GDADMM C=Cc1ccc(C(=O)N[C@H]2C[C@H](CNc3nccnc3-c3nn[n-]n3)C2)cc1 ZINC001573359246 947680365 /nfs/dbraw/zinc/68/03/65/947680365.db2.gz RPFUHYFJYGGSIN-CTYIDZIISA-N -1 1 376.424 1.920 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)O[C@H](C)CCn1cccn1 ZINC000826233217 947685246 /nfs/dbraw/zinc/68/52/46/947685246.db2.gz YKGBAXLFKGBDBG-LLVKDONJSA-N -1 1 385.428 1.735 20 0 GDADMM C/C(=C\C(=O)N[C@H](C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C1CC1 ZINC001573362072 947700666 /nfs/dbraw/zinc/70/06/66/947700666.db2.gz ILMSIUHLZZJBJC-CNELAYHGSA-N -1 1 382.472 1.734 20 0 GDADMM C/C(=C\C(=O)N[C@H](C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C1CC1 ZINC001573362072 947700673 /nfs/dbraw/zinc/70/06/73/947700673.db2.gz ILMSIUHLZZJBJC-CNELAYHGSA-N -1 1 382.472 1.734 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccccc1F ZINC001573625617 947702029 /nfs/dbraw/zinc/70/20/29/947702029.db2.gz PRMPCGRDZMJJOG-NWDGAFQWSA-N -1 1 382.403 1.612 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccccc1F ZINC001573625617 947702034 /nfs/dbraw/zinc/70/20/34/947702034.db2.gz PRMPCGRDZMJJOG-NWDGAFQWSA-N -1 1 382.403 1.612 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC001573627445 947725468 /nfs/dbraw/zinc/72/54/68/947725468.db2.gz BNIOFVKLTOFXFS-OLZOCXBDSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC001573627445 947725476 /nfs/dbraw/zinc/72/54/76/947725476.db2.gz BNIOFVKLTOFXFS-OLZOCXBDSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@H](C(=O)N1CCC2(C1)CCN(c1ccc(-c3nnn[n-]3)nn1)CC2)C1CC1 ZINC001573627585 947726081 /nfs/dbraw/zinc/72/60/81/947726081.db2.gz AUSAAANOEVWALS-ZDUSSCGKSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H](C(=O)N1CCC2(C1)CCN(c1ccc(-c3nn[n-]n3)nn1)CC2)C1CC1 ZINC001573627585 947726089 /nfs/dbraw/zinc/72/60/89/947726089.db2.gz AUSAAANOEVWALS-ZDUSSCGKSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573627641 947730338 /nfs/dbraw/zinc/73/03/38/947730338.db2.gz DDVGRWIJGHXKDH-UWVGGRQHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001573627965 947740397 /nfs/dbraw/zinc/74/03/97/947740397.db2.gz DIPGOMDCGKINRF-ZJUUUORDSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573627965 947740405 /nfs/dbraw/zinc/74/04/05/947740405.db2.gz DIPGOMDCGKINRF-ZJUUUORDSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001573627962 947741471 /nfs/dbraw/zinc/74/14/71/947741471.db2.gz DIPGOMDCGKINRF-NXEZZACHSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573627962 947741479 /nfs/dbraw/zinc/74/14/79/947741479.db2.gz DIPGOMDCGKINRF-NXEZZACHSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](CNc2nccnc2-c2nnn[n-]2)C1)C(C)(F)F ZINC001573628133 947746008 /nfs/dbraw/zinc/74/60/08/947746008.db2.gz FLMUGRMZFRVMES-WDEREUQCSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](CNc2nccnc2-c2nn[n-]n2)C1)C(C)(F)F ZINC001573628133 947746015 /nfs/dbraw/zinc/74/60/15/947746015.db2.gz FLMUGRMZFRVMES-WDEREUQCSA-N -1 1 380.403 1.599 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(C(=O)NC(C)C)cc2C)c1-c1nnn[n-]1 ZINC000826258748 947746863 /nfs/dbraw/zinc/74/68/63/947746863.db2.gz UZDOWNRYXJTPPC-UHFFFAOYSA-N -1 1 383.412 1.791 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(C(=O)NC(C)C)cc2C)c1-c1nn[n-]n1 ZINC000826258748 947746866 /nfs/dbraw/zinc/74/68/66/947746866.db2.gz UZDOWNRYXJTPPC-UHFFFAOYSA-N -1 1 383.412 1.791 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@H]([C@@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573367394 947759047 /nfs/dbraw/zinc/75/90/47/947759047.db2.gz CJNUIWMTRLVLDH-KGLIPLIRSA-N -1 1 386.460 1.373 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@H]([C@@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573367394 947759054 /nfs/dbraw/zinc/75/90/54/947759054.db2.gz CJNUIWMTRLVLDH-KGLIPLIRSA-N -1 1 386.460 1.373 20 0 GDADMM CC(=O)CCCC(=O)N(C)C1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573367388 947759385 /nfs/dbraw/zinc/75/93/85/947759385.db2.gz CGYCUKMHWGGDDM-UHFFFAOYSA-N -1 1 386.460 1.152 20 0 GDADMM CC(=O)CCCC(=O)N(C)C1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573367388 947759392 /nfs/dbraw/zinc/75/93/92/947759392.db2.gz CGYCUKMHWGGDDM-UHFFFAOYSA-N -1 1 386.460 1.152 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1)C1CC1 ZINC001573629017 947769891 /nfs/dbraw/zinc/76/98/91/947769891.db2.gz QDSLHBVAKTZLKS-BFUOFWGJSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1)C1CC1 ZINC001573629017 947769894 /nfs/dbraw/zinc/76/98/94/947769894.db2.gz QDSLHBVAKTZLKS-BFUOFWGJSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]2[C@H]1CCN2c1cnc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001573629744 947783217 /nfs/dbraw/zinc/78/32/17/947783217.db2.gz VAFLQWXKZRKDER-BPLDGKMQSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]2[C@H]1CCN2c1cnc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001573629744 947783231 /nfs/dbraw/zinc/78/32/31/947783231.db2.gz VAFLQWXKZRKDER-BPLDGKMQSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001573629711 947783281 /nfs/dbraw/zinc/78/32/81/947783281.db2.gz PJLZPTAPEIKZTB-ZJUUUORDSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573629711 947783294 /nfs/dbraw/zinc/78/32/94/947783294.db2.gz PJLZPTAPEIKZTB-ZJUUUORDSA-N -1 1 384.366 1.282 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C12CCC2 ZINC001573373141 947788042 /nfs/dbraw/zinc/78/80/42/947788042.db2.gz BBJWBNWBMYCGKS-ZIAGYGMSSA-N -1 1 384.444 1.255 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C12CCC2 ZINC001573373141 947788051 /nfs/dbraw/zinc/78/80/51/947788051.db2.gz BBJWBNWBMYCGKS-ZIAGYGMSSA-N -1 1 384.444 1.255 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001573630155 947788123 /nfs/dbraw/zinc/78/81/23/947788123.db2.gz QZZZQQHIYXLZAR-KGLIPLIRSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001573630155 947788131 /nfs/dbraw/zinc/78/81/31/947788131.db2.gz QZZZQQHIYXLZAR-KGLIPLIRSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@@H](C(=O)N1CC[C@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1)C(C)(F)F ZINC001573631328 947799458 /nfs/dbraw/zinc/79/94/58/947799458.db2.gz UQUHWLIAKVWLPM-GTNSWQLSSA-N -1 1 392.414 1.377 20 0 GDADMM C[C@@H](C(=O)N1CC[C@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1)C(C)(F)F ZINC001573631328 947799466 /nfs/dbraw/zinc/79/94/66/947799466.db2.gz UQUHWLIAKVWLPM-GTNSWQLSSA-N -1 1 392.414 1.377 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)C(C)(F)F ZINC001573631530 947801451 /nfs/dbraw/zinc/80/14/51/947801451.db2.gz VZFUFVMFOBSFAW-QWRGUYRKSA-N -1 1 380.403 1.375 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573631530 947801459 /nfs/dbraw/zinc/80/14/59/947801459.db2.gz VZFUFVMFOBSFAW-QWRGUYRKSA-N -1 1 380.403 1.375 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001573632005 947806571 /nfs/dbraw/zinc/80/65/71/947806571.db2.gz XWMOFFHVIIMZMU-STQMWFEESA-N -1 1 382.428 1.481 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001573632005 947806582 /nfs/dbraw/zinc/80/65/82/947806582.db2.gz XWMOFFHVIIMZMU-STQMWFEESA-N -1 1 382.428 1.481 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001573632082 947808622 /nfs/dbraw/zinc/80/86/22/947808622.db2.gz YWKUJOPBCSUEAW-OLZOCXBDSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001573632082 947808634 /nfs/dbraw/zinc/80/86/34/947808634.db2.gz YWKUJOPBCSUEAW-OLZOCXBDSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@@H](C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)c1cccs1 ZINC001573637733 947822160 /nfs/dbraw/zinc/82/21/60/947822160.db2.gz OJIVAMMXGQHBJS-GFCCVEGCSA-N -1 1 384.469 1.561 20 0 GDADMM C[C@@H](C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)c1cccs1 ZINC001573637733 947822169 /nfs/dbraw/zinc/82/21/69/947822169.db2.gz OJIVAMMXGQHBJS-GFCCVEGCSA-N -1 1 384.469 1.561 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CCC[C@@H]1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573375861 947827842 /nfs/dbraw/zinc/82/78/42/947827842.db2.gz QUTQZUKTLRCARS-KGLIPLIRSA-N -1 1 386.460 1.421 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CCC[C@@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573375861 947827847 /nfs/dbraw/zinc/82/78/47/947827847.db2.gz QUTQZUKTLRCARS-KGLIPLIRSA-N -1 1 386.460 1.421 20 0 GDADMM Cc1onc(CC(=O)NCC(=O)Nc2ccc(C)cc2Cl)c1-c1nnn[n-]1 ZINC000826290726 947846398 /nfs/dbraw/zinc/84/63/98/947846398.db2.gz XONBBWRWTNNCOZ-UHFFFAOYSA-N -1 1 389.803 1.422 20 0 GDADMM Cc1onc(CC(=O)NCC(=O)Nc2ccc(C)cc2Cl)c1-c1nn[n-]n1 ZINC000826290726 947846407 /nfs/dbraw/zinc/84/64/07/947846407.db2.gz XONBBWRWTNNCOZ-UHFFFAOYSA-N -1 1 389.803 1.422 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H](C)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573376944 947846605 /nfs/dbraw/zinc/84/66/05/947846605.db2.gz FXUURJUWTWPUGY-KBPBESRZSA-N -1 1 386.460 1.137 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H](C)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573376944 947846610 /nfs/dbraw/zinc/84/66/10/947846610.db2.gz FXUURJUWTWPUGY-KBPBESRZSA-N -1 1 386.460 1.137 20 0 GDADMM Cc1onc(CC(=O)NCc2cc(C)ccc2OC(F)F)c1-c1nnn[n-]1 ZINC000826291974 947849174 /nfs/dbraw/zinc/84/91/74/947849174.db2.gz CSBCXSVKZHCTSE-UHFFFAOYSA-N -1 1 378.339 1.932 20 0 GDADMM Cc1onc(CC(=O)NCc2cc(C)ccc2OC(F)F)c1-c1nn[n-]n1 ZINC000826291974 947849183 /nfs/dbraw/zinc/84/91/83/947849183.db2.gz CSBCXSVKZHCTSE-UHFFFAOYSA-N -1 1 378.339 1.932 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cccc(F)c1 ZINC001573640596 947852657 /nfs/dbraw/zinc/85/26/57/947852657.db2.gz IIWLDGQADJHFTF-SMDDNHRTSA-N -1 1 382.403 1.612 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cccc(F)c1 ZINC001573640596 947852667 /nfs/dbraw/zinc/85/26/67/947852667.db2.gz IIWLDGQADJHFTF-SMDDNHRTSA-N -1 1 382.403 1.612 20 0 GDADMM CC(=O)CCCC(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCCCC1 ZINC001573380327 947855802 /nfs/dbraw/zinc/85/58/02/947855802.db2.gz AZIYTDBEURMVJB-UHFFFAOYSA-N -1 1 386.460 1.647 20 0 GDADMM CC(=O)CCCC(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCCCC1 ZINC001573380327 947855812 /nfs/dbraw/zinc/85/58/12/947855812.db2.gz AZIYTDBEURMVJB-UHFFFAOYSA-N -1 1 386.460 1.647 20 0 GDADMM CC(=O)CCCC(=O)NC[C@]1(C)CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573381455 947874375 /nfs/dbraw/zinc/87/43/75/947874375.db2.gz VSSKBASWSFIIDI-SFHVURJKSA-N -1 1 386.460 1.139 20 0 GDADMM CC(=O)CCCC(=O)NC[C@]1(C)CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573381455 947874381 /nfs/dbraw/zinc/87/43/81/947874381.db2.gz VSSKBASWSFIIDI-SFHVURJKSA-N -1 1 386.460 1.139 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001573646525 947875485 /nfs/dbraw/zinc/87/54/85/947875485.db2.gz PJXCIHFRWIAWSA-ZWKOPEQDSA-N -1 1 388.819 1.007 20 0 GDADMM C[C@H](C(=O)N1C[C@@H]2CCC[C@]2(CNc2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001573647262 947889606 /nfs/dbraw/zinc/88/96/06/947889606.db2.gz GKTFSGVCNDICAS-PJFSTRORSA-N -1 1 382.472 1.165 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1)C(C)(F)F ZINC001573647756 947901971 /nfs/dbraw/zinc/90/19/71/947901971.db2.gz STLIJWGTCODDLX-OUAUKWLOSA-N -1 1 380.403 1.454 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1)C(C)(F)F ZINC001573647756 947901975 /nfs/dbraw/zinc/90/19/75/947901975.db2.gz STLIJWGTCODDLX-OUAUKWLOSA-N -1 1 380.403 1.454 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1)C(C)(F)F ZINC001573651269 947918993 /nfs/dbraw/zinc/91/89/93/947918993.db2.gz KREDONGBKBKVAR-UTUOFQBUSA-N -1 1 392.414 1.233 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1)C(C)(F)F ZINC001573651269 947918998 /nfs/dbraw/zinc/91/89/98/947918998.db2.gz KREDONGBKBKVAR-UTUOFQBUSA-N -1 1 392.414 1.233 20 0 GDADMM C[C@H](C(=O)N=[S@@](C)(=O)c1ccc(Cl)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001573652298 947933865 /nfs/dbraw/zinc/93/38/65/947933865.db2.gz WVHFXUXHTOEZRU-NRYVIMAVSA-N -1 1 380.821 1.356 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)c1cccs1 ZINC001573652305 947935956 /nfs/dbraw/zinc/93/59/56/947935956.db2.gz CFBLNQWWUCKSMX-JQWIXIFHSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)c1cccs1 ZINC001573652305 947935963 /nfs/dbraw/zinc/93/59/63/947935963.db2.gz CFBLNQWWUCKSMX-JQWIXIFHSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)N[C@@](C)(CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)C(C)(F)F ZINC001573652543 947942511 /nfs/dbraw/zinc/94/25/11/947942511.db2.gz DLKZLJPSSLYLEO-PSLIRLAXSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@H](C(=O)N[C@@](C)(CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)C(C)(F)F ZINC001573652543 947942517 /nfs/dbraw/zinc/94/25/17/947942517.db2.gz DLKZLJPSSLYLEO-PSLIRLAXSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C(C)(C)C)C(F)(F)F ZINC001573652633 947944010 /nfs/dbraw/zinc/94/40/10/947944010.db2.gz FORFKHZNASNFNP-SCZZXKLOSA-N -1 1 386.382 1.798 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C(C)(C)C)C(F)(F)F ZINC001573652633 947944013 /nfs/dbraw/zinc/94/40/13/947944013.db2.gz FORFKHZNASNFNP-SCZZXKLOSA-N -1 1 386.382 1.798 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C(C)(C)C)C(C)(F)F ZINC001573653616 947957654 /nfs/dbraw/zinc/95/76/54/947957654.db2.gz MCENFALEVNKDSQ-MWLCHTKSSA-N -1 1 382.419 1.891 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C(C)(C)C)C(C)(F)F ZINC001573653616 947957660 /nfs/dbraw/zinc/95/76/60/947957660.db2.gz MCENFALEVNKDSQ-MWLCHTKSSA-N -1 1 382.419 1.891 20 0 GDADMM Cc1nn(C)c(Cl)c1[C@H]1CCCN1C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000826333656 947967576 /nfs/dbraw/zinc/96/75/76/947967576.db2.gz QCPKRXFQIJLENQ-LLVKDONJSA-N -1 1 390.835 1.765 20 0 GDADMM Cc1nn(C)c(Cl)c1[C@H]1CCCN1C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000826333656 947967583 /nfs/dbraw/zinc/96/75/83/947967583.db2.gz QCPKRXFQIJLENQ-LLVKDONJSA-N -1 1 390.835 1.765 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)c1cccnc1 ZINC001573655379 947978124 /nfs/dbraw/zinc/97/81/24/947978124.db2.gz XDCIANJJZONSJA-BXUZGUMPSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)c1cccnc1 ZINC001573655379 947978128 /nfs/dbraw/zinc/97/81/28/947978128.db2.gz XDCIANJJZONSJA-BXUZGUMPSA-N -1 1 379.428 1.162 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCc1ccnc(N(C)C)n1 ZINC000826341042 947979980 /nfs/dbraw/zinc/97/99/80/947979980.db2.gz UMQLIJPXXDVKHX-UHFFFAOYSA-N -1 1 393.411 1.345 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCc1ccnc(N(C)C)n1 ZINC000826341042 947979985 /nfs/dbraw/zinc/97/99/85/947979985.db2.gz UMQLIJPXXDVKHX-UHFFFAOYSA-N -1 1 393.411 1.345 20 0 GDADMM Cc1onc(CC(=O)N(C)Cc2ccc(OC(F)F)cc2)c1-c1nnn[n-]1 ZINC000826343048 947986312 /nfs/dbraw/zinc/98/63/12/947986312.db2.gz KILKWTOYXUFFIO-UHFFFAOYSA-N -1 1 378.339 1.966 20 0 GDADMM Cc1onc(CC(=O)N(C)Cc2ccc(OC(F)F)cc2)c1-c1nn[n-]n1 ZINC000826343048 947986318 /nfs/dbraw/zinc/98/63/18/947986318.db2.gz KILKWTOYXUFFIO-UHFFFAOYSA-N -1 1 378.339 1.966 20 0 GDADMM Cc1onc(CC(=O)N(C)CC(=O)Nc2ccccc2Cl)c1-c1nnn[n-]1 ZINC000826343244 947988196 /nfs/dbraw/zinc/98/81/96/947988196.db2.gz SGHMSPUWYRCORW-UHFFFAOYSA-N -1 1 389.803 1.456 20 0 GDADMM Cc1onc(CC(=O)N(C)CC(=O)Nc2ccccc2Cl)c1-c1nn[n-]n1 ZINC000826343244 947988198 /nfs/dbraw/zinc/98/81/98/947988198.db2.gz SGHMSPUWYRCORW-UHFFFAOYSA-N -1 1 389.803 1.456 20 0 GDADMM C[C@@H](C(=O)NC1(CNc2cncc(-c3nnn[n-]3)n2)CCOCC1)C1CCC1 ZINC001573662826 948028995 /nfs/dbraw/zinc/02/89/95/948028995.db2.gz HDRMOPWLQDDXNY-GFCCVEGCSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](C(=O)NC1(CNc2cncc(-c3nn[n-]n3)n2)CCOCC1)C1CCC1 ZINC001573662826 948029008 /nfs/dbraw/zinc/02/90/08/948029008.db2.gz HDRMOPWLQDDXNY-GFCCVEGCSA-N -1 1 386.460 1.170 20 0 GDADMM Cc1onc(CC(=O)NC[C@](O)(c2ccccc2)C(F)(F)F)c1-c1nnn[n-]1 ZINC000826346848 948044655 /nfs/dbraw/zinc/04/46/55/948044655.db2.gz XEIVBGMYOSWVET-HNNXBMFYSA-N -1 1 396.329 1.272 20 0 GDADMM Cc1onc(CC(=O)NC[C@](O)(c2ccccc2)C(F)(F)F)c1-c1nn[n-]n1 ZINC000826346848 948044664 /nfs/dbraw/zinc/04/46/64/948044664.db2.gz XEIVBGMYOSWVET-HNNXBMFYSA-N -1 1 396.329 1.272 20 0 GDADMM Cc1onc(CC(=O)N[C@H]2CCCN(c3ccccc3)C2=O)c1-c1nnn[n-]1 ZINC000826346864 948045520 /nfs/dbraw/zinc/04/55/20/948045520.db2.gz XRYDRILDZLKYIQ-ZDUSSCGKSA-N -1 1 381.396 1.017 20 0 GDADMM Cc1onc(CC(=O)N[C@H]2CCCN(c3ccccc3)C2=O)c1-c1nn[n-]n1 ZINC000826346864 948045535 /nfs/dbraw/zinc/04/55/35/948045535.db2.gz XRYDRILDZLKYIQ-ZDUSSCGKSA-N -1 1 381.396 1.017 20 0 GDADMM C[C@@H](C(=O)NC1CC(CNc2cnc(-c3nnn[n-]3)cn2)C1)c1cccs1 ZINC001573664940 948065641 /nfs/dbraw/zinc/06/56/41/948065641.db2.gz ZDPFTYZJRDIZOF-VOMCLLRMSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)NC1CC(CNc2cnc(-c3nn[n-]n3)cn2)C1)c1cccs1 ZINC001573664940 948065647 /nfs/dbraw/zinc/06/56/47/948065647.db2.gz ZDPFTYZJRDIZOF-VOMCLLRMSA-N -1 1 384.469 1.829 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)c1-c1nnn[n-]1 ZINC000826348517 948075760 /nfs/dbraw/zinc/07/57/60/948075760.db2.gz QHUVKNLALAMVTR-RYUDHWBXSA-N -1 1 397.439 1.958 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)c1-c1nn[n-]n1 ZINC000826348517 948075765 /nfs/dbraw/zinc/07/57/65/948075765.db2.gz QHUVKNLALAMVTR-RYUDHWBXSA-N -1 1 397.439 1.958 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)n1 ZINC000826357002 948111367 /nfs/dbraw/zinc/11/13/67/948111367.db2.gz NNUFIGKQXMMXFN-LLVKDONJSA-N -1 1 387.835 1.654 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)n1 ZINC000826357002 948111373 /nfs/dbraw/zinc/11/13/73/948111373.db2.gz NNUFIGKQXMMXFN-LLVKDONJSA-N -1 1 387.835 1.654 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccccc1F ZINC001573677091 948132778 /nfs/dbraw/zinc/13/27/78/948132778.db2.gz VSRWHKNWTUJSEF-NWDGAFQWSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccccc1F ZINC001573677091 948132781 /nfs/dbraw/zinc/13/27/81/948132781.db2.gz VSRWHKNWTUJSEF-NWDGAFQWSA-N -1 1 382.403 1.294 20 0 GDADMM CC(=O)N1C[C@H](C)O[C@@]2(CCN(c3snc(Cl)c3-c3nnn[n-]3)C2)C1 ZINC001573427419 948164947 /nfs/dbraw/zinc/16/49/47/948164947.db2.gz YGVOTTZEQCXEBD-RMLUDKJBSA-N -1 1 383.865 1.193 20 0 GDADMM CC(=O)N1C[C@H](C)O[C@@]2(CCN(c3snc(Cl)c3-c3nn[n-]n3)C2)C1 ZINC001573427419 948164951 /nfs/dbraw/zinc/16/49/51/948164951.db2.gz YGVOTTZEQCXEBD-RMLUDKJBSA-N -1 1 383.865 1.193 20 0 GDADMM C[C@H](C(=O)NC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1)c1cccnc1 ZINC001573681193 948197989 /nfs/dbraw/zinc/19/79/89/948197989.db2.gz SOLYTKJWEHHIFR-SMDDNHRTSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@H](C(=O)NC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1)c1cccnc1 ZINC001573681193 948197994 /nfs/dbraw/zinc/19/79/94/948197994.db2.gz SOLYTKJWEHHIFR-SMDDNHRTSA-N -1 1 379.428 1.162 20 0 GDADMM O=C(C=CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])Nc1ccc2n[nH]cc2c1 ZINC000826399669 948215104 /nfs/dbraw/zinc/21/51/04/948215104.db2.gz BZIJFCDALDUYCC-AATRIKPKSA-N -1 1 390.363 1.582 20 0 GDADMM C[C@@H](C(=O)NC[C@]1(C)CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1CCC1 ZINC001573690567 948226426 /nfs/dbraw/zinc/22/64/26/948226426.db2.gz DPVHWJGJADUNDM-YJYMSZOUSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NC[C@]1(C)CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1CCC1 ZINC001573690567 948226435 /nfs/dbraw/zinc/22/64/35/948226435.db2.gz DPVHWJGJADUNDM-YJYMSZOUSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NC[C@@]1(C)CN(c2ccnc(-c3nn[n-]n3)n2)CCO1)C(C)(C)C ZINC001573691110 948236078 /nfs/dbraw/zinc/23/60/78/948236078.db2.gz HNHQEENVLMNFCA-SGTLLEGYSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCOCC1)C1CCC1 ZINC001573692078 948254876 /nfs/dbraw/zinc/25/48/76/948254876.db2.gz LDZMGIOODDBNHC-LBPRGKRZSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCOCC1)C1CCC1 ZINC001573692078 948254887 /nfs/dbraw/zinc/25/48/87/948254887.db2.gz LDZMGIOODDBNHC-LBPRGKRZSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](C(=O)NC[C@]1(C)CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CCC1 ZINC001573693367 948282031 /nfs/dbraw/zinc/28/20/31/948282031.db2.gz SRAPAJJKSHGYON-YJYMSZOUSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NC[C@]1(C)CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CCC1 ZINC001573693367 948282039 /nfs/dbraw/zinc/28/20/39/948282039.db2.gz SRAPAJJKSHGYON-YJYMSZOUSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NCC1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cccnc1 ZINC001573696342 948321621 /nfs/dbraw/zinc/32/16/21/948321621.db2.gz OFEGKDKGMQCVDJ-DCBWTQNWSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@H](C(=O)NCC1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cccnc1 ZINC001573696342 948321630 /nfs/dbraw/zinc/32/16/30/948321630.db2.gz OFEGKDKGMQCVDJ-DCBWTQNWSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1)c1cccs1 ZINC001573702854 948349809 /nfs/dbraw/zinc/34/98/09/948349809.db2.gz GNLVUSJBXMQPRJ-RYUDHWBXSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1)c1cccs1 ZINC001573702854 948349813 /nfs/dbraw/zinc/34/98/13/948349813.db2.gz GNLVUSJBXMQPRJ-RYUDHWBXSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCCCN1c1cnc(-c2nnn[n-]2)cn1)C1CCC1 ZINC001573702941 948351324 /nfs/dbraw/zinc/35/13/24/948351324.db2.gz HSSDJHJHMJEVHP-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCCCN1c1cnc(-c2nn[n-]n2)cn1)C1CCC1 ZINC001573702941 948351330 /nfs/dbraw/zinc/35/13/30/948351330.db2.gz HSSDJHJHMJEVHP-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCCO1)C(C)(C)C ZINC001573705233 948395501 /nfs/dbraw/zinc/39/55/01/948395501.db2.gz DNZVFWHKWXDGDU-STQMWFEESA-N -1 1 388.476 1.050 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCCO1)C(C)(C)C ZINC001573705233 948395506 /nfs/dbraw/zinc/39/55/06/948395506.db2.gz DNZVFWHKWXDGDU-STQMWFEESA-N -1 1 388.476 1.050 20 0 GDADMM C[C@H](C(=O)NC[C@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1)C1CCC1 ZINC001573706285 948415550 /nfs/dbraw/zinc/41/55/50/948415550.db2.gz IBNVCGPQQJGPHA-JSGCOSHPSA-N -1 1 390.513 1.681 20 0 GDADMM C[C@H](C(=O)NCC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001573714556 948474754 /nfs/dbraw/zinc/47/47/54/948474754.db2.gz ICYIDKKIOPRSSW-STQMWFEESA-N -1 1 382.428 1.386 20 0 GDADMM C[C@H](C(=O)NCC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001573714678 948474938 /nfs/dbraw/zinc/47/49/38/948474938.db2.gz INRMJKXVGIWDRC-ZJUUUORDSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@H](C(=O)NCC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001573714678 948474940 /nfs/dbraw/zinc/47/49/40/948474940.db2.gz INRMJKXVGIWDRC-ZJUUUORDSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@H](C(=O)NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1)c1cccs1 ZINC001573717984 948513700 /nfs/dbraw/zinc/51/37/00/948513700.db2.gz GFOKUXSOEVEXIB-NSHDSACASA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1)c1ccc(Cl)cc1 ZINC001573721600 948541873 /nfs/dbraw/zinc/54/18/73/948541873.db2.gz ZGKSSXCEPDVPHG-LLVKDONJSA-N -1 1 386.847 1.666 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1)c1ccc(Cl)cc1 ZINC001573721600 948541878 /nfs/dbraw/zinc/54/18/78/948541878.db2.gz ZGKSSXCEPDVPHG-LLVKDONJSA-N -1 1 386.847 1.666 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001573725547 948544673 /nfs/dbraw/zinc/54/46/73/948544673.db2.gz APXHACROZDNGPZ-KXUCPTDWSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001573725547 948544681 /nfs/dbraw/zinc/54/46/81/948544681.db2.gz APXHACROZDNGPZ-KXUCPTDWSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C)C(C)(F)F ZINC001573726693 948550182 /nfs/dbraw/zinc/55/01/82/948550182.db2.gz JLRWMLHDSVHGCE-GMTAPVOTSA-N -1 1 380.403 1.137 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C)C(C)(F)F ZINC001573726693 948550187 /nfs/dbraw/zinc/55/01/87/948550187.db2.gz JLRWMLHDSVHGCE-GMTAPVOTSA-N -1 1 380.403 1.137 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)C(C)(F)F ZINC001573728693 948562703 /nfs/dbraw/zinc/56/27/03/948562703.db2.gz QMPFSWNUGHCYFB-GARJFASQSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573728693 948562711 /nfs/dbraw/zinc/56/27/11/948562711.db2.gz QMPFSWNUGHCYFB-GARJFASQSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@@H](C(=O)NCc1ccc(CCNc2ccc(-c3nnn[n-]3)nn2)cc1)C1CC1 ZINC001573730550 948583137 /nfs/dbraw/zinc/58/31/37/948583137.db2.gz RBGBHPCZALIVET-CYBMUJFWSA-N -1 1 392.467 1.974 20 0 GDADMM C[C@@H](C(=O)NCc1ccc(CCNc2ccc(-c3nn[n-]n3)nn2)cc1)C1CC1 ZINC001573730550 948583140 /nfs/dbraw/zinc/58/31/40/948583140.db2.gz RBGBHPCZALIVET-CYBMUJFWSA-N -1 1 392.467 1.974 20 0 GDADMM C[C@@H](C(=O)N[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1)c1c(F)cccc1F ZINC001573730698 948584754 /nfs/dbraw/zinc/58/47/54/948584754.db2.gz BNWOUHKXLBWIJU-VHSXEESVSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@@H](C(=O)N[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1)c1c(F)cccc1F ZINC001573730698 948584759 /nfs/dbraw/zinc/58/47/59/948584759.db2.gz BNWOUHKXLBWIJU-VHSXEESVSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@H](C(=O)N[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1)c1ccc(Cl)s1 ZINC001573732431 948602681 /nfs/dbraw/zinc/60/26/81/948602681.db2.gz PEYLGFQYOWDHFE-IUCAKERBSA-N -1 1 392.876 1.514 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C)c1ccsc1 ZINC001573745274 948671481 /nfs/dbraw/zinc/67/14/81/948671481.db2.gz DPAXXGUYVYMUJC-WZRBSPASSA-N -1 1 384.469 1.605 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C)c1ccsc1 ZINC001573745274 948671486 /nfs/dbraw/zinc/67/14/86/948671486.db2.gz DPAXXGUYVYMUJC-WZRBSPASSA-N -1 1 384.469 1.605 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1)C(C)(F)F ZINC001573752541 948714389 /nfs/dbraw/zinc/71/43/89/948714389.db2.gz NWGUIYVUALZCQU-ZNSHCXBVSA-N -1 1 378.387 1.174 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1)C(C)(F)F ZINC001573752541 948714396 /nfs/dbraw/zinc/71/43/96/948714396.db2.gz NWGUIYVUALZCQU-ZNSHCXBVSA-N -1 1 378.387 1.174 20 0 GDADMM CC(C)c1ccc(C(=O)N(C)CCN(C)c2nccnc2-c2nnn[n-]2)cc1 ZINC001574416363 948747428 /nfs/dbraw/zinc/74/74/28/948747428.db2.gz SAVFUQPWRRUOMW-UHFFFAOYSA-N -1 1 380.456 1.989 20 0 GDADMM CC(C)c1ccc(C(=O)N(C)CCN(C)c2nccnc2-c2nn[n-]n2)cc1 ZINC001574416363 948747434 /nfs/dbraw/zinc/74/74/34/948747434.db2.gz SAVFUQPWRRUOMW-UHFFFAOYSA-N -1 1 380.456 1.989 20 0 GDADMM C[C@H](CNC(=O)CCc1ccc(Cl)s1)Nc1nccnc1-c1nnn[n-]1 ZINC001574914422 948749395 /nfs/dbraw/zinc/74/93/95/948749395.db2.gz JCHPIIUBULAWOJ-SECBINFHSA-N -1 1 392.876 1.921 20 0 GDADMM C[C@H](CNC(=O)CCc1ccc(Cl)s1)Nc1nccnc1-c1nn[n-]n1 ZINC001574914422 948749401 /nfs/dbraw/zinc/74/94/01/948749401.db2.gz JCHPIIUBULAWOJ-SECBINFHSA-N -1 1 392.876 1.921 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCC(CNc3ccnc(-c4nn[n-]n4)n3)CC2)CC1 ZINC001575221793 948750919 /nfs/dbraw/zinc/75/09/19/948750919.db2.gz CTSYQYCPUUUMCK-UHFFFAOYSA-N -1 1 392.414 1.165 20 0 GDADMM C[C@H](CNC(=O)CCc1ccc2[nH]ccc2c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574914820 948753809 /nfs/dbraw/zinc/75/38/09/948753809.db2.gz NMOYDMCRKLKBEA-GFCCVEGCSA-N -1 1 391.439 1.687 20 0 GDADMM C[C@H](CNC(=O)CCc1ccc2[nH]ccc2c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574914820 948753822 /nfs/dbraw/zinc/75/38/22/948753822.db2.gz NMOYDMCRKLKBEA-GFCCVEGCSA-N -1 1 391.439 1.687 20 0 GDADMM C[C@@H](CNC(=O)CCc1ccc2[nH]ccc2c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574914821 948754649 /nfs/dbraw/zinc/75/46/49/948754649.db2.gz NMOYDMCRKLKBEA-LBPRGKRZSA-N -1 1 391.439 1.687 20 0 GDADMM C[C@@H](CNC(=O)CCc1ccc2[nH]ccc2c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574914821 948754657 /nfs/dbraw/zinc/75/46/57/948754657.db2.gz NMOYDMCRKLKBEA-LBPRGKRZSA-N -1 1 391.439 1.687 20 0 GDADMM C[C@H](CNC(=O)CCc1ccc(Cl)cc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574915081 948761292 /nfs/dbraw/zinc/76/12/92/948761292.db2.gz QFXOUOPGPCTRSO-LLVKDONJSA-N -1 1 386.847 1.860 20 0 GDADMM C[C@H](CNC(=O)CCc1ccc(Cl)cc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574915081 948761301 /nfs/dbraw/zinc/76/13/01/948761301.db2.gz QFXOUOPGPCTRSO-LLVKDONJSA-N -1 1 386.847 1.860 20 0 GDADMM C[C@@H](CNC(=O)CCc1ccc(F)cc1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574915025 948761358 /nfs/dbraw/zinc/76/13/58/948761358.db2.gz PEEWZIIODWYSQG-GFCCVEGCSA-N -1 1 384.419 1.015 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001575223387 948765237 /nfs/dbraw/zinc/76/52/37/948765237.db2.gz OIEQDRPMAVVVMP-SNVBAGLBSA-N -1 1 378.387 1.177 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001575223387 948765253 /nfs/dbraw/zinc/76/52/53/948765253.db2.gz OIEQDRPMAVVVMP-SNVBAGLBSA-N -1 1 378.387 1.177 20 0 GDADMM CC(F)(F)CC(=O)N[C@]12CCC[C@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001575223485 948768264 /nfs/dbraw/zinc/76/82/64/948768264.db2.gz BYWXUNOHGSBPHW-BZNIZROVSA-N -1 1 378.387 1.320 20 0 GDADMM CC(F)(F)CC(=O)N[C@]12CCC[C@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001575223485 948768271 /nfs/dbraw/zinc/76/82/71/948768271.db2.gz BYWXUNOHGSBPHW-BZNIZROVSA-N -1 1 378.387 1.320 20 0 GDADMM CC(C)[C@H](F)C(=O)N[C@@H](C)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001574080112 948782207 /nfs/dbraw/zinc/78/22/07/948782207.db2.gz HHWVRTOPQFSQHU-AAEUAGOBSA-N -1 1 376.440 1.372 20 0 GDADMM CC(C)[C@H](F)C(=O)N[C@@H](C)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001574080112 948782220 /nfs/dbraw/zinc/78/22/20/948782220.db2.gz HHWVRTOPQFSQHU-AAEUAGOBSA-N -1 1 376.440 1.372 20 0 GDADMM CC(C)[C@H](F)C(=O)N[C@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001574080360 948788950 /nfs/dbraw/zinc/78/89/50/948788950.db2.gz PUSWSDXETGZYKQ-AVGNSLFASA-N -1 1 376.440 1.738 20 0 GDADMM CC(C)[C@H](F)C(=O)N[C@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001574080360 948788961 /nfs/dbraw/zinc/78/89/61/948788961.db2.gz PUSWSDXETGZYKQ-AVGNSLFASA-N -1 1 376.440 1.738 20 0 GDADMM CC(F)(F)CC(=O)N1C[C@@H]2CCC[C@]2(CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575224667 948789514 /nfs/dbraw/zinc/78/95/14/948789514.db2.gz PXPWMRZGIYBXSF-GTNSWQLSSA-N -1 1 392.414 1.743 20 0 GDADMM CC(F)(F)CC(=O)N1C[C@@H]2CCC[C@]2(CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575224667 948789530 /nfs/dbraw/zinc/78/95/30/948789530.db2.gz PXPWMRZGIYBXSF-GTNSWQLSSA-N -1 1 392.414 1.743 20 0 GDADMM CC(C)c1ccccc1C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1 ZINC001574419992 948793099 /nfs/dbraw/zinc/79/30/99/948793099.db2.gz NWNPNMUJGZRUTK-KBPBESRZSA-N -1 1 390.451 1.883 20 0 GDADMM CC(C)c1ccccc1C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1 ZINC001574419992 948793110 /nfs/dbraw/zinc/79/31/10/948793110.db2.gz NWNPNMUJGZRUTK-KBPBESRZSA-N -1 1 390.451 1.883 20 0 GDADMM CC(C)c1ccccc1C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574420001 948793362 /nfs/dbraw/zinc/79/33/62/948793362.db2.gz ODWAZSWPGNEOIP-CQSZACIVSA-N -1 1 392.467 1.919 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)COc1ccc(F)cc1 ZINC001574680272 948804962 /nfs/dbraw/zinc/80/49/62/948804962.db2.gz FRIYFUVBLADFKX-LLVKDONJSA-N -1 1 386.391 1.182 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)COc1ccc(F)cc1 ZINC001574680272 948804980 /nfs/dbraw/zinc/80/49/80/948804980.db2.gz FRIYFUVBLADFKX-LLVKDONJSA-N -1 1 386.391 1.182 20 0 GDADMM CC(C)c1ccoc1C(=O)N1CC[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574421405 948818933 /nfs/dbraw/zinc/81/89/33/948818933.db2.gz KDEUWMYHMADHKD-GFCCVEGCSA-N -1 1 382.428 1.724 20 0 GDADMM CC(C)c1ccoc1C(=O)N1CC[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574421405 948818954 /nfs/dbraw/zinc/81/89/54/948818954.db2.gz KDEUWMYHMADHKD-GFCCVEGCSA-N -1 1 382.428 1.724 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cc1ccc(Cl)s1 ZINC001574681793 948821529 /nfs/dbraw/zinc/82/15/29/948821529.db2.gz OESLFYJIRCETSE-VIFPVBQESA-N -1 1 392.876 1.921 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cc1ccc(Cl)s1 ZINC001574681793 948821557 /nfs/dbraw/zinc/82/15/57/948821557.db2.gz OESLFYJIRCETSE-VIFPVBQESA-N -1 1 392.876 1.921 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001574681864 948822586 /nfs/dbraw/zinc/82/25/86/948822586.db2.gz OJYMOZDGPQKUAU-VHDGCEQUSA-N -1 1 378.440 1.767 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001574681864 948822594 /nfs/dbraw/zinc/82/25/94/948822594.db2.gz OJYMOZDGPQKUAU-VHDGCEQUSA-N -1 1 378.440 1.767 20 0 GDADMM CC(F)(F)CC(=O)N1C[C@@H]2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H]2C1 ZINC001575227606 948827861 /nfs/dbraw/zinc/82/78/61/948827861.db2.gz VUCITMRQPRMIBE-TUAOUCFPSA-N -1 1 392.414 1.741 20 0 GDADMM CC(F)(F)CC(=O)N1C[C@@H]2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H]2C1 ZINC001575227606 948827875 /nfs/dbraw/zinc/82/78/75/948827875.db2.gz VUCITMRQPRMIBE-TUAOUCFPSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H](C)Cc1ccccc1 ZINC001574683129 948842970 /nfs/dbraw/zinc/84/29/70/948842970.db2.gz UVKWDWBUVJRJLO-ZIAGYGMSSA-N -1 1 380.456 1.842 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)Cc1ccccc1 ZINC001574683129 948842985 /nfs/dbraw/zinc/84/29/85/948842985.db2.gz UVKWDWBUVJRJLO-ZIAGYGMSSA-N -1 1 380.456 1.842 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1)C(F)F ZINC001573761507 948843870 /nfs/dbraw/zinc/84/38/70/948843870.db2.gz JEROVYKMYWSSEC-JTQLQIEISA-N -1 1 380.403 1.020 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccn(C(C)(C)C)n1 ZINC001574683230 948844569 /nfs/dbraw/zinc/84/45/69/948844569.db2.gz WGJCHIKHNMFXEJ-NSHDSACASA-N -1 1 384.448 1.229 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccn(C(C)(C)C)n1 ZINC001574683230 948844590 /nfs/dbraw/zinc/84/45/90/948844590.db2.gz WGJCHIKHNMFXEJ-NSHDSACASA-N -1 1 384.448 1.229 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cc(C(C)(C)C)on1 ZINC001574683346 948849252 /nfs/dbraw/zinc/84/92/52/948849252.db2.gz XZOCOOWDDDBQDC-JTQLQIEISA-N -1 1 385.432 1.563 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cc(C(C)(C)C)on1 ZINC001574683346 948849266 /nfs/dbraw/zinc/84/92/66/948849266.db2.gz XZOCOOWDDDBQDC-JTQLQIEISA-N -1 1 385.432 1.563 20 0 GDADMM CC(C)(C(=O)N1CC[C@H]2[C@H](CCN2c2cncc(-c3nnn[n-]3)n2)C1)C(F)F ZINC001573763091 948863922 /nfs/dbraw/zinc/86/39/22/948863922.db2.gz AMTGRJMQBYNATJ-PWSUYJOCSA-N -1 1 392.414 1.375 20 0 GDADMM CC(C)(C(=O)N1CC[C@H]2[C@H](CCN2c2cncc(-c3nn[n-]n3)n2)C1)C(F)F ZINC001573763091 948863944 /nfs/dbraw/zinc/86/39/44/948863944.db2.gz AMTGRJMQBYNATJ-PWSUYJOCSA-N -1 1 392.414 1.375 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)CC1(O)CCC1 ZINC001574684495 948871767 /nfs/dbraw/zinc/87/17/67/948871767.db2.gz HLHJHOWLVORDOX-MRVPVSSYSA-N -1 1 385.881 1.588 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)CC1(O)CCC1 ZINC001574684495 948871787 /nfs/dbraw/zinc/87/17/87/948871787.db2.gz HLHJHOWLVORDOX-MRVPVSSYSA-N -1 1 385.881 1.588 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)CC1(O)CCC1 ZINC001574684496 948873418 /nfs/dbraw/zinc/87/34/18/948873418.db2.gz HLHJHOWLVORDOX-QMMMGPOBSA-N -1 1 385.881 1.588 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)CC1(O)CCC1 ZINC001574684496 948873438 /nfs/dbraw/zinc/87/34/38/948873438.db2.gz HLHJHOWLVORDOX-QMMMGPOBSA-N -1 1 385.881 1.588 20 0 GDADMM CC(F)(F)CC(=O)NC[C@H]1CCCCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575231971 948874811 /nfs/dbraw/zinc/87/48/11/948874811.db2.gz CGYBVLZEHMDPPA-LLVKDONJSA-N -1 1 380.403 1.567 20 0 GDADMM C[C@@H](CNC(=O)CCCc1cccs1)CNc1nccnc1-c1nnn[n-]1 ZINC001574919436 948876218 /nfs/dbraw/zinc/87/62/18/948876218.db2.gz ZHGVOVKUIWIVSA-LBPRGKRZSA-N -1 1 386.485 1.905 20 0 GDADMM C[C@@H](CNC(=O)CCCc1cccs1)CNc1nccnc1-c1nn[n-]n1 ZINC001574919436 948876228 /nfs/dbraw/zinc/87/62/28/948876228.db2.gz ZHGVOVKUIWIVSA-LBPRGKRZSA-N -1 1 386.485 1.905 20 0 GDADMM CC(C)c1nc(C(=O)NCC[C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)cs1 ZINC001574425472 948876416 /nfs/dbraw/zinc/87/64/16/948876416.db2.gz FMQNVLHBCUTBLF-JTQLQIEISA-N -1 1 387.473 1.279 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H]2[C@@H](CCN2c2nccnc2-c2nnn[n-]2)C1)C(F)F ZINC001573765048 948900288 /nfs/dbraw/zinc/90/02/88/948900288.db2.gz UXJAJQGRPRNYRB-WDEREUQCSA-N -1 1 392.414 1.375 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H]2[C@@H](CCN2c2nccnc2-c2nn[n-]n2)C1)C(F)F ZINC001573765048 948900300 /nfs/dbraw/zinc/90/03/00/948900300.db2.gz UXJAJQGRPRNYRB-WDEREUQCSA-N -1 1 392.414 1.375 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)c1n[nH]cc1F ZINC001574685088 948902861 /nfs/dbraw/zinc/90/28/61/948902861.db2.gz SDEJYDLKLWCYEF-RXMQYKEDSA-N -1 1 385.816 1.459 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)c1n[nH]cc1F ZINC001574685088 948902875 /nfs/dbraw/zinc/90/28/75/948902875.db2.gz SDEJYDLKLWCYEF-RXMQYKEDSA-N -1 1 385.816 1.459 20 0 GDADMM CC(C)c1ncc(C(=O)N2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)s1 ZINC001574427478 948904025 /nfs/dbraw/zinc/90/40/25/948904025.db2.gz FTCKVUKRZIVNAK-UHFFFAOYSA-N -1 1 385.457 1.199 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@H](C)[C@H](C)Nc2nccnc2-c2nnn[n-]2)s1 ZINC001574427684 948906391 /nfs/dbraw/zinc/90/63/91/948906391.db2.gz KVBDGQRIYHRCDB-VHSXEESVSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@H](C)[C@H](C)Nc2nccnc2-c2nn[n-]n2)s1 ZINC001574427684 948906401 /nfs/dbraw/zinc/90/64/01/948906401.db2.gz KVBDGQRIYHRCDB-VHSXEESVSA-N -1 1 387.473 1.856 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@H]2[C@H](CCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575235224 948917259 /nfs/dbraw/zinc/91/72/59/948917259.db2.gz LTAXLGQCVWBOPS-YPMHNXCESA-N -1 1 392.414 1.519 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@H]2[C@H](CCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575235224 948917274 /nfs/dbraw/zinc/91/72/74/948917274.db2.gz LTAXLGQCVWBOPS-YPMHNXCESA-N -1 1 392.414 1.519 20 0 GDADMM CC(C)c1ncc(C(=O)NCC[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)s1 ZINC001574427857 948919192 /nfs/dbraw/zinc/91/91/92/948919192.db2.gz SQPBINNJYRJBDN-JTQLQIEISA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)c1ncc(C(=O)NCC[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)s1 ZINC001574427857 948919202 /nfs/dbraw/zinc/91/92/02/948919202.db2.gz SQPBINNJYRJBDN-JTQLQIEISA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)(C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C1CCCC1 ZINC001573765669 948921135 /nfs/dbraw/zinc/92/11/35/948921135.db2.gz WIVSEIBZOKRACE-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)(C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C1CCCC1 ZINC001573765669 948921151 /nfs/dbraw/zinc/92/11/51/948921151.db2.gz WIVSEIBZOKRACE-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC(F)(F)CCC(=O)N[C@]12CCC[C@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001575235561 948923581 /nfs/dbraw/zinc/92/35/81/948923581.db2.gz OWVTWVINMIDKKO-PXAZEXFGSA-N -1 1 392.414 1.710 20 0 GDADMM CC(F)(F)CCC(=O)N[C@]12CCC[C@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001575235561 948923595 /nfs/dbraw/zinc/92/35/95/948923595.db2.gz OWVTWVINMIDKKO-PXAZEXFGSA-N -1 1 392.414 1.710 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C1CCCCC1 ZINC001573765847 948926956 /nfs/dbraw/zinc/92/69/56/948926956.db2.gz MZPMRCBLVADEIJ-CQSZACIVSA-N -1 1 384.488 1.698 20 0 GDADMM CC(F)(F)CC(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCCCC1 ZINC001575236002 948931906 /nfs/dbraw/zinc/93/19/06/948931906.db2.gz ZZUDVULFJYOVAT-UHFFFAOYSA-N -1 1 380.403 1.933 20 0 GDADMM CC(F)(F)CC(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCCCC1 ZINC001575236002 948931918 /nfs/dbraw/zinc/93/19/18/948931918.db2.gz ZZUDVULFJYOVAT-UHFFFAOYSA-N -1 1 380.403 1.933 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C(F)F ZINC001573771050 948932186 /nfs/dbraw/zinc/93/21/86/948932186.db2.gz AJKCDXSVCWFSJZ-NXEZZACHSA-N -1 1 380.403 1.067 20 0 GDADMM CC(C)(C(=O)N[C@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2)C1CC1 ZINC001573771046 948933783 /nfs/dbraw/zinc/93/37/83/948933783.db2.gz AGRZUFMZNSTEHJ-ZDUSSCGKSA-N -1 1 382.472 1.568 20 0 GDADMM CC(C)(C(=O)N[C@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2)C1CC1 ZINC001573771046 948933792 /nfs/dbraw/zinc/93/37/92/948933792.db2.gz AGRZUFMZNSTEHJ-ZDUSSCGKSA-N -1 1 382.472 1.568 20 0 GDADMM CC(C)(C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccnc(-c3nn[n-]n3)n1)C2)C1CC1 ZINC001573771115 948936950 /nfs/dbraw/zinc/93/69/50/948936950.db2.gz CDYDJBPBWOIFQG-YUTCNCBUSA-N -1 1 382.472 1.566 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N[C@H](C)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574432718 948937742 /nfs/dbraw/zinc/93/77/42/948937742.db2.gz BYMGHJBCSZNOOM-GHMZBOCLSA-N -1 1 384.448 1.133 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N[C@H](C)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574432718 948937759 /nfs/dbraw/zinc/93/77/59/948937759.db2.gz BYMGHJBCSZNOOM-GHMZBOCLSA-N -1 1 384.448 1.133 20 0 GDADMM CC(F)(F)CCC(=O)NC1(CNc2cncc(-c3nnn[n-]3)n2)CCCC1 ZINC001575236257 948938900 /nfs/dbraw/zinc/93/89/00/948938900.db2.gz YVNZYTQUYQZDNI-UHFFFAOYSA-N -1 1 380.403 1.933 20 0 GDADMM CC(F)(F)CCC(=O)NC1(CNc2cncc(-c3nn[n-]n3)n2)CCCC1 ZINC001575236257 948938911 /nfs/dbraw/zinc/93/89/11/948938911.db2.gz YVNZYTQUYQZDNI-UHFFFAOYSA-N -1 1 380.403 1.933 20 0 GDADMM CC(F)(F)CCC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001575237813 948947272 /nfs/dbraw/zinc/94/72/72/948947272.db2.gz HTXHSQHTMKGUJD-YOGCLGLASA-N -1 1 392.414 1.708 20 0 GDADMM CC(F)(F)CCC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001575237813 948947284 /nfs/dbraw/zinc/94/72/84/948947284.db2.gz HTXHSQHTMKGUJD-YOGCLGLASA-N -1 1 392.414 1.708 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C12CCC2 ZINC001575237836 948947621 /nfs/dbraw/zinc/94/76/21/948947621.db2.gz IKXOOJPZOYOERI-QWRGUYRKSA-N -1 1 392.414 1.931 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C12CCC2 ZINC001575237836 948947632 /nfs/dbraw/zinc/94/76/32/948947632.db2.gz IKXOOJPZOYOERI-QWRGUYRKSA-N -1 1 392.414 1.931 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001575239554 948964467 /nfs/dbraw/zinc/96/44/67/948964467.db2.gz UCIBHKYCVZZNBO-NSHDSACASA-N -1 1 380.403 1.567 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001575239554 948964475 /nfs/dbraw/zinc/96/44/75/948964475.db2.gz UCIBHKYCVZZNBO-NSHDSACASA-N -1 1 380.403 1.567 20 0 GDADMM CC(C)c1ncsc1C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574433756 948964425 /nfs/dbraw/zinc/96/44/25/948964425.db2.gz PFWUZMBXTQXIJT-JTQLQIEISA-N -1 1 385.457 1.563 20 0 GDADMM CC(C)c1ncsc1C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574433756 948964436 /nfs/dbraw/zinc/96/44/36/948964436.db2.gz PFWUZMBXTQXIJT-JTQLQIEISA-N -1 1 385.457 1.563 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001575239552 948964534 /nfs/dbraw/zinc/96/45/34/948964534.db2.gz UCIBHKYCVZZNBO-LLVKDONJSA-N -1 1 380.403 1.567 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001575239552 948964546 /nfs/dbraw/zinc/96/45/46/948964546.db2.gz UCIBHKYCVZZNBO-LLVKDONJSA-N -1 1 380.403 1.567 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001575239832 948965329 /nfs/dbraw/zinc/96/53/29/948965329.db2.gz VVBVKLZYDOLITE-SRVKXCTJSA-N -1 1 392.414 1.566 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@H](C)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574433854 948966976 /nfs/dbraw/zinc/96/69/76/948966976.db2.gz SUAGBAVYJBJPNS-VHSXEESVSA-N -1 1 387.473 1.277 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C1CCCCC1 ZINC001573772833 948967222 /nfs/dbraw/zinc/96/72/22/948967222.db2.gz FZASVCZSUAYDDF-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001575240086 948968214 /nfs/dbraw/zinc/96/82/14/948968214.db2.gz YXLKJEBXKGTQQI-LLVKDONJSA-N -1 1 380.403 1.567 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001575240086 948968224 /nfs/dbraw/zinc/96/82/24/948968224.db2.gz YXLKJEBXKGTQQI-LLVKDONJSA-N -1 1 380.403 1.567 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1 ZINC001575240135 948971717 /nfs/dbraw/zinc/97/17/17/948971717.db2.gz ZYKBHSILCYCEKZ-JLLWLGSASA-N -1 1 378.387 1.318 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1 ZINC001575240135 948971726 /nfs/dbraw/zinc/97/17/26/948971726.db2.gz ZYKBHSILCYCEKZ-JLLWLGSASA-N -1 1 378.387 1.318 20 0 GDADMM CC(C)(C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1)[C@@H]1CCCCO1 ZINC001573774601 949016182 /nfs/dbraw/zinc/01/61/82/949016182.db2.gz ORCUAAPPKJWNOO-ZDUSSCGKSA-N -1 1 386.460 1.313 20 0 GDADMM CC(C)(C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1)[C@@H]1CCCCO1 ZINC001573774601 949016199 /nfs/dbraw/zinc/01/61/99/949016199.db2.gz ORCUAAPPKJWNOO-ZDUSSCGKSA-N -1 1 386.460 1.313 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCOCC1 ZINC001574091435 949016450 /nfs/dbraw/zinc/01/64/50/949016450.db2.gz NBSVABFTNBRMSZ-CHWSQXEVSA-N -1 1 386.460 1.026 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCOCC1 ZINC001574091435 949016509 /nfs/dbraw/zinc/01/65/09/949016509.db2.gz NBSVABFTNBRMSZ-CHWSQXEVSA-N -1 1 386.460 1.026 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)C1(c2cccnc2)CC1 ZINC001574691849 949030780 /nfs/dbraw/zinc/03/07/80/949030780.db2.gz ZAMNLCCXQJWVTK-GFCCVEGCSA-N -1 1 379.428 1.090 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)C1(c2cccnc2)CC1 ZINC001574691849 949030806 /nfs/dbraw/zinc/03/08/06/949030806.db2.gz ZAMNLCCXQJWVTK-GFCCVEGCSA-N -1 1 379.428 1.090 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001574440659 949032098 /nfs/dbraw/zinc/03/20/98/949032098.db2.gz BEVVSQIQWMDFBL-PWSUYJOCSA-N -1 1 383.416 1.165 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001574440659 949032117 /nfs/dbraw/zinc/03/21/17/949032117.db2.gz BEVVSQIQWMDFBL-PWSUYJOCSA-N -1 1 383.416 1.165 20 0 GDADMM CC(C)[C@@H]1C[C@@H](C(=O)N(C)CCN(C)c2cnc(-c3nnn[n-]3)cn2)CCO1 ZINC001574091892 949041854 /nfs/dbraw/zinc/04/18/54/949041854.db2.gz MQVFBFDMCYJTKB-ZFWWWQNUSA-N -1 1 388.476 1.003 20 0 GDADMM CC(C)[C@@H]1C[C@@H](C(=O)N(C)CCN(C)c2cnc(-c3nn[n-]n3)cn2)CCO1 ZINC001574091892 949041869 /nfs/dbraw/zinc/04/18/69/949041869.db2.gz MQVFBFDMCYJTKB-ZFWWWQNUSA-N -1 1 388.476 1.003 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)CCCc1ccccc1 ZINC001574693129 949047885 /nfs/dbraw/zinc/04/78/85/949047885.db2.gz AQZYLZGRNDFERO-AWEZNQCLSA-N -1 1 380.456 1.986 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)CCCc1ccccc1 ZINC001574693129 949047908 /nfs/dbraw/zinc/04/79/08/949047908.db2.gz AQZYLZGRNDFERO-AWEZNQCLSA-N -1 1 380.456 1.986 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574441155 949052385 /nfs/dbraw/zinc/05/23/85/949052385.db2.gz GCXNUAMSNBRYNW-XYPYZODXSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574441155 949052408 /nfs/dbraw/zinc/05/24/08/949052408.db2.gz GCXNUAMSNBRYNW-XYPYZODXSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCCCN1c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001573779439 949062282 /nfs/dbraw/zinc/06/22/82/949062282.db2.gz HZBZDIDFIDMDDG-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCCCN1c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001573779439 949062297 /nfs/dbraw/zinc/06/22/97/949062297.db2.gz HZBZDIDFIDMDDG-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001574092572 949068021 /nfs/dbraw/zinc/06/80/21/949068021.db2.gz OTYJCCKLEFNZFA-BARDWOONSA-N -1 1 382.472 1.519 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001574092572 949068040 /nfs/dbraw/zinc/06/80/40/949068040.db2.gz OTYJCCKLEFNZFA-BARDWOONSA-N -1 1 382.472 1.519 20 0 GDADMM C[C@H](NC(=O)C1(C(F)F)CCCC1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575249021 949082356 /nfs/dbraw/zinc/08/23/56/949082356.db2.gz ANBHVPZEAUSSMP-UWVGGRQHSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@H](NC(=O)C1(C(F)F)CCCC1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575249021 949082377 /nfs/dbraw/zinc/08/23/77/949082377.db2.gz ANBHVPZEAUSSMP-UWVGGRQHSA-N -1 1 380.403 1.787 20 0 GDADMM CC(C)(C(=O)NCC1CCN(c2nccnc2-c2nnn[n-]2)CC1)C1CCC1 ZINC001573780320 949089744 /nfs/dbraw/zinc/08/97/44/949089744.db2.gz WDEFLJDLVMKEBL-UHFFFAOYSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C(=O)NCC1CCN(c2nccnc2-c2nn[n-]n2)CC1)C1CCC1 ZINC001573780320 949089769 /nfs/dbraw/zinc/08/97/69/949089769.db2.gz WDEFLJDLVMKEBL-UHFFFAOYSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](CNC(=O)COC1CCCC1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574930271 949107074 /nfs/dbraw/zinc/10/70/74/949107074.db2.gz KJSFXYZSIPYSCQ-QMMMGPOBSA-N -1 1 385.881 1.852 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cnn(C(C)(C)C)c1 ZINC001574695606 949115536 /nfs/dbraw/zinc/11/55/36/949115536.db2.gz IWEOKJKHCMWYCW-NSHDSACASA-N -1 1 384.448 1.229 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cnn(C(C)(C)C)c1 ZINC001574695606 949115549 /nfs/dbraw/zinc/11/55/49/949115549.db2.gz IWEOKJKHCMWYCW-NSHDSACASA-N -1 1 384.448 1.229 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1coc(C(F)F)c1 ZINC001574696267 949128315 /nfs/dbraw/zinc/12/83/15/949128315.db2.gz OXTDTAYNNWBYSY-QMMMGPOBSA-N -1 1 378.343 1.808 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1coc(C(F)F)c1 ZINC001574696267 949128329 /nfs/dbraw/zinc/12/83/29/949128329.db2.gz OXTDTAYNNWBYSY-QMMMGPOBSA-N -1 1 378.343 1.808 20 0 GDADMM CC(C)c1occc1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574446375 949128664 /nfs/dbraw/zinc/12/86/64/949128664.db2.gz NSGXVGMKPBUECE-GFCCVEGCSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1occc1C(=O)NCC1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574446797 949136599 /nfs/dbraw/zinc/13/65/99/949136599.db2.gz WSMOVUUBBSXKOI-UHFFFAOYSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1occc1C(=O)NCC1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574446797 949136604 /nfs/dbraw/zinc/13/66/04/949136604.db2.gz WSMOVUUBBSXKOI-UHFFFAOYSA-N -1 1 382.428 1.994 20 0 GDADMM C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1C[C@@H](c2cnn(C)c2)C[C@H](C(=O)[O-])C1 ZINC001602793059 971553088 /nfs/dbraw/zinc/55/30/88/971553088.db2.gz OPCSOYCSPFUQMS-SNPRPXQTSA-N -1 1 399.451 1.036 20 0 GDADMM C[C@@H](NC(=O)C1(CF)CCC1)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575251779 949147847 /nfs/dbraw/zinc/14/78/47/949147847.db2.gz CRMSOPJEGUFWSV-OLZOCXBDSA-N -1 1 388.451 1.518 20 0 GDADMM C[C@@H](NC(=O)C1(CF)CCC1)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575251779 949147858 /nfs/dbraw/zinc/14/78/58/949147858.db2.gz CRMSOPJEGUFWSV-OLZOCXBDSA-N -1 1 388.451 1.518 20 0 GDADMM CC(C)c1ocnc1C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCC1 ZINC001574446976 949149897 /nfs/dbraw/zinc/14/98/97/949149897.db2.gz DSTILAMZYJNUII-UHFFFAOYSA-N -1 1 383.416 1.533 20 0 GDADMM CC(C)c1ocnc1C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCC1 ZINC001574446976 949149915 /nfs/dbraw/zinc/14/99/15/949149915.db2.gz DSTILAMZYJNUII-UHFFFAOYSA-N -1 1 383.416 1.533 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1CCCCC1 ZINC001573786873 949150115 /nfs/dbraw/zinc/15/01/15/949150115.db2.gz AMPQEWWSLHNJEL-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1CCCCC1 ZINC001573786873 949150132 /nfs/dbraw/zinc/15/01/32/949150132.db2.gz AMPQEWWSLHNJEL-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CNC(=O)COc1ccc(Cl)cc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574934138 949151194 /nfs/dbraw/zinc/15/11/94/949151194.db2.gz CDCUIJPSXLECDB-JTQLQIEISA-N -1 1 388.819 1.306 20 0 GDADMM C[C@@H](CNC(=O)COc1ccc(Cl)cc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574934138 949151202 /nfs/dbraw/zinc/15/12/02/949151202.db2.gz CDCUIJPSXLECDB-JTQLQIEISA-N -1 1 388.819 1.306 20 0 GDADMM C[C@@H](NC(=O)C1(C(F)(F)F)CCC1)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575251866 949152391 /nfs/dbraw/zinc/15/23/91/949152391.db2.gz OTWSAABBYVAGHK-RKDXNWHRSA-N -1 1 384.366 1.116 20 0 GDADMM CC(C)[C@H]1C[C@@H](C(=O)NCC2(Nc3cncc(-c4nnn[n-]4)n3)CC2)CCO1 ZINC001574095796 949152700 /nfs/dbraw/zinc/15/27/00/949152700.db2.gz ZCYOGHVKNHBYER-GXTWGEPZSA-N -1 1 386.460 1.169 20 0 GDADMM CC(C)[C@H]1C[C@@H](C(=O)NCC2(Nc3cncc(-c4nn[n-]n4)n3)CC2)CCO1 ZINC001574095796 949152709 /nfs/dbraw/zinc/15/27/09/949152709.db2.gz ZCYOGHVKNHBYER-GXTWGEPZSA-N -1 1 386.460 1.169 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)NC1(CNc2nccnc2-c2nnn[n-]2)CCOCC1 ZINC001574095942 949156978 /nfs/dbraw/zinc/15/69/78/949156978.db2.gz ZTCJNHBAIMHJFB-STQMWFEESA-N -1 1 386.460 1.026 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)NC1(CNc2nccnc2-c2nn[n-]n2)CCOCC1 ZINC001574095942 949156991 /nfs/dbraw/zinc/15/69/91/949156991.db2.gz ZTCJNHBAIMHJFB-STQMWFEESA-N -1 1 386.460 1.026 20 0 GDADMM C[C@@H](NC(=O)C1(c2ccccc2)CC1)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575253164 949182475 /nfs/dbraw/zinc/18/24/75/949182475.db2.gz IZOGJWGFMFGMAM-QWHCGFSZSA-N -1 1 378.440 1.116 20 0 GDADMM CC(C)CC(=O)N(C)C[C@H](O)CN(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574099706 949183830 /nfs/dbraw/zinc/18/38/30/949183830.db2.gz NVMMQTUDMWGBQA-VIFPVBQESA-N -1 1 387.897 1.278 20 0 GDADMM C[C@@H](NC(=O)C1(C)CCCC1)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575253695 949193601 /nfs/dbraw/zinc/19/36/01/949193601.db2.gz LGPPSRLDXRTVRG-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](NC(=O)C1(C)CCCC1)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575253695 949193613 /nfs/dbraw/zinc/19/36/13/949193613.db2.gz LGPPSRLDXRTVRG-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CNC(=O)C[C@H]1CCOC1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574935410 949199924 /nfs/dbraw/zinc/19/99/24/949199924.db2.gz BQOHLARPJSOCSD-DTWKUNHWSA-N -1 1 385.881 1.344 20 0 GDADMM C[C@@H](CNC(=O)Cc1cc(F)ccc1F)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574935611 949203812 /nfs/dbraw/zinc/20/38/12/949203812.db2.gz DKSNWOBPXFVBJR-SNVBAGLBSA-N -1 1 388.382 1.342 20 0 GDADMM C[C@@H](CNC(=O)Cc1cc(F)ccc1F)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574935611 949203831 /nfs/dbraw/zinc/20/38/31/949203831.db2.gz DKSNWOBPXFVBJR-SNVBAGLBSA-N -1 1 388.382 1.342 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(Cl)cc1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574937647 949226428 /nfs/dbraw/zinc/22/64/28/949226428.db2.gz OZODPIFUXGRQTH-NSHDSACASA-N -1 1 386.847 1.494 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(Cl)cc1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574937647 949226445 /nfs/dbraw/zinc/22/64/45/949226445.db2.gz OZODPIFUXGRQTH-NSHDSACASA-N -1 1 386.847 1.494 20 0 GDADMM CC(C)c1scnc1C(=O)NC[C@@H](C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574451295 949228926 /nfs/dbraw/zinc/22/89/26/949228926.db2.gz LHQYTFUQEZPODO-SNVBAGLBSA-N -1 1 387.473 1.491 20 0 GDADMM CC(C)c1scnc1C(=O)NC[C@@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574451295 949228946 /nfs/dbraw/zinc/22/89/46/949228946.db2.gz LHQYTFUQEZPODO-SNVBAGLBSA-N -1 1 387.473 1.491 20 0 GDADMM CC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CC1 ZINC001575854450 949232260 /nfs/dbraw/zinc/23/22/60/949232260.db2.gz XPXAMXBADVGJFC-NHAGDIPZSA-N -1 1 382.472 1.308 20 0 GDADMM C[C@H](NC(=O)C1(CCF)CC1)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575255429 949233588 /nfs/dbraw/zinc/23/35/88/949233588.db2.gz QBVMSIWFKTVFQA-STQMWFEESA-N -1 1 388.451 1.518 20 0 GDADMM C[C@H](NC(=O)C1(CCF)CC1)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575256491 949254477 /nfs/dbraw/zinc/25/44/77/949254477.db2.gz VVVCZHWQBIIGPC-QWHCGFSZSA-N -1 1 388.451 1.518 20 0 GDADMM C[C@H](NC(=O)C1(CCF)CC1)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575256491 949254490 /nfs/dbraw/zinc/25/44/90/949254490.db2.gz VVVCZHWQBIIGPC-QWHCGFSZSA-N -1 1 388.451 1.518 20 0 GDADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001575857412 949263562 /nfs/dbraw/zinc/26/35/62/949263562.db2.gz QJGDICDAXBQPMT-MJBXVCDLSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001575857412 949263578 /nfs/dbraw/zinc/26/35/78/949263578.db2.gz QJGDICDAXBQPMT-MJBXVCDLSA-N -1 1 382.472 1.886 20 0 GDADMM CC(C)CC(=O)N1CCCN(C(=O)NCc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001574106052 949265839 /nfs/dbraw/zinc/26/58/39/949265839.db2.gz CRPUJTXGGMYTMC-UHFFFAOYSA-N -1 1 391.501 1.718 20 0 GDADMM C[C@@H](CN(C)C(=O)C1(c2ccccc2)CC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574701592 949265872 /nfs/dbraw/zinc/26/58/72/949265872.db2.gz CJDZGQXJIYRDFA-ZDUSSCGKSA-N -1 1 378.440 1.647 20 0 GDADMM C[C@@H](CN(C)C(=O)C1(c2ccccc2)CC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574701592 949265883 /nfs/dbraw/zinc/26/58/83/949265883.db2.gz CJDZGQXJIYRDFA-ZDUSSCGKSA-N -1 1 378.440 1.647 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(C2CC2)c1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574940715 949272113 /nfs/dbraw/zinc/27/21/13/949272113.db2.gz ISALGTHVVKJKDJ-CYBMUJFWSA-N -1 1 392.467 1.718 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(C2CC2)c1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574940715 949272127 /nfs/dbraw/zinc/27/21/27/949272127.db2.gz ISALGTHVVKJKDJ-CYBMUJFWSA-N -1 1 392.467 1.718 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccccc1Cl)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574940722 949275057 /nfs/dbraw/zinc/27/50/57/949275057.db2.gz IWRZUUXVEVGRKX-NSHDSACASA-N -1 1 386.847 1.494 20 0 GDADMM C[C@H]1CCC[C@H](OCC(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001576153337 949278793 /nfs/dbraw/zinc/27/87/93/949278793.db2.gz LYGWFVXQFDKVPR-FQUUOJAGSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@H]1CCC[C@H](OCC(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001576153337 949278819 /nfs/dbraw/zinc/27/88/19/949278819.db2.gz LYGWFVXQFDKVPR-FQUUOJAGSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccon1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574941410 949301405 /nfs/dbraw/zinc/30/14/05/949301405.db2.gz DFHRWTKGYYLLAG-ZETCQYMHSA-N -1 1 382.837 1.148 20 0 GDADMM CC(C)(C)C(=O)N1CCOC2(CN(Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001573794724 949316024 /nfs/dbraw/zinc/31/60/24/949316024.db2.gz IOEHLYNQRNVPFC-UHFFFAOYSA-N -1 1 376.486 1.388 20 0 GDADMM CC(C)n1ccc(C(=O)N2CC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001574457302 949321141 /nfs/dbraw/zinc/32/11/41/949321141.db2.gz FUSHMRULEGRZQO-GFCCVEGCSA-N -1 1 382.432 1.008 20 0 GDADMM CC(C)n1ccc(C(=O)N2CC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001574457302 949321161 /nfs/dbraw/zinc/32/11/61/949321161.db2.gz FUSHMRULEGRZQO-GFCCVEGCSA-N -1 1 382.432 1.008 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cnco1 ZINC001576154189 949322410 /nfs/dbraw/zinc/32/24/10/949322410.db2.gz CIXZUVHLLVBBMA-PIGZYNQJSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cnco1 ZINC001576154189 949322432 /nfs/dbraw/zinc/32/24/32/949322432.db2.gz CIXZUVHLLVBBMA-PIGZYNQJSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccnc1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001574941835 949322567 /nfs/dbraw/zinc/32/25/67/949322567.db2.gz TXQOGTCSABIFOL-VIFPVBQESA-N -1 1 392.876 1.555 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccnc1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001574941835 949322587 /nfs/dbraw/zinc/32/25/87/949322587.db2.gz TXQOGTCSABIFOL-VIFPVBQESA-N -1 1 392.876 1.555 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@]1(C)CCc2ccccc21)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574703399 949326005 /nfs/dbraw/zinc/32/60/05/949326005.db2.gz VRKLBBCGZFHIBI-RBZFPXEDSA-N -1 1 392.467 1.820 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@]1(C)CCc2ccccc21)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574703399 949326026 /nfs/dbraw/zinc/32/60/26/949326026.db2.gz VRKLBBCGZFHIBI-RBZFPXEDSA-N -1 1 392.467 1.820 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc2c(c1)CCCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574942161 949340752 /nfs/dbraw/zinc/34/07/52/949340752.db2.gz WRBNZZANODXZMW-CYBMUJFWSA-N -1 1 392.467 1.695 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc2c(c1)CCCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574942161 949340773 /nfs/dbraw/zinc/34/07/73/949340773.db2.gz WRBNZZANODXZMW-CYBMUJFWSA-N -1 1 392.467 1.695 20 0 GDADMM C[C@@H]1C(=O)Nc2cc(C(=O)NCc3ccc(-c4nn[n-]n4)s3)ccc2N1C ZINC001575863804 949354519 /nfs/dbraw/zinc/35/45/19/949354519.db2.gz FQFFLAXVPKCUSA-SECBINFHSA-N -1 1 383.437 1.635 20 0 GDADMM C[C@H]1C(=O)Nc2cc(C(=O)NCc3ccc(-c4nn[n-]n4)s3)ccc2N1C ZINC001575863805 949356013 /nfs/dbraw/zinc/35/60/13/949356013.db2.gz FQFFLAXVPKCUSA-VIFPVBQESA-N -1 1 383.437 1.635 20 0 GDADMM CC(C)n1cccc1C(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574464249 949403842 /nfs/dbraw/zinc/40/38/42/949403842.db2.gz HQVZPOAJBPCHBH-ZDUSSCGKSA-N -1 1 381.444 1.756 20 0 GDADMM CC(C)n1cccc1C(=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574464249 949403855 /nfs/dbraw/zinc/40/38/55/949403855.db2.gz HQVZPOAJBPCHBH-ZDUSSCGKSA-N -1 1 381.444 1.756 20 0 GDADMM CC1(C(=O)N2CC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)CC(F)(F)C1 ZINC001575533726 949420092 /nfs/dbraw/zinc/42/00/92/949420092.db2.gz IMHXNDRXSGGNFN-SNVBAGLBSA-N -1 1 378.387 1.353 20 0 GDADMM CC1(C(=O)N2CC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)CC(F)(F)C1 ZINC001575533726 949420105 /nfs/dbraw/zinc/42/01/05/949420105.db2.gz IMHXNDRXSGGNFN-SNVBAGLBSA-N -1 1 378.387 1.353 20 0 GDADMM C[C@@H](CNC(=O)Cc1cncs1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574945949 949425711 /nfs/dbraw/zinc/42/57/11/949425711.db2.gz PXGUBLDJRMPMEL-LURJTMIESA-N -1 1 384.878 1.592 20 0 GDADMM C[C@@H](CNC(=O)Cc1cncs1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574945949 949425720 /nfs/dbraw/zinc/42/57/20/949425720.db2.gz PXGUBLDJRMPMEL-LURJTMIESA-N -1 1 384.878 1.592 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCCC1(F)F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574705599 949435598 /nfs/dbraw/zinc/43/55/98/949435598.db2.gz JCKYRDSVIHPIIT-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCCC1(F)F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574705599 949435607 /nfs/dbraw/zinc/43/56/07/949435607.db2.gz JCKYRDSVIHPIIT-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)n1cnc(C(=O)N[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C2CC2)c1 ZINC001574465481 949438957 /nfs/dbraw/zinc/43/89/57/949438957.db2.gz ZEIMBPZKVVOLHB-ZDUSSCGKSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cnc(C(=O)N[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C2CC2)c1 ZINC001574465481 949438966 /nfs/dbraw/zinc/43/89/66/949438966.db2.gz ZEIMBPZKVVOLHB-ZDUSSCGKSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cnc(C(=O)NC2CC(CNc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001574465439 949440187 /nfs/dbraw/zinc/44/01/87/949440187.db2.gz YISAGDJCOVVUCB-UHFFFAOYSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cnc(C(=O)NC2CC(CNc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001574465439 949440204 /nfs/dbraw/zinc/44/02/04/949440204.db2.gz YISAGDJCOVVUCB-UHFFFAOYSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@@H]1CCC[C@@H]1CC(=O)N1CCC(N(C)c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001576156640 949455828 /nfs/dbraw/zinc/45/58/28/949455828.db2.gz NUCPQAHIESIZOC-ZIAGYGMSSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCC[C@@H]1CC(=O)N1CCC(N(C)c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001576156640 949455843 /nfs/dbraw/zinc/45/58/43/949455843.db2.gz NUCPQAHIESIZOC-ZIAGYGMSSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)n1nccc1C(=O)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574468060 949458193 /nfs/dbraw/zinc/45/81/93/949458193.db2.gz GRBJRNRCUZICMG-UHFFFAOYSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1nccc1C(=O)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574468060 949458212 /nfs/dbraw/zinc/45/82/12/949458212.db2.gz GRBJRNRCUZICMG-UHFFFAOYSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2(C)CC(F)(F)C2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575868724 949461535 /nfs/dbraw/zinc/46/15/35/949461535.db2.gz OPHIOTAJSWWREK-MNOVXSKESA-N -1 1 392.414 1.566 20 0 GDADMM CC1(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CCC(F)(F)CC1 ZINC001575536508 949470696 /nfs/dbraw/zinc/47/06/96/949470696.db2.gz IIKYUIYLKPJPQN-NSHDSACASA-N -1 1 392.414 1.885 20 0 GDADMM CC1(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CCC(F)(F)CC1 ZINC001575536508 949470712 /nfs/dbraw/zinc/47/07/12/949470712.db2.gz IIKYUIYLKPJPQN-NSHDSACASA-N -1 1 392.414 1.885 20 0 GDADMM C[C@@H]1CCC[C@H]1CC(=O)NCCC1(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576157096 949472334 /nfs/dbraw/zinc/47/23/34/949472334.db2.gz PMPSHXIGPWHYLC-KGLIPLIRSA-N -1 1 384.488 1.603 20 0 GDADMM CC1(C(=O)N2CCC3(CCN(c4ccc(-c5nnn[n-]5)nn4)C3)CC2)CCC1 ZINC001575536921 949481422 /nfs/dbraw/zinc/48/14/22/949481422.db2.gz OXNOPAYABZQUIB-UHFFFAOYSA-N -1 1 382.472 1.666 20 0 GDADMM CC1(C(=O)N2CCC3(CCN(c4ccc(-c5nn[n-]n5)nn4)C3)CC2)CCC1 ZINC001575536921 949481430 /nfs/dbraw/zinc/48/14/30/949481430.db2.gz OXNOPAYABZQUIB-UHFFFAOYSA-N -1 1 382.472 1.666 20 0 GDADMM C[C@H]1[C@@H](C(=O)NCc2ccnc(-c3nnn[n-]3)c2)CCN1C(=O)OC(C)(C)C ZINC001575870329 949486734 /nfs/dbraw/zinc/48/67/34/949486734.db2.gz UZJLGWNZPJTPAE-AAEUAGOBSA-N -1 1 387.444 1.523 20 0 GDADMM C[C@H]1[C@@H](C(=O)NCc2ccnc(-c3nn[n-]n3)c2)CCN1C(=O)OC(C)(C)C ZINC001575870329 949486745 /nfs/dbraw/zinc/48/67/45/949486745.db2.gz UZJLGWNZPJTPAE-AAEUAGOBSA-N -1 1 387.444 1.523 20 0 GDADMM C[C@@]1(C(=O)N2CC[C@@H](Nc3nc(-c4nn[n-]n4)c(Cl)s3)C2)CCOC1 ZINC001575537170 949490337 /nfs/dbraw/zinc/49/03/37/949490337.db2.gz SHRUIZKHTBHRIK-XLKFXECMSA-N -1 1 383.865 1.416 20 0 GDADMM CC(C)(C)C(=O)Nc1ccc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)cn1 ZINC001573806778 949492641 /nfs/dbraw/zinc/49/26/41/949492641.db2.gz VRHOFKAARUNDAR-UHFFFAOYSA-N -1 1 386.441 1.633 20 0 GDADMM CC(C)(C)C(=O)Nc1ccc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)cn1 ZINC001573806778 949492652 /nfs/dbraw/zinc/49/26/52/949492652.db2.gz VRHOFKAARUNDAR-UHFFFAOYSA-N -1 1 386.441 1.633 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1Cc2ccc(F)cc21)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574710912 949516006 /nfs/dbraw/zinc/51/60/06/949516006.db2.gz BUTXNCMNFQGQON-IINYFYTJSA-N -1 1 382.403 1.395 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1Cc2ccc(F)cc21)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574710912 949516026 /nfs/dbraw/zinc/51/60/26/949516026.db2.gz BUTXNCMNFQGQON-IINYFYTJSA-N -1 1 382.403 1.395 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2(F)CCCCC2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575871637 949520725 /nfs/dbraw/zinc/52/07/25/949520725.db2.gz BMVUQHLOECSPNR-OLZOCXBDSA-N -1 1 388.451 1.803 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2(F)CCCCC2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575871637 949520749 /nfs/dbraw/zinc/52/07/49/949520749.db2.gz BMVUQHLOECSPNR-OLZOCXBDSA-N -1 1 388.451 1.803 20 0 GDADMM C[C@@H](NC(=O)CCC1(C)CC1)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575268731 949526616 /nfs/dbraw/zinc/52/66/16/949526616.db2.gz OLGRLYKYNBOBCP-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCC[C@@H]1CC(=O)NC1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576160169 949532614 /nfs/dbraw/zinc/53/26/14/949532614.db2.gz ZXOLQAADYRVLJD-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCC[C@@H]1CC(=O)NC1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576160169 949532629 /nfs/dbraw/zinc/53/26/29/949532629.db2.gz ZXOLQAADYRVLJD-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CNC(=O)NCc1ccc(-c2nn[n-]n2)s1)NC(=O)OC(C)(C)C ZINC001574950372 949536075 /nfs/dbraw/zinc/53/60/75/949536075.db2.gz NFFVJDNPOGHIJZ-VIFPVBQESA-N -1 1 381.462 1.641 20 0 GDADMM C[C@H]1CCCN(C(=O)C2CC(C)(C)C2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576164907 949560340 /nfs/dbraw/zinc/56/03/40/949560340.db2.gz IFZXBNNOXXFRDN-JSGCOSHPSA-N -1 1 384.488 1.554 20 0 GDADMM C[C@]1(C(=O)N2CCC[C@H](CNc3nccnc3-c3nnn[n-]3)C2)CCCOC1 ZINC001575539879 949563498 /nfs/dbraw/zinc/56/34/98/949563498.db2.gz USFQMDJPGXBCBN-ACJLOTCBSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@]1(C(=O)N2CCC[C@H](CNc3nccnc3-c3nn[n-]n3)C2)CCCOC1 ZINC001575539879 949563521 /nfs/dbraw/zinc/56/35/21/949563521.db2.gz USFQMDJPGXBCBN-ACJLOTCBSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@@H]1CCCN(C(=O)C(=O)C(C)(C)C)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576165348 949567390 /nfs/dbraw/zinc/56/73/90/949567390.db2.gz JTCALMWSPGIEFN-DGCLKSJQSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H]1CCCN(C(=O)C(=O)C(C)(C)C)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576165348 949567407 /nfs/dbraw/zinc/56/74/07/949567407.db2.gz JTCALMWSPGIEFN-DGCLKSJQSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2CCCCC2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576165970 949572072 /nfs/dbraw/zinc/57/20/72/949572072.db2.gz KREGWEYOKOZWQO-UKRRQHHQSA-N -1 1 384.488 1.698 20 0 GDADMM CC(C)C[C@H](C(=O)N[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1)n1ccnc1 ZINC001574125216 949584347 /nfs/dbraw/zinc/58/43/47/949584347.db2.gz OGFUWXFDUXTTOQ-TZMCWYRMSA-N -1 1 384.448 1.057 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2C=CC=CC=C2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575873737 949585165 /nfs/dbraw/zinc/58/51/65/949585165.db2.gz PXXOGKXNTQHCRY-HIFRSBDPSA-N -1 1 378.440 1.429 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2C=CC=CC=C2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575873737 949585180 /nfs/dbraw/zinc/58/51/80/949585180.db2.gz PXXOGKXNTQHCRY-HIFRSBDPSA-N -1 1 378.440 1.429 20 0 GDADMM CC1(C(=O)N2CCCC[C@@]3(CCN(c4nccnc4-c4nnn[n-]4)C3)C2)CC1 ZINC001575544484 949588204 /nfs/dbraw/zinc/58/82/04/949588204.db2.gz DHIRTWJVIWSSJK-IBGZPJMESA-N -1 1 382.472 1.666 20 0 GDADMM CC1(C(=O)N2CCCC[C@@]3(CCN(c4nccnc4-c4nn[n-]n4)C3)C2)CC1 ZINC001575544484 949588222 /nfs/dbraw/zinc/58/82/22/949588222.db2.gz DHIRTWJVIWSSJK-IBGZPJMESA-N -1 1 382.472 1.666 20 0 GDADMM CC(C)C[C@@H](C(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1)n1ccnc1 ZINC001574126077 949602207 /nfs/dbraw/zinc/60/22/07/949602207.db2.gz YYTYTJGSODMJQO-AWEZNQCLSA-N -1 1 384.448 1.011 20 0 GDADMM CC(C)C[C@@H](C(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574126077 949602215 /nfs/dbraw/zinc/60/22/15/949602215.db2.gz YYTYTJGSODMJQO-AWEZNQCLSA-N -1 1 384.448 1.011 20 0 GDADMM C[C@H](CC(=O)N(C)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccco1 ZINC001574476909 949630901 /nfs/dbraw/zinc/63/09/01/949630901.db2.gz LUHBCDHMJRBOSP-OLZOCXBDSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@H](CC(=O)N(C)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574476909 949630919 /nfs/dbraw/zinc/63/09/19/949630919.db2.gz LUHBCDHMJRBOSP-OLZOCXBDSA-N -1 1 382.428 1.481 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ccccc1O ZINC001573814299 949637890 /nfs/dbraw/zinc/63/78/90/949637890.db2.gz DBSPFENJQHXMCO-CQSZACIVSA-N -1 1 382.428 1.619 20 0 GDADMM CC1(C(=O)N2CCO[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)CCCCC1 ZINC001575547728 949638211 /nfs/dbraw/zinc/63/82/11/949638211.db2.gz FQNOGKUKXNJIHH-ZDUSSCGKSA-N -1 1 386.460 1.266 20 0 GDADMM CC1(C(=O)N2CCO[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)CCCCC1 ZINC001575547728 949638223 /nfs/dbraw/zinc/63/82/23/949638223.db2.gz FQNOGKUKXNJIHH-ZDUSSCGKSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1)CC(C)(C)C ZINC001574477134 949639840 /nfs/dbraw/zinc/63/98/40/949639840.db2.gz OTLSUUBNYAQYAU-STQMWFEESA-N -1 1 390.492 1.350 20 0 GDADMM C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1)CC(C)(C)C ZINC001574477134 949639849 /nfs/dbraw/zinc/63/98/49/949639849.db2.gz OTLSUUBNYAQYAU-STQMWFEESA-N -1 1 390.492 1.350 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@H]1CCCO1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574715173 949642109 /nfs/dbraw/zinc/64/21/09/949642109.db2.gz HHLXMQUYLIPKRM-RKDXNWHRSA-N -1 1 385.881 1.805 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CC12CCCC2 ZINC001573815208 949648695 /nfs/dbraw/zinc/64/86/95/949648695.db2.gz GWCFMQVHRBPROF-CHWSQXEVSA-N -1 1 384.488 1.602 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@H]1CCCCO1 ZINC001573815878 949661700 /nfs/dbraw/zinc/66/17/00/949661700.db2.gz LDQIUHRVNMQUKF-OCCSQVGLSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@H]1CCCCO1 ZINC001573815878 949661716 /nfs/dbraw/zinc/66/17/16/949661716.db2.gz LDQIUHRVNMQUKF-OCCSQVGLSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCC1(F)F ZINC001573816155 949671894 /nfs/dbraw/zinc/67/18/94/949671894.db2.gz PEEZQESALNTYTJ-UWVGGRQHSA-N -1 1 380.403 1.067 20 0 GDADMM C[C@]1(C(=O)N2CCN(c3snc(Cl)c3-c3nnn[n-]3)CC2)CCOC1 ZINC001575548356 949672672 /nfs/dbraw/zinc/67/26/72/949672672.db2.gz YBDFGFFTPJFEFS-AWEZNQCLSA-N -1 1 383.865 1.052 20 0 GDADMM C[C@]1(C(=O)N2CCN(c3snc(Cl)c3-c3nn[n-]n3)CC2)CCOC1 ZINC001575548356 949672681 /nfs/dbraw/zinc/67/26/81/949672681.db2.gz YBDFGFFTPJFEFS-AWEZNQCLSA-N -1 1 383.865 1.052 20 0 GDADMM C[C@@H](CNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574958608 949679642 /nfs/dbraw/zinc/67/96/42/949679642.db2.gz UMFVFQQCNLVYIA-RCDCFZSISA-N -1 1 392.467 1.437 20 0 GDADMM CC(C)CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1 ZINC001574132206 949682628 /nfs/dbraw/zinc/68/26/28/949682628.db2.gz SRZBJHDLFNZUDO-IPYPFGDCSA-N -1 1 384.488 1.955 20 0 GDADMM CC(C)CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1 ZINC001574132206 949682635 /nfs/dbraw/zinc/68/26/35/949682635.db2.gz SRZBJHDLFNZUDO-IPYPFGDCSA-N -1 1 384.488 1.955 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574958793 949693669 /nfs/dbraw/zinc/69/36/69/949693669.db2.gz NMZXYLPFEFAPHZ-AEGPPILISA-N -1 1 378.440 1.401 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574958793 949693683 /nfs/dbraw/zinc/69/36/83/949693683.db2.gz NMZXYLPFEFAPHZ-AEGPPILISA-N -1 1 378.440 1.401 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)Cc1cscn1 ZINC001573817185 949698415 /nfs/dbraw/zinc/69/84/15/949698415.db2.gz YNAMAQWXGDJKNP-GFCCVEGCSA-N -1 1 387.473 1.299 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)Cc1cscn1 ZINC001573817185 949698427 /nfs/dbraw/zinc/69/84/27/949698427.db2.gz YNAMAQWXGDJKNP-GFCCVEGCSA-N -1 1 387.473 1.299 20 0 GDADMM C[C@@H]1CCCN(C(=O)Cc2ccoc2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576170339 949715397 /nfs/dbraw/zinc/71/53/97/949715397.db2.gz KJCJGTUYIASJGY-DOMZBBRYSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@@H]1CCCN(C(=O)Cc2ccoc2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576170339 949715419 /nfs/dbraw/zinc/71/54/19/949715419.db2.gz KJCJGTUYIASJGY-DOMZBBRYSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@H]1CCCC[C@H]1CC(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576170597 949730725 /nfs/dbraw/zinc/73/07/25/949730725.db2.gz MCWMUKMAXMEJSJ-ZQDZILKHSA-N -1 1 384.488 1.602 20 0 GDADMM CC1(C(=O)N[C@@H](CNc2nccnc2-c2nnn[n-]2)C2CC2)CC(F)(F)C1 ZINC001575558477 949736739 /nfs/dbraw/zinc/73/67/39/949736739.db2.gz PZPSRKQYFVMPJC-JTQLQIEISA-N -1 1 378.387 1.399 20 0 GDADMM CC1(C(=O)N[C@@H](CNc2nccnc2-c2nn[n-]n2)C2CC2)CC(F)(F)C1 ZINC001575558477 949736759 /nfs/dbraw/zinc/73/67/59/949736759.db2.gz PZPSRKQYFVMPJC-JTQLQIEISA-N -1 1 378.387 1.399 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C1(CF)CCC1 ZINC001573818730 949740613 /nfs/dbraw/zinc/74/06/13/949740613.db2.gz OYTGKFIMDWBVFV-LBPRGKRZSA-N -1 1 376.440 1.739 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C1(CF)CCC1 ZINC001573818730 949740629 /nfs/dbraw/zinc/74/06/29/949740629.db2.gz OYTGKFIMDWBVFV-LBPRGKRZSA-N -1 1 376.440 1.739 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1Cc2ccccc21 ZINC001573818673 949741366 /nfs/dbraw/zinc/74/13/66/949741366.db2.gz NWHRHLJOALBXHI-HOCLYGCPSA-N -1 1 392.467 1.939 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1Cc2ccccc21 ZINC001573818673 949741376 /nfs/dbraw/zinc/74/13/76/949741376.db2.gz NWHRHLJOALBXHI-HOCLYGCPSA-N -1 1 392.467 1.939 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)Cc1cncs1 ZINC001573818982 949744700 /nfs/dbraw/zinc/74/47/00/949744700.db2.gz QEFXABOUOGKPDX-LBPRGKRZSA-N -1 1 387.473 1.299 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)Cc1cncs1 ZINC001573818982 949744704 /nfs/dbraw/zinc/74/47/04/949744704.db2.gz QEFXABOUOGKPDX-LBPRGKRZSA-N -1 1 387.473 1.299 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccc(F)cn1 ZINC001573818947 949744955 /nfs/dbraw/zinc/74/49/55/949744955.db2.gz PJMGQHCOUGXYIV-CYBMUJFWSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccc(F)cn1 ZINC001573818947 949744962 /nfs/dbraw/zinc/74/49/62/949744962.db2.gz PJMGQHCOUGXYIV-CYBMUJFWSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ncccc1F ZINC001573819311 949755208 /nfs/dbraw/zinc/75/52/08/949755208.db2.gz SVMYZDIUGIGABO-LBPRGKRZSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ncccc1F ZINC001573819311 949755222 /nfs/dbraw/zinc/75/52/22/949755222.db2.gz SVMYZDIUGIGABO-LBPRGKRZSA-N -1 1 385.407 1.447 20 0 GDADMM CC1(C(=O)N[C@H](CNc2cncc(-c3nnn[n-]3)n2)C2CC2)CC(F)(F)C1 ZINC001575559669 949763928 /nfs/dbraw/zinc/76/39/28/949763928.db2.gz XTIYGWBIPBXFNM-SNVBAGLBSA-N -1 1 378.387 1.399 20 0 GDADMM CC1(C(=O)N[C@H](CNc2cncc(-c3nn[n-]n3)n2)C2CC2)CC(F)(F)C1 ZINC001575559669 949763947 /nfs/dbraw/zinc/76/39/47/949763947.db2.gz XTIYGWBIPBXFNM-SNVBAGLBSA-N -1 1 378.387 1.399 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H](CN(C)c2nccnc2-c2nnn[n-]2)C1)C1CC1 ZINC001574481196 949770268 /nfs/dbraw/zinc/77/02/68/949770268.db2.gz NEOMZURPCGCWKF-UONOGXRCSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H](CN(C)c2nccnc2-c2nn[n-]n2)C1)C1CC1 ZINC001574481196 949770276 /nfs/dbraw/zinc/77/02/76/949770276.db2.gz NEOMZURPCGCWKF-UONOGXRCSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)COC1CCCC1 ZINC001573821336 949774294 /nfs/dbraw/zinc/77/42/94/949774294.db2.gz AIBAKAHFMBAADY-ZDUSSCGKSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)COC1CCCC1 ZINC001573821336 949774312 /nfs/dbraw/zinc/77/43/12/949774312.db2.gz AIBAKAHFMBAADY-ZDUSSCGKSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H](CC(=O)N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1)[C@@H]1CCCO1 ZINC001574481534 949784681 /nfs/dbraw/zinc/78/46/81/949784681.db2.gz RCRLWRXTFMRJSH-DOMZBBRYSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H](CC(=O)N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1)[C@@H]1CCCO1 ZINC001574481534 949784696 /nfs/dbraw/zinc/78/46/96/949784696.db2.gz RCRLWRXTFMRJSH-DOMZBBRYSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H](CN(C)C(=O)CCOc1ccccc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574720484 949790965 /nfs/dbraw/zinc/79/09/65/949790965.db2.gz AKIPXLMEONPWJI-CYBMUJFWSA-N -1 1 382.428 1.385 20 0 GDADMM C[C@H](CN(C)C(=O)CCOc1ccccc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574720484 949790980 /nfs/dbraw/zinc/79/09/80/949790980.db2.gz AKIPXLMEONPWJI-CYBMUJFWSA-N -1 1 382.428 1.385 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@@](C)(O)C1CC1 ZINC001573822550 949795574 /nfs/dbraw/zinc/79/55/74/949795574.db2.gz JMNKXTFQDAZASU-KZULUSFZSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@@](C)(O)C1CC1 ZINC001573822550 949795597 /nfs/dbraw/zinc/79/55/97/949795597.db2.gz JMNKXTFQDAZASU-KZULUSFZSA-N -1 1 388.476 1.151 20 0 GDADMM C[C@@H](CC(=O)N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1)c1ccco1 ZINC001574481829 949803921 /nfs/dbraw/zinc/80/39/21/949803921.db2.gz WARHFETZEAXLBQ-LBPRGKRZSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@@H](CC(=O)N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1)c1ccco1 ZINC001574481829 949803945 /nfs/dbraw/zinc/80/39/45/949803945.db2.gz WARHFETZEAXLBQ-LBPRGKRZSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@H]1CCCC[C@@H]1C(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001576172409 949805467 /nfs/dbraw/zinc/80/54/67/949805467.db2.gz UPOXIURHGXXGMU-XQLPTFJDSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H]1CCCC[C@@H]1C(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001576172409 949805487 /nfs/dbraw/zinc/80/54/87/949805487.db2.gz UPOXIURHGXXGMU-XQLPTFJDSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H](CC(=O)N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1)c1ccco1 ZINC001574481828 949806003 /nfs/dbraw/zinc/80/60/03/949806003.db2.gz WARHFETZEAXLBQ-GFCCVEGCSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@H](CC(=O)N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1)c1ccco1 ZINC001574481828 949806029 /nfs/dbraw/zinc/80/60/29/949806029.db2.gz WARHFETZEAXLBQ-GFCCVEGCSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@H](CNC(=O)c1c(F)cc(F)cc1F)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574965681 949806639 /nfs/dbraw/zinc/80/66/39/949806639.db2.gz JHABMCXEEVKLKX-QMMMGPOBSA-N -1 1 392.345 1.552 20 0 GDADMM C[C@H](CNC(=O)c1c(F)cc(F)cc1F)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574965681 949806661 /nfs/dbraw/zinc/80/66/61/949806661.db2.gz JHABMCXEEVKLKX-QMMMGPOBSA-N -1 1 392.345 1.552 20 0 GDADMM C[C@@H]1CCCC[C@@H]1C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001576173768 949843842 /nfs/dbraw/zinc/84/38/42/949843842.db2.gz YSIQKXHWAMVTQH-KBXIAJHMSA-N -1 1 382.472 1.378 20 0 GDADMM CC(C)(C)C1CC(C(=O)NC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001573824108 949847339 /nfs/dbraw/zinc/84/73/39/949847339.db2.gz CIXUDVZCIVYMRF-HSBZDZAISA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)(C)C1CC(C(=O)NC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001573824108 949847357 /nfs/dbraw/zinc/84/73/57/949847357.db2.gz CIXUDVZCIVYMRF-HSBZDZAISA-N -1 1 384.488 1.672 20 0 GDADMM C[C@H]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001576173833 949851002 /nfs/dbraw/zinc/85/10/02/949851002.db2.gz ZGUBDGXUOOQXLN-BYNSBNAKSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001576173833 949851025 /nfs/dbraw/zinc/85/10/25/949851025.db2.gz ZGUBDGXUOOQXLN-BYNSBNAKSA-N -1 1 382.472 1.663 20 0 GDADMM CC1(C(=O)N[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)CC(F)(F)C1 ZINC001575564018 949852249 /nfs/dbraw/zinc/85/22/49/949852249.db2.gz NPZCIJHVWJJGJT-SNVBAGLBSA-N -1 1 378.387 1.177 20 0 GDADMM CC1(C(=O)N[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)CC(F)(F)C1 ZINC001575564018 949852270 /nfs/dbraw/zinc/85/22/70/949852270.db2.gz NPZCIJHVWJJGJT-SNVBAGLBSA-N -1 1 378.387 1.177 20 0 GDADMM C[C@H]1CCCN(C(=O)c2nccs2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576177803 949859496 /nfs/dbraw/zinc/85/94/96/949859496.db2.gz BRFKYYDMJKSHAH-CMPLNLGQSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H]1CCCN(C(=O)c2nccs2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576177803 949859521 /nfs/dbraw/zinc/85/95/21/949859521.db2.gz BRFKYYDMJKSHAH-CMPLNLGQSA-N -1 1 385.457 1.466 20 0 GDADMM CC(C)(C)C1CC(C(=O)N2CC[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001573824938 949859791 /nfs/dbraw/zinc/85/97/91/949859791.db2.gz IHDDARZIGCAJJA-HSBZDZAISA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)(C)C1CC(C(=O)N2CC[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001573824938 949859811 /nfs/dbraw/zinc/85/98/11/949859811.db2.gz IHDDARZIGCAJJA-HSBZDZAISA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H](NC(=O)COCC1CC1)[C@@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575283126 949862476 /nfs/dbraw/zinc/86/24/76/949862476.db2.gz NNEDMLVTIITNRL-HTQZYQBOSA-N -1 1 385.881 1.708 20 0 GDADMM C[C@H](CN(C)C(=O)CN(C)c1ccccc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574724260 949865791 /nfs/dbraw/zinc/86/57/91/949865791.db2.gz FXPSPZHJUAHMIC-CYBMUJFWSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@H](CN(C)C(=O)CN(C)c1ccccc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574724260 949865816 /nfs/dbraw/zinc/86/58/16/949865816.db2.gz FXPSPZHJUAHMIC-CYBMUJFWSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@]1(C(=O)NC2CCC(Nc3ccnc(-c4nn[n-]n4)n3)CC2)CC=CCC1 ZINC001575565256 949878841 /nfs/dbraw/zinc/87/88/41/949878841.db2.gz VBAADRMGPMIWSM-SVGDTCPJSA-N -1 1 382.472 1.664 20 0 GDADMM CC1(C(=O)N[C@H]2CC[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)CCOCC1 ZINC001575565963 949888395 /nfs/dbraw/zinc/88/83/95/949888395.db2.gz ZEYDHDQLJOALFA-OLZOCXBDSA-N -1 1 386.460 1.170 20 0 GDADMM CC1(C(=O)N[C@H]2CC[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)CCOCC1 ZINC001575565963 949888416 /nfs/dbraw/zinc/88/84/16/949888416.db2.gz ZEYDHDQLJOALFA-OLZOCXBDSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001574484706 949896543 /nfs/dbraw/zinc/89/65/43/949896543.db2.gz MJSQRRYDGLEJLS-UWVGGRQHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574484706 949896561 /nfs/dbraw/zinc/89/65/61/949896561.db2.gz MJSQRRYDGLEJLS-UWVGGRQHSA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574143894 949897553 /nfs/dbraw/zinc/89/75/53/949897553.db2.gz IONAYFYKDWODCI-UONOGXRCSA-N -1 1 388.476 1.193 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574143894 949897577 /nfs/dbraw/zinc/89/75/77/949897577.db2.gz IONAYFYKDWODCI-UONOGXRCSA-N -1 1 388.476 1.193 20 0 GDADMM CC(C)(C)/C=C/C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001573828345 949934749 /nfs/dbraw/zinc/93/47/49/949934749.db2.gz RELXIVABEHIOGI-RNUUNTDPSA-N -1 1 382.472 1.829 20 0 GDADMM CC(C)(C)/C=C/C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001573828345 949934765 /nfs/dbraw/zinc/93/47/65/949934765.db2.gz RELXIVABEHIOGI-RNUUNTDPSA-N -1 1 382.472 1.829 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2cc(Cl)no2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575889845 949936930 /nfs/dbraw/zinc/93/69/30/949936930.db2.gz UIMNTUJHZCOXIN-RKDXNWHRSA-N -1 1 389.807 1.085 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2cc(Cl)no2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575889845 949936943 /nfs/dbraw/zinc/93/69/43/949936943.db2.gz UIMNTUJHZCOXIN-RKDXNWHRSA-N -1 1 389.807 1.085 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H](C)[C@H](CCNc2nccnc2-c2nnn[n-]2)C1)C1CC1 ZINC001574487723 949937226 /nfs/dbraw/zinc/93/72/26/949937226.db2.gz BJMCJPHWNRQYAC-UMVBOHGHSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H](C)[C@H](CCNc2nccnc2-c2nn[n-]n2)C1)C1CC1 ZINC001574487723 949937249 /nfs/dbraw/zinc/93/72/49/949937249.db2.gz BJMCJPHWNRQYAC-UMVBOHGHSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2cc(Cl)no2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575889838 949938849 /nfs/dbraw/zinc/93/88/49/949938849.db2.gz UIMNTUJHZCOXIN-BDAKNGLRSA-N -1 1 389.807 1.085 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2cc(Cl)no2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575889838 949938870 /nfs/dbraw/zinc/93/88/70/949938870.db2.gz UIMNTUJHZCOXIN-BDAKNGLRSA-N -1 1 389.807 1.085 20 0 GDADMM C[C@H]1CCN(C(=O)CCC(F)F)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576180156 949942693 /nfs/dbraw/zinc/94/26/93/949942693.db2.gz CMFHKXGGAOFDDU-QWRGUYRKSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H]1CCN(C(=O)CCC(F)F)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576180156 949942715 /nfs/dbraw/zinc/94/27/15/949942715.db2.gz CMFHKXGGAOFDDU-QWRGUYRKSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H](CC(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)c1ccco1 ZINC001574488873 949951834 /nfs/dbraw/zinc/95/18/34/949951834.db2.gz GTLRSKVRQVISAQ-SMDDNHRTSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](CC(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)c1ccco1 ZINC001574488873 949951848 /nfs/dbraw/zinc/95/18/48/949951848.db2.gz GTLRSKVRQVISAQ-SMDDNHRTSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001574490478 949996843 /nfs/dbraw/zinc/99/68/43/949996843.db2.gz SNVXYLMGPDIKSE-KBMXLJTQSA-N -1 1 390.451 1.640 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001574490478 949996865 /nfs/dbraw/zinc/99/68/65/949996865.db2.gz SNVXYLMGPDIKSE-KBMXLJTQSA-N -1 1 390.451 1.640 20 0 GDADMM C[C@H](CC(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)c1ccco1 ZINC001574490668 950011423 /nfs/dbraw/zinc/01/14/23/950011423.db2.gz XBLLIQZHKIGSOM-YPMHNXCESA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](CC(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)c1ccco1 ZINC001574490668 950011446 /nfs/dbraw/zinc/01/14/46/950011446.db2.gz XBLLIQZHKIGSOM-YPMHNXCESA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1)CC(C)(C)C ZINC001574490761 950020944 /nfs/dbraw/zinc/02/09/44/950020944.db2.gz YHLSSVXJXOAHPS-IHRRRGAJSA-N -1 1 384.488 1.909 20 0 GDADMM CC1(C(=O)NC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)c2ccccc2)CCC1 ZINC001575574766 950028065 /nfs/dbraw/zinc/02/80/65/950028065.db2.gz YPTZJMQITFVDEG-AWEZNQCLSA-N -1 1 378.440 1.538 20 0 GDADMM CC1(C(=O)NC[C@H](CO)Nc2snc(Cl)c2-c2nnn[n-]2)CCCC1 ZINC001575574752 950029117 /nfs/dbraw/zinc/02/91/17/950029117.db2.gz YKRDLPDEMLUQQE-MRVPVSSYSA-N -1 1 385.881 1.446 20 0 GDADMM CC1(C(=O)NC[C@H](CO)Nc2snc(Cl)c2-c2nn[n-]n2)CCCC1 ZINC001575574752 950029139 /nfs/dbraw/zinc/02/91/39/950029139.db2.gz YKRDLPDEMLUQQE-MRVPVSSYSA-N -1 1 385.881 1.446 20 0 GDADMM C[C@@H](CC(=O)NC1CC(CNc2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001574491227 950029983 /nfs/dbraw/zinc/02/99/83/950029983.db2.gz BJCKJGIZEBTFFW-IDKOKCKLSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](CC(=O)NC1CC(CNc2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001574491227 950030006 /nfs/dbraw/zinc/03/00/06/950030006.db2.gz BJCKJGIZEBTFFW-IDKOKCKLSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](CC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)c1ccccc1 ZINC001574491637 950048073 /nfs/dbraw/zinc/04/80/73/950048073.db2.gz FFSCWFYZBSSCPR-AWEZNQCLSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@@H](CC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)c1ccccc1 ZINC001574491637 950048097 /nfs/dbraw/zinc/04/80/97/950048097.db2.gz FFSCWFYZBSSCPR-AWEZNQCLSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cn[nH]c2)[C@@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001576182356 950052309 /nfs/dbraw/zinc/05/23/09/950052309.db2.gz ODARVYTVNGTZFL-WCQYABFASA-N -1 1 382.432 1.123 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cn[nH]c2)[C@@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001576182356 950052331 /nfs/dbraw/zinc/05/23/31/950052331.db2.gz ODARVYTVNGTZFL-WCQYABFASA-N -1 1 382.432 1.123 20 0 GDADMM C[C@H]1CCN(C(=O)C2C=CC=CC=C2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576182468 950055440 /nfs/dbraw/zinc/05/54/40/950055440.db2.gz MDLGRRIGVPBMSF-HOCLYGCPSA-N -1 1 392.467 1.852 20 0 GDADMM C[C@H]1CCN(C(=O)C2C=CC=CC=C2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576182468 950055461 /nfs/dbraw/zinc/05/54/61/950055461.db2.gz MDLGRRIGVPBMSF-HOCLYGCPSA-N -1 1 392.467 1.852 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574491985 950058151 /nfs/dbraw/zinc/05/81/51/950058151.db2.gz HYALNMGSNXCBNK-HIFRSBDPSA-N -1 1 378.440 1.545 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001574492078 950059265 /nfs/dbraw/zinc/05/92/65/950059265.db2.gz IVIKONCRIDOYBT-QWHCGFSZSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001574492078 950059288 /nfs/dbraw/zinc/05/92/88/950059288.db2.gz IVIKONCRIDOYBT-QWHCGFSZSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccsn2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576183056 950076033 /nfs/dbraw/zinc/07/60/33/950076033.db2.gz QNUBFDLXCDGHIW-MFKMUULPSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccsn2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576183056 950076054 /nfs/dbraw/zinc/07/60/54/950076054.db2.gz QNUBFDLXCDGHIW-MFKMUULPSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(CCF)CC2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576183323 950082467 /nfs/dbraw/zinc/08/24/67/950082467.db2.gz PIGZJVBBHXPMIF-CHWSQXEVSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(CCF)CC2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576183323 950082485 /nfs/dbraw/zinc/08/24/85/950082485.db2.gz PIGZJVBBHXPMIF-CHWSQXEVSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@H](CC(=O)N[C@@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccco1 ZINC001574492389 950083231 /nfs/dbraw/zinc/08/32/31/950083231.db2.gz MSYJSINTXGNGQZ-XIKOKIGWSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](CC(=O)N[C@@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574492389 950083259 /nfs/dbraw/zinc/08/32/59/950083259.db2.gz MSYJSINTXGNGQZ-XIKOKIGWSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](CC(=O)NC[C@H](C)N(C)c1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001574492411 950083285 /nfs/dbraw/zinc/08/32/85/950083285.db2.gz ARRXJIYPYVMRTK-KGLIPLIRSA-N -1 1 380.456 1.791 20 0 GDADMM C[C@H](CC(=O)NC[C@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001574492411 950083308 /nfs/dbraw/zinc/08/33/08/950083308.db2.gz ARRXJIYPYVMRTK-KGLIPLIRSA-N -1 1 380.456 1.791 20 0 GDADMM C[C@@H](C(=O)[O-])[NH+]1CCC(c2nnc(CNC(=O)OCc3ccccc3)[n-]2)CC1 ZINC001602822092 971632422 /nfs/dbraw/zinc/63/24/22/971632422.db2.gz ZOZSDVFQGUJQIK-ZDUSSCGKSA-N -1 1 387.440 1.884 20 0 GDADMM C[C@H](CC(=O)NC1(CNc2cncc(-c3nnn[n-]3)n2)CCOCC1)C1CC1 ZINC001574492480 950090191 /nfs/dbraw/zinc/09/01/91/950090191.db2.gz NGWWFWWXGCNPBM-GFCCVEGCSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@H](CC(=O)NC1(CNc2cncc(-c3nn[n-]n3)n2)CCOCC1)C1CC1 ZINC001574492480 950090209 /nfs/dbraw/zinc/09/02/09/950090209.db2.gz NGWWFWWXGCNPBM-GFCCVEGCSA-N -1 1 386.460 1.170 20 0 GDADMM CC(C)[C@H](CNC(=O)C[C@H](C)c1ccco1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574492765 950103545 /nfs/dbraw/zinc/10/35/45/950103545.db2.gz COQXTDBMOJRPDQ-STQMWFEESA-N -1 1 384.444 1.418 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccccc1 ZINC001574493042 950111315 /nfs/dbraw/zinc/11/13/15/950111315.db2.gz QZRCJNAVNVSQMR-GDBMZVCRSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccccc1 ZINC001574493042 950111329 /nfs/dbraw/zinc/11/13/29/950111329.db2.gz QZRCJNAVNVSQMR-GDBMZVCRSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cncs2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576183964 950111288 /nfs/dbraw/zinc/11/12/88/950111288.db2.gz ULYDDBCEVDGYET-MNOVXSKESA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cncs2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576183964 950111297 /nfs/dbraw/zinc/11/12/97/950111297.db2.gz ULYDDBCEVDGYET-MNOVXSKESA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1)n1cccc1 ZINC001574493345 950129155 /nfs/dbraw/zinc/12/91/55/950129155.db2.gz FSQVUZRSYYMYRU-IUODEOHRSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1)n1cccc1 ZINC001574493345 950129172 /nfs/dbraw/zinc/12/91/72/950129172.db2.gz FSQVUZRSYYMYRU-IUODEOHRSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cc[nH]c2)[C@@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576184392 950130496 /nfs/dbraw/zinc/13/04/96/950130496.db2.gz WHEYHXRSOAPLKP-SWLSCSKDSA-N -1 1 381.444 1.728 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cc[nH]c2)[C@@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576184392 950130503 /nfs/dbraw/zinc/13/05/03/950130503.db2.gz WHEYHXRSOAPLKP-SWLSCSKDSA-N -1 1 381.444 1.728 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2)C1CC1 ZINC001574494184 950156863 /nfs/dbraw/zinc/15/68/63/950156863.db2.gz XTCQXZRBKOADKH-SWLSCSKDSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2)C1CC1 ZINC001574494184 950156872 /nfs/dbraw/zinc/15/68/72/950156872.db2.gz XTCQXZRBKOADKH-SWLSCSKDSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H]1CCN(C(=O)c2cccnc2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576190348 950159890 /nfs/dbraw/zinc/15/98/90/950159890.db2.gz AJWXNVROXBYEGB-GXTWGEPZSA-N -1 1 379.428 1.262 20 0 GDADMM C[C@H]1CCN(C(=O)c2cccnc2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576190348 950159903 /nfs/dbraw/zinc/15/99/03/950159903.db2.gz AJWXNVROXBYEGB-GXTWGEPZSA-N -1 1 379.428 1.262 20 0 GDADMM C[C@H](CC(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1)[C@@H]1CCCO1 ZINC001574494575 950167720 /nfs/dbraw/zinc/16/77/20/950167720.db2.gz LMIPINALJPTJQQ-RISCZKNCSA-N -1 1 376.486 1.434 20 0 GDADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C(C1CC1)C1CC1 ZINC001574155187 950189073 /nfs/dbraw/zinc/18/90/73/950189073.db2.gz JPKIVDRWCLDHII-CQSZACIVSA-N -1 1 384.488 1.458 20 0 GDADMM CC(C)[C@H](CNC(=O)C[C@@H](C)c1ccco1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574494872 950189738 /nfs/dbraw/zinc/18/97/38/950189738.db2.gz PNYQGGSMLXLTKL-OLZOCXBDSA-N -1 1 384.444 1.996 20 0 GDADMM CC(C)[C@H](CNC(=O)C[C@@H](C)c1ccco1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574494872 950189748 /nfs/dbraw/zinc/18/97/48/950189748.db2.gz PNYQGGSMLXLTKL-OLZOCXBDSA-N -1 1 384.444 1.996 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](CO)Nc1cncc(-c2nnn[n-]2)n1)CC(C)(C)C ZINC001574494962 950191756 /nfs/dbraw/zinc/19/17/56/950191756.db2.gz QPUXPDRSKJJJFO-NWDGAFQWSA-N -1 1 376.465 1.008 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](CO)Nc1cncc(-c2nn[n-]n2)n1)CC(C)(C)C ZINC001574494962 950191767 /nfs/dbraw/zinc/19/17/67/950191767.db2.gz QPUXPDRSKJJJFO-NWDGAFQWSA-N -1 1 376.465 1.008 20 0 GDADMM C[C@]1(C(=O)NC[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)CC=CCC1 ZINC001575585457 950193766 /nfs/dbraw/zinc/19/37/66/950193766.db2.gz ZNHUGTGEZXXZAQ-LIRRHRJNSA-N -1 1 382.472 1.736 20 0 GDADMM C[C@]1(C(=O)NC[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)CC=CCC1 ZINC001575585457 950193775 /nfs/dbraw/zinc/19/37/75/950193775.db2.gz ZNHUGTGEZXXZAQ-LIRRHRJNSA-N -1 1 382.472 1.736 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001573845478 950228868 /nfs/dbraw/zinc/22/88/68/950228868.db2.gz FXOYJNFZKJPTMB-MELADBBJSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001573845478 950228887 /nfs/dbraw/zinc/22/88/87/950228887.db2.gz FXOYJNFZKJPTMB-MELADBBJSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1 ZINC001573845780 950240203 /nfs/dbraw/zinc/24/02/03/950240203.db2.gz LUUPVPACIMJUJD-XDQVBPFNSA-N -1 1 382.472 1.519 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1 ZINC001573845780 950240216 /nfs/dbraw/zinc/24/02/16/950240216.db2.gz LUUPVPACIMJUJD-XDQVBPFNSA-N -1 1 382.472 1.519 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccncc1F ZINC001574157537 950242631 /nfs/dbraw/zinc/24/26/31/950242631.db2.gz CPCIJAHRDRCDQH-LLVKDONJSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccncc1F ZINC001574157537 950242650 /nfs/dbraw/zinc/24/26/50/950242650.db2.gz CPCIJAHRDRCDQH-LLVKDONJSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)Cc1cncs1 ZINC001574157630 950246347 /nfs/dbraw/zinc/24/63/47/950246347.db2.gz FJYLBMFORMAHCC-NSHDSACASA-N -1 1 387.473 1.299 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)Cc1cncs1 ZINC001574157630 950246363 /nfs/dbraw/zinc/24/63/63/950246363.db2.gz FJYLBMFORMAHCC-NSHDSACASA-N -1 1 387.473 1.299 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@]1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573846671 950250229 /nfs/dbraw/zinc/25/02/29/950250229.db2.gz UHVDCHWYOOHCFZ-XEKQOVJPSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1)CC(C)(C)C ZINC001574498251 950264555 /nfs/dbraw/zinc/26/45/55/950264555.db2.gz LJXAPDNUNBKCFA-RYUDHWBXSA-N -1 1 376.465 1.008 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1)CC(C)(C)C ZINC001574498251 950264577 /nfs/dbraw/zinc/26/45/77/950264577.db2.gz LJXAPDNUNBKCFA-RYUDHWBXSA-N -1 1 376.465 1.008 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H](C)C(C)(F)F ZINC001574158904 950297084 /nfs/dbraw/zinc/29/70/84/950297084.db2.gz FCCUWESOTSHVOQ-WDEREUQCSA-N -1 1 382.419 1.891 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)C(C)(F)F ZINC001574158904 950297099 /nfs/dbraw/zinc/29/70/99/950297099.db2.gz FCCUWESOTSHVOQ-WDEREUQCSA-N -1 1 382.419 1.891 20 0 GDADMM C[C@H](CC(=O)NC[C@H](O)CNc1snc(Cl)c1-c1nnn[n-]1)C1CC1 ZINC001574499382 950298067 /nfs/dbraw/zinc/29/80/67/950298067.db2.gz UFRNBWCOSWBKSR-APPZFPTMSA-N -1 1 385.881 1.302 20 0 GDADMM C[C@@H]1CCN(C(=O)c2nccs2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576193344 950298229 /nfs/dbraw/zinc/29/82/29/950298229.db2.gz TXOJBYDAKKMDMB-GHMZBOCLSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@@H]1CCN(C(=O)c2nccs2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576193344 950298250 /nfs/dbraw/zinc/29/82/50/950298250.db2.gz TXOJBYDAKKMDMB-GHMZBOCLSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H](CC(=O)NC[C@H](O)CNc1snc(Cl)c1-c1nn[n-]n1)C1CC1 ZINC001574499382 950298084 /nfs/dbraw/zinc/29/80/84/950298084.db2.gz UFRNBWCOSWBKSR-APPZFPTMSA-N -1 1 385.881 1.302 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[C@H]1CCCOC1 ZINC001574159374 950307174 /nfs/dbraw/zinc/30/71/74/950307174.db2.gz GLFJLRLYWJSVJG-KGLIPLIRSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[C@H]1CCCOC1 ZINC001574159374 950307195 /nfs/dbraw/zinc/30/71/95/950307195.db2.gz GLFJLRLYWJSVJG-KGLIPLIRSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@@H](CC(=O)NCC1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001574500388 950312867 /nfs/dbraw/zinc/31/28/67/950312867.db2.gz ZZDDYKZIDQZASI-HSBZDZAISA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](CC(=O)NCC1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001574500388 950312888 /nfs/dbraw/zinc/31/28/88/950312888.db2.gz ZZDDYKZIDQZASI-HSBZDZAISA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001574501068 950319981 /nfs/dbraw/zinc/31/99/81/950319981.db2.gz ASPMUPONGGTWHX-LSDHHAIUSA-N -1 1 392.467 1.793 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574501068 950320002 /nfs/dbraw/zinc/32/00/02/950320002.db2.gz ASPMUPONGGTWHX-LSDHHAIUSA-N -1 1 392.467 1.793 20 0 GDADMM C[C@H]1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576194032 950329198 /nfs/dbraw/zinc/32/91/98/950329198.db2.gz XUGPXEKICYNVGQ-AHDPXTMNSA-N -1 1 382.472 1.599 20 0 GDADMM C[C@H]1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576194032 950329217 /nfs/dbraw/zinc/32/92/17/950329217.db2.gz XUGPXEKICYNVGQ-AHDPXTMNSA-N -1 1 382.472 1.599 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001574501958 950353685 /nfs/dbraw/zinc/35/36/85/950353685.db2.gz HYSIWOIJNMICDR-ZIAGYGMSSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001574501958 950353703 /nfs/dbraw/zinc/35/37/03/950353703.db2.gz HYSIWOIJNMICDR-ZIAGYGMSSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc(C(C)(C)C)on1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574744787 950365095 /nfs/dbraw/zinc/36/50/95/950365095.db2.gz BHQKPHQZWZYJAB-JTQLQIEISA-N -1 1 385.432 1.515 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc(C(C)(C)C)on1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574744787 950365116 /nfs/dbraw/zinc/36/51/16/950365116.db2.gz BHQKPHQZWZYJAB-JTQLQIEISA-N -1 1 385.432 1.515 20 0 GDADMM CC(C)CC1(C(=O)N2CCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)CCC1 ZINC001574162715 950399756 /nfs/dbraw/zinc/39/97/56/950399756.db2.gz HNGJBUIZWYNBHK-AWEZNQCLSA-N -1 1 384.488 1.698 20 0 GDADMM CC(C)CC1(C(=O)N(C)[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CCC1 ZINC001574162755 950401155 /nfs/dbraw/zinc/40/11/55/950401155.db2.gz IOAYDGBNGUIRFJ-AWEZNQCLSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1ncccc1O ZINC001574162852 950402892 /nfs/dbraw/zinc/40/28/92/950402892.db2.gz KGGYTOQPFYNEEH-LLVKDONJSA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[nH]n1)NC(=O)c1ncccc1[O-] ZINC001574162852 950402912 /nfs/dbraw/zinc/40/29/12/950402912.db2.gz KGGYTOQPFYNEEH-LLVKDONJSA-N -1 1 383.416 1.014 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)c1ccco1 ZINC001574503479 950415266 /nfs/dbraw/zinc/41/52/66/950415266.db2.gz XCNKKMAVFUHRNR-QWHCGFSZSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)c1ccco1 ZINC001574503479 950415278 /nfs/dbraw/zinc/41/52/78/950415278.db2.gz XCNKKMAVFUHRNR-QWHCGFSZSA-N -1 1 382.428 1.529 20 0 GDADMM CC1(C(=O)NCc2ccc(CCNc3nccnc3-c3nnn[n-]3)cc2)CC1 ZINC001575599237 950429160 /nfs/dbraw/zinc/42/91/60/950429160.db2.gz IHKYKPWOHNWEJF-UHFFFAOYSA-N -1 1 378.440 1.728 20 0 GDADMM CC1(C(=O)NCc2ccc(CCNc3nccnc3-c3nn[n-]n3)cc2)CC1 ZINC001575599237 950429174 /nfs/dbraw/zinc/42/91/74/950429174.db2.gz IHKYKPWOHNWEJF-UHFFFAOYSA-N -1 1 378.440 1.728 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)Cc1cscn1 ZINC001574163871 950439734 /nfs/dbraw/zinc/43/97/34/950439734.db2.gz ZVDNUHZGBLOGRZ-NSHDSACASA-N -1 1 387.473 1.299 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)Cc1cscn1 ZINC001574163871 950439743 /nfs/dbraw/zinc/43/97/43/950439743.db2.gz ZVDNUHZGBLOGRZ-NSHDSACASA-N -1 1 387.473 1.299 20 0 GDADMM CC(C)CC1(C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)CCC1 ZINC001574165811 950455613 /nfs/dbraw/zinc/45/56/13/950455613.db2.gz JDPZUGIEKPRVJS-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CC1(C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)CCC1 ZINC001574165811 950455630 /nfs/dbraw/zinc/45/56/30/950455630.db2.gz JDPZUGIEKPRVJS-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001574507496 950459576 /nfs/dbraw/zinc/45/95/76/950459576.db2.gz JRLQJRLWORKCAA-UPJWGTAASA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001574507496 950459600 /nfs/dbraw/zinc/45/96/00/950459600.db2.gz JRLQJRLWORKCAA-UPJWGTAASA-N -1 1 382.428 1.750 20 0 GDADMM CC1(C(=O)N[C@H]2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)CC2)CC(F)(F)C1 ZINC001575605513 950466208 /nfs/dbraw/zinc/46/62/08/950466208.db2.gz JXLIAKZRJSKVFD-XYPYZODXSA-N -1 1 392.414 1.931 20 0 GDADMM CC1(C(=O)N[C@H]2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)CC2)CC(F)(F)C1 ZINC001575605513 950466219 /nfs/dbraw/zinc/46/62/19/950466219.db2.gz JXLIAKZRJSKVFD-XYPYZODXSA-N -1 1 392.414 1.931 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)[C@H]1CCCO1 ZINC001574508091 950467812 /nfs/dbraw/zinc/46/78/12/950467812.db2.gz MKNZXWPJZNSKTQ-AAVRWANBSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)[C@H]1CCCO1 ZINC001574508091 950467826 /nfs/dbraw/zinc/46/78/26/950467826.db2.gz MKNZXWPJZNSKTQ-AAVRWANBSA-N -1 1 386.460 1.169 20 0 GDADMM CC(C)(C)OC(=O)c1cc(C(=O)Nc2n[nH]c(C3CC3)c2-c2nn[nH]n2)[n-]n1 ZINC001573863354 950476506 /nfs/dbraw/zinc/47/65/06/950476506.db2.gz DSFGHPDMNDNPRX-UHFFFAOYSA-N -1 1 385.388 1.398 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1ccccc1 ZINC001575913109 950477926 /nfs/dbraw/zinc/47/79/26/950477926.db2.gz ILASEXBNDRASKY-ZFWWWQNUSA-N -1 1 378.440 1.691 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCc1ccccc1 ZINC001575913109 950477947 /nfs/dbraw/zinc/47/79/47/950477947.db2.gz ILASEXBNDRASKY-ZFWWWQNUSA-N -1 1 378.440 1.691 20 0 GDADMM CC(C)CCC(=O)N(C)C[C@H](O)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574167341 950480581 /nfs/dbraw/zinc/48/05/81/950480581.db2.gz AUJBYBDTZXMHDU-SECBINFHSA-N -1 1 387.897 1.644 20 0 GDADMM CC1(C(=O)N[C@@H]2Cc3ccccc3[C@H]2Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575605884 950486496 /nfs/dbraw/zinc/48/64/96/950486496.db2.gz YQNAOWOAGWPUFM-CZUORRHYSA-N -1 1 376.424 1.651 20 0 GDADMM CC1(C(=O)N[C@@H]2Cc3ccccc3[C@H]2Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575605884 950486508 /nfs/dbraw/zinc/48/65/08/950486508.db2.gz YQNAOWOAGWPUFM-CZUORRHYSA-N -1 1 376.424 1.651 20 0 GDADMM CC(C)(C)OC(=O)c1ncccc1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001573864082 950495795 /nfs/dbraw/zinc/49/57/95/950495795.db2.gz YWTBQROLWZAPRY-UHFFFAOYSA-N -1 1 381.396 1.793 20 0 GDADMM CC(C)(C)OC(=O)c1ncccc1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001573864082 950495808 /nfs/dbraw/zinc/49/58/08/950495808.db2.gz YWTBQROLWZAPRY-UHFFFAOYSA-N -1 1 381.396 1.793 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc(C2CC2)cn1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574752945 950502289 /nfs/dbraw/zinc/50/22/89/950502289.db2.gz GTWKLWGKSRVODE-LLVKDONJSA-N -1 1 379.428 1.502 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc(C2CC2)cn1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574752945 950502303 /nfs/dbraw/zinc/50/23/03/950502303.db2.gz GTWKLWGKSRVODE-LLVKDONJSA-N -1 1 379.428 1.502 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc2c(c1)CCO2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574752959 950509612 /nfs/dbraw/zinc/50/96/12/950509612.db2.gz HBMDYABOKMPFRT-LLVKDONJSA-N -1 1 380.412 1.164 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc2c(c1)CCO2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574752959 950509628 /nfs/dbraw/zinc/50/96/28/950509628.db2.gz HBMDYABOKMPFRT-LLVKDONJSA-N -1 1 380.412 1.164 20 0 GDADMM C[C@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574995675 950513599 /nfs/dbraw/zinc/51/35/99/950513599.db2.gz GMXSVXUQJZLAAH-JTQLQIEISA-N -1 1 384.448 1.155 20 0 GDADMM C[C@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574995675 950513624 /nfs/dbraw/zinc/51/36/24/950513624.db2.gz GMXSVXUQJZLAAH-JTQLQIEISA-N -1 1 384.448 1.155 20 0 GDADMM CC(C)(C)OCC(=O)N1CCCC[C@@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001573867130 950523815 /nfs/dbraw/zinc/52/38/15/950523815.db2.gz PXVABBZWVCKDLF-CYBMUJFWSA-N -1 1 388.476 1.655 20 0 GDADMM CC(C)(C)OCC(=O)N1CCCC[C@@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001573867130 950523834 /nfs/dbraw/zinc/52/38/34/950523834.db2.gz PXVABBZWVCKDLF-CYBMUJFWSA-N -1 1 388.476 1.655 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1 ZINC001575615608 950570412 /nfs/dbraw/zinc/57/04/12/950570412.db2.gz CWCNQDOQYFCRDW-RYUDHWBXSA-N -1 1 382.472 1.519 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1 ZINC001575615608 950570427 /nfs/dbraw/zinc/57/04/27/950570427.db2.gz CWCNQDOQYFCRDW-RYUDHWBXSA-N -1 1 382.472 1.519 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@H](C)c1ccccc1F ZINC001574512819 950585916 /nfs/dbraw/zinc/58/59/16/950585916.db2.gz DFIUHQHOBUGWEO-NWDGAFQWSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@H](C)c1ccccc1F ZINC001574512819 950585922 /nfs/dbraw/zinc/58/59/22/950585922.db2.gz DFIUHQHOBUGWEO-NWDGAFQWSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCC1CCCCC1 ZINC001575919396 950614944 /nfs/dbraw/zinc/61/49/44/950614944.db2.gz HPZXYWTXJCNKHG-ZFWWWQNUSA-N -1 1 384.488 1.840 20 0 GDADMM CC1(C)C(C(=O)N[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)CC2)C1(C)C ZINC001575619863 950622954 /nfs/dbraw/zinc/62/29/54/950622954.db2.gz RJIDXWIIAKHAPS-LBPRGKRZSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C(C(=O)N[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)CC2)C1(C)C ZINC001575619863 950622971 /nfs/dbraw/zinc/62/29/71/950622971.db2.gz RJIDXWIIAKHAPS-LBPRGKRZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)cc(Cl)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575001281 950626694 /nfs/dbraw/zinc/62/66/94/950626694.db2.gz JTXUGXDPFRCFAZ-MRVPVSSYSA-N -1 1 376.783 1.102 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574515687 950629634 /nfs/dbraw/zinc/62/96/34/950629634.db2.gz DSKZLWDWDOMLEO-DZKIICNBSA-N -1 1 392.467 1.579 20 0 GDADMM CC1(C)[C@H](NC(=O)C2CCC2)[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)[C@H]21 ZINC001575622273 950635866 /nfs/dbraw/zinc/63/58/66/950635866.db2.gz BLEWUGOTLOTDSN-BPLDGKMQSA-N -1 1 382.472 1.566 20 0 GDADMM CC1(C)[C@H](NC(=O)C2CCC2)[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)[C@H]21 ZINC001575622273 950635879 /nfs/dbraw/zinc/63/58/79/950635879.db2.gz BLEWUGOTLOTDSN-BPLDGKMQSA-N -1 1 382.472 1.566 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccn(C)c1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574759626 950644116 /nfs/dbraw/zinc/64/41/16/950644116.db2.gz PRWCYPAMXYXNMQ-QMMMGPOBSA-N -1 1 380.865 1.888 20 0 GDADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(C2CC2)cn1 ZINC001575922203 950644209 /nfs/dbraw/zinc/64/42/09/950644209.db2.gz OXIRFRFINGREBZ-BXUZGUMPSA-N -1 1 391.439 1.066 20 0 GDADMM CC1(C)C2CCC1(C(=O)N1CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C1)CC2 ZINC001575623089 950646888 /nfs/dbraw/zinc/64/68/88/950646888.db2.gz HPDRVKIOLPDBFN-MLZJXEJWSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(C)C2CCC1(C(=O)N1CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C1)CC2 ZINC001575623089 950646901 /nfs/dbraw/zinc/64/69/01/950646901.db2.gz HPDRVKIOLPDBFN-MLZJXEJWSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(F)cc(F)c1 ZINC001575922387 950646976 /nfs/dbraw/zinc/64/69/76/950646976.db2.gz PILNRHJLGKPYDI-NOZJJQNGSA-N -1 1 386.366 1.072 20 0 GDADMM CC1(C)CC(C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575623487 950653381 /nfs/dbraw/zinc/65/33/81/950653381.db2.gz AMFQZPJDDJHOEV-KGLIPLIRSA-N -1 1 382.472 1.663 20 0 GDADMM CC1(C)CC(C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575623487 950653388 /nfs/dbraw/zinc/65/33/88/950653388.db2.gz AMFQZPJDDJHOEV-KGLIPLIRSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574518689 950654290 /nfs/dbraw/zinc/65/42/90/950654290.db2.gz PQXIFAQJDPPMES-QEJZJMRPSA-N -1 1 378.440 1.332 20 0 GDADMM CC1(C)[C@H](NC(=O)CC2CC2)[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)[C@H]21 ZINC001575623860 950656813 /nfs/dbraw/zinc/65/68/13/950656813.db2.gz LAXKTKVAVCNZSZ-JCURWCKSSA-N -1 1 382.472 1.566 20 0 GDADMM CC1(C)[C@H](NC(=O)CC2CC2)[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)[C@H]21 ZINC001575623860 950656821 /nfs/dbraw/zinc/65/68/21/950656821.db2.gz LAXKTKVAVCNZSZ-JCURWCKSSA-N -1 1 382.472 1.566 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1scnc1Cl ZINC001575924142 950667469 /nfs/dbraw/zinc/66/74/69/950667469.db2.gz DRMJQNBOROZMKS-YUMQZZPRSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1scnc1Cl ZINC001575924142 950667484 /nfs/dbraw/zinc/66/74/84/950667484.db2.gz DRMJQNBOROZMKS-YUMQZZPRSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccc2c(c1)CCC2 ZINC001575924243 950672854 /nfs/dbraw/zinc/67/28/54/950672854.db2.gz FBMNFRPFKOQDQT-MLGOLLRUSA-N -1 1 390.451 1.861 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccc2c(c1)CCC2 ZINC001575924243 950672866 /nfs/dbraw/zinc/67/28/66/950672866.db2.gz FBMNFRPFKOQDQT-MLGOLLRUSA-N -1 1 390.451 1.861 20 0 GDADMM CC1(C)[C@H](NC(=O)CCCF)[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)[C@H]21 ZINC001575624920 950679148 /nfs/dbraw/zinc/67/91/48/950679148.db2.gz QQQBSGQRGYKYLI-IUIKQTSFSA-N -1 1 388.451 1.516 20 0 GDADMM CC1(C)[C@H](NC(=O)CCCF)[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)[C@H]21 ZINC001575624920 950679157 /nfs/dbraw/zinc/67/91/57/950679157.db2.gz QQQBSGQRGYKYLI-IUIKQTSFSA-N -1 1 388.451 1.516 20 0 GDADMM CC1(C)CC(C(=O)N2CCCO[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001575625407 950686459 /nfs/dbraw/zinc/68/64/59/950686459.db2.gz SQTLZNIILQCNAH-CYBMUJFWSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CC(C(=O)N2CCCO[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001575625407 950686470 /nfs/dbraw/zinc/68/64/70/950686470.db2.gz SQTLZNIILQCNAH-CYBMUJFWSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CC1CC(F)(F)C1 ZINC001575925602 950688868 /nfs/dbraw/zinc/68/88/68/950688868.db2.gz HRZNFLCSBSGPON-MWLCHTKSSA-N -1 1 378.387 1.493 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CC1CC(F)(F)C1 ZINC001575925602 950688881 /nfs/dbraw/zinc/68/88/81/950688881.db2.gz HRZNFLCSBSGPON-MWLCHTKSSA-N -1 1 378.387 1.493 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CC1CC(F)(F)C1 ZINC001575925595 950689702 /nfs/dbraw/zinc/68/97/02/950689702.db2.gz HRZNFLCSBSGPON-GXSJLCMTSA-N -1 1 378.387 1.493 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CC1CC(F)(F)C1 ZINC001575925595 950689720 /nfs/dbraw/zinc/68/97/20/950689720.db2.gz HRZNFLCSBSGPON-GXSJLCMTSA-N -1 1 378.387 1.493 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccnn1C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574761140 950691418 /nfs/dbraw/zinc/69/14/18/950691418.db2.gz RAYAYXUSBLGNRT-SSDOTTSWSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccnn1C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574761140 950691433 /nfs/dbraw/zinc/69/14/33/950691433.db2.gz RAYAYXUSBLGNRT-SSDOTTSWSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@@H](CNC(=O)c1cc2cnccc2o1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575006210 950714518 /nfs/dbraw/zinc/71/45/18/950714518.db2.gz SQWYICSDZANUND-JTQLQIEISA-N -1 1 379.384 1.053 20 0 GDADMM C[C@@H](CNC(=O)c1cc2cnccc2o1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575006210 950714531 /nfs/dbraw/zinc/71/45/31/950714531.db2.gz SQWYICSDZANUND-JTQLQIEISA-N -1 1 379.384 1.053 20 0 GDADMM C[C@H](CN(C)C(=O)c1cnn(C2CCC2)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574763485 950717054 /nfs/dbraw/zinc/71/70/54/950717054.db2.gz CAZLTQUJUDMUGQ-LLVKDONJSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@H](CN(C)C(=O)c1cnn(C2CCC2)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574763485 950717070 /nfs/dbraw/zinc/71/70/70/950717070.db2.gz CAZLTQUJUDMUGQ-LLVKDONJSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cc(C(F)F)n[nH]1 ZINC001575926692 950719201 /nfs/dbraw/zinc/71/92/01/950719201.db2.gz LDBHRLLOMIDNNX-HTQZYQBOSA-N -1 1 390.358 1.033 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001573878614 950719687 /nfs/dbraw/zinc/71/96/87/950719687.db2.gz WOAYMBRIADYXQA-MGPQQGTHSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC001576216105 950722583 /nfs/dbraw/zinc/72/25/83/950722583.db2.gz YOTARESOSCSCFJ-QWHCGFSZSA-N -1 1 384.444 1.840 20 0 GDADMM C[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC001576216105 950722602 /nfs/dbraw/zinc/72/26/02/950722602.db2.gz YOTARESOSCSCFJ-QWHCGFSZSA-N -1 1 384.444 1.840 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cccc(F)c1F ZINC001575927032 950731007 /nfs/dbraw/zinc/73/10/07/950731007.db2.gz ZSZDBURNZWOCKP-SKDRFNHKSA-N -1 1 386.366 1.072 20 0 GDADMM C[C@H](CNC(=O)c1cc2c(s1)CCCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575007049 950734393 /nfs/dbraw/zinc/73/43/93/950734393.db2.gz ZZRAMODRFPLEFO-SNVBAGLBSA-N -1 1 384.469 1.827 20 0 GDADMM C[C@H](CNC(=O)c1cc2c(s1)CCCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575007049 950734406 /nfs/dbraw/zinc/73/44/06/950734406.db2.gz ZZRAMODRFPLEFO-SNVBAGLBSA-N -1 1 384.469 1.827 20 0 GDADMM CC(C)(C)c1cc(C(=O)NCC=CCNc2cncc(-c3nnn[n-]3)n2)no1 ZINC001573880256 950743583 /nfs/dbraw/zinc/74/35/83/950743583.db2.gz WKGPQYMZFMBSGZ-PLNGDYQASA-N -1 1 383.416 1.340 20 0 GDADMM CC(C)(C)c1cc(C(=O)NCC=CCNc2cncc(-c3nn[n-]n3)n2)no1 ZINC001573880256 950743601 /nfs/dbraw/zinc/74/36/01/950743601.db2.gz WKGPQYMZFMBSGZ-PLNGDYQASA-N -1 1 383.416 1.340 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)COC1CCCCC1 ZINC001575927826 950759912 /nfs/dbraw/zinc/75/99/12/950759912.db2.gz VCSQDEOFTIFWKZ-JSGCOSHPSA-N -1 1 386.460 1.407 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)COC1CCCCC1 ZINC001575927826 950759931 /nfs/dbraw/zinc/75/99/31/950759931.db2.gz VCSQDEOFTIFWKZ-JSGCOSHPSA-N -1 1 386.460 1.407 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cnn(C)c1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574764831 950765627 /nfs/dbraw/zinc/76/56/27/950765627.db2.gz ZCTPMXHKPNGQIE-ZETCQYMHSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cnn(C)c1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574764831 950765645 /nfs/dbraw/zinc/76/56/45/950765645.db2.gz ZCTPMXHKPNGQIE-ZETCQYMHSA-N -1 1 381.853 1.283 20 0 GDADMM CC(C)n1cnc(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@H]2C)c1 ZINC001575928037 950770173 /nfs/dbraw/zinc/77/01/73/950770173.db2.gz XXYCSJQEEKFDPI-NEPJUHHUSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1cnc(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@H]2C)c1 ZINC001575928037 950770193 /nfs/dbraw/zinc/77/01/93/950770193.db2.gz XXYCSJQEEKFDPI-NEPJUHHUSA-N -1 1 382.432 1.149 20 0 GDADMM CC1(C)CC(CC(=O)N2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C(C)(C)C2)C1 ZINC001575631524 950774192 /nfs/dbraw/zinc/77/41/92/950774192.db2.gz NZXKGUFKOQNJGV-ZDUSSCGKSA-N -1 1 384.488 1.554 20 0 GDADMM CC(C)(C)c1ccccc1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573884021 950779121 /nfs/dbraw/zinc/77/91/21/950779121.db2.gz CPDCULBGDDHKLG-ZDUSSCGKSA-N -1 1 392.467 1.963 20 0 GDADMM CC(C)(C)c1ccccc1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573884021 950779140 /nfs/dbraw/zinc/77/91/40/950779140.db2.gz CPDCULBGDDHKLG-ZDUSSCGKSA-N -1 1 392.467 1.963 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)(F)F)CC2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576219568 950807332 /nfs/dbraw/zinc/80/73/32/950807332.db2.gz OJKKFZJGIGFFKW-WCBMZHEXSA-N -1 1 382.350 1.258 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)(F)F)CC2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576219568 950807351 /nfs/dbraw/zinc/80/73/51/950807351.db2.gz OJKKFZJGIGFFKW-WCBMZHEXSA-N -1 1 382.350 1.258 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)COc1ccsc1 ZINC001575931871 950810320 /nfs/dbraw/zinc/81/03/20/950810320.db2.gz JFNPQBHIADCWHJ-ZYHUDNBSSA-N -1 1 386.441 1.199 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)COc1ccsc1 ZINC001575931871 950810350 /nfs/dbraw/zinc/81/03/50/950810350.db2.gz JFNPQBHIADCWHJ-ZYHUDNBSSA-N -1 1 386.441 1.199 20 0 GDADMM C[C@H]1[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCN1C(=O)c1cn[nH]c1 ZINC001575931935 950820036 /nfs/dbraw/zinc/82/00/36/950820036.db2.gz JMSHKVSBSHAEHW-XPUUQOCRSA-N -1 1 379.837 1.415 20 0 GDADMM CC1(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)CC(C)(C)C2)CCC1 ZINC001575638404 950828954 /nfs/dbraw/zinc/82/89/54/950828954.db2.gz BMYXTUINPLPIBF-ZDUSSCGKSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)CC(C)(C)C2)CCC1 ZINC001575638404 950828975 /nfs/dbraw/zinc/82/89/75/950828975.db2.gz BMYXTUINPLPIBF-ZDUSSCGKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cc(F)cc(F)c1 ZINC001575933400 950840683 /nfs/dbraw/zinc/84/06/83/950840683.db2.gz ONRBCBLRVHIVNU-TVQRCGJNSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(F)cc(F)c1 ZINC001575933400 950840699 /nfs/dbraw/zinc/84/06/99/950840699.db2.gz ONRBCBLRVHIVNU-TVQRCGJNSA-N -1 1 386.366 1.650 20 0 GDADMM CC(C)(C)c1ocnc1C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573887496 950845875 /nfs/dbraw/zinc/84/58/75/950845875.db2.gz FBSWTXJKHYNJRI-AOOOYVTPSA-N -1 1 383.416 1.315 20 0 GDADMM CC(C)(C)c1ocnc1C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573887496 950845889 /nfs/dbraw/zinc/84/58/89/950845889.db2.gz FBSWTXJKHYNJRI-AOOOYVTPSA-N -1 1 383.416 1.315 20 0 GDADMM CC(C)(C)c1ocnc1C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001573887850 950854614 /nfs/dbraw/zinc/85/46/14/950854614.db2.gz KZEILOMAXMNERV-UHFFFAOYSA-N -1 1 383.416 1.317 20 0 GDADMM CC(C)(C)c1ocnc1C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001573887850 950854637 /nfs/dbraw/zinc/85/46/37/950854637.db2.gz KZEILOMAXMNERV-UHFFFAOYSA-N -1 1 383.416 1.317 20 0 GDADMM C[C@@H]1CN(C(=O)C(C2CC2)C2CC2)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576221697 950857047 /nfs/dbraw/zinc/85/70/47/950857047.db2.gz VZLHZWQCLBBMGY-RISCZKNCSA-N -1 1 382.472 1.742 20 0 GDADMM C[C@@H]1CN(C(=O)C(C2CC2)C2CC2)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576221697 950857071 /nfs/dbraw/zinc/85/70/71/950857071.db2.gz VZLHZWQCLBBMGY-RISCZKNCSA-N -1 1 382.472 1.742 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C2CCC2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576222166 950863411 /nfs/dbraw/zinc/86/34/11/950863411.db2.gz XNCOIVGENADHDO-OLZOCXBDSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C2CCC2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576222166 950863424 /nfs/dbraw/zinc/86/34/24/950863424.db2.gz XNCOIVGENADHDO-OLZOCXBDSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C(F)F)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576222333 950867421 /nfs/dbraw/zinc/86/74/21/950867421.db2.gz YADNKGPEJIUORG-ZJUUUORDSA-N -1 1 380.403 1.454 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C(F)F)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576222333 950867433 /nfs/dbraw/zinc/86/74/33/950867433.db2.gz YADNKGPEJIUORG-ZJUUUORDSA-N -1 1 380.403 1.454 20 0 GDADMM CC1(C)C[C@@H](NC(=O)c2cnco2)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575639554 950870434 /nfs/dbraw/zinc/87/04/34/950870434.db2.gz BXFQCEGMMZXZQJ-NSHDSACASA-N -1 1 383.416 1.070 20 0 GDADMM CC1(C)C[C@H]1C(=O)N(CCO)CCNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575639564 950870695 /nfs/dbraw/zinc/87/06/95/950870695.db2.gz CBGPBQONPOJQBV-QMMMGPOBSA-N -1 1 385.881 1.256 20 0 GDADMM CC1(C)C[C@H]1C(=O)N(CCO)CCNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575639564 950870711 /nfs/dbraw/zinc/87/07/11/950870711.db2.gz CBGPBQONPOJQBV-QMMMGPOBSA-N -1 1 385.881 1.256 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc(C(F)F)o1 ZINC001575936842 950927760 /nfs/dbraw/zinc/92/77/60/950927760.db2.gz IXGLYBDPLXKWQR-DTWKUNHWSA-N -1 1 390.354 1.902 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc(C(F)F)o1 ZINC001575936842 950927789 /nfs/dbraw/zinc/92/77/89/950927789.db2.gz IXGLYBDPLXKWQR-DTWKUNHWSA-N -1 1 390.354 1.902 20 0 GDADMM C[C@@H]1CC(=O)CC[C@@H]1C(=O)Nc1c(-c2nn[n-]n2)nnn1Cc1ccccc1 ZINC001575936905 950932392 /nfs/dbraw/zinc/93/23/92/950932392.db2.gz AOOFAPKXFMQVSR-RISCZKNCSA-N -1 1 380.412 1.450 20 0 GDADMM C[C@H]1CN(C(=O)C2(C3CCC3)CCC2)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576228612 950950548 /nfs/dbraw/zinc/95/05/48/950950548.db2.gz HWIATKBVUHGJLH-WFASDCNBSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@H]1CN(C(=O)C2(C3CCC3)CCC2)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576228612 950950568 /nfs/dbraw/zinc/95/05/68/950950568.db2.gz HWIATKBVUHGJLH-WFASDCNBSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@H]1CN(C(=O)C2(F)CCCC2)CC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576229070 950958845 /nfs/dbraw/zinc/95/88/45/950958845.db2.gz IQNFJBPEFFWSRL-QWHCGFSZSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@H]1CN(C(=O)C2(F)CCCC2)CC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576229070 950958866 /nfs/dbraw/zinc/95/88/66/950958866.db2.gz IQNFJBPEFFWSRL-QWHCGFSZSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@H]1CN(C(=O)C2(CF)CCC2)CC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576229089 950960214 /nfs/dbraw/zinc/96/02/14/950960214.db2.gz ITXVNURCDKGLRE-STQMWFEESA-N -1 1 388.451 1.693 20 0 GDADMM C[C@H]1CN(C(=O)C2(CF)CCC2)CC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576229089 950960225 /nfs/dbraw/zinc/96/02/25/950960225.db2.gz ITXVNURCDKGLRE-STQMWFEESA-N -1 1 388.451 1.693 20 0 GDADMM CC1(C)C[C@@H](NC(=O)C2CCCC2)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575643197 950965139 /nfs/dbraw/zinc/96/51/39/950965139.db2.gz ZQQISMISROPSDD-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)C[C@@H](NC(=O)C2CCCC2)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575643197 950965155 /nfs/dbraw/zinc/96/51/55/950965155.db2.gz ZQQISMISROPSDD-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)C[C@H]1C(=O)N(CCNc1ccnc(-c2nn[n-]n2)n1)Cc1ccccc1 ZINC001575643191 950967043 /nfs/dbraw/zinc/96/70/43/950967043.db2.gz ZNOKJSQCSQJKRM-HNNXBMFYSA-N -1 1 392.467 1.565 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)CCCCCC2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576229540 950974000 /nfs/dbraw/zinc/97/40/00/950974000.db2.gz KEKCQMKJSXLOPZ-KBPBESRZSA-N -1 1 384.488 1.698 20 0 GDADMM CC(C)(CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001573899486 950977788 /nfs/dbraw/zinc/97/77/88/950977788.db2.gz AMNHIMGXFSCPRQ-RDBSUJKOSA-N -1 1 382.472 1.709 20 0 GDADMM CC(C)(CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001573899486 950977807 /nfs/dbraw/zinc/97/78/07/950977807.db2.gz AMNHIMGXFSCPRQ-RDBSUJKOSA-N -1 1 382.472 1.709 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)cc1F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575024158 951092644 /nfs/dbraw/zinc/09/26/44/951092644.db2.gz WNGCMBUCLHWFMM-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)cc1F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575024158 951092660 /nfs/dbraw/zinc/09/26/60/951092660.db2.gz WNGCMBUCLHWFMM-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)c(Cl)c1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575024273 951099526 /nfs/dbraw/zinc/09/95/26/951099526.db2.gz ZINLZHOELJPBMF-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)c(Cl)c1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575024273 951099537 /nfs/dbraw/zinc/09/95/37/951099537.db2.gz ZINLZHOELJPBMF-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2ccccc2n1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575026242 951140729 /nfs/dbraw/zinc/14/07/29/951140729.db2.gz HNBNRIOFFINGKS-GFCCVEGCSA-N -1 1 389.423 1.683 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2ccccc2n1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575026242 951140736 /nfs/dbraw/zinc/14/07/36/951140736.db2.gz HNBNRIOFFINGKS-GFCCVEGCSA-N -1 1 389.423 1.683 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(Cl)c1F)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575026962 951149794 /nfs/dbraw/zinc/14/97/94/951149794.db2.gz OOJZWZBEMWNJPY-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(Cl)c1F)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575026962 951149807 /nfs/dbraw/zinc/14/98/07/951149807.db2.gz OOJZWZBEMWNJPY-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1cccc(C(F)F)c1F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575028060 951168042 /nfs/dbraw/zinc/16/80/42/951168042.db2.gz UBSJEMFBJHRSDT-MRVPVSSYSA-N -1 1 392.345 1.964 20 0 GDADMM C[C@H](CNC(=O)c1cccc(C(F)F)c1F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575028060 951168043 /nfs/dbraw/zinc/16/80/43/951168043.db2.gz UBSJEMFBJHRSDT-MRVPVSSYSA-N -1 1 392.345 1.964 20 0 GDADMM C[C@H](CNC(=O)c1cccc2c1CCCCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575029407 951187706 /nfs/dbraw/zinc/18/77/06/951187706.db2.gz UXEXTENKYMNDPB-CYBMUJFWSA-N -1 1 392.467 1.578 20 0 GDADMM C[C@H](CNC(=O)c1ccccc1C1(C)CC1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575029696 951189937 /nfs/dbraw/zinc/18/99/37/951189937.db2.gz WVSBCVYWPXXPCK-CYBMUJFWSA-N -1 1 392.467 1.963 20 0 GDADMM C[C@H](CNC(=O)c1ccccc1C1(C)CC1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575029696 951189946 /nfs/dbraw/zinc/18/99/46/951189946.db2.gz WVSBCVYWPXXPCK-CYBMUJFWSA-N -1 1 392.467 1.963 20 0 GDADMM CC(C)Oc1ccccc1C(=O)NC[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575032095 951215213 /nfs/dbraw/zinc/21/52/13/951215213.db2.gz QJHQWXSTAVFFCR-GFCCVEGCSA-N -1 1 382.428 1.674 20 0 GDADMM CC(C)Oc1ccccc1C(=O)NC[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575032095 951215224 /nfs/dbraw/zinc/21/52/24/951215224.db2.gz QJHQWXSTAVFFCR-GFCCVEGCSA-N -1 1 382.428 1.674 20 0 GDADMM CC(C)Oc1ncccc1C(=O)NC[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575032348 951223156 /nfs/dbraw/zinc/22/31/56/951223156.db2.gz XMTSOZZFKHXTMW-LLVKDONJSA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1ncccc1C(=O)NC[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575032348 951223168 /nfs/dbraw/zinc/22/31/68/951223168.db2.gz XMTSOZZFKHXTMW-LLVKDONJSA-N -1 1 383.416 1.069 20 0 GDADMM C[C@@H](CNC(=O)c1ccn(C(C)(C)C)n1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575035176 951270218 /nfs/dbraw/zinc/27/02/18/951270218.db2.gz HBRXYTIMRZWBRW-LLVKDONJSA-N -1 1 384.448 1.086 20 0 GDADMM C[C@@H](CNC(=O)c1ccn(C(C)(C)C)n1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575035176 951270231 /nfs/dbraw/zinc/27/02/31/951270231.db2.gz HBRXYTIMRZWBRW-LLVKDONJSA-N -1 1 384.448 1.086 20 0 GDADMM C[C@@H](CNC(=O)c1ccns1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001575038887 951326472 /nfs/dbraw/zinc/32/64/72/951326472.db2.gz MQOOVHCZFUATFX-LURJTMIESA-N -1 1 384.878 1.688 20 0 GDADMM C[C@@H](CNC(=O)c1ccns1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001575038887 951326488 /nfs/dbraw/zinc/32/64/88/951326488.db2.gz MQOOVHCZFUATFX-LURJTMIESA-N -1 1 384.878 1.688 20 0 GDADMM CCOc1ccc([C@@H](O)C2CCN([C@H]3CCN(CC(=O)[O-])C3=O)CC2)cc1 ZINC001592426081 951327765 /nfs/dbraw/zinc/32/77/65/951327765.db2.gz JKZFNQVQPPEVPW-PKOBYXMFSA-N -1 1 376.453 1.516 20 0 GDADMM C[C@@H]1CN(Cc2ccccc2)C[C@H]1NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000389798135 951358170 /nfs/dbraw/zinc/35/81/70/951358170.db2.gz QRBPJZVSOOSEEC-RHSMWYFYSA-N -1 1 381.498 1.138 20 0 GDADMM C[C@@H](CNC(=O)c1cnc(C2CC2)s1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575043579 951400139 /nfs/dbraw/zinc/40/01/39/951400139.db2.gz KGRILHNTXLQGMZ-VIFPVBQESA-N -1 1 385.457 1.245 20 0 GDADMM C[C@H](CNC(=O)c1cnc(C2CC2)s1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575044631 951415884 /nfs/dbraw/zinc/41/58/84/951415884.db2.gz SXTCIFDYKPHBRI-VIFPVBQESA-N -1 1 385.457 1.469 20 0 GDADMM C[C@H](CNC(=O)c1cnc(C2CC2)s1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575044631 951415894 /nfs/dbraw/zinc/41/58/94/951415894.db2.gz SXTCIFDYKPHBRI-VIFPVBQESA-N -1 1 385.457 1.469 20 0 GDADMM C[C@@H](CNC(=O)c1cnccn1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575046452 951442284 /nfs/dbraw/zinc/44/22/84/951442284.db2.gz OJWGAHDAZUNCHX-ZETCQYMHSA-N -1 1 379.837 1.245 20 0 GDADMM CC(C)c1nc(C(=O)NC[C@H](C)CNc2ccc(-c3nnn[n-]3)nn2)cs1 ZINC001575057886 951531929 /nfs/dbraw/zinc/53/19/29/951531929.db2.gz SILJIFGTCMNPCN-SNVBAGLBSA-N -1 1 387.473 1.715 20 0 GDADMM CC(C)c1nc(C(=O)NC[C@H](C)CNc2ccc(-c3nn[n-]n3)nn2)cs1 ZINC001575057886 951531936 /nfs/dbraw/zinc/53/19/36/951531936.db2.gz SILJIFGTCMNPCN-SNVBAGLBSA-N -1 1 387.473 1.715 20 0 GDADMM CC(C)(C)OC(=O)CCC[N@H+]1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001602877993 971754500 /nfs/dbraw/zinc/75/45/00/971754500.db2.gz JICNWNOLDZEEDD-PWSUYJOCSA-N -1 1 382.379 1.704 20 0 GDADMM C[C@H](CNC(=O)c1ncc(Cl)s1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575062112 951566667 /nfs/dbraw/zinc/56/66/67/951566667.db2.gz UAIYFXPVDJOIRG-SSDOTTSWSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@H](CNC(=O)c1ncc(Cl)s1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575062112 951566672 /nfs/dbraw/zinc/56/66/72/951566672.db2.gz UAIYFXPVDJOIRG-SSDOTTSWSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@@H](CNC(=O)c1noc2c1CCCC2)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575064920 951579738 /nfs/dbraw/zinc/57/97/38/951579738.db2.gz FIQFIHKLDBSKHK-SNVBAGLBSA-N -1 1 383.416 1.002 20 0 GDADMM C[C@@H](CNC(=O)c1noc2c1CCCC2)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575064920 951579746 /nfs/dbraw/zinc/57/97/46/951579746.db2.gz FIQFIHKLDBSKHK-SNVBAGLBSA-N -1 1 383.416 1.002 20 0 GDADMM CC(C)c1scnc1C(=O)NC[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001575067256 951606325 /nfs/dbraw/zinc/60/63/25/951606325.db2.gz POUIWIDVOXEWCA-JTQLQIEISA-N -1 1 387.473 1.715 20 0 GDADMM CC(C)c1scnc1C(=O)NC[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001575067256 951606330 /nfs/dbraw/zinc/60/63/30/951606330.db2.gz POUIWIDVOXEWCA-JTQLQIEISA-N -1 1 387.473 1.715 20 0 GDADMM C[C@H](CNC(=O)c1noc2c1CCCCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001575067404 951610809 /nfs/dbraw/zinc/61/08/09/951610809.db2.gz SBXBLRWXIAVQQI-SNVBAGLBSA-N -1 1 383.416 1.144 20 0 GDADMM C[C@H](CNC(=O)c1noc2c1CCCCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001575067404 951610819 /nfs/dbraw/zinc/61/08/19/951610819.db2.gz SBXBLRWXIAVQQI-SNVBAGLBSA-N -1 1 383.416 1.144 20 0 GDADMM C[C@@H](CNC(=O)c1scnc1C1CC1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575069384 951643465 /nfs/dbraw/zinc/64/34/65/951643465.db2.gz IHJKSUOHPFELPJ-VIFPVBQESA-N -1 1 385.457 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1scnc1C1CC1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575069384 951643471 /nfs/dbraw/zinc/64/34/71/951643471.db2.gz IHJKSUOHPFELPJ-VIFPVBQESA-N -1 1 385.457 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1sccc1C(F)F)Nc1nccnc1-c1nnn[n-]1 ZINC001575069900 951647351 /nfs/dbraw/zinc/64/73/51/951647351.db2.gz NFQXIEBTENPXRV-ZETCQYMHSA-N -1 1 380.384 1.886 20 0 GDADMM C[C@@H](CNC(=O)c1sccc1C(F)F)Nc1nccnc1-c1nn[n-]n1 ZINC001575069900 951647356 /nfs/dbraw/zinc/64/73/56/951647356.db2.gz NFQXIEBTENPXRV-ZETCQYMHSA-N -1 1 380.384 1.886 20 0 GDADMM C[C@@H](CNC(=O)c1onc2c1CCCC2)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575070579 951652412 /nfs/dbraw/zinc/65/24/12/951652412.db2.gz RUQHLCHRBYTDOR-SNVBAGLBSA-N -1 1 383.416 1.002 20 0 GDADMM C[C@@H](CNC(=O)c1onc2c1CCCC2)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575070579 951652417 /nfs/dbraw/zinc/65/24/17/951652417.db2.gz RUQHLCHRBYTDOR-SNVBAGLBSA-N -1 1 383.416 1.002 20 0 GDADMM O=C([O-])CN1CCC[C@@H](C(=O)Nc2nc(-c3ccc4ccccc4n3)n[nH]2)C1=O ZINC001595086291 951731176 /nfs/dbraw/zinc/73/11/76/951731176.db2.gz AUDLNEBTBWJKTI-LBPRGKRZSA-N -1 1 394.391 1.282 20 0 GDADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)Cc1ccsc1)C1CC1 ZINC001575129579 952081165 /nfs/dbraw/zinc/08/11/65/952081165.db2.gz WCOKWQIJHVASTD-QGZVFWFLSA-N -1 1 384.469 1.658 20 0 GDADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)Cc1ccsc1)C1CC1 ZINC001575129579 952081170 /nfs/dbraw/zinc/08/11/70/952081170.db2.gz WCOKWQIJHVASTD-QGZVFWFLSA-N -1 1 384.469 1.658 20 0 GDADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)CC1CC(F)(F)C1)C1CC1 ZINC001575129635 952084799 /nfs/dbraw/zinc/08/47/99/952084799.db2.gz XTKDCSCCNNCWTB-MRXNPFEDSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)CC1CC(F)(F)C1)C1CC1 ZINC001575129635 952084808 /nfs/dbraw/zinc/08/48/08/952084808.db2.gz XTKDCSCCNNCWTB-MRXNPFEDSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)C[C@H]1CCCOC1)C1CC1 ZINC001575129687 952086215 /nfs/dbraw/zinc/08/62/15/952086215.db2.gz YVMJUYBWEDCHNW-KZULUSFZSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)C[C@H]1CCCOC1)C1CC1 ZINC001575129687 952086225 /nfs/dbraw/zinc/08/62/25/952086225.db2.gz YVMJUYBWEDCHNW-KZULUSFZSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ccc2c(c1)CCC2 ZINC001575132187 952091160 /nfs/dbraw/zinc/09/11/60/952091160.db2.gz DHINNKCRRUQRPK-GFCCVEGCSA-N -1 1 378.440 1.718 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ccc2c(c1)CCC2 ZINC001575132187 952091169 /nfs/dbraw/zinc/09/11/69/952091169.db2.gz DHINNKCRRUQRPK-GFCCVEGCSA-N -1 1 378.440 1.718 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@]1(C)CCc2ccccc21 ZINC001575133015 952100398 /nfs/dbraw/zinc/10/03/98/952100398.db2.gz JIHDEXJZUNDOAG-XCLFUZPHSA-N -1 1 392.467 1.820 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@]1(C)CCc2ccccc21 ZINC001575133015 952100402 /nfs/dbraw/zinc/10/04/02/952100402.db2.gz JIHDEXJZUNDOAG-XCLFUZPHSA-N -1 1 392.467 1.820 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cc2c(o1)CCCC2 ZINC001575134087 952107692 /nfs/dbraw/zinc/10/76/92/952107692.db2.gz LYISVGQWWKNENE-LLVKDONJSA-N -1 1 382.428 1.701 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cc2c(o1)CCCC2 ZINC001575134087 952107701 /nfs/dbraw/zinc/10/77/01/952107701.db2.gz LYISVGQWWKNENE-LLVKDONJSA-N -1 1 382.428 1.701 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ccc(C(F)F)o1 ZINC001575135313 952117007 /nfs/dbraw/zinc/11/70/07/952117007.db2.gz QJRJRAUAROAGPF-QMMMGPOBSA-N -1 1 378.343 1.760 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ccc(C(F)F)o1 ZINC001575135313 952117014 /nfs/dbraw/zinc/11/70/14/952117014.db2.gz QJRJRAUAROAGPF-QMMMGPOBSA-N -1 1 378.343 1.760 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001575136437 952125527 /nfs/dbraw/zinc/12/55/27/952125527.db2.gz VGGZOXZQCOUALT-KWCYVHTRSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001575136437 952125534 /nfs/dbraw/zinc/12/55/34/952125534.db2.gz VGGZOXZQCOUALT-KWCYVHTRSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)C[C@H]1CCCCO1)C1CC1 ZINC001575147796 952201124 /nfs/dbraw/zinc/20/11/24/952201124.db2.gz WEEMQZBFAIWQPB-ACJLOTCBSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)C[C@H]1CCCCO1)C1CC1 ZINC001575147796 952201126 /nfs/dbraw/zinc/20/11/26/952201126.db2.gz WEEMQZBFAIWQPB-ACJLOTCBSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H]1CCCC(F)(F)C1 ZINC001575153952 952215187 /nfs/dbraw/zinc/21/51/87/952215187.db2.gz MNZHLJROIQZTCJ-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H]1CCCC(F)(F)C1 ZINC001575153952 952215190 /nfs/dbraw/zinc/21/51/90/952215190.db2.gz MNZHLJROIQZTCJ-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)Cc1c[nH]c2ncccc12 ZINC001575154254 952220608 /nfs/dbraw/zinc/22/06/08/952220608.db2.gz QQEGQNXCCMLBJD-LLVKDONJSA-N -1 1 392.427 1.035 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)Cc1c[nH]c2ncccc12 ZINC001575154254 952220614 /nfs/dbraw/zinc/22/06/14/952220614.db2.gz QQEGQNXCCMLBJD-LLVKDONJSA-N -1 1 392.427 1.035 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)CCCc1cccs1 ZINC001575155457 952240655 /nfs/dbraw/zinc/24/06/55/952240655.db2.gz YUSGFNBYJQNYOU-GFCCVEGCSA-N -1 1 386.485 2.000 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)CCCc1cccs1 ZINC001575155457 952240664 /nfs/dbraw/zinc/24/06/64/952240664.db2.gz YUSGFNBYJQNYOU-GFCCVEGCSA-N -1 1 386.485 2.000 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cccnc1C(F)F ZINC001575156163 952249469 /nfs/dbraw/zinc/24/94/69/952249469.db2.gz CWGLDOPEWYAFTD-SECBINFHSA-N -1 1 389.370 1.562 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cccnc1C(F)F ZINC001575156163 952249473 /nfs/dbraw/zinc/24/94/73/952249473.db2.gz CWGLDOPEWYAFTD-SECBINFHSA-N -1 1 389.370 1.562 20 0 GDADMM C[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575157812 952267946 /nfs/dbraw/zinc/26/79/46/952267946.db2.gz POARGKCHYHIXGG-KBPBESRZSA-N -1 1 380.456 1.794 20 0 GDADMM C[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575157812 952267950 /nfs/dbraw/zinc/26/79/50/952267950.db2.gz POARGKCHYHIXGG-KBPBESRZSA-N -1 1 380.456 1.794 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1ccc(F)c(F)c1F ZINC001575159039 952275192 /nfs/dbraw/zinc/27/51/92/952275192.db2.gz YDMMCNXSYYARAY-QMMMGPOBSA-N -1 1 392.345 1.647 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc(F)c(F)c1F ZINC001575159039 952275198 /nfs/dbraw/zinc/27/51/98/952275198.db2.gz YDMMCNXSYYARAY-QMMMGPOBSA-N -1 1 392.345 1.647 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1ccnn1C1CCC1 ZINC001575159278 952276573 /nfs/dbraw/zinc/27/65/73/952276573.db2.gz ZJSVOSYRAFNGAK-LLVKDONJSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccnn1C1CCC1 ZINC001575159278 952276577 /nfs/dbraw/zinc/27/65/77/952276577.db2.gz ZJSVOSYRAFNGAK-LLVKDONJSA-N -1 1 382.432 1.151 20 0 GDADMM O=C([O-])[C@@]12COC[C@@H]1CN(Cc1cccc(F)c1I)C2 ZINC001595192074 952286673 /nfs/dbraw/zinc/28/66/73/952286673.db2.gz DIOFBAGRDHOLPA-HZMBPMFUSA-N -1 1 391.180 1.963 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)c1cccnn1 ZINC001575164304 952290664 /nfs/dbraw/zinc/29/06/64/952290664.db2.gz CUTCWAFDBGIPFU-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)c1cccnn1 ZINC001575164304 952290671 /nfs/dbraw/zinc/29/06/71/952290671.db2.gz CUTCWAFDBGIPFU-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)c1cnn(C)c1 ZINC001575165113 952305223 /nfs/dbraw/zinc/30/52/23/952305223.db2.gz LHQFNTODNOZJNN-ZETCQYMHSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)c1ccnnc1 ZINC001575166768 952327408 /nfs/dbraw/zinc/32/74/08/952327408.db2.gz YWGPGMPKSXRBQK-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)Cc1ncc[nH]1 ZINC001575176616 952396345 /nfs/dbraw/zinc/39/63/45/952396345.db2.gz FBQLDABJWFQAAS-SSDOTTSWSA-N -1 1 381.853 1.201 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)Cc1ncc[nH]1 ZINC001575176616 952396349 /nfs/dbraw/zinc/39/63/49/952396349.db2.gz FBQLDABJWFQAAS-SSDOTTSWSA-N -1 1 381.853 1.201 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)Cc1ccc[nH]1 ZINC001575177029 952397253 /nfs/dbraw/zinc/39/72/53/952397253.db2.gz GEFILXKDXROUKG-QMMMGPOBSA-N -1 1 380.865 1.806 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)Cc1ccc[nH]1 ZINC001575177029 952397261 /nfs/dbraw/zinc/39/72/61/952397261.db2.gz GEFILXKDXROUKG-QMMMGPOBSA-N -1 1 380.865 1.806 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)[C@H]1CC1(F)F ZINC001575178762 952407762 /nfs/dbraw/zinc/40/77/62/952407762.db2.gz MQEWZYXOTKWSFE-PHDIDXHHSA-N -1 1 377.808 1.891 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)[C@H]1CC1(F)F ZINC001575178762 952407768 /nfs/dbraw/zinc/40/77/68/952407768.db2.gz MQEWZYXOTKWSFE-PHDIDXHHSA-N -1 1 377.808 1.891 20 0 GDADMM Cc1ncc(Br)c(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)n1 ZINC001571114114 952448677 /nfs/dbraw/zinc/44/86/77/952448677.db2.gz BPCXZVWUDOMSAV-UHFFFAOYSA-N -1 1 375.190 1.053 20 0 GDADMM Cc1ncc(Br)c(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)n1 ZINC001571114114 952448681 /nfs/dbraw/zinc/44/86/81/952448681.db2.gz BPCXZVWUDOMSAV-UHFFFAOYSA-N -1 1 375.190 1.053 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)Cc1cccc(F)c1 ZINC001575188572 952448758 /nfs/dbraw/zinc/44/87/58/952448758.db2.gz JNKMOWUHUOHZIC-VXGBXAGGSA-N -1 1 384.419 1.013 20 0 GDADMM C[C@H](Cc1cccc(F)c1)C(=O)N[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001575191989 952470503 /nfs/dbraw/zinc/47/05/03/952470503.db2.gz ZZJXHPRQBCYGPK-NEPJUHHUSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@H](Cc1cccc(F)c1)C(=O)N[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001575191989 952470508 /nfs/dbraw/zinc/47/05/08/952470508.db2.gz ZZJXHPRQBCYGPK-NEPJUHHUSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@]1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575195862 952473049 /nfs/dbraw/zinc/47/30/49/952473049.db2.gz CGKKJDFQUDIVJQ-KZULUSFZSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575196160 952474448 /nfs/dbraw/zinc/47/44/48/952474448.db2.gz DWAOIUAHPFQIKV-UPJWGTAASA-N -1 1 382.428 1.435 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575196160 952474451 /nfs/dbraw/zinc/47/44/51/952474451.db2.gz DWAOIUAHPFQIKV-UPJWGTAASA-N -1 1 382.428 1.435 20 0 GDADMM C=Cc1ccc(C(=O)N2CCC(Nc3ccnc(-c4nn[n-]n4)n3)CC2)cc1 ZINC001571120909 952511139 /nfs/dbraw/zinc/51/11/39/952511139.db2.gz TYMRBFUVSNPDHV-UHFFFAOYSA-N -1 1 376.424 1.438 20 0 GDADMM CC[C@@H](F)C(=O)N1CCC([C@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001571121585 952520299 /nfs/dbraw/zinc/52/02/99/952520299.db2.gz AACLIWFUFIGIQV-WCQYABFASA-N -1 1 376.440 1.752 20 0 GDADMM CC[C@@H](F)C(=O)N1CCC([C@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001571121585 952520302 /nfs/dbraw/zinc/52/03/02/952520302.db2.gz AACLIWFUFIGIQV-WCQYABFASA-N -1 1 376.440 1.752 20 0 GDADMM CC[C@@H](SC)C(=O)N1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001571122358 952524815 /nfs/dbraw/zinc/52/48/15/952524815.db2.gz IXHXFLOXSJUQOJ-CYBMUJFWSA-N -1 1 376.490 1.145 20 0 GDADMM CC[C@@H](SC)C(=O)N1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001571122358 952524819 /nfs/dbraw/zinc/52/48/19/952524819.db2.gz IXHXFLOXSJUQOJ-CYBMUJFWSA-N -1 1 376.490 1.145 20 0 GDADMM C[C@H](Cn1cncn1)NS(=O)(=O)c1c2ccccc2sc1-c1nn[n-]n1 ZINC001575207936 952537531 /nfs/dbraw/zinc/53/75/31/952537531.db2.gz WPKJWGSGUZPMPQ-SECBINFHSA-N -1 1 390.454 1.040 20 0 GDADMM CS(=O)(=O)CCOc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)o2)cc1 ZINC001571124978 952546160 /nfs/dbraw/zinc/54/61/60/952546160.db2.gz XFBILUBENKXXAX-UHFFFAOYSA-N -1 1 377.382 1.135 20 0 GDADMM O=C(N[C@@H]1[C@H]2CN(c3nc(Cl)c(-c4nnn[n-]4)s3)C[C@H]21)C1=CCCC1 ZINC001571127411 952555103 /nfs/dbraw/zinc/55/51/03/952555103.db2.gz GPVPVUBUTGQXHC-MYJAWHEDSA-N -1 1 377.861 1.638 20 0 GDADMM O=C(N[C@@H]1[C@H]2CN(c3nc(Cl)c(-c4nn[n-]n4)s3)C[C@H]21)C1=CCCC1 ZINC001571127411 952555110 /nfs/dbraw/zinc/55/51/10/952555110.db2.gz GPVPVUBUTGQXHC-MYJAWHEDSA-N -1 1 377.861 1.638 20 0 GDADMM CCc1nc(N[C@@H]2CN(C(=O)[C@@H]3CC3(F)F)C[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571129241 952574124 /nfs/dbraw/zinc/57/41/24/952574124.db2.gz BOYZZHHVJCLRIL-WCABBAIRSA-N -1 1 378.387 1.133 20 0 GDADMM CCc1nc(N[C@@H]2CN(C(=O)[C@@H]3CC3(F)F)C[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571129241 952574126 /nfs/dbraw/zinc/57/41/26/952574126.db2.gz BOYZZHHVJCLRIL-WCABBAIRSA-N -1 1 378.387 1.133 20 0 GDADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H]1CCN(C(=O)C2(C(F)F)CC2)C1 ZINC001571129536 952575065 /nfs/dbraw/zinc/57/50/65/952575065.db2.gz GISDXRJZPSYVMQ-ZJUUUORDSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)C2(C(F)F)CC2)C1 ZINC001571129536 952575067 /nfs/dbraw/zinc/57/50/67/952575067.db2.gz GISDXRJZPSYVMQ-ZJUUUORDSA-N -1 1 378.387 1.351 20 0 GDADMM COc1ccc(F)cc1CS(=O)(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001571129675 952576463 /nfs/dbraw/zinc/57/64/63/952576463.db2.gz HNKZHHAJUZBFNP-UHFFFAOYSA-N -1 1 378.389 1.029 20 0 GDADMM COc1ccc(F)cc1CS(=O)(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001571129675 952576465 /nfs/dbraw/zinc/57/64/65/952576465.db2.gz HNKZHHAJUZBFNP-UHFFFAOYSA-N -1 1 378.389 1.029 20 0 GDADMM Cc1cc(F)cc(-c2nn[n-]n2)c1S(=O)(=O)N(C)Cc1cccc(=O)[nH]1 ZINC001571130229 952579375 /nfs/dbraw/zinc/57/93/75/952579375.db2.gz QDZOIKLASMKJGW-UHFFFAOYSA-N -1 1 378.389 1.236 20 0 GDADMM O=C([C@H]1CCC1(F)F)N1CCC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571130733 952582056 /nfs/dbraw/zinc/58/20/56/952582056.db2.gz VSEBBRMVSRJTGW-WDEREUQCSA-N -1 1 378.387 1.353 20 0 GDADMM O=C([C@H]1CCC1(F)F)N1CCC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571130733 952582057 /nfs/dbraw/zinc/58/20/57/952582057.db2.gz VSEBBRMVSRJTGW-WDEREUQCSA-N -1 1 378.387 1.353 20 0 GDADMM Cc1ccc(CC(=O)N(C)C2CC(Nc3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001571133988 952583389 /nfs/dbraw/zinc/58/33/89/952583389.db2.gz AQQMIVSZFKSRIH-UHFFFAOYSA-N -1 1 378.440 1.609 20 0 GDADMM Cc1ccc(CC(=O)N(C)C2CC(Nc3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571133988 952583391 /nfs/dbraw/zinc/58/33/91/952583391.db2.gz AQQMIVSZFKSRIH-UHFFFAOYSA-N -1 1 378.440 1.609 20 0 GDADMM Cc1cccc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)c1C ZINC001571134216 952587479 /nfs/dbraw/zinc/58/74/79/952587479.db2.gz GHTCNHBLOSCNFA-CQSZACIVSA-N -1 1 378.440 1.672 20 0 GDADMM Cc1cccc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)c1C ZINC001571134216 952587484 /nfs/dbraw/zinc/58/74/84/952587484.db2.gz GHTCNHBLOSCNFA-CQSZACIVSA-N -1 1 378.440 1.672 20 0 GDADMM CCc1ccccc1C(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571134398 952589462 /nfs/dbraw/zinc/58/94/62/952589462.db2.gz FOSLQVVTOYQJBT-AWEZNQCLSA-N -1 1 378.440 1.936 20 0 GDADMM CCc1ccccc1C(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571134398 952589465 /nfs/dbraw/zinc/58/94/65/952589465.db2.gz FOSLQVVTOYQJBT-AWEZNQCLSA-N -1 1 378.440 1.936 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001571134793 952595333 /nfs/dbraw/zinc/59/53/33/952595333.db2.gz LOQUJOWVEMYCMM-HIFRSBDPSA-N -1 1 378.440 1.545 20 0 GDADMM Cc1ccc(C(=O)NCC2CC(Nc3cnc(-c4nnn[n-]4)cn3)C2)c(C)c1 ZINC001571134780 952595449 /nfs/dbraw/zinc/59/54/49/952595449.db2.gz MSGTVRDBCYAADF-UHFFFAOYSA-N -1 1 378.440 1.894 20 0 GDADMM Cc1ccc(C(=O)NCC2CC(Nc3cnc(-c4nn[n-]n4)cn3)C2)c(C)c1 ZINC001571134780 952595452 /nfs/dbraw/zinc/59/54/52/952595452.db2.gz MSGTVRDBCYAADF-UHFFFAOYSA-N -1 1 378.440 1.894 20 0 GDADMM Cc1ccc(C(=O)NC[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c(C)c1 ZINC001571135130 952599706 /nfs/dbraw/zinc/59/97/06/952599706.db2.gz RZPBVGBVHIHAIT-HDJSIYSDSA-N -1 1 378.440 1.894 20 0 GDADMM Cc1ccc(C(=O)NC[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c(C)c1 ZINC001571135130 952599711 /nfs/dbraw/zinc/59/97/11/952599711.db2.gz RZPBVGBVHIHAIT-HDJSIYSDSA-N -1 1 378.440 1.894 20 0 GDADMM Cc1cccc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)c1C ZINC001571135191 952600332 /nfs/dbraw/zinc/60/03/32/952600332.db2.gz SUQURXZEXCFYNL-AWEZNQCLSA-N -1 1 378.440 1.672 20 0 GDADMM Cc1cccc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)c1C ZINC001571135191 952600335 /nfs/dbraw/zinc/60/03/35/952600335.db2.gz SUQURXZEXCFYNL-AWEZNQCLSA-N -1 1 378.440 1.672 20 0 GDADMM Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571135187 952600465 /nfs/dbraw/zinc/60/04/65/952600465.db2.gz SSNQUQXILXRDSK-UKRRQHHQSA-N -1 1 378.440 1.467 20 0 GDADMM Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571135187 952600473 /nfs/dbraw/zinc/60/04/73/952600473.db2.gz SSNQUQXILXRDSK-UKRRQHHQSA-N -1 1 378.440 1.467 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001571135345 952602941 /nfs/dbraw/zinc/60/29/41/952602941.db2.gz UKZXZKCZBSLDOF-ZFWWWQNUSA-N -1 1 378.440 1.285 20 0 GDADMM Cc1cccc(C)c1C(=O)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571135397 952603514 /nfs/dbraw/zinc/60/35/14/952603514.db2.gz WTGKSPZCCWOBCH-CQSZACIVSA-N -1 1 378.440 1.990 20 0 GDADMM Cc1cccc(C)c1C(=O)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571135397 952603516 /nfs/dbraw/zinc/60/35/16/952603516.db2.gz WTGKSPZCCWOBCH-CQSZACIVSA-N -1 1 378.440 1.990 20 0 GDADMM Cc1cccc(C)c1C(=O)N1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571135387 952603618 /nfs/dbraw/zinc/60/36/18/952603618.db2.gz WNHFPKFHWMCSHR-CQSZACIVSA-N -1 1 378.440 1.848 20 0 GDADMM Cc1cccc(C)c1C(=O)N1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571135387 952603624 /nfs/dbraw/zinc/60/36/24/952603624.db2.gz WNHFPKFHWMCSHR-CQSZACIVSA-N -1 1 378.440 1.848 20 0 GDADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001571135564 952605542 /nfs/dbraw/zinc/60/55/42/952605542.db2.gz XAGGLSRHWKCBLP-DZGCQCFKSA-N -1 1 378.440 1.431 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](NC(=O)Cc3ccccc3)C2)n1 ZINC001571135586 952605804 /nfs/dbraw/zinc/60/58/04/952605804.db2.gz XWFGQFRQWNAWGG-OAHLLOKOSA-N -1 1 378.440 1.293 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](NC(=O)Cc3ccccc3)C2)n1 ZINC001571135586 952605808 /nfs/dbraw/zinc/60/58/08/952605808.db2.gz XWFGQFRQWNAWGG-OAHLLOKOSA-N -1 1 378.440 1.293 20 0 GDADMM Cc1cc(C)cc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)[C@@H]2C)c1 ZINC001571135541 952606012 /nfs/dbraw/zinc/60/60/12/952606012.db2.gz WHBRYZVHTXDQLM-DZGCQCFKSA-N -1 1 378.440 1.989 20 0 GDADMM Cc1cc(C)cc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)[C@@H]2C)c1 ZINC001571135541 952606017 /nfs/dbraw/zinc/60/60/17/952606017.db2.gz WHBRYZVHTXDQLM-DZGCQCFKSA-N -1 1 378.440 1.989 20 0 GDADMM C[C@@H](C(=O)NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)c1ccccc1 ZINC001571135628 952606894 /nfs/dbraw/zinc/60/68/94/952606894.db2.gz ZGTDLYDDYHMCGK-CYBMUJFWSA-N -1 1 378.440 1.545 20 0 GDADMM C[C@@H](C(=O)NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)c1ccccc1 ZINC001571135628 952606897 /nfs/dbraw/zinc/60/68/97/952606897.db2.gz ZGTDLYDDYHMCGK-CYBMUJFWSA-N -1 1 378.440 1.545 20 0 GDADMM CCOCc1nc([C@H](C)NC(=O)NCc2ccc(-c3nn[n-]n3)s2)no1 ZINC001571137007 952618342 /nfs/dbraw/zinc/61/83/42/952618342.db2.gz ZLHICMKTDCAUQU-QMMMGPOBSA-N -1 1 378.418 1.408 20 0 GDADMM C[C@H]1Oc2ccccc2N(CCC(=O)Nc2cccc(-c3nnn[n-]3)n2)C1=O ZINC001571140827 952629838 /nfs/dbraw/zinc/62/98/38/952629838.db2.gz UMAVEZFDEMRMDR-LLVKDONJSA-N -1 1 379.380 1.404 20 0 GDADMM C[C@H]1Oc2ccccc2N(CCC(=O)Nc2cccc(-c3nn[n-]n3)n2)C1=O ZINC001571140827 952629843 /nfs/dbraw/zinc/62/98/43/952629843.db2.gz UMAVEZFDEMRMDR-LLVKDONJSA-N -1 1 379.380 1.404 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C1C=CC=CC=C1 ZINC001571141025 952630605 /nfs/dbraw/zinc/63/06/05/952630605.db2.gz FRKKXMTZTRHLTC-ZFWWWQNUSA-N -1 1 378.440 1.652 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C1C=CC=CC=C1 ZINC001571141025 952630607 /nfs/dbraw/zinc/63/06/07/952630607.db2.gz FRKKXMTZTRHLTC-ZFWWWQNUSA-N -1 1 378.440 1.652 20 0 GDADMM O=C(NC1(C2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CC1)c1cc[nH]c1 ZINC001571146309 952649421 /nfs/dbraw/zinc/64/94/21/952649421.db2.gz FXVZGWJJPGAMJP-UHFFFAOYSA-N -1 1 379.428 1.164 20 0 GDADMM O=C(NC1(C2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CC1)c1cc[nH]c1 ZINC001571146309 952649425 /nfs/dbraw/zinc/64/94/25/952649425.db2.gz FXVZGWJJPGAMJP-UHFFFAOYSA-N -1 1 379.428 1.164 20 0 GDADMM CCc1cccnc1C(=O)NC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571147532 952662895 /nfs/dbraw/zinc/66/28/95/952662895.db2.gz NEKLCQHGESXGLZ-CYBMUJFWSA-N -1 1 379.428 1.013 20 0 GDADMM CCc1cccnc1C(=O)NC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571147532 952662896 /nfs/dbraw/zinc/66/28/96/952662896.db2.gz NEKLCQHGESXGLZ-CYBMUJFWSA-N -1 1 379.428 1.013 20 0 GDADMM CC[C@@H]1CN(C(=O)c2ccccn2)CC[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571147762 952663378 /nfs/dbraw/zinc/66/33/78/952663378.db2.gz PPAHRHMCMAWOEF-OLZOCXBDSA-N -1 1 379.428 1.405 20 0 GDADMM CC[C@@H]1CN(C(=O)c2ccccn2)CC[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571147762 952663381 /nfs/dbraw/zinc/66/33/81/952663381.db2.gz PPAHRHMCMAWOEF-OLZOCXBDSA-N -1 1 379.428 1.405 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2sc(N3CCCC3)nc2Cl)n1 ZINC001571152061 952681494 /nfs/dbraw/zinc/68/14/94/952681494.db2.gz CEAHVJFWNRCSSJ-UHFFFAOYSA-N -1 1 379.837 1.563 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2sc(N3CCCC3)nc2Cl)n1 ZINC001571152061 952681497 /nfs/dbraw/zinc/68/14/97/952681497.db2.gz CEAHVJFWNRCSSJ-UHFFFAOYSA-N -1 1 379.837 1.563 20 0 GDADMM C[C@@H]1C[C@H]1C(=O)N1C[C@@H]2CN(c3nc(Cl)c(-c4nnn[n-]4)s3)C[C@@H]2C1 ZINC001571152910 952683972 /nfs/dbraw/zinc/68/39/72/952683972.db2.gz KWQPMIDNWZKSJG-DOLQZWNJSA-N -1 1 379.877 1.527 20 0 GDADMM C[C@@H]1C[C@H]1C(=O)N1C[C@@H]2CN(c3nc(Cl)c(-c4nn[n-]n4)s3)C[C@@H]2C1 ZINC001571152910 952683976 /nfs/dbraw/zinc/68/39/76/952683976.db2.gz KWQPMIDNWZKSJG-DOLQZWNJSA-N -1 1 379.877 1.527 20 0 GDADMM C[C@H]1C[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CCS1 ZINC001571153388 952685927 /nfs/dbraw/zinc/68/59/27/952685927.db2.gz QJVIJDUWPSOITA-UWVGGRQHSA-N -1 1 379.494 1.030 20 0 GDADMM C[C@H]1C[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CCS1 ZINC001571153388 952685930 /nfs/dbraw/zinc/68/59/30/952685930.db2.gz QJVIJDUWPSOITA-UWVGGRQHSA-N -1 1 379.494 1.030 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC(C)(F)F)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571155033 952691676 /nfs/dbraw/zinc/69/16/76/952691676.db2.gz FJWRCWRDYJKSJX-MNOVXSKESA-N -1 1 380.403 1.163 20 0 GDADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N(C)C[C@]1(O)CCc2ccccc21 ZINC001571155325 952695463 /nfs/dbraw/zinc/69/54/63/952695463.db2.gz NVBIVYSZHBBUQO-LJQANCHMSA-N -1 1 380.408 1.182 20 0 GDADMM CCOc1ccccc1C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571155428 952696885 /nfs/dbraw/zinc/69/68/85/952696885.db2.gz RNKPGUHTBIXJCQ-LBPRGKRZSA-N -1 1 380.412 1.382 20 0 GDADMM CCOc1ccccc1C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571155428 952696889 /nfs/dbraw/zinc/69/68/89/952696889.db2.gz RNKPGUHTBIXJCQ-LBPRGKRZSA-N -1 1 380.412 1.382 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)C(C)(F)F ZINC001571155419 952697199 /nfs/dbraw/zinc/69/71/99/952697199.db2.gz REKGYMOODROYFL-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)C(C)(F)F ZINC001571155419 952697203 /nfs/dbraw/zinc/69/72/03/952697203.db2.gz REKGYMOODROYFL-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)c1ccc(F)cc1 ZINC001571155719 952698972 /nfs/dbraw/zinc/69/89/72/952698972.db2.gz YLBBDVYVEGSRQW-IPYPFGDCSA-N -1 1 380.387 1.336 20 0 GDADMM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC001571155719 952698974 /nfs/dbraw/zinc/69/89/74/952698974.db2.gz YLBBDVYVEGSRQW-IPYPFGDCSA-N -1 1 380.387 1.336 20 0 GDADMM Cc1cc(C(=O)N2CCCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)ccn1 ZINC001571155988 952699688 /nfs/dbraw/zinc/69/96/88/952699688.db2.gz AAEOCVFIUQCLJH-CQSZACIVSA-N -1 1 379.428 1.467 20 0 GDADMM Cc1cc(C(=O)N2CCCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)ccn1 ZINC001571155988 952699692 /nfs/dbraw/zinc/69/96/92/952699692.db2.gz AAEOCVFIUQCLJH-CQSZACIVSA-N -1 1 379.428 1.467 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571155730 952699946 /nfs/dbraw/zinc/69/99/46/952699946.db2.gz YNNPKQDNEYRVOE-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571155730 952699950 /nfs/dbraw/zinc/69/99/50/952699950.db2.gz YNNPKQDNEYRVOE-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM Cc1cc(C)nc(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571156012 952700722 /nfs/dbraw/zinc/70/07/22/952700722.db2.gz ATYGEESMGNFSSM-JOCQHMNTSA-N -1 1 379.428 1.289 20 0 GDADMM Cc1cc(C)nc(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571156012 952700726 /nfs/dbraw/zinc/70/07/26/952700726.db2.gz ATYGEESMGNFSSM-JOCQHMNTSA-N -1 1 379.428 1.289 20 0 GDADMM Cc1cncc(C(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C(C)(C)C2)c1 ZINC001571156673 952703662 /nfs/dbraw/zinc/70/36/62/952703662.db2.gz GSYXKLCNLBOLPZ-AWEZNQCLSA-N -1 1 379.428 1.323 20 0 GDADMM Cc1cncc(C(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C(C)(C)C2)c1 ZINC001571156673 952703667 /nfs/dbraw/zinc/70/36/67/952703667.db2.gz GSYXKLCNLBOLPZ-AWEZNQCLSA-N -1 1 379.428 1.323 20 0 GDADMM Cc1cc(C)nc(C(=O)N2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C[C@H]2C)c1 ZINC001571156728 952704965 /nfs/dbraw/zinc/70/49/65/952704965.db2.gz ICOKIYMQHAWCPX-OLZOCXBDSA-N -1 1 379.428 1.384 20 0 GDADMM Cc1cc(C)nc(C(=O)N2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C[C@H]2C)c1 ZINC001571156728 952704969 /nfs/dbraw/zinc/70/49/69/952704969.db2.gz ICOKIYMQHAWCPX-OLZOCXBDSA-N -1 1 379.428 1.384 20 0 GDADMM Cc1cnc(C(=O)N2CC[C@H](N(C)c3cnc(-c4nnn[n-]4)cn3)C2)c(C)c1 ZINC001571156834 952705766 /nfs/dbraw/zinc/70/57/66/952705766.db2.gz KXNUFWSJJRDCIW-ZDUSSCGKSA-N -1 1 379.428 1.019 20 0 GDADMM Cc1cnc(C(=O)N2CC[C@H](N(C)c3cnc(-c4nn[n-]n4)cn3)C2)c(C)c1 ZINC001571156834 952705772 /nfs/dbraw/zinc/70/57/72/952705772.db2.gz KXNUFWSJJRDCIW-ZDUSSCGKSA-N -1 1 379.428 1.019 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H]([C@@H](C)Nc3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001571158065 952709215 /nfs/dbraw/zinc/70/92/15/952709215.db2.gz QMEVHUKXIPVXQT-OCCSQVGLSA-N -1 1 379.428 1.323 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H]([C@@H](C)Nc3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571158065 952709218 /nfs/dbraw/zinc/70/92/18/952709218.db2.gz QMEVHUKXIPVXQT-OCCSQVGLSA-N -1 1 379.428 1.323 20 0 GDADMM COc1ccc(C(=O)N2CCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001571158224 952709745 /nfs/dbraw/zinc/70/97/45/952709745.db2.gz FAWIHSAHIICLCU-ZDUSSCGKSA-N -1 1 380.412 1.382 20 0 GDADMM COc1ccc(C(=O)N2CCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001571158224 952709747 /nfs/dbraw/zinc/70/97/47/952709747.db2.gz FAWIHSAHIICLCU-ZDUSSCGKSA-N -1 1 380.412 1.382 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)cc(C)n1 ZINC001571158134 952710007 /nfs/dbraw/zinc/71/00/07/952710007.db2.gz RXLOTDNLMDSDLO-AWEZNQCLSA-N -1 1 379.428 1.067 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)cc(C)n1 ZINC001571158134 952710010 /nfs/dbraw/zinc/71/00/10/952710010.db2.gz RXLOTDNLMDSDLO-AWEZNQCLSA-N -1 1 379.428 1.067 20 0 GDADMM O=C(NC1(C2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)CC1)c1ccoc1 ZINC001571161440 952732608 /nfs/dbraw/zinc/73/26/08/952732608.db2.gz VRACHLPDTLVDRM-UHFFFAOYSA-N -1 1 380.412 1.429 20 0 GDADMM CC1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571166269 952759881 /nfs/dbraw/zinc/75/98/81/952759881.db2.gz LDLSXUITXYQGJY-JLNYLFASSA-N -1 1 380.456 1.130 20 0 GDADMM CC1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571166269 952759884 /nfs/dbraw/zinc/75/98/84/952759884.db2.gz LDLSXUITXYQGJY-JLNYLFASSA-N -1 1 380.456 1.130 20 0 GDADMM O=C([C@@H]1CC[C@@H]2C[C@@H]2CC1)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1 ZINC001571171559 952793582 /nfs/dbraw/zinc/79/35/82/952793582.db2.gz BZTOOVOGXVAWHH-RMEBNNNOSA-N -1 1 380.456 1.273 20 0 GDADMM O=C([C@@H]1CC[C@@H]2C[C@@H]2CC1)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1 ZINC001571171559 952793586 /nfs/dbraw/zinc/79/35/86/952793586.db2.gz BZTOOVOGXVAWHH-RMEBNNNOSA-N -1 1 380.456 1.273 20 0 GDADMM O=C(N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1)C12CCC(CC1)C2 ZINC001571171693 952796035 /nfs/dbraw/zinc/79/60/35/952796035.db2.gz DCJLNOIYJIBXKC-LHYKLLTFSA-N -1 1 380.456 1.417 20 0 GDADMM O=C(N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1)C12CCC(CC1)C2 ZINC001571171693 952796042 /nfs/dbraw/zinc/79/60/42/952796042.db2.gz DCJLNOIYJIBXKC-LHYKLLTFSA-N -1 1 380.456 1.417 20 0 GDADMM O=C(c1ccon1)N1CCC(Nc2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001571172095 952801639 /nfs/dbraw/zinc/80/16/39/952801639.db2.gz MCDYHVRSQLSQSN-UHFFFAOYSA-N -1 1 380.821 1.681 20 0 GDADMM O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CC[C@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571172291 952804858 /nfs/dbraw/zinc/80/48/58/952804858.db2.gz SEFZTNWAXPPBIL-CFNLKKDLSA-N -1 1 380.456 1.132 20 0 GDADMM O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CC[C@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571172291 952804859 /nfs/dbraw/zinc/80/48/59/952804859.db2.gz SEFZTNWAXPPBIL-CFNLKKDLSA-N -1 1 380.456 1.132 20 0 GDADMM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCCC12CC2 ZINC001571172581 952808131 /nfs/dbraw/zinc/80/81/31/952808131.db2.gz XTDZYOKNKMBYDM-CXTNEJHOSA-N -1 1 380.456 1.463 20 0 GDADMM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCCC12CC2 ZINC001571172581 952808136 /nfs/dbraw/zinc/80/81/36/952808136.db2.gz XTDZYOKNKMBYDM-CXTNEJHOSA-N -1 1 380.456 1.463 20 0 GDADMM CC(C)n1cccc1C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571183687 952881770 /nfs/dbraw/zinc/88/17/70/952881770.db2.gz HNEXJHLAUOVVHT-CYBMUJFWSA-N -1 1 381.444 1.178 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)[C@H]2CCCN(C(=O)c3cc[nH]c3)C2)n1 ZINC001571185125 952900239 /nfs/dbraw/zinc/90/02/39/952900239.db2.gz IUJINWPGDZLDPM-JSGCOSHPSA-N -1 1 381.444 1.646 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)[C@H]2CCCN(C(=O)c3cc[nH]c3)C2)n1 ZINC001571185125 952900241 /nfs/dbraw/zinc/90/02/41/952900241.db2.gz IUJINWPGDZLDPM-JSGCOSHPSA-N -1 1 381.444 1.646 20 0 GDADMM Cc1[nH]ccc1C(=O)N1C[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001571185526 952902428 /nfs/dbraw/zinc/90/24/28/952902428.db2.gz MRXFNZLLHLTRFE-ZWNOBZJWSA-N -1 1 381.444 1.422 20 0 GDADMM Cc1[nH]ccc1C(=O)N1C[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001571185526 952902432 /nfs/dbraw/zinc/90/24/32/952902432.db2.gz MRXFNZLLHLTRFE-ZWNOBZJWSA-N -1 1 381.444 1.422 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CCC[C@H]([C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571186060 952904388 /nfs/dbraw/zinc/90/43/88/952904388.db2.gz RAKZVGQUUSCSBM-OLZOCXBDSA-N -1 1 381.444 1.646 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CCC[C@H]([C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571186060 952904392 /nfs/dbraw/zinc/90/43/92/952904392.db2.gz RAKZVGQUUSCSBM-OLZOCXBDSA-N -1 1 381.444 1.646 20 0 GDADMM CCn1cccc1C(=O)N1CC[C@@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001571186139 952905294 /nfs/dbraw/zinc/90/52/94/952905294.db2.gz UBPCQDCYJVHUMH-CYBMUJFWSA-N -1 1 381.444 1.442 20 0 GDADMM CCn1cccc1C(=O)N1CC[C@@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001571186139 952905305 /nfs/dbraw/zinc/90/53/05/952905305.db2.gz UBPCQDCYJVHUMH-CYBMUJFWSA-N -1 1 381.444 1.442 20 0 GDADMM Cc1cc(C(=O)NCC2CC(Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)c(C)[nH]1 ZINC001571186626 952908159 /nfs/dbraw/zinc/90/81/59/952908159.db2.gz YUKTZRUYQIGNPP-UHFFFAOYSA-N -1 1 381.444 1.531 20 0 GDADMM Cc1cc(C(=O)NCC2CC(Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)c(C)[nH]1 ZINC001571186626 952908163 /nfs/dbraw/zinc/90/81/63/952908163.db2.gz YUKTZRUYQIGNPP-UHFFFAOYSA-N -1 1 381.444 1.531 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@@H]2CCCC[C@H]2Nc2cnc(-c3nnn[n-]3)cn2)[nH]1 ZINC001571189581 952931638 /nfs/dbraw/zinc/93/16/38/952931638.db2.gz XTHRYJDSQLKVSQ-CHWSQXEVSA-N -1 1 381.444 1.755 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@@H]2CCCC[C@H]2Nc2cnc(-c3nn[n-]n3)cn2)[nH]1 ZINC001571189581 952931647 /nfs/dbraw/zinc/93/16/47/952931647.db2.gz XTHRYJDSQLKVSQ-CHWSQXEVSA-N -1 1 381.444 1.755 20 0 GDADMM O=C(C1CC1)N1CC[C@@H](C(F)(F)F)[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571194394 952961512 /nfs/dbraw/zinc/96/15/12/952961512.db2.gz LKJMCVZPTJYKSX-KOLCDFICSA-N -1 1 382.350 1.258 20 0 GDADMM O=C(C1CC1)N1CC[C@@H](C(F)(F)F)[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571194394 952961516 /nfs/dbraw/zinc/96/15/16/952961516.db2.gz LKJMCVZPTJYKSX-KOLCDFICSA-N -1 1 382.350 1.258 20 0 GDADMM CC1(C)[C@H](C(F)(F)F)CC[N@H+]1Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001571194685 952966748 /nfs/dbraw/zinc/96/67/48/952966748.db2.gz QRLRLONPDYLFCE-SNVBAGLBSA-N -1 1 382.350 1.778 20 0 GDADMM Cc1cc(F)cc(C(=O)N2CC[C@@H](N(C)c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571195530 952976913 /nfs/dbraw/zinc/97/69/13/952976913.db2.gz AYYBHPHBINLDKR-CQSZACIVSA-N -1 1 382.403 1.455 20 0 GDADMM Cc1cc(F)cc(C(=O)N2CC[C@@H](N(C)c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571195530 952976919 /nfs/dbraw/zinc/97/69/19/952976919.db2.gz AYYBHPHBINLDKR-CQSZACIVSA-N -1 1 382.403 1.455 20 0 GDADMM CN(C(=O)Cc1cccc(F)c1)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571195691 952977215 /nfs/dbraw/zinc/97/72/15/952977215.db2.gz DOOMILILFNVADP-AWEZNQCLSA-N -1 1 382.403 1.076 20 0 GDADMM CN(C(=O)Cc1cccc(F)c1)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571195691 952977219 /nfs/dbraw/zinc/97/72/19/952977219.db2.gz DOOMILILFNVADP-AWEZNQCLSA-N -1 1 382.403 1.076 20 0 GDADMM Cc1cc(F)cc(C(=O)NC[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571195845 952978961 /nfs/dbraw/zinc/97/89/61/952978961.db2.gz GJRKNQRUHBLEKH-GFCCVEGCSA-N -1 1 382.403 1.361 20 0 GDADMM Cc1cc(F)cc(C(=O)NC[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571195845 952978969 /nfs/dbraw/zinc/97/89/69/952978969.db2.gz GJRKNQRUHBLEKH-GFCCVEGCSA-N -1 1 382.403 1.361 20 0 GDADMM Cc1ccc(C(=O)N2CCCN(c3cnc(-c4nnn[n-]4)cn3)CC2)cc1F ZINC001571195765 952979173 /nfs/dbraw/zinc/97/91/73/952979173.db2.gz FUMQSTGCMIUKFX-UHFFFAOYSA-N -1 1 382.403 1.457 20 0 GDADMM Cc1ccc(C(=O)N2CCCN(c3cnc(-c4nn[n-]n4)cn3)CC2)cc1F ZINC001571195765 952979180 /nfs/dbraw/zinc/97/91/80/952979180.db2.gz FUMQSTGCMIUKFX-UHFFFAOYSA-N -1 1 382.403 1.457 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@@H]2C)c(F)c1 ZINC001571196676 952982826 /nfs/dbraw/zinc/98/28/26/952982826.db2.gz MBQBVLXSRGKMPR-SMDDNHRTSA-N -1 1 382.403 1.819 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@@H]2C)c(F)c1 ZINC001571196676 952982832 /nfs/dbraw/zinc/98/28/32/952982832.db2.gz MBQBVLXSRGKMPR-SMDDNHRTSA-N -1 1 382.403 1.819 20 0 GDADMM Cc1c(F)cccc1C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571197202 952987209 /nfs/dbraw/zinc/98/72/09/952987209.db2.gz UBOJRHBNXPBDOR-GFCCVEGCSA-N -1 1 382.403 1.503 20 0 GDADMM Cc1c(F)cccc1C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571197202 952987215 /nfs/dbraw/zinc/98/72/15/952987215.db2.gz UBOJRHBNXPBDOR-GFCCVEGCSA-N -1 1 382.403 1.503 20 0 GDADMM C[C@@H]1C[C@H](NC(=O)c2ccc(F)cc2)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571197373 952990162 /nfs/dbraw/zinc/99/01/62/952990162.db2.gz YGTRUJSHNILSRQ-BXUZGUMPSA-N -1 1 382.403 1.583 20 0 GDADMM CCc1occc1C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001571198759 952993756 /nfs/dbraw/zinc/99/37/56/952993756.db2.gz FUONBSYGWCMYFE-NEPJUHHUSA-N -1 1 382.428 1.917 20 0 GDADMM CCc1occc1C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001571198759 952993759 /nfs/dbraw/zinc/99/37/59/952993759.db2.gz FUONBSYGWCMYFE-NEPJUHHUSA-N -1 1 382.428 1.917 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1cnn2c1CCCC2 ZINC001571199453 952999655 /nfs/dbraw/zinc/99/96/55/952999655.db2.gz RPDZPKWEVCYMOR-UHFFFAOYSA-N -1 1 382.428 1.688 20 0 GDADMM C[C@@H]1CN(C(=O)CCc2ccco2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571199672 953002995 /nfs/dbraw/zinc/00/29/95/953002995.db2.gz YNMBIIQLHKBPKU-CHWSQXEVSA-N -1 1 382.428 1.389 20 0 GDADMM C[C@@H]1CN(C(=O)CCc2ccco2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571199672 953003004 /nfs/dbraw/zinc/00/30/04/953003004.db2.gz YNMBIIQLHKBPKU-CHWSQXEVSA-N -1 1 382.428 1.389 20 0 GDADMM CCc1nc(NC[C@H]2CCCN2C(=O)c2coc(C)c2)cc(-c2nnn[n-]2)n1 ZINC001571199707 953004559 /nfs/dbraw/zinc/00/45/59/953004559.db2.gz ZTZIUIBLVLUYJB-CYBMUJFWSA-N -1 1 382.428 1.837 20 0 GDADMM CCc1nc(NC[C@H]2CCCN2C(=O)c2coc(C)c2)cc(-c2nn[n-]n2)n1 ZINC001571199707 953004566 /nfs/dbraw/zinc/00/45/66/953004566.db2.gz ZTZIUIBLVLUYJB-CYBMUJFWSA-N -1 1 382.428 1.837 20 0 GDADMM CC(C)c1occc1C(=O)N1C[C@@H](C)[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571199930 953004901 /nfs/dbraw/zinc/00/49/01/953004901.db2.gz CWYOKZBFMHVLQY-RISCZKNCSA-N -1 1 382.428 1.946 20 0 GDADMM CC(C)c1occc1C(=O)N1C[C@@H](C)[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571199930 953004905 /nfs/dbraw/zinc/00/49/05/953004905.db2.gz CWYOKZBFMHVLQY-RISCZKNCSA-N -1 1 382.428 1.946 20 0 GDADMM O=C(N[C@@H]1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC001571199792 953005068 /nfs/dbraw/zinc/00/50/68/953005068.db2.gz CGANHVQVJLKNPU-GXTWGEPZSA-N -1 1 382.403 1.228 20 0 GDADMM C[C@H](C(=O)N1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C(C)(C)C1)c1ccco1 ZINC001571199797 953005218 /nfs/dbraw/zinc/00/52/18/953005218.db2.gz CHUVULXJWMVHMV-FZMZJTMJSA-N -1 1 382.428 1.702 20 0 GDADMM C[C@H](C(=O)N1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C(C)(C)C1)c1ccco1 ZINC001571199797 953005224 /nfs/dbraw/zinc/00/52/24/953005224.db2.gz CHUVULXJWMVHMV-FZMZJTMJSA-N -1 1 382.428 1.702 20 0 GDADMM Cc1coc(C)c1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1 ZINC001571200090 953006283 /nfs/dbraw/zinc/00/62/83/953006283.db2.gz APYZHWGGSKMULW-YPMHNXCESA-N -1 1 382.428 1.654 20 0 GDADMM Cc1coc(C)c1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1 ZINC001571200090 953006288 /nfs/dbraw/zinc/00/62/88/953006288.db2.gz APYZHWGGSKMULW-YPMHNXCESA-N -1 1 382.428 1.654 20 0 GDADMM Cc1ccoc1CC(=O)N1CCC(N(C)c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571200213 953008084 /nfs/dbraw/zinc/00/80/84/953008084.db2.gz CEGKINPRGZICHB-UHFFFAOYSA-N -1 1 382.428 1.228 20 0 GDADMM Cc1ccoc1CC(=O)N1CCC(N(C)c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571200213 953008086 /nfs/dbraw/zinc/00/80/86/953008086.db2.gz CEGKINPRGZICHB-UHFFFAOYSA-N -1 1 382.428 1.228 20 0 GDADMM O=C(N[C@H]1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1F ZINC001571200502 953010128 /nfs/dbraw/zinc/01/01/28/953010128.db2.gz JFQKDIWWAJQPHE-NEPJUHHUSA-N -1 1 382.403 1.228 20 0 GDADMM Cc1cc(C)c(C(=O)N2CCC[C@@H]2CN(C)c2ccc(-c3nnn[n-]3)nn2)o1 ZINC001571200757 953012034 /nfs/dbraw/zinc/01/20/34/953012034.db2.gz FTCDSTNXVKZCLS-CYBMUJFWSA-N -1 1 382.428 1.608 20 0 GDADMM Cc1cc(C)c(C(=O)N2CCC[C@@H]2CN(C)c2ccc(-c3nn[n-]n3)nn2)o1 ZINC001571200757 953012040 /nfs/dbraw/zinc/01/20/40/953012040.db2.gz FTCDSTNXVKZCLS-CYBMUJFWSA-N -1 1 382.428 1.608 20 0 GDADMM Cc1ccoc1CC(=O)N1C[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C[C@@H]1C ZINC001571200847 953012916 /nfs/dbraw/zinc/01/29/16/953012916.db2.gz GRWBRAMYKOUMGE-STQMWFEESA-N -1 1 382.428 1.511 20 0 GDADMM Cc1ccoc1CC(=O)N1C[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C[C@@H]1C ZINC001571200847 953012920 /nfs/dbraw/zinc/01/29/20/953012920.db2.gz GRWBRAMYKOUMGE-STQMWFEESA-N -1 1 382.428 1.511 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@H]2CCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)o1 ZINC001571201394 953017357 /nfs/dbraw/zinc/01/73/57/953017357.db2.gz LUOHQWWQRDCERP-STQMWFEESA-N -1 1 382.428 1.877 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@H]2CCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)o1 ZINC001571201394 953017360 /nfs/dbraw/zinc/01/73/60/953017360.db2.gz LUOHQWWQRDCERP-STQMWFEESA-N -1 1 382.428 1.877 20 0 GDADMM CC1(C)C[C@H](NC(=O)c2ccco2)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571201496 953018576 /nfs/dbraw/zinc/01/85/76/953018576.db2.gz QRAHQQYZUYCVMN-GFCCVEGCSA-N -1 1 382.428 1.675 20 0 GDADMM CC1(C)C[C@H](NC(=O)c2ccco2)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571201496 953018583 /nfs/dbraw/zinc/01/85/83/953018583.db2.gz QRAHQQYZUYCVMN-GFCCVEGCSA-N -1 1 382.428 1.675 20 0 GDADMM Cc1cc(C(=O)NC[C@@H]2C[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)oc1C ZINC001571202212 953023165 /nfs/dbraw/zinc/02/31/65/953023165.db2.gz RSFVEUOYZRPKGW-BETUJISGSA-N -1 1 382.428 1.795 20 0 GDADMM Cc1cc(C(=O)NC[C@@H]2C[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)oc1C ZINC001571202212 953023167 /nfs/dbraw/zinc/02/31/67/953023167.db2.gz RSFVEUOYZRPKGW-BETUJISGSA-N -1 1 382.428 1.795 20 0 GDADMM Cc1coc(C(=O)N2CCC[C@@H](C)[C@H]2CNc2nccnc2-c2nnn[n-]2)c1 ZINC001571202752 953028647 /nfs/dbraw/zinc/02/86/47/953028647.db2.gz YDUOWGKYHNOXAH-CHWSQXEVSA-N -1 1 382.428 1.911 20 0 GDADMM Cc1coc(C(=O)N2CCC[C@@H](C)[C@H]2CNc2nccnc2-c2nn[n-]n2)c1 ZINC001571202752 953028651 /nfs/dbraw/zinc/02/86/51/953028651.db2.gz YDUOWGKYHNOXAH-CHWSQXEVSA-N -1 1 382.428 1.911 20 0 GDADMM CCCc1n[nH]cc1C(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571204885 953034118 /nfs/dbraw/zinc/03/41/18/953034118.db2.gz DTNXJUJQIKTWRQ-NSHDSACASA-N -1 1 382.432 1.049 20 0 GDADMM CCCc1n[nH]cc1C(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571204885 953034122 /nfs/dbraw/zinc/03/41/22/953034122.db2.gz DTNXJUJQIKTWRQ-NSHDSACASA-N -1 1 382.432 1.049 20 0 GDADMM Cc1oc(C)c(C(=O)N2CCCN(c3ccc(-c4nnn[n-]4)nn3)CC2)c1C ZINC001571206323 953050429 /nfs/dbraw/zinc/05/04/29/953050429.db2.gz OMVNXNIHTLWRED-UHFFFAOYSA-N -1 1 382.428 1.527 20 0 GDADMM Cc1oc(C)c(C(=O)N2CCCN(c3ccc(-c4nn[n-]n4)nn3)CC2)c1C ZINC001571206323 953050432 /nfs/dbraw/zinc/05/04/32/953050432.db2.gz OMVNXNIHTLWRED-UHFFFAOYSA-N -1 1 382.428 1.527 20 0 GDADMM C[C@H](NC(=O)C1CC2(CC2)C1)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571211525 953077254 /nfs/dbraw/zinc/07/72/54/953077254.db2.gz AMGYPOPIIPKAOH-QWHCGFSZSA-N -1 1 382.472 1.568 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H]2[C@@H](CCN2c2cncc(-c3nnn[n-]3)n2)C1)C1CC1 ZINC001571211729 953080373 /nfs/dbraw/zinc/08/03/73/953080373.db2.gz DPMHRFGZTHZSSX-SWLSCSKDSA-N -1 1 382.472 1.520 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H]2[C@@H](CCN2c2cncc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001571211729 953080376 /nfs/dbraw/zinc/08/03/76/953080376.db2.gz DPMHRFGZTHZSSX-SWLSCSKDSA-N -1 1 382.472 1.520 20 0 GDADMM C[C@H]1CC[C@@H](NC(=O)C(C2CC2)C2CC2)CN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571211736 953080726 /nfs/dbraw/zinc/08/07/26/953080726.db2.gz DPZUOJQLTISOGR-SMDDNHRTSA-N -1 1 382.472 1.566 20 0 GDADMM CC(C)(C)C12CC(C(=O)N[C@@H]3CCN(c4ccc(-c5nnn[n-]5)nn4)C3)(C1)C2 ZINC001571212023 953082946 /nfs/dbraw/zinc/08/29/46/953082946.db2.gz HJPOEJQXFZREBE-PIHIASKNSA-N -1 1 382.472 1.568 20 0 GDADMM CC(C)(C)C12CC(C(=O)N[C@@H]3CCN(c4ccc(-c5nn[n-]n5)nn4)C3)(C1)C2 ZINC001571212023 953082948 /nfs/dbraw/zinc/08/29/48/953082948.db2.gz HJPOEJQXFZREBE-PIHIASKNSA-N -1 1 382.472 1.568 20 0 GDADMM CCC[C@@H]1C[C@H]1C(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@@]2(C)C1 ZINC001571212492 953088825 /nfs/dbraw/zinc/08/88/25/953088825.db2.gz MKDPFJVKHJWKQJ-FORMXFIPSA-N -1 1 382.472 1.378 20 0 GDADMM CCC[C@@H]1C[C@H]1C(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@]2(C)C1 ZINC001571212492 953088829 /nfs/dbraw/zinc/08/88/29/953088829.db2.gz MKDPFJVKHJWKQJ-FORMXFIPSA-N -1 1 382.472 1.378 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H]3[C@@H](CCCN3C(=O)C3CC3)C2)n1 ZINC001571212520 953089377 /nfs/dbraw/zinc/08/93/77/953089377.db2.gz MWIPCLHNBLFJPE-DZGCQCFKSA-N -1 1 382.472 1.446 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H]3[C@@H](CCCN3C(=O)C3CC3)C2)n1 ZINC001571212520 953089383 /nfs/dbraw/zinc/08/93/83/953089383.db2.gz MWIPCLHNBLFJPE-DZGCQCFKSA-N -1 1 382.472 1.446 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CCC2)C1)c1cncc(-c2nnn[n-]2)n1 ZINC001571213642 953096346 /nfs/dbraw/zinc/09/63/46/953096346.db2.gz SPBOSFNMRZDFDZ-AEGPPILISA-N -1 1 382.472 1.378 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CCC2)C1)c1cncc(-c2nn[n-]n2)n1 ZINC001571213642 953096354 /nfs/dbraw/zinc/09/63/54/953096354.db2.gz SPBOSFNMRZDFDZ-AEGPPILISA-N -1 1 382.472 1.378 20 0 GDADMM CC1(C(=O)N2CCCC[C@]3(CCN(c4ccc(-c5nnn[n-]5)nn4)C3)C2)CC1 ZINC001571213653 953096700 /nfs/dbraw/zinc/09/67/00/953096700.db2.gz SRSJWZQZVGPJDF-LJQANCHMSA-N -1 1 382.472 1.666 20 0 GDADMM CC1(C(=O)N2CCCC[C@]3(CCN(c4ccc(-c5nn[n-]n5)nn4)C3)C2)CC1 ZINC001571213653 953096705 /nfs/dbraw/zinc/09/67/05/953096705.db2.gz SRSJWZQZVGPJDF-LJQANCHMSA-N -1 1 382.472 1.666 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@]23CCC[C@H]2CN(C(=O)C2(C)CC2)C3)n1 ZINC001571214039 953098804 /nfs/dbraw/zinc/09/88/04/953098804.db2.gz VOVJYIZASUHQOE-DJJJIMSYSA-N -1 1 382.472 1.806 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@]23CCC[C@H]2CN(C(=O)C2(C)CC2)C3)n1 ZINC001571214039 953098807 /nfs/dbraw/zinc/09/88/07/953098807.db2.gz VOVJYIZASUHQOE-DJJJIMSYSA-N -1 1 382.472 1.806 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@]3(NC(=O)[C@@H](C)C4CC4)CCC[C@H]23)n1 ZINC001571214098 953099565 /nfs/dbraw/zinc/09/95/65/953099565.db2.gz WXFCVTGVQSFTLG-VRHCTWJESA-N -1 1 382.472 1.629 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@]3(NC(=O)[C@@H](C)C4CC4)CCC[C@H]23)n1 ZINC001571214098 953099566 /nfs/dbraw/zinc/09/95/66/953099566.db2.gz WXFCVTGVQSFTLG-VRHCTWJESA-N -1 1 382.472 1.629 20 0 GDADMM CC1(C)CN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1NC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001571214322 953101465 /nfs/dbraw/zinc/10/14/65/953101465.db2.gz XEYKZQIKYKKAHB-IHRRRGAJSA-N -1 1 382.472 1.424 20 0 GDADMM CC1(CC(=O)N2C[C@@H]3CCC[C@@H](Nc4nccnc4-c4nnn[n-]4)[C@H]3C2)CC1 ZINC001571214491 953102939 /nfs/dbraw/zinc/10/29/39/953102939.db2.gz ZWXKGOGGOVMEJB-MELADBBJSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(CC(=O)N2C[C@@H]3CCC[C@@H](Nc4nccnc4-c4nn[n-]n4)[C@H]3C2)CC1 ZINC001571214491 953102941 /nfs/dbraw/zinc/10/29/41/953102941.db2.gz ZWXKGOGGOVMEJB-MELADBBJSA-N -1 1 382.472 1.886 20 0 GDADMM O=C(C1[C@H]2CCCCCC[C@H]12)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571216755 953103598 /nfs/dbraw/zinc/10/35/98/953103598.db2.gz AGCJHTJLSHJSTL-KBPBESRZSA-N -1 1 382.472 1.522 20 0 GDADMM O=C(C1[C@H]2CCCCCC[C@H]12)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571216755 953103599 /nfs/dbraw/zinc/10/35/99/953103599.db2.gz AGCJHTJLSHJSTL-KBPBESRZSA-N -1 1 382.472 1.522 20 0 GDADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1)C1CCCCCC1 ZINC001571216900 953104788 /nfs/dbraw/zinc/10/47/88/953104788.db2.gz BTUKTZNVJYIPFR-FMKPAKJESA-N -1 1 382.472 1.853 20 0 GDADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1)C1CCCCCC1 ZINC001571216900 953104792 /nfs/dbraw/zinc/10/47/92/953104792.db2.gz BTUKTZNVJYIPFR-FMKPAKJESA-N -1 1 382.472 1.853 20 0 GDADMM O=C(N[C@H]1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CC1)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001571217261 953106003 /nfs/dbraw/zinc/10/60/03/953106003.db2.gz DFDVYWVPWLURQD-RYPNDVFKSA-N -1 1 382.472 1.932 20 0 GDADMM O=C(N[C@H]1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CC1)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001571217261 953106007 /nfs/dbraw/zinc/10/60/07/953106007.db2.gz DFDVYWVPWLURQD-RYPNDVFKSA-N -1 1 382.472 1.932 20 0 GDADMM O=C(NC[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)[C@@H]1C[C@H]1C1CCC1 ZINC001571218427 953114640 /nfs/dbraw/zinc/11/46/40/953114640.db2.gz NKLXKXPWBAYFIM-AEGPPILISA-N -1 1 382.472 1.426 20 0 GDADMM O=C(NC[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)[C@@H]1C[C@H]1C1CCC1 ZINC001571218427 953114646 /nfs/dbraw/zinc/11/46/46/953114646.db2.gz NKLXKXPWBAYFIM-AEGPPILISA-N -1 1 382.472 1.426 20 0 GDADMM O=C(NC[C@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)[C@@H]1CC12CCCC2 ZINC001571219064 953122780 /nfs/dbraw/zinc/12/27/80/953122780.db2.gz UHJQKDWVZTZHMP-MJBXVCDLSA-N -1 1 382.472 1.934 20 0 GDADMM O=C(NC[C@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)[C@@H]1CC12CCCC2 ZINC001571219064 953122785 /nfs/dbraw/zinc/12/27/85/953122785.db2.gz UHJQKDWVZTZHMP-MJBXVCDLSA-N -1 1 382.472 1.934 20 0 GDADMM O=C(NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)[C@H]1CCCC2(CC2)C1 ZINC001571219391 953126002 /nfs/dbraw/zinc/12/60/02/953126002.db2.gz YVIWHZZKRHODGX-KGLIPLIRSA-N -1 1 382.472 1.570 20 0 GDADMM O=C(NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)[C@H]1CCCC2(CC2)C1 ZINC001571219391 953126005 /nfs/dbraw/zinc/12/60/05/953126005.db2.gz YVIWHZZKRHODGX-KGLIPLIRSA-N -1 1 382.472 1.570 20 0 GDADMM CC(C)(C)c1nc(C(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)co1 ZINC001571222891 953140030 /nfs/dbraw/zinc/14/00/30/953140030.db2.gz MUYKAQXZMKNTHD-JTQLQIEISA-N -1 1 383.416 1.269 20 0 GDADMM CC(C)(C)c1nc(C(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)co1 ZINC001571222891 953140032 /nfs/dbraw/zinc/14/00/32/953140032.db2.gz MUYKAQXZMKNTHD-JTQLQIEISA-N -1 1 383.416 1.269 20 0 GDADMM CC[C@H]1CN(C(=O)c2ccon2)CC[C@H]1Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001571223153 953141255 /nfs/dbraw/zinc/14/12/55/953141255.db2.gz ONIBBJXYEKUQEM-NWDGAFQWSA-N -1 1 383.416 1.306 20 0 GDADMM CC[C@H]1CN(C(=O)c2ccon2)CC[C@H]1Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001571223153 953141257 /nfs/dbraw/zinc/14/12/57/953141257.db2.gz ONIBBJXYEKUQEM-NWDGAFQWSA-N -1 1 383.416 1.306 20 0 GDADMM Cc1ncoc1C(=O)N1CCC[C@H]1CN(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001571224958 953152215 /nfs/dbraw/zinc/15/22/15/953152215.db2.gz HFHAKYHEILCADM-LBPRGKRZSA-N -1 1 383.416 1.003 20 0 GDADMM Cc1ncoc1C(=O)N1CCC[C@H]1CN(C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001571224958 953152216 /nfs/dbraw/zinc/15/22/16/953152216.db2.gz HFHAKYHEILCADM-LBPRGKRZSA-N -1 1 383.416 1.003 20 0 GDADMM Cc1nc(C(C)C)oc1C(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571225612 953153330 /nfs/dbraw/zinc/15/33/30/953153330.db2.gz LOYDQVIATVPRBU-UHFFFAOYSA-N -1 1 383.416 1.039 20 0 GDADMM Cc1nc(C(C)C)oc1C(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571225612 953153332 /nfs/dbraw/zinc/15/33/32/953153332.db2.gz LOYDQVIATVPRBU-UHFFFAOYSA-N -1 1 383.416 1.039 20 0 GDADMM Cc1nc(C)c(C(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)[C@@H](C)C2)o1 ZINC001571225887 953154202 /nfs/dbraw/zinc/15/42/02/953154202.db2.gz NNGSXPNBCNLDKP-CABZTGNLSA-N -1 1 383.416 1.224 20 0 GDADMM Cc1nc(C)c(C(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)[C@@H](C)C2)o1 ZINC001571225887 953154205 /nfs/dbraw/zinc/15/42/05/953154205.db2.gz NNGSXPNBCNLDKP-CABZTGNLSA-N -1 1 383.416 1.224 20 0 GDADMM Cc1conc1C(=O)NC[C@@H]1CCCCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571226628 953156021 /nfs/dbraw/zinc/15/60/21/953156021.db2.gz UEWDIMMALRRZRU-LBPRGKRZSA-N -1 1 383.416 1.132 20 0 GDADMM Cc1conc1C(=O)NC[C@@H]1CCCCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571226628 953156022 /nfs/dbraw/zinc/15/60/22/953156022.db2.gz UEWDIMMALRRZRU-LBPRGKRZSA-N -1 1 383.416 1.132 20 0 GDADMM Cc1nc(C(=O)N2CCCC[C@@H]2CCNc2cnc(-c3nnn[n-]3)cn2)co1 ZINC001571226453 953156160 /nfs/dbraw/zinc/15/61/60/953156160.db2.gz RCYWUDJTNLZCMY-GFCCVEGCSA-N -1 1 383.416 1.450 20 0 GDADMM Cc1nc(C(=O)N2CCCC[C@@H]2CCNc2cnc(-c3nn[n-]n3)cn2)co1 ZINC001571226453 953156163 /nfs/dbraw/zinc/15/61/63/953156163.db2.gz RCYWUDJTNLZCMY-GFCCVEGCSA-N -1 1 383.416 1.450 20 0 GDADMM Cc1cc(C(=O)N2CCCC[C@@H]2[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)no1 ZINC001571226909 953157736 /nfs/dbraw/zinc/15/77/36/953157736.db2.gz WPIIYMVQYNGUFJ-SMDDNHRTSA-N -1 1 383.416 1.448 20 0 GDADMM Cc1cc(C(=O)N2CCCC[C@@H]2[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)no1 ZINC001571226909 953157739 /nfs/dbraw/zinc/15/77/39/953157739.db2.gz WPIIYMVQYNGUFJ-SMDDNHRTSA-N -1 1 383.416 1.448 20 0 GDADMM Cc1noc(C)c1C(=O)NC[C@@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571227155 953158226 /nfs/dbraw/zinc/15/82/26/953158226.db2.gz ZXCUBHMRQWEFEW-LBPRGKRZSA-N -1 1 383.416 1.050 20 0 GDADMM Cc1noc(C)c1C(=O)NC[C@@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571227155 953158229 /nfs/dbraw/zinc/15/82/29/953158229.db2.gz ZXCUBHMRQWEFEW-LBPRGKRZSA-N -1 1 383.416 1.050 20 0 GDADMM Cc1noc(C)c1C(=O)N[C@@H]1CC[C@H](C)N(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571227138 953158244 /nfs/dbraw/zinc/15/82/44/953158244.db2.gz ZLLMRMOVXJOMIX-JOYOIKCWSA-N -1 1 383.416 1.049 20 0 GDADMM Cc1noc(C)c1C(=O)N[C@@H]1CC[C@H](C)N(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571227138 953158246 /nfs/dbraw/zinc/15/82/46/953158246.db2.gz ZLLMRMOVXJOMIX-JOYOIKCWSA-N -1 1 383.416 1.049 20 0 GDADMM Cc1cc(F)cc(-c2nn[n-]n2)c1S(=O)(=O)N[C@@H](CO)CC1CCCC1 ZINC001571231453 953184684 /nfs/dbraw/zinc/18/46/84/953184684.db2.gz XEVFPMDEPGYRMZ-CYBMUJFWSA-N -1 1 383.449 1.534 20 0 GDADMM O=S(=O)(c1ccsc1-c1nn[n-]n1)N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC001571234039 953198557 /nfs/dbraw/zinc/19/85/57/953198557.db2.gz LFWBKOUWWWWSQA-NWDGAFQWSA-N -1 1 383.499 1.490 20 0 GDADMM COC[C@H]([N-]S(=O)(=O)c1cccc(-c2nn[nH]n2)c1Cl)c1ccco1 ZINC001571234873 953205974 /nfs/dbraw/zinc/20/59/74/953205974.db2.gz LFUITDBRXSXWDH-JTQLQIEISA-N -1 1 383.817 1.779 20 0 GDADMM COCC(=O)N1CC[C@@H]2[C@@H](CCN2c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571235039 953207968 /nfs/dbraw/zinc/20/79/68/953207968.db2.gz QUZWISPSHMNWNF-DTWKUNHWSA-N -1 1 383.865 1.050 20 0 GDADMM COCC(=O)N1CC[C@@H]2[C@@H](CCN2c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571235039 953207972 /nfs/dbraw/zinc/20/79/72/953207972.db2.gz QUZWISPSHMNWNF-DTWKUNHWSA-N -1 1 383.865 1.050 20 0 GDADMM O=C([C@@H]1CCOC1)N1CCC[C@H]1CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001571235266 953210070 /nfs/dbraw/zinc/21/00/70/953210070.db2.gz YPFRYPNCBFXARN-BDAKNGLRSA-N -1 1 383.865 1.416 20 0 GDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCCCN1C(=O)C1=COCCC1 ZINC001571242070 953253313 /nfs/dbraw/zinc/25/33/13/953253313.db2.gz ATQYOEBQWGEDPP-DOMZBBRYSA-N -1 1 384.444 1.533 20 0 GDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCCCN1C(=O)C1=COCCC1 ZINC001571242070 953253316 /nfs/dbraw/zinc/25/33/16/953253316.db2.gz ATQYOEBQWGEDPP-DOMZBBRYSA-N -1 1 384.444 1.533 20 0 GDADMM CN(C(=O)C1=COCCC1)C1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571243052 953262563 /nfs/dbraw/zinc/26/25/63/953262563.db2.gz USPDNSJEZLGPSI-UHFFFAOYSA-N -1 1 384.444 1.533 20 0 GDADMM CN(C(=O)C1=COCCC1)C1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571243052 953262567 /nfs/dbraw/zinc/26/25/67/953262567.db2.gz USPDNSJEZLGPSI-UHFFFAOYSA-N -1 1 384.444 1.533 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@](C)(CNc3ccnc(-c4nn[n-]n4)n3)C2)s1 ZINC001571244596 953265323 /nfs/dbraw/zinc/26/53/23/953265323.db2.gz BVKSPPBETXPMSS-QGZVFWFLSA-N -1 1 384.469 1.413 20 0 GDADMM CCCc1ccc(C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)s1 ZINC001571244660 953266139 /nfs/dbraw/zinc/26/61/39/953266139.db2.gz DDVLOMJPUGZXTI-XYPYZODXSA-N -1 1 384.469 1.466 20 0 GDADMM Cc1csc(C(=O)NC[C@H]2CCCCN2c2ccc(-c3nnn[n-]3)nn2)c1 ZINC001571245060 953270158 /nfs/dbraw/zinc/27/01/58/953270158.db2.gz NBSYITRYYUEXBI-GFCCVEGCSA-N -1 1 384.469 1.816 20 0 GDADMM Cc1csc(C(=O)NC[C@H]2CCCCN2c2ccc(-c3nn[n-]n3)nn2)c1 ZINC001571245060 953270160 /nfs/dbraw/zinc/27/01/60/953270160.db2.gz NBSYITRYYUEXBI-GFCCVEGCSA-N -1 1 384.469 1.816 20 0 GDADMM C[C@@H]1C[C@H](NC(=O)Cc2cccs2)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571245202 953271402 /nfs/dbraw/zinc/27/14/02/953271402.db2.gz FGIDZMUMJVULPQ-VXGBXAGGSA-N -1 1 384.469 1.434 20 0 GDADMM Cc1nsc(N2CC[C@H](CNC(=O)c3cccc(C)n3)C2)c1-c1nn[n-]n1 ZINC001571245713 953276172 /nfs/dbraw/zinc/27/61/72/953276172.db2.gz YLUZJMKXXPEGCA-GFCCVEGCSA-N -1 1 384.469 1.591 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCc1cccs1 ZINC001571246147 953281056 /nfs/dbraw/zinc/28/10/56/953281056.db2.gz UYZWKDRECHMHPL-YPMHNXCESA-N -1 1 384.469 1.752 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1cccs1 ZINC001571246147 953281060 /nfs/dbraw/zinc/28/10/60/953281060.db2.gz UYZWKDRECHMHPL-YPMHNXCESA-N -1 1 384.469 1.752 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C)c1cccs1 ZINC001571246366 953282562 /nfs/dbraw/zinc/28/25/62/953282562.db2.gz ZETXJFDMSIYBNZ-UTUOFQBUSA-N -1 1 384.469 1.605 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C)c1cccs1 ZINC001571246366 953282566 /nfs/dbraw/zinc/28/25/66/953282566.db2.gz ZETXJFDMSIYBNZ-UTUOFQBUSA-N -1 1 384.469 1.605 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC2(C)CCN(C(=O)C3=CCOCC3)CC2)n1 ZINC001571247612 953284129 /nfs/dbraw/zinc/28/41/29/953284129.db2.gz ATNAVLOHWLSPMF-UHFFFAOYSA-N -1 1 384.444 1.105 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC2(C)CCN(C(=O)C3=CCOCC3)CC2)n1 ZINC001571247612 953284134 /nfs/dbraw/zinc/28/41/34/953284134.db2.gz ATNAVLOHWLSPMF-UHFFFAOYSA-N -1 1 384.444 1.105 20 0 GDADMM CC(C)(C)C(=O)N1CC[C@@]2(C1)C[N@H+](Cc1ccccc1-c1nn[nH]n1)CCO2 ZINC001571248221 953290778 /nfs/dbraw/zinc/29/07/78/953290778.db2.gz NTSHWQGTVRLMGY-FQEVSTJZSA-N -1 1 384.484 1.716 20 0 GDADMM CC(C)(C)C(=O)N1CC[C@@]2(C1)C[N@@H+](Cc1ccccc1-c1nn[nH]n1)CCO2 ZINC001571248221 953290779 /nfs/dbraw/zinc/29/07/79/953290779.db2.gz NTSHWQGTVRLMGY-FQEVSTJZSA-N -1 1 384.484 1.716 20 0 GDADMM Cc1nsc(N2CC[C@@H](NC(=O)[C@@H](C)c3cccnc3)C2)c1-c1nn[n-]n1 ZINC001571248388 953292220 /nfs/dbraw/zinc/29/22/20/953292220.db2.gz SDUPMCATBAKZBC-GXFFZTMASA-N -1 1 384.469 1.525 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)C1CCCCC1 ZINC001571249325 953303714 /nfs/dbraw/zinc/30/37/14/953303714.db2.gz HMZFDFMYORACCB-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)C1CCCCC1 ZINC001571249325 953303719 /nfs/dbraw/zinc/30/37/19/953303719.db2.gz HMZFDFMYORACCB-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C)CC(=O)N1CCC[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CC[C@H]21 ZINC001571249456 953305512 /nfs/dbraw/zinc/30/55/12/953305512.db2.gz JGLPLWYTFKIHRE-ZIAGYGMSSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](NC(=O)C1CCCCC1)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571249460 953305664 /nfs/dbraw/zinc/30/56/64/953305664.db2.gz JIIVSXWVBXYYKO-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CN(C(=O)C2C(C)(C)C2(C)C)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571251462 953317253 /nfs/dbraw/zinc/31/72/53/953317253.db2.gz YGLNOZMPVYZIGX-NWDGAFQWSA-N -1 1 384.488 1.845 20 0 GDADMM C[C@H]1CN(C(=O)C2C(C)(C)C2(C)C)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571251462 953317257 /nfs/dbraw/zinc/31/72/57/953317257.db2.gz YGLNOZMPVYZIGX-NWDGAFQWSA-N -1 1 384.488 1.845 20 0 GDADMM C[C@H]1C[C@@H](NC(=O)C2C(C)(C)C2(C)C)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571251615 953318791 /nfs/dbraw/zinc/31/87/91/953318791.db2.gz ZYDMGHHSCZBDTP-RYUDHWBXSA-N -1 1 384.488 1.812 20 0 GDADMM C[C@H]1C[C@@H](NC(=O)C2C(C)(C)C2(C)C)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571251615 953318795 /nfs/dbraw/zinc/31/87/95/953318795.db2.gz ZYDMGHHSCZBDTP-RYUDHWBXSA-N -1 1 384.488 1.812 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C2CCN(C(=O)[C@H]3CCC3(C)C)CC2)n1 ZINC001571252869 953333835 /nfs/dbraw/zinc/33/38/35/953333835.db2.gz XMMWNSHTGYGRQY-CQSZACIVSA-N -1 1 384.488 1.829 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C2CCN(C(=O)[C@H]3CCC3(C)C)CC2)n1 ZINC001571252869 953333841 /nfs/dbraw/zinc/33/38/41/953333841.db2.gz XMMWNSHTGYGRQY-CQSZACIVSA-N -1 1 384.488 1.829 20 0 GDADMM CCC[C@@H]1C[C@H]1C(=O)N[C@@H](C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571252891 953334322 /nfs/dbraw/zinc/33/43/22/953334322.db2.gz YICGGTJIFJSHGX-NWANDNLSSA-N -1 1 384.488 1.814 20 0 GDADMM CCC[C@@H]1C[C@H]1C(=O)N[C@@H](C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571252891 953334324 /nfs/dbraw/zinc/33/43/24/953334324.db2.gz YICGGTJIFJSHGX-NWANDNLSSA-N -1 1 384.488 1.814 20 0 GDADMM Cc1cccc(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)c1Cl ZINC001571254303 953338365 /nfs/dbraw/zinc/33/83/65/953338365.db2.gz BKFRXCOGZUZZEY-LLVKDONJSA-N -1 1 384.831 1.627 20 0 GDADMM Cc1cccc(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)c1Cl ZINC001571254303 953338368 /nfs/dbraw/zinc/33/83/68/953338368.db2.gz BKFRXCOGZUZZEY-LLVKDONJSA-N -1 1 384.831 1.627 20 0 GDADMM Cc1c(Cl)cccc1C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571255097 953345533 /nfs/dbraw/zinc/34/55/33/953345533.db2.gz ICGMPESECFRHMM-LLVKDONJSA-N -1 1 384.831 1.945 20 0 GDADMM Cc1c(Cl)cccc1C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571255097 953345536 /nfs/dbraw/zinc/34/55/36/953345536.db2.gz ICGMPESECFRHMM-LLVKDONJSA-N -1 1 384.831 1.945 20 0 GDADMM C[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)c1ccc(Cl)cc1 ZINC001571255506 953349563 /nfs/dbraw/zinc/34/95/63/953349563.db2.gz MFLBWWKKUDBLJP-GWCFXTLKSA-N -1 1 384.831 1.447 20 0 GDADMM O=C(N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)c1ccc(Cl)cc1 ZINC001571255804 953356430 /nfs/dbraw/zinc/35/64/30/953356430.db2.gz PZTPGSQWOLLQFJ-ZDUSSCGKSA-N -1 1 384.831 1.709 20 0 GDADMM O=C(N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)c1ccc(Cl)cc1 ZINC001571255804 953356434 /nfs/dbraw/zinc/35/64/34/953356434.db2.gz PZTPGSQWOLLQFJ-ZDUSSCGKSA-N -1 1 384.831 1.709 20 0 GDADMM O=C([O-])C1CC2(C1)CC[C@@H](CNC(=O)N[C@@H]1CCCN3CCSC[C@@H]13)O2 ZINC001594750646 953424681 /nfs/dbraw/zinc/42/46/81/953424681.db2.gz VQBZOARPWGHMHS-QAVLVDEHSA-N -1 1 383.514 1.278 20 0 GDADMM CC(C)(CCNC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO)C(=O)[O-] ZINC000424405290 953470815 /nfs/dbraw/zinc/47/08/15/953470815.db2.gz OAFNPXBUACNUNT-IRXDYDNUSA-N -1 1 377.485 1.670 20 0 GDADMM CC[C@H](CNS(=O)(=O)N1CCC(C(=O)[O-])CC1)N1CCc2ccccc2C1 ZINC000566181342 953619975 /nfs/dbraw/zinc/61/99/75/953619975.db2.gz YVTJGZMQHCQGLU-GOSISDBHSA-N -1 1 395.525 1.454 20 0 GDADMM COc1cc(OC)c(CNC(=O)CN2CC[C@H](C)[C@@H](C(=O)[O-])C2)c(OC)c1 ZINC000566219742 953621814 /nfs/dbraw/zinc/62/18/14/953621814.db2.gz HKYGRULWHWNOQF-WFASDCNBSA-N -1 1 380.441 1.371 20 0 GDADMM O=C([O-])[C@@]1(NC(=O)Nc2cc(F)cc(CNC(=O)C(F)(F)F)c2)CCOC1 ZINC001594801720 953742477 /nfs/dbraw/zinc/74/24/77/953742477.db2.gz IDJVDBXHFYPEQU-CQSZACIVSA-N -1 1 393.293 1.369 20 0 GDADMM COc1cccc([C@H]2[C@H](NC(=O)c3cnc(C(=O)[O-])cn3)CCN2C2CC2)c1 ZINC000647171155 953952691 /nfs/dbraw/zinc/95/26/91/953952691.db2.gz BCQQEYPWLVAPBK-QAPCUYQASA-N -1 1 382.420 1.891 20 0 GDADMM C[C@](CNC(=O)N1CCN(C2CCOCC2)CC1)(C(=O)[O-])c1ccccc1 ZINC000652111147 954071250 /nfs/dbraw/zinc/07/12/50/954071250.db2.gz PHYSSRXSALJPTG-HXUWFJFHSA-N -1 1 375.469 1.535 20 0 GDADMM CC(C)[C@H](CNC(=O)NC1(CN2CCN(c3ccccc3)CC2)CC1)C(=O)[O-] ZINC000659412002 954335562 /nfs/dbraw/zinc/33/55/62/954335562.db2.gz KRBDYJGITNAYQB-SFHVURJKSA-N -1 1 388.512 1.997 20 0 GDADMM O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1nc(C2CC2)cs1 ZINC001594895437 954563186 /nfs/dbraw/zinc/56/31/86/954563186.db2.gz GSJFANZNYDEICX-PSASIEDQSA-N -1 1 391.371 1.757 20 0 GDADMM C[C@H]1CCCN(C(=O)CCn2c(=O)c3ccccc3[nH]c2=S)[C@H]1C(=O)[O-] ZINC000818325769 955391700 /nfs/dbraw/zinc/39/17/00/955391700.db2.gz QVFUJKFVLACQMU-XHDPSFHLSA-N -1 1 375.450 1.787 20 0 GDADMM O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)C1CC2(CC2(F)F)C1 ZINC000851703784 955825715 /nfs/dbraw/zinc/82/57/15/955825715.db2.gz YPHGKFQGVREENT-CNLDYIBBSA-N -1 1 384.301 1.545 20 0 GDADMM CNC(=O)c1cccc(C[N@H+]2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])c1 ZINC000852737531 955851295 /nfs/dbraw/zinc/85/12/95/955851295.db2.gz TWMCRTFXKDRHQF-STQMWFEESA-N -1 1 387.358 1.142 20 0 GDADMM CNC(=O)c1cccc(CN2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])c1 ZINC000852737531 955851308 /nfs/dbraw/zinc/85/13/08/955851308.db2.gz TWMCRTFXKDRHQF-STQMWFEESA-N -1 1 387.358 1.142 20 0 GDADMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)CCCc1nccs1 ZINC000852958423 955892648 /nfs/dbraw/zinc/89/26/48/955892648.db2.gz LFAMWWUBKREUJK-SKDRFNHKSA-N -1 1 393.387 1.589 20 0 GDADMM Cc1cc2c[nH]nc2c(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])c1 ZINC000852958411 955893850 /nfs/dbraw/zinc/89/38/50/955893850.db2.gz KYKXFFCQOBUZNK-YPMHNXCESA-N -1 1 398.341 1.608 20 0 GDADMM Cc1cc(F)ncc1C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000868440125 956014870 /nfs/dbraw/zinc/01/48/70/956014870.db2.gz CJBSXXFWEDFIMB-KOLCDFICSA-N -1 1 377.294 1.265 20 0 GDADMM Nc1cc(F)ccc1C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001594663336 956552260 /nfs/dbraw/zinc/55/22/60/956552260.db2.gz HVWYNOOZPCXGKN-GHMZBOCLSA-N -1 1 377.294 1.144 20 0 GDADMM CN1CCN(Cc2ccc(NC(=O)[C@@H]3CO[C@H](CCC(=O)[O-])C3)cc2)CC1 ZINC000901975485 956581267 /nfs/dbraw/zinc/58/12/67/956581267.db2.gz NWYABTCSJUVZSP-FUHWJXTLSA-N -1 1 375.469 1.642 20 0 GDADMM CCn1cc(Cl)cc1C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000902066811 956637731 /nfs/dbraw/zinc/63/77/31/956637731.db2.gz SIHWSIPLIHNJNI-GXSJLCMTSA-N -1 1 395.765 1.898 20 0 GDADMM CC1(CCCC[N@H+]2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])OCCO1 ZINC001589238942 956853588 /nfs/dbraw/zinc/85/35/88/956853588.db2.gz GJJZYRKSKLGRDP-RYUDHWBXSA-N -1 1 382.379 1.516 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1)C(=O)[O-] ZINC001603151680 972251162 /nfs/dbraw/zinc/25/11/62/972251162.db2.gz BBULKIAEGBUWQQ-VXGBXAGGSA-N -1 1 380.445 1.927 20 0 GDADMM CN1CCN(c2ccc(CNC(=O)N3CCCC[C@@H]3CCC(=O)[O-])cn2)CC1 ZINC001341345483 957979305 /nfs/dbraw/zinc/97/93/05/957979305.db2.gz UZUOEKYSQDFLFL-QGZVFWFLSA-N -1 1 389.500 1.762 20 0 GDADMM Cc1ccc2nc([C@@H]3CCCN3C(=O)[C@@H]3CCCN(CC(=O)[O-])C3=O)[nH]c2c1 ZINC001594381492 958629608 /nfs/dbraw/zinc/62/96/08/958629608.db2.gz LBGMDDVGNOFVSQ-CJNGLKHVSA-N -1 1 384.436 1.858 20 0 GDADMM CC(C)(C)OC(=O)NC(C)(C)c1cc(C[N@H+]2C[C@H]3COC[C@@]3(C(=O)[O-])C2)on1 ZINC001573437207 958813893 /nfs/dbraw/zinc/81/38/93/958813893.db2.gz LTPJXHSTQKYIFK-BUXKBTBVSA-N -1 1 395.456 1.967 20 0 GDADMM Cc1[nH]nc(C(=O)N2CCC[C@H](C)[C@H]2C(=O)[O-])c1I ZINC001594441122 959269273 /nfs/dbraw/zinc/26/92/73/959269273.db2.gz NLWRQOVVZIWYHK-WKEGUHRASA-N -1 1 377.182 1.648 20 0 GDADMM C[C@@H](N[C@H](Cc1ccccc1)C(=O)[O-])C(=O)N1CCN(c2ccccc2O)CC1 ZINC001603255180 972428000 /nfs/dbraw/zinc/42/80/00/972428000.db2.gz CJGZNWLCYNJQLW-SJLPKXTDSA-N -1 1 397.475 1.715 20 0 GDADMM C[C@H](NC(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)[O-] ZINC001594234767 959502900 /nfs/dbraw/zinc/50/29/00/959502900.db2.gz ZMEKQBRNOQQVHB-ZFWWWQNUSA-N -1 1 379.457 1.601 20 0 GDADMM CN1CCC[C@H]1CNS(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 ZINC000221179745 959805442 /nfs/dbraw/zinc/80/54/42/959805442.db2.gz UMOBKBVSGYIFKK-VIFPVBQESA-N -1 1 377.260 1.520 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@@H](C2CCN([C@@H]3CCN(CC(=O)[O-])C3=O)CC2)C1 ZINC001588680284 960617854 /nfs/dbraw/zinc/61/78/54/960617854.db2.gz ZOHZDGNWBVXDPN-HZPDHXFCSA-N -1 1 395.500 1.641 20 0 GDADMM C[C@](N)(C(=O)NCC1(C(=O)[O-])CCOCC1)c1ccc(Br)cc1 ZINC001329364685 961267990 /nfs/dbraw/zinc/26/79/90/961267990.db2.gz OMASGQJAADYLEF-OAHLLOKOSA-N -1 1 385.258 1.621 20 0 GDADMM Cc1nc(C(C)C)oc1C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001574417865 961333753 /nfs/dbraw/zinc/33/37/53/961333753.db2.gz WNGHXSLABZCMHR-NXEZZACHSA-N -1 1 391.346 1.843 20 0 GDADMM O=C([O-])C1CC2(C1)CC[C@@H](CNC(=O)N[C@@H](c1nnc[nH]1)c1ccccc1)O2 ZINC001574564096 962025855 /nfs/dbraw/zinc/02/58/55/962025855.db2.gz DTADFGQTFCTYPM-UARSRXHTSA-N -1 1 385.424 1.606 20 0 GDADMM COC(=O)C1CC2(C1)CN(C(=O)c1cc(-c3cccs3)[nH]n1)C[C@@H]2C(=O)[O-] ZINC001574047772 962133898 /nfs/dbraw/zinc/13/38/98/962133898.db2.gz MUFUIBFMLLJNFU-ARAINJGVSA-N -1 1 389.433 1.864 20 0 GDADMM CC(C)N1C(=O)C[C@H](NCC(=O)NCC(=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC001588922057 962389523 /nfs/dbraw/zinc/38/95/23/962389523.db2.gz WKXUHXWBTAWXIG-SUMWQHHRSA-N -1 1 385.823 1.320 20 0 GDADMM COc1cc(CN2CCC(n3cc(C(=O)[O-])nn3)CC2)cc(OC)c1OC ZINC001350599708 962544939 /nfs/dbraw/zinc/54/49/39/962544939.db2.gz KHXKARIJMBGTSX-UHFFFAOYSA-N -1 1 376.413 1.839 20 0 GDADMM C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)CC[C@@H]1N1CCN(C)CC1 ZINC001352081763 962626918 /nfs/dbraw/zinc/62/69/18/962626918.db2.gz QZYRBQDBTYZNDM-GUYCJALGSA-N -1 1 399.488 1.170 20 0 GDADMM CCN1CCN(CC(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC001550370293 962999879 /nfs/dbraw/zinc/99/98/79/962999879.db2.gz HBTVIDSYURJPIG-SJORKVTESA-N -1 1 379.888 1.604 20 0 GDADMM O=C([O-])c1cc(S(=O)(=O)NC[C@H]2CCCCN2Cc2ccccc2)on1 ZINC000316165235 963985690 /nfs/dbraw/zinc/98/56/90/963985690.db2.gz ROGPLJRYRFNIET-CQSZACIVSA-N -1 1 379.438 1.706 20 0 GDADMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)C(F)(F)c1ccccc1 ZINC000851700152 969281271 /nfs/dbraw/zinc/28/12/71/969281271.db2.gz KWPBZTSXYOATIP-MNOVXSKESA-N -1 1 394.296 1.901 20 0 GDADMM COc1cc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])ccc1F ZINC000851701795 969283058 /nfs/dbraw/zinc/28/30/58/969283058.db2.gz IOGXUDUEVUZTBR-CMPLNLGQSA-N -1 1 392.305 1.571 20 0 GDADMM CC(C)C[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)C(=O)[O-] ZINC001118149012 969663740 /nfs/dbraw/zinc/66/37/40/969663740.db2.gz UCSFFJQKFRUFDF-HNSVSWJLSA-N -1 1 382.505 1.116 20 0 GDADMM CC(=O)N[C@H]1CCCN(C(=O)CN2CCC(c3ccccc3C(=O)[O-])CC2)C1 ZINC001320587107 969699490 /nfs/dbraw/zinc/69/94/90/969699490.db2.gz SFIPLIBRSWKFHO-KRWDZBQOSA-N -1 1 387.480 1.691 20 0 GDADMM CN1CCN(c2cc(CNC(=O)N3CCCC[C@@H]3CCC(=O)[O-])ccn2)CC1 ZINC001339845933 969739878 /nfs/dbraw/zinc/73/98/78/969739878.db2.gz TVQMTEQFKHTGAQ-QGZVFWFLSA-N -1 1 389.500 1.762 20 0 GDADMM CSc1cccc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])n1 ZINC001604971902 972566691 /nfs/dbraw/zinc/56/66/91/972566691.db2.gz YTKYUBXRXWTBPK-KWQFWETISA-N -1 1 391.371 1.540 20 0 GDADMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001605969936 972972595 /nfs/dbraw/zinc/97/25/95/972972595.db2.gz HHHBWSKXIGPZPW-UPJWGTAASA-N -1 1 388.317 1.588 20 0 GDADMM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O ZINC001603388905 972996315 /nfs/dbraw/zinc/99/63/15/972996315.db2.gz SSIPDXSMXCNSSK-STQMWFEESA-N -1 1 396.465 1.502 20 0 GDADMM C[C@@H]1CN(Cc2ccc(CNC(=O)C3(C(=O)[O-])CCOCC3)cc2)C[C@H](C)O1 ZINC001603462009 973312010 /nfs/dbraw/zinc/31/20/10/973312010.db2.gz WPBSDJDFUGAKFW-IYBDPMFKSA-N -1 1 390.480 1.793 20 0 GDADMM COC[C@@]1(C(=O)[O-])CCN(CC(=O)Nc2nc3c(cccc3OC)s2)C1 ZINC001604541183 973516743 /nfs/dbraw/zinc/51/67/43/973516743.db2.gz AAYMROBPVLTKDW-QGZVFWFLSA-N -1 1 379.438 1.667 20 0 GDADMM Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(C(=O)c3c[nH]c4ccccc4c3=O)C2)cn1 ZINC001605489699 973635216 /nfs/dbraw/zinc/63/52/16/973635216.db2.gz GOOMWUDRTRYDNF-QWHCGFSZSA-N -1 1 380.404 1.592 20 0 GDADMM O=C([O-])[C@H](Cc1ccccc1)NCC(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC001606433830 973883194 /nfs/dbraw/zinc/88/31/94/973883194.db2.gz VPXFVYHEXGZVIP-SFHVURJKSA-N -1 1 387.480 1.133 20 0 GDADMM COc1cnc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)[O-])cc2)nc1 ZINC000543446936 974417820 /nfs/dbraw/zinc/41/78/20/974417820.db2.gz DZIWFSCIKDTIRO-UHFFFAOYSA-N -1 1 380.382 1.089 20 0 GDADMM CCOC(=O)c1[nH]c(C)c(C(=O)CN(CCC(=O)[O-])C2CCOCC2)c1C ZINC000567988999 974653006 /nfs/dbraw/zinc/65/30/06/974653006.db2.gz VAIYWHOBQRASHR-UHFFFAOYSA-N -1 1 380.441 1.947 20 0 GDADMM COc1ccc(-n2nc(C(=O)N3CCN([C@@H](C)CC(=O)[O-])CC3)cc2C)cc1 ZINC000630219208 975164954 /nfs/dbraw/zinc/16/49/54/975164954.db2.gz HUCNYEXLAVJGGR-AWEZNQCLSA-N -1 1 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GDADMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)C(=O)N1CCOCC1 ZINC000331229296 532140606 /nfs/dbraw/zinc/14/06/06/532140606.db2.gz GUAAYVVOKLYQDX-MRVPVSSYSA-N -1 1 385.244 1.658 20 0 GDADMM CNS(=O)(=O)C[C@H]1CCCN1C(=O)c1ccc(Br)cc1[O-] ZINC000331231674 532140719 /nfs/dbraw/zinc/14/07/19/532140719.db2.gz ILHGSAQGSNJXFP-SNVBAGLBSA-N -1 1 377.260 1.309 20 0 GDADMM C[C@@]1(C[C@@H]2CCCN2C(=O)c2cc(Br)ccc2[O-])NC(=O)NC1=O ZINC000286315979 532142229 /nfs/dbraw/zinc/14/22/29/532142229.db2.gz UHFNXGHKGKADFW-QFYYESIMSA-N -1 1 396.241 1.748 20 0 GDADMM CN1C(=S)N=NC1[C@@H]1CCCN(C(=O)c2ccc3n[n-]c(=S)n3c2)C1 ZINC000375090105 532146721 /nfs/dbraw/zinc/14/67/21/532146721.db2.gz KPBUYTFKSHYMHF-SECBINFHSA-N -1 1 375.483 1.455 20 0 GDADMM Cc1nc(S(=O)(=O)[N-]C[C@@H](c2ccco2)N(C)C)c(Br)n1C ZINC000286640919 532165990 /nfs/dbraw/zinc/16/59/90/532165990.db2.gz WFWMZBIWPVSHFO-JTQLQIEISA-N -1 1 391.291 1.665 20 0 GDADMM O=S(=O)([N-]CC1(CO)COC1)c1cc(Br)sc1Cl ZINC000331972446 532158144 /nfs/dbraw/zinc/15/81/44/532158144.db2.gz LXTZQDPZCYDXGA-UHFFFAOYSA-N -1 1 376.681 1.451 20 0 GDADMM CCOc1cc(C(=O)N(C)C2CCN(S(C)(=O)=O)CC2)cc(Cl)c1[O-] ZINC000273893120 532175565 /nfs/dbraw/zinc/17/55/65/532175565.db2.gz VTCYOOWNJWNRMW-UHFFFAOYSA-N -1 1 390.889 1.940 20 0 GDADMM Cc1nc(S(=O)(=O)[N-][C@H]2COc3ccccc3C2)c(Br)n1C ZINC000376244569 532200746 /nfs/dbraw/zinc/20/07/46/532200746.db2.gz VKXNJGFMPNXLLW-LLVKDONJSA-N -1 1 386.271 1.773 20 0 GDADMM Cc1nc(S(=O)(=O)[N-][C@H]2CCO[C@@H](C3CC3)C2)c(Br)n1C ZINC000376308938 532204819 /nfs/dbraw/zinc/20/48/19/532204819.db2.gz MCCQJNCXTOTZQN-WDEREUQCSA-N -1 1 378.292 1.727 20 0 GDADMM CCCCN(C(=O)CSc1nc(CC)cc(=O)[n-]1)[C@@H]1CCS(=O)(=O)C1 ZINC000428697520 532215044 /nfs/dbraw/zinc/21/50/44/532215044.db2.gz AGBTUUHXNBBENK-CYBMUJFWSA-N -1 1 387.527 1.653 20 0 GDADMM COc1cc(Br)ccc1CNC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000428277872 532202446 /nfs/dbraw/zinc/20/24/46/532202446.db2.gz BJTSQAUWBITMQD-UHFFFAOYSA-N -1 1 378.186 1.119 20 0 GDADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCCCO2)c(OC)c1 ZINC000333419786 532233631 /nfs/dbraw/zinc/23/36/31/532233631.db2.gz FTNZLFZVLWJVEP-UHFFFAOYSA-N -1 1 378.472 1.563 20 0 GDADMM CCOC(=O)N1CC[C@H]([N-]S(=O)(=O)c2nc(C)n(C)c2Br)C1 ZINC000287512117 532219996 /nfs/dbraw/zinc/21/99/96/532219996.db2.gz VBNCEWWEBHDRFB-VIFPVBQESA-N -1 1 395.279 1.000 20 0 GDADMM O=C([O-])[C@H]1[C@H]2CCCN2CCN1S(=O)(=O)c1cccc(Br)c1 ZINC000377113795 532243165 /nfs/dbraw/zinc/24/31/65/532243165.db2.gz KVZXIODWGOHFFU-CHWSQXEVSA-N -1 1 389.271 1.371 20 0 GDADMM COC(=O)c1c[n-]c(SCCOc2ccc(S(=O)(=O)N(C)C)cc2)n1 ZINC000274949256 532245899 /nfs/dbraw/zinc/24/58/99/532245899.db2.gz SJLRMGDFJHJGIJ-UHFFFAOYSA-N -1 1 385.467 1.618 20 0 GDADMM C[C@@]1(C[C@H]2CCCN2C(=O)c2ccc(Br)cc2[O-])NC(=O)NC1=O ZINC000287936262 532252754 /nfs/dbraw/zinc/25/27/54/532252754.db2.gz RFVJSZWNSIUQSS-HWPZZCPQSA-N -1 1 396.241 1.748 20 0 GDADMM CC(C)(C)OCc1cc(C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)no1 ZINC000274847967 532236806 /nfs/dbraw/zinc/23/68/06/532236806.db2.gz VVOWCSMHEWOBSF-UHFFFAOYSA-N -1 1 375.432 1.465 20 0 GDADMM C[C@H]1CC[C@]2(CCN(S(=O)(=O)CCCS(=O)(=O)[N-]CC(F)F)C2)C1 ZINC000349456438 532289519 /nfs/dbraw/zinc/28/95/19/532289519.db2.gz JBVAQZQRUGJHOC-JSGCOSHPSA-N -1 1 388.502 1.403 20 0 GDADMM CC[C@@H]1[C@@H](C)CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1cc(C)ccn1 ZINC000349450663 532285856 /nfs/dbraw/zinc/28/58/56/532285856.db2.gz AXMJGZRDPCZBEA-LSDHHAIUSA-N -1 1 389.543 1.972 20 0 GDADMM CC(C)c1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@H]2C(C)C)n[nH]1 ZINC000349451540 532286671 /nfs/dbraw/zinc/28/66/71/532286671.db2.gz CCVIMDOPKJTSQO-CQSZACIVSA-N -1 1 392.547 1.725 20 0 GDADMM CC(C)S(=O)(=O)CC[N-]S(=O)(=O)c1sccc1Br ZINC000288460389 532291802 /nfs/dbraw/zinc/29/18/02/532291802.db2.gz SNCJDPAABCAEOZ-UHFFFAOYSA-N -1 1 376.319 1.612 20 0 GDADMM NS(=O)(=O)c1cc(F)cc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000392233523 532298965 /nfs/dbraw/zinc/29/89/65/532298965.db2.gz CJNUOBDYYOTRFD-UHFFFAOYSA-N -1 1 388.398 1.045 20 0 GDADMM C[C@H]([N-]S(=O)(=O)c1cc(Br)cnc1Cl)c1ncn(C)n1 ZINC000275715674 532307559 /nfs/dbraw/zinc/30/75/59/532307559.db2.gz UZNANQFOOGFDNT-LURJTMIESA-N -1 1 380.655 1.666 20 0 GDADMM COC[C@@H](CCO)[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000276287109 532325783 /nfs/dbraw/zinc/32/57/83/532325783.db2.gz XUHZWOULQZUBCV-SSDOTTSWSA-N -1 1 390.658 1.917 20 0 GDADMM CC1(C)NC(=O)N(CCCC(=O)Nc2nc(Br)ccc2[O-])C1=O ZINC000275849125 532312245 /nfs/dbraw/zinc/31/22/45/532312245.db2.gz KQBKJASAURVIOA-UHFFFAOYSA-N -1 1 385.218 1.599 20 0 GDADMM O=C(CSCC(=O)N1CCOCC1)Nc1nc(Br)ccc1[O-] ZINC000275937736 532315289 /nfs/dbraw/zinc/31/52/89/532315289.db2.gz WWLLZFHCVUHBDN-UHFFFAOYSA-N -1 1 390.259 1.080 20 0 GDADMM COC[C@]1(C[N-]S(=O)(=O)c2ncn(C)c2Cl)OCCc2ccccc21 ZINC000289797110 532332478 /nfs/dbraw/zinc/33/24/78/532332478.db2.gz IZLHIUZFUYEHHQ-INIZCTEOSA-N -1 1 385.873 1.466 20 0 GDADMM COc1ncccc1N(C)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000737163437 598823629 /nfs/dbraw/zinc/82/36/29/598823629.db2.gz XGQZNISCWFBHLT-UHFFFAOYSA-N -1 1 380.817 1.749 20 0 GDADMM COc1ncccc1N(C)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000737163437 598823631 /nfs/dbraw/zinc/82/36/31/598823631.db2.gz XGQZNISCWFBHLT-UHFFFAOYSA-N -1 1 380.817 1.749 20 0 GDADMM O=S(=O)([N-]c1cnn(-c2ccncc2)c1)c1ccc(-c2nn[nH]n2)cc1F ZINC000738339588 598844046 /nfs/dbraw/zinc/84/40/46/598844046.db2.gz OCBWJAIRMMTCFF-UHFFFAOYSA-N -1 1 386.372 1.387 20 0 GDADMM Cc1nn(C)cc1C(=O)OCc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000737510532 598849829 /nfs/dbraw/zinc/84/98/29/598849829.db2.gz HYFDICOPQKDUKK-UHFFFAOYSA-N -1 1 378.396 1.760 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCc1nc(C2CCOCC2)no1 ZINC000737486177 598859817 /nfs/dbraw/zinc/85/98/17/598859817.db2.gz BPGQSZSYCWKBPN-UHFFFAOYSA-N -1 1 395.427 1.588 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCc1nc(C2CCOCC2)no1 ZINC000737486177 598859819 /nfs/dbraw/zinc/85/98/19/598859819.db2.gz BPGQSZSYCWKBPN-UHFFFAOYSA-N -1 1 395.427 1.588 20 0 GDADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ncc(-c2ccccc2)o1 ZINC000736131309 598876452 /nfs/dbraw/zinc/87/64/52/598876452.db2.gz PZNNTIYQZIPYRX-LLVKDONJSA-N -1 1 397.420 1.956 20 0 GDADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ncc(-c2ccccc2)o1 ZINC000736131309 598876454 /nfs/dbraw/zinc/87/64/54/598876454.db2.gz PZNNTIYQZIPYRX-LLVKDONJSA-N -1 1 397.420 1.956 20 0 GDADMM COCCS(=O)(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000737012889 598877274 /nfs/dbraw/zinc/87/72/74/598877274.db2.gz ABIKKHZQCXTWGW-UHFFFAOYSA-N -1 1 379.467 1.661 20 0 GDADMM C[C@@H]1C(=O)NCCN1C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000736227667 598906121 /nfs/dbraw/zinc/90/61/21/598906121.db2.gz DVCNYRWGZKLWQA-LLVKDONJSA-N -1 1 397.464 1.625 20 0 GDADMM Cc1cc(S(C)(=O)=O)ccc1[N-]S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000737282179 598909068 /nfs/dbraw/zinc/90/90/68/598909068.db2.gz BBQXHRNHIGHSDW-UHFFFAOYSA-N -1 1 393.450 1.379 20 0 GDADMM O=S(=O)([N-]c1cccnc1N1CCCC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000738343395 598910475 /nfs/dbraw/zinc/91/04/75/598910475.db2.gz YEHRBLZLJDCCON-UHFFFAOYSA-N -1 1 389.416 1.802 20 0 GDADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc(Cn2cncn2)cc1 ZINC000737301057 598930060 /nfs/dbraw/zinc/93/00/60/598930060.db2.gz HEBJYTNJFCSPDO-UHFFFAOYSA-N -1 1 396.436 1.616 20 0 GDADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc(C(=O)N(C)C)cc1 ZINC000737301018 598930326 /nfs/dbraw/zinc/93/03/26/598930326.db2.gz GWJWIBYQGWIZMK-UHFFFAOYSA-N -1 1 386.437 1.678 20 0 GDADMM CNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)cc1 ZINC000736879116 598946803 /nfs/dbraw/zinc/94/68/03/598946803.db2.gz PTJFVTCLDQIVIT-UHFFFAOYSA-N -1 1 386.437 1.264 20 0 GDADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1cccc(C(=O)NC2CC2)c1 ZINC000737225933 598947550 /nfs/dbraw/zinc/94/75/50/598947550.db2.gz VVUZJDHVYUFWCS-UHFFFAOYSA-N -1 1 398.448 1.868 20 0 GDADMM CCCC(=O)NC[C@@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000736418055 598965094 /nfs/dbraw/zinc/96/50/94/598965094.db2.gz YIIGKCUXKDMCCO-ZDUSSCGKSA-N -1 1 380.456 1.943 20 0 GDADMM CCCC(=O)NC[C@@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000736418055 598965096 /nfs/dbraw/zinc/96/50/96/598965096.db2.gz YIIGKCUXKDMCCO-ZDUSSCGKSA-N -1 1 380.456 1.943 20 0 GDADMM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cccc1-c1nn[nH]n1 ZINC000822128943 607255231 /nfs/dbraw/zinc/25/52/31/607255231.db2.gz GLSAUMHIMCPHNQ-UHFFFAOYSA-N -1 1 398.404 1.202 20 0 GDADMM CCCCNC(=O)[C@@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000736457319 598963858 /nfs/dbraw/zinc/96/38/58/598963858.db2.gz MYOSBWQHMXEGGI-CYBMUJFWSA-N -1 1 380.456 1.943 20 0 GDADMM CCCCNC(=O)[C@@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000736457319 598963859 /nfs/dbraw/zinc/96/38/59/598963859.db2.gz MYOSBWQHMXEGGI-CYBMUJFWSA-N -1 1 380.456 1.943 20 0 GDADMM Cn1cccc1[C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737611069 598971255 /nfs/dbraw/zinc/97/12/55/598971255.db2.gz BRAUFUGDRZVPTN-HNNXBMFYSA-N -1 1 376.417 1.870 20 0 GDADMM NC(=O)c1c2c(sc1NC(=O)c1ccc(-c3nnn[n-]3)nc1)CCCCC2 ZINC000737754649 598980698 /nfs/dbraw/zinc/98/06/98/598980698.db2.gz HFIJVBJETYVBMI-UHFFFAOYSA-N -1 1 383.437 1.943 20 0 GDADMM NC(=O)c1c2c(sc1NC(=O)c1ccc(-c3nn[n-]n3)nc1)CCCCC2 ZINC000737754649 598980699 /nfs/dbraw/zinc/98/06/99/598980699.db2.gz HFIJVBJETYVBMI-UHFFFAOYSA-N -1 1 383.437 1.943 20 0 GDADMM Cn1ccnc1[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)cc1 ZINC000737616664 598985498 /nfs/dbraw/zinc/98/54/98/598985498.db2.gz VGHFFCBJWAEJEL-HNNXBMFYSA-N -1 1 378.371 1.654 20 0 GDADMM Cn1ccnc1[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)cc1 ZINC000737616664 598985500 /nfs/dbraw/zinc/98/55/00/598985500.db2.gz VGHFFCBJWAEJEL-HNNXBMFYSA-N -1 1 378.371 1.654 20 0 GDADMM Cc1ccc([C@H](CN2CCOCC2)NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737321316 598986614 /nfs/dbraw/zinc/98/66/14/598986614.db2.gz SVMVJVUKEVQXKR-SFHVURJKSA-N -1 1 393.451 1.373 20 0 GDADMM Cc1ccc([C@H](CN2CCOCC2)NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737321316 598986616 /nfs/dbraw/zinc/98/66/16/598986616.db2.gz SVMVJVUKEVQXKR-SFHVURJKSA-N -1 1 393.451 1.373 20 0 GDADMM CC(C)(C)c1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)n(-c2ncccn2)n1 ZINC000735648324 599000996 /nfs/dbraw/zinc/00/09/96/599000996.db2.gz PXXSOHVGZCRBPV-UHFFFAOYSA-N -1 1 390.411 1.787 20 0 GDADMM CC(C)(C)c1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)n(-c2ncccn2)n1 ZINC000735648324 599000998 /nfs/dbraw/zinc/00/09/98/599000998.db2.gz PXXSOHVGZCRBPV-UHFFFAOYSA-N -1 1 390.411 1.787 20 0 GDADMM Cc1ccc(CCC(=O)NCCOC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737337527 599001818 /nfs/dbraw/zinc/00/18/18/599001818.db2.gz FTLFQXLWSQCLRK-UHFFFAOYSA-N -1 1 380.408 1.476 20 0 GDADMM Cc1ccc(CCC(=O)NCCOC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737337527 599001820 /nfs/dbraw/zinc/00/18/20/599001820.db2.gz FTLFQXLWSQCLRK-UHFFFAOYSA-N -1 1 380.408 1.476 20 0 GDADMM CC[C@H](NC(=S)NCCCc1[nH]nc(N)c1-c1nnn[n-]1)c1cccs1 ZINC000736370724 599013919 /nfs/dbraw/zinc/01/39/19/599013919.db2.gz OESVHHRULGZMIG-VIFPVBQESA-N -1 1 391.530 1.782 20 0 GDADMM CC[C@H](NC(=S)NCCCc1[nH]nc(N)c1-c1nn[n-]n1)c1cccs1 ZINC000736370724 599013921 /nfs/dbraw/zinc/01/39/21/599013921.db2.gz OESVHHRULGZMIG-VIFPVBQESA-N -1 1 391.530 1.782 20 0 GDADMM COc1cc(-c2nn[nH]n2)ccc1OCCS(=O)(=O)c1ccc([O-])cc1 ZINC000737033130 599024454 /nfs/dbraw/zinc/02/44/54/599024454.db2.gz SORJFMIFEUQVFA-UHFFFAOYSA-N -1 1 376.394 1.434 20 0 GDADMM Cc1noc([C@H]2CCCN(S(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)C2)n1 ZINC000737534917 599033284 /nfs/dbraw/zinc/03/32/84/599033284.db2.gz ODVCJJZZLXCXCR-JTQLQIEISA-N -1 1 393.404 1.266 20 0 GDADMM Cc1noc([C@H]2CCCN(S(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)C2)n1 ZINC000737534917 599033287 /nfs/dbraw/zinc/03/32/87/599033287.db2.gz ODVCJJZZLXCXCR-JTQLQIEISA-N -1 1 393.404 1.266 20 0 GDADMM Cc1ccc([C@H](O)CNC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)o1 ZINC000737317913 599056102 /nfs/dbraw/zinc/05/61/02/599056102.db2.gz ABYJFOBXFPBBHE-CYBMUJFWSA-N -1 1 386.412 1.268 20 0 GDADMM CCO[C@H](C)c1noc(CN2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)n1 ZINC000821346910 599079995 /nfs/dbraw/zinc/07/99/95/599079995.db2.gz RJBMYKZTRALNGU-GFCCVEGCSA-N -1 1 385.432 1.064 20 0 GDADMM CCO[C@H](C)c1noc(CN2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)n1 ZINC000821346910 599079997 /nfs/dbraw/zinc/07/99/97/599079997.db2.gz RJBMYKZTRALNGU-GFCCVEGCSA-N -1 1 385.432 1.064 20 0 GDADMM C[C@H]1C[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C(=O)N1c1cnn(C)c1 ZINC000820668142 599097857 /nfs/dbraw/zinc/09/78/57/599097857.db2.gz QDOGDYNXUAPVQM-POYBYMJQSA-N -1 1 379.837 1.316 20 0 GDADMM C[C@H]1C[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C(=O)N1c1cnn(C)c1 ZINC000820668142 599097860 /nfs/dbraw/zinc/09/78/60/599097860.db2.gz QDOGDYNXUAPVQM-POYBYMJQSA-N -1 1 379.837 1.316 20 0 GDADMM CCCOC(=O)[C@H](C)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000736487515 599131448 /nfs/dbraw/zinc/13/14/48/599131448.db2.gz HFCUDUARLIMGHM-NSHDSACASA-N -1 1 375.433 1.196 20 0 GDADMM C[C@@H](NC(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)cc1 ZINC000736159568 599134175 /nfs/dbraw/zinc/13/41/75/599134175.db2.gz WQYVQWCGHKTLIG-MNOVXSKESA-N -1 1 384.371 1.824 20 0 GDADMM C[C@@H](NC(=O)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)cc1 ZINC000736159568 599134176 /nfs/dbraw/zinc/13/41/76/599134176.db2.gz WQYVQWCGHKTLIG-MNOVXSKESA-N -1 1 384.371 1.824 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N(C)Cc1cccc(F)c1 ZINC000736157764 599134309 /nfs/dbraw/zinc/13/43/09/599134309.db2.gz MDXYTUQEANWDTR-LLVKDONJSA-N -1 1 384.371 1.605 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N(C)Cc1cccc(F)c1 ZINC000736157764 599134310 /nfs/dbraw/zinc/13/43/10/599134310.db2.gz MDXYTUQEANWDTR-LLVKDONJSA-N -1 1 384.371 1.605 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)c1cc2c(cc1F)NC(=O)CC2 ZINC000738301845 599139983 /nfs/dbraw/zinc/13/99/83/599139983.db2.gz CVXUPDOWQCDHRT-UHFFFAOYSA-N -1 1 396.338 1.325 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)c1cc2c(cc1F)NC(=O)CC2 ZINC000738301845 599139986 /nfs/dbraw/zinc/13/99/86/599139986.db2.gz CVXUPDOWQCDHRT-UHFFFAOYSA-N -1 1 396.338 1.325 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@H](COC(=O)c3ccc(-c4nnn[n-]4)nc3)C2)o1 ZINC000737308320 599154398 /nfs/dbraw/zinc/15/43/98/599154398.db2.gz IVRYEHYDJMJBLS-ZDUSSCGKSA-N -1 1 396.407 1.872 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@H](COC(=O)c3ccc(-c4nn[n-]n4)nc3)C2)o1 ZINC000737308320 599154401 /nfs/dbraw/zinc/15/44/01/599154401.db2.gz IVRYEHYDJMJBLS-ZDUSSCGKSA-N -1 1 396.407 1.872 20 0 GDADMM Cn1ccnc1[C@@H](O)[C@@H]1CCCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000822699024 607305611 /nfs/dbraw/zinc/30/56/11/607305611.db2.gz LTLVUSUDUKQYSU-SCZZXKLOSA-N -1 1 380.865 1.660 20 0 GDADMM Cn1ccnc1[C@@H](O)[C@@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000822699024 607305612 /nfs/dbraw/zinc/30/56/12/607305612.db2.gz LTLVUSUDUKQYSU-SCZZXKLOSA-N -1 1 380.865 1.660 20 0 GDADMM C[C@@H](C(=O)Nc1ccccc1C(=O)NCc1ccco1)N1CC[C@@H](C(=O)[O-])C1 ZINC000817744314 597535765 /nfs/dbraw/zinc/53/57/65/597535765.db2.gz WKJXUKADCBWCSQ-UONOGXRCSA-N -1 1 385.420 1.943 20 0 GDADMM Cc1cc(N2CCC[C@@H](N3CCN(CCCCC(=O)[O-])CC3)C2=O)n(C)n1 ZINC000820980813 597812034 /nfs/dbraw/zinc/81/20/34/597812034.db2.gz XGFLMLIVFWJWEO-MRXNPFEDSA-N -1 1 377.489 1.096 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCc2ccc(F)cc2C1 ZINC000823606565 607332988 /nfs/dbraw/zinc/33/29/88/607332988.db2.gz LFHFOVWWFKCFKS-UHFFFAOYSA-N -1 1 377.376 1.892 20 0 GDADMM CC(C)[C@@H](NCC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)C(=O)[O-] ZINC000820041952 598188444 /nfs/dbraw/zinc/18/84/44/598188444.db2.gz ZPZQCONQLOYAGW-CQSZACIVSA-N -1 1 389.283 1.736 20 0 GDADMM CCOc1cc(C=O)ccc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736624552 598259441 /nfs/dbraw/zinc/25/94/41/598259441.db2.gz CLPCWGZQBAXUFN-UHFFFAOYSA-N -1 1 375.366 1.241 20 0 GDADMM CCOc1cc(C=O)ccc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736624552 598259442 /nfs/dbraw/zinc/25/94/42/598259442.db2.gz CLPCWGZQBAXUFN-UHFFFAOYSA-N -1 1 375.366 1.241 20 0 GDADMM O=S(=O)(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738343012 598262866 /nfs/dbraw/zinc/26/28/66/598262866.db2.gz OCVCQADOHSLXFY-RKDXNWHRSA-N -1 1 376.364 1.661 20 0 GDADMM O=S(=O)(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738343012 598262868 /nfs/dbraw/zinc/26/28/68/598262868.db2.gz OCVCQADOHSLXFY-RKDXNWHRSA-N -1 1 376.364 1.661 20 0 GDADMM O=S(=O)(NCCOc1cccc2ccccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000738337474 598267476 /nfs/dbraw/zinc/26/74/76/598267476.db2.gz CRHSWVHIKAKMRY-UHFFFAOYSA-N -1 1 396.432 1.772 20 0 GDADMM O=S(=O)(NCCOc1cccc2ccccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000738337474 598267477 /nfs/dbraw/zinc/26/74/77/598267477.db2.gz CRHSWVHIKAKMRY-UHFFFAOYSA-N -1 1 396.432 1.772 20 0 GDADMM O=S(=O)(NCc1cc2c(s1)CCCC2)c1ccc(-c2nnn[n-]2)nc1 ZINC000738339585 598267911 /nfs/dbraw/zinc/26/79/11/598267911.db2.gz RZUNLJZBFCJNRC-UHFFFAOYSA-N -1 1 376.467 1.681 20 0 GDADMM O=S(=O)(NCc1cc2c(s1)CCCC2)c1ccc(-c2nn[n-]n2)nc1 ZINC000738339585 598267912 /nfs/dbraw/zinc/26/79/12/598267912.db2.gz RZUNLJZBFCJNRC-UHFFFAOYSA-N -1 1 376.467 1.681 20 0 GDADMM C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@@H](c2ccccc2)O1 ZINC000736291281 598268935 /nfs/dbraw/zinc/26/89/35/598268935.db2.gz VANXYTXPHHZLSW-WBMJQRKESA-N -1 1 386.437 1.412 20 0 GDADMM C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@@H](c2ccccc2)O1 ZINC000736291281 598268937 /nfs/dbraw/zinc/26/89/37/598268937.db2.gz VANXYTXPHHZLSW-WBMJQRKESA-N -1 1 386.437 1.412 20 0 GDADMM CN(C)S(=O)(=O)c1ccccc1CNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000736769824 598274920 /nfs/dbraw/zinc/27/49/20/598274920.db2.gz DPVMZERNSGIXMY-UHFFFAOYSA-N -1 1 393.860 1.778 20 0 GDADMM CN(C)S(=O)(=O)c1ccccc1CNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000736769824 598274922 /nfs/dbraw/zinc/27/49/22/598274922.db2.gz DPVMZERNSGIXMY-UHFFFAOYSA-N -1 1 393.860 1.778 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)O[C@H](C)C(=O)NCC(C)C ZINC000737546804 598298024 /nfs/dbraw/zinc/29/80/24/598298024.db2.gz GFNCPAIWDZOUDN-GFCCVEGCSA-N -1 1 386.412 1.876 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)O[C@H](C)C(=O)NCC(C)C ZINC000737546804 598298025 /nfs/dbraw/zinc/29/80/25/598298025.db2.gz GFNCPAIWDZOUDN-GFCCVEGCSA-N -1 1 386.412 1.876 20 0 GDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CCc1nnc(-c2cc3ccccc3o2)o1 ZINC000737776310 598302738 /nfs/dbraw/zinc/30/27/38/598302738.db2.gz KXGNADIJAOORAW-UHFFFAOYSA-N -1 1 391.351 1.715 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCc1nc2cccnc2[nH]1 ZINC000737200944 598311700 /nfs/dbraw/zinc/31/17/00/598311700.db2.gz OOSZJOAPWCCWBJ-UHFFFAOYSA-N -1 1 394.395 1.531 20 0 GDADMM O=S(=O)([N-]Cc1ccc(-c2nn[nH]n2)cc1F)c1cc(F)c(F)cc1F ZINC000738337444 598312875 /nfs/dbraw/zinc/31/28/75/598312875.db2.gz AXYZATVIZUPZND-UHFFFAOYSA-N -1 1 387.318 1.902 20 0 GDADMM FC(F)(F)c1cccc(CN2CCN(c3nccnc3-c3nnn[n-]3)CC2)c1 ZINC000737636463 598337987 /nfs/dbraw/zinc/33/79/87/598337987.db2.gz TUAYOMOLYUUJIE-UHFFFAOYSA-N -1 1 390.373 1.998 20 0 GDADMM FC(F)(F)c1cccc(CN2CCN(c3nccnc3-c3nn[n-]n3)CC2)c1 ZINC000737636463 598337989 /nfs/dbraw/zinc/33/79/89/598337989.db2.gz TUAYOMOLYUUJIE-UHFFFAOYSA-N -1 1 390.373 1.998 20 0 GDADMM O=C(N1CCN(c2nccnc2-c2nnn[n-]2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000737994396 598341079 /nfs/dbraw/zinc/34/10/79/598341079.db2.gz AFKLCLZTJNQPHL-UHFFFAOYSA-N -1 1 394.483 1.522 20 0 GDADMM O=C(N1CCN(c2nccnc2-c2nn[n-]n2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000737994396 598341081 /nfs/dbraw/zinc/34/10/81/598341081.db2.gz AFKLCLZTJNQPHL-UHFFFAOYSA-N -1 1 394.483 1.522 20 0 GDADMM CCc1nn(CCOc2cccc(C(=O)OC)c2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706218 598377580 /nfs/dbraw/zinc/37/75/80/598377580.db2.gz IOUOKHSXOCQZED-UHFFFAOYSA-N -1 1 398.423 1.414 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N(C)C[C@@H]1CCCOC1 ZINC000737487826 598466880 /nfs/dbraw/zinc/46/68/80/598466880.db2.gz NUHFWJBRNLCYIS-AWEZNQCLSA-N -1 1 398.471 1.344 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N(C)C[C@@H]1CCCOC1 ZINC000737487826 598466881 /nfs/dbraw/zinc/46/68/81/598466881.db2.gz NUHFWJBRNLCYIS-AWEZNQCLSA-N -1 1 398.471 1.344 20 0 GDADMM O=C(NCCn1ncnn1)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000823229516 607358056 /nfs/dbraw/zinc/35/80/56/607358056.db2.gz WEGBXONSUNACTG-UHFFFAOYSA-N -1 1 395.358 1.215 20 0 GDADMM O=C(NCCn1ncnn1)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000823229516 607358058 /nfs/dbraw/zinc/35/80/58/607358058.db2.gz WEGBXONSUNACTG-UHFFFAOYSA-N -1 1 395.358 1.215 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCC2CCC(c3ccccc3)CC2)n(C)c1=O ZINC000737597998 598503936 /nfs/dbraw/zinc/50/39/36/598503936.db2.gz WAPKWMKKIJVWDO-UHFFFAOYSA-N -1 1 395.467 1.650 20 0 GDADMM Nc1n[nH]c(CCCNC(=O)Nc2cc(F)ccc2Cl)c1-c1nnn[n-]1 ZINC000737776168 598559660 /nfs/dbraw/zinc/55/96/60/598559660.db2.gz KBVHUWLXXOXJJQ-UHFFFAOYSA-N -1 1 379.787 1.719 20 0 GDADMM Nc1n[nH]c(CCCNC(=O)Nc2cc(F)ccc2Cl)c1-c1nn[n-]n1 ZINC000737776168 598559661 /nfs/dbraw/zinc/55/96/61/598559661.db2.gz KBVHUWLXXOXJJQ-UHFFFAOYSA-N -1 1 379.787 1.719 20 0 GDADMM COc1ccccc1C1=NC(=Cc2cnc3c(-c4nnn[n-]4)cnn3c2)C(=O)O1 ZINC000737146606 598567024 /nfs/dbraw/zinc/56/70/24/598567024.db2.gz HXIQWWTWJMQMDF-MLPAPPSSSA-N -1 1 388.347 1.263 20 0 GDADMM COc1ccccc1C1=NC(=Cc2cnc3c(-c4nn[n-]n4)cnn3c2)C(=O)O1 ZINC000737146606 598567026 /nfs/dbraw/zinc/56/70/26/598567026.db2.gz HXIQWWTWJMQMDF-MLPAPPSSSA-N -1 1 388.347 1.263 20 0 GDADMM O=C(c1cccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)c1)N1CCOCC1 ZINC000738269848 598578062 /nfs/dbraw/zinc/57/80/62/598578062.db2.gz RROJMPLNSLTBDP-UHFFFAOYSA-N -1 1 399.842 2.000 20 0 GDADMM O=C(c1cccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)c1)N1CCOCC1 ZINC000738269848 598578063 /nfs/dbraw/zinc/57/80/63/598578063.db2.gz RROJMPLNSLTBDP-UHFFFAOYSA-N -1 1 399.842 2.000 20 0 GDADMM CC(C)N(C)c1cccc(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000735859588 598600969 /nfs/dbraw/zinc/60/09/69/598600969.db2.gz YCYMJXILVXVCSZ-UHFFFAOYSA-N -1 1 398.475 1.771 20 0 GDADMM CC(C)N(C)c1cccc(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000735859588 598600971 /nfs/dbraw/zinc/60/09/71/598600971.db2.gz YCYMJXILVXVCSZ-UHFFFAOYSA-N -1 1 398.475 1.771 20 0 GDADMM CCc1nn(CC(=O)NCc2cccc(C)c2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736704988 598641576 /nfs/dbraw/zinc/64/15/76/598641576.db2.gz BNKUWGXNFXSWRO-UHFFFAOYSA-N -1 1 381.440 1.173 20 0 GDADMM CCc1nn(Cc2nnc(-c3ccccc3)o2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736707762 598642598 /nfs/dbraw/zinc/64/25/98/598642598.db2.gz SUKSHZNIBIJGOM-UHFFFAOYSA-N -1 1 378.396 1.647 20 0 GDADMM CCc1nn(CC(=O)N2c3ccccc3C[C@H]2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706877 598643627 /nfs/dbraw/zinc/64/36/27/598643627.db2.gz ZLCJNSWAZNTVEE-GFCCVEGCSA-N -1 1 393.451 1.526 20 0 GDADMM Cc1ccc(NC(=O)Cn2cccc(-c3nn[n-]n3)c2=O)c(Br)c1 ZINC000737357791 598676901 /nfs/dbraw/zinc/67/69/01/598676901.db2.gz UYKUYVBAJFHANV-UHFFFAOYSA-N -1 1 389.213 1.738 20 0 GDADMM CN1C(=O)COc2ccc([N-]S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)cc21 ZINC000821620337 599306513 /nfs/dbraw/zinc/30/65/13/599306513.db2.gz GNQZOXSYBBEAQS-UHFFFAOYSA-N -1 1 386.393 1.023 20 0 GDADMM C[C@H]1CN(C)c2ccccc2N(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000820752782 599355332 /nfs/dbraw/zinc/35/53/32/599355332.db2.gz RNSFPZQCZZMXHM-LBPRGKRZSA-N -1 1 385.453 1.543 20 0 GDADMM C[C@H]1CN(C)c2ccccc2N(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000820752782 599355335 /nfs/dbraw/zinc/35/53/35/599355335.db2.gz RNSFPZQCZZMXHM-LBPRGKRZSA-N -1 1 385.453 1.543 20 0 GDADMM CC(C)(C(=O)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1)c1ccccc1 ZINC000735575036 599404043 /nfs/dbraw/zinc/40/40/43/599404043.db2.gz NWCZHEODMPGAEF-UHFFFAOYSA-N -1 1 377.452 1.888 20 0 GDADMM CC(C)(C(=O)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1)c1ccccc1 ZINC000735575036 599404045 /nfs/dbraw/zinc/40/40/45/599404045.db2.gz NWCZHEODMPGAEF-UHFFFAOYSA-N -1 1 377.452 1.888 20 0 GDADMM COc1ccc(CCC(=O)N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)cc1 ZINC000737085739 599418496 /nfs/dbraw/zinc/41/84/96/599418496.db2.gz ACZBMUYNWPJZHY-UHFFFAOYSA-N -1 1 393.451 1.552 20 0 GDADMM COc1ccc(CCC(=O)N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)cc1 ZINC000737085739 599418498 /nfs/dbraw/zinc/41/84/98/599418498.db2.gz ACZBMUYNWPJZHY-UHFFFAOYSA-N -1 1 393.451 1.552 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCC(C)(C)C[C@H](C)O ZINC000822005910 599428418 /nfs/dbraw/zinc/42/84/18/599428418.db2.gz VNFBKRDYOMMCHE-JTQLQIEISA-N -1 1 376.461 1.430 20 0 GDADMM O=C1C[C@@H](c2cccc([N-]S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)c2)CN1 ZINC000823520872 607378259 /nfs/dbraw/zinc/37/82/59/607378259.db2.gz OLFQSKMUKLKAKW-CYBMUJFWSA-N -1 1 384.421 1.271 20 0 GDADMM Cc1nn(C)c(C)c1CN1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000822491904 599534858 /nfs/dbraw/zinc/53/48/58/599534858.db2.gz JBEKAFYRHDXLKH-UHFFFAOYSA-N -1 1 393.908 1.649 20 0 GDADMM O=C(OCc1nc(Cc2ccc(F)cc2)no1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823440253 599661704 /nfs/dbraw/zinc/66/17/04/599661704.db2.gz JWLWEZQUZWGJCM-UHFFFAOYSA-N -1 1 381.327 1.732 20 0 GDADMM O=C(OCc1nc(Cc2ccc(F)cc2)no1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823440253 599661705 /nfs/dbraw/zinc/66/17/05/599661705.db2.gz JWLWEZQUZWGJCM-UHFFFAOYSA-N -1 1 381.327 1.732 20 0 GDADMM Cc1oc(NC(=O)COC(=O)CC[C@H]2CC[C@@H](C)O2)c(-c2nn[n-]n2)c1C ZINC000822548277 599672103 /nfs/dbraw/zinc/67/21/03/599672103.db2.gz HBUHYFLHKRUDIL-BXKDBHETSA-N -1 1 377.401 1.906 20 0 GDADMM C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C[C@H](C(F)(F)F)O1 ZINC000820768756 599682891 /nfs/dbraw/zinc/68/28/91/599682891.db2.gz PFLKCIMFEWHJKO-RDDDGLTNSA-N -1 1 395.338 1.346 20 0 GDADMM CC(C)[C@@H](C)NC(=O)C1CCN([C@H](C)C(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000736353220 599714022 /nfs/dbraw/zinc/71/40/22/599714022.db2.gz IFZRJHMVLFYWMR-HUUCEWRRSA-N -1 1 381.517 1.571 20 0 GDADMM O=C([O-])c1ccc(C(=O)NCCCCN2CCN(c3ncccn3)CC2)s1 ZINC000740110515 599754951 /nfs/dbraw/zinc/75/49/51/599754951.db2.gz XFMJVMIVFFBYMA-UHFFFAOYSA-N -1 1 389.481 1.569 20 0 GDADMM Cc1ccc(NC(=O)NC[C@H]2CCCN(CC(=O)NCCC(=O)[O-])C2)cc1 ZINC000738624477 599772016 /nfs/dbraw/zinc/77/20/16/599772016.db2.gz KXSRPCKANDDRNA-OAHLLOKOSA-N -1 1 376.457 1.419 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H](C)C(=O)OC(C)(C)C ZINC000737198584 607395083 /nfs/dbraw/zinc/39/50/83/607395083.db2.gz BCUDKHVVWFUJDV-NSHDSACASA-N -1 1 390.444 1.363 20 0 GDADMM O=C([O-])C1CCN(S(=O)(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000739597599 599812687 /nfs/dbraw/zinc/81/26/87/599812687.db2.gz MDCRWAZGYHFWNC-AWEZNQCLSA-N -1 1 387.527 1.516 20 0 GDADMM Cc1cc(NC(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)nn1C ZINC000826269957 607396388 /nfs/dbraw/zinc/39/63/88/607396388.db2.gz DPBZKRDUIKQWIF-UHFFFAOYSA-N -1 1 398.431 1.128 20 0 GDADMM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O ZINC000428055271 599858279 /nfs/dbraw/zinc/85/82/79/599858279.db2.gz DHKJVTGWRUOILW-QGZVFWFLSA-N -1 1 393.399 1.070 20 0 GDADMM CC[C@@H]1CN(CCn2cccn2)CCN1CC(=O)Nc1ccccc1C(=O)[O-] ZINC000736945925 599968299 /nfs/dbraw/zinc/96/82/99/599968299.db2.gz ZNSIUVPYLUEJAO-MRXNPFEDSA-N -1 1 385.468 1.616 20 0 GDADMM O=C([O-])c1ccc(S(=O)(=O)N2CCC(CCN3CCOCC3)CC2)s1 ZINC000740173283 599996172 /nfs/dbraw/zinc/99/61/72/599996172.db2.gz LPEPEHZZBJLEOX-UHFFFAOYSA-N -1 1 388.511 1.569 20 0 GDADMM COc1ccc([C@@H](CNC(=O)N2CCO[C@H](C(=O)[O-])C2)N2CCCC2)cc1 ZINC000737957560 600031944 /nfs/dbraw/zinc/03/19/44/600031944.db2.gz NYORDXCPEPAYEU-SJORKVTESA-N -1 1 377.441 1.327 20 0 GDADMM Cc1onc2c1c(C(=O)[O-])nn(CN1CCN(Cc3cccc(C)c3)CC1)c2=O ZINC000738707599 600032988 /nfs/dbraw/zinc/03/29/88/600032988.db2.gz ACSDGUJTXHSYMC-UHFFFAOYSA-N -1 1 397.435 1.475 20 0 GDADMM C[C@@H]1CN(Cc2ccc(CNC(=O)N3CCO[C@H](C(=O)[O-])C3)cc2)C[C@@H](C)O1 ZINC000736815729 600034604 /nfs/dbraw/zinc/03/46/04/600034604.db2.gz WVAQDBQKGXYFIF-RKVPGOIHSA-N -1 1 391.468 1.291 20 0 GDADMM C[C@H](NC(=O)N1CCO[C@H](C(=O)[O-])C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000736644701 600040078 /nfs/dbraw/zinc/04/00/78/600040078.db2.gz CVFRYRMGBPTDMI-GUYCJALGSA-N -1 1 394.447 1.134 20 0 GDADMM CN1CCC[C@H](NC(=O)C(=O)Nc2cccc(CSCCC(=O)[O-])c2)C1 ZINC000737524070 600127752 /nfs/dbraw/zinc/12/77/52/600127752.db2.gz VUOVYXFKPZPXCM-HNNXBMFYSA-N -1 1 379.482 1.543 20 0 GDADMM CCC[C@@](C)(NCC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1)C(=O)[O-] ZINC000736959152 600152425 /nfs/dbraw/zinc/15/24/25/600152425.db2.gz DHECDJQENKTZQH-CRAIPNDOSA-N -1 1 388.530 1.568 20 0 GDADMM COC(=O)CN(CC(=O)[O-])C(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000737604962 600250581 /nfs/dbraw/zinc/25/05/81/600250581.db2.gz LYQSEYYVWLFTMD-OAHLLOKOSA-N -1 1 376.453 1.416 20 0 GDADMM COc1cc2c(cc1OC)CN(C(=O)CN1CCC3(C[C@@H]3C(=O)[O-])CC1)CC2 ZINC000737908483 600289939 /nfs/dbraw/zinc/28/99/39/600289939.db2.gz VLGPTVDXAGEFPQ-MRXNPFEDSA-N -1 1 388.464 1.775 20 0 GDADMM C[C@H]1CN(CCCNC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)C[C@H](C)O1 ZINC000736812273 600300987 /nfs/dbraw/zinc/30/09/87/600300987.db2.gz VLMTYSXWDJTUTN-RYUDHWBXSA-N -1 1 381.404 1.078 20 0 GDADMM Cc1c(NC(=O)C(=O)NCc2n[nH]c(-c3ccccc3)n2)cccc1C(=O)[O-] ZINC000738300864 600341001 /nfs/dbraw/zinc/34/10/01/600341001.db2.gz WGPAIUNQIRTKAL-UHFFFAOYSA-N -1 1 379.376 1.733 20 0 GDADMM Cc1c(NC(=O)C(=O)NCc2nc(-c3ccccc3)n[nH]2)cccc1C(=O)[O-] ZINC000738300864 600341003 /nfs/dbraw/zinc/34/10/03/600341003.db2.gz WGPAIUNQIRTKAL-UHFFFAOYSA-N -1 1 379.376 1.733 20 0 GDADMM CCN1CCCC[C@@H]1CNS(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC000737115549 600347171 /nfs/dbraw/zinc/34/71/71/600347171.db2.gz MJTRXPQXBSJCOJ-CQSZACIVSA-N -1 1 384.454 1.324 20 0 GDADMM CN1CCN(c2ncccc2CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2)CC1 ZINC000737529961 600389019 /nfs/dbraw/zinc/38/90/19/600389019.db2.gz PQRYQYTTXKPLMA-UHFFFAOYSA-N -1 1 387.415 1.992 20 0 GDADMM Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)c1 ZINC000436993911 600391516 /nfs/dbraw/zinc/39/15/16/600391516.db2.gz ISBYUTMWRPLHJL-UHFFFAOYSA-N -1 1 399.446 1.912 20 0 GDADMM O=C([O-])CCNC(=O)c1ccc(NC(=O)c2nnc3ccccc3c2O)cc1 ZINC000739738975 600485421 /nfs/dbraw/zinc/48/54/21/600485421.db2.gz BUKPMDNGZRSYFO-UHFFFAOYSA-N -1 1 380.360 1.792 20 0 GDADMM COc1ccc(Cl)c(S(=O)(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)c1 ZINC000487389430 600487773 /nfs/dbraw/zinc/48/77/73/600487773.db2.gz NLLZKQSVIQPRCE-UHFFFAOYSA-N -1 1 398.824 1.964 20 0 GDADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000738518616 600509133 /nfs/dbraw/zinc/50/91/33/600509133.db2.gz LURBUAKFTOSMPJ-BMGDILEWSA-N -1 1 375.469 1.551 20 0 GDADMM O=C([O-])CCN(Cc1ccc(S(=O)(=O)N2CCCC2)o1)C[C@@H]1CCCO1 ZINC000569109393 600514199 /nfs/dbraw/zinc/51/41/99/600514199.db2.gz YXSAIAOKCJQGPO-AWEZNQCLSA-N -1 1 386.470 1.520 20 0 GDADMM CC(=O)N1c2ccc(S(=O)(=O)Nc3cnccc3C(=O)[O-])cc2C[C@@H]1C ZINC000736142018 600514747 /nfs/dbraw/zinc/51/47/47/600514747.db2.gz LWLHNVKDAMMGEX-JTQLQIEISA-N -1 1 375.406 1.878 20 0 GDADMM CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN[C@@](C)(CC)C(=O)[O-])cc1 ZINC000737089407 600562774 /nfs/dbraw/zinc/56/27/74/600562774.db2.gz UVGXDIKHEAPCME-KRWDZBQOSA-N -1 1 385.486 1.499 20 0 GDADMM O=C([O-])Cn1ccc(NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)n1 ZINC000739913041 600569977 /nfs/dbraw/zinc/56/99/77/600569977.db2.gz FKUHJJBILJZFAX-UHFFFAOYSA-N -1 1 375.404 1.893 20 0 GDADMM CCN1CCC(NS(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2)CC1 ZINC000737114897 600634516 /nfs/dbraw/zinc/63/45/16/600634516.db2.gz LNBOPTSVEUTZJD-UHFFFAOYSA-N -1 1 391.287 1.910 20 0 GDADMM COC(=O)[C@H](NS(=O)(=O)c1ccc(CC(=O)[O-])cc1)c1cc(F)ccc1F ZINC000737578945 600650228 /nfs/dbraw/zinc/65/02/28/600650228.db2.gz PNRRZPKSEJFLMU-MRXNPFEDSA-N 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OWIICAVFGDYINK-ZDUSSCGKSA-N -1 1 388.428 1.563 20 0 GDADMM Cn1nnnc1-c1cccc(S(=O)(=O)Nc2ccc(NC(=O)[O-])nc2)c1 ZINC000831066822 603242510 /nfs/dbraw/zinc/24/25/10/603242510.db2.gz ZKDWDNULRUPQIF-UHFFFAOYSA-N -1 1 375.370 1.163 20 0 GDADMM O=S(=O)(Oc1cccc(-n2ccnc2)c1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826493583 607620851 /nfs/dbraw/zinc/62/08/51/607620851.db2.gz RYFFFHHMZIBNHO-UHFFFAOYSA-N -1 1 386.368 1.959 20 0 GDADMM O=S(=O)(Oc1cccc(-n2ccnc2)c1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826493583 607620853 /nfs/dbraw/zinc/62/08/53/607620853.db2.gz RYFFFHHMZIBNHO-UHFFFAOYSA-N -1 1 386.368 1.959 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC(Cn2cccn2)CC1 ZINC000826495906 607622324 /nfs/dbraw/zinc/62/23/24/607622324.db2.gz FYWSUSSDPHTVIU-UHFFFAOYSA-N -1 1 391.432 1.303 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC(Cn2cccn2)CC1 ZINC000826495906 607622326 /nfs/dbraw/zinc/62/23/26/607622326.db2.gz FYWSUSSDPHTVIU-UHFFFAOYSA-N -1 1 391.432 1.303 20 0 GDADMM C[C@@H]1CN(C(=O)CCn2c(=O)c3ccccc3[nH]c2=S)CC[C@@H]1NC(=O)[O-] ZINC000739123899 603347789 /nfs/dbraw/zinc/34/77/89/603347789.db2.gz IDCQWGZPXIOESY-YPMHNXCESA-N -1 1 390.465 1.580 20 0 GDADMM C[C@H](CNC(=O)CN(C[C@H]1CCCO1)C(=O)[O-])N1CCc2ccccc2C1 ZINC000738919522 603392575 /nfs/dbraw/zinc/39/25/75/603392575.db2.gz YEBTUFWJLJTTHE-CRAIPNDOSA-N -1 1 375.469 1.708 20 0 GDADMM COc1ccccc1[C@@H](O)CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826219040 607626875 /nfs/dbraw/zinc/62/68/75/607626875.db2.gz RGNKSBFBEPRITM-ZDUSSCGKSA-N -1 1 393.400 1.026 20 0 GDADMM C[C@H](O)c1ccc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)cc1 ZINC000824706833 607627970 /nfs/dbraw/zinc/62/79/70/607627970.db2.gz KAEBHVBHNACIHO-VIFPVBQESA-N -1 1 395.391 1.677 20 0 GDADMM O=S(=O)(NCc1ccc(CO)c(F)c1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826492233 607628888 /nfs/dbraw/zinc/62/88/88/607628888.db2.gz YXEDGFFJEICLSJ-UHFFFAOYSA-N -1 1 381.364 1.116 20 0 GDADMM CC(C)(C)NC(=O)CN1CCC(CNC(=O)[C@H]2CCCCN2C(=O)[O-])CC1 ZINC000823771382 603470565 /nfs/dbraw/zinc/47/05/65/603470565.db2.gz CQONBLFCCFEWES-OAHLLOKOSA-N -1 1 382.505 1.262 20 0 GDADMM CCCc1nc([C@@H]2CN(C(=O)NCC[C@H]3CCN(C(=O)[O-])C3)CCO2)n[nH]1 ZINC000826954567 603499675 /nfs/dbraw/zinc/49/96/75/603499675.db2.gz RTBRYHSHJIUFQL-STQMWFEESA-N -1 1 380.449 1.230 20 0 GDADMM CCCc1n[nH]c([C@@H]2CN(C(=O)NCC[C@H]3CCN(C(=O)[O-])C3)CCO2)n1 ZINC000826954567 603499678 /nfs/dbraw/zinc/49/96/78/603499678.db2.gz RTBRYHSHJIUFQL-STQMWFEESA-N -1 1 380.449 1.230 20 0 GDADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N(C)CC(C)(C)CNC(=O)[O-] ZINC000825457806 603508640 /nfs/dbraw/zinc/50/86/40/603508640.db2.gz BZMGUBSZNWTFJV-LLVKDONJSA-N -1 1 375.429 1.433 20 0 GDADMM C[C@H](C(=O)N1CCN(C2CCOCC2)CC1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823668102 603512912 /nfs/dbraw/zinc/51/29/12/603512912.db2.gz BROWGLMPOAANMS-YJBOKZPZSA-N -1 1 375.469 1.955 20 0 GDADMM CCC[C@](C)(O)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825233598 607635975 /nfs/dbraw/zinc/63/59/75/607635975.db2.gz RGROZWHESKFMLV-ZDUSSCGKSA-N -1 1 393.391 1.715 20 0 GDADMM C[C@@H]1CN(C(=O)Nc2cc(C(N)=O)ccc2CN(C)C)CC[C@H]1NC(=O)[O-] ZINC000826007663 603562158 /nfs/dbraw/zinc/56/21/58/603562158.db2.gz NYWPISHXXHIGCV-BXUZGUMPSA-N -1 1 377.445 1.357 20 0 GDADMM C[C@@H](c1ccccc1)[C@H](CO)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824770832 607637132 /nfs/dbraw/zinc/63/71/32/607637132.db2.gz MZRHSBUINKOLQR-FZMZJTMJSA-N -1 1 391.428 1.449 20 0 GDADMM C[C@@H](c1ccccc1)[C@H](CO)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824770832 607637133 /nfs/dbraw/zinc/63/71/33/607637133.db2.gz MZRHSBUINKOLQR-FZMZJTMJSA-N -1 1 391.428 1.449 20 0 GDADMM O=C([O-])Nc1ccc(CCNC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000740018113 603568857 /nfs/dbraw/zinc/56/88/57/603568857.db2.gz PEGMPVKBKLPKNH-IRXDYDNUSA-N -1 1 376.457 1.560 20 0 GDADMM CN(C[C@@H]1CCCN1CC(=O)N1CCN(Cc2ccsc2)CC1)C(=O)[O-] ZINC000828223429 603577278 /nfs/dbraw/zinc/57/72/78/603577278.db2.gz LRLZWBZGFNKQQM-INIZCTEOSA-N -1 1 380.514 1.467 20 0 GDADMM O=C([O-])N[C@@H](CC(=O)N1CCN(C[C@@H]2CCOC2)CC1)Cc1ccccc1 ZINC000832098894 603583472 /nfs/dbraw/zinc/58/34/72/603583472.db2.gz JBWBLVZIQBKKSX-ZWKOTPCHSA-N -1 1 375.469 1.436 20 0 GDADMM O=C([O-])N[C@@H](C(=O)N1CCN(C[C@H]2CCOC2)CC1)c1cccc(Cl)c1 ZINC000832094652 603585286 /nfs/dbraw/zinc/58/52/86/603585286.db2.gz VFQCNCDNBYLVSQ-CZUORRHYSA-N -1 1 381.860 1.829 20 0 GDADMM CCC[C@@H](C)NC(=O)[C@H]1CCCN(CN2CC3(CN(C(=O)[O-])C3)CC2=O)C1 ZINC000826736146 603586314 /nfs/dbraw/zinc/58/63/14/603586314.db2.gz SFBZUSONMCNETE-CABCVRRESA-N -1 1 380.489 1.173 20 0 GDADMM O=S(=O)(N[C@@H](CO)c1ccc(F)cc1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826487019 607638553 /nfs/dbraw/zinc/63/85/53/607638553.db2.gz ADUQIZGVWUMNKZ-LBPRGKRZSA-N -1 1 397.819 1.671 20 0 GDADMM O=S(=O)(N[C@@H](CO)c1ccc(F)cc1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826487019 607638555 /nfs/dbraw/zinc/63/85/55/607638555.db2.gz ADUQIZGVWUMNKZ-LBPRGKRZSA-N -1 1 397.819 1.671 20 0 GDADMM Cc1cccc(N2CCN(CCCNC(=O)C(C)(C)CNC(=O)[O-])CC2)c1 ZINC000830511218 603630859 /nfs/dbraw/zinc/63/08/59/603630859.db2.gz FENBMAYFLZJYOH-UHFFFAOYSA-N -1 1 376.501 1.917 20 0 GDADMM CN(C(=O)[O-])[C@@H]1CCN(C(=O)NCC2(CN3CCOCC3)CCCCC2)C1 ZINC000827854020 603671843 /nfs/dbraw/zinc/67/18/43/603671843.db2.gz XSYYWUJTRVSVBC-MRXNPFEDSA-N -1 1 382.505 1.663 20 0 GDADMM C[C@@H]1CCCN(C(=O)CCN2CCN(c3ccccn3)CC2)[C@H]1CNC(=O)[O-] ZINC000825904117 603686546 /nfs/dbraw/zinc/68/65/46/603686546.db2.gz BNNBPIJOXVOBKW-SJORKVTESA-N -1 1 389.500 1.488 20 0 GDADMM CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000826691468 603715879 /nfs/dbraw/zinc/71/58/79/603715879.db2.gz RQHLFWHQSWTIJG-ZRNYENFQSA-N -1 1 391.512 1.948 20 0 GDADMM CCc1cnc(CCNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)s1 ZINC000825736316 607653193 /nfs/dbraw/zinc/65/31/93/607653193.db2.gz ZXOHITAOVKAFOL-UHFFFAOYSA-N -1 1 382.446 1.546 20 0 GDADMM O=S(=O)(NC[C@H]1OCCc2sccc21)c1cccc(F)c1-c1nnn[n-]1 ZINC000826490824 607651725 /nfs/dbraw/zinc/65/17/25/607651725.db2.gz ITJSAOQOUCAXAV-LLVKDONJSA-N -1 1 395.441 1.660 20 0 GDADMM O=S(=O)(NC[C@H]1OCCc2sccc21)c1cccc(F)c1-c1nn[n-]n1 ZINC000826490824 607651726 /nfs/dbraw/zinc/65/17/26/607651726.db2.gz ITJSAOQOUCAXAV-LLVKDONJSA-N -1 1 395.441 1.660 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCOC[C@H]1c1ccccc1 ZINC000826495192 607656679 /nfs/dbraw/zinc/65/66/79/607656679.db2.gz GXBRLUMYGRNPIQ-HNNXBMFYSA-N -1 1 389.412 1.768 20 0 GDADMM O=S(=O)(NCCc1cc(F)ccc1F)c1cccc(F)c1-c1nnn[n-]1 ZINC000826491521 607659882 /nfs/dbraw/zinc/65/98/82/607659882.db2.gz NCFIWVQPDXGCRL-UHFFFAOYSA-N -1 1 383.355 1.805 20 0 GDADMM O=S(=O)(NCCc1cc(F)ccc1F)c1cccc(F)c1-c1nn[n-]n1 ZINC000826491521 607659883 /nfs/dbraw/zinc/65/98/83/607659883.db2.gz NCFIWVQPDXGCRL-UHFFFAOYSA-N -1 1 383.355 1.805 20 0 GDADMM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)[C@@H](C)NC(=O)c1n[nH]c2ccccc21 ZINC000824183157 603940145 /nfs/dbraw/zinc/94/01/45/603940145.db2.gz OPPWXQOOLPCCLB-NEPJUHHUSA-N -1 1 375.429 1.480 20 0 GDADMM CC(C)[C@](C)(CNC(=O)[O-])NC(=O)[C@@H](C)NC(=O)c1n[nH]c2ccccc21 ZINC000825460080 603941099 /nfs/dbraw/zinc/94/10/99/603941099.db2.gz WPIGDIPRRDQNGF-ZMZPIMSZSA-N -1 1 375.429 1.480 20 0 GDADMM CCc1nnc([C@H]2CN(C(=O)C[C@@H](Cc3ccccc3)NC(=O)[O-])CCO2)[nH]1 ZINC000827620293 603946685 /nfs/dbraw/zinc/94/66/85/603946685.db2.gz HQUTZOKFPSSPPK-HUUCEWRRSA-N -1 1 387.440 1.536 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCOc2ncccc21 ZINC000826494962 607663807 /nfs/dbraw/zinc/66/38/07/607663807.db2.gz WWKVMSCIYITBTJ-UHFFFAOYSA-N -1 1 378.801 1.503 20 0 GDADMM C[C@H](CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)c1ccncc1 ZINC000824428233 607663840 /nfs/dbraw/zinc/66/38/40/607663840.db2.gz QWOHOJRTQYERPG-SNVBAGLBSA-N -1 1 378.845 1.997 20 0 GDADMM C[C@H](CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)c1ccncc1 ZINC000824428233 607663842 /nfs/dbraw/zinc/66/38/42/607663842.db2.gz QWOHOJRTQYERPG-SNVBAGLBSA-N -1 1 378.845 1.997 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC(c2ncc[nH]2)CC1 ZINC000826496130 607666773 /nfs/dbraw/zinc/66/67/73/607666773.db2.gz MEEXXWWJOMGDHL-UHFFFAOYSA-N -1 1 377.405 1.297 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC(c2ncc[nH]2)CC1 ZINC000826496130 607666775 /nfs/dbraw/zinc/66/67/75/607666775.db2.gz MEEXXWWJOMGDHL-UHFFFAOYSA-N -1 1 377.405 1.297 20 0 GDADMM O=C([O-])NC[C@H]1CCC[C@@H]1NC(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000832473171 604146196 /nfs/dbraw/zinc/14/61/96/604146196.db2.gz DAXJWYMBLQPENG-YPMHNXCESA-N -1 1 376.392 1.846 20 0 GDADMM O=C([O-])NC[C@H]1CCC[C@@H]1NC(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000832473171 604146199 /nfs/dbraw/zinc/14/61/99/604146199.db2.gz DAXJWYMBLQPENG-YPMHNXCESA-N -1 1 376.392 1.846 20 0 GDADMM O=C([O-])N1CCc2c(cccc2NC(=O)C(=O)N2CC[C@@H](N3CC=CC3)C2)C1 ZINC000831788619 604158878 /nfs/dbraw/zinc/15/88/78/604158878.db2.gz BGFGAJTZRNSOIC-OAHLLOKOSA-N -1 1 384.436 1.134 20 0 GDADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(CC(=O)NCc2cnn(-c3ccccc3)c2)C1 ZINC000825264860 604161289 /nfs/dbraw/zinc/16/12/89/604161289.db2.gz OKADXQPRKLBBNZ-DOTOQJQBSA-N -1 1 385.468 1.857 20 0 GDADMM O=C([O-])N[C@H](CNC(=O)N1CCN([C@H]2CCC[C@H]2O)CC1)c1ccccc1 ZINC000832129382 604225134 /nfs/dbraw/zinc/22/51/34/604225134.db2.gz XEUIHPRTJGEEOE-IXDOHACOSA-N -1 1 376.457 1.236 20 0 GDADMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000825254333 604251520 /nfs/dbraw/zinc/25/15/20/604251520.db2.gz MAGLQJZHIWSLHG-NEPJUHHUSA-N -1 1 392.412 1.432 20 0 GDADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)CCCOc2ccc3c(c2)OCO3)CC1 ZINC000827361662 604299182 /nfs/dbraw/zinc/29/91/82/604299182.db2.gz DBRRMCKLFDSNLX-AWEZNQCLSA-N -1 1 378.425 1.582 20 0 GDADMM CCc1nc([C@@H]2CN(C(=O)C[C@@H](C)[C@@H]3CCCN(C(=O)[O-])C3)CCO2)n[nH]1 ZINC000827620336 604383477 /nfs/dbraw/zinc/38/34/77/604383477.db2.gz IHBNXHILHYNAGR-MCIONIFRSA-N -1 1 379.461 1.683 20 0 GDADMM CCN(CC)C(=O)CN1CCCN(Cc2ccc(O[C@H](C)C(=O)[O-])cc2)CC1 ZINC000833654029 604533046 /nfs/dbraw/zinc/53/30/46/604533046.db2.gz WMSKNSNUTWCMMJ-QGZVFWFLSA-N -1 1 391.512 1.915 20 0 GDADMM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)NCCN(C)Cc2ccc(F)cc2)CCO1 ZINC000825319026 604559658 /nfs/dbraw/zinc/55/96/58/604559658.db2.gz RKNWLFSHHURDRA-CJNGLKHVSA-N -1 1 382.436 1.324 20 0 GDADMM C[C@H]1CN(Cc2ccc(CNC(=O)NC3CN(C(=O)[O-])C3)cc2)C[C@H](C)O1 ZINC000826059775 604568753 /nfs/dbraw/zinc/56/87/53/604568753.db2.gz ZSMQCMBMKTVVJT-KBPBESRZSA-N -1 1 376.457 1.457 20 0 GDADMM CCN(CC)C(=O)C1CCN([C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)CC1 ZINC000829648835 604588727 /nfs/dbraw/zinc/58/87/27/604588727.db2.gz SXZUZAOKASLNGY-HNNXBMFYSA-N -1 1 389.496 1.970 20 0 GDADMM Cc1ccc(-c2n[nH]c(SCC(=O)O[C@@H](C)C(=O)NCC(=O)[O-])n2)cc1 ZINC000832907516 604604031 /nfs/dbraw/zinc/60/40/31/604604031.db2.gz AKSRXADYTVVBEX-JTQLQIEISA-N -1 1 378.410 1.005 20 0 GDADMM C[C@H](c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])nc2)cc1)N1CCOCC1 ZINC000833548912 604700776 /nfs/dbraw/zinc/70/07/76/604700776.db2.gz UJLJMXRMGWOINU-CYBMUJFWSA-N -1 1 391.449 1.974 20 0 GDADMM Cc1cccc(N2CCN(CCCNC(=O)[C@@H]3CN(C(=O)[O-])CCO3)CC2)c1 ZINC000830511698 604702936 /nfs/dbraw/zinc/70/29/36/604702936.db2.gz MACIXXJYDUGCIS-SFHVURJKSA-N -1 1 390.484 1.002 20 0 GDADMM COc1ccccc1[C@H](CNC(=O)[C@@H]1CN(C(=O)[O-])CCO1)N1CCCCC1 ZINC000829591925 604729587 /nfs/dbraw/zinc/72/95/87/604729587.db2.gz IVSNDWZDZGAARU-WMZOPIPTSA-N -1 1 391.468 1.717 20 0 GDADMM CC[C@@H]1CN(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])CCN1CCOC ZINC000829140351 604752704 /nfs/dbraw/zinc/75/27/04/604752704.db2.gz DJEFANIZENAJSB-RTBURBONSA-N -1 1 389.496 1.067 20 0 GDADMM CC[C@H]1CN(CCn2cccn2)CCN1CC(=O)N(C)c1ccccc1C(=O)[O-] ZINC000829152632 604755701 /nfs/dbraw/zinc/75/57/01/604755701.db2.gz XYJULHLGGLCFLX-KRWDZBQOSA-N -1 1 399.495 1.641 20 0 GDADMM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCCC[C@@H]1CN1CCOCC1 ZINC000826004512 604769164 /nfs/dbraw/zinc/76/91/64/604769164.db2.gz ANAUJGMUMHQWDJ-QFBILLFUSA-N -1 1 389.496 1.576 20 0 GDADMM Cn1cc(S(=O)(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)cc1C(N)=O ZINC000833055542 604809662 /nfs/dbraw/zinc/80/96/62/604809662.db2.gz TTZKJWSZICHGND-UHFFFAOYSA-N -1 1 387.801 1.042 20 0 GDADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000826295084 607718334 /nfs/dbraw/zinc/71/83/34/607718334.db2.gz QLICKVPSRHJKNY-STQMWFEESA-N -1 1 381.440 1.675 20 0 GDADMM C[C@H]1NC(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)=NN(c2ccccc2)C1=O ZINC000833635566 604869864 /nfs/dbraw/zinc/86/98/64/604869864.db2.gz WTEBVDQGRZWMFQ-SNVBAGLBSA-N -1 1 392.375 1.538 20 0 GDADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000833420825 604954583 /nfs/dbraw/zinc/95/45/83/604954583.db2.gz AIZBFZPAAFNRFC-GFCCVEGCSA-N -1 1 383.470 1.095 20 0 GDADMM Cn1cc(NC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)cc1C(=O)[O-] ZINC000833051125 604962159 /nfs/dbraw/zinc/96/21/59/604962159.db2.gz OFGLIOZFUNBTSW-RDJZCZTQSA-N -1 1 386.452 1.728 20 0 GDADMM CCOc1ccc([C@@H]2CCCN2C(=O)CN2CCC([C@@H](O)C(=O)[O-])CC2)cc1 ZINC000833662993 604983944 /nfs/dbraw/zinc/98/39/44/604983944.db2.gz DOZXOCJFIUMDAA-AZUAARDMSA-N -1 1 390.480 1.906 20 0 GDADMM O=C([O-])[C@H](NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccnc1 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1 389.271 1.405 20 0 GDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCC(=O)Nc1ccc(Cl)cc1 ZINC000833625620 605137565 /nfs/dbraw/zinc/13/75/65/605137565.db2.gz NZCSHESZRHWVFR-LBPRGKRZSA-N -1 1 382.848 1.469 20 0 GDADMM CNC(=O)[C@@H](NCC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2)C(C)C ZINC000833699633 605141525 /nfs/dbraw/zinc/14/15/25/605141525.db2.gz UQWPXAIGUKINBI-BONVTDFDSA-N -1 1 381.498 1.870 20 0 GDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(CN2CCCCC2=O)cc1 ZINC000833627237 605156077 /nfs/dbraw/zinc/15/60/77/605156077.db2.gz VHYMUIMMZKTIJP-MRXNPFEDSA-N -1 1 387.480 1.820 20 0 GDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000833619574 605160736 /nfs/dbraw/zinc/16/07/36/605160736.db2.gz JFFPCSSFENXNLC-KXBFYZLASA-N -1 1 393.459 1.206 20 0 GDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000833618352 605168046 /nfs/dbraw/zinc/16/80/46/605168046.db2.gz AUSDXEPNOCFRSI-KUHUBIRLSA-N -1 1 383.489 1.641 20 0 GDADMM 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KBWTXVCPAOCGQG-KCPJHIHWSA-N -1 1 376.457 1.423 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(CN3C[C@H](C(=O)[O-])CC3=O)C[C@H]21 ZINC000833438349 605348781 /nfs/dbraw/zinc/34/87/81/605348781.db2.gz HYCRQSHHMPMTQH-KBUPBQIOSA-N -1 1 381.473 1.502 20 0 GDADMM C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000825836926 605365764 /nfs/dbraw/zinc/36/57/64/605365764.db2.gz BAKYGRVBZFGECV-MWLCHTKSSA-N -1 1 376.438 1.483 20 0 GDADMM COc1ccc(NC(=O)C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)cc1NC(=O)[O-] ZINC000829434486 605503965 /nfs/dbraw/zinc/50/39/65/605503965.db2.gz NAYYQUIUIFYJGH-VIFPVBQESA-N -1 1 375.385 1.503 20 0 GDADMM O=C([O-])N1CCC[C@@H](n2cc(C(=O)N3CCN(C4CCOCC4)CC3)cn2)C1 ZINC000834103978 605562191 /nfs/dbraw/zinc/56/21/91/605562191.db2.gz JDWYTQYNBSCSQB-QGZVFWFLSA-N -1 1 391.472 1.135 20 0 GDADMM CN(CCCNC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)C(=O)[O-] ZINC000828293587 605566837 /nfs/dbraw/zinc/56/68/37/605566837.db2.gz PEHJSXQUXQTOPK-IAGOWNOFSA-N -1 1 378.473 1.169 20 0 GDADMM COc1cccc([C@@H](CNC(=O)C[C@H]2CSCCN2C(=O)[O-])N(C)C)c1 ZINC000829543374 605601669 /nfs/dbraw/zinc/60/16/69/605601669.db2.gz JGILGNDBRAVNTG-GOEBONIOSA-N -1 1 381.498 1.900 20 0 GDADMM O=C([O-])N1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)c2ccc(F)cc2O)C1 ZINC000834032421 605609803 /nfs/dbraw/zinc/60/98/03/605609803.db2.gz WTMOQTNOMGSYKL-DOMZBBRYSA-N -1 1 393.415 1.642 20 0 GDADMM CCN(CCNC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)C(=O)[O-] ZINC000827141547 605611503 /nfs/dbraw/zinc/61/15/03/605611503.db2.gz NZSWDRGMTZWCSH-DLBZAZTESA-N -1 1 378.473 1.169 20 0 GDADMM CC(C)[C@H](CNC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)NC(=O)[O-] ZINC000824116529 605625004 /nfs/dbraw/zinc/62/50/04/605625004.db2.gz LKJFBGGRMMKOJN-OKZBNKHCSA-N -1 1 392.500 1.461 20 0 GDADMM CCOC(=O)c1cnn(C)c1NC(=O)CN(C)C1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000833860650 605876105 /nfs/dbraw/zinc/87/61/05/605876105.db2.gz BVSGAZPQKROBDL-FUNVUKJBSA-N -1 1 393.444 1.141 20 0 GDADMM COc1ccc(CN2CCCN(C(=O)CN3CC[C@H](NC(=O)[O-])C3)CC2)cc1 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NRRXCUGDMLLDSV-AWEZNQCLSA-N -1 1 384.783 1.877 20 0 GDADMM O=C(O[C@H]1CCN(c2cccc(Cl)c2)C1=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000823392216 606131598 /nfs/dbraw/zinc/13/15/98/606131598.db2.gz NRRXCUGDMLLDSV-AWEZNQCLSA-N -1 1 384.783 1.877 20 0 GDADMM CC1(C(=O)OCC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)CCC1 ZINC000820577512 606150348 /nfs/dbraw/zinc/15/03/48/606150348.db2.gz QKXSQBDIPPTOFZ-UHFFFAOYSA-N -1 1 381.396 1.724 20 0 GDADMM CC1(C(=O)OCC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)CCC1 ZINC000820577512 606150349 /nfs/dbraw/zinc/15/03/49/606150349.db2.gz QKXSQBDIPPTOFZ-UHFFFAOYSA-N -1 1 381.396 1.724 20 0 GDADMM Cc1[nH]ccc1C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000822009865 606150360 /nfs/dbraw/zinc/15/03/60/606150360.db2.gz FPIOWOUBCXQBDD-UHFFFAOYSA-N -1 1 392.379 1.484 20 0 GDADMM Cc1[nH]ccc1C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000822009865 606150362 /nfs/dbraw/zinc/15/03/62/606150362.db2.gz FPIOWOUBCXQBDD-UHFFFAOYSA-N -1 1 392.379 1.484 20 0 GDADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCNc1ccc(-c2nn[nH]n2)cn1 ZINC000822423712 606151089 /nfs/dbraw/zinc/15/10/89/606151089.db2.gz NKRHGLQHWSZRLS-UHFFFAOYSA-N -1 1 397.443 1.205 20 0 GDADMM CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000819789812 606153832 /nfs/dbraw/zinc/15/38/32/606153832.db2.gz YVLXWWUGRCPYGG-OAHLLOKOSA-N -1 1 378.396 1.503 20 0 GDADMM CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000819789812 606153833 /nfs/dbraw/zinc/15/38/33/606153833.db2.gz YVLXWWUGRCPYGG-OAHLLOKOSA-N -1 1 378.396 1.503 20 0 GDADMM CO[C@H](C)C(=O)Nc1cccc(NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC000821673398 606155823 /nfs/dbraw/zinc/15/58/23/606155823.db2.gz ADWJNBPWCAGSTD-SECBINFHSA-N -1 1 385.388 1.218 20 0 GDADMM CO[C@H](C)C(=O)Nc1cccc(NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC000821673398 606155825 /nfs/dbraw/zinc/15/58/25/606155825.db2.gz ADWJNBPWCAGSTD-SECBINFHSA-N -1 1 385.388 1.218 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)n1 ZINC000822609797 606168838 /nfs/dbraw/zinc/16/88/38/606168838.db2.gz VJGQJKNKNVFTQC-UONOGXRCSA-N -1 1 386.391 1.781 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)n1 ZINC000822609797 606168839 /nfs/dbraw/zinc/16/88/39/606168839.db2.gz VJGQJKNKNVFTQC-UONOGXRCSA-N -1 1 386.391 1.781 20 0 GDADMM C[C@@H](CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)Oc1ccc(Cl)cc1 ZINC000820270023 606169510 /nfs/dbraw/zinc/16/95/10/606169510.db2.gz SEWNGBIBQBGHOA-VIFPVBQESA-N -1 1 376.808 1.843 20 0 GDADMM C[C@@H](CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)Oc1ccc(Cl)cc1 ZINC000820270023 606169511 /nfs/dbraw/zinc/16/95/11/606169511.db2.gz SEWNGBIBQBGHOA-VIFPVBQESA-N -1 1 376.808 1.843 20 0 GDADMM CC(C)NC(=O)Nc1ccc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000820138214 606170406 /nfs/dbraw/zinc/17/04/06/606170406.db2.gz RVKJTMNEFYMVRX-UHFFFAOYSA-N -1 1 398.431 1.452 20 0 GDADMM CC(C)NC(=O)Nc1ccc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000820138214 606170408 /nfs/dbraw/zinc/17/04/08/606170408.db2.gz RVKJTMNEFYMVRX-UHFFFAOYSA-N -1 1 398.431 1.452 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccc(N3CCCCC3=O)cc2)n1 ZINC000822620623 606172342 /nfs/dbraw/zinc/17/23/42/606172342.db2.gz ZHIDXUQEDHQKPI-UHFFFAOYSA-N -1 1 395.427 1.439 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccc(N3CCCCC3=O)cc2)n1 ZINC000822620623 606172344 /nfs/dbraw/zinc/17/23/44/606172344.db2.gz ZHIDXUQEDHQKPI-UHFFFAOYSA-N -1 1 395.427 1.439 20 0 GDADMM CCN(Cc1ccc(OC)c(OC)c1)C(=O)Cn1cccc(-c2nn[n-]n2)c1=O ZINC000821222723 606176839 /nfs/dbraw/zinc/17/68/39/606176839.db2.gz XZBQGZDJVSNSJE-UHFFFAOYSA-N -1 1 398.423 1.094 20 0 GDADMM CC(C)N(C)C(=O)[C@H](C)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000819855543 606177964 /nfs/dbraw/zinc/17/79/64/606177964.db2.gz DZUHOECNOFBWTH-LBPRGKRZSA-N -1 1 388.476 1.109 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCCCN1CCCC1=O ZINC000822540969 606183209 /nfs/dbraw/zinc/18/32/09/606183209.db2.gz IRJMWURJEWARTO-UHFFFAOYSA-N -1 1 383.412 1.301 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCCN1CCCC1=O ZINC000822540969 606183210 /nfs/dbraw/zinc/18/32/10/606183210.db2.gz IRJMWURJEWARTO-UHFFFAOYSA-N -1 1 383.412 1.301 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C)cc1-c1nn[n-]n1 ZINC000821969401 606185397 /nfs/dbraw/zinc/18/53/97/606185397.db2.gz ABRKVFTXJOHZRZ-QMMMGPOBSA-N -1 1 394.457 1.491 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@@H](CCO)CC(C)C ZINC000822004448 606194772 /nfs/dbraw/zinc/19/47/72/606194772.db2.gz HOMLWWKBUVUISD-AWEZNQCLSA-N -1 1 390.488 1.678 20 0 GDADMM COc1cc(CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc(OC)c1OC ZINC000821712321 606194920 /nfs/dbraw/zinc/19/49/20/606194920.db2.gz FGHWLNWRWDJPNX-UHFFFAOYSA-N -1 1 385.380 1.779 20 0 GDADMM CC(=O)[C@H]1CC(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])=NN1c1ccccc1 ZINC000819782238 606196605 /nfs/dbraw/zinc/19/66/05/606196605.db2.gz IVWMDXVSZLMQJJ-MRXNPFEDSA-N -1 1 391.391 1.735 20 0 GDADMM O=C([O-])c1ccc(S(=O)(=O)Nc2cc(-c3nn[nH]n3)ccc2O)cc1Cl ZINC000823391837 606212667 /nfs/dbraw/zinc/21/26/67/606212667.db2.gz HCKVYOYYMLWADT-UHFFFAOYSA-N -1 1 395.784 1.725 20 0 GDADMM Cc1cccc([C@H](CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])NC(N)=O)c1 ZINC000822288759 606293117 /nfs/dbraw/zinc/29/31/17/606293117.db2.gz IQVAPXVENSLNPY-ZDUSSCGKSA-N -1 1 381.396 1.619 20 0 GDADMM CC1CCC(NS(=O)(=O)CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CC1 ZINC000820689707 606295367 /nfs/dbraw/zinc/29/53/67/606295367.db2.gz BPIZVZWICHNLME-UHFFFAOYSA-N -1 1 394.457 1.009 20 0 GDADMM C[C@@H]1CN(c2ccc(C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])cn2)C[C@@H](C)O1 ZINC000820767119 606296413 /nfs/dbraw/zinc/29/64/13/606296413.db2.gz GJJOENGTARZVRC-VXGBXAGGSA-N -1 1 395.423 1.833 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@H]1CCCSC1 ZINC000822458000 606364676 /nfs/dbraw/zinc/36/46/76/606364676.db2.gz BNFWLASUVHNASG-LBPRGKRZSA-N -1 1 386.485 1.471 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@H]1CCCSC1 ZINC000822458000 606364677 /nfs/dbraw/zinc/36/46/77/606364677.db2.gz BNFWLASUVHNASG-LBPRGKRZSA-N -1 1 386.485 1.471 20 0 GDADMM CC1=C(C(=O)N(C)C)[C@H](c2ccc(-c3nn[n-]n3)s2)NC(=S)N1C1CC1 ZINC000820633405 606395372 /nfs/dbraw/zinc/39/53/72/606395372.db2.gz BCNHDAFLDJYTIA-ZDUSSCGKSA-N -1 1 389.510 1.684 20 0 GDADMM O=C(NCc1ccccc1CN1CCCC1=O)c1ccc(-c2nnn[n-]2)s1 ZINC000823261373 606503801 /nfs/dbraw/zinc/50/38/01/606503801.db2.gz JQHUWMZAOLKHIV-UHFFFAOYSA-N -1 1 382.449 1.981 20 0 GDADMM O=C(NCc1ccccc1CN1CCCC1=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823261373 606503803 /nfs/dbraw/zinc/50/38/03/606503803.db2.gz JQHUWMZAOLKHIV-UHFFFAOYSA-N -1 1 382.449 1.981 20 0 GDADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(S(N)(=O)=O)cc1 ZINC000820391368 606517841 /nfs/dbraw/zinc/51/78/41/606517841.db2.gz OGSHQGYGKAQVJV-QMMMGPOBSA-N -1 1 378.439 1.067 20 0 GDADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(S(N)(=O)=O)cc1 ZINC000820391368 606517843 /nfs/dbraw/zinc/51/78/43/606517843.db2.gz OGSHQGYGKAQVJV-QMMMGPOBSA-N -1 1 378.439 1.067 20 0 GDADMM O=C(Nc1cccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1)NC1CC1 ZINC000823363691 606518983 /nfs/dbraw/zinc/51/89/83/606518983.db2.gz MDDACKYQEQRZMT-UHFFFAOYSA-N -1 1 379.380 1.903 20 0 GDADMM O=C(Nc1cccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1)NC1CC1 ZINC000823363691 606518986 /nfs/dbraw/zinc/51/89/86/606518986.db2.gz MDDACKYQEQRZMT-UHFFFAOYSA-N -1 1 379.380 1.903 20 0 GDADMM CCCCOc1ccc(C(=O)NCC(=O)Nc2n[nH]cc2-c2nnn[n-]2)cc1 ZINC000821077609 606530436 /nfs/dbraw/zinc/53/04/36/606530436.db2.gz NFZBPBPHULKQED-UHFFFAOYSA-N -1 1 384.400 1.137 20 0 GDADMM CCCCOc1ccc(C(=O)NCC(=O)Nc2n[nH]cc2-c2nn[n-]n2)cc1 ZINC000821077609 606530438 /nfs/dbraw/zinc/53/04/38/606530438.db2.gz NFZBPBPHULKQED-UHFFFAOYSA-N -1 1 384.400 1.137 20 0 GDADMM O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000823005450 606531477 /nfs/dbraw/zinc/53/14/77/606531477.db2.gz RPQRFFQRVGTWQW-UHFFFAOYSA-N -1 1 381.183 1.265 20 0 GDADMM O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000823005450 606531478 /nfs/dbraw/zinc/53/14/78/606531478.db2.gz RPQRFFQRVGTWQW-UHFFFAOYSA-N -1 1 381.183 1.265 20 0 GDADMM CS(=O)(=O)CCOc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821926253 606544054 /nfs/dbraw/zinc/54/40/54/606544054.db2.gz COGMVMDKYPJLMP-UHFFFAOYSA-N -1 1 393.450 1.604 20 0 GDADMM CS(=O)(=O)CCOc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821926253 606544056 /nfs/dbraw/zinc/54/40/56/606544056.db2.gz COGMVMDKYPJLMP-UHFFFAOYSA-N -1 1 393.450 1.604 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H](c2ccccc2)c2ccccn2)n1 ZINC000822609513 606597094 /nfs/dbraw/zinc/59/70/94/606597094.db2.gz OWRBCIUAIUDLEW-HNNXBMFYSA-N -1 1 375.396 1.906 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H](c2ccccc2)c2ccccn2)n1 ZINC000822609513 606597096 /nfs/dbraw/zinc/59/70/96/606597096.db2.gz OWRBCIUAIUDLEW-HNNXBMFYSA-N -1 1 375.396 1.906 20 0 GDADMM COC(=O)CCC1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000821660317 606612386 /nfs/dbraw/zinc/61/23/86/606612386.db2.gz NAKXAGYOEWAKIG-UHFFFAOYSA-N -1 1 397.432 1.360 20 0 GDADMM C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820254694 606647870 /nfs/dbraw/zinc/64/78/70/606647870.db2.gz UYZHWBVAPJXJHI-LLVKDONJSA-N -1 1 376.417 1.808 20 0 GDADMM C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820254694 606647871 /nfs/dbraw/zinc/64/78/71/606647871.db2.gz UYZHWBVAPJXJHI-LLVKDONJSA-N -1 1 376.417 1.808 20 0 GDADMM CC(C)(C)OC(=O)N1CCC(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC000819933405 606649276 /nfs/dbraw/zinc/64/92/76/606649276.db2.gz QIMVLBDGSCCECM-UHFFFAOYSA-N -1 1 388.428 1.952 20 0 GDADMM CC(C)(C)OC(=O)N1CCC(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC000819933405 606649277 /nfs/dbraw/zinc/64/92/77/606649277.db2.gz QIMVLBDGSCCECM-UHFFFAOYSA-N -1 1 388.428 1.952 20 0 GDADMM CC(C)S(=O)(=O)c1ccccc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820184152 606649882 /nfs/dbraw/zinc/64/98/82/606649882.db2.gz UTINUYUONGEKAK-UHFFFAOYSA-N -1 1 387.421 1.801 20 0 GDADMM CC(C)S(=O)(=O)c1ccccc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820184152 606649883 /nfs/dbraw/zinc/64/98/83/606649883.db2.gz UTINUYUONGEKAK-UHFFFAOYSA-N -1 1 387.421 1.801 20 0 GDADMM Cc1c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)nnn1-c1cccc(C)c1 ZINC000822284323 606652998 /nfs/dbraw/zinc/65/29/98/606652998.db2.gz OSHFSWHYZGSEHK-UHFFFAOYSA-N -1 1 376.380 1.816 20 0 GDADMM Cc1c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)nnn1-c1cccc(C)c1 ZINC000822284323 606652999 /nfs/dbraw/zinc/65/29/99/606652999.db2.gz OSHFSWHYZGSEHK-UHFFFAOYSA-N -1 1 376.380 1.816 20 0 GDADMM CCO[C@@H]1C[C@H](N(C)C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C1(C)C ZINC000821361157 606658282 /nfs/dbraw/zinc/65/82/82/606658282.db2.gz TVIFEDHGINNVCV-NWDGAFQWSA-N -1 1 392.485 1.965 20 0 GDADMM CCc1noc(CC)c1CNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821558835 606688101 /nfs/dbraw/zinc/68/81/01/606688101.db2.gz HBWXJHHDFWLSTP-UHFFFAOYSA-N -1 1 399.455 1.946 20 0 GDADMM O=C(Nc1cccn(Cc2ccc(F)cc2)c1=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000823372618 606693725 /nfs/dbraw/zinc/69/37/25/606693725.db2.gz HUKXHLZTAVHKPB-UHFFFAOYSA-N -1 1 391.366 1.863 20 0 GDADMM O=C(N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)c1cc2ccccc2o1 ZINC000823149580 606732113 /nfs/dbraw/zinc/73/21/13/606732113.db2.gz CJPMYLNOMALRFA-ZDUSSCGKSA-N -1 1 390.407 1.802 20 0 GDADMM O=C(N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)c1cc2ccccc2o1 ZINC000823149580 606732114 /nfs/dbraw/zinc/73/21/14/606732114.db2.gz CJPMYLNOMALRFA-ZDUSSCGKSA-N -1 1 390.407 1.802 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCO[C@@H](c2cccs2)C1 ZINC000823606758 606738934 /nfs/dbraw/zinc/73/89/34/606738934.db2.gz LLQLBGAEABLUMX-LLVKDONJSA-N -1 1 395.441 1.830 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCO[C@@H](c2cccs2)C1 ZINC000823606758 606738935 /nfs/dbraw/zinc/73/89/35/606738935.db2.gz LLQLBGAEABLUMX-LLVKDONJSA-N -1 1 395.441 1.830 20 0 GDADMM CCNC(=O)N1CC[C@@H](NC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)C1 ZINC000821286377 606744179 /nfs/dbraw/zinc/74/41/79/606744179.db2.gz RJIJZAAQNWLILW-GFCCVEGCSA-N -1 1 398.427 1.092 20 0 GDADMM CCNC(=O)N1CC[C@@H](NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)C1 ZINC000821286377 606744181 /nfs/dbraw/zinc/74/41/81/606744181.db2.gz RJIJZAAQNWLILW-GFCCVEGCSA-N -1 1 398.427 1.092 20 0 GDADMM O=C(C=C1CCC1)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000823017488 606762109 /nfs/dbraw/zinc/76/21/09/606762109.db2.gz AIEYHXFCMFMBQU-UHFFFAOYSA-N -1 1 379.380 1.644 20 0 GDADMM O=C(C=C1CCC1)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000823017488 606762110 /nfs/dbraw/zinc/76/21/10/606762110.db2.gz AIEYHXFCMFMBQU-UHFFFAOYSA-N -1 1 379.380 1.644 20 0 GDADMM C[C@@H]1CC[C@H](NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)[C@H](C)C1 ZINC000820691107 606792130 /nfs/dbraw/zinc/79/21/30/606792130.db2.gz VKAATJIAGDSGNR-KBXIAJHMSA-N -1 1 399.503 1.702 20 0 GDADMM C[C@@H]1CC[C@H](NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)[C@H](C)C1 ZINC000820691107 606792131 /nfs/dbraw/zinc/79/21/31/606792131.db2.gz VKAATJIAGDSGNR-KBXIAJHMSA-N -1 1 399.503 1.702 20 0 GDADMM C[C@H]1C[C@H](NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)C[C@@H](C)C1 ZINC000820649373 606792249 /nfs/dbraw/zinc/79/22/49/606792249.db2.gz LHEKHFISUUKWFX-BARDWOONSA-N -1 1 399.503 1.702 20 0 GDADMM C[C@H]1C[C@H](NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)C[C@@H](C)C1 ZINC000820649373 606792250 /nfs/dbraw/zinc/79/22/50/606792250.db2.gz LHEKHFISUUKWFX-BARDWOONSA-N -1 1 399.503 1.702 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)NC[C@H](O)c2ccco2)c1-c1nn[n-]n1 ZINC000821988088 606810960 /nfs/dbraw/zinc/81/09/60/606810960.db2.gz BYOXJYYUYZETHQ-LBPRGKRZSA-N -1 1 386.437 1.917 20 0 GDADMM CCc1ccsc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821497144 606818192 /nfs/dbraw/zinc/81/81/92/606818192.db2.gz PXNAEPFMOSKIDX-NSHDSACASA-N -1 1 384.469 1.632 20 0 GDADMM CCc1ccsc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821497144 606818194 /nfs/dbraw/zinc/81/81/94/606818194.db2.gz PXNAEPFMOSKIDX-NSHDSACASA-N -1 1 384.469 1.632 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccncc1Cl ZINC000820789036 606818346 /nfs/dbraw/zinc/81/83/46/606818346.db2.gz UFGJNNQUHUJUDX-SNVBAGLBSA-N -1 1 385.819 1.056 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccncc1Cl ZINC000820789036 606818348 /nfs/dbraw/zinc/81/83/48/606818348.db2.gz UFGJNNQUHUJUDX-SNVBAGLBSA-N -1 1 385.819 1.056 20 0 GDADMM CC(C)=C[C@@H]1[C@@H](C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)C1(C)C ZINC000820005181 606821135 /nfs/dbraw/zinc/82/11/35/606821135.db2.gz MDVUCPGDGMODBJ-KFWWJZLASA-N -1 1 396.499 1.932 20 0 GDADMM CC(C)=C[C@@H]1[C@@H](C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)C1(C)C ZINC000820005181 606821136 /nfs/dbraw/zinc/82/11/36/606821136.db2.gz MDVUCPGDGMODBJ-KFWWJZLASA-N -1 1 396.499 1.932 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc2c(s1)CCC2 ZINC000820788583 606823575 /nfs/dbraw/zinc/82/35/75/606823575.db2.gz KAAKLGDRUZSEEK-LLVKDONJSA-N -1 1 396.480 1.558 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc2c(s1)CCC2 ZINC000820788583 606823576 /nfs/dbraw/zinc/82/35/76/606823576.db2.gz KAAKLGDRUZSEEK-LLVKDONJSA-N -1 1 396.480 1.558 20 0 GDADMM CCCCSCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821077569 606823933 /nfs/dbraw/zinc/82/39/33/606823933.db2.gz LXRGGUQHMISEQH-LBPRGKRZSA-N -1 1 376.490 1.227 20 0 GDADMM CCCCSCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821077569 606823935 /nfs/dbraw/zinc/82/39/35/606823935.db2.gz LXRGGUQHMISEQH-LBPRGKRZSA-N -1 1 376.490 1.227 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NC1CCCCCC1 ZINC000820788290 606826457 /nfs/dbraw/zinc/82/64/57/606826457.db2.gz CFVRZXGQFQADKN-ZDUSSCGKSA-N -1 1 385.476 1.600 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NC1CCCCCC1 ZINC000820788290 606826458 /nfs/dbraw/zinc/82/64/58/606826458.db2.gz CFVRZXGQFQADKN-ZDUSSCGKSA-N -1 1 385.476 1.600 20 0 GDADMM COCCCOC1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000821687656 606845755 /nfs/dbraw/zinc/84/57/55/606845755.db2.gz JCSNBDJXKABQAG-UHFFFAOYSA-N -1 1 399.448 1.212 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCOC2(CCCCC2)C1 ZINC000823607924 606846296 /nfs/dbraw/zinc/84/62/96/606846296.db2.gz YZEZWFZFSVCHKH-UHFFFAOYSA-N -1 1 381.433 1.730 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC1(C(F)(F)F)CC1 ZINC000822459557 606850283 /nfs/dbraw/zinc/85/02/83/606850283.db2.gz SBMVDJRUSMDVQY-UHFFFAOYSA-N -1 1 394.361 1.670 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC1(C(F)(F)F)CC1 ZINC000822459557 606850284 /nfs/dbraw/zinc/85/02/84/606850284.db2.gz SBMVDJRUSMDVQY-UHFFFAOYSA-N -1 1 394.361 1.670 20 0 GDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc(F)cc1I ZINC000822903625 606858836 /nfs/dbraw/zinc/85/88/36/606858836.db2.gz LVSKXIMQECJYFY-UHFFFAOYSA-N -1 1 399.127 1.078 20 0 GDADMM O[C@H](C[C@@H]1COCCN1c1snc(Cl)c1-c1nnn[n-]1)c1ccco1 ZINC000823673175 606879251 /nfs/dbraw/zinc/87/92/51/606879251.db2.gz JXPHBNDVBXBFHO-RKDXNWHRSA-N -1 1 382.833 1.899 20 0 GDADMM O[C@H](C[C@@H]1COCCN1c1snc(Cl)c1-c1nn[n-]n1)c1ccco1 ZINC000823673175 606879253 /nfs/dbraw/zinc/87/92/53/606879253.db2.gz JXPHBNDVBXBFHO-RKDXNWHRSA-N -1 1 382.833 1.899 20 0 GDADMM COC(=O)[C@H]1CCCCCC[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821655553 606897658 /nfs/dbraw/zinc/89/76/58/606897658.db2.gz NIIQPACLACWNBN-STQMWFEESA-N -1 1 394.457 1.052 20 0 GDADMM COC(=O)[C@H]1CCCCCC[C@@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821655553 606897659 /nfs/dbraw/zinc/89/76/59/606897659.db2.gz NIIQPACLACWNBN-STQMWFEESA-N -1 1 394.457 1.052 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCO[C@@H](c2ccsc2)C1 ZINC000823601195 606941069 /nfs/dbraw/zinc/94/10/69/606941069.db2.gz VRBNGINRJXXVSX-CYBMUJFWSA-N -1 1 378.439 1.085 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCO[C@@H](c2ccsc2)C1 ZINC000823601195 606941070 /nfs/dbraw/zinc/94/10/70/606941070.db2.gz VRBNGINRJXXVSX-CYBMUJFWSA-N -1 1 378.439 1.085 20 0 GDADMM CCC[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccc(F)cc1F ZINC000821020959 606949206 /nfs/dbraw/zinc/94/92/06/606949206.db2.gz KEVJWXCURMUVAN-GFCCVEGCSA-N -1 1 391.382 1.496 20 0 GDADMM CS(=O)(=O)c1nnc(NC(=O)[C@H]2CCCN2Cc2ccc(Cl)cc2)[n-]1 ZINC000530262497 649969179 /nfs/dbraw/zinc/96/91/79/649969179.db2.gz RSIHANJMWBTANP-GFCCVEGCSA-N -1 1 383.861 1.465 20 0 GDADMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@H]2CCCN2Cc2ccc(Cl)cc2)n1 ZINC000530262497 649969183 /nfs/dbraw/zinc/96/91/83/649969183.db2.gz RSIHANJMWBTANP-GFCCVEGCSA-N -1 1 383.861 1.465 20 0 GDADMM CCCC1(CNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)CCC1 ZINC000821033871 606988459 /nfs/dbraw/zinc/98/84/59/606988459.db2.gz GGAFIULBANAKEA-AWEZNQCLSA-N -1 1 399.503 1.847 20 0 GDADMM CCCC1(CNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)CCC1 ZINC000821033871 606988460 /nfs/dbraw/zinc/98/84/60/606988460.db2.gz GGAFIULBANAKEA-AWEZNQCLSA-N -1 1 399.503 1.847 20 0 GDADMM CNS(=O)(=O)c1cccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1C ZINC000821637517 607027827 /nfs/dbraw/zinc/02/78/27/607027827.db2.gz JKAODAYHVXZKCW-UHFFFAOYSA-N -1 1 378.439 1.397 20 0 GDADMM CNS(=O)(=O)c1cccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1C ZINC000821637517 607027829 /nfs/dbraw/zinc/02/78/29/607027829.db2.gz JKAODAYHVXZKCW-UHFFFAOYSA-N -1 1 378.439 1.397 20 0 GDADMM COC(=O)C(C)(C)[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccccc1 ZINC000821637626 607070101 /nfs/dbraw/zinc/07/01/01/607070101.db2.gz NJIWGWFRXAEOMR-CYBMUJFWSA-N -1 1 398.427 1.662 20 0 GDADMM COC(=O)C(C)(C)[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccccc1 ZINC000821637626 607070102 /nfs/dbraw/zinc/07/01/02/607070102.db2.gz NJIWGWFRXAEOMR-CYBMUJFWSA-N -1 1 398.427 1.662 20 0 GDADMM O=C(CCCNC(=O)c1ccc(F)cc1)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822958700 607106775 /nfs/dbraw/zinc/10/67/75/607106775.db2.gz CBUSXAKUXUCKCA-UHFFFAOYSA-N -1 1 375.389 1.611 20 0 GDADMM O=C(CCCNC(=O)c1ccc(F)cc1)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822958700 607106776 /nfs/dbraw/zinc/10/67/76/607106776.db2.gz CBUSXAKUXUCKCA-UHFFFAOYSA-N -1 1 375.389 1.611 20 0 GDADMM Cc1cc2nc(C)c(CCC(=O)Nc3ncc(-c4nnn[n-]4)s3)c(C)n2n1 ZINC000822213072 607108289 /nfs/dbraw/zinc/10/82/89/607108289.db2.gz SQJWADFFXJUILR-UHFFFAOYSA-N -1 1 383.441 1.862 20 0 GDADMM Cc1cc2nc(C)c(CCC(=O)Nc3ncc(-c4nn[n-]n4)s3)c(C)n2n1 ZINC000822213072 607108291 /nfs/dbraw/zinc/10/82/91/607108291.db2.gz SQJWADFFXJUILR-UHFFFAOYSA-N -1 1 383.441 1.862 20 0 GDADMM CCCS(=O)(=O)Nc1cccc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)c1 ZINC000821139355 607108305 /nfs/dbraw/zinc/10/83/05/607108305.db2.gz VIIDIHGDTBCMDS-UHFFFAOYSA-N -1 1 393.454 1.727 20 0 GDADMM CCCS(=O)(=O)Nc1cccc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)c1 ZINC000821139355 607108307 /nfs/dbraw/zinc/10/83/07/607108307.db2.gz VIIDIHGDTBCMDS-UHFFFAOYSA-N -1 1 393.454 1.727 20 0 GDADMM Cc1oc(NC(=O)[C@H](C)N2CCOC3(CCOCC3)C2)c(-c2nn[n-]n2)c1C ZINC000822542033 607150597 /nfs/dbraw/zinc/15/05/97/607150597.db2.gz SRVRWRDJQIJNLF-LBPRGKRZSA-N -1 1 390.444 1.285 20 0 GDADMM CCc1cc(C)c(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)o1 ZINC000821469708 607159870 /nfs/dbraw/zinc/15/98/70/607159870.db2.gz IHBKRWLCPBQZQC-GFCCVEGCSA-N -1 1 382.428 1.471 20 0 GDADMM CCc1cc(C)c(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)o1 ZINC000821469708 607159871 /nfs/dbraw/zinc/15/98/71/607159871.db2.gz IHBKRWLCPBQZQC-GFCCVEGCSA-N -1 1 382.428 1.471 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccc(OCc2ccccn2)c1 ZINC000823136375 607207858 /nfs/dbraw/zinc/20/78/58/607207858.db2.gz YERBZXIRDSQCFE-UHFFFAOYSA-N -1 1 377.368 1.071 20 0 GDADMM CC[C@H](C)[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1nc2ccccc2[nH]1 ZINC000820859472 607208922 /nfs/dbraw/zinc/20/89/22/607208922.db2.gz DZABNUGTAGSSJY-HZMBPMFUSA-N -1 1 380.416 1.238 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCC1(c2ccc(Cl)cc2)CCCC1 ZINC000823126948 607210338 /nfs/dbraw/zinc/21/03/38/607210338.db2.gz OPWGNCYIWWMTIE-UHFFFAOYSA-N -1 1 386.847 1.740 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000823126032 607211918 /nfs/dbraw/zinc/21/19/18/607211918.db2.gz FWEVLSLALYUAQA-UHFFFAOYSA-N -1 1 379.211 1.571 20 0 GDADMM Cc1ccc(C)c([C@@H]2CN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)[C@@H](C)CO2)c1 ZINC000822232116 607219605 /nfs/dbraw/zinc/21/96/05/607219605.db2.gz UJQYOTWTJQDMSK-ZFWWWQNUSA-N -1 1 382.428 1.064 20 0 GDADMM COc1ccc(-c2ccc(CNC(=O)Cn3cnc(-c4nn[n-]n4)n3)s2)cc1 ZINC000821728241 607221473 /nfs/dbraw/zinc/22/14/73/607221473.db2.gz SIWBDOSLGIACOJ-UHFFFAOYSA-N -1 1 396.436 1.512 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCC[C@H]1C[C@@H](C)O ZINC000826328255 607779256 /nfs/dbraw/zinc/77/92/56/607779256.db2.gz KUGYLKSNKZQEIZ-RISCZKNCSA-N -1 1 398.471 1.221 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCC[C@H]1C[C@@H](C)O ZINC000826328255 607779257 /nfs/dbraw/zinc/77/92/57/607779257.db2.gz KUGYLKSNKZQEIZ-RISCZKNCSA-N -1 1 398.471 1.221 20 0 GDADMM COc1ccnc(CNC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)c1 ZINC000826221070 607792203 /nfs/dbraw/zinc/79/22/03/607792203.db2.gz NYMOIGDWUJKCMC-UHFFFAOYSA-N -1 1 379.380 1.892 20 0 GDADMM COc1ccnc(CNC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)c1 ZINC000826221070 607792204 /nfs/dbraw/zinc/79/22/04/607792204.db2.gz NYMOIGDWUJKCMC-UHFFFAOYSA-N -1 1 379.380 1.892 20 0 GDADMM C[C@H]1CCCC[C@H]1NC(=O)NC(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000824935992 607864112 /nfs/dbraw/zinc/86/41/12/607864112.db2.gz DLDUJAWUQHDCHI-CMPLNLGQSA-N -1 1 376.392 1.789 20 0 GDADMM C[C@H]1CCCC[C@H]1NC(=O)NC(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000824935992 607864113 /nfs/dbraw/zinc/86/41/13/607864113.db2.gz DLDUJAWUQHDCHI-CMPLNLGQSA-N -1 1 376.392 1.789 20 0 GDADMM CS(=O)(=O)c1ccc(OCCOc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826223797 607866145 /nfs/dbraw/zinc/86/61/45/607866145.db2.gz AEUUQAGNCXBHHL-UHFFFAOYSA-N -1 1 378.385 1.867 20 0 GDADMM CS(=O)(=O)c1ccc(OCCOc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826223797 607866146 /nfs/dbraw/zinc/86/61/46/607866146.db2.gz AEUUQAGNCXBHHL-UHFFFAOYSA-N -1 1 378.385 1.867 20 0 GDADMM CN1CCc2ccc(S(=O)(=O)Oc3cccc(F)c3-c3nnn[n-]3)cc21 ZINC000826045475 607867459 /nfs/dbraw/zinc/86/74/59/607867459.db2.gz WNXGUZUVRLEFKI-UHFFFAOYSA-N -1 1 375.385 1.766 20 0 GDADMM CN1CCc2ccc(S(=O)(=O)Oc3cccc(F)c3-c3nn[n-]n3)cc21 ZINC000826045475 607867460 /nfs/dbraw/zinc/86/74/60/607867460.db2.gz WNXGUZUVRLEFKI-UHFFFAOYSA-N -1 1 375.385 1.766 20 0 GDADMM Cc1nn(-c2ccccc2)c(COC(=O)C[C@@](C)(O)C2CC2)c1-c1nn[n-]n1 ZINC000826332909 607917825 /nfs/dbraw/zinc/91/78/25/607917825.db2.gz MLSBEBMBSWOMOK-LJQANCHMSA-N -1 1 382.424 1.955 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCc2c(F)cccc2C1 ZINC000826496553 607939244 /nfs/dbraw/zinc/93/92/44/607939244.db2.gz ZSYFDFLDKZZVRS-UHFFFAOYSA-N -1 1 377.376 1.892 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCc2c(F)cccc2C1 ZINC000826496553 607939245 /nfs/dbraw/zinc/93/92/45/607939245.db2.gz ZSYFDFLDKZZVRS-UHFFFAOYSA-N -1 1 377.376 1.892 20 0 GDADMM FC(F)Oc1cccc([C@H]2CN(c3nccnc3-c3nnn[n-]3)CCO2)c1 ZINC000826370586 607969014 /nfs/dbraw/zinc/96/90/14/607969014.db2.gz ZVDZUVJBDBTIJI-GFCCVEGCSA-N -1 1 375.339 1.836 20 0 GDADMM FC(F)Oc1cccc([C@H]2CN(c3nccnc3-c3nn[n-]n3)CCO2)c1 ZINC000826370586 607969015 /nfs/dbraw/zinc/96/90/15/607969015.db2.gz ZVDZUVJBDBTIJI-GFCCVEGCSA-N -1 1 375.339 1.836 20 0 GDADMM Cc1cnc(=S)n(CN2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)c1 ZINC000826316877 607970503 /nfs/dbraw/zinc/97/05/03/607970503.db2.gz BYQULIUFGFIJQI-UHFFFAOYSA-N -1 1 399.484 1.746 20 0 GDADMM Cc1ccc([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)cc1S(C)(=O)=O ZINC000826291824 607982843 /nfs/dbraw/zinc/98/28/43/607982843.db2.gz XNKSELDQPRPHLT-UHFFFAOYSA-N -1 1 393.450 1.379 20 0 GDADMM Brc1ccc([C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CCO2)cc1 ZINC000823827227 607989385 /nfs/dbraw/zinc/98/93/85/607989385.db2.gz XYWZMMVXJMTXSA-CYBMUJFWSA-N -1 1 388.229 1.997 20 0 GDADMM Brc1ccc([C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CCO2)cc1 ZINC000823827227 607989386 /nfs/dbraw/zinc/98/93/86/607989386.db2.gz XYWZMMVXJMTXSA-CYBMUJFWSA-N -1 1 388.229 1.997 20 0 GDADMM Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)Nc1cc(-c3nn[nH]n3)ccc1[O-])C2=O ZINC000826294147 607996785 /nfs/dbraw/zinc/99/67/85/607996785.db2.gz KCEVQFVDDSLRSX-SNVBAGLBSA-N -1 1 392.375 1.504 20 0 GDADMM O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826425919 607996911 /nfs/dbraw/zinc/99/69/11/607996911.db2.gz ZYZMIQXTJGPLEG-UHFFFAOYSA-N -1 1 397.786 1.518 20 0 GDADMM CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825221281 607997467 /nfs/dbraw/zinc/99/74/67/607997467.db2.gz ZHYZIJZQQFCROV-CFDVYZKQSA-N -1 1 388.453 1.769 20 0 GDADMM COc1ccc(-c2nc(SCc3cn(C)nn3)[nH]c(=O)c2-c2nn[n-]n2)cc1 ZINC000826181483 608055022 /nfs/dbraw/zinc/05/50/22/608055022.db2.gz ALPNRTBJOVBDJR-UHFFFAOYSA-N -1 1 397.424 1.459 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc(OCc3ccccc3)cc2)c1=O ZINC000826357214 608096708 /nfs/dbraw/zinc/09/67/08/608096708.db2.gz WAUIIHHQAVFHDC-UHFFFAOYSA-N -1 1 390.403 1.354 20 0 GDADMM CCCC[C@H](OC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)C(=O)OC ZINC000825268016 608103189 /nfs/dbraw/zinc/10/31/89/608103189.db2.gz QEDLOVFNPFMEDH-ZDUSSCGKSA-N -1 1 391.428 1.792 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC000824109942 608116729 /nfs/dbraw/zinc/11/67/29/608116729.db2.gz ZYVLRLNTSWFAAF-JTQLQIEISA-N -1 1 378.458 1.961 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC000824109942 608116730 /nfs/dbraw/zinc/11/67/30/608116730.db2.gz ZYVLRLNTSWFAAF-JTQLQIEISA-N -1 1 378.458 1.961 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCc1noc(C2CC2)n1 ZINC000826340632 608156926 /nfs/dbraw/zinc/15/69/26/608156926.db2.gz FRVUERSXDOVQFO-UHFFFAOYSA-N -1 1 380.368 1.749 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCc1noc(C2CC2)n1 ZINC000826340632 608156927 /nfs/dbraw/zinc/15/69/27/608156927.db2.gz FRVUERSXDOVQFO-UHFFFAOYSA-N -1 1 380.368 1.749 20 0 GDADMM CCC1(CC)[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)[C@H](C)[C@@H]1OC ZINC000825170593 608157307 /nfs/dbraw/zinc/15/73/07/608157307.db2.gz DBHULEFWILUDIX-GDLCADMTSA-N -1 1 380.474 1.380 20 0 GDADMM CCC1(CC)[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)[C@H](C)[C@@H]1OC ZINC000825170593 608157309 /nfs/dbraw/zinc/15/73/09/608157309.db2.gz DBHULEFWILUDIX-GDLCADMTSA-N -1 1 380.474 1.380 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000826340730 608168951 /nfs/dbraw/zinc/16/89/51/608168951.db2.gz IOZSZURSIYMJNZ-YJYMSZOUSA-N -1 1 398.423 1.627 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000826340730 608168953 /nfs/dbraw/zinc/16/89/53/608168953.db2.gz IOZSZURSIYMJNZ-YJYMSZOUSA-N -1 1 398.423 1.627 20 0 GDADMM Cc1oc(NC(=O)COC(=O)c2cnn(C(C)C)c2C)c(-c2nn[n-]n2)c1C ZINC000826342729 608181216 /nfs/dbraw/zinc/18/12/16/608181216.db2.gz XIPLOPMNFCGXOP-UHFFFAOYSA-N -1 1 387.400 1.958 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H](CO)CC(F)(F)F ZINC000826340909 608182693 /nfs/dbraw/zinc/18/26/93/608182693.db2.gz OTFOSJFBLANSTC-VIFPVBQESA-N -1 1 384.318 1.602 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H](CO)CC(F)(F)F ZINC000826340909 608182694 /nfs/dbraw/zinc/18/26/94/608182694.db2.gz OTFOSJFBLANSTC-VIFPVBQESA-N -1 1 384.318 1.602 20 0 GDADMM C[C@H](Sc1ccccn1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824764241 608212924 /nfs/dbraw/zinc/21/29/24/608212924.db2.gz URCVKJNKXWTILM-JTQLQIEISA-N -1 1 387.473 1.139 20 0 GDADMM C[C@H](Sc1ccccn1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824764241 608212925 /nfs/dbraw/zinc/21/29/25/608212925.db2.gz URCVKJNKXWTILM-JTQLQIEISA-N -1 1 387.473 1.139 20 0 GDADMM CCCn1ncc(C(=O)OCC)c1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000825362279 608265256 /nfs/dbraw/zinc/26/52/56/608265256.db2.gz LVXSDTRLPYWQNU-UHFFFAOYSA-N -1 1 375.414 1.964 20 0 GDADMM CCCn1ncc(C(=O)OCC)c1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000825362279 608265258 /nfs/dbraw/zinc/26/52/58/608265258.db2.gz LVXSDTRLPYWQNU-UHFFFAOYSA-N -1 1 375.414 1.964 20 0 GDADMM NC(=O)c1cc([C@@H]2CCCN(c3snc(Cl)c3-c3nnn[n-]3)C2)n[nH]1 ZINC000826392891 608293116 /nfs/dbraw/zinc/29/31/16/608293116.db2.gz RIBVRIIJVMNADN-ZCFIWIBFSA-N -1 1 379.837 1.183 20 0 GDADMM NC(=O)c1cc([C@@H]2CCCN(c3snc(Cl)c3-c3nn[n-]n3)C2)n[nH]1 ZINC000826392891 608293118 /nfs/dbraw/zinc/29/31/18/608293118.db2.gz RIBVRIIJVMNADN-ZCFIWIBFSA-N -1 1 379.837 1.183 20 0 GDADMM NC(=O)c1cc([C@H]2CCCN(c3snc(Cl)c3-c3nnn[n-]3)C2)n[nH]1 ZINC000826392890 608293513 /nfs/dbraw/zinc/29/35/13/608293513.db2.gz RIBVRIIJVMNADN-LURJTMIESA-N -1 1 379.837 1.183 20 0 GDADMM NC(=O)c1cc([C@H]2CCCN(c3snc(Cl)c3-c3nn[n-]n3)C2)n[nH]1 ZINC000826392890 608293515 /nfs/dbraw/zinc/29/35/15/608293515.db2.gz RIBVRIIJVMNADN-LURJTMIESA-N -1 1 379.837 1.183 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCC[C@@H]2COCC[C@H]21 ZINC000826494432 608302980 /nfs/dbraw/zinc/30/29/80/608302980.db2.gz BNDVBZMLZRAYOI-ZWNOBZJWSA-N -1 1 383.861 1.710 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000826495718 608305950 /nfs/dbraw/zinc/30/59/50/608305950.db2.gz YWUYCZKNMOOADS-OLZOCXBDSA-N -1 1 395.460 1.833 20 0 GDADMM O=C(O[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccc([O-])cc1F ZINC000826461852 608321235 /nfs/dbraw/zinc/32/12/35/608321235.db2.gz IKJZFAMKVPQNCM-OAHLLOKOSA-N -1 1 383.339 1.674 20 0 GDADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC000826223525 608336398 /nfs/dbraw/zinc/33/63/98/608336398.db2.gz PQWQJYVGNCOCFZ-UHFFFAOYSA-N -1 1 377.361 1.025 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N2CCSC(C)(C)C2)n1 ZINC000824806765 608355942 /nfs/dbraw/zinc/35/59/42/608355942.db2.gz AMSUAIWEPFFLAM-UHFFFAOYSA-N -1 1 392.489 1.111 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N2CCSC(C)(C)C2)n1 ZINC000824806765 608355943 /nfs/dbraw/zinc/35/59/43/608355943.db2.gz AMSUAIWEPFFLAM-UHFFFAOYSA-N -1 1 392.489 1.111 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CC[C@@H](C)[C@H](C)C1 ZINC000826327379 608384441 /nfs/dbraw/zinc/38/44/41/608384441.db2.gz FOQGGKIJDFDYOQ-VXGBXAGGSA-N -1 1 382.472 1.963 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CC[C@@H](C)[C@H](C)C1 ZINC000826327379 608384443 /nfs/dbraw/zinc/38/44/43/608384443.db2.gz FOQGGKIJDFDYOQ-VXGBXAGGSA-N -1 1 382.472 1.963 20 0 GDADMM O=C(CNc1ccc(-c2nnn[n-]2)nn1)Nc1ccc(Br)cc1 ZINC000826414189 608402463 /nfs/dbraw/zinc/40/24/63/608402463.db2.gz JRLQOKPCDOMNTH-UHFFFAOYSA-N -1 1 375.190 1.470 20 0 GDADMM O=C(CNc1ccc(-c2nn[n-]n2)nn1)Nc1ccc(Br)cc1 ZINC000826414189 608402465 /nfs/dbraw/zinc/40/24/65/608402465.db2.gz JRLQOKPCDOMNTH-UHFFFAOYSA-N -1 1 375.190 1.470 20 0 GDADMM O=C(NC[C@@H]1CCCO1)c1cccc(CNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826435802 608405768 /nfs/dbraw/zinc/40/57/68/608405768.db2.gz XYUSRYNUFWFPIK-AWEZNQCLSA-N -1 1 380.412 1.178 20 0 GDADMM O=C(NC[C@@H]1CCCO1)c1cccc(CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826435802 608405771 /nfs/dbraw/zinc/40/57/71/608405771.db2.gz XYUSRYNUFWFPIK-AWEZNQCLSA-N -1 1 380.412 1.178 20 0 GDADMM Cc1cc(NC(=O)CNc2ccc(-c3nnn[n-]3)nn2)ccc1Br ZINC000826269984 608408362 /nfs/dbraw/zinc/40/83/62/608408362.db2.gz GCAJVNRRWYYVDK-UHFFFAOYSA-N -1 1 389.217 1.778 20 0 GDADMM Cc1cc(NC(=O)CNc2ccc(-c3nn[n-]n3)nn2)ccc1Br ZINC000826269984 608408364 /nfs/dbraw/zinc/40/83/64/608408364.db2.gz GCAJVNRRWYYVDK-UHFFFAOYSA-N -1 1 389.217 1.778 20 0 GDADMM CN(Cc1cc2c(cc1OC(F)F)OCO2)c1ccc(-c2nnn[n-]2)nn1 ZINC000825953913 608423140 /nfs/dbraw/zinc/42/31/40/608423140.db2.gz RKDZDWWOMPWMMN-UHFFFAOYSA-N -1 1 377.311 1.623 20 0 GDADMM CN(Cc1cc2c(cc1OC(F)F)OCO2)c1ccc(-c2nn[n-]n2)nn1 ZINC000825953913 608423141 /nfs/dbraw/zinc/42/31/41/608423141.db2.gz RKDZDWWOMPWMMN-UHFFFAOYSA-N -1 1 377.311 1.623 20 0 GDADMM Cn1cnnc1[C@@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826365272 608446616 /nfs/dbraw/zinc/44/66/16/608446616.db2.gz HMGLJRYALLGSCN-JTQLQIEISA-N -1 1 394.848 1.174 20 0 GDADMM Cn1cnnc1[C@@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826365272 608446618 /nfs/dbraw/zinc/44/66/18/608446618.db2.gz HMGLJRYALLGSCN-JTQLQIEISA-N -1 1 394.848 1.174 20 0 GDADMM Cc1cccc(NC(=O)CN2CCN(Cc3ccc(-c4nnn[n-]4)o3)CC2)c1C ZINC000826299252 608505358 /nfs/dbraw/zinc/50/53/58/608505358.db2.gz XGSXZCJPYVNJFO-UHFFFAOYSA-N -1 1 395.467 1.833 20 0 GDADMM Cc1cccc(NC(=O)CN2CCN(Cc3ccc(-c4nn[n-]n4)o3)CC2)c1C ZINC000826299252 608505361 /nfs/dbraw/zinc/50/53/61/608505361.db2.gz XGSXZCJPYVNJFO-UHFFFAOYSA-N -1 1 395.467 1.833 20 0 GDADMM COc1ccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c(C)c1 ZINC000826209989 608549121 /nfs/dbraw/zinc/54/91/21/608549121.db2.gz ZPTFDBWGEBAGPT-UHFFFAOYSA-N -1 1 385.432 1.586 20 0 GDADMM COc1ccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c(C)c1 ZINC000826209989 608549122 /nfs/dbraw/zinc/54/91/22/608549122.db2.gz ZPTFDBWGEBAGPT-UHFFFAOYSA-N -1 1 385.432 1.586 20 0 GDADMM CSc1ccccc1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826231417 608549372 /nfs/dbraw/zinc/54/93/72/608549372.db2.gz KNEVCBVPVZQKJF-UHFFFAOYSA-N -1 1 387.473 1.990 20 0 GDADMM CSc1ccccc1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826231417 608549374 /nfs/dbraw/zinc/54/93/74/608549374.db2.gz KNEVCBVPVZQKJF-UHFFFAOYSA-N -1 1 387.473 1.990 20 0 GDADMM C[C@H](c1ccccc1)[C@](C)(O)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824772614 608556308 /nfs/dbraw/zinc/55/63/08/608556308.db2.gz VSVZSKMXQOAPQF-BLVKFPJESA-N -1 1 398.471 1.118 20 0 GDADMM C[C@H](c1ccccc1)[C@](C)(O)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824772614 608556310 /nfs/dbraw/zinc/55/63/10/608556310.db2.gz VSVZSKMXQOAPQF-BLVKFPJESA-N -1 1 398.471 1.118 20 0 GDADMM CCOc1cc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)ccc1C ZINC000825615799 608556348 /nfs/dbraw/zinc/55/63/48/608556348.db2.gz LAWSWAQTGSLKEH-UHFFFAOYSA-N -1 1 384.444 1.584 20 0 GDADMM CCOc1cc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)ccc1C ZINC000825615799 608556349 /nfs/dbraw/zinc/55/63/49/608556349.db2.gz LAWSWAQTGSLKEH-UHFFFAOYSA-N -1 1 384.444 1.584 20 0 GDADMM CC[C@@H](Oc1cccc(C)c1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825154070 608557917 /nfs/dbraw/zinc/55/79/17/608557917.db2.gz LBEKAWSFQISNJC-OAHLLOKOSA-N -1 1 398.471 1.729 20 0 GDADMM CC[C@@H](Oc1cccc(C)c1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825154070 608557919 /nfs/dbraw/zinc/55/79/19/608557919.db2.gz LBEKAWSFQISNJC-OAHLLOKOSA-N -1 1 398.471 1.729 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCc2ccccc2[C@@H]1CO ZINC000826495534 608566277 /nfs/dbraw/zinc/56/62/77/608566277.db2.gz SQGMTUVBVJTQLQ-INIZCTEOSA-N -1 1 389.412 1.286 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCC(C)(C)c2ccncc2)cc1-c1nn[n-]n1 ZINC000826229509 608590627 /nfs/dbraw/zinc/59/06/27/608590627.db2.gz HMWPWHMGQGFAJW-UHFFFAOYSA-N -1 1 385.453 1.792 20 0 GDADMM COc1ccc(F)cc1NC(=O)NCCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826208826 608609060 /nfs/dbraw/zinc/60/90/60/608609060.db2.gz BLJZOSLVWLFPGY-UHFFFAOYSA-N -1 1 375.368 1.074 20 0 GDADMM COc1ccc(F)cc1NC(=O)NCCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826208826 608609061 /nfs/dbraw/zinc/60/90/61/608609061.db2.gz BLJZOSLVWLFPGY-UHFFFAOYSA-N -1 1 375.368 1.074 20 0 GDADMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000826425023 608893842 /nfs/dbraw/zinc/89/38/42/608893842.db2.gz MWZGWEHLSRGERQ-UHFFFAOYSA-N -1 1 384.400 1.888 20 0 GDADMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000826425023 608893845 /nfs/dbraw/zinc/89/38/45/608893845.db2.gz MWZGWEHLSRGERQ-UHFFFAOYSA-N -1 1 384.400 1.888 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)Nc2cccc3c2OCCC3=O)cc1-c1nn[n-]n1 ZINC000826229946 609177546 /nfs/dbraw/zinc/17/75/46/609177546.db2.gz XOESYVBRCFCVCS-UHFFFAOYSA-N -1 1 398.404 1.907 20 0 GDADMM Cc1nc(SCCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)[n-]c(=O)c1C ZINC000826327718 609182287 /nfs/dbraw/zinc/18/22/87/609182287.db2.gz RQYSAYJQKQEENK-UHFFFAOYSA-N -1 1 392.466 1.545 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CCC[C@H]2C2CCOCC2)cc1-c1nn[n-]n1 ZINC000826229866 609267354 /nfs/dbraw/zinc/26/73/54/609267354.db2.gz USZLIVDFOIVIFZ-ZDUSSCGKSA-N -1 1 390.469 1.720 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CCC[C@@H]2C2CCOCC2)cc1-c1nn[n-]n1 ZINC000826229865 609267619 /nfs/dbraw/zinc/26/76/19/609267619.db2.gz USZLIVDFOIVIFZ-CYBMUJFWSA-N -1 1 390.469 1.720 20 0 GDADMM C[C@H]1CCCN(C(=O)CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1 ZINC000824936865 609280240 /nfs/dbraw/zinc/28/02/40/609280240.db2.gz MOWVZTYLUZPGQH-LBPRGKRZSA-N -1 1 384.419 1.862 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000826472382 609285219 /nfs/dbraw/zinc/28/52/19/609285219.db2.gz IZUDXMGJGAZHBI-UHFFFAOYSA-N -1 1 390.382 1.785 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000826472382 609285220 /nfs/dbraw/zinc/28/52/20/609285220.db2.gz IZUDXMGJGAZHBI-UHFFFAOYSA-N -1 1 390.382 1.785 20 0 GDADMM C[C@H]1CCCC[C@@H]1CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824938147 609300119 /nfs/dbraw/zinc/30/01/19/609300119.db2.gz UACUQYQQQNRFKT-NWDGAFQWSA-N -1 1 375.481 1.572 20 0 GDADMM C[C@H]1CCCC[C@@H]1CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824938147 609300121 /nfs/dbraw/zinc/30/01/21/609300121.db2.gz UACUQYQQQNRFKT-NWDGAFQWSA-N -1 1 375.481 1.572 20 0 GDADMM CC(C)[C@H]1CCC[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1 ZINC000824216144 609301288 /nfs/dbraw/zinc/30/12/88/609301288.db2.gz OHGPPSGVNSLXTP-QWHCGFSZSA-N -1 1 389.508 1.961 20 0 GDADMM CC(C)[C@H]1CCC[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C1 ZINC000824216144 609301289 /nfs/dbraw/zinc/30/12/89/609301289.db2.gz OHGPPSGVNSLXTP-QWHCGFSZSA-N -1 1 389.508 1.961 20 0 GDADMM C[C@@H]1CCC[C@@H](CCNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1 ZINC000824925027 609302101 /nfs/dbraw/zinc/30/21/01/609302101.db2.gz AHQMYPZGNVFKMP-OLZOCXBDSA-N -1 1 389.508 1.962 20 0 GDADMM C[C@@H]1CCC[C@@H](CCNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C1 ZINC000824925027 609302103 /nfs/dbraw/zinc/30/21/03/609302103.db2.gz AHQMYPZGNVFKMP-OLZOCXBDSA-N -1 1 389.508 1.962 20 0 GDADMM COC[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccccc1 ZINC000826151371 609303021 /nfs/dbraw/zinc/30/30/21/609303021.db2.gz ZTEVQOGPBFSZJZ-CQSZACIVSA-N -1 1 399.459 1.134 20 0 GDADMM COC[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccccc1 ZINC000826151371 609303022 /nfs/dbraw/zinc/30/30/22/609303022.db2.gz ZTEVQOGPBFSZJZ-CQSZACIVSA-N -1 1 399.459 1.134 20 0 GDADMM Cc1ccc2c(c1)[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)CC2 ZINC000826294386 609303248 /nfs/dbraw/zinc/30/32/48/609303248.db2.gz QBRYWZJSSQDKSR-CQSZACIVSA-N -1 1 395.471 1.742 20 0 GDADMM Cc1ccc2c(c1)[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)CC2 ZINC000826294386 609303250 /nfs/dbraw/zinc/30/32/50/609303250.db2.gz QBRYWZJSSQDKSR-CQSZACIVSA-N -1 1 395.471 1.742 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NC1CCC(F)(F)CC1 ZINC000825929121 609310112 /nfs/dbraw/zinc/31/01/12/609310112.db2.gz AUGCXFHGGJYSNS-UHFFFAOYSA-N -1 1 383.407 1.324 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NC1CCC(F)(F)CC1 ZINC000825929121 609310114 /nfs/dbraw/zinc/31/01/14/609310114.db2.gz AUGCXFHGGJYSNS-UHFFFAOYSA-N -1 1 383.407 1.324 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CCC[C@@H](OC(F)F)C2)cc1-c1nn[n-]n1 ZINC000826229943 609320252 /nfs/dbraw/zinc/32/02/52/609320252.db2.gz XLTGKJBIGOAMHU-SSDOTTSWSA-N -1 1 386.384 1.533 20 0 GDADMM O=C(NC[C@@H]1CCCOC1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826435482 609357203 /nfs/dbraw/zinc/35/72/03/609357203.db2.gz PITHDNKQWGYESD-NSHDSACASA-N -1 1 386.391 1.740 20 0 GDADMM C[C@@]1(NC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CCCOC1 ZINC000824828994 609357711 /nfs/dbraw/zinc/35/77/11/609357711.db2.gz BYOZERPROXREAX-QGZVFWFLSA-N -1 1 386.391 1.882 20 0 GDADMM C[C@]1(O)CCCN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1 ZINC000824838049 609360717 /nfs/dbraw/zinc/36/07/17/609360717.db2.gz LYUNYIPQUOMINU-KRWDZBQOSA-N -1 1 386.391 1.570 20 0 GDADMM CC[C@@](C)(CCO)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825044982 609362976 /nfs/dbraw/zinc/36/29/76/609362976.db2.gz XCACRJAGYLIZAP-KRWDZBQOSA-N -1 1 388.407 1.864 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC2CCC(c3ccc(F)cc3)CC2)n(C)c1=O ZINC000826355516 609387569 /nfs/dbraw/zinc/38/75/69/609387569.db2.gz CZAXDAZPPKKNHO-UHFFFAOYSA-N -1 1 399.430 1.542 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H](O)[C@@H](O)c1nc2ccccc2s1 ZINC000826450898 609467900 /nfs/dbraw/zinc/46/79/00/609467900.db2.gz IGDUDBMGUBRAOS-UONOGXRCSA-N -1 1 398.404 1.215 20 0 GDADMM CC(C)c1nc([C@H]2COCCN2C(=O)c2ccc(-c3nnn[n-]3)s2)no1 ZINC000824358717 609502259 /nfs/dbraw/zinc/50/22/59/609502259.db2.gz OUFNIRRCRYQHKU-SECBINFHSA-N -1 1 375.414 1.648 20 0 GDADMM CC(C)c1nc([C@H]2COCCN2C(=O)c2ccc(-c3nn[n-]n3)s2)no1 ZINC000824358717 609502260 /nfs/dbraw/zinc/50/22/60/609502260.db2.gz OUFNIRRCRYQHKU-SECBINFHSA-N -1 1 375.414 1.648 20 0 GDADMM CN1C(=O)CC[C@H]1C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000826010988 609502402 /nfs/dbraw/zinc/50/24/02/609502402.db2.gz SRAMTRRVEZPCKA-ZDUSSCGKSA-N -1 1 382.449 1.832 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@@H]21 ZINC000824109666 609601960 /nfs/dbraw/zinc/60/19/60/609601960.db2.gz VJQJPRLCYHFACD-RWMBFGLXSA-N -1 1 386.460 1.786 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@@H]21 ZINC000824109666 609601964 /nfs/dbraw/zinc/60/19/64/609601964.db2.gz VJQJPRLCYHFACD-RWMBFGLXSA-N -1 1 386.460 1.786 20 0 GDADMM CC[C@@H]1C[C@@H](C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CCO1 ZINC000825184575 609624269 /nfs/dbraw/zinc/62/42/69/609624269.db2.gz WIOKFRMWSQMVRM-NWDGAFQWSA-N -1 1 377.401 1.763 20 0 GDADMM COC(=O)c1nscc1S(=O)(=O)[N-]C1(C(=O)OC(C)(C)C)CCCC1 ZINC000533093708 650041330 /nfs/dbraw/zinc/04/13/30/650041330.db2.gz RPFVDJKSWRQBFN-UHFFFAOYSA-N -1 1 390.483 1.863 20 0 GDADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@H]2C[C@@H]2C)c(OC)c1 ZINC000534144141 650219301 /nfs/dbraw/zinc/21/93/01/650219301.db2.gz ATEHWMWCYYKQOX-NWDGAFQWSA-N -1 1 376.500 1.781 20 0 GDADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(OC)c(Br)cn2)co1 ZINC000534998269 650237681 /nfs/dbraw/zinc/23/76/81/650237681.db2.gz OPHWZOSUTNSAQP-UHFFFAOYSA-N -1 1 390.215 1.606 20 0 GDADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](C)CCCO)c(OC)c1 ZINC000536411738 650270586 /nfs/dbraw/zinc/27/05/86/650270586.db2.gz IVZNVFZMRCQNTM-GFCCVEGCSA-N -1 1 394.515 1.286 20 0 GDADMM O=C1NC(=O)[C@@H](Cc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2)N1 ZINC000536702836 650278395 /nfs/dbraw/zinc/27/83/95/650278395.db2.gz MHNLWLKEOLJOOL-CQSZACIVSA-N -1 1 379.825 1.891 20 0 GDADMM CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)o1 ZINC000538047600 650304110 /nfs/dbraw/zinc/30/41/10/650304110.db2.gz JKMFALMDLQJIRV-UHFFFAOYSA-N -1 1 390.414 1.587 20 0 GDADMM COC(=O)[C@H]([N-]S(=O)(=O)Cc1ccon1)c1ccc(OC(F)F)cc1 ZINC000538120740 650305956 /nfs/dbraw/zinc/30/59/56/650305956.db2.gz KYCBKKREFOPZIQ-GFCCVEGCSA-N -1 1 376.337 1.610 20 0 GDADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2coc(-c3cccs3)n2)c1 ZINC000538951680 650326342 /nfs/dbraw/zinc/32/63/42/650326342.db2.gz MXALXPAMAZOZLQ-UHFFFAOYSA-N -1 1 379.419 1.937 20 0 GDADMM Cc1cc([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)ccc1OCCO ZINC000541126009 650378482 /nfs/dbraw/zinc/37/84/82/650378482.db2.gz SRZADGHSRRHBBS-UHFFFAOYSA-N -1 1 385.463 1.570 20 0 GDADMM Cc1nnc([N-]C(=O)c2sccc2S(=O)(=O)NCc2ccco2)n1C ZINC000542441027 650404943 /nfs/dbraw/zinc/40/49/43/650404943.db2.gz XDLFDWGPWQLCRM-UHFFFAOYSA-N -1 1 381.439 1.509 20 0 GDADMM CCOC(=O)CN(Cc1nc(=O)n(C)[n-]1)[C@H](C)c1cccc(Br)c1 ZINC000544400144 650439271 /nfs/dbraw/zinc/43/92/71/650439271.db2.gz VZVPINCTBGBNLG-LLVKDONJSA-N -1 1 397.273 1.997 20 0 GDADMM CCS(=O)(=O)N1CCC(C[N-]S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000544648684 650442634 /nfs/dbraw/zinc/44/26/34/650442634.db2.gz COODSTREPAJFHF-UHFFFAOYSA-N -1 1 382.454 1.305 20 0 GDADMM COCCOC[C@@H](C)NC(=O)c1ccc(I)c([O-])c1 ZINC000544869828 650447340 /nfs/dbraw/zinc/44/73/40/650447340.db2.gz XUJUYAWMSUYFJL-SECBINFHSA-N -1 1 379.194 1.778 20 0 GDADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CCO[C@H](C3CC3)C2)c(F)c1 ZINC000545202319 650451540 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/nfs/dbraw/zinc/44/60/09/945446009.db2.gz BFYFKCGCDICMDC-LLVKDONJSA-N -1 1 385.457 1.528 20 0 GDADMM Cc1ncc(C(=O)N2CCCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)s1 ZINC001571262885 945446015 /nfs/dbraw/zinc/44/60/15/945446015.db2.gz BFYFKCGCDICMDC-LLVKDONJSA-N -1 1 385.457 1.528 20 0 GDADMM Cc1nscc1C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001571262974 945447813 /nfs/dbraw/zinc/44/78/13/945447813.db2.gz DPEGMTFCUDCMAZ-PWSUYJOCSA-N -1 1 385.457 1.209 20 0 GDADMM Cc1nscc1C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001571262974 945447816 /nfs/dbraw/zinc/44/78/16/945447816.db2.gz DPEGMTFCUDCMAZ-PWSUYJOCSA-N -1 1 385.457 1.209 20 0 GDADMM Cc1nc(C)c(C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)s1 ZINC001571263187 945451761 /nfs/dbraw/zinc/45/17/61/945451761.db2.gz JQJQUHHHPZCOKT-NSHDSACASA-N -1 1 385.457 1.129 20 0 GDADMM Cc1nc(C)c(C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)s1 ZINC001571263187 945451768 /nfs/dbraw/zinc/45/17/68/945451768.db2.gz JQJQUHHHPZCOKT-NSHDSACASA-N -1 1 385.457 1.129 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H]([C@H](C)Nc3nccnc3-c3nnn[n-]3)C2)ns1 ZINC001571263692 945465775 /nfs/dbraw/zinc/46/57/75/945465775.db2.gz WWNRRVJCJUCSEK-WDEREUQCSA-N -1 1 385.457 1.384 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H]([C@H](C)Nc3nccnc3-c3nn[n-]n3)C2)ns1 ZINC001571263692 945465784 /nfs/dbraw/zinc/46/57/84/945465784.db2.gz WWNRRVJCJUCSEK-WDEREUQCSA-N -1 1 385.457 1.384 20 0 GDADMM C[C@H]1CN(C(=O)c2cncc(Cl)c2)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571265540 945514796 /nfs/dbraw/zinc/51/47/96/945514796.db2.gz LIPCSGPDTBMJPJ-ZANVPECISA-N -1 1 385.819 1.278 20 0 GDADMM C[C@H]1CN(C(=O)c2cncc(Cl)c2)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571265540 945514802 /nfs/dbraw/zinc/51/48/02/945514802.db2.gz LIPCSGPDTBMJPJ-ZANVPECISA-N -1 1 385.819 1.278 20 0 GDADMM CC(C)(O)CC(=O)N1CCC[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571265709 945518806 /nfs/dbraw/zinc/51/88/06/945518806.db2.gz OZPFXUDEYHFIAH-MRVPVSSYSA-N -1 1 385.881 1.541 20 0 GDADMM O=C(c1cncc(Cl)c1)N1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571265831 945521783 /nfs/dbraw/zinc/52/17/83/945521783.db2.gz QCSVBGYXACOUJW-LBPRGKRZSA-N -1 1 385.819 1.422 20 0 GDADMM O=C(c1cncc(Cl)c1)N1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571265831 945521787 /nfs/dbraw/zinc/52/17/87/945521787.db2.gz QCSVBGYXACOUJW-LBPRGKRZSA-N -1 1 385.819 1.422 20 0 GDADMM CN(C(=O)c1cncc(Cl)c1)C1CC(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571265895 945525153 /nfs/dbraw/zinc/52/51/53/945525153.db2.gz SEATXUAYJWBHEK-UHFFFAOYSA-N -1 1 385.819 1.420 20 0 GDADMM CN(C(=O)c1cncc(Cl)c1)C1CC(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571265895 945525160 /nfs/dbraw/zinc/52/51/60/945525160.db2.gz SEATXUAYJWBHEK-UHFFFAOYSA-N -1 1 385.819 1.420 20 0 GDADMM CCC(=O)N1CCC(N(CCO)c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC001571265901 945525175 /nfs/dbraw/zinc/52/51/75/945525175.db2.gz SNVXVGIPKNTTEI-UHFFFAOYSA-N -1 1 385.881 1.176 20 0 GDADMM CCC(=O)N1CCC(N(CCO)c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC001571265901 945525179 /nfs/dbraw/zinc/52/51/79/945525179.db2.gz SNVXVGIPKNTTEI-UHFFFAOYSA-N -1 1 385.881 1.176 20 0 GDADMM COCC(=O)N1CC[C@H](CNc2nc(-c3nn[n-]n3)c(Cl)s2)[C@H](C)C1 ZINC001571266227 945534041 /nfs/dbraw/zinc/53/40/41/945534041.db2.gz YEFJPUABRJYOKI-RKDXNWHRSA-N -1 1 385.881 1.520 20 0 GDADMM C[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)c1c(F)cccc1F ZINC001571266885 945555931 /nfs/dbraw/zinc/55/59/31/945555931.db2.gz BEPIGELESMVSNF-BXKDBHETSA-N -1 1 386.366 1.190 20 0 GDADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(F)c(F)c1 ZINC001571267019 945559965 /nfs/dbraw/zinc/55/99/65/945559965.db2.gz GFSGXWKZNUQUFC-TVQRCGJNSA-N -1 1 386.366 1.072 20 0 GDADMM CC(C)(F)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1nccnc1-c1nnn[n-]1 ZINC001571268391 945594035 /nfs/dbraw/zinc/59/40/35/945594035.db2.gz FQUMYKXMMLZYBI-LOWDOPEQSA-N -1 1 386.435 1.078 20 0 GDADMM CC(C)(F)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1nccnc1-c1nn[n-]n1 ZINC001571268391 945594045 /nfs/dbraw/zinc/59/40/45/945594045.db2.gz FQUMYKXMMLZYBI-LOWDOPEQSA-N -1 1 386.435 1.078 20 0 GDADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)c1ccc(F)s1 ZINC001571269442 945620981 /nfs/dbraw/zinc/62/09/81/945620981.db2.gz YMIWLNONBYRCKQ-KKZNHRDASA-N -1 1 386.416 1.397 20 0 GDADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)c1ccc(F)s1 ZINC001571269442 945620984 /nfs/dbraw/zinc/62/09/84/945620984.db2.gz YMIWLNONBYRCKQ-KKZNHRDASA-N -1 1 386.416 1.397 20 0 GDADMM Cc1nsc(N[C@H]2CCN(C(=O)Cc3ccc[nH]3)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571271590 945647020 /nfs/dbraw/zinc/64/70/20/945647020.db2.gz FGDIRLNGQYXNCF-MFKMUULPSA-N -1 1 386.485 1.851 20 0 GDADMM Cc1ccn(C)c1C(=O)N1CC[C@@H](N(C)c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571271961 945653907 /nfs/dbraw/zinc/65/39/07/945653907.db2.gz NCOQWIJCNWEYRD-GFCCVEGCSA-N -1 1 386.485 1.629 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)C[C@H]1CCCCO1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571272179 945656794 /nfs/dbraw/zinc/65/67/94/945656794.db2.gz ADXBZKIHUXKCGM-ZIAGYGMSSA-N -1 1 386.460 1.043 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)C[C@H]1CCCCO1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571272179 945656797 /nfs/dbraw/zinc/65/67/97/945656797.db2.gz ADXBZKIHUXKCGM-ZIAGYGMSSA-N -1 1 386.460 1.043 20 0 GDADMM O=C(CC[C@@H]1CCCO1)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571272260 945657999 /nfs/dbraw/zinc/65/79/99/945657999.db2.gz BXESJGRDUCBTIF-KBPBESRZSA-N -1 1 386.460 1.409 20 0 GDADMM O=C(CC[C@@H]1CCCO1)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571272260 945658007 /nfs/dbraw/zinc/65/80/07/945658007.db2.gz BXESJGRDUCBTIF-KBPBESRZSA-N -1 1 386.460 1.409 20 0 GDADMM O=C(CC[C@H]1CCCO1)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571272261 945658383 /nfs/dbraw/zinc/65/83/83/945658383.db2.gz BXESJGRDUCBTIF-UONOGXRCSA-N -1 1 386.460 1.409 20 0 GDADMM O=C(CC[C@H]1CCCO1)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571272261 945658390 /nfs/dbraw/zinc/65/83/90/945658390.db2.gz BXESJGRDUCBTIF-UONOGXRCSA-N -1 1 386.460 1.409 20 0 GDADMM CCOC(=O)[C@@H](CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)Cc1ccccc1 ZINC000821321468 945669763 /nfs/dbraw/zinc/66/97/63/945669763.db2.gz XURXTNSCWKRWGC-CYBMUJFWSA-N -1 1 398.427 1.144 20 0 GDADMM CCOC(=O)[C@@H](CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)Cc1ccccc1 ZINC000821321468 945669776 /nfs/dbraw/zinc/66/97/76/945669776.db2.gz XURXTNSCWKRWGC-CYBMUJFWSA-N -1 1 398.427 1.144 20 0 GDADMM CCc1nc(NC[C@@H]2CN(C(=O)CCC3CC3)CCO2)cc(-c2nnn[n-]2)n1 ZINC001571273038 945677593 /nfs/dbraw/zinc/67/75/93/945677593.db2.gz NROLLUBCBRSWLT-CYBMUJFWSA-N -1 1 386.460 1.049 20 0 GDADMM CCc1nc(NC[C@@H]2CN(C(=O)CCC3CC3)CCO2)cc(-c2nn[n-]n2)n1 ZINC001571273038 945677600 /nfs/dbraw/zinc/67/76/00/945677600.db2.gz NROLLUBCBRSWLT-CYBMUJFWSA-N -1 1 386.460 1.049 20 0 GDADMM O=C(CCC1CCOCC1)N1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571273000 945677755 /nfs/dbraw/zinc/67/77/55/945677755.db2.gz MOSPREOEKYNVOE-AWEZNQCLSA-N -1 1 386.460 1.266 20 0 GDADMM O=C(CCC1CCOCC1)N1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571273000 945677759 /nfs/dbraw/zinc/67/77/59/945677759.db2.gz MOSPREOEKYNVOE-AWEZNQCLSA-N -1 1 386.460 1.266 20 0 GDADMM O=C(N[C@@H]1CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1)C1CCOCC1 ZINC001571273508 945689816 /nfs/dbraw/zinc/68/98/16/945689816.db2.gz YTLBBRBWLGYHOX-UONOGXRCSA-N -1 1 386.460 1.170 20 0 GDADMM O=C(N[C@@H]1CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1)C1CCOCC1 ZINC001571273508 945689824 /nfs/dbraw/zinc/68/98/24/945689824.db2.gz YTLBBRBWLGYHOX-UONOGXRCSA-N -1 1 386.460 1.170 20 0 GDADMM CC1(C)CC[C@H](CC(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)OC1 ZINC001571276557 945731603 /nfs/dbraw/zinc/73/16/03/945731603.db2.gz IMGPVGCPKAEVBL-CHWSQXEVSA-N -1 1 386.460 1.265 20 0 GDADMM CC1(C)CC[C@H](CC(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)OC1 ZINC001571276557 945731607 /nfs/dbraw/zinc/73/16/07/945731607.db2.gz IMGPVGCPKAEVBL-CHWSQXEVSA-N -1 1 386.460 1.265 20 0 GDADMM Cc1cc(C(=O)NC[C@H]2CCCN(c3snc(C)c3-c3nn[n-]n3)C2)[nH]n1 ZINC001571280982 945795049 /nfs/dbraw/zinc/79/50/49/945795049.db2.gz BEUKNFWBEORETB-LLVKDONJSA-N -1 1 387.473 1.310 20 0 GDADMM Cc1ccoc1CC(=O)N[C@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571281138 945797573 /nfs/dbraw/zinc/79/75/73/945797573.db2.gz CRDAMSORHKNRJO-LBPRGKRZSA-N -1 1 387.469 1.861 20 0 GDADMM Cc1nsc(N2CCC[C@H](CNC(=O)c3cn(C)cn3)C2)c1-c1nn[n-]n1 ZINC001571281204 945800410 /nfs/dbraw/zinc/80/04/10/945800410.db2.gz FGQMYXHBVAKBMP-LLVKDONJSA-N -1 1 387.473 1.012 20 0 GDADMM Cc1oc(C(C)C)nc1C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571281608 945806111 /nfs/dbraw/zinc/80/61/11/945806111.db2.gz JWCOFCUEOCQIMH-UHFFFAOYSA-N -1 1 387.469 1.962 20 0 GDADMM COCCN(CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])C(=O)OC(C)(C)C ZINC000821689216 945817354 /nfs/dbraw/zinc/81/73/54/945817354.db2.gz QAJJXBWHWABZHD-UHFFFAOYSA-N -1 1 392.416 1.394 20 0 GDADMM CC(=O)NC(=Cc1cccs1)C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001573452383 945849519 /nfs/dbraw/zinc/84/95/19/945849519.db2.gz DNAMJPQLNFGLFQ-BJMVGYQFSA-N -1 1 375.439 1.178 20 0 GDADMM CC(=O)NC(=Cc1cccs1)C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001573452383 945849531 /nfs/dbraw/zinc/84/95/31/945849531.db2.gz DNAMJPQLNFGLFQ-BJMVGYQFSA-N -1 1 375.439 1.178 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(Cl)[nH]2)CC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571283940 945892581 /nfs/dbraw/zinc/89/25/81/945892581.db2.gz LJMRDXGJHWXRMN-VHSXEESVSA-N -1 1 387.835 1.601 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(Cl)[nH]2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571283940 945892595 /nfs/dbraw/zinc/89/25/95/945892595.db2.gz LJMRDXGJHWXRMN-VHSXEESVSA-N -1 1 387.835 1.601 20 0 GDADMM Cn1cc(Cl)cc1C(=O)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571285457 945917420 /nfs/dbraw/zinc/91/74/20/945917420.db2.gz FETVZBAORYLOGY-UHFFFAOYSA-N -1 1 387.835 1.365 20 0 GDADMM Cn1cc(Cl)cc1C(=O)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571285457 945917429 /nfs/dbraw/zinc/91/74/29/945917429.db2.gz FETVZBAORYLOGY-UHFFFAOYSA-N -1 1 387.835 1.365 20 0 GDADMM O=C(N[C@@H]1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)c1cc(Cl)c[nH]1 ZINC001571286037 945934989 /nfs/dbraw/zinc/93/49/89/945934989.db2.gz VOTXCVBVHYBBDY-MWLCHTKSSA-N -1 1 387.835 1.649 20 0 GDADMM O=C(N[C@@H]1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)c1cc(Cl)c[nH]1 ZINC001571286037 945934996 /nfs/dbraw/zinc/93/49/96/945934996.db2.gz VOTXCVBVHYBBDY-MWLCHTKSSA-N -1 1 387.835 1.649 20 0 GDADMM CC1(NC(=O)c2ccc(F)s2)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571286477 945947875 /nfs/dbraw/zinc/94/78/75/945947875.db2.gz IZMMSIOOLXAJAW-UHFFFAOYSA-N -1 1 388.432 1.646 20 0 GDADMM Cc1nsc(NC(=O)N[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)c1-c1nnn[n-]1 ZINC001571287011 945965079 /nfs/dbraw/zinc/96/50/79/945965079.db2.gz XXQFRWXXGAWPGM-SKDRFNHKSA-N -1 1 388.413 1.384 20 0 GDADMM Cc1nsc(NC(=O)N[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)c1-c1nn[n-]n1 ZINC001571287011 945965083 /nfs/dbraw/zinc/96/50/83/945965083.db2.gz XXQFRWXXGAWPGM-SKDRFNHKSA-N -1 1 388.413 1.384 20 0 GDADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1cccc(-n2ccnn2)c1 ZINC000822223640 946000658 /nfs/dbraw/zinc/00/06/58/946000658.db2.gz FKJLCIPODULJOY-UHFFFAOYSA-N -1 1 382.409 1.557 20 0 GDADMM CO[C@H](C(=O)N1CCC[C@@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1)C(C)C ZINC001571289987 946025103 /nfs/dbraw/zinc/02/51/03/946025103.db2.gz RXAPXIAWMQAIHW-BBRMVZONSA-N -1 1 388.476 1.003 20 0 GDADMM CO[C@H](C(=O)N1CCC[C@@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1)C(C)C ZINC001571289987 946025115 /nfs/dbraw/zinc/02/51/15/946025115.db2.gz RXAPXIAWMQAIHW-BBRMVZONSA-N -1 1 388.476 1.003 20 0 GDADMM Cc1ccc(N2CCC[C@@H](OC(=O)c3ccc(-c4nnn[n-]4)nc3)C2=O)cc1 ZINC000822242488 946028725 /nfs/dbraw/zinc/02/87/25/946028725.db2.gz MPUPAFICSDKGCW-MRXNPFEDSA-N -1 1 378.392 1.923 20 0 GDADMM Cc1ccc(N2CCC[C@@H](OC(=O)c3ccc(-c4nn[n-]n4)nc3)C2=O)cc1 ZINC000822242488 946028738 /nfs/dbraw/zinc/02/87/38/946028738.db2.gz MPUPAFICSDKGCW-MRXNPFEDSA-N -1 1 378.392 1.923 20 0 GDADMM O=C(c1ccc(F)cc1Cl)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571290482 946044924 /nfs/dbraw/zinc/04/49/24/946044924.db2.gz GHOJOCMZSMBUFK-SNVBAGLBSA-N -1 1 388.794 1.776 20 0 GDADMM O=C(c1ccc(F)cc1Cl)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571290482 946044936 /nfs/dbraw/zinc/04/49/36/946044936.db2.gz GHOJOCMZSMBUFK-SNVBAGLBSA-N -1 1 388.794 1.776 20 0 GDADMM COC(=O)C1(CNC(=O)Nc2cnc(OC)c(-c3nn[n-]n3)c2)CCCCC1 ZINC001571292463 946096521 /nfs/dbraw/zinc/09/65/21/946096521.db2.gz ZVHVVAXRAOWXHQ-UHFFFAOYSA-N -1 1 389.416 1.515 20 0 GDADMM Cc1nsc(N[C@H](C)[C@@H]2CN(C(=O)c3ccco3)CCO2)c1-c1nn[n-]n1 ZINC001571293481 946105302 /nfs/dbraw/zinc/10/53/02/946105302.db2.gz JHVCLRSMOWWTKP-SKDRFNHKSA-N -1 1 389.441 1.566 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC(Oc3ccc(F)cc3)CC2)n1 ZINC000822609583 946138477 /nfs/dbraw/zinc/13/84/77/946138477.db2.gz QRUARUVRPRZYHX-UHFFFAOYSA-N -1 1 386.391 1.815 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC(Oc3ccc(F)cc3)CC2)n1 ZINC000822609583 946138486 /nfs/dbraw/zinc/13/84/86/946138486.db2.gz QRUARUVRPRZYHX-UHFFFAOYSA-N -1 1 386.391 1.815 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)n1 ZINC000822614768 946139559 /nfs/dbraw/zinc/13/95/59/946139559.db2.gz RLZCMYSSYJOIGW-NSHDSACASA-N -1 1 396.333 1.474 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)n1 ZINC000822614768 946139564 /nfs/dbraw/zinc/13/95/64/946139564.db2.gz RLZCMYSSYJOIGW-NSHDSACASA-N -1 1 396.333 1.474 20 0 GDADMM O=C([C@H]1CCC1(F)F)N1CC[C@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571294755 946143618 /nfs/dbraw/zinc/14/36/18/946143618.db2.gz LZGYIOSLWSSHND-BZNIZROVSA-N -1 1 390.398 1.131 20 0 GDADMM O=C(NC1CCN(c2nccnc2-c2nnn[n-]2)CC1)c1ccc(C(F)F)o1 ZINC001571294848 946145069 /nfs/dbraw/zinc/14/50/69/946145069.db2.gz NMNOEPDJEFQJEX-UHFFFAOYSA-N -1 1 390.354 1.586 20 0 GDADMM O=C(NC1CCN(c2nccnc2-c2nn[n-]n2)CC1)c1ccc(C(F)F)o1 ZINC001571294848 946145075 /nfs/dbraw/zinc/14/50/75/946145075.db2.gz NMNOEPDJEFQJEX-UHFFFAOYSA-N -1 1 390.354 1.586 20 0 GDADMM O=C(NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCC1(F)F)C1=CCCC1 ZINC001571295316 946159560 /nfs/dbraw/zinc/15/95/60/946159560.db2.gz XRWQROJHCAGSTA-LBPRGKRZSA-N -1 1 390.398 1.345 20 0 GDADMM O=C(NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCC1(F)F)C1=CCCC1 ZINC001571295316 946159564 /nfs/dbraw/zinc/15/95/64/946159564.db2.gz XRWQROJHCAGSTA-LBPRGKRZSA-N -1 1 390.398 1.345 20 0 GDADMM Cc1nsc(NC[C@@H]2CN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)CCO2)c1-c1nn[n-]n1 ZINC001571295588 946169434 /nfs/dbraw/zinc/16/94/34/946169434.db2.gz YJHPTZVUWCOMDF-MROQNXINSA-N -1 1 389.485 1.317 20 0 GDADMM O=C(Cc1ccccc1)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571297888 946199813 /nfs/dbraw/zinc/19/98/13/946199813.db2.gz CCBUBSPLSWOLIM-CVEARBPZSA-N -1 1 390.451 1.469 20 0 GDADMM O=C(Cc1ccccc1)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571297888 946199824 /nfs/dbraw/zinc/19/98/24/946199824.db2.gz CCBUBSPLSWOLIM-CVEARBPZSA-N -1 1 390.451 1.469 20 0 GDADMM O=C(NC[C@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1)[C@H]1Cc2ccccc21 ZINC001571298286 946210471 /nfs/dbraw/zinc/21/04/71/946210471.db2.gz MKUOXVXJQVYQRK-ZBFHGGJFSA-N -1 1 390.451 1.472 20 0 GDADMM O=C(NC[C@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1)[C@H]1Cc2ccccc21 ZINC001571298286 946210483 /nfs/dbraw/zinc/21/04/83/946210483.db2.gz MKUOXVXJQVYQRK-ZBFHGGJFSA-N -1 1 390.451 1.472 20 0 GDADMM C[C@@H]1C(=O)Nc2ccccc2CN1S(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001571298375 946213282 /nfs/dbraw/zinc/21/32/82/946213282.db2.gz FVMANLHFWLYZGI-SECBINFHSA-N -1 1 390.450 1.460 20 0 GDADMM O=C(c1cscc1Cl)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571298644 946224907 /nfs/dbraw/zinc/22/49/07/946224907.db2.gz BULPVTIVYBXWAW-SECBINFHSA-N -1 1 390.860 1.510 20 0 GDADMM O=C(NC1CC2(C1)CC(Nc1cnc(-c3nnn[n-]3)cn1)C2)C1C=CC=CC=C1 ZINC001571298725 946226814 /nfs/dbraw/zinc/22/68/14/946226814.db2.gz PWDVUYVXNZGCPF-UHFFFAOYSA-N -1 1 390.451 1.794 20 0 GDADMM O=C(NC1CC2(C1)CC(Nc1cnc(-c3nn[n-]n3)cn1)C2)C1C=CC=CC=C1 ZINC001571298725 946226822 /nfs/dbraw/zinc/22/68/22/946226822.db2.gz PWDVUYVXNZGCPF-UHFFFAOYSA-N -1 1 390.451 1.794 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccsc2Cl)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571299093 946238807 /nfs/dbraw/zinc/23/88/07/946238807.db2.gz IOHPGBSUZXXGIF-KCJUWKMLSA-N -1 1 390.860 1.944 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccsc2Cl)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571299093 946238818 /nfs/dbraw/zinc/23/88/18/946238818.db2.gz IOHPGBSUZXXGIF-KCJUWKMLSA-N -1 1 390.860 1.944 20 0 GDADMM O=C(N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)C1(Cc2ccccc2)CC1 ZINC001571299121 946239875 /nfs/dbraw/zinc/23/98/75/946239875.db2.gz UNLXXBURZQWANM-HNNXBMFYSA-N -1 1 390.451 1.692 20 0 GDADMM O=C(N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)C1(Cc2ccccc2)CC1 ZINC001571299121 946239885 /nfs/dbraw/zinc/23/98/85/946239885.db2.gz UNLXXBURZQWANM-HNNXBMFYSA-N -1 1 390.451 1.692 20 0 GDADMM O=C(N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)C1Cc2ccccc2C1 ZINC001571299735 946260109 /nfs/dbraw/zinc/26/01/09/946260109.db2.gz ZVLLPOHIBJNVDV-MRXNPFEDSA-N -1 1 390.451 1.157 20 0 GDADMM O=C(N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)C1Cc2ccccc2C1 ZINC001571299735 946260123 /nfs/dbraw/zinc/26/01/23/946260123.db2.gz ZVLLPOHIBJNVDV-MRXNPFEDSA-N -1 1 390.451 1.157 20 0 GDADMM O=C(Cc1ccc[nH]1)N[C@@H]1[C@H]2CN(c3nc(Cl)c(-c4nnn[n-]4)s3)C[C@H]21 ZINC001571299704 946260357 /nfs/dbraw/zinc/26/03/57/946260357.db2.gz ORTIXOOCDJIVAU-JZYVYDRUSA-N -1 1 390.860 1.098 20 0 GDADMM O=C(Cc1ccc[nH]1)N[C@@H]1[C@H]2CN(c3nc(Cl)c(-c4nn[n-]n4)s3)C[C@H]21 ZINC001571299704 946260364 /nfs/dbraw/zinc/26/03/64/946260364.db2.gz ORTIXOOCDJIVAU-JZYVYDRUSA-N -1 1 390.860 1.098 20 0 GDADMM O=C(NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)c1sccc1Cl ZINC001571299877 946263947 /nfs/dbraw/zinc/26/39/47/946263947.db2.gz QBPLPLMWASOKKW-VIFPVBQESA-N -1 1 390.860 1.770 20 0 GDADMM O=C(NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)c1sccc1Cl ZINC001571299877 946263957 /nfs/dbraw/zinc/26/39/57/946263957.db2.gz QBPLPLMWASOKKW-VIFPVBQESA-N -1 1 390.860 1.770 20 0 GDADMM Cc1ccc(C)c(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cnc(-c3nnn[n-]3)cn2)c1 ZINC001571299837 946265645 /nfs/dbraw/zinc/26/56/45/946265645.db2.gz WJXOCVCTPHDJEN-GASCZTMLSA-N -1 1 390.451 1.767 20 0 GDADMM Cc1ccc(C)c(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cnc(-c3nn[n-]n3)cn2)c1 ZINC001571299837 946265655 /nfs/dbraw/zinc/26/56/55/946265655.db2.gz WJXOCVCTPHDJEN-GASCZTMLSA-N -1 1 390.451 1.767 20 0 GDADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@@H]1CCN(C(=O)c2ccc(C3CC3)cc2)C1 ZINC001571299978 946266711 /nfs/dbraw/zinc/26/67/11/946266711.db2.gz XBERKIOOUXNJRZ-MRXNPFEDSA-N -1 1 390.451 1.885 20 0 GDADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)c2ccc(C3CC3)cc2)C1 ZINC001571299978 946266722 /nfs/dbraw/zinc/26/67/22/946266722.db2.gz XBERKIOOUXNJRZ-MRXNPFEDSA-N -1 1 390.451 1.885 20 0 GDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC001571299904 946266860 /nfs/dbraw/zinc/26/68/60/946266860.db2.gz QTRIBSSOMAITDC-AWEZNQCLSA-N -1 1 390.806 1.837 20 0 GDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC001571299904 946266871 /nfs/dbraw/zinc/26/68/71/946266871.db2.gz QTRIBSSOMAITDC-AWEZNQCLSA-N -1 1 390.806 1.837 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)[C@H]3C[C@@H]3c3ccccc3)C2)n1 ZINC001571299982 946268990 /nfs/dbraw/zinc/26/89/90/946268990.db2.gz XGOGSSJUMQQEFB-XHSDSOJGSA-N -1 1 390.451 1.464 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)[C@H]3C[C@@H]3c3ccccc3)C2)n1 ZINC001571299982 946269003 /nfs/dbraw/zinc/26/90/03/946269003.db2.gz XGOGSSJUMQQEFB-XHSDSOJGSA-N -1 1 390.451 1.464 20 0 GDADMM Cc1ccncc1C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2 ZINC001571302631 946310515 /nfs/dbraw/zinc/31/05/15/946310515.db2.gz CZQMOPAXFTVUDC-GJZGRUSLSA-N -1 1 391.439 1.513 20 0 GDADMM Cc1ccncc1C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2 ZINC001571302631 946310528 /nfs/dbraw/zinc/31/05/28/946310528.db2.gz CZQMOPAXFTVUDC-GJZGRUSLSA-N -1 1 391.439 1.513 20 0 GDADMM Cc1ccncc1C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2 ZINC001571302630 946311246 /nfs/dbraw/zinc/31/12/46/946311246.db2.gz CZQMOPAXFTVUDC-CABCVRRESA-N -1 1 391.439 1.513 20 0 GDADMM Cc1ccncc1C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2 ZINC001571302630 946311260 /nfs/dbraw/zinc/31/12/60/946311260.db2.gz CZQMOPAXFTVUDC-CABCVRRESA-N -1 1 391.439 1.513 20 0 GDADMM Cc1cncc(C(=O)NC2CC3(C2)CC(Nc2cncc(-c4nnn[n-]4)n2)C3)c1 ZINC001571303386 946332937 /nfs/dbraw/zinc/33/29/37/946332937.db2.gz PSWTVSZDOKPCPC-UHFFFAOYSA-N -1 1 391.439 1.513 20 0 GDADMM Cc1cncc(C(=O)NC2CC3(C2)CC(Nc2cncc(-c4nn[n-]n4)n2)C3)c1 ZINC001571303386 946332947 /nfs/dbraw/zinc/33/29/47/946332947.db2.gz PSWTVSZDOKPCPC-UHFFFAOYSA-N -1 1 391.439 1.513 20 0 GDADMM CCc1ccnc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nnn[n-]3)cn2)c1 ZINC001571303526 946340566 /nfs/dbraw/zinc/34/05/66/946340566.db2.gz MYUVGSGJXVHLPK-WWGRRREGSA-N -1 1 391.439 1.154 20 0 GDADMM CCc1ccnc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nn[n-]n3)cn2)c1 ZINC001571303526 946340579 /nfs/dbraw/zinc/34/05/79/946340579.db2.gz MYUVGSGJXVHLPK-WWGRRREGSA-N -1 1 391.439 1.154 20 0 GDADMM O=C(c1ccc(C2CC2)cn1)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571303603 946342869 /nfs/dbraw/zinc/34/28/69/946342869.db2.gz UGAHIHXSAZPINI-CQSZACIVSA-N -1 1 391.439 1.646 20 0 GDADMM O=C(c1ccc(C2CC2)cn1)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571303603 946342881 /nfs/dbraw/zinc/34/28/81/946342881.db2.gz UGAHIHXSAZPINI-CQSZACIVSA-N -1 1 391.439 1.646 20 0 GDADMM C[C@H]1CN(C(=O)C2(c3cccnc3)CC2)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571304145 946360563 /nfs/dbraw/zinc/36/05/63/946360563.db2.gz YWNJDHQESPRWOK-WFASDCNBSA-N -1 1 391.439 1.042 20 0 GDADMM C[C@H]1CN(C(=O)C2(c3cccnc3)CC2)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571304145 946360576 /nfs/dbraw/zinc/36/05/76/946360576.db2.gz YWNJDHQESPRWOK-WFASDCNBSA-N -1 1 391.439 1.042 20 0 GDADMM O=C(NC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1csc(Cl)n1 ZINC001571305470 946363085 /nfs/dbraw/zinc/36/30/85/946363085.db2.gz CBXYQIAWUGZRNC-QMMMGPOBSA-N -1 1 391.848 1.023 20 0 GDADMM O=C(NC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1csc(Cl)n1 ZINC001571305470 946363097 /nfs/dbraw/zinc/36/30/97/946363097.db2.gz CBXYQIAWUGZRNC-QMMMGPOBSA-N -1 1 391.848 1.023 20 0 GDADMM Cc1cc(C(=O)N[C@H]2C[C@H](Nc3snc(Cl)c3-c3nnn[n-]3)C2)cnn1 ZINC001571305573 946366636 /nfs/dbraw/zinc/36/66/36/946366636.db2.gz FXHDZGUQXSRMET-KYZUINATSA-N -1 1 391.848 1.448 20 0 GDADMM Cc1cc(C(=O)N[C@H]2C[C@H](Nc3snc(Cl)c3-c3nn[n-]n3)C2)cnn1 ZINC001571305573 946366645 /nfs/dbraw/zinc/36/66/45/946366645.db2.gz FXHDZGUQXSRMET-KYZUINATSA-N -1 1 391.848 1.448 20 0 GDADMM Cc1nsc(NC[C@@H]2CC[C@H](NC(=O)C3CCOCC3)C2)c1-c1nn[n-]n1 ZINC001571305862 946378072 /nfs/dbraw/zinc/37/80/72/946378072.db2.gz MDBRLPXBAZYVKV-YPMHNXCESA-N -1 1 391.501 1.755 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(c4nc(Cl)c(-c5nnn[n-]5)s4)C[C@H]32)o1 ZINC001571306091 946388566 /nfs/dbraw/zinc/38/85/66/946388566.db2.gz PJJDKOKZWMLHJV-MBTKJCJQSA-N -1 1 391.844 1.743 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(c4nc(Cl)c(-c5nn[n-]n5)s4)C[C@H]32)o1 ZINC001571306091 946388573 /nfs/dbraw/zinc/38/85/73/946388573.db2.gz PJJDKOKZWMLHJV-MBTKJCJQSA-N -1 1 391.844 1.743 20 0 GDADMM Cc1nsc(N2CC[C@@H]3[C@H]2CCCN3C(=O)CC(C)(C)O)c1-c1nn[n-]n1 ZINC001571306208 946389683 /nfs/dbraw/zinc/38/96/83/946389683.db2.gz QRKTTXGDQINKDR-VXGBXAGGSA-N -1 1 391.501 1.362 20 0 GDADMM C[C@H]1[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCN1C(=O)c1cnccn1 ZINC001571306226 946390359 /nfs/dbraw/zinc/39/03/59/946390359.db2.gz QUTMFFKNNFINBJ-JGVFFNPUSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCN1C(=O)c1cnccn1 ZINC001571306226 946390368 /nfs/dbraw/zinc/39/03/68/946390368.db2.gz QUTMFFKNNFINBJ-JGVFFNPUSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCN1C(=O)c1cnccn1 ZINC001571306225 946392120 /nfs/dbraw/zinc/39/21/20/946392120.db2.gz QUTMFFKNNFINBJ-HTQZYQBOSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCN1C(=O)c1cnccn1 ZINC001571306225 946392131 /nfs/dbraw/zinc/39/21/31/946392131.db2.gz QUTMFFKNNFINBJ-HTQZYQBOSA-N -1 1 391.848 1.482 20 0 GDADMM O=C(c1nc(Cl)cs1)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571306366 946398495 /nfs/dbraw/zinc/39/84/95/946398495.db2.gz UHPJTPRMQQVBDQ-UHFFFAOYSA-N -1 1 391.848 1.483 20 0 GDADMM O=C(c1nc(Cl)cs1)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571306366 946398510 /nfs/dbraw/zinc/39/85/10/946398510.db2.gz UHPJTPRMQQVBDQ-UHFFFAOYSA-N -1 1 391.848 1.483 20 0 GDADMM O=S(=O)(c1ccsc1-c1nn[n-]n1)N1CCC[C@]1(CO)c1ccccc1 ZINC001571306611 946404782 /nfs/dbraw/zinc/40/47/82/946404782.db2.gz MEXPZEWVJWISQR-INIZCTEOSA-N -1 1 391.478 1.601 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000823294531 946406138 /nfs/dbraw/zinc/40/61/38/946406138.db2.gz FTGZNXOFRFPCHX-UHFFFAOYSA-N -1 1 392.375 1.474 20 0 GDADMM Cc1nsc(NCC[C@@H]2CCCCN2C(=O)[C@@H]2CCCO2)c1-c1nn[n-]n1 ZINC001571306685 946407624 /nfs/dbraw/zinc/40/76/24/946407624.db2.gz ZLWGZGZXTNXQJJ-STQMWFEESA-N -1 1 391.501 1.994 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cscc1C(F)F ZINC001571307263 946420230 /nfs/dbraw/zinc/42/02/30/946420230.db2.gz BKKWSFUNGWFPQT-ZKCHVHJHSA-N -1 1 392.395 1.451 20 0 GDADMM CN(CC1CCN(C(=O)C2(C(F)F)CC2)CC1)c1cncc(-c2nnn[n-]2)n1 ZINC001571307272 946420548 /nfs/dbraw/zinc/42/05/48/946420548.db2.gz BYOQSYWJQWNCBT-UHFFFAOYSA-N -1 1 392.414 1.377 20 0 GDADMM CN(CC1CCN(C(=O)C2(C(F)F)CC2)CC1)c1cncc(-c2nn[n-]n2)n1 ZINC001571307272 946420553 /nfs/dbraw/zinc/42/05/53/946420553.db2.gz BYOQSYWJQWNCBT-UHFFFAOYSA-N -1 1 392.414 1.377 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571307871 946427804 /nfs/dbraw/zinc/42/78/04/946427804.db2.gz IFZYPXIVABIVKM-GHMZBOCLSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571307871 946427807 /nfs/dbraw/zinc/42/78/07/946427807.db2.gz IFZYPXIVABIVKM-GHMZBOCLSA-N -1 1 392.414 1.599 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC2CCN(C(=O)[C@@H]3CCC(F)(F)C3)CC2)n1 ZINC001571308385 946433884 /nfs/dbraw/zinc/43/38/84/946433884.db2.gz PJPCICOZUYWCSD-LLVKDONJSA-N -1 1 392.414 1.803 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC2CCN(C(=O)[C@@H]3CCC(F)(F)C3)CC2)n1 ZINC001571308385 946433892 /nfs/dbraw/zinc/43/38/92/946433892.db2.gz PJPCICOZUYWCSD-LLVKDONJSA-N -1 1 392.414 1.803 20 0 GDADMM O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccnc(-c3nn[n-]n3)n1)C2)c1ccccc1O ZINC001571309507 946447650 /nfs/dbraw/zinc/44/76/50/946447650.db2.gz CBJIUQSSHYAYGB-XQQFMLRXSA-N -1 1 392.423 1.150 20 0 GDADMM O=S(=O)(NCCc1nc2ccccc2s1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823578974 946449008 /nfs/dbraw/zinc/44/90/08/946449008.db2.gz XUZXNYCRIGWRPF-UHFFFAOYSA-N -1 1 387.450 1.392 20 0 GDADMM O=S(=O)(NCCc1nc2ccccc2s1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823578974 946449013 /nfs/dbraw/zinc/44/90/13/946449013.db2.gz XUZXNYCRIGWRPF-UHFFFAOYSA-N -1 1 387.450 1.392 20 0 GDADMM O=C(NCC1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1)[C@@H]1COc2ccccc21 ZINC001571309724 946453159 /nfs/dbraw/zinc/45/31/59/946453159.db2.gz IPKRESJRBGPDJJ-ORHYLEIMSA-N -1 1 392.423 1.140 20 0 GDADMM O=C(NCC1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1)[C@@H]1COc2ccccc21 ZINC001571309724 946453163 /nfs/dbraw/zinc/45/31/63/946453163.db2.gz IPKRESJRBGPDJJ-ORHYLEIMSA-N -1 1 392.423 1.140 20 0 GDADMM O=C(N[C@]12CCC[C@@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2)c1ccccc1O ZINC001571309913 946457066 /nfs/dbraw/zinc/45/70/66/946457066.db2.gz PFGVNDPWGHYJFB-KXBFYZLASA-N -1 1 392.423 1.294 20 0 GDADMM O=C([C@@H]1COc2ccccc21)N1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571310120 946461215 /nfs/dbraw/zinc/46/12/15/946461215.db2.gz VXIYOAVKVNDCMQ-GXTWGEPZSA-N -1 1 392.423 1.236 20 0 GDADMM O=C([C@@H]1COc2ccccc21)N1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571310120 946461224 /nfs/dbraw/zinc/46/12/24/946461224.db2.gz VXIYOAVKVNDCMQ-GXTWGEPZSA-N -1 1 392.423 1.236 20 0 GDADMM O=C(c1cncnc1C1CC1)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571310615 946478119 /nfs/dbraw/zinc/47/81/19/946478119.db2.gz KSXOKSSEJDAKIM-LBPRGKRZSA-N -1 1 392.427 1.041 20 0 GDADMM O=C(c1cncnc1C1CC1)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571310615 946478126 /nfs/dbraw/zinc/47/81/26/946478126.db2.gz KSXOKSSEJDAKIM-LBPRGKRZSA-N -1 1 392.427 1.041 20 0 GDADMM CN(C)S(=O)(=O)c1ccc(N(C)C(=O)c2csc(-c3nn[n-]n3)c2)cc1 ZINC001571310832 946479104 /nfs/dbraw/zinc/47/91/04/946479104.db2.gz NWJVTPHPRAYCBR-UHFFFAOYSA-N -1 1 392.466 1.455 20 0 GDADMM CC(C)(Cc1ccccc1)C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571311003 946480697 /nfs/dbraw/zinc/48/06/97/946480697.db2.gz PIUUFABYAMUNJU-HNNXBMFYSA-N -1 1 392.467 1.938 20 0 GDADMM CC(C)(Cc1ccccc1)C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571311003 946480698 /nfs/dbraw/zinc/48/06/98/946480698.db2.gz PIUUFABYAMUNJU-HNNXBMFYSA-N -1 1 392.467 1.938 20 0 GDADMM C[C@@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)CN1C(=O)c1cnc(C2CC2)nc1 ZINC001571312872 946504904 /nfs/dbraw/zinc/50/49/04/946504904.db2.gz LNYMGUYMXNZQHJ-MFKMUULPSA-N -1 1 392.427 1.039 20 0 GDADMM C[C@@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)CN1C(=O)c1cnc(C2CC2)nc1 ZINC001571312872 946504919 /nfs/dbraw/zinc/50/49/19/946504919.db2.gz LNYMGUYMXNZQHJ-MFKMUULPSA-N -1 1 392.427 1.039 20 0 GDADMM CCc1ccccc1C(=O)N1CC[C@@H](N(C)c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571313173 946513523 /nfs/dbraw/zinc/51/35/23/946513523.db2.gz JDLDVZMZAJLXFA-OAHLLOKOSA-N -1 1 392.467 1.878 20 0 GDADMM CCc1ccccc1C(=O)N1CC[C@@H](N(C)c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571313173 946513532 /nfs/dbraw/zinc/51/35/32/946513532.db2.gz JDLDVZMZAJLXFA-OAHLLOKOSA-N -1 1 392.467 1.878 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)c3cccc(C)c3C)C2)n1 ZINC001571313700 946531158 /nfs/dbraw/zinc/53/11/58/946531158.db2.gz UFAVOSGGDWUBMQ-AWEZNQCLSA-N -1 1 392.467 1.845 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)c3cccc(C)c3C)C2)n1 ZINC001571313700 946531162 /nfs/dbraw/zinc/53/11/62/946531162.db2.gz UFAVOSGGDWUBMQ-AWEZNQCLSA-N -1 1 392.467 1.845 20 0 GDADMM Cc1ccc(CC(=O)N2C[C@@H](CNc3nccnc3-c3nnn[n-]3)[C@H](C)C2)cc1 ZINC001571314733 946543019 /nfs/dbraw/zinc/54/30/19/946543019.db2.gz BQQFYDLKCWUMIO-GDBMZVCRSA-N -1 1 392.467 1.714 20 0 GDADMM Cc1ccc(CC(=O)N2C[C@@H](CNc3nccnc3-c3nn[n-]n3)[C@H](C)C2)cc1 ZINC001571314733 946543026 /nfs/dbraw/zinc/54/30/26/946543026.db2.gz BQQFYDLKCWUMIO-GDBMZVCRSA-N -1 1 392.467 1.714 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@@H](CN(C)c3cnc(-c4nnn[n-]4)cn3)C2)c1C ZINC001571315459 946553448 /nfs/dbraw/zinc/55/34/48/946553448.db2.gz LMCPUMDSCJYRAT-HNNXBMFYSA-N -1 1 392.467 1.872 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@@H](CN(C)c3cnc(-c4nn[n-]n4)cn3)C2)c1C ZINC001571315459 946553455 /nfs/dbraw/zinc/55/34/55/946553455.db2.gz LMCPUMDSCJYRAT-HNNXBMFYSA-N -1 1 392.467 1.872 20 0 GDADMM Cc1cccc(C(=O)N[C@@H]2CC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)c1C ZINC001571315630 946554836 /nfs/dbraw/zinc/55/48/36/946554836.db2.gz MMYUQEYFXYXDFK-LSDHHAIUSA-N -1 1 392.467 1.706 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)[C@H](C)Cc3ccccc3)C2)n1 ZINC001571315993 946561680 /nfs/dbraw/zinc/56/16/80/946561680.db2.gz QYKNETLOMYSMJO-CZUORRHYSA-N -1 1 392.467 1.857 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)[C@H](C)Cc3ccccc3)C2)n1 ZINC001571315993 946561688 /nfs/dbraw/zinc/56/16/88/946561688.db2.gz QYKNETLOMYSMJO-CZUORRHYSA-N -1 1 392.467 1.857 20 0 GDADMM CC(C)(C)OC(=O)Nc1cnc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cn1 ZINC000824113717 946593570 /nfs/dbraw/zinc/59/35/70/946593570.db2.gz AXMGZAGKQOMSAU-UHFFFAOYSA-N -1 1 398.383 1.962 20 0 GDADMM Cc1cccc(CCC(=O)N2C[C@@H](C)[C@H](Nc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571317020 946595290 /nfs/dbraw/zinc/59/52/90/946595290.db2.gz RZGKBAMXWWANAQ-GDBMZVCRSA-N -1 1 392.467 1.857 20 0 GDADMM Cc1cccc(CCC(=O)N2C[C@@H](C)[C@H](Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571317020 946595294 /nfs/dbraw/zinc/59/52/94/946595294.db2.gz RZGKBAMXWWANAQ-GDBMZVCRSA-N -1 1 392.467 1.857 20 0 GDADMM C[C@H]1CN(C(=O)Cc2ccc[nH]2)C[C@H]1Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001571317935 946624396 /nfs/dbraw/zinc/62/43/96/946624396.db2.gz ZFJHXKVVYBKOPS-WCBMZHEXSA-N -1 1 392.876 1.806 20 0 GDADMM Brc1cnc([C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)nc1 ZINC001573279079 946629839 /nfs/dbraw/zinc/62/98/39/946629839.db2.gz CFHVIAWFKXZBLD-SECBINFHSA-N -1 1 388.233 1.593 20 0 GDADMM Brc1cnc([C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)nc1 ZINC001573279079 946629852 /nfs/dbraw/zinc/62/98/52/946629852.db2.gz CFHVIAWFKXZBLD-SECBINFHSA-N -1 1 388.233 1.593 20 0 GDADMM CC(=O)NCc1ccc(C(=O)Cn2c3c(cc(-c4nn[n-]n4)c2=O)CCC3)cc1 ZINC001573533585 946717446 /nfs/dbraw/zinc/71/74/46/946717446.db2.gz UEZYFEHVDNUMGE-UHFFFAOYSA-N -1 1 392.419 1.036 20 0 GDADMM CC(=O)Nc1ccc(C(=O)Nc2ncc3c(c2-c2nn[n-]n2)COCC3)cc1 ZINC001573547954 946844553 /nfs/dbraw/zinc/84/45/53/946844553.db2.gz ZEPAISUUJIPLRV-UHFFFAOYSA-N -1 1 379.380 1.545 20 0 GDADMM CC1(C)CC[C@H]2C[C@H](NC(=O)Cn3cnc(-c4nn[n-]n4)n3)c3cccc1c32 ZINC000824801708 946937894 /nfs/dbraw/zinc/93/78/94/946937894.db2.gz GXCACAZRZJDWIH-FZMZJTMJSA-N -1 1 378.440 1.874 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c1-c1nn[n-]n1 ZINC000825565051 947225297 /nfs/dbraw/zinc/22/52/97/947225297.db2.gz KTBLAZZRNGWBJQ-DMDPSCGWSA-N -1 1 375.433 1.181 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)Nc2ccccc2Cl)c1-c1nn[n-]n1 ZINC000825570936 947235261 /nfs/dbraw/zinc/23/52/61/947235261.db2.gz OQINZRZPUXAVEM-UHFFFAOYSA-N -1 1 375.776 1.532 20 0 GDADMM CCO[C@H](C)c1nc(CN(C)C(=O)Cc2noc(C)c2-c2nnn[n-]2)cs1 ZINC000825576590 947236315 /nfs/dbraw/zinc/23/63/15/947236315.db2.gz LBRYKGQGOYQLJC-SNVBAGLBSA-N -1 1 391.457 1.918 20 0 GDADMM CCO[C@H](C)c1nc(CN(C)C(=O)Cc2noc(C)c2-c2nn[n-]n2)cs1 ZINC000825576590 947236323 /nfs/dbraw/zinc/23/63/23/947236323.db2.gz LBRYKGQGOYQLJC-SNVBAGLBSA-N -1 1 391.457 1.918 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H](C)c1ccccc1F ZINC001573586149 947278428 /nfs/dbraw/zinc/27/84/28/947278428.db2.gz KZWBUQFQXWAVFM-VXGBXAGGSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H](C)c1ccccc1F ZINC001573586149 947278440 /nfs/dbraw/zinc/27/84/40/947278440.db2.gz KZWBUQFQXWAVFM-VXGBXAGGSA-N -1 1 384.419 1.858 20 0 GDADMM C=C/C(C)=C/CC(=O)NCC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001573316948 947288652 /nfs/dbraw/zinc/28/86/52/947288652.db2.gz JVCZHEJUBXTERV-HMBIXPHWSA-N -1 1 382.472 1.758 20 0 GDADMM C=C/C(C)=C/CC(=O)NCC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001573316948 947288667 /nfs/dbraw/zinc/28/86/67/947288667.db2.gz JVCZHEJUBXTERV-HMBIXPHWSA-N -1 1 382.472 1.758 20 0 GDADMM C=C/C(C)=C/CC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001573317354 947296643 /nfs/dbraw/zinc/29/66/43/947296643.db2.gz NYQXNGFYFBUEDC-SEMCASQCSA-N -1 1 380.456 1.749 20 0 GDADMM C=C/C(C)=C/CC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001573317354 947296648 /nfs/dbraw/zinc/29/66/48/947296648.db2.gz NYQXNGFYFBUEDC-SEMCASQCSA-N -1 1 380.456 1.749 20 0 GDADMM C[C@@H](C(=O)N(C)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C(F)(F)F ZINC001573592834 947353547 /nfs/dbraw/zinc/35/35/47/947353547.db2.gz NVMKPZSYXRQJIH-VIFPVBQESA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H](C(=O)N(C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C(F)(F)F ZINC001573592834 947353560 /nfs/dbraw/zinc/35/35/60/947353560.db2.gz NVMKPZSYXRQJIH-VIFPVBQESA-N -1 1 384.366 1.282 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccnc(Cl)c1F ZINC000825934649 947379000 /nfs/dbraw/zinc/37/90/00/947379000.db2.gz PJYYWHJQXBASCQ-UHFFFAOYSA-N -1 1 379.787 1.064 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccnc(Cl)c1F ZINC000825934649 947379007 /nfs/dbraw/zinc/37/90/07/947379007.db2.gz PJYYWHJQXBASCQ-UHFFFAOYSA-N -1 1 379.787 1.064 20 0 GDADMM CO[C@H]1CCCN(C(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)CC1 ZINC000826146557 947464952 /nfs/dbraw/zinc/46/49/52/947464952.db2.gz XRKDLMKKFJVJPT-AWEZNQCLSA-N -1 1 398.471 1.486 20 0 GDADMM CO[C@H]1CCCN(C(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)CC1 ZINC000826146557 947464961 /nfs/dbraw/zinc/46/49/61/947464961.db2.gz XRKDLMKKFJVJPT-AWEZNQCLSA-N -1 1 398.471 1.486 20 0 GDADMM COCCC1(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CCCC1 ZINC000826155131 947488785 /nfs/dbraw/zinc/48/87/85/947488785.db2.gz HKJGZIZDPPPUIZ-UHFFFAOYSA-N -1 1 376.465 1.160 20 0 GDADMM COCCC1(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CCCC1 ZINC000826155131 947488791 /nfs/dbraw/zinc/48/87/91/947488791.db2.gz HKJGZIZDPPPUIZ-UHFFFAOYSA-N -1 1 376.465 1.160 20 0 GDADMM C[C@H](C(=O)N(CCO)CCNc1snc(Cl)c1-c1nnn[n-]1)C1CC1 ZINC001573606996 947536714 /nfs/dbraw/zinc/53/67/14/947536714.db2.gz CCFSZVTYBFKEHA-QMMMGPOBSA-N -1 1 385.881 1.256 20 0 GDADMM C[C@H](C(=O)N(CCO)CCNc1snc(Cl)c1-c1nn[n-]n1)C1CC1 ZINC001573606996 947536723 /nfs/dbraw/zinc/53/67/23/947536723.db2.gz CCFSZVTYBFKEHA-QMMMGPOBSA-N -1 1 385.881 1.256 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)C(C)(F)F ZINC001573613499 947563145 /nfs/dbraw/zinc/56/31/45/947563145.db2.gz BGWTZWXPUNWLMY-MXWKQRLJSA-N -1 1 378.387 1.128 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)C(C)(F)F ZINC001573613499 947563153 /nfs/dbraw/zinc/56/31/53/947563153.db2.gz BGWTZWXPUNWLMY-MXWKQRLJSA-N -1 1 378.387 1.128 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C(C)(C)C1)C(F)(F)F ZINC001573613683 947568288 /nfs/dbraw/zinc/56/82/88/947568288.db2.gz GOSCIFRANWWTFA-WCBMZHEXSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C(C)(C)C1)C(F)(F)F ZINC001573613683 947568294 /nfs/dbraw/zinc/56/82/94/947568294.db2.gz GOSCIFRANWWTFA-WCBMZHEXSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1)C1CCC1 ZINC001573614519 947588077 /nfs/dbraw/zinc/58/80/77/947588077.db2.gz MPWPHOICTKRVOB-YUELXQCFSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1)C1CCC1 ZINC001573614519 947588088 /nfs/dbraw/zinc/58/80/88/947588088.db2.gz MPWPHOICTKRVOB-YUELXQCFSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001573614631 947588977 /nfs/dbraw/zinc/58/89/77/947588977.db2.gz NSBNICJDNUIPQI-MCIONIFRSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001573614631 947588984 /nfs/dbraw/zinc/58/89/84/947588984.db2.gz NSBNICJDNUIPQI-MCIONIFRSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CN(C)c2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001573614765 947589875 /nfs/dbraw/zinc/58/98/75/947589875.db2.gz GXGHMXDWMBPOMY-UWVGGRQHSA-N -1 1 384.366 1.140 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CN(C)c2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001573614765 947589883 /nfs/dbraw/zinc/58/98/83/947589883.db2.gz GXGHMXDWMBPOMY-UWVGGRQHSA-N -1 1 384.366 1.140 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@@H](N(C)c3nccnc3-c3nnn[n-]3)C2)cc1 ZINC001573350312 947594671 /nfs/dbraw/zinc/59/46/71/947594671.db2.gz ABJBXSNCINFDSN-OAHLLOKOSA-N -1 1 376.424 1.651 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@@H](N(C)c3nccnc3-c3nn[n-]n3)C2)cc1 ZINC001573350312 947594678 /nfs/dbraw/zinc/59/46/78/947594678.db2.gz ABJBXSNCINFDSN-OAHLLOKOSA-N -1 1 376.424 1.651 20 0 GDADMM COc1cccc(N2CCN(C(=O)Cc3noc(C)c3-c3nnn[n-]3)CC2)c1 ZINC000826216868 947637312 /nfs/dbraw/zinc/63/73/12/947637312.db2.gz QOQMCCNYEDNNAQ-UHFFFAOYSA-N -1 1 383.412 1.063 20 0 GDADMM COc1cccc(N2CCN(C(=O)Cc3noc(C)c3-c3nn[n-]n3)CC2)c1 ZINC000826216868 947637320 /nfs/dbraw/zinc/63/73/20/947637320.db2.gz QOQMCCNYEDNNAQ-UHFFFAOYSA-N -1 1 383.412 1.063 20 0 GDADMM C=Cc1ccc(C(=O)NCC2=CCN(c3cncc(-c4nnn[n-]4)n3)CC2)cc1 ZINC001573355491 947643713 /nfs/dbraw/zinc/64/37/13/947643713.db2.gz PTSJFYXYCCLWKZ-UHFFFAOYSA-N -1 1 388.435 1.866 20 0 GDADMM C=Cc1ccc(C(=O)NCC2=CCN(c3cncc(-c4nn[n-]n4)n3)CC2)cc1 ZINC001573355491 947643719 /nfs/dbraw/zinc/64/37/19/947643719.db2.gz PTSJFYXYCCLWKZ-UHFFFAOYSA-N -1 1 388.435 1.866 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(-c3nc(C)cc(=O)[nH]3)cc2)c1-c1nn[n-]n1 ZINC000826256595 947741687 /nfs/dbraw/zinc/74/16/87/947741687.db2.gz QVTMKADWKCBJPC-UHFFFAOYSA-N -1 1 392.379 1.403 20 0 GDADMM CC(=O)CCCC(=O)N1C[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C[C@@H]1C ZINC001573367432 947759777 /nfs/dbraw/zinc/75/97/77/947759777.db2.gz CZYBWCPCWZUKEL-CABZTGNLSA-N -1 1 377.474 1.792 20 0 GDADMM C[C@H](C(=O)N1CCC2(C1)CCN(c1nccnc1-c1nnn[n-]1)CC2)C1CC1 ZINC001573628653 947761624 /nfs/dbraw/zinc/76/16/24/947761624.db2.gz JENRKXNCEHEFJV-ZDUSSCGKSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H](C(=O)N1CCC2(C1)CCN(c1nccnc1-c1nn[n-]n1)CC2)C1CC1 ZINC001573628653 947761632 /nfs/dbraw/zinc/76/16/32/947761632.db2.gz JENRKXNCEHEFJV-ZDUSSCGKSA-N -1 1 382.472 1.522 20 0 GDADMM CC(=O)CCCC(=O)N1CCC([C@H](C)Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573368744 947768656 /nfs/dbraw/zinc/76/86/56/947768656.db2.gz OPVHHUPRMKHJKY-ZDUSSCGKSA-N -1 1 386.460 1.455 20 0 GDADMM CC(=O)CCCC(=O)N1CCC([C@H](C)Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573368744 947768664 /nfs/dbraw/zinc/76/86/64/947768664.db2.gz OPVHHUPRMKHJKY-ZDUSSCGKSA-N -1 1 386.460 1.455 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@H](C)[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573369218 947772297 /nfs/dbraw/zinc/77/22/97/947772297.db2.gz RQTWZCLKDIXVSB-JSGCOSHPSA-N -1 1 386.460 1.313 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@H](C)[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573369218 947772304 /nfs/dbraw/zinc/77/23/04/947772304.db2.gz RQTWZCLKDIXVSB-JSGCOSHPSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1)C(C)(F)F ZINC001573629184 947772964 /nfs/dbraw/zinc/77/29/64/947772964.db2.gz REKGYMOODROYFL-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1)C(C)(F)F ZINC001573629184 947772970 /nfs/dbraw/zinc/77/29/70/947772970.db2.gz REKGYMOODROYFL-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@@H]([C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573372670 947782660 /nfs/dbraw/zinc/78/26/60/947782660.db2.gz BPGYRIUUALKJES-UONOGXRCSA-N -1 1 386.460 1.455 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@@H]([C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573372670 947782668 /nfs/dbraw/zinc/78/26/68/947782668.db2.gz BPGYRIUUALKJES-UONOGXRCSA-N -1 1 386.460 1.455 20 0 GDADMM Cc1cc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)n(Cc2ccccc2)n1 ZINC000826270418 947783433 /nfs/dbraw/zinc/78/34/33/947783433.db2.gz ZJOWQHXLWSEUNK-UHFFFAOYSA-N -1 1 378.396 1.898 20 0 GDADMM Cc1cc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)n(Cc2ccccc2)n1 ZINC000826270418 947783437 /nfs/dbraw/zinc/78/34/37/947783437.db2.gz ZJOWQHXLWSEUNK-UHFFFAOYSA-N -1 1 378.396 1.898 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001573372836 947783657 /nfs/dbraw/zinc/78/36/57/947783657.db2.gz DNGIOPXZCUXTEB-JSGCOSHPSA-N -1 1 386.460 1.313 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001573372836 947783664 /nfs/dbraw/zinc/78/36/64/947783664.db2.gz DNGIOPXZCUXTEB-JSGCOSHPSA-N -1 1 386.460 1.313 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2 ZINC001573373067 947787850 /nfs/dbraw/zinc/78/78/50/947787850.db2.gz AITIDCOUYMEROP-KGLIPLIRSA-N -1 1 384.444 1.255 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2 ZINC001573373067 947787859 /nfs/dbraw/zinc/78/78/59/947787859.db2.gz AITIDCOUYMEROP-KGLIPLIRSA-N -1 1 384.444 1.255 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)C(C)(F)F ZINC001573630186 947789099 /nfs/dbraw/zinc/78/90/99/947789099.db2.gz RCVLVAMZDYZFRS-TUAOUCFPSA-N -1 1 392.414 1.518 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)C(C)(F)F ZINC001573630186 947789103 /nfs/dbraw/zinc/78/91/03/947789103.db2.gz RCVLVAMZDYZFRS-TUAOUCFPSA-N -1 1 392.414 1.518 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001573374588 947808955 /nfs/dbraw/zinc/80/89/55/947808955.db2.gz OILQKJWATZOWCX-AWEZNQCLSA-N -1 1 386.460 1.599 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001573374588 947808960 /nfs/dbraw/zinc/80/89/60/947808960.db2.gz OILQKJWATZOWCX-AWEZNQCLSA-N -1 1 386.460 1.599 20 0 GDADMM CC(=O)CCCC(=O)N[C@H](C)CN(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001573375544 947821022 /nfs/dbraw/zinc/82/10/22/947821022.db2.gz OBQJXPZRVADPPL-MRVPVSSYSA-N -1 1 385.881 1.677 20 0 GDADMM CC(=O)CCCC(=O)N[C@H](C)CN(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001573375544 947821031 /nfs/dbraw/zinc/82/10/31/947821031.db2.gz OBQJXPZRVADPPL-MRVPVSSYSA-N -1 1 385.881 1.677 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1)c1ccsc1 ZINC001573638347 947838835 /nfs/dbraw/zinc/83/88/35/947838835.db2.gz KUHUWBAOFUWXMW-WCQYABFASA-N -1 1 384.469 1.925 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1)c1ccsc1 ZINC001573638347 947838841 /nfs/dbraw/zinc/83/88/41/947838841.db2.gz KUHUWBAOFUWXMW-WCQYABFASA-N -1 1 384.469 1.925 20 0 GDADMM CC(=O)CCCC(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCCCC1 ZINC001573380496 947859605 /nfs/dbraw/zinc/85/96/05/947859605.db2.gz CWPXOTXMEJOZOI-UHFFFAOYSA-N -1 1 386.460 1.647 20 0 GDADMM CC(=O)CCCC(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCCCC1 ZINC001573380496 947859613 /nfs/dbraw/zinc/85/96/13/947859613.db2.gz CWPXOTXMEJOZOI-UHFFFAOYSA-N -1 1 386.460 1.647 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@@]2(C)C1)C(C)(F)F ZINC001573651971 947925115 /nfs/dbraw/zinc/92/51/15/947925115.db2.gz SDFRSLAVAOPDNV-USBNGQNGSA-N -1 1 392.414 1.233 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@@]2(C)C1)C(C)(F)F ZINC001573651971 947925121 /nfs/dbraw/zinc/92/51/21/947925121.db2.gz SDFRSLAVAOPDNV-USBNGQNGSA-N -1 1 392.414 1.233 20 0 GDADMM C[C@H](C(=O)N[C@@](C)(CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1ccco1 ZINC001573652145 947931807 /nfs/dbraw/zinc/93/18/07/947931807.db2.gz BGOUNIGBCIZORP-VOJFVSQTSA-N -1 1 382.428 1.172 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C(C)(C)C)C(C)(F)F ZINC001573654232 947964224 /nfs/dbraw/zinc/96/42/24/947964224.db2.gz PTWQXYIHFFJETM-NXEZZACHSA-N -1 1 382.419 1.891 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C(C)(C)C)C(C)(F)F ZINC001573654232 947964228 /nfs/dbraw/zinc/96/42/28/947964228.db2.gz PTWQXYIHFFJETM-NXEZZACHSA-N -1 1 382.419 1.891 20 0 GDADMM Cc1nn(C)c(Oc2cccnc2)c1NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000826333992 947967614 /nfs/dbraw/zinc/96/76/14/947967614.db2.gz CIXFWDOUZVZREF-UHFFFAOYSA-N -1 1 395.383 1.574 20 0 GDADMM Cc1nn(C)c(Oc2cccnc2)c1NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000826333992 947967620 /nfs/dbraw/zinc/96/76/20/947967620.db2.gz CIXFWDOUZVZREF-UHFFFAOYSA-N -1 1 395.383 1.574 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C(C)(C)C)C(C)(F)F ZINC001573655197 947975270 /nfs/dbraw/zinc/97/52/70/947975270.db2.gz WJTWTXYUEKNGSN-ZJUUUORDSA-N -1 1 382.419 1.313 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C(C)(C)C)C(C)(F)F ZINC001573655548 947980331 /nfs/dbraw/zinc/98/03/31/947980331.db2.gz YFPNKISUGCDMAD-GXSJLCMTSA-N -1 1 382.419 1.891 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C(C)(C)C)C(C)(F)F ZINC001573655548 947980336 /nfs/dbraw/zinc/98/03/36/947980336.db2.gz YFPNKISUGCDMAD-GXSJLCMTSA-N -1 1 382.419 1.891 20 0 GDADMM Cc1onc(CC(=O)N2CCC(OC[C@@H]3CCCCO3)CC2)c1-c1nnn[n-]1 ZINC000826344018 948000150 /nfs/dbraw/zinc/00/01/50/948000150.db2.gz VBMXQIKBGFENKR-AWEZNQCLSA-N -1 1 390.444 1.282 20 0 GDADMM Cc1onc(CC(=O)N2CCC(OC[C@@H]3CCCCO3)CC2)c1-c1nn[n-]n1 ZINC000826344018 948000154 /nfs/dbraw/zinc/00/01/54/948000154.db2.gz VBMXQIKBGFENKR-AWEZNQCLSA-N -1 1 390.444 1.282 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](Cn2cccn2)c2ccccc2)c1-c1nnn[n-]1 ZINC000826345063 948019468 /nfs/dbraw/zinc/01/94/68/948019468.db2.gz AVUOZFLSHGHRLB-HNNXBMFYSA-N -1 1 378.396 1.460 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](Cn2cccn2)c2ccccc2)c1-c1nn[n-]n1 ZINC000826345063 948019473 /nfs/dbraw/zinc/01/94/73/948019473.db2.gz AVUOZFLSHGHRLB-HNNXBMFYSA-N -1 1 378.396 1.460 20 0 GDADMM Cc1onc(CC(=O)N[C@H](C)c2cn(-c3ccccc3)nn2)c1-c1nnn[n-]1 ZINC000826345495 948025126 /nfs/dbraw/zinc/02/51/26/948025126.db2.gz MFKMWKCMWHXRDV-SNVBAGLBSA-N -1 1 379.384 1.164 20 0 GDADMM Cc1onc(CC(=O)N[C@H](C)c2cn(-c3ccccc3)nn2)c1-c1nn[n-]n1 ZINC000826345495 948025135 /nfs/dbraw/zinc/02/51/35/948025135.db2.gz MFKMWKCMWHXRDV-SNVBAGLBSA-N -1 1 379.384 1.164 20 0 GDADMM Cc1onc(CC(=O)N[C@H](C)c2ccc3c(c2)CCC(=O)N3)c1-c1nnn[n-]1 ZINC000826345471 948026531 /nfs/dbraw/zinc/02/65/31/948026531.db2.gz LTVFGEHUBKQIQR-SECBINFHSA-N -1 1 381.396 1.468 20 0 GDADMM Cc1onc(CC(=O)N[C@H](C)c2ccc3c(c2)CCC(=O)N3)c1-c1nn[n-]n1 ZINC000826345471 948026545 /nfs/dbraw/zinc/02/65/45/948026545.db2.gz LTVFGEHUBKQIQR-SECBINFHSA-N -1 1 381.396 1.468 20 0 GDADMM Cc1onc(CC(=O)NC2(c3cccc(F)c3)CCOCC2)c1-c1nnn[n-]1 ZINC000826346969 948049538 /nfs/dbraw/zinc/04/95/38/948049538.db2.gz ZRBFUIDGJGERPR-UHFFFAOYSA-N -1 1 386.387 1.667 20 0 GDADMM Cc1onc(CC(=O)NC2(c3cccc(F)c3)CCOCC2)c1-c1nn[n-]n1 ZINC000826346969 948049548 /nfs/dbraw/zinc/04/95/48/948049548.db2.gz ZRBFUIDGJGERPR-UHFFFAOYSA-N -1 1 386.387 1.667 20 0 GDADMM CC(C(=O)NC1(CNc2cnc(-c3nnn[n-]3)cn2)CCOCC1)=C1CCC1 ZINC001573664682 948057869 /nfs/dbraw/zinc/05/78/69/948057869.db2.gz WXPWJQDIKUODNT-UHFFFAOYSA-N -1 1 384.444 1.234 20 0 GDADMM CC(C(=O)NC1(CNc2cnc(-c3nn[n-]n3)cn2)CCOCC1)=C1CCC1 ZINC001573664682 948057880 /nfs/dbraw/zinc/05/78/80/948057880.db2.gz WXPWJQDIKUODNT-UHFFFAOYSA-N -1 1 384.444 1.234 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C(C)(F)F ZINC001573665093 948068279 /nfs/dbraw/zinc/06/82/79/948068279.db2.gz IUNAGXPICXOURK-WDEREUQCSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C(C)(F)F ZINC001573665093 948068293 /nfs/dbraw/zinc/06/82/93/948068293.db2.gz IUNAGXPICXOURK-WDEREUQCSA-N -1 1 380.403 1.423 20 0 GDADMM Cc1onc(CC(=O)Nc2cccc(-c3nnnn3C3CC3)c2)c1-c1nnn[n-]1 ZINC000826348712 948080683 /nfs/dbraw/zinc/08/06/83/948080683.db2.gz ALIRALFYZZQTIO-UHFFFAOYSA-N -1 1 392.383 1.333 20 0 GDADMM Cc1onc(CC(=O)Nc2cccc(-c3nnnn3C3CC3)c2)c1-c1nn[n-]n1 ZINC000826348712 948080690 /nfs/dbraw/zinc/08/06/90/948080690.db2.gz ALIRALFYZZQTIO-UHFFFAOYSA-N -1 1 392.383 1.333 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C1CCCC1 ZINC001573666219 948081055 /nfs/dbraw/zinc/08/10/55/948081055.db2.gz RCLFEZWVMWINOO-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C1CCCC1 ZINC001573666219 948081067 /nfs/dbraw/zinc/08/10/67/948081067.db2.gz RCLFEZWVMWINOO-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM CC(=O)N(c1ccc(Nc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)cc1)[C@@H]1C[C@H]1C ZINC001573414118 948091622 /nfs/dbraw/zinc/09/16/22/948091622.db2.gz HLZBCCQULPNXLC-NOZJJQNGSA-N -1 1 396.411 1.171 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)c1ccsc1 ZINC001573667374 948098160 /nfs/dbraw/zinc/09/81/60/948098160.db2.gz ZCNXQTZXBRKNRK-WCQYABFASA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)c1ccsc1 ZINC001573667374 948098170 /nfs/dbraw/zinc/09/81/70/948098170.db2.gz ZCNXQTZXBRKNRK-WCQYABFASA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cccc(F)c1 ZINC001573677203 948132456 /nfs/dbraw/zinc/13/24/56/948132456.db2.gz WSXJOXLSNNWFLH-BXUZGUMPSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cccc(F)c1 ZINC001573677203 948132462 /nfs/dbraw/zinc/13/24/62/948132462.db2.gz WSXJOXLSNNWFLH-BXUZGUMPSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@@H](C(=O)NC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1)c1cccs1 ZINC001573678042 948147894 /nfs/dbraw/zinc/14/78/94/948147894.db2.gz CGACCVKYBRGEFL-ZYHUDNBSSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)NC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1)c1cccs1 ZINC001573678042 948147899 /nfs/dbraw/zinc/14/78/99/948147899.db2.gz CGACCVKYBRGEFL-ZYHUDNBSSA-N -1 1 384.469 1.829 20 0 GDADMM CC(=O)N1C[C@@H](C)OC2(CCN(c3snc(C)c3-c3nn[n-]n3)CC2)C1 ZINC001573425661 948150637 /nfs/dbraw/zinc/15/06/37/948150637.db2.gz ALUXEONUJPBIIB-SNVBAGLBSA-N -1 1 377.474 1.238 20 0 GDADMM CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)c(Cl)n3)[C@H]2C1 ZINC001573429390 948171456 /nfs/dbraw/zinc/17/14/56/948171456.db2.gz IAUONRBNIRWGDQ-DRZSPHRISA-N -1 1 389.847 1.292 20 0 GDADMM CC(C)[C@H](CNC(=O)[C@@H](C)c1cccnc1)Nc1nccnc1-c1nnn[n-]1 ZINC001573680819 948187743 /nfs/dbraw/zinc/18/77/43/948187743.db2.gz QHFIMHONHFRKDT-JSGCOSHPSA-N -1 1 381.444 1.408 20 0 GDADMM CC(C)[C@H](CNC(=O)[C@@H](C)c1cccnc1)Nc1nccnc1-c1nn[n-]n1 ZINC001573680819 948187750 /nfs/dbraw/zinc/18/77/50/948187750.db2.gz QHFIMHONHFRKDT-JSGCOSHPSA-N -1 1 381.444 1.408 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)C1CCCC1 ZINC001573696889 948337009 /nfs/dbraw/zinc/33/70/09/948337009.db2.gz ZEWRMQBCRRVTML-CYUUQNCZSA-N -1 1 382.472 1.281 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)C1CCCC1 ZINC001573696889 948337014 /nfs/dbraw/zinc/33/70/14/948337014.db2.gz ZEWRMQBCRRVTML-CYUUQNCZSA-N -1 1 382.472 1.281 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573703863 948361751 /nfs/dbraw/zinc/36/17/51/948361751.db2.gz NFBXHHPSUWSSAC-QWRGUYRKSA-N -1 1 380.403 1.281 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CCCC1 ZINC001573704400 948371802 /nfs/dbraw/zinc/37/18/02/948371802.db2.gz RRRUCDPVUUHUQC-UONOGXRCSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CCCC1 ZINC001573704400 948371811 /nfs/dbraw/zinc/37/18/11/948371811.db2.gz RRRUCDPVUUHUQC-UONOGXRCSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NCC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C)C(C)(C)C ZINC001573718793 948521349 /nfs/dbraw/zinc/52/13/49/948521349.db2.gz TVFMQZBXWYAPNZ-HZSPNIEDSA-N -1 1 386.504 1.918 20 0 GDADMM C[C@@H](C(=O)NCC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C)C(C)(C)C ZINC001573718793 948521351 /nfs/dbraw/zinc/52/13/51/948521351.db2.gz TVFMQZBXWYAPNZ-HZSPNIEDSA-N -1 1 386.504 1.918 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C)C(F)(F)F ZINC001573726008 948547471 /nfs/dbraw/zinc/54/74/71/948547471.db2.gz FQSJVTZIGHQRLJ-OPRDCNLKSA-N -1 1 384.366 1.044 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C)C(F)(F)F ZINC001573726008 948547481 /nfs/dbraw/zinc/54/74/81/948547481.db2.gz FQSJVTZIGHQRLJ-OPRDCNLKSA-N -1 1 384.366 1.044 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C)C(C)(F)F ZINC001573727957 948557908 /nfs/dbraw/zinc/55/79/08/948557908.db2.gz NRZSPMFLIYHSAA-GMTAPVOTSA-N -1 1 380.403 1.137 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C)C(C)(F)F ZINC001573727957 948557915 /nfs/dbraw/zinc/55/79/15/948557915.db2.gz NRZSPMFLIYHSAA-GMTAPVOTSA-N -1 1 380.403 1.137 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccco1 ZINC001573729574 948569870 /nfs/dbraw/zinc/56/98/70/948569870.db2.gz UZGRXJSUZRUNKV-FRRDWIJNSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001573729574 948569876 /nfs/dbraw/zinc/56/98/76/948569876.db2.gz UZGRXJSUZRUNKV-FRRDWIJNSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)c1ccc(Cl)s1 ZINC001573742662 948662752 /nfs/dbraw/zinc/66/27/52/948662752.db2.gz PEYLGFQYOWDHFE-BDAKNGLRSA-N -1 1 392.876 1.514 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H](C)c1c(F)cccc1F ZINC001573743143 948667656 /nfs/dbraw/zinc/66/76/56/948667656.db2.gz YVGIAMWVYWRECT-NXEZZACHSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)c1c(F)cccc1F ZINC001573743143 948667659 /nfs/dbraw/zinc/66/76/59/948667659.db2.gz YVGIAMWVYWRECT-NXEZZACHSA-N -1 1 388.382 1.655 20 0 GDADMM CC(C)c1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nnn[n-]3)cn2)nc1 ZINC001574415988 948743879 /nfs/dbraw/zinc/74/38/79/948743879.db2.gz NLSRXBHXWQNQNP-KBPBESRZSA-N -1 1 391.439 1.278 20 0 GDADMM CC(C)c1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nn[n-]n3)cn2)nc1 ZINC001574415988 948743886 /nfs/dbraw/zinc/74/38/86/948743886.db2.gz NLSRXBHXWQNQNP-KBPBESRZSA-N -1 1 391.439 1.278 20 0 GDADMM CC(C)[C@H](F)C(=O)N1CCC[C@H](CN(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574075636 948746059 /nfs/dbraw/zinc/74/60/59/948746059.db2.gz XPTFLTFCSQIPNF-OCCSQVGLSA-N -1 1 376.440 1.326 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@H](C)[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)cn1 ZINC001574416498 948749090 /nfs/dbraw/zinc/74/90/90/948749090.db2.gz VPKYTGIAZSTZFN-NWDGAFQWSA-N -1 1 381.444 1.794 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@H](C)[C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)cn1 ZINC001574416498 948749100 /nfs/dbraw/zinc/74/91/00/948749100.db2.gz VPKYTGIAZSTZFN-NWDGAFQWSA-N -1 1 381.444 1.794 20 0 GDADMM CC(C)c1ccc(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)nn3)CC2)cn1 ZINC001574416482 948750583 /nfs/dbraw/zinc/75/05/83/948750583.db2.gz VEFGFGCRHSRVGE-UHFFFAOYSA-N -1 1 379.428 1.550 20 0 GDADMM CC(C)c1ccc(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)nn3)CC2)cn1 ZINC001574416482 948750593 /nfs/dbraw/zinc/75/05/93/948750593.db2.gz VEFGFGCRHSRVGE-UHFFFAOYSA-N -1 1 379.428 1.550 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@H]2CCCCN2c2nccnc2-c2nnn[n-]2)CC1 ZINC001575222238 948755644 /nfs/dbraw/zinc/75/56/44/948755644.db2.gz HDYMVLLRDRNSPJ-LLVKDONJSA-N -1 1 392.414 1.567 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@H]2CCCCN2c2nccnc2-c2nn[n-]n2)CC1 ZINC001575222238 948755656 /nfs/dbraw/zinc/75/56/56/948755656.db2.gz HDYMVLLRDRNSPJ-LLVKDONJSA-N -1 1 392.414 1.567 20 0 GDADMM CC(F)(F)C1(C(=O)N2CC[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001575222780 948758533 /nfs/dbraw/zinc/75/85/33/948758533.db2.gz JTOHKXVEDQYPFG-JTQLQIEISA-N -1 1 378.387 1.353 20 0 GDADMM CC(F)(F)C1(C(=O)N2CC[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001575222780 948758540 /nfs/dbraw/zinc/75/85/40/948758540.db2.gz JTOHKXVEDQYPFG-JTQLQIEISA-N -1 1 378.387 1.353 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CCCC[C@H]2Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001575223242 948760989 /nfs/dbraw/zinc/76/09/89/948760989.db2.gz LZXAKGHQDMECIG-GHMZBOCLSA-N -1 1 392.414 1.931 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CCCC[C@H]2Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001575223242 948761001 /nfs/dbraw/zinc/76/10/01/948761001.db2.gz LZXAKGHQDMECIG-GHMZBOCLSA-N -1 1 392.414 1.931 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@@H]2CCCN2c2nccnc2-c2nnn[n-]2)CC1 ZINC001575222800 948761687 /nfs/dbraw/zinc/76/16/87/948761687.db2.gz KJYHWUMGZKIPRP-JTQLQIEISA-N -1 1 378.387 1.177 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@@H]2CCCN2c2nccnc2-c2nn[n-]n2)CC1 ZINC001575222800 948761696 /nfs/dbraw/zinc/76/16/96/948761696.db2.gz KJYHWUMGZKIPRP-JTQLQIEISA-N -1 1 378.387 1.177 20 0 GDADMM CC(C)[C@@H](O)CCNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC001574079044 948764115 /nfs/dbraw/zinc/76/41/15/948764115.db2.gz IKGKRKPPXVRVSW-ZDUSSCGKSA-N -1 1 388.407 1.720 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@@H](C)CCNc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001574679287 948772639 /nfs/dbraw/zinc/77/26/39/948772639.db2.gz RXGCSFQAERSIFF-LBPRGKRZSA-N -1 1 381.444 1.796 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@@H](C)CCNc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001574679287 948772654 /nfs/dbraw/zinc/77/26/54/948772654.db2.gz RXGCSFQAERSIFF-LBPRGKRZSA-N -1 1 381.444 1.796 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)CC2)CC1 ZINC001575223942 948773417 /nfs/dbraw/zinc/77/34/17/948773417.db2.gz PYMOCKCHUOHLOU-NSHDSACASA-N -1 1 392.414 1.567 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)CC2)CC1 ZINC001575223942 948773433 /nfs/dbraw/zinc/77/34/33/948773433.db2.gz PYMOCKCHUOHLOU-NSHDSACASA-N -1 1 392.414 1.567 20 0 GDADMM CC(F)(F)C1(C(=O)NCC[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001575223997 948778039 /nfs/dbraw/zinc/77/80/39/948778039.db2.gz SISTWVRMFNTTDA-NSHDSACASA-N -1 1 392.414 1.425 20 0 GDADMM CC(F)(F)C1(C(=O)NCC[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001575223997 948778047 /nfs/dbraw/zinc/77/80/47/948778047.db2.gz SISTWVRMFNTTDA-NSHDSACASA-N -1 1 392.414 1.425 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C12CCC2 ZINC001575224260 948780618 /nfs/dbraw/zinc/78/06/18/948780618.db2.gz KZNDZRWHYZGMNH-WDEREUQCSA-N -1 1 378.387 1.541 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C12CCC2 ZINC001575224260 948780628 /nfs/dbraw/zinc/78/06/28/948780628.db2.gz KZNDZRWHYZGMNH-WDEREUQCSA-N -1 1 378.387 1.541 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@@H](C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001574679436 948782635 /nfs/dbraw/zinc/78/26/35/948782635.db2.gz VHAKEJQAOUPNCR-JTQLQIEISA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@@H](C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001574679436 948782649 /nfs/dbraw/zinc/78/26/49/948782649.db2.gz VHAKEJQAOUPNCR-JTQLQIEISA-N -1 1 387.473 1.857 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCCN(c3ccnc(-c4nn[n-]n4)n3)CC2)CC1 ZINC001575224403 948784869 /nfs/dbraw/zinc/78/48/69/948784869.db2.gz VQAPVTVICAWPND-UHFFFAOYSA-N -1 1 378.387 1.131 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCCN(c3cnc(-c4nnn[n-]4)cn3)CC2)CC1 ZINC001575224828 948794139 /nfs/dbraw/zinc/79/41/39/948794139.db2.gz ZXQWPSSUOIJKAI-UHFFFAOYSA-N -1 1 378.387 1.131 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCCN(c3cnc(-c4nn[n-]n4)cn3)CC2)CC1 ZINC001575224828 948794153 /nfs/dbraw/zinc/79/41/53/948794153.db2.gz ZXQWPSSUOIJKAI-UHFFFAOYSA-N -1 1 378.387 1.131 20 0 GDADMM CC(F)(F)CC(=O)NC1CC2(C1)CC(Nc1ccc(-c3nnn[n-]3)nn1)C2 ZINC001575224834 948794896 /nfs/dbraw/zinc/79/48/96/948794896.db2.gz SAKDIPJKTYJVMR-UHFFFAOYSA-N -1 1 378.387 1.541 20 0 GDADMM CC(F)(F)CC(=O)NC1CC2(C1)CC(Nc1ccc(-c3nn[n-]n3)nn1)C2 ZINC001575224834 948794915 /nfs/dbraw/zinc/79/49/15/948794915.db2.gz SAKDIPJKTYJVMR-UHFFFAOYSA-N -1 1 378.387 1.541 20 0 GDADMM C[C@H](C(=O)Nc1cccc(OC(F)(F)F)c1-c1nn[n-]n1)S(C)(=O)=O ZINC001573756155 948803240 /nfs/dbraw/zinc/80/32/40/948803240.db2.gz MLFGLXNBNYGDFJ-ZCFIWIBFSA-N -1 1 379.320 1.137 20 0 GDADMM CC(C)[C@H](F)C(=O)NC[C@H]1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574080772 948803858 /nfs/dbraw/zinc/80/38/58/948803858.db2.gz NFZDDSDMZSEPCJ-XEZPLFJOSA-N -1 1 390.467 1.985 20 0 GDADMM CC(C)[C@H](F)C(=O)NC[C@H]1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574080772 948803872 /nfs/dbraw/zinc/80/38/72/948803872.db2.gz NFZDDSDMZSEPCJ-XEZPLFJOSA-N -1 1 390.467 1.985 20 0 GDADMM CC(C)c1ccoc1C(=O)N[C@H]1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574420882 948808709 /nfs/dbraw/zinc/80/87/09/948808709.db2.gz CXFSHSGJKFAVBY-HAQNSBGRSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1ccoc1C(=O)N[C@H]1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574420882 948808726 /nfs/dbraw/zinc/80/87/26/948808726.db2.gz CXFSHSGJKFAVBY-HAQNSBGRSA-N -1 1 382.428 1.994 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccc2c(c1)ncn2C ZINC001574680949 948813219 /nfs/dbraw/zinc/81/32/19/948813219.db2.gz KPGWASUXAFLYDF-LLVKDONJSA-N -1 1 392.427 1.164 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccc2c(c1)ncn2C ZINC001574680949 948813239 /nfs/dbraw/zinc/81/32/39/948813239.db2.gz KPGWASUXAFLYDF-LLVKDONJSA-N -1 1 392.427 1.164 20 0 GDADMM CC(C)c1ccoc1C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H]1C ZINC001574421307 948813994 /nfs/dbraw/zinc/81/39/94/948813994.db2.gz IUEBQDLPOXLHSK-YPMHNXCESA-N -1 1 382.428 1.770 20 0 GDADMM CC(C)c1ccoc1C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H]1C ZINC001574421307 948814011 /nfs/dbraw/zinc/81/40/11/948814011.db2.gz IUEBQDLPOXLHSK-YPMHNXCESA-N -1 1 382.428 1.770 20 0 GDADMM CC(C)c1ccoc1C(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574421140 948816154 /nfs/dbraw/zinc/81/61/54/948816154.db2.gz HYDNKJMRQHZRBM-DGCLKSJQSA-N -1 1 382.428 1.946 20 0 GDADMM CC(C)c1ccoc1C(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574421140 948816171 /nfs/dbraw/zinc/81/61/71/948816171.db2.gz HYDNKJMRQHZRBM-DGCLKSJQSA-N -1 1 382.428 1.946 20 0 GDADMM CC(C)c1ccoc1C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574421813 948824624 /nfs/dbraw/zinc/82/46/24/948824624.db2.gz QESGWZZJGXEYDJ-TXEJJXNPSA-N -1 1 382.428 1.416 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001575227325 948824743 /nfs/dbraw/zinc/82/47/43/948824743.db2.gz SYHFAOUZRXTQOD-INIZCTEOSA-N -1 1 378.387 1.131 20 0 GDADMM CC(C)[C@@H](F)C(=O)NC[C@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001574081262 948824647 /nfs/dbraw/zinc/82/46/47/948824647.db2.gz RIGKVCMOMNSFIU-MGPQQGTHSA-N -1 1 390.467 1.985 20 0 GDADMM CC(C)[C@@H](F)C(=O)NC[C@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001574081262 948824667 /nfs/dbraw/zinc/82/46/67/948824667.db2.gz RIGKVCMOMNSFIU-MGPQQGTHSA-N -1 1 390.467 1.985 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001575227325 948824763 /nfs/dbraw/zinc/82/47/63/948824763.db2.gz SYHFAOUZRXTQOD-INIZCTEOSA-N -1 1 378.387 1.131 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1csc(C2CC2)n1 ZINC001574682597 948830299 /nfs/dbraw/zinc/83/02/99/948830299.db2.gz QVNZMUSITVRAEL-SECBINFHSA-N -1 1 385.457 1.611 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1csc(C2CC2)n1 ZINC001574682597 948830310 /nfs/dbraw/zinc/83/03/10/948830310.db2.gz QVNZMUSITVRAEL-SECBINFHSA-N -1 1 385.457 1.611 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575227376 948831085 /nfs/dbraw/zinc/83/10/85/948831085.db2.gz VLWHNGAAPZWGLN-USWWRNFRSA-N -1 1 390.398 1.318 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575227376 948831110 /nfs/dbraw/zinc/83/11/10/948831110.db2.gz VLWHNGAAPZWGLN-USWWRNFRSA-N -1 1 390.398 1.318 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)C1CCC1 ZINC001573761348 948840042 /nfs/dbraw/zinc/84/00/42/948840042.db2.gz HNHYNOLTDSOXMR-OKILXGFUSA-N -1 1 382.472 1.663 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)C1CCC1 ZINC001573761348 948840063 /nfs/dbraw/zinc/84/00/63/948840063.db2.gz HNHYNOLTDSOXMR-OKILXGFUSA-N -1 1 382.472 1.663 20 0 GDADMM CC(F)(F)CC(=O)N[C@H]1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575231944 948870857 /nfs/dbraw/zinc/87/08/57/948870857.db2.gz BIRZECZLQMYEME-QWRGUYRKSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CC(=O)N[C@H]1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575231944 948870881 /nfs/dbraw/zinc/87/08/81/948870881.db2.gz BIRZECZLQMYEME-QWRGUYRKSA-N -1 1 380.403 1.789 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)c1cncnc1 ZINC001574684511 948871477 /nfs/dbraw/zinc/87/14/77/948871477.db2.gz HODSPORWHHMLIT-SSDOTTSWSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)c1cncnc1 ZINC001574684511 948871497 /nfs/dbraw/zinc/87/14/97/948871497.db2.gz HODSPORWHHMLIT-SSDOTTSWSA-N -1 1 379.837 1.387 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)[C@H]1CCCCO1 ZINC001573763930 948876746 /nfs/dbraw/zinc/87/67/46/948876746.db2.gz ITUGTVKVKUIOQL-TZMCWYRMSA-N -1 1 386.460 1.265 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)[C@H]1CCCCO1 ZINC001573763930 948876771 /nfs/dbraw/zinc/87/67/71/948876771.db2.gz ITUGTVKVKUIOQL-TZMCWYRMSA-N -1 1 386.460 1.265 20 0 GDADMM CC(F)(F)CC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)CC1(C)C ZINC001575232635 948878299 /nfs/dbraw/zinc/87/82/99/948878299.db2.gz FXAVYQWVGDDZTL-JTQLQIEISA-N -1 1 380.403 1.423 20 0 GDADMM CC(F)(F)CC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)CC1(C)C ZINC001575232635 948878316 /nfs/dbraw/zinc/87/83/16/948878316.db2.gz FXAVYQWVGDDZTL-JTQLQIEISA-N -1 1 380.403 1.423 20 0 GDADMM CC(C)(C(=O)N1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C(F)F ZINC001573763946 948883070 /nfs/dbraw/zinc/88/30/70/948883070.db2.gz JDGNCLUWCDGPAQ-JTQLQIEISA-N -1 1 380.403 1.599 20 0 GDADMM CC(C)(C(=O)N1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C(F)F ZINC001573763946 948883082 /nfs/dbraw/zinc/88/30/82/948883082.db2.gz JDGNCLUWCDGPAQ-JTQLQIEISA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)c1ccncc1 ZINC001574684782 948886764 /nfs/dbraw/zinc/88/67/64/948886764.db2.gz MQEAJMPNBNMZCF-MRVPVSSYSA-N -1 1 378.849 1.992 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001575234214 948894506 /nfs/dbraw/zinc/89/45/06/948894506.db2.gz PQJLNZAPKDULHO-QJPTWQEYSA-N -1 1 392.414 1.423 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001575234214 948894523 /nfs/dbraw/zinc/89/45/23/948894523.db2.gz PQJLNZAPKDULHO-QJPTWQEYSA-N -1 1 392.414 1.423 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@](C)(CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001575234423 948901398 /nfs/dbraw/zinc/90/13/98/948901398.db2.gz CLMVVBPLDRZWBH-HNNXBMFYSA-N -1 1 380.403 1.211 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)c1cncn1C ZINC001574685207 948902362 /nfs/dbraw/zinc/90/23/62/948902362.db2.gz SSHBMWUZOVXYPO-ZETCQYMHSA-N -1 1 381.853 1.331 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)c1cncn1C ZINC001574685207 948902387 /nfs/dbraw/zinc/90/23/87/948902387.db2.gz SSHBMWUZOVXYPO-ZETCQYMHSA-N -1 1 381.853 1.331 20 0 GDADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)c1cnccn1 ZINC001574685239 948902765 /nfs/dbraw/zinc/90/27/65/948902765.db2.gz UCCAOGQIIISLPW-ZETCQYMHSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)c1cnns1 ZINC001574685244 948904457 /nfs/dbraw/zinc/90/44/57/948904457.db2.gz UDDCOQXKDSKFEZ-RXMQYKEDSA-N -1 1 385.866 1.449 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)c1cnns1 ZINC001574685244 948904463 /nfs/dbraw/zinc/90/44/63/948904463.db2.gz UDDCOQXKDSKFEZ-RXMQYKEDSA-N -1 1 385.866 1.449 20 0 GDADMM CC(C)(C(=O)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C(F)(F)F ZINC001573765458 948910188 /nfs/dbraw/zinc/91/01/88/948910188.db2.gz HPSWJKZRUNGOEN-UHFFFAOYSA-N -1 1 384.366 1.284 20 0 GDADMM CC(C)(C(=O)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C(F)(F)F ZINC001573765458 948910198 /nfs/dbraw/zinc/91/01/98/948910198.db2.gz HPSWJKZRUNGOEN-UHFFFAOYSA-N -1 1 384.366 1.284 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)s1 ZINC001574427753 948910684 /nfs/dbraw/zinc/91/06/84/948910684.db2.gz NFSMSAZRAPVSRQ-SNVBAGLBSA-N -1 1 385.457 1.245 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)s1 ZINC001574427753 948910698 /nfs/dbraw/zinc/91/06/98/948910698.db2.gz NFSMSAZRAPVSRQ-SNVBAGLBSA-N -1 1 385.457 1.245 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@H]2C1 ZINC001575235169 948911434 /nfs/dbraw/zinc/91/14/34/948911434.db2.gz TYWVJGJEVZFDAE-SDDRHHMPSA-N -1 1 392.414 1.423 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@H]2C1 ZINC001575235169 948911450 /nfs/dbraw/zinc/91/14/50/948911450.db2.gz TYWVJGJEVZFDAE-SDDRHHMPSA-N -1 1 392.414 1.423 20 0 GDADMM CC(C)[C@]1(C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001574088232 948912801 /nfs/dbraw/zinc/91/28/01/948912801.db2.gz DWSOJSJGNYDNMX-LJPSSGMGSA-N -1 1 382.472 1.519 20 0 GDADMM CC(C)[C@]1(C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001574088232 948912817 /nfs/dbraw/zinc/91/28/17/948912817.db2.gz DWSOJSJGNYDNMX-LJPSSGMGSA-N -1 1 382.472 1.519 20 0 GDADMM C[C@@H](CNC(=O)CCn1cccc1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574923220 948938953 /nfs/dbraw/zinc/93/89/53/948938953.db2.gz HSSOIXOOMNXIIM-VIFPVBQESA-N -1 1 380.865 1.785 20 0 GDADMM C[C@@H](CNC(=O)CCn1ccnc1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574923194 948939899 /nfs/dbraw/zinc/93/98/99/948939899.db2.gz HCOZFHINUZTZIC-QMMMGPOBSA-N -1 1 381.853 1.180 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001573771314 948940067 /nfs/dbraw/zinc/94/00/67/948940067.db2.gz FXOTZXJCCLNCLB-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001573771314 948940080 /nfs/dbraw/zinc/94/00/80/948940080.db2.gz FXOTZXJCCLNCLB-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM CC(F)(F)CCC(=O)NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575237311 948943628 /nfs/dbraw/zinc/94/36/28/948943628.db2.gz DSDAFEUDJQXOPZ-UHFFFAOYSA-N -1 1 380.403 1.425 20 0 GDADMM CC(C)[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CCO1 ZINC001574089190 948948891 /nfs/dbraw/zinc/94/88/91/948948891.db2.gz DJYMSAIQWANZRJ-PWNZVWSESA-N -1 1 386.460 1.167 20 0 GDADMM CC(C)[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CCO1 ZINC001574089190 948948904 /nfs/dbraw/zinc/94/89/04/948948904.db2.gz DJYMSAIQWANZRJ-PWNZVWSESA-N -1 1 386.460 1.167 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575237964 948952289 /nfs/dbraw/zinc/95/22/89/948952289.db2.gz JWVIHPLKJZLTHI-WDEREUQCSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575237964 948952303 /nfs/dbraw/zinc/95/23/03/948952303.db2.gz JWVIHPLKJZLTHI-WDEREUQCSA-N -1 1 380.403 1.789 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@H](C)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574433810 948964312 /nfs/dbraw/zinc/96/43/12/948964312.db2.gz RGONMTNAIAMAEV-VHSXEESVSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@H](C)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574433810 948964322 /nfs/dbraw/zinc/96/43/22/948964322.db2.gz RGONMTNAIAMAEV-VHSXEESVSA-N -1 1 387.473 1.856 20 0 GDADMM CC(F)(F)CCC(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCCC1 ZINC001575239934 948966950 /nfs/dbraw/zinc/96/69/50/948966950.db2.gz YEYDXMQYCCKKDZ-UHFFFAOYSA-N -1 1 380.403 1.933 20 0 GDADMM CC(F)(F)CCC(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCCC1 ZINC001575239934 948966959 /nfs/dbraw/zinc/96/69/59/948966959.db2.gz YEYDXMQYCCKKDZ-UHFFFAOYSA-N -1 1 380.403 1.933 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575239880 948967923 /nfs/dbraw/zinc/96/79/23/948967923.db2.gz XJAPFYZJMWCPDL-GHMZBOCLSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575239880 948967936 /nfs/dbraw/zinc/96/79/36/948967936.db2.gz XJAPFYZJMWCPDL-GHMZBOCLSA-N -1 1 380.403 1.789 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)C(F)F ZINC001573772847 948971323 /nfs/dbraw/zinc/97/13/23/948971323.db2.gz WYWBXQNDMPYTQS-ZJUUUORDSA-N -1 1 380.403 1.067 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)NC1(CNc2cnc(-c3nnn[n-]3)cn2)CCOCC1 ZINC001574090038 948977102 /nfs/dbraw/zinc/97/71/02/948977102.db2.gz HKLVIRVIYWTPNI-STQMWFEESA-N -1 1 386.460 1.026 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)NC1(CNc2cnc(-c3nn[n-]n3)cn2)CCOCC1 ZINC001574090038 948977118 /nfs/dbraw/zinc/97/71/18/948977118.db2.gz HKLVIRVIYWTPNI-STQMWFEESA-N -1 1 386.460 1.026 20 0 GDADMM CC(C)[C@@H]1C[C@H](C(=O)NCC=CCNc2nccnc2-c2nnn[n-]2)CCO1 ZINC001574090815 948998450 /nfs/dbraw/zinc/99/84/50/948998450.db2.gz JHQGYLSTVJOFFH-JKWAOEONSA-N -1 1 386.460 1.192 20 0 GDADMM CC(C)[C@@H]1C[C@H](C(=O)NCC=CCNc2nccnc2-c2nn[n-]n2)CCO1 ZINC001574090815 948998460 /nfs/dbraw/zinc/99/84/60/948998460.db2.gz JHQGYLSTVJOFFH-JKWAOEONSA-N -1 1 386.460 1.192 20 0 GDADMM CC(C)[C@@]1(C)C[C@H]1C(=O)NC1(CNc2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001574092043 949042030 /nfs/dbraw/zinc/04/20/30/949042030.db2.gz QVFVQJFCAPGCRH-SCLBCKFNSA-N -1 1 384.488 1.602 20 0 GDADMM CC(C)(C(=O)NC[C@@H](CO)Nc1snc(Cl)c1-c1nnn[n-]1)C1CC1 ZINC001573775463 949042303 /nfs/dbraw/zinc/04/23/03/949042303.db2.gz XAYXGGYTHVJXDP-QMMMGPOBSA-N -1 1 385.881 1.302 20 0 GDADMM CC(C)(C(=O)NC[C@@H](CO)Nc1snc(Cl)c1-c1nn[n-]n1)C1CC1 ZINC001573775463 949042327 /nfs/dbraw/zinc/04/23/27/949042327.db2.gz XAYXGGYTHVJXDP-QMMMGPOBSA-N -1 1 385.881 1.302 20 0 GDADMM CC(C)c1occc1C(=O)N(C)CCCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574441462 949057706 /nfs/dbraw/zinc/05/77/06/949057706.db2.gz LIAIADPCAMDLNQ-UHFFFAOYSA-N -1 1 384.444 1.972 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)[C@]12C[C@H]1COC2 ZINC001574693726 949061710 /nfs/dbraw/zinc/06/17/10/949061710.db2.gz IAZLJWYENHVTJV-KXEKKFMESA-N -1 1 383.865 1.320 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@]12C[C@H]1COC2 ZINC001574693726 949061729 /nfs/dbraw/zinc/06/17/29/949061729.db2.gz IAZLJWYENHVTJV-KXEKKFMESA-N -1 1 383.865 1.320 20 0 GDADMM CC(C)c1occc1C(=O)N1C[C@@H](C)[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574441678 949065214 /nfs/dbraw/zinc/06/52/14/949065214.db2.gz RZOPAKQRPPARPH-RISCZKNCSA-N -1 1 382.428 1.946 20 0 GDADMM CC(C)c1occc1C(=O)N1C[C@@H](C)[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574441678 949065232 /nfs/dbraw/zinc/06/52/32/949065232.db2.gz RZOPAKQRPPARPH-RISCZKNCSA-N -1 1 382.428 1.946 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)c1ccncc1 ZINC001574694112 949070305 /nfs/dbraw/zinc/07/03/05/949070305.db2.gz LDQSKBALMROPOG-MRVPVSSYSA-N -1 1 378.849 1.992 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)c1ccncc1 ZINC001574694112 949070326 /nfs/dbraw/zinc/07/03/26/949070326.db2.gz LDQSKBALMROPOG-MRVPVSSYSA-N -1 1 378.849 1.992 20 0 GDADMM C[C@@H](CN(C)C(=O)C(C)(C)c1ccccc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574694363 949074787 /nfs/dbraw/zinc/07/47/87/949074787.db2.gz OBGCVAMOFUMBLW-ZDUSSCGKSA-N -1 1 380.456 1.893 20 0 GDADMM C[C@@H](CN(C)C(=O)C(C)(C)c1ccccc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574694363 949074807 /nfs/dbraw/zinc/07/48/07/949074807.db2.gz OBGCVAMOFUMBLW-ZDUSSCGKSA-N -1 1 380.456 1.893 20 0 GDADMM CC(C)c1occc1C(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574441790 949077348 /nfs/dbraw/zinc/07/73/48/949077348.db2.gz XFPIENGQAGTKQO-GFCCVEGCSA-N -1 1 382.428 1.724 20 0 GDADMM CC(C)c1nocc1C(=O)N1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574441981 949084567 /nfs/dbraw/zinc/08/45/67/949084567.db2.gz HUXGVWNKMWRKMG-LLVKDONJSA-N -1 1 383.416 1.342 20 0 GDADMM CC(C)c1nocc1C(=O)N1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574441981 949084590 /nfs/dbraw/zinc/08/45/90/949084590.db2.gz HUXGVWNKMWRKMG-LLVKDONJSA-N -1 1 383.416 1.342 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001574442014 949086501 /nfs/dbraw/zinc/08/65/01/949086501.db2.gz JDUHNZJHAAXMLL-GFCCVEGCSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001574442014 949086522 /nfs/dbraw/zinc/08/65/22/949086522.db2.gz JDUHNZJHAAXMLL-GFCCVEGCSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)(C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1)c1ccccc1 ZINC001573780349 949088538 /nfs/dbraw/zinc/08/85/38/949088538.db2.gz WQNBELPRYGOHDU-UHFFFAOYSA-N -1 1 378.440 1.695 20 0 GDADMM CC(C)(C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1)c1ccccc1 ZINC001573780349 949088567 /nfs/dbraw/zinc/08/85/67/949088567.db2.gz WQNBELPRYGOHDU-UHFFFAOYSA-N -1 1 378.440 1.695 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001573780298 949092090 /nfs/dbraw/zinc/09/20/90/949092090.db2.gz VMNCVYPVTZODRI-CQSZACIVSA-N -1 1 392.467 1.577 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)c1ccn(C)c1 ZINC001574694794 949097981 /nfs/dbraw/zinc/09/79/81/949097981.db2.gz WLHZYFFUBVEYQP-QMMMGPOBSA-N -1 1 380.865 1.936 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)c1ccn(C)c1 ZINC001574694794 949097999 /nfs/dbraw/zinc/09/79/99/949097999.db2.gz WLHZYFFUBVEYQP-QMMMGPOBSA-N -1 1 380.865 1.936 20 0 GDADMM C[C@@H](CN(C)C(=O)C(C)(C)CC(F)(F)F)Nc1nccnc1-c1nnn[n-]1 ZINC001574694947 949098575 /nfs/dbraw/zinc/09/85/75/949098575.db2.gz XQXMEOWNYZJCNU-VIFPVBQESA-N -1 1 386.382 1.894 20 0 GDADMM C[C@@H](CN(C)C(=O)C(C)(C)CC(F)(F)F)Nc1nccnc1-c1nn[n-]n1 ZINC001574694947 949098593 /nfs/dbraw/zinc/09/85/93/949098593.db2.gz XQXMEOWNYZJCNU-VIFPVBQESA-N -1 1 386.382 1.894 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cccc2c1CCC2 ZINC001574695188 949103591 /nfs/dbraw/zinc/10/35/91/949103591.db2.gz DTJPKNGSBHDUFA-GFCCVEGCSA-N -1 1 378.440 1.766 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cccc2c1CCC2 ZINC001574695188 949103603 /nfs/dbraw/zinc/10/36/03/949103603.db2.gz DTJPKNGSBHDUFA-GFCCVEGCSA-N -1 1 378.440 1.766 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1coc(C(C)(C)C)n1 ZINC001574695388 949107027 /nfs/dbraw/zinc/10/70/27/949107027.db2.gz GUUMGZMVFDIDFS-JTQLQIEISA-N -1 1 385.432 1.563 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1coc(C(C)(C)C)n1 ZINC001574695388 949107042 /nfs/dbraw/zinc/10/70/42/949107042.db2.gz GUUMGZMVFDIDFS-JTQLQIEISA-N -1 1 385.432 1.563 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)CC(F)(F)F)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575250086 949109006 /nfs/dbraw/zinc/10/90/06/949109006.db2.gz DCPMUPJPDQTYIH-DTWKUNHWSA-N -1 1 386.382 1.940 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)CC(F)(F)F)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575250086 949109020 /nfs/dbraw/zinc/10/90/20/949109020.db2.gz DCPMUPJPDQTYIH-DTWKUNHWSA-N -1 1 386.382 1.940 20 0 GDADMM C[C@H](CNC(=O)COCC1CC1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001574930786 949111440 /nfs/dbraw/zinc/11/14/40/949111440.db2.gz MNJBYUYJAVULRP-MRVPVSSYSA-N -1 1 385.881 1.344 20 0 GDADMM C[C@H](CNC(=O)COCC1CC1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001574930786 949111432 /nfs/dbraw/zinc/11/14/32/949111432.db2.gz MNJBYUYJAVULRP-MRVPVSSYSA-N -1 1 385.881 1.344 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)COc1ccc(F)cc1 ZINC001574696398 949128576 /nfs/dbraw/zinc/12/85/76/949128576.db2.gz PMSVUPHBXDIESP-LLVKDONJSA-N -1 1 386.391 1.182 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)COc1ccc(F)cc1 ZINC001574696398 949128590 /nfs/dbraw/zinc/12/85/90/949128590.db2.gz PMSVUPHBXDIESP-LLVKDONJSA-N -1 1 386.391 1.182 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cnc2cnccc2c1 ZINC001574696447 949131613 /nfs/dbraw/zinc/13/16/13/949131613.db2.gz QTCUGPACZZMDKP-NSHDSACASA-N -1 1 390.411 1.220 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cnc2cnccc2c1 ZINC001574696447 949131634 /nfs/dbraw/zinc/13/16/34/949131634.db2.gz QTCUGPACZZMDKP-NSHDSACASA-N -1 1 390.411 1.220 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001574094447 949136871 /nfs/dbraw/zinc/13/68/71/949136871.db2.gz WCGLCFAPWUJCHQ-LXTVHRRPSA-N -1 1 382.472 1.519 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001574094447 949136888 /nfs/dbraw/zinc/13/68/88/949136888.db2.gz WCGLCFAPWUJCHQ-LXTVHRRPSA-N -1 1 382.472 1.519 20 0 GDADMM CC(C)c1ocnc1C(=O)N(C)C1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574446832 949140810 /nfs/dbraw/zinc/14/08/10/949140810.db2.gz XWHAXTDVIFUHDA-UHFFFAOYSA-N -1 1 383.416 1.483 20 0 GDADMM CC(C)c1ocnc1C(=O)N(C)C1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574446832 949140831 /nfs/dbraw/zinc/14/08/31/949140831.db2.gz XWHAXTDVIFUHDA-UHFFFAOYSA-N -1 1 383.416 1.483 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001574696856 949141113 /nfs/dbraw/zinc/14/11/13/949141113.db2.gz VXXBRXJZWQQNJR-KGYLQXTDSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001574696856 949141125 /nfs/dbraw/zinc/14/11/25/949141125.db2.gz VXXBRXJZWQQNJR-KGYLQXTDSA-N -1 1 384.469 1.829 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)NC1(CNc2cncc(-c3nnn[n-]3)n2)CCOCC1 ZINC001574094968 949143512 /nfs/dbraw/zinc/14/35/12/949143512.db2.gz WZIPZZHHNQGFQR-OLZOCXBDSA-N -1 1 386.460 1.026 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)NC1(CNc2cncc(-c3nn[n-]n3)n2)CCOCC1 ZINC001574094968 949143525 /nfs/dbraw/zinc/14/35/25/949143525.db2.gz WZIPZZHHNQGFQR-OLZOCXBDSA-N -1 1 386.460 1.026 20 0 GDADMM CC[C@]1(C(=O)[O-])CCCN(C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC001589596092 949146195 /nfs/dbraw/zinc/14/61/95/949146195.db2.gz IUUHNLLZIXDOEO-SFHVURJKSA-N -1 1 375.450 1.789 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cc2ccccc2n1C ZINC001574697021 949146763 /nfs/dbraw/zinc/14/67/63/949146763.db2.gz XFEKOIVRBTWZMU-LBPRGKRZSA-N -1 1 391.439 1.769 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cc2ccccc2n1C ZINC001574697021 949146770 /nfs/dbraw/zinc/14/67/70/949146770.db2.gz XFEKOIVRBTWZMU-LBPRGKRZSA-N -1 1 391.439 1.769 20 0 GDADMM CC(C)c1ocnc1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C ZINC001574447313 949157315 /nfs/dbraw/zinc/15/73/15/949157315.db2.gz KRLQWIKVBDHFTL-MNOVXSKESA-N -1 1 383.416 1.165 20 0 GDADMM CC(C)c1ocnc1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C ZINC001574447313 949157327 /nfs/dbraw/zinc/15/73/27/949157327.db2.gz KRLQWIKVBDHFTL-MNOVXSKESA-N -1 1 383.416 1.165 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)c1ccccc1)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575252263 949159018 /nfs/dbraw/zinc/15/90/18/949159018.db2.gz QDICSFBVFJRLNA-CHWSQXEVSA-N -1 1 380.456 1.940 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)c1ccccc1)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575252263 949158999 /nfs/dbraw/zinc/15/89/99/949158999.db2.gz QDICSFBVFJRLNA-CHWSQXEVSA-N -1 1 380.456 1.940 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1)C(F)F ZINC001573787137 949166980 /nfs/dbraw/zinc/16/69/80/949166980.db2.gz MYSGSXLQLWPBLP-UTLUCORTSA-N -1 1 378.387 1.174 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1)C(F)F ZINC001573787137 949166995 /nfs/dbraw/zinc/16/69/95/949166995.db2.gz MYSGSXLQLWPBLP-UTLUCORTSA-N -1 1 378.387 1.174 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1 ZINC001573787184 949168126 /nfs/dbraw/zinc/16/81/26/949168126.db2.gz QKPBFQHXQNLWLW-HNNXBMFYSA-N -1 1 392.467 1.720 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1 ZINC001573787184 949168131 /nfs/dbraw/zinc/16/81/31/949168131.db2.gz QKPBFQHXQNLWLW-HNNXBMFYSA-N -1 1 392.467 1.720 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H](F)Cc1ccccc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574698169 949179206 /nfs/dbraw/zinc/17/92/06/949179206.db2.gz GXFZRNAXCOEBDJ-GXTWGEPZSA-N -1 1 384.419 1.496 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H](F)Cc1ccccc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574698169 949179217 /nfs/dbraw/zinc/17/92/17/949179217.db2.gz GXFZRNAXCOEBDJ-GXTWGEPZSA-N -1 1 384.419 1.496 20 0 GDADMM CC(C)CC(=O)N(C)C[C@@H](O)CN(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574099705 949181461 /nfs/dbraw/zinc/18/14/61/949181461.db2.gz NVMMQTUDMWGBQA-SECBINFHSA-N -1 1 387.897 1.278 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001573787589 949184180 /nfs/dbraw/zinc/18/41/80/949184180.db2.gz YESPUFRSDFTJPW-KYZUINATSA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001573787589 949184198 /nfs/dbraw/zinc/18/41/98/949184198.db2.gz YESPUFRSDFTJPW-KYZUINATSA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)c1oncc1C(=O)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574448254 949184886 /nfs/dbraw/zinc/18/48/86/949184886.db2.gz HIYOJGQNRBQFGM-UHFFFAOYSA-N -1 1 383.416 1.121 20 0 GDADMM CC(C)c1oncc1C(=O)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574448254 949184910 /nfs/dbraw/zinc/18/49/10/949184910.db2.gz HIYOJGQNRBQFGM-UHFFFAOYSA-N -1 1 383.416 1.121 20 0 GDADMM CC(C)[C@H]1CN(c2nnc(C3CC3)n2Cc2ccc(-c3nnn[n-]3)o2)CCO1 ZINC001574100270 949189700 /nfs/dbraw/zinc/18/97/00/949189700.db2.gz SPXKFTLVIPENMN-OAHLLOKOSA-N -1 1 384.444 1.838 20 0 GDADMM CC(C)[C@H]1CN(c2nnc(C3CC3)n2Cc2ccc(-c3nn[n-]n3)o2)CCO1 ZINC001574100270 949189705 /nfs/dbraw/zinc/18/97/05/949189705.db2.gz SPXKFTLVIPENMN-OAHLLOKOSA-N -1 1 384.444 1.838 20 0 GDADMM C[C@H](CNC(=O)Cc1c(F)cccc1F)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574935341 949194937 /nfs/dbraw/zinc/19/49/37/949194937.db2.gz ALNBDMNSECWMNR-JTQLQIEISA-N -1 1 388.382 1.342 20 0 GDADMM C[C@H](CNC(=O)Cc1c(F)cccc1F)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574935341 949194951 /nfs/dbraw/zinc/19/49/51/949194951.db2.gz ALNBDMNSECWMNR-JTQLQIEISA-N -1 1 388.382 1.342 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(Cl)cc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574936093 949209779 /nfs/dbraw/zinc/20/97/79/949209779.db2.gz HGLDYCKMWKHVPR-LLVKDONJSA-N -1 1 386.847 1.494 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(Cl)cc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574936093 949209802 /nfs/dbraw/zinc/20/98/02/949209802.db2.gz HGLDYCKMWKHVPR-LLVKDONJSA-N -1 1 386.847 1.494 20 0 GDADMM C[C@H]1CCC[C@]1(C)C(=O)NCC1=CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576151256 949213447 /nfs/dbraw/zinc/21/34/47/949213447.db2.gz FJPQOKYRFOUJMY-DJJJIMSYSA-N -1 1 382.472 1.736 20 0 GDADMM C[C@H]1CCC[C@]1(C)C(=O)NCC1=CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576151256 949213470 /nfs/dbraw/zinc/21/34/70/949213470.db2.gz FJPQOKYRFOUJMY-DJJJIMSYSA-N -1 1 382.472 1.736 20 0 GDADMM C[C@@H]1CCC[C@H](C(=O)N2C[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]3C2)C1 ZINC001576151677 949230269 /nfs/dbraw/zinc/23/02/69/949230269.db2.gz IANVOISOYDTTFM-BARDWOONSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H]1CCC[C@H](C(=O)N2C[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]3C2)C1 ZINC001576151677 949230284 /nfs/dbraw/zinc/23/02/84/949230284.db2.gz IANVOISOYDTTFM-BARDWOONSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(Cl)s1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574937699 949230444 /nfs/dbraw/zinc/23/04/44/949230444.db2.gz PWIZPJXEPJMCDC-MRVPVSSYSA-N -1 1 378.849 1.531 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(Cl)s1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574937699 949230461 /nfs/dbraw/zinc/23/04/61/949230461.db2.gz PWIZPJXEPJMCDC-MRVPVSSYSA-N -1 1 378.849 1.531 20 0 GDADMM C[C@@H](CNC(=O)Cc1c(F)cccc1F)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574937782 949231050 /nfs/dbraw/zinc/23/10/50/949231050.db2.gz QMCLRYAXHLGBPO-SNVBAGLBSA-N -1 1 388.382 1.342 20 0 GDADMM C[C@@H](CNC(=O)Cc1c(F)cccc1F)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574937782 949231065 /nfs/dbraw/zinc/23/10/65/949231065.db2.gz QMCLRYAXHLGBPO-SNVBAGLBSA-N -1 1 388.382 1.342 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(Cl)cc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574938128 949234117 /nfs/dbraw/zinc/23/41/17/949234117.db2.gz SNNOTWVTAAZCTC-LLVKDONJSA-N -1 1 386.847 1.494 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(Cl)cc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574938128 949234148 /nfs/dbraw/zinc/23/41/48/949234148.db2.gz SNNOTWVTAAZCTC-LLVKDONJSA-N -1 1 386.847 1.494 20 0 GDADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)[C@H]2CCC2(F)F)CC1 ZINC001575856601 949249243 /nfs/dbraw/zinc/24/92/43/949249243.db2.gz IBRMPTAKWCVFCZ-SNVBAGLBSA-N -1 1 378.387 1.495 20 0 GDADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)[C@H]2CCC2(F)F)CC1 ZINC001575856601 949249268 /nfs/dbraw/zinc/24/92/68/949249268.db2.gz IBRMPTAKWCVFCZ-SNVBAGLBSA-N -1 1 378.387 1.495 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(Cl)c1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574940231 949258560 /nfs/dbraw/zinc/25/85/60/949258560.db2.gz CAKVTZJOLMYAKX-NSHDSACASA-N -1 1 386.847 1.494 20 0 GDADMM C[C@@H](CN(C)C(=O)C1(C(F)F)CCCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574702394 949279868 /nfs/dbraw/zinc/27/98/68/949279868.db2.gz IGVIRTPZGXUXED-JTQLQIEISA-N -1 1 380.403 1.163 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccccc1Cl)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574940882 949280951 /nfs/dbraw/zinc/28/09/51/949280951.db2.gz LPOLYZSMKCTUCF-LLVKDONJSA-N -1 1 386.847 1.717 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccccc1Cl)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574940882 949280973 /nfs/dbraw/zinc/28/09/73/949280973.db2.gz LPOLYZSMKCTUCF-LLVKDONJSA-N -1 1 386.847 1.717 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(Cl)c1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574940960 949283082 /nfs/dbraw/zinc/28/30/82/949283082.db2.gz NBUSNSNLEGGZSJ-LLVKDONJSA-N -1 1 386.847 1.494 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(Cl)c1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574940960 949283099 /nfs/dbraw/zinc/28/30/99/949283099.db2.gz NBUSNSNLEGGZSJ-LLVKDONJSA-N -1 1 386.847 1.494 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc[nH]1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001574940913 949285165 /nfs/dbraw/zinc/28/51/65/949285165.db2.gz MHEGBZHTXRIABV-QMMMGPOBSA-N -1 1 380.865 1.488 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc[nH]1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001574940913 949285187 /nfs/dbraw/zinc/28/51/87/949285187.db2.gz MHEGBZHTXRIABV-QMMMGPOBSA-N -1 1 380.865 1.488 20 0 GDADMM C[C@H]1CCC[C@@H](C(=O)N2C[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]3C2)C1 ZINC001576153357 949286020 /nfs/dbraw/zinc/28/60/20/949286020.db2.gz LZSKDQPGJSAQBK-LJISPDSOSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H](CN(C)C(=O)C1(C(F)F)CCCC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574702748 949287187 /nfs/dbraw/zinc/28/71/87/949287187.db2.gz LHHLKRGPNLWLJJ-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CN(C)C(=O)C1(C(F)F)CCCC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574702748 949287207 /nfs/dbraw/zinc/28/72/07/949287207.db2.gz LHHLKRGPNLWLJJ-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](NC(=O)C1C=CC=CC=C1)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575258427 949296288 /nfs/dbraw/zinc/29/62/88/949296288.db2.gz HGEIRFOSBUVSOL-GOEBONIOSA-N -1 1 392.467 1.676 20 0 GDADMM C[C@H](NC(=O)C1C=CC=CC=C1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575258427 949296310 /nfs/dbraw/zinc/29/63/10/949296310.db2.gz HGEIRFOSBUVSOL-GOEBONIOSA-N -1 1 392.467 1.676 20 0 GDADMM C[C@H]1CCC[C@H](C(=O)N2C[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]3C2)C1 ZINC001576153615 949297797 /nfs/dbraw/zinc/29/77/97/949297797.db2.gz NKOAMQWGCJFKDA-ZQDZILKHSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H]1CCC[C@H](C(=O)N2C[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]3C2)C1 ZINC001576153615 949297821 /nfs/dbraw/zinc/29/78/21/949297821.db2.gz NKOAMQWGCJFKDA-ZQDZILKHSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H](NC(=O)C1=COCCC1)[C@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575258487 949301840 /nfs/dbraw/zinc/30/18/40/949301840.db2.gz IABMKBGYJZOSJV-YUMQZZPRSA-N -1 1 383.865 1.976 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(Cl)c1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574941445 949306722 /nfs/dbraw/zinc/30/67/22/949306722.db2.gz QPWYFLKKBYFUQR-NSHDSACASA-N -1 1 386.847 1.494 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(Cl)c1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574941445 949306745 /nfs/dbraw/zinc/30/67/45/949306745.db2.gz QPWYFLKKBYFUQR-NSHDSACASA-N -1 1 386.847 1.494 20 0 GDADMM CC(C)n1ccc(C(=O)NCC2(Nc3cncc(-c4nnn[n-]4)n3)CCC2)n1 ZINC001574457260 949323212 /nfs/dbraw/zinc/32/32/12/949323212.db2.gz DXZXQRJUJKGVSA-UHFFFAOYSA-N -1 1 382.432 1.199 20 0 GDADMM CC(C)n1ccc(C(=O)NCC2(Nc3cncc(-c4nn[n-]n4)n3)CCC2)n1 ZINC001574457260 949323234 /nfs/dbraw/zinc/32/32/34/949323234.db2.gz DXZXQRJUJKGVSA-UHFFFAOYSA-N -1 1 382.432 1.199 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccon1 ZINC001576154162 949324763 /nfs/dbraw/zinc/32/47/63/949324763.db2.gz CGVDIDGDQUWDCM-APPDUMDISA-N -1 1 383.416 1.436 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccon1 ZINC001576154162 949324785 /nfs/dbraw/zinc/32/47/85/949324785.db2.gz CGVDIDGDQUWDCM-APPDUMDISA-N -1 1 383.416 1.436 20 0 GDADMM C[C@@H](NC(=O)C1C=CC=CC=C1)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575259462 949331041 /nfs/dbraw/zinc/33/10/41/949331041.db2.gz OTCWSJPBGGWMNF-GDBMZVCRSA-N -1 1 392.467 1.676 20 0 GDADMM C[C@@H](NC(=O)C1C=CC=CC=C1)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575259462 949331069 /nfs/dbraw/zinc/33/10/69/949331069.db2.gz OTCWSJPBGGWMNF-GDBMZVCRSA-N -1 1 392.467 1.676 20 0 GDADMM CC(C)n1ccc(C(=O)N2CCC(Nc3ccc(-c4nnn[n-]4)nn3)CC2)n1 ZINC001574458177 949338477 /nfs/dbraw/zinc/33/84/77/949338477.db2.gz QHXQORLYHMYTHK-UHFFFAOYSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1ccc(C(=O)N2CCC(Nc3ccc(-c4nn[n-]n4)nn3)CC2)n1 ZINC001574458177 949338497 /nfs/dbraw/zinc/33/84/97/949338497.db2.gz QHXQORLYHMYTHK-UHFFFAOYSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cnco1 ZINC001576154538 949344385 /nfs/dbraw/zinc/34/43/85/949344385.db2.gz DMOZUXGQMHEFTP-GTNSWQLSSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cnco1 ZINC001576154538 949344408 /nfs/dbraw/zinc/34/44/08/949344408.db2.gz DMOZUXGQMHEFTP-GTNSWQLSSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc[nH]1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574942336 949349369 /nfs/dbraw/zinc/34/93/69/949349369.db2.gz YOTFIXWNXSFMLH-QMMMGPOBSA-N -1 1 380.865 1.488 20 0 GDADMM CC(C)n1ccc(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001574460186 949372884 /nfs/dbraw/zinc/37/28/84/949372884.db2.gz RVLCFOQIGYPVBN-HAQNSBGRSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1ccc(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001574460186 949372904 /nfs/dbraw/zinc/37/29/04/949372904.db2.gz RVLCFOQIGYPVBN-HAQNSBGRSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@@H]1CCC[C@H]1CC(=O)N1CCC(N(C)c2nccnc2-c2nnn[n-]2)CC1 ZINC001576155141 949386270 /nfs/dbraw/zinc/38/62/70/949386270.db2.gz GROKFZFMBUKXKA-KGLIPLIRSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCC[C@H]1CC(=O)N1CCC(N(C)c2nccnc2-c2nn[n-]n2)CC1 ZINC001576155141 949386292 /nfs/dbraw/zinc/38/62/92/949386292.db2.gz GROKFZFMBUKXKA-KGLIPLIRSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1C(=O)Nc2cc(C(=O)N(C)c3ccc(-c4nnn[n-]4)nc3)ccc2N1C ZINC001575866308 949403208 /nfs/dbraw/zinc/40/32/08/949403208.db2.gz RLCLUIWYMHOXHH-SNVBAGLBSA-N -1 1 378.396 1.315 20 0 GDADMM C[C@@H]1C(=O)Nc2cc(C(=O)N(C)c3ccc(-c4nn[n-]n4)nc3)ccc2N1C ZINC001575866308 949403218 /nfs/dbraw/zinc/40/32/18/949403218.db2.gz RLCLUIWYMHOXHH-SNVBAGLBSA-N -1 1 378.396 1.315 20 0 GDADMM CC(C)(C)C(=O)NC[C@]1(O)CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573801607 949404254 /nfs/dbraw/zinc/40/42/54/949404254.db2.gz AYOHQQNFBXSVIA-CQSZACIVSA-N -1 1 385.881 1.080 20 0 GDADMM CC(C)(C)C(=O)NC[C@]1(O)CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573801607 949404272 /nfs/dbraw/zinc/40/42/72/949404272.db2.gz AYOHQQNFBXSVIA-CQSZACIVSA-N -1 1 385.881 1.080 20 0 GDADMM CC1(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nnn[n-]2)CCCCC1 ZINC001575528593 949404301 /nfs/dbraw/zinc/40/43/01/949404301.db2.gz YGQVIFNNMVNNBF-OKILXGFUSA-N -1 1 382.472 1.807 20 0 GDADMM CC1(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nn[n-]n2)CCCCC1 ZINC001575528593 949404309 /nfs/dbraw/zinc/40/43/09/949404309.db2.gz YGQVIFNNMVNNBF-OKILXGFUSA-N -1 1 382.472 1.807 20 0 GDADMM C[C@@H](NC(=O)CC(C)(F)F)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575263786 949405825 /nfs/dbraw/zinc/40/58/25/949405825.db2.gz JMTQBLWZLFFUHU-MNOVXSKESA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](NC(=O)CC(C)(F)F)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575263786 949405840 /nfs/dbraw/zinc/40/58/40/949405840.db2.gz JMTQBLWZLFFUHU-MNOVXSKESA-N -1 1 380.403 1.423 20 0 GDADMM CC1(C(=O)N2CCC(N(CC3CC3)c3cncc(-c4nnn[n-]4)n3)CC2)CC1 ZINC001575532860 949408467 /nfs/dbraw/zinc/40/84/67/949408467.db2.gz BCTZPDRQASEJMI-UHFFFAOYSA-N -1 1 382.472 1.664 20 0 GDADMM CC1(C(=O)N2CCC(N(CC3CC3)c3cncc(-c4nn[n-]n4)n3)CC2)CC1 ZINC001575532860 949408480 /nfs/dbraw/zinc/40/84/80/949408480.db2.gz BCTZPDRQASEJMI-UHFFFAOYSA-N -1 1 382.472 1.664 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1nccnc1-c1nnn[n-]1)NC(=O)CC(C)(C)O ZINC001576155922 949423096 /nfs/dbraw/zinc/42/30/96/949423096.db2.gz KKFMWUXTBBHDMG-XIKOKIGWSA-N -1 1 388.476 1.295 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1nccnc1-c1nn[n-]n1)NC(=O)CC(C)(C)O ZINC001576155922 949423108 /nfs/dbraw/zinc/42/31/08/949423108.db2.gz KKFMWUXTBBHDMG-XIKOKIGWSA-N -1 1 388.476 1.295 20 0 GDADMM C[C@@H](NC(=O)C1CCCCC1)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575264334 949425612 /nfs/dbraw/zinc/42/56/12/949425612.db2.gz NSPVSJAEOUATBA-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](NC(=O)C1CCCCC1)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575264334 949425626 /nfs/dbraw/zinc/42/56/26/949425626.db2.gz NSPVSJAEOUATBA-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](NC(=O)C1CCCCC1)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575265298 949446150 /nfs/dbraw/zinc/44/61/50/949446150.db2.gz UAQJAUVCPPTMSZ-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](NC(=O)C1CCCCC1)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575265298 949446166 /nfs/dbraw/zinc/44/61/66/949446166.db2.gz UAQJAUVCPPTMSZ-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@]1(C(=O)N2CCC(CNc3cnc(-c4nnn[n-]4)cn3)CC2)CCCOC1 ZINC001575535582 949448903 /nfs/dbraw/zinc/44/89/03/949448903.db2.gz YWDUVUXJLXLFQP-SFHVURJKSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@]1(C(=O)N2CCC(CNc3cnc(-c4nn[n-]n4)cn3)CC2)CCCOC1 ZINC001575535582 949448921 /nfs/dbraw/zinc/44/89/21/949448921.db2.gz YWDUVUXJLXLFQP-SFHVURJKSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@H]1CCC[C@H]1CC(=O)N(C)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001576156695 949452946 /nfs/dbraw/zinc/45/29/46/949452946.db2.gz ZCPAXLZHOLWGHX-KBPBESRZSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CCC[C@H]1CC(=O)N(C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001576156695 949452955 /nfs/dbraw/zinc/45/29/55/949452955.db2.gz ZCPAXLZHOLWGHX-KBPBESRZSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@]1(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CCc2ccccc21 ZINC001575535740 949453116 /nfs/dbraw/zinc/45/31/16/949453116.db2.gz AIUOLLMWTUBBKK-VLIAUNLRSA-N -1 1 390.451 1.574 20 0 GDADMM C[C@]1(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CCc2ccccc21 ZINC001575535740 949453142 /nfs/dbraw/zinc/45/31/42/949453142.db2.gz AIUOLLMWTUBBKK-VLIAUNLRSA-N -1 1 390.451 1.574 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cc[nH]c1 ZINC001576157074 949472629 /nfs/dbraw/zinc/47/26/29/949472629.db2.gz PEJQCXGCMLVGBK-XIKOKIGWSA-N -1 1 381.444 1.198 20 0 GDADMM C[C@@H](NC(=O)CCC(F)F)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575266442 949477680 /nfs/dbraw/zinc/47/76/80/949477680.db2.gz CZEXOVVTRBXKCG-MNOVXSKESA-N -1 1 380.403 1.423 20 0 GDADMM CC(C)n1nccc1C(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001574469418 949480689 /nfs/dbraw/zinc/48/06/89/949480689.db2.gz DGOZUUJBGAERTP-GFCCVEGCSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1nccc1C(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001574469418 949480701 /nfs/dbraw/zinc/48/07/01/949480701.db2.gz DGOZUUJBGAERTP-GFCCVEGCSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)CC(=O)NC[C@H]1Cc2ccccc2CN1c1cncc(-c2nnn[n-]2)n1 ZINC001574118480 949492097 /nfs/dbraw/zinc/49/20/97/949492097.db2.gz GMGRKEKKHBYQQP-MRXNPFEDSA-N -1 1 392.467 1.750 20 0 GDADMM CC(C)CC(=O)NC[C@H]1Cc2ccccc2CN1c1cncc(-c2nn[n-]n2)n1 ZINC001574118480 949492111 /nfs/dbraw/zinc/49/21/11/949492111.db2.gz GMGRKEKKHBYQQP-MRXNPFEDSA-N -1 1 392.467 1.750 20 0 GDADMM C[C@H](CC(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001574470382 949497709 /nfs/dbraw/zinc/49/77/09/949497709.db2.gz BVWRMMGRFMYHQQ-KGLIPLIRSA-N -1 1 380.456 1.531 20 0 GDADMM CC1(C(=O)N2CC[C@H]3[C@@H](CCN3c3ccnc(-c4nn[n-]n4)n3)C2)CCCC1 ZINC001575537729 949499780 /nfs/dbraw/zinc/49/97/80/949499780.db2.gz ARNFHYGSVNOQSW-KBPBESRZSA-N -1 1 382.472 1.664 20 0 GDADMM C[C@H](CNC(=O)NCc1nc(-c2nnn[n-]2)cs1)NC(=O)OC(C)(C)C ZINC001574949706 949505522 /nfs/dbraw/zinc/50/55/22/949505522.db2.gz BBFSBBAGSUTUGA-MRVPVSSYSA-N -1 1 382.450 1.036 20 0 GDADMM C[C@H](CNC(=O)NCc1nc(-c2nn[n-]n2)cs1)NC(=O)OC(C)(C)C ZINC001574949706 949505541 /nfs/dbraw/zinc/50/55/41/949505541.db2.gz BBFSBBAGSUTUGA-MRVPVSSYSA-N -1 1 382.450 1.036 20 0 GDADMM CC(C)n1nccc1C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574470731 949507914 /nfs/dbraw/zinc/50/79/14/949507914.db2.gz SZYMLUKSYLLGNG-HAQNSBGRSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1nccc1C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574470731 949507933 /nfs/dbraw/zinc/50/79/33/949507933.db2.gz SZYMLUKSYLLGNG-HAQNSBGRSA-N -1 1 382.432 1.055 20 0 GDADMM CC1(C(=O)N2CCC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CCOCC1 ZINC001575538353 949517087 /nfs/dbraw/zinc/51/70/87/949517087.db2.gz FSTMLTYNAHSATQ-CYBMUJFWSA-N -1 1 386.460 1.124 20 0 GDADMM CC1(C(=O)N2CCC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CCOCC1 ZINC001575538353 949517101 /nfs/dbraw/zinc/51/71/01/949517101.db2.gz FSTMLTYNAHSATQ-CYBMUJFWSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2(F)CCCCC2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575871636 949518234 /nfs/dbraw/zinc/51/82/34/949518234.db2.gz BMVUQHLOECSPNR-CHWSQXEVSA-N -1 1 388.451 1.803 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2(F)CCCCC2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575871636 949518247 /nfs/dbraw/zinc/51/82/47/949518247.db2.gz BMVUQHLOECSPNR-CHWSQXEVSA-N -1 1 388.451 1.803 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2(F)CCCCC2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575871641 949521034 /nfs/dbraw/zinc/52/10/34/949521034.db2.gz BMVUQHLOECSPNR-STQMWFEESA-N -1 1 388.451 1.803 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2(F)CCCCC2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575871641 949521050 /nfs/dbraw/zinc/52/10/50/949521050.db2.gz BMVUQHLOECSPNR-STQMWFEESA-N -1 1 388.451 1.803 20 0 GDADMM C[C@]1(C(=O)N2CCC[C@H](CCNc3cncc(-c4nnn[n-]4)n3)C2)CCOC1 ZINC001575538691 949527671 /nfs/dbraw/zinc/52/76/71/949527671.db2.gz IYKYWAQZIFREMP-ACJLOTCBSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@]1(C(=O)N2CCC[C@H](CCNc3cncc(-c4nn[n-]n4)n3)C2)CCOC1 ZINC001575538691 949527686 /nfs/dbraw/zinc/52/76/86/949527686.db2.gz IYKYWAQZIFREMP-ACJLOTCBSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CC2CC(C)(C)C2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575872020 949528062 /nfs/dbraw/zinc/52/80/62/949528062.db2.gz FGNUFILECLMWPV-OCCSQVGLSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@@H](OCc1ccccc1)C(=O)NC[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574951013 949549854 /nfs/dbraw/zinc/54/98/54/949549854.db2.gz WHJCGPOGILSQLP-QWHCGFSZSA-N -1 1 382.428 1.179 20 0 GDADMM C[C@@H](OCc1ccccc1)C(=O)NC[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574951013 949549864 /nfs/dbraw/zinc/54/98/64/949549864.db2.gz WHJCGPOGILSQLP-QWHCGFSZSA-N -1 1 382.428 1.179 20 0 GDADMM C[C@H]1CCCN(C(=O)C2=CCOCC2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576165916 949572030 /nfs/dbraw/zinc/57/20/30/949572030.db2.gz KKOQBPLTJJORMP-WFASDCNBSA-N -1 1 384.444 1.042 20 0 GDADMM C[C@H]1CCCN(C(=O)C2=CCOCC2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576165916 949572042 /nfs/dbraw/zinc/57/20/42/949572042.db2.gz KKOQBPLTJJORMP-WFASDCNBSA-N -1 1 384.444 1.042 20 0 GDADMM C[C@H]1CCCN(C(=O)CC(F)(F)F)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576166071 949580541 /nfs/dbraw/zinc/58/05/41/949580541.db2.gz LAVNXFSJZMIWPW-GXSJLCMTSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H]1CCCN(C(=O)CC(F)(F)F)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576166071 949580557 /nfs/dbraw/zinc/58/05/57/949580557.db2.gz LAVNXFSJZMIWPW-GXSJLCMTSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1CCc2cccnc21)Nc1nccnc1-c1nnn[n-]1 ZINC001574713110 949593318 /nfs/dbraw/zinc/59/33/18/949593318.db2.gz VYRXCEZIVJDYRZ-AAEUAGOBSA-N -1 1 379.428 1.041 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1CCc2cccnc21)Nc1nccnc1-c1nn[n-]n1 ZINC001574713110 949593323 /nfs/dbraw/zinc/59/33/23/949593323.db2.gz VYRXCEZIVJDYRZ-AAEUAGOBSA-N -1 1 379.428 1.041 20 0 GDADMM C[C@H](CC(=O)N(C)C[C@H](O)CNc1nccnc1-c1nnn[n-]1)CC(C)(C)C ZINC001574476437 949602494 /nfs/dbraw/zinc/60/24/94/949602494.db2.gz HDVPVUJVAMPUHA-CHWSQXEVSA-N -1 1 390.492 1.350 20 0 GDADMM C[C@H](CC(=O)N(C)C[C@H](O)CNc1nccnc1-c1nn[n-]n1)CC(C)(C)C ZINC001574476437 949602502 /nfs/dbraw/zinc/60/25/02/949602502.db2.gz HDVPVUJVAMPUHA-CHWSQXEVSA-N -1 1 390.492 1.350 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2C=CC=CC=C2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575874125 949606022 /nfs/dbraw/zinc/60/60/22/949606022.db2.gz RNGUPBCEBQZJIE-DZGCQCFKSA-N -1 1 378.440 1.429 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2C=CC=CC=C2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575874125 949606037 /nfs/dbraw/zinc/60/60/37/949606037.db2.gz RNGUPBCEBQZJIE-DZGCQCFKSA-N -1 1 378.440 1.429 20 0 GDADMM CC1(C(=O)N2CCCC[C@@H]2[C@H]2CCCN2c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001575546819 949614682 /nfs/dbraw/zinc/61/46/82/949614682.db2.gz RVCAWWUZJGNQMF-HUUCEWRRSA-N -1 1 382.472 1.807 20 0 GDADMM CC1(C(=O)N2CCCC[C@@H]2[C@H]2CCCN2c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001575546819 949614689 /nfs/dbraw/zinc/61/46/89/949614689.db2.gz RVCAWWUZJGNQMF-HUUCEWRRSA-N -1 1 382.472 1.807 20 0 GDADMM C[C@@H](NC(=O)CCCc1ccccn1)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575271324 949615273 /nfs/dbraw/zinc/61/52/73/949615273.db2.gz JROFMEJGBDIMKA-CHWSQXEVSA-N -1 1 381.444 1.380 20 0 GDADMM C[C@@H](NC(=O)CCCc1ccccn1)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575271324 949615283 /nfs/dbraw/zinc/61/52/83/949615283.db2.gz JROFMEJGBDIMKA-CHWSQXEVSA-N -1 1 381.444 1.380 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@H](C)c1ccncc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574714541 949626560 /nfs/dbraw/zinc/62/65/60/949626560.db2.gz FEPQJOOSAOAACM-QWHCGFSZSA-N -1 1 381.444 1.504 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@H](C)c1ccncc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574714541 949626569 /nfs/dbraw/zinc/62/65/69/949626569.db2.gz FEPQJOOSAOAACM-QWHCGFSZSA-N -1 1 381.444 1.504 20 0 GDADMM C[C@H](NC(=O)CCCc1cccnc1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575272388 949641204 /nfs/dbraw/zinc/64/12/04/949641204.db2.gz PWRIDOTZVHMBDS-STQMWFEESA-N -1 1 381.444 1.380 20 0 GDADMM C[C@H](NC(=O)CCCc1cccnc1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575272388 949641219 /nfs/dbraw/zinc/64/12/19/949641219.db2.gz PWRIDOTZVHMBDS-STQMWFEESA-N -1 1 381.444 1.380 20 0 GDADMM C[C@@H]1[C@H](NC(=O)Cc2ccccc2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575876287 949645573 /nfs/dbraw/zinc/64/55/73/949645573.db2.gz JSSSDSMZLOPRGT-UKRRQHHQSA-N -1 1 378.440 1.373 20 0 GDADMM C[C@@H]1[C@H](NC(=O)Cc2ccccc2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575876287 949645580 /nfs/dbraw/zinc/64/55/80/949645580.db2.gz JSSSDSMZLOPRGT-UKRRQHHQSA-N -1 1 378.440 1.373 20 0 GDADMM C[C@H](CC(=O)N(C)CCCN(C)c1ccnc(-c2nn[n-]n2)n1)c1ccco1 ZINC001574477462 949656012 /nfs/dbraw/zinc/65/60/12/949656012.db2.gz RJZVBGKLTLXBBZ-CYBMUJFWSA-N -1 1 384.444 1.728 20 0 GDADMM C[C@]1(C(=O)N2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)CCc2ccccc21 ZINC001575548258 949663924 /nfs/dbraw/zinc/66/39/24/949663924.db2.gz VYSUNDRVZAKCFU-FQEVSTJZSA-N -1 1 390.451 1.209 20 0 GDADMM C[C@]1(C(=O)N2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)CCc2ccccc21 ZINC001575548258 949663943 /nfs/dbraw/zinc/66/39/43/949663943.db2.gz VYSUNDRVZAKCFU-FQEVSTJZSA-N -1 1 390.451 1.209 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H]1CCCOCC1 ZINC001573816172 949672026 /nfs/dbraw/zinc/67/20/26/949672026.db2.gz PLCREYBFEIQNTH-GXTWGEPZSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H]1CCCOCC1 ZINC001573816172 949672036 /nfs/dbraw/zinc/67/20/36/949672036.db2.gz PLCREYBFEIQNTH-GXTWGEPZSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@@H]1[C@H](NC(=O)Cc2ccccc2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575879669 949689747 /nfs/dbraw/zinc/68/97/47/949689747.db2.gz RDCGSURTYSTFDK-UKRRQHHQSA-N -1 1 378.440 1.373 20 0 GDADMM C[C@@H]1[C@H](NC(=O)Cc2ccccc2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575879669 949689761 /nfs/dbraw/zinc/68/97/61/949689761.db2.gz RDCGSURTYSTFDK-UKRRQHHQSA-N -1 1 378.440 1.373 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccccc1 ZINC001574478108 949698191 /nfs/dbraw/zinc/69/81/91/949698191.db2.gz XSKITDGKVVZRFP-GOEBONIOSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccccc1 ZINC001574478108 949698206 /nfs/dbraw/zinc/69/82/06/949698206.db2.gz XSKITDGKVVZRFP-GOEBONIOSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CCc2ccoc2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575880211 949699872 /nfs/dbraw/zinc/69/98/72/949699872.db2.gz SGECLPFCMCRVOI-JSGCOSHPSA-N -1 1 382.428 1.356 20 0 GDADMM C[C@H](NC(=O)CCc1ccccc1F)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575276166 949709484 /nfs/dbraw/zinc/70/94/84/949709484.db2.gz HGIZUSJLLRDELQ-RYUDHWBXSA-N -1 1 384.419 1.156 20 0 GDADMM C[C@H]1[C@H](NC(=O)CCc2ccoc2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575881248 949715802 /nfs/dbraw/zinc/71/58/02/949715802.db2.gz WSHZNRAROOWIED-GXTWGEPZSA-N -1 1 382.428 1.356 20 0 GDADMM C[C@H]1[C@H](NC(=O)CCc2ccoc2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575881248 949715822 /nfs/dbraw/zinc/71/58/22/949715822.db2.gz WSHZNRAROOWIED-GXTWGEPZSA-N -1 1 382.428 1.356 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cc1cscn1 ZINC001573818147 949720872 /nfs/dbraw/zinc/72/08/72/949720872.db2.gz HCBQTYBDEFUFEK-GFCCVEGCSA-N -1 1 387.473 1.299 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cc1cscn1 ZINC001573818147 949720897 /nfs/dbraw/zinc/72/08/97/949720897.db2.gz HCBQTYBDEFUFEK-GFCCVEGCSA-N -1 1 387.473 1.299 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574960225 949724901 /nfs/dbraw/zinc/72/49/01/949724901.db2.gz VRFKVYZVRMFPEO-KWCYVHTRSA-N -1 1 379.428 1.020 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574960225 949724915 /nfs/dbraw/zinc/72/49/15/949724915.db2.gz VRFKVYZVRMFPEO-KWCYVHTRSA-N -1 1 379.428 1.020 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574479011 949726904 /nfs/dbraw/zinc/72/69/04/949726904.db2.gz CBXUGXYHIVNVFZ-VHSXEESVSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H]1CCCC[C@@H]1C(=O)N1CCC(N(C)c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576170603 949727555 /nfs/dbraw/zinc/72/75/55/949727555.db2.gz MGSKSNNPMUBQIT-HIFRSBDPSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCCC[C@@H]1C(=O)N1CCC(N(C)c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576170603 949727572 /nfs/dbraw/zinc/72/75/72/949727572.db2.gz MGSKSNNPMUBQIT-HIFRSBDPSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)CCc1ccc(F)cc1 ZINC001575276747 949727924 /nfs/dbraw/zinc/72/79/24/949727924.db2.gz LAABJKDEDUINCD-NEPJUHHUSA-N -1 1 384.419 1.734 20 0 GDADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)CCc1ccc(F)cc1 ZINC001575276747 949727944 /nfs/dbraw/zinc/72/79/44/949727944.db2.gz LAABJKDEDUINCD-NEPJUHHUSA-N -1 1 384.419 1.734 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574960443 949727964 /nfs/dbraw/zinc/72/79/64/949727964.db2.gz XEOZNLAMSYODNT-VHDGCEQUSA-N -1 1 378.440 1.401 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574960443 949727984 /nfs/dbraw/zinc/72/79/84/949727984.db2.gz XEOZNLAMSYODNT-VHDGCEQUSA-N -1 1 378.440 1.401 20 0 GDADMM C[C@H]1[C@H](NC(=O)CCC(F)(F)F)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575881663 949728395 /nfs/dbraw/zinc/72/83/95/949728395.db2.gz ZKYZFLCDBJUKDS-VHSXEESVSA-N -1 1 384.366 1.473 20 0 GDADMM C[C@@H]1CCCN(C(=O)CCC(F)F)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576170683 949734386 /nfs/dbraw/zinc/73/43/86/949734386.db2.gz NCFXCLRPTZFFMN-ZYHUDNBSSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H]1CCCN(C(=O)CCC(F)F)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576170683 949734395 /nfs/dbraw/zinc/73/43/95/949734395.db2.gz NCFXCLRPTZFFMN-ZYHUDNBSSA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cc1ccccc1 ZINC001573818697 949740190 /nfs/dbraw/zinc/74/01/90/949740190.db2.gz OJQHDIIZPGWRIG-HNNXBMFYSA-N -1 1 380.456 1.842 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cc1ccccc1 ZINC001573818697 949740210 /nfs/dbraw/zinc/74/02/10/949740210.db2.gz OJQHDIIZPGWRIG-HNNXBMFYSA-N -1 1 380.456 1.842 20 0 GDADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccccc1F ZINC001573818714 949740727 /nfs/dbraw/zinc/74/07/27/949740727.db2.gz OPRDFLLXZLBJLR-ZDUSSCGKSA-N -1 1 384.419 1.474 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cc1cncs1 ZINC001573819045 949748372 /nfs/dbraw/zinc/74/83/72/949748372.db2.gz RMQQFKGUSAKEMF-GFCCVEGCSA-N -1 1 387.473 1.299 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cc1cncs1 ZINC001573819045 949748391 /nfs/dbraw/zinc/74/83/91/949748391.db2.gz RMQQFKGUSAKEMF-GFCCVEGCSA-N -1 1 387.473 1.299 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001574480859 949756520 /nfs/dbraw/zinc/75/65/20/949756520.db2.gz KSHRSDKFRHBBPA-UWVGGRQHSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001574480859 949756549 /nfs/dbraw/zinc/75/65/49/949756549.db2.gz KSHRSDKFRHBBPA-UWVGGRQHSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001574480857 949758416 /nfs/dbraw/zinc/75/84/16/949758416.db2.gz KRXRJGHUZXUAHD-ZIAGYGMSSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001574480857 949758437 /nfs/dbraw/zinc/75/84/37/949758437.db2.gz KRXRJGHUZXUAHD-ZIAGYGMSSA-N -1 1 381.444 1.370 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C1(C)CCOCC1 ZINC001575559655 949765088 /nfs/dbraw/zinc/76/50/88/949765088.db2.gz XMGQGPXVTFSXCL-LBPRGKRZSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C1(C)CCOCC1 ZINC001575559655 949765098 /nfs/dbraw/zinc/76/50/98/949765098.db2.gz XMGQGPXVTFSXCL-LBPRGKRZSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)Cc1cccs1 ZINC001573820315 949765094 /nfs/dbraw/zinc/76/50/94/949765094.db2.gz XKFDAGJYEXMAPU-GFCCVEGCSA-N -1 1 386.485 1.326 20 0 GDADMM C[C@H]1CCCC[C@@H]1CC(=O)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001576172024 949788742 /nfs/dbraw/zinc/78/87/42/949788742.db2.gz SNIQCPBIWBEMMW-LSDHHAIUSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@H]1CCCC[C@@H]1CC(=O)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001576172024 949788749 /nfs/dbraw/zinc/78/87/49/949788749.db2.gz SNIQCPBIWBEMMW-LSDHHAIUSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@H](NC(=O)COc1ccc(F)cc1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575281512 949812716 /nfs/dbraw/zinc/81/27/16/949812716.db2.gz GVNJGAZLWMUAFN-QWRGUYRKSA-N -1 1 386.391 1.180 20 0 GDADMM C[C@H](NC(=O)COc1ccc(F)cc1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575281512 949812739 /nfs/dbraw/zinc/81/27/39/949812739.db2.gz GVNJGAZLWMUAFN-QWRGUYRKSA-N -1 1 386.391 1.180 20 0 GDADMM CC1(C(=O)N[C@@H]2CCC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CC(F)(F)C1 ZINC001575562120 949821065 /nfs/dbraw/zinc/82/10/65/949821065.db2.gz DTDHDYWVCCDRIP-GHMZBOCLSA-N -1 1 392.414 1.931 20 0 GDADMM CC1(C(=O)N[C@@H]2CCC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CC(F)(F)C1 ZINC001575562120 949821095 /nfs/dbraw/zinc/82/10/95/949821095.db2.gz DTDHDYWVCCDRIP-GHMZBOCLSA-N -1 1 392.414 1.931 20 0 GDADMM CC1(C(=O)N[C@H]2CCC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CCOCC1 ZINC001575562339 949821142 /nfs/dbraw/zinc/82/11/42/949821142.db2.gz FODXAKZFCRKETG-STQMWFEESA-N -1 1 386.460 1.313 20 0 GDADMM CC1(C(=O)N[C@H]2CCC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CCOCC1 ZINC001575562339 949821159 /nfs/dbraw/zinc/82/11/59/949821159.db2.gz FODXAKZFCRKETG-STQMWFEESA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](CC(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)c1ccccc1 ZINC001574483700 949837851 /nfs/dbraw/zinc/83/78/51/949837851.db2.gz IVIFSMUFOSKLGQ-CQSZACIVSA-N -1 1 378.440 1.499 20 0 GDADMM C[C@H](CC(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)c1ccccc1 ZINC001574483700 949837876 /nfs/dbraw/zinc/83/78/76/949837876.db2.gz IVIFSMUFOSKLGQ-CQSZACIVSA-N -1 1 378.440 1.499 20 0 GDADMM C[C@H]1CCCC[C@H]1C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001576173767 949846324 /nfs/dbraw/zinc/84/63/24/949846324.db2.gz YSIQKXHWAMVTQH-BYNSBNAKSA-N -1 1 382.472 1.378 20 0 GDADMM CC(C)(C)C1CC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573824979 949855973 /nfs/dbraw/zinc/85/59/73/949855973.db2.gz JVFFGUIJQBHGAZ-WJQQDGAISA-N -1 1 396.499 1.955 20 0 GDADMM CC(C)(C)C1CC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573824979 949855992 /nfs/dbraw/zinc/85/59/92/949855992.db2.gz JVFFGUIJQBHGAZ-WJQQDGAISA-N -1 1 396.499 1.955 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001574484154 949862977 /nfs/dbraw/zinc/86/29/77/949862977.db2.gz CZJLPQHTGGJWQD-KCXAZCMYSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001574484154 949862998 /nfs/dbraw/zinc/86/29/98/949862998.db2.gz CZJLPQHTGGJWQD-KCXAZCMYSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H]1CCCN1c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001576177900 949865734 /nfs/dbraw/zinc/86/57/34/949865734.db2.gz DAIVDZCCDCCEQD-ZYHUDNBSSA-N -1 1 383.416 1.039 20 0 GDADMM C[C@@H]1CCCN1c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001576177900 949865751 /nfs/dbraw/zinc/86/57/51/949865751.db2.gz DAIVDZCCDCCEQD-ZYHUDNBSSA-N -1 1 383.416 1.039 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccncc2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576178728 949899152 /nfs/dbraw/zinc/89/91/52/949899152.db2.gz CSCNJPFCNNAEGI-TZMCWYRMSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccncc2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576178728 949899176 /nfs/dbraw/zinc/89/91/76/949899176.db2.gz CSCNJPFCNNAEGI-TZMCWYRMSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@@H](CC(=O)N1CCCO[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)C1CC1 ZINC001574484770 949900489 /nfs/dbraw/zinc/90/04/89/949900489.db2.gz NTOAYKONNGDHCQ-JSGCOSHPSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](CC(=O)N1CCCO[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001574484770 949900503 /nfs/dbraw/zinc/90/05/03/949900503.db2.gz NTOAYKONNGDHCQ-JSGCOSHPSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1)n1cccc1 ZINC001574484891 949911356 /nfs/dbraw/zinc/91/13/56/949911356.db2.gz RAMBTOYFQCNGKY-KBPBESRZSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1)n1cccc1 ZINC001574484891 949911376 /nfs/dbraw/zinc/91/13/76/949911376.db2.gz RAMBTOYFQCNGKY-KBPBESRZSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@@H](CC(=O)N1CCCC[C@@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001574484953 949913314 /nfs/dbraw/zinc/91/33/14/949913314.db2.gz SIHAATYMZFXGLK-DZGCQCFKSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](NC(=O)COC(C)(C)C)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575284748 949918079 /nfs/dbraw/zinc/91/80/79/949918079.db2.gz WKBOWQQWWOLOOA-CHWSQXEVSA-N -1 1 388.476 1.193 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001574485230 949921305 /nfs/dbraw/zinc/92/13/05/949921305.db2.gz VLFNIHJHQZZXOS-ZBFHGGJFSA-N -1 1 392.467 1.675 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccccn2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576180074 949931575 /nfs/dbraw/zinc/93/15/75/949931575.db2.gz HDZJOZGNPFIBRL-IUODEOHRSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccccn2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576180074 949931589 /nfs/dbraw/zinc/93/15/89/949931589.db2.gz HDZJOZGNPFIBRL-IUODEOHRSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@@]1(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CCc2ccccc21 ZINC001575570201 949932565 /nfs/dbraw/zinc/93/25/65/949932565.db2.gz QGARGLAASQESGZ-JLTOFOAXSA-N -1 1 390.451 1.256 20 0 GDADMM C[C@@]1(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CCc2ccccc21 ZINC001575570201 949932580 /nfs/dbraw/zinc/93/25/80/949932580.db2.gz QGARGLAASQESGZ-JLTOFOAXSA-N -1 1 390.451 1.256 20 0 GDADMM C[C@H](NC(=O)COc1ccccc1F)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575285128 949933776 /nfs/dbraw/zinc/93/37/76/949933776.db2.gz ZAUCCWCKUNOFNP-QWRGUYRKSA-N -1 1 386.391 1.180 20 0 GDADMM C[C@H](NC(=O)COc1ccccc1F)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575285128 949933799 /nfs/dbraw/zinc/93/37/99/949933799.db2.gz ZAUCCWCKUNOFNP-QWRGUYRKSA-N -1 1 386.391 1.180 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2ccc(Cl)[nH]2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575890823 949968951 /nfs/dbraw/zinc/96/89/51/949968951.db2.gz AARHGTNBDITHCN-NXEZZACHSA-N -1 1 387.835 1.426 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2ccc(Cl)[nH]2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575890823 949968967 /nfs/dbraw/zinc/96/89/67/949968967.db2.gz AARHGTNBDITHCN-NXEZZACHSA-N -1 1 387.835 1.426 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1)c1ccncc1 ZINC001574489939 949973076 /nfs/dbraw/zinc/97/30/76/949973076.db2.gz LVFNYODDBGEVHH-SNPRPXQTSA-N -1 1 391.439 1.035 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1)c1ccncc1 ZINC001574489939 949973093 /nfs/dbraw/zinc/97/30/93/949973093.db2.gz LVFNYODDBGEVHH-SNPRPXQTSA-N -1 1 391.439 1.035 20 0 GDADMM C[C@H](CC(=O)N[C@]1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001574490167 949977824 /nfs/dbraw/zinc/97/78/24/949977824.db2.gz NVIIZRRLFZGLNJ-YMTOWFKASA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](CC(=O)N[C@]1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001574490167 949977842 /nfs/dbraw/zinc/97/78/42/949977842.db2.gz NVIIZRRLFZGLNJ-YMTOWFKASA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](NC(=O)Cc1ccccc1)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575289653 949998226 /nfs/dbraw/zinc/99/82/26/949998226.db2.gz BABDDSNZHKCPSJ-GOEBONIOSA-N -1 1 392.467 1.621 20 0 GDADMM C[C@H](NC(=O)Cc1ccccc1)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575289653 949998242 /nfs/dbraw/zinc/99/82/42/949998242.db2.gz BABDDSNZHKCPSJ-GOEBONIOSA-N -1 1 392.467 1.621 20 0 GDADMM C[C@@H](NC(=O)Cc1cccc(Cl)c1)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575289606 950001473 /nfs/dbraw/zinc/00/14/73/950001473.db2.gz AJONXQZCPZXXJF-GHMZBOCLSA-N -1 1 386.847 1.858 20 0 GDADMM C[C@@H](NC(=O)Cc1cccc(Cl)c1)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575289606 950001486 /nfs/dbraw/zinc/00/14/86/950001486.db2.gz AJONXQZCPZXXJF-GHMZBOCLSA-N -1 1 386.847 1.858 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ccccc1Cl)Nc1nccnc1-c1nnn[n-]1 ZINC001574728675 950003305 /nfs/dbraw/zinc/00/33/05/950003305.db2.gz GZYAPQFMVZFZGZ-LLVKDONJSA-N -1 1 386.847 1.812 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ccccc1Cl)Nc1nccnc1-c1nn[n-]n1 ZINC001574728675 950003327 /nfs/dbraw/zinc/00/33/27/950003327.db2.gz GZYAPQFMVZFZGZ-LLVKDONJSA-N -1 1 386.847 1.812 20 0 GDADMM C[C@H](CC(=O)N[C@]1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccco1 ZINC001574490628 950007022 /nfs/dbraw/zinc/00/70/22/950007022.db2.gz WIHALHAGRYMERV-KZULUSFZSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](CC(=O)N[C@]1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccco1 ZINC001574490628 950007040 /nfs/dbraw/zinc/00/70/40/950007040.db2.gz WIHALHAGRYMERV-KZULUSFZSA-N -1 1 382.428 1.529 20 0 GDADMM CC(C)(C)CC(=O)N[C@@H]1CC[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001573833653 950009175 /nfs/dbraw/zinc/00/91/75/950009175.db2.gz BAGXZONGQVRDGM-MGPQQGTHSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)CC(=O)N[C@@H]1CC[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001573833653 950009204 /nfs/dbraw/zinc/00/92/04/950009204.db2.gz BAGXZONGQVRDGM-MGPQQGTHSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1c(F)cccc1F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574730227 950027335 /nfs/dbraw/zinc/02/73/35/950027335.db2.gz PZBKCINRAHFFHN-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1c(F)cccc1F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574730227 950027356 /nfs/dbraw/zinc/02/73/56/950027356.db2.gz PZBKCINRAHFFHN-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H]1CCN(C(=O)COC(C)(C)C)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576182096 950032431 /nfs/dbraw/zinc/03/24/31/950032431.db2.gz LCBKFWOGXOJDSV-QWHCGFSZSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@H]1CCN(C(=O)COC(C)(C)C)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576182096 950032456 /nfs/dbraw/zinc/03/24/56/950032456.db2.gz LCBKFWOGXOJDSV-QWHCGFSZSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ccon1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574731021 950041645 /nfs/dbraw/zinc/04/16/45/950041645.db2.gz VNTCSGXDWQTHFH-ZETCQYMHSA-N -1 1 382.837 1.466 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ccon1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574731021 950041667 /nfs/dbraw/zinc/04/16/67/950041667.db2.gz VNTCSGXDWQTHFH-ZETCQYMHSA-N -1 1 382.837 1.466 20 0 GDADMM C[C@@H](CC(=O)NC1CC(CNc2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001574491597 950042550 /nfs/dbraw/zinc/04/25/50/950042550.db2.gz DUTSEQAYBAKJKL-HIFPTAJRSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](CC(=O)NC1CC(CNc2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001574491597 950042575 /nfs/dbraw/zinc/04/25/75/950042575.db2.gz DUTSEQAYBAKJKL-HIFPTAJRSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ccon1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574731020 950043251 /nfs/dbraw/zinc/04/32/51/950043251.db2.gz VNTCSGXDWQTHFH-SSDOTTSWSA-N -1 1 382.837 1.466 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ccon1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574731020 950043270 /nfs/dbraw/zinc/04/32/70/950043270.db2.gz VNTCSGXDWQTHFH-SSDOTTSWSA-N -1 1 382.837 1.466 20 0 GDADMM C[C@@H]1CCN(C(=O)C(C)(C)C2CC2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576182409 950048154 /nfs/dbraw/zinc/04/81/54/950048154.db2.gz ZQJXSISDMODMKT-CHWSQXEVSA-N -1 1 384.488 1.411 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccoc2)[C@@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576182741 950064821 /nfs/dbraw/zinc/06/48/21/950064821.db2.gz PDPBIAYDVNIIMF-TZMCWYRMSA-N -1 1 382.428 1.415 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccccn2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576183029 950073379 /nfs/dbraw/zinc/07/33/79/950073379.db2.gz QJQOOAQGCNYGIS-WFASDCNBSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccccn2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576183029 950073383 /nfs/dbraw/zinc/07/33/83/950073383.db2.gz QJQOOAQGCNYGIS-WFASDCNBSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](C)N(C)c1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001574492413 950083471 /nfs/dbraw/zinc/08/34/71/950083471.db2.gz ARRXJIYPYVMRTK-ZIAGYGMSSA-N -1 1 380.456 1.791 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001574492413 950083492 /nfs/dbraw/zinc/08/34/92/950083492.db2.gz ARRXJIYPYVMRTK-ZIAGYGMSSA-N -1 1 380.456 1.791 20 0 GDADMM C[C@@H](CC(=O)N[C@@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001574492528 950088452 /nfs/dbraw/zinc/08/84/52/950088452.db2.gz NTXSSTOIYOMVHL-SGTLLEGYSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](CC(=O)N[C@@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001574492528 950088467 /nfs/dbraw/zinc/08/84/67/950088467.db2.gz NTXSSTOIYOMVHL-SGTLLEGYSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(C3CC3)CC2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576183598 950090223 /nfs/dbraw/zinc/09/02/23/950090223.db2.gz QLIODJCDZZDELQ-CHWSQXEVSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(C3CC3)CC2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576183598 950090242 /nfs/dbraw/zinc/09/02/42/950090242.db2.gz QLIODJCDZZDELQ-CHWSQXEVSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccn(C)c2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576183438 950090884 /nfs/dbraw/zinc/09/08/84/950090884.db2.gz RWDQFZRIYZWLRI-WFASDCNBSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccn(C)c2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576183438 950090904 /nfs/dbraw/zinc/09/09/04/950090904.db2.gz RWDQFZRIYZWLRI-WFASDCNBSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C)C1CC1 ZINC001574492703 950096272 /nfs/dbraw/zinc/09/62/72/950096272.db2.gz ORASLKQCJWYOQO-WFASDCNBSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C)C1CC1 ZINC001574492703 950096296 /nfs/dbraw/zinc/09/62/96/950096296.db2.gz ORASLKQCJWYOQO-WFASDCNBSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H]1CCN(C(=O)C2(F)CCCC2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576183958 950110732 /nfs/dbraw/zinc/11/07/32/950110732.db2.gz SJZZLRYTNNDDEF-STQMWFEESA-N -1 1 388.451 1.836 20 0 GDADMM C[C@H]1CCN(C(=O)C2(F)CCCC2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576183958 950110739 /nfs/dbraw/zinc/11/07/39/950110739.db2.gz SJZZLRYTNNDDEF-STQMWFEESA-N -1 1 388.451 1.836 20 0 GDADMM CC(C)(C)CC(=O)N[C@@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)C[C@@H]1O ZINC001573839146 950124117 /nfs/dbraw/zinc/12/41/17/950124117.db2.gz MEFYRCUDBYFNDM-SFYZADRCSA-N -1 1 385.881 1.079 20 0 GDADMM CC(C)(C)CC(=O)N[C@@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)C[C@@H]1O ZINC001573839146 950124128 /nfs/dbraw/zinc/12/41/28/950124128.db2.gz MEFYRCUDBYFNDM-SFYZADRCSA-N -1 1 385.881 1.079 20 0 GDADMM C[C@@H](CC(=O)N[C@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001574493946 950145803 /nfs/dbraw/zinc/14/58/03/950145803.db2.gz VOVHIPKVXIVJDA-SCLBCKFNSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](CC(=O)N[C@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574493946 950145822 /nfs/dbraw/zinc/14/58/22/950145822.db2.gz VOVHIPKVXIVJDA-SCLBCKFNSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H]1CCN(C(=O)C2CC(F)(F)C2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576185069 950156885 /nfs/dbraw/zinc/15/68/85/950156885.db2.gz ZBCPQMZXTVHBTP-JQWIXIFHSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H]1CCN(C(=O)C2CC(F)(F)C2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576185069 950156897 /nfs/dbraw/zinc/15/68/97/950156897.db2.gz ZBCPQMZXTVHBTP-JQWIXIFHSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccsc2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576190530 950163626 /nfs/dbraw/zinc/16/36/26/950163626.db2.gz AIUPMHQLANMWRE-DGCLKSJQSA-N -1 1 384.469 1.929 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccsc2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576190530 950163638 /nfs/dbraw/zinc/16/36/38/950163638.db2.gz AIUPMHQLANMWRE-DGCLKSJQSA-N -1 1 384.469 1.929 20 0 GDADMM CC(C)(C)CC(C)(C)C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001573843351 950173629 /nfs/dbraw/zinc/17/36/29/950173629.db2.gz VMZFEVXQUVRAQL-IMRBUKKESA-N -1 1 384.488 1.670 20 0 GDADMM C[C@H]1CCN(C(=O)c2cccn2C)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576191504 950200753 /nfs/dbraw/zinc/20/07/53/950200753.db2.gz IFWCHFVGHPMOAD-STQMWFEESA-N -1 1 381.444 1.206 20 0 GDADMM C[C@H]1CCN(C(=O)c2cccn2C)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576191504 950200775 /nfs/dbraw/zinc/20/07/75/950200775.db2.gz IFWCHFVGHPMOAD-STQMWFEESA-N -1 1 381.444 1.206 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccccn2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576191735 950209229 /nfs/dbraw/zinc/20/92/29/950209229.db2.gz JPUHZJBVESUASC-CHWSQXEVSA-N -1 1 379.428 1.262 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccccn2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576191735 950209243 /nfs/dbraw/zinc/20/92/43/950209243.db2.gz JPUHZJBVESUASC-CHWSQXEVSA-N -1 1 379.428 1.262 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@H]1CCCCO1 ZINC001574156224 950234663 /nfs/dbraw/zinc/23/46/63/950234663.db2.gz ZEHXATQFDISZNZ-UONOGXRCSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@H]1CCCCO1 ZINC001574156224 950234685 /nfs/dbraw/zinc/23/46/85/950234685.db2.gz ZEHXATQFDISZNZ-UONOGXRCSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@@H](CN(C)C(=O)c1c(F)cc(F)cc1F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574741570 950247523 /nfs/dbraw/zinc/24/75/23/950247523.db2.gz JHQDOQCUBNYWEF-QMMMGPOBSA-N -1 1 392.345 1.647 20 0 GDADMM C[C@@H](CN(C)C(=O)c1c(F)cc(F)cc1F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574741570 950247546 /nfs/dbraw/zinc/24/75/46/950247546.db2.gz JHQDOQCUBNYWEF-QMMMGPOBSA-N -1 1 392.345 1.647 20 0 GDADMM CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)c2coc(-c3nnn[n-]3)c2)nc1 ZINC001573849839 950264300 /nfs/dbraw/zinc/26/43/00/950264300.db2.gz CVJDSXCWJIGOOW-UHFFFAOYSA-N -1 1 391.413 1.184 20 0 GDADMM CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)c2coc(-c3nn[n-]n3)c2)nc1 ZINC001573849839 950264318 /nfs/dbraw/zinc/26/43/18/950264318.db2.gz CVJDSXCWJIGOOW-UHFFFAOYSA-N -1 1 391.413 1.184 20 0 GDADMM CC(C)(C)OC(=O)CC1(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)CCOCC1 ZINC001573850358 950274355 /nfs/dbraw/zinc/27/43/55/950274355.db2.gz ISPFFCZLKIQLOO-UHFFFAOYSA-N -1 1 377.405 1.057 20 0 GDADMM CC(C)(C)OC(=O)CC1(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)CCOCC1 ZINC001573850358 950274377 /nfs/dbraw/zinc/27/43/77/950274377.db2.gz ISPFFCZLKIQLOO-UHFFFAOYSA-N -1 1 377.405 1.057 20 0 GDADMM CC1(C(=O)NCC[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CC(F)(F)C1 ZINC001575592316 950287347 /nfs/dbraw/zinc/28/73/47/950287347.db2.gz HORCGHFMVQZWKS-NSHDSACASA-N -1 1 392.414 1.425 20 0 GDADMM CC1(C(=O)NCC[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CC(F)(F)C1 ZINC001575592316 950287368 /nfs/dbraw/zinc/28/73/68/950287368.db2.gz HORCGHFMVQZWKS-NSHDSACASA-N -1 1 392.414 1.425 20 0 GDADMM C[C@H](CC(=O)NC[C@H](O)CNc1cncc(-c2nnn[n-]2)n1)C1CCCCC1 ZINC001574499178 950295041 /nfs/dbraw/zinc/29/50/41/950295041.db2.gz SLPITYSJHDNBKJ-TZMCWYRMSA-N -1 1 388.476 1.152 20 0 GDADMM C[C@H](CC(=O)NC[C@H](O)CNc1cncc(-c2nn[n-]n2)n1)C1CCCCC1 ZINC001574499178 950295055 /nfs/dbraw/zinc/29/50/55/950295055.db2.gz SLPITYSJHDNBKJ-TZMCWYRMSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001573853456 950321759 /nfs/dbraw/zinc/32/17/59/950321759.db2.gz PEQBGOZLQYAIRN-KRWDZBQOSA-N -1 1 391.407 1.227 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001573853456 950321780 /nfs/dbraw/zinc/32/17/80/950321780.db2.gz PEQBGOZLQYAIRN-KRWDZBQOSA-N -1 1 391.407 1.227 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001574501288 950328067 /nfs/dbraw/zinc/32/80/67/950328067.db2.gz CPLQJXAIKPOAHC-UWVGGRQHSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001574501288 950328086 /nfs/dbraw/zinc/32/80/86/950328086.db2.gz CPLQJXAIKPOAHC-UWVGGRQHSA-N -1 1 384.366 1.188 20 0 GDADMM CC1(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)nn2)CCC1 ZINC001575594441 950330712 /nfs/dbraw/zinc/33/07/12/950330712.db2.gz UGBRERXDJVJOEZ-BTTYYORXSA-N -1 1 382.472 1.711 20 0 GDADMM CC1(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)nn2)CCC1 ZINC001575594441 950330732 /nfs/dbraw/zinc/33/07/32/950330732.db2.gz UGBRERXDJVJOEZ-BTTYYORXSA-N -1 1 382.472 1.711 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C1(F)CCOCC1 ZINC001574160876 950346603 /nfs/dbraw/zinc/34/66/03/950346603.db2.gz QCFOHNGCIMLPKL-LBPRGKRZSA-N -1 1 392.439 1.118 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C1(F)CCOCC1 ZINC001574160876 950346616 /nfs/dbraw/zinc/34/66/16/950346616.db2.gz QCFOHNGCIMLPKL-LBPRGKRZSA-N -1 1 392.439 1.118 20 0 GDADMM C[C@@]1(C(=O)NC[C@@H]2CN(Cc3ccc(-c4nn[n-]n4)s3)CCO2)C=CCC1 ZINC001575595073 950348855 /nfs/dbraw/zinc/34/88/55/950348855.db2.gz MVSNTSQGPWXHTA-FZKQIMNGSA-N -1 1 388.497 1.602 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccnc(F)c1 ZINC001574161330 950356836 /nfs/dbraw/zinc/35/68/36/950356836.db2.gz TWRPSYKAMIOVFO-GFCCVEGCSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccnc(F)c1 ZINC001574161330 950356861 /nfs/dbraw/zinc/35/68/61/950356861.db2.gz TWRPSYKAMIOVFO-GFCCVEGCSA-N -1 1 385.407 1.447 20 0 GDADMM CC1(C(=O)NCCC2(CNc3cncc(-c4nnn[n-]4)n3)CC2)CCOCC1 ZINC001575595543 950359962 /nfs/dbraw/zinc/35/99/62/950359962.db2.gz OMRYCHYCGWWHJP-UHFFFAOYSA-N -1 1 386.460 1.172 20 0 GDADMM CC1(C(=O)NCCC2(CNc3cncc(-c4nn[n-]n4)n3)CC2)CCOCC1 ZINC001575595543 950359983 /nfs/dbraw/zinc/35/99/83/950359983.db2.gz OMRYCHYCGWWHJP-UHFFFAOYSA-N -1 1 386.460 1.172 20 0 GDADMM CC1(C(=O)NC[C@@H]2c3ccccc3CCN2c2nccnc2-c2nnn[n-]2)CC1 ZINC001575595621 950362465 /nfs/dbraw/zinc/36/24/65/950362465.db2.gz PGTVVJDIKPWLMJ-OAHLLOKOSA-N -1 1 390.451 1.677 20 0 GDADMM CC1(C(=O)NC[C@@H]2c3ccccc3CCN2c2nccnc2-c2nn[n-]n2)CC1 ZINC001575595621 950362492 /nfs/dbraw/zinc/36/24/92/950362492.db2.gz PGTVVJDIKPWLMJ-OAHLLOKOSA-N -1 1 390.451 1.677 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CC[C@@H]1CCCO1 ZINC001574162539 950383616 /nfs/dbraw/zinc/38/36/16/950383616.db2.gz CTBZSQGBVHQOMX-KGLIPLIRSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CC[C@@H]1CCCO1 ZINC001574162539 950383634 /nfs/dbraw/zinc/38/36/34/950383634.db2.gz CTBZSQGBVHQOMX-KGLIPLIRSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)CC1(C(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)CCC1 ZINC001574162716 950400589 /nfs/dbraw/zinc/40/05/89/950400589.db2.gz HNGJBUIZWYNBHK-CQSZACIVSA-N -1 1 384.488 1.698 20 0 GDADMM CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573857502 950408841 /nfs/dbraw/zinc/40/88/41/950408841.db2.gz SPWWKTUKYJOLGP-DJJJIMSYSA-N -1 1 399.455 1.781 20 0 GDADMM CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573857502 950408855 /nfs/dbraw/zinc/40/88/55/950408855.db2.gz SPWWKTUKYJOLGP-DJJJIMSYSA-N -1 1 399.455 1.781 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1cccnc1 ZINC001575910689 950430959 /nfs/dbraw/zinc/43/09/59/950430959.db2.gz AQUKTOHHVARUOZ-GXTWGEPZSA-N -1 1 379.428 1.086 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCc1cccnc1 ZINC001575910689 950430970 /nfs/dbraw/zinc/43/09/70/950430970.db2.gz AQUKTOHHVARUOZ-GXTWGEPZSA-N -1 1 379.428 1.086 20 0 GDADMM CC(C)CC1(C(=O)N2CC[C@H](N(C)c3cnc(-c4nnn[n-]4)cn3)C2)CCC1 ZINC001574163749 950431522 /nfs/dbraw/zinc/43/15/22/950431522.db2.gz XITKEQZIZKBLME-AWEZNQCLSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CC1(C(=O)N2CC[C@H](N(C)c3cnc(-c4nn[n-]n4)cn3)C2)CCC1 ZINC001574163749 950431548 /nfs/dbraw/zinc/43/15/48/950431548.db2.gz XITKEQZIZKBLME-AWEZNQCLSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001573861055 950435215 /nfs/dbraw/zinc/43/52/15/950435215.db2.gz QRPPYBVUNCPOKI-GXSJLCMTSA-N -1 1 376.421 1.369 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)Cc1cscn1 ZINC001574163870 950441998 /nfs/dbraw/zinc/44/19/98/950441998.db2.gz ZVDNUHZGBLOGRZ-LLVKDONJSA-N -1 1 387.473 1.299 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)Cc1cscn1 ZINC001574163870 950442007 /nfs/dbraw/zinc/44/20/07/950442007.db2.gz ZVDNUHZGBLOGRZ-LLVKDONJSA-N -1 1 387.473 1.299 20 0 GDADMM CC(C)CC1(C(=O)NC[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCC1 ZINC001574165528 950449599 /nfs/dbraw/zinc/44/95/99/950449599.db2.gz GKTDKAFNEOMLRI-HDJSIYSDSA-N -1 1 384.488 1.602 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc2c([nH]1)CCCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574751243 950456077 /nfs/dbraw/zinc/45/60/77/950456077.db2.gz LVOOHLQEVYAPRP-LLVKDONJSA-N -1 1 381.444 1.436 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc2c([nH]1)CCCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574751243 950456091 /nfs/dbraw/zinc/45/60/91/950456091.db2.gz LVOOHLQEVYAPRP-LLVKDONJSA-N -1 1 381.444 1.436 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc(Cl)cn1C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574751524 950461990 /nfs/dbraw/zinc/46/19/90/950461990.db2.gz OXGKXDMSJGIPPO-VIFPVBQESA-N -1 1 375.824 1.221 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc(Cl)cn1C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574751524 950462006 /nfs/dbraw/zinc/46/20/06/950462006.db2.gz OXGKXDMSJGIPPO-VIFPVBQESA-N -1 1 375.824 1.221 20 0 GDADMM C[C@]1(C(=O)N[C@H]2CC[C@H](CNc3nccnc3-c3nnn[n-]3)CC2)CCOC1 ZINC001575605585 950472671 /nfs/dbraw/zinc/47/26/71/950472671.db2.gz NKVXZQDCUDUQDF-LXIYXOSZSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@]1(C(=O)N[C@H]2CC[C@H](CNc3nccnc3-c3nn[n-]n3)CC2)CCOC1 ZINC001575605585 950472692 /nfs/dbraw/zinc/47/26/92/950472692.db2.gz NKVXZQDCUDUQDF-LXIYXOSZSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc(C2CC2)cn1)Nc1nccnc1-c1nnn[n-]1 ZINC001574752295 950479386 /nfs/dbraw/zinc/47/93/86/950479386.db2.gz ACCGUBZJBGVRGG-LLVKDONJSA-N -1 1 379.428 1.502 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc(C2CC2)cn1)Nc1nccnc1-c1nn[n-]n1 ZINC001574752295 950479395 /nfs/dbraw/zinc/47/93/95/950479395.db2.gz ACCGUBZJBGVRGG-LLVKDONJSA-N -1 1 379.428 1.502 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)[C@@H]1CCCO1 ZINC001574508482 950480214 /nfs/dbraw/zinc/48/02/14/950480214.db2.gz PBNHXAYOUJOWIG-ABHRYQDASA-N -1 1 386.460 1.169 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)[C@@H]1CCCO1 ZINC001574508482 950480231 /nfs/dbraw/zinc/48/02/31/950480231.db2.gz PBNHXAYOUJOWIG-ABHRYQDASA-N -1 1 386.460 1.169 20 0 GDADMM CC(C)(C)OCC(=O)N1CCCC[C@@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001573866437 950500864 /nfs/dbraw/zinc/50/08/64/950500864.db2.gz BYIKUYDNBAQHOO-CYBMUJFWSA-N -1 1 388.476 1.655 20 0 GDADMM CC(C)(C)OCC(=O)N1CCCC[C@@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001573866437 950500871 /nfs/dbraw/zinc/50/08/71/950500871.db2.gz BYIKUYDNBAQHOO-CYBMUJFWSA-N -1 1 388.476 1.655 20 0 GDADMM CC(C)(C)OCC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001573866455 950501300 /nfs/dbraw/zinc/50/13/00/950501300.db2.gz CRERJMVZJVGSFZ-OLZOCXBDSA-N -1 1 386.460 1.042 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc2c(c1)CCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574753348 950522345 /nfs/dbraw/zinc/52/23/45/950522345.db2.gz LBKQWCRCULMDBP-GFCCVEGCSA-N -1 1 378.440 1.718 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc2c(c1)CCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574753348 950522357 /nfs/dbraw/zinc/52/23/57/950522357.db2.gz LBKQWCRCULMDBP-GFCCVEGCSA-N -1 1 378.440 1.718 20 0 GDADMM CC(C)CC1(C(=O)N[C@@H]2[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]32)CCC1 ZINC001574168597 950522238 /nfs/dbraw/zinc/52/22/38/950522238.db2.gz ZYKDKPJMPPIUEL-WDNDVIMCSA-N -1 1 382.472 1.424 20 0 GDADMM CC(C)CC1(C(=O)N[C@@H]2[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]32)CCC1 ZINC001574168597 950522253 /nfs/dbraw/zinc/52/22/53/950522253.db2.gz ZYKDKPJMPPIUEL-WDNDVIMCSA-N -1 1 382.472 1.424 20 0 GDADMM CC(C)CCC(=O)N1C[C@@H]2CCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@@H]2C1 ZINC001574170038 950530411 /nfs/dbraw/zinc/53/04/11/950530411.db2.gz DPHJKNTZSKCHFE-RRFJBIMHSA-N -1 1 384.488 1.554 20 0 GDADMM CC(C)(C)OCC(=O)N1CCC[C@H]2[C@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001573867403 950533360 /nfs/dbraw/zinc/53/33/60/950533360.db2.gz YPGUDGIDTDRHCS-UONOGXRCSA-N -1 1 386.460 1.042 20 0 GDADMM CC(C)(C)OCC(=O)N1CCC[C@H]2[C@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001573867403 950533371 /nfs/dbraw/zinc/53/33/71/950533371.db2.gz YPGUDGIDTDRHCS-UONOGXRCSA-N -1 1 386.460 1.042 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CC1CC(F)(F)C1 ZINC001575916210 950535012 /nfs/dbraw/zinc/53/50/12/950535012.db2.gz PUUSAOXSHIMHIL-GXSJLCMTSA-N -1 1 378.387 1.493 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CC1CC(F)(F)C1 ZINC001575916210 950535028 /nfs/dbraw/zinc/53/50/28/950535028.db2.gz PUUSAOXSHIMHIL-GXSJLCMTSA-N -1 1 378.387 1.493 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CC1CC(F)(F)C1 ZINC001575916215 950536462 /nfs/dbraw/zinc/53/64/62/950536462.db2.gz PUUSAOXSHIMHIL-MWLCHTKSSA-N -1 1 378.387 1.493 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CC1CC(F)(F)C1 ZINC001575916215 950536482 /nfs/dbraw/zinc/53/64/82/950536482.db2.gz PUUSAOXSHIMHIL-MWLCHTKSSA-N -1 1 378.387 1.493 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@]12CCC[C@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001573868257 950538901 /nfs/dbraw/zinc/53/89/01/950538901.db2.gz ASLMNFSQLBMJKJ-FZKQIMNGSA-N -1 1 386.460 1.089 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@]12CCC[C@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001573868257 950538914 /nfs/dbraw/zinc/53/89/14/950538914.db2.gz ASLMNFSQLBMJKJ-FZKQIMNGSA-N -1 1 386.460 1.089 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@H]1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001573868636 950545371 /nfs/dbraw/zinc/54/53/71/950545371.db2.gz FLUMCJRDPQUIHX-QWHCGFSZSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@H]1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001573868636 950545388 /nfs/dbraw/zinc/54/53/88/950545388.db2.gz FLUMCJRDPQUIHX-QWHCGFSZSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H](CNC(=O)c1cc(-n2cccc2)ccn1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574997714 950550443 /nfs/dbraw/zinc/55/04/43/950550443.db2.gz XCNIBOPQXIIHDD-GFCCVEGCSA-N -1 1 390.411 1.073 20 0 GDADMM C[C@H](CNC(=O)c1cc(-n2cccc2)ccn1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574997714 950550453 /nfs/dbraw/zinc/55/04/53/950550453.db2.gz XCNIBOPQXIIHDD-GFCCVEGCSA-N -1 1 390.411 1.073 20 0 GDADMM CC(C)(C)OCC(=O)NC(C)(C)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001573869184 950560353 /nfs/dbraw/zinc/56/03/53/950560353.db2.gz MHOQODFCACOBDG-UHFFFAOYSA-N -1 1 380.474 1.254 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc2[nH]ccc2n1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574754176 950562816 /nfs/dbraw/zinc/56/28/16/950562816.db2.gz ZFVUGKQMPMUIPH-JTQLQIEISA-N -1 1 378.400 1.106 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc2[nH]ccc2n1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574754176 950562832 /nfs/dbraw/zinc/56/28/32/950562832.db2.gz ZFVUGKQMPMUIPH-JTQLQIEISA-N -1 1 378.400 1.106 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCCC[C@H]1Nc1cncc(-c2nnn[n-]2)n1)n1ccnc1 ZINC001574511927 950580144 /nfs/dbraw/zinc/58/01/44/950580144.db2.gz WGCFYOPFWNRAGH-MGPQQGTHSA-N -1 1 396.459 1.344 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCCC[C@H]1Nc1cncc(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574511927 950580163 /nfs/dbraw/zinc/58/01/63/950580163.db2.gz WGCFYOPFWNRAGH-MGPQQGTHSA-N -1 1 396.459 1.344 20 0 GDADMM CC(C)CCC(=O)N1CCC[C@@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001574172663 950582904 /nfs/dbraw/zinc/58/29/04/950582904.db2.gz ALCLWEZGGYJRTK-IBGZPJMESA-N -1 1 384.488 1.912 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cc(F)ccc1F ZINC001575917528 950582728 /nfs/dbraw/zinc/58/27/28/950582728.db2.gz YTCQFNIKMKBJHO-ZANVPECISA-N -1 1 386.366 1.650 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cc(F)ccc1F ZINC001575917528 950582743 /nfs/dbraw/zinc/58/27/43/950582743.db2.gz YTCQFNIKMKBJHO-ZANVPECISA-N -1 1 386.366 1.650 20 0 GDADMM CC(C)CCC(=O)N1CCC[C@@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001574172663 950582922 /nfs/dbraw/zinc/58/29/22/950582922.db2.gz ALCLWEZGGYJRTK-IBGZPJMESA-N -1 1 384.488 1.912 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cccnc1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574758275 950607478 /nfs/dbraw/zinc/60/74/78/950607478.db2.gz ADAJJEVJTNSJLE-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cccnc1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574758275 950607493 /nfs/dbraw/zinc/60/74/93/950607493.db2.gz ADAJJEVJTNSJLE-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1occ2c1CCC2 ZINC001575919331 950609995 /nfs/dbraw/zinc/60/99/95/950609995.db2.gz GQIRVWCPRJDOKO-MFKMUULPSA-N -1 1 380.412 1.454 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1occ2c1CCC2 ZINC001575919331 950610005 /nfs/dbraw/zinc/61/00/05/950610005.db2.gz GQIRVWCPRJDOKO-MFKMUULPSA-N -1 1 380.412 1.454 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C[C@H](C)c1ccccc1F ZINC001574513570 950613245 /nfs/dbraw/zinc/61/32/45/950613245.db2.gz UJVGBRFTISVQNB-NWDGAFQWSA-N -1 1 384.419 1.328 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)c1ccccc1 ZINC001574515630 950627498 /nfs/dbraw/zinc/62/74/98/950627498.db2.gz CWDMWGVJRVZPTF-JLMZAJLHSA-N -1 1 390.451 1.401 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)c1ccccc1 ZINC001574515630 950627511 /nfs/dbraw/zinc/62/75/11/950627511.db2.gz CWDMWGVJRVZPTF-JLMZAJLHSA-N -1 1 390.451 1.401 20 0 GDADMM CC1(C)C(C(=O)NC[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)C1(C)C ZINC001575619880 950627969 /nfs/dbraw/zinc/62/79/69/950627969.db2.gz SIFVKFZDRPUKMP-LBPRGKRZSA-N -1 1 384.488 1.672 20 0 GDADMM CC1(C)C(C(=O)NC[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)C1(C)C ZINC001575619880 950627990 /nfs/dbraw/zinc/62/79/90/950627990.db2.gz SIFVKFZDRPUKMP-LBPRGKRZSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@@H](CNC(=O)c1cc2c(s1)CCC2)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575001327 950631062 /nfs/dbraw/zinc/63/10/62/950631062.db2.gz KIWHIRRPSXVYKJ-JTQLQIEISA-N -1 1 384.469 1.462 20 0 GDADMM C[C@@H](CNC(=O)c1cc2c(s1)CCC2)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575001327 950631072 /nfs/dbraw/zinc/63/10/72/950631072.db2.gz KIWHIRRPSXVYKJ-JTQLQIEISA-N -1 1 384.469 1.462 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)[C@H]1CCCO1 ZINC001574516411 950637571 /nfs/dbraw/zinc/63/75/71/950637571.db2.gz ICHXZGVRQQSYLN-PWNZVWSESA-N -1 1 386.460 1.169 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)[C@H]1CCCO1 ZINC001574516411 950637583 /nfs/dbraw/zinc/63/75/83/950637583.db2.gz ICHXZGVRQQSYLN-PWNZVWSESA-N -1 1 386.460 1.169 20 0 GDADMM CC1(C)C2CCC1(C(=O)N[C@H]1C[C@H](Nc3nccnc3-c3nnn[n-]3)C1)CC2 ZINC001575622319 950640967 /nfs/dbraw/zinc/64/09/67/950640967.db2.gz CFNVDXSNYWBNPB-SNEKITDRSA-N -1 1 382.472 1.932 20 0 GDADMM CC1(C)C2CCC1(C(=O)N[C@H]1C[C@H](Nc3nccnc3-c3nn[n-]n3)C1)CC2 ZINC001575622319 950640980 /nfs/dbraw/zinc/64/09/80/950640980.db2.gz CFNVDXSNYWBNPB-SNEKITDRSA-N -1 1 382.472 1.932 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1C[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573873350 950646324 /nfs/dbraw/zinc/64/63/24/950646324.db2.gz KFNULGHPLVDUQM-ZKCHVHJHSA-N -1 1 385.881 1.851 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1C[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573873350 950646342 /nfs/dbraw/zinc/64/63/42/950646342.db2.gz KFNULGHPLVDUQM-ZKCHVHJHSA-N -1 1 385.881 1.851 20 0 GDADMM C[C@H](CC(=O)Nc1ccc(Br)c(-c2nnn[n-]2)n1)n1ccnc1 ZINC001574518998 950663396 /nfs/dbraw/zinc/66/33/96/950663396.db2.gz ALTMABWBRDAQSG-MRVPVSSYSA-N -1 1 377.206 1.811 20 0 GDADMM C[C@H](CC(=O)Nc1ccc(Br)c(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574518998 950663408 /nfs/dbraw/zinc/66/34/08/950663408.db2.gz ALTMABWBRDAQSG-MRVPVSSYSA-N -1 1 377.206 1.811 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)cs1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575002518 950665488 /nfs/dbraw/zinc/66/54/88/950665488.db2.gz UUFCTRWJLATVLN-MRVPVSSYSA-N -1 1 378.849 1.272 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)cs1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575002744 950667011 /nfs/dbraw/zinc/66/70/11/950667011.db2.gz WJHTVFPVVYCKLB-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)cs1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575002744 950667024 /nfs/dbraw/zinc/66/70/24/950667024.db2.gz WJHTVFPVVYCKLB-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CCC(CCNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573876291 950668562 /nfs/dbraw/zinc/66/85/62/950668562.db2.gz JSITXPOKTOCPJN-HUUCEWRRSA-N -1 1 398.515 1.801 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccnn1C1CCC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574760588 950671370 /nfs/dbraw/zinc/67/13/70/950671370.db2.gz JOFLRTUSTQTRSF-NSHDSACASA-N -1 1 382.432 1.151 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccnn1C1CCC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574760588 950671382 /nfs/dbraw/zinc/67/13/82/950671382.db2.gz JOFLRTUSTQTRSF-NSHDSACASA-N -1 1 382.432 1.151 20 0 GDADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1coc2ccccc12 ZINC001575924345 950672491 /nfs/dbraw/zinc/67/24/91/950672491.db2.gz SBTRODPOKPDXNS-SMDDNHRTSA-N -1 1 390.407 1.540 20 0 GDADMM C[C@H](CNC(=O)c1cc2n(c1)CCCC2)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575005330 950677412 /nfs/dbraw/zinc/67/74/12/950677412.db2.gz BBYVYEALECDIQB-GFCCVEGCSA-N -1 1 381.444 1.049 20 0 GDADMM C[C@H](CNC(=O)c1cc2n(c1)CCCC2)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575005330 950677420 /nfs/dbraw/zinc/67/74/20/950677420.db2.gz BBYVYEALECDIQB-GFCCVEGCSA-N -1 1 381.444 1.049 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccccc1C1CCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574760710 950677440 /nfs/dbraw/zinc/67/74/40/950677440.db2.gz YIWJXRJBLDDTML-CYBMUJFWSA-N -1 1 392.467 1.919 20 0 GDADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc2c(c1)CCC2 ZINC001575925820 950692646 /nfs/dbraw/zinc/69/26/46/950692646.db2.gz VBOOAOYTLCZZDD-MLGOLLRUSA-N -1 1 390.451 1.282 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)c1ccccc1 ZINC001574519690 950694015 /nfs/dbraw/zinc/69/40/15/950694015.db2.gz XNXUJUYGKHRQIQ-JLMZAJLHSA-N -1 1 390.451 1.401 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)c1ccccc1 ZINC001574519690 950694022 /nfs/dbraw/zinc/69/40/22/950694022.db2.gz XNXUJUYGKHRQIQ-JLMZAJLHSA-N -1 1 390.451 1.401 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccc2c(c1)COC2 ZINC001575926214 950706604 /nfs/dbraw/zinc/70/66/04/950706604.db2.gz WOHBZFSQFYGSMA-ABAIWWIYSA-N -1 1 392.423 1.402 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccc2c(c1)COC2 ZINC001575926214 950706621 /nfs/dbraw/zinc/70/66/21/950706621.db2.gz WOHBZFSQFYGSMA-ABAIWWIYSA-N -1 1 392.423 1.402 20 0 GDADMM CC1(C)CC(C(=O)N[C@@H]2CC23CCN(c2cnc(-c4nnn[n-]4)cn2)CC3)C1 ZINC001575628240 950714185 /nfs/dbraw/zinc/71/41/85/950714185.db2.gz AMKJYROPRBGQDW-CQSZACIVSA-N -1 1 382.472 1.568 20 0 GDADMM CC1(C)CC(C(=O)N[C@@H]2CC23CCN(c2cnc(-c4nn[n-]n4)cn2)CC3)C1 ZINC001575628240 950714208 /nfs/dbraw/zinc/71/42/08/950714208.db2.gz AMKJYROPRBGQDW-CQSZACIVSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)c1ccccc1 ZINC001574520230 950720717 /nfs/dbraw/zinc/72/07/17/950720717.db2.gz NYOQGKYZLAWMKF-MKVSYHDVSA-N -1 1 390.451 1.401 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)c1ccccc1 ZINC001574520230 950720732 /nfs/dbraw/zinc/72/07/32/950720732.db2.gz NYOQGKYZLAWMKF-MKVSYHDVSA-N -1 1 390.451 1.401 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cnn2ccccc12 ZINC001575927218 950740232 /nfs/dbraw/zinc/74/02/32/950740232.db2.gz OIBHSPZKIVZJQQ-WCQYABFASA-N -1 1 390.411 1.020 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cnn2ccccc12 ZINC001575927218 950740247 /nfs/dbraw/zinc/74/02/47/950740247.db2.gz OIBHSPZKIVZJQQ-WCQYABFASA-N -1 1 390.411 1.020 20 0 GDADMM CC(C)(C)c1ccc(C(=O)N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)cc1 ZINC001573881306 950750091 /nfs/dbraw/zinc/75/00/91/950750091.db2.gz CTYSTJNNZHIUNN-UHFFFAOYSA-N -1 1 392.467 1.917 20 0 GDADMM CC(C)(C)c1ccc(C(=O)N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)cc1 ZINC001573881306 950750108 /nfs/dbraw/zinc/75/01/08/950750108.db2.gz CTYSTJNNZHIUNN-UHFFFAOYSA-N -1 1 392.467 1.917 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576217375 950760322 /nfs/dbraw/zinc/76/03/22/950760322.db2.gz GZYLOSUZTDJWKM-ONGXEEELSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576217375 950760336 /nfs/dbraw/zinc/76/03/36/950760336.db2.gz GZYLOSUZTDJWKM-ONGXEEELSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@H](CN(C)C(=O)c1cnn(C)c1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574764830 950764199 /nfs/dbraw/zinc/76/41/99/950764199.db2.gz ZCTPMXHKPNGQIE-SSDOTTSWSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@H](CN(C)C(=O)c1cnn(C)c1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574764830 950764208 /nfs/dbraw/zinc/76/42/08/950764208.db2.gz ZCTPMXHKPNGQIE-SSDOTTSWSA-N -1 1 381.853 1.283 20 0 GDADMM CC1(C)CC(C(=O)NCCC2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001575630728 950766590 /nfs/dbraw/zinc/76/65/90/950766590.db2.gz FZFODCSWYJSPMG-UHFFFAOYSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C)CC(C(=O)NCCC2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001575630728 950766598 /nfs/dbraw/zinc/76/65/98/950766598.db2.gz FZFODCSWYJSPMG-UHFFFAOYSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)n1cnc(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@@H]2C)c1 ZINC001575928039 950767603 /nfs/dbraw/zinc/76/76/03/950767603.db2.gz XXYCSJQEEKFDPI-RYUDHWBXSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1cnc(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@@H]2C)c1 ZINC001575928039 950767625 /nfs/dbraw/zinc/76/76/25/950767625.db2.gz XXYCSJQEEKFDPI-RYUDHWBXSA-N -1 1 382.432 1.149 20 0 GDADMM C[C@H](CN(C)C(=O)c1scnc1Cl)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574765246 950782011 /nfs/dbraw/zinc/78/20/11/950782011.db2.gz ATHDIZQPDXDLFA-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CN(C)C(=O)c1scnc1Cl)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574765246 950782025 /nfs/dbraw/zinc/78/20/25/950782025.db2.gz ATHDIZQPDXDLFA-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cnc(C2CC2)nc1 ZINC001575929858 950787573 /nfs/dbraw/zinc/78/75/73/950787573.db2.gz CUPRYKSTKDSNNT-GWCFXTLKSA-N -1 1 392.427 1.039 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cnc(C2CC2)nc1 ZINC001575929858 950787596 /nfs/dbraw/zinc/78/75/96/950787596.db2.gz CUPRYKSTKDSNNT-GWCFXTLKSA-N -1 1 392.427 1.039 20 0 GDADMM C[C@H]1[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)CCN1C(=O)c1ccon1 ZINC001575929560 950789243 /nfs/dbraw/zinc/78/92/43/950789243.db2.gz CPDRBKONSJQAEB-NKWVEPMBSA-N -1 1 380.821 1.680 20 0 GDADMM C[C@H]1[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCN1C(=O)c1ccon1 ZINC001575929560 950789265 /nfs/dbraw/zinc/78/92/65/950789265.db2.gz CPDRBKONSJQAEB-NKWVEPMBSA-N -1 1 380.821 1.680 20 0 GDADMM C[C@H]1[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCN1C(=O)c1cnccn1 ZINC001575930165 950790600 /nfs/dbraw/zinc/79/06/00/950790600.db2.gz DTGUVDWTTYVBQP-YUMQZZPRSA-N -1 1 391.848 1.482 20 0 GDADMM CC1(C)CC(CC(=O)NC[C@@H]2CCCCN2c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575632260 950790882 /nfs/dbraw/zinc/79/08/82/950790882.db2.gz FFTCEEFKJABJBB-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CC(CC(=O)NC[C@@H]2CCCCN2c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575632260 950790897 /nfs/dbraw/zinc/79/08/97/950790897.db2.gz FFTCEEFKJABJBB-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccc(F)c(F)c1 ZINC001575931948 950815630 /nfs/dbraw/zinc/81/56/30/950815630.db2.gz KBFXUSIQWXJMRM-NOZJJQNGSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(F)c(F)c1 ZINC001575931948 950815649 /nfs/dbraw/zinc/81/56/49/950815649.db2.gz KBFXUSIQWXJMRM-NOZJJQNGSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccc(F)c(F)c1 ZINC001575931950 950818617 /nfs/dbraw/zinc/81/86/17/950818617.db2.gz KBFXUSIQWXJMRM-TVQRCGJNSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(F)c(F)c1 ZINC001575931950 950818644 /nfs/dbraw/zinc/81/86/44/950818644.db2.gz KBFXUSIQWXJMRM-TVQRCGJNSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ncccn1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574766841 950828256 /nfs/dbraw/zinc/82/82/56/950828256.db2.gz MYKDJDXEHUIDER-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ncccn1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574766841 950828278 /nfs/dbraw/zinc/82/82/78/950828278.db2.gz MYKDJDXEHUIDER-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM CC1(C)C[C@@H](NC(=O)[C@@H]2CC23CC3)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575638466 950832889 /nfs/dbraw/zinc/83/28/89/950832889.db2.gz DMZAPHWRBZQDBF-STQMWFEESA-N -1 1 382.472 1.568 20 0 GDADMM CC1(C)C[C@@H](NC(=O)[C@@H]2CC23CC3)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575638466 950832911 /nfs/dbraw/zinc/83/29/11/950832911.db2.gz DMZAPHWRBZQDBF-STQMWFEESA-N -1 1 382.472 1.568 20 0 GDADMM CC1(C)CC(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575638448 950835622 /nfs/dbraw/zinc/83/56/22/950835622.db2.gz DFWWJJBMUKKVMM-SNPRPXQTSA-N -1 1 382.472 1.709 20 0 GDADMM CC1(C)CC(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575638448 950835642 /nfs/dbraw/zinc/83/56/42/950835642.db2.gz DFWWJJBMUKKVMM-SNPRPXQTSA-N -1 1 382.472 1.709 20 0 GDADMM CC(C)(F)C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)CC(C)(C)C1 ZINC001575639046 950857529 /nfs/dbraw/zinc/85/75/29/950857529.db2.gz NYFQZHOJYALUDT-NSHDSACASA-N -1 1 376.440 1.516 20 0 GDADMM CC(C)(F)C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)CC(C)(C)C1 ZINC001575639046 950857550 /nfs/dbraw/zinc/85/75/50/950857550.db2.gz NYFQZHOJYALUDT-NSHDSACASA-N -1 1 376.440 1.516 20 0 GDADMM CC(C)n1cnc(C(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)[C@H]2C)c1 ZINC001575935468 950881333 /nfs/dbraw/zinc/88/13/33/950881333.db2.gz WUUKUTQGPMWQLQ-VXGBXAGGSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1cnc(C(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)[C@H]2C)c1 ZINC001575935468 950881344 /nfs/dbraw/zinc/88/13/44/950881344.db2.gz WUUKUTQGPMWQLQ-VXGBXAGGSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)(CC(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)CC(F)F ZINC001573893480 950885353 /nfs/dbraw/zinc/88/53/53/950885353.db2.gz HUUVQWBEUDKRFJ-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)(CC(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)CC(F)F ZINC001573893480 950885369 /nfs/dbraw/zinc/88/53/69/950885369.db2.gz HUUVQWBEUDKRFJ-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)CCCC(=O)N1C[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001574189691 950897772 /nfs/dbraw/zinc/89/77/72/950897772.db2.gz QDIFGXPSWOGZCP-CABCVRRESA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)CCCC(=O)N1C[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001574189691 950897792 /nfs/dbraw/zinc/89/77/92/950897792.db2.gz QDIFGXPSWOGZCP-CABCVRRESA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H]1CN(C(=O)C2(F)CCCC2)CC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576227134 950902632 /nfs/dbraw/zinc/90/26/32/950902632.db2.gz CGVVUJGLVIAAJV-STQMWFEESA-N -1 1 388.451 1.836 20 0 GDADMM C[C@H]1CN(C(=O)C2(F)CCCC2)CC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576227134 950902647 /nfs/dbraw/zinc/90/26/47/950902647.db2.gz CGVVUJGLVIAAJV-STQMWFEESA-N -1 1 388.451 1.836 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1nc(Cl)cs1 ZINC001575936495 950918011 /nfs/dbraw/zinc/91/80/11/950918011.db2.gz FQIQSFLIDBXAJR-SFYZADRCSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1nc(Cl)cs1 ZINC001575936495 950918032 /nfs/dbraw/zinc/91/80/32/950918032.db2.gz FQIQSFLIDBXAJR-SFYZADRCSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCCC(F)(F)F ZINC001575936705 950922651 /nfs/dbraw/zinc/92/26/51/950922651.db2.gz HSRICMCZPVAHHC-NXEZZACHSA-N -1 1 384.366 1.791 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCCC(F)(F)F ZINC001575936705 950922668 /nfs/dbraw/zinc/92/26/68/950922668.db2.gz HSRICMCZPVAHHC-NXEZZACHSA-N -1 1 384.366 1.791 20 0 GDADMM CC(C)(C)n1cc(CNc2nc(-c3nn[n-]n3)c(Cl)s2)c(=O)[nH]c1=O ZINC001573894529 950934488 /nfs/dbraw/zinc/93/44/88/950934488.db2.gz UYNNCOXPGPHQIL-UHFFFAOYSA-N -1 1 382.837 1.606 20 0 GDADMM CC(C)(CC(=O)NC[C@H]1CCCCN1c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001573896673 950953907 /nfs/dbraw/zinc/95/39/07/950953907.db2.gz JLLXIFQUVSUMIH-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(CC(=O)NC[C@H]1CCCCN1c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001573896673 950953929 /nfs/dbraw/zinc/95/39/29/950953929.db2.gz JLLXIFQUVSUMIH-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001573897820 950964451 /nfs/dbraw/zinc/96/44/51/950964451.db2.gz UAAWKZAOWZMEQA-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(CC(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1)C1CC1 ZINC001573898043 950972241 /nfs/dbraw/zinc/97/22/41/950972241.db2.gz VKHJXRDKDZLGHD-BETUJISGSA-N -1 1 382.472 1.378 20 0 GDADMM CC(C)(CC(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1)C1CC1 ZINC001573898043 950972258 /nfs/dbraw/zinc/97/22/58/950972258.db2.gz VKHJXRDKDZLGHD-BETUJISGSA-N -1 1 382.472 1.378 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573899519 950979261 /nfs/dbraw/zinc/97/92/61/950979261.db2.gz BOJJHRDFIYBASZ-DTORHVGOSA-N -1 1 384.366 1.694 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573899519 950979269 /nfs/dbraw/zinc/97/92/69/950979269.db2.gz BOJJHRDFIYBASZ-DTORHVGOSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)F)o1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575017345 950988818 /nfs/dbraw/zinc/98/88/18/950988818.db2.gz DNZJXHMIIRNDSA-QMMMGPOBSA-N -1 1 378.343 1.442 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)F)o1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575017345 950988830 /nfs/dbraw/zinc/98/88/30/950988830.db2.gz DNZJXHMIIRNDSA-QMMMGPOBSA-N -1 1 378.343 1.442 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(=O)[nH]c1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575019075 951029961 /nfs/dbraw/zinc/02/99/61/951029961.db2.gz QZCSFIOUILIECI-LURJTMIESA-N -1 1 380.821 1.308 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)c(Cl)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575022111 951070452 /nfs/dbraw/zinc/07/04/52/951070452.db2.gz HLEIMIIUFMEDSD-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)c(Cl)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575022111 951070463 /nfs/dbraw/zinc/07/04/63/951070463.db2.gz HLEIMIIUFMEDSD-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C2CC2)cn1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575024148 951093042 /nfs/dbraw/zinc/09/30/42/951093042.db2.gz WHHOWYYYYKTERM-NSHDSACASA-N -1 1 379.428 1.407 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C2CC2)cn1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575024148 951093057 /nfs/dbraw/zinc/09/30/57/951093057.db2.gz WHHOWYYYYKTERM-NSHDSACASA-N -1 1 379.428 1.407 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCO2)CNc1nccnc1-c1nnn[n-]1 ZINC001575024654 951109367 /nfs/dbraw/zinc/10/93/67/951109367.db2.gz KADKLIMOTXRBBI-NSHDSACASA-N -1 1 380.412 1.070 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCO2)CNc1nccnc1-c1nn[n-]n1 ZINC001575024654 951109371 /nfs/dbraw/zinc/10/93/71/951109371.db2.gz KADKLIMOTXRBBI-NSHDSACASA-N -1 1 380.412 1.070 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)C[C@@H](C)O2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575025292 951127963 /nfs/dbraw/zinc/12/79/63/951127963.db2.gz XBYNANZMINUVNF-WDEREUQCSA-N -1 1 380.412 1.211 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)C[C@@H](C)O2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575025292 951127972 /nfs/dbraw/zinc/12/79/72/951127972.db2.gz XBYNANZMINUVNF-WDEREUQCSA-N -1 1 380.412 1.211 20 0 GDADMM C[C@H](CNC(=O)c1cccc(C(F)F)c1F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575025933 951136878 /nfs/dbraw/zinc/13/68/78/951136878.db2.gz CYHMHZLUPNSBHD-MRVPVSSYSA-N -1 1 392.345 1.386 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(C2CC2)c1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575026759 951147790 /nfs/dbraw/zinc/14/77/90/951147790.db2.gz NBIPQHRCKQAEOL-LBPRGKRZSA-N -1 1 378.440 1.789 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2nccnc21)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575026994 951150684 /nfs/dbraw/zinc/15/06/84/951150684.db2.gz BWPZQUZHFFEDDN-LLVKDONJSA-N -1 1 390.411 1.078 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2nccnc21)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575026994 951150687 /nfs/dbraw/zinc/15/06/87/951150687.db2.gz BWPZQUZHFFEDDN-LLVKDONJSA-N -1 1 390.411 1.078 20 0 GDADMM C[C@H](CNC(=O)c1cccc(F)c1Cl)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575027712 951163087 /nfs/dbraw/zinc/16/30/87/951163087.db2.gz IRPLADCVWLDSCJ-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1cccc(F)c1Cl)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575027712 951163094 /nfs/dbraw/zinc/16/30/94/951163094.db2.gz IRPLADCVWLDSCJ-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1cccnn1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001575031729 951202279 /nfs/dbraw/zinc/20/22/79/951202279.db2.gz HVVKVXCAFSAJMQ-ZETCQYMHSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@@H](CNC(=O)c1cccnn1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001575031729 951202282 /nfs/dbraw/zinc/20/22/82/951202282.db2.gz HVVKVXCAFSAJMQ-ZETCQYMHSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@@H](CNC(=O)c1ccccn1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575032208 951219649 /nfs/dbraw/zinc/21/96/49/951219649.db2.gz UBORJOGRFSKLBH-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@@H](CNC(=O)c1ccccn1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575032208 951219654 /nfs/dbraw/zinc/21/96/54/951219654.db2.gz UBORJOGRFSKLBH-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@H](CNC(=O)c1ccncc1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575034181 951241211 /nfs/dbraw/zinc/24/12/11/951241211.db2.gz IYBHRMRYTBKZPV-MRVPVSSYSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@H](CNC(=O)c1ccncc1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575034181 951241220 /nfs/dbraw/zinc/24/12/20/951241220.db2.gz IYBHRMRYTBKZPV-MRVPVSSYSA-N -1 1 378.849 1.850 20 0 GDADMM CC(C)Oc1cc(C(=O)NC[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)ccn1 ZINC001575036686 951298361 /nfs/dbraw/zinc/29/83/61/951298361.db2.gz VXFIPGQCJFSCPO-LLVKDONJSA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1cc(C(=O)NC[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)ccn1 ZINC001575036686 951298371 /nfs/dbraw/zinc/29/83/71/951298371.db2.gz VXFIPGQCJFSCPO-LLVKDONJSA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1cc(C(=O)NC[C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)ccn1 ZINC001575036923 951303631 /nfs/dbraw/zinc/30/36/31/951303631.db2.gz YROUGVOWWKJDGY-LLVKDONJSA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1cc(C(=O)NC[C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)ccn1 ZINC001575036923 951303637 /nfs/dbraw/zinc/30/36/37/951303637.db2.gz YROUGVOWWKJDGY-LLVKDONJSA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)(C)NC(=O)CN1CCC(CNC(=O)c2coc(/C=C\C(=O)[O-])c2)CC1 ZINC001602869631 971740260 /nfs/dbraw/zinc/74/02/60/971740260.db2.gz BCIDRSBJIVNMHI-PLNGDYQASA-N -1 1 391.468 1.734 20 0 GDADMM C[C@H](CNC(=O)c1cn(-c2ccccc2)cn1)Nc1nccnc1-c1nnn[n-]1 ZINC001575040378 951341811 /nfs/dbraw/zinc/34/18/11/951341811.db2.gz WAVWYHUFMQBIBO-GFCCVEGCSA-N -1 1 390.411 1.073 20 0 GDADMM C[C@H](CNC(=O)c1cn(-c2ccccc2)cn1)Nc1nccnc1-c1nn[n-]n1 ZINC001575040378 951341828 /nfs/dbraw/zinc/34/18/28/951341828.db2.gz WAVWYHUFMQBIBO-GFCCVEGCSA-N -1 1 390.411 1.073 20 0 GDADMM C[C@H](CNC(=O)c1cn(C)cn1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575042017 951356194 /nfs/dbraw/zinc/35/61/94/951356194.db2.gz FVJVQHTYQFDUSS-SSDOTTSWSA-N -1 1 381.853 1.188 20 0 GDADMM C[C@H](CNC(=O)c1cn(C)cn1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575042017 951356208 /nfs/dbraw/zinc/35/62/08/951356208.db2.gz FVJVQHTYQFDUSS-SSDOTTSWSA-N -1 1 381.853 1.188 20 0 GDADMM C[C@@H](CNC(=O)c1cn(C)c2ccccc12)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575042582 951365627 /nfs/dbraw/zinc/36/56/27/951365627.db2.gz KZRVWHWHWLEYAI-GFCCVEGCSA-N -1 1 391.439 1.626 20 0 GDADMM C[C@@H](CNC(=O)c1cn(C)c2ccccc12)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575042582 951365640 /nfs/dbraw/zinc/36/56/40/951365640.db2.gz KZRVWHWHWLEYAI-GFCCVEGCSA-N -1 1 391.439 1.626 20 0 GDADMM CCOc1ccccc1-c1cc(C(=O)N(CCC(=O)OC)CC(=O)[O-])n[nH]1 ZINC001592993855 951384450 /nfs/dbraw/zinc/38/44/50/951384450.db2.gz VISFWDAIPCKATD-UHFFFAOYSA-N -1 1 375.381 1.565 20 0 GDADMM C[C@@H](CNC(=O)c1cnc(C(C)(C)C)s1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575043716 951402565 /nfs/dbraw/zinc/40/25/65/951402565.db2.gz MKXIOBDKNIEQOX-VIFPVBQESA-N -1 1 387.473 1.641 20 0 GDADMM C[C@@H](CNC(=O)c1cnc(C(C)(C)C)s1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575043716 951402580 /nfs/dbraw/zinc/40/25/80/951402580.db2.gz MKXIOBDKNIEQOX-VIFPVBQESA-N -1 1 387.473 1.641 20 0 GDADMM C[C@H](CNC(=O)c1cnns1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575054571 951493763 /nfs/dbraw/zinc/49/37/63/951493763.db2.gz IXHWRQVUJOKMND-RXMQYKEDSA-N -1 1 385.866 1.306 20 0 GDADMM C[C@H](CNC(=O)c1cnns1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575054571 951493769 /nfs/dbraw/zinc/49/37/69/951493769.db2.gz IXHWRQVUJOKMND-RXMQYKEDSA-N -1 1 385.866 1.306 20 0 GDADMM C[C@H](CNC(=O)c1csc(Cl)c1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575056928 951524709 /nfs/dbraw/zinc/52/47/09/951524709.db2.gz MVZXEFQCNCHVJC-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@H](CNC(=O)c1csc(Cl)c1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575056928 951524714 /nfs/dbraw/zinc/52/47/14/951524714.db2.gz MVZXEFQCNCHVJC-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@@H](CNC(=O)c1coc(C(F)F)c1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575056931 951525206 /nfs/dbraw/zinc/52/52/06/951525206.db2.gz MWPGVYJNBYZIAN-QMMMGPOBSA-N -1 1 378.343 1.442 20 0 GDADMM C[C@@H](CNC(=O)c1coc(C(F)F)c1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575056931 951525211 /nfs/dbraw/zinc/52/52/11/951525211.db2.gz MWPGVYJNBYZIAN-QMMMGPOBSA-N -1 1 378.343 1.442 20 0 GDADMM CC(C)c1nc(C(=O)NC[C@H](C)CNc2nccnc2-c2nnn[n-]2)cs1 ZINC001575058122 951535840 /nfs/dbraw/zinc/53/58/40/951535840.db2.gz UWUGSIRMUQPVGH-SNVBAGLBSA-N -1 1 387.473 1.715 20 0 GDADMM CC(C)c1nc(C(=O)NC[C@H](C)CNc2nccnc2-c2nn[n-]n2)cs1 ZINC001575058122 951535849 /nfs/dbraw/zinc/53/58/49/951535849.db2.gz UWUGSIRMUQPVGH-SNVBAGLBSA-N -1 1 387.473 1.715 20 0 GDADMM C[C@@H](CNC(=O)c1nc(C(C)(C)C)cs1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575060683 951544968 /nfs/dbraw/zinc/54/49/68/951544968.db2.gz CZFRMTHOZHGZSZ-VIFPVBQESA-N -1 1 387.473 1.641 20 0 GDADMM C[C@@H](CNC(=O)c1nc(C(C)(C)C)cs1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575060683 951544972 /nfs/dbraw/zinc/54/49/72/951544972.db2.gz CZFRMTHOZHGZSZ-VIFPVBQESA-N -1 1 387.473 1.641 20 0 GDADMM C[C@@H](CNC(=O)c1ncc(Cl)s1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575061833 951561939 /nfs/dbraw/zinc/56/19/39/951561939.db2.gz PWIHNUBBIJTHQB-SSDOTTSWSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1ncc(Cl)s1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575061833 951561948 /nfs/dbraw/zinc/56/19/48/951561948.db2.gz PWIHNUBBIJTHQB-SSDOTTSWSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1noc2c1CCCC2)CNc1nccnc1-c1nnn[n-]1 ZINC001575066896 951600156 /nfs/dbraw/zinc/60/01/56/951600156.db2.gz NLVQBDIDTWQPDI-SNVBAGLBSA-N -1 1 383.416 1.002 20 0 GDADMM C[C@@H](CNC(=O)c1noc2c1CCCC2)CNc1nccnc1-c1nn[n-]n1 ZINC001575066896 951600160 /nfs/dbraw/zinc/60/01/60/951600160.db2.gz NLVQBDIDTWQPDI-SNVBAGLBSA-N -1 1 383.416 1.002 20 0 GDADMM CC(C)c1scnc1C(=O)NC[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575067313 951608691 /nfs/dbraw/zinc/60/86/91/951608691.db2.gz RCZRQTNAHFGUNH-SNVBAGLBSA-N -1 1 387.473 1.137 20 0 GDADMM C[C@@H](CNC(=O)c1scnc1Cl)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575069596 951645664 /nfs/dbraw/zinc/64/56/64/951645664.db2.gz KZEKGIBFKQFILD-SSDOTTSWSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1scnc1Cl)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575069596 951645667 /nfs/dbraw/zinc/64/56/67/951645667.db2.gz KZEKGIBFKQFILD-SSDOTTSWSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1sccc1Cl)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575070700 951653545 /nfs/dbraw/zinc/65/35/45/951653545.db2.gz TZXCCGJIAAHRDZ-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@@H](CNC(=O)c1sccc1Cl)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575070700 951653550 /nfs/dbraw/zinc/65/35/50/951653550.db2.gz TZXCCGJIAAHRDZ-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM O=C([O-])CS(=O)(=O)CCN[C@H](CCO)c1cccc(OC(F)(F)F)c1 ZINC001595124700 952003662 /nfs/dbraw/zinc/00/36/62/952003662.db2.gz XCAHWRJEDYEHCT-GFCCVEGCSA-N -1 1 385.360 1.098 20 0 GDADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)[C@@H]1CCC(F)(F)C1)C1CC1 ZINC001575127939 952061195 /nfs/dbraw/zinc/06/11/95/952061195.db2.gz DNDQLHWNCJVBQZ-QLJPJBMISA-N -1 1 392.414 1.789 20 0 GDADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)[C@@H]1CCC(F)(F)C1)C1CC1 ZINC001575127939 952061203 /nfs/dbraw/zinc/06/12/03/952061203.db2.gz DNDQLHWNCJVBQZ-QLJPJBMISA-N -1 1 392.414 1.789 20 0 GDADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)c1cccc(F)c1)C1CC1 ZINC001575128621 952070329 /nfs/dbraw/zinc/07/03/29/952070329.db2.gz KKKZCLILEARLDK-SFHVURJKSA-N -1 1 382.403 1.806 20 0 GDADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)c1cccc(F)c1)C1CC1 ZINC001575128621 952070342 /nfs/dbraw/zinc/07/03/42/952070342.db2.gz KKKZCLILEARLDK-SFHVURJKSA-N -1 1 382.403 1.806 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)C1(c2ccccn2)CC1 ZINC001575132948 952100975 /nfs/dbraw/zinc/10/09/75/952100975.db2.gz ITCZQYMBNOYGIF-LBPRGKRZSA-N -1 1 379.428 1.042 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)C1(c2ccccn2)CC1 ZINC001575132948 952100977 /nfs/dbraw/zinc/10/09/77/952100977.db2.gz ITCZQYMBNOYGIF-LBPRGKRZSA-N -1 1 379.428 1.042 20 0 GDADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)C1CCC(F)CC1)C1CC1 ZINC001575133178 952102695 /nfs/dbraw/zinc/10/26/95/952102695.db2.gz BWBLRENEOSNADI-LJMKFJKQSA-N -1 1 388.451 1.304 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)COc1ccccc1F ZINC001575133558 952105251 /nfs/dbraw/zinc/10/52/51/952105251.db2.gz LDPIIXXBNKWMOR-LLVKDONJSA-N -1 1 386.391 1.134 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)COc1ccccc1F ZINC001575133558 952105260 /nfs/dbraw/zinc/10/52/60/952105260.db2.gz LDPIIXXBNKWMOR-LLVKDONJSA-N -1 1 386.391 1.134 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1nc(Cl)cs1 ZINC001575135160 952116497 /nfs/dbraw/zinc/11/64/97/952116497.db2.gz KLBFUXYKMMRDMW-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1nc(Cl)cs1 ZINC001575135160 952116500 /nfs/dbraw/zinc/11/65/00/952116500.db2.gz KLBFUXYKMMRDMW-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@H]1CCc2cccnc21 ZINC001575136992 952132568 /nfs/dbraw/zinc/13/25/68/952132568.db2.gz YWOBQIMKIDDOGA-YPMHNXCESA-N -1 1 379.428 1.041 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@H]1CCc2cccnc21 ZINC001575136992 952132572 /nfs/dbraw/zinc/13/25/72/952132572.db2.gz YWOBQIMKIDDOGA-YPMHNXCESA-N -1 1 379.428 1.041 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1csc(Cl)c1 ZINC001575137064 952133859 /nfs/dbraw/zinc/13/38/59/952133859.db2.gz SQXFQMKINAQRSK-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1csc(Cl)c1 ZINC001575137064 952133865 /nfs/dbraw/zinc/13/38/65/952133865.db2.gz SQXFQMKINAQRSK-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ccsc1Cl ZINC001575137101 952133925 /nfs/dbraw/zinc/13/39/25/952133925.db2.gz UJROGQZGMVIYSC-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ccsc1Cl ZINC001575137101 952133930 /nfs/dbraw/zinc/13/39/30/952133930.db2.gz UJROGQZGMVIYSC-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1coc(C(C)(C)C)n1 ZINC001575137360 952137020 /nfs/dbraw/zinc/13/70/20/952137020.db2.gz XBYQCGUKUIBDTC-SNVBAGLBSA-N -1 1 385.432 1.515 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1coc(C(C)(C)C)n1 ZINC001575137360 952137026 /nfs/dbraw/zinc/13/70/26/952137026.db2.gz XBYQCGUKUIBDTC-SNVBAGLBSA-N -1 1 385.432 1.515 20 0 GDADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)[C@@H]1CCC(F)(F)C1)C1CC1 ZINC001575137457 952139387 /nfs/dbraw/zinc/13/93/87/952139387.db2.gz ZMTPNPLAPCIVGU-HWPZZCPQSA-N -1 1 392.414 1.211 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)CCc1ccc(F)cc1 ZINC001575142793 952148040 /nfs/dbraw/zinc/14/80/40/952148040.db2.gz LUSQLVKDIKBJFP-GFCCVEGCSA-N -1 1 384.419 1.109 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001575143637 952156761 /nfs/dbraw/zinc/15/67/61/952156761.db2.gz QFTAKVIGMPKYFS-TTZDDIAXSA-N -1 1 384.488 1.554 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(F)cc(Cl)c1 ZINC001575144473 952167956 /nfs/dbraw/zinc/16/79/56/952167956.db2.gz ISBPDUZXCLMKRI-SECBINFHSA-N -1 1 390.810 1.444 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)Cc1ccccc1Cl ZINC001575144851 952173457 /nfs/dbraw/zinc/17/34/57/952173457.db2.gz YHUVFLCBDQXLAT-NSHDSACASA-N -1 1 386.847 1.234 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)Oc1ccccc1Br ZINC001575145529 952185849 /nfs/dbraw/zinc/18/58/49/952185849.db2.gz ZJRKTAOTKIEOCF-SECBINFHSA-N -1 1 376.218 1.721 20 0 GDADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)[C@H]1CCC(F)(F)C1)C1CC1 ZINC001575146217 952192491 /nfs/dbraw/zinc/19/24/91/952192491.db2.gz IENJWZMRSJLFES-MGPLVRAMSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)[C@H]1CCC(F)(F)C1)C1CC1 ZINC001575146217 952192495 /nfs/dbraw/zinc/19/24/95/952192495.db2.gz IENJWZMRSJLFES-MGPLVRAMSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)CC[C@@H]1CCOC1)C1CC1 ZINC001575147145 952199018 /nfs/dbraw/zinc/19/90/18/952199018.db2.gz RARXBUNUEJSDHI-KZULUSFZSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)CC[C@@H]1CCOC1)C1CC1 ZINC001575147145 952199024 /nfs/dbraw/zinc/19/90/24/952199024.db2.gz RARXBUNUEJSDHI-KZULUSFZSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)CC[C@@H]1CCOC1)C1CC1 ZINC001575147147 952199223 /nfs/dbraw/zinc/19/92/23/952199223.db2.gz RARXBUNUEJSDHI-XIKOKIGWSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)CC[C@@H]1CCOC1)C1CC1 ZINC001575147147 952199228 /nfs/dbraw/zinc/19/92/28/952199228.db2.gz RARXBUNUEJSDHI-XIKOKIGWSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)c1occc1Cl)C1CC1 ZINC001575152898 952203903 /nfs/dbraw/zinc/20/39/03/952203903.db2.gz ABCZVLNSNMHMAA-MRXNPFEDSA-N -1 1 388.819 1.914 20 0 GDADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)c1occc1Cl)C1CC1 ZINC001575152898 952203908 /nfs/dbraw/zinc/20/39/08/952203908.db2.gz ABCZVLNSNMHMAA-MRXNPFEDSA-N -1 1 388.819 1.914 20 0 GDADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)C[C@@H]1C[C@H]1C1CC1)C1CC1 ZINC001575153844 952213819 /nfs/dbraw/zinc/21/38/19/952213819.db2.gz LLWFKABWTAJLGN-PTAUBWNISA-N -1 1 382.472 1.790 20 0 GDADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)C[C@@H]1C[C@H]1C1CC1)C1CC1 ZINC001575153844 952213829 /nfs/dbraw/zinc/21/38/29/952213829.db2.gz LLWFKABWTAJLGN-PTAUBWNISA-N -1 1 382.472 1.790 20 0 GDADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)C1CCC(F)CC1)C1CC1 ZINC001575154274 952219135 /nfs/dbraw/zinc/21/91/35/952219135.db2.gz AGZNHQMAJPLMMC-LPSAFJIBSA-N -1 1 388.451 1.882 20 0 GDADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)C1CCC(F)CC1)C1CC1 ZINC001575154274 952219139 /nfs/dbraw/zinc/21/91/39/952219139.db2.gz AGZNHQMAJPLMMC-LPSAFJIBSA-N -1 1 388.451 1.882 20 0 GDADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)[C@@H]1C[C@H]1C1CCC1)C1CC1 ZINC001575154325 952220219 /nfs/dbraw/zinc/22/02/19/952220219.db2.gz BHQMPBGZWHYNAM-IQUTYRLHSA-N -1 1 382.472 1.790 20 0 GDADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)[C@@H]1C[C@H]1C1CCC1)C1CC1 ZINC001575154325 952220224 /nfs/dbraw/zinc/22/02/24/952220224.db2.gz BHQMPBGZWHYNAM-IQUTYRLHSA-N -1 1 382.472 1.790 20 0 GDADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)c1ccc(F)s1)C1CC1 ZINC001575154967 952233380 /nfs/dbraw/zinc/23/33/80/952233380.db2.gz IYQMHZMRLOHGKZ-MRXNPFEDSA-N -1 1 388.432 1.868 20 0 GDADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)c1ccc(F)s1)C1CC1 ZINC001575154967 952233387 /nfs/dbraw/zinc/23/33/87/952233387.db2.gz IYQMHZMRLOHGKZ-MRXNPFEDSA-N -1 1 388.432 1.868 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC001575155190 952236523 /nfs/dbraw/zinc/23/65/23/952236523.db2.gz XKOGQVIFCXOLJD-PZLGEANOSA-N -1 1 390.451 1.501 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC001575155190 952236530 /nfs/dbraw/zinc/23/65/30/952236530.db2.gz XKOGQVIFCXOLJD-PZLGEANOSA-N -1 1 390.451 1.501 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)C(C)(C)c1ccccc1 ZINC001575155202 952237049 /nfs/dbraw/zinc/23/70/49/952237049.db2.gz XWDQOFVFTWRXFK-ZDUSSCGKSA-N -1 1 380.456 1.893 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)C(C)(C)c1ccccc1 ZINC001575155202 952237056 /nfs/dbraw/zinc/23/70/56/952237056.db2.gz XWDQOFVFTWRXFK-ZDUSSCGKSA-N -1 1 380.456 1.893 20 0 GDADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)c1cc(Cl)c[nH]1)C1CC1 ZINC001575157236 952261924 /nfs/dbraw/zinc/26/19/24/952261924.db2.gz YIKMZIVMZOCRDY-MRXNPFEDSA-N -1 1 387.835 1.649 20 0 GDADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)c1cc(Cl)c[nH]1)C1CC1 ZINC001575157236 952261930 /nfs/dbraw/zinc/26/19/30/952261930.db2.gz YIKMZIVMZOCRDY-MRXNPFEDSA-N -1 1 387.835 1.649 20 0 GDADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)c1cn(C)cn1 ZINC001575164217 952288652 /nfs/dbraw/zinc/28/86/52/952288652.db2.gz CAZLNARPBDXEKR-ZETCQYMHSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)c1cnn(C)c1 ZINC001575165112 952304684 /nfs/dbraw/zinc/30/46/84/952304684.db2.gz LHQFNTODNOZJNN-SSDOTTSWSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCc2cccnc21 ZINC001575173874 952357213 /nfs/dbraw/zinc/35/72/13/952357213.db2.gz BWHPPOQBLJPQKC-WCQYABFASA-N -1 1 379.428 1.041 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCc2cccnc21 ZINC001575173874 952357221 /nfs/dbraw/zinc/35/72/21/952357221.db2.gz BWHPPOQBLJPQKC-WCQYABFASA-N -1 1 379.428 1.041 20 0 GDADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)[C@@H]1CC12CCCC2)C1CC1 ZINC001575174030 952361701 /nfs/dbraw/zinc/36/17/01/952361701.db2.gz FNEGYLJGGVJCJW-SCLBCKFNSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)[C@@H]1CC12CCCC2)C1CC1 ZINC001575174030 952361709 /nfs/dbraw/zinc/36/17/09/952361709.db2.gz FNEGYLJGGVJCJW-SCLBCKFNSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)C=Cc1ccc[nH]1)C1CC1 ZINC001575174331 952369099 /nfs/dbraw/zinc/36/90/99/952369099.db2.gz MICIQOOXTLYHEZ-MJRGOJFPSA-N -1 1 379.428 1.395 20 0 GDADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)C=Cc1ccc[nH]1)C1CC1 ZINC001575174331 952369109 /nfs/dbraw/zinc/36/91/09/952369109.db2.gz MICIQOOXTLYHEZ-MJRGOJFPSA-N -1 1 379.428 1.395 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ccnn1C1CCC1 ZINC001575174602 952377366 /nfs/dbraw/zinc/37/73/66/952377366.db2.gz AJBCUEPLTSABJW-LLVKDONJSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ccnn1C1CCC1 ZINC001575174602 952377371 /nfs/dbraw/zinc/37/73/71/952377371.db2.gz AJBCUEPLTSABJW-LLVKDONJSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCCOC1 ZINC001575177103 952396952 /nfs/dbraw/zinc/39/69/52/952396952.db2.gz GSHVVOWWLKHEAV-BDAKNGLRSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCCOC1 ZINC001575177103 952396960 /nfs/dbraw/zinc/39/69/60/952396960.db2.gz GSHVVOWWLKHEAV-BDAKNGLRSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)[C@@]1(F)CCOC1 ZINC001575178744 952407902 /nfs/dbraw/zinc/40/79/02/952407902.db2.gz MDZRZUSQOLTAGY-WPPNPWJKSA-N -1 1 389.844 1.364 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)[C@@]1(F)CCOC1 ZINC001575178744 952407909 /nfs/dbraw/zinc/40/79/09/952407909.db2.gz MDZRZUSQOLTAGY-WPPNPWJKSA-N -1 1 389.844 1.364 20 0 GDADMM C[C@H](Cc1ccccc1F)C(=O)NCCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575190519 952463091 /nfs/dbraw/zinc/46/30/91/952463091.db2.gz TVSYHKABUJIQRG-GFCCVEGCSA-N -1 1 384.419 1.227 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575195835 952472073 /nfs/dbraw/zinc/47/20/73/952472073.db2.gz BXKJHKFELUZTBR-CHWSQXEVSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575195835 952472077 /nfs/dbraw/zinc/47/20/77/952472077.db2.gz BXKJHKFELUZTBR-CHWSQXEVSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575197232 952480795 /nfs/dbraw/zinc/48/07/95/952480795.db2.gz QOXXSGWOYITBME-STQMWFEESA-N -1 1 382.428 1.214 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575197232 952480804 /nfs/dbraw/zinc/48/08/04/952480804.db2.gz QOXXSGWOYITBME-STQMWFEESA-N -1 1 382.428 1.214 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001575197383 952482744 /nfs/dbraw/zinc/48/27/44/952482744.db2.gz VFXRLPDOYWQNSL-GFCCVEGCSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001575197383 952482748 /nfs/dbraw/zinc/48/27/48/952482748.db2.gz VFXRLPDOYWQNSL-GFCCVEGCSA-N -1 1 382.428 1.214 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC(C)(C)CC2CCCCCC2)n(C)c1=O ZINC001571117596 952483019 /nfs/dbraw/zinc/48/30/19/952483019.db2.gz NRRLWYQJFNLWRK-UHFFFAOYSA-N -1 1 375.477 1.815 20 0 GDADMM CC(C)[C@H](CNC(=O)[C@@H](C)Cc1ccco1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575197380 952483280 /nfs/dbraw/zinc/48/32/80/952483280.db2.gz VFTNOIHVCQOAHL-JSGCOSHPSA-N -1 1 384.444 1.681 20 0 GDADMM CC(C)[C@H](CNC(=O)[C@@H](C)Cc1ccco1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575197380 952483284 /nfs/dbraw/zinc/48/32/84/952483284.db2.gz VFTNOIHVCQOAHL-JSGCOSHPSA-N -1 1 384.444 1.681 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575197631 952486284 /nfs/dbraw/zinc/48/62/84/952486284.db2.gz YBPAFFWQHUCMCB-CHWSQXEVSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575197631 952486287 /nfs/dbraw/zinc/48/62/87/952486287.db2.gz YBPAFFWQHUCMCB-CHWSQXEVSA-N -1 1 382.428 1.214 20 0 GDADMM O=C(C1Cc2ccccc2C1)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571119758 952494125 /nfs/dbraw/zinc/49/41/25/952494125.db2.gz FKPABKJOXYEJLL-HNNXBMFYSA-N -1 1 376.424 1.085 20 0 GDADMM O=C(C1Cc2ccccc2C1)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571119758 952494131 /nfs/dbraw/zinc/49/41/31/952494131.db2.gz FKPABKJOXYEJLL-HNNXBMFYSA-N -1 1 376.424 1.085 20 0 GDADMM O=C(NC[C@@H](O)Cc1cccc(Cl)c1)c1cccc(F)c1-c1nnn[n-]1 ZINC001571119930 952496501 /nfs/dbraw/zinc/49/65/01/952496501.db2.gz HCGINMLNLZMLJQ-LBPRGKRZSA-N -1 1 375.791 1.993 20 0 GDADMM O=C(NC[C@@H](O)Cc1cccc(Cl)c1)c1cccc(F)c1-c1nn[n-]n1 ZINC001571119930 952496505 /nfs/dbraw/zinc/49/65/05/952496505.db2.gz HCGINMLNLZMLJQ-LBPRGKRZSA-N -1 1 375.791 1.993 20 0 GDADMM CC(C)COC[C@H](O)CNC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001571120216 952500253 /nfs/dbraw/zinc/50/02/53/952500253.db2.gz JMRWUCQSUYCWOM-SSDOTTSWSA-N -1 1 375.842 1.132 20 0 GDADMM O=c1ccc(-c2nn[n-]n2)cn1Cc1cc2c(c(Br)c1)OCO2 ZINC001571120988 952512547 /nfs/dbraw/zinc/51/25/47/952512547.db2.gz TZMDWNSCLKPLSA-UHFFFAOYSA-N -1 1 376.170 1.568 20 0 GDADMM CC(C)[C@H](F)C(=O)N1CCC[C@@H](CN(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571121955 952523757 /nfs/dbraw/zinc/52/37/57/952523757.db2.gz GGBGGRWOWNMTHC-WFASDCNBSA-N -1 1 376.440 1.326 20 0 GDADMM CC(C)[C@H](F)C(=O)N1CCC[C@@H](CN(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571121955 952523768 /nfs/dbraw/zinc/52/37/68/952523768.db2.gz GGBGGRWOWNMTHC-WFASDCNBSA-N -1 1 376.440 1.326 20 0 GDADMM CS[C@H](C)C(=O)N1C[C@@H](C)[C@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001571122777 952526141 /nfs/dbraw/zinc/52/61/41/952526141.db2.gz KUDBMUVLWBLZIA-IJLUTSLNSA-N -1 1 376.490 1.305 20 0 GDADMM CS[C@H](C)C(=O)N1C[C@@H](C)[C@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001571122777 952526144 /nfs/dbraw/zinc/52/61/44/952526144.db2.gz KUDBMUVLWBLZIA-IJLUTSLNSA-N -1 1 376.490 1.305 20 0 GDADMM CC[C@@H](SC)C(=O)N1CCC[C@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001571122816 952526358 /nfs/dbraw/zinc/52/63/58/952526358.db2.gz LZQFJYAAVRNMEF-NWDGAFQWSA-N -1 1 376.490 1.226 20 0 GDADMM O=C(c1sccc1Cl)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571123679 952530856 /nfs/dbraw/zinc/53/08/56/952530856.db2.gz UEQTXDXPGLRGPH-MRVPVSSYSA-N -1 1 376.833 1.698 20 0 GDADMM O=C(c1sccc1Cl)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571123679 952530860 /nfs/dbraw/zinc/53/08/60/952530860.db2.gz UEQTXDXPGLRGPH-MRVPVSSYSA-N -1 1 376.833 1.698 20 0 GDADMM CCc1nc(NC[C@H]2CCCN(C(=O)[C@H](F)CC)C2)cc(-c2nnn[n-]2)n1 ZINC001571123696 952532104 /nfs/dbraw/zinc/53/21/04/952532104.db2.gz UEZRTJFDDFMJHG-VXGBXAGGSA-N -1 1 376.440 1.618 20 0 GDADMM CCc1nc(NC[C@H]2CCCN(C(=O)[C@H](F)CC)C2)cc(-c2nn[n-]n2)n1 ZINC001571123696 952532109 /nfs/dbraw/zinc/53/21/09/952532109.db2.gz UEZRTJFDDFMJHG-VXGBXAGGSA-N -1 1 376.440 1.618 20 0 GDADMM Cc1nsc(NC[C@H]2CCN(C(=O)c3nccs3)C2)c1-c1nn[n-]n1 ZINC001571124073 952534214 /nfs/dbraw/zinc/53/42/14/952534214.db2.gz YKDRLCPYYIBCNQ-SECBINFHSA-N -1 1 376.471 1.662 20 0 GDADMM Cc1nsc(NC[C@H]2CN(C(=O)[C@@H]3C[C@H]3C)CCCO2)c1-c1nn[n-]n1 ZINC001571127314 952553586 /nfs/dbraw/zinc/55/35/86/952553586.db2.gz CSFNIHRIHFEEAZ-ADEWGFFLSA-N -1 1 377.474 1.317 20 0 GDADMM CO[C@@H](C(=O)N1CCC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1)C1CC1 ZINC001571127370 952554370 /nfs/dbraw/zinc/55/43/70/952554370.db2.gz FOERHNIQUHUYBZ-DGCLKSJQSA-N -1 1 377.474 1.460 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@@H](Nc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001575213602 952558793 /nfs/dbraw/zinc/55/87/93/952558793.db2.gz BWAJJOJJYBNKJK-SNVBAGLBSA-N -1 1 380.403 1.645 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@@H](Nc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001575213602 952558795 /nfs/dbraw/zinc/55/87/95/952558795.db2.gz BWAJJOJJYBNKJK-SNVBAGLBSA-N -1 1 380.403 1.645 20 0 GDADMM O=C(c1ccnc(C2CC2)c1)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571127687 952559015 /nfs/dbraw/zinc/55/90/15/952559015.db2.gz LZBIREFXKRAERP-CYBMUJFWSA-N -1 1 377.412 1.256 20 0 GDADMM O=C(c1ccnc(C2CC2)c1)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571127687 952559022 /nfs/dbraw/zinc/55/90/22/952559022.db2.gz LZBIREFXKRAERP-CYBMUJFWSA-N -1 1 377.412 1.256 20 0 GDADMM O=C(c1cccnc1C1CC1)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571128207 952564648 /nfs/dbraw/zinc/56/46/48/952564648.db2.gz QXZPTYBRLHUMPE-GFCCVEGCSA-N -1 1 377.412 1.256 20 0 GDADMM O=C(c1cccnc1C1CC1)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571128207 952564651 /nfs/dbraw/zinc/56/46/51/952564651.db2.gz QXZPTYBRLHUMPE-GFCCVEGCSA-N -1 1 377.412 1.256 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575214905 952566783 /nfs/dbraw/zinc/56/67/83/952566783.db2.gz PHFQPULNSLKBGU-SNVBAGLBSA-N -1 1 380.403 1.281 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575214905 952566787 /nfs/dbraw/zinc/56/67/87/952566787.db2.gz PHFQPULNSLKBGU-SNVBAGLBSA-N -1 1 380.403 1.281 20 0 GDADMM CN(c1ccnc(-c2nn[n-]n2)n1)[C@H]1CCCN(C(=O)[C@@H]2CCC2(F)F)C1 ZINC001571129339 952574005 /nfs/dbraw/zinc/57/40/05/952574005.db2.gz CNDVFNBGPKZZPG-QWRGUYRKSA-N -1 1 378.387 1.129 20 0 GDADMM O=C(CC1CC(F)(F)C1)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571130176 952578335 /nfs/dbraw/zinc/57/83/35/952578335.db2.gz PEFUDYAKDDXEOY-HOMQSWHASA-N -1 1 378.387 1.399 20 0 GDADMM O=C(CC1CC(F)(F)C1)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571130176 952578337 /nfs/dbraw/zinc/57/83/37/952578337.db2.gz PEFUDYAKDDXEOY-HOMQSWHASA-N -1 1 378.387 1.399 20 0 GDADMM Cc1cccc(C)c1C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571133961 952583589 /nfs/dbraw/zinc/58/35/89/952583589.db2.gz AEBZICIWKOECDU-CQSZACIVSA-N -1 1 378.440 1.412 20 0 GDADMM Cc1cc(C)cc(CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)CC2)c1 ZINC001571134227 952587205 /nfs/dbraw/zinc/58/72/05/952587205.db2.gz CHOKVVPHHMUTIW-UHFFFAOYSA-N -1 1 378.440 1.165 20 0 GDADMM Cc1cc(C)cc(CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)CC2)c1 ZINC001571134227 952587210 /nfs/dbraw/zinc/58/72/10/952587210.db2.gz CHOKVVPHHMUTIW-UHFFFAOYSA-N -1 1 378.440 1.165 20 0 GDADMM Cc1cc(C)cc(C(=O)NC2CC(CNc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571134221 952587720 /nfs/dbraw/zinc/58/77/20/952587720.db2.gz CEBOUFHKWGMPJV-UHFFFAOYSA-N -1 1 378.440 1.316 20 0 GDADMM Cc1ccccc1[C@@H](C)C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571134302 952589019 /nfs/dbraw/zinc/58/90/19/952589019.db2.gz HICISEOVBLLEHQ-ZIAGYGMSSA-N -1 1 378.440 1.782 20 0 GDADMM Cc1ccccc1[C@@H](C)C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571134302 952589023 /nfs/dbraw/zinc/58/90/23/952589023.db2.gz HICISEOVBLLEHQ-ZIAGYGMSSA-N -1 1 378.440 1.782 20 0 GDADMM Cc1cccc(C(=O)N(C)[C@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)c1 ZINC001571134540 952591763 /nfs/dbraw/zinc/59/17/63/952591763.db2.gz KORPSIVAAIDQJT-HNNXBMFYSA-N -1 1 378.440 1.624 20 0 GDADMM Cc1cccc(C(=O)N(C)[C@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)c1 ZINC001571134540 952591767 /nfs/dbraw/zinc/59/17/67/952591767.db2.gz KORPSIVAAIDQJT-HNNXBMFYSA-N -1 1 378.440 1.624 20 0 GDADMM CCc1ccc(C(=O)N2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C[C@H]2C)cc1 ZINC001571134559 952591825 /nfs/dbraw/zinc/59/18/25/952591825.db2.gz GUZYXTVACBEYHO-DOMZBBRYSA-N -1 1 378.440 1.934 20 0 GDADMM CCc1ccc(C(=O)N2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C[C@H]2C)cc1 ZINC001571134559 952591831 /nfs/dbraw/zinc/59/18/31/952591831.db2.gz GUZYXTVACBEYHO-DOMZBBRYSA-N -1 1 378.440 1.934 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)c(C)c1 ZINC001571134680 952593527 /nfs/dbraw/zinc/59/35/27/952593527.db2.gz LUFRUOPWACEWPF-AWEZNQCLSA-N -1 1 378.440 1.672 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)c(C)c1 ZINC001571134680 952593532 /nfs/dbraw/zinc/59/35/32/952593532.db2.gz LUFRUOPWACEWPF-AWEZNQCLSA-N -1 1 378.440 1.672 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)cc1C ZINC001571134822 952596491 /nfs/dbraw/zinc/59/64/91/952596491.db2.gz NMBFVNHSYJEFLN-OAHLLOKOSA-N -1 1 378.440 1.672 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)cc1C ZINC001571134822 952596496 /nfs/dbraw/zinc/59/64/96/952596496.db2.gz NMBFVNHSYJEFLN-OAHLLOKOSA-N -1 1 378.440 1.672 20 0 GDADMM CCCc1ccccc1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571134971 952597691 /nfs/dbraw/zinc/59/76/91/952597691.db2.gz ODVRKXRBGLKJRI-CQSZACIVSA-N -1 1 378.440 1.618 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)c(C)c1 ZINC001571135166 952600631 /nfs/dbraw/zinc/60/06/31/952600631.db2.gz SJMNDYRPDZZRCD-AWEZNQCLSA-N -1 1 378.440 1.848 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)c(C)c1 ZINC001571135166 952600637 /nfs/dbraw/zinc/60/06/37/952600637.db2.gz SJMNDYRPDZZRCD-AWEZNQCLSA-N -1 1 378.440 1.848 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001571135343 952602321 /nfs/dbraw/zinc/60/23/21/952602321.db2.gz UKZXZKCZBSLDOF-UKRRQHHQSA-N -1 1 378.440 1.285 20 0 GDADMM Cc1ccc(CC(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001571135323 952602558 /nfs/dbraw/zinc/60/25/58/952602558.db2.gz VQSYTRBWMAQPDI-HNNXBMFYSA-N -1 1 378.440 1.293 20 0 GDADMM Cc1ccc(CC(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571135323 952602562 /nfs/dbraw/zinc/60/25/62/952602562.db2.gz VQSYTRBWMAQPDI-HNNXBMFYSA-N -1 1 378.440 1.293 20 0 GDADMM Cc1ccc(C(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C[C@H]2C)c(C)c1 ZINC001571135347 952602908 /nfs/dbraw/zinc/60/29/08/952602908.db2.gz VZVYJFZNIGOSPT-ZIAGYGMSSA-N -1 1 378.440 1.989 20 0 GDADMM Cc1ccc(C(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C[C@H]2C)c(C)c1 ZINC001571135347 952602911 /nfs/dbraw/zinc/60/29/11/952602911.db2.gz VZVYJFZNIGOSPT-ZIAGYGMSSA-N -1 1 378.440 1.989 20 0 GDADMM O=C(Cc1ccc[nH]1)N[C@H]1C[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571141095 952630752 /nfs/dbraw/zinc/63/07/52/952630752.db2.gz GRTFBNYZCISTKO-KYZUINATSA-N -1 1 378.849 1.607 20 0 GDADMM O=C(Cc1ccc[nH]1)N[C@H]1C[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571141095 952630754 /nfs/dbraw/zinc/63/07/54/952630754.db2.gz GRTFBNYZCISTKO-KYZUINATSA-N -1 1 378.849 1.607 20 0 GDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1CCOC[C@H]1C[C@H]1CCOC1 ZINC001571141535 952633807 /nfs/dbraw/zinc/63/38/07/952633807.db2.gz HZGWKIYYARGESX-VXGBXAGGSA-N -1 1 378.458 1.265 20 0 GDADMM Cc1cc(F)cc(-c2nn[n-]n2)c1S(=O)(=O)NCCc1ccccc1F ZINC001571141702 952635857 /nfs/dbraw/zinc/63/58/57/952635857.db2.gz ZMGYJRFQRIMYFK-UHFFFAOYSA-N -1 1 379.392 1.974 20 0 GDADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H]1CCCN(C(=O)c2ccccn2)C1 ZINC001571147733 952663793 /nfs/dbraw/zinc/66/37/93/952663793.db2.gz PFJKRTDKXQRJFJ-OLZOCXBDSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H]1CCCN(C(=O)c2ccccn2)C1 ZINC001571147733 952663798 /nfs/dbraw/zinc/66/37/98/952663798.db2.gz PFJKRTDKXQRJFJ-OLZOCXBDSA-N -1 1 379.428 1.405 20 0 GDADMM CCc1cccc(C(=O)N[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571147956 952664229 /nfs/dbraw/zinc/66/42/29/952664229.db2.gz SAGGZEUGJPBRMH-ZDUSSCGKSA-N -1 1 379.428 1.013 20 0 GDADMM CCc1cccc(C(=O)N[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571147956 952664231 /nfs/dbraw/zinc/66/42/31/952664231.db2.gz SAGGZEUGJPBRMH-ZDUSSCGKSA-N -1 1 379.428 1.013 20 0 GDADMM O=C(c1cccnc1)N1CCC[C@@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571151693 952677575 /nfs/dbraw/zinc/67/75/75/952677575.db2.gz UUDPMMXZBQQYRN-ZDUSSCGKSA-N -1 1 379.428 1.406 20 0 GDADMM O=C(c1cccnc1)N1CCC[C@@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571151693 952677580 /nfs/dbraw/zinc/67/75/80/952677580.db2.gz UUDPMMXZBQQYRN-ZDUSSCGKSA-N -1 1 379.428 1.406 20 0 GDADMM O=C(N[C@@H]1CCCN(c2snc(Cl)c2-c2nnn[n-]2)C1)[C@@H]1CC12CC2 ZINC001571151944 952680268 /nfs/dbraw/zinc/68/02/68/952680268.db2.gz AEMBEIZBRLYKKA-BDAKNGLRSA-N -1 1 379.877 1.862 20 0 GDADMM O=C(N[C@@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)C1)[C@@H]1CC12CC2 ZINC001571151944 952680270 /nfs/dbraw/zinc/68/02/70/952680270.db2.gz AEMBEIZBRLYKKA-BDAKNGLRSA-N -1 1 379.877 1.862 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CCN(c3nc(Cl)c(-c4nnn[n-]4)s3)C2)o1 ZINC001571152189 952681248 /nfs/dbraw/zinc/68/12/48/952681248.db2.gz CZFIHCLDCWXRHZ-MRVPVSSYSA-N -1 1 379.833 1.887 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CCN(c3nc(Cl)c(-c4nn[n-]n4)s3)C2)o1 ZINC001571152189 952681256 /nfs/dbraw/zinc/68/12/56/952681256.db2.gz CZFIHCLDCWXRHZ-MRVPVSSYSA-N -1 1 379.833 1.887 20 0 GDADMM Cn1nccc1C(=O)N[C@H]1C[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571153653 952687073 /nfs/dbraw/zinc/68/70/73/952687073.db2.gz STHPSXMIDFQGCH-KNVOCYPGSA-N -1 1 379.837 1.083 20 0 GDADMM Cn1nccc1C(=O)N[C@H]1C[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571153653 952687074 /nfs/dbraw/zinc/68/70/74/952687074.db2.gz STHPSXMIDFQGCH-KNVOCYPGSA-N -1 1 379.837 1.083 20 0 GDADMM O=C([C@H]1CC12CC2)N1CCCN(c2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001571154177 952689413 /nfs/dbraw/zinc/68/94/13/952689413.db2.gz ZBDUTFPAZOHWJJ-SECBINFHSA-N -1 1 379.877 1.815 20 0 GDADMM CN(C(=O)c1ccccc1O)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571155577 952698898 /nfs/dbraw/zinc/69/88/98/952698898.db2.gz XFVICNOJYDFDMO-UHFFFAOYSA-N -1 1 380.412 1.103 20 0 GDADMM CN(C(=O)c1ccccc1O)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571155577 952698899 /nfs/dbraw/zinc/69/88/99/952698899.db2.gz XFVICNOJYDFDMO-UHFFFAOYSA-N -1 1 380.412 1.103 20 0 GDADMM Cc1cc(C)nc(C(=O)N2CC[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571156017 952701582 /nfs/dbraw/zinc/70/15/82/952701582.db2.gz AVPIKANOMJAULE-ZDUSSCGKSA-N -1 1 379.428 1.243 20 0 GDADMM Cc1cc(C)nc(C(=O)N2CC[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571156017 952701587 /nfs/dbraw/zinc/70/15/87/952701587.db2.gz AVPIKANOMJAULE-ZDUSSCGKSA-N -1 1 379.428 1.243 20 0 GDADMM Cc1cccnc1C(=O)N1CCC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571156672 952703461 /nfs/dbraw/zinc/70/34/61/952703461.db2.gz GRXOWWPSDYSJCD-ZDUSSCGKSA-N -1 1 379.428 1.101 20 0 GDADMM Cc1cnc(C(=O)N2CC[C@@H](N(C)c3cnc(-c4nnn[n-]4)cn3)C2)c(C)c1 ZINC001571156833 952705784 /nfs/dbraw/zinc/70/57/84/952705784.db2.gz KXNUFWSJJRDCIW-CYBMUJFWSA-N -1 1 379.428 1.019 20 0 GDADMM Cc1cnc(C(=O)N2CC[C@@H](N(C)c3cnc(-c4nn[n-]n4)cn3)C2)c(C)c1 ZINC001571156833 952705790 /nfs/dbraw/zinc/70/57/90/952705790.db2.gz KXNUFWSJJRDCIW-CYBMUJFWSA-N -1 1 379.428 1.019 20 0 GDADMM Cc1cnc(C(=O)NC2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)cc1C ZINC001571158048 952708981 /nfs/dbraw/zinc/70/89/81/952708981.db2.gz QFFUDCRFIIIPKR-UHFFFAOYSA-N -1 1 379.428 1.067 20 0 GDADMM Cc1cnc(C(=O)NC2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)cc1C ZINC001571158048 952708984 /nfs/dbraw/zinc/70/89/84/952708984.db2.gz QFFUDCRFIIIPKR-UHFFFAOYSA-N -1 1 379.428 1.067 20 0 GDADMM Cc1cnc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@H]2C)cc1C ZINC001571158882 952714440 /nfs/dbraw/zinc/71/44/40/952714440.db2.gz SYQZYJLDTPMNKM-CHWSQXEVSA-N -1 1 379.428 1.384 20 0 GDADMM Cc1cnc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@H]2C)cc1C ZINC001571158882 952714445 /nfs/dbraw/zinc/71/44/45/952714445.db2.gz SYQZYJLDTPMNKM-CHWSQXEVSA-N -1 1 379.428 1.384 20 0 GDADMM Cc1ccc(-c2nn[nH]n2)c(N2CC[C@H](NC(=O)c3ncccc3[O-])[C@H]2C)n1 ZINC001571159090 952717357 /nfs/dbraw/zinc/71/73/57/952717357.db2.gz QITJUQWVECOBKG-YPMHNXCESA-N -1 1 380.412 1.068 20 0 GDADMM COc1ccccc1C(=O)N1CC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001571159739 952721570 /nfs/dbraw/zinc/72/15/70/952721570.db2.gz ZOZUEBAPPKVLFM-GFCCVEGCSA-N -1 1 380.412 1.016 20 0 GDADMM COc1ccccc1C(=O)N1CC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001571159739 952721574 /nfs/dbraw/zinc/72/15/74/952721574.db2.gz ZOZUEBAPPKVLFM-GFCCVEGCSA-N -1 1 380.412 1.016 20 0 GDADMM Cc1ccoc1C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2 ZINC001571161186 952730583 /nfs/dbraw/zinc/73/05/83/952730583.db2.gz QIHXNHMXEBKGCA-STQMWFEESA-N -1 1 380.412 1.711 20 0 GDADMM Cc1ccoc1C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2 ZINC001571161186 952730586 /nfs/dbraw/zinc/73/05/86/952730586.db2.gz QIHXNHMXEBKGCA-STQMWFEESA-N -1 1 380.412 1.711 20 0 GDADMM Cc1cocc1C(=O)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571161457 952733469 /nfs/dbraw/zinc/73/34/69/952733469.db2.gz WELDLBWXHFBDKL-LSDHHAIUSA-N -1 1 380.412 1.442 20 0 GDADMM Cc1cocc1C(=O)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571161457 952733473 /nfs/dbraw/zinc/73/34/73/952733473.db2.gz WELDLBWXHFBDKL-LSDHHAIUSA-N -1 1 380.412 1.442 20 0 GDADMM COC(=O)[C@@H](C)[C@H](NC(=O)Nc1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001571170804 952788005 /nfs/dbraw/zinc/78/80/05/952788005.db2.gz LQCPWKUDBZVHMN-NHYWBVRUSA-N -1 1 381.396 1.934 20 0 GDADMM COC(=O)[C@@H](C)[C@H](NC(=O)Nc1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001571170804 952788008 /nfs/dbraw/zinc/78/80/08/952788008.db2.gz LQCPWKUDBZVHMN-NHYWBVRUSA-N -1 1 381.396 1.934 20 0 GDADMM O=C([C@@H]1CC12CCC2)N1CC[C@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571171551 952793822 /nfs/dbraw/zinc/79/38/22/952793822.db2.gz BTDJNWCYBNNAHC-UGSOOPFHSA-N -1 1 380.456 1.276 20 0 GDADMM COc1ccc(C(=O)N(C)C)cc1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001571171664 952795747 /nfs/dbraw/zinc/79/57/47/952795747.db2.gz VONHHBSPTLAEMY-UHFFFAOYSA-N -1 1 381.396 1.153 20 0 GDADMM COc1ccc(C(=O)N(C)C)cc1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001571171664 952795753 /nfs/dbraw/zinc/79/57/53/952795753.db2.gz VONHHBSPTLAEMY-UHFFFAOYSA-N -1 1 381.396 1.153 20 0 GDADMM O=C(c1ccon1)N1CCC[C@@H]1CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001571172047 952801817 /nfs/dbraw/zinc/80/18/17/952801817.db2.gz LEDSRTFOVDBKII-SSDOTTSWSA-N -1 1 380.821 1.681 20 0 GDADMM O=C(C1CC2(CC2)C1)N1CC[C@@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571172317 952805540 /nfs/dbraw/zinc/80/55/40/952805540.db2.gz SMZPHYJOIHGJEB-LJQANCHMSA-N -1 1 380.456 1.276 20 0 GDADMM O=C(C1CC2(CC2)C1)N1CC[C@@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571172317 952805545 /nfs/dbraw/zinc/80/55/45/952805545.db2.gz SMZPHYJOIHGJEB-LJQANCHMSA-N -1 1 380.456 1.276 20 0 GDADMM O=C(C1CC2(CC2)C1)N1CCC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571172395 952806652 /nfs/dbraw/zinc/80/66/52/952806652.db2.gz UUPCXJYTUFLBFA-GXTWGEPZSA-N -1 1 380.456 1.274 20 0 GDADMM O=C(NC1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1)c1ccon1 ZINC001571172516 952807375 /nfs/dbraw/zinc/80/73/75/952807375.db2.gz VZHPRSGIKAYITM-UHFFFAOYSA-N -1 1 380.821 1.363 20 0 GDADMM O=C(NC1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1)c1ccon1 ZINC001571172516 952807379 /nfs/dbraw/zinc/80/73/79/952807379.db2.gz VZHPRSGIKAYITM-UHFFFAOYSA-N -1 1 380.821 1.363 20 0 GDADMM O=C(C[C@@H]1C[C@H]1C1CC1)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571172840 952810309 /nfs/dbraw/zinc/81/03/09/952810309.db2.gz YXTWXAJKXMFTGT-XQLPTFJDSA-N -1 1 380.456 1.273 20 0 GDADMM CS(=O)(=O)c1ccc(F)c(CNC(=O)c2csc(-c3nn[n-]n3)c2)c1 ZINC001571178158 952836597 /nfs/dbraw/zinc/83/65/97/952836597.db2.gz ABFMAYKBTYWWFY-UHFFFAOYSA-N -1 1 381.414 1.401 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@H]2[C@H](c3ccccc3)C2(C)C)n(C)c1=O ZINC001571181423 952864335 /nfs/dbraw/zinc/86/43/35/952864335.db2.gz WMDQERNCJDLZBT-JSGCOSHPSA-N -1 1 381.440 1.116 20 0 GDADMM CCCc1[nH]ccc1C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571183991 952885530 /nfs/dbraw/zinc/88/55/30/952885530.db2.gz OFTSBDPSJSEQKO-LBPRGKRZSA-N -1 1 381.444 1.336 20 0 GDADMM CCCc1[nH]ccc1C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571183991 952885534 /nfs/dbraw/zinc/88/55/34/952885534.db2.gz OFTSBDPSJSEQKO-LBPRGKRZSA-N -1 1 381.444 1.336 20 0 GDADMM C[C@@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCn1cccc1 ZINC001571184204 952889651 /nfs/dbraw/zinc/88/96/51/952889651.db2.gz SYRHOPMJRSPZRI-KGLIPLIRSA-N -1 1 381.444 1.340 20 0 GDADMM C[C@@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCn1cccc1 ZINC001571184204 952889654 /nfs/dbraw/zinc/88/96/54/952889654.db2.gz SYRHOPMJRSPZRI-KGLIPLIRSA-N -1 1 381.444 1.340 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@@H]1CCCCN1C(=O)Cc1ccc[nH]1 ZINC001571184428 952893640 /nfs/dbraw/zinc/89/36/40/952893640.db2.gz ZAGIDHHOZPBFGJ-OCCSQVGLSA-N -1 1 381.444 1.409 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@@H]1CCCCN1C(=O)Cc1ccc[nH]1 ZINC001571184428 952893646 /nfs/dbraw/zinc/89/36/46/952893646.db2.gz ZAGIDHHOZPBFGJ-OCCSQVGLSA-N -1 1 381.444 1.409 20 0 GDADMM Cc1ccc(C(=O)N[C@@]2(C)CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)n1C ZINC001571184623 952895043 /nfs/dbraw/zinc/89/50/43/952895043.db2.gz BPHKKUDXULGKIT-SFHVURJKSA-N -1 1 381.444 1.011 20 0 GDADMM Cc1ccc(C(=O)N[C@@]2(C)CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)n1C ZINC001571184623 952895048 /nfs/dbraw/zinc/89/50/48/952895048.db2.gz BPHKKUDXULGKIT-SFHVURJKSA-N -1 1 381.444 1.011 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)c3cccn3C)[C@H](C)C2)n1 ZINC001571184663 952896284 /nfs/dbraw/zinc/89/62/84/952896284.db2.gz CPGCIXFKGKBGMR-OLZOCXBDSA-N -1 1 381.444 1.409 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)c3cccn3C)[C@H](C)C2)n1 ZINC001571184663 952896288 /nfs/dbraw/zinc/89/62/88/952896288.db2.gz CPGCIXFKGKBGMR-OLZOCXBDSA-N -1 1 381.444 1.409 20 0 GDADMM Cc1c(C(=O)N2CC[C@@H](CNc3nc(C)cc(-c4nnn[n-]4)n3)C2)ccn1C ZINC001571185437 952902092 /nfs/dbraw/zinc/90/20/92/952902092.db2.gz LIQGENZCOKTAJJ-ZDUSSCGKSA-N -1 1 381.444 1.186 20 0 GDADMM Cc1c(C(=O)N2CC[C@@H](CNc3nc(C)cc(-c4nn[n-]n4)n3)C2)ccn1C ZINC001571185437 952902096 /nfs/dbraw/zinc/90/20/96/952902096.db2.gz LIQGENZCOKTAJJ-ZDUSSCGKSA-N -1 1 381.444 1.186 20 0 GDADMM Cc1c(C(=O)N2C[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)[C@H](C)C2)ccn1C ZINC001571186321 952906339 /nfs/dbraw/zinc/90/63/39/952906339.db2.gz WNADIQIMVGSUGY-DGCLKSJQSA-N -1 1 381.444 1.124 20 0 GDADMM Cc1c(C(=O)N2C[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)[C@H](C)C2)ccn1C ZINC001571186321 952906346 /nfs/dbraw/zinc/90/63/46/952906346.db2.gz WNADIQIMVGSUGY-DGCLKSJQSA-N -1 1 381.444 1.124 20 0 GDADMM Cc1ccn(C)c1C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)[C@H]1C ZINC001571188328 952913896 /nfs/dbraw/zinc/91/38/96/952913896.db2.gz IOFBSLCRMMSQBK-QWHCGFSZSA-N -1 1 381.444 1.091 20 0 GDADMM Cc1ccn(C)c1C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)[C@H]1C ZINC001571188328 952913899 /nfs/dbraw/zinc/91/38/99/952913899.db2.gz IOFBSLCRMMSQBK-QWHCGFSZSA-N -1 1 381.444 1.091 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)[C@@H](C)C2)n1C ZINC001571189376 952929794 /nfs/dbraw/zinc/92/97/94/952929794.db2.gz VUWJMWRPXAFTRW-QWHCGFSZSA-N -1 1 381.444 1.091 20 0 GDADMM O=C(N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)C1(C(F)(F)F)CCC1 ZINC001571194902 952970878 /nfs/dbraw/zinc/97/08/78/952970878.db2.gz VXJOLDFNZGTFQW-SECBINFHSA-N -1 1 382.350 1.402 20 0 GDADMM O=C(N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)C1(C(F)(F)F)CCC1 ZINC001571194902 952970885 /nfs/dbraw/zinc/97/08/85/952970885.db2.gz VXJOLDFNZGTFQW-SECBINFHSA-N -1 1 382.350 1.402 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2ccccc2F)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571195498 952976613 /nfs/dbraw/zinc/97/66/13/952976613.db2.gz ARJTURHMVQSNHT-FZMZJTMJSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2ccccc2F)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571195498 952976617 /nfs/dbraw/zinc/97/66/17/952976617.db2.gz ARJTURHMVQSNHT-FZMZJTMJSA-N -1 1 382.403 1.583 20 0 GDADMM NC(=O)[C@@H](CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1)Cc1ccc(F)cc1 ZINC001571195702 952978211 /nfs/dbraw/zinc/97/82/11/952978211.db2.gz DVDKZXYDUUWCFA-GFCCVEGCSA-N -1 1 382.403 1.429 20 0 GDADMM NC(=O)[C@@H](CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1)Cc1ccc(F)cc1 ZINC001571195702 952978214 /nfs/dbraw/zinc/97/82/14/952978214.db2.gz DVDKZXYDUUWCFA-GFCCVEGCSA-N -1 1 382.403 1.429 20 0 GDADMM Cc1cc(F)cc(C(=O)N2CC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571195769 952978659 /nfs/dbraw/zinc/97/86/59/952978659.db2.gz FVQDZCDUCAUQPU-GFCCVEGCSA-N -1 1 382.403 1.678 20 0 GDADMM Cc1cc(F)cc(C(=O)N2CC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571195769 952978661 /nfs/dbraw/zinc/97/86/61/952978661.db2.gz FVQDZCDUCAUQPU-GFCCVEGCSA-N -1 1 382.403 1.678 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(F)cc2)CC[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571196810 952984255 /nfs/dbraw/zinc/98/42/55/952984255.db2.gz OIAQRUNOHWVWKU-RISCZKNCSA-N -1 1 382.403 1.759 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(F)cc2)CC[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571196810 952984257 /nfs/dbraw/zinc/98/42/57/952984257.db2.gz OIAQRUNOHWVWKU-RISCZKNCSA-N -1 1 382.403 1.759 20 0 GDADMM CC(C)(F)C(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571196825 952984486 /nfs/dbraw/zinc/98/44/86/952984486.db2.gz OOQMPNXKALMGBU-IUODEOHRSA-N -1 1 382.403 1.599 20 0 GDADMM CC(C)(F)C(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571196825 952984494 /nfs/dbraw/zinc/98/44/94/952984494.db2.gz OOQMPNXKALMGBU-IUODEOHRSA-N -1 1 382.403 1.599 20 0 GDADMM Cc1ccc(F)cc1C(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571197098 952986292 /nfs/dbraw/zinc/98/62/92/952986292.db2.gz RVWIEAGNSWGOKC-IAQYHMDHSA-N -1 1 382.403 1.677 20 0 GDADMM Cc1ccc(F)cc1C(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571197098 952986298 /nfs/dbraw/zinc/98/62/98/952986298.db2.gz RVWIEAGNSWGOKC-IAQYHMDHSA-N -1 1 382.403 1.677 20 0 GDADMM Cc1cc(C(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C[C@@H]2C)ccc1F ZINC001571197400 952989309 /nfs/dbraw/zinc/98/93/09/952989309.db2.gz ZDEDPITVKNSECI-WCQYABFASA-N -1 1 382.403 1.819 20 0 GDADMM Cc1cc(C(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C[C@@H]2C)ccc1F ZINC001571197400 952989313 /nfs/dbraw/zinc/98/93/13/952989313.db2.gz ZDEDPITVKNSECI-WCQYABFASA-N -1 1 382.403 1.819 20 0 GDADMM CN(C[C@H]1CCCN(C(=O)Cc2ccoc2)C1)c1nccnc1-c1nnn[n-]1 ZINC001571198850 952993542 /nfs/dbraw/zinc/99/35/42/952993542.db2.gz HKLYLPIMRXMZHR-CQSZACIVSA-N -1 1 382.428 1.167 20 0 GDADMM CN(C[C@H]1CCCN(C(=O)Cc2ccoc2)C1)c1nccnc1-c1nn[n-]n1 ZINC001571198850 952993546 /nfs/dbraw/zinc/99/35/46/952993546.db2.gz HKLYLPIMRXMZHR-CQSZACIVSA-N -1 1 382.428 1.167 20 0 GDADMM C[C@@H]1CN(C(=O)Cc2ccco2)C[C@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001571198795 952994104 /nfs/dbraw/zinc/99/41/04/952994104.db2.gz GUNXIUCNOWSOEV-CHWSQXEVSA-N -1 1 382.428 1.389 20 0 GDADMM C[C@@H]1CN(C(=O)Cc2ccco2)C[C@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001571198795 952994109 /nfs/dbraw/zinc/99/41/09/952994109.db2.gz GUNXIUCNOWSOEV-CHWSQXEVSA-N -1 1 382.428 1.389 20 0 GDADMM CCc1occc1C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@H](C)C1 ZINC001571198954 952994749 /nfs/dbraw/zinc/99/47/49/952994749.db2.gz IORLHPNQNUMUQV-VXGBXAGGSA-N -1 1 382.428 1.599 20 0 GDADMM CCc1occc1C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@H](C)C1 ZINC001571198954 952994755 /nfs/dbraw/zinc/99/47/55/952994755.db2.gz IORLHPNQNUMUQV-VXGBXAGGSA-N -1 1 382.428 1.599 20 0 GDADMM Cc1cc(C(=O)N2C[C@@H](CNc3cncc(-c4nnn[n-]4)n3)[C@H](C)C2)c(C)o1 ZINC001571200780 953011847 /nfs/dbraw/zinc/01/18/47/953011847.db2.gz GAHDJIANNDPUSU-ZWNOBZJWSA-N -1 1 382.428 1.687 20 0 GDADMM Cc1cc(C(=O)N2C[C@@H](CNc3cncc(-c4nn[n-]n4)n3)[C@H](C)C2)c(C)o1 ZINC001571200780 953011848 /nfs/dbraw/zinc/01/18/48/953011848.db2.gz GAHDJIANNDPUSU-ZWNOBZJWSA-N -1 1 382.428 1.687 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)[C@@H](C)C2)o1 ZINC001571200868 953012683 /nfs/dbraw/zinc/01/26/83/953012683.db2.gz HCQSRCSBIJQKJN-FZMZJTMJSA-N -1 1 382.428 1.450 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)[C@@H](C)C2)o1 ZINC001571200868 953012686 /nfs/dbraw/zinc/01/26/86/953012686.db2.gz HCQSRCSBIJQKJN-FZMZJTMJSA-N -1 1 382.428 1.450 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)Cc3ccco3)[C@@H](C)C2)n1 ZINC001571201738 953019574 /nfs/dbraw/zinc/01/95/74/953019574.db2.gz NSSIBEYAIFPWQJ-STQMWFEESA-N -1 1 382.428 1.592 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)Cc3ccco3)[C@@H](C)C2)n1 ZINC001571201738 953019576 /nfs/dbraw/zinc/01/95/76/953019576.db2.gz NSSIBEYAIFPWQJ-STQMWFEESA-N -1 1 382.428 1.592 20 0 GDADMM Cc1ccoc1CC(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)[C@H](C)C1 ZINC001571201864 953020946 /nfs/dbraw/zinc/02/09/46/953020946.db2.gz OXBRTSZFJMYEKR-CHWSQXEVSA-N -1 1 382.428 1.450 20 0 GDADMM Cc1ccoc1CC(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)[C@H](C)C1 ZINC001571201864 953020950 /nfs/dbraw/zinc/02/09/50/953020950.db2.gz OXBRTSZFJMYEKR-CHWSQXEVSA-N -1 1 382.428 1.450 20 0 GDADMM Cc1ccoc1CC(=O)N[C@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571201948 953021925 /nfs/dbraw/zinc/02/19/25/953021925.db2.gz POEWZKUGIKAHKF-OLZOCXBDSA-N -1 1 382.428 1.640 20 0 GDADMM Cc1ccoc1CC(=O)N[C@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571201948 953021929 /nfs/dbraw/zinc/02/19/29/953021929.db2.gz POEWZKUGIKAHKF-OLZOCXBDSA-N -1 1 382.428 1.640 20 0 GDADMM Cc1ccoc1C(=O)N1CCC[C@H](CN(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571202149 953023532 /nfs/dbraw/zinc/02/35/32/953023532.db2.gz REIFZNSBJCTGGG-CYBMUJFWSA-N -1 1 382.428 1.547 20 0 GDADMM Cc1ccoc1C(=O)N1CCC[C@H](CN(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571202149 953023539 /nfs/dbraw/zinc/02/35/39/953023539.db2.gz REIFZNSBJCTGGG-CYBMUJFWSA-N -1 1 382.428 1.547 20 0 GDADMM Cc1coc(C)c1C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H]1C ZINC001571202390 953024481 /nfs/dbraw/zinc/02/44/81/953024481.db2.gz UHELEKZVBCVOHB-DGCLKSJQSA-N -1 1 382.428 1.654 20 0 GDADMM Cc1coc(C)c1C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H]1C ZINC001571202390 953024486 /nfs/dbraw/zinc/02/44/86/953024486.db2.gz UHELEKZVBCVOHB-DGCLKSJQSA-N -1 1 382.428 1.654 20 0 GDADMM Cc1cc(C(=O)N[C@H](C)[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)co1 ZINC001571202562 953026342 /nfs/dbraw/zinc/02/63/42/953026342.db2.gz VCZYLMZSAQHEEQ-CHWSQXEVSA-N -1 1 382.428 1.593 20 0 GDADMM Cc1cc(C(=O)N[C@H](C)[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)co1 ZINC001571202562 953026346 /nfs/dbraw/zinc/02/63/46/953026346.db2.gz VCZYLMZSAQHEEQ-CHWSQXEVSA-N -1 1 382.428 1.593 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@@H](NC(=O)c3cnn(C(C)C)c3)C2)n1 ZINC001571205774 953042908 /nfs/dbraw/zinc/04/29/08/953042908.db2.gz AQXDKHBMEBWQTH-BETUJISGSA-N -1 1 382.432 1.115 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@@H](NC(=O)c3cnn(C(C)C)c3)C2)n1 ZINC001571205774 953042911 /nfs/dbraw/zinc/04/29/11/953042911.db2.gz AQXDKHBMEBWQTH-BETUJISGSA-N -1 1 382.432 1.115 20 0 GDADMM CC(C)n1ccc(C(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)[C@@H]2C)n1 ZINC001571205897 953043230 /nfs/dbraw/zinc/04/32/30/953043230.db2.gz NUTYKVOKHPAREH-RYUDHWBXSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1ccc(C(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)[C@@H]2C)n1 ZINC001571205897 953043235 /nfs/dbraw/zinc/04/32/35/953043235.db2.gz NUTYKVOKHPAREH-RYUDHWBXSA-N -1 1 382.432 1.149 20 0 GDADMM Cc1oc(C)c(C(=O)N[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)c1C ZINC001571207164 953060067 /nfs/dbraw/zinc/06/00/67/953060067.db2.gz WNQPIRVWFQQTFN-ZDUSSCGKSA-N -1 1 382.428 1.574 20 0 GDADMM Cc1oc(C)c(C(=O)N[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)c1C ZINC001571207164 953060070 /nfs/dbraw/zinc/06/00/70/953060070.db2.gz WNQPIRVWFQQTFN-ZDUSSCGKSA-N -1 1 382.428 1.574 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1C1CCC1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571211531 953077364 /nfs/dbraw/zinc/07/73/64/953077364.db2.gz ARMLHVDWZVKANP-QLFBSQMISA-N -1 1 382.472 1.520 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1C1CCC1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571211531 953077372 /nfs/dbraw/zinc/07/73/72/953077372.db2.gz ARMLHVDWZVKANP-QLFBSQMISA-N -1 1 382.472 1.520 20 0 GDADMM C[C@]1(CNc2ccc(-c3nnn[n-]3)nn2)CCN(C(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001571212272 953086296 /nfs/dbraw/zinc/08/62/96/953086296.db2.gz KKHLXHRRVQNTPQ-BKTGTZMESA-N -1 1 382.472 1.888 20 0 GDADMM C[C@]1(CNc2ccc(-c3nn[n-]n3)nn2)CCN(C(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001571212272 953086300 /nfs/dbraw/zinc/08/63/00/953086300.db2.gz KKHLXHRRVQNTPQ-BKTGTZMESA-N -1 1 382.472 1.888 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H]3CN(C(=O)CCC4CC4)CC[C@H]32)n1 ZINC001571212294 953087005 /nfs/dbraw/zinc/08/70/05/953087005.db2.gz KZCCLMFQGWYSAZ-GOEBONIOSA-N -1 1 382.472 1.583 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H]3CN(C(=O)CCC4CC4)CC[C@H]32)n1 ZINC001571212294 953087009 /nfs/dbraw/zinc/08/70/09/953087009.db2.gz KZCCLMFQGWYSAZ-GOEBONIOSA-N -1 1 382.472 1.583 20 0 GDADMM C[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001571212436 953087918 /nfs/dbraw/zinc/08/79/18/953087918.db2.gz LQIOUKTWNDUROF-WZYWGQKZSA-N -1 1 382.472 1.424 20 0 GDADMM C[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001571212436 953087921 /nfs/dbraw/zinc/08/79/21/953087921.db2.gz LQIOUKTWNDUROF-WZYWGQKZSA-N -1 1 382.472 1.424 20 0 GDADMM CC1(C)CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571212574 953089540 /nfs/dbraw/zinc/08/95/40/953089540.db2.gz NFOFDTWVGLHLKW-MXYBEHONSA-N -1 1 382.472 1.709 20 0 GDADMM CC1(C)CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571212574 953089544 /nfs/dbraw/zinc/08/95/44/953089544.db2.gz NFOFDTWVGLHLKW-MXYBEHONSA-N -1 1 382.472 1.709 20 0 GDADMM CN(C(=O)[C@@H]1CC2CCC1CC2)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571212596 953089614 /nfs/dbraw/zinc/08/96/14/953089614.db2.gz NKRIKEXQWQHBSH-NEXFUWMNSA-N -1 1 382.472 1.520 20 0 GDADMM CN(C(=O)[C@@H]1CC2CCC1CC2)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571212596 953089617 /nfs/dbraw/zinc/08/96/17/953089617.db2.gz NKRIKEXQWQHBSH-NEXFUWMNSA-N -1 1 382.472 1.520 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571212861 953091425 /nfs/dbraw/zinc/09/14/25/953091425.db2.gz NQDCKANTOKQDEJ-POQQGIQPSA-N -1 1 382.472 1.565 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCN(C(=O)[C@@H]3CCC[C@H]4C[C@H]43)CC2)n1 ZINC001571212991 953092145 /nfs/dbraw/zinc/09/21/45/953092145.db2.gz PGDQEBGKWZSYKS-BFHYXJOUSA-N -1 1 382.472 1.304 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCN(C(=O)[C@@H]3CCC[C@H]4C[C@H]43)CC2)n1 ZINC001571212991 953092147 /nfs/dbraw/zinc/09/21/47/953092147.db2.gz PGDQEBGKWZSYKS-BFHYXJOUSA-N -1 1 382.472 1.304 20 0 GDADMM Cc1nc(C)c(C(=O)N[C@H]2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)[nH]1 ZINC001571213078 953092306 /nfs/dbraw/zinc/09/23/06/953092306.db2.gz QLGFNKZVGFEUMI-RYUDHWBXSA-N -1 1 382.432 1.150 20 0 GDADMM Cc1nc(C)c(C(=O)N[C@H]2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)[nH]1 ZINC001571213078 953092308 /nfs/dbraw/zinc/09/23/08/953092308.db2.gz QLGFNKZVGFEUMI-RYUDHWBXSA-N -1 1 382.432 1.150 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1)C1CC1 ZINC001571213225 953093193 /nfs/dbraw/zinc/09/31/93/953093193.db2.gz PVJQPGBVTOJLTD-ORAYPTAESA-N -1 1 382.472 1.522 20 0 GDADMM CC1(CC(=O)N2CC[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)CCCC1 ZINC001571213565 953096610 /nfs/dbraw/zinc/09/66/10/953096610.db2.gz RSRLFZLOLYJNOW-DZGCQCFKSA-N -1 1 382.472 1.664 20 0 GDADMM CC1(CC(=O)N2CC[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)CCCC1 ZINC001571213565 953096614 /nfs/dbraw/zinc/09/66/14/953096614.db2.gz RSRLFZLOLYJNOW-DZGCQCFKSA-N -1 1 382.472 1.664 20 0 GDADMM CC1(C(=O)N[C@@H]2CC[C@@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@@H]3C2)CCC1 ZINC001571213623 953096981 /nfs/dbraw/zinc/09/69/81/953096981.db2.gz SKUDRKQZVZBHBY-HZSPNIEDSA-N -1 1 382.472 1.568 20 0 GDADMM CC1(C(=O)N[C@@H]2CC[C@@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@@H]3C2)CCC1 ZINC001571213623 953096984 /nfs/dbraw/zinc/09/69/84/953096984.db2.gz SKUDRKQZVZBHBY-HZSPNIEDSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@]1(CNc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)[C@H]2CC23CCCC3)C1 ZINC001571214035 953098158 /nfs/dbraw/zinc/09/81/58/953098158.db2.gz VNPLZVPDGBFNEF-ACJLOTCBSA-N -1 1 382.472 1.309 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCN(C(=O)[C@H]3CC34CCCC4)C2)n1 ZINC001571214085 953099186 /nfs/dbraw/zinc/09/91/86/953099186.db2.gz WLVJYILVSJIQJO-UONOGXRCSA-N -1 1 382.472 1.806 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCN(C(=O)[C@H]3CC34CCCC4)C2)n1 ZINC001571214085 953099193 /nfs/dbraw/zinc/09/91/93/953099193.db2.gz WLVJYILVSJIQJO-UONOGXRCSA-N -1 1 382.472 1.806 20 0 GDADMM CCc1nc(NC2CCC(NC(=O)[C@H]3CC34CC4)CC2)cc(-c2nnn[n-]2)n1 ZINC001571214482 953102729 /nfs/dbraw/zinc/10/27/29/953102729.db2.gz ZRTRIWSSDGMVNF-WXRRBKDZSA-N -1 1 382.472 1.859 20 0 GDADMM CCc1nc(NC2CCC(NC(=O)[C@H]3CC34CC4)CC2)cc(-c2nn[n-]n2)n1 ZINC001571214482 953102732 /nfs/dbraw/zinc/10/27/32/953102732.db2.gz ZRTRIWSSDGMVNF-WXRRBKDZSA-N -1 1 382.472 1.859 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C1CC2(CCC2)C1 ZINC001571217244 953106211 /nfs/dbraw/zinc/10/62/11/953106211.db2.gz CYRPFKRWCQGKSD-CQSZACIVSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C1CC2(CCC2)C1 ZINC001571217244 953106214 /nfs/dbraw/zinc/10/62/14/953106214.db2.gz CYRPFKRWCQGKSD-CQSZACIVSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(NC[C@H]1CCCCCN1c1nccnc1-c1nnn[n-]1)[C@@H]1CC12CCC2 ZINC001571217687 953110292 /nfs/dbraw/zinc/11/02/92/953110292.db2.gz IFCSCHYDBVMHFH-KGLIPLIRSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(NC[C@H]1CCCCCN1c1nccnc1-c1nn[n-]n1)[C@@H]1CC12CCC2 ZINC001571217687 953110293 /nfs/dbraw/zinc/11/02/93/953110293.db2.gz IFCSCHYDBVMHFH-KGLIPLIRSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(c1nccs1)N1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001571217709 953111041 /nfs/dbraw/zinc/11/10/41/953111041.db2.gz IYIRIXPODLUVKS-UHFFFAOYSA-N -1 1 382.862 1.396 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)[C@@H]1C[C@H]1C1CCCC1 ZINC001571218485 953115901 /nfs/dbraw/zinc/11/59/01/953115901.db2.gz PDGTXHAAGHLTPD-CYUUQNCZSA-N -1 1 382.472 1.790 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)[C@@H]1C[C@H]1C1CCCC1 ZINC001571218485 953115904 /nfs/dbraw/zinc/11/59/04/953115904.db2.gz PDGTXHAAGHLTPD-CYUUQNCZSA-N -1 1 382.472 1.790 20 0 GDADMM O=C(N[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CC1)[C@@H]1C[C@H]1C1CCC1 ZINC001571218865 953119903 /nfs/dbraw/zinc/11/99/03/953119903.db2.gz RZYUHWMMICPLDX-ZQDZILKHSA-N -1 1 382.472 1.932 20 0 GDADMM O=C(N[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CC1)[C@@H]1C[C@H]1C1CCC1 ZINC001571218865 953119905 /nfs/dbraw/zinc/11/99/05/953119905.db2.gz RZYUHWMMICPLDX-ZQDZILKHSA-N -1 1 382.472 1.932 20 0 GDADMM O=C([C@@H]1CCCC2(CC2)C1)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571219099 953122221 /nfs/dbraw/zinc/12/22/21/953122221.db2.gz VCOLNBRUSHIZMP-ZIAGYGMSSA-N -1 1 382.472 1.452 20 0 GDADMM O=C(N[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1)c1cscn1 ZINC001571219300 953124262 /nfs/dbraw/zinc/12/42/62/953124262.db2.gz WSSCKVXAENIHTP-ZCFIWIBFSA-N -1 1 382.862 1.442 20 0 GDADMM O=C(N[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1)c1cscn1 ZINC001571219300 953124266 /nfs/dbraw/zinc/12/42/66/953124266.db2.gz WSSCKVXAENIHTP-ZCFIWIBFSA-N -1 1 382.862 1.442 20 0 GDADMM O=C(NC1CC(CNc2nccnc2-c2nnn[n-]2)C1)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001571219294 953124434 /nfs/dbraw/zinc/12/44/34/953124434.db2.gz WPQDBCPJYTZWHX-NNVWEFMASA-N -1 1 382.472 1.790 20 0 GDADMM O=C(NC1CC(CNc2nccnc2-c2nn[n-]n2)C1)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001571219294 953124439 /nfs/dbraw/zinc/12/44/39/953124439.db2.gz WPQDBCPJYTZWHX-NNVWEFMASA-N -1 1 382.472 1.790 20 0 GDADMM COc1ncc(NC(=O)NC[C@H](O)[C@H](C)c2ccccc2)cc1-c1nn[n-]n1 ZINC001571219221 953124536 /nfs/dbraw/zinc/12/45/36/953124536.db2.gz MRTQOKMSNFKOPV-ABAIWWIYSA-N -1 1 383.412 1.556 20 0 GDADMM CC(C)c1cc(C(=O)N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)on1 ZINC001571222879 953139380 /nfs/dbraw/zinc/13/93/80/953139380.db2.gz MSFZQNSYSKTDGJ-LLVKDONJSA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1cc(C(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)on1 ZINC001571222879 953139382 /nfs/dbraw/zinc/13/93/82/953139382.db2.gz MSFZQNSYSKTDGJ-LLVKDONJSA-N -1 1 383.416 1.485 20 0 GDADMM CCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCN(C(=O)c2conc2C)CC1 ZINC001571223415 953144407 /nfs/dbraw/zinc/14/44/07/953144407.db2.gz QXQSUBKATNGHJS-UHFFFAOYSA-N -1 1 383.416 1.450 20 0 GDADMM CCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCN(C(=O)c2conc2C)CC1 ZINC001571223415 953144410 /nfs/dbraw/zinc/14/44/10/953144410.db2.gz QXQSUBKATNGHJS-UHFFFAOYSA-N -1 1 383.416 1.450 20 0 GDADMM COc1ncc(NC(=O)NCc2ccn(C3CCCC3)n2)cc1-c1nn[n-]n1 ZINC001571223872 953147622 /nfs/dbraw/zinc/14/76/22/953147622.db2.gz YUDGZUJNZYEADZ-UHFFFAOYSA-N -1 1 383.416 1.904 20 0 GDADMM Cc1noc(C)c1C(=O)N1CCC(N(C)c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571224738 953150591 /nfs/dbraw/zinc/15/05/91/953150591.db2.gz FJQBWBMJXLFRMR-UHFFFAOYSA-N -1 1 383.416 1.003 20 0 GDADMM Cc1noc(C)c1C(=O)N1CCC(N(C)c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571224738 953150593 /nfs/dbraw/zinc/15/05/93/953150593.db2.gz FJQBWBMJXLFRMR-UHFFFAOYSA-N -1 1 383.416 1.003 20 0 GDADMM Cc1nc(C(=O)N2CCC[C@@H](C)[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)co1 ZINC001571225928 953154424 /nfs/dbraw/zinc/15/44/24/953154424.db2.gz OLOLIHIVKXVSLG-YGRLFVJLSA-N -1 1 383.416 1.306 20 0 GDADMM Cc1nc(C(=O)N2CCC[C@@H](C)[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)co1 ZINC001571225928 953154427 /nfs/dbraw/zinc/15/44/27/953154427.db2.gz OLOLIHIVKXVSLG-YGRLFVJLSA-N -1 1 383.416 1.306 20 0 GDADMM Cc1nc(C)c(C(=O)N2CCCC[C@H]2CNc2nccnc2-c2nnn[n-]2)o1 ZINC001571225876 953154654 /nfs/dbraw/zinc/15/46/54/953154654.db2.gz NGTGPDNQGQLBFH-LBPRGKRZSA-N -1 1 383.416 1.368 20 0 GDADMM Cc1nc(C)c(C(=O)N2CCCC[C@H]2CNc2nccnc2-c2nn[n-]n2)o1 ZINC001571225876 953154656 /nfs/dbraw/zinc/15/46/56/953154656.db2.gz NGTGPDNQGQLBFH-LBPRGKRZSA-N -1 1 383.416 1.368 20 0 GDADMM Cc1ncoc1C(=O)NC1(C)CCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001571225975 953155501 /nfs/dbraw/zinc/15/55/01/953155501.db2.gz PNKQAQGZJQTLMW-UHFFFAOYSA-N -1 1 383.416 1.050 20 0 GDADMM Cc1ncoc1C(=O)NC1(C)CCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001571225975 953155502 /nfs/dbraw/zinc/15/55/02/953155502.db2.gz PNKQAQGZJQTLMW-UHFFFAOYSA-N -1 1 383.416 1.050 20 0 GDADMM Cc1nc(C(=O)N2C[C@@H](C)[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)c(C)o1 ZINC001571226457 953156064 /nfs/dbraw/zinc/15/60/64/953156064.db2.gz RDNNJVGVVKFJNF-AMIZOPFISA-N -1 1 383.416 1.143 20 0 GDADMM Cc1nc(C(=O)N2C[C@@H](C)[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)c(C)o1 ZINC001571226457 953156067 /nfs/dbraw/zinc/15/60/67/953156067.db2.gz RDNNJVGVVKFJNF-AMIZOPFISA-N -1 1 383.416 1.143 20 0 GDADMM O=C(N[C@]12CCC[C@H]1N(c1nccnc1-c1nnn[n-]1)CC2)c1ccsn1 ZINC001571230550 953178322 /nfs/dbraw/zinc/17/83/22/953178322.db2.gz GFFKXHUHRJPZDG-BZNIZROVSA-N -1 1 383.441 1.045 20 0 GDADMM O=C(N[C@]12CCC[C@H]1N(c1nccnc1-c1nn[n-]n1)CC2)c1ccsn1 ZINC001571230550 953178324 /nfs/dbraw/zinc/17/83/24/953178324.db2.gz GFFKXHUHRJPZDG-BZNIZROVSA-N -1 1 383.441 1.045 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC(F)(F)F)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571234579 953203672 /nfs/dbraw/zinc/20/36/72/953203672.db2.gz CHOQOPJMHCTASC-MWLCHTKSSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC(F)(F)F)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571234579 953203673 /nfs/dbraw/zinc/20/36/73/953203673.db2.gz CHOQOPJMHCTASC-MWLCHTKSSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@]1(C(=O)N2CC[C@H](Nc3snc(Cl)c3-c3nnn[n-]3)C2)CCOC1 ZINC001571234713 953204504 /nfs/dbraw/zinc/20/45/04/953204504.db2.gz GLVFZKGDVWTTAS-RMLUDKJBSA-N -1 1 383.865 1.416 20 0 GDADMM C[C@@]1(C(=O)N2CC[C@H](Nc3snc(Cl)c3-c3nn[n-]n3)C2)CCOC1 ZINC001571234713 953204506 /nfs/dbraw/zinc/20/45/06/953204506.db2.gz GLVFZKGDVWTTAS-RMLUDKJBSA-N -1 1 383.865 1.416 20 0 GDADMM CCO[C@H]1C[C@H]1C(=O)N[C@H]1C[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571234864 953205984 /nfs/dbraw/zinc/20/59/84/953205984.db2.gz LARMFIYPKDWVGI-BGZDPUMWSA-N -1 1 383.865 1.461 20 0 GDADMM CCO[C@H]1C[C@H]1C(=O)N[C@H]1C[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571234864 953205988 /nfs/dbraw/zinc/20/59/88/953205988.db2.gz LARMFIYPKDWVGI-BGZDPUMWSA-N -1 1 383.865 1.461 20 0 GDADMM C[C@@H]1CCN(C(=O)CC(F)(F)F)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571235157 953209183 /nfs/dbraw/zinc/20/91/83/953209183.db2.gz VGVNRSMKYLGLCZ-NXEZZACHSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@@H]1CCN(C(=O)CC(F)(F)F)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571235157 953209184 /nfs/dbraw/zinc/20/91/84/953209184.db2.gz VGVNRSMKYLGLCZ-NXEZZACHSA-N -1 1 384.366 1.506 20 0 GDADMM CSc1ccc(N2C[C@@H](C(=O)Nc3c[nH]nc3-c3nn[n-]n3)CC2=O)cc1 ZINC001571242046 953251858 /nfs/dbraw/zinc/25/18/58/953251858.db2.gz UPDDOMCUVIIGFP-VIFPVBQESA-N -1 1 384.425 1.303 20 0 GDADMM CCc1sc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)cc1C ZINC001571244575 953265207 /nfs/dbraw/zinc/26/52/07/953265207.db2.gz BHVYLIPBSCVBLR-NSHDSACASA-N -1 1 384.469 1.598 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cccs2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571244927 953268033 /nfs/dbraw/zinc/26/80/33/953268033.db2.gz AEHRFJRRPJIPPW-RYUDHWBXSA-N -1 1 384.469 1.493 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H](N(C)c3ccc(-c4nnn[n-]4)nn3)C2)sc1C ZINC001571245128 953270733 /nfs/dbraw/zinc/27/07/33/953270733.db2.gz OICGZNSQONGBDU-GFCCVEGCSA-N -1 1 384.469 1.686 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H](N(C)c3ccc(-c4nn[n-]n4)nn3)C2)sc1C ZINC001571245128 953270735 /nfs/dbraw/zinc/27/07/35/953270735.db2.gz OICGZNSQONGBDU-GFCCVEGCSA-N -1 1 384.469 1.686 20 0 GDADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)CCc2cccs2)C1 ZINC001571245311 953272269 /nfs/dbraw/zinc/27/22/69/953272269.db2.gz ROZDCYURMIJAIS-GFCCVEGCSA-N -1 1 384.469 1.388 20 0 GDADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)CCc2cccs2)C1 ZINC001571245311 953272273 /nfs/dbraw/zinc/27/22/73/953272273.db2.gz ROZDCYURMIJAIS-GFCCVEGCSA-N -1 1 384.469 1.388 20 0 GDADMM Cc1cscc1C(=O)N1CCC(CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571245340 953272281 /nfs/dbraw/zinc/27/22/81/953272281.db2.gz RWHVBQZOKRCCRX-UHFFFAOYSA-N -1 1 384.469 1.991 20 0 GDADMM Cc1cscc1C(=O)N1CCC(CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571245340 953272284 /nfs/dbraw/zinc/27/22/84/953272284.db2.gz RWHVBQZOKRCCRX-UHFFFAOYSA-N -1 1 384.469 1.991 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)c2cscc2C)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571245420 953273119 /nfs/dbraw/zinc/27/31/19/953273119.db2.gz SLPIGOAGMJLIRE-GXTWGEPZSA-N -1 1 384.469 1.814 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)c2cscc2C)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571245420 953273122 /nfs/dbraw/zinc/27/31/22/953273122.db2.gz SLPIGOAGMJLIRE-GXTWGEPZSA-N -1 1 384.469 1.814 20 0 GDADMM Cc1nsc(N2CC[C@@H](NC(=O)Cc3ccncc3C)C2)c1-c1nn[n-]n1 ZINC001571245627 953275084 /nfs/dbraw/zinc/27/50/84/953275084.db2.gz XKUVPJNCDZHXHG-CYBMUJFWSA-N -1 1 384.469 1.273 20 0 GDADMM CCN(C(=O)c1ccsc1C)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571245726 953276102 /nfs/dbraw/zinc/27/61/02/953276102.db2.gz YMVRJMPQPLSNGI-LBPRGKRZSA-N -1 1 384.469 1.768 20 0 GDADMM CCc1ccsc1C(=O)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571245837 953277959 /nfs/dbraw/zinc/27/79/59/953277959.db2.gz ZZMCHBDWJSLSCW-LBPRGKRZSA-N -1 1 384.469 1.997 20 0 GDADMM CCc1ccsc1C(=O)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571245837 953277962 /nfs/dbraw/zinc/27/79/62/953277962.db2.gz ZZMCHBDWJSLSCW-LBPRGKRZSA-N -1 1 384.469 1.997 20 0 GDADMM C[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CN1C(=O)CCc1ccsc1 ZINC001571246239 953281628 /nfs/dbraw/zinc/28/16/28/953281628.db2.gz WUASDMFPJDWMPP-YPMHNXCESA-N -1 1 384.469 1.752 20 0 GDADMM C[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CN1C(=O)CCc1ccsc1 ZINC001571246239 953281631 /nfs/dbraw/zinc/28/16/31/953281631.db2.gz WUASDMFPJDWMPP-YPMHNXCESA-N -1 1 384.469 1.752 20 0 GDADMM O=C(Cc1cccs1)N1CCCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571248216 953290734 /nfs/dbraw/zinc/29/07/34/953290734.db2.gz NPBOFTYCENSMMB-GFCCVEGCSA-N -1 1 384.469 1.754 20 0 GDADMM O=C(Cc1cccs1)N1CCCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571248216 953290737 /nfs/dbraw/zinc/29/07/37/953290737.db2.gz NPBOFTYCENSMMB-GFCCVEGCSA-N -1 1 384.469 1.754 20 0 GDADMM Cc1scc(C(=O)NC[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1C ZINC001571248604 953295058 /nfs/dbraw/zinc/29/50/58/953295058.db2.gz WHNHOGUSAAOPDF-LBPRGKRZSA-N -1 1 384.469 1.591 20 0 GDADMM CC[C@@H](C)C(=O)N1CCC2(C1)CCN(c1nc(C)cc(-c3nnn[n-]3)n1)CC2 ZINC001571249267 953302595 /nfs/dbraw/zinc/30/25/95/953302595.db2.gz HBFQLJWFCFMIDH-CYBMUJFWSA-N -1 1 384.488 1.830 20 0 GDADMM CC[C@@H](C)C(=O)N1CCC2(C1)CCN(c1nc(C)cc(-c3nn[n-]n3)n1)CC2 ZINC001571249267 953302599 /nfs/dbraw/zinc/30/25/99/953302599.db2.gz HBFQLJWFCFMIDH-CYBMUJFWSA-N -1 1 384.488 1.830 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H](C)[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1)C1CC1 ZINC001571251108 953314872 /nfs/dbraw/zinc/31/48/72/953314872.db2.gz WAKCUVCJYKYSHN-UMVBOHGHSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H](C)[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001571251108 953314876 /nfs/dbraw/zinc/31/48/76/953314876.db2.gz WAKCUVCJYKYSHN-UMVBOHGHSA-N -1 1 384.488 1.989 20 0 GDADMM CCC1(C(=O)N2CC[C@H](CN(C)c3nc(C)cc(-c4nnn[n-]4)n3)C2)CCC1 ZINC001571251570 953319083 /nfs/dbraw/zinc/31/90/83/953319083.db2.gz ZQMKVUAVSVCHIV-CQSZACIVSA-N -1 1 384.488 1.830 20 0 GDADMM CCC1(C(=O)N2CC[C@H](CN(C)c3nc(C)cc(-c4nn[n-]n4)n3)C2)CCC1 ZINC001571251570 953319086 /nfs/dbraw/zinc/31/90/86/953319086.db2.gz ZQMKVUAVSVCHIV-CQSZACIVSA-N -1 1 384.488 1.830 20 0 GDADMM CN(c1nccnc1-c1nnn[n-]1)C1CCN(C(=O)[C@H]2CCC(C)(C)C2)CC1 ZINC001571251831 953320912 /nfs/dbraw/zinc/32/09/12/953320912.db2.gz ATFAVWANFNPVRU-ZDUSSCGKSA-N -1 1 384.488 1.910 20 0 GDADMM CN(c1nccnc1-c1nn[n-]n1)C1CCN(C(=O)[C@H]2CCC(C)(C)C2)CC1 ZINC001571251831 953320914 /nfs/dbraw/zinc/32/09/14/953320914.db2.gz ATFAVWANFNPVRU-ZDUSSCGKSA-N -1 1 384.488 1.910 20 0 GDADMM CC[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)CC(C)(C)C1 ZINC001571252332 953326552 /nfs/dbraw/zinc/32/65/52/953326552.db2.gz LHRIBSLDBKHCRL-HZSPNIEDSA-N -1 1 384.488 1.814 20 0 GDADMM CC[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)CC(C)(C)C1 ZINC001571252332 953326557 /nfs/dbraw/zinc/32/65/57/953326557.db2.gz LHRIBSLDBKHCRL-HZSPNIEDSA-N -1 1 384.488 1.814 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@H](NC(=O)C3CC(C)C3)C(C)(C)C2)n1 ZINC001571252406 953327422 /nfs/dbraw/zinc/32/74/22/953327422.db2.gz MCFMYCHEFOPPAL-YIZWMMSDSA-N -1 1 384.488 1.596 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@H](NC(=O)C3CC(C)C3)C(C)(C)C2)n1 ZINC001571252406 953327426 /nfs/dbraw/zinc/32/74/26/953327426.db2.gz MCFMYCHEFOPPAL-YIZWMMSDSA-N -1 1 384.488 1.596 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N(C)[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3CC)C2)n1 ZINC001571252601 953330446 /nfs/dbraw/zinc/33/04/46/953330446.db2.gz QVEXUNQUGMVWBZ-MGPQQGTHSA-N -1 1 384.488 1.692 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N(C)[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3CC)C2)n1 ZINC001571252601 953330452 /nfs/dbraw/zinc/33/04/52/953330452.db2.gz QVEXUNQUGMVWBZ-MGPQQGTHSA-N -1 1 384.488 1.692 20 0 GDADMM CN(CCC1CCN(C(=O)[C@H]2CC2(C)C)CC1)c1cncc(-c2nnn[n-]2)n1 ZINC001571252694 953331472 /nfs/dbraw/zinc/33/14/72/953331472.db2.gz UFCDKYUUUAGIFU-CQSZACIVSA-N -1 1 384.488 1.768 20 0 GDADMM CN(CCC1CCN(C(=O)[C@H]2CC2(C)C)CC1)c1cncc(-c2nn[n-]n2)n1 ZINC001571252694 953331474 /nfs/dbraw/zinc/33/14/74/953331474.db2.gz UFCDKYUUUAGIFU-CQSZACIVSA-N -1 1 384.488 1.768 20 0 GDADMM O=C(NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ccc(Cl)cc1 ZINC001571254117 953336152 /nfs/dbraw/zinc/33/61/52/953336152.db2.gz AACUWZVRGMRKGI-MJHDQNEOSA-N -1 1 384.831 1.931 20 0 GDADMM O=C(NC[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ccc(Cl)cc1 ZINC001571254117 953336157 /nfs/dbraw/zinc/33/61/57/953336157.db2.gz AACUWZVRGMRKGI-MJHDQNEOSA-N -1 1 384.831 1.931 20 0 GDADMM C[C@H]1CCN(C(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)C[C@H]1C(=O)[O-] ZINC000579706614 953711086 /nfs/dbraw/zinc/71/10/86/953711086.db2.gz QDOLVMFCPNBPBB-GOEBONIOSA-N -1 1 396.532 1.365 20 0 GDADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000582845067 953725536 /nfs/dbraw/zinc/72/55/36/953725536.db2.gz DCSFNYJLFSJYPF-QWHCGFSZSA-N -1 1 383.470 1.061 20 0 GDADMM C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CCC(C)(C(=O)[O-])CC1 ZINC000647372659 953955537 /nfs/dbraw/zinc/95/55/37/953955537.db2.gz RGJDQPGXUPSXDJ-CYBMUJFWSA-N -1 1 397.497 1.451 20 0 GDADMM O=C([O-])Cn1cnc(NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)n1 ZINC000647783900 953983094 /nfs/dbraw/zinc/98/30/94/953983094.db2.gz DSJCIOVAMQTGOR-INIZCTEOSA-N -1 1 397.357 1.756 20 0 GDADMM C[C@@H](C1CC1)N(C(=O)CN1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1)C1CC1 ZINC000650499514 954016217 /nfs/dbraw/zinc/01/62/17/954016217.db2.gz UQORYNJCEDJLFJ-DZGCQCFKSA-N -1 1 377.485 1.173 20 0 GDADMM CNS(=O)(=O)c1cc(NC(=O)CN2CCCC[C@H]2CC(=O)[O-])ccc1C ZINC000650504247 954018376 /nfs/dbraw/zinc/01/83/76/954018376.db2.gz FASOAYZWVAAVFC-AWEZNQCLSA-N -1 1 383.470 1.171 20 0 GDADMM O=C([O-])C1(CNC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)CCC1 ZINC000659420282 954344075 /nfs/dbraw/zinc/34/40/75/954344075.db2.gz CKMVWQMVYBIVJM-DLBZAZTESA-N -1 1 375.469 1.424 20 0 GDADMM CCCCCc1cc(C(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)n[nH]1 ZINC000659762882 954363854 /nfs/dbraw/zinc/36/38/54/954363854.db2.gz CNJXZXREMMATES-CYBMUJFWSA-N -1 1 376.457 1.680 20 0 GDADMM O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1C[C@H]1COC2(CCCCC2)O1 ZINC001594896122 954566541 /nfs/dbraw/zinc/56/65/41/954566541.db2.gz MJXXYUSADWWDBP-AVGNSLFASA-N -1 1 394.390 1.658 20 0 GDADMM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C[C@H](O)c3ccc(Cl)c(F)c3)CC2)C1 ZINC001594898015 954586992 /nfs/dbraw/zinc/58/69/92/954586992.db2.gz FLINIOCMGFZGFY-WBMJQRKESA-N -1 1 384.835 1.910 20 0 GDADMM Cc1oc(C(C)C)nc1C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001594506627 955361938 /nfs/dbraw/zinc/36/19/38/955361938.db2.gz NYPWPOPCLXQMQO-ONGXEEELSA-N -1 1 391.346 1.843 20 0 GDADMM C[C@@H](CN(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)C(=O)[O-] ZINC001589032883 955532291 /nfs/dbraw/zinc/53/22/91/955532291.db2.gz RPKVSZHMWLBNDL-GXFFZTMASA-N -1 1 387.358 1.945 20 0 GDADMM Cn1cc(CN2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c(I)n1 ZINC001594542676 955665863 /nfs/dbraw/zinc/66/58/63/955665863.db2.gz HVYCDOBTYZIIPG-WDEREUQCSA-N -1 1 375.210 1.567 20 0 GDADMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cc(C2CC2)no1 ZINC000851700506 955812808 /nfs/dbraw/zinc/81/28/08/955812808.db2.gz BUUHFLLELBHHDE-KCJUWKMLSA-N -1 1 375.303 1.288 20 0 GDADMM O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccc(C(F)F)nc1 ZINC000851703865 955828845 /nfs/dbraw/zinc/82/88/45/955828845.db2.gz QFJYLGANDMLEHS-WCBMZHEXSA-N -1 1 395.284 1.756 20 0 GDADMM 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O=C(CSc1n[nH]c(=O)[n-]1)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000376676560 532224458 /nfs/dbraw/zinc/22/44/58/532224458.db2.gz BFWWONOUIJKXQM-UHFFFAOYSA-N -1 1 376.364 1.751 20 0 GDADMM CC(=O)Nc1ncc(S(=O)(=O)N[C@H](C)CN(C)Cc2ccccc2)s1 ZINC000287795788 532241826 /nfs/dbraw/zinc/24/18/26/532241826.db2.gz LJWMJAZPZFKKLB-GFCCVEGCSA-N -1 1 382.511 1.900 20 0 GDADMM O=C([O-])[C@H]1[C@@H]2CCCN2CCN1S(=O)(=O)c1c(Cl)cccc1Cl ZINC000377113510 532242726 /nfs/dbraw/zinc/24/27/26/532242726.db2.gz KASWXBOCYWDSCT-NWDGAFQWSA-N -1 1 379.265 1.915 20 0 GDADMM Cn1cc([C@H](CO)[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)cn1 ZINC000287857865 532246222 /nfs/dbraw/zinc/24/62/22/532246222.db2.gz PFJKDSMLMNABHZ-JTQLQIEISA-N -1 1 383.323 1.470 20 0 GDADMM COc1cc(C(=O)N[C@H]2CCCC[C@@H]2NS(C)(=O)=O)cc(Cl)c1[O-] ZINC000334091284 532263457 /nfs/dbraw/zinc/26/34/57/532263457.db2.gz KHYLCTZSJXPMRR-RYUDHWBXSA-N -1 1 376.862 1.644 20 0 GDADMM Cc1nc(S(=O)(=O)[N-]C[C@@](C)(O)c2ccsc2)c(Br)n1C ZINC000288142855 532266769 /nfs/dbraw/zinc/26/67/69/532266769.db2.gz NIAXXTYDDSOGPZ-GFCCVEGCSA-N -1 1 394.316 1.739 20 0 GDADMM O=C(CCCc1ccccc1Br)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000378165569 532281752 /nfs/dbraw/zinc/28/17/52/532281752.db2.gz ZXQIOGFEIOEHEV-ZDUSSCGKSA-N -1 1 380.246 1.885 20 0 GDADMM CC(C)N(C1CC1)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC(F)F ZINC000349446676 532284863 /nfs/dbraw/zinc/28/48/63/532284863.db2.gz ACAPNSPQIRXXFQ-UHFFFAOYSA-N -1 1 382.454 1.792 20 0 GDADMM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CCCN(CC(=O)[O-])CC1 ZINC000275306464 532285286 /nfs/dbraw/zinc/28/52/86/532285286.db2.gz NQDBIENYEBFJOR-UHFFFAOYSA-N -1 1 380.388 1.795 20 0 GDADMM O=C([O-])CN1CCCN(S(=O)(=O)c2ccc(OCC(F)F)cc2)CC1 ZINC000275328110 532286885 /nfs/dbraw/zinc/28/68/85/532286885.db2.gz QBCUROXMMXUWNL-UHFFFAOYSA-N -1 1 378.397 1.112 20 0 GDADMM CC1=CCCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccc(Cl)cn2)C1 ZINC000349459269 532291671 /nfs/dbraw/zinc/29/16/71/532291671.db2.gz MZWRLNBZLNRHJU-UHFFFAOYSA-N -1 1 393.918 1.849 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2cc(I)ccc2[O-])CCS1(=O)=O ZINC000381828710 532295121 /nfs/dbraw/zinc/29/51/21/532295121.db2.gz ITGQDRVPULHXQL-GMSGAONNSA-N -1 1 395.218 1.302 20 0 GDADMM COCCN1CCC[C@H]([N-]S(=O)(=O)c2sccc2Br)C1 ZINC000398872782 532303004 /nfs/dbraw/zinc/30/30/04/532303004.db2.gz AQMMACSPVLTXPK-JTQLQIEISA-N -1 1 383.333 1.900 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)[N-]CCOCC(F)F)c(Br)o1 ZINC000276252199 532324840 /nfs/dbraw/zinc/32/48/40/532324840.db2.gz QYACVCUULJIUCZ-UHFFFAOYSA-N -1 1 392.174 1.389 20 0 GDADMM CC(C)(CNC(=O)CSc1nc(C(F)F)cc(=O)[n-]1)N1CCOCC1 ZINC000289490625 532325880 /nfs/dbraw/zinc/32/58/80/532325880.db2.gz JJNUGAFVRUTRTI-UHFFFAOYSA-N -1 1 376.429 1.439 20 0 GDADMM NC(=O)[C@@H](c1cccc(Br)c1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000289505944 532326163 /nfs/dbraw/zinc/32/61/63/532326163.db2.gz UPGGSEHJDZPJDU-ZYHUDNBSSA-N -1 1 380.246 1.267 20 0 GDADMM CN(Cc1nc(=O)[n-][nH]1)Cc1cccc(Br)c1OCC(C)(C)O ZINC000276181595 532322038 /nfs/dbraw/zinc/32/20/38/532322038.db2.gz VHBKCTKFPINRIB-UHFFFAOYSA-N -1 1 385.262 1.642 20 0 GDADMM COC(=O)c1cc(Br)c(S(=O)(=O)NCCCC(=O)[O-])s1 ZINC000289583283 532328560 /nfs/dbraw/zinc/32/85/60/532328560.db2.gz GFBBYNHUHUPPCQ-UHFFFAOYSA-N -1 1 386.245 1.440 20 0 GDADMM COc1ccc(S(=O)(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000289629423 532329680 /nfs/dbraw/zinc/32/96/80/532329680.db2.gz RVEKPNBGJIDPSZ-LLVKDONJSA-N -1 1 380.388 1.774 20 0 GDADMM COC(=O)[C@H]1CCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000289756296 532331644 /nfs/dbraw/zinc/33/16/44/532331644.db2.gz IRMTZUHYAFJTCA-VIFPVBQESA-N -1 1 395.264 1.293 20 0 GDADMM CCCN(CC(=O)OCC)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736471809 598873954 /nfs/dbraw/zinc/87/39/54/598873954.db2.gz WRKAQLLEPACBIB-UHFFFAOYSA-N -1 1 387.849 1.484 20 0 GDADMM CCCN(CC(=O)OCC)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736471809 598873956 /nfs/dbraw/zinc/87/39/56/598873956.db2.gz WRKAQLLEPACBIB-UHFFFAOYSA-N -1 1 387.849 1.484 20 0 GDADMM NC(=O)CC[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000737748182 598874530 /nfs/dbraw/zinc/87/45/30/598874530.db2.gz OZDOANHMKNVXFH-JTQLQIEISA-N -1 1 398.876 1.186 20 0 GDADMM NC(=O)CC[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000737748182 598874533 /nfs/dbraw/zinc/87/45/33/598874533.db2.gz OZDOANHMKNVXFH-JTQLQIEISA-N -1 1 398.876 1.186 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CCOC[C@H]2CC(C)C)cc1-c1nn[n-]n1 ZINC000737187288 598878857 /nfs/dbraw/zinc/87/88/57/598878857.db2.gz PNFHOMUHKNOGSN-SNVBAGLBSA-N -1 1 378.458 1.576 20 0 GDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C=Cc1ccccc1-c1nn[nH]n1 ZINC000737487166 598913197 /nfs/dbraw/zinc/91/31/97/598913197.db2.gz GARYJAFXQGNQSC-BQYQJAHWSA-N -1 1 390.407 1.561 20 0 GDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)CCc1ccc(-c2nn[nH]n2)cc1 ZINC000737487768 598912946 /nfs/dbraw/zinc/91/29/46/598912946.db2.gz IXNYHMCZEXCQQV-UHFFFAOYSA-N -1 1 392.423 1.481 20 0 GDADMM CCN(CC)C(=O)C1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000736520680 598963611 /nfs/dbraw/zinc/96/36/11/598963611.db2.gz ATZIAFQRZSUUGM-UHFFFAOYSA-N -1 1 380.456 1.895 20 0 GDADMM CCN(CC)C(=O)C1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000736520680 598963613 /nfs/dbraw/zinc/96/36/13/598963613.db2.gz ATZIAFQRZSUUGM-UHFFFAOYSA-N -1 1 380.456 1.895 20 0 GDADMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(-c2nn[nH]n2)c1C ZINC000821772570 607255636 /nfs/dbraw/zinc/25/56/36/607255636.db2.gz GFUXMZJVEVIORF-UHFFFAOYSA-N -1 1 389.393 1.683 20 0 GDADMM Cc1ccc(Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1OCCC(C)C ZINC000737362482 598971318 /nfs/dbraw/zinc/97/13/18/598971318.db2.gz QMDXKXZOQKAUBX-UHFFFAOYSA-N -1 1 399.455 1.741 20 0 GDADMM CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735875179 598982976 /nfs/dbraw/zinc/98/29/76/598982976.db2.gz JUDRQXXDELOLDN-UHFFFAOYSA-N -1 1 390.407 1.961 20 0 GDADMM CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735875179 598982978 /nfs/dbraw/zinc/98/29/78/598982978.db2.gz JUDRQXXDELOLDN-UHFFFAOYSA-N -1 1 390.407 1.961 20 0 GDADMM CSc1nnnn1-c1cccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737189856 598987959 /nfs/dbraw/zinc/98/79/59/598987959.db2.gz RJHJZSTUSMSSOA-UHFFFAOYSA-N -1 1 380.397 1.212 20 0 GDADMM CSc1nnnn1-c1cccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737189856 598987960 /nfs/dbraw/zinc/98/79/60/598987960.db2.gz RJHJZSTUSMSSOA-UHFFFAOYSA-N -1 1 380.397 1.212 20 0 GDADMM O=C(NCc1nn(-c2ccccc2)c2c1CCC2)c1ccc(-c2nnn[n-]2)nc1 ZINC000738122869 598994777 /nfs/dbraw/zinc/99/47/77/598994777.db2.gz JJMBLAYIGQQSGH-UHFFFAOYSA-N -1 1 386.419 1.866 20 0 GDADMM O=C(NCc1nn(-c2ccccc2)c2c1CCC2)c1ccc(-c2nn[n-]n2)nc1 ZINC000738122869 598994779 /nfs/dbraw/zinc/99/47/79/598994779.db2.gz JJMBLAYIGQQSGH-UHFFFAOYSA-N -1 1 386.419 1.866 20 0 GDADMM COc1ccc(CCNC(=O)c2ccc(-c3nnn[n-]3)nc2)c(OC)c1OC ZINC000737088136 599002143 /nfs/dbraw/zinc/00/21/43/599002143.db2.gz LEWLXWIMNVOSOP-UHFFFAOYSA-N -1 1 384.396 1.260 20 0 GDADMM COc1ccc(CCNC(=O)c2ccc(-c3nn[n-]n3)nc2)c(OC)c1OC ZINC000737088136 599002145 /nfs/dbraw/zinc/00/21/45/599002145.db2.gz LEWLXWIMNVOSOP-UHFFFAOYSA-N -1 1 384.396 1.260 20 0 GDADMM Nc1cc(CCCNC(=O)c2ccc(-c3nnn[n-]3)nc2)nn1-c1ccccc1 ZINC000737773317 599002375 /nfs/dbraw/zinc/00/23/75/599002375.db2.gz KNGNCEKWFKQRIC-UHFFFAOYSA-N -1 1 389.423 1.392 20 0 GDADMM Nc1cc(CCCNC(=O)c2ccc(-c3nn[n-]n3)nc2)nn1-c1ccccc1 ZINC000737773317 599002376 /nfs/dbraw/zinc/00/23/76/599002376.db2.gz KNGNCEKWFKQRIC-UHFFFAOYSA-N -1 1 389.423 1.392 20 0 GDADMM Cc1cc(NC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)nnc1C ZINC000737272769 599008180 /nfs/dbraw/zinc/00/81/80/599008180.db2.gz ZQDFBVIGMUTUHA-UHFFFAOYSA-N -1 1 392.427 1.504 20 0 GDADMM Cc1cc(NC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)nnc1C ZINC000737272769 599008182 /nfs/dbraw/zinc/00/81/82/599008182.db2.gz ZQDFBVIGMUTUHA-UHFFFAOYSA-N -1 1 392.427 1.504 20 0 GDADMM Cc1cccc(NC(=O)N2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)c1 ZINC000737399888 599028142 /nfs/dbraw/zinc/02/81/42/599028142.db2.gz NQICPIAMASPQPA-UHFFFAOYSA-N -1 1 392.423 1.560 20 0 GDADMM Cc1cccc(NC(=O)N2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)c1 ZINC000737399888 599028143 /nfs/dbraw/zinc/02/81/43/599028143.db2.gz NQICPIAMASPQPA-UHFFFAOYSA-N -1 1 392.423 1.560 20 0 GDADMM O=C(OCCCn1nnc(-c2ccccc2)n1)c1sccc1-c1nn[n-]n1 ZINC000738222503 599029224 /nfs/dbraw/zinc/02/92/24/599029224.db2.gz PBHFUHGXDSUKBZ-UHFFFAOYSA-N -1 1 382.409 1.829 20 0 GDADMM Cc1nc(CN2CCCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)oc1C ZINC000737476726 599029330 /nfs/dbraw/zinc/02/93/30/599029330.db2.gz HRTXLHHNUVIBLD-UHFFFAOYSA-N -1 1 382.428 1.215 20 0 GDADMM Cc1nc(CN2CCCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)oc1C ZINC000737476726 599029331 /nfs/dbraw/zinc/02/93/31/599029331.db2.gz HRTXLHHNUVIBLD-UHFFFAOYSA-N -1 1 382.428 1.215 20 0 GDADMM Cc1cccc(CN(C)C(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)n1 ZINC000737393732 599030078 /nfs/dbraw/zinc/03/00/78/599030078.db2.gz KJZIPHWAQLFXDO-UHFFFAOYSA-N -1 1 381.440 1.879 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000735625334 599030606 /nfs/dbraw/zinc/03/06/06/599030606.db2.gz CYEBEQCUZIZGTO-LBPRGKRZSA-N -1 1 387.444 1.639 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000735625334 599030608 /nfs/dbraw/zinc/03/06/08/599030608.db2.gz CYEBEQCUZIZGTO-LBPRGKRZSA-N -1 1 387.444 1.639 20 0 GDADMM CCOC(=O)[C@H](Cc1ccccc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736591590 599030673 /nfs/dbraw/zinc/03/06/73/599030673.db2.gz WDYFVMLQKXNPGA-INIZCTEOSA-N -1 1 380.408 1.508 20 0 GDADMM CCOC(=O)[C@H](Cc1ccccc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736591590 599030675 /nfs/dbraw/zinc/03/06/75/599030675.db2.gz WDYFVMLQKXNPGA-INIZCTEOSA-N -1 1 380.408 1.508 20 0 GDADMM Cc1nsc(N2CCN(c3c4ccccc4nnc3-c3nnn[n-]3)CC2)n1 ZINC000822530523 599105524 /nfs/dbraw/zinc/10/55/24/599105524.db2.gz FRGUEQSWYVYLON-UHFFFAOYSA-N -1 1 380.441 1.296 20 0 GDADMM Cc1nsc(N2CCN(c3c4ccccc4nnc3-c3nn[n-]n3)CC2)n1 ZINC000822530523 599105526 /nfs/dbraw/zinc/10/55/26/599105526.db2.gz FRGUEQSWYVYLON-UHFFFAOYSA-N -1 1 380.441 1.296 20 0 GDADMM O=C(NC[C@@H](O)c1ccccc1C(F)(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC000738041588 599106612 /nfs/dbraw/zinc/10/66/12/599106612.db2.gz SLQQTJFXFMKQJT-CYBMUJFWSA-N -1 1 378.314 1.744 20 0 GDADMM O=C(NC[C@@H](O)c1ccccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC000738041588 599106614 /nfs/dbraw/zinc/10/66/14/599106614.db2.gz SLQQTJFXFMKQJT-CYBMUJFWSA-N -1 1 378.314 1.744 20 0 GDADMM COc1ccc(C)cc1NC(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737077495 599138771 /nfs/dbraw/zinc/13/87/71/599138771.db2.gz QEZIYNMASYNFIT-NSHDSACASA-N -1 1 382.380 1.763 20 0 GDADMM COc1ccc(C)cc1NC(=O)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737077495 599138773 /nfs/dbraw/zinc/13/87/73/599138773.db2.gz QEZIYNMASYNFIT-NSHDSACASA-N -1 1 382.380 1.763 20 0 GDADMM COc1ccccc1[C@@H](C)N(C)C(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737140889 599141197 /nfs/dbraw/zinc/14/11/97/599141197.db2.gz GKMQAISWCYWNOJ-GFCCVEGCSA-N -1 1 396.407 1.647 20 0 GDADMM COc1ccccc1[C@@H](C)N(C)C(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737140889 599141200 /nfs/dbraw/zinc/14/12/00/599141200.db2.gz GKMQAISWCYWNOJ-GFCCVEGCSA-N -1 1 396.407 1.647 20 0 GDADMM COc1ccc(-c2nc(S[C@H]3CCN(C)C3=O)[nH]c(=O)c2-c2nn[n-]n2)cc1 ZINC000737055177 599158991 /nfs/dbraw/zinc/15/89/91/599158991.db2.gz ADOAOMIPEGDEDK-NSHDSACASA-N -1 1 399.436 1.361 20 0 GDADMM CC[C@@H](Cc1ccc(Cl)cc1)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736355378 599173171 /nfs/dbraw/zinc/17/31/71/599173171.db2.gz ZZGWYZOALRJLOS-LBPRGKRZSA-N -1 1 389.847 1.351 20 0 GDADMM CCOC(=O)c1csc(N(C(=O)c2ccc(-c3nnn[n-]3)nc2)C2CC2)n1 ZINC000736605657 599199648 /nfs/dbraw/zinc/19/96/48/599199648.db2.gz OXIIWSCBZDGCBB-UHFFFAOYSA-N -1 1 385.409 1.704 20 0 GDADMM CCOC(=O)c1csc(N(C(=O)c2ccc(-c3nn[n-]n3)nc2)C2CC2)n1 ZINC000736605657 599199650 /nfs/dbraw/zinc/19/96/50/599199650.db2.gz OXIIWSCBZDGCBB-UHFFFAOYSA-N -1 1 385.409 1.704 20 0 GDADMM O=S(=O)(Oc1cccnc1Br)c1ccc(-c2nnn[n-]2)nc1 ZINC000823594181 607259822 /nfs/dbraw/zinc/25/98/22/607259822.db2.gz CXTRNRDYLYKSMZ-UHFFFAOYSA-N -1 1 383.187 1.187 20 0 GDADMM O=S(=O)(Oc1cccnc1Br)c1ccc(-c2nn[n-]n2)nc1 ZINC000823594181 607259823 /nfs/dbraw/zinc/25/98/23/607259823.db2.gz CXTRNRDYLYKSMZ-UHFFFAOYSA-N -1 1 383.187 1.187 20 0 GDADMM COc1ccc(Cc2nnc(Sc3nccnc3-c3nn[n-]n3)o2)cc1OC ZINC000737097469 599231201 /nfs/dbraw/zinc/23/12/01/599231201.db2.gz KMSPTXCSECRYND-UHFFFAOYSA-N -1 1 398.408 1.799 20 0 GDADMM CCC[C@](C)(O)C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000821008139 607265010 /nfs/dbraw/zinc/26/50/10/607265010.db2.gz HIWOHOBQZZIDGX-SFHVURJKSA-N -1 1 399.411 1.085 20 0 GDADMM CCC[C@](C)(O)C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000821008139 607265011 /nfs/dbraw/zinc/26/50/11/607265011.db2.gz HIWOHOBQZZIDGX-SFHVURJKSA-N -1 1 399.411 1.085 20 0 GDADMM Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N1CCC[C@H](CC(=O)[O-])C1 ZINC000533203145 597073836 /nfs/dbraw/zinc/07/38/36/597073836.db2.gz NBPNUJZQPRKONK-HZPDHXFCSA-N -1 1 375.469 1.933 20 0 GDADMM O=C([O-])C[C@H]1CCCN(CC(=O)Nc2ccc(CN3CCOCC3)cc2)C1 ZINC000819374865 597076294 /nfs/dbraw/zinc/07/62/94/597076294.db2.gz BQXGMJMHRSZENN-QGZVFWFLSA-N -1 1 375.469 1.644 20 0 GDADMM CCC1(O)CCN(C(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)CC1 ZINC000736395187 599248967 /nfs/dbraw/zinc/24/89/67/599248967.db2.gz IHWJULOHWTWGCO-UHFFFAOYSA-N -1 1 398.471 1.222 20 0 GDADMM CCC1(O)CCN(C(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)CC1 ZINC000736395187 599248970 /nfs/dbraw/zinc/24/89/70/599248970.db2.gz IHWJULOHWTWGCO-UHFFFAOYSA-N -1 1 398.471 1.222 20 0 GDADMM Cn1ccnc1-c1cc(NC(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)[nH]n1 ZINC000819072124 597323290 /nfs/dbraw/zinc/32/32/90/597323290.db2.gz FNAXLMKSXRPFPJ-AWEZNQCLSA-N -1 1 379.380 1.468 20 0 GDADMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2C ZINC000820539009 597386320 /nfs/dbraw/zinc/38/63/20/597386320.db2.gz CVYMJVXAYIYUKM-UHFFFAOYSA-N -1 1 391.449 1.067 20 0 GDADMM O=C1[C@@H](n2cc(-c3nn[n-]n3)c(=O)c3ccccc32)CCN1CC(F)(F)F ZINC000738294252 599291154 /nfs/dbraw/zinc/29/11/54/599291154.db2.gz AQVXLEZKKMFQRU-LBPRGKRZSA-N -1 1 378.314 1.517 20 0 GDADMM Cc1oc(NC(=O)CN2CCC[C@H](NC(=O)C(C)C)C2)c(-c2nn[n-]n2)c1C ZINC000737552392 598251722 /nfs/dbraw/zinc/25/17/22/598251722.db2.gz OQNPAHJDYDSXIR-ZDUSSCGKSA-N -1 1 389.460 1.252 20 0 GDADMM O=S(=O)(Oc1c(F)c(F)cc(F)c1F)c1ccc(-c2nnn[n-]2)nc1 ZINC000738338734 598261062 /nfs/dbraw/zinc/26/10/62/598261062.db2.gz IJPAGACQNGEZBU-UHFFFAOYSA-N -1 1 375.263 1.586 20 0 GDADMM O=S(=O)(Oc1c(F)c(F)cc(F)c1F)c1ccc(-c2nn[n-]n2)nc1 ZINC000738338734 598261064 /nfs/dbraw/zinc/26/10/64/598261064.db2.gz IJPAGACQNGEZBU-UHFFFAOYSA-N -1 1 375.263 1.586 20 0 GDADMM O=S(=O)(NCc1ccccc1N1CCCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344870 598268290 /nfs/dbraw/zinc/26/82/90/598268290.db2.gz KNQURRMADXMXEH-UHFFFAOYSA-N -1 1 385.453 1.340 20 0 GDADMM O=S(=O)(NCc1ccccc1N1CCCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738344870 598268291 /nfs/dbraw/zinc/26/82/91/598268291.db2.gz KNQURRMADXMXEH-UHFFFAOYSA-N -1 1 385.453 1.340 20 0 GDADMM COc1ccc([C@H]2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)C2)cc1 ZINC000737077493 598272000 /nfs/dbraw/zinc/27/20/00/598272000.db2.gz UZLXMFMKECFKLX-ZDUSSCGKSA-N -1 1 386.437 1.449 20 0 GDADMM COc1ccc([C@H]2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)C2)cc1 ZINC000737077493 598272002 /nfs/dbraw/zinc/27/20/02/598272002.db2.gz UZLXMFMKECFKLX-ZDUSSCGKSA-N -1 1 386.437 1.449 20 0 GDADMM COC(=O)CCc1ccc([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000736919892 598283340 /nfs/dbraw/zinc/28/33/40/598283340.db2.gz YLNKKXQDVJKSQH-UHFFFAOYSA-N -1 1 387.421 1.773 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)O[C@H](C)C(=O)NCC(C)C ZINC000737200910 598308162 /nfs/dbraw/zinc/30/81/62/598308162.db2.gz OEFZKKXXUOYETI-GFCCVEGCSA-N -1 1 390.444 1.221 20 0 GDADMM Cc1ccc2oc(N3CCN(c4nccnc4-c4nnn[n-]4)C[C@@H]3C)nc2c1 ZINC000737380859 598335047 /nfs/dbraw/zinc/33/50/47/598335047.db2.gz SLGVZPXKGDHNTC-LBPRGKRZSA-N -1 1 377.412 1.821 20 0 GDADMM Cc1ccc2oc(N3CCN(c4nccnc4-c4nn[n-]n4)C[C@@H]3C)nc2c1 ZINC000737380859 598335049 /nfs/dbraw/zinc/33/50/49/598335049.db2.gz SLGVZPXKGDHNTC-LBPRGKRZSA-N -1 1 377.412 1.821 20 0 GDADMM COc1ccc([C@@H](CNc2nccnc2-c2nnn[n-]2)N2CCOCC2)cc1 ZINC000737076915 598337854 /nfs/dbraw/zinc/33/78/54/598337854.db2.gz UAHRVQRGRLQGIX-OAHLLOKOSA-N -1 1 382.428 1.151 20 0 GDADMM COc1ccc([C@@H](CNc2nccnc2-c2nn[n-]n2)N2CCOCC2)cc1 ZINC000737076915 598337856 /nfs/dbraw/zinc/33/78/56/598337856.db2.gz UAHRVQRGRLQGIX-OAHLLOKOSA-N -1 1 382.428 1.151 20 0 GDADMM c1cnc(-c2nnn[n-]2)c(Nc2ccc3nc(N4CCOCC4)sc3c2)n1 ZINC000738445351 598338350 /nfs/dbraw/zinc/33/83/50/598338350.db2.gz FTXPEPPQARNWQR-UHFFFAOYSA-N -1 1 381.425 1.847 20 0 GDADMM c1cnc(-c2nn[n-]n2)c(Nc2ccc3nc(N4CCOCC4)sc3c2)n1 ZINC000738445351 598338352 /nfs/dbraw/zinc/33/83/52/598338352.db2.gz FTXPEPPQARNWQR-UHFFFAOYSA-N -1 1 381.425 1.847 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(CNc3nccnc3-c3nnn[n-]3)cc2)C[C@@H](C)O1 ZINC000736290062 598348184 /nfs/dbraw/zinc/34/81/84/598348184.db2.gz GRZSMATURKWVIJ-CHWSQXEVSA-N -1 1 394.439 1.518 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(CNc3nccnc3-c3nn[n-]n3)cc2)C[C@@H](C)O1 ZINC000736290062 598348186 /nfs/dbraw/zinc/34/81/86/598348186.db2.gz GRZSMATURKWVIJ-CHWSQXEVSA-N -1 1 394.439 1.518 20 0 GDADMM CCc1nn(CC(=O)N[C@H](C)c2ccc(F)cc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706117 598377865 /nfs/dbraw/zinc/37/78/65/598377865.db2.gz UEDBUFPYXGLRSK-LLVKDONJSA-N -1 1 399.430 1.565 20 0 GDADMM CCN(CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1)CC(F)(F)F ZINC000736510735 598383182 /nfs/dbraw/zinc/38/31/82/598383182.db2.gz ICVMVSFOFPTSSD-UHFFFAOYSA-N -1 1 394.361 1.875 20 0 GDADMM CCN(CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1)CC(F)(F)F ZINC000736510735 598383183 /nfs/dbraw/zinc/38/31/83/598383183.db2.gz ICVMVSFOFPTSSD-UHFFFAOYSA-N -1 1 394.361 1.875 20 0 GDADMM CNC(=O)[C@H](C)NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736868637 598396156 /nfs/dbraw/zinc/39/61/56/598396156.db2.gz SFJQIIUPBFSUEL-JTQLQIEISA-N -1 1 384.371 1.662 20 0 GDADMM CNC(=O)[C@H](C)NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736868637 598396157 /nfs/dbraw/zinc/39/61/57/598396157.db2.gz SFJQIIUPBFSUEL-JTQLQIEISA-N -1 1 384.371 1.662 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCc1nnc(C2CC2)n1C ZINC000737200449 598425198 /nfs/dbraw/zinc/42/51/98/598425198.db2.gz MVKVHBHSLSGDJX-UHFFFAOYSA-N -1 1 398.427 1.266 20 0 GDADMM CN(Cc1ccc(F)cc1Cl)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736820282 598428508 /nfs/dbraw/zinc/42/85/08/598428508.db2.gz UNMSJYJHTOZWTC-UHFFFAOYSA-N -1 1 382.808 1.875 20 0 GDADMM CN(Cc1ccc(F)cc1Cl)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736820282 598428509 /nfs/dbraw/zinc/42/85/09/598428509.db2.gz UNMSJYJHTOZWTC-UHFFFAOYSA-N -1 1 382.808 1.875 20 0 GDADMM CCc1ccc(-n2nc(C(=O)n3ncc(-c4nn[n-]n4)c3N)c3c2CCC3)cc1 ZINC000736676902 598474284 /nfs/dbraw/zinc/47/42/84/598474284.db2.gz HVMYKORIQLIQPV-UHFFFAOYSA-N -1 1 389.423 1.571 20 0 GDADMM COC(=O)Cn1ccc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)n1 ZINC000736931917 598495853 /nfs/dbraw/zinc/49/58/53/598495853.db2.gz CUDNDFHYRCDFOV-UHFFFAOYSA-N -1 1 396.367 1.181 20 0 GDADMM COC(=O)Cn1ccc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)n1 ZINC000736931917 598495854 /nfs/dbraw/zinc/49/58/54/598495854.db2.gz CUDNDFHYRCDFOV-UHFFFAOYSA-N -1 1 396.367 1.181 20 0 GDADMM Cc1ccc(-n2nc(C(=O)n3ncc(-c4nn[n-]n4)c3N)c3c2CCCC3)cc1 ZINC000737306072 598513298 /nfs/dbraw/zinc/51/32/98/598513298.db2.gz MZGGNPDVEZZPBS-UHFFFAOYSA-N -1 1 389.423 1.707 20 0 GDADMM C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccccc1Oc1ncccc1-c1nn[n-]n1 ZINC000736235570 598535587 /nfs/dbraw/zinc/53/55/87/598535587.db2.gz GIFHEOHLFVLLEG-MFKMUULPSA-N -1 1 379.380 1.517 20 0 GDADMM Cc1cc(Oc2ncccc2-c2nn[n-]n2)ccc1NC(=O)C(=O)N[C@H]1C[C@@H]1C ZINC000737280958 598536263 /nfs/dbraw/zinc/53/62/63/598536263.db2.gz WGZPEBFYEHMIOU-NHYWBVRUSA-N -1 1 393.407 1.826 20 0 GDADMM CCN1C(=S)N=NC1CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000736713670 598541346 /nfs/dbraw/zinc/54/13/46/598541346.db2.gz KXFFRHQLBHGKHP-UHFFFAOYSA-N -1 1 399.440 1.389 20 0 GDADMM CCN1C(=S)N=NC1CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000736713670 598541347 /nfs/dbraw/zinc/54/13/47/598541347.db2.gz KXFFRHQLBHGKHP-UHFFFAOYSA-N -1 1 399.440 1.389 20 0 GDADMM CN1C(=O)c2cc(Cl)ccc2N[C@H]1c1cnc2c(-c3nnn[n-]3)cnn2c1 ZINC000736847077 598543264 /nfs/dbraw/zinc/54/32/64/598543264.db2.gz UAKYAMMOGSHTIS-CQSZACIVSA-N -1 1 381.787 1.759 20 0 GDADMM CN1C(=O)c2cc(Cl)ccc2N[C@H]1c1cnc2c(-c3nn[n-]n3)cnn2c1 ZINC000736847077 598543265 /nfs/dbraw/zinc/54/32/65/598543265.db2.gz UAKYAMMOGSHTIS-CQSZACIVSA-N -1 1 381.787 1.759 20 0 GDADMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[nH]n3)c2)c1 ZINC000736951064 598593087 /nfs/dbraw/zinc/59/30/87/598593087.db2.gz MJOYYHYHZCBKBC-UHFFFAOYSA-N -1 1 391.384 1.902 20 0 GDADMM CCc1nn(Cc2ccc(F)cc2C(=O)OC)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736707849 598642733 /nfs/dbraw/zinc/64/27/33/598642733.db2.gz UZGXWGWZDCIRBT-UHFFFAOYSA-N -1 1 386.387 1.522 20 0 GDADMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2)ccc1F ZINC000736602286 598663390 /nfs/dbraw/zinc/66/33/90/598663390.db2.gz GTZIYUIUGJDIJX-UHFFFAOYSA-N -1 1 391.384 1.983 20 0 GDADMM O=C(Cn1cccc(-c2nn[n-]n2)c1=O)Nc1ccc(Br)cc1 ZINC000737986119 598677914 /nfs/dbraw/zinc/67/79/14/598677914.db2.gz CBWGYBFGZOYNLI-UHFFFAOYSA-N -1 1 375.186 1.430 20 0 GDADMM O=C(Cn1cccc(-c2nn[n-]n2)c1=O)N1CCC(Cc2ccccc2)CC1 ZINC000737986753 598677982 /nfs/dbraw/zinc/67/79/82/598677982.db2.gz NZCSIPNVOWFGJX-UHFFFAOYSA-N -1 1 378.436 1.510 20 0 GDADMM Cc1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)on1 ZINC000737261030 598690945 /nfs/dbraw/zinc/69/09/45/598690945.db2.gz BRNTUCZYEFRXSA-ZDUSSCGKSA-N -1 1 378.389 1.828 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCOc2ccccc2C1 ZINC000738354627 598692796 /nfs/dbraw/zinc/69/27/96/598692796.db2.gz IJTKFUIYXCQYCR-UHFFFAOYSA-N -1 1 375.385 1.589 20 0 GDADMM O=C(NCc1nn[n-]n1)c1ccccc1SCc1ccc(-c2nn[nH]n2)cc1 ZINC000738129500 598698273 /nfs/dbraw/zinc/69/82/73/598698273.db2.gz SVMQXWAJALZPNG-UHFFFAOYSA-N -1 1 393.436 1.602 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCC[S@](=O)C(C)(C)C ZINC000737200885 598767324 /nfs/dbraw/zinc/76/73/24/598767324.db2.gz NVTGDGALJUXYPL-MHZLTWQESA-N -1 1 394.501 1.180 20 0 GDADMM CC1(C)C[C@@H]1CNC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000736212374 598779509 /nfs/dbraw/zinc/77/95/09/598779509.db2.gz XAVCNQOBCFQVAS-GFCCVEGCSA-N -1 1 386.460 1.610 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCc2cncnc2C1 ZINC000737546768 598793336 /nfs/dbraw/zinc/79/33/36/598793336.db2.gz FWSIVQQFTJKDGE-UHFFFAOYSA-N -1 1 376.380 1.547 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCc2cncnc2C1 ZINC000737546768 598793337 /nfs/dbraw/zinc/79/33/37/598793337.db2.gz FWSIVQQFTJKDGE-UHFFFAOYSA-N -1 1 376.380 1.547 20 0 GDADMM CCc1cc(N2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)ncn1 ZINC000736677338 598814038 /nfs/dbraw/zinc/81/40/38/598814038.db2.gz XZOWRAROTHGVBJ-UHFFFAOYSA-N -1 1 393.411 1.794 20 0 GDADMM Cc1nc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)no1 ZINC000737473847 599294637 /nfs/dbraw/zinc/29/46/37/599294637.db2.gz HYORHJLPLPYGTD-LBPRGKRZSA-N -1 1 379.377 1.223 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCCC2(CCOCC2)C1 ZINC000823606250 599355341 /nfs/dbraw/zinc/35/53/41/599355341.db2.gz HKRMNRUWNOOULO-UHFFFAOYSA-N -1 1 381.433 1.587 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCCC2(CCOCC2)C1 ZINC000823606250 599355344 /nfs/dbraw/zinc/35/53/44/599355344.db2.gz HKRMNRUWNOOULO-UHFFFAOYSA-N -1 1 381.433 1.587 20 0 GDADMM C[C@@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)Oc1ccccc1F ZINC000820276377 599364502 /nfs/dbraw/zinc/36/45/02/599364502.db2.gz WJAPZEICESCGKU-JTQLQIEISA-N -1 1 378.389 1.147 20 0 GDADMM C[C@@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)Oc1ccccc1F ZINC000820276377 599364505 /nfs/dbraw/zinc/36/45/05/599364505.db2.gz WJAPZEICESCGKU-JTQLQIEISA-N -1 1 378.389 1.147 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCC[C@@H](O)C(F)(F)F ZINC000737547785 599389172 /nfs/dbraw/zinc/38/91/72/599389172.db2.gz KZYLMPXBEYQJTJ-SECBINFHSA-N -1 1 384.318 1.602 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCC[C@@H](O)C(F)(F)F ZINC000737547785 599389174 /nfs/dbraw/zinc/38/91/74/599389174.db2.gz KZYLMPXBEYQJTJ-SECBINFHSA-N -1 1 384.318 1.602 20 0 GDADMM Cc1ccc(OCC(=O)N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)cc1 ZINC000737365816 599422810 /nfs/dbraw/zinc/42/28/10/599422810.db2.gz ULPQDDMHYADSPO-UHFFFAOYSA-N -1 1 379.424 1.298 20 0 GDADMM Cc1ccc(OCC(=O)N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)cc1 ZINC000737365816 599422811 /nfs/dbraw/zinc/42/28/11/599422811.db2.gz ULPQDDMHYADSPO-UHFFFAOYSA-N -1 1 379.424 1.298 20 0 GDADMM C[C@@H]1CCC[C@H](NC(=O)CN2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)C1 ZINC000736260109 599433856 /nfs/dbraw/zinc/43/38/56/599433856.db2.gz LAOGAUHXTSBPIP-CABCVRRESA-N -1 1 384.488 1.079 20 0 GDADMM CCc1ccc([C@@H]2COCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)o1 ZINC000736682906 599449693 /nfs/dbraw/zinc/44/96/93/599449693.db2.gz CCWVYLKPSCAWQC-AWEZNQCLSA-N -1 1 390.425 1.179 20 0 GDADMM CCc1ccc([C@@H]2COCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)o1 ZINC000736682906 599449696 /nfs/dbraw/zinc/44/96/96/599449696.db2.gz CCWVYLKPSCAWQC-AWEZNQCLSA-N -1 1 390.425 1.179 20 0 GDADMM CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(-c3nnn[n-]3)o2)NC(=O)N1 ZINC000820641521 599492217 /nfs/dbraw/zinc/49/22/17/599492217.db2.gz CYNVTJBVUMBDFV-HNNXBMFYSA-N -1 1 380.364 1.831 20 0 GDADMM CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(-c3nn[n-]n3)o2)NC(=O)N1 ZINC000820641521 599492218 /nfs/dbraw/zinc/49/22/18/599492218.db2.gz CYNVTJBVUMBDFV-HNNXBMFYSA-N -1 1 380.364 1.831 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CCC(=O)N(C)C2)c1-c1nn[n-]n1 ZINC000737189136 599573470 /nfs/dbraw/zinc/57/34/70/599573470.db2.gz JGJMXEHGWRHWMR-SNVBAGLBSA-N -1 1 387.469 1.212 20 0 GDADMM CN(Cc1cnccn1)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000736829716 599593888 /nfs/dbraw/zinc/59/38/88/599593888.db2.gz KUGSFXQWMQXOQM-UHFFFAOYSA-N -1 1 399.358 1.496 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@H]1Cn1cccn1 ZINC000738355251 599596515 /nfs/dbraw/zinc/59/65/15/599596515.db2.gz LYFJEAHQRWFRIG-NSHDSACASA-N -1 1 377.405 1.056 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@@H](C)Cc2c(C)noc2C)cc1-c1nn[n-]n1 ZINC000737187028 599604491 /nfs/dbraw/zinc/60/44/91/599604491.db2.gz NTMXOOAPSRYAFE-ZETCQYMHSA-N -1 1 389.441 1.655 20 0 GDADMM CSCCCOC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000821961670 599654774 /nfs/dbraw/zinc/65/47/74/599654774.db2.gz MCCZXJADKMLDEV-UHFFFAOYSA-N -1 1 375.458 1.755 20 0 GDADMM CSCCCOC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000821961670 599654775 /nfs/dbraw/zinc/65/47/75/599654775.db2.gz MCCZXJADKMLDEV-UHFFFAOYSA-N -1 1 375.458 1.755 20 0 GDADMM O=C([O-])C1CCN(C(=O)CN2CCC(C(=O)Nc3cccc(F)c3)CC2)CC1 ZINC000738545119 599717012 /nfs/dbraw/zinc/71/70/12/599717012.db2.gz IDVXUFDJQOFEJY-UHFFFAOYSA-N -1 1 391.443 1.799 20 0 GDADMM COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000737687009 599781279 /nfs/dbraw/zinc/78/12/79/599781279.db2.gz BIEDPEYJJVSFSI-AWEZNQCLSA-N -1 1 396.465 1.420 20 0 GDADMM O=C([O-])C1CCN(S(=O)(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000739597600 599812801 /nfs/dbraw/zinc/81/28/01/599812801.db2.gz MDCRWAZGYHFWNC-CQSZACIVSA-N -1 1 387.527 1.516 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc3n[nH]cc3c2)c(C(=O)[O-])s1 ZINC000737680377 599813538 /nfs/dbraw/zinc/81/35/38/599813538.db2.gz IJKZOIXKPWJRBQ-UHFFFAOYSA-N -1 1 381.391 1.910 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)Nc2cccc(C(=O)OC)c2)c(C(=O)[O-])s1 ZINC000737713044 599814243 /nfs/dbraw/zinc/81/42/43/599814243.db2.gz KOSUBAUTIPQJPZ-UHFFFAOYSA-N -1 1 399.402 1.820 20 0 GDADMM COC(=O)[C@@H](NS(=O)(=O)Cc1ccc(C(=O)[O-])cc1)c1cc(F)ccc1F ZINC000737577907 599814381 /nfs/dbraw/zinc/81/43/81/599814381.db2.gz LRHVLSUWLUWJTN-HNNXBMFYSA-N -1 1 399.371 1.997 20 0 GDADMM C[C@H](O)CN1CCN(CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)C[C@@H]1C ZINC000736675499 599959865 /nfs/dbraw/zinc/95/98/65/599959865.db2.gz DQHWKZZCHNBIPZ-RYUDHWBXSA-N -1 1 381.498 1.260 20 0 GDADMM CC[C@H]1CN([C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)CC[N@H+]1CCOC ZINC000736942994 599961022 /nfs/dbraw/zinc/96/10/22/599961022.db2.gz HUDLYTLGTVDYLA-YJBOKZPZSA-N -1 1 377.485 1.432 20 0 GDADMM CC[C@H]1CN([C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)CCN1CCOC ZINC000736942994 599961023 /nfs/dbraw/zinc/96/10/23/599961023.db2.gz HUDLYTLGTVDYLA-YJBOKZPZSA-N -1 1 377.485 1.432 20 0 GDADMM CC[C@H]1CN(CCn2cccn2)CCN1CC(=O)Nc1ccccc1C(=O)[O-] ZINC000736945923 599968263 /nfs/dbraw/zinc/96/82/63/599968263.db2.gz ZNSIUVPYLUEJAO-INIZCTEOSA-N -1 1 385.468 1.616 20 0 GDADMM C[C@@H]1CN(Cc2ccc(CNC(=O)N3CCO[C@@H](C(=O)[O-])C3)cc2)C[C@@H](C)O1 ZINC000736815727 600034758 /nfs/dbraw/zinc/03/47/58/600034758.db2.gz WVAQDBQKGXYFIF-IIDMSEBBSA-N -1 1 391.468 1.291 20 0 GDADMM C[C@@H](NC(=O)N1CCO[C@@H](C(=O)[O-])C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000736644699 600040223 /nfs/dbraw/zinc/04/02/23/600040223.db2.gz CVFRYRMGBPTDMI-CXAGYDPISA-N -1 1 394.447 1.134 20 0 GDADMM COC(=O)Cc1csc(NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)n1 ZINC000737630793 600054001 /nfs/dbraw/zinc/05/40/01/600054001.db2.gz KZTZFEDAPNKSOS-UHFFFAOYSA-N -1 1 386.407 1.123 20 0 GDADMM CN1CCN(c2ccc(CNC(=O)CCc3ccc(C(=O)[O-])cc3)cn2)CC1 ZINC000737528754 600061115 /nfs/dbraw/zinc/06/11/15/600061115.db2.gz DDRNNCMTACBLRL-UHFFFAOYSA-N -1 1 382.464 1.781 20 0 GDADMM CN(C1CCN(CCn2cccn2)CC1)S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000737387167 600084383 /nfs/dbraw/zinc/08/43/83/600084383.db2.gz QFHDDPRWLXDMLR-UHFFFAOYSA-N -1 1 392.481 1.366 20 0 GDADMM CCn1cc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2C(=O)[O-])cn1 ZINC000582413471 600093702 /nfs/dbraw/zinc/09/37/02/600093702.db2.gz LLAMEAJKDSNHQZ-UHFFFAOYSA-N -1 1 380.426 1.239 20 0 GDADMM COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000737576731 600136995 /nfs/dbraw/zinc/13/69/95/600136995.db2.gz GGVOMLCVTGFEHR-CXAGYDPISA-N -1 1 387.436 1.165 20 0 GDADMM COc1cccc(NC(=O)CN(C)C(=O)CNC2(C(=O)[O-])CCCCC2)c1 ZINC000738106069 600149286 /nfs/dbraw/zinc/14/92/86/600149286.db2.gz IYDMNTNEFCAGED-UHFFFAOYSA-N -1 1 377.441 1.469 20 0 GDADMM CCC[C@@](C)(NCC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1)C(=O)[O-] ZINC000736959153 600152366 /nfs/dbraw/zinc/15/23/66/600152366.db2.gz DHECDJQENKTZQH-MAUKXSAKSA-N -1 1 388.530 1.568 20 0 GDADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000738228836 600195291 /nfs/dbraw/zinc/19/52/91/600195291.db2.gz CIKPZYUGJNDQGH-INIZCTEOSA-N -1 1 393.403 1.774 20 0 GDADMM COc1ccnc(N2CCN(S(=O)(=O)Cc3cccc(C(=O)[O-])c3)CC2)c1 ZINC000738143273 600232392 /nfs/dbraw/zinc/23/23/92/600232392.db2.gz OWJXNKYHDBGTCU-UHFFFAOYSA-N -1 1 391.449 1.440 20 0 GDADMM COC(=O)C[C@H](NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1)C(=O)[O-] ZINC000737596586 600242401 /nfs/dbraw/zinc/24/24/01/600242401.db2.gz HFQSWCHVCCUFJP-YOEHRIQHSA-N -1 1 376.453 1.462 20 0 GDADMM COC(=O)C[C@H](NC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1)C(=O)[O-] ZINC000737596580 600242430 /nfs/dbraw/zinc/24/24/30/600242430.db2.gz HFQSWCHVCCUFJP-PBHICJAKSA-N -1 1 376.453 1.462 20 0 GDADMM O=C([O-])[C@H]1CC12CCN(CC(=O)NCc1ccccc1Cn1cccn1)CC2 ZINC000739279058 600294306 /nfs/dbraw/zinc/29/43/06/600294306.db2.gz QSVOSULRXILHPC-GOSISDBHSA-N -1 1 382.464 1.734 20 0 GDADMM NC(=O)CCN(C(=O)CN1CCC2(C[C@H]2C(=O)[O-])CC1)c1ccc(F)cc1 ZINC000739156568 600296305 /nfs/dbraw/zinc/29/63/05/600296305.db2.gz FVIODMPDWVQSBR-HNNXBMFYSA-N -1 1 377.416 1.221 20 0 GDADMM Cc1cc(S(=O)(=O)Nc2ccc(CC(=O)NCC(=O)[O-])cc2)cnc1Cl ZINC000738477102 600299349 /nfs/dbraw/zinc/29/93/49/600299349.db2.gz OEPCMHAEBHKAMM-UHFFFAOYSA-N -1 1 397.840 1.588 20 0 GDADMM O=C([O-])[C@@H]1CC12CCN(CC(=O)NCCc1cnn(-c3ccccc3)c1)CC2 ZINC000739277833 600302017 /nfs/dbraw/zinc/30/20/17/600302017.db2.gz IKNGOKSWLQBUIQ-SFHVURJKSA-N -1 1 382.464 1.718 20 0 GDADMM CCC[C@@](C)(NCC(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1)C(=O)[O-] ZINC000736960808 600323098 /nfs/dbraw/zinc/32/30/98/600323098.db2.gz QJVOWLXORJASHL-FOIQADDNSA-N -1 1 381.517 1.717 20 0 GDADMM O=C([O-])COc1cccc(NC(=O)C(=O)NCc2n[nH]c(-c3ccccc3)n2)c1 ZINC000738616254 600341208 /nfs/dbraw/zinc/34/12/08/600341208.db2.gz NAOFECXEDGFKSJ-UHFFFAOYSA-N -1 1 395.375 1.190 20 0 GDADMM O=C([O-])COc1cccc(NC(=O)C(=O)NCc2nc(-c3ccccc3)n[nH]2)c1 ZINC000738616254 600341212 /nfs/dbraw/zinc/34/12/12/600341212.db2.gz NAOFECXEDGFKSJ-UHFFFAOYSA-N -1 1 395.375 1.190 20 0 GDADMM O=C([O-])Cc1ccc(NC(=O)C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)cc1 ZINC000739876269 600349434 /nfs/dbraw/zinc/34/94/34/600349434.db2.gz CNYRLZVOMYJHKY-UHFFFAOYSA-N -1 1 397.366 1.493 20 0 GDADMM O=C([O-])Cc1ccc(NC(=O)C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)cc1 ZINC000739876269 600349438 /nfs/dbraw/zinc/34/94/38/600349438.db2.gz CNYRLZVOMYJHKY-UHFFFAOYSA-N -1 1 397.366 1.493 20 0 GDADMM C[C@H](CN(C)CC(=O)Nc1ccccc1I)C(=O)[O-] ZINC000042705791 600369459 /nfs/dbraw/zinc/36/94/59/600369459.db2.gz WPZSANAIPMFVPT-SECBINFHSA-N -1 1 376.194 1.882 20 0 GDADMM Cc1cc(-c2nn[nH]n2)ccc1COC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000826253831 607445047 /nfs/dbraw/zinc/44/50/47/607445047.db2.gz GPGFCMFJLPYUGZ-UHFFFAOYSA-N -1 1 393.407 1.826 20 0 GDADMM CCN(CC(=O)NCc1cccs1)C(=O)CNC1(C(=O)[O-])CCCCC1 ZINC000737068684 600459986 /nfs/dbraw/zinc/45/99/86/600459986.db2.gz ANDOOLFNTHGIHY-UHFFFAOYSA-N -1 1 381.498 1.590 20 0 GDADMM Cc1nn(C)c(C)c1-c1cc(C(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)n[nH]1 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UKLFDMCQJSVYPS-RDJZCZTQSA-N -1 1 398.515 1.074 20 0 GDADMM Cc1nc(C(=O)Nc2ccccc2CC(=O)[O-])nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000486050297 601730139 /nfs/dbraw/zinc/73/01/39/601730139.db2.gz CPZKFAGIRYFJIK-UHFFFAOYSA-N -1 1 395.301 1.592 20 0 GDADMM CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CN2C[C@H](C(=O)[O-])[C@H](C)C2)C1=O ZINC000829070083 601820781 /nfs/dbraw/zinc/82/07/81/601820781.db2.gz XXRXJINYVZWSAN-XFHNUULXSA-N -1 1 375.425 1.462 20 0 GDADMM Cc1ccccc1-c1nnc(S(=O)(=O)Cc2ccnc(-c3nnn[n-]3)c2)n1C ZINC000826305106 607530926 /nfs/dbraw/zinc/53/09/26/607530926.db2.gz KSRASUXJURCNCB-UHFFFAOYSA-N -1 1 396.436 1.340 20 0 GDADMM Cc1ccccc1-c1nnc(S(=O)(=O)Cc2ccnc(-c3nn[n-]n3)c2)n1C ZINC000826305106 607530927 /nfs/dbraw/zinc/53/09/27/607530927.db2.gz KSRASUXJURCNCB-UHFFFAOYSA-N -1 1 396.436 1.340 20 0 GDADMM O=C([O-])N1CCN(CC(=O)Nc2cccc(CN3CCSCC3)c2)CC1 ZINC000739290023 601922235 /nfs/dbraw/zinc/92/22/35/601922235.db2.gz NDXAWLCHRCGGHZ-UHFFFAOYSA-N -1 1 378.498 1.470 20 0 GDADMM C[C@H](c1ccccc1)N1CCN(C(=O)CN2CCSC[C@@H]2CC(=O)[O-])CC1 ZINC000827951275 601926924 /nfs/dbraw/zinc/92/69/24/601926924.db2.gz WSQPLGUOZCYETA-AEFFLSMTSA-N -1 1 391.537 1.784 20 0 GDADMM O=C([O-])NC[C@@H]1CCN(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000740644097 601942397 /nfs/dbraw/zinc/94/23/97/601942397.db2.gz WZAYIMPEEZECFP-AWEZNQCLSA-N -1 1 380.876 1.578 20 0 GDADMM COc1cc2c(cc1OC)CN(C(=O)CN1CC[C@@H](CNC(=O)[O-])C1)CC2 ZINC000739874700 601954831 /nfs/dbraw/zinc/95/48/31/601954831.db2.gz YDPAOAXOLVFDQX-ZDUSSCGKSA-N -1 1 377.441 1.178 20 0 GDADMM CCN(C[C@H]1COc2ccccc2O1)C(=O)CN1CC[C@@H](CNC(=O)[O-])C1 ZINC000739415427 601954956 /nfs/dbraw/zinc/95/49/56/601954956.db2.gz QHEOVJWOJRVGFM-GJZGRUSLSA-N -1 1 377.441 1.264 20 0 GDADMM CN(C(=O)[O-])[C@H]1CCCN(CC(=O)NCC2(N3CCOCC3)CCCCC2)C1 ZINC000739586675 601966014 /nfs/dbraw/zinc/96/60/14/601966014.db2.gz UHBRAWCBBPILQD-KRWDZBQOSA-N -1 1 396.532 1.212 20 0 GDADMM C[C@@H](c1cn(-c2ccccc2)nn1)S(=O)(=O)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000824777548 607537197 /nfs/dbraw/zinc/53/71/97/607537197.db2.gz JRTPDLODUSCWJM-LBPRGKRZSA-N -1 1 396.436 1.518 20 0 GDADMM C[C@@H](c1cn(-c2ccccc2)nn1)S(=O)(=O)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000824777548 607537198 /nfs/dbraw/zinc/53/71/98/607537198.db2.gz JRTPDLODUSCWJM-LBPRGKRZSA-N -1 1 396.436 1.518 20 0 GDADMM CN1CCN(c2ccc(CNC(=O)NCC3CCN(C(=O)[O-])CC3)cn2)CC1 ZINC000739737556 602009458 /nfs/dbraw/zinc/00/94/58/602009458.db2.gz ZAMYGIHZFQEXDD-UHFFFAOYSA-N -1 1 390.488 1.023 20 0 GDADMM COc1cccc([C@H](CNC(=O)NCC2CCN(C(=O)[O-])CC2)N(C)C)c1 ZINC000739946401 602062056 /nfs/dbraw/zinc/06/20/56/602062056.db2.gz UNBWPYNMKAXTNO-KRWDZBQOSA-N -1 1 378.473 1.987 20 0 GDADMM COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)N2CCC[C@@H]2CN(C)C)c1OC ZINC000831972229 602140182 /nfs/dbraw/zinc/14/01/82/602140182.db2.gz HEAOIZDONUYORL-HSBSLETESA-N -1 1 398.481 1.516 20 0 GDADMM CN1CCN(C[C@@H](NC(=O)N2CCC[C@@H](NC(=O)[O-])C2)c2ccccc2)CC1 ZINC000738013778 602225903 /nfs/dbraw/zinc/22/59/03/602225903.db2.gz SYWREBHWLHOQGX-QZTJIDSGSA-N -1 1 389.500 1.417 20 0 GDADMM C[C@H](NC(=O)[O-])[C@@H]1CCCCN1CC(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC000739011182 602261491 /nfs/dbraw/zinc/26/14/91/602261491.db2.gz PEIOVZGRRLPRBK-RDJZCZTQSA-N -1 1 394.516 1.358 20 0 GDADMM C[C@H](NC(=O)[O-])[C@@H]1CCCCN1CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000739011732 602266345 /nfs/dbraw/zinc/26/63/45/602266345.db2.gz QYJQVWVAILCIQX-GJZGRUSLSA-N -1 1 392.456 1.075 20 0 GDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cccc(F)c1I ZINC000826395932 607562881 /nfs/dbraw/zinc/56/28/81/607562881.db2.gz ZHIRYULWMMLAJA-UHFFFAOYSA-N -1 1 399.127 1.078 20 0 GDADMM CCCN(CC(=O)NC[C@H]1COc2ccccc2O1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739352613 602545054 /nfs/dbraw/zinc/54/50/54/602545054.db2.gz DROAVXWJAFYEGY-CABCVRRESA-N -1 1 377.441 1.407 20 0 GDADMM CN1CCN(C[C@@H](NC(=O)N[C@H]2CCN(C(=O)[O-])C2)c2ccccc2)CC1 ZINC000739737242 602585921 /nfs/dbraw/zinc/58/59/21/602585921.db2.gz LWBFYKUQMGMQOU-DLBZAZTESA-N -1 1 375.473 1.027 20 0 GDADMM CN1CCN(C(C)(C)CNC(=O)N[C@@H](CNC(=O)[O-])C2CCCCC2)CC1 ZINC000739735909 602614378 /nfs/dbraw/zinc/61/43/78/602614378.db2.gz WGDQBLXLWFVGCP-INIZCTEOSA-N -1 1 383.537 1.528 20 0 GDADMM CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N[C@@H]3CCN(C(=O)[O-])C3)c2C1 ZINC000738767215 602647194 /nfs/dbraw/zinc/64/71/94/602647194.db2.gz ONKRZVWWKVKNAZ-DZGCQCFKSA-N -1 1 388.468 1.854 20 0 GDADMM O=C([O-])Nc1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000740717533 602653903 /nfs/dbraw/zinc/65/39/03/602653903.db2.gz XFNHMIPMNWYYMM-UHFFFAOYSA-N -1 1 376.350 1.107 20 0 GDADMM CNC(=O)c1cc(S(=O)(=O)Nc2cccc(CN(C)C(=O)[O-])c2)cn1C ZINC000739747092 602655749 /nfs/dbraw/zinc/65/57/49/602655749.db2.gz ZJCDYWQGSUMYGS-UHFFFAOYSA-N -1 1 380.426 1.295 20 0 GDADMM CCOC(=O)c1cnn(C)c1NC(=O)CN(C1CC1)C1CCN(C(=O)[O-])CC1 ZINC000739481771 602693838 /nfs/dbraw/zinc/69/38/38/602693838.db2.gz ASOBEIYCWMNYFB-UHFFFAOYSA-N -1 1 393.444 1.142 20 0 GDADMM CCCN(C(=O)c1ccnc(N2CCN(C)CC2)c1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739346436 602712589 /nfs/dbraw/zinc/71/25/89/602712589.db2.gz QOBLCBYAVSFXDY-INIZCTEOSA-N -1 1 375.473 1.438 20 0 GDADMM O=C1CCc2cc(OS(=O)(=O)c3ccc(F)cc3-c3nnn[n-]3)ccc2N1 ZINC000826480456 607582576 /nfs/dbraw/zinc/58/25/76/607582576.db2.gz CCIYVDHTGUBDJJ-UHFFFAOYSA-N -1 1 389.368 1.658 20 0 GDADMM O=C1CCc2cc(OS(=O)(=O)c3ccc(F)cc3-c3nn[n-]n3)ccc2N1 ZINC000826480456 607582577 /nfs/dbraw/zinc/58/25/77/607582577.db2.gz CCIYVDHTGUBDJJ-UHFFFAOYSA-N -1 1 389.368 1.658 20 0 GDADMM C[C@@H]1CN(C(=O)[O-])CCN1CC(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000739161190 602737420 /nfs/dbraw/zinc/73/74/20/602737420.db2.gz OKQONEMHTIORJF-OAHLLOKOSA-N -1 1 392.525 1.858 20 0 GDADMM COCCN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826159858 607585307 /nfs/dbraw/zinc/58/53/07/607585307.db2.gz VFGWPWBGCAUFKM-UHFFFAOYSA-N -1 1 397.844 1.950 20 0 GDADMM O=C([O-])NCCNC(=O)[C@@H]1CCCN([C@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000740658678 602782613 /nfs/dbraw/zinc/78/26/13/602782613.db2.gz FBOPCJNWHLFABM-WBVHZDCISA-N -1 1 388.468 1.278 20 0 GDADMM Cc1cc([C@H]2CCCN2S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)on1 ZINC000826265595 607588858 /nfs/dbraw/zinc/58/88/58/607588858.db2.gz GOBWBFZYFUXNRX-LLVKDONJSA-N -1 1 378.389 1.828 20 0 GDADMM Cc1cc([C@H]2CCCN2S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)on1 ZINC000826265595 607588860 /nfs/dbraw/zinc/58/88/60/607588860.db2.gz GOBWBFZYFUXNRX-LLVKDONJSA-N -1 1 378.389 1.828 20 0 GDADMM COc1ccc(CN2CCCN(C(=O)[C@H]3COCCN3C(=O)[O-])CC2)cc1 ZINC000739901981 602837199 /nfs/dbraw/zinc/83/71/99/602837199.db2.gz CTRMPUQSSSZQDX-QGZVFWFLSA-N -1 1 377.441 1.108 20 0 GDADMM C[C@@H](COc1ccccc1)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824449284 607591458 /nfs/dbraw/zinc/59/14/58/607591458.db2.gz NGGTVHWJSQGRFX-NSHDSACASA-N -1 1 377.401 1.752 20 0 GDADMM COc1ccccc1[C@H](NC(=O)[O-])C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000739968689 602887711 /nfs/dbraw/zinc/88/77/11/602887711.db2.gz VIAPEBPDNIBSSM-CPUCHLNUSA-N -1 1 379.457 1.619 20 0 GDADMM CCCOc1ncccc1CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825342529 607598716 /nfs/dbraw/zinc/59/87/16/607598716.db2.gz UJXZRVKIKIYOPR-UHFFFAOYSA-N -1 1 392.416 1.668 20 0 GDADMM CCCOc1ncccc1CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825342529 607598718 /nfs/dbraw/zinc/59/87/18/607598718.db2.gz UJXZRVKIKIYOPR-UHFFFAOYSA-N -1 1 392.416 1.668 20 0 GDADMM CN1CCN(c2cc(C(=O)N[C@@H]3CCCC[C@H]3CNC(=O)[O-])ccn2)CC1 ZINC000739736567 602988601 /nfs/dbraw/zinc/98/86/01/602988601.db2.gz NCOKXXRKSASGFP-JKSUJKDBSA-N -1 1 375.473 1.390 20 0 GDADMM O=S(=O)(N[C@H]1C[C@H]1c1cccc(F)c1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826488387 607599449 /nfs/dbraw/zinc/59/94/49/607599449.db2.gz ONLVDOIGHCNBTM-AAEUAGOBSA-N -1 1 377.376 1.979 20 0 GDADMM O=S(=O)(N[C@H]1C[C@H]1c1cccc(F)c1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826488387 607599450 /nfs/dbraw/zinc/59/94/50/607599450.db2.gz ONLVDOIGHCNBTM-AAEUAGOBSA-N -1 1 377.376 1.979 20 0 GDADMM O=C([O-])N1CCC2(CC1)NC(=O)N(CN1CC[C@@H](Cc3ccccc3)C1)C2=O ZINC000740509330 603052457 /nfs/dbraw/zinc/05/24/57/603052457.db2.gz QAFMKQZWVDFLGX-INIZCTEOSA-N -1 1 386.452 1.573 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H](O)c1ccc(Br)cc1 ZINC000826467229 607607614 /nfs/dbraw/zinc/60/76/14/607607614.db2.gz MPADTVVXXGGVCS-CYBMUJFWSA-N -1 1 390.197 1.801 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H](O)c1ccc(Br)cc1 ZINC000826467229 607607617 /nfs/dbraw/zinc/60/76/17/607607617.db2.gz MPADTVVXXGGVCS-CYBMUJFWSA-N -1 1 390.197 1.801 20 0 GDADMM O=C([O-])N[C@H]1CCC[C@H](C(=O)NCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000740572218 603155512 /nfs/dbraw/zinc/15/55/12/603155512.db2.gz VVCBCNKUTRYDQC-OALUTQOASA-N -1 1 388.512 1.747 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc3c(c2)[nH]c(=S)n(C)c3=O)CC[C@H]1NC(=O)[O-] ZINC000739164908 603363909 /nfs/dbraw/zinc/36/39/09/603363909.db2.gz FHOHRPKZZJSWKA-JOYOIKCWSA-N -1 1 376.438 1.340 20 0 GDADMM CN1CCN(c2ccccc2NC(=O)N[C@@H]2CCC[C@@H]2CNC(=O)[O-])CC1 ZINC000739736362 603369673 /nfs/dbraw/zinc/36/96/73/603369673.db2.gz KXDJDTHBSUIWLC-HUUCEWRRSA-N -1 1 375.473 1.996 20 0 GDADMM O=S(=O)(NC[C@@H](O)c1cccc(Cl)c1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826489732 607625686 /nfs/dbraw/zinc/62/56/86/607625686.db2.gz YCAXEUAERCEOER-CYBMUJFWSA-N -1 1 397.819 1.671 20 0 GDADMM CCS(=O)(=O)c1ccc(O)c(NC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])c1 ZINC000827490112 603433300 /nfs/dbraw/zinc/43/33/00/603433300.db2.gz TZWHRUSOCDNILC-NSHDSACASA-N -1 1 386.426 1.283 20 0 GDADMM CN(CC(=O)Nc1cccc(CN2CCSCC2)c1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828114036 603531777 /nfs/dbraw/zinc/53/17/77/603531777.db2.gz ALDWBSSMDQBIKS-QGZVFWFLSA-N -1 1 392.525 1.858 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000826496251 607635212 /nfs/dbraw/zinc/63/52/12/607635212.db2.gz PUCHCYGFQXIWPH-KWQFWETISA-N -1 1 395.338 1.082 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000826496251 607635214 /nfs/dbraw/zinc/63/52/14/607635214.db2.gz PUCHCYGFQXIWPH-KWQFWETISA-N -1 1 395.338 1.082 20 0 GDADMM O=C([O-])N[C@@H](CNC(=O)N1CCN(C2CCOCC2)CC1)c1ccccc1 ZINC000832127927 603534544 /nfs/dbraw/zinc/53/45/44/603534544.db2.gz KEJQUEHNDKELRB-KRWDZBQOSA-N -1 1 376.457 1.502 20 0 GDADMM CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N1CCC(CNC(=O)[O-])CC1 ZINC000828042353 603562162 /nfs/dbraw/zinc/56/21/62/603562162.db2.gz ALSRFMHZIQSRAV-UHFFFAOYSA-N -1 1 377.445 1.359 20 0 GDADMM O=C([O-])NC[C@@H]1CCCC[C@]12NC(=O)N(CN1CCC[C@@H]1C1CCC1)C2=O ZINC000832498749 603600739 /nfs/dbraw/zinc/60/07/39/603600739.db2.gz KYEKSTBDCTVJGR-KHYOSLBOSA-N -1 1 378.473 1.957 20 0 GDADMM Cc1oc(NC(=O)CN2CCCc3c(C(N)=O)cccc32)c(-c2nn[n-]n2)c1C ZINC000826341546 607643224 /nfs/dbraw/zinc/64/32/24/607643224.db2.gz KENYNBSKVGKDOD-UHFFFAOYSA-N -1 1 395.423 1.567 20 0 GDADMM C[C@@H]1CN(CCCNC(=O)NC[C@H](NC(=O)[O-])c2ccccc2)C[C@H](C)O1 ZINC000826056710 603686231 /nfs/dbraw/zinc/68/62/31/603686231.db2.gz FEZWEZGNYNNXCP-UXLLHSPISA-N -1 1 378.473 1.794 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccc3c(c2)[nH]c(=S)n(C)c3=O)[C@H]1CNC(=O)[O-] ZINC000825918542 603693235 /nfs/dbraw/zinc/69/32/35/603693235.db2.gz GHQNHKLCHURDHT-HZMBPMFUSA-N -1 1 390.465 1.731 20 0 GDADMM Cc1nc([C@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)no1 ZINC000826324905 607653184 /nfs/dbraw/zinc/65/31/84/607653184.db2.gz IDHXMWSVQXVUII-SNVBAGLBSA-N -1 1 395.832 1.737 20 0 GDADMM Cc1nc([C@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)no1 ZINC000826324905 607653185 /nfs/dbraw/zinc/65/31/85/607653185.db2.gz IDHXMWSVQXVUII-SNVBAGLBSA-N -1 1 395.832 1.737 20 0 GDADMM Cc1nn(C)c(C)c1C[C@@H](C)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826333888 607649717 /nfs/dbraw/zinc/64/97/17/607649717.db2.gz YRDWJRJKUNYQHM-SECBINFHSA-N -1 1 393.448 1.266 20 0 GDADMM Cc1nn(C)c(C)c1C[C@@H](C)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826333888 607649719 /nfs/dbraw/zinc/64/97/19/607649719.db2.gz YRDWJRJKUNYQHM-SECBINFHSA-N -1 1 393.448 1.266 20 0 GDADMM CC(=O)N(C)c1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000823967127 607650064 /nfs/dbraw/zinc/65/00/64/607650064.db2.gz IXGKBIZYDNABEL-UHFFFAOYSA-N -1 1 391.384 1.756 20 0 GDADMM CC(=O)N(C)c1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000823967127 607650065 /nfs/dbraw/zinc/65/00/65/607650065.db2.gz IXGKBIZYDNABEL-UHFFFAOYSA-N -1 1 391.384 1.756 20 0 GDADMM CC(C)[C@H](CCO)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824193554 607650439 /nfs/dbraw/zinc/65/04/39/607650439.db2.gz ZRUKNFYAWUHGOK-NSHDSACASA-N -1 1 393.391 1.571 20 0 GDADMM O=C([O-])NC[C@H]1CCCC[C@@H]1NC(=O)CCN1CCN(c2ccccn2)CC1 ZINC000832499143 603848807 /nfs/dbraw/zinc/84/88/07/603848807.db2.gz OKAWJHNRNYBQHH-SJORKVTESA-N -1 1 389.500 1.536 20 0 GDADMM CCCc1nnc([C@@H]2CN(C(=O)[C@@H]3[C@@H](C)OC(C)(C)N3C(=O)[O-])CCO2)[nH]1 ZINC000826953107 603861080 /nfs/dbraw/zinc/86/10/80/603861080.db2.gz CDJZUWFCRLPWIF-MDZLAQPJSA-N -1 1 381.433 1.161 20 0 GDADMM CCCc1n[nH]c([C@@H]2CN(C(=O)[C@@H]3[C@@H](C)OC(C)(C)N3C(=O)[O-])CCO2)n1 ZINC000826953107 603861083 /nfs/dbraw/zinc/86/10/83/603861083.db2.gz CDJZUWFCRLPWIF-MDZLAQPJSA-N -1 1 381.433 1.161 20 0 GDADMM CCCC[C@@H](CNC(=O)[O-])NC(=O)N1CCN(c2cc(OC)ccn2)CC1 ZINC000826794397 603889401 /nfs/dbraw/zinc/88/94/01/603889401.db2.gz 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/nfs/dbraw/zinc/16/31/77/605163177.db2.gz IRNLNOSDTCTTQI-GUYCJALGSA-N -1 1 395.887 1.915 20 0 GDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H]1CC(c2c(F)cccc2F)=NO1 ZINC000833619924 605168736 /nfs/dbraw/zinc/16/87/36/605168736.db2.gz JHFGDUGSFXRTQJ-NHYWBVRUSA-N -1 1 381.379 1.465 20 0 GDADMM COc1c(NS(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])cccc1C(N)=O ZINC000833727489 605169508 /nfs/dbraw/zinc/16/95/08/605169508.db2.gz XYRDJARPNNEVMY-UHFFFAOYSA-N -1 1 384.797 1.947 20 0 GDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000833618303 605208037 /nfs/dbraw/zinc/20/80/37/605208037.db2.gz AHIJOSXSMLXFIF-HOTGVXAUSA-N -1 1 394.516 1.358 20 0 GDADMM C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CCN1CCC(=O)[O-] ZINC000833617328 605251672 /nfs/dbraw/zinc/25/16/72/605251672.db2.gz CCGJRUXMUVJPGY-UONOGXRCSA-N -1 1 393.871 1.700 20 0 GDADMM C[C@@H]1CN(C(=O)[C@@H](c2ccccc2F)N2CCOCC2)CCN1CCC(=O)[O-] ZINC000833618787 605254244 /nfs/dbraw/zinc/25/42/44/605254244.db2.gz QSLCCENLZAEFSA-DNVCBOLYSA-N -1 1 393.459 1.206 20 0 GDADMM C[C@H]1CN(C(=O)c2cccc(NC(=O)c3cccnc3)c2)CCN1CCC(=O)[O-] ZINC000833619653 605257014 /nfs/dbraw/zinc/25/70/14/605257014.db2.gz DGJBCZRDWHGDFZ-HNNXBMFYSA-N -1 1 396.447 1.955 20 0 GDADMM CC(C)COC(=O)N1CCC(C(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)CC1 ZINC000833488570 605278025 /nfs/dbraw/zinc/27/80/25/605278025.db2.gz AVKKWHVQGNUBDD-OAHLLOKOSA-N -1 1 383.489 1.498 20 0 GDADMM C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c2cccnc2O1 ZINC000824991593 607747872 /nfs/dbraw/zinc/74/78/72/607747872.db2.gz CQSQLZPLPVKXCN-SECBINFHSA-N -1 1 376.373 1.377 20 0 GDADMM O=S(=O)(NC[C@@]1(O)CCc2ccccc21)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826490180 607748158 /nfs/dbraw/zinc/74/81/58/607748158.db2.gz MABYDPRWQGRJLJ-KRWDZBQOSA-N -1 1 389.412 1.118 20 0 GDADMM CC(C)n1nnnc1-c1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000541306711 605331847 /nfs/dbraw/zinc/33/18/47/605331847.db2.gz NDIIFQKTEKOSMY-UHFFFAOYSA-N -1 1 390.425 1.759 20 0 GDADMM O=C([O-])N1CCC[C@@H]1C(=O)NC[C@H]1CCCN(Cc2cnc3ccccn23)C1 ZINC000834031436 605520421 /nfs/dbraw/zinc/52/04/21/605520421.db2.gz ZHIZFNQTWZFYJA-NVXWUHKLSA-N -1 1 385.468 1.805 20 0 GDADMM O=C([O-])N1CCC(NC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000831598308 605566682 /nfs/dbraw/zinc/56/66/82/605566682.db2.gz FFMZKNZFRAUICQ-SJLPKXTDSA-N -1 1 390.484 1.311 20 0 GDADMM O=C(NC[C@H](O)[C@@H]1CCCO1)c1c([O-])cnc2c(Br)cccc21 ZINC000529776623 649959781 /nfs/dbraw/zinc/95/97/81/649959781.db2.gz YBFIFOATTOLWFA-AAEUAGOBSA-N -1 1 381.226 1.973 20 0 GDADMM O=C([O-])Nc1ccccc1C(=O)OCC1=Nc2ccccc2S(=O)(=O)N1 ZINC000740057540 605724271 /nfs/dbraw/zinc/72/42/71/605724271.db2.gz XXUTXQUCRRVESC-UHFFFAOYSA-N -1 1 375.362 1.955 20 0 GDADMM N=C(NOCc1nnc(-c2ccccc2Cl)o1)[C@H]1COCCN1C(=O)[O-] ZINC000833981094 605733038 /nfs/dbraw/zinc/73/30/38/605733038.db2.gz RPVVWYRYOLHXAB-LLVKDONJSA-N -1 1 381.776 1.767 20 0 GDADMM O=C([O-])N1CC[C@@H](N(C(=O)CCNC(=O)c2n[nH]c3ccccc32)C2CC2)C1 ZINC000831659601 605795562 /nfs/dbraw/zinc/79/55/62/605795562.db2.gz KUJGWACTVHUPIL-CYBMUJFWSA-N -1 1 385.424 1.426 20 0 GDADMM C[C@@H]1C[C@@H](CNC(=O)[O-])CN1CC(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000833827919 605895468 /nfs/dbraw/zinc/89/54/68/605895468.db2.gz CIGOREHSJRQUEE-WBVHZDCISA-N -1 1 385.468 1.509 20 0 GDADMM C[C@@H]1C[C@@H](CNC(=O)[O-])CN1CC(=O)NCCc1nc2ccccc2s1 ZINC000833827867 605906838 /nfs/dbraw/zinc/90/68/38/605906838.db2.gz CETUBMJACXLIPC-OLZOCXBDSA-N -1 1 376.482 1.933 20 0 GDADMM Cn1c(=O)cc(CN[C@H](CNC(=O)[O-])c2ccc3ccccc3c2)n(C)c1=O ZINC000833942361 605973767 /nfs/dbraw/zinc/97/37/67/605973767.db2.gz YZONVCZLTMAQRZ-QGZVFWFLSA-N -1 1 382.420 1.336 20 0 GDADMM CC[C@H](NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)C1CCOCC1 ZINC000820914564 606029384 /nfs/dbraw/zinc/02/93/84/606029384.db2.gz PAXLATKMVTWSDV-HNNXBMFYSA-N -1 1 388.472 1.838 20 0 GDADMM CCO[C@H](CCNC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)C(C)C ZINC000821350746 606052679 /nfs/dbraw/zinc/05/26/79/606052679.db2.gz CIHCTNVRHMZKAM-GFCCVEGCSA-N -1 1 380.474 1.870 20 0 GDADMM O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000823154822 606121197 /nfs/dbraw/zinc/12/11/97/606121197.db2.gz KXSRMMXVBGULHZ-CQSZACIVSA-N -1 1 383.799 1.450 20 0 GDADMM O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000823154822 606121199 /nfs/dbraw/zinc/12/11/99/606121199.db2.gz KXSRMMXVBGULHZ-CQSZACIVSA-N -1 1 383.799 1.450 20 0 GDADMM O=C(COC(=O)c1cc[nH]c1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000823027357 606149259 /nfs/dbraw/zinc/14/92/59/606149259.db2.gz SAUOZCWUSFAREY-UHFFFAOYSA-N -1 1 378.352 1.176 20 0 GDADMM O=C(COC(=O)c1cc[nH]c1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000823027357 606149261 /nfs/dbraw/zinc/14/92/61/606149261.db2.gz SAUOZCWUSFAREY-UHFFFAOYSA-N -1 1 378.352 1.176 20 0 GDADMM CCCN(CC(C)(C)O)C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821094913 606153434 /nfs/dbraw/zinc/15/34/34/606153434.db2.gz UCRMMAKSQUQOSN-UHFFFAOYSA-N -1 1 376.461 1.526 20 0 GDADMM CC(C)[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc2c(c1)OCCO2 ZINC000820026340 606156379 /nfs/dbraw/zinc/15/63/79/606156379.db2.gz IKSQHNQYVQQSJY-OAHLLOKOSA-N -1 1 398.427 1.890 20 0 GDADMM CC(C)[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc2c(c1)OCCO2 ZINC000820026340 606156381 /nfs/dbraw/zinc/15/63/81/606156381.db2.gz IKSQHNQYVQQSJY-OAHLLOKOSA-N -1 1 398.427 1.890 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2cc(Cl)c3c(c2)OCCO3)n1 ZINC000822620461 606159999 /nfs/dbraw/zinc/15/99/99/606159999.db2.gz RNURDGPKUTYDKC-UHFFFAOYSA-N -1 1 390.791 1.347 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2cc(Cl)c3c(c2)OCCO3)n1 ZINC000822620461 606160001 /nfs/dbraw/zinc/16/00/01/606160001.db2.gz RNURDGPKUTYDKC-UHFFFAOYSA-N -1 1 390.791 1.347 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N(Cc2cccs2)C[C@@H]2CCCO2)n1 ZINC000822604962 606160393 /nfs/dbraw/zinc/16/03/93/606160393.db2.gz RXIFBKFOEDAHIT-NSHDSACASA-N -1 1 388.457 1.875 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N(Cc2cccs2)C[C@@H]2CCCO2)n1 ZINC000822604962 606160395 /nfs/dbraw/zinc/16/03/95/606160395.db2.gz RXIFBKFOEDAHIT-NSHDSACASA-N -1 1 388.457 1.875 20 0 GDADMM CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC1 ZINC000820017473 606163172 /nfs/dbraw/zinc/16/31/72/606163172.db2.gz XRZWFPDLQUTBGQ-LLVKDONJSA-N -1 1 389.464 1.005 20 0 GDADMM CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC1 ZINC000820017473 606163173 /nfs/dbraw/zinc/16/31/73/606163173.db2.gz XRZWFPDLQUTBGQ-LLVKDONJSA-N -1 1 389.464 1.005 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CC[C@@H](COCc3ccccc3)C2)n1 ZINC000822609651 606163378 /nfs/dbraw/zinc/16/33/78/606163378.db2.gz SYNUUWDSJCAOHQ-CQSZACIVSA-N -1 1 382.428 1.671 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CC[C@@H](COCc3ccccc3)C2)n1 ZINC000822609651 606163380 /nfs/dbraw/zinc/16/33/80/606163380.db2.gz SYNUUWDSJCAOHQ-CQSZACIVSA-N -1 1 382.428 1.671 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCNc2ccc3ccccc3n2)n1 ZINC000822619877 606164430 /nfs/dbraw/zinc/16/44/30/606164430.db2.gz JGZZAEHRNHCGHV-UHFFFAOYSA-N -1 1 378.400 1.382 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCNc2ccc3ccccc3n2)n1 ZINC000822619877 606164432 /nfs/dbraw/zinc/16/44/32/606164432.db2.gz JGZZAEHRNHCGHV-UHFFFAOYSA-N -1 1 378.400 1.382 20 0 GDADMM Cc1ccc2[nH]c3c(c2c1)CN(C(=O)Nc1nn(C)cc1-c1nnn[n-]1)CC3 ZINC000822274782 606166678 /nfs/dbraw/zinc/16/66/78/606166678.db2.gz JBPXQWWUVAPTHA-UHFFFAOYSA-N -1 1 377.412 1.980 20 0 GDADMM Cc1ccc2[nH]c3c(c2c1)CN(C(=O)Nc1nn(C)cc1-c1nn[n-]n1)CC3 ZINC000822274782 606166679 /nfs/dbraw/zinc/16/66/79/606166679.db2.gz JBPXQWWUVAPTHA-UHFFFAOYSA-N -1 1 377.412 1.980 20 0 GDADMM CC(C)=C(C)C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000820005447 606192496 /nfs/dbraw/zinc/19/24/96/606192496.db2.gz RADYAUCGMFSEOE-UHFFFAOYSA-N -1 1 381.396 1.890 20 0 GDADMM CC(C)=C(C)C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000820005447 606192498 /nfs/dbraw/zinc/19/24/98/606192498.db2.gz RADYAUCGMFSEOE-UHFFFAOYSA-N -1 1 381.396 1.890 20 0 GDADMM Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000822497004 606195571 /nfs/dbraw/zinc/19/55/71/606195571.db2.gz WDPFZCFFUAYGPZ-JTQLQIEISA-N -1 1 390.839 1.665 20 0 GDADMM Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000822497004 606195572 /nfs/dbraw/zinc/19/55/72/606195572.db2.gz WDPFZCFFUAYGPZ-JTQLQIEISA-N -1 1 390.839 1.665 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@H]2C[C@H](O)c2cccs2)n1 ZINC000822609324 606195797 /nfs/dbraw/zinc/19/57/97/606195797.db2.gz MHSJPVQIGPDGLU-JQWIXIFHSA-N -1 1 388.457 1.782 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@H]2C[C@H](O)c2cccs2)n1 ZINC000822609324 606195798 /nfs/dbraw/zinc/19/57/98/606195798.db2.gz MHSJPVQIGPDGLU-JQWIXIFHSA-N -1 1 388.457 1.782 20 0 GDADMM O=C(CCCNC(=O)NC1CCCCC1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822959290 606195862 /nfs/dbraw/zinc/19/58/62/606195862.db2.gz XAMKUHVTHGMSDM-UHFFFAOYSA-N -1 1 387.444 1.923 20 0 GDADMM O=C(CCC(=O)N1CCc2sccc2C1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822946195 606195866 /nfs/dbraw/zinc/19/58/66/606195866.db2.gz WZTLVHVLIKXKBT-UHFFFAOYSA-N -1 1 398.448 1.937 20 0 GDADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2cccc(-c3nn[nH]n3)c2)o1 ZINC000821343825 606201669 /nfs/dbraw/zinc/20/16/69/606201669.db2.gz VFFJQUYLAVGOJU-JTQLQIEISA-N -1 1 391.409 1.676 20 0 GDADMM CCN(CC)C(=O)N1CCC(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CC1 ZINC000821175693 606292689 /nfs/dbraw/zinc/29/26/89/606292689.db2.gz STYYSAADAQQHBF-UHFFFAOYSA-N -1 1 387.444 1.685 20 0 GDADMM Cc1c(CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])nnn1-c1ccccc1 ZINC000822026971 606292759 /nfs/dbraw/zinc/29/27/59/606292759.db2.gz BRTDZPMFDJTRBH-UHFFFAOYSA-N -1 1 376.380 1.643 20 0 GDADMM O=C(CCC(=O)N1CCOc2ccccc21)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822945779 606293554 /nfs/dbraw/zinc/29/35/54/606293554.db2.gz QORHWUHQUUEBKC-UHFFFAOYSA-N -1 1 394.391 1.717 20 0 GDADMM Cc1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1NS(C)(=O)=O ZINC000822226348 606295239 /nfs/dbraw/zinc/29/52/39/606295239.db2.gz NPRQUNPUHLVMKD-UHFFFAOYSA-N -1 1 388.409 1.505 20 0 GDADMM Cc1sc2ncn(CC(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])c(=O)c2c1C ZINC000822563399 606296644 /nfs/dbraw/zinc/29/66/44/606296644.db2.gz HVJBJJOZCJLOLU-UHFFFAOYSA-N -1 1 397.420 1.599 20 0 GDADMM O=C([O-])CCc1ccc(S(=O)(=O)Nc2cc(-c3nn[nH]n3)ccc2O)cc1 ZINC000823387729 606337936 /nfs/dbraw/zinc/33/79/36/606337936.db2.gz WDUJIEACLVJWQH-UHFFFAOYSA-N -1 1 389.393 1.390 20 0 GDADMM NC(=O)[C@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)Cc1ccc(F)cc1 ZINC000822850411 606465536 /nfs/dbraw/zinc/46/55/36/606465536.db2.gz GUIITFVBBKRRHZ-JTQLQIEISA-N -1 1 375.795 1.810 20 0 GDADMM NC(=O)[C@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)Cc1ccc(F)cc1 ZINC000822850411 606465538 /nfs/dbraw/zinc/46/55/38/606465538.db2.gz GUIITFVBBKRRHZ-JTQLQIEISA-N -1 1 375.795 1.810 20 0 GDADMM O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823373302 606502772 /nfs/dbraw/zinc/50/27/72/606502772.db2.gz WJIDQOGBSHVDIC-UHFFFAOYSA-N -1 1 384.421 1.653 20 0 GDADMM O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823373302 606502774 /nfs/dbraw/zinc/50/27/74/606502774.db2.gz WJIDQOGBSHVDIC-UHFFFAOYSA-N -1 1 384.421 1.653 20 0 GDADMM CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000820017163 606542539 /nfs/dbraw/zinc/54/25/39/606542539.db2.gz UFBXEPVHHXLKDR-LLVKDONJSA-N -1 1 376.486 1.941 20 0 GDADMM CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000820017163 606542541 /nfs/dbraw/zinc/54/25/41/606542541.db2.gz UFBXEPVHHXLKDR-LLVKDONJSA-N -1 1 376.486 1.941 20 0 GDADMM NC(=O)C1CCN(c2ccc(NC(=O)c3ccc(-c4nnn[n-]4)s3)cc2)CC1 ZINC000822865148 606542965 /nfs/dbraw/zinc/54/29/65/606542965.db2.gz WKDWMHPPPZOSII-UHFFFAOYSA-N -1 1 397.464 1.882 20 0 GDADMM NC(=O)C1CCN(c2ccc(NC(=O)c3ccc(-c4nn[n-]n4)s3)cc2)CC1 ZINC000822865148 606542967 /nfs/dbraw/zinc/54/29/67/606542967.db2.gz WKDWMHPPPZOSII-UHFFFAOYSA-N -1 1 397.464 1.882 20 0 GDADMM O=C(N[C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823144552 606578150 /nfs/dbraw/zinc/57/81/50/606578150.db2.gz IJONDOISUSOKMG-MCIONIFRSA-N -1 1 394.460 1.815 20 0 GDADMM O=C(N[C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823144552 606578152 /nfs/dbraw/zinc/57/81/52/606578152.db2.gz IJONDOISUSOKMG-MCIONIFRSA-N -1 1 394.460 1.815 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCn2c(nnc2-c2ccccc2)C1 ZINC000823488945 606580259 /nfs/dbraw/zinc/58/02/59/606580259.db2.gz ZCEDNYMKFVCBQA-UHFFFAOYSA-N -1 1 378.421 1.843 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCn2c(nnc2-c2ccccc2)C1 ZINC000823488945 606580260 /nfs/dbraw/zinc/58/02/60/606580260.db2.gz ZCEDNYMKFVCBQA-UHFFFAOYSA-N -1 1 378.421 1.843 20 0 GDADMM COc1ccc(OC)c(CN(CCO)C(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821842994 606596333 /nfs/dbraw/zinc/59/63/33/606596333.db2.gz XHFMFWSYSAJBCV-UHFFFAOYSA-N -1 1 389.437 1.580 20 0 GDADMM COc1ccc(OC)c(CN(CCO)C(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821842994 606596334 /nfs/dbraw/zinc/59/63/34/606596334.db2.gz XHFMFWSYSAJBCV-UHFFFAOYSA-N -1 1 389.437 1.580 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000822609590 606597400 /nfs/dbraw/zinc/59/74/00/606597400.db2.gz RARUCUKIYJFYJP-UHFFFAOYSA-N -1 1 387.835 1.608 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000822609590 606597403 /nfs/dbraw/zinc/59/74/03/606597403.db2.gz RARUCUKIYJFYJP-UHFFFAOYSA-N -1 1 387.835 1.608 20 0 GDADMM O=C(COc1ccc2c(c1)CCC(=O)N2)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823535800 606652367 /nfs/dbraw/zinc/65/23/67/606652367.db2.gz HXWIEOZWYWNUNV-UHFFFAOYSA-N -1 1 380.364 1.269 20 0 GDADMM O=C(COc1ccc2c(c1)CCC(=O)N2)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823535800 606652368 /nfs/dbraw/zinc/65/23/68/606652368.db2.gz HXWIEOZWYWNUNV-UHFFFAOYSA-N -1 1 380.364 1.269 20 0 GDADMM CC(C)S(=O)(=O)c1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000820183792 606652523 /nfs/dbraw/zinc/65/25/23/606652523.db2.gz LOBLVFCNDOLDTL-UHFFFAOYSA-N -1 1 387.421 1.801 20 0 GDADMM CC(C)S(=O)(=O)c1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000820183792 606652524 /nfs/dbraw/zinc/65/25/24/606652524.db2.gz LOBLVFCNDOLDTL-UHFFFAOYSA-N -1 1 387.421 1.801 20 0 GDADMM O=C(OCCCNc1ncnc2ccccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000823401607 606653794 /nfs/dbraw/zinc/65/37/94/606653794.db2.gz YUKMWJPTLWZVAK-UHFFFAOYSA-N -1 1 376.380 1.864 20 0 GDADMM O=C(OCCCNc1ncnc2ccccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000823401607 606653795 /nfs/dbraw/zinc/65/37/95/606653795.db2.gz YUKMWJPTLWZVAK-UHFFFAOYSA-N -1 1 376.380 1.864 20 0 GDADMM C[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1cccc(N2CCCC2)c1 ZINC000820449708 606733003 /nfs/dbraw/zinc/73/30/03/606733003.db2.gz AZGMIDYKCPQUOO-LBPRGKRZSA-N -1 1 396.455 1.037 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCO[C@@H](c2cccs2)C1 ZINC000823601088 606738875 /nfs/dbraw/zinc/73/88/75/606738875.db2.gz QEOQLDGQTXBSLF-GFCCVEGCSA-N -1 1 378.439 1.085 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCO[C@@H](c2cccs2)C1 ZINC000823601088 606738877 /nfs/dbraw/zinc/73/88/77/606738877.db2.gz QEOQLDGQTXBSLF-GFCCVEGCSA-N -1 1 378.439 1.085 20 0 GDADMM CN(C)c1ccc(-c2nn[nH]n2)c(NS(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000821589574 606751263 /nfs/dbraw/zinc/75/12/63/606751263.db2.gz UIOKBSDLUPRVSY-UHFFFAOYSA-N -1 1 388.409 1.432 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCOc2cc(F)ccc21 ZINC000823607243 606765901 /nfs/dbraw/zinc/76/59/01/606765901.db2.gz SAPNJADULGSROU-UHFFFAOYSA-N -1 1 379.348 1.733 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)cc1-c1nn[n-]n1 ZINC000821976793 606768998 /nfs/dbraw/zinc/76/89/98/606768998.db2.gz DGGWDGXJIYAVRM-AXTRIDKLSA-N -1 1 376.442 1.377 20 0 GDADMM CC(C)C[C@H]1CC(=O)N(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)C1 ZINC000820062470 606769112 /nfs/dbraw/zinc/76/91/12/606769112.db2.gz MMHPRYCDNPWJMI-GJZGRUSLSA-N -1 1 399.503 1.019 20 0 GDADMM CC(C)C[C@H]1CC(=O)N(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)C1 ZINC000820062470 606769114 /nfs/dbraw/zinc/76/91/14/606769114.db2.gz MMHPRYCDNPWJMI-GJZGRUSLSA-N -1 1 399.503 1.019 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)Nc2c[nH]c(C(N)=O)c2)c1-c1nnn[n-]1 ZINC000821989830 606799026 /nfs/dbraw/zinc/79/90/26/606799026.db2.gz LSOPZTOOWUBKTG-UHFFFAOYSA-N -1 1 384.425 1.540 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)Nc2c[nH]c(C(N)=O)c2)c1-c1nn[n-]n1 ZINC000821989830 606799027 /nfs/dbraw/zinc/79/90/27/606799027.db2.gz LSOPZTOOWUBKTG-UHFFFAOYSA-N -1 1 384.425 1.540 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1ncnc2ccsc21 ZINC000820804288 606807460 /nfs/dbraw/zinc/80/74/60/606807460.db2.gz PPPQCGHWIUBTFG-JTQLQIEISA-N -1 1 380.441 1.377 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1ncnc2ccsc21 ZINC000820804288 606807462 /nfs/dbraw/zinc/80/74/62/606807462.db2.gz PPPQCGHWIUBTFG-JTQLQIEISA-N -1 1 380.441 1.377 20 0 GDADMM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000821931991 606808168 /nfs/dbraw/zinc/80/81/68/606808168.db2.gz ICFGUWNVFYAWOS-YPMHNXCESA-N -1 1 387.469 1.545 20 0 GDADMM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000821931991 606808170 /nfs/dbraw/zinc/80/81/70/606808170.db2.gz ICFGUWNVFYAWOS-YPMHNXCESA-N -1 1 387.469 1.545 20 0 GDADMM Cc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cc1F ZINC000822226391 606822327 /nfs/dbraw/zinc/82/23/27/606822327.db2.gz QDXRQNBKNZBYNV-LBPRGKRZSA-N -1 1 382.403 1.455 20 0 GDADMM Cc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cc1F ZINC000822226391 606822329 /nfs/dbraw/zinc/82/23/29/606822329.db2.gz QDXRQNBKNZBYNV-LBPRGKRZSA-N -1 1 382.403 1.455 20 0 GDADMM C[C@@H]1CCCC[C@H]1CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820698963 606823343 /nfs/dbraw/zinc/82/33/43/606823343.db2.gz WWZCQFXRJVYRAP-ILXRZTDVSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCCC[C@H]1CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820698963 606823344 /nfs/dbraw/zinc/82/33/44/606823344.db2.gz WWZCQFXRJVYRAP-ILXRZTDVSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)Oc1ccc(CCNC(=O)Cn2cccc(-c3nn[n-]n3)c2=O)cc1 ZINC000820155261 606824535 /nfs/dbraw/zinc/82/45/35/606824535.db2.gz MQVCNKLMBGHRON-UHFFFAOYSA-N -1 1 382.424 1.175 20 0 GDADMM O=C(Cn1cccc(-c2nn[n-]n2)c1=O)NCc1ccccc1OC1CCCC1 ZINC000823122615 606825456 /nfs/dbraw/zinc/82/54/56/606825456.db2.gz FOMRYUYSWOHGCP-UHFFFAOYSA-N -1 1 394.435 1.666 20 0 GDADMM COc1ccccc1N1CC[C@@H](OC(=O)c2ccc(-c3nnn[n-]3)s2)C1=O ZINC000821897153 606826962 /nfs/dbraw/zinc/82/69/62/606826962.db2.gz DYBXYADVMUCUOV-GFCCVEGCSA-N -1 1 385.405 1.899 20 0 GDADMM COc1ccccc1N1CC[C@@H](OC(=O)c2ccc(-c3nn[n-]n3)s2)C1=O ZINC000821897153 606826964 /nfs/dbraw/zinc/82/69/64/606826964.db2.gz DYBXYADVMUCUOV-GFCCVEGCSA-N -1 1 385.405 1.899 20 0 GDADMM COc1ccsc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821904133 606830613 /nfs/dbraw/zinc/83/06/13/606830613.db2.gz QUAXWQXIWQNUIM-JTQLQIEISA-N -1 1 386.441 1.078 20 0 GDADMM COc1ccsc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821904133 606830614 /nfs/dbraw/zinc/83/06/14/606830614.db2.gz QUAXWQXIWQNUIM-JTQLQIEISA-N -1 1 386.441 1.078 20 0 GDADMM Cc1cccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1C ZINC000822284362 606832142 /nfs/dbraw/zinc/83/21/42/606832142.db2.gz QASWWEMPPOYEKH-ZDUSSCGKSA-N -1 1 378.440 1.624 20 0 GDADMM Cc1cccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1C ZINC000822284362 606832144 /nfs/dbraw/zinc/83/21/44/606832144.db2.gz QASWWEMPPOYEKH-ZDUSSCGKSA-N -1 1 378.440 1.624 20 0 GDADMM Cc1oc(NC(=O)COC(=O)Cc2c[nH]c3ncccc23)c(-c2nn[n-]n2)c1C ZINC000822548396 606832353 /nfs/dbraw/zinc/83/23/53/606832353.db2.gz KNKWBOPFGPAHMA-UHFFFAOYSA-N -1 1 395.379 1.677 20 0 GDADMM Cc1ccc([C@H]2COCCN2S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)o1 ZINC000822233101 606843749 /nfs/dbraw/zinc/84/37/49/606843749.db2.gz HYFXXEVRZXBXQP-CYBMUJFWSA-N -1 1 393.400 1.669 20 0 GDADMM CSc1ccccc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821983476 606855569 /nfs/dbraw/zinc/85/55/69/606855569.db2.gz ICBGDGTZRJCXKJ-LBPRGKRZSA-N -1 1 396.480 1.730 20 0 GDADMM CSc1ccccc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821983476 606855571 /nfs/dbraw/zinc/85/55/71/606855571.db2.gz ICBGDGTZRJCXKJ-LBPRGKRZSA-N -1 1 396.480 1.730 20 0 GDADMM C[C@H]1CC[C@H](C(=O)N2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)O1 ZINC000820678598 606864830 /nfs/dbraw/zinc/86/48/30/606864830.db2.gz WELYVYYKZYGZKF-WCQYABFASA-N -1 1 399.411 1.331 20 0 GDADMM C[C@@H]1OCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)[C@H]1C ZINC000820820261 607004804 /nfs/dbraw/zinc/00/48/04/607004804.db2.gz NEVXFHRQXKNZKT-IUCAKERBSA-N -1 1 391.375 1.683 20 0 GDADMM CCc1nn(Cc2csc(N(C)C3CC3)n2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000821517763 607097290 /nfs/dbraw/zinc/09/72/90/607097290.db2.gz OERLEPVLWDUQDA-UHFFFAOYSA-N -1 1 386.485 1.652 20 0 GDADMM CCc1ccccc1N1C[C@H](C(=O)Nc2ncc(-c3nnn[n-]3)s2)CC1=O ZINC000821497722 607104724 /nfs/dbraw/zinc/10/47/24/607104724.db2.gz YIXZNQVURDPRCT-LLVKDONJSA-N -1 1 383.437 1.877 20 0 GDADMM CCc1ccccc1N1C[C@H](C(=O)Nc2ncc(-c3nn[n-]n3)s2)CC1=O ZINC000821497722 607104725 /nfs/dbraw/zinc/10/47/25/607104725.db2.gz YIXZNQVURDPRCT-LLVKDONJSA-N -1 1 383.437 1.877 20 0 GDADMM CC1(C)CC(=O)c2cc(C(=O)Nc3ncc(-c4nnn[n-]4)s3)c(=O)[nH]c2C1 ZINC000820585001 607107483 /nfs/dbraw/zinc/10/74/83/607107483.db2.gz MAXQCDCPCMZPGX-UHFFFAOYSA-N -1 1 385.409 1.831 20 0 GDADMM CC1(C)CC(=O)c2cc(C(=O)Nc3ncc(-c4nn[n-]n4)s3)c(=O)[nH]c2C1 ZINC000820585001 607107485 /nfs/dbraw/zinc/10/74/85/607107485.db2.gz MAXQCDCPCMZPGX-UHFFFAOYSA-N -1 1 385.409 1.831 20 0 GDADMM COC(=O)[C@]1(C)CCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)C1 ZINC000821652731 607137761 /nfs/dbraw/zinc/13/77/61/607137761.db2.gz YUGILCLRGFRXAG-GOSISDBHSA-N -1 1 384.396 1.584 20 0 GDADMM COC(=O)[C@]1(C)CCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)C1 ZINC000821652731 607137763 /nfs/dbraw/zinc/13/77/63/607137763.db2.gz YUGILCLRGFRXAG-GOSISDBHSA-N -1 1 384.396 1.584 20 0 GDADMM O=S(=O)(N[C@H]1CCOC2(CCCCC2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823572565 607144832 /nfs/dbraw/zinc/14/48/32/607144832.db2.gz IYCOKCNRDKYDNI-LBPRGKRZSA-N -1 1 378.458 1.422 20 0 GDADMM O=S(=O)(N[C@H]1CCOC2(CCCCC2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823572565 607144833 /nfs/dbraw/zinc/14/48/33/607144833.db2.gz IYCOKCNRDKYDNI-LBPRGKRZSA-N -1 1 378.458 1.422 20 0 GDADMM CCc1cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)oc1CC ZINC000821471001 607159726 /nfs/dbraw/zinc/15/97/26/607159726.db2.gz ULSGRRLGTZWJEA-GFCCVEGCSA-N -1 1 396.455 1.725 20 0 GDADMM CCc1cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)oc1CC ZINC000821471001 607159727 /nfs/dbraw/zinc/15/97/27/607159727.db2.gz ULSGRRLGTZWJEA-GFCCVEGCSA-N -1 1 396.455 1.725 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC[C@H](O)c2cccc(C)c2)cc1-c1nn[n-]n1 ZINC000821979030 607162458 /nfs/dbraw/zinc/16/24/58/607162458.db2.gz OARPRQHEFRWYOU-ZDUSSCGKSA-N -1 1 386.437 1.461 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccccc1N1CCc2ccccc21 ZINC000823135982 607207691 /nfs/dbraw/zinc/20/76/91/607207691.db2.gz DKXANOAXYFQXQU-UHFFFAOYSA-N -1 1 387.407 1.791 20 0 GDADMM Cn1c2ccccc2nc1[C@@H]1CCCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822595602 607209862 /nfs/dbraw/zinc/20/98/62/607209862.db2.gz ADINVXVFGOHIFV-AWEZNQCLSA-N -1 1 392.427 1.099 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(-c2noc(C(F)F)n2)cc1 ZINC000823132014 607213704 /nfs/dbraw/zinc/21/37/04/607213704.db2.gz VIXLQFGXPVIFPJ-UHFFFAOYSA-N -1 1 388.298 1.085 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000823123106 607222328 /nfs/dbraw/zinc/22/23/28/607222328.db2.gz OERIIKDQHAQPPC-UHFFFAOYSA-N -1 1 388.382 1.708 20 0 GDADMM O=C(c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1)N1CCO[C@H](CO)C1 ZINC000823488661 607234755 /nfs/dbraw/zinc/23/47/55/607234755.db2.gz RNKWOFGNWVRDTM-AWEZNQCLSA-N -1 1 399.382 1.631 20 0 GDADMM O=C(c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1)N1CCO[C@H](CO)C1 ZINC000823488661 607234756 /nfs/dbraw/zinc/23/47/56/607234756.db2.gz RNKWOFGNWVRDTM-AWEZNQCLSA-N -1 1 399.382 1.631 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC1(C)CCOCC1 ZINC000826328126 607776218 /nfs/dbraw/zinc/77/62/18/607776218.db2.gz GXTOHPYXQRDPRH-UHFFFAOYSA-N -1 1 384.444 1.144 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC1(C)CCOCC1 ZINC000826328126 607776219 /nfs/dbraw/zinc/77/62/19/607776219.db2.gz GXTOHPYXQRDPRH-UHFFFAOYSA-N -1 1 384.444 1.144 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCC[C@@H]1C[C@H](C)O ZINC000826328256 607779267 /nfs/dbraw/zinc/77/92/67/607779267.db2.gz KUGYLKSNKZQEIZ-SMDDNHRTSA-N -1 1 398.471 1.221 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCC[C@@H]1C[C@H](C)O ZINC000826328256 607779268 /nfs/dbraw/zinc/77/92/68/607779268.db2.gz KUGYLKSNKZQEIZ-SMDDNHRTSA-N -1 1 398.471 1.221 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1C[C@@H](C)Oc2ncccc21 ZINC000826233062 607791672 /nfs/dbraw/zinc/79/16/72/607791672.db2.gz SFVGJIZDDHXPSU-SNVBAGLBSA-N -1 1 395.423 1.726 20 0 GDADMM CC[C@H]1CN(C(=O)C(C)C)CC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000825203135 607802414 /nfs/dbraw/zinc/80/24/14/607802414.db2.gz MJGCHYITVLZHIZ-RYUDHWBXSA-N -1 1 376.486 1.941 20 0 GDADMM CC[C@H]1CN(C(=O)C(C)C)CC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000825203135 607802415 /nfs/dbraw/zinc/80/24/15/607802415.db2.gz MJGCHYITVLZHIZ-RYUDHWBXSA-N -1 1 376.486 1.941 20 0 GDADMM Cc1cnc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)c(Br)c1 ZINC000826318819 607816211 /nfs/dbraw/zinc/81/62/11/607816211.db2.gz APXNKKIHGHEQFD-UHFFFAOYSA-N -1 1 396.230 1.528 20 0 GDADMM Cc1ccccc1[C@H](OC[C@H](O)Cn1cnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000826305668 607869224 /nfs/dbraw/zinc/86/92/24/607869224.db2.gz FAKQKBNKAUJYMU-SJLPKXTDSA-N -1 1 391.435 1.934 20 0 GDADMM O=S(=O)(NC[C@@H]1CCC[C@@H]1O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826489889 607937573 /nfs/dbraw/zinc/93/75/73/607937573.db2.gz COHIALZNTOKQFH-KWQFWETISA-N -1 1 391.375 1.325 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@@H](C)c1cn[nH]c1 ZINC000826328506 607955831 /nfs/dbraw/zinc/95/58/31/607955831.db2.gz SUJVFACQFXSZEY-VIFPVBQESA-N -1 1 380.416 1.059 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@@H](C)c1cn[nH]c1 ZINC000826328506 607955832 /nfs/dbraw/zinc/95/58/32/607955832.db2.gz SUJVFACQFXSZEY-VIFPVBQESA-N -1 1 380.416 1.059 20 0 GDADMM O=S(=O)(N[C@@H]1c2ccccc2C[C@@H]1O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826489708 607971600 /nfs/dbraw/zinc/97/16/00/607971600.db2.gz XOQQOURVAIVZLQ-SWLSCSKDSA-N -1 1 391.840 1.457 20 0 GDADMM O=S(=O)(N[C@@H]1c2ccccc2C[C@@H]1O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826489708 607971601 /nfs/dbraw/zinc/97/16/01/607971601.db2.gz XOQQOURVAIVZLQ-SWLSCSKDSA-N -1 1 391.840 1.457 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1csc(C2CC2)n1 ZINC000825000562 607984810 /nfs/dbraw/zinc/98/48/10/607984810.db2.gz SKIYGAALXCXEHM-NSHDSACASA-N -1 1 383.485 1.701 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1csc(C2CC2)n1 ZINC000825000562 607984811 /nfs/dbraw/zinc/98/48/11/607984811.db2.gz SKIYGAALXCXEHM-NSHDSACASA-N -1 1 383.485 1.701 20 0 GDADMM c1cc(C2(CNc3ccc(-c4nnn[n-]4)nn3)CCOCC2)cc2c1OCO2 ZINC000826518788 607990191 /nfs/dbraw/zinc/99/01/91/607990191.db2.gz XUXIWGZNMOKCTL-UHFFFAOYSA-N -1 1 381.396 1.546 20 0 GDADMM c1cc(C2(CNc3ccc(-c4nn[n-]n4)nn3)CCOCC2)cc2c1OCO2 ZINC000826518788 607990192 /nfs/dbraw/zinc/99/01/92/607990192.db2.gz XUXIWGZNMOKCTL-UHFFFAOYSA-N -1 1 381.396 1.546 20 0 GDADMM Cc1oc(NC(=O)CN2CC[C@@H](C(N)=O)c3ccccc32)c(-c2nn[n-]n2)c1C ZINC000826342061 607993485 /nfs/dbraw/zinc/99/34/85/607993485.db2.gz XAZQXLCTHVJMCV-CYBMUJFWSA-N -1 1 395.423 1.494 20 0 GDADMM CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000824108981 607999046 /nfs/dbraw/zinc/99/90/46/607999046.db2.gz LZLJHWOPULVPSY-GFCCVEGCSA-N -1 1 390.400 1.147 20 0 GDADMM COC(=O)[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(Cl)c(F)c1 ZINC000826111370 608008535 /nfs/dbraw/zinc/00/85/35/608008535.db2.gz DIZGLQKDAWGUSB-CYBMUJFWSA-N -1 1 390.762 1.698 20 0 GDADMM COC(=O)[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(Cl)c(F)c1 ZINC000826111370 608008536 /nfs/dbraw/zinc/00/85/36/608008536.db2.gz DIZGLQKDAWGUSB-CYBMUJFWSA-N -1 1 390.762 1.698 20 0 GDADMM Cc1ccc(N2C[C@H](C(=O)n3ncc(-c4nn[n-]n4)c3N)CCC2=O)cc1C ZINC000826289445 608026606 /nfs/dbraw/zinc/02/66/06/608026606.db2.gz AEFJUSXVGBSZFQ-GFCCVEGCSA-N -1 1 380.412 1.346 20 0 GDADMM Cc1ccc(N2C[C@H](C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CCC2=O)cc1C ZINC000826289661 608029082 /nfs/dbraw/zinc/02/90/82/608029082.db2.gz IGIDDORSQZLEER-CYBMUJFWSA-N -1 1 394.439 1.599 20 0 GDADMM Cc1ccc(N2C[C@H](C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CCC2=O)cc1C ZINC000826289661 608029083 /nfs/dbraw/zinc/02/90/83/608029083.db2.gz IGIDDORSQZLEER-CYBMUJFWSA-N -1 1 394.439 1.599 20 0 GDADMM Nc1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)ccc1Br ZINC000826395478 608029155 /nfs/dbraw/zinc/02/91/55/608029155.db2.gz DQCQNRLVWMBXFO-UHFFFAOYSA-N -1 1 375.186 1.963 20 0 GDADMM Nc1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)ccc1Br ZINC000826395478 608029156 /nfs/dbraw/zinc/02/91/56/608029156.db2.gz DQCQNRLVWMBXFO-UHFFFAOYSA-N -1 1 375.186 1.963 20 0 GDADMM Cc1oc(NC(=O)COC(=O)[C@H]2CCC(=O)[C@@H](C)C2)c(-c2nn[n-]n2)c1C ZINC000826342387 608059330 /nfs/dbraw/zinc/05/93/30/608059330.db2.gz IJPXPTADPCZDTN-KWQFWETISA-N -1 1 375.385 1.564 20 0 GDADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N(C)C2=O ZINC000826280208 608101370 /nfs/dbraw/zinc/10/13/70/608101370.db2.gz RICJGRFLYUWLSY-UHFFFAOYSA-N -1 1 398.404 1.202 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@@H](O)c2ccc(Cl)c(F)c2)n1 ZINC000826357175 608106663 /nfs/dbraw/zinc/10/66/63/608106663.db2.gz UPSIXMXJDNRONI-LLVKDONJSA-N -1 1 380.771 1.248 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@@H](O)c2ccc(Cl)c(F)c2)n1 ZINC000826357175 608106664 /nfs/dbraw/zinc/10/66/64/608106664.db2.gz UPSIXMXJDNRONI-LLVKDONJSA-N -1 1 380.771 1.248 20 0 GDADMM COCCOc1ccc(-c2nn[nH]n2)cc1NC(=O)c1ccc(OC)cc1[O-] ZINC000826161377 608138689 /nfs/dbraw/zinc/13/86/89/608138689.db2.gz FJTRUMXIAYZWEA-UHFFFAOYSA-N -1 1 385.380 1.858 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)NCCCn2ccnn2)c1-c1nn[n-]n1 ZINC000826231526 608140924 /nfs/dbraw/zinc/14/09/24/608140924.db2.gz OXYNRQSGFYYKAF-UHFFFAOYSA-N -1 1 385.457 1.273 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@@H](C)C(=O)OCC(C)C)cc1-c1nn[n-]n1 ZINC000826229510 608209484 /nfs/dbraw/zinc/20/94/84/608209484.db2.gz HOQBMIYMECQRHI-QMMMGPOBSA-N -1 1 380.430 1.007 20 0 GDADMM CCCOc1cccc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000825341652 608211003 /nfs/dbraw/zinc/21/10/03/608211003.db2.gz GVFUWZHOWZLSML-UHFFFAOYSA-N -1 1 384.444 1.666 20 0 GDADMM CCCOc1cccc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000825341652 608211005 /nfs/dbraw/zinc/21/10/05/608211005.db2.gz GVFUWZHOWZLSML-UHFFFAOYSA-N -1 1 384.444 1.666 20 0 GDADMM CC(=CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000823942506 608212009 /nfs/dbraw/zinc/21/20/09/608212009.db2.gz DRTLNSNRCSOPIB-KHPPLWFESA-N -1 1 384.419 1.806 20 0 GDADMM CC(=CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000823942506 608212011 /nfs/dbraw/zinc/21/20/11/608212011.db2.gz DRTLNSNRCSOPIB-KHPPLWFESA-N -1 1 384.419 1.806 20 0 GDADMM Cc1cc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c(F)cc1F ZINC000826257217 608212334 /nfs/dbraw/zinc/21/23/34/608212334.db2.gz SRIFFXPYPNYZCK-UHFFFAOYSA-N -1 1 376.371 1.463 20 0 GDADMM Cc1cc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c(F)cc1F ZINC000826257217 608212335 /nfs/dbraw/zinc/21/23/35/608212335.db2.gz SRIFFXPYPNYZCK-UHFFFAOYSA-N -1 1 376.371 1.463 20 0 GDADMM Cn1ccc(CN2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)n1 ZINC000826363036 608227512 /nfs/dbraw/zinc/22/75/12/608227512.db2.gz UFQKPBAZXCHPGG-UHFFFAOYSA-N -1 1 381.400 1.170 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000826232922 608249681 /nfs/dbraw/zinc/24/96/81/608249681.db2.gz NFGXBOIMQVSBPC-UKRRQHHQSA-N -1 1 388.472 1.837 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC(OCCO)CC1 ZINC000826341193 608276761 /nfs/dbraw/zinc/27/67/61/608276761.db2.gz ZVNZYRNNZLDPCB-UHFFFAOYSA-N -1 1 386.412 1.172 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC(OCCO)CC1 ZINC000826341193 608276762 /nfs/dbraw/zinc/27/67/62/608276762.db2.gz ZVNZYRNNZLDPCB-UHFFFAOYSA-N -1 1 386.412 1.172 20 0 GDADMM CCC1(O)CCC(NC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)CC1 ZINC000825176523 608280015 /nfs/dbraw/zinc/28/00/15/608280015.db2.gz WNBDPYZAGVWBHU-UHFFFAOYSA-N -1 1 378.458 1.503 20 0 GDADMM CS[C@H](C)CCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000826225566 608314366 /nfs/dbraw/zinc/31/43/66/608314366.db2.gz FFEYCLQSQQCKEN-VXGBXAGGSA-N -1 1 376.490 1.226 20 0 GDADMM CS[C@H](C)CCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000826225566 608314367 /nfs/dbraw/zinc/31/43/67/608314367.db2.gz FFEYCLQSQQCKEN-VXGBXAGGSA-N -1 1 376.490 1.226 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CC=C(c3ccc(Cl)nc3)CC2)n1 ZINC000826356935 608337702 /nfs/dbraw/zinc/33/77/02/608337702.db2.gz LEQYKPAYXPQCMC-UHFFFAOYSA-N -1 1 385.819 1.970 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CC=C(c3ccc(Cl)nc3)CC2)n1 ZINC000826356935 608337704 /nfs/dbraw/zinc/33/77/04/608337704.db2.gz LEQYKPAYXPQCMC-UHFFFAOYSA-N -1 1 385.819 1.970 20 0 GDADMM CN(Cc1ccc(O)cc1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825966176 608342604 /nfs/dbraw/zinc/34/26/04/608342604.db2.gz RMIINYJMALZTSZ-UHFFFAOYSA-N -1 1 398.427 1.121 20 0 GDADMM CN(Cc1ccc(O)cc1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825966176 608342605 /nfs/dbraw/zinc/34/26/05/608342605.db2.gz RMIINYJMALZTSZ-UHFFFAOYSA-N -1 1 398.427 1.121 20 0 GDADMM CC1CCC(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CC1 ZINC000824906795 608350003 /nfs/dbraw/zinc/35/00/03/608350003.db2.gz FEDXMGKKNDOYHB-UHFFFAOYSA-N -1 1 388.476 1.699 20 0 GDADMM CC1CCC(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CC1 ZINC000824906795 608350005 /nfs/dbraw/zinc/35/00/05/608350005.db2.gz FEDXMGKKNDOYHB-UHFFFAOYSA-N -1 1 388.476 1.699 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N2C3CCCC2CCC3)n1 ZINC000824141571 608354092 /nfs/dbraw/zinc/35/40/92/608354092.db2.gz JMCDPHGLYNASPK-UHFFFAOYSA-N -1 1 386.460 1.690 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N2C3CCCC2CCC3)n1 ZINC000824141571 608354094 /nfs/dbraw/zinc/35/40/94/608354094.db2.gz JMCDPHGLYNASPK-UHFFFAOYSA-N -1 1 386.460 1.690 20 0 GDADMM Cc1nc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cs1 ZINC000826326890 608384578 /nfs/dbraw/zinc/38/45/78/608384578.db2.gz JJGPMCPWWVSGSM-VIFPVBQESA-N -1 1 386.445 1.164 20 0 GDADMM Cc1nc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cs1 ZINC000826326890 608384580 /nfs/dbraw/zinc/38/45/80/608384580.db2.gz JJGPMCPWWVSGSM-VIFPVBQESA-N -1 1 386.445 1.164 20 0 GDADMM CC(C)(C)c1nc(CN2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)cs1 ZINC000824141126 608399082 /nfs/dbraw/zinc/39/90/82/608399082.db2.gz CZGOVZCGIWGQDD-UHFFFAOYSA-N -1 1 385.501 1.733 20 0 GDADMM CC(C)(C)c1nc(CN2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)cs1 ZINC000824141126 608399083 /nfs/dbraw/zinc/39/90/83/608399083.db2.gz CZGOVZCGIWGQDD-UHFFFAOYSA-N -1 1 385.501 1.733 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C(F)(F)c1ccccc1F ZINC000825923695 608408313 /nfs/dbraw/zinc/40/83/13/608408313.db2.gz RUODZIWBLAVMHX-UHFFFAOYSA-N -1 1 394.361 1.494 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C(F)(F)c1ccccc1F ZINC000825923695 608408314 /nfs/dbraw/zinc/40/83/14/608408314.db2.gz RUODZIWBLAVMHX-UHFFFAOYSA-N -1 1 394.361 1.494 20 0 GDADMM CC[C@H](CSC)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000825128679 608423456 /nfs/dbraw/zinc/42/34/56/608423456.db2.gz XWLWTPRBJPRDHL-NWDGAFQWSA-N -1 1 391.505 1.018 20 0 GDADMM CC[C@H](CSC)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000825128679 608423458 /nfs/dbraw/zinc/42/34/58/608423458.db2.gz XWLWTPRBJPRDHL-NWDGAFQWSA-N -1 1 391.505 1.018 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1ccc(C(F)(F)F)nn1 ZINC000824999003 608431456 /nfs/dbraw/zinc/43/14/56/608431456.db2.gz CHEXIXUQDCLGCO-SECBINFHSA-N -1 1 392.349 1.181 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1ccc(C(F)(F)F)nn1 ZINC000824999003 608431457 /nfs/dbraw/zinc/43/14/57/608431457.db2.gz CHEXIXUQDCLGCO-SECBINFHSA-N -1 1 392.349 1.181 20 0 GDADMM C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000824756854 608441104 /nfs/dbraw/zinc/44/11/04/608441104.db2.gz QSKRDXUFJJHXGY-VIFPVBQESA-N -1 1 387.318 1.246 20 0 GDADMM Cc1nc(NCCCc2[nH]nc(N)c2-c2nnn[n-]2)ccc1Br ZINC000826327700 608541724 /nfs/dbraw/zinc/54/17/24/608541724.db2.gz QTAMUFZLJKIXFB-UHFFFAOYSA-N -1 1 378.238 1.683 20 0 GDADMM Cc1nc(NCCCc2[nH]nc(N)c2-c2nn[n-]n2)ccc1Br ZINC000826327700 608541726 /nfs/dbraw/zinc/54/17/26/608541726.db2.gz QTAMUFZLJKIXFB-UHFFFAOYSA-N -1 1 378.238 1.683 20 0 GDADMM CCOc1cccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000825649687 608548866 /nfs/dbraw/zinc/54/88/66/608548866.db2.gz VFIVULIMPHGLDL-UHFFFAOYSA-N -1 1 385.432 1.667 20 0 GDADMM CCOc1cccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000825649687 608548867 /nfs/dbraw/zinc/54/88/67/608548867.db2.gz VFIVULIMPHGLDL-UHFFFAOYSA-N -1 1 385.432 1.667 20 0 GDADMM CN(C)c1ccc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1F ZINC000825934701 608556814 /nfs/dbraw/zinc/55/68/14/608556814.db2.gz QEGDFDXPJGOGAV-UHFFFAOYSA-N -1 1 387.423 1.082 20 0 GDADMM CN(C)c1ccc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1F ZINC000825934701 608556815 /nfs/dbraw/zinc/55/68/15/608556815.db2.gz QEGDFDXPJGOGAV-UHFFFAOYSA-N -1 1 387.423 1.082 20 0 GDADMM C[C@H](Oc1ccccc1F)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824754671 608559092 /nfs/dbraw/zinc/55/90/92/608559092.db2.gz JGTIGVWLOBWQBM-JTQLQIEISA-N -1 1 388.407 1.170 20 0 GDADMM C[C@H](Oc1ccccc1F)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824754671 608559094 /nfs/dbraw/zinc/55/90/94/608559094.db2.gz JGTIGVWLOBWQBM-JTQLQIEISA-N -1 1 388.407 1.170 20 0 GDADMM CCO[C@@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccccc1 ZINC000825576059 608560405 /nfs/dbraw/zinc/56/04/05/608560405.db2.gz BSDSZBXABDRSBO-OAHLLOKOSA-N -1 1 384.444 1.341 20 0 GDADMM CCO[C@@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccccc1 ZINC000825576059 608560407 /nfs/dbraw/zinc/56/04/07/608560407.db2.gz BSDSZBXABDRSBO-OAHLLOKOSA-N -1 1 384.444 1.341 20 0 GDADMM c1cc(-c2nn[n-]n2)sc1CN1CCc2ncnc(N3CCOCC3)c2C1 ZINC000826526612 608665960 /nfs/dbraw/zinc/66/59/60/608665960.db2.gz FHVNNTUMEONQTO-UHFFFAOYSA-N -1 1 384.469 1.113 20 0 GDADMM C[C@H]1C[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CCO1 ZINC000824892091 608758996 /nfs/dbraw/zinc/75/89/96/608758996.db2.gz DFPKYKJDWVAIDA-WCBMZHEXSA-N -1 1 391.375 1.731 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cnn(C(C)(C)C)c1 ZINC000825001074 608839811 /nfs/dbraw/zinc/83/98/11/608839811.db2.gz WVZBCTBETWGDKB-ZDUSSCGKSA-N -1 1 382.476 1.319 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1cnn(C(C)(C)C)c1 ZINC000825001074 608839813 /nfs/dbraw/zinc/83/98/13/608839813.db2.gz WVZBCTBETWGDKB-ZDUSSCGKSA-N -1 1 382.476 1.319 20 0 GDADMM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(Cc2ccc(-c3nnn[n-]3)o2)CCO1 ZINC000824505681 608842831 /nfs/dbraw/zinc/84/28/31/608842831.db2.gz HAPUIAPPDWECTG-BXUZGUMPSA-N -1 1 378.433 1.574 20 0 GDADMM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(Cc2ccc(-c3nn[n-]n3)o2)CCO1 ZINC000824505681 608842832 /nfs/dbraw/zinc/84/28/32/608842832.db2.gz HAPUIAPPDWECTG-BXUZGUMPSA-N -1 1 378.433 1.574 20 0 GDADMM COc1c(C)ccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1C ZINC000826166967 609153088 /nfs/dbraw/zinc/15/30/88/609153088.db2.gz JNANMGAAKRJLFW-UHFFFAOYSA-N -1 1 399.459 1.894 20 0 GDADMM COc1c(C)ccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1C ZINC000826166967 609153089 /nfs/dbraw/zinc/15/30/89/609153089.db2.gz JNANMGAAKRJLFW-UHFFFAOYSA-N -1 1 399.459 1.894 20 0 GDADMM Cc1cc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)nn1-c1cc(C)cc(C)c1 ZINC000826263502 609234006 /nfs/dbraw/zinc/23/40/06/609234006.db2.gz FBMAKFLRSRFLRB-UHFFFAOYSA-N -1 1 377.412 1.963 20 0 GDADMM Cc1cc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)nn1-c1cc(C)cc(C)c1 ZINC000826263502 609234007 /nfs/dbraw/zinc/23/40/07/609234007.db2.gz FBMAKFLRSRFLRB-UHFFFAOYSA-N -1 1 377.412 1.963 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccc([O-])cc1F ZINC000826430729 609266365 /nfs/dbraw/zinc/26/63/65/609266365.db2.gz JPXVXGDTCYVZEC-INIZCTEOSA-N -1 1 396.382 1.637 20 0 GDADMM CC[C@@H](C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N1CCCC1=O ZINC000825040036 609286850 /nfs/dbraw/zinc/28/68/50/609286850.db2.gz YGSRVSIWHCKHPP-LBPRGKRZSA-N -1 1 398.402 1.531 20 0 GDADMM O=C(CCn1ccccc1=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826409495 609291250 /nfs/dbraw/zinc/29/12/50/609291250.db2.gz BTKNPVMACOYBKK-UHFFFAOYSA-N -1 1 394.370 1.382 20 0 GDADMM C[C@H](CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccccc1 ZINC000824422433 609298224 /nfs/dbraw/zinc/29/82/24/609298224.db2.gz ZUKULCKDDVJPTN-GFCCVEGCSA-N -1 1 383.460 1.550 20 0 GDADMM C[C@H](CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccccc1 ZINC000824422433 609298226 /nfs/dbraw/zinc/29/82/26/609298226.db2.gz ZUKULCKDDVJPTN-GFCCVEGCSA-N -1 1 383.460 1.550 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCCCCc1ccccc1 ZINC000825930762 609299099 /nfs/dbraw/zinc/29/90/99/609299099.db2.gz YFXQRBJGWQNKSS-UHFFFAOYSA-N -1 1 397.487 1.769 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCCCCc1ccccc1 ZINC000825930762 609299101 /nfs/dbraw/zinc/29/91/01/609299101.db2.gz YFXQRBJGWQNKSS-UHFFFAOYSA-N -1 1 397.487 1.769 20 0 GDADMM COc1ccccc1[C@H](C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826219251 609299834 /nfs/dbraw/zinc/29/98/34/609299834.db2.gz WYVQHFSSEWTQMY-NSHDSACASA-N -1 1 399.459 1.516 20 0 GDADMM COc1ccccc1[C@H](C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826219251 609299835 /nfs/dbraw/zinc/29/98/35/609299835.db2.gz WYVQHFSSEWTQMY-NSHDSACASA-N -1 1 399.459 1.516 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000825930048 609300870 /nfs/dbraw/zinc/30/08/70/609300870.db2.gz OVHKEWDKXABHAA-GXTWGEPZSA-N -1 1 381.444 1.302 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000825930048 609300872 /nfs/dbraw/zinc/30/08/72/609300872.db2.gz OVHKEWDKXABHAA-GXTWGEPZSA-N -1 1 381.444 1.302 20 0 GDADMM Cc1cc(C)c(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c(C)c1 ZINC000826263354 609301043 /nfs/dbraw/zinc/30/10/43/609301043.db2.gz WWMPMYJTKFMXKS-UHFFFAOYSA-N -1 1 397.487 1.871 20 0 GDADMM Cc1cc(C)c(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c(C)c1 ZINC000826263354 609301044 /nfs/dbraw/zinc/30/10/44/609301044.db2.gz WWMPMYJTKFMXKS-UHFFFAOYSA-N -1 1 397.487 1.871 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@@H]1CCCc2occc21 ZINC000825929830 609301152 /nfs/dbraw/zinc/30/11/52/609301152.db2.gz LCKXOPMCLSFKJL-LLVKDONJSA-N -1 1 385.432 1.417 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@@H]1CCCc2occc21 ZINC000825929830 609301154 /nfs/dbraw/zinc/30/11/54/609301154.db2.gz LCKXOPMCLSFKJL-LLVKDONJSA-N -1 1 385.432 1.417 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@@H](C)CC(=O)c2ccco2)cc1-c1nn[n-]n1 ZINC000826229980 609301217 /nfs/dbraw/zinc/30/12/17/609301217.db2.gz YZVGSOXMPJABMH-QMMMGPOBSA-N -1 1 388.409 1.674 20 0 GDADMM CC[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1nccs1 ZINC000825132980 609302048 /nfs/dbraw/zinc/30/20/48/609302048.db2.gz GQRJLMFUZHUVBI-VIFPVBQESA-N -1 1 390.477 1.354 20 0 GDADMM CC[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1nccs1 ZINC000825132980 609302050 /nfs/dbraw/zinc/30/20/50/609302050.db2.gz GQRJLMFUZHUVBI-VIFPVBQESA-N -1 1 390.477 1.354 20 0 GDADMM CCc1ccccc1CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825723176 609302351 /nfs/dbraw/zinc/30/23/51/609302351.db2.gz SXAAIRAEKCRTHF-UHFFFAOYSA-N -1 1 383.460 1.509 20 0 GDADMM CCc1ccccc1CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825723176 609302352 /nfs/dbraw/zinc/30/23/52/609302352.db2.gz SXAAIRAEKCRTHF-UHFFFAOYSA-N -1 1 383.460 1.509 20 0 GDADMM C[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)C1CCCCC1 ZINC000824492009 609303121 /nfs/dbraw/zinc/30/31/21/609303121.db2.gz WMXYMECYRNKPFS-LLVKDONJSA-N -1 1 375.481 1.715 20 0 GDADMM C[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)C1CCCCC1 ZINC000824492009 609303123 /nfs/dbraw/zinc/30/31/23/609303123.db2.gz WMXYMECYRNKPFS-LLVKDONJSA-N -1 1 375.481 1.715 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@H]1C[C@H]1C1CCCCC1 ZINC000825929096 609304055 /nfs/dbraw/zinc/30/40/55/609304055.db2.gz AKWXTKYZGYDSQZ-JSGCOSHPSA-N -1 1 387.492 1.715 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@H]1C[C@H]1C1CCCCC1 ZINC000825929096 609304056 /nfs/dbraw/zinc/30/40/56/609304056.db2.gz AKWXTKYZGYDSQZ-JSGCOSHPSA-N -1 1 387.492 1.715 20 0 GDADMM CCc1cnccc1[C@H](C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825735317 609309940 /nfs/dbraw/zinc/30/99/40/609309940.db2.gz PZKBXSABIYPQLY-NSHDSACASA-N -1 1 398.475 1.465 20 0 GDADMM CCc1cnccc1[C@H](C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825735317 609309942 /nfs/dbraw/zinc/30/99/42/609309942.db2.gz PZKBXSABIYPQLY-NSHDSACASA-N -1 1 398.475 1.465 20 0 GDADMM O=C(COc1ccccc1O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826419589 609313528 /nfs/dbraw/zinc/31/35/28/609313528.db2.gz DWOXMAQJTQUHJB-UHFFFAOYSA-N -1 1 395.354 1.915 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)[C@@H]1CC12CCOCC2 ZINC000826458348 609314246 /nfs/dbraw/zinc/31/42/46/609314246.db2.gz MJZSNVOQXFBLQJ-NSHDSACASA-N -1 1 383.387 1.947 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H](CC2CCC2)c2ccccc2)n(C)c1=O ZINC000826355711 609320844 /nfs/dbraw/zinc/32/08/44/609320844.db2.gz KHNUUEMIVHLANL-CQSZACIVSA-N -1 1 381.440 1.608 20 0 GDADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)c(Cl)c2)cc1C(N)=O ZINC000826292854 609338614 /nfs/dbraw/zinc/33/86/14/609338614.db2.gz OQXPOWMVGCTFHE-UHFFFAOYSA-N -1 1 392.828 1.728 20 0 GDADMM O=C(NCC1CCC1)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826434753 609354799 /nfs/dbraw/zinc/35/47/99/609354799.db2.gz WOQPUFYMZGVBOV-UHFFFAOYSA-N -1 1 384.375 1.046 20 0 GDADMM CCCN(CC)C(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825307919 609356239 /nfs/dbraw/zinc/35/62/39/609356239.db2.gz RDLNEMDGZHMJQI-UHFFFAOYSA-N -1 1 386.391 1.389 20 0 GDADMM O=C(NC[C@H]1CCCOC1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826435481 609357554 /nfs/dbraw/zinc/35/75/54/609357554.db2.gz PITHDNKQWGYESD-LLVKDONJSA-N -1 1 386.391 1.740 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N[C@H]1CCC[C@H](O)C1 ZINC000826458109 609364545 /nfs/dbraw/zinc/36/45/45/609364545.db2.gz CVIRMYKYMABJOY-QWRGUYRKSA-N -1 1 386.391 1.617 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N[C@H]1CCCC[C@@H]1O ZINC000826458549 609364920 /nfs/dbraw/zinc/36/49/20/609364920.db2.gz UYSFKXCMSZIOEA-AAEUAGOBSA-N -1 1 386.391 1.617 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N[C@@H]1C=C[C@H](CO)C1 ZINC000826458584 609365389 /nfs/dbraw/zinc/36/53/89/609365389.db2.gz WHDOHCZIXWZKFA-WDEREUQCSA-N -1 1 384.375 1.250 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C(=O)N1C[C@@H]2CCC[C@H]21 ZINC000826458642 609369992 /nfs/dbraw/zinc/36/99/92/609369992.db2.gz ZEQDQMYBYSCUSP-CMPLNLGQSA-N -1 1 396.386 1.141 20 0 GDADMM 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CCO[C@@H](CS(=O)(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C)C1CC1 ZINC000859213868 655769562 /nfs/dbraw/zinc/76/95/62/655769562.db2.gz ROWZYQNBNZXOFZ-RTXFEEFZSA-N -1 1 386.436 1.663 20 0 GDADMM O=C1CCc2cc(S(=O)(=O)NN=c3ncc(Cl)c[n-]3)cc3c2N1CC3 ZINC000863409888 655869648 /nfs/dbraw/zinc/86/96/48/655869648.db2.gz NQGZWUBYMQJZFA-UHFFFAOYSA-N -1 1 379.829 1.271 20 0 GDADMM COC(=O)[C@@H]1CCN(C(=O)c2ccc(I)cc2[O-])C1 ZINC000864937866 655908776 /nfs/dbraw/zinc/90/87/76/655908776.db2.gz XMDPFECKTHHMJF-MRVPVSSYSA-N -1 1 375.162 1.632 20 0 GDADMM COC(=O)N1CCN(C(=O)c2ccc(I)cc2[O-])CC1 ZINC000864948085 655908960 /nfs/dbraw/zinc/90/89/60/655908960.db2.gz HEEQXLBIGAPCRZ-UHFFFAOYSA-N -1 1 390.177 1.521 20 0 GDADMM Cn1nc(I)cc1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000864974628 655909493 /nfs/dbraw/zinc/90/94/93/655909493.db2.gz IYVPYBYLPWXQBQ-UHFFFAOYSA-N -1 1 386.075 1.414 20 0 GDADMM Cc1ccc(S(N)(=O)=O)c(N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000865817555 655927695 /nfs/dbraw/zinc/92/76/95/655927695.db2.gz 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CS(C)(=O)=NS(=O)(=O)[N-][C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000866790367 655963875 /nfs/dbraw/zinc/96/38/75/655963875.db2.gz RHLRYQIJZGUVRJ-CYBMUJFWSA-N -1 1 399.460 1.842 20 0 GDADMM CN(C)C(=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cnn(C)c2C(F)(F)F)C1 ZINC000866791669 655964087 /nfs/dbraw/zinc/96/40/87/655964087.db2.gz HOHQEWUKRCOEQB-NXEZZACHSA-N -1 1 382.408 1.364 20 0 GDADMM Cn1ncc(S(=O)(=O)[N-][C@@H](CO)c2cc(F)ccc2F)c1C(F)(F)F ZINC000866836165 655968552 /nfs/dbraw/zinc/96/85/52/655968552.db2.gz JDAXJHXSXHDXAQ-JTQLQIEISA-N -1 1 385.314 1.729 20 0 GDADMM Cn1ccc(N2CCC[C@@H]([N-]S(=O)(=O)c3ccc(Cl)nc3F)C2=O)n1 ZINC000866881178 655973139 /nfs/dbraw/zinc/97/31/39/655973139.db2.gz CSQCQDGHQDSXNB-SECBINFHSA-N -1 1 387.824 1.082 20 0 GDADMM Cn1ncc(S(=O)(=O)[N-]CCC(F)(F)F)c1I ZINC000866895262 655974851 /nfs/dbraw/zinc/97/48/51/655974851.db2.gz FSSAFLKWOSIXTE-UHFFFAOYSA-N -1 1 383.133 1.255 20 0 GDADMM CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)N=[S@@](C)(=O)c1ccccc1 ZINC000866940909 655979513 /nfs/dbraw/zinc/97/95/13/655979513.db2.gz ZNLHGUIZVMZAAA-FATZIPQQSA-N -1 1 377.532 1.335 20 0 GDADMM C[S@@](=O)(=NS(=O)(=O)[N-]CCCO[C@H]1CCOC1)c1ccccc1F ZINC000866948269 655980681 /nfs/dbraw/zinc/98/06/81/655980681.db2.gz HUGKSAZEEXDALA-MYODQAERSA-N -1 1 380.463 1.312 20 0 GDADMM CC[S@@](C)(=O)=NS(=O)(=O)[N-]Cc1ccc(C)cc1O[C@@H]1CCOC1 ZINC000866953812 655981210 /nfs/dbraw/zinc/98/12/10/655981210.db2.gz ACDLOGYDRMQHAY-QKFKETGDSA-N -1 1 376.500 1.615 20 0 GDADMM CC(C)N1CCC(O)(C[N-]S(=O)(=O)N=[S@@](C)(=O)c2ccccc2)CC1 ZINC000866960851 655981860 /nfs/dbraw/zinc/98/18/60/655981860.db2.gz UYORCJLHOWQNRN-DEOSSOPVSA-N -1 1 389.543 1.213 20 0 GDADMM Cn1ncc(S(=O)(=O)[N-][C@@H]2CCO[C@]3(CCSC3)C2)c1C(F)(F)F ZINC000866985361 655984206 /nfs/dbraw/zinc/98/42/06/655984206.db2.gz HGWJTEMTEZXDGE-BXKDBHETSA-N -1 1 385.433 1.772 20 0 GDADMM COc1ccccc1OC[C@H](C)C[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC000867030966 655989272 /nfs/dbraw/zinc/98/92/72/655989272.db2.gz NEHOVORIJJFMKC-CYBMUJFWSA-N -1 1 376.500 1.806 20 0 GDADMM O=C(c1ccc(I)cc1[O-])N1CCOC[C@@H]1CCO ZINC000867043975 655990690 /nfs/dbraw/zinc/99/06/90/655990690.db2.gz QWJMIOQDWCIWSO-JTQLQIEISA-N -1 1 377.178 1.220 20 0 GDADMM CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@H](CCO)c1ccccc1Br ZINC000867079831 655993917 /nfs/dbraw/zinc/99/39/17/655993917.db2.gz YQUDKXUWGRDSDD-MPBGBICISA-N -1 1 399.332 1.825 20 0 GDADMM CC(C)N1CCC[C@@H]([N-]S(=O)(=O)N=[S@](C)(=O)c2ccccc2F)C1 ZINC000867116712 655997381 /nfs/dbraw/zinc/99/73/81/655997381.db2.gz DHHFUDPAAJNGQH-JCQPUDPBSA-N -1 1 377.507 1.990 20 0 GDADMM CN(C)C(=O)NCCN(C)C(=O)c1ccc(I)cc1[O-] ZINC000867156838 656004106 /nfs/dbraw/zinc/00/41/06/656004106.db2.gz NSLSEFGMWYLGGT-UHFFFAOYSA-N -1 1 391.209 1.340 20 0 GDADMM CO[C@@H](CC[N-]S(=O)(=O)c1cnn(C)c1Br)C(F)(F)F ZINC000867163644 656005314 /nfs/dbraw/zinc/00/53/14/656005314.db2.gz CCTDWIKQRWWSLG-ZETCQYMHSA-N -1 1 380.186 1.428 20 0 GDADMM CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000867191634 656009463 /nfs/dbraw/zinc/00/94/63/656009463.db2.gz GUOABIYYJPMIDR-GJZGRUSLSA-N -1 1 378.491 1.634 20 0 GDADMM CS(C)(=O)=NS(=O)(=O)[N-][C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000867202666 656012380 /nfs/dbraw/zinc/01/23/80/656012380.db2.gz XIBRJHWKLDATSL-LLVKDONJSA-N -1 1 396.332 1.590 20 0 GDADMM CCS(=O)(CC)=NS(=O)(=O)[N-][C@H](CN(C)C)c1ccc(OC)cc1 ZINC000867245679 656021630 /nfs/dbraw/zinc/02/16/30/656021630.db2.gz QNZCFPZJKIZGQP-OAHLLOKOSA-N -1 1 377.532 1.640 20 0 GDADMM Cn1ncc(S(=O)(=O)[N-][C@@H]2COc3ccccc3[C@H]2O)c1C(F)(F)F ZINC000867275570 656029507 /nfs/dbraw/zinc/02/95/07/656029507.db2.gz WUEOBOYJRCZFON-BXKDBHETSA-N -1 1 377.344 1.212 20 0 GDADMM O=S(=O)([N-]C[C@@]1(CO)C[C@@H]1c1ccccc1)c1nc[nH]c1Br ZINC000867277133 656029813 /nfs/dbraw/zinc/02/98/13/656029813.db2.gz FYWLXZKIUNHIQF-BXUZGUMPSA-N -1 1 386.271 1.617 20 0 GDADMM CC[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1nc[nH]c1Br ZINC000867320470 656037748 /nfs/dbraw/zinc/03/77/48/656037748.db2.gz FVWAHHXBVPSCCQ-LURJTMIESA-N -1 1 380.186 1.808 20 0 GDADMM COC(=O)c1cc(F)c(Br)c(S(=O)(=O)[N-]C[C@H]2COCO2)c1 ZINC000867397648 656052233 /nfs/dbraw/zinc/05/22/33/656052233.db2.gz NODVAHXUJVCVQJ-QMMMGPOBSA-N -1 1 398.206 1.026 20 0 GDADMM CC1(C)[C@@H]([N-]S(=O)(=O)c2ccc(Br)o2)C[C@@H]1N1CCOCC1 ZINC000867451394 656063559 /nfs/dbraw/zinc/06/35/59/656063559.db2.gz FLAYDCDFEOWVHI-QWRGUYRKSA-N -1 1 393.303 1.820 20 0 GDADMM O=C(N1CCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(F)nc1F)C(F)(F)F ZINC000867450776 656063583 /nfs/dbraw/zinc/06/35/83/656063583.db2.gz WPVBFPLNPRPRDV-MRVPVSSYSA-N -1 1 387.330 1.582 20 0 GDADMM Cn1ncc(C2CC2)c1C[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1F ZINC000867515102 656074432 /nfs/dbraw/zinc/07/44/32/656074432.db2.gz ITERMUKYZAPJEP-DEOSSOPVSA-N -1 1 386.474 1.928 20 0 GDADMM C[C@@H](c1ccccc1)[C@H](O)C[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000867534092 656079243 /nfs/dbraw/zinc/07/92/43/656079243.db2.gz WMJHTCOZRAUAMW-CMPLNLGQSA-N -1 1 377.388 1.882 20 0 GDADMM Cn1ncc(S(=O)(=O)[N-]CC[C@@H]2CC2(F)F)c1I ZINC000867548453 656081544 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ICLXLBHNEJOCGH-GXFFZTMASA-N -1 1 375.252 1.940 20 0 GDADMM COC(OC)C(=O)N1CCN(C(=O)c2ccc(Br)cc2[O-])CC1 ZINC000912356463 660033690 /nfs/dbraw/zinc/03/36/90/660033690.db2.gz QTZZVJPLJWFAMU-UHFFFAOYSA-N -1 1 387.230 1.058 20 0 GDADMM C[C@@H]1CCN(C(=O)CN2CSCCSC2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000912732375 660050665 /nfs/dbraw/zinc/05/06/65/660050665.db2.gz AESVOZIKQUZIRT-MNOVXSKESA-N -1 1 385.477 1.599 20 0 GDADMM O=C(c1cccc([N-]S(=O)(=O)C(F)(F)F)c1)N1CC[C@@H](N2CCC2)C1 ZINC000912911707 660059392 /nfs/dbraw/zinc/05/93/92/660059392.db2.gz NKKIZLDXMPKCCO-CYBMUJFWSA-N -1 1 377.388 1.868 20 0 GDADMM CSc1cc(C(=O)N2CCOC[C@H]2c2nn[n-]n2)ccc1Br ZINC000913493869 660082410 /nfs/dbraw/zinc/08/24/10/660082410.db2.gz LMLJENFVDUXPHC-JTQLQIEISA-N -1 1 384.259 1.898 20 0 GDADMM O=C(c1cc2c(Br)cccc2cn1)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913497890 660083664 /nfs/dbraw/zinc/08/36/64/660083664.db2.gz MGILZRUTAXPWQW-ZDUSSCGKSA-N -1 1 389.213 1.724 20 0 GDADMM O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913499587 660084249 /nfs/dbraw/zinc/08/42/49/660084249.db2.gz WMXZYAQAECONJB-XQQFMLRXSA-N -1 1 378.230 1.666 20 0 GDADMM CCCNC(=O)C[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000913858186 660100664 /nfs/dbraw/zinc/10/06/64/660100664.db2.gz HOFNPAJHXKZALI-UHFFFAOYSA-N -1 1 383.239 1.401 20 0 GDADMM COC(=O)c1ccsc1N1CC[C@@H]([N-]S(=O)(=O)CC2(F)CCC2)C1=O ZINC000914214928 660128056 /nfs/dbraw/zinc/12/80/56/660128056.db2.gz XRKKJBUAELHSPB-LLVKDONJSA-N -1 1 390.458 1.452 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2C(=O)NCC[C@H]2C)c1F ZINC000915225573 660164941 /nfs/dbraw/zinc/16/49/41/660164941.db2.gz NDQCSZTXMQWBPG-RDDDGLTNSA-N -1 1 395.250 1.400 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CCC(=O)N[C@H]2C)c1F ZINC000915226848 660165199 /nfs/dbraw/zinc/16/51/99/660165199.db2.gz ZXKXAGCJTFCHQF-IONNQARKSA-N -1 1 395.250 1.542 20 0 GDADMM CN1CCO[C@H]2CN(c3ncccc3S(=O)(=O)[N-]c3cccc(F)c3)C[C@H]21 ZINC001164667050 719463224 /nfs/dbraw/zinc/46/32/24/719463224.db2.gz IIGNPTQHVSONBB-CVEARBPZSA-N -1 1 392.456 1.541 20 0 GDADMM O=C([O-])Cc1nccnc1N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164961530 722059496 /nfs/dbraw/zinc/05/94/96/722059496.db2.gz LJCYASBRPWETCY-UHFFFAOYSA-N -1 1 397.479 1.618 20 0 GDADMM CN1CCN(c2cc(CNC(=O)N[C@H](C(=O)[O-])c3ccccc3)ccn2)CC1 ZINC000780432022 939120287 /nfs/dbraw/zinc/12/02/87/939120287.db2.gz JLOHMWOWNLYZIZ-SFHVURJKSA-N -1 1 383.452 1.459 20 0 GDADMM CCN1CCN(c2ccc(CNC(=O)N[C@@](C)(C(=O)[O-])C3CC3)cn2)CC1 ZINC000780433556 939121012 /nfs/dbraw/zinc/12/10/12/939121012.db2.gz WCFXWPLITVSMQI-LJQANCHMSA-N -1 1 375.473 1.276 20 0 GDADMM O=C([O-])[C@H](NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)[C@H]1CCCOC1 ZINC000908775020 939319883 /nfs/dbraw/zinc/31/98/83/939319883.db2.gz AWPMTQIDYXKHMC-MAUKXSAKSA-N -1 1 393.459 1.969 20 0 GDADMM C[C@H](CNC(=O)N[C@H](C(=O)[O-])[C@@H]1CCCOC1)N1CCc2ccccc2C1 ZINC000908914409 939351322 /nfs/dbraw/zinc/35/13/22/939351322.db2.gz WPNPDACXWPBVDA-OLMNPRSZSA-N -1 1 375.469 1.612 20 0 GDADMM COc1cccc([C@H](NC(=O)C2CCC(N3CCOCC3)CC2)C(=O)[O-])c1 ZINC000909947049 939745938 /nfs/dbraw/zinc/74/59/38/939745938.db2.gz IOHOCTASXMULCR-PVARCSIZSA-N -1 1 376.453 1.828 20 0 GDADMM Cn1nc(C(=O)[O-])cc1C(=O)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC001601002161 970904068 /nfs/dbraw/zinc/90/40/68/970904068.db2.gz ZAXLJXBEPPJOPG-UHFFFAOYSA-N -1 1 391.185 1.918 20 0 GDADMM NC(=O)c1c(NC(=O)CN2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)sc2c1CCC2 ZINC001601161180 970946894 /nfs/dbraw/zinc/94/68/94/970946894.db2.gz GWUDQAWTOQRXSR-NWDGAFQWSA-N -1 1 377.466 1.317 20 0 GDADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(-c4nn[nH]n4)cc3)cc2C[C@@H]1C ZINC000368851156 944630982 /nfs/dbraw/zinc/63/09/82/944630982.db2.gz ONBSEOSQFXCNSO-NSHDSACASA-N -1 1 398.448 1.965 20 0 GDADMM CCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)cc1 ZINC000736578453 944846752 /nfs/dbraw/zinc/84/67/52/944846752.db2.gz VSTPFPNKKJWFOU-UHFFFAOYSA-N -1 1 386.437 1.726 20 0 GDADMM CCc1ncc(C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)s1 ZINC001571261127 945422889 /nfs/dbraw/zinc/42/28/89/945422889.db2.gz ARNCLDRPSLJZTQ-JTQLQIEISA-N -1 1 385.457 1.074 20 0 GDADMM CCc1ncc(C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)s1 ZINC001571261127 945422896 /nfs/dbraw/zinc/42/28/96/945422896.db2.gz ARNCLDRPSLJZTQ-JTQLQIEISA-N -1 1 385.457 1.074 20 0 GDADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1CCN(C(=O)c2ccns2)CC1 ZINC001571261817 945431393 /nfs/dbraw/zinc/43/13/93/945431393.db2.gz JHAAGSLPTVBMPZ-SNVBAGLBSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CCN(C(=O)c2ccns2)CC1 ZINC001571261817 945431402 /nfs/dbraw/zinc/43/14/02/945431402.db2.gz JHAAGSLPTVBMPZ-SNVBAGLBSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H](NC(=O)c1cscn1)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571262830 945443583 /nfs/dbraw/zinc/44/35/83/945443583.db2.gz ZPKWIELQAZBVHP-JTQLQIEISA-N -1 1 385.457 1.148 20 0 GDADMM C[C@H](NC(=O)c1cscn1)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571262830 945443592 /nfs/dbraw/zinc/44/35/92/945443592.db2.gz ZPKWIELQAZBVHP-JTQLQIEISA-N -1 1 385.457 1.148 20 0 GDADMM Cc1ncsc1C(=O)N1C[C@@H](CNc2nccnc2-c2nnn[n-]2)[C@H](C)C1 ZINC001571262937 945445476 /nfs/dbraw/zinc/44/54/76/945445476.db2.gz CRVWBGGGKDHPBU-MWLCHTKSSA-N -1 1 385.457 1.242 20 0 GDADMM Cc1ncsc1C(=O)N1C[C@@H](CNc2nccnc2-c2nn[n-]n2)[C@H](C)C1 ZINC001571262937 945445484 /nfs/dbraw/zinc/44/54/84/945445484.db2.gz CRVWBGGGKDHPBU-MWLCHTKSSA-N -1 1 385.457 1.242 20 0 GDADMM Cc1nsc(NC2(C)CCN(C(=O)c3cccnn3)CC2)c1-c1nn[n-]n1 ZINC001571263028 945448304 /nfs/dbraw/zinc/44/83/04/945448304.db2.gz GBKYWFVXUUMBBG-UHFFFAOYSA-N -1 1 385.457 1.528 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCN(C(=O)Cc3cscn3)C2)n1 ZINC001571263289 945456030 /nfs/dbraw/zinc/45/60/30/945456030.db2.gz MDOWCZLKVATENO-LLVKDONJSA-N -1 1 385.457 1.067 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCN(C(=O)Cc3cscn3)C2)n1 ZINC001571263289 945456034 /nfs/dbraw/zinc/45/60/34/945456034.db2.gz MDOWCZLKVATENO-LLVKDONJSA-N -1 1 385.457 1.067 20 0 GDADMM Cc1nsc(NC[C@@H]2CC[C@@H](NC(=O)c3cccnn3)C2)c1-c1nn[n-]n1 ZINC001571263656 945462898 /nfs/dbraw/zinc/46/28/98/945462898.db2.gz VXHJFXNAMJZUON-GHMZBOCLSA-N -1 1 385.457 1.432 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cncc(Cl)c1 ZINC001571265583 945514173 /nfs/dbraw/zinc/51/41/73/945514173.db2.gz MAUFMZJUYUGBGO-BXKDBHETSA-N -1 1 385.819 1.420 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cncc(Cl)c1 ZINC001571265583 945514183 /nfs/dbraw/zinc/51/41/83/945514183.db2.gz MAUFMZJUYUGBGO-BXKDBHETSA-N -1 1 385.819 1.420 20 0 GDADMM CC(C)(F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001571265626 945515401 /nfs/dbraw/zinc/51/54/01/945515401.db2.gz NBNMCRUBSIGOCW-PRJMDXOYSA-N -1 1 385.856 1.951 20 0 GDADMM CC(C)(F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001571265626 945515412 /nfs/dbraw/zinc/51/54/12/945515412.db2.gz NBNMCRUBSIGOCW-PRJMDXOYSA-N -1 1 385.856 1.951 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(Cl)cn2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571265623 945516143 /nfs/dbraw/zinc/51/61/43/945516143.db2.gz NARHLNVESLVSMQ-RNCFNFMXSA-N -1 1 385.819 1.278 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(Cl)cn2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571265623 945516148 /nfs/dbraw/zinc/51/61/48/945516148.db2.gz NARHLNVESLVSMQ-RNCFNFMXSA-N -1 1 385.819 1.278 20 0 GDADMM CC[C@H](OC)C(=O)N1CC[C@@H](N(C)c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571266111 945531395 /nfs/dbraw/zinc/53/13/95/945531395.db2.gz WKQNPBOXRNNTLH-BDAKNGLRSA-N -1 1 385.881 1.439 20 0 GDADMM CN(C(=O)c1ccc(F)c(F)c1)C1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571266972 945559779 /nfs/dbraw/zinc/55/97/79/945559779.db2.gz DWVPSDMCABJPRS-UHFFFAOYSA-N -1 1 386.366 1.650 20 0 GDADMM CN(C(=O)c1ccc(F)c(F)c1)C1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571266972 945559790 /nfs/dbraw/zinc/55/97/90/945559790.db2.gz DWVPSDMCABJPRS-UHFFFAOYSA-N -1 1 386.366 1.650 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@H](NC(=O)c3cc(F)cc(F)c3)C2)n1 ZINC001571267123 945562776 /nfs/dbraw/zinc/56/27/76/945562776.db2.gz KBXLLTCTMXCIBP-JOCQHMNTSA-N -1 1 386.366 1.616 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@H](NC(=O)c3cc(F)cc(F)c3)C2)n1 ZINC001571267123 945562779 /nfs/dbraw/zinc/56/27/79/945562779.db2.gz KBXLLTCTMXCIBP-JOCQHMNTSA-N -1 1 386.366 1.616 20 0 GDADMM C[C@@H]1CN(C(=O)c2cccc(F)c2F)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571267203 945564648 /nfs/dbraw/zinc/56/46/48/945564648.db2.gz MHCFTAMYRGCLNR-RNCFNFMXSA-N -1 1 386.366 1.508 20 0 GDADMM C[C@@H]1CN(C(=O)c2cccc(F)c2F)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571267203 945564653 /nfs/dbraw/zinc/56/46/53/945564653.db2.gz MHCFTAMYRGCLNR-RNCFNFMXSA-N -1 1 386.366 1.508 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1)c1cc(F)ccc1F ZINC001571267491 945571675 /nfs/dbraw/zinc/57/16/75/945571675.db2.gz WXMBMENYGLBDQC-HOMQSWHASA-N -1 1 386.366 1.555 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1)c1cc(F)ccc1F ZINC001571267491 945571681 /nfs/dbraw/zinc/57/16/81/945571681.db2.gz WXMBMENYGLBDQC-HOMQSWHASA-N -1 1 386.366 1.555 20 0 GDADMM CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC000820862610 945576127 /nfs/dbraw/zinc/57/61/27/945576127.db2.gz QVCQFVGROQITOS-LLVKDONJSA-N -1 1 397.443 1.907 20 0 GDADMM CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC000820862610 945576132 /nfs/dbraw/zinc/57/61/32/945576132.db2.gz QVCQFVGROQITOS-LLVKDONJSA-N -1 1 397.443 1.907 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H]1CCCCN1C(=O)c1n[nH]cc1F ZINC001571268790 945603718 /nfs/dbraw/zinc/60/37/18/945603718.db2.gz XFNCBRJOHMUEAP-MWLCHTKSSA-N -1 1 386.395 1.014 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H]1CCCCN1C(=O)c1n[nH]cc1F ZINC001571268790 945603721 /nfs/dbraw/zinc/60/37/21/945603721.db2.gz XFNCBRJOHMUEAP-MWLCHTKSSA-N -1 1 386.395 1.014 20 0 GDADMM COc1csc(C(=O)N2C[C@@H](C)[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571269896 945626911 /nfs/dbraw/zinc/62/69/11/945626911.db2.gz HFCSVITXMAQSTC-BXKDBHETSA-N -1 1 386.441 1.299 20 0 GDADMM COc1csc(C(=O)N2C[C@@H](C)[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571269896 945626916 /nfs/dbraw/zinc/62/69/16/945626916.db2.gz HFCSVITXMAQSTC-BXKDBHETSA-N -1 1 386.441 1.299 20 0 GDADMM COCc1csc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571270258 945632704 /nfs/dbraw/zinc/63/27/04/945632704.db2.gz OKYBKGYRSLWZBU-XYPYZODXSA-N -1 1 386.441 1.238 20 0 GDADMM COCc1csc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571270258 945632708 /nfs/dbraw/zinc/63/27/08/945632708.db2.gz OKYBKGYRSLWZBU-XYPYZODXSA-N -1 1 386.441 1.238 20 0 GDADMM O=C(CC[C@H]1CCOC1)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571272190 945656596 /nfs/dbraw/zinc/65/65/96/945656596.db2.gz ATVMBDRZDWFFRM-UONOGXRCSA-N -1 1 386.460 1.266 20 0 GDADMM O=C(CC[C@H]1CCOC1)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571272190 945656602 /nfs/dbraw/zinc/65/66/02/945656602.db2.gz ATVMBDRZDWFFRM-UONOGXRCSA-N -1 1 386.460 1.266 20 0 GDADMM O=C(NC1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1)[C@@H]1CCCOCC1 ZINC001571272171 945656637 /nfs/dbraw/zinc/65/66/37/945656637.db2.gz ABSFFLQNDJZYNL-IYXRBSQSSA-N -1 1 386.460 1.313 20 0 GDADMM O=C(NC1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1)[C@@H]1CCCOCC1 ZINC001571272171 945656641 /nfs/dbraw/zinc/65/66/41/945656641.db2.gz ABSFFLQNDJZYNL-IYXRBSQSSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H]1CN(C(=O)CC[C@@H]2CCCCO2)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571273153 945679357 /nfs/dbraw/zinc/67/93/57/945679357.db2.gz QSGKCJKOHHSVET-HZSPNIEDSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H]1CN(C(=O)CC[C@@H]2CCCCO2)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571273153 945679360 /nfs/dbraw/zinc/67/93/60/945679360.db2.gz QSGKCJKOHHSVET-HZSPNIEDSA-N -1 1 386.460 1.265 20 0 GDADMM CCc1nc(NCC2CCN(C(=O)[C@H]3CCCO3)CC2)cc(-c2nnn[n-]2)n1 ZINC001571273183 945681855 /nfs/dbraw/zinc/68/18/55/945681855.db2.gz RYEDHLXHXXSFFL-CQSZACIVSA-N -1 1 386.460 1.049 20 0 GDADMM CCc1nc(NCC2CCN(C(=O)[C@H]3CCCO3)CC2)cc(-c2nn[n-]n2)n1 ZINC001571273183 945681858 /nfs/dbraw/zinc/68/18/58/945681858.db2.gz RYEDHLXHXXSFFL-CQSZACIVSA-N -1 1 386.460 1.049 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CN(C(=O)C[C@H](C)C3CC3)CCO2)n1 ZINC001571273479 945690188 /nfs/dbraw/zinc/69/01/88/945690188.db2.gz YBDPXWWIGGVKRX-SMDDNHRTSA-N -1 1 386.460 1.041 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CN(C(=O)C[C@H](C)C3CC3)CCO2)n1 ZINC001571273479 945690201 /nfs/dbraw/zinc/69/02/01/945690201.db2.gz YBDPXWWIGGVKRX-SMDDNHRTSA-N -1 1 386.460 1.041 20 0 GDADMM CC1(C)CO[C@@H](CC(=O)N2CC[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571275788 945715428 /nfs/dbraw/zinc/71/54/28/945715428.db2.gz CFUBMKWEXKLSQO-STQMWFEESA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CO[C@@H](CC(=O)N2CC[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571275788 945715436 /nfs/dbraw/zinc/71/54/36/945715436.db2.gz CFUBMKWEXKLSQO-STQMWFEESA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CN(C(=O)[C@@]2(C)CCCOC2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571275865 945718766 /nfs/dbraw/zinc/71/87/66/945718766.db2.gz DKZPRBZBQRFYIG-ACJLOTCBSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CN(C(=O)[C@@]2(C)CCCOC2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571275865 945718769 /nfs/dbraw/zinc/71/87/69/945718769.db2.gz DKZPRBZBQRFYIG-ACJLOTCBSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](C(=O)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C1CCCC1 ZINC001571276130 945726104 /nfs/dbraw/zinc/72/61/04/945726104.db2.gz HUHPFVRFRCJFMH-TZMCWYRMSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](C(=O)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C1CCCC1 ZINC001571276130 945726115 /nfs/dbraw/zinc/72/61/15/945726115.db2.gz HUHPFVRFRCJFMH-TZMCWYRMSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H]1C[C@@H](C(=O)N[C@H]2CC[C@H](CNc3cncc(-c4nnn[n-]4)n3)CC2)CO1 ZINC001571276595 945732756 /nfs/dbraw/zinc/73/27/56/945732756.db2.gz JKSNXGKOBOVCEL-AAVRWANBSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@@H]1C[C@@H](C(=O)N[C@H]2CC[C@H](CNc3cncc(-c4nn[n-]n4)n3)CC2)CO1 ZINC001571276595 945732760 /nfs/dbraw/zinc/73/27/60/945732760.db2.gz JKSNXGKOBOVCEL-AAVRWANBSA-N -1 1 386.460 1.169 20 0 GDADMM CC(=O)c1ccc2c(c1)CN(S(=O)(=O)c1ccc(-c3nn[n-]n3)c(F)c1)C2 ZINC001571277045 945739683 /nfs/dbraw/zinc/73/96/83/945739683.db2.gz NRCOOKDIFBUISR-UHFFFAOYSA-N -1 1 387.396 1.913 20 0 GDADMM CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001573450567 945826410 /nfs/dbraw/zinc/82/64/10/945826410.db2.gz KOEQDXFHPFDNOX-GOSISDBHSA-N -1 1 391.435 1.414 20 0 GDADMM CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001573450567 945826430 /nfs/dbraw/zinc/82/64/30/945826430.db2.gz KOEQDXFHPFDNOX-GOSISDBHSA-N -1 1 391.435 1.414 20 0 GDADMM CC(=O)N1CCOC2(CCN(c3nc(-c4nn[n-]n4)c(Cl)s3)CC2)C1 ZINC001573451298 945837031 /nfs/dbraw/zinc/83/70/31/945837031.db2.gz SPXAWQTZIXDLEM-UHFFFAOYSA-N -1 1 383.865 1.194 20 0 GDADMM CC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573452382 945850011 /nfs/dbraw/zinc/85/00/11/945850011.db2.gz DMVMJNLRLOBORT-PHDIDXHHSA-N -1 1 381.771 1.798 20 0 GDADMM CC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573454572 945880465 /nfs/dbraw/zinc/88/04/65/945880465.db2.gz ZQXAMFZFBUHBNW-PHDIDXHHSA-N -1 1 381.771 1.798 20 0 GDADMM CC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573454572 945880478 /nfs/dbraw/zinc/88/04/78/945880478.db2.gz ZQXAMFZFBUHBNW-PHDIDXHHSA-N -1 1 381.771 1.798 20 0 GDADMM C[C@@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cc(Cl)c[nH]1 ZINC001571284376 945900110 /nfs/dbraw/zinc/90/01/10/945900110.db2.gz PDRMYTXNHWCHRA-KOLCDFICSA-N -1 1 387.835 1.743 20 0 GDADMM C[C@@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(Cl)c[nH]1 ZINC001571284376 945900120 /nfs/dbraw/zinc/90/01/20/945900120.db2.gz PDRMYTXNHWCHRA-KOLCDFICSA-N -1 1 387.835 1.743 20 0 GDADMM O=C(NC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cc(Cl)c[nH]1 ZINC001571285925 945932905 /nfs/dbraw/zinc/93/29/05/945932905.db2.gz RLDBVOLVRKKVDU-SNVBAGLBSA-N -1 1 387.835 1.285 20 0 GDADMM O=C(NC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cc(Cl)c[nH]1 ZINC001571285925 945932910 /nfs/dbraw/zinc/93/29/10/945932910.db2.gz RLDBVOLVRKKVDU-SNVBAGLBSA-N -1 1 387.835 1.285 20 0 GDADMM COc1cc(NC(=O)CNC(=O)c2ccsc2-c2nnn[n-]2)cc(OC)c1 ZINC001571286425 945948046 /nfs/dbraw/zinc/94/80/46/945948046.db2.gz HKGSJBSCWCNTQE-UHFFFAOYSA-N -1 1 388.409 1.314 20 0 GDADMM COc1cc(NC(=O)CNC(=O)c2ccsc2-c2nn[n-]n2)cc(OC)c1 ZINC001571286425 945948052 /nfs/dbraw/zinc/94/80/52/945948052.db2.gz HKGSJBSCWCNTQE-UHFFFAOYSA-N -1 1 388.409 1.314 20 0 GDADMM COc1ncc(NC(=O)NCCC(=O)N2CCCCCC2)cc1-c1nn[n-]n1 ZINC001571286598 945952946 /nfs/dbraw/zinc/95/29/46/945952946.db2.gz LWEUDGAFKWMIEN-UHFFFAOYSA-N -1 1 388.432 1.185 20 0 GDADMM Cc1nsc(N[C@@H]2CCN(C(=O)c3cncc(F)c3)[C@@H]2C)c1-c1nn[n-]n1 ZINC001571286991 945965207 /nfs/dbraw/zinc/96/52/07/945965207.db2.gz XPMZJTRNGXZOQF-BXKDBHETSA-N -1 1 388.432 1.881 20 0 GDADMM Cc1ncoc1C(=O)N1CC[C@@H](CCNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571289407 946004276 /nfs/dbraw/zinc/00/42/76/946004276.db2.gz BWRAAOINNIBOLO-LLVKDONJSA-N -1 1 388.457 1.892 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)C3CCC(F)CC3)C2)cc(-c2nnn[n-]2)n1 ZINC001571289614 946012258 /nfs/dbraw/zinc/01/22/58/946012258.db2.gz IRTUYFYYDNCWJM-WXRRBKDZSA-N -1 1 388.451 1.760 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)C3CCC(F)CC3)C2)cc(-c2nn[n-]n2)n1 ZINC001571289614 946012271 /nfs/dbraw/zinc/01/22/71/946012271.db2.gz IRTUYFYYDNCWJM-WXRRBKDZSA-N -1 1 388.451 1.760 20 0 GDADMM O=C([C@H](F)CC1CCCCC1)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571289825 946021085 /nfs/dbraw/zinc/02/10/85/946021085.db2.gz NETXDAJLJZOFKB-UONOGXRCSA-N -1 1 388.451 1.978 20 0 GDADMM O=C([C@H](F)CC1CCCCC1)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571289825 946021093 /nfs/dbraw/zinc/02/10/93/946021093.db2.gz NETXDAJLJZOFKB-UONOGXRCSA-N -1 1 388.451 1.978 20 0 GDADMM O=C(C1CCC(F)CC1)N1CC[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571290203 946031692 /nfs/dbraw/zinc/03/16/92/946031692.db2.gz XOJXDXOPAADQJZ-HSBZDZAISA-N -1 1 388.451 1.257 20 0 GDADMM CS[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571290685 946049454 /nfs/dbraw/zinc/04/94/54/946049454.db2.gz LWMJBORXAPKMML-PEBVRCNWSA-N -1 1 388.501 1.449 20 0 GDADMM CS[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571290685 946049467 /nfs/dbraw/zinc/04/94/67/946049467.db2.gz LWMJBORXAPKMML-PEBVRCNWSA-N -1 1 388.501 1.449 20 0 GDADMM COc1cc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)ccc1Br ZINC001571290840 946056923 /nfs/dbraw/zinc/05/69/23/946056923.db2.gz QMZLETUNCMBJOV-UHFFFAOYSA-N -1 1 389.213 1.963 20 0 GDADMM COc1cc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)ccc1Br ZINC001571290840 946056937 /nfs/dbraw/zinc/05/69/37/946056937.db2.gz QMZLETUNCMBJOV-UHFFFAOYSA-N -1 1 389.213 1.963 20 0 GDADMM Cc1noc(C)c1N(C)C(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000822458942 946094554 /nfs/dbraw/zinc/09/45/54/946094554.db2.gz JXAWGSUPBMKBQQ-UHFFFAOYSA-N -1 1 395.427 1.727 20 0 GDADMM Cc1noc(C)c1N(C)C(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000822458942 946094567 /nfs/dbraw/zinc/09/45/67/946094567.db2.gz JXAWGSUPBMKBQQ-UHFFFAOYSA-N -1 1 395.427 1.727 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCC2(Cc3ccccc3)CCC2)n(C)c1=O ZINC000822600013 946134103 /nfs/dbraw/zinc/13/41/03/946134103.db2.gz ILEBJWRLKOTYIC-UHFFFAOYSA-N -1 1 381.440 1.089 20 0 GDADMM Cc1nsc(N2C[C@@H](C)[C@H](NC(=O)Cc3cccs3)C2)c1-c1nn[n-]n1 ZINC001571294998 946151038 /nfs/dbraw/zinc/15/10/38/946151038.db2.gz NBXVBKGUKGTYMI-BXKDBHETSA-N -1 1 389.510 1.877 20 0 GDADMM O=C(c1cc(Cl)no1)N1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571295386 946162207 /nfs/dbraw/zinc/16/22/07/946162207.db2.gz ZHTKWHRQPNEENL-VIFPVBQESA-N -1 1 389.807 1.405 20 0 GDADMM O=C(c1cc(Cl)no1)N1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571295386 946162213 /nfs/dbraw/zinc/16/22/13/946162213.db2.gz ZHTKWHRQPNEENL-VIFPVBQESA-N -1 1 389.807 1.405 20 0 GDADMM O=C(c1ccccc1)N1CCC[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001571298305 946213387 /nfs/dbraw/zinc/21/33/87/946213387.db2.gz MZNQSYVWMMQKBK-HXUWFJFHSA-N -1 1 390.451 1.789 20 0 GDADMM O=C(c1ccccc1)N1CCC[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001571298305 946213394 /nfs/dbraw/zinc/21/33/94/946213394.db2.gz MZNQSYVWMMQKBK-HXUWFJFHSA-N -1 1 390.451 1.789 20 0 GDADMM CN(C(=O)c1cccnc1)[C@@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571298564 946221599 /nfs/dbraw/zinc/22/15/99/946221599.db2.gz AXFVGLHLQLLXPV-SNVBAGLBSA-N -1 1 390.860 1.723 20 0 GDADMM CN(C(=O)c1cccnc1)[C@@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571298564 946221608 /nfs/dbraw/zinc/22/16/08/946221608.db2.gz AXFVGLHLQLLXPV-SNVBAGLBSA-N -1 1 390.860 1.723 20 0 GDADMM Cn1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nc(-c3nn[n-]n3)c(Cl)s2)c1 ZINC001571299023 946237123 /nfs/dbraw/zinc/23/71/23/946237123.db2.gz HCPJNFNYVQZXIB-UWVGGRQHSA-N -1 1 390.860 1.418 20 0 GDADMM C[C@@H]1CN(C(=O)[C@H]2Cc3ccccc32)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571299556 946254873 /nfs/dbraw/zinc/25/48/73/946254873.db2.gz TYDDJAVEGHTERE-XPKDYRNWSA-N -1 1 390.451 1.503 20 0 GDADMM C[C@@H]1CN(C(=O)[C@H]2Cc3ccccc32)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571299556 946254880 /nfs/dbraw/zinc/25/48/80/946254880.db2.gz TYDDJAVEGHTERE-XPKDYRNWSA-N -1 1 390.451 1.503 20 0 GDADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@H]1CCN(C(=O)c2ccc(C3CC3)cc2)C1 ZINC001571299977 946268114 /nfs/dbraw/zinc/26/81/14/946268114.db2.gz XBERKIOOUXNJRZ-INIZCTEOSA-N -1 1 390.451 1.885 20 0 GDADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)c2ccc(C3CC3)cc2)C1 ZINC001571299977 946268121 /nfs/dbraw/zinc/26/81/21/946268121.db2.gz XBERKIOOUXNJRZ-INIZCTEOSA-N -1 1 390.451 1.885 20 0 GDADMM C[C@]1(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)C[C@@H]1c1ccccc1 ZINC001571299987 946269070 /nfs/dbraw/zinc/26/90/70/946269070.db2.gz XLOQILKOAQAHSW-SXGZJXTBSA-N -1 1 390.451 1.863 20 0 GDADMM C[C@]1(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)C[C@@H]1c1ccccc1 ZINC001571299987 946269083 /nfs/dbraw/zinc/26/90/83/946269083.db2.gz XLOQILKOAQAHSW-SXGZJXTBSA-N -1 1 390.451 1.863 20 0 GDADMM C[C@@H]1CN(C(=O)C2(c3ccccc3)CC2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571300019 946270504 /nfs/dbraw/zinc/27/05/04/946270504.db2.gz YECFCYNJSKBMBG-CZUORRHYSA-N -1 1 390.451 1.647 20 0 GDADMM C[C@@H]1CN(C(=O)C2(c3ccccc3)CC2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571300019 946270516 /nfs/dbraw/zinc/27/05/16/946270516.db2.gz YECFCYNJSKBMBG-CZUORRHYSA-N -1 1 390.451 1.647 20 0 GDADMM CS[C@@H](C)C(=O)N1CCCC[C@H]1CCNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001571300225 946277428 /nfs/dbraw/zinc/27/74/28/946277428.db2.gz XJBXNCUCJKSFEF-STQMWFEESA-N -1 1 390.517 1.900 20 0 GDADMM CS[C@@H](C)C(=O)N1CCCC[C@H]1CCNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001571300225 946277439 /nfs/dbraw/zinc/27/74/39/946277439.db2.gz XJBXNCUCJKSFEF-STQMWFEESA-N -1 1 390.517 1.900 20 0 GDADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(Cl)s1 ZINC001571300285 946278590 /nfs/dbraw/zinc/27/85/90/946278590.db2.gz YVFWAGMVAQGZKM-DTWKUNHWSA-N -1 1 390.860 1.509 20 0 GDADMM Cc1noc(C(F)F)c1C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571301794 946282577 /nfs/dbraw/zinc/28/25/77/946282577.db2.gz DOEDGZUDDMDJDP-QMMMGPOBSA-N -1 1 391.342 1.217 20 0 GDADMM Cc1noc(C(F)F)c1C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571301794 946282581 /nfs/dbraw/zinc/28/25/81/946282581.db2.gz DOEDGZUDDMDJDP-QMMMGPOBSA-N -1 1 391.342 1.217 20 0 GDADMM CC(=O)NC1(c2ccc(OS(=O)(=O)c3ccc(-c4nn[n-]n4)o3)cc2)CC1 ZINC001573492045 946289590 /nfs/dbraw/zinc/28/95/90/946289590.db2.gz CCJQLYCMNMRTJQ-UHFFFAOYSA-N -1 1 389.393 1.353 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@H]3CN(c4nc(C)cc(-c5nnn[n-]5)n4)C[C@H]32)n1 ZINC001571303253 946328139 /nfs/dbraw/zinc/32/81/39/946328139.db2.gz MRCHQBKAXBOPOU-XJKSGUPXSA-N -1 1 391.439 1.019 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@H]3CN(c4nc(C)cc(-c5nn[n-]n5)n4)C[C@H]32)n1 ZINC001571303253 946328149 /nfs/dbraw/zinc/32/81/49/946328149.db2.gz MRCHQBKAXBOPOU-XJKSGUPXSA-N -1 1 391.439 1.019 20 0 GDADMM CC[C@H](C(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1)N(C)C(=O)OC(C)(C)C ZINC001571303336 946330742 /nfs/dbraw/zinc/33/07/42/946330742.db2.gz KQUZYFRNFBJJEB-GFCCVEGCSA-N -1 1 391.432 1.854 20 0 GDADMM Cc1nsc(N[C@@H]2CCC[C@@H](NC(=O)c3n[nH]cc3F)C2)c1-c1nn[n-]n1 ZINC001571303442 946336603 /nfs/dbraw/zinc/33/66/03/946336603.db2.gz LSYAFNGUSPQYTQ-RKDXNWHRSA-N -1 1 391.436 1.647 20 0 GDADMM Cc1nsc(N[C@H]2CCC[C@H](NC(=O)c3n[nH]cc3F)C2)c1-c1nn[n-]n1 ZINC001571303439 946337087 /nfs/dbraw/zinc/33/70/87/946337087.db2.gz LSYAFNGUSPQYTQ-IUCAKERBSA-N -1 1 391.436 1.647 20 0 GDADMM Cc1nsc(N2CCOC[C@@H]2CNC(=O)[C@@H]2CCC2(C)C)c1-c1nn[n-]n1 ZINC001571305491 946364586 /nfs/dbraw/zinc/36/45/86/946364586.db2.gz CKRCRJNOKHQXKU-RYUDHWBXSA-N -1 1 391.501 1.389 20 0 GDADMM O=C(NC[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1)c1cncnc1 ZINC001571305523 946366174 /nfs/dbraw/zinc/36/61/74/946366174.db2.gz CZCUAVGEGSJGDY-QMMMGPOBSA-N -1 1 391.848 1.023 20 0 GDADMM O=C(NC[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1)c1cncnc1 ZINC001571305523 946366189 /nfs/dbraw/zinc/36/61/89/946366189.db2.gz CZCUAVGEGSJGDY-QMMMGPOBSA-N -1 1 391.848 1.023 20 0 GDADMM C[C@@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)CN1C(=O)c1csc(Cl)n1 ZINC001571305577 946367441 /nfs/dbraw/zinc/36/74/41/946367441.db2.gz GDEPXSVPKAJHCS-HTQZYQBOSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)CN1C(=O)c1csc(Cl)n1 ZINC001571305577 946367455 /nfs/dbraw/zinc/36/74/55/946367455.db2.gz GDEPXSVPKAJHCS-HTQZYQBOSA-N -1 1 391.848 1.482 20 0 GDADMM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(Cl)c(-c2nnn[n-]2)s1)c1cn[nH]c1 ZINC001571305534 946367565 /nfs/dbraw/zinc/36/75/65/946367565.db2.gz DMIXNAMNJKOPFT-VGMNWLOBSA-N -1 1 391.848 1.239 20 0 GDADMM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(Cl)c(-c2nn[n-]n2)s1)c1cn[nH]c1 ZINC001571305534 946367579 /nfs/dbraw/zinc/36/75/79/946367579.db2.gz DMIXNAMNJKOPFT-VGMNWLOBSA-N -1 1 391.848 1.239 20 0 GDADMM CC[C@@H](OC)C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1snc(C)c1-c1nn[n-]n1 ZINC001571306068 946384263 /nfs/dbraw/zinc/38/42/63/946384263.db2.gz OXGRGCNMFLVQAZ-FRRDWIJNSA-N -1 1 391.501 1.626 20 0 GDADMM O=C(NC1CC(CNc2nc(Cl)c(-c3nnn[n-]3)s2)C1)c1cccnn1 ZINC001571306229 946390677 /nfs/dbraw/zinc/39/06/77/946390677.db2.gz QWYDNITZUPEAIR-UHFFFAOYSA-N -1 1 391.848 1.387 20 0 GDADMM O=C(NC1CC(CNc2nc(Cl)c(-c3nn[n-]n3)s2)C1)c1cccnn1 ZINC001571306229 946390684 /nfs/dbraw/zinc/39/06/84/946390684.db2.gz QWYDNITZUPEAIR-UHFFFAOYSA-N -1 1 391.848 1.387 20 0 GDADMM Cc1nnccc1C(=O)N1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC001571306342 946398295 /nfs/dbraw/zinc/39/82/95/946398295.db2.gz SYEXWPZSBRRWID-UHFFFAOYSA-N -1 1 391.848 1.037 20 0 GDADMM Cc1nnccc1C(=O)N1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC001571306342 946398302 /nfs/dbraw/zinc/39/83/02/946398302.db2.gz SYEXWPZSBRRWID-UHFFFAOYSA-N -1 1 391.848 1.037 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(F)(F)[C@@H](CNC(=O)[C@H]3C[C@@H]3C)C2)n1 ZINC001571307843 946427895 /nfs/dbraw/zinc/42/78/95/946427895.db2.gz HSFVZGKACNPHTJ-DLOVCJGASA-N -1 1 392.414 1.199 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(F)(F)[C@@H](CNC(=O)[C@H]3C[C@@H]3C)C2)n1 ZINC001571307843 946427900 /nfs/dbraw/zinc/42/79/00/946427900.db2.gz HSFVZGKACNPHTJ-DLOVCJGASA-N -1 1 392.414 1.199 20 0 GDADMM C[C@@H]1CN(C(=O)C2CC(F)(F)C2)CC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571308050 946428891 /nfs/dbraw/zinc/42/88/91/946428891.db2.gz KSOVDWJNUSKPHH-GHMZBOCLSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H]1CN(C(=O)C2CC(F)(F)C2)CC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571308050 946428901 /nfs/dbraw/zinc/42/89/01/946428901.db2.gz KSOVDWJNUSKPHH-GHMZBOCLSA-N -1 1 392.414 1.599 20 0 GDADMM O=C(N[C@@H]1[C@H]2CN(c3snc(Cl)c3-c3nnn[n-]3)C[C@H]21)C1(C2CC2)CC1 ZINC001571308041 946429494 /nfs/dbraw/zinc/42/94/94/946429494.db2.gz KKORPMJZJDBVJU-JZYVYDRUSA-N -1 1 391.888 1.718 20 0 GDADMM O=C(N[C@@H]1[C@H]2CN(c3snc(Cl)c3-c3nn[n-]n3)C[C@H]21)C1(C2CC2)CC1 ZINC001571308041 946429503 /nfs/dbraw/zinc/42/95/03/946429503.db2.gz KKORPMJZJDBVJU-JZYVYDRUSA-N -1 1 391.888 1.718 20 0 GDADMM O=C(C1CCC(F)(F)CC1)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571308415 946433366 /nfs/dbraw/zinc/43/33/66/946433366.db2.gz PWEWQPBKVGHXNX-GFCCVEGCSA-N -1 1 392.414 1.885 20 0 GDADMM O=C(C1CCC(F)(F)CC1)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571308415 946433375 /nfs/dbraw/zinc/43/33/75/946433375.db2.gz PWEWQPBKVGHXNX-GFCCVEGCSA-N -1 1 392.414 1.885 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2C[C@H](C)N(C(=O)CC3CC(F)(F)C3)C2)n1 ZINC001571308390 946433454 /nfs/dbraw/zinc/43/34/54/946433454.db2.gz PMYSCZFGCIODOX-CMPLNLGQSA-N -1 1 392.414 1.802 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2C[C@H](C)N(C(=O)CC3CC(F)(F)C3)C2)n1 ZINC001571308390 946433459 /nfs/dbraw/zinc/43/34/59/946433459.db2.gz PMYSCZFGCIODOX-CMPLNLGQSA-N -1 1 392.414 1.802 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCC[C@@H]2NC(=O)C2CC(F)(F)C2)n1 ZINC001571308880 946437777 /nfs/dbraw/zinc/43/77/77/946437777.db2.gz UIBTZIZLKGTJRB-JQWIXIFHSA-N -1 1 392.414 1.707 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCC[C@@H]2NC(=O)C2CC(F)(F)C2)n1 ZINC001571308880 946437784 /nfs/dbraw/zinc/43/77/84/946437784.db2.gz UIBTZIZLKGTJRB-JQWIXIFHSA-N -1 1 392.414 1.707 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001571309405 946444810 /nfs/dbraw/zinc/44/48/10/946444810.db2.gz ZKKKTUITQURIRK-PHIMTYICSA-N -1 1 392.414 1.233 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001571309405 946444813 /nfs/dbraw/zinc/44/48/13/946444813.db2.gz ZKKKTUITQURIRK-PHIMTYICSA-N -1 1 392.414 1.233 20 0 GDADMM O=C(C[C@H]1CCC(F)(F)C1)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571310098 946461775 /nfs/dbraw/zinc/46/17/75/946461775.db2.gz UZNIAZBXNXFQOS-VXGBXAGGSA-N -1 1 392.414 1.885 20 0 GDADMM O=C(C[C@H]1CCC(F)(F)C1)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571310098 946461783 /nfs/dbraw/zinc/46/17/83/946461783.db2.gz UZNIAZBXNXFQOS-VXGBXAGGSA-N -1 1 392.414 1.885 20 0 GDADMM CC(C)(CC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001571310368 946471130 /nfs/dbraw/zinc/47/11/30/946471130.db2.gz CXYAZOPZQAQGRO-OAHLLOKOSA-N -1 1 392.467 1.459 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)CCc2ccccc2)C1)c1cncc(-c2nnn[n-]2)n1 ZINC001571313467 946522203 /nfs/dbraw/zinc/52/22/03/946522203.db2.gz OXZMNXWVZPBDAA-INIZCTEOSA-N -1 1 392.467 1.574 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)CCc2ccccc2)C1)c1cncc(-c2nn[n-]n2)n1 ZINC001571313467 946522209 /nfs/dbraw/zinc/52/22/09/946522209.db2.gz OXZMNXWVZPBDAA-INIZCTEOSA-N -1 1 392.467 1.574 20 0 GDADMM CC(=O)N1CC[C@@H](NC(=O)Cc2noc(C)c2-c2nnn[n-]2)c2ccccc21 ZINC000823972443 946530716 /nfs/dbraw/zinc/53/07/16/946530716.db2.gz BDZBTBHZVOULCZ-CYBMUJFWSA-N -1 1 381.396 1.320 20 0 GDADMM CC(=O)N1CC[C@@H](NC(=O)Cc2noc(C)c2-c2nn[n-]n2)c2ccccc21 ZINC000823972443 946530719 /nfs/dbraw/zinc/53/07/19/946530719.db2.gz BDZBTBHZVOULCZ-CYBMUJFWSA-N -1 1 381.396 1.320 20 0 GDADMM Cc1cc(C)cc(C(=O)N2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C(C)(C)C2)c1 ZINC001571316063 946564140 /nfs/dbraw/zinc/56/41/40/946564140.db2.gz SVLRDTKOCLKEHF-HNNXBMFYSA-N -1 1 392.467 1.658 20 0 GDADMM C[C@@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])S(=O)(=O)c1ccc(F)cc1 ZINC000824045232 946566856 /nfs/dbraw/zinc/56/68/56/946566856.db2.gz JPKNHXCHIGRPRF-VIFPVBQESA-N -1 1 391.384 1.512 20 0 GDADMM Cc1cccc([C@H](C)C(=O)N2CCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571316302 946571215 /nfs/dbraw/zinc/57/12/15/946571215.db2.gz YSEQMLRTBNODJT-GOEBONIOSA-N -1 1 392.467 1.594 20 0 GDADMM Cc1cccc(CC(=O)N2CCC(CNc3ccc(-c4nnn[n-]4)nn3)CC2)c1 ZINC001571316393 946573218 /nfs/dbraw/zinc/57/32/18/946573218.db2.gz BJAKTDYRCALHEX-UHFFFAOYSA-N -1 1 392.467 1.858 20 0 GDADMM Cc1cccc(CC(=O)N2CCC(CNc3ccc(-c4nn[n-]n4)nn3)CC2)c1 ZINC001571316393 946573226 /nfs/dbraw/zinc/57/32/26/946573226.db2.gz BJAKTDYRCALHEX-UHFFFAOYSA-N -1 1 392.467 1.858 20 0 GDADMM Cc1ccccc1[C@H](C)C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571316617 946581708 /nfs/dbraw/zinc/58/17/08/946581708.db2.gz ICORNJBELOFQND-LSDHHAIUSA-N -1 1 392.467 1.854 20 0 GDADMM Cc1ccccc1[C@H](C)C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571316617 946581717 /nfs/dbraw/zinc/58/17/17/946581717.db2.gz ICORNJBELOFQND-LSDHHAIUSA-N -1 1 392.467 1.854 20 0 GDADMM CC(C)(C)OC(=O)c1ccnc(NCCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000824114261 946594426 /nfs/dbraw/zinc/59/44/26/946594426.db2.gz MFYINBWCLGRATL-UHFFFAOYSA-N -1 1 385.432 1.567 20 0 GDADMM Cc1cccc(C)c1C(=O)N[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC1(C)C ZINC001571317105 946599117 /nfs/dbraw/zinc/59/91/17/946599117.db2.gz VHVURHULNAGDPP-AWEZNQCLSA-N -1 1 392.467 1.918 20 0 GDADMM Cc1cccc(C)c1C(=O)N[C@H]1CN(c2nccnc2-c2nn[n-]n2)CC1(C)C ZINC001571317105 946599128 /nfs/dbraw/zinc/59/91/28/946599128.db2.gz VHVURHULNAGDPP-AWEZNQCLSA-N -1 1 392.467 1.918 20 0 GDADMM COc1cc(C(=O)N[C@H]2C[C@H](Nc3snc(C)c3-c3nn[n-]n3)C2)sn1 ZINC001571317313 946605943 /nfs/dbraw/zinc/60/59/43/946605943.db2.gz CBFXAFYXKHKMLM-ZKCHVHJHSA-N -1 1 392.470 1.470 20 0 GDADMM Cn1cccc1C(=O)NC[C@@H]1CCCN1c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001571317486 946611902 /nfs/dbraw/zinc/61/19/02/946611902.db2.gz JSEQKHBRJJJIFZ-VIFPVBQESA-N -1 1 392.876 1.714 20 0 GDADMM Cn1cccc1C(=O)NC[C@@H]1CCCN1c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001571317486 946611908 /nfs/dbraw/zinc/61/19/08/946611908.db2.gz JSEQKHBRJJJIFZ-VIFPVBQESA-N -1 1 392.876 1.714 20 0 GDADMM CN(C(=O)c1c(Cl)cnn1C)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571317727 946619317 /nfs/dbraw/zinc/61/93/17/946619317.db2.gz SRGUCIJCQLWTJH-UHFFFAOYSA-N -1 1 392.876 1.272 20 0 GDADMM C[C@H](CCO)C1(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCC1 ZINC000824407883 946692745 /nfs/dbraw/zinc/69/27/45/946692745.db2.gz ZWNAUCRNXRDCSF-LLVKDONJSA-N -1 1 399.904 1.987 20 0 GDADMM C[C@H](CCO)C1(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCC1 ZINC000824407883 946692752 /nfs/dbraw/zinc/69/27/52/946692752.db2.gz ZWNAUCRNXRDCSF-LLVKDONJSA-N -1 1 399.904 1.987 20 0 GDADMM CC(=O)Nc1cc(S(=O)(=O)NCc2ccnc(-c3nnn[n-]3)c2)ccc1C ZINC001573543373 946807092 /nfs/dbraw/zinc/80/70/92/946807092.db2.gz XVCDOVQMURSROT-UHFFFAOYSA-N -1 1 387.425 1.007 20 0 GDADMM CC(=O)Nc1cc(S(=O)(=O)NCc2ccnc(-c3nn[n-]n3)c2)ccc1C ZINC001573543373 946807101 /nfs/dbraw/zinc/80/71/01/946807101.db2.gz XVCDOVQMURSROT-UHFFFAOYSA-N -1 1 387.425 1.007 20 0 GDADMM CCCN(C(=O)Cc1noc(C)c1-c1nnn[n-]1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000825300704 947145672 /nfs/dbraw/zinc/14/56/72/947145672.db2.gz CWPNRTFGAQYUEJ-LBPRGKRZSA-N -1 1 397.439 1.971 20 0 GDADMM CCCN(C(=O)Cc1noc(C)c1-c1nn[n-]n1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000825300704 947145677 /nfs/dbraw/zinc/14/56/77/947145677.db2.gz CWPNRTFGAQYUEJ-LBPRGKRZSA-N -1 1 397.439 1.971 20 0 GDADMM CCOC(=O)c1cnn(Cc2nnc(-c3ccccc3)n2C)c1-c1nn[n-]n1 ZINC000825569850 947227641 /nfs/dbraw/zinc/22/76/41/947227641.db2.gz BMIUIAMUWMXBNL-UHFFFAOYSA-N -1 1 379.384 1.084 20 0 GDADMM CCOC(=O)c1cnn(Cc2cc(Cl)c3c(c2)OCCO3)c1-c1nn[n-]n1 ZINC000825570670 947231588 /nfs/dbraw/zinc/23/15/88/947231588.db2.gz MGOKMEHLMXVAOK-UHFFFAOYSA-N -1 1 390.787 1.713 20 0 GDADMM CCc1cnccc1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825740320 947310883 /nfs/dbraw/zinc/31/08/83/947310883.db2.gz RNACTXDJCYISGO-UHFFFAOYSA-N -1 1 397.443 1.031 20 0 GDADMM CCc1cnccc1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825740320 947310898 /nfs/dbraw/zinc/31/08/98/947310898.db2.gz RNACTXDJCYISGO-UHFFFAOYSA-N -1 1 397.443 1.031 20 0 GDADMM CCc1nc2ccccc2n1CCNC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825750479 947316368 /nfs/dbraw/zinc/31/63/68/947316368.db2.gz RDVCQFBOYIGTLW-UHFFFAOYSA-N -1 1 380.412 1.434 20 0 GDADMM CCc1nc2ccccc2n1CCNC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825750479 947316381 /nfs/dbraw/zinc/31/63/81/947316381.db2.gz RDVCQFBOYIGTLW-UHFFFAOYSA-N -1 1 380.412 1.434 20 0 GDADMM C=C/C(C)=C\CC(=O)NC[C@@H]1CCCCN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573319145 947324885 /nfs/dbraw/zinc/32/48/85/947324885.db2.gz UVYPYEGULMLAIC-ODDCISTRSA-N -1 1 382.472 1.963 20 0 GDADMM C=C/C(C)=C\CC(=O)NC[C@@H]1CCCCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573319145 947324900 /nfs/dbraw/zinc/32/49/00/947324900.db2.gz UVYPYEGULMLAIC-ODDCISTRSA-N -1 1 382.472 1.963 20 0 GDADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCO1 ZINC001573592941 947355128 /nfs/dbraw/zinc/35/51/28/947355128.db2.gz OOBPXPNKOSYVJE-GXTWGEPZSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCO1 ZINC001573592941 947355141 /nfs/dbraw/zinc/35/51/41/947355141.db2.gz OOBPXPNKOSYVJE-GXTWGEPZSA-N -1 1 388.476 1.368 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cc(F)cc2cccnc21 ZINC000825935036 947378238 /nfs/dbraw/zinc/37/82/38/947378238.db2.gz SINIGZSQVSOULG-UHFFFAOYSA-N -1 1 395.402 1.564 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cc(F)cc2cccnc21 ZINC000825935036 947378248 /nfs/dbraw/zinc/37/82/48/947378248.db2.gz SINIGZSQVSOULG-UHFFFAOYSA-N -1 1 395.402 1.564 20 0 GDADMM C[C@@H](C(=O)N(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)n1cccc1 ZINC001573595285 947417524 /nfs/dbraw/zinc/41/75/24/947417524.db2.gz XEYVNUHKTVLSDO-WFASDCNBSA-N -1 1 381.444 1.368 20 0 GDADMM C[C@@H](C(=O)N(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)n1cccc1 ZINC001573595285 947417529 /nfs/dbraw/zinc/41/75/29/947417529.db2.gz XEYVNUHKTVLSDO-WFASDCNBSA-N -1 1 381.444 1.368 20 0 GDADMM C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(Cl)c2[O-])c1-c1nn[n-]n1 ZINC000826082819 947425089 /nfs/dbraw/zinc/42/50/89/947425089.db2.gz BITAEQNUNYOWHP-UHFFFAOYSA-N -1 1 376.808 1.353 20 0 GDADMM COC(=O)[C@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)c1cc(F)ccc1F ZINC000826103849 947430060 /nfs/dbraw/zinc/43/00/60/947430060.db2.gz MGJNURMSFPPISN-CQSZACIVSA-N -1 1 392.322 1.014 20 0 GDADMM COC(=O)[C@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)c1cc(F)ccc1F ZINC000826103849 947430066 /nfs/dbraw/zinc/43/00/66/947430066.db2.gz MGJNURMSFPPISN-CQSZACIVSA-N -1 1 392.322 1.014 20 0 GDADMM C[C@@H](C(=O)N(C)CCNc1ccnc(-c2nn[n-]n2)n1)c1ccc(F)c(F)c1 ZINC001573603430 947486785 /nfs/dbraw/zinc/48/67/85/947486785.db2.gz GPPRZGOAZFNDJD-SNVBAGLBSA-N -1 1 388.382 1.031 20 0 GDADMM CC(C)N(CCN(C)c1cncc(-c2nnn[n-]2)n1)C(=O)[C@@H](C)[C@H]1CCCO1 ZINC001573605278 947526944 /nfs/dbraw/zinc/52/69/44/947526944.db2.gz UXUBBTIKZFSZFN-DZGCQCFKSA-N -1 1 388.476 1.145 20 0 GDADMM CC(C)N(CCN(C)c1cncc(-c2nn[n-]n2)n1)C(=O)[C@@H](C)[C@H]1CCCO1 ZINC001573605278 947526957 /nfs/dbraw/zinc/52/69/57/947526957.db2.gz UXUBBTIKZFSZFN-DZGCQCFKSA-N -1 1 388.476 1.145 20 0 GDADMM CC(C)N(CCN(C)c1cncc(-c2nnn[n-]2)n1)C(=O)[C@@H](C)[C@@H]1CCCO1 ZINC001573605281 947528903 /nfs/dbraw/zinc/52/89/03/947528903.db2.gz UXUBBTIKZFSZFN-ZFWWWQNUSA-N -1 1 388.476 1.145 20 0 GDADMM CC(C)N(CCN(C)c1cncc(-c2nn[n-]n2)n1)C(=O)[C@@H](C)[C@@H]1CCCO1 ZINC001573605281 947528905 /nfs/dbraw/zinc/52/89/05/947528905.db2.gz UXUBBTIKZFSZFN-ZFWWWQNUSA-N -1 1 388.476 1.145 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)C(C)(F)F ZINC001573613712 947569727 /nfs/dbraw/zinc/56/97/27/947569727.db2.gz GYQAKZWCXUUJDO-UTUOFQBUSA-N -1 1 392.414 1.518 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)C(C)(F)F ZINC001573613712 947569734 /nfs/dbraw/zinc/56/97/34/947569734.db2.gz GYQAKZWCXUUJDO-UTUOFQBUSA-N -1 1 392.414 1.518 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)c1cccnc1 ZINC001573614873 947595145 /nfs/dbraw/zinc/59/51/45/947595145.db2.gz AYDLHIAGFXQDFW-CHWSQXEVSA-N -1 1 379.428 1.116 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)c1cccnc1 ZINC001573614873 947595154 /nfs/dbraw/zinc/59/51/54/947595154.db2.gz AYDLHIAGFXQDFW-CHWSQXEVSA-N -1 1 379.428 1.116 20 0 GDADMM C[C@H](C(=O)N1CC[C@@](C)(CNc2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001573615080 947597856 /nfs/dbraw/zinc/59/78/56/947597856.db2.gz QMCKIHQLVHMECP-ACJLOTCBSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@H](C(=O)N1CC[C@@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001573615080 947597860 /nfs/dbraw/zinc/59/78/60/947597860.db2.gz QMCKIHQLVHMECP-ACJLOTCBSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CN(C)c2cnc(-c3nnn[n-]3)cn2)C1)C1CCCC1 ZINC001573615164 947599544 /nfs/dbraw/zinc/59/95/44/947599544.db2.gz IFJWQSBDRUXMPC-KGLIPLIRSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CN(C)c2cnc(-c3nn[n-]n3)cn2)C1)C1CCCC1 ZINC001573615164 947599554 /nfs/dbraw/zinc/59/95/54/947599554.db2.gz IFJWQSBDRUXMPC-KGLIPLIRSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1)c1ccco1 ZINC001573615689 947607967 /nfs/dbraw/zinc/60/79/67/947607967.db2.gz JUEPBRIMHOJPNB-CHWSQXEVSA-N -1 1 382.428 1.338 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1)c1ccco1 ZINC001573615689 947607972 /nfs/dbraw/zinc/60/79/72/947607972.db2.gz JUEPBRIMHOJPNB-CHWSQXEVSA-N -1 1 382.428 1.338 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@@H](CN(C)c3nccnc3-c3nnn[n-]3)C2)cc1 ZINC001573351421 947614691 /nfs/dbraw/zinc/61/46/91/947614691.db2.gz MYOADEZXDYMLFD-HNNXBMFYSA-N -1 1 390.451 1.898 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@@H](CN(C)c3nccnc3-c3nn[n-]n3)C2)cc1 ZINC001573351421 947614697 /nfs/dbraw/zinc/61/46/97/947614697.db2.gz MYOADEZXDYMLFD-HNNXBMFYSA-N -1 1 390.451 1.898 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573615968 947615257 /nfs/dbraw/zinc/61/52/57/947615257.db2.gz UOOFSIJTUSOEKH-AEGPPILISA-N -1 1 382.472 1.663 20 0 GDADMM COc1ccc2c(c1)CC[C@@H](NS(=O)(=O)c1ccc(-c3nnn[n-]3)nc1)C2 ZINC000826212453 947621043 /nfs/dbraw/zinc/62/10/43/947621043.db2.gz QXOJRGPGPNJRTN-CYBMUJFWSA-N -1 1 386.437 1.106 20 0 GDADMM COc1ccc2c(c1)CC[C@@H](NS(=O)(=O)c1ccc(-c3nn[n-]n3)nc1)C2 ZINC000826212453 947621046 /nfs/dbraw/zinc/62/10/46/947621046.db2.gz QXOJRGPGPNJRTN-CYBMUJFWSA-N -1 1 386.437 1.106 20 0 GDADMM C[C@H](C(=O)N1CCC(C)(Nc2cncc(-c3nnn[n-]3)n2)CC1)C(C)(F)F ZINC001573616803 947628225 /nfs/dbraw/zinc/62/82/25/947628225.db2.gz ODPZXNVQHWDPNE-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](C(=O)N1CCC(C)(Nc2cncc(-c3nn[n-]n3)n2)CC1)C(C)(F)F ZINC001573616803 947628231 /nfs/dbraw/zinc/62/82/31/947628231.db2.gz ODPZXNVQHWDPNE-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CN(C)c2cncc(-c3nnn[n-]3)n2)C1)C1CCCC1 ZINC001573617290 947633941 /nfs/dbraw/zinc/63/39/41/947633941.db2.gz OOPQFFDUBGMJLD-UONOGXRCSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CN(C)c2cncc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573617290 947633951 /nfs/dbraw/zinc/63/39/51/947633951.db2.gz OOPQFFDUBGMJLD-UONOGXRCSA-N -1 1 384.488 1.768 20 0 GDADMM C=Cc1ccc(C(=O)N[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CC2(C)C)cc1 ZINC001573356542 947651195 /nfs/dbraw/zinc/65/11/95/947651195.db2.gz XVVJHTVPFSRIRX-HNNXBMFYSA-N -1 1 390.451 1.945 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CN(C)c2cncc(-c3nnn[n-]3)n2)C1)C(C)(F)F ZINC001573618999 947659996 /nfs/dbraw/zinc/65/99/96/947659996.db2.gz UXNXTNOHDRGCHW-QWRGUYRKSA-N -1 1 380.403 1.233 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CN(C)c2cncc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573618999 947660001 /nfs/dbraw/zinc/66/00/01/947660001.db2.gz UXNXTNOHDRGCHW-QWRGUYRKSA-N -1 1 380.403 1.233 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1)c1ccsc1 ZINC001573619673 947669837 /nfs/dbraw/zinc/66/98/37/947669837.db2.gz XEHAASSJMMUDRF-AAEUAGOBSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1)c1ccsc1 ZINC001573619673 947669847 /nfs/dbraw/zinc/66/98/47/947669847.db2.gz XEHAASSJMMUDRF-AAEUAGOBSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@H](C(=O)N1CCC(N(C)c2cnc(-c3nnn[n-]3)cn2)CC1)n1cccc1 ZINC001573619690 947670314 /nfs/dbraw/zinc/67/03/14/947670314.db2.gz XEWZVCHWOBIXDF-CYBMUJFWSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@H](C(=O)N1CCC(N(C)c2cnc(-c3nn[n-]n3)cn2)CC1)n1cccc1 ZINC001573619690 947670323 /nfs/dbraw/zinc/67/03/23/947670323.db2.gz XEWZVCHWOBIXDF-CYBMUJFWSA-N -1 1 381.444 1.147 20 0 GDADMM CC(=O)[C@@H]1CC(C(=O)N(C)c2ccc(-c3nnn[n-]3)nc2)=NN1c1ccccc1 ZINC001573366419 947741183 /nfs/dbraw/zinc/74/11/83/947741183.db2.gz PWZHEKWGSBIPCQ-KRWDZBQOSA-N -1 1 390.407 1.448 20 0 GDADMM CC(=O)[C@@H]1CC(C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)=NN1c1ccccc1 ZINC001573366419 947741198 /nfs/dbraw/zinc/74/11/98/947741198.db2.gz PWZHEKWGSBIPCQ-KRWDZBQOSA-N -1 1 390.407 1.448 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001573628444 947755260 /nfs/dbraw/zinc/75/52/60/947755260.db2.gz KVEQXCZCTYRZRG-ZJUUUORDSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001573628444 947755263 /nfs/dbraw/zinc/75/52/63/947755263.db2.gz KVEQXCZCTYRZRG-ZJUUUORDSA-N -1 1 384.366 1.282 20 0 GDADMM Cc1onc(CC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)c1-c1nnn[n-]1 ZINC000826263943 947762125 /nfs/dbraw/zinc/76/21/25/947762125.db2.gz WWGRCJQLGPRADF-UHFFFAOYSA-N -1 1 383.412 1.386 20 0 GDADMM Cc1onc(CC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)c1-c1nn[n-]n1 ZINC000826263943 947762128 /nfs/dbraw/zinc/76/21/28/947762128.db2.gz WWGRCJQLGPRADF-UHFFFAOYSA-N -1 1 383.412 1.386 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1cncc(-c2nnn[n-]2)n1)c1ccco1 ZINC001573628897 947767668 /nfs/dbraw/zinc/76/76/68/947767668.db2.gz PBHFPRFVYVGAML-CHWSQXEVSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1cncc(-c2nn[n-]n2)n1)c1ccco1 ZINC001573628897 947767673 /nfs/dbraw/zinc/76/76/73/947767673.db2.gz PBHFPRFVYVGAML-CHWSQXEVSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1nccnc1-c1nnn[n-]1)C(C)(F)F ZINC001573629180 947773986 /nfs/dbraw/zinc/77/39/86/947773986.db2.gz RATFIOYTIDZNHA-GHMZBOCLSA-N -1 1 380.403 1.375 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1nccnc1-c1nn[n-]n1)C(C)(F)F ZINC001573629180 947773993 /nfs/dbraw/zinc/77/39/93/947773993.db2.gz RATFIOYTIDZNHA-GHMZBOCLSA-N -1 1 380.403 1.375 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]2[C@@H]1CCN2c1nccnc1-c1nnn[n-]1)C(C)(C)C ZINC001573629179 947774144 /nfs/dbraw/zinc/77/41/44/947774144.db2.gz RAPWYVRADRXKIU-RDBSUJKOSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]2[C@@H]1CCN2c1nccnc1-c1nn[n-]n1)C(C)(C)C ZINC001573629179 947774152 /nfs/dbraw/zinc/77/41/52/947774152.db2.gz RAPWYVRADRXKIU-RDBSUJKOSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1)c1cccs1 ZINC001573629842 947786320 /nfs/dbraw/zinc/78/63/20/947786320.db2.gz WJVTXZCMQOGAFO-NWDGAFQWSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1)c1cccs1 ZINC001573629842 947786325 /nfs/dbraw/zinc/78/63/25/947786325.db2.gz WJVTXZCMQOGAFO-NWDGAFQWSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001573630509 947793342 /nfs/dbraw/zinc/79/33/42/947793342.db2.gz YJQUOLDXSJGASW-GHMZBOCLSA-N -1 1 380.403 1.375 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccsc1 ZINC001573630699 947794605 /nfs/dbraw/zinc/79/46/05/947794605.db2.gz RQCGNPQXNSJHKC-WCQYABFASA-N -1 1 384.469 1.925 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccsc1 ZINC001573630699 947794612 /nfs/dbraw/zinc/79/46/12/947794612.db2.gz RQCGNPQXNSJHKC-WCQYABFASA-N -1 1 384.469 1.925 20 0 GDADMM C[C@H](C(=O)N1CCC2(C1)CCN(c1ccnc(-c3nn[n-]n3)n1)CC2)C1CC1 ZINC001573631519 947802083 /nfs/dbraw/zinc/80/20/83/947802083.db2.gz VWHNEOZGOXFIER-ZDUSSCGKSA-N -1 1 382.472 1.522 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573375162 947815672 /nfs/dbraw/zinc/81/56/72/947815672.db2.gz RJRSKDVXJNKZJA-VIFPVBQESA-N -1 1 383.865 1.749 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC001573637605 947818699 /nfs/dbraw/zinc/81/86/99/947818699.db2.gz KFSMDTSOHSJMMG-OLZOCXBDSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC001573637605 947818707 /nfs/dbraw/zinc/81/87/07/947818707.db2.gz KFSMDTSOHSJMMG-OLZOCXBDSA-N -1 1 382.428 1.846 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573375628 947823286 /nfs/dbraw/zinc/82/32/86/947823286.db2.gz PPIQIRMNUQEHJR-CQSZACIVSA-N -1 1 386.460 1.200 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573375628 947823296 /nfs/dbraw/zinc/82/32/96/947823296.db2.gz PPIQIRMNUQEHJR-CQSZACIVSA-N -1 1 386.460 1.200 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@@H](C)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573376123 947829522 /nfs/dbraw/zinc/82/95/22/947829522.db2.gz WWMUIHBWIBDUKW-DOMZBBRYSA-N -1 1 386.460 1.455 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@@H](C)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573376123 947829531 /nfs/dbraw/zinc/82/95/31/947829531.db2.gz WWMUIHBWIBDUKW-DOMZBBRYSA-N -1 1 386.460 1.455 20 0 GDADMM C[C@H](C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1)[C@H]1CCCO1 ZINC001573638336 947838332 /nfs/dbraw/zinc/83/83/32/947838332.db2.gz KOGIAAKRPPZQOU-GXTWGEPZSA-N -1 1 376.486 1.388 20 0 GDADMM C[C@@H](C(=O)N1CCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1)C1CCCC1 ZINC001573640065 947851391 /nfs/dbraw/zinc/85/13/91/947851391.db2.gz FEPQEOXOFPYKTR-OCCSQVGLSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](C(=O)N1CCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1)C1CCCC1 ZINC001573640065 947851401 /nfs/dbraw/zinc/85/14/01/947851401.db2.gz FEPQEOXOFPYKTR-OCCSQVGLSA-N -1 1 386.460 1.122 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C ZINC001573380494 947859340 /nfs/dbraw/zinc/85/93/40/947859340.db2.gz CWKXTRGFWOIEFQ-AWEZNQCLSA-N -1 1 386.460 1.137 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C ZINC001573380494 947859348 /nfs/dbraw/zinc/85/93/48/947859348.db2.gz CWKXTRGFWOIEFQ-AWEZNQCLSA-N -1 1 386.460 1.137 20 0 GDADMM C[C@H](C(=O)N1CC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)C1CCCC1 ZINC001573646770 947878003 /nfs/dbraw/zinc/87/80/03/947878003.db2.gz UIEKCMOKEOIPPT-AEGPPILISA-N -1 1 382.472 1.520 20 0 GDADMM C[C@H](C(=O)N1CC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)C1CCCC1 ZINC001573646770 947878008 /nfs/dbraw/zinc/87/80/08/947878008.db2.gz UIEKCMOKEOIPPT-AEGPPILISA-N -1 1 382.472 1.520 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(CNc2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001573647263 947890559 /nfs/dbraw/zinc/89/05/59/947890559.db2.gz GKTFSGVCNDICAS-UHYGZKCKSA-N -1 1 382.472 1.165 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1)C(C)(F)F ZINC001573652003 947927469 /nfs/dbraw/zinc/92/74/69/947927469.db2.gz UFQSYMICRHXBDM-UTUOFQBUSA-N -1 1 392.414 1.233 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1)C(C)(F)F ZINC001573652003 947927475 /nfs/dbraw/zinc/92/74/75/947927475.db2.gz UFQSYMICRHXBDM-UTUOFQBUSA-N -1 1 392.414 1.233 20 0 GDADMM C[C@@H](C(=O)N[C@@](C)(CNc1cncc(-c2nnn[n-]2)n1)C1CC1)C(C)(F)F ZINC001573652205 947932352 /nfs/dbraw/zinc/93/23/52/947932352.db2.gz BIENMPBVLFICGO-VFZGTOFNSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@@H](C(=O)N[C@@](C)(CNc1cncc(-c2nn[n-]n2)n1)C1CC1)C(C)(F)F ZINC001573652205 947932358 /nfs/dbraw/zinc/93/23/58/947932358.db2.gz BIENMPBVLFICGO-VFZGTOFNSA-N -1 1 380.403 1.645 20 0 GDADMM CNS(=O)(=O)c1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000328006980 971441681 /nfs/dbraw/zinc/44/16/81/971441681.db2.gz GTXGIDJOLOIHTQ-UHFFFAOYSA-N -1 1 384.435 1.402 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C(C)(C)C)C(C)(F)F ZINC001573652670 947944042 /nfs/dbraw/zinc/94/40/42/947944042.db2.gz GEQYVPZNXWFFEB-MWLCHTKSSA-N -1 1 382.419 1.891 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C(C)(C)C)C(C)(F)F ZINC001573652670 947944049 /nfs/dbraw/zinc/94/40/49/947944049.db2.gz GEQYVPZNXWFFEB-MWLCHTKSSA-N -1 1 382.419 1.891 20 0 GDADMM C[C@H](C(=O)N[C@](C)(CNc1cncc(-c2nnn[n-]2)n1)C1CC1)c1ccco1 ZINC001573653102 947950962 /nfs/dbraw/zinc/95/09/62/947950962.db2.gz JAXBEFXYXJTYNY-BBATYDOGSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](C(=O)N[C@](C)(CNc1cncc(-c2nn[n-]n2)n1)C1CC1)c1ccco1 ZINC001573653102 947950967 /nfs/dbraw/zinc/95/09/67/947950967.db2.gz JAXBEFXYXJTYNY-BBATYDOGSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)c1cccs1 ZINC001573653385 947956078 /nfs/dbraw/zinc/95/60/78/947956078.db2.gz LFYVLFPDMYKXER-CMPLNLGQSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)c1cccs1 ZINC001573653385 947956084 /nfs/dbraw/zinc/95/60/84/947956084.db2.gz LFYVLFPDMYKXER-CMPLNLGQSA-N -1 1 384.469 1.829 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCCCCCCO ZINC000826328576 947957692 /nfs/dbraw/zinc/95/76/92/947957692.db2.gz WFOVNDMVGNXYTJ-UHFFFAOYSA-N -1 1 386.460 1.128 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCCCCCCO ZINC000826328576 947957698 /nfs/dbraw/zinc/95/76/98/947957698.db2.gz WFOVNDMVGNXYTJ-UHFFFAOYSA-N -1 1 386.460 1.128 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)c1cccnc1 ZINC001573655382 947977788 /nfs/dbraw/zinc/97/77/88/947977788.db2.gz XDCIANJJZONSJA-FZMZJTMJSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)c1cccnc1 ZINC001573655382 947977798 /nfs/dbraw/zinc/97/77/98/947977798.db2.gz XDCIANJJZONSJA-FZMZJTMJSA-N -1 1 379.428 1.162 20 0 GDADMM Cc1onc(CC(=O)N2CCC(c3nncn3C(C)C)CC2)c1-c1nnn[n-]1 ZINC000826343716 947994769 /nfs/dbraw/zinc/99/47/69/947994769.db2.gz KZRDSYRPGKRRHO-UHFFFAOYSA-N -1 1 385.432 1.284 20 0 GDADMM Cc1onc(CC(=O)N2CCC(c3nncn3C(C)C)CC2)c1-c1nn[n-]n1 ZINC000826343716 947994773 /nfs/dbraw/zinc/99/47/73/947994773.db2.gz KZRDSYRPGKRRHO-UHFFFAOYSA-N -1 1 385.432 1.284 20 0 GDADMM C[C@@H](C(=O)NC1(CNc2ccc(-c3nnn[n-]3)nn2)CCCC1)C(C)(F)F ZINC001573656842 947994786 /nfs/dbraw/zinc/99/47/86/947994786.db2.gz IQJIAFGHZAGYOY-JTQLQIEISA-N -1 1 380.403 1.789 20 0 GDADMM C[C@@H](C(=O)NC1(CNc2ccc(-c3nn[n-]n3)nn2)CCCC1)C(C)(F)F ZINC001573656842 947994791 /nfs/dbraw/zinc/99/47/91/947994791.db2.gz IQJIAFGHZAGYOY-JTQLQIEISA-N -1 1 380.403 1.789 20 0 GDADMM Cc1onc(CC(=O)N2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000826343711 947995494 /nfs/dbraw/zinc/99/54/94/947995494.db2.gz KXPFYSVUNAIIOM-BONVTDFDSA-N -1 1 386.387 1.833 20 0 GDADMM Cc1onc(CC(=O)N2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000826343711 947995503 /nfs/dbraw/zinc/99/55/03/947995503.db2.gz KXPFYSVUNAIIOM-BONVTDFDSA-N -1 1 386.387 1.833 20 0 GDADMM C[C@H](C(=O)NC1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C1CCCC1 ZINC001573657034 947996864 /nfs/dbraw/zinc/99/68/64/947996864.db2.gz JTYSZHOJHWKBJQ-ZDUSSCGKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](C(=O)NC1(CNc2ccnc(-c3nn[n-]n3)n2)CCCC1)C(F)(F)F ZINC001573659437 948014373 /nfs/dbraw/zinc/01/43/73/948014373.db2.gz VUBVHYPZJMJGIR-SECBINFHSA-N -1 1 384.366 1.118 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](C)CCc2ccc3c(c2)OCO3)c1-c1nnn[n-]1 ZINC000826345832 948031509 /nfs/dbraw/zinc/03/15/09/948031509.db2.gz VLHQEFXXLQODII-JTQLQIEISA-N -1 1 384.396 1.572 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](C)CCc2ccc3c(c2)OCO3)c1-c1nn[n-]n1 ZINC000826345832 948031518 /nfs/dbraw/zinc/03/15/18/948031518.db2.gz VLHQEFXXLQODII-JTQLQIEISA-N -1 1 384.396 1.572 20 0 GDADMM Cc1onc(CC(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)c1-c1nnn[n-]1 ZINC000826346087 948036505 /nfs/dbraw/zinc/03/65/05/948036505.db2.gz BZIPDQKLDDLSKJ-JTQLQIEISA-N -1 1 389.366 1.379 20 0 GDADMM Cc1onc(CC(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)c1-c1nn[n-]n1 ZINC000826346087 948036512 /nfs/dbraw/zinc/03/65/12/948036512.db2.gz BZIPDQKLDDLSKJ-JTQLQIEISA-N -1 1 389.366 1.379 20 0 GDADMM Cc1onc(CC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1-c1nnn[n-]1 ZINC000826346442 948039667 /nfs/dbraw/zinc/03/96/67/948039667.db2.gz MLKVVYUOIKCASY-GFCCVEGCSA-N -1 1 393.448 1.371 20 0 GDADMM Cc1onc(CC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1-c1nn[n-]n1 ZINC000826346442 948039674 /nfs/dbraw/zinc/03/96/74/948039674.db2.gz MLKVVYUOIKCASY-GFCCVEGCSA-N -1 1 393.448 1.371 20 0 GDADMM Cc1onc(CC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)c1-c1nnn[n-]1 ZINC000826346777 948044624 /nfs/dbraw/zinc/04/46/24/948044624.db2.gz VLJANEIJCYJUSU-UHFFFAOYSA-N -1 1 391.432 1.221 20 0 GDADMM Cc1onc(CC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)c1-c1nn[n-]n1 ZINC000826346777 948044634 /nfs/dbraw/zinc/04/46/34/948044634.db2.gz VLJANEIJCYJUSU-UHFFFAOYSA-N -1 1 391.432 1.221 20 0 GDADMM Cc1onc(CC(=O)NC[C@@H](C)Oc2cccc(Cl)c2)c1-c1nnn[n-]1 ZINC000826346918 948046818 /nfs/dbraw/zinc/04/68/18/948046818.db2.gz YVEBVZVJOAFUHZ-SECBINFHSA-N -1 1 376.804 1.943 20 0 GDADMM Cc1onc(CC(=O)NC[C@@H](C)Oc2cccc(Cl)c2)c1-c1nn[n-]n1 ZINC000826346918 948046829 /nfs/dbraw/zinc/04/68/29/948046829.db2.gz YVEBVZVJOAFUHZ-SECBINFHSA-N -1 1 376.804 1.943 20 0 GDADMM C[C@H](C(=O)N[C@]12CCC[C@@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2)C(C)(F)F ZINC001573664342 948053599 /nfs/dbraw/zinc/05/35/99/948053599.db2.gz TYGLOEBEBQEKPJ-RLFDGXBXSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1)C(C)(F)F ZINC001573664536 948055457 /nfs/dbraw/zinc/05/54/57/948055457.db2.gz FNFPFPIASQKVEK-QWRGUYRKSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1)C(C)(F)F ZINC001573664536 948055467 /nfs/dbraw/zinc/05/54/67/948055467.db2.gz FNFPFPIASQKVEK-QWRGUYRKSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](C(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1)c1cccs1 ZINC001573664569 948058215 /nfs/dbraw/zinc/05/82/15/948058215.db2.gz VHMGTLCFMCPAHS-VOMCLLRMSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1)c1cccs1 ZINC001573664569 948058224 /nfs/dbraw/zinc/05/82/24/948058224.db2.gz VHMGTLCFMCPAHS-VOMCLLRMSA-N -1 1 384.469 1.829 20 0 GDADMM Cc1onc(CC(=O)NCc2nccn2CCc2ccccc2)c1-c1nnn[n-]1 ZINC000826347851 948059890 /nfs/dbraw/zinc/05/98/90/948059890.db2.gz JAQXNOAWVXHHJN-UHFFFAOYSA-N -1 1 392.423 1.461 20 0 GDADMM Cc1onc(CC(=O)NCc2nccn2CCc2ccccc2)c1-c1nn[n-]n1 ZINC000826347851 948059897 /nfs/dbraw/zinc/05/98/97/948059897.db2.gz JAQXNOAWVXHHJN-UHFFFAOYSA-N -1 1 392.423 1.461 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nn1)CC2)C(C)(F)F ZINC001573665016 948065714 /nfs/dbraw/zinc/06/57/14/948065714.db2.gz ZXAHPYHAGVNDSJ-PWSUYJOCSA-N -1 1 392.414 1.423 20 0 GDADMM Cc1onc(CC(=O)NCc2ccnc(N3CCCCC3)c2)c1-c1nn[n-]n1 ZINC000826348116 948065761 /nfs/dbraw/zinc/06/57/61/948065761.db2.gz VJUGRGUVTUADFW-UHFFFAOYSA-N -1 1 382.428 1.407 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nn1)CC2)C(C)(F)F ZINC001573665016 948065724 /nfs/dbraw/zinc/06/57/24/948065724.db2.gz ZXAHPYHAGVNDSJ-PWSUYJOCSA-N -1 1 392.414 1.423 20 0 GDADMM Cc1onc(CC(=O)Nc2cc(C(C)C)nn2-c2ncccn2)c1-c1nnn[n-]1 ZINC000826348335 948069433 /nfs/dbraw/zinc/06/94/33/948069433.db2.gz HTAUKUSQBCKSER-UHFFFAOYSA-N -1 1 394.399 1.443 20 0 GDADMM Cc1onc(CC(=O)Nc2cc(C(C)C)nn2-c2ncccn2)c1-c1nn[n-]n1 ZINC000826348335 948069443 /nfs/dbraw/zinc/06/94/43/948069443.db2.gz HTAUKUSQBCKSER-UHFFFAOYSA-N -1 1 394.399 1.443 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)c1cccs1 ZINC001573665448 948071549 /nfs/dbraw/zinc/07/15/49/948071549.db2.gz KWQRTXNGUWQARJ-NEPJUHHUSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)c1cccs1 ZINC001573665448 948071559 /nfs/dbraw/zinc/07/15/59/948071559.db2.gz KWQRTXNGUWQARJ-NEPJUHHUSA-N -1 1 384.469 1.607 20 0 GDADMM Cc1onc(CC(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)c1-c1nnn[n-]1 ZINC000826348987 948085583 /nfs/dbraw/zinc/08/55/83/948085583.db2.gz PAOJEFDRGZVQRN-UHFFFAOYSA-N -1 1 383.412 1.873 20 0 GDADMM Cc1onc(CC(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)c1-c1nn[n-]n1 ZINC000826348987 948085590 /nfs/dbraw/zinc/08/55/90/948085590.db2.gz PAOJEFDRGZVQRN-UHFFFAOYSA-N -1 1 383.412 1.873 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1)C1CCCC1 ZINC001573666624 948090488 /nfs/dbraw/zinc/09/04/88/948090488.db2.gz URPZHFLMAIFZCH-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1)C1CCCC1 ZINC001573666624 948090496 /nfs/dbraw/zinc/09/04/96/948090496.db2.gz URPZHFLMAIFZCH-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2)C1CCC1 ZINC001573666824 948091218 /nfs/dbraw/zinc/09/12/18/948091218.db2.gz WNOFYHQIDOIENU-OCCSQVGLSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2)C1CCC1 ZINC001573666824 948091227 /nfs/dbraw/zinc/09/12/27/948091227.db2.gz WNOFYHQIDOIENU-OCCSQVGLSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C1CCCC1 ZINC001573667316 948096674 /nfs/dbraw/zinc/09/66/74/948096674.db2.gz YYKXKLIYBKLUQM-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cccc(F)c1 ZINC001573675138 948119022 /nfs/dbraw/zinc/11/90/22/948119022.db2.gz OZYQIUOEQTXNEC-FZMZJTMJSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cccc(F)c1 ZINC001573675138 948119028 /nfs/dbraw/zinc/11/90/28/948119028.db2.gz OZYQIUOEQTXNEC-FZMZJTMJSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@H](C(=O)NC[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1)c1ccsc1 ZINC001573680320 948176392 /nfs/dbraw/zinc/17/63/92/948176392.db2.gz MZAZJNSHGDGRRO-GWCFXTLKSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NC[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1)c1ccsc1 ZINC001573680320 948176399 /nfs/dbraw/zinc/17/63/99/948176399.db2.gz MZAZJNSHGDGRRO-GWCFXTLKSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1)c1ccsc1 ZINC001573680321 948176730 /nfs/dbraw/zinc/17/67/30/948176730.db2.gz MZAZJNSHGDGRRO-GXFFZTMASA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1)c1ccsc1 ZINC001573680321 948176736 /nfs/dbraw/zinc/17/67/36/948176736.db2.gz MZAZJNSHGDGRRO-GXFFZTMASA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NC[C@@H](Nc1nccnc1-c1nnn[n-]1)C1CC1)c1cccs1 ZINC001573680830 948189401 /nfs/dbraw/zinc/18/94/01/948189401.db2.gz QMCIYORDKHHXEL-CMPLNLGQSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NC[C@@H](Nc1nccnc1-c1nn[n-]n1)C1CC1)c1cccs1 ZINC001573680830 948189407 /nfs/dbraw/zinc/18/94/07/948189407.db2.gz QMCIYORDKHHXEL-CMPLNLGQSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1ccsc1 ZINC001573681875 948217377 /nfs/dbraw/zinc/21/73/77/948217377.db2.gz YIGPHSOVFRIODR-GXFFZTMASA-N -1 1 384.469 1.251 20 0 GDADMM C[C@H](C(=O)NCC1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C1CCC1 ZINC001573690591 948227079 /nfs/dbraw/zinc/22/70/79/948227079.db2.gz FCVBPBFUEMGXQE-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NC[C@@H](O)CNc1snc(Cl)c1-c1nnn[n-]1)C1CCC1 ZINC001573690846 948232369 /nfs/dbraw/zinc/23/23/69/948232369.db2.gz FTRWFUSIYFBBST-IONNQARKSA-N -1 1 385.881 1.302 20 0 GDADMM C[C@H](C(=O)NC[C@@H](O)CNc1snc(Cl)c1-c1nn[n-]n1)C1CCC1 ZINC001573690846 948232379 /nfs/dbraw/zinc/23/23/79/948232379.db2.gz FTRWFUSIYFBBST-IONNQARKSA-N -1 1 385.881 1.302 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCCC1)C(C)(F)F ZINC001573692198 948258054 /nfs/dbraw/zinc/25/80/54/948258054.db2.gz NACPAWVYVJVRQY-JTQLQIEISA-N -1 1 380.403 1.789 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCCC1)C(C)(F)F ZINC001573692198 948258061 /nfs/dbraw/zinc/25/80/61/948258061.db2.gz NACPAWVYVJVRQY-JTQLQIEISA-N -1 1 380.403 1.789 20 0 GDADMM C[C@H](C(=O)NC[C@@H](O)CNc1nc(Cl)c(-c2nnn[n-]2)s1)C(C)(C)C ZINC001573692197 948258919 /nfs/dbraw/zinc/25/89/19/948258919.db2.gz NBBIORCRKFTMFM-HTQZYQBOSA-N -1 1 387.897 1.548 20 0 GDADMM C[C@H](C(=O)NC[C@@H](O)CNc1nc(Cl)c(-c2nn[n-]n2)s1)C(C)(C)C ZINC001573692197 948258931 /nfs/dbraw/zinc/25/89/31/948258931.db2.gz NBBIORCRKFTMFM-HTQZYQBOSA-N -1 1 387.897 1.548 20 0 GDADMM C[C@@H](C(=O)NC[C@@H](O)CNc1nc(-c2nn[n-]n2)c(Cl)s1)C(C)(C)C ZINC001573693286 948280920 /nfs/dbraw/zinc/28/09/20/948280920.db2.gz SFDXAFLPOPPHFY-JGVFFNPUSA-N -1 1 387.897 1.548 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1)C(C)(F)F ZINC001573704014 948362557 /nfs/dbraw/zinc/36/25/57/948362557.db2.gz NYULWGNVCMFZKU-GHMZBOCLSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1)C(C)(F)F ZINC001573704014 948362564 /nfs/dbraw/zinc/36/25/64/948362564.db2.gz NYULWGNVCMFZKU-GHMZBOCLSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)c1cccs1 ZINC001573704083 948363950 /nfs/dbraw/zinc/36/39/50/948363950.db2.gz OTXDLCSUGQIELY-VXGBXAGGSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1)n1cccc1 ZINC001573704104 948366026 /nfs/dbraw/zinc/36/60/26/948366026.db2.gz PANQSFAQONHMMP-KBPBESRZSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1)c1ccco1 ZINC001573704206 948368113 /nfs/dbraw/zinc/36/81/13/948368113.db2.gz QNSKJIWDPAJCEE-CHWSQXEVSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1)c1ccco1 ZINC001573704206 948368127 /nfs/dbraw/zinc/36/81/27/948368127.db2.gz QNSKJIWDPAJCEE-CHWSQXEVSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCCO1)C(C)(C)C ZINC001573704786 948382824 /nfs/dbraw/zinc/38/28/24/948382824.db2.gz AMDKBMRBUKHUBH-OLZOCXBDSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCCO1)C(C)(C)C ZINC001573704786 948382832 /nfs/dbraw/zinc/38/28/32/948382832.db2.gz AMDKBMRBUKHUBH-OLZOCXBDSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1)C1CCCC1 ZINC001573704956 948387535 /nfs/dbraw/zinc/38/75/35/948387535.db2.gz UYMSXMSCMZGNBD-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573704956 948387540 /nfs/dbraw/zinc/38/75/40/948387540.db2.gz UYMSXMSCMZGNBD-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM O=C1CCCC[C@@H]1[C@H]1CCCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826479694 948391403 /nfs/dbraw/zinc/39/14/03/948391403.db2.gz FYNBZCXEXYNUJY-IUODEOHRSA-N -1 1 393.444 1.918 20 0 GDADMM C[C@@H](C(=O)NCCC1(CNc2ccnc(-c3nn[n-]n3)n2)CC1)C(C)(F)F ZINC001573705428 948399588 /nfs/dbraw/zinc/39/95/88/948399588.db2.gz FQBFHEYIIOJCND-JTQLQIEISA-N -1 1 380.403 1.068 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCC1(F)F)C1CC1 ZINC001573705578 948404209 /nfs/dbraw/zinc/40/42/09/948404209.db2.gz GBTXJZZHICZYNZ-PWSUYJOCSA-N -1 1 392.414 1.281 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCC1(F)F)C1CC1 ZINC001573705578 948404216 /nfs/dbraw/zinc/40/42/16/948404216.db2.gz GBTXJZZHICZYNZ-PWSUYJOCSA-N -1 1 392.414 1.281 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC001573706235 948415286 /nfs/dbraw/zinc/41/52/86/948415286.db2.gz ZNQFEBWAXBDVSP-OLZOCXBDSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC001573706235 948415295 /nfs/dbraw/zinc/41/52/95/948415295.db2.gz ZNQFEBWAXBDVSP-OLZOCXBDSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](C(=O)NCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C1CCCC1 ZINC001573706776 948425182 /nfs/dbraw/zinc/42/51/82/948425182.db2.gz LXVOFDMLYATMJL-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C1CCCC1 ZINC001573706776 948425192 /nfs/dbraw/zinc/42/51/92/948425192.db2.gz LXVOFDMLYATMJL-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cccs1 ZINC001573708205 948444799 /nfs/dbraw/zinc/44/47/99/948444799.db2.gz SIRQHLMQXDVBGD-NEPJUHHUSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cccs1 ZINC001573708205 948444807 /nfs/dbraw/zinc/44/48/07/948444807.db2.gz SIRQHLMQXDVBGD-NEPJUHHUSA-N -1 1 384.469 1.464 20 0 GDADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1CCC(OC[C@@H]2CCOC2)CC1 ZINC000826523235 948457396 /nfs/dbraw/zinc/45/73/96/948457396.db2.gz GBAYTULSQFHXCT-CYBMUJFWSA-N -1 1 381.440 1.832 20 0 GDADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1CCC(OC[C@@H]2CCOC2)CC1 ZINC000826523235 948457409 /nfs/dbraw/zinc/45/74/09/948457409.db2.gz GBAYTULSQFHXCT-CYBMUJFWSA-N -1 1 381.440 1.832 20 0 GDADMM CC(C)[C@@H](CCNC(=O)[C@H](C)C1CCCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573716532 948500694 /nfs/dbraw/zinc/50/06/94/948500694.db2.gz HHNXBKNATWAIOS-UKRRQHHQSA-N -1 1 386.504 1.848 20 0 GDADMM C[C@H](C(=O)NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1)c1ccsc1 ZINC001573717489 948508513 /nfs/dbraw/zinc/50/85/13/948508513.db2.gz CYPFTXIFEYUDCU-NSHDSACASA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1)c1ccsc1 ZINC001573717489 948508521 /nfs/dbraw/zinc/50/85/21/948508521.db2.gz CYPFTXIFEYUDCU-NSHDSACASA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](CCNC(=O)[C@@H](C)c1cccc(F)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001573719982 948531113 /nfs/dbraw/zinc/53/11/13/948531113.db2.gz ZDRUZEXWGNOPFG-RYUDHWBXSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@@H](CCNC(=O)[C@@H](C)c1cccc(F)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001573719982 948531118 /nfs/dbraw/zinc/53/11/18/948531118.db2.gz ZDRUZEXWGNOPFG-RYUDHWBXSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@@H](C(=O)NCc1ccnc(-c2nnn[n-]2)c1)c1ccc(S(C)(=O)=O)cc1 ZINC001573730585 948582055 /nfs/dbraw/zinc/58/20/55/948582055.db2.gz RSICXIOLFQTWCG-LLVKDONJSA-N -1 1 386.437 1.085 20 0 GDADMM C[C@@H](C(=O)NCc1ccnc(-c2nn[n-]n2)c1)c1ccc(S(C)(=O)=O)cc1 ZINC001573730585 948582061 /nfs/dbraw/zinc/58/20/61/948582061.db2.gz RSICXIOLFQTWCG-LLVKDONJSA-N -1 1 386.437 1.085 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)[C@H](C)n1cccn1 ZINC001573732218 948601498 /nfs/dbraw/zinc/60/14/98/948601498.db2.gz MWCMDRFOMIZQHK-YUMQZZPRSA-N -1 1 381.853 1.351 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)[C@H](C)n1cccn1 ZINC001573732218 948601502 /nfs/dbraw/zinc/60/15/02/948601502.db2.gz MWCMDRFOMIZQHK-YUMQZZPRSA-N -1 1 381.853 1.351 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H](C)c1ccc(F)c(F)c1 ZINC001573732586 948604648 /nfs/dbraw/zinc/60/46/48/948604648.db2.gz RZUXTXGHAAMMDC-UWVGGRQHSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H](C)c1ccc(F)c(F)c1 ZINC001573732586 948604655 /nfs/dbraw/zinc/60/46/55/948604655.db2.gz RZUXTXGHAAMMDC-UWVGGRQHSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cccc(F)c1 ZINC001573736508 948615931 /nfs/dbraw/zinc/61/59/31/948615931.db2.gz ZDMRTQPAZRQCGG-SMDDNHRTSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)c1c(F)cccc1F ZINC001573742043 948658772 /nfs/dbraw/zinc/65/87/72/948658772.db2.gz HQMNXIVZVXMBOZ-NXEZZACHSA-N -1 1 388.382 1.077 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H](C)c1ccc(F)cc1F ZINC001573742602 948662519 /nfs/dbraw/zinc/66/25/19/948662519.db2.gz NENKKSKWDTXJBQ-ZJUUUORDSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H](C)c1ccc(F)cc1F ZINC001573742602 948662522 /nfs/dbraw/zinc/66/25/22/948662522.db2.gz NENKKSKWDTXJBQ-ZJUUUORDSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CC1)[C@@H]1CCCO1 ZINC001573745616 948674362 /nfs/dbraw/zinc/67/43/62/948674362.db2.gz FUWLLTOAJCFNRJ-BHPKHCPMSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CC1)[C@@H]1CCCO1 ZINC001573745616 948674368 /nfs/dbraw/zinc/67/43/68/948674368.db2.gz FUWLLTOAJCFNRJ-BHPKHCPMSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cccc(F)c1 ZINC001573746832 948685724 /nfs/dbraw/zinc/68/57/24/948685724.db2.gz LPWCARUYEPIHQE-LEWSCRJBSA-N -1 1 382.403 1.659 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cccc(F)c1 ZINC001573746832 948685733 /nfs/dbraw/zinc/68/57/33/948685733.db2.gz LPWCARUYEPIHQE-LEWSCRJBSA-N -1 1 382.403 1.659 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)c1ccsc1 ZINC001573752547 948713784 /nfs/dbraw/zinc/71/37/84/948713784.db2.gz NYWMPYNDVDSYOH-NYMYIZQJSA-N -1 1 382.453 1.073 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)c1ccsc1 ZINC001573752547 948713788 /nfs/dbraw/zinc/71/37/88/948713788.db2.gz NYWMPYNDVDSYOH-NYMYIZQJSA-N -1 1 382.453 1.073 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)Cc1ccc(Cl)cc1 ZINC001574678306 948745935 /nfs/dbraw/zinc/74/59/35/948745935.db2.gz CMCNXNPPJJOTAL-LLVKDONJSA-N -1 1 386.847 1.860 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)Cc1ccc(Cl)cc1 ZINC001574678306 948745944 /nfs/dbraw/zinc/74/59/44/948745944.db2.gz CMCNXNPPJJOTAL-LLVKDONJSA-N -1 1 386.847 1.860 20 0 GDADMM C[C@@H](CNC(=O)CCc1cccnc1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574914483 948750779 /nfs/dbraw/zinc/75/07/79/948750779.db2.gz KNXHPJGISIOTPL-VIFPVBQESA-N -1 1 392.876 1.921 20 0 GDADMM C[C@@H](CNC(=O)CCc1cccnc1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574914483 948750790 /nfs/dbraw/zinc/75/07/90/948750790.db2.gz KNXHPJGISIOTPL-VIFPVBQESA-N -1 1 392.876 1.921 20 0 GDADMM C[C@H](CNC(=O)CCc1ccccc1F)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574914470 948751619 /nfs/dbraw/zinc/75/16/19/948751619.db2.gz KJIBCPLZPYXNGX-GFCCVEGCSA-N -1 1 384.419 1.370 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1csc(Cl)c1 ZINC001574678473 948752344 /nfs/dbraw/zinc/75/23/44/948752344.db2.gz GARGFLACVARSSN-QMMMGPOBSA-N -1 1 378.849 1.992 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1csc(Cl)c1 ZINC001574678473 948752354 /nfs/dbraw/zinc/75/23/54/948752354.db2.gz GARGFLACVARSSN-QMMMGPOBSA-N -1 1 378.849 1.992 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCc2cccnc21 ZINC001574678717 948755158 /nfs/dbraw/zinc/75/51/58/948755158.db2.gz IHRJFCUUOGIBDV-AAEUAGOBSA-N -1 1 379.428 1.088 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCc2cccnc21 ZINC001574678717 948755166 /nfs/dbraw/zinc/75/51/66/948755166.db2.gz IHRJFCUUOGIBDV-AAEUAGOBSA-N -1 1 379.428 1.088 20 0 GDADMM C[C@H](CNC(=O)CCc1ccccn1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574914656 948755173 /nfs/dbraw/zinc/75/51/73/948755173.db2.gz MAMXGZWYYQMMEA-SECBINFHSA-N -1 1 392.876 1.921 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)[C@@H](C)C(C)(C)C ZINC001573755165 948756284 /nfs/dbraw/zinc/75/62/84/948756284.db2.gz BNXTXTSXZNEPOQ-MXOJCPGVSA-N -1 1 384.488 1.526 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)[C@@H](C)C(C)(C)C ZINC001573755165 948756296 /nfs/dbraw/zinc/75/62/96/948756296.db2.gz BNXTXTSXZNEPOQ-MXOJCPGVSA-N -1 1 384.488 1.526 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001575222776 948758676 /nfs/dbraw/zinc/75/86/76/948758676.db2.gz JNSVCAFCJCSDCX-QWRGUYRKSA-N -1 1 392.414 1.789 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001575222776 948758683 /nfs/dbraw/zinc/75/86/83/948758683.db2.gz JNSVCAFCJCSDCX-QWRGUYRKSA-N -1 1 392.414 1.789 20 0 GDADMM CC(F)(F)CC(=O)NC1(C2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CC1 ZINC001575223787 948770340 /nfs/dbraw/zinc/77/03/40/948770340.db2.gz FNCBETMTQRFCAV-UHFFFAOYSA-N -1 1 392.414 1.567 20 0 GDADMM CC(F)(F)CC(=O)NC1(C2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CC1 ZINC001575223787 948770353 /nfs/dbraw/zinc/77/03/53/948770353.db2.gz FNCBETMTQRFCAV-UHFFFAOYSA-N -1 1 392.414 1.567 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001575223844 948771432 /nfs/dbraw/zinc/77/14/32/948771432.db2.gz GMVXEHWLFXXZIJ-WDEREUQCSA-N -1 1 378.387 1.129 20 0 GDADMM C[C@@H](CNC(=O)CCc1cccnc1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574915982 948773931 /nfs/dbraw/zinc/77/39/31/948773931.db2.gz ZYSKMAQXCSWRSX-VIFPVBQESA-N -1 1 392.876 1.921 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CCC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001575223931 948774041 /nfs/dbraw/zinc/77/40/41/948774041.db2.gz PTRKGUJWQFRGBN-QWRGUYRKSA-N -1 1 392.414 1.931 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CCC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001575223931 948774057 /nfs/dbraw/zinc/77/40/57/948774057.db2.gz PTRKGUJWQFRGBN-QWRGUYRKSA-N -1 1 392.414 1.931 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)Cc1ccc2c(c1)CCC2 ZINC001574679288 948774668 /nfs/dbraw/zinc/77/46/68/948774668.db2.gz RXYKEIGOJKGZOU-CYBMUJFWSA-N -1 1 392.467 1.695 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)Cc1ccc2c(c1)CCC2 ZINC001574679288 948774678 /nfs/dbraw/zinc/77/46/78/948774678.db2.gz RXYKEIGOJKGZOU-CYBMUJFWSA-N -1 1 392.467 1.695 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001575223912 948774576 /nfs/dbraw/zinc/77/45/76/948774576.db2.gz PEBLWCIZUOMMEJ-JTQLQIEISA-N -1 1 378.387 1.177 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001575223912 948774589 /nfs/dbraw/zinc/77/45/89/948774589.db2.gz PEBLWCIZUOMMEJ-JTQLQIEISA-N -1 1 378.387 1.177 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1c[nH]nc1C(C)(C)C ZINC001574679242 948775044 /nfs/dbraw/zinc/77/50/44/948775044.db2.gz QWVWQBRPNGLGKP-JTQLQIEISA-N -1 1 384.448 1.298 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1c[nH]nc1C(C)(C)C ZINC001574679242 948775054 /nfs/dbraw/zinc/77/50/54/948775054.db2.gz QWVWQBRPNGLGKP-JTQLQIEISA-N -1 1 384.448 1.298 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2 ZINC001575223904 948775624 /nfs/dbraw/zinc/77/56/24/948775624.db2.gz IKZDJAMDCBLIGG-WDEREUQCSA-N -1 1 378.387 1.541 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2 ZINC001575223904 948775633 /nfs/dbraw/zinc/77/56/33/948775633.db2.gz IKZDJAMDCBLIGG-WDEREUQCSA-N -1 1 378.387 1.541 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@@H](C)CCNc2cnc(-c3nnn[n-]3)cn2)s1 ZINC001574679382 948777621 /nfs/dbraw/zinc/77/76/21/948777621.db2.gz UMPNSBODXRBFBM-JTQLQIEISA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@@H](C)CCNc2cnc(-c3nn[n-]n3)cn2)s1 ZINC001574679382 948777631 /nfs/dbraw/zinc/77/76/31/948777631.db2.gz UMPNSBODXRBFBM-JTQLQIEISA-N -1 1 387.473 1.857 20 0 GDADMM CC(F)(F)CC(=O)N1C[C@@H]2CCC[C@@H](Nc3nccnc3-c3nnn[n-]3)[C@H]2C1 ZINC001575225941 948808387 /nfs/dbraw/zinc/80/83/87/948808387.db2.gz GVBAHMRCKQYOSU-SDDRHHMPSA-N -1 1 392.414 1.741 20 0 GDADMM CC(F)(F)CC(=O)N1C[C@@H]2CCC[C@@H](Nc3nccnc3-c3nn[n-]n3)[C@H]2C1 ZINC001575225941 948808403 /nfs/dbraw/zinc/80/84/03/948808403.db2.gz GVBAHMRCKQYOSU-SDDRHHMPSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccsc1Cl ZINC001574680958 948813565 /nfs/dbraw/zinc/81/35/65/948813565.db2.gz KRLIIVFTARFCNK-QMMMGPOBSA-N -1 1 378.849 1.992 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccsc1Cl ZINC001574680958 948813584 /nfs/dbraw/zinc/81/35/84/948813584.db2.gz KRLIIVFTARFCNK-QMMMGPOBSA-N -1 1 378.849 1.992 20 0 GDADMM CC(C)c1ccoc1C(=O)N1C[C@H](C)[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574421142 948814598 /nfs/dbraw/zinc/81/45/98/948814598.db2.gz HYDNKJMRQHZRBM-WCQYABFASA-N -1 1 382.428 1.946 20 0 GDADMM CC(C)c1ccoc1C(=O)N1C[C@H](C)[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574421142 948814618 /nfs/dbraw/zinc/81/46/18/948814618.db2.gz HYDNKJMRQHZRBM-WCQYABFASA-N -1 1 382.428 1.946 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001575226936 948821409 /nfs/dbraw/zinc/82/14/09/948821409.db2.gz PRGDPPUSGVHRIW-MNOVXSKESA-N -1 1 378.387 1.272 20 0 GDADMM CC(C)c1ccoc1C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574421812 948823001 /nfs/dbraw/zinc/82/30/01/948823001.db2.gz QESGWZZJGXEYDJ-HAQNSBGRSA-N -1 1 382.428 1.416 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001575227320 948826280 /nfs/dbraw/zinc/82/62/80/948826280.db2.gz SUAXENNUTKJALO-GHMZBOCLSA-N -1 1 378.387 1.272 20 0 GDADMM C[C@@H](CNC(=O)CCCc1cccs1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574917973 948831146 /nfs/dbraw/zinc/83/11/46/948831146.db2.gz DREFBUOZEYSIAO-LBPRGKRZSA-N -1 1 386.485 1.682 20 0 GDADMM C[C@@H](CNC(=O)CCCc1cccs1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574917973 948831163 /nfs/dbraw/zinc/83/11/63/948831163.db2.gz DREFBUOZEYSIAO-LBPRGKRZSA-N -1 1 386.485 1.682 20 0 GDADMM C[C@H](CNC(=O)CCCc1ccccn1)CNc1nccnc1-c1nnn[n-]1 ZINC001574918188 948834807 /nfs/dbraw/zinc/83/48/07/948834807.db2.gz GYSZUDQDPKGQNO-CYBMUJFWSA-N -1 1 381.444 1.239 20 0 GDADMM C[C@H](CNC(=O)CCCc1ccccn1)CNc1nccnc1-c1nn[n-]n1 ZINC001574918188 948834823 /nfs/dbraw/zinc/83/48/23/948834823.db2.gz GYSZUDQDPKGQNO-CYBMUJFWSA-N -1 1 381.444 1.239 20 0 GDADMM CC(C)c1ccoc1C(=O)N1C[C@@H](C)[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574422373 948835320 /nfs/dbraw/zinc/83/53/20/948835320.db2.gz ZQFBOWYZHSDAAJ-RISCZKNCSA-N -1 1 382.428 1.946 20 0 GDADMM CC(C)c1ccoc1C(=O)N1C[C@@H](C)[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574422373 948835325 /nfs/dbraw/zinc/83/53/25/948835325.db2.gz ZQFBOWYZHSDAAJ-RISCZKNCSA-N -1 1 382.428 1.946 20 0 GDADMM CC(C)c1ccoc1C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574422365 948836931 /nfs/dbraw/zinc/83/69/31/948836931.db2.gz ZOEHQKPFEUUPLP-HAQNSBGRSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1ccoc1C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574422365 948836947 /nfs/dbraw/zinc/83/69/47/948836947.db2.gz ZOEHQKPFEUUPLP-HAQNSBGRSA-N -1 1 382.428 1.994 20 0 GDADMM C[C@H](CNC(=O)CCCc1ccccn1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574918518 948850162 /nfs/dbraw/zinc/85/01/62/948850162.db2.gz MFLONXSSABWHPA-ZDUSSCGKSA-N -1 1 381.444 1.239 20 0 GDADMM C[C@H](CNC(=O)CCCc1ccccn1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574918518 948850178 /nfs/dbraw/zinc/85/01/78/948850178.db2.gz MFLONXSSABWHPA-ZDUSSCGKSA-N -1 1 381.444 1.239 20 0 GDADMM CC(C)c1nc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)nn1-c1ccccc1F ZINC001574425166 948867903 /nfs/dbraw/zinc/86/79/03/948867903.db2.gz AJDWRNAGVYEBHS-UHFFFAOYSA-N -1 1 382.363 1.685 20 0 GDADMM CC(C)c1nc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)nn1-c1ccccc1F ZINC001574425166 948867922 /nfs/dbraw/zinc/86/79/22/948867922.db2.gz AJDWRNAGVYEBHS-UHFFFAOYSA-N -1 1 382.363 1.685 20 0 GDADMM CC(F)(F)CC(=O)NC[C@]1(C)CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575231916 948868113 /nfs/dbraw/zinc/86/81/13/948868113.db2.gz APPAWXRKWXJEMM-HNNXBMFYSA-N -1 1 380.403 1.425 20 0 GDADMM CC(C)[C@]1(C)C[C@H]1C(=O)N(C)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574083203 948876559 /nfs/dbraw/zinc/87/65/59/948876559.db2.gz PZUNJFVBWJVSTK-LIRRHRJNSA-N -1 1 384.488 1.766 20 0 GDADMM CC(C)[C@]1(C)C[C@H]1C(=O)N(C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574083203 948876580 /nfs/dbraw/zinc/87/65/80/948876580.db2.gz PZUNJFVBWJVSTK-LIRRHRJNSA-N -1 1 384.488 1.766 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575233561 948888137 /nfs/dbraw/zinc/88/81/37/948888137.db2.gz LJRWSBSWBHSEML-WDEREUQCSA-N -1 1 380.403 1.211 20 0 GDADMM CC(C)(C(=O)N1CC[C@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1)C1CC1 ZINC001573764669 948895443 /nfs/dbraw/zinc/89/54/43/948895443.db2.gz PWGBRPSXUOFPFQ-IBGZPJMESA-N -1 1 382.472 1.522 20 0 GDADMM CC(C)(C(=O)N1CC[C@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1)C1CC1 ZINC001573764669 948895455 /nfs/dbraw/zinc/89/54/55/948895455.db2.gz PWGBRPSXUOFPFQ-IBGZPJMESA-N -1 1 382.472 1.522 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC(C)(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575234390 948900053 /nfs/dbraw/zinc/90/00/53/948900053.db2.gz BWBCRWGBSWWSFW-UHFFFAOYSA-N -1 1 380.403 1.307 20 0 GDADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574087926 948903876 /nfs/dbraw/zinc/90/38/76/948903876.db2.gz BMCOOBRGORPQIH-AUUYWEPGSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)[C@@]1(C)C[C@H]1C(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001574088005 948905957 /nfs/dbraw/zinc/90/59/57/948905957.db2.gz CRDZGXMZMMTECN-SSHHRWTQSA-N -1 1 382.472 1.234 20 0 GDADMM CC(C)[C@@]1(C)C[C@H]1C(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001574088005 948905970 /nfs/dbraw/zinc/90/59/70/948905970.db2.gz CRDZGXMZMMTECN-SSHHRWTQSA-N -1 1 382.472 1.234 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001575234863 948908326 /nfs/dbraw/zinc/90/83/26/948908326.db2.gz INNGFUMPYKLJSB-NEPJUHHUSA-N -1 1 392.414 1.662 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001575234863 948908333 /nfs/dbraw/zinc/90/83/33/948908333.db2.gz INNGFUMPYKLJSB-NEPJUHHUSA-N -1 1 392.414 1.662 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)Cc1cccnc1 ZINC001574685494 948910156 /nfs/dbraw/zinc/91/01/56/948910156.db2.gz XKFVPORCDNWNFU-SECBINFHSA-N -1 1 392.876 1.921 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)Cc1cccnc1 ZINC001574685494 948910168 /nfs/dbraw/zinc/91/01/68/948910168.db2.gz XKFVPORCDNWNFU-SECBINFHSA-N -1 1 392.876 1.921 20 0 GDADMM CC(F)(F)CCC(=O)N1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001575235558 948921821 /nfs/dbraw/zinc/92/18/21/948921821.db2.gz ORVJIHIEGBYCDS-NSHDSACASA-N -1 1 380.403 1.885 20 0 GDADMM CC(F)(F)CCC(=O)N1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001575235558 948921831 /nfs/dbraw/zinc/92/18/31/948921831.db2.gz ORVJIHIEGBYCDS-NSHDSACASA-N -1 1 380.403 1.885 20 0 GDADMM CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1)c1ccccc1 ZINC001573765745 948923958 /nfs/dbraw/zinc/92/39/58/948923958.db2.gz CILISZHSHXXMDM-GJZGRUSLSA-N -1 1 390.451 1.424 20 0 GDADMM CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1)c1ccccc1 ZINC001573765745 948923969 /nfs/dbraw/zinc/92/39/69/948923969.db2.gz CILISZHSHXXMDM-GJZGRUSLSA-N -1 1 390.451 1.424 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)[C@H]1CCCCO1 ZINC001573765815 948926367 /nfs/dbraw/zinc/92/63/67/948926367.db2.gz JVYPXYJSZKVERY-GXTWGEPZSA-N -1 1 386.460 1.265 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)[C@H]1CCCCO1 ZINC001573765815 948926380 /nfs/dbraw/zinc/92/63/80/948926380.db2.gz JVYPXYJSZKVERY-GXTWGEPZSA-N -1 1 386.460 1.265 20 0 GDADMM CC(C)c1ncncc1C(=O)N(C)[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574431874 948927578 /nfs/dbraw/zinc/92/75/78/948927578.db2.gz DAISLHLAXNUOIL-NSHDSACASA-N -1 1 382.432 1.143 20 0 GDADMM CC(C)c1ncncc1C(=O)N(C)[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574431874 948927583 /nfs/dbraw/zinc/92/75/83/948927583.db2.gz DAISLHLAXNUOIL-NSHDSACASA-N -1 1 382.432 1.143 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)NC1(CNc2ccc(-c3nnn[n-]3)nn2)CCOCC1 ZINC001574088624 948930336 /nfs/dbraw/zinc/93/03/36/948930336.db2.gz BQPHFTBQBXIJNO-STQMWFEESA-N -1 1 386.460 1.026 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)NC1(CNc2ccc(-c3nn[n-]n3)nn2)CCOCC1 ZINC001574088624 948930341 /nfs/dbraw/zinc/93/03/41/948930341.db2.gz BQPHFTBQBXIJNO-STQMWFEESA-N -1 1 386.460 1.026 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)NC1CC2(C1)CC(Nc1cncc(-c3nnn[n-]3)n1)C2 ZINC001574088696 948930706 /nfs/dbraw/zinc/93/07/06/948930706.db2.gz DCCZPWIKCDTOBC-LKRWXEKCSA-N -1 1 382.472 1.788 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)NC1CC2(C1)CC(Nc1cncc(-c3nn[n-]n3)n1)C2 ZINC001574088696 948930722 /nfs/dbraw/zinc/93/07/22/948930722.db2.gz DCCZPWIKCDTOBC-LKRWXEKCSA-N -1 1 382.472 1.788 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N[C@@H](C)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574432707 948940140 /nfs/dbraw/zinc/94/01/40/948940140.db2.gz BEUHLZKTILCFDV-MNOVXSKESA-N -1 1 384.448 1.133 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N[C@@H](C)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574432707 948940151 /nfs/dbraw/zinc/94/01/51/948940151.db2.gz BEUHLZKTILCFDV-MNOVXSKESA-N -1 1 384.448 1.133 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C12CCC2)C1CC1 ZINC001573771513 948942113 /nfs/dbraw/zinc/94/21/13/948942113.db2.gz JHSWLXBIXHZLPM-OLZOCXBDSA-N -1 1 382.472 1.932 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C12CCC2)C1CC1 ZINC001573771513 948942130 /nfs/dbraw/zinc/94/21/30/948942130.db2.gz JHSWLXBIXHZLPM-OLZOCXBDSA-N -1 1 382.472 1.932 20 0 GDADMM CC(C)c1ncsc1C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001574433184 948948566 /nfs/dbraw/zinc/94/85/66/948948566.db2.gz KMEXGSIQAAEEQN-UHFFFAOYSA-N -1 1 385.457 1.611 20 0 GDADMM CC(C)c1ncsc1C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001574433184 948948581 /nfs/dbraw/zinc/94/85/81/948948581.db2.gz KMEXGSIQAAEEQN-UHFFFAOYSA-N -1 1 385.457 1.611 20 0 GDADMM CC(C)[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CCO1 ZINC001574089192 948950764 /nfs/dbraw/zinc/95/07/64/948950764.db2.gz DJYMSAIQWANZRJ-RMRHIDDWSA-N -1 1 386.460 1.167 20 0 GDADMM CC(C)[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CCO1 ZINC001574089192 948950775 /nfs/dbraw/zinc/95/07/75/948950775.db2.gz DJYMSAIQWANZRJ-RMRHIDDWSA-N -1 1 386.460 1.167 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N(C)[C@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574433422 948958031 /nfs/dbraw/zinc/95/80/31/948958031.db2.gz MTDYJQQJKJVHBC-LLVKDONJSA-N -1 1 384.448 1.086 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N(C)[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574433422 948958040 /nfs/dbraw/zinc/95/80/40/948958040.db2.gz MTDYJQQJKJVHBC-LLVKDONJSA-N -1 1 384.448 1.086 20 0 GDADMM CC(C)c1ncncc1C(=O)NCC[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574433602 948960363 /nfs/dbraw/zinc/96/03/63/948960363.db2.gz YMMRYJGTHVCEQV-NSHDSACASA-N -1 1 382.432 1.191 20 0 GDADMM CC(C)c1ncncc1C(=O)NCC[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574433602 948960373 /nfs/dbraw/zinc/96/03/73/948960373.db2.gz YMMRYJGTHVCEQV-NSHDSACASA-N -1 1 382.432 1.191 20 0 GDADMM CC(C)c1ncsc1C(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574433793 948964092 /nfs/dbraw/zinc/96/40/92/948964092.db2.gz QMRVRXFETLRFMZ-UHFFFAOYSA-N -1 1 385.457 1.199 20 0 GDADMM CC(C)c1ncsc1C(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574433793 948964097 /nfs/dbraw/zinc/96/40/97/948964097.db2.gz QMRVRXFETLRFMZ-UHFFFAOYSA-N -1 1 385.457 1.199 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CCc2ccccc2C1 ZINC001574689543 948987349 /nfs/dbraw/zinc/98/73/49/948987349.db2.gz IEQZDCOUYJXNSW-CZUORRHYSA-N -1 1 392.467 1.769 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CCc2ccccc2C1 ZINC001574689543 948987362 /nfs/dbraw/zinc/98/73/62/948987362.db2.gz IEQZDCOUYJXNSW-CZUORRHYSA-N -1 1 392.467 1.769 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001573774069 949001436 /nfs/dbraw/zinc/00/14/36/949001436.db2.gz PXYHRMDQLKETRV-CQSZACIVSA-N -1 1 378.440 1.329 20 0 GDADMM CC(C)(C(=O)NC[C@H](Nc1nccnc1-c1nnn[n-]1)C1CC1)C(F)(F)F ZINC001573774299 949003068 /nfs/dbraw/zinc/00/30/68/949003068.db2.gz MDDLMRCEMPSDFS-VIFPVBQESA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)(C(=O)NC[C@H](Nc1nccnc1-c1nn[n-]n1)C1CC1)C(F)(F)F ZINC001573774299 949003079 /nfs/dbraw/zinc/00/30/79/949003079.db2.gz MDDLMRCEMPSDFS-VIFPVBQESA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@H](Nc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001574441100 949053894 /nfs/dbraw/zinc/05/38/94/949053894.db2.gz BIHXFFOMARGIOE-LBPRGKRZSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@H](Nc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001574441100 949053911 /nfs/dbraw/zinc/05/39/11/949053911.db2.gz BIHXFFOMARGIOE-LBPRGKRZSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCCCN1c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001573779440 949064674 /nfs/dbraw/zinc/06/46/74/949064674.db2.gz HZBZDIDFIDMDDG-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCCCN1c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001573779440 949064696 /nfs/dbraw/zinc/06/46/96/949064696.db2.gz HZBZDIDFIDMDDG-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)c1occc1C(=O)N1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574441614 949068241 /nfs/dbraw/zinc/06/82/41/949068241.db2.gz PEKCUGXKDYVBOE-GFCCVEGCSA-N -1 1 382.428 1.724 20 0 GDADMM CC(C)c1occc1C(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574441614 949068261 /nfs/dbraw/zinc/06/82/61/949068261.db2.gz PEKCUGXKDYVBOE-GFCCVEGCSA-N -1 1 382.428 1.724 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)Cn1ccnc1 ZINC001574694496 949076671 /nfs/dbraw/zinc/07/66/71/949076671.db2.gz PZFRJFQENVUEGI-MRVPVSSYSA-N -1 1 381.853 1.180 20 0 GDADMM CC(C)c1nocc1C(=O)NCC1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574441934 949082827 /nfs/dbraw/zinc/08/28/27/949082827.db2.gz GCXNUAMSNBRYNW-UHFFFAOYSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1nocc1C(=O)NCC1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574441934 949082845 /nfs/dbraw/zinc/08/28/45/949082845.db2.gz GCXNUAMSNBRYNW-UHFFFAOYSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001574442702 949097971 /nfs/dbraw/zinc/09/79/71/949097971.db2.gz RCOYVNLYRWLRRZ-LLVKDONJSA-N -1 1 383.416 1.024 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001574442702 949097994 /nfs/dbraw/zinc/09/79/94/949097994.db2.gz RCOYVNLYRWLRRZ-LLVKDONJSA-N -1 1 383.416 1.024 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C(F)F ZINC001573781219 949105261 /nfs/dbraw/zinc/10/52/61/949105261.db2.gz DULJWESKKSEOPA-VHSXEESVSA-N -1 1 380.403 1.067 20 0 GDADMM C[C@@H](NC(=O)C1(C(F)F)CCCC1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575250933 949120433 /nfs/dbraw/zinc/12/04/33/949120433.db2.gz JEDAWPFFAZUYLP-VHSXEESVSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@@H](NC(=O)C1(C(F)F)CCCC1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575250933 949120422 /nfs/dbraw/zinc/12/04/22/949120422.db2.gz JEDAWPFFAZUYLP-VHSXEESVSA-N -1 1 380.403 1.787 20 0 GDADMM CC(C)c1occc1C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574446238 949123476 /nfs/dbraw/zinc/12/34/76/949123476.db2.gz KSWJIFONHIXJDC-HAQNSBGRSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1occc1C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574446238 949123485 /nfs/dbraw/zinc/12/34/85/949123485.db2.gz KSWJIFONHIXJDC-HAQNSBGRSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)N1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001574093921 949123763 /nfs/dbraw/zinc/12/37/63/949123763.db2.gz TVSGFWKTVWUXJF-VHSXEESVSA-N -1 1 381.893 1.917 20 0 GDADMM CC(C)c1ocnc1C(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)[C@@H](C)C1 ZINC001574446421 949127342 /nfs/dbraw/zinc/12/73/42/949127342.db2.gz PPSVKSSKADEKME-JQWIXIFHSA-N -1 1 383.416 1.341 20 0 GDADMM CC(C)c1ocnc1C(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)[C@@H](C)C1 ZINC001574446421 949127359 /nfs/dbraw/zinc/12/73/59/949127359.db2.gz PPSVKSSKADEKME-JQWIXIFHSA-N -1 1 383.416 1.341 20 0 GDADMM CC(C)c1occc1C(=O)NC1CC(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001574446413 949128515 /nfs/dbraw/zinc/12/85/15/949128515.db2.gz PGPJUIMKFUXUAY-UHFFFAOYSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1occc1C(=O)NC1CC(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001574446413 949128528 /nfs/dbraw/zinc/12/85/28/949128528.db2.gz PGPJUIMKFUXUAY-UHFFFAOYSA-N -1 1 382.428 1.994 20 0 GDADMM C[C@@H](NC(=O)C1(C)CCCC1)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575251289 949134996 /nfs/dbraw/zinc/13/49/96/949134996.db2.gz AHYQGPZTSYSIAX-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](NC(=O)C1(Cc2ccccc2)CC1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575251365 949136919 /nfs/dbraw/zinc/13/69/19/949136919.db2.gz AZEKASDLOGRUDY-UONOGXRCSA-N -1 1 392.467 1.985 20 0 GDADMM C[C@@H](NC(=O)C1(Cc2ccccc2)CC1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575251365 949136932 /nfs/dbraw/zinc/13/69/32/949136932.db2.gz AZEKASDLOGRUDY-UONOGXRCSA-N -1 1 392.467 1.985 20 0 GDADMM CC(C)c1occc1C(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001574446778 949137978 /nfs/dbraw/zinc/13/79/78/949137978.db2.gz VVIUHKWPEDTCHW-CYBMUJFWSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1occc1C(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001574446778 949137990 /nfs/dbraw/zinc/13/79/90/949137990.db2.gz VVIUHKWPEDTCHW-CYBMUJFWSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001574446798 949138825 /nfs/dbraw/zinc/13/88/25/949138825.db2.gz WTLHDVZAEWRQJI-LLVKDONJSA-N -1 1 383.416 1.342 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001574446798 949138851 /nfs/dbraw/zinc/13/88/51/949138851.db2.gz WTLHDVZAEWRQJI-LLVKDONJSA-N -1 1 383.416 1.342 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001574696655 949139662 /nfs/dbraw/zinc/13/96/62/949139662.db2.gz TXVHIEMUCLEQNZ-SNVBAGLBSA-N -1 1 384.448 1.298 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001574696655 949139668 /nfs/dbraw/zinc/13/96/68/949139668.db2.gz TXVHIEMUCLEQNZ-SNVBAGLBSA-N -1 1 384.448 1.298 20 0 GDADMM CC(C)[C@@H]1C[C@@H](C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CCO1 ZINC001574095418 949148097 /nfs/dbraw/zinc/14/80/97/949148097.db2.gz XZNSBZABLZAVFD-AAEUAGOBSA-N -1 1 376.465 1.014 20 0 GDADMM CC(C)[C@@H]1C[C@@H](C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CCO1 ZINC001574095418 949148107 /nfs/dbraw/zinc/14/81/07/949148107.db2.gz XZNSBZABLZAVFD-AAEUAGOBSA-N -1 1 376.465 1.014 20 0 GDADMM CC(C)c1ocnc1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574447347 949159033 /nfs/dbraw/zinc/15/90/33/949159033.db2.gz MQCGCLVMUSZKOM-LLVKDONJSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001573787207 949171348 /nfs/dbraw/zinc/17/13/48/949171348.db2.gz PKQNPPSQWCTECG-HDJSIYSDSA-N -1 1 378.440 1.694 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001573787207 949171363 /nfs/dbraw/zinc/17/13/63/949171363.db2.gz PKQNPPSQWCTECG-HDJSIYSDSA-N -1 1 378.440 1.694 20 0 GDADMM C[C@@H](NC(=O)C1(F)CCCC1)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575252793 949171619 /nfs/dbraw/zinc/17/16/19/949171619.db2.gz HMAQSGYRCZPHCO-CHWSQXEVSA-N -1 1 388.451 1.660 20 0 GDADMM C[C@@H](CNC(=O)COc1cccc(Cl)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001574934844 949180017 /nfs/dbraw/zinc/18/00/17/949180017.db2.gz SKAMAPJVXKSCNW-JTQLQIEISA-N -1 1 388.819 1.306 20 0 GDADMM C[C@@H](CNC(=O)COc1cccc(Cl)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001574934844 949180033 /nfs/dbraw/zinc/18/00/33/949180033.db2.gz SKAMAPJVXKSCNW-JTQLQIEISA-N -1 1 388.819 1.306 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H](C)c1ccccc1F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574698491 949195372 /nfs/dbraw/zinc/19/53/72/949195372.db2.gz LNWGKKVJGNSJRB-RYUDHWBXSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H](C)c1ccccc1F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574698491 949195380 /nfs/dbraw/zinc/19/53/80/949195380.db2.gz LNWGKKVJGNSJRB-RYUDHWBXSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(Cl)s1)CNc1nccnc1-c1nnn[n-]1 ZINC001574935749 949206440 /nfs/dbraw/zinc/20/64/40/949206440.db2.gz FZPCTSBSDIFZFB-SECBINFHSA-N -1 1 392.876 1.779 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(Cl)s1)CNc1nccnc1-c1nn[n-]n1 ZINC001574935749 949206457 /nfs/dbraw/zinc/20/64/57/949206457.db2.gz FZPCTSBSDIFZFB-SECBINFHSA-N -1 1 392.876 1.779 20 0 GDADMM CC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)c2ccc(Cl)[nH]2)CC1 ZINC001575853308 949208083 /nfs/dbraw/zinc/20/80/83/949208083.db2.gz OZPBVIFQHTZPHH-UHFFFAOYSA-N -1 1 387.835 1.745 20 0 GDADMM CC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)c2ccc(Cl)[nH]2)CC1 ZINC001575853308 949208105 /nfs/dbraw/zinc/20/81/05/949208105.db2.gz OZPBVIFQHTZPHH-UHFFFAOYSA-N -1 1 387.835 1.745 20 0 GDADMM C[C@@H](NC(=O)C1(F)CCCC1)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575254648 949208611 /nfs/dbraw/zinc/20/86/11/949208611.db2.gz NNMVVFFSSBAOJH-CHWSQXEVSA-N -1 1 388.451 1.660 20 0 GDADMM C[C@@H](NC(=O)C1(F)CCCC1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575254648 949208631 /nfs/dbraw/zinc/20/86/31/949208631.db2.gz NNMVVFFSSBAOJH-CHWSQXEVSA-N -1 1 388.451 1.660 20 0 GDADMM CC(C)c1scnc1C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574451100 949210687 /nfs/dbraw/zinc/21/06/87/949210687.db2.gz BTEGBMTWUKLSRF-UHFFFAOYSA-N -1 1 385.457 1.033 20 0 GDADMM C[C@H](NC(=O)C1(C(F)F)CC1)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575254800 949218961 /nfs/dbraw/zinc/21/89/61/949218961.db2.gz XWXGHLZHMWIFQH-WDEREUQCSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@H](NC(=O)C1(C(F)F)CC1)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575254800 949218982 /nfs/dbraw/zinc/21/89/82/949218982.db2.gz XWXGHLZHMWIFQH-WDEREUQCSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@@H](CNC(=O)Cc1c(F)cccc1F)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574937314 949224098 /nfs/dbraw/zinc/22/40/98/949224098.db2.gz OFGAXYHLKCIIEJ-SNVBAGLBSA-N -1 1 388.382 1.342 20 0 GDADMM C[C@@H](CNC(=O)Cc1c(F)cccc1F)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574937314 949224113 /nfs/dbraw/zinc/22/41/13/949224113.db2.gz OFGAXYHLKCIIEJ-SNVBAGLBSA-N -1 1 388.382 1.342 20 0 GDADMM CC(C)c1scnc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001574451334 949227490 /nfs/dbraw/zinc/22/74/90/949227490.db2.gz MVDKHWIUALOSFW-UHFFFAOYSA-N -1 1 385.457 1.199 20 0 GDADMM CC(C)c1scnc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001574451334 949227513 /nfs/dbraw/zinc/22/75/13/949227513.db2.gz MVDKHWIUALOSFW-UHFFFAOYSA-N -1 1 385.457 1.199 20 0 GDADMM C[C@@H](CNC(=O)Cc1c[nH]c2ccccc12)Nc1nccnc1-c1nnn[n-]1 ZINC001574938394 949240517 /nfs/dbraw/zinc/24/05/17/949240517.db2.gz UWAQASABEOCXMX-NSHDSACASA-N -1 1 377.412 1.297 20 0 GDADMM C[C@@H](CNC(=O)Cc1c[nH]c2ccccc12)Nc1nccnc1-c1nn[n-]n1 ZINC001574938394 949240535 /nfs/dbraw/zinc/24/05/35/949240535.db2.gz UWAQASABEOCXMX-NSHDSACASA-N -1 1 377.412 1.297 20 0 GDADMM C[C@H]1CCC[C@@H](C(=O)N2CCC(N(C)c3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001576152207 949243339 /nfs/dbraw/zinc/24/33/39/949243339.db2.gz IZNLLCJYOGKZEA-UONOGXRCSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)n1cc(C(=O)NC[C@@H](Nc2nccnc2-c2nnn[n-]2)C2CC2)cn1 ZINC001574451961 949246854 /nfs/dbraw/zinc/24/68/54/949246854.db2.gz BZZKJEGTAJZJQQ-CYBMUJFWSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cc(C(=O)NC[C@@H](Nc2nccnc2-c2nn[n-]n2)C2CC2)cn1 ZINC001574451961 949246879 /nfs/dbraw/zinc/24/68/79/949246879.db2.gz BZZKJEGTAJZJQQ-CYBMUJFWSA-N -1 1 382.432 1.055 20 0 GDADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001575856753 949257421 /nfs/dbraw/zinc/25/74/21/949257421.db2.gz JVLVOSOVGQQJLV-UHFFFAOYSA-N -1 1 382.403 1.903 20 0 GDADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001575856753 949257443 /nfs/dbraw/zinc/25/74/43/949257443.db2.gz JVLVOSOVGQQJLV-UHFFFAOYSA-N -1 1 382.403 1.903 20 0 GDADMM CC(C)n1cc(C(=O)NCC2(Nc3cncc(-c4nnn[n-]4)n3)CCC2)cn1 ZINC001574452272 949260353 /nfs/dbraw/zinc/26/03/53/949260353.db2.gz IMWWYYBFIGTLDP-UHFFFAOYSA-N -1 1 382.432 1.199 20 0 GDADMM CC(C)n1cc(C(=O)NCC2(Nc3cncc(-c4nn[n-]n4)n3)CCC2)cn1 ZINC001574452272 949260371 /nfs/dbraw/zinc/26/03/71/949260371.db2.gz IMWWYYBFIGTLDP-UHFFFAOYSA-N -1 1 382.432 1.199 20 0 GDADMM CC(C)n1cc(C(=O)NC2CC(CNc3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001574452533 949262891 /nfs/dbraw/zinc/26/28/91/949262891.db2.gz MMSOMOHDDWGCJJ-UHFFFAOYSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cc(C(=O)NC2CC(CNc3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001574452533 949262914 /nfs/dbraw/zinc/26/29/14/949262914.db2.gz MMSOMOHDDWGCJJ-UHFFFAOYSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@H]1CCC[C@@H](OCC(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001576153338 949278860 /nfs/dbraw/zinc/27/88/60/949278860.db2.gz LYGWFVXQFDKVPR-IGQOVBAYSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@H]1CCC[C@@H](OCC(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001576153338 949278882 /nfs/dbraw/zinc/27/88/82/949278882.db2.gz LYGWFVXQFDKVPR-IGQOVBAYSA-N -1 1 386.460 1.311 20 0 GDADMM CC1=C(C)C[C@](C)(C(=O)N(C)[C@@H](C)CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575860199 949292100 /nfs/dbraw/zinc/29/21/00/949292100.db2.gz DFZOKJOKJXKEDS-IFXJQAMLSA-N -1 1 384.488 1.864 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@]1(F)CCOC1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574703090 949307506 /nfs/dbraw/zinc/30/75/06/949307506.db2.gz QNFOACKAGSWKSP-WPPNPWJKSA-N -1 1 389.844 1.364 20 0 GDADMM CC(C)(C)C(=O)N1C[C@@H]2CN(c3snc(Cl)c3-c3nnn[n-]3)C[C@@H]2C1 ZINC001573794186 949310859 /nfs/dbraw/zinc/31/08/59/949310859.db2.gz CCDLNIFIKWQOSH-DTORHVGOSA-N -1 1 381.893 1.917 20 0 GDADMM CC(C)(C)C(=O)N1C[C@@H]2CN(c3snc(Cl)c3-c3nn[n-]n3)C[C@@H]2C1 ZINC001573794186 949310882 /nfs/dbraw/zinc/31/08/82/949310882.db2.gz CCDLNIFIKWQOSH-DTORHVGOSA-N -1 1 381.893 1.917 20 0 GDADMM CC1(C(=O)N(CCNc2ccnc(-c3nn[n-]n3)n2)CCc2ccccc2)CC1 ZINC001575524392 949313149 /nfs/dbraw/zinc/31/31/49/949313149.db2.gz HNBAKUHTZUXETF-UHFFFAOYSA-N -1 1 392.467 1.362 20 0 GDADMM C[C@H](CN(C)C(=O)[C@]1(C)CCc2ccccc21)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574703402 949327199 /nfs/dbraw/zinc/32/71/99/949327199.db2.gz VRKLBBCGZFHIBI-ZUOKHONESA-N -1 1 392.467 1.820 20 0 GDADMM C[C@H](CN(C)C(=O)[C@]1(C)CCc2ccccc21)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574703402 949327214 /nfs/dbraw/zinc/32/72/14/949327214.db2.gz VRKLBBCGZFHIBI-ZUOKHONESA-N -1 1 392.467 1.820 20 0 GDADMM C[C@]12CC[N@@H+](Cc3cc(=O)n4[n-]cc(-c5nnn[n-]5)c4n3)C[C@H]1C2(Cl)Cl ZINC001575861938 949333937 /nfs/dbraw/zinc/33/39/37/949333937.db2.gz XCOBOZSONVRAQL-YGRLFVJLSA-N -1 1 395.254 1.631 20 0 GDADMM CC1=CC[C@@](C)(C(=O)N2C[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)[C@H](C)C2)CC1 ZINC001575863413 949349849 /nfs/dbraw/zinc/34/98/49/949349849.db2.gz CKANMGJLPKTFLK-STXHMFSFSA-N -1 1 396.499 1.722 20 0 GDADMM C[C@@H]1CCC[C@H]1CC(=O)NC1(C)CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001576154561 949349927 /nfs/dbraw/zinc/34/99/27/949349927.db2.gz DWTVCJNIQJQVMR-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCC[C@H]1CC(=O)NC1(C)CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001576154561 949349951 /nfs/dbraw/zinc/34/99/51/949349951.db2.gz DWTVCJNIQJQVMR-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](NC(=O)C1C=CC=CC=C1)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575260600 949357360 /nfs/dbraw/zinc/35/73/60/949357360.db2.gz WCPOWIZPNPQYHJ-ZBFHGGJFSA-N -1 1 392.467 1.676 20 0 GDADMM C[C@@H](NC(=O)C1C=CC=CC=C1)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575260600 949357388 /nfs/dbraw/zinc/35/73/88/949357388.db2.gz WCPOWIZPNPQYHJ-ZBFHGGJFSA-N -1 1 392.467 1.676 20 0 GDADMM C[C@@H](NC(=O)C1CC(F)(F)C1)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575260992 949369499 /nfs/dbraw/zinc/36/94/99/949369499.db2.gz ZDLPZCAFWZMQFJ-MNOVXSKESA-N -1 1 392.414 1.423 20 0 GDADMM C[C@@H](NC(=O)C1CC(F)(F)C1)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575260992 949369521 /nfs/dbraw/zinc/36/95/21/949369521.db2.gz ZDLPZCAFWZMQFJ-MNOVXSKESA-N -1 1 392.414 1.423 20 0 GDADMM C[C@H]1CCC[C@@]1(C)C(=O)N(C)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576154908 949370156 /nfs/dbraw/zinc/37/01/56/949370156.db2.gz SFHVPAGIYWBKFJ-ORAYPTAESA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](NC(=O)CC(C)(F)F)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575262440 949371831 /nfs/dbraw/zinc/37/18/31/949371831.db2.gz AJISXZZATGUHLK-QWRGUYRKSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H](NC(=O)CC(C)(F)F)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575262440 949371854 /nfs/dbraw/zinc/37/18/54/949371854.db2.gz AJISXZZATGUHLK-QWRGUYRKSA-N -1 1 380.403 1.423 20 0 GDADMM CC1(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)nn2)CCCCC1 ZINC001575528272 949391972 /nfs/dbraw/zinc/39/19/72/949391972.db2.gz QFWHAEBVZKUFTI-OKILXGFUSA-N -1 1 382.472 1.807 20 0 GDADMM CC1(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)nn2)CCCCC1 ZINC001575528272 949391995 /nfs/dbraw/zinc/39/19/95/949391995.db2.gz QFWHAEBVZKUFTI-OKILXGFUSA-N -1 1 382.472 1.807 20 0 GDADMM CC1(C(=O)N2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3N(c3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575528289 949394296 /nfs/dbraw/zinc/39/42/96/949394296.db2.gz QSTOBDZDZMXWPR-XUXIUFHCSA-N -1 1 380.456 1.130 20 0 GDADMM C[C@@H](NC(=O)C1Cc2ccccc2C1)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575263588 949401422 /nfs/dbraw/zinc/40/14/22/949401422.db2.gz IGFYDHFABOGZPV-VXGBXAGGSA-N -1 1 378.440 1.377 20 0 GDADMM C[C@@H](NC(=O)C1Cc2ccccc2C1)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575263588 949401430 /nfs/dbraw/zinc/40/14/30/949401430.db2.gz IGFYDHFABOGZPV-VXGBXAGGSA-N -1 1 378.440 1.377 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574464252 949402465 /nfs/dbraw/zinc/40/24/65/949402465.db2.gz HRJIJOHWUGMQGO-JOCQHMNTSA-N -1 1 381.444 1.660 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574464252 949402484 /nfs/dbraw/zinc/40/24/84/949402484.db2.gz HRJIJOHWUGMQGO-JOCQHMNTSA-N -1 1 381.444 1.660 20 0 GDADMM C[C@@H](NC(=O)CC(C)(F)F)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575263785 949407390 /nfs/dbraw/zinc/40/73/90/949407390.db2.gz JMTQBLWZLFFUHU-GHMZBOCLSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](NC(=O)CC(C)(F)F)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575263785 949407401 /nfs/dbraw/zinc/40/74/01/949407401.db2.gz JMTQBLWZLFFUHU-GHMZBOCLSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](NC(=O)CC(F)(F)C(F)F)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575263838 949410300 /nfs/dbraw/zinc/41/03/00/949410300.db2.gz KBQSRMXZZGPOGD-RQJHMYQMSA-N -1 1 376.318 1.252 20 0 GDADMM C[C@@H](NC(=O)CC(F)(F)C(F)F)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575263838 949410318 /nfs/dbraw/zinc/41/03/18/949410318.db2.gz KBQSRMXZZGPOGD-RQJHMYQMSA-N -1 1 376.318 1.252 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2(C(F)F)CCC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575867376 949434828 /nfs/dbraw/zinc/43/48/28/949434828.db2.gz JLPQNHATWSQFGC-QWRGUYRKSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2(C(F)F)CCC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575867376 949434844 /nfs/dbraw/zinc/43/48/44/949434844.db2.gz JLPQNHATWSQFGC-QWRGUYRKSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CC(C)(C)O ZINC001576156196 949437851 /nfs/dbraw/zinc/43/78/51/949437851.db2.gz MCVACSKZIGEDMD-SGTLLEGYSA-N -1 1 388.476 1.295 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CC(C)(C)O ZINC001576156196 949437866 /nfs/dbraw/zinc/43/78/66/949437866.db2.gz MCVACSKZIGEDMD-SGTLLEGYSA-N -1 1 388.476 1.295 20 0 GDADMM C[C@H]1CCC[C@]1(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001576156658 949456249 /nfs/dbraw/zinc/45/62/49/949456249.db2.gz ZAAHZLNTHNPDBP-PJHJGJPPSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C(C)(C)C2CCC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575868341 949457279 /nfs/dbraw/zinc/45/72/79/949457279.db2.gz NAXRYEKIURAZBS-OCCSQVGLSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C(C)(C)C2CCC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575868341 949457292 /nfs/dbraw/zinc/45/72/92/949457292.db2.gz NAXRYEKIURAZBS-OCCSQVGLSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H]1[C@H](NC(=O)C(C2CC2)C2CC2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575868467 949462718 /nfs/dbraw/zinc/46/27/18/949462718.db2.gz NSIHPUYUQVZUGR-SMDDNHRTSA-N -1 1 382.472 1.566 20 0 GDADMM C[C@H]1[C@H](NC(=O)C(C2CC2)C2CC2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575868467 949462735 /nfs/dbraw/zinc/46/27/35/949462735.db2.gz NSIHPUYUQVZUGR-SMDDNHRTSA-N -1 1 382.472 1.566 20 0 GDADMM CC1(C(=O)N2CCC3(CC2)CCN(c2cnc(-c4nnn[n-]4)cn2)CC3)CC1 ZINC001575536332 949467403 /nfs/dbraw/zinc/46/74/03/949467403.db2.gz HDALYYGUHHPVDS-UHFFFAOYSA-N -1 1 382.472 1.666 20 0 GDADMM CC1(C(=O)N2CCC3(CC2)CCN(c2cnc(-c4nn[n-]n4)cn2)CC3)CC1 ZINC001575536332 949467411 /nfs/dbraw/zinc/46/74/11/949467411.db2.gz HDALYYGUHHPVDS-UHFFFAOYSA-N -1 1 382.472 1.666 20 0 GDADMM CC1(C(=O)N2CC[C@]3(C2)CCCN(c2cnc(-c4nnn[n-]4)cn2)C3)CCC1 ZINC001575536614 949476990 /nfs/dbraw/zinc/47/69/90/949476990.db2.gz KQMYZULFABHJDO-LJQANCHMSA-N -1 1 382.472 1.666 20 0 GDADMM CC1(C(=O)N2CC[C@]3(C2)CCCN(c2cnc(-c4nn[n-]n4)cn2)C3)CCC1 ZINC001575536614 949477003 /nfs/dbraw/zinc/47/70/03/949477003.db2.gz KQMYZULFABHJDO-LJQANCHMSA-N -1 1 382.472 1.666 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cocn1 ZINC001576157388 949482044 /nfs/dbraw/zinc/48/20/44/949482044.db2.gz QBYBJBLOWCFSKI-DIFFPNOSSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cocn1 ZINC001576157388 949482054 /nfs/dbraw/zinc/48/20/54/949482054.db2.gz QBYBJBLOWCFSKI-DIFFPNOSSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccon1 ZINC001576157471 949485619 /nfs/dbraw/zinc/48/56/19/949485619.db2.gz QVTIYGDHMJSTKQ-GTNSWQLSSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccon1 ZINC001576157471 949485640 /nfs/dbraw/zinc/48/56/40/949485640.db2.gz QVTIYGDHMJSTKQ-GTNSWQLSSA-N -1 1 383.416 1.436 20 0 GDADMM CC(C)n1nccc1C(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574469921 949486722 /nfs/dbraw/zinc/48/67/22/949486722.db2.gz JRJOPLVGAKNDFP-UHFFFAOYSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1nccc1C(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574469921 949486731 /nfs/dbraw/zinc/48/67/31/949486731.db2.gz JRJOPLVGAKNDFP-UHFFFAOYSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)(C)C(=O)NCc1ccc(CCNc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001573806470 949488433 /nfs/dbraw/zinc/48/84/33/949488433.db2.gz OPVVNACTOQRPIF-UHFFFAOYSA-N -1 1 380.456 1.396 20 0 GDADMM CC(C)n1nnnc1-c1cccc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)c1 ZINC001574470287 949495503 /nfs/dbraw/zinc/49/55/03/949495503.db2.gz AQORRCQGWXIMKN-UHFFFAOYSA-N -1 1 390.411 1.677 20 0 GDADMM CC(C)n1nnnc1-c1cccc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)c1 ZINC001574470287 949495516 /nfs/dbraw/zinc/49/55/16/949495516.db2.gz AQORRCQGWXIMKN-UHFFFAOYSA-N -1 1 390.411 1.677 20 0 GDADMM C[C@@H](CN(C)C(=O)C1CCC(F)(F)CC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574708810 949496856 /nfs/dbraw/zinc/49/68/56/949496856.db2.gz XFZHTLUPCHVBMT-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CN(C)C(=O)C1CCC(F)(F)CC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574708810 949496867 /nfs/dbraw/zinc/49/68/67/949496867.db2.gz XFZHTLUPCHVBMT-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2(C(F)F)CC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575871057 949504873 /nfs/dbraw/zinc/50/48/73/949504873.db2.gz YFJRKRLAMMROQM-VHSXEESVSA-N -1 1 378.387 1.176 20 0 GDADMM C[C@H](CNC(=O)[C@@H](C)OCc1ccccc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574950143 949527209 /nfs/dbraw/zinc/52/72/09/949527209.db2.gz LRHIIFHVYXHYCO-CHWSQXEVSA-N -1 1 382.428 1.179 20 0 GDADMM C[C@H](CNC(=O)[C@@H](C)OCc1ccccc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574950143 949527227 /nfs/dbraw/zinc/52/72/27/949527227.db2.gz LRHIIFHVYXHYCO-CHWSQXEVSA-N -1 1 382.428 1.179 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H](C)NC(=O)CC1(C(F)(F)F)CC1 ZINC001575268797 949532378 /nfs/dbraw/zinc/53/23/78/949532378.db2.gz PHTKYVOYROBKMQ-DTWKUNHWSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H](C)NC(=O)CC1(C(F)(F)F)CC1 ZINC001575268797 949532399 /nfs/dbraw/zinc/53/23/99/949532399.db2.gz PHTKYVOYROBKMQ-DTWKUNHWSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@H](CN(C)C(=O)C1Cc2ccccc2C1)Nc1nccnc1-c1nnn[n-]1 ZINC001574711663 949545760 /nfs/dbraw/zinc/54/57/60/949545760.db2.gz KFGZVHYPYZHYPY-GFCCVEGCSA-N -1 1 378.440 1.331 20 0 GDADMM C[C@H](CN(C)C(=O)C1Cc2ccccc2C1)Nc1nccnc1-c1nn[n-]n1 ZINC001574711663 949545776 /nfs/dbraw/zinc/54/57/76/949545776.db2.gz KFGZVHYPYZHYPY-GFCCVEGCSA-N -1 1 378.440 1.331 20 0 GDADMM C[C@H]1CCCN(C(=O)CC2(C)CC2)[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576164581 949558934 /nfs/dbraw/zinc/55/89/34/949558934.db2.gz HOLZZHRTCSUMOR-KBPBESRZSA-N -1 1 384.488 1.698 20 0 GDADMM C[C@H](CC(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1)CC(C)(C)C ZINC001574475762 949571731 /nfs/dbraw/zinc/57/17/31/949571731.db2.gz BUVRGZPPELTMSK-CHWSQXEVSA-N -1 1 390.492 1.350 20 0 GDADMM C[C@H](CC(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1)CC(C)(C)C ZINC001574475762 949571755 /nfs/dbraw/zinc/57/17/55/949571755.db2.gz BUVRGZPPELTMSK-CHWSQXEVSA-N -1 1 390.492 1.350 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CCC(C)(F)F)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575873163 949572228 /nfs/dbraw/zinc/57/22/28/949572228.db2.gz NYHHFZXWMUXKHZ-MNOVXSKESA-N -1 1 380.403 1.566 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2CC(F)(F)C2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575873174 949573860 /nfs/dbraw/zinc/57/38/60/949573860.db2.gz ODCDXZPDGWFDLW-MWLCHTKSSA-N -1 1 378.387 1.176 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2CCCCC2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576165967 949575512 /nfs/dbraw/zinc/57/55/12/949575512.db2.gz KREGWEYOKOZWQO-HIFRSBDPSA-N -1 1 384.488 1.698 20 0 GDADMM CC(C)CC(=O)Nc1ccc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1F ZINC001574124686 949577650 /nfs/dbraw/zinc/57/76/50/949577650.db2.gz JPKVPIJGWXXNPU-UHFFFAOYSA-N -1 1 386.391 1.976 20 0 GDADMM CC(C)CC(=O)Nc1ccc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1F ZINC001574124686 949577668 /nfs/dbraw/zinc/57/76/68/949577668.db2.gz JPKVPIJGWXXNPU-UHFFFAOYSA-N -1 1 386.391 1.976 20 0 GDADMM CC1(C(=O)N2CCC[C@H]3[C@H]2CCN3c2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001575545648 949600443 /nfs/dbraw/zinc/60/04/43/949600443.db2.gz MUPDARMAOLKGQI-UONOGXRCSA-N -1 1 382.472 1.807 20 0 GDADMM C[C@H](CNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574957548 949619949 /nfs/dbraw/zinc/61/99/49/949619949.db2.gz ATTLMUUJIACYSH-RCDCFZSISA-N -1 1 392.467 1.791 20 0 GDADMM C[C@H](CNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574957548 949619957 /nfs/dbraw/zinc/61/99/57/949619957.db2.gz ATTLMUUJIACYSH-RCDCFZSISA-N -1 1 392.467 1.791 20 0 GDADMM C[C@]1(C(=O)N2CCCCC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CCOC1 ZINC001575547266 949622737 /nfs/dbraw/zinc/62/27/37/949622737.db2.gz WMHCJZGLRWFJMN-UGSOOPFHSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@]1(C(=O)N2CCCCC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CCOC1 ZINC001575547266 949622748 /nfs/dbraw/zinc/62/27/48/949622748.db2.gz WMHCJZGLRWFJMN-UGSOOPFHSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@H](CC(=O)N(C)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001574477056 949634433 /nfs/dbraw/zinc/63/44/33/949634433.db2.gz ODKPNQDIMYNOAP-ZIAGYGMSSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@H](CC(=O)N(C)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001574477056 949634451 /nfs/dbraw/zinc/63/44/51/949634451.db2.gz ODKPNQDIMYNOAP-ZIAGYGMSSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H]1CCCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576168565 949645710 /nfs/dbraw/zinc/64/57/10/949645710.db2.gz BZFRGYAKTRMNIE-NJURLYQPSA-N -1 1 382.472 1.742 20 0 GDADMM C[C@@H]1CCCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576168565 949645726 /nfs/dbraw/zinc/64/57/26/949645726.db2.gz BZFRGYAKTRMNIE-NJURLYQPSA-N -1 1 382.472 1.742 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2C=CC=CC=C2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576168782 949649841 /nfs/dbraw/zinc/64/98/41/949649841.db2.gz WBHSPFRFECCKER-PBHICJAKSA-N -1 1 392.467 1.994 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2C=CC=CC=C2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576168782 949649848 /nfs/dbraw/zinc/64/98/48/949649848.db2.gz WBHSPFRFECCKER-PBHICJAKSA-N -1 1 392.467 1.994 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001573815597 949656920 /nfs/dbraw/zinc/65/69/20/949656920.db2.gz JBJULJQCKGQCST-COMQUAJESA-N -1 1 384.488 1.458 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2CC3(CC3)C2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576169435 949676464 /nfs/dbraw/zinc/67/64/64/949676464.db2.gz XVWSHNPVYXBXBU-IUODEOHRSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2CC3(CC3)C2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576169435 949676476 /nfs/dbraw/zinc/67/64/76/949676476.db2.gz XVWSHNPVYXBXBU-IUODEOHRSA-N -1 1 382.472 1.886 20 0 GDADMM CC(C)CC(C)(C)C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001574132360 949695525 /nfs/dbraw/zinc/69/55/25/949695525.db2.gz XYLJTMXGWFVFGD-CYBMUJFWSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)CC(C)(C)C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001574132360 949695533 /nfs/dbraw/zinc/69/55/33/949695533.db2.gz XYLJTMXGWFVFGD-CYBMUJFWSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CCc2ccoc2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575880207 949698502 /nfs/dbraw/zinc/69/85/02/949698502.db2.gz SGDNHFBPBHVCMV-JSGCOSHPSA-N -1 1 382.428 1.356 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CCc2ccoc2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575880207 949698514 /nfs/dbraw/zinc/69/85/14/949698514.db2.gz SGDNHFBPBHVCMV-JSGCOSHPSA-N -1 1 382.428 1.356 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cc[nH]c(=O)c1 ZINC001573817343 949704689 /nfs/dbraw/zinc/70/46/89/949704689.db2.gz ZOZCMSITAVJRRH-GFCCVEGCSA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cc[nH]c(=O)c1 ZINC001573817343 949704706 /nfs/dbraw/zinc/70/47/06/949704706.db2.gz ZOZCMSITAVJRRH-GFCCVEGCSA-N -1 1 383.416 1.014 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CCc2ccoc2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575881250 949714868 /nfs/dbraw/zinc/71/48/68/949714868.db2.gz WSHZNRAROOWIED-OCCSQVGLSA-N -1 1 382.428 1.356 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CCc2ccoc2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575881250 949714880 /nfs/dbraw/zinc/71/48/80/949714880.db2.gz WSHZNRAROOWIED-OCCSQVGLSA-N -1 1 382.428 1.356 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccsc1)CNc1nccnc1-c1nnn[n-]1 ZINC001574960923 949728540 /nfs/dbraw/zinc/72/85/40/949728540.db2.gz YIVLQDAKXYNKLC-KGYLQXTDSA-N -1 1 384.469 1.686 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccsc1)CNc1nccnc1-c1nn[n-]n1 ZINC001574960923 949728558 /nfs/dbraw/zinc/72/85/58/949728558.db2.gz YIVLQDAKXYNKLC-KGYLQXTDSA-N -1 1 384.469 1.686 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N1CC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001574135735 949733808 /nfs/dbraw/zinc/73/38/08/949733808.db2.gz MAWZIZAIGHHBHW-QLFBSQMISA-N -1 1 384.488 1.766 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N1CC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001574135735 949733818 /nfs/dbraw/zinc/73/38/18/949733818.db2.gz MAWZIZAIGHHBHW-QLFBSQMISA-N -1 1 384.488 1.766 20 0 GDADMM CC1(C(=O)N2C[C@@]3(C)CN(c4cncc(-c5nnn[n-]5)n4)C[C@@]3(C)C2)CCC1 ZINC001575559245 949749377 /nfs/dbraw/zinc/74/93/77/949749377.db2.gz VQOZFKWNBJETCE-KDURUIRLSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C(=O)N2C[C@@]3(C)CN(c4cncc(-c5nn[n-]n5)n4)C[C@@]3(C)C2)CCC1 ZINC001575559245 949749395 /nfs/dbraw/zinc/74/93/95/949749395.db2.gz VQOZFKWNBJETCE-KDURUIRLSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H]1CC[C@H](C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)[C@@H]2C)CC1 ZINC001575882081 949751306 /nfs/dbraw/zinc/75/13/06/949751306.db2.gz GAYIMOGIHNPALJ-KBUPBQIOSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H]1CC[C@H](C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)[C@@H]2C)CC1 ZINC001575882081 949751320 /nfs/dbraw/zinc/75/13/20/949751320.db2.gz GAYIMOGIHNPALJ-KBUPBQIOSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001574480866 949759160 /nfs/dbraw/zinc/75/91/60/949759160.db2.gz KUKGEVGCFJEKHX-KBPBESRZSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574480866 949759182 /nfs/dbraw/zinc/75/91/82/949759182.db2.gz KUKGEVGCFJEKHX-KBPBESRZSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@@H](NC(=O)CCOc1ccccc1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575277899 949759505 /nfs/dbraw/zinc/75/95/05/949759505.db2.gz SFSPKEXFSWZQSH-QWHCGFSZSA-N -1 1 382.428 1.431 20 0 GDADMM C[C@@H](NC(=O)CCOc1ccccc1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575277899 949759523 /nfs/dbraw/zinc/75/95/23/949759523.db2.gz SFSPKEXFSWZQSH-QWHCGFSZSA-N -1 1 382.428 1.431 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001574480844 949760011 /nfs/dbraw/zinc/76/00/11/949760011.db2.gz KODTVXLKXGZCLX-KBPBESRZSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001574480844 949760022 /nfs/dbraw/zinc/76/00/22/949760022.db2.gz KODTVXLKXGZCLX-KBPBESRZSA-N -1 1 381.444 1.147 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N1CC[C@@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574137500 949760974 /nfs/dbraw/zinc/76/09/74/949760974.db2.gz VAONAKGKXRHAOV-KUHUBIRLSA-N -1 1 386.504 1.801 20 0 GDADMM C[C@H](CN(C)C(=O)CC[C@@H]1CC(C)(C)CO1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574718493 949779931 /nfs/dbraw/zinc/77/99/31/949779931.db2.gz YBBFJNDUIUDUOL-CHWSQXEVSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CN(C)C(=O)CC[C@@H]1CC(C)(C)CO1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574718493 949779945 /nfs/dbraw/zinc/77/99/45/949779945.db2.gz YBBFJNDUIUDUOL-CHWSQXEVSA-N -1 1 388.476 1.511 20 0 GDADMM CC1(C(=O)N[C@@H]2CC23CCN(c2ccnc(-c4nn[n-]n4)n2)CC3)CCCC1 ZINC001575560209 949781058 /nfs/dbraw/zinc/78/10/58/949781058.db2.gz MJWPZALSWVLZGY-CYBMUJFWSA-N -1 1 382.472 1.712 20 0 GDADMM C[C@@H]1CCCN(C(=O)COC(C)(C)C)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576172242 949797888 /nfs/dbraw/zinc/79/78/88/949797888.db2.gz VSGLWVOGSYBHMV-OCCSQVGLSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H]1CCCN(C(=O)COC(C)(C)C)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576172242 949797913 /nfs/dbraw/zinc/79/79/13/949797913.db2.gz VSGLWVOGSYBHMV-OCCSQVGLSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H]1CCCC[C@H]1C(=O)N1CCC(N(C)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576172323 949799623 /nfs/dbraw/zinc/79/96/23/949799623.db2.gz TZISXXTZNIMBFS-UKRRQHHQSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001574481794 949803394 /nfs/dbraw/zinc/80/33/94/949803394.db2.gz VPTHPHIDQWUODC-CHWSQXEVSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001574481794 949803415 /nfs/dbraw/zinc/80/34/15/949803415.db2.gz VPTHPHIDQWUODC-CHWSQXEVSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@@H]1CCCC[C@@H]1C(=O)N(C)CCOCCNc1nccnc1-c1nnn[n-]1 ZINC001576172431 949807314 /nfs/dbraw/zinc/80/73/14/949807314.db2.gz UVCSBZNKHWVFDC-KGLIPLIRSA-N -1 1 388.476 1.370 20 0 GDADMM C[C@@H]1CCCC[C@@H]1C(=O)N(C)CCOCCNc1nccnc1-c1nn[n-]n1 ZINC001576172431 949807343 /nfs/dbraw/zinc/80/73/43/949807343.db2.gz UVCSBZNKHWVFDC-KGLIPLIRSA-N -1 1 388.476 1.370 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C1(C(F)F)CC1 ZINC001573822948 949810741 /nfs/dbraw/zinc/81/07/41/949810741.db2.gz NZMLNGIKRVNRKB-VIFPVBQESA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C1(C(F)F)CC1 ZINC001573822948 949810768 /nfs/dbraw/zinc/81/07/68/949810768.db2.gz NZMLNGIKRVNRKB-VIFPVBQESA-N -1 1 380.403 1.645 20 0 GDADMM C[C@@H](NC(=O)COc1ccc(F)cc1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575281516 949813950 /nfs/dbraw/zinc/81/39/50/949813950.db2.gz GVNJGAZLWMUAFN-WDEREUQCSA-N -1 1 386.391 1.180 20 0 GDADMM C[C@@H](NC(=O)COc1ccc(F)cc1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575281516 949813973 /nfs/dbraw/zinc/81/39/73/949813973.db2.gz GVNJGAZLWMUAFN-WDEREUQCSA-N -1 1 386.391 1.180 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C1CCC(O)CC1 ZINC001573823031 949814675 /nfs/dbraw/zinc/81/46/75/949814675.db2.gz QCPOMCKBKSAVBO-BPCQOVAHSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C1CCC(O)CC1 ZINC001573823031 949814687 /nfs/dbraw/zinc/81/46/87/949814687.db2.gz QCPOMCKBKSAVBO-BPCQOVAHSA-N -1 1 388.476 1.151 20 0 GDADMM CC1(C(=O)N[C@@H]2CCC[C@H]2CNc2cncc(-c3nnn[n-]3)n2)CCOCC1 ZINC001575561837 949815682 /nfs/dbraw/zinc/81/56/82/949815682.db2.gz DEWOAQSGMJCKGZ-QWHCGFSZSA-N -1 1 386.460 1.170 20 0 GDADMM CC1(C(=O)N[C@@H]2CCC[C@H]2CNc2cncc(-c3nn[n-]n3)n2)CCOCC1 ZINC001575561837 949815695 /nfs/dbraw/zinc/81/56/95/949815695.db2.gz DEWOAQSGMJCKGZ-QWHCGFSZSA-N -1 1 386.460 1.170 20 0 GDADMM CC1(C(=O)NC2CCC(Nc3ccnc(-c4nn[n-]n4)n3)CC2)CC(F)(F)C1 ZINC001575561786 949816376 /nfs/dbraw/zinc/81/63/76/949816376.db2.gz CKUXTMBTUPQMBN-UHFFFAOYSA-N -1 1 392.414 1.353 20 0 GDADMM C[C@H]1CCCN(C(=O)CCCF)[C@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576172895 949825012 /nfs/dbraw/zinc/82/50/12/949825012.db2.gz ZANGTWZNHJJQCE-JSGCOSHPSA-N -1 1 376.440 1.836 20 0 GDADMM C[C@H]1CCCN(C(=O)CCCF)[C@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576172895 949825034 /nfs/dbraw/zinc/82/50/34/949825034.db2.gz ZANGTWZNHJJQCE-JSGCOSHPSA-N -1 1 376.440 1.836 20 0 GDADMM C[C@@H]1CCCN(C(=O)CCCF)[C@@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576172897 949825396 /nfs/dbraw/zinc/82/53/96/949825396.db2.gz ZANGTWZNHJJQCE-TZMCWYRMSA-N -1 1 376.440 1.836 20 0 GDADMM C[C@@H]1CCCN(C(=O)CCCF)[C@@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576172897 949825416 /nfs/dbraw/zinc/82/54/16/949825416.db2.gz ZANGTWZNHJJQCE-TZMCWYRMSA-N -1 1 376.440 1.836 20 0 GDADMM C[C@H](CNC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1)NC(=O)OC(C)(C)C ZINC001574965999 949828594 /nfs/dbraw/zinc/82/85/94/949828594.db2.gz RHKJLSNMEGRPSC-SNVBAGLBSA-N -1 1 385.428 1.991 20 0 GDADMM C[C@H](CN(C)C(=O)CCCc1ccccc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574722279 949833635 /nfs/dbraw/zinc/83/36/35/949833635.db2.gz ROVKJSPGQJQHFL-CQSZACIVSA-N -1 1 380.456 1.360 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1 ZINC001574140606 949835213 /nfs/dbraw/zinc/83/52/13/949835213.db2.gz OPBYWNNZAMKYRE-YJNKXOJESA-N -1 1 384.488 1.955 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)C1CC1 ZINC001574483776 949844085 /nfs/dbraw/zinc/84/40/85/949844085.db2.gz LWGOIVZJOJCNCC-VHDGCEQUSA-N -1 1 382.472 1.520 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)C1CC1 ZINC001574483776 949844100 /nfs/dbraw/zinc/84/41/00/949844100.db2.gz LWGOIVZJOJCNCC-VHDGCEQUSA-N -1 1 382.472 1.520 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001574484156 949865125 /nfs/dbraw/zinc/86/51/25/949865125.db2.gz CZJLPQHTGGJWQD-WQVCFCJDSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001574484156 949865157 /nfs/dbraw/zinc/86/51/57/949865157.db2.gz CZJLPQHTGGJWQD-WQVCFCJDSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccns2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576178008 949870664 /nfs/dbraw/zinc/87/06/64/949870664.db2.gz AMHTWSFGLUQWFA-PWSUYJOCSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccns2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576178008 949870689 /nfs/dbraw/zinc/87/06/89/949870689.db2.gz AMHTWSFGLUQWFA-PWSUYJOCSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H](NC(=O)COC(C)(C)C)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575283549 949874234 /nfs/dbraw/zinc/87/42/34/949874234.db2.gz POPARYWYWMLQNM-CHWSQXEVSA-N -1 1 388.476 1.193 20 0 GDADMM C[C@@H](NC(=O)COC(C)(C)C)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575283549 949874254 /nfs/dbraw/zinc/87/42/54/949874254.db2.gz POPARYWYWMLQNM-CHWSQXEVSA-N -1 1 388.476 1.193 20 0 GDADMM CC(C)(C)C1CC(C(=O)NC[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001573825413 949879275 /nfs/dbraw/zinc/87/92/75/949879275.db2.gz UWSRSXQTNRASNX-HSBZDZAISA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)(C)C1CC(C(=O)NC[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001573825413 949879300 /nfs/dbraw/zinc/87/93/00/949879300.db2.gz UWSRSXQTNRASNX-HSBZDZAISA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574144314 949912796 /nfs/dbraw/zinc/91/27/96/949912796.db2.gz NTAFQOSGVRTBKU-MELADBBJSA-N -1 1 388.476 1.557 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574144314 949912815 /nfs/dbraw/zinc/91/28/15/949912815.db2.gz NTAFQOSGVRTBKU-MELADBBJSA-N -1 1 388.476 1.557 20 0 GDADMM CC(C)(C)CC(=O)N1CC[C@@]2(C1)CCCN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001573829975 949967149 /nfs/dbraw/zinc/96/71/49/949967149.db2.gz GFOCQPFJXXVBNE-IBGZPJMESA-N -1 1 384.488 1.912 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccncc2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576180960 949982179 /nfs/dbraw/zinc/98/21/79/949982179.db2.gz KKRDUPSEPJLCNF-IUODEOHRSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccncc2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576180960 949982195 /nfs/dbraw/zinc/98/21/95/949982195.db2.gz KKRDUPSEPJLCNF-IUODEOHRSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@H]1CCN(C(=O)Cc2ccccc2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576181013 949984643 /nfs/dbraw/zinc/98/46/43/949984643.db2.gz GQNBVCUCXLYQOX-HOCLYGCPSA-N -1 1 392.467 1.796 20 0 GDADMM C[C@H]1CCN(C(=O)Cc2ccccc2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576181013 949984670 /nfs/dbraw/zinc/98/46/70/949984670.db2.gz GQNBVCUCXLYQOX-HOCLYGCPSA-N -1 1 392.467 1.796 20 0 GDADMM C[C@H]1CCN(C(=O)C2(C(F)F)CC2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576181078 949991496 /nfs/dbraw/zinc/99/14/96/949991496.db2.gz SAPHJJSBPKJYRA-QWRGUYRKSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H]1CCN(C(=O)C2(C(F)F)CC2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576181078 949991513 /nfs/dbraw/zinc/99/15/13/949991513.db2.gz SAPHJJSBPKJYRA-QWRGUYRKSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1)C(F)(F)F ZINC001574490467 949995329 /nfs/dbraw/zinc/99/53/29/949995329.db2.gz SHQLLYOFWDKDTO-GUBZILKMSA-N -1 1 382.350 1.035 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1)C(F)(F)F ZINC001574490467 949995348 /nfs/dbraw/zinc/99/53/48/949995348.db2.gz SHQLLYOFWDKDTO-GUBZILKMSA-N -1 1 382.350 1.035 20 0 GDADMM CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001573833669 950008747 /nfs/dbraw/zinc/00/87/47/950008747.db2.gz BJEUPAMZVHIAIH-NSHDSACASA-N -1 1 394.526 1.882 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1)CC(C)(C)C ZINC001574490672 950012926 /nfs/dbraw/zinc/01/29/26/950012926.db2.gz XDKVARFTANBHET-RDBSUJKOSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1)CC(C)(C)C ZINC001574490672 950012947 /nfs/dbraw/zinc/01/29/47/950012947.db2.gz XDKVARFTANBHET-RDBSUJKOSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccc[nH]2)[C@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576181610 950013998 /nfs/dbraw/zinc/01/39/98/950013998.db2.gz MEKRPYYXRODJPO-DOMZBBRYSA-N -1 1 381.444 1.728 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccc[nH]2)[C@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576181610 950014017 /nfs/dbraw/zinc/01/40/17/950014017.db2.gz MEKRPYYXRODJPO-DOMZBBRYSA-N -1 1 381.444 1.728 20 0 GDADMM CC(C)(C)CC(=O)N[C@@H]1CC[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001573835121 950030967 /nfs/dbraw/zinc/03/09/67/950030967.db2.gz OWZPOKNEMCUEAH-MGPQQGTHSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)CC(=O)N[C@@H]1CC[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001573835121 950030992 /nfs/dbraw/zinc/03/09/92/950030992.db2.gz OWZPOKNEMCUEAH-MGPQQGTHSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](CC(=O)NC1CC2(C1)CC(Nc1ccc(-c3nnn[n-]3)nn1)C2)C1CC1 ZINC001574491434 950036555 /nfs/dbraw/zinc/03/65/55/950036555.db2.gz CWAWQHVGSZYZQT-KDBGQGEDSA-N -1 1 382.472 1.932 20 0 GDADMM C[C@H](CC(=O)NC1CC2(C1)CC(Nc1ccc(-c3nn[n-]n3)nn1)C2)C1CC1 ZINC001574491434 950036576 /nfs/dbraw/zinc/03/65/76/950036576.db2.gz CWAWQHVGSZYZQT-KDBGQGEDSA-N -1 1 382.472 1.932 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ncc[nH]1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574731297 950047057 /nfs/dbraw/zinc/04/70/57/950047057.db2.gz CNHRFKDZKDYCGJ-ZETCQYMHSA-N -1 1 381.853 1.201 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ncc[nH]1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574731297 950047077 /nfs/dbraw/zinc/04/70/77/950047077.db2.gz CNHRFKDZKDYCGJ-ZETCQYMHSA-N -1 1 381.853 1.201 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2ccc(Cl)o2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575892119 950054331 /nfs/dbraw/zinc/05/43/31/950054331.db2.gz RQQUXCFDSZOTRD-VHSXEESVSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2ccc(Cl)o2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575892119 950054354 /nfs/dbraw/zinc/05/43/54/950054354.db2.gz RQQUXCFDSZOTRD-VHSXEESVSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ccc2c(c1)CCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001574731502 950055056 /nfs/dbraw/zinc/05/50/56/950055056.db2.gz VTFWRKTWQHIPNR-CYBMUJFWSA-N -1 1 392.467 1.647 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ccc2c(c1)CCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001574731502 950055079 /nfs/dbraw/zinc/05/50/79/950055079.db2.gz VTFWRKTWQHIPNR-CYBMUJFWSA-N -1 1 392.467 1.647 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574492141 950061970 /nfs/dbraw/zinc/06/19/70/950061970.db2.gz JQVLPSPYEBSRGT-OLZOCXBDSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](C(=O)[O-])[NH+]1CCC(c2nnc(CNC(=O)OCc3ccccc3)[n-]2)CC1 ZINC001602822090 971632284 /nfs/dbraw/zinc/63/22/84/971632284.db2.gz ZOZSDVFQGUJQIK-CYBMUJFWSA-N -1 1 387.440 1.884 20 0 GDADMM C[C@@H](CC(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C(F)(F)F ZINC001574492447 950084109 /nfs/dbraw/zinc/08/41/09/950084109.db2.gz MVHXRYPRFXYXCG-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](CC(=O)NC1CC(CNc2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001574492472 950088975 /nfs/dbraw/zinc/08/89/75/950088975.db2.gz NECIZISTCADIBH-IDKOKCKLSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](CC(=O)NC1CC(CNc2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574492472 950088998 /nfs/dbraw/zinc/08/89/98/950088998.db2.gz NECIZISTCADIBH-IDKOKCKLSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cocn2)[C@@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001576183720 950101490 /nfs/dbraw/zinc/10/14/90/950101490.db2.gz TUQQXVWXWLKEOL-DGCLKSJQSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cocn2)[C@@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001576183720 950101504 /nfs/dbraw/zinc/10/15/04/950101504.db2.gz TUQQXVWXWLKEOL-DGCLKSJQSA-N -1 1 383.416 1.388 20 0 GDADMM CC1(C(=O)NC[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)CCCCC1 ZINC001575582178 950104968 /nfs/dbraw/zinc/10/49/68/950104968.db2.gz APJVHTWPEIJZHV-AWEZNQCLSA-N -1 1 384.488 1.960 20 0 GDADMM CC1(C(=O)NC[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)CCCCC1 ZINC001575582178 950104983 /nfs/dbraw/zinc/10/49/83/950104983.db2.gz APJVHTWPEIJZHV-AWEZNQCLSA-N -1 1 384.488 1.960 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](C)N(C)c1cncc(-c2nnn[n-]2)n1)c1ccncc1 ZINC001574492898 950109728 /nfs/dbraw/zinc/10/97/28/950109728.db2.gz DNXHTNHWFFPGOG-STQMWFEESA-N -1 1 381.444 1.186 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](C)N(C)c1cncc(-c2nn[n-]n2)n1)c1ccncc1 ZINC001574492898 950109741 /nfs/dbraw/zinc/10/97/41/950109741.db2.gz DNXHTNHWFFPGOG-STQMWFEESA-N -1 1 381.444 1.186 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccn(C)c2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576184343 950124160 /nfs/dbraw/zinc/12/41/60/950124160.db2.gz WCYZDICVZQEMAK-JSGCOSHPSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccn(C)c2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576184343 950124165 /nfs/dbraw/zinc/12/41/65/950124165.db2.gz WCYZDICVZQEMAK-JSGCOSHPSA-N -1 1 381.444 1.348 20 0 GDADMM CC(C)(C)CC(C)(C)C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573839340 950128663 /nfs/dbraw/zinc/12/86/63/950128663.db2.gz RLQNQFZHEYIGFT-LLVKDONJSA-N -1 1 376.465 1.008 20 0 GDADMM CC(C)(C)CC(C)(C)C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573839340 950128687 /nfs/dbraw/zinc/12/86/87/950128687.db2.gz RLQNQFZHEYIGFT-LLVKDONJSA-N -1 1 376.465 1.008 20 0 GDADMM CC(C)(C)CC(C)(C)C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573839341 950128747 /nfs/dbraw/zinc/12/87/47/950128747.db2.gz RLQNQFZHEYIGFT-NSHDSACASA-N -1 1 376.465 1.008 20 0 GDADMM CC(C)(C)CC(C)(C)C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573839341 950128758 /nfs/dbraw/zinc/12/87/58/950128758.db2.gz RLQNQFZHEYIGFT-NSHDSACASA-N -1 1 376.465 1.008 20 0 GDADMM C[C@H]1CCN(C(=O)C2(F)CCCC2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576184644 950135865 /nfs/dbraw/zinc/13/58/65/950135865.db2.gz WPDIRLZWAJUUPY-QWHCGFSZSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@H]1CCN(C(=O)C2(F)CCCC2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576184644 950135882 /nfs/dbraw/zinc/13/58/82/950135882.db2.gz WPDIRLZWAJUUPY-QWHCGFSZSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@@H](CC(=O)NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)c1ccccc1 ZINC001574493919 950144558 /nfs/dbraw/zinc/14/45/58/950144558.db2.gz VHQGPSIJDXDWCV-AWEZNQCLSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@@H](CC(=O)NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)c1ccccc1 ZINC001574493919 950144574 /nfs/dbraw/zinc/14/45/74/950144574.db2.gz VHQGPSIJDXDWCV-AWEZNQCLSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@@H]1CCN(C(=O)CC(C)(F)F)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576184895 950147800 /nfs/dbraw/zinc/14/78/00/950147800.db2.gz XTRPWJRBFGPNHB-MNOVXSKESA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H]1CCN(C(=O)CC(C)(F)F)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576184895 950147813 /nfs/dbraw/zinc/14/78/13/950147813.db2.gz XTRPWJRBFGPNHB-MNOVXSKESA-N -1 1 380.403 1.599 20 0 GDADMM CC(C)(C)CC[C@H](NC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1)C(N)=O ZINC001573843046 950164365 /nfs/dbraw/zinc/16/43/65/950164365.db2.gz POPGBCWAOJXIBJ-LURJTMIESA-N -1 1 386.869 1.778 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cc[nH]c(=O)c1 ZINC001574154382 950169719 /nfs/dbraw/zinc/16/97/19/950169719.db2.gz DSBINXCXMNNHBV-GFCCVEGCSA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cc[nH]c(=O)c1 ZINC001574154382 950169730 /nfs/dbraw/zinc/16/97/30/950169730.db2.gz DSBINXCXMNNHBV-GFCCVEGCSA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)[C@@H](CNC(=O)C[C@@H](C)c1ccco1)Nc1nccnc1-c1nnn[n-]1 ZINC001574494753 950185596 /nfs/dbraw/zinc/18/55/96/950185596.db2.gz NSMWXFUNEQIUFU-CHWSQXEVSA-N -1 1 384.444 1.996 20 0 GDADMM CC(C)[C@@H](CNC(=O)C[C@@H](C)c1ccco1)Nc1nccnc1-c1nn[n-]n1 ZINC001574494753 950185605 /nfs/dbraw/zinc/18/56/05/950185605.db2.gz NSMWXFUNEQIUFU-CHWSQXEVSA-N -1 1 384.444 1.996 20 0 GDADMM C[C@H]1CCN(C(=O)c2cccn2C)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576191148 950188858 /nfs/dbraw/zinc/18/88/58/950188858.db2.gz GLRJEAJTCQIALV-QWHCGFSZSA-N -1 1 381.444 1.206 20 0 GDADMM C[C@H]1CCN(C(=O)c2cccn2C)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576191148 950188865 /nfs/dbraw/zinc/18/88/65/950188865.db2.gz GLRJEAJTCQIALV-QWHCGFSZSA-N -1 1 381.444 1.206 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1ccncc1F ZINC001574155448 950191020 /nfs/dbraw/zinc/19/10/20/950191020.db2.gz LLODMNSXEYXSGN-LLVKDONJSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ccncc1F ZINC001574155448 950191034 /nfs/dbraw/zinc/19/10/34/950191034.db2.gz LLODMNSXEYXSGN-LLVKDONJSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H]1CCC1(F)F ZINC001574155641 950201286 /nfs/dbraw/zinc/20/12/86/950201286.db2.gz PKAZBRRRQHWHPT-MNOVXSKESA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H]1CCC1(F)F ZINC001574155641 950201310 /nfs/dbraw/zinc/20/13/10/950201310.db2.gz PKAZBRRRQHWHPT-MNOVXSKESA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CC12CCCC2 ZINC001574156010 950217938 /nfs/dbraw/zinc/21/79/38/950217938.db2.gz UHZNQDLCVNDHHC-UONOGXRCSA-N -1 1 384.488 1.602 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccns2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576192297 950237439 /nfs/dbraw/zinc/23/74/39/950237439.db2.gz LUDYECSTABHRHE-MNOVXSKESA-N -1 1 385.457 1.324 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccns2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576192297 950237464 /nfs/dbraw/zinc/23/74/64/950237464.db2.gz LUDYECSTABHRHE-MNOVXSKESA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H](CC(=O)NC[C@@]1(C)CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1CC1 ZINC001574498053 950256161 /nfs/dbraw/zinc/25/61/61/950256161.db2.gz JDFHECQMQMHICW-BFUOFWGJSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](CC(=O)NC[C@@]1(C)CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1CC1 ZINC001574498053 950256174 /nfs/dbraw/zinc/25/61/74/950256174.db2.gz JDFHECQMQMHICW-BFUOFWGJSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573847069 950260177 /nfs/dbraw/zinc/26/01/77/950260177.db2.gz ZDGMGNRYZZBRII-BFHYXJOUSA-N -1 1 384.488 1.554 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCC1)c1ccco1 ZINC001574498503 950279103 /nfs/dbraw/zinc/27/91/03/950279103.db2.gz OJPUGFTXNCPKBI-GFCCVEGCSA-N -1 1 382.428 1.894 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCC1)c1ccco1 ZINC001574498503 950279123 /nfs/dbraw/zinc/27/91/23/950279123.db2.gz OJPUGFTXNCPKBI-GFCCVEGCSA-N -1 1 382.428 1.894 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1C[C@@H]1C(F)F ZINC001574158464 950283342 /nfs/dbraw/zinc/28/33/42/950283342.db2.gz AYZNQCHAUSZFEI-DCAQKATOSA-N -1 1 380.403 1.501 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1C[C@@H]1C(F)F ZINC001574158464 950283362 /nfs/dbraw/zinc/28/33/62/950283362.db2.gz AYZNQCHAUSZFEI-DCAQKATOSA-N -1 1 380.403 1.501 20 0 GDADMM C[C@@H](CN(C)C(=O)c1c[nH]nc1C(C)(C)C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574742708 950302281 /nfs/dbraw/zinc/30/22/81/950302281.db2.gz OMTIDMVDLMJMLO-JTQLQIEISA-N -1 1 384.448 1.250 20 0 GDADMM C[C@@H](CN(C)C(=O)c1c[nH]nc1C(C)(C)C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574742708 950302300 /nfs/dbraw/zinc/30/23/00/950302300.db2.gz OMTIDMVDLMJMLO-JTQLQIEISA-N -1 1 384.448 1.250 20 0 GDADMM CC1(C(=O)NC[C@H]2Cc3ccccc3CN2c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575593334 950313939 /nfs/dbraw/zinc/31/39/39/950313939.db2.gz FPISMDFYDARPAI-OAHLLOKOSA-N -1 1 390.451 1.504 20 0 GDADMM CC1(C(=O)NC[C@H]2Cc3ccccc3CN2c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575593334 950313958 /nfs/dbraw/zinc/31/39/58/950313958.db2.gz FPISMDFYDARPAI-OAHLLOKOSA-N -1 1 390.451 1.504 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cc1ccsc1 ZINC001574160338 950336862 /nfs/dbraw/zinc/33/68/62/950336862.db2.gz NLZQEQMPYBFXFN-CYBMUJFWSA-N -1 1 386.485 1.904 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cc1ccsc1 ZINC001574160338 950336885 /nfs/dbraw/zinc/33/68/85/950336885.db2.gz NLZQEQMPYBFXFN-CYBMUJFWSA-N -1 1 386.485 1.904 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@]2(C[C@@H]2C(=O)Nc2n[nH]cc2-c2nnn[n-]2)C1 ZINC001573854296 950342112 /nfs/dbraw/zinc/34/21/12/950342112.db2.gz ZLRMCYDKKWJCAC-DIFFPNOSSA-N -1 1 388.432 1.566 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@]2(C[C@@H]2C(=O)Nc2n[nH]cc2-c2nn[n-]n2)C1 ZINC001573854296 950342131 /nfs/dbraw/zinc/34/21/31/950342131.db2.gz ZLRMCYDKKWJCAC-DIFFPNOSSA-N -1 1 388.432 1.566 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccncc1F ZINC001574160951 950352952 /nfs/dbraw/zinc/35/29/52/950352952.db2.gz RREQDRLWWBPLKS-NSHDSACASA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccncc1F ZINC001574160951 950352973 /nfs/dbraw/zinc/35/29/73/950352973.db2.gz RREQDRLWWBPLKS-NSHDSACASA-N -1 1 385.407 1.447 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCCCCN1c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001574502244 950368786 /nfs/dbraw/zinc/36/87/86/950368786.db2.gz KXQZGQSFTZKOFH-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCCCCN1c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001574502244 950368808 /nfs/dbraw/zinc/36/88/08/950368808.db2.gz KXQZGQSFTZKOFH-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CC1(C(=O)N(C)[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CCC1 ZINC001574162485 950382843 /nfs/dbraw/zinc/38/28/43/950382843.db2.gz BMZIQKPQDQLGEB-AWEZNQCLSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CC1(C(=O)N(C)[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CCC1 ZINC001574162485 950382857 /nfs/dbraw/zinc/38/28/57/950382857.db2.gz BMZIQKPQDQLGEB-AWEZNQCLSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CC1(C(=O)N(C)[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CCC1 ZINC001574162486 950384750 /nfs/dbraw/zinc/38/47/50/950384750.db2.gz BMZIQKPQDQLGEB-CQSZACIVSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CC1(C(=O)N(C)[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CCC1 ZINC001574162486 950384773 /nfs/dbraw/zinc/38/47/73/950384773.db2.gz BMZIQKPQDQLGEB-CQSZACIVSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@@](C)(O)C1CC1 ZINC001574162617 950388801 /nfs/dbraw/zinc/38/88/01/950388801.db2.gz FLQCMVUNSNUXQM-SCLBCKFNSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@@](C)(O)C1CC1 ZINC001574162617 950388819 /nfs/dbraw/zinc/38/88/19/950388819.db2.gz FLQCMVUNSNUXQM-SCLBCKFNSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001573856745 950394333 /nfs/dbraw/zinc/39/43/33/950394333.db2.gz HIMCZYSEULWMCE-SGTLLEGYSA-N -1 1 388.428 1.979 20 0 GDADMM CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001573856745 950394355 /nfs/dbraw/zinc/39/43/55/950394355.db2.gz HIMCZYSEULWMCE-SGTLLEGYSA-N -1 1 388.428 1.979 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H](C)C(F)(F)F ZINC001574162707 950398458 /nfs/dbraw/zinc/39/84/58/950398458.db2.gz HIMRWXNRWHFGGX-ZJUUUORDSA-N -1 1 386.382 1.798 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H](C)C(F)(F)F ZINC001574162707 950398480 /nfs/dbraw/zinc/39/84/80/950398480.db2.gz HIMRWXNRWHFGGX-ZJUUUORDSA-N -1 1 386.382 1.798 20 0 GDADMM CC1(C(=O)NC[C@H]2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CC(F)(F)C1 ZINC001575597032 950399865 /nfs/dbraw/zinc/39/98/65/950399865.db2.gz LHRMPXHHGJORPV-WDEREUQCSA-N -1 1 392.414 1.789 20 0 GDADMM CC1(C(=O)NC[C@H]2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CC(F)(F)C1 ZINC001575597032 950399878 /nfs/dbraw/zinc/39/98/78/950399878.db2.gz LHRMPXHHGJORPV-WDEREUQCSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)n1cccc1 ZINC001574503079 950401873 /nfs/dbraw/zinc/40/18/73/950401873.db2.gz SZFDGHDIMGVLDF-UONOGXRCSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)n1cccc1 ZINC001574503079 950401881 /nfs/dbraw/zinc/40/18/81/950401881.db2.gz SZFDGHDIMGVLDF-UONOGXRCSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574503113 950403208 /nfs/dbraw/zinc/40/32/08/950403208.db2.gz UASPVRUIVONZPO-GJZGRUSLSA-N -1 1 392.467 1.793 20 0 GDADMM CC(C)CC1(C(=O)N(C)[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CCC1 ZINC001574162846 950403865 /nfs/dbraw/zinc/40/38/65/950403865.db2.gz KCEZLNYCIAWIDO-AWEZNQCLSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CC1(C(=O)N(C)[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CCC1 ZINC001574162846 950403874 /nfs/dbraw/zinc/40/38/74/950403874.db2.gz KCEZLNYCIAWIDO-AWEZNQCLSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C1(F)CCCC1 ZINC001574162892 950410085 /nfs/dbraw/zinc/41/00/85/950410085.db2.gz LKNCRDPQJCGSSH-GFCCVEGCSA-N -1 1 376.440 1.882 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C1(F)CCCC1 ZINC001574162892 950410103 /nfs/dbraw/zinc/41/01/03/950410103.db2.gz LKNCRDPQJCGSSH-GFCCVEGCSA-N -1 1 376.440 1.882 20 0 GDADMM CC(C)CC1(C(=O)N2CCC(Nc3ccnc(-c4nn[n-]n4)n3)CC2)CCC1 ZINC001574163011 950413649 /nfs/dbraw/zinc/41/36/49/950413649.db2.gz PJTJMXCARKMBJV-UHFFFAOYSA-N -1 1 384.488 1.698 20 0 GDADMM CC1(C(=O)NCc2ccc3c(c2)CN(c2ccc(-c4nnn[n-]4)nn2)C3)CCC1 ZINC001575599253 950428858 /nfs/dbraw/zinc/42/88/58/950428858.db2.gz IOEFMXSMBPXAGS-UHFFFAOYSA-N -1 1 390.451 1.983 20 0 GDADMM CC1(C(=O)NCc2ccc3c(c2)CN(c2ccc(-c4nn[n-]n4)nn2)C3)CCC1 ZINC001575599253 950428870 /nfs/dbraw/zinc/42/88/70/950428870.db2.gz IOEFMXSMBPXAGS-UHFFFAOYSA-N -1 1 390.451 1.983 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc(F)cc(Cl)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574750574 950430524 /nfs/dbraw/zinc/43/05/24/950430524.db2.gz DAGRYFOBRMNPRN-VIFPVBQESA-N -1 1 390.810 1.444 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccc(F)cn1 ZINC001574163805 950436523 /nfs/dbraw/zinc/43/65/23/950436523.db2.gz YOAPGAPKEOKTEI-LBPRGKRZSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccc(F)cn1 ZINC001574163805 950436543 /nfs/dbraw/zinc/43/65/43/950436543.db2.gz YOAPGAPKEOKTEI-LBPRGKRZSA-N -1 1 385.407 1.447 20 0 GDADMM C[C@@H](CC(=O)N[C@@H](C)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C1CC1 ZINC001574506475 950438695 /nfs/dbraw/zinc/43/86/95/950438695.db2.gz FHLCCWUUSQKESN-STQMWFEESA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](CC(=O)N[C@@H](C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001574506475 950438708 /nfs/dbraw/zinc/43/87/08/950438708.db2.gz FHLCCWUUSQKESN-STQMWFEESA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](CC(=O)N[C@@H](C)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001574506777 950441693 /nfs/dbraw/zinc/44/16/93/950441693.db2.gz FMDRIPHFXMRDGY-STQMWFEESA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C(=O)N[C@H]2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)CC2)CCOCC1 ZINC001575605213 950452568 /nfs/dbraw/zinc/45/25/68/950452568.db2.gz ARAQFJKDUGZEQF-JOCQHMNTSA-N -1 1 386.460 1.313 20 0 GDADMM CC1(C(=O)N[C@H]2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)CC2)CCOCC1 ZINC001575605213 950452575 /nfs/dbraw/zinc/45/25/75/950452575.db2.gz ARAQFJKDUGZEQF-JOCQHMNTSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](CC(=O)NCCN(c1cnc(-c2nnn[n-]2)cn1)C1CC1)c1ccccc1 ZINC001574507210 950454892 /nfs/dbraw/zinc/45/48/92/950454892.db2.gz FYXIUCORNSIZAP-AWEZNQCLSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@@H](CC(=O)NCCN(c1cnc(-c2nn[n-]n2)cn1)C1CC1)c1ccccc1 ZINC001574507210 950454909 /nfs/dbraw/zinc/45/49/09/950454909.db2.gz FYXIUCORNSIZAP-AWEZNQCLSA-N -1 1 392.467 1.936 20 0 GDADMM CC(C)CC1(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)CCC1 ZINC001574165866 950456097 /nfs/dbraw/zinc/45/60/97/950456097.db2.gz KWRMAFKPIXYHEY-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CC1(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)CCC1 ZINC001574165866 950456108 /nfs/dbraw/zinc/45/61/08/950456108.db2.gz KWRMAFKPIXYHEY-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CC1(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CCCC1 ZINC001574166555 950469062 /nfs/dbraw/zinc/46/90/62/950469062.db2.gz SNEBGIQTMGKSHF-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CC1(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CCCC1 ZINC001574166555 950469078 /nfs/dbraw/zinc/46/90/78/950469078.db2.gz SNEBGIQTMGKSHF-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1ccncc1 ZINC001575913153 950476110 /nfs/dbraw/zinc/47/61/10/950476110.db2.gz IVNBLLCKHYNDDZ-TZMCWYRMSA-N -1 1 379.428 1.086 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCc1ccncc1 ZINC001575913153 950476123 /nfs/dbraw/zinc/47/61/23/950476123.db2.gz IVNBLLCKHYNDDZ-TZMCWYRMSA-N -1 1 379.428 1.086 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc(C(F)F)o1)Nc1nccnc1-c1nnn[n-]1 ZINC001574752326 950478789 /nfs/dbraw/zinc/47/87/89/950478789.db2.gz ATSIQKHOBBMTDI-QMMMGPOBSA-N -1 1 378.343 1.760 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc(C(F)F)o1)Nc1nccnc1-c1nn[n-]n1 ZINC001574752326 950478801 /nfs/dbraw/zinc/47/88/01/950478801.db2.gz ATSIQKHOBBMTDI-QMMMGPOBSA-N -1 1 378.343 1.760 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)C1CCC(F)(F)CC1 ZINC001575913269 950481348 /nfs/dbraw/zinc/48/13/48/950481348.db2.gz JEDBNVVCTAOGIX-ZYHUDNBSSA-N -1 1 392.414 1.884 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)C1CCC(F)(F)CC1 ZINC001575913269 950481361 /nfs/dbraw/zinc/48/13/61/950481361.db2.gz JEDBNVVCTAOGIX-ZYHUDNBSSA-N -1 1 392.414 1.884 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)[C@H]1CCCO1 ZINC001574508489 950484214 /nfs/dbraw/zinc/48/42/14/950484214.db2.gz PBNHXAYOUJOWIG-GUIRCDHDSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)[C@H]1CCCO1 ZINC001574508489 950484220 /nfs/dbraw/zinc/48/42/20/950484220.db2.gz PBNHXAYOUJOWIG-GUIRCDHDSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc2c(c1)CCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574752924 950501896 /nfs/dbraw/zinc/50/18/96/950501896.db2.gz GEVVFXXUVPQJPJ-LBPRGKRZSA-N -1 1 378.440 1.718 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc2c(c1)CCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574752924 950501913 /nfs/dbraw/zinc/50/19/13/950501913.db2.gz GEVVFXXUVPQJPJ-LBPRGKRZSA-N -1 1 378.440 1.718 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc(C(F)F)o1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574753148 950510630 /nfs/dbraw/zinc/51/06/30/950510630.db2.gz ITYNYVTXWXTQAL-MRVPVSSYSA-N -1 1 378.343 1.760 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc(C(F)F)o1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574753148 950510647 /nfs/dbraw/zinc/51/06/47/950510647.db2.gz ITYNYVTXWXTQAL-MRVPVSSYSA-N -1 1 378.343 1.760 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc2c(c1)CCC=C2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574753000 950510974 /nfs/dbraw/zinc/51/09/74/950510974.db2.gz IFWDWEGTFQVJDX-ZDUSSCGKSA-N -1 1 390.451 1.611 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1cccs1 ZINC001575915804 950521251 /nfs/dbraw/zinc/52/12/51/950521251.db2.gz ORZHDJPPAACUKU-WCQYABFASA-N -1 1 384.469 1.752 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCc1cccs1 ZINC001575915804 950521269 /nfs/dbraw/zinc/52/12/69/950521269.db2.gz ORZHDJPPAACUKU-WCQYABFASA-N -1 1 384.469 1.752 20 0 GDADMM CC(C)CCC(=O)N1CCC2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001574170016 950528721 /nfs/dbraw/zinc/52/87/21/950528721.db2.gz CYFYGOOJUDIANQ-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)CCC(=O)N1CCC2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001574170016 950528742 /nfs/dbraw/zinc/52/87/42/950528742.db2.gz CYFYGOOJUDIANQ-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001574509853 950534627 /nfs/dbraw/zinc/53/46/27/950534627.db2.gz ZKZRDFLOMDIMNY-IHRRRGAJSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001574509853 950534645 /nfs/dbraw/zinc/53/46/45/950534645.db2.gz ZKZRDFLOMDIMNY-IHRRRGAJSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](CC(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1)c1ccccc1F ZINC001574509984 950537413 /nfs/dbraw/zinc/53/74/13/950537413.db2.gz XRROCQAKNPZKCK-LBPRGKRZSA-N -1 1 384.419 1.542 20 0 GDADMM C[C@@H](CC(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1)c1ccccc1F ZINC001574509984 950537435 /nfs/dbraw/zinc/53/74/35/950537435.db2.gz XRROCQAKNPZKCK-LBPRGKRZSA-N -1 1 384.419 1.542 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001574511557 950559675 /nfs/dbraw/zinc/55/96/75/950559675.db2.gz LWRPJIJMZBODJR-NXEZZACHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001574511557 950559689 /nfs/dbraw/zinc/55/96/89/950559689.db2.gz LWRPJIJMZBODJR-NXEZZACHSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573869589 950570590 /nfs/dbraw/zinc/57/05/90/950570590.db2.gz QXUULIMKKSCGHV-STQMWFEESA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573869589 950570604 /nfs/dbraw/zinc/57/06/04/950570604.db2.gz QXUULIMKKSCGHV-STQMWFEESA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H](CNC(=O)c1cc(C(F)F)ccc1F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574999767 950591236 /nfs/dbraw/zinc/59/12/36/950591236.db2.gz NBQJTQOKKBPCJT-MRVPVSSYSA-N -1 1 392.345 1.964 20 0 GDADMM C[C@H](CNC(=O)c1cc(C(F)F)ccc1F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574999767 950591251 /nfs/dbraw/zinc/59/12/51/950591251.db2.gz NBQJTQOKKBPCJT-MRVPVSSYSA-N -1 1 392.345 1.964 20 0 GDADMM CC1(C)C(C(=O)N2CCC(CNc3nccnc3-c3nnn[n-]3)CC2)C1(C)C ZINC001575618059 950609233 /nfs/dbraw/zinc/60/92/33/950609233.db2.gz GIGJWPAOLMMJMY-UHFFFAOYSA-N -1 1 384.488 1.989 20 0 GDADMM CC1(C)C(C(=O)N2CCC(CNc3nccnc3-c3nn[n-]n3)CC2)C1(C)C ZINC001575618059 950609243 /nfs/dbraw/zinc/60/92/43/950609243.db2.gz GIGJWPAOLMMJMY-UHFFFAOYSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)ccc1Cl)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575000811 950614472 /nfs/dbraw/zinc/61/44/72/950614472.db2.gz FXQNVRHJVKLEOJ-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)ccc1Cl)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575000811 950614483 /nfs/dbraw/zinc/61/44/83/950614483.db2.gz FXQNVRHJVKLEOJ-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cccc2c1CCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574758602 950617440 /nfs/dbraw/zinc/61/74/40/950617440.db2.gz FKXQOYBSOJGTQY-LBPRGKRZSA-N -1 1 378.440 1.718 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cccc2c1CCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574758602 950617460 /nfs/dbraw/zinc/61/74/60/950617460.db2.gz FKXQOYBSOJGTQY-LBPRGKRZSA-N -1 1 378.440 1.718 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001574515153 950624144 /nfs/dbraw/zinc/62/41/44/950624144.db2.gz AONAACBQFHSEQY-GUBZILKMSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001574515153 950624159 /nfs/dbraw/zinc/62/41/59/950624159.db2.gz AONAACBQFHSEQY-GUBZILKMSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cccc(F)c1F ZINC001575922378 950644874 /nfs/dbraw/zinc/64/48/74/950644874.db2.gz PGURPSFFSCWVGQ-JOYOIKCWSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cccc(F)c1F ZINC001575922378 950644891 /nfs/dbraw/zinc/64/48/91/950644891.db2.gz PGURPSFFSCWVGQ-JOYOIKCWSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)cs1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575001935 950646330 /nfs/dbraw/zinc/64/63/30/950646330.db2.gz PQZQBOVEGZFHRM-QMMMGPOBSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)cs1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575001935 950646344 /nfs/dbraw/zinc/64/63/44/950646344.db2.gz PQZQBOVEGZFHRM-QMMMGPOBSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)cc(Cl)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575002357 950657524 /nfs/dbraw/zinc/65/75/24/950657524.db2.gz SYNGWVYKUHJWAQ-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)cc(Cl)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575002357 950657545 /nfs/dbraw/zinc/65/75/45/950657545.db2.gz SYNGWVYKUHJWAQ-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM CC(C)CCC(=O)N[C@@H]1CC[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@@H]2C1 ZINC001574175513 950660343 /nfs/dbraw/zinc/66/03/43/950660343.db2.gz QHOLLZGYOITRQI-QLFBSQMISA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)CCC(=O)N[C@@H]1CC[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@@H]2C1 ZINC001574175513 950660359 /nfs/dbraw/zinc/66/03/59/950660359.db2.gz QHOLLZGYOITRQI-QLFBSQMISA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)ccc1Cl)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575002573 950662727 /nfs/dbraw/zinc/66/27/27/950662727.db2.gz VJTPHERYGUYDJE-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)ccc1Cl)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575002573 950662746 /nfs/dbraw/zinc/66/27/46/950662746.db2.gz VJTPHERYGUYDJE-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CNC(=O)c1cc2c(s1)CCC2)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575002788 950669611 /nfs/dbraw/zinc/66/96/11/950669611.db2.gz WXWXGBTVPJPTCZ-SNVBAGLBSA-N -1 1 384.469 1.107 20 0 GDADMM C[C@@H](CNC(=O)c1cc2ncccc2o1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575005362 950680360 /nfs/dbraw/zinc/68/03/60/950680360.db2.gz BVKOOETVYDQSKY-JTQLQIEISA-N -1 1 379.384 1.053 20 0 GDADMM C[C@@H](CNC(=O)c1cc2ncccc2o1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575005362 950680374 /nfs/dbraw/zinc/68/03/74/950680374.db2.gz BVKOOETVYDQSKY-JTQLQIEISA-N -1 1 379.384 1.053 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573877474 950692608 /nfs/dbraw/zinc/69/26/08/950692608.db2.gz BQDVLBCCGVQWGO-MGPQQGTHSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(-c3nnn[n-]3)o2)[C@H]1C ZINC001576216024 950716914 /nfs/dbraw/zinc/71/69/14/950716914.db2.gz XWFCYVPSBJXDOV-FRRDWIJNSA-N -1 1 384.444 1.838 20 0 GDADMM C[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(-c3nn[n-]n3)o2)[C@H]1C ZINC001576216024 950716925 /nfs/dbraw/zinc/71/69/25/950716925.db2.gz XWFCYVPSBJXDOV-FRRDWIJNSA-N -1 1 384.444 1.838 20 0 GDADMM C[C@H](CN(C)C(=O)c1cncn1C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574763575 950723380 /nfs/dbraw/zinc/72/33/80/950723380.db2.gz FKDAWFXGYRJEQC-SSDOTTSWSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@H](CN(C)C(=O)c1cncn1C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574763575 950723398 /nfs/dbraw/zinc/72/33/98/950723398.db2.gz FKDAWFXGYRJEQC-SSDOTTSWSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1cncs1 ZINC001575927312 950739816 /nfs/dbraw/zinc/73/98/16/950739816.db2.gz OYXGNZFMFUZDTE-PWSUYJOCSA-N -1 1 385.457 1.147 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1cncs1 ZINC001575927312 950739829 /nfs/dbraw/zinc/73/98/29/950739829.db2.gz OYXGNZFMFUZDTE-PWSUYJOCSA-N -1 1 385.457 1.147 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cncnc1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574764151 950741858 /nfs/dbraw/zinc/74/18/58/950741858.db2.gz PYXOKTWYTPBVFA-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cncnc1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574764151 950741867 /nfs/dbraw/zinc/74/18/67/950741867.db2.gz PYXOKTWYTPBVFA-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576216997 950750657 /nfs/dbraw/zinc/75/06/57/950750657.db2.gz FTCYAXFOXWCVTP-MWLCHTKSSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576216997 950750669 /nfs/dbraw/zinc/75/06/69/950750669.db2.gz FTCYAXFOXWCVTP-MWLCHTKSSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@H](CN(C)C(=O)c1csnn1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574765050 950772093 /nfs/dbraw/zinc/77/20/93/950772093.db2.gz CLVRRYNDRLIDBU-RXMQYKEDSA-N -1 1 385.866 1.401 20 0 GDADMM C[C@H](CN(C)C(=O)c1csnn1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574765050 950772102 /nfs/dbraw/zinc/77/21/02/950772102.db2.gz CLVRRYNDRLIDBU-RXMQYKEDSA-N -1 1 385.866 1.401 20 0 GDADMM CC1(C)CC(CC(=O)NCC2CCN(c3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001575632157 950790985 /nfs/dbraw/zinc/79/09/85/950790985.db2.gz CHMLSOAWXCZQDF-UHFFFAOYSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C)CC(CC(=O)NCC2CCN(c3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001575632157 950790996 /nfs/dbraw/zinc/79/09/96/950790996.db2.gz CHMLSOAWXCZQDF-UHFFFAOYSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)c2ccccc2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576218821 950793189 /nfs/dbraw/zinc/79/31/89/950793189.db2.gz MSOIYEPUAXHQRE-CJNGLKHVSA-N -1 1 392.467 1.893 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)c2ccccc2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576218821 950793204 /nfs/dbraw/zinc/79/32/04/950793204.db2.gz MSOIYEPUAXHQRE-CJNGLKHVSA-N -1 1 392.467 1.893 20 0 GDADMM C[C@H]1[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCN1C(=O)c1ccnnc1 ZINC001575931119 950801520 /nfs/dbraw/zinc/80/15/20/950801520.db2.gz GWTQSBMPNVSPOQ-CBAPKCEASA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)Cc1cccc(F)c1 ZINC001575931450 950805531 /nfs/dbraw/zinc/80/55/31/950805531.db2.gz HVPHJYKDQHZUQT-FZMZJTMJSA-N -1 1 382.403 1.440 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)Cc1cccc(F)c1 ZINC001575931450 950805553 /nfs/dbraw/zinc/80/55/53/950805553.db2.gz HVPHJYKDQHZUQT-FZMZJTMJSA-N -1 1 382.403 1.440 20 0 GDADMM CC(C)(C)c1nc[nH]c1C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573885088 950814419 /nfs/dbraw/zinc/81/44/19/950814419.db2.gz OCLWORGPQJLUAH-MGCOHNPYSA-N -1 1 382.432 1.050 20 0 GDADMM CC(C)(C)c1nc[nH]c1C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573885088 950814431 /nfs/dbraw/zinc/81/44/31/950814431.db2.gz OCLWORGPQJLUAH-MGCOHNPYSA-N -1 1 382.432 1.050 20 0 GDADMM C[C@H]1[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)CCN1C(=O)c1ccnnc1 ZINC001575931993 950821390 /nfs/dbraw/zinc/82/13/90/950821390.db2.gz KJELYECTEJZLFQ-CBAPKCEASA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCN1C(=O)c1ccnnc1 ZINC001575931993 950821411 /nfs/dbraw/zinc/82/14/11/950821411.db2.gz KJELYECTEJZLFQ-CBAPKCEASA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cnc(C2CC2)o1 ZINC001575932771 950828731 /nfs/dbraw/zinc/82/87/31/950828731.db2.gz MOTAVITYGAVFEM-GXSJLCMTSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cnc(C2CC2)o1 ZINC001575932771 950828757 /nfs/dbraw/zinc/82/87/57/950828757.db2.gz MOTAVITYGAVFEM-GXSJLCMTSA-N -1 1 381.400 1.237 20 0 GDADMM CC(C)(C)c1nnc2n1CCN(C(=O)NCc1ccc(-c3nn[n-]n3)s1)C2 ZINC001573885808 950831722 /nfs/dbraw/zinc/83/17/22/950831722.db2.gz UVPODBAOFDUTJN-UHFFFAOYSA-N -1 1 387.473 1.543 20 0 GDADMM CC(C)CCCC(=O)N1CC[C@@H]2[C@@H](CCN2c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574188249 950848747 /nfs/dbraw/zinc/84/87/47/950848747.db2.gz VSLONKQXHRGXJH-GOEBONIOSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CCCC(=O)N1CC[C@@H]2[C@@H](CCN2c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574188249 950848767 /nfs/dbraw/zinc/84/87/67/950848767.db2.gz VSLONKQXHRGXJH-GOEBONIOSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)(C)c1ocnc1C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573887661 950849512 /nfs/dbraw/zinc/84/95/12/950849512.db2.gz HUQFICPISJJDTG-UHFFFAOYSA-N -1 1 383.416 1.317 20 0 GDADMM CC(C)(C)c1ocnc1C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573887661 950849538 /nfs/dbraw/zinc/84/95/38/950849538.db2.gz HUQFICPISJJDTG-UHFFFAOYSA-N -1 1 383.416 1.317 20 0 GDADMM CC1(C)C[C@@H](NC(=O)CCCF)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575639389 950862570 /nfs/dbraw/zinc/86/25/70/950862570.db2.gz AKXAISAAIFQDLA-LBPRGKRZSA-N -1 1 376.440 1.518 20 0 GDADMM CC1(C)C[C@@H](NC(=O)CCCF)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575639389 950862590 /nfs/dbraw/zinc/86/25/90/950862590.db2.gz AKXAISAAIFQDLA-LBPRGKRZSA-N -1 1 376.440 1.518 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cccc2c1OCC2 ZINC001575935138 950870839 /nfs/dbraw/zinc/87/08/39/950870839.db2.gz VNSOAXZTLWOWKZ-SMDDNHRTSA-N -1 1 392.423 1.307 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cccc2c1OCC2 ZINC001575935138 950870858 /nfs/dbraw/zinc/87/08/58/950870858.db2.gz VNSOAXZTLWOWKZ-SMDDNHRTSA-N -1 1 392.423 1.307 20 0 GDADMM CC(C)(C)c1ocnc1C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573888677 950876222 /nfs/dbraw/zinc/87/62/22/950876222.db2.gz YPOOMRXJYQCKTN-SNVBAGLBSA-N -1 1 383.416 1.269 20 0 GDADMM CC(C)(C)c1ocnc1C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573888677 950876244 /nfs/dbraw/zinc/87/62/44/950876244.db2.gz YPOOMRXJYQCKTN-SNVBAGLBSA-N -1 1 383.416 1.269 20 0 GDADMM CC(C)(CC(=O)N1CCC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001573893517 950888522 /nfs/dbraw/zinc/88/85/22/950888522.db2.gz JXVFYHMDLWTXME-ZDUSSCGKSA-N -1 1 384.488 1.555 20 0 GDADMM CC(C)CCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001574189604 950892386 /nfs/dbraw/zinc/89/23/86/950892386.db2.gz OMQDSHJCAUOJIE-KKUMJFAQSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1ccccn1 ZINC001575936210 950908751 /nfs/dbraw/zinc/90/87/51/950908751.db2.gz CVCVGZRBXVIGIM-JSGCOSHPSA-N -1 1 379.428 1.086 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1ccccn1 ZINC001575936210 950908764 /nfs/dbraw/zinc/90/87/64/950908764.db2.gz CVCVGZRBXVIGIM-JSGCOSHPSA-N -1 1 379.428 1.086 20 0 GDADMM CC1(C)C[C@H]1C(=O)N1CC[C@@]2(C1)CCCN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001575642039 950932763 /nfs/dbraw/zinc/93/27/63/950932763.db2.gz DMBLWCCCLKHKKX-DJJJIMSYSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)C[C@H]1C(=O)N1CC[C@@]2(C1)CCCN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001575642039 950932772 /nfs/dbraw/zinc/93/27/72/950932772.db2.gz DMBLWCCCLKHKKX-DJJJIMSYSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H]1CN(C(=O)C2(F)CCCC2)CC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576228276 950933133 /nfs/dbraw/zinc/93/31/33/950933133.db2.gz GIWDCJVAMHYYIB-CHWSQXEVSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@@H]1CN(C(=O)C2(F)CCCC2)CC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576228276 950933149 /nfs/dbraw/zinc/93/31/49/950933149.db2.gz GIWDCJVAMHYYIB-CHWSQXEVSA-N -1 1 388.451 1.836 20 0 GDADMM CC1(CC(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)CC(C)(C)C2)CC1 ZINC001575642356 950935767 /nfs/dbraw/zinc/93/57/67/950935767.db2.gz TXQQSBXIERSWNV-CYBMUJFWSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(CC(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)CC(C)(C)C2)CC1 ZINC001575642356 950935787 /nfs/dbraw/zinc/93/57/87/950935787.db2.gz TXQQSBXIERSWNV-CYBMUJFWSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCN1C(=O)Cc1ccc[nH]1 ZINC001575937112 950937657 /nfs/dbraw/zinc/93/76/57/950937657.db2.gz JFCISUKOVPYKNT-SCZZXKLOSA-N -1 1 392.876 1.949 20 0 GDADMM C[C@@H]1[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCN1C(=O)Cc1ccc[nH]1 ZINC001575937112 950937674 /nfs/dbraw/zinc/93/76/74/950937674.db2.gz JFCISUKOVPYKNT-SCZZXKLOSA-N -1 1 392.876 1.949 20 0 GDADMM CC(C)(CC(=O)NC[C@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573895571 950943416 /nfs/dbraw/zinc/94/34/16/950943416.db2.gz DEFBUQQZBYKUAR-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(CC(=O)NC[C@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573895571 950943443 /nfs/dbraw/zinc/94/34/43/950943443.db2.gz DEFBUQQZBYKUAR-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576228554 950944995 /nfs/dbraw/zinc/94/49/95/950944995.db2.gz HPZYHHTVQHSEOV-VHSXEESVSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576228554 950945016 /nfs/dbraw/zinc/94/50/16/950945016.db2.gz HPZYHHTVQHSEOV-VHSXEESVSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)CCOCC2)CC[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576229126 950966278 /nfs/dbraw/zinc/96/62/78/950966278.db2.gz JEXVAERIQIZTJL-STQMWFEESA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)CCOCC2)CC[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576229126 950966300 /nfs/dbraw/zinc/96/63/00/950966300.db2.gz JEXVAERIQIZTJL-STQMWFEESA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)(CC(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)CC(F)F ZINC001573899837 950990617 /nfs/dbraw/zinc/99/06/17/950990617.db2.gz LFLPLNPQGOCLGS-MGCOHNPYSA-N -1 1 380.403 1.787 20 0 GDADMM CC(C)(CC(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)CC(F)F ZINC001573899837 950990633 /nfs/dbraw/zinc/99/06/33/950990633.db2.gz LFLPLNPQGOCLGS-MGCOHNPYSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)F)nc1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575017522 950998953 /nfs/dbraw/zinc/99/89/53/950998953.db2.gz HEYNOZDGKXTFFI-SECBINFHSA-N -1 1 389.370 1.467 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)F)nc1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575017522 950998971 /nfs/dbraw/zinc/99/89/71/950998971.db2.gz HEYNOZDGKXTFFI-SECBINFHSA-N -1 1 389.370 1.467 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)F)o1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575019022 951030932 /nfs/dbraw/zinc/03/09/32/951030932.db2.gz PNVMGFMMJJKFDM-QMMMGPOBSA-N -1 1 378.343 1.442 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)F)o1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575019022 951030950 /nfs/dbraw/zinc/03/09/50/951030950.db2.gz PNVMGFMMJJKFDM-QMMMGPOBSA-N -1 1 378.343 1.442 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)F)nc1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575020124 951049965 /nfs/dbraw/zinc/04/99/65/951049965.db2.gz YUNTWDFNUYZGOH-SECBINFHSA-N -1 1 389.370 1.244 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)c(F)c1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575024206 951094867 /nfs/dbraw/zinc/09/48/67/951094867.db2.gz XWBHSJXSWGVLME-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)C[C@@H](C)O2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575024318 951100440 /nfs/dbraw/zinc/10/04/40/951100440.db2.gz ASMJGEKCQMHGTO-WDEREUQCSA-N -1 1 380.412 1.211 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)C[C@@H](C)O2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575024318 951100453 /nfs/dbraw/zinc/10/04/53/951100453.db2.gz ASMJGEKCQMHGTO-WDEREUQCSA-N -1 1 380.412 1.211 20 0 GDADMM CC(C)Oc1ccc(C(=O)NC[C@H](C)Nc2nccnc2-c2nnn[n-]2)nc1 ZINC001575024778 951115588 /nfs/dbraw/zinc/11/55/88/951115588.db2.gz MOPPBNVCWRVAQE-NSHDSACASA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1ccc(C(=O)NC[C@H](C)Nc2nccnc2-c2nn[n-]n2)nc1 ZINC001575024778 951115595 /nfs/dbraw/zinc/11/55/95/951115595.db2.gz MOPPBNVCWRVAQE-NSHDSACASA-N -1 1 383.416 1.069 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCC=C2)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575024824 951117139 /nfs/dbraw/zinc/11/71/39/951117139.db2.gz NHWUXQNDYKJXOD-ZDUSSCGKSA-N -1 1 390.451 1.871 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCC=C2)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575024824 951117143 /nfs/dbraw/zinc/11/71/43/951117143.db2.gz NHWUXQNDYKJXOD-ZDUSSCGKSA-N -1 1 390.451 1.871 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(C(F)F)c1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575025826 951132256 /nfs/dbraw/zinc/13/22/56/951132256.db2.gz BKSQKHXAGDWAJM-JTQLQIEISA-N -1 1 388.382 1.849 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(C(F)F)c1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575025826 951132261 /nfs/dbraw/zinc/13/22/61/951132261.db2.gz BKSQKHXAGDWAJM-JTQLQIEISA-N -1 1 388.382 1.849 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(F)c1Cl)CNc1nccnc1-c1nnn[n-]1 ZINC001575025917 951135533 /nfs/dbraw/zinc/13/55/33/951135533.db2.gz CSAAYPVOXFIETI-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(F)c1Cl)CNc1nccnc1-c1nn[n-]n1 ZINC001575025917 951135543 /nfs/dbraw/zinc/13/55/43/951135543.db2.gz CSAAYPVOXFIETI-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM CCOC(=O)c1sc(NC(=O)CN[C@H]2C[C@H](O)C23CCC3)c(C(=O)[O-])c1C ZINC001591466559 951146253 /nfs/dbraw/zinc/14/62/53/951146253.db2.gz IMIACSFCEYLFGQ-QWRGUYRKSA-N -1 1 396.465 1.763 20 0 GDADMM C[C@H](CNC(=O)c1cccc(F)c1Cl)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575026883 951148046 /nfs/dbraw/zinc/14/80/46/951148046.db2.gz AOXBNKMOGFIBIU-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1cccc(F)c1Cl)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575026883 951148051 /nfs/dbraw/zinc/14/80/51/951148051.db2.gz AOXBNKMOGFIBIU-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1cccc2c1CCCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001575027630 951162679 /nfs/dbraw/zinc/16/26/79/951162679.db2.gz HHDGLKGAZJAQIV-GFCCVEGCSA-N -1 1 378.440 1.766 20 0 GDADMM C[C@H](CNC(=O)c1cccc2c1CCCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001575027630 951162685 /nfs/dbraw/zinc/16/26/85/951162685.db2.gz HHDGLKGAZJAQIV-GFCCVEGCSA-N -1 1 378.440 1.766 20 0 GDADMM C[C@H](CNC(=O)c1ccccc1C1(C)CC1)Nc1nccnc1-c1nnn[n-]1 ZINC001575027968 951165897 /nfs/dbraw/zinc/16/58/97/951165897.db2.gz KCNHBZNVWWASGI-GFCCVEGCSA-N -1 1 378.440 1.939 20 0 GDADMM C[C@H](CNC(=O)c1ccccc1C1(C)CC1)Nc1nccnc1-c1nn[n-]n1 ZINC001575027968 951165903 /nfs/dbraw/zinc/16/59/03/951165903.db2.gz KCNHBZNVWWASGI-GFCCVEGCSA-N -1 1 378.440 1.939 20 0 GDADMM C[C@H](CNC(=O)c1cccc(F)c1Cl)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575029270 951184457 /nfs/dbraw/zinc/18/44/57/951184457.db2.gz RYVWNEWFUXXMKA-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CNC(=O)c1cccc(F)c1Cl)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575029270 951184462 /nfs/dbraw/zinc/18/44/62/951184462.db2.gz RYVWNEWFUXXMKA-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CNC(=O)c1cccnc1C(F)F)CNc1nccnc1-c1nnn[n-]1 ZINC001575031847 951206168 /nfs/dbraw/zinc/20/61/68/951206168.db2.gz KIOPKLFSRXAUKK-SECBINFHSA-N -1 1 389.370 1.467 20 0 GDADMM C[C@@H](CNC(=O)c1cccnc1C(F)F)CNc1nccnc1-c1nn[n-]n1 ZINC001575031847 951206173 /nfs/dbraw/zinc/20/61/73/951206173.db2.gz KIOPKLFSRXAUKK-SECBINFHSA-N -1 1 389.370 1.467 20 0 GDADMM C[C@H](CNC(=O)c1ccnn1C1CCC1)CNc1nccnc1-c1nnn[n-]1 ZINC001575033829 951228720 /nfs/dbraw/zinc/22/87/20/951228720.db2.gz CCNBENMOUBVEJM-NSHDSACASA-N -1 1 382.432 1.056 20 0 GDADMM C[C@H](CNC(=O)c1ccnn1C1CCC1)CNc1nccnc1-c1nn[n-]n1 ZINC001575033829 951228728 /nfs/dbraw/zinc/22/87/28/951228728.db2.gz CCNBENMOUBVEJM-NSHDSACASA-N -1 1 382.432 1.056 20 0 GDADMM C[C@H](CNC(=O)c1ccn(C)n1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575036319 951291313 /nfs/dbraw/zinc/29/13/13/951291313.db2.gz RGVCVLSDWPYXPR-SSDOTTSWSA-N -1 1 381.853 1.188 20 0 GDADMM C[C@H](CNC(=O)c1ccn(C)n1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575036319 951291321 /nfs/dbraw/zinc/29/13/21/951291321.db2.gz RGVCVLSDWPYXPR-SSDOTTSWSA-N -1 1 381.853 1.188 20 0 GDADMM C[C@H](CNC(=O)c1ccns1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575038839 951324673 /nfs/dbraw/zinc/32/46/73/951324673.db2.gz MECUQVXOSWXWBK-ZCFIWIBFSA-N -1 1 384.878 1.688 20 0 GDADMM C[C@H](CNC(=O)c1ccns1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575038839 951324688 /nfs/dbraw/zinc/32/46/88/951324688.db2.gz MECUQVXOSWXWBK-ZCFIWIBFSA-N -1 1 384.878 1.688 20 0 GDADMM CCOc1ccc([C@H]2CCCN2C(=O)CNC2(C(=O)[O-])CCOCC2)cc1 ZINC001592426139 951328415 /nfs/dbraw/zinc/32/84/15/951328415.db2.gz NAMOMCOUWVZEGI-QGZVFWFLSA-N -1 1 376.453 1.972 20 0 GDADMM C[C@@H](CNC(=O)c1conc1C1CCCC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575056982 951525649 /nfs/dbraw/zinc/52/56/49/951525649.db2.gz NLOSEHPHWYSCBA-JTQLQIEISA-N -1 1 383.416 1.533 20 0 GDADMM C[C@@H](CNC(=O)c1conc1C1CCCC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575056982 951525659 /nfs/dbraw/zinc/52/56/59/951525659.db2.gz NLOSEHPHWYSCBA-JTQLQIEISA-N -1 1 383.416 1.533 20 0 GDADMM C[C@@H](CNC(=O)c1csc(C2CC2)n1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575057022 951525862 /nfs/dbraw/zinc/52/58/62/951525862.db2.gz NWRVETCUUMBQBP-VIFPVBQESA-N -1 1 385.457 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1csc(C2CC2)n1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575057022 951525869 /nfs/dbraw/zinc/52/58/69/951525869.db2.gz NWRVETCUUMBQBP-VIFPVBQESA-N -1 1 385.457 1.245 20 0 GDADMM C[C@H](CNC(=O)c1coc(C(F)F)c1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575057801 951529979 /nfs/dbraw/zinc/52/99/79/951529979.db2.gz QRPIAROXDJHEAF-MRVPVSSYSA-N -1 1 378.343 1.442 20 0 GDADMM C[C@H](CNC(=O)c1coc(C(F)F)c1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575057801 951529988 /nfs/dbraw/zinc/52/99/88/951529988.db2.gz QRPIAROXDJHEAF-MRVPVSSYSA-N -1 1 378.343 1.442 20 0 GDADMM C[C@H](CNC(=O)c1csc(C(C)(C)C)n1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575058816 951534802 /nfs/dbraw/zinc/53/48/02/951534802.db2.gz VKYSAQKZRBASFA-SECBINFHSA-N -1 1 387.473 1.641 20 0 GDADMM C[C@H](CNC(=O)c1csc(C(C)(C)C)n1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575058816 951534813 /nfs/dbraw/zinc/53/48/13/951534813.db2.gz VKYSAQKZRBASFA-SECBINFHSA-N -1 1 387.473 1.641 20 0 GDADMM C[C@@H](CNC(=O)c1cscc1Cl)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575060649 951544935 /nfs/dbraw/zinc/54/49/35/951544935.db2.gz BZEOKXZFELGYJF-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@@H](CNC(=O)c1cscc1Cl)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575060649 951544943 /nfs/dbraw/zinc/54/49/43/951544943.db2.gz BZEOKXZFELGYJF-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@@H](CNC(=O)c1ncsc1C1CC1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575065332 951584465 /nfs/dbraw/zinc/58/44/65/951584465.db2.gz GDXMTLFGQHFQKY-VIFPVBQESA-N -1 1 385.457 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1ncsc1C1CC1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575065332 951584472 /nfs/dbraw/zinc/58/44/72/951584472.db2.gz GDXMTLFGQHFQKY-VIFPVBQESA-N -1 1 385.457 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1ncoc1C(C)(C)C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575066111 951592640 /nfs/dbraw/zinc/59/26/40/951592640.db2.gz FOFMZYCPIPIPGY-JTQLQIEISA-N -1 1 385.432 1.197 20 0 GDADMM C[C@@H](CNC(=O)c1ncoc1C(C)(C)C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575066111 951592650 /nfs/dbraw/zinc/59/26/50/951592650.db2.gz FOFMZYCPIPIPGY-JTQLQIEISA-N -1 1 385.432 1.197 20 0 GDADMM C[C@@H](CNC(=O)c1nccs1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575068304 951634326 /nfs/dbraw/zinc/63/43/26/951634326.db2.gz ZSXHIZJDWVOWGX-LURJTMIESA-N -1 1 384.878 1.911 20 0 GDADMM C[C@H](CNC(=O)c1scnc1C1CC1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575068603 951635772 /nfs/dbraw/zinc/63/57/72/951635772.db2.gz BWXHWLARALVILO-VIFPVBQESA-N -1 1 385.457 1.469 20 0 GDADMM C[C@H](CNC(=O)c1scnc1C1CC1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575068603 951635778 /nfs/dbraw/zinc/63/57/78/951635778.db2.gz BWXHWLARALVILO-VIFPVBQESA-N -1 1 385.457 1.469 20 0 GDADMM CC(C)(C)OC(=O)N1CCC(CCCN2CCN(C(=O)C(=O)[O-])CC2)CC1 ZINC001602886136 971777863 /nfs/dbraw/zinc/77/78/63/971777863.db2.gz PDEFLXRFSKKFMW-UHFFFAOYSA-N -1 1 383.489 1.643 20 0 GDADMM O=C([O-])CNC(=O)CN1CCc2[nH]cnc2[C@@H]1c1ccc(Br)cc1 ZINC001595098277 951836626 /nfs/dbraw/zinc/83/66/26/951836626.db2.gz AKIVRYAEIJFKSY-INIZCTEOSA-N -1 1 393.241 1.321 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)CC(C)(C)CC(F)F ZINC001575136739 952128233 /nfs/dbraw/zinc/12/82/33/952128233.db2.gz WCRYCRBXEFJSRJ-JTQLQIEISA-N -1 1 382.419 1.987 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)CC(C)(C)CC(F)F ZINC001575136739 952128240 /nfs/dbraw/zinc/12/82/40/952128240.db2.gz WCRYCRBXEFJSRJ-JTQLQIEISA-N -1 1 382.419 1.987 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C(C)(C)c1ccccc1 ZINC001575142101 952147092 /nfs/dbraw/zinc/14/70/92/952147092.db2.gz IVLPCYHUJDXQOG-CYBMUJFWSA-N -1 1 380.456 1.315 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1c(F)cccc1Cl ZINC001575143615 952154503 /nfs/dbraw/zinc/15/45/03/952154503.db2.gz BNMPIKNWQFKFRW-VIFPVBQESA-N -1 1 390.810 1.444 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C1(C(F)F)CCCC1 ZINC001575144490 952167732 /nfs/dbraw/zinc/16/77/32/952167732.db2.gz VYDAEQWJTQCVID-SNVBAGLBSA-N -1 1 380.403 1.163 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cscc1Cl ZINC001575145195 952179548 /nfs/dbraw/zinc/17/95/48/952179548.db2.gz SCPAXGKTGWJYKN-MRVPVSSYSA-N -1 1 378.849 1.366 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc(C2CC2)cc1 ZINC001575145538 952185683 /nfs/dbraw/zinc/18/56/83/952185683.db2.gz ZOANZGJJGGGADV-LBPRGKRZSA-N -1 1 378.440 1.529 20 0 GDADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)c1occc1Cl)C1CC1 ZINC001575152897 952203219 /nfs/dbraw/zinc/20/32/19/952203219.db2.gz ABCZVLNSNMHMAA-INIZCTEOSA-N -1 1 388.819 1.914 20 0 GDADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)c1occc1Cl)C1CC1 ZINC001575152897 952203230 /nfs/dbraw/zinc/20/32/30/952203230.db2.gz ABCZVLNSNMHMAA-INIZCTEOSA-N -1 1 388.819 1.914 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1c(F)cc(F)cc1F ZINC001575152961 952205706 /nfs/dbraw/zinc/20/57/06/952205706.db2.gz BIDWIYRKEFNFNC-MRVPVSSYSA-N -1 1 392.345 1.647 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1c(F)cc(F)cc1F ZINC001575152961 952205712 /nfs/dbraw/zinc/20/57/12/952205712.db2.gz BIDWIYRKEFNFNC-MRVPVSSYSA-N -1 1 392.345 1.647 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)COc1ccc(F)cc1 ZINC001575154750 952231529 /nfs/dbraw/zinc/23/15/29/952231529.db2.gz VJDVRFAKVXOFIZ-LLVKDONJSA-N -1 1 386.391 1.134 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)COc1ccc(F)cc1 ZINC001575154750 952231537 /nfs/dbraw/zinc/23/15/37/952231537.db2.gz VJDVRFAKVXOFIZ-LLVKDONJSA-N -1 1 386.391 1.134 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H](F)Cc1ccccc1 ZINC001575155026 952232639 /nfs/dbraw/zinc/23/26/39/952232639.db2.gz JOACUZKYMNOUED-TZMCWYRMSA-N -1 1 384.419 1.496 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H](F)Cc1ccccc1 ZINC001575155026 952232644 /nfs/dbraw/zinc/23/26/44/952232644.db2.gz JOACUZKYMNOUED-TZMCWYRMSA-N -1 1 384.419 1.496 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1coc(C2CCC2)n1 ZINC001575155387 952238003 /nfs/dbraw/zinc/23/80/03/952238003.db2.gz MBGXLRCSOQWHJJ-JTQLQIEISA-N -1 1 383.416 1.485 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1coc(C2CCC2)n1 ZINC001575155387 952238006 /nfs/dbraw/zinc/23/80/06/952238006.db2.gz MBGXLRCSOQWHJJ-JTQLQIEISA-N -1 1 383.416 1.485 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)C[C@@H]1CCC(F)(F)C1 ZINC001575155428 952238371 /nfs/dbraw/zinc/23/83/71/952238371.db2.gz YETRGQUEXRXXFQ-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)C[C@@H]1CCC(F)(F)C1 ZINC001575155428 952238376 /nfs/dbraw/zinc/23/83/76/952238376.db2.gz YETRGQUEXRXXFQ-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)[C@H]1CCC(F)(F)C1)C1CC1 ZINC001575155867 952245182 /nfs/dbraw/zinc/24/51/82/952245182.db2.gz PMQSDKWYEZWTBD-MGPLVRAMSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)[C@H]1CCC(F)(F)C1)C1CC1 ZINC001575155867 952245185 /nfs/dbraw/zinc/24/51/85/952245185.db2.gz PMQSDKWYEZWTBD-MGPLVRAMSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cccc2c1CCC2 ZINC001575156058 952247260 /nfs/dbraw/zinc/24/72/60/952247260.db2.gz BUJRCJBRKBSLHV-GFCCVEGCSA-N -1 1 378.440 1.718 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cccc2c1CCC2 ZINC001575156058 952247265 /nfs/dbraw/zinc/24/72/65/952247265.db2.gz BUJRCJBRKBSLHV-GFCCVEGCSA-N -1 1 378.440 1.718 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1coc(C(C)(C)C)n1 ZINC001575156509 952252949 /nfs/dbraw/zinc/25/29/49/952252949.db2.gz SSHDCCDCTPVCHI-JTQLQIEISA-N -1 1 385.432 1.515 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1coc(C(C)(C)C)n1 ZINC001575156509 952252956 /nfs/dbraw/zinc/25/29/56/952252956.db2.gz SSHDCCDCTPVCHI-JTQLQIEISA-N -1 1 385.432 1.515 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)Cc1ccc(Cl)cc1 ZINC001575157263 952263775 /nfs/dbraw/zinc/26/37/75/952263775.db2.gz KPTPMKYENZCSOZ-NSHDSACASA-N -1 1 386.847 1.812 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)Cc1ccc(Cl)cc1 ZINC001575157263 952263782 /nfs/dbraw/zinc/26/37/82/952263782.db2.gz KPTPMKYENZCSOZ-NSHDSACASA-N -1 1 386.847 1.812 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1ccn(C(C)(C)C)n1 ZINC001575158019 952270446 /nfs/dbraw/zinc/27/04/46/952270446.db2.gz RAFJJHMWCUUJKM-LLVKDONJSA-N -1 1 384.448 1.181 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccn(C(C)(C)C)n1 ZINC001575158019 952270450 /nfs/dbraw/zinc/27/04/50/952270450.db2.gz RAFJJHMWCUUJKM-LLVKDONJSA-N -1 1 384.448 1.181 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1ccc(F)c(F)c1F ZINC001575159037 952275252 /nfs/dbraw/zinc/27/52/52/952275252.db2.gz YDMMCNXSYYARAY-MRVPVSSYSA-N -1 1 392.345 1.647 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc(F)c(F)c1F ZINC001575159037 952275257 /nfs/dbraw/zinc/27/52/57/952275257.db2.gz YDMMCNXSYYARAY-MRVPVSSYSA-N -1 1 392.345 1.647 20 0 GDADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)C1CCOCC1 ZINC001575164100 952287096 /nfs/dbraw/zinc/28/70/96/952287096.db2.gz BLFXZQKERKVTRJ-MRVPVSSYSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)[C@@]1(F)CCOC1 ZINC001575166029 952319286 /nfs/dbraw/zinc/31/92/86/952319286.db2.gz SCRURXOLPVSODE-WPPNPWJKSA-N -1 1 389.844 1.364 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)[C@@]1(F)CCOC1 ZINC001575166029 952319294 /nfs/dbraw/zinc/31/92/94/952319294.db2.gz SCRURXOLPVSODE-WPPNPWJKSA-N -1 1 389.844 1.364 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)COCC1CC1 ZINC001575166236 952322847 /nfs/dbraw/zinc/32/28/47/952322847.db2.gz UBIRDGVHOHEKPL-QMMMGPOBSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)COCC1CC1 ZINC001575166236 952322853 /nfs/dbraw/zinc/32/28/53/952322853.db2.gz UBIRDGVHOHEKPL-QMMMGPOBSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)C1(c2cccnc2)CC1 ZINC001575174265 952368191 /nfs/dbraw/zinc/36/81/91/952368191.db2.gz KSCYXNMPJQRRBE-LBPRGKRZSA-N -1 1 379.428 1.042 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)C1(c2cccnc2)CC1 ZINC001575174265 952368204 /nfs/dbraw/zinc/36/82/04/952368204.db2.gz KSCYXNMPJQRRBE-LBPRGKRZSA-N -1 1 379.428 1.042 20 0 GDADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)Cc1ccccc1)C1CC1 ZINC001575174298 952369075 /nfs/dbraw/zinc/36/90/75/952369075.db2.gz LJXJWHRUQJSYOM-IBGZPJMESA-N -1 1 378.440 1.596 20 0 GDADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)Cc1ccccc1)C1CC1 ZINC001575174298 952369083 /nfs/dbraw/zinc/36/90/83/952369083.db2.gz LJXJWHRUQJSYOM-IBGZPJMESA-N -1 1 378.440 1.596 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1coc(C(F)F)c1 ZINC001575174635 952376184 /nfs/dbraw/zinc/37/61/84/952376184.db2.gz BDMDDTCWQIINQO-QMMMGPOBSA-N -1 1 378.343 1.760 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1coc(C(F)F)c1 ZINC001575174635 952376188 /nfs/dbraw/zinc/37/61/88/952376188.db2.gz BDMDDTCWQIINQO-QMMMGPOBSA-N -1 1 378.343 1.760 20 0 GDADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)CCc1ccco1)C1CC1 ZINC001575174922 952380289 /nfs/dbraw/zinc/38/02/89/952380289.db2.gz UKUDFYZUUJORMA-SFHVURJKSA-N -1 1 382.428 1.579 20 0 GDADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)CCc1ccco1)C1CC1 ZINC001575174922 952380297 /nfs/dbraw/zinc/38/02/97/952380297.db2.gz UKUDFYZUUJORMA-SFHVURJKSA-N -1 1 382.428 1.579 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)Cc1[nH]nc2ccccc21 ZINC001575176400 952393157 /nfs/dbraw/zinc/39/31/57/952393157.db2.gz DENQYTAETCRQQP-NSHDSACASA-N -1 1 392.427 1.035 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)Cc1[nH]nc2ccccc21 ZINC001575176400 952393165 /nfs/dbraw/zinc/39/31/65/952393165.db2.gz DENQYTAETCRQQP-NSHDSACASA-N -1 1 392.427 1.035 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCCOC1 ZINC001575177111 952397955 /nfs/dbraw/zinc/39/79/55/952397955.db2.gz GSHVVOWWLKHEAV-IUCAKERBSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCCOC1 ZINC001575177111 952397960 /nfs/dbraw/zinc/39/79/60/952397960.db2.gz GSHVVOWWLKHEAV-IUCAKERBSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cccc(N(C)C)c1 ZINC001575178159 952404806 /nfs/dbraw/zinc/40/48/06/952404806.db2.gz KYPZHACWCHPUAP-LBPRGKRZSA-N -1 1 381.444 1.295 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cccc(N(C)C)c1 ZINC001575178159 952404814 /nfs/dbraw/zinc/40/48/14/952404814.db2.gz KYPZHACWCHPUAP-LBPRGKRZSA-N -1 1 381.444 1.295 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1scnc1C1CC1 ZINC001575180247 952417114 /nfs/dbraw/zinc/41/71/14/952417114.db2.gz UMOTZIGXJFYYDS-SECBINFHSA-N -1 1 385.457 1.563 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1scnc1C1CC1 ZINC001575180247 952417116 /nfs/dbraw/zinc/41/71/16/952417116.db2.gz UMOTZIGXJFYYDS-SECBINFHSA-N -1 1 385.457 1.563 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)COc1ccccc1F ZINC001575180943 952419655 /nfs/dbraw/zinc/41/96/55/952419655.db2.gz YHXMJDMHSDNLPT-LLVKDONJSA-N -1 1 386.391 1.134 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)COc1ccccc1F ZINC001575180943 952419657 /nfs/dbraw/zinc/41/96/57/952419657.db2.gz YHXMJDMHSDNLPT-LLVKDONJSA-N -1 1 386.391 1.134 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575187211 952439050 /nfs/dbraw/zinc/43/90/50/952439050.db2.gz ASGPYAMMPXBJBJ-LBPRGKRZSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575187211 952439053 /nfs/dbraw/zinc/43/90/53/952439053.db2.gz ASGPYAMMPXBJBJ-LBPRGKRZSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CC[C@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575187665 952443883 /nfs/dbraw/zinc/44/38/83/952443883.db2.gz DOACLGMBZHLTFF-OLZOCXBDSA-N -1 1 382.428 1.166 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CC[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575187665 952443889 /nfs/dbraw/zinc/44/38/89/952443889.db2.gz DOACLGMBZHLTFF-OLZOCXBDSA-N -1 1 382.428 1.166 20 0 GDADMM C[C@H](Cc1cccc(F)c1)C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001575187947 952445114 /nfs/dbraw/zinc/44/51/14/952445114.db2.gz FZTHUMWJFXSNLO-GFCCVEGCSA-N -1 1 384.419 1.545 20 0 GDADMM C[C@H](Cc1cccc(F)c1)C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001575187947 952445119 /nfs/dbraw/zinc/44/51/19/952445119.db2.gz FZTHUMWJFXSNLO-GFCCVEGCSA-N -1 1 384.419 1.545 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N(C)CCCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575188561 952448722 /nfs/dbraw/zinc/44/87/22/952448722.db2.gz JMJXYDWPRQXLPZ-CYBMUJFWSA-N -1 1 384.444 1.413 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N(C)CCCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575188561 952448726 /nfs/dbraw/zinc/44/87/26/952448726.db2.gz JMJXYDWPRQXLPZ-CYBMUJFWSA-N -1 1 384.444 1.413 20 0 GDADMM CC(C)(C)OC(=O)NC1CCN(CCNC(=O)[C@@H](C(=O)[O-])C2CCCC2)CC1 ZINC001602903706 971835241 /nfs/dbraw/zinc/83/52/41/971835241.db2.gz QXPMSTMEFHTOKZ-INIZCTEOSA-N -1 1 397.516 1.983 20 0 GDADMM C[C@H](Cc1cccc(F)c1)C(=O)N[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575191114 952466055 /nfs/dbraw/zinc/46/60/55/952466055.db2.gz XDWODAOFIDSUSF-NEPJUHHUSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@H](Cc1cccc(F)c1)C(=O)N[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575191114 952466058 /nfs/dbraw/zinc/46/60/58/952466058.db2.gz XDWODAOFIDSUSF-NEPJUHHUSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NCC1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575196156 952474695 /nfs/dbraw/zinc/47/46/95/952474695.db2.gz DWAOIUAHPFQIKV-HIFPTAJRSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NCC1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575196156 952474696 /nfs/dbraw/zinc/47/46/96/952474696.db2.gz DWAOIUAHPFQIKV-HIFPTAJRSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001575196612 952475388 /nfs/dbraw/zinc/47/53/88/952475388.db2.gz HSPKMPLGRBTSEW-SMDDNHRTSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001575196612 952475393 /nfs/dbraw/zinc/47/53/93/952475393.db2.gz HSPKMPLGRBTSEW-SMDDNHRTSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575196259 952475611 /nfs/dbraw/zinc/47/56/11/952475611.db2.gz GNUVWGGKRPXAIM-KPZWWZAWSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575196259 952475613 /nfs/dbraw/zinc/47/56/13/952475613.db2.gz GNUVWGGKRPXAIM-KPZWWZAWSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575197208 952480086 /nfs/dbraw/zinc/48/00/86/952480086.db2.gz QESSYRBCDWQQPM-OLZOCXBDSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575197208 952480090 /nfs/dbraw/zinc/48/00/90/952480090.db2.gz QESSYRBCDWQQPM-OLZOCXBDSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC001575197309 952481889 /nfs/dbraw/zinc/48/18/89/952481889.db2.gz SQFHKXPXEOFAKS-BZPMIXESSA-N -1 1 382.428 1.212 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C ZINC001575197309 952481891 /nfs/dbraw/zinc/48/18/91/952481891.db2.gz SQFHKXPXEOFAKS-BZPMIXESSA-N -1 1 382.428 1.212 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575197432 952484493 /nfs/dbraw/zinc/48/44/93/952484493.db2.gz VTCVKGGDXRRVOU-OLZOCXBDSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575197432 952484496 /nfs/dbraw/zinc/48/44/96/952484496.db2.gz VTCVKGGDXRRVOU-OLZOCXBDSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575197633 952486296 /nfs/dbraw/zinc/48/62/96/952486296.db2.gz YBPAFFWQHUCMCB-QWHCGFSZSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575197633 952486301 /nfs/dbraw/zinc/48/63/01/952486301.db2.gz YBPAFFWQHUCMCB-QWHCGFSZSA-N -1 1 382.428 1.214 20 0 GDADMM O=C(N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)[C@H]1Cc2ccccc21 ZINC001571120860 952510805 /nfs/dbraw/zinc/51/08/05/952510805.db2.gz RUBPSOKATWAWMY-ZFWWWQNUSA-N -1 1 376.424 1.082 20 0 GDADMM O=C(N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)[C@H]1Cc2ccccc21 ZINC001571120860 952510811 /nfs/dbraw/zinc/51/08/11/952510811.db2.gz RUBPSOKATWAWMY-ZFWWWQNUSA-N -1 1 376.424 1.082 20 0 GDADMM O=C(Cc1cc[nH]c(=O)c1Br)Nc1cccc(-c2nnn[n-]2)n1 ZINC001571120826 952510824 /nfs/dbraw/zinc/51/08/24/952510824.db2.gz RIGFIFHKXJVQGG-UHFFFAOYSA-N -1 1 376.174 1.306 20 0 GDADMM O=C(Cc1cc[nH]c(=O)c1Br)Nc1cccc(-c2nn[n-]n2)n1 ZINC001571120826 952510828 /nfs/dbraw/zinc/51/08/28/952510828.db2.gz RIGFIFHKXJVQGG-UHFFFAOYSA-N -1 1 376.174 1.306 20 0 GDADMM O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nnn[n-]3)nn1)C2)c1ccccc1 ZINC001571120913 952511839 /nfs/dbraw/zinc/51/18/39/952511839.db2.gz UAOVVYQDSLTTDD-CFVMTHIKSA-N -1 1 376.424 1.444 20 0 GDADMM O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nn[n-]n3)nn1)C2)c1ccccc1 ZINC001571120913 952511846 /nfs/dbraw/zinc/51/18/46/952511846.db2.gz UAOVVYQDSLTTDD-CFVMTHIKSA-N -1 1 376.424 1.444 20 0 GDADMM O=C(c1csc(Cl)c1)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571121621 952520191 /nfs/dbraw/zinc/52/01/91/952520191.db2.gz AUJILOFRZLCCRN-VIFPVBQESA-N -1 1 376.833 1.120 20 0 GDADMM Cc1nsc(N2CCN(C(=O)N[C@@H]3C[C@H]3C(C)C)CC2)c1-c1nn[n-]n1 ZINC001571121741 952521849 /nfs/dbraw/zinc/52/18/49/952521849.db2.gz CIYNZLVZQSXUNU-NWDGAFQWSA-N -1 1 376.490 1.508 20 0 GDADMM Cc1c(-c2nnn[n-]2)c(NC(=O)c2nc(C)ccc2Br)nn1C ZINC001571121936 952523277 /nfs/dbraw/zinc/52/32/77/952523277.db2.gz FOLUCEJOXPSWEW-UHFFFAOYSA-N -1 1 377.206 1.627 20 0 GDADMM Cc1c(-c2nn[n-]n2)c(NC(=O)c2nc(C)ccc2Br)nn1C ZINC001571121936 952523280 /nfs/dbraw/zinc/52/32/80/952523280.db2.gz FOLUCEJOXPSWEW-UHFFFAOYSA-N -1 1 377.206 1.627 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cc(Cl)cs1 ZINC001571123385 952528984 /nfs/dbraw/zinc/52/89/84/952528984.db2.gz QXDQDGLCJWNXFA-KYZUINATSA-N -1 1 376.833 1.745 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cc(Cl)cs1 ZINC001571123385 952528987 /nfs/dbraw/zinc/52/89/87/952528987.db2.gz QXDQDGLCJWNXFA-KYZUINATSA-N -1 1 376.833 1.745 20 0 GDADMM CC[C@@H](SC)C(=O)N1CCC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571123496 952530518 /nfs/dbraw/zinc/53/05/18/952530518.db2.gz SNXIJQCPIBEOBL-DGCLKSJQSA-N -1 1 376.490 1.226 20 0 GDADMM CC[C@@H](SC)C(=O)N1CCC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571123496 952530520 /nfs/dbraw/zinc/53/05/20/952530520.db2.gz SNXIJQCPIBEOBL-DGCLKSJQSA-N -1 1 376.490 1.226 20 0 GDADMM CS[C@H](C)C(=O)N1CCC[C@H]1CN(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001571124018 952533527 /nfs/dbraw/zinc/53/35/27/952533527.db2.gz XFCANKZKBMWIDO-NEPJUHHUSA-N -1 1 376.490 1.144 20 0 GDADMM CS[C@H](C)C(=O)N1CCC[C@H]1CN(C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001571124018 952533531 /nfs/dbraw/zinc/53/35/31/952533531.db2.gz XFCANKZKBMWIDO-NEPJUHHUSA-N -1 1 376.490 1.144 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001575214170 952562432 /nfs/dbraw/zinc/56/24/32/952562432.db2.gz JUQHIZYHWOVSRC-JTQLQIEISA-N -1 1 380.403 1.645 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001575214170 952562436 /nfs/dbraw/zinc/56/24/36/952562436.db2.gz JUQHIZYHWOVSRC-JTQLQIEISA-N -1 1 380.403 1.645 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575214616 952565820 /nfs/dbraw/zinc/56/58/20/952565820.db2.gz NFNIJXRNYHGWTK-JTQLQIEISA-N -1 1 380.403 1.423 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575214616 952565825 /nfs/dbraw/zinc/56/58/25/952565825.db2.gz NFNIJXRNYHGWTK-JTQLQIEISA-N -1 1 380.403 1.423 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1 ZINC001575214672 952566515 /nfs/dbraw/zinc/56/65/15/952566515.db2.gz NVFNKZPIPWUZFO-MXWKQRLJSA-N -1 1 392.414 1.564 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1 ZINC001575214672 952566520 /nfs/dbraw/zinc/56/65/20/952566520.db2.gz NVFNKZPIPWUZFO-MXWKQRLJSA-N -1 1 392.414 1.564 20 0 GDADMM Cc1nsc(N2CCN(C(=O)[C@]3(C)CCCOC3)CC2)c1-c1nn[n-]n1 ZINC001571128427 952566892 /nfs/dbraw/zinc/56/68/92/952566892.db2.gz UCXWWXLZMZYZNJ-MRXNPFEDSA-N -1 1 377.474 1.097 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575214977 952568082 /nfs/dbraw/zinc/56/80/82/952568082.db2.gz QRZMUQOCQZBKMI-UHFFFAOYSA-N -1 1 380.403 1.377 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575214977 952568084 /nfs/dbraw/zinc/56/80/84/952568084.db2.gz QRZMUQOCQZBKMI-UHFFFAOYSA-N -1 1 380.403 1.377 20 0 GDADMM Cc1nsc(NC[C@@H]2CN(C(=O)[C@H]3CCOC3)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571128781 952571200 /nfs/dbraw/zinc/57/12/00/952571200.db2.gz XMAXHYZGDQPDIZ-ADEWGFFLSA-N -1 1 377.474 1.175 20 0 GDADMM O=C(NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCC1(F)F)C1CCC1 ZINC001571129351 952573941 /nfs/dbraw/zinc/57/39/41/952573941.db2.gz CVNVKZVOKREKTH-LLVKDONJSA-N -1 1 378.387 1.035 20 0 GDADMM O=C(NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCC1(F)F)C1CCC1 ZINC001571129351 952573944 /nfs/dbraw/zinc/57/39/44/952573944.db2.gz CVNVKZVOKREKTH-LLVKDONJSA-N -1 1 378.387 1.035 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571129720 952576427 /nfs/dbraw/zinc/57/64/27/952576427.db2.gz IFLBZBHXNHJUQU-MWLCHTKSSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571129720 952576432 /nfs/dbraw/zinc/57/64/32/952576432.db2.gz IFLBZBHXNHJUQU-MWLCHTKSSA-N -1 1 378.387 1.351 20 0 GDADMM CC1(C)CN(c2ccc(-c3nnn[n-]3)nn2)CC[C@H]1NC(=O)[C@H]1CC1(F)F ZINC001571130171 952578520 /nfs/dbraw/zinc/57/85/20/952578520.db2.gz PCNVFWXMHQBKLG-MWLCHTKSSA-N -1 1 378.387 1.033 20 0 GDADMM CC1(C)CN(c2ccc(-c3nn[n-]n3)nn2)CC[C@H]1NC(=O)[C@H]1CC1(F)F ZINC001571130171 952578523 /nfs/dbraw/zinc/57/85/23/952578523.db2.gz PCNVFWXMHQBKLG-MWLCHTKSSA-N -1 1 378.387 1.033 20 0 GDADMM O=C([C@@H]1CC1(F)F)N1CCCCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571130232 952579669 /nfs/dbraw/zinc/57/96/69/952579669.db2.gz QHCRJKHALOTQBY-QWRGUYRKSA-N -1 1 378.387 1.495 20 0 GDADMM O=C([C@@H]1CC1(F)F)N1CCCCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571130232 952579671 /nfs/dbraw/zinc/57/96/71/952579671.db2.gz QHCRJKHALOTQBY-QWRGUYRKSA-N -1 1 378.387 1.495 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@H]2[C@H](CCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001571130935 952582651 /nfs/dbraw/zinc/58/26/51/952582651.db2.gz ZBFYXARPGBIGOT-MNOVXSKESA-N -1 1 378.387 1.129 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@H]2[C@H](CCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001571130935 952582653 /nfs/dbraw/zinc/58/26/53/952582653.db2.gz ZBFYXARPGBIGOT-MNOVXSKESA-N -1 1 378.387 1.129 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccccc2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571134628 952592892 /nfs/dbraw/zinc/59/28/92/952592892.db2.gz ISHYMWIGLQJUQN-ZFWWWQNUSA-N -1 1 378.440 1.867 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccccc2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571134628 952592896 /nfs/dbraw/zinc/59/28/96/952592896.db2.gz ISHYMWIGLQJUQN-ZFWWWQNUSA-N -1 1 378.440 1.867 20 0 GDADMM Cc1ccccc1C(=O)N1C[C@H](C)[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571135032 952598173 /nfs/dbraw/zinc/59/81/73/952598173.db2.gz QKBISKQRTZZEHE-UONOGXRCSA-N -1 1 378.440 1.207 20 0 GDADMM CC(C)(C(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)c1ccccc1 ZINC001571135322 952602436 /nfs/dbraw/zinc/60/24/36/952602436.db2.gz UEEZOJFHUBVGAE-UHFFFAOYSA-N -1 1 378.440 1.283 20 0 GDADMM CC(C)(C(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)c1ccccc1 ZINC001571135322 952602439 /nfs/dbraw/zinc/60/24/39/952602439.db2.gz UEEZOJFHUBVGAE-UHFFFAOYSA-N -1 1 378.440 1.283 20 0 GDADMM CCc1nc(NC[C@@H]2CCN(C(=O)c3ccccc3)C2)cc(-c2nnn[n-]2)n1 ZINC001571135418 952603477 /nfs/dbraw/zinc/60/34/77/952603477.db2.gz VPDSSQQZKUFRAG-ZDUSSCGKSA-N -1 1 378.440 1.793 20 0 GDADMM CCc1nc(NC[C@@H]2CCN(C(=O)c3ccccc3)C2)cc(-c2nn[n-]n2)n1 ZINC001571135418 952603480 /nfs/dbraw/zinc/60/34/80/952603480.db2.gz VPDSSQQZKUFRAG-ZDUSSCGKSA-N -1 1 378.440 1.793 20 0 GDADMM C[C@@H](C(=O)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)c1ccccc1 ZINC001571135379 952603552 /nfs/dbraw/zinc/60/35/52/952603552.db2.gz UVZQMSTYVJRCCW-CQSZACIVSA-N -1 1 378.440 1.499 20 0 GDADMM C[C@@H](C(=O)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)c1ccccc1 ZINC001571135379 952603556 /nfs/dbraw/zinc/60/35/56/952603556.db2.gz UVZQMSTYVJRCCW-CQSZACIVSA-N -1 1 378.440 1.499 20 0 GDADMM Cc1cc(C)cc(C(=O)NC2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)c1 ZINC001571135611 952606110 /nfs/dbraw/zinc/60/61/10/952606110.db2.gz YQDXOELQVFAOAM-UHFFFAOYSA-N -1 1 378.440 1.672 20 0 GDADMM Cc1nsc(NC(=O)N2CCC(NC(=O)C(C)C)CC2)c1-c1nnn[n-]1 ZINC001571141543 952633604 /nfs/dbraw/zinc/63/36/04/952633604.db2.gz IBONUENOTYAEJI-UHFFFAOYSA-N -1 1 378.462 1.400 20 0 GDADMM Cc1nsc(NC(=O)N2CCC(NC(=O)C(C)C)CC2)c1-c1nn[n-]n1 ZINC001571141543 952633605 /nfs/dbraw/zinc/63/36/05/952633605.db2.gz IBONUENOTYAEJI-UHFFFAOYSA-N -1 1 378.462 1.400 20 0 GDADMM O=C(Cc1ccc[nH]1)N1CC[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571142816 952646930 /nfs/dbraw/zinc/64/69/30/952646930.db2.gz ZVPQUCJEVRQQON-SECBINFHSA-N -1 1 378.849 1.560 20 0 GDADMM O=C(Cc1ccc[nH]1)N1CC[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571142816 952646936 /nfs/dbraw/zinc/64/69/36/952646936.db2.gz ZVPQUCJEVRQQON-SECBINFHSA-N -1 1 378.849 1.560 20 0 GDADMM CC1(C)CN(c2ccnc(-c3nn[n-]n3)n2)CC[C@H]1NC(=O)c1cccnc1 ZINC001571146992 952655579 /nfs/dbraw/zinc/65/55/79/952655579.db2.gz FVXRQBFNBHENFH-CYBMUJFWSA-N -1 1 379.428 1.087 20 0 GDADMM CC(=O)N(Cc1ccccn1)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571147164 952658042 /nfs/dbraw/zinc/65/80/42/952658042.db2.gz HYJWFLWJGULRDW-UHFFFAOYSA-N -1 1 379.428 1.069 20 0 GDADMM CCc1cccc(C(=O)NC[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571147535 952662601 /nfs/dbraw/zinc/66/26/01/952662601.db2.gz NJNNBQDRGZSDRU-AULYBMBSSA-N -1 1 379.428 1.235 20 0 GDADMM CCc1cccc(C(=O)NC[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571147535 952662603 /nfs/dbraw/zinc/66/26/03/952662603.db2.gz NJNNBQDRGZSDRU-AULYBMBSSA-N -1 1 379.428 1.235 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CCC[C@H]2[C@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001571148212 952665525 /nfs/dbraw/zinc/66/55/25/952665525.db2.gz VOPLBLQAXAIUQO-UONOGXRCSA-N -1 1 379.428 1.177 20 0 GDADMM Cn1cncc1C1CCN(S(=O)(=O)c2ccsc2-c2nn[n-]n2)CC1 ZINC001571150461 952668800 /nfs/dbraw/zinc/66/88/00/952668800.db2.gz AZYRWCAYOYRSFA-UHFFFAOYSA-N -1 1 379.471 1.230 20 0 GDADMM Cc1nccnc1[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC001571151966 952680016 /nfs/dbraw/zinc/68/00/16/952680016.db2.gz AKFJGQPRSLRTDB-VIFPVBQESA-N -1 1 379.833 1.658 20 0 GDADMM C[C@]1(NC(=O)c2ccn[nH]2)CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571153355 952686241 /nfs/dbraw/zinc/68/62/41/952686241.db2.gz PGINCBZRSGMAQZ-ZDUSSCGKSA-N -1 1 379.837 1.099 20 0 GDADMM C[C@]1(NC(=O)c2ccn[nH]2)CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571153355 952686250 /nfs/dbraw/zinc/68/62/50/952686250.db2.gz PGINCBZRSGMAQZ-ZDUSSCGKSA-N -1 1 379.837 1.099 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1)C(C)(F)F ZINC001571155285 952694568 /nfs/dbraw/zinc/69/45/68/952694568.db2.gz MXSNKBXQFKXEMA-QWRGUYRKSA-N -1 1 380.403 1.375 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1)C(C)(F)F ZINC001571155285 952694572 /nfs/dbraw/zinc/69/45/72/952694572.db2.gz MXSNKBXQFKXEMA-QWRGUYRKSA-N -1 1 380.403 1.375 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2CC(c3ccccc3)=NO2)n1 ZINC001571155356 952695401 /nfs/dbraw/zinc/69/54/01/952695401.db2.gz PCPSKXKXPAOBET-AWEZNQCLSA-N -1 1 380.412 1.950 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2CC(c3ccccc3)=NO2)n1 ZINC001571155356 952695405 /nfs/dbraw/zinc/69/54/05/952695405.db2.gz PCPSKXKXPAOBET-AWEZNQCLSA-N -1 1 380.412 1.950 20 0 GDADMM Cc1cc(C(=O)N(C)C2CC(Nc3ccc(-c4nnn[n-]4)nn3)C2)cc(C)n1 ZINC001571155989 952699775 /nfs/dbraw/zinc/69/97/75/952699775.db2.gz ABWPRCQMTKIFRM-UHFFFAOYSA-N -1 1 379.428 1.384 20 0 GDADMM Cc1cc(C(=O)N(C)C2CC(Nc3ccc(-c4nn[n-]n4)nn3)C2)cc(C)n1 ZINC001571155989 952699780 /nfs/dbraw/zinc/69/97/80/952699780.db2.gz ABWPRCQMTKIFRM-UHFFFAOYSA-N -1 1 379.428 1.384 20 0 GDADMM Cc1ccncc1C(=O)N1CCC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571156005 952700027 /nfs/dbraw/zinc/70/00/27/952700027.db2.gz AQKBVAVQAZDQBJ-CYBMUJFWSA-N -1 1 379.428 1.101 20 0 GDADMM Cc1ccc(C(=O)N2C[C@H](C)[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)cn1 ZINC001571156088 952700689 /nfs/dbraw/zinc/70/06/89/952700689.db2.gz CDHMAUPXTUFRMS-FZMZJTMJSA-N -1 1 379.428 1.180 20 0 GDADMM Cc1ccc(C(=O)N2C[C@H](C)[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)cn1 ZINC001571156088 952700691 /nfs/dbraw/zinc/70/06/91/952700691.db2.gz CDHMAUPXTUFRMS-FZMZJTMJSA-N -1 1 379.428 1.180 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CC[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001571157087 952705422 /nfs/dbraw/zinc/70/54/22/952705422.db2.gz MIXLUQWEUWAKEQ-TZMCWYRMSA-N -1 1 379.428 1.371 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CC[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571157087 952705427 /nfs/dbraw/zinc/70/54/27/952705427.db2.gz MIXLUQWEUWAKEQ-TZMCWYRMSA-N -1 1 379.428 1.371 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@]3(NC(=O)c4ccoc4)CCC[C@@H]23)n1 ZINC001571157874 952707861 /nfs/dbraw/zinc/70/78/61/952707861.db2.gz BGURMWFKZVAXFF-RDTXWAMCSA-N -1 1 380.412 1.490 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@]3(NC(=O)c4ccoc4)CCC[C@@H]23)n1 ZINC001571157874 952707865 /nfs/dbraw/zinc/70/78/65/952707865.db2.gz BGURMWFKZVAXFF-RDTXWAMCSA-N -1 1 380.412 1.490 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@]3(NC(=O)c4ccoc4)CCC[C@H]23)n1 ZINC001571157873 952708446 /nfs/dbraw/zinc/70/84/46/952708446.db2.gz BGURMWFKZVAXFF-KSSFIOAISA-N -1 1 380.412 1.490 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@]3(NC(=O)c4ccoc4)CCC[C@H]23)n1 ZINC001571157873 952708449 /nfs/dbraw/zinc/70/84/49/952708449.db2.gz BGURMWFKZVAXFF-KSSFIOAISA-N -1 1 380.412 1.490 20 0 GDADMM Cc1ccc(N2C[C@@H](C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CC2=O)cc1C ZINC001571158443 952711220 /nfs/dbraw/zinc/71/12/20/952711220.db2.gz HUUBOIRCDOOBED-LBPRGKRZSA-N -1 1 380.412 1.209 20 0 GDADMM Cc1ccc(N2C[C@@H](C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CC2=O)cc1C ZINC001571158443 952711224 /nfs/dbraw/zinc/71/12/24/952711224.db2.gz HUUBOIRCDOOBED-LBPRGKRZSA-N -1 1 380.412 1.209 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2C[C@H](NC(=O)c3ccccc3O)C2)n1 ZINC001571159261 952718381 /nfs/dbraw/zinc/71/83/81/952718381.db2.gz SJKMTJVTCSWHCG-HAQNSBGRSA-N -1 1 380.412 1.291 20 0 GDADMM O=C(N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)[C@@H]1C[C@H]1c1ccco1 ZINC001571161594 952733939 /nfs/dbraw/zinc/73/39/39/952733939.db2.gz XVQLYQLRQBISPJ-YNEHKIRRSA-N -1 1 380.412 1.138 20 0 GDADMM O=C(N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)[C@@H]1C[C@H]1c1ccco1 ZINC001571161594 952733943 /nfs/dbraw/zinc/73/39/43/952733943.db2.gz XVQLYQLRQBISPJ-YNEHKIRRSA-N -1 1 380.412 1.138 20 0 GDADMM Cc1occc1C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1nccnc1-c1nnn[n-]1)C2 ZINC001571161645 952734323 /nfs/dbraw/zinc/73/43/23/952734323.db2.gz ZMYGBGVAYPYFHZ-XQQFMLRXSA-N -1 1 380.412 1.345 20 0 GDADMM Cc1occc1C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1nccnc1-c1nn[n-]n1)C2 ZINC001571161645 952734324 /nfs/dbraw/zinc/73/43/24/952734324.db2.gz ZMYGBGVAYPYFHZ-XQQFMLRXSA-N -1 1 380.412 1.345 20 0 GDADMM O=C(c1occ2c1CCC2)N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571162420 952743217 /nfs/dbraw/zinc/74/32/17/952743217.db2.gz TXTDYKPJWNMBLN-LBPRGKRZSA-N -1 1 380.412 1.455 20 0 GDADMM O=C(c1occ2c1CCC2)N1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571162420 952743221 /nfs/dbraw/zinc/74/32/21/952743221.db2.gz TXTDYKPJWNMBLN-LBPRGKRZSA-N -1 1 380.412 1.455 20 0 GDADMM O=C([C@@H]1CC12CCC2)N1CC[C@@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571171550 952793981 /nfs/dbraw/zinc/79/39/81/952793981.db2.gz BTDJNWCYBNNAHC-SCLBCKFNSA-N -1 1 380.456 1.276 20 0 GDADMM O=C(N[C@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nn1)CC2)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001571172097 952801171 /nfs/dbraw/zinc/80/11/71/952801171.db2.gz MFGGPEKGUVUXET-CQJJVWNLSA-N -1 1 380.456 1.178 20 0 GDADMM O=C(N[C@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nn1)CC2)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001571172097 952801174 /nfs/dbraw/zinc/80/11/74/952801174.db2.gz MFGGPEKGUVUXET-CQJJVWNLSA-N -1 1 380.456 1.178 20 0 GDADMM O=C([C@H]1CC12CC2)N1CCC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001571172129 952802482 /nfs/dbraw/zinc/80/24/82/952802482.db2.gz NKOQHRNSPTUIDI-ACJLOTCBSA-N -1 1 380.456 1.276 20 0 GDADMM O=C([C@H]1CC12CC2)N1CCC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001571172129 952802487 /nfs/dbraw/zinc/80/24/87/952802487.db2.gz NKOQHRNSPTUIDI-ACJLOTCBSA-N -1 1 380.456 1.276 20 0 GDADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001571172570 952808726 /nfs/dbraw/zinc/80/87/26/952808726.db2.gz XJSXBRPIGSBLLR-MTPJIJQVSA-N -1 1 380.456 1.319 20 0 GDADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001571172570 952808733 /nfs/dbraw/zinc/80/87/33/952808733.db2.gz XJSXBRPIGSBLLR-MTPJIJQVSA-N -1 1 380.456 1.319 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@H]3C[C@@H](C2)N(C(=O)c2cocn2)C3)n1 ZINC001571174883 952816035 /nfs/dbraw/zinc/81/60/35/952816035.db2.gz LLWLSTHWBNRYAF-SRVKXCTJSA-N -1 1 381.400 1.058 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@H]3C[C@@H](C2)N(C(=O)c2cocn2)C3)n1 ZINC001571174883 952816039 /nfs/dbraw/zinc/81/60/39/952816039.db2.gz LLWLSTHWBNRYAF-SRVKXCTJSA-N -1 1 381.400 1.058 20 0 GDADMM CCc1[nH]ccc1C(=O)N[C@H]1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571183657 952881032 /nfs/dbraw/zinc/88/10/32/952881032.db2.gz GZSHAMNJKBECCV-FZMZJTMJSA-N -1 1 381.444 1.558 20 0 GDADMM CCc1[nH]ccc1C(=O)N[C@H]1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571183657 952881036 /nfs/dbraw/zinc/88/10/36/952881036.db2.gz GZSHAMNJKBECCV-FZMZJTMJSA-N -1 1 381.444 1.558 20 0 GDADMM CC[C@@H]1CN(C(=O)c2cc[nH]c2C)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571184024 952887560 /nfs/dbraw/zinc/88/75/60/952887560.db2.gz OOQWVJSHZHZYAM-TZMCWYRMSA-N -1 1 381.444 1.068 20 0 GDADMM CCn1ccc(C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)c1C ZINC001571184649 952894974 /nfs/dbraw/zinc/89/49/74/952894974.db2.gz CFEJXUSOEYSBEF-ZDUSSCGKSA-N -1 1 381.444 1.185 20 0 GDADMM CCn1ccc(C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)c1C ZINC001571184649 952894986 /nfs/dbraw/zinc/89/49/86/952894986.db2.gz CFEJXUSOEYSBEF-ZDUSSCGKSA-N -1 1 381.444 1.185 20 0 GDADMM Cc1c[nH]cc1C(=O)N[C@H]1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571184782 952896970 /nfs/dbraw/zinc/89/69/70/952896970.db2.gz DAKFILTZOKXEEQ-JSGCOSHPSA-N -1 1 381.444 1.694 20 0 GDADMM Cc1c[nH]cc1C(=O)N[C@H]1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571184782 952896978 /nfs/dbraw/zinc/89/69/78/952896978.db2.gz DAKFILTZOKXEEQ-JSGCOSHPSA-N -1 1 381.444 1.694 20 0 GDADMM Cc1c(C(=O)N2CCC(CNc3nccnc3-c3nnn[n-]3)CC2)ccn1C ZINC001571186264 952905533 /nfs/dbraw/zinc/90/55/33/952905533.db2.gz URVWBNGQYJCCPG-UHFFFAOYSA-N -1 1 381.444 1.268 20 0 GDADMM Cc1c(C(=O)N2CCC(CNc3nccnc3-c3nn[n-]n3)CC2)ccn1C ZINC001571186264 952905535 /nfs/dbraw/zinc/90/55/35/952905535.db2.gz URVWBNGQYJCCPG-UHFFFAOYSA-N -1 1 381.444 1.268 20 0 GDADMM CCn1cccc1C(=O)N1CC[C@H]([C@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571186253 952905600 /nfs/dbraw/zinc/90/56/00/952905600.db2.gz UHMGNDXQHWBKJC-STQMWFEESA-N -1 1 381.444 1.441 20 0 GDADMM CCn1cccc1C(=O)N1CC[C@H]([C@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571186253 952905604 /nfs/dbraw/zinc/90/56/04/952905604.db2.gz UHMGNDXQHWBKJC-STQMWFEESA-N -1 1 381.444 1.441 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CC[C@H](C)[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571189540 952930719 /nfs/dbraw/zinc/93/07/19/952930719.db2.gz WZBOAFZGORIZJA-WCQYABFASA-N -1 1 381.444 1.504 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CC[C@H](C)[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571189540 952930722 /nfs/dbraw/zinc/93/07/22/952930722.db2.gz WZBOAFZGORIZJA-WCQYABFASA-N -1 1 381.444 1.504 20 0 GDADMM Cc1nsc(NC(=O)NCc2ccc(OC(F)F)cn2)c1-c1nnn[n-]1 ZINC001571194182 952959604 /nfs/dbraw/zinc/95/96/04/952959604.db2.gz HUTFERCYINQOOY-UHFFFAOYSA-N -1 1 382.356 1.950 20 0 GDADMM Cc1nsc(NC(=O)NCc2ccc(OC(F)F)cn2)c1-c1nn[n-]n1 ZINC001571194182 952959609 /nfs/dbraw/zinc/95/96/09/952959609.db2.gz HUTFERCYINQOOY-UHFFFAOYSA-N -1 1 382.356 1.950 20 0 GDADMM Cc1nc(O[C@@H](C)C(F)(F)F)ccc1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001571194298 952960950 /nfs/dbraw/zinc/96/09/50/952960950.db2.gz JVLLKBBJKFLJLU-ZETCQYMHSA-N -1 1 382.306 1.875 20 0 GDADMM Cc1nc(O[C@@H](C)C(F)(F)F)ccc1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001571194298 952960955 /nfs/dbraw/zinc/96/09/55/952960955.db2.gz JVLLKBBJKFLJLU-ZETCQYMHSA-N -1 1 382.306 1.875 20 0 GDADMM Cc1cc(F)ccc1C(=O)N1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001571195992 952979428 /nfs/dbraw/zinc/97/94/28/952979428.db2.gz GKVWPVNLQPRHRY-YPMHNXCESA-N -1 1 382.403 1.819 20 0 GDADMM Cc1cc(F)ccc1C(=O)N1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001571195992 952979432 /nfs/dbraw/zinc/97/94/32/952979432.db2.gz GKVWPVNLQPRHRY-YPMHNXCESA-N -1 1 382.403 1.819 20 0 GDADMM Cc1cc(C(=O)N2C[C@@H](C)[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)ccc1F ZINC001571196516 952983288 /nfs/dbraw/zinc/98/32/88/952983288.db2.gz LRPLBRFKSDWXQB-RISCZKNCSA-N -1 1 382.403 1.099 20 0 GDADMM Cc1cccc(C(=O)N2CCC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c1F ZINC001571196906 952984171 /nfs/dbraw/zinc/98/41/71/952984171.db2.gz PJUFDIVNGGLEBO-GFCCVEGCSA-N -1 1 382.403 1.821 20 0 GDADMM Cc1cccc(C(=O)N2CCC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c1F ZINC001571196906 952984174 /nfs/dbraw/zinc/98/41/74/952984174.db2.gz PJUFDIVNGGLEBO-GFCCVEGCSA-N -1 1 382.403 1.821 20 0 GDADMM O=C([C@@H](F)c1ccccc1)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571197419 952989919 /nfs/dbraw/zinc/98/99/19/952989919.db2.gz ZPJFRYIJUYSJPH-CJNGLKHVSA-N -1 1 382.403 1.770 20 0 GDADMM O=C([C@@H](F)c1ccccc1)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571197419 952989923 /nfs/dbraw/zinc/98/99/23/952989923.db2.gz ZPJFRYIJUYSJPH-CJNGLKHVSA-N -1 1 382.403 1.770 20 0 GDADMM CN(C[C@H]1CCCCN1C(=O)Cc1ccoc1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571199223 952998007 /nfs/dbraw/zinc/99/80/07/952998007.db2.gz NQMRUAQNPDCADZ-CQSZACIVSA-N -1 1 382.428 1.310 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)[C@H]2C)oc1C ZINC001571200446 953008909 /nfs/dbraw/zinc/00/89/09/953008909.db2.gz CHPQCBGPWFKRCU-AAEUAGOBSA-N -1 1 382.428 1.654 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)[C@H]2C)oc1C ZINC001571200446 953008911 /nfs/dbraw/zinc/00/89/11/953008911.db2.gz CHPQCBGPWFKRCU-AAEUAGOBSA-N -1 1 382.428 1.654 20 0 GDADMM O=C(c1ccc(CF)cc1)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571200812 953011652 /nfs/dbraw/zinc/01/16/52/953011652.db2.gz LYTPIHZNSGEXSZ-AWEZNQCLSA-N -1 1 382.403 1.843 20 0 GDADMM O=C(c1ccc(CF)cc1)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571200812 953011658 /nfs/dbraw/zinc/01/16/58/953011658.db2.gz LYTPIHZNSGEXSZ-AWEZNQCLSA-N -1 1 382.403 1.843 20 0 GDADMM Cc1ccc(CC(=O)N2CCC(CNc3cnc(-c4nnn[n-]4)cn3)CC2)o1 ZINC001571200794 953011861 /nfs/dbraw/zinc/01/18/61/953011861.db2.gz GJBDRVRCWSFWNV-UHFFFAOYSA-N -1 1 382.428 1.451 20 0 GDADMM Cc1ccc(CC(=O)N2CCC(CNc3cnc(-c4nn[n-]n4)cn3)CC2)o1 ZINC001571200794 953011862 /nfs/dbraw/zinc/01/18/62/953011862.db2.gz GJBDRVRCWSFWNV-UHFFFAOYSA-N -1 1 382.428 1.451 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@@H]2CN(C)c2ccnc(-c3nn[n-]n3)n2)c(C)o1 ZINC001571201026 953014359 /nfs/dbraw/zinc/01/43/59/953014359.db2.gz IEWGGUMLEWMMBF-CYBMUJFWSA-N -1 1 382.428 1.608 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccc(CF)cc1 ZINC001571201438 953017777 /nfs/dbraw/zinc/01/77/77/953017777.db2.gz PYGBEGUXELSDIU-XBXGTLAGSA-N -1 1 382.403 1.747 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccc(CF)cc1 ZINC001571201438 953017780 /nfs/dbraw/zinc/01/77/80/953017780.db2.gz PYGBEGUXELSDIU-XBXGTLAGSA-N -1 1 382.403 1.747 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@H](N(C)c3nccnc3-c3nnn[n-]3)C2)oc1C ZINC001571202120 953022678 /nfs/dbraw/zinc/02/26/78/953022678.db2.gz RCWHCQXRGPWBNL-ZDUSSCGKSA-N -1 1 382.428 1.608 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@H](N(C)c3nccnc3-c3nn[n-]n3)C2)oc1C ZINC001571202120 953022682 /nfs/dbraw/zinc/02/26/82/953022682.db2.gz RCWHCQXRGPWBNL-ZDUSSCGKSA-N -1 1 382.428 1.608 20 0 GDADMM Cc1cocc1C(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1 ZINC001571202805 953029095 /nfs/dbraw/zinc/02/90/95/953029095.db2.gz YYKWHMHAFJNVES-DGCLKSJQSA-N -1 1 382.428 1.768 20 0 GDADMM Cc1cocc1C(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1 ZINC001571202805 953029100 /nfs/dbraw/zinc/02/91/00/953029100.db2.gz YYKWHMHAFJNVES-DGCLKSJQSA-N -1 1 382.428 1.768 20 0 GDADMM Cc1occc1C(=O)N[C@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001571205041 953034511 /nfs/dbraw/zinc/03/45/11/953034511.db2.gz FXCNDXKGJBCJAH-JOCQHMNTSA-N -1 1 382.428 1.959 20 0 GDADMM Cc1occc1C(=O)N[C@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001571205041 953034516 /nfs/dbraw/zinc/03/45/16/953034516.db2.gz FXCNDXKGJBCJAH-JOCQHMNTSA-N -1 1 382.428 1.959 20 0 GDADMM CC(C)n1cc(C(=O)N2CCC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001571206631 953052813 /nfs/dbraw/zinc/05/28/13/953052813.db2.gz SCGNXQKETGGLEG-CYBMUJFWSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1cc(C(=O)N2CCC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001571206631 953052817 /nfs/dbraw/zinc/05/28/17/953052817.db2.gz SCGNXQKETGGLEG-CYBMUJFWSA-N -1 1 382.432 1.151 20 0 GDADMM O=C(N[C@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2)c1ccsc1 ZINC001571209720 953066641 /nfs/dbraw/zinc/06/66/41/953066641.db2.gz BSCZYWRQKKKQLR-LBPRGKRZSA-N -1 1 382.453 1.507 20 0 GDADMM O=C(c1sccc1C1CC1)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571209847 953067439 /nfs/dbraw/zinc/06/74/39/953067439.db2.gz GPADDTSYQIDSSR-NSHDSACASA-N -1 1 382.453 1.922 20 0 GDADMM O=C(c1sccc1C1CC1)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571209847 953067443 /nfs/dbraw/zinc/06/74/43/953067443.db2.gz GPADDTSYQIDSSR-NSHDSACASA-N -1 1 382.453 1.922 20 0 GDADMM O=C(N[C@]12CCC[C@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2)c1cccs1 ZINC001571210236 953071495 /nfs/dbraw/zinc/07/14/95/953071495.db2.gz PFTGZLMSZRDQKZ-PXAZEXFGSA-N -1 1 382.453 1.650 20 0 GDADMM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)c1ccsc1 ZINC001571210687 953074148 /nfs/dbraw/zinc/07/41/48/953074148.db2.gz VQKLDFWIGYPEID-PQFRYHKHSA-N -1 1 382.453 1.073 20 0 GDADMM CN(c1cnc(-c2nnn[n-]2)cn1)C1CCN(C(=O)[C@@]23C[C@@H]2CCCC3)CC1 ZINC001571211561 953078804 /nfs/dbraw/zinc/07/88/04/953078804.db2.gz BRHHJWZODBCEMK-DJJJIMSYSA-N -1 1 382.472 1.664 20 0 GDADMM CN(c1cnc(-c2nn[n-]n2)cn1)C1CCN(C(=O)[C@@]23C[C@@H]2CCCC3)CC1 ZINC001571211561 953078807 /nfs/dbraw/zinc/07/88/07/953078807.db2.gz BRHHJWZODBCEMK-DJJJIMSYSA-N -1 1 382.472 1.664 20 0 GDADMM CC1CC(C(=O)N2CC[C@@]3(C2)CCCN(c2ccc(-c4nnn[n-]4)nn2)C3)C1 ZINC001571212458 953087986 /nfs/dbraw/zinc/08/79/86/953087986.db2.gz MCTCENCNUUSHRV-MHVYXZCWSA-N -1 1 382.472 1.522 20 0 GDADMM CC1CC(C(=O)N2CC[C@@]3(C2)CCCN(c2ccc(-c4nn[n-]n4)nn2)C3)C1 ZINC001571212458 953087989 /nfs/dbraw/zinc/08/79/89/953087989.db2.gz MCTCENCNUUSHRV-MHVYXZCWSA-N -1 1 382.472 1.522 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)NC1CC2(C1)CC(Nc1ccc(-c3nnn[n-]3)nn1)C2 ZINC001571212533 953088794 /nfs/dbraw/zinc/08/87/94/953088794.db2.gz MWKOERBABVSXET-SPKCYCRISA-N -1 1 382.472 1.788 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)NC1CC2(C1)CC(Nc1ccc(-c3nn[n-]n3)nn1)C2 ZINC001571212533 953088800 /nfs/dbraw/zinc/08/88/00/953088800.db2.gz MWKOERBABVSXET-SPKCYCRISA-N -1 1 382.472 1.788 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H]3[C@H](CCCN3C(=O)C3CC3)C2)n1 ZINC001571212522 953089145 /nfs/dbraw/zinc/08/91/45/953089145.db2.gz MWIPCLHNBLFJPE-HIFRSBDPSA-N -1 1 382.472 1.446 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H]3[C@H](CCCN3C(=O)C3CC3)C2)n1 ZINC001571212522 953089150 /nfs/dbraw/zinc/08/91/50/953089150.db2.gz MWIPCLHNBLFJPE-HIFRSBDPSA-N -1 1 382.472 1.446 20 0 GDADMM CC1(C)C[C@H]1C(=O)N1CC[C@]2(C1)CCCN(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001571213280 953094032 /nfs/dbraw/zinc/09/40/32/953094032.db2.gz QYWHGELMWIILOS-ORAYPTAESA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)C[C@H]1C(=O)N1CC[C@]2(C1)CCCN(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001571213280 953094037 /nfs/dbraw/zinc/09/40/37/953094037.db2.gz QYWHGELMWIILOS-ORAYPTAESA-N -1 1 382.472 1.522 20 0 GDADMM Cc1nn(C(C)C)cc1C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571213455 953095513 /nfs/dbraw/zinc/09/55/13/953095513.db2.gz UDFKUYNRUKKWIO-TXEJJXNPSA-N -1 1 382.432 1.115 20 0 GDADMM Cc1nn(C(C)C)cc1C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571213455 953095518 /nfs/dbraw/zinc/09/55/18/953095518.db2.gz UDFKUYNRUKKWIO-TXEJJXNPSA-N -1 1 382.432 1.115 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)C(C3CC3)C3CC3)C2)cc(-c2nnn[n-]2)n1 ZINC001571213649 953096886 /nfs/dbraw/zinc/09/68/86/953096886.db2.gz SRPBCRACNCNICO-CYBMUJFWSA-N -1 1 382.472 1.668 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)C(C3CC3)C3CC3)C2)cc(-c2nn[n-]n2)n1 ZINC001571213649 953096890 /nfs/dbraw/zinc/09/68/90/953096890.db2.gz SRPBCRACNCNICO-CYBMUJFWSA-N -1 1 382.472 1.668 20 0 GDADMM C[C@@H]1CCN(C(=O)C2CC3(CC3)C2)[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571214469 953102515 /nfs/dbraw/zinc/10/25/15/953102515.db2.gz ZDKWYZYLIQGNIT-OCCSQVGLSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@@H]1CCN(C(=O)C2CC3(CC3)C2)[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571214469 953102519 /nfs/dbraw/zinc/10/25/19/953102519.db2.gz ZDKWYZYLIQGNIT-OCCSQVGLSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(CC(=O)N2C[C@@H]3CCC[C@H](Nc4nccnc4-c4nnn[n-]4)[C@@H]3C2)CC1 ZINC001571214492 953102967 /nfs/dbraw/zinc/10/29/67/953102967.db2.gz ZWXKGOGGOVMEJB-MJBXVCDLSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(CC(=O)N2C[C@@H]3CCC[C@H](Nc4nccnc4-c4nn[n-]n4)[C@@H]3C2)CC1 ZINC001571214492 953102971 /nfs/dbraw/zinc/10/29/71/953102971.db2.gz ZWXKGOGGOVMEJB-MJBXVCDLSA-N -1 1 382.472 1.886 20 0 GDADMM O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CC[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571217256 953106579 /nfs/dbraw/zinc/10/65/79/953106579.db2.gz DEPIJRCCCFXRIY-SZOQZIPDSA-N -1 1 382.472 1.743 20 0 GDADMM O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CC[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571217256 953106580 /nfs/dbraw/zinc/10/65/80/953106580.db2.gz DEPIJRCCCFXRIY-SZOQZIPDSA-N -1 1 382.472 1.743 20 0 GDADMM O=C(CCC1CC1)N1C[C@@H]2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@H]2C1 ZINC001571217295 953107380 /nfs/dbraw/zinc/10/73/80/953107380.db2.gz DVVOADHHCWTIRO-SOUVJXGZSA-N -1 1 382.472 1.886 20 0 GDADMM O=C(CCC1CC1)N1C[C@@H]2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@H]2C1 ZINC001571217295 953107383 /nfs/dbraw/zinc/10/73/83/953107383.db2.gz DVVOADHHCWTIRO-SOUVJXGZSA-N -1 1 382.472 1.886 20 0 GDADMM O=C(NC[C@H]1CCCCCN1c1nccnc1-c1nnn[n-]1)[C@H]1CC12CCC2 ZINC001571217689 953110283 /nfs/dbraw/zinc/11/02/83/953110283.db2.gz IFCSCHYDBVMHFH-ZIAGYGMSSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(NC[C@H]1CCCCCN1c1nccnc1-c1nn[n-]n1)[C@H]1CC12CCC2 ZINC001571217689 953110285 /nfs/dbraw/zinc/11/02/85/953110285.db2.gz IFCSCHYDBVMHFH-ZIAGYGMSSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)C12CCC(CC1)CC2 ZINC001571217706 953110910 /nfs/dbraw/zinc/11/09/10/953110910.db2.gz IUYQIFDZMQTSRO-DNPRYDFPSA-N -1 1 382.472 1.934 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)C12CCC(CC1)CC2 ZINC001571217706 953110912 /nfs/dbraw/zinc/11/09/12/953110912.db2.gz IUYQIFDZMQTSRO-DNPRYDFPSA-N -1 1 382.472 1.934 20 0 GDADMM O=C(NC[C@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)C12CCC(CC1)C2 ZINC001571218468 953114713 /nfs/dbraw/zinc/11/47/13/953114713.db2.gz OVFGXKXDFGDAMU-UWCWSIQASA-N -1 1 382.472 1.934 20 0 GDADMM O=C(NC[C@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)C12CCC(CC1)C2 ZINC001571218468 953114719 /nfs/dbraw/zinc/11/47/19/953114719.db2.gz OVFGXKXDFGDAMU-UWCWSIQASA-N -1 1 382.472 1.934 20 0 GDADMM O=C(N[C@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cncc(F)c1 ZINC001571218964 953121814 /nfs/dbraw/zinc/12/18/14/953121814.db2.gz IBRQUUKRMLCVQA-OLZOCXBDSA-N -1 1 383.391 1.344 20 0 GDADMM O=C(N[C@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cncc(F)c1 ZINC001571218964 953121817 /nfs/dbraw/zinc/12/18/17/953121817.db2.gz IBRQUUKRMLCVQA-OLZOCXBDSA-N -1 1 383.391 1.344 20 0 GDADMM O=C([C@@H]1C[C@H]1C1CCC1)N1CCC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571219137 953123399 /nfs/dbraw/zinc/12/33/99/953123399.db2.gz WDHSIYMFNZEDBX-VHDGCEQUSA-N -1 1 382.472 1.743 20 0 GDADMM O=C([C@@H]1C[C@H]1C1CCC1)N1CCC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571219137 953123400 /nfs/dbraw/zinc/12/34/00/953123400.db2.gz WDHSIYMFNZEDBX-VHDGCEQUSA-N -1 1 382.472 1.743 20 0 GDADMM O=C(N[C@@H]1CCCC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1)c1ccncc1F ZINC001571219719 953126683 /nfs/dbraw/zinc/12/66/83/953126683.db2.gz QWQCCQOWUNJOTD-CHWSQXEVSA-N -1 1 383.391 1.344 20 0 GDADMM O=C(N[C@@H]1CCCC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1)c1ccncc1F ZINC001571219719 953126685 /nfs/dbraw/zinc/12/66/85/953126685.db2.gz QWQCCQOWUNJOTD-CHWSQXEVSA-N -1 1 383.391 1.344 20 0 GDADMM CC(C)c1nocc1C(=O)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571222574 953136000 /nfs/dbraw/zinc/13/60/00/953136000.db2.gz JPMPTVXFFKCUMH-UHFFFAOYSA-N -1 1 383.416 1.121 20 0 GDADMM CC(C)c1nocc1C(=O)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571222574 953136004 /nfs/dbraw/zinc/13/60/04/953136004.db2.gz JPMPTVXFFKCUMH-UHFFFAOYSA-N -1 1 383.416 1.121 20 0 GDADMM CCc1nc(N[C@@H]2CCCC[C@H]2NC(=O)c2cocn2)cc(-c2nnn[n-]2)n1 ZINC001571222596 953136952 /nfs/dbraw/zinc/13/69/52/953136952.db2.gz HSUZYCAMLJDJRZ-GHMZBOCLSA-N -1 1 383.416 1.360 20 0 GDADMM CCc1nc(N[C@@H]2CCCC[C@H]2NC(=O)c2cocn2)cc(-c2nn[n-]n2)n1 ZINC001571222596 953136953 /nfs/dbraw/zinc/13/69/53/953136953.db2.gz HSUZYCAMLJDJRZ-GHMZBOCLSA-N -1 1 383.416 1.360 20 0 GDADMM CCc1ocnc1C(=O)N1CCC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571222948 953140403 /nfs/dbraw/zinc/14/04/03/953140403.db2.gz ODHSKBJTNBETQS-NSHDSACASA-N -1 1 383.416 1.171 20 0 GDADMM CCc1ocnc1C(=O)N1CCC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571222948 953140407 /nfs/dbraw/zinc/14/04/07/953140407.db2.gz ODHSKBJTNBETQS-NSHDSACASA-N -1 1 383.416 1.171 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571223454 953144334 /nfs/dbraw/zinc/14/43/34/953144334.db2.gz RDXFATPAYORNOE-PHIMTYICSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571223454 953144339 /nfs/dbraw/zinc/14/43/39/953144339.db2.gz RDXFATPAYORNOE-PHIMTYICSA-N -1 1 383.416 1.389 20 0 GDADMM Cc1noc(C)c1C(=O)N[C@@H]1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571224896 953151410 /nfs/dbraw/zinc/15/14/10/953151410.db2.gz GAGGYLQLILNPIZ-VXGBXAGGSA-N -1 1 383.416 1.272 20 0 GDADMM Cc1noc(C)c1C(=O)N[C@@H]1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571224896 953151412 /nfs/dbraw/zinc/15/14/12/953151412.db2.gz GAGGYLQLILNPIZ-VXGBXAGGSA-N -1 1 383.416 1.272 20 0 GDADMM Cc1noc(C)c1C(=O)N1CCC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571226966 953157803 /nfs/dbraw/zinc/15/78/03/953157803.db2.gz YATBWQOJNNSVDW-GFCCVEGCSA-N -1 1 383.416 1.226 20 0 GDADMM Cc1noc(C)c1C(=O)N1CCC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571226966 953157805 /nfs/dbraw/zinc/15/78/05/953157805.db2.gz YATBWQOJNNSVDW-GFCCVEGCSA-N -1 1 383.416 1.226 20 0 GDADMM Cc1nsc(N2CCCC[C@@H]2CNC(=O)[C@H]2CC2(F)F)c1-c1nn[n-]n1 ZINC001571230377 953176801 /nfs/dbraw/zinc/17/68/01/953176801.db2.gz WPZQEVGHRPMTKK-NXEZZACHSA-N -1 1 383.428 1.762 20 0 GDADMM CC[C@H](F)C(=O)N1CCCO[C@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571230829 953180506 /nfs/dbraw/zinc/18/05/06/953180506.db2.gz LKBZXGAJLFRLNK-MNOVXSKESA-N -1 1 383.453 1.409 20 0 GDADMM O=C(NC[C@H]1CCCN1c1nc(-c2nn[n-]n2)c(Cl)s1)[C@@H]1CCCO1 ZINC001571234514 953202866 /nfs/dbraw/zinc/20/28/66/953202866.db2.gz ANPCAWNWFMQLIF-BDAKNGLRSA-N -1 1 383.865 1.241 20 0 GDADMM COC[C@@H]([N-]S(=O)(=O)c1cccc(-c2nn[nH]n2)c1Cl)c1ccco1 ZINC001571234874 953206224 /nfs/dbraw/zinc/20/62/24/953206224.db2.gz LFUITDBRXSXWDH-SNVBAGLBSA-N -1 1 383.817 1.779 20 0 GDADMM CC(=O)N1C[C@@H](C)O[C@@]2(CCN(c3nc(-c4nn[n-]n4)c(Cl)s3)C2)C1 ZINC001571234891 953207009 /nfs/dbraw/zinc/20/70/09/953207009.db2.gz LVZKLNUJUZPBNM-XLKFXECMSA-N -1 1 383.865 1.193 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1cncc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001571235043 953208010 /nfs/dbraw/zinc/20/80/10/953208010.db2.gz QVYSJESKQRXKMH-NXEZZACHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1cncc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001571235043 953208015 /nfs/dbraw/zinc/20/80/15/953208015.db2.gz QVYSJESKQRXKMH-NXEZZACHSA-N -1 1 384.366 1.282 20 0 GDADMM O=C([C@H]1CCOC1)N1CCC[C@@H]1CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001571235183 953209781 /nfs/dbraw/zinc/20/97/81/953209781.db2.gz WEYNARDOGNAJRN-DTWKUNHWSA-N -1 1 383.865 1.416 20 0 GDADMM O=C([C@H]1CCOC1)N1CCC[C@@H]1CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001571235183 953209784 /nfs/dbraw/zinc/20/97/84/953209784.db2.gz WEYNARDOGNAJRN-DTWKUNHWSA-N -1 1 383.865 1.416 20 0 GDADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCCN1C(=O)C1=COCCC1 ZINC001571242072 953253368 /nfs/dbraw/zinc/25/33/68/953253368.db2.gz ATQYOEBQWGEDPP-SWLSCSKDSA-N -1 1 384.444 1.533 20 0 GDADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCCN1C(=O)C1=COCCC1 ZINC001571242072 953253371 /nfs/dbraw/zinc/25/33/71/953253371.db2.gz ATQYOEBQWGEDPP-SWLSCSKDSA-N -1 1 384.444 1.533 20 0 GDADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CCN(C(=O)C2=CCOCC2)CC1 ZINC001571243078 953262680 /nfs/dbraw/zinc/26/26/80/953262680.db2.gz VGAZWIXKELQLJV-GFCCVEGCSA-N -1 1 384.444 1.042 20 0 GDADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CCN(C(=O)C2=CCOCC2)CC1 ZINC001571243078 953262684 /nfs/dbraw/zinc/26/26/84/953262684.db2.gz VGAZWIXKELQLJV-GFCCVEGCSA-N -1 1 384.444 1.042 20 0 GDADMM CCc1ccsc1C(=O)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571244735 953266957 /nfs/dbraw/zinc/26/69/57/953266957.db2.gz GWHSVFDFKJWJNX-NSHDSACASA-N -1 1 384.469 1.855 20 0 GDADMM CCc1ccsc1C(=O)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571244735 953266962 /nfs/dbraw/zinc/26/69/62/953266962.db2.gz GWHSVFDFKJWJNX-NSHDSACASA-N -1 1 384.469 1.855 20 0 GDADMM CCc1nc(N[C@@H]2C[C@H](C)N(C(=O)c3ccsc3)C2)cc(-c2nnn[n-]2)n1 ZINC001571244895 953268046 /nfs/dbraw/zinc/26/80/46/953268046.db2.gz LJOAUSLTJKYEIH-CMPLNLGQSA-N -1 1 384.469 1.996 20 0 GDADMM CCc1nc(N[C@@H]2C[C@H](C)N(C(=O)c3ccsc3)C2)cc(-c2nn[n-]n2)n1 ZINC001571244895 953268050 /nfs/dbraw/zinc/26/80/50/953268050.db2.gz LJOAUSLTJKYEIH-CMPLNLGQSA-N -1 1 384.469 1.996 20 0 GDADMM Cc1csc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)[C@H]2C)c1 ZINC001571245166 953270955 /nfs/dbraw/zinc/27/09/55/953270955.db2.gz OWDYNBJRMIFECW-RYUDHWBXSA-N -1 1 384.469 1.814 20 0 GDADMM Cc1csc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)[C@H]2C)c1 ZINC001571245166 953270958 /nfs/dbraw/zinc/27/09/58/953270958.db2.gz OWDYNBJRMIFECW-RYUDHWBXSA-N -1 1 384.469 1.814 20 0 GDADMM CCc1nc(NC[C@H]2C[C@H](NC(=O)c3cccs3)C2)cc(-c2nnn[n-]2)n1 ZINC001571245653 953275449 /nfs/dbraw/zinc/27/54/49/953275449.db2.gz YDTWAQVGBNXTTK-XYPYZODXSA-N -1 1 384.469 1.901 20 0 GDADMM CCc1nc(NC[C@H]2C[C@H](NC(=O)c3cccs3)C2)cc(-c2nn[n-]n2)n1 ZINC001571245653 953275452 /nfs/dbraw/zinc/27/54/52/953275452.db2.gz YDTWAQVGBNXTTK-XYPYZODXSA-N -1 1 384.469 1.901 20 0 GDADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CCN(C(=O)c2ccsc2)CC1 ZINC001571246278 953281399 /nfs/dbraw/zinc/28/13/99/953281399.db2.gz XHZAEPGALQBPNK-LLVKDONJSA-N -1 1 384.469 1.493 20 0 GDADMM Cc1sccc1CC(=O)NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571247952 953288180 /nfs/dbraw/zinc/28/81/80/953288180.db2.gz JIIXXBUBIFODTI-UHFFFAOYSA-N -1 1 384.469 1.354 20 0 GDADMM Cc1sccc1CC(=O)NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571247952 953288182 /nfs/dbraw/zinc/28/81/82/953288182.db2.gz JIIXXBUBIFODTI-UHFFFAOYSA-N -1 1 384.469 1.354 20 0 GDADMM Cc1nsc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H](C)n2cccc2)c1-c1nn[n-]n1 ZINC001571248288 953291500 /nfs/dbraw/zinc/29/15/00/953291500.db2.gz PNGWVMJJZIGNBV-AVGNSLFASA-N -1 1 384.469 1.484 20 0 GDADMM C[C@H]1CCC[C@]1(C)C(=O)N1CCC(N(C)c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571249106 953300096 /nfs/dbraw/zinc/30/00/96/953300096.db2.gz DGTMMSCCNCTLDF-DJJJIMSYSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CCC[C@]1(C)C(=O)N1CCC(N(C)c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571249106 953300100 /nfs/dbraw/zinc/30/01/00/953300100.db2.gz DGTMMSCCNCTLDF-DJJJIMSYSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCC[C@@]1(C)C(=O)N1CCC(N(C)c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571249105 953301015 /nfs/dbraw/zinc/30/10/15/953301015.db2.gz DGTMMSCCNCTLDF-BFUOFWGJSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCC[C@@]1(C)C(=O)N1CCC(N(C)c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571249105 953301019 /nfs/dbraw/zinc/30/10/19/953301019.db2.gz DGTMMSCCNCTLDF-BFUOFWGJSA-N -1 1 384.488 1.910 20 0 GDADMM CC1(C)CC(CC(=O)N[C@@H]2CC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571249676 953307086 /nfs/dbraw/zinc/30/70/86/953307086.db2.gz KJBXZVDQTKAWMC-GXTWGEPZSA-N -1 1 384.488 1.602 20 0 GDADMM CC(C)(C(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)C1CCC1 ZINC001571249911 953308395 /nfs/dbraw/zinc/30/83/95/953308395.db2.gz MMMVZZUYUUUCGT-AWEZNQCLSA-N -1 1 384.488 1.698 20 0 GDADMM CC1(C)CCCC[C@@H]1C(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571250250 953309110 /nfs/dbraw/zinc/30/91/10/953309110.db2.gz PAXKNFGFJSZJFX-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CCCC[C@@H]1C(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571250250 953309115 /nfs/dbraw/zinc/30/91/15/953309115.db2.gz PAXKNFGFJSZJFX-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](C(=O)N(C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C1CCCC1 ZINC001571251046 953314842 /nfs/dbraw/zinc/31/48/42/953314842.db2.gz VHIHHLNLLNRZHS-CYBMUJFWSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](C(=O)N(C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C1CCCC1 ZINC001571251046 953314846 /nfs/dbraw/zinc/31/48/46/953314846.db2.gz VHIHHLNLLNRZHS-CYBMUJFWSA-N -1 1 384.488 1.910 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCN(C(=O)[C@@H]3CCCC3(C)C)CC2)n1 ZINC001571251871 953320506 /nfs/dbraw/zinc/32/05/06/953320506.db2.gz BSOVBCFMDYBKBL-ZDUSSCGKSA-N -1 1 384.488 1.694 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCN(C(=O)[C@@H]3CCCC3(C)C)CC2)n1 ZINC001571251871 953320509 /nfs/dbraw/zinc/32/05/09/953320509.db2.gz BSOVBCFMDYBKBL-ZDUSSCGKSA-N -1 1 384.488 1.694 20 0 GDADMM CN(C[C@H]1CCN(C(=O)C2C(C)(C)C2(C)C)C1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571251860 953320857 /nfs/dbraw/zinc/32/08/57/953320857.db2.gz BOVKPSRTZZFUIC-GFCCVEGCSA-N -1 1 384.488 1.624 20 0 GDADMM CN(C[C@H]1CCN(C(=O)C2C(C)(C)C2(C)C)C1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571251860 953320863 /nfs/dbraw/zinc/32/08/63/953320863.db2.gz BOVKPSRTZZFUIC-GFCCVEGCSA-N -1 1 384.488 1.624 20 0 GDADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCN(C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001571251811 953321051 /nfs/dbraw/zinc/32/10/51/953321051.db2.gz AMIULMFWXMYANJ-KGLIPLIRSA-N -1 1 384.488 1.910 20 0 GDADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCN(C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001571251811 953321055 /nfs/dbraw/zinc/32/10/55/953321055.db2.gz AMIULMFWXMYANJ-KGLIPLIRSA-N -1 1 384.488 1.910 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H]([C@H]3CCCN(C(C)=O)C3)C2)n1 ZINC001571252016 953323176 /nfs/dbraw/zinc/32/31/76/953323176.db2.gz FIIKEYFHPVZVSR-LSDHHAIUSA-N -1 1 384.488 1.694 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H]([C@H]3CCCN(C(C)=O)C3)C2)n1 ZINC001571252016 953323181 /nfs/dbraw/zinc/32/31/81/953323181.db2.gz FIIKEYFHPVZVSR-LSDHHAIUSA-N -1 1 384.488 1.694 20 0 GDADMM O=C(C1=COCCC1)N1CCC[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571252366 953327032 /nfs/dbraw/zinc/32/70/32/953327032.db2.gz ZPDXZQXMOSXJTB-CYBMUJFWSA-N -1 1 384.444 1.392 20 0 GDADMM O=C(C1=COCCC1)N1CCC[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571252366 953327036 /nfs/dbraw/zinc/32/70/36/953327036.db2.gz ZPDXZQXMOSXJTB-CYBMUJFWSA-N -1 1 384.444 1.392 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2CCC(C)(C)CC2)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571252580 953330775 /nfs/dbraw/zinc/33/07/75/953330775.db2.gz QIHKFQQECWPWTR-OCCSQVGLSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2CCC(C)(C)CC2)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571252580 953330779 /nfs/dbraw/zinc/33/07/79/953330779.db2.gz QIHKFQQECWPWTR-OCCSQVGLSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@@H]1CN(C(=O)CC2(C)CCCC2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571252677 953331462 /nfs/dbraw/zinc/33/14/62/953331462.db2.gz TUCZOTZENKWXBW-ZIAGYGMSSA-N -1 1 384.488 1.555 20 0 GDADMM CCN(CC1CCN(C(=O)C2CCCC2)CC1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571252843 953332753 /nfs/dbraw/zinc/33/27/53/953332753.db2.gz WMLPGYUGMNNSRD-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CCN(CC1CCN(C(=O)C2CCCC2)CC1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571252843 953332757 /nfs/dbraw/zinc/33/27/57/953332757.db2.gz WMLPGYUGMNNSRD-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM O=C(Cc1ccc(Cl)cc1)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571254233 953337472 /nfs/dbraw/zinc/33/74/72/953337472.db2.gz AOZXXJJXNYJVDJ-ZDUSSCGKSA-N -1 1 384.831 1.248 20 0 GDADMM O=C(Cc1ccc(Cl)cc1)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571254233 953337474 /nfs/dbraw/zinc/33/74/74/953337474.db2.gz AOZXXJJXNYJVDJ-ZDUSSCGKSA-N -1 1 384.831 1.248 20 0 GDADMM O=C(c1ccccc1Cl)N1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571254639 953341270 /nfs/dbraw/zinc/34/12/70/953341270.db2.gz FNBGQOZLRPUMFX-LLVKDONJSA-N -1 1 384.831 1.884 20 0 GDADMM O=C(c1ccccc1Cl)N1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571254639 953341272 /nfs/dbraw/zinc/34/12/72/953341272.db2.gz FNBGQOZLRPUMFX-LLVKDONJSA-N -1 1 384.831 1.884 20 0 GDADMM Cc1c(Cl)cccc1C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571254654 953341300 /nfs/dbraw/zinc/34/13/00/953341300.db2.gz FSNRWJBGWACXRM-XYPYZODXSA-N -1 1 384.831 1.991 20 0 GDADMM Cc1c(Cl)cccc1C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571254654 953341305 /nfs/dbraw/zinc/34/13/05/953341305.db2.gz FSNRWJBGWACXRM-XYPYZODXSA-N -1 1 384.831 1.991 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571255878 953358336 /nfs/dbraw/zinc/35/83/36/953358336.db2.gz QSKRBIONGMOOPG-YGRLFVJLSA-N -1 1 384.831 1.883 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571255878 953358342 /nfs/dbraw/zinc/35/83/42/953358342.db2.gz QSKRBIONGMOOPG-YGRLFVJLSA-N -1 1 384.831 1.883 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)cc1Cl ZINC001571255947 953360134 /nfs/dbraw/zinc/36/01/34/953360134.db2.gz SCQBARAMEVKKJN-GFCCVEGCSA-N -1 1 384.831 1.945 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)cc1Cl ZINC001571255947 953360141 /nfs/dbraw/zinc/36/01/41/953360141.db2.gz SCQBARAMEVKKJN-GFCCVEGCSA-N -1 1 384.831 1.945 20 0 GDADMM O=C([O-])c1ncccc1NC(=O)NCCN1CCN(Cc2ccccc2)CC1 ZINC001594757953 953478982 /nfs/dbraw/zinc/47/89/82/953478982.db2.gz GKTKEVFFVMMBQJ-UHFFFAOYSA-N -1 1 383.452 1.719 20 0 GDADMM CC(C)C[C@H](CNC(=O)NCc1n[nH]c(COc2ccccc2)n1)C(=O)[O-] ZINC000424443519 953486360 /nfs/dbraw/zinc/48/63/60/953486360.db2.gz BEZXBGSTEUVCFM-CYBMUJFWSA-N -1 1 375.429 1.930 20 0 GDADMM C[C@@H]1CCC[C@H](NC(=O)CN2CCN(CC3(O)CCC(C(=O)[O-])CC3)CC2)C1 ZINC001589315972 953837459 /nfs/dbraw/zinc/83/74/59/953837459.db2.gz UPHZVLFXGTYDPN-RAJLDSNDSA-N -1 1 395.544 1.305 20 0 GDADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655580651 954219731 /nfs/dbraw/zinc/21/97/31/954219731.db2.gz QGEUPKPJYKQXTF-AUZPSNTRSA-N -1 1 386.452 1.933 20 0 GDADMM CN(CC(=O)Nc1ccc2c(c1)OCCO2)CC1(O)CCC(C(=O)[O-])CC1 ZINC001593719246 954241098 /nfs/dbraw/zinc/24/10/98/954241098.db2.gz QOCJFRPVOKWKPF-UHFFFAOYSA-N -1 1 378.425 1.334 20 0 GDADMM C[C@H](CNC(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1)C(=O)[O-] ZINC000655867936 954254078 /nfs/dbraw/zinc/25/40/78/954254078.db2.gz NFLWRMMCHKVIGD-CQSZACIVSA-N -1 1 382.892 1.872 20 0 GDADMM O=C([O-])C1(CNC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CCC1 ZINC000659420285 954344473 /nfs/dbraw/zinc/34/44/73/954344473.db2.gz CKMVWQMVYBIVJM-SJORKVTESA-N -1 1 375.469 1.424 20 0 GDADMM C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000662225250 954395382 /nfs/dbraw/zinc/39/53/82/954395382.db2.gz 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376.457 1.687 20 0 GDADMM C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)N1CCN(CC(=O)[O-])CC1 ZINC001589339638 986237103 /nfs/dbraw/zinc/23/71/03/986237103.db2.gz FRNCJUQLBWTKHS-CQSZACIVSA-N -1 1 383.876 1.268 20 0 GDADMM CCOc1cc(C(=O)[O-])ccc1NC(=O)C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC001597011327 986356906 /nfs/dbraw/zinc/35/69/06/986356906.db2.gz RUHXKBCEYWXUHC-AWEZNQCLSA-N -1 1 375.425 1.417 20 0 GDADMM C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC(O)(C(=O)[O-])CC1 ZINC001589374716 986429611 /nfs/dbraw/zinc/42/96/11/986429611.db2.gz PPLFOAMRKSDMHP-XUXNNNHQSA-N -1 1 393.484 1.081 20 0 GDADMM C[C@H]1CN2CCN1C[C@H]2C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC001594584606 986465086 /nfs/dbraw/zinc/46/50/86/986465086.db2.gz JYEDIAHBKJGCLL-GWCFXTLKSA-N -1 1 387.358 1.653 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCOc2ccccc21)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001589398325 986550284 /nfs/dbraw/zinc/55/02/84/986550284.db2.gz MYWXKRDSKUKMCH-CJNGLKHVSA-N -1 1 399.451 1.642 20 0 GDADMM 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/nfs/dbraw/zinc/17/18/62/532171862.db2.gz TUOKWUQNUUOFDP-OQPBUACISA-N -1 1 376.837 1.938 20 0 GDADMM CNC(=O)[C@@H](NC(=O)c1ccc(I)c([O-])c1)C(C)C ZINC000428122866 532198597 /nfs/dbraw/zinc/19/85/97/532198597.db2.gz CRVAWWLFDMUEPK-NSHDSACASA-N -1 1 376.194 1.497 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(I)c([O-])c2)CCN1CCO ZINC000428531714 532209623 /nfs/dbraw/zinc/20/96/23/532209623.db2.gz ZOYLSMHTOLWOCK-SNVBAGLBSA-N -1 1 390.221 1.135 20 0 GDADMM CCn1nccc1S(=O)(=O)[N-]c1cc(S(=O)(=O)N(C)C)ccc1F ZINC000274513579 532215110 /nfs/dbraw/zinc/21/51/10/532215110.db2.gz NGPYXZSYWDFRTF-UHFFFAOYSA-N -1 1 376.435 1.093 20 0 GDADMM COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000274537018 532215801 /nfs/dbraw/zinc/21/58/01/532215801.db2.gz JUKQWTAPNODCTE-UHFFFAOYSA-N -1 1 384.907 1.680 20 0 GDADMM COC(=O)[C@@H]([N-]S(=O)(=O)CCOC(C)C)c1ccc(OC)c(Cl)c1 ZINC000274540773 532217051 /nfs/dbraw/zinc/21/70/51/532217051.db2.gz DSIXGZTYGBVKPT-AWEZNQCLSA-N -1 1 379.862 1.907 20 0 GDADMM CN1CCO[C@@H](C[N-]S(=O)(=O)c2cc(Br)sc2Cl)C1 ZINC000333428891 532234870 /nfs/dbraw/zinc/23/48/70/532234870.db2.gz JRUJSMVZSNUBSY-ZETCQYMHSA-N -1 1 389.724 1.773 20 0 GDADMM O=C([O-])[C@H]1[C@H]2CCC[N@H+]2CCN1S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000377159197 532245588 /nfs/dbraw/zinc/24/55/88/532245588.db2.gz WBDXXOLXEHCKRA-ZIAGYGMSSA-N -1 1 376.837 1.542 20 0 GDADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCS(=O)(=O)[C@H]2COCC[C@@H]21 ZINC000333705255 532245986 /nfs/dbraw/zinc/24/59/86/532245986.db2.gz FNDMPGGIGPRRAB-AAEUAGOBSA-N -1 1 379.356 1.439 20 0 GDADMM Cc1ccc(S(=O)(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])cc1C(F)(F)F ZINC000274979325 532249074 /nfs/dbraw/zinc/24/90/74/532249074.db2.gz XOEPKZFSLUIGON-GFCCVEGCSA-N -1 1 377.344 1.711 20 0 GDADMM C[C@H]1Cc2cc(S(=O)(=O)N[C@H](Cc3cnc[nH]3)C(=O)[O-])cc(Cl)c2O1 ZINC000274988004 532250452 /nfs/dbraw/zinc/25/04/52/532250452.db2.gz YRYUUQMWJIXHPI-ISVAXAHUSA-N -1 1 385.829 1.361 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc(I)ccc1F)c1nn[n-]n1 ZINC000274830322 532236262 /nfs/dbraw/zinc/23/62/62/532236262.db2.gz ZGPJSPSPTMHUIF-ZETCQYMHSA-N -1 1 389.172 1.819 20 0 GDADMM O=C([O-])CCC[NH+]1CCC([N-]S(=O)(=O)c2cc(F)c(F)cc2F)CC1 ZINC000275023371 532254215 /nfs/dbraw/zinc/25/42/15/532254215.db2.gz SDHFEXSFDSOZBO-UHFFFAOYSA-N -1 1 380.388 1.711 20 0 GDADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H](C)c2ncc(Br)cn2)c1 ZINC000431632646 532272178 /nfs/dbraw/zinc/27/21/78/532272178.db2.gz HWONPVYQVOYLRL-SSDOTTSWSA-N -1 1 390.215 1.658 20 0 GDADMM CC[C@H]1[C@@H](C)CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(C)cn1 ZINC000349450331 532285937 /nfs/dbraw/zinc/28/59/37/532285937.db2.gz ADDMWTXWPWFJPI-GJZGRUSLSA-N -1 1 389.543 1.972 20 0 GDADMM CC[C@@H]1[C@@H](C)CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(C)n1 ZINC000349452121 532286414 /nfs/dbraw/zinc/28/64/14/532286414.db2.gz CVSMKXFKTZLRMS-DZGCQCFKSA-N -1 1 389.543 1.972 20 0 GDADMM O=S(=O)(CCCS(=O)(=O)N1CC2(CC2(F)F)C1)[N-]c1ccc(F)cn1 ZINC000349453179 532287255 /nfs/dbraw/zinc/28/72/55/532287255.db2.gz FFFHUFAWHHOEOQ-UHFFFAOYSA-N -1 1 399.416 1.023 20 0 GDADMM CCC(=O)C[N-]S(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl ZINC000275501013 532297781 /nfs/dbraw/zinc/29/77/81/532297781.db2.gz ZLLBFLWJABXEJE-UHFFFAOYSA-N -1 1 397.634 1.794 20 0 GDADMM CC[C@@H]1[C@@H](C)CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(F)cn1 ZINC000349456432 532290031 /nfs/dbraw/zinc/29/00/31/532290031.db2.gz JBFOWLTYMRYXHO-GXTWGEPZSA-N -1 1 393.506 1.803 20 0 GDADMM CCN(C(=O)CSc1nc(C(F)F)cc(=O)[n-]1)[C@H]1CCS(=O)(=O)C1 ZINC000289592675 532328729 /nfs/dbraw/zinc/32/87/29/532328729.db2.gz SGNLXZNAOHHNJX-QMMMGPOBSA-N -1 1 381.426 1.248 20 0 GDADMM COC(=O)c1cc(Br)c(S(=O)(=O)N[C@H](C)CC(=O)[O-])s1 ZINC000289672502 532330442 /nfs/dbraw/zinc/33/04/42/532330442.db2.gz KZVLJVWVPTWNFM-RXMQYKEDSA-N -1 1 386.245 1.439 20 0 GDADMM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cccc1-n1cnnn1 ZINC000016100938 207072759 /nfs/dbraw/zinc/07/27/59/207072759.db2.gz BJLHZDMFSYRHMG-UHFFFAOYSA-N -1 1 387.421 1.933 20 0 GDADMM NS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000016101312 221357492 /nfs/dbraw/zinc/35/74/92/221357492.db2.gz PJRBHAJPFNTIQF-UHFFFAOYSA-N -1 1 391.268 1.897 20 0 GDADMM CN1C[C@H](C(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)CC1=O ZINC000736846404 598836021 /nfs/dbraw/zinc/83/60/21/598836021.db2.gz PUNJYQXQUIRRBG-CYBMUJFWSA-N -1 1 382.449 1.690 20 0 GDADMM Cn1cc([C@@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cn1 ZINC000737603247 598867662 /nfs/dbraw/zinc/86/76/62/598867662.db2.gz CLKGPABYLCHSLK-LBPRGKRZSA-N -1 1 393.860 1.779 20 0 GDADMM Cn1cc([C@@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cn1 ZINC000737603247 598867664 /nfs/dbraw/zinc/86/76/64/598867664.db2.gz CLKGPABYLCHSLK-LBPRGKRZSA-N -1 1 393.860 1.779 20 0 GDADMM CC(C)C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000735684396 598873496 /nfs/dbraw/zinc/87/34/96/598873496.db2.gz LEZIPNGACDXJIJ-UHFFFAOYSA-N -1 1 398.876 1.009 20 0 GDADMM CC(C)C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000735684396 598873497 /nfs/dbraw/zinc/87/34/97/598873497.db2.gz LEZIPNGACDXJIJ-UHFFFAOYSA-N -1 1 398.876 1.009 20 0 GDADMM COC[C@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C1 ZINC000736974084 598877213 /nfs/dbraw/zinc/87/72/13/598877213.db2.gz WNKSVQMZUGGRIG-VIFPVBQESA-N -1 1 391.375 1.543 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCN2CCCC[C@H]2C1 ZINC000738354028 598874447 /nfs/dbraw/zinc/87/44/47/598874447.db2.gz GQCANIAYHYVFRC-NSHDSACASA-N -1 1 382.877 1.379 20 0 GDADMM CCNC(=O)[C@@H](C)NC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000736575203 598889370 /nfs/dbraw/zinc/88/93/70/598889370.db2.gz YZTABBDGENHAFQ-LLVKDONJSA-N -1 1 399.480 1.919 20 0 GDADMM O=C(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)N[C@H]1CCCNC1=O ZINC000738112777 598907623 /nfs/dbraw/zinc/90/76/23/598907623.db2.gz SBODWXINDIDMIQ-ZDUSSCGKSA-N -1 1 397.464 1.673 20 0 GDADMM Cc1ccc(OCc2cccc(C(=O)n3ncc(-c4nn[n-]n4)c3N)c2)cn1 ZINC000737365332 598922658 /nfs/dbraw/zinc/92/26/58/598922658.db2.gz IHWKRWGZPFAIAU-UHFFFAOYSA-N -1 1 376.380 1.616 20 0 GDADMM Cc1csc(N2CCN(c3c4ccccc4nnc3-c3nnn[n-]3)CC2)n1 ZINC000737451939 598937097 /nfs/dbraw/zinc/93/70/97/598937097.db2.gz HJGHLQPJIWSMGV-UHFFFAOYSA-N -1 1 379.453 1.901 20 0 GDADMM Cc1csc(N2CCN(c3c4ccccc4nnc3-c3nn[n-]n3)CC2)n1 ZINC000737451939 598937098 /nfs/dbraw/zinc/93/70/98/598937098.db2.gz HJGHLQPJIWSMGV-UHFFFAOYSA-N -1 1 379.453 1.901 20 0 GDADMM CC(C)CNC(=O)C1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000735835163 598957591 /nfs/dbraw/zinc/95/75/91/598957591.db2.gz FGLDOLSKLONRKB-UHFFFAOYSA-N -1 1 380.456 1.799 20 0 GDADMM CC(C)CNC(=O)C1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000735835163 598957594 /nfs/dbraw/zinc/95/75/94/598957594.db2.gz FGLDOLSKLONRKB-UHFFFAOYSA-N -1 1 380.456 1.799 20 0 GDADMM Cc1oc(NC(=O)COC(=O)CC2(O)CCCCC2)c(-c2nn[n-]n2)c1C ZINC000737552887 598964483 /nfs/dbraw/zinc/96/44/83/598964483.db2.gz RTSBVJNCTNNXFB-UHFFFAOYSA-N -1 1 377.401 1.644 20 0 GDADMM Cc1c([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cccc1-c1nn[nH]n1 ZINC000822130599 607255260 /nfs/dbraw/zinc/25/52/60/607255260.db2.gz WZWOSGOVJLGAMC-UHFFFAOYSA-N -1 1 393.450 1.379 20 0 GDADMM CCC[C@H](C(=O)OCC)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000736417686 598981409 /nfs/dbraw/zinc/98/14/09/598981409.db2.gz UTCZMMCFTDCYIX-CYBMUJFWSA-N -1 1 389.460 1.586 20 0 GDADMM Cc1ccc([C@H](CNC(=O)c2ccc(-c3nnn[n-]3)nc2)N2CCOCC2)cc1 ZINC000737321292 598996058 /nfs/dbraw/zinc/99/60/58/598996058.db2.gz SLOZXQUAINLKNG-SFHVURJKSA-N -1 1 393.451 1.373 20 0 GDADMM Cc1ccc([C@H](CNC(=O)c2ccc(-c3nn[n-]n3)nc2)N2CCOCC2)cc1 ZINC000737321292 598996060 /nfs/dbraw/zinc/99/60/60/598996060.db2.gz SLOZXQUAINLKNG-SFHVURJKSA-N -1 1 393.451 1.373 20 0 GDADMM CN(C(=O)c1ccc(-c2nnn[n-]2)nc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000736750183 599001694 /nfs/dbraw/zinc/00/16/94/599001694.db2.gz VWSVZZTWDUKSKI-UHFFFAOYSA-N -1 1 391.435 1.639 20 0 GDADMM CN(C(=O)c1ccc(-c2nn[n-]n2)nc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000736750183 599001696 /nfs/dbraw/zinc/00/16/96/599001696.db2.gz VWSVZZTWDUKSKI-UHFFFAOYSA-N -1 1 391.435 1.639 20 0 GDADMM Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737356402 599004733 /nfs/dbraw/zinc/00/47/33/599004733.db2.gz OYVLZNUQEKSJHV-HNNXBMFYSA-N -1 1 395.448 1.724 20 0 GDADMM Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737356402 599004734 /nfs/dbraw/zinc/00/47/34/599004734.db2.gz OYVLZNUQEKSJHV-HNNXBMFYSA-N -1 1 395.448 1.724 20 0 GDADMM Cc1nc(COc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)cc2)no1 ZINC000737476428 599005022 /nfs/dbraw/zinc/00/50/22/599005022.db2.gz DKQDXZZFCWHDEY-UHFFFAOYSA-N -1 1 378.352 1.784 20 0 GDADMM Cc1nc(COc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)cc2)no1 ZINC000737476428 599005024 /nfs/dbraw/zinc/00/50/24/599005024.db2.gz DKQDXZZFCWHDEY-UHFFFAOYSA-N -1 1 378.352 1.784 20 0 GDADMM Cn1cnnc1Sc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737618718 599021639 /nfs/dbraw/zinc/02/16/39/599021639.db2.gz KIKIPYUEDZMKMS-UHFFFAOYSA-N -1 1 379.409 1.794 20 0 GDADMM Cn1cnnc1Sc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737618718 599021640 /nfs/dbraw/zinc/02/16/40/599021640.db2.gz KIKIPYUEDZMKMS-UHFFFAOYSA-N -1 1 379.409 1.794 20 0 GDADMM CCCCCCN(CCN1CCOCC1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736448713 599025311 /nfs/dbraw/zinc/02/53/11/599025311.db2.gz OYDGIFXXUVRZAJ-UHFFFAOYSA-N -1 1 387.488 1.616 20 0 GDADMM CCCCCCN(CCN1CCOCC1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736448713 599025312 /nfs/dbraw/zinc/02/53/12/599025312.db2.gz OYDGIFXXUVRZAJ-UHFFFAOYSA-N -1 1 387.488 1.616 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC[C@@H]1CCC[C@H](O)C1 ZINC000737487434 599100818 /nfs/dbraw/zinc/10/08/18/599100818.db2.gz IWJHBJBGBYJLPS-KGLIPLIRSA-N -1 1 398.471 1.126 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC[C@@H]1CCC[C@H](O)C1 ZINC000737487434 599100819 /nfs/dbraw/zinc/10/08/19/599100819.db2.gz IWJHBJBGBYJLPS-KGLIPLIRSA-N -1 1 398.471 1.126 20 0 GDADMM O=C1N[C@@H](c2cnc3c(-c4nnn[n-]4)cnn3c2)Nc2c3ccccc3sc21 ZINC000823541550 599120030 /nfs/dbraw/zinc/12/00/30/599120030.db2.gz QJRWTGYCEXALLO-AWEZNQCLSA-N -1 1 389.404 1.978 20 0 GDADMM O=C1N[C@@H](c2cnc3c(-c4nn[n-]n4)cnn3c2)Nc2c3ccccc3sc21 ZINC000823541550 599120032 /nfs/dbraw/zinc/12/00/32/599120032.db2.gz QJRWTGYCEXALLO-AWEZNQCLSA-N -1 1 389.404 1.978 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H](CC(C)(C)C)c2ccccc2)n(C)c1=O ZINC000737594781 599120473 /nfs/dbraw/zinc/12/04/73/599120473.db2.gz AFZDMPVZXCFFOF-CYBMUJFWSA-N -1 1 383.456 1.854 20 0 GDADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CCOc2ccc(SC)cc2)c1 ZINC000821667179 599125206 /nfs/dbraw/zinc/12/52/06/599125206.db2.gz YKZKQTISTGRUGQ-UHFFFAOYSA-N -1 1 387.421 1.616 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)NCCc1ccc(F)cc1 ZINC000736159977 599136036 /nfs/dbraw/zinc/13/60/36/599136036.db2.gz ZLPLZNNADOOODO-NSHDSACASA-N -1 1 384.371 1.305 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)NCCc1ccc(F)cc1 ZINC000736159977 599136037 /nfs/dbraw/zinc/13/60/37/599136037.db2.gz ZLPLZNNADOOODO-NSHDSACASA-N -1 1 384.371 1.305 20 0 GDADMM CCOCc1ccccc1CNC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736626515 599135048 /nfs/dbraw/zinc/13/50/48/599135048.db2.gz RARUVVHXDJPDSI-UHFFFAOYSA-N -1 1 396.407 1.271 20 0 GDADMM CCOCc1ccccc1CNC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736626515 599135049 /nfs/dbraw/zinc/13/50/49/599135049.db2.gz RARUVVHXDJPDSI-UHFFFAOYSA-N -1 1 396.407 1.271 20 0 GDADMM COc1ccc(-c2nnc(COC(=O)c3ccc(-c4nnn[n-]4)nc3)o2)cc1 ZINC000737055843 599141528 /nfs/dbraw/zinc/14/15/28/599141528.db2.gz ILELGPCKKMMBNP-UHFFFAOYSA-N -1 1 379.336 1.677 20 0 GDADMM COc1ccc(-c2nnc(COC(=O)c3ccc(-c4nn[n-]n4)nc3)o2)cc1 ZINC000737055843 599141530 /nfs/dbraw/zinc/14/15/30/599141530.db2.gz ILELGPCKKMMBNP-UHFFFAOYSA-N -1 1 379.336 1.677 20 0 GDADMM C[C@@H]1CCCC[C@H]1OCCNC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736273833 599142771 /nfs/dbraw/zinc/14/27/71/599142771.db2.gz SCRMBAAXOHXJKC-IUODEOHRSA-N -1 1 388.428 1.130 20 0 GDADMM C[C@@H]1CCCC[C@H]1OCCNC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736273833 599142772 /nfs/dbraw/zinc/14/27/72/599142772.db2.gz SCRMBAAXOHXJKC-IUODEOHRSA-N -1 1 388.428 1.130 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)Nc1ccc2c(c1)OCCCO2 ZINC000737907388 599144507 /nfs/dbraw/zinc/14/45/07/599144507.db2.gz CUGUFRFOEOVETD-UHFFFAOYSA-N -1 1 396.363 1.219 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)Nc1ccc2c(c1)OCCCO2 ZINC000737907388 599144510 /nfs/dbraw/zinc/14/45/10/599144510.db2.gz CUGUFRFOEOVETD-UHFFFAOYSA-N -1 1 396.363 1.219 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000737548187 599164945 /nfs/dbraw/zinc/16/49/45/599164945.db2.gz ODQUZHGGAZTPIO-CYBMUJFWSA-N -1 1 392.423 1.922 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000737548187 599164948 /nfs/dbraw/zinc/16/49/48/599164948.db2.gz ODQUZHGGAZTPIO-CYBMUJFWSA-N -1 1 392.423 1.922 20 0 GDADMM CCC(CC)(NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)C(=O)OC ZINC000820887969 599199450 /nfs/dbraw/zinc/19/94/50/599199450.db2.gz ZPFUDFIPJKARPS-UHFFFAOYSA-N -1 1 390.444 1.365 20 0 GDADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CSc3cccs3)CC2)o1 ZINC000737467430 599222913 /nfs/dbraw/zinc/22/29/13/599222913.db2.gz OMHBUSNQEOVRGM-UHFFFAOYSA-N -1 1 391.482 1.666 20 0 GDADMM C[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N1CCC(C(=O)[O-])CC1 ZINC000738625970 596923883 /nfs/dbraw/zinc/92/38/83/596923883.db2.gz RTCWVKCWIPUJKJ-VIFPVBQESA-N -1 1 387.358 1.344 20 0 GDADMM CCc1ccc(NS(=O)(=O)c2cc(C(=O)NCC(=O)[O-])ccc2OC)cc1 ZINC000485530830 597022765 /nfs/dbraw/zinc/02/27/65/597022765.db2.gz LTTSTGBIBJCDLI-UHFFFAOYSA-N -1 1 392.433 1.873 20 0 GDADMM O=C([C@H]1Cc2ccccc21)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000737790149 599239450 /nfs/dbraw/zinc/23/94/50/599239450.db2.gz FHWRHOZMZKKDBC-HNNXBMFYSA-N -1 1 391.435 1.721 20 0 GDADMM Cc1cc(C)c(NC(=O)CNC(=O)CN2CCC[C@H](CC(=O)[O-])C2)c(C)c1 ZINC000533203584 597071238 /nfs/dbraw/zinc/07/12/38/597071238.db2.gz ZOUYFMFEEGNGHU-MRXNPFEDSA-N -1 1 375.469 1.853 20 0 GDADMM O=C([O-])C[C@@H]1CCCN(C(=O)CCn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000769528657 597091632 /nfs/dbraw/zinc/09/16/32/597091632.db2.gz WALGYAXSEJIEDL-LBPRGKRZSA-N -1 1 375.450 1.789 20 0 GDADMM O=C([O-])Cc1cccc(NC(=O)NC[C@H](O)CN2CCc3ccccc3C2)c1 ZINC000738625371 597187433 /nfs/dbraw/zinc/18/74/33/597187433.db2.gz ZETXJHVWBJSHHH-IBGZPJMESA-N -1 1 383.448 1.854 20 0 GDADMM CCOC(=O)c1sc(NC(=O)CN2CCN(C)[C@H](C)C2)c(C(=O)[O-])c1C ZINC000820373793 597461170 /nfs/dbraw/zinc/46/11/70/597461170.db2.gz HNEKWLVYULIKSA-SNVBAGLBSA-N -1 1 383.470 1.506 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)Nc2cccc(-c3nc[nH]n3)c2)cc1-c1nn[n-]n1 ZINC000737185641 599276328 /nfs/dbraw/zinc/27/63/28/599276328.db2.gz ACRPWWBPSCYJRS-UHFFFAOYSA-N -1 1 395.408 1.727 20 0 GDADMM CCCn1cnnc1COC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000821147867 607323308 /nfs/dbraw/zinc/32/33/08/607323308.db2.gz KIBVDKMOOAFBDJ-UHFFFAOYSA-N -1 1 382.384 1.917 20 0 GDADMM CCCn1cnnc1COC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000821147867 607323309 /nfs/dbraw/zinc/32/33/09/607323309.db2.gz KIBVDKMOOAFBDJ-UHFFFAOYSA-N -1 1 382.384 1.917 20 0 GDADMM C[NH+](C)CCN(CC(=O)[O-])C(=O)c1cc(I)ccc1[O-] ZINC000234239066 598153801 /nfs/dbraw/zinc/15/38/01/598153801.db2.gz IVDQNUVKKOROTA-UHFFFAOYSA-N -1 1 392.193 1.085 20 0 GDADMM CN(CCO)S(=O)(=O)c1ccccc1CNCc1cccc(C(=O)[O-])c1 ZINC000263437521 598203501 /nfs/dbraw/zinc/20/35/01/598203501.db2.gz VDYXOMAKNJGGKS-UHFFFAOYSA-N -1 1 378.450 1.287 20 0 GDADMM COc1ccc(CN(C2CC2)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737091141 598261350 /nfs/dbraw/zinc/26/13/50/598261350.db2.gz PUSHOPHLTOEWNX-UHFFFAOYSA-N -1 1 386.437 1.624 20 0 GDADMM COc1ccc(CN(C2CC2)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737091141 598261351 /nfs/dbraw/zinc/26/13/51/598261351.db2.gz PUSHOPHLTOEWNX-UHFFFAOYSA-N -1 1 386.437 1.624 20 0 GDADMM COCCN(Cc1cccs1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737006840 598262666 /nfs/dbraw/zinc/26/26/66/598262666.db2.gz JXHGFENSNSBZJM-UHFFFAOYSA-N -1 1 380.455 1.161 20 0 GDADMM COCCN(Cc1cccs1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737006840 598262668 /nfs/dbraw/zinc/26/26/68/598262668.db2.gz JXHGFENSNSBZJM-UHFFFAOYSA-N -1 1 380.455 1.161 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N(Cc1ccco1)Cc1cccnc1 ZINC000738356034 598263112 /nfs/dbraw/zinc/26/31/12/598263112.db2.gz VMQULGFVSKIWEO-UHFFFAOYSA-N -1 1 397.420 1.641 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N(Cc1ccco1)Cc1cccnc1 ZINC000738356034 598263114 /nfs/dbraw/zinc/26/31/14/598263114.db2.gz VMQULGFVSKIWEO-UHFFFAOYSA-N -1 1 397.420 1.641 20 0 GDADMM O=S(=O)(Oc1cccc(Oc2ncccn2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738346947 598273276 /nfs/dbraw/zinc/27/32/76/598273276.db2.gz ANMPBRVZVIEINZ-UHFFFAOYSA-N -1 1 397.376 1.612 20 0 GDADMM O=S(=O)(Oc1cccc(Oc2ncccn2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738346947 598273278 /nfs/dbraw/zinc/27/32/78/598273278.db2.gz ANMPBRVZVIEINZ-UHFFFAOYSA-N -1 1 397.376 1.612 20 0 GDADMM Nc1n[nH]c(CCCNC(=O)Nc2ccc3scnc3c2)c1-c1nnn[n-]1 ZINC000737776926 598292981 /nfs/dbraw/zinc/29/29/81/598292981.db2.gz UBFOBYIWZXXDEI-UHFFFAOYSA-N -1 1 384.429 1.536 20 0 GDADMM Nc1n[nH]c(CCCNC(=O)Nc2ccc3scnc3c2)c1-c1nn[n-]n1 ZINC000737776926 598292983 /nfs/dbraw/zinc/29/29/83/598292983.db2.gz UBFOBYIWZXXDEI-UHFFFAOYSA-N -1 1 384.429 1.536 20 0 GDADMM Cc1oc(NC(=O)CN(C)CC(=O)Nc2cc(C)ccn2)c(-c2nn[n-]n2)c1C ZINC000737437175 598312807 /nfs/dbraw/zinc/31/28/07/598312807.db2.gz MEKGCXQSIOUMPI-UHFFFAOYSA-N -1 1 398.427 1.289 20 0 GDADMM C[C@H](C(=O)Nc1cccc(Nc2nccnc2-c2nnn[n-]2)c1)n1cccn1 ZINC000735563206 598342097 /nfs/dbraw/zinc/34/20/97/598342097.db2.gz RPZJVJUTGJAFGZ-LLVKDONJSA-N -1 1 376.384 1.797 20 0 GDADMM C[C@H](C(=O)Nc1cccc(Nc2nccnc2-c2nn[n-]n2)c1)n1cccn1 ZINC000735563206 598342099 /nfs/dbraw/zinc/34/20/99/598342099.db2.gz RPZJVJUTGJAFGZ-LLVKDONJSA-N -1 1 376.384 1.797 20 0 GDADMM c1ccc(-c2noc(C3CCN(c4nccnc4-c4nnn[n-]4)CC3)n2)nc1 ZINC000738424152 598355705 /nfs/dbraw/zinc/35/57/05/598355705.db2.gz BMHKEMYWNGWKDN-UHFFFAOYSA-N -1 1 376.384 1.486 20 0 GDADMM c1ccc(-c2noc(C3CCN(c4nccnc4-c4nn[n-]n4)CC3)n2)nc1 ZINC000738424152 598355707 /nfs/dbraw/zinc/35/57/07/598355707.db2.gz BMHKEMYWNGWKDN-UHFFFAOYSA-N -1 1 376.384 1.486 20 0 GDADMM CCc1nn(CC(=O)NCc2ccc(C)cc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706101 598377818 /nfs/dbraw/zinc/37/78/18/598377818.db2.gz SZAUOCNKLPNRJE-UHFFFAOYSA-N -1 1 381.440 1.173 20 0 GDADMM CCc1nn(CC(=O)c2ccc(OC)c(OC)c2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706461 598379580 /nfs/dbraw/zinc/37/95/80/598379580.db2.gz WTRUKOAGCZCKRE-UHFFFAOYSA-N -1 1 398.423 1.448 20 0 GDADMM Clc1ccccc1[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N1CCOCC1 ZINC000737584392 598385476 /nfs/dbraw/zinc/38/54/76/598385476.db2.gz PSTODETWFFRIQU-OAHLLOKOSA-N -1 1 386.847 1.796 20 0 GDADMM Clc1ccccc1[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N1CCOCC1 ZINC000737584392 598385478 /nfs/dbraw/zinc/38/54/78/598385478.db2.gz PSTODETWFFRIQU-OAHLLOKOSA-N -1 1 386.847 1.796 20 0 GDADMM NC(=O)[C@H]1CCN(C(=O)c2ccc(Oc3cccc(F)c3-c3nnn[n-]3)cc2)C1 ZINC000737742021 598400886 /nfs/dbraw/zinc/40/08/86/598400886.db2.gz DQTWZVJLQJWRRT-LBPRGKRZSA-N -1 1 396.382 1.746 20 0 GDADMM NC(=O)[C@H]1CCN(C(=O)c2ccc(Oc3cccc(F)c3-c3nn[n-]n3)cc2)C1 ZINC000737742021 598400887 /nfs/dbraw/zinc/40/08/87/598400887.db2.gz DQTWZVJLQJWRRT-LBPRGKRZSA-N -1 1 396.382 1.746 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CCOC3(CCSCC3)C2)n1 ZINC000822613274 607356244 /nfs/dbraw/zinc/35/62/44/607356244.db2.gz CLOIHQTXARXMCO-SNVBAGLBSA-N -1 1 378.462 1.167 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CCOC3(CCSCC3)C2)n1 ZINC000822613274 607356247 /nfs/dbraw/zinc/35/62/47/607356247.db2.gz CLOIHQTXARXMCO-SNVBAGLBSA-N -1 1 378.462 1.167 20 0 GDADMM O=S(=O)(NCCc1nc2c(s1)CCCC2)c1ccc(-c2nnn[n-]2)nc1 ZINC000738338004 598497769 /nfs/dbraw/zinc/49/77/69/598497769.db2.gz ITZYOQUKFNEHIV-UHFFFAOYSA-N -1 1 391.482 1.118 20 0 GDADMM O=S(=O)(NCCc1nc2c(s1)CCCC2)c1ccc(-c2nn[n-]n2)nc1 ZINC000738338004 598497770 /nfs/dbraw/zinc/49/77/70/598497770.db2.gz ITZYOQUKFNEHIV-UHFFFAOYSA-N -1 1 391.482 1.118 20 0 GDADMM O=C1CSc2ccc([N-]S(=O)(=O)c3cccc(-c4nn[nH]n4)c3)cc2N1 ZINC000738307535 598513943 /nfs/dbraw/zinc/51/39/43/598513943.db2.gz SRJQTFZLWPZAGT-UHFFFAOYSA-N -1 1 388.434 1.712 20 0 GDADMM COc1ccc(C2=NC(=Cc3cnc4c(-c5nnn[n-]5)cnn4c3)C(=O)O2)cc1 ZINC000737076266 598567063 /nfs/dbraw/zinc/56/70/63/598567063.db2.gz NVNVUWMBSRVJAD-NSIKDUERSA-N -1 1 388.347 1.263 20 0 GDADMM COc1ccc(C2=NC(=Cc3cnc4c(-c5nn[n-]n5)cnn4c3)C(=O)O2)cc1 ZINC000737076266 598567064 /nfs/dbraw/zinc/56/70/64/598567064.db2.gz NVNVUWMBSRVJAD-NSIKDUERSA-N -1 1 388.347 1.263 20 0 GDADMM COc1ccc(-c2noc(CCc3c(C)[nH]c(=O)c(-c4nn[n-]n4)c3C)n2)cn1 ZINC000737062188 598611115 /nfs/dbraw/zinc/61/11/15/598611115.db2.gz IVWDWCLWOJVZCO-UHFFFAOYSA-N -1 1 394.395 1.823 20 0 GDADMM CCc1nn(Cc2cc(F)cc3c2OCOC3)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736708597 598640330 /nfs/dbraw/zinc/64/03/30/598640330.db2.gz YGQWWVHQIAEAAV-UHFFFAOYSA-N -1 1 386.387 1.602 20 0 GDADMM O=c1ccc2ccc(OS(=O)(=O)c3ccc(F)c(-c4nn[n-]n4)c3)cc2o1 ZINC000738380611 598687539 /nfs/dbraw/zinc/68/75/39/598687539.db2.gz PGEQLBUYYBXDHM-UHFFFAOYSA-N -1 1 388.336 1.880 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000738352963 598687816 /nfs/dbraw/zinc/68/78/16/598687816.db2.gz DTFMUORYWVSSEV-MRVPVSSYSA-N -1 1 379.339 1.969 20 0 GDADMM COc1ccc2c(c1)CN(S(=O)(=O)c1ccc(F)c(-c3nn[n-]n3)c1)CC2 ZINC000737119690 598692120 /nfs/dbraw/zinc/69/21/20/598692120.db2.gz SJWMFJACPGPLEQ-UHFFFAOYSA-N -1 1 389.412 1.761 20 0 GDADMM CCc1nnc([C@H](C)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)o1 ZINC000736707709 598699986 /nfs/dbraw/zinc/69/99/86/598699986.db2.gz RVXZDJGOYLYLBB-JTQLQIEISA-N -1 1 385.432 1.561 20 0 GDADMM CC[C@@H]1CN(CC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)C[C@@H](C)O1 ZINC000736407389 598706824 /nfs/dbraw/zinc/70/68/24/598706824.db2.gz GNGMQIFMQSUFHI-UKRRQHHQSA-N -1 1 396.455 1.490 20 0 GDADMM CC[C@@H]1CN(CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)C[C@@H](C)O1 ZINC000736407389 598706826 /nfs/dbraw/zinc/70/68/26/598706826.db2.gz GNGMQIFMQSUFHI-UKRRQHHQSA-N -1 1 396.455 1.490 20 0 GDADMM C[C@H](C1CC1)N(C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)C1CC1 ZINC000735963090 598718722 /nfs/dbraw/zinc/71/87/22/598718722.db2.gz AGIBFYSZRFDNKO-GFCCVEGCSA-N -1 1 378.436 1.971 20 0 GDADMM CCCNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Br)ccc21 ZINC000736483818 598722450 /nfs/dbraw/zinc/72/24/50/598722450.db2.gz QBXPLPZCLARDAM-UHFFFAOYSA-N -1 1 391.229 1.470 20 0 GDADMM Cc1ncsc1COC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000737503169 598736151 /nfs/dbraw/zinc/73/61/51/598736151.db2.gz KPCZTDBAYIGILW-UHFFFAOYSA-N -1 1 398.452 1.967 20 0 GDADMM Cc1ncsc1COC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000737503169 598736153 /nfs/dbraw/zinc/73/61/53/598736153.db2.gz KPCZTDBAYIGILW-UHFFFAOYSA-N -1 1 398.452 1.967 20 0 GDADMM CC(C)c1cc(N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)ncn1 ZINC000735923920 598744102 /nfs/dbraw/zinc/74/41/02/598744102.db2.gz ZBSWKEFWLOXHIT-UHFFFAOYSA-N -1 1 381.444 1.972 20 0 GDADMM NC(=O)c1ccccc1N1CC[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000737760695 598748067 /nfs/dbraw/zinc/74/80/67/598748067.db2.gz JVNDOBZSBMAYBP-MRVPVSSYSA-N -1 1 390.860 1.766 20 0 GDADMM NC(=O)c1ccccc1N1CC[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000737760695 598748068 /nfs/dbraw/zinc/74/80/68/598748068.db2.gz JVNDOBZSBMAYBP-MRVPVSSYSA-N -1 1 390.860 1.766 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCCCn1ccccc1=O ZINC000737548392 598786751 /nfs/dbraw/zinc/78/67/51/598786751.db2.gz PNZDAMCROMYIRG-UHFFFAOYSA-N -1 1 394.391 1.968 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCCCn1ccccc1=O ZINC000737548392 598786752 /nfs/dbraw/zinc/78/67/52/598786752.db2.gz PNZDAMCROMYIRG-UHFFFAOYSA-N -1 1 394.391 1.968 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)c2nncn2C)c1-c1nn[n-]n1 ZINC000737189179 598811009 /nfs/dbraw/zinc/81/10/09/598811009.db2.gz KYCBXFUOMUIVLX-QMMMGPOBSA-N -1 1 385.457 1.481 20 0 GDADMM C[C@H](c1cccc(Cl)c1)N(C)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736200093 598814986 /nfs/dbraw/zinc/81/49/86/598814986.db2.gz RNEXPXJBEHGATG-SECBINFHSA-N -1 1 375.820 1.115 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCN(Cc2ccco2)CC1 ZINC000823607412 599337125 /nfs/dbraw/zinc/33/71/25/599337125.db2.gz UQUKVEOZNOYIGF-UHFFFAOYSA-N -1 1 392.416 1.105 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCN(Cc2ccco2)CC1 ZINC000823607412 599337127 /nfs/dbraw/zinc/33/71/27/599337127.db2.gz UQUKVEOZNOYIGF-UHFFFAOYSA-N -1 1 392.416 1.105 20 0 GDADMM CC[C@@](C)(NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1nc(C)cs1 ZINC000820854494 599349392 /nfs/dbraw/zinc/34/93/92/599349392.db2.gz WFHUQXINSJAABA-CQSZACIVSA-N -1 1 379.471 1.630 20 0 GDADMM CC[C@@](C)(NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1nc(C)cs1 ZINC000820854494 599349393 /nfs/dbraw/zinc/34/93/93/599349393.db2.gz WFHUQXINSJAABA-CQSZACIVSA-N -1 1 379.471 1.630 20 0 GDADMM COc1cccc(F)c1[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821872064 599360637 /nfs/dbraw/zinc/36/06/37/599360637.db2.gz IEKLXZZRLZIREO-SECBINFHSA-N -1 1 378.389 1.449 20 0 GDADMM COc1cccc(F)c1[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821872064 599360639 /nfs/dbraw/zinc/36/06/39/599360639.db2.gz IEKLXZZRLZIREO-SECBINFHSA-N -1 1 378.389 1.449 20 0 GDADMM NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000737741328 599401109 /nfs/dbraw/zinc/40/11/09/599401109.db2.gz WNTZZMIMVYXUQM-MRXNPFEDSA-N -1 1 398.858 1.264 20 0 GDADMM NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000737741328 599401111 /nfs/dbraw/zinc/40/11/11/599401111.db2.gz WNTZZMIMVYXUQM-MRXNPFEDSA-N -1 1 398.858 1.264 20 0 GDADMM O=S(=O)(NC1CCN(c2cccc(-c3nnn[n-]3)n2)CC1)c1cccs1 ZINC000738343591 599401212 /nfs/dbraw/zinc/40/12/12/599401212.db2.gz RWOWHEJLUUKUQI-UHFFFAOYSA-N -1 1 391.482 1.271 20 0 GDADMM O=S(=O)(NC1CCN(c2cccc(-c3nn[n-]n3)n2)CC1)c1cccs1 ZINC000738343591 599401214 /nfs/dbraw/zinc/40/12/14/599401214.db2.gz RWOWHEJLUUKUQI-UHFFFAOYSA-N -1 1 391.482 1.271 20 0 GDADMM COc1ccc(CC(=O)N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)cc1 ZINC000737083603 599419007 /nfs/dbraw/zinc/41/90/07/599419007.db2.gz SEDUFWHGNLXTNN-UHFFFAOYSA-N -1 1 379.424 1.162 20 0 GDADMM COc1ccc(CC(=O)N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)cc1 ZINC000737083603 599419009 /nfs/dbraw/zinc/41/90/09/599419009.db2.gz SEDUFWHGNLXTNN-UHFFFAOYSA-N -1 1 379.424 1.162 20 0 GDADMM O=C(CCCc1ccccc1)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000737838053 599422752 /nfs/dbraw/zinc/42/27/52/599422752.db2.gz YASBMMUJSHGEGV-UHFFFAOYSA-N -1 1 377.452 1.933 20 0 GDADMM O=C(CCCc1ccccc1)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000737838053 599422755 /nfs/dbraw/zinc/42/27/55/599422755.db2.gz YASBMMUJSHGEGV-UHFFFAOYSA-N -1 1 377.452 1.933 20 0 GDADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1cccc([C@H]2CNC(=O)C2)c1 ZINC000822224094 607378013 /nfs/dbraw/zinc/37/80/13/607378013.db2.gz WCWJXWHNXJBDCI-CQSZACIVSA-N -1 1 398.448 1.579 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)cc1-c1nn[n-]n1 ZINC000821978808 599456651 /nfs/dbraw/zinc/45/66/51/599456651.db2.gz MZAZFQQPJYHCJM-FXAINCCUSA-N -1 1 390.469 1.623 20 0 GDADMM CC1=C(C(=O)N(C)C)[C@@H](c2ccc(-c3nnn[n-]3)o2)NC(=O)N1CCC(C)C ZINC000820634735 599492123 /nfs/dbraw/zinc/49/21/23/599492123.db2.gz IOEXLEDYEFMTPQ-OAHLLOKOSA-N -1 1 387.444 1.934 20 0 GDADMM CC1=C(C(=O)N(C)C)[C@@H](c2ccc(-c3nn[n-]n3)o2)NC(=O)N1CCC(C)C ZINC000820634735 599492125 /nfs/dbraw/zinc/49/21/25/599492125.db2.gz IOEXLEDYEFMTPQ-OAHLLOKOSA-N -1 1 387.444 1.934 20 0 GDADMM CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(-c3nnn[n-]3)o2)NC(=O)N1 ZINC000820634776 599492339 /nfs/dbraw/zinc/49/23/39/599492339.db2.gz JLAFYZUWCAXBRD-CQSZACIVSA-N -1 1 383.343 1.865 20 0 GDADMM CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(-c3nn[n-]n3)o2)NC(=O)N1 ZINC000820634776 599492342 /nfs/dbraw/zinc/49/23/42/599492342.db2.gz JLAFYZUWCAXBRD-CQSZACIVSA-N -1 1 383.343 1.865 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCc1ccc(O)c(F)c1 ZINC000737201051 599604292 /nfs/dbraw/zinc/60/42/92/599604292.db2.gz PTGHLLHQNHAEKU-UHFFFAOYSA-N -1 1 386.387 1.678 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc(OC(F)F)c1 ZINC000737908887 599606033 /nfs/dbraw/zinc/60/60/33/599606033.db2.gz LEUUTJSIJQNUPG-UHFFFAOYSA-N -1 1 375.291 1.903 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc(OC(F)F)c1 ZINC000737908887 599606034 /nfs/dbraw/zinc/60/60/34/599606034.db2.gz LEUUTJSIJQNUPG-UHFFFAOYSA-N -1 1 375.291 1.903 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OC1([C@H]2CCOC2)CC1 ZINC000822458079 599625082 /nfs/dbraw/zinc/62/50/82/599625082.db2.gz CKMJUAAEAHAFFF-ZDUSSCGKSA-N -1 1 397.439 1.571 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OC1([C@H]2CCOC2)CC1 ZINC000822458079 599625083 /nfs/dbraw/zinc/62/50/83/599625083.db2.gz CKMJUAAEAHAFFF-ZDUSSCGKSA-N -1 1 397.439 1.571 20 0 GDADMM CC(=O)c1ccc([O-])c(CCOC(=O)COc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000819833551 599647835 /nfs/dbraw/zinc/64/78/35/599647835.db2.gz GZHZIFNGJLGIIB-UHFFFAOYSA-N -1 1 382.376 1.940 20 0 GDADMM CC(=O)N(C)c1cccc([N-]S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)c1 ZINC000819788618 599689417 /nfs/dbraw/zinc/68/94/17/599689417.db2.gz FIAZVRJDFDIKSF-UHFFFAOYSA-N -1 1 386.437 1.959 20 0 GDADMM CCN(C)S(=O)(=O)Nc1ccc(Oc2ncccc2-c2nn[n-]n2)cc1C ZINC000821165829 599695197 /nfs/dbraw/zinc/69/51/97/599695197.db2.gz WUXGPGCYRQOOAL-UHFFFAOYSA-N -1 1 389.441 1.971 20 0 GDADMM Cc1c(C(=O)[O-])sc2[nH]c(CN3CCN([C@H]4CCC[C@@H]4O)CC3)nc(=O)c12 ZINC000738289125 599712350 /nfs/dbraw/zinc/71/23/50/599712350.db2.gz DNSXYDKEIPQSKG-RYUDHWBXSA-N -1 1 392.481 1.022 20 0 GDADMM CN1CCN(C[C@H](NC(=O)c2ccc(OCC(=O)[O-])cc2)c2ccccc2)CC1 ZINC000659752236 599746413 /nfs/dbraw/zinc/74/64/13/599746413.db2.gz CRCFHINYXSHPNZ-FQEVSTJZSA-N -1 1 397.475 1.869 20 0 GDADMM COC(=O)C[C@@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000821658605 607390786 /nfs/dbraw/zinc/39/07/86/607390786.db2.gz CBOCPRBBWDZZBJ-VIFPVBQESA-N -1 1 385.833 1.236 20 0 GDADMM COC(=O)C[C@@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000821658605 607390788 /nfs/dbraw/zinc/39/07/88/607390788.db2.gz CBOCPRBBWDZZBJ-VIFPVBQESA-N -1 1 385.833 1.236 20 0 GDADMM O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)N3CC[C@H]([NH+]4CCCCC4)C3)cc2)[n-]1 ZINC000739874701 599762696 /nfs/dbraw/zinc/76/26/96/599762696.db2.gz WNKXYYXMKQQZFO-SFHVURJKSA-N -1 1 398.463 1.493 20 0 GDADMM COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)CN(C)C[C@@H]1CCCOC1 ZINC000737649282 599763918 /nfs/dbraw/zinc/76/39/18/599763918.db2.gz IOZAZNSCYMSBAK-NSHDSACASA-N -1 1 384.454 1.838 20 0 GDADMM COc1ccnc(N2CCN(S(=O)(=O)c3cc(C(=O)[O-])cs3)CC2)c1 ZINC000738143684 599801190 /nfs/dbraw/zinc/80/11/90/599801190.db2.gz VSPLFIKSBZMTEM-UHFFFAOYSA-N -1 1 383.451 1.361 20 0 GDADMM O=C([O-])/C=C1\SCC(=O)N1CCCSc1nc(-c2cccnc2)n[nH]1 ZINC000739624856 599833016 /nfs/dbraw/zinc/83/30/16/599833016.db2.gz MEPBQWYBMJCMCT-GHXNOFRVSA-N -1 1 377.451 1.850 20 0 GDADMM O=C([O-])Cc1csc(NC(=O)CN2CCC(CCN3CCOCC3)CC2)n1 ZINC000738631562 599850603 /nfs/dbraw/zinc/85/06/03/599850603.db2.gz ILTVNNYUKXAUDV-UHFFFAOYSA-N -1 1 396.513 1.143 20 0 GDADMM CS(=O)(=O)Nc1ccc(S(=O)(=O)Oc2ccc(C(=O)[O-])cc2)c(F)c1 ZINC000738138795 599875107 /nfs/dbraw/zinc/87/51/07/599875107.db2.gz HSSSAEMFTUNTJE-UHFFFAOYSA-N -1 1 389.382 1.663 20 0 GDADMM O=C([O-])CSCCNC(=O)C(=O)Nc1ccccc1CN1CCSCC1 ZINC000739857476 599910290 /nfs/dbraw/zinc/91/02/90/599910290.db2.gz KLDFLGYAAOOIKD-UHFFFAOYSA-N -1 1 397.522 1.108 20 0 GDADMM 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O=C([O-])NCCNC(=O)[C@H]1CCCN([C@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000740658676 602782543 /nfs/dbraw/zinc/78/25/43/602782543.db2.gz FBOPCJNWHLFABM-RDJZCZTQSA-N -1 1 388.468 1.278 20 0 GDADMM Cn1ncc2c1CCC[C@@H]2NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826366491 607585928 /nfs/dbraw/zinc/58/59/28/607585928.db2.gz KNTAGQPCNNGFBC-NSHDSACASA-N -1 1 393.860 1.610 20 0 GDADMM Cn1ncc2c1CCC[C@@H]2NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826366491 607585929 /nfs/dbraw/zinc/58/59/29/607585929.db2.gz KNTAGQPCNNGFBC-NSHDSACASA-N -1 1 393.860 1.610 20 0 GDADMM C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739175905 602792170 /nfs/dbraw/zinc/79/21/70/602792170.db2.gz LONONZJLYAOPRA-PMPSAXMXSA-N -1 1 375.473 1.097 20 0 GDADMM C[C@H]1CN(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)CC[C@@H]1NC(=O)[O-] ZINC000739150733 602818052 /nfs/dbraw/zinc/81/80/52/602818052.db2.gz YDIUIDIWDKPCGT-HOCLYGCPSA-N -1 1 390.488 1.021 20 0 GDADMM C[C@@H]1CN(Cc2ccc(CNC(=O)[C@H]3COCCN3C(=O)[O-])cc2)C[C@@H](C)O1 ZINC000739185992 602843244 /nfs/dbraw/zinc/84/32/44/602843244.db2.gz RUCGMXZKVHGQCJ-IIDMSEBBSA-N -1 1 391.468 1.291 20 0 GDADMM COCc1cccc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826164504 607590232 /nfs/dbraw/zinc/59/02/32/607590232.db2.gz CVJTWFOXTJAKMW-UHFFFAOYSA-N -1 1 377.401 1.631 20 0 GDADMM COCc1cccc(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826164504 607590233 /nfs/dbraw/zinc/59/02/33/607590233.db2.gz CVJTWFOXTJAKMW-UHFFFAOYSA-N -1 1 377.401 1.631 20 0 GDADMM COc1ccc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c(OC)c1 ZINC000826203566 607592177 /nfs/dbraw/zinc/59/21/77/607592177.db2.gz VZQYCBKJMBGISW-UHFFFAOYSA-N -1 1 393.400 1.502 20 0 GDADMM COc1ccc(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c(OC)c1 ZINC000826203566 607592179 /nfs/dbraw/zinc/59/21/79/607592179.db2.gz VZQYCBKJMBGISW-UHFFFAOYSA-N -1 1 393.400 1.502 20 0 GDADMM O=C([O-])Nc1ccc(C(=O)OCC2=Nc3ccccc3S(=O)(=O)N2)c(O)c1 ZINC000740701317 602882781 /nfs/dbraw/zinc/88/27/81/602882781.db2.gz RVEXOVUIPSOCRW-UHFFFAOYSA-N -1 1 391.361 1.661 20 0 GDADMM O=S(=O)(NCCc1c(F)cccc1F)c1cccc(F)c1-c1nnn[n-]1 ZINC000826491394 607592529 /nfs/dbraw/zinc/59/25/29/607592529.db2.gz HTXNFLGQKHQVKP-UHFFFAOYSA-N -1 1 383.355 1.805 20 0 GDADMM O=S(=O)(NCCc1c(F)cccc1F)c1cccc(F)c1-c1nn[n-]n1 ZINC000826491394 607592531 /nfs/dbraw/zinc/59/25/31/607592531.db2.gz HTXNFLGQKHQVKP-UHFFFAOYSA-N -1 1 383.355 1.805 20 0 GDADMM C[C@@H]1CN(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)C[C@@H](C)N1C(=O)[O-] ZINC000739145700 602889169 /nfs/dbraw/zinc/88/91/69/602889169.db2.gz JOMVOVSCQLVREI-HUUCEWRRSA-N -1 1 390.488 1.116 20 0 GDADMM O=C(CCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)NC1CCCCC1 ZINC000826407797 607594541 /nfs/dbraw/zinc/59/45/41/607594541.db2.gz BFNKVXNCFYZTCG-UHFFFAOYSA-N -1 1 396.448 1.123 20 0 GDADMM O=C(CCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)NC1CCCCC1 ZINC000826407797 607594543 /nfs/dbraw/zinc/59/45/43/607594543.db2.gz BFNKVXNCFYZTCG-UHFFFAOYSA-N -1 1 396.448 1.123 20 0 GDADMM O=S(=O)(NCCN1Cc2ccccc2C1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826490790 607598366 /nfs/dbraw/zinc/59/83/66/607598366.db2.gz HUKNMDXWMQYJKC-UHFFFAOYSA-N -1 1 388.428 1.300 20 0 GDADMM COC[C@H](C)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826149069 607598940 /nfs/dbraw/zinc/59/89/40/607598940.db2.gz YJXDIDWTFVTDQF-MRVPVSSYSA-N -1 1 379.364 1.446 20 0 GDADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(C)c1-c1nn[nH]n1)c1ccccc1 ZINC000826111456 607602538 /nfs/dbraw/zinc/60/25/38/607602538.db2.gz FPQVCHSGBWMAMS-HNNXBMFYSA-N -1 1 387.421 1.368 20 0 GDADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@@H](CNC(=O)[O-])C1CC1 ZINC000740079577 603074137 /nfs/dbraw/zinc/07/41/37/603074137.db2.gz IUTDXHSGLJBMOS-KRWDZBQOSA-N -1 1 375.473 1.915 20 0 GDADMM CC(C)(C)c1n[nH]c([C@@H]2CN(C(=O)[C@@H]3CCC[C@H](NC(=O)[O-])C3)CCO2)n1 ZINC000823864923 603077671 /nfs/dbraw/zinc/07/76/71/603077671.db2.gz RMSDLEQFIVEUDQ-AGIUHOORSA-N -1 1 379.461 1.829 20 0 GDADMM CC(C)(C)c1nnc([C@@H]2CN(C(=O)[C@@H]3CCC[C@H](NC(=O)[O-])C3)CCO2)[nH]1 ZINC000823864923 603077677 /nfs/dbraw/zinc/07/76/77/603077677.db2.gz RMSDLEQFIVEUDQ-AGIUHOORSA-N -1 1 379.461 1.829 20 0 GDADMM Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)c1csc(CNC(=O)[O-])n1 ZINC000740234594 603121155 /nfs/dbraw/zinc/12/11/55/603121155.db2.gz UDAYZCWELSVRRS-UHFFFAOYSA-N -1 1 376.398 1.206 20 0 GDADMM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000739206275 603192888 /nfs/dbraw/zinc/19/28/88/603192888.db2.gz YGPQXPDMJHFBEY-RNCFNFMXSA-N -1 1 377.376 1.730 20 0 GDADMM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000739206275 603192892 /nfs/dbraw/zinc/19/28/92/603192892.db2.gz YGPQXPDMJHFBEY-RNCFNFMXSA-N -1 1 377.376 1.730 20 0 GDADMM C[C@@H](CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)Oc1ccccc1 ZINC000824428608 607614823 /nfs/dbraw/zinc/61/48/23/607614823.db2.gz SXYRVZAJADQBJJ-NSHDSACASA-N -1 1 377.401 1.752 20 0 GDADMM Cc1nc(CN2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)[O-])CC2)n[nH]1 ZINC000740217695 603226539 /nfs/dbraw/zinc/22/65/39/603226539.db2.gz ANJNTKDMXTVGDL-KKUMJFAQSA-N -1 1 376.461 1.068 20 0 GDADMM O=C([O-])N1Cc2ccccc2C[C@@H]1C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000740728555 603242213 /nfs/dbraw/zinc/24/22/13/603242213.db2.gz XALGTRPPYCHKNL-LJQANCHMSA-N -1 1 387.480 1.662 20 0 GDADMM Cc1csc(C(C)(C)NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826320491 607619239 /nfs/dbraw/zinc/61/92/39/607619239.db2.gz SLPVOUUNQJEZOM-UHFFFAOYSA-N -1 1 382.446 1.984 20 0 GDADMM Cc1csc(C(C)(C)NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826320491 607619241 /nfs/dbraw/zinc/61/92/41/607619241.db2.gz SLPVOUUNQJEZOM-UHFFFAOYSA-N -1 1 382.446 1.984 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCC[C@H]1Cn1cccn1 ZINC000826494991 607622252 /nfs/dbraw/zinc/62/22/52/607622252.db2.gz XYODWBJRZYHDHL-LBPRGKRZSA-N -1 1 393.860 1.570 20 0 GDADMM O=C([O-])Nc1ccc(F)c(NC(=O)C(=O)N2CCN(C3CCCC3)CC2)c1 ZINC000740705079 603394472 /nfs/dbraw/zinc/39/44/72/603394472.db2.gz RAQAQESHKQHFHR-UHFFFAOYSA-N -1 1 378.404 1.941 20 0 GDADMM CC[C@H](NC(=O)[O-])C(=O)N[C@]1(C(=O)OC)CCCN(Cc2ccccc2)C1 ZINC000827519115 603468410 /nfs/dbraw/zinc/46/84/10/603468410.db2.gz QEGXUAZHDPCGLB-HNAYVOBHSA-N -1 1 377.441 1.357 20 0 GDADMM O=S(=O)(NCC1(O)CCCCCC1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826489847 607631542 /nfs/dbraw/zinc/63/15/42/607631542.db2.gz BMLJTHMRXDIGDP-UHFFFAOYSA-N -1 1 385.877 1.884 20 0 GDADMM O=S(=O)(NCC1(O)CCCCCC1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826489847 607631544 /nfs/dbraw/zinc/63/15/44/607631544.db2.gz BMLJTHMRXDIGDP-UHFFFAOYSA-N -1 1 385.877 1.884 20 0 GDADMM CN(C(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O)C1CCC(NC(=O)[O-])CC1 ZINC000827938926 603484140 /nfs/dbraw/zinc/48/41/40/603484140.db2.gz TVZOQGKICOTBQN-UHFFFAOYSA-N -1 1 390.465 1.873 20 0 GDADMM O=S(=O)(NC[C@H](O)Cc1ccccc1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826489283 607632417 /nfs/dbraw/zinc/63/24/17/607632417.db2.gz LPJCLOAUDAFNBK-GFCCVEGCSA-N -1 1 393.856 1.402 20 0 GDADMM O=S(=O)(NC[C@H](O)Cc1ccccc1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826489283 607632419 /nfs/dbraw/zinc/63/24/19/607632419.db2.gz LPJCLOAUDAFNBK-GFCCVEGCSA-N -1 1 393.856 1.402 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC2(C1)CC(F)(F)C2 ZINC000826232675 607639281 /nfs/dbraw/zinc/63/92/81/607639281.db2.gz CQCRXIPWXHSEON-UHFFFAOYSA-N -1 1 378.383 1.774 20 0 GDADMM Cc1c(C(=O)N2CCC(c3cnc[nH]3)CC2)nnn1C1CCN(C(=O)[O-])CC1 ZINC000829844090 603548570 /nfs/dbraw/zinc/54/85/70/603548570.db2.gz JKWSBIMIMHAOOX-UHFFFAOYSA-N -1 1 387.444 1.644 20 0 GDADMM O=S(=O)(N[C@@H](CO)c1ccc(F)cc1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826487697 607638787 /nfs/dbraw/zinc/63/87/87/607638787.db2.gz XEFHFNZBDPZLGJ-ZDUSSCGKSA-N -1 1 381.364 1.157 20 0 GDADMM O=S(=O)(N[C@H](CO)c1cccc(F)c1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826487382 607638909 /nfs/dbraw/zinc/63/89/09/607638909.db2.gz NDBKPGQLWUAYBC-CYBMUJFWSA-N -1 1 381.364 1.157 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N(CCO)CCc1ccccc1 ZINC000826495111 607639046 /nfs/dbraw/zinc/63/90/46/607639046.db2.gz CSXNBXYXGDBWCO-UHFFFAOYSA-N -1 1 391.428 1.232 20 0 GDADMM COc1ccccc1[C@@H](CO)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826218711 607639878 /nfs/dbraw/zinc/63/98/78/607639878.db2.gz JDLLLRWWYKCWCT-CYBMUJFWSA-N -1 1 393.400 1.026 20 0 GDADMM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)Nc1ccc(CN2CCN(C)CC2)cc1 ZINC000826115650 603658341 /nfs/dbraw/zinc/65/83/41/603658341.db2.gz JFSRSILFGMRDOP-WMLDXEAASA-N -1 1 390.484 1.876 20 0 GDADMM Cc1ccc([C@@H](O)CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)o1 ZINC000826284291 607644007 /nfs/dbraw/zinc/64/40/07/607644007.db2.gz OZYHSJJQYXIVJS-JTQLQIEISA-N -1 1 383.817 1.433 20 0 GDADMM Cc1ccc([C@@H](O)CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)o1 ZINC000826284291 607644008 /nfs/dbraw/zinc/64/40/08/607644008.db2.gz OZYHSJJQYXIVJS-JTQLQIEISA-N -1 1 383.817 1.433 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccc(CN3CCN(C)CC3)cc2)[C@H]1CNC(=O)[O-] ZINC000825912279 603687284 /nfs/dbraw/zinc/68/72/84/603687284.db2.gz GVHOZEAXDVSXQI-LPHOPBHVSA-N -1 1 388.512 1.942 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccc(CN3CCN(C)CC3)cc2)[C@H]1CNC(=O)[O-] ZINC000825912278 603687399 /nfs/dbraw/zinc/68/73/99/603687399.db2.gz GVHOZEAXDVSXQI-APWZRJJASA-N -1 1 388.512 1.942 20 0 GDADMM CCN(Cc1ccccc1NC(=O)C(=O)N[C@@H]1CCCN(CC)C1)C(=O)[O-] ZINC000827215051 603701727 /nfs/dbraw/zinc/70/17/27/603701727.db2.gz MQIMXOLSRNAUHP-OAHLLOKOSA-N -1 1 376.457 1.726 20 0 GDADMM CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000826691465 603716098 /nfs/dbraw/zinc/71/60/98/603716098.db2.gz RQHLFWHQSWTIJG-FYQPLNBISA-N -1 1 391.512 1.948 20 0 GDADMM C[C@H](NC(=O)c1cccc(CN2CCN(C)CC2)c1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000825465987 603727220 /nfs/dbraw/zinc/72/72/20/603727220.db2.gz POYLDYZNXNWTGS-LPHOPBHVSA-N -1 1 388.512 1.942 20 0 GDADMM COc1ccccc1[C@@H](CNC(=O)COC1CN(C(=O)[O-])C1)N1CCCC1 ZINC000829592421 603741171 /nfs/dbraw/zinc/74/11/71/603741171.db2.gz QRQGXRNCYBYNIS-MRXNPFEDSA-N -1 1 377.441 1.327 20 0 GDADMM O=S(=O)(N[C@H](CCCO)c1ccccc1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826487460 607644546 /nfs/dbraw/zinc/64/45/46/607644546.db2.gz PIZBRLHCDOZSEB-CQSZACIVSA-N -1 1 391.428 1.798 20 0 GDADMM O=S(=O)(N[C@H](CCCO)c1ccccc1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826487460 607644548 /nfs/dbraw/zinc/64/45/48/607644548.db2.gz PIZBRLHCDOZSEB-CQSZACIVSA-N -1 1 391.428 1.798 20 0 GDADMM COc1cc(NC(=O)C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)ccc1NC(=O)[O-] ZINC000829147599 603910124 /nfs/dbraw/zinc/91/01/24/603910124.db2.gz QCDRJCRDVSNGMW-QMTHXVAHSA-N -1 1 376.413 1.323 20 0 GDADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000825458609 603922947 /nfs/dbraw/zinc/92/29/47/603922947.db2.gz IXTGXEPURXWWJN-WODVXLOZSA-N -1 1 385.424 1.471 20 0 GDADMM O=C([O-])N1CCC(n2cc(C(=O)NCc3nc4ccc(F)cc4[nH]3)nn2)CC1 ZINC000831730775 603938347 /nfs/dbraw/zinc/93/83/47/603938347.db2.gz MABYZLBGLMDEPW-UHFFFAOYSA-N -1 1 387.375 1.538 20 0 GDADMM CCCc1nc([C@@H]2CN(C(=O)c3ccc(NC(=O)[O-])cc3O)CCO2)n[nH]1 ZINC000826953115 603948418 /nfs/dbraw/zinc/94/84/18/603948418.db2.gz CHJXKDPTHVLLGA-ZDUSSCGKSA-N -1 1 375.385 1.766 20 0 GDADMM CCCc1n[nH]c([C@@H]2CN(C(=O)c3ccc(NC(=O)[O-])cc3O)CCO2)n1 ZINC000826953115 603948421 /nfs/dbraw/zinc/94/84/21/603948421.db2.gz CHJXKDPTHVLLGA-ZDUSSCGKSA-N -1 1 375.385 1.766 20 0 GDADMM CC[C@@](C)(CC(=O)OC)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825044010 607662526 /nfs/dbraw/zinc/66/25/26/607662526.db2.gz LUGGVPOXFFAYEE-AWEZNQCLSA-N -1 1 387.849 1.530 20 0 GDADMM CC[C@@](C)(CC(=O)OC)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825044010 607662528 /nfs/dbraw/zinc/66/25/28/607662528.db2.gz LUGGVPOXFFAYEE-AWEZNQCLSA-N -1 1 387.849 1.530 20 0 GDADMM CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)N2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])C1 ZINC000827297231 603971973 /nfs/dbraw/zinc/97/19/73/603971973.db2.gz JLCGJSDBIBTTBZ-JONQDZQNSA-N -1 1 381.473 1.393 20 0 GDADMM CC[C@@H]1CN(C(=O)C[C@H](Cc2ccccc2)NC(=O)[O-])CCN1C[C@H](C)O ZINC000826680262 603990973 /nfs/dbraw/zinc/99/09/73/603990973.db2.gz AHJMHSBMMAMOMY-RYQLBKOJSA-N -1 1 377.485 1.559 20 0 GDADMM O=C([O-])NC1CCC(NC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)CC1 ZINC000832312706 604006313 /nfs/dbraw/zinc/00/63/13/604006313.db2.gz KOPJVUYGNFMXOL-UHFFFAOYSA-N -1 1 376.438 1.380 20 0 GDADMM CC(C)[C@H](CNC(=O)N1CCC[C@@H]([C@H](C)NC(=O)[O-])C1)N1CCN(C)CC1 ZINC000824115519 604111227 /nfs/dbraw/zinc/11/12/27/604111227.db2.gz CNSKSSHTZYAMLH-BBWFWOEESA-N -1 1 383.537 1.336 20 0 GDADMM CC(C)[C@H](CNC(=O)N1CCC[C@H]([C@H](C)NC(=O)[O-])C1)N1CCN(C)CC1 ZINC000824115521 604111482 /nfs/dbraw/zinc/11/14/82/604111482.db2.gz CNSKSSHTZYAMLH-ULQDDVLXSA-N -1 1 383.537 1.336 20 0 GDADMM O=S(=O)(N[C@@H]1CCC[C@H]2OCC[C@H]21)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826488213 607672881 /nfs/dbraw/zinc/67/28/81/607672881.db2.gz KPYBICDDEVLCBW-MVWJERBFSA-N -1 1 383.861 1.756 20 0 GDADMM O=S(=O)(N[C@@H]1CCC[C@H]2OCC[C@H]21)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826488213 607672883 /nfs/dbraw/zinc/67/28/83/607672883.db2.gz KPYBICDDEVLCBW-MVWJERBFSA-N -1 1 383.861 1.756 20 0 GDADMM Cc1ccc2c(c1)[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)CO2 ZINC000826294713 607674087 /nfs/dbraw/zinc/67/40/87/607674087.db2.gz ZPFXIIYHTGVIGD-GFCCVEGCSA-N -1 1 375.385 1.726 20 0 GDADMM 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C[C@@H]1CN(C(=O)C2(c3ccc(F)cc3)CCOCC2)CCN1CCC(=O)[O-] ZINC000833618252 605278461 /nfs/dbraw/zinc/27/84/61/605278461.db2.gz MOYORCOHHSXQIU-OAHLLOKOSA-N -1 1 378.444 1.881 20 0 GDADMM CC(C)CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(NC(=O)[O-])c(F)c2)C1 ZINC000833487585 605287141 /nfs/dbraw/zinc/28/71/41/605287141.db2.gz JWBVOYPBYHBGDR-ZDUSSCGKSA-N -1 1 396.419 1.327 20 0 GDADMM O=S(=O)(NCCOc1ccccc1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000826491623 607746908 /nfs/dbraw/zinc/74/69/08/607746908.db2.gz SDBDNELMENBLLJ-UHFFFAOYSA-N -1 1 380.817 1.272 20 0 GDADMM O=S(=O)(NCCOc1ccccc1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000826491623 607746909 /nfs/dbraw/zinc/74/69/09/607746909.db2.gz SDBDNELMENBLLJ-UHFFFAOYSA-N -1 1 380.817 1.272 20 0 GDADMM O=S(=O)(NC[C@@]1(O)CCc2ccccc21)c1cccc(F)c1-c1nnn[n-]1 ZINC000826490520 607748040 /nfs/dbraw/zinc/74/80/40/607748040.db2.gz YAMJVBRLDBMMGT-KRWDZBQOSA-N -1 1 389.412 1.118 20 0 GDADMM O=S(=O)(NC[C@@]1(O)CCc2ccccc21)c1cccc(F)c1-c1nn[n-]n1 ZINC000826490520 607748041 /nfs/dbraw/zinc/74/80/41/607748041.db2.gz YAMJVBRLDBMMGT-KRWDZBQOSA-N -1 1 389.412 1.118 20 0 GDADMM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000825810054 605366157 /nfs/dbraw/zinc/36/61/57/605366157.db2.gz SHPOIGMAHRMHIR-NEPJUHHUSA-N -1 1 390.465 1.722 20 0 GDADMM O=C([O-])N1CCO[C@H](C(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)C1 ZINC000834116497 605376586 /nfs/dbraw/zinc/37/65/86/605376586.db2.gz LCNHFBYLJOPDCG-CABCVRRESA-N -1 1 391.472 1.937 20 0 GDADMM Cc1cc(NC(=O)C(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)no1 ZINC000830090254 605438028 /nfs/dbraw/zinc/43/80/28/605438028.db2.gz RHPFAZCNYJKLQO-UHFFFAOYSA-N -1 1 385.340 1.113 20 0 GDADMM Cc1cc(NC(=O)C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)no1 ZINC000830090254 605438032 /nfs/dbraw/zinc/43/80/32/605438032.db2.gz RHPFAZCNYJKLQO-UHFFFAOYSA-N -1 1 385.340 1.113 20 0 GDADMM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)CCN1CCN(c2ccccn2)CC1 ZINC000825809601 605456879 /nfs/dbraw/zinc/45/68/79/605456879.db2.gz OUJHTMFJAYVUSV-CVEARBPZSA-N -1 1 375.473 1.241 20 0 GDADMM CCN(Cc1cccc(NC(=O)C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)c1)C(=O)[O-] ZINC000827161462 605503407 /nfs/dbraw/zinc/50/34/07/605503407.db2.gz IDUUDGKTNSPGKG-LBPRGKRZSA-N -1 1 387.440 1.904 20 0 GDADMM C[C@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])CC[N@@H+]1CCC(=O)[O-] ZINC000833619782 605528708 /nfs/dbraw/zinc/52/87/08/605528708.db2.gz CVKZJGUHQHAQMM-LBPRGKRZSA-N -1 1 376.388 1.338 20 0 GDADMM C[C@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])CC[N@H+]1CCC(=O)[O-] ZINC000833619782 605528710 /nfs/dbraw/zinc/52/87/10/605528710.db2.gz CVKZJGUHQHAQMM-LBPRGKRZSA-N -1 1 376.388 1.338 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCC1(C2CC2)CC1 ZINC000825001110 607763676 /nfs/dbraw/zinc/76/36/76/607763676.db2.gz XBOFPICOQFOJHB-LBPRGKRZSA-N -1 1 383.460 1.067 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCC1(C2CC2)CC1 ZINC000825001110 607763677 /nfs/dbraw/zinc/76/36/77/607763677.db2.gz XBOFPICOQFOJHB-LBPRGKRZSA-N -1 1 383.460 1.067 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)n1 ZINC000826356870 607764478 /nfs/dbraw/zinc/76/44/78/607764478.db2.gz IYFANKBYIKXOOL-SNVBAGLBSA-N -1 1 388.819 1.939 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)n1 ZINC000826356870 607764479 /nfs/dbraw/zinc/76/44/79/607764479.db2.gz IYFANKBYIKXOOL-SNVBAGLBSA-N -1 1 388.819 1.939 20 0 GDADMM COc1ccnc(N2CCN(C(=O)C[C@H]3CSCCN3C(=O)[O-])CC2)c1 ZINC000829649820 605644092 /nfs/dbraw/zinc/64/40/92/605644092.db2.gz LJOZKXNDGAHRMR-ZDUSSCGKSA-N -1 1 380.470 1.224 20 0 GDADMM O=C([O-])N1CCc2cccc(CNCCNS(=O)(=O)c3cccs3)c21 ZINC000834122033 605647197 /nfs/dbraw/zinc/64/71/97/605647197.db2.gz WYHUHIJQKLHAKH-UHFFFAOYSA-N -1 1 381.479 1.857 20 0 GDADMM N=C(NOCc1cn(-c2ccc(Cl)cc2)nn1)[C@@H]1COCCN1C(=O)[O-] ZINC000833979721 605731504 /nfs/dbraw/zinc/73/15/04/605731504.db2.gz JJHYCSMDYNJTPA-ZDUSSCGKSA-N -1 1 380.792 1.298 20 0 GDADMM CC(C)CN1CCO[C@@H](CNC(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)C1 ZINC000833488060 605739142 /nfs/dbraw/zinc/73/91/42/605739142.db2.gz NXEDFTPMFLCGNN-INIZCTEOSA-N -1 1 390.484 1.813 20 0 GDADMM O=C([O-])N1CCc2c1cccc2NC(=O)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000834058010 605767791 /nfs/dbraw/zinc/76/77/91/605767791.db2.gz JFXRMDVDLVMCKP-UHFFFAOYSA-N -1 1 392.375 1.885 20 0 GDADMM O=C([O-])c1cc(C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)on1 ZINC000833777834 605872929 /nfs/dbraw/zinc/87/29/29/605872929.db2.gz HBLOKYLLWLKRBA-UHFFFAOYSA-N -1 1 392.843 1.968 20 0 GDADMM C[C@@H]1C[C@H](CNC(=O)[O-])CN1CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000833827546 605895108 /nfs/dbraw/zinc/89/51/08/605895108.db2.gz BHAZYTSATPWPGX-CPUCHLNUSA-N -1 1 379.432 1.704 20 0 GDADMM C[C@@H]1C[C@H](CNC(=O)[O-])CN1CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000833827545 605895450 /nfs/dbraw/zinc/89/54/50/605895450.db2.gz BHAZYTSATPWPGX-CKEIUWERSA-N -1 1 379.432 1.704 20 0 GDADMM C[C@H]1C[C@H](CNC(=O)[O-])CN1CC(=O)NCCc1nc2ccccc2s1 ZINC000833827870 605906687 /nfs/dbraw/zinc/90/66/87/605906687.db2.gz CETUBMJACXLIPC-QWHCGFSZSA-N -1 1 376.482 1.933 20 0 GDADMM O=C([O-])N[C@H]1CCCN(C(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C1 ZINC000834180814 605929384 /nfs/dbraw/zinc/92/93/84/605929384.db2.gz DHSNTMSEGKGSGE-VIFPVBQESA-N -1 1 381.339 1.698 20 0 GDADMM O=C([O-])N[C@@H](CNC(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)C1CC1 ZINC000834143709 605938447 /nfs/dbraw/zinc/93/84/47/605938447.db2.gz LWEWQXMJNFYAHA-NSHDSACASA-N -1 1 381.339 1.601 20 0 GDADMM C[C@@H]1[C@@H](C)N(C(=O)[O-])CCN1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000833825879 606040104 /nfs/dbraw/zinc/04/01/04/606040104.db2.gz DHXXUMUHGZCWDX-HZPDHXFCSA-N -1 1 375.473 1.193 20 0 GDADMM CCc1nc(CN2CCN(c3cc(-c4nnn[n-]4)nc4ccccc43)CC2)no1 ZINC000821510372 606125045 /nfs/dbraw/zinc/12/50/45/606125045.db2.gz ZTRBEUHZEYKBMS-UHFFFAOYSA-N -1 1 391.439 1.683 20 0 GDADMM CCc1nc(CN2CCN(c3cc(-c4nn[n-]n4)nc4ccccc43)CC2)no1 ZINC000821510372 606125046 /nfs/dbraw/zinc/12/50/46/606125046.db2.gz ZTRBEUHZEYKBMS-UHFFFAOYSA-N -1 1 391.439 1.683 20 0 GDADMM COc1csc(C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)c1 ZINC000821911567 606133646 /nfs/dbraw/zinc/13/36/46/606133646.db2.gz YKEPLVKUQPVHMK-UHFFFAOYSA-N -1 1 377.382 1.942 20 0 GDADMM C[C@H]1CCCC[C@H]1OCCNC(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820702909 606137665 /nfs/dbraw/zinc/13/76/65/606137665.db2.gz BJYBLSVCTBMLHE-NWDGAFQWSA-N -1 1 393.469 1.797 20 0 GDADMM C[C@H]1CCCC[C@H]1OCCNC(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820702909 606137667 /nfs/dbraw/zinc/13/76/67/606137667.db2.gz BJYBLSVCTBMLHE-NWDGAFQWSA-N -1 1 393.469 1.797 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)n1 ZINC000822609639 606155586 /nfs/dbraw/zinc/15/55/86/606155586.db2.gz SQWKMQGGVOVTCM-LBPRGKRZSA-N -1 1 398.402 1.866 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)n1 ZINC000822609639 606155589 /nfs/dbraw/zinc/15/55/89/606155589.db2.gz SQWKMQGGVOVTCM-LBPRGKRZSA-N -1 1 398.402 1.866 20 0 GDADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(-n2cncn2)cc1 ZINC000820380455 606156214 /nfs/dbraw/zinc/15/62/14/606156214.db2.gz UAMATAPVNMGRBX-SNVBAGLBSA-N -1 1 379.388 1.064 20 0 GDADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(-n2cncn2)cc1 ZINC000820380455 606156216 /nfs/dbraw/zinc/15/62/16/606156216.db2.gz UAMATAPVNMGRBX-SNVBAGLBSA-N -1 1 379.388 1.064 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H](Cn2cccn2)c2ccccc2)n1 ZINC000822609427 606158976 /nfs/dbraw/zinc/15/89/76/606158976.db2.gz NXXNNNPDXKCGSK-AWEZNQCLSA-N -1 1 378.400 1.360 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H](Cn2cccn2)c2ccccc2)n1 ZINC000822609427 606158979 /nfs/dbraw/zinc/15/89/79/606158979.db2.gz NXXNNNPDXKCGSK-AWEZNQCLSA-N -1 1 378.400 1.360 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2cccc(Br)c2)n1 ZINC000822619650 606159933 /nfs/dbraw/zinc/15/99/33/606159933.db2.gz CTEDXGIMGSKSQK-UHFFFAOYSA-N -1 1 377.206 1.684 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2cccc(Br)c2)n1 ZINC000822619650 606159935 /nfs/dbraw/zinc/15/99/35/606159935.db2.gz CTEDXGIMGSKSQK-UHFFFAOYSA-N -1 1 377.206 1.684 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC(C(=O)OC(C)(C)C)CC2)n1 ZINC000822604603 606161530 /nfs/dbraw/zinc/16/15/30/606161530.db2.gz HWWSXXHKJWQIDF-UHFFFAOYSA-N -1 1 376.421 1.186 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC(C(=O)OC(C)(C)C)CC2)n1 ZINC000822604603 606161531 /nfs/dbraw/zinc/16/15/31/606161531.db2.gz HWWSXXHKJWQIDF-UHFFFAOYSA-N -1 1 376.421 1.186 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCc2ccn(-c3ccccc3)n2)n1 ZINC000822619624 606163435 /nfs/dbraw/zinc/16/34/35/606163435.db2.gz BNBKDJPBRWVWCD-UHFFFAOYSA-N -1 1 378.400 1.150 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCc2ccn(-c3ccccc3)n2)n1 ZINC000822619624 606163437 /nfs/dbraw/zinc/16/34/37/606163437.db2.gz BNBKDJPBRWVWCD-UHFFFAOYSA-N -1 1 378.400 1.150 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCc2ccccc2C(F)(F)F)n1 ZINC000822619799 606167278 /nfs/dbraw/zinc/16/72/78/606167278.db2.gz GBHBVOFSZGOXFC-UHFFFAOYSA-N -1 1 380.334 1.983 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCc2ccccc2C(F)(F)F)n1 ZINC000822619799 606167280 /nfs/dbraw/zinc/16/72/80/606167280.db2.gz GBHBVOFSZGOXFC-UHFFFAOYSA-N -1 1 380.334 1.983 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccc(Br)s2)n1 ZINC000822620404 606169378 /nfs/dbraw/zinc/16/93/78/606169378.db2.gz PZMNFJJYKHRDOZ-UHFFFAOYSA-N -1 1 383.235 1.746 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccc(Br)s2)n1 ZINC000822620404 606169379 /nfs/dbraw/zinc/16/93/79/606169379.db2.gz PZMNFJJYKHRDOZ-UHFFFAOYSA-N -1 1 383.235 1.746 20 0 GDADMM CCCCN(C)C(=O)C1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC1 ZINC000821062115 606171312 /nfs/dbraw/zinc/17/13/12/606171312.db2.gz SZHLUKJDALNWHO-UHFFFAOYSA-N -1 1 389.464 1.103 20 0 GDADMM CCCCN(C)C(=O)C1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC1 ZINC000821062115 606171313 /nfs/dbraw/zinc/17/13/13/606171313.db2.gz SZHLUKJDALNWHO-UHFFFAOYSA-N -1 1 389.464 1.103 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)n1 ZINC000822609596 606173729 /nfs/dbraw/zinc/17/37/29/606173729.db2.gz RKEDXLFSJYBLOK-UHFFFAOYSA-N -1 1 391.436 1.121 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)n1 ZINC000822609596 606173730 /nfs/dbraw/zinc/17/37/30/606173730.db2.gz RKEDXLFSJYBLOK-UHFFFAOYSA-N -1 1 391.436 1.121 20 0 GDADMM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Cn1cccc(-c2nn[n-]n2)c1=O ZINC000820219395 606176775 /nfs/dbraw/zinc/17/67/75/606176775.db2.gz GCDYGCAZIHJWTL-CQSZACIVSA-N -1 1 378.436 1.856 20 0 GDADMM CO[C@@H](C)c1noc(CN(C)CC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)n1 ZINC000821675653 606192181 /nfs/dbraw/zinc/19/21/81/606192181.db2.gz QIPWOSYDOGCEDX-JTQLQIEISA-N -1 1 390.404 1.237 20 0 GDADMM Cc1ccccc1Cc1noc(Cn2nc(C)c(C)c(-c3nn[n-]n3)c2=O)n1 ZINC000822362242 606202875 /nfs/dbraw/zinc/20/28/75/606202875.db2.gz PPCRIOPEOKGIEL-UHFFFAOYSA-N -1 1 378.396 1.371 20 0 GDADMM Cc1ccc([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)cc1C(=O)N(C)C ZINC000822258689 606212199 /nfs/dbraw/zinc/21/21/99/606212199.db2.gz AHRLEKBQBLBSKC-UHFFFAOYSA-N -1 1 386.437 1.678 20 0 GDADMM Cc1ccccc1[C@H](CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])NC(N)=O ZINC000822344818 606294315 /nfs/dbraw/zinc/29/43/15/606294315.db2.gz AOUNZDJILXJSHK-ZDUSSCGKSA-N -1 1 381.396 1.619 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1ccnc(N(C)C)c1 ZINC000822010231 606312779 /nfs/dbraw/zinc/31/27/79/606312779.db2.gz UAUBKWPNKDUKBY-UHFFFAOYSA-N -1 1 382.428 1.616 20 0 GDADMM O=C1CCCN1Cc1nnc(Sc2ccc(Cl)c(-c3nnn[n-]3)n2)o1 ZINC000823530995 606441220 /nfs/dbraw/zinc/44/12/20/606441220.db2.gz WWUCSOANWCHQSD-UHFFFAOYSA-N -1 1 378.805 1.572 20 0 GDADMM O=C1CCCN1Cc1nnc(Sc2ccc(Cl)c(-c3nn[n-]n3)n2)o1 ZINC000823530995 606441221 /nfs/dbraw/zinc/44/12/21/606441221.db2.gz WWUCSOANWCHQSD-UHFFFAOYSA-N -1 1 378.805 1.572 20 0 GDADMM COc1ccc(OC)c(CN(CCO)c2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000821841069 606468495 /nfs/dbraw/zinc/46/84/95/606468495.db2.gz ATQPJFJLZNJLSI-UHFFFAOYSA-N -1 1 390.831 1.931 20 0 GDADMM COc1ccc(OC)c(CN(CCO)c2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000821841069 606468496 /nfs/dbraw/zinc/46/84/96/606468496.db2.gz ATQPJFJLZNJLSI-UHFFFAOYSA-N -1 1 390.831 1.931 20 0 GDADMM C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000820768578 606472729 /nfs/dbraw/zinc/47/27/29/606472729.db2.gz OFGVXYCNTDZOHM-AAEUAGOBSA-N -1 1 387.469 1.497 20 0 GDADMM C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000820768578 606472731 /nfs/dbraw/zinc/47/27/31/606472731.db2.gz OFGVXYCNTDZOHM-AAEUAGOBSA-N -1 1 387.469 1.497 20 0 GDADMM CS(=O)(=O)NCC[C@@H]1CCCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821937653 606481394 /nfs/dbraw/zinc/48/13/94/606481394.db2.gz OWGCFYIAXRSALX-JTQLQIEISA-N -1 1 385.881 1.213 20 0 GDADMM CS(=O)(=O)NCC[C@@H]1CCCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821937653 606481396 /nfs/dbraw/zinc/48/13/96/606481396.db2.gz OWGCFYIAXRSALX-JTQLQIEISA-N -1 1 385.881 1.213 20 0 GDADMM O=C(Nc1cccc(N2CCCS2(=O)=O)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823364026 606511125 /nfs/dbraw/zinc/51/11/25/606511125.db2.gz WPCUSFXCCLNGAH-UHFFFAOYSA-N -1 1 390.450 1.720 20 0 GDADMM O=C(Nc1cccc(N2CCCS2(=O)=O)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823364026 606511127 /nfs/dbraw/zinc/51/11/27/606511127.db2.gz WPCUSFXCCLNGAH-UHFFFAOYSA-N -1 1 390.450 1.720 20 0 GDADMM CCn1c(=O)[nH]c2cc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)ccc2c1=O ZINC000821564053 606516809 /nfs/dbraw/zinc/51/68/09/606516809.db2.gz RHDGLHODVVCFBH-UHFFFAOYSA-N -1 1 393.363 1.054 20 0 GDADMM CCn1c(=O)[nH]c2cc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)ccc2c1=O ZINC000821564053 606516810 /nfs/dbraw/zinc/51/68/10/606516810.db2.gz RHDGLHODVVCFBH-UHFFFAOYSA-N -1 1 393.363 1.054 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCN(c2ncnc3sccc32)CC1 ZINC000823484403 606524132 /nfs/dbraw/zinc/52/41/32/606524132.db2.gz XDTUSGSJOVMDKD-UHFFFAOYSA-N -1 1 398.477 1.895 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCN(c2ncnc3sccc32)CC1 ZINC000823484403 606524134 /nfs/dbraw/zinc/52/41/34/606524134.db2.gz XDTUSGSJOVMDKD-UHFFFAOYSA-N -1 1 398.477 1.895 20 0 GDADMM Cc1cc(C)c(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)o1 ZINC000822194357 606524764 /nfs/dbraw/zinc/52/47/64/606524764.db2.gz TUOIURRTYYRZRB-UHFFFAOYSA-N -1 1 383.412 1.904 20 0 GDADMM O=C(N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1)C(F)(F)C(F)F ZINC000823140709 606525002 /nfs/dbraw/zinc/52/50/02/606525002.db2.gz YDBLQEFBZOFJOL-UHFFFAOYSA-N -1 1 389.313 1.281 20 0 GDADMM CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821594057 606547138 /nfs/dbraw/zinc/54/71/38/606547138.db2.gz WWHWOOMFOUMOFA-UHFFFAOYSA-N -1 1 378.364 1.917 20 0 GDADMM CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821594057 606547141 /nfs/dbraw/zinc/54/71/41/606547141.db2.gz WWHWOOMFOUMOFA-UHFFFAOYSA-N -1 1 378.364 1.917 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H]1CCCn2ncnc21 ZINC000822534947 606548036 /nfs/dbraw/zinc/54/80/36/606548036.db2.gz DDOVCCICVCIXMW-NSHDSACASA-N -1 1 379.384 1.415 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H]1CCCn2ncnc21 ZINC000822534947 606548038 /nfs/dbraw/zinc/54/80/38/606548038.db2.gz DDOVCCICVCIXMW-NSHDSACASA-N -1 1 379.384 1.415 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)CCN1C[C@@H](O)c1ccccc1 ZINC000820741964 606566302 /nfs/dbraw/zinc/56/63/02/606566302.db2.gz GXUKCDDUVJQGIX-DZGCQCFKSA-N -1 1 398.492 1.808 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)n(C)c1=O ZINC000822600620 606595250 /nfs/dbraw/zinc/59/52/50/606595250.db2.gz OFGKOCQGLJUYTA-RKDXNWHRSA-N -1 1 387.366 1.045 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@@H](CO)c1ccccc1 ZINC000822005557 606604471 /nfs/dbraw/zinc/60/44/71/606604471.db2.gz SNVIWPUNTFUZLQ-HNNXBMFYSA-N -1 1 396.451 1.409 20 0 GDADMM CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821020908 606647150 /nfs/dbraw/zinc/64/71/50/606647150.db2.gz JKTILONUXBTTET-MRXNPFEDSA-N -1 1 394.435 1.833 20 0 GDADMM CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821020908 606647151 /nfs/dbraw/zinc/64/71/51/606647151.db2.gz JKTILONUXBTTET-MRXNPFEDSA-N -1 1 394.435 1.833 20 0 GDADMM CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)OCc2ccnc(-c3nnn[n-]3)c2)C1 ZINC000819940333 606649939 /nfs/dbraw/zinc/64/99/39/606649939.db2.gz XLNAKDYYTFCXMY-STQMWFEESA-N -1 1 388.428 1.998 20 0 GDADMM CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)OCc2ccnc(-c3nn[n-]n3)c2)C1 ZINC000819940333 606649940 /nfs/dbraw/zinc/64/99/40/606649940.db2.gz XLNAKDYYTFCXMY-STQMWFEESA-N -1 1 388.428 1.998 20 0 GDADMM COc1ccc(Cn2cc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)cn2)cc1 ZINC000821828577 606653433 /nfs/dbraw/zinc/65/34/33/606653433.db2.gz YOHZMQDQYPEQDF-UHFFFAOYSA-N -1 1 391.391 1.872 20 0 GDADMM COc1ccc(Cn2cc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)cn2)cc1 ZINC000821828577 606653434 /nfs/dbraw/zinc/65/34/34/606653434.db2.gz YOHZMQDQYPEQDF-UHFFFAOYSA-N -1 1 391.391 1.872 20 0 GDADMM CN1C(=O)CC[C@@H](C(=O)OCc2ccnc(-c3nnn[n-]3)c2)[C@H]1c1ccccc1 ZINC000821618979 606653551 /nfs/dbraw/zinc/65/35/51/606653551.db2.gz DIIRSBFFPVTHLD-CRAIPNDOSA-N -1 1 392.419 1.915 20 0 GDADMM CN1C(=O)CC[C@@H](C(=O)OCc2ccnc(-c3nn[n-]n3)c2)[C@H]1c1ccccc1 ZINC000821618979 606653552 /nfs/dbraw/zinc/65/35/52/606653552.db2.gz DIIRSBFFPVTHLD-CRAIPNDOSA-N -1 1 392.419 1.915 20 0 GDADMM C[C@@H](C(=O)N1CCCC1)N1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000819857700 606730678 /nfs/dbraw/zinc/73/06/78/606730678.db2.gz UKEYYAXOKVZHFE-LBPRGKRZSA-N -1 1 390.879 1.048 20 0 GDADMM C[C@@H](C(=O)N1CCCC1)N1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000819857700 606730680 /nfs/dbraw/zinc/73/06/80/606730680.db2.gz UKEYYAXOKVZHFE-LBPRGKRZSA-N -1 1 390.879 1.048 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000822005847 606754414 /nfs/dbraw/zinc/75/44/14/606754414.db2.gz ULPPOXQRNHQMMN-RRFJBIMHSA-N -1 1 386.456 1.591 20 0 GDADMM Cc1ccc(CNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cc1 ZINC000822237322 606768540 /nfs/dbraw/zinc/76/85/40/606768540.db2.gz OWCOFMUFAQBMON-CQSZACIVSA-N -1 1 393.455 1.385 20 0 GDADMM Cc1ccc(CNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cc1 ZINC000822237322 606768542 /nfs/dbraw/zinc/76/85/42/606768542.db2.gz OWCOFMUFAQBMON-CQSZACIVSA-N -1 1 393.455 1.385 20 0 GDADMM CC[C@@H]1CC[C@H](C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)O1 ZINC000820971977 606785570 /nfs/dbraw/zinc/78/55/70/606785570.db2.gz IZJIAHUDRPTSLY-CHWSQXEVSA-N -1 1 387.444 1.338 20 0 GDADMM C[C@@H]1CC[C@H](NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)[C@@H](C)C1 ZINC000820691108 606792271 /nfs/dbraw/zinc/79/22/71/606792271.db2.gz VKAATJIAGDSGNR-QPSCCSFWSA-N -1 1 399.503 1.702 20 0 GDADMM C[C@@H]1CC[C@H](NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)[C@@H](C)C1 ZINC000820691108 606792274 /nfs/dbraw/zinc/79/22/74/606792274.db2.gz VKAATJIAGDSGNR-QPSCCSFWSA-N -1 1 399.503 1.702 20 0 GDADMM CSCCCCNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821962032 606793074 /nfs/dbraw/zinc/79/30/74/606793074.db2.gz NUTMHIAWLDYYDZ-LBPRGKRZSA-N -1 1 391.505 1.020 20 0 GDADMM CSCCCCNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821962032 606793076 /nfs/dbraw/zinc/79/30/76/606793076.db2.gz NUTMHIAWLDYYDZ-LBPRGKRZSA-N -1 1 391.505 1.020 20 0 GDADMM O=S(=O)(N[C@@H]1COc2ccc(Cl)cc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000823573083 606795653 /nfs/dbraw/zinc/79/56/53/606795653.db2.gz RRGGRNAFQPVRDA-GFCCVEGCSA-N -1 1 378.801 1.327 20 0 GDADMM O=S(=O)(N[C@@H]1COc2ccc(Cl)cc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000823573083 606795654 /nfs/dbraw/zinc/79/56/54/606795654.db2.gz RRGGRNAFQPVRDA-GFCCVEGCSA-N -1 1 378.801 1.327 20 0 GDADMM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000821931989 606808210 /nfs/dbraw/zinc/80/82/10/606808210.db2.gz ICFGUWNVFYAWOS-DGCLKSJQSA-N -1 1 387.469 1.545 20 0 GDADMM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000821931989 606808212 /nfs/dbraw/zinc/80/82/12/606808212.db2.gz ICFGUWNVFYAWOS-DGCLKSJQSA-N -1 1 387.469 1.545 20 0 GDADMM CC[C@@H]1CCC[C@H]1NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820972497 606811117 /nfs/dbraw/zinc/81/11/17/606811117.db2.gz OHMAFBMRVQLHNP-BFHYXJOUSA-N -1 1 385.476 1.456 20 0 GDADMM CC[C@@H]1CCC[C@H]1NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820972497 606811118 /nfs/dbraw/zinc/81/11/18/606811118.db2.gz OHMAFBMRVQLHNP-BFHYXJOUSA-N -1 1 385.476 1.456 20 0 GDADMM CC[C@@H]1CCC[C@@H]1NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820972499 606811544 /nfs/dbraw/zinc/81/15/44/606811544.db2.gz OHMAFBMRVQLHNP-MCIONIFRSA-N -1 1 385.476 1.456 20 0 GDADMM CC[C@@H]1CCC[C@@H]1NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820972499 606811546 /nfs/dbraw/zinc/81/15/46/606811546.db2.gz OHMAFBMRVQLHNP-MCIONIFRSA-N -1 1 385.476 1.456 20 0 GDADMM COCCOCCN(Cc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821692865 606819298 /nfs/dbraw/zinc/81/92/98/606819298.db2.gz GMRAJONDCMALSA-UHFFFAOYSA-N -1 1 382.424 1.567 20 0 GDADMM COCCOCCN(Cc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821692865 606819300 /nfs/dbraw/zinc/81/93/00/606819300.db2.gz GMRAJONDCMALSA-UHFFFAOYSA-N -1 1 382.424 1.567 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc(Cl)ccn1 ZINC000820788777 606819969 /nfs/dbraw/zinc/81/99/69/606819969.db2.gz NYCINWUXIILBKO-JTQLQIEISA-N -1 1 385.819 1.056 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc(Cl)ccn1 ZINC000820788777 606819970 /nfs/dbraw/zinc/81/99/70/606819970.db2.gz NYCINWUXIILBKO-JTQLQIEISA-N -1 1 385.819 1.056 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C=Cc1ccsc1 ZINC000820776463 606820014 /nfs/dbraw/zinc/82/00/14/606820014.db2.gz MDMAFOOWMZSWIL-QAVQXKDTSA-N -1 1 382.453 1.469 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C=Cc1ccsc1 ZINC000820776463 606820015 /nfs/dbraw/zinc/82/00/15/606820015.db2.gz MDMAFOOWMZSWIL-QAVQXKDTSA-N -1 1 382.453 1.469 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C=Cc1ccsc1 ZINC000820776464 606820145 /nfs/dbraw/zinc/82/01/45/606820145.db2.gz MDMAFOOWMZSWIL-ZZKXABKFSA-N -1 1 382.453 1.469 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C=Cc1ccsc1 ZINC000820776464 606820147 /nfs/dbraw/zinc/82/01/47/606820147.db2.gz MDMAFOOWMZSWIL-ZZKXABKFSA-N -1 1 382.453 1.469 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CSC(C)(C)C ZINC000820778851 606823578 /nfs/dbraw/zinc/82/35/78/606823578.db2.gz YCWJREZQZBNLRK-LLVKDONJSA-N -1 1 376.490 1.226 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CSC(C)(C)C ZINC000820778851 606823579 /nfs/dbraw/zinc/82/35/79/606823579.db2.gz YCWJREZQZBNLRK-LLVKDONJSA-N -1 1 376.490 1.226 20 0 GDADMM COc1cc(C)c([C@@H](C)NC(=O)Cn2cccc(-c3nn[n-]n3)c2=O)cc1OC ZINC000821708550 606824916 /nfs/dbraw/zinc/82/49/16/606824916.db2.gz SJZBSRXJHTWBDT-GFCCVEGCSA-N -1 1 398.423 1.231 20 0 GDADMM CCOc1ccccc1[C@@H](CC)NC(=O)Cn1cccc(-c2nn[n-]n2)c1=O ZINC000821431398 606825255 /nfs/dbraw/zinc/82/52/55/606825255.db2.gz SQOUAIGVNQJSMV-OAHLLOKOSA-N -1 1 382.424 1.695 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCC1CCCCC1 ZINC000820788689 606826167 /nfs/dbraw/zinc/82/61/67/606826167.db2.gz MHMFCYISHUQEIQ-CYBMUJFWSA-N -1 1 385.476 1.457 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCC1CCCCC1 ZINC000820788689 606826169 /nfs/dbraw/zinc/82/61/69/606826169.db2.gz MHMFCYISHUQEIQ-CYBMUJFWSA-N -1 1 385.476 1.457 20 0 GDADMM CC(C)CC[C@@H](C)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820072952 606826288 /nfs/dbraw/zinc/82/62/88/606826288.db2.gz OTXFRDYZCOJSHW-KGLIPLIRSA-N -1 1 387.492 1.702 20 0 GDADMM CC(C)CC[C@@H](C)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820072952 606826289 /nfs/dbraw/zinc/82/62/89/606826289.db2.gz OTXFRDYZCOJSHW-KGLIPLIRSA-N -1 1 387.492 1.702 20 0 GDADMM CC(=O)c1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cc1 ZINC000819833567 606829431 /nfs/dbraw/zinc/82/94/31/606829431.db2.gz HHMKXAURIJSAML-LBPRGKRZSA-N -1 1 392.423 1.210 20 0 GDADMM CC(=O)c1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cc1 ZINC000819833567 606829432 /nfs/dbraw/zinc/82/94/32/606829432.db2.gz HHMKXAURIJSAML-LBPRGKRZSA-N -1 1 392.423 1.210 20 0 GDADMM CCO[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1(C)C ZINC000821360392 606845079 /nfs/dbraw/zinc/84/50/79/606845079.db2.gz RARBMDYELFNTOY-ZIAGYGMSSA-N -1 1 383.449 1.830 20 0 GDADMM CCc1cnc(CN(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)s1 ZINC000821497733 606845215 /nfs/dbraw/zinc/84/52/15/606845215.db2.gz YNVBAJXZVITUPU-UHFFFAOYSA-N -1 1 382.446 1.845 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C(C)(C)c1cccs1 ZINC000820776968 606854846 /nfs/dbraw/zinc/85/48/46/606854846.db2.gz OJIVVXHAKKOUPD-LBPRGKRZSA-N -1 1 398.496 1.733 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C(C)(C)c1cccs1 ZINC000820776968 606854847 /nfs/dbraw/zinc/85/48/47/606854847.db2.gz OJIVVXHAKKOUPD-LBPRGKRZSA-N -1 1 398.496 1.733 20 0 GDADMM CCO[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C12CCC2 ZINC000821357155 606874575 /nfs/dbraw/zinc/87/45/75/606874575.db2.gz AQSBRVDYNYYXDP-HUUCEWRRSA-N -1 1 395.460 1.974 20 0 GDADMM O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823154577 606905300 /nfs/dbraw/zinc/90/53/00/606905300.db2.gz GXFTVJZDUKUYFN-SECBINFHSA-N -1 1 375.845 1.985 20 0 GDADMM O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823154577 606905302 /nfs/dbraw/zinc/90/53/02/606905302.db2.gz GXFTVJZDUKUYFN-SECBINFHSA-N -1 1 375.845 1.985 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2CCN(c3ncccc3Cl)C2)n1 ZINC000822614020 606908323 /nfs/dbraw/zinc/90/83/23/606908323.db2.gz IGQLPLAAJULSQM-VIFPVBQESA-N -1 1 388.823 1.049 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2CCN(c3ncccc3Cl)C2)n1 ZINC000822614020 606908324 /nfs/dbraw/zinc/90/83/24/606908324.db2.gz IGQLPLAAJULSQM-VIFPVBQESA-N -1 1 388.823 1.049 20 0 GDADMM COc1ccc(-c2noc(CCC(=O)Nc3ncc(-c4nnn[n-]4)s3)n2)cc1 ZINC000821766421 607024196 /nfs/dbraw/zinc/02/41/96/607024196.db2.gz WPEMMLUGLTWOLK-UHFFFAOYSA-N -1 1 398.408 1.953 20 0 GDADMM COc1ccc(-c2noc(CCC(=O)Nc3ncc(-c4nn[n-]n4)s3)n2)cc1 ZINC000821766421 607024198 /nfs/dbraw/zinc/02/41/98/607024198.db2.gz WPEMMLUGLTWOLK-UHFFFAOYSA-N -1 1 398.408 1.953 20 0 GDADMM C[C@]1([C@@H]2CCCN(c3cc(-c4nnn[n-]4)nc4ccccc43)C2)NC(=O)NC1=O ZINC000820613059 607028792 /nfs/dbraw/zinc/02/87/92/607028792.db2.gz REMAMRWCMPMVCE-NSPYISDASA-N -1 1 392.423 1.229 20 0 GDADMM C[C@]1([C@@H]2CCCN(c3cc(-c4nn[n-]n4)nc4ccccc43)C2)NC(=O)NC1=O ZINC000820613059 607028794 /nfs/dbraw/zinc/02/87/94/607028794.db2.gz REMAMRWCMPMVCE-NSPYISDASA-N -1 1 392.423 1.229 20 0 GDADMM C[C@@]1([C@H]2CCCN(c3cc(-c4nnn[n-]4)nc4ccccc43)C2)NC(=O)NC1=O ZINC000820613060 607029043 /nfs/dbraw/zinc/02/90/43/607029043.db2.gz REMAMRWCMPMVCE-WLRWDXFRSA-N -1 1 392.423 1.229 20 0 GDADMM C[C@@]1([C@H]2CCCN(c3cc(-c4nn[n-]n4)nc4ccccc43)C2)NC(=O)NC1=O ZINC000820613060 607029045 /nfs/dbraw/zinc/02/90/45/607029045.db2.gz REMAMRWCMPMVCE-WLRWDXFRSA-N -1 1 392.423 1.229 20 0 GDADMM CC(=O)c1cccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1 ZINC000819844671 607061652 /nfs/dbraw/zinc/06/16/52/607061652.db2.gz KPBHUIXEZPBEOT-LBPRGKRZSA-N -1 1 392.423 1.210 20 0 GDADMM CC(=O)c1cccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1 ZINC000819844671 607061653 /nfs/dbraw/zinc/06/16/53/607061653.db2.gz KPBHUIXEZPBEOT-LBPRGKRZSA-N -1 1 392.423 1.210 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCC[C@@H](C)[S@@](C)=O ZINC000822541768 607099146 /nfs/dbraw/zinc/09/91/46/607099146.db2.gz QHTYDKBUTBZDHM-AFNXNYLOSA-N -1 1 376.442 1.446 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCC[C@@H](C)[S@@](C)=O ZINC000822541768 607099147 /nfs/dbraw/zinc/09/91/47/607099147.db2.gz QHTYDKBUTBZDHM-AFNXNYLOSA-N -1 1 376.442 1.446 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)Nc2ncc(-c3nnn[n-]3)s2)C1 ZINC000819933156 607102409 /nfs/dbraw/zinc/10/24/09/607102409.db2.gz HWSAXMSTPBLCKR-OAHLLOKOSA-N -1 1 379.446 1.909 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)Nc2ncc(-c3nn[n-]n3)s2)C1 ZINC000819933156 607102412 /nfs/dbraw/zinc/10/24/12/607102412.db2.gz HWSAXMSTPBLCKR-OAHLLOKOSA-N -1 1 379.446 1.909 20 0 GDADMM O=C(CCC(=O)N1CC(=O)Nc2ccccc21)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822945362 607103391 /nfs/dbraw/zinc/10/33/91/607103391.db2.gz BZTUWJRHLMGVCR-UHFFFAOYSA-N -1 1 398.408 1.027 20 0 GDADMM O=C(CCC(=O)N1CC(=O)Nc2ccccc21)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822945362 607103393 /nfs/dbraw/zinc/10/33/93/607103393.db2.gz BZTUWJRHLMGVCR-UHFFFAOYSA-N -1 1 398.408 1.027 20 0 GDADMM COc1ccc(CN2C[C@@H](C(=O)Nc3ncc(-c4nnn[n-]4)s3)CC2=O)cc1 ZINC000821795417 607105855 /nfs/dbraw/zinc/10/58/55/607105855.db2.gz ZIIQNUSVFLQONT-NSHDSACASA-N -1 1 399.436 1.319 20 0 GDADMM COc1ccc(CN2C[C@@H](C(=O)Nc3ncc(-c4nn[n-]n4)s3)CC2=O)cc1 ZINC000821795417 607105856 /nfs/dbraw/zinc/10/58/56/607105856.db2.gz ZIIQNUSVFLQONT-NSHDSACASA-N -1 1 399.436 1.319 20 0 GDADMM O=C(CCC(=O)N1CCc2sccc2C1)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822946181 607107165 /nfs/dbraw/zinc/10/71/65/607107165.db2.gz WPUQDPHHUZCTLP-UHFFFAOYSA-N -1 1 389.466 1.688 20 0 GDADMM O=C(CCC(=O)N1CCc2sccc2C1)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822946181 607107167 /nfs/dbraw/zinc/10/71/67/607107167.db2.gz WPUQDPHHUZCTLP-UHFFFAOYSA-N -1 1 389.466 1.688 20 0 GDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000823380322 607107311 /nfs/dbraw/zinc/10/73/11/607107311.db2.gz WEHICGRJTUYNLQ-ZETCQYMHSA-N -1 1 391.363 1.593 20 0 GDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000823380322 607107313 /nfs/dbraw/zinc/10/73/13/607107313.db2.gz WEHICGRJTUYNLQ-ZETCQYMHSA-N -1 1 391.363 1.593 20 0 GDADMM O=C(CNC(=O)Cc1cccc2ccccc21)Nc1ncc(-c2nnn[n-]2)s1 ZINC000823111990 607108794 /nfs/dbraw/zinc/10/87/94/607108794.db2.gz QGCOTYPCMDQTAS-UHFFFAOYSA-N -1 1 393.432 1.774 20 0 GDADMM O=C(CNC(=O)Cc1cccc2ccccc21)Nc1ncc(-c2nn[n-]n2)s1 ZINC000823111990 607108796 /nfs/dbraw/zinc/10/87/96/607108796.db2.gz QGCOTYPCMDQTAS-UHFFFAOYSA-N -1 1 393.432 1.774 20 0 GDADMM CCS[C@H](C)c1noc(Cn2nc(CC)c(CC)c(-c3nn[n-]n3)c2=O)n1 ZINC000821449487 607167336 /nfs/dbraw/zinc/16/73/36/607167336.db2.gz UIPKUILXTQNJRO-SECBINFHSA-N -1 1 390.473 1.794 20 0 GDADMM C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1c(Cl)ccc(F)c1Cl ZINC000820333435 607208739 /nfs/dbraw/zinc/20/87/39/607208739.db2.gz BPCVDJDHNAOMGH-ZCFIWIBFSA-N -1 1 385.190 1.782 20 0 GDADMM CC(C)(C)c1ccc(-c2nc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)n[nH]2)cc1 ZINC000819958791 607210872 /nfs/dbraw/zinc/21/08/72/607210872.db2.gz QCQWSKAIHUWXNJ-UHFFFAOYSA-N -1 1 393.415 1.180 20 0 GDADMM Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822167738 607211242 /nfs/dbraw/zinc/21/12/42/607211242.db2.gz HEQWDZXOPQXSCE-UHFFFAOYSA-N -1 1 395.427 1.078 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCCc1cccc(C(F)(F)F)c1 ZINC000823132062 607211624 /nfs/dbraw/zinc/21/16/24/607211624.db2.gz XQRXISBRJWOULH-UHFFFAOYSA-N -1 1 380.334 1.226 20 0 GDADMM CC(C)Cc1ccc([C@@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)C2CC2)cc1 ZINC000820108519 607212279 /nfs/dbraw/zinc/21/22/79/607212279.db2.gz LRSJLHXVCFSVRO-QGZVFWFLSA-N -1 1 380.456 1.924 20 0 GDADMM CC(C)Cc1ccc([C@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)C2CC2)cc1 ZINC000820108518 607212354 /nfs/dbraw/zinc/21/23/54/607212354.db2.gz LRSJLHXVCFSVRO-KRWDZBQOSA-N -1 1 380.456 1.924 20 0 GDADMM COc1ccccc1[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000821882781 607215249 /nfs/dbraw/zinc/21/52/49/607215249.db2.gz KOKJUAISPAGODD-KRWDZBQOSA-N -1 1 390.407 1.373 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCc1nc(C2CCCCC2)cs1 ZINC000823131894 607216224 /nfs/dbraw/zinc/21/62/24/607216224.db2.gz PMFKTXGLHBCYNJ-UHFFFAOYSA-N -1 1 387.473 1.321 20 0 GDADMM CCCNc1ccc(C(F)(F)F)cc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821128263 607222831 /nfs/dbraw/zinc/22/28/31/607222831.db2.gz SHPSADNRRYBBGN-UHFFFAOYSA-N -1 1 395.349 1.938 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1c(-c2cccs2)nc2ccccn21 ZINC000823131030 607238727 /nfs/dbraw/zinc/23/87/27/607238727.db2.gz AYZIHAYRGXARIN-UHFFFAOYSA-N -1 1 392.408 1.473 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1cnc(N(C)C)nc1 ZINC000826232803 607775418 /nfs/dbraw/zinc/77/54/18/607775418.db2.gz JBYYBJGMWJUYAY-UHFFFAOYSA-N -1 1 383.416 1.011 20 0 GDADMM COc1ccnc(CNC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)c1 ZINC000826221142 607792411 /nfs/dbraw/zinc/79/24/11/607792411.db2.gz QWQOVRZPYGXBIB-UHFFFAOYSA-N -1 1 383.412 1.237 20 0 GDADMM Cc1ccc(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)nc1 ZINC000826281594 607805021 /nfs/dbraw/zinc/80/50/21/607805021.db2.gz BAJSXOGPPMDBFP-UHFFFAOYSA-N -1 1 380.412 1.398 20 0 GDADMM O=C(NC[C@@]1(O)CCOC1)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826434409 607862311 /nfs/dbraw/zinc/86/23/11/607862311.db2.gz MBTSUSAVILLMSN-IBGZPJMESA-N -1 1 399.382 1.679 20 0 GDADMM O=C(NC[C@@]1(O)CCOC1)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826434409 607862312 /nfs/dbraw/zinc/86/23/12/607862312.db2.gz MBTSUSAVILLMSN-IBGZPJMESA-N -1 1 399.382 1.679 20 0 GDADMM CN(C)S(=O)(=O)c1cccc(COc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000825875455 607865905 /nfs/dbraw/zinc/86/59/05/607865905.db2.gz QDYNMGKEGSTAIP-UHFFFAOYSA-N -1 1 377.401 1.835 20 0 GDADMM CN(C)S(=O)(=O)c1cccc(COc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000825875455 607865906 /nfs/dbraw/zinc/86/59/06/607865906.db2.gz QDYNMGKEGSTAIP-UHFFFAOYSA-N -1 1 377.401 1.835 20 0 GDADMM CNC(=O)c1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826067894 607867482 /nfs/dbraw/zinc/86/74/82/607867482.db2.gz MWUQRTJTTZIKQT-UHFFFAOYSA-N -1 1 377.357 1.133 20 0 GDADMM CNC(=O)c1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826067894 607867483 /nfs/dbraw/zinc/86/74/83/607867483.db2.gz MWUQRTJTTZIKQT-UHFFFAOYSA-N -1 1 377.357 1.133 20 0 GDADMM COc1cc(OC)cc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826181092 607867761 /nfs/dbraw/zinc/86/77/61/607867761.db2.gz KODNOACMEJEOSJ-UHFFFAOYSA-N -1 1 380.357 1.791 20 0 GDADMM COc1cc(OC)cc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826181092 607867762 /nfs/dbraw/zinc/86/77/62/607867762.db2.gz KODNOACMEJEOSJ-UHFFFAOYSA-N -1 1 380.357 1.791 20 0 GDADMM CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)c1cccc(-c2nnn[n-]2)n1 ZINC000825394414 607894422 /nfs/dbraw/zinc/89/44/22/607894422.db2.gz CICIBHPCUKOJHJ-UHFFFAOYSA-N -1 1 380.412 1.685 20 0 GDADMM CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)c1cccc(-c2nn[n-]n2)n1 ZINC000825394414 607894423 /nfs/dbraw/zinc/89/44/23/607894423.db2.gz CICIBHPCUKOJHJ-UHFFFAOYSA-N -1 1 380.412 1.685 20 0 GDADMM O=C(C1CC1)N1CCN(c2ccc(Nc3cccc(-c4nn[n-]n4)n3)cn2)CC1 ZINC000826397730 607898342 /nfs/dbraw/zinc/89/83/42/607898342.db2.gz JQGOMVNKKVLFTE-UHFFFAOYSA-N -1 1 391.439 1.459 20 0 GDADMM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc([S@](C)=O)cc1 ZINC000824640410 607906023 /nfs/dbraw/zinc/90/60/23/607906023.db2.gz HWURKJWSGYXFTI-FORDYWAESA-N -1 1 392.466 1.039 20 0 GDADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc([S@](C)=O)cc1 ZINC000824640410 607906024 /nfs/dbraw/zinc/90/60/24/607906024.db2.gz HWURKJWSGYXFTI-FORDYWAESA-N -1 1 392.466 1.039 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(C)c1ccc2c(c1)OCO2 ZINC000826233125 607916939 /nfs/dbraw/zinc/91/69/39/607916939.db2.gz UVGATGNSTMCHDF-UHFFFAOYSA-N -1 1 396.407 1.908 20 0 GDADMM CN1Cc2ccccc2[C@@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000826052186 607938056 /nfs/dbraw/zinc/93/80/56/607938056.db2.gz PIJWRCPXRRQCQV-AWEZNQCLSA-N -1 1 388.428 1.471 20 0 GDADMM CN1Cc2ccccc2[C@@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000826052186 607938057 /nfs/dbraw/zinc/93/80/57/607938057.db2.gz PIJWRCPXRRQCQV-AWEZNQCLSA-N -1 1 388.428 1.471 20 0 GDADMM CC(C)Cc1nc(-c2nn[n-]n2)c(NNC(=S)NC[C@@H]2CCCCO2)o1 ZINC000824279988 607967317 /nfs/dbraw/zinc/96/73/17/607967317.db2.gz AIACTQDDJJRNNR-JTQLQIEISA-N -1 1 380.478 1.413 20 0 GDADMM CC(C)c1ccc([C@H]2CCCN2c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1 ZINC000824347706 607968430 /nfs/dbraw/zinc/96/84/30/607968430.db2.gz LAJPBTJRSHBEQR-OAHLLOKOSA-N -1 1 395.467 1.729 20 0 GDADMM COCC1(O)CCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)CC1 ZINC000826153158 608008049 /nfs/dbraw/zinc/00/80/49/608008049.db2.gz DEILDJALRBAIQU-UHFFFAOYSA-N -1 1 386.412 1.172 20 0 GDADMM COCC1(O)CCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)CC1 ZINC000826153158 608008050 /nfs/dbraw/zinc/00/80/50/608008050.db2.gz DEILDJALRBAIQU-UHFFFAOYSA-N -1 1 386.412 1.172 20 0 GDADMM CN(C(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1)[C@@H]1CCNC1=O ZINC000825830548 608010409 /nfs/dbraw/zinc/01/04/09/608010409.db2.gz VQNUKJIDOOQIHX-CQSZACIVSA-N -1 1 396.382 1.759 20 0 GDADMM CN(C(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1)[C@@H]1CCNC1=O ZINC000825830548 608010410 /nfs/dbraw/zinc/01/04/10/608010410.db2.gz VQNUKJIDOOQIHX-CQSZACIVSA-N -1 1 396.382 1.759 20 0 GDADMM Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)Cn1ccnc1-c1nnn[n-]1 ZINC000826281125 608012691 /nfs/dbraw/zinc/01/26/91/608012691.db2.gz GAPVKBLIUJGXDM-UHFFFAOYSA-N -1 1 377.412 1.813 20 0 GDADMM Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)Cn1ccnc1-c1nn[n-]n1 ZINC000826281125 608012692 /nfs/dbraw/zinc/01/26/92/608012692.db2.gz GAPVKBLIUJGXDM-UHFFFAOYSA-N -1 1 377.412 1.813 20 0 GDADMM Cc1oc(NC(=O)COC(=O)[C@H]2CCC(=O)C[C@H]2C)c(-c2nn[n-]n2)c1C ZINC000826342707 608030077 /nfs/dbraw/zinc/03/00/77/608030077.db2.gz WVCSNDPAMFNWNQ-PELKAZGASA-N -1 1 375.385 1.564 20 0 GDADMM CC(C)(C)OC(=O)N1CCC2(C[C@@H]2C(=O)n2ncc(-c3nn[n-]n3)c2N)CC1 ZINC000824103677 608119557 /nfs/dbraw/zinc/11/95/57/608119557.db2.gz GYXMEOIQHNAJDG-LLVKDONJSA-N -1 1 388.432 1.323 20 0 GDADMM CN1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)[C@H]1c1ccc(F)c(F)c1 ZINC000826029257 608121305 /nfs/dbraw/zinc/12/13/05/608121305.db2.gz RDFZHTBAFBGQKQ-GOEBONIOSA-N -1 1 385.378 1.715 20 0 GDADMM Cc1cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cc(C)c1F ZINC000826258162 608156125 /nfs/dbraw/zinc/15/61/25/608156125.db2.gz CDHOQAJYSJSUSH-CYBMUJFWSA-N -1 1 396.430 1.764 20 0 GDADMM Cc1cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cc(C)c1F ZINC000826258162 608156126 /nfs/dbraw/zinc/15/61/26/608156126.db2.gz CDHOQAJYSJSUSH-CYBMUJFWSA-N -1 1 396.430 1.764 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N[C@H]1CC12CCCCC2 ZINC000825000454 608164652 /nfs/dbraw/zinc/16/46/52/608164652.db2.gz QRGKQRQRRYUTRH-KGLIPLIRSA-N -1 1 397.487 1.600 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N[C@H]1CC12CCCCC2 ZINC000825000454 608164653 /nfs/dbraw/zinc/16/46/53/608164653.db2.gz QRGKQRQRRYUTRH-KGLIPLIRSA-N -1 1 397.487 1.600 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cc2cc(F)ccc2o1 ZINC000825934357 608211719 /nfs/dbraw/zinc/21/17/19/608211719.db2.gz NZUDJKKWICBLPS-UHFFFAOYSA-N -1 1 384.375 1.762 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cc2cc(F)ccc2o1 ZINC000825934357 608211720 /nfs/dbraw/zinc/21/17/20/608211720.db2.gz NZUDJKKWICBLPS-UHFFFAOYSA-N -1 1 384.375 1.762 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@]1(C)CCCc2ccccc21 ZINC000825923290 608212675 /nfs/dbraw/zinc/21/26/75/608212675.db2.gz FSWWRAIWOLEDHW-HXUWFJFHSA-N -1 1 394.483 1.857 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@]1(C)CCCc2ccccc21 ZINC000825923290 608212677 /nfs/dbraw/zinc/21/26/77/608212677.db2.gz FSWWRAIWOLEDHW-HXUWFJFHSA-N -1 1 394.483 1.857 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CC(C)(C)c1ccccc1 ZINC000825923593 608212766 /nfs/dbraw/zinc/21/27/66/608212766.db2.gz NPPHCMFUDYDHKT-UHFFFAOYSA-N -1 1 382.472 1.931 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CC(C)(C)c1ccccc1 ZINC000825923593 608212768 /nfs/dbraw/zinc/21/27/68/608212768.db2.gz NPPHCMFUDYDHKT-UHFFFAOYSA-N -1 1 382.472 1.931 20 0 GDADMM CC[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)[C@@H](O)C(F)(F)F ZINC000825149312 608237925 /nfs/dbraw/zinc/23/79/25/608237925.db2.gz XIMRXBQZNHVUDN-GMSGAONNSA-N -1 1 399.782 1.500 20 0 GDADMM Cc1nn(C)c(C)c1[C@@H]1COCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000826333510 608241536 /nfs/dbraw/zinc/24/15/36/608241536.db2.gz KOPWXOWWAWBOND-VIFPVBQESA-N -1 1 380.865 1.905 20 0 GDADMM Cc1nn(C)c(C)c1[C@@H]1COCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000826333510 608241538 /nfs/dbraw/zinc/24/15/38/608241538.db2.gz KOPWXOWWAWBOND-VIFPVBQESA-N -1 1 380.865 1.905 20 0 GDADMM Cc1oc(NC(=O)COC(=O)Cc2ccc(C)c(O)c2)c(-c2nn[n-]n2)c1C ZINC000826286763 608257046 /nfs/dbraw/zinc/25/70/46/608257046.db2.gz PKHJUURZANWVOY-UHFFFAOYSA-N -1 1 385.380 1.815 20 0 GDADMM COCCCOCCN(C)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826157238 608308745 /nfs/dbraw/zinc/30/87/45/608308745.db2.gz MNRACTBCFTWKBC-UHFFFAOYSA-N -1 1 389.865 1.194 20 0 GDADMM COCCCOCCN(C)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826157238 608308747 /nfs/dbraw/zinc/30/87/47/608308747.db2.gz MNRACTBCFTWKBC-UHFFFAOYSA-N -1 1 389.865 1.194 20 0 GDADMM Cc1nn(-c2ccccc2)c(CN2CC(=O)N[C@H]3CCCC[C@@H]32)c1-c1nn[n-]n1 ZINC000826332026 608317420 /nfs/dbraw/zinc/31/74/20/608317420.db2.gz HMDJQCLJWZTHPV-HOTGVXAUSA-N -1 1 392.467 1.604 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCCC2=CCCCC2)n1 ZINC000824147558 608338416 /nfs/dbraw/zinc/33/84/16/608338416.db2.gz FEUMCHATVJNRHS-UHFFFAOYSA-N -1 1 386.460 1.763 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCCC2=CCCCC2)n1 ZINC000824147558 608338417 /nfs/dbraw/zinc/33/84/17/608338417.db2.gz FEUMCHATVJNRHS-UHFFFAOYSA-N -1 1 386.460 1.763 20 0 GDADMM C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C1 ZINC000824843681 608343699 /nfs/dbraw/zinc/34/36/99/608343699.db2.gz JPPMZDGZGJNIAF-CYBMUJFWSA-N -1 1 391.375 1.421 20 0 GDADMM C[C@H](c1ccncc1)N(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824771123 608350749 /nfs/dbraw/zinc/35/07/49/608350749.db2.gz PAMIIBPVOFJVSX-LLVKDONJSA-N -1 1 397.443 1.371 20 0 GDADMM C[C@H](c1ccncc1)N(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824771123 608350750 /nfs/dbraw/zinc/35/07/50/608350750.db2.gz PAMIIBPVOFJVSX-LLVKDONJSA-N -1 1 397.443 1.371 20 0 GDADMM C[C@@H]1[C@H](C)SCCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825020792 608353725 /nfs/dbraw/zinc/35/37/25/608353725.db2.gz LUMVYBNHRUSSEW-ZJUUUORDSA-N -1 1 392.489 1.109 20 0 GDADMM C[C@@H]1[C@H](C)SCCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825020792 608353727 /nfs/dbraw/zinc/35/37/27/608353727.db2.gz LUMVYBNHRUSSEW-ZJUUUORDSA-N -1 1 392.489 1.109 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N[C@H]2CCCCC2(C)C)n1 ZINC000824802442 608356123 /nfs/dbraw/zinc/35/61/23/608356123.db2.gz MYSXUMUDJGCCKD-LBPRGKRZSA-N -1 1 388.476 1.842 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N[C@H]2CCCCC2(C)C)n1 ZINC000824802442 608356125 /nfs/dbraw/zinc/35/61/25/608356125.db2.gz MYSXUMUDJGCCKD-LBPRGKRZSA-N -1 1 388.476 1.842 20 0 GDADMM CSC[C@H]1CCCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826228458 608359279 /nfs/dbraw/zinc/35/92/79/608359279.db2.gz PJQWGPQCTNXGPL-SNVBAGLBSA-N -1 1 392.489 1.111 20 0 GDADMM CSC[C@H]1CCCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826228458 608359281 /nfs/dbraw/zinc/35/92/81/608359281.db2.gz PJQWGPQCTNXGPL-SNVBAGLBSA-N -1 1 392.489 1.111 20 0 GDADMM NS(=O)(=O)c1cccc(CNc2cc(-c3nnn[n-]3)nc3ccccc32)c1 ZINC000826394891 608366655 /nfs/dbraw/zinc/36/66/55/608366655.db2.gz CWIGCGWPGLGQEY-UHFFFAOYSA-N -1 1 381.421 1.674 20 0 GDADMM NS(=O)(=O)c1cccc(CNc2cc(-c3nn[n-]n3)nc3ccccc32)c1 ZINC000826394891 608366658 /nfs/dbraw/zinc/36/66/58/608366658.db2.gz CWIGCGWPGLGQEY-UHFFFAOYSA-N -1 1 381.421 1.674 20 0 GDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CSc1cccc(Br)c1 ZINC000826395079 608385942 /nfs/dbraw/zinc/38/59/42/608385942.db2.gz MBAPMEJMQWLIAH-UHFFFAOYSA-N -1 1 380.231 1.840 20 0 GDADMM Cn1c(=O)c2c3c(sc2nc1Sc1ccc(-c2nnn[n-]2)nn1)CCCC3 ZINC000826356450 608390781 /nfs/dbraw/zinc/39/07/81/608390781.db2.gz RECSWLKRBLWUNX-UHFFFAOYSA-N -1 1 398.477 1.995 20 0 GDADMM Cn1c(=O)c2c3c(sc2nc1Sc1ccc(-c2nn[n-]n2)nn1)CCCC3 ZINC000826356450 608390783 /nfs/dbraw/zinc/39/07/83/608390783.db2.gz RECSWLKRBLWUNX-UHFFFAOYSA-N -1 1 398.477 1.995 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1ccc(F)cc1F ZINC000825930727 608408329 /nfs/dbraw/zinc/40/83/29/608408329.db2.gz XLDAAZKXNUJGGM-UHFFFAOYSA-N -1 1 377.359 1.547 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1ccc(F)cc1F ZINC000825930727 608408330 /nfs/dbraw/zinc/40/83/30/608408330.db2.gz XLDAAZKXNUJGGM-UHFFFAOYSA-N -1 1 377.359 1.547 20 0 GDADMM OC[C@@H](c1ccc(Cl)cc1)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826508338 608418745 /nfs/dbraw/zinc/41/87/45/608418745.db2.gz MWKSAHLEYJWRJF-HNNXBMFYSA-N -1 1 386.847 1.166 20 0 GDADMM OC[C@@H](c1ccc(Cl)cc1)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826508338 608418746 /nfs/dbraw/zinc/41/87/46/608418746.db2.gz MWKSAHLEYJWRJF-HNNXBMFYSA-N -1 1 386.847 1.166 20 0 GDADMM Cc1oc(NC(=O)[C@H](C)N(C)C[C@H](O)C(F)(F)F)c(-c2nn[n-]n2)c1C ZINC000826340814 608420964 /nfs/dbraw/zinc/42/09/64/608420964.db2.gz LXAAUGBDOMJJBS-CBAPKCEASA-N -1 1 376.339 1.259 20 0 GDADMM O=C1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CN1c1cccc(C(F)(F)F)c1 ZINC000826478627 608429935 /nfs/dbraw/zinc/42/99/35/608429935.db2.gz GYQIIZNTRYKKJA-SNVBAGLBSA-N -1 1 390.329 1.893 20 0 GDADMM O=C1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CN1c1cccc(C(F)(F)F)c1 ZINC000826478627 608429937 /nfs/dbraw/zinc/42/99/37/608429937.db2.gz GYQIIZNTRYKKJA-SNVBAGLBSA-N -1 1 390.329 1.893 20 0 GDADMM COc1cc(OC)cc(N2CC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC000826181416 608431562 /nfs/dbraw/zinc/43/15/62/608431562.db2.gz YOGCZMMXCNSDHF-GFCCVEGCSA-N -1 1 382.428 1.612 20 0 GDADMM COc1cc(OC)cc(N2CC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC000826181416 608431563 /nfs/dbraw/zinc/43/15/63/608431563.db2.gz YOGCZMMXCNSDHF-GFCCVEGCSA-N -1 1 382.428 1.612 20 0 GDADMM CCCN(CC(=O)Nc1ccc(F)c(F)c1F)c1ccc(-c2nnn[n-]2)nn1 ZINC000825307646 608433695 /nfs/dbraw/zinc/43/36/95/608433695.db2.gz JDMCGDXAKHCSDX-UHFFFAOYSA-N -1 1 392.345 1.929 20 0 GDADMM CCCN(CC(=O)Nc1ccc(F)c(F)c1F)c1ccc(-c2nn[n-]n2)nn1 ZINC000825307646 608433696 /nfs/dbraw/zinc/43/36/96/608433696.db2.gz JDMCGDXAKHCSDX-UHFFFAOYSA-N -1 1 392.345 1.929 20 0 GDADMM CN1C(=O)C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000826010255 608437534 /nfs/dbraw/zinc/43/75/34/608437534.db2.gz GBDMZQYDYIJSLR-IUODEOHRSA-N -1 1 388.794 1.833 20 0 GDADMM CN1C(=O)C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000826010255 608437536 /nfs/dbraw/zinc/43/75/36/608437536.db2.gz GBDMZQYDYIJSLR-IUODEOHRSA-N -1 1 388.794 1.833 20 0 GDADMM O=C(CSc1ccc(-c2nn[nH]n2)cc1)OCCC[N-]C(=O)C(F)(F)F ZINC000826421180 608447012 /nfs/dbraw/zinc/44/70/12/608447012.db2.gz VJTCETRWICKNLP-UHFFFAOYSA-N -1 1 389.359 1.571 20 0 GDADMM Nc1nc(CN2CCN(Cc3ccc(-c4nnn[n-]4)o3)CC2)nc2ccccc12 ZINC000826395951 608507882 /nfs/dbraw/zinc/50/78/82/608507882.db2.gz AAMMKBKRNDMLRB-UHFFFAOYSA-N -1 1 391.439 1.303 20 0 GDADMM Nc1nc(CN2CCN(Cc3ccc(-c4nn[n-]n4)o3)CC2)nc2ccccc12 ZINC000826395951 608507883 /nfs/dbraw/zinc/50/78/83/608507883.db2.gz AAMMKBKRNDMLRB-UHFFFAOYSA-N -1 1 391.439 1.303 20 0 GDADMM COCc1ccccc1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826165336 608549002 /nfs/dbraw/zinc/54/90/02/608549002.db2.gz PMQQKYFWCZBPOT-UHFFFAOYSA-N -1 1 385.432 1.415 20 0 GDADMM COCc1ccccc1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826165336 608549004 /nfs/dbraw/zinc/54/90/04/608549004.db2.gz PMQQKYFWCZBPOT-UHFFFAOYSA-N -1 1 385.432 1.415 20 0 GDADMM C[C@H](Cc1cccc(F)c1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824457336 608556451 /nfs/dbraw/zinc/55/64/51/608556451.db2.gz KBNZVFMQBUDSOP-LLVKDONJSA-N -1 1 386.435 1.581 20 0 GDADMM C[C@H](Cc1cccc(F)c1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824457336 608556452 /nfs/dbraw/zinc/55/64/52/608556452.db2.gz KBNZVFMQBUDSOP-LLVKDONJSA-N -1 1 386.435 1.581 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Cc1cc(F)c(F)cc1F ZINC000825929809 608557036 /nfs/dbraw/zinc/55/70/36/608557036.db2.gz KCKQTDLXVQMCKO-UHFFFAOYSA-N -1 1 394.361 1.223 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Cc1cc(F)c(F)cc1F ZINC000825929809 608557037 /nfs/dbraw/zinc/55/70/37/608557037.db2.gz KCKQTDLXVQMCKO-UHFFFAOYSA-N -1 1 394.361 1.223 20 0 GDADMM Cc1noc(C(F)F)c1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826337940 608557250 /nfs/dbraw/zinc/55/72/50/608557250.db2.gz GFQAHUKNBVMTQN-UHFFFAOYSA-N -1 1 381.347 1.111 20 0 GDADMM Cc1noc(C(F)F)c1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826337940 608557252 /nfs/dbraw/zinc/55/72/52/608557252.db2.gz GFQAHUKNBVMTQN-UHFFFAOYSA-N -1 1 381.347 1.111 20 0 GDADMM c1cc(-c2nnn[n-]2)oc1CN1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000826519935 608561054 /nfs/dbraw/zinc/56/10/54/608561054.db2.gz VAFLBECBNKXWIS-UHFFFAOYSA-N -1 1 392.423 1.828 20 0 GDADMM c1cc(-c2nn[n-]n2)oc1CN1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000826519935 608561056 /nfs/dbraw/zinc/56/10/56/608561056.db2.gz VAFLBECBNKXWIS-UHFFFAOYSA-N -1 1 392.423 1.828 20 0 GDADMM C[C@H](CCO)C1(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCC1 ZINC000824406113 608589887 /nfs/dbraw/zinc/58/98/87/608589887.db2.gz CXBGKLCRFKBYCX-LLVKDONJSA-N -1 1 383.449 1.473 20 0 GDADMM C[C@H](CCO)C1(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCC1 ZINC000824406113 608589889 /nfs/dbraw/zinc/58/98/89/608589889.db2.gz CXBGKLCRFKBYCX-LLVKDONJSA-N -1 1 383.449 1.473 20 0 GDADMM COc1ccc(OC)c([C@@H]2CCCN2C(=O)Cn2ccnc2-c2nnn[n-]2)c1 ZINC000826211092 608889233 /nfs/dbraw/zinc/88/92/33/608889233.db2.gz OVTAYXLLRMKPLR-AWEZNQCLSA-N -1 1 383.412 1.444 20 0 GDADMM COc1ccc(OC)c([C@@H]2CCCN2C(=O)Cn2ccnc2-c2nn[n-]n2)c1 ZINC000826211092 608889235 /nfs/dbraw/zinc/88/92/35/608889235.db2.gz OVTAYXLLRMKPLR-AWEZNQCLSA-N -1 1 383.412 1.444 20 0 GDADMM COCC[C@H](NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)c1ccco1 ZINC000826153799 609177196 /nfs/dbraw/zinc/17/71/96/609177196.db2.gz AFVBCNCJFORGKU-NSHDSACASA-N -1 1 390.425 1.790 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@@H](OC(F)F)C1 ZINC000826233234 609292237 /nfs/dbraw/zinc/29/22/37/609292237.db2.gz YYJVOSXAPGZYPM-LLVKDONJSA-N -1 1 396.398 1.747 20 0 GDADMM C[C@H](CCc1ccccc1)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824407037 609298347 /nfs/dbraw/zinc/29/83/47/609298347.db2.gz UTCBYQGJZNDVAM-CYBMUJFWSA-N -1 1 397.487 1.767 20 0 GDADMM C[C@H](CCc1ccccc1)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824407037 609298349 /nfs/dbraw/zinc/29/83/49/609298349.db2.gz UTCBYQGJZNDVAM-CYBMUJFWSA-N -1 1 397.487 1.767 20 0 GDADMM C[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1cccs1 ZINC000824491384 609298384 /nfs/dbraw/zinc/29/83/84/609298384.db2.gz UDVWPRLKBVWZOX-SECBINFHSA-N -1 1 375.462 1.569 20 0 GDADMM C[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1cccs1 ZINC000824491384 609298386 /nfs/dbraw/zinc/29/83/86/609298386.db2.gz UDVWPRLKBVWZOX-SECBINFHSA-N -1 1 375.462 1.569 20 0 GDADMM CC(C)CCC[C@@H](C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824243740 609298628 /nfs/dbraw/zinc/29/86/28/609298628.db2.gz NHGJQGIPUWXRPL-GFCCVEGCSA-N -1 1 377.497 1.961 20 0 GDADMM CC(C)CCC[C@@H](C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824243740 609298629 /nfs/dbraw/zinc/29/86/29/609298629.db2.gz NHGJQGIPUWXRPL-GFCCVEGCSA-N -1 1 377.497 1.961 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000825929564 609298805 /nfs/dbraw/zinc/29/88/05/609298805.db2.gz IJLAZXZONUEIJY-UHFFFAOYSA-N -1 1 399.503 1.571 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000825929564 609298807 /nfs/dbraw/zinc/29/88/07/609298807.db2.gz IJLAZXZONUEIJY-UHFFFAOYSA-N -1 1 399.503 1.571 20 0 GDADMM Cc1ccc(OCCNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000826291947 609299722 /nfs/dbraw/zinc/29/97/22/609299722.db2.gz CEDKWTQOQGOUST-UHFFFAOYSA-N -1 1 399.459 1.133 20 0 GDADMM Cc1ccc(OCCNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000826291947 609299723 /nfs/dbraw/zinc/29/97/23/609299723.db2.gz CEDKWTQOQGOUST-UHFFFAOYSA-N -1 1 399.459 1.133 20 0 GDADMM C[C@H]1Cc2ccccc2[C@@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825015113 609302268 /nfs/dbraw/zinc/30/22/68/609302268.db2.gz ZVZFRCKYHNALAH-MEDUHNTESA-N -1 1 395.471 1.680 20 0 GDADMM C[C@H]1Cc2ccccc2[C@@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825015113 609302269 /nfs/dbraw/zinc/30/22/69/609302269.db2.gz ZVZFRCKYHNALAH-MEDUHNTESA-N -1 1 395.471 1.680 20 0 GDADMM C[C@@H](CCC(C)(C)C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824402718 609302367 /nfs/dbraw/zinc/30/23/67/609302367.db2.gz YJBCRQOXVCNENV-NSHDSACASA-N -1 1 377.497 1.961 20 0 GDADMM C[C@@H](CCC(C)(C)C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824402718 609302369 /nfs/dbraw/zinc/30/23/69/609302369.db2.gz YJBCRQOXVCNENV-NSHDSACASA-N -1 1 377.497 1.961 20 0 GDADMM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824874559 609304163 /nfs/dbraw/zinc/30/41/63/609304163.db2.gz DVUQTUAVPHDDBB-NEPJUHHUSA-N -1 1 389.508 1.961 20 0 GDADMM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824874559 609304165 /nfs/dbraw/zinc/30/41/65/609304165.db2.gz DVUQTUAVPHDDBB-NEPJUHHUSA-N -1 1 389.508 1.961 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H](CC2CCC2)c2ccccc2)n(C)c1=O ZINC000826355710 609321138 /nfs/dbraw/zinc/32/11/38/609321138.db2.gz KHNUUEMIVHLANL-AWEZNQCLSA-N -1 1 381.440 1.608 20 0 GDADMM CC(C)[C@@](C)(O)CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824193079 609355126 /nfs/dbraw/zinc/35/51/26/609355126.db2.gz RWDQSBLPCIXGCP-KRWDZBQOSA-N -1 1 388.407 1.720 20 0 GDADMM C[C@H](O)C[C@H](C)CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824686287 609358037 /nfs/dbraw/zinc/35/80/37/609358037.db2.gz BDQMBICZSYYCCJ-QWRGUYRKSA-N -1 1 388.407 1.720 20 0 GDADMM Cc1noc([C@@H](C)NC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)n1 ZINC000826337849 609364278 /nfs/dbraw/zinc/36/42/78/609364278.db2.gz CGCVHEYDNCMJOW-MRVPVSSYSA-N -1 1 398.362 1.766 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C(=O)N1C[C@H]2CCC[C@@H]21 ZINC000826458644 609369861 /nfs/dbraw/zinc/36/98/61/609369861.db2.gz ZEQDQMYBYSCUSP-PWSUYJOCSA-N -1 1 396.386 1.141 20 0 GDADMM CC(C)[C@H]1CN(CC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)CCO1 ZINC000824223395 609372961 /nfs/dbraw/zinc/37/29/61/609372961.db2.gz HTQGUKFNCOXHAY-MRXNPFEDSA-N -1 1 396.455 1.348 20 0 GDADMM CC(C)[C@H]1CN(CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)CCO1 ZINC000824223395 609372963 /nfs/dbraw/zinc/37/29/63/609372963.db2.gz HTQGUKFNCOXHAY-MRXNPFEDSA-N -1 1 396.455 1.348 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@H](C)c2cncc(F)c2)cc1-c1nn[n-]n1 ZINC000826229936 609427360 /nfs/dbraw/zinc/42/73/60/609427360.db2.gz XFUOOZGURBDVFX-SSDOTTSWSA-N -1 1 375.389 1.714 20 0 GDADMM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000824505825 609456051 /nfs/dbraw/zinc/45/60/51/609456051.db2.gz HZVAAMAUZOCCKL-WCQYABFASA-N -1 1 387.444 1.637 20 0 GDADMM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000824505825 609456053 /nfs/dbraw/zinc/45/60/53/609456053.db2.gz HZVAAMAUZOCCKL-WCQYABFASA-N -1 1 387.444 1.637 20 0 GDADMM Cc1onc(CC(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)c1-c1nnn[n-]1 ZINC000826343805 609470330 /nfs/dbraw/zinc/47/03/30/609470330.db2.gz NSIDGWWMOBPFIB-YGRLFVJLSA-N -1 1 390.350 1.318 20 0 GDADMM Cc1onc(CC(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)c1-c1nn[n-]n1 ZINC000826343805 609470332 /nfs/dbraw/zinc/47/03/32/609470332.db2.gz NSIDGWWMOBPFIB-YGRLFVJLSA-N -1 1 390.350 1.318 20 0 GDADMM CC(C)c1nc([C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)s3)CCO2)no1 ZINC000824359586 609502237 /nfs/dbraw/zinc/50/22/37/609502237.db2.gz XFHTYQIZLKHIDO-SECBINFHSA-N -1 1 375.414 1.648 20 0 GDADMM CC(C)c1nc([C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)s3)CCO2)no1 ZINC000824359586 609502239 /nfs/dbraw/zinc/50/22/39/609502239.db2.gz XFHTYQIZLKHIDO-SECBINFHSA-N -1 1 375.414 1.648 20 0 GDADMM CO[C@@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)c1ccccc1 ZINC000821672304 609592917 /nfs/dbraw/zinc/59/29/17/609592917.db2.gz FWSMLUKCEBKCDJ-XJKSGUPXSA-N -1 1 394.439 1.082 20 0 GDADMM CO[C@@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)c1ccccc1 ZINC000821672304 609592919 /nfs/dbraw/zinc/59/29/19/609592919.db2.gz FWSMLUKCEBKCDJ-XJKSGUPXSA-N -1 1 394.439 1.082 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC([C@H]2CCOC2)CC1 ZINC000826496209 609611589 /nfs/dbraw/zinc/61/15/89/609611589.db2.gz OLQJHLLGRJXSBV-LBPRGKRZSA-N -1 1 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O=C(c1cccn2ncc(Br)c12)N1CCC(c2nn[n-]n2)CC1 ZINC000913745623 660095060 /nfs/dbraw/zinc/09/50/60/660095060.db2.gz LPTYEAQQEWKBLE-UHFFFAOYSA-N -1 1 376.218 1.630 20 0 GDADMM O=C(c1cc(Br)cn2ccnc12)N1CCC(c2nn[n-]n2)CC1 ZINC000913747352 660095404 /nfs/dbraw/zinc/09/54/04/660095404.db2.gz YSEYIBKACOAAHW-UHFFFAOYSA-N -1 1 376.218 1.630 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CCCCNC2=O)c1F ZINC000913910605 660104308 /nfs/dbraw/zinc/10/43/08/660104308.db2.gz FOJCDCQOBKABTC-SECBINFHSA-N -1 1 395.250 1.544 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-]C2(C(N)=O)CCCC2)c1F ZINC000914127126 660118215 /nfs/dbraw/zinc/11/82/15/660118215.db2.gz XBZPDUPGPNGCEP-UHFFFAOYSA-N -1 1 395.250 1.673 20 0 GDADMM COc1nn2cc(Br)cnc2c1S(=O)(=O)[N-]CC1(C)CCC1 ZINC000914228718 660129620 /nfs/dbraw/zinc/12/96/20/660129620.db2.gz FLHKKAOVGMMYCR-UHFFFAOYSA-N -1 1 389.275 1.969 20 0 GDADMM COC(=O)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)C1CCC(C(=O)OC)CC1 ZINC000914375552 660144204 /nfs/dbraw/zinc/14/42/04/660144204.db2.gz GIGJACXKTABOIM-UDNWOFFPSA-N -1 1 375.365 1.132 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2CCN(C)C(=O)C2)c1F ZINC000915001365 660157709 /nfs/dbraw/zinc/15/77/09/660157709.db2.gz JEXAZHLJZOFQDW-QMMMGPOBSA-N -1 1 395.250 1.496 20 0 GDADMM CCN1CCN(c2ccc(CNC(=O)NC3(C(=O)[O-])CCCC3)cn2)CC1 ZINC000780433567 939120950 /nfs/dbraw/zinc/12/09/50/939120950.db2.gz WQCIQKIEMNYOTI-UHFFFAOYSA-N -1 1 375.473 1.420 20 0 GDADMM Cc1cc([C@@H](NC(=O)NC[C@@H]2CN(CC(C)C)CCO2)C(=O)[O-])ccc1F ZINC000908759343 939315032 /nfs/dbraw/zinc/31/50/32/939315032.db2.gz FMHNYRRHEAZCAX-NVXWUHKLSA-N -1 1 381.448 1.916 20 0 GDADMM C[C@H](CNC(=O)N[C@@H](C(=O)[O-])[C@@H]1CCCOC1)N1CCc2ccccc2C1 ZINC000908914410 939351542 /nfs/dbraw/zinc/35/15/42/939351542.db2.gz WPNPDACXWPBVDA-ZTFGCOKTSA-N -1 1 375.469 1.612 20 0 GDADMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)c1cccc(Br)c1F ZINC001610898854 970781338 /nfs/dbraw/zinc/78/13/38/970781338.db2.gz PJBYPNCAPMPDSM-UHFFFAOYSA-N -1 1 383.239 1.225 20 0 GDADMM Cc1ccoc1C(=O)N1CC[C@H]2CN(c3snc(C)c3-c3nn[n-]n3)C[C@H]21 ZINC001571262789 945442186 /nfs/dbraw/zinc/44/21/86/945442186.db2.gz XYXOILRBVAYWBG-NWDGAFQWSA-N -1 1 385.453 1.884 20 0 GDADMM Cc1nc(C(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)[C@@H]2C)sc1C ZINC001571262848 945443262 /nfs/dbraw/zinc/44/32/62/945443262.db2.gz AEHXXIGTTPEGRR-ONGXEEELSA-N -1 1 385.457 1.445 20 0 GDADMM Cc1nc(C(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)[C@@H]2C)sc1C ZINC001571262848 945443267 /nfs/dbraw/zinc/44/32/67/945443267.db2.gz AEHXXIGTTPEGRR-ONGXEEELSA-N -1 1 385.457 1.445 20 0 GDADMM Cc1ncc(C(=O)N2CC[C@@](C)(CNc3ccc(-c4nnn[n-]4)nn3)C2)s1 ZINC001571263087 945450246 /nfs/dbraw/zinc/45/02/46/945450246.db2.gz HCEZDSISUOESDB-INIZCTEOSA-N -1 1 385.457 1.386 20 0 GDADMM Cc1ncc(C(=O)N2CC[C@@](C)(CNc3ccc(-c4nn[n-]n4)nn3)C2)s1 ZINC001571263087 945450249 /nfs/dbraw/zinc/45/02/49/945450249.db2.gz HCEZDSISUOESDB-INIZCTEOSA-N -1 1 385.457 1.386 20 0 GDADMM Cc1nsc(N[C@@H]2CCN(C(=O)c3ccc(C)nn3)[C@@H]2C)c1-c1nn[n-]n1 ZINC001571263120 945452286 /nfs/dbraw/zinc/45/22/86/945452286.db2.gz HXWBIIWSOKWMAI-GHMZBOCLSA-N -1 1 385.457 1.445 20 0 GDADMM Cc1nsc(N(C)[C@H]2CCN(C(=O)c3ccnnc3C)C2)c1-c1nn[n-]n1 ZINC001571263857 945469787 /nfs/dbraw/zinc/46/97/87/945469787.db2.gz YMEPZFLAVBSZAP-NSHDSACASA-N -1 1 385.457 1.081 20 0 GDADMM O=C(CCc1cscn1)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571263875 945470128 /nfs/dbraw/zinc/47/01/28/945470128.db2.gz YUOHMFAXGIIUBS-LLVKDONJSA-N -1 1 385.457 1.006 20 0 GDADMM O=C(CCc1cscn1)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571263875 945470135 /nfs/dbraw/zinc/47/01/35/945470135.db2.gz YUOHMFAXGIIUBS-LLVKDONJSA-N -1 1 385.457 1.006 20 0 GDADMM Cc1cc(F)cc(-c2nn[n-]n2)c1S(=O)(=O)NCc1ncc(Cl)n1C ZINC001571265684 945518894 /nfs/dbraw/zinc/51/88/94/945518894.db2.gz OPTJXOMXDUQGHE-UHFFFAOYSA-N -1 1 385.812 1.180 20 0 GDADMM Cc1nsc(N[C@H]2C[C@@H](NC(=O)[C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)C2)c1-c1nn[n-]n1 ZINC001571265896 945524693 /nfs/dbraw/zinc/52/46/93/945524693.db2.gz SGDKDOJFYFKNSJ-TTWXAFJNSA-N -1 1 385.497 1.983 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(F)cc2F)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571266915 945556216 /nfs/dbraw/zinc/55/62/16/945556216.db2.gz CBIVDIOFSGVTSG-YMTOWFKASA-N -1 1 386.366 1.508 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(F)cc2F)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571266915 945556225 /nfs/dbraw/zinc/55/62/25/945556225.db2.gz CBIVDIOFSGVTSG-YMTOWFKASA-N -1 1 386.366 1.508 20 0 GDADMM O=C(Cc1cc(F)ccc1F)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571266908 945556725 /nfs/dbraw/zinc/55/67/25/945556725.db2.gz BYYHZRDIFXFCMQ-LBPRGKRZSA-N -1 1 386.366 1.190 20 0 GDADMM O=C(Cc1cc(F)ccc1F)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571266908 945556732 /nfs/dbraw/zinc/55/67/32/945556732.db2.gz BYYHZRDIFXFCMQ-LBPRGKRZSA-N -1 1 386.366 1.190 20 0 GDADMM O=C(NCC1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cc(F)ccc1F ZINC001571266979 945559886 /nfs/dbraw/zinc/55/98/86/945559886.db2.gz FEDKPCWMWGFMPU-UHFFFAOYSA-N -1 1 386.366 1.555 20 0 GDADMM O=C(NCC1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cc(F)ccc1F ZINC001571266979 945559891 /nfs/dbraw/zinc/55/98/91/945559891.db2.gz FEDKPCWMWGFMPU-UHFFFAOYSA-N -1 1 386.366 1.555 20 0 GDADMM O=C(c1c(F)cccc1F)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571267490 945571114 /nfs/dbraw/zinc/57/11/14/945571114.db2.gz WWRRUCCHLSNOQX-SNVBAGLBSA-N -1 1 386.366 1.652 20 0 GDADMM O=C(c1c(F)cccc1F)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571267490 945571119 /nfs/dbraw/zinc/57/11/19/945571119.db2.gz WWRRUCCHLSNOQX-SNVBAGLBSA-N -1 1 386.366 1.652 20 0 GDADMM Cc1nsc(N2CC[C@H](NC(=O)c3cnc(C4CC4)o3)C2)c1-c1nn[n-]n1 ZINC001571269661 945623651 /nfs/dbraw/zinc/62/36/51/945623651.db2.gz BVCOQIXGRGNRGM-JTQLQIEISA-N -1 1 386.441 1.506 20 0 GDADMM Cc1nsc(N2CCC3(C[C@@H]3NC(=O)c3cnco3)CC2)c1-c1nn[n-]n1 ZINC001571270091 945631413 /nfs/dbraw/zinc/63/14/13/945631413.db2.gz MVZHQQFYNNYYDP-NSHDSACASA-N -1 1 386.441 1.409 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)N[C@H](CO)c2ncc[nH]2)c1-c1nn[n-]n1 ZINC001571270675 945640481 /nfs/dbraw/zinc/64/04/81/945640481.db2.gz YNEHJZCVAZKEEP-LLVKDONJSA-N -1 1 386.441 1.048 20 0 GDADMM CCc1c(C(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)s3)CC2)cnn1C ZINC001571271877 945652973 /nfs/dbraw/zinc/65/29/73/945652973.db2.gz LNIOUVWYOCWLCF-UHFFFAOYSA-N -1 1 386.485 1.182 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N(C)[C@H]2CCN(C(=O)[C@H](C)C(C)(C)C)C2)n1 ZINC001571272089 945656724 /nfs/dbraw/zinc/65/67/24/945656724.db2.gz PCCJYFMXVFWFIF-STQMWFEESA-N -1 1 386.504 1.938 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N(C)[C@H]2CCN(C(=O)[C@H](C)C(C)(C)C)C2)n1 ZINC001571272089 945656728 /nfs/dbraw/zinc/65/67/28/945656728.db2.gz PCCJYFMXVFWFIF-STQMWFEESA-N -1 1 386.504 1.938 20 0 GDADMM O=C(C[C@@H]1CCCO1)N1CCCC[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001571272791 945671585 /nfs/dbraw/zinc/67/15/85/945671585.db2.gz IKTVBEXIJRWBNB-KBPBESRZSA-N -1 1 386.460 1.409 20 0 GDADMM O=C(C[C@@H]1CCCO1)N1CCCC[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001571272791 945671590 /nfs/dbraw/zinc/67/15/90/945671590.db2.gz IKTVBEXIJRWBNB-KBPBESRZSA-N -1 1 386.460 1.409 20 0 GDADMM O=C(C[C@H]1CCCOC1)N1CC[C@@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001571272991 945674884 /nfs/dbraw/zinc/67/48/84/945674884.db2.gz MHVLRUSOWLGMNE-ZIAGYGMSSA-N -1 1 386.460 1.124 20 0 GDADMM O=C(C[C@H]1CCCOC1)N1CC[C@@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001571272991 945674889 /nfs/dbraw/zinc/67/48/89/945674889.db2.gz MHVLRUSOWLGMNE-ZIAGYGMSSA-N -1 1 386.460 1.124 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@]2(C)CCN(C(=O)[C@H]3CCCOC3)C2)n1 ZINC001571273537 945690108 /nfs/dbraw/zinc/69/01/08/945690108.db2.gz ZIJJEJROESOAET-SCLBCKFNSA-N -1 1 386.460 1.042 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@]2(C)CCN(C(=O)[C@H]3CCCOC3)C2)n1 ZINC001571273537 945690115 /nfs/dbraw/zinc/69/01/15/945690115.db2.gz ZIJJEJROESOAET-SCLBCKFNSA-N -1 1 386.460 1.042 20 0 GDADMM CCc1nc(NCC2CC(NC(=O)[C@H]3CCCCO3)C2)cc(-c2nnn[n-]2)n1 ZINC001571273560 945692051 /nfs/dbraw/zinc/69/20/51/945692051.db2.gz ZWRXCZDTXMSYGB-ORHYLEIMSA-N -1 1 386.460 1.095 20 0 GDADMM CCc1nc(NCC2CC(NC(=O)[C@H]3CCCCO3)C2)cc(-c2nn[n-]n2)n1 ZINC001571273560 945692057 /nfs/dbraw/zinc/69/20/57/945692057.db2.gz ZWRXCZDTXMSYGB-ORHYLEIMSA-N -1 1 386.460 1.095 20 0 GDADMM O=S(=O)(N[C@@H](CO)c1c(F)cccc1F)c1ccsc1-c1nn[n-]n1 ZINC001571275520 945707010 /nfs/dbraw/zinc/70/70/10/945707010.db2.gz VMCKDOHQZJFKSE-VIFPVBQESA-N -1 1 387.393 1.218 20 0 GDADMM C[C@H]1CN(C(=O)COC2CCCC2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571275826 945716180 /nfs/dbraw/zinc/71/61/80/945716180.db2.gz DAIVCPKZABZLAG-STQMWFEESA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H]1CN(C(=O)COC2CCCC2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571275826 945716185 /nfs/dbraw/zinc/71/61/85/945716185.db2.gz DAIVCPKZABZLAG-STQMWFEESA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CO[C@H](CCC(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)C1 ZINC001571277478 945742120 /nfs/dbraw/zinc/74/21/20/945742120.db2.gz KQQPDQNSWNZIBL-QWHCGFSZSA-N -1 1 386.460 1.265 20 0 GDADMM CC1(C)CO[C@H](CCC(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)C1 ZINC001571277478 945742127 /nfs/dbraw/zinc/74/21/27/945742127.db2.gz KQQPDQNSWNZIBL-QWHCGFSZSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CCN(C(=O)[C@@H]2CCCOC2)CC1 ZINC001571278674 945757640 /nfs/dbraw/zinc/75/76/40/945757640.db2.gz QNLGMWJIOCRDIC-GXTWGEPZSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CCN(C(=O)[C@@H]2CCCOC2)CC1 ZINC001571278674 945757651 /nfs/dbraw/zinc/75/76/51/945757651.db2.gz QNLGMWJIOCRDIC-GXTWGEPZSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CN(C(=O)[C@H]2CCCOCC2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571278670 945758763 /nfs/dbraw/zinc/75/87/63/945758763.db2.gz QMYOVXWVCJEPLF-GXTWGEPZSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CN(C(=O)[C@H]2CCCOCC2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571278670 945758771 /nfs/dbraw/zinc/75/87/71/945758771.db2.gz QMYOVXWVCJEPLF-GXTWGEPZSA-N -1 1 386.460 1.122 20 0 GDADMM CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1C(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001571279133 945769142 /nfs/dbraw/zinc/76/91/42/945769142.db2.gz JHZBPWPLDXYNAQ-QWHCGFSZSA-N -1 1 387.444 1.137 20 0 GDADMM CC1(Nc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)CC[C@@H]2CCCO2)CC1 ZINC001571279395 945777464 /nfs/dbraw/zinc/77/74/64/945777464.db2.gz WGCGCISCEYLCPE-ZDUSSCGKSA-N -1 1 386.460 1.409 20 0 GDADMM CC1(Nc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)CC[C@@H]2CCCO2)CC1 ZINC001571279395 945777471 /nfs/dbraw/zinc/77/74/71/945777471.db2.gz WGCGCISCEYLCPE-ZDUSSCGKSA-N -1 1 386.460 1.409 20 0 GDADMM Cc1c[nH]nc1C(=O)N1CCC[C@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571280947 945794438 /nfs/dbraw/zinc/79/44/38/945794438.db2.gz AFDWMWCDZXCLNK-LLVKDONJSA-N -1 1 387.473 1.627 20 0 GDADMM CC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573451153 945835299 /nfs/dbraw/zinc/83/52/99/945835299.db2.gz SJPGYKPWMISAFA-LSDHHAIUSA-N -1 1 382.403 1.034 20 0 GDADMM CCc1nc(N[C@H]2CCN(C(=O)c3cc(Cl)c[nH]3)C2)cc(-c2nnn[n-]2)n1 ZINC001571283368 945884086 /nfs/dbraw/zinc/88/40/86/945884086.db2.gz DILVWJTZUUQAEG-JTQLQIEISA-N -1 1 387.835 1.527 20 0 GDADMM CCc1nc(N[C@H]2CCN(C(=O)c3cc(Cl)c[nH]3)C2)cc(-c2nn[n-]n2)n1 ZINC001571283368 945884097 /nfs/dbraw/zinc/88/40/97/945884097.db2.gz DILVWJTZUUQAEG-JTQLQIEISA-N -1 1 387.835 1.527 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2cc(Cl)cn2C)CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571283703 945889862 /nfs/dbraw/zinc/88/98/62/945889862.db2.gz HEKSXZQLVMZTAY-KOLCDFICSA-N -1 1 387.835 1.046 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2cc(Cl)cn2C)CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571283703 945889884 /nfs/dbraw/zinc/88/98/84/945889884.db2.gz HEKSXZQLVMZTAY-KOLCDFICSA-N -1 1 387.835 1.046 20 0 GDADMM C[C@H]1CC[C@@H](NC(=O)c2ccc(Cl)[nH]2)CN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571285060 945910312 /nfs/dbraw/zinc/91/03/12/945910312.db2.gz XSOKTIATMJNFPV-VHSXEESVSA-N -1 1 387.835 1.426 20 0 GDADMM O=C(c1cc(Cl)c[nH]1)N1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571285380 945916428 /nfs/dbraw/zinc/91/64/28/945916428.db2.gz CISVXNMEVNLQDF-NSHDSACASA-N -1 1 387.835 1.745 20 0 GDADMM O=C(c1cc(Cl)c[nH]1)N1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571285380 945916432 /nfs/dbraw/zinc/91/64/32/945916432.db2.gz CISVXNMEVNLQDF-NSHDSACASA-N -1 1 387.835 1.745 20 0 GDADMM O=C(c1cc(Cl)c[nH]1)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571285736 945925648 /nfs/dbraw/zinc/92/56/48/945925648.db2.gz MPMVQUJJUNCLTP-LLVKDONJSA-N -1 1 387.835 1.745 20 0 GDADMM O=C(c1cc(Cl)c[nH]1)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571285736 945925656 /nfs/dbraw/zinc/92/56/56/945925656.db2.gz MPMVQUJJUNCLTP-LLVKDONJSA-N -1 1 387.835 1.745 20 0 GDADMM Cn1cc(Cl)cc1C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571285795 945928714 /nfs/dbraw/zinc/92/87/14/945928714.db2.gz OIXGTRXCEFNQCD-NSHDSACASA-N -1 1 387.835 1.047 20 0 GDADMM Cn1cc(Cl)cc1C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571285795 945928718 /nfs/dbraw/zinc/92/87/18/945928718.db2.gz OIXGTRXCEFNQCD-NSHDSACASA-N -1 1 387.835 1.047 20 0 GDADMM CCOC(=O)C1CCC(CC(=O)Nc2cnc(OC)c(-c3nn[n-]n3)c2)CC1 ZINC001571286516 945949450 /nfs/dbraw/zinc/94/94/50/945949450.db2.gz JTTMRIUNLXMKFU-UHFFFAOYSA-N -1 1 388.428 1.968 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2C[C@H](NC(=O)C3CCC(F)CC3)C2)n1 ZINC001571289489 946006792 /nfs/dbraw/zinc/00/67/92/946006792.db2.gz FSEKTZUQZZSHRI-WUPBRDTRSA-N -1 1 388.451 1.800 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2C[C@H](NC(=O)C3CCC(F)CC3)C2)n1 ZINC001571289489 946006800 /nfs/dbraw/zinc/00/68/00/946006800.db2.gz FSEKTZUQZZSHRI-WUPBRDTRSA-N -1 1 388.451 1.800 20 0 GDADMM CCO[C@@H]1CN(C(=O)C(C)(C)CC)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571289722 946014305 /nfs/dbraw/zinc/01/43/05/946014305.db2.gz LEUBNCVKLVFYAT-TZMCWYRMSA-N -1 1 388.476 1.368 20 0 GDADMM CCO[C@@H]1CN(C(=O)C(C)(C)CC)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571289722 946014316 /nfs/dbraw/zinc/01/43/16/946014316.db2.gz LEUBNCVKLVFYAT-TZMCWYRMSA-N -1 1 388.476 1.368 20 0 GDADMM CCC(C)(CC)C(=O)N1CCC(O)(CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571289663 946015080 /nfs/dbraw/zinc/01/50/80/946015080.db2.gz JPGONPFCRHVMNB-UHFFFAOYSA-N -1 1 388.476 1.248 20 0 GDADMM CCC(C)(CC)C(=O)N1CCC(O)(CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571289663 946015091 /nfs/dbraw/zinc/01/50/91/946015091.db2.gz JPGONPFCRHVMNB-UHFFFAOYSA-N -1 1 388.476 1.248 20 0 GDADMM CO[C@@H](C(=O)N1CCC(CN(C)c2cncc(-c3nnn[n-]3)n2)CC1)C(C)C ZINC001571290118 946027466 /nfs/dbraw/zinc/02/74/66/946027466.db2.gz VOECCPCJIGCDBO-MRXNPFEDSA-N -1 1 388.476 1.003 20 0 GDADMM CO[C@@H](C(=O)N1CCC(CN(C)c2cncc(-c3nn[n-]n3)n2)CC1)C(C)C ZINC001571290118 946027479 /nfs/dbraw/zinc/02/74/79/946027479.db2.gz VOECCPCJIGCDBO-MRXNPFEDSA-N -1 1 388.476 1.003 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@H]1CCOC2(CCCC2)C1 ZINC001571290054 946029332 /nfs/dbraw/zinc/02/93/32/946029332.db2.gz UAFFJNYNKRAFFF-LBPRGKRZSA-N -1 1 388.476 1.302 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@H]1CCOC2(CCCC2)C1 ZINC001571290054 946029346 /nfs/dbraw/zinc/02/93/46/946029346.db2.gz UAFFJNYNKRAFFF-LBPRGKRZSA-N -1 1 388.476 1.302 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NCC2CCN(C(=O)[C@@H]3CC[C@H](F)C3)CC2)n1 ZINC001571290195 946031655 /nfs/dbraw/zinc/03/16/55/946031655.db2.gz XMHSIINIEUBINO-KGLIPLIRSA-N -1 1 388.451 1.754 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NCC2CCN(C(=O)[C@@H]3CC[C@H](F)C3)CC2)n1 ZINC001571290195 946031668 /nfs/dbraw/zinc/03/16/68/946031668.db2.gz XMHSIINIEUBINO-KGLIPLIRSA-N -1 1 388.451 1.754 20 0 GDADMM O=C(N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)c1cscc1Cl ZINC001571290376 946043399 /nfs/dbraw/zinc/04/33/99/946043399.db2.gz CKTWYTUWMLWZLZ-JDICNCQASA-N -1 1 388.844 1.236 20 0 GDADMM O=C(c1ccc(Cl)c(F)c1)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571290953 946061499 /nfs/dbraw/zinc/06/14/99/946061499.db2.gz VODPBEUXTBDOGE-SNVBAGLBSA-N -1 1 388.794 1.776 20 0 GDADMM O=C(c1ccc(Cl)c(F)c1)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571290953 946061514 /nfs/dbraw/zinc/06/15/14/946061514.db2.gz VODPBEUXTBDOGE-SNVBAGLBSA-N -1 1 388.794 1.776 20 0 GDADMM COc1ccccc1C1(NS(=O)(=O)c2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC001571292035 946086189 /nfs/dbraw/zinc/08/61/89/946086189.db2.gz TWMMVECJQPJIDE-UHFFFAOYSA-N -1 1 389.412 1.982 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)O[C@H]1CCN(C(C)C)C1=O ZINC000822542294 946121108 /nfs/dbraw/zinc/12/11/08/946121108.db2.gz XGMQZTCVDXIECK-LBPRGKRZSA-N -1 1 384.396 1.725 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)O[C@H]1CCN(C(C)C)C1=O ZINC000822542294 946121124 /nfs/dbraw/zinc/12/11/24/946121124.db2.gz XGMQZTCVDXIECK-LBPRGKRZSA-N -1 1 384.396 1.725 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccnc(N3CCCCC3)c2)n1 ZINC000822619869 946140874 /nfs/dbraw/zinc/14/08/74/946140874.db2.gz IUHIXDWAOMRXBJ-UHFFFAOYSA-N -1 1 382.432 1.307 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccnc(N3CCCCC3)c2)n1 ZINC000822619869 946140882 /nfs/dbraw/zinc/14/08/82/946140882.db2.gz IUHIXDWAOMRXBJ-UHFFFAOYSA-N -1 1 382.432 1.307 20 0 GDADMM Cc1nsc(N2CC[C@@H]3[C@H]2CCCN3C(=O)[C@@H]2CCOC2)c1-c1nn[n-]n1 ZINC001571295226 946157705 /nfs/dbraw/zinc/15/77/05/946157705.db2.gz QJPUBHFPOYEFFD-JHJVBQTASA-N -1 1 389.485 1.238 20 0 GDADMM O=C(Cc1ccccc1)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001571297979 946201712 /nfs/dbraw/zinc/20/17/12/946201712.db2.gz GIMCFCPPOYLLKD-XHSDSOJGSA-N -1 1 390.451 1.373 20 0 GDADMM O=C(Cc1ccccc1)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001571297979 946201722 /nfs/dbraw/zinc/20/17/22/946201722.db2.gz GIMCFCPPOYLLKD-XHSDSOJGSA-N -1 1 390.451 1.373 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@](C)(NC(=O)[C@H]3Cc4ccccc43)C2)n1 ZINC001571298200 946207815 /nfs/dbraw/zinc/20/78/15/946207815.db2.gz CBVNHZGTPFJPRJ-YWZLYKJASA-N -1 1 390.451 1.390 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@](C)(NC(=O)[C@H]3Cc4ccccc43)C2)n1 ZINC001571298200 946207826 /nfs/dbraw/zinc/20/78/26/946207826.db2.gz CBVNHZGTPFJPRJ-YWZLYKJASA-N -1 1 390.451 1.390 20 0 GDADMM O=C(NC[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)[C@@H]1Cc2ccccc21 ZINC001571298292 946212168 /nfs/dbraw/zinc/21/21/68/946212168.db2.gz MSKZYFWRKXKMPW-CZUORRHYSA-N -1 1 390.451 1.329 20 0 GDADMM O=C(NC[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)[C@@H]1Cc2ccccc21 ZINC001571298292 946212181 /nfs/dbraw/zinc/21/21/81/946212181.db2.gz MSKZYFWRKXKMPW-CZUORRHYSA-N -1 1 390.451 1.329 20 0 GDADMM CN(C(=O)C1Cc2ccccc2C1)C1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571298391 946215916 /nfs/dbraw/zinc/21/59/16/946215916.db2.gz GBFXBQHPZXAOOC-UHFFFAOYSA-N -1 1 390.451 1.473 20 0 GDADMM CN(C(=O)C1Cc2ccccc2C1)C1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571298391 946215927 /nfs/dbraw/zinc/21/59/27/946215927.db2.gz GBFXBQHPZXAOOC-UHFFFAOYSA-N -1 1 390.451 1.473 20 0 GDADMM Cc1ccccc1[C@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1 ZINC001571298560 946222523 /nfs/dbraw/zinc/22/25/23/946222523.db2.gz GZMCUCPZTMTANO-KKUMJFAQSA-N -1 1 390.451 1.558 20 0 GDADMM Cc1ccccc1[C@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1 ZINC001571298560 946222531 /nfs/dbraw/zinc/22/25/31/946222531.db2.gz GZMCUCPZTMTANO-KKUMJFAQSA-N -1 1 390.451 1.558 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@@H](NC(=O)C3Cc4ccccc4C3)C2)n1 ZINC001571298699 946224736 /nfs/dbraw/zinc/22/47/36/946224736.db2.gz JSNYHBRGZRDACX-IYBDPMFKSA-N -1 1 390.451 1.439 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@@H](NC(=O)C3Cc4ccccc4C3)C2)n1 ZINC001571298699 946224746 /nfs/dbraw/zinc/22/47/46/946224746.db2.gz JSNYHBRGZRDACX-IYBDPMFKSA-N -1 1 390.451 1.439 20 0 GDADMM CC[C@@H](SC)C(=O)N1CCC[C@@H](CN(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571298753 946227351 /nfs/dbraw/zinc/22/73/51/946227351.db2.gz CVZQTZYVVCXGDS-QWHCGFSZSA-N -1 1 390.517 1.473 20 0 GDADMM CN1c2ccccc2CN(S(=O)(=O)c2ccsc2-c2nn[n-]n2)CC1=O ZINC001571298832 946230027 /nfs/dbraw/zinc/23/00/27/946230027.db2.gz KXGBPDYHZHKZDV-UHFFFAOYSA-N -1 1 390.450 1.096 20 0 GDADMM O=C(N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)c1ccc(Cl)s1 ZINC001571299049 946237819 /nfs/dbraw/zinc/23/78/19/946237819.db2.gz HYUURIDOPMDTDJ-SECBINFHSA-N -1 1 390.860 1.770 20 0 GDADMM O=C(N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)c1ccc(Cl)s1 ZINC001571299049 946237826 /nfs/dbraw/zinc/23/78/26/946237826.db2.gz HYUURIDOPMDTDJ-SECBINFHSA-N -1 1 390.860 1.770 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC001571299267 946246563 /nfs/dbraw/zinc/24/65/63/946246563.db2.gz VJPGTSZFBQLDOS-OWCLPIDISA-N -1 1 390.451 1.545 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@H]3CN(c4nc(C)cc(-c5nnn[n-]5)n4)C[C@H]32)c1 ZINC001571299489 946250518 /nfs/dbraw/zinc/25/05/18/946250518.db2.gz SHEUNKIQFCSXPW-DOTOQJQBSA-N -1 1 390.451 1.624 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@H]3CN(c4nc(C)cc(-c5nn[n-]n5)n4)C[C@H]32)c1 ZINC001571299489 946250538 /nfs/dbraw/zinc/25/05/38/946250538.db2.gz SHEUNKIQFCSXPW-DOTOQJQBSA-N -1 1 390.451 1.624 20 0 GDADMM O=C(N[C@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nn1)CC2)C1C=CC=CC=C1 ZINC001571299554 946253373 /nfs/dbraw/zinc/25/33/73/946253373.db2.gz WZCBKYXLCIKQFL-INIZCTEOSA-N -1 1 390.451 1.430 20 0 GDADMM O=C(N[C@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nn1)CC2)C1C=CC=CC=C1 ZINC001571299554 946253383 /nfs/dbraw/zinc/25/33/83/946253383.db2.gz WZCBKYXLCIKQFL-INIZCTEOSA-N -1 1 390.451 1.430 20 0 GDADMM C[C@@]1(NC(=O)c2csc(Cl)c2)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571299895 946263597 /nfs/dbraw/zinc/26/35/97/946263597.db2.gz QHCYPMDKRCURMH-OAHLLOKOSA-N -1 1 390.860 1.770 20 0 GDADMM C[C@@]1(NC(=O)c2csc(Cl)c2)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571299895 946263605 /nfs/dbraw/zinc/26/36/05/946263605.db2.gz QHCYPMDKRCURMH-OAHLLOKOSA-N -1 1 390.860 1.770 20 0 GDADMM CN(c1nccnc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)c2csc(Cl)c2)C1 ZINC001571300189 946276103 /nfs/dbraw/zinc/27/61/03/946276103.db2.gz WJEZANUSBGTGFK-SNVBAGLBSA-N -1 1 390.860 1.723 20 0 GDADMM CN(c1nccnc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)c2csc(Cl)c2)C1 ZINC001571300189 946276112 /nfs/dbraw/zinc/27/61/12/946276112.db2.gz WJEZANUSBGTGFK-SNVBAGLBSA-N -1 1 390.860 1.723 20 0 GDADMM O=C(c1ocnc1C(F)F)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571301955 946287179 /nfs/dbraw/zinc/28/71/79/946287179.db2.gz JJJAPVJGPSJSIB-QMMMGPOBSA-N -1 1 391.342 1.299 20 0 GDADMM O=C(c1ocnc1C(F)F)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571301955 946287188 /nfs/dbraw/zinc/28/71/88/946287188.db2.gz JJJAPVJGPSJSIB-QMMMGPOBSA-N -1 1 391.342 1.299 20 0 GDADMM Cc1cnc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nnn[n-]2)c(C)c1 ZINC001571302538 946307273 /nfs/dbraw/zinc/30/72/73/946307273.db2.gz ALYDXCVUTGLRCD-RDBSUJKOSA-N -1 1 391.439 1.208 20 0 GDADMM Cc1cnc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nn[n-]n2)c(C)c1 ZINC001571302538 946307285 /nfs/dbraw/zinc/30/72/85/946307285.db2.gz ALYDXCVUTGLRCD-RDBSUJKOSA-N -1 1 391.439 1.208 20 0 GDADMM Cc1cccnc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571302571 946308070 /nfs/dbraw/zinc/30/80/70/946308070.db2.gz BRTLZWWGZNOTAT-KGLIPLIRSA-N -1 1 391.439 1.244 20 0 GDADMM Cc1cccnc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571302571 946308084 /nfs/dbraw/zinc/30/80/84/946308084.db2.gz BRTLZWWGZNOTAT-KGLIPLIRSA-N -1 1 391.439 1.244 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C23CCC3)cn1 ZINC001571302851 946315585 /nfs/dbraw/zinc/31/55/85/946315585.db2.gz HREALZQJIQHZJN-HUUCEWRRSA-N -1 1 391.439 1.513 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C23CCC3)cn1 ZINC001571302851 946315598 /nfs/dbraw/zinc/31/55/98/946315598.db2.gz HREALZQJIQHZJN-HUUCEWRRSA-N -1 1 391.439 1.513 20 0 GDADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1cccc(C(=O)N2CCCCC2)c1 ZINC001571303324 946331226 /nfs/dbraw/zinc/33/12/26/946331226.db2.gz KITMYSQNKUMLGI-UHFFFAOYSA-N -1 1 391.435 1.818 20 0 GDADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1cccc(C(=O)N2CCCCC2)c1 ZINC001571303324 946331232 /nfs/dbraw/zinc/33/12/32/946331232.db2.gz KITMYSQNKUMLGI-UHFFFAOYSA-N -1 1 391.435 1.818 20 0 GDADMM Cc1cnccc1C(=O)N1CCC[C@@H]2[C@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001571303299 946331800 /nfs/dbraw/zinc/33/18/00/946331800.db2.gz OFZFKVXMFFWYCL-HZPDHXFCSA-N -1 1 391.439 1.244 20 0 GDADMM Cc1cnccc1C(=O)N1CCC[C@@H]2[C@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001571303299 946331813 /nfs/dbraw/zinc/33/18/13/946331813.db2.gz OFZFKVXMFFWYCL-HZPDHXFCSA-N -1 1 391.439 1.244 20 0 GDADMM Cc1nsc(NC2(C)CCN(C(=O)c3n[nH]cc3F)CC2)c1-c1nn[n-]n1 ZINC001571303953 946353552 /nfs/dbraw/zinc/35/35/52/946353552.db2.gz TWOYROLIVJCRSR-UHFFFAOYSA-N -1 1 391.436 1.601 20 0 GDADMM C[C@@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)CN1C(=O)c1csc(Cl)n1 ZINC001571305579 946366765 /nfs/dbraw/zinc/36/67/65/946366765.db2.gz GDEPXSVPKAJHCS-SFYZADRCSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)CN1C(=O)c1csc(Cl)n1 ZINC001571305579 946366772 /nfs/dbraw/zinc/36/67/72/946366772.db2.gz GDEPXSVPKAJHCS-SFYZADRCSA-N -1 1 391.848 1.482 20 0 GDADMM Cc1nsc(NCC[C@@H]2CCN(C(=O)C[C@H]3CCOC3)C2)c1-c1nn[n-]n1 ZINC001571305651 946371100 /nfs/dbraw/zinc/37/11/00/946371100.db2.gz IMWDYLXVNCFCFL-CHWSQXEVSA-N -1 1 391.501 1.709 20 0 GDADMM CC[C@H]1CC[C@@H](C(=O)NC2CCN(c3snc(C)c3-c3nn[n-]n3)CC2)O1 ZINC001571305802 946374568 /nfs/dbraw/zinc/37/45/68/946374568.db2.gz KHNYFHYKXXRIMK-STQMWFEESA-N -1 1 391.501 1.674 20 0 GDADMM O=C(c1ncc(Cl)s1)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571305891 946379823 /nfs/dbraw/zinc/37/98/23/946379823.db2.gz NFBSMLUMVTZQOA-MRVPVSSYSA-N -1 1 391.848 1.483 20 0 GDADMM O=C(c1ncc(Cl)s1)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571305891 946379834 /nfs/dbraw/zinc/37/98/34/946379834.db2.gz NFBSMLUMVTZQOA-MRVPVSSYSA-N -1 1 391.848 1.483 20 0 GDADMM O=C(c1cnccn1)N1CCC[C@H]1CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001571306047 946384718 /nfs/dbraw/zinc/38/47/18/946384718.db2.gz ONCSYPFMQZBQJD-QMMMGPOBSA-N -1 1 391.848 1.483 20 0 GDADMM O=C(c1csc(Cl)n1)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571306250 946393028 /nfs/dbraw/zinc/39/30/28/946393028.db2.gz REXSSKHBFADZSW-MRVPVSSYSA-N -1 1 391.848 1.483 20 0 GDADMM O=C(c1csc(Cl)n1)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571306250 946393037 /nfs/dbraw/zinc/39/30/37/946393037.db2.gz REXSSKHBFADZSW-MRVPVSSYSA-N -1 1 391.848 1.483 20 0 GDADMM Cc1nsc(NC[C@@H]2CC[C@H](NC(=O)c3cnsn3)C2)c1-c1nn[n-]n1 ZINC001571306504 946402429 /nfs/dbraw/zinc/40/24/29/946402429.db2.gz VWYXSQCHASBAAQ-BDAKNGLRSA-N -1 1 391.486 1.494 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)C1(C(C)(F)F)CC1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571307573 946425373 /nfs/dbraw/zinc/42/53/73/946425373.db2.gz FJOLTPORWNXQHD-LLVKDONJSA-N -1 1 392.414 1.519 20 0 GDADMM O=C(N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)C1(F)CCOCC1 ZINC001571307861 946426470 /nfs/dbraw/zinc/42/64/70/946426470.db2.gz ICNZGYPEXLVXPO-CYBMUJFWSA-N -1 1 392.410 1.215 20 0 GDADMM CN(c1nccnc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)C[C@H]2CCCC2(F)F)C1 ZINC001571307906 946426921 /nfs/dbraw/zinc/42/69/21/946426921.db2.gz JLFLGQRNRNTPDE-VXGBXAGGSA-N -1 1 392.414 1.519 20 0 GDADMM CN(c1nccnc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)C[C@H]2CCCC2(F)F)C1 ZINC001571307906 946426927 /nfs/dbraw/zinc/42/69/27/946426927.db2.gz JLFLGQRNRNTPDE-VXGBXAGGSA-N -1 1 392.414 1.519 20 0 GDADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)C2CCC(F)(F)CC2)C1 ZINC001571308366 946431612 /nfs/dbraw/zinc/43/16/12/946431612.db2.gz PDVDWHASFBYXHZ-LBPRGKRZSA-N -1 1 392.414 1.519 20 0 GDADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)C2CCC(F)(F)CC2)C1 ZINC001571308366 946431615 /nfs/dbraw/zinc/43/16/15/946431615.db2.gz PDVDWHASFBYXHZ-LBPRGKRZSA-N -1 1 392.414 1.519 20 0 GDADMM O=C(NCC1CCN(c2nccnc2-c2nnn[n-]2)CC1)[C@H]1CCC(F)(F)C1 ZINC001571309545 946447540 /nfs/dbraw/zinc/44/75/40/946447540.db2.gz CXYVOKZQEWSODQ-LBPRGKRZSA-N -1 1 392.414 1.425 20 0 GDADMM O=C(NCC1CCN(c2nccnc2-c2nn[n-]n2)CC1)[C@H]1CCC(F)(F)C1 ZINC001571309545 946447549 /nfs/dbraw/zinc/44/75/49/946447549.db2.gz CXYVOKZQEWSODQ-LBPRGKRZSA-N -1 1 392.414 1.425 20 0 GDADMM C[C@@]1(NC(=O)c2ccc3c(c2)COC3)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571309939 946457011 /nfs/dbraw/zinc/45/70/11/946457011.db2.gz PWMNXGCHCXFVKO-LJQANCHMSA-N -1 1 392.423 1.086 20 0 GDADMM C[C@@]1(NC(=O)c2ccc3c(c2)COC3)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571309939 946457019 /nfs/dbraw/zinc/45/70/19/946457019.db2.gz PWMNXGCHCXFVKO-LJQANCHMSA-N -1 1 392.423 1.086 20 0 GDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC001571311014 946480645 /nfs/dbraw/zinc/48/06/45/946480645.db2.gz PUEIHSPROOZDPA-GDBMZVCRSA-N -1 1 392.467 1.938 20 0 GDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC001571311014 946480650 /nfs/dbraw/zinc/48/06/50/946480650.db2.gz PUEIHSPROOZDPA-GDBMZVCRSA-N -1 1 392.467 1.938 20 0 GDADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC001571311015 946480740 /nfs/dbraw/zinc/48/07/40/946480740.db2.gz PUEIHSPROOZDPA-GOEBONIOSA-N -1 1 392.467 1.938 20 0 GDADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC001571311015 946480742 /nfs/dbraw/zinc/48/07/42/946480742.db2.gz PUEIHSPROOZDPA-GOEBONIOSA-N -1 1 392.467 1.938 20 0 GDADMM O=C(c1ccccc1O)N1CC[C@H]2[C@@H](CCN2c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571312792 946503841 /nfs/dbraw/zinc/50/38/41/946503841.db2.gz KGXGMOPRBHUYCB-WFASDCNBSA-N -1 1 392.423 1.103 20 0 GDADMM O=C(c1ccccc1O)N1CC[C@H]2[C@@H](CCN2c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571312792 946503846 /nfs/dbraw/zinc/50/38/46/946503846.db2.gz KGXGMOPRBHUYCB-WFASDCNBSA-N -1 1 392.423 1.103 20 0 GDADMM C[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)CN1C(=O)c1cnc(C2CC2)nc1 ZINC001571312870 946505796 /nfs/dbraw/zinc/50/57/96/946505796.db2.gz LNYMGUYMXNZQHJ-GXFFZTMASA-N -1 1 392.427 1.039 20 0 GDADMM C[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)CN1C(=O)c1cnc(C2CC2)nc1 ZINC001571312870 946505802 /nfs/dbraw/zinc/50/58/02/946505802.db2.gz LNYMGUYMXNZQHJ-GXFFZTMASA-N -1 1 392.427 1.039 20 0 GDADMM O=C(c1ccc2c(c1)COC2)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571313639 946527545 /nfs/dbraw/zinc/52/75/45/946527545.db2.gz VBKNLUWCDYNNFH-UHFFFAOYSA-N -1 1 392.423 1.039 20 0 GDADMM O=C(c1ccc2c(c1)COC2)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571313639 946527550 /nfs/dbraw/zinc/52/75/50/946527550.db2.gz VBKNLUWCDYNNFH-UHFFFAOYSA-N -1 1 392.423 1.039 20 0 GDADMM CCc1ccc(C(=O)N(CC)[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571313644 946527943 /nfs/dbraw/zinc/52/79/43/946527943.db2.gz SENUBXZCMDXDGN-MRXNPFEDSA-N -1 1 392.467 1.960 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](NC(=O)[C@H](C)c3ccccc3)C2)n1 ZINC001571313745 946532541 /nfs/dbraw/zinc/53/25/41/946532541.db2.gz VITIANAAXSVMOH-UKRRQHHQSA-N -1 1 392.467 1.718 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](NC(=O)[C@H](C)c3ccccc3)C2)n1 ZINC001571313745 946532545 /nfs/dbraw/zinc/53/25/45/946532545.db2.gz VITIANAAXSVMOH-UKRRQHHQSA-N -1 1 392.467 1.718 20 0 GDADMM Cc1cc(C)cc(C(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CC2(C)C)c1 ZINC001571315162 946546303 /nfs/dbraw/zinc/54/63/03/946546303.db2.gz GYFSRETTXBYNLI-MRXNPFEDSA-N -1 1 392.467 1.918 20 0 GDADMM Cc1cc(C)cc(C(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CC2(C)C)c1 ZINC001571315162 946546308 /nfs/dbraw/zinc/54/63/08/946546308.db2.gz GYFSRETTXBYNLI-MRXNPFEDSA-N -1 1 392.467 1.918 20 0 GDADMM Cc1ccc(C)c(CC(=O)N2CC[C@@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)c1 ZINC001571315665 946557466 /nfs/dbraw/zinc/55/74/66/946557466.db2.gz NLKCQICQOMSNDZ-MRXNPFEDSA-N -1 1 392.467 1.837 20 0 GDADMM Cc1ccc(C)c(CC(=O)N2CC[C@@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)c1 ZINC001571315665 946557474 /nfs/dbraw/zinc/55/74/74/946557474.db2.gz NLKCQICQOMSNDZ-MRXNPFEDSA-N -1 1 392.467 1.837 20 0 GDADMM Cc1cc(C)cc(C(=O)NC[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571315977 946561761 /nfs/dbraw/zinc/56/17/61/946561761.db2.gz QTHMRCUBXIMTFI-HNNXBMFYSA-N -1 1 392.467 1.920 20 0 GDADMM Cc1ccc(C)c(C(=O)N2CC[C@H](CN(C)c3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571316243 946570736 /nfs/dbraw/zinc/57/07/36/946570736.db2.gz XDZLSVPZLRGMIS-OAHLLOKOSA-N -1 1 392.467 1.872 20 0 GDADMM Cc1ccc(C)c(C(=O)N2CC[C@H](CN(C)c3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571316243 946570739 /nfs/dbraw/zinc/57/07/39/946570739.db2.gz XDZLSVPZLRGMIS-OAHLLOKOSA-N -1 1 392.467 1.872 20 0 GDADMM Cc1ccccc1CCC(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571316734 946587538 /nfs/dbraw/zinc/58/75/38/946587538.db2.gz KZMQEAFMWCTRES-INIZCTEOSA-N -1 1 392.467 1.635 20 0 GDADMM Cc1ccccc1C(=O)N1CCC[C@@H](CN(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571317228 946604675 /nfs/dbraw/zinc/60/46/75/946604675.db2.gz YNBDHXSFEZYREV-HNNXBMFYSA-N -1 1 392.467 1.954 20 0 GDADMM Cc1ccccc1C(=O)N1CCC[C@@H](CN(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571317228 946604682 /nfs/dbraw/zinc/60/46/82/946604682.db2.gz YNBDHXSFEZYREV-HNNXBMFYSA-N -1 1 392.467 1.954 20 0 GDADMM Cc1c(C(=O)N2CC[C@@H](Nc3snc(Cl)c3-c3nnn[n-]3)C2)ccn1C ZINC001571317569 946613653 /nfs/dbraw/zinc/61/36/53/946613653.db2.gz MVEYVCATIFXCKD-SECBINFHSA-N -1 1 392.876 1.950 20 0 GDADMM Cc1c(C(=O)N2CC[C@@H](Nc3snc(Cl)c3-c3nn[n-]n3)C2)ccn1C ZINC001571317569 946613658 /nfs/dbraw/zinc/61/36/58/946613658.db2.gz MVEYVCATIFXCKD-SECBINFHSA-N -1 1 392.876 1.950 20 0 GDADMM C[C@@H](C(=O)N1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1)n1cccc1 ZINC001571317830 946620959 /nfs/dbraw/zinc/62/09/59/946620959.db2.gz WNZLWNCRHDRUQK-JTQLQIEISA-N -1 1 392.876 1.688 20 0 GDADMM C[C@@H](C(=O)N1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1)n1cccc1 ZINC001571317830 946620965 /nfs/dbraw/zinc/62/09/65/946620965.db2.gz WNZLWNCRHDRUQK-JTQLQIEISA-N -1 1 392.876 1.688 20 0 GDADMM CC1(C)CC[C@@H]2C[C@H](NC(=O)Cn3cnc(-c4nn[n-]n4)n3)c3cccc1c32 ZINC000824801709 946936600 /nfs/dbraw/zinc/93/66/00/946936600.db2.gz GXCACAZRZJDWIH-RISCZKNCSA-N -1 1 378.440 1.874 20 0 GDADMM C[C@@H]1CC[C@@H](C(=O)OCC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)C1 ZINC000824907999 946987963 /nfs/dbraw/zinc/98/79/63/946987963.db2.gz MBECHDFPTINORB-CHWSQXEVSA-N -1 1 395.423 1.970 20 0 GDADMM C[C@@H]1CC[C@@H](C(=O)OCC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)C1 ZINC000824907999 946987974 /nfs/dbraw/zinc/98/79/74/946987974.db2.gz MBECHDFPTINORB-CHWSQXEVSA-N -1 1 395.423 1.970 20 0 GDADMM C[C@@H]1CC[C@H](C(=O)OCC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)C1 ZINC000824908000 946989352 /nfs/dbraw/zinc/98/93/52/946989352.db2.gz MBECHDFPTINORB-OLZOCXBDSA-N -1 1 395.423 1.970 20 0 GDADMM C[C@@H]1CC[C@H](C(=O)OCC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)C1 ZINC000824908000 946989363 /nfs/dbraw/zinc/98/93/63/946989363.db2.gz MBECHDFPTINORB-OLZOCXBDSA-N -1 1 395.423 1.970 20 0 GDADMM CCN(Cc1ccc(OC)cc1OC)C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825435004 947189044 /nfs/dbraw/zinc/18/90/44/947189044.db2.gz IYIRNLHUXCLHTP-UHFFFAOYSA-N -1 1 386.412 1.772 20 0 GDADMM CCN(Cc1ccc(OC)cc1OC)C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825435004 947189060 /nfs/dbraw/zinc/18/90/60/947189060.db2.gz IYIRNLHUXCLHTP-UHFFFAOYSA-N -1 1 386.412 1.772 20 0 GDADMM CCOC(=O)C[C@@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)c1ccccc1C ZINC000825508363 947207357 /nfs/dbraw/zinc/20/73/57/947207357.db2.gz XPSDAGXBYVBZNR-CQSZACIVSA-N -1 1 398.423 1.825 20 0 GDADMM CCOC(=O)C[C@@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)c1ccccc1C ZINC000825508363 947207373 /nfs/dbraw/zinc/20/73/73/947207373.db2.gz XPSDAGXBYVBZNR-CQSZACIVSA-N -1 1 398.423 1.825 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)Nc2cc(Cl)ccc2F)c1-c1nn[n-]n1 ZINC000825564822 947222586 /nfs/dbraw/zinc/22/25/86/947222586.db2.gz GWCDWXWKUJKEQH-UHFFFAOYSA-N -1 1 393.766 1.671 20 0 GDADMM C[C@@H](C(=O)N(C)[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1)c1ccccc1F ZINC001573586587 947291209 /nfs/dbraw/zinc/29/12/09/947291209.db2.gz RFCQIRIZDMYWAL-NWDGAFQWSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@@H](C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1)c1ccccc1F ZINC001573586587 947291218 /nfs/dbraw/zinc/29/12/18/947291218.db2.gz RFCQIRIZDMYWAL-NWDGAFQWSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@H](C(=O)N(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)n1cccc1 ZINC001573594561 947401397 /nfs/dbraw/zinc/40/13/97/947401397.db2.gz QLHSFCKXHZWQLU-IUODEOHRSA-N -1 1 381.444 1.368 20 0 GDADMM C[C@H](C(=O)N(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)n1cccc1 ZINC001573594561 947401403 /nfs/dbraw/zinc/40/14/03/947401403.db2.gz QLHSFCKXHZWQLU-IUODEOHRSA-N -1 1 381.444 1.368 20 0 GDADMM C[C@@H](C(=O)N(C)[C@@H](c1ncc[nH]1)c1ccc(F)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001573595227 947417546 /nfs/dbraw/zinc/41/75/46/947417546.db2.gz WSWOMVIIDRJLAY-GXFFZTMASA-N -1 1 396.390 1.129 20 0 GDADMM C[C@@H](C(=O)N(C)CCCN(C)c1cnc(-c2nnn[n-]2)cn1)c1cccnc1 ZINC001573596926 947434246 /nfs/dbraw/zinc/43/42/46/947434246.db2.gz MAILVAJQIKOARJ-CYBMUJFWSA-N -1 1 381.444 1.140 20 0 GDADMM C[C@@H](C(=O)N(C)CCCN(C)c1cnc(-c2nn[n-]n2)cn1)c1cccnc1 ZINC001573596926 947434254 /nfs/dbraw/zinc/43/42/54/947434254.db2.gz MAILVAJQIKOARJ-CYBMUJFWSA-N -1 1 381.444 1.140 20 0 GDADMM C[C@H](C(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1)c1ccc(Cl)cc1 ZINC001573603223 947481864 /nfs/dbraw/zinc/48/18/64/947481864.db2.gz FCQPJRZLYDARBX-NSHDSACASA-N -1 1 386.847 1.984 20 0 GDADMM C[C@H](C(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1)c1ccc(Cl)cc1 ZINC001573603223 947481874 /nfs/dbraw/zinc/48/18/74/947481874.db2.gz FCQPJRZLYDARBX-NSHDSACASA-N -1 1 386.847 1.984 20 0 GDADMM C[C@H](C(=O)N(C)CCNc1nccnc1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC001573603854 947499033 /nfs/dbraw/zinc/49/90/33/947499033.db2.gz KUGMUWMNALXLIN-NSHDSACASA-N -1 1 386.847 1.984 20 0 GDADMM C[C@H](C(=O)N(C)CCNc1nccnc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC001573603854 947499038 /nfs/dbraw/zinc/49/90/38/947499038.db2.gz KUGMUWMNALXLIN-NSHDSACASA-N -1 1 386.847 1.984 20 0 GDADMM C[C@@H](C(=O)N(C)CCNc1ccnc(-c2nn[n-]n2)n1)c1ccc(Cl)cc1 ZINC001573604207 947505082 /nfs/dbraw/zinc/50/50/82/947505082.db2.gz MLKBXQNCLOOFTM-LLVKDONJSA-N -1 1 386.847 1.406 20 0 GDADMM C[C@@H](C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1)c1c(F)cccc1F ZINC001573604742 947514951 /nfs/dbraw/zinc/51/49/51/947514951.db2.gz QRQIMPYSKZIZQR-SNVBAGLBSA-N -1 1 388.382 1.609 20 0 GDADMM C[C@@H](C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1)c1c(F)cccc1F ZINC001573604742 947514961 /nfs/dbraw/zinc/51/49/61/947514961.db2.gz QRQIMPYSKZIZQR-SNVBAGLBSA-N -1 1 388.382 1.609 20 0 GDADMM C[C@H](C(=O)N1CC[C@@](C)(CNc2nccnc2-c2nnn[n-]2)C1)C(C)(F)F ZINC001573614399 947584354 /nfs/dbraw/zinc/58/43/54/947584354.db2.gz DXEJOSQDVGXGHP-BMIGLBTASA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H](C(=O)N1CC[C@@](C)(CNc2nccnc2-c2nn[n-]n2)C1)C(C)(F)F ZINC001573614399 947584364 /nfs/dbraw/zinc/58/43/64/947584364.db2.gz DXEJOSQDVGXGHP-BMIGLBTASA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C(C)(C)C1)C(F)(F)F ZINC001573615087 947597964 /nfs/dbraw/zinc/59/79/64/947597964.db2.gz QMLCPCWWIQMPAD-RKDXNWHRSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C(C)(C)C1)C(F)(F)F ZINC001573615087 947597973 /nfs/dbraw/zinc/59/79/73/947597973.db2.gz QMLCPCWWIQMPAD-RKDXNWHRSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CN(C)c2cnc(-c3nnn[n-]3)cn2)C1)C1CCCC1 ZINC001573615165 947600342 /nfs/dbraw/zinc/60/03/42/947600342.db2.gz IFJWQSBDRUXMPC-UONOGXRCSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CN(C)c2cnc(-c3nn[n-]n3)cn2)C1)C1CCCC1 ZINC001573615165 947600353 /nfs/dbraw/zinc/60/03/53/947600353.db2.gz IFJWQSBDRUXMPC-UONOGXRCSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1)c1ccco1 ZINC001573615693 947609347 /nfs/dbraw/zinc/60/93/47/947609347.db2.gz JUEPBRIMHOJPNB-QWHCGFSZSA-N -1 1 382.428 1.338 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1)c1ccco1 ZINC001573615693 947609350 /nfs/dbraw/zinc/60/93/50/947609350.db2.gz JUEPBRIMHOJPNB-QWHCGFSZSA-N -1 1 382.428 1.338 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1cccs1 ZINC001573616007 947615069 /nfs/dbraw/zinc/61/50/69/947615069.db2.gz GZXTVTKJLFQHSS-VXGBXAGGSA-N -1 1 384.469 1.782 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573616007 947615077 /nfs/dbraw/zinc/61/50/77/947615077.db2.gz GZXTVTKJLFQHSS-VXGBXAGGSA-N -1 1 384.469 1.782 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001573617510 947639133 /nfs/dbraw/zinc/63/91/33/947639133.db2.gz PLJDQBNEYLMFMZ-UWVGGRQHSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001573617510 947639140 /nfs/dbraw/zinc/63/91/40/947639140.db2.gz PLJDQBNEYLMFMZ-UWVGGRQHSA-N -1 1 384.366 1.506 20 0 GDADMM C=Cc1ccc(C(=O)N[C@]2(C)CCN(c3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001573355910 947644644 /nfs/dbraw/zinc/64/46/44/947644644.db2.gz SJWHFMABVWHFBL-LJQANCHMSA-N -1 1 376.424 1.699 20 0 GDADMM C=Cc1ccc(C(=O)N[C@]2(C)CCN(c3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001573355910 947644655 /nfs/dbraw/zinc/64/46/55/947644655.db2.gz SJWHFMABVWHFBL-LJQANCHMSA-N -1 1 376.424 1.699 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1)c1ccsc1 ZINC001573619699 947669346 /nfs/dbraw/zinc/66/93/46/947669346.db2.gz XLIQYDMBOFKRJZ-RYUDHWBXSA-N -1 1 384.469 1.782 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1)c1ccsc1 ZINC001573619699 947669351 /nfs/dbraw/zinc/66/93/51/947669351.db2.gz XLIQYDMBOFKRJZ-RYUDHWBXSA-N -1 1 384.469 1.782 20 0 GDADMM C=Cc1ccc(C(=O)NCCN(CCC)c2cncc(-c3nnn[n-]3)n2)cc1 ZINC001573358879 947673218 /nfs/dbraw/zinc/67/32/18/947673218.db2.gz KWXCTIVHOXOXED-UHFFFAOYSA-N -1 1 378.440 1.946 20 0 GDADMM C=Cc1ccc(C(=O)NCCN(CCC)c2cncc(-c3nn[n-]n3)n2)cc1 ZINC001573358879 947673222 /nfs/dbraw/zinc/67/32/22/947673222.db2.gz KWXCTIVHOXOXED-UHFFFAOYSA-N -1 1 378.440 1.946 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C)cc1 ZINC001573359136 947679649 /nfs/dbraw/zinc/67/96/49/947679649.db2.gz OUIFHKUJERTYEL-CZUORRHYSA-N -1 1 390.451 1.802 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C)cc1 ZINC001573359136 947679657 /nfs/dbraw/zinc/67/96/57/947679657.db2.gz OUIFHKUJERTYEL-CZUORRHYSA-N -1 1 390.451 1.802 20 0 GDADMM C/C(=C/C(=O)N1C[C@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@@]2(C)C1)C1CC1 ZINC001573361799 947695717 /nfs/dbraw/zinc/69/57/17/947695717.db2.gz DYKSLKLTZRYHOX-WCWQORQUSA-N -1 1 394.483 1.606 20 0 GDADMM C/C(=C/C(=O)N1C[C@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@@]2(C)C1)C1CC1 ZINC001573361799 947695724 /nfs/dbraw/zinc/69/57/24/947695724.db2.gz DYKSLKLTZRYHOX-WCWQORQUSA-N -1 1 394.483 1.606 20 0 GDADMM C/C(=C\C(=O)N1CCCC[C@@H]1[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573363988 947716632 /nfs/dbraw/zinc/71/66/32/947716632.db2.gz OTGCVLPFPZXTKN-QXFGWPSGSA-N -1 1 382.472 1.616 20 0 GDADMM C[C@@H](C(=O)N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1)c1cccs1 ZINC001573627090 947717951 /nfs/dbraw/zinc/71/79/51/947717951.db2.gz YOEFVCNYAYVJON-LLVKDONJSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@@H](C(=O)N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1)c1cccs1 ZINC001573627090 947717964 /nfs/dbraw/zinc/71/79/64/947717964.db2.gz YOEFVCNYAYVJON-LLVKDONJSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](CN(C)c2cnc(-c3nnn[n-]3)cn2)C1)C1CCC1 ZINC001573628221 947748092 /nfs/dbraw/zinc/74/80/92/947748092.db2.gz GRDWEZMKDWZNLG-KGLIPLIRSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](CN(C)c2cnc(-c3nn[n-]n3)cn2)C1)C1CCC1 ZINC001573628221 947748094 /nfs/dbraw/zinc/74/80/94/947748094.db2.gz GRDWEZMKDWZNLG-KGLIPLIRSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1)C1CCCC1 ZINC001573628851 947764802 /nfs/dbraw/zinc/76/48/02/947764802.db2.gz KPUYRXFBKKHNNQ-ZFWWWQNUSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1)C1CCCC1 ZINC001573628851 947764810 /nfs/dbraw/zinc/76/48/10/947764810.db2.gz KPUYRXFBKKHNNQ-ZFWWWQNUSA-N -1 1 384.488 1.910 20 0 GDADMM CC(=O)CCCC(=O)N1CCC([C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573368743 947768891 /nfs/dbraw/zinc/76/88/91/947768891.db2.gz OPVHHUPRMKHJKY-CYBMUJFWSA-N -1 1 386.460 1.455 20 0 GDADMM CC(=O)CCCC(=O)N1CCC([C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573368743 947768895 /nfs/dbraw/zinc/76/88/95/947768895.db2.gz OPVHHUPRMKHJKY-CYBMUJFWSA-N -1 1 386.460 1.455 20 0 GDADMM C[C@H](C(=O)N1CC[C@@]2(C1)CCCN(c1cnc(-c3nnn[n-]3)cn1)C2)C1CC1 ZINC001573629293 947777036 /nfs/dbraw/zinc/77/70/36/947777036.db2.gz NHMUGCABFUBYTD-DJJJIMSYSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H](C(=O)N1CC[C@@]2(C1)CCCN(c1cnc(-c3nn[n-]n3)cn1)C2)C1CC1 ZINC001573629293 947777042 /nfs/dbraw/zinc/77/70/42/947777042.db2.gz NHMUGCABFUBYTD-DJJJIMSYSA-N -1 1 382.472 1.522 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)[C@H](C)C1 ZINC001573372989 947786154 /nfs/dbraw/zinc/78/61/54/947786154.db2.gz GTFNKTNSRCIYOB-OCCSQVGLSA-N -1 1 386.460 1.313 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)[C@H](C)C1 ZINC001573372989 947786167 /nfs/dbraw/zinc/78/61/67/947786167.db2.gz GTFNKTNSRCIYOB-OCCSQVGLSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)c1cccs1 ZINC001573630253 947790643 /nfs/dbraw/zinc/79/06/43/947790643.db2.gz XCJNCDVGUZTGTC-VXGBXAGGSA-N -1 1 384.469 1.347 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@@H](C)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001573374221 947807450 /nfs/dbraw/zinc/80/74/50/947807450.db2.gz NKHUJWXOFHTVQC-OCCSQVGLSA-N -1 1 386.460 1.455 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@@H](C)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001573374221 947807463 /nfs/dbraw/zinc/80/74/63/947807463.db2.gz NKHUJWXOFHTVQC-OCCSQVGLSA-N -1 1 386.460 1.455 20 0 GDADMM Cc1onc(CC(=O)Nc2cc(C(=O)NC3CC3)ccc2C)c1-c1nnn[n-]1 ZINC000826281874 947810480 /nfs/dbraw/zinc/81/04/80/947810480.db2.gz NJQSFMFGHUAOIE-UHFFFAOYSA-N -1 1 381.396 1.545 20 0 GDADMM Cc1onc(CC(=O)Nc2cc(C(=O)NC3CC3)ccc2C)c1-c1nn[n-]n1 ZINC000826281874 947810492 /nfs/dbraw/zinc/81/04/92/947810492.db2.gz NJQSFMFGHUAOIE-UHFFFAOYSA-N -1 1 381.396 1.545 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573374713 947813941 /nfs/dbraw/zinc/81/39/41/947813941.db2.gz PKDRFQSBWWAUTD-AWEZNQCLSA-N -1 1 386.460 1.091 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573374713 947813946 /nfs/dbraw/zinc/81/39/46/947813946.db2.gz PKDRFQSBWWAUTD-AWEZNQCLSA-N -1 1 386.460 1.091 20 0 GDADMM CC(=O)CCCC(=O)NC1(C)CCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573375117 947815431 /nfs/dbraw/zinc/81/54/31/947815431.db2.gz MFMFYTQOBGFJLS-UHFFFAOYSA-N -1 1 386.460 1.200 20 0 GDADMM CC(=O)CCCC(=O)NC1(C)CCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573375117 947815437 /nfs/dbraw/zinc/81/54/37/947815437.db2.gz MFMFYTQOBGFJLS-UHFFFAOYSA-N -1 1 386.460 1.200 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CC[C@@H](C)N(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573375073 947816027 /nfs/dbraw/zinc/81/60/27/947816027.db2.gz LZLMXAKDODHKFV-ZWNOBZJWSA-N -1 1 391.501 1.864 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)[C@H]1C ZINC001573375271 947817964 /nfs/dbraw/zinc/81/79/64/947817964.db2.gz NIWMKSUGLWKHPG-UONOGXRCSA-N -1 1 386.460 1.198 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)[C@H]1C ZINC001573375271 947817972 /nfs/dbraw/zinc/81/79/72/947817972.db2.gz NIWMKSUGLWKHPG-UONOGXRCSA-N -1 1 386.460 1.198 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@H]([C@@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573375604 947820300 /nfs/dbraw/zinc/82/03/00/947820300.db2.gz SIOZCPUFRIHCTC-KGLIPLIRSA-N -1 1 386.460 1.455 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@H]([C@@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573375604 947820305 /nfs/dbraw/zinc/82/03/05/947820305.db2.gz SIOZCPUFRIHCTC-KGLIPLIRSA-N -1 1 386.460 1.455 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@H](C)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573376125 947828549 /nfs/dbraw/zinc/82/85/49/947828549.db2.gz WWMUIHBWIBDUKW-SWLSCSKDSA-N -1 1 386.460 1.455 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@H](C)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573376125 947828553 /nfs/dbraw/zinc/82/85/53/947828553.db2.gz WWMUIHBWIBDUKW-SWLSCSKDSA-N -1 1 386.460 1.455 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@@H](C)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001573377967 947852668 /nfs/dbraw/zinc/85/26/68/947852668.db2.gz UOEROENGPZWWIU-OCCSQVGLSA-N -1 1 386.460 1.455 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@@H](C)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001573377967 947852673 /nfs/dbraw/zinc/85/26/73/947852673.db2.gz UOEROENGPZWWIU-OCCSQVGLSA-N -1 1 386.460 1.455 20 0 GDADMM CC(=O)CCCC(=O)NC[C@@H]1CN(c2snc(C)c2-c2nn[n-]n2)C[C@H]1C ZINC001573383211 947889752 /nfs/dbraw/zinc/88/97/52/947889752.db2.gz QANCGEZYUCHKJA-ZWNOBZJWSA-N -1 1 391.501 1.579 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)[C@H](C)C1)c1ccco1 ZINC001573647463 947894418 /nfs/dbraw/zinc/89/44/18/947894418.db2.gz LWNAZSKKNJOFAD-JHJVBQTASA-N -1 1 382.428 1.560 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)[C@H](C)C1)c1ccco1 ZINC001573647463 947894422 /nfs/dbraw/zinc/89/44/22/947894422.db2.gz LWNAZSKKNJOFAD-JHJVBQTASA-N -1 1 382.428 1.560 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1)C(C)(C)C ZINC001573650649 947911120 /nfs/dbraw/zinc/91/11/20/947911120.db2.gz CQCHKSYXRCLGRG-MCIONIFRSA-N -1 1 384.488 1.624 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1)C(C)(C)C ZINC001573650649 947911126 /nfs/dbraw/zinc/91/11/26/947911126.db2.gz CQCHKSYXRCLGRG-MCIONIFRSA-N -1 1 384.488 1.624 20 0 GDADMM Cc1ccnc(OC2CCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CC2)c1 ZINC000826314870 947919117 /nfs/dbraw/zinc/91/91/17/947919117.db2.gz PZLZWFGLDTXACD-UHFFFAOYSA-N -1 1 383.416 1.379 20 0 GDADMM Cc1ccnc(OC2CCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CC2)c1 ZINC000826314870 947919122 /nfs/dbraw/zinc/91/91/22/947919122.db2.gz PZLZWFGLDTXACD-UHFFFAOYSA-N -1 1 383.416 1.379 20 0 GDADMM C[C@@H](C(=O)N[C@](C)(CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)C(C)(F)F ZINC001573652542 947943085 /nfs/dbraw/zinc/94/30/85/947943085.db2.gz DLKZLJPSSLYLEO-BJOHPYRUSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@@H](C(=O)N[C@](C)(CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)C(C)(F)F ZINC001573652542 947943087 /nfs/dbraw/zinc/94/30/87/947943087.db2.gz DLKZLJPSSLYLEO-BJOHPYRUSA-N -1 1 380.403 1.645 20 0 GDADMM Cc1oc(NC(=O)COC(=O)c2ccn(C(F)F)n2)c(-c2nn[n-]n2)c1C ZINC000826342207 947981139 /nfs/dbraw/zinc/98/11/39/947981139.db2.gz AXFLDMVVEHNYCV-UHFFFAOYSA-N -1 1 381.299 1.464 20 0 GDADMM C[C@@H](C(=O)NC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C1CCCC1 ZINC001573658172 948007454 /nfs/dbraw/zinc/00/74/54/948007454.db2.gz QSQDRPXCXDAOPJ-CYBMUJFWSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](C(=O)NC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C1CCCC1 ZINC001573658172 948007461 /nfs/dbraw/zinc/00/74/61/948007461.db2.gz QSQDRPXCXDAOPJ-CYBMUJFWSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](C(=O)N[C@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1)c1cccs1 ZINC001573658161 948007979 /nfs/dbraw/zinc/00/79/79/948007979.db2.gz QRTFWZFUBMMUCI-PIGZYNQJSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)N[C@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1)c1cccs1 ZINC001573658161 948007985 /nfs/dbraw/zinc/00/79/85/948007985.db2.gz QRTFWZFUBMMUCI-PIGZYNQJSA-N -1 1 384.469 1.607 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)c1-c1nnn[n-]1 ZINC000826344515 948009744 /nfs/dbraw/zinc/00/97/44/948009744.db2.gz KCUPOORYLGGFKT-GOEBONIOSA-N -1 1 382.424 1.820 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)c1-c1nn[n-]n1 ZINC000826344515 948009753 /nfs/dbraw/zinc/00/97/53/948009753.db2.gz KCUPOORYLGGFKT-GOEBONIOSA-N -1 1 382.424 1.820 20 0 GDADMM C[C@@H](C(=O)NC1(C)CCN(c2cncc(-c3nnn[n-]3)n2)CC1)n1cccc1 ZINC001573658865 948012053 /nfs/dbraw/zinc/01/20/53/948012053.db2.gz TYTORWBWIGASEH-ZDUSSCGKSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](C(=O)NC1(C)CCN(c2cncc(-c3nn[n-]n3)n2)CC1)n1cccc1 ZINC001573658865 948012063 /nfs/dbraw/zinc/01/20/63/948012063.db2.gz TYTORWBWIGASEH-ZDUSSCGKSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](C(=O)N[C@@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccsc1 ZINC001573659121 948014346 /nfs/dbraw/zinc/01/43/46/948014346.db2.gz VNRPSNWMPUNVLD-DIFFPNOSSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)N[C@@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccsc1 ZINC001573659121 948014355 /nfs/dbraw/zinc/01/43/55/948014355.db2.gz VNRPSNWMPUNVLD-DIFFPNOSSA-N -1 1 384.469 1.607 20 0 GDADMM Cc1onc(CC(=O)N2CCN(c3ccc(Cl)cn3)CC2)c1-c1nnn[n-]1 ZINC000826345002 948016346 /nfs/dbraw/zinc/01/63/46/948016346.db2.gz ZCSILSASCUPQOS-UHFFFAOYSA-N -1 1 388.819 1.103 20 0 GDADMM Cc1onc(CC(=O)N2CCN(c3ccc(Cl)cn3)CC2)c1-c1nn[n-]n1 ZINC000826345002 948016352 /nfs/dbraw/zinc/01/63/52/948016352.db2.gz ZCSILSASCUPQOS-UHFFFAOYSA-N -1 1 388.819 1.103 20 0 GDADMM C[C@H](C(=O)NC1(CNc2ccc(-c3nnn[n-]3)nn2)CCCC1)[C@H]1CCCO1 ZINC001573660073 948017988 /nfs/dbraw/zinc/01/79/88/948017988.db2.gz XWYSZUXNNSXVIU-GXTWGEPZSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](C(=O)NC1(CNc2ccc(-c3nn[n-]n3)nn2)CCCC1)[C@H]1CCCO1 ZINC001573660073 948017998 /nfs/dbraw/zinc/01/79/98/948017998.db2.gz XWYSZUXNNSXVIU-GXTWGEPZSA-N -1 1 386.460 1.313 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c1-c1nnn[n-]1 ZINC000826345302 948021094 /nfs/dbraw/zinc/02/10/94/948021094.db2.gz ILKFEFGSUBGXSN-JTQLQIEISA-N -1 1 395.423 1.932 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c1-c1nn[n-]n1 ZINC000826345302 948021102 /nfs/dbraw/zinc/02/11/02/948021102.db2.gz ILKFEFGSUBGXSN-JTQLQIEISA-N -1 1 395.423 1.932 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](C)c2cccc(-n3cccn3)c2)c1-c1nnn[n-]1 ZINC000826345335 948024806 /nfs/dbraw/zinc/02/48/06/948024806.db2.gz JICCXZONGIQAPS-NSHDSACASA-N -1 1 378.396 1.769 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](C)c2cccc(-n3cccn3)c2)c1-c1nn[n-]n1 ZINC000826345335 948024815 /nfs/dbraw/zinc/02/48/15/948024815.db2.gz JICCXZONGIQAPS-NSHDSACASA-N -1 1 378.396 1.769 20 0 GDADMM Cc1onc(CC(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3C)c1-c1nnn[n-]1 ZINC000826345560 948025530 /nfs/dbraw/zinc/02/55/30/948025530.db2.gz NTLZIRGFGIKAGV-SECBINFHSA-N -1 1 381.396 1.102 20 0 GDADMM Cc1onc(CC(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3C)c1-c1nn[n-]n1 ZINC000826345560 948025538 /nfs/dbraw/zinc/02/55/38/948025538.db2.gz NTLZIRGFGIKAGV-SECBINFHSA-N -1 1 381.396 1.102 20 0 GDADMM Cc1onc(CC(=O)N[C@H]2CCCc3c2cnn3C(C)(C)C)c1-c1nnn[n-]1 ZINC000826346514 948040467 /nfs/dbraw/zinc/04/04/67/948040467.db2.gz ODBWYBDAWABICT-LBPRGKRZSA-N -1 1 384.444 1.851 20 0 GDADMM Cc1onc(CC(=O)N[C@H]2CCCc3c2cnn3C(C)(C)C)c1-c1nn[n-]n1 ZINC000826346514 948040476 /nfs/dbraw/zinc/04/04/76/948040476.db2.gz ODBWYBDAWABICT-LBPRGKRZSA-N -1 1 384.444 1.851 20 0 GDADMM C[C@@H](C(=O)NC1CCC(Nc2nccnc2-c2nnn[n-]2)CC1)C(C)(F)F ZINC001573663811 948042181 /nfs/dbraw/zinc/04/21/81/948042181.db2.gz AJAUVMAWGZFJGT-WHXUTIOJSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@@H](C(=O)NC1CCC(Nc2nccnc2-c2nn[n-]n2)CC1)C(C)(F)F ZINC001573663811 948042186 /nfs/dbraw/zinc/04/21/86/948042186.db2.gz AJAUVMAWGZFJGT-WHXUTIOJSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1)c1ccco1 ZINC001573664543 948054900 /nfs/dbraw/zinc/05/49/00/948054900.db2.gz FPJOPEFBGKFHAL-OLZOCXBDSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1)c1ccco1 ZINC001573664543 948054908 /nfs/dbraw/zinc/05/49/08/948054908.db2.gz FPJOPEFBGKFHAL-OLZOCXBDSA-N -1 1 382.428 1.529 20 0 GDADMM Cc1onc(CC(=O)Nc2cc(F)cc(N3CCOCC3)c2)c1-c1nnn[n-]1 ZINC000826348511 948075812 /nfs/dbraw/zinc/07/58/12/948075812.db2.gz QCEAUSSIPYLIHC-UHFFFAOYSA-N -1 1 387.375 1.320 20 0 GDADMM Cc1onc(CC(=O)Nc2cc(F)cc(N3CCOCC3)c2)c1-c1nn[n-]n1 ZINC000826348511 948075822 /nfs/dbraw/zinc/07/58/22/948075822.db2.gz QCEAUSSIPYLIHC-UHFFFAOYSA-N -1 1 387.375 1.320 20 0 GDADMM Cc1onc(CC(=O)Nc2ccccc2NC(=O)NC(C)C)c1-c1nnn[n-]1 ZINC000826348763 948081620 /nfs/dbraw/zinc/08/16/20/948081620.db2.gz CQIZDMIDFUEBEW-UHFFFAOYSA-N -1 1 384.400 1.874 20 0 GDADMM Cc1onc(CC(=O)Nc2ccccc2NC(=O)NC(C)C)c1-c1nn[n-]n1 ZINC000826348763 948081629 /nfs/dbraw/zinc/08/16/29/948081629.db2.gz CQIZDMIDFUEBEW-UHFFFAOYSA-N -1 1 384.400 1.874 20 0 GDADMM Cc1onc(CC(=O)Nc2ccnn2Cc2ccc(F)cc2)c1-c1nnn[n-]1 ZINC000826348802 948084373 /nfs/dbraw/zinc/08/43/73/948084373.db2.gz FRKQDNKHWGZOFT-UHFFFAOYSA-N -1 1 382.359 1.728 20 0 GDADMM Cc1onc(CC(=O)Nc2ccnn2Cc2ccc(F)cc2)c1-c1nn[n-]n1 ZINC000826348802 948084385 /nfs/dbraw/zinc/08/43/85/948084385.db2.gz FRKQDNKHWGZOFT-UHFFFAOYSA-N -1 1 382.359 1.728 20 0 GDADMM Cc1onc(CC(=O)Nc2cccc(Oc3cccnn3)c2)c1-c1nnn[n-]1 ZINC000826349094 948087269 /nfs/dbraw/zinc/08/72/69/948087269.db2.gz SUORDVKNVKCZCU-UHFFFAOYSA-N -1 1 378.352 1.927 20 0 GDADMM Cc1onc(CC(=O)Nc2cccc(Oc3cccnn3)c2)c1-c1nn[n-]n1 ZINC000826349094 948087279 /nfs/dbraw/zinc/08/72/79/948087279.db2.gz SUORDVKNVKCZCU-UHFFFAOYSA-N -1 1 378.352 1.927 20 0 GDADMM C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)C(C)(C)C ZINC001573666613 948088935 /nfs/dbraw/zinc/08/89/35/948088935.db2.gz UOXVCMQFPGLXEZ-RLAWYHOSSA-N -1 1 384.488 1.955 20 0 GDADMM C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)C(C)(C)C ZINC001573666613 948088943 /nfs/dbraw/zinc/08/89/43/948088943.db2.gz UOXVCMQFPGLXEZ-RLAWYHOSSA-N -1 1 384.488 1.955 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2)C1CCC1 ZINC001573666822 948092655 /nfs/dbraw/zinc/09/26/55/948092655.db2.gz WNOFYHQIDOIENU-GXTWGEPZSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2)C1CCC1 ZINC001573666822 948092664 /nfs/dbraw/zinc/09/26/64/948092664.db2.gz WNOFYHQIDOIENU-GXTWGEPZSA-N -1 1 382.472 1.568 20 0 GDADMM Cc1sc2ncc(C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])c(=O)n2c1C ZINC000826349954 948094607 /nfs/dbraw/zinc/09/46/07/948094607.db2.gz BCEDENBBYQOWLL-UHFFFAOYSA-N -1 1 383.393 1.511 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2)C1CCC1 ZINC001573667311 948097054 /nfs/dbraw/zinc/09/70/54/948097054.db2.gz YXRCFBIWGAHEBU-SWLSCSKDSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2)C1CCC1 ZINC001573667311 948097059 /nfs/dbraw/zinc/09/70/59/948097059.db2.gz YXRCFBIWGAHEBU-SWLSCSKDSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C)C1CCC1 ZINC001573670261 948100375 /nfs/dbraw/zinc/10/03/75/948100375.db2.gz ALKXJBZWUZJBTL-DOMZBBRYSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C)C1CCC1 ZINC001573670261 948100382 /nfs/dbraw/zinc/10/03/82/948100382.db2.gz ALKXJBZWUZJBTL-DOMZBBRYSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C)C1CCC1 ZINC001573670263 948101220 /nfs/dbraw/zinc/10/12/20/948101220.db2.gz ALKXJBZWUZJBTL-IUODEOHRSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C)C1CCC1 ZINC001573670263 948101224 /nfs/dbraw/zinc/10/12/24/948101224.db2.gz ALKXJBZWUZJBTL-IUODEOHRSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)CC(C)(C)C1)C1CC1 ZINC001573675363 948121463 /nfs/dbraw/zinc/12/14/63/948121463.db2.gz PSQWPUWWUMWROK-TZMCWYRMSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)CC(C)(C)C1)C1CC1 ZINC001573675363 948121466 /nfs/dbraw/zinc/12/14/66/948121466.db2.gz PSQWPUWWUMWROK-TZMCWYRMSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C(=O)N[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C[C@H]1O)=C1CCC1 ZINC001573676782 948129052 /nfs/dbraw/zinc/12/90/52/948129052.db2.gz VLLMBOUSBRVHGJ-CHWSQXEVSA-N -1 1 389.485 1.188 20 0 GDADMM C[C@@H](C(=O)NC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1)c1cccnc1 ZINC001573678285 948147919 /nfs/dbraw/zinc/14/79/19/948147919.db2.gz CKNTZXORWWWNKR-BXUZGUMPSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@@H](C(=O)NC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1)c1cccnc1 ZINC001573678285 948147926 /nfs/dbraw/zinc/14/79/26/948147926.db2.gz CKNTZXORWWWNKR-BXUZGUMPSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@H](C(=O)N[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C)n1cccc1 ZINC001573680256 948174911 /nfs/dbraw/zinc/17/49/11/948174911.db2.gz OYNQTPNCKXWRLU-OCCSQVGLSA-N -1 1 381.444 1.050 20 0 GDADMM C[C@H](C(=O)N[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C)n1cccc1 ZINC001573680256 948174918 /nfs/dbraw/zinc/17/49/18/948174918.db2.gz OYNQTPNCKXWRLU-OCCSQVGLSA-N -1 1 381.444 1.050 20 0 GDADMM CC(C)[C@@H](CNC(=O)[C@@H](C)c1cccnc1)Nc1nccnc1-c1nnn[n-]1 ZINC001573680818 948188508 /nfs/dbraw/zinc/18/85/08/948188508.db2.gz QHFIMHONHFRKDT-GXTWGEPZSA-N -1 1 381.444 1.408 20 0 GDADMM CC(C)[C@@H](CNC(=O)[C@@H](C)c1cccnc1)Nc1nccnc1-c1nn[n-]n1 ZINC001573680818 948188512 /nfs/dbraw/zinc/18/85/12/948188512.db2.gz QHFIMHONHFRKDT-GXTWGEPZSA-N -1 1 381.444 1.408 20 0 GDADMM CC(=O)N1CCC(CO[C@@H]2CCN(c3snc(C)c3-c3nn[n-]n3)C2)CC1 ZINC001573432611 948190933 /nfs/dbraw/zinc/19/09/33/948190933.db2.gz DRIQRGPCCQRNLF-CQSZACIVSA-N -1 1 391.501 1.485 20 0 GDADMM C[C@H](C(=O)N[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C)n1cccc1 ZINC001573681103 948196040 /nfs/dbraw/zinc/19/60/40/948196040.db2.gz ULALULBOTZOTCS-OLZOCXBDSA-N -1 1 381.444 1.050 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001573703763 948360380 /nfs/dbraw/zinc/36/03/80/948360380.db2.gz MLLYHUYYKYEFSD-UONOGXRCSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001573703763 948360390 /nfs/dbraw/zinc/36/03/90/948360390.db2.gz MLLYHUYYKYEFSD-UONOGXRCSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCCCN1c1nccnc1-c1nnn[n-]1)C1CCC1 ZINC001573704117 948366693 /nfs/dbraw/zinc/36/66/93/948366693.db2.gz PCUQSTAVPSRELZ-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCCCN1c1nccnc1-c1nn[n-]n1)C1CCC1 ZINC001573704117 948366697 /nfs/dbraw/zinc/36/66/97/948366697.db2.gz PCUQSTAVPSRELZ-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)C1CCCC1 ZINC001573704663 948381056 /nfs/dbraw/zinc/38/10/56/948381056.db2.gz UMGLNVPYQWBYHG-ZIAGYGMSSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)C1CCCC1 ZINC001573704663 948381066 /nfs/dbraw/zinc/38/10/66/948381066.db2.gz UMGLNVPYQWBYHG-ZIAGYGMSSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NCCC1(CNc2cncc(-c3nnn[n-]3)n2)CC1)[C@@H]1CCCO1 ZINC001573704975 948386579 /nfs/dbraw/zinc/38/65/79/948386579.db2.gz CFAYHNBOFVENHF-OCCSQVGLSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](C(=O)NCCC1(CNc2cncc(-c3nn[n-]n3)n2)CC1)[C@@H]1CCCO1 ZINC001573704975 948386586 /nfs/dbraw/zinc/38/65/86/948386586.db2.gz CFAYHNBOFVENHF-OCCSQVGLSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCC1(F)F)C1CC1 ZINC001573705477 948402825 /nfs/dbraw/zinc/40/28/25/948402825.db2.gz FQVGPUDHDCDBIP-ZYHUDNBSSA-N -1 1 392.414 1.281 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccsc1 ZINC001573706552 948420274 /nfs/dbraw/zinc/42/02/74/948420274.db2.gz LRVLDWCUFBWATM-NEPJUHHUSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccsc1 ZINC001573706552 948420279 /nfs/dbraw/zinc/42/02/79/948420279.db2.gz LRVLDWCUFBWATM-NEPJUHHUSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1)C1CC1 ZINC001573708139 948444756 /nfs/dbraw/zinc/44/47/56/948444756.db2.gz RWJRGVADDNICGA-IUCAKERBSA-N -1 1 381.893 1.965 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1)C1CC1 ZINC001573708139 948444762 /nfs/dbraw/zinc/44/47/62/948444762.db2.gz RWJRGVADDNICGA-IUCAKERBSA-N -1 1 381.893 1.965 20 0 GDADMM C[C@@H](C(=O)NCCC1(CNc2cnc(-c3nnn[n-]3)cn2)CC1)c1ccco1 ZINC001573708467 948452104 /nfs/dbraw/zinc/45/21/04/948452104.db2.gz VAWFYKVNUUBJHK-GFCCVEGCSA-N -1 1 382.428 1.752 20 0 GDADMM C[C@@H](C(=O)NCCC1(CNc2cnc(-c3nn[n-]n3)cn2)CC1)c1ccco1 ZINC001573708467 948452109 /nfs/dbraw/zinc/45/21/09/948452109.db2.gz VAWFYKVNUUBJHK-GFCCVEGCSA-N -1 1 382.428 1.752 20 0 GDADMM C[C@@H](C(=O)NCCC1(CNc2cncc(-c3nnn[n-]3)n2)CC1)C(F)(F)F ZINC001573708946 948463312 /nfs/dbraw/zinc/46/33/12/948463312.db2.gz ZEHOODXSQYEJDK-VIFPVBQESA-N -1 1 384.366 1.554 20 0 GDADMM C[C@@H](C(=O)NCCC1(CNc2cncc(-c3nn[n-]n3)n2)CC1)C(F)(F)F ZINC001573708946 948463315 /nfs/dbraw/zinc/46/33/15/948463315.db2.gz ZEHOODXSQYEJDK-VIFPVBQESA-N -1 1 384.366 1.554 20 0 GDADMM C[C@@H](CCNC(=O)[C@@H](C)c1cccc(F)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573719342 948524382 /nfs/dbraw/zinc/52/43/82/948524382.db2.gz VKKNCPCILCRGAX-RYUDHWBXSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@@H](CCNC(=O)[C@@H](C)c1cccc(F)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573719342 948524387 /nfs/dbraw/zinc/52/43/87/948524387.db2.gz VKKNCPCILCRGAX-RYUDHWBXSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573726226 948548450 /nfs/dbraw/zinc/54/84/50/948548450.db2.gz GFHDUARCHFXERP-VIRABCJISA-N -1 1 382.472 1.566 20 0 GDADMM C[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573726226 948548457 /nfs/dbraw/zinc/54/84/57/948548457.db2.gz GFHDUARCHFXERP-VIRABCJISA-N -1 1 382.472 1.566 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001573727379 948554382 /nfs/dbraw/zinc/55/43/82/948554382.db2.gz MSIVVLJSXPILOD-MELADBBJSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001573727379 948554390 /nfs/dbraw/zinc/55/43/90/948554390.db2.gz MSIVVLJSXPILOD-MELADBBJSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cccnc1 ZINC001573729016 948565624 /nfs/dbraw/zinc/56/56/24/948565624.db2.gz SFBLGBGKGMEEFB-BZPMIXESSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cccnc1 ZINC001573729016 948565635 /nfs/dbraw/zinc/56/56/35/948565635.db2.gz SFBLGBGKGMEEFB-BZPMIXESSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C)C(C)(F)F ZINC001573729905 948572903 /nfs/dbraw/zinc/57/29/03/948572903.db2.gz WKPGFPFGCFRFOH-GMTAPVOTSA-N -1 1 380.403 1.137 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C)C(C)(F)F ZINC001573729905 948572907 /nfs/dbraw/zinc/57/29/07/948572907.db2.gz WKPGFPFGCFRFOH-GMTAPVOTSA-N -1 1 380.403 1.137 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C)C1CCCC1 ZINC001573730142 948576925 /nfs/dbraw/zinc/57/69/25/948576925.db2.gz YPIYRJLVXFICCC-UMVBOHGHSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C)C1CCCC1 ZINC001573730142 948576932 /nfs/dbraw/zinc/57/69/32/948576932.db2.gz YPIYRJLVXFICCC-UMVBOHGHSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@@H](C(=O)N[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1)c1ccc(F)cc1F ZINC001573730597 948582585 /nfs/dbraw/zinc/58/25/85/948582585.db2.gz ACHAAVREAMKDPB-VHSXEESVSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@@H](C(=O)N[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1)c1ccc(F)cc1F ZINC001573730597 948582589 /nfs/dbraw/zinc/58/25/89/948582589.db2.gz ACHAAVREAMKDPB-VHSXEESVSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@H](C(=O)NC[C@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2)C1CC1 ZINC001573731388 948590804 /nfs/dbraw/zinc/59/08/04/948590804.db2.gz WJPUQYDZCPCECW-IOHHAYIISA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](C(=O)NC[C@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2)C1CC1 ZINC001573731388 948590810 /nfs/dbraw/zinc/59/08/10/948590810.db2.gz WJPUQYDZCPCECW-IOHHAYIISA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1cncc(-c2nnn[n-]2)n1)c1ccco1 ZINC001573736065 948610855 /nfs/dbraw/zinc/61/08/55/948610855.db2.gz FLEXHNQVYIBCPJ-JHJVBQTASA-N -1 1 382.428 1.893 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1cncc(-c2nn[n-]n2)n1)c1ccco1 ZINC001573736065 948610860 /nfs/dbraw/zinc/61/08/60/948610860.db2.gz FLEXHNQVYIBCPJ-JHJVBQTASA-N -1 1 382.428 1.893 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573736060 948611348 /nfs/dbraw/zinc/61/13/48/948611348.db2.gz FANKBCHKXYPMGZ-VXGBXAGGSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C)c1ccsc1 ZINC001573745200 948671381 /nfs/dbraw/zinc/67/13/81/948671381.db2.gz CIKMXLFKHIUJIS-WZRBSPASSA-N -1 1 384.469 1.605 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C)c1ccsc1 ZINC001573745200 948671385 /nfs/dbraw/zinc/67/13/85/948671385.db2.gz CIKMXLFKHIUJIS-WZRBSPASSA-N -1 1 384.469 1.605 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1)c1cccnc1 ZINC001573753407 948719339 /nfs/dbraw/zinc/71/93/39/948719339.db2.gz TWNVCKBCXQJKJX-UYHMYPTGSA-N -1 1 391.439 1.081 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1)c1cccnc1 ZINC001573753407 948719345 /nfs/dbraw/zinc/71/93/45/948719345.db2.gz TWNVCKBCXQJKJX-UYHMYPTGSA-N -1 1 391.439 1.081 20 0 GDADMM CC(C)c1ccc(C(=O)NC[C@H](C)N(C)c2ccnc(-c3nn[n-]n3)n2)cn1 ZINC001574416150 948743794 /nfs/dbraw/zinc/74/37/94/948743794.db2.gz PPRRBMRCPQRFFB-LBPRGKRZSA-N -1 1 381.444 1.430 20 0 GDADMM CC(C)c1ccc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001574416324 948747193 /nfs/dbraw/zinc/74/71/93/948747193.db2.gz QOLJRXWWRRQDDJ-OAHLLOKOSA-N -1 1 378.440 1.529 20 0 GDADMM CC(C)c1ccc(C(=O)N2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)nc1 ZINC001574416485 948749697 /nfs/dbraw/zinc/74/96/97/948749697.db2.gz VFEBMRKUJIAPDM-UHFFFAOYSA-N -1 1 379.428 1.138 20 0 GDADMM CC(C)c1ccc(C(=O)N2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)nc1 ZINC001574416485 948749705 /nfs/dbraw/zinc/74/97/05/948749705.db2.gz VFEBMRKUJIAPDM-UHFFFAOYSA-N -1 1 379.428 1.138 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCCCC1(F)F ZINC001574678367 948750332 /nfs/dbraw/zinc/75/03/32/948750332.db2.gz DRFFSFWHRLEBGR-WDEREUQCSA-N -1 1 380.403 1.789 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCCCC1(F)F ZINC001574678367 948750347 /nfs/dbraw/zinc/75/03/47/948750347.db2.gz DRFFSFWHRLEBGR-WDEREUQCSA-N -1 1 380.403 1.789 20 0 GDADMM CC(C)c1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)CC2)nc1 ZINC001574416518 948750667 /nfs/dbraw/zinc/75/06/67/948750667.db2.gz WLTYTKVEZVEMBA-UHFFFAOYSA-N -1 1 379.428 1.138 20 0 GDADMM CC(C)c1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)CC2)nc1 ZINC001574416518 948750672 /nfs/dbraw/zinc/75/06/72/948750672.db2.gz WLTYTKVEZVEMBA-UHFFFAOYSA-N -1 1 379.428 1.138 20 0 GDADMM CC(F)(F)C1(C(=O)NCC2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)CC1 ZINC001575221702 948750850 /nfs/dbraw/zinc/75/08/50/948750850.db2.gz BHIOPUMFDUTNEK-UHFFFAOYSA-N -1 1 392.414 1.425 20 0 GDADMM CC(F)(F)C1(C(=O)NCC2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)CC1 ZINC001575221702 948750862 /nfs/dbraw/zinc/75/08/62/948750862.db2.gz BHIOPUMFDUTNEK-UHFFFAOYSA-N -1 1 392.414 1.425 20 0 GDADMM C[C@H](CNC(=O)CCc1cccnc1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574914482 948752289 /nfs/dbraw/zinc/75/22/89/948752289.db2.gz KNXHPJGISIOTPL-SECBINFHSA-N -1 1 392.876 1.921 20 0 GDADMM C[C@H](CNC(=O)CCc1cccnc1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574914482 948752299 /nfs/dbraw/zinc/75/22/99/948752299.db2.gz KNXHPJGISIOTPL-SECBINFHSA-N -1 1 392.876 1.921 20 0 GDADMM C[C@H](CNC(=O)CCc1ccc(F)cc1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574914676 948755700 /nfs/dbraw/zinc/75/57/00/948755700.db2.gz MMOOUDPZTDFJQE-GFCCVEGCSA-N -1 1 384.419 1.370 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001575222280 948756679 /nfs/dbraw/zinc/75/66/79/948756679.db2.gz HSOWTHPCGHIYGS-MGCOHNPYSA-N -1 1 378.387 1.399 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575222280 948756686 /nfs/dbraw/zinc/75/66/86/948756686.db2.gz HSOWTHPCGHIYGS-MGCOHNPYSA-N -1 1 378.387 1.399 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)Cc1cc(C2CC2)no1 ZINC001574678985 948762053 /nfs/dbraw/zinc/76/20/53/948762053.db2.gz LIAHKOMQNDKRKR-SNVBAGLBSA-N -1 1 383.416 1.072 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)Cc1cc(C2CC2)no1 ZINC001574678985 948762061 /nfs/dbraw/zinc/76/20/61/948762061.db2.gz LIAHKOMQNDKRKR-SNVBAGLBSA-N -1 1 383.416 1.072 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1coc(C2CCC2)n1 ZINC001574679141 948767114 /nfs/dbraw/zinc/76/71/14/948767114.db2.gz OPYTXWGEEFMIDI-SNVBAGLBSA-N -1 1 383.416 1.533 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1coc(C2CCC2)n1 ZINC001574679141 948767128 /nfs/dbraw/zinc/76/71/28/948767128.db2.gz OPYTXWGEEFMIDI-SNVBAGLBSA-N -1 1 383.416 1.533 20 0 GDADMM CC(C)[C@H](F)C(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)C[C@H]1C ZINC001574079216 948767385 /nfs/dbraw/zinc/76/73/85/948767385.db2.gz CDJJDHAFTGITGY-MRTMQBJTSA-N -1 1 387.872 1.912 20 0 GDADMM CC(C)[C@H](F)C(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)C[C@H]1C ZINC001574079216 948767396 /nfs/dbraw/zinc/76/73/96/948767396.db2.gz CDJJDHAFTGITGY-MRTMQBJTSA-N -1 1 387.872 1.912 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)C(C)(C)[C@H]1CCCCO1 ZINC001574679251 948774453 /nfs/dbraw/zinc/77/44/53/948774453.db2.gz RDSFZNNOWRHPRB-TZMCWYRMSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)C(C)(C)[C@H]1CCCCO1 ZINC001574679251 948774474 /nfs/dbraw/zinc/77/44/74/948774474.db2.gz RDSFZNNOWRHPRB-TZMCWYRMSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)[C@@H](F)C(=O)N[C@@H]1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)C[C@H]1C ZINC001574079735 948777941 /nfs/dbraw/zinc/77/79/41/948777941.db2.gz GNKYRFLRSQZWCO-IWSPIJDZSA-N -1 1 387.872 1.912 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001575224325 948780788 /nfs/dbraw/zinc/78/07/88/948780788.db2.gz TXVFIIHVRPJULO-WDEREUQCSA-N -1 1 392.414 1.789 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001575224325 948780796 /nfs/dbraw/zinc/78/07/96/948780796.db2.gz TXVFIIHVRPJULO-WDEREUQCSA-N -1 1 392.414 1.789 20 0 GDADMM CC(F)(F)CC(=O)N[C@]12CCC[C@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001575224611 948789006 /nfs/dbraw/zinc/78/90/06/948789006.db2.gz PHPSZCATQYMTOZ-BZNIZROVSA-N -1 1 378.387 1.320 20 0 GDADMM CC(F)(F)CC(=O)N[C@]12CCC[C@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001575224611 948789023 /nfs/dbraw/zinc/78/90/23/948789023.db2.gz PHPSZCATQYMTOZ-BZNIZROVSA-N -1 1 378.387 1.320 20 0 GDADMM CC(F)(F)CC(=O)N[C@@]12CCC[C@@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001575224615 948789459 /nfs/dbraw/zinc/78/94/59/948789459.db2.gz PHPSZCATQYMTOZ-MEDUHNTESA-N -1 1 378.387 1.320 20 0 GDADMM CC(F)(F)CC(=O)N[C@@]12CCC[C@@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001575224615 948789476 /nfs/dbraw/zinc/78/94/76/948789476.db2.gz PHPSZCATQYMTOZ-MEDUHNTESA-N -1 1 378.387 1.320 20 0 GDADMM CC(C)c1ccccc1C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001574419713 948790733 /nfs/dbraw/zinc/79/07/33/948790733.db2.gz JNAPEYYWIORXSN-QLPKVWCKSA-N -1 1 390.451 1.645 20 0 GDADMM C[C@H](C(=O)Nc1ccc(F)c(Br)c1F)n1cnc(-c2nn[n-]n2)n1 ZINC001573756037 948792987 /nfs/dbraw/zinc/79/29/87/948792987.db2.gz LMMOGCYWDMRCIU-RXMQYKEDSA-N -1 1 399.159 1.699 20 0 GDADMM CC(F)(F)CC(=O)NC1(C2CCN(c3nccnc3-c3nnn[n-]3)CC2)CC1 ZINC001575225112 948798940 /nfs/dbraw/zinc/79/89/40/948798940.db2.gz WQSWTASWFIFLJA-UHFFFAOYSA-N -1 1 392.414 1.567 20 0 GDADMM CC(F)(F)CC(=O)NC1(C2CCN(c3nccnc3-c3nn[n-]n3)CC2)CC1 ZINC001575225112 948798955 /nfs/dbraw/zinc/79/89/55/948798955.db2.gz WQSWTASWFIFLJA-UHFFFAOYSA-N -1 1 392.414 1.567 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)CC(C)(C)C(F)(F)F ZINC001574680344 948805262 /nfs/dbraw/zinc/80/52/62/948805262.db2.gz GEDGVBPEXOBNHH-VIFPVBQESA-N -1 1 386.382 1.942 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)CC(C)(C)C(F)(F)F ZINC001574680344 948805283 /nfs/dbraw/zinc/80/52/83/948805283.db2.gz GEDGVBPEXOBNHH-VIFPVBQESA-N -1 1 386.382 1.942 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001575226230 948813194 /nfs/dbraw/zinc/81/31/94/948813194.db2.gz JMNUFHREZDMLCG-QGZVFWFLSA-N -1 1 392.414 1.521 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1c(F)cc(F)cc1F ZINC001574680953 948815683 /nfs/dbraw/zinc/81/56/83/948815683.db2.gz KPRYHRPMVJFCQH-QMMMGPOBSA-N -1 1 392.345 1.695 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1c(F)cc(F)cc1F ZINC001574680953 948815703 /nfs/dbraw/zinc/81/57/03/948815703.db2.gz KPRYHRPMVJFCQH-QMMMGPOBSA-N -1 1 392.345 1.695 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1nc(Cl)cs1 ZINC001574681716 948816828 /nfs/dbraw/zinc/81/68/28/948816828.db2.gz NFNYCJCUZKRWFP-SSDOTTSWSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1nc(Cl)cs1 ZINC001574681716 948816842 /nfs/dbraw/zinc/81/68/42/948816842.db2.gz NFNYCJCUZKRWFP-SSDOTTSWSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cccnc1C(F)F ZINC001574681715 948818355 /nfs/dbraw/zinc/81/83/55/948818355.db2.gz NDFLWOQQGTXXEH-VIFPVBQESA-N -1 1 389.370 1.610 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cccnc1C(F)F ZINC001574681715 948818374 /nfs/dbraw/zinc/81/83/74/948818374.db2.gz NDFLWOQQGTXXEH-VIFPVBQESA-N -1 1 389.370 1.610 20 0 GDADMM CC(C)c1ccoc1C(=O)NC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001574421688 948820268 /nfs/dbraw/zinc/82/02/68/948820268.db2.gz MXLDSEVYTFLYNT-CYBMUJFWSA-N -1 1 382.428 1.994 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cnn(C2CCC2)c1 ZINC001574681396 948820230 /nfs/dbraw/zinc/82/02/30/948820230.db2.gz MPNIDVIAJWYARY-LLVKDONJSA-N -1 1 382.432 1.199 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cnn(C2CCC2)c1 ZINC001574681396 948820246 /nfs/dbraw/zinc/82/02/46/948820246.db2.gz MPNIDVIAJWYARY-LLVKDONJSA-N -1 1 382.432 1.199 20 0 GDADMM CC(C)c1ccoc1C(=O)NC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001574421688 948820287 /nfs/dbraw/zinc/82/02/87/948820287.db2.gz MXLDSEVYTFLYNT-CYBMUJFWSA-N -1 1 382.428 1.994 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cccc2c1CCC2 ZINC001574681868 948823077 /nfs/dbraw/zinc/82/30/77/948823077.db2.gz OLKBRKOCVHUGKP-LBPRGKRZSA-N -1 1 378.440 1.766 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cccc2c1CCC2 ZINC001574681868 948823094 /nfs/dbraw/zinc/82/30/94/948823094.db2.gz OLKBRKOCVHUGKP-LBPRGKRZSA-N -1 1 378.440 1.766 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@]2(C1)CCCN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001575226585 948823509 /nfs/dbraw/zinc/82/35/09/948823509.db2.gz NRFFRTWXQRZLEH-QGZVFWFLSA-N -1 1 392.414 1.521 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@]2(C1)CCCN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001575226585 948823526 /nfs/dbraw/zinc/82/35/26/948823526.db2.gz NRFFRTWXQRZLEH-QGZVFWFLSA-N -1 1 392.414 1.521 20 0 GDADMM C[C@@H](CNC(=O)CCCc1ccsc1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574917762 948824546 /nfs/dbraw/zinc/82/45/46/948824546.db2.gz AUQCUCBUHXGJHB-GFCCVEGCSA-N -1 1 386.485 1.905 20 0 GDADMM C[C@@H](CNC(=O)CCCc1ccsc1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574917762 948824559 /nfs/dbraw/zinc/82/45/59/948824559.db2.gz AUQCUCBUHXGJHB-GFCCVEGCSA-N -1 1 386.485 1.905 20 0 GDADMM CC(C)c1ccoc1C(=O)N1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574421958 948825619 /nfs/dbraw/zinc/82/56/19/948825619.db2.gz SAWQIOBUAYDCNA-GFCCVEGCSA-N -1 1 382.428 1.947 20 0 GDADMM CC(C)c1ccoc1C(=O)N1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574421958 948825641 /nfs/dbraw/zinc/82/56/41/948825641.db2.gz SAWQIOBUAYDCNA-GFCCVEGCSA-N -1 1 382.428 1.947 20 0 GDADMM CC(C)c1ccccc1NC(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001574422263 948832844 /nfs/dbraw/zinc/83/28/44/948832844.db2.gz YBESOPCFXNYKKZ-UHFFFAOYSA-N -1 1 384.400 1.074 20 0 GDADMM CC(C)c1ccoc1C(=O)N1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001574422372 948833901 /nfs/dbraw/zinc/83/39/01/948833901.db2.gz ZQFBOWYZHSDAAJ-FZMZJTMJSA-N -1 1 382.428 1.946 20 0 GDADMM CC(C)c1ccoc1C(=O)N1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001574422372 948833917 /nfs/dbraw/zinc/83/39/17/948833917.db2.gz ZQFBOWYZHSDAAJ-FZMZJTMJSA-N -1 1 382.428 1.946 20 0 GDADMM CC(C)[C@@H](F)C(=O)NCC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001574081502 948834370 /nfs/dbraw/zinc/83/43/70/948834370.db2.gz TXXZUVWKTXCWDM-JHJVBQTASA-N -1 1 376.440 1.229 20 0 GDADMM CC(C)[C@@H](F)C(=O)NCC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001574081502 948834384 /nfs/dbraw/zinc/83/43/84/948834384.db2.gz TXXZUVWKTXCWDM-JHJVBQTASA-N -1 1 376.440 1.229 20 0 GDADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)c1ccn(C)n1 ZINC001574684081 948855210 /nfs/dbraw/zinc/85/52/10/948855210.db2.gz BFTNALIOLCHJES-ZETCQYMHSA-N -1 1 381.853 1.331 20 0 GDADMM CC(C)(C(=O)N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001573763099 948862121 /nfs/dbraw/zinc/86/21/21/948862121.db2.gz ASAXAFDTFVYGBL-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)(C(=O)N1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001573763099 948862138 /nfs/dbraw/zinc/86/21/38/948862138.db2.gz ASAXAFDTFVYGBL-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)(C(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)C(F)F ZINC001573763123 948862888 /nfs/dbraw/zinc/86/28/88/948862888.db2.gz BKMWSUGXTVHQAV-SNVBAGLBSA-N -1 1 380.403 1.163 20 0 GDADMM CC(C)(C(=O)N1CC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1)C(F)F ZINC001573763088 948864341 /nfs/dbraw/zinc/86/43/41/948864341.db2.gz AKWGUHZPTOPMJX-QGZVFWFLSA-N -1 1 392.414 1.377 20 0 GDADMM CC(C)(C(=O)N1CC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1)C(F)F ZINC001573763088 948864360 /nfs/dbraw/zinc/86/43/60/948864360.db2.gz AKWGUHZPTOPMJX-QGZVFWFLSA-N -1 1 392.414 1.377 20 0 GDADMM CC(C)c1nc(C(=O)N(C)[C@@H](C)CNc2nccnc2-c2nnn[n-]2)cs1 ZINC001574424942 948866661 /nfs/dbraw/zinc/86/66/61/948866661.db2.gz XWOXAEWJYHZYJF-JTQLQIEISA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)c1nc(C(=O)N(C)[C@@H](C)CNc2nccnc2-c2nn[n-]n2)cs1 ZINC001574424942 948866674 /nfs/dbraw/zinc/86/66/74/948866674.db2.gz XWOXAEWJYHZYJF-JTQLQIEISA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)(C(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1)C(F)F ZINC001573763421 948869416 /nfs/dbraw/zinc/86/94/16/948869416.db2.gz DZOWKNXJNPVDTI-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)(C(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1)C(F)F ZINC001573763421 948869430 /nfs/dbraw/zinc/86/94/30/948869430.db2.gz DZOWKNXJNPVDTI-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001574684687 948880665 /nfs/dbraw/zinc/88/06/65/948880665.db2.gz KSMCVPSQQMAEKH-RBXMUDONSA-N -1 1 383.865 1.176 20 0 GDADMM CC(F)(F)CC(=O)NC[C@H]1CCCCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575233207 948882389 /nfs/dbraw/zinc/88/23/89/948882389.db2.gz HYIWETPKQMCWTM-LLVKDONJSA-N -1 1 380.403 1.567 20 0 GDADMM CC(F)(F)CC(=O)NC[C@H]1CCCCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575233207 948882399 /nfs/dbraw/zinc/88/23/99/948882399.db2.gz HYIWETPKQMCWTM-LLVKDONJSA-N -1 1 380.403 1.567 20 0 GDADMM CC(C)(C(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)nn1)C(F)F ZINC001573764286 948884090 /nfs/dbraw/zinc/88/40/90/948884090.db2.gz LNGBYIITLSANQK-RYUDHWBXSA-N -1 1 392.414 1.518 20 0 GDADMM CC(C)(C(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)nn1)C(F)F ZINC001573764286 948884105 /nfs/dbraw/zinc/88/41/05/948884105.db2.gz LNGBYIITLSANQK-RYUDHWBXSA-N -1 1 392.414 1.518 20 0 GDADMM CC(C)(C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)nn1)C(F)F ZINC001573764284 948884502 /nfs/dbraw/zinc/88/45/02/948884502.db2.gz LNGBYIITLSANQK-NEPJUHHUSA-N -1 1 392.414 1.518 20 0 GDADMM CC(C)(C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)nn1)C(F)F ZINC001573764284 948884522 /nfs/dbraw/zinc/88/45/22/948884522.db2.gz LNGBYIITLSANQK-NEPJUHHUSA-N -1 1 392.414 1.518 20 0 GDADMM CC(C)(C(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)nn1)C(F)F ZINC001573764287 948886889 /nfs/dbraw/zinc/88/68/89/948886889.db2.gz LNGBYIITLSANQK-VXGBXAGGSA-N -1 1 392.414 1.518 20 0 GDADMM CC(C)(C(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)nn1)C(F)F ZINC001573764287 948886909 /nfs/dbraw/zinc/88/69/09/948886909.db2.gz LNGBYIITLSANQK-VXGBXAGGSA-N -1 1 392.414 1.518 20 0 GDADMM CC(C)(C(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccnc(-c2nn[n-]n2)n1)C(F)F ZINC001573764947 948894723 /nfs/dbraw/zinc/89/47/23/948894723.db2.gz SCTNXWMYSJKSRJ-QWRGUYRKSA-N -1 1 392.414 1.518 20 0 GDADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)N(C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574083824 948895989 /nfs/dbraw/zinc/89/59/89/948895989.db2.gz YQGPOXXNUDSZAI-AUUYWEPGSA-N -1 1 384.488 1.766 20 0 GDADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)N(C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574083824 948896011 /nfs/dbraw/zinc/89/60/11/948896011.db2.gz YQGPOXXNUDSZAI-AUUYWEPGSA-N -1 1 384.488 1.766 20 0 GDADMM CC(C)c1ncc(C(=O)N(C)[C@H](C)CNc2cncc(-c3nnn[n-]3)n2)s1 ZINC001574427303 948902406 /nfs/dbraw/zinc/90/24/06/948902406.db2.gz CAWLQIXQWOJIKL-SNVBAGLBSA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)c1ncc(C(=O)N(C)[C@H](C)CNc2cncc(-c3nn[n-]n3)n2)s1 ZINC001574427303 948902429 /nfs/dbraw/zinc/90/24/29/948902429.db2.gz CAWLQIXQWOJIKL-SNVBAGLBSA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)N1CCC(CCNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574088281 948916404 /nfs/dbraw/zinc/91/64/04/948916404.db2.gz AHUORHFTIXRFCG-HUUCEWRRSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)N1CCC(CCNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574088281 948916419 /nfs/dbraw/zinc/91/64/19/948916419.db2.gz AHUORHFTIXRFCG-HUUCEWRRSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CCC(C)(F)F ZINC001575235488 948919747 /nfs/dbraw/zinc/91/97/47/948919747.db2.gz MQPLLUHFSODEHH-JTQLQIEISA-N -1 1 382.419 1.457 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@@](C)(CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575235888 948932361 /nfs/dbraw/zinc/93/23/61/948932361.db2.gz SHOUXCFRFRGGLW-HNNXBMFYSA-N -1 1 380.403 1.743 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@@](C)(CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575235888 948932372 /nfs/dbraw/zinc/93/23/72/948932372.db2.gz SHOUXCFRFRGGLW-HNNXBMFYSA-N -1 1 380.403 1.743 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC001575236244 948937103 /nfs/dbraw/zinc/93/71/03/948937103.db2.gz YPSTWZGMZBFBLC-OLZOCXBDSA-N -1 1 392.414 1.662 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC001575236244 948937111 /nfs/dbraw/zinc/93/71/11/948937111.db2.gz YPSTWZGMZBFBLC-OLZOCXBDSA-N -1 1 392.414 1.662 20 0 GDADMM CC(C)[C@@]1(C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001574088881 948937301 /nfs/dbraw/zinc/93/73/01/948937301.db2.gz GUEAOBNRYYGDAA-SSHHRWTQSA-N -1 1 382.472 1.519 20 0 GDADMM CC(C)[C@@]1(C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001574088881 948937320 /nfs/dbraw/zinc/93/73/20/948937320.db2.gz GUEAOBNRYYGDAA-SSHHRWTQSA-N -1 1 382.472 1.519 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC001575236249 948938583 /nfs/dbraw/zinc/93/85/83/948938583.db2.gz YPSTWZGMZBFBLC-STQMWFEESA-N -1 1 392.414 1.662 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC001575236249 948938595 /nfs/dbraw/zinc/93/85/95/948938595.db2.gz YPSTWZGMZBFBLC-STQMWFEESA-N -1 1 392.414 1.662 20 0 GDADMM CC(F)(F)CCC(=O)NC1CC2(C1)CC(Nc1cncc(-c3nnn[n-]3)n1)C2 ZINC001575236886 948941160 /nfs/dbraw/zinc/94/11/60/948941160.db2.gz AXPPWBVZYQOJHJ-UHFFFAOYSA-N -1 1 392.414 1.931 20 0 GDADMM CC(F)(F)CCC(=O)NC1CC2(C1)CC(Nc1cncc(-c3nn[n-]n3)n1)C2 ZINC001575236886 948941166 /nfs/dbraw/zinc/94/11/66/948941166.db2.gz AXPPWBVZYQOJHJ-UHFFFAOYSA-N -1 1 392.414 1.931 20 0 GDADMM CC(C)(C(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CCCC1)C1CC1 ZINC001573771446 948942798 /nfs/dbraw/zinc/94/27/98/948942798.db2.gz HRHOFRUADFYTPJ-CQSZACIVSA-N -1 1 384.488 1.602 20 0 GDADMM CC(C)(C(=O)N[C@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573771858 948947022 /nfs/dbraw/zinc/94/70/22/948947022.db2.gz MPVAZUOVQVLPRN-JSGCOSHPSA-N -1 1 384.488 1.602 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2 ZINC001575237988 948950994 /nfs/dbraw/zinc/95/09/94/948950994.db2.gz KJTOCUKTRPHGKW-GHMZBOCLSA-N -1 1 392.414 1.353 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nn1)CC2)C1CC1 ZINC001573772115 948952176 /nfs/dbraw/zinc/95/21/76/948952176.db2.gz QZVBLQQOVNUNDG-CQSZACIVSA-N -1 1 382.472 1.568 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nn1)CC2)C1CC1 ZINC001573772115 948952189 /nfs/dbraw/zinc/95/21/89/948952189.db2.gz QZVBLQQOVNUNDG-CQSZACIVSA-N -1 1 382.472 1.568 20 0 GDADMM CC(C)(C(=O)N[C@H]1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)C(F)F ZINC001573772282 948954910 /nfs/dbraw/zinc/95/49/10/948954910.db2.gz SFQWKZGALHPUFQ-ZJUUUORDSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C(=O)N[C@H]1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)C(F)F ZINC001573772282 948954926 /nfs/dbraw/zinc/95/49/26/948954926.db2.gz SFQWKZGALHPUFQ-ZJUUUORDSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)C(F)F ZINC001573772281 948955081 /nfs/dbraw/zinc/95/50/81/948955081.db2.gz SFQWKZGALHPUFQ-VHSXEESVSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)C(F)F ZINC001573772281 948955090 /nfs/dbraw/zinc/95/50/90/948955090.db2.gz SFQWKZGALHPUFQ-VHSXEESVSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C(=O)N[C@@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2)C1CC1 ZINC001573772537 948960993 /nfs/dbraw/zinc/96/09/93/948960993.db2.gz ULHGOFCEJCPDHX-QWHCGFSZSA-N -1 1 382.472 1.354 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C12CCC2)C1CC1 ZINC001573772554 948962197 /nfs/dbraw/zinc/96/21/97/948962197.db2.gz UUTFXQDUJJRTCQ-KBPBESRZSA-N -1 1 382.472 1.932 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C12CCC2)C1CC1 ZINC001573772554 948962213 /nfs/dbraw/zinc/96/22/13/948962213.db2.gz UUTFXQDUJJRTCQ-KBPBESRZSA-N -1 1 382.472 1.932 20 0 GDADMM CC(C)c1ncsc1C(=O)NC[C@H](C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574433828 948967281 /nfs/dbraw/zinc/96/72/81/948967281.db2.gz RSAZCBYTHSSXKK-JTQLQIEISA-N -1 1 387.473 1.491 20 0 GDADMM CC(C)c1ncsc1C(=O)NC[C@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574433828 948967291 /nfs/dbraw/zinc/96/72/91/948967291.db2.gz RSAZCBYTHSSXKK-JTQLQIEISA-N -1 1 387.473 1.491 20 0 GDADMM CC(C)(C(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)C1CCCC1 ZINC001573772917 948970448 /nfs/dbraw/zinc/97/04/48/948970448.db2.gz YKIGKXLJVBBKQP-AWEZNQCLSA-N -1 1 384.488 1.602 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@H](C)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574434182 948977104 /nfs/dbraw/zinc/97/71/04/948977104.db2.gz YWFJHGMOZPONTB-NXEZZACHSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@H](C)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574434182 948977121 /nfs/dbraw/zinc/97/71/21/948977121.db2.gz YWFJHGMOZPONTB-NXEZZACHSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC001574441751 949071643 /nfs/dbraw/zinc/07/16/43/949071643.db2.gz VWJUOJQUXIHVKR-PWSUYJOCSA-N -1 1 383.416 1.165 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C ZINC001574441751 949071660 /nfs/dbraw/zinc/07/16/60/949071660.db2.gz VWJUOJQUXIHVKR-PWSUYJOCSA-N -1 1 383.416 1.165 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)C1CCC1 ZINC001573779824 949073626 /nfs/dbraw/zinc/07/36/26/949073626.db2.gz NGVYBGCEXYMDEW-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573779824 949073646 /nfs/dbraw/zinc/07/36/46/949073646.db2.gz NGVYBGCEXYMDEW-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](CNC(=O)COCC(F)F)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574929249 949088934 /nfs/dbraw/zinc/08/89/34/949088934.db2.gz BMONFAVQRPJLRW-RXMQYKEDSA-N -1 1 381.796 1.175 20 0 GDADMM C[C@H](CNC(=O)COCC(F)F)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574929249 949088955 /nfs/dbraw/zinc/08/89/55/949088955.db2.gz BMONFAVQRPJLRW-RXMQYKEDSA-N -1 1 381.796 1.175 20 0 GDADMM CC(C)(C(=O)NCC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)C1CCC1 ZINC001573781123 949098603 /nfs/dbraw/zinc/09/86/03/949098603.db2.gz CJEJABBJBOMIEH-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C(=O)NCC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)C1CCC1 ZINC001573781123 949098618 /nfs/dbraw/zinc/09/86/18/949098618.db2.gz CJEJABBJBOMIEH-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C(=O)NCC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(F)F ZINC001573781628 949112168 /nfs/dbraw/zinc/11/21/68/949112168.db2.gz LENSLESXESRVGF-JTQLQIEISA-N -1 1 380.403 1.281 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)NCC1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574094207 949133977 /nfs/dbraw/zinc/13/39/77/949133977.db2.gz XWXUVNVGICXJKC-ZIAGYGMSSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)NCC1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574094207 949133995 /nfs/dbraw/zinc/13/39/95/949133995.db2.gz XWXUVNVGICXJKC-ZIAGYGMSSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)c1occc1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001574446631 949138468 /nfs/dbraw/zinc/13/84/68/949138468.db2.gz UIHCWFQAFUDNDD-YPMHNXCESA-N -1 1 382.428 1.770 20 0 GDADMM CC(C)c1occc1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001574446631 949138482 /nfs/dbraw/zinc/13/84/82/949138482.db2.gz UIHCWFQAFUDNDD-YPMHNXCESA-N -1 1 382.428 1.770 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nnn[n-]1)C(F)F ZINC001573782943 949138551 /nfs/dbraw/zinc/13/85/51/949138551.db2.gz ODXMASLWYQUINR-NXEZZACHSA-N -1 1 380.403 1.787 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nn[n-]n1)C(F)F ZINC001573782943 949138562 /nfs/dbraw/zinc/13/85/62/949138562.db2.gz ODXMASLWYQUINR-NXEZZACHSA-N -1 1 380.403 1.787 20 0 GDADMM CC(C)c1ocnc1C(=O)N(C)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574446830 949140769 /nfs/dbraw/zinc/14/07/69/949140769.db2.gz XVZVMTMUJBXGKJ-LLVKDONJSA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1ocnc1C(=O)N(C)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574446830 949140777 /nfs/dbraw/zinc/14/07/77/949140777.db2.gz XVZVMTMUJBXGKJ-LLVKDONJSA-N -1 1 383.416 1.119 20 0 GDADMM C[C@H](NC(=O)C(C)(C)c1ccccc1)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575251466 949141573 /nfs/dbraw/zinc/14/15/73/949141573.db2.gz NMAQBNLYAATFGZ-STQMWFEESA-N -1 1 380.456 1.362 20 0 GDADMM CC(C)[C@@H]1C[C@H](CC(=O)N(C)CCNc2nccnc2-c2nnn[n-]2)CCO1 ZINC001574094916 949144346 /nfs/dbraw/zinc/14/43/46/949144346.db2.gz WWBKWQVGRCCVNC-KGLIPLIRSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)[C@@H]1C[C@H](CC(=O)N(C)CCNc2nccnc2-c2nn[n-]n2)CCO1 ZINC001574094916 949144356 /nfs/dbraw/zinc/14/43/56/949144356.db2.gz WWBKWQVGRCCVNC-KGLIPLIRSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@H](CNC(=O)COc1ccccc1F)CNc1nccnc1-c1nnn[n-]1 ZINC001574934328 949154214 /nfs/dbraw/zinc/15/42/14/949154214.db2.gz FELKLLFGOFNPED-LLVKDONJSA-N -1 1 386.391 1.039 20 0 GDADMM C[C@H](CNC(=O)COc1ccccc1F)CNc1nccnc1-c1nn[n-]n1 ZINC001574934328 949154225 /nfs/dbraw/zinc/15/42/25/949154225.db2.gz FELKLLFGOFNPED-LLVKDONJSA-N -1 1 386.391 1.039 20 0 GDADMM C[C@@H](CNC(=O)COc1ccccc1Cl)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574934344 949155642 /nfs/dbraw/zinc/15/56/42/949155642.db2.gz FSBJHUJHTRMVGY-JTQLQIEISA-N -1 1 388.819 1.306 20 0 GDADMM C[C@@H](CNC(=O)COc1ccccc1Cl)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574934344 949155652 /nfs/dbraw/zinc/15/56/52/949155652.db2.gz FSBJHUJHTRMVGY-JTQLQIEISA-N -1 1 388.819 1.306 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)NC1(CNc2nccnc2-c2nnn[n-]2)CCOCC1 ZINC001574095941 949156558 /nfs/dbraw/zinc/15/65/58/949156558.db2.gz ZTCJNHBAIMHJFB-QWHCGFSZSA-N -1 1 386.460 1.026 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)NC1(CNc2nccnc2-c2nn[n-]n2)CCOCC1 ZINC001574095941 949156576 /nfs/dbraw/zinc/15/65/76/949156576.db2.gz ZTCJNHBAIMHJFB-QWHCGFSZSA-N -1 1 386.460 1.026 20 0 GDADMM C[C@H](NC(=O)C1(CF)CCC1)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575252295 949159783 /nfs/dbraw/zinc/15/97/83/949159783.db2.gz FDTLJGPIUNFXSK-STQMWFEESA-N -1 1 388.451 1.518 20 0 GDADMM C[C@H](NC(=O)C1(CF)CCC1)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575252295 949159797 /nfs/dbraw/zinc/15/97/97/949159797.db2.gz FDTLJGPIUNFXSK-STQMWFEESA-N -1 1 388.451 1.518 20 0 GDADMM CC(C)c1ocnc1C(=O)NCCN(c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001574447598 949165735 /nfs/dbraw/zinc/16/57/35/949165735.db2.gz UGYDFYLBWZGAFU-UHFFFAOYSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1ocnc1C(=O)NCCN(c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001574447598 949165743 /nfs/dbraw/zinc/16/57/43/949165743.db2.gz UGYDFYLBWZGAFU-UHFFFAOYSA-N -1 1 383.416 1.167 20 0 GDADMM C[C@@H](NC(=O)C1(C(F)F)CCCC1)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575252496 949168119 /nfs/dbraw/zinc/16/81/19/949168119.db2.gz QJGMKQZTZJVRKX-NXEZZACHSA-N -1 1 380.403 1.209 20 0 GDADMM CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1)C(F)F ZINC001573787390 949177592 /nfs/dbraw/zinc/17/75/92/949177592.db2.gz WMKUHWRLNGTLNI-KKZNHRDASA-N -1 1 378.387 1.174 20 0 GDADMM CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1)C(F)F ZINC001573787390 949177603 /nfs/dbraw/zinc/17/76/03/949177603.db2.gz WMKUHWRLNGTLNI-KKZNHRDASA-N -1 1 378.387 1.174 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cccnc1 ZINC001573787578 949181484 /nfs/dbraw/zinc/18/14/84/949181484.db2.gz XOINKJSTKPLTBM-BETUJISGSA-N -1 1 379.428 1.089 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573787578 949181495 /nfs/dbraw/zinc/18/14/95/949181495.db2.gz XOINKJSTKPLTBM-BETUJISGSA-N -1 1 379.428 1.089 20 0 GDADMM C[C@@H](NC(=O)C1(C)CCCC1)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575253702 949192649 /nfs/dbraw/zinc/19/26/49/949192649.db2.gz LGPPSRLDXRTVRG-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](NC(=O)C1(C)CCCC1)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575253702 949192640 /nfs/dbraw/zinc/19/26/40/949192640.db2.gz LGPPSRLDXRTVRG-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H](C)c1ccccc1F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574698489 949194033 /nfs/dbraw/zinc/19/40/33/949194033.db2.gz LNWGKKVJGNSJRB-NEPJUHHUSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H](C)c1ccccc1F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574698489 949194041 /nfs/dbraw/zinc/19/40/41/949194041.db2.gz LNWGKKVJGNSJRB-NEPJUHHUSA-N -1 1 384.419 1.858 20 0 GDADMM CC(C)c1oncc1C(=O)N1C[C@@H](C)[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574449373 949194601 /nfs/dbraw/zinc/19/46/01/949194601.db2.gz QBKTYCOLIPMLBS-MFKMUULPSA-N -1 1 383.416 1.341 20 0 GDADMM CC(C)c1oncc1C(=O)N1C[C@@H](C)[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574449373 949194619 /nfs/dbraw/zinc/19/46/19/949194619.db2.gz QBKTYCOLIPMLBS-MFKMUULPSA-N -1 1 383.416 1.341 20 0 GDADMM C[C@@H](CNC(=O)Cc1cc(F)ccc1F)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574935759 949206002 /nfs/dbraw/zinc/20/60/02/949206002.db2.gz GAZIZSAXPJLGJY-SNVBAGLBSA-N -1 1 388.382 1.342 20 0 GDADMM C[C@@H](CNC(=O)Cc1cc(F)ccc1F)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574935759 949206016 /nfs/dbraw/zinc/20/60/16/949206016.db2.gz GAZIZSAXPJLGJY-SNVBAGLBSA-N -1 1 388.382 1.342 20 0 GDADMM CC(C)c1oncc1C(=O)N(C)C1CC(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574450269 949207806 /nfs/dbraw/zinc/20/78/06/949207806.db2.gz YDNITXRXZKJVKA-UHFFFAOYSA-N -1 1 383.416 1.483 20 0 GDADMM CC(C)c1oncc1C(=O)N(C)C1CC(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574450269 949207830 /nfs/dbraw/zinc/20/78/30/949207830.db2.gz YDNITXRXZKJVKA-UHFFFAOYSA-N -1 1 383.416 1.483 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(F)c(Cl)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574936086 949208554 /nfs/dbraw/zinc/20/85/54/949208554.db2.gz HCCJIAVZHZVVRU-VIFPVBQESA-N -1 1 390.810 1.609 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(F)c(Cl)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574936086 949208568 /nfs/dbraw/zinc/20/85/68/949208568.db2.gz HCCJIAVZHZVVRU-VIFPVBQESA-N -1 1 390.810 1.609 20 0 GDADMM O=C([O-])c1ccc(C(=O)N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)cn1 ZINC001595215338 949214606 /nfs/dbraw/zinc/21/46/06/949214606.db2.gz YUOCPCRBCOBNDO-RBUKOAKNSA-N -1 1 381.432 1.895 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(F)cc1Cl)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574936262 949216070 /nfs/dbraw/zinc/21/60/70/949216070.db2.gz JBLQGXXVDAISDQ-VIFPVBQESA-N -1 1 390.810 1.609 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(F)cc1Cl)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574936262 949216092 /nfs/dbraw/zinc/21/60/92/949216092.db2.gz JBLQGXXVDAISDQ-VIFPVBQESA-N -1 1 390.810 1.609 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@@H](C)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574451240 949221618 /nfs/dbraw/zinc/22/16/18/949221618.db2.gz HZHUYVKYAAIUJN-UWVGGRQHSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@@H](C)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574451240 949221642 /nfs/dbraw/zinc/22/16/42/949221642.db2.gz HZHUYVKYAAIUJN-UWVGGRQHSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574451289 949228511 /nfs/dbraw/zinc/22/85/11/949228511.db2.gz KYBOWZXRXNJYFX-NSHDSACASA-N -1 1 383.416 1.024 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574451289 949228531 /nfs/dbraw/zinc/22/85/31/949228531.db2.gz KYBOWZXRXNJYFX-NSHDSACASA-N -1 1 383.416 1.024 20 0 GDADMM C[C@H](CNC(=O)Cc1cc(F)ccc1F)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574937741 949228729 /nfs/dbraw/zinc/22/87/29/949228729.db2.gz QEUGZPZPNSEJKO-SNVBAGLBSA-N -1 1 388.382 1.119 20 0 GDADMM C[C@H](CNC(=O)Cc1cc(F)ccc1F)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574937741 949228755 /nfs/dbraw/zinc/22/87/55/949228755.db2.gz QEUGZPZPNSEJKO-SNVBAGLBSA-N -1 1 388.382 1.119 20 0 GDADMM C[C@@H]1CCC[C@@]1(C)C(=O)NCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576151946 949236177 /nfs/dbraw/zinc/23/61/77/949236177.db2.gz GWPQLRNNFCOTIA-BFUOFWGJSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H]1CCC[C@@]1(C)C(=O)NCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576151946 949236204 /nfs/dbraw/zinc/23/62/04/949236204.db2.gz GWPQLRNNFCOTIA-BFUOFWGJSA-N -1 1 384.488 1.816 20 0 GDADMM CC[C@@]1(C(=O)[O-])CCCN(CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC001589605222 949241553 /nfs/dbraw/zinc/24/15/53/949241553.db2.gz NMSYFTOOMBBZKQ-GOSISDBHSA-N -1 1 397.497 1.452 20 0 GDADMM C[C@@H](CNC(=O)Cc1c(F)cccc1F)CNc1nccnc1-c1nnn[n-]1 ZINC001574938436 949241828 /nfs/dbraw/zinc/24/18/28/949241828.db2.gz VZQCOKYPSOWABI-JTQLQIEISA-N -1 1 388.382 1.342 20 0 GDADMM C[C@@H](CNC(=O)Cc1c(F)cccc1F)CNc1nccnc1-c1nn[n-]n1 ZINC001574938436 949241848 /nfs/dbraw/zinc/24/18/48/949241848.db2.gz VZQCOKYPSOWABI-JTQLQIEISA-N -1 1 388.382 1.342 20 0 GDADMM CC(C)CC(=O)N1CC2(C[C@H]1C)CCN(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001574103434 949245009 /nfs/dbraw/zinc/24/50/09/949245009.db2.gz SHIWYWVNQOKVHQ-CQSZACIVSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CC(=O)N1CC2(C[C@H]1C)CCN(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001574103434 949245030 /nfs/dbraw/zinc/24/50/30/949245030.db2.gz SHIWYWVNQOKVHQ-CQSZACIVSA-N -1 1 384.488 1.910 20 0 GDADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)[C@@H]2CCC2(F)F)CC1 ZINC001575856600 949249534 /nfs/dbraw/zinc/24/95/34/949249534.db2.gz IBRMPTAKWCVFCZ-JTQLQIEISA-N -1 1 378.387 1.495 20 0 GDADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)[C@@H]2CCC2(F)F)CC1 ZINC001575856600 949249557 /nfs/dbraw/zinc/24/95/57/949249557.db2.gz IBRMPTAKWCVFCZ-JTQLQIEISA-N -1 1 378.387 1.495 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574451972 949253959 /nfs/dbraw/zinc/25/39/59/949253959.db2.gz CPRXZTUFEQPBFG-AOOOYVTPSA-N -1 1 385.457 1.610 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574451972 949253981 /nfs/dbraw/zinc/25/39/81/949253981.db2.gz CPRXZTUFEQPBFG-AOOOYVTPSA-N -1 1 385.457 1.610 20 0 GDADMM C[C@@H](NC(=O)C1(CF)CCC1)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575257260 949266666 /nfs/dbraw/zinc/26/66/66/949266666.db2.gz YZPCORRJZXNGKF-OLZOCXBDSA-N -1 1 388.451 1.518 20 0 GDADMM C[C@@H](NC(=O)C1(CF)CCC1)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575257260 949266692 /nfs/dbraw/zinc/26/66/92/949266692.db2.gz YZPCORRJZXNGKF-OLZOCXBDSA-N -1 1 388.451 1.518 20 0 GDADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)C[C@@H]2CCCOC2)CC1 ZINC001575857717 949272591 /nfs/dbraw/zinc/27/25/91/949272591.db2.gz UFSGBEQZOBNKFW-ZDUSSCGKSA-N -1 1 386.460 1.266 20 0 GDADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)C[C@@H]2CCCOC2)CC1 ZINC001575857717 949272610 /nfs/dbraw/zinc/27/26/10/949272610.db2.gz UFSGBEQZOBNKFW-ZDUSSCGKSA-N -1 1 386.460 1.266 20 0 GDADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)[C@H]2C[C@@H]2C(F)F)CC1 ZINC001575857805 949275742 /nfs/dbraw/zinc/27/57/42/949275742.db2.gz WBMOXAZQOSBLPC-UWVGGRQHSA-N -1 1 378.387 1.351 20 0 GDADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)[C@H]2C[C@@H]2C(F)F)CC1 ZINC001575857805 949275749 /nfs/dbraw/zinc/27/57/49/949275749.db2.gz WBMOXAZQOSBLPC-UWVGGRQHSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc[nH]1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001574940912 949282141 /nfs/dbraw/zinc/28/21/41/949282141.db2.gz MHEGBZHTXRIABV-MRVPVSSYSA-N -1 1 380.865 1.488 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc[nH]1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001574940912 949282162 /nfs/dbraw/zinc/28/21/62/949282162.db2.gz MHEGBZHTXRIABV-MRVPVSSYSA-N -1 1 380.865 1.488 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(C2CC2)c1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574940923 949283670 /nfs/dbraw/zinc/28/36/70/949283670.db2.gz MNJIFDIZOFNVST-CYBMUJFWSA-N -1 1 392.467 1.363 20 0 GDADMM C[C@H](CNC(=O)Cc1cccnc1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574940986 949284844 /nfs/dbraw/zinc/28/48/44/949284844.db2.gz NPXLMQUAVCEJBF-SECBINFHSA-N -1 1 392.876 1.555 20 0 GDADMM CC1=C(C)C[C@H](C(=O)N(CCO)CCNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575860030 949285529 /nfs/dbraw/zinc/28/55/29/949285529.db2.gz BGLMOQFUUURQAN-CQSZACIVSA-N -1 1 386.460 1.026 20 0 GDADMM CC1=C(C)C[C@H](C(=O)N(CCO)CCNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575860030 949285546 /nfs/dbraw/zinc/28/55/46/949285546.db2.gz BGLMOQFUUURQAN-CQSZACIVSA-N -1 1 386.460 1.026 20 0 GDADMM CC1(C(=O)N(CCO)CCNc2nc(-c3nn[n-]n3)c(Cl)s2)CCC1 ZINC001575523543 949295156 /nfs/dbraw/zinc/29/51/56/949295156.db2.gz CCFGZHAZVOAFBY-UHFFFAOYSA-N -1 1 385.881 1.400 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccon1 ZINC001576153688 949297216 /nfs/dbraw/zinc/29/72/16/949297216.db2.gz ABQAYZUNUVEAFE-APPDUMDISA-N -1 1 383.416 1.436 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccon1 ZINC001576153688 949297233 /nfs/dbraw/zinc/29/72/33/949297233.db2.gz ABQAYZUNUVEAFE-APPDUMDISA-N -1 1 383.416 1.436 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc2c(c1)CCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574941430 949308217 /nfs/dbraw/zinc/30/82/17/949308217.db2.gz QKSCPCUDDALZPZ-LBPRGKRZSA-N -1 1 378.440 1.305 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc2c(c1)CCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574941430 949308237 /nfs/dbraw/zinc/30/82/37/949308237.db2.gz QKSCPCUDDALZPZ-LBPRGKRZSA-N -1 1 378.440 1.305 20 0 GDADMM CC(C)CC(=O)N1CCCC[C@@H]1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001574109282 949316574 /nfs/dbraw/zinc/31/65/74/949316574.db2.gz WREIWSFKEOOXRX-CYBMUJFWSA-N -1 1 376.486 1.972 20 0 GDADMM CC1=C(C)C[C@](C)(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575860989 949318609 /nfs/dbraw/zinc/31/86/09/949318609.db2.gz PCXSENSHCCSMFA-IFXJQAMLSA-N -1 1 382.472 1.878 20 0 GDADMM C[C@H]1CCC[C@H]1CC(=O)NC1(C)CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001576154560 949348535 /nfs/dbraw/zinc/34/85/35/949348535.db2.gz DWTVCJNIQJQVMR-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCC[C@H]1CC(=O)NC1(C)CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001576154560 949348555 /nfs/dbraw/zinc/34/85/55/949348555.db2.gz DWTVCJNIQJQVMR-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CN(C)C(=O)C1(c2ccccc2)CCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574703721 949349177 /nfs/dbraw/zinc/34/91/77/949349177.db2.gz XFWBLDXJSZKISP-AWEZNQCLSA-N -1 1 392.467 1.459 20 0 GDADMM CC1(C(=O)N(CCNc2cnc(-c3nnn[n-]3)cn2)Cc2ccccc2)CC1 ZINC001575525934 949359209 /nfs/dbraw/zinc/35/92/09/949359209.db2.gz TWCQNMJZVXSURS-UHFFFAOYSA-N -1 1 378.440 1.898 20 0 GDADMM CC1(C(=O)N(CCNc2cnc(-c3nn[n-]n3)cn2)Cc2ccccc2)CC1 ZINC001575525934 949359232 /nfs/dbraw/zinc/35/92/32/949359232.db2.gz TWCQNMJZVXSURS-UHFFFAOYSA-N -1 1 378.440 1.898 20 0 GDADMM C[C@H](CN(C)C(=O)C1=CCOCC1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574704155 949371942 /nfs/dbraw/zinc/37/19/42/949371942.db2.gz LNHZSLYLZJYQMD-MRVPVSSYSA-N -1 1 383.865 1.582 20 0 GDADMM C[C@H](CN(C)C(=O)C1=CCOCC1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574704155 949371958 /nfs/dbraw/zinc/37/19/58/949371958.db2.gz LNHZSLYLZJYQMD-MRVPVSSYSA-N -1 1 383.865 1.582 20 0 GDADMM C[C@@H]1CCC[C@]1(C)C(=O)N(C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576154958 949376031 /nfs/dbraw/zinc/37/60/31/949376031.db2.gz SLLOAXGEKNZREN-YJYMSZOUSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCC[C@]1(C)C(=O)N(C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576154958 949376044 /nfs/dbraw/zinc/37/60/44/949376044.db2.gz SLLOAXGEKNZREN-YJYMSZOUSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](CN(C)C(=O)C1=COCCO1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574704287 949379911 /nfs/dbraw/zinc/37/99/11/949379911.db2.gz LZGBBCVFZUMRNJ-SSDOTTSWSA-N -1 1 385.837 1.124 20 0 GDADMM C[C@H](CN(C)C(=O)C1=COCCO1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574704287 949379934 /nfs/dbraw/zinc/37/99/34/949379934.db2.gz LZGBBCVFZUMRNJ-SSDOTTSWSA-N -1 1 385.837 1.124 20 0 GDADMM CC(C)n1cnc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC001574463894 949385392 /nfs/dbraw/zinc/38/53/92/949385392.db2.gz ALDQBOAVKXEUPT-INIZCTEOSA-N -1 1 380.456 1.648 20 0 GDADMM C[C@H]1CCC[C@H](C(=O)NCC2(O)CN(Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001576155130 949386337 /nfs/dbraw/zinc/38/63/37/949386337.db2.gz SZRYFAQIQWVYHA-STQMWFEESA-N -1 1 390.513 1.417 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C(C)(C)C(F)F)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575866107 949395958 /nfs/dbraw/zinc/39/59/58/949395958.db2.gz CVMHWXSQINIJJR-ZJUUUORDSA-N -1 1 380.403 1.422 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C(C)(C)C(F)F)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575866107 949395977 /nfs/dbraw/zinc/39/59/77/949395977.db2.gz CVMHWXSQINIJJR-ZJUUUORDSA-N -1 1 380.403 1.422 20 0 GDADMM CC(C)(C)C(=O)N[C@@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C[C@H]1O ZINC001573800619 949398003 /nfs/dbraw/zinc/39/80/03/949398003.db2.gz ZYDLRSPEITVPLU-HTQZYQBOSA-N -1 1 385.881 1.079 20 0 GDADMM CC(C)(C)C(=O)N[C@@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C[C@H]1O ZINC001573800619 949398024 /nfs/dbraw/zinc/39/80/24/949398024.db2.gz ZYDLRSPEITVPLU-HTQZYQBOSA-N -1 1 385.881 1.079 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574464549 949414346 /nfs/dbraw/zinc/41/43/46/949414346.db2.gz LNEJBIOBUMKVNO-CYBMUJFWSA-N -1 1 381.444 1.438 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574464549 949414356 /nfs/dbraw/zinc/41/43/56/949414356.db2.gz LNEJBIOBUMKVNO-CYBMUJFWSA-N -1 1 381.444 1.438 20 0 GDADMM C[C@@]1(C(=O)N2CC[C@H](CCNc3cncc(-c4nnn[n-]4)n3)C2)CCCOC1 ZINC001575533882 949419766 /nfs/dbraw/zinc/41/97/66/949419766.db2.gz IYWUPPTXOZAAJS-SCLBCKFNSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@@]1(C(=O)N2CC[C@H](CCNc3cncc(-c4nn[n-]n4)n3)C2)CCCOC1 ZINC001575533882 949419782 /nfs/dbraw/zinc/41/97/82/949419782.db2.gz IYWUPPTXOZAAJS-SCLBCKFNSA-N -1 1 386.460 1.124 20 0 GDADMM CC1(C(=O)N2CCC([C@@H]3CCN(c4cnc(-c5nnn[n-]5)cn4)C3)CC2)CC1 ZINC001575534846 949437777 /nfs/dbraw/zinc/43/77/77/949437777.db2.gz QSHHSZPEQZTXER-CQSZACIVSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C(=O)N2CCC([C@@H]3CCN(c4cnc(-c5nn[n-]n5)cn4)C3)CC2)CC1 ZINC001575534846 949437795 /nfs/dbraw/zinc/43/77/95/949437795.db2.gz QSHHSZPEQZTXER-CQSZACIVSA-N -1 1 382.472 1.522 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1 ZINC001574465703 949444164 /nfs/dbraw/zinc/44/41/64/949444164.db2.gz WVRBNWOEYADONG-CYBMUJFWSA-N -1 1 381.444 1.438 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1 ZINC001574465703 949444175 /nfs/dbraw/zinc/44/41/75/949444175.db2.gz WVRBNWOEYADONG-CYBMUJFWSA-N -1 1 381.444 1.438 20 0 GDADMM C[C@H](NC(=O)CC(F)(F)F)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575265276 949448459 /nfs/dbraw/zinc/44/84/59/949448459.db2.gz SZUXWJAYZQJDPN-UWVGGRQHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](NC(=O)CC(F)(F)F)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575265276 949448474 /nfs/dbraw/zinc/44/84/74/949448474.db2.gz SZUXWJAYZQJDPN-UWVGGRQHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccn[nH]1 ZINC001576156609 949451869 /nfs/dbraw/zinc/45/18/69/949451869.db2.gz NRZXZXBCXYZJJZ-DIFFPNOSSA-N -1 1 382.432 1.171 20 0 GDADMM C[C@H](CN(C)C(=O)C1CC2(C1)CCOCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001574706295 949453322 /nfs/dbraw/zinc/45/33/22/949453322.db2.gz LWQJIEHYSCFBAW-GFCCVEGCSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H](CN(C)C(=O)C1CC2(C1)CCOCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001574706295 949453343 /nfs/dbraw/zinc/45/33/43/949453343.db2.gz LWQJIEHYSCFBAW-GFCCVEGCSA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)n1nccc1C(=O)NC[C@H]1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574469280 949475218 /nfs/dbraw/zinc/47/52/18/949475218.db2.gz ABBUVPWKFGFPDA-QWHCGFSZSA-N -1 1 396.459 1.445 20 0 GDADMM CC(C)n1nccc1C(=O)NC[C@H]1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574469280 949475236 /nfs/dbraw/zinc/47/52/36/949475236.db2.gz ABBUVPWKFGFPDA-QWHCGFSZSA-N -1 1 396.459 1.445 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cocn1 ZINC001576157390 949482722 /nfs/dbraw/zinc/48/27/22/949482722.db2.gz QBYBJBLOWCFSKI-PIGZYNQJSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cocn1 ZINC001576157390 949482737 /nfs/dbraw/zinc/48/27/37/949482737.db2.gz QBYBJBLOWCFSKI-PIGZYNQJSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cocn1 ZINC001576157389 949483378 /nfs/dbraw/zinc/48/33/78/949483378.db2.gz QBYBJBLOWCFSKI-GTNSWQLSSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cocn1 ZINC001576157389 949483386 /nfs/dbraw/zinc/48/33/86/949483386.db2.gz QBYBJBLOWCFSKI-GTNSWQLSSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@@H]1[C@@H](C(=O)NCc2ccnc(-c3nnn[n-]3)c2)CCN1C(=O)OC(C)(C)C ZINC001575870334 949485070 /nfs/dbraw/zinc/48/50/70/949485070.db2.gz UZJLGWNZPJTPAE-YPMHNXCESA-N -1 1 387.444 1.523 20 0 GDADMM C[C@@H]1[C@@H](C(=O)NCc2ccnc(-c3nn[n-]n3)c2)CCN1C(=O)OC(C)(C)C ZINC001575870334 949485083 /nfs/dbraw/zinc/48/50/83/949485083.db2.gz UZJLGWNZPJTPAE-YPMHNXCESA-N -1 1 387.444 1.523 20 0 GDADMM C[C@@H]1[C@@H](CO)CCN1C(=O)Nc1ccc(Br)c(-c2nnn[n-]2)n1 ZINC001575870301 949485216 /nfs/dbraw/zinc/48/52/16/949485216.db2.gz UJIKONFQWZRRHO-HTQZYQBOSA-N -1 1 382.222 1.259 20 0 GDADMM C[C@@H]1[C@@H](CO)CCN1C(=O)Nc1ccc(Br)c(-c2nn[n-]n2)n1 ZINC001575870301 949485229 /nfs/dbraw/zinc/48/52/29/949485229.db2.gz UJIKONFQWZRRHO-HTQZYQBOSA-N -1 1 382.222 1.259 20 0 GDADMM C[C@@H](CNC(=O)Cn1ccnc1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574949145 949486223 /nfs/dbraw/zinc/48/62/23/949486223.db2.gz REOBCJNQPSPTOR-QMMMGPOBSA-N -1 1 381.853 1.038 20 0 GDADMM C[C@@H](CNC(=O)Cn1ccnc1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574949145 949486231 /nfs/dbraw/zinc/48/62/31/949486231.db2.gz REOBCJNQPSPTOR-QMMMGPOBSA-N -1 1 381.853 1.038 20 0 GDADMM C[C@H](CNC(=O)Cn1ccnc1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574949143 949486594 /nfs/dbraw/zinc/48/65/94/949486594.db2.gz REOBCJNQPSPTOR-MRVPVSSYSA-N -1 1 381.853 1.038 20 0 GDADMM C[C@H](CNC(=O)Cn1ccnc1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574949143 949486607 /nfs/dbraw/zinc/48/66/07/949486607.db2.gz REOBCJNQPSPTOR-MRVPVSSYSA-N -1 1 381.853 1.038 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2(C(F)F)CCC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575870613 949489520 /nfs/dbraw/zinc/48/95/20/949489520.db2.gz VVBYHINPJHVOHA-QWRGUYRKSA-N -1 1 392.414 1.566 20 0 GDADMM CC(C)n1nccc1C(=O)NC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001574470151 949491003 /nfs/dbraw/zinc/49/10/03/949491003.db2.gz NLSKJXDVWKZVKF-GFCCVEGCSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1nccc1C(=O)NC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001574470151 949491019 /nfs/dbraw/zinc/49/10/19/949491019.db2.gz NLSKJXDVWKZVKF-GFCCVEGCSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cn[nH]c1 ZINC001576158526 949499348 /nfs/dbraw/zinc/49/93/48/949499348.db2.gz TZVGKQSLECNOIX-PIGZYNQJSA-N -1 1 382.432 1.171 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cn[nH]c1 ZINC001576158526 949499365 /nfs/dbraw/zinc/49/93/65/949499365.db2.gz TZVGKQSLECNOIX-PIGZYNQJSA-N -1 1 382.432 1.171 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2(F)CCCCC2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575871638 949520368 /nfs/dbraw/zinc/52/03/68/949520368.db2.gz BMVUQHLOECSPNR-QWHCGFSZSA-N -1 1 388.451 1.803 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2(F)CCCCC2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575871638 949520381 /nfs/dbraw/zinc/52/03/81/949520381.db2.gz BMVUQHLOECSPNR-QWHCGFSZSA-N -1 1 388.451 1.803 20 0 GDADMM C[C@@H](OCc1ccccc1)C(=O)NC[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574950017 949524361 /nfs/dbraw/zinc/52/43/61/949524361.db2.gz JRHCWKIFKGNAJF-QWHCGFSZSA-N -1 1 382.428 1.179 20 0 GDADMM C[C@@H](OCc1ccccc1)C(=O)NC[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574950017 949524383 /nfs/dbraw/zinc/52/43/83/949524383.db2.gz JRHCWKIFKGNAJF-QWHCGFSZSA-N -1 1 382.428 1.179 20 0 GDADMM C[C@H]1CCCN(C(=O)CC2(O)CCC2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576163877 949545347 /nfs/dbraw/zinc/54/53/47/949545347.db2.gz DFPYGRONIFOOAQ-JSGCOSHPSA-N -1 1 386.460 1.001 20 0 GDADMM C[C@H]1CCCN(C(=O)CC2(O)CCC2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576163877 949545365 /nfs/dbraw/zinc/54/53/65/949545365.db2.gz DFPYGRONIFOOAQ-JSGCOSHPSA-N -1 1 386.460 1.001 20 0 GDADMM C[C@@H](CC(=O)N(C)C1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001574472453 949552743 /nfs/dbraw/zinc/55/27/43/949552743.db2.gz VCHLKDUUTQKTFE-HIFPTAJRSA-N -1 1 382.428 1.845 20 0 GDADMM C[C@@H](CC(=O)N(C)C1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001574472453 949552768 /nfs/dbraw/zinc/55/27/68/949552768.db2.gz VCHLKDUUTQKTFE-HIFPTAJRSA-N -1 1 382.428 1.845 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2CC3(CCC3)C2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575873019 949566229 /nfs/dbraw/zinc/56/62/29/949566229.db2.gz MRODXZLQYJEXMW-OCCSQVGLSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2CC3(CCC3)C2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575873019 949566244 /nfs/dbraw/zinc/56/62/44/949566244.db2.gz MRODXZLQYJEXMW-OCCSQVGLSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574475872 949579406 /nfs/dbraw/zinc/57/94/06/949579406.db2.gz CSYJDZBNWDUKNN-GOEBONIOSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@@H](CNC(=O)[C@H]1C[C@H]2C[C@H]2C1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574956517 949583912 /nfs/dbraw/zinc/58/39/12/949583912.db2.gz JTAKATNQLUJAAY-AXTSPUMRSA-N -1 1 381.893 1.964 20 0 GDADMM CC(C)C[C@H](C(=O)N[C@H](C)CNc1nccnc1-c1nnn[n-]1)n1ccnc1 ZINC001574125838 949597324 /nfs/dbraw/zinc/59/73/24/949597324.db2.gz TYWZCRWXIFDERY-CHWSQXEVSA-N -1 1 384.448 1.057 20 0 GDADMM CC(C)C[C@H](C(=O)N[C@H](C)CNc1nccnc1-c1nn[n-]n1)n1ccnc1 ZINC001574125838 949597339 /nfs/dbraw/zinc/59/73/39/949597339.db2.gz TYWZCRWXIFDERY-CHWSQXEVSA-N -1 1 384.448 1.057 20 0 GDADMM C[C@]1(C(=O)N2CCCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)CCCOC1 ZINC001575545871 949603974 /nfs/dbraw/zinc/60/39/74/949603974.db2.gz NMNOCONWSMEPDC-ACJLOTCBSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@]1(C(=O)N2CCCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)CCCOC1 ZINC001575545871 949603991 /nfs/dbraw/zinc/60/39/91/949603991.db2.gz NMNOCONWSMEPDC-ACJLOTCBSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CC(C)(C)C2CC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575874668 949613945 /nfs/dbraw/zinc/61/39/45/949613945.db2.gz UANLMYOSCIBGBA-JSGCOSHPSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CC(C)(C)C2CC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575874668 949613957 /nfs/dbraw/zinc/61/39/57/949613957.db2.gz UANLMYOSCIBGBA-JSGCOSHPSA-N -1 1 384.488 1.957 20 0 GDADMM CC(C)CC(C)(C)C(=O)N1C[C@H](C)[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574128685 949631334 /nfs/dbraw/zinc/63/13/34/949631334.db2.gz OQVHQIMKXWHVJH-UONOGXRCSA-N -1 1 386.504 1.657 20 0 GDADMM C[C@H]1CCCC[C@@H]1OCC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576168432 949636381 /nfs/dbraw/zinc/63/63/81/949636381.db2.gz ULVYCIZJNOCQIC-ABHRYQDASA-N -1 1 386.460 1.311 20 0 GDADMM C[C@H]1CCCC[C@@H]1OCC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576168432 949636403 /nfs/dbraw/zinc/63/64/03/949636403.db2.gz ULVYCIZJNOCQIC-ABHRYQDASA-N -1 1 386.460 1.311 20 0 GDADMM C[C@H](NC(=O)CCCC1CC1)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575272288 949637692 /nfs/dbraw/zinc/63/76/92/949637692.db2.gz OOVZIDVEQZXVEX-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](NC(=O)CCCC1CC1)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575272288 949637705 /nfs/dbraw/zinc/63/77/05/949637705.db2.gz OOVZIDVEQZXVEX-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CNC(=O)[C@H](C)OCc1ccccc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574957942 949641123 /nfs/dbraw/zinc/64/11/23/949641123.db2.gz JRHCWKIFKGNAJF-STQMWFEESA-N -1 1 382.428 1.179 20 0 GDADMM C[C@@H](CNC(=O)[C@H](C)OCc1ccccc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574957942 949641136 /nfs/dbraw/zinc/64/11/36/949641136.db2.gz JRHCWKIFKGNAJF-STQMWFEESA-N -1 1 382.428 1.179 20 0 GDADMM C[C@@H](CC(=O)N(CCO)CCNc1cnc(-c2nnn[n-]2)cn1)CC(C)(C)C ZINC001574477178 949643089 /nfs/dbraw/zinc/64/30/89/949643089.db2.gz LCBQDUPMLSNUTQ-ZDUSSCGKSA-N -1 1 390.492 1.352 20 0 GDADMM C[C@@H](CC(=O)N(CCO)CCNc1cnc(-c2nn[n-]n2)cn1)CC(C)(C)C ZINC001574477178 949643105 /nfs/dbraw/zinc/64/31/05/949643105.db2.gz LCBQDUPMLSNUTQ-ZDUSSCGKSA-N -1 1 390.492 1.352 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1ccc(Cl)[nH]1 ZINC001573815004 949646745 /nfs/dbraw/zinc/64/67/45/949646745.db2.gz GAABJQWQCOMSOR-NSHDSACASA-N -1 1 389.851 1.895 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ccc(Cl)[nH]1 ZINC001573815004 949646758 /nfs/dbraw/zinc/64/67/58/949646758.db2.gz GAABJQWQCOMSOR-NSHDSACASA-N -1 1 389.851 1.895 20 0 GDADMM C[C@H]1CCCC[C@@H]1OCC(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576168804 949650279 /nfs/dbraw/zinc/65/02/79/949650279.db2.gz WDQWNJDHUURAAX-ABHRYQDASA-N -1 1 386.460 1.311 20 0 GDADMM C[C@H]1CCCC[C@@H]1OCC(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576168804 949650284 /nfs/dbraw/zinc/65/02/84/949650284.db2.gz WDQWNJDHUURAAX-ABHRYQDASA-N -1 1 386.460 1.311 20 0 GDADMM C[C@H]1[C@H](NC(=O)CCn2cccc2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575877362 949662660 /nfs/dbraw/zinc/66/26/60/949662660.db2.gz LWGQDKASQYVOMU-UONOGXRCSA-N -1 1 381.444 1.022 20 0 GDADMM C[C@H]1[C@H](NC(=O)CCn2cccc2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575877362 949662671 /nfs/dbraw/zinc/66/26/71/949662671.db2.gz LWGQDKASQYVOMU-UONOGXRCSA-N -1 1 381.444 1.022 20 0 GDADMM C[C@@H](NC(=O)CCCC1CCOCC1)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575273326 949664300 /nfs/dbraw/zinc/66/43/00/949664300.db2.gz WDEHDQGDMFLSPA-CHWSQXEVSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@@H](NC(=O)CCCC1CCOCC1)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575273326 949664319 /nfs/dbraw/zinc/66/43/19/949664319.db2.gz WDEHDQGDMFLSPA-CHWSQXEVSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CCC(F)(F)F ZINC001573815936 949667874 /nfs/dbraw/zinc/66/78/74/949667874.db2.gz MEFCKMPTSFZHFX-JTQLQIEISA-N -1 1 386.382 1.942 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CCC(F)(F)F ZINC001573815936 949667885 /nfs/dbraw/zinc/66/78/85/949667885.db2.gz MEFCKMPTSFZHFX-JTQLQIEISA-N -1 1 386.382 1.942 20 0 GDADMM CC(C)CC(C)(C)C(=O)NC[C@H]1COCCN1c1nccnc1-c1nnn[n-]1 ZINC001574131810 949668933 /nfs/dbraw/zinc/66/89/33/949668933.db2.gz KXIBFSIFENZUBM-ZDUSSCGKSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)CC(C)(C)C(=O)NC[C@H]1COCCN1c1nccnc1-c1nn[n-]n1 ZINC001574131810 949668943 /nfs/dbraw/zinc/66/89/43/949668943.db2.gz KXIBFSIFENZUBM-ZDUSSCGKSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CCn2cccc2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575878150 949671067 /nfs/dbraw/zinc/67/10/67/949671067.db2.gz NODDPOGCJFTDFC-KBPBESRZSA-N -1 1 381.444 1.022 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CCn2cccc2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575878150 949671080 /nfs/dbraw/zinc/67/10/80/949671080.db2.gz NODDPOGCJFTDFC-KBPBESRZSA-N -1 1 381.444 1.022 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CCC(F)(F)F)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575878251 949674333 /nfs/dbraw/zinc/67/43/33/949674333.db2.gz OEDPUIPGNUSGHJ-UWVGGRQHSA-N -1 1 384.366 1.473 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CCC(F)(F)F)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575878251 949674347 /nfs/dbraw/zinc/67/43/47/949674347.db2.gz OEDPUIPGNUSGHJ-UWVGGRQHSA-N -1 1 384.366 1.473 20 0 GDADMM CC1(C(=O)N2C[C@@H]3C[C@H]2CN3c2nc(Cl)c(-c3nnn[n-]3)s2)CCC1 ZINC001575552254 949678118 /nfs/dbraw/zinc/67/81/18/949678118.db2.gz GCWLFOZZYNXQJQ-IUCAKERBSA-N -1 1 379.877 1.956 20 0 GDADMM CC1(C(=O)N2C[C@@H]3C[C@H]2CN3c2nc(Cl)c(-c3nn[n-]n3)s2)CCC1 ZINC001575552254 949678128 /nfs/dbraw/zinc/67/81/28/949678128.db2.gz GCWLFOZZYNXQJQ-IUCAKERBSA-N -1 1 379.877 1.956 20 0 GDADMM C[C@@]1(C(=O)N2C[C@@H]3CCC[C@]3(CNc3cnc(-c4nnn[n-]4)cn3)C2)CCOC1 ZINC001575552243 949679835 /nfs/dbraw/zinc/67/98/35/949679835.db2.gz FLRQJJADTAASAW-BKTGTZMESA-N -1 1 398.471 1.124 20 0 GDADMM C[C@@]1(C(=O)N2C[C@@H]3CCC[C@]3(CNc3cnc(-c4nn[n-]n4)cn3)C2)CCOC1 ZINC001575552243 949679851 /nfs/dbraw/zinc/67/98/51/949679851.db2.gz FLRQJJADTAASAW-BKTGTZMESA-N -1 1 398.471 1.124 20 0 GDADMM C[C@H](CNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574958594 949679922 /nfs/dbraw/zinc/67/99/22/949679922.db2.gz TYRSTSXUSHMREF-RCDCFZSISA-N -1 1 392.467 1.791 20 0 GDADMM C[C@H](CNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574958594 949679938 /nfs/dbraw/zinc/67/99/38/949679938.db2.gz TYRSTSXUSHMREF-RCDCFZSISA-N -1 1 392.467 1.791 20 0 GDADMM C[C@@H]1CCCN(C(=O)Cc2ccc[nH]2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576169701 949690677 /nfs/dbraw/zinc/69/06/77/949690677.db2.gz HUXQRJZUXWJECR-DOMZBBRYSA-N -1 1 381.444 1.267 20 0 GDADMM C[C@@H]1CCCN(C(=O)Cc2ccc[nH]2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576169701 949690697 /nfs/dbraw/zinc/69/06/97/949690697.db2.gz HUXQRJZUXWJECR-DOMZBBRYSA-N -1 1 381.444 1.267 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1(CF)CCC1 ZINC001573816945 949691166 /nfs/dbraw/zinc/69/11/66/949691166.db2.gz VWAOUFIOLFNHMS-LLVKDONJSA-N -1 1 376.440 1.161 20 0 GDADMM C[C@@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574958788 949696020 /nfs/dbraw/zinc/69/60/20/949696020.db2.gz WQJILUVBLMAQBG-RBXMUDONSA-N -1 1 383.865 1.033 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@H]1CCOC1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574716709 949701191 /nfs/dbraw/zinc/70/11/91/949701191.db2.gz LEEYYZWNAYXTLF-RKDXNWHRSA-N -1 1 385.881 1.662 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)COC1CCCC1 ZINC001573818955 949745008 /nfs/dbraw/zinc/74/50/08/949745008.db2.gz PMOLLYRBPLDRHF-CQSZACIVSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)COC1CCCC1 ZINC001573818955 949745021 /nfs/dbraw/zinc/74/50/21/949745021.db2.gz PMOLLYRBPLDRHF-CQSZACIVSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001574480847 949757505 /nfs/dbraw/zinc/75/75/05/949757505.db2.gz KODTVXLKXGZCLX-ZIAGYGMSSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001574480847 949757518 /nfs/dbraw/zinc/75/75/18/949757518.db2.gz KODTVXLKXGZCLX-ZIAGYGMSSA-N -1 1 381.444 1.147 20 0 GDADMM CC1(C(=O)N2C[C@@H]3CN(c4nc(Cl)c(-c5nnn[n-]5)s4)C[C@@H]3C2)CC1 ZINC001575559571 949759374 /nfs/dbraw/zinc/75/93/74/949759374.db2.gz WJPMCQREZRYZRQ-DTORHVGOSA-N -1 1 379.877 1.671 20 0 GDADMM CC1(C(=O)N2C[C@@H]3CN(c4nc(Cl)c(-c5nn[n-]n5)s4)C[C@@H]3C2)CC1 ZINC001575559571 949759396 /nfs/dbraw/zinc/75/93/96/949759396.db2.gz WJPMCQREZRYZRQ-DTORHVGOSA-N -1 1 379.877 1.671 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C1(F)CCCC1 ZINC001573820269 949762275 /nfs/dbraw/zinc/76/22/75/949762275.db2.gz WXAKJIIRMIXLLA-GFCCVEGCSA-N -1 1 376.440 1.882 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C1(F)CCCC1 ZINC001573820269 949762290 /nfs/dbraw/zinc/76/22/90/949762290.db2.gz WXAKJIIRMIXLLA-GFCCVEGCSA-N -1 1 376.440 1.882 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@H]1CCCO1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574718153 949764122 /nfs/dbraw/zinc/76/41/22/949764122.db2.gz YUELAVSEHMUTRV-DTWKUNHWSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@H]1CCCO1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574718153 949764134 /nfs/dbraw/zinc/76/41/34/949764134.db2.gz YUELAVSEHMUTRV-DTWKUNHWSA-N -1 1 385.881 1.805 20 0 GDADMM CC1(C(=O)N[C@H]2CC23CCN(c2ccnc(-c4nn[n-]n4)n2)CC3)CC=CC1 ZINC001575559990 949772682 /nfs/dbraw/zinc/77/26/82/949772682.db2.gz HQLLOGVRBQZCJD-ZDUSSCGKSA-N -1 1 380.456 1.488 20 0 GDADMM C[C@@H]1CCCC[C@@H]1C(=O)N1CCC(N(C)c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576171975 949786671 /nfs/dbraw/zinc/78/66/71/949786671.db2.gz RZEZARAZGMRTDI-HIFRSBDPSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCCC[C@@H]1C(=O)N1CCC(N(C)c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576171975 949786681 /nfs/dbraw/zinc/78/66/81/949786681.db2.gz RZEZARAZGMRTDI-HIFRSBDPSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](CN(C)C(=O)CCc1ccc(F)cc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574720786 949802976 /nfs/dbraw/zinc/80/29/76/949802976.db2.gz HEXRKTWLUHOZPN-GFCCVEGCSA-N -1 1 384.419 1.687 20 0 GDADMM C[C@H](CN(C)C(=O)CCc1ccc(F)cc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574720786 949802992 /nfs/dbraw/zinc/80/29/92/949802992.db2.gz HEXRKTWLUHOZPN-GFCCVEGCSA-N -1 1 384.419 1.687 20 0 GDADMM C[C@H](CC(=O)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1)n1cccc1 ZINC001574481850 949805369 /nfs/dbraw/zinc/80/53/69/949805369.db2.gz WHURVBZBHXWWSF-CYBMUJFWSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@H](CC(=O)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1)n1cccc1 ZINC001574481850 949805393 /nfs/dbraw/zinc/80/53/93/949805393.db2.gz WHURVBZBHXWWSF-CYBMUJFWSA-N -1 1 381.444 1.512 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cc(Cl)no1 ZINC001573822793 949805269 /nfs/dbraw/zinc/80/52/69/949805269.db2.gz MWAXYBYDXRXICX-VIFPVBQESA-N -1 1 391.823 1.555 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cc(Cl)no1 ZINC001573822793 949805296 /nfs/dbraw/zinc/80/52/96/949805296.db2.gz MWAXYBYDXRXICX-VIFPVBQESA-N -1 1 391.823 1.555 20 0 GDADMM CC1(C(=O)N[C@H]2CC[C@H](CNc3nccnc3-c3nnn[n-]3)C2)CC(F)(F)C1 ZINC001575561628 949811103 /nfs/dbraw/zinc/81/11/03/949811103.db2.gz BPAXYZKIGFLBJG-QWRGUYRKSA-N -1 1 392.414 1.789 20 0 GDADMM CC1(C(=O)N[C@H]2CC[C@H](CNc3nccnc3-c3nn[n-]n3)C2)CC(F)(F)C1 ZINC001575561628 949811130 /nfs/dbraw/zinc/81/11/30/949811130.db2.gz BPAXYZKIGFLBJG-QWRGUYRKSA-N -1 1 392.414 1.789 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1ncccc1O ZINC001573823021 949814157 /nfs/dbraw/zinc/81/41/57/949814157.db2.gz PWVJEHRRGFAHLH-LLVKDONJSA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[nH]n1)NC(=O)c1ncccc1[O-] ZINC001573823021 949814171 /nfs/dbraw/zinc/81/41/71/949814171.db2.gz PWVJEHRRGFAHLH-LLVKDONJSA-N -1 1 383.416 1.014 20 0 GDADMM C[C@@H]1CCCN(C(=O)CCC2(C)CC2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576172866 949821662 /nfs/dbraw/zinc/82/16/62/949821662.db2.gz YSRAVRTZXBOMPN-ZIAGYGMSSA-N -1 1 384.488 1.698 20 0 GDADMM C[C@H](CNC(=O)c1c(F)cc(F)cc1F)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574965932 949825433 /nfs/dbraw/zinc/82/54/33/949825433.db2.gz OZYIDPXZAIMMOH-MRVPVSSYSA-N -1 1 392.345 1.329 20 0 GDADMM C[C@H](CNC(=O)c1c(F)cc(F)cc1F)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574965932 949825442 /nfs/dbraw/zinc/82/54/42/949825442.db2.gz OZYIDPXZAIMMOH-MRVPVSSYSA-N -1 1 392.345 1.329 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cc(Cl)c[nH]1 ZINC001573823793 949838214 /nfs/dbraw/zinc/83/82/14/949838214.db2.gz YQGXJJQGOPFAJM-GFCCVEGCSA-N -1 1 389.851 1.895 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cc(Cl)c[nH]1 ZINC001573823793 949838235 /nfs/dbraw/zinc/83/82/35/949838235.db2.gz YQGXJJQGOPFAJM-GFCCVEGCSA-N -1 1 389.851 1.895 20 0 GDADMM C[C@@H](CNC(=O)c1c(F)cccc1Cl)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574966320 949843646 /nfs/dbraw/zinc/84/36/46/949843646.db2.gz XBOQOYXCGQITHW-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1c(F)cccc1Cl)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574966320 949843658 /nfs/dbraw/zinc/84/36/58/949843658.db2.gz XBOQOYXCGQITHW-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM CC(C)(C)C1CC(C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001573824622 949855147 /nfs/dbraw/zinc/85/51/47/949855147.db2.gz HOYOJHJXFYHNRA-JXQTWKCFSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)C1CC(C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001573824622 949855168 /nfs/dbraw/zinc/85/51/68/949855168.db2.gz HOYOJHJXFYHNRA-JXQTWKCFSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001574142377 949867450 /nfs/dbraw/zinc/86/74/50/949867450.db2.gz YGPPJMODKCTWKR-TUVASFSCSA-N -1 1 384.488 1.527 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001574142377 949867463 /nfs/dbraw/zinc/86/74/63/949867463.db2.gz YGPPJMODKCTWKR-TUVASFSCSA-N -1 1 384.488 1.527 20 0 GDADMM CC1(C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)CC2)CC(F)(F)C1 ZINC001575565695 949880155 /nfs/dbraw/zinc/88/01/55/949880155.db2.gz XJVGTULLPAYPRJ-LLVKDONJSA-N -1 1 392.414 1.567 20 0 GDADMM CC1(C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)CC2)CC(F)(F)C1 ZINC001575565695 949880180 /nfs/dbraw/zinc/88/01/80/949880180.db2.gz XJVGTULLPAYPRJ-LLVKDONJSA-N -1 1 392.414 1.567 20 0 GDADMM C[C@@H](NC(=O)Cc1cc(C2CC2)no1)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575283932 949884227 /nfs/dbraw/zinc/88/42/27/949884227.db2.gz RQFDGNWUDATQFQ-NXEZZACHSA-N -1 1 383.416 1.070 20 0 GDADMM C[C@@H](NC(=O)Cc1cc(C2CC2)no1)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575283932 949884250 /nfs/dbraw/zinc/88/42/50/949884250.db2.gz RQFDGNWUDATQFQ-NXEZZACHSA-N -1 1 383.416 1.070 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001574143061 949891744 /nfs/dbraw/zinc/89/17/44/949891744.db2.gz FTJWYKOLZMCJLT-AWEZNQCLSA-N -1 1 388.476 1.147 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001574143061 949891757 /nfs/dbraw/zinc/89/17/57/949891757.db2.gz FTJWYKOLZMCJLT-AWEZNQCLSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cn[nH]c2)[C@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576178687 949895804 /nfs/dbraw/zinc/89/58/04/949895804.db2.gz CKZFLFKZGLKURG-RISCZKNCSA-N -1 1 382.432 1.123 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cn[nH]c2)[C@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576178687 949895825 /nfs/dbraw/zinc/89/58/25/949895825.db2.gz CKZFLFKZGLKURG-RISCZKNCSA-N -1 1 382.432 1.123 20 0 GDADMM C[C@@H](CC(=O)N1CCCO[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)C1CC1 ZINC001574484769 949896478 /nfs/dbraw/zinc/89/64/78/949896478.db2.gz NTOAYKONNGDHCQ-GXTWGEPZSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](CC(=O)N1CCCO[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001574484769 949896497 /nfs/dbraw/zinc/89/64/97/949896497.db2.gz NTOAYKONNGDHCQ-GXTWGEPZSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001574484836 949906985 /nfs/dbraw/zinc/90/69/85/949906985.db2.gz PLMVRTDPQBEGEQ-ZIAGYGMSSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001574484836 949906998 /nfs/dbraw/zinc/90/69/98/949906998.db2.gz PLMVRTDPQBEGEQ-ZIAGYGMSSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@@H](CC(=O)N1CCCC[C@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001574484956 949913087 /nfs/dbraw/zinc/91/30/87/949913087.db2.gz SIHAATYMZFXGLK-ZFWWWQNUSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](CC(=O)N1CCCC[C@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001574484954 949916406 /nfs/dbraw/zinc/91/64/06/949916406.db2.gz SIHAATYMZFXGLK-HIFRSBDPSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)(C)CC(=O)N1CCC[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)CC[C@H]21 ZINC001573829979 949964372 /nfs/dbraw/zinc/96/43/72/949964372.db2.gz GIIWPRAWRACCFL-UKRRQHHQSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)(C)CC(=O)N1CCC[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)CC[C@H]21 ZINC001573829979 949964389 /nfs/dbraw/zinc/96/43/89/949964389.db2.gz GIIWPRAWRACCFL-UKRRQHHQSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCN(C(=O)C2CC3(CC3)C2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576180589 949964566 /nfs/dbraw/zinc/96/45/66/949964566.db2.gz FKJFZHHBKXAPNW-OCCSQVGLSA-N -1 1 382.472 1.165 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001574490176 949978604 /nfs/dbraw/zinc/97/86/04/949978604.db2.gz NXPDWVXKTQSGLL-KXUCPTDWSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001574490176 949978625 /nfs/dbraw/zinc/97/86/25/949978625.db2.gz NXPDWVXKTQSGLL-KXUCPTDWSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H](C)[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1)C1CC1 ZINC001574490129 949978747 /nfs/dbraw/zinc/97/87/47/949978747.db2.gz NFNLLJILMOCLPA-UMVBOHGHSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H](C)[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1)C1CC1 ZINC001574490129 949978769 /nfs/dbraw/zinc/97/87/69/949978769.db2.gz NFNLLJILMOCLPA-UMVBOHGHSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H](C)[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1)C1CC1 ZINC001574490128 949981034 /nfs/dbraw/zinc/98/10/34/949981034.db2.gz NFNLLJILMOCLPA-GZBFAFLISA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H](C)[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1)C1CC1 ZINC001574490128 949981056 /nfs/dbraw/zinc/98/10/56/949981056.db2.gz NFNLLJILMOCLPA-GZBFAFLISA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H](CC(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)n1cccc1 ZINC001574490380 949989977 /nfs/dbraw/zinc/98/99/77/949989977.db2.gz QNBHGDYGBPDZBN-JSGCOSHPSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](CC(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)n1cccc1 ZINC001574490380 949989999 /nfs/dbraw/zinc/98/99/99/949989999.db2.gz QNBHGDYGBPDZBN-JSGCOSHPSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1cc(F)ccc1F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574728775 950007556 /nfs/dbraw/zinc/00/75/56/950007556.db2.gz JKMXUAGWLRLLTJ-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1cc(F)ccc1F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574728775 950007577 /nfs/dbraw/zinc/00/75/77/950007577.db2.gz JKMXUAGWLRLLTJ-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001574491205 950029700 /nfs/dbraw/zinc/02/97/00/950029700.db2.gz BATFBDWIUIWOCI-HOCLYGCPSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574491205 950029730 /nfs/dbraw/zinc/02/97/30/950029730.db2.gz BATFBDWIUIWOCI-HOCLYGCPSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@@H]1CCN(C(=O)Cc2ccoc2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576182125 950038673 /nfs/dbraw/zinc/03/86/73/950038673.db2.gz LJHQOKLHLHAPRO-OCCSQVGLSA-N -1 1 382.428 1.389 20 0 GDADMM C[C@@H]1CCN(C(=O)Cc2ccoc2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576182125 950038696 /nfs/dbraw/zinc/03/86/96/950038696.db2.gz LJHQOKLHLHAPRO-OCCSQVGLSA-N -1 1 382.428 1.389 20 0 GDADMM C[C@H](CC(=O)N[C@@]1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574491609 950042415 /nfs/dbraw/zinc/04/24/15/950042415.db2.gz DXEAYBHNBHGXCS-VLIAUNLRSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001574491796 950043303 /nfs/dbraw/zinc/04/33/03/950043303.db2.gz GDMYMXIGPCVAAX-UWVGGRQHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574491796 950043322 /nfs/dbraw/zinc/04/33/22/950043322.db2.gz GDMYMXIGPCVAAX-UWVGGRQHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2)C1CC1 ZINC001574491937 950050339 /nfs/dbraw/zinc/05/03/39/950050339.db2.gz HDUAHAGJGGMCCV-JSGCOSHPSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2)C1CC1 ZINC001574491937 950050360 /nfs/dbraw/zinc/05/03/60/950050360.db2.gz HDUAHAGJGGMCCV-JSGCOSHPSA-N -1 1 382.472 1.568 20 0 GDADMM CC(C)(C)CC(=O)N[C@@H]1CC[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@H]2C1 ZINC001573835393 950051922 /nfs/dbraw/zinc/05/19/22/950051922.db2.gz WQTPUUSCCCQZMH-HZSPNIEDSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H]1CCN(C(=O)C2C=CC=CC=C2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576182466 950053390 /nfs/dbraw/zinc/05/33/90/950053390.db2.gz MDLGRRIGVPBMSF-GDBMZVCRSA-N -1 1 392.467 1.852 20 0 GDADMM C[C@@H]1CCN(C(=O)C2C=CC=CC=C2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576182466 950053409 /nfs/dbraw/zinc/05/34/09/950053409.db2.gz MDLGRRIGVPBMSF-GDBMZVCRSA-N -1 1 392.467 1.852 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574491987 950054040 /nfs/dbraw/zinc/05/40/40/950054040.db2.gz HYALNMGSNXCBNK-ZFWWWQNUSA-N -1 1 378.440 1.545 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ccc(Cl)s1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574731985 950063305 /nfs/dbraw/zinc/06/33/05/950063305.db2.gz ZKUAIPNBNRZCEA-SECBINFHSA-N -1 1 392.876 1.873 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ccc(Cl)s1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574731985 950063329 /nfs/dbraw/zinc/06/33/29/950063329.db2.gz ZKUAIPNBNRZCEA-SECBINFHSA-N -1 1 392.876 1.873 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C)C1CC1 ZINC001574492129 950063793 /nfs/dbraw/zinc/06/37/93/950063793.db2.gz JNEOFRZTNCDXNR-WFASDCNBSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C)C1CC1 ZINC001574492129 950063815 /nfs/dbraw/zinc/06/38/15/950063815.db2.gz JNEOFRZTNCDXNR-WFASDCNBSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](CN(C)C(=O)Cn1ccc2ccccc21)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574732933 950085378 /nfs/dbraw/zinc/08/53/78/950085378.db2.gz NDSRAOASSVCSCI-ZDUSSCGKSA-N -1 1 391.439 1.570 20 0 GDADMM C[C@@H](CN(C)C(=O)Cn1ccc2ccccc21)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574732933 950085393 /nfs/dbraw/zinc/08/53/93/950085393.db2.gz NDSRAOASSVCSCI-ZDUSSCGKSA-N -1 1 391.439 1.570 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2ccoc2Cl)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575893875 950088912 /nfs/dbraw/zinc/08/89/12/950088912.db2.gz BRHDKRMAZSRSRT-ONGXEEELSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2ccoc2Cl)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575893875 950088926 /nfs/dbraw/zinc/08/89/26/950088926.db2.gz BRHDKRMAZSRSRT-ONGXEEELSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@H](CC(=O)N[C@@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001574492483 950089635 /nfs/dbraw/zinc/08/96/35/950089635.db2.gz NHRLBWKONXATII-OTYXRUKQSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](CC(=O)N[C@@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001574492483 950089643 /nfs/dbraw/zinc/08/96/43/950089643.db2.gz NHRLBWKONXATII-OTYXRUKQSA-N -1 1 384.366 1.330 20 0 GDADMM CC1(C(=O)NC[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)CCCCC1 ZINC001575582179 950104850 /nfs/dbraw/zinc/10/48/50/950104850.db2.gz APJVHTWPEIJZHV-CQSZACIVSA-N -1 1 384.488 1.960 20 0 GDADMM CC1(C(=O)NC[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)CCCCC1 ZINC001575582179 950104860 /nfs/dbraw/zinc/10/48/60/950104860.db2.gz APJVHTWPEIJZHV-CQSZACIVSA-N -1 1 384.488 1.960 20 0 GDADMM C[C@H](CC(=O)NC[C@H](C)N(C)c1cncc(-c2nnn[n-]2)n1)c1ccncc1 ZINC001574492894 950107020 /nfs/dbraw/zinc/10/70/20/950107020.db2.gz DNXHTNHWFFPGOG-OLZOCXBDSA-N -1 1 381.444 1.186 20 0 GDADMM C[C@H](CC(=O)NC[C@H](C)N(C)c1cncc(-c2nn[n-]n2)n1)c1ccncc1 ZINC001574492894 950107028 /nfs/dbraw/zinc/10/70/28/950107028.db2.gz DNXHTNHWFFPGOG-OLZOCXBDSA-N -1 1 381.444 1.186 20 0 GDADMM C[C@@H](CC(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1)c1ccco1 ZINC001574492851 950108224 /nfs/dbraw/zinc/10/82/24/950108224.db2.gz DGIOSCQQGMJVNA-LBPRGKRZSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](CC(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1)c1ccco1 ZINC001574492851 950108246 /nfs/dbraw/zinc/10/82/46/950108246.db2.gz DGIOSCQQGMJVNA-LBPRGKRZSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1)c1ccncc1 ZINC001574493209 950117040 /nfs/dbraw/zinc/11/70/40/950117040.db2.gz FLLRQQCRPBFJJL-STQMWFEESA-N -1 1 381.444 1.186 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1)c1ccncc1 ZINC001574493209 950117053 /nfs/dbraw/zinc/11/70/53/950117053.db2.gz FLLRQQCRPBFJJL-STQMWFEESA-N -1 1 381.444 1.186 20 0 GDADMM CC1(C(=O)NC[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)CCCCC1 ZINC001575582734 950125268 /nfs/dbraw/zinc/12/52/68/950125268.db2.gz GKRAWHYQDJNLAY-CQSZACIVSA-N -1 1 384.488 1.960 20 0 GDADMM CC1(C(=O)NC[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)CCCCC1 ZINC001575582734 950125281 /nfs/dbraw/zinc/12/52/81/950125281.db2.gz GKRAWHYQDJNLAY-CQSZACIVSA-N -1 1 384.488 1.960 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574493308 950127860 /nfs/dbraw/zinc/12/78/60/950127860.db2.gz SCIJWWBIMHAMDM-ZBFHGGJFSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001574493916 950146378 /nfs/dbraw/zinc/14/63/78/950146378.db2.gz VHFRQEWWIGFLEQ-QWHCGFSZSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001574493916 950146389 /nfs/dbraw/zinc/14/63/89/950146389.db2.gz VHFRQEWWIGFLEQ-QWHCGFSZSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H]1CCN(C(=O)Cc2ccccc2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576185072 950156618 /nfs/dbraw/zinc/15/66/18/950156618.db2.gz ZBFZIBMCMMNAFT-GDBMZVCRSA-N -1 1 392.467 1.796 20 0 GDADMM C[C@@H]1CCN(C(=O)Cc2ccccc2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576185072 950156629 /nfs/dbraw/zinc/15/66/29/950156629.db2.gz ZBFZIBMCMMNAFT-GDBMZVCRSA-N -1 1 392.467 1.796 20 0 GDADMM C[C@H]1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576190368 950159378 /nfs/dbraw/zinc/15/93/78/950159378.db2.gz AOEPOSDBBOCQJK-AHDPXTMNSA-N -1 1 382.472 1.599 20 0 GDADMM C[C@H]1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576190368 950159389 /nfs/dbraw/zinc/15/93/89/950159389.db2.gz AOEPOSDBBOCQJK-AHDPXTMNSA-N -1 1 382.472 1.599 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccco1 ZINC001574494456 950164334 /nfs/dbraw/zinc/16/43/34/950164334.db2.gz ZBDVMHQPEZSULS-STQMWFEESA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccco1 ZINC001574494456 950164349 /nfs/dbraw/zinc/16/43/49/950164349.db2.gz ZBDVMHQPEZSULS-STQMWFEESA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](CC(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)n1cccc1 ZINC001574494679 950180674 /nfs/dbraw/zinc/18/06/74/950180674.db2.gz MQXCPXQTAAANLX-CYBMUJFWSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](CC(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)n1cccc1 ZINC001574494679 950180685 /nfs/dbraw/zinc/18/06/85/950180685.db2.gz MQXCPXQTAAANLX-CYBMUJFWSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1)CC(C)(C)C ZINC001574497661 950232061 /nfs/dbraw/zinc/23/20/61/950232061.db2.gz ASRXRZOZEJBCMB-NEPJUHHUSA-N -1 1 376.465 1.008 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1)CC(C)(C)C ZINC001574497661 950232079 /nfs/dbraw/zinc/23/20/79/950232079.db2.gz ASRXRZOZEJBCMB-NEPJUHHUSA-N -1 1 376.465 1.008 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cncs2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576192284 950236013 /nfs/dbraw/zinc/23/60/13/950236013.db2.gz LRTNCRPMZAFYPV-GHMZBOCLSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cncs2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576192284 950236022 /nfs/dbraw/zinc/23/60/22/950236022.db2.gz LRTNCRPMZAFYPV-GHMZBOCLSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2occc2Cl)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575902439 950260487 /nfs/dbraw/zinc/26/04/87/950260487.db2.gz UWLPFCUPNDHOIJ-MWLCHTKSSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@H]1C[C@@H](NS(=O)(=O)c2n[nH]cc2C(=O)[O-])CCN1Cc1ccccc1 ZINC000379617738 971648884 /nfs/dbraw/zinc/64/88/84/971648884.db2.gz NNLHUGRGQCPEDG-JSGCOSHPSA-N -1 1 378.454 1.439 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CSC(C)C ZINC001574158323 950278664 /nfs/dbraw/zinc/27/86/64/950278664.db2.gz QVRFCPUUWSOUAC-GFCCVEGCSA-N -1 1 378.506 1.741 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CSC(C)C ZINC001574158323 950278682 /nfs/dbraw/zinc/27/86/82/950278682.db2.gz QVRFCPUUWSOUAC-GFCCVEGCSA-N -1 1 378.506 1.741 20 0 GDADMM C[C@H]1CCN(C(=O)c2cccn2C)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576193529 950302839 /nfs/dbraw/zinc/30/28/39/950302839.db2.gz VSZVCLUCOZJDCP-STQMWFEESA-N -1 1 381.444 1.206 20 0 GDADMM C[C@H]1CCN(C(=O)c2cccn2C)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576193529 950302860 /nfs/dbraw/zinc/30/28/60/950302860.db2.gz VSZVCLUCOZJDCP-STQMWFEESA-N -1 1 381.444 1.206 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[C@@H]1CCCCO1 ZINC001574159350 950305425 /nfs/dbraw/zinc/30/54/25/950305425.db2.gz FZKOUXPZBCSHIC-KGLIPLIRSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[C@@H]1CCCCO1 ZINC001574159350 950305446 /nfs/dbraw/zinc/30/54/46/950305446.db2.gz FZKOUXPZBCSHIC-KGLIPLIRSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C[C@@H]1CCCOC1 ZINC001574159611 950312588 /nfs/dbraw/zinc/31/25/88/950312588.db2.gz WSBRJEIIHYKUEZ-UONOGXRCSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@@H]1CCCOC1 ZINC001574159611 950312607 /nfs/dbraw/zinc/31/26/07/950312607.db2.gz WSBRJEIIHYKUEZ-UONOGXRCSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H](C)C(F)(F)F ZINC001574159701 950313028 /nfs/dbraw/zinc/31/30/28/950313028.db2.gz YBRDSZBLLMKHHN-VHSXEESVSA-N -1 1 386.382 1.798 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H](C)C(F)(F)F ZINC001574159701 950313046 /nfs/dbraw/zinc/31/30/46/950313046.db2.gz YBRDSZBLLMKHHN-VHSXEESVSA-N -1 1 386.382 1.798 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H](C)C(F)(F)F ZINC001574159702 950313493 /nfs/dbraw/zinc/31/34/93/950313493.db2.gz YBRDSZBLLMKHHN-ZJUUUORDSA-N -1 1 386.382 1.798 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H](C)C(F)(F)F ZINC001574159702 950313513 /nfs/dbraw/zinc/31/35/13/950313513.db2.gz YBRDSZBLLMKHHN-ZJUUUORDSA-N -1 1 386.382 1.798 20 0 GDADMM CC1(C(=O)NC[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)CCC2(F)F)CC1 ZINC001575593528 950318394 /nfs/dbraw/zinc/31/83/94/950318394.db2.gz HGJBBOZEIKQIDD-SNVBAGLBSA-N -1 1 378.387 1.035 20 0 GDADMM CC1(C(=O)NC[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)CCC2(F)F)CC1 ZINC001575593528 950318415 /nfs/dbraw/zinc/31/84/15/950318415.db2.gz HGJBBOZEIKQIDD-SNVBAGLBSA-N -1 1 378.387 1.035 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@H](CCC(=O)Nc2n[nH]cc2-c2nnn[n-]2)C1 ZINC001573853210 950319944 /nfs/dbraw/zinc/31/99/44/950319944.db2.gz OGOMFODVMJXDGH-LLVKDONJSA-N -1 1 390.448 1.956 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@H](CCC(=O)Nc2n[nH]cc2-c2nn[n-]n2)C1 ZINC001573853210 950319965 /nfs/dbraw/zinc/31/99/65/950319965.db2.gz OGOMFODVMJXDGH-LLVKDONJSA-N -1 1 390.448 1.956 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)o2)[C@@H](F)C1 ZINC001573853763 950331212 /nfs/dbraw/zinc/33/12/12/950331212.db2.gz VFNCOJHOKHQHSP-VHSXEESVSA-N -1 1 380.380 1.537 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)o2)[C@@H](F)C1 ZINC001573853763 950331230 /nfs/dbraw/zinc/33/12/30/950331230.db2.gz VFNCOJHOKHQHSP-VHSXEESVSA-N -1 1 380.380 1.537 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)[C@H](F)C1 ZINC001573853715 950334175 /nfs/dbraw/zinc/33/41/75/950334175.db2.gz UBWBIPGUSVZAFN-VXGBXAGGSA-N -1 1 391.407 1.339 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)[C@H](F)C1 ZINC001573853715 950334197 /nfs/dbraw/zinc/33/41/97/950334197.db2.gz UBWBIPGUSVZAFN-VXGBXAGGSA-N -1 1 391.407 1.339 20 0 GDADMM CC1(C(=O)NCCC2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)CCCC1 ZINC001575595396 950355576 /nfs/dbraw/zinc/35/55/76/950355576.db2.gz ZDQWPXSFWNSOPH-UHFFFAOYSA-N -1 1 384.488 1.960 20 0 GDADMM CC1(C(=O)NCCC2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)CCCC1 ZINC001575595396 950355593 /nfs/dbraw/zinc/35/55/93/950355593.db2.gz ZDQWPXSFWNSOPH-UHFFFAOYSA-N -1 1 384.488 1.960 20 0 GDADMM CC1(C(=O)NC[C@H]2c3ccccc3CCN2c2nccnc2-c2nnn[n-]2)CC1 ZINC001575595618 950357725 /nfs/dbraw/zinc/35/77/25/950357725.db2.gz PGTVVJDIKPWLMJ-HNNXBMFYSA-N -1 1 390.451 1.677 20 0 GDADMM CC1(C(=O)NC[C@H]2c3ccccc3CCN2c2nccnc2-c2nn[n-]n2)CC1 ZINC001575595618 950357743 /nfs/dbraw/zinc/35/77/43/950357743.db2.gz PGTVVJDIKPWLMJ-HNNXBMFYSA-N -1 1 390.451 1.677 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CC[C@H]1CCCO1 ZINC001574162541 950386864 /nfs/dbraw/zinc/38/68/64/950386864.db2.gz CTBZSQGBVHQOMX-ZIAGYGMSSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CC[C@H]1CCCO1 ZINC001574162541 950386880 /nfs/dbraw/zinc/38/68/80/950386880.db2.gz CTBZSQGBVHQOMX-ZIAGYGMSSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc(C(C)(C)C)n[nH]1)Nc1nccnc1-c1nnn[n-]1 ZINC001574745858 950393093 /nfs/dbraw/zinc/39/30/93/950393093.db2.gz LEXIWNQKTZVTQH-JTQLQIEISA-N -1 1 384.448 1.250 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc(C(C)(C)C)n[nH]1)Nc1nccnc1-c1nn[n-]n1 ZINC001574745858 950393113 /nfs/dbraw/zinc/39/31/13/950393113.db2.gz LEXIWNQKTZVTQH-JTQLQIEISA-N -1 1 384.448 1.250 20 0 GDADMM CC(C)(C)OC(=O)N1CCO[C@](C)(CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573857095 950398115 /nfs/dbraw/zinc/39/81/15/950398115.db2.gz NQUFCHPFMVXLSJ-MRXNPFEDSA-N -1 1 376.421 1.095 20 0 GDADMM CC(C)(C)OC(=O)N1CCO[C@](C)(CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573857095 950398131 /nfs/dbraw/zinc/39/81/31/950398131.db2.gz NQUFCHPFMVXLSJ-MRXNPFEDSA-N -1 1 376.421 1.095 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccccc1 ZINC001574503488 950415346 /nfs/dbraw/zinc/41/53/46/950415346.db2.gz XDLGOWFPZDUXSK-LSDHHAIUSA-N -1 1 392.467 1.793 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccccc1 ZINC001574503488 950415357 /nfs/dbraw/zinc/41/53/57/950415357.db2.gz XDLGOWFPZDUXSK-LSDHHAIUSA-N -1 1 392.467 1.793 20 0 GDADMM CC1(C(=O)NC[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CC(F)(F)C1 ZINC001575597665 950416130 /nfs/dbraw/zinc/41/61/30/950416130.db2.gz UXMHNHDSWTVLSO-MGCOHNPYSA-N -1 1 378.387 1.399 20 0 GDADMM CC1(C(=O)NC[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CC(F)(F)C1 ZINC001575597665 950416143 /nfs/dbraw/zinc/41/61/43/950416143.db2.gz UXMHNHDSWTVLSO-MGCOHNPYSA-N -1 1 378.387 1.399 20 0 GDADMM C[C@H](CC(=O)NCC=CCNc1cnc(-c2nnn[n-]2)cn1)c1ccncc1 ZINC001574503668 950417697 /nfs/dbraw/zinc/41/76/97/950417697.db2.gz YNXTVPQCZNZCAK-XQJDBVBESA-N -1 1 379.428 1.330 20 0 GDADMM C[C@H](CC(=O)NCC=CCNc1cnc(-c2nn[n-]n2)cn1)c1ccncc1 ZINC001574503668 950417713 /nfs/dbraw/zinc/41/77/13/950417713.db2.gz YNXTVPQCZNZCAK-XQJDBVBESA-N -1 1 379.428 1.330 20 0 GDADMM CC(C)CC1(C(=O)NC[C@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)CCC1 ZINC001574165806 950456518 /nfs/dbraw/zinc/45/65/18/950456518.db2.gz JBGQJWWTCKGADD-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CC1(C(=O)NC[C@H]2CCCN2c2cncc(-c3nn[n-]n3)n2)CCC1 ZINC001574165806 950456528 /nfs/dbraw/zinc/45/65/28/950456528.db2.gz JBGQJWWTCKGADD-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CC1(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CCC1 ZINC001574166382 950461643 /nfs/dbraw/zinc/46/16/43/950461643.db2.gz PYYVRTGXTHHGAS-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CC1(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CCC1 ZINC001574166382 950461654 /nfs/dbraw/zinc/46/16/54/950461654.db2.gz PYYVRTGXTHHGAS-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@]1(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CCc2ccccc21 ZINC001575608219 950512821 /nfs/dbraw/zinc/51/28/21/950512821.db2.gz OOOKHEXSDUEFFA-LAPQFRIASA-N -1 1 390.451 1.620 20 0 GDADMM C[C@@]1(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CCc2ccccc21 ZINC001575608219 950512832 /nfs/dbraw/zinc/51/28/32/950512832.db2.gz OOOKHEXSDUEFFA-LAPQFRIASA-N -1 1 390.451 1.620 20 0 GDADMM CC(C)(C)OCC(=O)N1CCC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573866770 950513091 /nfs/dbraw/zinc/51/30/91/950513091.db2.gz MCUKMEMSPGVHHB-ZDUSSCGKSA-N -1 1 388.476 1.512 20 0 GDADMM CC(C)(C)OCC(=O)N1CCC[C@@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573866770 950513103 /nfs/dbraw/zinc/51/31/03/950513103.db2.gz MCUKMEMSPGVHHB-ZDUSSCGKSA-N -1 1 388.476 1.512 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001574509738 950525613 /nfs/dbraw/zinc/52/56/13/950525613.db2.gz XSNFZOVLTREXNJ-LPEHRKFASA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001574509738 950525631 /nfs/dbraw/zinc/52/56/31/950525631.db2.gz XSNFZOVLTREXNJ-LPEHRKFASA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001574509734 950527027 /nfs/dbraw/zinc/52/70/27/950527027.db2.gz XSNFZOVLTREXNJ-GUBZILKMSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001574509734 950527050 /nfs/dbraw/zinc/52/70/50/950527050.db2.gz XSNFZOVLTREXNJ-GUBZILKMSA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)c1ccc(C(=O)N(C)C[C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)nc1 ZINC001574753577 950531812 /nfs/dbraw/zinc/53/18/12/950531812.db2.gz PVAGSUQBRXSWTH-GFCCVEGCSA-N -1 1 381.444 1.748 20 0 GDADMM CC(C)c1ccc(C(=O)N(C)C[C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)nc1 ZINC001574753577 950531831 /nfs/dbraw/zinc/53/18/31/950531831.db2.gz PVAGSUQBRXSWTH-GFCCVEGCSA-N -1 1 381.444 1.748 20 0 GDADMM CC(C)c1ccc(C(=O)N(C)C[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)cn1 ZINC001574753541 950532468 /nfs/dbraw/zinc/53/24/68/950532468.db2.gz OWAZJZZTCJDTSX-GFCCVEGCSA-N -1 1 381.444 1.748 20 0 GDADMM CC(C)c1ccc(C(=O)N(C)C[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)cn1 ZINC001574753541 950532474 /nfs/dbraw/zinc/53/24/74/950532474.db2.gz OWAZJZZTCJDTSX-GFCCVEGCSA-N -1 1 381.444 1.748 20 0 GDADMM C[C@@H](NC(=O)C[C@H](C)C1CC1)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574511364 950556934 /nfs/dbraw/zinc/55/69/34/950556934.db2.gz IVXGJXXOQFFLCD-QWHCGFSZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](NC(=O)C[C@H](C)C1CC1)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574511364 950556941 /nfs/dbraw/zinc/55/69/41/950556941.db2.gz IVXGJXXOQFFLCD-QWHCGFSZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C)n1cccc1 ZINC001574511394 950560714 /nfs/dbraw/zinc/56/07/14/950560714.db2.gz JPTQUTHOMPHPNM-MGPQQGTHSA-N -1 1 381.444 1.050 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573869587 950570256 /nfs/dbraw/zinc/57/02/56/950570256.db2.gz QXUULIMKKSCGHV-OLZOCXBDSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573869587 950570271 /nfs/dbraw/zinc/57/02/71/950570271.db2.gz QXUULIMKKSCGHV-OLZOCXBDSA-N -1 1 388.476 1.559 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)NC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575616919 950589302 /nfs/dbraw/zinc/58/93/02/950589302.db2.gz UUZLOCSJQUKVLR-GFCCVEGCSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575616919 950589317 /nfs/dbraw/zinc/58/93/17/950589317.db2.gz UUZLOCSJQUKVLR-GFCCVEGCSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ncc(F)cc1F ZINC001575918186 950591476 /nfs/dbraw/zinc/59/14/76/950591476.db2.gz BBXXOHJFKQJZEU-KCJUWKMLSA-N -1 1 387.354 1.045 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ncc(F)cc1F ZINC001575918186 950591488 /nfs/dbraw/zinc/59/14/88/950591488.db2.gz BBXXOHJFKQJZEU-KCJUWKMLSA-N -1 1 387.354 1.045 20 0 GDADMM CC(C)(C)OCC(=O)NCCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573870529 950596175 /nfs/dbraw/zinc/59/61/75/950596175.db2.gz HHPPOBCCVRXCJU-UHFFFAOYSA-N -1 1 388.476 1.195 20 0 GDADMM CC(C)(C)OCC(=O)NCCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573870529 950596189 /nfs/dbraw/zinc/59/61/89/950596189.db2.gz HHPPOBCCVRXCJU-UHFFFAOYSA-N -1 1 388.476 1.195 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)cc(Cl)c1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575000530 950606704 /nfs/dbraw/zinc/60/67/04/950606704.db2.gz FEFZGFXSPMBSKY-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C)C(F)(F)F ZINC001574513500 950609028 /nfs/dbraw/zinc/60/90/28/950609028.db2.gz RHCMRYBRSZULRX-AEJSXWLSSA-N -1 1 384.366 1.329 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C)C(F)(F)F ZINC001574513500 950609042 /nfs/dbraw/zinc/60/90/42/950609042.db2.gz RHCMRYBRSZULRX-AEJSXWLSSA-N -1 1 384.366 1.329 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccc(CF)cc1 ZINC001575919610 950614795 /nfs/dbraw/zinc/61/47/95/950614795.db2.gz IIXWBRTUPWFNIE-RISCZKNCSA-N -1 1 382.403 1.841 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccc(CF)cc1 ZINC001575919610 950614813 /nfs/dbraw/zinc/61/48/13/950614813.db2.gz IIXWBRTUPWFNIE-RISCZKNCSA-N -1 1 382.403 1.841 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)c[nH]1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575000841 950618348 /nfs/dbraw/zinc/61/83/48/950618348.db2.gz GSWUJNTZWBTLLU-LURJTMIESA-N -1 1 384.828 1.922 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)c[nH]1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575000841 950618362 /nfs/dbraw/zinc/61/83/62/950618362.db2.gz GSWUJNTZWBTLLU-LURJTMIESA-N -1 1 384.828 1.922 20 0 GDADMM C[C@@H](CNC(=O)c1cc2c(o1)CCCC2)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575000857 950619122 /nfs/dbraw/zinc/61/91/22/950619122.db2.gz HDCADAAFFPJTME-LLVKDONJSA-N -1 1 382.428 1.607 20 0 GDADMM C[C@@H](CNC(=O)c1cc2c(o1)CCCC2)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575000857 950619139 /nfs/dbraw/zinc/61/91/39/950619139.db2.gz HDCADAAFFPJTME-LLVKDONJSA-N -1 1 382.428 1.607 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccoc1C1CC1 ZINC001575919623 950619278 /nfs/dbraw/zinc/61/92/78/950619278.db2.gz IMOOZHNBJUMQHB-ZWNOBZJWSA-N -1 1 380.412 1.842 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccoc1C1CC1 ZINC001575919623 950619294 /nfs/dbraw/zinc/61/92/94/950619294.db2.gz IMOOZHNBJUMQHB-ZWNOBZJWSA-N -1 1 380.412 1.842 20 0 GDADMM CC1(C)C(C(=O)N[C@H]2CCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)C1(C)C ZINC001575619801 950622369 /nfs/dbraw/zinc/62/23/69/950622369.db2.gz PTAVTXGXXICCBJ-RYUDHWBXSA-N -1 1 384.488 1.458 20 0 GDADMM CC(C)CCC(=O)N1C[C@@]2(C)CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@]2(C)C1 ZINC001574174269 950626572 /nfs/dbraw/zinc/62/65/72/950626572.db2.gz GMBZXNXJPYYVEI-KDURUIRLSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)CCC(=O)N1C[C@@]2(C)CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@]2(C)C1 ZINC001574174269 950626582 /nfs/dbraw/zinc/62/65/82/950626582.db2.gz GMBZXNXJPYYVEI-KDURUIRLSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](CNC(=O)c1cc2c(o1)CCCC2)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575001215 950629308 /nfs/dbraw/zinc/62/93/08/950629308.db2.gz IKCHLNKNQVYMEF-LLVKDONJSA-N -1 1 382.428 1.607 20 0 GDADMM C[C@@H](CNC(=O)c1cc2c(o1)CCCC2)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575001215 950629317 /nfs/dbraw/zinc/62/93/17/950629317.db2.gz IKCHLNKNQVYMEF-LLVKDONJSA-N -1 1 382.428 1.607 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cnc(C2CC2)o1 ZINC001575920509 950632100 /nfs/dbraw/zinc/63/21/00/950632100.db2.gz MISZEDZKRRLYPP-MWLCHTKSSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cnc(C2CC2)o1 ZINC001575920509 950632104 /nfs/dbraw/zinc/63/21/04/950632104.db2.gz MISZEDZKRRLYPP-MWLCHTKSSA-N -1 1 381.400 1.237 20 0 GDADMM CC1(C)C(C(=O)N2CCC[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)C1(C)C ZINC001575620361 950633009 /nfs/dbraw/zinc/63/30/09/950633009.db2.gz XBQUBOXRKJTUEE-LBPRGKRZSA-N -1 1 384.488 1.989 20 0 GDADMM CC1(C)C(C(=O)N2CCC[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)C1(C)C ZINC001575620361 950633025 /nfs/dbraw/zinc/63/30/25/950633025.db2.gz XBQUBOXRKJTUEE-LBPRGKRZSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1coc(C(F)F)c1 ZINC001575921334 950637350 /nfs/dbraw/zinc/63/73/50/950637350.db2.gz NKGWVAHWSNRRCJ-WPRPVWTQSA-N -1 1 390.354 1.324 20 0 GDADMM CC(C)CCC(=O)N1CCC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)CC[C@@H]21 ZINC001574174633 950638114 /nfs/dbraw/zinc/63/81/14/950638114.db2.gz UKMMINMXBUHEPA-HOCLYGCPSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CCC(=O)N1CCC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)CC[C@@H]21 ZINC001574174633 950638123 /nfs/dbraw/zinc/63/81/23/950638123.db2.gz UKMMINMXBUHEPA-HOCLYGCPSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccnn1C1CCC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574759425 950640368 /nfs/dbraw/zinc/64/03/68/950640368.db2.gz DGBXLECKFJISFT-NSHDSACASA-N -1 1 382.432 1.151 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccnn1C1CCC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574759425 950640380 /nfs/dbraw/zinc/64/03/80/950640380.db2.gz DGBXLECKFJISFT-NSHDSACASA-N -1 1 382.432 1.151 20 0 GDADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(F)cc(F)c1 ZINC001575922401 950644764 /nfs/dbraw/zinc/64/47/64/950644764.db2.gz PILNRHJLGKPYDI-ZANVPECISA-N -1 1 386.366 1.072 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)cs1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575002524 950663872 /nfs/dbraw/zinc/66/38/72/950663872.db2.gz UUFCTRWJLATVLN-QMMMGPOBSA-N -1 1 378.849 1.272 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CC[C@@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573876118 950663956 /nfs/dbraw/zinc/66/39/56/950663956.db2.gz DPWGIDNGAWLXCG-MGPQQGTHSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CC[C@@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573876118 950663968 /nfs/dbraw/zinc/66/39/68/950663968.db2.gz DPWGIDNGAWLXCG-MGPQQGTHSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cccc2c1CCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574760511 950666910 /nfs/dbraw/zinc/66/69/10/950666910.db2.gz WGGZBTGCYSJTGB-LBPRGKRZSA-N -1 1 378.440 1.140 20 0 GDADMM CC1(C)CC(C(=O)N2CCC[C@@H]3[C@H]2CCN3c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575624146 950668447 /nfs/dbraw/zinc/66/84/47/950668447.db2.gz GZGHAMMPJZYPDP-HUUCEWRRSA-N -1 1 382.472 1.663 20 0 GDADMM CC1(C)CC(C(=O)N2CCC[C@@H]3[C@H]2CCN3c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575624146 950668467 /nfs/dbraw/zinc/66/84/67/950668467.db2.gz GZGHAMMPJZYPDP-HUUCEWRRSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cc(F)cc(F)c1 ZINC001575924901 950674974 /nfs/dbraw/zinc/67/49/74/950674974.db2.gz FYUZZBBDRDHQRM-TVQRCGJNSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cc(F)cc(F)c1 ZINC001575924901 950674981 /nfs/dbraw/zinc/67/49/81/950674981.db2.gz FYUZZBBDRDHQRM-TVQRCGJNSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)C1CCC(F)(F)CC1 ZINC001575925994 950698033 /nfs/dbraw/zinc/69/80/33/950698033.db2.gz IJZUDNGUTBALLM-CMPLNLGQSA-N -1 1 392.414 1.884 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)C1CCC(F)(F)CC1 ZINC001575925994 950698042 /nfs/dbraw/zinc/69/80/42/950698042.db2.gz IJZUDNGUTBALLM-CMPLNLGQSA-N -1 1 392.414 1.884 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573878385 950704838 /nfs/dbraw/zinc/70/48/38/950704838.db2.gz OSGTUWNCWQFIGC-BFHYXJOUSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573878385 950704855 /nfs/dbraw/zinc/70/48/55/950704855.db2.gz OSGTUWNCWQFIGC-BFHYXJOUSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001574520031 950706813 /nfs/dbraw/zinc/70/68/13/950706813.db2.gz ZYAUEGLZRPNNQT-JHJVBQTASA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001574520031 950706824 /nfs/dbraw/zinc/70/68/24/950706824.db2.gz ZYAUEGLZRPNNQT-JHJVBQTASA-N -1 1 382.428 1.750 20 0 GDADMM CC1(C)[C@H](NC(=O)CCCF)[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)[C@H]21 ZINC001575626374 950708802 /nfs/dbraw/zinc/70/88/02/950708802.db2.gz ZDWXLIQYYVMBNN-IUIKQTSFSA-N -1 1 388.451 1.516 20 0 GDADMM CC1(C)[C@H](NC(=O)CCCF)[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)[C@H]21 ZINC001575626374 950708812 /nfs/dbraw/zinc/70/88/12/950708812.db2.gz ZDWXLIQYYVMBNN-IUIKQTSFSA-N -1 1 388.451 1.516 20 0 GDADMM C[C@@H](CC(=O)Nc1ccc(Oc2ccnc(-c3nnn[n-]3)c2)cc1)NC(N)=O ZINC001574520070 950713278 /nfs/dbraw/zinc/71/32/78/950713278.db2.gz LAYSWCIAULGEEP-JTQLQIEISA-N -1 1 382.384 1.439 20 0 GDADMM C[C@@H](CC(=O)Nc1ccc(Oc2ccnc(-c3nn[n-]n3)c2)cc1)NC(N)=O ZINC001574520070 950713287 /nfs/dbraw/zinc/71/32/87/950713287.db2.gz LAYSWCIAULGEEP-JTQLQIEISA-N -1 1 382.384 1.439 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C2CCCC2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576216347 950734321 /nfs/dbraw/zinc/73/43/21/950734321.db2.gz DJSNSEFMDVASRP-JSGCOSHPSA-N -1 1 384.488 1.554 20 0 GDADMM CC1(C)CC(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C23CCC3)C1 ZINC001575629363 950736032 /nfs/dbraw/zinc/73/60/32/950736032.db2.gz NDPHDVNATVOZAV-KGLIPLIRSA-N -1 1 382.472 1.932 20 0 GDADMM CC1(C)CC(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C23CCC3)C1 ZINC001575629363 950736050 /nfs/dbraw/zinc/73/60/50/950736050.db2.gz NDPHDVNATVOZAV-KGLIPLIRSA-N -1 1 382.472 1.932 20 0 GDADMM CC(C)(C)c1cc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)[nH]n1 ZINC001573880253 950742284 /nfs/dbraw/zinc/74/22/84/950742284.db2.gz VYHWBXQWNNERME-MGCOHNPYSA-N -1 1 382.432 1.050 20 0 GDADMM CC(C)(C)c1cc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)[nH]n1 ZINC001573880253 950742298 /nfs/dbraw/zinc/74/22/98/950742298.db2.gz VYHWBXQWNNERME-MGCOHNPYSA-N -1 1 382.432 1.050 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C(F)F)CC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576216993 950748685 /nfs/dbraw/zinc/74/86/85/950748685.db2.gz FPWVRRXQSPCZTG-VHSXEESVSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C(F)F)CC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576216993 950748701 /nfs/dbraw/zinc/74/87/01/950748701.db2.gz FPWVRRXQSPCZTG-VHSXEESVSA-N -1 1 380.403 1.597 20 0 GDADMM CC(C)(C)c1cccc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001573881259 950748632 /nfs/dbraw/zinc/74/86/32/950748632.db2.gz BPXFAQNEUDPMCY-HNNXBMFYSA-N -1 1 392.467 1.703 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)COc1ccsc1 ZINC001575927713 950750671 /nfs/dbraw/zinc/75/06/71/950750671.db2.gz SNRLLQKVGKDJFG-CMPLNLGQSA-N -1 1 386.441 1.199 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)COc1ccsc1 ZINC001575927713 950750684 /nfs/dbraw/zinc/75/06/84/950750684.db2.gz SNRLLQKVGKDJFG-CMPLNLGQSA-N -1 1 386.441 1.199 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001575927671 950753495 /nfs/dbraw/zinc/75/34/95/950753495.db2.gz RWNNXVBDQWMHKW-QXFSXQSWSA-N -1 1 380.456 1.350 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001575927671 950753515 /nfs/dbraw/zinc/75/35/15/950753515.db2.gz RWNNXVBDQWMHKW-QXFSXQSWSA-N -1 1 380.456 1.350 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C(F)(F)F)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576217404 950759038 /nfs/dbraw/zinc/75/90/38/950759038.db2.gz NLYPSQOLERZOMU-SCZZXKLOSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C(F)(F)F)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576217404 950759050 /nfs/dbraw/zinc/75/90/50/950759050.db2.gz NLYPSQOLERZOMU-SCZZXKLOSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C(F)(F)F)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576217402 950760040 /nfs/dbraw/zinc/76/00/40/950760040.db2.gz NLYPSQOLERZOMU-PSASIEDQSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C(F)(F)F)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576217402 950760060 /nfs/dbraw/zinc/76/00/60/950760060.db2.gz NLYPSQOLERZOMU-PSASIEDQSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@H](CN(C)C(=O)c1cnns1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574764748 950760563 /nfs/dbraw/zinc/76/05/63/950760563.db2.gz XSHZHSQEUDXWCG-RXMQYKEDSA-N -1 1 385.866 1.401 20 0 GDADMM C[C@H](CN(C)C(=O)c1cnns1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574764748 950760573 /nfs/dbraw/zinc/76/05/73/950760573.db2.gz XSHZHSQEUDXWCG-RXMQYKEDSA-N -1 1 385.866 1.401 20 0 GDADMM CC(C)n1cnc(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@@H]2C)c1 ZINC001575928038 950767347 /nfs/dbraw/zinc/76/73/47/950767347.db2.gz XXYCSJQEEKFDPI-NWDGAFQWSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1cnc(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@@H]2C)c1 ZINC001575928038 950767362 /nfs/dbraw/zinc/76/73/62/950767362.db2.gz XXYCSJQEEKFDPI-NWDGAFQWSA-N -1 1 382.432 1.149 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C2CCC2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576217685 950770061 /nfs/dbraw/zinc/77/00/61/950770061.db2.gz IPBIGEMESBSTBP-STQMWFEESA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C2CCC2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576217685 950770076 /nfs/dbraw/zinc/77/00/76/950770076.db2.gz IPBIGEMESBSTBP-STQMWFEESA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)(C)c1nnc(CNC(=O)NCc2nc(-c3nnn[n-]3)cs2)s1 ZINC001573884645 950799360 /nfs/dbraw/zinc/79/93/60/950799360.db2.gz HHLYYNWVZNOPSO-UHFFFAOYSA-N -1 1 379.475 1.472 20 0 GDADMM CC(C)(C)c1nnc(CNC(=O)NCc2nc(-c3nn[n-]n3)cs2)s1 ZINC001573884645 950799373 /nfs/dbraw/zinc/79/93/73/950799373.db2.gz HHLYYNWVZNOPSO-UHFFFAOYSA-N -1 1 379.475 1.472 20 0 GDADMM CC(C)(C)c1nc[nH]c1C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573885045 950812078 /nfs/dbraw/zinc/81/20/78/950812078.db2.gz NHOUCHHXPLRAMW-UHFFFAOYSA-N -1 1 382.432 1.052 20 0 GDADMM CC(C)(C)c1nc[nH]c1C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573885045 950812099 /nfs/dbraw/zinc/81/20/99/950812099.db2.gz NHOUCHHXPLRAMW-UHFFFAOYSA-N -1 1 382.432 1.052 20 0 GDADMM CC(C)n1nccc1C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)[C@H]1C ZINC001575932243 950821687 /nfs/dbraw/zinc/82/16/87/950821687.db2.gz LAUFZKOFJMSBJS-VXGBXAGGSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1nccc1C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)[C@H]1C ZINC001575932243 950821709 /nfs/dbraw/zinc/82/17/09/950821709.db2.gz LAUFZKOFJMSBJS-VXGBXAGGSA-N -1 1 382.432 1.149 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cncc(Cl)c1 ZINC001575932288 950830830 /nfs/dbraw/zinc/83/08/30/950830830.db2.gz LOMQZEADJOVCKT-BXKDBHETSA-N -1 1 385.819 1.420 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cncc(Cl)c1 ZINC001575932288 950830860 /nfs/dbraw/zinc/83/08/60/950830860.db2.gz LOMQZEADJOVCKT-BXKDBHETSA-N -1 1 385.819 1.420 20 0 GDADMM CC(C)(C)c1n[nH]cc1C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573885567 950834386 /nfs/dbraw/zinc/83/43/86/950834386.db2.gz ZQFRGDGIUWYZMK-JTQLQIEISA-N -1 1 382.432 1.004 20 0 GDADMM CC(C)(C)c1n[nH]cc1C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573885567 950834410 /nfs/dbraw/zinc/83/44/10/950834410.db2.gz ZQFRGDGIUWYZMK-JTQLQIEISA-N -1 1 382.432 1.004 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)c2ccccc2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576221194 950845860 /nfs/dbraw/zinc/84/58/60/950845860.db2.gz USGRMTLYBOAPTE-CZUORRHYSA-N -1 1 392.467 1.893 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)c2ccccc2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576221194 950845881 /nfs/dbraw/zinc/84/58/81/950845881.db2.gz USGRMTLYBOAPTE-CZUORRHYSA-N -1 1 392.467 1.893 20 0 GDADMM CC1(C)CC(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575638979 950854790 /nfs/dbraw/zinc/85/47/90/950854790.db2.gz LCGBBMLEUHYGKL-RDBSUJKOSA-N -1 1 382.472 1.709 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)C(C)(C)C2(C)C)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576221731 950857120 /nfs/dbraw/zinc/85/71/20/950857120.db2.gz WMPMKEUBPABFGZ-NEPJUHHUSA-N -1 1 384.488 1.410 20 0 GDADMM CC1(C)C[C@H](NC(=O)c2cocn2)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575639912 950882261 /nfs/dbraw/zinc/88/22/61/950882261.db2.gz DFYNGQLWSCWKBB-LLVKDONJSA-N -1 1 383.416 1.070 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)CC(C)(C)C1 ZINC001575640008 950886514 /nfs/dbraw/zinc/88/65/14/950886514.db2.gz WDZKCXSGEYLYJF-QWHCGFSZSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)CC(C)(C)C1 ZINC001575640008 950886535 /nfs/dbraw/zinc/88/65/35/950886535.db2.gz WDZKCXSGEYLYJF-QWHCGFSZSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C[C@@H](NC(=O)CC2CCC2)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575640837 950907551 /nfs/dbraw/zinc/90/75/51/950907551.db2.gz LJOJTCIQVMHOPJ-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)C[C@@H](NC(=O)CC2CCC2)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575640837 950907572 /nfs/dbraw/zinc/90/75/72/950907572.db2.gz LJOJTCIQVMHOPJ-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(CC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)CC(F)F ZINC001573893849 950908465 /nfs/dbraw/zinc/90/84/65/950908465.db2.gz ZJSCXGKVVJFDPC-SNVBAGLBSA-N -1 1 380.403 1.163 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccnc(C2CC2)n1 ZINC001575936241 950910753 /nfs/dbraw/zinc/91/07/53/950910753.db2.gz DHACIHQRNHVJNL-CMPLNLGQSA-N -1 1 392.427 1.039 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccnc(C2CC2)n1 ZINC001575936241 950910774 /nfs/dbraw/zinc/91/07/74/950910774.db2.gz DHACIHQRNHVJNL-CMPLNLGQSA-N -1 1 392.427 1.039 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCCC(F)(F)F ZINC001575936709 950923071 /nfs/dbraw/zinc/92/30/71/950923071.db2.gz HSRICMCZPVAHHC-ZJUUUORDSA-N -1 1 384.366 1.791 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N1CCC[C@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001575641610 950922948 /nfs/dbraw/zinc/92/29/48/950922948.db2.gz CKLIQTPQFCVWBF-BFUOFWGJSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N1CCC[C@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001575641610 950922961 /nfs/dbraw/zinc/92/29/61/950922961.db2.gz CKLIQTPQFCVWBF-BFUOFWGJSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCCC(F)(F)F ZINC001575936709 950923089 /nfs/dbraw/zinc/92/30/89/950923089.db2.gz HSRICMCZPVAHHC-ZJUUUORDSA-N -1 1 384.366 1.791 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCCC(F)(F)F ZINC001575936708 950924008 /nfs/dbraw/zinc/92/40/08/950924008.db2.gz HSRICMCZPVAHHC-VHSXEESVSA-N -1 1 384.366 1.791 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCCC(F)(F)F ZINC001575936708 950924025 /nfs/dbraw/zinc/92/40/25/950924025.db2.gz HSRICMCZPVAHHC-VHSXEESVSA-N -1 1 384.366 1.791 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cccc2c1OCC2 ZINC001575936769 950927990 /nfs/dbraw/zinc/92/79/90/950927990.db2.gz IBRBZJBYVYJMKW-FZMZJTMJSA-N -1 1 392.423 1.307 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cccc2c1OCC2 ZINC001575936769 950928005 /nfs/dbraw/zinc/92/80/05/950928005.db2.gz IBRBZJBYVYJMKW-FZMZJTMJSA-N -1 1 392.423 1.307 20 0 GDADMM CC(C)n1nccc1C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)[C@H]1C ZINC001575936812 950928985 /nfs/dbraw/zinc/92/89/85/950928985.db2.gz INYGHZTZBVNTIR-NEPJUHHUSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1nccc1C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)[C@H]1C ZINC001575936812 950928996 /nfs/dbraw/zinc/92/89/96/950928996.db2.gz INYGHZTZBVNTIR-NEPJUHHUSA-N -1 1 382.432 1.149 20 0 GDADMM C[C@@H]1C[C@H](C(=O)N(C)CC(C)(C)CNc2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC001575936859 950929982 /nfs/dbraw/zinc/92/99/82/950929982.db2.gz AFAGWSVLBRAGPJ-CHWSQXEVSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@@H]1C[C@H](C(=O)N(C)CC(C)(C)CNc2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC001575936859 950930000 /nfs/dbraw/zinc/93/00/00/950930000.db2.gz AFAGWSVLBRAGPJ-CHWSQXEVSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@@H]1C[C@@H](C(=O)N(C)CC(C)(C)CNc2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC001575936861 950933635 /nfs/dbraw/zinc/93/36/35/950933635.db2.gz AFAGWSVLBRAGPJ-OLZOCXBDSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@@H]1C[C@@H](C(=O)N(C)CC(C)(C)CNc2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC001575936861 950933654 /nfs/dbraw/zinc/93/36/54/950933654.db2.gz AFAGWSVLBRAGPJ-OLZOCXBDSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001573895435 950936010 /nfs/dbraw/zinc/93/60/10/950936010.db2.gz AYPNKKDBGHPHPH-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573895435 950936028 /nfs/dbraw/zinc/93/60/28/950936028.db2.gz AYPNKKDBGHPHPH-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM CC1(C)C[C@H](NC(=O)c2cocn2)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575642569 950944890 /nfs/dbraw/zinc/94/48/90/950944890.db2.gz VWPGLYSJEMSZPR-LLVKDONJSA-N -1 1 383.416 1.070 20 0 GDADMM CC1(C)C[C@H](NC(=O)c2cocn2)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575642569 950944899 /nfs/dbraw/zinc/94/48/99/950944899.db2.gz VWPGLYSJEMSZPR-LLVKDONJSA-N -1 1 383.416 1.070 20 0 GDADMM CC(C)(CC(=O)N[C@H]1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573896115 950945732 /nfs/dbraw/zinc/94/57/32/950945732.db2.gz GDXJUWJDNUOIOF-JSGCOSHPSA-N -1 1 384.488 1.602 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N1CC[C@]2(C1)CCCN(c1nccnc1-c1nnn[n-]1)C2 ZINC001575642459 950946964 /nfs/dbraw/zinc/94/69/64/950946964.db2.gz HEUNOBJHSPFITL-BFUOFWGJSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N1CC[C@]2(C1)CCCN(c1nccnc1-c1nn[n-]n1)C2 ZINC001575642459 950946982 /nfs/dbraw/zinc/94/69/82/950946982.db2.gz HEUNOBJHSPFITL-BFUOFWGJSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)CCOCC2)CC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576228586 950948504 /nfs/dbraw/zinc/94/85/04/950948504.db2.gz HTGVVWDANOAUGS-QWHCGFSZSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)CCOCC2)CC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576228586 950948527 /nfs/dbraw/zinc/94/85/27/950948527.db2.gz HTGVVWDANOAUGS-QWHCGFSZSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)CCOCC2)CC[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576228588 950949226 /nfs/dbraw/zinc/94/92/26/950949226.db2.gz HTGVVWDANOAUGS-STQMWFEESA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)CCOCC2)CC[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576228588 950949246 /nfs/dbraw/zinc/94/92/46/950949246.db2.gz HTGVVWDANOAUGS-STQMWFEESA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H]1C[C@H](C(=O)N(C)CC(C)(C)CNc2nccnc2-c2nnn[n-]2)CCO1 ZINC001575937528 950951804 /nfs/dbraw/zinc/95/18/04/950951804.db2.gz FPCQNLXNFKGUCP-QWHCGFSZSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@H]1C[C@H](C(=O)N(C)CC(C)(C)CNc2nccnc2-c2nn[n-]n2)CCO1 ZINC001575937528 950951819 /nfs/dbraw/zinc/95/18/19/950951819.db2.gz FPCQNLXNFKGUCP-QWHCGFSZSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@@H]1CN(C(=O)C2(F)CCCC2)CC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576229068 950960528 /nfs/dbraw/zinc/96/05/28/950960528.db2.gz IQNFJBPEFFWSRL-OLZOCXBDSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@@H]1CN(C(=O)C2(F)CCCC2)CC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576229068 950960543 /nfs/dbraw/zinc/96/05/43/950960543.db2.gz IQNFJBPEFFWSRL-OLZOCXBDSA-N -1 1 388.451 1.836 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N1CCC[C@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001575643350 950971155 /nfs/dbraw/zinc/97/11/55/950971155.db2.gz LLSYJXDQEMIPNA-BFUOFWGJSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N1CCC[C@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001575643350 950971162 /nfs/dbraw/zinc/97/11/62/950971162.db2.gz LLSYJXDQEMIPNA-BFUOFWGJSA-N -1 1 382.472 1.522 20 0 GDADMM CC(C)(CC(=O)N1CCO[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)C1CC1 ZINC001573898329 950974449 /nfs/dbraw/zinc/97/44/49/950974449.db2.gz ZHLWYQXFRVSRIV-ZDUSSCGKSA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)(CC(=O)N1CCO[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)C1CC1 ZINC001573898329 950974465 /nfs/dbraw/zinc/97/44/65/950974465.db2.gz ZHLWYQXFRVSRIV-ZDUSSCGKSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)CC(F)(F)C2)CC[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576229522 950974879 /nfs/dbraw/zinc/97/48/79/950974879.db2.gz KBYQRGDYVMPGKM-QWRGUYRKSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)CC(F)(F)C2)CC[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576229522 950974889 /nfs/dbraw/zinc/97/48/89/950974889.db2.gz KBYQRGDYVMPGKM-QWRGUYRKSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@H]1CN(C(=O)C2(C3CCC3)CCC2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576229539 950974950 /nfs/dbraw/zinc/97/49/50/950974950.db2.gz KDQBHAHKRJHTMH-WFASDCNBSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@H]1CN(C(=O)C2(C3CCC3)CCC2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576229539 950974959 /nfs/dbraw/zinc/97/49/59/950974959.db2.gz KDQBHAHKRJHTMH-WFASDCNBSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N1CCC2(C1)CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001575644510 950990329 /nfs/dbraw/zinc/99/03/29/950990329.db2.gz UXJBQWZVNOCZPD-CYBMUJFWSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N1CCC2(C1)CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001575644510 950990347 /nfs/dbraw/zinc/99/03/47/950990347.db2.gz UXJBQWZVNOCZPD-CYBMUJFWSA-N -1 1 382.472 1.522 20 0 GDADMM CC(C)c1ccc(C(=O)NC[C@@H](C)CNc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001575017428 950995907 /nfs/dbraw/zinc/99/59/07/950995907.db2.gz FXAQEMBMGOCJAS-ZDUSSCGKSA-N -1 1 380.456 1.680 20 0 GDADMM C[C@@H]1CN(C(=O)C2(c3ccccn3)CC2)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576230328 950998364 /nfs/dbraw/zinc/99/83/64/950998364.db2.gz BIHFYFCBWGDZOM-OCCSQVGLSA-N -1 1 391.439 1.042 20 0 GDADMM C[C@@H]1CN(C(=O)C2(c3ccccn3)CC2)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576230328 950998375 /nfs/dbraw/zinc/99/83/75/950998375.db2.gz BIHFYFCBWGDZOM-OCCSQVGLSA-N -1 1 391.439 1.042 20 0 GDADMM C[C@H]1CN(C(=O)C2(CCF)CC2)CC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576230481 951008530 /nfs/dbraw/zinc/00/85/30/951008530.db2.gz MJGZPQVVBFZKQZ-STQMWFEESA-N -1 1 388.451 1.693 20 0 GDADMM C[C@H]1CN(C(=O)C2(CCF)CC2)CC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576230481 951008549 /nfs/dbraw/zinc/00/85/49/951008549.db2.gz MJGZPQVVBFZKQZ-STQMWFEESA-N -1 1 388.451 1.693 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)F)nc1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575019048 951031308 /nfs/dbraw/zinc/03/13/08/951031308.db2.gz QBCIDQQTJPJHMH-VIFPVBQESA-N -1 1 389.370 1.244 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)F)nc1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575019048 951031324 /nfs/dbraw/zinc/03/13/24/951031324.db2.gz QBCIDQQTJPJHMH-VIFPVBQESA-N -1 1 389.370 1.244 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)cc1F)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575021589 951063316 /nfs/dbraw/zinc/06/33/16/951063316.db2.gz DLGUTFPCAXRKJW-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)cc1F)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575021589 951063325 /nfs/dbraw/zinc/06/33/25/951063325.db2.gz DLGUTFPCAXRKJW-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C2CC2)cc1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575023612 951082399 /nfs/dbraw/zinc/08/23/99/951082399.db2.gz PBVAUGVZOJAPRY-GFCCVEGCSA-N -1 1 378.440 1.434 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(N(C)C)cc1F)Nc1nccnc1-c1nnn[n-]1 ZINC001575024489 951103661 /nfs/dbraw/zinc/10/36/61/951103661.db2.gz FPOCMVFPHJNVGS-JTQLQIEISA-N -1 1 385.407 1.092 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(N(C)C)cc1F)Nc1nccnc1-c1nn[n-]n1 ZINC001575024489 951103677 /nfs/dbraw/zinc/10/36/77/951103677.db2.gz FPOCMVFPHJNVGS-JTQLQIEISA-N -1 1 385.407 1.092 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575024531 951106229 /nfs/dbraw/zinc/10/62/29/951106229.db2.gz GNZUMOPXXULKMO-GFCCVEGCSA-N -1 1 378.440 1.766 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575024531 951106233 /nfs/dbraw/zinc/10/62/33/951106233.db2.gz GNZUMOPXXULKMO-GFCCVEGCSA-N -1 1 378.440 1.766 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCC=C2)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575024868 951117302 /nfs/dbraw/zinc/11/73/02/951117302.db2.gz ONYMPLVEXDJAOH-ZDUSSCGKSA-N -1 1 390.451 1.516 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2ncccc2c1)Nc1nccnc1-c1nnn[n-]1 ZINC001575028067 951167584 /nfs/dbraw/zinc/16/75/84/951167584.db2.gz UEXAKFMISRZACN-NSHDSACASA-N -1 1 375.396 1.435 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2ncccc2c1)Nc1nccnc1-c1nn[n-]n1 ZINC001575028067 951167591 /nfs/dbraw/zinc/16/75/91/951167591.db2.gz UEXAKFMISRZACN-NSHDSACASA-N -1 1 375.396 1.435 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2c1O[C@H](C)C2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575030164 951193835 /nfs/dbraw/zinc/19/38/35/951193835.db2.gz ZXWDEFSYMLLEGL-WDEREUQCSA-N -1 1 380.412 1.211 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2c1O[C@H](C)C2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575030164 951193845 /nfs/dbraw/zinc/19/38/45/951193845.db2.gz ZXWDEFSYMLLEGL-WDEREUQCSA-N -1 1 380.412 1.211 20 0 GDADMM C[C@@H](CNC(=O)c1cccnc1C(F)F)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575032116 951216501 /nfs/dbraw/zinc/21/65/01/951216501.db2.gz QZBMSEIYVNQCHM-VIFPVBQESA-N -1 1 389.370 1.244 20 0 GDADMM C[C@@H](CNC(=O)c1cccnc1C(F)F)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575032116 951216512 /nfs/dbraw/zinc/21/65/12/951216512.db2.gz QZBMSEIYVNQCHM-VIFPVBQESA-N -1 1 389.370 1.244 20 0 GDADMM C[C@H](CNC(=O)c1ccncn1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575034318 951243744 /nfs/dbraw/zinc/24/37/44/951243744.db2.gz MELWAFLDCCZFEB-SSDOTTSWSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@H](CNC(=O)c1ccncn1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575034318 951243750 /nfs/dbraw/zinc/24/37/50/951243750.db2.gz MELWAFLDCCZFEB-SSDOTTSWSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1ccnn1C)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575034417 951247317 /nfs/dbraw/zinc/24/73/17/951247317.db2.gz MZVRAFKOVWUGLE-ZETCQYMHSA-N -1 1 381.853 1.188 20 0 GDADMM C[C@@H](CNC(=O)c1ccnn1C)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575034417 951247334 /nfs/dbraw/zinc/24/73/34/951247334.db2.gz MZVRAFKOVWUGLE-ZETCQYMHSA-N -1 1 381.853 1.188 20 0 GDADMM C[C@H](CNC(=O)c1ccncn1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575034652 951253049 /nfs/dbraw/zinc/25/30/49/951253049.db2.gz PIEUXRBIQXAWKE-SSDOTTSWSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1ccnn1C1CCC1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575035634 951280391 /nfs/dbraw/zinc/28/03/91/951280391.db2.gz ZQXAGDXCQXOVBB-LLVKDONJSA-N -1 1 382.432 1.056 20 0 GDADMM C[C@@H](CNC(=O)c1ccnn1C1CCC1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575035634 951280404 /nfs/dbraw/zinc/28/04/04/951280404.db2.gz ZQXAGDXCQXOVBB-LLVKDONJSA-N -1 1 382.432 1.056 20 0 GDADMM C[C@@H](CNC(=O)c1ccnc(C2CC2)c1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575036485 951294322 /nfs/dbraw/zinc/29/43/22/951294322.db2.gz SWFLSTROASIYRP-NSHDSACASA-N -1 1 379.428 1.184 20 0 GDADMM C[C@@H](CNC(=O)c1ccnc(C2CC2)c1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575036485 951294332 /nfs/dbraw/zinc/29/43/32/951294332.db2.gz SWFLSTROASIYRP-NSHDSACASA-N -1 1 379.428 1.184 20 0 GDADMM C[C@H](CNC(=O)c1ccn(-c2ccccc2)n1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575036494 951295412 /nfs/dbraw/zinc/29/54/12/951295412.db2.gz SZCSDWAKQKTZOS-GFCCVEGCSA-N -1 1 390.411 1.073 20 0 GDADMM C[C@H](CNC(=O)c1ccn(-c2ccccc2)n1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575036494 951295422 /nfs/dbraw/zinc/29/54/22/951295422.db2.gz SZCSDWAKQKTZOS-GFCCVEGCSA-N -1 1 390.411 1.073 20 0 GDADMM C[C@H](CNC(=O)c1ccsc1Cl)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575040055 951334411 /nfs/dbraw/zinc/33/44/11/951334411.db2.gz TVGMRQTUKRAPGI-QMMMGPOBSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@H](CNC(=O)c1ccsc1Cl)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575040055 951334427 /nfs/dbraw/zinc/33/44/27/951334427.db2.gz TVGMRQTUKRAPGI-QMMMGPOBSA-N -1 1 378.849 1.850 20 0 GDADMM CCOc1ccccc1-c1cc(C(=O)N2CCO[C@](COC)(C(=O)[O-])C2)n[nH]1 ZINC001592993362 951380763 /nfs/dbraw/zinc/38/07/63/951380763.db2.gz KWQWQMXPDUEXLZ-LJQANCHMSA-N -1 1 389.408 1.418 20 0 GDADMM O=C([O-])CCCCC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC001595035038 951397279 /nfs/dbraw/zinc/39/72/79/951397279.db2.gz RLIBAUCJGOLUBA-UHFFFAOYSA-N -1 1 378.410 1.861 20 0 GDADMM C[C@@H](CNC(=O)c1cnc(C2CC2)s1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575044916 951421034 /nfs/dbraw/zinc/42/10/34/951421034.db2.gz XLRRMFUXNVGJCC-SECBINFHSA-N -1 1 385.457 1.469 20 0 GDADMM C[C@@H](CNC(=O)c1cnc(C2CC2)s1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575044916 951421041 /nfs/dbraw/zinc/42/10/41/951421041.db2.gz XLRRMFUXNVGJCC-SECBINFHSA-N -1 1 385.457 1.469 20 0 GDADMM C[C@H](CNC(=O)c1cncc(F)c1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001575046638 951443608 /nfs/dbraw/zinc/44/36/08/951443608.db2.gz QATJKDRHWBVQIL-ZCFIWIBFSA-N -1 1 382.812 1.741 20 0 GDADMM C[C@H](CNC(=O)c1cncc(F)c1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575046638 951443615 /nfs/dbraw/zinc/44/36/15/951443615.db2.gz QATJKDRHWBVQIL-ZCFIWIBFSA-N -1 1 382.812 1.741 20 0 GDADMM C[C@@H](CNC(=O)c1csc(C2CC2)n1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575056183 951517943 /nfs/dbraw/zinc/51/79/43/951517943.db2.gz GHGIDPKMCGCTII-VIFPVBQESA-N -1 1 385.457 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1csc(C2CC2)n1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575056183 951517949 /nfs/dbraw/zinc/51/79/49/951517949.db2.gz GHGIDPKMCGCTII-VIFPVBQESA-N -1 1 385.457 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1csc(Cl)n1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575058248 951535481 /nfs/dbraw/zinc/53/54/81/951535481.db2.gz VDOQQMNFQFDNEL-SSDOTTSWSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1csc(Cl)n1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575058248 951535490 /nfs/dbraw/zinc/53/54/90/951535490.db2.gz VDOQQMNFQFDNEL-SSDOTTSWSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@H](CNC(=O)c1cscc1C(F)F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575060630 951542706 /nfs/dbraw/zinc/54/27/06/951542706.db2.gz BOBUIEZADHGDQU-SSDOTTSWSA-N -1 1 380.384 1.886 20 0 GDADMM C[C@H](CNC(=O)c1cscc1C(F)F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575060630 951542712 /nfs/dbraw/zinc/54/27/12/951542712.db2.gz BOBUIEZADHGDQU-SSDOTTSWSA-N -1 1 380.384 1.886 20 0 GDADMM C[C@@H](CNC(=O)c1ncc(Cl)s1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575060731 951548271 /nfs/dbraw/zinc/54/82/71/951548271.db2.gz FDDXFGPRVOUGLO-ZETCQYMHSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@@H](CNC(=O)c1ncc(Cl)s1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575060731 951548284 /nfs/dbraw/zinc/54/82/84/951548284.db2.gz FDDXFGPRVOUGLO-ZETCQYMHSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@@H](CNC(=O)c1ncccn1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575065965 951589325 /nfs/dbraw/zinc/58/93/25/951589325.db2.gz CSYWWDDCRCPHEO-ZETCQYMHSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@@H](CNC(=O)c1ncccn1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575065965 951589337 /nfs/dbraw/zinc/58/93/37/951589337.db2.gz CSYWWDDCRCPHEO-ZETCQYMHSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@H](CNC(=O)c1ncccc1[O-])N(C)c1ncc(-c2nn[nH]n2)cc1Cl ZINC001575068316 951633973 /nfs/dbraw/zinc/63/39/73/951633973.db2.gz ZURCJHGZPDCQRO-SECBINFHSA-N -1 1 388.819 1.270 20 0 GDADMM C[C@H](CNC(=O)c1scnc1Cl)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575070142 951649350 /nfs/dbraw/zinc/64/93/50/951649350.db2.gz OBMHYRSTMOTGDQ-ZETCQYMHSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@H](CNC(=O)c1scnc1Cl)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575070142 951649352 /nfs/dbraw/zinc/64/93/52/951649352.db2.gz OBMHYRSTMOTGDQ-ZETCQYMHSA-N -1 1 379.837 1.245 20 0 GDADMM O=C([O-])CN1CCC(NC(=O)c2sccc2S(=O)(=O)C(F)F)CC1 ZINC001595079343 951667450 /nfs/dbraw/zinc/66/74/50/951667450.db2.gz LXWUETWTPQRQHD-UHFFFAOYSA-N -1 1 382.410 1.023 20 0 GDADMM O=C([O-])CN1CCCC[C@@H](NC(=O)c2c(O)cc(Cl)cc2Cl)C1=O ZINC001595092794 951796029 /nfs/dbraw/zinc/79/60/29/951796029.db2.gz CEORDWUFZBKOMM-SNVBAGLBSA-N -1 1 375.208 1.895 20 0 GDADMM C[C@@H](CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)c1ccccn1 ZINC001575118224 951983582 /nfs/dbraw/zinc/98/35/82/951983582.db2.gz RGTTVOPLTJRUHZ-JTQLQIEISA-N -1 1 378.845 1.997 20 0 GDADMM C[C@@H](CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)c1ccccn1 ZINC001575118224 951983587 /nfs/dbraw/zinc/98/35/87/951983587.db2.gz RGTTVOPLTJRUHZ-JTQLQIEISA-N -1 1 378.845 1.997 20 0 GDADMM C[C@H](CNS(=O)(=O)c1ccsc1-c1nn[n-]n1)Oc1ccccc1F ZINC001575118854 951985398 /nfs/dbraw/zinc/98/53/98/951985398.db2.gz UNLCEYCWRYHZHW-SECBINFHSA-N -1 1 383.430 1.813 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(CC(=O)NCC(=O)[O-])CC2)CC1 ZINC001602890104 971799403 /nfs/dbraw/zinc/79/94/03/971799403.db2.gz WKGMHDRMEPEQSZ-OAHLLOKOSA-N -1 1 397.516 1.936 20 0 GDADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)[C@@H]1CCCC12CC2)C1CC1 ZINC001575129620 952083708 /nfs/dbraw/zinc/08/37/08/952083708.db2.gz XNNGRAQQNWCQLL-SCLBCKFNSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)[C@@H]1CCCC12CC2)C1CC1 ZINC001575129620 952083719 /nfs/dbraw/zinc/08/37/19/952083719.db2.gz XNNGRAQQNWCQLL-SCLBCKFNSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)[C@H]1CCCC12CC2)C1CC1 ZINC001575129618 952085196 /nfs/dbraw/zinc/08/51/96/952085196.db2.gz XNNGRAQQNWCQLL-ACJLOTCBSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)[C@H]1CCCC12CC2)C1CC1 ZINC001575129618 952085214 /nfs/dbraw/zinc/08/52/14/952085214.db2.gz XNNGRAQQNWCQLL-ACJLOTCBSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001575132916 952099366 /nfs/dbraw/zinc/09/93/66/952099366.db2.gz IJEWSZKUBZDEBR-VHDGCEQUSA-N -1 1 378.440 1.719 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001575132916 952099375 /nfs/dbraw/zinc/09/93/75/952099375.db2.gz IJEWSZKUBZDEBR-VHDGCEQUSA-N -1 1 378.440 1.719 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)C1(C(F)F)CCCC1 ZINC001575134682 952112342 /nfs/dbraw/zinc/11/23/42/952112342.db2.gz OIAHOMBPDXNLBV-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)C1(C(F)F)CCCC1 ZINC001575134682 952112348 /nfs/dbraw/zinc/11/23/48/952112348.db2.gz OIAHOMBPDXNLBV-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)C1Cc2ccccc2C1 ZINC001575136260 952122700 /nfs/dbraw/zinc/12/27/00/952122700.db2.gz UFIHNJXUYKBPLB-GFCCVEGCSA-N -1 1 378.440 1.331 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)C1Cc2ccccc2C1 ZINC001575136260 952122703 /nfs/dbraw/zinc/12/27/03/952122703.db2.gz UFIHNJXUYKBPLB-GFCCVEGCSA-N -1 1 378.440 1.331 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1c(F)cc(F)cc1F ZINC001575145165 952177983 /nfs/dbraw/zinc/17/79/83/952177983.db2.gz RPJGRYBIKCXCQK-MRVPVSSYSA-N -1 1 392.345 1.069 20 0 GDADMM O=C([O-])[C@@H](Cc1ccccc1)NCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC001595158974 952185837 /nfs/dbraw/zinc/18/58/37/952185837.db2.gz FTSXLGWPAGCLNL-LJQANCHMSA-N -1 1 385.439 1.760 20 0 GDADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)C[C@@H]1CCCCO1)C1CC1 ZINC001575147802 952200915 /nfs/dbraw/zinc/20/09/15/952200915.db2.gz WEEMQZBFAIWQPB-SCLBCKFNSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)C[C@@H]1CCCCO1)C1CC1 ZINC001575147802 952200921 /nfs/dbraw/zinc/20/09/21/952200921.db2.gz WEEMQZBFAIWQPB-SCLBCKFNSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)Cc1ccccc1Cl ZINC001575152969 952205343 /nfs/dbraw/zinc/20/53/43/952205343.db2.gz BMTXMEFTQRGHAB-LLVKDONJSA-N -1 1 386.847 1.812 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)Cc1ccccc1Cl ZINC001575152969 952205348 /nfs/dbraw/zinc/20/53/48/952205348.db2.gz BMTXMEFTQRGHAB-LLVKDONJSA-N -1 1 386.847 1.812 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)CCCc1ccccc1 ZINC001575154186 952217705 /nfs/dbraw/zinc/21/77/05/952217705.db2.gz PVIBVJFVFPACCN-CQSZACIVSA-N -1 1 380.456 1.938 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)CCCc1ccccc1 ZINC001575154186 952217710 /nfs/dbraw/zinc/21/77/10/952217710.db2.gz PVIBVJFVFPACCN-CQSZACIVSA-N -1 1 380.456 1.938 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ncc(Cl)s1 ZINC001575155632 952242652 /nfs/dbraw/zinc/24/26/52/952242652.db2.gz OTRCSYGJJNCUCZ-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ncc(Cl)s1 ZINC001575155632 952242657 /nfs/dbraw/zinc/24/26/57/952242657.db2.gz OTRCSYGJJNCUCZ-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cccc(N(C)C)c1 ZINC001575155790 952243060 /nfs/dbraw/zinc/24/30/60/952243060.db2.gz AIASAEHEYQYCDX-GFCCVEGCSA-N -1 1 381.444 1.295 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cccc(N(C)C)c1 ZINC001575155790 952243066 /nfs/dbraw/zinc/24/30/66/952243066.db2.gz AIASAEHEYQYCDX-GFCCVEGCSA-N -1 1 381.444 1.295 20 0 GDADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)C1CC1 ZINC001575155650 952243536 /nfs/dbraw/zinc/24/35/36/952243536.db2.gz OXUCKXXYXRYXOA-IECZYAKXSA-N -1 1 382.472 1.790 20 0 GDADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)C1CC1 ZINC001575155650 952243538 /nfs/dbraw/zinc/24/35/38/952243538.db2.gz OXUCKXXYXRYXOA-IECZYAKXSA-N -1 1 382.472 1.790 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)C1(c2cccnc2)CC1 ZINC001575155710 952244078 /nfs/dbraw/zinc/24/40/78/952244078.db2.gz OYELLHIQKBIWBY-GFCCVEGCSA-N -1 1 379.428 1.042 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)C1(c2cccnc2)CC1 ZINC001575155710 952244085 /nfs/dbraw/zinc/24/40/85/952244085.db2.gz OYELLHIQKBIWBY-GFCCVEGCSA-N -1 1 379.428 1.042 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001575156632 952255132 /nfs/dbraw/zinc/25/51/32/952255132.db2.gz HARHAHAVZITIDC-IINYFYTJSA-N -1 1 382.403 1.395 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001575156632 952255137 /nfs/dbraw/zinc/25/51/37/952255137.db2.gz HARHAHAVZITIDC-IINYFYTJSA-N -1 1 382.403 1.395 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1ncoc1C(C)(C)C ZINC001575156608 952255589 /nfs/dbraw/zinc/25/55/89/952255589.db2.gz GNZIDUXXZNNPPD-SNVBAGLBSA-N -1 1 385.432 1.515 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1ncoc1C(C)(C)C ZINC001575156608 952255597 /nfs/dbraw/zinc/25/55/97/952255597.db2.gz GNZIDUXXZNNPPD-SNVBAGLBSA-N -1 1 385.432 1.515 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CC1(C(F)(F)F)CC1 ZINC001575157953 952268048 /nfs/dbraw/zinc/26/80/48/952268048.db2.gz QKIQVTWDZFQDBJ-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CC1(C(F)(F)F)CC1 ZINC001575157953 952268054 /nfs/dbraw/zinc/26/80/54/952268054.db2.gz QKIQVTWDZFQDBJ-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001575158922 952274335 /nfs/dbraw/zinc/27/43/35/952274335.db2.gz XKCODIFJVRZBCH-AEGPPILISA-N -1 1 378.440 1.719 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001575158922 952274344 /nfs/dbraw/zinc/27/43/44/952274344.db2.gz XKCODIFJVRZBCH-AEGPPILISA-N -1 1 378.440 1.719 20 0 GDADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)c1ccncc1 ZINC001575164224 952288349 /nfs/dbraw/zinc/28/83/49/952288349.db2.gz CBCNBSNDHJJMAU-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)C1CCOCC1 ZINC001575165133 952303915 /nfs/dbraw/zinc/30/39/15/952303915.db2.gz LSIDXXBTHCNPNI-QMMMGPOBSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)C1CCOCC1 ZINC001575165133 952303921 /nfs/dbraw/zinc/30/39/21/952303921.db2.gz LSIDXXBTHCNPNI-QMMMGPOBSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)CC1CC(F)(F)C1)C1CC1 ZINC001575174202 952368455 /nfs/dbraw/zinc/36/84/55/952368455.db2.gz JIEASFFPPFNYHS-INIZCTEOSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)CC1CC(F)(F)C1)C1CC1 ZINC001575174202 952368466 /nfs/dbraw/zinc/36/84/66/952368466.db2.gz JIEASFFPPFNYHS-INIZCTEOSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)CC1CCOCC1)C1CC1 ZINC001575174372 952372044 /nfs/dbraw/zinc/37/20/44/952372044.db2.gz NHFZDHRQUSNVCK-GOSISDBHSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)CC1CCOCC1)C1CC1 ZINC001575174372 952372052 /nfs/dbraw/zinc/37/20/52/952372052.db2.gz NHFZDHRQUSNVCK-GOSISDBHSA-N -1 1 386.460 1.170 20 0 GDADMM CC(C)(C)OC(=O)NC1CCN(CCNC(=O)NCCCCC(=O)[O-])CC1 ZINC001602902791 971827656 /nfs/dbraw/zinc/82/76/56/971827656.db2.gz HIOLOXINRIKECC-UHFFFAOYSA-N -1 1 386.493 1.530 20 0 GDADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)COC1CCCC1)C1CC1 ZINC001575174741 952378828 /nfs/dbraw/zinc/37/88/28/952378828.db2.gz RZOKYIXNBJKLDZ-SFHVURJKSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)COC1CCCC1)C1CC1 ZINC001575174741 952378833 /nfs/dbraw/zinc/37/88/33/952378833.db2.gz RZOKYIXNBJKLDZ-SFHVURJKSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@H](F)Cc1ccccc1 ZINC001575175136 952381662 /nfs/dbraw/zinc/38/16/62/952381662.db2.gz VBTFYPYYEDKMIG-TZMCWYRMSA-N -1 1 384.419 1.496 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@H](F)Cc1ccccc1 ZINC001575175136 952381665 /nfs/dbraw/zinc/38/16/65/952381665.db2.gz VBTFYPYYEDKMIG-TZMCWYRMSA-N -1 1 384.419 1.496 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ccc2c(c1)CCO2 ZINC001575176958 952395335 /nfs/dbraw/zinc/39/53/35/952395335.db2.gz FTUWOSAQUVFKCO-LLVKDONJSA-N -1 1 380.412 1.164 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ccc2c(c1)CCO2 ZINC001575176958 952395339 /nfs/dbraw/zinc/39/53/39/952395339.db2.gz FTUWOSAQUVFKCO-LLVKDONJSA-N -1 1 380.412 1.164 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)Cc1ccc2c(c1)CCC2 ZINC001575177601 952402392 /nfs/dbraw/zinc/40/23/92/952402392.db2.gz IKNRYCUTNAVVSV-CYBMUJFWSA-N -1 1 392.467 1.647 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)Cc1ccc2c(c1)CCC2 ZINC001575177601 952402396 /nfs/dbraw/zinc/40/23/96/952402396.db2.gz IKNRYCUTNAVVSV-CYBMUJFWSA-N -1 1 392.467 1.647 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001575178803 952409410 /nfs/dbraw/zinc/40/94/10/952409410.db2.gz NKAAOAZWNQPLEI-WCFLWFBJSA-N -1 1 384.469 1.781 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001575178803 952409413 /nfs/dbraw/zinc/40/94/13/952409413.db2.gz NKAAOAZWNQPLEI-WCFLWFBJSA-N -1 1 384.469 1.781 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)Cc1ccc(Cl)cc1 ZINC001575179506 952411330 /nfs/dbraw/zinc/41/13/30/952411330.db2.gz PTJSFSLYHMUWMD-LLVKDONJSA-N -1 1 386.847 1.812 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)Cc1ccc(Cl)cc1 ZINC001575179506 952411335 /nfs/dbraw/zinc/41/13/35/952411335.db2.gz PTJSFSLYHMUWMD-LLVKDONJSA-N -1 1 386.847 1.812 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575187206 952439209 /nfs/dbraw/zinc/43/92/09/952439209.db2.gz ARWGFNRBWCXENP-CHWSQXEVSA-N -1 1 382.428 1.166 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575187206 952439212 /nfs/dbraw/zinc/43/92/12/952439212.db2.gz ARWGFNRBWCXENP-CHWSQXEVSA-N -1 1 382.428 1.166 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N(C)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575188603 952450064 /nfs/dbraw/zinc/45/00/64/952450064.db2.gz JYTATIMBZLMQMB-QWHCGFSZSA-N -1 1 382.428 1.166 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N(C)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575188603 952450067 /nfs/dbraw/zinc/45/00/67/952450067.db2.gz JYTATIMBZLMQMB-QWHCGFSZSA-N -1 1 382.428 1.166 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N(C)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575188605 952450637 /nfs/dbraw/zinc/45/06/37/952450637.db2.gz JYTATIMBZLMQMB-STQMWFEESA-N -1 1 382.428 1.166 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N(C)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575188605 952450641 /nfs/dbraw/zinc/45/06/41/952450641.db2.gz JYTATIMBZLMQMB-STQMWFEESA-N -1 1 382.428 1.166 20 0 GDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1nn2c(c1Br)CCC2 ZINC001571114301 952452017 /nfs/dbraw/zinc/45/20/17/952452017.db2.gz GFGXINDCBIIMGJ-UHFFFAOYSA-N -1 1 375.190 1.419 20 0 GDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1nn2c(c1Br)CCC2 ZINC001571114301 952452021 /nfs/dbraw/zinc/45/20/21/952452021.db2.gz GFGXINDCBIIMGJ-UHFFFAOYSA-N -1 1 375.190 1.419 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575195869 952472671 /nfs/dbraw/zinc/47/26/71/952472671.db2.gz CKEVQGDCCPXCLE-RWMBFGLXSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575195869 952472678 /nfs/dbraw/zinc/47/26/78/952472678.db2.gz CKEVQGDCCPXCLE-RWMBFGLXSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575196161 952473919 /nfs/dbraw/zinc/47/39/19/952473919.db2.gz DWZIDVDFGIIPLU-CHWSQXEVSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575196161 952473924 /nfs/dbraw/zinc/47/39/24/952473924.db2.gz DWZIDVDFGIIPLU-CHWSQXEVSA-N -1 1 382.428 1.214 20 0 GDADMM CC(C)[C@@H](CNC(=O)[C@@H](C)Cc1ccco1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575196924 952477908 /nfs/dbraw/zinc/47/79/08/952477908.db2.gz LDSQNMFNWIDNMD-SWLSCSKDSA-N -1 1 384.444 1.681 20 0 GDADMM CC(C)[C@@H](CNC(=O)[C@@H](C)Cc1ccco1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575196924 952477912 /nfs/dbraw/zinc/47/79/12/952477912.db2.gz LDSQNMFNWIDNMD-SWLSCSKDSA-N -1 1 384.444 1.681 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001575196850 952478620 /nfs/dbraw/zinc/47/86/20/952478620.db2.gz JTYQWYPPZZGMFM-XHDPSFHLSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001575196850 952478625 /nfs/dbraw/zinc/47/86/25/952478625.db2.gz JTYQWYPPZZGMFM-XHDPSFHLSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001575197286 952482067 /nfs/dbraw/zinc/48/20/67/952482067.db2.gz RRXISDVKNHJEBO-FZMZJTMJSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001575197286 952482069 /nfs/dbraw/zinc/48/20/69/952482069.db2.gz RRXISDVKNHJEBO-FZMZJTMJSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C ZINC001575197377 952483336 /nfs/dbraw/zinc/48/33/36/952483336.db2.gz VFBIEHBPMKGWQY-BZPMIXESSA-N -1 1 382.428 1.212 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C ZINC001575197377 952483343 /nfs/dbraw/zinc/48/33/43/952483343.db2.gz VFBIEHBPMKGWQY-BZPMIXESSA-N -1 1 382.428 1.212 20 0 GDADMM COc1ncc(NC(=O)NCC2([C@H](C)CCO)CCC2)cc1-c1nn[n-]n1 ZINC001571117565 952483430 /nfs/dbraw/zinc/48/34/30/952483430.db2.gz NFZHGZHSVNUYBG-LLVKDONJSA-N -1 1 375.433 1.581 20 0 GDADMM C[C@@H]1C[C@H]1C(=O)NCc1ccc2c(c1)CN(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001571119713 952494580 /nfs/dbraw/zinc/49/45/80/952494580.db2.gz DWNXCHKALIEWQR-IAQYHMDHSA-N -1 1 376.424 1.449 20 0 GDADMM C[C@@H]1C[C@H]1C(=O)NCc1ccc2c(c1)CN(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001571119713 952494585 /nfs/dbraw/zinc/49/45/85/952494585.db2.gz DWNXCHKALIEWQR-IAQYHMDHSA-N -1 1 376.424 1.449 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)c1ccccc1 ZINC001571120165 952499903 /nfs/dbraw/zinc/49/99/03/952499903.db2.gz KGMFXUWZGNRCOD-CVGURMSBSA-N -1 1 376.424 1.011 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)c1ccccc1 ZINC001571120165 952499912 /nfs/dbraw/zinc/49/99/12/952499912.db2.gz KGMFXUWZGNRCOD-CVGURMSBSA-N -1 1 376.424 1.011 20 0 GDADMM O=C(c1cc(Cl)cs1)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571123991 952532025 /nfs/dbraw/zinc/53/20/25/952532025.db2.gz WVUBYHBJKUDQFT-VIFPVBQESA-N -1 1 376.833 1.698 20 0 GDADMM O=C(c1cc(Cl)cs1)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571123991 952532029 /nfs/dbraw/zinc/53/20/29/952532029.db2.gz WVUBYHBJKUDQFT-VIFPVBQESA-N -1 1 376.833 1.698 20 0 GDADMM Cc1nsc(N2CCCN(C(=O)[C@@]3(C)CCOC3)CC2)c1-c1nn[n-]n1 ZINC001571127231 952552980 /nfs/dbraw/zinc/55/29/80/952552980.db2.gz BZEUPXHJQBDJLN-INIZCTEOSA-N -1 1 377.474 1.097 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001575214121 952562992 /nfs/dbraw/zinc/56/29/92/952562992.db2.gz IDTVLQPHORBWSN-RTCCRHLQSA-N -1 1 392.414 1.137 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001575214121 952562998 /nfs/dbraw/zinc/56/29/98/952562998.db2.gz IDTVLQPHORBWSN-RTCCRHLQSA-N -1 1 392.414 1.137 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575214911 952566825 /nfs/dbraw/zinc/56/68/25/952566825.db2.gz PILDQYPIZAHFBY-UHFFFAOYSA-N -1 1 380.403 1.645 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NCC1CC(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575214911 952566829 /nfs/dbraw/zinc/56/68/29/952566829.db2.gz PILDQYPIZAHFBY-UHFFFAOYSA-N -1 1 380.403 1.645 20 0 GDADMM CC1(C)CN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1NC(=O)C1CC(F)(F)C1 ZINC001571130222 952579633 /nfs/dbraw/zinc/57/96/33/952579633.db2.gz QARSZWUJRSXWIC-JTQLQIEISA-N -1 1 378.387 1.033 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC[C@H]2[C@@H](C1)C2(F)F ZINC001571130507 952580407 /nfs/dbraw/zinc/58/04/07/952580407.db2.gz RYJGMZWNXAQFLA-NWDGAFQWSA-N -1 1 378.383 1.630 20 0 GDADMM O=C(N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)[C@H]1CCCC(F)(F)C1 ZINC001571130555 952580948 /nfs/dbraw/zinc/58/09/48/952580948.db2.gz SWZMHKPRQXZZLH-QWRGUYRKSA-N -1 1 378.387 1.177 20 0 GDADMM O=C(N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)[C@H]1CCCC(F)(F)C1 ZINC001571130555 952580950 /nfs/dbraw/zinc/58/09/50/952580950.db2.gz SWZMHKPRQXZZLH-QWRGUYRKSA-N -1 1 378.387 1.177 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2CC(F)(F)C2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001571130762 952582644 /nfs/dbraw/zinc/58/26/44/952582644.db2.gz WXRYJQNSYNDSJJ-MWLCHTKSSA-N -1 1 378.387 1.176 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2CC(F)(F)C2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001571130762 952582647 /nfs/dbraw/zinc/58/26/47/952582647.db2.gz WXRYJQNSYNDSJJ-MWLCHTKSSA-N -1 1 378.387 1.176 20 0 GDADMM CCc1ccccc1C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)[C@H]1C ZINC001571134417 952590591 /nfs/dbraw/zinc/59/05/91/952590591.db2.gz FWLMDADAAFRJLI-IUODEOHRSA-N -1 1 378.440 1.934 20 0 GDADMM CCc1ccccc1C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)[C@H]1C ZINC001571134417 952590595 /nfs/dbraw/zinc/59/05/95/952590595.db2.gz FWLMDADAAFRJLI-IUODEOHRSA-N -1 1 378.440 1.934 20 0 GDADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCN(C(=O)C2C=CC=CC=C2)C1 ZINC001571134592 952593008 /nfs/dbraw/zinc/59/30/08/952593008.db2.gz HMHIAYRSHGWSOK-HNNXBMFYSA-N -1 1 378.440 1.382 20 0 GDADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCN(C(=O)C2C=CC=CC=C2)C1 ZINC001571134592 952593012 /nfs/dbraw/zinc/59/30/12/952593012.db2.gz HMHIAYRSHGWSOK-HNNXBMFYSA-N -1 1 378.440 1.382 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H](CCNc3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571134812 952594661 /nfs/dbraw/zinc/59/46/61/952594661.db2.gz NFWNEBGTRIPQQK-CQSZACIVSA-N -1 1 378.440 1.351 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@@H](C)C2)c1 ZINC001571134807 952595353 /nfs/dbraw/zinc/59/53/53/952595353.db2.gz NDJKRCJKEXOSAI-DZGCQCFKSA-N -1 1 378.440 1.350 20 0 GDADMM Cc1cccc(C(=O)NC[C@H]2CCCCN2c2ccnc(-c3nn[n-]n3)n2)c1 ZINC001571134833 952596189 /nfs/dbraw/zinc/59/61/89/952596189.db2.gz OCOGZJZRCOUWCD-OAHLLOKOSA-N -1 1 378.440 1.754 20 0 GDADMM Cc1ccc(C(=O)N2CCC(Nc3cnc(-c4nnn[n-]4)cn3)CC2)cc1C ZINC001571135038 952598313 /nfs/dbraw/zinc/59/83/13/952598313.db2.gz QMRMNXDAARSNET-UHFFFAOYSA-N -1 1 378.440 1.990 20 0 GDADMM Cc1ccc(C(=O)N2CCC(Nc3cnc(-c4nn[n-]n4)cn3)CC2)cc1C ZINC001571135038 952598318 /nfs/dbraw/zinc/59/83/18/952598318.db2.gz QMRMNXDAARSNET-UHFFFAOYSA-N -1 1 378.440 1.990 20 0 GDADMM Cc1ccc(C(=O)N2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C(C)(C)C2)cc1 ZINC001571135200 952600689 /nfs/dbraw/zinc/60/06/89/952600689.db2.gz SYFITXOFQNZGIO-OAHLLOKOSA-N -1 1 378.440 1.928 20 0 GDADMM Cc1ccc(C(=O)N2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C(C)(C)C2)cc1 ZINC001571135200 952600694 /nfs/dbraw/zinc/60/06/94/952600694.db2.gz SYFITXOFQNZGIO-OAHLLOKOSA-N -1 1 378.440 1.928 20 0 GDADMM Cc1c[nH]cc1C(=O)N[C@H]1C[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571141934 952636876 /nfs/dbraw/zinc/63/68/76/952636876.db2.gz KYKVSUHLHFNBAD-ZKCHVHJHSA-N -1 1 378.849 1.986 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](CNC(=O)c3cccnc3)C2)n1 ZINC001571146728 952652172 /nfs/dbraw/zinc/65/21/72/952652172.db2.gz BAKNFVFWHKAGQG-CYBMUJFWSA-N -1 1 379.428 1.007 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](CNC(=O)c3cccnc3)C2)n1 ZINC001571146728 952652176 /nfs/dbraw/zinc/65/21/76/952652176.db2.gz BAKNFVFWHKAGQG-CYBMUJFWSA-N -1 1 379.428 1.007 20 0 GDADMM CN(C)c1cccc(C(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571146808 952652898 /nfs/dbraw/zinc/65/28/98/952652898.db2.gz CPVUITIMHXJCEC-ZDUSSCGKSA-N -1 1 379.428 1.049 20 0 GDADMM CN(C)c1cccc(C(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571146808 952652901 /nfs/dbraw/zinc/65/29/01/952652901.db2.gz CPVUITIMHXJCEC-ZDUSSCGKSA-N -1 1 379.428 1.049 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001571147159 952658071 /nfs/dbraw/zinc/65/80/71/952658071.db2.gz HUNOLIYGRYQRRF-ZIAGYGMSSA-N -1 1 379.428 1.177 20 0 GDADMM CCc1cccnc1C(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)[C@@H](C)C1 ZINC001571148060 952665333 /nfs/dbraw/zinc/66/53/33/952665333.db2.gz UEJVPGHVEQAHKN-FZMZJTMJSA-N -1 1 379.428 1.187 20 0 GDADMM CCc1cccnc1C(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)[C@@H](C)C1 ZINC001571148060 952665334 /nfs/dbraw/zinc/66/53/34/952665334.db2.gz UEJVPGHVEQAHKN-FZMZJTMJSA-N -1 1 379.428 1.187 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3CCC[C@]3(NC(=O)c3ccc[nH]3)C2)n1 ZINC001571148219 952665860 /nfs/dbraw/zinc/66/58/60/952665860.db2.gz VUEBXCSALZXCDD-SGTLLEGYSA-N -1 1 379.428 1.082 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3CCC[C@]3(NC(=O)c3ccc[nH]3)C2)n1 ZINC001571148219 952665862 /nfs/dbraw/zinc/66/58/62/952665862.db2.gz VUEBXCSALZXCDD-SGTLLEGYSA-N -1 1 379.428 1.082 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccncc2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571148290 952666585 /nfs/dbraw/zinc/66/65/85/952666585.db2.gz YCFNZHYBFRWAPJ-JSGCOSHPSA-N -1 1 379.428 1.262 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccncc2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571148290 952666587 /nfs/dbraw/zinc/66/65/87/952666587.db2.gz YCFNZHYBFRWAPJ-JSGCOSHPSA-N -1 1 379.428 1.262 20 0 GDADMM C[C@@H]1C[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CN1C(=O)c1cn[nH]c1 ZINC001571152638 952683043 /nfs/dbraw/zinc/68/30/43/952683043.db2.gz IWJDPTCPKAETRE-HTRCEHHLSA-N -1 1 379.837 1.415 20 0 GDADMM Cc1ccoc1C(=O)N1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC001571152915 952684262 /nfs/dbraw/zinc/68/42/62/952684262.db2.gz KYWPRZUGJUIXCO-UHFFFAOYSA-N -1 1 379.833 1.840 20 0 GDADMM Cc1ccoc1C(=O)N1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC001571152915 952684267 /nfs/dbraw/zinc/68/42/67/952684267.db2.gz KYWPRZUGJUIXCO-UHFFFAOYSA-N -1 1 379.833 1.840 20 0 GDADMM NS(=O)(=O)c1cccc(NC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)c1 ZINC001571152906 952684276 /nfs/dbraw/zinc/68/42/76/952684276.db2.gz KTKOQGSQXWVJLV-UHFFFAOYSA-N -1 1 380.336 1.045 20 0 GDADMM NS(=O)(=O)c1cccc(NC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)c1 ZINC001571152906 952684281 /nfs/dbraw/zinc/68/42/81/952684281.db2.gz KTKOQGSQXWVJLV-UHFFFAOYSA-N -1 1 380.336 1.045 20 0 GDADMM O=C(N[C@@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1)[C@@H]1C[C@H]1C1CC1 ZINC001571154118 952689388 /nfs/dbraw/zinc/68/93/88/952689388.db2.gz YQZRRZNYYKQMTN-KXUCPTDWSA-N -1 1 379.877 1.718 20 0 GDADMM O=C(N[C@@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1)[C@@H]1C[C@H]1C1CC1 ZINC001571154118 952689392 /nfs/dbraw/zinc/68/93/92/952689392.db2.gz YQZRRZNYYKQMTN-KXUCPTDWSA-N -1 1 379.877 1.718 20 0 GDADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@@H]1CCCN(C(=O)c2ccccc2O)C1 ZINC001571154872 952690291 /nfs/dbraw/zinc/69/02/91/952690291.db2.gz CVWQAEKDUMAYIH-GFCCVEGCSA-N -1 1 380.412 1.103 20 0 GDADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)c2ccccc2O)C1 ZINC001571154872 952690293 /nfs/dbraw/zinc/69/02/93/952690293.db2.gz CVWQAEKDUMAYIH-GFCCVEGCSA-N -1 1 380.412 1.103 20 0 GDADMM C[C@H]1CCCN(C(=O)CC(C)(F)F)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571155034 952691854 /nfs/dbraw/zinc/69/18/54/952691854.db2.gz FJWRCWRDYJKSJX-QWRGUYRKSA-N -1 1 380.403 1.163 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCN(C(=O)[C@H](C)C(C)(F)F)CC2)n1 ZINC001571155490 952698201 /nfs/dbraw/zinc/69/82/01/952698201.db2.gz UJUHAGDEZMTRFN-NSHDSACASA-N -1 1 380.403 1.295 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCN(C(=O)[C@H](C)C(C)(F)F)CC2)n1 ZINC001571155490 952698203 /nfs/dbraw/zinc/69/82/03/952698203.db2.gz UJUHAGDEZMTRFN-NSHDSACASA-N -1 1 380.403 1.295 20 0 GDADMM Cc1cccnc1C(=O)N1CC[C@H]([C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571156646 952702683 /nfs/dbraw/zinc/70/26/83/952702683.db2.gz GBHUNHSGTHVVLC-OLZOCXBDSA-N -1 1 379.428 1.323 20 0 GDADMM Cc1cccnc1C(=O)N1CC[C@H]([C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571156646 952702686 /nfs/dbraw/zinc/70/26/86/952702686.db2.gz GBHUNHSGTHVVLC-OLZOCXBDSA-N -1 1 379.428 1.323 20 0 GDADMM Cc1cncc(C(=O)NC[C@H]2CCCN2c2nc(C)cc(-c3nnn[n-]3)n2)c1 ZINC001571156762 952704813 /nfs/dbraw/zinc/70/48/13/952704813.db2.gz IYJINHZENQVTCE-CQSZACIVSA-N -1 1 379.428 1.067 20 0 GDADMM Cc1cncc(C(=O)NC[C@H]2CCCN2c2nc(C)cc(-c3nn[n-]n3)n2)c1 ZINC001571156762 952704814 /nfs/dbraw/zinc/70/48/14/952704814.db2.gz IYJINHZENQVTCE-CQSZACIVSA-N -1 1 379.428 1.067 20 0 GDADMM Cc1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)nc1C ZINC001571157959 952708753 /nfs/dbraw/zinc/70/87/53/952708753.db2.gz ORGFCGPHCXEYNO-IAQYHMDHSA-N -1 1 379.428 1.241 20 0 GDADMM Cc1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)nc1C ZINC001571157959 952708756 /nfs/dbraw/zinc/70/87/56/952708756.db2.gz ORGFCGPHCXEYNO-IAQYHMDHSA-N -1 1 379.428 1.241 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccco3)C2)n1 ZINC001571158525 952712479 /nfs/dbraw/zinc/71/24/79/952712479.db2.gz KNMVPVWYRWAMPG-YNEHKIRRSA-N -1 1 380.412 1.375 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccco3)C2)n1 ZINC001571158525 952712483 /nfs/dbraw/zinc/71/24/83/952712483.db2.gz KNMVPVWYRWAMPG-YNEHKIRRSA-N -1 1 380.412 1.375 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(c2nccnc2-c2nnn[n-]2)C3)co1 ZINC001571158522 952712905 /nfs/dbraw/zinc/71/29/05/952712905.db2.gz KKVGDQNWHJKRNB-YUTCNCBUSA-N -1 1 380.412 1.345 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(c2nccnc2-c2nn[n-]n2)C3)co1 ZINC001571158522 952712906 /nfs/dbraw/zinc/71/29/06/952712906.db2.gz KKVGDQNWHJKRNB-YUTCNCBUSA-N -1 1 380.412 1.345 20 0 GDADMM COc1ccc(C(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c(C)c1 ZINC001571159472 952719708 /nfs/dbraw/zinc/71/97/08/952719708.db2.gz VXPGEHOTAKSWML-LBPRGKRZSA-N -1 1 380.412 1.300 20 0 GDADMM COc1ccc(C(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c(C)c1 ZINC001571159472 952719712 /nfs/dbraw/zinc/71/97/12/952719712.db2.gz VXPGEHOTAKSWML-LBPRGKRZSA-N -1 1 380.412 1.300 20 0 GDADMM COc1ccc(C(=O)N(C)[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001571159708 952721939 /nfs/dbraw/zinc/72/19/39/952721939.db2.gz ZFIUBRAHRFAYLY-CYBMUJFWSA-N -1 1 380.412 1.016 20 0 GDADMM COc1ccc(C(=O)N(C)[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571159708 952721941 /nfs/dbraw/zinc/72/19/41/952721941.db2.gz ZFIUBRAHRFAYLY-CYBMUJFWSA-N -1 1 380.412 1.016 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CCC[C@H]2CNc2cnc(-c3nnn[n-]3)cn2)ccn1 ZINC001571160350 952726253 /nfs/dbraw/zinc/72/62/53/952726253.db2.gz ZIRAYYDWWACSJA-KBPBESRZSA-N -1 1 379.428 1.371 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CCC[C@H]2CNc2cnc(-c3nn[n-]n3)cn2)ccn1 ZINC001571160350 952726254 /nfs/dbraw/zinc/72/62/54/952726254.db2.gz ZIRAYYDWWACSJA-KBPBESRZSA-N -1 1 379.428 1.371 20 0 GDADMM Cc1occc1C(=O)N[C@@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2 ZINC001571161021 952730083 /nfs/dbraw/zinc/73/00/83/952730083.db2.gz OTZOOVWCYIGAOE-QWHCGFSZSA-N -1 1 380.412 1.133 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3C[C@H]2CN3C(=O)C2=CCCCCC2)n1 ZINC001571169523 952775302 /nfs/dbraw/zinc/77/53/02/952775302.db2.gz FSSRVOFOKBFBEC-GJZGRUSLSA-N -1 1 380.456 1.645 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3C[C@H]2CN3C(=O)C2=CCCCCC2)n1 ZINC001571169523 952775306 /nfs/dbraw/zinc/77/53/06/952775306.db2.gz FSSRVOFOKBFBEC-GJZGRUSLSA-N -1 1 380.456 1.645 20 0 GDADMM CN(C(=O)c1cc(C2CC2)on1)C1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571170398 952785928 /nfs/dbraw/zinc/78/59/28/952785928.db2.gz ISKPGEKKOYCOMU-UHFFFAOYSA-N -1 1 381.400 1.237 20 0 GDADMM CN(C(=O)c1cc(C2CC2)on1)C1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571170398 952785930 /nfs/dbraw/zinc/78/59/30/952785930.db2.gz ISKPGEKKOYCOMU-UHFFFAOYSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H]1[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCN1C(=O)c1ccon1 ZINC001571171543 952793615 /nfs/dbraw/zinc/79/36/15/952793615.db2.gz BRXVPYIISGQILV-RQJHMYQMSA-N -1 1 380.821 1.680 20 0 GDADMM C[C@@H]1[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCN1C(=O)c1ccon1 ZINC001571171543 952793616 /nfs/dbraw/zinc/79/36/16/952793616.db2.gz BRXVPYIISGQILV-RQJHMYQMSA-N -1 1 380.821 1.680 20 0 GDADMM Cc1ncoc1C(=O)N[C@H]1C[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571171582 952794757 /nfs/dbraw/zinc/79/47/57/952794757.db2.gz CUSIJAHTGPPPNG-KNVOCYPGSA-N -1 1 380.821 1.646 20 0 GDADMM Cc1ncoc1C(=O)N[C@H]1C[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571171582 952794770 /nfs/dbraw/zinc/79/47/70/952794770.db2.gz CUSIJAHTGPPPNG-KNVOCYPGSA-N -1 1 380.821 1.646 20 0 GDADMM O=C(NC[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)[C@H]1CCCC12CC2 ZINC001571171762 952797333 /nfs/dbraw/zinc/79/73/33/952797333.db2.gz GENCCEPMPHEJLE-YIYPIFLZSA-N -1 1 380.456 1.035 20 0 GDADMM O=C(NC[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)[C@H]1CCCC12CC2 ZINC001571171762 952797339 /nfs/dbraw/zinc/79/73/39/952797339.db2.gz GENCCEPMPHEJLE-YIYPIFLZSA-N -1 1 380.456 1.035 20 0 GDADMM O=C(c1cnco1)N1CCCN(c2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001571172085 952801652 /nfs/dbraw/zinc/80/16/52/952801652.db2.gz LUZUBVRHLZZUOK-UHFFFAOYSA-N -1 1 380.821 1.317 20 0 GDADMM O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571172393 952807405 /nfs/dbraw/zinc/80/74/05/952807405.db2.gz UTBJHHOBAABSFM-ZHMBSYLPSA-N -1 1 380.456 1.130 20 0 GDADMM CCCc1[nH]ccc1C(=O)N1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001571183476 952878702 /nfs/dbraw/zinc/87/87/02/952878702.db2.gz BEECZYGKNFQOQY-VXGBXAGGSA-N -1 1 381.444 1.074 20 0 GDADMM CC(C)n1cccc1C(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571183488 952878867 /nfs/dbraw/zinc/87/88/67/952878867.db2.gz BQIVBFAHTGSDPM-CHWSQXEVSA-N -1 1 381.444 1.612 20 0 GDADMM CC(C)n1cccc1C(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571183488 952878868 /nfs/dbraw/zinc/87/88/68/952878868.db2.gz BQIVBFAHTGSDPM-CHWSQXEVSA-N -1 1 381.444 1.612 20 0 GDADMM CC1(C)C[C@@H](NC(=O)c2ccc[nH]2)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571184425 952894022 /nfs/dbraw/zinc/89/40/22/952894022.db2.gz YYWBWEVDNUMJDN-LBPRGKRZSA-N -1 1 381.444 1.410 20 0 GDADMM Cc1[nH]ccc1C(=O)N[C@@H]1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571185194 952900839 /nfs/dbraw/zinc/90/08/39/952900839.db2.gz JJHLUFAPQNEDHQ-TZMCWYRMSA-N -1 1 381.444 1.694 20 0 GDADMM Cc1[nH]ccc1C(=O)N[C@@H]1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571185194 952900841 /nfs/dbraw/zinc/90/08/41/952900841.db2.gz JJHLUFAPQNEDHQ-TZMCWYRMSA-N -1 1 381.444 1.694 20 0 GDADMM CCn1cccc1C(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571185794 952904005 /nfs/dbraw/zinc/90/40/05/952904005.db2.gz PPUIXENOOZSLSQ-CYBMUJFWSA-N -1 1 381.444 1.007 20 0 GDADMM Cc1cc(C(=O)N2C[C@@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C[C@H]2C)c(C)[nH]1 ZINC001571186269 952905526 /nfs/dbraw/zinc/90/55/26/952905526.db2.gz UTXJUYAMJKEYFJ-YPMHNXCESA-N -1 1 381.444 1.625 20 0 GDADMM Cc1cc(C(=O)N2C[C@@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C[C@H]2C)c(C)[nH]1 ZINC001571186269 952905528 /nfs/dbraw/zinc/90/55/28/952905528.db2.gz UTXJUYAMJKEYFJ-YPMHNXCESA-N -1 1 381.444 1.625 20 0 GDADMM Cc1ccn(C)c1C(=O)N1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571187743 952909979 /nfs/dbraw/zinc/90/99/79/952909979.db2.gz BMNAPUXNDUTNHR-ZDUSSCGKSA-N -1 1 381.444 1.410 20 0 GDADMM Cc1ccn(C)c1C(=O)N1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571187743 952909981 /nfs/dbraw/zinc/90/99/81/952909981.db2.gz BMNAPUXNDUTNHR-ZDUSSCGKSA-N -1 1 381.444 1.410 20 0 GDADMM Cc1cc(C)c(C(=O)N2C[C@H](C)[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)[nH]1 ZINC001571187728 952910620 /nfs/dbraw/zinc/91/06/20/952910620.db2.gz BGGCGPHBZYXBEM-AAEUAGOBSA-N -1 1 381.444 1.422 20 0 GDADMM Cc1cc(C)c(C(=O)N2C[C@H](C)[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)[nH]1 ZINC001571187728 952910623 /nfs/dbraw/zinc/91/06/23/952910623.db2.gz BGGCGPHBZYXBEM-AAEUAGOBSA-N -1 1 381.444 1.422 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CCC[C@@H]([C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571187999 952911152 /nfs/dbraw/zinc/91/11/52/952911152.db2.gz FMNRHFXYYZDTTE-CHWSQXEVSA-N -1 1 381.444 1.646 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CCC[C@@H]([C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571187999 952911158 /nfs/dbraw/zinc/91/11/58/952911158.db2.gz FMNRHFXYYZDTTE-CHWSQXEVSA-N -1 1 381.444 1.646 20 0 GDADMM Cn1cccc1C(=O)NC[C@H]1CCCCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571189302 952928220 /nfs/dbraw/zinc/92/82/20/952928220.db2.gz PJEINTSVGYXRIQ-CYBMUJFWSA-N -1 1 381.444 1.174 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)N(c3cncc(-c4nnn[n-]4)n3)C2)n1C ZINC001571189519 952930979 /nfs/dbraw/zinc/93/09/79/952930979.db2.gz WPLLBTXFYSXOMD-QWHCGFSZSA-N -1 1 381.444 1.091 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)N(c3cncc(-c4nn[n-]n4)n3)C2)n1C ZINC001571189519 952930983 /nfs/dbraw/zinc/93/09/83/952930983.db2.gz WPLLBTXFYSXOMD-QWHCGFSZSA-N -1 1 381.444 1.091 20 0 GDADMM O=C(NCc1nnc2n1CC[C@@H](C(F)(F)F)C2)c1ccc(-c2nnn[n-]2)o1 ZINC001571194494 952963669 /nfs/dbraw/zinc/96/36/69/952963669.db2.gz NXLJGYZUPSWFAU-SSDOTTSWSA-N -1 1 382.306 1.106 20 0 GDADMM O=C(NCc1nnc2n1CC[C@@H](C(F)(F)F)C2)c1ccc(-c2nn[n-]n2)o1 ZINC001571194494 952963672 /nfs/dbraw/zinc/96/36/72/952963672.db2.gz NXLJGYZUPSWFAU-SSDOTTSWSA-N -1 1 382.306 1.106 20 0 GDADMM Cc1ccc(C(=O)N2C[C@H](Nc3nccnc3-c3nnn[n-]3)C[C@@H]2C)c(F)c1 ZINC001571195606 952977227 /nfs/dbraw/zinc/97/72/27/952977227.db2.gz COOHSUDKBIPUCO-NWDGAFQWSA-N -1 1 382.403 1.819 20 0 GDADMM Cc1ccc(C(=O)N2C[C@H](Nc3nccnc3-c3nn[n-]n3)C[C@@H]2C)c(F)c1 ZINC001571195606 952977232 /nfs/dbraw/zinc/97/72/32/952977232.db2.gz COOHSUDKBIPUCO-NWDGAFQWSA-N -1 1 382.403 1.819 20 0 GDADMM NC(=O)[C@H](CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1)Cc1ccc(F)cc1 ZINC001571195703 952977944 /nfs/dbraw/zinc/97/79/44/952977944.db2.gz DVDKZXYDUUWCFA-LBPRGKRZSA-N -1 1 382.403 1.429 20 0 GDADMM NC(=O)[C@H](CNc1cc(-c2nn[n-]n2)nc(C2CC2)n1)Cc1ccc(F)cc1 ZINC001571195703 952977948 /nfs/dbraw/zinc/97/79/48/952977948.db2.gz DVDKZXYDUUWCFA-LBPRGKRZSA-N -1 1 382.403 1.429 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)Cc1ccc(F)cc1 ZINC001571196419 952981460 /nfs/dbraw/zinc/98/14/60/952981460.db2.gz KJLRLGINTCBRIM-FZMZJTMJSA-N -1 1 382.403 1.440 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)Cc1ccc(F)cc1 ZINC001571196419 952981465 /nfs/dbraw/zinc/98/14/65/952981465.db2.gz KJLRLGINTCBRIM-FZMZJTMJSA-N -1 1 382.403 1.440 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)ccc1F ZINC001571196447 952981925 /nfs/dbraw/zinc/98/19/25/952981925.db2.gz KQRPJPITYKJTEO-CYBMUJFWSA-N -1 1 382.403 1.821 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)ccc1F ZINC001571196447 952981932 /nfs/dbraw/zinc/98/19/32/952981932.db2.gz KQRPJPITYKJTEO-CYBMUJFWSA-N -1 1 382.403 1.821 20 0 GDADMM Cc1c(F)cccc1C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571196732 952983358 /nfs/dbraw/zinc/98/33/58/952983358.db2.gz MZDMROXWCDNDTF-GFCCVEGCSA-N -1 1 382.403 1.821 20 0 GDADMM Cc1c(F)cccc1C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571196732 952983364 /nfs/dbraw/zinc/98/33/64/952983364.db2.gz MZDMROXWCDNDTF-GFCCVEGCSA-N -1 1 382.403 1.821 20 0 GDADMM Cc1c(F)cccc1C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571196902 952984471 /nfs/dbraw/zinc/98/44/71/952984471.db2.gz PFHUTKADMRRJBR-LBPRGKRZSA-N -1 1 382.403 1.503 20 0 GDADMM Cc1c(F)cccc1C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571196902 952984477 /nfs/dbraw/zinc/98/44/77/952984477.db2.gz PFHUTKADMRRJBR-LBPRGKRZSA-N -1 1 382.403 1.503 20 0 GDADMM CN(C(=O)Cc1cccc(F)c1)C1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571197254 952986908 /nfs/dbraw/zinc/98/69/08/952986908.db2.gz UYTKGJGXGNRAHZ-UHFFFAOYSA-N -1 1 382.403 1.440 20 0 GDADMM CN(C(=O)Cc1cccc(F)c1)C1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571197254 952986910 /nfs/dbraw/zinc/98/69/10/952986910.db2.gz UYTKGJGXGNRAHZ-UHFFFAOYSA-N -1 1 382.403 1.440 20 0 GDADMM CN(C[C@H]1CCN(C(=O)c2cccc(F)c2)C1)c1nccnc1-c1nnn[n-]1 ZINC001571197279 952987281 /nfs/dbraw/zinc/98/72/81/952987281.db2.gz VBNQIULAEHFNFH-GFCCVEGCSA-N -1 1 382.403 1.394 20 0 GDADMM CN(C[C@H]1CCN(C(=O)c2cccc(F)c2)C1)c1nccnc1-c1nn[n-]n1 ZINC001571197279 952987288 /nfs/dbraw/zinc/98/72/88/952987288.db2.gz VBNQIULAEHFNFH-GFCCVEGCSA-N -1 1 382.403 1.394 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)c3ccc(F)cc3)[C@@H]2C)n1 ZINC001571197291 952987990 /nfs/dbraw/zinc/98/79/90/952987990.db2.gz VQGWRLHJJADHRJ-BXUZGUMPSA-N -1 1 382.403 1.819 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)c3ccc(F)cc3)[C@@H]2C)n1 ZINC001571197291 952987992 /nfs/dbraw/zinc/98/79/92/952987992.db2.gz VQGWRLHJJADHRJ-BXUZGUMPSA-N -1 1 382.403 1.819 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)cc1F ZINC001571197288 952988765 /nfs/dbraw/zinc/98/87/65/952988765.db2.gz VLUHQJVXCRMSGA-LBPRGKRZSA-N -1 1 382.403 1.678 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)cc1F ZINC001571197288 952988767 /nfs/dbraw/zinc/98/87/67/952988767.db2.gz VLUHQJVXCRMSGA-LBPRGKRZSA-N -1 1 382.403 1.678 20 0 GDADMM Cc1ccc(F)cc1C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571197290 952989040 /nfs/dbraw/zinc/98/90/40/952989040.db2.gz VMEGHSVEZKQKBD-ZDUSSCGKSA-N -1 1 382.403 1.243 20 0 GDADMM CCc1occc1C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001571198977 952994915 /nfs/dbraw/zinc/99/49/15/952994915.db2.gz JJQRYQUIPZIXMB-AAEUAGOBSA-N -1 1 382.428 1.775 20 0 GDADMM CCc1occc1C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001571198977 952994919 /nfs/dbraw/zinc/99/49/19/952994919.db2.gz JJQRYQUIPZIXMB-AAEUAGOBSA-N -1 1 382.428 1.775 20 0 GDADMM CN(C(=O)Cc1ccoc1)C1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571199486 953000630 /nfs/dbraw/zinc/00/06/30/953000630.db2.gz SNSHKAWKJLBDFI-UHFFFAOYSA-N -1 1 382.428 1.674 20 0 GDADMM CN(C(=O)Cc1ccoc1)C1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571199486 953000636 /nfs/dbraw/zinc/00/06/36/953000636.db2.gz SNSHKAWKJLBDFI-UHFFFAOYSA-N -1 1 382.428 1.674 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@@H]1CCCCN1C(=O)Cc1ccoc1 ZINC001571200304 953007899 /nfs/dbraw/zinc/00/78/99/953007899.db2.gz HIPMGSMPQPLIFS-OCCSQVGLSA-N -1 1 382.428 1.674 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@@H]1CCCCN1C(=O)Cc1ccoc1 ZINC001571200304 953007901 /nfs/dbraw/zinc/00/79/01/953007901.db2.gz HIPMGSMPQPLIFS-OCCSQVGLSA-N -1 1 382.428 1.674 20 0 GDADMM O=C(N[C@@H]1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)c1ccc(F)cc1 ZINC001571200541 953009515 /nfs/dbraw/zinc/00/95/15/953009515.db2.gz JPOWDUOZKBFEJP-BXUZGUMPSA-N -1 1 382.403 1.806 20 0 GDADMM O=C(N[C@@H]1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)c1ccc(F)cc1 ZINC001571200541 953009519 /nfs/dbraw/zinc/00/95/19/953009519.db2.gz JPOWDUOZKBFEJP-BXUZGUMPSA-N -1 1 382.403 1.806 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CC[C@@H](C)N(c3nccnc3-c3nnn[n-]3)C2)oc1C ZINC001571200557 953009770 /nfs/dbraw/zinc/00/97/70/953009770.db2.gz DLBYATHVKUASSM-YPMHNXCESA-N -1 1 382.428 1.654 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CC[C@@H](C)N(c3nccnc3-c3nn[n-]n3)C2)oc1C ZINC001571200557 953009774 /nfs/dbraw/zinc/00/97/74/953009774.db2.gz DLBYATHVKUASSM-YPMHNXCESA-N -1 1 382.428 1.654 20 0 GDADMM Cc1cocc1C(=O)N1CCC[C@@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571200843 953013345 /nfs/dbraw/zinc/01/33/45/953013345.db2.gz GRGWCFKAAMIZEY-ZDUSSCGKSA-N -1 1 382.428 1.913 20 0 GDADMM Cc1cocc1C(=O)N1CCC[C@@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571200843 953013348 /nfs/dbraw/zinc/01/33/48/953013348.db2.gz GRGWCFKAAMIZEY-ZDUSSCGKSA-N -1 1 382.428 1.913 20 0 GDADMM CC1(C)CN(c2ccnc(-c3nn[n-]n3)n2)CC[C@H]1NC(=O)Cc1ccoc1 ZINC001571201559 953019068 /nfs/dbraw/zinc/01/90/68/953019068.db2.gz ROOQUZDYPMASSB-CYBMUJFWSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1ccco1 ZINC001571201895 953020689 /nfs/dbraw/zinc/02/06/89/953020689.db2.gz SNKZDYRSPUIOBK-QWHCGFSZSA-N -1 1 382.428 1.674 20 0 GDADMM C[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1ccco1 ZINC001571201895 953020694 /nfs/dbraw/zinc/02/06/94/953020694.db2.gz SNKZDYRSPUIOBK-QWHCGFSZSA-N -1 1 382.428 1.674 20 0 GDADMM Cc1cc(C(=O)NC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C)oc1C ZINC001571201791 953020788 /nfs/dbraw/zinc/02/07/88/953020788.db2.gz OLPNMTHHVDOMCE-DGCLKSJQSA-N -1 1 382.428 1.369 20 0 GDADMM Cc1cc(C(=O)NC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C)oc1C ZINC001571201791 953020790 /nfs/dbraw/zinc/02/07/90/953020790.db2.gz OLPNMTHHVDOMCE-DGCLKSJQSA-N -1 1 382.428 1.369 20 0 GDADMM CC(C)c1occc1C(=O)N1CC[C@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571202106 953023481 /nfs/dbraw/zinc/02/34/81/953023481.db2.gz VIPCYKRLZOGTJT-LBPRGKRZSA-N -1 1 382.428 1.724 20 0 GDADMM CC(C)c1occc1C(=O)N1CC[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571202106 953023486 /nfs/dbraw/zinc/02/34/86/953023486.db2.gz VIPCYKRLZOGTJT-LBPRGKRZSA-N -1 1 382.428 1.724 20 0 GDADMM Cc1cc(C(=O)N2CCCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)oc1C ZINC001571202284 953024178 /nfs/dbraw/zinc/02/41/78/953024178.db2.gz SKYFHZZLYJBTDH-CYBMUJFWSA-N -1 1 382.428 1.973 20 0 GDADMM Cc1cc(C(=O)N2CCCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)oc1C ZINC001571202284 953024183 /nfs/dbraw/zinc/02/41/83/953024183.db2.gz SKYFHZZLYJBTDH-CYBMUJFWSA-N -1 1 382.428 1.973 20 0 GDADMM O=C(N[C@@H]1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1F ZINC001571202440 953025283 /nfs/dbraw/zinc/02/52/83/953025283.db2.gz WXRFURBQUZCJJW-VXGBXAGGSA-N -1 1 382.403 1.371 20 0 GDADMM Cc1[nH]nc(C(=O)N[C@H]2CCC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c1C ZINC001571207277 953061915 /nfs/dbraw/zinc/06/19/15/953061915.db2.gz PLFNJRQUTXROTJ-RYUDHWBXSA-N -1 1 382.432 1.150 20 0 GDADMM Cc1occc1C(=O)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001571207346 953061979 /nfs/dbraw/zinc/06/19/79/953061979.db2.gz YGFDCRJHLUHGJS-AAEUAGOBSA-N -1 1 382.428 1.768 20 0 GDADMM Cc1occc1C(=O)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001571207346 953061980 /nfs/dbraw/zinc/06/19/80/953061980.db2.gz YGFDCRJHLUHGJS-AAEUAGOBSA-N -1 1 382.428 1.768 20 0 GDADMM Cn1c(=O)[nH]c(N[C@H](Cc2cccnc2)C2CCCC2)c(-c2nn[n-]n2)c1=O ZINC001571207379 953063066 /nfs/dbraw/zinc/06/30/66/953063066.db2.gz ZATGKKIWYFCAKR-CYBMUJFWSA-N -1 1 382.428 1.274 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H]2C2CCN(C(=O)C3CC3)CC2)n1 ZINC001571211584 953078258 /nfs/dbraw/zinc/07/82/58/953078258.db2.gz CJLLBQDOVJHKSB-INIZCTEOSA-N -1 1 382.472 1.583 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H]2C2CCN(C(=O)C3CC3)CC2)n1 ZINC001571211584 953078262 /nfs/dbraw/zinc/07/82/62/953078262.db2.gz CJLLBQDOVJHKSB-INIZCTEOSA-N -1 1 382.472 1.583 20 0 GDADMM CCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC001571212102 953084017 /nfs/dbraw/zinc/08/40/17/953084017.db2.gz IXWLGGBATVPGPW-UONOGXRCSA-N -1 1 382.472 1.886 20 0 GDADMM CCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC001571212102 953084020 /nfs/dbraw/zinc/08/40/20/953084020.db2.gz IXWLGGBATVPGPW-UONOGXRCSA-N -1 1 382.472 1.886 20 0 GDADMM CN(C[C@@H]1CCCN1C(=O)[C@H]1CCCC12CC2)c1cncc(-c2nnn[n-]2)n1 ZINC001571212245 953085888 /nfs/dbraw/zinc/08/58/88/953085888.db2.gz JYWHJTIEAHKDRE-UONOGXRCSA-N -1 1 382.472 1.664 20 0 GDADMM CN(C[C@@H]1CCCN1C(=O)[C@H]1CCCC12CC2)c1cncc(-c2nn[n-]n2)n1 ZINC001571212245 953085891 /nfs/dbraw/zinc/08/58/91/953085891.db2.gz JYWHJTIEAHKDRE-UONOGXRCSA-N -1 1 382.472 1.664 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2CC3(CC3)C2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571212239 953086411 /nfs/dbraw/zinc/08/64/11/953086411.db2.gz JWAVWNKKUYCLMJ-OCCSQVGLSA-N -1 1 382.472 1.308 20 0 GDADMM C[C@H](NC(=O)[C@]12C[C@H]1CCC2)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571212408 953088151 /nfs/dbraw/zinc/08/81/51/953088151.db2.gz LEKNCBOCEBLZKV-BBEJJTJUSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](NC(=O)[C@]12C[C@H]1CCC2)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571212408 953088153 /nfs/dbraw/zinc/08/81/53/953088153.db2.gz LEKNCBOCEBLZKV-BBEJJTJUSA-N -1 1 382.472 1.568 20 0 GDADMM CC1(C)CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1 ZINC001571213560 953096862 /nfs/dbraw/zinc/09/68/62/953096862.db2.gz RSDQLFWFFDDKBB-IHRRRGAJSA-N -1 1 382.472 1.663 20 0 GDADMM CC1(C)CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1 ZINC001571213560 953096863 /nfs/dbraw/zinc/09/68/63/953096863.db2.gz RSDQLFWFFDDKBB-IHRRRGAJSA-N -1 1 382.472 1.663 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@]3(NC(=O)[C@H](C)C4CC4)CCC[C@@H]23)n1 ZINC001571214097 953099423 /nfs/dbraw/zinc/09/94/23/953099423.db2.gz WXFCVTGVQSFTLG-KPAZRMRSSA-N -1 1 382.472 1.629 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@]3(NC(=O)[C@H](C)C4CC4)CCC[C@@H]23)n1 ZINC001571214097 953099424 /nfs/dbraw/zinc/09/94/24/953099424.db2.gz WXFCVTGVQSFTLG-KPAZRMRSSA-N -1 1 382.472 1.629 20 0 GDADMM O=C(NC1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)[C@H]1CCCC12CC2 ZINC001571216864 953104958 /nfs/dbraw/zinc/10/49/58/953104958.db2.gz BALGQTBKKFITGQ-JXQTWKCFSA-N -1 1 382.472 1.498 20 0 GDADMM O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCCC[C@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001571217331 953107354 /nfs/dbraw/zinc/10/73/54/953107354.db2.gz FRCCXHBQHILQIF-YJNKXOJESA-N -1 1 382.472 1.886 20 0 GDADMM O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCCC[C@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001571217331 953107356 /nfs/dbraw/zinc/10/73/56/953107356.db2.gz FRCCXHBQHILQIF-YJNKXOJESA-N -1 1 382.472 1.886 20 0 GDADMM O=C(NC[C@H]1CCCCCN1c1cnc(-c2nnn[n-]2)cn1)[C@@H]1C[C@H]1C1CC1 ZINC001571217359 953108289 /nfs/dbraw/zinc/10/82/89/953108289.db2.gz GKZASVLRQGCHRO-QLFBSQMISA-N -1 1 382.472 1.568 20 0 GDADMM O=C(NC[C@H]1CCCCCN1c1cnc(-c2nn[n-]n2)cn1)[C@@H]1C[C@H]1C1CC1 ZINC001571217359 953108292 /nfs/dbraw/zinc/10/82/92/953108292.db2.gz GKZASVLRQGCHRO-QLFBSQMISA-N -1 1 382.472 1.568 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C1CCC2(CC2)CC1 ZINC001571217691 953110327 /nfs/dbraw/zinc/11/03/27/953110327.db2.gz IHXUVUTVICFAAP-MQMHXKEQSA-N -1 1 382.472 1.934 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C1CCC2(CC2)CC1 ZINC001571217691 953110329 /nfs/dbraw/zinc/11/03/29/953110329.db2.gz IHXUVUTVICFAAP-MQMHXKEQSA-N -1 1 382.472 1.934 20 0 GDADMM O=C(N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CCC2(CC2)CC1 ZINC001571217977 953112007 /nfs/dbraw/zinc/11/20/07/953112007.db2.gz JWFKGLPVKJDVPF-CQSZACIVSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CCC2(CC2)CC1 ZINC001571217977 953112011 /nfs/dbraw/zinc/11/20/11/953112011.db2.gz JWFKGLPVKJDVPF-CQSZACIVSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(N1CCC(CCNc2ccc(-c3nnn[n-]3)nn2)CC1)[C@]12C[C@H]1CCC2 ZINC001571218455 953114799 /nfs/dbraw/zinc/11/47/99/953114799.db2.gz OIAQPCAKRNZURX-AUUYWEPGSA-N -1 1 382.472 1.888 20 0 GDADMM O=C(N1CCC(CCNc2ccc(-c3nn[n-]n3)nn2)CC1)[C@]12C[C@H]1CCC2 ZINC001571218455 953114802 /nfs/dbraw/zinc/11/48/02/953114802.db2.gz OIAQPCAKRNZURX-AUUYWEPGSA-N -1 1 382.472 1.888 20 0 GDADMM O=C(c1cc(F)c[nH]1)N1CCC[C@@H]2[C@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001571218926 953120364 /nfs/dbraw/zinc/12/03/64/953120364.db2.gz HJSGQIXMGNDZEK-CHWSQXEVSA-N -1 1 383.391 1.007 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C12CCC(CC1)CC2 ZINC001571219377 953125015 /nfs/dbraw/zinc/12/50/15/953125015.db2.gz YKOPNYNAUNMXIM-LHYKLLTFSA-N -1 1 382.472 1.356 20 0 GDADMM CC[C@H]1CN(C(=O)c2cc(C)on2)CC[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571222191 953132219 /nfs/dbraw/zinc/13/22/19/953132219.db2.gz DTXFXUCQEXDFMZ-RYUDHWBXSA-N -1 1 383.416 1.306 20 0 GDADMM CC[C@H]1CN(C(=O)c2cc(C)on2)CC[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571222191 953132224 /nfs/dbraw/zinc/13/22/24/953132224.db2.gz DTXFXUCQEXDFMZ-RYUDHWBXSA-N -1 1 383.416 1.306 20 0 GDADMM CCc1oncc1C(=O)N1CC[C@@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571222462 953134693 /nfs/dbraw/zinc/13/46/93/953134693.db2.gz GEWWGLWWXBJNEG-WDEREUQCSA-N -1 1 383.416 1.170 20 0 GDADMM CCc1oncc1C(=O)N1CC[C@@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571222462 953134696 /nfs/dbraw/zinc/13/46/96/953134696.db2.gz GEWWGLWWXBJNEG-WDEREUQCSA-N -1 1 383.416 1.170 20 0 GDADMM CC(C)c1cc(C(=O)N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)on1 ZINC001571222880 953139538 /nfs/dbraw/zinc/13/95/38/953139538.db2.gz MSFZQNSYSKTDGJ-NSHDSACASA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1cc(C(=O)N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)on1 ZINC001571222880 953139539 /nfs/dbraw/zinc/13/95/39/953139539.db2.gz MSFZQNSYSKTDGJ-NSHDSACASA-N -1 1 383.416 1.485 20 0 GDADMM CC[C@@H]1CN(C(=O)c2ccon2)CC[C@H]1Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001571223155 953141380 /nfs/dbraw/zinc/14/13/80/953141380.db2.gz ONIBBJXYEKUQEM-VXGBXAGGSA-N -1 1 383.416 1.306 20 0 GDADMM CC[C@@H]1CN(C(=O)c2ccon2)CC[C@H]1Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001571223155 953141384 /nfs/dbraw/zinc/14/13/84/953141384.db2.gz ONIBBJXYEKUQEM-VXGBXAGGSA-N -1 1 383.416 1.306 20 0 GDADMM CCc1ocnc1C(=O)N[C@H]1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571223044 953141629 /nfs/dbraw/zinc/14/16/29/953141629.db2.gz PNOWADPXGVHPEX-MNOVXSKESA-N -1 1 383.416 1.218 20 0 GDADMM CCc1ocnc1C(=O)N[C@H]1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571223044 953141631 /nfs/dbraw/zinc/14/16/31/953141631.db2.gz PNOWADPXGVHPEX-MNOVXSKESA-N -1 1 383.416 1.218 20 0 GDADMM CCc1cc(C(=O)N2CC[C@H](Nc3cc(-c4nnn[n-]4)nc(CC)n3)C2)no1 ZINC001571223526 953145543 /nfs/dbraw/zinc/14/55/43/953145543.db2.gz UCZQNIGMLJTWJN-JTQLQIEISA-N -1 1 383.416 1.096 20 0 GDADMM CCc1cc(C(=O)N2CC[C@H](Nc3cc(-c4nn[n-]n4)nc(CC)n3)C2)no1 ZINC001571223526 953145546 /nfs/dbraw/zinc/14/55/46/953145546.db2.gz UCZQNIGMLJTWJN-JTQLQIEISA-N -1 1 383.416 1.096 20 0 GDADMM Cc1nc(C)c(C(=O)N2CCCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)o1 ZINC001571224708 953150368 /nfs/dbraw/zinc/15/03/68/953150368.db2.gz DPFMLGZLAHVCFI-GFCCVEGCSA-N -1 1 383.416 1.368 20 0 GDADMM Cc1nc(C)c(C(=O)N2CCCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)o1 ZINC001571224708 953150370 /nfs/dbraw/zinc/15/03/70/953150370.db2.gz DPFMLGZLAHVCFI-GFCCVEGCSA-N -1 1 383.416 1.368 20 0 GDADMM Cc1nc(C)c(C(=O)N[C@H]2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)o1 ZINC001571224734 953150733 /nfs/dbraw/zinc/15/07/33/953150733.db2.gz FGYPMJLDHSRALA-RYUDHWBXSA-N -1 1 383.416 1.415 20 0 GDADMM Cc1nc(C)c(C(=O)N[C@H]2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)o1 ZINC001571224734 953150736 /nfs/dbraw/zinc/15/07/36/953150736.db2.gz FGYPMJLDHSRALA-RYUDHWBXSA-N -1 1 383.416 1.415 20 0 GDADMM Cc1nc(C(=O)N2CC[C@H](C)[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)co1 ZINC001571225260 953153087 /nfs/dbraw/zinc/15/30/87/953153087.db2.gz IXGAOMYPPGZXGF-CMPLNLGQSA-N -1 1 383.416 1.163 20 0 GDADMM Cc1nc(C(=O)N2CC[C@H](C)[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)co1 ZINC001571225260 953153089 /nfs/dbraw/zinc/15/30/89/953153089.db2.gz IXGAOMYPPGZXGF-CMPLNLGQSA-N -1 1 383.416 1.163 20 0 GDADMM Cc1cnoc1C(=O)N[C@H]1CCCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571226992 953158256 /nfs/dbraw/zinc/15/82/56/953158256.db2.gz YLJJXXCMDUKDJX-NEPJUHHUSA-N -1 1 383.416 1.354 20 0 GDADMM Cc1cnoc1C(=O)N[C@H]1CCCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571226992 953158257 /nfs/dbraw/zinc/15/82/57/953158257.db2.gz YLJJXXCMDUKDJX-NEPJUHHUSA-N -1 1 383.416 1.354 20 0 GDADMM Cc1noc(C)c1C(=O)N[C@H]1CC[C@@H](C)N(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571227139 953158533 /nfs/dbraw/zinc/15/85/33/953158533.db2.gz ZLLMRMOVXJOMIX-SKDRFNHKSA-N -1 1 383.416 1.049 20 0 GDADMM Cc1noc(C)c1C(=O)N[C@H]1CC[C@@H](C)N(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571227139 953158535 /nfs/dbraw/zinc/15/85/35/953158535.db2.gz ZLLMRMOVXJOMIX-SKDRFNHKSA-N -1 1 383.416 1.049 20 0 GDADMM Cc1ocnc1C(=O)N1CCC[C@@H]([C@@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571228679 953166162 /nfs/dbraw/zinc/16/61/62/953166162.db2.gz VMWFVWHPDUSIJY-ZYHUDNBSSA-N -1 1 383.416 1.306 20 0 GDADMM Cc1ocnc1C(=O)N1CCC[C@@H]([C@@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571228679 953166165 /nfs/dbraw/zinc/16/61/65/953166165.db2.gz VMWFVWHPDUSIJY-ZYHUDNBSSA-N -1 1 383.416 1.306 20 0 GDADMM CC(C)(C(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001571234608 953203668 /nfs/dbraw/zinc/20/36/68/953203668.db2.gz DAZCYTBHSSMHBK-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)(C(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001571234608 953203669 /nfs/dbraw/zinc/20/36/69/953203669.db2.gz DAZCYTBHSSMHBK-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)[C@H](O)CCNC(=O)Nc1ccc(Br)c(-c2nnn[n-]2)n1 ZINC001571234858 953206482 /nfs/dbraw/zinc/20/64/82/953206482.db2.gz KTPJFWHXSQYNKO-SECBINFHSA-N -1 1 384.238 1.553 20 0 GDADMM CC(C)[C@H](O)CCNC(=O)Nc1ccc(Br)c(-c2nn[n-]n2)n1 ZINC001571234858 953206486 /nfs/dbraw/zinc/20/64/86/953206486.db2.gz KTPJFWHXSQYNKO-SECBINFHSA-N -1 1 384.238 1.553 20 0 GDADMM O=C(C[C@@H]1CCOC1)N[C@H]1C[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571235321 953211401 /nfs/dbraw/zinc/21/14/01/953211401.db2.gz ZXPDTBBBHZKMEB-CIUDSAMLSA-N -1 1 383.865 1.462 20 0 GDADMM COCc1ccc(C(=O)N[C@H]2C[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)o1 ZINC001571236392 953217179 /nfs/dbraw/zinc/21/71/79/953217179.db2.gz YLHBUTJGRAZCTN-XYPYZODXSA-N -1 1 384.400 1.017 20 0 GDADMM COCc1ccc(C(=O)N[C@H]2C[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)o1 ZINC001571236392 953217184 /nfs/dbraw/zinc/21/71/84/953217184.db2.gz YLHBUTJGRAZCTN-XYPYZODXSA-N -1 1 384.400 1.017 20 0 GDADMM COc1ncc(NC(=O)CCc2nnc(C3CCCC3)o2)cc1-c1nn[n-]n1 ZINC001571237459 953221268 /nfs/dbraw/zinc/22/12/68/953221268.db2.gz HYXBVUAZACUDFL-UHFFFAOYSA-N -1 1 384.400 1.882 20 0 GDADMM COc1ccc(C(=O)N2CC[C@H](CCNc3nccnc3-c3nnn[n-]3)C2)o1 ZINC001571237977 953223743 /nfs/dbraw/zinc/22/37/43/953223743.db2.gz PJVWIVOITLDFOM-NSHDSACASA-N -1 1 384.400 1.223 20 0 GDADMM COc1ccc(C(=O)N2CC[C@H](CCNc3nccnc3-c3nn[n-]n3)C2)o1 ZINC001571237977 953223746 /nfs/dbraw/zinc/22/37/46/953223746.db2.gz PJVWIVOITLDFOM-NSHDSACASA-N -1 1 384.400 1.223 20 0 GDADMM CCc1ccc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@H]2C)s1 ZINC001571244588 953265270 /nfs/dbraw/zinc/26/52/70/953265270.db2.gz BPYDZHCOAFIRIJ-PWSUYJOCSA-N -1 1 384.469 1.996 20 0 GDADMM CCc1ccc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@H]2C)s1 ZINC001571244588 953265272 /nfs/dbraw/zinc/26/52/72/953265272.db2.gz BPYDZHCOAFIRIJ-PWSUYJOCSA-N -1 1 384.469 1.996 20 0 GDADMM C[C@@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)Cc1ccsc1 ZINC001571245111 953270664 /nfs/dbraw/zinc/27/06/64/953270664.db2.gz DMZMTIWPBFTHLX-DGCLKSJQSA-N -1 1 384.469 1.752 20 0 GDADMM C[C@@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)Cc1ccsc1 ZINC001571245111 953270669 /nfs/dbraw/zinc/27/06/69/953270669.db2.gz DMZMTIWPBFTHLX-DGCLKSJQSA-N -1 1 384.469 1.752 20 0 GDADMM Cc1cscc1C(=O)N1CCC[C@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001571245574 953274281 /nfs/dbraw/zinc/27/42/81/953274281.db2.gz VULDWXGORNUHPZ-LBPRGKRZSA-N -1 1 384.469 1.768 20 0 GDADMM CCN(C(=O)c1ccsc1C)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571245722 953276132 /nfs/dbraw/zinc/27/61/32/953276132.db2.gz YMVRJMPQPLSNGI-GFCCVEGCSA-N -1 1 384.469 1.768 20 0 GDADMM Cc1sccc1C(=O)NCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571247940 953288206 /nfs/dbraw/zinc/28/82/06/953288206.db2.gz IZLQWDQHSQEAHF-UHFFFAOYSA-N -1 1 384.469 1.673 20 0 GDADMM Cc1sccc1C(=O)NCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571247940 953288210 /nfs/dbraw/zinc/28/82/10/953288210.db2.gz IZLQWDQHSQEAHF-UHFFFAOYSA-N -1 1 384.469 1.673 20 0 GDADMM CC1(C)CCC[C@H]1C(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571249166 953301876 /nfs/dbraw/zinc/30/18/76/953301876.db2.gz FDVNQMVHYJVOBI-KBPBESRZSA-N -1 1 384.488 1.698 20 0 GDADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)N(C)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571249262 953302251 /nfs/dbraw/zinc/30/22/51/953302251.db2.gz GYZIBBAEEJHAPC-AUUYWEPGSA-N -1 1 384.488 1.766 20 0 GDADMM CC1(C)C(C(=O)N[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)CC2(C)C)C1(C)C ZINC001571249403 953304919 /nfs/dbraw/zinc/30/49/19/953304919.db2.gz IFRMCRZLBZHBJJ-LBPRGKRZSA-N -1 1 384.488 1.670 20 0 GDADMM CC1(C)C(C(=O)N[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)CC2(C)C)C1(C)C ZINC001571249403 953304921 /nfs/dbraw/zinc/30/49/21/953304921.db2.gz IFRMCRZLBZHBJJ-LBPRGKRZSA-N -1 1 384.488 1.670 20 0 GDADMM CC1(C)CCCC[C@H]1C(=O)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571250042 953308412 /nfs/dbraw/zinc/30/84/12/953308412.db2.gz NNRMXSFMSZHLMZ-AWEZNQCLSA-N -1 1 384.488 1.912 20 0 GDADMM CC1(C)CCCC[C@H]1C(=O)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571250042 953308417 /nfs/dbraw/zinc/30/84/17/953308417.db2.gz NNRMXSFMSZHLMZ-AWEZNQCLSA-N -1 1 384.488 1.912 20 0 GDADMM CC1(C)CC[C@H]1C(=O)NC[C@@H]1CCCCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571251383 953316780 /nfs/dbraw/zinc/31/67/80/953316780.db2.gz WVCLNGIPHODVIK-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CC[C@H]1C(=O)NC[C@@H]1CCCCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571251383 953316786 /nfs/dbraw/zinc/31/67/86/953316786.db2.gz WVCLNGIPHODVIK-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](NC(=O)C3(C)C(C)(C)C3(C)C)C2)n1 ZINC001571252276 953326388 /nfs/dbraw/zinc/32/63/88/953326388.db2.gz JNQYUZKBZSNQMC-GFCCVEGCSA-N -1 1 384.488 1.732 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)C3(C)C(C)(C)C3(C)C)C2)n1 ZINC001571252276 953326392 /nfs/dbraw/zinc/32/63/92/953326392.db2.gz JNQYUZKBZSNQMC-GFCCVEGCSA-N -1 1 384.488 1.732 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C2CCN(C(=O)[C@@H]3C[C@@H]3C(C)C)CC2)n1 ZINC001571252269 953326449 /nfs/dbraw/zinc/32/64/49/953326449.db2.gz JFPCPNCPHZFYKH-HUUCEWRRSA-N -1 1 384.488 1.684 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C2CCN(C(=O)[C@@H]3C[C@@H]3C(C)C)CC2)n1 ZINC001571252269 953326454 /nfs/dbraw/zinc/32/64/54/953326454.db2.gz JFPCPNCPHZFYKH-HUUCEWRRSA-N -1 1 384.488 1.684 20 0 GDADMM CN(C[C@@H]1CCCN(C(=O)[C@@H]2CCC2(C)C)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571252492 953328994 /nfs/dbraw/zinc/32/89/94/953328994.db2.gz NUXWIKJDPSXMEO-KBPBESRZSA-N -1 1 384.488 1.768 20 0 GDADMM CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N[C@H](Cc1ccncc1)C(=O)[O-] ZINC001593702330 954132861 /nfs/dbraw/zinc/13/28/61/954132861.db2.gz MNNJBEWLIVEMGR-MRXNPFEDSA-N -1 1 385.424 1.060 20 0 GDADMM CN(C)c1ccnc(CNC(=O)N2C[C@H](C(=O)[O-])C[C@H](c3cnn(C)c3)C2)c1 ZINC001593712728 954195483 /nfs/dbraw/zinc/19/54/83/954195483.db2.gz NOEVKYHIRWHWGP-UONOGXRCSA-N -1 1 386.456 1.281 20 0 GDADMM O=C([O-])CN1CC[C@@H](N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)C1=O ZINC000662204371 954379131 /nfs/dbraw/zinc/37/91/31/954379131.db2.gz ULUBWDDKKXFMOL-UKRRQHHQSA-N -1 1 388.399 1.741 20 0 GDADMM CN(CCN(C)C(=O)C1(C(=O)[O-])CC=CC1)CCN1C(=O)c2ccccc2C1=O ZINC001593750677 954405082 /nfs/dbraw/zinc/40/50/82/954405082.db2.gz GASBKYWDOCVOGD-UHFFFAOYSA-N -1 1 399.447 1.094 20 0 GDADMM O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cc1cccnc1Cl ZINC001594888310 954484794 /nfs/dbraw/zinc/48/47/94/954484794.db2.gz BXILPWAKSBJAOK-MWLCHTKSSA-N -1 1 393.749 1.400 20 0 GDADMM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)n1 ZINC000663140017 954530420 /nfs/dbraw/zinc/53/04/20/954530420.db2.gz VUODTLMJMWWYRB-UWVGGRQHSA-N -1 1 379.335 1.625 20 0 GDADMM 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GDADMM NC(=O)[C@H](c1ccc(Br)cc1F)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000289584037 532328791 /nfs/dbraw/zinc/32/87/91/532328791.db2.gz ZFTQWBGMYIXCRM-UFBFGSQYSA-N -1 1 398.236 1.406 20 0 GDADMM COCCCOC(=O)CSc1[nH]c(=O)cc(C(F)(F)F)c1-c1nn[n-]n1 ZINC000736987426 598842500 /nfs/dbraw/zinc/84/25/00/598842500.db2.gz HDEMVOLNGHBFEN-UHFFFAOYSA-N -1 1 393.347 1.658 20 0 GDADMM COC(=O)NCCC(=O)OCc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000736938144 598846567 /nfs/dbraw/zinc/84/65/67/598846567.db2.gz PQTIBVNYBNTQKT-UHFFFAOYSA-N -1 1 385.384 1.150 20 0 GDADMM NC(=O)C1CCN(c2cccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)c2)CC1 ZINC000737741029 598848749 /nfs/dbraw/zinc/84/87/49/598848749.db2.gz BVTHKTJRUWIIIV-UHFFFAOYSA-N -1 1 392.423 1.216 20 0 GDADMM NC(=O)C1CCN(c2cccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)c2)CC1 ZINC000737741029 598848750 /nfs/dbraw/zinc/84/87/50/598848750.db2.gz BVTHKTJRUWIIIV-UHFFFAOYSA-N -1 1 392.423 1.216 20 0 GDADMM Cc1oc(NC(=O)COC(=O)COc2cccc(C=O)c2)c(-c2nn[n-]n2)c1C ZINC000737553414 598849465 /nfs/dbraw/zinc/84/94/65/598849465.db2.gz VNLLPEXZTVZZMJ-UHFFFAOYSA-N -1 1 399.363 1.450 20 0 GDADMM CN(Cc1ccon1)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000736829952 598877186 /nfs/dbraw/zinc/87/71/86/598877186.db2.gz NDGLNESSESANMA-UHFFFAOYSA-N -1 1 388.331 1.694 20 0 GDADMM COC(=O)[C@H](OC(=O)c1c([O-])cc(F)cc1F)c1ccc(-c2nn[nH]n2)cc1 ZINC000736899003 598899232 /nfs/dbraw/zinc/89/92/32/598899232.db2.gz LWYYRTMORDEISB-CQSZACIVSA-N -1 1 390.302 1.922 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC[C@@H]1CCCC[C@H]1O ZINC000737486986 598953274 /nfs/dbraw/zinc/95/32/74/598953274.db2.gz HDWASJYZKYVMEZ-XJKSGUPXSA-N -1 1 398.471 1.126 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC[C@@H]1CCCC[C@H]1O ZINC000737486986 598953275 /nfs/dbraw/zinc/95/32/75/598953275.db2.gz HDWASJYZKYVMEZ-XJKSGUPXSA-N -1 1 398.471 1.126 20 0 GDADMM Cc1nc(C)n([C@@H]2CCCN(c3c4ccccc4nnc3-c3nnn[n-]3)C2)n1 ZINC000737474217 598967410 /nfs/dbraw/zinc/96/74/10/598967410.db2.gz PMIXJDZWAJIJRX-CYBMUJFWSA-N -1 1 376.428 1.860 20 0 GDADMM Cc1nc(C)n([C@@H]2CCCN(c3c4ccccc4nnc3-c3nn[n-]n3)C2)n1 ZINC000737474217 598967411 /nfs/dbraw/zinc/96/74/11/598967411.db2.gz PMIXJDZWAJIJRX-CYBMUJFWSA-N -1 1 376.428 1.860 20 0 GDADMM CCn1cnnc1[C@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000736722667 598963786 /nfs/dbraw/zinc/96/37/86/598963786.db2.gz QMQWCHNSCRHMRI-LBPRGKRZSA-N -1 1 376.428 1.805 20 0 GDADMM CCn1cnnc1[C@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000736722667 598963787 /nfs/dbraw/zinc/96/37/87/598963787.db2.gz QMQWCHNSCRHMRI-LBPRGKRZSA-N -1 1 376.428 1.805 20 0 GDADMM Cc1noc([C@H](C)N2CCN(c3c4ccccc4nnc3-c3nnn[n-]3)CC2)n1 ZINC000737535148 598967701 /nfs/dbraw/zinc/96/77/01/598967701.db2.gz UQDRZJOOKADKFH-NSHDSACASA-N -1 1 392.427 1.385 20 0 GDADMM Cc1noc([C@H](C)N2CCN(c3c4ccccc4nnc3-c3nn[n-]n3)CC2)n1 ZINC000737535148 598967706 /nfs/dbraw/zinc/96/77/06/598967706.db2.gz UQDRZJOOKADKFH-NSHDSACASA-N -1 1 392.427 1.385 20 0 GDADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc(-n2ccnc2)nc1 ZINC000737301406 598968877 /nfs/dbraw/zinc/96/88/77/598968877.db2.gz LXIYYPKNVADENI-UHFFFAOYSA-N -1 1 382.409 1.557 20 0 GDADMM Cn1ccnc1[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)cc1 ZINC000737616666 598985304 /nfs/dbraw/zinc/98/53/04/598985304.db2.gz VGHFFCBJWAEJEL-OAHLLOKOSA-N -1 1 378.371 1.654 20 0 GDADMM Cn1ccnc1[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)cc1 ZINC000737616666 598985306 /nfs/dbraw/zinc/98/53/06/598985306.db2.gz VGHFFCBJWAEJEL-OAHLLOKOSA-N -1 1 378.371 1.654 20 0 GDADMM COc1ccc(Br)c(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737065840 598994166 /nfs/dbraw/zinc/99/41/66/598994166.db2.gz PTWLHLQRWKSADE-UHFFFAOYSA-N -1 1 389.213 1.963 20 0 GDADMM COc1ccc(Br)c(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737065840 598994167 /nfs/dbraw/zinc/99/41/67/598994167.db2.gz PTWLHLQRWKSADE-UHFFFAOYSA-N -1 1 389.213 1.963 20 0 GDADMM Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)C2)nc1 ZINC000737355416 598994502 /nfs/dbraw/zinc/99/45/02/598994502.db2.gz GPADNOXBZAHSGE-CQSZACIVSA-N -1 1 392.423 1.456 20 0 GDADMM Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)C2)nc1 ZINC000737355416 598994503 /nfs/dbraw/zinc/99/45/03/598994503.db2.gz GPADNOXBZAHSGE-CQSZACIVSA-N -1 1 392.423 1.456 20 0 GDADMM CC(C)[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1nc(-c2cccnc2)no1 ZINC000735722829 599001681 /nfs/dbraw/zinc/00/16/81/599001681.db2.gz XZAOALRLBGJSSZ-CQSZACIVSA-N -1 1 391.395 1.834 20 0 GDADMM CC(C)[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1nc(-c2cccnc2)no1 ZINC000735722829 599001683 /nfs/dbraw/zinc/00/16/83/599001683.db2.gz XZAOALRLBGJSSZ-CQSZACIVSA-N -1 1 391.395 1.834 20 0 GDADMM COC(=O)CSCc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736930538 599003080 /nfs/dbraw/zinc/00/30/80/599003080.db2.gz HXRQLHZCTBULOV-UHFFFAOYSA-N -1 1 384.421 1.920 20 0 GDADMM COC(=O)CSCc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736930538 599003082 /nfs/dbraw/zinc/00/30/82/599003082.db2.gz HXRQLHZCTBULOV-UHFFFAOYSA-N -1 1 384.421 1.920 20 0 GDADMM O=C(Nc1ccc(F)cc1)[C@H]1CSCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738166352 599004857 /nfs/dbraw/zinc/00/48/57/599004857.db2.gz SERMFJQYIMRTEP-CQSZACIVSA-N -1 1 399.411 1.555 20 0 GDADMM O=C(Nc1ccc(F)cc1)[C@H]1CSCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738166352 599004859 /nfs/dbraw/zinc/00/48/59/599004859.db2.gz SERMFJQYIMRTEP-CQSZACIVSA-N -1 1 399.411 1.555 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000738258137 599021642 /nfs/dbraw/zinc/02/16/42/599021642.db2.gz FKPDZJREBBKVHX-AWEZNQCLSA-N -1 1 393.455 1.599 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000738258137 599021643 /nfs/dbraw/zinc/02/16/43/599021643.db2.gz FKPDZJREBBKVHX-AWEZNQCLSA-N -1 1 393.455 1.599 20 0 GDADMM CCc1nc(CN2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)cs1 ZINC000736704311 599025222 /nfs/dbraw/zinc/02/52/22/599025222.db2.gz LUOPHRNKMSQSHS-UHFFFAOYSA-N -1 1 384.469 1.239 20 0 GDADMM CCc1nc(CN2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)cs1 ZINC000736704311 599025225 /nfs/dbraw/zinc/02/52/25/599025225.db2.gz LUOPHRNKMSQSHS-UHFFFAOYSA-N -1 1 384.469 1.239 20 0 GDADMM CC(C)c1noc([C@@H](C)N2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)n1 ZINC000735953125 599031098 /nfs/dbraw/zinc/03/10/98/599031098.db2.gz OWJOSUYXIQQMOR-GFCCVEGCSA-N -1 1 397.443 1.287 20 0 GDADMM CC(C)c1noc([C@@H](C)N2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)n1 ZINC000735953125 599031100 /nfs/dbraw/zinc/03/11/00/599031100.db2.gz OWJOSUYXIQQMOR-GFCCVEGCSA-N -1 1 397.443 1.287 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000737199440 599039398 /nfs/dbraw/zinc/03/93/98/599039398.db2.gz HBCHGEFQZAXPLC-WQVCFCJDSA-N -1 1 386.456 1.446 20 0 GDADMM Cc1ccc([C@@H]2CCC[C@@H]2N(C)c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1 ZINC000822233860 599070513 /nfs/dbraw/zinc/07/05/13/599070513.db2.gz WONQHMXLICZCLL-GJZGRUSLSA-N -1 1 395.467 1.345 20 0 GDADMM O=C1N[C@H](c2cnc3c(-c4nnn[n-]4)cnn3c2)Nc2c3ccccc3sc21 ZINC000823541553 599120048 /nfs/dbraw/zinc/12/00/48/599120048.db2.gz QJRWTGYCEXALLO-CQSZACIVSA-N -1 1 389.404 1.978 20 0 GDADMM O=C1N[C@H](c2cnc3c(-c4nn[n-]n4)cnn3c2)Nc2c3ccccc3sc21 ZINC000823541553 599120050 /nfs/dbraw/zinc/12/00/50/599120050.db2.gz QJRWTGYCEXALLO-CQSZACIVSA-N -1 1 389.404 1.978 20 0 GDADMM CCOc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736653682 599132288 /nfs/dbraw/zinc/13/22/88/599132288.db2.gz KGONQYOVVRZYDQ-NSHDSACASA-N -1 1 382.380 1.844 20 0 GDADMM CCOc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736653682 599132289 /nfs/dbraw/zinc/13/22/89/599132289.db2.gz KGONQYOVVRZYDQ-NSHDSACASA-N -1 1 382.380 1.844 20 0 GDADMM CC1CCC(N(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)C2CC2)CC1 ZINC000736237049 599133830 /nfs/dbraw/zinc/13/38/30/599133830.db2.gz ODPYJXYKWOEGPB-UHFFFAOYSA-N -1 1 384.440 1.988 20 0 GDADMM CC1CCC(N(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)C2CC2)CC1 ZINC000736237049 599133832 /nfs/dbraw/zinc/13/38/32/599133832.db2.gz ODPYJXYKWOEGPB-UHFFFAOYSA-N -1 1 384.440 1.988 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)NC1(c2ccccc2)CCC1 ZINC000737909630 599139395 /nfs/dbraw/zinc/13/93/95/599139395.db2.gz WPGSCTLLRKYBDS-UHFFFAOYSA-N -1 1 378.392 1.614 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)NC1(c2ccccc2)CCC1 ZINC000737909630 599139397 /nfs/dbraw/zinc/13/93/97/599139397.db2.gz WPGSCTLLRKYBDS-UHFFFAOYSA-N -1 1 378.392 1.614 20 0 GDADMM COc1cccc(CNC(=O)[C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737130172 599141486 /nfs/dbraw/zinc/14/14/86/599141486.db2.gz DGZRACWHZVMXGX-LLVKDONJSA-N -1 1 382.380 1.132 20 0 GDADMM COc1cccc(CNC(=O)[C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737130172 599141488 /nfs/dbraw/zinc/14/14/88/599141488.db2.gz DGZRACWHZVMXGX-LLVKDONJSA-N -1 1 382.380 1.132 20 0 GDADMM CCOc1cccc(CNC(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736654000 599142242 /nfs/dbraw/zinc/14/22/42/599142242.db2.gz HIAVDSYMXTXAPJ-UHFFFAOYSA-N -1 1 382.380 1.134 20 0 GDADMM CCOc1cccc(CNC(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736654000 599142244 /nfs/dbraw/zinc/14/22/44/599142244.db2.gz HIAVDSYMXTXAPJ-UHFFFAOYSA-N -1 1 382.380 1.134 20 0 GDADMM COc1ccc(CCN2C(=O)C[C@H](N3CCC(C(=O)[O-])CC3)C2=O)cc1OC ZINC000739898279 596926820 /nfs/dbraw/zinc/92/68/20/596926820.db2.gz MODJDBINCLZKCM-HNNXBMFYSA-N -1 1 390.436 1.170 20 0 GDADMM O=C([O-])[C@H]1CC(C(=O)Nc2ccn(-c3ccncc3)n2)=NN1c1ccccc1 ZINC000740476567 597017072 /nfs/dbraw/zinc/01/70/72/597017072.db2.gz VAYOEPVLLDHRLU-MRXNPFEDSA-N -1 1 376.376 1.925 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCOc2ccc(Cl)cc21 ZINC000738352758 599237515 /nfs/dbraw/zinc/23/75/15/599237515.db2.gz AJFMFQZKRYPYTN-UHFFFAOYSA-N -1 1 378.801 1.503 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCOc2ccc(Cl)cc21 ZINC000738352758 599237518 /nfs/dbraw/zinc/23/75/18/599237518.db2.gz AJFMFQZKRYPYTN-UHFFFAOYSA-N -1 1 378.801 1.503 20 0 GDADMM O=C([O-])C[C@H]1CCCN(CC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000532882024 597087199 /nfs/dbraw/zinc/08/71/99/597087199.db2.gz VAWJHEAGEXDZTM-CYBMUJFWSA-N -1 1 391.424 1.683 20 0 GDADMM O=C([O-])c1ccc(CNC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000738499527 597302406 /nfs/dbraw/zinc/30/24/06/597302406.db2.gz RRXORTSGTPVYSZ-OAQYLSRUSA-N -1 1 383.448 1.821 20 0 GDADMM CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000818261530 597315365 /nfs/dbraw/zinc/31/53/65/597315365.db2.gz PEBOKEDVPQKUKM-UHFFFAOYSA-N -1 1 383.447 1.908 20 0 GDADMM COc1ccccc1[C@@H](CNC(=O)N1CCO[C@H](C(=O)[O-])C1)N1CCCC1 ZINC000738120034 597413057 /nfs/dbraw/zinc/41/30/57/597413057.db2.gz KKEBBAILRCVQOC-WBVHZDCISA-N -1 1 377.441 1.327 20 0 GDADMM C[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1cccc(Cl)c1Cl ZINC000736140638 599267993 /nfs/dbraw/zinc/26/79/93/599267993.db2.gz YEXSEVBUUJVXEI-SSDOTTSWSA-N -1 1 396.238 1.744 20 0 GDADMM CCc1cc2c(C[N@H+](CCNC(C)=O)[C@H](C)C(=O)[O-])cc(=O)oc2cc1[O-] ZINC000820479912 597680938 /nfs/dbraw/zinc/68/09/38/597680938.db2.gz HFEYBCGIKNSZMT-LLVKDONJSA-N -1 1 376.409 1.472 20 0 GDADMM CCc1cc2c(C[N@@H+](CCNC(C)=O)[C@H](C)C(=O)[O-])cc(=O)oc2cc1[O-] ZINC000820479912 597680939 /nfs/dbraw/zinc/68/09/39/597680939.db2.gz HFEYBCGIKNSZMT-LLVKDONJSA-N -1 1 376.409 1.472 20 0 GDADMM COc1ccc(CN2CCCN(C(=O)CN(CC(=O)[O-])C(C)C)CC2)cc1 ZINC000263583398 598078569 /nfs/dbraw/zinc/07/85/69/598078569.db2.gz ZVXCBANYCUQIDS-UHFFFAOYSA-N -1 1 377.485 1.525 20 0 GDADMM O=C([O-])c1cccc(CNC(=O)NC[C@H](O)CN2CCc3ccccc3C2)c1 ZINC000821442336 598191596 /nfs/dbraw/zinc/19/15/96/598191596.db2.gz SFKHUCWYXYGYPX-IBGZPJMESA-N -1 1 383.448 1.603 20 0 GDADMM NS(=O)(=O)c1ccc(N2CCN(Cc3cccc(C(=O)[O-])c3)CC2)cc1 ZINC000821364110 598210867 /nfs/dbraw/zinc/21/08/67/598210867.db2.gz NVTGNTXBYYKLHR-UHFFFAOYSA-N -1 1 375.450 1.354 20 0 GDADMM Cc1nc2ccccc2n1CCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737490169 598261141 /nfs/dbraw/zinc/26/11/41/598261141.db2.gz QTAUKAIAYMQOHF-UHFFFAOYSA-N -1 1 398.452 1.288 20 0 GDADMM Cc1nc2ccccc2n1CCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737490169 598261143 /nfs/dbraw/zinc/26/11/43/598261143.db2.gz QTAUKAIAYMQOHF-UHFFFAOYSA-N -1 1 398.452 1.288 20 0 GDADMM CN(CCOc1ccccc1Cl)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736804214 598261958 /nfs/dbraw/zinc/26/19/58/598261958.db2.gz JPANBDCUDBGSAK-UHFFFAOYSA-N -1 1 394.844 1.615 20 0 GDADMM CN(CCOc1ccccc1Cl)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736804214 598261960 /nfs/dbraw/zinc/26/19/60/598261960.db2.gz JPANBDCUDBGSAK-UHFFFAOYSA-N -1 1 394.844 1.615 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000738354610 598264829 /nfs/dbraw/zinc/26/48/29/598264829.db2.gz ICDNGUVECWFGKV-OAHLLOKOSA-N -1 1 390.400 1.163 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000738354610 598264832 /nfs/dbraw/zinc/26/48/32/598264832.db2.gz ICDNGUVECWFGKV-OAHLLOKOSA-N -1 1 390.400 1.163 20 0 GDADMM O=S(=O)(NCCCOCCc1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738339448 598267488 /nfs/dbraw/zinc/26/74/88/598267488.db2.gz QMNRTZFXGUGOPO-UHFFFAOYSA-N -1 1 388.453 1.189 20 0 GDADMM O=S(=O)(NCCCOCCc1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738339448 598267489 /nfs/dbraw/zinc/26/74/89/598267489.db2.gz QMNRTZFXGUGOPO-UHFFFAOYSA-N -1 1 388.453 1.189 20 0 GDADMM Nc1n[nH]c(CCCNC(=O)Nc2cc(F)c(F)cc2F)c1-c1nnn[n-]1 ZINC000737775992 598267774 /nfs/dbraw/zinc/26/77/74/598267774.db2.gz FWPABBWIZNQKJP-UHFFFAOYSA-N -1 1 381.322 1.344 20 0 GDADMM Nc1n[nH]c(CCCNC(=O)Nc2cc(F)c(F)cc2F)c1-c1nn[n-]n1 ZINC000737775992 598267776 /nfs/dbraw/zinc/26/77/76/598267776.db2.gz FWPABBWIZNQKJP-UHFFFAOYSA-N -1 1 381.322 1.344 20 0 GDADMM CN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)ccc21 ZINC000736844944 598283145 /nfs/dbraw/zinc/28/31/45/598283145.db2.gz GVPYWCCQNBSVRH-UHFFFAOYSA-N -1 1 384.421 1.577 20 0 GDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000737777260 598287351 /nfs/dbraw/zinc/28/73/51/598287351.db2.gz RQKFEMPOBQQSFZ-UHFFFAOYSA-N -1 1 378.183 1.483 20 0 GDADMM CCN(CC)S(=O)(=O)c1ccc(Sc2nccnc2-c2nn[n-]n2)nc1 ZINC000736533334 598339029 /nfs/dbraw/zinc/33/90/29/598339029.db2.gz ZIMRPHQYSWWXIY-UHFFFAOYSA-N -1 1 392.470 1.233 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)N2CCn3cnnc3C2)c1-c1nn[n-]n1 ZINC000737189751 598346022 /nfs/dbraw/zinc/34/60/22/598346022.db2.gz PXFNYGKFSLLBLZ-UHFFFAOYSA-N -1 1 383.441 1.109 20 0 GDADMM O[C@@H](CNc1nccnc1-c1nnn[n-]1)COc1ccc(C(F)(F)F)cc1 ZINC000738383130 598348831 /nfs/dbraw/zinc/34/88/31/598348831.db2.gz OTRRYXLBSFLBMO-JTQLQIEISA-N -1 1 381.318 1.527 20 0 GDADMM O[C@@H](CNc1nccnc1-c1nn[n-]n1)COc1ccc(C(F)(F)F)cc1 ZINC000738383130 598348832 /nfs/dbraw/zinc/34/88/32/598348832.db2.gz OTRRYXLBSFLBMO-JTQLQIEISA-N -1 1 381.318 1.527 20 0 GDADMM O=S(=O)(N[C@H](c1ccccc1)[C@H]1CCCO1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738329062 598357094 /nfs/dbraw/zinc/35/70/94/598357094.db2.gz MMJAWIPJOSXBIT-HZPDHXFCSA-N -1 1 386.437 1.460 20 0 GDADMM O=S(=O)(N[C@H](c1ccccc1)[C@H]1CCCO1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738329062 598357095 /nfs/dbraw/zinc/35/70/95/598357095.db2.gz MMJAWIPJOSXBIT-HZPDHXFCSA-N -1 1 386.437 1.460 20 0 GDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000737771105 598358553 /nfs/dbraw/zinc/35/85/53/598358553.db2.gz PXCZFLZQFHPZAJ-UHFFFAOYSA-N -1 1 382.365 1.186 20 0 GDADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(Cc2nc(-c3ccsc3)oc2C)c1 ZINC000736941198 598363348 /nfs/dbraw/zinc/36/33/48/598363348.db2.gz QSFMEDBFTONZAB-UHFFFAOYSA-N -1 1 398.404 1.888 20 0 GDADMM CCc1nn(CC(=O)c2ccc3c(c2)OCO3)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705569 598378032 /nfs/dbraw/zinc/37/80/32/598378032.db2.gz KOJDJTWGNRRVBQ-UHFFFAOYSA-N -1 1 382.380 1.160 20 0 GDADMM COc1ccc(NC(=S)NNc2oc(CC(C)C)nc2-c2nn[n-]n2)cn1 ZINC000737105421 598378874 /nfs/dbraw/zinc/37/88/74/598378874.db2.gz ZSKFESCOLCCVCS-UHFFFAOYSA-N -1 1 389.445 1.770 20 0 GDADMM CCc1nn(CC(=O)c2ccc3c(c2)CCO3)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706629 598379396 /nfs/dbraw/zinc/37/93/96/598379396.db2.gz YEVOLWKAWRVGKV-UHFFFAOYSA-N -1 1 380.408 1.366 20 0 GDADMM O=C(Nc1ccc2c(c1)OCO2)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC000738174519 598386199 /nfs/dbraw/zinc/38/61/99/598386199.db2.gz JERHGUHTAAWOEM-UHFFFAOYSA-N -1 1 394.395 1.241 20 0 GDADMM O=C(Nc1ccc2c(c1)OCO2)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC000738174519 598386201 /nfs/dbraw/zinc/38/62/01/598386201.db2.gz JERHGUHTAAWOEM-UHFFFAOYSA-N -1 1 394.395 1.241 20 0 GDADMM CN(C)C(=O)CN(C)C(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736746487 598400313 /nfs/dbraw/zinc/40/03/13/598400313.db2.gz JGOCIDOSGKVSCH-UHFFFAOYSA-N -1 1 398.398 1.958 20 0 GDADMM CN(C)C(=O)CN(C)C(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736746487 598400315 /nfs/dbraw/zinc/40/03/15/598400315.db2.gz JGOCIDOSGKVSCH-UHFFFAOYSA-N -1 1 398.398 1.958 20 0 GDADMM C[C@H](Oc1ccc(F)cc1Br)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000736174740 598404837 /nfs/dbraw/zinc/40/48/37/598404837.db2.gz OCBWDBUNNSOXME-LURJTMIESA-N -1 1 396.180 1.655 20 0 GDADMM Cc1cc(Oc2ncccc2-c2nn[n-]n2)ccc1NC(=O)C(=O)NC1CCC1 ZINC000737279240 598433581 /nfs/dbraw/zinc/43/35/81/598433581.db2.gz IDKYCDGAGBACPN-UHFFFAOYSA-N -1 1 393.407 1.970 20 0 GDADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000736950008 598470959 /nfs/dbraw/zinc/47/09/59/598470959.db2.gz WXZROMUOIHENKI-VIFPVBQESA-N -1 1 377.382 1.286 20 0 GDADMM CCCOc1ccc(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cn1 ZINC000736490210 598471606 /nfs/dbraw/zinc/47/16/06/598471606.db2.gz IFHKHALMAOESES-UHFFFAOYSA-N -1 1 392.416 1.668 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC(Oc2ccccc2)C1 ZINC000737200245 598505985 /nfs/dbraw/zinc/50/59/85/598505985.db2.gz KWTYPGCHCHDTSF-UHFFFAOYSA-N -1 1 394.435 1.807 20 0 GDADMM C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccccc1Oc1ncccc1-c1nn[n-]n1 ZINC000736235569 598535427 /nfs/dbraw/zinc/53/54/27/598535427.db2.gz GIFHEOHLFVLLEG-GXFFZTMASA-N -1 1 379.380 1.517 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)NC[C@@H](O)C(C)(C)C)c1-c1nn[n-]n1 ZINC000821989855 607358686 /nfs/dbraw/zinc/35/86/86/607358686.db2.gz MMERVJVQBGOCJN-GFCCVEGCSA-N -1 1 376.486 1.998 20 0 GDADMM C[C@@]1(c2ccc(CNc3ccc(Cl)c(-c4nnn[n-]4)n3)cc2)NC(=O)NC1=O ZINC000736223120 598578522 /nfs/dbraw/zinc/57/85/22/598578522.db2.gz MUOVQWCDHPOAIS-KRWDZBQOSA-N -1 1 398.814 1.582 20 0 GDADMM C[C@@]1(c2ccc(CNc3ccc(Cl)c(-c4nn[n-]n4)n3)cc2)NC(=O)NC1=O ZINC000736223120 598578523 /nfs/dbraw/zinc/57/85/23/598578523.db2.gz MUOVQWCDHPOAIS-KRWDZBQOSA-N -1 1 398.814 1.582 20 0 GDADMM CCCCN(CCOC)C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000736457482 598586352 /nfs/dbraw/zinc/58/63/52/598586352.db2.gz VYPGGOJJAJUNML-UHFFFAOYSA-N -1 1 376.461 1.792 20 0 GDADMM O=C(c1cc[nH]c1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000738255048 598590604 /nfs/dbraw/zinc/59/06/04/598590604.db2.gz QYLGVGIKHUXWHA-UHFFFAOYSA-N -1 1 380.368 1.405 20 0 GDADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[nH]n3)c2)cc1 ZINC000736877464 598593380 /nfs/dbraw/zinc/59/33/80/598593380.db2.gz LSJBSLPLNDPHQH-UHFFFAOYSA-N -1 1 376.373 1.166 20 0 GDADMM COCCS(=O)(=O)Nc1ccc(Oc2ncccc2-c2nn[n-]n2)cc1C ZINC000737014383 598627977 /nfs/dbraw/zinc/62/79/77/598627977.db2.gz OGJWMPZDMNXCRY-UHFFFAOYSA-N -1 1 390.425 1.751 20 0 GDADMM CCc1nn(CC(=O)N2CCC[C@H]3CCCC[C@H]32)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705951 598641745 /nfs/dbraw/zinc/64/17/45/598641745.db2.gz QLWLECFTFXZVJY-CZUORRHYSA-N -1 1 399.499 1.729 20 0 GDADMM CCn1cnnc1CCNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000736723638 598690186 /nfs/dbraw/zinc/69/01/86/598690186.db2.gz YVTSLLZEYLFIIT-UHFFFAOYSA-N -1 1 399.484 1.445 20 0 GDADMM CCCC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000736412450 598692851 /nfs/dbraw/zinc/69/28/51/598692851.db2.gz PFDHPOPDNBENSW-LLVKDONJSA-N -1 1 396.448 1.075 20 0 GDADMM Cc1cccc(C)c1-n1nnnc1Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000737390932 598719642 /nfs/dbraw/zinc/71/96/42/598719642.db2.gz WUDWDJXEPXWIAI-UHFFFAOYSA-N -1 1 399.418 1.822 20 0 GDADMM O=c1c(-c2nn[n-]n2)cn(Cc2nccn2CC(F)(F)F)c2ccccc12 ZINC000738372143 598720234 /nfs/dbraw/zinc/72/02/34/598720234.db2.gz OQPLCJKUXMYIHH-UHFFFAOYSA-N -1 1 375.314 1.989 20 0 GDADMM NC(=O)c1cccc(Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)c1 ZINC000737761115 598721589 /nfs/dbraw/zinc/72/15/89/598721589.db2.gz PTPRSNSJVYPLAY-UHFFFAOYSA-N -1 1 380.795 1.982 20 0 GDADMM Cc1noc(C)c1NC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000737533458 598726136 /nfs/dbraw/zinc/72/61/36/598726136.db2.gz AOIHIMOUIWGBQI-UHFFFAOYSA-N -1 1 399.415 1.691 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCC[C@@H](CCO)C1 ZINC000822458963 607366299 /nfs/dbraw/zinc/36/62/99/607366299.db2.gz KWYZCRBYTUNUMF-AWEZNQCLSA-N -1 1 398.471 1.080 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCC[C@@H](CCO)C1 ZINC000822458963 607366301 /nfs/dbraw/zinc/36/63/01/607366301.db2.gz KWYZCRBYTUNUMF-AWEZNQCLSA-N -1 1 398.471 1.080 20 0 GDADMM CC(C)c1ccc(N2CC[C@@H](C(=O)n3ncc(-c4nn[n-]n4)c3N)C2=O)cc1 ZINC000820192241 599318050 /nfs/dbraw/zinc/31/80/50/599318050.db2.gz GYTYUBUFADHPFP-CYBMUJFWSA-N -1 1 380.412 1.462 20 0 GDADMM COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821655204 599335560 /nfs/dbraw/zinc/33/55/60/599335560.db2.gz HBMIQGXJLUNPQS-NSHDSACASA-N -1 1 385.833 1.236 20 0 GDADMM CCCN(C[C@H]1CCCCO1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000821095153 599341777 /nfs/dbraw/zinc/34/17/77/599341777.db2.gz YZKCEGZXBBJKKC-GFCCVEGCSA-N -1 1 383.449 1.976 20 0 GDADMM CCCN(C[C@H]1CCCCO1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000821095153 599341780 /nfs/dbraw/zinc/34/17/80/599341780.db2.gz YZKCEGZXBBJKKC-GFCCVEGCSA-N -1 1 383.449 1.976 20 0 GDADMM NC(=O)CC[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000822864809 599343204 /nfs/dbraw/zinc/34/32/04/599343204.db2.gz MAHWOVVYRBNHGE-JTQLQIEISA-N -1 1 398.876 1.186 20 0 GDADMM O=C(CSCc1ccc(-c2nn[nH]n2)cc1)NC1(c2nn[n-]n2)CCCC1 ZINC000737933185 599344732 /nfs/dbraw/zinc/34/47/32/599344732.db2.gz UROXBJKSLCXSRD-UHFFFAOYSA-N -1 1 385.457 1.199 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCO[C@H](C(F)(F)F)C1 ZINC000823601251 599345523 /nfs/dbraw/zinc/34/55/23/599345523.db2.gz XVFVGFUJKUCRJE-JTQLQIEISA-N -1 1 397.766 1.472 20 0 GDADMM COc1ccccc1[C@@]1(C)C[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821882818 599350047 /nfs/dbraw/zinc/35/00/47/599350047.db2.gz LMIMZBUHKCWPOZ-NVXWUHKLSA-N -1 1 386.437 1.279 20 0 GDADMM COc1ccccc1[C@@]1(C)C[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821882818 599350050 /nfs/dbraw/zinc/35/00/50/599350050.db2.gz LMIMZBUHKCWPOZ-NVXWUHKLSA-N -1 1 386.437 1.279 20 0 GDADMM COc1cccc(O[C@@H](C)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000821871747 599363411 /nfs/dbraw/zinc/36/34/11/599363411.db2.gz CYHMWKMDJQHYGJ-NSHDSACASA-N -1 1 390.425 1.016 20 0 GDADMM COc1cccc(O[C@@H](C)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000821871747 599363414 /nfs/dbraw/zinc/36/34/14/599363414.db2.gz CYHMWKMDJQHYGJ-NSHDSACASA-N -1 1 390.425 1.016 20 0 GDADMM COc1ccc(O[C@@H](C)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000821839691 599367143 /nfs/dbraw/zinc/36/71/43/599367143.db2.gz XFGFMYUQRFKEQQ-NSHDSACASA-N -1 1 390.425 1.016 20 0 GDADMM COc1ccc(O[C@@H](C)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000821839691 599367147 /nfs/dbraw/zinc/36/71/47/599367147.db2.gz XFGFMYUQRFKEQQ-NSHDSACASA-N -1 1 390.425 1.016 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)NCc2ccc(=O)[nH]c2)c1-c1nn[n-]n1 ZINC000737189574 599386454 /nfs/dbraw/zinc/38/64/54/599386454.db2.gz OVIDRTGUNAPJIT-UHFFFAOYSA-N -1 1 383.437 1.892 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCCC(=O)OC(C)(C)C)cc1-c1nn[n-]n1 ZINC000821979536 599400274 /nfs/dbraw/zinc/40/02/74/599400274.db2.gz SYQCUZTVYGVHGA-UHFFFAOYSA-N -1 1 380.430 1.151 20 0 GDADMM C[C@H](CC(N)=O)NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000820232843 599403579 /nfs/dbraw/zinc/40/35/79/599403579.db2.gz HNIUDIIIWATQNN-SNVBAGLBSA-N -1 1 384.371 1.792 20 0 GDADMM C[C@H](CC(N)=O)NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000820232843 599403582 /nfs/dbraw/zinc/40/35/82/599403582.db2.gz HNIUDIIIWATQNN-SNVBAGLBSA-N -1 1 384.371 1.792 20 0 GDADMM O=C(NCCc1cccs1)C1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000738087570 599420793 /nfs/dbraw/zinc/42/07/93/599420793.db2.gz JMMALAQMADYUEP-UHFFFAOYSA-N -1 1 383.481 1.899 20 0 GDADMM O=C(NCCc1cccs1)C1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000738087570 599420794 /nfs/dbraw/zinc/42/07/94/599420794.db2.gz JMMALAQMADYUEP-UHFFFAOYSA-N -1 1 383.481 1.899 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCc2ccccc2NC(C)=O)cc1-c1nn[n-]n1 ZINC000821978728 599450351 /nfs/dbraw/zinc/45/03/51/599450351.db2.gz MLYIVCKMDZIHDI-UHFFFAOYSA-N -1 1 399.436 1.578 20 0 GDADMM O=C(NCCC1CC1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000823182252 599467436 /nfs/dbraw/zinc/46/74/36/599467436.db2.gz KGEHOBAGRSDBBB-UHFFFAOYSA-N -1 1 398.427 1.746 20 0 GDADMM O=c1n(CCCNc2cc(-c3nnn[n-]3)nc3ccccc32)nc2n1CCCC2 ZINC000823664549 599484489 /nfs/dbraw/zinc/48/44/89/599484489.db2.gz ABJRADKDAGYAPM-UHFFFAOYSA-N -1 1 391.439 1.612 20 0 GDADMM O=c1n(CCCNc2cc(-c3nn[n-]n3)nc3ccccc32)nc2n1CCCC2 ZINC000823664549 599484492 /nfs/dbraw/zinc/48/44/92/599484492.db2.gz ABJRADKDAGYAPM-UHFFFAOYSA-N -1 1 391.439 1.612 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@@](C)(O)CCC(C)C ZINC000822004947 599488803 /nfs/dbraw/zinc/48/88/03/599488803.db2.gz MIZGMLUCROLPJE-IBGZPJMESA-N -1 1 390.488 1.820 20 0 GDADMM CCOC(=O)C1C(c2cccnc2)=NC(=S)N[C@H]1c1ccc(-c2nnn[n-]2)o1 ZINC000821321507 599492754 /nfs/dbraw/zinc/49/27/54/599492754.db2.gz YTGIIWNUPWRAAC-AWEZNQCLSA-N -1 1 397.420 1.348 20 0 GDADMM CCOC(=O)C1C(c2cccnc2)=NC(=S)N[C@H]1c1ccc(-c2nn[n-]n2)o1 ZINC000821321507 599492757 /nfs/dbraw/zinc/49/27/57/599492757.db2.gz YTGIIWNUPWRAAC-AWEZNQCLSA-N -1 1 397.420 1.348 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000737548924 599575603 /nfs/dbraw/zinc/57/56/03/599575603.db2.gz QRKCHNSUSSDERX-NEPJUHHUSA-N -1 1 383.412 1.333 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000737548924 599575605 /nfs/dbraw/zinc/57/56/05/599575605.db2.gz QRKCHNSUSSDERX-NEPJUHHUSA-N -1 1 383.412 1.333 20 0 GDADMM CC1(C)CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CCO1 ZINC000736212565 599593040 /nfs/dbraw/zinc/59/30/40/599593040.db2.gz ADHHSIULYZMAEZ-UHFFFAOYSA-N -1 1 391.375 1.685 20 0 GDADMM O=C(OC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823397209 599626836 /nfs/dbraw/zinc/62/68/36/599626836.db2.gz SGUCOTRXOIYZJY-CQSZACIVSA-N -1 1 378.392 1.467 20 0 GDADMM O=C(OC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823397209 599626837 /nfs/dbraw/zinc/62/68/37/599626837.db2.gz SGUCOTRXOIYZJY-CQSZACIVSA-N -1 1 378.392 1.467 20 0 GDADMM CC(C)(C)OC(=O)CCCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000819928692 599683552 /nfs/dbraw/zinc/68/35/52/599683552.db2.gz VLSXTSAGWLBCQP-UHFFFAOYSA-N -1 1 385.421 1.406 20 0 GDADMM CC(C)(C)OC(=O)CCCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000819928692 599683553 /nfs/dbraw/zinc/68/35/53/599683553.db2.gz VLSXTSAGWLBCQP-UHFFFAOYSA-N -1 1 385.421 1.406 20 0 GDADMM O=C([O-])[C@H]1CCN(CC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)C1 ZINC000739274296 599712112 /nfs/dbraw/zinc/71/21/12/599712112.db2.gz PVKPZKXGNAHEDK-AWEZNQCLSA-N -1 1 377.466 1.221 20 0 GDADMM CCN1CCC(N(C)S(=O)(=O)c2cc(C(=O)OC)sc2C(=O)[O-])CC1 ZINC000737113401 599853479 /nfs/dbraw/zinc/85/34/79/599853479.db2.gz SPXDUAVTGCRCSX-UHFFFAOYSA-N -1 1 390.483 1.338 20 0 GDADMM O=C([O-])C1CCN(C(=O)CN2CCC([C@@H](O)c3ccc(F)cc3)CC2)CC1 ZINC000738545389 599867315 /nfs/dbraw/zinc/86/73/15/599867315.db2.gz ONGTUBKXGCBWHS-IBGZPJMESA-N -1 1 378.444 1.894 20 0 GDADMM COc1c(C)cnc(CN2CCC(N(C)C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)c1C ZINC000737840457 599923837 /nfs/dbraw/zinc/92/38/37/599923837.db2.gz UPOIIICSIDAEIO-HOTGVXAUSA-N -1 1 375.469 1.851 20 0 GDADMM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC(N(C)c2cccnn2)CC1 ZINC000736205365 599955936 /nfs/dbraw/zinc/95/59/36/599955936.db2.gz NSMKUZFXDKLYSD-CQSZACIVSA-N -1 1 375.473 1.089 20 0 GDADMM CC(C)CN1CCO[C@H](CNC(=O)NCCOc2ccc(C(=O)[O-])cc2)C1 ZINC000736443047 599957017 /nfs/dbraw/zinc/95/70/17/599957017.db2.gz LRUNLBRZQZYMBM-QGZVFWFLSA-N -1 1 379.457 1.420 20 0 GDADMM CC(C)CN1CCO[C@@H](CNC(=O)NCCOc2ccc(C(=O)[O-])cc2)C1 ZINC000736443046 599957055 /nfs/dbraw/zinc/95/70/55/599957055.db2.gz LRUNLBRZQZYMBM-KRWDZBQOSA-N -1 1 379.457 1.420 20 0 GDADMM CN1CCN(c2ncccc2CNC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)CC1 ZINC000737530309 600021014 /nfs/dbraw/zinc/02/10/14/600021014.db2.gz SNCKYGWUXUOTTA-UHFFFAOYSA-N -1 1 395.463 1.757 20 0 GDADMM COc1ccc(C[C@@]2(C)NC(=O)N(CN3CCCC[C@@H]3CC(=O)[O-])C2=O)cc1 ZINC000737984044 600077033 /nfs/dbraw/zinc/07/70/33/600077033.db2.gz FLQNPRDVJIZOIU-FOIQADDNSA-N -1 1 389.452 1.835 20 0 GDADMM C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CCC[C@@H](C(=O)[O-])C1 ZINC000262666470 600140804 /nfs/dbraw/zinc/14/08/04/600140804.db2.gz NMOTZRLLQSAREL-CHWSQXEVSA-N -1 1 383.470 1.061 20 0 GDADMM COC(=O)c1cccc(NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c1O ZINC000436850894 600177270 /nfs/dbraw/zinc/17/72/70/600177270.db2.gz JHDTXBURDZFBDE-UHFFFAOYSA-N -1 1 381.362 1.443 20 0 GDADMM COC(=O)c1cccc(NS(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)c1O ZINC000737714262 600177436 /nfs/dbraw/zinc/17/74/36/600177436.db2.gz RJLAQSGGNVOZMI-UHFFFAOYSA-N -1 1 395.389 1.833 20 0 GDADMM CNS(=O)(=O)CCCN1CCc2cc(OC)c(OC)cc2[C@@H]1CC(=O)[O-] ZINC000737552301 600285629 /nfs/dbraw/zinc/28/56/29/600285629.db2.gz KIMXZEPMGSXSMH-AWEZNQCLSA-N -1 1 386.470 1.017 20 0 GDADMM O=C([O-])[C@@H]1CC12CCN(CC(=O)NCc1ccccc1Cn1cccn1)CC2 ZINC000739279062 600294789 /nfs/dbraw/zinc/29/47/89/600294789.db2.gz QSVOSULRXILHPC-SFHVURJKSA-N -1 1 382.464 1.734 20 0 GDADMM COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000737587759 600332543 /nfs/dbraw/zinc/33/25/43/600332543.db2.gz TYQMSOYNXRULJD-IRXDYDNUSA-N -1 1 386.448 1.300 20 0 GDADMM CN(Cc1ccc(NC(=O)NCC(C)(C)N2CCN(C)CC2)cc1)C(=O)[O-] ZINC000737515924 600346831 /nfs/dbraw/zinc/34/68/31/600346831.db2.gz QGNNPPOJCCLRRJ-UHFFFAOYSA-N -1 1 377.489 1.944 20 0 GDADMM CC(C)N1CCO[C@@H](CN2CCN(C(=O)NC3CCC(C(=O)[O-])CC3)CC2)C1 ZINC000736474368 600358647 /nfs/dbraw/zinc/35/86/47/600358647.db2.gz LUGJGVJIZKAAQE-ABHNRTSZSA-N -1 1 396.532 1.066 20 0 GDADMM Cc1cc(N(C)CCN2CCN(c3ccccc3)CC2)n2nc(C(=O)[O-])nc2n1 ZINC000738402501 600365925 /nfs/dbraw/zinc/36/59/25/600365925.db2.gz VZUQFDAVRYZUNP-UHFFFAOYSA-N -1 1 395.467 1.389 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCCc2cnc(C)s2)cc1-c1nn[n-]n1 ZINC000821978295 607440079 /nfs/dbraw/zinc/44/00/79/607440079.db2.gz LLLYDAXFWLRAPT-UHFFFAOYSA-N -1 1 377.455 1.427 20 0 GDADMM CCN(CCC(=O)[O-])Cn1c2cc(S(=O)(=O)N(C)C)ccc2oc1=S ZINC000737096430 600426032 /nfs/dbraw/zinc/42/60/32/600426032.db2.gz OALJCBWMHHHLAZ-UHFFFAOYSA-N -1 1 387.483 1.968 20 0 GDADMM CN1CCN(c2cc(C(=O)N[C@H](C(=O)[O-])c3cc(F)ccc3F)ccn2)CC1 ZINC000737528284 600492550 /nfs/dbraw/zinc/49/25/50/600492550.db2.gz CAZFUJZSCKFIBG-KRWDZBQOSA-N -1 1 390.390 1.667 20 0 GDADMM COC(=O)c1cc(NC(=O)CN2CCN(C3CCC3)CC2)cc(C(=O)[O-])c1 ZINC000737666066 600508603 /nfs/dbraw/zinc/50/86/03/600508603.db2.gz KAOFHHQRJYXAKG-UHFFFAOYSA-N -1 1 375.425 1.280 20 0 GDADMM Cc1cccc(N2CCN(C(=O)CN(CCC(=O)[O-])C[C@@H]3CCCO3)CC2)c1 ZINC000738733426 600510143 /nfs/dbraw/zinc/51/01/43/600510143.db2.gz XDMDFCPHAQYHLX-IBGZPJMESA-N -1 1 389.496 1.599 20 0 GDADMM CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3cnccc3C(=O)[O-])cc21 ZINC000736133756 600514803 /nfs/dbraw/zinc/51/48/03/600514803.db2.gz DKNFDRFIKMIICP-UHFFFAOYSA-N -1 1 375.406 1.880 20 0 GDADMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000738344692 600553266 /nfs/dbraw/zinc/55/32/66/600553266.db2.gz FQCWLVOPPHDGBZ-INIZCTEOSA-N -1 1 382.482 1.615 20 0 GDADMM COC[C@@H]1CCCN([C@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C(=O)[O-])C1 ZINC000737751599 600614363 /nfs/dbraw/zinc/61/43/63/600614363.db2.gz HGDYCVJLYXXPFQ-CHWSQXEVSA-N -1 1 378.425 1.857 20 0 GDADMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cs1 ZINC000298880716 600675082 /nfs/dbraw/zinc/67/50/82/600675082.db2.gz YROUMKMYDQBKLV-UHFFFAOYSA-N -1 1 396.446 1.720 20 0 GDADMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(C(=O)N3CCC[C@@H](O)C3)c2)c[nH]1 ZINC000299600883 600678297 /nfs/dbraw/zinc/67/82/97/600678297.db2.gz MQNSHANEWPSBEO-CYBMUJFWSA-N -1 1 393.421 1.111 20 0 GDADMM CC[C@H](CO)NC(=O)c1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000265579404 600680774 /nfs/dbraw/zinc/68/07/74/600680774.db2.gz FWOARRQOADVSRI-LLVKDONJSA-N -1 1 398.462 1.748 20 0 GDADMM Cc1ccc([C@H](CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)N2CCCC2)cc1 ZINC000832922646 600730331 /nfs/dbraw/zinc/73/03/31/600730331.db2.gz CUGYVSJVQJCQEI-KRWDZBQOSA-N -1 1 392.481 1.392 20 0 GDADMM C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])cc2Br)CCN1C ZINC000388550046 600766865 /nfs/dbraw/zinc/76/68/65/600766865.db2.gz VZHHRPPOFSZNHJ-KOLCDFICSA-N -1 1 391.287 1.908 20 0 GDADMM CN(Cc1ccccc1)[C@H]1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000830856649 600786331 /nfs/dbraw/zinc/78/63/31/600786331.db2.gz NHTXCCBIQONBLS-KRWDZBQOSA-N -1 1 381.498 1.234 20 0 GDADMM CN(C)C1(CNS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)Cc2ccccc2C1 ZINC000830591830 600786647 /nfs/dbraw/zinc/78/66/47/600786647.db2.gz MRNRAUDMJCJHJL-UHFFFAOYSA-N -1 1 377.466 1.101 20 0 GDADMM Cc1nc([C@H]2CN(S(=O)(=O)c3cc(Cl)cc(C(=O)[O-])c3)CCO2)n[nH]1 ZINC000832991976 600789095 /nfs/dbraw/zinc/78/90/95/600789095.db2.gz UDGYZPZRQXDVBA-GFCCVEGCSA-N -1 1 386.817 1.227 20 0 GDADMM CCN1C[C@H](C)[C@H](NS(=O)(=O)c2cc(/C=C/C(=O)[O-])cc(OC)c2OC)C1 ZINC000829752243 600793265 /nfs/dbraw/zinc/79/32/65/600793265.db2.gz 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392.368 1.985 20 0 GDADMM CN(C)[C@H](CNC(=O)N(C)CCN1CCN(C(=O)[O-])CC1)c1cccc(F)c1 ZINC000739684806 602610713 /nfs/dbraw/zinc/61/07/13/602610713.db2.gz RNYHCZHKIIRKAC-QGZVFWFLSA-N -1 1 395.479 1.365 20 0 GDADMM CCCN(C(=O)NC[C@@H](C(C)C)N1CCN(C)CC1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739347652 602613208 /nfs/dbraw/zinc/61/32/08/602613208.db2.gz AMDIHLHKKCAFNU-SJORKVTESA-N -1 1 383.537 1.432 20 0 GDADMM CC(C)N(CCCNC(=O)N1CCC(CCN2CCOCC2)CC1)C(=O)[O-] ZINC000738848958 602631763 /nfs/dbraw/zinc/63/17/63/602631763.db2.gz NPMAJIPIXOFZMT-UHFFFAOYSA-N -1 1 384.521 1.909 20 0 GDADMM COc1ccccc1OCCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826221294 607577179 /nfs/dbraw/zinc/57/71/79/607577179.db2.gz YQDJADSGSMCDJP-UHFFFAOYSA-N -1 1 393.400 1.372 20 0 GDADMM C[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1nnc2ccccn21 ZINC000824640344 607579999 /nfs/dbraw/zinc/57/99/99/607579999.db2.gz GRYOBSWWLVKWFU-SECBINFHSA-N -1 1 388.388 1.088 20 0 GDADMM Cc1ccc(OCCNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c(C)c1 ZINC000826292222 607580308 /nfs/dbraw/zinc/58/03/08/607580308.db2.gz LWIRACMZNDFDDU-UHFFFAOYSA-N -1 1 391.428 1.980 20 0 GDADMM O=S(=O)(NCCc1ccc2c(c1)OCO2)c1cccc(F)c1-c1nnn[n-]1 ZINC000826491742 607580965 /nfs/dbraw/zinc/58/09/65/607580965.db2.gz YLEWURVCHWTEQY-UHFFFAOYSA-N -1 1 391.384 1.256 20 0 GDADMM O=S(=O)(NCCc1ccc2c(c1)OCO2)c1cccc(F)c1-c1nn[n-]n1 ZINC000826491742 607580968 /nfs/dbraw/zinc/58/09/68/607580968.db2.gz YLEWURVCHWTEQY-UHFFFAOYSA-N -1 1 391.384 1.256 20 0 GDADMM COc1ccnc(N2CCN(C(=O)c3csc(CNC(=O)[O-])n3)CC2)c1 ZINC000739986546 602703666 /nfs/dbraw/zinc/70/36/66/602703666.db2.gz VVZMRHKVRUVWQI-UHFFFAOYSA-N -1 1 377.426 1.277 20 0 GDADMM C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739173865 602761494 /nfs/dbraw/zinc/76/14/94/602761494.db2.gz GNOLOINZCINMJL-YCPHGPKFSA-N -1 1 391.468 1.483 20 0 GDADMM O=C([O-])NC[C@@H](C(=O)N1CCC(CCN2CCOCC2)CC1)c1ccccc1 ZINC000832402664 602771988 /nfs/dbraw/zinc/77/19/88/602771988.db2.gz KPSUPRPZGRCVGM-LJQANCHMSA-N -1 1 389.496 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ZINC000739206277 603192655 /nfs/dbraw/zinc/19/26/55/603192655.db2.gz YGPQXPDMJHFBEY-TVQRCGJNSA-N -1 1 377.376 1.730 20 0 GDADMM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000739206277 603192660 /nfs/dbraw/zinc/19/26/60/603192660.db2.gz YGPQXPDMJHFBEY-TVQRCGJNSA-N -1 1 377.376 1.730 20 0 GDADMM CN1CCN(C[C@H](NC(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)c2ccccc2)CC1 ZINC000739736561 603193590 /nfs/dbraw/zinc/19/35/90/603193590.db2.gz FSHAULUPHDRXLR-QRVBRYPASA-N -1 1 388.512 1.918 20 0 GDADMM O=C([O-])NCCNC(=O)[C@@H]1CCCN(C(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC000740660211 603196280 /nfs/dbraw/zinc/19/62/80/603196280.db2.gz OSQANJBSDRQFMY-CQSZACIVSA-N -1 1 385.424 1.313 20 0 GDADMM Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CN[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738921269 603246369 /nfs/dbraw/zinc/24/63/69/603246369.db2.gz GUQFSXFLBRDLBU-NEPJUHHUSA-N -1 1 390.893 1.437 20 0 GDADMM O=C([O-])N1CCC[C@H](NC(=O)NCCCN2CCN(c3ccccc3)CC2)C1 ZINC000739416664 603252801 /nfs/dbraw/zinc/25/28/01/603252801.db2.gz LSUNGSAXLSGUCN-KRWDZBQOSA-N -1 1 389.500 1.640 20 0 GDADMM COc1ccc(CN2CCN(C[C@@H]3CCN(C(=O)[O-])C3)CC2)c(OC)c1OC ZINC000739901977 603321698 /nfs/dbraw/zinc/32/16/98/603321698.db2.gz CMWASDUISOSSNM-HNNXBMFYSA-N -1 1 393.484 1.830 20 0 GDADMM O=C([O-])NC[C@H](C(=O)N1CCC(CN2CCOCC2)CC1)c1ccccc1 ZINC000832402641 603341730 /nfs/dbraw/zinc/34/17/30/603341730.db2.gz KEBMDGGKWIWICT-SFHVURJKSA-N -1 1 375.469 1.609 20 0 GDADMM O=S(=O)(NC[C@H](O)c1ccccc1F)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826489194 607625523 /nfs/dbraw/zinc/62/55/23/607625523.db2.gz JQQRQAZQTBVRSO-LBPRGKRZSA-N -1 1 397.819 1.671 20 0 GDADMM O=S(=O)(NC[C@H](O)c1ccccc1F)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826489194 607625525 /nfs/dbraw/zinc/62/55/25/607625525.db2.gz JQQRQAZQTBVRSO-LBPRGKRZSA-N -1 1 397.819 1.671 20 0 GDADMM COc1ccc([C@H](O)CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000826188649 607625996 /nfs/dbraw/zinc/62/59/96/607625996.db2.gz CEKNRXOJDCSQAL-CQSZACIVSA-N -1 1 393.400 1.026 20 0 GDADMM CN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000828266203 603398605 /nfs/dbraw/zinc/39/86/05/603398605.db2.gz DGFXLLPPHDXZAO-BZSNNMDCSA-N -1 1 386.448 1.998 20 0 GDADMM CCN(CC(=O)N[C@@]1(C(=O)OC)CCCN(Cc2ccccc2)C1)C(=O)[O-] ZINC000827002726 603444513 /nfs/dbraw/zinc/44/45/13/603444513.db2.gz QXIYCIVBHAUWNN-IBGZPJMESA-N -1 1 377.441 1.310 20 0 GDADMM COc1cccc([C@@H](O)CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826215219 607630804 /nfs/dbraw/zinc/63/08/04/607630804.db2.gz JNDRPVWJHLSYNU-ZDUSSCGKSA-N -1 1 393.400 1.026 20 0 GDADMM COc1cccc([C@@H](O)CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826215219 607630806 /nfs/dbraw/zinc/63/08/06/607630806.db2.gz JNDRPVWJHLSYNU-ZDUSSCGKSA-N -1 1 393.400 1.026 20 0 GDADMM CCCc1nc([C@@H]2CN(C(=O)NCCCN(C(=O)[O-])C(C)C)CCO2)n[nH]1 ZINC000826954365 603499849 /nfs/dbraw/zinc/49/98/49/603499849.db2.gz QRHXTTMPRACAKN-ZDUSSCGKSA-N -1 1 382.465 1.619 20 0 GDADMM CCCc1n[nH]c([C@@H]2CN(C(=O)NCCCN(C(=O)[O-])C(C)C)CCO2)n1 ZINC000826954365 603499853 /nfs/dbraw/zinc/49/98/53/603499853.db2.gz QRHXTTMPRACAKN-ZDUSSCGKSA-N -1 1 382.465 1.619 20 0 GDADMM CCN(CC1CCN([C@@H](C)C(=O)N2CCC(C(=O)OC)CC2)CC1)C(=O)[O-] ZINC000827089066 603538866 /nfs/dbraw/zinc/53/88/66/603538866.db2.gz FDVSMZVNHHTGOW-AWEZNQCLSA-N -1 1 383.489 1.498 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N(C)CCCn2ccnc2C)cc1-c1nn[n-]n1 ZINC000826229994 607636062 /nfs/dbraw/zinc/63/60/62/607636062.db2.gz ZJGSSOOUDKDBQD-UHFFFAOYSA-N -1 1 388.457 1.356 20 0 GDADMM CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N[C@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000828042793 603563284 /nfs/dbraw/zinc/56/32/84/603563284.db2.gz PSJHPEMSIJPAEU-OCCSQVGLSA-N -1 1 377.445 1.405 20 0 GDADMM Cc1ccccc1[C@H](O)CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826305654 607638367 /nfs/dbraw/zinc/63/83/67/607638367.db2.gz DVDCASNGKPYIAG-CYBMUJFWSA-N -1 1 377.401 1.326 20 0 GDADMM Cc1ccccc1[C@H](O)CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826305654 607638368 /nfs/dbraw/zinc/63/83/68/607638368.db2.gz DVDCASNGKPYIAG-CYBMUJFWSA-N -1 1 377.401 1.326 20 0 GDADMM O=C([O-])N1CCN2C(=O)N(CN3CC[C@@H](COCc4ccccc4)C3)C[C@@H]2C1 ZINC000832042055 603608524 /nfs/dbraw/zinc/60/85/24/603608524.db2.gz JVOXMGBUZCAYDL-MSOLQXFVSA-N -1 1 388.468 1.582 20 0 GDADMM O=S(=O)(NC[C@H](CCO)c1ccccc1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826489674 607643213 /nfs/dbraw/zinc/64/32/13/607643213.db2.gz WYTCGORVZOTUPT-ZDUSSCGKSA-N -1 1 391.428 1.450 20 0 GDADMM O=C([O-])NC[C@H]1CCN(C(=O)NCC2(CN3CCOCC3)CCCCC2)C1 ZINC000832584550 603673353 /nfs/dbraw/zinc/67/33/53/603673353.db2.gz VNQWDWFEXHFKPT-MRXNPFEDSA-N -1 1 382.505 1.568 20 0 GDADMM COc1ccc(-c2n[nH]c(S[C@H]3CN(C(=O)[O-])CCC3=O)n2)c(OC)c1 ZINC000829252507 603682817 /nfs/dbraw/zinc/68/28/17/603682817.db2.gz VXLFWCJLTMHHEJ-ZDUSSCGKSA-N -1 1 378.410 1.902 20 0 GDADMM C[C@@H]1CCCN(CC(=O)N2CCN(Cc3ccco3)CC2)[C@@H]1CNC(=O)[O-] ZINC000825919841 603714390 /nfs/dbraw/zinc/71/43/90/603714390.db2.gz TWLXFGLBMKZUSA-NVXWUHKLSA-N -1 1 378.473 1.292 20 0 GDADMM O=C1CN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c2ccncc2N1 ZINC000826481554 607652939 /nfs/dbraw/zinc/65/29/39/607652939.db2.gz ZXTYQUFWLNVSHP-UHFFFAOYSA-N -1 1 391.800 1.063 20 0 GDADMM O=C1CN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c2ccncc2N1 ZINC000826481554 607652940 /nfs/dbraw/zinc/65/29/40/607652940.db2.gz ZXTYQUFWLNVSHP-UHFFFAOYSA-N -1 1 391.800 1.063 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000826494884 607653795 /nfs/dbraw/zinc/65/37/95/607653795.db2.gz TZQKZEVKWVTIMM-LLVKDONJSA-N -1 1 397.766 1.208 20 0 GDADMM CC(C)CN1CCO[C@H](CNC(=O)COc2ccc(N(C)C(=O)[O-])cc2)C1 ZINC000824257699 603779041 /nfs/dbraw/zinc/77/90/41/603779041.db2.gz UDQZDUUMWFLMFE-QGZVFWFLSA-N -1 1 379.457 1.653 20 0 GDADMM CC(C)[C@@H](CCN(C)[C@@H](C)C(=O)N1CCN(c2ccccn2)CC1)NC(=O)[O-] ZINC000824100606 603852808 /nfs/dbraw/zinc/85/28/08/603852808.db2.gz XBQILMPKLRHKRN-DLBZAZTESA-N -1 1 391.516 1.733 20 0 GDADMM NC(=O)c1cccc(C(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)c1 ZINC000831234649 603910832 /nfs/dbraw/zinc/91/08/32/603910832.db2.gz SWZKCCCPLXZESU-UHFFFAOYSA-N -1 1 380.364 1.591 20 0 GDADMM NC(=O)c1cccc(C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)c1 ZINC000831234649 603910835 /nfs/dbraw/zinc/91/08/35/603910835.db2.gz SWZKCCCPLXZESU-UHFFFAOYSA-N -1 1 380.364 1.591 20 0 GDADMM CC1(C)CN(C(=O)[O-])CCN1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000825729389 603915965 /nfs/dbraw/zinc/91/59/65/603915965.db2.gz VBIBDQOTDHCGSM-UHFFFAOYSA-N -1 1 375.473 1.195 20 0 GDADMM CC(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824228295 607661780 /nfs/dbraw/zinc/66/17/80/607661780.db2.gz HFHUYAJJHJLDIO-HZMBPMFUSA-N -1 1 385.877 1.860 20 0 GDADMM CC(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824228295 607661782 /nfs/dbraw/zinc/66/17/82/607661782.db2.gz HFHUYAJJHJLDIO-HZMBPMFUSA-N -1 1 385.877 1.860 20 0 GDADMM C[C@]1(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCCC[C@@H]1O ZINC000824822729 607662803 /nfs/dbraw/zinc/66/28/03/607662803.db2.gz GZXICZPWBPEWNF-SWLSCSKDSA-N -1 1 385.877 1.740 20 0 GDADMM C[C@]1(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCCC[C@@H]1O ZINC000824822729 607662804 /nfs/dbraw/zinc/66/28/04/607662804.db2.gz GZXICZPWBPEWNF-SWLSCSKDSA-N -1 1 385.877 1.740 20 0 GDADMM CCC(CC)(CNC(=O)NCc1ccnc(N2CCN(C)CC2)c1)NC(=O)[O-] ZINC000826532939 603983601 /nfs/dbraw/zinc/98/36/01/603983601.db2.gz KXPAVNFMDGHHOR-UHFFFAOYSA-N -1 1 392.504 1.459 20 0 GDADMM C[C@H](NC(=O)[O-])C1CCN(C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)CC1 ZINC000825281996 604001392 /nfs/dbraw/zinc/00/13/92/604001392.db2.gz WTECHHMPKOAEEI-NSHDSACASA-N -1 1 390.465 1.580 20 0 GDADMM CC(C)[C@H](CNC(=O)N1CCO[C@@H](c2nc(C(C)(C)C)n[nH]2)C1)NC(=O)[O-] ZINC000824118246 604002453 /nfs/dbraw/zinc/00/24/53/604002453.db2.gz UAOUEEPEFRLOEA-NWDGAFQWSA-N -1 1 382.465 1.477 20 0 GDADMM CC(C)[C@H](CNC(=O)N1CCO[C@@H](c2nnc(C(C)(C)C)[nH]2)C1)NC(=O)[O-] ZINC000824118246 604002457 /nfs/dbraw/zinc/00/24/57/604002457.db2.gz UAOUEEPEFRLOEA-NWDGAFQWSA-N -1 1 382.465 1.477 20 0 GDADMM O=C([O-])NC[C@@H]1CCCN(C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000832528933 604003692 /nfs/dbraw/zinc/00/36/92/604003692.db2.gz VUFOGNDIONUQMZ-NSHDSACASA-N -1 1 376.438 1.191 20 0 GDADMM CCCC[C@@H](CNC(=O)[O-])NC(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000826786763 604016620 /nfs/dbraw/zinc/01/66/20/604016620.db2.gz CLIORIZURMDGKQ-NSHDSACASA-N -1 1 378.454 1.628 20 0 GDADMM Cc1noc(C)c1CCCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826338865 607668168 /nfs/dbraw/zinc/66/81/68/607668168.db2.gz KGXXRBWMFCDVGT-UHFFFAOYSA-N -1 1 380.405 1.522 20 0 GDADMM Cc1noc(C)c1CCCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826338865 607668169 /nfs/dbraw/zinc/66/81/69/607668169.db2.gz KGXXRBWMFCDVGT-UHFFFAOYSA-N -1 1 380.405 1.522 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CC(OCC(F)F)C1 ZINC000826494451 607668309 /nfs/dbraw/zinc/66/83/09/607668309.db2.gz CSBVNJAJUKSSNQ-UHFFFAOYSA-N -1 1 379.776 1.175 20 0 GDADMM CC(C)[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC000824341783 607672022 /nfs/dbraw/zinc/67/20/22/607672022.db2.gz BUJPFBJGLIPUFQ-ZDUSSCGKSA-N -1 1 399.448 1.650 20 0 GDADMM CC(C)[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC000824341783 607672023 /nfs/dbraw/zinc/67/20/23/607672023.db2.gz BUJPFBJGLIPUFQ-ZDUSSCGKSA-N -1 1 399.448 1.650 20 0 GDADMM COc1cccc2c1CC[C@H]2NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826218214 607672575 /nfs/dbraw/zinc/67/25/75/607672575.db2.gz TWRMDAYJOHWEGW-CQSZACIVSA-N -1 1 389.412 1.980 20 0 GDADMM CC(C)(C)OC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824100779 607672803 /nfs/dbraw/zinc/67/28/03/607672803.db2.gz XNVKZECWBRUMRA-GFCCVEGCSA-N -1 1 397.432 1.501 20 0 GDADMM O=S(=O)(NCCOc1ncccc1Cl)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826491347 607673067 /nfs/dbraw/zinc/67/30/67/607673067.db2.gz FGHLKHCXWWFYKJ-UHFFFAOYSA-N -1 1 398.807 1.412 20 0 GDADMM O=C([O-])N1CCc2c(cccc2NC(=O)N2CCN(C[C@@H]3CCOC3)CC2)C1 ZINC000832080524 604142029 /nfs/dbraw/zinc/14/20/29/604142029.db2.gz YDPITOHXKDSBKN-HNNXBMFYSA-N -1 1 388.468 1.909 20 0 GDADMM O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1 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/nfs/dbraw/zinc/14/89/11/606148911.db2.gz VJZFTPGKAOPTON-UHFFFAOYSA-N -1 1 381.396 1.724 20 0 GDADMM Cc1cccc(NC(=O)CN(C)C(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1C ZINC000822323286 606156602 /nfs/dbraw/zinc/15/66/02/606156602.db2.gz DBFRQWQBTIJJIO-UHFFFAOYSA-N -1 1 383.416 1.319 20 0 GDADMM Cc1cccc(NC(=O)CN(C)C(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1C ZINC000822323286 606156603 /nfs/dbraw/zinc/15/66/03/606156603.db2.gz DBFRQWQBTIJJIO-UHFFFAOYSA-N -1 1 383.416 1.319 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCc2ccn(-c3ccc(F)cc3)n2)n1 ZINC000822619824 606159539 /nfs/dbraw/zinc/15/95/39/606159539.db2.gz HFRMXRFOKNWLKO-UHFFFAOYSA-N -1 1 396.390 1.289 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCc2ccn(-c3ccc(F)cc3)n2)n1 ZINC000822619824 606159540 /nfs/dbraw/zinc/15/95/40/606159540.db2.gz HFRMXRFOKNWLKO-UHFFFAOYSA-N -1 1 396.390 1.289 20 0 GDADMM CCCOc1ccc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1OC ZINC000821134262 606162437 /nfs/dbraw/zinc/16/24/37/606162437.db2.gz QVNHHJCQIAPERY-UHFFFAOYSA-N -1 1 386.416 1.719 20 0 GDADMM CCCOc1ccc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1OC ZINC000821134262 606162439 /nfs/dbraw/zinc/16/24/39/606162439.db2.gz QVNHHJCQIAPERY-UHFFFAOYSA-N -1 1 386.416 1.719 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)n1 ZINC000822609348 606164605 /nfs/dbraw/zinc/16/46/05/606164605.db2.gz MOFWVMRDOBOKBM-ZFWWWQNUSA-N -1 1 382.428 1.720 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)n1 ZINC000822609348 606164606 /nfs/dbraw/zinc/16/46/06/606164606.db2.gz MOFWVMRDOBOKBM-ZFWWWQNUSA-N -1 1 382.428 1.720 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCSCc2ccccc2F)n1 ZINC000822619674 606170725 /nfs/dbraw/zinc/17/07/25/606170725.db2.gz FCCPTRYOGWOSOC-UHFFFAOYSA-N -1 1 376.421 1.794 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCSCc2ccccc2F)n1 ZINC000822619674 606170726 /nfs/dbraw/zinc/17/07/26/606170726.db2.gz FCCPTRYOGWOSOC-UHFFFAOYSA-N -1 1 376.421 1.794 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)O[C@H](C)[C@H]1CCOC1 ZINC000822459832 606182438 /nfs/dbraw/zinc/18/24/38/606182438.db2.gz YHSDZGRURUVBMD-OLZOCXBDSA-N -1 1 385.428 1.427 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)O[C@H](C)[C@H]1CCOC1 ZINC000822459832 606182439 /nfs/dbraw/zinc/18/24/39/606182439.db2.gz YHSDZGRURUVBMD-OLZOCXBDSA-N -1 1 385.428 1.427 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC2(c3noc(C4CC4)n3)CCCC2)n1 ZINC000822609593 606195499 /nfs/dbraw/zinc/19/54/99/606195499.db2.gz RGLWODWFBHJMGT-UHFFFAOYSA-N -1 1 384.404 1.452 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC2(c3noc(C4CC4)n3)CCCC2)n1 ZINC000822609593 606195501 /nfs/dbraw/zinc/19/55/01/606195501.db2.gz RGLWODWFBHJMGT-UHFFFAOYSA-N -1 1 384.404 1.452 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)n1 ZINC000822609328 606195607 /nfs/dbraw/zinc/19/56/07/606195607.db2.gz MHSJPVQIGPDGLU-ZYHUDNBSSA-N -1 1 388.457 1.782 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)n1 ZINC000822609328 606195609 /nfs/dbraw/zinc/19/56/09/606195609.db2.gz MHSJPVQIGPDGLU-ZYHUDNBSSA-N -1 1 388.457 1.782 20 0 GDADMM CN(C[C@H](O)COCc1ccccc1)c1snc(Cl)c1-c1nnn[n-]1 ZINC000821595117 606239561 /nfs/dbraw/zinc/23/95/61/606239561.db2.gz NDCKLNUDWXPEFK-NSHDSACASA-N -1 1 380.861 1.991 20 0 GDADMM CN(C[C@H](O)COCc1ccccc1)c1snc(Cl)c1-c1nn[n-]n1 ZINC000821595117 606239563 /nfs/dbraw/zinc/23/95/63/606239563.db2.gz NDCKLNUDWXPEFK-NSHDSACASA-N -1 1 380.861 1.991 20 0 GDADMM Cc1ccc([C@H](CNC(=O)c2ccc(-c3nnn[n-]3)nc2)N2CCOCC2)s1 ZINC000822230620 606299111 /nfs/dbraw/zinc/29/91/11/606299111.db2.gz LPWNWCPOSIJGKB-HNNXBMFYSA-N -1 1 399.480 1.435 20 0 GDADMM Cc1ccc([C@H](CNC(=O)c2ccc(-c3nn[n-]n3)nc2)N2CCOCC2)s1 ZINC000822230620 606299112 /nfs/dbraw/zinc/29/91/12/606299112.db2.gz LPWNWCPOSIJGKB-HNNXBMFYSA-N -1 1 399.480 1.435 20 0 GDADMM COCCN1C(=O)N[C@@H](c2ccc(-c3nn[n-]n3)s2)C(C(=O)OC)=C1C ZINC000821690726 606394240 /nfs/dbraw/zinc/39/42/40/606394240.db2.gz XICVOSBIOXOMQQ-LBPRGKRZSA-N -1 1 378.414 1.088 20 0 GDADMM CC1(CNC(=O)C(=O)Nc2ccccc2Oc2ncccc2-c2nn[n-]n2)CC1 ZINC000820612156 606456356 /nfs/dbraw/zinc/45/63/56/606456356.db2.gz BLVUOBSRKNLDJN-UHFFFAOYSA-N -1 1 393.407 1.909 20 0 GDADMM CCS(=O)(=O)N(C)C1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000821440768 606466558 /nfs/dbraw/zinc/46/65/58/606466558.db2.gz BPFJVELCIYRZBW-UHFFFAOYSA-N -1 1 385.881 1.165 20 0 GDADMM CCS(=O)(=O)N(C)C1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000821440768 606466560 /nfs/dbraw/zinc/46/65/60/606466560.db2.gz BPFJVELCIYRZBW-UHFFFAOYSA-N -1 1 385.881 1.165 20 0 GDADMM O=C(Cn1nc(-c2ccccc2)ccc1=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823136066 606518920 /nfs/dbraw/zinc/51/89/20/606518920.db2.gz IKBLDAKFTXIRAS-UHFFFAOYSA-N -1 1 389.375 1.229 20 0 GDADMM O=C(Cn1nc(-c2ccccc2)ccc1=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823136066 606518922 /nfs/dbraw/zinc/51/89/22/606518922.db2.gz IKBLDAKFTXIRAS-UHFFFAOYSA-N -1 1 389.375 1.229 20 0 GDADMM C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820563645 606519915 /nfs/dbraw/zinc/51/99/15/606519915.db2.gz SJOUQFFDZARLCE-SECBINFHSA-N -1 1 392.466 1.409 20 0 GDADMM C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820563645 606519917 /nfs/dbraw/zinc/51/99/17/606519917.db2.gz SJOUQFFDZARLCE-SECBINFHSA-N -1 1 392.466 1.409 20 0 GDADMM O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823154762 606523923 /nfs/dbraw/zinc/52/39/23/606523923.db2.gz JFNOIWBTIBSQDL-SNVBAGLBSA-N -1 1 375.435 1.577 20 0 GDADMM O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)c1ccc(-c2nn[n-]n2)s1 ZINC000823154762 606523925 /nfs/dbraw/zinc/52/39/25/606523925.db2.gz JFNOIWBTIBSQDL-SNVBAGLBSA-N -1 1 375.435 1.577 20 0 GDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000823290044 606533492 /nfs/dbraw/zinc/53/34/92/606533492.db2.gz SKPMRUHKGNLSIO-LLVKDONJSA-N -1 1 381.400 1.472 20 0 GDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000823290044 606533493 /nfs/dbraw/zinc/53/34/93/606533493.db2.gz SKPMRUHKGNLSIO-LLVKDONJSA-N -1 1 381.400 1.472 20 0 GDADMM COc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1-n1nnnc1C ZINC000821835415 606546219 /nfs/dbraw/zinc/54/62/19/606546219.db2.gz KIOYYMBMOZXPGM-UHFFFAOYSA-N -1 1 383.397 1.473 20 0 GDADMM COc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1-n1nnnc1C ZINC000821835415 606546220 /nfs/dbraw/zinc/54/62/20/606546220.db2.gz KIOYYMBMOZXPGM-UHFFFAOYSA-N -1 1 383.397 1.473 20 0 GDADMM COc1ccc(CCNC(=O)c2ccc(-c3nnn[n-]3)s2)c(OC)c1OC ZINC000821790551 606546967 /nfs/dbraw/zinc/54/69/67/606546967.db2.gz QHAZEAGVSHBKAQ-UHFFFAOYSA-N -1 1 389.437 1.927 20 0 GDADMM COc1ccc(CCNC(=O)c2ccc(-c3nn[n-]n3)s2)c(OC)c1OC ZINC000821790551 606546968 /nfs/dbraw/zinc/54/69/68/606546968.db2.gz QHAZEAGVSHBKAQ-UHFFFAOYSA-N -1 1 389.437 1.927 20 0 GDADMM COC(=O)c1cc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)cn1C ZINC000821667801 606587235 /nfs/dbraw/zinc/58/72/35/606587235.db2.gz ARLOTJVQNQVNGB-UHFFFAOYSA-N -1 1 395.379 1.936 20 0 GDADMM COC(=O)c1cc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)cn1C ZINC000821667801 606587237 /nfs/dbraw/zinc/58/72/37/606587237.db2.gz ARLOTJVQNQVNGB-UHFFFAOYSA-N -1 1 395.379 1.936 20 0 GDADMM O=C(NC[C@@H](O)COc1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823165974 606596610 /nfs/dbraw/zinc/59/66/10/606596610.db2.gz COSRXKVVLUYUSG-MRVPVSSYSA-N -1 1 381.364 1.376 20 0 GDADMM O=C(NC[C@@H](O)COc1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823165974 606596612 /nfs/dbraw/zinc/59/66/12/606596612.db2.gz COSRXKVVLUYUSG-MRVPVSSYSA-N -1 1 381.364 1.376 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCc1nc(-c2cnccn2)no1 ZINC000822459245 606601124 /nfs/dbraw/zinc/60/11/24/606601124.db2.gz OTCATNSQBWLQBS-UHFFFAOYSA-N -1 1 389.383 1.151 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCc1nc(-c2cnccn2)no1 ZINC000822459245 606601125 /nfs/dbraw/zinc/60/11/25/606601125.db2.gz OTCATNSQBWLQBS-UHFFFAOYSA-N -1 1 389.383 1.151 20 0 GDADMM Cc1oc(NC(=O)COC(=O)CCOC2CCOCC2)c(-c2nn[n-]n2)c1C ZINC000822549404 606616171 /nfs/dbraw/zinc/61/61/71/606616171.db2.gz YZLDMRNRWOADNS-UHFFFAOYSA-N -1 1 393.400 1.144 20 0 GDADMM CC(C)(C)OC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000819921839 606617747 /nfs/dbraw/zinc/61/77/47/606617747.db2.gz BMKZXYJWZAFKSD-SNVBAGLBSA-N -1 1 397.432 1.358 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000823478582 606623596 /nfs/dbraw/zinc/62/35/96/606623596.db2.gz MNWDNEYWCIKUII-JSGCOSHPSA-N -1 1 386.437 1.288 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000823478582 606623598 /nfs/dbraw/zinc/62/35/98/606623598.db2.gz MNWDNEYWCIKUII-JSGCOSHPSA-N -1 1 386.437 1.288 20 0 GDADMM O=C(OCc1cn(-c2ccc(Cl)cc2)nn1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823440151 606623912 /nfs/dbraw/zinc/62/39/12/606623912.db2.gz FMSGDCAIGVOCKR-UHFFFAOYSA-N -1 1 382.771 1.853 20 0 GDADMM O=C(OCc1cn(-c2ccc(Cl)cc2)nn1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823440151 606623914 /nfs/dbraw/zinc/62/39/14/606623914.db2.gz FMSGDCAIGVOCKR-UHFFFAOYSA-N -1 1 382.771 1.853 20 0 GDADMM COC(=O)C[C@@H](NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1)C1CC1 ZINC000821658598 606625091 /nfs/dbraw/zinc/62/50/91/606625091.db2.gz BZHVOQDYCORQKW-GFCCVEGCSA-N -1 1 384.396 1.630 20 0 GDADMM COC(=O)C[C@@H](NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1)C1CC1 ZINC000821658598 606625092 /nfs/dbraw/zinc/62/50/92/606625092.db2.gz BZHVOQDYCORQKW-GFCCVEGCSA-N -1 1 384.396 1.630 20 0 GDADMM O=C(Cn1cccc(-c2nn[n-]n2)c1=O)Nc1ccnn1CC1CCCCC1 ZINC000823122811 606638017 /nfs/dbraw/zinc/63/80/17/606638017.db2.gz IPSZDSMFHPFTLY-UHFFFAOYSA-N -1 1 382.428 1.444 20 0 GDADMM CC[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)C(C)(C)c1ccccc1 ZINC000820925988 606643496 /nfs/dbraw/zinc/64/34/96/606643496.db2.gz OLSGSEMPUCDKGA-ZDUSSCGKSA-N -1 1 383.456 1.432 20 0 GDADMM CC(C)[C@@H](NC(=O)c1cccs1)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820027036 606646663 /nfs/dbraw/zinc/64/66/63/606646663.db2.gz PVOWHUUCMBLISP-CQSZACIVSA-N -1 1 386.437 1.821 20 0 GDADMM CC(C)[C@@H](NC(=O)c1cccs1)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820027036 606646664 /nfs/dbraw/zinc/64/66/64/606646664.db2.gz PVOWHUUCMBLISP-CQSZACIVSA-N -1 1 386.437 1.821 20 0 GDADMM CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000819802603 606646823 /nfs/dbraw/zinc/64/68/23/606646823.db2.gz GEFJLDJXKAUVIC-SFHVURJKSA-N -1 1 392.419 1.841 20 0 GDADMM CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000819802603 606646824 /nfs/dbraw/zinc/64/68/24/606646824.db2.gz GEFJLDJXKAUVIC-SFHVURJKSA-N -1 1 392.419 1.841 20 0 GDADMM COc1cc(NC(C)=O)c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1OC ZINC000821720034 606649255 /nfs/dbraw/zinc/64/92/55/606649255.db2.gz MJDIYQLBGGFWQR-UHFFFAOYSA-N -1 1 398.379 1.594 20 0 GDADMM COc1cc(NC(C)=O)c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1OC ZINC000821720034 606649256 /nfs/dbraw/zinc/64/92/56/606649256.db2.gz MJDIYQLBGGFWQR-UHFFFAOYSA-N -1 1 398.379 1.594 20 0 GDADMM Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000822236999 606652103 /nfs/dbraw/zinc/65/21/03/606652103.db2.gz AAVGODUYTNHSGC-QGZVFWFLSA-N -1 1 392.419 1.805 20 0 GDADMM Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000822236999 606652104 /nfs/dbraw/zinc/65/21/04/606652104.db2.gz AAVGODUYTNHSGC-QGZVFWFLSA-N -1 1 392.419 1.805 20 0 GDADMM CCC1(C(=O)N2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)COC1 ZINC000820944031 606666843 /nfs/dbraw/zinc/66/68/43/606666843.db2.gz GWAQCFKRLVRGQD-UHFFFAOYSA-N -1 1 399.411 1.190 20 0 GDADMM Cc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)c(OC[C@@H]2CCOC2)c1 ZINC000822238707 606689064 /nfs/dbraw/zinc/68/90/64/606689064.db2.gz QYTXFDRIUZSELP-CQSZACIVSA-N -1 1 394.435 1.915 20 0 GDADMM Cc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)c(OC[C@@H]2CCOC2)c1 ZINC000822238707 606689065 /nfs/dbraw/zinc/68/90/65/606689065.db2.gz QYTXFDRIUZSELP-CQSZACIVSA-N -1 1 394.435 1.915 20 0 GDADMM CCOC(=O)COCCn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21 ZINC000821330847 606703596 /nfs/dbraw/zinc/70/35/96/606703596.db2.gz UWXHLIQSHBQNKV-UHFFFAOYSA-N -1 1 377.788 1.415 20 0 GDADMM Cc1ccccc1NC(=S)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000822362184 606765354 /nfs/dbraw/zinc/76/53/54/606765354.db2.gz NLMOPHOCMFYOLM-CYBMUJFWSA-N -1 1 395.496 1.873 20 0 GDADMM Cc1ccccc1NC(=S)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000822362184 606765356 /nfs/dbraw/zinc/76/53/56/606765356.db2.gz NLMOPHOCMFYOLM-CYBMUJFWSA-N -1 1 395.496 1.873 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)Nc1ccc(F)cc1 ZINC000820789071 606767767 /nfs/dbraw/zinc/76/77/67/606767767.db2.gz VFOUJTLFOSIHAJ-LLVKDONJSA-N -1 1 383.391 1.538 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)Nc1ccc(F)cc1 ZINC000820789071 606767769 /nfs/dbraw/zinc/76/77/69/606767769.db2.gz VFOUJTLFOSIHAJ-LLVKDONJSA-N -1 1 383.391 1.538 20 0 GDADMM Cc1cccn2cc(CN3CCN(c4nccnc4-c4nnn[n-]4)C[C@@H]3C)nc12 ZINC000822366680 606781268 /nfs/dbraw/zinc/78/12/68/606781268.db2.gz SGBUIPRVUPBEGL-AWEZNQCLSA-N -1 1 390.455 1.324 20 0 GDADMM Cc1cccn2cc(CN3CCN(c4nccnc4-c4nn[n-]n4)C[C@@H]3C)nc12 ZINC000822366680 606781270 /nfs/dbraw/zinc/78/12/70/606781270.db2.gz SGBUIPRVUPBEGL-AWEZNQCLSA-N -1 1 390.455 1.324 20 0 GDADMM Cc1cc(C(=O)CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c(C)n1C ZINC000822160343 606785980 /nfs/dbraw/zinc/78/59/80/606785980.db2.gz GWYBFNDMXGYDGK-CYBMUJFWSA-N -1 1 395.471 1.005 20 0 GDADMM Cc1cc(C(=O)CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c(C)n1C ZINC000822160343 606785982 /nfs/dbraw/zinc/78/59/82/606785982.db2.gz GWYBFNDMXGYDGK-CYBMUJFWSA-N -1 1 395.471 1.005 20 0 GDADMM C[C@@H]1CCCC[C@H]1NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820706380 606786577 /nfs/dbraw/zinc/78/65/77/606786577.db2.gz ZJZSPIABOHMREM-HZSPNIEDSA-N -1 1 385.476 1.456 20 0 GDADMM C[C@@H]1CCCC[C@H]1NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820706380 606786579 /nfs/dbraw/zinc/78/65/79/606786579.db2.gz ZJZSPIABOHMREM-HZSPNIEDSA-N -1 1 385.476 1.456 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NC1CCCCCCC1 ZINC000820788523 606786995 /nfs/dbraw/zinc/78/69/95/606786995.db2.gz JFRCQVDHBLLNTL-AWEZNQCLSA-N -1 1 399.503 1.990 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NC1CCCCCCC1 ZINC000820788523 606786996 /nfs/dbraw/zinc/78/69/96/606786996.db2.gz JFRCQVDHBLLNTL-AWEZNQCLSA-N -1 1 399.503 1.990 20 0 GDADMM C[C@@H](NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)C1CCCC1 ZINC000820351230 606791565 /nfs/dbraw/zinc/79/15/65/606791565.db2.gz NCFNPLBLYYSOSR-QWHCGFSZSA-N -1 1 385.476 1.456 20 0 GDADMM C[C@@H](NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)C1CCCC1 ZINC000820351230 606791566 /nfs/dbraw/zinc/79/15/66/606791566.db2.gz NCFNPLBLYYSOSR-QWHCGFSZSA-N -1 1 385.476 1.456 20 0 GDADMM C[C@@H](NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1ccccc1 ZINC000820349798 606791905 /nfs/dbraw/zinc/79/19/05/606791905.db2.gz IKWZASMYFGZENJ-ZIAGYGMSSA-N -1 1 393.455 1.638 20 0 GDADMM C[C@@H](NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1ccccc1 ZINC000820349798 606791907 /nfs/dbraw/zinc/79/19/07/606791907.db2.gz IKWZASMYFGZENJ-ZIAGYGMSSA-N -1 1 393.455 1.638 20 0 GDADMM CC[C@H](C)C[C@@H](C)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820870151 606793914 /nfs/dbraw/zinc/79/39/14/606793914.db2.gz NVUUTLUCEQOPNP-MJBXVCDLSA-N -1 1 387.492 1.702 20 0 GDADMM CC[C@H](C)C[C@@H](C)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820870151 606793915 /nfs/dbraw/zinc/79/39/15/606793915.db2.gz NVUUTLUCEQOPNP-MJBXVCDLSA-N -1 1 387.492 1.702 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCCC(F)(F)F ZINC000820788195 606794259 /nfs/dbraw/zinc/79/42/59/606794259.db2.gz AEJGHEZMTCNVPA-JTQLQIEISA-N -1 1 399.381 1.219 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCCC(F)(F)F ZINC000820788195 606794261 /nfs/dbraw/zinc/79/42/61/606794261.db2.gz AEJGHEZMTCNVPA-JTQLQIEISA-N -1 1 399.381 1.219 20 0 GDADMM CSC(C)(C)CNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821943036 606795069 /nfs/dbraw/zinc/79/50/69/606795069.db2.gz SGPUZDPMMHXLNP-LLVKDONJSA-N -1 1 391.505 1.018 20 0 GDADMM CSC(C)(C)CNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821943036 606795072 /nfs/dbraw/zinc/79/50/72/606795072.db2.gz SGPUZDPMMHXLNP-LLVKDONJSA-N -1 1 391.505 1.018 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1ccsc1 ZINC000820777115 606818163 /nfs/dbraw/zinc/81/81/63/606818163.db2.gz PCWAPMIUCTVPQJ-LBPRGKRZSA-N -1 1 384.469 1.388 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1ccsc1 ZINC000820777115 606818164 /nfs/dbraw/zinc/81/81/64/606818164.db2.gz PCWAPMIUCTVPQJ-LBPRGKRZSA-N -1 1 384.469 1.388 20 0 GDADMM Cc1ccc(C)c(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1 ZINC000822230431 606820533 /nfs/dbraw/zinc/82/05/33/606820533.db2.gz GMNDHNIFDUAXHA-AWEZNQCLSA-N -1 1 378.440 1.624 20 0 GDADMM Cc1ccc(C)c(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1 ZINC000822230431 606820534 /nfs/dbraw/zinc/82/05/34/606820534.db2.gz GMNDHNIFDUAXHA-AWEZNQCLSA-N -1 1 378.440 1.624 20 0 GDADMM CSCCCCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821960585 606820575 /nfs/dbraw/zinc/82/05/75/606820575.db2.gz ALWFYMCMCPZMTH-LBPRGKRZSA-N -1 1 376.490 1.227 20 0 GDADMM CSCCCCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821960585 606820576 /nfs/dbraw/zinc/82/05/76/606820576.db2.gz ALWFYMCMCPZMTH-LBPRGKRZSA-N -1 1 376.490 1.227 20 0 GDADMM C[C@@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1cccs1 ZINC000819857638 606821383 /nfs/dbraw/zinc/82/13/83/606821383.db2.gz SZAGKJSDDHCHDV-VXGBXAGGSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1cccs1 ZINC000819857638 606821385 /nfs/dbraw/zinc/82/13/85/606821385.db2.gz SZAGKJSDDHCHDV-VXGBXAGGSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1scnc1Cl ZINC000820788857 606824737 /nfs/dbraw/zinc/82/47/37/606824737.db2.gz PRMYWXRLIINHFH-MRVPVSSYSA-N -1 1 391.848 1.118 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1scnc1Cl ZINC000820788857 606824738 /nfs/dbraw/zinc/82/47/38/606824738.db2.gz PRMYWXRLIINHFH-MRVPVSSYSA-N -1 1 391.848 1.118 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc(Cl)cc1 ZINC000820788316 606825008 /nfs/dbraw/zinc/82/50/08/606825008.db2.gz DBWANLZAOAYVNQ-NSHDSACASA-N -1 1 384.831 1.661 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc(Cl)cc1 ZINC000820788316 606825010 /nfs/dbraw/zinc/82/50/10/606825010.db2.gz DBWANLZAOAYVNQ-NSHDSACASA-N -1 1 384.831 1.661 20 0 GDADMM CC(C)CC[C@H](C)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820072953 606825913 /nfs/dbraw/zinc/82/59/13/606825913.db2.gz OTXFRDYZCOJSHW-UONOGXRCSA-N -1 1 387.492 1.702 20 0 GDADMM CC(C)CC[C@H](C)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820072953 606825915 /nfs/dbraw/zinc/82/59/15/606825915.db2.gz OTXFRDYZCOJSHW-UONOGXRCSA-N -1 1 387.492 1.702 20 0 GDADMM Cc1nn(-c2ccccc2)c(COC(=O)c2c[nH]c(C)cc2=O)c1-c1nn[n-]n1 ZINC000822159890 606830417 /nfs/dbraw/zinc/83/04/17/606830417.db2.gz FNZCJWPMTYLCAN-UHFFFAOYSA-N -1 1 391.391 1.715 20 0 GDADMM Cc1ncc(C=CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)s1 ZINC000822468076 606831880 /nfs/dbraw/zinc/83/18/80/606831880.db2.gz WXLNHQWJLONWBG-UFFNRZRYSA-N -1 1 397.468 1.172 20 0 GDADMM Cc1ncc(C=CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)s1 ZINC000822468076 606831882 /nfs/dbraw/zinc/83/18/82/606831882.db2.gz WXLNHQWJLONWBG-UFFNRZRYSA-N -1 1 397.468 1.172 20 0 GDADMM Cc1ccc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c(C)n1 ZINC000822248651 606836216 /nfs/dbraw/zinc/83/62/16/606836216.db2.gz HQGNJLSSYMFILM-GFCCVEGCSA-N -1 1 394.443 1.411 20 0 GDADMM Cc1ccc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c(C)n1 ZINC000822248651 606836218 /nfs/dbraw/zinc/83/62/18/606836218.db2.gz HQGNJLSSYMFILM-GFCCVEGCSA-N -1 1 394.443 1.411 20 0 GDADMM C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C[C@H](C(F)(F)F)O1 ZINC000820769855 606845076 /nfs/dbraw/zinc/84/50/76/606845076.db2.gz XJOPFCNEJVXNKA-WRWORJQWSA-N -1 1 395.338 1.346 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1c(F)cccc1F ZINC000820789153 606854876 /nfs/dbraw/zinc/85/48/76/606854876.db2.gz WNWAQODAZCSSSP-JTQLQIEISA-N -1 1 386.366 1.286 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1c(F)cccc1F ZINC000820789153 606854877 /nfs/dbraw/zinc/85/48/77/606854877.db2.gz WNWAQODAZCSSSP-JTQLQIEISA-N -1 1 386.366 1.286 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1c(F)cccc1F ZINC000820789154 606855131 /nfs/dbraw/zinc/85/51/31/606855131.db2.gz WNWAQODAZCSSSP-SNVBAGLBSA-N -1 1 386.366 1.286 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1c(F)cccc1F ZINC000820789154 606855133 /nfs/dbraw/zinc/85/51/33/606855133.db2.gz WNWAQODAZCSSSP-SNVBAGLBSA-N -1 1 386.366 1.286 20 0 GDADMM COC(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)c1 ZINC000821663953 606872092 /nfs/dbraw/zinc/87/20/92/606872092.db2.gz VZZPYZSECADNHQ-UHFFFAOYSA-N -1 1 387.421 1.691 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N[C@H]1CCCCC1(C)C ZINC000820788912 606873821 /nfs/dbraw/zinc/87/38/21/606873821.db2.gz RCRWZXPOYCJBPV-KGLIPLIRSA-N -1 1 399.503 1.846 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N[C@H]1CCCCC1(C)C ZINC000820788912 606873822 /nfs/dbraw/zinc/87/38/22/606873822.db2.gz RCRWZXPOYCJBPV-KGLIPLIRSA-N -1 1 399.503 1.846 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1ncnc2c1CCCC2 ZINC000820804210 606874694 /nfs/dbraw/zinc/87/46/94/606874694.db2.gz NYQSCQVABSENII-GFCCVEGCSA-N -1 1 378.444 1.041 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1ncnc2c1CCCC2 ZINC000820804210 606874695 /nfs/dbraw/zinc/87/46/95/606874695.db2.gz NYQSCQVABSENII-GFCCVEGCSA-N -1 1 378.444 1.041 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CC[C@H](Oc2ccccn2)C1 ZINC000823607803 606875443 /nfs/dbraw/zinc/87/54/43/606875443.db2.gz XKXCAXLMPCAVFO-NSHDSACASA-N -1 1 390.400 1.243 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CC[C@H](Oc2ccccn2)C1 ZINC000823607803 606875445 /nfs/dbraw/zinc/87/54/45/606875445.db2.gz XKXCAXLMPCAVFO-NSHDSACASA-N -1 1 390.400 1.243 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCN(c2cccs2)CC1 ZINC000823606899 606896578 /nfs/dbraw/zinc/89/65/78/606896578.db2.gz OYFDPVVALCESGH-UHFFFAOYSA-N -1 1 394.457 1.578 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCN(c2cccs2)CC1 ZINC000823606899 606896580 /nfs/dbraw/zinc/89/65/80/606896580.db2.gz OYFDPVVALCESGH-UHFFFAOYSA-N -1 1 394.457 1.578 20 0 GDADMM Cc1cc(Cl)cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1 ZINC000822201038 606923308 /nfs/dbraw/zinc/92/33/08/606923308.db2.gz NWWNSFJOALOHMT-LBPRGKRZSA-N -1 1 398.858 1.969 20 0 GDADMM Cc1cc(Cl)cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1 ZINC000822201038 606923310 /nfs/dbraw/zinc/92/33/10/606923310.db2.gz NWWNSFJOALOHMT-LBPRGKRZSA-N -1 1 398.858 1.969 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCO[C@@H](c2ccsc2)C1 ZINC000823601127 606942885 /nfs/dbraw/zinc/94/28/85/606942885.db2.gz SGHDKXFLKGIYKF-CQSZACIVSA-N -1 1 395.441 1.830 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)Nc2ncc(-c3nnn[n-]3)s2)C1 ZINC000819933155 607102536 /nfs/dbraw/zinc/10/25/36/607102536.db2.gz HWSAXMSTPBLCKR-HNNXBMFYSA-N -1 1 379.446 1.909 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)Nc2ncc(-c3nn[n-]n3)s2)C1 ZINC000819933155 607102538 /nfs/dbraw/zinc/10/25/38/607102538.db2.gz HWSAXMSTPBLCKR-HNNXBMFYSA-N -1 1 379.446 1.909 20 0 GDADMM C[C@@H]1[C@H](C)OCCN1CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000820819104 607104485 /nfs/dbraw/zinc/10/44/85/607104485.db2.gz FAGODEWOHYACLJ-OLZOCXBDSA-N -1 1 382.428 1.100 20 0 GDADMM C[C@@H]1[C@H](C)OCCN1CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000820819104 607104486 /nfs/dbraw/zinc/10/44/86/607104486.db2.gz FAGODEWOHYACLJ-OLZOCXBDSA-N -1 1 382.428 1.100 20 0 GDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000823379738 607105659 /nfs/dbraw/zinc/10/56/59/607105659.db2.gz GPNLGYIEOCDXMR-GFCCVEGCSA-N -1 1 383.437 1.814 20 0 GDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000823379738 607105660 /nfs/dbraw/zinc/10/56/60/607105660.db2.gz GPNLGYIEOCDXMR-GFCCVEGCSA-N -1 1 383.437 1.814 20 0 GDADMM O=C(Cc1cccs1)N1CCC[C@H]1C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000823380115 607110662 /nfs/dbraw/zinc/11/06/62/607110662.db2.gz QWXJWDAFDFSVSE-JTQLQIEISA-N -1 1 389.466 1.557 20 0 GDADMM O=C(Cc1cccs1)N1CCC[C@H]1C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000823380115 607110663 /nfs/dbraw/zinc/11/06/63/607110663.db2.gz QWXJWDAFDFSVSE-JTQLQIEISA-N -1 1 389.466 1.557 20 0 GDADMM O=S(=O)(N[C@@H]1CCOC2(CCCCC2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823572563 607144928 /nfs/dbraw/zinc/14/49/28/607144928.db2.gz IYCOKCNRDKYDNI-GFCCVEGCSA-N -1 1 378.458 1.422 20 0 GDADMM O=S(=O)(N[C@@H]1CCOC2(CCCCC2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823572563 607144930 /nfs/dbraw/zinc/14/49/30/607144930.db2.gz IYCOKCNRDKYDNI-GFCCVEGCSA-N -1 1 378.458 1.422 20 0 GDADMM CCOC(=O)[C@@]1(CCn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)CCCC1=O ZINC000821320111 607165724 /nfs/dbraw/zinc/16/57/24/607165724.db2.gz KMJUZXJNCZPIGR-HXUWFJFHSA-N -1 1 395.419 1.874 20 0 GDADMM CS[C@@H](CO)[C@@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000821948205 607186799 /nfs/dbraw/zinc/18/67/99/607186799.db2.gz BFHGQZNVRMYVOY-KOLCDFICSA-N -1 1 376.442 1.401 20 0 GDADMM CS[C@@H](CO)[C@@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000821948205 607186800 /nfs/dbraw/zinc/18/68/00/607186800.db2.gz BFHGQZNVRMYVOY-KOLCDFICSA-N -1 1 376.442 1.401 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C1CCC(C)(C)CC1 ZINC000820775448 607192333 /nfs/dbraw/zinc/19/23/33/607192333.db2.gz IGOKPKLPPJXMIS-CYBMUJFWSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C1CCC(C)(C)CC1 ZINC000820775448 607192334 /nfs/dbraw/zinc/19/23/34/607192334.db2.gz IGOKPKLPPJXMIS-CYBMUJFWSA-N -1 1 384.488 1.910 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(-n2cnc3ccccc32)cc1 ZINC000823131784 607206200 /nfs/dbraw/zinc/20/62/00/607206200.db2.gz ONTMSGDKARTEJQ-UHFFFAOYSA-N -1 1 386.379 1.436 20 0 GDADMM COC(=O)c1cc2ccccc2cc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821668700 607214012 /nfs/dbraw/zinc/21/40/12/607214012.db2.gz DYYZNZZMKVSXCP-UHFFFAOYSA-N -1 1 378.352 1.037 20 0 GDADMM CC(C)c1nn(-c2ccccc2)cc1CNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820206705 607223544 /nfs/dbraw/zinc/22/35/44/607223544.db2.gz WYJSBALBCCDCJT-UHFFFAOYSA-N -1 1 392.427 1.084 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000823126652 607224690 /nfs/dbraw/zinc/22/46/90/607224690.db2.gz LATWTLPAGWXRKN-GFCCVEGCSA-N -1 1 379.384 1.353 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000823126742 607224754 /nfs/dbraw/zinc/22/47/54/607224754.db2.gz MMVDSSFNCLAQMF-CYBMUJFWSA-N -1 1 380.412 1.411 20 0 GDADMM CC(=O)N1CC[C@H](NC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)[C@H](C)C1 ZINC000823973982 607772843 /nfs/dbraw/zinc/77/28/43/607772843.db2.gz NKONJBMWYDIQTB-RISCZKNCSA-N -1 1 397.439 1.546 20 0 GDADMM CC(=O)N1CC[C@H](NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)[C@H](C)C1 ZINC000823973982 607772844 /nfs/dbraw/zinc/77/28/44/607772844.db2.gz NKONJBMWYDIQTB-RISCZKNCSA-N -1 1 397.439 1.546 20 0 GDADMM CC(=O)N1CC[C@@H](NC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)[C@@H](C)C1 ZINC000823973984 607772916 /nfs/dbraw/zinc/77/29/16/607772916.db2.gz NKONJBMWYDIQTB-SMDDNHRTSA-N -1 1 397.439 1.546 20 0 GDADMM CC(=O)N1CC[C@@H](NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)[C@@H](C)C1 ZINC000823973984 607772917 /nfs/dbraw/zinc/77/29/17/607772917.db2.gz NKONJBMWYDIQTB-SMDDNHRTSA-N -1 1 397.439 1.546 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N(C)CC1(O)CCCC1 ZINC000826327348 607778009 /nfs/dbraw/zinc/77/80/09/607778009.db2.gz DMLFOACTCUBUCH-UHFFFAOYSA-N -1 1 398.471 1.222 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N(C)CC1(O)CCCC1 ZINC000826327348 607778010 /nfs/dbraw/zinc/77/80/10/607778010.db2.gz DMLFOACTCUBUCH-UHFFFAOYSA-N -1 1 398.471 1.222 20 0 GDADMM CN1C(=O)CCc2cc(C(=O)COC(=O)c3ccc(-c4nnn[n-]4)nc3)ccc21 ZINC000826011082 607804903 /nfs/dbraw/zinc/80/49/03/607804903.db2.gz WEUIRNWRPYASCO-UHFFFAOYSA-N -1 1 392.375 1.210 20 0 GDADMM CN1C(=O)CCc2cc(C(=O)COC(=O)c3ccc(-c4nn[n-]n4)nc3)ccc21 ZINC000826011082 607804904 /nfs/dbraw/zinc/80/49/04/607804904.db2.gz WEUIRNWRPYASCO-UHFFFAOYSA-N -1 1 392.375 1.210 20 0 GDADMM Cc1ccc(S(=O)(=O)Nc2cc(-c3nn[nH]n3)ccc2O)c(C)c1C(=O)[O-] ZINC000826292602 607809640 /nfs/dbraw/zinc/80/96/40/607809640.db2.gz CJWSLBCQTQRYKZ-UHFFFAOYSA-N -1 1 389.393 1.688 20 0 GDADMM O=S(=O)(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826488123 607818806 /nfs/dbraw/zinc/81/88/06/607818806.db2.gz IPLQFBLAVJBFAC-FZZIBODNSA-N -1 1 395.872 1.756 20 0 GDADMM O=S(=O)(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826488123 607818807 /nfs/dbraw/zinc/81/88/07/607818807.db2.gz IPLQFBLAVJBFAC-FZZIBODNSA-N -1 1 395.872 1.756 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(SCc2ccccc2)cn1 ZINC000826425837 607824606 /nfs/dbraw/zinc/82/46/06/607824606.db2.gz WABXNKUCWBPQPA-UHFFFAOYSA-N -1 1 393.436 1.784 20 0 GDADMM CC(=O)N1CC[C@@H](CN(C)S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000823972541 607852770 /nfs/dbraw/zinc/85/27/70/607852770.db2.gz CCJWNLBTQBQJRQ-NSHDSACASA-N -1 1 398.876 1.009 20 0 GDADMM CC(=O)N1CC[C@@H](CN(C)S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000823972541 607852771 /nfs/dbraw/zinc/85/27/71/607852771.db2.gz CCJWNLBTQBQJRQ-NSHDSACASA-N -1 1 398.876 1.009 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@@H](C)[C@H]2COc3ccccc32)cc1-c1nn[n-]n1 ZINC000826229986 607870425 /nfs/dbraw/zinc/87/04/25/607870425.db2.gz ZGNFGIUHPSYXGM-TVQRCGJNSA-N -1 1 398.448 1.984 20 0 GDADMM CC(C)(NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccccc1Br ZINC000824166727 607958122 /nfs/dbraw/zinc/95/81/22/607958122.db2.gz JFWAXWYGSBRKSA-UHFFFAOYSA-N -1 1 391.233 1.272 20 0 GDADMM Cc1nnnn1C(=Cc1ccccc1)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826337931 607997955 /nfs/dbraw/zinc/99/79/55/607997955.db2.gz GCZQHTJRYBAJOM-OQLLNIDSSA-N -1 1 389.379 1.504 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCOc2cccc(C(F)(F)F)n2)n1 ZINC000826357065 608008212 /nfs/dbraw/zinc/00/82/12/608008212.db2.gz PVDGAYDJHCEXSR-UHFFFAOYSA-N -1 1 397.321 1.215 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCOc2cccc(C(F)(F)F)n2)n1 ZINC000826357065 608008213 /nfs/dbraw/zinc/00/82/13/608008213.db2.gz PVDGAYDJHCEXSR-UHFFFAOYSA-N -1 1 397.321 1.215 20 0 GDADMM CCOC(=O)c1cc(CC)sc1NC(=O)Cn1ccnc1-c1nnn[n-]1 ZINC000825560949 608014147 /nfs/dbraw/zinc/01/41/47/608014147.db2.gz YBBFXTWSJSDMTN-UHFFFAOYSA-N -1 1 375.414 1.503 20 0 GDADMM CCOC(=O)c1cc(CC)sc1NC(=O)Cn1ccnc1-c1nn[n-]n1 ZINC000825560949 608014148 /nfs/dbraw/zinc/01/41/48/608014148.db2.gz YBBFXTWSJSDMTN-UHFFFAOYSA-N -1 1 375.414 1.503 20 0 GDADMM CC[C@@]1(C)COCCN1CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000825165258 608043478 /nfs/dbraw/zinc/04/34/78/608043478.db2.gz XFZSBORDVJCEIB-IBGZPJMESA-N -1 1 396.455 1.492 20 0 GDADMM CC[C@@]1(C)COCCN1CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000825165258 608043479 /nfs/dbraw/zinc/04/34/79/608043479.db2.gz XFZSBORDVJCEIB-IBGZPJMESA-N -1 1 396.455 1.492 20 0 GDADMM Cc1nncn1-c1cccc([N-]S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)c1 ZINC000826279779 608059380 /nfs/dbraw/zinc/05/93/80/608059380.db2.gz BRAICAOGVYSGDQ-UHFFFAOYSA-N -1 1 396.436 1.865 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2cc(Br)ccc2Cl)c1=O ZINC000826356965 608095742 /nfs/dbraw/zinc/09/57/42/608095742.db2.gz MHGIBICWZBSZKK-UHFFFAOYSA-N -1 1 397.620 1.191 20 0 GDADMM Cc1nccn1CCCOC(=O)CCc1c(C)[nH]c(=O)c(-c2nnn[n-]2)c1C ZINC000826232935 608107755 /nfs/dbraw/zinc/10/77/55/608107755.db2.gz NRPZATQPBLCPJF-UHFFFAOYSA-N -1 1 385.428 1.655 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H](C)c1nnc(C(C)C)[nH]1 ZINC000826232915 608108574 /nfs/dbraw/zinc/10/85/74/608108574.db2.gz MVVMGOYOCJBRBN-LLVKDONJSA-N -1 1 399.459 1.636 20 0 GDADMM O=S(=O)(N[C@H]1COc2cc(F)cc(F)c21)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826489245 608127033 /nfs/dbraw/zinc/12/70/33/608127033.db2.gz KWMANKHBDJJHEV-NSHDSACASA-N -1 1 397.338 1.696 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)O[C@H](C)CN1CCOCC1 ZINC000826340673 608143123 /nfs/dbraw/zinc/14/31/23/608143123.db2.gz HCGNNIPWTATJOH-GFCCVEGCSA-N -1 1 386.412 1.436 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)O[C@H](C)CN1CCOCC1 ZINC000826340673 608143124 /nfs/dbraw/zinc/14/31/24/608143124.db2.gz HCGNNIPWTATJOH-GFCCVEGCSA-N -1 1 386.412 1.436 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cc(-c2ccccc2)no1 ZINC000825929413 608211358 /nfs/dbraw/zinc/21/13/58/608211358.db2.gz FLXBCOKEYAKDKZ-UHFFFAOYSA-N -1 1 393.411 1.532 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cc(-c2ccccc2)no1 ZINC000825929413 608211361 /nfs/dbraw/zinc/21/13/61/608211361.db2.gz FLXBCOKEYAKDKZ-UHFFFAOYSA-N -1 1 393.411 1.532 20 0 GDADMM Cc1cccc2[nH]cc(CC(=O)N(C)CCCc3[nH]nc(N)c3-c3nnn[n-]3)c21 ZINC000826304600 608211994 /nfs/dbraw/zinc/21/19/94/608211994.db2.gz RENXUSAQBSEGEF-UHFFFAOYSA-N -1 1 393.455 1.595 20 0 GDADMM Cc1cccc2[nH]cc(CC(=O)N(C)CCCc3[nH]nc(N)c3-c3nn[n-]n3)c21 ZINC000826304600 608211996 /nfs/dbraw/zinc/21/19/96/608211996.db2.gz RENXUSAQBSEGEF-UHFFFAOYSA-N -1 1 393.455 1.595 20 0 GDADMM FC(F)Oc1ccc([C@@H]2CN(c3nccnc3-c3nnn[n-]3)CCO2)cc1 ZINC000826369813 608235873 /nfs/dbraw/zinc/23/58/73/608235873.db2.gz RMUUGTNKQBNFIY-LBPRGKRZSA-N -1 1 375.339 1.836 20 0 GDADMM FC(F)Oc1ccc([C@@H]2CN(c3nccnc3-c3nn[n-]n3)CCO2)cc1 ZINC000826369813 608235875 /nfs/dbraw/zinc/23/58/75/608235875.db2.gz RMUUGTNKQBNFIY-LBPRGKRZSA-N -1 1 375.339 1.836 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H](CC(F)F)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000824109858 608247911 /nfs/dbraw/zinc/24/79/11/608247911.db2.gz XEJUNKAFANCUIR-NSHDSACASA-N -1 1 398.370 1.853 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H](CC(F)F)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000824109858 608247912 /nfs/dbraw/zinc/24/79/12/608247912.db2.gz XEJUNKAFANCUIR-NSHDSACASA-N -1 1 398.370 1.853 20 0 GDADMM O=S(=O)(N[C@H](CO)c1ccc(Cl)cc1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826487629 608248074 /nfs/dbraw/zinc/24/80/74/608248074.db2.gz UYWPMRZAOSVWRS-GFCCVEGCSA-N -1 1 397.819 1.671 20 0 GDADMM O=S(=O)(N[C@H](CO)c1ccc(Cl)cc1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826487629 608248076 /nfs/dbraw/zinc/24/80/76/608248076.db2.gz UYWPMRZAOSVWRS-GFCCVEGCSA-N -1 1 397.819 1.671 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N2CCc3ccccc3C2)n1 ZINC000824142835 608339639 /nfs/dbraw/zinc/33/96/39/608339639.db2.gz XFGNVGFOPDCHCC-UHFFFAOYSA-N -1 1 394.439 1.342 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N2CCc3ccccc3C2)n1 ZINC000824142835 608339640 /nfs/dbraw/zinc/33/96/40/608339640.db2.gz XFGNVGFOPDCHCC-UHFFFAOYSA-N -1 1 394.439 1.342 20 0 GDADMM CC(C)(C)c1cc(NC(=O)CCN2CCCS2(=O)=O)c(-c2nnn[n-]2)s1 ZINC000824130958 608348477 /nfs/dbraw/zinc/34/84/77/608348477.db2.gz UFFDFAYKQBWFOZ-UHFFFAOYSA-N -1 1 398.514 1.590 20 0 GDADMM CC(C)(C)c1cc(NC(=O)CCN2CCCS2(=O)=O)c(-c2nn[n-]n2)s1 ZINC000824130958 608348478 /nfs/dbraw/zinc/34/84/78/608348478.db2.gz UFFDFAYKQBWFOZ-UHFFFAOYSA-N -1 1 398.514 1.590 20 0 GDADMM CN(CCOC(C)(C)C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825941209 608358705 /nfs/dbraw/zinc/35/87/05/608358705.db2.gz DVYJTBNEJXLXAP-UHFFFAOYSA-N -1 1 392.464 1.030 20 0 GDADMM CN(CCOC(C)(C)C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825941209 608358707 /nfs/dbraw/zinc/35/87/07/608358707.db2.gz DVYJTBNEJXLXAP-UHFFFAOYSA-N -1 1 392.464 1.030 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CCCN(CC(F)F)CC2)cc1-c1nn[n-]n1 ZINC000826229396 608385591 /nfs/dbraw/zinc/38/55/91/608385591.db2.gz CLTHUTCUUICEQB-UHFFFAOYSA-N -1 1 399.427 1.102 20 0 GDADMM O=C(CNc1ccc(-c2nnn[n-]2)nn1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000826414410 608409147 /nfs/dbraw/zinc/40/91/47/608409147.db2.gz UUTQEYQYWCHJNS-UHFFFAOYSA-N -1 1 399.846 1.071 20 0 GDADMM O=C(CNc1ccc(-c2nn[n-]n2)nn1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000826414410 608409148 /nfs/dbraw/zinc/40/91/48/608409148.db2.gz UUTQEYQYWCHJNS-UHFFFAOYSA-N -1 1 399.846 1.071 20 0 GDADMM C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000825012040 608419289 /nfs/dbraw/zinc/41/92/89/608419289.db2.gz CSKXBOFXDPVJQO-CMPLNLGQSA-N -1 1 390.448 1.829 20 0 GDADMM C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000825012040 608419290 /nfs/dbraw/zinc/41/92/90/608419290.db2.gz CSKXBOFXDPVJQO-CMPLNLGQSA-N -1 1 390.448 1.829 20 0 GDADMM O=[S@](Cc1cccc(Nc2ccc(-c3nnn[n-]3)nn2)c1)C1CCOCC1 ZINC000826496161 608420370 /nfs/dbraw/zinc/42/03/70/608420370.db2.gz MZJJCLUGOFVVTI-HHHXNRCGSA-N -1 1 385.453 1.828 20 0 GDADMM O=[S@](Cc1cccc(Nc2ccc(-c3nn[n-]n3)nn2)c1)C1CCOCC1 ZINC000826496161 608420371 /nfs/dbraw/zinc/42/03/71/608420371.db2.gz MZJJCLUGOFVVTI-HHHXNRCGSA-N -1 1 385.453 1.828 20 0 GDADMM Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826258865 608454222 /nfs/dbraw/zinc/45/42/22/608454222.db2.gz ZHAOVUPMVDIVEK-UHFFFAOYSA-N -1 1 398.448 1.961 20 0 GDADMM Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826258865 608454224 /nfs/dbraw/zinc/45/42/24/608454224.db2.gz ZHAOVUPMVDIVEK-UHFFFAOYSA-N -1 1 398.448 1.961 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cc2c(s1)CCOC2 ZINC000825935275 608556985 /nfs/dbraw/zinc/55/69/85/608556985.db2.gz YORWPMVGRYYHIX-UHFFFAOYSA-N -1 1 388.457 1.011 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cc2c(s1)CCOC2 ZINC000825935275 608556986 /nfs/dbraw/zinc/55/69/86/608556986.db2.gz YORWPMVGRYYHIX-UHFFFAOYSA-N -1 1 388.457 1.011 20 0 GDADMM CCCCN(CCCO)C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000825282690 608565876 /nfs/dbraw/zinc/56/58/76/608565876.db2.gz WLPXHOTWNRYJIC-UHFFFAOYSA-N -1 1 376.461 1.528 20 0 GDADMM Cc1ccc(OCC(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)s3)CC2)cc1 ZINC000826291939 608660243 /nfs/dbraw/zinc/66/02/43/608660243.db2.gz BTADBTQBARVYOR-UHFFFAOYSA-N -1 1 398.492 1.960 20 0 GDADMM CCc1ccc(O)c(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1 ZINC000825718099 608808858 /nfs/dbraw/zinc/80/88/58/608808858.db2.gz VZTKWDLARUWBRG-LBPRGKRZSA-N -1 1 394.439 1.276 20 0 GDADMM CCc1ccc(O)c(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1 ZINC000825718099 608808859 /nfs/dbraw/zinc/80/88/59/608808859.db2.gz VZTKWDLARUWBRG-LBPRGKRZSA-N -1 1 394.439 1.276 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cn2cccc(F)c2n1 ZINC000824999568 608834753 /nfs/dbraw/zinc/83/47/53/608834753.db2.gz HZKOLWITPFOJOW-LBPRGKRZSA-N -1 1 394.418 1.154 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1cn2cccc(F)c2n1 ZINC000824999568 608834756 /nfs/dbraw/zinc/83/47/56/608834756.db2.gz HZKOLWITPFOJOW-LBPRGKRZSA-N -1 1 394.418 1.154 20 0 GDADMM COc1ccc(OC)c([C@H]2CCCN2C(=O)Cn2ccnc2-c2nnn[n-]2)c1 ZINC000826211093 608890967 /nfs/dbraw/zinc/89/09/67/608890967.db2.gz OVTAYXLLRMKPLR-CQSZACIVSA-N -1 1 383.412 1.444 20 0 GDADMM COc1ccc(OC)c([C@H]2CCCN2C(=O)Cn2ccnc2-c2nn[n-]n2)c1 ZINC000826211093 608890968 /nfs/dbraw/zinc/89/09/68/608890968.db2.gz OVTAYXLLRMKPLR-CQSZACIVSA-N -1 1 383.412 1.444 20 0 GDADMM Cc1nc(C)c(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)s1 ZINC000826324075 609160473 /nfs/dbraw/zinc/16/04/73/609160473.db2.gz CQYLOBFRGISBHS-UHFFFAOYSA-N -1 1 376.450 1.342 20 0 GDADMM Cc1nc(C)c(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)s1 ZINC000826324075 609160475 /nfs/dbraw/zinc/16/04/75/609160475.db2.gz CQYLOBFRGISBHS-UHFFFAOYSA-N -1 1 376.450 1.342 20 0 GDADMM COCCNC(=O)[C@H](CC(C)C)Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000826160260 609165009 /nfs/dbraw/zinc/16/50/09/609165009.db2.gz LKLHNKOAVHFAAA-KRWDZBQOSA-N -1 1 383.456 1.426 20 0 GDADMM COCCNC(=O)[C@H](CC(C)C)Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000826160260 609165010 /nfs/dbraw/zinc/16/50/10/609165010.db2.gz LKLHNKOAVHFAAA-KRWDZBQOSA-N -1 1 383.456 1.426 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@H]1C1CCOCC1 ZINC000826495106 609182833 /nfs/dbraw/zinc/18/28/33/609182833.db2.gz COSGEWQPXZRQBK-HNNXBMFYSA-N -1 1 381.433 1.586 20 0 GDADMM CCOCCOC1CN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)C1 ZINC000825599377 609265994 /nfs/dbraw/zinc/26/59/94/609265994.db2.gz LOELOJVGSYDMEQ-UHFFFAOYSA-N -1 1 386.412 1.436 20 0 GDADMM CCOCCOC1CN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)C1 ZINC000825599377 609265995 /nfs/dbraw/zinc/26/59/95/609265995.db2.gz LOELOJVGSYDMEQ-UHFFFAOYSA-N -1 1 386.412 1.436 20 0 GDADMM C[C@@H]1CC[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)[C@H](C)C1 ZINC000824915978 609302277 /nfs/dbraw/zinc/30/22/77/609302277.db2.gz JBNFJTYXUPGNJQ-IJLUTSLNSA-N -1 1 375.481 1.571 20 0 GDADMM C[C@@H]1CC[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)[C@H](C)C1 ZINC000824915978 609302278 /nfs/dbraw/zinc/30/22/78/609302278.db2.gz JBNFJTYXUPGNJQ-IJLUTSLNSA-N -1 1 375.481 1.571 20 0 GDADMM C[C@@H]1CCC[C@@H](C)C1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824929389 609304229 /nfs/dbraw/zinc/30/42/29/609304229.db2.gz WZAANRPMFPHVET-GHMZBOCLSA-N -1 1 375.481 1.571 20 0 GDADMM C[C@@H]1CCC[C@@H](C)C1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824929389 609304231 /nfs/dbraw/zinc/30/42/31/609304231.db2.gz WZAANRPMFPHVET-GHMZBOCLSA-N -1 1 375.481 1.571 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@@H](OC(F)F)C1 ZINC000826495545 609318976 /nfs/dbraw/zinc/31/89/76/609318976.db2.gz SVSOXQBNJHNMPM-SECBINFHSA-N -1 1 377.348 1.398 20 0 GDADMM CN(C)C(=O)c1ccc(CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)[nH]1 ZINC000825846284 609319624 /nfs/dbraw/zinc/31/96/24/609319624.db2.gz UXMXHGPOQHUXKI-UHFFFAOYSA-N -1 1 395.402 1.834 20 0 GDADMM O=C(NCc1ccccn1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826443629 609360147 /nfs/dbraw/zinc/36/01/47/609360147.db2.gz XCZJPLLBSRRFFA-UHFFFAOYSA-N -1 1 379.359 1.908 20 0 GDADMM O=C(NCC1(O)CCCC1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826433588 609361594 /nfs/dbraw/zinc/36/15/94/609361594.db2.gz LGLWYJSCOLYNIR-UHFFFAOYSA-N -1 1 386.391 1.618 20 0 GDADMM O=C(NCCC1CC1)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826435975 609366470 /nfs/dbraw/zinc/36/64/70/609366470.db2.gz DBDBWJDDNPBKQT-UHFFFAOYSA-N -1 1 384.375 1.046 20 0 GDADMM CCC[C@@H]1C[C@H]1NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825252190 609368485 /nfs/dbraw/zinc/36/84/85/609368485.db2.gz HEBHSBUHGMGVDQ-ZYHUDNBSSA-N -1 1 398.402 1.435 20 0 GDADMM OCC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccccc1Br ZINC000826509540 609388868 /nfs/dbraw/zinc/38/88/68/609388868.db2.gz YIZIHEFOTPCQHG-NSHDSACASA-N -1 1 376.218 1.955 20 0 GDADMM OCC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccccc1Br ZINC000826509540 609388871 /nfs/dbraw/zinc/38/88/71/609388871.db2.gz YIZIHEFOTPCQHG-NSHDSACASA-N -1 1 376.218 1.955 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N(C)C[C@H]2CCCC[C@H]2O)cc1-c1nn[n-]n1 ZINC000826229770 609405121 /nfs/dbraw/zinc/40/51/21/609405121.db2.gz QUFJYQRQSBRIHM-BXKDBHETSA-N -1 1 378.458 1.312 20 0 GDADMM CC(C)[C@@H]1C[C@H](CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CCO1 ZINC000824216365 609415347 /nfs/dbraw/zinc/41/53/47/609415347.db2.gz QFVGQRJXQVNJJN-OCCSQVGLSA-N -1 1 390.492 1.404 20 0 GDADMM CC(C)[C@@H]1C[C@H](CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CCO1 ZINC000824216365 609415350 /nfs/dbraw/zinc/41/53/50/609415350.db2.gz QFVGQRJXQVNJJN-OCCSQVGLSA-N -1 1 390.492 1.404 20 0 GDADMM Cc1cc(N2C[C@H](C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CC2=O)ccc1F ZINC000826269192 609591663 /nfs/dbraw/zinc/59/16/63/609591663.db2.gz CYVODCVJPYDMBS-SNVBAGLBSA-N -1 1 384.375 1.039 20 0 GDADMM Cc1cc(N2C[C@H](C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CC2=O)ccc1F ZINC000826269192 609591666 /nfs/dbraw/zinc/59/16/66/609591666.db2.gz CYVODCVJPYDMBS-SNVBAGLBSA-N -1 1 384.375 1.039 20 0 GDADMM Cc1cc(N2C[C@@H](C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CC2=O)ccc1F ZINC000826269191 609591683 /nfs/dbraw/zinc/59/16/83/609591683.db2.gz CYVODCVJPYDMBS-JTQLQIEISA-N -1 1 384.375 1.039 20 0 GDADMM Cc1cc(N2C[C@@H](C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CC2=O)ccc1F ZINC000826269191 609591684 /nfs/dbraw/zinc/59/16/84/609591684.db2.gz CYVODCVJPYDMBS-JTQLQIEISA-N -1 1 384.375 1.039 20 0 GDADMM COCc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(S(N)(=O)=O)c2)cc1 ZINC000538136836 650307089 /nfs/dbraw/zinc/30/70/89/650307089.db2.gz GCIPQLQAPHRQHW-UHFFFAOYSA-N -1 1 386.451 1.290 20 0 GDADMM COCCCOCCN(C)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000539154768 650328966 /nfs/dbraw/zinc/32/89/66/650328966.db2.gz WIJGKEHGDUYSFQ-UHFFFAOYSA-N -1 1 376.475 1.482 20 0 GDADMM COC(=O)[C@H]([N-]S(=O)(=O)c1cnn(C)c1)c1ccc(OC(F)F)cc1 ZINC000539222880 650331267 /nfs/dbraw/zinc/33/12/67/650331267.db2.gz PRSFMNQXQJVPGI-GFCCVEGCSA-N -1 1 375.353 1.214 20 0 GDADMM Cn1[n-]c(CN2CCN(Cc3ccc(Br)c(F)c3)CC2)nc1=O ZINC000543436928 650422540 /nfs/dbraw/zinc/42/25/40/650422540.db2.gz XELDNOCPRGJUBP-UHFFFAOYSA-N -1 1 384.253 1.328 20 0 GDADMM C[C@H](c1ccc(Br)cc1)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC000543437675 650422572 /nfs/dbraw/zinc/42/25/72/650422572.db2.gz ONNLMSFVZNOONK-GFCCVEGCSA-N -1 1 380.290 1.750 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/nfs/dbraw/zinc/06/44/72/945064472.db2.gz XLMNYHQACQHJGW-HNNXBMFYSA-N -1 1 384.465 1.966 20 0 GDADMM Cc1ccccc1C[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737428454 945064484 /nfs/dbraw/zinc/06/44/84/945064484.db2.gz XLMNYHQACQHJGW-HNNXBMFYSA-N -1 1 384.465 1.966 20 0 GDADMM C[C@@H]1CN(Cc2ccc(CNC(=O)N[C@H](C(=O)[O-])C3CC3)cc2)C[C@H](C)O1 ZINC000908779225 939320503 /nfs/dbraw/zinc/32/05/03/939320503.db2.gz GVFXZBCBMITPNL-IYOUNJFTSA-N -1 1 375.469 1.958 20 0 GDADMM O=C([O-])[C@H](NC(=O)NCCN1CCCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000909110720 939382094 /nfs/dbraw/zinc/38/20/94/939382094.db2.gz QTEXYSYDZXFGMX-CQSZACIVSA-N -1 1 389.374 1.853 20 0 GDADMM C[C@H](Cc1cnc[nH]1)C(=O)N[C@@](C)(C(=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000630194477 939817367 /nfs/dbraw/zinc/81/73/67/939817367.db2.gz YLTFKYSANBVFBQ-PIGZYNQJSA-N -1 1 379.438 1.108 20 0 GDADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(-c4nn[nH]n4)cc3)cc2C[C@H]1C ZINC000368851148 944631962 /nfs/dbraw/zinc/63/19/62/944631962.db2.gz ONBSEOSQFXCNSO-LLVKDONJSA-N -1 1 398.448 1.965 20 0 GDADMM COC(=O)c1cc([N-]S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)ccc1F ZINC000736951257 944917511 /nfs/dbraw/zinc/91/75/11/944917511.db2.gz QAYZMHHYOUQGJM-UHFFFAOYSA-N -1 1 391.384 1.902 20 0 GDADMM CC[C@@H]1CN(C(=O)c2ccsn2)CC[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571261499 945427612 /nfs/dbraw/zinc/42/76/12/945427612.db2.gz GMJYXVXFKMGRHU-MNOVXSKESA-N -1 1 385.457 1.466 20 0 GDADMM CC[C@@H]1CN(C(=O)c2ccsn2)CC[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571261499 945427620 /nfs/dbraw/zinc/42/76/20/945427620.db2.gz GMJYXVXFKMGRHU-MNOVXSKESA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CCCCN1C(=O)c1cncs1 ZINC001571261831 945431320 /nfs/dbraw/zinc/43/13/20/945431320.db2.gz JTLOTMGEHXCPBO-WDEREUQCSA-N -1 1 385.457 1.030 20 0 GDADMM Cc1nc(C(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)[C@H]2C)sc1C ZINC001571262847 945443901 /nfs/dbraw/zinc/44/39/01/945443901.db2.gz AEHXXIGTTPEGRR-MWLCHTKSSA-N -1 1 385.457 1.445 20 0 GDADMM Cc1nc(C(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)[C@H]2C)sc1C ZINC001571262847 945443908 /nfs/dbraw/zinc/44/39/08/945443908.db2.gz AEHXXIGTTPEGRR-MWLCHTKSSA-N -1 1 385.457 1.445 20 0 GDADMM O=C(Cc1cncs1)N1CCC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571263067 945449519 /nfs/dbraw/zinc/44/95/19/945449519.db2.gz GVDKVGAAWILAJT-LLVKDONJSA-N -1 1 385.457 1.006 20 0 GDADMM O=C(Cc1cncs1)N1CCC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571263067 945449524 /nfs/dbraw/zinc/44/95/24/945449524.db2.gz GVDKVGAAWILAJT-LLVKDONJSA-N -1 1 385.457 1.006 20 0 GDADMM Cc1nsc(N2CC[C@H](NC(=O)c3ccncn3)C[C@@H]2C)c1-c1nn[n-]n1 ZINC001571263388 945458185 /nfs/dbraw/zinc/45/81/85/945458185.db2.gz OWTNNBUKTQVIOM-ONGXEEELSA-N -1 1 385.457 1.209 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)[C@@H](C)C2)ns1 ZINC001571263533 945461093 /nfs/dbraw/zinc/46/10/93/945461093.db2.gz SNOPFFQWRDRNHH-GXSJLCMTSA-N -1 1 385.457 1.209 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)[C@@H](C)C2)ns1 ZINC001571263533 945461094 /nfs/dbraw/zinc/46/10/94/945461094.db2.gz SNOPFFQWRDRNHH-GXSJLCMTSA-N -1 1 385.457 1.209 20 0 GDADMM Cc1nscc1C(=O)N[C@H]1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571263574 945461347 /nfs/dbraw/zinc/46/13/47/945461347.db2.gz UGADSYIFOVAJQI-QWRGUYRKSA-N -1 1 385.457 1.575 20 0 GDADMM Cc1nscc1C(=O)N[C@H]1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571263574 945461355 /nfs/dbraw/zinc/46/13/55/945461355.db2.gz UGADSYIFOVAJQI-QWRGUYRKSA-N -1 1 385.457 1.575 20 0 GDADMM O=C(c1cncc(Cl)c1)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571265830 945520689 /nfs/dbraw/zinc/52/06/89/945520689.db2.gz QCSVBGYXACOUJW-GFCCVEGCSA-N -1 1 385.819 1.422 20 0 GDADMM O=C(c1cncc(Cl)c1)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571265830 945520696 /nfs/dbraw/zinc/52/06/96/945520696.db2.gz QCSVBGYXACOUJW-GFCCVEGCSA-N -1 1 385.819 1.422 20 0 GDADMM O=C(c1ccco1)N1CCOC2(CN(Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001571269860 945624765 /nfs/dbraw/zinc/62/47/65/945624765.db2.gz FLILZVTVYKIMNY-UHFFFAOYSA-N -1 1 386.437 1.248 20 0 GDADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC001571269929 945626926 /nfs/dbraw/zinc/62/69/26/945626926.db2.gz IADHWPRCDXKLNP-ZWNOBZJWSA-N -1 1 386.437 1.939 20 0 GDADMM COc1csc(C(=O)NC[C@@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)c1 ZINC001571269915 945627787 /nfs/dbraw/zinc/62/77/87/945627787.db2.gz HSRTVQDWSJTONI-JTQLQIEISA-N -1 1 386.441 1.126 20 0 GDADMM COc1csc(C(=O)NC[C@@H]2CCCN2c2cncc(-c3nn[n-]n3)n2)c1 ZINC001571269915 945627793 /nfs/dbraw/zinc/62/77/93/945627793.db2.gz HSRTVQDWSJTONI-JTQLQIEISA-N -1 1 386.441 1.126 20 0 GDADMM COc1ccsc1C(=O)N(C)C1CC(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571269886 945628006 /nfs/dbraw/zinc/62/80/06/945628006.db2.gz GNNWDXXJQOBRDB-UHFFFAOYSA-N -1 1 386.441 1.442 20 0 GDADMM COc1ccsc1C(=O)N(C)C1CC(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571269886 945628010 /nfs/dbraw/zinc/62/80/10/945628010.db2.gz GNNWDXXJQOBRDB-UHFFFAOYSA-N -1 1 386.441 1.442 20 0 GDADMM O=C(Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1)[C@@H]1C[C@H]1c1ccsc1 ZINC001571270325 945634451 /nfs/dbraw/zinc/63/44/51/945634451.db2.gz QESGDUZWAYVTEF-WDEREUQCSA-N -1 1 386.441 1.230 20 0 GDADMM O=C(Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1)[C@@H]1C[C@H]1c1ccsc1 ZINC001571270325 945634457 /nfs/dbraw/zinc/63/44/57/945634457.db2.gz QESGDUZWAYVTEF-WDEREUQCSA-N -1 1 386.441 1.230 20 0 GDADMM COc1ccsc1C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)[C@@H]1C ZINC001571270373 945634474 /nfs/dbraw/zinc/63/44/74/945634474.db2.gz RSIMUBRFIFQFRQ-VHSXEESVSA-N -1 1 386.441 1.442 20 0 GDADMM COc1ccsc1C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)[C@@H]1C ZINC001571270373 945634479 /nfs/dbraw/zinc/63/44/79/945634479.db2.gz RSIMUBRFIFQFRQ-VHSXEESVSA-N -1 1 386.441 1.442 20 0 GDADMM Cc1nsc(N[C@H]2C[C@@H](NC(=O)c3cc(C4CC4)no3)C2)c1-c1nn[n-]n1 ZINC001571270678 945640312 /nfs/dbraw/zinc/64/03/12/945640312.db2.gz YOPYSKRUYYBXNI-AOOOYVTPSA-N -1 1 386.441 1.870 20 0 GDADMM CCn1nc(C)cc1C(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571272328 945659384 /nfs/dbraw/zinc/65/93/84/945659384.db2.gz RYOVWEYVCKFSHX-UHFFFAOYSA-N -1 1 386.485 1.409 20 0 GDADMM CCc1nc(NC[C@H]2CCCN2C(=O)[C@]2(C)CCOC2)cc(-c2nnn[n-]2)n1 ZINC001571272426 945662220 /nfs/dbraw/zinc/66/22/20/945662220.db2.gz DMWXNEFGFAPRFD-KZULUSFZSA-N -1 1 386.460 1.049 20 0 GDADMM CCc1nc(NC[C@H]2CCCN2C(=O)[C@]2(C)CCOC2)cc(-c2nn[n-]n2)n1 ZINC001571272426 945662227 /nfs/dbraw/zinc/66/22/27/945662227.db2.gz DMWXNEFGFAPRFD-KZULUSFZSA-N -1 1 386.460 1.049 20 0 GDADMM O=C(CC[C@H]1CCCCO1)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571273126 945679070 /nfs/dbraw/zinc/67/90/70/945679070.db2.gz PUZCCHHLNOFFBC-ZIAGYGMSSA-N -1 1 386.460 1.409 20 0 GDADMM O=C(CC[C@H]1CCCCO1)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571273126 945679075 /nfs/dbraw/zinc/67/90/75/945679075.db2.gz PUZCCHHLNOFFBC-ZIAGYGMSSA-N -1 1 386.460 1.409 20 0 GDADMM CCc1nc(NC[C@H]2CCCN2C(=O)[C@H]2CCCOC2)cc(-c2nnn[n-]2)n1 ZINC001571273470 945688349 /nfs/dbraw/zinc/68/83/49/945688349.db2.gz XYKLQTJWAYRCAI-QWHCGFSZSA-N -1 1 386.460 1.049 20 0 GDADMM CCc1nc(NC[C@H]2CCCN2C(=O)[C@H]2CCCOC2)cc(-c2nn[n-]n2)n1 ZINC001571273470 945688357 /nfs/dbraw/zinc/68/83/57/945688357.db2.gz XYKLQTJWAYRCAI-QWHCGFSZSA-N -1 1 386.460 1.049 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@@H]1CN(C(=O)CC2CCCC2)CCO1 ZINC001571275655 945711703 /nfs/dbraw/zinc/71/17/03/945711703.db2.gz ACZILAIHTDNPBF-OCCSQVGLSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@@H]1CN(C(=O)CC2CCCC2)CCO1 ZINC001571275655 945711710 /nfs/dbraw/zinc/71/17/10/945711710.db2.gz ACZILAIHTDNPBF-OCCSQVGLSA-N -1 1 386.460 1.265 20 0 GDADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC001571275899 945717764 /nfs/dbraw/zinc/71/77/64/945717764.db2.gz FEEUOCNWDKIPPA-FATJJJSSSA-N -1 1 386.456 1.677 20 0 GDADMM CC1(CC(=O)N2CCO[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)CCCC1 ZINC001571276585 945731782 /nfs/dbraw/zinc/73/17/82/945731782.db2.gz JBNDOYUNLGPSEJ-ZDUSSCGKSA-N -1 1 386.460 1.266 20 0 GDADMM CC1(CC(=O)N2CCO[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)CCCC1 ZINC001571276585 945731786 /nfs/dbraw/zinc/73/17/86/945731786.db2.gz JBNDOYUNLGPSEJ-ZDUSSCGKSA-N -1 1 386.460 1.266 20 0 GDADMM CCOC1CC(CC(=O)N2CC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001571276620 945735073 /nfs/dbraw/zinc/73/50/73/945735073.db2.gz JRWMBOHVZOXVEI-IYXRBSQSSA-N -1 1 386.460 1.122 20 0 GDADMM CCOC1CC(CC(=O)N2CC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001571276620 945735080 /nfs/dbraw/zinc/73/50/80/945735080.db2.gz JRWMBOHVZOXVEI-IYXRBSQSSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C(=O)N2CCO[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CCCCC1 ZINC001571277492 945742660 /nfs/dbraw/zinc/74/26/60/945742660.db2.gz KWVDYZXXPBYAMC-CYBMUJFWSA-N -1 1 386.460 1.266 20 0 GDADMM CC1(C(=O)N2CCO[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CCCCC1 ZINC001571277492 945742667 /nfs/dbraw/zinc/74/26/67/945742667.db2.gz KWVDYZXXPBYAMC-CYBMUJFWSA-N -1 1 386.460 1.266 20 0 GDADMM CC[C@H]1CN(C(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)[C@@H](CC)CN1C(C)=O ZINC001571279134 945771861 /nfs/dbraw/zinc/77/18/61/945771861.db2.gz JHZBPWPLDXYNAQ-STQMWFEESA-N -1 1 387.444 1.137 20 0 GDADMM Cc1cc(C(=O)NC[C@@H]2CCCN(c3snc(C)c3-c3nn[n-]n3)C2)[nH]n1 ZINC001571280993 945794323 /nfs/dbraw/zinc/79/43/23/945794323.db2.gz BEUKNFWBEORETB-NSHDSACASA-N -1 1 387.473 1.310 20 0 GDADMM CCn1cc(C(=O)N2CC[C@H](Nc3snc(C)c3-c3nn[n-]n3)C2)c(C)n1 ZINC001571281346 945800002 /nfs/dbraw/zinc/80/00/02/945800002.db2.gz GQGXYQYQNGEJSH-NSHDSACASA-N -1 1 387.473 1.483 20 0 GDADMM COc1cc(CC(=O)Nc2ncc(-c3nnn[n-]3)s2)cc(OC)c1OC ZINC000821712907 945847024 /nfs/dbraw/zinc/84/70/24/945847024.db2.gz MYPINMNAXJWHBZ-UHFFFAOYSA-N -1 1 376.398 1.530 20 0 GDADMM COc1cc(CC(=O)Nc2ncc(-c3nn[n-]n3)s2)cc(OC)c1OC ZINC000821712907 945847034 /nfs/dbraw/zinc/84/70/34/945847034.db2.gz MYPINMNAXJWHBZ-UHFFFAOYSA-N -1 1 376.398 1.530 20 0 GDADMM Cc1nsc(N[C@H]2C[C@@H](CNC(=O)c3ccncc3F)C2)c1-c1nn[n-]n1 ZINC001571286473 945947033 /nfs/dbraw/zinc/94/70/33/945947033.db2.gz IYCRMNXHVQYSCM-AOOOYVTPSA-N -1 1 388.432 1.786 20 0 GDADMM C[C@H]1CN(C(=O)c2sccc2F)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571286707 945955805 /nfs/dbraw/zinc/95/58/05/945955805.db2.gz PPAFSISIYLEQHZ-VHSXEESVSA-N -1 1 388.432 1.678 20 0 GDADMM C[C@H]1CN(C(=O)c2sccc2F)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571286707 945955815 /nfs/dbraw/zinc/95/58/15/945955815.db2.gz PPAFSISIYLEQHZ-VHSXEESVSA-N -1 1 388.432 1.678 20 0 GDADMM CC(C)(C)OC(=O)N1CC2(CCCC2)[C@H]1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001571286982 945965824 /nfs/dbraw/zinc/96/58/24/945965824.db2.gz XHEJGOFOQUNGAL-LLVKDONJSA-N -1 1 388.432 1.708 20 0 GDADMM CC(C)(C)OC(=O)N1CC2(CCCC2)[C@H]1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001571286982 945965830 /nfs/dbraw/zinc/96/58/30/945965830.db2.gz XHEJGOFOQUNGAL-LLVKDONJSA-N -1 1 388.432 1.708 20 0 GDADMM O=C(N1CCC(CCNc2ccnc(-c3nn[n-]n3)n2)CC1)C1(CF)CCC1 ZINC001571289361 946004378 /nfs/dbraw/zinc/00/43/78/946004378.db2.gz ANSPFBFKILOLGN-UHFFFAOYSA-N -1 1 388.451 1.259 20 0 GDADMM Cn1nc(C2CCOCC2)cc1NC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001571289792 946016875 /nfs/dbraw/zinc/01/68/75/946016875.db2.gz MOESXVLUYMPOFN-UHFFFAOYSA-N -1 1 388.457 1.877 20 0 GDADMM CCC(C)(CC)C(=O)N1CCO[C@@H]([C@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571289779 946018456 /nfs/dbraw/zinc/01/84/56/946018456.db2.gz MIMGGPQWGPBGNJ-GXTWGEPZSA-N -1 1 388.476 1.511 20 0 GDADMM CCC(C)(CC)C(=O)N1CCO[C@@H]([C@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571289779 946018467 /nfs/dbraw/zinc/01/84/67/946018467.db2.gz MIMGGPQWGPBGNJ-GXTWGEPZSA-N -1 1 388.476 1.511 20 0 GDADMM CO[C@H](C(=O)N1C[C@@H](C)[C@H](CCNc2nccnc2-c2nnn[n-]2)C1)C(C)C ZINC001571289829 946019182 /nfs/dbraw/zinc/01/91/82/946019182.db2.gz NGMCXTNXONWBGA-NFAWXSAZSA-N -1 1 388.476 1.224 20 0 GDADMM CO[C@H](C(=O)N1C[C@@H](C)[C@H](CCNc2nccnc2-c2nn[n-]n2)C1)C(C)C ZINC001571289829 946019189 /nfs/dbraw/zinc/01/91/89/946019189.db2.gz NGMCXTNXONWBGA-NFAWXSAZSA-N -1 1 388.476 1.224 20 0 GDADMM C[C@H]1CC[C@H](NC(=O)C2(F)CCCCC2)CN1c1cncc(-c2nnn[n-]2)n1 ZINC001571289980 946026132 /nfs/dbraw/zinc/02/61/32/946026132.db2.gz ROHCRAHCWOMBHT-STQMWFEESA-N -1 1 388.451 1.803 20 0 GDADMM C[C@H]1CC[C@H](NC(=O)C2(F)CCCCC2)CN1c1cncc(-c2nn[n-]n2)n1 ZINC001571289980 946026137 /nfs/dbraw/zinc/02/61/37/946026137.db2.gz ROHCRAHCWOMBHT-STQMWFEESA-N -1 1 388.451 1.803 20 0 GDADMM Cc1nsc(NC[C@H]2CN(C(=O)c3cc[nH]c3)CCCO2)c1-c1nn[n-]n1 ZINC001571290301 946037510 /nfs/dbraw/zinc/03/75/10/946037510.db2.gz ZVYYGADUCJQECI-LBPRGKRZSA-N -1 1 388.457 1.303 20 0 GDADMM CC1(C)CN(C(=O)c2ccoc2Cl)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571290530 946044197 /nfs/dbraw/zinc/04/41/97/946044197.db2.gz IBMKRSVLUGPRBF-LLVKDONJSA-N -1 1 388.819 1.866 20 0 GDADMM CC1(C)CN(C(=O)c2ccoc2Cl)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571290530 946044210 /nfs/dbraw/zinc/04/42/10/946044210.db2.gz IBMKRSVLUGPRBF-LLVKDONJSA-N -1 1 388.819 1.866 20 0 GDADMM Cc1nc2ncnn2c(C)c1CCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822467248 946098967 /nfs/dbraw/zinc/09/89/67/946098967.db2.gz KNQGWMVNCASRSC-UHFFFAOYSA-N -1 1 379.384 1.198 20 0 GDADMM Cc1nsc(N2CCCCC[C@H]2CNC(=O)c2cnon2)c1-c1nn[n-]n1 ZINC001571293268 946100921 /nfs/dbraw/zinc/10/09/21/946100921.db2.gz CVOOBZNOSNVSKK-JTQLQIEISA-N -1 1 389.445 1.194 20 0 GDADMM Cc1nsc(NC2CCN(C(=O)c3[nH]c(=O)[nH]c3C)CC2)c1-c1nn[n-]n1 ZINC001571293610 946110980 /nfs/dbraw/zinc/11/09/80/946110980.db2.gz MPEAHLZQAZWGLA-UHFFFAOYSA-N -1 1 389.445 1.085 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(C(F)F)o2)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571294444 946133705 /nfs/dbraw/zinc/13/37/05/946133705.db2.gz GPTGYXZWPUBSOR-WPRPVWTQSA-N -1 1 390.354 1.760 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(C(F)F)o2)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571294444 946133714 /nfs/dbraw/zinc/13/37/14/946133714.db2.gz GPTGYXZWPUBSOR-WPRPVWTQSA-N -1 1 390.354 1.760 20 0 GDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)N1CCn2ncc(Br)c2C1 ZINC001571294386 946134125 /nfs/dbraw/zinc/13/41/25/946134125.db2.gz DGLKLRLFGIRNSG-UHFFFAOYSA-N -1 1 390.205 1.268 20 0 GDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)N1CCn2ncc(Br)c2C1 ZINC001571294386 946134129 /nfs/dbraw/zinc/13/41/29/946134129.db2.gz DGLKLRLFGIRNSG-UHFFFAOYSA-N -1 1 390.205 1.268 20 0 GDADMM Cc1cc(C(F)F)oc1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571294621 946141398 /nfs/dbraw/zinc/14/13/98/946141398.db2.gz KDXACGKHUYAHNI-VIFPVBQESA-N -1 1 390.354 1.504 20 0 GDADMM Cc1cc(C(F)F)oc1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571294621 946141402 /nfs/dbraw/zinc/14/14/02/946141402.db2.gz KDXACGKHUYAHNI-VIFPVBQESA-N -1 1 390.354 1.504 20 0 GDADMM CC1(C)CN(C(=O)c2cc(Cl)no2)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571295007 946149292 /nfs/dbraw/zinc/14/92/92/946149292.db2.gz NIHPFIWMPZNZOD-SECBINFHSA-N -1 1 389.807 1.261 20 0 GDADMM CC1(C)CN(C(=O)c2cc(Cl)no2)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571295007 946149300 /nfs/dbraw/zinc/14/93/00/946149300.db2.gz NIHPFIWMPZNZOD-SECBINFHSA-N -1 1 389.807 1.261 20 0 GDADMM CN(C(=O)[C@H]1CC1(F)F)[C@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571294976 946150289 /nfs/dbraw/zinc/15/02/89/946150289.db2.gz RJUMSJMNELGPHN-NKWVEPMBSA-N -1 1 389.819 1.669 20 0 GDADMM Cc1nsc(N2CCO[C@H](CNC(=O)[C@H]3CC34CCC4)C2)c1-c1nn[n-]n1 ZINC001571295029 946151850 /nfs/dbraw/zinc/15/18/50/946151850.db2.gz NQNSQIRWXMNYLR-VXGBXAGGSA-N -1 1 389.485 1.143 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1coc(C(F)F)c1 ZINC001571295379 946162005 /nfs/dbraw/zinc/16/20/05/946162005.db2.gz ZEJAUTDRBFZOIW-CZMCAQCFSA-N -1 1 390.354 1.808 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1coc(C(F)F)c1 ZINC001571295379 946162009 /nfs/dbraw/zinc/16/20/09/946162009.db2.gz ZEJAUTDRBFZOIW-CZMCAQCFSA-N -1 1 390.354 1.808 20 0 GDADMM CCOC(=O)[C@@H](CCCC(C)C)NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001571296172 946188087 /nfs/dbraw/zinc/18/80/87/946188087.db2.gz PRDPVMOOKVLOBK-CYBMUJFWSA-N -1 1 390.444 1.764 20 0 GDADMM COc1nc(C(=O)N2CC[C@H](CNc3snc(C)c3-c3nn[n-]n3)C2)co1 ZINC001571296246 946189938 /nfs/dbraw/zinc/18/99/38/946189938.db2.gz RRQIVWWPMOZNLB-SECBINFHSA-N -1 1 390.429 1.202 20 0 GDADMM CNC(=O)c1cccc(N(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC001571296499 946196588 /nfs/dbraw/zinc/19/65/88/946196588.db2.gz ZLZBSIWBHMAKTE-UHFFFAOYSA-N -1 1 390.400 1.191 20 0 GDADMM CNC(=O)c1cccc(N(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC001571296499 946196599 /nfs/dbraw/zinc/19/65/99/946196599.db2.gz ZLZBSIWBHMAKTE-UHFFFAOYSA-N -1 1 390.400 1.191 20 0 GDADMM O=C(c1cccc2c1CCCC2)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571297912 946202530 /nfs/dbraw/zinc/20/25/30/946202530.db2.gz DBQTZNSWZPIXPN-AWEZNQCLSA-N -1 1 390.451 1.862 20 0 GDADMM O=C(c1cccc2c1CCCC2)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571297912 946202539 /nfs/dbraw/zinc/20/25/39/946202539.db2.gz DBQTZNSWZPIXPN-AWEZNQCLSA-N -1 1 390.451 1.862 20 0 GDADMM O=C(N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1cccc2c1CCCC2 ZINC001571298099 946205876 /nfs/dbraw/zinc/20/58/76/946205876.db2.gz JKMLMUOWJATBPL-AWEZNQCLSA-N -1 1 390.451 1.544 20 0 GDADMM O=C(N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1cccc2c1CCCC2 ZINC001571298099 946205884 /nfs/dbraw/zinc/20/58/84/946205884.db2.gz JKMLMUOWJATBPL-AWEZNQCLSA-N -1 1 390.451 1.544 20 0 GDADMM O=C(C[C@@H]1CCc2ccccc21)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571298461 946215848 /nfs/dbraw/zinc/21/58/48/946215848.db2.gz OIHKYABVFFKSID-GJZGRUSLSA-N -1 1 390.451 1.472 20 0 GDADMM O=C(C[C@@H]1CCc2ccccc21)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571298461 946215861 /nfs/dbraw/zinc/21/58/61/946215861.db2.gz OIHKYABVFFKSID-GJZGRUSLSA-N -1 1 390.451 1.472 20 0 GDADMM Cc1cccc(C(=O)N2C[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]3C2)c1C ZINC001571298694 946224344 /nfs/dbraw/zinc/22/43/44/946224344.db2.gz JOWHQOYJJPQGDZ-GASCZTMLSA-N -1 1 390.451 1.482 20 0 GDADMM Cc1cccc(C(=O)N2C[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]3C2)c1C ZINC001571298694 946224357 /nfs/dbraw/zinc/22/43/57/946224357.db2.gz JOWHQOYJJPQGDZ-GASCZTMLSA-N -1 1 390.451 1.482 20 0 GDADMM Cc1cncc(C(=O)N2CCN(c3nc(Cl)c(-c4nnn[n-]4)s3)CC2)c1 ZINC001571298766 946227529 /nfs/dbraw/zinc/22/75/29/946227529.db2.gz DFPJGZGLMRMIGU-UHFFFAOYSA-N -1 1 390.860 1.642 20 0 GDADMM Cc1cncc(C(=O)N2CCN(c3nc(Cl)c(-c4nn[n-]n4)s3)CC2)c1 ZINC001571298766 946227542 /nfs/dbraw/zinc/22/75/42/946227542.db2.gz DFPJGZGLMRMIGU-UHFFFAOYSA-N -1 1 390.860 1.642 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)[C@@H]2Cc3ccccc32)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571298917 946233255 /nfs/dbraw/zinc/23/32/55/946233255.db2.gz LPQOUAWKZUQISL-HLLBOEOZSA-N -1 1 390.451 1.470 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)[C@@H]2Cc3ccccc32)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571298917 946233266 /nfs/dbraw/zinc/23/32/66/946233266.db2.gz LPQOUAWKZUQISL-HLLBOEOZSA-N -1 1 390.451 1.470 20 0 GDADMM C[C@]1(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C[C@@H]1c1ccccc1 ZINC001571299079 946237684 /nfs/dbraw/zinc/23/76/84/946237684.db2.gz NMCHTSVWXMEDEC-SXGZJXTBSA-N -1 1 390.451 1.545 20 0 GDADMM C[C@]1(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C[C@@H]1c1ccccc1 ZINC001571299079 946237692 /nfs/dbraw/zinc/23/76/92/946237692.db2.gz NMCHTSVWXMEDEC-SXGZJXTBSA-N -1 1 390.451 1.545 20 0 GDADMM O=C(C1C=CC=CC=C1)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001571299493 946251267 /nfs/dbraw/zinc/25/12/67/946251267.db2.gz SIYJIYHEAIOFNP-IYBDPMFKSA-N -1 1 390.451 1.525 20 0 GDADMM O=C(C1C=CC=CC=C1)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001571299493 946251279 /nfs/dbraw/zinc/25/12/79/946251279.db2.gz SIYJIYHEAIOFNP-IYBDPMFKSA-N -1 1 390.451 1.525 20 0 GDADMM CN(C(=O)c1ccc(C2CC2)cc1)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571299501 946252412 /nfs/dbraw/zinc/25/24/12/946252412.db2.gz SQNNNKQAKYBXMP-MRXNPFEDSA-N -1 1 390.451 1.885 20 0 GDADMM C[C@H]1CN(C(=O)c2csc(Cl)c2)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571299653 946257012 /nfs/dbraw/zinc/25/70/12/946257012.db2.gz OFBWWBVRVWEQKC-KWQFWETISA-N -1 1 390.860 1.944 20 0 GDADMM C[C@H]1CN(C(=O)c2csc(Cl)c2)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571299653 946257022 /nfs/dbraw/zinc/25/70/22/946257022.db2.gz OFBWWBVRVWEQKC-KWQFWETISA-N -1 1 390.860 1.944 20 0 GDADMM C[C@]1(c2ccccc2)C[C@H]1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571299830 946264271 /nfs/dbraw/zinc/26/42/71/946264271.db2.gz WBKBRDXUIHMYAK-AUSJPIAWSA-N -1 1 390.451 1.329 20 0 GDADMM C[C@]1(c2ccccc2)C[C@H]1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571299830 946264283 /nfs/dbraw/zinc/26/42/83/946264283.db2.gz WBKBRDXUIHMYAK-AUSJPIAWSA-N -1 1 390.451 1.329 20 0 GDADMM CC[C@H](SC)C(=O)N1CCCC[C@@H]1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001571299947 946268015 /nfs/dbraw/zinc/26/80/15/946268015.db2.gz RRIBRDYOTXLEKR-OCCSQVGLSA-N -1 1 390.517 1.900 20 0 GDADMM CC[C@H](SC)C(=O)N1CCCC[C@@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001571299947 946268026 /nfs/dbraw/zinc/26/80/26/946268026.db2.gz RRIBRDYOTXLEKR-OCCSQVGLSA-N -1 1 390.517 1.900 20 0 GDADMM Cc1ccccc1C(=O)N[C@@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001571300119 946272778 /nfs/dbraw/zinc/27/27/78/946272778.db2.gz ZNRJECGXNIVCTL-OAHLLOKOSA-N -1 1 390.451 1.754 20 0 GDADMM O=C(Cc1ccc(Cl)s1)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571300257 946278954 /nfs/dbraw/zinc/27/89/54/946278954.db2.gz XWXXFHKPPFNYTM-VIFPVBQESA-N -1 1 390.860 1.309 20 0 GDADMM O=C(c1ocnc1C(F)F)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571302010 946289451 /nfs/dbraw/zinc/28/94/51/946289451.db2.gz LKIYFCOIVFBFKB-MRVPVSSYSA-N -1 1 391.342 1.299 20 0 GDADMM O=C(c1ocnc1C(F)F)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571302010 946289459 /nfs/dbraw/zinc/28/94/59/946289459.db2.gz LKIYFCOIVFBFKB-MRVPVSSYSA-N -1 1 391.342 1.299 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCN3c3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001571302706 946313536 /nfs/dbraw/zinc/31/35/36/946313536.db2.gz GFUDTSCYSYNUQH-GDBMZVCRSA-N -1 1 391.439 1.101 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCN3c3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571302706 946313549 /nfs/dbraw/zinc/31/35/49/946313549.db2.gz GFUDTSCYSYNUQH-GDBMZVCRSA-N -1 1 391.439 1.101 20 0 GDADMM O=C(NCC1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1)[C@@H]1C[C@H]1c1ccncc1 ZINC001571302880 946319672 /nfs/dbraw/zinc/31/96/72/946319672.db2.gz IKEPHWZONMMODK-RIXNLZLZSA-N -1 1 391.439 1.162 20 0 GDADMM O=C(NCC1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1)[C@@H]1C[C@H]1c1ccncc1 ZINC001571302880 946319684 /nfs/dbraw/zinc/31/96/84/946319684.db2.gz IKEPHWZONMMODK-RIXNLZLZSA-N -1 1 391.439 1.162 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc(C2CC2)cn1 ZINC001571302974 946321347 /nfs/dbraw/zinc/32/13/47/946321347.db2.gz GIZQRCGGJBMRAS-RISCZKNCSA-N -1 1 391.439 1.644 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc(C2CC2)cn1 ZINC001571302974 946321358 /nfs/dbraw/zinc/32/13/58/946321358.db2.gz GIZQRCGGJBMRAS-RISCZKNCSA-N -1 1 391.439 1.644 20 0 GDADMM Cc1nc(C2CC2)ccc1C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571303398 946333656 /nfs/dbraw/zinc/33/36/56/946333656.db2.gz PXVZKXQNTITXAR-CYBMUJFWSA-N -1 1 391.439 1.564 20 0 GDADMM Cc1nc(C2CC2)ccc1C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571303398 946333674 /nfs/dbraw/zinc/33/36/74/946333674.db2.gz PXVZKXQNTITXAR-CYBMUJFWSA-N -1 1 391.439 1.564 20 0 GDADMM Cc1nsc(N2CCC[C@H]2CNC(=O)[C@@H]2CCCOCC2)c1-c1nn[n-]n1 ZINC001571305589 946366785 /nfs/dbraw/zinc/36/67/85/946366785.db2.gz GKZUBOPZWSODRP-OLZOCXBDSA-N -1 1 391.501 1.533 20 0 GDADMM COC1CC(C(=O)N[C@@H]2CN(c3snc(C)c3-c3nn[n-]n3)CC2(C)C)C1 ZINC001571305553 946367610 /nfs/dbraw/zinc/36/76/10/946367610.db2.gz FCUPYTMNMCLBTN-HTAVTVPLSA-N -1 1 391.501 1.388 20 0 GDADMM O=C(c1csc(Cl)n1)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571305575 946367650 /nfs/dbraw/zinc/36/76/50/946367650.db2.gz GCYRKXNFCSNNCZ-MRVPVSSYSA-N -1 1 391.848 1.483 20 0 GDADMM O=C(c1csc(Cl)n1)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571305575 946367667 /nfs/dbraw/zinc/36/76/67/946367667.db2.gz GCYRKXNFCSNNCZ-MRVPVSSYSA-N -1 1 391.848 1.483 20 0 GDADMM CO[C@@H](C(=O)N1CCC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1)C1CCC1 ZINC001571305607 946369156 /nfs/dbraw/zinc/36/91/56/946369156.db2.gz HFOYEFAZFUUOFX-TZMCWYRMSA-N -1 1 391.501 1.850 20 0 GDADMM CC[C@H](OC)C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1snc(C)c1-c1nn[n-]n1 ZINC001571306067 946384748 /nfs/dbraw/zinc/38/47/48/946384748.db2.gz OXGRGCNMFLVQAZ-AGIUHOORSA-N -1 1 391.501 1.626 20 0 GDADMM O=C(N[C@@H]1CCCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1)c1cncnc1 ZINC001571306035 946385693 /nfs/dbraw/zinc/38/56/93/946385693.db2.gz OFTURGPJZLXGNY-SECBINFHSA-N -1 1 391.848 1.165 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1csc(Cl)n1 ZINC001571306273 946392769 /nfs/dbraw/zinc/39/27/69/946392769.db2.gz RSQYJWYWVQDIFX-MRVPVSSYSA-N -1 1 391.848 1.165 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1csc(Cl)n1 ZINC001571306273 946392781 /nfs/dbraw/zinc/39/27/81/946392781.db2.gz RSQYJWYWVQDIFX-MRVPVSSYSA-N -1 1 391.848 1.165 20 0 GDADMM CN(C(=O)c1ncccn1)C1CC(Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571306310 946393955 /nfs/dbraw/zinc/39/39/55/946393955.db2.gz SEBHMJCMBBGXEJ-UHFFFAOYSA-N -1 1 391.848 1.482 20 0 GDADMM CN(C(=O)c1ncccn1)C1CC(Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571306310 946393969 /nfs/dbraw/zinc/39/39/69/946393969.db2.gz SEBHMJCMBBGXEJ-UHFFFAOYSA-N -1 1 391.848 1.482 20 0 GDADMM CN(C(=O)c1ccncn1)[C@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571306372 946397294 /nfs/dbraw/zinc/39/72/94/946397294.db2.gz ULBAZAAVOTYQMJ-QMMMGPOBSA-N -1 1 391.848 1.118 20 0 GDADMM CC1(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CCC(F)(F)CC1 ZINC001571307373 946423468 /nfs/dbraw/zinc/42/34/68/946423468.db2.gz CWEMJPRZRYEBAA-LLVKDONJSA-N -1 1 392.414 1.567 20 0 GDADMM CC1(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CCC(F)(F)CC1 ZINC001571307373 946423476 /nfs/dbraw/zinc/42/34/76/946423476.db2.gz CWEMJPRZRYEBAA-LLVKDONJSA-N -1 1 392.414 1.567 20 0 GDADMM C[C@@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)CN1C(=O)C1CCC(F)(F)CC1 ZINC001571308022 946428984 /nfs/dbraw/zinc/42/89/84/946428984.db2.gz KAGOKNBHKWZLMR-PWSUYJOCSA-N -1 1 392.414 1.884 20 0 GDADMM C[C@@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)CN1C(=O)C1CCC(F)(F)CC1 ZINC001571308022 946428986 /nfs/dbraw/zinc/42/89/86/946428986.db2.gz KAGOKNBHKWZLMR-PWSUYJOCSA-N -1 1 392.414 1.884 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571308583 946435033 /nfs/dbraw/zinc/43/50/33/946435033.db2.gz RPNFCBNEJSUSOX-GHMZBOCLSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571308583 946435039 /nfs/dbraw/zinc/43/50/39/946435039.db2.gz RPNFCBNEJSUSOX-GHMZBOCLSA-N -1 1 392.414 1.599 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H]3[C@H]2CCCN3C(=O)CC(C)(F)F)n1 ZINC001571309356 946442447 /nfs/dbraw/zinc/44/24/47/946442447.db2.gz YFYJHZYDRDPCMP-OLZOCXBDSA-N -1 1 392.414 1.580 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H]3[C@H]2CCCN3C(=O)CC(C)(F)F)n1 ZINC001571309356 946442453 /nfs/dbraw/zinc/44/24/53/946442453.db2.gz YFYJHZYDRDPCMP-OLZOCXBDSA-N -1 1 392.414 1.580 20 0 GDADMM O=C(C[C@H]1CCCC1(F)F)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571309841 946454809 /nfs/dbraw/zinc/45/48/09/946454809.db2.gz MHGZVJYCKPCFJC-NEPJUHHUSA-N -1 1 392.414 1.567 20 0 GDADMM O=C(C[C@H]1CCCC1(F)F)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571309841 946454818 /nfs/dbraw/zinc/45/48/18/946454818.db2.gz MHGZVJYCKPCFJC-NEPJUHHUSA-N -1 1 392.414 1.567 20 0 GDADMM O=C([C@H]1C[C@@H]1C(F)F)N1CCCCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571309869 946456144 /nfs/dbraw/zinc/45/61/44/946456144.db2.gz NOLZTFAXVXLGOW-SRVKXCTJSA-N -1 1 392.414 1.741 20 0 GDADMM O=C([C@H]1C[C@@H]1C(F)F)N1CCCCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571309869 946456147 /nfs/dbraw/zinc/45/61/47/946456147.db2.gz NOLZTFAXVXLGOW-SRVKXCTJSA-N -1 1 392.414 1.741 20 0 GDADMM O=C(NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)[C@H]1CCCC(F)(F)C1 ZINC001571310175 946463535 /nfs/dbraw/zinc/46/35/35/946463535.db2.gz XRGOAEGENGCTEP-NWDGAFQWSA-N -1 1 392.414 1.567 20 0 GDADMM CC(C)Cc1ccc(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001571311426 946487367 /nfs/dbraw/zinc/48/73/67/946487367.db2.gz XGGKVQSETYXMIK-INIZCTEOSA-N -1 1 392.467 1.864 20 0 GDADMM CC(C)Cc1ccc(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001571311426 946487374 /nfs/dbraw/zinc/48/73/74/946487374.db2.gz XGGKVQSETYXMIK-INIZCTEOSA-N -1 1 392.467 1.864 20 0 GDADMM CCc1cccc(CC(=O)N[C@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)c1 ZINC001571312666 946498848 /nfs/dbraw/zinc/49/88/48/946498848.db2.gz AEADDJOULKGYSV-INIZCTEOSA-N -1 1 392.467 1.465 20 0 GDADMM CCc1cccc(CC(=O)N[C@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)c1 ZINC001571312666 946498855 /nfs/dbraw/zinc/49/88/55/946498855.db2.gz AEADDJOULKGYSV-INIZCTEOSA-N -1 1 392.467 1.465 20 0 GDADMM CCc1cccc(CC(=O)N(C)[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571313440 946522561 /nfs/dbraw/zinc/52/25/61/946522561.db2.gz OOZAYLIKKPSMMH-INIZCTEOSA-N -1 1 392.467 1.499 20 0 GDADMM CCc1cccc(CC(=O)N(C)[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571313440 946522572 /nfs/dbraw/zinc/52/25/72/946522572.db2.gz OOZAYLIKKPSMMH-INIZCTEOSA-N -1 1 392.467 1.499 20 0 GDADMM O=C(c1ccccc1O)N1CCC[C@H]2[C@@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001571313622 946528261 /nfs/dbraw/zinc/52/82/61/946528261.db2.gz UWYDWQQNTWPRKB-GJZGRUSLSA-N -1 1 392.423 1.246 20 0 GDADMM O=C(c1ccccc1O)N1CCC[C@H]2[C@@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001571313622 946528273 /nfs/dbraw/zinc/52/82/73/946528273.db2.gz UWYDWQQNTWPRKB-GJZGRUSLSA-N -1 1 392.423 1.246 20 0 GDADMM O=C(c1ccc2c(c1)CCO2)N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571313847 946535873 /nfs/dbraw/zinc/53/58/73/946535873.db2.gz WJYZKDSEISGDOG-UHFFFAOYSA-N -1 1 392.423 1.308 20 0 GDADMM O=C(c1ccc2c(c1)CCO2)N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571313847 946535879 /nfs/dbraw/zinc/53/58/79/946535879.db2.gz WJYZKDSEISGDOG-UHFFFAOYSA-N -1 1 392.423 1.308 20 0 GDADMM CC(=O)Nc1ccc(Cl)c(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)c1 ZINC000823999459 946539834 /nfs/dbraw/zinc/53/98/34/946539834.db2.gz BFDFULWWOFOSCK-UHFFFAOYSA-N -1 1 375.776 1.956 20 0 GDADMM CC(=O)Nc1ccc(Cl)c(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)c1 ZINC000823999459 946539842 /nfs/dbraw/zinc/53/98/42/946539842.db2.gz BFDFULWWOFOSCK-UHFFFAOYSA-N -1 1 375.776 1.956 20 0 GDADMM Cc1ccc(CC(=O)N2CCC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571314984 946546602 /nfs/dbraw/zinc/54/66/02/946546602.db2.gz FZSHMVZJEWJMCX-INIZCTEOSA-N -1 1 392.467 1.280 20 0 GDADMM Cc1cccc(CC(=O)N[C@@H]2CC[C@H](CNc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571316540 946579844 /nfs/dbraw/zinc/57/98/44/946579844.db2.gz FWLORHSWXBFAPC-JKSUJKDBSA-N -1 1 392.467 1.905 20 0 GDADMM Cc1cccc(CC(=O)N[C@@H]2CC[C@H](CNc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571316540 946579851 /nfs/dbraw/zinc/57/98/51/946579851.db2.gz FWLORHSWXBFAPC-JKSUJKDBSA-N -1 1 392.467 1.905 20 0 GDADMM Cc1ccccc1[C@@H](C)CC(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571316965 946594895 /nfs/dbraw/zinc/59/48/95/946594895.db2.gz QPEQRHMZYMPJCF-HNNXBMFYSA-N -1 1 392.467 1.808 20 0 GDADMM Cc1ccccc1[C@@H](C)CC(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571316965 946594905 /nfs/dbraw/zinc/59/49/05/946594905.db2.gz QPEQRHMZYMPJCF-HNNXBMFYSA-N -1 1 392.467 1.808 20 0 GDADMM CC(=O)NCc1cccc(C(=O)N2CCCc3nc(-c4nnn[n-]4)ccc32)c1 ZINC001573532931 946706119 /nfs/dbraw/zinc/70/61/19/946706119.db2.gz AWOXXYHJAJQYBY-UHFFFAOYSA-N -1 1 377.408 1.491 20 0 GDADMM CC(=O)NCc1cccc(C(=O)N2CCCc3nc(-c4nn[n-]n4)ccc32)c1 ZINC001573532931 946706126 /nfs/dbraw/zinc/70/61/26/946706126.db2.gz AWOXXYHJAJQYBY-UHFFFAOYSA-N -1 1 377.408 1.491 20 0 GDADMM CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CC[C@@H]1c1cccc(F)c1 ZINC001573537604 946752382 /nfs/dbraw/zinc/75/23/82/946752382.db2.gz GKCKUXHTUABCLU-HUUCEWRRSA-N -1 1 382.403 1.294 20 0 GDADMM CCC[C@](C)(CO)NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000825232558 947127770 /nfs/dbraw/zinc/12/77/70/947127770.db2.gz HZRJPDSWKZESGU-GOSISDBHSA-N -1 1 386.460 1.126 20 0 GDADMM CCC[C@](C)(CO)NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000825232558 947127776 /nfs/dbraw/zinc/12/77/76/947127776.db2.gz HZRJPDSWKZESGU-GOSISDBHSA-N -1 1 386.460 1.126 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)N2CCCc3ccccc32)c1-c1nn[n-]n1 ZINC000825565094 947224438 /nfs/dbraw/zinc/22/44/38/947224438.db2.gz LRCAFEOVYWGYFE-UHFFFAOYSA-N -1 1 381.396 1.219 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)c2[nH]c(C)c(C(C)=O)c2C)c1-c1nn[n-]n1 ZINC000825570283 947230543 /nfs/dbraw/zinc/23/05/43/947230543.db2.gz HGFUTCWXMCWZDL-UHFFFAOYSA-N -1 1 385.384 1.270 20 0 GDADMM C=C/C(C)=C/CC(=O)NC1(CNc2cncc(-c3nnn[n-]3)n2)CCOCC1 ZINC001573316554 947276882 /nfs/dbraw/zinc/27/68/82/947276882.db2.gz ICMVVBDYLZMVHH-YIXHJXPBSA-N -1 1 384.444 1.256 20 0 GDADMM C=C/C(C)=C/CC(=O)NC1(CNc2cncc(-c3nn[n-]n3)n2)CCOCC1 ZINC001573316554 947276891 /nfs/dbraw/zinc/27/68/91/947276891.db2.gz ICMVVBDYLZMVHH-YIXHJXPBSA-N -1 1 384.444 1.256 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cccc2cnccc21 ZINC000825934352 947374091 /nfs/dbraw/zinc/37/40/91/947374091.db2.gz NULNYFBSFHGFAX-UHFFFAOYSA-N -1 1 377.412 1.425 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cccc2cnccc21 ZINC000825934352 947374098 /nfs/dbraw/zinc/37/40/98/947374098.db2.gz NULNYFBSFHGFAX-UHFFFAOYSA-N -1 1 377.412 1.425 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Cc1cc2ccccc2o1 ZINC000825930074 947375322 /nfs/dbraw/zinc/37/53/22/947375322.db2.gz PDCDSJOYUINTMI-UHFFFAOYSA-N -1 1 380.412 1.552 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Cc1cc2ccccc2o1 ZINC000825930074 947375335 /nfs/dbraw/zinc/37/53/35/947375335.db2.gz PDCDSJOYUINTMI-UHFFFAOYSA-N -1 1 380.412 1.552 20 0 GDADMM C[C@@H](C(=O)N(C)[C@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)n1cccc1 ZINC001573593872 947380958 /nfs/dbraw/zinc/38/09/58/947380958.db2.gz MHHULWPPGPGRJE-GXTWGEPZSA-N -1 1 381.444 1.368 20 0 GDADMM C[C@@H](C(=O)N(C)[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)n1cccc1 ZINC001573593872 947380963 /nfs/dbraw/zinc/38/09/63/947380963.db2.gz MHHULWPPGPGRJE-GXTWGEPZSA-N -1 1 381.444 1.368 20 0 GDADMM C[C@H](C(=O)N(CCO)CCNc1nc(-c2nn[n-]n2)c(Cl)s1)C1CC1 ZINC001573606886 947535110 /nfs/dbraw/zinc/53/51/10/947535110.db2.gz ABFBQUUNVVDWET-QMMMGPOBSA-N -1 1 385.881 1.256 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1)C(F)(F)F ZINC001573613451 947563584 /nfs/dbraw/zinc/56/35/84/947563584.db2.gz AKHNVGMSUHFYLC-LPEHRKFASA-N -1 1 382.350 1.035 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1)C(F)(F)F ZINC001573613451 947563589 /nfs/dbraw/zinc/56/35/89/947563589.db2.gz AKHNVGMSUHFYLC-LPEHRKFASA-N -1 1 382.350 1.035 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)C(F)(F)F ZINC001573613532 947564779 /nfs/dbraw/zinc/56/47/79/947564779.db2.gz BWOOQSHOGLJLFE-BBBLOLIVSA-N -1 1 382.350 1.035 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)C(F)(F)F ZINC001573613532 947564783 /nfs/dbraw/zinc/56/47/83/947564783.db2.gz BWOOQSHOGLJLFE-BBBLOLIVSA-N -1 1 382.350 1.035 20 0 GDADMM COc1ccc(C[C@H](C)C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000826190430 947581821 /nfs/dbraw/zinc/58/18/21/947581821.db2.gz BCEPAGAILWYAFL-LBPRGKRZSA-N -1 1 398.471 1.450 20 0 GDADMM COc1ccc(C[C@H](C)C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000826190430 947581834 /nfs/dbraw/zinc/58/18/34/947581834.db2.gz BCEPAGAILWYAFL-LBPRGKRZSA-N -1 1 398.471 1.450 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@H](N(C)c3nccnc3-c3nnn[n-]3)C2)cc1 ZINC001573350311 947594376 /nfs/dbraw/zinc/59/43/76/947594376.db2.gz ABJBXSNCINFDSN-HNNXBMFYSA-N -1 1 376.424 1.651 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@H](N(C)c3nccnc3-c3nn[n-]n3)C2)cc1 ZINC001573350311 947594380 /nfs/dbraw/zinc/59/43/80/947594380.db2.gz ABJBXSNCINFDSN-HNNXBMFYSA-N -1 1 376.424 1.651 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C(C)(C)C1)C(F)(F)F ZINC001573615085 947597752 /nfs/dbraw/zinc/59/77/52/947597752.db2.gz QMLCPCWWIQMPAD-DTWKUNHWSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C(C)(C)C1)C(F)(F)F ZINC001573615085 947597763 /nfs/dbraw/zinc/59/77/63/947597763.db2.gz QMLCPCWWIQMPAD-DTWKUNHWSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CN(C)c2ccnc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573615699 947608481 /nfs/dbraw/zinc/60/84/81/947608481.db2.gz JUUIBBBCZZSPGY-KGLIPLIRSA-N -1 1 384.488 1.768 20 0 GDADMM C=Cc1ccc(C(=O)N(C)[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C2CC2)cc1 ZINC001573352116 947625341 /nfs/dbraw/zinc/62/53/41/947625341.db2.gz VMQNZMMYEIWDJW-INIZCTEOSA-N -1 1 390.451 1.684 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]32)cc1 ZINC001573354597 947633891 /nfs/dbraw/zinc/63/38/91/947633891.db2.gz FFDMZKFHMRHPNZ-JKSUJKDBSA-N -1 1 388.435 1.651 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001573355880 947645874 /nfs/dbraw/zinc/64/58/74/947645874.db2.gz RUHRMIRMHDZJPJ-AWEZNQCLSA-N -1 1 376.424 1.556 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001573355880 947645885 /nfs/dbraw/zinc/64/58/85/947645885.db2.gz RUHRMIRMHDZJPJ-AWEZNQCLSA-N -1 1 376.424 1.556 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@](C)(CNc2cncc(-c3nnn[n-]3)n2)C1)C(C)(F)F ZINC001573618264 947648686 /nfs/dbraw/zinc/64/86/86/947648686.db2.gz RHJRQCGYSGYXDF-BONVTDFDSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@](C)(CNc2cncc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573618264 947648698 /nfs/dbraw/zinc/64/86/98/947648698.db2.gz RHJRQCGYSGYXDF-BONVTDFDSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001573619869 947671904 /nfs/dbraw/zinc/67/19/04/947671904.db2.gz XDSPSKYPPGZWKA-ZIAGYGMSSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001573619869 947671913 /nfs/dbraw/zinc/67/19/13/947671913.db2.gz XDSPSKYPPGZWKA-ZIAGYGMSSA-N -1 1 381.444 1.370 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@H](CCO)c2cccs2)cc1-c1nn[n-]n1 ZINC000826229571 947672452 /nfs/dbraw/zinc/67/24/52/947672452.db2.gz JFPMFCLBYDGFBY-SNVBAGLBSA-N -1 1 392.466 1.604 20 0 GDADMM C[C@@H](C(=O)N1CCC(N(C)c2cnc(-c3nnn[n-]3)cn2)CC1)C1CCCC1 ZINC001573619860 947672549 /nfs/dbraw/zinc/67/25/49/947672549.db2.gz YJPMVABOPXQLQH-CYBMUJFWSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](C(=O)N1CCC(N(C)c2cnc(-c3nn[n-]n3)cn2)CC1)C1CCCC1 ZINC001573619860 947672555 /nfs/dbraw/zinc/67/25/55/947672555.db2.gz YJPMVABOPXQLQH-CYBMUJFWSA-N -1 1 384.488 1.910 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@H]2C[C@H](Nc3nccnc3-c3nnn[n-]3)C2)cc1 ZINC001573359671 947687825 /nfs/dbraw/zinc/68/78/25/947687825.db2.gz XGZGSKNVHDGAJU-CTYIDZIISA-N -1 1 376.424 1.920 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@H]2C[C@H](Nc3nccnc3-c3nn[n-]n3)C2)cc1 ZINC001573359671 947687832 /nfs/dbraw/zinc/68/78/32/947687832.db2.gz XGZGSKNVHDGAJU-CTYIDZIISA-N -1 1 376.424 1.920 20 0 GDADMM C[C@H](C(=O)N1CCC(O)(CNc2nccnc2-c2nnn[n-]2)CC1)C(C)(C)C ZINC001573623611 947689395 /nfs/dbraw/zinc/68/93/95/947689395.db2.gz HETANJMJPWYZJP-GFCCVEGCSA-N -1 1 388.476 1.104 20 0 GDADMM C[C@H](C(=O)N1CCC(O)(CNc2nccnc2-c2nn[n-]n2)CC1)C(C)(C)C ZINC001573623611 947689399 /nfs/dbraw/zinc/68/93/99/947689399.db2.gz HETANJMJPWYZJP-GFCCVEGCSA-N -1 1 388.476 1.104 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001573359685 947690367 /nfs/dbraw/zinc/69/03/67/947690367.db2.gz XWVSRCVLDLXEMK-OIISXLGYSA-N -1 1 388.435 1.839 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001573359685 947690376 /nfs/dbraw/zinc/69/03/76/947690376.db2.gz XWVSRCVLDLXEMK-OIISXLGYSA-N -1 1 388.435 1.839 20 0 GDADMM C/C(=C/C(=O)NC1(C)CCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1)C1CC1 ZINC001573364423 947721344 /nfs/dbraw/zinc/72/13/44/947721344.db2.gz PSQHVTPJJPKCTN-BENRWUELSA-N -1 1 382.472 1.797 20 0 GDADMM C/C(=C/C(=O)NC1(C)CCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001573364423 947721349 /nfs/dbraw/zinc/72/13/49/947721349.db2.gz PSQHVTPJJPKCTN-BENRWUELSA-N -1 1 382.472 1.797 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1)c1cccs1 ZINC001573627430 947725201 /nfs/dbraw/zinc/72/52/01/947725201.db2.gz BFDAGXRWHPPTRL-RYUDHWBXSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1)c1cccs1 ZINC001573627430 947725210 /nfs/dbraw/zinc/72/52/10/947725210.db2.gz BFDAGXRWHPPTRL-RYUDHWBXSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1)c1cccnc1 ZINC001573628051 947742369 /nfs/dbraw/zinc/74/23/69/947742369.db2.gz HRHMELARWDRGBU-OCCSQVGLSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001573628051 947742385 /nfs/dbraw/zinc/74/23/85/947742385.db2.gz HRHMELARWDRGBU-OCCSQVGLSA-N -1 1 379.428 1.258 20 0 GDADMM CC(=O)[C@@H]([N-]S(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1)c1ccccc1F ZINC001573366470 947743332 /nfs/dbraw/zinc/74/33/32/947743332.db2.gz RCSUENOTPHDOQG-MRXNPFEDSA-N -1 1 389.412 1.756 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1)c1ccsc1 ZINC001573628505 947756925 /nfs/dbraw/zinc/75/69/25/947756925.db2.gz MLINDNFFHKBLAL-YPMHNXCESA-N -1 1 384.469 1.925 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1)c1ccsc1 ZINC001573628505 947756932 /nfs/dbraw/zinc/75/69/32/947756932.db2.gz MLINDNFFHKBLAL-YPMHNXCESA-N -1 1 384.469 1.925 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1cncc(-c2nnn[n-]2)n1)C1CCCC1 ZINC001573628867 947765088 /nfs/dbraw/zinc/76/50/88/947765088.db2.gz OSUSSTDZHPDSCO-DZGCQCFKSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1cncc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573628867 947765093 /nfs/dbraw/zinc/76/50/93/947765093.db2.gz OSUSSTDZHPDSCO-DZGCQCFKSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](C(=O)N1CCC[C@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1)C1CC1 ZINC001573629758 947784526 /nfs/dbraw/zinc/78/45/26/947784526.db2.gz VALBQHWUGWASJS-ORAYPTAESA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H](C(=O)N1CCC[C@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1)C1CC1 ZINC001573629758 947784531 /nfs/dbraw/zinc/78/45/31/947784531.db2.gz VALBQHWUGWASJS-ORAYPTAESA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)C(C)(F)F ZINC001573630189 947787658 /nfs/dbraw/zinc/78/76/58/947787658.db2.gz RCVLVAMZDYZFRS-UTUOFQBUSA-N -1 1 392.414 1.518 20 0 GDADMM C[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)C(C)(F)F ZINC001573630189 947787663 /nfs/dbraw/zinc/78/76/63/947787663.db2.gz RCVLVAMZDYZFRS-UTUOFQBUSA-N -1 1 392.414 1.518 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@@H]1[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001573373742 947800102 /nfs/dbraw/zinc/80/01/02/947800102.db2.gz LCOQDLBDLAZYIN-DZGCQCFKSA-N -1 1 386.460 1.598 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@@H]1[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001573373742 947800111 /nfs/dbraw/zinc/80/01/11/947800111.db2.gz LCOQDLBDLAZYIN-DZGCQCFKSA-N -1 1 386.460 1.598 20 0 GDADMM CC(=O)CCCC(=O)N[C@]12CCC[C@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001573375142 947816528 /nfs/dbraw/zinc/81/65/28/947816528.db2.gz MJHCCZICBXQUTL-KDOFPFPSSA-N -1 1 384.444 1.034 20 0 GDADMM CC(=O)CCCC(=O)N[C@]12CCC[C@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001573375142 947816532 /nfs/dbraw/zinc/81/65/32/947816532.db2.gz MJHCCZICBXQUTL-KDOFPFPSSA-N -1 1 384.444 1.034 20 0 GDADMM CC(=O)CCCC(=O)N[C@]12CCC[C@@H]1N(c1nccnc1-c1nnn[n-]1)CC2 ZINC001573375286 947818091 /nfs/dbraw/zinc/81/80/91/947818091.db2.gz NOEUGIVJVISLPM-UGSOOPFHSA-N -1 1 384.444 1.034 20 0 GDADMM CC(=O)CCCC(=O)N[C@]12CCC[C@@H]1N(c1nccnc1-c1nn[n-]n1)CC2 ZINC001573375286 947818102 /nfs/dbraw/zinc/81/81/02/947818102.db2.gz NOEUGIVJVISLPM-UGSOOPFHSA-N -1 1 384.444 1.034 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573375707 947825831 /nfs/dbraw/zinc/82/58/31/947825831.db2.gz UCVPEQJQIRSHGG-LBPRGKRZSA-N -1 1 377.474 1.651 20 0 GDADMM Cc1onc(CC(=O)N[C@H]2CCCN(c3ccc(C)cc3)C2)c1-c1nnn[n-]1 ZINC000826289791 947842377 /nfs/dbraw/zinc/84/23/77/947842377.db2.gz NOCPIWBMKWMNTH-AWEZNQCLSA-N -1 1 381.440 1.799 20 0 GDADMM Cc1onc(CC(=O)N[C@H]2CCCN(c3ccc(C)cc3)C2)c1-c1nn[n-]n1 ZINC000826289791 947842388 /nfs/dbraw/zinc/84/23/88/947842388.db2.gz NOCPIWBMKWMNTH-AWEZNQCLSA-N -1 1 381.440 1.799 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1(C)C ZINC001573380555 947860830 /nfs/dbraw/zinc/86/08/30/947860830.db2.gz FQISDPWWQGTPKX-AWEZNQCLSA-N -1 1 386.460 1.055 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1(C)C ZINC001573380555 947860840 /nfs/dbraw/zinc/86/08/40/947860840.db2.gz FQISDPWWQGTPKX-AWEZNQCLSA-N -1 1 386.460 1.055 20 0 GDADMM Cc1onc(CC(=O)N2CCN(c3cccc(C)c3C)CC2)c1-c1nnn[n-]1 ZINC000826299086 947865340 /nfs/dbraw/zinc/86/53/40/947865340.db2.gz QMDQCEKCOTUUKQ-UHFFFAOYSA-N -1 1 381.440 1.671 20 0 GDADMM Cc1onc(CC(=O)N2CCN(c3cccc(C)c3C)CC2)c1-c1nn[n-]n1 ZINC000826299086 947865341 /nfs/dbraw/zinc/86/53/41/947865341.db2.gz QMDQCEKCOTUUKQ-UHFFFAOYSA-N -1 1 381.440 1.671 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1)C(C)(F)F ZINC001573643672 947865509 /nfs/dbraw/zinc/86/55/09/947865509.db2.gz VZRRGUAXSKKJIS-WOPDTQHZSA-N -1 1 394.430 1.987 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001573643672 947865513 /nfs/dbraw/zinc/86/55/13/947865513.db2.gz VZRRGUAXSKKJIS-WOPDTQHZSA-N -1 1 394.430 1.987 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)c1ccco1 ZINC001573645800 947869438 /nfs/dbraw/zinc/86/94/38/947869438.db2.gz BGQNCWWZJXEFJK-FRRDWIJNSA-N -1 1 380.412 1.091 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)c1ccco1 ZINC001573645800 947869449 /nfs/dbraw/zinc/86/94/49/947869449.db2.gz BGQNCWWZJXEFJK-FRRDWIJNSA-N -1 1 380.412 1.091 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C ZINC001573381326 947872826 /nfs/dbraw/zinc/87/28/26/947872826.db2.gz SXBVAYCCORTGRM-AWEZNQCLSA-N -1 1 386.460 1.137 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C ZINC001573381326 947872831 /nfs/dbraw/zinc/87/28/31/947872831.db2.gz SXBVAYCCORTGRM-AWEZNQCLSA-N -1 1 386.460 1.137 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cccs1 ZINC001573647233 947887785 /nfs/dbraw/zinc/88/77/85/947887785.db2.gz FOINIXAHIOUYEX-NTZNESFSSA-N -1 1 384.469 1.781 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cccs1 ZINC001573647233 947887791 /nfs/dbraw/zinc/88/77/91/947887791.db2.gz FOINIXAHIOUYEX-NTZNESFSSA-N -1 1 384.469 1.781 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1)C(C)(F)F ZINC001573652002 947927146 /nfs/dbraw/zinc/92/71/46/947927146.db2.gz UFQSYMICRHXBDM-TUAOUCFPSA-N -1 1 392.414 1.233 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1)C(C)(F)F ZINC001573652002 947927152 /nfs/dbraw/zinc/92/71/52/947927152.db2.gz UFQSYMICRHXBDM-TUAOUCFPSA-N -1 1 392.414 1.233 20 0 GDADMM C[C@H](C(=O)N[C@@](C)(CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)c1ccco1 ZINC001573652874 947948243 /nfs/dbraw/zinc/94/82/43/947948243.db2.gz HVTTXPCMLRKTIJ-VOJFVSQTSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](C(=O)N[C@@](C)(CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)c1ccco1 ZINC001573652874 947948247 /nfs/dbraw/zinc/94/82/47/947948247.db2.gz HVTTXPCMLRKTIJ-VOJFVSQTSA-N -1 1 382.428 1.750 20 0 GDADMM Cc1onc(CC(=O)N(C)Cc2ccn(-c3ccccc3)n2)c1-c1nnn[n-]1 ZINC000826342898 947986500 /nfs/dbraw/zinc/98/65/00/947986500.db2.gz DTSHLSWZOBBJFG-UHFFFAOYSA-N -1 1 378.396 1.550 20 0 GDADMM Cc1onc(CC(=O)N(C)Cc2ccn(-c3ccccc3)n2)c1-c1nn[n-]n1 ZINC000826342898 947986508 /nfs/dbraw/zinc/98/65/08/947986508.db2.gz DTSHLSWZOBBJFG-UHFFFAOYSA-N -1 1 378.396 1.550 20 0 GDADMM C[C@@H](C(=O)NC1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)n1cccc1 ZINC001573656366 947988329 /nfs/dbraw/zinc/98/83/29/947988329.db2.gz FJFFKIJLWBPYLY-ZDUSSCGKSA-N -1 1 381.444 1.195 20 0 GDADMM Cc1onc(CC(=O)N(C)CCOc2ccc(Cl)cc2)c1-c1nnn[n-]1 ZINC000826343393 947991397 /nfs/dbraw/zinc/99/13/97/947991397.db2.gz YYLMLMQXPXISSZ-UHFFFAOYSA-N -1 1 376.804 1.896 20 0 GDADMM Cc1onc(CC(=O)N(C)CCOc2ccc(Cl)cc2)c1-c1nn[n-]n1 ZINC000826343393 947991403 /nfs/dbraw/zinc/99/14/03/947991403.db2.gz YYLMLMQXPXISSZ-UHFFFAOYSA-N -1 1 376.804 1.896 20 0 GDADMM Cc1onc(CC(=O)N2CCC(C(=O)OC(C)(C)C)CC2)c1-c1nnn[n-]1 ZINC000826343852 947998112 /nfs/dbraw/zinc/99/81/12/947998112.db2.gz OSSSPLKRFSTZSX-UHFFFAOYSA-N -1 1 376.417 1.286 20 0 GDADMM Cc1onc(CC(=O)N2CCC(C(=O)OC(C)(C)C)CC2)c1-c1nn[n-]n1 ZINC000826343852 947998118 /nfs/dbraw/zinc/99/81/18/947998118.db2.gz OSSSPLKRFSTZSX-UHFFFAOYSA-N -1 1 376.417 1.286 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@H]2CNC(=O)OC(C)(C)C)c1-c1nnn[n-]1 ZINC000826344650 948011172 /nfs/dbraw/zinc/01/11/72/948011172.db2.gz NNUZTTWSKNCWDQ-NSHDSACASA-N -1 1 391.432 1.221 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@H]2CNC(=O)OC(C)(C)C)c1-c1nn[n-]n1 ZINC000826344650 948011181 /nfs/dbraw/zinc/01/11/81/948011181.db2.gz NNUZTTWSKNCWDQ-NSHDSACASA-N -1 1 391.432 1.221 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@H](c3noc(C(C)C)n3)C2)c1-c1nnn[n-]1 ZINC000826344936 948016253 /nfs/dbraw/zinc/01/62/53/948016253.db2.gz XACLVWYDLNZVDM-NSHDSACASA-N -1 1 386.416 1.618 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@H](c3noc(C(C)C)n3)C2)c1-c1nn[n-]n1 ZINC000826344936 948016257 /nfs/dbraw/zinc/01/62/57/948016257.db2.gz XACLVWYDLNZVDM-NSHDSACASA-N -1 1 386.416 1.618 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](c2nccn2C)c2ccccc2)c1-c1nnn[n-]1 ZINC000826345892 948030315 /nfs/dbraw/zinc/03/03/15/948030315.db2.gz XGLYFUBEMGHUPH-MRXNPFEDSA-N -1 1 378.396 1.345 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](c2nccn2C)c2ccccc2)c1-c1nn[n-]n1 ZINC000826345892 948030325 /nfs/dbraw/zinc/03/03/25/948030325.db2.gz XGLYFUBEMGHUPH-MRXNPFEDSA-N -1 1 378.396 1.345 20 0 GDADMM C[C@@H](C(=O)NC1(CNc2cncc(-c3nnn[n-]3)n2)CCCC1)C(C)(F)F ZINC001573663049 948033327 /nfs/dbraw/zinc/03/33/27/948033327.db2.gz IOCCDGPGBZZPQG-JTQLQIEISA-N -1 1 380.403 1.789 20 0 GDADMM C[C@@H](C(=O)NC1(CNc2cncc(-c3nn[n-]n3)n2)CCCC1)C(C)(F)F ZINC001573663049 948033334 /nfs/dbraw/zinc/03/33/34/948033334.db2.gz IOCCDGPGBZZPQG-JTQLQIEISA-N -1 1 380.403 1.789 20 0 GDADMM Cc1onc(CC(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)c1-c1nnn[n-]1 ZINC000826347095 948048137 /nfs/dbraw/zinc/04/81/37/948048137.db2.gz FCWVFHYPSHNGMS-LLVKDONJSA-N -1 1 391.432 1.221 20 0 GDADMM Cc1onc(CC(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)c1-c1nn[n-]n1 ZINC000826347095 948048146 /nfs/dbraw/zinc/04/81/46/948048146.db2.gz FCWVFHYPSHNGMS-LLVKDONJSA-N -1 1 391.432 1.221 20 0 GDADMM Cc1onc(CC(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)c1-c1nnn[n-]1 ZINC000826347055 948048317 /nfs/dbraw/zinc/04/83/17/948048317.db2.gz CUELRLICNJLSBT-GFCCVEGCSA-N -1 1 397.222 1.862 20 0 GDADMM Cc1onc(CC(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)c1-c1nn[n-]n1 ZINC000826347055 948048323 /nfs/dbraw/zinc/04/83/23/948048323.db2.gz CUELRLICNJLSBT-GFCCVEGCSA-N -1 1 397.222 1.862 20 0 GDADMM Cc1onc(CC(=O)NCCCOc2cccc3cccnc32)c1-c1nnn[n-]1 ZINC000826347625 948058359 /nfs/dbraw/zinc/05/83/59/948058359.db2.gz YBFZVOYEGZJZDH-UHFFFAOYSA-N -1 1 393.407 1.839 20 0 GDADMM Cc1onc(CC(=O)NCCCOc2cccc3cccnc32)c1-c1nn[n-]n1 ZINC000826347625 948058369 /nfs/dbraw/zinc/05/83/69/948058369.db2.gz YBFZVOYEGZJZDH-UHFFFAOYSA-N -1 1 393.407 1.839 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(N3CCOC[C@H]3C)cc2)c1-c1nnn[n-]1 ZINC000826348551 948076746 /nfs/dbraw/zinc/07/67/46/948076746.db2.gz RVSFHBAGVTTXHW-LLVKDONJSA-N -1 1 383.412 1.569 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(N3CCOC[C@H]3C)cc2)c1-c1nn[n-]n1 ZINC000826348551 948076753 /nfs/dbraw/zinc/07/67/53/948076753.db2.gz RVSFHBAGVTTXHW-LLVKDONJSA-N -1 1 383.412 1.569 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)c1-c1nnn[n-]1 ZINC000826348594 948078978 /nfs/dbraw/zinc/07/89/78/948078978.db2.gz UQMLXMVHNIFQFW-UHFFFAOYSA-N -1 1 383.412 1.873 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)c1-c1nn[n-]n1 ZINC000826348594 948078991 /nfs/dbraw/zinc/07/89/91/948078991.db2.gz UQMLXMVHNIFQFW-UHFFFAOYSA-N -1 1 383.412 1.873 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1)C(C)(F)F ZINC001573673903 948115087 /nfs/dbraw/zinc/11/50/87/948115087.db2.gz MCFSGPBMLFCNIC-NKWVEPMBSA-N -1 1 391.835 1.963 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1)C(C)(F)F ZINC001573673903 948115089 /nfs/dbraw/zinc/11/50/89/948115089.db2.gz MCFSGPBMLFCNIC-NKWVEPMBSA-N -1 1 391.835 1.963 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C)C(C)(F)F ZINC001573677294 948134658 /nfs/dbraw/zinc/13/46/58/948134658.db2.gz BWJFQKAFEZHZRZ-GXSJLCMTSA-N -1 1 380.403 1.279 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C)C(C)(F)F ZINC001573677294 948134660 /nfs/dbraw/zinc/13/46/60/948134660.db2.gz BWJFQKAFEZHZRZ-GXSJLCMTSA-N -1 1 380.403 1.279 20 0 GDADMM Fc1ccc(-c2nnc3n2C[C@@H](Nc2ccc(-c4nnn[n-]4)nn2)CC3)cc1 ZINC000826373119 948158839 /nfs/dbraw/zinc/15/88/39/948158839.db2.gz ZRRHGAZWFFMTSZ-LBPRGKRZSA-N -1 1 378.375 1.481 20 0 GDADMM Fc1ccc(-c2nnc3n2C[C@@H](Nc2ccc(-c4nn[n-]n4)nn2)CC3)cc1 ZINC000826373119 948158845 /nfs/dbraw/zinc/15/88/45/948158845.db2.gz ZRRHGAZWFFMTSZ-LBPRGKRZSA-N -1 1 378.375 1.481 20 0 GDADMM CC(=O)N1CCC([C@@H]2C[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)CCO2)CC1 ZINC001573432139 948185629 /nfs/dbraw/zinc/18/56/29/948185629.db2.gz FDNYRPGQOHBQCG-ZBFHGGJFSA-N -1 1 386.460 1.183 20 0 GDADMM CC(=O)N1CCC([C@@H]2C[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)CCO2)CC1 ZINC001573432139 948185635 /nfs/dbraw/zinc/18/56/35/948185635.db2.gz FDNYRPGQOHBQCG-ZBFHGGJFSA-N -1 1 386.460 1.183 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCOCC1)C1CCC1 ZINC001573690745 948226851 /nfs/dbraw/zinc/22/68/51/948226851.db2.gz ARBZCDAEYYNNHB-LBPRGKRZSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCOCC1)C1CCC1 ZINC001573690745 948226860 /nfs/dbraw/zinc/22/68/60/948226860.db2.gz ARBZCDAEYYNNHB-LBPRGKRZSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCCC1)[C@H]1CCCO1 ZINC001573692092 948254977 /nfs/dbraw/zinc/25/49/77/948254977.db2.gz LIBFHGRWRJALKG-TZMCWYRMSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCCC1)[C@H]1CCCO1 ZINC001573692092 948254985 /nfs/dbraw/zinc/25/49/85/948254985.db2.gz LIBFHGRWRJALKG-TZMCWYRMSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)C(C)(F)F ZINC001573704012 948360880 /nfs/dbraw/zinc/36/08/80/948360880.db2.gz NYSIVOOXVZNPCU-QWRGUYRKSA-N -1 1 380.403 1.281 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573704012 948360887 /nfs/dbraw/zinc/36/08/87/948360887.db2.gz NYSIVOOXVZNPCU-QWRGUYRKSA-N -1 1 380.403 1.281 20 0 GDADMM C[C@@H](C(=O)NCCC1(CNc2nccnc2-c2nnn[n-]2)CC1)C(F)(F)F ZINC001573704953 948387395 /nfs/dbraw/zinc/38/73/95/948387395.db2.gz CBUYZWIBWBPHNV-VIFPVBQESA-N -1 1 384.366 1.554 20 0 GDADMM C[C@@H](C(=O)NCCC1(CNc2nccnc2-c2nn[n-]n2)CC1)C(F)(F)F ZINC001573704953 948387403 /nfs/dbraw/zinc/38/74/03/948387403.db2.gz CBUYZWIBWBPHNV-VIFPVBQESA-N -1 1 384.366 1.554 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1)C(C)(C)C ZINC001573705318 948398436 /nfs/dbraw/zinc/39/84/36/948398436.db2.gz DVSXHJWLNBDYTL-CHWSQXEVSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1)C(C)(C)C ZINC001573705318 948398446 /nfs/dbraw/zinc/39/84/46/948398446.db2.gz DVSXHJWLNBDYTL-CHWSQXEVSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCC1(F)F)C1CC1 ZINC001573705574 948403532 /nfs/dbraw/zinc/40/35/32/948403532.db2.gz GBTXJZZHICZYNZ-CMPLNLGQSA-N -1 1 392.414 1.281 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCC1(F)F)C1CC1 ZINC001573705574 948403535 /nfs/dbraw/zinc/40/35/35/948403535.db2.gz GBTXJZZHICZYNZ-CMPLNLGQSA-N -1 1 392.414 1.281 20 0 GDADMM C[C@H](C(=O)NCCC1(CNc2ccc(-c3nnn[n-]3)nn2)CC1)n1cccc1 ZINC001573705614 948404725 /nfs/dbraw/zinc/40/47/25/948404725.db2.gz GKDKBYVIAJRSQR-CYBMUJFWSA-N -1 1 381.444 1.418 20 0 GDADMM C[C@H](C(=O)NCCC1(CNc2ccc(-c3nn[n-]n3)nn2)CC1)n1cccc1 ZINC001573705614 948404733 /nfs/dbraw/zinc/40/47/33/948404733.db2.gz GKDKBYVIAJRSQR-CYBMUJFWSA-N -1 1 381.444 1.418 20 0 GDADMM O[C@H](COc1ccc(Oc2ccccc2)cc1)Cn1cnc(-c2nn[n-]n2)n1 ZINC000826505379 948423090 /nfs/dbraw/zinc/42/30/90/948423090.db2.gz UJZNIYJZZOAVHG-ZDUSSCGKSA-N -1 1 379.380 1.690 20 0 GDADMM COc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000328488090 971480294 /nfs/dbraw/zinc/48/02/94/971480294.db2.gz IBRMFACISLNTMG-UHFFFAOYSA-N -1 1 385.419 1.598 20 0 GDADMM C[C@@H](C(=O)NCC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)C(C)(F)F ZINC001573714025 948469084 /nfs/dbraw/zinc/46/90/84/948469084.db2.gz CQRFVQJEUQJWJJ-QWRGUYRKSA-N -1 1 380.403 1.281 20 0 GDADMM C[C@@H](C(=O)NCC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573714025 948469088 /nfs/dbraw/zinc/46/90/88/948469088.db2.gz CQRFVQJEUQJWJJ-QWRGUYRKSA-N -1 1 380.403 1.281 20 0 GDADMM C[C@H](C(=O)NCCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C1CCC1 ZINC001573714058 948469684 /nfs/dbraw/zinc/46/96/84/948469684.db2.gz CYBKYIYAFGWIHR-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NCCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C1CCC1 ZINC001573714058 948469689 /nfs/dbraw/zinc/46/96/89/948469689.db2.gz CYBKYIYAFGWIHR-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NCCCN(c1cnc(-c2nnn[n-]2)cn1)C1CC1)C1CCCC1 ZINC001573715189 948484767 /nfs/dbraw/zinc/48/47/67/948484767.db2.gz QKRKEDVGKVZADT-CYBMUJFWSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](C(=O)NCCCN(c1cnc(-c2nn[n-]n2)cn1)C1CC1)C1CCCC1 ZINC001573715189 948484772 /nfs/dbraw/zinc/48/47/72/948484772.db2.gz QKRKEDVGKVZADT-CYBMUJFWSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](C(=O)NCC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001573715395 948490039 /nfs/dbraw/zinc/49/00/39/948490039.db2.gz VOFVSMKTBYACJZ-ZJUUUORDSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@H](C(=O)NCC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001573715395 948490040 /nfs/dbraw/zinc/49/00/40/948490040.db2.gz VOFVSMKTBYACJZ-ZJUUUORDSA-N -1 1 384.366 1.188 20 0 GDADMM CC(C)[C@@H](CCNC(=O)[C@@H](C)c1ccco1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573716941 948502926 /nfs/dbraw/zinc/50/29/26/948502926.db2.gz KNGSNKIRRQJSFC-QWHCGFSZSA-N -1 1 384.444 1.418 20 0 GDADMM C[C@@H](C(=O)NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1)c1cccs1 ZINC001573717982 948514680 /nfs/dbraw/zinc/51/46/80/948514680.db2.gz GFOKUXSOEVEXIB-LLVKDONJSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1nc(Cl)c(-c2nnn[n-]2)s1)c1cccnc1 ZINC001573721299 948539858 /nfs/dbraw/zinc/53/98/58/948539858.db2.gz WSOMSNULDNDMEI-VIFPVBQESA-N -1 1 392.876 1.728 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1nc(Cl)c(-c2nn[n-]n2)s1)c1cccnc1 ZINC001573721299 948539862 /nfs/dbraw/zinc/53/98/62/948539862.db2.gz WSOMSNULDNDMEI-VIFPVBQESA-N -1 1 392.876 1.728 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001573727328 948553842 /nfs/dbraw/zinc/55/38/42/948553842.db2.gz MDAVOHMDYYXIQO-RWMBFGLXSA-N -1 1 382.428 1.172 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cccnc1 ZINC001573728665 948563766 /nfs/dbraw/zinc/56/37/66/948563766.db2.gz QITGWPXLEXADMG-BZPMIXESSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573728665 948563773 /nfs/dbraw/zinc/56/37/73/948563773.db2.gz QITGWPXLEXADMG-BZPMIXESSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cccnc1 ZINC001573729018 948566007 /nfs/dbraw/zinc/56/60/07/948566007.db2.gz SFBLGBGKGMEEFB-SGMGOOAPSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cccnc1 ZINC001573729018 948566014 /nfs/dbraw/zinc/56/60/14/948566014.db2.gz SFBLGBGKGMEEFB-SGMGOOAPSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@H](C(=O)NCc1ccc(-c2nn[n-]n2)s1)c1ccc(S(C)(=O)=O)cc1 ZINC001573729124 948566156 /nfs/dbraw/zinc/56/61/56/948566156.db2.gz HFERHDKRCLEWQW-JTQLQIEISA-N -1 1 391.478 1.752 20 0 GDADMM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccsc1 ZINC001573729701 948571010 /nfs/dbraw/zinc/57/10/10/948571010.db2.gz JDGGNVKTZAVPQW-GVXVVHGQSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccsc1 ZINC001573729701 948571013 /nfs/dbraw/zinc/57/10/13/948571013.db2.gz JDGGNVKTZAVPQW-GVXVVHGQSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)NCc1ccc2c(c1)CN(c1nccnc1-c1nnn[n-]1)C2)C1CC1 ZINC001573730981 948587330 /nfs/dbraw/zinc/58/73/30/948587330.db2.gz UQTZPJBJUOWEJP-GFCCVEGCSA-N -1 1 390.451 1.839 20 0 GDADMM C[C@@H](C(=O)NCc1ccc2c(c1)CN(c1nccnc1-c1nn[n-]n1)C2)C1CC1 ZINC001573730981 948587338 /nfs/dbraw/zinc/58/73/38/948587338.db2.gz UQTZPJBJUOWEJP-GFCCVEGCSA-N -1 1 390.451 1.839 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C)c1ccsc1 ZINC001573739546 948620624 /nfs/dbraw/zinc/62/06/24/948620624.db2.gz FBCGFBYYJHQYGJ-UHIISALHSA-N -1 1 384.469 1.463 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C)c1ccsc1 ZINC001573739546 948620628 /nfs/dbraw/zinc/62/06/28/948620628.db2.gz FBCGFBYYJHQYGJ-UHIISALHSA-N -1 1 384.469 1.463 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1)C1CCCC1 ZINC001573740784 948642799 /nfs/dbraw/zinc/64/27/99/948642799.db2.gz SNJYBXXEAQBDRX-CUBALJKWSA-N -1 1 382.472 1.709 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1)C1CCCC1 ZINC001573740784 948642802 /nfs/dbraw/zinc/64/28/02/948642802.db2.gz SNJYBXXEAQBDRX-CUBALJKWSA-N -1 1 382.472 1.709 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H](C)c1c(F)cccc1F ZINC001573740983 948647105 /nfs/dbraw/zinc/64/71/05/948647105.db2.gz VWHHNGKWCWAXGL-NXEZZACHSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H](C)c1c(F)cccc1F ZINC001573740983 948647110 /nfs/dbraw/zinc/64/71/10/948647110.db2.gz VWHHNGKWCWAXGL-NXEZZACHSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H](C)c1ccc(F)cc1F ZINC001573742578 948663388 /nfs/dbraw/zinc/66/33/88/948663388.db2.gz MOYNJEAAARXZCT-ZJUUUORDSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)c1ccc(F)cc1F ZINC001573742578 948663391 /nfs/dbraw/zinc/66/33/91/948663391.db2.gz MOYNJEAAARXZCT-ZJUUUORDSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC001573752337 948712043 /nfs/dbraw/zinc/71/20/43/948712043.db2.gz MZFHVERNTCRIJV-RFHZTLPTSA-N -1 1 380.412 1.279 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC001573752337 948712048 /nfs/dbraw/zinc/71/20/48/948712048.db2.gz MZFHVERNTCRIJV-RFHZTLPTSA-N -1 1 380.412 1.279 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1)c1ccco1 ZINC001573752997 948716510 /nfs/dbraw/zinc/71/65/10/948716510.db2.gz QCDHJFFHDVQHBW-NMKXLXIOSA-N -1 1 380.412 1.279 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1)c1ccco1 ZINC001573752997 948716516 /nfs/dbraw/zinc/71/65/16/948716516.db2.gz QCDHJFFHDVQHBW-NMKXLXIOSA-N -1 1 380.412 1.279 20 0 GDADMM CC(C)c1ccc(C(=O)NCC2(Nc3nccnc3-c3nnn[n-]3)CC2)cn1 ZINC001574416492 948748481 /nfs/dbraw/zinc/74/84/81/948748481.db2.gz VNGJDNFJJSJBQH-UHFFFAOYSA-N -1 1 379.428 1.550 20 0 GDADMM CC(C)c1ccc(C(=O)NCC2(Nc3nccnc3-c3nn[n-]n3)CC2)cn1 ZINC001574416492 948748488 /nfs/dbraw/zinc/74/84/88/948748488.db2.gz VNGJDNFJJSJBQH-UHFFFAOYSA-N -1 1 379.428 1.550 20 0 GDADMM CC(C)[C@H](F)C(=O)N[C@@H]1[C@H]2CN(c3nc(-c4nn[n-]n4)c(Cl)s3)C[C@H]21 ZINC001574078961 948760465 /nfs/dbraw/zinc/76/04/65/948760465.db2.gz GXATVFOPSOVGQW-UYXSQOIJSA-N -1 1 385.856 1.522 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)C(C)(C)C1CCOCC1 ZINC001574679040 948762346 /nfs/dbraw/zinc/76/23/46/948762346.db2.gz MGMJFRRGMTXBCW-GFCCVEGCSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)C(C)(C)C1CCOCC1 ZINC001574679040 948762354 /nfs/dbraw/zinc/76/23/54/948762354.db2.gz MGMJFRRGMTXBCW-GFCCVEGCSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1onc2c1CCCC2 ZINC001574679124 948767677 /nfs/dbraw/zinc/76/76/77/948767677.db2.gz OCHUEXSBRPNRKR-JTQLQIEISA-N -1 1 383.416 1.144 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1onc2c1CCCC2 ZINC001574679124 948767688 /nfs/dbraw/zinc/76/76/88/948767688.db2.gz OCHUEXSBRPNRKR-JTQLQIEISA-N -1 1 383.416 1.144 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ncsc1C1CC1 ZINC001574679306 948774961 /nfs/dbraw/zinc/77/49/61/948774961.db2.gz SKRVQICTIZQTPR-SECBINFHSA-N -1 1 385.457 1.611 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ncsc1C1CC1 ZINC001574679306 948774968 /nfs/dbraw/zinc/77/49/68/948774968.db2.gz SKRVQICTIZQTPR-SECBINFHSA-N -1 1 385.457 1.611 20 0 GDADMM CC(F)(F)C1(C(=O)NCC[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001575223996 948777532 /nfs/dbraw/zinc/77/75/32/948777532.db2.gz SISTWVRMFNTTDA-LLVKDONJSA-N -1 1 392.414 1.425 20 0 GDADMM CC(F)(F)C1(C(=O)NCC[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001575223996 948777544 /nfs/dbraw/zinc/77/75/44/948777544.db2.gz SISTWVRMFNTTDA-LLVKDONJSA-N -1 1 392.414 1.425 20 0 GDADMM CC(C)c1cccc(C(=O)NCC[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001574418670 948780846 /nfs/dbraw/zinc/78/08/46/948780846.db2.gz ZUEBIIBBUYVNCE-LBPRGKRZSA-N -1 1 381.444 1.796 20 0 GDADMM CC(C)c1cccc(C(=O)NCC[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001574418670 948780851 /nfs/dbraw/zinc/78/08/51/948780851.db2.gz ZUEBIIBBUYVNCE-LBPRGKRZSA-N -1 1 381.444 1.796 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001574419302 948780967 /nfs/dbraw/zinc/78/09/67/948780967.db2.gz ACIQBIHIJXMYAD-HAQNSBGRSA-N -1 1 379.428 1.548 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001574419302 948780974 /nfs/dbraw/zinc/78/09/74/948780974.db2.gz ACIQBIHIJXMYAD-HAQNSBGRSA-N -1 1 379.428 1.548 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@H](C)[C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001574418556 948781384 /nfs/dbraw/zinc/78/13/84/948781384.db2.gz YGDSJKWRRRCYQM-VXGBXAGGSA-N -1 1 381.444 1.794 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@H](C)[C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001574418556 948781391 /nfs/dbraw/zinc/78/13/91/948781391.db2.gz YGDSJKWRRRCYQM-VXGBXAGGSA-N -1 1 381.444 1.794 20 0 GDADMM CC(C)c1ccccc1C(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574419337 948783814 /nfs/dbraw/zinc/78/38/14/948783814.db2.gz BWEAXXPHHDIDTP-UHFFFAOYSA-N -1 1 378.440 1.743 20 0 GDADMM CC(C)c1ccccc1C(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574419337 948783821 /nfs/dbraw/zinc/78/38/21/948783821.db2.gz BWEAXXPHHDIDTP-UHFFFAOYSA-N -1 1 378.440 1.743 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1scnc1Cl ZINC001574679592 948790345 /nfs/dbraw/zinc/79/03/45/948790345.db2.gz YKYJCONAYCWPRA-SSDOTTSWSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1scnc1Cl ZINC001574679592 948790354 /nfs/dbraw/zinc/79/03/54/948790354.db2.gz YKYJCONAYCWPRA-SSDOTTSWSA-N -1 1 379.837 1.387 20 0 GDADMM CC(C)c1ccccc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574420007 948792668 /nfs/dbraw/zinc/79/26/68/948792668.db2.gz OQEREIVKRQGPMC-CYBMUJFWSA-N -1 1 378.440 1.529 20 0 GDADMM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)n1)S(=O)(=O)c1ccc(F)cc1 ZINC001573756239 948806923 /nfs/dbraw/zinc/80/69/23/948806923.db2.gz OVHZNQAYSKKRJD-VIFPVBQESA-N -1 1 376.373 1.202 20 0 GDADMM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)n1)S(=O)(=O)c1ccc(F)cc1 ZINC001573756239 948806936 /nfs/dbraw/zinc/80/69/36/948806936.db2.gz OVHZNQAYSKKRJD-VIFPVBQESA-N -1 1 376.373 1.202 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@H]2[C@@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001575226224 948815107 /nfs/dbraw/zinc/81/51/07/948815107.db2.gz JJKRYXFSKAATLJ-RYUDHWBXSA-N -1 1 378.387 1.272 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@H]2[C@@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001575226224 948815132 /nfs/dbraw/zinc/81/51/32/948815132.db2.gz JJKRYXFSKAATLJ-RYUDHWBXSA-N -1 1 378.387 1.272 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cc2c(o1)CCCC2 ZINC001574681733 948824027 /nfs/dbraw/zinc/82/40/27/948824027.db2.gz NIHSFPVZKJYVOX-NSHDSACASA-N -1 1 382.428 1.749 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cc2c(o1)CCCC2 ZINC001574681733 948824046 /nfs/dbraw/zinc/82/40/46/948824046.db2.gz NIHSFPVZKJYVOX-NSHDSACASA-N -1 1 382.428 1.749 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[C@H]1CCC(F)(F)C1 ZINC001574682611 948831920 /nfs/dbraw/zinc/83/19/20/948831920.db2.gz QZOIZLYEGOLDBY-GHMZBOCLSA-N -1 1 380.403 1.789 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[C@H]1CCC(F)(F)C1 ZINC001574682611 948831938 /nfs/dbraw/zinc/83/19/38/948831938.db2.gz QZOIZLYEGOLDBY-GHMZBOCLSA-N -1 1 380.403 1.789 20 0 GDADMM CC(C)c1ccsc1C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574424111 948839214 /nfs/dbraw/zinc/83/92/14/948839214.db2.gz FKZJUNDYUSNARQ-JTQLQIEISA-N -1 1 388.457 1.044 20 0 GDADMM CC(C)c1ccsc1C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574424111 948839231 /nfs/dbraw/zinc/83/92/31/948839231.db2.gz FKZJUNDYUSNARQ-JTQLQIEISA-N -1 1 388.457 1.044 20 0 GDADMM CC(C)c1ccsc1C(=O)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574424789 948864366 /nfs/dbraw/zinc/86/43/66/948864366.db2.gz VQKWEISHQUBUIM-UHFFFAOYSA-N -1 1 384.469 1.804 20 0 GDADMM CC(F)(F)CC(=O)N[C@H]1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575231943 948868169 /nfs/dbraw/zinc/86/81/69/948868169.db2.gz BIRZECZLQMYEME-MNOVXSKESA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CC(=O)N[C@H]1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575231943 948868188 /nfs/dbraw/zinc/86/81/88/948868188.db2.gz BIRZECZLQMYEME-MNOVXSKESA-N -1 1 380.403 1.789 20 0 GDADMM CC(C)[C@@]1(C)C[C@H]1C(=O)N(C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574082985 948874095 /nfs/dbraw/zinc/87/40/95/948874095.db2.gz MVHFNLMPANQXMP-IFXJQAMLSA-N -1 1 384.488 1.766 20 0 GDADMM CC(C)[C@@]1(C)C[C@H]1C(=O)N(C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574082985 948874103 /nfs/dbraw/zinc/87/41/03/948874103.db2.gz MVHFNLMPANQXMP-IFXJQAMLSA-N -1 1 384.488 1.766 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001575233465 948880813 /nfs/dbraw/zinc/88/08/13/948880813.db2.gz IUQHVRKKFYLZQB-AXFHLTTASA-N -1 1 378.387 1.176 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001575233465 948880829 /nfs/dbraw/zinc/88/08/29/948880829.db2.gz IUQHVRKKFYLZQB-AXFHLTTASA-N -1 1 378.387 1.176 20 0 GDADMM CC(F)(F)CC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCCCC1 ZINC001575233492 948889308 /nfs/dbraw/zinc/88/93/08/948889308.db2.gz JMBKBHZJUHDSLD-UHFFFAOYSA-N -1 1 380.403 1.355 20 0 GDADMM CC(C)(C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccnc(-c2nn[n-]n2)n1)C(F)F ZINC001573764946 948893779 /nfs/dbraw/zinc/89/37/79/948893779.db2.gz SCTNXWMYSJKSRJ-MNOVXSKESA-N -1 1 392.414 1.518 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CC[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@@H]2C1 ZINC001575234208 948896232 /nfs/dbraw/zinc/89/62/32/948896232.db2.gz PQJLNZAPKDULHO-GRYCIOLGSA-N -1 1 392.414 1.423 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CC[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@@H]2C1 ZINC001575234208 948896247 /nfs/dbraw/zinc/89/62/47/948896247.db2.gz PQJLNZAPKDULHO-GRYCIOLGSA-N -1 1 392.414 1.423 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@](C)(CNc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001575234366 948898934 /nfs/dbraw/zinc/89/89/34/948898934.db2.gz BIFKVNVJSVEMEM-HNNXBMFYSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@](C)(CNc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001575234366 948898948 /nfs/dbraw/zinc/89/89/48/948898948.db2.gz BIFKVNVJSVEMEM-HNNXBMFYSA-N -1 1 380.403 1.789 20 0 GDADMM CC(C)(C(=O)N1CC[C@H]2[C@@H](CCN2c2cnc(-c3nnn[n-]3)cn2)C1)C(F)F ZINC001573765197 948900991 /nfs/dbraw/zinc/90/09/91/948900991.db2.gz WFIGZNBDGWLBID-JQWIXIFHSA-N -1 1 392.414 1.375 20 0 GDADMM CC(C)(C(=O)N1CC[C@H]2[C@@H](CCN2c2cnc(-c3nn[n-]n3)cn2)C1)C(F)F ZINC001573765197 948900996 /nfs/dbraw/zinc/90/09/96/948900996.db2.gz WFIGZNBDGWLBID-JQWIXIFHSA-N -1 1 392.414 1.375 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@H]2[C@@H](CCN2c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575234818 948908205 /nfs/dbraw/zinc/90/82/05/948908205.db2.gz GSEAWOMZDMZIIC-AAEUAGOBSA-N -1 1 392.414 1.519 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@H]2[C@@H](CCN2c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575234818 948908217 /nfs/dbraw/zinc/90/82/17/948908217.db2.gz GSEAWOMZDMZIIC-AAEUAGOBSA-N -1 1 392.414 1.519 20 0 GDADMM CC(F)(F)CC(=O)NC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001575235526 948923093 /nfs/dbraw/zinc/92/30/93/948923093.db2.gz VZMBZDIKEFZYJD-GFCCVEGCSA-N -1 1 388.382 1.971 20 0 GDADMM CC(F)(F)CC(=O)NC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001575235526 948923100 /nfs/dbraw/zinc/92/31/00/948923100.db2.gz VZMBZDIKEFZYJD-GFCCVEGCSA-N -1 1 388.382 1.971 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@]2(C)C1)C1CC1 ZINC001573765768 948923878 /nfs/dbraw/zinc/92/38/78/948923878.db2.gz FGZULFHDLIHHGP-YJYMSZOUSA-N -1 1 382.472 1.378 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1)C1CCC1 ZINC001573765757 948924187 /nfs/dbraw/zinc/92/41/87/948924187.db2.gz DOJBMOFDEJDCFT-BETUJISGSA-N -1 1 382.472 1.378 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1)C1CCC1 ZINC001573765757 948924196 /nfs/dbraw/zinc/92/41/96/948924196.db2.gz DOJBMOFDEJDCFT-BETUJISGSA-N -1 1 382.472 1.378 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1)C(F)F ZINC001573765837 948926624 /nfs/dbraw/zinc/92/66/24/948926624.db2.gz MGLWTZQXKNPVJT-MNOVXSKESA-N -1 1 392.414 1.233 20 0 GDADMM CC(C)[C@]1(C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001574088879 948938033 /nfs/dbraw/zinc/93/80/33/948938033.db2.gz GUEAOBNRYYGDAA-LJPSSGMGSA-N -1 1 382.472 1.519 20 0 GDADMM CC(C)[C@]1(C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001574088879 948938046 /nfs/dbraw/zinc/93/80/46/948938046.db2.gz GUEAOBNRYYGDAA-LJPSSGMGSA-N -1 1 382.472 1.519 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC001575236247 948938377 /nfs/dbraw/zinc/93/83/77/948938377.db2.gz YPSTWZGMZBFBLC-QWHCGFSZSA-N -1 1 392.414 1.662 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC001575236247 948938389 /nfs/dbraw/zinc/93/83/89/948938389.db2.gz YPSTWZGMZBFBLC-QWHCGFSZSA-N -1 1 392.414 1.662 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C1CCC1 ZINC001573771278 948938499 /nfs/dbraw/zinc/93/84/99/948938499.db2.gz FANAGFKANXWWDR-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C1CCC1 ZINC001573771278 948938509 /nfs/dbraw/zinc/93/85/09/948938509.db2.gz FANAGFKANXWWDR-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)[C@H]1C[C@@H](CC(=O)NCCN(C)c2nccnc2-c2nnn[n-]2)CCO1 ZINC001574089196 948947723 /nfs/dbraw/zinc/94/77/23/948947723.db2.gz DLHNLKDMWXFKTM-UONOGXRCSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)[C@H]1C[C@@H](CC(=O)NCCN(C)c2nccnc2-c2nn[n-]n2)CCO1 ZINC001574089196 948947731 /nfs/dbraw/zinc/94/77/31/948947731.db2.gz DLHNLKDMWXFKTM-UONOGXRCSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001573771895 948948972 /nfs/dbraw/zinc/94/89/72/948948972.db2.gz NSPJFVXGAUSIBB-OAHLLOKOSA-N -1 1 392.467 1.720 20 0 GDADMM CC(C)(C(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)c1ccccc1 ZINC001573772039 948950651 /nfs/dbraw/zinc/95/06/51/948950651.db2.gz PFBIISWJKZCQNJ-HNNXBMFYSA-N -1 1 392.467 1.941 20 0 GDADMM CC(C)(C(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)c1ccccc1 ZINC001573772039 948950661 /nfs/dbraw/zinc/95/06/61/948950661.db2.gz PFBIISWJKZCQNJ-HNNXBMFYSA-N -1 1 392.467 1.941 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574433164 948951132 /nfs/dbraw/zinc/95/11/32/948951132.db2.gz JSDWEEJHZBZLMC-AOOOYVTPSA-N -1 1 385.457 1.031 20 0 GDADMM CC(C)(C(=O)N[C@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2)C(F)F ZINC001573772565 948961531 /nfs/dbraw/zinc/96/15/31/948961531.db2.gz UZTXZVPMCMMYDI-JTQLQIEISA-N -1 1 392.414 1.423 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C(F)F ZINC001573772604 948965014 /nfs/dbraw/zinc/96/50/14/948965014.db2.gz VWMSEZJQPWOEMT-ZJUUUORDSA-N -1 1 380.403 1.209 20 0 GDADMM CC(C)(C(=O)NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)c1ccccc1 ZINC001573773349 948981088 /nfs/dbraw/zinc/98/10/88/948981088.db2.gz LKHRCSKIBHGPAB-UHFFFAOYSA-N -1 1 392.467 1.720 20 0 GDADMM CC(C)(C(=O)NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)c1ccccc1 ZINC001573773349 948981101 /nfs/dbraw/zinc/98/11/01/948981101.db2.gz LKHRCSKIBHGPAB-UHFFFAOYSA-N -1 1 392.467 1.720 20 0 GDADMM CC(C)c1nnsc1C(=O)NCC=CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001574439479 949009159 /nfs/dbraw/zinc/00/91/59/949009159.db2.gz FOQOPICWYOBKEG-ONEGZZNKSA-N -1 1 386.445 1.030 20 0 GDADMM CC(C)c1nnsc1C(=O)NCC=CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001574439479 949009173 /nfs/dbraw/zinc/00/91/73/949009173.db2.gz FOQOPICWYOBKEG-ONEGZZNKSA-N -1 1 386.445 1.030 20 0 GDADMM CC(C)(C(=O)NC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1)c1ccccc1 ZINC001573774587 949018822 /nfs/dbraw/zinc/01/88/22/949018822.db2.gz OHRMBZJPTATINF-OAHLLOKOSA-N -1 1 392.467 1.941 20 0 GDADMM CC(C)(C(=O)NC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1)c1ccccc1 ZINC001573774587 949018840 /nfs/dbraw/zinc/01/88/40/949018840.db2.gz OHRMBZJPTATINF-OAHLLOKOSA-N -1 1 392.467 1.941 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)C1CCC(F)(F)CC1 ZINC001574691434 949026930 /nfs/dbraw/zinc/02/69/30/949026930.db2.gz XRGHFCRERCZVOZ-JTQLQIEISA-N -1 1 380.403 1.789 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)C1CCC(F)(F)CC1 ZINC001574691434 949026950 /nfs/dbraw/zinc/02/69/50/949026950.db2.gz XRGHFCRERCZVOZ-JTQLQIEISA-N -1 1 380.403 1.789 20 0 GDADMM CC(C)(C(=O)NC[C@H](Nc1nccnc1-c1nnn[n-]1)C1CC1)c1ccccc1 ZINC001573775034 949032412 /nfs/dbraw/zinc/03/24/12/949032412.db2.gz SIQGHACLJVAJQU-HNNXBMFYSA-N -1 1 392.467 1.941 20 0 GDADMM CC(C)(C(=O)NC[C@H](Nc1nccnc1-c1nn[n-]n1)C1CC1)c1ccccc1 ZINC001573775034 949032425 /nfs/dbraw/zinc/03/24/25/949032425.db2.gz SIQGHACLJVAJQU-HNNXBMFYSA-N -1 1 392.467 1.941 20 0 GDADMM CC(C)(C(=O)NC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1)C(F)(F)F ZINC001573775640 949043132 /nfs/dbraw/zinc/04/31/32/949043132.db2.gz YYDGNSZDCCXNRJ-SECBINFHSA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)(C(=O)NC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1)C(F)(F)F ZINC001573775640 949043152 /nfs/dbraw/zinc/04/31/52/949043152.db2.gz YYDGNSZDCCXNRJ-SECBINFHSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](CNC(=O)COC(C)(C)C)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574928236 949056499 /nfs/dbraw/zinc/05/64/99/949056499.db2.gz NGUXMCDYVSZINA-QMMMGPOBSA-N -1 1 387.897 1.956 20 0 GDADMM C[C@@H](CNC(=O)COC(C)(C)C)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574928236 949056519 /nfs/dbraw/zinc/05/65/19/949056519.db2.gz NGUXMCDYVSZINA-QMMMGPOBSA-N -1 1 387.897 1.956 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)C1CCCC1 ZINC001573779300 949060754 /nfs/dbraw/zinc/06/07/54/949060754.db2.gz GRIOTKDLZOCKDK-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)C1CCCC1 ZINC001573779300 949060773 /nfs/dbraw/zinc/06/07/73/949060773.db2.gz GRIOTKDLZOCKDK-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573779857 949070493 /nfs/dbraw/zinc/07/04/93/949070493.db2.gz NZXCLEISPUCOFK-VIFPVBQESA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@H](NC(=O)C(=O)C(C)(C)C)[C@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001575248309 949071091 /nfs/dbraw/zinc/07/10/91/949071091.db2.gz QPJCMBDWOOLJRY-RQJHMYQMSA-N -1 1 385.881 1.897 20 0 GDADMM C[C@@H](NC(=O)C(=O)C(C)(C)C)[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575248309 949071110 /nfs/dbraw/zinc/07/11/10/949071110.db2.gz QPJCMBDWOOLJRY-RQJHMYQMSA-N -1 1 385.881 1.897 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001573779909 949075807 /nfs/dbraw/zinc/07/58/07/949075807.db2.gz PGTDILIQBZOVTH-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573779909 949075827 /nfs/dbraw/zinc/07/58/27/949075827.db2.gz PGTDILIQBZOVTH-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574443306 949106601 /nfs/dbraw/zinc/10/66/01/949106601.db2.gz XDSJUWCMOGBKLU-NSHDSACASA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574443306 949106616 /nfs/dbraw/zinc/10/66/16/949106616.db2.gz XDSJUWCMOGBKLU-NSHDSACASA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1occc1C(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574445796 949116722 /nfs/dbraw/zinc/11/67/22/949116722.db2.gz DCSRYSXSRYNSFZ-TXEJJXNPSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1occc1C(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574445796 949116728 /nfs/dbraw/zinc/11/67/28/949116728.db2.gz DCSRYSXSRYNSFZ-TXEJJXNPSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)(C(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001573782433 949122830 /nfs/dbraw/zinc/12/28/30/949122830.db2.gz UPQJVFGYYFLZQL-DTORHVGOSA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)(C(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001573782433 949122845 /nfs/dbraw/zinc/12/28/45/949122845.db2.gz UPQJVFGYYFLZQL-DTORHVGOSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1c[nH]nc1C(C)(C)C ZINC001574696413 949127713 /nfs/dbraw/zinc/12/77/13/949127713.db2.gz PZXXURWVQQXGJD-SNVBAGLBSA-N -1 1 384.448 1.298 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1c[nH]nc1C(C)(C)C ZINC001574696413 949127727 /nfs/dbraw/zinc/12/77/27/949127727.db2.gz PZXXURWVQQXGJD-SNVBAGLBSA-N -1 1 384.448 1.298 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1)C(F)F ZINC001573782685 949129172 /nfs/dbraw/zinc/12/91/72/949129172.db2.gz HGLJCYWFTHOXKZ-NXEZZACHSA-N -1 1 380.403 1.787 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1)C(F)F ZINC001573782685 949129190 /nfs/dbraw/zinc/12/91/90/949129190.db2.gz HGLJCYWFTHOXKZ-NXEZZACHSA-N -1 1 380.403 1.787 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001574446458 949131941 /nfs/dbraw/zinc/13/19/41/949131941.db2.gz QKZQQKNCVCWDPB-NSHDSACASA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001574446458 949131954 /nfs/dbraw/zinc/13/19/54/949131954.db2.gz QKZQQKNCVCWDPB-NSHDSACASA-N -1 1 383.416 1.119 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1c(F)cc(F)cc1F ZINC001574696782 949138761 /nfs/dbraw/zinc/13/87/61/949138761.db2.gz UIWGXFCGRTZWSH-MRVPVSSYSA-N -1 1 392.345 1.695 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1c(F)cc(F)cc1F ZINC001574696782 949138774 /nfs/dbraw/zinc/13/87/74/949138774.db2.gz UIWGXFCGRTZWSH-MRVPVSSYSA-N -1 1 392.345 1.695 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1scnc1C1CC1 ZINC001574696825 949140713 /nfs/dbraw/zinc/14/07/13/949140713.db2.gz VLDGTXALLZGUIU-VIFPVBQESA-N -1 1 385.457 1.611 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1scnc1C1CC1 ZINC001574696825 949140730 /nfs/dbraw/zinc/14/07/30/949140730.db2.gz VLDGTXALLZGUIU-VIFPVBQESA-N -1 1 385.457 1.611 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccc2c(c1)CCC2 ZINC001574696793 949142861 /nfs/dbraw/zinc/14/28/61/949142861.db2.gz UNFCBQAFKKWTOJ-LBPRGKRZSA-N -1 1 378.440 1.766 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccc2c(c1)CCC2 ZINC001574696793 949142871 /nfs/dbraw/zinc/14/28/71/949142871.db2.gz UNFCBQAFKKWTOJ-LBPRGKRZSA-N -1 1 378.440 1.766 20 0 GDADMM C[C@@H](CNC(=O)COc1ccc(F)cc1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574933979 949146196 /nfs/dbraw/zinc/14/61/96/949146196.db2.gz AHEHAEIEMPXLPM-LLVKDONJSA-N -1 1 386.391 1.039 20 0 GDADMM C[C@@H](CNC(=O)COc1ccc(F)cc1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574933979 949146212 /nfs/dbraw/zinc/14/62/12/949146212.db2.gz AHEHAEIEMPXLPM-LLVKDONJSA-N -1 1 386.391 1.039 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574446987 949148704 /nfs/dbraw/zinc/14/87/04/949148704.db2.gz FASWGHKWVQIUAT-UHFFFAOYSA-N -1 1 383.416 1.121 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574446987 949148711 /nfs/dbraw/zinc/14/87/11/949148711.db2.gz FASWGHKWVQIUAT-UHFFFAOYSA-N -1 1 383.416 1.121 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H](C)Oc1ccccc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574697741 949160248 /nfs/dbraw/zinc/16/02/48/949160248.db2.gz BMOFYJVYCSASEO-OLZOCXBDSA-N -1 1 382.428 1.383 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H](C)Oc1ccccc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574697741 949160261 /nfs/dbraw/zinc/16/02/61/949160261.db2.gz BMOFYJVYCSASEO-OLZOCXBDSA-N -1 1 382.428 1.383 20 0 GDADMM C[C@@H](NC(=O)C1(CF)CCC1)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575252849 949174333 /nfs/dbraw/zinc/17/43/33/949174333.db2.gz IABZOTSNEUFVOM-CHWSQXEVSA-N -1 1 388.451 1.518 20 0 GDADMM CC(C)c1oncc1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574448343 949186524 /nfs/dbraw/zinc/18/65/24/949186524.db2.gz JCBOSHOVKVMGAN-NSHDSACASA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1oncc1C(=O)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574449476 949201557 /nfs/dbraw/zinc/20/15/57/949201557.db2.gz SXMGHIVHOKRVJU-LLVKDONJSA-N -1 1 383.416 1.342 20 0 GDADMM CC(C)c1oncc1C(=O)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574449476 949201576 /nfs/dbraw/zinc/20/15/76/949201576.db2.gz SXMGHIVHOKRVJU-LLVKDONJSA-N -1 1 383.416 1.342 20 0 GDADMM CC(C)c1oncc1C(=O)N1C[C@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574449893 949201662 /nfs/dbraw/zinc/20/16/62/949201662.db2.gz UVLGIRGXJNCOPU-GXFFZTMASA-N -1 1 383.416 1.341 20 0 GDADMM CC(C)c1oncc1C(=O)N1C[C@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574449893 949201678 /nfs/dbraw/zinc/20/16/78/949201678.db2.gz UVLGIRGXJNCOPU-GXFFZTMASA-N -1 1 383.416 1.341 20 0 GDADMM CC(C)c1oncc1C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001574451071 949210394 /nfs/dbraw/zinc/21/03/94/949210394.db2.gz ARLSMYMYACGKOR-ZWNOBZJWSA-N -1 1 383.416 1.023 20 0 GDADMM CC(C)c1oncc1C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001574451071 949210414 /nfs/dbraw/zinc/21/04/14/949210414.db2.gz ARLSMYMYACGKOR-ZWNOBZJWSA-N -1 1 383.416 1.023 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(Cl)s1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574936618 949212934 /nfs/dbraw/zinc/21/29/34/949212934.db2.gz JQURPKFWTJDOMF-SECBINFHSA-N -1 1 392.876 1.555 20 0 GDADMM CC1(Nc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)C[C@@H]2C[C@H]2C2CC2)CC1 ZINC001575853560 949213544 /nfs/dbraw/zinc/21/35/44/949213544.db2.gz SKQDTZVVMQNAOS-KBPBESRZSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(Nc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)C[C@@H]2C[C@H]2C2CC2)CC1 ZINC001575853560 949213566 /nfs/dbraw/zinc/21/35/66/949213566.db2.gz SKQDTZVVMQNAOS-KBPBESRZSA-N -1 1 382.472 1.886 20 0 GDADMM CC(C)c1scnc1C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574451263 949221697 /nfs/dbraw/zinc/22/16/97/949221697.db2.gz JEBUMLGTOLRKCW-JTQLQIEISA-N -1 1 385.457 1.563 20 0 GDADMM CC(C)c1scnc1C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574451263 949221718 /nfs/dbraw/zinc/22/17/18/949221718.db2.gz JEBUMLGTOLRKCW-JTQLQIEISA-N -1 1 385.457 1.563 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001574451444 949234870 /nfs/dbraw/zinc/23/48/70/949234870.db2.gz PRSKEKLQXWBOJB-GFCCVEGCSA-N -1 1 385.432 1.635 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001574451444 949234882 /nfs/dbraw/zinc/23/48/82/949234882.db2.gz PRSKEKLQXWBOJB-GFCCVEGCSA-N -1 1 385.432 1.635 20 0 GDADMM CC(C)(C)C(=O)N1CCC2(CC1)CCN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001573792511 949248422 /nfs/dbraw/zinc/24/84/22/949248422.db2.gz QEXAWHGQUBKNQG-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC1(c2ccccc2C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001575856894 949256129 /nfs/dbraw/zinc/25/61/29/949256129.db2.gz LCCVIXFLCABSLS-ZDUSSCGKSA-N -1 1 390.451 1.717 20 0 GDADMM CC1(c2ccccc2C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001575856894 949256148 /nfs/dbraw/zinc/25/61/48/949256148.db2.gz LCCVIXFLCABSLS-ZDUSSCGKSA-N -1 1 390.451 1.717 20 0 GDADMM CC(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573792766 949264026 /nfs/dbraw/zinc/26/40/26/949264026.db2.gz VAADLSPIXOINHF-XUXIUFHCSA-N -1 1 382.472 1.376 20 0 GDADMM C[C@H]1CCC[C@@]1(C)C(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001576152826 949264118 /nfs/dbraw/zinc/26/41/18/949264118.db2.gz JQTPEKZFVJLFTF-WZFJYNIESA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H]1CCC[C@@]1(C)C(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001576152826 949264139 /nfs/dbraw/zinc/26/41/39/949264139.db2.gz JQTPEKZFVJLFTF-WZFJYNIESA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H](NC(=O)C1(CF)CCC1)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575257162 949267446 /nfs/dbraw/zinc/26/74/46/949267446.db2.gz YNGTZYKYFQMFFH-STQMWFEESA-N -1 1 388.451 1.518 20 0 GDADMM C[C@H](NC(=O)C1(CF)CCC1)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575257162 949267462 /nfs/dbraw/zinc/26/74/62/949267462.db2.gz YNGTZYKYFQMFFH-STQMWFEESA-N -1 1 388.451 1.518 20 0 GDADMM C[C@H](NC(=O)C1(CF)CCC1)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575257160 949268284 /nfs/dbraw/zinc/26/82/84/949268284.db2.gz YNGTZYKYFQMFFH-QWHCGFSZSA-N -1 1 388.451 1.518 20 0 GDADMM C[C@H](NC(=O)C1(CF)CCC1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575257160 949268308 /nfs/dbraw/zinc/26/83/08/949268308.db2.gz YNGTZYKYFQMFFH-QWHCGFSZSA-N -1 1 388.451 1.518 20 0 GDADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)Cc2ccsc2)CC1 ZINC001575857484 949271354 /nfs/dbraw/zinc/27/13/54/949271354.db2.gz RVGNITBVMRIQKS-UHFFFAOYSA-N -1 1 384.469 1.754 20 0 GDADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)Cc2ccsc2)CC1 ZINC001575857484 949271370 /nfs/dbraw/zinc/27/13/70/949271370.db2.gz RVGNITBVMRIQKS-UHFFFAOYSA-N -1 1 384.469 1.754 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(Cl)c1F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574940640 949272979 /nfs/dbraw/zinc/27/29/79/949272979.db2.gz HZUAPPFETCTJGT-SECBINFHSA-N -1 1 390.810 1.030 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(C(F)F)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574940637 949275248 /nfs/dbraw/zinc/27/52/48/949275248.db2.gz HUXVSLAXZYNRAG-SNVBAGLBSA-N -1 1 388.382 1.754 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(C(F)F)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574940637 949275266 /nfs/dbraw/zinc/27/52/66/949275266.db2.gz HUXVSLAXZYNRAG-SNVBAGLBSA-N -1 1 388.382 1.754 20 0 GDADMM C[C@@H](NC(=O)C1CCC(F)(F)CC1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575257553 949276278 /nfs/dbraw/zinc/27/62/78/949276278.db2.gz AIPNPZHLZXFPPP-VHSXEESVSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@@H](NC(=O)C1CCC(F)(F)CC1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575257553 949276300 /nfs/dbraw/zinc/27/63/00/949276300.db2.gz AIPNPZHLZXFPPP-VHSXEESVSA-N -1 1 380.403 1.787 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)n1 ZINC001575860240 949291971 /nfs/dbraw/zinc/29/19/71/949291971.db2.gz DVNJKLKRJMRHEY-QFYYESIMSA-N -1 1 390.473 1.211 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)n1 ZINC001575860240 949291993 /nfs/dbraw/zinc/29/19/93/949291993.db2.gz DVNJKLKRJMRHEY-QFYYESIMSA-N -1 1 390.473 1.211 20 0 GDADMM C[C@H](NC(=O)C1CC(F)(F)C1)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575258317 949297673 /nfs/dbraw/zinc/29/76/73/949297673.db2.gz GUCZVTLLZPDPQR-QWRGUYRKSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@H](NC(=O)C1CC(F)(F)C1)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575258317 949297695 /nfs/dbraw/zinc/29/76/95/949297695.db2.gz GUCZVTLLZPDPQR-QWRGUYRKSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@H](CN(C)C(=O)C1(c2ccccc2)CC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574703015 949302472 /nfs/dbraw/zinc/30/24/72/949302472.db2.gz OYABSOAOCWEYTH-CYBMUJFWSA-N -1 1 378.440 1.647 20 0 GDADMM C[C@H](CN(C)C(=O)C1(c2ccccc2)CC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574703015 949302496 /nfs/dbraw/zinc/30/24/96/949302496.db2.gz OYABSOAOCWEYTH-CYBMUJFWSA-N -1 1 378.440 1.647 20 0 GDADMM CC(C)n1ccc(C(=O)N[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C2CC2)n1 ZINC001574457362 949324348 /nfs/dbraw/zinc/32/43/48/949324348.db2.gz JAFQBPOIVAMXBK-AWEZNQCLSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1ccc(C(=O)N[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C2CC2)n1 ZINC001574457362 949324372 /nfs/dbraw/zinc/32/43/72/949324372.db2.gz JAFQBPOIVAMXBK-AWEZNQCLSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1ccc(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001574457392 949327088 /nfs/dbraw/zinc/32/70/88/949327088.db2.gz KCRZOBPTUNXWKW-TXEJJXNPSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1ccc(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001574457392 949327111 /nfs/dbraw/zinc/32/71/11/949327111.db2.gz KCRZOBPTUNXWKW-TXEJJXNPSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(C2CC2)c1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574942305 949351548 /nfs/dbraw/zinc/35/15/48/949351548.db2.gz YDKARYXHRZRCRZ-CYBMUJFWSA-N -1 1 392.467 1.718 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(C2CC2)c1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574942305 949351567 /nfs/dbraw/zinc/35/15/67/949351567.db2.gz YDKARYXHRZRCRZ-CYBMUJFWSA-N -1 1 392.467 1.718 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C ZINC001574463782 949381558 /nfs/dbraw/zinc/38/15/58/949381558.db2.gz ABFGGQUXUUHSIZ-TZMCWYRMSA-N -1 1 381.444 1.294 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C ZINC001574463782 949381580 /nfs/dbraw/zinc/38/15/80/949381580.db2.gz ABFGGQUXUUHSIZ-TZMCWYRMSA-N -1 1 381.444 1.294 20 0 GDADMM C[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)[C@H](C)NC(=O)C1CCOCC1 ZINC001575262782 949384023 /nfs/dbraw/zinc/38/40/23/949384023.db2.gz CCGQTMYPCPWLMT-JGVFFNPUSA-N -1 1 385.881 1.708 20 0 GDADMM C[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)[C@H](C)NC(=O)C1CCOCC1 ZINC001575262782 949384044 /nfs/dbraw/zinc/38/40/44/949384044.db2.gz CCGQTMYPCPWLMT-JGVFFNPUSA-N -1 1 385.881 1.708 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574704466 949389743 /nfs/dbraw/zinc/38/97/43/949389743.db2.gz NAMWZQSYTKBHKT-PZLGEANOSA-N -1 1 390.451 1.501 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574704466 949389769 /nfs/dbraw/zinc/38/97/69/949389769.db2.gz NAMWZQSYTKBHKT-PZLGEANOSA-N -1 1 390.451 1.501 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cc[nH]c1 ZINC001576155301 949393004 /nfs/dbraw/zinc/39/30/04/949393004.db2.gz HTWRHFFOIZCOKW-XIKOKIGWSA-N -1 1 381.444 1.776 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cc[nH]c1 ZINC001576155301 949393029 /nfs/dbraw/zinc/39/30/29/949393029.db2.gz HTWRHFFOIZCOKW-XIKOKIGWSA-N -1 1 381.444 1.776 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574464560 949416125 /nfs/dbraw/zinc/41/61/25/949416125.db2.gz LUJQUIQGEKNHTG-CYBMUJFWSA-N -1 1 381.444 1.295 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574464560 949416144 /nfs/dbraw/zinc/41/61/44/949416144.db2.gz LUJQUIQGEKNHTG-CYBMUJFWSA-N -1 1 381.444 1.295 20 0 GDADMM CC(C)(C)C(=O)NC[C@H]1c2ccccc2CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001573802303 949418129 /nfs/dbraw/zinc/41/81/29/949418129.db2.gz DORJLUABEZLMGO-INIZCTEOSA-N -1 1 392.467 1.923 20 0 GDADMM CC(C)(C)C(=O)NC[C@H]1c2ccccc2CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001573802303 949418138 /nfs/dbraw/zinc/41/81/38/949418138.db2.gz DORJLUABEZLMGO-INIZCTEOSA-N -1 1 392.467 1.923 20 0 GDADMM CC1(C(=O)N2C[C@@H]3CCC[C@@H](Nc4cncc(-c5nnn[n-]5)n4)[C@@H]3C2)CCC1 ZINC001575534119 949422697 /nfs/dbraw/zinc/42/26/97/949422697.db2.gz JYHSWDFLBWQAMQ-BFHYXJOUSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(C(=O)N2C[C@@H]3CCC[C@@H](Nc4cncc(-c5nn[n-]n5)n4)[C@@H]3C2)CCC1 ZINC001575534119 949422705 /nfs/dbraw/zinc/42/27/05/949422705.db2.gz JYHSWDFLBWQAMQ-BFHYXJOUSA-N -1 1 382.472 1.886 20 0 GDADMM CC(C)n1cccc1C(=O)NCC1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574465128 949427566 /nfs/dbraw/zinc/42/75/66/949427566.db2.gz PCSPXBKJWMCSMS-UHFFFAOYSA-N -1 1 381.444 1.082 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2(C(F)F)CC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575867331 949433727 /nfs/dbraw/zinc/43/37/27/949433727.db2.gz JFQHPTPODUOZFI-VHSXEESVSA-N -1 1 378.387 1.176 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2(C(F)F)CC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575867331 949433742 /nfs/dbraw/zinc/43/37/42/949433742.db2.gz JFQHPTPODUOZFI-VHSXEESVSA-N -1 1 378.387 1.176 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2(C(F)F)CCC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575867372 949435555 /nfs/dbraw/zinc/43/55/55/949435555.db2.gz JLPQNHATWSQFGC-GHMZBOCLSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2(C(F)F)CCC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575867372 949435565 /nfs/dbraw/zinc/43/55/65/949435565.db2.gz JLPQNHATWSQFGC-GHMZBOCLSA-N -1 1 392.414 1.566 20 0 GDADMM CC1(C(=O)N2CC[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)CC(F)(F)C1 ZINC001575535234 949440907 /nfs/dbraw/zinc/44/09/07/949440907.db2.gz UTPVBUVZZXKVLA-JTQLQIEISA-N -1 1 378.387 1.353 20 0 GDADMM CC1(C(=O)N2CC[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)CC(F)(F)C1 ZINC001575535234 949440913 /nfs/dbraw/zinc/44/09/13/949440913.db2.gz UTPVBUVZZXKVLA-JTQLQIEISA-N -1 1 378.387 1.353 20 0 GDADMM CC1(C(=O)N2CC[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)CC(F)(F)C1 ZINC001575535436 949449761 /nfs/dbraw/zinc/44/97/61/949449761.db2.gz XJVCCLVCBYPTIR-JTQLQIEISA-N -1 1 378.387 1.353 20 0 GDADMM CC1(C(=O)N2CC[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)CC(F)(F)C1 ZINC001575535436 949449779 /nfs/dbraw/zinc/44/97/79/949449779.db2.gz XJVCCLVCBYPTIR-JTQLQIEISA-N -1 1 378.387 1.353 20 0 GDADMM C[C@@]1(C(=O)N2CCC(CNc3cnc(-c4nnn[n-]4)cn3)CC2)CCCOC1 ZINC001575535580 949450217 /nfs/dbraw/zinc/45/02/17/949450217.db2.gz YWDUVUXJLXLFQP-GOSISDBHSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@@]1(C(=O)N2CCC(CNc3cnc(-c4nn[n-]n4)cn3)CC2)CCCOC1 ZINC001575535580 949450230 /nfs/dbraw/zinc/45/02/30/949450230.db2.gz YWDUVUXJLXLFQP-GOSISDBHSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@@H](NC(=O)CC(C)(C)C(F)(F)F)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575265824 949457283 /nfs/dbraw/zinc/45/72/83/949457283.db2.gz VSDYIPNSVOMNHU-RKDXNWHRSA-N -1 1 386.382 1.940 20 0 GDADMM C[C@@H](NC(=O)CC(C)(C)C(F)(F)F)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575265824 949457296 /nfs/dbraw/zinc/45/72/96/949457296.db2.gz VSDYIPNSVOMNHU-RKDXNWHRSA-N -1 1 386.382 1.940 20 0 GDADMM CC(C)n1nccc1C(=O)N1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574468128 949457492 /nfs/dbraw/zinc/45/74/92/949457492.db2.gz LDOOGMRKLYPFHJ-GFCCVEGCSA-N -1 1 382.432 1.008 20 0 GDADMM CC(C)n1nccc1C(=O)N1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574468128 949457503 /nfs/dbraw/zinc/45/75/03/949457503.db2.gz LDOOGMRKLYPFHJ-GFCCVEGCSA-N -1 1 382.432 1.008 20 0 GDADMM C[C@H](NC(=O)CCC1(C)CC1)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575265759 949459206 /nfs/dbraw/zinc/45/92/06/949459206.db2.gz AEUZGHPSNFZJAR-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](NC(=O)CCC1(C)CC1)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575265759 949459228 /nfs/dbraw/zinc/45/92/28/949459228.db2.gz AEUZGHPSNFZJAR-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCC[C@H](OCC(=O)N(C)CCN(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576156877 949464296 /nfs/dbraw/zinc/46/42/96/949464296.db2.gz XIDQSALDWYIBKS-KBPBESRZSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@H]1CCC[C@H](OCC(=O)N(C)CCN(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576156877 949464308 /nfs/dbraw/zinc/46/43/08/949464308.db2.gz XIDQSALDWYIBKS-KBPBESRZSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cc[nH]c1 ZINC001576157456 949481653 /nfs/dbraw/zinc/48/16/53/949481653.db2.gz QUFUAYVNZDSPPQ-KZULUSFZSA-N -1 1 381.444 1.776 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cc[nH]c1 ZINC001576157456 949481668 /nfs/dbraw/zinc/48/16/68/949481668.db2.gz QUFUAYVNZDSPPQ-KZULUSFZSA-N -1 1 381.444 1.776 20 0 GDADMM CC(C)(C)C(=O)NCc1cccc2c1CCN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001573806512 949489712 /nfs/dbraw/zinc/48/97/12/949489712.db2.gz RMGOWQUDJZQAJH-UHFFFAOYSA-N -1 1 392.467 1.882 20 0 GDADMM CC(C)(C)C(=O)NCc1cccc2c1CCN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001573806512 949489724 /nfs/dbraw/zinc/48/97/24/949489724.db2.gz RMGOWQUDJZQAJH-UHFFFAOYSA-N -1 1 392.467 1.882 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2(C(F)F)CCC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575870609 949491354 /nfs/dbraw/zinc/49/13/54/949491354.db2.gz VVBYHINPJHVOHA-GHMZBOCLSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1CCCCO1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574708539 949492664 /nfs/dbraw/zinc/49/26/64/949492664.db2.gz WHIVHUCYCNMXAJ-RKDXNWHRSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1CCCCO1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574708539 949492676 /nfs/dbraw/zinc/49/26/76/949492676.db2.gz WHIVHUCYCNMXAJ-RKDXNWHRSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@]1(C(=O)N2CC[C@]3(CCN(c4nccnc4-c4nnn[n-]4)C3)C2)C=CCC1 ZINC001575537927 949509469 /nfs/dbraw/zinc/50/94/69/949509469.db2.gz BTCKINGXDXNKDU-OALUTQOASA-N -1 1 380.456 1.442 20 0 GDADMM C[C@]1(C(=O)N2CC[C@]3(CCN(c4nccnc4-c4nn[n-]n4)C3)C2)C=CCC1 ZINC001575537927 949509485 /nfs/dbraw/zinc/50/94/85/949509485.db2.gz BTCKINGXDXNKDU-OALUTQOASA-N -1 1 380.456 1.442 20 0 GDADMM CC(C)CC(=O)NC[C@H]1Cc2ccccc2CN1c1ccc(-c2nnn[n-]2)nn1 ZINC001574122045 949519827 /nfs/dbraw/zinc/51/98/27/949519827.db2.gz UCKGYARCTGPOCK-MRXNPFEDSA-N -1 1 392.467 1.750 20 0 GDADMM CC(C)CC(=O)NC[C@H]1Cc2ccccc2CN1c1ccc(-c2nn[n-]n2)nn1 ZINC001574122045 949519840 /nfs/dbraw/zinc/51/98/40/949519840.db2.gz UCKGYARCTGPOCK-MRXNPFEDSA-N -1 1 392.467 1.750 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1CCc2cccnc21)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574711461 949535269 /nfs/dbraw/zinc/53/52/69/949535269.db2.gz HNELNMMASZZFDZ-YPMHNXCESA-N -1 1 379.428 1.041 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1CCc2cccnc21)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574711461 949535277 /nfs/dbraw/zinc/53/52/77/949535277.db2.gz HNELNMMASZZFDZ-YPMHNXCESA-N -1 1 379.428 1.041 20 0 GDADMM C[C@@H]1CCCC[C@@H]1OCC(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001576163981 949543942 /nfs/dbraw/zinc/54/39/42/949543942.db2.gz DVAWIDGAZGVMGN-SYQHCUMBSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H]1CCCC[C@@H]1OCC(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001576163981 949543963 /nfs/dbraw/zinc/54/39/63/949543963.db2.gz DVAWIDGAZGVMGN-SYQHCUMBSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2CC3(CCC3)C2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575873017 949567022 /nfs/dbraw/zinc/56/70/22/949567022.db2.gz MRODXZLQYJEXMW-GXTWGEPZSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2CC3(CCC3)C2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575873017 949567037 /nfs/dbraw/zinc/56/70/37/949567037.db2.gz MRODXZLQYJEXMW-GXTWGEPZSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2CC3(CCC3)C2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575873018 949567434 /nfs/dbraw/zinc/56/74/34/949567434.db2.gz MRODXZLQYJEXMW-JSGCOSHPSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2CC3(CCC3)C2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575873018 949567451 /nfs/dbraw/zinc/56/74/51/949567451.db2.gz MRODXZLQYJEXMW-JSGCOSHPSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CC2CC(F)(F)C2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575873505 949580050 /nfs/dbraw/zinc/58/00/50/949580050.db2.gz POPPLIXXOZWJKU-JQWIXIFHSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CC2CC(F)(F)C2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575873505 949580057 /nfs/dbraw/zinc/58/00/57/949580057.db2.gz POPPLIXXOZWJKU-JQWIXIFHSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1Cc2ccc(F)cc21)Nc1nccnc1-c1nnn[n-]1 ZINC001574712662 949583164 /nfs/dbraw/zinc/58/31/64/949583164.db2.gz SRYMNCDAJWOFMV-HZMBPMFUSA-N -1 1 382.403 1.395 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1Cc2ccc(F)cc21)Nc1nccnc1-c1nn[n-]n1 ZINC001574712662 949583179 /nfs/dbraw/zinc/58/31/79/949583179.db2.gz SRYMNCDAJWOFMV-HZMBPMFUSA-N -1 1 382.403 1.395 20 0 GDADMM C[C@H]1CCCC[C@@H]1OCC(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001576166517 949583221 /nfs/dbraw/zinc/58/32/21/949583221.db2.gz MSILHIAMLJZPGA-STQMWFEESA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H]1CCCC[C@@H]1OCC(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001576166517 949583236 /nfs/dbraw/zinc/58/32/36/949583236.db2.gz MSILHIAMLJZPGA-STQMWFEESA-N -1 1 386.460 1.313 20 0 GDADMM CC1(C(=O)N2CCCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)CC(F)(F)C1 ZINC001575544510 949585881 /nfs/dbraw/zinc/58/58/81/949585881.db2.gz DTFYLZNRILRIIJ-NSHDSACASA-N -1 1 392.414 1.307 20 0 GDADMM C[C@H]1CCCN(C(=O)C2CCOCC2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576166692 949588085 /nfs/dbraw/zinc/58/80/85/949588085.db2.gz NQDYFLZIUCJCLL-SWLSCSKDSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H]1CCCN(C(=O)C2CCOCC2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576166692 949588107 /nfs/dbraw/zinc/58/81/07/949588107.db2.gz NQDYFLZIUCJCLL-SWLSCSKDSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H](NC(=O)CCC1CCC1)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575270391 949588351 /nfs/dbraw/zinc/58/83/51/949588351.db2.gz CNBHUSYSIGNTJW-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](NC(=O)CCC1CCC1)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575270391 949588367 /nfs/dbraw/zinc/58/83/67/949588367.db2.gz CNBHUSYSIGNTJW-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CCc2ccccc2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575873765 949590032 /nfs/dbraw/zinc/59/00/32/949590032.db2.gz CLDCPZQEBRXURP-GDBMZVCRSA-N -1 1 392.467 1.763 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CCc2ccccc2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575873765 949590048 /nfs/dbraw/zinc/59/00/48/949590048.db2.gz CLDCPZQEBRXURP-GDBMZVCRSA-N -1 1 392.467 1.763 20 0 GDADMM C[C@H]1CCCN(C(=O)CC(C)(C)O)[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576166713 949590319 /nfs/dbraw/zinc/59/03/19/949590319.db2.gz NYSCZWMSOHYYLD-JSGCOSHPSA-N -1 1 388.476 1.247 20 0 GDADMM C[C@H]1CCCN(C(=O)CC(C)(C)O)[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576166713 949590330 /nfs/dbraw/zinc/59/03/30/949590330.db2.gz NYSCZWMSOHYYLD-JSGCOSHPSA-N -1 1 388.476 1.247 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1CCc2ccccc2C1)Nc1nccnc1-c1nnn[n-]1 ZINC001574712755 949591744 /nfs/dbraw/zinc/59/17/44/949591744.db2.gz UFIXRGNQXSDHKC-CJNGLKHVSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1CCc2ccccc2C1)Nc1nccnc1-c1nn[n-]n1 ZINC001574712755 949591757 /nfs/dbraw/zinc/59/17/57/949591757.db2.gz UFIXRGNQXSDHKC-CJNGLKHVSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@H]1CCCC[C@H]1CC(=O)NCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001576167294 949610737 /nfs/dbraw/zinc/61/07/37/949610737.db2.gz CFGGQZKXVXJDEY-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCCC[C@H]1CC(=O)NCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001576167294 949610751 /nfs/dbraw/zinc/61/07/51/949610751.db2.gz CFGGQZKXVXJDEY-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2nccnc2-c2nnn[n-]2)CCCC1 ZINC001575547013 949622410 /nfs/dbraw/zinc/62/24/10/949622410.db2.gz VLXYMMNRSDSVEO-KGLIPLIRSA-N -1 1 382.472 1.807 20 0 GDADMM CC1(C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2nccnc2-c2nn[n-]n2)CCCC1 ZINC001575547013 949622422 /nfs/dbraw/zinc/62/24/22/949622422.db2.gz VLXYMMNRSDSVEO-KGLIPLIRSA-N -1 1 382.472 1.807 20 0 GDADMM C[C@@H]1CCCC[C@@H]1CC(=O)NCCN(c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001576168221 949631619 /nfs/dbraw/zinc/63/16/19/949631619.db2.gz FHUYSQMHMSLLLL-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCCC[C@@H]1CC(=O)NCCN(c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001576168221 949631639 /nfs/dbraw/zinc/63/16/39/949631639.db2.gz FHUYSQMHMSLLLL-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CC2CC(F)(F)C2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575876239 949642942 /nfs/dbraw/zinc/64/29/42/949642942.db2.gz XKRCKDMJURPVQR-ZYHUDNBSSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CC2CC(F)(F)C2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575876239 949642959 /nfs/dbraw/zinc/64/29/59/949642959.db2.gz XKRCKDMJURPVQR-ZYHUDNBSSA-N -1 1 392.414 1.566 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cncc(F)c1 ZINC001573814707 949644974 /nfs/dbraw/zinc/64/49/74/949644974.db2.gz FFESPITWMUQEPN-ZDUSSCGKSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cncc(F)c1 ZINC001573814707 949644984 /nfs/dbraw/zinc/64/49/84/949644984.db2.gz FFESPITWMUQEPN-ZDUSSCGKSA-N -1 1 385.407 1.447 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2CCOCC2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576168826 949648501 /nfs/dbraw/zinc/64/85/01/949648501.db2.gz WEBNLPPNBPZNMB-DOMZBBRYSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2CCOCC2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576168826 949648511 /nfs/dbraw/zinc/64/85/11/949648511.db2.gz WEBNLPPNBPZNMB-DOMZBBRYSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](NC(=O)CCCc1cccnc1)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575272629 949651382 /nfs/dbraw/zinc/65/13/82/949651382.db2.gz RJUCDRHSHWKBSS-CHWSQXEVSA-N -1 1 381.444 1.380 20 0 GDADMM C[C@@H](NC(=O)CCCc1cccnc1)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575272629 949651395 /nfs/dbraw/zinc/65/13/95/949651395.db2.gz RJUCDRHSHWKBSS-CHWSQXEVSA-N -1 1 381.444 1.380 20 0 GDADMM C[C@@H]1CCCC[C@@H]1C(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001576168918 949652645 /nfs/dbraw/zinc/65/26/45/949652645.db2.gz HBZVYKSYFMYRTB-KBXIAJHMSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H]1CCCC[C@@H]1C(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001576168918 949652660 /nfs/dbraw/zinc/65/26/60/949652660.db2.gz HBZVYKSYFMYRTB-KBXIAJHMSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H](CC(=O)N(CCO)CCNc1nccnc1-c1nnn[n-]1)CC(C)(C)C ZINC001574477455 949657524 /nfs/dbraw/zinc/65/75/24/949657524.db2.gz OFLVYMJLRFJPHT-ZDUSSCGKSA-N -1 1 390.492 1.352 20 0 GDADMM C[C@@H](CC(=O)N(CCO)CCNc1nccnc1-c1nn[n-]n1)CC(C)(C)C ZINC001574477455 949657542 /nfs/dbraw/zinc/65/75/42/949657542.db2.gz OFLVYMJLRFJPHT-ZDUSSCGKSA-N -1 1 390.492 1.352 20 0 GDADMM CC(C)CC(C)(C)C(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1 ZINC001574131441 949661724 /nfs/dbraw/zinc/66/17/24/949661724.db2.gz FXAKGHMZDMIQTR-CYBMUJFWSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)CC(C)(C)C(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1 ZINC001574131441 949661740 /nfs/dbraw/zinc/66/17/40/949661740.db2.gz FXAKGHMZDMIQTR-CYBMUJFWSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@H](CN(C)C(=O)CC[C@@H]1CC(C)(C)CO1)Nc1nccnc1-c1nnn[n-]1 ZINC001574716068 949677221 /nfs/dbraw/zinc/67/72/21/949677221.db2.gz ICWWLWUGVCQRPG-CHWSQXEVSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CN(C)C(=O)CC[C@@H]1CC(C)(C)CO1)Nc1nccnc1-c1nn[n-]n1 ZINC001574716068 949677240 /nfs/dbraw/zinc/67/72/40/949677240.db2.gz ICWWLWUGVCQRPG-CHWSQXEVSA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1ccc(=O)[nH]c1 ZINC001573816209 949677365 /nfs/dbraw/zinc/67/73/65/949677365.db2.gz QAWQSLKQLCLDAZ-LBPRGKRZSA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ccc(=O)[nH]c1 ZINC001573816209 949677377 /nfs/dbraw/zinc/67/73/77/949677377.db2.gz QAWQSLKQLCLDAZ-LBPRGKRZSA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)CC(C)(C)C(=O)NC[C@H]1COCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001574132267 949687930 /nfs/dbraw/zinc/68/79/30/949687930.db2.gz UOVYUTDNXXTZMD-ZDUSSCGKSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)CC(C)(C)C(=O)NC[C@H]1COCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001574132267 949687947 /nfs/dbraw/zinc/68/79/47/949687947.db2.gz UOVYUTDNXXTZMD-ZDUSSCGKSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@@H]1CCCN(C(=O)Cc2ccoc2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576169947 949699564 /nfs/dbraw/zinc/69/95/64/949699564.db2.gz IIHDAHWWOIZJHX-DOMZBBRYSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@@H]1CCCN(C(=O)Cc2ccoc2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576169947 949699583 /nfs/dbraw/zinc/69/95/83/949699583.db2.gz IIHDAHWWOIZJHX-DOMZBBRYSA-N -1 1 382.428 1.531 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)Cc1ccccc1 ZINC001573818051 949713497 /nfs/dbraw/zinc/71/34/97/949713497.db2.gz FOFXCWSCOUFUEU-HNNXBMFYSA-N -1 1 380.456 1.842 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)Cc1ccccc1 ZINC001573818051 949713515 /nfs/dbraw/zinc/71/35/15/949713515.db2.gz FOFXCWSCOUFUEU-HNNXBMFYSA-N -1 1 380.456 1.842 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574959771 949714779 /nfs/dbraw/zinc/71/47/79/949714779.db2.gz SXUPKVPMNUMJNO-DDTOSNHZSA-N -1 1 382.403 1.516 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574959771 949714792 /nfs/dbraw/zinc/71/47/92/949714792.db2.gz SXUPKVPMNUMJNO-DDTOSNHZSA-N -1 1 382.403 1.516 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C1CCCCC1 ZINC001574479301 949735084 /nfs/dbraw/zinc/73/50/84/949735084.db2.gz DMXPCGFMHGOMGQ-UKRRQHHQSA-N -1 1 384.488 1.698 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)Cc1cccs1 ZINC001573818681 949739976 /nfs/dbraw/zinc/73/99/76/949739976.db2.gz OBRRRPHBBRJNSS-CYBMUJFWSA-N -1 1 386.485 1.904 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)Cc1cccs1 ZINC001573818681 949739998 /nfs/dbraw/zinc/73/99/98/949739998.db2.gz OBRRRPHBBRJNSS-CYBMUJFWSA-N -1 1 386.485 1.904 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@@H]1CCOC1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574718049 949756054 /nfs/dbraw/zinc/75/60/54/949756054.db2.gz RMTIICJGRVPJAE-BDAKNGLRSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@@H]1CCOC1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574718049 949756070 /nfs/dbraw/zinc/75/60/70/949756070.db2.gz RMTIICJGRVPJAE-BDAKNGLRSA-N -1 1 385.881 1.662 20 0 GDADMM CC1(C(=O)N2C[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@@]3(C)C2)CCCC1 ZINC001575559661 949762178 /nfs/dbraw/zinc/76/21/78/949762178.db2.gz XPPOGOGVLJMHQO-YJYMSZOUSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C(=O)N2C[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@@]3(C)C2)CCCC1 ZINC001575559661 949762192 /nfs/dbraw/zinc/76/21/92/949762192.db2.gz XPPOGOGVLJMHQO-YJYMSZOUSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C(=O)N[C@@H]2CC23CCN(c2ccnc(-c4nn[n-]n4)n2)CC3)CC=CC1 ZINC001575559989 949771944 /nfs/dbraw/zinc/77/19/44/949771944.db2.gz HQLLOGVRBQZCJD-CYBMUJFWSA-N -1 1 380.456 1.488 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)Cc1ccccc1 ZINC001573821921 949780928 /nfs/dbraw/zinc/78/09/28/949780928.db2.gz FKPNCOZECDJOCF-AWEZNQCLSA-N -1 1 380.456 1.842 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)Cc1ccccc1 ZINC001573821921 949780943 /nfs/dbraw/zinc/78/09/43/949780943.db2.gz FKPNCOZECDJOCF-AWEZNQCLSA-N -1 1 380.456 1.842 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ncccc1O ZINC001573822124 949782618 /nfs/dbraw/zinc/78/26/18/949782618.db2.gz FSKDJIPOCACZJW-GFCCVEGCSA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[nH]n2)n1)NC(=O)c1ncccc1[O-] ZINC001573822124 949782633 /nfs/dbraw/zinc/78/26/33/949782633.db2.gz FSKDJIPOCACZJW-GFCCVEGCSA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C1CC(F)(F)C1 ZINC001573822546 949790793 /nfs/dbraw/zinc/79/07/93/949790793.db2.gz JLBZNZGFAKSXRJ-SNVBAGLBSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C1CC(F)(F)C1 ZINC001573822546 949790809 /nfs/dbraw/zinc/79/08/09/949790809.db2.gz JLBZNZGFAKSXRJ-SNVBAGLBSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@H]1CCCC[C@@H]1C(=O)N(C)CCOCCNc1nccnc1-c1nnn[n-]1 ZINC001576172430 949808638 /nfs/dbraw/zinc/80/86/38/949808638.db2.gz UVCSBZNKHWVFDC-KBPBESRZSA-N -1 1 388.476 1.370 20 0 GDADMM C[C@H]1CCCC[C@@H]1C(=O)N(C)CCOCCNc1nccnc1-c1nn[n-]n1 ZINC001576172430 949808657 /nfs/dbraw/zinc/80/86/57/949808657.db2.gz UVCSBZNKHWVFDC-KBPBESRZSA-N -1 1 388.476 1.370 20 0 GDADMM C[C@H]1CC[C@H](C(=O)N[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)[C@H]2C)CC1 ZINC001575883259 949808658 /nfs/dbraw/zinc/80/86/58/949808658.db2.gz QFYPKWPVTYGDEC-AJNGGQMLSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H]1CC[C@H](C(=O)N[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)[C@H]2C)CC1 ZINC001575883259 949808678 /nfs/dbraw/zinc/80/86/78/949808678.db2.gz QFYPKWPVTYGDEC-AJNGGQMLSA-N -1 1 384.488 1.957 20 0 GDADMM CC1(C(=O)N[C@H]2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CC(F)(F)C1 ZINC001575561607 949809164 /nfs/dbraw/zinc/80/91/64/949809164.db2.gz BMVTWIJMOLVHHL-MNOVXSKESA-N -1 1 392.414 1.931 20 0 GDADMM CC1(C(=O)N[C@H]2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CC(F)(F)C1 ZINC001575561607 949809186 /nfs/dbraw/zinc/80/91/86/949809186.db2.gz BMVTWIJMOLVHHL-MNOVXSKESA-N -1 1 392.414 1.931 20 0 GDADMM C[C@H](CNC(=O)c1c(F)cccc1Cl)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574965990 949826638 /nfs/dbraw/zinc/82/66/38/949826638.db2.gz RCDFRYULCCULET-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM CC1(C(=O)N[C@H]2CCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)CC(F)(F)C1 ZINC001575562787 949832630 /nfs/dbraw/zinc/83/26/30/949832630.db2.gz IRDCYZBSUAGHBW-MNOVXSKESA-N -1 1 392.414 1.789 20 0 GDADMM CC1(C(=O)N[C@H]2CCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)CC(F)(F)C1 ZINC001575562787 949832645 /nfs/dbraw/zinc/83/26/45/949832645.db2.gz IRDCYZBSUAGHBW-MNOVXSKESA-N -1 1 392.414 1.789 20 0 GDADMM C[C@H](NC(=O)COc1ccccc1F)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575282678 949845483 /nfs/dbraw/zinc/84/54/83/949845483.db2.gz LPIFQYZHVHQCKY-QWRGUYRKSA-N -1 1 386.391 1.180 20 0 GDADMM C[C@H](NC(=O)COc1ccccc1F)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575282678 949845501 /nfs/dbraw/zinc/84/55/01/949845501.db2.gz LPIFQYZHVHQCKY-QWRGUYRKSA-N -1 1 386.391 1.180 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1 ZINC001574141299 949849513 /nfs/dbraw/zinc/84/95/13/949849513.db2.gz SPNPGQBBHZFATK-XRGAULLZSA-N -1 1 384.488 1.955 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1 ZINC001574141299 949849533 /nfs/dbraw/zinc/84/95/33/949849533.db2.gz SPNPGQBBHZFATK-XRGAULLZSA-N -1 1 384.488 1.955 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001574484031 949853081 /nfs/dbraw/zinc/85/30/81/949853081.db2.gz CRSSORYFKNJZTF-VHSXEESVSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001574484031 949853108 /nfs/dbraw/zinc/85/31/08/949853108.db2.gz CRSSORYFKNJZTF-VHSXEESVSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2nccs2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576177699 949855424 /nfs/dbraw/zinc/85/54/24/949855424.db2.gz AOFHEAWLKKVYTP-ZYHUDNBSSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2nccs2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576177699 949855442 /nfs/dbraw/zinc/85/54/42/949855442.db2.gz AOFHEAWLKKVYTP-ZYHUDNBSSA-N -1 1 385.457 1.466 20 0 GDADMM CC(C)(C)C1CC(C(=O)N[C@@H]2[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]32)C1 ZINC001573825287 949873859 /nfs/dbraw/zinc/87/38/59/949873859.db2.gz QEWQOVVVIWOKSI-TWASESMYSA-N -1 1 382.472 1.280 20 0 GDADMM CC(C)(C)C1CC(C(=O)N[C@@H]2[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]32)C1 ZINC001573825287 949873878 /nfs/dbraw/zinc/87/38/78/949873878.db2.gz QEWQOVVVIWOKSI-TWASESMYSA-N -1 1 382.472 1.280 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](C)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001574484299 949877388 /nfs/dbraw/zinc/87/73/88/949877388.db2.gz YNOSMZWYAXVPMG-IPYPFGDCSA-N -1 1 384.488 1.554 20 0 GDADMM CC1(C(=O)N[C@@H]2CC[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)CC(F)(F)C1 ZINC001575565746 949889998 /nfs/dbraw/zinc/88/99/98/949889998.db2.gz XZAUULKWJIOAIM-GHMZBOCLSA-N -1 1 392.414 1.789 20 0 GDADMM CC1(C(=O)N[C@@H]2CC[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)CC(F)(F)C1 ZINC001575565746 949890016 /nfs/dbraw/zinc/89/00/16/949890016.db2.gz XZAUULKWJIOAIM-GHMZBOCLSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@H]1CC[C@H](C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)[C@@H]2C)CC1 ZINC001575887412 949902809 /nfs/dbraw/zinc/90/28/09/949902809.db2.gz ZDLUZTFRDLKJND-KBUPBQIOSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H]1CC[C@H](C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)[C@@H]2C)CC1 ZINC001575887412 949902823 /nfs/dbraw/zinc/90/28/23/949902823.db2.gz ZDLUZTFRDLKJND-KBUPBQIOSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H]1CC[C@H](C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)[C@@H]2C)CC1 ZINC001575887417 949903467 /nfs/dbraw/zinc/90/34/67/949903467.db2.gz ZDLUZTFRDLKJND-TUVASFSCSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H]1CC[C@H](C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)[C@@H]2C)CC1 ZINC001575887417 949903480 /nfs/dbraw/zinc/90/34/80/949903480.db2.gz ZDLUZTFRDLKJND-TUVASFSCSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1)n1cccc1 ZINC001574484893 949908501 /nfs/dbraw/zinc/90/85/01/949908501.db2.gz RAMBTOYFQCNGKY-UONOGXRCSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1)n1cccc1 ZINC001574484893 949908522 /nfs/dbraw/zinc/90/85/22/949908522.db2.gz RAMBTOYFQCNGKY-UONOGXRCSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@@H](CC(=O)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1)c1ccco1 ZINC001574484964 949914060 /nfs/dbraw/zinc/91/40/60/949914060.db2.gz SMRMHDWUNOGYTA-ZDUSSCGKSA-N -1 1 382.428 1.482 20 0 GDADMM C[C@@H](CC(=O)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1)c1ccco1 ZINC001574484964 949914078 /nfs/dbraw/zinc/91/40/78/949914078.db2.gz SMRMHDWUNOGYTA-ZDUSSCGKSA-N -1 1 382.428 1.482 20 0 GDADMM C[C@H](NC(=O)COC(C)(C)C)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575284795 949917307 /nfs/dbraw/zinc/91/73/07/949917307.db2.gz WNEXSMHXUSFUFZ-QWHCGFSZSA-N -1 1 388.476 1.193 20 0 GDADMM C[C@H](NC(=O)COC(C)(C)C)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575284795 949917322 /nfs/dbraw/zinc/91/73/22/949917322.db2.gz WNEXSMHXUSFUFZ-QWHCGFSZSA-N -1 1 388.476 1.193 20 0 GDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](C)NC(=O)COc1ccccc1F ZINC001575285127 949930333 /nfs/dbraw/zinc/93/03/33/949930333.db2.gz ZAUCCWCKUNOFNP-MNOVXSKESA-N -1 1 386.391 1.180 20 0 GDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](C)NC(=O)COc1ccccc1F ZINC001575285127 949930355 /nfs/dbraw/zinc/93/03/55/949930355.db2.gz ZAUCCWCKUNOFNP-MNOVXSKESA-N -1 1 386.391 1.180 20 0 GDADMM C[C@@H](CN(C)C(=O)CN(C)c1ccccc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574726262 949930293 /nfs/dbraw/zinc/93/02/93/949930293.db2.gz YGPQIFXSARBUGA-ZDUSSCGKSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](CN(C)C(=O)CN(C)c1ccccc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574726262 949930315 /nfs/dbraw/zinc/93/03/15/949930315.db2.gz YGPQIFXSARBUGA-ZDUSSCGKSA-N -1 1 381.444 1.052 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574146281 949937531 /nfs/dbraw/zinc/93/75/31/949937531.db2.gz XIPCMCSKVMROKA-KBPBESRZSA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574146281 949937555 /nfs/dbraw/zinc/93/75/55/949937555.db2.gz XIPCMCSKVMROKA-KBPBESRZSA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)(C)CC(=O)N1CC[C@]2(C1)CCCN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001573829688 949959876 /nfs/dbraw/zinc/95/98/76/949959876.db2.gz BJMXGQWAPGGHJP-LJQANCHMSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)(C)CC(=O)N1CC[C@]2(C1)CCCN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001573829688 949959897 /nfs/dbraw/zinc/95/98/97/949959897.db2.gz BJMXGQWAPGGHJP-LJQANCHMSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@H]1CCN(C(=O)C2CC(C)(C)C2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576180871 949977408 /nfs/dbraw/zinc/97/74/08/949977408.db2.gz FXKGGRDYIOVZTD-GXTWGEPZSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H]1CCN(C(=O)C2CC(C)(C)C2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576180871 949977428 /nfs/dbraw/zinc/97/74/28/949977428.db2.gz FXKGGRDYIOVZTD-GXTWGEPZSA-N -1 1 384.488 1.989 20 0 GDADMM CC1(C)CN(c2nccnc2-c2nnn[n-]2)C[C@@H]1NC(=O)[C@]1(C)CC=CCC1 ZINC001575572639 949980268 /nfs/dbraw/zinc/98/02/68/949980268.db2.gz HWKZTQFHQCCSPG-ORAYPTAESA-N -1 1 382.472 1.734 20 0 GDADMM CC1(C)CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1NC(=O)[C@]1(C)CC=CCC1 ZINC001575572639 949980279 /nfs/dbraw/zinc/98/02/79/949980279.db2.gz HWKZTQFHQCCSPG-ORAYPTAESA-N -1 1 382.472 1.734 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2ccc(F)cc2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575891079 949984395 /nfs/dbraw/zinc/98/43/95/949984395.db2.gz DSTXTYPXBQTEBR-BXUZGUMPSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2ccc(F)cc2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575891079 949984411 /nfs/dbraw/zinc/98/44/11/949984411.db2.gz DSTXTYPXBQTEBR-BXUZGUMPSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@H](CC(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)n1cccc1 ZINC001574490381 949991227 /nfs/dbraw/zinc/99/12/27/949991227.db2.gz QNBHGDYGBPDZBN-OCCSQVGLSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](CC(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)n1cccc1 ZINC001574490381 949991248 /nfs/dbraw/zinc/99/12/48/949991248.db2.gz QNBHGDYGBPDZBN-OCCSQVGLSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](CC(=O)N[C@@]1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccco1 ZINC001574490630 950008826 /nfs/dbraw/zinc/00/88/26/950008826.db2.gz WIHALHAGRYMERV-XIKOKIGWSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](CC(=O)N[C@@]1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccco1 ZINC001574490630 950008848 /nfs/dbraw/zinc/00/88/48/950008848.db2.gz WIHALHAGRYMERV-XIKOKIGWSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H]1CCN(C(=O)C2C=CC=CC=C2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576181635 950012603 /nfs/dbraw/zinc/01/26/03/950012603.db2.gz IOMFVSJODWLMKJ-GOEBONIOSA-N -1 1 392.467 1.852 20 0 GDADMM C[C@H]1CCN(C(=O)C2C=CC=CC=C2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576181635 950012623 /nfs/dbraw/zinc/01/26/23/950012623.db2.gz IOMFVSJODWLMKJ-GOEBONIOSA-N -1 1 392.467 1.852 20 0 GDADMM C[C@@H](CC(=O)N[C@]1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001574490777 950019959 /nfs/dbraw/zinc/01/99/59/950019959.db2.gz YUAQQBZBFPLELM-SCLBCKFNSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](CC(=O)N[C@]1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001574490777 950019974 /nfs/dbraw/zinc/01/99/74/950019974.db2.gz YUAQQBZBFPLELM-SCLBCKFNSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccccc1 ZINC001574491215 950027461 /nfs/dbraw/zinc/02/74/61/950027461.db2.gz BEFUEILJMAUQAE-DZGCQCFKSA-N -1 1 378.440 1.545 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccccc1 ZINC001574491215 950027476 /nfs/dbraw/zinc/02/74/76/950027476.db2.gz BEFUEILJMAUQAE-DZGCQCFKSA-N -1 1 378.440 1.545 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2ccc(F)s2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575892069 950047762 /nfs/dbraw/zinc/04/77/62/950047762.db2.gz REUPOLBNSVQZQY-NXEZZACHSA-N -1 1 388.432 1.645 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2ccc(F)s2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575892069 950047788 /nfs/dbraw/zinc/04/77/88/950047788.db2.gz REUPOLBNSVQZQY-NXEZZACHSA-N -1 1 388.432 1.645 20 0 GDADMM C[C@H](CC(=O)N[C@]12CCC[C@@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2)C1CC1 ZINC001574491957 950051585 /nfs/dbraw/zinc/05/15/85/950051585.db2.gz HKXHPILIGIYDAZ-YFROIQMUSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H](CC(=O)N[C@]12CCC[C@@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2)C1CC1 ZINC001574491957 950051606 /nfs/dbraw/zinc/05/16/06/950051606.db2.gz HKXHPILIGIYDAZ-YFROIQMUSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC001576182402 950052038 /nfs/dbraw/zinc/05/20/38/950052038.db2.gz ZMSPMFBXMGHOJO-OLZOCXBDSA-N -1 1 384.444 1.840 20 0 GDADMM C[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC001576182402 950052053 /nfs/dbraw/zinc/05/20/53/950052053.db2.gz ZMSPMFBXMGHOJO-OLZOCXBDSA-N -1 1 384.444 1.840 20 0 GDADMM C[C@H](CC(=O)NC1(CNc2nccnc2-c2nnn[n-]2)CCOCC1)C1CC1 ZINC001574492114 950062161 /nfs/dbraw/zinc/06/21/61/950062161.db2.gz JKSMTDRISJQTQO-GFCCVEGCSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@H](CC(=O)NC1(CNc2nccnc2-c2nn[n-]n2)CCOCC1)C1CC1 ZINC001574492114 950062178 /nfs/dbraw/zinc/06/21/78/950062178.db2.gz JKSMTDRISJQTQO-GFCCVEGCSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001574492227 950073017 /nfs/dbraw/zinc/07/30/17/950073017.db2.gz LFTVNARJCSKMSX-PRTUASRFSA-N -1 1 382.472 1.709 20 0 GDADMM C[C@@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001574492227 950073038 /nfs/dbraw/zinc/07/30/38/950073038.db2.gz LFTVNARJCSKMSX-PRTUASRFSA-N -1 1 382.472 1.709 20 0 GDADMM C[C@H](CC(=O)N[C@@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001574492529 950088393 /nfs/dbraw/zinc/08/83/93/950088393.db2.gz NTXSSTOIYOMVHL-XIKOKIGWSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](CC(=O)N[C@@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001574492529 950088412 /nfs/dbraw/zinc/08/84/12/950088412.db2.gz NTXSSTOIYOMVHL-XIKOKIGWSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001574493297 950122242 /nfs/dbraw/zinc/12/22/42/950122242.db2.gz RZQCQWIQLXTQPP-UONOGXRCSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001574493297 950122267 /nfs/dbraw/zinc/12/22/67/950122267.db2.gz RZQCQWIQLXTQPP-UONOGXRCSA-N -1 1 381.444 1.195 20 0 GDADMM CC(C)(C)CC(C)(C)C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001573839346 950131686 /nfs/dbraw/zinc/13/16/86/950131686.db2.gz RPGBNRHDXUYSOH-UHFFFAOYSA-N -1 1 390.492 1.352 20 0 GDADMM CC(C)(C)CC(C)(C)C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001573839346 950131703 /nfs/dbraw/zinc/13/17/03/950131703.db2.gz RPGBNRHDXUYSOH-UHFFFAOYSA-N -1 1 390.492 1.352 20 0 GDADMM C[C@H](CC(=O)N[C@@]1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574493507 950133848 /nfs/dbraw/zinc/13/38/48/950133848.db2.gz SXBIRLVFINBKJL-ACJLOTCBSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H]1CCN(C(=O)Cc2ccco2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576184655 950138107 /nfs/dbraw/zinc/13/81/07/950138107.db2.gz WTRQRHNJBRAVLT-OLZOCXBDSA-N -1 1 382.428 1.389 20 0 GDADMM C[C@@H]1CCN(C(=O)Cc2ccco2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576184655 950138120 /nfs/dbraw/zinc/13/81/20/950138120.db2.gz WTRQRHNJBRAVLT-OLZOCXBDSA-N -1 1 382.428 1.389 20 0 GDADMM C[C@H]1CCN(C(=O)CCC2CCC2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576184944 950145658 /nfs/dbraw/zinc/14/56/58/950145658.db2.gz YVYBOWVYZWFCPM-DZGCQCFKSA-N -1 1 384.488 1.555 20 0 GDADMM C[C@@H](CC(=O)NC1CC2(C1)CC(Nc1cncc(-c3nnn[n-]3)n1)C2)C1CC1 ZINC001574494013 950151435 /nfs/dbraw/zinc/15/14/35/950151435.db2.gz WPZJYHVZRCIJKY-AIMVFPRCSA-N -1 1 382.472 1.932 20 0 GDADMM C[C@@H](CC(=O)NC1CC2(C1)CC(Nc1cncc(-c3nn[n-]n3)n1)C2)C1CC1 ZINC001574494013 950151460 /nfs/dbraw/zinc/15/14/60/950151460.db2.gz WPZJYHVZRCIJKY-AIMVFPRCSA-N -1 1 382.472 1.932 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001574494167 950152023 /nfs/dbraw/zinc/15/20/23/950152023.db2.gz XOUUDEVOWAGHSW-ZIAGYGMSSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574494167 950152040 /nfs/dbraw/zinc/15/20/40/950152040.db2.gz XOUUDEVOWAGHSW-ZIAGYGMSSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2)C1CC1 ZINC001574494187 950154398 /nfs/dbraw/zinc/15/43/98/950154398.db2.gz XTCQXZRBKOADKH-WFASDCNBSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2)C1CC1 ZINC001574494187 950154408 /nfs/dbraw/zinc/15/44/08/950154408.db2.gz XTCQXZRBKOADKH-WFASDCNBSA-N -1 1 382.472 1.568 20 0 GDADMM CC(C)[C@H](CNC(=O)C[C@@H](C)c1ccco1)Nc1nccnc1-c1nnn[n-]1 ZINC001574494754 950182566 /nfs/dbraw/zinc/18/25/66/950182566.db2.gz NSMWXFUNEQIUFU-OLZOCXBDSA-N -1 1 384.444 1.996 20 0 GDADMM CC(C)[C@H](CNC(=O)C[C@@H](C)c1ccco1)Nc1nccnc1-c1nn[n-]n1 ZINC001574494754 950182577 /nfs/dbraw/zinc/18/25/77/950182577.db2.gz NSMWXFUNEQIUFU-OLZOCXBDSA-N -1 1 384.444 1.996 20 0 GDADMM CC1(C(=O)NC[C@H]2CCC3(CN(Cc4ccc(-c5nn[n-]n5)s4)C3)O2)CC1 ZINC001575585055 950185939 /nfs/dbraw/zinc/18/59/39/950185939.db2.gz WJMVRCQFZKNFCL-GFCCVEGCSA-N -1 1 388.497 1.578 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2occc2Cl)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575900698 950207827 /nfs/dbraw/zinc/20/78/27/950207827.db2.gz HRMNUTQCDFZQNB-GXSJLCMTSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2occc2Cl)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575900698 950207835 /nfs/dbraw/zinc/20/78/35/950207835.db2.gz HRMNUTQCDFZQNB-GXSJLCMTSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2sccc2F)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575900931 950211343 /nfs/dbraw/zinc/21/13/43/950211343.db2.gz JSSKIJDJNZFSQA-KOLCDFICSA-N -1 1 388.432 1.645 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccns2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576191982 950219996 /nfs/dbraw/zinc/21/99/96/950219996.db2.gz JHHMDSHKZWIXBM-GHMZBOCLSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccns2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576191982 950220016 /nfs/dbraw/zinc/22/00/16/950220016.db2.gz JHHMDSHKZWIXBM-GHMZBOCLSA-N -1 1 385.457 1.324 20 0 GDADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCCC12CC2 ZINC001574156109 950222435 /nfs/dbraw/zinc/22/24/35/950222435.db2.gz WXLYHQUKULXRAN-KGLIPLIRSA-N -1 1 384.488 1.602 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1csc(=O)[nH]1 ZINC001574156085 950224222 /nfs/dbraw/zinc/22/42/22/950224222.db2.gz WHDZKNPJPHTGLI-VIFPVBQESA-N -1 1 389.445 1.075 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1)n1cccc1 ZINC001574497078 950227984 /nfs/dbraw/zinc/22/79/84/950227984.db2.gz YTFVXUNHPYHQQX-TZMCWYRMSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1)n1cccc1 ZINC001574497078 950228004 /nfs/dbraw/zinc/22/80/04/950228004.db2.gz YTFVXUNHPYHQQX-TZMCWYRMSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2ncccc2[O-])CCCN1c1ccc(-c2nn[nH]n2)cn1 ZINC001575902266 950255275 /nfs/dbraw/zinc/25/52/75/950255275.db2.gz UCMXSILZUVUNLF-DGCLKSJQSA-N -1 1 380.412 1.150 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCC1)n1cccc1 ZINC001574498277 950271349 /nfs/dbraw/zinc/27/13/49/950271349.db2.gz LUJWNFWNQDPVIY-ZDUSSCGKSA-N -1 1 381.444 1.560 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCC1)n1cccc1 ZINC001574498277 950271374 /nfs/dbraw/zinc/27/13/74/950271374.db2.gz LUJWNFWNQDPVIY-ZDUSSCGKSA-N -1 1 381.444 1.560 20 0 GDADMM CC1(C(=O)NCC[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CCCCC1 ZINC001575592076 950276172 /nfs/dbraw/zinc/27/61/72/950276172.db2.gz BXRDYCPKEUVXFM-AWEZNQCLSA-N -1 1 384.488 1.960 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001573852110 950300178 /nfs/dbraw/zinc/30/01/78/950300178.db2.gz DHIRTNWFNILLDC-GFCCVEGCSA-N -1 1 388.432 1.783 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001573852110 950300197 /nfs/dbraw/zinc/30/01/97/950300197.db2.gz DHIRTNWFNILLDC-GFCCVEGCSA-N -1 1 388.432 1.783 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@H]([C@H](F)C(=O)Nc2n[nH]cc2-c2nnn[n-]2)C1 ZINC001573852376 950309556 /nfs/dbraw/zinc/30/95/56/950309556.db2.gz GFCOPKMNPLLYLZ-WPRPVWTQSA-N -1 1 380.384 1.123 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@H]([C@H](F)C(=O)Nc2n[nH]cc2-c2nn[n-]n2)C1 ZINC001573852376 950309575 /nfs/dbraw/zinc/30/95/75/950309575.db2.gz GFCOPKMNPLLYLZ-WPRPVWTQSA-N -1 1 380.384 1.123 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001574501314 950329020 /nfs/dbraw/zinc/32/90/20/950329020.db2.gz CXQVWIUPAFNQSC-OLZOCXBDSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001574501314 950329032 /nfs/dbraw/zinc/32/90/32/950329032.db2.gz CXQVWIUPAFNQSC-OLZOCXBDSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1)n1cccc1 ZINC001574501942 950347569 /nfs/dbraw/zinc/34/75/69/950347569.db2.gz HWKMFGJMIHIVAQ-KGLIPLIRSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1)n1cccc1 ZINC001574501942 950347589 /nfs/dbraw/zinc/34/75/89/950347589.db2.gz HWKMFGJMIHIVAQ-KGLIPLIRSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@]1(C(=O)NCCC2(CNc3cnc(-c4nnn[n-]4)cn3)CC2)CCCOC1 ZINC001575595173 950351471 /nfs/dbraw/zinc/35/14/71/950351471.db2.gz NHHAUMJEIGFUHO-KRWDZBQOSA-N -1 1 386.460 1.172 20 0 GDADMM C[C@]1(C(=O)NCCC2(CNc3cnc(-c4nn[n-]n4)cn3)CC2)CCCOC1 ZINC001575595173 950351491 /nfs/dbraw/zinc/35/14/91/950351491.db2.gz NHHAUMJEIGFUHO-KRWDZBQOSA-N -1 1 386.460 1.172 20 0 GDADMM C[C@@]1(C(=O)NCCC2(CNc3cnc(-c4nnn[n-]4)cn3)CC2)CCCOC1 ZINC001575595178 950352253 /nfs/dbraw/zinc/35/22/53/950352253.db2.gz NHHAUMJEIGFUHO-QGZVFWFLSA-N -1 1 386.460 1.172 20 0 GDADMM C[C@@]1(C(=O)NCCC2(CNc3cnc(-c4nn[n-]n4)cn3)CC2)CCCOC1 ZINC001575595178 950352273 /nfs/dbraw/zinc/35/22/73/950352273.db2.gz NHHAUMJEIGFUHO-QGZVFWFLSA-N -1 1 386.460 1.172 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CCCOCC1 ZINC001574161248 950355011 /nfs/dbraw/zinc/35/50/11/950355011.db2.gz SDRDPKXUZUNYPQ-KGLIPLIRSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCCOCC1 ZINC001574161248 950355040 /nfs/dbraw/zinc/35/50/40/950355040.db2.gz SDRDPKXUZUNYPQ-KGLIPLIRSA-N -1 1 388.476 1.416 20 0 GDADMM CC1(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3c2cncc(-c3nnn[n-]3)n2)CCC1 ZINC001575596297 950373184 /nfs/dbraw/zinc/37/31/84/950373184.db2.gz CPAMMTBGVZDBGK-BTTYYORXSA-N -1 1 382.472 1.711 20 0 GDADMM CC1(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3c2cncc(-c3nn[n-]n3)n2)CCC1 ZINC001575596297 950373203 /nfs/dbraw/zinc/37/32/03/950373203.db2.gz CPAMMTBGVZDBGK-BTTYYORXSA-N -1 1 382.472 1.711 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CCC1(F)F ZINC001574162461 950379407 /nfs/dbraw/zinc/37/94/07/950379407.db2.gz BAULPYLCUUJLMU-MNOVXSKESA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CCC1(F)F ZINC001574162461 950379422 /nfs/dbraw/zinc/37/94/22/950379422.db2.gz BAULPYLCUUJLMU-MNOVXSKESA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cc(Cl)c[nH]1 ZINC001574162536 950386732 /nfs/dbraw/zinc/38/67/32/950386732.db2.gz CQIQCZLSRZLYEV-LLVKDONJSA-N -1 1 389.851 1.895 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cc(Cl)c[nH]1 ZINC001574162536 950386754 /nfs/dbraw/zinc/38/67/54/950386754.db2.gz CQIQCZLSRZLYEV-LLVKDONJSA-N -1 1 389.851 1.895 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C1(F)CCCC1 ZINC001574162893 950411251 /nfs/dbraw/zinc/41/12/51/950411251.db2.gz LKNCRDPQJCGSSH-LBPRGKRZSA-N -1 1 376.440 1.882 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C1(F)CCCC1 ZINC001574162893 950411265 /nfs/dbraw/zinc/41/12/65/950411265.db2.gz LKNCRDPQJCGSSH-LBPRGKRZSA-N -1 1 376.440 1.882 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574503970 950423424 /nfs/dbraw/zinc/42/34/24/950423424.db2.gz ZBCYGGKSLBANNL-KGLIPLIRSA-N -1 1 381.444 1.052 20 0 GDADMM CC(C)(C)OC(=O)NC[C@@H](NC(=O)Nc1ccnc(-c2nnn[n-]2)c1)C1CC1 ZINC001573860381 950423708 /nfs/dbraw/zinc/42/37/08/950423708.db2.gz IHKOZOXYKKERIS-CYBMUJFWSA-N -1 1 388.432 1.687 20 0 GDADMM CC(C)(C)OC(=O)NC[C@@H](NC(=O)Nc1ccnc(-c2nn[n-]n2)c1)C1CC1 ZINC001573860381 950423718 /nfs/dbraw/zinc/42/37/18/950423718.db2.gz IHKOZOXYKKERIS-CYBMUJFWSA-N -1 1 388.432 1.687 20 0 GDADMM C[C@]1(C(=O)NC[C@H]2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CCCOC1 ZINC001575597883 950424094 /nfs/dbraw/zinc/42/40/94/950424094.db2.gz YSGAUBJDLINOSS-JCGVRSQUSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@]1(C(=O)NC[C@H]2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CCCOC1 ZINC001575597883 950424113 /nfs/dbraw/zinc/42/41/13/950424113.db2.gz YSGAUBJDLINOSS-JCGVRSQUSA-N -1 1 386.460 1.170 20 0 GDADMM CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(c1cc(-c3nnn[n-]3)ncn1)C2 ZINC001573860402 950428160 /nfs/dbraw/zinc/42/81/60/950428160.db2.gz JHGVTGCMMGDKGH-SGTLLEGYSA-N -1 1 386.460 1.788 20 0 GDADMM CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(c1cc(-c3nn[n-]n3)ncn1)C2 ZINC001573860402 950428171 /nfs/dbraw/zinc/42/81/71/950428171.db2.gz JHGVTGCMMGDKGH-SGTLLEGYSA-N -1 1 386.460 1.788 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1C[C@H](NC(=O)c2coc(-c3nnn[n-]3)c2)C1(C)C ZINC001573861112 950442279 /nfs/dbraw/zinc/44/22/79/950442279.db2.gz UGIVHRZNNBYEPM-NWDGAFQWSA-N -1 1 376.417 1.881 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1C[C@H](NC(=O)c2coc(-c3nn[n-]n3)c2)C1(C)C ZINC001573861112 950442290 /nfs/dbraw/zinc/44/22/90/950442290.db2.gz UGIVHRZNNBYEPM-NWDGAFQWSA-N -1 1 376.417 1.881 20 0 GDADMM CC(C)CC1(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CCCC1 ZINC001574165485 950444259 /nfs/dbraw/zinc/44/42/59/950444259.db2.gz DXKPOEGROIOHNV-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CC1(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CCCC1 ZINC001574165485 950444270 /nfs/dbraw/zinc/44/42/70/950444270.db2.gz DXKPOEGROIOHNV-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CCN(CC)CCN(C(=O)/C=C/c1ccc(C(=O)[O-])o1)[C@@H]1CCS(=O)(=O)C1 ZINC001589724908 950450522 /nfs/dbraw/zinc/45/05/22/950450522.db2.gz PHUMIGZTTDBHRP-IZPAUZPXSA-N -1 1 398.481 1.349 20 0 GDADMM CC(C)CC1(C(=O)NC[C@@H]2CCCN2c2cnc(-c3nnn[n-]3)cn2)CCC1 ZINC001574166132 950459864 /nfs/dbraw/zinc/45/98/64/950459864.db2.gz NLGHZFRBZGVDOG-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CC1(C(=O)NC[C@@H]2CCCN2c2cnc(-c3nn[n-]n3)cn2)CCC1 ZINC001574166132 950459887 /nfs/dbraw/zinc/45/98/87/950459887.db2.gz NLGHZFRBZGVDOG-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001574507492 950460508 /nfs/dbraw/zinc/46/05/08/950460508.db2.gz JRLQJRLWORKCAA-JHJVBQTASA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001574507492 950460520 /nfs/dbraw/zinc/46/05/20/950460520.db2.gz JRLQJRLWORKCAA-JHJVBQTASA-N -1 1 382.428 1.750 20 0 GDADMM CC1(C(=O)N[C@@H]2Cc3ccccc3[C@H]2Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575605443 950461817 /nfs/dbraw/zinc/46/18/17/950461817.db2.gz NQSKVSDOMLANDN-GDBMZVCRSA-N -1 1 376.424 1.651 20 0 GDADMM CC1(C(=O)N[C@@H]2Cc3ccccc3[C@H]2Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575605443 950461840 /nfs/dbraw/zinc/46/18/40/950461840.db2.gz NQSKVSDOMLANDN-GDBMZVCRSA-N -1 1 376.424 1.651 20 0 GDADMM C[C@@H](CC(=O)NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1)c1ccco1 ZINC001574507675 950465185 /nfs/dbraw/zinc/46/51/85/950465185.db2.gz HDUWYNAFBBXUIB-LBPRGKRZSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](CC(=O)NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1)c1ccco1 ZINC001574507675 950465204 /nfs/dbraw/zinc/46/52/04/950465204.db2.gz HDUWYNAFBBXUIB-LBPRGKRZSA-N -1 1 382.428 1.529 20 0 GDADMM CC(C)(C)OC(=O)N[C@H](C(=O)Nc1n[nH]cc1-c1nnn[n-]1)c1ccccc1 ZINC001573862508 950466581 /nfs/dbraw/zinc/46/65/81/950466581.db2.gz URKXHEMQOUPSPV-LBPRGKRZSA-N -1 1 384.400 1.794 20 0 GDADMM CC(C)(C)OC(=O)N[C@H](C(=O)Nc1n[nH]cc1-c1nn[n-]n1)c1ccccc1 ZINC001573862508 950466587 /nfs/dbraw/zinc/46/65/87/950466587.db2.gz URKXHEMQOUPSPV-LBPRGKRZSA-N -1 1 384.400 1.794 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc2c(s1)CCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574752619 950491839 /nfs/dbraw/zinc/49/18/39/950491839.db2.gz YMJMVEFNTXBZSI-SNVBAGLBSA-N -1 1 384.469 1.780 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc2c(s1)CCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574752619 950491849 /nfs/dbraw/zinc/49/18/49/950491849.db2.gz YMJMVEFNTXBZSI-SNVBAGLBSA-N -1 1 384.469 1.780 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCCn1cccc1 ZINC001575915743 950520880 /nfs/dbraw/zinc/52/08/80/950520880.db2.gz OBKPCDGOJALPEF-KGLIPLIRSA-N -1 1 381.444 1.340 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCCn1cccc1 ZINC001575915743 950520905 /nfs/dbraw/zinc/52/09/05/950520905.db2.gz OBKPCDGOJALPEF-KGLIPLIRSA-N -1 1 381.444 1.340 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2 ZINC001573869417 950565985 /nfs/dbraw/zinc/56/59/85/950565985.db2.gz PKDRSHYFDUYOKC-CHWSQXEVSA-N -1 1 386.460 1.311 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2 ZINC001573869417 950566003 /nfs/dbraw/zinc/56/60/03/950566003.db2.gz PKDRSHYFDUYOKC-CHWSQXEVSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cc(F)ccc1F ZINC001575917526 950579034 /nfs/dbraw/zinc/57/90/34/950579034.db2.gz YTCQFNIKMKBJHO-RNCFNFMXSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cc(F)ccc1F ZINC001575917526 950579053 /nfs/dbraw/zinc/57/90/53/950579053.db2.gz YTCQFNIKMKBJHO-RNCFNFMXSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001574511955 950579693 /nfs/dbraw/zinc/57/96/93/950579693.db2.gz XQSJEVLNZMTDBX-VHSXEESVSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001574511955 950579712 /nfs/dbraw/zinc/57/97/12/950579712.db2.gz XQSJEVLNZMTDBX-VHSXEESVSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C ZINC001573870852 950604797 /nfs/dbraw/zinc/60/47/97/950604797.db2.gz YFMWRRRXVLJCCN-CYBMUJFWSA-N -1 1 388.476 1.193 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C ZINC001573870852 950604812 /nfs/dbraw/zinc/60/48/12/950604812.db2.gz YFMWRRRXVLJCCN-CYBMUJFWSA-N -1 1 388.476 1.193 20 0 GDADMM CC1(C)C(C(=O)NC[C@@H]2CCCCN2c2nccnc2-c2nnn[n-]2)C1(C)C ZINC001575617640 950605515 /nfs/dbraw/zinc/60/55/15/950605515.db2.gz DSDZYTBDMDQCER-LBPRGKRZSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C(C(=O)NC[C@@H]2CCCCN2c2nccnc2-c2nn[n-]n2)C1(C)C ZINC001575617640 950605533 /nfs/dbraw/zinc/60/55/33/950605533.db2.gz DSDZYTBDMDQCER-LBPRGKRZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1cccs1 ZINC001575919362 950608157 /nfs/dbraw/zinc/60/81/57/950608157.db2.gz HAPNOXNDHBCURI-DGCLKSJQSA-N -1 1 384.469 1.174 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[C@H](C)c1ccccc1F ZINC001574513530 950610674 /nfs/dbraw/zinc/61/06/74/950610674.db2.gz SBPINGHOYVSJRH-NWDGAFQWSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[C@H](C)c1ccccc1F ZINC001574513530 950610686 /nfs/dbraw/zinc/61/06/86/950610686.db2.gz SBPINGHOYVSJRH-NWDGAFQWSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(CF)cc1 ZINC001575919867 950623604 /nfs/dbraw/zinc/62/36/04/950623604.db2.gz KWJFNCYIODWVLL-SMDDNHRTSA-N -1 1 382.403 1.263 20 0 GDADMM CC1(C)[C@H](NC(=O)C2CCC2)[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)[C@@H]21 ZINC001575622274 950634997 /nfs/dbraw/zinc/63/49/97/950634997.db2.gz BLEWUGOTLOTDSN-CFVMTHIKSA-N -1 1 382.472 1.566 20 0 GDADMM CC1(C)[C@H](NC(=O)C2CCC2)[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)[C@@H]21 ZINC001575622274 950635013 /nfs/dbraw/zinc/63/50/13/950635013.db2.gz BLEWUGOTLOTDSN-CFVMTHIKSA-N -1 1 382.472 1.566 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)cc(Cl)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575002438 950658208 /nfs/dbraw/zinc/65/82/08/950658208.db2.gz UEAHEURDJWXASX-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)cc(Cl)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575002438 950658223 /nfs/dbraw/zinc/65/82/23/950658223.db2.gz UEAHEURDJWXASX-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccnc(C2CC2)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574760497 950662986 /nfs/dbraw/zinc/66/29/86/950662986.db2.gz VWCKIBCGOAUNRE-NSHDSACASA-N -1 1 379.428 1.502 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccnc(C2CC2)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574760497 950662999 /nfs/dbraw/zinc/66/29/99/950662999.db2.gz VWCKIBCGOAUNRE-NSHDSACASA-N -1 1 379.428 1.502 20 0 GDADMM CC1(C)C2CCC1(C(=O)NCC1(Nc3nccnc3-c3nnn[n-]3)CC1)CC2 ZINC001575624848 950674824 /nfs/dbraw/zinc/67/48/24/950674824.db2.gz PJNSPAJTJQAXKF-UHFFFAOYSA-N -1 1 382.472 1.934 20 0 GDADMM CC1(C)C2CCC1(C(=O)NCC1(Nc3nccnc3-c3nn[n-]n3)CC1)CC2 ZINC001575624848 950674836 /nfs/dbraw/zinc/67/48/36/950674836.db2.gz PJNSPAJTJQAXKF-UHFFFAOYSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1ccccn1 ZINC001575924988 950675416 /nfs/dbraw/zinc/67/54/16/950675416.db2.gz GFMBETIOCYSZIS-TZMCWYRMSA-N -1 1 379.428 1.086 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1ccccn1 ZINC001575924988 950675435 /nfs/dbraw/zinc/67/54/35/950675435.db2.gz GFMBETIOCYSZIS-TZMCWYRMSA-N -1 1 379.428 1.086 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1ccncc1 ZINC001575925478 950685209 /nfs/dbraw/zinc/68/52/09/950685209.db2.gz GZWZURPFLNQKJV-TZMCWYRMSA-N -1 1 379.428 1.086 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1ccncc1 ZINC001575925478 950685219 /nfs/dbraw/zinc/68/52/19/950685219.db2.gz GZWZURPFLNQKJV-TZMCWYRMSA-N -1 1 379.428 1.086 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccc2c(c1)CCO2 ZINC001575926201 950700073 /nfs/dbraw/zinc/70/00/73/950700073.db2.gz WCYMMXQUPNUPEK-SMDDNHRTSA-N -1 1 392.423 1.307 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccc2c(c1)CCO2 ZINC001575926201 950700084 /nfs/dbraw/zinc/70/00/84/950700084.db2.gz WCYMMXQUPNUPEK-SMDDNHRTSA-N -1 1 392.423 1.307 20 0 GDADMM CC1(C)[C@H](NC(=O)CCCF)[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)[C@@H]21 ZINC001575626377 950708316 /nfs/dbraw/zinc/70/83/16/950708316.db2.gz ZDWXLIQYYVMBNN-LYRGGWFBSA-N -1 1 388.451 1.516 20 0 GDADMM CC1(C)[C@H](NC(=O)CCCF)[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)[C@@H]21 ZINC001575626377 950708331 /nfs/dbraw/zinc/70/83/31/950708331.db2.gz ZDWXLIQYYVMBNN-LYRGGWFBSA-N -1 1 388.451 1.516 20 0 GDADMM C[C@H]1CN(C(=O)C(C2CC2)C2CC2)CC[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576215860 950712779 /nfs/dbraw/zinc/71/27/79/950712779.db2.gz BXLZMMCPAYWVOU-SMDDNHRTSA-N -1 1 382.472 1.742 20 0 GDADMM C[C@H]1CN(C(=O)C(C2CC2)C2CC2)CC[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576215860 950712794 /nfs/dbraw/zinc/71/27/94/950712794.db2.gz BXLZMMCPAYWVOU-SMDDNHRTSA-N -1 1 382.472 1.742 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1occ2c1CCC2 ZINC001575926769 950724327 /nfs/dbraw/zinc/72/43/27/950724327.db2.gz LQBNFLALLGYNEC-ZWNOBZJWSA-N -1 1 380.412 1.454 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1occ2c1CCC2 ZINC001575926769 950724346 /nfs/dbraw/zinc/72/43/46/950724346.db2.gz LQBNFLALLGYNEC-ZWNOBZJWSA-N -1 1 380.412 1.454 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1 ZINC001573879892 950730983 /nfs/dbraw/zinc/73/09/83/950730983.db2.gz NTZDLLQUJDUTNC-HVNMYJMUSA-N -1 1 382.472 1.565 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1 ZINC001573879892 950730993 /nfs/dbraw/zinc/73/09/93/950730993.db2.gz NTZDLLQUJDUTNC-HVNMYJMUSA-N -1 1 382.472 1.565 20 0 GDADMM C[C@H](CN(C)C(=O)c1cnns1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574763891 950738417 /nfs/dbraw/zinc/73/84/17/950738417.db2.gz NEIYJWZCISDGEI-RXMQYKEDSA-N -1 1 385.866 1.401 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cnns1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574763892 950739171 /nfs/dbraw/zinc/73/91/71/950739171.db2.gz NEIYJWZCISDGEI-YFKPBYRVSA-N -1 1 385.866 1.401 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1cscn1 ZINC001575927526 950742358 /nfs/dbraw/zinc/74/23/58/950742358.db2.gz PWVDDCSZUQHIGF-ZYHUDNBSSA-N -1 1 385.457 1.147 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1cscn1 ZINC001575927526 950742374 /nfs/dbraw/zinc/74/23/74/950742374.db2.gz PWVDDCSZUQHIGF-ZYHUDNBSSA-N -1 1 385.457 1.147 20 0 GDADMM CC1(C)CC(C(=O)NC[C@H]2CCCCCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575629725 950742264 /nfs/dbraw/zinc/74/22/64/950742264.db2.gz RJWRWVJBPQIMFF-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CC(C(=O)N[C@@]23CCC[C@H]2N(c2cncc(-c4nnn[n-]4)n2)CC3)C1 ZINC001575629920 950746141 /nfs/dbraw/zinc/74/61/41/950746141.db2.gz UMVSHEIAHRXAPJ-AUUYWEPGSA-N -1 1 382.472 1.711 20 0 GDADMM CC1(C)CC(C(=O)N[C@@]23CCC[C@H]2N(c2cncc(-c4nn[n-]n4)n2)CC3)C1 ZINC001575629920 950746157 /nfs/dbraw/zinc/74/61/57/950746157.db2.gz UMVSHEIAHRXAPJ-AUUYWEPGSA-N -1 1 382.472 1.711 20 0 GDADMM CC1(C)CC(C(=O)N[C@]23CCC[C@H]2N(c2cnc(-c4nnn[n-]4)cn2)CC3)C1 ZINC001575630007 950757255 /nfs/dbraw/zinc/75/72/55/950757255.db2.gz YCWJULGTQIUFQT-KUHUBIRLSA-N -1 1 382.472 1.711 20 0 GDADMM CC1(C)CC(C(=O)N[C@]23CCC[C@H]2N(c2cnc(-c4nn[n-]n4)cn2)CC3)C1 ZINC001575630007 950757265 /nfs/dbraw/zinc/75/72/65/950757265.db2.gz YCWJULGTQIUFQT-KUHUBIRLSA-N -1 1 382.472 1.711 20 0 GDADMM CC(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001574183903 950766597 /nfs/dbraw/zinc/76/65/97/950766597.db2.gz AYDZFGHWUNFXJE-SNVBAGLBSA-N -1 1 378.437 1.858 20 0 GDADMM C[C@H]1[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)CCN1C(=O)c1cn[nH]c1 ZINC001575931115 950799049 /nfs/dbraw/zinc/79/90/49/950799049.db2.gz GWQPIGPAZUTVQN-XPUUQOCRSA-N -1 1 379.837 1.415 20 0 GDADMM C[C@H]1[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCN1C(=O)c1cn[nH]c1 ZINC001575931115 950799059 /nfs/dbraw/zinc/79/90/59/950799059.db2.gz GWQPIGPAZUTVQN-XPUUQOCRSA-N -1 1 379.837 1.415 20 0 GDADMM CC(C)CCCC(=O)N1CCC[C@@](CO)(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574186252 950800917 /nfs/dbraw/zinc/80/09/17/950800917.db2.gz AINJLPPGJKIPKO-GOSISDBHSA-N -1 1 388.476 1.248 20 0 GDADMM CC(C)CCCC(=O)N1CCC[C@@](CO)(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574186252 950800942 /nfs/dbraw/zinc/80/09/42/950800942.db2.gz AINJLPPGJKIPKO-GOSISDBHSA-N -1 1 388.476 1.248 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576219579 950809686 /nfs/dbraw/zinc/80/96/86/950809686.db2.gz OKBFEXAGGXCUJP-ONGXEEELSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576219579 950809716 /nfs/dbraw/zinc/80/97/16/950809716.db2.gz OKBFEXAGGXCUJP-ONGXEEELSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001575932232 950822293 /nfs/dbraw/zinc/82/22/93/950822293.db2.gz KXCOWKRKQPDGTF-DNSBFNIMSA-N -1 1 380.456 1.350 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001575932232 950822317 /nfs/dbraw/zinc/82/23/17/950822317.db2.gz KXCOWKRKQPDGTF-DNSBFNIMSA-N -1 1 380.456 1.350 20 0 GDADMM CC1(C)CC(CC(=O)NCC2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001575634102 950827134 /nfs/dbraw/zinc/82/71/34/950827134.db2.gz ZMAUBFQDGNSCLV-UHFFFAOYSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C)CC(CC(=O)NCC2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001575634102 950827155 /nfs/dbraw/zinc/82/71/55/950827155.db2.gz ZMAUBFQDGNSCLV-UHFFFAOYSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ncccn1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574766867 950828981 /nfs/dbraw/zinc/82/89/81/950828981.db2.gz NMHZTIXPGPWOGC-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ncccn1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574766867 950829000 /nfs/dbraw/zinc/82/90/00/950829000.db2.gz NMHZTIXPGPWOGC-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM CC(C)(C)c1nc(C(=O)N[C@H]2C[C@H](Nc3nccnc3-c3nnn[n-]3)C2)co1 ZINC001573885789 950830425 /nfs/dbraw/zinc/83/04/25/950830425.db2.gz UPNZACPBEDUGFF-MGCOHNPYSA-N -1 1 383.416 1.315 20 0 GDADMM CC(C)(C)c1nc(C(=O)N[C@H]2C[C@H](Nc3nccnc3-c3nn[n-]n3)C2)co1 ZINC001573885789 950830446 /nfs/dbraw/zinc/83/04/46/950830446.db2.gz UPNZACPBEDUGFF-MGCOHNPYSA-N -1 1 383.416 1.315 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C2CCC2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576222163 950862617 /nfs/dbraw/zinc/86/26/17/950862617.db2.gz XNCOIVGENADHDO-CHWSQXEVSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C2CCC2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576222163 950862632 /nfs/dbraw/zinc/86/26/32/950862632.db2.gz XNCOIVGENADHDO-CHWSQXEVSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H](CN(C)C(=O)c1csnn1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574767662 950864222 /nfs/dbraw/zinc/86/42/22/950864222.db2.gz UKGCDJLSSWTSHA-RXMQYKEDSA-N -1 1 385.866 1.401 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)CCc2nnc(C(F)F)o2)n1 ZINC001573888611 950868832 /nfs/dbraw/zinc/86/88/32/950868832.db2.gz XISGDWPLYGFMHL-UHFFFAOYSA-N -1 1 381.347 1.710 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)CCc2nnc(C(F)F)o2)n1 ZINC001573888611 950868855 /nfs/dbraw/zinc/86/88/55/950868855.db2.gz XISGDWPLYGFMHL-UHFFFAOYSA-N -1 1 381.347 1.710 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N(CCO)CCNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575639563 950870215 /nfs/dbraw/zinc/87/02/15/950870215.db2.gz CBGPBQONPOJQBV-MRVPVSSYSA-N -1 1 385.881 1.256 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N(CCO)CCNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575639563 950870230 /nfs/dbraw/zinc/87/02/30/950870230.db2.gz CBGPBQONPOJQBV-MRVPVSSYSA-N -1 1 385.881 1.256 20 0 GDADMM CC1(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)CC(C)(C)C2)CCC1 ZINC001575639638 950872887 /nfs/dbraw/zinc/87/28/87/950872887.db2.gz UYKZKDIJIAGDNH-CYBMUJFWSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)CC(C)(C)C2)CCC1 ZINC001575639638 950872901 /nfs/dbraw/zinc/87/29/01/950872901.db2.gz UYKZKDIJIAGDNH-CYBMUJFWSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)C[C@H](NC(=O)[C@H]2CC2(F)F)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575640087 950884232 /nfs/dbraw/zinc/88/42/32/950884232.db2.gz XASAGXXZJXZFBB-GHMZBOCLSA-N -1 1 392.414 1.423 20 0 GDADMM CC1(C)C[C@H](NC(=O)[C@H]2CC2(F)F)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575640087 950884249 /nfs/dbraw/zinc/88/42/49/950884249.db2.gz XASAGXXZJXZFBB-GHMZBOCLSA-N -1 1 392.414 1.423 20 0 GDADMM CC1(C(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)CC(C)(C)C2)CCC1 ZINC001575640249 950889992 /nfs/dbraw/zinc/88/99/92/950889992.db2.gz ZBXKEORSCKMUPM-CYBMUJFWSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)CC(C)(C)C2)CCC1 ZINC001575640249 950890012 /nfs/dbraw/zinc/89/00/12/950890012.db2.gz ZBXKEORSCKMUPM-CYBMUJFWSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)C[C@H](NC(=O)c2ccon2)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575640508 950895255 /nfs/dbraw/zinc/89/52/55/950895255.db2.gz HXYFPPAWPYBXCT-LLVKDONJSA-N -1 1 383.416 1.070 20 0 GDADMM CC1(C)C[C@H](NC(=O)c2ccon2)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575640508 950895274 /nfs/dbraw/zinc/89/52/74/950895274.db2.gz HXYFPPAWPYBXCT-LLVKDONJSA-N -1 1 383.416 1.070 20 0 GDADMM C[C@H]1[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCN1C(=O)Cc1ccc[nH]1 ZINC001575937115 950936296 /nfs/dbraw/zinc/93/62/96/950936296.db2.gz JFCISUKOVPYKNT-WCBMZHEXSA-N -1 1 392.876 1.949 20 0 GDADMM C[C@H]1[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCN1C(=O)Cc1ccc[nH]1 ZINC001575937115 950936305 /nfs/dbraw/zinc/93/63/05/950936305.db2.gz JFCISUKOVPYKNT-WCBMZHEXSA-N -1 1 392.876 1.949 20 0 GDADMM CC1(CC(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)CC(C)(C)C2)CC1 ZINC001575642357 950936538 /nfs/dbraw/zinc/93/65/38/950936538.db2.gz TXQQSBXIERSWNV-ZDUSSCGKSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(CC(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)CC(C)(C)C2)CC1 ZINC001575642357 950936559 /nfs/dbraw/zinc/93/65/59/950936559.db2.gz TXQQSBXIERSWNV-ZDUSSCGKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CN(C(=O)C2(C3CCC3)CCC2)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576228618 950948008 /nfs/dbraw/zinc/94/80/08/950948008.db2.gz HWUXVZTZCQDJDC-WFASDCNBSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@H]1CN(C(=O)C2(C3CCC3)CCC2)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576228618 950948024 /nfs/dbraw/zinc/94/80/24/950948024.db2.gz HWUXVZTZCQDJDC-WFASDCNBSA-N -1 1 382.472 1.886 20 0 GDADMM CC(C)(CC(=O)N[C@H]1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001573897811 950967453 /nfs/dbraw/zinc/96/74/53/950967453.db2.gz TVPJQAWUBUUWOM-OCCSQVGLSA-N -1 1 384.488 1.602 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)F)nc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575017129 950975418 /nfs/dbraw/zinc/97/54/18/950975418.db2.gz ANDHYNBEHRXRDI-SECBINFHSA-N -1 1 389.370 1.244 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)F)nc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575017129 950975430 /nfs/dbraw/zinc/97/54/30/950975430.db2.gz ANDHYNBEHRXRDI-SECBINFHSA-N -1 1 389.370 1.244 20 0 GDADMM O=C([O-])CC1(NC(=O)c2ccc(CNC(=O)C(F)(F)F)o2)CCOCC1 ZINC001594980133 950980354 /nfs/dbraw/zinc/98/03/54/950980354.db2.gz NCOBLFUCHGAXCC-UHFFFAOYSA-N -1 1 378.303 1.212 20 0 GDADMM C[C@H](CNC(=O)c1ccc(-n2cccc2)nc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575018925 951026985 /nfs/dbraw/zinc/02/69/85/951026985.db2.gz RPZPUDZRUIBRJT-GFCCVEGCSA-N -1 1 390.411 1.073 20 0 GDADMM C[C@H](CNC(=O)c1ccc(-n2cccc2)nc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575018925 951027002 /nfs/dbraw/zinc/02/70/02/951027002.db2.gz RPZPUDZRUIBRJT-GFCCVEGCSA-N -1 1 390.411 1.073 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)F)cc1F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575019374 951037771 /nfs/dbraw/zinc/03/77/71/951037771.db2.gz STKPQJJLMBIWPC-MRVPVSSYSA-N -1 1 392.345 1.386 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCC=C2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575024793 951115631 /nfs/dbraw/zinc/11/56/31/951115631.db2.gz MTLFBGRTHNNARA-GFCCVEGCSA-N -1 1 376.424 1.847 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCC=C2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575024793 951115642 /nfs/dbraw/zinc/11/56/42/951115642.db2.gz MTLFBGRTHNNARA-GFCCVEGCSA-N -1 1 376.424 1.847 20 0 GDADMM CCOC(=O)c1sc(NC(=O)CN(C)Cc2cnc[nH]2)c(C(=O)[O-])c1C ZINC001591425359 951132305 /nfs/dbraw/zinc/13/23/05/951132305.db2.gz BWKSPPMCOJHPOV-UHFFFAOYSA-N -1 1 380.426 1.725 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(Cl)c1F)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575026233 951140976 /nfs/dbraw/zinc/14/09/76/951140976.db2.gz HGRMEXUIPDCWLL-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(Cl)c1F)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575026233 951140984 /nfs/dbraw/zinc/14/09/84/951140984.db2.gz HGRMEXUIPDCWLL-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1cccc(Cl)c1F)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575026964 951150699 /nfs/dbraw/zinc/15/06/99/951150699.db2.gz OOSLTVACOOEPLY-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@H](CNC(=O)c1cccc(Cl)c1F)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575026964 951150701 /nfs/dbraw/zinc/15/07/01/951150701.db2.gz OOSLTVACOOEPLY-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CNC(=O)c1ccccc1C(F)(F)F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575027628 951163250 /nfs/dbraw/zinc/16/32/50/951163250.db2.gz HFUGHKWEISFKNC-VIFPVBQESA-N -1 1 392.345 1.328 20 0 GDADMM CC(C)c1cccc(C(=O)NC[C@@H](C)CNc2nccnc2-c2nnn[n-]2)n1 ZINC001575028101 951167136 /nfs/dbraw/zinc/16/71/36/951167136.db2.gz VBKFWWUPAJPTFI-LBPRGKRZSA-N -1 1 381.444 1.653 20 0 GDADMM CC(C)c1cccc(C(=O)NC[C@@H](C)CNc2nccnc2-c2nn[n-]n2)n1 ZINC001575028101 951167147 /nfs/dbraw/zinc/16/71/47/951167147.db2.gz VBKFWWUPAJPTFI-LBPRGKRZSA-N -1 1 381.444 1.653 20 0 GDADMM CC(C)c1cccc(C(=O)NC[C@@H](C)CNc2ccnc(-c3nn[n-]n3)n2)c1 ZINC001575028409 951173214 /nfs/dbraw/zinc/17/32/14/951173214.db2.gz WLPLOZQWRHBUOG-ZDUSSCGKSA-N -1 1 380.456 1.680 20 0 GDADMM CC(C)Oc1ncccc1C(=O)NC[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575031482 951193378 /nfs/dbraw/zinc/19/33/78/951193378.db2.gz BFHZJZTTWVFHTK-LLVKDONJSA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1ncccc1C(=O)NC[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575031482 951193381 /nfs/dbraw/zinc/19/33/81/951193381.db2.gz BFHZJZTTWVFHTK-LLVKDONJSA-N -1 1 383.416 1.069 20 0 GDADMM C[C@@H](CNC(=O)c1ccncn1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575034577 951251872 /nfs/dbraw/zinc/25/18/72/951251872.db2.gz NUKPONIJVHKQPA-ZETCQYMHSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1ccncn1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575034577 951251885 /nfs/dbraw/zinc/25/18/85/951251885.db2.gz NUKPONIJVHKQPA-ZETCQYMHSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@H](CNC(=O)c1ccn(C)c1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575035810 951282971 /nfs/dbraw/zinc/28/29/71/951282971.db2.gz MBDBHEOCZVKYDS-MRVPVSSYSA-N -1 1 380.865 1.793 20 0 GDADMM C[C@H](CNC(=O)c1ccn(C)c1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575035810 951282981 /nfs/dbraw/zinc/28/29/81/951282981.db2.gz MBDBHEOCZVKYDS-MRVPVSSYSA-N -1 1 380.865 1.793 20 0 GDADMM C[C@H](CNC(=O)c1ccnc(C2CC2)c1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575036465 951295341 /nfs/dbraw/zinc/29/53/41/951295341.db2.gz SFNJBNIJJVTUCG-NSHDSACASA-N -1 1 379.428 1.407 20 0 GDADMM C[C@H](CNC(=O)c1ccnc(C2CC2)c1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575036465 951295352 /nfs/dbraw/zinc/29/53/52/951295352.db2.gz SFNJBNIJJVTUCG-NSHDSACASA-N -1 1 379.428 1.407 20 0 GDADMM C[C@H]1CN(Cc2ccccc2)C[C@H]1NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000389798138 951358756 /nfs/dbraw/zinc/35/87/56/951358756.db2.gz QRBPJZVSOOSEEC-WMLDXEAASA-N -1 1 381.498 1.138 20 0 GDADMM C[C@H](CNC(=O)c1cnc(CC2CC2)s1)Nc1nccnc1-c1nnn[n-]1 ZINC001575043602 951399515 /nfs/dbraw/zinc/39/95/15/951399515.db2.gz KRHGBOIXXIEENY-SECBINFHSA-N -1 1 385.457 1.296 20 0 GDADMM C[C@H](CNC(=O)c1cnc(CC2CC2)s1)Nc1nccnc1-c1nn[n-]n1 ZINC001575043602 951399526 /nfs/dbraw/zinc/39/95/26/951399526.db2.gz KRHGBOIXXIEENY-SECBINFHSA-N -1 1 385.457 1.296 20 0 GDADMM CC(C)c1ncc(C(=O)NC[C@@H](C)CNc2ccc(-c3nnn[n-]3)nn2)s1 ZINC001575043932 951406447 /nfs/dbraw/zinc/40/64/47/951406447.db2.gz NBRQJPKDUFRUNI-JTQLQIEISA-N -1 1 387.473 1.715 20 0 GDADMM CC(C)c1ncc(C(=O)NC[C@@H](C)CNc2ccc(-c3nn[n-]n3)nn2)s1 ZINC001575043932 951406456 /nfs/dbraw/zinc/40/64/56/951406456.db2.gz NBRQJPKDUFRUNI-JTQLQIEISA-N -1 1 387.473 1.715 20 0 GDADMM C[C@H](CNC(=O)c1cnc(C2CC2)s1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575044917 951419865 /nfs/dbraw/zinc/41/98/65/951419865.db2.gz XLRRMFUXNVGJCC-VIFPVBQESA-N -1 1 385.457 1.469 20 0 GDADMM C[C@H](CNC(=O)c1cnc(C2CC2)s1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575044917 951419873 /nfs/dbraw/zinc/41/98/73/951419873.db2.gz XLRRMFUXNVGJCC-VIFPVBQESA-N -1 1 385.457 1.469 20 0 GDADMM C[C@H](CNC(=O)c1cncs1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575052728 951471899 /nfs/dbraw/zinc/47/18/99/951471899.db2.gz NGALPPVNYLLMSN-ZCFIWIBFSA-N -1 1 384.878 1.688 20 0 GDADMM C[C@H](CNC(=O)c1cncs1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575052728 951471907 /nfs/dbraw/zinc/47/19/07/951471907.db2.gz NGALPPVNYLLMSN-ZCFIWIBFSA-N -1 1 384.878 1.688 20 0 GDADMM CC(C)c1nc(C(=O)NC[C@H](C)CNc2ccnc(-c3nn[n-]n3)n2)cs1 ZINC001575059248 951540917 /nfs/dbraw/zinc/54/09/17/951540917.db2.gz YCGNLTAZWRLJDB-SNVBAGLBSA-N -1 1 387.473 1.137 20 0 GDADMM C[C@H](CNC(=O)c1cscn1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575060705 951544959 /nfs/dbraw/zinc/54/49/59/951544959.db2.gz DMMMMLLWXPVRSD-ZCFIWIBFSA-N -1 1 384.878 1.911 20 0 GDADMM C[C@@H](CNC(=O)c1n[nH]cc1F)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575060745 951547795 /nfs/dbraw/zinc/54/77/95/951547795.db2.gz FMGVMVYDPPLWNS-YFKPBYRVSA-N -1 1 385.816 1.094 20 0 GDADMM C[C@@H](CNC(=O)c1cscc1C(F)F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575062489 951568177 /nfs/dbraw/zinc/56/81/77/951568177.db2.gz WVCRDZFPTRGFTH-ZETCQYMHSA-N -1 1 380.384 1.308 20 0 GDADMM C[C@H](CNC(=O)c1nc(Cl)cs1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575062386 951568583 /nfs/dbraw/zinc/56/85/83/951568583.db2.gz VQFIEOUHTCNFFE-SSDOTTSWSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@H](CNC(=O)c1ncoc1C(C)(C)C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575065260 951582133 /nfs/dbraw/zinc/58/21/33/951582133.db2.gz AUXPPPQETZQFIH-SNVBAGLBSA-N -1 1 385.432 1.197 20 0 GDADMM C[C@H](CNC(=O)c1ncoc1C(C)(C)C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575065260 951582138 /nfs/dbraw/zinc/58/21/38/951582138.db2.gz AUXPPPQETZQFIH-SNVBAGLBSA-N -1 1 385.432 1.197 20 0 GDADMM O=C([O-])CN1CCC[C@@H](C(=O)NCc2ccc(Nc3ccncc3)cc2)C1=O ZINC001595082322 951695331 /nfs/dbraw/zinc/69/53/31/951695331.db2.gz GWSKXBBWBGUKMM-KRWDZBQOSA-N -1 1 382.420 1.187 20 0 GDADMM O=C([O-])CN1CCCC[C@@H](NC(=O)c2ccc(Nc3ccncc3)cc2)C1=O ZINC001595094864 951805768 /nfs/dbraw/zinc/80/57/68/951805768.db2.gz XOBWBHBZOSREFC-QGZVFWFLSA-N -1 1 382.420 1.443 20 0 GDADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)C[C@@H]1C[C@H]1C1CC1)C1CC1 ZINC001575128592 952069218 /nfs/dbraw/zinc/06/92/18/952069218.db2.gz JPZVAQNPEMVGAL-PJFSTRORSA-N -1 1 382.472 1.790 20 0 GDADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)C[C@@H]1C[C@H]1C1CC1)C1CC1 ZINC001575128592 952069228 /nfs/dbraw/zinc/06/92/28/952069228.db2.gz JPZVAQNPEMVGAL-PJFSTRORSA-N -1 1 382.472 1.790 20 0 GDADMM O=C([O-])Cn1cc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)nn1 ZINC001595143234 952098653 /nfs/dbraw/zinc/09/86/53/952098653.db2.gz WMGQFEGOUDBPNN-UHFFFAOYSA-N -1 1 377.832 1.411 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)CCCc1ccccc1 ZINC001575137016 952132730 /nfs/dbraw/zinc/13/27/30/952132730.db2.gz ZMLZHSICOPFUBX-CQSZACIVSA-N -1 1 380.456 1.938 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)CCCc1ccccc1 ZINC001575137016 952132736 /nfs/dbraw/zinc/13/27/36/952132736.db2.gz ZMLZHSICOPFUBX-CQSZACIVSA-N -1 1 380.456 1.938 20 0 GDADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)c1occc1Cl)C1CC1 ZINC001575139704 952141194 /nfs/dbraw/zinc/14/11/94/952141194.db2.gz ATAGXEWAMPILOF-MRXNPFEDSA-N -1 1 388.819 1.336 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)CCCc1ccccc1 ZINC001575140382 952142677 /nfs/dbraw/zinc/14/26/77/952142677.db2.gz CVSQJPNQVJVPQW-AWEZNQCLSA-N -1 1 380.456 1.360 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)CCc1ccc(F)cc1 ZINC001575142794 952148147 /nfs/dbraw/zinc/14/81/47/952148147.db2.gz LUSQLVKDIKBJFP-LBPRGKRZSA-N -1 1 384.419 1.109 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)CC(C)(C)CC(F)F ZINC001575143530 952154480 /nfs/dbraw/zinc/15/44/80/952154480.db2.gz QCPPOJMRTWZEPW-SNVBAGLBSA-N -1 1 382.419 1.409 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@]1(C)CCc2ccccc21 ZINC001575143517 952154911 /nfs/dbraw/zinc/15/49/11/952154911.db2.gz QBOGWLHYCXSUEJ-RNODOKPDSA-N -1 1 392.467 1.242 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)CCc1ccccc1F ZINC001575144840 952172560 /nfs/dbraw/zinc/17/25/60/952172560.db2.gz YEBYSCDEMIKDIA-LBPRGKRZSA-N -1 1 384.419 1.109 20 0 GDADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)C1CC(F)(F)C1)C1CC1 ZINC001575146589 952195923 /nfs/dbraw/zinc/19/59/23/952195923.db2.gz LUVMMUCTWHPIDK-OAHLLOKOSA-N -1 1 378.387 1.399 20 0 GDADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)C1CC(F)(F)C1)C1CC1 ZINC001575146589 952195925 /nfs/dbraw/zinc/19/59/25/952195925.db2.gz LUVMMUCTWHPIDK-OAHLLOKOSA-N -1 1 378.387 1.399 20 0 GDADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)[C@@H]1CCCC12CC2)C1CC1 ZINC001575147472 952200801 /nfs/dbraw/zinc/20/08/01/952200801.db2.gz UVVMAGLTIOFZKB-SCLBCKFNSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)[C@@H]1CCCC12CC2)C1CC1 ZINC001575147472 952200806 /nfs/dbraw/zinc/20/08/06/952200806.db2.gz UVVMAGLTIOFZKB-SCLBCKFNSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)COC1CCCC1)C1CC1 ZINC001575152959 952204873 /nfs/dbraw/zinc/20/48/73/952204873.db2.gz BGVWMJFIINPUGW-SFHVURJKSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)COC1CCCC1)C1CC1 ZINC001575152959 952204876 /nfs/dbraw/zinc/20/48/76/952204876.db2.gz BGVWMJFIINPUGW-SFHVURJKSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)CCn1cccc1)C1CC1 ZINC001575153955 952215195 /nfs/dbraw/zinc/21/51/95/952215195.db2.gz MQLHYDRWBYREEG-SFHVURJKSA-N -1 1 381.444 1.245 20 0 GDADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)CCn1cccc1)C1CC1 ZINC001575153955 952215199 /nfs/dbraw/zinc/21/51/99/952215199.db2.gz MQLHYDRWBYREEG-SFHVURJKSA-N -1 1 381.444 1.245 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)Cc1ccc2c(c1)CCC2 ZINC001575154104 952216351 /nfs/dbraw/zinc/21/63/51/952216351.db2.gz NSPAQIFQFDYXBN-ZDUSSCGKSA-N -1 1 392.467 1.647 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)Cc1ccc2c(c1)CCC2 ZINC001575154104 952216358 /nfs/dbraw/zinc/21/63/58/952216358.db2.gz NSPAQIFQFDYXBN-ZDUSSCGKSA-N -1 1 392.467 1.647 20 0 GDADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)c1ccccc1O)C1CC1 ZINC001575154400 952221105 /nfs/dbraw/zinc/22/11/05/952221105.db2.gz RKZGNUQPBZFLEO-SFHVURJKSA-N -1 1 380.412 1.373 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1c2ccccc2nn1C ZINC001575154439 952223908 /nfs/dbraw/zinc/22/39/08/952223908.db2.gz DGIBVCLTKPZHHQ-LLVKDONJSA-N -1 1 392.427 1.116 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1c2ccccc2nn1C ZINC001575154439 952223916 /nfs/dbraw/zinc/22/39/16/952223916.db2.gz DGIBVCLTKPZHHQ-LLVKDONJSA-N -1 1 392.427 1.116 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001575155572 952242080 /nfs/dbraw/zinc/24/20/80/952242080.db2.gz NNFIXAFMTRMKAU-SNVBAGLBSA-N -1 1 384.448 1.250 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H]1CCc2cccnc21 ZINC001575155815 952244122 /nfs/dbraw/zinc/24/41/22/952244122.db2.gz AJIDSQUZLZSFOF-AAEUAGOBSA-N -1 1 379.428 1.041 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCc2cccnc21 ZINC001575155815 952244130 /nfs/dbraw/zinc/24/41/30/952244130.db2.gz AJIDSQUZLZSFOF-AAEUAGOBSA-N -1 1 379.428 1.041 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1coc(C(F)F)c1 ZINC001575156627 952254307 /nfs/dbraw/zinc/25/43/07/952254307.db2.gz GXMDBXCJVNBUKD-MRVPVSSYSA-N -1 1 378.343 1.760 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1coc(C(F)F)c1 ZINC001575156627 952254314 /nfs/dbraw/zinc/25/43/14/952254314.db2.gz GXMDBXCJVNBUKD-MRVPVSSYSA-N -1 1 378.343 1.760 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cc(Cl)cn1C ZINC001575156614 952254766 /nfs/dbraw/zinc/25/47/66/952254766.db2.gz GRLKYSKBBBHUCC-VIFPVBQESA-N -1 1 375.824 1.221 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(Cl)cn1C ZINC001575156614 952254770 /nfs/dbraw/zinc/25/47/70/952254770.db2.gz GRLKYSKBBBHUCC-VIFPVBQESA-N -1 1 375.824 1.221 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CCCc1ccccc1 ZINC001575157371 952264553 /nfs/dbraw/zinc/26/45/53/952264553.db2.gz LXBQYKHBYQZROT-AWEZNQCLSA-N -1 1 380.456 1.938 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CCCc1ccccc1 ZINC001575157371 952264555 /nfs/dbraw/zinc/26/45/55/952264555.db2.gz LXBQYKHBYQZROT-AWEZNQCLSA-N -1 1 380.456 1.938 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)Cc1cccc(Cl)c1 ZINC001575157723 952268399 /nfs/dbraw/zinc/26/83/99/952268399.db2.gz PLHXGURTLMWYQC-LLVKDONJSA-N -1 1 386.847 1.812 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)Cc1cccc(Cl)c1 ZINC001575157723 952268405 /nfs/dbraw/zinc/26/84/05/952268405.db2.gz PLHXGURTLMWYQC-LLVKDONJSA-N -1 1 386.847 1.812 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CCCc1ccccn1 ZINC001575158679 952272637 /nfs/dbraw/zinc/27/26/37/952272637.db2.gz XCPZFIKYHQFEBV-ZDUSSCGKSA-N -1 1 381.444 1.333 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CCCc1ccccn1 ZINC001575158679 952272642 /nfs/dbraw/zinc/27/26/42/952272642.db2.gz XCPZFIKYHQFEBV-ZDUSSCGKSA-N -1 1 381.444 1.333 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001575158924 952274740 /nfs/dbraw/zinc/27/47/40/952274740.db2.gz XKCODIFJVRZBCH-CFVMTHIKSA-N -1 1 378.440 1.719 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001575158924 952274745 /nfs/dbraw/zinc/27/47/45/952274745.db2.gz XKCODIFJVRZBCH-CFVMTHIKSA-N -1 1 378.440 1.719 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)c1cccn1C ZINC001575164198 952288050 /nfs/dbraw/zinc/28/80/50/952288050.db2.gz CAMHWTMSKQDGTO-MRVPVSSYSA-N -1 1 380.865 1.888 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)c1cccn1C ZINC001575164198 952288053 /nfs/dbraw/zinc/28/80/53/952288053.db2.gz CAMHWTMSKQDGTO-MRVPVSSYSA-N -1 1 380.865 1.888 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)c1n[nH]cc1F ZINC001575166311 952323920 /nfs/dbraw/zinc/32/39/20/952323920.db2.gz VESGCHKWQAMMHH-YFKPBYRVSA-N -1 1 385.816 1.411 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)c1n[nH]cc1F ZINC001575166311 952323932 /nfs/dbraw/zinc/32/39/32/952323932.db2.gz VESGCHKWQAMMHH-YFKPBYRVSA-N -1 1 385.816 1.411 20 0 GDADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)c1cccn1C ZINC001575166734 952328816 /nfs/dbraw/zinc/32/88/16/952328816.db2.gz YBZZNDBLHLTQPW-MRVPVSSYSA-N -1 1 380.865 1.888 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ccsc1Cl ZINC001575174656 952376795 /nfs/dbraw/zinc/37/67/95/952376795.db2.gz BRSDNAVKXJXJTA-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ccsc1Cl ZINC001575174656 952376801 /nfs/dbraw/zinc/37/68/01/952376801.db2.gz BRSDNAVKXJXJTA-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)c1sccc1F)C1CC1 ZINC001575174720 952379006 /nfs/dbraw/zinc/37/90/06/952379006.db2.gz RJNSGPUNXPJDBJ-INIZCTEOSA-N -1 1 388.432 1.868 20 0 GDADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)c1sccc1F)C1CC1 ZINC001575174720 952379015 /nfs/dbraw/zinc/37/90/15/952379015.db2.gz RJNSGPUNXPJDBJ-INIZCTEOSA-N -1 1 388.432 1.868 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)c1csnn1 ZINC001575178110 952404983 /nfs/dbraw/zinc/40/49/83/952404983.db2.gz KKNOSSCLYBYLPK-YFKPBYRVSA-N -1 1 385.866 1.401 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)c1csnn1 ZINC001575178110 952404988 /nfs/dbraw/zinc/40/49/88/952404988.db2.gz KKNOSSCLYBYLPK-YFKPBYRVSA-N -1 1 385.866 1.401 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CC1(F)F ZINC001575178764 952408206 /nfs/dbraw/zinc/40/82/06/952408206.db2.gz MQEWZYXOTKWSFE-WDSKDSINSA-N -1 1 377.808 1.891 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CC1(F)F ZINC001575178764 952408208 /nfs/dbraw/zinc/40/82/08/952408208.db2.gz MQEWZYXOTKWSFE-WDSKDSINSA-N -1 1 377.808 1.891 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)C1=COCCO1 ZINC001575178828 952409439 /nfs/dbraw/zinc/40/94/39/952409439.db2.gz NXKPSKHFRCZIEB-SSDOTTSWSA-N -1 1 385.837 1.124 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)C1=COCCO1 ZINC001575178828 952409442 /nfs/dbraw/zinc/40/94/42/952409442.db2.gz NXKPSKHFRCZIEB-SSDOTTSWSA-N -1 1 385.837 1.124 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cc(Cl)cn1C ZINC001575179514 952411676 /nfs/dbraw/zinc/41/16/76/952411676.db2.gz PXCBFYBUFCUSEK-SECBINFHSA-N -1 1 375.824 1.221 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cc(Cl)cn1C ZINC001575179514 952411680 /nfs/dbraw/zinc/41/16/80/952411680.db2.gz PXCBFYBUFCUSEK-SECBINFHSA-N -1 1 375.824 1.221 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)c1n[nH]cc1F ZINC001575179487 952411865 /nfs/dbraw/zinc/41/18/65/952411865.db2.gz PRMHNGVJRVERAO-RXMQYKEDSA-N -1 1 385.816 1.411 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)c1n[nH]cc1F ZINC001575179487 952411867 /nfs/dbraw/zinc/41/18/67/952411867.db2.gz PRMHNGVJRVERAO-RXMQYKEDSA-N -1 1 385.816 1.411 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CC[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575187667 952443530 /nfs/dbraw/zinc/44/35/30/952443530.db2.gz DOACLGMBZHLTFF-QWHCGFSZSA-N -1 1 382.428 1.166 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CC[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575187667 952443534 /nfs/dbraw/zinc/44/35/34/952443534.db2.gz DOACLGMBZHLTFF-QWHCGFSZSA-N -1 1 382.428 1.166 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575188027 952444998 /nfs/dbraw/zinc/44/49/98/952444998.db2.gz GQNYCZOWANXHCG-STQMWFEESA-N -1 1 382.428 1.389 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575188027 952445004 /nfs/dbraw/zinc/44/50/04/952445004.db2.gz GQNYCZOWANXHCG-STQMWFEESA-N -1 1 382.428 1.389 20 0 GDADMM O=C(NCCc1ccc(O)c(CO)c1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001571114728 952460718 /nfs/dbraw/zinc/46/07/18/952460718.db2.gz MZSIOCGQBWYXHP-UHFFFAOYSA-N -1 1 375.335 1.315 20 0 GDADMM O=C(NCCc1ccc(O)c(CO)c1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001571114728 952460722 /nfs/dbraw/zinc/46/07/22/952460722.db2.gz MZSIOCGQBWYXHP-UHFFFAOYSA-N -1 1 375.335 1.315 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)Cc1ccc(F)cc1 ZINC001575190497 952463053 /nfs/dbraw/zinc/46/30/53/952463053.db2.gz SXRAWMGSRIJOJF-VXGBXAGGSA-N -1 1 384.419 1.013 20 0 GDADMM COc1cccc2c1CN(S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)C2 ZINC001571115521 952468285 /nfs/dbraw/zinc/46/82/85/952468285.db2.gz XLHJVVVXEHLGLF-UHFFFAOYSA-N -1 1 375.385 1.719 20 0 GDADMM COc1cccc2c1CN(S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)C2 ZINC001571115521 952468288 /nfs/dbraw/zinc/46/82/88/952468288.db2.gz XLHJVVVXEHLGLF-UHFFFAOYSA-N -1 1 375.385 1.719 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCC1 ZINC001575195848 952473304 /nfs/dbraw/zinc/47/33/04/952473304.db2.gz BYNXJKCOYRKCRU-LBPRGKRZSA-N -1 1 382.428 1.579 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCC1 ZINC001575195848 952473308 /nfs/dbraw/zinc/47/33/08/952473308.db2.gz BYNXJKCOYRKCRU-LBPRGKRZSA-N -1 1 382.428 1.579 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575196150 952473982 /nfs/dbraw/zinc/47/39/82/952473982.db2.gz DVLJVTLCUBOEBX-OLZOCXBDSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575196150 952473987 /nfs/dbraw/zinc/47/39/87/952473987.db2.gz DVLJVTLCUBOEBX-OLZOCXBDSA-N -1 1 382.428 1.214 20 0 GDADMM COc1ccc(C(=O)N2CC[C@@H](Nc3snc(C)c3-c3nn[n-]n3)C2)o1 ZINC001571116656 952477400 /nfs/dbraw/zinc/47/74/00/952477400.db2.gz BKYCSQOJMDEFGS-SECBINFHSA-N -1 1 375.414 1.560 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575197091 952479746 /nfs/dbraw/zinc/47/97/46/952479746.db2.gz MYUIECDHDUUQEV-STQMWFEESA-N -1 1 382.428 1.071 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575197091 952479749 /nfs/dbraw/zinc/47/97/49/952479749.db2.gz MYUIECDHDUUQEV-STQMWFEESA-N -1 1 382.428 1.071 20 0 GDADMM Cc1nsc(NC[C@@H]2CN(C(=O)[C@@H]3CC34CC4)CCO2)c1-c1nn[n-]n1 ZINC001571118072 952485815 /nfs/dbraw/zinc/48/58/15/952485815.db2.gz UBONFMGITWUIQN-MNOVXSKESA-N -1 1 375.458 1.071 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001571120691 952506426 /nfs/dbraw/zinc/50/64/26/952506426.db2.gz PQPKTSWJCXYJSW-AWEZNQCLSA-N -1 1 376.424 1.556 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571120691 952506434 /nfs/dbraw/zinc/50/64/34/952506434.db2.gz PQPKTSWJCXYJSW-AWEZNQCLSA-N -1 1 376.424 1.556 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC001571120929 952511267 /nfs/dbraw/zinc/51/12/67/952511267.db2.gz UIYKYVKNUPHMBN-LJISPDSOSA-N -1 1 376.424 1.520 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC001571120929 952511270 /nfs/dbraw/zinc/51/12/70/952511270.db2.gz UIYKYVKNUPHMBN-LJISPDSOSA-N -1 1 376.424 1.520 20 0 GDADMM O=C([C@@H]1CC1(F)F)N1CC[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571121196 952516514 /nfs/dbraw/zinc/51/65/14/952516514.db2.gz XZMQPWQOQNNKGS-RITPCOANSA-N -1 1 375.792 1.645 20 0 GDADMM O=C([C@@H]1CC1(F)F)N1CC[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571121196 952516521 /nfs/dbraw/zinc/51/65/21/952516521.db2.gz XZMQPWQOQNNKGS-RITPCOANSA-N -1 1 375.792 1.645 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@@H]2C)cc1 ZINC001571121165 952516934 /nfs/dbraw/zinc/51/69/34/952516934.db2.gz XARYMRGHSCBPBI-WFASDCNBSA-N -1 1 376.424 1.437 20 0 GDADMM O=C(c1cscc1Cl)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571123059 952527695 /nfs/dbraw/zinc/52/76/95/952527695.db2.gz MXAGLQFJDPDQNG-UHFFFAOYSA-N -1 1 376.833 1.334 20 0 GDADMM CO[C@H](C)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571123104 952528149 /nfs/dbraw/zinc/52/81/49/952528149.db2.gz OXDGAMBPDCTLKT-IUODEOHRSA-N -1 1 376.436 1.464 20 0 GDADMM C[C@H](Cn1cccn1)NC(=O)Nc1ccc(Br)c(-c2nnn[n-]2)n1 ZINC001575207570 952534412 /nfs/dbraw/zinc/53/44/12/952534412.db2.gz RHJYMVUCYOXLRL-MRVPVSSYSA-N -1 1 392.221 1.431 20 0 GDADMM C[C@H](Cn1cccn1)NC(=O)Nc1ccc(Br)c(-c2nn[n-]n2)n1 ZINC001575207570 952534414 /nfs/dbraw/zinc/53/44/14/952534414.db2.gz RHJYMVUCYOXLRL-MRVPVSSYSA-N -1 1 392.221 1.431 20 0 GDADMM C[C@@](O)(C(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1)c1ccc(F)cc1 ZINC001571124443 952538761 /nfs/dbraw/zinc/53/87/61/952538761.db2.gz JBQWIGDHTCSYOF-KRWDZBQOSA-N -1 1 377.326 1.808 20 0 GDADMM C[C@@](O)(C(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1)c1ccc(F)cc1 ZINC001571124443 952538766 /nfs/dbraw/zinc/53/87/66/952538766.db2.gz JBQWIGDHTCSYOF-KRWDZBQOSA-N -1 1 377.326 1.808 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001575213583 952558743 /nfs/dbraw/zinc/55/87/43/952558743.db2.gz BKKYCQORLGYVQI-AOOOYVTPSA-N -1 1 380.403 1.645 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001575213583 952558745 /nfs/dbraw/zinc/55/87/45/952558745.db2.gz BKKYCQORLGYVQI-AOOOYVTPSA-N -1 1 380.403 1.645 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NCC1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001575213588 952559251 /nfs/dbraw/zinc/55/92/51/952559251.db2.gz BKKYCQORLGYVQI-UHFFFAOYSA-N -1 1 380.403 1.645 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NCC1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001575213588 952559257 /nfs/dbraw/zinc/55/92/57/952559257.db2.gz BKKYCQORLGYVQI-UHFFFAOYSA-N -1 1 380.403 1.645 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001575213672 952560136 /nfs/dbraw/zinc/56/01/36/952560136.db2.gz FCIJZUPGRKHWDF-RTCCRHLQSA-N -1 1 392.414 1.137 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001575213672 952560138 /nfs/dbraw/zinc/56/01/38/952560138.db2.gz FCIJZUPGRKHWDF-RTCCRHLQSA-N -1 1 392.414 1.137 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575214909 952566254 /nfs/dbraw/zinc/56/62/54/952566254.db2.gz PILDQYPIZAHFBY-MGCOHNPYSA-N -1 1 380.403 1.645 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575214909 952566259 /nfs/dbraw/zinc/56/62/59/952566259.db2.gz PILDQYPIZAHFBY-MGCOHNPYSA-N -1 1 380.403 1.645 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001575214729 952566293 /nfs/dbraw/zinc/56/62/93/952566293.db2.gz OOIVCBHSBFEJAL-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001575214729 952566299 /nfs/dbraw/zinc/56/62/99/952566299.db2.gz OOIVCBHSBFEJAL-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM O=C([C@H]1C[C@@H]1C(F)F)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571130943 952584016 /nfs/dbraw/zinc/58/40/16/952584016.db2.gz ZITOOMLMPDFITC-DCAQKATOSA-N -1 1 378.387 1.351 20 0 GDADMM O=C([C@H]1C[C@@H]1C(F)F)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571130943 952584020 /nfs/dbraw/zinc/58/40/20/952584020.db2.gz ZITOOMLMPDFITC-DCAQKATOSA-N -1 1 378.387 1.351 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)N(c3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001571134468 952590417 /nfs/dbraw/zinc/59/04/17/952590417.db2.gz IKPBYUGSMYMNCE-UKRRQHHQSA-N -1 1 378.440 1.752 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)N(c3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001571134468 952590420 /nfs/dbraw/zinc/59/04/20/952590420.db2.gz IKPBYUGSMYMNCE-UKRRQHHQSA-N -1 1 378.440 1.752 20 0 GDADMM CCc1cccc(CC(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571134924 952597566 /nfs/dbraw/zinc/59/75/66/952597566.db2.gz NLUWTMPVMAYWLN-OAHLLOKOSA-N -1 1 378.440 1.157 20 0 GDADMM CCc1cccc(CC(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571134924 952597571 /nfs/dbraw/zinc/59/75/71/952597571.db2.gz NLUWTMPVMAYWLN-OAHLLOKOSA-N -1 1 378.440 1.157 20 0 GDADMM Cc1ccc(C(=O)N2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C(C)(C)C2)cc1 ZINC001571135197 952600935 /nfs/dbraw/zinc/60/09/35/952600935.db2.gz SYFITXOFQNZGIO-HNNXBMFYSA-N -1 1 378.440 1.928 20 0 GDADMM Cc1ccc(C(=O)N2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C(C)(C)C2)cc1 ZINC001571135197 952600937 /nfs/dbraw/zinc/60/09/37/952600937.db2.gz SYFITXOFQNZGIO-HNNXBMFYSA-N -1 1 378.440 1.928 20 0 GDADMM Cc1ccc(CCC(=O)N2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)cc1 ZINC001571135182 952601008 /nfs/dbraw/zinc/60/10/08/952601008.db2.gz SOIYVYKDCQMIAF-UHFFFAOYSA-N -1 1 378.440 1.247 20 0 GDADMM CC1(C)CN(c2cncc(-c3nnn[n-]3)n2)CC[C@@H]1NC(=O)c1ccccc1 ZINC001571135410 952603281 /nfs/dbraw/zinc/60/32/81/952603281.db2.gz VNGRJOCELUUNCL-HNNXBMFYSA-N -1 1 378.440 1.692 20 0 GDADMM CC1(C)CN(c2cncc(-c3nn[n-]n3)n2)CC[C@@H]1NC(=O)c1ccccc1 ZINC001571135410 952603282 /nfs/dbraw/zinc/60/32/82/952603282.db2.gz VNGRJOCELUUNCL-HNNXBMFYSA-N -1 1 378.440 1.692 20 0 GDADMM Cc1ccccc1CC(=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571135470 952605036 /nfs/dbraw/zinc/60/50/36/952605036.db2.gz YIMYYWLKJBZDIP-OAHLLOKOSA-N -1 1 378.440 1.611 20 0 GDADMM Cc1ccccc1CC(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571135470 952605038 /nfs/dbraw/zinc/60/50/38/952605038.db2.gz YIMYYWLKJBZDIP-OAHLLOKOSA-N -1 1 378.440 1.611 20 0 GDADMM COC(=O)c1cccc2c1CCN(C(=O)Nc1cccc(-c3nnn[n-]3)n1)C2 ZINC001571139607 952621088 /nfs/dbraw/zinc/62/10/88/952621088.db2.gz JSYPMICOQRBWKJ-UHFFFAOYSA-N -1 1 379.380 1.639 20 0 GDADMM COC(=O)c1cccc2c1CCN(C(=O)Nc1cccc(-c3nn[n-]n3)n1)C2 ZINC001571139607 952621090 /nfs/dbraw/zinc/62/10/90/952621090.db2.gz JSYPMICOQRBWKJ-UHFFFAOYSA-N -1 1 379.380 1.639 20 0 GDADMM O=C(Cc1ccc[nH]1)N[C@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571142681 952644823 /nfs/dbraw/zinc/64/48/23/952644823.db2.gz VFUWRHLPVHZCON-VIFPVBQESA-N -1 1 378.849 1.242 20 0 GDADMM CC[C@@H]1CN(C(=O)c2cccnc2)CC[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571147395 952660571 /nfs/dbraw/zinc/66/05/71/952660571.db2.gz LZJOJOYWAUASKX-OCCSQVGLSA-N -1 1 379.428 1.405 20 0 GDADMM CC[C@@H]1CN(C(=O)c2cccnc2)CC[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571147395 952660575 /nfs/dbraw/zinc/66/05/75/952660575.db2.gz LZJOJOYWAUASKX-OCCSQVGLSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)c1cccnc1 ZINC001571147725 952663895 /nfs/dbraw/zinc/66/38/95/952663895.db2.gz PCFPCVHHUJRQDO-GXTWGEPZSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)c1cccnc1 ZINC001571147725 952663899 /nfs/dbraw/zinc/66/38/99/952663899.db2.gz PCFPCVHHUJRQDO-GXTWGEPZSA-N -1 1 379.428 1.258 20 0 GDADMM CCc1ccnc(C(=O)NC[C@@H]2CCCN2c2nccnc2-c2nnn[n-]2)c1 ZINC001571147962 952664209 /nfs/dbraw/zinc/66/42/09/952664209.db2.gz SBQSXAHAOLBXPO-ZDUSSCGKSA-N -1 1 379.428 1.013 20 0 GDADMM CCc1ccnc(C(=O)NC[C@@H]2CCCN2c2nccnc2-c2nn[n-]n2)c1 ZINC001571147962 952664210 /nfs/dbraw/zinc/66/42/10/952664210.db2.gz SBQSXAHAOLBXPO-ZDUSSCGKSA-N -1 1 379.428 1.013 20 0 GDADMM CCc1ccnc(C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571148028 952665787 /nfs/dbraw/zinc/66/57/87/952665787.db2.gz TXHXBVRXUQDOHU-ZDUSSCGKSA-N -1 1 379.428 1.013 20 0 GDADMM CCc1ccnc(C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571148028 952665791 /nfs/dbraw/zinc/66/57/91/952665791.db2.gz TXHXBVRXUQDOHU-ZDUSSCGKSA-N -1 1 379.428 1.013 20 0 GDADMM Cc1nsc(N2C[C@@H]3CN(C(=O)C(C)(C)F)C[C@]3(C)C2)c1-c1nn[n-]n1 ZINC001571151846 952679432 /nfs/dbraw/zinc/67/94/32/952679432.db2.gz ZBVVZNVZAWUQDQ-HWPZZCPQSA-N -1 1 379.465 1.664 20 0 GDADMM Cc1nsc(NCC2CCN(C(=O)CC(C)(C)O)CC2)c1-c1nn[n-]n1 ZINC001571152254 952682288 /nfs/dbraw/zinc/68/22/88/952682288.db2.gz GGWMKXSYFVHGJY-UHFFFAOYSA-N -1 1 379.490 1.443 20 0 GDADMM Cc1nsc(N[C@H](C)[C@@H]2CN(C(=O)C(C)(C)C)CCO2)c1-c1nn[n-]n1 ZINC001571152879 952684288 /nfs/dbraw/zinc/68/42/88/952684288.db2.gz KCWBCIACJXIDAB-KOLCDFICSA-N -1 1 379.490 1.706 20 0 GDADMM O=C(C1CCCC1)N1C[C@@H]2C[C@H]1CN2c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001571153963 952688813 /nfs/dbraw/zinc/68/88/13/952688813.db2.gz XBYWCXGHIWJTES-UWVGGRQHSA-N -1 1 379.877 1.956 20 0 GDADMM CC1(NC(=O)c2ccccc2O)CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571154852 952690325 /nfs/dbraw/zinc/69/03/25/952690325.db2.gz CKLGYQNVIDWMDK-UHFFFAOYSA-N -1 1 380.412 1.151 20 0 GDADMM CC1(NC(=O)c2ccccc2O)CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571154852 952690328 /nfs/dbraw/zinc/69/03/28/952690328.db2.gz CKLGYQNVIDWMDK-UHFFFAOYSA-N -1 1 380.412 1.151 20 0 GDADMM CCN(C(=O)c1ccccc1O)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571155379 952695689 /nfs/dbraw/zinc/69/56/89/952695689.db2.gz PXYXKACKDLCCRU-GFCCVEGCSA-N -1 1 380.412 1.103 20 0 GDADMM C[C@@]1(NC(=O)c2ccoc2C2CC2)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571155487 952698037 /nfs/dbraw/zinc/69/80/37/952698037.db2.gz UJELRLWNCWARKA-GOSISDBHSA-N -1 1 380.412 1.526 20 0 GDADMM C[C@@]1(NC(=O)c2ccoc2C2CC2)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571155487 952698039 /nfs/dbraw/zinc/69/80/39/952698039.db2.gz UJELRLWNCWARKA-GOSISDBHSA-N -1 1 380.412 1.526 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1)c1ccco1 ZINC001571155755 952699657 /nfs/dbraw/zinc/69/96/57/952699657.db2.gz ZGOGPNGYDGJKHU-AGIUHOORSA-N -1 1 380.412 1.233 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1)c1ccco1 ZINC001571155755 952699659 /nfs/dbraw/zinc/69/96/59/952699659.db2.gz ZGOGPNGYDGJKHU-AGIUHOORSA-N -1 1 380.412 1.233 20 0 GDADMM Cc1cncc(C(=O)N2CCCC[C@H]2CNc2cncc(-c3nnn[n-]3)n2)c1 ZINC001571157191 952706834 /nfs/dbraw/zinc/70/68/34/952706834.db2.gz NJCFQRZVNXTVLR-AWEZNQCLSA-N -1 1 379.428 1.467 20 0 GDADMM Cc1cncc(C(=O)N2CCCC[C@H]2CNc2cncc(-c3nn[n-]n3)n2)c1 ZINC001571157191 952706837 /nfs/dbraw/zinc/70/68/37/952706837.db2.gz NJCFQRZVNXTVLR-AWEZNQCLSA-N -1 1 379.428 1.467 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H]([C@@H](C)Nc3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001571158067 952708924 /nfs/dbraw/zinc/70/89/24/952708924.db2.gz QMEVHUKXIPVXQT-TZMCWYRMSA-N -1 1 379.428 1.323 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H]([C@@H](C)Nc3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571158067 952708927 /nfs/dbraw/zinc/70/89/27/952708927.db2.gz QMEVHUKXIPVXQT-TZMCWYRMSA-N -1 1 379.428 1.323 20 0 GDADMM Cc1ccncc1C(=O)N1CCC(N(C)c2nccnc2-c2nnn[n-]2)CC1 ZINC001571158101 952709942 /nfs/dbraw/zinc/70/99/42/952709942.db2.gz QXWOFGDKLZEBSY-UHFFFAOYSA-N -1 1 379.428 1.101 20 0 GDADMM Cc1ccncc1C(=O)N1CCC(N(C)c2nccnc2-c2nn[n-]n2)CC1 ZINC001571158101 952709948 /nfs/dbraw/zinc/70/99/48/952709948.db2.gz QXWOFGDKLZEBSY-UHFFFAOYSA-N -1 1 379.428 1.101 20 0 GDADMM Cc1cnc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H]2C)cc1C ZINC001571158884 952714586 /nfs/dbraw/zinc/71/45/86/952714586.db2.gz SYQZYJLDTPMNKM-QWHCGFSZSA-N -1 1 379.428 1.384 20 0 GDADMM Cc1cnc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H]2C)cc1C ZINC001571158884 952714589 /nfs/dbraw/zinc/71/45/89/952714589.db2.gz SYQZYJLDTPMNKM-QWHCGFSZSA-N -1 1 379.428 1.384 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C23CCC3)co1 ZINC001571159525 952719669 /nfs/dbraw/zinc/71/96/69/952719669.db2.gz XHDSUVCOSYESFA-UONOGXRCSA-N -1 1 380.412 1.711 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C23CCC3)co1 ZINC001571159525 952719675 /nfs/dbraw/zinc/71/96/75/952719675.db2.gz XHDSUVCOSYESFA-UONOGXRCSA-N -1 1 380.412 1.711 20 0 GDADMM Cc1cc(C(=O)N2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C(C)(C)C2)ccn1 ZINC001571159608 952720645 /nfs/dbraw/zinc/72/06/45/952720645.db2.gz UZKHSUDOMKCIGS-CQSZACIVSA-N -1 1 379.428 1.323 20 0 GDADMM Cc1cc(C(=O)N2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C(C)(C)C2)ccn1 ZINC001571159608 952720648 /nfs/dbraw/zinc/72/06/48/952720648.db2.gz UZKHSUDOMKCIGS-CQSZACIVSA-N -1 1 379.428 1.323 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)c3occ4c3CCC4)C2)n1 ZINC001571159695 952721155 /nfs/dbraw/zinc/72/11/55/952721155.db2.gz ZDRJRBTYKUOLOD-LBPRGKRZSA-N -1 1 380.412 1.373 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)c3occ4c3CCC4)C2)n1 ZINC001571159695 952721161 /nfs/dbraw/zinc/72/11/61/952721161.db2.gz ZDRJRBTYKUOLOD-LBPRGKRZSA-N -1 1 380.412 1.373 20 0 GDADMM Cc1cccnc1C(=O)N[C@@H]1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571159775 952722292 /nfs/dbraw/zinc/72/22/92/952722292.db2.gz WONAPCHWADWWKA-CHWSQXEVSA-N -1 1 379.428 1.371 20 0 GDADMM Cc1cccnc1C(=O)N[C@@H]1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571159775 952722293 /nfs/dbraw/zinc/72/22/93/952722293.db2.gz WONAPCHWADWWKA-CHWSQXEVSA-N -1 1 379.428 1.371 20 0 GDADMM Cc1ccoc1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001571160019 952723275 /nfs/dbraw/zinc/72/32/75/952723275.db2.gz ARWCIJPARIWYRN-BETUJISGSA-N -1 1 380.412 1.442 20 0 GDADMM Cc1ccoc1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001571160019 952723278 /nfs/dbraw/zinc/72/32/78/952723278.db2.gz ARWCIJPARIWYRN-BETUJISGSA-N -1 1 380.412 1.442 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)[C@@H](C)C2)n1 ZINC001571160387 952726233 /nfs/dbraw/zinc/72/62/33/952726233.db2.gz ZWNLUWCCUZMBLM-WCQYABFASA-N -1 1 379.428 1.323 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)[C@@H](C)C2)n1 ZINC001571160387 952726236 /nfs/dbraw/zinc/72/62/36/952726236.db2.gz ZWNLUWCCUZMBLM-WCQYABFASA-N -1 1 379.428 1.323 20 0 GDADMM Cc1ccoc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571160874 952730029 /nfs/dbraw/zinc/73/00/29/952730029.db2.gz NXJWYRVTVSMZCH-OLZOCXBDSA-N -1 1 380.412 1.442 20 0 GDADMM Cc1ccoc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571160874 952730033 /nfs/dbraw/zinc/73/00/33/952730033.db2.gz NXJWYRVTVSMZCH-OLZOCXBDSA-N -1 1 380.412 1.442 20 0 GDADMM O=C(N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)[C@H]1CC2CCC1CC2 ZINC001571171709 952796431 /nfs/dbraw/zinc/79/64/31/952796431.db2.gz DNGTYYJTOXLUDS-PKQDEXFESA-N -1 1 380.456 1.034 20 0 GDADMM O=C(N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)[C@H]1CC2CCC1CC2 ZINC001571171709 952796432 /nfs/dbraw/zinc/79/64/32/952796432.db2.gz DNGTYYJTOXLUDS-PKQDEXFESA-N -1 1 380.456 1.034 20 0 GDADMM O=C(C[C@@H]1CC[C@H]2C[C@H]21)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571172024 952799924 /nfs/dbraw/zinc/79/99/24/952799924.db2.gz KQZLQZXSKLUBQH-BTFPBAQTSA-N -1 1 380.456 1.273 20 0 GDADMM O=C(C[C@@H]1CC[C@H]2C[C@H]21)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571172024 952799931 /nfs/dbraw/zinc/79/99/31/952799931.db2.gz KQZLQZXSKLUBQH-BTFPBAQTSA-N -1 1 380.456 1.273 20 0 GDADMM C[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)C[C@H]1NC(=O)c1cnco1 ZINC001571172019 952800078 /nfs/dbraw/zinc/80/00/78/952800078.db2.gz KPOPKKFDFAGDJD-RNFRBKRXSA-N -1 1 380.821 1.219 20 0 GDADMM C[C@@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)C[C@H]1NC(=O)c1cnco1 ZINC001571172019 952800083 /nfs/dbraw/zinc/80/00/83/952800083.db2.gz KPOPKKFDFAGDJD-RNFRBKRXSA-N -1 1 380.821 1.219 20 0 GDADMM O=C(N[C@@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C12CCC2)C1CC2(CC2)C1 ZINC001571172005 952800176 /nfs/dbraw/zinc/80/01/76/952800176.db2.gz KCXWQKOPGIWSSB-UONOGXRCSA-N -1 1 380.456 1.686 20 0 GDADMM O=C(N[C@@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C12CCC2)C1CC2(CC2)C1 ZINC001571172005 952800181 /nfs/dbraw/zinc/80/01/81/952800181.db2.gz KCXWQKOPGIWSSB-UONOGXRCSA-N -1 1 380.456 1.686 20 0 GDADMM O=C([C@@H]1CCC[C@@H]2C[C@@H]21)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001571172152 952802527 /nfs/dbraw/zinc/80/25/27/952802527.db2.gz NZVGNOZDIJHRFK-QMIVOQANSA-N -1 1 380.456 1.273 20 0 GDADMM O=C([C@@H]1CCC[C@@H]2C[C@@H]21)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001571172152 952802531 /nfs/dbraw/zinc/80/25/31/952802531.db2.gz NZVGNOZDIJHRFK-QMIVOQANSA-N -1 1 380.456 1.273 20 0 GDADMM O=C(NC[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)C1=CCCCCC1 ZINC001571172181 952802714 /nfs/dbraw/zinc/80/27/14/952802714.db2.gz OMYCDSLFLXWVPQ-QKDCVEJESA-N -1 1 380.456 1.346 20 0 GDADMM O=C(NC[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)C1=CCCCCC1 ZINC001571172181 952802723 /nfs/dbraw/zinc/80/27/23/952802723.db2.gz OMYCDSLFLXWVPQ-QKDCVEJESA-N -1 1 380.456 1.346 20 0 GDADMM CC(C)c1[nH]ccc1C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571179343 952852332 /nfs/dbraw/zinc/85/23/32/952852332.db2.gz BNBVSAHADMUEAQ-UHFFFAOYSA-N -1 1 381.444 1.461 20 0 GDADMM CC(C)c1[nH]ccc1C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571179343 952852337 /nfs/dbraw/zinc/85/23/37/952852337.db2.gz BNBVSAHADMUEAQ-UHFFFAOYSA-N -1 1 381.444 1.461 20 0 GDADMM CC(C)n1cccc1C(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571183688 952881877 /nfs/dbraw/zinc/88/18/77/952881877.db2.gz HNEXJHLAUOVVHT-ZDUSSCGKSA-N -1 1 381.444 1.178 20 0 GDADMM CC(C)n1cccc1C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)[C@@H]1C ZINC001571183832 952883476 /nfs/dbraw/zinc/88/34/76/952883476.db2.gz KNZJITJJDWZDPZ-STQMWFEESA-N -1 1 381.444 1.754 20 0 GDADMM CC(C)n1cccc1C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)[C@@H]1C ZINC001571183832 952883479 /nfs/dbraw/zinc/88/34/79/952883479.db2.gz KNZJITJJDWZDPZ-STQMWFEESA-N -1 1 381.444 1.754 20 0 GDADMM CCCc1[nH]ccc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@H]1C ZINC001571184091 952888548 /nfs/dbraw/zinc/88/85/48/952888548.db2.gz QCSWVZKUHKKZMQ-YPMHNXCESA-N -1 1 381.444 1.074 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571184163 952889440 /nfs/dbraw/zinc/88/94/40/952889440.db2.gz RZQRKGZHXYLMKJ-CYBMUJFWSA-N -1 1 381.444 1.438 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571184163 952889445 /nfs/dbraw/zinc/88/94/45/952889445.db2.gz RZQRKGZHXYLMKJ-CYBMUJFWSA-N -1 1 381.444 1.438 20 0 GDADMM CCc1nc(NC[C@H]2CCN(C(=O)c3[nH]ccc3C)C2)cc(-c2nnn[n-]2)n1 ZINC001571184293 952891014 /nfs/dbraw/zinc/89/10/14/952891014.db2.gz VPJXESCZTVTRQN-GFCCVEGCSA-N -1 1 381.444 1.430 20 0 GDADMM CCc1nc(NC[C@H]2CCN(C(=O)c3[nH]ccc3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571184293 952891018 /nfs/dbraw/zinc/89/10/18/952891018.db2.gz VPJXESCZTVTRQN-GFCCVEGCSA-N -1 1 381.444 1.430 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)c3cccn3C)C[C@@H]2C)n1 ZINC001571185696 952902990 /nfs/dbraw/zinc/90/29/90/952902990.db2.gz OKILHWKBZZJOLI-STQMWFEESA-N -1 1 381.444 1.091 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)c3cccn3C)C[C@@H]2C)n1 ZINC001571185696 952902994 /nfs/dbraw/zinc/90/29/94/952902994.db2.gz OKILHWKBZZJOLI-STQMWFEESA-N -1 1 381.444 1.091 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CC[C@H](C)[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571186568 952906573 /nfs/dbraw/zinc/90/65/73/952906573.db2.gz XIWAXXSCPAAUOY-AAEUAGOBSA-N -1 1 381.444 1.504 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CC[C@H](C)[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571186568 952906579 /nfs/dbraw/zinc/90/65/79/952906579.db2.gz XIWAXXSCPAAUOY-AAEUAGOBSA-N -1 1 381.444 1.504 20 0 GDADMM Cc1c(C(=O)N2CC[C@H]([C@@H](C)Nc3ccc(-c4nnn[n-]4)nn3)C2)ccn1C ZINC001571186623 952907921 /nfs/dbraw/zinc/90/79/21/952907921.db2.gz YSPNUSHLPQZWPM-YPMHNXCESA-N -1 1 381.444 1.266 20 0 GDADMM Cc1c(C(=O)N2CC[C@H]([C@@H](C)Nc3ccc(-c4nn[n-]n4)nn3)C2)ccn1C ZINC001571186623 952907925 /nfs/dbraw/zinc/90/79/25/952907925.db2.gz YSPNUSHLPQZWPM-YPMHNXCESA-N -1 1 381.444 1.266 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@H](N(C)c3cnc(-c4nnn[n-]4)cn3)C2)c(C)[nH]1 ZINC001571188534 952916113 /nfs/dbraw/zinc/91/61/13/952916113.db2.gz KYNWXNXTQGARLB-ZDUSSCGKSA-N -1 1 381.444 1.343 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@H](N(C)c3cnc(-c4nn[n-]n4)cn3)C2)c(C)[nH]1 ZINC001571188534 952916118 /nfs/dbraw/zinc/91/61/18/952916118.db2.gz KYNWXNXTQGARLB-ZDUSSCGKSA-N -1 1 381.444 1.343 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CC[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)c(C)[nH]1 ZINC001571189243 952926569 /nfs/dbraw/zinc/92/65/69/952926569.db2.gz TZBGMSMUYQJXJU-CHWSQXEVSA-N -1 1 381.444 1.612 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CC[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)c(C)[nH]1 ZINC001571189243 952926576 /nfs/dbraw/zinc/92/65/76/952926576.db2.gz TZBGMSMUYQJXJU-CHWSQXEVSA-N -1 1 381.444 1.612 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)ccc1F ZINC001571195717 952977690 /nfs/dbraw/zinc/97/76/90/952977690.db2.gz FFGYRUWNHLPGNG-ZDUSSCGKSA-N -1 1 382.403 1.821 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)ccc1F ZINC001571195717 952977693 /nfs/dbraw/zinc/97/76/93/952977693.db2.gz FFGYRUWNHLPGNG-ZDUSSCGKSA-N -1 1 382.403 1.821 20 0 GDADMM Cc1ccc(C(=O)NC[C@H]2CCCN2c2nccnc2-c2nnn[n-]2)cc1F ZINC001571195718 952977772 /nfs/dbraw/zinc/97/77/72/952977772.db2.gz FFSBQELSUHGYLN-CYBMUJFWSA-N -1 1 382.403 1.503 20 0 GDADMM Cc1ccc(C(=O)NC[C@H]2CCCN2c2nccnc2-c2nn[n-]n2)cc1F ZINC001571195718 952977774 /nfs/dbraw/zinc/97/77/74/952977774.db2.gz FFSBQELSUHGYLN-CYBMUJFWSA-N -1 1 382.403 1.503 20 0 GDADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)Cc2cccc(F)c2)C1 ZINC001571196165 952980171 /nfs/dbraw/zinc/98/01/71/952980171.db2.gz IECXAMAJOWVJHG-CQSZACIVSA-N -1 1 382.403 1.076 20 0 GDADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)Cc2cccc(F)c2)C1 ZINC001571196165 952980174 /nfs/dbraw/zinc/98/01/74/952980174.db2.gz IECXAMAJOWVJHG-CQSZACIVSA-N -1 1 382.403 1.076 20 0 GDADMM Cc1cc(F)cc(C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571196079 952980298 /nfs/dbraw/zinc/98/02/98/952980298.db2.gz HEXFMZAAGSBZJQ-IAQYHMDHSA-N -1 1 382.403 1.677 20 0 GDADMM Cc1cc(F)cc(C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571196079 952980300 /nfs/dbraw/zinc/98/03/00/952980300.db2.gz HEXFMZAAGSBZJQ-IAQYHMDHSA-N -1 1 382.403 1.677 20 0 GDADMM Cc1c(F)cccc1C(=O)NC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571196392 952981305 /nfs/dbraw/zinc/98/13/05/952981305.db2.gz KEVSWFXTHFMBOX-GFCCVEGCSA-N -1 1 382.403 1.361 20 0 GDADMM Cc1c(F)cccc1C(=O)NC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571196392 952981312 /nfs/dbraw/zinc/98/13/12/952981312.db2.gz KEVSWFXTHFMBOX-GFCCVEGCSA-N -1 1 382.403 1.361 20 0 GDADMM Cc1cc(F)cc(C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571196793 952985054 /nfs/dbraw/zinc/98/50/54/952985054.db2.gz NZLRNAIWHHYRIS-AWEZNQCLSA-N -1 1 382.403 1.503 20 0 GDADMM Cc1cc(F)cc(C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571196793 952985057 /nfs/dbraw/zinc/98/50/57/952985057.db2.gz NZLRNAIWHHYRIS-AWEZNQCLSA-N -1 1 382.403 1.503 20 0 GDADMM C[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccc(F)cc1 ZINC001571197300 952988616 /nfs/dbraw/zinc/98/86/16/952988616.db2.gz VWARDTVHVUGUAL-FZMZJTMJSA-N -1 1 382.403 1.901 20 0 GDADMM C[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccc(F)cc1 ZINC001571197300 952988618 /nfs/dbraw/zinc/98/86/18/952988618.db2.gz VWARDTVHVUGUAL-FZMZJTMJSA-N -1 1 382.403 1.901 20 0 GDADMM CN(CCC1CCN(C(=O)c2ccoc2)CC1)c1cncc(-c2nnn[n-]2)n1 ZINC001571199692 953003363 /nfs/dbraw/zinc/00/33/63/953003363.db2.gz ZLDOVKMFCPWPHW-UHFFFAOYSA-N -1 1 382.428 1.628 20 0 GDADMM CN(CCC1CCN(C(=O)c2ccoc2)CC1)c1cncc(-c2nn[n-]n2)n1 ZINC001571199692 953003366 /nfs/dbraw/zinc/00/33/66/953003366.db2.gz ZLDOVKMFCPWPHW-UHFFFAOYSA-N -1 1 382.428 1.628 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N(C)[C@H]2CCN(C(=O)c3occc3C)C2)n1 ZINC001571199631 953003444 /nfs/dbraw/zinc/00/34/44/953003444.db2.gz WZSZPJQAKFONMW-LBPRGKRZSA-N -1 1 382.428 1.471 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N(C)[C@H]2CCN(C(=O)c3occc3C)C2)n1 ZINC001571199631 953003446 /nfs/dbraw/zinc/00/34/46/953003446.db2.gz WZSZPJQAKFONMW-LBPRGKRZSA-N -1 1 382.428 1.471 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571200009 953006707 /nfs/dbraw/zinc/00/67/07/953006707.db2.gz HFVVIWKVYMACEW-STQMWFEESA-N -1 1 382.428 1.531 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571200009 953006710 /nfs/dbraw/zinc/00/67/10/953006710.db2.gz HFVVIWKVYMACEW-STQMWFEESA-N -1 1 382.428 1.531 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)c(C)o1 ZINC001571200167 953007602 /nfs/dbraw/zinc/00/76/02/953007602.db2.gz BGCWXCXHCUGGSQ-OLZOCXBDSA-N -1 1 382.428 1.877 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)c(C)o1 ZINC001571200167 953007607 /nfs/dbraw/zinc/00/76/07/953007607.db2.gz BGCWXCXHCUGGSQ-OLZOCXBDSA-N -1 1 382.428 1.877 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H](C)[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)o1 ZINC001571200553 953009739 /nfs/dbraw/zinc/00/97/39/953009739.db2.gz DKSRGKBMOITERW-YPMHNXCESA-N -1 1 382.428 1.768 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H](C)[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)o1 ZINC001571200553 953009741 /nfs/dbraw/zinc/00/97/41/953009741.db2.gz DKSRGKBMOITERW-YPMHNXCESA-N -1 1 382.428 1.768 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H](C)[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)o1 ZINC001571200550 953010109 /nfs/dbraw/zinc/01/01/09/953010109.db2.gz DKSRGKBMOITERW-AAEUAGOBSA-N -1 1 382.428 1.768 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H](C)[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)o1 ZINC001571200550 953010113 /nfs/dbraw/zinc/01/01/13/953010113.db2.gz DKSRGKBMOITERW-AAEUAGOBSA-N -1 1 382.428 1.768 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)Cc3ccco3)C[C@H]2C)n1 ZINC001571200575 953010858 /nfs/dbraw/zinc/01/08/58/953010858.db2.gz DXOJOZDTPDKBNW-RISCZKNCSA-N -1 1 382.428 1.450 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)Cc3ccco3)C[C@H]2C)n1 ZINC001571200575 953010861 /nfs/dbraw/zinc/01/08/61/953010861.db2.gz DXOJOZDTPDKBNW-RISCZKNCSA-N -1 1 382.428 1.450 20 0 GDADMM C[C@@H]1CCCN(C(=O)Cc2ccco2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571201137 953015487 /nfs/dbraw/zinc/01/54/87/953015487.db2.gz NOGUOOLHFUUTJE-IUODEOHRSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@@H]1CCCN(C(=O)Cc2ccco2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571201137 953015493 /nfs/dbraw/zinc/01/54/93/953015493.db2.gz NOGUOOLHFUUTJE-IUODEOHRSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@H](C(=O)N1CCC(C)(Nc2cnc(-c3nnn[n-]3)cn2)CC1)c1ccco1 ZINC001571201172 953016306 /nfs/dbraw/zinc/01/63/06/953016306.db2.gz OXSDWVUQJTYMMI-LBPRGKRZSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@H](C(=O)N1CCC(C)(Nc2cnc(-c3nn[n-]n3)cn2)CC1)c1ccco1 ZINC001571201172 953016310 /nfs/dbraw/zinc/01/63/10/953016310.db2.gz OXSDWVUQJTYMMI-LBPRGKRZSA-N -1 1 382.428 1.846 20 0 GDADMM Cc1oc(C)c(C(=O)N[C@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)c1C ZINC001571201925 953021214 /nfs/dbraw/zinc/02/12/14/953021214.db2.gz PGQQSCNFNNBQDT-ZDUSSCGKSA-N -1 1 382.428 1.492 20 0 GDADMM Cc1oc(C)c(C(=O)N[C@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)c1C ZINC001571201925 953021217 /nfs/dbraw/zinc/02/12/17/953021217.db2.gz PGQQSCNFNNBQDT-ZDUSSCGKSA-N -1 1 382.428 1.492 20 0 GDADMM O=S1(=O)CC[C@H](Cc2nnc(SCc3ccc(-c4nnn[n-]4)o3)o2)C1 ZINC001571202021 953021772 /nfs/dbraw/zinc/02/17/72/953021772.db2.gz ULRVWDJXEPNJRK-MRVPVSSYSA-N -1 1 382.427 1.112 20 0 GDADMM O=S1(=O)CC[C@H](Cc2nnc(SCc3ccc(-c4nn[n-]n4)o3)o2)C1 ZINC001571202021 953021774 /nfs/dbraw/zinc/02/17/74/953021774.db2.gz ULRVWDJXEPNJRK-MRVPVSSYSA-N -1 1 382.427 1.112 20 0 GDADMM Cc1ccoc1C(=O)N1CCCCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571201960 953021877 /nfs/dbraw/zinc/02/18/77/953021877.db2.gz POOMOGHPIHCUJH-ZDUSSCGKSA-N -1 1 382.428 1.477 20 0 GDADMM Cc1ccoc1C(=O)N1CCC[C@@H](CN(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571202151 953023141 /nfs/dbraw/zinc/02/31/41/953023141.db2.gz REIFZNSBJCTGGG-ZDUSSCGKSA-N -1 1 382.428 1.547 20 0 GDADMM Cc1ccoc1C(=O)N1CCC[C@@H](CN(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571202151 953023144 /nfs/dbraw/zinc/02/31/44/953023144.db2.gz REIFZNSBJCTGGG-ZDUSSCGKSA-N -1 1 382.428 1.547 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCCN2C(=O)[C@H](C)c2ccco2)n1 ZINC001571202227 953024504 /nfs/dbraw/zinc/02/45/04/953024504.db2.gz RXSANUCUBTZRJE-CHWSQXEVSA-N -1 1 382.428 1.765 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCCN2C(=O)[C@H](C)c2ccco2)n1 ZINC001571202227 953024509 /nfs/dbraw/zinc/02/45/09/953024509.db2.gz RXSANUCUBTZRJE-CHWSQXEVSA-N -1 1 382.428 1.765 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@H](CN(C)c3cncc(-c4nnn[n-]4)n3)C2)co1 ZINC001571202783 953028554 /nfs/dbraw/zinc/02/85/54/953028554.db2.gz YRBSQNSPAKTNLE-CYBMUJFWSA-N -1 1 382.428 1.547 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@H](CN(C)c3cncc(-c4nn[n-]n4)n3)C2)co1 ZINC001571202783 953028558 /nfs/dbraw/zinc/02/85/58/953028558.db2.gz YRBSQNSPAKTNLE-CYBMUJFWSA-N -1 1 382.428 1.547 20 0 GDADMM CC[C@H](C)n1nccc1C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571205682 953041179 /nfs/dbraw/zinc/04/11/79/953041179.db2.gz MXGJVXDXHKPCEA-NWDGAFQWSA-N -1 1 382.432 1.151 20 0 GDADMM CC[C@H](C)n1nccc1C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571205682 953041183 /nfs/dbraw/zinc/04/11/83/953041183.db2.gz MXGJVXDXHKPCEA-NWDGAFQWSA-N -1 1 382.432 1.151 20 0 GDADMM CCn1cnc(C(=O)N[C@@H]2CCC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571206383 953050499 /nfs/dbraw/zinc/05/04/99/953050499.db2.gz FUFJSNNVEHRPMO-VXGBXAGGSA-N -1 1 382.432 1.026 20 0 GDADMM CCn1cnc(C(=O)N[C@@H]2CCC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571206383 953050500 /nfs/dbraw/zinc/05/05/00/953050500.db2.gz FUFJSNNVEHRPMO-VXGBXAGGSA-N -1 1 382.432 1.026 20 0 GDADMM Cc1oc(C)c(C(=O)N2CC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)c1C ZINC001571206490 953052091 /nfs/dbraw/zinc/05/20/91/953052091.db2.gz QFTLPUCNCUJGRL-CYBMUJFWSA-N -1 1 382.428 1.749 20 0 GDADMM Cc1oc(C)c(C(=O)N2CC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)c1C ZINC001571206490 953052093 /nfs/dbraw/zinc/05/20/93/953052093.db2.gz QFTLPUCNCUJGRL-CYBMUJFWSA-N -1 1 382.428 1.749 20 0 GDADMM Cc1nc[nH]c1C(=O)N[C@@H]1CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571207183 953059819 /nfs/dbraw/zinc/05/98/19/953059819.db2.gz OLEOHZHXVZJZBZ-NWDGAFQWSA-N -1 1 382.432 1.089 20 0 GDADMM Cc1nc[nH]c1C(=O)N[C@@H]1CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571207183 953059821 /nfs/dbraw/zinc/05/98/21/953059821.db2.gz OLEOHZHXVZJZBZ-NWDGAFQWSA-N -1 1 382.432 1.089 20 0 GDADMM CC(C)(C(=O)N1CCC[C@@H]2[C@H]1CCN2c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001571211512 953077039 /nfs/dbraw/zinc/07/70/39/953077039.db2.gz AGLJRJYDWOCZLT-HUUCEWRRSA-N -1 1 382.472 1.663 20 0 GDADMM CC(C)(C(=O)N1CCC[C@@H]2[C@H]1CCN2c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001571211512 953077043 /nfs/dbraw/zinc/07/70/43/953077043.db2.gz AGLJRJYDWOCZLT-HUUCEWRRSA-N -1 1 382.472 1.663 20 0 GDADMM CN(C[C@@H]1CCCN(C(=O)[C@@H]2CC23CCC3)C1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571211540 953077178 /nfs/dbraw/zinc/07/71/78/953077178.db2.gz BBWBBDXLKNOTBB-KBPBESRZSA-N -1 1 382.472 1.522 20 0 GDADMM CN(C[C@@H]1CCCN(C(=O)[C@@H]2CC23CCC3)C1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571211540 953077182 /nfs/dbraw/zinc/07/71/82/953077182.db2.gz BBWBBDXLKNOTBB-KBPBESRZSA-N -1 1 382.472 1.522 20 0 GDADMM CC(C)(C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001571211510 953077568 /nfs/dbraw/zinc/07/75/68/953077568.db2.gz AGLJRJYDWOCZLT-CABCVRRESA-N -1 1 382.472 1.663 20 0 GDADMM CC(C)(C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001571211510 953077571 /nfs/dbraw/zinc/07/75/71/953077571.db2.gz AGLJRJYDWOCZLT-CABCVRRESA-N -1 1 382.472 1.663 20 0 GDADMM CC1(C(=O)N2CC[C@]3(C2)CCCN(c2ccnc(-c4nn[n-]n4)n2)C3)CCC1 ZINC001571211793 953082104 /nfs/dbraw/zinc/08/21/04/953082104.db2.gz GSJGSEUYWKVBBT-LJQANCHMSA-N -1 1 382.472 1.666 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2C2CC2)n1 ZINC001571212059 953083663 /nfs/dbraw/zinc/08/36/63/953083663.db2.gz IDBWTUZOOLEXDQ-SOUVJXGZSA-N -1 1 382.472 1.804 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2C2CC2)n1 ZINC001571212059 953083669 /nfs/dbraw/zinc/08/36/69/953083669.db2.gz IDBWTUZOOLEXDQ-SOUVJXGZSA-N -1 1 382.472 1.804 20 0 GDADMM CC1(C(=O)N2CC[C@@H]3[C@@H](CCN3c3cnc(-c4nnn[n-]4)cn3)C2)CCCC1 ZINC001571212080 953084222 /nfs/dbraw/zinc/08/42/22/953084222.db2.gz IPCVYAMBTGPXQO-DZGCQCFKSA-N -1 1 382.472 1.664 20 0 GDADMM CC1(C(=O)N2CC[C@@H]3[C@@H](CCN3c3cnc(-c4nn[n-]n4)cn3)C2)CCCC1 ZINC001571212080 953084227 /nfs/dbraw/zinc/08/42/27/953084227.db2.gz IPCVYAMBTGPXQO-DZGCQCFKSA-N -1 1 382.472 1.664 20 0 GDADMM CN(C(=O)[C@H]1CC2CCC1CC2)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571212599 953089098 /nfs/dbraw/zinc/08/90/98/953089098.db2.gz NKRIKEXQWQHBSH-WUCCLRPBSA-N -1 1 382.472 1.520 20 0 GDADMM CN(C(=O)[C@H]1CC2CCC1CC2)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571212599 953089100 /nfs/dbraw/zinc/08/91/00/953089100.db2.gz NKRIKEXQWQHBSH-WUCCLRPBSA-N -1 1 382.472 1.520 20 0 GDADMM C[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)C1(C2CCC2)CCC1 ZINC001571212919 953091126 /nfs/dbraw/zinc/09/11/26/953091126.db2.gz OCNVPDAPDOMKPQ-TZMCWYRMSA-N -1 1 382.472 1.568 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCN(C(=O)[C@@H]3CCC[C@@H]4C[C@@H]43)CC2)n1 ZINC001571212992 953092491 /nfs/dbraw/zinc/09/24/91/953092491.db2.gz PGDQEBGKWZSYKS-MCIONIFRSA-N -1 1 382.472 1.304 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCN(C(=O)[C@@H]3CCC[C@@H]4C[C@@H]43)CC2)n1 ZINC001571212992 953092493 /nfs/dbraw/zinc/09/24/93/953092493.db2.gz PGDQEBGKWZSYKS-MCIONIFRSA-N -1 1 382.472 1.304 20 0 GDADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@H]1CCCN(C(=O)C(C2CC2)C2CC2)C1 ZINC001571213232 953093209 /nfs/dbraw/zinc/09/32/09/953093209.db2.gz PXGGAYCAOOSNTP-AWEZNQCLSA-N -1 1 382.472 1.520 20 0 GDADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@H]1CCCN(C(=O)C(C2CC2)C2CC2)C1 ZINC001571213232 953093211 /nfs/dbraw/zinc/09/32/11/953093211.db2.gz PXGGAYCAOOSNTP-AWEZNQCLSA-N -1 1 382.472 1.520 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001571213255 953094600 /nfs/dbraw/zinc/09/46/00/953094600.db2.gz QKPNMUPXBJYJEI-AEGPPILISA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001571213255 953094603 /nfs/dbraw/zinc/09/46/03/953094603.db2.gz QKPNMUPXBJYJEI-AEGPPILISA-N -1 1 382.472 1.663 20 0 GDADMM CN(C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CCC2)C1)c1cncc(-c2nnn[n-]2)n1 ZINC001571213644 953096721 /nfs/dbraw/zinc/09/67/21/953096721.db2.gz SPBOSFNMRZDFDZ-VHDGCEQUSA-N -1 1 382.472 1.378 20 0 GDADMM CN(C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CCC2)C1)c1cncc(-c2nn[n-]n2)n1 ZINC001571213644 953096726 /nfs/dbraw/zinc/09/67/26/953096726.db2.gz SPBOSFNMRZDFDZ-VHDGCEQUSA-N -1 1 382.472 1.378 20 0 GDADMM CCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001571213632 953096760 /nfs/dbraw/zinc/09/67/60/953096760.db2.gz SLJKDNRGZBBGRE-WDNDVIMCSA-N -1 1 382.472 1.308 20 0 GDADMM CC1(C)CC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(c2ccnc(-c4nn[n-]n4)n2)C3)C1 ZINC001571214442 953101763 /nfs/dbraw/zinc/10/17/63/953101763.db2.gz YRFVLZRWELMASS-UBHSHLNASA-N -1 1 382.472 1.566 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCN(C(=O)C34CCC(CC3)C4)C2)n1 ZINC001571214422 953101981 /nfs/dbraw/zinc/10/19/81/953101981.db2.gz YNEMXAHRHLZAFM-BIWSTMPVSA-N -1 1 382.472 1.806 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCN(C(=O)C34CCC(CC3)C4)C2)n1 ZINC001571214422 953101987 /nfs/dbraw/zinc/10/19/87/953101987.db2.gz YNEMXAHRHLZAFM-BIWSTMPVSA-N -1 1 382.472 1.806 20 0 GDADMM C[C@H]1CN(C(=O)C2CC3(CCC3)C2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571214494 953102450 /nfs/dbraw/zinc/10/24/50/953102450.db2.gz ZYLJSNWQXIKIPK-JSGCOSHPSA-N -1 1 382.472 1.165 20 0 GDADMM O=C(CC1CC1)N1CCC[C@H]([C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571217240 953106588 /nfs/dbraw/zinc/10/65/88/953106588.db2.gz CWTLROYAQSTJCA-LSDHHAIUSA-N -1 1 382.472 1.522 20 0 GDADMM O=C(CC1CC1)N1CCC[C@H]([C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571217240 953106590 /nfs/dbraw/zinc/10/65/90/953106590.db2.gz CWTLROYAQSTJCA-LSDHHAIUSA-N -1 1 382.472 1.522 20 0 GDADMM O=C(c1nccs1)N1CC[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571218500 953115822 /nfs/dbraw/zinc/11/58/22/953115822.db2.gz PJCDOPCFTSPADC-LURJTMIESA-N -1 1 382.862 1.760 20 0 GDADMM O=C(c1nccs1)N1CC[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571218500 953115827 /nfs/dbraw/zinc/11/58/27/953115827.db2.gz PJCDOPCFTSPADC-LURJTMIESA-N -1 1 382.862 1.760 20 0 GDADMM O=C(CCC1CCC1)N1CC[C@H]2[C@H](CCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001571218840 953119769 /nfs/dbraw/zinc/11/97/69/953119769.db2.gz RXGWQKSLTHJFAI-CABCVRRESA-N -1 1 382.472 1.664 20 0 GDADMM O=C(CCC1CCC1)N1CC[C@H]2[C@H](CCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001571218840 953119772 /nfs/dbraw/zinc/11/97/72/953119772.db2.gz RXGWQKSLTHJFAI-CABCVRRESA-N -1 1 382.472 1.664 20 0 GDADMM O=C(c1cc(F)c[nH]1)N1CCC[C@H]2[C@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001571218929 953120706 /nfs/dbraw/zinc/12/07/06/953120706.db2.gz HJSGQIXMGNDZEK-QWHCGFSZSA-N -1 1 383.391 1.007 20 0 GDADMM O=C(CC1CCC1)N1CCC[C@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571218887 953121039 /nfs/dbraw/zinc/12/10/39/953121039.db2.gz SGLVHIRDMCAWTE-LJQANCHMSA-N -1 1 382.472 1.666 20 0 GDADMM O=C(CC1CCC1)N1CCC[C@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571218887 953121043 /nfs/dbraw/zinc/12/10/43/953121043.db2.gz SGLVHIRDMCAWTE-LJQANCHMSA-N -1 1 382.472 1.666 20 0 GDADMM O=C(C(C1CC1)C1CC1)N1CCC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571219066 953122503 /nfs/dbraw/zinc/12/25/03/953122503.db2.gz UHUBPLWBRYNWBU-LBPRGKRZSA-N -1 1 382.472 1.165 20 0 GDADMM O=C([C@H]1CCCC2(CC2)C1)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571219090 953122594 /nfs/dbraw/zinc/12/25/94/953122594.db2.gz VBQYDVUSYNEMOV-KBPBESRZSA-N -1 1 382.472 1.888 20 0 GDADMM O=C([C@H]1CCCC2(CC2)C1)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571219090 953122597 /nfs/dbraw/zinc/12/25/97/953122597.db2.gz VBQYDVUSYNEMOV-KBPBESRZSA-N -1 1 382.472 1.888 20 0 GDADMM COc1ccc(OC(F)(F)F)c(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC001571219312 953124907 /nfs/dbraw/zinc/12/49/07/953124907.db2.gz WYRANHQSZQQIGJ-UHFFFAOYSA-N -1 1 383.290 1.760 20 0 GDADMM COc1ccc(OC(F)(F)F)c(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC001571219312 953124908 /nfs/dbraw/zinc/12/49/08/953124908.db2.gz WYRANHQSZQQIGJ-UHFFFAOYSA-N -1 1 383.290 1.760 20 0 GDADMM O=C([C@H]1CC[C@@H]2C[C@@H]2CC1)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571219399 953125564 /nfs/dbraw/zinc/12/55/64/953125564.db2.gz YYDLYUGQDYBUOX-BTTYYORXSA-N -1 1 382.472 1.886 20 0 GDADMM O=C([C@H]1CC[C@@H]2C[C@@H]2CC1)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571219399 953125566 /nfs/dbraw/zinc/12/55/66/953125566.db2.gz YYDLYUGQDYBUOX-BTTYYORXSA-N -1 1 382.472 1.886 20 0 GDADMM O=C(N[C@@H]1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1cncc(F)c1 ZINC001571219691 953126669 /nfs/dbraw/zinc/12/66/69/953126669.db2.gz QDAACDDNKWHCQW-ZWNOBZJWSA-N -1 1 383.391 1.201 20 0 GDADMM O=C(N[C@@H]1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1cncc(F)c1 ZINC001571219691 953126670 /nfs/dbraw/zinc/12/66/70/953126670.db2.gz QDAACDDNKWHCQW-ZWNOBZJWSA-N -1 1 383.391 1.201 20 0 GDADMM O=C(N[C@@H]1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1)c1cncc(F)c1 ZINC001571219762 953127516 /nfs/dbraw/zinc/12/75/16/953127516.db2.gz SDEOIKBFEKTRER-GXFFZTMASA-N -1 1 383.391 1.201 20 0 GDADMM O=C(N[C@@H]1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1)c1cncc(F)c1 ZINC001571219762 953127518 /nfs/dbraw/zinc/12/75/18/953127518.db2.gz SDEOIKBFEKTRER-GXFFZTMASA-N -1 1 383.391 1.201 20 0 GDADMM CCCc1nc(C)c(C(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)o1 ZINC001571223211 953142416 /nfs/dbraw/zinc/14/24/16/953142416.db2.gz PXMNUGPAKAWYIO-NSHDSACASA-N -1 1 383.416 1.232 20 0 GDADMM CCCc1nc(C)c(C(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)o1 ZINC001571223211 953142419 /nfs/dbraw/zinc/14/24/19/953142419.db2.gz PXMNUGPAKAWYIO-NSHDSACASA-N -1 1 383.416 1.232 20 0 GDADMM CCc1ocnc1C(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001571223278 953143658 /nfs/dbraw/zinc/14/36/58/953143658.db2.gz SEJOQDLDCBBDTQ-WDEREUQCSA-N -1 1 383.416 1.231 20 0 GDADMM CCc1ocnc1C(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001571223278 953143660 /nfs/dbraw/zinc/14/36/60/953143660.db2.gz SEJOQDLDCBBDTQ-WDEREUQCSA-N -1 1 383.416 1.231 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H]([C@H](C)Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)on1 ZINC001571224935 953152229 /nfs/dbraw/zinc/15/22/29/953152229.db2.gz GZHGNKSGNDKVQA-RYUDHWBXSA-N -1 1 383.416 1.224 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H]([C@H](C)Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)on1 ZINC001571224935 953152231 /nfs/dbraw/zinc/15/22/31/953152231.db2.gz GZHGNKSGNDKVQA-RYUDHWBXSA-N -1 1 383.416 1.224 20 0 GDADMM Cc1nc(C(=O)N2CCC[C@@H](CCNc3cnc(-c4nnn[n-]4)cn3)C2)co1 ZINC001571225582 953152980 /nfs/dbraw/zinc/15/29/80/953152980.db2.gz KFXSMJVNFWRKAA-LBPRGKRZSA-N -1 1 383.416 1.308 20 0 GDADMM Cc1nc(C(=O)N2CCC[C@@H](CCNc3cnc(-c4nn[n-]n4)cn3)C2)co1 ZINC001571225582 953152982 /nfs/dbraw/zinc/15/29/82/953152982.db2.gz KFXSMJVNFWRKAA-LBPRGKRZSA-N -1 1 383.416 1.308 20 0 GDADMM Cc1conc1C(=O)N1CCC[C@@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571225590 953153564 /nfs/dbraw/zinc/15/35/64/953153564.db2.gz KRRVILSCJZCDRE-VXGBXAGGSA-N -1 1 383.416 1.306 20 0 GDADMM Cc1conc1C(=O)N1CCC[C@@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571225590 953153567 /nfs/dbraw/zinc/15/35/67/953153567.db2.gz KRRVILSCJZCDRE-VXGBXAGGSA-N -1 1 383.416 1.306 20 0 GDADMM Cc1conc1C(=O)N1CCCC[C@@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001571225940 953154529 /nfs/dbraw/zinc/15/45/29/953154529.db2.gz OQIOXBNKEMZEAX-GFCCVEGCSA-N -1 1 383.416 1.450 20 0 GDADMM Cc1conc1C(=O)N1CCCC[C@@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001571225940 953154532 /nfs/dbraw/zinc/15/45/32/953154532.db2.gz OQIOXBNKEMZEAX-GFCCVEGCSA-N -1 1 383.416 1.450 20 0 GDADMM Cc1conc1C(=O)NC[C@H]1CCCCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571226627 953156291 /nfs/dbraw/zinc/15/62/91/953156291.db2.gz UEWDIMMALRRZRU-GFCCVEGCSA-N -1 1 383.416 1.132 20 0 GDADMM Cc1conc1C(=O)NC[C@H]1CCCCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571226627 953156294 /nfs/dbraw/zinc/15/62/94/953156294.db2.gz UEWDIMMALRRZRU-GFCCVEGCSA-N -1 1 383.416 1.132 20 0 GDADMM Cc1nc(C(=O)N2C[C@H](C)[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)c(C)o1 ZINC001571226458 953156363 /nfs/dbraw/zinc/15/63/63/953156363.db2.gz RDNNJVGVVKFJNF-ISVAXAHUSA-N -1 1 383.416 1.143 20 0 GDADMM Cc1nc(C(=O)N2C[C@H](C)[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)c(C)o1 ZINC001571226458 953156367 /nfs/dbraw/zinc/15/63/67/953156367.db2.gz RDNNJVGVVKFJNF-ISVAXAHUSA-N -1 1 383.416 1.143 20 0 GDADMM O=C([C@H]1CCCO1)N1CCCN(c2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001571234522 953202916 /nfs/dbraw/zinc/20/29/16/953202916.db2.gz ANZSTCVKPIPZJM-SECBINFHSA-N -1 1 383.865 1.194 20 0 GDADMM CC(=O)N1C[C@H](C)O[C@]2(CCN(c3nc(-c4nn[n-]n4)c(Cl)s3)C2)C1 ZINC001571234890 953206935 /nfs/dbraw/zinc/20/69/35/953206935.db2.gz LVZKLNUJUZPBNM-RTHLEPHNSA-N -1 1 383.865 1.193 20 0 GDADMM O=C([C@H]1CCOC1)N1CCC[C@H]1CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001571235268 953210823 /nfs/dbraw/zinc/21/08/23/953210823.db2.gz YPFRYPNCBFXARN-IUCAKERBSA-N -1 1 383.865 1.416 20 0 GDADMM COc1ccc([C@@H](CCO)NC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)cc1 ZINC001571235701 953215115 /nfs/dbraw/zinc/21/51/15/953215115.db2.gz NXVOBIUYWLZAEU-CQSZACIVSA-N -1 1 384.396 1.138 20 0 GDADMM CCc1sc(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)cc1C ZINC001571244828 953267231 /nfs/dbraw/zinc/26/72/31/953267231.db2.gz JVUQEBMQMUQWBY-NSHDSACASA-N -1 1 384.469 1.916 20 0 GDADMM CCc1sc(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)cc1C ZINC001571244828 953267238 /nfs/dbraw/zinc/26/72/38/953267238.db2.gz JVUQEBMQMUQWBY-NSHDSACASA-N -1 1 384.469 1.916 20 0 GDADMM CN(C(=O)c1ccsc1)C1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571244915 953267972 /nfs/dbraw/zinc/26/79/72/953267972.db2.gz MAEVUGIKKGASTC-UHFFFAOYSA-N -1 1 384.469 1.635 20 0 GDADMM Cc1csc(C(=O)N[C@@]2(C)CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)c1 ZINC001571244879 953268524 /nfs/dbraw/zinc/26/85/24/953268524.db2.gz KZDIXAUVKFKEMR-KRWDZBQOSA-N -1 1 384.469 1.734 20 0 GDADMM Cc1csc(C(=O)N[C@@]2(C)CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)c1 ZINC001571244879 953268529 /nfs/dbraw/zinc/26/85/29/953268529.db2.gz KZDIXAUVKFKEMR-KRWDZBQOSA-N -1 1 384.469 1.734 20 0 GDADMM Cc1nsc(NCC2CC(NC(=O)c3ncccc3C)C2)c1-c1nn[n-]n1 ZINC001571244892 953268686 /nfs/dbraw/zinc/26/86/86/953268686.db2.gz LJBGXQCZNNSROA-UHFFFAOYSA-N -1 1 384.469 1.956 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1)c1cccs1 ZINC001571245088 953269759 /nfs/dbraw/zinc/26/97/59/953269759.db2.gz DHOVDIATVGIFPX-RYUDHWBXSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1)c1cccs1 ZINC001571245088 953269762 /nfs/dbraw/zinc/26/97/62/953269762.db2.gz DHOVDIATVGIFPX-RYUDHWBXSA-N -1 1 384.469 1.559 20 0 GDADMM Cc1cc(C(=O)NC2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)c(C)s1 ZINC001571245053 953269929 /nfs/dbraw/zinc/26/99/29/953269929.db2.gz MYLUIIDYRCKNJF-UHFFFAOYSA-N -1 1 384.469 1.734 20 0 GDADMM Cc1cc(C(=O)NC2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)c(C)s1 ZINC001571245053 953269933 /nfs/dbraw/zinc/26/99/33/953269933.db2.gz MYLUIIDYRCKNJF-UHFFFAOYSA-N -1 1 384.469 1.734 20 0 GDADMM Cc1cscc1C(=O)N1C[C@@H](CNc2nccnc2-c2nnn[n-]2)[C@H](C)C1 ZINC001571245503 953273782 /nfs/dbraw/zinc/27/37/82/953273782.db2.gz SQNWTOWEHFRWGT-ZYHUDNBSSA-N -1 1 384.469 1.847 20 0 GDADMM Cc1cscc1C(=O)N1C[C@@H](CNc2nccnc2-c2nn[n-]n2)[C@H](C)C1 ZINC001571245503 953273784 /nfs/dbraw/zinc/27/37/84/953273784.db2.gz SQNWTOWEHFRWGT-ZYHUDNBSSA-N -1 1 384.469 1.847 20 0 GDADMM O=C(CCc1cccs1)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571248251 953291475 /nfs/dbraw/zinc/29/14/75/953291475.db2.gz ONDZRKNXTSCLOQ-LBPRGKRZSA-N -1 1 384.469 1.754 20 0 GDADMM O=C(CCc1cccs1)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571248251 953291477 /nfs/dbraw/zinc/29/14/77/953291477.db2.gz ONDZRKNXTSCLOQ-LBPRGKRZSA-N -1 1 384.469 1.754 20 0 GDADMM CC1(C)CCN(C(=O)NCc2ccc(-c3nn[n-]n3)s2)CCS1(=O)=O ZINC001571249032 953299656 /nfs/dbraw/zinc/29/96/56/953299656.db2.gz BMOFKYDRQZVQII-UHFFFAOYSA-N -1 1 384.487 1.037 20 0 GDADMM C[C@@H]1CN(C(=O)CC2CCCCCC2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571249077 953300597 /nfs/dbraw/zinc/30/05/97/953300597.db2.gz CPNBDTLOLNGVMJ-HIFRSBDPSA-N -1 1 384.488 1.698 20 0 GDADMM C[C@]1(NC(=O)[C@@H]2CCCCC2(C)C)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571249182 953301602 /nfs/dbraw/zinc/30/16/02/953301602.db2.gz FNCWRXOOKAQNFM-DJJJIMSYSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@]1(NC(=O)[C@@H]2CCCCC2(C)C)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571249182 953301606 /nfs/dbraw/zinc/30/16/06/953301606.db2.gz FNCWRXOOKAQNFM-DJJJIMSYSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CC(=O)N1CCCC[C@H]1[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571249431 953305053 /nfs/dbraw/zinc/30/50/53/953305053.db2.gz JAZHYIROVKGTIY-CABCVRRESA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CC(=O)N1CCCC[C@H]1[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571249431 953305057 /nfs/dbraw/zinc/30/50/57/953305057.db2.gz JAZHYIROVKGTIY-CABCVRRESA-N -1 1 384.488 1.910 20 0 GDADMM CC1(C)CCC[C@@H]1C(=O)NC[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571249888 953307015 /nfs/dbraw/zinc/30/70/15/953307015.db2.gz MATUPLDXDKZIMS-ZIAGYGMSSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C)CCC[C@@H]1C(=O)NC[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571249888 953307017 /nfs/dbraw/zinc/30/70/17/953307017.db2.gz MATUPLDXDKZIMS-ZIAGYGMSSA-N -1 1 384.488 1.816 20 0 GDADMM CCC(C)(CC)C(=O)N1C[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571251494 953317510 /nfs/dbraw/zinc/31/75/10/953317510.db2.gz YTJAABYWJZIJBT-KGLIPLIRSA-N -1 1 384.488 1.768 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCN(C(=O)[C@H]3CCC(C)(C)C3)CC2)n1 ZINC001571251815 953321008 /nfs/dbraw/zinc/32/10/08/953321008.db2.gz AMJZYKQGGUQMGZ-ZDUSSCGKSA-N -1 1 384.488 1.694 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCN(C(=O)[C@H]3CCC(C)(C)C3)CC2)n1 ZINC001571251815 953321010 /nfs/dbraw/zinc/32/10/10/953321010.db2.gz AMJZYKQGGUQMGZ-ZDUSSCGKSA-N -1 1 384.488 1.694 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCN(C(=O)[C@]3(C)CCC[C@H]3C)CC2)n1 ZINC001571251888 953321294 /nfs/dbraw/zinc/32/12/94/953321294.db2.gz CETCLVYJAXUVHT-BFUOFWGJSA-N -1 1 384.488 1.830 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCN(C(=O)[C@]3(C)CCC[C@H]3C)CC2)n1 ZINC001571251888 953321297 /nfs/dbraw/zinc/32/12/97/953321297.db2.gz CETCLVYJAXUVHT-BFUOFWGJSA-N -1 1 384.488 1.830 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@H](CNC(=O)C3CCCC3)C2)n1 ZINC001571252017 953323216 /nfs/dbraw/zinc/32/32/16/953323216.db2.gz FLJHUIUMNFGECD-CYBMUJFWSA-N -1 1 384.488 1.742 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@H](CNC(=O)C3CCCC3)C2)n1 ZINC001571252017 953323220 /nfs/dbraw/zinc/32/32/20/953323220.db2.gz FLJHUIUMNFGECD-CYBMUJFWSA-N -1 1 384.488 1.742 20 0 GDADMM CC[C@H]1CC[C@H](C(=O)NC[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001571252478 953328886 /nfs/dbraw/zinc/32/88/86/953328886.db2.gz NNMAEDWSFHUGTN-KKUMJFAQSA-N -1 1 384.488 1.816 20 0 GDADMM CC[C@H]1CC[C@H](C(=O)NC[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571252478 953328889 /nfs/dbraw/zinc/32/88/89/953328889.db2.gz NNMAEDWSFHUGTN-KKUMJFAQSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)C[C@@H](CNC(=O)NCc1n[nH]c(COc2ccccc2)n1)C(=O)[O-] ZINC000424443522 953487318 /nfs/dbraw/zinc/48/73/18/953487318.db2.gz BEZXBGSTEUVCFM-ZDUSSCGKSA-N -1 1 375.429 1.930 20 0 GDADMM CC(=O)Nc1ccc(S(=O)(=O)CCCN2CC[C@@H](C)[C@H](C(=O)[O-])C2)cc1 ZINC000564968489 953607028 /nfs/dbraw/zinc/60/70/28/953607028.db2.gz WSWVKKPILMDDQA-CXAGYDPISA-N -1 1 382.482 1.851 20 0 GDADMM O=C([O-])c1cncc(NC(=O)N[C@]2(CO)CCCN(Cc3ccccc3)C2)c1 ZINC001594816156 953861560 /nfs/dbraw/zinc/86/15/60/953861560.db2.gz GAOARGDVCSQCLS-HXUWFJFHSA-N -1 1 384.436 1.928 20 0 GDADMM COC[C@@]1(C(=O)[O-])CCN(C(=O)NCC2(CN3CCOCC3)CCCCC2)C1 ZINC000635511789 953886029 /nfs/dbraw/zinc/88/60/29/953886029.db2.gz XRKSTRXKPQVFQB-HXUWFJFHSA-N -1 1 397.516 1.402 20 0 GDADMM O=C([O-])[C@H]1CC(=O)N(C2CCN(CCCn3c(=O)[nH]c4ccccc43)CC2)C1 ZINC000650498001 954013488 /nfs/dbraw/zinc/01/34/88/954013488.db2.gz CZBHQORPNQBPJG-AWEZNQCLSA-N -1 1 386.452 1.530 20 0 GDADMM O=C([O-])[C@@H](c1ccccc1)N1CC[C@@H](NCc2ccc3c(c2)OCCO3)C1=O ZINC001594844134 954116566 /nfs/dbraw/zinc/11/65/66/954116566.db2.gz LRTAQQGFPKMHSV-VQIMIIECSA-N -1 1 382.416 1.974 20 0 GDADMM CN(C)Cc1ccnc(NC(=O)N2C[C@H](C(=O)[O-])C[C@H](c3cnn(C)c3)C2)c1 ZINC001593703844 954143134 /nfs/dbraw/zinc/14/31/34/954143134.db2.gz ISJNNCZJBFTLPP-LSDHHAIUSA-N -1 1 386.456 1.599 20 0 GDADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655580652 954220042 /nfs/dbraw/zinc/22/00/42/954220042.db2.gz QGEUPKPJYKQXTF-MHDGFBEUSA-N -1 1 386.452 1.933 20 0 GDADMM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C[C@@H](O)c3ccc(Cl)c(F)c3)CC2)C1 ZINC001594898014 954587230 /nfs/dbraw/zinc/58/72/30/954587230.db2.gz FLINIOCMGFZGFY-MLGOLLRUSA-N -1 1 384.835 1.910 20 0 GDADMM CN1CCN(c2ccc(CCNC(=O)[C@H]3CO[C@@H](CCC(=O)[O-])C3)cc2)CC1 ZINC001593787163 954718061 /nfs/dbraw/zinc/71/80/61/954718061.db2.gz RMEHZUSIMUBDAU-MJGOQNOKSA-N -1 1 389.496 1.367 20 0 GDADMM O=C([O-])[C@@H]1CCCN(c2ccc(CN3CCC(N4CCOC4=O)CC3)o2)C1 ZINC001594914345 954727722 /nfs/dbraw/zinc/72/77/22/954727722.db2.gz GABSHWIFASNTSD-CQSZACIVSA-N -1 1 377.441 1.997 20 0 GDADMM COC(=O)C1CC2(C1)CN([C@H](C)C(=O)Nc1ccc(OC)cc1)C[C@@H]2C(=O)[O-] ZINC001593819648 955020103 /nfs/dbraw/zinc/02/01/03/955020103.db2.gz KNZSGPYNVVHLAN-QDKPIAOCSA-N -1 1 390.436 1.608 20 0 GDADMM CC(C)CN1CCO[C@H](CNC(=O)NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)C1 ZINC001603028918 972088008 /nfs/dbraw/zinc/08/80/08/972088008.db2.gz HOHYUIXMXWBHHX-BWRBCVJASA-N -1 1 383.489 1.055 20 0 GDADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000817872119 955375262 /nfs/dbraw/zinc/37/52/62/955375262.db2.gz CJXYNVZGHMWTHR-NWDGAFQWSA-N -1 1 375.450 1.787 20 0 GDADMM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)Nc3cc(C(=O)[O-])ccn3)cc2)[nH]1 ZINC001593854414 955485704 /nfs/dbraw/zinc/48/57/04/955485704.db2.gz ICVNAMBSFSGEGN-UHFFFAOYSA-N -1 1 396.359 1.227 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])oc1Cl ZINC001593875512 955664542 /nfs/dbraw/zinc/66/45/42/955664542.db2.gz ZFFDDCHDPTVYJX-JTQLQIEISA-N -1 1 388.785 1.089 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])cc1F ZINC000851700816 955815398 /nfs/dbraw/zinc/81/53/98/955815398.db2.gz PYPOXVGEEVBVIT-NEPJUHHUSA-N -1 1 376.306 1.870 20 0 GDADMM O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1CCC(=O)Nc1cccnc1 ZINC000852734354 955840643 /nfs/dbraw/zinc/84/06/43/955840643.db2.gz AEMKORHQCRVBBX-YPMHNXCESA-N -1 1 388.346 1.006 20 0 GDADMM C[C@@H](NC(=O)Cn1c(=O)c2ccccc2[nH]c1=S)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589098732 955994893 /nfs/dbraw/zinc/99/48/93/955994893.db2.gz YNLDYVBOSUDKMN-KGYLQXTDSA-N -1 1 389.477 1.937 20 0 GDADMM Cc1cnc(F)c(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])c1 ZINC000868441041 956015190 /nfs/dbraw/zinc/01/51/90/956015190.db2.gz PBKGAIITGQVAKX-VHSXEESVSA-N -1 1 377.294 1.265 20 0 GDADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001589114439 956081811 /nfs/dbraw/zinc/08/18/11/956081811.db2.gz NVQKZGHUBTXMKG-ASSNKEHSSA-N -1 1 394.431 1.840 20 0 GDADMM C[C@@H]1CN(Cc2ccc(CNC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)cc2)C[C@@H](C)O1 ZINC000874384504 956126307 /nfs/dbraw/zinc/12/63/07/956126307.db2.gz PLEARTZICAACPW-DTTOXWODSA-N -1 1 375.469 1.958 20 0 GDADMM O=C([O-])/C=C\c1cc(C(=O)NCCN2CCN(Cc3ccccc3)CC2)co1 ZINC000901976870 956584459 /nfs/dbraw/zinc/58/44/59/956584459.db2.gz XISNKWWVYKAZIH-SREVYHEPSA-N -1 1 383.448 1.925 20 0 GDADMM COC[C@]1(C(=O)[O-])CN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2O)CCO1 ZINC001593981072 956712957 /nfs/dbraw/zinc/71/29/57/956712957.db2.gz XEHZAZUULQCDIB-IBGZPJMESA-N -1 1 389.360 1.407 20 0 GDADMM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1cccc(S(=O)(=O)Nc2ncccn2)c1 ZINC001589217471 956735675 /nfs/dbraw/zinc/73/56/75/956735675.db2.gz JVLSPHJBEBJMTQ-KRWDZBQOSA-N -1 1 390.421 1.717 20 0 GDADMM O=C([O-])[C@@H]1CC(C(=O)N[C@@H]2CCCN3CCSC[C@H]23)=NN1c1ccccc1 ZINC000902817981 956805273 /nfs/dbraw/zinc/80/52/73/956805273.db2.gz HMPMAUGCUXRLBJ-HYVNUMGLSA-N -1 1 388.493 1.402 20 0 GDADMM COC(=O)C1CC2(C1)CN(CC(=O)Nc1ccc(C)c(F)c1)C[C@H]2C(=O)[O-] ZINC000903410920 956837604 /nfs/dbraw/zinc/83/76/04/956837604.db2.gz HVQOZAHLGZRQIG-MMSRSVNZSA-N -1 1 378.400 1.658 20 0 GDADMM COCCN(CCC(=O)[O-])C(=O)c1cc(-c2ccc(OC)cc2OC)[nH]n1 ZINC001594007208 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IYUOIAMCMVZJAV-UHFFFAOYSA-N -1 1 395.250 1.369 20 0 GDADMM O=C([O-])CN1CCCN(S(=O)(=O)c2cc(Br)ccc2F)CC1 ZINC000275261522 532281719 /nfs/dbraw/zinc/28/17/19/532281719.db2.gz IYUOIAMCMVZJAV-UHFFFAOYSA-N -1 1 395.250 1.369 20 0 GDADMM COC(=O)c1ccc(S(=O)(=O)[N-]CCCn2cc(Br)cn2)o1 ZINC000288344646 532282909 /nfs/dbraw/zinc/28/29/09/532282909.db2.gz IGOLJSGRIVZSET-UHFFFAOYSA-N -1 1 392.231 1.394 20 0 GDADMM Cn1cc(S(=O)(=O)[N-]c2cccc(CN3CCN(C)CC3)c2)nc1Cl ZINC000275417848 532293867 /nfs/dbraw/zinc/29/38/67/532293867.db2.gz CPHQKYLJCPXINB-UHFFFAOYSA-N -1 1 383.905 1.622 20 0 GDADMM COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@]2(C)CCO[C@H]2C2CC2)c1F ZINC000378654506 532294361 /nfs/dbraw/zinc/29/43/61/532294361.db2.gz VYQXENONYDEDBV-GOEBONIOSA-N -1 1 375.393 1.987 20 0 GDADMM C[C@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000289453749 532325015 /nfs/dbraw/zinc/32/50/15/532325015.db2.gz FHZDRTZYAPZUMV-YUMQZZPRSA-N -1 1 381.426 1.246 20 0 GDADMM NC(=O)C1=NO[C@@H](C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)C1 ZINC000275918456 532314582 /nfs/dbraw/zinc/31/45/82/532314582.db2.gz SVJDXYGYUCKCGT-ZCFIWIBFSA-N -1 1 386.644 1.555 20 0 GDADMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2CCOC)cc1 ZINC000276372590 532328095 /nfs/dbraw/zinc/32/80/95/532328095.db2.gz XLIXAQUJJHNFCJ-UHFFFAOYSA-N -1 1 384.479 1.584 20 0 GDADMM NS(=O)(=O)c1cccc(NC(=O)CSc2nc(C3CC3)cc(=O)[n-]2)c1 ZINC000276383453 532328583 /nfs/dbraw/zinc/32/85/83/532328583.db2.gz SSZRXJVYPDUPJY-UHFFFAOYSA-N -1 1 380.451 1.438 20 0 GDADMM CN(C[C@H]1CCCO1)C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000289768320 532331930 /nfs/dbraw/zinc/33/19/30/532331930.db2.gz LCIGTOUWCZSATM-SNVBAGLBSA-N -1 1 381.281 1.909 20 0 GDADMM COCC[C@@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(=O)OC ZINC000289777657 532332204 /nfs/dbraw/zinc/33/22/04/532332204.db2.gz GWKPIFVPYATOPD-SECBINFHSA-N -1 1 389.323 1.581 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCC1CCSCC1 ZINC000737200235 598823420 /nfs/dbraw/zinc/82/34/20/598823420.db2.gz KKZGJUSOQVDVCS-UHFFFAOYSA-N -1 1 376.486 1.776 20 0 GDADMM CS(=O)(=O)CCC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000737160793 598836218 /nfs/dbraw/zinc/83/62/18/598836218.db2.gz DZFHOZJFSRFOSH-UHFFFAOYSA-N -1 1 391.478 1.646 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N(C)Cc1ccon1 ZINC000737488356 598849839 /nfs/dbraw/zinc/84/98/39/598849839.db2.gz SULUJMIOYPEHHQ-UHFFFAOYSA-N -1 1 381.400 1.105 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N(C)Cc1ccon1 ZINC000737488356 598849840 /nfs/dbraw/zinc/84/98/40/598849840.db2.gz SULUJMIOYPEHHQ-UHFFFAOYSA-N -1 1 381.400 1.105 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCOc2cccc(C(C)(C)C)c2)n(C)c1=O ZINC000737596392 598870424 /nfs/dbraw/zinc/87/04/24/598870424.db2.gz MVYMNKWMXMFYCF-UHFFFAOYSA-N -1 1 399.455 1.053 20 0 GDADMM CCn1cc(CN(C)S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cn1 ZINC000736721712 598875920 /nfs/dbraw/zinc/87/59/20/598875920.db2.gz IXTCYWLEQGKELA-UHFFFAOYSA-N -1 1 381.849 1.557 20 0 GDADMM CCn1cc(CN(C)S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cn1 ZINC000736721712 598875921 /nfs/dbraw/zinc/87/59/21/598875921.db2.gz IXTCYWLEQGKELA-UHFFFAOYSA-N -1 1 381.849 1.557 20 0 GDADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc(Cl)c(C(N)=O)c1 ZINC000737301335 598930119 /nfs/dbraw/zinc/93/01/19/598930119.db2.gz KFXMLGNUSOGFHK-UHFFFAOYSA-N -1 1 392.828 1.728 20 0 GDADMM CCC[C@@](C)(O)CNC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000736418032 598932083 /nfs/dbraw/zinc/93/20/83/598932083.db2.gz XWQSIVHEBGEEOW-GOSISDBHSA-N -1 1 386.460 1.126 20 0 GDADMM CCC[C@@](C)(O)CNC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000736418032 598932084 /nfs/dbraw/zinc/93/20/84/598932084.db2.gz XWQSIVHEBGEEOW-GOSISDBHSA-N -1 1 386.460 1.126 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(C)CCCOC(C)C ZINC000737201381 598940934 /nfs/dbraw/zinc/94/09/34/598940934.db2.gz RTKYAYKDAORRDU-UHFFFAOYSA-N -1 1 376.461 1.790 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCN(CCOc2ccccc2)CC1 ZINC000738259862 598984472 /nfs/dbraw/zinc/98/44/72/598984472.db2.gz WZWNHQVMWOMBBT-UHFFFAOYSA-N -1 1 379.424 1.099 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCN(CCOc2ccccc2)CC1 ZINC000738259862 598984473 /nfs/dbraw/zinc/98/44/73/598984473.db2.gz WZWNHQVMWOMBBT-UHFFFAOYSA-N -1 1 379.424 1.099 20 0 GDADMM CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736816243 598987579 /nfs/dbraw/zinc/98/75/79/598987579.db2.gz BVDUCOWKHZCWCO-UHFFFAOYSA-N -1 1 377.408 1.426 20 0 GDADMM CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736816243 598987580 /nfs/dbraw/zinc/98/75/80/598987580.db2.gz BVDUCOWKHZCWCO-UHFFFAOYSA-N -1 1 377.408 1.426 20 0 GDADMM O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738173298 598991914 /nfs/dbraw/zinc/99/19/14/598991914.db2.gz MYSXZRXCLSZKFE-OAHLLOKOSA-N -1 1 379.380 1.632 20 0 GDADMM O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738173298 598991916 /nfs/dbraw/zinc/99/19/16/598991916.db2.gz MYSXZRXCLSZKFE-OAHLLOKOSA-N -1 1 379.380 1.632 20 0 GDADMM C[C@H](c1cccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1)N1CCOCC1 ZINC000736199991 599002641 /nfs/dbraw/zinc/00/26/41/599002641.db2.gz QMEDROCDKWBFST-CYBMUJFWSA-N -1 1 379.424 1.907 20 0 GDADMM O=C(NCc1cccc(COC2CCOCC2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738117928 599006962 /nfs/dbraw/zinc/00/69/62/599006962.db2.gz ZGPBJZVEGBQYOZ-UHFFFAOYSA-N -1 1 394.435 1.887 20 0 GDADMM O=C(NCc1cccc(COC2CCOCC2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738117928 599006964 /nfs/dbraw/zinc/00/69/64/599006964.db2.gz ZGPBJZVEGBQYOZ-UHFFFAOYSA-N -1 1 394.435 1.887 20 0 GDADMM O=C(CCC1CC1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000737822263 599021420 /nfs/dbraw/zinc/02/14/20/599021420.db2.gz CQMBOAMGBCROEE-UHFFFAOYSA-N -1 1 383.412 1.954 20 0 GDADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1NS(C)(=O)=O ZINC000736117855 599021873 /nfs/dbraw/zinc/02/18/73/599021873.db2.gz HESSHBPXZGSBHV-JTQLQIEISA-N -1 1 387.425 1.124 20 0 GDADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1NS(C)(=O)=O ZINC000736117855 599021875 /nfs/dbraw/zinc/02/18/75/599021875.db2.gz HESSHBPXZGSBHV-JTQLQIEISA-N -1 1 387.425 1.124 20 0 GDADMM O=C(NCc1ccc(N2CCCCCC2)nc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738103328 599024653 /nfs/dbraw/zinc/02/46/53/599024653.db2.gz IKWUXSITVBMAHQ-UHFFFAOYSA-N -1 1 378.440 1.967 20 0 GDADMM O=C(NCc1ccc(N2CCCCCC2)nc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738103328 599024655 /nfs/dbraw/zinc/02/46/55/599024655.db2.gz IKWUXSITVBMAHQ-UHFFFAOYSA-N -1 1 378.440 1.967 20 0 GDADMM Cc1ccc(C(=O)N2CCC(NC(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)cc1 ZINC000737308559 599028271 /nfs/dbraw/zinc/02/82/71/599028271.db2.gz KGGKFMSRCOYZNS-UHFFFAOYSA-N -1 1 391.435 1.605 20 0 GDADMM Cc1ccc(C(=O)N2CCC(NC(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)cc1 ZINC000737308559 599028273 /nfs/dbraw/zinc/02/82/73/599028273.db2.gz KGGKFMSRCOYZNS-UHFFFAOYSA-N -1 1 391.435 1.605 20 0 GDADMM CN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000736820512 599033545 /nfs/dbraw/zinc/03/35/45/599033545.db2.gz ODIOPWXVFQKETL-UHFFFAOYSA-N -1 1 391.384 1.555 20 0 GDADMM CN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000736820512 599033546 /nfs/dbraw/zinc/03/35/46/599033546.db2.gz ODIOPWXVFQKETL-UHFFFAOYSA-N -1 1 391.384 1.555 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCC1(C(N)=O)CCCC1 ZINC000737546855 599037597 /nfs/dbraw/zinc/03/75/97/599037597.db2.gz GSCHWKSVIFMBSR-UHFFFAOYSA-N -1 1 383.412 1.334 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCC1(C(N)=O)CCCC1 ZINC000737546855 599037600 /nfs/dbraw/zinc/03/76/00/599037600.db2.gz GSCHWKSVIFMBSR-UHFFFAOYSA-N -1 1 383.412 1.334 20 0 GDADMM Cn1ccc(N2CCC[C@@H](Nc3snc(Cl)c3-c3nnn[n-]3)C2=O)n1 ZINC000822688925 599065902 /nfs/dbraw/zinc/06/59/02/599065902.db2.gz DUOQTIXYCJGJEB-SSDOTTSWSA-N -1 1 379.837 1.318 20 0 GDADMM Cn1ccc(N2CCC[C@@H](Nc3snc(Cl)c3-c3nn[n-]n3)C2=O)n1 ZINC000822688925 599065905 /nfs/dbraw/zinc/06/59/05/599065905.db2.gz DUOQTIXYCJGJEB-SSDOTTSWSA-N -1 1 379.837 1.318 20 0 GDADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[nH]n3)c2)cc1C ZINC000736949179 599098329 /nfs/dbraw/zinc/09/83/29/599098329.db2.gz NRHWMBPNBDUBCP-UHFFFAOYSA-N -1 1 391.384 1.902 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(Nc2cccc(Oc3ccccn3)c2)n(C)c1=O ZINC000822601180 599111475 /nfs/dbraw/zinc/11/14/75/599111475.db2.gz UVCMNIMWXADVEJ-UHFFFAOYSA-N -1 1 392.379 1.195 20 0 GDADMM O=C(OCc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738236513 599136006 /nfs/dbraw/zinc/13/60/06/599136006.db2.gz LIPHNAWCEIXNLN-UHFFFAOYSA-N -1 1 383.755 1.280 20 0 GDADMM O=C(OCc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738236513 599136007 /nfs/dbraw/zinc/13/60/07/599136007.db2.gz LIPHNAWCEIXNLN-UHFFFAOYSA-N -1 1 383.755 1.280 20 0 GDADMM COC[C@@H](C)n1c(C)cc(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)c1C ZINC000736967639 599134954 /nfs/dbraw/zinc/13/49/54/599134954.db2.gz BSVBTYMLBDCTAO-GFCCVEGCSA-N -1 1 398.423 1.927 20 0 GDADMM COC[C@@H](C)n1c(C)cc(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)c1C ZINC000736967639 599134955 /nfs/dbraw/zinc/13/49/55/599134955.db2.gz BSVBTYMLBDCTAO-GFCCVEGCSA-N -1 1 398.423 1.927 20 0 GDADMM O=C(CC1CCC1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000822940706 599138031 /nfs/dbraw/zinc/13/80/31/599138031.db2.gz BEKZTRBCWWUSRJ-UHFFFAOYSA-N -1 1 383.412 1.954 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N1CCc2ccccc2C1 ZINC000736156691 599138176 /nfs/dbraw/zinc/13/81/76/599138176.db2.gz DAYJDBQESDTTDL-GFCCVEGCSA-N -1 1 378.392 1.392 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N1CCc2ccccc2C1 ZINC000736156691 599138178 /nfs/dbraw/zinc/13/81/78/599138178.db2.gz DAYJDBQESDTTDL-GFCCVEGCSA-N -1 1 378.392 1.392 20 0 GDADMM CC(C)c1ccc(CCNC(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735924459 599142169 /nfs/dbraw/zinc/14/21/69/599142169.db2.gz UJNBBWZHLKDMRJ-UHFFFAOYSA-N -1 1 394.435 1.901 20 0 GDADMM CC(C)c1ccc(CCNC(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735924459 599142173 /nfs/dbraw/zinc/14/21/73/599142173.db2.gz UJNBBWZHLKDMRJ-UHFFFAOYSA-N -1 1 394.435 1.901 20 0 GDADMM Cc1cc(C)n2nc(CCCOC(=O)c3ccc(-c4nnn[n-]4)nc3)nc2n1 ZINC000737257727 599152225 /nfs/dbraw/zinc/15/22/25/599152225.db2.gz YXWMPCNJCYQXMV-UHFFFAOYSA-N -1 1 379.384 1.106 20 0 GDADMM Cc1cc(C)n2nc(CCCOC(=O)c3ccc(-c4nn[n-]n4)nc3)nc2n1 ZINC000737257727 599152226 /nfs/dbraw/zinc/15/22/26/599152226.db2.gz YXWMPCNJCYQXMV-UHFFFAOYSA-N -1 1 379.384 1.106 20 0 GDADMM Cn1cc([C@@H]2CCN(S(=O)(=O)c3cccc(Cl)c3-c3nnn[n-]3)C2)cn1 ZINC000737606015 599179487 /nfs/dbraw/zinc/17/94/87/599179487.db2.gz YKKDYPICDYFGRB-SNVBAGLBSA-N -1 1 393.860 1.432 20 0 GDADMM Cn1cc([C@@H]2CCN(S(=O)(=O)c3cccc(Cl)c3-c3nn[n-]n3)C2)cn1 ZINC000737606015 599179489 /nfs/dbraw/zinc/17/94/89/599179489.db2.gz YKKDYPICDYFGRB-SNVBAGLBSA-N -1 1 393.860 1.432 20 0 GDADMM O=C(N[C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823146677 599208293 /nfs/dbraw/zinc/20/82/93/599208293.db2.gz YCWXAMXXJSIUCQ-VYDXJSESSA-N -1 1 389.419 1.149 20 0 GDADMM O=C(N[C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823146677 599208296 /nfs/dbraw/zinc/20/82/96/599208296.db2.gz YCWXAMXXJSIUCQ-VYDXJSESSA-N -1 1 389.419 1.149 20 0 GDADMM Cc1nn(C)c(C)c1CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000822491975 599209945 /nfs/dbraw/zinc/20/99/45/599209945.db2.gz LXIUHLCNPNSRSJ-UHFFFAOYSA-N -1 1 380.412 1.839 20 0 GDADMM Cc1nn(C)c(C)c1CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000822491975 599209947 /nfs/dbraw/zinc/20/99/47/599209947.db2.gz LXIUHLCNPNSRSJ-UHFFFAOYSA-N -1 1 380.412 1.839 20 0 GDADMM COc1cccc(-c2noc([C@H](C)NC(=O)c3ccc(-c4nnn[n-]4)nc3)n2)c1 ZINC000821854658 599215002 /nfs/dbraw/zinc/21/50/02/599215002.db2.gz QRJGNBDTXRXSBL-JTQLQIEISA-N -1 1 392.379 1.811 20 0 GDADMM COc1cccc(-c2noc([C@H](C)NC(=O)c3ccc(-c4nn[n-]n4)nc3)n2)c1 ZINC000821854658 599215005 /nfs/dbraw/zinc/21/50/05/599215005.db2.gz QRJGNBDTXRXSBL-JTQLQIEISA-N -1 1 392.379 1.811 20 0 GDADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)NCC2 ZINC000737301140 599229329 /nfs/dbraw/zinc/22/93/29/599229329.db2.gz IWPDCYUKVOAJJW-UHFFFAOYSA-N -1 1 384.421 1.262 20 0 GDADMM CN1CCN(c2cc(CNC(=O)N3CCC[C@H](CC(=O)[O-])C3)ccn2)CC1 ZINC000818482457 597057154 /nfs/dbraw/zinc/05/71/54/597057154.db2.gz WRWLFZINDUDNDH-MRXNPFEDSA-N -1 1 375.473 1.230 20 0 GDADMM C[C@H](NC(=O)C(=O)Nc1ccc(-c2nnc(-c3ccccc3)[nH]2)cc1)C(=O)[O-] ZINC000820106909 597349636 /nfs/dbraw/zinc/34/96/36/597349636.db2.gz CBKNWZFEWXXBAN-NSHDSACASA-N -1 1 379.376 1.667 20 0 GDADMM C[C@H](NC(=O)C(=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1)C(=O)[O-] ZINC000820106909 597349641 /nfs/dbraw/zinc/34/96/41/597349641.db2.gz CBKNWZFEWXXBAN-NSHDSACASA-N -1 1 379.376 1.667 20 0 GDADMM CNS(=O)(=O)c1cccc(CNc2cc(-c3nnn[n-]3)nc3ccccc32)c1 ZINC000736886193 599272766 /nfs/dbraw/zinc/27/27/66/599272766.db2.gz DTDAPHQDUVJZMH-UHFFFAOYSA-N -1 1 395.448 1.935 20 0 GDADMM CNS(=O)(=O)c1cccc(CNc2cc(-c3nn[n-]n3)nc3ccccc32)c1 ZINC000736886193 599272768 /nfs/dbraw/zinc/27/27/68/599272768.db2.gz DTDAPHQDUVJZMH-UHFFFAOYSA-N -1 1 395.448 1.935 20 0 GDADMM Cc1cc(F)cc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1 ZINC000822203280 607319297 /nfs/dbraw/zinc/31/92/97/607319297.db2.gz MEGXFXQPLJQOFF-LBPRGKRZSA-N -1 1 397.418 1.847 20 0 GDADMM Cc1cc(F)cc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1 ZINC000822203280 607319298 /nfs/dbraw/zinc/31/92/98/607319298.db2.gz MEGXFXQPLJQOFF-LBPRGKRZSA-N -1 1 397.418 1.847 20 0 GDADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000678932989 598185338 /nfs/dbraw/zinc/18/53/38/598185338.db2.gz SDTFCMKEHFOQGK-UHFFFAOYSA-N -1 1 379.376 1.505 20 0 GDADMM CC[C@H](C)[C@H](NCC(=O)Nc1cccc(C(=O)N2CCSCC2)c1)C(=O)[O-] ZINC000263157179 598187317 /nfs/dbraw/zinc/18/73/17/598187317.db2.gz QBEDRMIUQDEJAK-GUYCJALGSA-N -1 1 393.509 1.903 20 0 GDADMM Cc1ccn(CC(=O)Nc2ccc(OC(F)F)cc2)c(=O)c1-c1nn[n-]n1 ZINC000822369260 607348582 /nfs/dbraw/zinc/34/85/82/607348582.db2.gz FBWBYTIBISJSSU-UHFFFAOYSA-N -1 1 376.323 1.577 20 0 GDADMM CN(c1ccccc1)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736843308 598267317 /nfs/dbraw/zinc/26/73/17/598267317.db2.gz KXTSMULTQUJHGV-UHFFFAOYSA-N -1 1 399.480 1.551 20 0 GDADMM CN(c1ccccc1)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736843308 598267319 /nfs/dbraw/zinc/26/73/19/598267319.db2.gz KXTSMULTQUJHGV-UHFFFAOYSA-N -1 1 399.480 1.551 20 0 GDADMM O=S(=O)(NC[C@H]1CCN(c2ccccc2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344644 598269347 /nfs/dbraw/zinc/26/93/47/598269347.db2.gz ZGKZLWLNZTVPNH-CYBMUJFWSA-N -1 1 385.453 1.067 20 0 GDADMM O=S(=O)(NC[C@H]1CCN(c2ccccc2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738344644 598269348 /nfs/dbraw/zinc/26/93/48/598269348.db2.gz ZGKZLWLNZTVPNH-CYBMUJFWSA-N -1 1 385.453 1.067 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000738353873 598269514 /nfs/dbraw/zinc/26/95/14/598269514.db2.gz HTCXCINKJJQWIM-ZDUSSCGKSA-N -1 1 390.425 1.225 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000738353873 598269516 /nfs/dbraw/zinc/26/95/16/598269516.db2.gz HTCXCINKJJQWIM-ZDUSSCGKSA-N -1 1 390.425 1.225 20 0 GDADMM COC(=O)NC(C)(C)C(=O)OCc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000736934758 598289378 /nfs/dbraw/zinc/28/93/78/598289378.db2.gz CTNFSYGONCLOJC-UHFFFAOYSA-N -1 1 399.411 1.539 20 0 GDADMM COc1cccc(OC)c1OC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000737141065 598345908 /nfs/dbraw/zinc/34/59/08/598345908.db2.gz KLGAGWCCQZWXBO-UHFFFAOYSA-N -1 1 383.412 1.722 20 0 GDADMM COc1cccc(OC)c1OC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000737141065 598345910 /nfs/dbraw/zinc/34/59/10/598345910.db2.gz KLGAGWCCQZWXBO-UHFFFAOYSA-N -1 1 383.412 1.722 20 0 GDADMM COc1ccccc1CC(=O)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC000737146090 598350215 /nfs/dbraw/zinc/35/02/15/598350215.db2.gz FNMZTUWDZNDEPI-UHFFFAOYSA-N -1 1 394.439 1.311 20 0 GDADMM COc1ccccc1CC(=O)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC000737146090 598350217 /nfs/dbraw/zinc/35/02/17/598350217.db2.gz FNMZTUWDZNDEPI-UHFFFAOYSA-N -1 1 394.439 1.311 20 0 GDADMM O=C(NCCNc1nccnc1-c1nnn[n-]1)c1cccc(Br)c1 ZINC000738082813 598352062 /nfs/dbraw/zinc/35/20/62/598352062.db2.gz OUWIVRKGWYXPQT-UHFFFAOYSA-N -1 1 389.217 1.261 20 0 GDADMM O=C(NCCNc1nccnc1-c1nn[n-]n1)c1cccc(Br)c1 ZINC000738082813 598352063 /nfs/dbraw/zinc/35/20/63/598352063.db2.gz OUWIVRKGWYXPQT-UHFFFAOYSA-N -1 1 389.217 1.261 20 0 GDADMM CCc1nn(C[C@@H](O)c2c(F)cccc2F)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706084 598373987 /nfs/dbraw/zinc/37/39/87/598373987.db2.gz SVRZWMCQMNLNQF-CYBMUJFWSA-N -1 1 376.367 1.560 20 0 GDADMM Cn1cccc1C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000737612867 598408538 /nfs/dbraw/zinc/40/85/38/598408538.db2.gz KDRSTURULABOEQ-UHFFFAOYSA-N -1 1 392.379 1.186 20 0 GDADMM Cn1cccc1C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737612867 598408541 /nfs/dbraw/zinc/40/85/41/598408541.db2.gz KDRSTURULABOEQ-UHFFFAOYSA-N -1 1 392.379 1.186 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N(C)C[C@H]1CCCOC1 ZINC000737487827 598466753 /nfs/dbraw/zinc/46/67/53/598466753.db2.gz NUHFWJBRNLCYIS-CQSZACIVSA-N -1 1 398.471 1.344 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N(C)C[C@H]1CCCOC1 ZINC000737487827 598466754 /nfs/dbraw/zinc/46/67/54/598466754.db2.gz NUHFWJBRNLCYIS-CQSZACIVSA-N -1 1 398.471 1.344 20 0 GDADMM COCc1cc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)ccc1F ZINC000737015958 598471609 /nfs/dbraw/zinc/47/16/09/598471609.db2.gz HTMOPHYYBAUUHP-UHFFFAOYSA-N -1 1 378.389 1.026 20 0 GDADMM COCc1cc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)ccc1F ZINC000737015958 598471610 /nfs/dbraw/zinc/47/16/10/598471610.db2.gz HTMOPHYYBAUUHP-UHFFFAOYSA-N -1 1 378.389 1.026 20 0 GDADMM C[C@H]1C[C@@H]1NC(=O)C1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000736241307 598501056 /nfs/dbraw/zinc/50/10/56/598501056.db2.gz WWHSHKXNJPTVER-JQWIXIFHSA-N -1 1 383.412 1.856 20 0 GDADMM CCN(C(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C)c1cccnc1 ZINC000736504149 598505013 /nfs/dbraw/zinc/50/50/13/598505013.db2.gz AJUJLZYRCOMYEP-UHFFFAOYSA-N -1 1 391.439 1.907 20 0 GDADMM CCN(C(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C)c1cccnc1 ZINC000736504149 598505014 /nfs/dbraw/zinc/50/50/14/598505014.db2.gz AJUJLZYRCOMYEP-UHFFFAOYSA-N -1 1 391.439 1.907 20 0 GDADMM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)nc1)c1nc(C2CC2)no1 ZINC000735735747 598525539 /nfs/dbraw/zinc/52/55/39/598525539.db2.gz VBLZHUVZGZBDEJ-GFCCVEGCSA-N -1 1 390.429 1.198 20 0 GDADMM Cc1noc([C@@H](C)N2CCN(c3snc(Cl)c3-c3nnn[n-]3)CC2)n1 ZINC000737534503 598545674 /nfs/dbraw/zinc/54/56/74/598545674.db2.gz OVOURMMFZKIIAG-SSDOTTSWSA-N -1 1 381.853 1.551 20 0 GDADMM Cc1noc([C@@H](C)N2CCN(c3snc(Cl)c3-c3nn[n-]n3)CC2)n1 ZINC000737534503 598545675 /nfs/dbraw/zinc/54/56/75/598545675.db2.gz OVOURMMFZKIIAG-SSDOTTSWSA-N -1 1 381.853 1.551 20 0 GDADMM C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000820333784 607360655 /nfs/dbraw/zinc/36/06/55/607360655.db2.gz GIMWRTADWYMRPQ-JMCQJSRRSA-N -1 1 397.226 1.003 20 0 GDADMM O=C1OC(c2cc(F)cc(F)c2)=NC1=Cc1cnc2c(-c3nnn[n-]3)cnn2c1 ZINC000738318621 598567568 /nfs/dbraw/zinc/56/75/68/598567568.db2.gz LIESXUNNMORQOB-HSIUAXRUSA-N -1 1 394.301 1.532 20 0 GDADMM O=C1OC(c2cc(F)cc(F)c2)=NC1=Cc1cnc2c(-c3nn[n-]n3)cnn2c1 ZINC000738318621 598567570 /nfs/dbraw/zinc/56/75/70/598567570.db2.gz LIESXUNNMORQOB-HSIUAXRUSA-N -1 1 394.301 1.532 20 0 GDADMM CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC000736604362 598568891 /nfs/dbraw/zinc/56/88/91/598568891.db2.gz XICMYZIZXAFXCO-MRVPVSSYSA-N -1 1 390.429 1.459 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCc1nc(-c2cnn(C)c2)no1 ZINC000737486783 598609970 /nfs/dbraw/zinc/60/99/70/598609970.db2.gz DPDCTXBFTOPYRC-UHFFFAOYSA-N -1 1 391.399 1.095 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCc1nc(-c2cnn(C)c2)no1 ZINC000737486783 598609971 /nfs/dbraw/zinc/60/99/71/598609971.db2.gz DPDCTXBFTOPYRC-UHFFFAOYSA-N -1 1 391.399 1.095 20 0 GDADMM CCc1nn(Cc2nc(-c3ccccc3)no2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706424 598640431 /nfs/dbraw/zinc/64/04/31/598640431.db2.gz LKMCDQNDOUFADB-UHFFFAOYSA-N -1 1 378.396 1.647 20 0 GDADMM COCc1cccc(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737018250 598690416 /nfs/dbraw/zinc/69/04/16/598690416.db2.gz WDZGNGKXIMQASY-UHFFFAOYSA-N -1 1 377.401 1.631 20 0 GDADMM CCN(CCc1ccccn1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736541876 598691352 /nfs/dbraw/zinc/69/13/52/598691352.db2.gz LWWPLZQDGBQZLF-UHFFFAOYSA-N -1 1 376.417 1.654 20 0 GDADMM O=S(=O)(Oc1ccc2c(c1)OCCCO2)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738339574 598693923 /nfs/dbraw/zinc/69/39/23/598693923.db2.gz NZTFDKAXLPSORD-UHFFFAOYSA-N -1 1 392.368 1.935 20 0 GDADMM CS(=O)(=O)Nc1ccc(COC(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC000737167515 598722951 /nfs/dbraw/zinc/72/29/51/598722951.db2.gz BXVIXGLIJMGIBE-UHFFFAOYSA-N -1 1 379.423 1.657 20 0 GDADMM Cc1oc(NC(=O)COC(=O)c2ccnc(C3CC3)n2)c(-c2nn[n-]n2)c1C ZINC000737552772 598758962 /nfs/dbraw/zinc/75/89/62/598758962.db2.gz QKNAEFUGXGQSPW-UHFFFAOYSA-N -1 1 383.368 1.539 20 0 GDADMM Cc1cc2cc(NC(=O)NCCCc3[nH]nc(N)c3-c3nnn[n-]3)ccc2[nH]1 ZINC000737285336 598782462 /nfs/dbraw/zinc/78/24/62/598782462.db2.gz QNVSKWCSDZSWQH-UHFFFAOYSA-N -1 1 380.416 1.716 20 0 GDADMM Cc1cc2cc(NC(=O)NCCCc3[nH]nc(N)c3-c3nn[n-]n3)ccc2[nH]1 ZINC000737285336 598782463 /nfs/dbraw/zinc/78/24/63/598782463.db2.gz QNVSKWCSDZSWQH-UHFFFAOYSA-N -1 1 380.416 1.716 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(Oc2ccc(OC3CCCCC3)cc2)n(C)c1=O ZINC000737597665 598795960 /nfs/dbraw/zinc/79/59/60/598795960.db2.gz UDCMIAMYONVCFM-UHFFFAOYSA-N -1 1 398.423 1.768 20 0 GDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(C)c1cccc(-c2nn[nH]n2)c1 ZINC000737488593 598807805 /nfs/dbraw/zinc/80/78/05/598807805.db2.gz RSIBRDZKFYQKMG-UHFFFAOYSA-N -1 1 378.396 1.437 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)NCc2nnc(C)n2C)c1-c1nn[n-]n1 ZINC000737189772 598812549 /nfs/dbraw/zinc/81/25/49/598812549.db2.gz QHKXAZJXAVBDSE-UHFFFAOYSA-N -1 1 385.457 1.228 20 0 GDADMM O=C([C@@H]1CCCS1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000822918032 599317881 /nfs/dbraw/zinc/31/78/81/599317881.db2.gz XZXORWPGAIKBHD-NSHDSACASA-N -1 1 375.458 1.276 20 0 GDADMM CC(C)(C)Cc1nc(-c2ccc(C(=O)n3ncc(-c4nn[n-]n4)c3N)cc2)no1 ZINC000819914332 599318843 /nfs/dbraw/zinc/31/88/43/599318843.db2.gz QFWPWEAYIULNJI-UHFFFAOYSA-N -1 1 393.411 1.973 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCOc2ccccc2C1 ZINC000823606493 599341109 /nfs/dbraw/zinc/34/11/09/599341109.db2.gz IVAWKEAMMNFAPU-UHFFFAOYSA-N -1 1 375.385 1.589 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCOc2ccccc2C1 ZINC000823606493 599341111 /nfs/dbraw/zinc/34/11/11/599341111.db2.gz IVAWKEAMMNFAPU-UHFFFAOYSA-N -1 1 375.385 1.589 20 0 GDADMM Cc1ccnc(N2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)n1 ZINC000737435741 599404962 /nfs/dbraw/zinc/40/49/62/599404962.db2.gz BXWCJSOHHHJZFF-UHFFFAOYSA-N -1 1 379.384 1.540 20 0 GDADMM CC(=O)c1ccc([O-])c(CCOC(=O)COc2cccc(-c3nn[nH]n3)c2)c1 ZINC000819835679 599657185 /nfs/dbraw/zinc/65/71/85/599657185.db2.gz YLIWIEALXUOHSM-UHFFFAOYSA-N -1 1 382.376 1.940 20 0 GDADMM CC(C)[C@H](C)NC(=O)C1CCN([C@@H](C)C(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000736353219 599713936 /nfs/dbraw/zinc/71/39/36/599713936.db2.gz IFZRJHMVLFYWMR-GJZGRUSLSA-N -1 1 381.517 1.571 20 0 GDADMM CC(C)CN1CCO[C@H](CNC(=O)C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000736442033 599720952 /nfs/dbraw/zinc/72/09/52/599720952.db2.gz BJYRSPLZHFINHT-CYBMUJFWSA-N -1 1 396.419 1.327 20 0 GDADMM O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(CC[NH+]3CCOCC3)cc2)o1 ZINC000740177896 599802878 /nfs/dbraw/zinc/80/28/78/599802878.db2.gz UIHXBXRTJBNHKG-UHFFFAOYSA-N -1 1 380.422 1.653 20 0 GDADMM CC(C)(O)CN1CCN(CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)CC1 ZINC000736341231 599810142 /nfs/dbraw/zinc/81/01/42/599810142.db2.gz PDCBRCSIRFCPNV-UHFFFAOYSA-N -1 1 381.498 1.262 20 0 GDADMM COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)N2CC[C@@H](N(C)C)C2)c1OC ZINC000737874520 599878084 /nfs/dbraw/zinc/87/80/84/599878084.db2.gz VPODWFYTAYGTAQ-URWSZGRFSA-N -1 1 384.454 1.126 20 0 GDADMM O=C(OCc1cn(-c2ccccc2Cl)nn1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823440323 607407966 /nfs/dbraw/zinc/40/79/66/607407966.db2.gz NECPKHAKOVAPSY-UHFFFAOYSA-N -1 1 382.771 1.853 20 0 GDADMM O=C(OCc1cn(-c2ccccc2Cl)nn1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823440323 607407968 /nfs/dbraw/zinc/40/79/68/607407968.db2.gz NECPKHAKOVAPSY-UHFFFAOYSA-N -1 1 382.771 1.853 20 0 GDADMM CC1(C)CN(C2(CNC(=O)N3CCN(C(=O)[O-])CC3)CCCCC2)CCO1 ZINC000736735441 599958452 /nfs/dbraw/zinc/95/84/52/599958452.db2.gz KHFJTFHVNBIDHQ-UHFFFAOYSA-N -1 1 382.505 1.805 20 0 GDADMM COc1ccc([C@H](CNC(=O)N2CCO[C@H](C(=O)[O-])C2)N2CCCC2)cc1 ZINC000737957559 600031939 /nfs/dbraw/zinc/03/19/39/600031939.db2.gz NYORDXCPEPAYEU-IRXDYDNUSA-N -1 1 377.441 1.327 20 0 GDADMM O=C([O-])COc1ccc(C(=O)OCC2=Nc3ccccc3S(=O)(=O)N2)cc1 ZINC000739823427 600037525 /nfs/dbraw/zinc/03/75/25/600037525.db2.gz LDMKIPPAHRYPRJ-UHFFFAOYSA-N -1 1 390.373 1.329 20 0 GDADMM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000736203567 600083337 /nfs/dbraw/zinc/08/33/37/600083337.db2.gz DNLXWNDWEWTYTH-DZGCQCFKSA-N -1 1 375.473 1.115 20 0 GDADMM CC(C)(C)OC(=O)N[C@H]1CCN(C[C@H](O)COc2ccc(C(=O)[O-])cc2)C1 ZINC000736281380 600092489 /nfs/dbraw/zinc/09/24/89/600092489.db2.gz MNNDRWFMMWGUIO-GJZGRUSLSA-N -1 1 380.441 1.724 20 0 GDADMM COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C)c(C(N)=O)c1 ZINC000737688752 600099523 /nfs/dbraw/zinc/09/95/23/600099523.db2.gz OTRRLQSTXLKGNI-UHFFFAOYSA-N -1 1 392.389 1.380 20 0 GDADMM O=C([O-])CNC(=O)CCN1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000739806689 600159701 /nfs/dbraw/zinc/15/97/01/600159701.db2.gz MUBSUBBGGSISRI-CYBMUJFWSA-N -1 1 388.251 1.987 20 0 GDADMM CN(C1CCN(C)CC1)S(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC000737514804 600218399 /nfs/dbraw/zinc/21/83/99/600218399.db2.gz NCPFWJDINKGMGT-UHFFFAOYSA-N -1 1 391.287 1.862 20 0 GDADMM CCOC[C@@H](O)CN1CCN(c2nc(C)nc3sc(C(=O)[O-])c(C)c32)CC1 ZINC000737163163 600228254 /nfs/dbraw/zinc/22/82/54/600228254.db2.gz ZDPRWRGKDWQHOL-ZDUSSCGKSA-N -1 1 394.497 1.526 20 0 GDADMM CNC(=O)Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC000737540953 600232221 /nfs/dbraw/zinc/23/22/21/600232221.db2.gz RQPJSAOMUXPGPA-UHFFFAOYSA-N -1 1 384.360 1.752 20 0 GDADMM Cc1[nH]nc(S(=O)(=O)Nc2cc(C(=O)N(C)C)ccc2Cl)c1C(=O)[O-] ZINC000738829053 600232667 /nfs/dbraw/zinc/23/26/67/600232667.db2.gz IKBZYLMVJMGMHC-UHFFFAOYSA-N -1 1 386.817 1.572 20 0 GDADMM CN(CC(=O)[O-])C(=O)CCN1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000737401140 600293312 /nfs/dbraw/zinc/29/33/12/600293312.db2.gz JPIUKJFUULOWPG-UHFFFAOYSA-N -1 1 393.875 1.038 20 0 GDADMM O=C([O-])[C@@H]1CC12CCN(CC(=O)NC(=O)Nc1ccc3c(c1)OCO3)CC2 ZINC000739277851 600298587 /nfs/dbraw/zinc/29/85/87/600298587.db2.gz JHZMAWOXWWUFII-LBPRGKRZSA-N -1 1 375.381 1.250 20 0 GDADMM COC(=O)Nc1ccc(CNC(=O)CN2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000737642214 600306298 /nfs/dbraw/zinc/30/62/98/600306298.db2.gz NDBCIBFREXFDNS-OAHLLOKOSA-N -1 1 375.425 1.668 20 0 GDADMM CN(Cc1ccc(NC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1)C(=O)[O-] ZINC000737481419 600340834 /nfs/dbraw/zinc/34/08/34/600340834.db2.gz GLAZLLKJMMMVQE-SJORKVTESA-N -1 1 376.457 1.859 20 0 GDADMM COC(=O)[C@@H](NS(=O)(=O)c1ccc(OCCC(=O)[O-])cc1)c1cccs1 ZINC000737581573 600343393 /nfs/dbraw/zinc/34/33/93/600343393.db2.gz ZSFHXWIDNBQAJG-HNNXBMFYSA-N -1 1 399.446 1.794 20 0 GDADMM O=C([O-])NCc1ccc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 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605375222 /nfs/dbraw/zinc/37/52/22/605375222.db2.gz XMGSLYZZAUISBC-HNNXBMFYSA-N -1 1 387.440 1.804 20 0 GDADMM O=C([O-])NCCNC(=O)[C@@H]1CCCN(C(=O)c2cc(C3CCCCC3)[nH]n2)C1 ZINC000834241160 605442901 /nfs/dbraw/zinc/44/29/01/605442901.db2.gz PNUYWMBKPIMAKN-CQSZACIVSA-N -1 1 391.472 1.693 20 0 GDADMM C[C@@H](NC(=O)C(=O)Nc1cnn(-c2ccncc2)c1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000825067036 605492475 /nfs/dbraw/zinc/49/24/75/605492475.db2.gz QZVZBIPKJSNYKB-OLZOCXBDSA-N -1 1 386.412 1.101 20 0 GDADMM C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)C(=O)Nc2cnn(-c3ccncc3)c2)C1 ZINC000825205894 605498607 /nfs/dbraw/zinc/49/86/07/605498607.db2.gz ZZOLGEKWAIVFLG-STQMWFEESA-N -1 1 386.412 1.101 20 0 GDADMM CC(C)CNC(=O)[C@H](C)N1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)[O-])C1 ZINC000833797197 605514211 /nfs/dbraw/zinc/51/42/11/605514211.db2.gz VFYJINFYUMMYKZ-JYJNAYRXSA-N -1 1 382.505 1.118 20 0 GDADMM C[C@@H](OC(=O)c1cnc(C(=O)[O-])cn1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000833536433 605641262 /nfs/dbraw/zinc/64/12/62/605641262.db2.gz OWSOZTUORFNHKH-UKRRQHHQSA-N -1 1 398.419 1.111 20 0 GDADMM O=C([O-])N1CCC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2cccc3c2OCO3)C1 ZINC000834027627 605686512 /nfs/dbraw/zinc/68/65/12/605686512.db2.gz OVCDSCWDFJNSRI-HOCLYGCPSA-N -1 1 389.452 1.886 20 0 GDADMM Cn1c(=O)c2ccc(-c3nc([C@@H]4COCCN4C(=O)[O-])no3)cc2[nH]c1=S ZINC000833943523 605712282 /nfs/dbraw/zinc/71/22/82/605712282.db2.gz LABMLPWDGJBCDK-NSHDSACASA-N -1 1 389.393 1.324 20 0 GDADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)C=Cc3cncc(O)c3)cc2)n1 ZINC000834247932 605735523 /nfs/dbraw/zinc/73/55/23/605735523.db2.gz YOCRTVJSJVAZGW-LZCJLJQNSA-N -1 1 380.364 1.992 20 0 GDADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)C=Cc3cncc(O)c3)cc2)n[nH]1 ZINC000834247932 605735529 /nfs/dbraw/zinc/73/55/29/605735529.db2.gz YOCRTVJSJVAZGW-LZCJLJQNSA-N -1 1 380.364 1.992 20 0 GDADMM O=C([O-])N1CC[C@]2(C1)C[C@@H](NCCNC(=O)c1ccn[nH]1)c1ccccc1O2 ZINC000834041183 605810481 /nfs/dbraw/zinc/81/04/81/605810481.db2.gz JXBOGPLBWNJMLM-DNVCBOLYSA-N -1 1 385.424 1.375 20 0 GDADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)NC[C@H](C)CNC(=O)[O-] ZINC000833861273 605821251 /nfs/dbraw/zinc/82/12/51/605821251.db2.gz IIIKHVYMVMCSCL-AWEZNQCLSA-N -1 1 393.488 1.862 20 0 GDADMM C[C@H]1C[C@H](CNC(=O)[O-])CN1CC(=O)NCc1ccccc1Cn1cccn1 ZINC000833830089 605884187 /nfs/dbraw/zinc/88/41/87/605884187.db2.gz JMQWCWQRMMINKN-JKSUJKDBSA-N -1 1 385.468 1.526 20 0 GDADMM C[C@H]1C[C@@H](CNC(=O)[O-])CN1CC(=O)NCc1ccccc1Cn1cccn1 ZINC000833830087 605884231 /nfs/dbraw/zinc/88/42/31/605884231.db2.gz JMQWCWQRMMINKN-HOTGVXAUSA-N -1 1 385.468 1.526 20 0 GDADMM O=C([O-])N1CCc2ncc(NC(=O)N3CCN(C[C@H]4CCOC4)CC3)cc2C1 ZINC000834121834 605923495 /nfs/dbraw/zinc/92/34/95/605923495.db2.gz SOPQPHIQUIXFIF-CQSZACIVSA-N -1 1 389.456 1.304 20 0 GDADMM O=C([O-])N1CCc2ncc(NC(=O)N3CCN(C[C@@H]4CCOC4)CC3)cc2C1 ZINC000834121831 605923611 /nfs/dbraw/zinc/92/36/11/605923611.db2.gz SOPQPHIQUIXFIF-AWEZNQCLSA-N -1 1 389.456 1.304 20 0 GDADMM O=C([O-])NC[C@@H]1CCCN1C(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000834213706 605936827 /nfs/dbraw/zinc/93/68/27/605936827.db2.gz CNCFZAJPHCWCMG-VIFPVBQESA-N -1 1 381.339 1.698 20 0 GDADMM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2CC(=O)N1CCN(Cc2ccsc2)CC1 ZINC000834095339 605965353 /nfs/dbraw/zinc/96/53/53/605965353.db2.gz PIHHPAJKLDAEHM-SJORKVTESA-N -1 1 392.525 1.609 20 0 GDADMM CC[C@@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CC[C@@H]1c1ccccc1 ZINC000820995304 606038197 /nfs/dbraw/zinc/03/81/97/606038197.db2.gz PIXMEQLFENYPQP-HIFRSBDPSA-N -1 1 395.467 1.284 20 0 GDADMM COC[C@H](NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)c1ccco1 ZINC000821684308 606114925 /nfs/dbraw/zinc/11/49/25/606114925.db2.gz XQORGFSRJVOKGW-JTQLQIEISA-N -1 1 376.398 1.400 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000820508783 606131911 /nfs/dbraw/zinc/13/19/11/606131911.db2.gz XQGHWDMWTMRCJZ-VIFPVBQESA-N -1 1 398.404 1.459 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000820508783 606131912 /nfs/dbraw/zinc/13/19/12/606131912.db2.gz XQGHWDMWTMRCJZ-VIFPVBQESA-N -1 1 398.404 1.459 20 0 GDADMM COCc1cccc(CNC(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821695797 606132186 /nfs/dbraw/zinc/13/21/86/606132186.db2.gz ITEFHTXWWKDTQU-UHFFFAOYSA-N -1 1 387.421 1.548 20 0 GDADMM COCc1cccc(CNC(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821695797 606132188 /nfs/dbraw/zinc/13/21/88/606132188.db2.gz ITEFHTXWWKDTQU-UHFFFAOYSA-N -1 1 387.421 1.548 20 0 GDADMM CS(=O)(=O)Cc1nc(COC(=O)c2ccc(-c3nnn[n-]3)s2)cs1 ZINC000821933145 606137895 /nfs/dbraw/zinc/13/78/95/606137895.db2.gz VWWKGRLAQWTCTE-UHFFFAOYSA-N -1 1 385.452 1.286 20 0 GDADMM CS(=O)(=O)Cc1nc(COC(=O)c2ccc(-c3nn[n-]n3)s2)cs1 ZINC000821933145 606137897 /nfs/dbraw/zinc/13/78/97/606137897.db2.gz VWWKGRLAQWTCTE-UHFFFAOYSA-N -1 1 385.452 1.286 20 0 GDADMM COc1ccccc1N1CC[C@H](CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC000821899470 606155391 /nfs/dbraw/zinc/15/53/91/606155391.db2.gz ZMJPKZFGNFIZIG-GFCCVEGCSA-N -1 1 397.443 1.257 20 0 GDADMM COc1ccccc1N1CC[C@H](CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC000821899470 606155393 /nfs/dbraw/zinc/15/53/93/606155393.db2.gz ZMJPKZFGNFIZIG-GFCCVEGCSA-N -1 1 397.443 1.257 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2cccc(CN3CCCC3=O)c2)n1 ZINC000822619803 606160055 /nfs/dbraw/zinc/16/00/55/606160055.db2.gz GEDGZVBOPHQAMG-UHFFFAOYSA-N -1 1 395.427 1.044 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2cccc(CN3CCCC3=O)c2)n1 ZINC000822619803 606160057 /nfs/dbraw/zinc/16/00/57/606160057.db2.gz GEDGZVBOPHQAMG-UHFFFAOYSA-N -1 1 395.427 1.044 20 0 GDADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(N2CCCC2=O)cc1 ZINC000820380418 606161751 /nfs/dbraw/zinc/16/17/51/606161751.db2.gz SIYGTMVECFPSTG-LLVKDONJSA-N -1 1 395.427 1.610 20 0 GDADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(N2CCCC2=O)cc1 ZINC000820380418 606161752 /nfs/dbraw/zinc/16/17/52/606161752.db2.gz SIYGTMVECFPSTG-LLVKDONJSA-N -1 1 395.427 1.610 20 0 GDADMM CO[C@@H](CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000821677158 606165897 /nfs/dbraw/zinc/16/58/97/606165897.db2.gz PWEOMZYNHQTPLE-LBPRGKRZSA-N -1 1 376.808 1.763 20 0 GDADMM CO[C@@H](CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000821677158 606165898 /nfs/dbraw/zinc/16/58/98/606165898.db2.gz PWEOMZYNHQTPLE-LBPRGKRZSA-N -1 1 376.808 1.763 20 0 GDADMM Cc1ccc(N2CCC[C@H](NC(=O)Nc3nn(C)cc3-c3nnn[n-]3)C2)cc1 ZINC000822241117 606165957 /nfs/dbraw/zinc/16/59/57/606165957.db2.gz LOLWXXBBRVYMDD-ZDUSSCGKSA-N -1 1 381.444 1.699 20 0 GDADMM Cc1ccc(N2CCC[C@H](NC(=O)Nc3nn(C)cc3-c3nn[n-]n3)C2)cc1 ZINC000822241117 606165958 /nfs/dbraw/zinc/16/59/58/606165958.db2.gz LOLWXXBBRVYMDD-ZDUSSCGKSA-N -1 1 381.444 1.699 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)n1 ZINC000822609054 606165967 /nfs/dbraw/zinc/16/59/67/606165967.db2.gz IMPIMTAXCWTCDR-AWEZNQCLSA-N -1 1 395.427 1.085 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)n1 ZINC000822609054 606165968 /nfs/dbraw/zinc/16/59/68/606165968.db2.gz IMPIMTAXCWTCDR-AWEZNQCLSA-N -1 1 395.427 1.085 20 0 GDADMM COc1ccc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821798710 606166894 /nfs/dbraw/zinc/16/68/94/606166894.db2.gz KTODUELRMFXNAH-UHFFFAOYSA-N -1 1 396.333 1.949 20 0 GDADMM COc1ccc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821798710 606166897 /nfs/dbraw/zinc/16/68/97/606166897.db2.gz KTODUELRMFXNAH-UHFFFAOYSA-N -1 1 396.333 1.949 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCC(=O)Nc2cccc3ccccc32)n1 ZINC000822614991 606169395 /nfs/dbraw/zinc/16/93/95/606169395.db2.gz YVSOHXCXDOQSGR-UHFFFAOYSA-N -1 1 391.395 1.514 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCC(=O)Nc2cccc3ccccc32)n1 ZINC000822614991 606169396 /nfs/dbraw/zinc/16/93/96/606169396.db2.gz YVSOHXCXDOQSGR-UHFFFAOYSA-N -1 1 391.395 1.514 20 0 GDADMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(-c4nn[nH]n4)cc3)ccc21 ZINC000363077817 606177898 /nfs/dbraw/zinc/17/78/98/606177898.db2.gz AAPVDBMBGBRCSY-UHFFFAOYSA-N -1 1 384.421 1.577 20 0 GDADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc2c(c1)N(C)CCO2 ZINC000822152683 606180699 /nfs/dbraw/zinc/18/06/99/606180699.db2.gz IQBPFOIIBLZFCV-UHFFFAOYSA-N -1 1 386.437 1.805 20 0 GDADMM O=C([O-])Cc1ccc(S(=O)(=O)Nc2cc(-c3nn[nH]n3)ccc2O)cc1 ZINC000823387211 606212204 /nfs/dbraw/zinc/21/22/04/606212204.db2.gz FOCQJGXLXWFGAD-UHFFFAOYSA-N -1 1 375.366 1.000 20 0 GDADMM O=C([O-])c1cc(S(=O)(=O)Nc2cc(-c3nn[nH]n3)ccc2O)ccc1F ZINC000823387469 606212513 /nfs/dbraw/zinc/21/25/13/606212513.db2.gz LEGBGDLYNSWGFS-UHFFFAOYSA-N -1 1 379.329 1.210 20 0 GDADMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)cc1C(=O)N(C)C ZINC000822259133 606212639 /nfs/dbraw/zinc/21/26/39/606212639.db2.gz NLCGQAJKCDKJLX-UHFFFAOYSA-N -1 1 386.437 1.678 20 0 GDADMM O=C(NN1CC(=O)[N-]C1=O)c1ccc(Sc2ccccc2-c2nn[nH]n2)cc1 ZINC000823536121 606249003 /nfs/dbraw/zinc/24/90/03/606249003.db2.gz SGTZKYIUKNPAPF-UHFFFAOYSA-N -1 1 395.404 1.215 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@H]2c3ccccc3C[C@@H]2O)cc1-c1nn[n-]n1 ZINC000821977552 606256967 /nfs/dbraw/zinc/25/69/67/606256967.db2.gz HRYRIYXMIUXKPP-STQMWFEESA-N -1 1 384.421 1.077 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H](C)CC[S@@](C)=O ZINC000822535650 606287443 /nfs/dbraw/zinc/28/74/43/606287443.db2.gz ZJDCNHWLUKKPDT-RSNKEIGGSA-N -1 1 376.442 1.446 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H](C)CC[S@@](C)=O ZINC000822535650 606287444 /nfs/dbraw/zinc/28/74/44/606287444.db2.gz ZJDCNHWLUKKPDT-RSNKEIGGSA-N -1 1 376.442 1.446 20 0 GDADMM CC(C)CNC(=O)N1CCC[C@@H](C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])C1 ZINC000820098413 606297662 /nfs/dbraw/zinc/29/76/62/606297662.db2.gz YJVPLVMXPSYAOP-CYBMUJFWSA-N -1 1 387.444 1.588 20 0 GDADMM CN1C(=O)N[C@]2(CCC[C@H]2CNc2ccc(Cl)c(-c3nnn[n-]3)n2)C1=O ZINC000821620587 606423138 /nfs/dbraw/zinc/42/31/38/606423138.db2.gz PMHOWGOIOSTQPC-AYVTZFPOSA-N -1 1 376.808 1.048 20 0 GDADMM CN1C(=O)N[C@]2(CCC[C@H]2CNc2ccc(Cl)c(-c3nn[n-]n3)n2)C1=O ZINC000821620587 606423139 /nfs/dbraw/zinc/42/31/39/606423139.db2.gz PMHOWGOIOSTQPC-AYVTZFPOSA-N -1 1 376.808 1.048 20 0 GDADMM C[C@@H](NC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)C(=O)N(C)C ZINC000736119257 606439177 /nfs/dbraw/zinc/43/91/77/606439177.db2.gz RWPBNLAOXLLIPT-LLVKDONJSA-N -1 1 399.480 1.871 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(SCc2cccc(OC(F)F)c2)n(C)c1=O ZINC000822604461 606474898 /nfs/dbraw/zinc/47/48/98/606474898.db2.gz FOGSCRMKIDQKFE-UHFFFAOYSA-N -1 1 396.379 1.158 20 0 GDADMM O=C(Nc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823356508 606501217 /nfs/dbraw/zinc/50/12/17/606501217.db2.gz NLGROBQTJAKDGW-UHFFFAOYSA-N -1 1 390.450 1.621 20 0 GDADMM O=C(Nc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823356508 606501218 /nfs/dbraw/zinc/50/12/18/606501218.db2.gz NLGROBQTJAKDGW-UHFFFAOYSA-N -1 1 390.450 1.621 20 0 GDADMM CN1CC(=O)N(c2cccc(NC(=O)c3ccc(-c4nnn[n-]4)s3)c2)C1=O ZINC000821620215 606511936 /nfs/dbraw/zinc/51/19/36/606511936.db2.gz CBJIAHWJGORGME-UHFFFAOYSA-N -1 1 383.393 1.579 20 0 GDADMM CN1CC(=O)N(c2cccc(NC(=O)c3ccc(-c4nn[n-]n4)s3)c2)C1=O ZINC000821620215 606511938 /nfs/dbraw/zinc/51/19/38/606511938.db2.gz CBJIAHWJGORGME-UHFFFAOYSA-N -1 1 383.393 1.579 20 0 GDADMM COc1cc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)cc(OC)c1Br ZINC000821703067 606532093 /nfs/dbraw/zinc/53/20/93/606532093.db2.gz NGQZBVPWNAEPBU-UHFFFAOYSA-N -1 1 394.189 1.622 20 0 GDADMM COc1cc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)cc(OC)c1Br ZINC000821703067 606532095 /nfs/dbraw/zinc/53/20/95/606532095.db2.gz NGQZBVPWNAEPBU-UHFFFAOYSA-N -1 1 394.189 1.622 20 0 GDADMM C[C@@H]1CN(C[C@@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)s2)C[C@@H](C)O1 ZINC000820750680 606534361 /nfs/dbraw/zinc/53/43/61/606534361.db2.gz CJIMVJNFLGJVBF-UPJWGTAASA-N -1 1 376.486 1.642 20 0 GDADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1nc(Cc2ccccc2)no1 ZINC000820391462 606544385 /nfs/dbraw/zinc/54/43/85/606544385.db2.gz QFUSLLAUTQHYCR-NSHDSACASA-N -1 1 376.380 1.727 20 0 GDADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1nc(Cc2ccccc2)no1 ZINC000820391462 606544387 /nfs/dbraw/zinc/54/43/87/606544387.db2.gz QFUSLLAUTQHYCR-NSHDSACASA-N -1 1 376.380 1.727 20 0 GDADMM COC(=O)[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1cc(F)ccc1F ZINC000821640255 606546034 /nfs/dbraw/zinc/54/60/34/606546034.db2.gz DSCUWXQXFFDBCN-LBPRGKRZSA-N -1 1 379.348 1.851 20 0 GDADMM COC(=O)[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1cc(F)ccc1F ZINC000821640255 606546036 /nfs/dbraw/zinc/54/60/36/606546036.db2.gz DSCUWXQXFFDBCN-LBPRGKRZSA-N -1 1 379.348 1.851 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000822535230 606548685 /nfs/dbraw/zinc/54/86/85/606548685.db2.gz KCXUXBSQPMHNRS-LLVKDONJSA-N -1 1 381.396 1.052 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000822535230 606548687 /nfs/dbraw/zinc/54/86/87/606548687.db2.gz KCXUXBSQPMHNRS-LLVKDONJSA-N -1 1 381.396 1.052 20 0 GDADMM O=C(CCCNC(=O)c1ccc(-c2nnn[n-]2)s1)N1Cc2ccccc2C1 ZINC000823187678 606559344 /nfs/dbraw/zinc/55/93/44/606559344.db2.gz NMHQLEBLZPWPOQ-UHFFFAOYSA-N -1 1 382.449 1.981 20 0 GDADMM O=C(CCCNC(=O)c1ccc(-c2nn[n-]n2)s1)N1Cc2ccccc2C1 ZINC000823187678 606559346 /nfs/dbraw/zinc/55/93/46/606559346.db2.gz NMHQLEBLZPWPOQ-UHFFFAOYSA-N -1 1 382.449 1.981 20 0 GDADMM Cc1ccc(N2CCC[C@H](N(C)C(=O)c3ccc(-c4nnn[n-]4)s3)C2)nn1 ZINC000822241451 606567039 /nfs/dbraw/zinc/56/70/39/606567039.db2.gz XDESLMPDIOZYJP-LBPRGKRZSA-N -1 1 384.469 1.768 20 0 GDADMM Cc1ccc(N2CCC[C@H](N(C)C(=O)c3ccc(-c4nn[n-]n4)s3)C2)nn1 ZINC000822241451 606567041 /nfs/dbraw/zinc/56/70/41/606567041.db2.gz XDESLMPDIOZYJP-LBPRGKRZSA-N -1 1 384.469 1.768 20 0 GDADMM CN(c1ccccc1)C1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC1 ZINC000821618910 606577639 /nfs/dbraw/zinc/57/76/39/606577639.db2.gz AVVBMKOAXKNXAN-UHFFFAOYSA-N -1 1 381.444 1.733 20 0 GDADMM CN(c1ccccc1)C1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC1 ZINC000821618910 606577641 /nfs/dbraw/zinc/57/76/41/606577641.db2.gz AVVBMKOAXKNXAN-UHFFFAOYSA-N -1 1 381.444 1.733 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)c1-c1nn[n-]n1 ZINC000821988095 606581177 /nfs/dbraw/zinc/58/11/77/606581177.db2.gz BZJMLFCHSHVPLN-SNVBAGLBSA-N -1 1 399.480 1.354 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC[C@H]2CCCO[C@H]2C(C)C)cc1-c1nn[n-]n1 ZINC000821978715 606585094 /nfs/dbraw/zinc/58/50/94/606585094.db2.gz MGBVFYXTPWTIGC-MFKMUULPSA-N -1 1 392.485 1.870 20 0 GDADMM CCOc1cc(C(=O)N(C)C)ccc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821394896 606589877 /nfs/dbraw/zinc/58/98/77/606589877.db2.gz PTYWYSAXVNTMST-UHFFFAOYSA-N -1 1 381.396 1.615 20 0 GDADMM CCOc1cc(C(=O)N(C)C)ccc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821394896 606589879 /nfs/dbraw/zinc/58/98/79/606589879.db2.gz PTYWYSAXVNTMST-UHFFFAOYSA-N -1 1 381.396 1.615 20 0 GDADMM COc1ccc(OC)c([C@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821843026 606590773 /nfs/dbraw/zinc/59/07/73/606590773.db2.gz XTTHDDIWAVHUHC-LLVKDONJSA-N -1 1 375.410 1.409 20 0 GDADMM COc1ccc(OC)c([C@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821843026 606590774 /nfs/dbraw/zinc/59/07/74/606590774.db2.gz XTTHDDIWAVHUHC-LLVKDONJSA-N -1 1 375.410 1.409 20 0 GDADMM COc1ccc(CN(CCO)C(=O)c2ccc(-c3nnn[n-]3)s2)c(OC)c1 ZINC000821794880 606595913 /nfs/dbraw/zinc/59/59/13/606595913.db2.gz OWYQBMFLUJPAAJ-UHFFFAOYSA-N -1 1 389.437 1.580 20 0 GDADMM COc1ccc(CN(CCO)C(=O)c2ccc(-c3nn[n-]n3)s2)c(OC)c1 ZINC000821794880 606595914 /nfs/dbraw/zinc/59/59/14/606595914.db2.gz OWYQBMFLUJPAAJ-UHFFFAOYSA-N -1 1 389.437 1.580 20 0 GDADMM O=C([O-])c1ccc(NS(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)cc1O ZINC000823392751 606624321 /nfs/dbraw/zinc/62/43/21/606624321.db2.gz TVHSOCHXUFMNBG-UHFFFAOYSA-N -1 1 395.784 1.725 20 0 GDADMM O=C(Nc1ccc(F)cc1)C1(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC000823337750 606649056 /nfs/dbraw/zinc/64/90/56/606649056.db2.gz RLZIKXDCKSODPD-UHFFFAOYSA-N -1 1 382.355 1.863 20 0 GDADMM O=C(Nc1ccc(F)cc1)C1(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC000823337750 606649057 /nfs/dbraw/zinc/64/90/57/606649057.db2.gz RLZIKXDCKSODPD-UHFFFAOYSA-N -1 1 382.355 1.863 20 0 GDADMM CCc1ccc(N2C[C@H](C(=O)OCc3ccnc(-c4nnn[n-]4)c3)CC2=O)cc1 ZINC000821486789 606649354 /nfs/dbraw/zinc/64/93/54/606649354.db2.gz LPVWKDDZMKTJKL-OAHLLOKOSA-N -1 1 392.419 1.920 20 0 GDADMM CCc1ccc(N2C[C@H](C(=O)OCc3ccnc(-c4nn[n-]n4)c3)CC2=O)cc1 ZINC000821486789 606649355 /nfs/dbraw/zinc/64/93/55/606649355.db2.gz LPVWKDDZMKTJKL-OAHLLOKOSA-N -1 1 392.419 1.920 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(CN2CCCC2=O)cc1 ZINC000823435878 606650047 /nfs/dbraw/zinc/65/00/47/606650047.db2.gz CFVYIQYTYVFHBV-UHFFFAOYSA-N -1 1 378.392 1.741 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(CN2CCCC2=O)cc1 ZINC000823435878 606650048 /nfs/dbraw/zinc/65/00/48/606650048.db2.gz CFVYIQYTYVFHBV-UHFFFAOYSA-N -1 1 378.392 1.741 20 0 GDADMM CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)OCc2ccnc(-c3nnn[n-]3)c2)C1 ZINC000819940331 606650074 /nfs/dbraw/zinc/65/00/74/606650074.db2.gz XLNAKDYYTFCXMY-OLZOCXBDSA-N -1 1 388.428 1.998 20 0 GDADMM CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)OCc2ccnc(-c3nn[n-]n3)c2)C1 ZINC000819940331 606650075 /nfs/dbraw/zinc/65/00/75/606650075.db2.gz XLNAKDYYTFCXMY-OLZOCXBDSA-N -1 1 388.428 1.998 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000823436333 606650122 /nfs/dbraw/zinc/65/01/22/606650122.db2.gz QJNBYDYKDQVBHI-KBPBESRZSA-N -1 1 379.376 1.880 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000823436333 606650123 /nfs/dbraw/zinc/65/01/23/606650123.db2.gz QJNBYDYKDQVBHI-KBPBESRZSA-N -1 1 379.376 1.880 20 0 GDADMM Cc1ccc(N2C[C@H](C(=O)OCc3ccnc(-c4nnn[n-]4)c3)CC2=O)cc1F ZINC000822241439 606650647 /nfs/dbraw/zinc/65/06/47/606650647.db2.gz WTOWDOHJFRPETP-CYBMUJFWSA-N -1 1 396.382 1.806 20 0 GDADMM Cc1ccc(N2C[C@H](C(=O)OCc3ccnc(-c4nn[n-]n4)c3)CC2=O)cc1F ZINC000822241439 606650648 /nfs/dbraw/zinc/65/06/48/606650648.db2.gz WTOWDOHJFRPETP-CYBMUJFWSA-N -1 1 396.382 1.806 20 0 GDADMM Cc1cccc(N2C[C@@H](C(=O)OCc3ccnc(-c4nnn[n-]4)c3)CC2=O)c1C ZINC000822308509 606653010 /nfs/dbraw/zinc/65/30/10/606653010.db2.gz GBMUYYCKZLLSOA-HNNXBMFYSA-N -1 1 392.419 1.975 20 0 GDADMM Cc1cccc(N2C[C@@H](C(=O)OCc3ccnc(-c4nn[n-]n4)c3)CC2=O)c1C ZINC000822308509 606653011 /nfs/dbraw/zinc/65/30/11/606653011.db2.gz GBMUYYCKZLLSOA-HNNXBMFYSA-N -1 1 392.419 1.975 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)Nc2nnc3cc(C)ccn32)cc1-c1nn[n-]n1 ZINC000821979602 606702276 /nfs/dbraw/zinc/70/22/76/606702276.db2.gz UIOQJSCBXIHTKX-UHFFFAOYSA-N -1 1 383.397 1.293 20 0 GDADMM Cn1cc([C@]2(C)CN(c3c4ccccc4nnc3-c3nnn[n-]3)CCO2)cn1 ZINC000822674608 606730073 /nfs/dbraw/zinc/73/00/73/606730073.db2.gz XWXBLKYHFZWBHR-SFHVURJKSA-N -1 1 377.412 1.295 20 0 GDADMM Cn1cc([C@]2(C)CN(c3c4ccccc4nnc3-c3nn[n-]n3)CCO2)cn1 ZINC000822674608 606730074 /nfs/dbraw/zinc/73/00/74/606730074.db2.gz XWXBLKYHFZWBHR-SFHVURJKSA-N -1 1 377.412 1.295 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCO[C@@H](c2cccs2)C1 ZINC000823605912 606738812 /nfs/dbraw/zinc/73/88/12/606738812.db2.gz CWWXMMSRXDJCQS-GFCCVEGCSA-N -1 1 395.441 1.830 20 0 GDADMM CCC1(CNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)CCCC1 ZINC000820962279 606747086 /nfs/dbraw/zinc/74/70/86/606747086.db2.gz MRLSHUUPTOPYSI-AWEZNQCLSA-N -1 1 399.503 1.847 20 0 GDADMM CCC1(CNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)CCCC1 ZINC000820962279 606747088 /nfs/dbraw/zinc/74/70/88/606747088.db2.gz MRLSHUUPTOPYSI-AWEZNQCLSA-N -1 1 399.503 1.847 20 0 GDADMM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1 ZINC000822182946 606763242 /nfs/dbraw/zinc/76/32/42/606763242.db2.gz FNOMELINPFQPIL-UHFFFAOYSA-N -1 1 377.357 1.813 20 0 GDADMM Cc1ccc(NC(=S)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cc1 ZINC000822255316 606765158 /nfs/dbraw/zinc/76/51/58/606765158.db2.gz YYYHPFCTGIYLBC-CYBMUJFWSA-N -1 1 395.496 1.873 20 0 GDADMM Cc1ccc(NC(=S)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cc1 ZINC000822255316 606765161 /nfs/dbraw/zinc/76/51/61/606765161.db2.gz YYYHPFCTGIYLBC-CYBMUJFWSA-N -1 1 395.496 1.873 20 0 GDADMM Cc1cccc(NC(=S)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1 ZINC000822324230 606765467 /nfs/dbraw/zinc/76/54/67/606765467.db2.gz XVNWPHKAMQFFFK-ZDUSSCGKSA-N -1 1 395.496 1.873 20 0 GDADMM Cc1cccc(NC(=S)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1 ZINC000822324230 606765469 /nfs/dbraw/zinc/76/54/69/606765469.db2.gz XVNWPHKAMQFFFK-ZDUSSCGKSA-N -1 1 395.496 1.873 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCC1(CCO)CCCC1 ZINC000822004852 606768971 /nfs/dbraw/zinc/76/89/71/606768971.db2.gz LUMHOKHKUJMVIP-UHFFFAOYSA-N -1 1 388.472 1.576 20 0 GDADMM COC(=O)c1cc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c(C)o1 ZINC000821667040 606781553 /nfs/dbraw/zinc/78/15/53/606781553.db2.gz RIOFSSVROSAXLP-LLVKDONJSA-N -1 1 398.427 1.055 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1nnc(-c2ccco2)o1 ZINC000820803768 606785620 /nfs/dbraw/zinc/78/56/20/606785620.db2.gz GZGSIQXXBOGGRP-NSHDSACASA-N -1 1 394.399 1.010 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1nnc(-c2ccco2)o1 ZINC000820803768 606785622 /nfs/dbraw/zinc/78/56/22/606785622.db2.gz GZGSIQXXBOGGRP-NSHDSACASA-N -1 1 394.399 1.010 20 0 GDADMM Cc1ccc(CCNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)o1 ZINC000822236073 606787815 /nfs/dbraw/zinc/78/78/15/606787815.db2.gz IRFZBQDGJZERQR-GFCCVEGCSA-N -1 1 397.443 1.021 20 0 GDADMM Cc1ccc(CCNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)o1 ZINC000822236073 606787816 /nfs/dbraw/zinc/78/78/16/606787816.db2.gz IRFZBQDGJZERQR-GFCCVEGCSA-N -1 1 397.443 1.021 20 0 GDADMM CC[C@H](C)C[C@@H](C)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820870148 606794492 /nfs/dbraw/zinc/79/44/92/606794492.db2.gz NVUUTLUCEQOPNP-BFHYXJOUSA-N -1 1 387.492 1.702 20 0 GDADMM CC[C@H](C)C[C@@H](C)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820870148 606794493 /nfs/dbraw/zinc/79/44/93/606794493.db2.gz NVUUTLUCEQOPNP-BFHYXJOUSA-N -1 1 387.492 1.702 20 0 GDADMM O=C(NCc1cc2c(cc1OC(F)F)OCO2)c1ccc(-c2nnn[n-]2)nc1 ZINC000823241923 606812227 /nfs/dbraw/zinc/81/22/27/606812227.db2.gz KDVUSPCJYMWBCY-UHFFFAOYSA-N -1 1 390.306 1.522 20 0 GDADMM O=C(NCc1cc2c(cc1OC(F)F)OCO2)c1ccc(-c2nn[n-]n2)nc1 ZINC000823241923 606812229 /nfs/dbraw/zinc/81/22/29/606812229.db2.gz KDVUSPCJYMWBCY-UHFFFAOYSA-N -1 1 390.306 1.522 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cnc(C2CC2)s1 ZINC000820788381 606819996 /nfs/dbraw/zinc/81/99/96/606819996.db2.gz FVOZSFNXEKUDPJ-JTQLQIEISA-N -1 1 397.468 1.342 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cnc(C2CC2)s1 ZINC000820788381 606819997 /nfs/dbraw/zinc/81/99/97/606819997.db2.gz FVOZSFNXEKUDPJ-JTQLQIEISA-N -1 1 397.468 1.342 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CC[C@H]1CCCCO1 ZINC000820778498 606821943 /nfs/dbraw/zinc/82/19/43/606821943.db2.gz XSRQCAIQMFJHLR-ZIAGYGMSSA-N -1 1 386.460 1.043 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CC[C@H]1CCCCO1 ZINC000820778498 606821945 /nfs/dbraw/zinc/82/19/45/606821945.db2.gz XSRQCAIQMFJHLR-ZIAGYGMSSA-N -1 1 386.460 1.043 20 0 GDADMM C[C@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1ccccc1F ZINC000819856984 606822659 /nfs/dbraw/zinc/82/26/59/606822659.db2.gz NTFMOSHRDUKDSR-OLZOCXBDSA-N -1 1 396.430 1.637 20 0 GDADMM C[C@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1ccccc1F ZINC000819856984 606822661 /nfs/dbraw/zinc/82/26/61/606822661.db2.gz NTFMOSHRDUKDSR-OLZOCXBDSA-N -1 1 396.430 1.637 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1ccccc1O ZINC000820774957 606830870 /nfs/dbraw/zinc/83/08/70/606830870.db2.gz HIEGGNCXSRXZLY-CYBMUJFWSA-N -1 1 394.439 1.032 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1ccccc1O ZINC000820774957 606830872 /nfs/dbraw/zinc/83/08/72/606830872.db2.gz HIEGGNCXSRXZLY-CYBMUJFWSA-N -1 1 394.439 1.032 20 0 GDADMM COc1ccccc1N1CC[C@H](NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC000821897997 606836083 /nfs/dbraw/zinc/83/60/83/606836083.db2.gz LVBJPPLSBQZWBH-NSHDSACASA-N -1 1 383.416 1.009 20 0 GDADMM COc1ccccc1N1CC[C@H](NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC000821897997 606836084 /nfs/dbraw/zinc/83/60/84/606836084.db2.gz LVBJPPLSBQZWBH-NSHDSACASA-N -1 1 383.416 1.009 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@H](C(F)(F)F)C1 ZINC000823606487 606841648 /nfs/dbraw/zinc/84/16/48/606841648.db2.gz IQGKVDVIFASUOU-QMMMGPOBSA-N -1 1 379.339 1.969 20 0 GDADMM CCCN(C[C@@H]1CCCCO1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821094443 606844026 /nfs/dbraw/zinc/84/40/26/606844026.db2.gz JMHQFLUVHCHIIF-ZDUSSCGKSA-N -1 1 383.449 1.976 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000823606246 606847585 /nfs/dbraw/zinc/84/75/85/606847585.db2.gz HHKKIFKGBKKNEL-RYUDHWBXSA-N -1 1 399.860 1.089 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000823606246 606847587 /nfs/dbraw/zinc/84/75/87/606847587.db2.gz HHKKIFKGBKKNEL-RYUDHWBXSA-N -1 1 399.860 1.089 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N[C@@H]1CCCCC1(C)C ZINC000820788913 606873722 /nfs/dbraw/zinc/87/37/22/606873722.db2.gz RCRWZXPOYCJBPV-UONOGXRCSA-N -1 1 399.503 1.846 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N[C@@H]1CCCCC1(C)C ZINC000820788913 606873724 /nfs/dbraw/zinc/87/37/24/606873724.db2.gz RCRWZXPOYCJBPV-UONOGXRCSA-N -1 1 399.503 1.846 20 0 GDADMM CCO[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C12CCC2 ZINC000821359675 606874845 /nfs/dbraw/zinc/87/48/45/606874845.db2.gz ORYHGQWVMYBIRN-KBPBESRZSA-N -1 1 378.458 1.230 20 0 GDADMM CCO[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C12CCC2 ZINC000821359675 606874846 /nfs/dbraw/zinc/87/48/46/606874846.db2.gz ORYHGQWVMYBIRN-KBPBESRZSA-N -1 1 378.458 1.230 20 0 GDADMM COCc1nc2n(n1)C[C@H](Nc1cc(-c3nnn[n-]3)nc3ccccc31)CC2 ZINC000821697033 606878265 /nfs/dbraw/zinc/87/82/65/606878265.db2.gz YMWMXMYSLRAPLP-LLVKDONJSA-N -1 1 377.412 1.580 20 0 GDADMM COCc1nc2n(n1)C[C@H](Nc1cc(-c3nn[n-]n3)nc3ccccc31)CC2 ZINC000821697033 606878266 /nfs/dbraw/zinc/87/82/66/606878266.db2.gz YMWMXMYSLRAPLP-LLVKDONJSA-N -1 1 377.412 1.580 20 0 GDADMM CN(Cc1cc(Cl)cn1C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000821607382 606895818 /nfs/dbraw/zinc/89/58/18/606895818.db2.gz MHTXHHBVJUTZED-UHFFFAOYSA-N -1 1 384.824 1.818 20 0 GDADMM CN(Cc1cc(Cl)cn1C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000821607382 606895820 /nfs/dbraw/zinc/89/58/20/606895820.db2.gz MHTXHHBVJUTZED-UHFFFAOYSA-N -1 1 384.824 1.818 20 0 GDADMM COc1cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)ccc1F ZINC000821702997 606923322 /nfs/dbraw/zinc/92/33/22/606923322.db2.gz JYYLRYWIXVGDJU-NSHDSACASA-N -1 1 398.402 1.155 20 0 GDADMM COc1cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)ccc1F ZINC000821702997 606923324 /nfs/dbraw/zinc/92/33/24/606923324.db2.gz JYYLRYWIXVGDJU-NSHDSACASA-N -1 1 398.402 1.155 20 0 GDADMM CC(=O)c1cccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1 ZINC000819844670 607061782 /nfs/dbraw/zinc/06/17/82/607061782.db2.gz KPBHUIXEZPBEOT-GFCCVEGCSA-N -1 1 392.423 1.210 20 0 GDADMM CC(=O)c1cccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1 ZINC000819844670 607061784 /nfs/dbraw/zinc/06/17/84/607061784.db2.gz KPBHUIXEZPBEOT-GFCCVEGCSA-N -1 1 392.423 1.210 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)Nc1ccc(F)nc1 ZINC000822458939 607100102 /nfs/dbraw/zinc/10/01/02/607100102.db2.gz JSSYJXFPZJGSAI-UHFFFAOYSA-N -1 1 381.375 1.632 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)Nc1ccc(F)nc1 ZINC000822458939 607100104 /nfs/dbraw/zinc/10/01/04/607100104.db2.gz JSSYJXFPZJGSAI-UHFFFAOYSA-N -1 1 381.375 1.632 20 0 GDADMM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@H](c2ccsc2)O1 ZINC000820768031 607127464 /nfs/dbraw/zinc/12/74/64/607127464.db2.gz LEXFWFRIMLMYNQ-IINYFYTJSA-N -1 1 392.466 1.474 20 0 GDADMM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@H](c2ccsc2)O1 ZINC000820768031 607127465 /nfs/dbraw/zinc/12/74/65/607127465.db2.gz LEXFWFRIMLMYNQ-IINYFYTJSA-N -1 1 392.466 1.474 20 0 GDADMM COC(=O)[C@]1(C)CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000821651600 607129286 /nfs/dbraw/zinc/12/92/86/607129286.db2.gz CCHVJEOZVOGUAZ-CQSZACIVSA-N -1 1 385.833 1.094 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N(C)[C@@H](C)C(=O)OC(C)C)cc1-c1nn[n-]n1 ZINC000821970998 607144389 /nfs/dbraw/zinc/14/43/89/607144389.db2.gz VFENIHVZVPQNTB-QMMMGPOBSA-N -1 1 380.430 1.101 20 0 GDADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N(C)CC2 ZINC000822153648 607155413 /nfs/dbraw/zinc/15/54/13/607155413.db2.gz OCHZUNDAUIVBPB-UHFFFAOYSA-N -1 1 398.448 1.604 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCc2nc(C3CC3)cs2)cc1-c1nn[n-]n1 ZINC000821978311 607159934 /nfs/dbraw/zinc/15/99/34/607159934.db2.gz LMMRRSINXXIYTL-UHFFFAOYSA-N -1 1 389.466 1.953 20 0 GDADMM CCc1nnc(SCc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)n1N ZINC000821548718 607169696 /nfs/dbraw/zinc/16/96/96/607169696.db2.gz VFCXXDPCOOKWBR-UHFFFAOYSA-N -1 1 382.457 1.521 20 0 GDADMM Cc1cnc(CN(C)[C@@H]2CCN(c3c4ccccc4nnc3-c3nnn[n-]3)C2)o1 ZINC000822389249 607174856 /nfs/dbraw/zinc/17/48/56/607174856.db2.gz PYLLWCKJAKLKSW-CYBMUJFWSA-N -1 1 391.439 1.817 20 0 GDADMM CS[C@H](CO)[C@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000821948203 607186697 /nfs/dbraw/zinc/18/66/97/607186697.db2.gz BFHGQZNVRMYVOY-GXSJLCMTSA-N -1 1 376.442 1.401 20 0 GDADMM CS[C@H](CO)[C@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000821948203 607186698 /nfs/dbraw/zinc/18/66/98/607186698.db2.gz BFHGQZNVRMYVOY-GXSJLCMTSA-N -1 1 376.442 1.401 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000823132056 607206732 /nfs/dbraw/zinc/20/67/32/607206732.db2.gz XJFKOMDUEUUWGJ-UHFFFAOYSA-N -1 1 387.835 1.741 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000823131671 607207796 /nfs/dbraw/zinc/20/77/96/607207796.db2.gz LRYVPALJBCSRTC-UHFFFAOYSA-N -1 1 377.368 1.629 20 0 GDADMM COc1ccccc1C1(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)CCCC1 ZINC000821890310 607209462 /nfs/dbraw/zinc/20/94/62/607209462.db2.gz LSRCASKLHJGXNC-UHFFFAOYSA-N -1 1 382.428 1.095 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccc(COc2ccccc2)c1 ZINC000823135938 607209841 /nfs/dbraw/zinc/20/98/41/607209841.db2.gz BGCPXDAJCMHPJO-UHFFFAOYSA-N -1 1 376.380 1.676 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000823123056 607211555 /nfs/dbraw/zinc/21/15/55/607211555.db2.gz MDXFKEPCBTWBAR-UHFFFAOYSA-N -1 1 377.412 1.346 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1ccccc1Sc1ccccc1 ZINC000823131977 607215543 /nfs/dbraw/zinc/21/55/43/607215543.db2.gz SZKZLESIGTURLW-UHFFFAOYSA-N -1 1 392.448 1.926 20 0 GDADMM Cc1ccccc1C1CC(N(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C2CC2)C1 ZINC000822352349 607219793 /nfs/dbraw/zinc/21/97/93/607219793.db2.gz XNXKJENRGWDAGO-UHFFFAOYSA-N -1 1 378.440 1.704 20 0 GDADMM CC[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1nc(C(F)(F)F)cs1 ZINC000820915702 607220904 /nfs/dbraw/zinc/22/09/04/607220904.db2.gz WQRHZSVOUVWOPN-LURJTMIESA-N -1 1 387.351 1.201 20 0 GDADMM C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(OCC2CC2)c(F)c1 ZINC000820333384 607223619 /nfs/dbraw/zinc/22/36/19/607223619.db2.gz AJZZTIAZFWISHZ-JTQLQIEISA-N -1 1 386.391 1.264 20 0 GDADMM COCCC1(CNC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)CC1 ZINC000821686517 607228701 /nfs/dbraw/zinc/22/87/01/607228701.db2.gz UESVVPWMVMAVAL-UHFFFAOYSA-N -1 1 398.471 1.392 20 0 GDADMM COCCC1(CNC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)CC1 ZINC000821686517 607228702 /nfs/dbraw/zinc/22/87/02/607228702.db2.gz UESVVPWMVMAVAL-UHFFFAOYSA-N -1 1 398.471 1.392 20 0 GDADMM CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825122429 607775083 /nfs/dbraw/zinc/77/50/83/607775083.db2.gz ZLTMTPDNDORUAZ-CYBMUJFWSA-N -1 1 386.437 1.244 20 0 GDADMM CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825122429 607775084 /nfs/dbraw/zinc/77/50/84/607775084.db2.gz ZLTMTPDNDORUAZ-CYBMUJFWSA-N -1 1 386.437 1.244 20 0 GDADMM CCc1noc(C)c1NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000825771047 607861155 /nfs/dbraw/zinc/86/11/55/607861155.db2.gz HVFQVHUBGKWPET-UHFFFAOYSA-N -1 1 395.427 1.956 20 0 GDADMM CCc1noc(C)c1NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000825771047 607861156 /nfs/dbraw/zinc/86/11/56/607861156.db2.gz HVFQVHUBGKWPET-UHFFFAOYSA-N -1 1 395.427 1.956 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N(C)C[C@@H]1CCC[C@H]1O ZINC000826327393 607863171 /nfs/dbraw/zinc/86/31/71/607863171.db2.gz GDQAJMIXBVRGOM-XJKSGUPXSA-N -1 1 398.471 1.078 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N(C)C[C@@H]1CCC[C@H]1O ZINC000826327393 607863172 /nfs/dbraw/zinc/86/31/72/607863172.db2.gz GDQAJMIXBVRGOM-XJKSGUPXSA-N -1 1 398.471 1.078 20 0 GDADMM Cc1ccccc1[C@H](OC[C@@H](O)Cn1cnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000826305667 607869131 /nfs/dbraw/zinc/86/91/31/607869131.db2.gz FAKQKBNKAUJYMU-FUHWJXTLSA-N -1 1 391.435 1.934 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@@H](C)[C@@H]2COc3ccccc32)cc1-c1nn[n-]n1 ZINC000826229987 607870172 /nfs/dbraw/zinc/87/01/72/607870172.db2.gz ZGNFGIUHPSYXGM-ZANVPECISA-N -1 1 398.448 1.984 20 0 GDADMM CNc1nc(C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)cs1 ZINC000826090004 607915026 /nfs/dbraw/zinc/91/50/26/607915026.db2.gz BPYLUCYBNHUBQF-UHFFFAOYSA-N -1 1 377.386 1.370 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CCC[C@H]3COCC[C@@H]32)cc1-c1nn[n-]n1 ZINC000826229915 607928732 /nfs/dbraw/zinc/92/87/32/607928732.db2.gz WRTFMQRIPBRUOC-CABZTGNLSA-N -1 1 376.442 1.330 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CCC[C@H]3COCC[C@H]32)cc1-c1nn[n-]n1 ZINC000826229916 607928785 /nfs/dbraw/zinc/92/87/85/607928785.db2.gz WRTFMQRIPBRUOC-JOYOIKCWSA-N -1 1 376.442 1.330 20 0 GDADMM COCCn1c2ccc(S(C)(=O)=O)cc2nc1-c1ccc(-c2nnn[n-]2)o1 ZINC000826163111 607976083 /nfs/dbraw/zinc/97/60/83/607976083.db2.gz HCPOHOPMVPSNFI-UHFFFAOYSA-N -1 1 388.409 1.526 20 0 GDADMM COCCn1c2ccc(S(C)(=O)=O)cc2nc1-c1ccc(-c2nn[n-]n2)o1 ZINC000826163111 607976084 /nfs/dbraw/zinc/97/60/84/607976084.db2.gz HCPOHOPMVPSNFI-UHFFFAOYSA-N -1 1 388.409 1.526 20 0 GDADMM COc1cc([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1OCCO ZINC000826177747 607994407 /nfs/dbraw/zinc/99/44/07/607994407.db2.gz SYJRBANOPRXBID-SNVBAGLBSA-N -1 1 389.437 1.799 20 0 GDADMM COc1cc([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1OCCO ZINC000826177747 607994408 /nfs/dbraw/zinc/99/44/08/607994408.db2.gz SYJRBANOPRXBID-SNVBAGLBSA-N -1 1 389.437 1.799 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCC(CCO)CC1 ZINC000826328431 607996215 /nfs/dbraw/zinc/99/62/15/607996215.db2.gz RCBWENZZJVZHAF-UHFFFAOYSA-N -1 1 398.471 1.080 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCC(CCO)CC1 ZINC000826328431 607996216 /nfs/dbraw/zinc/99/62/16/607996216.db2.gz RCBWENZZJVZHAF-UHFFFAOYSA-N -1 1 398.471 1.080 20 0 GDADMM COC(=O)[C@H]1CCCC[C@]1(C)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826134587 608000771 /nfs/dbraw/zinc/00/07/71/608000771.db2.gz YYWSPBJUIAFATE-HWPZZCPQSA-N -1 1 397.432 1.406 20 0 GDADMM COC(=O)[C@H]1CCCC[C@]1(C)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826134587 608000772 /nfs/dbraw/zinc/00/07/72/608000772.db2.gz YYWSPBJUIAFATE-HWPZZCPQSA-N -1 1 397.432 1.406 20 0 GDADMM COc1ccc(NC(=O)c2nnc(Cn3ccnc3-c3nnn[n-]3)s2)cc1 ZINC000826209651 608012670 /nfs/dbraw/zinc/01/26/70/608012670.db2.gz KSPSGFJSNPRMNL-UHFFFAOYSA-N -1 1 383.397 1.224 20 0 GDADMM COc1ccc(NC(=O)c2nnc(Cn3ccnc3-c3nn[n-]n3)s2)cc1 ZINC000826209651 608012671 /nfs/dbraw/zinc/01/26/71/608012671.db2.gz KSPSGFJSNPRMNL-UHFFFAOYSA-N -1 1 383.397 1.224 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCCC[C@@H]2CCc2ccccc2)n(C)c1=O ZINC000826355790 608019047 /nfs/dbraw/zinc/01/90/47/608019047.db2.gz NHRQANINTKILPY-OAHLLOKOSA-N -1 1 395.467 1.256 20 0 GDADMM C[C@H](NC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1)c1ccc[nH]1 ZINC000824491570 608024170 /nfs/dbraw/zinc/02/41/70/608024170.db2.gz VAOQYEVEHFDZTB-NSHDSACASA-N -1 1 397.443 1.653 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1noc(C2CCCCC2)n1 ZINC000825937436 608035867 /nfs/dbraw/zinc/03/58/67/608035867.db2.gz DSZVILAFJVQWBC-UHFFFAOYSA-N -1 1 386.464 1.667 20 0 GDADMM O=C(NCc1nnc2n1CCC[C@@H]2C(F)(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC000826444261 608038366 /nfs/dbraw/zinc/03/83/66/608038366.db2.gz YLMBYVCNRCVGCO-VIFPVBQESA-N -1 1 393.333 1.223 20 0 GDADMM O=C(NCc1nnc2n1CCC[C@@H]2C(F)(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC000826444261 608038367 /nfs/dbraw/zinc/03/83/67/608038367.db2.gz YLMBYVCNRCVGCO-VIFPVBQESA-N -1 1 393.333 1.223 20 0 GDADMM Cc1cnc2c(c1)N(S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)CCO2 ZINC000826319129 608055681 /nfs/dbraw/zinc/05/56/81/608055681.db2.gz PILGCBXUNVZMJQ-UHFFFAOYSA-N -1 1 376.373 1.297 20 0 GDADMM Cc1cnc2c(c1)N(S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)CCO2 ZINC000826319129 608055682 /nfs/dbraw/zinc/05/56/82/608055682.db2.gz PILGCBXUNVZMJQ-UHFFFAOYSA-N -1 1 376.373 1.297 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)O[C@@H]1CC(=O)N(C2CC2)C1 ZINC000826340596 608076525 /nfs/dbraw/zinc/07/65/25/608076525.db2.gz DMYOVWGGJVFKGW-GFCCVEGCSA-N -1 1 382.380 1.479 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)O[C@@H]1CC(=O)N(C2CC2)C1 ZINC000826340596 608076526 /nfs/dbraw/zinc/07/65/26/608076526.db2.gz DMYOVWGGJVFKGW-GFCCVEGCSA-N -1 1 382.380 1.479 20 0 GDADMM CC(C)C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC000820102707 608106110 /nfs/dbraw/zinc/10/61/10/608106110.db2.gz HRSFQCAELNHTNC-LLVKDONJSA-N -1 1 378.437 1.478 20 0 GDADMM CC(C)C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC000820102707 608106111 /nfs/dbraw/zinc/10/61/11/608106111.db2.gz HRSFQCAELNHTNC-LLVKDONJSA-N -1 1 378.437 1.478 20 0 GDADMM CC(C)OCCOC[C@@H](O)CN(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC000824315159 608178665 /nfs/dbraw/zinc/17/86/65/608178665.db2.gz LZDRDLJBVVATEH-VIFPVBQESA-N -1 1 376.870 1.215 20 0 GDADMM CC(C)OCCOC[C@@H](O)CN(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC000824315159 608178666 /nfs/dbraw/zinc/17/86/66/608178666.db2.gz LZDRDLJBVVATEH-VIFPVBQESA-N -1 1 376.870 1.215 20 0 GDADMM Cc1ccccc1[C@@H](CO)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000826306236 608186489 /nfs/dbraw/zinc/18/64/89/608186489.db2.gz TWBBVGOPRALLQM-MRXNPFEDSA-N -1 1 396.451 1.675 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1coc(Br)c1 ZINC000825933393 608211299 /nfs/dbraw/zinc/21/12/99/608211299.db2.gz CYORAJCMNJJKNG-UHFFFAOYSA-N -1 1 395.221 1.232 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1coc(Br)c1 ZINC000825933393 608211300 /nfs/dbraw/zinc/21/13/00/608211300.db2.gz CYORAJCMNJJKNG-UHFFFAOYSA-N -1 1 395.221 1.232 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@@H]1SCCc2ccccc21 ZINC000825923732 608211510 /nfs/dbraw/zinc/21/15/10/608211510.db2.gz TUVFUMHQFVZAIG-OAHLLOKOSA-N -1 1 398.496 1.594 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@@H]1SCCc2ccccc21 ZINC000825923732 608211511 /nfs/dbraw/zinc/21/15/11/608211511.db2.gz TUVFUMHQFVZAIG-OAHLLOKOSA-N -1 1 398.496 1.594 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CCc1cc(F)ccc1F ZINC000825923575 608211743 /nfs/dbraw/zinc/21/17/43/608211743.db2.gz MNPYDYKFPFROFS-UHFFFAOYSA-N -1 1 390.398 1.474 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CCc1cc(F)ccc1F ZINC000825923575 608211744 /nfs/dbraw/zinc/21/17/44/608211744.db2.gz MNPYDYKFPFROFS-UHFFFAOYSA-N -1 1 390.398 1.474 20 0 GDADMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2c(F)cccc2Br)c1=O ZINC000825796274 608218505 /nfs/dbraw/zinc/21/85/05/608218505.db2.gz BEWKWHBWAVZTNL-UHFFFAOYSA-N -1 1 395.192 1.160 20 0 GDADMM CC(C)(C)c1nc(CCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cs1 ZINC000824141588 608237237 /nfs/dbraw/zinc/23/72/37/608237237.db2.gz KKUBRKWHQDZVFA-UHFFFAOYSA-N -1 1 393.498 1.537 20 0 GDADMM CC(C)(C)c1nc(CCNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cs1 ZINC000824141588 608237239 /nfs/dbraw/zinc/23/72/39/608237239.db2.gz KKUBRKWHQDZVFA-UHFFFAOYSA-N -1 1 393.498 1.537 20 0 GDADMM CCCCn1cc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c(C)n1 ZINC000825301152 608302650 /nfs/dbraw/zinc/30/26/50/608302650.db2.gz IFSFZWDONXWZSV-UHFFFAOYSA-N -1 1 393.448 1.789 20 0 GDADMM Cc1nn(-c2ccccc2)c(CN2CCn3c(C)nnc3C2)c1-c1nn[n-]n1 ZINC000826331922 608312261 /nfs/dbraw/zinc/31/22/61/608312261.db2.gz DCYFUDCAJZHBPP-UHFFFAOYSA-N -1 1 376.428 1.277 20 0 GDADMM Cc1nn(-c2ccccc2)c(CN2CC[S@](=O)[C@H](C)[C@H]2C)c1-c1nn[n-]n1 ZINC000826332307 608314603 /nfs/dbraw/zinc/31/46/03/608314603.db2.gz PQVGBYQROSMUJA-ZRBXUZRCSA-N -1 1 385.497 1.702 20 0 GDADMM Cc1scc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1C ZINC000826350411 608316027 /nfs/dbraw/zinc/31/60/27/608316027.db2.gz VDIWRLLYRICNFO-SNVBAGLBSA-N -1 1 384.469 1.686 20 0 GDADMM Cc1scc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1C ZINC000826350411 608316029 /nfs/dbraw/zinc/31/60/29/608316029.db2.gz VDIWRLLYRICNFO-SNVBAGLBSA-N -1 1 384.469 1.686 20 0 GDADMM CCOC(=O)[C@H](CC1CC1)[N-]S(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000825485308 608337620 /nfs/dbraw/zinc/33/76/20/608337620.db2.gz GDRFLWJLFIZOBB-AWEZNQCLSA-N -1 1 397.432 1.157 20 0 GDADMM C[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)[C@@H]1C ZINC000824928808 608338265 /nfs/dbraw/zinc/33/82/65/608338265.db2.gz UUXKGSJXEJLIAT-NQBHXWOUSA-N -1 1 388.476 1.698 20 0 GDADMM C[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)[C@@H]1C ZINC000824928808 608338266 /nfs/dbraw/zinc/33/82/66/608338266.db2.gz UUXKGSJXEJLIAT-NQBHXWOUSA-N -1 1 388.476 1.698 20 0 GDADMM Cc1ccccc1CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826306693 608340823 /nfs/dbraw/zinc/34/08/23/608340823.db2.gz IBUWJEXCWXICTC-UHFFFAOYSA-N -1 1 396.455 1.424 20 0 GDADMM Cc1ccccc1CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826306693 608340825 /nfs/dbraw/zinc/34/08/25/608340825.db2.gz IBUWJEXCWXICTC-UHFFFAOYSA-N -1 1 396.455 1.424 20 0 GDADMM CC(C)CSCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824274068 608358078 /nfs/dbraw/zinc/35/80/78/608358078.db2.gz CVARBFNHCMLWIA-UHFFFAOYSA-N -1 1 394.505 1.262 20 0 GDADMM CC(C)CSCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824274068 608358080 /nfs/dbraw/zinc/35/80/80/608358080.db2.gz CVARBFNHCMLWIA-UHFFFAOYSA-N -1 1 394.505 1.262 20 0 GDADMM CCOc1cncc(N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)n1 ZINC000825659033 608365068 /nfs/dbraw/zinc/36/50/68/608365068.db2.gz MZPQVUUCVCVFNG-UHFFFAOYSA-N -1 1 383.416 1.247 20 0 GDADMM CC(C)NS(=O)(=O)Cc1ccccc1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000824305490 608392710 /nfs/dbraw/zinc/39/27/10/608392710.db2.gz RBXNFENOXSBOCU-UHFFFAOYSA-N -1 1 388.457 1.097 20 0 GDADMM CC(C)NS(=O)(=O)Cc1ccccc1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000824305490 608392712 /nfs/dbraw/zinc/39/27/12/608392712.db2.gz RBXNFENOXSBOCU-UHFFFAOYSA-N -1 1 388.457 1.097 20 0 GDADMM CC(C)CNS(=O)(=O)c1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000824266238 608438094 /nfs/dbraw/zinc/43/80/94/608438094.db2.gz HQBMMULYGDSNMN-UHFFFAOYSA-N -1 1 388.457 1.203 20 0 GDADMM CC(C)CNS(=O)(=O)c1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000824266238 608438096 /nfs/dbraw/zinc/43/80/96/608438096.db2.gz HQBMMULYGDSNMN-UHFFFAOYSA-N -1 1 388.457 1.203 20 0 GDADMM O=C(c1c(Cl)cc(-c2nn[nH]n2)cc1Cl)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000826468682 608554626 /nfs/dbraw/zinc/55/46/26/608554626.db2.gz CSEMVFFZVDZVJP-ZETCQYMHSA-N -1 1 394.226 1.706 20 0 GDADMM C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824772620 608556413 /nfs/dbraw/zinc/55/64/13/608556413.db2.gz VSVZSKMXQOAPQF-HXPMCKFVSA-N -1 1 398.471 1.118 20 0 GDADMM C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824772620 608556414 /nfs/dbraw/zinc/55/64/14/608556414.db2.gz VSVZSKMXQOAPQF-HXPMCKFVSA-N -1 1 398.471 1.118 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)COC/C=C/c1ccccc1 ZINC000825930087 608556905 /nfs/dbraw/zinc/55/69/05/608556905.db2.gz PMZNJVQTERBUEM-RMKNXTFCSA-N -1 1 396.455 1.293 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)COC/C=C/c1ccccc1 ZINC000825930087 608556907 /nfs/dbraw/zinc/55/69/07/608556907.db2.gz PMZNJVQTERBUEM-RMKNXTFCSA-N -1 1 396.455 1.293 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CCOCc1ccccc1 ZINC000825923312 608558910 /nfs/dbraw/zinc/55/89/10/608558910.db2.gz GRFUUJGXXHTXPV-UHFFFAOYSA-N -1 1 384.444 1.170 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CCOCc1ccccc1 ZINC000825923312 608558912 /nfs/dbraw/zinc/55/89/12/608558912.db2.gz GRFUUJGXXHTXPV-UHFFFAOYSA-N -1 1 384.444 1.170 20 0 GDADMM Cc1c2cc(C)ccc2[nH]c1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826293590 608559786 /nfs/dbraw/zinc/55/97/86/608559786.db2.gz UZBZFODRHCWIHL-UHFFFAOYSA-N -1 1 393.455 1.975 20 0 GDADMM Cc1c2cc(C)ccc2[nH]c1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826293590 608559787 /nfs/dbraw/zinc/55/97/87/608559787.db2.gz UZBZFODRHCWIHL-UHFFFAOYSA-N -1 1 393.455 1.975 20 0 GDADMM Cc1cccc(S(=O)(=O)Oc2ccc3c(c2)CN(C)C3=O)c1-c1nn[n-]n1 ZINC000826304768 608562775 /nfs/dbraw/zinc/56/27/75/608562775.db2.gz XLVHCAFFLHBGBA-UHFFFAOYSA-N -1 1 385.405 1.528 20 0 GDADMM COC(=O)C1=C(C)O[C@H](Cn2cc(-c3nn[n-]n3)c(=O)c3nc(C)ccc32)C1 ZINC000826129339 608582672 /nfs/dbraw/zinc/58/26/72/608582672.db2.gz PIPWOJIAPDMNIV-NSHDSACASA-N -1 1 382.380 1.121 20 0 GDADMM C[C@H](CCO)C1(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCC1 ZINC000824406399 608589939 /nfs/dbraw/zinc/58/99/39/608589939.db2.gz IYVAWTRCWITNGK-LLVKDONJSA-N -1 1 383.449 1.473 20 0 GDADMM C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000824045030 608591345 /nfs/dbraw/zinc/59/13/45/608591345.db2.gz DOCXRFZMAKOHNN-CYBMUJFWSA-N -1 1 399.430 1.744 20 0 GDADMM C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000824045030 608591346 /nfs/dbraw/zinc/59/13/46/608591346.db2.gz DOCXRFZMAKOHNN-CYBMUJFWSA-N -1 1 399.430 1.744 20 0 GDADMM CN(CCCOc1ccc(S(C)(=O)=O)cc1)Cc1ccc(-c2nnn[n-]2)o1 ZINC000825923447 608636267 /nfs/dbraw/zinc/63/62/67/608636267.db2.gz HZFGEOHXICXOII-UHFFFAOYSA-N -1 1 391.453 1.764 20 0 GDADMM CN(CCCOc1ccc(S(C)(=O)=O)cc1)Cc1ccc(-c2nn[n-]n2)o1 ZINC000825923447 608636268 /nfs/dbraw/zinc/63/62/68/608636268.db2.gz HZFGEOHXICXOII-UHFFFAOYSA-N -1 1 391.453 1.764 20 0 GDADMM CCn1cc(-c2nn[n-]n2)c(=O)n(CCOc2ccc(F)cc2Cl)c1=O ZINC000825797193 608753951 /nfs/dbraw/zinc/75/39/51/608753951.db2.gz XXSFOFFAUNEDAJ-UHFFFAOYSA-N -1 1 380.767 1.082 20 0 GDADMM CC(C)c1ncc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)s1 ZINC000824365064 608832371 /nfs/dbraw/zinc/83/23/71/608832371.db2.gz ZKYACKSGBQLGJQ-GFCCVEGCSA-N -1 1 385.501 1.947 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cnc(C2CC2)s1 ZINC000824999016 608837557 /nfs/dbraw/zinc/83/75/57/608837557.db2.gz CKNSHGLVBPAUMM-NSHDSACASA-N -1 1 383.485 1.701 20 0 GDADMM COc1ccc([C@@H]2CCCN2C(=O)Cn2ccnc2-c2nnn[n-]2)cc1OC ZINC000826189878 608887638 /nfs/dbraw/zinc/88/76/38/608887638.db2.gz HWNJUGZKTMINRM-ZDUSSCGKSA-N -1 1 383.412 1.444 20 0 GDADMM COc1ccc([C@@H]2CCCN2C(=O)Cn2ccnc2-c2nn[n-]n2)cc1OC ZINC000826189878 608887641 /nfs/dbraw/zinc/88/76/41/608887641.db2.gz HWNJUGZKTMINRM-ZDUSSCGKSA-N -1 1 383.412 1.444 20 0 GDADMM Cc1cc(Cl)ncc1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826267333 609160227 /nfs/dbraw/zinc/16/02/27/609160227.db2.gz AFQYXFFSISOSGO-UHFFFAOYSA-N -1 1 390.839 1.625 20 0 GDADMM Cc1cc(Cl)ncc1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826267333 609160229 /nfs/dbraw/zinc/16/02/29/609160229.db2.gz AFQYXFFSISOSGO-UHFFFAOYSA-N -1 1 390.839 1.625 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@@H]1C1CCOCC1 ZINC000826495107 609183066 /nfs/dbraw/zinc/18/30/66/609183066.db2.gz COSGEWQPXZRQBK-OAHLLOKOSA-N -1 1 381.433 1.586 20 0 GDADMM Cc1n[nH]c(=O)c(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)c1C ZINC000826322032 609289649 /nfs/dbraw/zinc/28/96/49/609289649.db2.gz XPJNBCYVBHKRSU-UHFFFAOYSA-N -1 1 395.358 1.556 20 0 GDADMM CCn1nc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)ccc1=O ZINC000825806715 609292556 /nfs/dbraw/zinc/29/25/56/609292556.db2.gz BAKIQWWZIJYOFF-UHFFFAOYSA-N -1 1 395.358 1.020 20 0 GDADMM C[C@H](Cc1cccc(O)c1)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824457532 609300431 /nfs/dbraw/zinc/30/04/31/609300431.db2.gz OYXMSCFGNOSZPI-LLVKDONJSA-N -1 1 399.459 1.083 20 0 GDADMM C[C@H](Cc1cccc(O)c1)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824457532 609300432 /nfs/dbraw/zinc/30/04/32/609300432.db2.gz OYXMSCFGNOSZPI-LLVKDONJSA-N -1 1 399.459 1.083 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000825930053 609301170 /nfs/dbraw/zinc/30/11/70/609301170.db2.gz OVHKEWDKXABHAA-OCCSQVGLSA-N -1 1 381.444 1.302 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000825930053 609301173 /nfs/dbraw/zinc/30/11/73/609301173.db2.gz OVHKEWDKXABHAA-OCCSQVGLSA-N -1 1 381.444 1.302 20 0 GDADMM CC(C)[C@H]1CCC[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1 ZINC000824216145 609301731 /nfs/dbraw/zinc/30/17/31/609301731.db2.gz OHGPPSGVNSLXTP-STQMWFEESA-N -1 1 389.508 1.961 20 0 GDADMM CC(C)[C@H]1CCC[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C1 ZINC000824216145 609301732 /nfs/dbraw/zinc/30/17/32/609301732.db2.gz OHGPPSGVNSLXTP-STQMWFEESA-N -1 1 389.508 1.961 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000825930333 609304253 /nfs/dbraw/zinc/30/42/53/609304253.db2.gz SYTGKJOIWPLLQF-FRRDWIJNSA-N -1 1 387.492 1.715 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000825930333 609304254 /nfs/dbraw/zinc/30/42/54/609304254.db2.gz SYTGKJOIWPLLQF-FRRDWIJNSA-N -1 1 387.492 1.715 20 0 GDADMM Cc1nc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)sc1C ZINC000826326595 609304641 /nfs/dbraw/zinc/30/46/41/609304641.db2.gz WTJFBWIJIQJKAB-UHFFFAOYSA-N -1 1 390.477 1.020 20 0 GDADMM Cc1nc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)sc1C ZINC000826326595 609304642 /nfs/dbraw/zinc/30/46/42/609304642.db2.gz WTJFBWIJIQJKAB-UHFFFAOYSA-N -1 1 390.477 1.020 20 0 GDADMM Cc1cccc([C@@H](C)CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000826295979 609304869 /nfs/dbraw/zinc/30/48/69/609304869.db2.gz FUIUMXKBUSRTBI-ZDUSSCGKSA-N -1 1 397.487 1.858 20 0 GDADMM Cc1cccc([C@@H](C)CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000826295979 609304872 /nfs/dbraw/zinc/30/48/72/609304872.db2.gz FUIUMXKBUSRTBI-ZDUSSCGKSA-N -1 1 397.487 1.858 20 0 GDADMM CCC(CC)(CC)CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825089908 609309562 /nfs/dbraw/zinc/30/95/62/609309562.db2.gz OUKNHLMGDLHSNO-UHFFFAOYSA-N -1 1 377.497 1.962 20 0 GDADMM CCC(CC)(CC)CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825089908 609309564 /nfs/dbraw/zinc/30/95/64/609309564.db2.gz OUKNHLMGDLHSNO-UHFFFAOYSA-N -1 1 377.497 1.962 20 0 GDADMM Cc1cc(=O)c(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)c[nH]1 ZINC000826256469 609313114 /nfs/dbraw/zinc/31/31/14/609313114.db2.gz LCCRFGIEGNCSBD-UHFFFAOYSA-N -1 1 380.343 1.441 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1n[nH]c2c1CCC2 ZINC000826459152 609313995 /nfs/dbraw/zinc/31/39/95/609313995.db2.gz XLBNYJYJSBFQER-UHFFFAOYSA-N -1 1 379.359 1.656 20 0 GDADMM Cc1cc(NC(=O)C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)no1 ZINC000826269161 609315668 /nfs/dbraw/zinc/31/56/68/609315668.db2.gz CBOOWDYPDZCAJM-UHFFFAOYSA-N -1 1 397.330 1.065 20 0 GDADMM C[C@H](NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1cn[nH]c1 ZINC000824505918 609360363 /nfs/dbraw/zinc/36/03/63/609360363.db2.gz JWNMHHPLVMWIJD-VIFPVBQESA-N -1 1 382.363 1.797 20 0 GDADMM C[C@H](NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)[C@H]1CCCO1 ZINC000824507059 609362133 /nfs/dbraw/zinc/36/21/33/609362133.db2.gz SMMAYNNCCSHLDW-GXFFZTMASA-N -1 1 386.391 1.881 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N1CC[C@H](CCO)C1 ZINC000826458033 609364367 /nfs/dbraw/zinc/36/43/67/609364367.db2.gz ABSDMGQFTHCDCS-LLVKDONJSA-N -1 1 386.391 1.428 20 0 GDADMM C[C@H]1CCN(CC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)C[C@@H]1F ZINC000824954503 609374098 /nfs/dbraw/zinc/37/40/98/609374098.db2.gz KNWALAXUGLLVSR-WFASDCNBSA-N -1 1 384.419 1.671 20 0 GDADMM C[C@H]1CCN(CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)C[C@@H]1F ZINC000824954503 609374099 /nfs/dbraw/zinc/37/40/99/609374099.db2.gz KNWALAXUGLLVSR-WFASDCNBSA-N -1 1 384.419 1.671 20 0 GDADMM Cn1cc(Br)c(=O)c(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826358441 609404911 /nfs/dbraw/zinc/40/49/11/609404911.db2.gz ULTSIUMTKJTXBH-UHFFFAOYSA-N -1 1 381.215 1.642 20 0 GDADMM Cn1cc(Br)c(=O)c(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000826358441 609404913 /nfs/dbraw/zinc/40/49/13/609404913.db2.gz ULTSIUMTKJTXBH-UHFFFAOYSA-N -1 1 381.215 1.642 20 0 GDADMM CCCN(C)S(=O)(=O)[N-]c1ccn(-c2ccc(-c3nn[nH]n3)cc2Cl)n1 ZINC000825301813 609457248 /nfs/dbraw/zinc/45/72/48/609457248.db2.gz PCIFFVKQEWRTSL-UHFFFAOYSA-N -1 1 396.864 1.704 20 0 GDADMM O=S(=O)(C1CN(Cc2ccc(-c3nnn[n-]3)o2)C1)N1CCc2ccccc21 ZINC000826484186 609498036 /nfs/dbraw/zinc/49/80/36/609498036.db2.gz RHRYHYNUKBVGAK-UHFFFAOYSA-N -1 1 386.437 1.036 20 0 GDADMM O=S(=O)(C1CN(Cc2ccc(-c3nn[n-]n3)o2)C1)N1CCc2ccccc21 ZINC000826484186 609498038 /nfs/dbraw/zinc/49/80/38/609498038.db2.gz RHRYHYNUKBVGAK-UHFFFAOYSA-N -1 1 386.437 1.036 20 0 GDADMM COCC[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccco1 ZINC000826155202 609583080 /nfs/dbraw/zinc/58/30/80/609583080.db2.gz JOFSVVMUPGKJLI-NSHDSACASA-N -1 1 381.389 1.655 20 0 GDADMM COCC[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccco1 ZINC000826155202 609583081 /nfs/dbraw/zinc/58/30/81/609583081.db2.gz JOFSVVMUPGKJLI-NSHDSACASA-N -1 1 381.389 1.655 20 0 GDADMM C[C@@H]1CC[C@@H](C(F)(F)F)CN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824908867 609586608 /nfs/dbraw/zinc/58/66/08/609586608.db2.gz RCTRUIRAQHMBAX-RKDXNWHRSA-N -1 1 376.364 1.613 20 0 GDADMM C[C@@H]1CC[C@@H](C(F)(F)F)CN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824908867 609586611 /nfs/dbraw/zinc/58/66/11/609586611.db2.gz RCTRUIRAQHMBAX-RKDXNWHRSA-N -1 1 376.364 1.613 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCC([C@@H]2CCOC2)CC1 ZINC000826495147 609611227 /nfs/dbraw/zinc/61/12/27/609611227.db2.gz DVNVPNMGISBSKJ-GFCCVEGCSA-N -1 1 397.888 1.957 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCC([C@@H]2CCOC2)CC1 ZINC000826495147 609611229 /nfs/dbraw/zinc/61/12/29/609611229.db2.gz DVNVPNMGISBSKJ-GFCCVEGCSA-N -1 1 397.888 1.957 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCC([C@@H]2CCOC2)CC1 ZINC000826495359 609611893 /nfs/dbraw/zinc/61/18/93/609611893.db2.gz MZPGQBJNPVMLRE-GFCCVEGCSA-N -1 1 381.433 1.443 20 0 GDADMM O=S(=O)([N-]C[C@H](O)[C@H]1CCOC1)c1cc(Br)sc1Cl ZINC000533093215 650041129 /nfs/dbraw/zinc/04/11/29/650041129.db2.gz DIQDKWTZRMFLSQ-BQBZGAKWSA-N -1 1 390.708 1.840 20 0 GDADMM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H](CO)CC(F)(F)F)s1 ZINC000533804407 650214103 /nfs/dbraw/zinc/21/41/03/650214103.db2.gz XZNCVCDGIUOTFF-ZCFIWIBFSA-N -1 1 377.362 1.135 20 0 GDADMM COC(=O)c1coc(S(=O)(=O)[N-]c2ccc(F)cc2NS(C)(=O)=O)c1 ZINC000539114665 650328249 /nfs/dbraw/zinc/32/82/49/650328249.db2.gz CSTANXBMDDXDTO-UHFFFAOYSA-N -1 1 392.386 1.378 20 0 GDADMM NC(=O)c1csc(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])c1 ZINC000539982804 650345724 /nfs/dbraw/zinc/34/57/24/650345724.db2.gz OEOGDMVDGMUCLJ-UHFFFAOYSA-N -1 1 381.435 1.246 20 0 GDADMM O=C(NCCNc1cnccn1)c1ccc(I)c([O-])c1 ZINC000544869789 650447507 /nfs/dbraw/zinc/44/75/07/650447507.db2.gz VOTJVZPEVADUOJ-UHFFFAOYSA-N -1 1 384.177 1.629 20 0 GDADMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)c1ccc(C2CC2)cn1 ZINC000546663624 650482742 /nfs/dbraw/zinc/48/27/42/650482742.db2.gz VFLPITRBOSKKSN-UHFFFAOYSA-N -1 1 382.467 1.138 20 0 GDADMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)c1csc(C2CC2)n1 ZINC000546663975 650482897 /nfs/dbraw/zinc/48/28/97/650482897.db2.gz KKBFWOANYCRGQE-UHFFFAOYSA-N -1 1 388.496 1.199 20 0 GDADMM COC[C@](C)(CCO)NC(=O)c1ccc(I)c([O-])c1 ZINC000546911632 650490218 /nfs/dbraw/zinc/49/02/18/650490218.db2.gz AALIFGJSXBGRQQ-ZDUSSCGKSA-N -1 1 379.194 1.514 20 0 GDADMM N#Cc1cc(Br)cc(S(=O)(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c1 ZINC000547545176 650500052 /nfs/dbraw/zinc/50/00/52/650500052.db2.gz GJGBAKHGLSMGHZ-LBPRGKRZSA-N -1 1 399.226 1.018 20 0 GDADMM 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C[N-]S(=O)(=O)c1cc(C(=O)OCC2(OCCCOC)CCCC2)co1 ZINC000791432120 655071636 /nfs/dbraw/zinc/07/16/36/655071636.db2.gz UKJSXSIJWYDQMP-UHFFFAOYSA-N -1 1 375.443 1.710 20 0 GDADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)c2cc(Br)n[nH]2)n[n-]1 ZINC000834687578 655075863 /nfs/dbraw/zinc/07/58/63/655075863.db2.gz XANYHRGPDAMZSV-QMMMGPOBSA-N -1 1 399.249 1.984 20 0 GDADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)c2cc(Br)n[nH]2)[n-]1 ZINC000834687578 655075865 /nfs/dbraw/zinc/07/58/65/655075865.db2.gz XANYHRGPDAMZSV-QMMMGPOBSA-N -1 1 399.249 1.984 20 0 GDADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)c2cc(Br)n[nH]2)n1 ZINC000834687578 655075866 /nfs/dbraw/zinc/07/58/66/655075866.db2.gz XANYHRGPDAMZSV-QMMMGPOBSA-N -1 1 399.249 1.984 20 0 GDADMM O=S(=O)([N-][C@@H](CO)C[C@H](O)c1ccccc1)c1ccc(Br)o1 ZINC000759067587 655076138 /nfs/dbraw/zinc/07/61/38/655076138.db2.gz BHMIQLNDZUZBSM-NEPJUHHUSA-N -1 1 390.255 1.805 20 0 GDADMM Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1cc(S(N)(=O)=O)ccc1F ZINC000808077584 655097260 /nfs/dbraw/zinc/09/72/60/655097260.db2.gz LXFABJYIHIJHGA-UHFFFAOYSA-N -1 1 379.822 1.631 20 0 GDADMM CNC(=O)Oc1cccc([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)c1 ZINC000793465238 655118759 /nfs/dbraw/zinc/11/87/59/655118759.db2.gz YYZNWWJZFJSUMI-UHFFFAOYSA-N -1 1 384.435 1.609 20 0 GDADMM COC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)oc1Br)C(C)C ZINC000760585687 655118883 /nfs/dbraw/zinc/11/88/83/655118883.db2.gz NYBYAPRZWITPQZ-MRVPVSSYSA-N -1 1 384.248 1.778 20 0 GDADMM CCOC(=O)c1cc(S(=O)(=O)[N-]CCN2CCOCC2)c(F)cc1Cl ZINC000809385580 655127940 /nfs/dbraw/zinc/12/79/40/655127940.db2.gz ICOCTMZRQDCBFH-UHFFFAOYSA-N -1 1 394.852 1.266 20 0 GDADMM CCOC(=O)[C@@H](COC(=O)c1coc(S(=O)(=O)[N-]C)c1)CC(C)(C)C ZINC000836052816 655131239 /nfs/dbraw/zinc/13/12/39/655131239.db2.gz SYNYLCJKQGJPKS-GFCCVEGCSA-N -1 1 375.443 1.960 20 0 GDADMM CCc1nnc(C[N-]S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)s1 ZINC000810110668 655151044 /nfs/dbraw/zinc/15/10/44/655151044.db2.gz PDMXSZWBWGIGJM-UHFFFAOYSA-N -1 1 388.902 1.934 20 0 GDADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](C)NC(=O)OC(C)(C)C)o1 ZINC000795207684 655166642 /nfs/dbraw/zinc/16/66/42/655166642.db2.gz NIXOFGRGLVBTBC-JTQLQIEISA-N -1 1 376.431 1.648 20 0 GDADMM CCn1ncnc1C[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000795300766 655170206 /nfs/dbraw/zinc/17/02/06/655170206.db2.gz HAKSATXIMXWRDI-UHFFFAOYSA-N -1 1 380.655 1.587 20 0 GDADMM CNc1ncc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])s1 ZINC000763272419 655189885 /nfs/dbraw/zinc/18/98/85/655189885.db2.gz KAHGYTKRBMLOIY-UHFFFAOYSA-N -1 1 382.467 1.927 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2C(N)=O)c(F)cc1Cl ZINC000795877823 655192962 /nfs/dbraw/zinc/19/29/62/655192962.db2.gz RLFATKGMDDIEOV-PRHODGIISA-N -1 1 392.836 1.588 20 0 GDADMM O=C(c1nc2ccccc2cc1Br)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000813445234 655236802 /nfs/dbraw/zinc/23/68/02/655236802.db2.gz QBUYXZKCSKINDC-LBPRGKRZSA-N -1 1 389.213 1.724 20 0 GDADMM Cn1[n-]c(COC(=O)c2ncc(Br)cc2Br)nc1=O ZINC000765509742 655242183 /nfs/dbraw/zinc/24/21/83/655242183.db2.gz 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Cn1[n-]c(COC(=O)c2ccn(-c3ccc(Br)cc3)n2)nc1=O ZINC000814525659 655270149 /nfs/dbraw/zinc/27/01/49/655270149.db2.gz MLSYEJFUSYGWGF-UHFFFAOYSA-N -1 1 378.186 1.414 20 0 GDADMM C[C@H]1CCN(S(=O)(=O)CC[C@H]2CCOC2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000815044517 655283475 /nfs/dbraw/zinc/28/34/75/655283475.db2.gz CXKOPKFAIFJHRQ-RVMXOQNASA-N -1 1 386.436 1.520 20 0 GDADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OCC2(CS(C)(=O)=O)CC2)o1 ZINC000767569972 655298206 /nfs/dbraw/zinc/29/82/06/655298206.db2.gz ZKOPSRNOIDPUPN-UHFFFAOYSA-N -1 1 393.483 1.338 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)[C@H](C)S(C)(=O)=O ZINC000841436774 655324518 /nfs/dbraw/zinc/32/45/18/655324518.db2.gz XAIYGDBXKDHYTO-OSUNSFLBSA-N -1 1 386.436 1.360 20 0 GDADMM C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)[N-]OC/C=C/Cl ZINC000841438875 655324724 /nfs/dbraw/zinc/32/47/24/655324724.db2.gz VPKRWQMRBQOTOQ-ZEGYRVLXSA-N -1 1 380.750 1.772 20 0 GDADMM CCOC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)C(=O)OCC)c(F)cc1Cl ZINC000841479653 655327160 /nfs/dbraw/zinc/32/71/60/655327160.db2.gz RWPBUNQOFFMARX-QMMMGPOBSA-N -1 1 381.809 1.886 20 0 GDADMM CCOC(=O)c1cc(S(=O)(=O)[N-][C@H](C(=O)OC)C2CC2)c(F)cc1Cl ZINC000841499903 655331191 /nfs/dbraw/zinc/33/11/91/655331191.db2.gz BPXFQUHTHZZSMV-ZDUSSCGKSA-N -1 1 393.820 1.886 20 0 GDADMM CCOC(=O)c1cc(S(=O)(=O)[N-]C[C@@]2(O)CCSC2)c(F)cc1Cl ZINC000841500225 655331317 /nfs/dbraw/zinc/33/13/17/655331317.db2.gz CUJOOMQWBYVTSD-AWEZNQCLSA-N -1 1 397.877 1.802 20 0 GDADMM CCOC(=O)c1cc(S(=O)(=O)[N-][C@H](CC)C(=O)OC)c(F)cc1Cl ZINC000841503127 655331874 /nfs/dbraw/zinc/33/18/74/655331874.db2.gz LRMARZQROCNDRE-LLVKDONJSA-N -1 1 381.809 1.886 20 0 GDADMM CCOC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCN(C)C(=O)C2)c(F)cc1Cl ZINC000841514003 655334123 /nfs/dbraw/zinc/33/41/23/655334123.db2.gz AKXGLNWKWNSMDI-SECBINFHSA-N -1 1 392.836 1.555 20 0 GDADMM Cn1cnc(S(=O)(=O)[N-][C@H]2c3sccc3OC(C)(C)[C@@H]2O)c1Cl ZINC000841542689 655342141 /nfs/dbraw/zinc/34/21/41/655342141.db2.gz KTDTUSCYJNKZKG-WCBMZHEXSA-N -1 1 377.875 1.687 20 0 GDADMM COC(=O)[C@@H](F)C[N-]S(=O)(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000841545841 655343108 /nfs/dbraw/zinc/34/31/08/655343108.db2.gz WYKWQFYLKRNZPA-NSHDSACASA-N -1 1 394.218 1.613 20 0 GDADMM CCN(CC)S(=O)(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817149212 655346067 /nfs/dbraw/zinc/34/60/67/655346067.db2.gz CIZJKWGXMBIZIR-GFCCVEGCSA-N -1 1 379.404 1.683 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)c2csnn2)c(Br)o1 ZINC000841565000 655348396 /nfs/dbraw/zinc/34/83/96/655348396.db2.gz RXUBVSIMRUCEND-RXMQYKEDSA-N -1 1 396.244 1.720 20 0 GDADMM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCCC(F)(F)[C@H]2O)c1 ZINC000841566150 655348574 /nfs/dbraw/zinc/34/85/74/655348574.db2.gz DGKHGCSZZFQBJK-YPMHNXCESA-N -1 1 381.372 1.829 20 0 GDADMM CC(C)C[C@@H](CNC(=O)[C@@H](NS(=O)(=O)C(F)F)C(C)(C)C)CC(=O)[O-] ZINC000817423073 655351922 /nfs/dbraw/zinc/35/19/22/655351922.db2.gz YEVVFUNGABUQRY-ZYHUDNBSSA-N -1 1 386.461 1.796 20 0 GDADMM CN(C)C1(CS(=O)(=O)[N-]C(=O)C[C@@H]2CSc3ccccc3O2)CCC1 ZINC000843015212 655386386 /nfs/dbraw/zinc/38/63/86/655386386.db2.gz RPVQGYZGHFMIOL-CYBMUJFWSA-N -1 1 384.523 1.860 20 0 GDADMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2ccc3c(c2)OC(F)(F)O3)CCC1 ZINC000843014653 655386443 /nfs/dbraw/zinc/38/64/43/655386443.db2.gz PYXLKNGGIBORJT-UHFFFAOYSA-N -1 1 376.381 1.552 20 0 GDADMM CN(C)C1(CS(=O)(=O)[N-]C(=O)CCOCC(F)(F)C(F)(F)F)CCC1 ZINC000843016112 655386615 /nfs/dbraw/zinc/38/66/15/655386615.db2.gz OQBGPWJIBUPSJP-UHFFFAOYSA-N -1 1 396.378 1.521 20 0 GDADMM Cc1cc(C[C@H](C)NC(=O)c2cnc(I)c([O-])c2)n[nH]1 ZINC000821049941 655421497 /nfs/dbraw/zinc/42/14/97/655421497.db2.gz MKFBJIIZRNCCDL-ZETCQYMHSA-N -1 1 386.193 1.784 20 0 GDADMM CCOC(=O)c1c[n-]c(NC(=O)c2cnn(C)c2I)n1 ZINC000846651465 655458401 /nfs/dbraw/zinc/45/84/01/655458401.db2.gz UBJRGQYRMBKYLK-UHFFFAOYSA-N -1 1 389.153 1.177 20 0 GDADMM CS[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)C1 ZINC000848636756 655497619 /nfs/dbraw/zinc/49/76/19/655497619.db2.gz ZCSSYXQLDYEWHX-OUAUKWLOSA-N -1 1 381.420 1.008 20 0 GDADMM CON(C)S(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)c1 ZINC000848954233 655504032 /nfs/dbraw/zinc/50/40/32/655504032.db2.gz CWGYSPQBHBCIEX-UHFFFAOYSA-N -1 1 388.471 1.516 20 0 GDADMM CON(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC(F)(F)C(F)F ZINC000848956630 655505063 /nfs/dbraw/zinc/50/50/63/655505063.db2.gz XVUQURVTLFUJPH-UHFFFAOYSA-N -1 1 394.368 1.047 20 0 GDADMM CC(C)[C@@H]1CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(F)n1 ZINC000848956733 655505167 /nfs/dbraw/zinc/50/51/67/655505167.db2.gz ANVOZQHWCSVVQA-LBPRGKRZSA-N -1 1 379.479 1.413 20 0 GDADMM C[C@H](N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(F)n1)C1(C)CC1 ZINC000848957992 655506148 /nfs/dbraw/zinc/50/61/48/655506148.db2.gz HCFBOBOXKTUWPZ-LBPRGKRZSA-N -1 1 393.506 1.803 20 0 GDADMM CS[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cccc(F)n2)C1 ZINC000848958664 655506774 /nfs/dbraw/zinc/50/67/74/655506774.db2.gz WRMDOBAVTRSJSV-NSHDSACASA-N -1 1 397.519 1.120 20 0 GDADMM CC1(C)[C@@H]2CN(S(=O)(=O)CCCS(=O)(=O)[N-]c3cccc(F)n3)C[C@@H]21 ZINC000848958789 655506884 /nfs/dbraw/zinc/50/68/84/655506884.db2.gz DDHRDZOLQXEXMS-TXEJJXNPSA-N -1 1 391.490 1.270 20 0 GDADMM CC1=CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cccc(Cl)n2)CC1 ZINC000848960345 655507744 /nfs/dbraw/zinc/50/77/44/655507744.db2.gz CTIAQPUGPGXIJS-UHFFFAOYSA-N -1 1 393.918 1.849 20 0 GDADMM O=S(=O)(CCCS(=O)(=O)N[C@@H]1C[C@H]2C[C@H]2C1)[N-]c1cccc(F)n1 ZINC000848963035 655510811 /nfs/dbraw/zinc/51/08/11/655510811.db2.gz HDLUAISJPMEGKK-ZSBIGDGJSA-N -1 1 377.463 1.070 20 0 GDADMM C[C@H]1CC[C@H](CNS(=O)(=O)CCCS(=O)(=O)[N-]c2cccc(F)n2)C1 ZINC000848963796 655511223 /nfs/dbraw/zinc/51/12/23/655511223.db2.gz CMXHQWVVMHXNJS-STQMWFEESA-N -1 1 393.506 1.708 20 0 GDADMM C[C@H]1CCC[C@H]1CNS(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(F)n1 ZINC000848964415 655511656 /nfs/dbraw/zinc/51/16/56/655511656.db2.gz QHJWHHSNENDNOE-STQMWFEESA-N -1 1 393.506 1.708 20 0 GDADMM C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(Cl)n1)C1CC1 ZINC000848965339 655512450 /nfs/dbraw/zinc/51/24/50/655512450.db2.gz LIPBEOQDGGTZMS-SNVBAGLBSA-N -1 1 381.907 1.585 20 0 GDADMM O=S(=O)(CCCCS(=O)(=O)N1CC[C@@H](F)C1)[N-]c1cccc(F)n1 ZINC000848968672 655515181 /nfs/dbraw/zinc/51/51/81/655515181.db2.gz FDDYUSLWQALDEX-LLVKDONJSA-N -1 1 383.442 1.116 20 0 GDADMM Cn1cnc(S(=O)(=O)[N-]C[C@H]2CCCCN2C(=O)C(F)(F)F)c1Cl ZINC000828133071 655519518 /nfs/dbraw/zinc/51/95/18/655519518.db2.gz SESBUKAMBYKTBP-MRVPVSSYSA-N -1 1 388.799 1.295 20 0 GDADMM O=S(=O)(Cc1cc(F)ccc1Br)[N-]C[C@H](O)C(F)(F)F ZINC000849378638 655524028 /nfs/dbraw/zinc/52/40/28/655524028.db2.gz YUEQULLODDAXAD-VIFPVBQESA-N -1 1 380.157 1.931 20 0 GDADMM CCOC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2ncccc2Br)C1 ZINC000849387315 655525656 /nfs/dbraw/zinc/52/56/56/655525656.db2.gz RZWJPWPDYPAYGV-SECBINFHSA-N -1 1 378.248 1.353 20 0 GDADMM O=C1O[C@H](C[N-]S(=O)(=O)c2ncccc2Br)CN1C1CC1 ZINC000849401223 655527935 /nfs/dbraw/zinc/52/79/35/655527935.db2.gz RPUQUJJPIGZOAZ-SECBINFHSA-N -1 1 376.232 1.106 20 0 GDADMM CCc1ncc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])s1 ZINC000851700308 655591506 /nfs/dbraw/zinc/59/15/06/655591506.db2.gz AWAOEAAJYAGDPI-XVKPBYJWSA-N -1 1 379.360 1.442 20 0 GDADMM Cc1nc(C)c(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])s1 ZINC000851701665 655591764 /nfs/dbraw/zinc/59/17/64/655591764.db2.gz XPQRDLKGISEWET-DTWKUNHWSA-N -1 1 379.360 1.496 20 0 GDADMM COc1csc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])c1 ZINC000851702652 655591854 /nfs/dbraw/zinc/59/18/54/655591854.db2.gz MUFQMZPGRDZCMP-WPRPVWTQSA-N -1 1 380.344 1.493 20 0 GDADMM COC(=O)c1oc(S(=O)(=O)[N-]C[C@H](O)c2c(F)cccc2F)cc1C ZINC000851765997 655594148 /nfs/dbraw/zinc/59/41/48/655594148.db2.gz PURJWPGQFTXGBV-NSHDSACASA-N -1 1 375.349 1.665 20 0 GDADMM COC(=O)[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)cnc2Cl)C1 ZINC000851873882 655601433 /nfs/dbraw/zinc/60/14/33/655601433.db2.gz RVPSJONMGPAFAW-FKQCQYRASA-N -1 1 383.651 1.727 20 0 GDADMM CO[C@H](CC(C)C)CS(=O)(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000851882696 655602155 /nfs/dbraw/zinc/60/21/55/655602155.db2.gz DKRUYJBMMJWDHK-UPJWGTAASA-N -1 1 388.452 1.766 20 0 GDADMM COCCn1cnn(CN2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)c1=S ZINC000853622492 655645611 /nfs/dbraw/zinc/64/56/11/655645611.db2.gz ZDEDWEDWKVRYOF-MNOVXSKESA-N -1 1 381.424 1.407 20 0 GDADMM CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1ccc(Br)cc1[O-] ZINC000854713243 655674947 /nfs/dbraw/zinc/67/49/47/655674947.db2.gz NOSYXPMHCDDCQI-JTQLQIEISA-N -1 1 389.246 1.770 20 0 GDADMM C[C@@H](Sc1nncn1C)C(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000856420101 655713170 /nfs/dbraw/zinc/71/31/70/655713170.db2.gz XQGOIFPUEJOUSU-BBBLOLIVSA-N -1 1 379.408 1.211 20 0 GDADMM CC(C)(C)NC(=O)CC[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000858939707 655756804 /nfs/dbraw/zinc/75/68/04/655756804.db2.gz RPGCDPZAHKBWDM-UHFFFAOYSA-N -1 1 382.255 1.566 20 0 GDADMM NC(=O)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000859050336 655760530 /nfs/dbraw/zinc/76/05/30/655760530.db2.gz LAJSCVFDNHSVFZ-SFYZADRCSA-N -1 1 380.239 1.306 20 0 GDADMM O=S(=O)([N-][C@@H]1CCCCC12OCCO2)c1ccc(Br)nc1F ZINC000859074181 655761720 /nfs/dbraw/zinc/76/17/20/655761720.db2.gz ZIOMEMQZAMZRBG-SNVBAGLBSA-N -1 1 395.250 1.947 20 0 GDADMM CCOC(CC[N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1F)OCC ZINC000859127452 655765096 /nfs/dbraw/zinc/76/50/96/655765096.db2.gz WOSNQDFGQMJWAR-UHFFFAOYSA-N -1 1 381.397 1.819 20 0 GDADMM CN1CC[C@@H](C[N-]S(=O)(=O)c2ccc(Br)nc2F)CC1=O ZINC000859196758 655768987 /nfs/dbraw/zinc/76/89/87/655768987.db2.gz GGZHCEHVIOOBLD-MRVPVSSYSA-N -1 1 380.239 1.130 20 0 GDADMM CCO[C@@H](CS(=O)(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1)C1CC1 ZINC000859231960 655770675 /nfs/dbraw/zinc/77/06/75/655770675.db2.gz OYCPHQRZJMYHGL-WXHSDQCUSA-N -1 1 386.436 1.520 20 0 GDADMM CCON(CC)C(=O)C[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F ZINC000859272068 655772386 /nfs/dbraw/zinc/77/23/86/655772386.db2.gz MLHGMXFTTDBYFW-UHFFFAOYSA-N -1 1 396.824 1.344 20 0 GDADMM CCCN(CC(F)(F)F)C(=O)COC(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000859608790 655788024 /nfs/dbraw/zinc/78/80/24/655788024.db2.gz PSXQISFGJINLRM-UHFFFAOYSA-N -1 1 386.348 1.145 20 0 GDADMM CCON(CC)C(=O)CNC(=O)c1ccc(I)c([O-])c1 ZINC000862622131 655848720 /nfs/dbraw/zinc/84/87/20/655848720.db2.gz ZOELNUYPCUVVPH-UHFFFAOYSA-N -1 1 392.193 1.527 20 0 GDADMM C[C@@]1(NC(=O)c2ccc(I)cc2[O-])CCS(=O)(=O)C1 ZINC000864680492 655904451 /nfs/dbraw/zinc/90/44/51/655904451.db2.gz OSFRZRDTIKLHPF-GFCCVEGCSA-N -1 1 395.218 1.304 20 0 GDADMM O=C(Cc1ccc(Br)cc1Cl)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000865596079 655922712 /nfs/dbraw/zinc/92/27/12/655922712.db2.gz JKLPNCHXVSALSI-LLVKDONJSA-N -1 1 386.637 1.758 20 0 GDADMM Cc1nc(CN2CCN(C(=O)c3cc(Br)cc(F)c3[O-])CC2)n[nH]1 ZINC000865926877 655930323 /nfs/dbraw/zinc/93/03/23/655930323.db2.gz GYTWOMRJTTYPJC-UHFFFAOYSA-N -1 1 398.236 1.678 20 0 GDADMM O=C(NC[C@]1(O)CCSC1)c1ccc(I)cc1[O-] ZINC000866322494 655937592 /nfs/dbraw/zinc/93/75/92/655937592.db2.gz WBWSUYGIRDIMOT-GFCCVEGCSA-N -1 1 379.219 1.595 20 0 GDADMM Cn1ncc(S(=O)(=O)[N-]CC(=O)OCc2ccccc2)c1C(F)(F)F ZINC000866393569 655939765 /nfs/dbraw/zinc/93/97/65/655939765.db2.gz IJHMVEPMSCJCLW-UHFFFAOYSA-N -1 1 377.344 1.461 20 0 GDADMM C[S@](=O)(=NS(=O)(=O)[N-]C1CCOCC1)c1cccc(Br)c1 ZINC000866549496 655948943 /nfs/dbraw/zinc/94/89/43/655948943.db2.gz RQSGDRMICNYHRC-HXUWFJFHSA-N -1 1 397.316 1.919 20 0 GDADMM CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@H]1CCN(c2ccccc2OC)C1 ZINC000866685740 655954569 /nfs/dbraw/zinc/95/45/69/655954569.db2.gz WFXZWKXWCYZTSE-CQSZACIVSA-N -1 1 389.543 1.864 20 0 GDADMM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CCN(c2cc(Cl)ccc2OC)C1 ZINC000866714729 655956254 /nfs/dbraw/zinc/95/62/54/655956254.db2.gz WCAFWIKRUHSLGN-SPSFWMDKSA-N -1 1 395.934 1.879 20 0 GDADMM CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@@H]1CCN(c2cc(Cl)ccc2OC)C1 ZINC000866714728 655956293 /nfs/dbraw/zinc/95/62/93/655956293.db2.gz WCAFWIKRUHSLGN-SFDCACGMSA-N -1 1 395.934 1.879 20 0 GDADMM C[C@H]([N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F)C(=O)Nc1ccccc1 ZINC000866775313 655961950 /nfs/dbraw/zinc/96/19/50/655961950.db2.gz ZZJOLOOGIUODER-VIFPVBQESA-N -1 1 376.360 1.744 20 0 GDADMM CC[S@@](C)(=O)=NS(=O)(=O)[N-][C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000866801894 655965245 /nfs/dbraw/zinc/96/52/45/655965245.db2.gz WSJBEUHGEAEYLN-APXPCNQMSA-N -1 1 397.469 1.819 20 0 GDADMM COc1cc(OC)cc([C@@H](O)C[N-]S(=O)(=O)c2ccc(Cl)nc2F)c1 ZINC000866832240 655968065 /nfs/dbraw/zinc/96/80/65/655968065.db2.gz COMKQUUJONQPFS-LBPRGKRZSA-N -1 1 390.820 1.903 20 0 GDADMM C[S@@](=O)(=NS(=O)(=O)[N-]C[C@H](CO)Cc1ccccc1)c1ccccc1 ZINC000866832354 655968249 /nfs/dbraw/zinc/96/82/49/655968249.db2.gz ACFSJVPTGYIJKA-GYCJOSAFSA-N -1 1 382.507 1.829 20 0 GDADMM COC(=O)C1(CS(=O)(=O)[N-]C[C@](O)(c2ccccc2)C(F)(F)F)CC1 ZINC000866840027 655969012 /nfs/dbraw/zinc/96/90/12/655969012.db2.gz UOPULHMJOONDCB-AWEZNQCLSA-N -1 1 381.372 1.309 20 0 GDADMM C[S@](=O)(=NS(=O)(=O)[N-]CC[C@@H](O)C(F)(F)F)c1ccccc1F ZINC000866847705 655969908 /nfs/dbraw/zinc/96/99/08/655969908.db2.gz LOJCVAQBRKGBSO-ZQJOYCHOSA-N -1 1 378.369 1.430 20 0 GDADMM C[S@](=O)(=NS(=O)(=O)[N-]CCCOCC1CCOCC1)c1ccccc1 ZINC000866854362 655970660 /nfs/dbraw/zinc/97/06/60/655970660.db2.gz HHTZNBVJVIFIKS-XMMPIXPASA-N -1 1 390.527 1.811 20 0 GDADMM C[S@](=O)(=NS(=O)(=O)[N-]CC1(CO)CC1)c1cccc(Br)c1 ZINC000866908070 655976052 /nfs/dbraw/zinc/97/60/52/655976052.db2.gz DCZHISCSCGMKRF-HXUWFJFHSA-N -1 1 397.316 1.513 20 0 GDADMM CC[S@@](C)(=O)=NS(=O)(=O)[N-]Cc1ccc(C)cc1OCCCOC ZINC000866944288 655980225 /nfs/dbraw/zinc/98/02/25/655980225.db2.gz SUUOXIOIZFCTNW-HSZRJFAPSA-N -1 1 378.516 1.862 20 0 GDADMM O=S(=O)([N-][C@H]1CCCC[C@H]1N1CCOCC1)c1nc[nH]c1Br ZINC000866968173 655982868 /nfs/dbraw/zinc/98/28/68/655982868.db2.gz LGPKYUPMXCOFSH-WDEREUQCSA-N -1 1 393.307 1.094 20 0 GDADMM CC(C)(CO)C[N-]S(=O)(=O)N=[S@@](C)(=O)c1cccc(Br)c1 ZINC000866989617 655984679 /nfs/dbraw/zinc/98/46/79/655984679.db2.gz CXAYUXWXOXIPQW-FQEVSTJZSA-N -1 1 399.332 1.759 20 0 GDADMM Cn1ncc(S(=O)(=O)[N-]C[C@@]2(O)CCc3ccccc32)c1C(F)(F)F ZINC000867005036 655986313 /nfs/dbraw/zinc/98/63/13/655986313.db2.gz ZFZWEFQNKUHZJH-AWEZNQCLSA-N -1 1 375.372 1.551 20 0 GDADMM CS(C)(=O)=NS(=O)(=O)[N-]C[C@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000867010937 655986877 /nfs/dbraw/zinc/98/68/77/655986877.db2.gz BAROWOPRPLHJMS-LLVKDONJSA-N -1 1 388.433 1.418 20 0 GDADMM CCOC(=O)[C@@H](CCOC(C)(C)C)[N-]S(=O)(=O)c1ccc(F)nc1F ZINC000867060609 655992476 /nfs/dbraw/zinc/99/24/76/655992476.db2.gz ONTLVENOWIGXDU-SNVBAGLBSA-N -1 1 380.413 1.775 20 0 GDADMM O=S(=O)(N=S1(=O)CCCC1)[N-]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000867191345 656009224 /nfs/dbraw/zinc/00/92/24/656009224.db2.gz DLGSHFURZAYGDQ-LSDHHAIUSA-N -1 1 376.475 1.388 20 0 GDADMM CC(C)(CO)[C@@H]([N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1F)C1CC1 ZINC000867283490 656030766 /nfs/dbraw/zinc/03/07/66/656030766.db2.gz JCVWUIOGKINXSE-LFVRLGFBSA-N -1 1 378.491 1.914 20 0 GDADMM COC(=O)[C@@H](Cc1ccncc1)[N-]S(=O)(=O)C[C@@]1(C)CC1(Cl)Cl ZINC000867293996 656032686 /nfs/dbraw/zinc/03/26/86/656032686.db2.gz AEUDSMRGSLZRDC-DGCLKSJQSA-N -1 1 381.281 1.669 20 0 GDADMM Cc1cc(C[C@@H](C)[N-]S(=O)(=O)c2ccc(Br)nc2F)[nH]n1 ZINC000867335942 656040838 /nfs/dbraw/zinc/04/08/38/656040838.db2.gz DFTDSEQLFZSICU-MRVPVSSYSA-N -1 1 377.239 1.924 20 0 GDADMM CCc1ncc(C[N-]S(=O)(=O)c2cnn(C)c2I)o1 ZINC000867362513 656045357 /nfs/dbraw/zinc/04/53/57/656045357.db2.gz UDHBOHXPDZYYLF-UHFFFAOYSA-N -1 1 396.210 1.054 20 0 GDADMM CN(C)C[C@@H]([N-]S(=O)(=O)N=S(C)(C)=O)c1cccc(C(F)(F)F)c1 ZINC000867578015 656087500 /nfs/dbraw/zinc/08/75/00/656087500.db2.gz DSCASLYEMDWCAP-GFCCVEGCSA-N -1 1 387.449 1.870 20 0 GDADMM Cn1cnc(S(=O)(=O)[N-]C2CCN(CC(=O)OC(C)(C)C)CC2)c1Cl ZINC000867768447 656113277 /nfs/dbraw/zinc/11/32/77/656113277.db2.gz BRDKMWSKZQQUHB-UHFFFAOYSA-N -1 1 392.909 1.158 20 0 GDADMM C[C@@H](C[N-]S(=O)(=O)c1ncn(C)c1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000867781151 656115887 /nfs/dbraw/zinc/11/58/87/656115887.db2.gz SSTCDOQWJIFHDT-JTQLQIEISA-N -1 1 391.902 1.559 20 0 GDADMM C[C@@H]1OCC[C@]1(O)CNC(=O)c1ccc(I)cc1[O-] ZINC000867909790 656133322 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20 0 GDADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]CC(=O)Nc1ccc(C)cc1Cl ZINC000912537325 660041611 /nfs/dbraw/zinc/04/16/11/660041611.db2.gz DWJJNTOPWQVVTO-UHFFFAOYSA-N -1 1 386.817 1.075 20 0 GDADMM COC(=O)c1c[n-]nc1S(=O)(=O)Oc1c(Br)cccc1OC ZINC000912542834 660041847 /nfs/dbraw/zinc/04/18/47/660041847.db2.gz RRQFZQVXOGCLKS-UHFFFAOYSA-N -1 1 391.199 1.735 20 0 GDADMM C[C@]1(CO)C[C@@H](O)CN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000912655942 660046612 /nfs/dbraw/zinc/04/66/12/660046612.db2.gz KBKNDTWBSSBOJJ-JDNHERCYSA-N -1 1 381.226 1.661 20 0 GDADMM O=C(Cc1ccc(Br)cc1Cl)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913494148 660082708 /nfs/dbraw/zinc/08/27/08/660082708.db2.gz TZPRPNRKWJFXJN-LLVKDONJSA-N -1 1 386.637 1.758 20 0 GDADMM COc1nn2cc(Br)cnc2c1S(=O)(=O)[N-]CC1CCC1 ZINC000913912137 660104290 /nfs/dbraw/zinc/10/42/90/660104290.db2.gz QGUMFJQBJAJHDO-UHFFFAOYSA-N -1 1 375.248 1.579 20 0 GDADMM COC(=O)[C@H]([N-]S(=O)(=O)Cc1ccc(F)cc1Br)C1CC1 ZINC000914210287 660127579 /nfs/dbraw/zinc/12/75/79/660127579.db2.gz PLPBZOBRCOESBY-GFCCVEGCSA-N -1 1 380.235 1.959 20 0 GDADMM CCOC(=O)CC[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000914219213 660128294 /nfs/dbraw/zinc/12/82/94/660128294.db2.gz PWFFQRZONGYQFX-UHFFFAOYSA-N -1 1 384.223 1.828 20 0 GDADMM COC[C@@H](C[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F)OC ZINC000914349382 660141748 /nfs/dbraw/zinc/14/17/48/660141748.db2.gz DHZAXRYQPNHTIG-MRVPVSSYSA-N -1 1 386.239 1.537 20 0 GDADMM COCC[C@H]([N-]S(=O)(=O)Cc1ccc(F)cc1Br)C(=O)OC ZINC000915764045 660178248 /nfs/dbraw/zinc/17/82/48/660178248.db2.gz VLHQIIXZEKUBHF-LBPRGKRZSA-N -1 1 398.250 1.586 20 0 GDADMM CN(C)[C@@H](CNC(=O)N[C@]1(C(=O)[O-])CCOC1)c1cccc(C(F)(F)F)c1 ZINC000909125127 939383385 /nfs/dbraw/zinc/38/33/85/939383385.db2.gz BLALSKJVMDXMCC-XJKSGUPXSA-N -1 1 389.374 1.851 20 0 GDADMM CO[C@@H]1CCC[C@@H]([C@H](NC(=O)c2ccnc(N3CCN(C)CC3)c2)C(=O)[O-])C1 ZINC000909906782 939740311 /nfs/dbraw/zinc/74/03/11/939740311.db2.gz GSYQOAZMWVOPCF-KYJSFNMBSA-N -1 1 390.484 1.222 20 0 GDADMM O=C([O-])CNC(=O)CN(Cc1cccc(Br)c1)C1CCOCC1 ZINC001611471075 971071435 /nfs/dbraw/zinc/07/14/35/971071435.db2.gz RBLWAAJGFSQRRH-UHFFFAOYSA-N -1 1 385.258 1.631 20 0 GDADMM CN(C[C@@H]1CCCCN1C(=O)c1nccs1)c1cncc(-c2nnn[n-]2)n1 ZINC001571261874 945431601 /nfs/dbraw/zinc/43/16/01/945431601.db2.gz KYYKNVMXPZRHJO-NSHDSACASA-N -1 1 385.457 1.244 20 0 GDADMM CN(C[C@@H]1CCCCN1C(=O)c1nccs1)c1cncc(-c2nn[n-]n2)n1 ZINC001571261874 945431611 /nfs/dbraw/zinc/43/16/11/945431611.db2.gz KYYKNVMXPZRHJO-NSHDSACASA-N -1 1 385.457 1.244 20 0 GDADMM CCc1ncsc1C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571262792 945442084 /nfs/dbraw/zinc/44/20/84/945442084.db2.gz YFPARVKZLJVDIO-BXKDBHETSA-N -1 1 385.457 1.248 20 0 GDADMM CCc1ncsc1C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571262792 945442093 /nfs/dbraw/zinc/44/20/93/945442093.db2.gz YFPARVKZLJVDIO-BXKDBHETSA-N -1 1 385.457 1.248 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(N(C)C(=O)c3nccs3)CC2)n1 ZINC001571262744 945442526 /nfs/dbraw/zinc/44/25/26/945442526.db2.gz WUEXJJNPWXNPMK-UHFFFAOYSA-N -1 1 385.457 1.163 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(N(C)C(=O)c3nccs3)CC2)n1 ZINC001571262744 945442531 /nfs/dbraw/zinc/44/25/31/945442531.db2.gz WUEXJJNPWXNPMK-UHFFFAOYSA-N -1 1 385.457 1.163 20 0 GDADMM Cc1nc(C(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)[C@@H]2C)sc1C ZINC001571262845 945443767 /nfs/dbraw/zinc/44/37/67/945443767.db2.gz AEHXXIGTTPEGRR-GXSJLCMTSA-N -1 1 385.457 1.445 20 0 GDADMM Cc1nc(C(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)[C@@H]2C)sc1C ZINC001571262845 945443772 /nfs/dbraw/zinc/44/37/72/945443772.db2.gz AEHXXIGTTPEGRR-GXSJLCMTSA-N -1 1 385.457 1.445 20 0 GDADMM Cc1nscc1C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001571262975 945448389 /nfs/dbraw/zinc/44/83/89/945448389.db2.gz DPEGMTFCUDCMAZ-ZYHUDNBSSA-N -1 1 385.457 1.209 20 0 GDADMM Cc1nscc1C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001571262975 945448394 /nfs/dbraw/zinc/44/83/94/945448394.db2.gz DPEGMTFCUDCMAZ-ZYHUDNBSSA-N -1 1 385.457 1.209 20 0 GDADMM Cc1nc(C(=O)NC2CCN(c3nccnc3-c3nnn[n-]3)CC2)sc1C ZINC001571263593 945460949 /nfs/dbraw/zinc/46/09/49/945460949.db2.gz UREUMWMNMVXLHR-UHFFFAOYSA-N -1 1 385.457 1.129 20 0 GDADMM Cc1nc(C(=O)NC2CCN(c3nccnc3-c3nn[n-]n3)CC2)sc1C ZINC001571263593 945460951 /nfs/dbraw/zinc/46/09/51/945460951.db2.gz UREUMWMNMVXLHR-UHFFFAOYSA-N -1 1 385.457 1.129 20 0 GDADMM Cc1nsc(C)c1C(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C[C@H]1C ZINC001571263874 945469874 /nfs/dbraw/zinc/46/98/74/945469874.db2.gz YTJGZIXBRJIQJX-LDYMZIIASA-N -1 1 385.457 1.445 20 0 GDADMM Cc1nsc(C)c1C(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C[C@H]1C ZINC001571263874 945469876 /nfs/dbraw/zinc/46/98/76/945469876.db2.gz YTJGZIXBRJIQJX-LDYMZIIASA-N -1 1 385.457 1.445 20 0 GDADMM CC(C)(O)CC(=O)N1CCC[C@H]1CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001571264992 945497963 /nfs/dbraw/zinc/49/79/63/945497963.db2.gz BVGGLSPMFYEZDG-QMMMGPOBSA-N -1 1 385.881 1.541 20 0 GDADMM C[C@@H]1CN(C(=O)c2cncc(Cl)c2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571265536 945513542 /nfs/dbraw/zinc/51/35/42/945513542.db2.gz LIPCSGPDTBMJPJ-NOZJJQNGSA-N -1 1 385.819 1.278 20 0 GDADMM C[C@@H]1CN(C(=O)c2cncc(Cl)c2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571265536 945513551 /nfs/dbraw/zinc/51/35/51/945513551.db2.gz LIPCSGPDTBMJPJ-NOZJJQNGSA-N -1 1 385.819 1.278 20 0 GDADMM CO[C@H](C(=O)N1CC[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1)C(C)C ZINC001571265850 945524497 /nfs/dbraw/zinc/52/44/97/945524497.db2.gz QREKZMWTGUBJCA-BDAKNGLRSA-N -1 1 385.881 1.660 20 0 GDADMM CO[C@H](C(=O)N1CC[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1)C(C)C ZINC001571265850 945524506 /nfs/dbraw/zinc/52/45/06/945524506.db2.gz QREKZMWTGUBJCA-BDAKNGLRSA-N -1 1 385.881 1.660 20 0 GDADMM CO[C@@H](C(=O)N1CC[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1)C(C)C ZINC001571265851 945524834 /nfs/dbraw/zinc/52/48/34/945524834.db2.gz QREKZMWTGUBJCA-DTWKUNHWSA-N -1 1 385.881 1.660 20 0 GDADMM CO[C@@H](C(=O)N1CC[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1)C(C)C ZINC001571265851 945524836 /nfs/dbraw/zinc/52/48/36/945524836.db2.gz QREKZMWTGUBJCA-DTWKUNHWSA-N -1 1 385.881 1.660 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001571266349 945539406 /nfs/dbraw/zinc/53/94/06/945539406.db2.gz ZYIPOJSKFWRSLS-NTSWFWBYSA-N -1 1 385.837 1.828 20 0 GDADMM Cc1cc(F)c(C(=O)N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)c(F)c1 ZINC001571267059 945560439 /nfs/dbraw/zinc/56/04/39/945560439.db2.gz IBMZGNKCYCSPHF-UHFFFAOYSA-N -1 1 386.366 1.206 20 0 GDADMM Cc1cc(F)c(C(=O)N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)c(F)c1 ZINC001571267059 945560447 /nfs/dbraw/zinc/56/04/47/945560447.db2.gz IBMZGNKCYCSPHF-UHFFFAOYSA-N -1 1 386.366 1.206 20 0 GDADMM C[C@H](c1ccccc1)[C@H](NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1)C(N)=O ZINC001571267478 945571529 /nfs/dbraw/zinc/57/15/29/945571529.db2.gz WLBLBYOFDHTYCF-PSLIRLAXSA-N -1 1 386.362 1.532 20 0 GDADMM C[C@H](c1ccccc1)[C@H](NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1)C(N)=O ZINC001571267478 945571535 /nfs/dbraw/zinc/57/15/35/945571535.db2.gz WLBLBYOFDHTYCF-PSLIRLAXSA-N -1 1 386.362 1.532 20 0 GDADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)C1(F)CCCC1 ZINC001571268366 945593675 /nfs/dbraw/zinc/59/36/75/945593675.db2.gz FFUUHDOTTCUEHY-YHWZYXNKSA-N -1 1 386.435 1.555 20 0 GDADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)C1(F)CCCC1 ZINC001571268366 945593682 /nfs/dbraw/zinc/59/36/82/945593682.db2.gz FFUUHDOTTCUEHY-YHWZYXNKSA-N -1 1 386.435 1.555 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)COc1ccsc1 ZINC001571270051 945630740 /nfs/dbraw/zinc/63/07/40/945630740.db2.gz LKQSABDSFVGRGH-ZYHUDNBSSA-N -1 1 386.441 1.199 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)COc1ccsc1 ZINC001571270051 945630746 /nfs/dbraw/zinc/63/07/46/945630746.db2.gz LKQSABDSFVGRGH-ZYHUDNBSSA-N -1 1 386.441 1.199 20 0 GDADMM Cc1nsc(N2CC[C@@H](NC(=O)c3cnoc3C3CC3)C2)c1-c1nn[n-]n1 ZINC001571270550 945636586 /nfs/dbraw/zinc/63/65/86/945636586.db2.gz UTPDXAVMRLRGPV-SNVBAGLBSA-N -1 1 386.441 1.506 20 0 GDADMM CN(C[C@@H]1CCCN1C(=O)C[C@H]1CCCCO1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571272178 945656452 /nfs/dbraw/zinc/65/64/52/945656452.db2.gz ADXBZKIHUXKCGM-UONOGXRCSA-N -1 1 386.460 1.043 20 0 GDADMM CN(C[C@@H]1CCCN1C(=O)C[C@H]1CCCCO1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571272178 945656457 /nfs/dbraw/zinc/65/64/57/945656457.db2.gz ADXBZKIHUXKCGM-UONOGXRCSA-N -1 1 386.460 1.043 20 0 GDADMM O=C([C@@H]1CCCCO1)N1CCCCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571272429 945661607 /nfs/dbraw/zinc/66/16/07/945661607.db2.gz DMYDGVFULHBZJS-KGLIPLIRSA-N -1 1 386.460 1.409 20 0 GDADMM O=C([C@@H]1CCCCO1)N1CCCCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571272429 945661613 /nfs/dbraw/zinc/66/16/13/945661613.db2.gz DMYDGVFULHBZJS-KGLIPLIRSA-N -1 1 386.460 1.409 20 0 GDADMM Cc1cc(C)c(C(=O)N(C)[C@@H]2CCN(c3snc(C)c3-c3nn[n-]n3)C2)[nH]1 ZINC001571272636 945667370 /nfs/dbraw/zinc/66/73/70/945667370.db2.gz XUMVYWHBXOWTCO-GFCCVEGCSA-N -1 1 386.485 1.927 20 0 GDADMM CCOC(=O)[C@H](CC)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000821313125 945668999 /nfs/dbraw/zinc/66/89/99/945668999.db2.gz AMDCVKKGRGBWKJ-LBPRGKRZSA-N -1 1 375.433 1.196 20 0 GDADMM CO[C@H](C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)C1CCCCC1 ZINC001571272835 945671265 /nfs/dbraw/zinc/67/12/65/945671265.db2.gz JFMZFDDBBDEPCY-HIFRSBDPSA-N -1 1 386.460 1.265 20 0 GDADMM CO[C@H](C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)C1CCCCC1 ZINC001571272835 945671270 /nfs/dbraw/zinc/67/12/70/945671270.db2.gz JFMZFDDBBDEPCY-HIFRSBDPSA-N -1 1 386.460 1.265 20 0 GDADMM O=C(C1CCOCC1)N1CCCCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571272855 945673452 /nfs/dbraw/zinc/67/34/52/945673452.db2.gz JOEULAHSNFGYII-AWEZNQCLSA-N -1 1 386.460 1.266 20 0 GDADMM O=C(C1CCOCC1)N1CCCCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571272855 945673461 /nfs/dbraw/zinc/67/34/61/945673461.db2.gz JOEULAHSNFGYII-AWEZNQCLSA-N -1 1 386.460 1.266 20 0 GDADMM COc1cccc2c1OC[C@@H](NC(=O)c1cc(F)c(-c3nnn[n-]3)c(F)c1)C2 ZINC001571275564 945708473 /nfs/dbraw/zinc/70/84/73/945708473.db2.gz XAFDDLQKFKWQEY-NSHDSACASA-N -1 1 387.346 1.887 20 0 GDADMM COc1cccc2c1OC[C@@H](NC(=O)c1cc(F)c(-c3nn[n-]n3)c(F)c1)C2 ZINC001571275564 945708480 /nfs/dbraw/zinc/70/84/80/945708480.db2.gz XAFDDLQKFKWQEY-NSHDSACASA-N -1 1 387.346 1.887 20 0 GDADMM CCC1(C(=O)N2CCC(O)(CNc3ccc(-c4nnn[n-]4)nn3)CC2)CCC1 ZINC001571275735 945713243 /nfs/dbraw/zinc/71/32/43/945713243.db2.gz BOFXUDOKTKBOPH-UHFFFAOYSA-N -1 1 386.460 1.002 20 0 GDADMM CCC1(C(=O)N2CCC(O)(CNc3ccc(-c4nn[n-]n4)nn3)CC2)CCC1 ZINC001571275735 945713249 /nfs/dbraw/zinc/71/32/49/945713249.db2.gz BOFXUDOKTKBOPH-UHFFFAOYSA-N -1 1 386.460 1.002 20 0 GDADMM CC1(C(=O)N2CCCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)CCOCC1 ZINC001571276096 945724431 /nfs/dbraw/zinc/72/44/31/945724431.db2.gz HCTVCJXBZMBQJP-ZDUSSCGKSA-N -1 1 386.460 1.266 20 0 GDADMM CC1(C(=O)N2CCCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)CCOCC1 ZINC001571276096 945724439 /nfs/dbraw/zinc/72/44/39/945724439.db2.gz HCTVCJXBZMBQJP-ZDUSSCGKSA-N -1 1 386.460 1.266 20 0 GDADMM CCOC1CC(C(=O)N2CCC(CNc3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001571278461 945753796 /nfs/dbraw/zinc/75/37/96/945753796.db2.gz NKKYPJJCEMKCEF-UHFFFAOYSA-N -1 1 386.460 1.122 20 0 GDADMM CCOC1CC(C(=O)N2CCC(CNc3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001571278461 945753805 /nfs/dbraw/zinc/75/38/05/945753805.db2.gz NKKYPJJCEMKCEF-UHFFFAOYSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1CCN(C(=O)C[C@H]2CCOC2)CC1 ZINC001571278616 945755842 /nfs/dbraw/zinc/75/58/42/945755842.db2.gz PNKDAQUYSLUNOQ-CHWSQXEVSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CCN(C(=O)C[C@H]2CCOC2)CC1 ZINC001571278616 945755849 /nfs/dbraw/zinc/75/58/49/945755849.db2.gz PNKDAQUYSLUNOQ-CHWSQXEVSA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)[C@H]1CCCCO1 ZINC001571279642 945783852 /nfs/dbraw/zinc/78/38/52/945783852.db2.gz XIYZTDMFTQTIOG-CHWSQXEVSA-N -1 1 386.460 1.265 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)[C@H]1CCCCO1 ZINC001571279642 945783861 /nfs/dbraw/zinc/78/38/61/945783861.db2.gz XIYZTDMFTQTIOG-CHWSQXEVSA-N -1 1 386.460 1.265 20 0 GDADMM Cc1c[nH]cc1C(=O)NC[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1 ZINC001571281782 945811485 /nfs/dbraw/zinc/81/14/85/945811485.db2.gz NSXTUYKTLVHMIN-GFCCVEGCSA-N -1 1 387.469 1.196 20 0 GDADMM COc1ccc(N2C[C@@H](C(=O)Nc3ncc(-c4nnn[n-]4)s3)CC2=O)cc1 ZINC000821832107 945879493 /nfs/dbraw/zinc/87/94/93/945879493.db2.gz ZWYQJUIJYQTMJN-VIFPVBQESA-N -1 1 385.409 1.323 20 0 GDADMM COc1ccc(N2C[C@@H](C(=O)Nc3ncc(-c4nn[n-]n4)s3)CC2=O)cc1 ZINC000821832107 945879510 /nfs/dbraw/zinc/87/95/10/945879510.db2.gz ZWYQJUIJYQTMJN-VIFPVBQESA-N -1 1 385.409 1.323 20 0 GDADMM CCn1cc(Cl)cc1C(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571284596 945901877 /nfs/dbraw/zinc/90/18/77/945901877.db2.gz RHVCDACNBWBPGE-UHFFFAOYSA-N -1 1 387.835 1.094 20 0 GDADMM CCn1cc(Cl)cc1C(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571284596 945901884 /nfs/dbraw/zinc/90/18/84/945901884.db2.gz RHVCDACNBWBPGE-UHFFFAOYSA-N -1 1 387.835 1.094 20 0 GDADMM C[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(F)s1 ZINC001571286679 945956253 /nfs/dbraw/zinc/95/62/53/945956253.db2.gz ONRCLLDQDRYTCV-UWVGGRQHSA-N -1 1 388.432 1.384 20 0 GDADMM CC(C)(F)C(=O)N1CCCC[C@H]1[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571289196 945998863 /nfs/dbraw/zinc/99/88/63/945998863.db2.gz WZDZLYHRUYOIKQ-KGLIPLIRSA-N -1 1 388.451 1.755 20 0 GDADMM CC(C)(F)C(=O)N1CCCC[C@H]1[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571289196 945998867 /nfs/dbraw/zinc/99/88/67/945998867.db2.gz WZDZLYHRUYOIKQ-KGLIPLIRSA-N -1 1 388.451 1.755 20 0 GDADMM Cc1nsc(N2C[C@H]3CC[C@@H](C2)N3C(=O)c2cscn2)c1-c1nn[n-]n1 ZINC001571289684 946014032 /nfs/dbraw/zinc/01/40/32/946014032.db2.gz KEHASHGFJMBZIR-AOOOYVTPSA-N -1 1 388.482 1.582 20 0 GDADMM CN(c1nccnc1-c1nnn[n-]1)C1CCN(C(=O)[C@@H]2CCC[C@H](F)C2)CC1 ZINC001571289984 946026944 /nfs/dbraw/zinc/02/69/44/946026944.db2.gz RTSXXNLCWCRJFO-OLZOCXBDSA-N -1 1 388.451 1.612 20 0 GDADMM CN(c1nccnc1-c1nn[n-]n1)C1CCN(C(=O)[C@@H]2CCC[C@H](F)C2)CC1 ZINC001571289984 946026957 /nfs/dbraw/zinc/02/69/57/946026957.db2.gz RTSXXNLCWCRJFO-OLZOCXBDSA-N -1 1 388.451 1.612 20 0 GDADMM Cc1ncoc1C(=O)N1CCC[C@@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571290290 946034906 /nfs/dbraw/zinc/03/49/06/946034906.db2.gz ZUEBUKZPMVOHAT-NSHDSACASA-N -1 1 388.457 1.892 20 0 GDADMM O=C(N[C@@H]1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1occc1Cl ZINC001571290373 946038830 /nfs/dbraw/zinc/03/88/30/946038830.db2.gz CJNZMDVOUMREDE-VHSXEESVSA-N -1 1 388.819 1.478 20 0 GDADMM O=C(NC[C@@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1)c1ccoc1Cl ZINC001571290404 946042393 /nfs/dbraw/zinc/04/23/93/946042393.db2.gz DFKNDLACYNCSQS-JTQLQIEISA-N -1 1 388.819 1.692 20 0 GDADMM O=C(NC[C@@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1)c1ccoc1Cl ZINC001571290404 946042407 /nfs/dbraw/zinc/04/24/07/946042407.db2.gz DFKNDLACYNCSQS-JTQLQIEISA-N -1 1 388.819 1.692 20 0 GDADMM O=C(N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccc(F)cc1Cl ZINC001571290458 946045483 /nfs/dbraw/zinc/04/54/83/946045483.db2.gz FNGBMVIIZVUJBB-SNVBAGLBSA-N -1 1 388.794 1.458 20 0 GDADMM O=C(N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccc(F)cc1Cl ZINC001571290458 946045495 /nfs/dbraw/zinc/04/54/95/946045495.db2.gz FNGBMVIIZVUJBB-SNVBAGLBSA-N -1 1 388.794 1.458 20 0 GDADMM C[C@H]1C[C@@H](NC(=O)c2occc2Cl)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571290538 946048891 /nfs/dbraw/zinc/04/88/91/946048891.db2.gz IINPOMCSGHRKKG-UWVGGRQHSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@H]1C[C@@H](NC(=O)c2occc2Cl)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571290538 946048906 /nfs/dbraw/zinc/04/89/06/946048906.db2.gz IINPOMCSGHRKKG-UWVGGRQHSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(Cl)o2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571290624 946050820 /nfs/dbraw/zinc/05/08/20/946050820.db2.gz KKSJJSXWWDDODN-ZJUUUORDSA-N -1 1 388.819 1.723 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(Cl)o2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571290624 946050831 /nfs/dbraw/zinc/05/08/31/946050831.db2.gz KKSJJSXWWDDODN-ZJUUUORDSA-N -1 1 388.819 1.723 20 0 GDADMM O=C(NC1(C(=O)NCC2CC2)CCCC1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001571295128 946155362 /nfs/dbraw/zinc/15/53/62/946155362.db2.gz ULTXIWVCMOEDEN-UHFFFAOYSA-N -1 1 390.394 1.714 20 0 GDADMM O=C(NC1(C(=O)NCC2CC2)CCCC1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001571295128 946155367 /nfs/dbraw/zinc/15/53/67/946155367.db2.gz ULTXIWVCMOEDEN-UHFFFAOYSA-N -1 1 390.394 1.714 20 0 GDADMM O=C(Cc1cccc(C2CC2)c1)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571297836 946199156 /nfs/dbraw/zinc/19/91/56/946199156.db2.gz AVWNTUJFBUKAKE-MRXNPFEDSA-N -1 1 390.451 1.472 20 0 GDADMM O=C(N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)[C@@H]1CCCc2ccccc21 ZINC001571298010 946203169 /nfs/dbraw/zinc/20/31/69/946203169.db2.gz GYZVIFRVOMPZGP-GDBMZVCRSA-N -1 1 390.451 1.472 20 0 GDADMM O=C(N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)[C@@H]1CCCc2ccccc21 ZINC001571298010 946203177 /nfs/dbraw/zinc/20/31/77/946203177.db2.gz GYZVIFRVOMPZGP-GDBMZVCRSA-N -1 1 390.451 1.472 20 0 GDADMM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)[C@@H](c1ccccc1)C1CC1 ZINC001571298243 946211223 /nfs/dbraw/zinc/21/12/23/946211223.db2.gz KZLMIYGEHZGCHF-YJBOKZPZSA-N -1 1 390.451 1.545 20 0 GDADMM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)[C@@H](c1ccccc1)C1CC1 ZINC001571298243 946211232 /nfs/dbraw/zinc/21/12/32/946211232.db2.gz KZLMIYGEHZGCHF-YJBOKZPZSA-N -1 1 390.451 1.545 20 0 GDADMM O=C(Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1)c1cc(O)ccc1Cl ZINC001571298530 946220079 /nfs/dbraw/zinc/22/00/79/946220079.db2.gz AIUKQWSQUNXSGQ-UHFFFAOYSA-N -1 1 390.791 1.038 20 0 GDADMM O=C(Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1)c1cc(O)ccc1Cl ZINC001571298530 946220091 /nfs/dbraw/zinc/22/00/91/946220091.db2.gz AIUKQWSQUNXSGQ-UHFFFAOYSA-N -1 1 390.791 1.038 20 0 GDADMM COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000325428346 971214399 /nfs/dbraw/zinc/21/43/99/971214399.db2.gz YUPMEIQSDXDCEF-MWLCHTKSSA-N -1 1 376.862 1.808 20 0 GDADMM C[C@H]1C[C@@H]1C(=O)NCc1cccc2c1CCN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001571298818 946231498 /nfs/dbraw/zinc/23/14/98/946231498.db2.gz KWQQVLDSPJANHD-LRDDRELGSA-N -1 1 390.451 1.492 20 0 GDADMM CS(=O)(=O)c1ccc(NC(=O)CSc2cccnc2-c2nnn[n-]2)cc1 ZINC001571298894 946233584 /nfs/dbraw/zinc/23/35/84/946233584.db2.gz LODBMWMURKKBJR-UHFFFAOYSA-N -1 1 390.450 1.396 20 0 GDADMM CS(=O)(=O)c1ccc(NC(=O)CSc2cccnc2-c2nn[n-]n2)cc1 ZINC001571298894 946233592 /nfs/dbraw/zinc/23/35/92/946233592.db2.gz LODBMWMURKKBJR-UHFFFAOYSA-N -1 1 390.450 1.396 20 0 GDADMM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccccc1C1CCC1 ZINC001571298890 946233913 /nfs/dbraw/zinc/23/39/13/946233913.db2.gz RLEHGGLPDBFASD-CQSZACIVSA-N -1 1 390.451 1.933 20 0 GDADMM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccccc1C1CCC1 ZINC001571298890 946233927 /nfs/dbraw/zinc/23/39/27/946233927.db2.gz RLEHGGLPDBFASD-CQSZACIVSA-N -1 1 390.451 1.933 20 0 GDADMM Cc1nc(CC(=O)N[C@H]2C[C@@H](Nc3snc(C)c3-c3nn[n-]n3)C2)cs1 ZINC001571298974 946235002 /nfs/dbraw/zinc/23/50/02/946235002.db2.gz SQTREUVJPMVTOZ-AOOOYVTPSA-N -1 1 390.498 1.698 20 0 GDADMM CCc1nc(N[C@H]2C[C@@H](NC(=O)[C@H]3Cc4ccccc43)C2)cc(-c2nnn[n-]2)n1 ZINC001571298945 946236479 /nfs/dbraw/zinc/23/64/79/946236479.db2.gz MCSVJBZUQTZLBS-GUTXKFCHSA-N -1 1 390.451 1.618 20 0 GDADMM CCc1nc(N[C@H]2C[C@@H](NC(=O)[C@H]3Cc4ccccc43)C2)cc(-c2nn[n-]n2)n1 ZINC001571298945 946236490 /nfs/dbraw/zinc/23/64/90/946236490.db2.gz MCSVJBZUQTZLBS-GUTXKFCHSA-N -1 1 390.451 1.618 20 0 GDADMM CN(C(=O)c1cccc(C2CC2)c1)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571299234 946242657 /nfs/dbraw/zinc/24/26/57/946242657.db2.gz PMCULTYMDLXANY-INIZCTEOSA-N -1 1 390.451 1.885 20 0 GDADMM CN(C(=O)c1cccc(C2CC2)c1)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571299234 946242671 /nfs/dbraw/zinc/24/26/71/946242671.db2.gz PMCULTYMDLXANY-INIZCTEOSA-N -1 1 390.451 1.885 20 0 GDADMM Cc1ncsc1C(=O)N1CC[C@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571299582 946256070 /nfs/dbraw/zinc/25/60/70/946256070.db2.gz XTRJATPGPHHRIC-SNVBAGLBSA-N -1 1 390.498 1.971 20 0 GDADMM C[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CN1C(=O)c1cccc2c1CCC2 ZINC001571300059 946269504 /nfs/dbraw/zinc/26/95/04/946269504.db2.gz ZMIVALJMSORGLC-JSGCOSHPSA-N -1 1 390.451 1.861 20 0 GDADMM C[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CN1C(=O)c1cccc2c1CCC2 ZINC001571300059 946269516 /nfs/dbraw/zinc/26/95/16/946269516.db2.gz ZMIVALJMSORGLC-JSGCOSHPSA-N -1 1 390.451 1.861 20 0 GDADMM Cc1nsc(N2CC[C@H](NC(=O)c3cncc(Cl)c3)C2)c1-c1nn[n-]n1 ZINC001571300217 946274313 /nfs/dbraw/zinc/27/43/13/946274313.db2.gz XDIZFMKNRQLQAR-NSHDSACASA-N -1 1 390.860 1.689 20 0 GDADMM O=C(c1ocnc1C(F)F)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571302395 946302460 /nfs/dbraw/zinc/30/24/60/946302460.db2.gz WKVUIDGYQBCEML-QMMMGPOBSA-N -1 1 391.342 1.157 20 0 GDADMM O=C(c1ocnc1C(F)F)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571302395 946302470 /nfs/dbraw/zinc/30/24/70/946302470.db2.gz WKVUIDGYQBCEML-QMMMGPOBSA-N -1 1 391.342 1.157 20 0 GDADMM COc1ncc(NC(=O)NC[C@H](O)c2c(F)cccc2F)cc1-c1nn[n-]n1 ZINC001571302379 946303390 /nfs/dbraw/zinc/30/33/90/946303390.db2.gz WDHNZGVURSKJAI-LBPRGKRZSA-N -1 1 391.338 1.404 20 0 GDADMM O=C(c1ccccn1)N1CC[C@]2(C1)CCCN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001571302675 946310595 /nfs/dbraw/zinc/31/05/95/946310595.db2.gz FLYMXXKPDDTTHE-LJQANCHMSA-N -1 1 391.439 1.184 20 0 GDADMM O=C(c1ccccn1)N1CC[C@]2(C1)CCCN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001571302675 946310602 /nfs/dbraw/zinc/31/06/02/946310602.db2.gz FLYMXXKPDDTTHE-LJQANCHMSA-N -1 1 391.439 1.184 20 0 GDADMM O=C(c1ccncc1)N1CC[C@]2(C1)CCCN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001571302829 946314573 /nfs/dbraw/zinc/31/45/73/946314573.db2.gz GWOGBTWNPMNUTP-LJQANCHMSA-N -1 1 391.439 1.184 20 0 GDADMM O=C(c1ccncc1)N1CC[C@]2(C1)CCCN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001571302829 946314586 /nfs/dbraw/zinc/31/45/86/946314586.db2.gz GWOGBTWNPMNUTP-LJQANCHMSA-N -1 1 391.439 1.184 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001571303596 946341520 /nfs/dbraw/zinc/34/15/20/946341520.db2.gz NXDFQMJOOYXBLL-YUELXQCFSA-N -1 1 391.439 1.035 20 0 GDADMM Cc1nsc(NCCC2CCN(C(=O)[C@@H]3CCOC3)CC2)c1-c1nn[n-]n1 ZINC001571305411 946359309 /nfs/dbraw/zinc/35/93/09/946359309.db2.gz ANRSHAKBGVKZDW-CYBMUJFWSA-N -1 1 391.501 1.709 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](NC(=O)c3scnc3Cl)C2)n1 ZINC001571305404 946359598 /nfs/dbraw/zinc/35/95/98/946359598.db2.gz ADLHJCXOYNUGST-MRVPVSSYSA-N -1 1 391.848 1.084 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)c3scnc3Cl)C2)n1 ZINC001571305404 946359608 /nfs/dbraw/zinc/35/96/08/946359608.db2.gz ADLHJCXOYNUGST-MRVPVSSYSA-N -1 1 391.848 1.084 20 0 GDADMM CC[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571305425 946360416 /nfs/dbraw/zinc/36/04/16/946360416.db2.gz AVHZGKLUSGJYML-LPWJVIDDSA-N -1 1 391.501 1.753 20 0 GDADMM C[C@@H]1CN(C(=O)c2cnccn2)C[C@H]1Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001571305535 946366581 /nfs/dbraw/zinc/36/65/81/946366581.db2.gz DMPJGMQXFGRNHD-VXNVDRBHSA-N -1 1 391.848 1.339 20 0 GDADMM Cc1nsc(NCC[C@H]2CCN(C(=O)C[C@@H]3CCOC3)C2)c1-c1nn[n-]n1 ZINC001571305654 946368767 /nfs/dbraw/zinc/36/87/67/946368767.db2.gz IMWDYLXVNCFCFL-STQMWFEESA-N -1 1 391.501 1.709 20 0 GDADMM CC[C@H]1CC[C@H](C(=O)NC2CCN(c3snc(C)c3-c3nn[n-]n3)CC2)O1 ZINC001571305801 946374882 /nfs/dbraw/zinc/37/48/82/946374882.db2.gz KHNYFHYKXXRIMK-QWHCGFSZSA-N -1 1 391.501 1.674 20 0 GDADMM Cc1nsc(N2CCC(N(C)C(=O)c3cnsn3)CC2)c1-c1nn[n-]n1 ZINC001571306064 946385757 /nfs/dbraw/zinc/38/57/57/946385757.db2.gz OWCLSPYIKFDUIA-UHFFFAOYSA-N -1 1 391.486 1.224 20 0 GDADMM Cc1nsc(N(CCO)[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3C)C2)c1-c1nn[n-]n1 ZINC001571306308 946393190 /nfs/dbraw/zinc/39/31/90/946393190.db2.gz SAPIIGGOEFLUSX-RAIGVLPGSA-N -1 1 391.501 1.077 20 0 GDADMM O=C(N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ncc(Cl)s1 ZINC001571306398 946400801 /nfs/dbraw/zinc/40/08/01/946400801.db2.gz VNOWSSARWCTHKS-MRVPVSSYSA-N -1 1 391.848 1.165 20 0 GDADMM O=C(N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ncc(Cl)s1 ZINC001571306398 946400804 /nfs/dbraw/zinc/40/08/04/946400804.db2.gz VNOWSSARWCTHKS-MRVPVSSYSA-N -1 1 391.848 1.165 20 0 GDADMM Cc1nsc(N2CCC(CNC(=O)[C@@H]3CCO[C@@H]3C)CC2)c1-c1nn[n-]n1 ZINC001571306540 946402096 /nfs/dbraw/zinc/40/20/96/946402096.db2.gz WYNISPPHIWQTSE-DGCLKSJQSA-N -1 1 391.501 1.389 20 0 GDADMM CN(c1snc(Cl)c1-c1nnn[n-]1)[C@H]1CCN(C(=O)c2ccnnc2)C1 ZINC001571306532 946402793 /nfs/dbraw/zinc/40/27/93/946402793.db2.gz WWYKIFMQUXECCO-VIFPVBQESA-N -1 1 391.848 1.118 20 0 GDADMM CN(c1snc(Cl)c1-c1nn[n-]n1)[C@H]1CCN(C(=O)c2ccnnc2)C1 ZINC001571306532 946402803 /nfs/dbraw/zinc/40/28/03/946402803.db2.gz WWYKIFMQUXECCO-VIFPVBQESA-N -1 1 391.848 1.118 20 0 GDADMM COc1ccsc1C(=O)N[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571306563 946405727 /nfs/dbraw/zinc/40/57/27/946405727.db2.gz XKTSYQAMNAGNCE-SECBINFHSA-N -1 1 391.482 1.710 20 0 GDADMM O=C(Nc1ccc(F)nc1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000823345777 946413971 /nfs/dbraw/zinc/41/39/71/946413971.db2.gz DZWJGJHPMPBTEU-UHFFFAOYSA-N -1 1 399.390 1.620 20 0 GDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000823379720 946419107 /nfs/dbraw/zinc/41/91/07/946419107.db2.gz GDOJFMUPPUQSIL-MRVPVSSYSA-N -1 1 389.828 1.968 20 0 GDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000823379720 946419116 /nfs/dbraw/zinc/41/91/16/946419116.db2.gz GDOJFMUPPUQSIL-MRVPVSSYSA-N -1 1 389.828 1.968 20 0 GDADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001571307252 946420402 /nfs/dbraw/zinc/42/04/02/946420402.db2.gz BBFKSCXABYVCAL-RYUDHWBXSA-N -1 1 392.414 1.519 20 0 GDADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001571307252 946420408 /nfs/dbraw/zinc/42/04/08/946420408.db2.gz BBFKSCXABYVCAL-RYUDHWBXSA-N -1 1 392.414 1.519 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)[C@H]3C[C@@H]3C(F)F)[C@H]2C)n1 ZINC001571308615 946435751 /nfs/dbraw/zinc/43/57/51/946435751.db2.gz SKBPZHLXIWKPNT-RCWTZXSCSA-N -1 1 392.414 1.204 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)[C@H]3C[C@@H]3C(F)F)[C@H]2C)n1 ZINC001571308615 946435759 /nfs/dbraw/zinc/43/57/59/946435759.db2.gz SKBPZHLXIWKPNT-RCWTZXSCSA-N -1 1 392.414 1.204 20 0 GDADMM CCc1nc(NC[C@@]2(C)CCN(C(=O)[C@H]3CC3(F)F)C2)cc(-c2nnn[n-]2)n1 ZINC001571309362 946442324 /nfs/dbraw/zinc/44/23/24/946442324.db2.gz YHFKQBOBAVGRCH-QLJPJBMISA-N -1 1 392.414 1.525 20 0 GDADMM CCc1nc(NC[C@@]2(C)CCN(C(=O)[C@H]3CC3(F)F)C2)cc(-c2nn[n-]n2)n1 ZINC001571309362 946442332 /nfs/dbraw/zinc/44/23/32/946442332.db2.gz YHFKQBOBAVGRCH-QLJPJBMISA-N -1 1 392.414 1.525 20 0 GDADMM CCc1nc(NC[C@]2(C)CCN(C(=O)[C@H]3CC3(F)F)C2)cc(-c2nnn[n-]2)n1 ZINC001571309359 946442548 /nfs/dbraw/zinc/44/25/48/946442548.db2.gz YHFKQBOBAVGRCH-HWPZZCPQSA-N -1 1 392.414 1.525 20 0 GDADMM CCc1nc(NC[C@]2(C)CCN(C(=O)[C@H]3CC3(F)F)C2)cc(-c2nn[n-]n2)n1 ZINC001571309359 946442560 /nfs/dbraw/zinc/44/25/60/946442560.db2.gz YHFKQBOBAVGRCH-HWPZZCPQSA-N -1 1 392.414 1.525 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCc2cccc3c2OC(F)(F)O3)n1 ZINC001571309423 946444748 /nfs/dbraw/zinc/44/47/48/946444748.db2.gz ZPDQFKYFAUWHFK-UHFFFAOYSA-N -1 1 392.326 1.286 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCc2cccc3c2OC(F)(F)O3)n1 ZINC001571309423 946444754 /nfs/dbraw/zinc/44/47/54/946444754.db2.gz ZPDQFKYFAUWHFK-UHFFFAOYSA-N -1 1 392.326 1.286 20 0 GDADMM O=C(C[C@@H]1CCCC1(F)F)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571309808 946455720 /nfs/dbraw/zinc/45/57/20/946455720.db2.gz LJUBSNDKGYZETH-NWDGAFQWSA-N -1 1 392.414 1.885 20 0 GDADMM O=C(C[C@@H]1CCCC1(F)F)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571309808 946455725 /nfs/dbraw/zinc/45/57/25/946455725.db2.gz LJUBSNDKGYZETH-NWDGAFQWSA-N -1 1 392.414 1.885 20 0 GDADMM O=C(NCc1ccc(CNc2cnc(-c3nnn[n-]3)cn2)cc1)C1=COCCC1 ZINC001571309993 946459987 /nfs/dbraw/zinc/45/99/87/946459987.db2.gz RKWOQJJDPZAMKX-UHFFFAOYSA-N -1 1 392.423 1.579 20 0 GDADMM O=C(NCc1ccc(CNc2cnc(-c3nn[n-]n3)cn2)cc1)C1=COCCC1 ZINC001571309993 946459991 /nfs/dbraw/zinc/45/99/91/946459991.db2.gz RKWOQJJDPZAMKX-UHFFFAOYSA-N -1 1 392.423 1.579 20 0 GDADMM O=C(NC[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)[C@@H]1CCC(F)(F)C1 ZINC001571310233 946466177 /nfs/dbraw/zinc/46/61/77/946466177.db2.gz ZDFVMLQONOAGFU-VXGBXAGGSA-N -1 1 392.414 1.425 20 0 GDADMM O=C(NC[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)[C@@H]1CCC(F)(F)C1 ZINC001571310233 946466181 /nfs/dbraw/zinc/46/61/81/946466181.db2.gz ZDFVMLQONOAGFU-VXGBXAGGSA-N -1 1 392.414 1.425 20 0 GDADMM CCc1cccc(CC(=O)N2CCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)c1 ZINC001571312689 946497868 /nfs/dbraw/zinc/49/78/68/946497868.db2.gz AKALTOXBZRLEHZ-MRXNPFEDSA-N -1 1 392.467 1.865 20 0 GDADMM CCc1cccc(CC(=O)N2CCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)c1 ZINC001571312689 946497879 /nfs/dbraw/zinc/49/78/79/946497879.db2.gz AKALTOXBZRLEHZ-MRXNPFEDSA-N -1 1 392.467 1.865 20 0 GDADMM C[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571313234 946515524 /nfs/dbraw/zinc/51/55/24/946515524.db2.gz KPCWQFOZXXXOCZ-HOCLYGCPSA-N -1 1 392.467 1.360 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@H](NC(=O)c3ccccc3C)C2)n1 ZINC001571313483 946522277 /nfs/dbraw/zinc/52/22/77/946522277.db2.gz PZKBFTBWYYETRX-AWEZNQCLSA-N -1 1 392.467 1.926 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@H](NC(=O)c3ccccc3C)C2)n1 ZINC001571313483 946522281 /nfs/dbraw/zinc/52/22/81/946522281.db2.gz PZKBFTBWYYETRX-AWEZNQCLSA-N -1 1 392.467 1.926 20 0 GDADMM CCc1ccc([C@H](C)C(=O)N2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)cc1 ZINC001571313457 946523012 /nfs/dbraw/zinc/52/30/12/946523012.db2.gz OPHSZAGORXGLNC-AWEZNQCLSA-N -1 1 392.467 1.671 20 0 GDADMM CC(=O)N1CCCc2cc(NC(=O)Cc3noc(C)c3-c3nnn[n-]3)ccc21 ZINC000823980992 946532187 /nfs/dbraw/zinc/53/21/87/946532187.db2.gz IMHFXHYFQNRDDQ-UHFFFAOYSA-N -1 1 381.396 1.643 20 0 GDADMM CC(=O)N1CCCc2cc(NC(=O)Cc3noc(C)c3-c3nn[n-]n3)ccc21 ZINC000823980992 946532193 /nfs/dbraw/zinc/53/21/93/946532193.db2.gz IMHFXHYFQNRDDQ-UHFFFAOYSA-N -1 1 381.396 1.643 20 0 GDADMM O=C(c1ccccc1O)N1CCC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571314032 946539002 /nfs/dbraw/zinc/53/90/02/946539002.db2.gz ZQZOAHQENKDJRG-SWLSCSKDSA-N -1 1 392.423 1.103 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H](CN(C)c3cncc(-c4nnn[n-]4)n3)C2)c(C)c1 ZINC001571314944 946546487 /nfs/dbraw/zinc/54/64/87/946546487.db2.gz DXXGMXVFCQGAHZ-OAHLLOKOSA-N -1 1 392.467 1.872 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H](CN(C)c3cncc(-c4nn[n-]n4)n3)C2)c(C)c1 ZINC001571314944 946546494 /nfs/dbraw/zinc/54/64/94/946546494.db2.gz DXXGMXVFCQGAHZ-OAHLLOKOSA-N -1 1 392.467 1.872 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@H]([C@H](C)Nc3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001571315400 946552279 /nfs/dbraw/zinc/55/22/79/946552279.db2.gz JMTQFGICUIZYKD-HOCLYGCPSA-N -1 1 392.467 1.857 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@H]([C@H](C)Nc3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001571315400 946552289 /nfs/dbraw/zinc/55/22/89/946552289.db2.gz JMTQFGICUIZYKD-HOCLYGCPSA-N -1 1 392.467 1.857 20 0 GDADMM Cc1ccc(C)c(CC(=O)N(C)[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571316046 946564097 /nfs/dbraw/zinc/56/40/97/946564097.db2.gz SJHCJVRWUWQEDE-INIZCTEOSA-N -1 1 392.467 1.553 20 0 GDADMM Cc1ccc(C)c(CC(=O)N(C)[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571316046 946564101 /nfs/dbraw/zinc/56/41/01/946564101.db2.gz SJHCJVRWUWQEDE-INIZCTEOSA-N -1 1 392.467 1.553 20 0 GDADMM Cc1cc(C)cc(CC(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571316008 946564426 /nfs/dbraw/zinc/56/44/26/946564426.db2.gz ROPWDOWCPRRBLS-RHSMWYFYSA-N -1 1 392.467 1.775 20 0 GDADMM Cc1cc(C)cc(CC(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571316008 946564442 /nfs/dbraw/zinc/56/44/42/946564442.db2.gz ROPWDOWCPRRBLS-RHSMWYFYSA-N -1 1 392.467 1.775 20 0 GDADMM Cc1ccccc1[C@@H](C)C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571316614 946582197 /nfs/dbraw/zinc/58/21/97/946582197.db2.gz ICORNJBELOFQND-CABCVRRESA-N -1 1 392.467 1.854 20 0 GDADMM Cc1ccccc1[C@@H](C)C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571316614 946582208 /nfs/dbraw/zinc/58/22/08/946582208.db2.gz ICORNJBELOFQND-CABCVRRESA-N -1 1 392.467 1.854 20 0 GDADMM O=C(C1=CCCC1)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(c2nccnc2-c2nnn[n-]2)C1 ZINC001571316593 946582666 /nfs/dbraw/zinc/58/26/66/946582666.db2.gz HJCOBLJEAVOMIO-VGWMRTNUSA-N -1 1 392.467 1.440 20 0 GDADMM O=C(C1=CCCC1)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(c2nccnc2-c2nn[n-]n2)C1 ZINC001571316593 946582677 /nfs/dbraw/zinc/58/26/77/946582677.db2.gz HJCOBLJEAVOMIO-VGWMRTNUSA-N -1 1 392.467 1.440 20 0 GDADMM Cc1ccn(C)c1C(=O)N[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571317686 946619497 /nfs/dbraw/zinc/61/94/97/946619497.db2.gz QVEOVTCVHZAHTK-VIFPVBQESA-N -1 1 392.876 1.632 20 0 GDADMM Cc1ccn(C)c1C(=O)N[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571317686 946619500 /nfs/dbraw/zinc/61/95/00/946619500.db2.gz QVEOVTCVHZAHTK-VIFPVBQESA-N -1 1 392.876 1.632 20 0 GDADMM O=C(NC[C@H]1CCCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1)c1cc[nH]c1 ZINC001571317929 946623209 /nfs/dbraw/zinc/62/32/09/946623209.db2.gz YYZVBONUQPUBDT-SECBINFHSA-N -1 1 392.876 1.951 20 0 GDADMM CC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001573555674 946913676 /nfs/dbraw/zinc/91/36/76/946913676.db2.gz DPYXKXRFMDZEAX-UHFFFAOYSA-N -1 1 392.828 1.596 20 0 GDADMM CC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001573555674 946913682 /nfs/dbraw/zinc/91/36/82/946913682.db2.gz DPYXKXRFMDZEAX-UHFFFAOYSA-N -1 1 392.828 1.596 20 0 GDADMM CC(=O)c1ccc(CCNS(=O)(=O)Cc2csc(-c3nn[n-]n3)c2)cc1 ZINC001573556593 946929811 /nfs/dbraw/zinc/92/98/11/946929811.db2.gz SZRMUDNMBKLTJX-UHFFFAOYSA-N -1 1 391.478 1.793 20 0 GDADMM CCC[C@@H](NC(=O)c1cc(C)n(-c2cccc(-c3nn[nH]n3)c2)n1)c1nn[n-]n1 ZINC000825242049 947130688 /nfs/dbraw/zinc/13/06/88/947130688.db2.gz GXIBNDLHSZKXOV-CYBMUJFWSA-N -1 1 393.415 1.145 20 0 GDADMM CCCNC(=O)c1cccc(CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)c1 ZINC000825331900 947156890 /nfs/dbraw/zinc/15/68/90/947156890.db2.gz CLWWEJSPCMKJQG-UHFFFAOYSA-N -1 1 383.412 1.162 20 0 GDADMM CCCNC(=O)c1cccc(CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)c1 ZINC000825331900 947156894 /nfs/dbraw/zinc/15/68/94/947156894.db2.gz CLWWEJSPCMKJQG-UHFFFAOYSA-N -1 1 383.412 1.162 20 0 GDADMM C=C/C(C)=C/CC(=O)N1CCCC[C@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001573315683 947255530 /nfs/dbraw/zinc/25/55/30/947255530.db2.gz DNHPCUSVGNRSDC-NHXNDTTKSA-N -1 1 382.472 1.996 20 0 GDADMM C=C/C(C)=C/CC(=O)N1CCCC[C@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001573315683 947255544 /nfs/dbraw/zinc/25/55/44/947255544.db2.gz DNHPCUSVGNRSDC-NHXNDTTKSA-N -1 1 382.472 1.996 20 0 GDADMM C=C/C(C)=C/CC(=O)NC[C@H]1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573317800 947300177 /nfs/dbraw/zinc/30/01/77/947300177.db2.gz PQNCWVKUFOGSOR-MYWXAZLQSA-N -1 1 382.472 1.820 20 0 GDADMM C=C/C(C)=C/CC(=O)NC[C@H]1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573317800 947300186 /nfs/dbraw/zinc/30/01/86/947300186.db2.gz PQNCWVKUFOGSOR-MYWXAZLQSA-N -1 1 382.472 1.820 20 0 GDADMM C=C/C(C)=C\CC(=O)NC[C@H]1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573317799 947300704 /nfs/dbraw/zinc/30/07/04/947300704.db2.gz PQNCWVKUFOGSOR-LPYTZGJOSA-N -1 1 382.472 1.820 20 0 GDADMM C=C/C(C)=C\CC(=O)NC[C@H]1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573317799 947300719 /nfs/dbraw/zinc/30/07/19/947300719.db2.gz PQNCWVKUFOGSOR-LPYTZGJOSA-N -1 1 382.472 1.820 20 0 GDADMM C[C@@H](C(=O)N(C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C(C)(F)F ZINC001573591496 947311868 /nfs/dbraw/zinc/31/18/68/947311868.db2.gz BXWKFOOBKONMQV-JTQLQIEISA-N -1 1 380.403 1.375 20 0 GDADMM C[C@@H](C(=O)N(C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C(C)(F)F ZINC001573591496 947311880 /nfs/dbraw/zinc/31/18/80/947311880.db2.gz BXWKFOOBKONMQV-JTQLQIEISA-N -1 1 380.403 1.375 20 0 GDADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1ccnc(-c2nn[n-]n2)n1)n1cccc1 ZINC001573591472 947313595 /nfs/dbraw/zinc/31/35/95/947313595.db2.gz BTPQOKMJYWEBFJ-CYBMUJFWSA-N -1 1 383.460 1.038 20 0 GDADMM C[C@H](C(=O)N(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)C1CCCC1 ZINC001573593012 947358801 /nfs/dbraw/zinc/35/88/01/947358801.db2.gz HNIXWFRLTWDXMY-WFASDCNBSA-N -1 1 384.488 1.554 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cc2c(cc1O)CCCC2 ZINC000825935040 947379883 /nfs/dbraw/zinc/37/98/83/947379883.db2.gz SKPBAFATUMWGDR-UHFFFAOYSA-N -1 1 396.455 1.461 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cc2c(cc1O)CCCC2 ZINC000825935040 947379899 /nfs/dbraw/zinc/37/98/99/947379899.db2.gz SKPBAFATUMWGDR-UHFFFAOYSA-N -1 1 396.455 1.461 20 0 GDADMM C[C@@H](C(=O)N(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)C(C)(F)F ZINC001573593888 947381234 /nfs/dbraw/zinc/38/12/34/947381234.db2.gz MNTPGGQFWIUFJT-JOYOIKCWSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@@H](C(=O)N(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)C(C)(F)F ZINC001573593888 947381240 /nfs/dbraw/zinc/38/12/40/947381240.db2.gz MNTPGGQFWIUFJT-JOYOIKCWSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1nccnc1-c1nnn[n-]1)[C@H]1CCCO1 ZINC001573594423 947395700 /nfs/dbraw/zinc/39/57/00/947395700.db2.gz YUYMRPPVDLUEHY-CHWSQXEVSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1nccnc1-c1nn[n-]n1)[C@H]1CCCO1 ZINC001573594423 947395713 /nfs/dbraw/zinc/39/57/13/947395713.db2.gz YUYMRPPVDLUEHY-CHWSQXEVSA-N -1 1 388.476 1.368 20 0 GDADMM COC(=O)[C@H](C)[C@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)c1ccccc1 ZINC000826099120 947426911 /nfs/dbraw/zinc/42/69/11/947426911.db2.gz YWZCSIOGWBHRRY-HWPZZCPQSA-N -1 1 384.396 1.372 20 0 GDADMM COC(=O)[C@H](C)[C@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)c1ccccc1 ZINC000826099120 947426916 /nfs/dbraw/zinc/42/69/16/947426916.db2.gz YWZCSIOGWBHRRY-HWPZZCPQSA-N -1 1 384.396 1.372 20 0 GDADMM C[C@@H](C(=O)N(C)CCCN(C)c1cncc(-c2nnn[n-]2)n1)c1cccnc1 ZINC001573599022 947449141 /nfs/dbraw/zinc/44/91/41/947449141.db2.gz UJMPOHGQPUYEJG-CYBMUJFWSA-N -1 1 381.444 1.140 20 0 GDADMM C[C@@H](C(=O)N(C)CCCN(C)c1cncc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001573599022 947449148 /nfs/dbraw/zinc/44/91/48/947449148.db2.gz UJMPOHGQPUYEJG-CYBMUJFWSA-N -1 1 381.444 1.140 20 0 GDADMM C[C@H](C(=O)N(C)CCCNc1nccnc1-c1nnn[n-]1)c1cccc(F)c1 ZINC001573603286 947481796 /nfs/dbraw/zinc/48/17/96/947481796.db2.gz JPWXFGRLLUXTDE-LBPRGKRZSA-N -1 1 384.419 1.860 20 0 GDADMM C[C@H](C(=O)N(C)CCCNc1nccnc1-c1nn[n-]n1)c1cccc(F)c1 ZINC001573603286 947481801 /nfs/dbraw/zinc/48/18/01/947481801.db2.gz JPWXFGRLLUXTDE-LBPRGKRZSA-N -1 1 384.419 1.860 20 0 GDADMM C[C@H](C(=O)N(C)CCNc1nc(Cl)c(-c2nnn[n-]2)s1)[C@@H]1CCCO1 ZINC001573604761 947517468 /nfs/dbraw/zinc/51/74/68/947517468.db2.gz RDXNVJRBXYVIMI-IUCAKERBSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@H](C(=O)N(C)CCNc1nc(Cl)c(-c2nn[n-]n2)s1)[C@@H]1CCCO1 ZINC001573604761 947517473 /nfs/dbraw/zinc/51/74/73/947517473.db2.gz RDXNVJRBXYVIMI-IUCAKERBSA-N -1 1 385.881 1.662 20 0 GDADMM COCc1nnc(-c2cccc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)c2)o1 ZINC000826165994 947523238 /nfs/dbraw/zinc/52/32/38/947523238.db2.gz RALIVORNMPRMKY-UHFFFAOYSA-N -1 1 393.363 1.815 20 0 GDADMM COCc1nnc(-c2cccc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)c2)o1 ZINC000826165994 947523243 /nfs/dbraw/zinc/52/32/43/947523243.db2.gz RALIVORNMPRMKY-UHFFFAOYSA-N -1 1 393.363 1.815 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C(C)(C)C1)n1cccc1 ZINC001573613800 947570881 /nfs/dbraw/zinc/57/08/81/947570881.db2.gz JCKJCIQOKJNZBG-QWHCGFSZSA-N -1 1 381.444 1.368 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C(C)(C)C1)n1cccc1 ZINC001573613800 947570887 /nfs/dbraw/zinc/57/08/87/947570887.db2.gz JCKJCIQOKJNZBG-QWHCGFSZSA-N -1 1 381.444 1.368 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)C1CCCC1 ZINC001573613775 947571255 /nfs/dbraw/zinc/57/12/55/947571255.db2.gz IKTQYPHCMVRZCE-YUELXQCFSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)C1CCCC1 ZINC001573613775 947571266 /nfs/dbraw/zinc/57/12/66/947571266.db2.gz IKTQYPHCMVRZCE-YUELXQCFSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H](C(=O)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1)C1CCCC1 ZINC001573614394 947582670 /nfs/dbraw/zinc/58/26/70/947582670.db2.gz DWKOGBATHDNGEM-CYBMUJFWSA-N -1 1 384.488 1.555 20 0 GDADMM C[C@H](C(=O)N1CCC(CNc2ccc(-c3nnn[n-]3)nn2)CC1)n1cccc1 ZINC001573615205 947602373 /nfs/dbraw/zinc/60/23/73/947602373.db2.gz JBCJRKHNVIZIDM-CYBMUJFWSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@H](C(=O)N1CCC(CNc2ccc(-c3nn[n-]n3)nn2)CC1)n1cccc1 ZINC001573615205 947602383 /nfs/dbraw/zinc/60/23/83/947602383.db2.gz JBCJRKHNVIZIDM-CYBMUJFWSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1)C(C)(F)F ZINC001573615722 947610789 /nfs/dbraw/zinc/61/07/89/947610789.db2.gz JXMXZZRXMBBRRQ-QWRGUYRKSA-N -1 1 380.403 1.233 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1)C(C)(F)F ZINC001573615722 947610794 /nfs/dbraw/zinc/61/07/94/947610794.db2.gz JXMXZZRXMBBRRQ-QWRGUYRKSA-N -1 1 380.403 1.233 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1cccs1 ZINC001573616001 947614956 /nfs/dbraw/zinc/61/49/56/947614956.db2.gz GZXTVTKJLFQHSS-NWDGAFQWSA-N -1 1 384.469 1.782 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573616001 947614963 /nfs/dbraw/zinc/61/49/63/947614963.db2.gz GZXTVTKJLFQHSS-NWDGAFQWSA-N -1 1 384.469 1.782 20 0 GDADMM C[C@@H](C(=O)N1CCC(C)(Nc2ccnc(-c3nn[n-]n3)n2)CC1)c1ccco1 ZINC001573617852 947643939 /nfs/dbraw/zinc/64/39/39/947643939.db2.gz PTGMGAOSMCVXGE-GFCCVEGCSA-N -1 1 382.428 1.268 20 0 GDADMM C[C@H](C(=O)N1CC[C@](C)(CNc2cncc(-c3nnn[n-]3)n2)C1)C(C)(F)F ZINC001573618265 947648086 /nfs/dbraw/zinc/64/80/86/947648086.db2.gz RHJRQCGYSGYXDF-MEBBXXQBSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H](C(=O)N1CC[C@](C)(CNc2cncc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573618265 947648094 /nfs/dbraw/zinc/64/80/94/947648094.db2.gz RHJRQCGYSGYXDF-MEBBXXQBSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H](C(=O)N1CCC(CCN(C)c2nccnc2-c2nnn[n-]2)CC1)C1CC1 ZINC001573618897 947657980 /nfs/dbraw/zinc/65/79/80/947657980.db2.gz SSLQDPLBHPIUCH-CYBMUJFWSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](C(=O)N1CCC(CCN(C)c2nccnc2-c2nn[n-]n2)CC1)C1CC1 ZINC001573618897 947657990 /nfs/dbraw/zinc/65/79/90/947657990.db2.gz SSLQDPLBHPIUCH-CYBMUJFWSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](C(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1)c1cccnc1 ZINC001573622906 947683347 /nfs/dbraw/zinc/68/33/47/947683347.db2.gz CLGWAFRPSJVUMN-GFCCVEGCSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@@H](C(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1)c1cccnc1 ZINC001573622906 947683359 /nfs/dbraw/zinc/68/33/59/947683359.db2.gz CLGWAFRPSJVUMN-GFCCVEGCSA-N -1 1 379.428 1.258 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(c4nc(C)cc(-c5nnn[n-]5)n4)C[C@H]32)cc1 ZINC001573359464 947688006 /nfs/dbraw/zinc/68/80/06/947688006.db2.gz VEJMAUQOHJQOJV-QLPKVWCKSA-N -1 1 388.435 1.473 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(c4nc(C)cc(-c5nn[n-]n5)n4)C[C@H]32)cc1 ZINC001573359464 947688011 /nfs/dbraw/zinc/68/80/11/947688011.db2.gz VEJMAUQOHJQOJV-QLPKVWCKSA-N -1 1 388.435 1.473 20 0 GDADMM C[C@H](C(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)c1cccs1 ZINC001573626273 947707071 /nfs/dbraw/zinc/70/70/71/947707071.db2.gz SJYWXLIQQZQICN-NSHDSACASA-N -1 1 384.469 1.347 20 0 GDADMM C[C@H](C(=O)N1CC[C@@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1)C(C)(F)F ZINC001573627613 947729630 /nfs/dbraw/zinc/72/96/30/947729630.db2.gz AZNKVMFEXBPTJV-PIGZYNQJSA-N -1 1 392.414 1.377 20 0 GDADMM C[C@H](C(=O)N1CC[C@@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1)C(C)(F)F ZINC001573627613 947729635 /nfs/dbraw/zinc/72/96/35/947729635.db2.gz AZNKVMFEXBPTJV-PIGZYNQJSA-N -1 1 392.414 1.377 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573627642 947729671 /nfs/dbraw/zinc/72/96/71/947729671.db2.gz DDVGRWIJGHXKDH-VHSXEESVSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001573627807 947733748 /nfs/dbraw/zinc/73/37/48/947733748.db2.gz CMOGZGAOUFCXRO-KGLIPLIRSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001573627807 947733754 /nfs/dbraw/zinc/73/37/54/947733754.db2.gz CMOGZGAOUFCXRO-KGLIPLIRSA-N -1 1 381.444 1.370 20 0 GDADMM CC(=O)CC1(C(=O)N2CCN(c3snc(C)c3-c3nn[n-]n3)CC2)CCC1 ZINC001573365767 947735785 /nfs/dbraw/zinc/73/57/85/947735785.db2.gz NJTBQSWBCJDHKR-UHFFFAOYSA-N -1 1 389.485 1.430 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]2[C@@H]1CCN2c1cnc(-c2nnn[n-]2)cn1)C1CCC1 ZINC001573627854 947737996 /nfs/dbraw/zinc/73/79/96/947737996.db2.gz FXUOJWLZBVBDFD-RCBQFDQVSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]2[C@@H]1CCN2c1cnc(-c2nn[n-]n2)cn1)C1CCC1 ZINC001573627854 947738005 /nfs/dbraw/zinc/73/80/05/947738005.db2.gz FXUOJWLZBVBDFD-RCBQFDQVSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1)C(C)(F)F ZINC001573628131 947744633 /nfs/dbraw/zinc/74/46/33/947744633.db2.gz FLMUGRMZFRVMES-MNOVXSKESA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1)C(C)(F)F ZINC001573628131 947744647 /nfs/dbraw/zinc/74/46/47/947744647.db2.gz FLMUGRMZFRVMES-MNOVXSKESA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573628207 947747560 /nfs/dbraw/zinc/74/75/60/947747560.db2.gz GJRJGNYZZFRRLF-MNOVXSKESA-N -1 1 380.403 1.020 20 0 GDADMM CC(=O)CCCC(=O)N(C)C1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573366984 947750732 /nfs/dbraw/zinc/75/07/32/947750732.db2.gz VOLHDQGDHSLCQP-UHFFFAOYSA-N -1 1 386.460 1.598 20 0 GDADMM CC(=O)CCCC(=O)N(C)C1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573366984 947750741 /nfs/dbraw/zinc/75/07/41/947750741.db2.gz VOLHDQGDHSLCQP-UHFFFAOYSA-N -1 1 386.460 1.598 20 0 GDADMM CC(=O)CCCC(=O)N1C[C@@H](C)[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573367760 947763343 /nfs/dbraw/zinc/76/33/43/947763343.db2.gz HURBPQDRHXJRRW-SKDRFNHKSA-N -1 1 377.474 1.650 20 0 GDADMM CC(=O)CCCC(=O)N(C)CCCNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573367937 947765511 /nfs/dbraw/zinc/76/55/11/947765511.db2.gz JCRNHXHYEFECAQ-UHFFFAOYSA-N -1 1 385.881 1.996 20 0 GDADMM CC(=O)CCCC(=O)N(C)CCCNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573367937 947765518 /nfs/dbraw/zinc/76/55/18/947765518.db2.gz JCRNHXHYEFECAQ-UHFFFAOYSA-N -1 1 385.881 1.996 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)C1CCCC1 ZINC001573628866 947766167 /nfs/dbraw/zinc/76/61/67/947766167.db2.gz KTFDEAMABTYMQH-UKRRQHHQSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573628866 947766172 /nfs/dbraw/zinc/76/61/72/947766172.db2.gz KTFDEAMABTYMQH-UKRRQHHQSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1nccnc1-c1nnn[n-]1)c1ccco1 ZINC001573628958 947769806 /nfs/dbraw/zinc/76/98/06/947769806.db2.gz PJRWNEJGHUZYRM-QWHCGFSZSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1nccnc1-c1nn[n-]n1)c1ccco1 ZINC001573628958 947769808 /nfs/dbraw/zinc/76/98/08/947769808.db2.gz PJRWNEJGHUZYRM-QWHCGFSZSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1)C1CCC1 ZINC001573629060 947772020 /nfs/dbraw/zinc/77/20/20/947772020.db2.gz LVSOPDUMLDSHPY-UONOGXRCSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1)C1CCC1 ZINC001573629060 947772027 /nfs/dbraw/zinc/77/20/27/947772027.db2.gz LVSOPDUMLDSHPY-UONOGXRCSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1)C(C)(F)F ZINC001573629185 947773470 /nfs/dbraw/zinc/77/34/70/947773470.db2.gz REKGYMOODROYFL-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1)C(C)(F)F ZINC001573629185 947773475 /nfs/dbraw/zinc/77/34/75/947773475.db2.gz REKGYMOODROYFL-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)[C@@H](C)C1 ZINC001573372985 947786887 /nfs/dbraw/zinc/78/68/87/947786887.db2.gz GTFNKTNSRCIYOB-GXTWGEPZSA-N -1 1 386.460 1.313 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)[C@@H](C)C1 ZINC001573372985 947786892 /nfs/dbraw/zinc/78/68/92/947786892.db2.gz GTFNKTNSRCIYOB-GXTWGEPZSA-N -1 1 386.460 1.313 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2 ZINC001573373069 947787774 /nfs/dbraw/zinc/78/77/74/947787774.db2.gz AITIDCOUYMEROP-UONOGXRCSA-N -1 1 384.444 1.255 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2 ZINC001573373069 947787783 /nfs/dbraw/zinc/78/77/83/947787783.db2.gz AITIDCOUYMEROP-UONOGXRCSA-N -1 1 384.444 1.255 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1)n1cccc1 ZINC001573630582 947792609 /nfs/dbraw/zinc/79/26/09/947792609.db2.gz ZARQQZIKAKRHTA-UONOGXRCSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1)n1cccc1 ZINC001573630582 947792618 /nfs/dbraw/zinc/79/26/18/947792618.db2.gz ZARQQZIKAKRHTA-UONOGXRCSA-N -1 1 381.444 1.147 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573373859 947798864 /nfs/dbraw/zinc/79/88/64/947798864.db2.gz GNIKZFPSRJQIAZ-UONOGXRCSA-N -1 1 386.460 1.503 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573373859 947798871 /nfs/dbraw/zinc/79/88/71/947798871.db2.gz GNIKZFPSRJQIAZ-UONOGXRCSA-N -1 1 386.460 1.503 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001573631494 947802155 /nfs/dbraw/zinc/80/21/55/947802155.db2.gz VNFOASIHVLNSPF-KGLIPLIRSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001573631494 947802159 /nfs/dbraw/zinc/80/21/59/947802159.db2.gz VNFOASIHVLNSPF-KGLIPLIRSA-N -1 1 381.444 1.147 20 0 GDADMM CC(=O)CCCC(=O)N1CCCCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573376387 947836306 /nfs/dbraw/zinc/83/63/06/947836306.db2.gz ZQFHPMCGBRKANP-CQSZACIVSA-N -1 1 386.460 1.599 20 0 GDADMM CC(=O)CCCC(=O)N1CCCCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573376387 947836311 /nfs/dbraw/zinc/83/63/11/947836311.db2.gz ZQFHPMCGBRKANP-CQSZACIVSA-N -1 1 386.460 1.599 20 0 GDADMM C[C@H](C(=O)N1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)CC1)n1cccc1 ZINC001573639707 947847131 /nfs/dbraw/zinc/84/71/31/947847131.db2.gz BNDLKLNZXMSIEE-SNVBAGLBSA-N -1 1 392.876 1.688 20 0 GDADMM C[C@H](C(=O)N1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)CC1)n1cccc1 ZINC001573639707 947847136 /nfs/dbraw/zinc/84/71/36/947847136.db2.gz BNDLKLNZXMSIEE-SNVBAGLBSA-N -1 1 392.876 1.688 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H](C)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573378291 947855333 /nfs/dbraw/zinc/85/53/33/947855333.db2.gz YHVQGVZDAHOAFW-KBPBESRZSA-N -1 1 386.460 1.137 20 0 GDADMM CC(=O)CCCC(=O)NCC1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573381000 947868795 /nfs/dbraw/zinc/86/87/95/947868795.db2.gz MSNWYQVILUAQDX-UHFFFAOYSA-N -1 1 386.460 1.139 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1F ZINC001573645951 947871250 /nfs/dbraw/zinc/87/12/50/947871250.db2.gz DYLQCKRRMDLYLA-NWDGAFQWSA-N -1 1 382.403 1.612 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1F ZINC001573645951 947871255 /nfs/dbraw/zinc/87/12/55/947871255.db2.gz DYLQCKRRMDLYLA-NWDGAFQWSA-N -1 1 382.403 1.612 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1F ZINC001573645955 947871797 /nfs/dbraw/zinc/87/17/97/947871797.db2.gz DYLQCKRRMDLYLA-VXGBXAGGSA-N -1 1 382.403 1.612 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1F ZINC001573645955 947871804 /nfs/dbraw/zinc/87/18/04/947871804.db2.gz DYLQCKRRMDLYLA-VXGBXAGGSA-N -1 1 382.403 1.612 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccsc1 ZINC001573647044 947882564 /nfs/dbraw/zinc/88/25/64/947882564.db2.gz AYJJHJZWWBTGKZ-UHIISALHSA-N -1 1 384.469 1.781 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccsc1 ZINC001573647044 947882571 /nfs/dbraw/zinc/88/25/71/947882571.db2.gz AYJJHJZWWBTGKZ-UHIISALHSA-N -1 1 384.469 1.781 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(CNc2ccnc(-c3nn[n-]n3)n2)C1)C(C)(C)C ZINC001573647048 947883004 /nfs/dbraw/zinc/88/30/04/947883004.db2.gz BBDBCTRYVPSZRV-YRVVQQKDSA-N -1 1 398.515 1.801 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cccs1 ZINC001573647232 947887034 /nfs/dbraw/zinc/88/70/34/947887034.db2.gz FOINIXAHIOUYEX-NQBHXWOUSA-N -1 1 384.469 1.781 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cccs1 ZINC001573647232 947887043 /nfs/dbraw/zinc/88/70/43/947887043.db2.gz FOINIXAHIOUYEX-NQBHXWOUSA-N -1 1 384.469 1.781 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](CNc2cncc(-c3nnn[n-]3)n2)[C@H](C)C1)C(C)(F)F ZINC001573647311 947889756 /nfs/dbraw/zinc/88/97/56/947889756.db2.gz HQIMWQLLAYTVAE-OUAUKWLOSA-N -1 1 380.403 1.454 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](CNc2cncc(-c3nn[n-]n3)n2)[C@H](C)C1)C(C)(F)F ZINC001573647311 947889760 /nfs/dbraw/zinc/88/97/60/947889760.db2.gz HQIMWQLLAYTVAE-OUAUKWLOSA-N -1 1 380.403 1.454 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1C[C@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573384504 947904517 /nfs/dbraw/zinc/90/45/17/947904517.db2.gz PUPQOWDGFORYOL-HAQNSBGRSA-N -1 1 377.474 1.698 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1)C1CCCC1 ZINC001573652433 947938122 /nfs/dbraw/zinc/93/81/22/947938122.db2.gz ZPYNADQPCPQNKV-YUELXQCFSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1)C1CCCC1 ZINC001573652433 947938126 /nfs/dbraw/zinc/93/81/26/947938126.db2.gz ZPYNADQPCPQNKV-YUELXQCFSA-N -1 1 382.472 1.378 20 0 GDADMM Cc1csc(N2CCN(C(=O)Cc3noc(C)c3-c3nnn[n-]3)C[C@H]2C)n1 ZINC000826321045 947939186 /nfs/dbraw/zinc/93/91/86/947939186.db2.gz OIGGSSCZKMLYNR-SNVBAGLBSA-N -1 1 388.457 1.208 20 0 GDADMM Cc1csc(N2CCN(C(=O)Cc3noc(C)c3-c3nn[n-]n3)C[C@H]2C)n1 ZINC000826321045 947939189 /nfs/dbraw/zinc/93/91/89/947939189.db2.gz OIGGSSCZKMLYNR-SNVBAGLBSA-N -1 1 388.457 1.208 20 0 GDADMM Cc1nc(-c2ccc(C)c(NC(=O)Cc3noc(C)c3-c3nnn[n-]3)c2)n[nH]1 ZINC000826322526 947942767 /nfs/dbraw/zinc/94/27/67/947942767.db2.gz QMEQCUNUEKTASP-UHFFFAOYSA-N -1 1 379.384 1.746 20 0 GDADMM Cc1nc(-c2ccc(C)c(NC(=O)Cc3noc(C)c3-c3nn[n-]n3)c2)n[nH]1 ZINC000826322526 947942770 /nfs/dbraw/zinc/94/27/70/947942770.db2.gz QMEQCUNUEKTASP-UHFFFAOYSA-N -1 1 379.384 1.746 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C(C)(C)C)C(C)(F)F ZINC001573652671 947945318 /nfs/dbraw/zinc/94/53/18/947945318.db2.gz GEQYVPZNXWFFEB-ONGXEEELSA-N -1 1 382.419 1.891 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C(C)(C)C)C(C)(F)F ZINC001573652671 947945325 /nfs/dbraw/zinc/94/53/25/947945325.db2.gz GEQYVPZNXWFFEB-ONGXEEELSA-N -1 1 382.419 1.891 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@]1(C)CCO[C@H]1C ZINC000826328406 947957238 /nfs/dbraw/zinc/95/72/38/947957238.db2.gz QFONDTIUXKXDNX-KPZWWZAWSA-N -1 1 384.444 1.143 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@]1(C)CCO[C@H]1C ZINC000826328406 947957245 /nfs/dbraw/zinc/95/72/45/947957245.db2.gz QFONDTIUXKXDNX-KPZWWZAWSA-N -1 1 384.444 1.143 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C(C)(C)C)n1cccc1 ZINC001573655235 947976783 /nfs/dbraw/zinc/97/67/83/947976783.db2.gz WPVYUAMNSPONSN-CHWSQXEVSA-N -1 1 383.460 1.662 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C(C)(C)C)n1cccc1 ZINC001573655235 947976792 /nfs/dbraw/zinc/97/67/92/947976792.db2.gz WPVYUAMNSPONSN-CHWSQXEVSA-N -1 1 383.460 1.662 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCC(C)(C)S(C)(=O)=O ZINC000826341188 947979682 /nfs/dbraw/zinc/97/96/82/947979682.db2.gz ZJYQSOXSLARPRD-UHFFFAOYSA-N -1 1 393.425 1.539 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCC(C)(C)S(C)(=O)=O ZINC000826341188 947979685 /nfs/dbraw/zinc/97/96/85/947979685.db2.gz ZJYQSOXSLARPRD-UHFFFAOYSA-N -1 1 393.425 1.539 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C(C)(C)C)C(F)(F)F ZINC001573655730 947980406 /nfs/dbraw/zinc/98/04/06/947980406.db2.gz YOVJBJQNALASGD-IUCAKERBSA-N -1 1 386.382 1.220 20 0 GDADMM C[C@H](C(=O)NC1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)n1cccc1 ZINC001573656365 947988309 /nfs/dbraw/zinc/98/83/09/947988309.db2.gz FJFFKIJLWBPYLY-CYBMUJFWSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](C(=O)N[C@@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccsc1 ZINC001573657674 948003626 /nfs/dbraw/zinc/00/36/26/948003626.db2.gz OLSYGIBASRQRTD-GTNSWQLSSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)N[C@@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccsc1 ZINC001573657674 948003631 /nfs/dbraw/zinc/00/36/31/948003631.db2.gz OLSYGIBASRQRTD-GTNSWQLSSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NC1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)c1ccco1 ZINC001573659470 948016592 /nfs/dbraw/zinc/01/65/92/948016592.db2.gz WFTUBRXUVHMJHV-LBPRGKRZSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](C(=O)NC1(CNc2ccc(-c3nnn[n-]3)nn2)CCCC1)[C@@H]1CCCO1 ZINC001573660074 948017667 /nfs/dbraw/zinc/01/76/67/948017667.db2.gz XWYSZUXNNSXVIU-JSGCOSHPSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](C(=O)NC1(CNc2ccc(-c3nn[n-]n3)nn2)CCCC1)[C@@H]1CCCO1 ZINC001573660074 948017675 /nfs/dbraw/zinc/01/76/75/948017675.db2.gz XWYSZUXNNSXVIU-JSGCOSHPSA-N -1 1 386.460 1.313 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](C)c2ccc(N3CCOC3=O)cc2)c1-c1nnn[n-]1 ZINC000826345263 948020425 /nfs/dbraw/zinc/02/04/25/948020425.db2.gz HSMSPJAWWNQQFW-JTQLQIEISA-N -1 1 397.395 1.540 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](C)c2ccc(N3CCOC3=O)cc2)c1-c1nn[n-]n1 ZINC000826345263 948020435 /nfs/dbraw/zinc/02/04/35/948020435.db2.gz HSMSPJAWWNQQFW-JTQLQIEISA-N -1 1 397.395 1.540 20 0 GDADMM Cc1onc(CC(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)c1-c1nnn[n-]1 ZINC000826345241 948020921 /nfs/dbraw/zinc/02/09/21/948020921.db2.gz HCIYTWMTPPSIHU-UHFFFAOYSA-N -1 1 381.371 1.911 20 0 GDADMM Cc1onc(CC(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)c1-c1nn[n-]n1 ZINC000826345241 948020930 /nfs/dbraw/zinc/02/09/30/948020930.db2.gz HCIYTWMTPPSIHU-UHFFFAOYSA-N -1 1 381.371 1.911 20 0 GDADMM Cc1onc(CC(=O)N[C@H](C)c2cccc(-n3cccn3)c2)c1-c1nnn[n-]1 ZINC000826345334 948024725 /nfs/dbraw/zinc/02/47/25/948024725.db2.gz JICCXZONGIQAPS-LLVKDONJSA-N -1 1 378.396 1.769 20 0 GDADMM Cc1onc(CC(=O)N[C@H](C)c2cccc(-n3cccn3)c2)c1-c1nn[n-]n1 ZINC000826345334 948024734 /nfs/dbraw/zinc/02/47/34/948024734.db2.gz JICCXZONGIQAPS-LLVKDONJSA-N -1 1 378.396 1.769 20 0 GDADMM C[C@@H](C(=O)NC1CC(CNc2cncc(-c3nnn[n-]3)n2)C1)c1ccsc1 ZINC001573662763 948027079 /nfs/dbraw/zinc/02/70/79/948027079.db2.gz FOXMKQSEQULAMY-XSRFYTQQSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)NC1CC(CNc2cncc(-c3nn[n-]n3)n2)C1)c1ccsc1 ZINC001573662763 948027088 /nfs/dbraw/zinc/02/70/88/948027088.db2.gz FOXMKQSEQULAMY-XSRFYTQQSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NC1(CNc2nccnc2-c2nnn[n-]2)CCCC1)C(C)(F)F ZINC001573663221 948035207 /nfs/dbraw/zinc/03/52/07/948035207.db2.gz KLYUFVWOQPJJMV-SNVBAGLBSA-N -1 1 380.403 1.789 20 0 GDADMM C[C@H](C(=O)NC1(CNc2nccnc2-c2nn[n-]n2)CCCC1)C(C)(F)F ZINC001573663221 948035218 /nfs/dbraw/zinc/03/52/18/948035218.db2.gz KLYUFVWOQPJJMV-SNVBAGLBSA-N -1 1 380.403 1.789 20 0 GDADMM Cc1onc(CC(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)c1-c1nnn[n-]1 ZINC000826346195 948036428 /nfs/dbraw/zinc/03/64/28/948036428.db2.gz GHLCELPFABDQPM-NSHDSACASA-N -1 1 389.366 1.379 20 0 GDADMM Cc1onc(CC(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)c1-c1nn[n-]n1 ZINC000826346195 948036438 /nfs/dbraw/zinc/03/64/38/948036438.db2.gz GHLCELPFABDQPM-NSHDSACASA-N -1 1 389.366 1.379 20 0 GDADMM Cc1onc(CC(=O)NC[C@@](C)(O)c2ccc(F)cc2F)c1-c1nnn[n-]1 ZINC000826346221 948037369 /nfs/dbraw/zinc/03/73/69/948037369.db2.gz GUNMMULGELOKFE-MRXNPFEDSA-N -1 1 378.339 1.008 20 0 GDADMM Cc1onc(CC(=O)NC[C@@](C)(O)c2ccc(F)cc2F)c1-c1nn[n-]n1 ZINC000826346221 948037376 /nfs/dbraw/zinc/03/73/76/948037376.db2.gz GUNMMULGELOKFE-MRXNPFEDSA-N -1 1 378.339 1.008 20 0 GDADMM Cc1onc(CC(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)c1-c1nnn[n-]1 ZINC000826346457 948041161 /nfs/dbraw/zinc/04/11/61/948041161.db2.gz MXXCHCQQJRRQCS-GFCCVEGCSA-N -1 1 387.831 1.754 20 0 GDADMM Cc1onc(CC(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)c1-c1nn[n-]n1 ZINC000826346457 948041170 /nfs/dbraw/zinc/04/11/70/948041170.db2.gz MXXCHCQQJRRQCS-GFCCVEGCSA-N -1 1 387.831 1.754 20 0 GDADMM Cc1onc(CC(=O)NC[C@@H](O)c2c(F)cccc2Cl)c1-c1nnn[n-]1 ZINC000826347467 948055892 /nfs/dbraw/zinc/05/58/92/948055892.db2.gz SFJCWDILCQLEKN-LLVKDONJSA-N -1 1 380.767 1.348 20 0 GDADMM Cc1onc(CC(=O)NC[C@@H](O)c2c(F)cccc2Cl)c1-c1nn[n-]n1 ZINC000826347467 948055901 /nfs/dbraw/zinc/05/59/01/948055901.db2.gz SFJCWDILCQLEKN-LLVKDONJSA-N -1 1 380.767 1.348 20 0 GDADMM C[C@@H](C(=O)NC1CC(CNc2cncc(-c3nnn[n-]3)n2)C1)c1cccnc1 ZINC001573664594 948057926 /nfs/dbraw/zinc/05/79/26/948057926.db2.gz VNHWOFINTXOCJU-LKSINWNRSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@@H](C(=O)NC1CC(CNc2cncc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573664594 948057937 /nfs/dbraw/zinc/05/79/37/948057937.db2.gz VNHWOFINTXOCJU-LKSINWNRSA-N -1 1 379.428 1.162 20 0 GDADMM Cc1onc(CC(=O)NCc2cc(N(C)C)nc3ccccc23)c1-c1nnn[n-]1 ZINC000826348179 948068348 /nfs/dbraw/zinc/06/83/48/948068348.db2.gz YTIXWNCRUXYZCZ-UHFFFAOYSA-N -1 1 392.423 1.636 20 0 GDADMM Cc1onc(CC(=O)NCc2cc(N(C)C)nc3ccccc23)c1-c1nn[n-]n1 ZINC000826348179 948068357 /nfs/dbraw/zinc/06/83/57/948068357.db2.gz YTIXWNCRUXYZCZ-UHFFFAOYSA-N -1 1 392.423 1.636 20 0 GDADMM C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1)C(C)(F)F ZINC001573665733 948077600 /nfs/dbraw/zinc/07/76/00/948077600.db2.gz MPEUUJPHWHVDSM-WAAKLRNESA-N -1 1 392.414 1.564 20 0 GDADMM C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001573665733 948077608 /nfs/dbraw/zinc/07/76/08/948077608.db2.gz MPEUUJPHWHVDSM-WAAKLRNESA-N -1 1 392.414 1.564 20 0 GDADMM Cc1onc(CC(=O)Nc2ccccc2C(=O)NCC(C)C)c1-c1nnn[n-]1 ZINC000826348918 948085402 /nfs/dbraw/zinc/08/54/02/948085402.db2.gz LVOGSIAJTZHZIK-UHFFFAOYSA-N -1 1 383.412 1.730 20 0 GDADMM Cc1onc(CC(=O)Nc2ccccc2C(=O)NCC(C)C)c1-c1nn[n-]n1 ZINC000826348918 948085412 /nfs/dbraw/zinc/08/54/12/948085412.db2.gz LVOGSIAJTZHZIK-UHFFFAOYSA-N -1 1 383.412 1.730 20 0 GDADMM Cc1onc(CC(=O)Nc2cccc(C(=O)N3CCCCC3)c2)c1-c1nnn[n-]1 ZINC000826349058 948087510 /nfs/dbraw/zinc/08/75/10/948087510.db2.gz RMPDKQLOOFYOFQ-UHFFFAOYSA-N -1 1 395.423 1.970 20 0 GDADMM Cc1onc(CC(=O)Nc2cccc(C(=O)N3CCCCC3)c2)c1-c1nn[n-]n1 ZINC000826349058 948087518 /nfs/dbraw/zinc/08/75/18/948087518.db2.gz RMPDKQLOOFYOFQ-UHFFFAOYSA-N -1 1 395.423 1.970 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cccs1 ZINC001573666731 948089722 /nfs/dbraw/zinc/08/97/22/948089722.db2.gz VSFFINSXQQSDSX-VXGBXAGGSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cccs1 ZINC001573666731 948089734 /nfs/dbraw/zinc/08/97/34/948089734.db2.gz VSFFINSXQQSDSX-VXGBXAGGSA-N -1 1 384.469 1.607 20 0 GDADMM CC(C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C)=C1CCC1 ZINC001573671400 948108254 /nfs/dbraw/zinc/10/82/54/948108254.db2.gz GAXWOUHYJJIKJV-AWEZNQCLSA-N -1 1 382.472 1.878 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C)C1CCC1 ZINC001573676762 948128322 /nfs/dbraw/zinc/12/83/22/948128322.db2.gz VJKWAQAHGBOLBE-SWLSCSKDSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C)C1CCC1 ZINC001573676762 948128326 /nfs/dbraw/zinc/12/83/26/948128326.db2.gz VJKWAQAHGBOLBE-SWLSCSKDSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](CNC(=O)[C@@H](C)c1ccccc1F)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001573677820 948141519 /nfs/dbraw/zinc/14/15/19/948141519.db2.gz FLIUEASLFBPGBG-RYUDHWBXSA-N -1 1 384.419 1.540 20 0 GDADMM C[C@@H](CNC(=O)[C@@H](C)c1ccccc1F)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001573677820 948141528 /nfs/dbraw/zinc/14/15/28/948141528.db2.gz FLIUEASLFBPGBG-RYUDHWBXSA-N -1 1 384.419 1.540 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1)n1cccc1 ZINC001573677908 948143148 /nfs/dbraw/zinc/14/31/48/948143148.db2.gz YTZKRRGSWMLXIL-NXEZZACHSA-N -1 1 392.876 1.734 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1)n1cccc1 ZINC001573677908 948143155 /nfs/dbraw/zinc/14/31/55/948143155.db2.gz YTZKRRGSWMLXIL-NXEZZACHSA-N -1 1 392.876 1.734 20 0 GDADMM C[C@H](C(=O)N[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C)C1CCCC1 ZINC001573678368 948149113 /nfs/dbraw/zinc/14/91/13/948149113.db2.gz HFMQIEOTBVQTAJ-WFASDCNBSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)N[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C)C1CCCC1 ZINC001573678368 948149119 /nfs/dbraw/zinc/14/91/19/948149119.db2.gz HFMQIEOTBVQTAJ-WFASDCNBSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)NC[C@H](CO)Nc1nc(Cl)c(-c2nnn[n-]2)s1)C(C)(C)C ZINC001573680472 948179933 /nfs/dbraw/zinc/17/99/33/948179933.db2.gz NZGWUHFEYQQZTL-HTQZYQBOSA-N -1 1 387.897 1.548 20 0 GDADMM C[C@H](C(=O)NC[C@H](CO)Nc1nc(Cl)c(-c2nn[n-]n2)s1)C(C)(C)C ZINC001573680472 948179938 /nfs/dbraw/zinc/17/99/38/948179938.db2.gz NZGWUHFEYQQZTL-HTQZYQBOSA-N -1 1 387.897 1.548 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCCC1)C(F)(F)F ZINC001573692338 948260224 /nfs/dbraw/zinc/26/02/24/948260224.db2.gz OKEYSRFQKHAIPR-SECBINFHSA-N -1 1 384.366 1.696 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCCC1)C(F)(F)F ZINC001573692338 948260238 /nfs/dbraw/zinc/26/02/38/948260238.db2.gz OKEYSRFQKHAIPR-SECBINFHSA-N -1 1 384.366 1.696 20 0 GDADMM C[C@@H](C(=O)NC[C@@]1(C)CCCN(c2nccnc2-c2nnn[n-]2)C1)C1CCC1 ZINC001573692517 948267893 /nfs/dbraw/zinc/26/78/93/948267893.db2.gz PPBFWYRLAPHKEF-BFUOFWGJSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NC[C@@]1(C)CCCN(c2nccnc2-c2nn[n-]n2)C1)C1CCC1 ZINC001573692517 948267899 /nfs/dbraw/zinc/26/78/99/948267899.db2.gz PPBFWYRLAPHKEF-BFUOFWGJSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCCC1)n1cccc1 ZINC001573693777 948286443 /nfs/dbraw/zinc/28/64/43/948286443.db2.gz ZHGASGUOLWBFGX-CYBMUJFWSA-N -1 1 381.444 1.560 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCCC1)n1cccc1 ZINC001573693777 948286448 /nfs/dbraw/zinc/28/64/48/948286448.db2.gz ZHGASGUOLWBFGX-CYBMUJFWSA-N -1 1 381.444 1.560 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1)C(F)(F)F ZINC001573701854 948340536 /nfs/dbraw/zinc/34/05/36/948340536.db2.gz BKZAVBREIOQWLY-ZJUUUORDSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1)C(F)(F)F ZINC001573701854 948340548 /nfs/dbraw/zinc/34/05/48/948340548.db2.gz BKZAVBREIOQWLY-ZJUUUORDSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)c1ccsc1 ZINC001573704131 948365604 /nfs/dbraw/zinc/36/56/04/948365604.db2.gz PKCKHAUKXOKWOP-DGCLKSJQSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)c1ccsc1 ZINC001573704131 948365609 /nfs/dbraw/zinc/36/56/09/948365609.db2.gz PKCKHAUKXOKWOP-DGCLKSJQSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCC(C)(C)CN1c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573704170 948366707 /nfs/dbraw/zinc/36/67/07/948366707.db2.gz PYYUUCMMFCFEBH-GXTWGEPZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCC(C)(C)CN1c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573704170 948366712 /nfs/dbraw/zinc/36/67/12/948366712.db2.gz PYYUUCMMFCFEBH-GXTWGEPZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCCO1)C(C)(C)C ZINC001573705225 948395855 /nfs/dbraw/zinc/39/58/55/948395855.db2.gz DNZVFWHKWXDGDU-CHWSQXEVSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCCO1)C(C)(C)C ZINC001573705225 948395862 /nfs/dbraw/zinc/39/58/62/948395862.db2.gz DNZVFWHKWXDGDU-CHWSQXEVSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001573705413 948400108 /nfs/dbraw/zinc/40/01/08/948400108.db2.gz WNIILRKHVWAQPX-UONOGXRCSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](C(=O)NCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)n1cccc1 ZINC001573707497 948433232 /nfs/dbraw/zinc/43/32/32/948433232.db2.gz PNDRFLCMQKAWCZ-ZDUSSCGKSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](C(=O)NCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)n1cccc1 ZINC001573707497 948433237 /nfs/dbraw/zinc/43/32/37/948433237.db2.gz PNDRFLCMQKAWCZ-ZDUSSCGKSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](C(=O)NCC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)C1CCCC1 ZINC001573715401 948489947 /nfs/dbraw/zinc/48/99/47/948489947.db2.gz VOWFQQVDLDBZIQ-ZIAGYGMSSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NCC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)C1CCCC1 ZINC001573715401 948489948 /nfs/dbraw/zinc/48/99/48/948489948.db2.gz VOWFQQVDLDBZIQ-ZIAGYGMSSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)[C@@H](CCNC(=O)[C@H](C)c1ccco1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573716892 948502712 /nfs/dbraw/zinc/50/27/12/948502712.db2.gz JLTHCQFNOWYNFG-CHWSQXEVSA-N -1 1 384.444 1.996 20 0 GDADMM CC(C)[C@@H](CCNC(=O)[C@H](C)c1ccco1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573716892 948502718 /nfs/dbraw/zinc/50/27/18/948502718.db2.gz JLTHCQFNOWYNFG-CHWSQXEVSA-N -1 1 384.444 1.996 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1)c1cccc(Cl)c1 ZINC001573721004 948535637 /nfs/dbraw/zinc/53/56/37/948535637.db2.gz UQBWFBRBCWYHDR-NSHDSACASA-N -1 1 386.847 1.666 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1)c1cccc(Cl)c1 ZINC001573721004 948535643 /nfs/dbraw/zinc/53/56/43/948535643.db2.gz UQBWFBRBCWYHDR-NSHDSACASA-N -1 1 386.847 1.666 20 0 GDADMM C[C@@H](C(=O)NCc1ccc(CNc2cncc(-c3nnn[n-]3)n2)cc1)C1CC1 ZINC001573727583 948556298 /nfs/dbraw/zinc/55/62/98/948556298.db2.gz ANDKFNWDHGLKFD-GFCCVEGCSA-N -1 1 378.440 1.931 20 0 GDADMM C[C@@H](C(=O)NCc1ccc(CNc2cncc(-c3nn[n-]n3)n2)cc1)C1CC1 ZINC001573727583 948556301 /nfs/dbraw/zinc/55/63/01/948556301.db2.gz ANDKFNWDHGLKFD-GFCCVEGCSA-N -1 1 378.440 1.931 20 0 GDADMM CC(C(=O)NCc1ccc(CNc2ccnc(-c3nn[n-]n3)n2)cc1)=C1CCC1 ZINC001573730076 948575229 /nfs/dbraw/zinc/57/52/29/948575229.db2.gz LVGAWIKWRRKOCY-UHFFFAOYSA-N -1 1 390.451 1.807 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)[C@H](C)n1cccc1 ZINC001573732581 948604901 /nfs/dbraw/zinc/60/49/01/948604901.db2.gz RTLKBECIUAJTFN-IUCAKERBSA-N -1 1 380.865 1.956 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)[C@H](C)n1cccc1 ZINC001573732581 948604906 /nfs/dbraw/zinc/60/49/06/948604906.db2.gz RTLKBECIUAJTFN-IUCAKERBSA-N -1 1 380.865 1.956 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nnn[n-]1)c1ccco1 ZINC001573736254 948614461 /nfs/dbraw/zinc/61/44/61/948614461.db2.gz KYALFHWDBCCQRZ-YNEHKIRRSA-N -1 1 382.428 1.893 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nn[n-]n1)c1ccco1 ZINC001573736254 948614464 /nfs/dbraw/zinc/61/44/64/948614464.db2.gz KYALFHWDBCCQRZ-YNEHKIRRSA-N -1 1 382.428 1.893 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)[C@@H](C)n1cccn1 ZINC001573741871 948657238 /nfs/dbraw/zinc/65/72/38/948657238.db2.gz GXLSGJFRZFEWSU-HTQZYQBOSA-N -1 1 381.853 1.351 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@@H](C)n1cccn1 ZINC001573741871 948657243 /nfs/dbraw/zinc/65/72/43/948657243.db2.gz GXLSGJFRZFEWSU-HTQZYQBOSA-N -1 1 381.853 1.351 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1F ZINC001573746096 948678884 /nfs/dbraw/zinc/67/88/84/948678884.db2.gz ITEFDCNHARWJPL-SDDRHHMPSA-N -1 1 382.403 1.659 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1F ZINC001573746096 948678888 /nfs/dbraw/zinc/67/88/88/948678888.db2.gz ITEFDCNHARWJPL-SDDRHHMPSA-N -1 1 382.403 1.659 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cccc(F)c1 ZINC001573747838 948692903 /nfs/dbraw/zinc/69/29/03/948692903.db2.gz PJALOUOZSCXMTF-LEWSCRJBSA-N -1 1 382.403 1.659 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cccc(F)c1 ZINC001573747838 948692908 /nfs/dbraw/zinc/69/29/08/948692908.db2.gz PJALOUOZSCXMTF-LEWSCRJBSA-N -1 1 382.403 1.659 20 0 GDADMM C[C@H]([C@H](C)C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)C(C)(C)C ZINC001573752503 948713825 /nfs/dbraw/zinc/71/38/25/948713825.db2.gz NOYFNQFHTNSDNE-GGAZOKNXSA-N -1 1 384.488 1.526 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1)c1ccco1 ZINC001573753429 948718570 /nfs/dbraw/zinc/71/85/70/948718570.db2.gz UXLKVOOUFSUDSN-RNJOBUHISA-N -1 1 380.412 1.279 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1)c1ccco1 ZINC001573753429 948718578 /nfs/dbraw/zinc/71/85/78/948718578.db2.gz UXLKVOOUFSUDSN-RNJOBUHISA-N -1 1 380.412 1.279 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccnc2ccccc21 ZINC001574678292 948745713 /nfs/dbraw/zinc/74/57/13/948745713.db2.gz CGBXYHNPNFOWIU-GFCCVEGCSA-N -1 1 389.423 1.825 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccnc2ccccc21 ZINC001574678292 948745718 /nfs/dbraw/zinc/74/57/18/948745718.db2.gz CGBXYHNPNFOWIU-GFCCVEGCSA-N -1 1 389.423 1.825 20 0 GDADMM CC(C)[C@H](F)C(=O)N1CCC[C@@H](CN(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574075635 948746474 /nfs/dbraw/zinc/74/64/74/948746474.db2.gz XPTFLTFCSQIPNF-JSGCOSHPSA-N -1 1 376.440 1.326 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CCCCC1(F)F ZINC001574678365 948748978 /nfs/dbraw/zinc/74/89/78/948748978.db2.gz DRFFSFWHRLEBGR-MNOVXSKESA-N -1 1 380.403 1.789 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCCCC1(F)F ZINC001574678365 948748989 /nfs/dbraw/zinc/74/89/89/948748989.db2.gz DRFFSFWHRLEBGR-MNOVXSKESA-N -1 1 380.403 1.789 20 0 GDADMM C[C@@H](C(=O)Nc1ccc(NC(=O)c2coc(-c3nnn[n-]3)c2)cc1)n1cncn1 ZINC001573755089 948752597 /nfs/dbraw/zinc/75/25/97/948752597.db2.gz AHTJLKKMKFCDBZ-JTQLQIEISA-N -1 1 393.367 1.503 20 0 GDADMM C[C@@H](C(=O)Nc1ccc(NC(=O)c2coc(-c3nn[n-]n3)c2)cc1)n1cncn1 ZINC001573755089 948752606 /nfs/dbraw/zinc/75/26/06/948752606.db2.gz AHTJLKKMKFCDBZ-JTQLQIEISA-N -1 1 393.367 1.503 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccc2c(c1)CCC2 ZINC001574679252 948772597 /nfs/dbraw/zinc/77/25/97/948772597.db2.gz REFYZTDZCOACPS-GFCCVEGCSA-N -1 1 378.440 1.766 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccc2c(c1)CCC2 ZINC001574679252 948772610 /nfs/dbraw/zinc/77/26/10/948772610.db2.gz REFYZTDZCOACPS-GFCCVEGCSA-N -1 1 378.440 1.766 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575223939 948774486 /nfs/dbraw/zinc/77/44/86/948774486.db2.gz PWXGZCOKHUFUHN-QWRGUYRKSA-N -1 1 392.414 1.789 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575223939 948774496 /nfs/dbraw/zinc/77/44/96/948774496.db2.gz PWXGZCOKHUFUHN-QWRGUYRKSA-N -1 1 392.414 1.789 20 0 GDADMM CC(C)c1cccc(C(=O)N(C)[C@H](C)CNc2ccnc(-c3nn[n-]n3)n2)n1 ZINC001574418508 948776502 /nfs/dbraw/zinc/77/65/02/948776502.db2.gz XMXIPGMJXNGIFM-GFCCVEGCSA-N -1 1 381.444 1.170 20 0 GDADMM CC(C)c1cccc(C(=O)N(C)CCN(C)c2cnc(-c3nnn[n-]3)cn2)c1 ZINC001574418572 948780331 /nfs/dbraw/zinc/78/03/31/948780331.db2.gz YLFHYXMASRSDPA-UHFFFAOYSA-N -1 1 380.456 1.989 20 0 GDADMM CC(C)c1cccc(C(=O)N(C)CCN(C)c2cnc(-c3nn[n-]n3)cn2)c1 ZINC001574418572 948780347 /nfs/dbraw/zinc/78/03/47/948780347.db2.gz YLFHYXMASRSDPA-UHFFFAOYSA-N -1 1 380.456 1.989 20 0 GDADMM CC(F)(F)C1(C(=O)NC2CCN(c3nccnc3-c3nnn[n-]3)CC2)CC1 ZINC001575224342 948784232 /nfs/dbraw/zinc/78/42/32/948784232.db2.gz UOQCGPYVGVABDU-UHFFFAOYSA-N -1 1 378.387 1.177 20 0 GDADMM CC(F)(F)C1(C(=O)NC2CCN(c3nccnc3-c3nn[n-]n3)CC2)CC1 ZINC001575224342 948784247 /nfs/dbraw/zinc/78/42/47/948784247.db2.gz UOQCGPYVGVABDU-UHFFFAOYSA-N -1 1 378.387 1.177 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cc1ccc2c(c1)CCC2 ZINC001574680091 948798708 /nfs/dbraw/zinc/79/87/08/948798708.db2.gz DFOUTOHTKSVKAV-ZDUSSCGKSA-N -1 1 392.467 1.695 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cc1ccc2c(c1)CCC2 ZINC001574680091 948798719 /nfs/dbraw/zinc/79/87/19/948798719.db2.gz DFOUTOHTKSVKAV-ZDUSSCGKSA-N -1 1 392.467 1.695 20 0 GDADMM CC(C)c1ccoc1C(=O)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574421315 948814080 /nfs/dbraw/zinc/81/40/80/948814080.db2.gz IWBFNGKFBVXUCF-UHFFFAOYSA-N -1 1 382.428 1.726 20 0 GDADMM CC(C)c1ccoc1C(=O)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574421315 948814096 /nfs/dbraw/zinc/81/40/96/948814096.db2.gz IWBFNGKFBVXUCF-UHFFFAOYSA-N -1 1 382.428 1.726 20 0 GDADMM CC(C)c1ccoc1C(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001574421345 948816309 /nfs/dbraw/zinc/81/63/09/948816309.db2.gz JDAYMOWSZDVJKC-ZDUSSCGKSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1ccoc1C(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001574421345 948816326 /nfs/dbraw/zinc/81/63/26/948816326.db2.gz JDAYMOWSZDVJKC-ZDUSSCGKSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1ccoc1C(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001574421563 948817043 /nfs/dbraw/zinc/81/70/43/948817043.db2.gz MIRANHBWVCVIIS-CQSZACIVSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1ccoc1C(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001574421563 948817057 /nfs/dbraw/zinc/81/70/57/948817057.db2.gz MIRANHBWVCVIIS-CQSZACIVSA-N -1 1 382.428 1.994 20 0 GDADMM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3nc(-c4nn[n-]n4)c(Cl)s3)C[C@H]21)C1CC1 ZINC001573756690 948818356 /nfs/dbraw/zinc/81/83/56/948818356.db2.gz UJRILFCDLMONBT-BEYHFKMWSA-N -1 1 379.877 1.574 20 0 GDADMM CC(C)c1ccoc1C(=O)N1C[C@@H](C)[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574421684 948819890 /nfs/dbraw/zinc/81/98/90/948819890.db2.gz MOUUNZQLYVQKHH-RISCZKNCSA-N -1 1 382.428 1.946 20 0 GDADMM CC(C)c1ccoc1C(=O)N1C[C@@H](C)[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574421684 948819900 /nfs/dbraw/zinc/81/99/00/948819900.db2.gz MOUUNZQLYVQKHH-RISCZKNCSA-N -1 1 382.428 1.946 20 0 GDADMM CC(F)(F)CC(=O)N1CCCC[C@@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001575226590 948821043 /nfs/dbraw/zinc/82/10/43/948821043.db2.gz NSYRLEUYSOAFBL-LLVKDONJSA-N -1 1 380.403 1.307 20 0 GDADMM CC(C)c1ccoc1C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001574421797 948822491 /nfs/dbraw/zinc/82/24/91/948822491.db2.gz PROCNPIDVVWBAK-AWEZNQCLSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1ccoc1C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001574421797 948822510 /nfs/dbraw/zinc/82/25/10/948822510.db2.gz PROCNPIDVVWBAK-AWEZNQCLSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)[C@@H](F)C(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574081188 948823378 /nfs/dbraw/zinc/82/33/78/948823378.db2.gz YFQDTWANNBOFTA-LALPHHSUSA-N -1 1 376.440 1.738 20 0 GDADMM CC(C)[C@@H](F)C(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574081188 948823401 /nfs/dbraw/zinc/82/34/01/948823401.db2.gz YFQDTWANNBOFTA-LALPHHSUSA-N -1 1 376.440 1.738 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1coc(C2CCC2)n1 ZINC001574682197 948826710 /nfs/dbraw/zinc/82/67/10/948826710.db2.gz PRBZKTWKVGKVOE-SNVBAGLBSA-N -1 1 383.416 1.533 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1coc(C2CCC2)n1 ZINC001574682197 948826729 /nfs/dbraw/zinc/82/67/29/948826729.db2.gz PRBZKTWKVGKVOE-SNVBAGLBSA-N -1 1 383.416 1.533 20 0 GDADMM CC(C)c1ccoc1C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574422003 948827476 /nfs/dbraw/zinc/82/74/76/948827476.db2.gz UNHUILZGGSSSOC-LBPRGKRZSA-N -1 1 382.428 1.512 20 0 GDADMM CC(F)(F)CC(=O)N1CCC2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001575227352 948829827 /nfs/dbraw/zinc/82/98/27/948829827.db2.gz UOIIKZWBGMPQHZ-UHFFFAOYSA-N -1 1 392.414 1.521 20 0 GDADMM CC(F)(F)CC(=O)N1CCC2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001575227352 948829846 /nfs/dbraw/zinc/82/98/46/948829846.db2.gz UOIIKZWBGMPQHZ-UHFFFAOYSA-N -1 1 392.414 1.521 20 0 GDADMM C[C@H](CNC(=O)CCCc1cccnc1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574918027 948838326 /nfs/dbraw/zinc/83/83/26/948838326.db2.gz GAIQJCQNCBIPMD-ZDUSSCGKSA-N -1 1 381.444 1.239 20 0 GDADMM C[C@H](CNC(=O)CCCc1cccnc1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574918027 948838341 /nfs/dbraw/zinc/83/83/41/948838341.db2.gz GAIQJCQNCBIPMD-ZDUSSCGKSA-N -1 1 381.444 1.239 20 0 GDADMM C[C@@H](CNC(=O)CCCc1ccsc1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574918525 948851355 /nfs/dbraw/zinc/85/13/55/948851355.db2.gz MMUGXWUBBWGIRN-GFCCVEGCSA-N -1 1 386.485 1.905 20 0 GDADMM C[C@@H](CNC(=O)CCCc1ccsc1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574918525 948851367 /nfs/dbraw/zinc/85/13/67/948851367.db2.gz MMUGXWUBBWGIRN-GFCCVEGCSA-N -1 1 386.485 1.905 20 0 GDADMM CC(F)(F)CC(=O)NC[C@]12CCC[C@H]1N(c1nccnc1-c1nnn[n-]1)CC2 ZINC001575229965 948863191 /nfs/dbraw/zinc/86/31/91/948863191.db2.gz XKDMUTRNIGLSRY-PIGZYNQJSA-N -1 1 392.414 1.567 20 0 GDADMM CC(F)(F)CC(=O)NC[C@]12CCC[C@H]1N(c1nccnc1-c1nn[n-]n1)CC2 ZINC001575229965 948863212 /nfs/dbraw/zinc/86/32/12/948863212.db2.gz XKDMUTRNIGLSRY-PIGZYNQJSA-N -1 1 392.414 1.567 20 0 GDADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)c1ccncn1 ZINC001574684441 948869761 /nfs/dbraw/zinc/86/97/61/948869761.db2.gz GOQJIBMDUQGIDJ-SSDOTTSWSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@H]1CCCOC1 ZINC001574684808 948887323 /nfs/dbraw/zinc/88/73/23/948887323.db2.gz MYTXRDLWLNRJEU-IUCAKERBSA-N -1 1 385.881 1.710 20 0 GDADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)Cc1cc[nH]n1 ZINC001574684898 948889823 /nfs/dbraw/zinc/88/98/23/948889823.db2.gz OVVKCRREXJAQNS-SSDOTTSWSA-N -1 1 381.853 1.249 20 0 GDADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)c1cncnc1 ZINC001574684850 948893454 /nfs/dbraw/zinc/89/34/54/948893454.db2.gz NPRGBAASZSETAH-SSDOTTSWSA-N -1 1 379.837 1.387 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001575234074 948895435 /nfs/dbraw/zinc/89/54/35/948895435.db2.gz NRJDVMYUYBZBGS-AXFHLTTASA-N -1 1 378.387 1.176 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001575234074 948895454 /nfs/dbraw/zinc/89/54/54/948895454.db2.gz NRJDVMYUYBZBGS-AXFHLTTASA-N -1 1 378.387 1.176 20 0 GDADMM CC(C)[C@]1(C)C[C@H]1C(=O)NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574087929 948902017 /nfs/dbraw/zinc/90/20/17/948902017.db2.gz BMCOOBRGORPQIH-LIRRHRJNSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)s1 ZINC001574427537 948906579 /nfs/dbraw/zinc/90/65/79/948906579.db2.gz GREYCOFIZPBKLT-SNVBAGLBSA-N -1 1 385.457 1.245 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)s1 ZINC001574427537 948906593 /nfs/dbraw/zinc/90/65/93/948906593.db2.gz GREYCOFIZPBKLT-SNVBAGLBSA-N -1 1 385.457 1.245 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575235184 948915971 /nfs/dbraw/zinc/91/59/71/948915971.db2.gz KLSUZJPUQMGMAE-NSHDSACASA-N -1 1 380.403 1.743 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575235184 948915981 /nfs/dbraw/zinc/91/59/81/948915981.db2.gz KLSUZJPUQMGMAE-NSHDSACASA-N -1 1 380.403 1.743 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575235230 948916098 /nfs/dbraw/zinc/91/60/98/948916098.db2.gz LWIPYFUHCONWRO-LLVKDONJSA-N -1 1 380.403 1.743 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575235230 948916108 /nfs/dbraw/zinc/91/61/08/948916108.db2.gz LWIPYFUHCONWRO-LLVKDONJSA-N -1 1 380.403 1.743 20 0 GDADMM CC(F)(F)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001575235781 948926550 /nfs/dbraw/zinc/92/65/50/948926550.db2.gz QHSILPZLZJKMLF-PHIMTYICSA-N -1 1 378.387 1.272 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@](C)(CNc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001575236049 948933350 /nfs/dbraw/zinc/93/33/50/948933350.db2.gz UAZHOUXFVVUOBP-HNNXBMFYSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@](C)(CNc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001575236049 948933357 /nfs/dbraw/zinc/93/33/57/948933357.db2.gz UAZHOUXFVVUOBP-HNNXBMFYSA-N -1 1 380.403 1.789 20 0 GDADMM CC(C)c1nnc(CCC(=O)Nc2ncc3c(c2-c2nn[n-]n2)COCC3)o1 ZINC001574432694 948940230 /nfs/dbraw/zinc/94/02/30/948940230.db2.gz AMAPWCJNRBXZEI-UHFFFAOYSA-N -1 1 384.400 1.412 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575237960 948951621 /nfs/dbraw/zinc/95/16/21/948951621.db2.gz JWVIHPLKJZLTHI-MNOVXSKESA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575237960 948951636 /nfs/dbraw/zinc/95/16/36/948951636.db2.gz JWVIHPLKJZLTHI-MNOVXSKESA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CCC(=O)NCCC1(CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575238937 948957272 /nfs/dbraw/zinc/95/72/72/948957272.db2.gz NWDQOOMJKBAETH-UHFFFAOYSA-N -1 1 380.403 1.791 20 0 GDADMM CC(F)(F)CCC(=O)NCCC1(CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575238937 948957277 /nfs/dbraw/zinc/95/72/77/948957277.db2.gz NWDQOOMJKBAETH-UHFFFAOYSA-N -1 1 380.403 1.791 20 0 GDADMM CC(C)(C(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)C(F)(F)F ZINC001573772574 948960693 /nfs/dbraw/zinc/96/06/93/948960693.db2.gz VGOADVQGUFPQQT-VIFPVBQESA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)(C(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)C(F)(F)F ZINC001573772574 948960700 /nfs/dbraw/zinc/96/07/00/948960700.db2.gz VGOADVQGUFPQQT-VIFPVBQESA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)c1ncncc1C(=O)N[C@H](C)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574433646 948964574 /nfs/dbraw/zinc/96/45/74/948964574.db2.gz ZTAQDWFTHUQBTO-GHMZBOCLSA-N -1 1 382.432 1.189 20 0 GDADMM CC(C)c1ncncc1C(=O)N[C@H](C)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574433646 948964586 /nfs/dbraw/zinc/96/45/86/948964586.db2.gz ZTAQDWFTHUQBTO-GHMZBOCLSA-N -1 1 382.432 1.189 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)C1CC2(C1)CCOCC2 ZINC001574689705 948990130 /nfs/dbraw/zinc/99/01/30/948990130.db2.gz KHFJVQAWFCOYQJ-GFCCVEGCSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)C1CC2(C1)CCOCC2 ZINC001574689705 948990142 /nfs/dbraw/zinc/99/01/42/948990142.db2.gz KHFJVQAWFCOYQJ-GFCCVEGCSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001575501302 949006675 /nfs/dbraw/zinc/00/66/75/949006675.db2.gz FUBRGPYDMMCKPL-MRVPVSSYSA-N -1 1 390.404 1.428 20 0 GDADMM C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001575501302 949006688 /nfs/dbraw/zinc/00/66/88/949006688.db2.gz FUBRGPYDMMCKPL-MRVPVSSYSA-N -1 1 390.404 1.428 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccnn1C1CCC1 ZINC001574693157 949049241 /nfs/dbraw/zinc/04/92/41/949049241.db2.gz BDQBZEJCARGBJI-LLVKDONJSA-N -1 1 382.432 1.199 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccnn1C1CCC1 ZINC001574693157 949049258 /nfs/dbraw/zinc/04/92/58/949049258.db2.gz BDQBZEJCARGBJI-LLVKDONJSA-N -1 1 382.432 1.199 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)[C@]12C[C@H]1COC2 ZINC001574693725 949059801 /nfs/dbraw/zinc/05/98/01/949059801.db2.gz IAZLJWYENHVTJV-FZVNPBSJSA-N -1 1 383.865 1.320 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@]12C[C@H]1COC2 ZINC001574693725 949059818 /nfs/dbraw/zinc/05/98/18/949059818.db2.gz IAZLJWYENHVTJV-FZVNPBSJSA-N -1 1 383.865 1.320 20 0 GDADMM C[C@H](NC(=O)C1(C(F)F)CC1)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575249031 949084644 /nfs/dbraw/zinc/08/46/44/949084644.db2.gz AOWOFMLVYREAGY-WDEREUQCSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@H](NC(=O)C1(C(F)F)CC1)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575249031 949084662 /nfs/dbraw/zinc/08/46/62/949084662.db2.gz AOWOFMLVYREAGY-WDEREUQCSA-N -1 1 392.414 1.423 20 0 GDADMM CC(C)(C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573781031 949097578 /nfs/dbraw/zinc/09/75/78/949097578.db2.gz AMFXIQMNEMWJEO-XBXGTLAGSA-N -1 1 384.488 1.602 20 0 GDADMM CC(C)c1nocc1C(=O)N1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)[C@@H](C)C1 ZINC001574443484 949109165 /nfs/dbraw/zinc/10/91/65/949109165.db2.gz ZBGIUVNYWWGOIF-GWCFXTLKSA-N -1 1 383.416 1.341 20 0 GDADMM CC(C)c1nocc1C(=O)N1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)[C@@H](C)C1 ZINC001574443484 949109180 /nfs/dbraw/zinc/10/91/80/949109180.db2.gz ZBGIUVNYWWGOIF-GWCFXTLKSA-N -1 1 383.416 1.341 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cc(Cl)cn1C ZINC001574695828 949115789 /nfs/dbraw/zinc/11/57/89/949115789.db2.gz KEZLCBXNDLZCQB-SECBINFHSA-N -1 1 375.824 1.269 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cc(Cl)cn1C ZINC001574695828 949115803 /nfs/dbraw/zinc/11/58/03/949115803.db2.gz KEZLCBXNDLZCQB-SECBINFHSA-N -1 1 375.824 1.269 20 0 GDADMM CC(C)c1ocnc1C(=O)N(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574445990 949116628 /nfs/dbraw/zinc/11/66/28/949116628.db2.gz DYXWPSPGLAAXHW-NSHDSACASA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1ocnc1C(=O)N(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574445990 949116634 /nfs/dbraw/zinc/11/66/34/949116634.db2.gz DYXWPSPGLAAXHW-NSHDSACASA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1occc1C(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574446077 949119260 /nfs/dbraw/zinc/11/92/60/949119260.db2.gz HRQCOLUWQUGKJV-LBPRGKRZSA-N -1 1 382.428 1.629 20 0 GDADMM CC(C)c1occc1C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574446077 949119270 /nfs/dbraw/zinc/11/92/70/949119270.db2.gz HRQCOLUWQUGKJV-LBPRGKRZSA-N -1 1 382.428 1.629 20 0 GDADMM CC(C)c1occc1C(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574446250 949124521 /nfs/dbraw/zinc/12/45/21/949124521.db2.gz LDASBUMIYQDOHE-UHFFFAOYSA-N -1 1 382.428 1.512 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)N[C@@H](C)CCNc1nccnc1-c1nnn[n-]1 ZINC001574696871 949146370 /nfs/dbraw/zinc/14/63/70/949146370.db2.gz WJDAEYYARAHWKT-KGLIPLIRSA-N -1 1 380.456 1.842 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)N[C@@H](C)CCNc1nccnc1-c1nn[n-]n1 ZINC001574696871 949146386 /nfs/dbraw/zinc/14/63/86/949146386.db2.gz WJDAEYYARAHWKT-KGLIPLIRSA-N -1 1 380.456 1.842 20 0 GDADMM C[C@@H](NC(=O)C1(c2cccnc2)CC1)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575251959 949153285 /nfs/dbraw/zinc/15/32/85/949153285.db2.gz CZYBCOYOKMBISS-VXGBXAGGSA-N -1 1 379.428 1.089 20 0 GDADMM C[C@@H](NC(=O)C1(c2cccnc2)CC1)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575251959 949153275 /nfs/dbraw/zinc/15/32/75/949153275.db2.gz CZYBCOYOKMBISS-VXGBXAGGSA-N -1 1 379.428 1.089 20 0 GDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](C)NC(=O)C1(c2cccnc2)CC1 ZINC001575251952 949153528 /nfs/dbraw/zinc/15/35/28/949153528.db2.gz CZYBCOYOKMBISS-NEPJUHHUSA-N -1 1 379.428 1.089 20 0 GDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](C)NC(=O)C1(c2cccnc2)CC1 ZINC001575251952 949153539 /nfs/dbraw/zinc/15/35/39/949153539.db2.gz CZYBCOYOKMBISS-NEPJUHHUSA-N -1 1 379.428 1.089 20 0 GDADMM CC(C)c1ocnc1C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574447338 949157461 /nfs/dbraw/zinc/15/74/61/949157461.db2.gz LXWCWVBXGWMVRZ-XYPYZODXSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1ocnc1C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574447338 949157470 /nfs/dbraw/zinc/15/74/70/949157470.db2.gz LXWCWVBXGWMVRZ-XYPYZODXSA-N -1 1 383.416 1.389 20 0 GDADMM C[C@@H](Oc1ccccc1)C(=O)N(C)C[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574697743 949159498 /nfs/dbraw/zinc/15/94/98/949159498.db2.gz BMOFYJVYCSASEO-QWHCGFSZSA-N -1 1 382.428 1.383 20 0 GDADMM C[C@@H](Oc1ccccc1)C(=O)N(C)C[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574697743 949159517 /nfs/dbraw/zinc/15/95/17/949159517.db2.gz BMOFYJVYCSASEO-QWHCGFSZSA-N -1 1 382.428 1.383 20 0 GDADMM C[C@H](NC(=O)C1(C(F)F)CCCC1)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575252503 949168313 /nfs/dbraw/zinc/16/83/13/949168313.db2.gz QJGMKQZTZJVRKX-UWVGGRQHSA-N -1 1 380.403 1.209 20 0 GDADMM CC(C)c1ocnc1C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001574447693 949169616 /nfs/dbraw/zinc/16/96/16/949169616.db2.gz XUOJVJFWHRDZST-LBPRGKRZSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1ocnc1C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001574447693 949169639 /nfs/dbraw/zinc/16/96/39/949169639.db2.gz XUOJVJFWHRDZST-LBPRGKRZSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1oncc1C(=O)N(C)C1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574448203 949184159 /nfs/dbraw/zinc/18/41/59/949184159.db2.gz GCTRAWUYPUXXQY-UHFFFAOYSA-N -1 1 383.416 1.483 20 0 GDADMM CC(C)c1oncc1C(=O)N(C)C1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574448203 949184173 /nfs/dbraw/zinc/18/41/73/949184173.db2.gz GCTRAWUYPUXXQY-UHFFFAOYSA-N -1 1 383.416 1.483 20 0 GDADMM CC(C)c1oncc1C(=O)N(C)C1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574449375 949196365 /nfs/dbraw/zinc/19/63/65/949196365.db2.gz QBMDQFPJOVYFMF-UHFFFAOYSA-N -1 1 383.416 1.483 20 0 GDADMM CC(C)c1oncc1C(=O)N(C)C1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574449375 949196382 /nfs/dbraw/zinc/19/63/82/949196382.db2.gz QBMDQFPJOVYFMF-UHFFFAOYSA-N -1 1 383.416 1.483 20 0 GDADMM CC(C)c1oncc1C(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574449374 949197956 /nfs/dbraw/zinc/19/79/56/949197956.db2.gz QBKTYCOLIPMLBS-ZWNOBZJWSA-N -1 1 383.416 1.341 20 0 GDADMM CC(C)c1oncc1C(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574449374 949197967 /nfs/dbraw/zinc/19/79/67/949197967.db2.gz QBKTYCOLIPMLBS-ZWNOBZJWSA-N -1 1 383.416 1.341 20 0 GDADMM C[C@H](NC(=O)C1(CCF)CC1)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575254601 949205647 /nfs/dbraw/zinc/20/56/47/949205647.db2.gz MWNIROKKVXHIKS-STQMWFEESA-N -1 1 388.451 1.518 20 0 GDADMM C[C@H](NC(=O)C1(CCF)CC1)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575254601 949205668 /nfs/dbraw/zinc/20/56/68/949205668.db2.gz MWNIROKKVXHIKS-STQMWFEESA-N -1 1 388.451 1.518 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(Cl)cc1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574935621 949206683 /nfs/dbraw/zinc/20/66/83/949206683.db2.gz DNOSOJHEZNCMTF-LLVKDONJSA-N -1 1 386.847 1.494 20 0 GDADMM CC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)C2CC3(CCC3)C2)CC1 ZINC001575853290 949208972 /nfs/dbraw/zinc/20/89/72/949208972.db2.gz NKPTXMPRGYZLQF-UHFFFAOYSA-N -1 1 382.472 1.452 20 0 GDADMM C[C@@H]1CCC[C@@]1(C)C(=O)NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576151555 949226947 /nfs/dbraw/zinc/22/69/47/949226947.db2.gz GOKYCQJVEQZDBT-BFUOFWGJSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574451297 949228115 /nfs/dbraw/zinc/22/81/15/949228115.db2.gz LJMJTDBMJIXDIC-LLVKDONJSA-N -1 1 383.416 1.024 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574451297 949228141 /nfs/dbraw/zinc/22/81/41/949228141.db2.gz LJMJTDBMJIXDIC-LLVKDONJSA-N -1 1 383.416 1.024 20 0 GDADMM CC(C)CC(=O)N1CCC(N(CC2CC2)c2nccnc2-c2nnn[n-]2)CC1 ZINC001574103414 949243552 /nfs/dbraw/zinc/24/35/52/949243552.db2.gz RZAPXSKLHJMPEE-UHFFFAOYSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CC(=O)N1CCC(N(CC2CC2)c2nccnc2-c2nn[n-]n2)CC1 ZINC001574103414 949243574 /nfs/dbraw/zinc/24/35/74/949243574.db2.gz RZAPXSKLHJMPEE-UHFFFAOYSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CC(=O)N1CC2(C[C@@H]1C)CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001574103517 949253383 /nfs/dbraw/zinc/25/33/83/949253383.db2.gz VQOAVWXLKFSBDD-AWEZNQCLSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CC(=O)N1CC2(C[C@@H]1C)CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001574103517 949253401 /nfs/dbraw/zinc/25/34/01/949253401.db2.gz VQOAVWXLKFSBDD-AWEZNQCLSA-N -1 1 384.488 1.910 20 0 GDADMM CC[C@@]1(C(=O)[O-])CCCN(CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)C1 ZINC001589605603 949255700 /nfs/dbraw/zinc/25/57/00/949255700.db2.gz SDWCZGZHCYGQOK-HRJVKACCSA-N -1 1 394.472 1.095 20 0 GDADMM CC(C)CC(=O)N1CCCC[C@H]1[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574105433 949261730 /nfs/dbraw/zinc/26/17/30/949261730.db2.gz BAQJWTCPCRKRHY-CABCVRRESA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](NC(=O)C1(C2CC2)CC1)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575257167 949266329 /nfs/dbraw/zinc/26/63/29/949266329.db2.gz YOSXMVMQXBWKLN-STQMWFEESA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](NC(=O)C1(C2CC2)CC1)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575257167 949266343 /nfs/dbraw/zinc/26/63/43/949266343.db2.gz YOSXMVMQXBWKLN-STQMWFEESA-N -1 1 382.472 1.568 20 0 GDADMM CC(C)(C)C(=O)N1CCC[C@H]([C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001573792784 949266762 /nfs/dbraw/zinc/26/67/62/949266762.db2.gz VKKAYOZJJDXZOF-KBPBESRZSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccnc1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574940609 949267941 /nfs/dbraw/zinc/26/79/41/949267941.db2.gz HKXMJWANQCKLGF-VIFPVBQESA-N -1 1 392.876 1.779 20 0 GDADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)C[C@H]2CCCOC2)CC1 ZINC001575857715 949271734 /nfs/dbraw/zinc/27/17/34/949271734.db2.gz UFSGBEQZOBNKFW-CYBMUJFWSA-N -1 1 386.460 1.266 20 0 GDADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)C[C@H]2CCCOC2)CC1 ZINC001575857715 949271755 /nfs/dbraw/zinc/27/17/55/949271755.db2.gz UFSGBEQZOBNKFW-CYBMUJFWSA-N -1 1 386.460 1.266 20 0 GDADMM CC(C)n1cc(C(=O)N[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C2CC2)cn1 ZINC001574452912 949276195 /nfs/dbraw/zinc/27/61/95/949276195.db2.gz RKGASZNQANUFIT-ZDUSSCGKSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cc(C(=O)N[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C2CC2)cn1 ZINC001574452912 949276217 /nfs/dbraw/zinc/27/62/17/949276217.db2.gz RKGASZNQANUFIT-ZDUSSCGKSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@]1(C)CCc2ccccc21)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574702841 949300084 /nfs/dbraw/zinc/30/00/84/949300084.db2.gz MRDFASKIJPJOGT-XCLFUZPHSA-N -1 1 392.467 1.242 20 0 GDADMM CC(C)CC(=O)N1CCC[C@@H]([C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001574108968 949309935 /nfs/dbraw/zinc/30/99/35/949309935.db2.gz SSASKZQMKARHHJ-HUUCEWRRSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](NC(=O)C1CC2(CC2)C1)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575258764 949313931 /nfs/dbraw/zinc/31/39/31/949313931.db2.gz KIGYVWMPRRSXLR-CHWSQXEVSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](NC(=O)C1CC2(CC2)C1)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575258764 949313953 /nfs/dbraw/zinc/31/39/53/949313953.db2.gz KIGYVWMPRRSXLR-CHWSQXEVSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](CNC(=O)Cc1ccoc1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574941718 949316597 /nfs/dbraw/zinc/31/65/97/949316597.db2.gz GOWHMIMWSIQTKB-MRVPVSSYSA-N -1 1 381.849 1.977 20 0 GDADMM C[C@@H](NC(=O)C1=COCCC1)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575259209 949321297 /nfs/dbraw/zinc/32/12/97/949321297.db2.gz NUNRILAPDIXWIB-OLZOCXBDSA-N -1 1 384.444 1.072 20 0 GDADMM C[C@@H](NC(=O)C1=COCCC1)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575259209 949321322 /nfs/dbraw/zinc/32/13/22/949321322.db2.gz NUNRILAPDIXWIB-OLZOCXBDSA-N -1 1 384.444 1.072 20 0 GDADMM C[C@@H]1CCC[C@]1(C)C(=O)NCCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001576154153 949324498 /nfs/dbraw/zinc/32/44/98/949324498.db2.gz NTWILOZWMMACCX-YJYMSZOUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCC[C@]1(C)C(=O)NCCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001576154153 949324529 /nfs/dbraw/zinc/32/45/29/949324529.db2.gz NTWILOZWMMACCX-YJYMSZOUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(F)c1F)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574942090 949333844 /nfs/dbraw/zinc/33/38/44/949333844.db2.gz VMDHZGLJPFETFS-SNVBAGLBSA-N -1 1 388.382 1.342 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(F)c1F)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574942090 949333869 /nfs/dbraw/zinc/33/38/69/949333869.db2.gz VMDHZGLJPFETFS-SNVBAGLBSA-N -1 1 388.382 1.342 20 0 GDADMM CC1=CC[C@](C)(C(=O)N[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)CC1 ZINC001575863714 949349385 /nfs/dbraw/zinc/34/93/85/949349385.db2.gz DDNDFELQDWKYLH-LPMFXHHGSA-N -1 1 382.472 1.734 20 0 GDADMM CC1=CC[C@](C)(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)CC1 ZINC001575863714 949349400 /nfs/dbraw/zinc/34/94/00/949349400.db2.gz DDNDFELQDWKYLH-LPMFXHHGSA-N -1 1 382.472 1.734 20 0 GDADMM C[C@H](NC(=O)C1C=CC=CC=C1)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575260595 949359740 /nfs/dbraw/zinc/35/97/40/949359740.db2.gz WCPOWIZPNPQYHJ-GOEBONIOSA-N -1 1 392.467 1.676 20 0 GDADMM C[C@H](NC(=O)C1C=CC=CC=C1)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575260595 949359762 /nfs/dbraw/zinc/35/97/62/949359762.db2.gz WCPOWIZPNPQYHJ-GOEBONIOSA-N -1 1 392.467 1.676 20 0 GDADMM CC(C)n1cccc1C(=O)N(C)C1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574459535 949360416 /nfs/dbraw/zinc/36/04/16/949360416.db2.gz IZVJGPFBGQEEFS-UHFFFAOYSA-N -1 1 381.444 1.754 20 0 GDADMM CC(C)n1cccc1C(=O)N(C)C1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574459535 949360430 /nfs/dbraw/zinc/36/04/30/949360430.db2.gz IZVJGPFBGQEEFS-UHFFFAOYSA-N -1 1 381.444 1.754 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H](C)NC(=O)CC(C)(C)C(F)(F)F ZINC001575263110 949389044 /nfs/dbraw/zinc/38/90/44/949389044.db2.gz DQJUPFJJGPJALB-DTWKUNHWSA-N -1 1 386.382 1.940 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H](C)NC(=O)CC(C)(C)C(F)(F)F ZINC001575263110 949389068 /nfs/dbraw/zinc/38/90/68/949389068.db2.gz DQJUPFJJGPJALB-DTWKUNHWSA-N -1 1 386.382 1.940 20 0 GDADMM CC(C)n1cnc(C(=O)N2CCC[C@H]2CNc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001574463908 949391236 /nfs/dbraw/zinc/39/12/36/949391236.db2.gz AWHPWJFCQICOJP-LBPRGKRZSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1cnc(C(=O)N2CCC[C@H]2CNc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001574463908 949391256 /nfs/dbraw/zinc/39/12/56/949391256.db2.gz AWHPWJFCQICOJP-LBPRGKRZSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@H]1[C@H](NC(=O)C(C)(C)C(F)F)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575866114 949391521 /nfs/dbraw/zinc/39/15/21/949391521.db2.gz CYZJCFSLLBFYDM-VHSXEESVSA-N -1 1 380.403 1.422 20 0 GDADMM C[C@H]1[C@H](NC(=O)C(C)(C)C(F)F)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575866114 949391542 /nfs/dbraw/zinc/39/15/42/949391542.db2.gz CYZJCFSLLBFYDM-VHSXEESVSA-N -1 1 380.403 1.422 20 0 GDADMM CC(C)n1cnc(C(=O)NC[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001574463984 949392587 /nfs/dbraw/zinc/39/25/87/949392587.db2.gz DNNQNMPEPFHJTI-TXEJJXNPSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cnc(C(=O)NC[C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001574463984 949392608 /nfs/dbraw/zinc/39/26/08/949392608.db2.gz DNNQNMPEPFHJTI-TXEJJXNPSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1CCCCC1(F)F)Nc1nccnc1-c1nnn[n-]1 ZINC001574704582 949400362 /nfs/dbraw/zinc/40/03/62/949400362.db2.gz DCZXTOHPFMFKMA-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1CCCCC1(F)F)Nc1nccnc1-c1nn[n-]n1 ZINC001574704582 949400369 /nfs/dbraw/zinc/40/03/69/949400369.db2.gz DCZXTOHPFMFKMA-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H](C)NC(=O)C1Cc2ccccc2C1 ZINC001575263585 949403565 /nfs/dbraw/zinc/40/35/65/949403565.db2.gz IGFYDHFABOGZPV-NEPJUHHUSA-N -1 1 378.440 1.377 20 0 GDADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)C1Cc2ccccc2C1 ZINC001575263585 949403573 /nfs/dbraw/zinc/40/35/73/949403573.db2.gz IGFYDHFABOGZPV-NEPJUHHUSA-N -1 1 378.440 1.377 20 0 GDADMM CC(C)n1cccc1C(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574464228 949403688 /nfs/dbraw/zinc/40/36/88/949403688.db2.gz GQEGUVRBCNJNDD-ZDUSSCGKSA-N -1 1 381.444 1.390 20 0 GDADMM CC1(C)CN(C(=O)C2(C)CCOCC2)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001575528567 949404744 /nfs/dbraw/zinc/40/47/44/949404744.db2.gz XJSWEAIZVKKQDB-GFCCVEGCSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CN(C(=O)C2(C)CCOCC2)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001575528567 949404759 /nfs/dbraw/zinc/40/47/59/949404759.db2.gz XJSWEAIZVKKQDB-GFCCVEGCSA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC001574464263 949405665 /nfs/dbraw/zinc/40/56/65/949405665.db2.gz ICJDIPCVIHIUJG-OLZOCXBDSA-N -1 1 381.444 1.436 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C ZINC001574464263 949405680 /nfs/dbraw/zinc/40/56/80/949405680.db2.gz ICJDIPCVIHIUJG-OLZOCXBDSA-N -1 1 381.444 1.436 20 0 GDADMM C[C@]1(C(=O)N2CCC(CNc3nccnc3-c3nnn[n-]3)CC2)CCCOC1 ZINC001575533539 949416097 /nfs/dbraw/zinc/41/60/97/949416097.db2.gz HDPVAUUSUZFLSM-SFHVURJKSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@]1(C(=O)N2CCC(CNc3nccnc3-c3nn[n-]n3)CC2)CCCOC1 ZINC001575533539 949416112 /nfs/dbraw/zinc/41/61/12/949416112.db2.gz HDPVAUUSUZFLSM-SFHVURJKSA-N -1 1 386.460 1.124 20 0 GDADMM CC(C)n1cnc(C(=O)N[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C2CC2)c1 ZINC001574465099 949430382 /nfs/dbraw/zinc/43/03/82/949430382.db2.gz XGYQGQQESNKJPY-LBPRGKRZSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cnc(C(=O)N[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C2CC2)c1 ZINC001574465099 949430399 /nfs/dbraw/zinc/43/03/99/949430399.db2.gz XGYQGQQESNKJPY-LBPRGKRZSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cccc1C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCC1 ZINC001574465157 949432898 /nfs/dbraw/zinc/43/28/98/949432898.db2.gz QGSVOFOESLOUGH-UHFFFAOYSA-N -1 1 381.444 1.804 20 0 GDADMM CC(C)n1cccc1C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCC1 ZINC001574465157 949432909 /nfs/dbraw/zinc/43/29/09/949432909.db2.gz QGSVOFOESLOUGH-UHFFFAOYSA-N -1 1 381.444 1.804 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccc[nH]1 ZINC001576156247 949434725 /nfs/dbraw/zinc/43/47/25/949434725.db2.gz MGARESOZRORDNW-KZULUSFZSA-N -1 1 381.444 1.198 20 0 GDADMM CC(C)(C)C(=O)NC[C@@H]1Cc2ccccc2CN1c1ccc(-c2nnn[n-]2)nn1 ZINC001573803657 949447271 /nfs/dbraw/zinc/44/72/71/949447271.db2.gz UDXYYNVDFHVWQZ-HNNXBMFYSA-N -1 1 392.467 1.750 20 0 GDADMM CC(C)(C)C(=O)NC[C@@H]1Cc2ccccc2CN1c1ccc(-c2nn[n-]n2)nn1 ZINC001573803657 949447281 /nfs/dbraw/zinc/44/72/81/949447281.db2.gz UDXYYNVDFHVWQZ-HNNXBMFYSA-N -1 1 392.467 1.750 20 0 GDADMM C[C@@H](Nc1nc(-c2nn[n-]n2)c(Cl)s1)[C@H](C)NC(=O)C1CCOCC1 ZINC001575265542 949448360 /nfs/dbraw/zinc/44/83/60/949448360.db2.gz UNWOHRAXQMOSEU-JGVFFNPUSA-N -1 1 385.881 1.708 20 0 GDADMM CC(C)n1nccc1C(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574468898 949473717 /nfs/dbraw/zinc/47/37/17/949473717.db2.gz UWVCKGZNIRKTRC-GFCCVEGCSA-N -1 1 382.432 1.008 20 0 GDADMM CC(C)n1nccc1C(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574468898 949473732 /nfs/dbraw/zinc/47/37/32/949473732.db2.gz UWVCKGZNIRKTRC-GFCCVEGCSA-N -1 1 382.432 1.008 20 0 GDADMM CC(C)CC(=O)N[C@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C[C@@H]1O ZINC001574117500 949474395 /nfs/dbraw/zinc/47/43/95/949474395.db2.gz VXKNCJXZXGJBBK-IUCAKERBSA-N -1 1 385.881 1.079 20 0 GDADMM CC(C)CC(=O)N[C@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C[C@@H]1O ZINC001574117500 949474399 /nfs/dbraw/zinc/47/43/99/949474399.db2.gz VXKNCJXZXGJBBK-IUCAKERBSA-N -1 1 385.881 1.079 20 0 GDADMM C[C@H](NC(=O)CC1CCCC1)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575266395 949477782 /nfs/dbraw/zinc/47/77/82/949477782.db2.gz CTABBMDPWVNDLL-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](NC(=O)CC1CCCC1)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575266395 949477798 /nfs/dbraw/zinc/47/77/98/949477798.db2.gz CTABBMDPWVNDLL-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCCO1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574707872 949480293 /nfs/dbraw/zinc/48/02/93/949480293.db2.gz RHVMBRPBXQRSDV-IUCAKERBSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1CCCCO1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574708243 949488021 /nfs/dbraw/zinc/48/80/21/949488021.db2.gz UTBPZVRCGKSCPR-DTWKUNHWSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1CCCCO1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574708243 949488038 /nfs/dbraw/zinc/48/80/38/949488038.db2.gz UTBPZVRCGKSCPR-DTWKUNHWSA-N -1 1 385.881 1.805 20 0 GDADMM CC(C)(C)C(=O)NCc1cccc2c1CCN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001573806501 949489672 /nfs/dbraw/zinc/48/96/72/949489672.db2.gz QOZWAHGQRDEHEO-UHFFFAOYSA-N -1 1 392.467 1.882 20 0 GDADMM CC(C)(C)C(=O)NCc1cccc2c1CCN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001573806501 949489686 /nfs/dbraw/zinc/48/96/86/949489686.db2.gz QOZWAHGQRDEHEO-UHFFFAOYSA-N -1 1 392.467 1.882 20 0 GDADMM C[C@H](NC(=O)CCC1(C)CC1)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575266986 949496419 /nfs/dbraw/zinc/49/64/19/949496419.db2.gz GELAPCKMUZXKEY-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](NC(=O)CCC1(C)CC1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575266986 949496425 /nfs/dbraw/zinc/49/64/25/949496425.db2.gz GELAPCKMUZXKEY-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CC(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCC1(F)F ZINC001574119950 949501239 /nfs/dbraw/zinc/50/12/39/949501239.db2.gz LSEDSZYSQXWFLQ-LLVKDONJSA-N -1 1 380.403 1.281 20 0 GDADMM CC(C)CC(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCC1(F)F ZINC001574119950 949501253 /nfs/dbraw/zinc/50/12/53/949501253.db2.gz LSEDSZYSQXWFLQ-LLVKDONJSA-N -1 1 380.403 1.281 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1CCc2cccnc21)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574711459 949536578 /nfs/dbraw/zinc/53/65/78/949536578.db2.gz HNELNMMASZZFDZ-DGCLKSJQSA-N -1 1 379.428 1.041 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1CCc2cccnc21)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574711459 949536586 /nfs/dbraw/zinc/53/65/86/949536586.db2.gz HNELNMMASZZFDZ-DGCLKSJQSA-N -1 1 379.428 1.041 20 0 GDADMM C[C@H](CC(=O)N(C)[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1)c1ccncc1 ZINC001574472175 949545374 /nfs/dbraw/zinc/54/53/74/949545374.db2.gz REBAZGMAABQCNR-OLZOCXBDSA-N -1 1 381.444 1.504 20 0 GDADMM C[C@H](CC(=O)N(C)[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1)c1ccncc1 ZINC001574472175 949545388 /nfs/dbraw/zinc/54/53/88/949545388.db2.gz REBAZGMAABQCNR-OLZOCXBDSA-N -1 1 381.444 1.504 20 0 GDADMM C[C@H](CC(=O)N(C)[C@H](C)CNc1cncc(-c2nnn[n-]2)n1)c1ccncc1 ZINC001574472174 949546775 /nfs/dbraw/zinc/54/67/75/949546775.db2.gz REBAZGMAABQCNR-CHWSQXEVSA-N -1 1 381.444 1.504 20 0 GDADMM C[C@H](CC(=O)N(C)[C@H](C)CNc1cncc(-c2nn[n-]n2)n1)c1ccncc1 ZINC001574472174 949546793 /nfs/dbraw/zinc/54/67/93/949546793.db2.gz REBAZGMAABQCNR-CHWSQXEVSA-N -1 1 381.444 1.504 20 0 GDADMM C[C@H](CN(C)C(=O)C1CCOCC1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574711731 949552096 /nfs/dbraw/zinc/55/20/96/949552096.db2.gz KXRZJSKTWNMKIC-MRVPVSSYSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@H](CN(C)C(=O)C1CCOCC1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574711731 949552114 /nfs/dbraw/zinc/55/21/14/949552114.db2.gz KXRZJSKTWNMKIC-MRVPVSSYSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H]1CCCC[C@@H]1OCC(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001576164575 949559481 /nfs/dbraw/zinc/55/94/81/949559481.db2.gz HNMXCCKUVKLDIC-OCCSQVGLSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H]1CCCC[C@@H]1OCC(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001576164575 949559499 /nfs/dbraw/zinc/55/94/99/949559499.db2.gz HNMXCCKUVKLDIC-OCCSQVGLSA-N -1 1 386.460 1.313 20 0 GDADMM CC(C)C[C@H](C(=O)NC[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1)n1ccnc1 ZINC001574124116 949566709 /nfs/dbraw/zinc/56/67/09/949566709.db2.gz CEAUQQKLPQOCRW-GXTWGEPZSA-N -1 1 384.448 1.057 20 0 GDADMM C[C@H]1CCCN(C(=O)C(=O)C(C)(C)C)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576165349 949570186 /nfs/dbraw/zinc/57/01/86/949570186.db2.gz JTCALMWSPGIEFN-WCQYABFASA-N -1 1 386.460 1.311 20 0 GDADMM C[C@H]1CCCN(C(=O)C(=O)C(C)(C)C)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576165349 949570203 /nfs/dbraw/zinc/57/02/03/949570203.db2.gz JTCALMWSPGIEFN-WCQYABFASA-N -1 1 386.460 1.311 20 0 GDADMM C[C@H]1CCCN(C(=O)CC(F)(F)F)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576166076 949576710 /nfs/dbraw/zinc/57/67/10/949576710.db2.gz LAVNXFSJZMIWPW-ONGXEEELSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H]1CCCN(C(=O)CC(F)(F)F)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576166076 949576724 /nfs/dbraw/zinc/57/67/24/949576724.db2.gz LAVNXFSJZMIWPW-ONGXEEELSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H]1CCCC[C@H]1OCC(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001576166516 949582004 /nfs/dbraw/zinc/58/20/04/949582004.db2.gz MSILHIAMLJZPGA-QWHCGFSZSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H]1CCCC[C@H]1OCC(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001576166516 949582021 /nfs/dbraw/zinc/58/20/21/949582021.db2.gz MSILHIAMLJZPGA-QWHCGFSZSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H]1[C@H](NC(=O)CCc2ccccc2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575873767 949589800 /nfs/dbraw/zinc/58/98/00/949589800.db2.gz CLDCPZQEBRXURP-GOEBONIOSA-N -1 1 392.467 1.763 20 0 GDADMM C[C@H]1[C@H](NC(=O)CCc2ccccc2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575873767 949589816 /nfs/dbraw/zinc/58/98/16/949589816.db2.gz CLDCPZQEBRXURP-GOEBONIOSA-N -1 1 392.467 1.763 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574957188 949598835 /nfs/dbraw/zinc/59/88/35/949598835.db2.gz RZIYIBKYNLASBM-AXFHLTTASA-N -1 1 398.393 1.942 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574957188 949598845 /nfs/dbraw/zinc/59/88/45/949598845.db2.gz RZIYIBKYNLASBM-AXFHLTTASA-N -1 1 398.393 1.942 20 0 GDADMM CC1(C(=O)N2CCC[C@H]3[C@@H]2CCN3c2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001575545642 949600550 /nfs/dbraw/zinc/60/05/50/949600550.db2.gz MUPDARMAOLKGQI-KBPBESRZSA-N -1 1 382.472 1.807 20 0 GDADMM C[C@@H](CNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574957547 949620683 /nfs/dbraw/zinc/62/06/83/949620683.db2.gz ATTLMUUJIACYSH-AGKSTNPPSA-N -1 1 392.467 1.791 20 0 GDADMM C[C@@H](CNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574957547 949620696 /nfs/dbraw/zinc/62/06/96/949620696.db2.gz ATTLMUUJIACYSH-AGKSTNPPSA-N -1 1 392.467 1.791 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@H](C)c1ccncc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574714095 949624529 /nfs/dbraw/zinc/62/45/29/949624529.db2.gz BYDXQSCBXIIXOR-QWHCGFSZSA-N -1 1 381.444 1.504 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@H](C)c1ccncc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574714095 949624539 /nfs/dbraw/zinc/62/45/39/949624539.db2.gz BYDXQSCBXIIXOR-QWHCGFSZSA-N -1 1 381.444 1.504 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)Cc2ccccc2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575875532 949632093 /nfs/dbraw/zinc/63/20/93/949632093.db2.gz IKCFKCIDFXTEKE-HIFRSBDPSA-N -1 1 378.440 1.373 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)Cc2ccccc2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575875532 949632103 /nfs/dbraw/zinc/63/21/03/949632103.db2.gz IKCFKCIDFXTEKE-HIFRSBDPSA-N -1 1 378.440 1.373 20 0 GDADMM C[C@@H]1CCCC[C@@H]1OCC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576168433 949637599 /nfs/dbraw/zinc/63/75/99/949637599.db2.gz ULVYCIZJNOCQIC-BHPKHCPMSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H]1CCCC[C@@H]1OCC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576168433 949637610 /nfs/dbraw/zinc/63/76/10/949637610.db2.gz ULVYCIZJNOCQIC-BHPKHCPMSA-N -1 1 386.460 1.311 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cc(Cl)no1 ZINC001573814183 949639697 /nfs/dbraw/zinc/63/96/97/949639697.db2.gz BBEMWDZTMLKXOD-JTQLQIEISA-N -1 1 391.823 1.555 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cc(Cl)no1 ZINC001573814183 949639704 /nfs/dbraw/zinc/63/97/04/949639704.db2.gz BBEMWDZTMLKXOD-JTQLQIEISA-N -1 1 391.823 1.555 20 0 GDADMM C[C@@H](NC(=O)CCCc1cccnc1)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575272385 949643586 /nfs/dbraw/zinc/64/35/86/949643586.db2.gz PWRIDOTZVHMBDS-CHWSQXEVSA-N -1 1 381.444 1.380 20 0 GDADMM C[C@@H](NC(=O)CCCc1cccnc1)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575272385 949643598 /nfs/dbraw/zinc/64/35/98/949643598.db2.gz PWRIDOTZVHMBDS-CHWSQXEVSA-N -1 1 381.444 1.380 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574958026 949645052 /nfs/dbraw/zinc/64/50/52/949645052.db2.gz CUBFJIVRQSDPMS-KWCYVHTRSA-N -1 1 379.428 1.020 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574958026 949645065 /nfs/dbraw/zinc/64/50/65/949645065.db2.gz CUBFJIVRQSDPMS-KWCYVHTRSA-N -1 1 379.428 1.020 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574958025 949645093 /nfs/dbraw/zinc/64/50/93/949645093.db2.gz CUBFJIVRQSDPMS-FPMFFAJLSA-N -1 1 379.428 1.020 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574958025 949645104 /nfs/dbraw/zinc/64/51/04/949645104.db2.gz CUBFJIVRQSDPMS-FPMFFAJLSA-N -1 1 379.428 1.020 20 0 GDADMM C[C@H](CN(C)C(=O)CCCC1CCOCC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574715424 949652361 /nfs/dbraw/zinc/65/23/61/949652361.db2.gz CLBHETMSUPOXIT-CYBMUJFWSA-N -1 1 388.476 1.512 20 0 GDADMM C[C@H](CN(C)C(=O)CCCC1CCOCC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574715424 949652371 /nfs/dbraw/zinc/65/23/71/949652371.db2.gz CLBHETMSUPOXIT-CYBMUJFWSA-N -1 1 388.476 1.512 20 0 GDADMM C[C@@H](CC(=O)N(C)CCCN(C)c1ccnc(-c2nn[n-]n2)n1)c1ccco1 ZINC001574477464 949662113 /nfs/dbraw/zinc/66/21/13/949662113.db2.gz RJZVBGKLTLXBBZ-ZDUSSCGKSA-N -1 1 384.444 1.728 20 0 GDADMM C[C@H](CC(=O)N(C)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001574477529 949662656 /nfs/dbraw/zinc/66/26/56/949662656.db2.gz RZNQYNOTJLQSRR-KGLIPLIRSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@H](CC(=O)N(C)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001574477529 949662667 /nfs/dbraw/zinc/66/26/67/949662667.db2.gz RZNQYNOTJLQSRR-KGLIPLIRSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@]1(C(=O)N2CCN(c3nc(Cl)c(-c4nnn[n-]4)s3)CC2)CCOC1 ZINC001575548361 949673626 /nfs/dbraw/zinc/67/36/26/949673626.db2.gz YCFKXEPAFJYDRT-CQSZACIVSA-N -1 1 383.865 1.052 20 0 GDADMM C[C@@]1(C(=O)N2CCN(c3nc(Cl)c(-c4nn[n-]n4)s3)CC2)CCOC1 ZINC001575548361 949673640 /nfs/dbraw/zinc/67/36/40/949673640.db2.gz YCFKXEPAFJYDRT-CQSZACIVSA-N -1 1 383.865 1.052 20 0 GDADMM C[C@H](CC(=O)N(C)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001574477812 949680591 /nfs/dbraw/zinc/68/05/91/949680591.db2.gz UVMPXULUFSBTDK-ZIAGYGMSSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@H](CC(=O)N(C)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574477812 949680601 /nfs/dbraw/zinc/68/06/01/949680601.db2.gz UVMPXULUFSBTDK-ZIAGYGMSSA-N -1 1 381.444 1.147 20 0 GDADMM CC1(C(=O)N[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C2CC2)CC(F)(F)C1 ZINC001575557206 949710104 /nfs/dbraw/zinc/71/01/04/949710104.db2.gz DFKZKKCDVJPJPT-JTQLQIEISA-N -1 1 378.387 1.399 20 0 GDADMM CC1(C(=O)N[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C2CC2)CC(F)(F)C1 ZINC001575557206 949710110 /nfs/dbraw/zinc/71/01/10/949710110.db2.gz DFKZKKCDVJPJPT-JTQLQIEISA-N -1 1 378.387 1.399 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@]1(C)CCCOC1 ZINC001575557342 949716711 /nfs/dbraw/zinc/71/67/11/949716711.db2.gz HSZSKWJUSXIRJL-ACJLOTCBSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@]1(C)CCCOC1 ZINC001575557342 949716722 /nfs/dbraw/zinc/71/67/22/949716722.db2.gz HSZSKWJUSXIRJL-ACJLOTCBSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccc(Cl)o1 ZINC001573818080 949717471 /nfs/dbraw/zinc/71/74/71/949717471.db2.gz FZRLZKJVRCKYOR-SNVBAGLBSA-N -1 1 390.835 1.582 20 0 GDADMM C[C@H]1CCCN(C(=O)Cc2ccccc2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576170473 949720115 /nfs/dbraw/zinc/72/01/15/949720115.db2.gz LDYBYMDWBQYIMV-YOEHRIQHSA-N -1 1 392.467 1.938 20 0 GDADMM C[C@H]1CCCN(C(=O)Cc2ccccc2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576170473 949720129 /nfs/dbraw/zinc/72/01/29/949720129.db2.gz LDYBYMDWBQYIMV-YOEHRIQHSA-N -1 1 392.467 1.938 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574480436 949748779 /nfs/dbraw/zinc/74/87/79/949748779.db2.gz IJXTZFABPPTHMD-GOEBONIOSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@@H](CC(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1)c1ccco1 ZINC001574480457 949754130 /nfs/dbraw/zinc/75/41/30/949754130.db2.gz IPWVVGFAHNAACW-LBPRGKRZSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@@H](CC(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1)c1ccco1 ZINC001574480457 949754144 /nfs/dbraw/zinc/75/41/44/949754144.db2.gz IPWVVGFAHNAACW-LBPRGKRZSA-N -1 1 382.428 1.846 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CC[C@H]1CCOC1 ZINC001573819805 949758082 /nfs/dbraw/zinc/75/80/82/949758082.db2.gz VOVFNHNWYHHHMO-GXTWGEPZSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CC[C@H]1CCOC1 ZINC001573819805 949758103 /nfs/dbraw/zinc/75/81/03/949758103.db2.gz VOVFNHNWYHHHMO-GXTWGEPZSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1)C1CC1 ZINC001574481063 949763114 /nfs/dbraw/zinc/76/31/14/949763114.db2.gz MFJRNHFOSROAHZ-ZIAGYGMSSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1)C1CC1 ZINC001574481063 949763126 /nfs/dbraw/zinc/76/31/26/949763126.db2.gz MFJRNHFOSROAHZ-ZIAGYGMSSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@H]1CCC(F)(F)C1)Nc1nccnc1-c1nnn[n-]1 ZINC001574718182 949765855 /nfs/dbraw/zinc/76/58/55/949765855.db2.gz ZDVNQODPGVBMIR-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@H]1CCC(F)(F)C1)Nc1nccnc1-c1nn[n-]n1 ZINC001574718182 949765866 /nfs/dbraw/zinc/76/58/66/949765866.db2.gz ZDVNQODPGVBMIR-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H]1[C@H](NC(=O)Cc2cccs2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575882373 949768253 /nfs/dbraw/zinc/76/82/53/949768253.db2.gz JRVBXXZYZZJRDO-DGCLKSJQSA-N -1 1 384.469 1.434 20 0 GDADMM C[C@@H]1[C@H](NC(=O)Cc2cccs2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575882373 949768265 /nfs/dbraw/zinc/76/82/65/949768265.db2.gz JRVBXXZYZZJRDO-DGCLKSJQSA-N -1 1 384.469 1.434 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@H]1CCCO1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574718317 949770496 /nfs/dbraw/zinc/77/04/96/949770496.db2.gz ZTYRAYHXNXBFNU-DTWKUNHWSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@H]1CCCO1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574718317 949770505 /nfs/dbraw/zinc/77/05/05/949770505.db2.gz ZTYRAYHXNXBFNU-DTWKUNHWSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@@H]1CCCO1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574718316 949770839 /nfs/dbraw/zinc/77/08/39/949770839.db2.gz ZTYRAYHXNXBFNU-BDAKNGLRSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@@H]1CCCO1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574718316 949770846 /nfs/dbraw/zinc/77/08/46/949770846.db2.gz ZTYRAYHXNXBFNU-BDAKNGLRSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@@H]1CCCC[C@H]1CC(=O)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001576172018 949784781 /nfs/dbraw/zinc/78/47/81/949784781.db2.gz SNIQCPBIWBEMMW-CABCVRRESA-N -1 1 384.488 1.912 20 0 GDADMM C[C@@H]1CCCC[C@H]1CC(=O)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001576172018 949784805 /nfs/dbraw/zinc/78/48/05/949784805.db2.gz SNIQCPBIWBEMMW-CABCVRRESA-N -1 1 384.488 1.912 20 0 GDADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)Cc1c(F)cccc1F ZINC001575280830 949787860 /nfs/dbraw/zinc/78/78/60/949787860.db2.gz AHOGFIWLSLHPSS-ZJUUUORDSA-N -1 1 388.382 1.483 20 0 GDADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)Cc1c(F)cccc1F ZINC001575280830 949787883 /nfs/dbraw/zinc/78/78/83/949787883.db2.gz AHOGFIWLSLHPSS-ZJUUUORDSA-N -1 1 388.382 1.483 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccncc1F ZINC001573822561 949797803 /nfs/dbraw/zinc/79/78/03/949797803.db2.gz JRYSQHAHSBEENG-GFCCVEGCSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccncc1F ZINC001573822561 949797826 /nfs/dbraw/zinc/79/78/26/949797826.db2.gz JRYSQHAHSBEENG-GFCCVEGCSA-N -1 1 385.407 1.447 20 0 GDADMM CC1(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2ccnc(-c3nn[n-]n3)n2)CC=CC1 ZINC001575561039 949799513 /nfs/dbraw/zinc/79/95/13/949799513.db2.gz XVVDAJKBARXWAV-AGUYFDCRSA-N -1 1 380.456 1.629 20 0 GDADMM C[C@@H]1CCCC[C@@H]1C(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001576172407 949806529 /nfs/dbraw/zinc/80/65/29/949806529.db2.gz UPOXIURHGXXGMU-KBXIAJHMSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H]1CCCC[C@@H]1C(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001576172407 949806555 /nfs/dbraw/zinc/80/65/55/949806555.db2.gz UPOXIURHGXXGMU-KBXIAJHMSA-N -1 1 382.472 1.378 20 0 GDADMM CC1(C(=O)N[C@@H]2CC[C@H](CNc3nccnc3-c3nnn[n-]3)C2)CC(F)(F)C1 ZINC001575561630 949807962 /nfs/dbraw/zinc/80/79/62/949807962.db2.gz BPAXYZKIGFLBJG-WDEREUQCSA-N -1 1 392.414 1.789 20 0 GDADMM CC1(C(=O)N[C@@H]2CC[C@H](CNc3nccnc3-c3nn[n-]n3)C2)CC(F)(F)C1 ZINC001575561630 949807986 /nfs/dbraw/zinc/80/79/86/949807986.db2.gz BPAXYZKIGFLBJG-WDEREUQCSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@@H](CN(C)C(=O)CCCc1cccs1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574721135 949810163 /nfs/dbraw/zinc/81/01/63/949810163.db2.gz JMDDRWNOSRLUGQ-LBPRGKRZSA-N -1 1 386.485 2.000 20 0 GDADMM C[C@@H](CN(C)C(=O)CCCc1cccs1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574721135 949810187 /nfs/dbraw/zinc/81/01/87/949810187.db2.gz JMDDRWNOSRLUGQ-LBPRGKRZSA-N -1 1 386.485 2.000 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001573823029 949813906 /nfs/dbraw/zinc/81/39/06/949813906.db2.gz QBPWGBJOSZFNQB-FVCCEPFGSA-N -1 1 386.460 1.167 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001573823029 949813927 /nfs/dbraw/zinc/81/39/27/949813927.db2.gz QBPWGBJOSZFNQB-FVCCEPFGSA-N -1 1 386.460 1.167 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001574482010 949816214 /nfs/dbraw/zinc/81/62/14/949816214.db2.gz YPAOTSONKPDJKJ-QWHCGFSZSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001574482010 949816239 /nfs/dbraw/zinc/81/62/39/949816239.db2.gz YPAOTSONKPDJKJ-QWHCGFSZSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@@H](CNC(=O)c1c(F)cccc1Cl)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574965978 949828435 /nfs/dbraw/zinc/82/84/35/949828435.db2.gz QTTXUEGELQYQFW-SECBINFHSA-N -1 1 390.810 1.349 20 0 GDADMM C[C@@H]1CCCC[C@@H]1C(=O)NCCOCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001576173000 949831388 /nfs/dbraw/zinc/83/13/88/949831388.db2.gz WGUZQPMPBHNWFN-KGLIPLIRSA-N -1 1 388.476 1.052 20 0 GDADMM C[C@@H]1CCCC[C@@H]1C(=O)NCCOCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001576173000 949831404 /nfs/dbraw/zinc/83/14/04/949831404.db2.gz WGUZQPMPBHNWFN-KGLIPLIRSA-N -1 1 388.476 1.052 20 0 GDADMM C[C@H](CNC(=O)c1c(F)cc(F)cc1F)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574966006 949833056 /nfs/dbraw/zinc/83/30/56/949833056.db2.gz RODXGYUOBKLFFO-MRVPVSSYSA-N -1 1 392.345 1.329 20 0 GDADMM CC(C)(C)C1CC(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001573823880 949839196 /nfs/dbraw/zinc/83/91/96/949839196.db2.gz AJDHMFXDTMURBX-UHFFFAOYSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)C1CC(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC001573823880 949839219 /nfs/dbraw/zinc/83/92/19/949839219.db2.gz AJDHMFXDTMURBX-UHFFFAOYSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2cc(Cl)c[nH]2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575884292 949844041 /nfs/dbraw/zinc/84/40/41/949844041.db2.gz IQJWBUNAJVZTOQ-MWLCHTKSSA-N -1 1 387.835 1.426 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2cc(Cl)c[nH]2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575884292 949844057 /nfs/dbraw/zinc/84/40/57/949844057.db2.gz IQJWBUNAJVZTOQ-MWLCHTKSSA-N -1 1 387.835 1.426 20 0 GDADMM C[C@H](CNC(=O)c1c(F)cccc1Cl)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574966319 949844550 /nfs/dbraw/zinc/84/45/50/949844550.db2.gz XBOQOYXCGQITHW-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1c(F)cccc1Cl)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574966319 949844575 /nfs/dbraw/zinc/84/45/75/949844575.db2.gz XBOQOYXCGQITHW-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H]1CCCC[C@@H]1C(=O)NCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576173390 949845830 /nfs/dbraw/zinc/84/58/30/949845830.db2.gz YGKGQXATODNPHM-ZFWWWQNUSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H]1CCCC[C@@H]1C(=O)NCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576173390 949845855 /nfs/dbraw/zinc/84/58/55/949845855.db2.gz YGKGQXATODNPHM-ZFWWWQNUSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H]1[C@H](NC(=O)Cc2ccsc2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575886234 949874650 /nfs/dbraw/zinc/87/46/50/949874650.db2.gz XPGIVXHVKNDTLR-DGCLKSJQSA-N -1 1 384.469 1.434 20 0 GDADMM C[C@@H]1[C@H](NC(=O)Cc2ccsc2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575886234 949874665 /nfs/dbraw/zinc/87/46/65/949874665.db2.gz XPGIVXHVKNDTLR-DGCLKSJQSA-N -1 1 384.469 1.434 20 0 GDADMM CC1(C(=O)N[C@H]2CC[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)CC(F)(F)C1 ZINC001575565751 949886457 /nfs/dbraw/zinc/88/64/57/949886457.db2.gz XZAUULKWJIOAIM-QWRGUYRKSA-N -1 1 392.414 1.789 20 0 GDADMM CC1(C(=O)N[C@H]2CC[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)CC(F)(F)C1 ZINC001575565751 949886480 /nfs/dbraw/zinc/88/64/80/949886480.db2.gz XZAUULKWJIOAIM-QWRGUYRKSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@H](CC(=O)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C(F)(F)F ZINC001574484672 949892985 /nfs/dbraw/zinc/89/29/85/949892985.db2.gz LUKVVQWKPAGVIK-SNVBAGLBSA-N -1 1 384.366 1.284 20 0 GDADMM C[C@H](CC(=O)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C(F)(F)F ZINC001574484672 949893003 /nfs/dbraw/zinc/89/30/03/949893003.db2.gz LUKVVQWKPAGVIK-SNVBAGLBSA-N -1 1 384.366 1.284 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccco2)[C@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576179312 949913370 /nfs/dbraw/zinc/91/33/70/949913370.db2.gz FITFXIAKIOWPRX-JSGCOSHPSA-N -1 1 382.428 1.993 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccco2)[C@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576179312 949913388 /nfs/dbraw/zinc/91/33/88/949913388.db2.gz FITFXIAKIOWPRX-JSGCOSHPSA-N -1 1 382.428 1.993 20 0 GDADMM CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC1 ZINC001573828410 949933750 /nfs/dbraw/zinc/93/37/50/949933750.db2.gz SIXGVIAJFJYTBA-VXGBXAGGSA-N -1 1 389.460 1.240 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H](C)[C@H](CCNc2nccnc2-c2nnn[n-]2)C1)C1CC1 ZINC001574487721 949936233 /nfs/dbraw/zinc/93/62/33/949936233.db2.gz BJMCJPHWNRQYAC-GZBFAFLISA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H](C)[C@H](CCNc2nccnc2-c2nn[n-]n2)C1)C1CC1 ZINC001574487721 949936255 /nfs/dbraw/zinc/93/62/55/949936255.db2.gz BJMCJPHWNRQYAC-GZBFAFLISA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H](NC(=O)CN(C)c1ccccc1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575285899 949962968 /nfs/dbraw/zinc/96/29/68/949962968.db2.gz RQPMIVRVLJCIMW-OLZOCXBDSA-N -1 1 381.444 1.098 20 0 GDADMM C[C@@H](NC(=O)CN(C)c1ccccc1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575285899 949962988 /nfs/dbraw/zinc/96/29/88/949962988.db2.gz RQPMIVRVLJCIMW-OLZOCXBDSA-N -1 1 381.444 1.098 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001574490460 949994987 /nfs/dbraw/zinc/99/49/87/949994987.db2.gz SBHKPVRZOZNVEC-UTLUCORTSA-N -1 1 382.350 1.035 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001574490460 949995001 /nfs/dbraw/zinc/99/50/01/949995001.db2.gz SBHKPVRZOZNVEC-UTLUCORTSA-N -1 1 382.350 1.035 20 0 GDADMM C[C@@H](CC(=O)N[C@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001574491241 950027518 /nfs/dbraw/zinc/02/75/18/950027518.db2.gz BNTIVVRKPFYKOZ-LKFCYVNXSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](CC(=O)N[C@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001574491241 950027540 /nfs/dbraw/zinc/02/75/40/950027540.db2.gz BNTIVVRKPFYKOZ-LKFCYVNXSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H]1CCN(C(=O)C(C)(C)C2CC2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576182325 950045767 /nfs/dbraw/zinc/04/57/67/950045767.db2.gz ZDIGWJQDLCWJGH-STQMWFEESA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H]1CCN(C(=O)C(C)(C)C2CC2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576182325 950045789 /nfs/dbraw/zinc/04/57/89/950045789.db2.gz ZDIGWJQDLCWJGH-STQMWFEESA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cocn2)[C@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576182671 950059207 /nfs/dbraw/zinc/05/92/07/950059207.db2.gz OVECHYJHYWGFDY-FZMZJTMJSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cocn2)[C@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576182671 950059224 /nfs/dbraw/zinc/05/92/24/950059224.db2.gz OVECHYJHYWGFDY-FZMZJTMJSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cocn2)[C@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001576182757 950065436 /nfs/dbraw/zinc/06/54/36/950065436.db2.gz PFZZJUVZCMZCEY-RISCZKNCSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cocn2)[C@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001576182757 950065457 /nfs/dbraw/zinc/06/54/57/950065457.db2.gz PFZZJUVZCMZCEY-RISCZKNCSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1 ZINC001574492330 950078001 /nfs/dbraw/zinc/07/80/01/950078001.db2.gz MCWIBURMTKTSGM-DZGCQCFKSA-N -1 1 378.440 1.545 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1 ZINC001574492330 950078023 /nfs/dbraw/zinc/07/80/23/950078023.db2.gz MCWIBURMTKTSGM-DZGCQCFKSA-N -1 1 378.440 1.545 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nn1)C1CCCCC1 ZINC001574492341 950078561 /nfs/dbraw/zinc/07/85/61/950078561.db2.gz AJQGHGLSTMTXEC-JSGCOSHPSA-N -1 1 388.476 1.152 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nn1)C1CCCCC1 ZINC001574492341 950078582 /nfs/dbraw/zinc/07/85/82/950078582.db2.gz AJQGHGLSTMTXEC-JSGCOSHPSA-N -1 1 388.476 1.152 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C)C1CC1 ZINC001574492701 950099553 /nfs/dbraw/zinc/09/95/53/950099553.db2.gz ORASLKQCJWYOQO-IUODEOHRSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C)C1CC1 ZINC001574492701 950099576 /nfs/dbraw/zinc/09/95/76/950099576.db2.gz ORASLKQCJWYOQO-IUODEOHRSA-N -1 1 384.488 1.814 20 0 GDADMM O=C([O-])[C@@H]1CCCN(c2ccc(CN3CCC([C@H]4COC(=O)N4)CC3)o2)C1 ZINC001595294100 950101910 /nfs/dbraw/zinc/10/19/10/950101910.db2.gz XKPWEZAXDYMKSG-GDBMZVCRSA-N -1 1 377.441 1.901 20 0 GDADMM C[C@H](CC(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1)c1ccco1 ZINC001574492715 950104514 /nfs/dbraw/zinc/10/45/14/950104514.db2.gz OZZQPWOVSNKYCJ-PNESKVBLSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](CC(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1)c1ccco1 ZINC001574492715 950104531 /nfs/dbraw/zinc/10/45/31/950104531.db2.gz OZZQPWOVSNKYCJ-PNESKVBLSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccn(C)c2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576184347 950124612 /nfs/dbraw/zinc/12/46/12/950124612.db2.gz WCYZDICVZQEMAK-TZMCWYRMSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccn(C)c2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576184347 950124625 /nfs/dbraw/zinc/12/46/25/950124625.db2.gz WCYZDICVZQEMAK-TZMCWYRMSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@H](CC(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1)n1cccc1 ZINC001574493344 950127193 /nfs/dbraw/zinc/12/71/93/950127193.db2.gz FSQVUZRSYYMYRU-DOMZBBRYSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](CC(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1)n1cccc1 ZINC001574493344 950127218 /nfs/dbraw/zinc/12/72/18/950127218.db2.gz FSQVUZRSYYMYRU-DOMZBBRYSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1 ZINC001574493926 950145132 /nfs/dbraw/zinc/14/51/32/950145132.db2.gz VLQUGIVNMGUJJT-GDBMZVCRSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1 ZINC001574493926 950145151 /nfs/dbraw/zinc/14/51/51/950145151.db2.gz VLQUGIVNMGUJJT-GDBMZVCRSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H](CNC(=O)C[C@H](C)c1ccccc1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574494330 950159463 /nfs/dbraw/zinc/15/94/63/950159463.db2.gz KJBVOBZCBQGLIO-UONOGXRCSA-N -1 1 380.456 1.791 20 0 GDADMM C[C@H](CNC(=O)C[C@H](C)c1ccccc1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574494330 950159472 /nfs/dbraw/zinc/15/94/72/950159472.db2.gz KJBVOBZCBQGLIO-UONOGXRCSA-N -1 1 380.456 1.791 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC001574494296 950162401 /nfs/dbraw/zinc/16/24/01/950162401.db2.gz JWAJKOJQYCTWMP-KBPBESRZSA-N -1 1 380.456 1.791 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC001574494296 950162412 /nfs/dbraw/zinc/16/24/12/950162412.db2.gz JWAJKOJQYCTWMP-KBPBESRZSA-N -1 1 380.456 1.791 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccsn2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576190537 950163659 /nfs/dbraw/zinc/16/36/59/950163659.db2.gz AKTJMXIUOFGDEJ-GHMZBOCLSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccsn2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576190537 950163665 /nfs/dbraw/zinc/16/36/65/950163665.db2.gz AKTJMXIUOFGDEJ-GHMZBOCLSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccco1 ZINC001574494454 950164816 /nfs/dbraw/zinc/16/48/16/950164816.db2.gz ZBDVMHQPEZSULS-OLZOCXBDSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccco1 ZINC001574494454 950164831 /nfs/dbraw/zinc/16/48/31/950164831.db2.gz ZBDVMHQPEZSULS-OLZOCXBDSA-N -1 1 382.428 1.529 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1ccc(Cl)[nH]1 ZINC001574154120 950166815 /nfs/dbraw/zinc/16/68/15/950166815.db2.gz BOXWPAFMSIPGGG-JTQLQIEISA-N -1 1 389.851 1.895 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ccc(Cl)[nH]1 ZINC001574154120 950166826 /nfs/dbraw/zinc/16/68/26/950166826.db2.gz BOXWPAFMSIPGGG-JTQLQIEISA-N -1 1 389.851 1.895 20 0 GDADMM CC(C)[C@H](CNC(=O)C[C@H](C)c1ccco1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574494620 950172339 /nfs/dbraw/zinc/17/23/39/950172339.db2.gz LYVZTOUPXCGVIX-STQMWFEESA-N -1 1 384.444 1.996 20 0 GDADMM CC(C)[C@H](CNC(=O)C[C@H](C)c1ccco1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574494620 950172359 /nfs/dbraw/zinc/17/23/59/950172359.db2.gz LYVZTOUPXCGVIX-STQMWFEESA-N -1 1 384.444 1.996 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cscn2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576190877 950175631 /nfs/dbraw/zinc/17/56/31/950175631.db2.gz CIQDRLVTRFSKCQ-GHMZBOCLSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cscn2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576190877 950175642 /nfs/dbraw/zinc/17/56/42/950175642.db2.gz CIQDRLVTRFSKCQ-GHMZBOCLSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@@]1(C(=O)NC[C@@H]2CCCCN2c2nccnc2-c2nnn[n-]2)CC=CCC1 ZINC001575584772 950176986 /nfs/dbraw/zinc/17/69/86/950176986.db2.gz SDKBCJKAARJGLA-IFXJQAMLSA-N -1 1 382.472 1.878 20 0 GDADMM C[C@@]1(C(=O)NC[C@@H]2CCCCN2c2nccnc2-c2nn[n-]n2)CC=CCC1 ZINC001575584772 950176996 /nfs/dbraw/zinc/17/69/96/950176996.db2.gz SDKBCJKAARJGLA-IFXJQAMLSA-N -1 1 382.472 1.878 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](CO)Nc1cncc(-c2nnn[n-]2)n1)CC(C)(C)C ZINC001574494961 950191548 /nfs/dbraw/zinc/19/15/48/950191548.db2.gz QPUXPDRSKJJJFO-NEPJUHHUSA-N -1 1 376.465 1.008 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](CO)Nc1cncc(-c2nn[n-]n2)n1)CC(C)(C)C ZINC001574494961 950191566 /nfs/dbraw/zinc/19/15/66/950191566.db2.gz QPUXPDRSKJJJFO-NEPJUHHUSA-N -1 1 376.465 1.008 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H]1Cc2ccccc21 ZINC001574155544 950198257 /nfs/dbraw/zinc/19/82/57/950198257.db2.gz NIGAPRPMJHTGGO-HOCLYGCPSA-N -1 1 392.467 1.939 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H]1Cc2ccccc21 ZINC001574155544 950198273 /nfs/dbraw/zinc/19/82/73/950198273.db2.gz NIGAPRPMJHTGGO-HOCLYGCPSA-N -1 1 392.467 1.939 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2sccc2F)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575900671 950203582 /nfs/dbraw/zinc/20/35/82/950203582.db2.gz HDXYMIWNPIQKDX-KOLCDFICSA-N -1 1 388.432 1.645 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2sccc2F)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575900671 950203600 /nfs/dbraw/zinc/20/36/00/950203600.db2.gz HDXYMIWNPIQKDX-KOLCDFICSA-N -1 1 388.432 1.645 20 0 GDADMM C[C@H](CC(=O)NC[C@H](C)N(C)c1nccnc1-c1nnn[n-]1)c1ccncc1 ZINC001574496085 950212134 /nfs/dbraw/zinc/21/21/34/950212134.db2.gz VHSHMULDZPNONL-OLZOCXBDSA-N -1 1 381.444 1.186 20 0 GDADMM C[C@H](CC(=O)NC[C@H](C)N(C)c1nccnc1-c1nn[n-]n1)c1ccncc1 ZINC001574496085 950212151 /nfs/dbraw/zinc/21/21/51/950212151.db2.gz VHSHMULDZPNONL-OLZOCXBDSA-N -1 1 381.444 1.186 20 0 GDADMM CC(C)(C)CCC[NH+]1CC2(C1)CN(C(=O)c1cc(-c3nn[nH]n3)c[nH]1)CCO2 ZINC001573845146 950218751 /nfs/dbraw/zinc/21/87/51/950218751.db2.gz SRHWWNDSAIUSLN-UHFFFAOYSA-N -1 1 387.488 1.548 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccns2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576192299 950237184 /nfs/dbraw/zinc/23/71/84/950237184.db2.gz LUDYECSTABHRHE-QWRGUYRKSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccns2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576192299 950237202 /nfs/dbraw/zinc/23/72/02/950237202.db2.gz LUDYECSTABHRHE-QWRGUYRKSA-N -1 1 385.457 1.324 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cccc(=O)[nH]1 ZINC001574157430 950238604 /nfs/dbraw/zinc/23/86/04/950238604.db2.gz BDDJZKGZDQKEQP-NSHDSACASA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cccc(=O)[nH]1 ZINC001574157430 950238622 /nfs/dbraw/zinc/23/86/22/950238622.db2.gz BDDJZKGZDQKEQP-NSHDSACASA-N -1 1 383.416 1.014 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCOCC1)C1CC1 ZINC001574497762 950242237 /nfs/dbraw/zinc/24/22/37/950242237.db2.gz CIAUBBZEWSVDJY-LBPRGKRZSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCOCC1)C1CC1 ZINC001574497762 950242261 /nfs/dbraw/zinc/24/22/61/950242261.db2.gz CIAUBBZEWSVDJY-LBPRGKRZSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCOCC1)C1CC1 ZINC001574497835 950248282 /nfs/dbraw/zinc/24/82/82/950248282.db2.gz DVCFWKKDJSBXHM-GFCCVEGCSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCOCC1)C1CC1 ZINC001574497835 950248299 /nfs/dbraw/zinc/24/82/99/950248299.db2.gz DVCFWKKDJSBXHM-GFCCVEGCSA-N -1 1 386.460 1.170 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1 ZINC001573846428 950249631 /nfs/dbraw/zinc/24/96/31/950249631.db2.gz QZGURPFIKSBHMR-BFHYXJOUSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1 ZINC001573846428 950249641 /nfs/dbraw/zinc/24/96/41/950249641.db2.gz QZGURPFIKSBHMR-BFHYXJOUSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](CC(=O)NCC1CC(Nc2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001574498085 950259401 /nfs/dbraw/zinc/25/94/01/950259401.db2.gz JRLQJRLWORKCAA-HIFPTAJRSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](CC(=O)NCC1CC(Nc2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001574498085 950259419 /nfs/dbraw/zinc/25/94/19/950259419.db2.gz JRLQJRLWORKCAA-HIFPTAJRSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1)CC(C)(C)C ZINC001574498247 950265066 /nfs/dbraw/zinc/26/50/66/950265066.db2.gz LJXAPDNUNBKCFA-NEPJUHHUSA-N -1 1 376.465 1.008 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1)CC(C)(C)C ZINC001574498247 950265084 /nfs/dbraw/zinc/26/50/84/950265084.db2.gz LJXAPDNUNBKCFA-NEPJUHHUSA-N -1 1 376.465 1.008 20 0 GDADMM C[C@]1(C(=O)NCCC[C@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)C=CCC1 ZINC001575592228 950280975 /nfs/dbraw/zinc/28/09/75/950280975.db2.gz DNVWNKKQBBOKKU-LIRRHRJNSA-N -1 1 382.472 1.878 20 0 GDADMM C[C@@]1(C(=O)NCCC[C@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)C=CCC1 ZINC001575592226 950283396 /nfs/dbraw/zinc/28/33/96/950283396.db2.gz DNVWNKKQBBOKKU-IFXJQAMLSA-N -1 1 382.472 1.878 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](O)CNc1nccnc1-c1nnn[n-]1)C1CCCCC1 ZINC001574498864 950289960 /nfs/dbraw/zinc/28/99/60/950289960.db2.gz QMNKQTDHJHRXCJ-TZMCWYRMSA-N -1 1 388.476 1.152 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](O)CNc1nccnc1-c1nn[n-]n1)C1CCCCC1 ZINC001574498864 950289979 /nfs/dbraw/zinc/28/99/79/950289979.db2.gz QMNKQTDHJHRXCJ-TZMCWYRMSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C1(CCF)CC1 ZINC001574158806 950289968 /nfs/dbraw/zinc/28/99/68/950289968.db2.gz SZCYQPBGOGFARJ-GFCCVEGCSA-N -1 1 376.440 1.739 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C1(CCF)CC1 ZINC001574158806 950289989 /nfs/dbraw/zinc/28/99/89/950289989.db2.gz SZCYQPBGOGFARJ-GFCCVEGCSA-N -1 1 376.440 1.739 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H](C)n1cccn1 ZINC001574158794 950290256 /nfs/dbraw/zinc/29/02/56/950290256.db2.gz SSJCRTNONFQAHH-QWHCGFSZSA-N -1 1 384.448 1.057 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H](C)n1cccn1 ZINC001574158794 950290274 /nfs/dbraw/zinc/29/02/74/950290274.db2.gz SSJCRTNONFQAHH-QWHCGFSZSA-N -1 1 384.448 1.057 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@]1(C)CCCOC1 ZINC001574159324 950301759 /nfs/dbraw/zinc/30/17/59/950301759.db2.gz WILUKWWGUUGWAU-FZKQIMNGSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@]1(C)CCCOC1 ZINC001574159324 950301781 /nfs/dbraw/zinc/30/17/81/950301781.db2.gz WILUKWWGUUGWAU-FZKQIMNGSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1)C1CCCCC1 ZINC001574499803 950302350 /nfs/dbraw/zinc/30/23/50/950302350.db2.gz XGNZWLNYCXYCHR-GXTWGEPZSA-N -1 1 388.476 1.152 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1)C1CCCCC1 ZINC001574499803 950302372 /nfs/dbraw/zinc/30/23/72/950302372.db2.gz XGNZWLNYCXYCHR-GXTWGEPZSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@]1(C)CCCOC1 ZINC001574159323 950302659 /nfs/dbraw/zinc/30/26/59/950302659.db2.gz WILUKWWGUUGWAU-ACJLOTCBSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@]1(C)CCCOC1 ZINC001574159323 950302683 /nfs/dbraw/zinc/30/26/83/950302683.db2.gz WILUKWWGUUGWAU-ACJLOTCBSA-N -1 1 388.476 1.416 20 0 GDADMM O=C([O-])CC[C@@H]1CCCCN1C(=O)CNC(=O)c1c[nH]c2ccccc2c1=O ZINC000263163950 950305762 /nfs/dbraw/zinc/30/57/62/950305762.db2.gz PEAIPQBTNLAQDJ-ZDUSSCGKSA-N -1 1 385.420 1.916 20 0 GDADMM C[C@@H](CC(=O)NCC1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C1CC1 ZINC001574500009 950306564 /nfs/dbraw/zinc/30/65/64/950306564.db2.gz XTURHAGQDXZKBO-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](CC(=O)NCC1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C1CC1 ZINC001574500009 950306584 /nfs/dbraw/zinc/30/65/84/950306584.db2.gz XTURHAGQDXZKBO-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C[C@](C)(O)C1CC1 ZINC001574159689 950310651 /nfs/dbraw/zinc/31/06/51/950310651.db2.gz XZVYGOLPTAVRCZ-ACJLOTCBSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@](C)(O)C1CC1 ZINC001574159689 950310672 /nfs/dbraw/zinc/31/06/72/950310672.db2.gz XZVYGOLPTAVRCZ-ACJLOTCBSA-N -1 1 388.476 1.151 20 0 GDADMM CC1(C(=O)NCC[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CCCCC1 ZINC001575593408 950312800 /nfs/dbraw/zinc/31/28/00/950312800.db2.gz NRVXLOYTAJRBOF-CQSZACIVSA-N -1 1 384.488 1.960 20 0 GDADMM CC1(C(=O)NCC[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CCCCC1 ZINC001575593408 950312828 /nfs/dbraw/zinc/31/28/28/950312828.db2.gz NRVXLOYTAJRBOF-CQSZACIVSA-N -1 1 384.488 1.960 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CC[C@H]1CCCO1 ZINC001574159882 950320970 /nfs/dbraw/zinc/32/09/70/950320970.db2.gz ZBPJGFLWRZDTPP-ZIAGYGMSSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CC[C@H]1CCCO1 ZINC001574159882 950320992 /nfs/dbraw/zinc/32/09/92/950320992.db2.gz ZBPJGFLWRZDTPP-ZIAGYGMSSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cscn2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576193946 950322297 /nfs/dbraw/zinc/32/22/97/950322297.db2.gz WSLALRSSCNICJQ-MNOVXSKESA-N -1 1 385.457 1.324 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cscn2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576193946 950322320 /nfs/dbraw/zinc/32/23/20/950322320.db2.gz WSLALRSSCNICJQ-MNOVXSKESA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001574501290 950326596 /nfs/dbraw/zinc/32/65/96/950326596.db2.gz CPLQJXAIKPOAHC-ZJUUUORDSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001574501290 950326619 /nfs/dbraw/zinc/32/66/19/950326619.db2.gz CPLQJXAIKPOAHC-ZJUUUORDSA-N -1 1 384.366 1.188 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccccc1O ZINC001574160058 950326847 /nfs/dbraw/zinc/32/68/47/950326847.db2.gz KOVAZGQBYCBRON-LBPRGKRZSA-N -1 1 382.428 1.619 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccccc1O ZINC001574160058 950326870 /nfs/dbraw/zinc/32/68/70/950326870.db2.gz KOVAZGQBYCBRON-LBPRGKRZSA-N -1 1 382.428 1.619 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001574501316 950333788 /nfs/dbraw/zinc/33/37/88/950333788.db2.gz CXQVWIUPAFNQSC-STQMWFEESA-N -1 1 382.428 1.386 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001574501316 950333810 /nfs/dbraw/zinc/33/38/10/950333810.db2.gz CXQVWIUPAFNQSC-STQMWFEESA-N -1 1 382.428 1.386 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1)c1ccco1 ZINC001574501688 950343357 /nfs/dbraw/zinc/34/33/57/950343357.db2.gz GGZOVDMGFFYHBX-OLZOCXBDSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1)c1ccco1 ZINC001574501688 950343378 /nfs/dbraw/zinc/34/33/78/950343378.db2.gz GGZOVDMGFFYHBX-OLZOCXBDSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC001574501927 950346139 /nfs/dbraw/zinc/34/61/39/950346139.db2.gz HOCZNBYTNWXJDV-GOEBONIOSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC001574501927 950346157 /nfs/dbraw/zinc/34/61/57/950346157.db2.gz HOCZNBYTNWXJDV-GOEBONIOSA-N -1 1 392.467 1.936 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccc(=O)[nH]c1 ZINC001574161513 950364220 /nfs/dbraw/zinc/36/42/20/950364220.db2.gz VPIAVZVMEJWMDY-GFCCVEGCSA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccc(=O)[nH]c1 ZINC001574161513 950364239 /nfs/dbraw/zinc/36/42/39/950364239.db2.gz VPIAVZVMEJWMDY-GFCCVEGCSA-N -1 1 383.416 1.014 20 0 GDADMM C[C@@]1(C(=O)NCCC2(CNc3ccc(-c4nnn[n-]4)nn3)CC2)CCCOC1 ZINC001575597220 950402220 /nfs/dbraw/zinc/40/22/20/950402220.db2.gz ZBQXOKZBRRFTCL-QGZVFWFLSA-N -1 1 386.460 1.172 20 0 GDADMM C[C@@]1(C(=O)NCCC2(CNc3ccc(-c4nn[n-]n4)nn3)CC2)CCCOC1 ZINC001575597220 950402235 /nfs/dbraw/zinc/40/22/35/950402235.db2.gz ZBQXOKZBRRFTCL-QGZVFWFLSA-N -1 1 386.460 1.172 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574503493 950413428 /nfs/dbraw/zinc/41/34/28/950413428.db2.gz XJMHODPORUOHPI-NXEZZACHSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@]1(C(=O)NC[C@H]2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CCCOC1 ZINC001575597884 950423734 /nfs/dbraw/zinc/42/37/34/950423734.db2.gz YSGAUBJDLINOSS-VEVIJQCQSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@]1(C(=O)NC[C@H]2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CCCOC1 ZINC001575597884 950423747 /nfs/dbraw/zinc/42/37/47/950423747.db2.gz YSGAUBJDLINOSS-VEVIJQCQSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](CC(=O)NCCN(c1nccnc1-c1nnn[n-]1)C1CC1)C(F)(F)F ZINC001574506617 950435472 /nfs/dbraw/zinc/43/54/72/950435472.db2.gz ATKGBBBDPAPADX-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](CC(=O)NCCN(c1nccnc1-c1nn[n-]n1)C1CC1)C(F)(F)F ZINC001574506617 950435481 /nfs/dbraw/zinc/43/54/81/950435481.db2.gz ATKGBBBDPAPADX-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM CC1(C(=O)NCc2ccc(CCNc3ccc(-c4nnn[n-]4)nn3)cc2)CC1 ZINC001575600220 950440709 /nfs/dbraw/zinc/44/07/09/950440709.db2.gz WNKXIRQUYSZIPG-UHFFFAOYSA-N -1 1 378.440 1.728 20 0 GDADMM CC1(C(=O)NCc2ccc(CCNc3ccc(-c4nn[n-]n4)nn3)cc2)CC1 ZINC001575600220 950440724 /nfs/dbraw/zinc/44/07/24/950440724.db2.gz WNKXIRQUYSZIPG-UHFFFAOYSA-N -1 1 378.440 1.728 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc(Cl)cs1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574750752 950446031 /nfs/dbraw/zinc/44/60/31/950446031.db2.gz HDYKUHZVGBGJNG-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc(Cl)cs1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574750752 950446049 /nfs/dbraw/zinc/44/60/49/950446049.db2.gz HDYKUHZVGBGJNG-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM CC(C)CC1(C(=O)NCC2CC(Nc3ccnc(-c4nn[n-]n4)n3)C2)CCC1 ZINC001574165530 950451321 /nfs/dbraw/zinc/45/13/21/950451321.db2.gz GKTDKAFNEOMLRI-UHFFFAOYSA-N -1 1 384.488 1.602 20 0 GDADMM CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)NCc2nc(-c3nnn[n-]3)cs2)C1 ZINC001573862474 950463793 /nfs/dbraw/zinc/46/37/93/950463793.db2.gz RYEKYBSMPRIMRI-DTORHVGOSA-N -1 1 379.446 1.243 20 0 GDADMM CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)NCc2nc(-c3nn[n-]n3)cs2)C1 ZINC001573862474 950463805 /nfs/dbraw/zinc/46/38/05/950463805.db2.gz RYEKYBSMPRIMRI-DTORHVGOSA-N -1 1 379.446 1.243 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)[C@@H]1CCCO1 ZINC001574508486 950482724 /nfs/dbraw/zinc/48/27/24/950482724.db2.gz PBNHXAYOUJOWIG-CXTNEJHOSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)[C@@H]1CCCO1 ZINC001574508486 950482739 /nfs/dbraw/zinc/48/27/39/950482739.db2.gz PBNHXAYOUJOWIG-CXTNEJHOSA-N -1 1 386.460 1.169 20 0 GDADMM CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nnn[n-]3)cn2)CCCCC1 ZINC001575605850 950487730 /nfs/dbraw/zinc/48/77/30/950487730.db2.gz XEXOHVMWBYKPII-NFAWXSAZSA-N -1 1 382.472 1.853 20 0 GDADMM CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nn[n-]n3)cn2)CCCCC1 ZINC001575605850 950487744 /nfs/dbraw/zinc/48/77/44/950487744.db2.gz XEXOHVMWBYKPII-NFAWXSAZSA-N -1 1 382.472 1.853 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@H](C)c1cccc(F)c1 ZINC001574509176 950499036 /nfs/dbraw/zinc/49/90/36/950499036.db2.gz RRMCQVVYPGPOMZ-RYUDHWBXSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@H](C)c1cccc(F)c1 ZINC001574509176 950499043 /nfs/dbraw/zinc/49/90/43/950499043.db2.gz RRMCQVVYPGPOMZ-RYUDHWBXSA-N -1 1 384.419 1.906 20 0 GDADMM CC(C)(C)OCC(=O)N1CCCCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573866492 950504514 /nfs/dbraw/zinc/50/45/14/950504514.db2.gz DVTXROAGVKKGHM-ZDUSSCGKSA-N -1 1 388.476 1.655 20 0 GDADMM CC(C)(C)OCC(=O)N1CCCCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573866492 950504527 /nfs/dbraw/zinc/50/45/27/950504527.db2.gz DVTXROAGVKKGHM-ZDUSSCGKSA-N -1 1 388.476 1.655 20 0 GDADMM CC(C)(C)OCC(=O)N1CC[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573866698 950508997 /nfs/dbraw/zinc/50/89/97/950508997.db2.gz JALAPQZCBIKWHO-QMMMGPOBSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cc(C2CC2)no1 ZINC001575915715 950521192 /nfs/dbraw/zinc/52/11/92/950521192.db2.gz OAEXHDKGWASGNP-MWLCHTKSSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cc(C2CC2)no1 ZINC001575915715 950521209 /nfs/dbraw/zinc/52/12/09/950521209.db2.gz OAEXHDKGWASGNP-MWLCHTKSSA-N -1 1 381.400 1.237 20 0 GDADMM CC(C)(C)OCC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001573867402 950534305 /nfs/dbraw/zinc/53/43/05/950534305.db2.gz YPGUDGIDTDRHCS-KGLIPLIRSA-N -1 1 386.460 1.042 20 0 GDADMM CC(C)(C)OCC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001573867402 950534321 /nfs/dbraw/zinc/53/43/21/950534321.db2.gz YPGUDGIDTDRHCS-KGLIPLIRSA-N -1 1 386.460 1.042 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573868986 950551898 /nfs/dbraw/zinc/55/18/98/950551898.db2.gz ITMGYCHQJLBBSR-CYBMUJFWSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573868986 950551910 /nfs/dbraw/zinc/55/19/10/950551910.db2.gz ITMGYCHQJLBBSR-CYBMUJFWSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCCC[C@H]1Nc1cncc(-c2nnn[n-]2)n1)n1cccn1 ZINC001574511127 950552615 /nfs/dbraw/zinc/55/26/15/950552615.db2.gz GJOATGOVCHVKTO-BFHYXJOUSA-N -1 1 396.459 1.344 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCCC[C@H]1Nc1cncc(-c2nn[n-]n2)n1)n1cccn1 ZINC001574511127 950552627 /nfs/dbraw/zinc/55/26/27/950552627.db2.gz GJOATGOVCHVKTO-BFHYXJOUSA-N -1 1 396.459 1.344 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575615768 950577399 /nfs/dbraw/zinc/57/73/99/950577399.db2.gz GTSYRUMQDZAIPN-LBPRGKRZSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575615768 950577417 /nfs/dbraw/zinc/57/74/17/950577417.db2.gz GTSYRUMQDZAIPN-LBPRGKRZSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)CCC(=O)N1CCC[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001574173641 950596174 /nfs/dbraw/zinc/59/61/74/950596174.db2.gz KOFWXGFIWONGAZ-LJQANCHMSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)CCC(=O)N1CCC[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001574173641 950596187 /nfs/dbraw/zinc/59/61/87/950596187.db2.gz KOFWXGFIWONGAZ-LJQANCHMSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccc(C(F)F)o1 ZINC001575918647 950600933 /nfs/dbraw/zinc/60/09/33/950600933.db2.gz DLUDDQXURWTKML-BDAKNGLRSA-N -1 1 390.354 1.902 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccc(C(F)F)o1 ZINC001575918647 950600950 /nfs/dbraw/zinc/60/09/50/950600950.db2.gz DLUDDQXURWTKML-BDAKNGLRSA-N -1 1 390.354 1.902 20 0 GDADMM CC1(C)C(C(=O)NCC2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1(C)C ZINC001575618219 950607065 /nfs/dbraw/zinc/60/70/65/950607065.db2.gz IHRMJUMGHBCBLF-UHFFFAOYSA-N -1 1 384.488 1.672 20 0 GDADMM CC1(C)C(C(=O)NCC2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1(C)C ZINC001575618219 950607072 /nfs/dbraw/zinc/60/70/72/950607072.db2.gz IHRMJUMGHBCBLF-UHFFFAOYSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001574513495 950607620 /nfs/dbraw/zinc/60/76/20/950607620.db2.gz QYJLZCGFDQFOLD-KGLIPLIRSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001574513495 950607639 /nfs/dbraw/zinc/60/76/39/950607639.db2.gz QYJLZCGFDQFOLD-KGLIPLIRSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C)c1ccccc1 ZINC001574513518 950609601 /nfs/dbraw/zinc/60/96/01/950609601.db2.gz RVUFNKKJVXVUMN-FMKPAKJESA-N -1 1 392.467 1.934 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C)c1ccccc1 ZINC001574513518 950609615 /nfs/dbraw/zinc/60/96/15/950609615.db2.gz RVUFNKKJVXVUMN-FMKPAKJESA-N -1 1 392.467 1.934 20 0 GDADMM CC1(C)C(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)CC2)C1(C)C ZINC001575619862 950623937 /nfs/dbraw/zinc/62/39/37/950623937.db2.gz RJIDXWIIAKHAPS-GFCCVEGCSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)CC2)C1(C)C ZINC001575619862 950623945 /nfs/dbraw/zinc/62/39/45/950623945.db2.gz RJIDXWIIAKHAPS-GFCCVEGCSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)[C@@H]1CCCO1 ZINC001574515720 950631475 /nfs/dbraw/zinc/63/14/75/950631475.db2.gz GANMWSJMZIELAM-BHPKHCPMSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)[C@@H]1CCCO1 ZINC001574515720 950631486 /nfs/dbraw/zinc/63/14/86/950631486.db2.gz GANMWSJMZIELAM-BHPKHCPMSA-N -1 1 386.460 1.169 20 0 GDADMM CC(C)CCC(=O)N1CCC[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)CC[C@@H]21 ZINC001574174638 950641143 /nfs/dbraw/zinc/64/11/43/950641143.db2.gz UKMMINMXBUHEPA-ZBFHGGJFSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CCC(=O)N1CCC[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)CC[C@@H]21 ZINC001574174638 950641160 /nfs/dbraw/zinc/64/11/60/950641160.db2.gz UKMMINMXBUHEPA-ZBFHGGJFSA-N -1 1 384.488 1.910 20 0 GDADMM CC1(C)C2CCC1(C(=O)N[C@H]1C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C1)CC2 ZINC001575622623 950644402 /nfs/dbraw/zinc/64/44/02/950644402.db2.gz FKQTYOXGFBTJIQ-ZCXICMAXSA-N -1 1 382.472 1.354 20 0 GDADMM C[C@@H](CNC(=O)c1cc2c(o1)CCCC2)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575001885 950645012 /nfs/dbraw/zinc/64/50/12/950645012.db2.gz OBEKWZNWLZONOV-NSHDSACASA-N -1 1 382.428 1.383 20 0 GDADMM C[C@@H](CNC(=O)c1cc2c(o1)CCCC2)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575001885 950645024 /nfs/dbraw/zinc/64/50/24/950645024.db2.gz OBEKWZNWLZONOV-NSHDSACASA-N -1 1 382.428 1.383 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)ccc1Cl)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575001873 950646846 /nfs/dbraw/zinc/64/68/46/950646846.db2.gz NUBNNUXRKPPTJW-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)ccc1Cl)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575001873 950646859 /nfs/dbraw/zinc/64/68/59/950646859.db2.gz NUBNNUXRKPPTJW-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1ccco1 ZINC001574518241 950650426 /nfs/dbraw/zinc/65/04/26/950650426.db2.gz MUWJCPIKSRVFMO-AVGNSLFASA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574518241 950650440 /nfs/dbraw/zinc/65/04/40/950650440.db2.gz MUWJCPIKSRVFMO-AVGNSLFASA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)c1ccccc1 ZINC001574519056 950667419 /nfs/dbraw/zinc/66/74/19/950667419.db2.gz ATKVPOKLHAWQQV-IBWPGLOJSA-N -1 1 390.451 1.401 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)c1ccccc1 ZINC001574519056 950667439 /nfs/dbraw/zinc/66/74/39/950667439.db2.gz ATKVPOKLHAWQQV-IBWPGLOJSA-N -1 1 390.451 1.401 20 0 GDADMM CC1(C)CC(C(=O)N2CC[C@@]3(CCN(c4ccnc(-c5nn[n-]n5)n4)C3)C2)C1 ZINC001575624646 950671620 /nfs/dbraw/zinc/67/16/20/950671620.db2.gz LRCNCKUNJXPPIZ-LJQANCHMSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)cc(Cl)c1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575002856 950672092 /nfs/dbraw/zinc/67/20/92/950672092.db2.gz XQISLCRUMGDVGQ-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)cc(Cl)c1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575002856 950672107 /nfs/dbraw/zinc/67/21/07/950672107.db2.gz XQISLCRUMGDVGQ-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573876359 950672450 /nfs/dbraw/zinc/67/24/50/950672450.db2.gz MLYWEOANFHUQMZ-BFHYXJOUSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573876359 950672461 /nfs/dbraw/zinc/67/24/61/950672461.db2.gz MLYWEOANFHUQMZ-BFHYXJOUSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)cc(Cl)c1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575003240 950675300 /nfs/dbraw/zinc/67/53/00/950675300.db2.gz ZUPYTWGCSJCKSX-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)cc(Cl)c1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575003240 950675312 /nfs/dbraw/zinc/67/53/12/950675312.db2.gz ZUPYTWGCSJCKSX-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1ccccn1 ZINC001575924975 950675277 /nfs/dbraw/zinc/67/52/77/950675277.db2.gz GFMBETIOCYSZIS-JSGCOSHPSA-N -1 1 379.428 1.086 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1ccccn1 ZINC001575924975 950675288 /nfs/dbraw/zinc/67/52/88/950675288.db2.gz GFMBETIOCYSZIS-JSGCOSHPSA-N -1 1 379.428 1.086 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccncc1 ZINC001574519378 950676370 /nfs/dbraw/zinc/67/63/70/950676370.db2.gz UHJJKWNPGBLBIB-FPMFFAJLSA-N -1 1 379.428 1.305 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccncc1 ZINC001574519378 950676393 /nfs/dbraw/zinc/67/63/93/950676393.db2.gz UHJJKWNPGBLBIB-FPMFFAJLSA-N -1 1 379.428 1.305 20 0 GDADMM C[C@@H](CNC(=O)c1cc[nH]c(=O)c1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001575005384 950680656 /nfs/dbraw/zinc/68/06/56/950680656.db2.gz CRBPNFLTGCGJSV-LURJTMIESA-N -1 1 380.821 1.308 20 0 GDADMM C[C@@H](CNC(=O)c1cc[nH]c(=O)c1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575005384 950680667 /nfs/dbraw/zinc/68/06/67/950680667.db2.gz CRBPNFLTGCGJSV-LURJTMIESA-N -1 1 380.821 1.308 20 0 GDADMM C[C@H](CNC(=O)c1cc2n(c1)CCCC2)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575005552 950688686 /nfs/dbraw/zinc/68/86/86/950688686.db2.gz HQNYQPPJPUIXDC-GFCCVEGCSA-N -1 1 381.444 1.049 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CC(C1CC1)C1CC1 ZINC001575925682 950689485 /nfs/dbraw/zinc/68/94/85/950689485.db2.gz HXEXAONMXDPEEI-XHDPSFHLSA-N -1 1 382.472 1.884 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CC(C1CC1)C1CC1 ZINC001575925682 950689493 /nfs/dbraw/zinc/68/94/93/950689493.db2.gz HXEXAONMXDPEEI-XHDPSFHLSA-N -1 1 382.472 1.884 20 0 GDADMM CC(C)CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001574179259 950699871 /nfs/dbraw/zinc/69/98/71/950699871.db2.gz GGQRCXMOUXBHSZ-QDMKHBRRSA-N -1 1 384.488 1.957 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NCC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573878466 950708198 /nfs/dbraw/zinc/70/81/98/950708198.db2.gz PXQLVOBSCMPOGH-MGPQQGTHSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccoc1C1CC1 ZINC001575926642 950718390 /nfs/dbraw/zinc/71/83/90/950718390.db2.gz KVNFBEBOSMWQKM-GXFFZTMASA-N -1 1 380.412 1.842 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccoc1C1CC1 ZINC001575926642 950718407 /nfs/dbraw/zinc/71/84/07/950718407.db2.gz KVNFBEBOSMWQKM-GXFFZTMASA-N -1 1 380.412 1.842 20 0 GDADMM C[C@H](CN(C)C(=O)c1cncn1C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574763677 950727475 /nfs/dbraw/zinc/72/74/75/950727475.db2.gz HZDGKOXWWGSGHN-SSDOTTSWSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@H](CN(C)C(=O)c1cncn1C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574763677 950727488 /nfs/dbraw/zinc/72/74/88/950727488.db2.gz HZDGKOXWWGSGHN-SSDOTTSWSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CC(C1CC1)C1CC1 ZINC001575927094 950734264 /nfs/dbraw/zinc/73/42/64/950734264.db2.gz NHYAJVOHQKCMOE-ABAIWWIYSA-N -1 1 382.472 1.884 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CC(C1CC1)C1CC1 ZINC001575927094 950734286 /nfs/dbraw/zinc/73/42/86/950734286.db2.gz NHYAJVOHQKCMOE-ABAIWWIYSA-N -1 1 382.472 1.884 20 0 GDADMM CC1(C)CC(C(=O)N[C@]23CCC[C@@H]2N(c2cnc(-c4nnn[n-]4)cn2)CC3)C1 ZINC001575630008 950756772 /nfs/dbraw/zinc/75/67/72/950756772.db2.gz YCWJULGTQIUFQT-LIRRHRJNSA-N -1 1 382.472 1.711 20 0 GDADMM CC1(C)CC(C(=O)N[C@]23CCC[C@@H]2N(c2cnc(-c4nn[n-]n4)cn2)CC3)C1 ZINC001575630008 950756784 /nfs/dbraw/zinc/75/67/84/950756784.db2.gz YCWJULGTQIUFQT-LIRRHRJNSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H](CN(C)C(=O)c1cnc2ccccc2n1)Nc1nccnc1-c1nnn[n-]1 ZINC001574764686 950757132 /nfs/dbraw/zinc/75/71/32/950757132.db2.gz WIOGHCBSOBRCBO-LLVKDONJSA-N -1 1 390.411 1.173 20 0 GDADMM C[C@H](CN(C)C(=O)c1cnc2ccccc2n1)Nc1nccnc1-c1nn[n-]n1 ZINC001574764686 950757147 /nfs/dbraw/zinc/75/71/47/950757147.db2.gz WIOGHCBSOBRCBO-LLVKDONJSA-N -1 1 390.411 1.173 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576217498 950763156 /nfs/dbraw/zinc/76/31/56/950763156.db2.gz IFZYPXIVABIVKM-QWRGUYRKSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576217498 950763183 /nfs/dbraw/zinc/76/31/83/950763183.db2.gz IFZYPXIVABIVKM-QWRGUYRKSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C2CC2)CC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576217863 950772789 /nfs/dbraw/zinc/77/27/89/950772789.db2.gz JVDOTKUKBICAOZ-STQMWFEESA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C2CC2)CC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576217863 950772797 /nfs/dbraw/zinc/77/27/97/950772797.db2.gz JVDOTKUKBICAOZ-STQMWFEESA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H](CN(C)C(=O)c1scnc1C1CC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574765241 950781894 /nfs/dbraw/zinc/78/18/94/950781894.db2.gz ASKBJOCHKOSWAD-VIFPVBQESA-N -1 1 385.457 1.563 20 0 GDADMM C[C@@H](CN(C)C(=O)c1scnc1C1CC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574765241 950781905 /nfs/dbraw/zinc/78/19/05/950781905.db2.gz ASKBJOCHKOSWAD-VIFPVBQESA-N -1 1 385.457 1.563 20 0 GDADMM CC1(C)CC(C(=O)N[C@@H]2CN(c3nc(Cl)c(-c4nnn[n-]4)s3)C[C@@H]2O)C1 ZINC001575632072 950788816 /nfs/dbraw/zinc/78/88/16/950788816.db2.gz ZCSUEOAYSPCBQA-BDAKNGLRSA-N -1 1 397.892 1.079 20 0 GDADMM CC1(C)CC(C(=O)N[C@@H]2CN(c3nc(Cl)c(-c4nn[n-]n4)s3)C[C@@H]2O)C1 ZINC001575632072 950788832 /nfs/dbraw/zinc/78/88/32/950788832.db2.gz ZCSUEOAYSPCBQA-BDAKNGLRSA-N -1 1 397.892 1.079 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccncc1Cl ZINC001575929980 950790973 /nfs/dbraw/zinc/79/09/73/950790973.db2.gz DCHYXSROBYJSIK-CABZTGNLSA-N -1 1 385.819 1.420 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccncc1Cl ZINC001575929980 950790983 /nfs/dbraw/zinc/79/09/83/950790983.db2.gz DCHYXSROBYJSIK-CABZTGNLSA-N -1 1 385.819 1.420 20 0 GDADMM CC1(C)CC(CC(=O)N2CC[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)C1 ZINC001575632302 950794956 /nfs/dbraw/zinc/79/49/56/950794956.db2.gz GWAGXGLVSXKKNM-DZGCQCFKSA-N -1 1 382.472 1.520 20 0 GDADMM CC1(C)CC(CC(=O)N2CC[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)C1 ZINC001575632302 950794967 /nfs/dbraw/zinc/79/49/67/950794967.db2.gz GWAGXGLVSXKKNM-DZGCQCFKSA-N -1 1 382.472 1.520 20 0 GDADMM CC1(C)CC(CC(=O)N2C[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]3C2)C1 ZINC001575632332 950795530 /nfs/dbraw/zinc/79/55/30/950795530.db2.gz HVILRWGNIANVOI-OKILXGFUSA-N -1 1 382.472 1.378 20 0 GDADMM CC1(C)CC(CC(=O)N2C[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]3C2)C1 ZINC001575632332 950795550 /nfs/dbraw/zinc/79/55/50/950795550.db2.gz HVILRWGNIANVOI-OKILXGFUSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H](CN(C)C(=O)c1coc(C(F)F)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574765644 950797156 /nfs/dbraw/zinc/79/71/56/950797156.db2.gz IVNJNNPBZRBYCB-QMMMGPOBSA-N -1 1 378.343 1.760 20 0 GDADMM C[C@@H](CN(C)C(=O)c1coc(C(F)F)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574765644 950797170 /nfs/dbraw/zinc/79/71/70/950797170.db2.gz IVNJNNPBZRBYCB-QMMMGPOBSA-N -1 1 378.343 1.760 20 0 GDADMM C[C@@H]1[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)CCN1C(=O)c1cnccn1 ZINC001575931888 950813724 /nfs/dbraw/zinc/81/37/24/950813724.db2.gz JIAAMAAYGQCWRG-SFYZADRCSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCN1C(=O)c1cnccn1 ZINC001575931888 950813739 /nfs/dbraw/zinc/81/37/39/950813739.db2.gz JIAAMAAYGQCWRG-SFYZADRCSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1CN(C(=O)C(F)=C2CCCC2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576219984 950819342 /nfs/dbraw/zinc/81/93/42/950819342.db2.gz PMHBFTAFJAAJGA-WCQYABFASA-N -1 1 386.435 1.961 20 0 GDADMM C[C@H]1CN(C(=O)C(F)=C2CCCC2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576219984 950819366 /nfs/dbraw/zinc/81/93/66/950819366.db2.gz PMHBFTAFJAAJGA-WCQYABFASA-N -1 1 386.435 1.961 20 0 GDADMM C[C@H]1[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCN1C(=O)c1cnco1 ZINC001575932209 950821579 /nfs/dbraw/zinc/82/15/79/950821579.db2.gz KNHSWHIZLSWEIS-NKWVEPMBSA-N -1 1 380.821 1.680 20 0 GDADMM CC(C)c1ncsc1C(=O)N(C)C[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574766797 950827753 /nfs/dbraw/zinc/82/77/53/950827753.db2.gz KXZQYMOCOMMLEX-SNVBAGLBSA-N -1 1 387.473 1.231 20 0 GDADMM CC(C)CCCC(=O)N1CC[C@H]2[C@H](CCN2c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574188251 950850302 /nfs/dbraw/zinc/85/03/02/950850302.db2.gz VSLONKQXHRGXJH-ZBFHGGJFSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CCCC(=O)N1CC[C@H]2[C@H](CCN2c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574188251 950850326 /nfs/dbraw/zinc/85/03/26/950850326.db2.gz VSLONKQXHRGXJH-ZBFHGGJFSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)c2ccnn2CC(F)(F)F)n1 ZINC001573887863 950854298 /nfs/dbraw/zinc/85/42/98/950854298.db2.gz LJJJQCKOQRNYRO-UHFFFAOYSA-N -1 1 383.338 1.829 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2ccnn2CC(F)(F)F)n1 ZINC001573887863 950854314 /nfs/dbraw/zinc/85/43/14/950854314.db2.gz LJJJQCKOQRNYRO-UHFFFAOYSA-N -1 1 383.338 1.829 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ncoc1C1CC1 ZINC001575934956 950866379 /nfs/dbraw/zinc/86/63/79/950866379.db2.gz UEBXTSZICJKYCC-GXSJLCMTSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ncoc1C1CC1 ZINC001575934956 950866394 /nfs/dbraw/zinc/86/63/94/950866394.db2.gz UEBXTSZICJKYCC-GXSJLCMTSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H](CN(C)C(=O)c1coc(C(F)F)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574767876 950869702 /nfs/dbraw/zinc/86/97/02/950869702.db2.gz UVIJUSZAPPKYIH-QMMMGPOBSA-N -1 1 378.343 1.760 20 0 GDADMM C[C@@H](CN(C)C(=O)c1coc(C(F)F)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574767876 950869711 /nfs/dbraw/zinc/86/97/11/950869711.db2.gz UVIJUSZAPPKYIH-QMMMGPOBSA-N -1 1 378.343 1.760 20 0 GDADMM CC(C)c1nnsc1C(=O)N(C)C[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574768263 950886435 /nfs/dbraw/zinc/88/64/35/950886435.db2.gz SRQBAMJWYBYPRX-SECBINFHSA-N -1 1 388.461 1.204 20 0 GDADMM CC(C)c1nnsc1C(=O)N(C)C[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574768263 950886452 /nfs/dbraw/zinc/88/64/52/950886452.db2.gz SRQBAMJWYBYPRX-SECBINFHSA-N -1 1 388.461 1.204 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)CC(F)(F)C2)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576227544 950915763 /nfs/dbraw/zinc/91/57/63/950915763.db2.gz DQYMWGNXPFISIR-QWRGUYRKSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)CC(F)(F)C2)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576227544 950915781 /nfs/dbraw/zinc/91/57/81/950915781.db2.gz DQYMWGNXPFISIR-QWRGUYRKSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1cscn1 ZINC001575936500 950916114 /nfs/dbraw/zinc/91/61/14/950916114.db2.gz FQLYKQAYOKUMST-ZYHUDNBSSA-N -1 1 385.457 1.147 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1cscn1 ZINC001575936500 950916129 /nfs/dbraw/zinc/91/61/29/950916129.db2.gz FQLYKQAYOKUMST-ZYHUDNBSSA-N -1 1 385.457 1.147 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1nc(Cl)cs1 ZINC001575936493 950916800 /nfs/dbraw/zinc/91/68/00/950916800.db2.gz FQIQSFLIDBXAJR-HTQZYQBOSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1nc(Cl)cs1 ZINC001575936493 950916812 /nfs/dbraw/zinc/91/68/12/950916812.db2.gz FQIQSFLIDBXAJR-HTQZYQBOSA-N -1 1 391.848 1.482 20 0 GDADMM CC(C)(C)n1cc(CNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)c(=O)[nH]c1=O ZINC001573894123 950922644 /nfs/dbraw/zinc/92/26/44/950922644.db2.gz MSURMUTZNISZAL-UHFFFAOYSA-N -1 1 383.416 1.164 20 0 GDADMM CC(C)(C)n1cc(CNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)c(=O)[nH]c1=O ZINC001573894123 950922665 /nfs/dbraw/zinc/92/26/65/950922665.db2.gz MSURMUTZNISZAL-UHFFFAOYSA-N -1 1 383.416 1.164 20 0 GDADMM CC(C)(CC(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001573895621 950941528 /nfs/dbraw/zinc/94/15/28/950941528.db2.gz DPLAJVCETHLGMH-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)(CC(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001573895621 950941551 /nfs/dbraw/zinc/94/15/51/950941551.db2.gz DPLAJVCETHLGMH-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)(CC(=O)NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001573896812 950951908 /nfs/dbraw/zinc/95/19/08/950951908.db2.gz KJTSDLBQMXCOIA-UHFFFAOYSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H]1C[C@@H](C(=O)N(C)CC(C)(C)CNc2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001575937796 950961938 /nfs/dbraw/zinc/96/19/38/950961938.db2.gz HDDWQPKJFAMPIR-STQMWFEESA-N -1 1 388.476 1.368 20 0 GDADMM C[C@H]1C[C@@H](C(=O)N(C)CC(C)(C)CNc2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001575937796 950961953 /nfs/dbraw/zinc/96/19/53/950961953.db2.gz HDDWQPKJFAMPIR-STQMWFEESA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)(CC(=O)N[C@@](C)(CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)C1CC1 ZINC001573898322 950975891 /nfs/dbraw/zinc/97/58/91/950975891.db2.gz YUPGERRCNHIRAJ-IBGZPJMESA-N -1 1 384.488 1.602 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1csc(Cl)n1 ZINC001575938463 950983480 /nfs/dbraw/zinc/98/34/80/950983480.db2.gz NTPUTAITZOOZNM-SFYZADRCSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1csc(Cl)n1 ZINC001575938463 950983496 /nfs/dbraw/zinc/98/34/96/950983496.db2.gz NTPUTAITZOOZNM-SFYZADRCSA-N -1 1 391.848 1.482 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573900220 950998699 /nfs/dbraw/zinc/99/86/99/950998699.db2.gz WAIGRIIMSLTPMT-UHFFFAOYSA-N -1 1 384.366 1.696 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573900220 950998709 /nfs/dbraw/zinc/99/87/09/950998709.db2.gz WAIGRIIMSLTPMT-UHFFFAOYSA-N -1 1 384.366 1.696 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573900199 951000666 /nfs/dbraw/zinc/00/06/66/951000666.db2.gz UTLNGJZBBUKZDX-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573900199 951000688 /nfs/dbraw/zinc/00/06/88/951000688.db2.gz UTLNGJZBBUKZDX-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)F)nc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575019507 951041461 /nfs/dbraw/zinc/04/14/61/951041461.db2.gz UABMCAXJAPCFMO-QMMMGPOBSA-N -1 1 375.343 1.220 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)F)nc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575019507 951041471 /nfs/dbraw/zinc/04/14/71/951041471.db2.gz UABMCAXJAPCFMO-QMMMGPOBSA-N -1 1 375.343 1.220 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)COC2)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575024363 951101641 /nfs/dbraw/zinc/10/16/41/951101641.db2.gz BXPOPXYIIUWMAJ-LLVKDONJSA-N -1 1 380.412 1.165 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)COC2)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575024363 951101650 /nfs/dbraw/zinc/10/16/50/951101650.db2.gz BXPOPXYIIUWMAJ-LLVKDONJSA-N -1 1 380.412 1.165 20 0 GDADMM C[C@H](CNC(=O)c1ccc2cc[nH]c2n1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575024463 951105347 /nfs/dbraw/zinc/10/53/47/951105347.db2.gz FENQFWNRAGGMMA-JTQLQIEISA-N -1 1 378.400 1.011 20 0 GDADMM C[C@H](CNC(=O)c1ccc2cc[nH]c2n1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575024463 951105354 /nfs/dbraw/zinc/10/53/54/951105354.db2.gz FENQFWNRAGGMMA-JTQLQIEISA-N -1 1 378.400 1.011 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)cc1Cl)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575024694 951112967 /nfs/dbraw/zinc/11/29/67/951112967.db2.gz KVVVINOTFNDOPC-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)cc1Cl)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575024694 951112976 /nfs/dbraw/zinc/11/29/76/951112976.db2.gz KVVVINOTFNDOPC-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)cc1Cl)Nc1nccnc1-c1nnn[n-]1 ZINC001575024938 951120089 /nfs/dbraw/zinc/12/00/89/951120089.db2.gz QEKFTCMIHSJAAE-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)cc1Cl)Nc1nccnc1-c1nn[n-]n1 ZINC001575024938 951120093 /nfs/dbraw/zinc/12/00/93/951120093.db2.gz QEKFTCMIHSJAAE-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)cc1Cl)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575024980 951120868 /nfs/dbraw/zinc/12/08/68/951120868.db2.gz QYDHHWYNHBIOAV-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)cc1Cl)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575024980 951120874 /nfs/dbraw/zinc/12/08/74/951120874.db2.gz QYDHHWYNHBIOAV-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCC2)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575025056 951123248 /nfs/dbraw/zinc/12/32/48/951123248.db2.gz SZPFVVNPFDNHKV-LBPRGKRZSA-N -1 1 378.440 1.400 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCC2)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575025056 951123255 /nfs/dbraw/zinc/12/32/55/951123255.db2.gz SZPFVVNPFDNHKV-LBPRGKRZSA-N -1 1 378.440 1.400 20 0 GDADMM C[C@H](CNC(=O)c1ccc2ccccc2n1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575026243 951141345 /nfs/dbraw/zinc/14/13/45/951141345.db2.gz HNBNRIOFFINGKS-LBPRGKRZSA-N -1 1 389.423 1.683 20 0 GDADMM C[C@H](CNC(=O)c1ccc2ccccc2n1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575026243 951141350 /nfs/dbraw/zinc/14/13/50/951141350.db2.gz HNBNRIOFFINGKS-LBPRGKRZSA-N -1 1 389.423 1.683 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(F)c1Cl)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575026679 951145314 /nfs/dbraw/zinc/14/53/14/951145314.db2.gz MBGBZXDTJWNDKI-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(F)c1Cl)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575026679 951145320 /nfs/dbraw/zinc/14/53/20/951145320.db2.gz MBGBZXDTJWNDKI-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM C[C@H](CNC(=O)c1cccc2ncccc21)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575027587 951160204 /nfs/dbraw/zinc/16/02/04/951160204.db2.gz GPBJEFDNKQSTLS-LBPRGKRZSA-N -1 1 389.423 1.683 20 0 GDADMM C[C@H](CNC(=O)c1cccc2ncccc21)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575027587 951160209 /nfs/dbraw/zinc/16/02/09/951160209.db2.gz GPBJEFDNKQSTLS-LBPRGKRZSA-N -1 1 389.423 1.683 20 0 GDADMM C[C@H](CNC(=O)c1cccnc1C(F)F)Nc1nccnc1-c1nnn[n-]1 ZINC001575031584 951198766 /nfs/dbraw/zinc/19/87/66/951198766.db2.gz DVGTTZYZZUBSSO-MRVPVSSYSA-N -1 1 375.343 1.220 20 0 GDADMM C[C@H](CNC(=O)c1cccnc1C(F)F)Nc1nccnc1-c1nn[n-]n1 ZINC001575031584 951198774 /nfs/dbraw/zinc/19/87/74/951198774.db2.gz DVGTTZYZZUBSSO-MRVPVSSYSA-N -1 1 375.343 1.220 20 0 GDADMM CC(C)Oc1ccccc1C(=O)NC[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575031674 951201954 /nfs/dbraw/zinc/20/19/54/951201954.db2.gz GOMPTHLSXQXIDF-GFCCVEGCSA-N -1 1 382.428 1.674 20 0 GDADMM CC(C)Oc1ccccc1C(=O)NC[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575031674 951201965 /nfs/dbraw/zinc/20/19/65/951201965.db2.gz GOMPTHLSXQXIDF-GFCCVEGCSA-N -1 1 382.428 1.674 20 0 GDADMM C[C@H](CNC(=O)c1ccnn1C1CCC1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575034164 951237523 /nfs/dbraw/zinc/23/75/23/951237523.db2.gz ITHQSDXALHHLOD-NSHDSACASA-N -1 1 382.432 1.056 20 0 GDADMM C[C@H](CNC(=O)c1ccnn1C1CCC1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575034164 951237537 /nfs/dbraw/zinc/23/75/37/951237537.db2.gz ITHQSDXALHHLOD-NSHDSACASA-N -1 1 382.432 1.056 20 0 GDADMM C[C@H](CNC(=O)c1ccn(C(C)(C)C)n1)CNc1nccnc1-c1nnn[n-]1 ZINC001575034490 951250692 /nfs/dbraw/zinc/25/06/92/951250692.db2.gz BTRXPNCDHPJAIC-NSHDSACASA-N -1 1 384.448 1.086 20 0 GDADMM C[C@H](CNC(=O)c1ccn(C(C)(C)C)n1)CNc1nccnc1-c1nn[n-]n1 ZINC001575034490 951250700 /nfs/dbraw/zinc/25/07/00/951250700.db2.gz BTRXPNCDHPJAIC-NSHDSACASA-N -1 1 384.448 1.086 20 0 GDADMM C[C@H](CNC(=O)c1cnc2ccccc2c1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575044816 951419919 /nfs/dbraw/zinc/41/99/19/951419919.db2.gz VQNVMINTXACOGP-GFCCVEGCSA-N -1 1 389.423 1.460 20 0 GDADMM C[C@H](CNC(=O)c1cnc2ccccc2c1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575044816 951419927 /nfs/dbraw/zinc/41/99/27/951419927.db2.gz VQNVMINTXACOGP-GFCCVEGCSA-N -1 1 389.423 1.460 20 0 GDADMM CC(C)Oc1cncc(C(=O)NC[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)c1 ZINC001575046422 951440891 /nfs/dbraw/zinc/44/08/91/951440891.db2.gz NXWYFAYJNSWJOJ-NSHDSACASA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1cncc(C(=O)NC[C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)c1 ZINC001575046422 951440899 /nfs/dbraw/zinc/44/08/99/951440899.db2.gz NXWYFAYJNSWJOJ-NSHDSACASA-N -1 1 383.416 1.069 20 0 GDADMM C[C@H](CNC(=O)c1cnn(C)c1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575052794 951470572 /nfs/dbraw/zinc/47/05/72/951470572.db2.gz OJLIOUIHPSJIGE-SSDOTTSWSA-N -1 1 381.853 1.188 20 0 GDADMM C[C@H](CNC(=O)c1cnn(C)c1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575052794 951470575 /nfs/dbraw/zinc/47/05/75/951470575.db2.gz OJLIOUIHPSJIGE-SSDOTTSWSA-N -1 1 381.853 1.188 20 0 GDADMM C[C@@H](CNC(=O)c1cnsn1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575053422 951479050 /nfs/dbraw/zinc/47/90/50/951479050.db2.gz CLBXUZWTTDSEGQ-YFKPBYRVSA-N -1 1 385.866 1.306 20 0 GDADMM C[C@@H](CNC(=O)c1cnsn1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575053422 951479056 /nfs/dbraw/zinc/47/90/56/951479056.db2.gz CLBXUZWTTDSEGQ-YFKPBYRVSA-N -1 1 385.866 1.306 20 0 GDADMM C[C@H](CNC(=O)c1coc(C(F)F)c1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575057724 951530847 /nfs/dbraw/zinc/53/08/47/951530847.db2.gz PVXRQLYJNDIYJQ-MRVPVSSYSA-N -1 1 378.343 1.442 20 0 GDADMM C[C@H](CNC(=O)c1cscc1Cl)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575060589 951542957 /nfs/dbraw/zinc/54/29/57/951542957.db2.gz AKFQKJDSKSZQKE-QMMMGPOBSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@H](CNC(=O)c1cscc1Cl)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575060589 951542970 /nfs/dbraw/zinc/54/29/70/951542970.db2.gz AKFQKJDSKSZQKE-QMMMGPOBSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@@H](CNC(=O)c1[nH]nc2ccccc21)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575060729 951547987 /nfs/dbraw/zinc/54/79/87/951547987.db2.gz FATOCEYJZUDVJR-SNVBAGLBSA-N -1 1 378.400 1.011 20 0 GDADMM C[C@@H](CNC(=O)c1ncccc1F)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001575066639 951600243 /nfs/dbraw/zinc/60/02/43/951600243.db2.gz HPNXTYPBYRAJNT-LURJTMIESA-N -1 1 382.812 1.741 20 0 GDADMM C[C@@H](CNC(=O)c1ncccc1F)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575066639 951600246 /nfs/dbraw/zinc/60/02/46/951600246.db2.gz HPNXTYPBYRAJNT-LURJTMIESA-N -1 1 382.812 1.741 20 0 GDADMM C[C@@H](CNC(=O)c1sccc1Cl)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575069290 951642164 /nfs/dbraw/zinc/64/21/64/951642164.db2.gz HRZBFNLXCIYVLP-MRVPVSSYSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@@H](CNC(=O)c1sccc1Cl)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575069290 951642170 /nfs/dbraw/zinc/64/21/70/951642170.db2.gz HRZBFNLXCIYVLP-MRVPVSSYSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@@H](CNC(=O)c1sccc1Cl)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575070584 951652119 /nfs/dbraw/zinc/65/21/19/951652119.db2.gz RXEXCIOPRHFNBD-MRVPVSSYSA-N -1 1 378.849 1.272 20 0 GDADMM CC(C)c1ncsc1C(=O)NC[C@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001575071298 951659169 /nfs/dbraw/zinc/65/91/69/951659169.db2.gz ZJLBLQRYNQYFTR-SNVBAGLBSA-N -1 1 387.473 1.715 20 0 GDADMM CC(C)c1ncsc1C(=O)NC[C@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001575071298 951659172 /nfs/dbraw/zinc/65/91/72/951659172.db2.gz ZJLBLQRYNQYFTR-SNVBAGLBSA-N -1 1 387.473 1.715 20 0 GDADMM O=C([O-])CNC(=O)CN1CCC([C@@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1 ZINC001595097486 951833461 /nfs/dbraw/zinc/83/34/61/951833461.db2.gz NBCQHXUGPUGTLQ-DLBZAZTESA-N -1 1 389.452 1.214 20 0 GDADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)[C@@H]1Cc2ccccc21)C1CC1 ZINC001575123606 952017373 /nfs/dbraw/zinc/01/73/73/952017373.db2.gz BFHAZBAWCCYUHP-QRWLVFNGSA-N -1 1 390.451 1.693 20 0 GDADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)[C@@H]1Cc2ccccc21)C1CC1 ZINC001575123606 952017382 /nfs/dbraw/zinc/01/73/82/952017382.db2.gz BFHAZBAWCCYUHP-QRWLVFNGSA-N -1 1 390.451 1.693 20 0 GDADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)[C@@H]1C[C@H]1C1CCC1)C1CC1 ZINC001575128634 952070053 /nfs/dbraw/zinc/07/00/53/952070053.db2.gz KTJBTHBYNACWDW-IQUTYRLHSA-N -1 1 382.472 1.790 20 0 GDADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)[C@@H]1C[C@H]1C1CCC1)C1CC1 ZINC001575128634 952070059 /nfs/dbraw/zinc/07/00/59/952070059.db2.gz KTJBTHBYNACWDW-IQUTYRLHSA-N -1 1 382.472 1.790 20 0 GDADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)c1cc(Cl)no1)C1CC1 ZINC001575129197 952077121 /nfs/dbraw/zinc/07/71/21/952077121.db2.gz QVQMQDQDRKPNSS-OAHLLOKOSA-N -1 1 389.807 1.309 20 0 GDADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)c1cc(Cl)no1)C1CC1 ZINC001575129197 952077131 /nfs/dbraw/zinc/07/71/31/952077131.db2.gz QVQMQDQDRKPNSS-OAHLLOKOSA-N -1 1 389.807 1.309 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ccc2c(c1)CCO2 ZINC001575136764 952128067 /nfs/dbraw/zinc/12/80/67/952128067.db2.gz WNSQTXAOVNXXNL-NSHDSACASA-N -1 1 380.412 1.164 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ccc2c(c1)CCO2 ZINC001575136764 952128070 /nfs/dbraw/zinc/12/80/70/952128070.db2.gz WNSQTXAOVNXXNL-NSHDSACASA-N -1 1 380.412 1.164 20 0 GDADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)[C@H]1CC12CCCC2)C1CC1 ZINC001575136880 952130007 /nfs/dbraw/zinc/13/00/07/952130007.db2.gz QRBKJDWKMCNUHU-FZKQIMNGSA-N -1 1 382.472 1.356 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H](F)CC1CCCCC1 ZINC001575141433 952144997 /nfs/dbraw/zinc/14/49/97/952144997.db2.gz HGLHSGQSUYWUII-JSGCOSHPSA-N -1 1 390.467 1.646 20 0 GDADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)CCc1ccccc1)C1CC1 ZINC001575143486 952153685 /nfs/dbraw/zinc/15/36/85/952153685.db2.gz QAOFXLSSGHWENH-HXUWFJFHSA-N -1 1 392.467 1.408 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1c(F)cccc1Cl ZINC001575143614 952154595 /nfs/dbraw/zinc/15/45/95/952154595.db2.gz BNMPIKNWQFKFRW-SECBINFHSA-N -1 1 390.810 1.444 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)CC(C)(C)CC(F)F ZINC001575143527 952154774 /nfs/dbraw/zinc/15/47/74/952154774.db2.gz QCPPOJMRTWZEPW-JTQLQIEISA-N -1 1 382.419 1.409 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@]1(C)CCc2ccccc21 ZINC001575143521 952154851 /nfs/dbraw/zinc/15/48/51/952154851.db2.gz QBOGWLHYCXSUEJ-XCLFUZPHSA-N -1 1 392.467 1.242 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001575144208 952163017 /nfs/dbraw/zinc/16/30/17/952163017.db2.gz USUFOIZGBXHVFN-IAMHBRQHSA-N -1 1 392.467 1.315 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C1CCC(F)(F)CC1 ZINC001575144298 952164619 /nfs/dbraw/zinc/16/46/19/952164619.db2.gz UVSMVLDGLPYNSY-JTQLQIEISA-N -1 1 380.403 1.163 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(F)cc(Cl)c1 ZINC001575144475 952168283 /nfs/dbraw/zinc/16/82/83/952168283.db2.gz ISBPDUZXCLMKRI-VIFPVBQESA-N -1 1 390.810 1.444 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1sccc1Cl ZINC001575144865 952173528 /nfs/dbraw/zinc/17/35/28/952173528.db2.gz MVIYYOTWIQMVDC-QMMMGPOBSA-N -1 1 378.849 1.366 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)C1(c2ccccc2)CC1 ZINC001575153448 952209951 /nfs/dbraw/zinc/20/99/51/952209951.db2.gz HMXWRWAIBMDTMI-ZDUSSCGKSA-N -1 1 378.440 1.647 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)C1(c2ccccc2)CC1 ZINC001575153448 952209953 /nfs/dbraw/zinc/20/99/53/952209953.db2.gz HMXWRWAIBMDTMI-ZDUSSCGKSA-N -1 1 378.440 1.647 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)CC[C@H]1CC(C)(C)CO1 ZINC001575154150 952216766 /nfs/dbraw/zinc/21/67/66/952216766.db2.gz OXEJELJIGHBZRD-STQMWFEESA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)CC[C@H]1CC(C)(C)CO1 ZINC001575154150 952216770 /nfs/dbraw/zinc/21/67/70/952216770.db2.gz OXEJELJIGHBZRD-STQMWFEESA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ccsc1Cl ZINC001575154306 952219540 /nfs/dbraw/zinc/21/95/40/952219540.db2.gz ATZADVUTIRCXPQ-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ccsc1Cl ZINC001575154306 952219548 /nfs/dbraw/zinc/21/95/48/952219548.db2.gz ATZADVUTIRCXPQ-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1csc(Cl)c1 ZINC001575154452 952223501 /nfs/dbraw/zinc/22/35/01/952223501.db2.gz DPDVNNUWPAOYNI-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1csc(Cl)c1 ZINC001575154452 952223509 /nfs/dbraw/zinc/22/35/09/952223509.db2.gz DPDVNNUWPAOYNI-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cccnc1C(F)F ZINC001575154622 952227645 /nfs/dbraw/zinc/22/76/45/952227645.db2.gz FZCVKGGHDUZUHW-VIFPVBQESA-N -1 1 389.370 1.562 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cccnc1C(F)F ZINC001575154622 952227653 /nfs/dbraw/zinc/22/76/53/952227653.db2.gz FZCVKGGHDUZUHW-VIFPVBQESA-N -1 1 389.370 1.562 20 0 GDADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C1CC1 ZINC001575156233 952250973 /nfs/dbraw/zinc/25/09/73/952250973.db2.gz RCYOIYXKWABIQH-IKTQFDNCSA-N -1 1 398.471 1.169 20 0 GDADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C1CC1 ZINC001575156233 952250977 /nfs/dbraw/zinc/25/09/77/952250977.db2.gz RCYOIYXKWABIQH-IKTQFDNCSA-N -1 1 398.471 1.169 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)Cc1c(F)cccc1F ZINC001575156696 952257315 /nfs/dbraw/zinc/25/73/15/952257315.db2.gz HNTYKDFCZKCIHI-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)Cc1c(F)cccc1F ZINC001575156696 952257317 /nfs/dbraw/zinc/25/73/17/952257317.db2.gz HNTYKDFCZKCIHI-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)Cc1cc(F)ccc1F ZINC001575158889 952274525 /nfs/dbraw/zinc/27/45/25/952274525.db2.gz XFCOIZMGDUAAPD-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)Cc1cc(F)ccc1F ZINC001575158889 952274531 /nfs/dbraw/zinc/27/45/31/952274531.db2.gz XFCOIZMGDUAAPD-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)[C@H]1CCCCO1 ZINC001575164638 952295815 /nfs/dbraw/zinc/29/58/15/952295815.db2.gz GOHHSOOBZOLCHY-DTWKUNHWSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)[C@H]1CCCCO1 ZINC001575164638 952295820 /nfs/dbraw/zinc/29/58/20/952295820.db2.gz GOHHSOOBZOLCHY-DTWKUNHWSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)c1cnns1 ZINC001575165303 952305579 /nfs/dbraw/zinc/30/55/79/952305579.db2.gz NETSWFHTIBWYIZ-YFKPBYRVSA-N -1 1 385.866 1.401 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)CC1(O)CCC1 ZINC001575165641 952312773 /nfs/dbraw/zinc/31/27/73/952312773.db2.gz QGIBXGRPQWIQKQ-MRVPVSSYSA-N -1 1 385.881 1.541 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)CC1(O)CCC1 ZINC001575165641 952312779 /nfs/dbraw/zinc/31/27/79/952312779.db2.gz QGIBXGRPQWIQKQ-MRVPVSSYSA-N -1 1 385.881 1.541 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)C[C@@H]1CCOC1 ZINC001575166257 952321406 /nfs/dbraw/zinc/32/14/06/952321406.db2.gz UFKQELVXKOWNNN-BDAKNGLRSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)C[C@@H]1CCOC1 ZINC001575166257 952321414 /nfs/dbraw/zinc/32/14/14/952321414.db2.gz UFKQELVXKOWNNN-BDAKNGLRSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@]1(C)CCc2ccccc21 ZINC001575174765 952380137 /nfs/dbraw/zinc/38/01/37/952380137.db2.gz SKTHMHGWBHUYEZ-RNODOKPDSA-N -1 1 392.467 1.820 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@]1(C)CCc2ccccc21 ZINC001575174765 952380143 /nfs/dbraw/zinc/38/01/43/952380143.db2.gz SKTHMHGWBHUYEZ-RNODOKPDSA-N -1 1 392.467 1.820 20 0 GDADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)[C@H]1CCCC12CC2)C1CC1 ZINC001575175588 952386849 /nfs/dbraw/zinc/38/68/49/952386849.db2.gz WYKAZLIUPJSODK-ACJLOTCBSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)[C@H]1CCCC12CC2)C1CC1 ZINC001575175588 952386856 /nfs/dbraw/zinc/38/68/56/952386856.db2.gz WYKAZLIUPJSODK-ACJLOTCBSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)CCCC1CCOCC1 ZINC001575175728 952388290 /nfs/dbraw/zinc/38/82/90/952388290.db2.gz YCXLJOGTYXAINP-ZDUSSCGKSA-N -1 1 388.476 1.512 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)CCCC1CCOCC1 ZINC001575175728 952388297 /nfs/dbraw/zinc/38/82/97/952388297.db2.gz YCXLJOGTYXAINP-ZDUSSCGKSA-N -1 1 388.476 1.512 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)c1cccnn1 ZINC001575176961 952398398 /nfs/dbraw/zinc/39/83/98/952398398.db2.gz FUJIZBVZJVPAMB-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)c1cccnn1 ZINC001575176961 952398407 /nfs/dbraw/zinc/39/84/07/952398407.db2.gz FUJIZBVZJVPAMB-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)C1=COCCC1 ZINC001575177763 952402138 /nfs/dbraw/zinc/40/21/38/952402138.db2.gz JMRKPBBCGMUVNW-QMMMGPOBSA-N -1 1 383.865 1.930 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)C1=COCCC1 ZINC001575177763 952402142 /nfs/dbraw/zinc/40/21/42/952402142.db2.gz JMRKPBBCGMUVNW-QMMMGPOBSA-N -1 1 383.865 1.930 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575187208 952438593 /nfs/dbraw/zinc/43/85/93/952438593.db2.gz ARWGFNRBWCXENP-QWHCGFSZSA-N -1 1 382.428 1.166 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575187208 952438601 /nfs/dbraw/zinc/43/86/01/952438601.db2.gz ARWGFNRBWCXENP-QWHCGFSZSA-N -1 1 382.428 1.166 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H](C)Cc1cccc(F)c1 ZINC001575187481 952441732 /nfs/dbraw/zinc/44/17/32/952441732.db2.gz CCVTXVLOYPAYJL-RYUDHWBXSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H](C)Cc1cccc(F)c1 ZINC001575187481 952441735 /nfs/dbraw/zinc/44/17/35/952441735.db2.gz CCVTXVLOYPAYJL-RYUDHWBXSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@@H](Cc1cccc(F)c1)C(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575191112 952466315 /nfs/dbraw/zinc/46/63/15/952466315.db2.gz XBOAIMOCKCDMHC-LBPRGKRZSA-N -1 1 384.419 1.227 20 0 GDADMM C[C@@H](Cc1cccc(F)c1)C(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575191112 952466317 /nfs/dbraw/zinc/46/63/17/952466317.db2.gz XBOAIMOCKCDMHC-LBPRGKRZSA-N -1 1 384.419 1.227 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575196262 952475492 /nfs/dbraw/zinc/47/54/92/952475492.db2.gz GNUVWGGKRPXAIM-XIKOKIGWSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575196262 952475496 /nfs/dbraw/zinc/47/54/96/952475496.db2.gz GNUVWGGKRPXAIM-XIKOKIGWSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@@]1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575197185 952480477 /nfs/dbraw/zinc/48/04/77/952480477.db2.gz OXBBCYHQIQAPRE-SGTLLEGYSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@@]1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575197185 952480481 /nfs/dbraw/zinc/48/04/81/952480481.db2.gz OXBBCYHQIQAPRE-SGTLLEGYSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575197207 952480602 /nfs/dbraw/zinc/48/06/02/952480602.db2.gz QESSYRBCDWQQPM-CHWSQXEVSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575197207 952480604 /nfs/dbraw/zinc/48/06/04/952480604.db2.gz QESSYRBCDWQQPM-CHWSQXEVSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C ZINC001575197247 952481416 /nfs/dbraw/zinc/48/14/16/952481416.db2.gz RBRMIAHOKNBAAE-LALPHHSUSA-N -1 1 382.428 1.069 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C ZINC001575197247 952481419 /nfs/dbraw/zinc/48/14/19/952481419.db2.gz RBRMIAHOKNBAAE-LALPHHSUSA-N -1 1 382.428 1.069 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001575197259 952481596 /nfs/dbraw/zinc/48/15/96/952481596.db2.gz RGGCCBRDQDVHNU-BXUZGUMPSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001575197259 952481603 /nfs/dbraw/zinc/48/16/03/952481603.db2.gz RGGCCBRDQDVHNU-BXUZGUMPSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575197372 952482705 /nfs/dbraw/zinc/48/27/05/952482705.db2.gz VBCVCNGXMAFTSL-HIFPTAJRSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NCC1CC(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575197372 952482708 /nfs/dbraw/zinc/48/27/08/952482708.db2.gz VBCVCNGXMAFTSL-HIFPTAJRSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001575197724 952487474 /nfs/dbraw/zinc/48/74/74/952487474.db2.gz YVFDBCRTQOLUGE-YWPYICTPSA-N -1 1 382.428 1.069 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001575197724 952487477 /nfs/dbraw/zinc/48/74/77/952487477.db2.gz YVFDBCRTQOLUGE-YWPYICTPSA-N -1 1 382.428 1.069 20 0 GDADMM Cc1[nH]nc(NC(=O)[C@H](CC2CC2)NC(=O)OC(C)(C)C)c1-c1nn[n-]n1 ZINC001571121324 952518796 /nfs/dbraw/zinc/51/87/96/952518796.db2.gz YMBDRMOYAYOTMF-JTQLQIEISA-N -1 1 376.421 1.530 20 0 GDADMM CC(=O)N1CCc2sc(CNc3snc(C)c3-c3nn[n-]n3)nc2C1 ZINC001571121592 952520253 /nfs/dbraw/zinc/52/02/53/952520253.db2.gz AHJYYPRUNPWSQQ-UHFFFAOYSA-N -1 1 376.471 1.605 20 0 GDADMM CC[C@@H](SC)C(=O)N1C[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)[C@H](C)C1 ZINC001571121937 952524072 /nfs/dbraw/zinc/52/40/72/952524072.db2.gz FPNZCGPDNGPZQU-NQBHXWOUSA-N -1 1 376.490 1.305 20 0 GDADMM CC[C@@H](SC)C(=O)N1C[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)[C@H](C)C1 ZINC001571121937 952524075 /nfs/dbraw/zinc/52/40/75/952524075.db2.gz FPNZCGPDNGPZQU-NQBHXWOUSA-N -1 1 376.490 1.305 20 0 GDADMM CCc1nc(NC[C@H]2CCC[C@H]2NC(=O)C(C)(C)F)cc(-c2nnn[n-]2)n1 ZINC001571121946 952524186 /nfs/dbraw/zinc/52/41/86/952524186.db2.gz GBXMWUULTBXXNL-GHMZBOCLSA-N -1 1 376.440 1.664 20 0 GDADMM CCc1nc(NC[C@H]2CCC[C@H]2NC(=O)C(C)(C)F)cc(-c2nn[n-]n2)n1 ZINC001571121946 952524189 /nfs/dbraw/zinc/52/41/89/952524189.db2.gz GBXMWUULTBXXNL-GHMZBOCLSA-N -1 1 376.440 1.664 20 0 GDADMM O=C(N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cc(Cl)cs1 ZINC001571123149 952528698 /nfs/dbraw/zinc/52/86/98/952528698.db2.gz QJVYRBOVMSWOAY-SECBINFHSA-N -1 1 376.833 1.380 20 0 GDADMM O=C(N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cc(Cl)cs1 ZINC001571123149 952528701 /nfs/dbraw/zinc/52/87/01/952528701.db2.gz QJVYRBOVMSWOAY-SECBINFHSA-N -1 1 376.833 1.380 20 0 GDADMM CCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCN(C(=O)[C@@H](C)SC)CC1 ZINC001571123783 952532234 /nfs/dbraw/zinc/53/22/34/952532234.db2.gz VWPLGEYUWZKEET-LLVKDONJSA-N -1 1 376.490 1.591 20 0 GDADMM CCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCN(C(=O)[C@@H](C)SC)CC1 ZINC001571123783 952532236 /nfs/dbraw/zinc/53/22/36/952532236.db2.gz VWPLGEYUWZKEET-LLVKDONJSA-N -1 1 376.490 1.591 20 0 GDADMM C[C@@](O)(CNC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1)c1cccc(F)c1 ZINC001571124358 952536936 /nfs/dbraw/zinc/53/69/36/952536936.db2.gz GQVUKPQAHLIDNZ-QGZVFWFLSA-N -1 1 377.326 1.922 20 0 GDADMM C[C@@](O)(CNC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1)c1cccc(F)c1 ZINC001571124358 952536942 /nfs/dbraw/zinc/53/69/42/952536942.db2.gz GQVUKPQAHLIDNZ-QGZVFWFLSA-N -1 1 377.326 1.922 20 0 GDADMM CN([C@H](CO)c1ccccc1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC001571124525 952539613 /nfs/dbraw/zinc/53/96/13/952539613.db2.gz LRSWAVSEMBZKJU-CQSZACIVSA-N -1 1 377.401 1.360 20 0 GDADMM CN([C@@H](CO)c1ccccc1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC001571124524 952539752 /nfs/dbraw/zinc/53/97/52/952539752.db2.gz LRSWAVSEMBZKJU-AWEZNQCLSA-N -1 1 377.401 1.360 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001575213586 952558983 /nfs/dbraw/zinc/55/89/83/952558983.db2.gz BKKYCQORLGYVQI-MGCOHNPYSA-N -1 1 380.403 1.645 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001575213586 952558989 /nfs/dbraw/zinc/55/89/89/952558989.db2.gz BKKYCQORLGYVQI-MGCOHNPYSA-N -1 1 380.403 1.645 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575215848 952569598 /nfs/dbraw/zinc/56/95/98/952569598.db2.gz XFHDGXJGADNEDY-JTQLQIEISA-N -1 1 380.403 1.423 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575215848 952569601 /nfs/dbraw/zinc/56/96/01/952569601.db2.gz XFHDGXJGADNEDY-JTQLQIEISA-N -1 1 380.403 1.423 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)C3(C)CC(F)(F)C3)C2)n1 ZINC001571129845 952577774 /nfs/dbraw/zinc/57/77/74/952577774.db2.gz KMOJMSIEYYOSGJ-SNVBAGLBSA-N -1 1 378.387 1.413 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)C3(C)CC(F)(F)C3)C2)n1 ZINC001571129845 952577777 /nfs/dbraw/zinc/57/77/77/952577777.db2.gz KMOJMSIEYYOSGJ-SNVBAGLBSA-N -1 1 378.387 1.413 20 0 GDADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(N2CCNC2=O)cc1 ZINC001571130464 952579712 /nfs/dbraw/zinc/57/97/12/952579712.db2.gz RFJCZEIXLXSYTM-NSHDSACASA-N -1 1 378.396 1.282 20 0 GDADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(N2CCNC2=O)cc1 ZINC001571130464 952579720 /nfs/dbraw/zinc/57/97/20/952579720.db2.gz RFJCZEIXLXSYTM-NSHDSACASA-N -1 1 378.396 1.282 20 0 GDADMM C[C@H]1C[C@@H](NC(=O)C2CC(F)(F)C2)CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571130253 952580103 /nfs/dbraw/zinc/58/01/03/952580103.db2.gz QXPWXOQOKDHWOA-ONGXEEELSA-N -1 1 378.387 1.176 20 0 GDADMM C[C@H]1C[C@@H](NC(=O)C2CC(F)(F)C2)CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571130253 952580107 /nfs/dbraw/zinc/58/01/07/952580107.db2.gz QXPWXOQOKDHWOA-ONGXEEELSA-N -1 1 378.387 1.176 20 0 GDADMM O=C(NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)[C@H]1CCC(F)(F)C1 ZINC001571130893 952583054 /nfs/dbraw/zinc/58/30/54/952583054.db2.gz XUWIXESGDVFABF-QWRGUYRKSA-N -1 1 378.387 1.035 20 0 GDADMM O=C(NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)[C@H]1CCC(F)(F)C1 ZINC001571130893 952583058 /nfs/dbraw/zinc/58/30/58/952583058.db2.gz XUWIXESGDVFABF-QWRGUYRKSA-N -1 1 378.387 1.035 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCN(C(=O)C3C=CC=CC=C3)CC2)n1 ZINC001571134075 952584763 /nfs/dbraw/zinc/58/47/63/952584763.db2.gz ABOSUMDFHIWVOY-UHFFFAOYSA-N -1 1 378.440 1.302 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCN(C(=O)C3C=CC=CC=C3)CC2)n1 ZINC001571134075 952584766 /nfs/dbraw/zinc/58/47/66/952584766.db2.gz ABOSUMDFHIWVOY-UHFFFAOYSA-N -1 1 378.440 1.302 20 0 GDADMM Cc1ccccc1C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)[C@H]1C ZINC001571134201 952587067 /nfs/dbraw/zinc/58/70/67/952587067.db2.gz GDCFBPOMZWHCIE-DZGCQCFKSA-N -1 1 378.440 1.752 20 0 GDADMM Cc1ccccc1C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)[C@H]1C ZINC001571134201 952587072 /nfs/dbraw/zinc/58/70/72/952587072.db2.gz GDCFBPOMZWHCIE-DZGCQCFKSA-N -1 1 378.440 1.752 20 0 GDADMM Cc1ccccc1[C@H](C)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571134305 952588437 /nfs/dbraw/zinc/58/84/37/952588437.db2.gz HLFHZPSTPPRWFO-AWEZNQCLSA-N -1 1 378.440 1.417 20 0 GDADMM Cc1ccccc1[C@H](C)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571134305 952588439 /nfs/dbraw/zinc/58/84/39/952588439.db2.gz HLFHZPSTPPRWFO-AWEZNQCLSA-N -1 1 378.440 1.417 20 0 GDADMM Cc1ccc(C)c(C(=O)N2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C[C@@H]2C)c1 ZINC001571134261 952588824 /nfs/dbraw/zinc/58/88/24/952588824.db2.gz GPCMVOPBIWGVJF-UONOGXRCSA-N -1 1 378.440 1.989 20 0 GDADMM Cc1ccc(C)c(C(=O)N2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C[C@@H]2C)c1 ZINC001571134261 952588830 /nfs/dbraw/zinc/58/88/30/952588830.db2.gz GPCMVOPBIWGVJF-UONOGXRCSA-N -1 1 378.440 1.989 20 0 GDADMM Cc1cccc(C(=O)N[C@@H]2CCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571134379 952589875 /nfs/dbraw/zinc/58/98/75/952589875.db2.gz HVSHEOVYUOWKKP-LSDHHAIUSA-N -1 1 378.440 1.540 20 0 GDADMM Cc1cccc([C@@H](C)C(=O)N2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)c1 ZINC001571134504 952591483 /nfs/dbraw/zinc/59/14/83/952591483.db2.gz JGJUXQCBJWDONP-CQSZACIVSA-N -1 1 378.440 1.417 20 0 GDADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCCN(C(=O)C2C=CC=CC=C2)C1 ZINC001571134593 952593244 /nfs/dbraw/zinc/59/32/44/952593244.db2.gz HMHIAYRSHGWSOK-OAHLLOKOSA-N -1 1 378.440 1.382 20 0 GDADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCCN(C(=O)C2C=CC=CC=C2)C1 ZINC001571134593 952593245 /nfs/dbraw/zinc/59/32/45/952593245.db2.gz HMHIAYRSHGWSOK-OAHLLOKOSA-N -1 1 378.440 1.382 20 0 GDADMM Cc1cccc([C@@H](C)C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571134943 952596966 /nfs/dbraw/zinc/59/69/66/952596966.db2.gz PCQGJAKAFOKOOG-HIFRSBDPSA-N -1 1 378.440 1.782 20 0 GDADMM Cc1cccc([C@@H](C)C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571134943 952596970 /nfs/dbraw/zinc/59/69/70/952596970.db2.gz PCQGJAKAFOKOOG-HIFRSBDPSA-N -1 1 378.440 1.782 20 0 GDADMM Cc1ccccc1C(=O)N1C[C@H](C)[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571135030 952598496 /nfs/dbraw/zinc/59/84/96/952598496.db2.gz QKBISKQRTZZEHE-KBPBESRZSA-N -1 1 378.440 1.207 20 0 GDADMM Cc1ccc(C(=O)N2CCC(Nc3cncc(-c4nnn[n-]4)n3)CC2)c(C)c1 ZINC001571135189 952600707 /nfs/dbraw/zinc/60/07/07/952600707.db2.gz STQLKLDTJCEKPN-UHFFFAOYSA-N -1 1 378.440 1.990 20 0 GDADMM Cc1ccc(C(=O)N2CCC(Nc3cncc(-c4nn[n-]n4)n3)CC2)c(C)c1 ZINC001571135189 952600710 /nfs/dbraw/zinc/60/07/10/952600710.db2.gz STQLKLDTJCEKPN-UHFFFAOYSA-N -1 1 378.440 1.990 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H]([C@H](C)Nc3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001571135421 952604047 /nfs/dbraw/zinc/60/40/47/952604047.db2.gz XLYZLNINGLPLRJ-ZFWWWQNUSA-N -1 1 378.440 1.928 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H]([C@H](C)Nc3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001571135421 952604051 /nfs/dbraw/zinc/60/40/51/952604051.db2.gz XLYZLNINGLPLRJ-ZFWWWQNUSA-N -1 1 378.440 1.928 20 0 GDADMM Cc1cccc(CC(=O)N(C)C2CC(Nc3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571135465 952605063 /nfs/dbraw/zinc/60/50/63/952605063.db2.gz YFIOPQYNCCMWNS-UHFFFAOYSA-N -1 1 378.440 1.609 20 0 GDADMM Cc1cccc(CC(=O)N(C)C2CC(Nc3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571135465 952605065 /nfs/dbraw/zinc/60/50/65/952605065.db2.gz YFIOPQYNCCMWNS-UHFFFAOYSA-N -1 1 378.440 1.609 20 0 GDADMM C[C@H]1CC[C@@H](NC(=O)C2C=CC=CC=C2)CN1c1nccnc1-c1nnn[n-]1 ZINC001571135546 952606084 /nfs/dbraw/zinc/60/60/84/952606084.db2.gz WJJJRWJZUKBVAO-DZGCQCFKSA-N -1 1 378.440 1.429 20 0 GDADMM C[C@H]1CC[C@@H](NC(=O)C2C=CC=CC=C2)CN1c1nccnc1-c1nn[n-]n1 ZINC001571135546 952606087 /nfs/dbraw/zinc/60/60/87/952606087.db2.gz WJJJRWJZUKBVAO-DZGCQCFKSA-N -1 1 378.440 1.429 20 0 GDADMM COc1cccnc1CNC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001571140899 952629703 /nfs/dbraw/zinc/62/97/03/952629703.db2.gz VDZLWIVGRZYMES-UHFFFAOYSA-N -1 1 379.302 1.614 20 0 GDADMM C[C@@H](NC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1)c1nccc(N)n1 ZINC001571141645 952634827 /nfs/dbraw/zinc/63/48/27/952634827.db2.gz XZYUFCUCIRATPK-ZCFIWIBFSA-N -1 1 379.306 1.144 20 0 GDADMM CCc1cccnc1C(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571146696 952650938 /nfs/dbraw/zinc/65/09/38/952650938.db2.gz ARFXGHUTLHZZDG-BJHJDKERSA-N -1 1 379.428 1.235 20 0 GDADMM CCc1cccnc1C(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571146696 952650941 /nfs/dbraw/zinc/65/09/41/952650941.db2.gz ARFXGHUTLHZZDG-BJHJDKERSA-N -1 1 379.428 1.235 20 0 GDADMM CC(C)c1cccc(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571146668 952651192 /nfs/dbraw/zinc/65/11/92/952651192.db2.gz AJDYQURTNDZSSA-LBPRGKRZSA-N -1 1 379.428 1.502 20 0 GDADMM CC(C)c1cccc(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571146668 952651200 /nfs/dbraw/zinc/65/12/00/952651200.db2.gz AJDYQURTNDZSSA-LBPRGKRZSA-N -1 1 379.428 1.502 20 0 GDADMM CC(C)c1cccc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001571147312 952659686 /nfs/dbraw/zinc/65/96/86/952659686.db2.gz JAJPYAVTSMZFBY-LBPRGKRZSA-N -1 1 379.428 1.502 20 0 GDADMM CC(C)c1cccc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001571147312 952659691 /nfs/dbraw/zinc/65/96/91/952659691.db2.gz JAJPYAVTSMZFBY-LBPRGKRZSA-N -1 1 379.428 1.502 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CC[C@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571147364 952660579 /nfs/dbraw/zinc/66/05/79/952660579.db2.gz LBXKGPRZINVFAD-SFHVURJKSA-N -1 1 379.428 1.036 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CC[C@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571147364 952660580 /nfs/dbraw/zinc/66/05/80/952660580.db2.gz LBXKGPRZINVFAD-SFHVURJKSA-N -1 1 379.428 1.036 20 0 GDADMM CCc1ccnc(C(=O)N2CCC[C@H]2CNc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001571147786 952663516 /nfs/dbraw/zinc/66/35/16/952663516.db2.gz QDTRSDZOXOARBG-ZDUSSCGKSA-N -1 1 379.428 1.331 20 0 GDADMM CCc1ccnc(C(=O)N2CCC[C@H]2CNc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001571147786 952663517 /nfs/dbraw/zinc/66/35/17/952663517.db2.gz QDTRSDZOXOARBG-ZDUSSCGKSA-N -1 1 379.428 1.331 20 0 GDADMM CCc1ccnc(C(=O)NC[C@H]2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571148312 952666291 /nfs/dbraw/zinc/66/62/91/952666291.db2.gz YGTIDBNWJRPFSM-BETUJISGSA-N -1 1 379.428 1.235 20 0 GDADMM CCc1ccnc(C(=O)NC[C@H]2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571148312 952666293 /nfs/dbraw/zinc/66/62/93/952666293.db2.gz YGTIDBNWJRPFSM-BETUJISGSA-N -1 1 379.428 1.235 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)nc1 ZINC001571148237 952666405 /nfs/dbraw/zinc/66/64/05/952666405.db2.gz WJFYPCZZQPVIQH-BETUJISGSA-N -1 1 379.428 1.548 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)nc1 ZINC001571148237 952666407 /nfs/dbraw/zinc/66/64/07/952666407.db2.gz WJFYPCZZQPVIQH-BETUJISGSA-N -1 1 379.428 1.548 20 0 GDADMM COc1ccc(CCS(=O)(=O)NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC001571151870 952680601 /nfs/dbraw/zinc/68/06/01/952680601.db2.gz ZQAGFPHZDWXUPE-UHFFFAOYSA-N -1 1 379.467 1.599 20 0 GDADMM C[C@H]1C[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CCS1 ZINC001571153389 952685963 /nfs/dbraw/zinc/68/59/63/952685963.db2.gz QJVIJDUWPSOITA-VHSXEESVSA-N -1 1 379.494 1.030 20 0 GDADMM C[C@H]1C[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CCS1 ZINC001571153389 952685965 /nfs/dbraw/zinc/68/59/65/952685965.db2.gz QJVIJDUWPSOITA-VHSXEESVSA-N -1 1 379.494 1.030 20 0 GDADMM C[C@]1(CNc2ncccc2-c2nn[nH]n2)CCN(C(=O)c2ncccc2[O-])C1 ZINC001571154870 952690650 /nfs/dbraw/zinc/69/06/50/952690650.db2.gz CVLAOPATDSMLKF-GOSISDBHSA-N -1 1 380.412 1.327 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCN(C(=O)[C@@H](C)C(C)(F)F)CC2)n1 ZINC001571155489 952697656 /nfs/dbraw/zinc/69/76/56/952697656.db2.gz UJUHAGDEZMTRFN-LLVKDONJSA-N -1 1 380.403 1.295 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCN(C(=O)[C@@H](C)C(C)(F)F)CC2)n1 ZINC001571155489 952697658 /nfs/dbraw/zinc/69/76/58/952697658.db2.gz UJUHAGDEZMTRFN-LLVKDONJSA-N -1 1 380.403 1.295 20 0 GDADMM Cc1cncc(C(=O)N2CCC[C@@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)c1 ZINC001571156609 952702265 /nfs/dbraw/zinc/70/22/65/952702265.db2.gz DXJJAJYUUGDWCM-CQSZACIVSA-N -1 1 379.428 1.385 20 0 GDADMM Cc1cncc(C(=O)N2CCC[C@@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)c1 ZINC001571156609 952702270 /nfs/dbraw/zinc/70/22/70/952702270.db2.gz DXJJAJYUUGDWCM-CQSZACIVSA-N -1 1 379.428 1.385 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)[C@H](C)C2)ccn1 ZINC001571156825 952706188 /nfs/dbraw/zinc/70/61/88/952706188.db2.gz KRSORTYIWUTWMG-TZMCWYRMSA-N -1 1 379.428 1.147 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@]3(NC(=O)c4ccoc4)CCC[C@H]23)n1 ZINC001571157871 952707994 /nfs/dbraw/zinc/70/79/94/952707994.db2.gz BGURMWFKZVAXFF-KBXCAEBGSA-N -1 1 380.412 1.490 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@]3(NC(=O)c4ccoc4)CCC[C@H]23)n1 ZINC001571157871 952708000 /nfs/dbraw/zinc/70/80/00/952708000.db2.gz BGURMWFKZVAXFF-KBXCAEBGSA-N -1 1 380.412 1.490 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CCC[C@@H]2[C@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001571160315 952724829 /nfs/dbraw/zinc/72/48/29/952724829.db2.gz YIFOAAIEUYBTKB-ZIAGYGMSSA-N -1 1 379.428 1.177 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CCC[C@@H]2[C@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001571160315 952724833 /nfs/dbraw/zinc/72/48/33/952724833.db2.gz YIFOAAIEUYBTKB-ZIAGYGMSSA-N -1 1 379.428 1.177 20 0 GDADMM O=C(c1ccoc1C1CC1)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571160806 952728180 /nfs/dbraw/zinc/72/81/80/952728180.db2.gz MFBUSIGHCNZQSN-UHFFFAOYSA-N -1 1 380.412 1.844 20 0 GDADMM O=C(c1ccoc1C1CC1)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571160806 952728183 /nfs/dbraw/zinc/72/81/83/952728183.db2.gz MFBUSIGHCNZQSN-UHFFFAOYSA-N -1 1 380.412 1.844 20 0 GDADMM Cc1coc(C(=O)N2CCC[C@@H]3[C@H]2CCN3c2nccnc2-c2nnn[n-]2)c1 ZINC001571161247 952731736 /nfs/dbraw/zinc/73/17/36/952731736.db2.gz SOKJKFXUASCOPV-CHWSQXEVSA-N -1 1 380.412 1.442 20 0 GDADMM Cc1coc(C(=O)N2CCC[C@@H]3[C@H]2CCN3c2nccnc2-c2nn[n-]n2)c1 ZINC001571161247 952731737 /nfs/dbraw/zinc/73/17/37/952731737.db2.gz SOKJKFXUASCOPV-CHWSQXEVSA-N -1 1 380.412 1.442 20 0 GDADMM O=C(c1occ2c1CCC2)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571162419 952743583 /nfs/dbraw/zinc/74/35/83/952743583.db2.gz TXTDYKPJWNMBLN-GFCCVEGCSA-N -1 1 380.412 1.455 20 0 GDADMM O=C(c1occ2c1CCC2)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571162419 952743587 /nfs/dbraw/zinc/74/35/87/952743587.db2.gz TXTDYKPJWNMBLN-GFCCVEGCSA-N -1 1 380.412 1.455 20 0 GDADMM COc1ccc(C(=O)Cn2c3c(cc(-c4nn[n-]n4)c2=O)CCC3)c(OC)c1 ZINC001571171128 952791850 /nfs/dbraw/zinc/79/18/50/952791850.db2.gz PMCUYEHDEXDJOA-UHFFFAOYSA-N -1 1 381.392 1.417 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C12CCC2)C1CC2(CC2)C1 ZINC001571171981 952800537 /nfs/dbraw/zinc/80/05/37/952800537.db2.gz KCXWQKOPGIWSSB-KBPBESRZSA-N -1 1 380.456 1.686 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C12CCC2)C1CC2(CC2)C1 ZINC001571171981 952800544 /nfs/dbraw/zinc/80/05/44/952800544.db2.gz KCXWQKOPGIWSSB-KBPBESRZSA-N -1 1 380.456 1.686 20 0 GDADMM O=C(N[C@]12CCC[C@H]1CN(c1cnc(-c3nnn[n-]3)cn1)C2)C1CC2(CC2)C1 ZINC001571172833 952809561 /nfs/dbraw/zinc/80/95/61/952809561.db2.gz YSDSGCFWCRXABX-DJJJIMSYSA-N -1 1 380.456 1.322 20 0 GDADMM O=C(N[C@]12CCC[C@H]1CN(c1cnc(-c3nn[n-]n3)cn1)C2)C1CC2(CC2)C1 ZINC001571172833 952809571 /nfs/dbraw/zinc/80/95/71/952809571.db2.gz YSDSGCFWCRXABX-DJJJIMSYSA-N -1 1 380.456 1.322 20 0 GDADMM Cc1noc(C2CC2)c1C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571176099 952828241 /nfs/dbraw/zinc/82/82/41/952828241.db2.gz KXUFEHCNEGIBPW-NSHDSACASA-N -1 1 381.400 1.157 20 0 GDADMM Cc1noc(C2CC2)c1C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571176099 952828246 /nfs/dbraw/zinc/82/82/46/952828246.db2.gz KXUFEHCNEGIBPW-NSHDSACASA-N -1 1 381.400 1.157 20 0 GDADMM CC(C)c1[nH]ccc1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571180958 952861881 /nfs/dbraw/zinc/86/18/81/952861881.db2.gz RULTVKSCLBELDV-GFCCVEGCSA-N -1 1 381.444 1.507 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](NC(=O)c3cc[nH]c3)C[C@H]2C)n1 ZINC001571183653 952880696 /nfs/dbraw/zinc/88/06/96/952880696.db2.gz GZDUQPXGIUFAHY-DGCLKSJQSA-N -1 1 381.444 1.335 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](NC(=O)c3cc[nH]c3)C[C@H]2C)n1 ZINC001571183653 952880698 /nfs/dbraw/zinc/88/06/98/952880698.db2.gz GZDUQPXGIUFAHY-DGCLKSJQSA-N -1 1 381.444 1.335 20 0 GDADMM C[C@H](Nc1nccnc1-c1nnn[n-]1)C1CCN(C(=O)c2ccn(C)c2)CC1 ZINC001571183744 952882611 /nfs/dbraw/zinc/88/26/11/952882611.db2.gz INGSJOJNGFOADR-LBPRGKRZSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)C1CCN(C(=O)c2ccn(C)c2)CC1 ZINC001571183744 952882612 /nfs/dbraw/zinc/88/26/12/952882612.db2.gz INGSJOJNGFOADR-LBPRGKRZSA-N -1 1 381.444 1.348 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](CNC(=O)c3[nH]ccc3C)C2)n1 ZINC001571183963 952885258 /nfs/dbraw/zinc/88/52/58/952885258.db2.gz NPSJPRNFBYAJBB-GFCCVEGCSA-N -1 1 381.444 1.112 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](CNC(=O)c3[nH]ccc3C)C2)n1 ZINC001571183963 952885266 /nfs/dbraw/zinc/88/52/66/952885266.db2.gz NPSJPRNFBYAJBB-GFCCVEGCSA-N -1 1 381.444 1.112 20 0 GDADMM C[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCn1cccc1 ZINC001571184203 952889201 /nfs/dbraw/zinc/88/92/01/952889201.db2.gz SYRHOPMJRSPZRI-KBPBESRZSA-N -1 1 381.444 1.340 20 0 GDADMM C[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCn1cccc1 ZINC001571184203 952889205 /nfs/dbraw/zinc/88/92/05/952889205.db2.gz SYRHOPMJRSPZRI-KBPBESRZSA-N -1 1 381.444 1.340 20 0 GDADMM CCCc1[nH]ccc1C(=O)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571184309 952890963 /nfs/dbraw/zinc/89/09/63/952890963.db2.gz VZQBKLZEUSLWIP-UHFFFAOYSA-N -1 1 381.444 1.290 20 0 GDADMM CCCc1[nH]ccc1C(=O)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571184309 952890966 /nfs/dbraw/zinc/89/09/66/952890966.db2.gz VZQBKLZEUSLWIP-UHFFFAOYSA-N -1 1 381.444 1.290 20 0 GDADMM CCn1c(C)cc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)c1C ZINC001571184411 952894158 /nfs/dbraw/zinc/89/41/58/952894158.db2.gz YTHPVUSEPCZEEH-CYBMUJFWSA-N -1 1 381.444 1.422 20 0 GDADMM CCn1c(C)cc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)c1C ZINC001571184411 952894166 /nfs/dbraw/zinc/89/41/66/952894166.db2.gz YTHPVUSEPCZEEH-CYBMUJFWSA-N -1 1 381.444 1.422 20 0 GDADMM C[C@H](Nc1nccnc1-c1nnn[n-]1)[C@@H]1CCCCN1C(=O)Cc1ccc[nH]1 ZINC001571184427 952894180 /nfs/dbraw/zinc/89/41/80/952894180.db2.gz ZAGIDHHOZPBFGJ-JSGCOSHPSA-N -1 1 381.444 1.409 20 0 GDADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)[C@@H]1CCCCN1C(=O)Cc1ccc[nH]1 ZINC001571184427 952894187 /nfs/dbraw/zinc/89/41/87/952894187.db2.gz ZAGIDHHOZPBFGJ-JSGCOSHPSA-N -1 1 381.444 1.409 20 0 GDADMM Cc1c[nH]cc1C(=O)NC[C@H]1CC[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571184648 952894839 /nfs/dbraw/zinc/89/48/39/952894839.db2.gz CELPPYMQCJHGOR-QWHCGFSZSA-N -1 1 381.444 1.612 20 0 GDADMM Cc1c[nH]cc1C(=O)NC[C@H]1CC[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571184648 952894844 /nfs/dbraw/zinc/89/48/44/952894844.db2.gz CELPPYMQCJHGOR-QWHCGFSZSA-N -1 1 381.444 1.612 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CCC[C@@H](C)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571185245 952901319 /nfs/dbraw/zinc/90/13/19/952901319.db2.gz JZFVBCKKDWZRRK-BXUZGUMPSA-N -1 1 381.444 1.646 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CCC[C@@H](C)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571185245 952901321 /nfs/dbraw/zinc/90/13/21/952901321.db2.gz JZFVBCKKDWZRRK-BXUZGUMPSA-N -1 1 381.444 1.646 20 0 GDADMM CCn1ccc(C(=O)NCC2CC(Nc3cncc(-c4nnn[n-]4)n3)C2)c1C ZINC001571186809 952909481 /nfs/dbraw/zinc/90/94/81/952909481.db2.gz ZXRKWTURRJDORC-UHFFFAOYSA-N -1 1 381.444 1.407 20 0 GDADMM CCn1ccc(C(=O)NCC2CC(Nc3cncc(-c4nn[n-]n4)n3)C2)c1C ZINC001571186809 952909486 /nfs/dbraw/zinc/90/94/86/952909486.db2.gz ZXRKWTURRJDORC-UHFFFAOYSA-N -1 1 381.444 1.407 20 0 GDADMM Cc1ccn(C)c1C(=O)N[C@@H]1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571189083 952923981 /nfs/dbraw/zinc/92/39/81/952923981.db2.gz RSBFKYCUWOULNP-CHWSQXEVSA-N -1 1 381.444 1.314 20 0 GDADMM Cc1ccn(C)c1C(=O)N[C@@H]1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571189083 952923986 /nfs/dbraw/zinc/92/39/86/952923986.db2.gz RSBFKYCUWOULNP-CHWSQXEVSA-N -1 1 381.444 1.314 20 0 GDADMM Cc1ccn(C)c1C(=O)N[C@H]1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571189084 952924086 /nfs/dbraw/zinc/92/40/86/952924086.db2.gz RSBFKYCUWOULNP-OLZOCXBDSA-N -1 1 381.444 1.314 20 0 GDADMM Cc1ccn(C)c1C(=O)N[C@H]1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571189084 952924091 /nfs/dbraw/zinc/92/40/91/952924091.db2.gz RSBFKYCUWOULNP-OLZOCXBDSA-N -1 1 381.444 1.314 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@H](N(C)c3cnc(-c4nnn[n-]4)cn3)C2)n1C ZINC001571189233 952926268 /nfs/dbraw/zinc/92/62/68/952926268.db2.gz SXOATZPJZSHBQD-ZDUSSCGKSA-N -1 1 381.444 1.045 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@H](N(C)c3cnc(-c4nn[n-]n4)cn3)C2)n1C ZINC001571189233 952926275 /nfs/dbraw/zinc/92/62/75/952926275.db2.gz SXOATZPJZSHBQD-ZDUSSCGKSA-N -1 1 381.444 1.045 20 0 GDADMM CC1(C)C[C@@H]1C(=O)NC[C@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571192236 952948498 /nfs/dbraw/zinc/94/84/98/952948498.db2.gz VHZGPLSBFZAVBC-RKDXNWHRSA-N -1 1 381.893 1.965 20 0 GDADMM Cc1cc(F)cc(C)c1C(=O)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571195613 952977503 /nfs/dbraw/zinc/97/75/03/952977503.db2.gz COWVDLUARPUPCU-UHFFFAOYSA-N -1 1 382.403 1.375 20 0 GDADMM Cc1cc(F)cc(C(=O)NC[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571195849 952979144 /nfs/dbraw/zinc/97/91/44/952979144.db2.gz GJRKNQRUHBLEKH-LBPRGKRZSA-N -1 1 382.403 1.361 20 0 GDADMM Cc1cc(F)cc(C(=O)NC[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571195849 952979148 /nfs/dbraw/zinc/97/91/48/952979148.db2.gz GJRKNQRUHBLEKH-LBPRGKRZSA-N -1 1 382.403 1.361 20 0 GDADMM Cc1ccc(F)c(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@H]2C)c1 ZINC001571196031 952979321 /nfs/dbraw/zinc/97/93/21/952979321.db2.gz GUVSZJRVGFQXDG-BXUZGUMPSA-N -1 1 382.403 1.241 20 0 GDADMM Cc1cc(C(=O)NC[C@H]2CCCN2c2nccnc2-c2nnn[n-]2)ccc1F ZINC001571196143 952980231 /nfs/dbraw/zinc/98/02/31/952980231.db2.gz HRCHCWSARNMVCY-CYBMUJFWSA-N -1 1 382.403 1.503 20 0 GDADMM Cc1cc(C(=O)NC[C@H]2CCCN2c2nccnc2-c2nn[n-]n2)ccc1F ZINC001571196143 952980234 /nfs/dbraw/zinc/98/02/34/952980234.db2.gz HRCHCWSARNMVCY-CYBMUJFWSA-N -1 1 382.403 1.503 20 0 GDADMM Cc1cc(C(=O)N2C[C@H](C)[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)ccc1F ZINC001571196635 952983302 /nfs/dbraw/zinc/98/33/02/952983302.db2.gz LRPLBRFKSDWXQB-SMDDNHRTSA-N -1 1 382.403 1.099 20 0 GDADMM Cc1cccc(F)c1C(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571197397 952989319 /nfs/dbraw/zinc/98/93/19/952989319.db2.gz ZCVHMFLJPSXAHK-UHFFFAOYSA-N -1 1 382.403 1.503 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)Cc3ccc(F)cc3)C2)n1 ZINC001571197425 952989879 /nfs/dbraw/zinc/98/98/79/952989879.db2.gz ZSOBTPSSCSBSEG-AWEZNQCLSA-N -1 1 382.403 1.042 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)Cc3ccc(F)cc3)C2)n1 ZINC001571197425 952989883 /nfs/dbraw/zinc/98/98/83/952989883.db2.gz ZSOBTPSSCSBSEG-AWEZNQCLSA-N -1 1 382.403 1.042 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)c3ccoc3)C[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571198777 952994264 /nfs/dbraw/zinc/99/42/64/952994264.db2.gz GFAOZYMEPJHSLG-WCQYABFASA-N -1 1 382.428 1.775 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)c3ccoc3)C[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571198777 952994267 /nfs/dbraw/zinc/99/42/67/952994267.db2.gz GFAOZYMEPJHSLG-WCQYABFASA-N -1 1 382.428 1.775 20 0 GDADMM CCc1nc(NC[C@@]2(C)CCN(C(=O)c3ccoc3)C2)cc(-c2nnn[n-]2)n1 ZINC001571199106 952996275 /nfs/dbraw/zinc/99/62/75/952996275.db2.gz LVISHPWHWMZPON-GOSISDBHSA-N -1 1 382.428 1.776 20 0 GDADMM CCc1nc(NC[C@@]2(C)CCN(C(=O)c3ccoc3)C2)cc(-c2nn[n-]n2)n1 ZINC001571199106 952996278 /nfs/dbraw/zinc/99/62/78/952996278.db2.gz LVISHPWHWMZPON-GOSISDBHSA-N -1 1 382.428 1.776 20 0 GDADMM CN(c1nccnc1-c1nnn[n-]1)[C@@H]1CCCN(C(=O)CCc2ccco2)C1 ZINC001571199152 952996445 /nfs/dbraw/zinc/99/64/45/952996445.db2.gz MOTQQBFLXGFUBR-CYBMUJFWSA-N -1 1 382.428 1.310 20 0 GDADMM CN(c1nccnc1-c1nn[n-]n1)[C@@H]1CCCN(C(=O)CCc2ccco2)C1 ZINC001571199152 952996447 /nfs/dbraw/zinc/99/64/47/952996447.db2.gz MOTQQBFLXGFUBR-CYBMUJFWSA-N -1 1 382.428 1.310 20 0 GDADMM CCCc1occc1C(=O)N(C)C1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571199966 953006682 /nfs/dbraw/zinc/00/66/82/953006682.db2.gz FMNGYHWZBWHSBO-UHFFFAOYSA-N -1 1 382.428 1.917 20 0 GDADMM CCCc1occc1C(=O)N(C)C1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571199966 953006685 /nfs/dbraw/zinc/00/66/85/953006685.db2.gz FMNGYHWZBWHSBO-UHFFFAOYSA-N -1 1 382.428 1.917 20 0 GDADMM Cc1ccc(CC(=O)N2C[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)[C@H](C)C2)o1 ZINC001571200085 953006971 /nfs/dbraw/zinc/00/69/71/953006971.db2.gz AMJVUCZNZVKBQB-DGCLKSJQSA-N -1 1 382.428 1.307 20 0 GDADMM Cc1ccc(CC(=O)N2C[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)[C@H](C)C2)o1 ZINC001571200085 953006972 /nfs/dbraw/zinc/00/69/72/953006972.db2.gz AMJVUCZNZVKBQB-DGCLKSJQSA-N -1 1 382.428 1.307 20 0 GDADMM O=C(Cc1ccccc1F)N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571200314 953008836 /nfs/dbraw/zinc/00/88/36/953008836.db2.gz HOTZYSNFJDTTEP-ZDUSSCGKSA-N -1 1 382.403 1.441 20 0 GDADMM O=C(Cc1ccccc1F)N1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571200314 953008837 /nfs/dbraw/zinc/00/88/37/953008837.db2.gz HOTZYSNFJDTTEP-ZDUSSCGKSA-N -1 1 382.403 1.441 20 0 GDADMM Cc1ccoc1C(=O)N1CCCC[C@H]1[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571200889 953013100 /nfs/dbraw/zinc/01/31/00/953013100.db2.gz HNLVFHWTWPUEEU-STQMWFEESA-N -1 1 382.428 1.475 20 0 GDADMM C[C@@H](CC(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)c1ccco1 ZINC001571201406 953017522 /nfs/dbraw/zinc/01/75/22/953017522.db2.gz PUCXXNZAUCREBO-ZDUSSCGKSA-N -1 1 382.428 1.482 20 0 GDADMM C[C@@H](CC(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)c1ccco1 ZINC001571201406 953017530 /nfs/dbraw/zinc/01/75/30/953017530.db2.gz PUCXXNZAUCREBO-ZDUSSCGKSA-N -1 1 382.428 1.482 20 0 GDADMM Cc1occc1C(=O)N1CC[C@@H]([C@@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571201771 953019452 /nfs/dbraw/zinc/01/94/52/953019452.db2.gz NYFQJSMDZLMBSE-DGCLKSJQSA-N -1 1 382.428 1.829 20 0 GDADMM Cc1occc1C(=O)N1CC[C@@H]([C@@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571201771 953019455 /nfs/dbraw/zinc/01/94/55/953019455.db2.gz NYFQJSMDZLMBSE-DGCLKSJQSA-N -1 1 382.428 1.829 20 0 GDADMM C[C@H]1CCCN(C(=O)Cc2ccoc2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571201945 953022356 /nfs/dbraw/zinc/02/23/56/953022356.db2.gz UCNYRLNZHHRIJM-SWLSCSKDSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@H]1CCCN(C(=O)Cc2ccoc2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571201945 953022360 /nfs/dbraw/zinc/02/23/60/953022360.db2.gz UCNYRLNZHHRIJM-SWLSCSKDSA-N -1 1 382.428 1.531 20 0 GDADMM Cc1coc(C)c1C(=O)NC[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571202292 953023721 /nfs/dbraw/zinc/02/37/21/953023721.db2.gz SUAPLGOBNCYRIS-ZDUSSCGKSA-N -1 1 382.428 1.513 20 0 GDADMM Cc1cc(C(=O)N2CCCC[C@H]2CNc2cncc(-c3nnn[n-]3)n2)c(C)o1 ZINC001571202260 953023986 /nfs/dbraw/zinc/02/39/86/953023986.db2.gz SFKRZBYHCTZBSZ-ZDUSSCGKSA-N -1 1 382.428 1.973 20 0 GDADMM Cc1cc(C(=O)N2CCCC[C@H]2CNc2cncc(-c3nn[n-]n3)n2)c(C)o1 ZINC001571202260 953023989 /nfs/dbraw/zinc/02/39/89/953023989.db2.gz SFKRZBYHCTZBSZ-ZDUSSCGKSA-N -1 1 382.428 1.973 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001571202387 953024195 /nfs/dbraw/zinc/02/41/95/953024195.db2.gz WADJJEFKJLNWRY-QWHCGFSZSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001571202387 953024200 /nfs/dbraw/zinc/02/42/00/953024200.db2.gz WADJJEFKJLNWRY-QWHCGFSZSA-N -1 1 382.428 1.704 20 0 GDADMM Cc1coc(C)c1C(=O)N1CC[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001571202571 953026241 /nfs/dbraw/zinc/02/62/41/953026241.db2.gz VDNAKBWPQNIYRF-AAEUAGOBSA-N -1 1 382.428 1.890 20 0 GDADMM Cc1coc(C)c1C(=O)N1CC[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001571202571 953026245 /nfs/dbraw/zinc/02/62/45/953026245.db2.gz VDNAKBWPQNIYRF-AAEUAGOBSA-N -1 1 382.428 1.890 20 0 GDADMM Cc1cc(C(=O)N2C[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)[C@H](C)C2)oc1C ZINC001571202798 953028607 /nfs/dbraw/zinc/02/86/07/953028607.db2.gz YVNVPXKXWVBHMG-DGCLKSJQSA-N -1 1 382.428 1.687 20 0 GDADMM Cc1cc(C(=O)N2C[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)[C@H](C)C2)oc1C ZINC001571202798 953028613 /nfs/dbraw/zinc/02/86/13/953028613.db2.gz YVNVPXKXWVBHMG-DGCLKSJQSA-N -1 1 382.428 1.687 20 0 GDADMM CCc1cc(C(=O)N2CCC(C)(Nc3cncc(-c4nn[n-]n4)n3)CC2)[nH]n1 ZINC001571204639 953031343 /nfs/dbraw/zinc/03/13/43/953031343.db2.gz BYLZOGBMQRBJJY-UHFFFAOYSA-N -1 1 382.432 1.049 20 0 GDADMM CC(C)n1nccc1C(=O)NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571205518 953039089 /nfs/dbraw/zinc/03/90/89/953039089.db2.gz LAGYWUQFFZUVGW-UHFFFAOYSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1nccc1C(=O)NCC1CC(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571205518 953039092 /nfs/dbraw/zinc/03/90/92/953039092.db2.gz LAGYWUQFFZUVGW-UHFFFAOYSA-N -1 1 382.432 1.055 20 0 GDADMM CC[C@@H](C)n1nccc1C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571205681 953041735 /nfs/dbraw/zinc/04/17/35/953041735.db2.gz MXGJVXDXHKPCEA-NEPJUHHUSA-N -1 1 382.432 1.151 20 0 GDADMM CC[C@@H](C)n1nccc1C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571205681 953041741 /nfs/dbraw/zinc/04/17/41/953041741.db2.gz MXGJVXDXHKPCEA-NEPJUHHUSA-N -1 1 382.432 1.151 20 0 GDADMM Cc1c[nH]nc1C(=O)N1CCCCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571207283 953061967 /nfs/dbraw/zinc/06/19/67/953061967.db2.gz PLXXSRYEZFJTBZ-LBPRGKRZSA-N -1 1 382.432 1.185 20 0 GDADMM Cc1c[nH]nc1C(=O)N1CCCCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571207283 953061969 /nfs/dbraw/zinc/06/19/69/953061969.db2.gz PLXXSRYEZFJTBZ-LBPRGKRZSA-N -1 1 382.432 1.185 20 0 GDADMM CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001571211508 953077030 /nfs/dbraw/zinc/07/70/30/953077030.db2.gz ADQDUZKUERPUJM-MGPQQGTHSA-N -1 1 382.472 1.568 20 0 GDADMM CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001571211508 953077031 /nfs/dbraw/zinc/07/70/31/953077031.db2.gz ADQDUZKUERPUJM-MGPQQGTHSA-N -1 1 382.472 1.568 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H]3CN(C(=O)[C@@H](C)C4CC4)C[C@@H]3C2)n1 ZINC001571211547 953077701 /nfs/dbraw/zinc/07/77/01/953077701.db2.gz BCRVDQZODIQTGI-FPMFFAJLSA-N -1 1 382.472 1.160 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H]3CN(C(=O)[C@@H](C)C4CC4)C[C@@H]3C2)n1 ZINC001571211547 953077703 /nfs/dbraw/zinc/07/77/03/953077703.db2.gz BCRVDQZODIQTGI-FPMFFAJLSA-N -1 1 382.472 1.160 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H]3[C@H]2CCCN3C(=O)[C@@H]2CC2(C)C)n1 ZINC001571211747 953080227 /nfs/dbraw/zinc/08/02/27/953080227.db2.gz DXJJGVPCIDCCCP-NWANDNLSSA-N -1 1 382.472 1.581 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H]3[C@H]2CCCN3C(=O)[C@@H]2CC2(C)C)n1 ZINC001571211747 953080230 /nfs/dbraw/zinc/08/02/30/953080230.db2.gz DXJJGVPCIDCCCP-NWANDNLSSA-N -1 1 382.472 1.581 20 0 GDADMM C[C@]1(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571211750 953080238 /nfs/dbraw/zinc/08/02/38/953080238.db2.gz FCIVYARROVUILT-PJHJGJPPSA-N -1 1 382.472 1.568 20 0 GDADMM CC1(C)CC[C@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@]2(C)C1 ZINC001571212300 953087313 /nfs/dbraw/zinc/08/73/13/953087313.db2.gz LAJITVJPTGGJOM-NQCMUKECSA-N -1 1 382.472 1.378 20 0 GDADMM CC1(C)CC[C@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@]2(C)C1 ZINC001571212300 953087318 /nfs/dbraw/zinc/08/73/18/953087318.db2.gz LAJITVJPTGGJOM-NQCMUKECSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2CC3(CCC3)C2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571212965 953091383 /nfs/dbraw/zinc/09/13/83/953091383.db2.gz OMBQXRBZQRLFFM-TZMCWYRMSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2CC3(CCC3)C2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571212965 953091384 /nfs/dbraw/zinc/09/13/84/953091384.db2.gz OMBQXRBZQRLFFM-TZMCWYRMSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1CNC(=O)C1=CCCCCC1 ZINC001571212927 953091434 /nfs/dbraw/zinc/09/14/34/953091434.db2.gz OHCUBABFBOGPKI-UKRRQHHQSA-N -1 1 382.472 1.736 20 0 GDADMM C[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1CNC(=O)C1=CCCCCC1 ZINC001571212927 953091438 /nfs/dbraw/zinc/09/14/38/953091438.db2.gz OHCUBABFBOGPKI-UKRRQHHQSA-N -1 1 382.472 1.736 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H]3CCN(C(=O)CC4CCC4)[C@@H]3C2)n1 ZINC001571213687 953096847 /nfs/dbraw/zinc/09/68/47/953096847.db2.gz UIZAVYWPSVWFSK-DZGCQCFKSA-N -1 1 382.472 1.446 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H]3CCN(C(=O)CC4CCC4)[C@@H]3C2)n1 ZINC001571213687 953096851 /nfs/dbraw/zinc/09/68/51/953096851.db2.gz UIZAVYWPSVWFSK-DZGCQCFKSA-N -1 1 382.472 1.446 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)[C@@H]3CC34CC4)[C@H]2CC)n1 ZINC001571214045 953098525 /nfs/dbraw/zinc/09/85/25/953098525.db2.gz VRSYPGFXZRRQRH-SGMGOOAPSA-N -1 1 382.472 1.493 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)[C@@H]3CC34CC4)[C@H]2CC)n1 ZINC001571214045 953098528 /nfs/dbraw/zinc/09/85/28/953098528.db2.gz VRSYPGFXZRRQRH-SGMGOOAPSA-N -1 1 382.472 1.493 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)[C@H]3[C@@H]4CCCC[C@@H]43)C2)cc(-c2nnn[n-]2)n1 ZINC001571214033 953098715 /nfs/dbraw/zinc/09/87/15/953098715.db2.gz VNLCCXYCOOSJKF-FJZAXULXSA-N -1 1 382.472 1.668 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)[C@H]3[C@@H]4CCCC[C@@H]43)C2)cc(-c2nn[n-]n2)n1 ZINC001571214033 953098720 /nfs/dbraw/zinc/09/87/20/953098720.db2.gz VNLCCXYCOOSJKF-FJZAXULXSA-N -1 1 382.472 1.668 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@@H]2CCCN2C(=O)[C@]23C[C@H]2CCC3)n1 ZINC001571214331 953101996 /nfs/dbraw/zinc/10/19/96/953101996.db2.gz XMJJZLAJARZOQU-BIENJYKASA-N -1 1 382.472 1.583 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@@H]2CCCN2C(=O)[C@]23C[C@H]2CCC3)n1 ZINC001571214331 953101999 /nfs/dbraw/zinc/10/19/99/953101999.db2.gz XMJJZLAJARZOQU-BIENJYKASA-N -1 1 382.472 1.583 20 0 GDADMM O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CCCCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571217252 953106607 /nfs/dbraw/zinc/10/66/07/953106607.db2.gz DDDVKOGROJABMC-SZOQZIPDSA-N -1 1 382.472 1.886 20 0 GDADMM O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CCCCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571217252 953106609 /nfs/dbraw/zinc/10/66/09/953106609.db2.gz DDDVKOGROJABMC-SZOQZIPDSA-N -1 1 382.472 1.886 20 0 GDADMM O=C(NC1CC2(C1)CC(Nc1ccnc(-c3nn[n-]n3)n1)C2)C1CCCCC1 ZINC001571217724 953111053 /nfs/dbraw/zinc/11/10/53/953111053.db2.gz JHCNDQHENRBMPG-UHFFFAOYSA-N -1 1 382.472 1.498 20 0 GDADMM O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCCCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571217958 953111565 /nfs/dbraw/zinc/11/15/65/953111565.db2.gz JJNZCACPJFEZSU-CBBWQLFWSA-N -1 1 382.472 1.308 20 0 GDADMM O=C(NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)[C@@H]1C[C@H]1C1CCC1 ZINC001571219319 953125126 /nfs/dbraw/zinc/12/51/26/953125126.db2.gz XKQORWSEGHYHGQ-LSDHHAIUSA-N -1 1 382.472 1.426 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)C1[C@@H]2CCCCCC[C@@H]12 ZINC001571219341 953125361 /nfs/dbraw/zinc/12/53/61/953125361.db2.gz XRHFXYPRKZQYQL-AAVRWANBSA-N -1 1 382.472 1.932 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)C1[C@@H]2CCCCCC[C@@H]12 ZINC001571219341 953125363 /nfs/dbraw/zinc/12/53/63/953125363.db2.gz XRHFXYPRKZQYQL-AAVRWANBSA-N -1 1 382.472 1.932 20 0 GDADMM O=C(N[C@@H]1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)c1ccncc1F ZINC001571219776 953127769 /nfs/dbraw/zinc/12/77/69/953127769.db2.gz SJFCRADZNOHLQY-ZWNOBZJWSA-N -1 1 383.391 1.201 20 0 GDADMM O=C(N[C@@H]1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)c1ccncc1F ZINC001571219776 953127774 /nfs/dbraw/zinc/12/77/74/953127774.db2.gz SJFCRADZNOHLQY-ZWNOBZJWSA-N -1 1 383.391 1.201 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571222287 953133133 /nfs/dbraw/zinc/13/31/33/953133133.db2.gz GBCQMUAXECNWHM-XYPYZODXSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571222287 953133140 /nfs/dbraw/zinc/13/31/40/953133140.db2.gz GBCQMUAXECNWHM-XYPYZODXSA-N -1 1 383.416 1.389 20 0 GDADMM CCc1noc(C)c1C(=O)N1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001571222722 953137843 /nfs/dbraw/zinc/13/78/43/953137843.db2.gz KFUBLIZQUOHDAP-ZANVPECISA-N -1 1 383.416 1.088 20 0 GDADMM CCc1noc(C)c1C(=O)N1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001571222722 953137845 /nfs/dbraw/zinc/13/78/45/953137845.db2.gz KFUBLIZQUOHDAP-ZANVPECISA-N -1 1 383.416 1.088 20 0 GDADMM Cc1nc(C(C)C)oc1C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571225666 953153760 /nfs/dbraw/zinc/15/37/60/953153760.db2.gz NAFWEKYZNYHMIL-LLVKDONJSA-N -1 1 383.416 1.085 20 0 GDADMM Cc1nc(C(C)C)oc1C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571225666 953153762 /nfs/dbraw/zinc/15/37/62/953153762.db2.gz NAFWEKYZNYHMIL-LLVKDONJSA-N -1 1 383.416 1.085 20 0 GDADMM Cc1ncoc1C(=O)N1CCC[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571225930 953154176 /nfs/dbraw/zinc/15/41/76/953154176.db2.gz OPCOIVLNTPIZKE-GFCCVEGCSA-N -1 1 383.416 1.308 20 0 GDADMM Cc1ncoc1C(=O)N1CCC[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571225930 953154179 /nfs/dbraw/zinc/15/41/79/953154179.db2.gz OPCOIVLNTPIZKE-GFCCVEGCSA-N -1 1 383.416 1.308 20 0 GDADMM Cc1nc(C(=O)N2CC[C@H]([C@H](C)Nc3nccnc3-c3nnn[n-]3)C2)c(C)o1 ZINC001571225953 953155135 /nfs/dbraw/zinc/15/51/35/953155135.db2.gz PBIHNSMEHCREFP-CABZTGNLSA-N -1 1 383.416 1.224 20 0 GDADMM Cc1nc(C(=O)N2CC[C@H]([C@H](C)Nc3nccnc3-c3nn[n-]n3)C2)c(C)o1 ZINC001571225953 953155137 /nfs/dbraw/zinc/15/51/37/953155137.db2.gz PBIHNSMEHCREFP-CABZTGNLSA-N -1 1 383.416 1.224 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCCC[C@@H]2CNC(=O)c2cocn2)n1 ZINC001571225973 953155525 /nfs/dbraw/zinc/15/55/25/953155525.db2.gz PMMZHOUCQZJXAR-GFCCVEGCSA-N -1 1 383.416 1.132 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCCC[C@@H]2CNC(=O)c2cocn2)n1 ZINC001571225973 953155526 /nfs/dbraw/zinc/15/55/26/953155526.db2.gz PMMZHOUCQZJXAR-GFCCVEGCSA-N -1 1 383.416 1.132 20 0 GDADMM Cc1nc(C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)[C@H]2C)c(C)o1 ZINC001571226640 953156926 /nfs/dbraw/zinc/15/69/26/953156926.db2.gz UJUMXIMOTXWZKB-CABZTGNLSA-N -1 1 383.416 1.049 20 0 GDADMM Cc1nc(C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)[C@H]2C)c(C)o1 ZINC001571226640 953156929 /nfs/dbraw/zinc/15/69/29/953156929.db2.gz UJUMXIMOTXWZKB-CABZTGNLSA-N -1 1 383.416 1.049 20 0 GDADMM Cc1noc(C(C)C)c1C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571226900 953157016 /nfs/dbraw/zinc/15/70/16/953157016.db2.gz WJSNCGSGTVGFHQ-LLVKDONJSA-N -1 1 383.416 1.085 20 0 GDADMM Cc1noc(C(C)C)c1C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571226900 953157018 /nfs/dbraw/zinc/15/70/18/953157018.db2.gz WJSNCGSGTVGFHQ-LLVKDONJSA-N -1 1 383.416 1.085 20 0 GDADMM Cc1ncoc1C(=O)NC[C@H]1CCCCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571227106 953158444 /nfs/dbraw/zinc/15/84/44/953158444.db2.gz YTSBNDJYZGLIEA-GFCCVEGCSA-N -1 1 383.416 1.132 20 0 GDADMM O=C(N[C@]12CCC[C@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2)c1cncs1 ZINC001571231146 953183658 /nfs/dbraw/zinc/18/36/58/953183658.db2.gz UBCIMCDVFMMYFP-WBMJQRKESA-N -1 1 383.441 1.045 20 0 GDADMM O=C(N[C@]12CCC[C@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2)c1cncs1 ZINC001571231146 953183660 /nfs/dbraw/zinc/18/36/60/953183660.db2.gz UBCIMCDVFMMYFP-WBMJQRKESA-N -1 1 383.441 1.045 20 0 GDADMM Cc1nc(C)c(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2-c2nn[nH]n2)s1 ZINC001571234129 953198819 /nfs/dbraw/zinc/19/88/19/953198819.db2.gz NWQMQTNMNBIMNT-CQSZACIVSA-N -1 1 383.481 1.944 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CC[C@@H]1[C@H]1CCCOC1 ZINC001571234545 953203157 /nfs/dbraw/zinc/20/31/57/953203157.db2.gz BJIQCPBQBWCFFD-CMPLNLGQSA-N -1 1 383.861 1.710 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CC[C@@H]1[C@H]1CCCOC1 ZINC001571234545 953203159 /nfs/dbraw/zinc/20/31/59/953203159.db2.gz BJIQCPBQBWCFFD-CMPLNLGQSA-N -1 1 383.861 1.710 20 0 GDADMM C[C@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571234706 953204392 /nfs/dbraw/zinc/20/43/92/953204392.db2.gz GJEMAPYXDLGMQS-LURQLKTLSA-N -1 1 383.865 1.461 20 0 GDADMM C[C@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571234706 953204395 /nfs/dbraw/zinc/20/43/95/953204395.db2.gz GJEMAPYXDLGMQS-LURQLKTLSA-N -1 1 383.865 1.461 20 0 GDADMM CC(=O)N1C[C@@H](C)O[C@]2(CCN(c3nc(-c4nn[n-]n4)c(Cl)s3)C2)C1 ZINC001571234888 953207002 /nfs/dbraw/zinc/20/70/02/953207002.db2.gz LVZKLNUJUZPBNM-CLAHSXSESA-N -1 1 383.865 1.193 20 0 GDADMM CCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)CC(F)(F)F)CC1 ZINC001571235311 953211178 /nfs/dbraw/zinc/21/11/78/953211178.db2.gz ZVEXFADPIWYMHA-UHFFFAOYSA-N -1 1 384.366 1.214 20 0 GDADMM COc1cccc2c1OCCC[C@H]2NC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001571238152 953226609 /nfs/dbraw/zinc/22/66/09/953226609.db2.gz VNKRCZSGSXXGMU-ZYHUDNBSSA-N -1 1 384.400 1.058 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@H]2CCCN2C(=O)C2=COCCC2)n1 ZINC001571242556 953258132 /nfs/dbraw/zinc/25/81/32/953258132.db2.gz IYGXHDBOXMPLMC-CQSZACIVSA-N -1 1 384.444 1.087 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@H]2CCCN2C(=O)C2=COCCC2)n1 ZINC001571242556 953258136 /nfs/dbraw/zinc/25/81/36/953258136.db2.gz IYGXHDBOXMPLMC-CQSZACIVSA-N -1 1 384.444 1.087 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@@H]2CCCN(C(=O)c3cccs3)C2)n1 ZINC001571244676 953265890 /nfs/dbraw/zinc/26/58/90/953265890.db2.gz DLWSOMNYMRBYPX-GFCCVEGCSA-N -1 1 384.469 1.768 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@@H]2CCCN(C(=O)c3cccs3)C2)n1 ZINC001571244676 953265893 /nfs/dbraw/zinc/26/58/93/953265893.db2.gz DLWSOMNYMRBYPX-GFCCVEGCSA-N -1 1 384.469 1.768 20 0 GDADMM Cc1csc(C(=O)N2CCC(CNc3cncc(-c4nnn[n-]4)n3)CC2)c1 ZINC001571244765 953266903 /nfs/dbraw/zinc/26/69/03/953266903.db2.gz HRSOSODFPZPORY-UHFFFAOYSA-N -1 1 384.469 1.991 20 0 GDADMM Cc1csc(C(=O)N2CCC(CNc3cncc(-c4nn[n-]n4)n3)CC2)c1 ZINC001571244765 953266907 /nfs/dbraw/zinc/26/69/07/953266907.db2.gz HRSOSODFPZPORY-UHFFFAOYSA-N -1 1 384.469 1.991 20 0 GDADMM Cc1csc(C(=O)N[C@@H]2CC[C@@H](C)N(c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571244919 953268302 /nfs/dbraw/zinc/26/83/02/953268302.db2.gz MATBWLFAZPYRLL-VXGBXAGGSA-N -1 1 384.469 1.814 20 0 GDADMM Cc1csc(C(=O)N[C@@H]2CC[C@@H](C)N(c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571244919 953268304 /nfs/dbraw/zinc/26/83/04/953268304.db2.gz MATBWLFAZPYRLL-VXGBXAGGSA-N -1 1 384.469 1.814 20 0 GDADMM CCc1ccc(C(=O)N2CCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)s1 ZINC001571245034 953269941 /nfs/dbraw/zinc/26/99/41/953269941.db2.gz MLKUWELPMMVLQU-NSHDSACASA-N -1 1 384.469 1.419 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001571245427 953273950 /nfs/dbraw/zinc/27/39/50/953273950.db2.gz IGRUGIAATHRQNP-NEPJUHHUSA-N -1 1 384.469 1.347 20 0 GDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)NC[C@]1(CO)C[C@H]1c1ccccc1 ZINC001571246061 953279022 /nfs/dbraw/zinc/27/90/22/953279022.db2.gz RNVAWRPGQXVPKN-KSSFIOAISA-N -1 1 384.465 1.894 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)c1cccs1 ZINC001571246166 953280773 /nfs/dbraw/zinc/28/07/73/953280773.db2.gz VHMGTLCFMCPAHS-IJLUTSLNSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)c1cccs1 ZINC001571246166 953280774 /nfs/dbraw/zinc/28/07/74/953280774.db2.gz VHMGTLCFMCPAHS-IJLUTSLNSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccsc1 ZINC001571246305 953282305 /nfs/dbraw/zinc/28/23/05/953282305.db2.gz XSIYGCIDRLPEEI-YPMHNXCESA-N -1 1 384.469 1.347 20 0 GDADMM Cc1scc(C(=O)N2C[C@H](C)[C@H](Nc3nccnc3-c3nnn[n-]3)C2)c1C ZINC001571247812 953286450 /nfs/dbraw/zinc/28/64/50/953286450.db2.gz FMUDNQDBWGXALN-TVQRCGJNSA-N -1 1 384.469 1.908 20 0 GDADMM Cc1scc(C(=O)N2C[C@H](C)[C@H](Nc3nccnc3-c3nn[n-]n3)C2)c1C ZINC001571247812 953286454 /nfs/dbraw/zinc/28/64/54/953286454.db2.gz FMUDNQDBWGXALN-TVQRCGJNSA-N -1 1 384.469 1.908 20 0 GDADMM Cc1nsc(N2CC[C@H](NC(=O)c3c[nH]cc3C3CC3)C2)c1-c1nn[n-]n1 ZINC001571247902 953287624 /nfs/dbraw/zinc/28/76/24/953287624.db2.gz HYCUPQDXYREIGF-NSHDSACASA-N -1 1 384.469 1.846 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CCCC1 ZINC001571249038 953300422 /nfs/dbraw/zinc/30/04/22/953300422.db2.gz BOKRCNYUMBKWBL-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CCCC1 ZINC001571249038 953300425 /nfs/dbraw/zinc/30/04/25/953300425.db2.gz BOKRCNYUMBKWBL-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)C[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571249063 953300675 /nfs/dbraw/zinc/30/06/75/953300675.db2.gz CEUTWCQHQHHDPL-RBSFLKMASA-N -1 1 384.488 1.672 20 0 GDADMM C[C@@H]1CC[C@H](NC(=O)CC2CC(C)(C)C2)CN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571249126 953301316 /nfs/dbraw/zinc/30/13/16/953301316.db2.gz DLJDEWVNUFBTAG-OCCSQVGLSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@@H]1CC[C@H](NC(=O)CC2CC(C)(C)C2)CN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571249126 953301320 /nfs/dbraw/zinc/30/13/20/953301320.db2.gz DLJDEWVNUFBTAG-OCCSQVGLSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H]1CC[C@@H](NC(=O)CC2CC(C)(C)C2)CN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571249124 953301630 /nfs/dbraw/zinc/30/16/30/953301630.db2.gz DLJDEWVNUFBTAG-GXTWGEPZSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H]1CC[C@@H](NC(=O)CC2CC(C)(C)C2)CN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571249124 953301634 /nfs/dbraw/zinc/30/16/34/953301634.db2.gz DLJDEWVNUFBTAG-GXTWGEPZSA-N -1 1 384.488 1.957 20 0 GDADMM CC(C)(C)C(=O)N1CCC[C@@H]([C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571249243 953302296 /nfs/dbraw/zinc/30/22/96/953302296.db2.gz GPHBASZHYAGDQQ-KGLIPLIRSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)(C)C(=O)N1CCC[C@@H]([C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571249243 953302298 /nfs/dbraw/zinc/30/22/98/953302298.db2.gz GPHBASZHYAGDQQ-KGLIPLIRSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)(C)C(=O)N1CCC[C@@H]([C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571249245 953302390 /nfs/dbraw/zinc/30/23/90/953302390.db2.gz GPHBASZHYAGDQQ-ZIAGYGMSSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)(C)C(=O)N1CCC[C@@H]([C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571249245 953302394 /nfs/dbraw/zinc/30/23/94/953302394.db2.gz GPHBASZHYAGDQQ-ZIAGYGMSSA-N -1 1 384.488 1.768 20 0 GDADMM CC1(C)CC(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2(C)C)C1 ZINC001571249234 953302998 /nfs/dbraw/zinc/30/29/98/953302998.db2.gz GNLSGMYNPWCLFX-AWEZNQCLSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)CC(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2(C)C)C1 ZINC001571249234 953303003 /nfs/dbraw/zinc/30/30/03/953303003.db2.gz GNLSGMYNPWCLFX-AWEZNQCLSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)CN(c2cncc(-c3nnn[n-]3)n2)CC[C@H]1NC(=O)C1CCCCC1 ZINC001571249331 953304017 /nfs/dbraw/zinc/30/40/17/953304017.db2.gz HQFONUOBDDIPAN-OAHLLOKOSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CN(c2cncc(-c3nn[n-]n3)n2)CC[C@H]1NC(=O)C1CCCCC1 ZINC001571249331 953304021 /nfs/dbraw/zinc/30/40/21/953304021.db2.gz HQFONUOBDDIPAN-OAHLLOKOSA-N -1 1 384.488 1.958 20 0 GDADMM CC[C@H]1CCC[C@H]1C(=O)N1CCC(N(C)c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571249362 953304892 /nfs/dbraw/zinc/30/48/92/953304892.db2.gz HZABWKSRGLBZKP-DZGCQCFKSA-N -1 1 384.488 1.910 20 0 GDADMM CC[C@H]1CCC[C@H]1C(=O)N1CCC(N(C)c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571249362 953304897 /nfs/dbraw/zinc/30/48/97/953304897.db2.gz HZABWKSRGLBZKP-DZGCQCFKSA-N -1 1 384.488 1.910 20 0 GDADMM CC1(C)CCC(C(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571250283 953310206 /nfs/dbraw/zinc/31/02/06/953310206.db2.gz PZZVYMZFBGXVPN-CQSZACIVSA-N -1 1 384.488 1.698 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1)C1CCC1 ZINC001571250506 953311523 /nfs/dbraw/zinc/31/15/23/953311523.db2.gz QJXNRDUJUQKTMW-HIFRSBDPSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CN(C(=O)[C@@H]2CC[C@@H](C)CC2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571250807 953313727 /nfs/dbraw/zinc/31/37/27/953313727.db2.gz SSVNBSBTJUUGBW-AJNGGQMLSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H]1CN(C(=O)[C@@H]2CC[C@@H](C)CC2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571250807 953313729 /nfs/dbraw/zinc/31/37/29/953313729.db2.gz SSVNBSBTJUUGBW-AJNGGQMLSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)CC2CC(C)(C)C2)C1 ZINC001571251135 953314248 /nfs/dbraw/zinc/31/42/48/953314248.db2.gz WEVVPAIKCFJBIM-JSGCOSHPSA-N -1 1 384.488 1.554 20 0 GDADMM CN(C[C@H]1CCN(C(=O)CC(C)(C)C2CC2)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571251948 953321205 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ZINC000288492468 532292818 /nfs/dbraw/zinc/29/28/18/532292818.db2.gz SFBLEWZNQVFJCL-UHFFFAOYSA-N -1 1 383.202 1.094 20 0 GDADMM CCc1ccc(S(=O)(=O)Nc2ccc(S(C)(=O)=O)nc2)cc1C(=O)[O-] ZINC000392749083 532300057 /nfs/dbraw/zinc/30/00/57/532300057.db2.gz YODVBFJEHMDMSA-UHFFFAOYSA-N -1 1 384.435 1.547 20 0 GDADMM CSc1nnc(C[N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)s1 ZINC000275614878 532302605 /nfs/dbraw/zinc/30/26/05/532302605.db2.gz NRKFIEWYUJDHPP-UHFFFAOYSA-N -1 1 393.537 1.450 20 0 GDADMM CC[C@@H]1[C@H](C)CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(F)cn1 ZINC000349456435 532290192 /nfs/dbraw/zinc/29/01/92/532290192.db2.gz JBFOWLTYMRYXHO-TZMCWYRMSA-N -1 1 393.506 1.803 20 0 GDADMM C[C@@H](Cn1cncn1)NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000289471893 532325521 /nfs/dbraw/zinc/32/55/21/532325521.db2.gz JBKOVBVUQVVICT-VIFPVBQESA-N -1 1 392.268 1.068 20 0 GDADMM CCOC(=O)c1csc(CC[N-]S(=O)(=O)c2ccc(C(=O)OC)o2)n1 ZINC000276411912 532329025 /nfs/dbraw/zinc/32/90/25/532329025.db2.gz UTUZWUBBFBNUEZ-UHFFFAOYSA-N -1 1 388.423 1.220 20 0 GDADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N1CCC[C@@H](CO)C1 ZINC000290029375 532335498 /nfs/dbraw/zinc/33/54/98/532335498.db2.gz BSOVXDDNNWDZLY-SNVBAGLBSA-N -1 1 381.281 1.503 20 0 GDADMM Cn1nnnc1COC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000737626016 598845446 /nfs/dbraw/zinc/84/54/46/598845446.db2.gz FEJABSQTRMWRLP-UHFFFAOYSA-N -1 1 396.342 1.679 20 0 GDADMM Cn1nnnc1COC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000737626016 598845447 /nfs/dbraw/zinc/84/54/47/598845447.db2.gz FEJABSQTRMWRLP-UHFFFAOYSA-N -1 1 396.342 1.679 20 0 GDADMM Cn1cc([C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cn1 ZINC000737605303 598845820 /nfs/dbraw/zinc/84/58/20/598845820.db2.gz MBBPSEJZBBLVPJ-LBPRGKRZSA-N -1 1 377.405 1.265 20 0 GDADMM Cn1cc([C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cn1 ZINC000737605303 598845821 /nfs/dbraw/zinc/84/58/21/598845821.db2.gz MBBPSEJZBBLVPJ-LBPRGKRZSA-N -1 1 377.405 1.265 20 0 GDADMM FC(F)(F)c1nnc2n1CCN(c1snc(Cl)c1-c1nnn[n-]1)C2 ZINC000737638624 598857052 /nfs/dbraw/zinc/85/70/52/598857052.db2.gz HHHAPUVOFPUSMN-UHFFFAOYSA-N -1 1 377.743 1.607 20 0 GDADMM FC(F)(F)c1nnc2n1CCN(c1snc(Cl)c1-c1nn[n-]n1)C2 ZINC000737638624 598857054 /nfs/dbraw/zinc/85/70/54/598857054.db2.gz HHHAPUVOFPUSMN-UHFFFAOYSA-N -1 1 377.743 1.607 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCOC[C@H]1CC(C)C ZINC000737198557 598865755 /nfs/dbraw/zinc/86/57/55/598865755.db2.gz AWJXIBXGKOYWKT-CQSZACIVSA-N -1 1 388.472 1.790 20 0 GDADMM CCNC(=O)[C@H](C)NC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000736575207 598888978 /nfs/dbraw/zinc/88/89/78/598888978.db2.gz YZTABBDGENHAFQ-NSHDSACASA-N -1 1 399.480 1.919 20 0 GDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000737487202 598913243 /nfs/dbraw/zinc/91/32/43/598913243.db2.gz GJCROYHWLVMGGB-UHFFFAOYSA-N -1 1 378.396 1.091 20 0 GDADMM NC(=O)[C@@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)Cc1ccc(F)cc1 ZINC000737729655 598937261 /nfs/dbraw/zinc/93/72/61/598937261.db2.gz AHOKWTFAWXDDAE-GFCCVEGCSA-N -1 1 392.398 1.705 20 0 GDADMM NC(=O)[C@@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)Cc1ccc(F)cc1 ZINC000737729655 598937262 /nfs/dbraw/zinc/93/72/62/598937262.db2.gz AHOKWTFAWXDDAE-GFCCVEGCSA-N -1 1 392.398 1.705 20 0 GDADMM Cc1cc([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)ccc1C(=O)N(C)C ZINC000737281197 598950387 /nfs/dbraw/zinc/95/03/87/598950387.db2.gz RIKXOJHOWXMYQP-UHFFFAOYSA-N -1 1 386.437 1.678 20 0 GDADMM CSCC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1nnc2ccccn21 ZINC000737180634 598985510 /nfs/dbraw/zinc/98/55/10/598985510.db2.gz HERWCTTZGMMICK-CYBMUJFWSA-N -1 1 395.452 1.529 20 0 GDADMM CSCC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1nnc2ccccn21 ZINC000737180634 598985513 /nfs/dbraw/zinc/98/55/13/598985513.db2.gz HERWCTTZGMMICK-CYBMUJFWSA-N -1 1 395.452 1.529 20 0 GDADMM O=C(Nc1ccccc1)[C@H]1CSCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738192636 598988736 /nfs/dbraw/zinc/98/87/36/598988736.db2.gz UADUUNWIENZBKY-CQSZACIVSA-N -1 1 381.421 1.416 20 0 GDADMM O=C(Nc1ccccc1)[C@H]1CSCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738192636 598988738 /nfs/dbraw/zinc/98/87/38/598988738.db2.gz UADUUNWIENZBKY-CQSZACIVSA-N -1 1 381.421 1.416 20 0 GDADMM COc1ccc(C(=O)N2CCCC2)cc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737067172 598999008 /nfs/dbraw/zinc/99/90/08/598999008.db2.gz RVPBWEWOJKLFBG-UHFFFAOYSA-N -1 1 393.407 1.759 20 0 GDADMM COc1ccc(C(=O)N2CCCC2)cc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737067172 598999010 /nfs/dbraw/zinc/99/90/10/598999010.db2.gz RVPBWEWOJKLFBG-UHFFFAOYSA-N -1 1 393.407 1.759 20 0 GDADMM O=C(Nc1cccc(F)c1)[C@H]1CSCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738185412 599005273 /nfs/dbraw/zinc/00/52/73/599005273.db2.gz XDTKYRFNFONQNT-CQSZACIVSA-N -1 1 399.411 1.555 20 0 GDADMM O=C(Nc1cccc(F)c1)[C@H]1CSCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738185412 599005275 /nfs/dbraw/zinc/00/52/75/599005275.db2.gz XDTKYRFNFONQNT-CQSZACIVSA-N -1 1 399.411 1.555 20 0 GDADMM Cc1noc(COc2ccc(OC(=O)c3ccc(-c4nnn[n-]4)nc3)cc2)n1 ZINC000737547389 599018139 /nfs/dbraw/zinc/01/81/39/599018139.db2.gz UMHIABYLMYQTRU-UHFFFAOYSA-N -1 1 379.336 1.751 20 0 GDADMM Cc1noc(COc2ccc(OC(=O)c3ccc(-c4nn[n-]n4)nc3)cc2)n1 ZINC000737547389 599018141 /nfs/dbraw/zinc/01/81/41/599018141.db2.gz UMHIABYLMYQTRU-UHFFFAOYSA-N -1 1 379.336 1.751 20 0 GDADMM O=C(N[C@H]1CCCN(Cc2c(F)cccc2F)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738027328 599031771 /nfs/dbraw/zinc/03/17/71/599031771.db2.gz ZWZRAGJLYDOZFE-ZDUSSCGKSA-N -1 1 399.405 1.934 20 0 GDADMM O=C(N[C@H]1CCCN(Cc2c(F)cccc2F)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738027328 599031773 /nfs/dbraw/zinc/03/17/73/599031773.db2.gz ZWZRAGJLYDOZFE-ZDUSSCGKSA-N -1 1 399.405 1.934 20 0 GDADMM CCN(C(=O)c1ccc(-c2nnn[n-]2)nc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000736506482 599030942 /nfs/dbraw/zinc/03/09/42/599030942.db2.gz ZMLSMDYBIAEECU-INIZCTEOSA-N -1 1 377.408 1.529 20 0 GDADMM CCN(C(=O)c1ccc(-c2nn[n-]n2)nc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000736506482 599030944 /nfs/dbraw/zinc/03/09/44/599030944.db2.gz ZMLSMDYBIAEECU-INIZCTEOSA-N -1 1 377.408 1.529 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000737199436 599039782 /nfs/dbraw/zinc/03/97/82/599039782.db2.gz HBCHGEFQZAXPLC-MAZHCROVSA-N -1 1 386.456 1.446 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738026041 599085933 /nfs/dbraw/zinc/08/59/33/599085933.db2.gz PVILBUPUXQFWKW-CQSZACIVSA-N -1 1 397.826 1.841 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738026041 599085935 /nfs/dbraw/zinc/08/59/35/599085935.db2.gz PVILBUPUXQFWKW-CQSZACIVSA-N -1 1 397.826 1.841 20 0 GDADMM C[C@@H]1C[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C(=O)N1c1cnn(C)c1 ZINC000820668141 599098543 /nfs/dbraw/zinc/09/85/43/599098543.db2.gz QDOGDYNXUAPVQM-HTRCEHHLSA-N -1 1 379.837 1.316 20 0 GDADMM C[C@@H]1C[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C(=O)N1c1cnn(C)c1 ZINC000820668141 599098546 /nfs/dbraw/zinc/09/85/46/599098546.db2.gz QDOGDYNXUAPVQM-HTRCEHHLSA-N -1 1 379.837 1.316 20 0 GDADMM CCCOC(=O)[C@@H](C)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000736487513 599131045 /nfs/dbraw/zinc/13/10/45/599131045.db2.gz HFCUDUARLIMGHM-LLVKDONJSA-N -1 1 375.433 1.196 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000736159567 599134248 /nfs/dbraw/zinc/13/42/48/599134248.db2.gz WQYVQWCGHKTLIG-GHMZBOCLSA-N -1 1 384.371 1.824 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000736159567 599134249 /nfs/dbraw/zinc/13/42/49/599134249.db2.gz WQYVQWCGHKTLIG-GHMZBOCLSA-N -1 1 384.371 1.824 20 0 GDADMM COc1ccc(OC)c(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737109669 599138765 /nfs/dbraw/zinc/13/87/65/599138765.db2.gz LPBMUZVHYUJHAI-SNVBAGLBSA-N -1 1 398.379 1.463 20 0 GDADMM COc1ccc(OC)c(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737109669 599138767 /nfs/dbraw/zinc/13/87/67/599138767.db2.gz LPBMUZVHYUJHAI-SNVBAGLBSA-N -1 1 398.379 1.463 20 0 GDADMM COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737143027 599141188 /nfs/dbraw/zinc/14/11/88/599141188.db2.gz RQOJGVSMFWTIKQ-VXGBXAGGSA-N -1 1 396.407 1.693 20 0 GDADMM COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737143027 599141191 /nfs/dbraw/zinc/14/11/91/599141191.db2.gz RQOJGVSMFWTIKQ-VXGBXAGGSA-N -1 1 396.407 1.693 20 0 GDADMM Cc1ccccc1[C@H](C)NC(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737422943 599141612 /nfs/dbraw/zinc/14/16/12/599141612.db2.gz PQTNNWSUVAEKHO-STQMWFEESA-N -1 1 380.408 1.993 20 0 GDADMM Cc1ccccc1[C@H](C)NC(=O)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737422943 599141613 /nfs/dbraw/zinc/14/16/13/599141613.db2.gz PQTNNWSUVAEKHO-STQMWFEESA-N -1 1 380.408 1.993 20 0 GDADMM Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737422933 599141736 /nfs/dbraw/zinc/14/17/36/599141736.db2.gz PQTNNWSUVAEKHO-CHWSQXEVSA-N -1 1 380.408 1.993 20 0 GDADMM Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737422933 599141738 /nfs/dbraw/zinc/14/17/38/599141738.db2.gz PQTNNWSUVAEKHO-CHWSQXEVSA-N -1 1 380.408 1.993 20 0 GDADMM Cc1ccc(-c2nn[nH]n2)cc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000737296299 599167368 /nfs/dbraw/zinc/16/73/68/599167368.db2.gz IZVBSOCHTDVACX-UHFFFAOYSA-N -1 1 384.421 1.262 20 0 GDADMM O=c1c(-c2nn[n-]n2)cn(CCn2cncn2)c2ccc(Br)cc12 ZINC000738372795 599167666 /nfs/dbraw/zinc/16/76/66/599167666.db2.gz WAYWXDDJCZIFRK-UHFFFAOYSA-N -1 1 387.201 1.236 20 0 GDADMM Cc1c(C[S@](C)=O)cccc1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000737215932 599197491 /nfs/dbraw/zinc/19/74/91/599197491.db2.gz OZKFCMFTIGDQDC-VWLOTQADSA-N -1 1 391.478 1.854 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H](C)CCc1cccn1C ZINC000737198798 599226680 /nfs/dbraw/zinc/22/66/80/599226680.db2.gz DKZCGOALPTXLFI-GFCCVEGCSA-N -1 1 397.483 1.993 20 0 GDADMM O=C([O-])C[C@@H]1CCCN(CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000532880991 597075294 /nfs/dbraw/zinc/07/52/94/597075294.db2.gz ISVJLSSQWNNQHV-IVKJLDKCSA-N -1 1 377.485 1.968 20 0 GDADMM O=C1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c2ccccc2N1 ZINC000823530051 599303313 /nfs/dbraw/zinc/30/33/13/599303313.db2.gz AXYHNKSNVLQFKZ-UHFFFAOYSA-N -1 1 388.384 1.543 20 0 GDADMM O=C1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c2ccccc2N1 ZINC000823530051 599303315 /nfs/dbraw/zinc/30/33/15/599303315.db2.gz AXYHNKSNVLQFKZ-UHFFFAOYSA-N -1 1 388.384 1.543 20 0 GDADMM O=C([O-])C1(NCC(=O)NCc2ccccc2CN2CCOCC2)CCCC1 ZINC000533202502 597317858 /nfs/dbraw/zinc/31/78/58/597317858.db2.gz DPLUBZFZLPUMKW-UHFFFAOYSA-N -1 1 375.469 1.122 20 0 GDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1cccc(-c2nn[nH]n2)c1C ZINC000822459548 607321495 /nfs/dbraw/zinc/32/14/95/607321495.db2.gz RULMZXVWIYTPEA-UHFFFAOYSA-N -1 1 378.396 1.721 20 0 GDADMM CCCOc1cccc(CCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000821139351 607331853 /nfs/dbraw/zinc/33/18/53/607331853.db2.gz VDXOSGDVXGXXMX-UHFFFAOYSA-N -1 1 388.453 1.572 20 0 GDADMM CCCOc1cccc(CCNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000821139351 607331854 /nfs/dbraw/zinc/33/18/54/607331854.db2.gz VDXOSGDVXGXXMX-UHFFFAOYSA-N -1 1 388.453 1.572 20 0 GDADMM O=S(=O)(NCc1ccc(C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344834 598262831 /nfs/dbraw/zinc/26/28/31/598262831.db2.gz JKMPGVBPTCAYKP-UHFFFAOYSA-N -1 1 384.343 1.759 20 0 GDADMM O=S(=O)(NCc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738344834 598262833 /nfs/dbraw/zinc/26/28/33/598262833.db2.gz JKMPGVBPTCAYKP-UHFFFAOYSA-N -1 1 384.343 1.759 20 0 GDADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1OC(F)F ZINC000736129623 598263401 /nfs/dbraw/zinc/26/34/01/598263401.db2.gz HJCRWCSZPXDUHN-SECBINFHSA-N -1 1 396.379 1.903 20 0 GDADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1OC(F)F ZINC000736129623 598263402 /nfs/dbraw/zinc/26/34/02/598263402.db2.gz HJCRWCSZPXDUHN-SECBINFHSA-N -1 1 396.379 1.903 20 0 GDADMM O=S(=O)(NC[C@@H]1CCN(c2ccccc2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344646 598269321 /nfs/dbraw/zinc/26/93/21/598269321.db2.gz ZGKZLWLNZTVPNH-ZDUSSCGKSA-N -1 1 385.453 1.067 20 0 GDADMM O=S(=O)(NC[C@@H]1CCN(c2ccccc2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738344646 598269323 /nfs/dbraw/zinc/26/93/23/598269323.db2.gz ZGKZLWLNZTVPNH-ZDUSSCGKSA-N -1 1 385.453 1.067 20 0 GDADMM CN1C(=O)CCc2cc([N-]S(=O)(=O)c3cccc(-c4nn[nH]n4)c3)ccc21 ZINC000736844459 598283150 /nfs/dbraw/zinc/28/31/50/598283150.db2.gz BKZDNDZARJWRQD-UHFFFAOYSA-N -1 1 384.421 1.577 20 0 GDADMM Clc1ccccc1OCCN1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000737584580 598341033 /nfs/dbraw/zinc/34/10/33/598341033.db2.gz TVYHGSIVBLTMMR-UHFFFAOYSA-N -1 1 386.847 1.511 20 0 GDADMM Clc1ccccc1OCCN1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000737584580 598341035 /nfs/dbraw/zinc/34/10/35/598341035.db2.gz TVYHGSIVBLTMMR-UHFFFAOYSA-N -1 1 386.847 1.511 20 0 GDADMM CN(Cc1ccccc1)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000736828612 598345603 /nfs/dbraw/zinc/34/56/03/598345603.db2.gz PJISIZMVUJZEHN-UHFFFAOYSA-N -1 1 379.428 1.031 20 0 GDADMM CN(Cc1ccccc1)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000736828612 598345605 /nfs/dbraw/zinc/34/56/05/598345605.db2.gz PJISIZMVUJZEHN-UHFFFAOYSA-N -1 1 379.428 1.031 20 0 GDADMM Clc1ccc([C@@H](CNc2nccnc2-c2nnn[n-]2)N2CCOCC2)cc1 ZINC000737571111 598350266 /nfs/dbraw/zinc/35/02/66/598350266.db2.gz SANAGPAWXMYSNF-CQSZACIVSA-N -1 1 386.847 1.796 20 0 GDADMM Clc1ccc([C@@H](CNc2nccnc2-c2nn[n-]n2)N2CCOCC2)cc1 ZINC000737571111 598350268 /nfs/dbraw/zinc/35/02/68/598350268.db2.gz SANAGPAWXMYSNF-CQSZACIVSA-N -1 1 386.847 1.796 20 0 GDADMM O=C(CNc1snc(Cl)c1-c1nnn[n-]1)N1CCc2ccccc2C1 ZINC000737899272 598353689 /nfs/dbraw/zinc/35/36/89/598353689.db2.gz DUPSASQZJLWPHH-UHFFFAOYSA-N -1 1 375.845 1.973 20 0 GDADMM O=C(CNc1snc(Cl)c1-c1nn[n-]n1)N1CCc2ccccc2C1 ZINC000737899272 598353691 /nfs/dbraw/zinc/35/36/91/598353691.db2.gz DUPSASQZJLWPHH-UHFFFAOYSA-N -1 1 375.845 1.973 20 0 GDADMM C[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1csc2ccccc21 ZINC000736139801 598362703 /nfs/dbraw/zinc/36/27/03/598362703.db2.gz RBNWUAYWKDPVTF-VIFPVBQESA-N -1 1 383.437 1.652 20 0 GDADMM CCc1nn(C[C@H](O)COc2c(C)cccc2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706642 598373918 /nfs/dbraw/zinc/37/39/18/598373918.db2.gz YMLZDYUQIIJWLI-AWEZNQCLSA-N -1 1 398.467 1.605 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)Nc1ccc(F)cn1 ZINC000737486790 598374556 /nfs/dbraw/zinc/37/45/56/598374556.db2.gz DZQUHGYYRYCXBZ-UHFFFAOYSA-N -1 1 381.375 1.632 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)Nc1ccc(F)cn1 ZINC000737486790 598374557 /nfs/dbraw/zinc/37/45/57/598374557.db2.gz DZQUHGYYRYCXBZ-UHFFFAOYSA-N -1 1 381.375 1.632 20 0 GDADMM CCc1nn(CC(=O)Nc2ccc(Cl)cn2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706523 598377772 /nfs/dbraw/zinc/37/77/72/598377772.db2.gz XFSZCCMYYRUEGD-UHFFFAOYSA-N -1 1 388.819 1.235 20 0 GDADMM O=C(COC(=O)C[C@@H]1CCCO1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000737904357 598408856 /nfs/dbraw/zinc/40/88/56/598408856.db2.gz BQZMXDROHXIUDF-ZDUSSCGKSA-N -1 1 397.395 1.103 20 0 GDADMM O=C(COC(=O)C[C@@H]1CCCO1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737904357 598408860 /nfs/dbraw/zinc/40/88/60/598408860.db2.gz BQZMXDROHXIUDF-ZDUSSCGKSA-N -1 1 397.395 1.103 20 0 GDADMM C[C@H](CC(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1)C1CC1 ZINC000735977435 598409161 /nfs/dbraw/zinc/40/91/61/598409161.db2.gz OLUNMWOLGMPLKZ-GFCCVEGCSA-N -1 1 395.423 1.970 20 0 GDADMM C[C@H](CC(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1)C1CC1 ZINC000735977435 598409162 /nfs/dbraw/zinc/40/91/62/598409162.db2.gz OLUNMWOLGMPLKZ-GFCCVEGCSA-N -1 1 395.423 1.970 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@H](C)c2nc(C)cs2)cc1-c1nn[n-]n1 ZINC000737185815 598530479 /nfs/dbraw/zinc/53/04/79/598530479.db2.gz CYOINYLKSUTQFQ-SSDOTTSWSA-N -1 1 377.455 1.945 20 0 GDADMM COCCN1C(=O)c2ccccc2N[C@@H]1c1cnc2c(-c3nnn[n-]3)cnn2c1 ZINC000737008819 598543775 /nfs/dbraw/zinc/54/37/75/598543775.db2.gz VLAMHIXADXLCBI-INIZCTEOSA-N -1 1 391.395 1.122 20 0 GDADMM COCCN1C(=O)c2ccccc2N[C@@H]1c1cnc2c(-c3nn[n-]n3)cnn2c1 ZINC000737008819 598543776 /nfs/dbraw/zinc/54/37/76/598543776.db2.gz VLAMHIXADXLCBI-INIZCTEOSA-N -1 1 391.395 1.122 20 0 GDADMM CCc1nn(CC(=O)Nc2cccc(C)c2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705836 598641808 /nfs/dbraw/zinc/64/18/08/598641808.db2.gz PTONCDYTJLUYAC-UHFFFAOYSA-N -1 1 381.440 1.804 20 0 GDADMM CCc1nn(CC(=O)N(C)[C@@H](C)CC(C)C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705663 598642080 /nfs/dbraw/zinc/64/20/80/598642080.db2.gz NKCDYVBWJOIRLA-LBPRGKRZSA-N -1 1 375.477 1.441 20 0 GDADMM CCc1nn(CCCOc2ccc3c(c2)OCO3)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705780 598642208 /nfs/dbraw/zinc/64/22/08/598642208.db2.gz OVPYZGOROBVEOS-UHFFFAOYSA-N -1 1 398.423 1.746 20 0 GDADMM COC(=O)c1ccc(C)c(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000736952338 598690149 /nfs/dbraw/zinc/69/01/49/598690149.db2.gz XKLNNUHOXHISHJ-UHFFFAOYSA-N -1 1 392.368 1.869 20 0 GDADMM COCCN(Cc1ccco1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737005959 598690266 /nfs/dbraw/zinc/69/02/66/598690266.db2.gz DDIKSKLHUPJPSX-UHFFFAOYSA-N -1 1 381.389 1.436 20 0 GDADMM CS(=O)(=O)[N-]c1ccsc1C(=O)OCc1ccc(F)cc1-c1nn[nH]n1 ZINC000737172615 598707926 /nfs/dbraw/zinc/70/79/26/598707926.db2.gz DKUBEYWKVYWCCC-UHFFFAOYSA-N -1 1 397.413 1.796 20 0 GDADMM COCCN(CC(F)F)C(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000736995593 598737506 /nfs/dbraw/zinc/73/75/06/598737506.db2.gz UMPSIWPQQCNQHD-UHFFFAOYSA-N -1 1 380.355 1.913 20 0 GDADMM COCCN(CC(F)F)C(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000736995593 598737507 /nfs/dbraw/zinc/73/75/07/598737507.db2.gz UMPSIWPQQCNQHD-UHFFFAOYSA-N -1 1 380.355 1.913 20 0 GDADMM CCc1noc([C@H](C)N2CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)n1 ZINC000736712041 598749008 /nfs/dbraw/zinc/74/90/08/598749008.db2.gz ACJVLXLZODTPMF-JTQLQIEISA-N -1 1 389.851 1.744 20 0 GDADMM CCc1noc([C@H](C)N2CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)n1 ZINC000736712041 598749010 /nfs/dbraw/zinc/74/90/10/598749010.db2.gz ACJVLXLZODTPMF-JTQLQIEISA-N -1 1 389.851 1.744 20 0 GDADMM COC(=O)c1cc(C)ccc1OS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736940587 598768304 /nfs/dbraw/zinc/76/83/04/598768304.db2.gz MEMZHIYZPUKEME-UHFFFAOYSA-N -1 1 392.368 1.869 20 0 GDADMM O=C(CCCn1ccnc1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000737835303 598817865 /nfs/dbraw/zinc/81/78/65/598817865.db2.gz GEPVVAXHGKNXQP-UHFFFAOYSA-N -1 1 397.443 1.058 20 0 GDADMM CC(C)c1nc([C@H]2CCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)no1 ZINC000735939466 599293129 /nfs/dbraw/zinc/29/31/29/599293129.db2.gz JBKZZMTUYXZKIK-GFCCVEGCSA-N -1 1 390.429 1.294 20 0 GDADMM CC(C)c1nc([C@H]2CCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)no1 ZINC000735939466 599293134 /nfs/dbraw/zinc/29/31/34/599293134.db2.gz JBKZZMTUYXZKIK-GFCCVEGCSA-N -1 1 390.429 1.294 20 0 GDADMM CC(C)(C)[C@@H]1OCCC[C@@H]1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735598054 599323004 /nfs/dbraw/zinc/32/30/04/599323004.db2.gz WUWZPSVQTPPOFF-BXUZGUMPSA-N -1 1 380.474 1.381 20 0 GDADMM CC(C)(C)[C@@H]1OCCC[C@@H]1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735598054 599323007 /nfs/dbraw/zinc/32/30/07/599323007.db2.gz WUWZPSVQTPPOFF-BXUZGUMPSA-N -1 1 380.474 1.381 20 0 GDADMM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)o1 ZINC000821481130 599349359 /nfs/dbraw/zinc/34/93/59/599349359.db2.gz HXYPSZHQGJAVGT-ZDUSSCGKSA-N -1 1 395.416 1.827 20 0 GDADMM Cc1ccc(N2CCC[C@@H](NS(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)C2)cc1 ZINC000822242667 599363875 /nfs/dbraw/zinc/36/38/75/599363875.db2.gz SXISLRMCLGNOSQ-CQSZACIVSA-N -1 1 399.480 1.517 20 0 GDADMM Cc1ccc(N2CCC[C@@H](NS(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)C2)cc1 ZINC000822242667 599363878 /nfs/dbraw/zinc/36/38/78/599363878.db2.gz SXISLRMCLGNOSQ-CQSZACIVSA-N -1 1 399.480 1.517 20 0 GDADMM COC(=O)c1ccc(N2CCN(c3cccc(-c4nnn[n-]4)n3)[C@@H](C)C2)cc1 ZINC000736948940 599422254 /nfs/dbraw/zinc/42/22/54/599422254.db2.gz YPGSJTXNGDJOSR-ZDUSSCGKSA-N -1 1 379.424 1.763 20 0 GDADMM COC(=O)c1ccc(N2CCN(c3cccc(-c4nn[n-]n4)n3)[C@@H](C)C2)cc1 ZINC000736948940 599422257 /nfs/dbraw/zinc/42/22/57/599422257.db2.gz YPGSJTXNGDJOSR-ZDUSSCGKSA-N -1 1 379.424 1.763 20 0 GDADMM CCCCN1C(=S)N[C@@H](c2ccc(-c3nnn[n-]3)o2)C(C(=O)N(C)C)=C1C ZINC000821065686 599492395 /nfs/dbraw/zinc/49/23/95/599492395.db2.gz LULOHFPOVMOYCC-AWEZNQCLSA-N -1 1 389.485 1.853 20 0 GDADMM CCCCN1C(=S)N[C@@H](c2ccc(-c3nn[n-]n3)o2)C(C(=O)N(C)C)=C1C ZINC000821065686 599492398 /nfs/dbraw/zinc/49/23/98/599492398.db2.gz LULOHFPOVMOYCC-AWEZNQCLSA-N -1 1 389.485 1.853 20 0 GDADMM CCc1cnc(CCNC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)s1 ZINC000821497589 599493020 /nfs/dbraw/zinc/49/30/20/599493020.db2.gz XBDMUDYBVASHGS-UHFFFAOYSA-N -1 1 391.482 1.681 20 0 GDADMM CCOC(=O)C1=C(C)N(CCOC)C(=O)N[C@@H]1c1ccc(-c2nnn[n-]2)o1 ZINC000821321471 599493083 /nfs/dbraw/zinc/49/30/83/599493083.db2.gz XVVKUQZUXBEXSK-CYBMUJFWSA-N -1 1 376.373 1.010 20 0 GDADMM CCOC(=O)C1=C(C)N(CCOC)C(=O)N[C@@H]1c1ccc(-c2nn[n-]n2)o1 ZINC000821321471 599493085 /nfs/dbraw/zinc/49/30/85/599493085.db2.gz XVVKUQZUXBEXSK-CYBMUJFWSA-N -1 1 376.373 1.010 20 0 GDADMM CCN1C(=O)N[C@@H](c2ccc(-c3nnn[n-]3)o2)C(C(=O)OCCOC)=C1C ZINC000821240860 599493269 /nfs/dbraw/zinc/49/32/69/599493269.db2.gz JKVLSGRPMCTJHT-ZDUSSCGKSA-N -1 1 376.373 1.010 20 0 GDADMM CCN1C(=O)N[C@@H](c2ccc(-c3nn[n-]n3)o2)C(C(=O)OCCOC)=C1C ZINC000821240860 599493272 /nfs/dbraw/zinc/49/32/72/599493272.db2.gz JKVLSGRPMCTJHT-ZDUSSCGKSA-N -1 1 376.373 1.010 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)NC[C@@](C)(O)C(C)C)c1-c1nn[n-]n1 ZINC000821990109 599497952 /nfs/dbraw/zinc/49/79/52/599497952.db2.gz PWEWVGWEWSEMQK-QGZVFWFLSA-N -1 1 376.486 1.998 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCCC[C@@H]1c1ncon1 ZINC000737201345 599550871 /nfs/dbraw/zinc/55/08/71/599550871.db2.gz RNYQVPPQWUWLQE-CYBMUJFWSA-N -1 1 398.427 1.654 20 0 GDADMM CN(Cc1cc[nH]n1)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000736815186 599593773 /nfs/dbraw/zinc/59/37/73/599593773.db2.gz WQXBFZGEUSNOSZ-UHFFFAOYSA-N -1 1 387.347 1.429 20 0 GDADMM O=S(=O)(c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)N1CCSCC1 ZINC000738355708 599594782 /nfs/dbraw/zinc/59/47/82/599594782.db2.gz QDSVZWCNTBROOP-UHFFFAOYSA-N -1 1 379.389 1.623 20 0 GDADMM CO[C@]1(C)C[C@@H](NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C1(C)C ZINC000821678007 599655276 /nfs/dbraw/zinc/65/52/76/599655276.db2.gz IAIWWNLCTLWAHR-BFUOFWGJSA-N -1 1 388.472 1.837 20 0 GDADMM Cc1cccc(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)c1Cl ZINC000822324318 599693899 /nfs/dbraw/zinc/69/38/99/599693899.db2.gz ZVTFDGKKLLZDIA-UHFFFAOYSA-N -1 1 375.824 1.888 20 0 GDADMM Cc1cccc(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)c1Cl ZINC000822324318 599693900 /nfs/dbraw/zinc/69/39/00/599693900.db2.gz ZVTFDGKKLLZDIA-UHFFFAOYSA-N -1 1 375.824 1.888 20 0 GDADMM CN1CCN(C[C@@H](NC(=O)c2cccc(OCC(=O)[O-])c2)c2ccccc2)CC1 ZINC000659752865 599746527 /nfs/dbraw/zinc/74/65/27/599746527.db2.gz GRBQRVHWNAVVAY-HXUWFJFHSA-N -1 1 397.475 1.869 20 0 GDADMM Cc1ccc(NC(=O)NC[C@H]2CCCN([C@H](C)C(=O)NCC(=O)[O-])C2)cc1 ZINC000738623983 599771976 /nfs/dbraw/zinc/77/19/76/599771976.db2.gz APXDUWPGGNSLER-HUUCEWRRSA-N -1 1 376.457 1.418 20 0 GDADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)COc1ccc(F)cc1Br ZINC000320744148 599778199 /nfs/dbraw/zinc/77/81/99/599778199.db2.gz ZGOZCABHOPQTEF-NSHDSACASA-N -1 1 386.177 1.502 20 0 GDADMM CC(C)CN1CCO[C@H](CNC(=O)COC(=O)c2ccccc2C(=O)[O-])C1 ZINC000736443096 599787437 /nfs/dbraw/zinc/78/74/37/599787437.db2.gz NUVIICSRKXPEOB-CQSZACIVSA-N -1 1 378.425 1.015 20 0 GDADMM COC(=O)c1cc(NC(=O)[C@H](C)N2CCC[C@@H](CCO)C2)cc(C(=O)[O-])c1 ZINC000737660317 599815243 /nfs/dbraw/zinc/81/52/43/599815243.db2.gz LTORGWNYQWYGLA-STQMWFEESA-N -1 1 378.425 1.593 20 0 GDADMM CC(C)(NCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)[O-] ZINC000736339166 599926244 /nfs/dbraw/zinc/92/62/44/599926244.db2.gz FGPBZAUCSFIVAC-UHFFFAOYSA-N -1 1 383.470 1.253 20 0 GDADMM CC(C)(NCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)C(=O)[O-] ZINC000736339182 599926310 /nfs/dbraw/zinc/92/63/10/599926310.db2.gz FIYDEJCRBGEDFL-UHFFFAOYSA-N -1 1 397.497 1.643 20 0 GDADMM CC[C@H]1CN([C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)CC[N@H+]1CCOC ZINC000736942993 599960660 /nfs/dbraw/zinc/96/06/60/599960660.db2.gz HUDLYTLGTVDYLA-QAPCUYQASA-N -1 1 377.485 1.432 20 0 GDADMM CC[C@H]1CN([C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)CCN1CCOC ZINC000736942993 599960662 /nfs/dbraw/zinc/96/06/62/599960662.db2.gz HUDLYTLGTVDYLA-QAPCUYQASA-N 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ZINC000831479524 602256471 /nfs/dbraw/zinc/25/64/71/602256471.db2.gz PBUIGIIGPAIYCP-UHFFFAOYSA-N -1 1 395.437 1.193 20 0 GDADMM CC(C)(NC(=O)[O-])C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000736330938 602291968 /nfs/dbraw/zinc/29/19/68/602291968.db2.gz DRPHDKPVPNGJDC-UHFFFAOYSA-N -1 1 382.218 1.897 20 0 GDADMM CC(C)(NC(=O)[O-])C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000736330938 602291970 /nfs/dbraw/zinc/29/19/70/602291970.db2.gz DRPHDKPVPNGJDC-UHFFFAOYSA-N -1 1 382.218 1.897 20 0 GDADMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(NC(N)=O)c(OC)c1 ZINC000474297751 602322421 /nfs/dbraw/zinc/32/24/21/602322421.db2.gz OPTJCVACFLCZLN-UHFFFAOYSA-N -1 1 395.393 1.693 20 0 GDADMM Cc1cccc(CN2CCN(C(=O)CN3CC[C@H](CN(C)C(=O)[O-])C3)CC2)c1 ZINC000740172297 602529633 /nfs/dbraw/zinc/52/96/33/602529633.db2.gz YTRRGNOFPBTNIW-LJQANCHMSA-N -1 1 388.512 1.571 20 0 GDADMM C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000738626472 602530615 /nfs/dbraw/zinc/53/06/15/602530615.db2.gz UWUHPIPKVYJTGF-KFWWJZLASA-N -1 1 377.441 1.263 20 0 GDADMM COc1ccc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1OC ZINC000826203493 607573263 /nfs/dbraw/zinc/57/32/63/607573263.db2.gz RBZOMPBLEUXVBE-UHFFFAOYSA-N -1 1 393.400 1.502 20 0 GDADMM CN1CCN(c2ccc(NC(=O)[C@@H](Cc3ccccc3)NC(=O)[O-])cn2)CC1 ZINC000739736335 602564972 /nfs/dbraw/zinc/56/49/72/602564972.db2.gz JUIBOABHSBVSIH-QGZVFWFLSA-N -1 1 383.452 1.651 20 0 GDADMM CCCN(CC(=O)NC1CCN(C(=O)OCC)CC1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739354060 602578798 /nfs/dbraw/zinc/57/87/98/602578798.db2.gz OIQRFWKMBJHOIS-HNNXBMFYSA-N -1 1 384.477 1.188 20 0 GDADMM COc1ccc(CN2CCCN(C(=O)N[C@@H]3CCN(C(=O)[O-])C3)CC2)cc1 ZINC000739908598 602582676 /nfs/dbraw/zinc/58/26/76/602582676.db2.gz VBSAMSZFRVTEGG-MRXNPFEDSA-N -1 1 376.457 1.665 20 0 GDADMM COc1ccc([C@H](CNC(=O)NC[C@H]2CCCN2C(=O)[O-])N(C)C)cc1OC ZINC000739891483 602605849 /nfs/dbraw/zinc/60/58/49/602605849.db2.gz CCPATRGDRMSZCX-CABCVRRESA-N -1 1 394.472 1.748 20 0 GDADMM CN(C)[C@H](CNC(=O)N(C)CCN1CCN(C(=O)[O-])CC1)c1cccs1 ZINC000739683188 602609001 /nfs/dbraw/zinc/60/90/01/602609001.db2.gz FRFYMQPITHAEHZ-CQSZACIVSA-N -1 1 383.518 1.288 20 0 GDADMM COc1cccc([C@@H](CNC(=O)N2CC[C@@H](CN(C)C(=O)[O-])C2)N(C)C)c1 ZINC000739943553 602611670 /nfs/dbraw/zinc/61/16/70/602611670.db2.gz ADIQMLSWUORHTK-WMLDXEAASA-N -1 1 378.473 1.939 20 0 GDADMM CNS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccccc2NC(=O)[O-])c1 ZINC000739749832 602653064 /nfs/dbraw/zinc/65/30/64/602653064.db2.gz JRSNPRYINDQQRN-UHFFFAOYSA-N -1 1 385.423 1.485 20 0 GDADMM O=C([O-])N1CCC[C@@H](CCNC(=O)CCNC(=O)c2n[nH]c3ccccc32)C1 ZINC000740356675 602653223 /nfs/dbraw/zinc/65/32/23/602653223.db2.gz MVXVAVIKKKEVMA-ZDUSSCGKSA-N -1 1 387.440 1.579 20 0 GDADMM CN(CCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)c1ccccc1 ZINC000825941919 607580268 /nfs/dbraw/zinc/58/02/68/607580268.db2.gz RMPYDBCWMCAIPC-UHFFFAOYSA-N -1 1 392.872 1.935 20 0 GDADMM CN(CCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)c1ccccc1 ZINC000825941919 607580270 /nfs/dbraw/zinc/58/02/70/607580270.db2.gz RMPYDBCWMCAIPC-UHFFFAOYSA-N -1 1 392.872 1.935 20 0 GDADMM O=C([O-])N[C@H](CCC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1)c1ccccc1 ZINC000740535877 602683667 /nfs/dbraw/zinc/68/36/67/602683667.db2.gz GEGHURGLVYAWTE-KZNAEPCWSA-N -1 1 375.469 1.833 20 0 GDADMM O=S(=O)(NCCc1ccc2c(c1)OCO2)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826491688 607581171 /nfs/dbraw/zinc/58/11/71/607581171.db2.gz WBLXHIFWDNGIKS-UHFFFAOYSA-N -1 1 391.384 1.256 20 0 GDADMM C[C@@H](CN1CCN(C)CC1)NC(=O)c1cccn1C1CCN(C(=O)[O-])CC1 ZINC000738911633 602700238 /nfs/dbraw/zinc/70/02/38/602700238.db2.gz MVVKYUCLMIQZTA-HNNXBMFYSA-N -1 1 377.489 1.169 20 0 GDADMM O=S(=O)(NCCOc1ccccc1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826491583 607577752 /nfs/dbraw/zinc/57/77/52/607577752.db2.gz QLRLIBHXVFMAET-UHFFFAOYSA-N -1 1 379.829 1.877 20 0 GDADMM O=S(=O)(NCCOc1ccccc1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826491583 607577754 /nfs/dbraw/zinc/57/77/54/607577754.db2.gz QLRLIBHXVFMAET-UHFFFAOYSA-N -1 1 379.829 1.877 20 0 GDADMM O=C([O-])NCc1nc(C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)cs1 ZINC000740682146 602712924 /nfs/dbraw/zinc/71/29/24/602712924.db2.gz CSXAQJYLURSWNA-UHFFFAOYSA-N -1 1 376.373 1.765 20 0 GDADMM O=C([O-])NCc1nc(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)cs1 ZINC000740682146 602712925 /nfs/dbraw/zinc/71/29/25/602712925.db2.gz CSXAQJYLURSWNA-UHFFFAOYSA-N -1 1 376.373 1.765 20 0 GDADMM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)N[C@@H](CN1CCN(C)CC1)c1ccccc1 ZINC000739155894 602756030 /nfs/dbraw/zinc/75/60/30/602756030.db2.gz UEYNRKBTRVTVDE-AEFFLSMTSA-N -1 1 389.500 1.369 20 0 GDADMM Cc1cc([C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)on1 ZINC000826266003 607588618 /nfs/dbraw/zinc/58/86/18/607588618.db2.gz YCBKRYUFMSEUJC-GFCCVEGCSA-N -1 1 378.389 1.828 20 0 GDADMM Cc1cc([C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)on1 ZINC000826265596 607588681 /nfs/dbraw/zinc/58/86/81/607588681.db2.gz GOBWBFZYFUXNRX-NSHDSACASA-N -1 1 378.389 1.828 20 0 GDADMM Cc1cc([C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)on1 ZINC000826265596 607588684 /nfs/dbraw/zinc/58/86/84/607588684.db2.gz GOBWBFZYFUXNRX-NSHDSACASA-N -1 1 378.389 1.828 20 0 GDADMM C[C@H](C(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823668619 602871961 /nfs/dbraw/zinc/87/19/61/602871961.db2.gz FMWTVDKHYCQQKH-HPBDAGMYSA-N -1 1 375.469 1.689 20 0 GDADMM O=S(=O)(NCc1cccc2c1OCO2)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826492161 607595031 /nfs/dbraw/zinc/59/50/31/607595031.db2.gz WDZILAPVDNXYEJ-UHFFFAOYSA-N -1 1 393.812 1.727 20 0 GDADMM O=S(=O)(NCc1cccc2c1OCO2)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826492161 607595032 /nfs/dbraw/zinc/59/50/32/607595032.db2.gz WDZILAPVDNXYEJ-UHFFFAOYSA-N -1 1 393.812 1.727 20 0 GDADMM COc1cccc([C@H](CNC(=O)N2CC[C@@H](NC(=O)[O-])[C@H](C)C2)N(C)C)c1 ZINC000739944239 602931769 /nfs/dbraw/zinc/93/17/69/602931769.db2.gz COVRQJDFUKRMCY-XYPHTWIQSA-N -1 1 378.473 1.986 20 0 GDADMM Cc1nc(CN2CCN(C(=O)[C@H](C)[C@@H](NC(=O)[O-])c3ccccc3)CC2)n[nH]1 ZINC000830752516 602956826 /nfs/dbraw/zinc/95/68/26/602956826.db2.gz YVVBUAPVSGAUHP-CXAGYDPISA-N -1 1 386.456 1.402 20 0 GDADMM COc1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c(N)cc1OC(F)F ZINC000826177555 607600549 /nfs/dbraw/zinc/60/05/49/607600549.db2.gz MSVCSULUDUBGIS-UHFFFAOYSA-N -1 1 392.322 1.811 20 0 GDADMM COc1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c(N)cc1OC(F)F ZINC000826177555 607600551 /nfs/dbraw/zinc/60/05/51/607600551.db2.gz MSVCSULUDUBGIS-UHFFFAOYSA-N -1 1 392.322 1.811 20 0 GDADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)C[C@@H]3CCS(=O)(=O)C3)cc2)n1 ZINC000740681378 603060236 /nfs/dbraw/zinc/06/02/36/603060236.db2.gz IWDAWBFIYJSJTQ-JTQLQIEISA-N -1 1 393.425 1.003 20 0 GDADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)C[C@@H]3CCS(=O)(=O)C3)cc2)n[nH]1 ZINC000740681378 603060240 /nfs/dbraw/zinc/06/02/40/603060240.db2.gz IWDAWBFIYJSJTQ-JTQLQIEISA-N -1 1 393.425 1.003 20 0 GDADMM COc1ccccc1[C@H](NC(=O)[O-])C(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000829604309 603075892 /nfs/dbraw/zinc/07/58/92/603075892.db2.gz OGHOBSACVSWWLU-KBPBESRZSA-N -1 1 375.385 1.031 20 0 GDADMM CC(C)(C)c1nc([C@H]2CN(C(=O)c3ccc(CNC(=O)[O-])o3)CCO2)n[nH]1 ZINC000823863779 603077141 /nfs/dbraw/zinc/07/71/41/603077141.db2.gz DEKKTOITQWHNAZ-GFCCVEGCSA-N -1 1 377.401 1.677 20 0 GDADMM CC(C)(C)c1nnc([C@H]2CN(C(=O)c3ccc(CNC(=O)[O-])o3)CCO2)[nH]1 ZINC000823863779 603077147 /nfs/dbraw/zinc/07/71/47/603077147.db2.gz DEKKTOITQWHNAZ-GFCCVEGCSA-N -1 1 377.401 1.677 20 0 GDADMM CC(C)(C)c1nc([C@@H]2CN(C(=O)C3CCC(NC(=O)[O-])CC3)CCO2)n[nH]1 ZINC000823864919 603078685 /nfs/dbraw/zinc/07/86/85/603078685.db2.gz RMFYPTRBMRZKEA-BPCQOVAHSA-N -1 1 379.461 1.829 20 0 GDADMM CC(C)(C)c1nnc([C@@H]2CN(C(=O)C3CCC(NC(=O)[O-])CC3)CCO2)[nH]1 ZINC000823864919 603078691 /nfs/dbraw/zinc/07/86/91/603078691.db2.gz RMFYPTRBMRZKEA-BPCQOVAHSA-N -1 1 379.461 1.829 20 0 GDADMM O=Cc1ccc(OC(F)(F)C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000826484074 607606274 /nfs/dbraw/zinc/60/62/74/607606274.db2.gz MUBDAORGGRELQU-UHFFFAOYSA-N -1 1 375.291 1.789 20 0 GDADMM O=Cc1ccc(OC(F)(F)C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000826484074 607606276 /nfs/dbraw/zinc/60/62/76/607606276.db2.gz MUBDAORGGRELQU-UHFFFAOYSA-N -1 1 375.291 1.789 20 0 GDADMM CC(C)[C@](C)(CNC(=O)[O-])NC(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000738768966 603099709 /nfs/dbraw/zinc/09/97/09/603099709.db2.gz UZSLOMGTYLQXFE-FQEVSTJZSA-N -1 1 376.501 1.846 20 0 GDADMM O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826404492 607609596 /nfs/dbraw/zinc/60/95/96/607609596.db2.gz CAUXNYQIFXQLGD-QGZVFWFLSA-N -1 1 394.435 1.596 20 0 GDADMM CCCOc1ccc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cn1 ZINC000825339260 607611750 /nfs/dbraw/zinc/61/17/50/607611750.db2.gz UJYJPJOLOJYRNH-UHFFFAOYSA-N -1 1 392.416 1.668 20 0 GDADMM C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)C(=O)Nc1ccccc1 ZINC000824640770 607612569 /nfs/dbraw/zinc/61/25/69/607612569.db2.gz OHEQZGBNILHREJ-JTQLQIEISA-N -1 1 390.400 1.311 20 0 GDADMM C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)C(=O)Nc1ccccc1 ZINC000824640770 607612571 /nfs/dbraw/zinc/61/25/71/607612571.db2.gz OHEQZGBNILHREJ-JTQLQIEISA-N -1 1 390.400 1.311 20 0 GDADMM Nc1ccc(Br)c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826395491 607614582 /nfs/dbraw/zinc/61/45/82/607614582.db2.gz FFUSKJQIAIBXQX-UHFFFAOYSA-N -1 1 375.186 1.963 20 0 GDADMM Nc1ccc(Br)c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826395491 607614583 /nfs/dbraw/zinc/61/45/83/607614583.db2.gz FFUSKJQIAIBXQX-UHFFFAOYSA-N -1 1 375.186 1.963 20 0 GDADMM CCN1CCN(c2ccc(CNC(=O)[C@@H]3CCC[C@H](NC(=O)[O-])C3)cn2)CC1 ZINC000739462254 603241764 /nfs/dbraw/zinc/24/17/64/603241764.db2.gz XBABRQYKZDVADA-SJORKVTESA-N -1 1 389.500 1.666 20 0 GDADMM Cn1cc(N2CCC[C@@H](N3CCC([C@@H]4CCCN4C(=O)[O-])CC3)C2=O)cn1 ZINC000740288760 603329148 /nfs/dbraw/zinc/32/91/48/603329148.db2.gz GBEVHZXYYUVTJB-DLBZAZTESA-N -1 1 375.473 1.770 20 0 GDADMM CN(Cc1cccc(NC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)c1)C(=O)[O-] ZINC000739713067 603365452 /nfs/dbraw/zinc/36/54/52/603365452.db2.gz KYJVRAMDKJFWQY-SJORKVTESA-N -1 1 376.457 1.859 20 0 GDADMM Cc1ccc([C@H](O)CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cc1 ZINC000826284168 607626689 /nfs/dbraw/zinc/62/66/89/607626689.db2.gz MEALDOOHSKWQDT-CYBMUJFWSA-N -1 1 393.856 1.840 20 0 GDADMM Cc1ccc([C@H](O)CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cc1 ZINC000826284168 607626691 /nfs/dbraw/zinc/62/66/91/607626691.db2.gz MEALDOOHSKWQDT-CYBMUJFWSA-N -1 1 393.856 1.840 20 0 GDADMM C[C@H](O)CN(C1CCCCC1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824708232 607630918 /nfs/dbraw/zinc/63/09/18/607630918.db2.gz XSAWHIVFOAFFAB-NSHDSACASA-N -1 1 383.449 1.710 20 0 GDADMM C[C@H](O)CN(C1CCCCC1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824708232 607630919 /nfs/dbraw/zinc/63/09/19/607630919.db2.gz XSAWHIVFOAFFAB-NSHDSACASA-N -1 1 383.449 1.710 20 0 GDADMM O=S(=O)(N[C@@H]1CCc2c1cccc2O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826489051 607631425 /nfs/dbraw/zinc/63/14/25/607631425.db2.gz GRUGLWDLTPRAIR-GFCCVEGCSA-N -1 1 375.385 1.677 20 0 GDADMM O=S(=O)(N[C@@H]1CCc2c1cccc2O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826489051 607631426 /nfs/dbraw/zinc/63/14/26/607631426.db2.gz GRUGLWDLTPRAIR-GFCCVEGCSA-N -1 1 375.385 1.677 20 0 GDADMM C[C@H](CN1CCN(C)CC1)NC(=O)N1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000824906026 603480991 /nfs/dbraw/zinc/48/09/91/603480991.db2.gz ANTZHDQUIBPVJJ-OAHLLOKOSA-N -1 1 381.521 1.186 20 0 GDADMM C[C@@](O)(CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000824669479 607633192 /nfs/dbraw/zinc/63/31/92/607633192.db2.gz CGJMTRALXAHUQH-MRXNPFEDSA-N -1 1 377.401 1.192 20 0 GDADMM CCCc1nc([C@@H]2CN(C(=O)N[C@@H]3CCC[C@H]3CNC(=O)[O-])CCO2)n[nH]1 ZINC000826953728 603526001 /nfs/dbraw/zinc/52/60/01/603526001.db2.gz KWSVVMUOZHIDQW-XQQFMLRXSA-N -1 1 380.449 1.276 20 0 GDADMM CCCc1n[nH]c([C@@H]2CN(C(=O)N[C@@H]3CCC[C@H]3CNC(=O)[O-])CCO2)n1 ZINC000826953728 603526003 /nfs/dbraw/zinc/52/60/03/603526003.db2.gz KWSVVMUOZHIDQW-XQQFMLRXSA-N -1 1 380.449 1.276 20 0 GDADMM CCN(CC1CCN(CC2=Nc3ccccc3S(=O)(=O)N2)CC1)C(=O)[O-] ZINC000827092363 603540396 /nfs/dbraw/zinc/54/03/96/603540396.db2.gz APSLUGAVKLFSLO-UHFFFAOYSA-N -1 1 380.470 1.720 20 0 GDADMM COc1ccccc1[C@@H](NC(=O)[O-])C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000829605199 603584364 /nfs/dbraw/zinc/58/43/64/603584364.db2.gz WGSAFNLWMDGWDS-WMLDXEAASA-N -1 1 377.441 1.185 20 0 GDADMM O=C([O-])N[C@H](C(=O)N1CCN(C[C@H]2CCOC2)CC1)c1cccc(Cl)c1 ZINC000832094649 603585101 /nfs/dbraw/zinc/58/51/01/603585101.db2.gz VFQCNCDNBYLVSQ-CJNGLKHVSA-N -1 1 381.860 1.829 20 0 GDADMM O=S(=O)(N[C@H](CO)c1ccc(F)cc1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826487696 607639239 /nfs/dbraw/zinc/63/92/39/607639239.db2.gz XEFHFNZBDPZLGJ-CYBMUJFWSA-N -1 1 381.364 1.157 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)N(C)CC(C)(C)CNC(=O)[O-] ZINC000823691749 603625086 /nfs/dbraw/zinc/62/50/86/603625086.db2.gz AUKJHRAGKCLSDF-UONOGXRCSA-N -1 1 379.457 1.557 20 0 GDADMM Cc1oc(NC(=O)CN2CCC[C@@H]2C(=O)OC(C)(C)C)c(-c2nn[n-]n2)c1C ZINC000826341285 607641576 /nfs/dbraw/zinc/64/15/76/607641576.db2.gz CEUJOWLVHQKPEA-GFCCVEGCSA-N -1 1 390.444 1.821 20 0 GDADMM O=C([O-])NC[C@@H]1CCN(C(=O)NCC2(CN3CCOCC3)CCCCC2)C1 ZINC000832584547 603673504 /nfs/dbraw/zinc/67/35/04/603673504.db2.gz VNQWDWFEXHFKPT-INIZCTEOSA-N -1 1 382.505 1.568 20 0 GDADMM COc1cc(NC(=O)C(=O)N2CCC(c3cnc[nH]3)CC2)ccc1NC(=O)[O-] ZINC000829147114 603674174 /nfs/dbraw/zinc/67/41/74/603674174.db2.gz MZVMHEWMWNZEMB-UHFFFAOYSA-N -1 1 387.396 1.853 20 0 GDADMM COc1cc(OC)cc(N2CC[C@@H](N(C)C[C@@H]3CCN(C(=O)[O-])C3)C2=O)c1 ZINC000829211217 603730696 /nfs/dbraw/zinc/73/06/96/603730696.db2.gz OHQPMSHKPQGGDR-SUMWQHHRSA-N -1 1 377.441 1.741 20 0 GDADMM O=S(=O)(N[C@H]1CCSC1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826489753 607653586 /nfs/dbraw/zinc/65/35/86/607653586.db2.gz YLBLFSHAMIDDRY-QMMMGPOBSA-N -1 1 379.389 1.669 20 0 GDADMM CC(C)C[C@H](CNC(=O)[O-])NC(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000824204217 603780584 /nfs/dbraw/zinc/78/05/84/603780584.db2.gz OZETYGNYCYFVHH-GOSISDBHSA-N -1 1 376.501 1.846 20 0 GDADMM O=S(=O)(NCC[C@@H](O)c1ccccc1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826490848 607654913 /nfs/dbraw/zinc/65/49/13/607654913.db2.gz JVGNQPUPULWKCK-CYBMUJFWSA-N -1 1 393.856 1.922 20 0 GDADMM O=S(=O)(NCC[C@@H](O)c1ccccc1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826490848 607654914 /nfs/dbraw/zinc/65/49/14/607654914.db2.gz JVGNQPUPULWKCK-CYBMUJFWSA-N -1 1 393.856 1.922 20 0 GDADMM O=C([O-])Nc1cc2c(cc1NS(=O)(=O)c1cccc3c1COC3=O)OCO2 ZINC000832828103 603889247 /nfs/dbraw/zinc/88/92/47/603889247.db2.gz AMLUGNZDPKJNPF-UHFFFAOYSA-N -1 1 392.345 1.976 20 0 GDADMM CC(=O)N1CCC[C@@H](C(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)C1 ZINC000823550722 603910414 /nfs/dbraw/zinc/91/04/14/603910414.db2.gz XQBQHWROLHUONQ-CYBMUJFWSA-N -1 1 386.412 1.436 20 0 GDADMM CC(=O)N1CCC[C@@H](C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)C1 ZINC000823550722 603910418 /nfs/dbraw/zinc/91/04/18/603910418.db2.gz XQBQHWROLHUONQ-CYBMUJFWSA-N -1 1 386.412 1.436 20 0 GDADMM C[C@H](OC[C@H]1CCCO1)C(=O)Nc1ccc(-c2nc(CNC(=O)[O-])n[nH]2)cc1 ZINC000825612240 603912067 /nfs/dbraw/zinc/91/20/67/603912067.db2.gz QZYNQDLRAIBWSD-SMDDNHRTSA-N -1 1 389.412 1.762 20 0 GDADMM C[C@H](OC[C@H]1CCCO1)C(=O)Nc1ccc(-c2n[nH]c(CNC(=O)[O-])n2)cc1 ZINC000825612240 603912072 /nfs/dbraw/zinc/91/20/72/603912072.db2.gz QZYNQDLRAIBWSD-SMDDNHRTSA-N -1 1 389.412 1.762 20 0 GDADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)c3ccc4nncn4c3)cc2)n1 ZINC000832730593 603913930 /nfs/dbraw/zinc/91/39/30/603913930.db2.gz VQBFHJKADJCIKP-UHFFFAOYSA-N -1 1 378.352 1.534 20 0 GDADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)c3ccc4nncn4c3)cc2)n[nH]1 ZINC000832730593 603913933 /nfs/dbraw/zinc/91/39/33/603913933.db2.gz VQBFHJKADJCIKP-UHFFFAOYSA-N -1 1 378.352 1.534 20 0 GDADMM Cc1ccccc1[C@H](CO)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826305935 607659606 /nfs/dbraw/zinc/65/96/06/607659606.db2.gz MIAOXLYZWQKHCT-ZDUSSCGKSA-N -1 1 377.401 1.326 20 0 GDADMM Cc1ccccc1[C@H](CO)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826305935 607659608 /nfs/dbraw/zinc/65/96/08/607659608.db2.gz MIAOXLYZWQKHCT-ZDUSSCGKSA-N -1 1 377.401 1.326 20 0 GDADMM CC(C)[C@H](CNC(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)[O-])N1CCN(C)CC1 ZINC000824110594 603936369 /nfs/dbraw/zinc/93/63/69/603936369.db2.gz MUGYLJVVMMWQHK-SQNIBIBYSA-N -1 1 382.549 1.981 20 0 GDADMM C[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)[C@H](O)c1cccc(F)c1 ZINC000824640103 607661977 /nfs/dbraw/zinc/66/19/77/607661977.db2.gz AJJCILLTLCSTER-PSLIRLAXSA-N -1 1 395.391 1.545 20 0 GDADMM CN(CC(=O)Nc1ccc(CN2CCOCC2)cc1)C1CCN(C(=O)[O-])CC1 ZINC000828115742 603981059 /nfs/dbraw/zinc/98/10/59/603981059.db2.gz ZRBNPEOYYXSIKM-UHFFFAOYSA-N -1 1 390.484 1.532 20 0 GDADMM Cc1oc(NC(=O)CN(C)C2CCN(C(=O)[O-])CC2)c2c1c(C)n[nH]c2=O ZINC000830671759 603982318 /nfs/dbraw/zinc/98/23/18/603982318.db2.gz FOLFGYNKQSSEIA-UHFFFAOYSA-N -1 1 377.401 1.558 20 0 GDADMM Cc1nc(CN2CCN(C(=O)[C@H]3CCCCCC[C@@H]3NC(=O)[O-])CC2)n[nH]1 ZINC000830750473 603986806 /nfs/dbraw/zinc/98/68/06/603986806.db2.gz CBXMFCIFXQIWSC-GJZGRUSLSA-N -1 1 378.477 1.364 20 0 GDADMM O=C([O-])N1CCC[C@@H](CCNC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000831567303 604002796 /nfs/dbraw/zinc/00/27/96/604002796.db2.gz JJYWDRRIGZADCU-LBPRGKRZSA-N -1 1 390.465 1.582 20 0 GDADMM O=C([O-])N1[C@@H]2CC[C@H]1CC(NC(=O)Cn1c(=O)c3ccccc3[nH]c1=S)C2 ZINC000831567290 604005445 /nfs/dbraw/zinc/00/54/45/604005445.db2.gz JDABUEFZJRNSSS-YOGCLGLASA-N -1 1 388.449 1.475 20 0 GDADMM COc1cc(NC(=O)C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)ccc1NC(=O)[O-] ZINC000829145830 604042910 /nfs/dbraw/zinc/04/29/10/604042910.db2.gz CLGOXVLLLGMJGT-JQWIXIFHSA-N -1 1 376.413 1.465 20 0 GDADMM C[C@]1(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CCCO1 ZINC000824823840 607669152 /nfs/dbraw/zinc/66/91/52/607669152.db2.gz POGKFABYCYPFNR-CYBMUJFWSA-N -1 1 391.375 1.733 20 0 GDADMM C[C@H](C[C@H](O)c1ccccc1)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824393266 607670097 /nfs/dbraw/zinc/67/00/97/607670097.db2.gz RDWMJWJNPFQXDM-RISCZKNCSA-N -1 1 391.428 1.796 20 0 GDADMM C[C@H](C[C@H](O)c1ccccc1)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824393266 607670099 /nfs/dbraw/zinc/67/00/99/607670099.db2.gz RDWMJWJNPFQXDM-RISCZKNCSA-N -1 1 391.428 1.796 20 0 GDADMM CC1(C)CN(C(=O)[O-])CCN1CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000825728902 604095821 /nfs/dbraw/zinc/09/58/21/604095821.db2.gz GKCYZUADGCNDLH-UHFFFAOYSA-N -1 1 382.848 1.842 20 0 GDADMM CC(C)[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC000824337985 607672970 /nfs/dbraw/zinc/67/29/70/607672970.db2.gz MEJZTDPBGXUWKS-CYBMUJFWSA-N -1 1 399.448 1.650 20 0 GDADMM O=S(=O)(NC[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826490122 607675854 /nfs/dbraw/zinc/67/58/54/607675854.db2.gz KEZJLIXVVDUMBP-FRFSOERESA-N -1 1 385.424 1.870 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N(CCCO)Cc1ccccc1 ZINC000826495348 607676119 /nfs/dbraw/zinc/67/61/19/607676119.db2.gz MRKZXCKOPRGNIS-UHFFFAOYSA-N -1 1 391.428 1.579 20 0 GDADMM CN(CC(=O)N1CCN(C(=O)[O-])CC1)C(=O)c1cn[nH]c1-c1ccccc1F ZINC000828095459 604175150 /nfs/dbraw/zinc/17/51/50/604175150.db2.gz IOSJGJORDWGPDP-UHFFFAOYSA-N -1 1 389.387 1.110 20 0 GDADMM Cc1c([C@@H](C)NCCN2CCN(C(=O)[O-])CC2)nnn1-c1ccc(F)cc1 ZINC000829859165 604268952 /nfs/dbraw/zinc/26/89/52/604268952.db2.gz JZDKRCSLZOPDSV-CYBMUJFWSA-N -1 1 376.436 1.661 20 0 GDADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(-c3ccncc3)n2)C1 ZINC000825204177 604287480 /nfs/dbraw/zinc/28/74/80/604287480.db2.gz SSNIGWARRCCSKI-CHWSQXEVSA-N -1 1 386.412 1.101 20 0 GDADMM Cc1ccc(-c2n[nH]c(SCC(=O)N3CCO[C@H](CC(=O)[O-])C3)n2)cc1 ZINC000832907825 604303628 /nfs/dbraw/zinc/30/36/28/604303628.db2.gz NNSYVFBWEHKZSX-CYBMUJFWSA-N -1 1 376.438 1.574 20 0 GDADMM CC(=O)N1CCCN([C@@H]2CN(C(=O)c3cccc(NC(=O)[O-])c3)C[C@H]2C)CC1 ZINC000823556883 604324948 /nfs/dbraw/zinc/32/49/48/604324948.db2.gz RUYQIECGBXAJQL-RDTXWAMCSA-N -1 1 388.468 1.791 20 0 GDADMM CC(=O)N1CCCN([C@H]2CN(C(=O)c3ccccc3NC(=O)[O-])C[C@@H]2C)CC1 ZINC000825834858 604325258 /nfs/dbraw/zinc/32/52/58/604325258.db2.gz ZDCSHUNXNFGKOC-KSSFIOAISA-N -1 1 388.468 1.791 20 0 GDADMM CS[C@H]1CN(S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)C[C@@H]1N(C)C ZINC000833738850 604467934 /nfs/dbraw/zinc/46/79/34/604467934.db2.gz UXQBOTVEVWWVQB-GJZGRUSLSA-N -1 1 388.511 1.206 20 0 GDADMM 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382.428 1.720 20 0 GDADMM CCN(C[C@@H]1COc2ccccc2O1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821206529 606164882 /nfs/dbraw/zinc/16/48/82/606164882.db2.gz CHNRBZAPCNBJFA-LLVKDONJSA-N -1 1 384.400 1.294 20 0 GDADMM CCN(C[C@@H]1COc2ccccc2O1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821206529 606164884 /nfs/dbraw/zinc/16/48/84/606164884.db2.gz CHNRBZAPCNBJFA-LLVKDONJSA-N -1 1 384.400 1.294 20 0 GDADMM CCN1C[C@@H](CN(C)C(=O)Nc2nn(C)cc2-c2nnn[n-]2)Oc2ccccc21 ZINC000821243023 606165266 /nfs/dbraw/zinc/16/52/66/606165266.db2.gz YISLYBQVEQQMCB-GFCCVEGCSA-N -1 1 397.443 1.351 20 0 GDADMM CCN1C[C@@H](CN(C)C(=O)Nc2nn(C)cc2-c2nn[n-]n2)Oc2ccccc21 ZINC000821243023 606165267 /nfs/dbraw/zinc/16/52/67/606165267.db2.gz YISLYBQVEQQMCB-GFCCVEGCSA-N -1 1 397.443 1.351 20 0 GDADMM CN(C(=O)Nc1nn(C)cc1-c1nnn[n-]1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000821571994 606166901 /nfs/dbraw/zinc/16/69/01/606166901.db2.gz NSKOUEGBRPIWPI-CQSZACIVSA-N -1 1 381.444 1.733 20 0 GDADMM CN(C(=O)Nc1nn(C)cc1-c1nn[n-]n1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000821571994 606166902 /nfs/dbraw/zinc/16/69/02/606166902.db2.gz NSKOUEGBRPIWPI-CQSZACIVSA-N -1 1 381.444 1.733 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)n1 ZINC000822609689 606173658 /nfs/dbraw/zinc/17/36/58/606173658.db2.gz VFGZTAJJYMEZCS-LLVKDONJSA-N -1 1 391.436 1.025 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)n1 ZINC000822609689 606173659 /nfs/dbraw/zinc/17/36/59/606173659.db2.gz VFGZTAJJYMEZCS-LLVKDONJSA-N -1 1 391.436 1.025 20 0 GDADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2cccc(-c3nn[nH]n3)c2)o1 ZINC000821343534 606200173 /nfs/dbraw/zinc/20/01/73/606200173.db2.gz PBJOZECLKTYANB-UHFFFAOYSA-N -1 1 377.382 1.115 20 0 GDADMM O=C(CCc1ccccc1)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000822982694 606228336 /nfs/dbraw/zinc/22/83/36/606228336.db2.gz GVYIEXZYVRZBAV-UHFFFAOYSA-N -1 1 378.440 1.328 20 0 GDADMM O=C(CCc1ccccc1)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000822982694 606228338 /nfs/dbraw/zinc/22/83/38/606228338.db2.gz GVYIEXZYVRZBAV-UHFFFAOYSA-N -1 1 378.440 1.328 20 0 GDADMM CC(C)(C)c1nc(CN2CCCN(c3nccnc3-c3nnn[n-]3)CC2)no1 ZINC000819965332 606239677 /nfs/dbraw/zinc/23/96/77/606239677.db2.gz BSOHOZGJUAIKIB-UHFFFAOYSA-N -1 1 384.448 1.050 20 0 GDADMM CC(C)(C)c1nc(CN2CCCN(c3nccnc3-c3nn[n-]n3)CC2)no1 ZINC000819965332 606239680 /nfs/dbraw/zinc/23/96/80/606239680.db2.gz BSOHOZGJUAIKIB-UHFFFAOYSA-N -1 1 384.448 1.050 20 0 GDADMM CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1cc(-c3nn[nH]n3)ccc1[O-])C2=O ZINC000820690895 606295466 /nfs/dbraw/zinc/29/54/66/606295466.db2.gz SUMJTRVQPIUSOX-UHFFFAOYSA-N -1 1 399.411 1.012 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000823290278 606295675 /nfs/dbraw/zinc/29/56/75/606295675.db2.gz VPMZEBYACYQFBS-NSHDSACASA-N -1 1 382.355 1.703 20 0 GDADMM O=C(COC(=O)[C@@H]1C[C@@H]1C1CC1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000823018561 606392330 /nfs/dbraw/zinc/39/23/30/606392330.db2.gz RRVOJXNLAMUCJB-ZIAGYGMSSA-N -1 1 393.407 1.580 20 0 GDADMM O=C(COC(=O)[C@@H]1C[C@@H]1C1CC1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000823018561 606392332 /nfs/dbraw/zinc/39/23/32/606392332.db2.gz RRVOJXNLAMUCJB-ZIAGYGMSSA-N -1 1 393.407 1.580 20 0 GDADMM CCCCO[C@@H]1C[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1(C)C ZINC000821071422 606403784 /nfs/dbraw/zinc/40/37/84/606403784.db2.gz DMXFEMAPXVCSPX-UONOGXRCSA-N -1 1 380.474 1.524 20 0 GDADMM CCCCO[C@@H]1C[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1(C)C ZINC000821071422 606403785 /nfs/dbraw/zinc/40/37/85/606403785.db2.gz DMXFEMAPXVCSPX-UONOGXRCSA-N -1 1 380.474 1.524 20 0 GDADMM CC[C@@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)Oc1ccccc1F ZINC000820908710 606404136 /nfs/dbraw/zinc/40/41/36/606404136.db2.gz PNKMRCBGSRCEHH-NSHDSACASA-N -1 1 392.416 1.537 20 0 GDADMM CC[C@@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)Oc1ccccc1F ZINC000820908710 606404137 /nfs/dbraw/zinc/40/41/37/606404137.db2.gz PNKMRCBGSRCEHH-NSHDSACASA-N -1 1 392.416 1.537 20 0 GDADMM CCCCO[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1(C)C ZINC000821072945 606433378 /nfs/dbraw/zinc/43/33/78/606433378.db2.gz XBTVZZKIOUWRPS-HUUCEWRRSA-N -1 1 394.501 1.866 20 0 GDADMM CCCCO[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1(C)C ZINC000821072945 606433380 /nfs/dbraw/zinc/43/33/80/606433380.db2.gz XBTVZZKIOUWRPS-HUUCEWRRSA-N -1 1 394.501 1.866 20 0 GDADMM O=S(=O)(NCc1c(F)c(F)cc(F)c1F)c1ccc(-c2nnn[n-]2)nc1 ZINC000823578630 606437673 /nfs/dbraw/zinc/43/76/73/606437673.db2.gz QLGLJLUREUGVHL-UHFFFAOYSA-N -1 1 388.306 1.297 20 0 GDADMM O=S(=O)(NCc1c(F)c(F)cc(F)c1F)c1ccc(-c2nn[n-]n2)nc1 ZINC000823578630 606437675 /nfs/dbraw/zinc/43/76/75/606437675.db2.gz QLGLJLUREUGVHL-UHFFFAOYSA-N -1 1 388.306 1.297 20 0 GDADMM COC(=O)c1sc(NCCCc2[nH]nc(N)c2-c2nn[n-]n2)nc1Cl ZINC000821671534 606441643 /nfs/dbraw/zinc/44/16/43/606441643.db2.gz ZYBKASNBWQGBBD-UHFFFAOYSA-N -1 1 383.825 1.113 20 0 GDADMM CNS(=O)(=O)c1cccc([C@H](C)Nc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000821637617 606464645 /nfs/dbraw/zinc/46/46/45/606464645.db2.gz NDHYRIUYXRDWAX-VIFPVBQESA-N -1 1 393.860 1.996 20 0 GDADMM CNS(=O)(=O)c1cccc([C@H](C)Nc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000821637617 606464646 /nfs/dbraw/zinc/46/46/46/606464646.db2.gz NDHYRIUYXRDWAX-VIFPVBQESA-N -1 1 393.860 1.996 20 0 GDADMM COc1ccc(C(=O)N2CCN(C(=O)c3ccc(-c4nnn[n-]4)s3)CC2)cc1 ZINC000821770839 606501583 /nfs/dbraw/zinc/50/15/83/606501583.db2.gz YJUKMRZDGZJJHL-UHFFFAOYSA-N -1 1 398.448 1.535 20 0 GDADMM COc1ccc(C(=O)N2CCN(C(=O)c3ccc(-c4nn[n-]n4)s3)CC2)cc1 ZINC000821770839 606501585 /nfs/dbraw/zinc/50/15/85/606501585.db2.gz YJUKMRZDGZJJHL-UHFFFAOYSA-N -1 1 398.448 1.535 20 0 GDADMM Cc1nc(NC(=O)c2ccc(-c3nnn[n-]3)s2)sc1SCC(N)=O ZINC000822454533 606504253 /nfs/dbraw/zinc/50/42/53/606504253.db2.gz XULKRDWVSNMGID-UHFFFAOYSA-N -1 1 381.468 1.523 20 0 GDADMM Cc1nc(NC(=O)c2ccc(-c3nn[n-]n3)s2)sc1SCC(N)=O ZINC000822454533 606504254 /nfs/dbraw/zinc/50/42/54/606504254.db2.gz XULKRDWVSNMGID-UHFFFAOYSA-N -1 1 381.468 1.523 20 0 GDADMM O=C(NC1CCN(C(=O)c2ccccc2)CC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823150475 606522160 /nfs/dbraw/zinc/52/21/60/606522160.db2.gz PWPNTKLFPXVBNU-UHFFFAOYSA-N -1 1 382.449 1.963 20 0 GDADMM O=C(NC1CCN(C(=O)c2ccccc2)CC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823150475 606522161 /nfs/dbraw/zinc/52/21/61/606522161.db2.gz PWPNTKLFPXVBNU-UHFFFAOYSA-N -1 1 382.449 1.963 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCCCNC(=O)C1CCC1 ZINC000822541009 606537654 /nfs/dbraw/zinc/53/76/54/606537654.db2.gz KMGICTAGGNCHJJ-UHFFFAOYSA-N -1 1 397.439 1.595 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCCNC(=O)C1CCC1 ZINC000822541009 606537656 /nfs/dbraw/zinc/53/76/56/606537656.db2.gz KMGICTAGGNCHJJ-UHFFFAOYSA-N -1 1 397.439 1.595 20 0 GDADMM CC(C)[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820017532 606561130 /nfs/dbraw/zinc/56/11/30/606561130.db2.gz ZEACKLWIURUKDL-NXEZZACHSA-N -1 1 380.499 1.604 20 0 GDADMM CC(C)[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820017532 606561132 /nfs/dbraw/zinc/56/11/32/606561132.db2.gz ZEACKLWIURUKDL-NXEZZACHSA-N -1 1 380.499 1.604 20 0 GDADMM O=C(NCCNc1nccc(C(F)(F)F)n1)c1ccc(-c2nnn[n-]2)s1 ZINC000823206209 606568847 /nfs/dbraw/zinc/56/88/47/606568847.db2.gz OJBDPPFPRMTKCS-UHFFFAOYSA-N -1 1 384.347 1.579 20 0 GDADMM O=C(NCCNc1nccc(C(F)(F)F)n1)c1ccc(-c2nn[n-]n2)s1 ZINC000823206209 606568848 /nfs/dbraw/zinc/56/88/48/606568848.db2.gz OJBDPPFPRMTKCS-UHFFFAOYSA-N -1 1 384.347 1.579 20 0 GDADMM CC(C)S(=O)(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)[C@@H](C)C1 ZINC000820766225 606584484 /nfs/dbraw/zinc/58/44/84/606584484.db2.gz ARDPVDLOCNLMHI-QWRGUYRKSA-N -1 1 398.514 1.107 20 0 GDADMM CC(C)S(=O)(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)[C@@H](C)C1 ZINC000820766225 606584486 /nfs/dbraw/zinc/58/44/86/606584486.db2.gz ARDPVDLOCNLMHI-QWRGUYRKSA-N -1 1 398.514 1.107 20 0 GDADMM Cc1cc(C)n(-c2ccc(CNC(=O)Nc3nn(C)cc3-c3nnn[n-]3)cn2)n1 ZINC000822197643 606596251 /nfs/dbraw/zinc/59/62/51/606596251.db2.gz JFLCUKFRBJHHIR-UHFFFAOYSA-N -1 1 393.415 1.119 20 0 GDADMM Cc1cc(C)n(-c2ccc(CNC(=O)Nc3nn(C)cc3-c3nn[n-]n3)cn2)n1 ZINC000822197643 606596253 /nfs/dbraw/zinc/59/62/53/606596253.db2.gz JFLCUKFRBJHHIR-UHFFFAOYSA-N -1 1 393.415 1.119 20 0 GDADMM CO[C@@H]1C[C@@H](NC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)C1(C)C ZINC000821678435 606604994 /nfs/dbraw/zinc/60/49/94/606604994.db2.gz NSKMYPTWMOZFPY-HUUCEWRRSA-N -1 1 398.471 1.389 20 0 GDADMM CO[C@@H]1C[C@@H](NC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)C1(C)C ZINC000821678435 606604995 /nfs/dbraw/zinc/60/49/95/606604995.db2.gz NSKMYPTWMOZFPY-HUUCEWRRSA-N -1 1 398.471 1.389 20 0 GDADMM COc1cccc(CCNC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)n1 ZINC000821867640 606623390 /nfs/dbraw/zinc/62/33/90/606623390.db2.gz HJMZMCPVPNPBEZ-UHFFFAOYSA-N -1 1 393.407 1.935 20 0 GDADMM COc1cccc(CCNC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)n1 ZINC000821867640 606623391 /nfs/dbraw/zinc/62/33/91/606623391.db2.gz HJMZMCPVPNPBEZ-UHFFFAOYSA-N -1 1 393.407 1.935 20 0 GDADMM COc1ccc(N2C[C@H](C(=O)OCc3ccnc(-c4nnn[n-]4)c3)CC2=O)cc1 ZINC000821831747 606648011 /nfs/dbraw/zinc/64/80/11/606648011.db2.gz LHPQPOLIUYMIEU-CYBMUJFWSA-N -1 1 394.391 1.367 20 0 GDADMM COc1ccc(N2C[C@H](C(=O)OCc3ccnc(-c4nn[n-]n4)c3)CC2=O)cc1 ZINC000821831747 606648012 /nfs/dbraw/zinc/64/80/12/606648012.db2.gz LHPQPOLIUYMIEU-CYBMUJFWSA-N -1 1 394.391 1.367 20 0 GDADMM Cc1nc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)nn1-c1ccc(F)cc1 ZINC000822423413 606648182 /nfs/dbraw/zinc/64/81/82/606648182.db2.gz KYDKKLVRFSNBAJ-UHFFFAOYSA-N -1 1 380.343 1.647 20 0 GDADMM Cc1nc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)nn1-c1ccc(F)cc1 ZINC000822423413 606648183 /nfs/dbraw/zinc/64/81/83/606648183.db2.gz KYDKKLVRFSNBAJ-UHFFFAOYSA-N -1 1 380.343 1.647 20 0 GDADMM Cc1c(CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)nnn1-c1ccc(C)cc1 ZINC000822224946 606651259 /nfs/dbraw/zinc/65/12/59/606651259.db2.gz GWJNEEVCKAXKJT-UHFFFAOYSA-N -1 1 390.407 1.745 20 0 GDADMM Cc1c(CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)nnn1-c1ccc(C)cc1 ZINC000822224946 606651260 /nfs/dbraw/zinc/65/12/60/606651260.db2.gz GWJNEEVCKAXKJT-UHFFFAOYSA-N -1 1 390.407 1.745 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000823436399 606653875 /nfs/dbraw/zinc/65/38/75/606653875.db2.gz TZDWGUINXUSAAV-OAHLLOKOSA-N -1 1 393.407 1.252 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000823436399 606653876 /nfs/dbraw/zinc/65/38/76/606653876.db2.gz TZDWGUINXUSAAV-OAHLLOKOSA-N -1 1 393.407 1.252 20 0 GDADMM COC(=O)[C@H](C)[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccccc1 ZINC000821638762 606658264 /nfs/dbraw/zinc/65/82/64/606658264.db2.gz HPQGROUPAGKUOP-ZWNOBZJWSA-N -1 1 384.400 1.272 20 0 GDADMM COC(=O)[C@H](C)[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccccc1 ZINC000821638762 606658265 /nfs/dbraw/zinc/65/82/65/606658265.db2.gz HPQGROUPAGKUOP-ZWNOBZJWSA-N -1 1 384.400 1.272 20 0 GDADMM O=C(NCCC1CCC1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000823181672 606676390 /nfs/dbraw/zinc/67/63/90/606676390.db2.gz CJZSNOYTBLFVPA-UHFFFAOYSA-N -1 1 386.460 1.754 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCOc2ccc(F)cc21 ZINC000823607818 606766206 /nfs/dbraw/zinc/76/62/06/606766206.db2.gz XNHGUZZMUJMRRT-UHFFFAOYSA-N -1 1 379.348 1.733 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCC2(CCO)CCCC2)cc1-c1nn[n-]n1 ZINC000821976469 606768810 /nfs/dbraw/zinc/76/88/10/606768810.db2.gz BBVGECRNASMASN-UHFFFAOYSA-N -1 1 378.458 1.362 20 0 GDADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1noc(-c2ccccc2)n1 ZINC000820379780 606771484 /nfs/dbraw/zinc/77/14/84/606771484.db2.gz HADATKKCRJNVPE-VIFPVBQESA-N -1 1 380.372 1.533 20 0 GDADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1noc(-c2ccccc2)n1 ZINC000820379780 606771485 /nfs/dbraw/zinc/77/14/85/606771485.db2.gz HADATKKCRJNVPE-VIFPVBQESA-N -1 1 380.372 1.533 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1nc(C(C)(C)C)no1 ZINC000820804064 606778774 /nfs/dbraw/zinc/77/87/74/606778774.db2.gz MEZOGXYLOIPWPD-LLVKDONJSA-N -1 1 384.448 1.048 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1nc(C(C)(C)C)no1 ZINC000820804064 606778775 /nfs/dbraw/zinc/77/87/75/606778775.db2.gz MEZOGXYLOIPWPD-LLVKDONJSA-N -1 1 384.448 1.048 20 0 GDADMM C[C@@H](NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)c1ccccn1 ZINC000820348950 606786507 /nfs/dbraw/zinc/78/65/07/606786507.db2.gz GWSCDMJYJNROOO-QWHCGFSZSA-N -1 1 394.443 1.033 20 0 GDADMM C[C@@H](NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)c1ccccn1 ZINC000820348950 606786509 /nfs/dbraw/zinc/78/65/09/606786509.db2.gz GWSCDMJYJNROOO-QWHCGFSZSA-N -1 1 394.443 1.033 20 0 GDADMM C[C@@H](NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)C1CCCC1 ZINC000820351225 606791624 /nfs/dbraw/zinc/79/16/24/606791624.db2.gz NCFNPLBLYYSOSR-CHWSQXEVSA-N -1 1 385.476 1.456 20 0 GDADMM C[C@@H](NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)C1CCCC1 ZINC000820351225 606791625 /nfs/dbraw/zinc/79/16/25/606791625.db2.gz NCFNPLBLYYSOSR-CHWSQXEVSA-N -1 1 385.476 1.456 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCCCO[C@H]1CCOC1 ZINC000822542523 606812146 /nfs/dbraw/zinc/81/21/46/606812146.db2.gz YQHCXCLDJORIEH-ZDUSSCGKSA-N -1 1 386.412 1.484 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCCO[C@H]1CCOC1 ZINC000822542523 606812148 /nfs/dbraw/zinc/81/21/48/606812148.db2.gz YQHCXCLDJORIEH-ZDUSSCGKSA-N -1 1 386.412 1.484 20 0 GDADMM COCc1cccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1 ZINC000821695658 606820756 /nfs/dbraw/zinc/82/07/56/606820756.db2.gz BRRQRLTVUCLZBI-CYBMUJFWSA-N -1 1 394.439 1.154 20 0 GDADMM COCc1cccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1 ZINC000821695658 606820757 /nfs/dbraw/zinc/82/07/57/606820757.db2.gz BRRQRLTVUCLZBI-CYBMUJFWSA-N -1 1 394.439 1.154 20 0 GDADMM CSCCCCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821960584 606820759 /nfs/dbraw/zinc/82/07/59/606820759.db2.gz ALWFYMCMCPZMTH-GFCCVEGCSA-N -1 1 376.490 1.227 20 0 GDADMM CSCCCCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821960584 606820761 /nfs/dbraw/zinc/82/07/61/606820761.db2.gz ALWFYMCMCPZMTH-GFCCVEGCSA-N -1 1 376.490 1.227 20 0 GDADMM C[C@@H]1CCCC[C@@H]1CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820698965 606823095 /nfs/dbraw/zinc/82/30/95/606823095.db2.gz WWZCQFXRJVYRAP-QLFBSQMISA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCCC[C@@H]1CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820698965 606823097 /nfs/dbraw/zinc/82/30/97/606823097.db2.gz WWZCQFXRJVYRAP-QLFBSQMISA-N -1 1 384.488 1.910 20 0 GDADMM CCCCCCOCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821055508 606823927 /nfs/dbraw/zinc/82/39/27/606823927.db2.gz BQCKWTFCWUQFNK-AWEZNQCLSA-N -1 1 388.476 1.291 20 0 GDADMM CCCCCCOCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821055508 606823929 /nfs/dbraw/zinc/82/39/29/606823929.db2.gz BQCKWTFCWUQFNK-AWEZNQCLSA-N -1 1 388.476 1.291 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1cccs1 ZINC000820774513 606824759 /nfs/dbraw/zinc/82/47/59/606824759.db2.gz DYQBIXSNHXMIFV-GFCCVEGCSA-N -1 1 384.469 1.388 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1cccs1 ZINC000820774513 606824761 /nfs/dbraw/zinc/82/47/61/606824761.db2.gz DYQBIXSNHXMIFV-GFCCVEGCSA-N -1 1 384.469 1.388 20 0 GDADMM C[C@@H]1CCC[C@@H](C)C1NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820690737 606836008 /nfs/dbraw/zinc/83/60/08/606836008.db2.gz RAFIMVLOCVTIIL-MGPQQGTHSA-N -1 1 399.503 1.702 20 0 GDADMM C[C@@H]1CCC[C@@H](C)C1NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820690737 606836009 /nfs/dbraw/zinc/83/60/09/606836009.db2.gz RAFIMVLOCVTIIL-MGPQQGTHSA-N -1 1 399.503 1.702 20 0 GDADMM COCCN(Cc1cccs1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821690555 606840850 /nfs/dbraw/zinc/84/08/50/606840850.db2.gz PXTQGOSLLPPXTA-UHFFFAOYSA-N -1 1 397.457 1.905 20 0 GDADMM Cc1cccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1O ZINC000822284370 606855538 /nfs/dbraw/zinc/85/55/38/606855538.db2.gz QGUAQQCFQZPNDX-GFCCVEGCSA-N -1 1 380.412 1.022 20 0 GDADMM Cc1cccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1O ZINC000822284370 606855540 /nfs/dbraw/zinc/85/55/40/606855540.db2.gz QGUAQQCFQZPNDX-GFCCVEGCSA-N -1 1 380.412 1.022 20 0 GDADMM C[C@@H]1CC[C@H](C(=O)N2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)O1 ZINC000820678597 606864905 /nfs/dbraw/zinc/86/49/05/606864905.db2.gz WELYVYYKZYGZKF-DGCLKSJQSA-N -1 1 399.411 1.331 20 0 GDADMM O[C@@H](C[C@@H]1COCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccco1 ZINC000823673786 606878986 /nfs/dbraw/zinc/87/89/86/606878986.db2.gz OESKFHBENHWOHO-PWSUYJOCSA-N -1 1 376.804 1.837 20 0 GDADMM O[C@@H](C[C@@H]1COCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccco1 ZINC000823673786 606878987 /nfs/dbraw/zinc/87/89/87/606878987.db2.gz OESKFHBENHWOHO-PWSUYJOCSA-N -1 1 376.804 1.837 20 0 GDADMM COc1ccc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)cc1 ZINC000821818647 606883011 /nfs/dbraw/zinc/88/30/11/606883011.db2.gz WIZZCENLNSHBMF-UHFFFAOYSA-N -1 1 381.364 1.632 20 0 GDADMM CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000819947004 606933022 /nfs/dbraw/zinc/93/30/22/606933022.db2.gz YYDQGCISJGEODB-MRXNPFEDSA-N -1 1 394.435 1.945 20 0 GDADMM CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000819947004 606933024 /nfs/dbraw/zinc/93/30/24/606933024.db2.gz YYDQGCISJGEODB-MRXNPFEDSA-N -1 1 394.435 1.945 20 0 GDADMM COc1cc(OC)cc(OCCNC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821728701 606938392 /nfs/dbraw/zinc/93/83/92/606938392.db2.gz YJPGQCWPYAMSFA-UHFFFAOYSA-N -1 1 375.410 1.754 20 0 GDADMM COc1cc(OC)cc(OCCNC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821728701 606938393 /nfs/dbraw/zinc/93/83/93/606938393.db2.gz YJPGQCWPYAMSFA-UHFFFAOYSA-N -1 1 375.410 1.754 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000823483604 606939132 /nfs/dbraw/zinc/93/91/32/606939132.db2.gz KBGRIBJNIPJHQF-MNOVXSKESA-N -1 1 375.410 1.486 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000823483604 606939133 /nfs/dbraw/zinc/93/91/33/606939133.db2.gz KBGRIBJNIPJHQF-MNOVXSKESA-N -1 1 375.410 1.486 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000823483608 606939456 /nfs/dbraw/zinc/93/94/56/606939456.db2.gz KBGRIBJNIPJHQF-WDEREUQCSA-N -1 1 375.410 1.486 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000823483608 606939457 /nfs/dbraw/zinc/93/94/57/606939457.db2.gz KBGRIBJNIPJHQF-WDEREUQCSA-N -1 1 375.410 1.486 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCO[C@H](c2ccsc2)C1 ZINC000823607442 606941309 /nfs/dbraw/zinc/94/13/09/606941309.db2.gz VREGLRFQOFZPJW-ZDUSSCGKSA-N -1 1 395.441 1.830 20 0 GDADMM CS(=O)(=O)c1nnc(NC(=O)[C@@H]2CCCN2Cc2ccc(Cl)cc2)[n-]1 ZINC000530262498 649969220 /nfs/dbraw/zinc/96/92/20/649969220.db2.gz RSIHANJMWBTANP-LBPRGKRZSA-N -1 1 383.861 1.465 20 0 GDADMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@@H]2CCCN2Cc2ccc(Cl)cc2)n1 ZINC000530262498 649969222 /nfs/dbraw/zinc/96/92/22/649969222.db2.gz RSIHANJMWBTANP-LBPRGKRZSA-N -1 1 383.861 1.465 20 0 GDADMM COC(=O)C[C@H](C)C(=O)OCc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000821657874 607004058 /nfs/dbraw/zinc/00/40/58/607004058.db2.gz XZCIFVAEJCXMRQ-NSHDSACASA-N -1 1 384.396 1.603 20 0 GDADMM COc1ccc(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c(C)c1 ZINC000821817956 607005278 /nfs/dbraw/zinc/00/52/78/607005278.db2.gz DKFHCAMMVBWTMB-UHFFFAOYSA-N -1 1 377.401 1.801 20 0 GDADMM CCNc1ccc(-c2nn[nH]n2)cc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000821309022 607032916 /nfs/dbraw/zinc/03/29/16/607032916.db2.gz JFPFPQBQTMGULM-UHFFFAOYSA-N -1 1 391.413 1.136 20 0 GDADMM CCOC(=O)C(C)(C)n1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cn1 ZINC000821313812 607076009 /nfs/dbraw/zinc/07/60/09/607076009.db2.gz IJDAFNCJQDCTBB-UHFFFAOYSA-N -1 1 375.414 1.675 20 0 GDADMM CCOC(=O)C(C)(C)n1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cn1 ZINC000821313812 607076011 /nfs/dbraw/zinc/07/60/11/607076011.db2.gz IJDAFNCJQDCTBB-UHFFFAOYSA-N -1 1 375.414 1.675 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OC[C@H]1CCCOC1 ZINC000822458612 607081419 /nfs/dbraw/zinc/08/14/19/607081419.db2.gz FXQDVXIADHKLTH-ZDUSSCGKSA-N -1 1 385.428 1.429 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OC[C@H]1CCCOC1 ZINC000822458612 607081420 /nfs/dbraw/zinc/08/14/20/607081420.db2.gz FXQDVXIADHKLTH-ZDUSSCGKSA-N -1 1 385.428 1.429 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)NCC[C@H](C)[S@@](C)=O)c1-c1nn[n-]n1 ZINC000821990094 607099291 /nfs/dbraw/zinc/09/92/91/607099291.db2.gz PTCXKWSCHUGDLV-UAXLGHPASA-N -1 1 394.526 1.748 20 0 GDADMM CCNc1ccc(-c2nn[nH]n2)cc1NC(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000821304788 607102440 /nfs/dbraw/zinc/10/24/40/607102440.db2.gz RDFHGKWSOMDVLU-UHFFFAOYSA-N -1 1 391.413 1.052 20 0 GDADMM CCN(CC)C(=O)N1CCC(C(=O)Nc2ncc(-c3nnn[n-]3)s2)CC1 ZINC000821175135 607108143 /nfs/dbraw/zinc/10/81/43/607108143.db2.gz FNNMQSHFVVRCRL-UHFFFAOYSA-N -1 1 378.462 1.436 20 0 GDADMM CCN(CC)C(=O)N1CCC(C(=O)Nc2ncc(-c3nn[n-]n3)s2)CC1 ZINC000821175135 607108145 /nfs/dbraw/zinc/10/81/45/607108145.db2.gz FNNMQSHFVVRCRL-UHFFFAOYSA-N -1 1 378.462 1.436 20 0 GDADMM CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000821000240 607108321 /nfs/dbraw/zinc/10/83/21/607108321.db2.gz BHLJWWYCYKNJIN-VGANXODHSA-N -1 1 379.471 1.520 20 0 GDADMM CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000821000240 607108322 /nfs/dbraw/zinc/10/83/22/607108322.db2.gz BHLJWWYCYKNJIN-VGANXODHSA-N -1 1 379.471 1.520 20 0 GDADMM CCOc1ccccc1N1C[C@@H](C(=O)Nc2ncc(-c3nnn[n-]3)s2)CC1=O ZINC000821437344 607108326 /nfs/dbraw/zinc/10/83/26/607108326.db2.gz NHRKVXFVELCESE-JTQLQIEISA-N -1 1 399.436 1.714 20 0 GDADMM CCOc1ccccc1N1C[C@@H](C(=O)Nc2ncc(-c3nn[n-]n3)s2)CC1=O ZINC000821437344 607108328 /nfs/dbraw/zinc/10/83/28/607108328.db2.gz NHRKVXFVELCESE-JTQLQIEISA-N -1 1 399.436 1.714 20 0 GDADMM CCCC1(CNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)CC1 ZINC000821034835 607125130 /nfs/dbraw/zinc/12/51/30/607125130.db2.gz VHBHBUDLTQWWEX-CYBMUJFWSA-N -1 1 385.476 1.457 20 0 GDADMM CCCC1(CNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)CC1 ZINC000821034835 607125132 /nfs/dbraw/zinc/12/51/32/607125132.db2.gz VHBHBUDLTQWWEX-CYBMUJFWSA-N -1 1 385.476 1.457 20 0 GDADMM Cc1nc(-c2ccc(C)cc2NC(=O)Cn2cccc(-c3nn[n-]n3)c2=O)n[nH]1 ZINC000822214270 607132832 /nfs/dbraw/zinc/13/28/32/607132832.db2.gz XGQILVNGTVXIEU-UHFFFAOYSA-N -1 1 391.395 1.069 20 0 GDADMM CC(=O)c1sc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)nc1-c1ccccc1 ZINC000819845417 607205673 /nfs/dbraw/zinc/20/56/73/607205673.db2.gz UJDZJSMPGWCTTC-UHFFFAOYSA-N -1 1 395.408 1.423 20 0 GDADMM CC(C)COC(=O)Nc1cccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000820096974 607210091 /nfs/dbraw/zinc/21/00/91/607210091.db2.gz JHLNBORYGFAHON-UHFFFAOYSA-N -1 1 385.388 1.301 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCOc1ccccc1-c1ccccc1 ZINC000823131041 607211837 /nfs/dbraw/zinc/21/18/37/607211837.db2.gz BDRBNMZYNJREOO-UHFFFAOYSA-N -1 1 390.407 1.320 20 0 GDADMM CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821563878 607212431 /nfs/dbraw/zinc/21/24/31/607212431.db2.gz JUVOKIGXYFPETR-CQSZACIVSA-N -1 1 392.427 1.192 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H](Cc1ccccc1)c1cccs1 ZINC000823127000 607217727 /nfs/dbraw/zinc/21/77/27/607217727.db2.gz QIAXNQSYALRHJE-ZDUSSCGKSA-N -1 1 380.437 1.620 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000823127324 607220666 /nfs/dbraw/zinc/22/06/66/607220666.db2.gz ZYLUZLQGTMXMKV-KRWDZBQOSA-N -1 1 386.419 1.784 20 0 GDADMM Cc1cc(-c2csc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)n2)ccc1F ZINC000822128617 607222313 /nfs/dbraw/zinc/22/23/13/607222313.db2.gz DWVLHZQNHDOXMK-UHFFFAOYSA-N -1 1 385.388 1.668 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)n1 ZINC000826357308 607804005 /nfs/dbraw/zinc/80/40/05/607804005.db2.gz ZVKACHGQIGTMNJ-WFASDCNBSA-N -1 1 382.428 1.890 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)n1 ZINC000826357308 607804006 /nfs/dbraw/zinc/80/40/06/607804006.db2.gz ZVKACHGQIGTMNJ-WFASDCNBSA-N -1 1 382.428 1.890 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCC(C)(C)[C@@H](O)C(C)C ZINC000826233162 607824296 /nfs/dbraw/zinc/82/42/96/607824296.db2.gz WHGPOMYLOITICU-INIZCTEOSA-N -1 1 390.488 1.676 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@H]1CCOC(C)(C)C1 ZINC000826328459 607826033 /nfs/dbraw/zinc/82/60/33/607826033.db2.gz ROQOSVKJHMNZSD-ZDUSSCGKSA-N -1 1 398.471 1.533 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@H]1CCOC(C)(C)C1 ZINC000826328459 607826034 /nfs/dbraw/zinc/82/60/34/607826034.db2.gz ROQOSVKJHMNZSD-ZDUSSCGKSA-N -1 1 398.471 1.533 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCC(C)(C)[C@H](O)C(C)C)cc1-c1nn[n-]n1 ZINC000826229568 607835886 /nfs/dbraw/zinc/83/58/86/607835886.db2.gz JFCXCNVCUJBSIR-LLVKDONJSA-N -1 1 380.474 1.462 20 0 GDADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1cc(-c2ccncc2)n[nH]1 ZINC000826279982 607843894 /nfs/dbraw/zinc/84/38/94/607843894.db2.gz KAMDRSYCFWJZNX-UHFFFAOYSA-N -1 1 382.409 1.761 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CC[C@@H](C2CCOCC2)C1 ZINC000826495136 607853161 /nfs/dbraw/zinc/85/31/61/607853161.db2.gz DNMMIONVIHJJLP-GFCCVEGCSA-N -1 1 397.888 1.957 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CC[C@@H](C2CCOCC2)C1 ZINC000826495136 607853162 /nfs/dbraw/zinc/85/31/62/607853162.db2.gz DNMMIONVIHJJLP-GFCCVEGCSA-N -1 1 397.888 1.957 20 0 GDADMM CS(=O)(=O)c1cccc(NC(=O)COc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826224049 607864509 /nfs/dbraw/zinc/86/45/09/607864509.db2.gz MBZUCRTVULZABJ-UHFFFAOYSA-N -1 1 391.384 1.427 20 0 GDADMM CS(=O)(=O)c1cccc(NC(=O)COc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826224049 607864510 /nfs/dbraw/zinc/86/45/10/607864510.db2.gz MBZUCRTVULZABJ-UHFFFAOYSA-N -1 1 391.384 1.427 20 0 GDADMM Cc1ccc([C@H](OC[C@H](O)Cn2cnc(-c3nn[n-]n3)n2)c2ccccc2)cc1 ZINC000826284544 607869102 /nfs/dbraw/zinc/86/91/02/607869102.db2.gz XAKGSKHJWXKUQT-QZTJIDSGSA-N -1 1 391.435 1.934 20 0 GDADMM CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826003957 607879822 /nfs/dbraw/zinc/87/98/22/607879822.db2.gz BTDVOHFYEIHXJV-UHFFFAOYSA-N -1 1 377.357 1.560 20 0 GDADMM CS[C@H](C)CC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000826225299 607932624 /nfs/dbraw/zinc/93/26/24/607932624.db2.gz YLSUNMLPXMYHSE-SNVBAGLBSA-N -1 1 377.474 1.522 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCC12CCC(CC1)C2 ZINC000825001357 607940517 /nfs/dbraw/zinc/94/05/17/607940517.db2.gz ZSVACIRYKJJHAN-VFPJAPOESA-N -1 1 397.487 1.457 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCC12CCC(CC1)C2 ZINC000825001357 607940518 /nfs/dbraw/zinc/94/05/18/607940518.db2.gz ZSVACIRYKJJHAN-VFPJAPOESA-N -1 1 397.487 1.457 20 0 GDADMM CCc1nc2sccc2c(N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)n1 ZINC000825750619 607964849 /nfs/dbraw/zinc/96/48/49/607964849.db2.gz UKFKGPOAEULLEJ-UHFFFAOYSA-N -1 1 384.473 1.808 20 0 GDADMM CCc1nc2sccc2c(N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)n1 ZINC000825750619 607964850 /nfs/dbraw/zinc/96/48/50/607964850.db2.gz UKFKGPOAEULLEJ-UHFFFAOYSA-N -1 1 384.473 1.808 20 0 GDADMM CC(=O)Oc1cccc(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000824009575 607971577 /nfs/dbraw/zinc/97/15/77/607971577.db2.gz AQJRBRAFQOYODU-UHFFFAOYSA-N -1 1 378.341 1.699 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1csc(C2CC2)n1 ZINC000825000561 607985078 /nfs/dbraw/zinc/98/50/78/607985078.db2.gz SKIYGAALXCXEHM-LLVKDONJSA-N -1 1 383.485 1.701 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1csc(C2CC2)n1 ZINC000825000561 607985079 /nfs/dbraw/zinc/98/50/79/607985079.db2.gz SKIYGAALXCXEHM-LLVKDONJSA-N -1 1 383.485 1.701 20 0 GDADMM CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825221283 607997487 /nfs/dbraw/zinc/99/74/87/607997487.db2.gz ZHYZIJZQQFCROV-FSIMMPEJSA-N -1 1 388.453 1.769 20 0 GDADMM CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825296740 607998082 /nfs/dbraw/zinc/99/80/82/607998082.db2.gz USGJFUWLUUSGDU-CYBMUJFWSA-N -1 1 394.457 1.105 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000826450997 607998279 /nfs/dbraw/zinc/99/82/79/607998279.db2.gz LWZJIIVUKNLZQP-KGLIPLIRSA-N -1 1 384.440 1.940 20 0 GDADMM CN1C(=O)C[C@@H](C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])[C@@H]1c1ccc(F)cc1 ZINC000826010503 607999232 /nfs/dbraw/zinc/99/92/32/607999232.db2.gz LGVCBBSLVHHJJR-DYVFJYSZSA-N -1 1 396.382 1.870 20 0 GDADMM CN(C(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1)[C@H]1CCNC1=O ZINC000825830547 608010622 /nfs/dbraw/zinc/01/06/22/608010622.db2.gz VQNUKJIDOOQIHX-AWEZNQCLSA-N -1 1 396.382 1.759 20 0 GDADMM CN(C(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1)[C@H]1CCNC1=O ZINC000825830547 608010623 /nfs/dbraw/zinc/01/06/23/608010623.db2.gz VQNUKJIDOOQIHX-AWEZNQCLSA-N -1 1 396.382 1.759 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@H](CCC(=O)n2ncc(-c3nn[n-]n3)c2N)C1 ZINC000824103649 608011323 /nfs/dbraw/zinc/01/13/23/608011323.db2.gz FSEAFYGNWQYUFL-JTQLQIEISA-N -1 1 376.421 1.323 20 0 GDADMM C[C@](O)(CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)C(F)(F)F ZINC000824669951 608026019 /nfs/dbraw/zinc/02/60/19/608026019.db2.gz JBPDGGQUOZQYNL-JTQLQIEISA-N -1 1 385.755 1.112 20 0 GDADMM CCOC(=O)C[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000825498696 608040373 /nfs/dbraw/zinc/04/03/73/608040373.db2.gz AOMFOFBHFONCBK-MRVPVSSYSA-N -1 1 380.430 1.008 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccccc2F)C1=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826430987 608061517 /nfs/dbraw/zinc/06/15/17/608061517.db2.gz PBYXLMHNBJKTIB-AWEZNQCLSA-N -1 1 381.371 1.326 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccccc2F)C1=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826430987 608061518 /nfs/dbraw/zinc/06/15/18/608061518.db2.gz PBYXLMHNBJKTIB-AWEZNQCLSA-N -1 1 381.371 1.326 20 0 GDADMM CC1([C@H]2CCCN(S(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)C2)OCCO1 ZINC000824819161 608126513 /nfs/dbraw/zinc/12/65/13/608126513.db2.gz YBWFBMKMPMDKNB-NSHDSACASA-N -1 1 397.432 1.170 20 0 GDADMM CC1([C@H]2CCCN(S(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)C2)OCCO1 ZINC000824819161 608126514 /nfs/dbraw/zinc/12/65/14/608126514.db2.gz YBWFBMKMPMDKNB-NSHDSACASA-N -1 1 397.432 1.170 20 0 GDADMM C[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CC(C)(C)C1 ZINC000824970848 608142480 /nfs/dbraw/zinc/14/24/80/608142480.db2.gz YERPUTSLFSSLDC-NSHDSACASA-N -1 1 388.476 1.651 20 0 GDADMM C[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CC(C)(C)C1 ZINC000824970848 608142481 /nfs/dbraw/zinc/14/24/81/608142481.db2.gz YERPUTSLFSSLDC-NSHDSACASA-N -1 1 388.476 1.651 20 0 GDADMM CCOC(=O)CN(CC)C(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000825512218 608200238 /nfs/dbraw/zinc/20/02/38/608200238.db2.gz YVAGVWFMONBSRC-UHFFFAOYSA-N -1 1 390.469 1.886 20 0 GDADMM C[C@@H](CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccccc1F ZINC000824385155 608210528 /nfs/dbraw/zinc/21/05/28/608210528.db2.gz NDWNJQIMKAVVSM-NSHDSACASA-N -1 1 386.435 1.896 20 0 GDADMM C[C@@H](CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccccc1F ZINC000824385155 608210530 /nfs/dbraw/zinc/21/05/30/608210530.db2.gz NDWNJQIMKAVVSM-NSHDSACASA-N -1 1 386.435 1.896 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccc(OCC2CC2)cc1 ZINC000825933299 608211621 /nfs/dbraw/zinc/21/16/21/608211621.db2.gz BCQOACMIMVYTCI-UHFFFAOYSA-N -1 1 396.455 1.666 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccc(OCC2CC2)cc1 ZINC000825933299 608211623 /nfs/dbraw/zinc/21/16/23/608211623.db2.gz BCQOACMIMVYTCI-UHFFFAOYSA-N -1 1 396.455 1.666 20 0 GDADMM COc1cccc([C@H]2C[C@H]2C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000826215726 608212235 /nfs/dbraw/zinc/21/22/35/608212235.db2.gz XGRZTIUXJNUGQK-ZIAGYGMSSA-N -1 1 396.455 1.375 20 0 GDADMM COc1cccc([C@H]2C[C@H]2C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000826215726 608212236 /nfs/dbraw/zinc/21/22/36/608212236.db2.gz XGRZTIUXJNUGQK-ZIAGYGMSSA-N -1 1 396.455 1.375 20 0 GDADMM COc1ccc([C@@H](C)C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000826188284 608213110 /nfs/dbraw/zinc/21/31/10/608213110.db2.gz SGDDFHHSPRFKQX-LLVKDONJSA-N -1 1 384.444 1.375 20 0 GDADMM COc1ccc([C@@H](C)C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000826188284 608213112 /nfs/dbraw/zinc/21/31/12/608213112.db2.gz SGDDFHHSPRFKQX-LLVKDONJSA-N -1 1 384.444 1.375 20 0 GDADMM Cc1ccc(C(C)(C)C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000826282484 608213177 /nfs/dbraw/zinc/21/31/77/608213177.db2.gz QJXUHYAKFSZLSC-UHFFFAOYSA-N -1 1 382.472 1.849 20 0 GDADMM Cc1ccc(C(C)(C)C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000826282484 608213179 /nfs/dbraw/zinc/21/31/79/608213179.db2.gz QJXUHYAKFSZLSC-UHFFFAOYSA-N -1 1 382.472 1.849 20 0 GDADMM CCc1ccc(C2=CCN(c3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)CC2)cc1 ZINC000825704811 608237204 /nfs/dbraw/zinc/23/72/04/608237204.db2.gz NOTFHQJJWUKNJH-UHFFFAOYSA-N -1 1 393.451 1.120 20 0 GDADMM CC(C)N(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000824288798 608240742 /nfs/dbraw/zinc/24/07/42/608240742.db2.gz OYTSUKBNEAEVFF-UHFFFAOYSA-N -1 1 399.448 1.747 20 0 GDADMM CC[C@H]1CN(CC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CCN1CC(F)F ZINC000825213514 608257759 /nfs/dbraw/zinc/25/77/59/608257759.db2.gz ZLBQTISHTZAYMR-LBPRGKRZSA-N -1 1 397.430 1.676 20 0 GDADMM COC[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)c(F)c1 ZINC000826150926 608308286 /nfs/dbraw/zinc/30/82/86/608308286.db2.gz OVRVJTAQTWWTKE-AWEZNQCLSA-N -1 1 396.379 1.206 20 0 GDADMM COC[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)c(F)c1 ZINC000826150926 608308289 /nfs/dbraw/zinc/30/82/89/608308289.db2.gz OVRVJTAQTWWTKE-AWEZNQCLSA-N -1 1 396.379 1.206 20 0 GDADMM Cc1nn(-c2ccccc2)c(CN2CC(=O)N[C@@H]3CCCC[C@@H]32)c1-c1nn[n-]n1 ZINC000826332025 608317704 /nfs/dbraw/zinc/31/77/04/608317704.db2.gz HMDJQCLJWZTHPV-CVEARBPZSA-N -1 1 392.467 1.604 20 0 GDADMM CCOC(=O)C[C@@H](O)Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21 ZINC000825506464 608330003 /nfs/dbraw/zinc/33/00/03/608330003.db2.gz KISWFNXWEPDXLP-SNVBAGLBSA-N -1 1 377.788 1.149 20 0 GDADMM CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825193106 608340144 /nfs/dbraw/zinc/34/01/44/608340144.db2.gz KIHOFVCZXADABA-AAEUAGOBSA-N -1 1 388.476 1.842 20 0 GDADMM CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825193106 608340146 /nfs/dbraw/zinc/34/01/46/608340146.db2.gz KIHOFVCZXADABA-AAEUAGOBSA-N -1 1 388.476 1.842 20 0 GDADMM Cc1ccccc1[C@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826306086 608340846 /nfs/dbraw/zinc/34/08/46/608340846.db2.gz PVACHOCCMWWULR-LBPRGKRZSA-N -1 1 396.455 1.943 20 0 GDADMM Cc1ccccc1[C@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826306086 608340848 /nfs/dbraw/zinc/34/08/48/608340848.db2.gz PVACHOCCMWWULR-LBPRGKRZSA-N -1 1 396.455 1.943 20 0 GDADMM CC[C@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CCS1 ZINC000825203657 608354955 /nfs/dbraw/zinc/35/49/55/608354955.db2.gz NXHBXKLBDYNNFW-JTQLQIEISA-N -1 1 392.489 1.111 20 0 GDADMM CC[C@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CCS1 ZINC000825203657 608354957 /nfs/dbraw/zinc/35/49/57/608354957.db2.gz NXHBXKLBDYNNFW-JTQLQIEISA-N -1 1 392.489 1.111 20 0 GDADMM CCC1(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CCCC1 ZINC000825170541 608358346 /nfs/dbraw/zinc/35/83/46/608358346.db2.gz BMJJNDQCNBLHRJ-UHFFFAOYSA-N -1 1 388.476 1.843 20 0 GDADMM CCC1(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CCCC1 ZINC000825170541 608358349 /nfs/dbraw/zinc/35/83/49/608358349.db2.gz BMJJNDQCNBLHRJ-UHFFFAOYSA-N -1 1 388.476 1.843 20 0 GDADMM O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826453738 608402799 /nfs/dbraw/zinc/40/27/99/608402799.db2.gz XOZHPZIZXNRQSX-SNVBAGLBSA-N -1 1 385.819 1.560 20 0 GDADMM O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826453738 608402800 /nfs/dbraw/zinc/40/28/00/608402800.db2.gz XOZHPZIZXNRQSX-SNVBAGLBSA-N -1 1 385.819 1.560 20 0 GDADMM O=C(c1ccc(Cl)cc1)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826473339 608403901 /nfs/dbraw/zinc/40/39/01/608403901.db2.gz UDJURGGWBKMLRR-UHFFFAOYSA-N -1 1 384.831 1.663 20 0 GDADMM O=C(c1ccc(Cl)cc1)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826473339 608403902 /nfs/dbraw/zinc/40/39/02/608403902.db2.gz UDJURGGWBKMLRR-UHFFFAOYSA-N -1 1 384.831 1.663 20 0 GDADMM C[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000824992615 608425819 /nfs/dbraw/zinc/42/58/19/608425819.db2.gz NHPKUIPWMPXCFS-LBPRGKRZSA-N -1 1 398.858 1.590 20 0 GDADMM C[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000824992615 608425820 /nfs/dbraw/zinc/42/58/20/608425820.db2.gz NHPKUIPWMPXCFS-LBPRGKRZSA-N -1 1 398.858 1.590 20 0 GDADMM Cc1nnc(COC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)n1C1CC1 ZINC000826232610 608439371 /nfs/dbraw/zinc/43/93/71/608439371.db2.gz ADOASKPPIJGANH-UHFFFAOYSA-N -1 1 398.427 1.495 20 0 GDADMM NC(=O)NC1(C(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)CC1 ZINC000826392396 608448804 /nfs/dbraw/zinc/44/88/04/608448804.db2.gz WWFYIDVLYQWSLO-UHFFFAOYSA-N -1 1 383.437 1.412 20 0 GDADMM Cc1cnccc1NC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000826319520 608475818 /nfs/dbraw/zinc/47/58/18/608475818.db2.gz GZEAJNJHAUHKEX-UHFFFAOYSA-N -1 1 395.427 1.212 20 0 GDADMM Cc1ccc(-c2nn[n-]n2)nc1NCC[C@](O)(c1nccn1C)C(F)(F)F ZINC000826280746 608542634 /nfs/dbraw/zinc/54/26/34/608542634.db2.gz OBPIHYUCRPMJFF-AWEZNQCLSA-N -1 1 382.350 1.556 20 0 GDADMM CO[C@@H]1CCC[C@H]1CNC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000826146372 608547305 /nfs/dbraw/zinc/54/73/05/608547305.db2.gz UPWNXASLKPYSAG-XJKSGUPXSA-N -1 1 398.471 1.390 20 0 GDADMM CO[C@@H]1CCC[C@H]1CNC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000826146372 608547306 /nfs/dbraw/zinc/54/73/06/608547306.db2.gz UPWNXASLKPYSAG-XJKSGUPXSA-N -1 1 398.471 1.390 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1c(F)c(F)cc(F)c1F ZINC000825930317 608555310 /nfs/dbraw/zinc/55/53/10/608555310.db2.gz SFDPDGSIMCCGGY-UHFFFAOYSA-N -1 1 398.324 1.433 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1c(F)c(F)cc(F)c1F ZINC000825930317 608555311 /nfs/dbraw/zinc/55/53/11/608555311.db2.gz SFDPDGSIMCCGGY-UHFFFAOYSA-N -1 1 398.324 1.433 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Cc1ccc(F)cc1Cl ZINC000825929824 608556982 /nfs/dbraw/zinc/55/69/82/608556982.db2.gz KRHWKEWOANQTGN-UHFFFAOYSA-N -1 1 392.826 1.598 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Cc1ccc(F)cc1Cl ZINC000825929824 608556983 /nfs/dbraw/zinc/55/69/83/608556983.db2.gz KRHWKEWOANQTGN-UHFFFAOYSA-N -1 1 392.826 1.598 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cccc([C@H]2CCOC2)c1 ZINC000825934355 608557866 /nfs/dbraw/zinc/55/78/66/608557866.db2.gz NWZJUXKZHMKMKV-AWEZNQCLSA-N -1 1 396.455 1.381 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cccc([C@H]2CCOC2)c1 ZINC000825934355 608557868 /nfs/dbraw/zinc/55/78/68/608557868.db2.gz NWZJUXKZHMKMKV-AWEZNQCLSA-N -1 1 396.455 1.381 20 0 GDADMM COC(=O)[C@@H]1CCCC[C@]1(C)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826132396 608588783 /nfs/dbraw/zinc/58/87/83/608588783.db2.gz DUTMZAXZPRQJNN-LRDDRELGSA-N -1 1 397.432 1.406 20 0 GDADMM c1nn2ccccc2c1CN1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000826525039 608591228 /nfs/dbraw/zinc/59/12/28/608591228.db2.gz TZUFWXCRUJFECD-UHFFFAOYSA-N -1 1 391.439 1.702 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(-n2ncc3ccccc32)cc1 ZINC000826425644 608592574 /nfs/dbraw/zinc/59/25/74/608592574.db2.gz MKQXPTPEKALXJH-UHFFFAOYSA-N -1 1 386.379 1.436 20 0 GDADMM CCc1ccc(O)c(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1 ZINC000825718097 608808571 /nfs/dbraw/zinc/80/85/71/608808571.db2.gz VZTKWDLARUWBRG-GFCCVEGCSA-N -1 1 394.439 1.276 20 0 GDADMM CCc1ccc(O)c(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1 ZINC000825718097 608808575 /nfs/dbraw/zinc/80/85/75/608808575.db2.gz VZTKWDLARUWBRG-GFCCVEGCSA-N -1 1 394.439 1.276 20 0 GDADMM O=C(Cn1ccnc1-c1nnn[n-]1)NCc1cccc(OCC(F)(F)F)c1 ZINC000826425119 608893832 /nfs/dbraw/zinc/89/38/32/608893832.db2.gz QGWYHNHABCPQOK-UHFFFAOYSA-N -1 1 381.318 1.321 20 0 GDADMM O=C(Cn1ccnc1-c1nn[n-]n1)NCc1cccc(OCC(F)(F)F)c1 ZINC000826425119 608893834 /nfs/dbraw/zinc/89/38/34/608893834.db2.gz QGWYHNHABCPQOK-UHFFFAOYSA-N -1 1 381.318 1.321 20 0 GDADMM CCNC(=O)CC(=O)Nc1ccc(Oc2ncccc2-c2nn[n-]n2)cc1C ZINC000825465032 609197539 /nfs/dbraw/zinc/19/75/39/609197539.db2.gz GMFDWDJGNNTDBB-UHFFFAOYSA-N -1 1 381.396 1.827 20 0 GDADMM CCOC(=O)CN(CC(C)C)C(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000825511897 609266814 /nfs/dbraw/zinc/26/68/14/609266814.db2.gz KBMXOURWGDHRNP-UHFFFAOYSA-N -1 1 394.457 1.351 20 0 GDADMM Cc1oc(NC(=O)COC(=O)C(C)(C)c2cccnc2)c(-c2nn[n-]n2)c1C ZINC000826342700 609294875 /nfs/dbraw/zinc/29/48/75/609294875.db2.gz WOVDDMDYGSUIJF-UHFFFAOYSA-N -1 1 384.396 1.931 20 0 GDADMM CCC(CC)N(CCOC)C(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000825107944 609297951 /nfs/dbraw/zinc/29/79/51/609297951.db2.gz SLYQJBVHLFWEJQ-UHFFFAOYSA-N -1 1 380.474 1.966 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)Nc2cc(C(N)=O)ccc2C)cc1-c1nn[n-]n1 ZINC000826229926 609298736 /nfs/dbraw/zinc/29/87/36/609298736.db2.gz WXYAWVYJZPXCRC-UHFFFAOYSA-N -1 1 385.409 1.349 20 0 GDADMM CCCC[C@H](CC)CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825261355 609298785 /nfs/dbraw/zinc/29/87/85/609298785.db2.gz XNANUQQRQKQAIX-LBPRGKRZSA-N -1 1 377.497 1.962 20 0 GDADMM CCCC[C@H](CC)CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825261355 609298787 /nfs/dbraw/zinc/29/87/87/609298787.db2.gz XNANUQQRQKQAIX-LBPRGKRZSA-N -1 1 377.497 1.962 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCc2nc3ccccc3n2C)cc1-c1nn[n-]n1 ZINC000826229919 609298955 /nfs/dbraw/zinc/29/89/55/609298955.db2.gz WTBARGYUZVVXTI-UHFFFAOYSA-N -1 1 396.436 1.506 20 0 GDADMM COc1ccccc1[C@@H](C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826219250 609299797 /nfs/dbraw/zinc/29/97/97/609299797.db2.gz WYVQHFSSEWTQMY-LLVKDONJSA-N -1 1 399.459 1.516 20 0 GDADMM COc1ccccc1[C@@H](C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826219250 609299799 /nfs/dbraw/zinc/29/97/99/609299799.db2.gz WYVQHFSSEWTQMY-LLVKDONJSA-N -1 1 399.459 1.516 20 0 GDADMM C[C@H]1C[C@H]1c1ccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)o1 ZINC000824900911 609300019 /nfs/dbraw/zinc/30/00/19/609300019.db2.gz WPDOAMCKDJMFLQ-CMPLNLGQSA-N -1 1 399.459 1.663 20 0 GDADMM C[C@H]1C[C@H]1c1ccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)o1 ZINC000824900911 609300022 /nfs/dbraw/zinc/30/00/22/609300022.db2.gz WPDOAMCKDJMFLQ-CMPLNLGQSA-N -1 1 399.459 1.663 20 0 GDADMM CC[C@@H]1CCCC[C@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825194352 609300195 /nfs/dbraw/zinc/30/01/95/609300195.db2.gz POJJYLGZMFUPPL-VXGBXAGGSA-N -1 1 375.481 1.715 20 0 GDADMM CC[C@@H]1CCCC[C@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825194352 609300196 /nfs/dbraw/zinc/30/01/96/609300196.db2.gz POJJYLGZMFUPPL-VXGBXAGGSA-N -1 1 375.481 1.715 20 0 GDADMM CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824217042 609301477 /nfs/dbraw/zinc/30/14/77/609301477.db2.gz XMBNFEVWWWYOQJ-STQMWFEESA-N -1 1 389.508 1.961 20 0 GDADMM CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824217042 609301479 /nfs/dbraw/zinc/30/14/79/609301479.db2.gz XMBNFEVWWWYOQJ-STQMWFEESA-N -1 1 389.508 1.961 20 0 GDADMM C[C@@H]1CCCC[C@@H]1CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824936754 609302291 /nfs/dbraw/zinc/30/22/91/609302291.db2.gz LTXAVOQTBRQLOL-CHWSQXEVSA-N -1 1 389.508 1.962 20 0 GDADMM C[C@@H]1CCCC[C@@H]1CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824936754 609302292 /nfs/dbraw/zinc/30/22/92/609302292.db2.gz LTXAVOQTBRQLOL-CHWSQXEVSA-N -1 1 389.508 1.962 20 0 GDADMM C[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)C1CCCCC1 ZINC000824492011 609303579 /nfs/dbraw/zinc/30/35/79/609303579.db2.gz WMXYMECYRNKPFS-NSHDSACASA-N -1 1 375.481 1.715 20 0 GDADMM C[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)C1CCCCC1 ZINC000824492011 609303581 /nfs/dbraw/zinc/30/35/81/609303581.db2.gz WMXYMECYRNKPFS-NSHDSACASA-N -1 1 375.481 1.715 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000825929097 609304240 /nfs/dbraw/zinc/30/42/40/609304240.db2.gz AKWXTKYZGYDSQZ-OCCSQVGLSA-N -1 1 387.492 1.715 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000825929097 609304243 /nfs/dbraw/zinc/30/42/43/609304243.db2.gz AKWXTKYZGYDSQZ-OCCSQVGLSA-N -1 1 387.492 1.715 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)[C@H](O)c1ccccc1 ZINC000826458242 609313568 /nfs/dbraw/zinc/31/35/68/609313568.db2.gz IUXKWJSFAAKFOT-MRXNPFEDSA-N -1 1 379.355 1.864 20 0 GDADMM COCCn1cc(CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cn1 ZINC000826163915 609319638 /nfs/dbraw/zinc/31/96/38/609319638.db2.gz QREPUQONFLRKDT-UHFFFAOYSA-N -1 1 383.391 1.647 20 0 GDADMM CC[C@H](C)N(C)C(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825068482 609353567 /nfs/dbraw/zinc/35/35/67/609353567.db2.gz SHQHLVLQAMXJOE-JTQLQIEISA-N -1 1 386.391 1.387 20 0 GDADMM CC1(NC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CCOCC1 ZINC000824832632 609357738 /nfs/dbraw/zinc/35/77/38/609357738.db2.gz UKXXGQAQTRJWPP-UHFFFAOYSA-N -1 1 386.391 1.882 20 0 GDADMM C[C@H](CO)CCCNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824435760 609357868 /nfs/dbraw/zinc/35/78/68/609357868.db2.gz PGMZZBRAKQIALH-NSHDSACASA-N -1 1 388.407 1.722 20 0 GDADMM CC[C@@H](O)CCCNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825155039 609360556 /nfs/dbraw/zinc/36/05/56/609360556.db2.gz XTHOSNVASYCUQX-LLVKDONJSA-N -1 1 388.407 1.864 20 0 GDADMM C[C@@H](NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)[C@@H]1CCCO1 ZINC000824507060 609362151 /nfs/dbraw/zinc/36/21/51/609362151.db2.gz SMMAYNNCCSHLDW-MFKMUULPSA-N -1 1 386.391 1.881 20 0 GDADMM O=S(=O)(Nc1ccccc1)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC000826492755 609366752 /nfs/dbraw/zinc/36/67/52/609366752.db2.gz BJBPOTALXASKMQ-ZDUSSCGKSA-N -1 1 386.441 1.067 20 0 GDADMM O=S(=O)(Nc1ccccc1)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC000826492755 609366754 /nfs/dbraw/zinc/36/67/54/609366754.db2.gz BJBPOTALXASKMQ-ZDUSSCGKSA-N -1 1 386.441 1.067 20 0 GDADMM CCC[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825252189 609368428 /nfs/dbraw/zinc/36/84/28/609368428.db2.gz HEBHSBUHGMGVDQ-PWSUYJOCSA-N -1 1 398.402 1.435 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OC[C@@H]1CCO[C@@H](C)C1 ZINC000826233112 609388310 /nfs/dbraw/zinc/38/83/10/609388310.db2.gz UPELTHYCCXKSMZ-GXFFZTMASA-N -1 1 375.429 1.875 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OC[C@@H]1CCO[C@@H](C)C1 ZINC000826328435 609391480 /nfs/dbraw/zinc/39/14/80/609391480.db2.gz REJNHNQUEYGXQW-SMDDNHRTSA-N -1 1 399.455 1.817 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OC[C@@H]1CCO[C@@H](C)C1 ZINC000826328435 609391483 /nfs/dbraw/zinc/39/14/83/609391483.db2.gz REJNHNQUEYGXQW-SMDDNHRTSA-N -1 1 399.455 1.817 20 0 GDADMM 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CCOC(=O)[C@@H](COC(=O)c1ccc(S(=O)(=O)[N-]C)o1)CC(C)(C)C ZINC000836050621 655131252 /nfs/dbraw/zinc/13/12/52/655131252.db2.gz LRVQUEDOTBEXHC-LLVKDONJSA-N -1 1 375.443 1.960 20 0 GDADMM O=C([N-]C[C@H]1CCCN([C@H]2CCN(CC(F)(F)F)C2=O)C1)C(F)(F)F ZINC000810069865 655147796 /nfs/dbraw/zinc/14/77/96/655147796.db2.gz JRRPOJCGQGKGQW-ZJUUUORDSA-N -1 1 375.313 1.540 20 0 GDADMM CC(C)[C@@H](CO)O[N-]C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000836906082 655159867 /nfs/dbraw/zinc/15/98/67/655159867.db2.gz NPCIFGONNDELJS-CQSZACIVSA-N -1 1 390.527 1.530 20 0 GDADMM CCOC(=O)C[N-]S(=O)(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000795102716 655161094 /nfs/dbraw/zinc/16/10/94/655161094.db2.gz RSFOLSVUSKGFEG-UHFFFAOYSA-N -1 1 376.228 1.665 20 0 GDADMM Cc1ncc(NC(=O)C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)s1 ZINC000810457079 655161902 /nfs/dbraw/zinc/16/19/02/655161902.db2.gz AAVRSULEWZLDAT-SECBINFHSA-N -1 1 378.376 1.307 20 0 GDADMM COCCS(=O)(=O)c1ccc([N-]S(=O)(=O)C[C@H]2CCCOC2)cc1 ZINC000795326725 655171583 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Cn1[n-]c(COC(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)nc1=O ZINC000765502903 655241959 /nfs/dbraw/zinc/24/19/59/655241959.db2.gz OWSAPQKRDCTQFH-CQSZACIVSA-N -1 1 395.257 1.751 20 0 GDADMM Cn1cc(S(=O)(=O)[N-]C[C@@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)nc1Cl ZINC000813737130 655244149 /nfs/dbraw/zinc/24/41/49/655244149.db2.gz MWRBRQKEDAQNAC-UWVGGRQHSA-N -1 1 396.872 1.699 20 0 GDADMM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC)[C@H](O)C(F)(F)F ZINC000765743772 655248342 /nfs/dbraw/zinc/24/83/42/655248342.db2.gz ZJEBSKPWPCYXST-WKEGUHRASA-N -1 1 390.767 1.502 20 0 GDADMM COc1ccccc1S(=O)(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000798463189 655267367 /nfs/dbraw/zinc/26/73/67/655267367.db2.gz WBIONPWRKFANBJ-UHFFFAOYSA-N -1 1 380.388 1.774 20 0 GDADMM CC(C)[C@@H](C(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)N(C)C ZINC000798844365 655279426 /nfs/dbraw/zinc/27/94/26/655279426.db2.gz WOTOVULNCSKJJX-OLZOCXBDSA-N -1 1 377.507 1.028 20 0 GDADMM Cc1ncc(NC(=O)C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)s1 ZINC000799265701 655287442 /nfs/dbraw/zinc/28/74/42/655287442.db2.gz NEHARSUIXJEOAX-UHFFFAOYSA-N -1 1 378.376 1.307 20 0 GDADMM CC(C)(C)OC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)c1c([O-])cccc1Cl ZINC000840563128 655292999 /nfs/dbraw/zinc/29/29/99/655292999.db2.gz RJHSPDGERASTTH-NSHDSACASA-N -1 1 389.857 1.627 20 0 GDADMM CN(C)c1cc(Br)cc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)c1 ZINC000815519954 655298761 /nfs/dbraw/zinc/29/87/61/655298761.db2.gz MMAJBIUCBKAPFQ-GFCCVEGCSA-N -1 1 381.234 1.242 20 0 GDADMM CCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)OCC)c(Cl)cc1F ZINC000841476024 655326557 /nfs/dbraw/zinc/32/65/57/655326557.db2.gz CYYUSFXIHOGONT-MRVPVSSYSA-N -1 1 380.825 1.459 20 0 GDADMM CCOC(=O)c1cc(S(=O)(=O)[N-]CC(=O)OCC2CC2)c(F)cc1Cl ZINC000841479094 655327024 /nfs/dbraw/zinc/32/70/24/655327024.db2.gz IXPAUHIVUZQXNB-UHFFFAOYSA-N -1 1 393.820 1.887 20 0 GDADMM CCOC(=O)c1cc(S(=O)(=O)[N-]C[C@@](C)(O)CCOC)c(F)cc1Cl ZINC000841493579 655328926 /nfs/dbraw/zinc/32/89/26/655328926.db2.gz SNWBAAIPMYXOGH-HNNXBMFYSA-N -1 1 397.852 1.722 20 0 GDADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000841563394 655348109 /nfs/dbraw/zinc/34/81/09/655348109.db2.gz XHLBQWWDMVVPEH-GFCCVEGCSA-N -1 1 386.836 1.605 20 0 GDADMM CNS(=O)(=O)CCCN1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817292017 655349500 /nfs/dbraw/zinc/34/95/00/655349500.db2.gz GOHYZUPKPIWYNQ-GFCCVEGCSA-N -1 1 379.404 1.036 20 0 GDADMM CO[C@@H](CS(=O)(=O)NN=c1c(F)c(F)[n-]c(F)c1F)C1CCOCC1 ZINC000842574630 655369013 /nfs/dbraw/zinc/36/90/13/655369013.db2.gz IAFURHZJBDBERP-QMMMGPOBSA-N -1 1 387.355 1.326 20 0 GDADMM C[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)c1ccc(F)c(Br)c1 ZINC000818327824 655372479 /nfs/dbraw/zinc/37/24/79/655372479.db2.gz VBSGBRNGSVKCGI-VIFPVBQESA-N -1 1 384.205 1.706 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)[N-]C(C)(C)c2cn(C)nn2)c(F)cc1Cl ZINC000842825552 655379706 /nfs/dbraw/zinc/37/97/06/655379706.db2.gz RNCLYKCXRJYRRV-UHFFFAOYSA-N -1 1 390.824 1.608 20 0 GDADMM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]C(=O)[C@H](C(C)C)N(C)C ZINC000842922908 655384831 /nfs/dbraw/zinc/38/48/31/655384831.db2.gz ZBCWMKXDCPOZKB-ZDUSSCGKSA-N -1 1 376.862 1.518 20 0 GDADMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2cncc(Br)c2)CCC1 ZINC000843018929 655386975 /nfs/dbraw/zinc/38/69/75/655386975.db2.gz GZKKLKFGYPIVEF-UHFFFAOYSA-N -1 1 376.276 1.388 20 0 GDADMM O=C(Cc1cc(F)ccc1Br)N1CCC(O)(c2nn[n-]n2)CC1 ZINC000819620723 655393672 /nfs/dbraw/zinc/39/36/72/655393672.db2.gz RWSSIZGHJMOWNS-UHFFFAOYSA-N -1 1 384.209 1.154 20 0 GDADMM COc1cc(Br)ccc1C(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC000819620567 655393685 /nfs/dbraw/zinc/39/36/85/655393685.db2.gz PUJOFVPXIJKLDW-UHFFFAOYSA-N -1 1 382.218 1.095 20 0 GDADMM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]c1ccc(CCS(C)(=O)=O)cc1 ZINC000844659213 655412789 /nfs/dbraw/zinc/41/27/89/655412789.db2.gz QCRCAWQIMBKSJJ-HNNXBMFYSA-N -1 1 391.511 1.747 20 0 GDADMM O=C(N[C@@H]1CCCc2cn[nH]c21)c1cnc(I)c([O-])c1 ZINC000821026582 655421171 /nfs/dbraw/zinc/42/11/71/655421171.db2.gz ZDIRFQHXYKKYAN-SECBINFHSA-N -1 1 384.177 1.922 20 0 GDADMM CCN(C)S(=O)(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821165024 655423733 /nfs/dbraw/zinc/42/37/33/655423733.db2.gz NDUILFWGYKYJNO-UHFFFAOYSA-N -1 1 378.483 1.881 20 0 GDADMM Cc1nn(CC(=O)Nc2c([O-])cc(Br)cc2Cl)c(=O)n1C ZINC000848063269 655481467 /nfs/dbraw/zinc/48/14/67/655481467.db2.gz FPWOQKMDJGLSOM-UHFFFAOYSA-N -1 1 375.610 1.650 20 0 GDADMM CSCCCCNC(=O)C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000848934780 655502228 /nfs/dbraw/zinc/50/22/28/655502228.db2.gz NXSCLJHBBRYCOO-GHMZBOCLSA-N -1 1 383.436 1.304 20 0 GDADMM C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cccc(Cl)n2)[C@H]1C ZINC000848956876 655505287 /nfs/dbraw/zinc/50/52/87/655505287.db2.gz CMKBLDMDVXOWQS-MNOVXSKESA-N -1 1 381.907 1.537 20 0 GDADMM Cc1c([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@H](F)C2)n[nH]c1C1CC1 ZINC000848961485 655508922 /nfs/dbraw/zinc/50/89/22/655508922.db2.gz YSIHTKUZNWVECD-LBPRGKRZSA-N -1 1 394.494 1.101 20 0 GDADMM C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(Cl)n1)C1CCC1 ZINC000848965148 655512207 /nfs/dbraw/zinc/51/22/07/655512207.db2.gz JSHWOWCSCMSEFP-NSHDSACASA-N -1 1 395.934 1.975 20 0 GDADMM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)c2ccc[nH]2)c1C ZINC000848965386 655512453 /nfs/dbraw/zinc/51/24/53/655512453.db2.gz NRFYZLGZRRHMFW-LBPRGKRZSA-N -1 1 389.503 1.167 20 0 GDADMM Cc1cccc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@H]2CCC=CO2)n1 ZINC000848966656 655513351 /nfs/dbraw/zinc/51/33/51/655513351.db2.gz XFTWZJCAUISCCC-CQSZACIVSA-N -1 1 389.499 1.134 20 0 GDADMM C[C@H]1CCC[C@@H]1NS(=O)(=O)CCCCS(=O)(=O)[N-]c1cccc(F)n1 ZINC000848967805 655514485 /nfs/dbraw/zinc/51/44/85/655514485.db2.gz HQJNQJHYKGQANS-STQMWFEESA-N -1 1 393.506 1.851 20 0 GDADMM CC[C@H]1CCN1S(=O)(=O)CCCCS(=O)(=O)[N-]c1cccc(F)n1 ZINC000848969932 655516575 /nfs/dbraw/zinc/51/65/75/655516575.db2.gz HYWHLPQQNVPTCZ-LBPRGKRZSA-N -1 1 379.479 1.557 20 0 GDADMM COCC1(CC[N-]S(=O)(=O)c2cc(C(=O)OC)oc2Br)CC1 ZINC000827889564 655517604 /nfs/dbraw/zinc/51/76/04/655517604.db2.gz IKKPMHQSALSDHC-UHFFFAOYSA-N -1 1 396.259 1.924 20 0 GDADMM Cc1ccc(Br)c2cc(C(=O)N3CCOC[C@H]3c3nn[n-]n3)[nH]c21 ZINC000827961749 655517959 /nfs/dbraw/zinc/51/79/59/655517959.db2.gz TXYZFVXAZHMDLG-LBPRGKRZSA-N -1 1 391.229 1.966 20 0 GDADMM COC(=O)[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000828011320 655518282 /nfs/dbraw/zinc/51/82/82/655518282.db2.gz CFTIHSBFUPHDFM-VIFPVBQESA-N -1 1 396.307 1.747 20 0 GDADMM C[C@H]1CCN(CCNS(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)C1 ZINC000828290282 655520310 /nfs/dbraw/zinc/52/03/10/655520310.db2.gz XYXKVYVKCADKTK-JTQLQIEISA-N -1 1 391.287 1.767 20 0 GDADMM CCOC(=O)[C@@H](CC1CC1)[N-]S(=O)(=O)c1ncccc1Br ZINC000849380672 655524453 /nfs/dbraw/zinc/52/44/53/655524453.db2.gz ZXMFFVQNKMMLIA-LLVKDONJSA-N -1 1 377.260 1.854 20 0 GDADMM COC(=O)C[C@]1([N-]S(=O)(=O)c2ncccc2Br)CCCOC1 ZINC000849387572 655525630 /nfs/dbraw/zinc/52/56/30/655525630.db2.gz TXOQBDGZYQFSRO-CYBMUJFWSA-N -1 1 393.259 1.235 20 0 GDADMM CO[C@H](C[N-]S(=O)(=O)c1cc(Br)cnc1Cl)[C@H]1CCOC1 ZINC000849414468 655529894 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RSJUJXWBVVLPIC-DZKIICNBSA-N -1 1 397.472 1.839 20 0 GDADMM O=C([O-])[C@H](C(=O)NCCCCN1CCN(c2ncccn2)CC1)C1CCCC1 ZINC000663062105 939851803 /nfs/dbraw/zinc/85/18/03/939851803.db2.gz RDPUPJRPYWJTOG-KRWDZBQOSA-N -1 1 389.500 1.386 20 0 GDADMM CC(C)(C)OC(=O)[C@@H]1CN(c2c3ccccc3nnc2-c2nnn[n-]2)CCO1 ZINC000819928114 945314063 /nfs/dbraw/zinc/31/40/63/945314063.db2.gz ILVLLCMRRBLGCU-ZDUSSCGKSA-N -1 1 383.412 1.357 20 0 GDADMM CC(C)(C)OC(=O)[C@@H]1CN(c2c3ccccc3nnc2-c2nn[n-]n2)CCO1 ZINC000819928114 945314071 /nfs/dbraw/zinc/31/40/71/945314071.db2.gz ILVLLCMRRBLGCU-ZDUSSCGKSA-N -1 1 383.412 1.357 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc1-c1nn[n-]n1 ZINC000737186113 944979284 /nfs/dbraw/zinc/97/92/84/944979284.db2.gz HFJSQJOMVHTZRD-AVPPRXQKSA-N -1 1 376.442 1.233 20 0 GDADMM CCc1nc(N[C@H]2C[C@H](CNC(=O)c3cscn3)C2)cc(-c2nnn[n-]2)n1 ZINC001571261119 945422074 /nfs/dbraw/zinc/42/20/74/945422074.db2.gz AMKMQZCBRYLSFH-MGCOHNPYSA-N -1 1 385.457 1.296 20 0 GDADMM CCc1nc(N[C@H]2C[C@H](CNC(=O)c3cscn3)C2)cc(-c2nn[n-]n2)n1 ZINC001571261119 945422082 /nfs/dbraw/zinc/42/20/82/945422082.db2.gz AMKMQZCBRYLSFH-MGCOHNPYSA-N -1 1 385.457 1.296 20 0 GDADMM CC(C)c1nc(C(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)cs1 ZINC001571261112 945423329 /nfs/dbraw/zinc/42/33/29/945423329.db2.gz ACBLKUDIZGJVBO-JTQLQIEISA-N -1 1 385.457 1.563 20 0 GDADMM CC(C)c1nc(C(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)cs1 ZINC001571261112 945423335 /nfs/dbraw/zinc/42/33/35/945423335.db2.gz ACBLKUDIZGJVBO-JTQLQIEISA-N -1 1 385.457 1.563 20 0 GDADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CCN(C(=O)c2cncs2)CC1 ZINC001571261424 945426469 /nfs/dbraw/zinc/42/64/69/945426469.db2.gz FBUUCHQLQVLOQQ-JTQLQIEISA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CCN(C(=O)c2cncs2)CC1 ZINC001571261424 945426475 /nfs/dbraw/zinc/42/64/75/945426475.db2.gz FBUUCHQLQVLOQQ-JTQLQIEISA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccns2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571261885 945433893 /nfs/dbraw/zinc/43/38/93/945433893.db2.gz LKVSWROFKWAKIK-WDEREUQCSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccns2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571261885 945433905 /nfs/dbraw/zinc/43/39/05/945433905.db2.gz LKVSWROFKWAKIK-WDEREUQCSA-N -1 1 385.457 1.466 20 0 GDADMM O=C(NC[C@@H]1CCCCCN1c1ccnc(-c2nn[n-]n2)n1)c1ccns1 ZINC001571263269 945453504 /nfs/dbraw/zinc/45/35/04/945453504.db2.gz LPUHFTCJICURQI-NSHDSACASA-N -1 1 385.457 1.292 20 0 GDADMM O=C(Cc1cncs1)N[C@H]1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571263207 945454512 /nfs/dbraw/zinc/45/45/12/945454512.db2.gz JYVFJZRNGKHOQQ-QWRGUYRKSA-N -1 1 385.457 1.053 20 0 GDADMM O=C(Cc1cncs1)N[C@H]1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571263207 945454519 /nfs/dbraw/zinc/45/45/19/945454519.db2.gz JYVFJZRNGKHOQQ-QWRGUYRKSA-N -1 1 385.457 1.053 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)c3nccs3)[C@@H](C)C2)n1 ZINC001571263613 945463524 /nfs/dbraw/zinc/46/35/24/945463524.db2.gz UXNMCGFAWADJJJ-WDEREUQCSA-N -1 1 385.457 1.527 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)c3nccs3)[C@@H](C)C2)n1 ZINC001571263613 945463528 /nfs/dbraw/zinc/46/35/28/945463528.db2.gz UXNMCGFAWADJJJ-WDEREUQCSA-N -1 1 385.457 1.527 20 0 GDADMM Cc1nsc(N2CCC(NC(=O)c3cncnc3C)CC2)c1-c1nn[n-]n1 ZINC001571263881 945468989 /nfs/dbraw/zinc/46/89/89/945468989.db2.gz ZATAAUZOLFURNT-UHFFFAOYSA-N -1 1 385.457 1.129 20 0 GDADMM CN(c1nccnc1-c1nnn[n-]1)[C@H]1CCN(C(=O)c2ccc(Cl)cn2)C1 ZINC001571265611 945516599 /nfs/dbraw/zinc/51/65/99/945516599.db2.gz MNMZMZWOTFBDDH-NSHDSACASA-N -1 1 385.819 1.056 20 0 GDADMM CN(c1nccnc1-c1nn[n-]n1)[C@H]1CCN(C(=O)c2ccc(Cl)cn2)C1 ZINC001571265611 945516608 /nfs/dbraw/zinc/51/66/08/945516608.db2.gz MNMZMZWOTFBDDH-NSHDSACASA-N -1 1 385.819 1.056 20 0 GDADMM COCC(=O)N1CC[C@@H](CNc2nc(-c3nn[n-]n3)c(Cl)s2)[C@H](C)C1 ZINC001571266222 945533841 /nfs/dbraw/zinc/53/38/41/945533841.db2.gz YEFJPUABRJYOKI-BDAKNGLRSA-N -1 1 385.881 1.520 20 0 GDADMM CN(C(=O)c1cc(F)cc(F)c1)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571267232 945565447 /nfs/dbraw/zinc/56/54/47/945565447.db2.gz NGKFJVXJJKNYQM-CYBMUJFWSA-N -1 1 386.366 1.286 20 0 GDADMM CN(C(=O)c1cc(F)cc(F)c1)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571267232 945565455 /nfs/dbraw/zinc/56/54/55/945565455.db2.gz NGKFJVXJJKNYQM-CYBMUJFWSA-N -1 1 386.366 1.286 20 0 GDADMM Cc1cc(F)c(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)cc1F ZINC001571267347 945566773 /nfs/dbraw/zinc/56/67/73/945566773.db2.gz RINCEUHWCJZCGC-SNVBAGLBSA-N -1 1 386.366 1.252 20 0 GDADMM COc1cc(C(=O)N2CC[C@@H](Nc3snc(C)c3-c3nn[n-]n3)C2)ccn1 ZINC001571269613 945621997 /nfs/dbraw/zinc/62/19/97/945621997.db2.gz AGIFRBUKHYJMBF-LLVKDONJSA-N -1 1 386.441 1.362 20 0 GDADMM COCc1sccc1C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571270033 945629930 /nfs/dbraw/zinc/62/99/30/945629930.db2.gz LBODZNYJOPHLHN-AOOOYVTPSA-N -1 1 386.441 1.238 20 0 GDADMM COCc1sccc1C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571270033 945629940 /nfs/dbraw/zinc/62/99/40/945629940.db2.gz LBODZNYJOPHLHN-AOOOYVTPSA-N -1 1 386.441 1.238 20 0 GDADMM O=C(c1cnsn1)N1CCCC[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001571270487 945637381 /nfs/dbraw/zinc/63/73/81/945637381.db2.gz UEGWLQZQLLIRRN-JTQLQIEISA-N -1 1 386.445 1.005 20 0 GDADMM O=C(c1cnsn1)N1CCCC[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001571270487 945637384 /nfs/dbraw/zinc/63/73/84/945637384.db2.gz UEGWLQZQLLIRRN-JTQLQIEISA-N -1 1 386.445 1.005 20 0 GDADMM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1)c1ccoc1Cl ZINC001571271569 945644490 /nfs/dbraw/zinc/64/44/90/945644490.db2.gz DPIYPTHFXHWKLT-MIMYLULJSA-N -1 1 386.803 1.443 20 0 GDADMM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1)c1ccoc1Cl ZINC001571271569 945644496 /nfs/dbraw/zinc/64/44/96/945644496.db2.gz DPIYPTHFXHWKLT-MIMYLULJSA-N -1 1 386.803 1.443 20 0 GDADMM Cc1nsc(N2CCC[C@@H](NC(=O)c3ccn(C)c3C)C2)c1-c1nn[n-]n1 ZINC001571271711 945648156 /nfs/dbraw/zinc/64/81/56/945648156.db2.gz HYWMZFJVBLFPNM-GFCCVEGCSA-N -1 1 386.485 1.677 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCN(C(=O)[C@H]3CCCOCC3)C2)n1 ZINC001571273441 945689187 /nfs/dbraw/zinc/68/91/87/945689187.db2.gz XNQLBVMXGVHCEL-UONOGXRCSA-N -1 1 386.460 1.185 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCN(C(=O)[C@H]3CCCOCC3)C2)n1 ZINC001571273441 945689189 /nfs/dbraw/zinc/68/91/89/945689189.db2.gz XNQLBVMXGVHCEL-UONOGXRCSA-N -1 1 386.460 1.185 20 0 GDADMM CO[C@H](C(=O)N1CC[C@](C)(CNc2cncc(-c3nnn[n-]3)n2)C1)C1CCC1 ZINC001571273530 945689845 /nfs/dbraw/zinc/68/98/45/945689845.db2.gz ZGSBWOBYIZHLNA-MAUKXSAKSA-N -1 1 386.460 1.122 20 0 GDADMM CO[C@H](C(=O)N1CC[C@](C)(CNc2cncc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001571273530 945689860 /nfs/dbraw/zinc/68/98/60/945689860.db2.gz ZGSBWOBYIZHLNA-MAUKXSAKSA-N -1 1 386.460 1.122 20 0 GDADMM CC[C@H]1CC[C@H](C(=O)N[C@H]2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)CC2)O1 ZINC001571275834 945715397 /nfs/dbraw/zinc/71/53/97/945715397.db2.gz DDDZSDGTGTZKHZ-PWNZVWSESA-N -1 1 386.460 1.454 20 0 GDADMM CC[C@H]1CC[C@H](C(=O)N[C@H]2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)CC2)O1 ZINC001571275834 945715404 /nfs/dbraw/zinc/71/54/04/945715404.db2.gz DDDZSDGTGTZKHZ-PWNZVWSESA-N -1 1 386.460 1.454 20 0 GDADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC001571275900 945718870 /nfs/dbraw/zinc/71/88/70/945718870.db2.gz FEEUOCNWDKIPPA-OBCWZRDOSA-N -1 1 386.456 1.677 20 0 GDADMM CC1(C(=O)N[C@H]2CCC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CCOCC1 ZINC001571276092 945722948 /nfs/dbraw/zinc/72/29/48/945722948.db2.gz HBWMXXZOMOLFRE-OLZOCXBDSA-N -1 1 386.460 1.313 20 0 GDADMM CC1(C(=O)N[C@H]2CCC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CCOCC1 ZINC001571276092 945722957 /nfs/dbraw/zinc/72/29/57/945722957.db2.gz HBWMXXZOMOLFRE-OLZOCXBDSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)CN1C(=O)CCC1CCOCC1 ZINC001571278427 945753002 /nfs/dbraw/zinc/75/30/02/945753002.db2.gz NCAMVBYWDIPFQL-TZMCWYRMSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)CN1C(=O)CCC1CCOCC1 ZINC001571278427 945753009 /nfs/dbraw/zinc/75/30/09/945753009.db2.gz NCAMVBYWDIPFQL-TZMCWYRMSA-N -1 1 386.460 1.265 20 0 GDADMM Cc1c2c(sc1NC(=O)Cn1cc(-c3nn[n-]n3)c(=O)[nH]c1=O)CCCC2 ZINC001571279148 945770853 /nfs/dbraw/zinc/77/08/53/945770853.db2.gz JZXBWMFMJKTGMV-UHFFFAOYSA-N -1 1 387.425 1.016 20 0 GDADMM Cc1n[nH]cc1C(=O)N1CCC[C@H](N(C)c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571281127 945797288 /nfs/dbraw/zinc/79/72/88/945797288.db2.gz CMCVRYXNEYUDRX-NSHDSACASA-N -1 1 387.473 1.404 20 0 GDADMM COC[C@@H](NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)c1ccco1 ZINC000821682289 945804184 /nfs/dbraw/zinc/80/41/84/945804184.db2.gz ATDDTADVSZIUNC-CYBMUJFWSA-N -1 1 386.412 1.614 20 0 GDADMM CCn1ccc(C(=O)N[C@@]2(C)CCN(c3snc(C)c3-c3nn[n-]n3)C2)n1 ZINC001571281665 945810455 /nfs/dbraw/zinc/81/04/55/945810455.db2.gz LDKLIDYZVAFLJT-INIZCTEOSA-N -1 1 387.473 1.247 20 0 GDADMM Cc1nsc(N2CCC[C@@H](NC(=O)Cc3ccoc3)[C@@H]2C)c1-c1nn[n-]n1 ZINC001571282403 945842880 /nfs/dbraw/zinc/84/28/80/945842880.db2.gz XNOHTHFHULWBER-WCQYABFASA-N -1 1 387.469 1.941 20 0 GDADMM COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2ncc(-c3nnn[n-]3)s2)CC1=O ZINC000821782651 945860651 /nfs/dbraw/zinc/86/06/51/945860651.db2.gz JFIOMCLHUOUQRT-JTQLQIEISA-N -1 1 399.436 1.632 20 0 GDADMM COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2ncc(-c3nn[n-]n3)s2)CC1=O ZINC000821782651 945860660 /nfs/dbraw/zinc/86/06/60/945860660.db2.gz JFIOMCLHUOUQRT-JTQLQIEISA-N -1 1 399.436 1.632 20 0 GDADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCN(C(=O)c2ccc(Cl)[nH]2)C1 ZINC001571283218 945880509 /nfs/dbraw/zinc/88/05/09/945880509.db2.gz BZTOAWLDMWMMBU-JTQLQIEISA-N -1 1 387.835 1.379 20 0 GDADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCN(C(=O)c2ccc(Cl)[nH]2)C1 ZINC001571283218 945880525 /nfs/dbraw/zinc/88/05/25/945880525.db2.gz BZTOAWLDMWMMBU-JTQLQIEISA-N -1 1 387.835 1.379 20 0 GDADMM CN(C[C@H]1CCN(C(=O)c2cc(Cl)c[nH]2)C1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571284086 945894249 /nfs/dbraw/zinc/89/42/49/945894249.db2.gz LMXIXYHKPYSDIL-SNVBAGLBSA-N -1 1 387.835 1.237 20 0 GDADMM CN(C[C@H]1CCN(C(=O)c2cc(Cl)c[nH]2)C1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571284086 945894263 /nfs/dbraw/zinc/89/42/63/945894263.db2.gz LMXIXYHKPYSDIL-SNVBAGLBSA-N -1 1 387.835 1.237 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)NC[C@]2(O)CCSC2)c1-c1nn[n-]n1 ZINC000821989903 945914036 /nfs/dbraw/zinc/91/40/36/945914036.db2.gz NRMRVKMGUIKBPN-MRXNPFEDSA-N -1 1 392.510 1.459 20 0 GDADMM Cc1nsc(N[C@H]2CCN(C(=O)c3cncc(F)c3)[C@@H]2C)c1-c1nn[n-]n1 ZINC001571286994 945966459 /nfs/dbraw/zinc/96/64/59/945966459.db2.gz XPMZJTRNGXZOQF-SKDRFNHKSA-N -1 1 388.432 1.881 20 0 GDADMM O=C(N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1)C1(c2ccccc2)CC1 ZINC001571288668 945990968 /nfs/dbraw/zinc/99/09/68/945990968.db2.gz QXYUHPPQIUCWOF-GJZGRUSLSA-N -1 1 388.435 1.178 20 0 GDADMM O=C(N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1)C1(c2ccccc2)CC1 ZINC001571288668 945990973 /nfs/dbraw/zinc/99/09/73/945990973.db2.gz QXYUHPPQIUCWOF-GJZGRUSLSA-N -1 1 388.435 1.178 20 0 GDADMM O=C(N1CCC[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1)C1(F)CCCC1 ZINC001571289901 946023545 /nfs/dbraw/zinc/02/35/45/946023545.db2.gz PIBGRKLXNCXSKR-CYBMUJFWSA-N -1 1 388.451 1.980 20 0 GDADMM O=C(N1CCC[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1)C1(F)CCCC1 ZINC001571289901 946023554 /nfs/dbraw/zinc/02/35/54/946023554.db2.gz PIBGRKLXNCXSKR-CYBMUJFWSA-N -1 1 388.451 1.980 20 0 GDADMM O=C(N[C@@H]1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)c1ccc(Cl)o1 ZINC001571290590 946049299 /nfs/dbraw/zinc/04/92/99/946049299.db2.gz JNNSUECMSCDRQQ-NXEZZACHSA-N -1 1 388.819 1.914 20 0 GDADMM O=C(N[C@@H]1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)c1ccc(Cl)o1 ZINC001571290590 946049312 /nfs/dbraw/zinc/04/93/12/946049312.db2.gz JNNSUECMSCDRQQ-NXEZZACHSA-N -1 1 388.819 1.914 20 0 GDADMM Cc1nc2ccnn2c(C)c1CCC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822462084 946098225 /nfs/dbraw/zinc/09/82/25/946098225.db2.gz DRFQWWWPOZRPQB-UHFFFAOYSA-N -1 1 378.396 1.597 20 0 GDADMM Cc1nc2ccnn2c(C)c1CCC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822462084 946098236 /nfs/dbraw/zinc/09/82/36/946098236.db2.gz DRFQWWWPOZRPQB-UHFFFAOYSA-N -1 1 378.396 1.597 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC[C@@H](CC(N)=O)C1 ZINC000822535093 946116831 /nfs/dbraw/zinc/11/68/31/946116831.db2.gz GNEMMZZDVJFCBL-LBPRGKRZSA-N -1 1 383.412 1.286 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC[C@@H](CC(N)=O)C1 ZINC000822535093 946116840 /nfs/dbraw/zinc/11/68/40/946116840.db2.gz GNEMMZZDVJFCBL-LBPRGKRZSA-N -1 1 383.412 1.286 20 0 GDADMM O=C([C@H]1CC1(F)F)N1CCC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001571294277 946130359 /nfs/dbraw/zinc/13/03/59/946130359.db2.gz DAMCRRWQYJIVST-BZNIZROVSA-N -1 1 390.398 1.131 20 0 GDADMM O=C([C@H]1CC1(F)F)N1CCC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001571294277 946130360 /nfs/dbraw/zinc/13/03/60/946130360.db2.gz DAMCRRWQYJIVST-BZNIZROVSA-N -1 1 390.398 1.131 20 0 GDADMM CC[C@@H](F)C(=O)N1CCO[C@@H](CNc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571294907 946148511 /nfs/dbraw/zinc/14/85/11/946148511.db2.gz PSVARUWQVXWHHH-JGVFFNPUSA-N -1 1 389.844 1.364 20 0 GDADMM Cc1nsc(NC[C@H]2CC[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)c1-c1nn[n-]n1 ZINC001571295276 946159809 /nfs/dbraw/zinc/15/98/09/946159809.db2.gz RSEZWDBDPMGDHO-SVPLCASGSA-N -1 1 389.485 1.221 20 0 GDADMM Cc1[nH]c(=O)c(Br)cc1C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001571295320 946159998 /nfs/dbraw/zinc/15/99/98/946159998.db2.gz XTSJLQWRDPZABU-UHFFFAOYSA-N -1 1 390.201 1.363 20 0 GDADMM Cc1[nH]c(=O)c(Br)cc1C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001571295320 946160007 /nfs/dbraw/zinc/16/00/07/946160007.db2.gz XTSJLQWRDPZABU-UHFFFAOYSA-N -1 1 390.201 1.363 20 0 GDADMM O=C(N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1Cc2ccccc2C1 ZINC001571297899 946199594 /nfs/dbraw/zinc/19/95/94/946199594.db2.gz CJDWZLJJGBVUAK-INIZCTEOSA-N -1 1 390.451 1.157 20 0 GDADMM O=C(N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1Cc2ccccc2C1 ZINC001571297899 946199600 /nfs/dbraw/zinc/19/96/00/946199600.db2.gz CJDWZLJJGBVUAK-INIZCTEOSA-N -1 1 390.451 1.157 20 0 GDADMM Cc1ncc(C(=O)N[C@]2(C)CCN(c3snc(C)c3-c3nn[n-]n3)C2)s1 ZINC001571298088 946207026 /nfs/dbraw/zinc/20/70/26/946207026.db2.gz JGGTVPDBLCLDMQ-OAHLLOKOSA-N -1 1 390.498 1.795 20 0 GDADMM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)[C@H](c1ccccc1)C1CC1 ZINC001571298242 946211893 /nfs/dbraw/zinc/21/18/93/946211893.db2.gz KZLMIYGEHZGCHF-MAUKXSAKSA-N -1 1 390.451 1.545 20 0 GDADMM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)[C@H](c1ccccc1)C1CC1 ZINC001571298242 946211907 /nfs/dbraw/zinc/21/19/07/946211907.db2.gz KZLMIYGEHZGCHF-MAUKXSAKSA-N -1 1 390.451 1.545 20 0 GDADMM CC(=O)N[C@H](CC(=O)Nc1cccc(-c2nnn[n-]2)n1)c1ccc(F)cc1F ZINC001573486107 946238938 /nfs/dbraw/zinc/23/89/38/946238938.db2.gz CLFXUQGZWGCZRX-CQSZACIVSA-N -1 1 387.350 1.746 20 0 GDADMM CC(=O)N[C@H](CC(=O)Nc1cccc(-c2nn[n-]n2)n1)c1ccc(F)cc1F ZINC001573486107 946238943 /nfs/dbraw/zinc/23/89/43/946238943.db2.gz CLFXUQGZWGCZRX-CQSZACIVSA-N -1 1 387.350 1.746 20 0 GDADMM Cc1nsc(N2CC[C@@H](NC(=O)c3cc(F)c[nH]3)C[C@@H]2C)c1-c1nn[n-]n1 ZINC001571299167 946239563 /nfs/dbraw/zinc/23/95/63/946239563.db2.gz ORGGPOHDIAOHFN-GZMMTYOYSA-N -1 1 390.448 1.886 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nnn[n-]3)cn2)c(C)c1 ZINC001571299124 946239663 /nfs/dbraw/zinc/23/96/63/946239663.db2.gz NZGDXXNWCUHHEJ-KMFMINBZSA-N -1 1 390.451 1.813 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nn[n-]n3)cn2)c(C)c1 ZINC001571299124 946239667 /nfs/dbraw/zinc/23/96/67/946239667.db2.gz NZGDXXNWCUHHEJ-KMFMINBZSA-N -1 1 390.451 1.813 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccc2)n1 ZINC001571299802 946261593 /nfs/dbraw/zinc/26/15/93/946261593.db2.gz VIFRPVNAYVSHQG-GASCZTMLSA-N -1 1 390.451 1.713 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccc2)n1 ZINC001571299802 946261603 /nfs/dbraw/zinc/26/16/03/946261603.db2.gz VIFRPVNAYVSHQG-GASCZTMLSA-N -1 1 390.451 1.713 20 0 GDADMM O=C(N[C@H]1CCCN(c2snc(Cl)c2-c2nnn[n-]2)C1)c1ccccn1 ZINC001571299944 946266195 /nfs/dbraw/zinc/26/61/95/946266195.db2.gz RRCWBWOJFABUQO-VIFPVBQESA-N -1 1 390.860 1.770 20 0 GDADMM O=C(N[C@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)C1)c1ccccn1 ZINC001571299944 946266203 /nfs/dbraw/zinc/26/62/03/946266203.db2.gz RRCWBWOJFABUQO-VIFPVBQESA-N -1 1 390.860 1.770 20 0 GDADMM CC[C@@H](SC)C(=O)N1CCCC[C@H]1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001571299945 946268242 /nfs/dbraw/zinc/26/82/42/946268242.db2.gz RRIBRDYOTXLEKR-GXTWGEPZSA-N -1 1 390.517 1.900 20 0 GDADMM CC[C@@H](SC)C(=O)N1CCCC[C@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001571299945 946268251 /nfs/dbraw/zinc/26/82/51/946268251.db2.gz RRIBRDYOTXLEKR-GXTWGEPZSA-N -1 1 390.517 1.900 20 0 GDADMM C[S@@](=O)Cc1ccc(CNC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)cc1 ZINC001571301850 946284820 /nfs/dbraw/zinc/28/48/20/946284820.db2.gz FUYDWMPCIYEEHD-HHHXNRCGSA-N -1 1 391.403 1.953 20 0 GDADMM C[S@@](=O)Cc1ccc(CNC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)cc1 ZINC001571301850 946284826 /nfs/dbraw/zinc/28/48/26/946284826.db2.gz FUYDWMPCIYEEHD-HHHXNRCGSA-N -1 1 391.403 1.953 20 0 GDADMM C[C@H]1[C@H](CO)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC001571302331 946299957 /nfs/dbraw/zinc/29/99/57/946299957.db2.gz UYESQLJTRLXNAS-IUCAKERBSA-N -1 1 391.375 1.277 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)c(C2CC2)n1 ZINC001571302627 946310765 /nfs/dbraw/zinc/31/07/65/946310765.db2.gz CYRIQCJVFFVOOO-ZDUSSCGKSA-N -1 1 391.439 1.246 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)c(C2CC2)n1 ZINC001571302627 946310773 /nfs/dbraw/zinc/31/07/73/946310773.db2.gz CYRIQCJVFFVOOO-ZDUSSCGKSA-N -1 1 391.439 1.246 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CC23CCN(c2nccnc2-c2nnn[n-]2)CC3)ccn1 ZINC001571302904 946317966 /nfs/dbraw/zinc/31/79/66/946317966.db2.gz ITEHRUKKTAIKAU-AWEZNQCLSA-N -1 1 391.439 1.149 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CC23CCN(c2nccnc2-c2nn[n-]n2)CC3)ccn1 ZINC001571302904 946317980 /nfs/dbraw/zinc/31/79/80/946317980.db2.gz ITEHRUKKTAIKAU-AWEZNQCLSA-N -1 1 391.439 1.149 20 0 GDADMM Cc1cccc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nnn[n-]2)n1 ZINC001571303042 946323072 /nfs/dbraw/zinc/32/30/72/946323072.db2.gz JWFHDHHGKUQUOM-AGUYFDCRSA-N -1 1 391.439 1.290 20 0 GDADMM Cc1cccc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nn[n-]n2)n1 ZINC001571303042 946323085 /nfs/dbraw/zinc/32/30/85/946323085.db2.gz JWFHDHHGKUQUOM-AGUYFDCRSA-N -1 1 391.439 1.290 20 0 GDADMM Cc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nc(C)cc(-c3nnn[n-]3)n2)cc(C)n1 ZINC001571303337 946330776 /nfs/dbraw/zinc/33/07/76/946330776.db2.gz OSHIULZDSVDIAD-GJZGRUSLSA-N -1 1 391.439 1.080 20 0 GDADMM Cc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nc(C)cc(-c3nn[n-]n3)n2)cc(C)n1 ZINC001571303337 946330788 /nfs/dbraw/zinc/33/07/88/946330788.db2.gz OSHIULZDSVDIAD-GJZGRUSLSA-N -1 1 391.439 1.080 20 0 GDADMM Cc1cccnc1C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001571303339 946335055 /nfs/dbraw/zinc/33/50/55/946335055.db2.gz OTYKRQSMZAEIRI-AGUYFDCRSA-N -1 1 391.439 1.290 20 0 GDADMM Cc1cccnc1C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001571303339 946335065 /nfs/dbraw/zinc/33/50/65/946335065.db2.gz OTYKRQSMZAEIRI-AGUYFDCRSA-N -1 1 391.439 1.290 20 0 GDADMM O=C(c1cccnc1C1CC1)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571303607 946343334 /nfs/dbraw/zinc/34/33/34/946343334.db2.gz UIMRLVYBINBJCE-CYBMUJFWSA-N -1 1 391.439 1.646 20 0 GDADMM O=C(c1cccnc1C1CC1)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571303607 946343344 /nfs/dbraw/zinc/34/33/44/946343344.db2.gz UIMRLVYBINBJCE-CYBMUJFWSA-N -1 1 391.439 1.646 20 0 GDADMM Cc1nccc(C(=O)N[C@H]2CCN(c3snc(Cl)c3-c3nnn[n-]3)C2)n1 ZINC001571305430 946359533 /nfs/dbraw/zinc/35/95/33/946359533.db2.gz BACZZCKMSHEAFS-QMMMGPOBSA-N -1 1 391.848 1.084 20 0 GDADMM Cc1nccc(C(=O)N[C@H]2CCN(c3snc(Cl)c3-c3nn[n-]n3)C2)n1 ZINC001571305430 946359544 /nfs/dbraw/zinc/35/95/44/946359544.db2.gz BACZZCKMSHEAFS-QMMMGPOBSA-N -1 1 391.848 1.084 20 0 GDADMM CO[C@@H]1CN(c2snc(C)c2-c2nn[n-]n2)C[C@H]1NC(=O)c1ccsc1 ZINC001571305454 946364912 /nfs/dbraw/zinc/36/49/12/946364912.db2.gz BNNJZCLAJZIGNO-GHMZBOCLSA-N -1 1 391.482 1.327 20 0 GDADMM Cc1nsc(NC2CCN(C(=O)[C@@H](C)[C@@H]3CCCO3)CC2)c1-c1nn[n-]n1 ZINC001571305893 946377723 /nfs/dbraw/zinc/37/77/23/946377723.db2.gz NFGWFGUQQRSHJH-GWCFXTLKSA-N -1 1 391.501 1.850 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H](Nc3nc(Cl)c(-c4nnn[n-]4)s3)C2)cnn1 ZINC001571305987 946381817 /nfs/dbraw/zinc/38/18/17/946381817.db2.gz NLKABHIHHMHHPD-SECBINFHSA-N -1 1 391.848 1.402 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H](Nc3nc(Cl)c(-c4nn[n-]n4)s3)C2)cnn1 ZINC001571305987 946381830 /nfs/dbraw/zinc/38/18/30/946381830.db2.gz NLKABHIHHMHHPD-SECBINFHSA-N -1 1 391.848 1.402 20 0 GDADMM Cc1nsc(N(C)C[C@@H]2CCN(C(=O)[C@@]3(C)CCOC3)C2)c1-c1nn[n-]n1 ZINC001571306087 946389195 /nfs/dbraw/zinc/38/91/95/946389195.db2.gz PGBQNDJHTVSYCE-SJCJKPOMSA-N -1 1 391.501 1.343 20 0 GDADMM Cc1nc(Cl)sc1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571306241 946395416 /nfs/dbraw/zinc/39/54/16/946395416.db2.gz RAJDPCZLXAEXGG-QMMMGPOBSA-N -1 1 391.848 1.084 20 0 GDADMM Cc1nc(Cl)sc1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571306241 946395426 /nfs/dbraw/zinc/39/54/26/946395426.db2.gz RAJDPCZLXAEXGG-QMMMGPOBSA-N -1 1 391.848 1.084 20 0 GDADMM O=C(NC[C@H]1CCCN1c1nc(-c2nn[n-]n2)c(Cl)s1)c1ccnnc1 ZINC001571306552 946404616 /nfs/dbraw/zinc/40/46/16/946404616.db2.gz XFMBGIZHHNFHHX-SECBINFHSA-N -1 1 391.848 1.165 20 0 GDADMM O=C(c1csc(Cl)n1)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001571306711 946406708 /nfs/dbraw/zinc/40/67/08/946406708.db2.gz ZXUVXKOQOGWPBU-UHFFFAOYSA-N -1 1 391.848 1.483 20 0 GDADMM O=C(c1csc(Cl)n1)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001571306711 946406714 /nfs/dbraw/zinc/40/67/14/946406714.db2.gz ZXUVXKOQOGWPBU-UHFFFAOYSA-N -1 1 391.848 1.483 20 0 GDADMM O=C([C@H]1CCCCC1(F)F)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571308027 946428613 /nfs/dbraw/zinc/42/86/13/946428613.db2.gz KBJADSXCOBDVPN-VXGBXAGGSA-N -1 1 392.414 1.885 20 0 GDADMM O=C([C@H]1CCCCC1(F)F)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571308027 946428616 /nfs/dbraw/zinc/42/86/16/946428616.db2.gz KBJADSXCOBDVPN-VXGBXAGGSA-N -1 1 392.414 1.885 20 0 GDADMM CCS(=O)(=O)C1(CNC(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)CC1 ZINC001571308304 946431489 /nfs/dbraw/zinc/43/14/89/946431489.db2.gz NXSZNFCOULNCPP-UHFFFAOYSA-N -1 1 391.866 1.065 20 0 GDADMM O=C(C[C@H]1CCC(F)(F)C1)NC1CC(CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571309449 946445195 /nfs/dbraw/zinc/44/51/95/946445195.db2.gz ADSHHNNMXSCELZ-VOMCLLRMSA-N -1 1 392.414 1.789 20 0 GDADMM O=C(C[C@H]1CCC(F)(F)C1)NC1CC(CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571309449 946445199 /nfs/dbraw/zinc/44/51/99/946445199.db2.gz ADSHHNNMXSCELZ-VOMCLLRMSA-N -1 1 392.414 1.789 20 0 GDADMM O=C(N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)[C@H]1CCCC(F)(F)C1 ZINC001571309648 946451112 /nfs/dbraw/zinc/45/11/12/946451112.db2.gz GQLBQVYSBVMQGP-RYUDHWBXSA-N -1 1 392.414 1.567 20 0 GDADMM O=C(N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)[C@H]1CCCC(F)(F)C1 ZINC001571309648 946451122 /nfs/dbraw/zinc/45/11/22/946451122.db2.gz GQLBQVYSBVMQGP-RYUDHWBXSA-N -1 1 392.414 1.567 20 0 GDADMM Cc1nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ncccc2[O-])C3)ccc1-c1nn[nH]n1 ZINC001571309741 946453693 /nfs/dbraw/zinc/45/36/93/946453693.db2.gz JEBHAPJACAAYBQ-XBFCOCLRSA-N -1 1 392.423 1.210 20 0 GDADMM O=C(C[C@H]1CCC(F)(F)C1)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571310095 946461124 /nfs/dbraw/zinc/46/11/24/946461124.db2.gz UZNIAZBXNXFQOS-NEPJUHHUSA-N -1 1 392.414 1.885 20 0 GDADMM O=C(C[C@H]1CCC(F)(F)C1)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571310095 946461132 /nfs/dbraw/zinc/46/11/32/946461132.db2.gz UZNIAZBXNXFQOS-NEPJUHHUSA-N -1 1 392.414 1.885 20 0 GDADMM CC(C)N(Cc1ccccc1)C(=O)Cn1c2c(cc(-c3nn[n-]n3)c1=O)CCC2 ZINC001571311030 946481429 /nfs/dbraw/zinc/48/14/29/946481429.db2.gz QEJLFCSLCQUVSH-UHFFFAOYSA-N -1 1 392.463 1.954 20 0 GDADMM CCc1ccc([C@H](C)C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001571313198 946514817 /nfs/dbraw/zinc/51/48/17/946514817.db2.gz JRORAIQWOJPKJU-XJKSGUPXSA-N -1 1 392.467 1.718 20 0 GDADMM CCc1ccc([C@H](C)C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571313198 946514827 /nfs/dbraw/zinc/51/48/27/946514827.db2.gz JRORAIQWOJPKJU-XJKSGUPXSA-N -1 1 392.467 1.718 20 0 GDADMM C[C@@H]1CCN(C(=O)C2C=CC=CC=C2)[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571313428 946523759 /nfs/dbraw/zinc/52/37/59/946523759.db2.gz OLRKFKSCFSBESW-ZBFHGGJFSA-N -1 1 392.467 1.994 20 0 GDADMM C[C@@H]1CCN(C(=O)C2C=CC=CC=C2)[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571313428 946523774 /nfs/dbraw/zinc/52/37/74/946523774.db2.gz OLRKFKSCFSBESW-ZBFHGGJFSA-N -1 1 392.467 1.994 20 0 GDADMM CCc1ccc(C(=O)N[C@H]2CCCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)cc1 ZINC001571313981 946537278 /nfs/dbraw/zinc/53/72/78/946537278.db2.gz YLHROIAAYNVWJJ-INIZCTEOSA-N -1 1 392.467 1.926 20 0 GDADMM CCc1ccc(C(=O)N[C@H]2CCCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571313981 946537287 /nfs/dbraw/zinc/53/72/87/946537287.db2.gz YLHROIAAYNVWJJ-INIZCTEOSA-N -1 1 392.467 1.926 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](N(C)C(=O)[C@H](C)c3ccccc3)C2)n1 ZINC001571314693 946543157 /nfs/dbraw/zinc/54/31/57/946543157.db2.gz AEGDCORACIVPIZ-ZBFHGGJFSA-N -1 1 392.467 1.806 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](N(C)C(=O)[C@H](C)c3ccccc3)C2)n1 ZINC001571314693 946543164 /nfs/dbraw/zinc/54/31/64/946543164.db2.gz AEGDCORACIVPIZ-ZBFHGGJFSA-N -1 1 392.467 1.806 20 0 GDADMM Cc1ccc(C)c(C(=O)N[C@H]2CC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571314903 946545100 /nfs/dbraw/zinc/54/51/00/946545100.db2.gz DDAXUVPWVMEFDP-GJZGRUSLSA-N -1 1 392.467 1.706 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@@H](N(C)c3nc(C)cc(-c4nnn[n-]4)n3)C2)cc1 ZINC001571315404 946552214 /nfs/dbraw/zinc/55/22/14/946552214.db2.gz JNQWMPSJVNWZRQ-MRXNPFEDSA-N -1 1 392.467 1.553 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@@H](N(C)c3nc(C)cc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571315404 946552231 /nfs/dbraw/zinc/55/22/31/946552231.db2.gz JNQWMPSJVNWZRQ-MRXNPFEDSA-N -1 1 392.467 1.553 20 0 GDADMM Cc1cccc(C(=O)N[C@H]2CC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)c1C ZINC001571315627 946554812 /nfs/dbraw/zinc/55/48/12/946554812.db2.gz MMYUQEYFXYXDFK-CABCVRRESA-N -1 1 392.467 1.706 20 0 GDADMM Cc1cc(C)c(CC(=O)N[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c(C)c1 ZINC001571316170 946568287 /nfs/dbraw/zinc/56/82/87/946568287.db2.gz VJVVRXJMVXYLNU-SHTZXODSSA-N -1 1 392.467 1.884 20 0 GDADMM Cc1cc(C)c(CC(=O)N[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c(C)c1 ZINC001571316170 946568295 /nfs/dbraw/zinc/56/82/95/946568295.db2.gz VJVVRXJMVXYLNU-SHTZXODSSA-N -1 1 392.467 1.884 20 0 GDADMM Cc1cccc(CC(=O)N[C@H]2CC[C@H](C)N(c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571316926 946593085 /nfs/dbraw/zinc/59/30/85/946593085.db2.gz QBZGSYXGQQTIGM-HOCLYGCPSA-N -1 1 392.467 1.681 20 0 GDADMM Cc1cccc(CC(=O)N[C@H]2CC[C@H](C)N(c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571316926 946593093 /nfs/dbraw/zinc/59/30/93/946593093.db2.gz QBZGSYXGQQTIGM-HOCLYGCPSA-N -1 1 392.467 1.681 20 0 GDADMM Cc1cccc(CCC(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@H]2C)c1 ZINC001571316889 946593522 /nfs/dbraw/zinc/59/35/22/946593522.db2.gz PCZIYXGBZXVQOE-GDBMZVCRSA-N -1 1 392.467 1.999 20 0 GDADMM Cc1cccc(CCC(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@H]2C)c1 ZINC001571316889 946593530 /nfs/dbraw/zinc/59/35/30/946593530.db2.gz PCZIYXGBZXVQOE-GDBMZVCRSA-N -1 1 392.467 1.999 20 0 GDADMM CCc1[nH]ccc1C(=O)N[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571317314 946607388 /nfs/dbraw/zinc/60/73/88/946607388.db2.gz CDEQQFODDXZBMN-MRVPVSSYSA-N -1 1 392.876 1.876 20 0 GDADMM CN(c1nc(-c2nn[n-]n2)c(Cl)s1)[C@H]1CCN(C(=O)c2ccn(C)c2)C1 ZINC001571317833 946620775 /nfs/dbraw/zinc/62/07/75/946620775.db2.gz WTKCUVHINAPMOH-JTQLQIEISA-N -1 1 392.876 1.666 20 0 GDADMM Cc1c(C(=O)N[C@@H]2CCN(c3nc(-c4nn[n-]n4)c(Cl)s3)C2)ccn1C ZINC001571317941 946624095 /nfs/dbraw/zinc/62/40/95/946624095.db2.gz ZNIJJSLNBJYJLZ-SECBINFHSA-N -1 1 392.876 1.632 20 0 GDADMM Brc1nn(Cc2nc(-c3nnn[n-]3)cs2)nc1Br ZINC001573279465 946641862 /nfs/dbraw/zinc/64/18/62/946641862.db2.gz HLYZXFDOSBTNEE-UHFFFAOYSA-N -1 1 392.040 1.488 20 0 GDADMM Brc1nn(Cc2nc(-c3nn[n-]n3)cs2)nc1Br ZINC001573279465 946641870 /nfs/dbraw/zinc/64/18/70/946641870.db2.gz HLYZXFDOSBTNEE-UHFFFAOYSA-N -1 1 392.040 1.488 20 0 GDADMM Brc1cnc([C@@H]2CCCN(c3ncncc3-c3nn[n-]n3)C2)nc1 ZINC001573280111 946655532 /nfs/dbraw/zinc/65/55/32/946655532.db2.gz RBQZEPPSULADTK-SECBINFHSA-N -1 1 388.233 1.593 20 0 GDADMM CC[C@@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)c1nnc2n1CCCCC2 ZINC000825133163 947091780 /nfs/dbraw/zinc/09/17/80/947091780.db2.gz KMOYRKRTMHITOZ-LLVKDONJSA-N -1 1 385.432 1.291 20 0 GDADMM CC[C@@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)c1nnc2n1CCCCC2 ZINC000825133163 947091791 /nfs/dbraw/zinc/09/17/91/947091791.db2.gz KMOYRKRTMHITOZ-LLVKDONJSA-N -1 1 385.432 1.291 20 0 GDADMM CCC[C@H](NC(=O)c1cc(C)n(-c2cccc(-c3nn[nH]n3)c2)n1)c1nn[n-]n1 ZINC000825242050 947130943 /nfs/dbraw/zinc/13/09/43/947130943.db2.gz GXIBNDLHSZKXOV-ZDUSSCGKSA-N -1 1 393.415 1.145 20 0 GDADMM CCN(CC)C(=O)CCC1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000825399340 947174078 /nfs/dbraw/zinc/17/40/78/947174078.db2.gz QGUAEYLRYOFUCB-UHFFFAOYSA-N -1 1 385.472 1.763 20 0 GDADMM CCN(CC)C(=O)CCC1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000825399340 947174082 /nfs/dbraw/zinc/17/40/82/947174082.db2.gz QGUAEYLRYOFUCB-UHFFFAOYSA-N -1 1 385.472 1.763 20 0 GDADMM CCOC(=O)CN(CCc1ccccc1)C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825512207 947211260 /nfs/dbraw/zinc/21/12/60/947211260.db2.gz YHRGGVXQWRRZIC-UHFFFAOYSA-N -1 1 398.423 1.340 20 0 GDADMM CCOC(=O)CN(CCc1ccccc1)C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825512207 947211271 /nfs/dbraw/zinc/21/12/71/947211271.db2.gz YHRGGVXQWRRZIC-UHFFFAOYSA-N -1 1 398.423 1.340 20 0 GDADMM CCOC(=O)c1cnn(Cc2nc3cc(Cl)ccc3n2C)c1-c1nn[n-]n1 ZINC000825569996 947226944 /nfs/dbraw/zinc/22/69/44/947226944.db2.gz DJZHXDBSLPGDNH-UHFFFAOYSA-N -1 1 386.803 1.828 20 0 GDADMM C=C/C(C)=C\CC(=O)N[C@H](C)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573315263 947249998 /nfs/dbraw/zinc/24/99/98/947249998.db2.gz BYCREBZBOKUVBW-KWLXYHDNSA-N -1 1 382.472 1.900 20 0 GDADMM C=C/C(C)=C\CC(=O)N[C@H](C)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573315263 947250011 /nfs/dbraw/zinc/25/00/11/947250011.db2.gz BYCREBZBOKUVBW-KWLXYHDNSA-N -1 1 382.472 1.900 20 0 GDADMM CCc1ccc2c(c1)[C@@H](CCNC(=O)Cc1noc(C)c1-c1nnn[n-]1)C(=O)N2 ZINC000825716889 947298409 /nfs/dbraw/zinc/29/84/09/947298409.db2.gz CJPJBWQIHMNWCC-GFCCVEGCSA-N -1 1 395.423 1.510 20 0 GDADMM CCc1ccc2c(c1)[C@@H](CCNC(=O)Cc1noc(C)c1-c1nn[n-]n1)C(=O)N2 ZINC000825716889 947298421 /nfs/dbraw/zinc/29/84/21/947298421.db2.gz CJPJBWQIHMNWCC-GFCCVEGCSA-N -1 1 395.423 1.510 20 0 GDADMM C=C/C(C)=C\CC(=O)N[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C[C@@H]1O ZINC001573317741 947299076 /nfs/dbraw/zinc/29/90/76/947299076.db2.gz PDIAHZOMKSTMHC-DSQVMXRESA-N -1 1 389.485 1.210 20 0 GDADMM C[C@H](C(=O)N(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)C(C)(F)F ZINC001573593077 947360879 /nfs/dbraw/zinc/36/08/79/947360879.db2.gz IHCQMHVWKIHKRR-MWLCHTKSSA-N -1 1 380.403 1.019 20 0 GDADMM CN1CCN(CCNS(=O)(=O)c2c3ccccc3sc2C(=O)[O-])CC1 ZINC000327138521 971370769 /nfs/dbraw/zinc/37/07/69/971370769.db2.gz UNIKOFPRMWFODC-UHFFFAOYSA-N -1 1 383.495 1.125 20 0 GDADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1nccnc1-c1nnn[n-]1)[C@@H]1CCCO1 ZINC001573594428 947394938 /nfs/dbraw/zinc/39/49/38/947394938.db2.gz YUYMRPPVDLUEHY-STQMWFEESA-N -1 1 388.476 1.368 20 0 GDADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1nccnc1-c1nn[n-]n1)[C@@H]1CCCO1 ZINC001573594428 947394949 /nfs/dbraw/zinc/39/49/49/947394949.db2.gz YUYMRPPVDLUEHY-STQMWFEESA-N -1 1 388.476 1.368 20 0 GDADMM C[C@H](C(=O)N(C)CCCN(C)c1cnc(-c2nnn[n-]2)cn1)c1cccnc1 ZINC001573596928 947434157 /nfs/dbraw/zinc/43/41/57/947434157.db2.gz MAILVAJQIKOARJ-ZDUSSCGKSA-N -1 1 381.444 1.140 20 0 GDADMM C[C@H](C(=O)N(C)CCCN(C)c1cnc(-c2nn[n-]n2)cn1)c1cccnc1 ZINC001573596928 947434165 /nfs/dbraw/zinc/43/41/65/947434165.db2.gz MAILVAJQIKOARJ-ZDUSSCGKSA-N -1 1 381.444 1.140 20 0 GDADMM COC(=O)[C@H]1CCCCCC[C@@H]1NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000826133105 947446733 /nfs/dbraw/zinc/44/67/33/947446733.db2.gz JWHZHQKCDDWMHX-RYUDHWBXSA-N -1 1 376.417 1.334 20 0 GDADMM COC(=O)[C@H]1CCCCCC[C@@H]1NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000826133105 947446740 /nfs/dbraw/zinc/44/67/40/947446740.db2.gz JWHZHQKCDDWMHX-RYUDHWBXSA-N -1 1 376.417 1.334 20 0 GDADMM C[C@H](C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1)S(=O)(=O)c1ccc(F)cc1 ZINC001573605334 947529967 /nfs/dbraw/zinc/52/99/67/947529967.db2.gz WCCBMAHSSURYOV-SNVBAGLBSA-N -1 1 390.400 1.226 20 0 GDADMM C[C@H](C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1)S(=O)(=O)c1ccc(F)cc1 ZINC001573605334 947529975 /nfs/dbraw/zinc/52/99/75/947529975.db2.gz WCCBMAHSSURYOV-SNVBAGLBSA-N -1 1 390.400 1.226 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1)C(C)(F)F ZINC001573615198 947602592 /nfs/dbraw/zinc/60/25/92/947602592.db2.gz IYSPHXJRTLOYPZ-MNOVXSKESA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573615198 947602597 /nfs/dbraw/zinc/60/25/97/947602597.db2.gz IYSPHXJRTLOYPZ-MNOVXSKESA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1)C(C)(F)F ZINC001573615583 947606736 /nfs/dbraw/zinc/60/67/36/947606736.db2.gz STPNADRVZGZKSS-MXWKQRLJSA-N -1 1 378.387 1.128 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001573615583 947606742 /nfs/dbraw/zinc/60/67/42/947606742.db2.gz STPNADRVZGZKSS-MXWKQRLJSA-N -1 1 378.387 1.128 20 0 GDADMM C[C@@H](C(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C(C)(C)C1)c1ccco1 ZINC001573615877 947612730 /nfs/dbraw/zinc/61/27/30/947612730.db2.gz UCEAINMDLYVNKL-RISCZKNCSA-N -1 1 382.428 1.702 20 0 GDADMM C[C@@H](C(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C(C)(C)C1)c1ccco1 ZINC001573615877 947612737 /nfs/dbraw/zinc/61/27/37/947612737.db2.gz UCEAINMDLYVNKL-RISCZKNCSA-N -1 1 382.428 1.702 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)c1ccsc1 ZINC001573616769 947626995 /nfs/dbraw/zinc/62/69/95/947626995.db2.gz NMEOVHPGSDHRNX-NWDGAFQWSA-N -1 1 384.469 1.782 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)c1ccsc1 ZINC001573616769 947627002 /nfs/dbraw/zinc/62/70/02/947627002.db2.gz NMEOVHPGSDHRNX-NWDGAFQWSA-N -1 1 384.469 1.782 20 0 GDADMM C[C@@H](C(=O)N1CCC(C)(Nc2nccnc2-c2nnn[n-]2)CC1)[C@H]1CCCO1 ZINC001573616704 947627888 /nfs/dbraw/zinc/62/78/88/947627888.db2.gz NAXYDUUMBPPAKQ-CHWSQXEVSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H](C(=O)N1CCC(C)(Nc2nccnc2-c2nn[n-]n2)CC1)[C@H]1CCCO1 ZINC001573616704 947627893 /nfs/dbraw/zinc/62/78/93/947627893.db2.gz NAXYDUUMBPPAKQ-CHWSQXEVSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H](C(=O)N1CC[C@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573616918 947629344 /nfs/dbraw/zinc/62/93/44/947629344.db2.gz ZGJTZLYRWXXHHH-BFUOFWGJSA-N -1 1 384.488 1.555 20 0 GDADMM C=Cc1ccc(C(=O)N2C[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)[C@H](C)C2)cc1 ZINC001573354594 947633409 /nfs/dbraw/zinc/63/34/09/947633409.db2.gz FCKWSQMEAJOYPP-CZUORRHYSA-N -1 1 390.451 1.542 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CN(C)c2cncc(-c3nnn[n-]3)n2)C1)C1CCCC1 ZINC001573617283 947634662 /nfs/dbraw/zinc/63/46/62/947634662.db2.gz OOPQFFDUBGMJLD-KBPBESRZSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CN(C)c2cncc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573617283 947634666 /nfs/dbraw/zinc/63/46/66/947634666.db2.gz OOPQFFDUBGMJLD-KBPBESRZSA-N -1 1 384.488 1.768 20 0 GDADMM COc1cccc2c1CCN(C(=O)c1cc(-c3nn[n-]n3)c(SC)[nH]c1=O)C2 ZINC000826217866 947642015 /nfs/dbraw/zinc/64/20/15/947642015.db2.gz GBRYXMFIIOAJRT-UHFFFAOYSA-N -1 1 398.448 1.896 20 0 GDADMM C=Cc1ccc(C(=O)N[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C2CC2)cc1 ZINC001573355385 947642932 /nfs/dbraw/zinc/64/29/32/947642932.db2.gz OSZYWZMNICBDKJ-MRXNPFEDSA-N -1 1 376.424 1.920 20 0 GDADMM C=Cc1ccc(C(=O)N[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C2CC2)cc1 ZINC001573355385 947642940 /nfs/dbraw/zinc/64/29/40/947642940.db2.gz OSZYWZMNICBDKJ-MRXNPFEDSA-N -1 1 376.424 1.920 20 0 GDADMM C[C@H](C(=O)N1CCC(C)(Nc2ccc(-c3nnn[n-]3)nn2)CC1)c1ccco1 ZINC001573618948 947657137 /nfs/dbraw/zinc/65/71/37/947657137.db2.gz UEFONSKXIGALKR-LBPRGKRZSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@H](C(=O)N1CCC(C)(Nc2ccc(-c3nn[n-]n3)nn2)CC1)c1ccco1 ZINC001573618948 947657142 /nfs/dbraw/zinc/65/71/42/947657142.db2.gz UEFONSKXIGALKR-LBPRGKRZSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)c1cccs1 ZINC001573618970 947658228 /nfs/dbraw/zinc/65/82/28/947658228.db2.gz ULZZYLCQOQKIIE-NEPJUHHUSA-N -1 1 384.469 1.782 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)c1cccs1 ZINC001573618970 947658233 /nfs/dbraw/zinc/65/82/33/947658233.db2.gz ULZZYLCQOQKIIE-NEPJUHHUSA-N -1 1 384.469 1.782 20 0 GDADMM C[C@H](C(=O)N1CCC(N(C)c2nccnc2-c2nnn[n-]2)CC1)c1ccco1 ZINC001573619786 947671545 /nfs/dbraw/zinc/67/15/45/947671545.db2.gz XWZYHTSQBNMCAE-LBPRGKRZSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@H](C(=O)N1CCC(N(C)c2nccnc2-c2nn[n-]n2)CC1)c1ccco1 ZINC001573619786 947671551 /nfs/dbraw/zinc/67/15/51/947671551.db2.gz XWZYHTSQBNMCAE-LBPRGKRZSA-N -1 1 382.428 1.481 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)Nc2nncn2-c2ccccc2)cc1-c1nn[n-]n1 ZINC000826230000 947672258 /nfs/dbraw/zinc/67/22/58/947672258.db2.gz ZMBQKGYVCZZUEZ-UHFFFAOYSA-N -1 1 395.408 1.522 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cccc(F)c1 ZINC001573626555 947712233 /nfs/dbraw/zinc/71/22/33/947712233.db2.gz VHCMLDPOJPTBLZ-RISCZKNCSA-N -1 1 382.403 1.034 20 0 GDADMM C[C@H](C(=O)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1)c1cccnc1 ZINC001573627111 947716654 /nfs/dbraw/zinc/71/66/54/947716654.db2.gz YTZZPHBMHFIYNL-LBPRGKRZSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@H](C(=O)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1)c1cccnc1 ZINC001573627111 947716660 /nfs/dbraw/zinc/71/66/60/947716660.db2.gz YTZZPHBMHFIYNL-LBPRGKRZSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cccnc1 ZINC001573627733 947732224 /nfs/dbraw/zinc/73/22/24/947732224.db2.gz BHPPJBADVQZEKI-JSGCOSHPSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cccnc1 ZINC001573627733 947732233 /nfs/dbraw/zinc/73/22/33/947732233.db2.gz BHPPJBADVQZEKI-JSGCOSHPSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)C1CCCC1 ZINC001573627757 947734142 /nfs/dbraw/zinc/73/41/42/947734142.db2.gz BMXRZGCPJVUQEF-HIFRSBDPSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)C1CCCC1 ZINC001573627757 947734154 /nfs/dbraw/zinc/73/41/54/947734154.db2.gz BMXRZGCPJVUQEF-HIFRSBDPSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](CN(C)c2cnc(-c3nnn[n-]3)cn2)C1)C1CCC1 ZINC001573628222 947747846 /nfs/dbraw/zinc/74/78/46/947747846.db2.gz GRDWEZMKDWZNLG-UONOGXRCSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](CN(C)c2cnc(-c3nn[n-]n3)cn2)C1)C1CCC1 ZINC001573628222 947747853 /nfs/dbraw/zinc/74/78/53/947747853.db2.gz GRDWEZMKDWZNLG-UONOGXRCSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1)c1cccs1 ZINC001573628314 947753526 /nfs/dbraw/zinc/75/35/26/947753526.db2.gz KOGXTBOWEZYUSM-VXGBXAGGSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1)c1cccs1 ZINC001573628314 947753538 /nfs/dbraw/zinc/75/35/38/947753538.db2.gz KOGXTBOWEZYUSM-VXGBXAGGSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1)c1ccsc1 ZINC001573628504 947757059 /nfs/dbraw/zinc/75/70/59/947757059.db2.gz MLINDNFFHKBLAL-WCQYABFASA-N -1 1 384.469 1.925 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1)c1ccsc1 ZINC001573628504 947757066 /nfs/dbraw/zinc/75/70/66/947757066.db2.gz MLINDNFFHKBLAL-WCQYABFASA-N -1 1 384.469 1.925 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cnc(-c2nnn[n-]2)cn1)C(C)(F)F ZINC001573628663 947762054 /nfs/dbraw/zinc/76/20/54/947762054.db2.gz NECONYRIEUPCEM-RTXFEEFZSA-N -1 1 392.414 1.518 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cnc(-c2nn[n-]n2)cn1)C(C)(F)F ZINC001573628663 947762056 /nfs/dbraw/zinc/76/20/56/947762056.db2.gz NECONYRIEUPCEM-RTXFEEFZSA-N -1 1 392.414 1.518 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)C1CCCC1 ZINC001573628862 947765314 /nfs/dbraw/zinc/76/53/14/947765314.db2.gz KTFDEAMABTYMQH-DZGCQCFKSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573628862 947765318 /nfs/dbraw/zinc/76/53/18/947765318.db2.gz KTFDEAMABTYMQH-DZGCQCFKSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)C1CCCC1 ZINC001573628869 947765737 /nfs/dbraw/zinc/76/57/37/947765737.db2.gz KTFDEAMABTYMQH-ZFWWWQNUSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573628869 947765744 /nfs/dbraw/zinc/76/57/44/947765744.db2.gz KTFDEAMABTYMQH-ZFWWWQNUSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1)c1ccco1 ZINC001573629043 947772087 /nfs/dbraw/zinc/77/20/87/947772087.db2.gz QGALOUKOMXOBPS-STQMWFEESA-N -1 1 382.428 1.846 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1)c1ccco1 ZINC001573629043 947772090 /nfs/dbraw/zinc/77/20/90/947772090.db2.gz QGALOUKOMXOBPS-STQMWFEESA-N -1 1 382.428 1.846 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1)c1ccsc1 ZINC001573630553 947792682 /nfs/dbraw/zinc/79/26/82/947792682.db2.gz YOIVMBYLMLOCAU-YPMHNXCESA-N -1 1 384.469 1.925 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1)c1ccsc1 ZINC001573630553 947792690 /nfs/dbraw/zinc/79/26/90/947792690.db2.gz YOIVMBYLMLOCAU-YPMHNXCESA-N -1 1 384.469 1.925 20 0 GDADMM C[C@H](C(=O)N1CC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1)C(C)(C)C ZINC001573632101 947810326 /nfs/dbraw/zinc/81/03/26/947810326.db2.gz YZEMQJHUHAVYQQ-BFUOFWGJSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](C(=O)N1CC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1)C(C)(C)C ZINC001573632101 947810338 /nfs/dbraw/zinc/81/03/38/947810338.db2.gz YZEMQJHUHAVYQQ-BFUOFWGJSA-N -1 1 384.488 1.768 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C12CCC2 ZINC001573375000 947813705 /nfs/dbraw/zinc/81/37/05/947813705.db2.gz LPJIYIRTLHULTA-CHWSQXEVSA-N -1 1 384.444 1.255 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C12CCC2 ZINC001573375000 947813709 /nfs/dbraw/zinc/81/37/09/947813709.db2.gz LPJIYIRTLHULTA-CHWSQXEVSA-N -1 1 384.444 1.255 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)[C@H](C)C1 ZINC001573375554 947821732 /nfs/dbraw/zinc/82/17/32/947821732.db2.gz RVJVKGCWCHCVQD-OCCSQVGLSA-N -1 1 386.460 1.313 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)[C@H](C)C1 ZINC001573375554 947821740 /nfs/dbraw/zinc/82/17/40/947821740.db2.gz RVJVKGCWCHCVQD-OCCSQVGLSA-N -1 1 386.460 1.313 20 0 GDADMM CC(C(=O)N1CCCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)=C1CCC1 ZINC001573638007 947832118 /nfs/dbraw/zinc/83/21/18/947832118.db2.gz YJSUGPYWRCRHBN-CQSZACIVSA-N -1 1 384.444 1.187 20 0 GDADMM CC(C(=O)N1CCCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)=C1CCC1 ZINC001573638007 947832131 /nfs/dbraw/zinc/83/21/31/947832131.db2.gz YJSUGPYWRCRHBN-CQSZACIVSA-N -1 1 384.444 1.187 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H](C)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573377149 947847884 /nfs/dbraw/zinc/84/78/84/947847884.db2.gz JLVDOKUEYPWCMV-KBPBESRZSA-N -1 1 386.460 1.137 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H](C)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573377149 947847890 /nfs/dbraw/zinc/84/78/90/947847890.db2.gz JLVDOKUEYPWCMV-KBPBESRZSA-N -1 1 386.460 1.137 20 0 GDADMM CC(=O)CCCC(=O)NC[C@H]1CC[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573382454 947884488 /nfs/dbraw/zinc/88/44/88/947884488.db2.gz GYVNAHWSKMNVOW-UONOGXRCSA-N -1 1 386.460 1.421 20 0 GDADMM CC(=O)CCCC(=O)NC[C@H]1CC[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573382454 947884500 /nfs/dbraw/zinc/88/45/00/947884500.db2.gz GYVNAHWSKMNVOW-UONOGXRCSA-N -1 1 386.460 1.421 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](C)[C@H](CCNc2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001573647279 947889046 /nfs/dbraw/zinc/88/90/46/947889046.db2.gz GVZCKRLOOQEDMD-RBSFLKMASA-N -1 1 395.471 1.616 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](C)[C@H](CCNc2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001573647279 947889056 /nfs/dbraw/zinc/88/90/56/947889056.db2.gz GVZCKRLOOQEDMD-RBSFLKMASA-N -1 1 395.471 1.616 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H](C)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573383511 947891932 /nfs/dbraw/zinc/89/19/32/947891932.db2.gz URNWECJEKCHDFO-ZDUSSCGKSA-N -1 1 386.460 1.137 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccsc1 ZINC001573648454 947908606 /nfs/dbraw/zinc/90/86/06/947908606.db2.gz ZUVLYKQFANHQNP-UHIISALHSA-N -1 1 384.469 1.781 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccsc1 ZINC001573648454 947908609 /nfs/dbraw/zinc/90/86/09/947908609.db2.gz ZUVLYKQFANHQNP-UHIISALHSA-N -1 1 384.469 1.781 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1)C(C)(F)F ZINC001573650487 947910813 /nfs/dbraw/zinc/91/08/13/947910813.db2.gz CHWIJTQVAIZQBG-TUAOUCFPSA-N -1 1 392.414 1.233 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1)C(C)(F)F ZINC001573650487 947910821 /nfs/dbraw/zinc/91/08/21/947910821.db2.gz CHWIJTQVAIZQBG-TUAOUCFPSA-N -1 1 392.414 1.233 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1)C(C)(F)F ZINC001573650945 947915559 /nfs/dbraw/zinc/91/55/59/947915559.db2.gz GHSDHLQQXDGPOW-TUAOUCFPSA-N -1 1 392.414 1.233 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1)C(F)(F)F ZINC001573651691 947923407 /nfs/dbraw/zinc/92/34/07/947923407.db2.gz OUTZEANRCFMLDF-MXWKQRLJSA-N -1 1 396.377 1.140 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1)C(F)(F)F ZINC001573651691 947923410 /nfs/dbraw/zinc/92/34/10/947923410.db2.gz OUTZEANRCFMLDF-MXWKQRLJSA-N -1 1 396.377 1.140 20 0 GDADMM C[C@H](C(=O)N[C@](C)(CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)C(C)(F)F ZINC001573652105 947928939 /nfs/dbraw/zinc/92/89/39/947928939.db2.gz AWHRSWBGOWUQTD-RFAUZJTJSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@H](C(=O)N[C@](C)(CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)C(C)(F)F ZINC001573652105 947928941 /nfs/dbraw/zinc/92/89/41/947928941.db2.gz AWHRSWBGOWUQTD-RFAUZJTJSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@@H](C(=O)NC1(C2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CC1)C1CC1 ZINC001573656213 947985361 /nfs/dbraw/zinc/98/53/61/947985361.db2.gz DLJKQRINIZGWGX-GFCCVEGCSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](C(=O)NC1(C2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CC1)C1CC1 ZINC001573656213 947985371 /nfs/dbraw/zinc/98/53/71/947985371.db2.gz DLJKQRINIZGWGX-GFCCVEGCSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](C(=O)NC1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)c1ccco1 ZINC001573656452 947990483 /nfs/dbraw/zinc/99/04/83/947990483.db2.gz GORYRFOPJHCSDM-LBPRGKRZSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](C(=O)NC1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)c1ccco1 ZINC001573656452 947990486 /nfs/dbraw/zinc/99/04/86/947990486.db2.gz GORYRFOPJHCSDM-LBPRGKRZSA-N -1 1 382.428 1.529 20 0 GDADMM Cc1onc(CC(=O)N(Cc2cc[nH]n2)Cc2ccccc2)c1-c1nnn[n-]1 ZINC000826343747 947994590 /nfs/dbraw/zinc/99/45/90/947994590.db2.gz LWOISMVAEHUZHZ-UHFFFAOYSA-N -1 1 378.396 1.658 20 0 GDADMM Cc1onc(CC(=O)N(Cc2cc[nH]n2)Cc2ccccc2)c1-c1nn[n-]n1 ZINC000826343747 947994596 /nfs/dbraw/zinc/99/45/96/947994596.db2.gz LWOISMVAEHUZHZ-UHFFFAOYSA-N -1 1 378.396 1.658 20 0 GDADMM C[C@H](C(=O)NC1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C(F)(F)F ZINC001573657664 948002836 /nfs/dbraw/zinc/00/28/36/948002836.db2.gz OJKLHXAQXKIANK-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@H](c3nncn3C3CC3)C2)c1-c1nnn[n-]1 ZINC000826344389 948006740 /nfs/dbraw/zinc/00/67/40/948006740.db2.gz GMXOBTIQDRDNJO-NSHDSACASA-N -1 1 383.416 1.038 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@H](c3nncn3C3CC3)C2)c1-c1nn[n-]n1 ZINC000826344389 948006748 /nfs/dbraw/zinc/00/67/48/948006748.db2.gz GMXOBTIQDRDNJO-NSHDSACASA-N -1 1 383.416 1.038 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](c2nccn2C)c2ccc(F)cc2)c1-c1nnn[n-]1 ZINC000826345583 948025772 /nfs/dbraw/zinc/02/57/72/948025772.db2.gz OKIUNPCMGWNYQI-MRXNPFEDSA-N -1 1 396.386 1.484 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](c2nccn2C)c2ccc(F)cc2)c1-c1nn[n-]n1 ZINC000826345583 948025782 /nfs/dbraw/zinc/02/57/82/948025782.db2.gz OKIUNPCMGWNYQI-MRXNPFEDSA-N -1 1 396.386 1.484 20 0 GDADMM Cc1onc(CC(=O)NC(C)(C)CNC(=O)OC(C)(C)C)c1-c1nnn[n-]1 ZINC000826345453 948025882 /nfs/dbraw/zinc/02/58/82/948025882.db2.gz LEOAQMUSCVLFMB-UHFFFAOYSA-N -1 1 379.421 1.125 20 0 GDADMM Cc1onc(CC(=O)NC(C)(C)CNC(=O)OC(C)(C)C)c1-c1nn[n-]n1 ZINC000826345453 948025891 /nfs/dbraw/zinc/02/58/91/948025891.db2.gz LEOAQMUSCVLFMB-UHFFFAOYSA-N -1 1 379.421 1.125 20 0 GDADMM C[C@H](C(=O)NC1(CNc2cnc(-c3nnn[n-]3)cn2)CCCC1)C(F)(F)F ZINC001573662440 948026809 /nfs/dbraw/zinc/02/68/09/948026809.db2.gz DZZARXMDCAUOJF-SECBINFHSA-N -1 1 384.366 1.696 20 0 GDADMM C[C@H](C(=O)NC1(CNc2cnc(-c3nn[n-]n3)cn2)CCCC1)C(F)(F)F ZINC001573662440 948026818 /nfs/dbraw/zinc/02/68/18/948026818.db2.gz DZZARXMDCAUOJF-SECBINFHSA-N -1 1 384.366 1.696 20 0 GDADMM Cc1onc(CC(=O)N=c2sccn2Cc2ccccc2F)c1-c1nnn[n-]1 ZINC000826345618 948027915 /nfs/dbraw/zinc/02/79/15/948027915.db2.gz PHOQFRQOJONOOO-UHFFFAOYSA-N -1 1 399.411 1.884 20 0 GDADMM Cc1onc(CC(=O)N=c2sccn2Cc2ccccc2F)c1-c1nn[n-]n1 ZINC000826345618 948027923 /nfs/dbraw/zinc/02/79/23/948027923.db2.gz PHOQFRQOJONOOO-UHFFFAOYSA-N -1 1 399.411 1.884 20 0 GDADMM Cc1onc(CC(=O)N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)c1-c1nnn[n-]1 ZINC000826345789 948030156 /nfs/dbraw/zinc/03/01/56/948030156.db2.gz UPXQSTKTJXPIJY-WMLDXEAASA-N -1 1 386.387 1.881 20 0 GDADMM Cc1onc(CC(=O)N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)c1-c1nn[n-]n1 ZINC000826345789 948030165 /nfs/dbraw/zinc/03/01/65/948030165.db2.gz UPXQSTKTJXPIJY-WMLDXEAASA-N -1 1 386.387 1.881 20 0 GDADMM C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)C(C)(F)F ZINC001573663820 948042355 /nfs/dbraw/zinc/04/23/55/948042355.db2.gz AKGOHPZGJNOJAV-WAAKLRNESA-N -1 1 392.414 1.564 20 0 GDADMM C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)C(C)(F)F ZINC001573663820 948042366 /nfs/dbraw/zinc/04/23/66/948042366.db2.gz AKGOHPZGJNOJAV-WAAKLRNESA-N -1 1 392.414 1.564 20 0 GDADMM Cc1onc(CC(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)c1-c1nnn[n-]1 ZINC000826347669 948057922 /nfs/dbraw/zinc/05/79/22/948057922.db2.gz ZIIDCBJSQVQJIV-KDOFPFPSSA-N -1 1 382.424 1.990 20 0 GDADMM Cc1onc(CC(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)c1-c1nn[n-]n1 ZINC000826347669 948057933 /nfs/dbraw/zinc/05/79/33/948057933.db2.gz ZIIDCBJSQVQJIV-KDOFPFPSSA-N -1 1 382.424 1.990 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2)C(C)(F)F ZINC001573664576 948058797 /nfs/dbraw/zinc/05/87/97/948058797.db2.gz FVGHOFQJZSDBCB-WDEREUQCSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2)C(C)(F)F ZINC001573664576 948058807 /nfs/dbraw/zinc/05/88/07/948058807.db2.gz FVGHOFQJZSDBCB-WDEREUQCSA-N -1 1 392.414 1.423 20 0 GDADMM Cc1onc(CC(=O)NCc2cccc(NC(=O)C3CCC3)c2)c1-c1nnn[n-]1 ZINC000826348173 948067270 /nfs/dbraw/zinc/06/72/70/948067270.db2.gz YFXDNTBDAKKZIR-UHFFFAOYSA-N -1 1 395.423 1.761 20 0 GDADMM Cc1onc(CC(=O)NCc2cccc(NC(=O)C3CCC3)c2)c1-c1nn[n-]n1 ZINC000826348173 948067278 /nfs/dbraw/zinc/06/72/78/948067278.db2.gz YFXDNTBDAKKZIR-UHFFFAOYSA-N -1 1 395.423 1.761 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1)C(C)(F)F ZINC001573666622 948090002 /nfs/dbraw/zinc/09/00/02/948090002.db2.gz URGDQBGSVULTOQ-QWRGUYRKSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1)C(C)(F)F ZINC001573666622 948090013 /nfs/dbraw/zinc/09/00/13/948090013.db2.gz URGDQBGSVULTOQ-QWRGUYRKSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C)C1CCC1 ZINC001573675904 948122382 /nfs/dbraw/zinc/12/23/82/948122382.db2.gz RPFDKQNUDPNLJZ-JSGCOSHPSA-N -1 1 384.488 1.814 20 0 GDADMM Cn1ccnc1CN1CCC[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)C1=O ZINC000826363966 948140397 /nfs/dbraw/zinc/14/03/97/948140397.db2.gz HCOWZFPRMFKXFV-NSHDSACASA-N -1 1 387.835 1.252 20 0 GDADMM Cn1ccnc1CN1CCC[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)C1=O ZINC000826363966 948140402 /nfs/dbraw/zinc/14/04/02/948140402.db2.gz HCOWZFPRMFKXFV-NSHDSACASA-N -1 1 387.835 1.252 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C)C1CCCC1 ZINC001573677805 948140948 /nfs/dbraw/zinc/14/09/48/948140948.db2.gz FHKUOSKBJIEAIL-OCCSQVGLSA-N -1 1 384.488 1.814 20 0 GDADMM Nc1n[nH]c(CCCNC(=O)Nc2ccc(C(F)(F)F)nc2)c1-c1nnn[n-]1 ZINC000826396427 948208301 /nfs/dbraw/zinc/20/83/01/948208301.db2.gz XWCJBMXQXAHMHN-UHFFFAOYSA-N -1 1 396.337 1.340 20 0 GDADMM Nc1n[nH]c(CCCNC(=O)Nc2ccc(C(F)(F)F)nc2)c1-c1nn[n-]n1 ZINC000826396427 948208309 /nfs/dbraw/zinc/20/83/09/948208309.db2.gz XWCJBMXQXAHMHN-UHFFFAOYSA-N -1 1 396.337 1.340 20 0 GDADMM O=C(C=CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])Nc1ccc2n[nH]cc2c1 ZINC000826399670 948214708 /nfs/dbraw/zinc/21/47/08/948214708.db2.gz BZIJFCDALDUYCC-WAYWQWQTSA-N -1 1 390.363 1.582 20 0 GDADMM C[C@@H](C(=O)NC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1ccsc1 ZINC001573681877 948217317 /nfs/dbraw/zinc/21/73/17/948217317.db2.gz YIGPHSOVFRIODR-ZWNOBZJWSA-N -1 1 384.469 1.251 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCC1)c1ccsc1 ZINC001573691341 948238141 /nfs/dbraw/zinc/23/81/41/948238141.db2.gz FLESOUXRUAHDEE-NSHDSACASA-N -1 1 384.469 1.973 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCC1)c1ccsc1 ZINC001573691341 948238152 /nfs/dbraw/zinc/23/81/52/948238152.db2.gz FLESOUXRUAHDEE-NSHDSACASA-N -1 1 384.469 1.973 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCC1)c1ccsc1 ZINC001573691340 948239724 /nfs/dbraw/zinc/23/97/24/948239724.db2.gz FLESOUXRUAHDEE-LLVKDONJSA-N -1 1 384.469 1.973 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCC1)c1ccsc1 ZINC001573691340 948239735 /nfs/dbraw/zinc/23/97/35/948239735.db2.gz FLESOUXRUAHDEE-LLVKDONJSA-N -1 1 384.469 1.973 20 0 GDADMM C[C@@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1)C1CCC1 ZINC001573696326 948321846 /nfs/dbraw/zinc/32/18/46/948321846.db2.gz NZOQGLBIZKFLHU-LLVKDONJSA-N -1 1 376.486 1.027 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)c1ccsc1 ZINC001573702312 948345044 /nfs/dbraw/zinc/34/50/44/948345044.db2.gz DSTKMBUXTJYSMF-DGCLKSJQSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)c1ccsc1 ZINC001573702313 948345469 /nfs/dbraw/zinc/34/54/69/948345469.db2.gz DSTKMBUXTJYSMF-WCQYABFASA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1)n1cccc1 ZINC001573704107 948365222 /nfs/dbraw/zinc/36/52/22/948365222.db2.gz PANQSFAQONHMMP-ZIAGYGMSSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCC(C)(C)CN1c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573704171 948366762 /nfs/dbraw/zinc/36/67/62/948366762.db2.gz PYYUUCMMFCFEBH-JSGCOSHPSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCC(C)(C)CN1c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573704171 948366767 /nfs/dbraw/zinc/36/67/67/948366767.db2.gz PYYUUCMMFCFEBH-JSGCOSHPSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1)c1cccnc1 ZINC001573704194 948367261 /nfs/dbraw/zinc/36/72/61/948367261.db2.gz QITGWPXLEXADMG-DCBWTQNWSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@H](C(=O)NCC1CC(Nc2cncc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573704194 948367269 /nfs/dbraw/zinc/36/72/69/948367269.db2.gz QITGWPXLEXADMG-DCBWTQNWSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)c1ccsc1 ZINC001573704231 948368759 /nfs/dbraw/zinc/36/87/59/948368759.db2.gz QTXSLEQMGJLPBG-DGCLKSJQSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)c1ccsc1 ZINC001573704231 948368762 /nfs/dbraw/zinc/36/87/62/948368762.db2.gz QTXSLEQMGJLPBG-DGCLKSJQSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CCCC1 ZINC001573704401 948372562 /nfs/dbraw/zinc/37/25/62/948372562.db2.gz RRRUCDPVUUHUQC-ZIAGYGMSSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CCCC1 ZINC001573704401 948372567 /nfs/dbraw/zinc/37/25/67/948372567.db2.gz RRRUCDPVUUHUQC-ZIAGYGMSSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)n1cccc1 ZINC001573704551 948376004 /nfs/dbraw/zinc/37/60/04/948376004.db2.gz BXVSMVSLLGSOJI-CYBMUJFWSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@H](C(=O)NCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)n1cccc1 ZINC001573704551 948376009 /nfs/dbraw/zinc/37/60/09/948376009.db2.gz BXVSMVSLLGSOJI-CYBMUJFWSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@H](C(=O)NCCC1(CNc2nccnc2-c2nnn[n-]2)CC1)c1ccco1 ZINC001573704938 948386562 /nfs/dbraw/zinc/38/65/62/948386562.db2.gz BWWOZTUPYBWNLG-LBPRGKRZSA-N -1 1 382.428 1.752 20 0 GDADMM C[C@H](C(=O)NCCC1(CNc2nccnc2-c2nn[n-]n2)CC1)c1ccco1 ZINC001573704938 948386568 /nfs/dbraw/zinc/38/65/68/948386568.db2.gz BWWOZTUPYBWNLG-LBPRGKRZSA-N -1 1 382.428 1.752 20 0 GDADMM C[C@H](C(=O)NCC1CCN(c2nccnc2-c2nnn[n-]2)CC1)c1ccco1 ZINC001573705274 948396443 /nfs/dbraw/zinc/39/64/43/948396443.db2.gz GWJYUWJKPBUXIE-LBPRGKRZSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@H](C(=O)NCC1CCN(c2nccnc2-c2nn[n-]n2)CC1)c1ccco1 ZINC001573705274 948396451 /nfs/dbraw/zinc/39/64/51/948396451.db2.gz GWJYUWJKPBUXIE-LBPRGKRZSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCC(C)(C)CN1c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001573705388 948400175 /nfs/dbraw/zinc/40/01/75/948400175.db2.gz WKHZEFNDNSHHIQ-OCCSQVGLSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCC(C)(C)CN1c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001573705388 948400180 /nfs/dbraw/zinc/40/01/80/948400180.db2.gz WKHZEFNDNSHHIQ-OCCSQVGLSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC001573706233 948415729 /nfs/dbraw/zinc/41/57/29/948415729.db2.gz ZNQFEBWAXBDVSP-CHWSQXEVSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC001573706233 948415731 /nfs/dbraw/zinc/41/57/31/948415731.db2.gz ZNQFEBWAXBDVSP-CHWSQXEVSA-N -1 1 382.428 1.529 20 0 GDADMM CC(C(=O)NCC1CCN(c2nccnc2-c2nnn[n-]2)CC1)=C1CCCC1 ZINC001573706528 948420775 /nfs/dbraw/zinc/42/07/75/948420775.db2.gz LMEFNKXBVMXPPG-UHFFFAOYSA-N -1 1 382.472 1.880 20 0 GDADMM CC(C(=O)NCC1CCN(c2nccnc2-c2nn[n-]n2)CC1)=C1CCCC1 ZINC001573706528 948420780 /nfs/dbraw/zinc/42/07/80/948420780.db2.gz LMEFNKXBVMXPPG-UHFFFAOYSA-N -1 1 382.472 1.880 20 0 GDADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1CCC(OC[C@H]2CCOC2)CC1 ZINC000826523236 948457482 /nfs/dbraw/zinc/45/74/82/948457482.db2.gz GBAYTULSQFHXCT-ZDUSSCGKSA-N -1 1 381.440 1.832 20 0 GDADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1CCC(OC[C@H]2CCOC2)CC1 ZINC000826523236 948457487 /nfs/dbraw/zinc/45/74/87/948457487.db2.gz GBAYTULSQFHXCT-ZDUSSCGKSA-N -1 1 381.440 1.832 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1)c1ccc(Cl)cc1 ZINC001573714856 948476059 /nfs/dbraw/zinc/47/60/59/948476059.db2.gz KFAWVHQTAYMPPL-LLVKDONJSA-N -1 1 386.847 1.666 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1)c1ccc(Cl)cc1 ZINC001573714856 948476062 /nfs/dbraw/zinc/47/60/62/948476062.db2.gz KFAWVHQTAYMPPL-LLVKDONJSA-N -1 1 386.847 1.666 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1nc(Cl)c(-c2nnn[n-]2)s1)c1ccco1 ZINC001573717469 948507689 /nfs/dbraw/zinc/50/76/89/948507689.db2.gz CRSGMSZKQNWWHH-QMMMGPOBSA-N -1 1 381.849 1.926 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1nc(Cl)c(-c2nn[n-]n2)s1)c1ccco1 ZINC001573717469 948507692 /nfs/dbraw/zinc/50/76/92/948507692.db2.gz CRSGMSZKQNWWHH-QMMMGPOBSA-N -1 1 381.849 1.926 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1)c1c(F)cccc1F ZINC001573720152 948529996 /nfs/dbraw/zinc/52/99/96/948529996.db2.gz PJAVBTXJXVGDPF-SNVBAGLBSA-N -1 1 388.382 1.291 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1)c1c(F)cccc1F ZINC001573720152 948530002 /nfs/dbraw/zinc/53/00/02/948530002.db2.gz PJAVBTXJXVGDPF-SNVBAGLBSA-N -1 1 388.382 1.291 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1)c1ccc(Cl)s1 ZINC001573720166 948531839 /nfs/dbraw/zinc/53/18/39/948531839.db2.gz PNECZHWBRIKBJV-VIFPVBQESA-N -1 1 392.876 1.728 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1)c1ccc(Cl)s1 ZINC001573720166 948531846 /nfs/dbraw/zinc/53/18/46/948531846.db2.gz PNECZHWBRIKBJV-VIFPVBQESA-N -1 1 392.876 1.728 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1nc(Cl)c(-c2nnn[n-]2)s1)[C@H]1CCCO1 ZINC001573721010 948536536 /nfs/dbraw/zinc/53/65/36/948536536.db2.gz UQQVTCYZAKQGHP-DTWKUNHWSA-N -1 1 385.881 1.344 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1nc(Cl)c(-c2nn[n-]n2)s1)[C@H]1CCCO1 ZINC001573721010 948536540 /nfs/dbraw/zinc/53/65/40/948536540.db2.gz UQQVTCYZAKQGHP-DTWKUNHWSA-N -1 1 385.881 1.344 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)C(F)(F)F ZINC001573725951 948545809 /nfs/dbraw/zinc/54/58/09/948545809.db2.gz DIGAQAGCCPSZMZ-KXUCPTDWSA-N -1 1 384.366 1.044 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)C(F)(F)F ZINC001573725951 948545814 /nfs/dbraw/zinc/54/58/14/948545814.db2.gz DIGAQAGCCPSZMZ-KXUCPTDWSA-N -1 1 384.366 1.044 20 0 GDADMM C[C@H](C(=O)NCc1ccc2c(c1)CN(c1cnc(-c3nnn[n-]3)cn1)C2)C1CC1 ZINC001573728360 948561215 /nfs/dbraw/zinc/56/12/15/948561215.db2.gz DRSPGUXTIZIUNN-LBPRGKRZSA-N -1 1 390.451 1.839 20 0 GDADMM C[C@H](C(=O)NCc1ccc2c(c1)CN(c1cnc(-c3nn[n-]n3)cn1)C2)C1CC1 ZINC001573728360 948561222 /nfs/dbraw/zinc/56/12/22/948561222.db2.gz DRSPGUXTIZIUNN-LBPRGKRZSA-N -1 1 390.451 1.839 20 0 GDADMM C[C@H](C(=O)NCc1ccc(CNc2ccnc(-c3nn[n-]n3)n2)cc1)C1CC1 ZINC001573730029 948576129 /nfs/dbraw/zinc/57/61/29/948576129.db2.gz KMZZRIGOIWTHDM-LBPRGKRZSA-N -1 1 378.440 1.353 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cccnc1 ZINC001573730521 948581069 /nfs/dbraw/zinc/58/10/69/948581069.db2.gz QITGWPXLEXADMG-YRGRVCCFSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573730521 948581072 /nfs/dbraw/zinc/58/10/72/948581072.db2.gz QITGWPXLEXADMG-YRGRVCCFSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@@H](C(=O)N[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1)c1c(F)cccc1F ZINC001573731807 948596378 /nfs/dbraw/zinc/59/63/78/948596378.db2.gz HQMNXIVZVXMBOZ-VHSXEESVSA-N -1 1 388.382 1.077 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)[C@H](C)n1cccc1 ZINC001573732139 948600677 /nfs/dbraw/zinc/60/06/77/948600677.db2.gz LODIZRKYECNGRX-IUCAKERBSA-N -1 1 380.865 1.956 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@H](C)n1cccc1 ZINC001573732139 948600679 /nfs/dbraw/zinc/60/06/79/948600679.db2.gz LODIZRKYECNGRX-IUCAKERBSA-N -1 1 380.865 1.956 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1)n1cccc1 ZINC001573736490 948615668 /nfs/dbraw/zinc/61/56/68/948615668.db2.gz XREWIQLZBJEJLN-MGPQQGTHSA-N -1 1 381.444 1.559 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1)n1cccc1 ZINC001573736490 948615673 /nfs/dbraw/zinc/61/56/73/948615673.db2.gz XREWIQLZBJEJLN-MGPQQGTHSA-N -1 1 381.444 1.559 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cccc(F)c1 ZINC001573736507 948616120 /nfs/dbraw/zinc/61/61/20/948616120.db2.gz ZDMRTQPAZRQCGG-BXUZGUMPSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H](C)c1ccc(F)cc1F ZINC001573742577 948662794 /nfs/dbraw/zinc/66/27/94/948662794.db2.gz MOYNJEAAARXZCT-NXEZZACHSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)c1ccc(F)cc1F ZINC001573742577 948662798 /nfs/dbraw/zinc/66/27/98/948662798.db2.gz MOYNJEAAARXZCT-NXEZZACHSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C)c1cccc(F)c1 ZINC001573745602 948673568 /nfs/dbraw/zinc/67/35/68/948673568.db2.gz FULQCYWGJKLXDL-JMSVASOKSA-N -1 1 396.430 1.683 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C)c1cccc(F)c1 ZINC001573745602 948673575 /nfs/dbraw/zinc/67/35/75/948673575.db2.gz FULQCYWGJKLXDL-JMSVASOKSA-N -1 1 396.430 1.683 20 0 GDADMM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)[C@H](C)C(C)(C)C ZINC001573752509 948713797 /nfs/dbraw/zinc/71/37/97/948713797.db2.gz NOYFNQFHTNSDNE-XOBFJNJYSA-N -1 1 384.488 1.526 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001573753730 948720836 /nfs/dbraw/zinc/72/08/36/948720836.db2.gz XKKUVARKITWFTL-ATGSNQNLSA-N -1 1 391.439 1.081 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)Cc1ccc(F)c(F)c1 ZINC001574678330 948745652 /nfs/dbraw/zinc/74/56/52/948745652.db2.gz CZLAKKNKTKHKQL-JTQLQIEISA-N -1 1 388.382 1.484 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)Cc1ccc(F)c(F)c1 ZINC001574678330 948745657 /nfs/dbraw/zinc/74/56/57/948745657.db2.gz CZLAKKNKTKHKQL-JTQLQIEISA-N -1 1 388.382 1.484 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575222154 948754753 /nfs/dbraw/zinc/75/47/53/948754753.db2.gz FPDMJLLNSLLRST-MNOVXSKESA-N -1 1 392.414 1.211 20 0 GDADMM C[C@@H](CNC(=O)CCc1ccc(Cl)s1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574914867 948757034 /nfs/dbraw/zinc/75/70/34/948757034.db2.gz OGALWJWFNDOYQP-VIFPVBQESA-N -1 1 392.876 1.921 20 0 GDADMM C[C@@H](CNC(=O)CCc1ccc(Cl)s1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574914867 948757046 /nfs/dbraw/zinc/75/70/46/948757046.db2.gz OGALWJWFNDOYQP-VIFPVBQESA-N -1 1 392.876 1.921 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001574679082 948766616 /nfs/dbraw/zinc/76/66/16/948766616.db2.gz NECMIAKQUWAYSI-CFVMTHIKSA-N -1 1 378.440 1.767 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001574679082 948766631 /nfs/dbraw/zinc/76/66/31/948766631.db2.gz NECMIAKQUWAYSI-CFVMTHIKSA-N -1 1 378.440 1.767 20 0 GDADMM C[C@H](C(=O)Nc1nccc(-c2ccc(F)c(F)c2)n1)n1cnc(-c2nn[n-]n2)n1 ZINC001573755645 948775905 /nfs/dbraw/zinc/77/59/05/948775905.db2.gz RRAHCHMFXFWBCL-MRVPVSSYSA-N -1 1 398.337 1.393 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)C(C)(C)c1ccccc1 ZINC001574679366 948777035 /nfs/dbraw/zinc/77/70/35/948777035.db2.gz UDWRSVMUFQYTOC-CYBMUJFWSA-N -1 1 380.456 1.941 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)C(C)(C)c1ccccc1 ZINC001574679366 948777044 /nfs/dbraw/zinc/77/70/44/948777044.db2.gz UDWRSVMUFQYTOC-CYBMUJFWSA-N -1 1 380.456 1.941 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CC[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001575224463 948784817 /nfs/dbraw/zinc/78/48/17/948784817.db2.gz WKOPQYRPMWGZLE-MNOVXSKESA-N -1 1 392.414 1.789 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CC[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001575224463 948784824 /nfs/dbraw/zinc/78/48/24/948784824.db2.gz WKOPQYRPMWGZLE-MNOVXSKESA-N -1 1 392.414 1.789 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)COc1ccccc1F ZINC001574679513 948785173 /nfs/dbraw/zinc/78/51/73/948785173.db2.gz WPHSDZHAEKRUGV-NSHDSACASA-N -1 1 386.391 1.182 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)COc1ccccc1F ZINC001574679513 948785184 /nfs/dbraw/zinc/78/51/84/948785184.db2.gz WPHSDZHAEKRUGV-NSHDSACASA-N -1 1 386.391 1.182 20 0 GDADMM CC(C)[C@@H](F)C(=O)N[C@H](C)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574080296 948789972 /nfs/dbraw/zinc/78/99/72/948789972.db2.gz OHNNDBXBIZEVJI-IAQYHMDHSA-N -1 1 376.440 1.372 20 0 GDADMM CC(C)[C@@H](F)C(=O)N[C@H](C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574080296 948789983 /nfs/dbraw/zinc/78/99/83/948789983.db2.gz OHNNDBXBIZEVJI-IAQYHMDHSA-N -1 1 376.440 1.372 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cnn(C2CCC2)c1 ZINC001574679637 948793023 /nfs/dbraw/zinc/79/30/23/948793023.db2.gz ZGNXFJCMSKNCBP-NSHDSACASA-N -1 1 382.432 1.199 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cnn(C2CCC2)c1 ZINC001574679637 948793037 /nfs/dbraw/zinc/79/30/37/948793037.db2.gz ZGNXFJCMSKNCBP-NSHDSACASA-N -1 1 382.432 1.199 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001574420605 948804041 /nfs/dbraw/zinc/80/40/41/948804041.db2.gz ZTZZAZJMZISLMI-GFCCVEGCSA-N -1 1 379.428 1.184 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001574420605 948804053 /nfs/dbraw/zinc/80/40/53/948804053.db2.gz ZTZZAZJMZISLMI-GFCCVEGCSA-N -1 1 379.428 1.184 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1sccc1Cl ZINC001574680347 948804636 /nfs/dbraw/zinc/80/46/36/948804636.db2.gz GIWZCDPQTKKDCH-MRVPVSSYSA-N -1 1 378.849 1.992 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1sccc1Cl ZINC001574680347 948804654 /nfs/dbraw/zinc/80/46/54/948804654.db2.gz GIWZCDPQTKKDCH-MRVPVSSYSA-N -1 1 378.849 1.992 20 0 GDADMM CC(C)c1ccoc1C(=O)N(C)CCCN(C)c1nccnc1-c1nnn[n-]1 ZINC001574421121 948814037 /nfs/dbraw/zinc/81/40/37/948814037.db2.gz HDJJGZFXHTUSRM-UHFFFAOYSA-N -1 1 384.444 1.972 20 0 GDADMM CC(C)c1ccoc1C(=O)N(C)CCCN(C)c1nccnc1-c1nn[n-]n1 ZINC001574421121 948814052 /nfs/dbraw/zinc/81/40/52/948814052.db2.gz HDJJGZFXHTUSRM-UHFFFAOYSA-N -1 1 384.444 1.972 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cc1cccc(F)c1F ZINC001574681314 948815398 /nfs/dbraw/zinc/81/53/98/948815398.db2.gz LHSCELNBKUVMOS-JTQLQIEISA-N -1 1 388.382 1.484 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cc1cccc(F)c1F ZINC001574681314 948815409 /nfs/dbraw/zinc/81/54/09/948815409.db2.gz LHSCELNBKUVMOS-JTQLQIEISA-N -1 1 388.382 1.484 20 0 GDADMM CC(F)(F)CC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001575226963 948820125 /nfs/dbraw/zinc/82/01/25/948820125.db2.gz QHQJWJPKPJGCSS-PHIMTYICSA-N -1 1 378.387 1.272 20 0 GDADMM CC(C)c1ccoc1C(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574421756 948823645 /nfs/dbraw/zinc/82/36/45/948823645.db2.gz OAKFFYZHOQMRLZ-LBPRGKRZSA-N -1 1 382.428 1.724 20 0 GDADMM CC(F)(F)CC(=O)N1C[C@@H]2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H]2C1 ZINC001575227388 948828539 /nfs/dbraw/zinc/82/85/39/948828539.db2.gz VUCITMRQPRMIBE-QJPTWQEYSA-N -1 1 392.414 1.741 20 0 GDADMM CC(F)(F)CC(=O)N1C[C@@H]2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H]2C1 ZINC001575227388 948828553 /nfs/dbraw/zinc/82/85/53/948828553.db2.gz VUCITMRQPRMIBE-QJPTWQEYSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[C@@H]1CCC(F)(F)C1 ZINC001574682617 948831746 /nfs/dbraw/zinc/83/17/46/948831746.db2.gz QZOIZLYEGOLDBY-QWRGUYRKSA-N -1 1 380.403 1.789 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[C@@H]1CCC(F)(F)C1 ZINC001574682617 948831764 /nfs/dbraw/zinc/83/17/64/948831764.db2.gz QZOIZLYEGOLDBY-QWRGUYRKSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CC(=O)N1CCC2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575227629 948832635 /nfs/dbraw/zinc/83/26/35/948832635.db2.gz XCOUOCIGKUHWGH-UHFFFAOYSA-N -1 1 392.414 1.521 20 0 GDADMM CC(C)c1ccoc1C(=O)N(C)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574422379 948834866 /nfs/dbraw/zinc/83/48/66/948834866.db2.gz ZSYXZWNJVUZEFC-LBPRGKRZSA-N -1 1 382.428 1.724 20 0 GDADMM CC(C)c1ccoc1C(=O)N(C)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574422379 948834883 /nfs/dbraw/zinc/83/48/83/948834883.db2.gz ZSYXZWNJVUZEFC-LBPRGKRZSA-N -1 1 382.428 1.724 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cc(C(C)(C)C)on1 ZINC001574683347 948851490 /nfs/dbraw/zinc/85/14/90/948851490.db2.gz XZOCOOWDDDBQDC-SNVBAGLBSA-N -1 1 385.432 1.563 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cc(C(C)(C)C)on1 ZINC001574683347 948851503 /nfs/dbraw/zinc/85/15/03/948851503.db2.gz XZOCOOWDDDBQDC-SNVBAGLBSA-N -1 1 385.432 1.563 20 0 GDADMM CC(C)c1nc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)cs1 ZINC001574424573 948854272 /nfs/dbraw/zinc/85/42/72/948854272.db2.gz QLCMYMSSYYVWBY-JTQLQIEISA-N -1 1 385.457 1.245 20 0 GDADMM CC(C)c1nc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)cs1 ZINC001574424573 948854293 /nfs/dbraw/zinc/85/42/93/948854293.db2.gz QLCMYMSSYYVWBY-JTQLQIEISA-N -1 1 385.457 1.245 20 0 GDADMM CC(C)(C(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001573763102 948866101 /nfs/dbraw/zinc/86/61/01/948866101.db2.gz AXLDEJPGDRVDIZ-GJZGRUSLSA-N -1 1 382.472 1.663 20 0 GDADMM CC(C)(C(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001573763102 948866115 /nfs/dbraw/zinc/86/61/15/948866115.db2.gz AXLDEJPGDRVDIZ-GJZGRUSLSA-N -1 1 382.472 1.663 20 0 GDADMM CC(C)(C(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)C(F)(F)F ZINC001573763477 948873239 /nfs/dbraw/zinc/87/32/39/948873239.db2.gz FWRXSQBELRJZLG-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)(C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)C(F)(F)F ZINC001573763477 948873256 /nfs/dbraw/zinc/87/32/56/948873256.db2.gz FWRXSQBELRJZLG-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001575234329 948897965 /nfs/dbraw/zinc/89/79/65/948897965.db2.gz BAQVGYLGHZIGLO-SJKOYZFVSA-N -1 1 392.414 1.710 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001575234329 948897974 /nfs/dbraw/zinc/89/79/74/948897974.db2.gz BAQVGYLGHZIGLO-SJKOYZFVSA-N -1 1 392.414 1.710 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)s1 ZINC001574427318 948902947 /nfs/dbraw/zinc/90/29/47/948902947.db2.gz CKRMTYSXNHKXHP-JTQLQIEISA-N -1 1 385.457 1.245 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)s1 ZINC001574427318 948902957 /nfs/dbraw/zinc/90/29/57/948902957.db2.gz CKRMTYSXNHKXHP-JTQLQIEISA-N -1 1 385.457 1.245 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@H]2[C@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575234846 948908360 /nfs/dbraw/zinc/90/83/60/948908360.db2.gz HLHFZPDIXTVXJC-NEPJUHHUSA-N -1 1 392.414 1.519 20 0 GDADMM CC(C)(C(=O)N1CCCO[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)C1CC1 ZINC001573765415 948908583 /nfs/dbraw/zinc/90/85/83/948908583.db2.gz DJZDRJPOTHQUQP-CYBMUJFWSA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)(C(=O)N1CCCO[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)C1CC1 ZINC001573765415 948908594 /nfs/dbraw/zinc/90/85/94/948908594.db2.gz DJZDRJPOTHQUQP-CYBMUJFWSA-N -1 1 386.460 1.122 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC(CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575234833 948910438 /nfs/dbraw/zinc/91/04/38/948910438.db2.gz GYVUKDUZHINHMW-UHFFFAOYSA-N -1 1 380.403 1.743 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC(CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575234833 948910456 /nfs/dbraw/zinc/91/04/56/948910456.db2.gz GYVUKDUZHINHMW-UHFFFAOYSA-N -1 1 380.403 1.743 20 0 GDADMM CC(C)c1ncc(C(=O)N2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)s1 ZINC001574427834 948915553 /nfs/dbraw/zinc/91/55/53/948915553.db2.gz RIOGEMLJLDTPHU-UHFFFAOYSA-N -1 1 385.457 1.199 20 0 GDADMM CC(C)c1ncc(C(=O)N2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)s1 ZINC001574427834 948915565 /nfs/dbraw/zinc/91/55/65/948915565.db2.gz RIOGEMLJLDTPHU-UHFFFAOYSA-N -1 1 385.457 1.199 20 0 GDADMM CC(C)(C(=O)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1)c1ccccc1 ZINC001573765592 948917796 /nfs/dbraw/zinc/91/77/96/948917796.db2.gz PTYGVYNXASHCIO-UHFFFAOYSA-N -1 1 392.467 1.673 20 0 GDADMM CC(C)(C(=O)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1)c1ccccc1 ZINC001573765592 948917808 /nfs/dbraw/zinc/91/78/08/948917808.db2.gz PTYGVYNXASHCIO-UHFFFAOYSA-N -1 1 392.467 1.673 20 0 GDADMM CC(C)[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CCO1 ZINC001574088319 948918430 /nfs/dbraw/zinc/91/84/30/948918430.db2.gz AUGPUMWDIATKCN-PWNZVWSESA-N -1 1 386.460 1.167 20 0 GDADMM CC(C)[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CCO1 ZINC001574088319 948918447 /nfs/dbraw/zinc/91/84/47/948918447.db2.gz AUGPUMWDIATKCN-PWNZVWSESA-N -1 1 386.460 1.167 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001575235500 948919494 /nfs/dbraw/zinc/91/94/94/948919494.db2.gz MZKSIXUUAVXQOC-QGZVFWFLSA-N -1 1 392.414 1.521 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001575235500 948919499 /nfs/dbraw/zinc/91/94/99/948919499.db2.gz MZKSIXUUAVXQOC-QGZVFWFLSA-N -1 1 392.414 1.521 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC(C)(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001575236162 948938465 /nfs/dbraw/zinc/93/84/65/948938465.db2.gz WSGUNIXQZSAXGA-UHFFFAOYSA-N -1 1 380.403 1.885 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC(C)(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001575236162 948938477 /nfs/dbraw/zinc/93/84/77/948938477.db2.gz WSGUNIXQZSAXGA-UHFFFAOYSA-N -1 1 380.403 1.885 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575237320 948945633 /nfs/dbraw/zinc/94/56/33/948945633.db2.gz DVVNGKBIOULJPV-WDEREUQCSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575237320 948945647 /nfs/dbraw/zinc/94/56/47/948945647.db2.gz DVVNGKBIOULJPV-WDEREUQCSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001575237498 948946789 /nfs/dbraw/zinc/94/67/89/948946789.db2.gz GOGVBQBXAOAFPS-TUAOUCFPSA-N -1 1 392.414 1.566 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001575237498 948946800 /nfs/dbraw/zinc/94/68/00/948946800.db2.gz GOGVBQBXAOAFPS-TUAOUCFPSA-N -1 1 392.414 1.566 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575237537 948947567 /nfs/dbraw/zinc/94/75/67/948947567.db2.gz HASHWVQEDCCKJQ-WDEREUQCSA-N -1 1 380.403 1.211 20 0 GDADMM CC(C)[C@@H]1C[C@@H](CC(=O)NCCN(C)c2nccnc2-c2nnn[n-]2)CCO1 ZINC001574089194 948948817 /nfs/dbraw/zinc/94/88/17/948948817.db2.gz DLHNLKDMWXFKTM-KBPBESRZSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)[C@@H]1C[C@@H](CC(=O)NCCN(C)c2nccnc2-c2nn[n-]n2)CCO1 ZINC001574089194 948948829 /nfs/dbraw/zinc/94/88/29/948948829.db2.gz DLHNLKDMWXFKTM-KBPBESRZSA-N -1 1 388.476 1.050 20 0 GDADMM CC(F)(F)CCC(=O)NC[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575238354 948950673 /nfs/dbraw/zinc/95/06/73/948950673.db2.gz LBXJYSVPDGFUEO-NSHDSACASA-N -1 1 380.403 1.425 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C(F)F ZINC001573772238 948951760 /nfs/dbraw/zinc/95/17/60/948951760.db2.gz RPEICHBYKBFNJA-NXEZZACHSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C(F)F ZINC001573772238 948951771 /nfs/dbraw/zinc/95/17/71/948951771.db2.gz RPEICHBYKBFNJA-NXEZZACHSA-N -1 1 380.403 1.645 20 0 GDADMM CC(F)(F)CCC(=O)NC[C@H]1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575238919 948953476 /nfs/dbraw/zinc/95/34/76/948953476.db2.gz NRMWJXVQDBGCFU-WDEREUQCSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CCC(=O)NC[C@H]1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575238919 948953488 /nfs/dbraw/zinc/95/34/88/948953488.db2.gz NRMWJXVQDBGCFU-WDEREUQCSA-N -1 1 380.403 1.789 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@@H](C)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574433842 948968452 /nfs/dbraw/zinc/96/84/52/948968452.db2.gz SBLDPWLBHAQIMG-ZJUUUORDSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@@H](C)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574433842 948968460 /nfs/dbraw/zinc/96/84/60/948968460.db2.gz SBLDPWLBHAQIMG-ZJUUUORDSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)C1CCCC1 ZINC001573774530 949010739 /nfs/dbraw/zinc/01/07/39/949010739.db2.gz UPEZEGYLQMIFOM-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)C1CCCC1 ZINC001573774530 949010747 /nfs/dbraw/zinc/01/07/47/949010747.db2.gz UPEZEGYLQMIFOM-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CCCCC1(F)F ZINC001574691277 949014739 /nfs/dbraw/zinc/01/47/39/949014739.db2.gz VZAFKCBIYKJVIY-QWRGUYRKSA-N -1 1 380.403 1.789 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CCCCC1(F)F ZINC001574691277 949014761 /nfs/dbraw/zinc/01/47/61/949014761.db2.gz VZAFKCBIYKJVIY-QWRGUYRKSA-N -1 1 380.403 1.789 20 0 GDADMM CC(C)c1nnsc1C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574439842 949017198 /nfs/dbraw/zinc/01/71/98/949017198.db2.gz KBPKQASKGOYGMG-UHFFFAOYSA-N -1 1 386.445 1.006 20 0 GDADMM CC(C)c1nnsc1C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574439842 949017222 /nfs/dbraw/zinc/01/72/22/949017222.db2.gz KBPKQASKGOYGMG-UHFFFAOYSA-N -1 1 386.445 1.006 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)C1CCC(F)(F)CC1 ZINC001574691435 949028860 /nfs/dbraw/zinc/02/88/60/949028860.db2.gz XRGHFCRERCZVOZ-SNVBAGLBSA-N -1 1 380.403 1.789 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)C1CCC(F)(F)CC1 ZINC001574691435 949028878 /nfs/dbraw/zinc/02/88/78/949028878.db2.gz XRGHFCRERCZVOZ-SNVBAGLBSA-N -1 1 380.403 1.789 20 0 GDADMM CC(C)(C(=O)NC[C@H](CO)Nc1snc(Cl)c1-c1nnn[n-]1)C1CC1 ZINC001573775462 949040518 /nfs/dbraw/zinc/04/05/18/949040518.db2.gz XAYXGGYTHVJXDP-MRVPVSSYSA-N -1 1 385.881 1.302 20 0 GDADMM CC(C)(C(=O)NC[C@H](CO)Nc1snc(Cl)c1-c1nn[n-]n1)C1CC1 ZINC001573775462 949040539 /nfs/dbraw/zinc/04/05/39/949040539.db2.gz XAYXGGYTHVJXDP-MRVPVSSYSA-N -1 1 385.881 1.302 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)NCCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574092166 949049198 /nfs/dbraw/zinc/04/91/98/949049198.db2.gz QKKGOWCMZBAUTF-CABCVRRESA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)NCCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574092166 949049214 /nfs/dbraw/zinc/04/92/14/949049214.db2.gz QKKGOWCMZBAUTF-CABCVRRESA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)(C(=O)NCC1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573778951 949050907 /nfs/dbraw/zinc/05/09/07/949050907.db2.gz AMFXIQMNEMWJEO-UHFFFAOYSA-N -1 1 384.488 1.602 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573779452 949061555 /nfs/dbraw/zinc/06/15/55/949061555.db2.gz IKDSQJNKVJYHQQ-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)c1occc1C(=O)N1C[C@H](C)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574441679 949067708 /nfs/dbraw/zinc/06/77/08/949067708.db2.gz RZOPAKQRPPARPH-SMDDNHRTSA-N -1 1 382.428 1.946 20 0 GDADMM CC(C)c1occc1C(=O)N1C[C@H](C)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574441679 949067729 /nfs/dbraw/zinc/06/77/29/949067729.db2.gz RZOPAKQRPPARPH-SMDDNHRTSA-N -1 1 382.428 1.946 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)c1csnn1 ZINC001574694648 949088068 /nfs/dbraw/zinc/08/80/68/949088068.db2.gz TYOOWYSQMULFOA-RXMQYKEDSA-N -1 1 385.866 1.449 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)c1csnn1 ZINC001574694648 949088087 /nfs/dbraw/zinc/08/80/87/949088087.db2.gz TYOOWYSQMULFOA-RXMQYKEDSA-N -1 1 385.866 1.449 20 0 GDADMM C[C@H](NC(=O)C1(C(F)F)CC1)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575249051 949088780 /nfs/dbraw/zinc/08/87/80/949088780.db2.gz AWYFSOUNVPPTEO-WDEREUQCSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@H](NC(=O)C1(C(F)F)CC1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575249051 949088801 /nfs/dbraw/zinc/08/88/01/949088801.db2.gz AWYFSOUNVPPTEO-WDEREUQCSA-N -1 1 392.414 1.423 20 0 GDADMM CC(C)c1nocc1C(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574442104 949090722 /nfs/dbraw/zinc/09/07/22/949090722.db2.gz KQTXUWKZUUBYSK-ZYHUDNBSSA-N -1 1 383.416 1.341 20 0 GDADMM CC(C)c1nocc1C(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574442104 949090745 /nfs/dbraw/zinc/09/07/45/949090745.db2.gz KQTXUWKZUUBYSK-ZYHUDNBSSA-N -1 1 383.416 1.341 20 0 GDADMM CC(C)c1nocc1C(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574443313 949110114 /nfs/dbraw/zinc/11/01/14/949110114.db2.gz XQQDFYDYMHHQCC-UHFFFAOYSA-N -1 1 383.416 1.121 20 0 GDADMM CC(C)c1occc1C(=O)NCCN(c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001574445767 949111444 /nfs/dbraw/zinc/11/14/44/949111444.db2.gz CGUYLJJVJYWVER-UHFFFAOYSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1occc1C(=O)NCCN(c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001574445767 949111459 /nfs/dbraw/zinc/11/14/59/949111459.db2.gz CGUYLJJVJYWVER-UHFFFAOYSA-N -1 1 382.428 1.772 20 0 GDADMM C[C@H](NC(=O)C(C)(C)C1CCOCC1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575251063 949127674 /nfs/dbraw/zinc/12/76/74/949127674.db2.gz KQGZGJBSGGFDLJ-RYUDHWBXSA-N -1 1 388.476 1.415 20 0 GDADMM C[C@H](NC(=O)C(C)(C)C1CCOCC1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575251063 949127687 /nfs/dbraw/zinc/12/76/87/949127687.db2.gz KQGZGJBSGGFDLJ-RYUDHWBXSA-N -1 1 388.476 1.415 20 0 GDADMM C[C@@H](NC(=O)C1(c2ccccn2)CC1)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575251382 949137995 /nfs/dbraw/zinc/13/79/95/949137995.db2.gz BFKVVRLXRKOZGO-VXGBXAGGSA-N -1 1 379.428 1.089 20 0 GDADMM C[C@@H](NC(=O)C1(c2ccccn2)CC1)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575251382 949137982 /nfs/dbraw/zinc/13/79/82/949137982.db2.gz BFKVVRLXRKOZGO-VXGBXAGGSA-N -1 1 379.428 1.089 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCCCC1 ZINC001574094628 949141724 /nfs/dbraw/zinc/14/17/24/949141724.db2.gz YZPGAIHNJRJYQX-UONOGXRCSA-N -1 1 384.488 1.602 20 0 GDADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H](C)NC(=O)C(C)(C)c1ccccc1 ZINC001575252221 949156428 /nfs/dbraw/zinc/15/64/28/949156428.db2.gz PMIYTDHLTJYYKJ-OLZOCXBDSA-N -1 1 380.456 1.940 20 0 GDADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)C(C)(C)c1ccccc1 ZINC001575252221 949156444 /nfs/dbraw/zinc/15/64/44/949156444.db2.gz PMIYTDHLTJYYKJ-OLZOCXBDSA-N -1 1 380.456 1.940 20 0 GDADMM CC(C)c1ocnc1C(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001574447310 949158185 /nfs/dbraw/zinc/15/81/85/949158185.db2.gz KLDPZPBKLWSJHC-NSHDSACASA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1ocnc1C(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001574447310 949158197 /nfs/dbraw/zinc/15/81/97/949158197.db2.gz KLDPZPBKLWSJHC-NSHDSACASA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cccnc1 ZINC001573787038 949163713 /nfs/dbraw/zinc/16/37/13/949163713.db2.gz KHHDLZRWKRNHRF-BETUJISGSA-N -1 1 379.428 1.089 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cccnc1 ZINC001573787038 949163724 /nfs/dbraw/zinc/16/37/24/949163724.db2.gz KHHDLZRWKRNHRF-BETUJISGSA-N -1 1 379.428 1.089 20 0 GDADMM C[C@@H](NC(=O)C1(C2CC2)CC1)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575252859 949175404 /nfs/dbraw/zinc/17/54/04/949175404.db2.gz IEDKJAALMNNMJU-OLZOCXBDSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](NC(=O)C1(C2CC2)CC1)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575252859 949175414 /nfs/dbraw/zinc/17/54/14/949175414.db2.gz IEDKJAALMNNMJU-OLZOCXBDSA-N -1 1 382.472 1.568 20 0 GDADMM CC(C)c1oncc1C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574448316 949183693 /nfs/dbraw/zinc/18/36/93/949183693.db2.gz IFDUDWGMPRCLRN-LLVKDONJSA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1oncc1C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574448316 949183707 /nfs/dbraw/zinc/18/37/07/949183707.db2.gz IFDUDWGMPRCLRN-LLVKDONJSA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001573787586 949183899 /nfs/dbraw/zinc/18/38/99/949183899.db2.gz YDHLVTAVFCUPEE-CTYIDZIISA-N -1 1 392.467 1.941 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001573787586 949183916 /nfs/dbraw/zinc/18/39/16/949183916.db2.gz YDHLVTAVFCUPEE-CTYIDZIISA-N -1 1 392.467 1.941 20 0 GDADMM C[C@H](NC(=O)C1(CCF)CC1)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575254359 949201394 /nfs/dbraw/zinc/20/13/94/949201394.db2.gz MWNIROKKVXHIKS-QWHCGFSZSA-N -1 1 388.451 1.518 20 0 GDADMM C[C@H](NC(=O)C1(CCF)CC1)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575254359 949201411 /nfs/dbraw/zinc/20/14/11/949201411.db2.gz MWNIROKKVXHIKS-QWHCGFSZSA-N -1 1 388.451 1.518 20 0 GDADMM CC(C)c1oncc1C(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574449955 949206985 /nfs/dbraw/zinc/20/69/85/949206985.db2.gz XNYKKKIXBLFNHW-UHFFFAOYSA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1oncc1C(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574449955 949207004 /nfs/dbraw/zinc/20/70/04/949207004.db2.gz XNYKKKIXBLFNHW-UHFFFAOYSA-N -1 1 383.416 1.485 20 0 GDADMM CC1(Nc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)Cc2ccsc2)CC1 ZINC001575853252 949207901 /nfs/dbraw/zinc/20/79/01/949207901.db2.gz NZZFXXYGZDEKGJ-UHFFFAOYSA-N -1 1 384.469 1.754 20 0 GDADMM CC1(Nc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)Cc2ccsc2)CC1 ZINC001575853252 949207928 /nfs/dbraw/zinc/20/79/28/949207928.db2.gz NZZFXXYGZDEKGJ-UHFFFAOYSA-N -1 1 384.469 1.754 20 0 GDADMM CC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)c2cccc(F)c2)CC1 ZINC001575853592 949219458 /nfs/dbraw/zinc/21/94/58/949219458.db2.gz UPYNCVLNIKRRAK-UHFFFAOYSA-N -1 1 382.403 1.903 20 0 GDADMM CC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)c2cccc(F)c2)CC1 ZINC001575853592 949219480 /nfs/dbraw/zinc/21/94/80/949219480.db2.gz UPYNCVLNIKRRAK-UHFFFAOYSA-N -1 1 382.403 1.903 20 0 GDADMM CC(C)c1scnc1C(=O)NC[C@H](C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574451225 949219750 /nfs/dbraw/zinc/21/97/50/949219750.db2.gz HNKPPBUVPXILEG-JTQLQIEISA-N -1 1 387.473 1.491 20 0 GDADMM CC(C)c1scnc1C(=O)NC[C@H](C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574451225 949219772 /nfs/dbraw/zinc/21/97/72/949219772.db2.gz HNKPPBUVPXILEG-JTQLQIEISA-N -1 1 387.473 1.491 20 0 GDADMM CC(C)(C)C(=O)N1CCC(N(CC2CC2)c2nccnc2-c2nnn[n-]2)CC1 ZINC001573791496 949222021 /nfs/dbraw/zinc/22/20/21/949222021.db2.gz ASZSJBYCPZMQIZ-UHFFFAOYSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)(C)C(=O)N1CCC(N(CC2CC2)c2nccnc2-c2nn[n-]n2)CC1 ZINC001573791496 949222039 /nfs/dbraw/zinc/22/20/39/949222039.db2.gz ASZSJBYCPZMQIZ-UHFFFAOYSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)c1scnc1C(=O)N(C)[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574451341 949225954 /nfs/dbraw/zinc/22/59/54/949225954.db2.gz MZRIYRSHOUBEFD-JTQLQIEISA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)c1scnc1C(=O)N(C)[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574451341 949225977 /nfs/dbraw/zinc/22/59/77/949225977.db2.gz MZRIYRSHOUBEFD-JTQLQIEISA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(c2nccnc2-c2nnn[n-]2)C1 ZINC001574103131 949227782 /nfs/dbraw/zinc/22/77/82/949227782.db2.gz LGJBKMOSZDQUNZ-AJNGGQMLSA-N -1 1 382.472 1.376 20 0 GDADMM CC(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(c2nccnc2-c2nn[n-]n2)C1 ZINC001574103131 949227806 /nfs/dbraw/zinc/22/78/06/949227806.db2.gz LGJBKMOSZDQUNZ-AJNGGQMLSA-N -1 1 382.472 1.376 20 0 GDADMM C[C@@H]1CCC[C@]1(C)C(=O)NCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576152051 949244098 /nfs/dbraw/zinc/24/40/98/949244098.db2.gz IDYQDEIJKBGAGB-YJYMSZOUSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H]1CCC[C@]1(C)C(=O)NCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576152051 949244118 /nfs/dbraw/zinc/24/41/18/949244118.db2.gz IDYQDEIJKBGAGB-YJYMSZOUSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C)C(=O)N1CCC[C@H]([C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001573792618 949253513 /nfs/dbraw/zinc/25/35/13/949253513.db2.gz RRKNRMPWZVDWJO-UONOGXRCSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)(C)C(=O)N1CCC[C@H]([C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001573792618 949253530 /nfs/dbraw/zinc/25/35/30/949253530.db2.gz RRKNRMPWZVDWJO-UONOGXRCSA-N -1 1 384.488 1.768 20 0 GDADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001575857411 949264190 /nfs/dbraw/zinc/26/41/90/949264190.db2.gz QJGDICDAXBQPMT-MGPQQGTHSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001575857411 949264210 /nfs/dbraw/zinc/26/42/10/949264210.db2.gz QJGDICDAXBQPMT-MGPQQGTHSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(C2CC2)c1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574940735 949272050 /nfs/dbraw/zinc/27/20/50/949272050.db2.gz JLDZMWKLXSHMTM-CYBMUJFWSA-N -1 1 392.467 1.718 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(C2CC2)c1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574940735 949272071 /nfs/dbraw/zinc/27/20/71/949272071.db2.gz JLDZMWKLXSHMTM-CYBMUJFWSA-N -1 1 392.467 1.718 20 0 GDADMM C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(Cc2ccc(-c3nnn[n-]3)o2)C1=O ZINC001575857801 949279156 /nfs/dbraw/zinc/27/91/56/949279156.db2.gz VVRJXCGPGPJBCY-SFHVURJKSA-N -1 1 396.363 1.198 20 0 GDADMM C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(Cc2ccc(-c3nn[n-]n3)o2)C1=O ZINC001575857801 949279178 /nfs/dbraw/zinc/27/91/78/949279178.db2.gz VVRJXCGPGPJBCY-SFHVURJKSA-N -1 1 396.363 1.198 20 0 GDADMM CC1(c2nnc(C3CCOCC3)o2)CN(C(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001575859994 949280816 /nfs/dbraw/zinc/28/08/16/949280816.db2.gz AAXJXKDUPDEDMA-UHFFFAOYSA-N -1 1 385.384 1.150 20 0 GDADMM CC1(c2nnc(C3CCOCC3)o2)CN(C(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001575859994 949280832 /nfs/dbraw/zinc/28/08/32/949280832.db2.gz AAXJXKDUPDEDMA-UHFFFAOYSA-N -1 1 385.384 1.150 20 0 GDADMM CC(C)n1cc(C(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)s3)CC2)cn1 ZINC001574453195 949284818 /nfs/dbraw/zinc/28/48/18/949284818.db2.gz ZDGBIKPICSZRCM-UHFFFAOYSA-N -1 1 386.485 1.664 20 0 GDADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)C1CCC(F)(F)CC1 ZINC001575257783 949285167 /nfs/dbraw/zinc/28/51/67/949285167.db2.gz BSZCNZWQBLNDSB-ZJUUUORDSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)C1CCC(F)(F)CC1 ZINC001575257783 949285194 /nfs/dbraw/zinc/28/51/94/949285194.db2.gz BSZCNZWQBLNDSB-ZJUUUORDSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@H]1CCC[C@H](C(=O)N2C[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]3C2)C1 ZINC001576153363 949287173 /nfs/dbraw/zinc/28/71/73/949287173.db2.gz LZSKDQPGJSAQBK-ZQDZILKHSA-N -1 1 382.472 1.378 20 0 GDADMM CC(C)n1cc(C(=O)NC[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001574454974 949295077 /nfs/dbraw/zinc/29/50/77/949295077.db2.gz JWFZJJLMIVQRMS-BJHJDKERSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cc(C(=O)NC[C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001574454974 949295097 /nfs/dbraw/zinc/29/50/97/949295097.db2.gz JWFZJJLMIVQRMS-BJHJDKERSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cnco1 ZINC001576153839 949299152 /nfs/dbraw/zinc/29/91/52/949299152.db2.gz BQNWYICZVCLSAG-APPDUMDISA-N -1 1 383.416 1.436 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cnco1 ZINC001576153839 949299166 /nfs/dbraw/zinc/29/91/66/949299166.db2.gz BQNWYICZVCLSAG-APPDUMDISA-N -1 1 383.416 1.436 20 0 GDADMM C[C@@H](Nc1nc(-c2nn[n-]n2)c(Cl)s1)[C@H](C)NC(=O)C1=COCCC1 ZINC001575258485 949302977 /nfs/dbraw/zinc/30/29/77/949302977.db2.gz IABMKBGYJZOSJV-JGVFFNPUSA-N -1 1 383.865 1.976 20 0 GDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](C)NC(=O)C1CC2(C1)CCOCC2 ZINC001575258622 949305322 /nfs/dbraw/zinc/30/53/22/949305322.db2.gz IZWIFXVDZMMAFR-NEPJUHHUSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](C)NC(=O)C1CC2(C1)CCOCC2 ZINC001575258622 949305342 /nfs/dbraw/zinc/30/53/42/949305342.db2.gz IZWIFXVDZMMAFR-NEPJUHHUSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@H](CN(C)C(=O)[C@]1(F)CCOC1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574703089 949306850 /nfs/dbraw/zinc/30/68/50/949306850.db2.gz QNFOACKAGSWKSP-UHLUBPPHSA-N -1 1 389.844 1.364 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cnco1 ZINC001576154185 949323325 /nfs/dbraw/zinc/32/33/25/949323325.db2.gz CIXZUVHLLVBBMA-DIFFPNOSSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cnco1 ZINC001576154185 949323340 /nfs/dbraw/zinc/32/33/40/949323340.db2.gz CIXZUVHLLVBBMA-DIFFPNOSSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc2c(c1)CCCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574942162 949338072 /nfs/dbraw/zinc/33/80/72/949338072.db2.gz WRBNZZANODXZMW-ZDUSSCGKSA-N -1 1 392.467 1.695 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc2c(c1)CCCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574942162 949338093 /nfs/dbraw/zinc/33/80/93/949338093.db2.gz WRBNZZANODXZMW-ZDUSSCGKSA-N -1 1 392.467 1.695 20 0 GDADMM CC(C)n1ccc(C(=O)NC2CC(CNc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001574458283 949342009 /nfs/dbraw/zinc/34/20/09/949342009.db2.gz RVLCFOQIGYPVBN-UHFFFAOYSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1ccc(C(=O)NC2CC(CNc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001574458283 949342034 /nfs/dbraw/zinc/34/20/34/949342034.db2.gz RVLCFOQIGYPVBN-UHFFFAOYSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@H](CNC(=O)Cc1cc[nH]n1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001574942219 949345207 /nfs/dbraw/zinc/34/52/07/949345207.db2.gz LEMBTMBQBKIKRC-SSDOTTSWSA-N -1 1 381.853 1.107 20 0 GDADMM C[C@H](CNC(=O)Cc1cc[nH]n1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001574942219 949345234 /nfs/dbraw/zinc/34/52/34/949345234.db2.gz LEMBTMBQBKIKRC-SSDOTTSWSA-N -1 1 381.853 1.107 20 0 GDADMM CC(C)(C)C(=O)NC1CCC(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001573798832 949359266 /nfs/dbraw/zinc/35/92/66/949359266.db2.gz HWAUTJHCIAVFRP-UHFFFAOYSA-N -1 1 385.472 1.599 20 0 GDADMM CC(C)(C)C(=O)NC1CCC(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001573798832 949359290 /nfs/dbraw/zinc/35/92/90/949359290.db2.gz HWAUTJHCIAVFRP-UHFFFAOYSA-N -1 1 385.472 1.599 20 0 GDADMM C[C@H](CNC(=O)Cc1ccon1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001574942708 949365096 /nfs/dbraw/zinc/36/50/96/949365096.db2.gz RLMZXRZHMOSZPG-SSDOTTSWSA-N -1 1 382.837 1.148 20 0 GDADMM C[C@H](CNC(=O)Cc1ccon1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001574942708 949365110 /nfs/dbraw/zinc/36/51/10/949365110.db2.gz RLMZXRZHMOSZPG-SSDOTTSWSA-N -1 1 382.837 1.148 20 0 GDADMM C[C@@H]1CCC[C@@H](C(=O)N2CCC(CNc3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001576154931 949371427 /nfs/dbraw/zinc/37/14/27/949371427.db2.gz RPWVGBMDZZZJQJ-UKRRQHHQSA-N -1 1 384.488 1.555 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2(C(C)(F)F)CC2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575866091 949391722 /nfs/dbraw/zinc/39/17/22/949391722.db2.gz CRCRLRQSNVWNPB-WDEREUQCSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2(C(C)(F)F)CC2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575866091 949391747 /nfs/dbraw/zinc/39/17/47/949391747.db2.gz CRCRLRQSNVWNPB-WDEREUQCSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@@H]1CCCC[C@@H]1C(=O)N(C)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001576155270 949394510 /nfs/dbraw/zinc/39/45/10/949394510.db2.gz HNKPZPUBCUQJRY-HIFRSBDPSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCCC[C@@H]1C(=O)N(C)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001576155270 949394532 /nfs/dbraw/zinc/39/45/32/949394532.db2.gz HNKPZPUBCUQJRY-HIFRSBDPSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C(C2CC2)C2CC2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575866129 949397137 /nfs/dbraw/zinc/39/71/37/949397137.db2.gz DDPQHCHLWVUGEV-FZMZJTMJSA-N -1 1 382.472 1.566 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C(C2CC2)C2CC2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575866129 949397156 /nfs/dbraw/zinc/39/71/56/949397156.db2.gz DDPQHCHLWVUGEV-FZMZJTMJSA-N -1 1 382.472 1.566 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cocn1 ZINC001576155353 949401210 /nfs/dbraw/zinc/40/12/10/949401210.db2.gz ILJRZWQBWJYUSF-DIFFPNOSSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cocn1 ZINC001576155353 949401214 /nfs/dbraw/zinc/40/12/14/949401214.db2.gz ILJRZWQBWJYUSF-DIFFPNOSSA-N -1 1 383.416 1.436 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C ZINC001574464505 949410276 /nfs/dbraw/zinc/41/02/76/949410276.db2.gz JUWJELTVBNDMTJ-ZIAGYGMSSA-N -1 1 395.471 1.541 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C ZINC001574464505 949410292 /nfs/dbraw/zinc/41/02/92/949410292.db2.gz JUWJELTVBNDMTJ-ZIAGYGMSSA-N -1 1 395.471 1.541 20 0 GDADMM CC1=CC[C@](C)(C(=O)NC2CCN(c3nccnc3-c3nnn[n-]3)CC2)CC1 ZINC001575866462 949411825 /nfs/dbraw/zinc/41/18/25/949411825.db2.gz SUFYMIDGRSUEFJ-IBGZPJMESA-N -1 1 382.472 1.878 20 0 GDADMM CC1=CC[C@](C)(C(=O)NC2CCN(c3nccnc3-c3nn[n-]n3)CC2)CC1 ZINC001575866462 949411841 /nfs/dbraw/zinc/41/18/41/949411841.db2.gz SUFYMIDGRSUEFJ-IBGZPJMESA-N -1 1 382.472 1.878 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H]1C ZINC001574464521 949415912 /nfs/dbraw/zinc/41/59/12/949415912.db2.gz KEWNWTDNWXQJLX-OLZOCXBDSA-N -1 1 381.444 1.436 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H]1C ZINC001574464521 949415926 /nfs/dbraw/zinc/41/59/26/949415926.db2.gz KEWNWTDNWXQJLX-OLZOCXBDSA-N -1 1 381.444 1.436 20 0 GDADMM C[C@@H]1C(=O)Nc2ccccc2CN1C(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001575867104 949430044 /nfs/dbraw/zinc/43/00/44/949430044.db2.gz XSXZKRSNOGLKCT-SECBINFHSA-N -1 1 383.799 1.898 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C(C)(C)C2CCC2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575867425 949438504 /nfs/dbraw/zinc/43/85/04/949438504.db2.gz JTBIFHYGMVSSHB-JSGCOSHPSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C(C)(C)C2CCC2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575867425 949438513 /nfs/dbraw/zinc/43/85/13/949438513.db2.gz JTBIFHYGMVSSHB-JSGCOSHPSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H]1CCC[C@H](OCC(=O)N(C)CCN(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001576156469 949446981 /nfs/dbraw/zinc/44/69/81/949446981.db2.gz YQIVDJCJQIDICW-KBPBESRZSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@H]1CCC[C@H](OCC(=O)N(C)CCN(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001576156469 949446995 /nfs/dbraw/zinc/44/69/95/949446995.db2.gz YQIVDJCJQIDICW-KBPBESRZSA-N -1 1 388.476 1.147 20 0 GDADMM CC(C)n1ncc(C(=O)N(C)CCNc2cncc(-c3nnn[n-]3)n2)c1Cl ZINC001574468539 949463332 /nfs/dbraw/zinc/46/33/32/949463332.db2.gz PCHKINXOBQUNFM-UHFFFAOYSA-N -1 1 390.839 1.272 20 0 GDADMM CC(C)n1ncc(C(=O)N(C)CCNc2cncc(-c3nn[n-]n3)n2)c1Cl ZINC001574468539 949463356 /nfs/dbraw/zinc/46/33/56/949463356.db2.gz PCHKINXOBQUNFM-UHFFFAOYSA-N -1 1 390.839 1.272 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2(C(F)F)CC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575869900 949481772 /nfs/dbraw/zinc/48/17/72/949481772.db2.gz SNSZZQZHUXCYGO-UWVGGRQHSA-N -1 1 378.387 1.176 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2(C(F)F)CC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575869900 949481784 /nfs/dbraw/zinc/48/17/84/949481784.db2.gz SNSZZQZHUXCYGO-UWVGGRQHSA-N -1 1 378.387 1.176 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccc[nH]1 ZINC001576158443 949495968 /nfs/dbraw/zinc/49/59/68/949495968.db2.gz SUHRRQCOSDMDJZ-KZULUSFZSA-N -1 1 381.444 1.776 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccc[nH]1 ZINC001576158443 949495977 /nfs/dbraw/zinc/49/59/77/949495977.db2.gz SUHRRQCOSDMDJZ-KZULUSFZSA-N -1 1 381.444 1.776 20 0 GDADMM CC(C)CC(=O)NC[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)CCO1 ZINC001574120850 949509643 /nfs/dbraw/zinc/50/96/43/949509643.db2.gz NGZSOBZCWRYIHP-SECBINFHSA-N -1 1 385.881 1.344 20 0 GDADMM CC(C)CC(=O)NC[C@@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)CCO1 ZINC001574120850 949509652 /nfs/dbraw/zinc/50/96/52/949509652.db2.gz NGZSOBZCWRYIHP-SECBINFHSA-N -1 1 385.881 1.344 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cnco1 ZINC001576159063 949512445 /nfs/dbraw/zinc/51/24/45/949512445.db2.gz WCMRJNXBMQMENU-APPDUMDISA-N -1 1 383.416 1.436 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cnco1 ZINC001576159063 949512464 /nfs/dbraw/zinc/51/24/64/949512464.db2.gz WCMRJNXBMQMENU-APPDUMDISA-N -1 1 383.416 1.436 20 0 GDADMM C[C@H]1CCCC[C@@H]1C(=O)N(C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576159026 949512963 /nfs/dbraw/zinc/51/29/63/949512963.db2.gz VWOXWFHLFXTYFJ-ZFWWWQNUSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CCCC[C@@H]1C(=O)N(C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576159026 949512984 /nfs/dbraw/zinc/51/29/84/949512984.db2.gz VWOXWFHLFXTYFJ-ZFWWWQNUSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCC[C@@H]1CC(=O)NCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576159482 949523207 /nfs/dbraw/zinc/52/32/07/949523207.db2.gz XLRDPLJGGRXDBF-UKRRQHHQSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H]1CCC[C@@H]1CC(=O)NCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576159482 949523223 /nfs/dbraw/zinc/52/32/23/949523223.db2.gz XLRDPLJGGRXDBF-UKRRQHHQSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H]1CCCC[C@@H]1OCC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576163437 949534911 /nfs/dbraw/zinc/53/49/11/949534911.db2.gz BEVPWBVTDSKCEN-JSGCOSHPSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H]1CCCC[C@@H]1OCC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576163437 949534931 /nfs/dbraw/zinc/53/49/31/949534931.db2.gz BEVPWBVTDSKCEN-JSGCOSHPSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H]1CCCC[C@@H]1OCC(=O)N(C)CCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001576163950 949544196 /nfs/dbraw/zinc/54/41/96/949544196.db2.gz DKQYHXMEYHZSEO-KGLIPLIRSA-N -1 1 388.476 1.147 20 0 GDADMM CC(C)CC(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574124064 949559268 /nfs/dbraw/zinc/55/92/68/949559268.db2.gz AGYBOOLMNRJXFR-RHSMWYFYSA-N -1 1 378.440 1.319 20 0 GDADMM C[C@@]1(C(=O)N2CCC[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)CCCOC1 ZINC001575540272 949567904 /nfs/dbraw/zinc/56/79/04/949567904.db2.gz WHJDJGYXLUFCQQ-SCLBCKFNSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@@]1(C(=O)N2CCC[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)CCCOC1 ZINC001575540272 949567922 /nfs/dbraw/zinc/56/79/22/949567922.db2.gz WHJDJGYXLUFCQQ-SCLBCKFNSA-N -1 1 386.460 1.124 20 0 GDADMM CC1(C(=O)N2CCC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)CCCCC1 ZINC001575540282 949569764 /nfs/dbraw/zinc/56/97/64/949569764.db2.gz WLOAUVUVDALDPZ-CQSZACIVSA-N -1 1 384.488 1.700 20 0 GDADMM C[C@H](NC(=O)CC1(O)CCC1)[C@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575270302 949582943 /nfs/dbraw/zinc/58/29/43/949582943.db2.gz ZEMXZUNRFVDTPX-YUMQZZPRSA-N -1 1 385.881 1.587 20 0 GDADMM CC1(C(=O)N2CCCN(c3cnc(-c4nnn[n-]4)cn3)CC2)CC(F)(F)C1 ZINC001575544930 949591776 /nfs/dbraw/zinc/59/17/76/949591776.db2.gz HRWCDUZCKCTNIF-UHFFFAOYSA-N -1 1 378.387 1.131 20 0 GDADMM CC1(C(=O)N2CCCN(c3cnc(-c4nn[n-]n4)cn3)CC2)CC(F)(F)C1 ZINC001575544930 949591791 /nfs/dbraw/zinc/59/17/91/949591791.db2.gz HRWCDUZCKCTNIF-UHFFFAOYSA-N -1 1 378.387 1.131 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1CCc2ccccc2C1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574713148 949598298 /nfs/dbraw/zinc/59/82/98/949598298.db2.gz WBDHPGLWHKGILB-BBRMVZONSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1CCc2ccccc2C1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574713148 949598311 /nfs/dbraw/zinc/59/83/11/949598311.db2.gz WBDHPGLWHKGILB-BBRMVZONSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2=COCCC2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576167081 949598862 /nfs/dbraw/zinc/59/88/62/949598862.db2.gz OONRFZMRUDNJQU-IUODEOHRSA-N -1 1 384.444 1.390 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2=COCCC2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576167081 949598877 /nfs/dbraw/zinc/59/88/77/949598877.db2.gz OONRFZMRUDNJQU-IUODEOHRSA-N -1 1 384.444 1.390 20 0 GDADMM C[C@H]1CCCN(C(=O)CC(C)(C)O)[C@@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576167546 949610436 /nfs/dbraw/zinc/61/04/36/949610436.db2.gz QIBTXYZZIJDSHJ-GXTWGEPZSA-N -1 1 388.476 1.247 20 0 GDADMM C[C@H]1CCCN(C(=O)CC(C)(C)O)[C@@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576167546 949610453 /nfs/dbraw/zinc/61/04/53/949610453.db2.gz QIBTXYZZIJDSHJ-GXTWGEPZSA-N -1 1 388.476 1.247 20 0 GDADMM C[C@@]1(C(=O)N2CCCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)CCCOC1 ZINC001575546509 949614447 /nfs/dbraw/zinc/61/44/47/949614447.db2.gz QRVVDTQOZNPZOA-FZKQIMNGSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@@]1(C(=O)N2CCCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)CCCOC1 ZINC001575546509 949614458 /nfs/dbraw/zinc/61/44/58/949614458.db2.gz QRVVDTQOZNPZOA-FZKQIMNGSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@H](CC(=O)N(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001574476774 949619895 /nfs/dbraw/zinc/61/98/95/949619895.db2.gz JUVCFHCISGZJEU-KGLIPLIRSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@H](CC(=O)N(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001574476774 949619905 /nfs/dbraw/zinc/61/99/05/949619905.db2.gz JUVCFHCISGZJEU-KGLIPLIRSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@]1(C(=O)N2CCCCC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CCOC1 ZINC001575547264 949620565 /nfs/dbraw/zinc/62/05/65/949620565.db2.gz WMHCJZGLRWFJMN-SCLBCKFNSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@@]1(C(=O)N2CCCCC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CCOC1 ZINC001575547264 949620574 /nfs/dbraw/zinc/62/05/74/949620574.db2.gz WMHCJZGLRWFJMN-SCLBCKFNSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@@H](C)c1ccncc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574714093 949623671 /nfs/dbraw/zinc/62/36/71/949623671.db2.gz BYDXQSCBXIIXOR-CHWSQXEVSA-N -1 1 381.444 1.504 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@@H](C)c1ccncc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574714093 949623683 /nfs/dbraw/zinc/62/36/83/949623683.db2.gz BYDXQSCBXIIXOR-CHWSQXEVSA-N -1 1 381.444 1.504 20 0 GDADMM C[C@@H](CC(=O)N(C)CCCN(C)c1ccnc(-c2nn[n-]n2)n1)n1cccc1 ZINC001574476913 949628628 /nfs/dbraw/zinc/62/86/28/949628628.db2.gz LVAXDNWMSXIAPO-AWEZNQCLSA-N -1 1 383.460 1.394 20 0 GDADMM C[C@H](CC(=O)N(C)CCN(C)c1ccnc(-c2nn[n-]n2)n1)c1ccncc1 ZINC001574477059 949632550 /nfs/dbraw/zinc/63/25/50/949632550.db2.gz OKOGONJGFJNFJT-CYBMUJFWSA-N -1 1 381.444 1.140 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)CNc1nccnc1-c1nnn[n-]1 ZINC001574957880 949635880 /nfs/dbraw/zinc/63/58/80/949635880.db2.gz BQHNXZYJHCGWKW-ZQGRQUNCSA-N -1 1 392.467 1.799 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)CNc1nccnc1-c1nn[n-]n1 ZINC001574957880 949635902 /nfs/dbraw/zinc/63/59/02/949635902.db2.gz BQHNXZYJHCGWKW-ZQGRQUNCSA-N -1 1 392.467 1.799 20 0 GDADMM C[C@@H](CC(=O)N(C)CCNc1nccnc1-c1nnn[n-]1)c1ccccc1F ZINC001574477092 949639794 /nfs/dbraw/zinc/63/97/94/949639794.db2.gz JOEBNCXDQRCTOT-LBPRGKRZSA-N -1 1 384.419 1.860 20 0 GDADMM C[C@@H](CC(=O)N(C)CCNc1nccnc1-c1nn[n-]n1)c1ccccc1F ZINC001574477092 949639800 /nfs/dbraw/zinc/63/98/00/949639800.db2.gz JOEBNCXDQRCTOT-LBPRGKRZSA-N -1 1 384.419 1.860 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CCc1ccco1 ZINC001573815170 949648208 /nfs/dbraw/zinc/64/82/08/949648208.db2.gz GVYZQQCYSLEECV-CYBMUJFWSA-N -1 1 384.444 1.247 20 0 GDADMM C[C@@H]1CCCC[C@H]1CC(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001576168839 949649276 /nfs/dbraw/zinc/64/92/76/949649276.db2.gz GZBMOXPWBAWMNR-MTVAPTMQSA-N -1 1 382.472 1.424 20 0 GDADMM C[C@@H]1CCCC[C@H]1CC(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001576168839 949649288 /nfs/dbraw/zinc/64/92/88/949649288.db2.gz GZBMOXPWBAWMNR-MTVAPTMQSA-N -1 1 382.472 1.424 20 0 GDADMM CC(C)CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1 ZINC001574131245 949653976 /nfs/dbraw/zinc/65/39/76/949653976.db2.gz CAWWOHUFSMIUJP-YUELXQCFSA-N -1 1 384.488 1.955 20 0 GDADMM CC(C)CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1 ZINC001574131245 949653982 /nfs/dbraw/zinc/65/39/82/949653982.db2.gz CAWWOHUFSMIUJP-YUELXQCFSA-N -1 1 384.488 1.955 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C23CCC(CC2)C3)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575876765 949654407 /nfs/dbraw/zinc/65/44/07/949654407.db2.gz YDPIOSVOSDHJLW-PNBPBRNGSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C23CCC(CC2)C3)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575876765 949654417 /nfs/dbraw/zinc/65/44/17/949654417.db2.gz YDPIOSVOSDHJLW-PNBPBRNGSA-N -1 1 382.472 1.711 20 0 GDADMM CC1(C(=O)N2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)CCC(F)(F)CC1 ZINC001575548119 949661233 /nfs/dbraw/zinc/66/12/33/949661233.db2.gz QKAXWZHENIUVQB-UHFFFAOYSA-N -1 1 392.414 1.521 20 0 GDADMM C[C@H]1CCCN(C(=O)COC(C)(C)C)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576169073 949663326 /nfs/dbraw/zinc/66/33/26/949663326.db2.gz DRSVHUHAYORLKQ-JSGCOSHPSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H]1CCCN(C(=O)COC(C)(C)C)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576169073 949663340 /nfs/dbraw/zinc/66/33/40/949663340.db2.gz DRSVHUHAYORLKQ-JSGCOSHPSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](NC(=O)CCCc1ccccn1)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575273619 949670428 /nfs/dbraw/zinc/67/04/28/949670428.db2.gz XOEPBKGQWQLTGF-CHWSQXEVSA-N -1 1 381.444 1.380 20 0 GDADMM C[C@@H](NC(=O)CCCc1ccccn1)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575273619 949670447 /nfs/dbraw/zinc/67/04/47/949670447.db2.gz XOEPBKGQWQLTGF-CHWSQXEVSA-N -1 1 381.444 1.380 20 0 GDADMM CC1(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nnn[n-]2)CCCCCC1 ZINC001575552251 949676995 /nfs/dbraw/zinc/67/69/95/949676995.db2.gz FYGHBIKUWPOWQJ-KBPBESRZSA-N -1 1 382.472 1.807 20 0 GDADMM CC1(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nn[n-]n2)CCCCCC1 ZINC001575552251 949677007 /nfs/dbraw/zinc/67/70/07/949677007.db2.gz FYGHBIKUWPOWQJ-KBPBESRZSA-N -1 1 382.472 1.807 20 0 GDADMM C[C@H](CNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574958590 949681218 /nfs/dbraw/zinc/68/12/18/949681218.db2.gz TWAIBWCMAXXICC-RCDCFZSISA-N -1 1 392.467 1.791 20 0 GDADMM C[C@H](CNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574958590 949681229 /nfs/dbraw/zinc/68/12/29/949681229.db2.gz TWAIBWCMAXXICC-RCDCFZSISA-N -1 1 392.467 1.791 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@H](C)c1ccccc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574716388 949693487 /nfs/dbraw/zinc/69/34/87/949693487.db2.gz NWUWOXONKBYHMS-KBPBESRZSA-N -1 1 380.456 1.531 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574958935 949695628 /nfs/dbraw/zinc/69/56/28/949695628.db2.gz OAPPIXGRVNRPKL-IAMHBRQHSA-N -1 1 392.467 1.575 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574958935 949695639 /nfs/dbraw/zinc/69/56/39/949695639.db2.gz OAPPIXGRVNRPKL-IAMHBRQHSA-N -1 1 392.467 1.575 20 0 GDADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCCC12CC2 ZINC001573817289 949699971 /nfs/dbraw/zinc/69/99/71/949699971.db2.gz ZETISFZLXPEKOG-OLZOCXBDSA-N -1 1 384.488 1.602 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001573817695 949702058 /nfs/dbraw/zinc/70/20/58/949702058.db2.gz AFFISCXXBIHRKM-MHDGFBEUSA-N -1 1 386.460 1.167 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001573817695 949702076 /nfs/dbraw/zinc/70/20/76/949702076.db2.gz AFFISCXXBIHRKM-MHDGFBEUSA-N -1 1 386.460 1.167 20 0 GDADMM CC1(C(=O)N2C[C@@H](C(F)(F)F)[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001575555316 949703269 /nfs/dbraw/zinc/70/32/69/949703269.db2.gz ZVANTPDADYEOKO-PSASIEDQSA-N -1 1 382.350 1.258 20 0 GDADMM CC1(C(=O)N2C[C@@H](C(F)(F)F)[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575555316 949703282 /nfs/dbraw/zinc/70/32/82/949703282.db2.gz ZVANTPDADYEOKO-PSASIEDQSA-N -1 1 382.350 1.258 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1(CCF)CC1 ZINC001573817349 949704394 /nfs/dbraw/zinc/70/43/94/949704394.db2.gz ZUZAYABSBPOEST-LLVKDONJSA-N -1 1 376.440 1.161 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001573817869 949709605 /nfs/dbraw/zinc/70/96/05/949709605.db2.gz CESRLTJNUCGYAJ-BFHYXJOUSA-N -1 1 384.488 1.458 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CC[C@@H]1CCOC1 ZINC001573818035 949715245 /nfs/dbraw/zinc/71/52/45/949715245.db2.gz FESAEZKOEZUPSP-OCCSQVGLSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CC[C@@H]1CCOC1 ZINC001573818035 949715267 /nfs/dbraw/zinc/71/52/67/949715267.db2.gz FESAEZKOEZUPSP-OCCSQVGLSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@H]1CCCN(C(=O)COC(C)(C)C)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576170653 949727798 /nfs/dbraw/zinc/72/77/98/949727798.db2.gz MOFKZSHNMLHEQN-JSGCOSHPSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H]1CCCN(C(=O)COC(C)(C)C)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576170653 949727815 /nfs/dbraw/zinc/72/78/15/949727815.db2.gz MOFKZSHNMLHEQN-JSGCOSHPSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CC(=O)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1)[C@@H]1CCCO1 ZINC001574479072 949728893 /nfs/dbraw/zinc/72/88/93/949728893.db2.gz CJYVJLZLJQISEO-WFASDCNBSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H](CC(=O)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1)[C@@H]1CCCO1 ZINC001574479072 949728905 /nfs/dbraw/zinc/72/89/05/949728905.db2.gz CJYVJLZLJQISEO-WFASDCNBSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@]1(C(=O)N[C@@H](CNc2nccnc2-c2nnn[n-]2)C2CCCC2)CCOC1 ZINC001575558415 949736518 /nfs/dbraw/zinc/73/65/18/949736518.db2.gz PEQBRDZUFCSFLH-SCLBCKFNSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@]1(C(=O)N[C@@H](CNc2nccnc2-c2nn[n-]n2)C2CCCC2)CCOC1 ZINC001575558415 949736535 /nfs/dbraw/zinc/73/65/35/949736535.db2.gz PEQBRDZUFCSFLH-SCLBCKFNSA-N -1 1 386.460 1.170 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[C@@H]1CCCOC1 ZINC001573818526 949736649 /nfs/dbraw/zinc/73/66/49/949736649.db2.gz NCNMAVWTZGWZRP-JSGCOSHPSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[C@@H]1CCCOC1 ZINC001573818526 949736659 /nfs/dbraw/zinc/73/66/59/949736659.db2.gz NCNMAVWTZGWZRP-JSGCOSHPSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)Cc2cccs2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575882035 949747246 /nfs/dbraw/zinc/74/72/46/949747246.db2.gz FRMWKBVFPAZEOY-YPMHNXCESA-N -1 1 384.469 1.434 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001574480856 949760062 /nfs/dbraw/zinc/76/00/62/949760062.db2.gz KRXRJGHUZXUAHD-UONOGXRCSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001574480856 949760076 /nfs/dbraw/zinc/76/00/76/949760076.db2.gz KRXRJGHUZXUAHD-UONOGXRCSA-N -1 1 381.444 1.370 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001574138081 949782397 /nfs/dbraw/zinc/78/23/97/949782397.db2.gz ZWKGFTQWXNVYQK-KFWWJZLASA-N -1 1 384.488 1.909 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001574138081 949782419 /nfs/dbraw/zinc/78/24/19/949782419.db2.gz ZWKGFTQWXNVYQK-KFWWJZLASA-N -1 1 384.488 1.909 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001574138123 949783441 /nfs/dbraw/zinc/78/34/41/949783441.db2.gz AYBKKQGEJUUHTI-RBSFLKMASA-N -1 1 386.504 1.918 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001574138123 949783456 /nfs/dbraw/zinc/78/34/56/949783456.db2.gz AYBKKQGEJUUHTI-RBSFLKMASA-N -1 1 386.504 1.918 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)Cc1cccnc1 ZINC001573822172 949784053 /nfs/dbraw/zinc/78/40/53/949784053.db2.gz GDMCRFKVCCXBRS-ZDUSSCGKSA-N -1 1 381.444 1.237 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)Cc1cccnc1 ZINC001573822172 949784063 /nfs/dbraw/zinc/78/40/63/949784063.db2.gz GDMCRFKVCCXBRS-ZDUSSCGKSA-N -1 1 381.444 1.237 20 0 GDADMM C[C@H](CN(C)C(=O)CCCc1ccccn1)Nc1nccnc1-c1nnn[n-]1 ZINC001574720488 949792175 /nfs/dbraw/zinc/79/21/75/949792175.db2.gz ANSSBBFJIWFYDS-CYBMUJFWSA-N -1 1 381.444 1.333 20 0 GDADMM C[C@H](CN(C)C(=O)CCCc1ccccn1)Nc1nccnc1-c1nn[n-]n1 ZINC001574720488 949792197 /nfs/dbraw/zinc/79/21/97/949792197.db2.gz ANSSBBFJIWFYDS-CYBMUJFWSA-N -1 1 381.444 1.333 20 0 GDADMM C[C@H](CN(C)C(=O)CCCc1ccsc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574720584 949793846 /nfs/dbraw/zinc/79/38/46/949793846.db2.gz DDBJVLLFCBKLGU-GFCCVEGCSA-N -1 1 386.485 2.000 20 0 GDADMM C[C@H](CN(C)C(=O)CCCc1ccsc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574720584 949793858 /nfs/dbraw/zinc/79/38/58/949793858.db2.gz DDBJVLLFCBKLGU-GFCCVEGCSA-N -1 1 386.485 2.000 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@](C)(O)C1CC1 ZINC001573822552 949796176 /nfs/dbraw/zinc/79/61/76/949796176.db2.gz JMNKXTFQDAZASU-XIKOKIGWSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@](C)(O)C1CC1 ZINC001573822552 949796187 /nfs/dbraw/zinc/79/61/87/949796187.db2.gz JMNKXTFQDAZASU-XIKOKIGWSA-N -1 1 388.476 1.151 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccncc1 ZINC001574481746 949796842 /nfs/dbraw/zinc/79/68/42/949796842.db2.gz URDMRZGYCSOZDF-OCCSQVGLSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccncc1 ZINC001574481746 949796863 /nfs/dbraw/zinc/79/68/63/949796863.db2.gz URDMRZGYCSOZDF-OCCSQVGLSA-N -1 1 379.428 1.258 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccncc1F ZINC001573822562 949798697 /nfs/dbraw/zinc/79/86/97/949798697.db2.gz JRYSQHAHSBEENG-LBPRGKRZSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccncc1F ZINC001573822562 949798704 /nfs/dbraw/zinc/79/87/04/949798704.db2.gz JRYSQHAHSBEENG-LBPRGKRZSA-N -1 1 385.407 1.447 20 0 GDADMM C[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574965715 949813793 /nfs/dbraw/zinc/81/37/93/949813793.db2.gz KAVXWJRAFUFRBO-YUELXQCFSA-N -1 1 378.440 1.401 20 0 GDADMM C[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574965715 949813814 /nfs/dbraw/zinc/81/38/14/949813814.db2.gz KAVXWJRAFUFRBO-YUELXQCFSA-N -1 1 378.440 1.401 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001574482008 949815297 /nfs/dbraw/zinc/81/52/97/949815297.db2.gz YPAOTSONKPDJKJ-CHWSQXEVSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001574482008 949815310 /nfs/dbraw/zinc/81/53/10/949815310.db2.gz YPAOTSONKPDJKJ-CHWSQXEVSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@@H](CNC(=O)c1c(F)cc(F)cc1F)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574965987 949827034 /nfs/dbraw/zinc/82/70/34/949827034.db2.gz RAEMSSFTXLSEDM-QMMMGPOBSA-N -1 1 392.345 1.329 20 0 GDADMM C[C@@H](CNC(=O)c1c(F)cc(F)cc1F)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574965987 949827057 /nfs/dbraw/zinc/82/70/57/949827057.db2.gz RAEMSSFTXLSEDM-QMMMGPOBSA-N -1 1 392.345 1.329 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CCC(F)(F)F ZINC001573823804 949836369 /nfs/dbraw/zinc/83/63/69/949836369.db2.gz YVSNSMYQGPYZHI-VIFPVBQESA-N -1 1 386.382 1.942 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CCC(F)(F)F ZINC001573823804 949836387 /nfs/dbraw/zinc/83/63/87/949836387.db2.gz YVSNSMYQGPYZHI-VIFPVBQESA-N -1 1 386.382 1.942 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CCc1ccon1 ZINC001573823480 949836436 /nfs/dbraw/zinc/83/64/36/949836436.db2.gz XMFJOORBZUEPPS-GFCCVEGCSA-N -1 1 385.432 1.220 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CCc1ccon1 ZINC001573823480 949836465 /nfs/dbraw/zinc/83/64/65/949836465.db2.gz XMFJOORBZUEPPS-GFCCVEGCSA-N -1 1 385.432 1.220 20 0 GDADMM CC1(C(=O)N[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)CC(F)(F)C1 ZINC001575564017 949853221 /nfs/dbraw/zinc/85/32/21/949853221.db2.gz NPZCIJHVWJJGJT-JTQLQIEISA-N -1 1 378.387 1.177 20 0 GDADMM CC1(C(=O)N[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)CC(F)(F)C1 ZINC001575564017 949853237 /nfs/dbraw/zinc/85/32/37/949853237.db2.gz NPZCIJHVWJJGJT-JTQLQIEISA-N -1 1 378.387 1.177 20 0 GDADMM CC(C)(C)C1CC(C(=O)NC2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001573824612 949858126 /nfs/dbraw/zinc/85/81/26/949858126.db2.gz HOKGIHXGWBKGRS-UHFFFAOYSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)C1CC(C(=O)NC2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001573824612 949858143 /nfs/dbraw/zinc/85/81/43/949858143.db2.gz HOKGIHXGWBKGRS-UHFFFAOYSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573825247 949867640 /nfs/dbraw/zinc/86/76/40/949867640.db2.gz OEINGENAELDVQW-RNFRBKRXSA-N -1 1 389.869 1.256 20 0 GDADMM CC(C)(C)C12CC(C(=O)NCC3(Nc4nccnc4-c4nnn[n-]4)CC3)(C1)C2 ZINC001573825325 949876007 /nfs/dbraw/zinc/87/60/07/949876007.db2.gz RVGHKYWDLDDQHK-UHFFFAOYSA-N -1 1 382.472 1.934 20 0 GDADMM CC(C)(C)C12CC(C(=O)NCC3(Nc4nccnc4-c4nn[n-]n4)CC3)(C1)C2 ZINC001573825325 949876016 /nfs/dbraw/zinc/87/60/16/949876016.db2.gz RVGHKYWDLDDQHK-UHFFFAOYSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@]1(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CCc2ccccc21 ZINC001575568568 949893834 /nfs/dbraw/zinc/89/38/34/949893834.db2.gz ALOVXXDMTCSAOX-XOBRGWDASA-N -1 1 390.451 1.256 20 0 GDADMM CCCCn1nc(C)c(-c2cc(C(=O)N3CCO[C@H](C(=O)[O-])C3)n[nH]2)c1C ZINC001589666809 949896036 /nfs/dbraw/zinc/89/60/36/949896036.db2.gz AUBAZJPIVBASBY-HNNXBMFYSA-N -1 1 375.429 1.616 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2nccs2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576178791 949898798 /nfs/dbraw/zinc/89/87/98/949898798.db2.gz IVWVRBFKMIXVCD-GHMZBOCLSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2nccs2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576178791 949898816 /nfs/dbraw/zinc/89/88/16/949898816.db2.gz IVWVRBFKMIXVCD-GHMZBOCLSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001574484990 949913871 /nfs/dbraw/zinc/91/38/71/949913871.db2.gz TYVHCKCLTDTLNO-ZIAGYGMSSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001574484990 949913890 /nfs/dbraw/zinc/91/38/90/949913890.db2.gz TYVHCKCLTDTLNO-ZIAGYGMSSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@H](CC(=O)N1CCCC[C@@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001574484955 949914938 /nfs/dbraw/zinc/91/49/38/949914938.db2.gz SIHAATYMZFXGLK-UKRRQHHQSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001574144915 949918199 /nfs/dbraw/zinc/91/81/99/949918199.db2.gz QLDWENXXVWJQKX-ZIAGYGMSSA-N -1 1 388.476 1.193 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001574144915 949918219 /nfs/dbraw/zinc/91/82/19/949918219.db2.gz QLDWENXXVWJQKX-ZIAGYGMSSA-N -1 1 388.476 1.193 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccco1 ZINC001574485266 949918326 /nfs/dbraw/zinc/91/83/26/949918326.db2.gz VYZKZIHFONOSJN-QWHCGFSZSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574485266 949918343 /nfs/dbraw/zinc/91/83/43/949918343.db2.gz VYZKZIHFONOSJN-QWHCGFSZSA-N -1 1 382.428 1.846 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574145565 949928627 /nfs/dbraw/zinc/92/86/27/949928627.db2.gz UKYJRTCHSIJSBJ-IHRRRGAJSA-N -1 1 388.476 1.557 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574145565 949928647 /nfs/dbraw/zinc/92/86/47/949928647.db2.gz UKYJRTCHSIJSBJ-IHRRRGAJSA-N -1 1 388.476 1.557 20 0 GDADMM C[C@@H](NC(=O)CN(C)c1ccccc1)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575285258 949940883 /nfs/dbraw/zinc/94/08/83/949940883.db2.gz LYZIXGXODOJQMR-CHWSQXEVSA-N -1 1 381.444 1.098 20 0 GDADMM C[C@@H](NC(=O)CN(C)c1ccccc1)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575285258 949940908 /nfs/dbraw/zinc/94/09/08/949940908.db2.gz LYZIXGXODOJQMR-CHWSQXEVSA-N -1 1 381.444 1.098 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574146072 949942124 /nfs/dbraw/zinc/94/21/24/949942124.db2.gz WWMXGOLEVKJFQU-KGLIPLIRSA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574146072 949942145 /nfs/dbraw/zinc/94/21/45/949942145.db2.gz WWMXGOLEVKJFQU-KGLIPLIRSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CC(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)c1ccco1 ZINC001574488863 949952133 /nfs/dbraw/zinc/95/21/33/949952133.db2.gz GTLRSKVRQVISAQ-FZMZJTMJSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](CC(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)c1ccco1 ZINC001574488863 949952151 /nfs/dbraw/zinc/95/21/51/949952151.db2.gz GTLRSKVRQVISAQ-FZMZJTMJSA-N -1 1 382.428 1.750 20 0 GDADMM CC(C)(C)CC(=O)N1CCC[C@@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001573829960 949968266 /nfs/dbraw/zinc/96/82/66/949968266.db2.gz FRMSSMWADRFRQG-LJQANCHMSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)(C)CC(=O)N1CCC[C@@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001573829960 949968286 /nfs/dbraw/zinc/96/82/86/949968286.db2.gz FRMSSMWADRFRQG-LJQANCHMSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@H](CN(C)C(=O)COc1ccc(F)cc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574727555 949969355 /nfs/dbraw/zinc/96/93/55/949969355.db2.gz VGKCHOCTFHEZNX-LLVKDONJSA-N -1 1 386.391 1.134 20 0 GDADMM C[C@H](CN(C)C(=O)COc1ccc(F)cc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574727555 949969368 /nfs/dbraw/zinc/96/93/68/949969368.db2.gz VGKCHOCTFHEZNX-LLVKDONJSA-N -1 1 386.391 1.134 20 0 GDADMM C[C@@H](CC(=O)N[C@]1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001574490164 949978151 /nfs/dbraw/zinc/97/81/51/949978151.db2.gz NVIIZRRLFZGLNJ-LKFCYVNXSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](CC(=O)N[C@]1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001574490164 949978171 /nfs/dbraw/zinc/97/81/71/949978171.db2.gz NVIIZRRLFZGLNJ-LKFCYVNXSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(C)CC(=O)N[C@@H]1CC[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001573834136 950017189 /nfs/dbraw/zinc/01/71/89/950017189.db2.gz GRTVAYLXPHTSSR-MGPQQGTHSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)CC(=O)N[C@@H]1CC[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001573834136 950017210 /nfs/dbraw/zinc/01/72/10/950017210.db2.gz GRTVAYLXPHTSSR-MGPQQGTHSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ccc(F)cc1F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574728999 950018933 /nfs/dbraw/zinc/01/89/33/950018933.db2.gz MKFPGKWHPHKTEZ-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ccc(F)cc1F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574728999 950018955 /nfs/dbraw/zinc/01/89/55/950018955.db2.gz MKFPGKWHPHKTEZ-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM CC(C)(C)CC(=O)N[C@@H]1CC[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@@H]2C1 ZINC001573835119 950033282 /nfs/dbraw/zinc/03/32/82/950033282.db2.gz OWZPOKNEMCUEAH-HZSPNIEDSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)CC(=O)N[C@@H]1CC[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@H]2C1 ZINC001573835119 950033303 /nfs/dbraw/zinc/03/33/03/950033303.db2.gz OWZPOKNEMCUEAH-HZSPNIEDSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2cccc(F)c2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575891844 950033884 /nfs/dbraw/zinc/03/38/84/950033884.db2.gz OHWDKHSQEZQIHJ-SMDDNHRTSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2cccc(F)c2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575891844 950033907 /nfs/dbraw/zinc/03/39/07/950033907.db2.gz OHWDKHSQEZQIHJ-SMDDNHRTSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@@H]1CCN(C(=O)CCC2(C)CC2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576182024 950034513 /nfs/dbraw/zinc/03/45/13/950034513.db2.gz KMQRZMCZGIWOAX-ZIAGYGMSSA-N -1 1 384.488 1.555 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(C(F)F)CC2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576182300 950041922 /nfs/dbraw/zinc/04/19/22/950041922.db2.gz ZBOFZAVJGVUQGE-MNOVXSKESA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(C(F)F)CC2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576182300 950041940 /nfs/dbraw/zinc/04/19/40/950041940.db2.gz ZBOFZAVJGVUQGE-MNOVXSKESA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2)C1CC1 ZINC001574491938 950049167 /nfs/dbraw/zinc/04/91/67/950049167.db2.gz HDUAHAGJGGMCCV-OCCSQVGLSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2)C1CC1 ZINC001574491938 950049189 /nfs/dbraw/zinc/04/91/89/950049189.db2.gz HDUAHAGJGGMCCV-OCCSQVGLSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](CC(=O)NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1)CC(C)(C)C ZINC001574491967 950053136 /nfs/dbraw/zinc/05/31/36/950053136.db2.gz HWEVHTZSCGPWAA-IYXRBSQSSA-N -1 1 386.504 1.848 20 0 GDADMM C[C@H](CC(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001574492233 950073485 /nfs/dbraw/zinc/07/34/85/950073485.db2.gz LHOAWEWSZPJWCO-XNWIYYODSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](CC(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001574492233 950073508 /nfs/dbraw/zinc/07/35/08/950073508.db2.gz LHOAWEWSZPJWCO-XNWIYYODSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cccn2C)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576183425 950089157 /nfs/dbraw/zinc/08/91/57/950089157.db2.gz RRAVFQTURQRYSM-SWLSCSKDSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cccn2C)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576183425 950089177 /nfs/dbraw/zinc/08/91/77/950089177.db2.gz RRAVFQTURQRYSM-SWLSCSKDSA-N -1 1 381.444 1.348 20 0 GDADMM CC(C)(C)CC(C)(C)C(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573838426 950112251 /nfs/dbraw/zinc/11/22/51/950112251.db2.gz DAAXSWBJTBRPPN-ZDUSSCGKSA-N -1 1 386.504 1.944 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cccnc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574733497 950115336 /nfs/dbraw/zinc/11/53/36/950115336.db2.gz CUJQAUCTHHZPPR-FPMFFAJLSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cccnc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574733497 950115347 /nfs/dbraw/zinc/11/53/47/950115347.db2.gz CUJQAUCTHHZPPR-FPMFFAJLSA-N -1 1 379.428 1.114 20 0 GDADMM CCCc1nc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])co1 ZINC001589691628 950119981 /nfs/dbraw/zinc/11/99/81/950119981.db2.gz RQKQCIYROIVIHW-KCJUWKMLSA-N -1 1 377.319 1.363 20 0 GDADMM C[C@]1(C(=O)NC[C@H]2CCCCCN2c2cnc(-c3nnn[n-]3)cn2)C=CCC1 ZINC001575582809 950128029 /nfs/dbraw/zinc/12/80/29/950128029.db2.gz GYBTWKQJOLQXKL-KUHUBIRLSA-N -1 1 382.472 1.878 20 0 GDADMM C[C@]1(C(=O)NC[C@H]2CCCCCN2c2cnc(-c3nn[n-]n3)cn2)C=CCC1 ZINC001575582809 950128042 /nfs/dbraw/zinc/12/80/42/950128042.db2.gz GYBTWKQJOLQXKL-KUHUBIRLSA-N -1 1 382.472 1.878 20 0 GDADMM C[C@]1(C(=O)NC[C@@H]2CCCCCN2c2cnc(-c3nnn[n-]3)cn2)C=CCC1 ZINC001575582811 950129574 /nfs/dbraw/zinc/12/95/74/950129574.db2.gz GYBTWKQJOLQXKL-LIRRHRJNSA-N -1 1 382.472 1.878 20 0 GDADMM C[C@]1(C(=O)NC[C@@H]2CCCCCN2c2cnc(-c3nn[n-]n3)cn2)C=CCC1 ZINC001575582811 950129593 /nfs/dbraw/zinc/12/95/93/950129593.db2.gz GYBTWKQJOLQXKL-LIRRHRJNSA-N -1 1 382.472 1.878 20 0 GDADMM C[C@@]1(C(=O)NCC2(Nc3nc(Cl)c(-c4nnn[n-]4)s3)CC2)CCOC1 ZINC001575583154 950141406 /nfs/dbraw/zinc/14/14/06/950141406.db2.gz PGRYBZUPHQDEOS-CYBMUJFWSA-N -1 1 383.865 1.464 20 0 GDADMM C[C@@]1(C(=O)NCC2(Nc3nc(Cl)c(-c4nn[n-]n4)s3)CC2)CCOC1 ZINC001575583154 950141445 /nfs/dbraw/zinc/14/14/45/950141445.db2.gz PGRYBZUPHQDEOS-CYBMUJFWSA-N -1 1 383.865 1.464 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)N(C)C[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574734773 950141507 /nfs/dbraw/zinc/14/15/07/950141507.db2.gz QRJMVXGVZCXONK-KGLIPLIRSA-N -1 1 380.456 1.216 20 0 GDADMM CC(C)(C)CC(C)(C)C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001573842767 950156776 /nfs/dbraw/zinc/15/67/76/950156776.db2.gz KDOAEBMLVCYUBM-JYAVWHMHSA-N -1 1 384.488 1.670 20 0 GDADMM CC(C)(C)CC(C)(C)C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001573842767 950156785 /nfs/dbraw/zinc/15/67/85/950156785.db2.gz KDOAEBMLVCYUBM-JYAVWHMHSA-N -1 1 384.488 1.670 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)C1CCCCC1 ZINC001574494322 950162449 /nfs/dbraw/zinc/16/24/49/950162449.db2.gz KDYNNOJNBHCDSF-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)C1CCCCC1 ZINC001574494322 950162466 /nfs/dbraw/zinc/16/24/66/950162466.db2.gz KDYNNOJNBHCDSF-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1C=CC=CC=C1 ZINC001574154663 950173069 /nfs/dbraw/zinc/17/30/69/950173069.db2.gz FSTZWNDFLFOUFE-OAHLLOKOSA-N -1 1 380.456 1.320 20 0 GDADMM CC(C)(C)CC(C)(C)C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001573843443 950176669 /nfs/dbraw/zinc/17/66/69/950176669.db2.gz YDPYPTQIGOTFHZ-ITGUQSILSA-N -1 1 384.488 1.670 20 0 GDADMM CC(C)(C)CC(C)(C)C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001573843443 950176680 /nfs/dbraw/zinc/17/66/80/950176680.db2.gz YDPYPTQIGOTFHZ-ITGUQSILSA-N -1 1 384.488 1.670 20 0 GDADMM CC1(C(=O)NC[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)CCCCC1 ZINC001575585427 950193271 /nfs/dbraw/zinc/19/32/71/950193271.db2.gz YWALBTIUFGBFQS-AWEZNQCLSA-N -1 1 384.488 1.960 20 0 GDADMM CC1(C(=O)NC[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)CCCCC1 ZINC001575585427 950193281 /nfs/dbraw/zinc/19/32/81/950193281.db2.gz YWALBTIUFGBFQS-AWEZNQCLSA-N -1 1 384.488 1.960 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CC[C@@H]1CCCO1 ZINC001574155428 950193958 /nfs/dbraw/zinc/19/39/58/950193958.db2.gz KWPUWYXKSDHLFK-KBPBESRZSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CC[C@@H]1CCCO1 ZINC001574155428 950193972 /nfs/dbraw/zinc/19/39/72/950193972.db2.gz KWPUWYXKSDHLFK-KBPBESRZSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cc(Cl)c[nH]1 ZINC001574155666 950205534 /nfs/dbraw/zinc/20/55/34/950205534.db2.gz PXBHSGUTMGYIDD-LLVKDONJSA-N -1 1 389.851 1.895 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cc(Cl)c[nH]1 ZINC001574155666 950205551 /nfs/dbraw/zinc/20/55/51/950205551.db2.gz PXBHSGUTMGYIDD-LLVKDONJSA-N -1 1 389.851 1.895 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccccn2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576191738 950210364 /nfs/dbraw/zinc/21/03/64/950210364.db2.gz JPUHZJBVESUASC-OLZOCXBDSA-N -1 1 379.428 1.262 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccccn2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576191738 950210383 /nfs/dbraw/zinc/21/03/83/950210383.db2.gz JPUHZJBVESUASC-OLZOCXBDSA-N -1 1 379.428 1.262 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2sccc2F)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575900930 950211257 /nfs/dbraw/zinc/21/12/57/950211257.db2.gz JSSKIJDJNZFSQA-GXSJLCMTSA-N -1 1 388.432 1.645 20 0 GDADMM CC1(C(=O)NC[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CCCCCC1 ZINC001575586051 950212358 /nfs/dbraw/zinc/21/23/58/950212358.db2.gz GKRAOVXWLCMVIZ-AWEZNQCLSA-N -1 1 384.488 1.960 20 0 GDADMM CC1(C(=O)NC[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CCCCCC1 ZINC001575586051 950212373 /nfs/dbraw/zinc/21/23/73/950212373.db2.gz GKRAOVXWLCMVIZ-AWEZNQCLSA-N -1 1 384.488 1.960 20 0 GDADMM C[C@H]1CCN(C(=O)c2cccn2C)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576192022 950217244 /nfs/dbraw/zinc/21/72/44/950217244.db2.gz LBKRIBLAJDISLX-QWHCGFSZSA-N -1 1 381.444 1.206 20 0 GDADMM C[C@H]1CCN(C(=O)c2cccn2C)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576192022 950217262 /nfs/dbraw/zinc/21/72/62/950217262.db2.gz LBKRIBLAJDISLX-QWHCGFSZSA-N -1 1 381.444 1.206 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1)c1ccco1 ZINC001574497004 950219740 /nfs/dbraw/zinc/21/97/40/950219740.db2.gz YCIQSODHMYPQTD-WCQYABFASA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1)c1ccco1 ZINC001574497004 950219756 /nfs/dbraw/zinc/21/97/56/950219756.db2.gz YCIQSODHMYPQTD-WCQYABFASA-N -1 1 382.428 1.750 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)COC(C)(C)C ZINC001574156037 950222060 /nfs/dbraw/zinc/22/20/60/950222060.db2.gz UVXVOOFVFRKBLG-LBPRGKRZSA-N -1 1 376.465 1.415 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)COC(C)(C)C ZINC001574156037 950222074 /nfs/dbraw/zinc/22/20/74/950222074.db2.gz UVXVOOFVFRKBLG-LBPRGKRZSA-N -1 1 376.465 1.415 20 0 GDADMM CC1(C(=O)NC[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CC(F)(F)C1 ZINC001575587995 950239400 /nfs/dbraw/zinc/23/94/00/950239400.db2.gz OZXWBCLFZCPTAJ-SNVBAGLBSA-N -1 1 378.387 1.035 20 0 GDADMM CC1(C(=O)NC[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC(F)(F)C1 ZINC001575587995 950239412 /nfs/dbraw/zinc/23/94/12/950239412.db2.gz OZXWBCLFZCPTAJ-SNVBAGLBSA-N -1 1 378.387 1.035 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccncc1F ZINC001574157538 950242283 /nfs/dbraw/zinc/24/22/83/950242283.db2.gz CPCIJAHRDRCDQH-NSHDSACASA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccncc1F ZINC001574157538 950242309 /nfs/dbraw/zinc/24/23/09/950242309.db2.gz CPCIJAHRDRCDQH-NSHDSACASA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)Cc1cccs1 ZINC001574157638 950246755 /nfs/dbraw/zinc/24/67/55/950246755.db2.gz FSNGOBDEFCVWTR-LBPRGKRZSA-N -1 1 386.485 1.904 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)Cc1cccs1 ZINC001574157638 950246771 /nfs/dbraw/zinc/24/67/71/950246771.db2.gz FSNGOBDEFCVWTR-LBPRGKRZSA-N -1 1 386.485 1.904 20 0 GDADMM C[C@@H](CC(=O)NC[C@@]1(C)CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1CC1 ZINC001574498055 950257566 /nfs/dbraw/zinc/25/75/66/950257566.db2.gz JDFHECQMQMHICW-ORAYPTAESA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](CC(=O)NC[C@@]1(C)CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1CC1 ZINC001574498055 950257588 /nfs/dbraw/zinc/25/75/88/950257588.db2.gz JDFHECQMQMHICW-ORAYPTAESA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573847049 950257493 /nfs/dbraw/zinc/25/74/93/950257493.db2.gz YQCKXGSJMMZBPF-HZSPNIEDSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573847049 950257514 /nfs/dbraw/zinc/25/75/14/950257514.db2.gz YQCKXGSJMMZBPF-HZSPNIEDSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1C[C@@H]1c1ccccc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574742080 950265931 /nfs/dbraw/zinc/26/59/31/950265931.db2.gz LCHFQHOQROPRBQ-CFVMTHIKSA-N -1 1 378.440 1.141 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1)c1ccccc1 ZINC001574498901 950288389 /nfs/dbraw/zinc/28/83/89/950288389.db2.gz QYRIXPWHLOSRCW-CYBMUJFWSA-N -1 1 378.440 1.911 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1)c1ccccc1 ZINC001574498901 950288408 /nfs/dbraw/zinc/28/84/08/950288408.db2.gz QYRIXPWHLOSRCW-CYBMUJFWSA-N -1 1 378.440 1.911 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CC1CCOCC1 ZINC001574158731 950288897 /nfs/dbraw/zinc/28/88/97/950288897.db2.gz RIIKFZOGVWNRAH-AWEZNQCLSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CC1CCOCC1 ZINC001574158731 950288907 /nfs/dbraw/zinc/28/89/07/950288907.db2.gz RIIKFZOGVWNRAH-AWEZNQCLSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@H]1CCN(C(=O)c2nccs2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576193347 950298401 /nfs/dbraw/zinc/29/84/01/950298401.db2.gz TXOJBYDAKKMDMB-WDEREUQCSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H]1CCN(C(=O)c2nccs2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576193347 950298411 /nfs/dbraw/zinc/29/84/11/950298411.db2.gz TXOJBYDAKKMDMB-WDEREUQCSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccccc2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576193742 950313307 /nfs/dbraw/zinc/31/33/07/950313307.db2.gz WRLSXNPQMWNDHG-DZGCQCFKSA-N -1 1 378.440 1.867 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccccc2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576193742 950313327 /nfs/dbraw/zinc/31/33/27/950313327.db2.gz WRLSXNPQMWNDHG-DZGCQCFKSA-N -1 1 378.440 1.867 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C(C)(C)C(F)F ZINC001574159625 950313813 /nfs/dbraw/zinc/31/38/13/950313813.db2.gz WWMRLGDQDACODW-JTQLQIEISA-N -1 1 382.419 1.891 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C(C)(C)C(F)F ZINC001574159625 950313833 /nfs/dbraw/zinc/31/38/33/950313833.db2.gz WWMRLGDQDACODW-JTQLQIEISA-N -1 1 382.419 1.891 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001574501312 950332819 /nfs/dbraw/zinc/33/28/19/950332819.db2.gz CWKOEXBECNHGEP-ZJUUUORDSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001574501312 950332842 /nfs/dbraw/zinc/33/28/42/950332842.db2.gz CWKOEXBECNHGEP-ZJUUUORDSA-N -1 1 384.366 1.188 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@]2(C[C@H]2C(=O)Nc2n[nH]cc2-c2nnn[n-]2)C1 ZINC001573854298 950339812 /nfs/dbraw/zinc/33/98/12/950339812.db2.gz ZLRMCYDKKWJCAC-GTNSWQLSSA-N -1 1 388.432 1.566 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@]2(C[C@H]2C(=O)Nc2n[nH]cc2-c2nn[n-]n2)C1 ZINC001573854298 950339831 /nfs/dbraw/zinc/33/98/31/950339831.db2.gz ZLRMCYDKKWJCAC-GTNSWQLSSA-N -1 1 388.432 1.566 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@]2(C1)CN(c1cccc(-c3nnn[n-]3)n1)CCO2 ZINC001573854270 950340602 /nfs/dbraw/zinc/34/06/02/950340602.db2.gz YLBOGIDVMVHRMI-GOSISDBHSA-N -1 1 387.444 1.478 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@]2(C1)CN(c1cccc(-c3nn[n-]n3)n1)CCO2 ZINC001573854270 950340626 /nfs/dbraw/zinc/34/06/26/950340626.db2.gz YLBOGIDVMVHRMI-GOSISDBHSA-N -1 1 387.444 1.478 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001574502169 950366455 /nfs/dbraw/zinc/36/64/55/950366455.db2.gz JZKLLOQCNZKYTF-VHSXEESVSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001574502169 950366476 /nfs/dbraw/zinc/36/64/76/950366476.db2.gz JZKLLOQCNZKYTF-VHSXEESVSA-N -1 1 384.366 1.330 20 0 GDADMM CC1(C(=O)NCCC2(CNc3cnc(-c4nnn[n-]4)cn3)CC2)CCOCC1 ZINC001575596492 950377896 /nfs/dbraw/zinc/37/78/96/950377896.db2.gz SUULJYFFAOOBRX-UHFFFAOYSA-N -1 1 386.460 1.172 20 0 GDADMM CC1(C(=O)NCCC2(CNc3cnc(-c4nn[n-]n4)cn3)CC2)CCOCC1 ZINC001575596492 950377919 /nfs/dbraw/zinc/37/79/19/950377919.db2.gz SUULJYFFAOOBRX-UHFFFAOYSA-N -1 1 386.460 1.172 20 0 GDADMM C[C@]1(C(=O)NC[C@H]2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CCCOC1 ZINC001575596667 950381898 /nfs/dbraw/zinc/38/18/98/950381898.db2.gz HINTZQQFSQMQEU-JCGVRSQUSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@]1(C(=O)NC[C@H]2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CCCOC1 ZINC001575596667 950381915 /nfs/dbraw/zinc/38/19/15/950381915.db2.gz HINTZQQFSQMQEU-JCGVRSQUSA-N -1 1 386.460 1.170 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@](C)(O)C1CC1 ZINC001574162615 950389364 /nfs/dbraw/zinc/38/93/64/950389364.db2.gz FLQCMVUNSNUXQM-ACJLOTCBSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@](C)(O)C1CC1 ZINC001574162615 950389386 /nfs/dbraw/zinc/38/93/86/950389386.db2.gz FLQCMVUNSNUXQM-ACJLOTCBSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@](C)(O)C1CC1 ZINC001574162618 950390160 /nfs/dbraw/zinc/39/01/60/950390160.db2.gz FLQCMVUNSNUXQM-UGSOOPFHSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@](C)(O)C1CC1 ZINC001574162618 950390183 /nfs/dbraw/zinc/39/01/83/950390183.db2.gz FLQCMVUNSNUXQM-UGSOOPFHSA-N -1 1 388.476 1.151 20 0 GDADMM CCN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001589719040 950392973 /nfs/dbraw/zinc/39/29/73/950392973.db2.gz NLGYYCILXPLLSY-GOSISDBHSA-N -1 1 395.525 1.624 20 0 GDADMM CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001573857753 950412373 /nfs/dbraw/zinc/41/23/73/950412373.db2.gz ZPTRBYOGBKAFFM-GFCCVEGCSA-N -1 1 391.457 1.188 20 0 GDADMM CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001573857753 950412388 /nfs/dbraw/zinc/41/23/88/950412388.db2.gz ZPTRBYOGBKAFFM-GFCCVEGCSA-N -1 1 391.457 1.188 20 0 GDADMM CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1coc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001573860011 950412425 /nfs/dbraw/zinc/41/24/25/950412425.db2.gz AAGQIEXBLYXVJY-SECBINFHSA-N -1 1 390.322 1.645 20 0 GDADMM CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1coc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001573860011 950412441 /nfs/dbraw/zinc/41/24/41/950412441.db2.gz AAGQIEXBLYXVJY-SECBINFHSA-N -1 1 390.322 1.645 20 0 GDADMM CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001573857754 950414568 /nfs/dbraw/zinc/41/45/68/950414568.db2.gz ZPTRBYOGBKAFFM-LBPRGKRZSA-N -1 1 391.457 1.188 20 0 GDADMM CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001573857754 950414582 /nfs/dbraw/zinc/41/45/82/950414582.db2.gz ZPTRBYOGBKAFFM-LBPRGKRZSA-N -1 1 391.457 1.188 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001573860311 950417074 /nfs/dbraw/zinc/41/70/74/950417074.db2.gz FQIWXUUJKISOMC-CYBMUJFWSA-N -1 1 385.428 1.491 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001573860311 950417085 /nfs/dbraw/zinc/41/70/85/950417085.db2.gz FQIWXUUJKISOMC-CYBMUJFWSA-N -1 1 385.428 1.491 20 0 GDADMM CC1(C(=O)NCc2ccc(CCNc3ccnc(-c4nn[n-]n4)n3)cc2)CC1 ZINC001575599239 950427330 /nfs/dbraw/zinc/42/73/30/950427330.db2.gz IKAOVNKCXBHOJA-UHFFFAOYSA-N -1 1 378.440 1.150 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1cccnc1 ZINC001575910692 950429607 /nfs/dbraw/zinc/42/96/07/950429607.db2.gz AQUKTOHHVARUOZ-TZMCWYRMSA-N -1 1 379.428 1.086 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCc1cccnc1 ZINC001575910692 950429621 /nfs/dbraw/zinc/42/96/21/950429621.db2.gz AQUKTOHHVARUOZ-TZMCWYRMSA-N -1 1 379.428 1.086 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)[C@@H]1CCCO1 ZINC001574506463 950435931 /nfs/dbraw/zinc/43/59/31/950435931.db2.gz DXBKVYPIICIRKV-BHPKHCPMSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)[C@@H]1CCCO1 ZINC001574506463 950435955 /nfs/dbraw/zinc/43/59/55/950435955.db2.gz DXBKVYPIICIRKV-BHPKHCPMSA-N -1 1 386.460 1.169 20 0 GDADMM CC(C)(C)OC(=O)NCC1(NC(=O)c2coc(-c3nnn[n-]3)c2)CCOCC1 ZINC001573861267 950444817 /nfs/dbraw/zinc/44/48/17/950444817.db2.gz VXCUQUDSBHOWIJ-UHFFFAOYSA-N -1 1 392.416 1.263 20 0 GDADMM CC(C)(C)OC(=O)NCC1(NC(=O)c2coc(-c3nn[n-]n3)c2)CCOCC1 ZINC001573861267 950444832 /nfs/dbraw/zinc/44/48/32/950444832.db2.gz VXCUQUDSBHOWIJ-UHFFFAOYSA-N -1 1 392.416 1.263 20 0 GDADMM CC(C)CC1(C(=O)N[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C2CC2)CCC1 ZINC001574166356 950462002 /nfs/dbraw/zinc/46/20/02/950462002.db2.gz PCHHMFDRXSTHAD-CQSZACIVSA-N -1 1 384.488 1.602 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc(Cl)cn1C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574751468 950462091 /nfs/dbraw/zinc/46/20/91/950462091.db2.gz NXNBHCSOLCHALW-VIFPVBQESA-N -1 1 375.824 1.221 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc(Cl)cn1C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574751468 950462106 /nfs/dbraw/zinc/46/21/06/950462106.db2.gz NXNBHCSOLCHALW-VIFPVBQESA-N -1 1 375.824 1.221 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001574507947 950463918 /nfs/dbraw/zinc/46/39/18/950463918.db2.gz LDLQYIFULWQCSW-BBBLOLIVSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001574507947 950463936 /nfs/dbraw/zinc/46/39/36/950463936.db2.gz LDLQYIFULWQCSW-BBBLOLIVSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C[C@H](C)c1ccc(F)cc1 ZINC001574507945 950464216 /nfs/dbraw/zinc/46/42/16/950464216.db2.gz LCMFHTCDORLAMA-RYUDHWBXSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@H](C)c1ccc(F)cc1 ZINC001574507945 950464228 /nfs/dbraw/zinc/46/42/28/950464228.db2.gz LCMFHTCDORLAMA-RYUDHWBXSA-N -1 1 384.419 1.906 20 0 GDADMM CC(C)CC1(C(=O)NCCN(c2cncc(-c3nnn[n-]3)n2)C2CC2)CCC1 ZINC001574166704 950470511 /nfs/dbraw/zinc/47/05/11/950470511.db2.gz WCPCANKKJVNPOH-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CC1(C(=O)NCCN(c2cncc(-c3nn[n-]n3)n2)C2CC2)CCC1 ZINC001574166704 950470524 /nfs/dbraw/zinc/47/05/24/950470524.db2.gz WCPCANKKJVNPOH-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CC(=O)NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1)c1ccco1 ZINC001574508667 950481283 /nfs/dbraw/zinc/48/12/83/950481283.db2.gz LOJCKWSBMGQILE-GFCCVEGCSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](CC(=O)NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1)C(F)(F)F ZINC001574508653 950481663 /nfs/dbraw/zinc/48/16/63/950481663.db2.gz LDVRXKHXSVPPLE-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)CC1(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)[C@@H]2C)CCC1 ZINC001574168163 950508662 /nfs/dbraw/zinc/50/86/62/950508662.db2.gz QJFUERRWFGLPJU-KGLIPLIRSA-N -1 1 384.488 1.957 20 0 GDADMM CC(C)CC1(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)[C@@H]2C)CCC1 ZINC001574168163 950508677 /nfs/dbraw/zinc/50/86/77/950508677.db2.gz QJFUERRWFGLPJU-KGLIPLIRSA-N -1 1 384.488 1.957 20 0 GDADMM CC(C)(C)OCC(=O)N1CCC[C@H]2[C@@H]1CCN2c1nccnc1-c1nnn[n-]1 ZINC001573867045 950521388 /nfs/dbraw/zinc/52/13/88/950521388.db2.gz OWFWMRRBYNCHTA-STQMWFEESA-N -1 1 386.460 1.042 20 0 GDADMM CC(C)(C)OCC(=O)N1CCC[C@H]2[C@@H]1CCN2c1nccnc1-c1nn[n-]n1 ZINC001573867045 950521407 /nfs/dbraw/zinc/52/14/07/950521407.db2.gz OWFWMRRBYNCHTA-STQMWFEESA-N -1 1 386.460 1.042 20 0 GDADMM C[C@@]1(C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCc2ccccc21 ZINC001575609559 950524899 /nfs/dbraw/zinc/52/48/99/950524899.db2.gz YAOUEAPIBJTNLS-ARGWCVDVSA-N -1 1 390.451 1.042 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001574509855 950535737 /nfs/dbraw/zinc/53/57/37/950535737.db2.gz ZKZRDFLOMDIMNY-MELADBBJSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001574509855 950535764 /nfs/dbraw/zinc/53/57/64/950535764.db2.gz ZKZRDFLOMDIMNY-MELADBBJSA-N -1 1 381.444 1.416 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@H]1CCCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001573868628 950545714 /nfs/dbraw/zinc/54/57/14/950545714.db2.gz FLUMCJRDPQUIHX-CHWSQXEVSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@H]1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001573868628 950545730 /nfs/dbraw/zinc/54/57/30/950545730.db2.gz FLUMCJRDPQUIHX-CHWSQXEVSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)CNc1nccnc1-c1nnn[n-]1 ZINC001574997695 950547819 /nfs/dbraw/zinc/54/78/19/950547819.db2.gz WMFXQTKTAUKAMA-SNVBAGLBSA-N -1 1 384.448 1.155 20 0 GDADMM C[C@@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)CNc1nccnc1-c1nn[n-]n1 ZINC001574997695 950547835 /nfs/dbraw/zinc/54/78/35/950547835.db2.gz WMFXQTKTAUKAMA-SNVBAGLBSA-N -1 1 384.448 1.155 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cc(Cl)cn1C ZINC001575917010 950554706 /nfs/dbraw/zinc/55/47/06/950554706.db2.gz ULHJLCRYFJGLGL-MWLCHTKSSA-N -1 1 387.835 1.364 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cc(Cl)cn1C ZINC001575917010 950554721 /nfs/dbraw/zinc/55/47/21/950554721.db2.gz ULHJLCRYFJGLGL-MWLCHTKSSA-N -1 1 387.835 1.364 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCC1CCOCC1 ZINC001575917167 950560551 /nfs/dbraw/zinc/56/05/51/950560551.db2.gz UYGYGRHFCOWJDM-OCCSQVGLSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCC1CCOCC1 ZINC001575917167 950560569 /nfs/dbraw/zinc/56/05/69/950560569.db2.gz UYGYGRHFCOWJDM-OCCSQVGLSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc(C(F)F)o1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574754179 950563726 /nfs/dbraw/zinc/56/37/26/950563726.db2.gz ZGJFKYWQNXAQFP-QMMMGPOBSA-N -1 1 378.343 1.760 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc(C(F)F)o1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574754179 950563738 /nfs/dbraw/zinc/56/37/38/950563738.db2.gz ZGJFKYWQNXAQFP-QMMMGPOBSA-N -1 1 378.343 1.760 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C)C(F)(F)F ZINC001574511719 950570734 /nfs/dbraw/zinc/57/07/34/950570734.db2.gz RDPPHTUKGNZFPJ-WCABBAIRSA-N -1 1 384.366 1.186 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C)C(F)(F)F ZINC001574511719 950570762 /nfs/dbraw/zinc/57/07/62/950570762.db2.gz RDPPHTUKGNZFPJ-WCABBAIRSA-N -1 1 384.366 1.186 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C)n1cccc1 ZINC001574511872 950576852 /nfs/dbraw/zinc/57/68/52/950576852.db2.gz UHUCQNKPOXETFZ-UMVBOHGHSA-N -1 1 381.444 1.050 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C)n1cccc1 ZINC001574511872 950576865 /nfs/dbraw/zinc/57/68/65/950576865.db2.gz UHUCQNKPOXETFZ-UMVBOHGHSA-N -1 1 381.444 1.050 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1C)c1ccccc1 ZINC001574512725 950584475 /nfs/dbraw/zinc/58/44/75/950584475.db2.gz BBTAWBZQQHITQQ-FMKPAKJESA-N -1 1 392.467 1.934 20 0 GDADMM CC(C)(C)OCC(=O)NC[C@H]1CCCCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001573870196 950587668 /nfs/dbraw/zinc/58/76/68/950587668.db2.gz GJCQTDZVEANVJB-CYBMUJFWSA-N -1 1 388.476 1.337 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccc(F)c(F)c1 ZINC001575918170 950587987 /nfs/dbraw/zinc/58/79/87/950587987.db2.gz AVTHYBSPYHIMLO-RNCFNFMXSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccc(F)c(F)c1 ZINC001575918170 950588003 /nfs/dbraw/zinc/58/80/03/950588003.db2.gz AVTHYBSPYHIMLO-RNCFNFMXSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1C)n1cccc1 ZINC001574512869 950592488 /nfs/dbraw/zinc/59/24/88/950592488.db2.gz FIQSYHPBUPJPHU-MJBXVCDLSA-N -1 1 381.444 1.193 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)cs1)CNc1nccnc1-c1nnn[n-]1 ZINC001575000166 950599853 /nfs/dbraw/zinc/59/98/53/950599853.db2.gz BDDGECLPDZAVCQ-MRVPVSSYSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)cs1)CNc1nccnc1-c1nn[n-]n1 ZINC001575000166 950599867 /nfs/dbraw/zinc/59/98/67/950599867.db2.gz BDDGECLPDZAVCQ-MRVPVSSYSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@@H](C)c1cccc(F)c1 ZINC001574513513 950608452 /nfs/dbraw/zinc/60/84/52/950608452.db2.gz RRMCQVVYPGPOMZ-VXGBXAGGSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@@H](C)c1cccc(F)c1 ZINC001574513513 950608470 /nfs/dbraw/zinc/60/84/70/950608470.db2.gz RRMCQVVYPGPOMZ-VXGBXAGGSA-N -1 1 384.419 1.906 20 0 GDADMM CC1(C)C(C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)C1(C)C ZINC001575618628 950613829 /nfs/dbraw/zinc/61/38/29/950613829.db2.gz LSIYJDXPDFNSPQ-CNDDSTCGSA-N -1 1 382.472 1.137 20 0 GDADMM CC1(C)C(C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]32)C1(C)C ZINC001575618628 950613855 /nfs/dbraw/zinc/61/38/55/950613855.db2.gz LSIYJDXPDFNSPQ-CNDDSTCGSA-N -1 1 382.472 1.137 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)ccc1F)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575001173 950621289 /nfs/dbraw/zinc/62/12/89/950621289.db2.gz UVSAVBKCFTXKFW-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)ccc1F)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575001173 950621302 /nfs/dbraw/zinc/62/13/02/950621302.db2.gz UVSAVBKCFTXKFW-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM CC(C)CCC(=O)N[C@@H]1CC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001574174076 950621583 /nfs/dbraw/zinc/62/15/83/950621583.db2.gz FKPQWSPZBLUFSN-RRFJBIMHSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)CCC(=O)N[C@@H]1CC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001574174076 950621602 /nfs/dbraw/zinc/62/16/02/950621602.db2.gz FKPQWSPZBLUFSN-RRFJBIMHSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(CF)cc1 ZINC001575919865 950622447 /nfs/dbraw/zinc/62/24/47/950622447.db2.gz KWJFNCYIODWVLL-FZMZJTMJSA-N -1 1 382.403 1.263 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001574515174 950624967 /nfs/dbraw/zinc/62/49/67/950624967.db2.gz BJCKJGIZEBTFFW-OPRDCNLKSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001574515174 950624980 /nfs/dbraw/zinc/62/49/80/950624980.db2.gz BJCKJGIZEBTFFW-OPRDCNLKSA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)(C)OCC(=O)NCCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573871932 950626729 /nfs/dbraw/zinc/62/67/29/950626729.db2.gz XTSIVRFHUAVITH-UHFFFAOYSA-N -1 1 388.476 1.195 20 0 GDADMM CC(C)(C)OCC(=O)NCCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573871932 950626743 /nfs/dbraw/zinc/62/67/43/950626743.db2.gz XTSIVRFHUAVITH-UHFFFAOYSA-N -1 1 388.476 1.195 20 0 GDADMM CC1(C)C(C(=O)N2CC[C@@H](CCNc3nccnc3-c3nnn[n-]3)C2)C1(C)C ZINC001575620794 950637021 /nfs/dbraw/zinc/63/70/21/950637021.db2.gz ZLYNJKHCYDXYGV-GFCCVEGCSA-N -1 1 384.488 1.989 20 0 GDADMM CC1(C)C(C(=O)N2CC[C@@H](CCNc3nccnc3-c3nn[n-]n3)C2)C1(C)C ZINC001575620794 950637034 /nfs/dbraw/zinc/63/70/34/950637034.db2.gz ZLYNJKHCYDXYGV-GFCCVEGCSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(F)cc(F)c1 ZINC001575922395 950647123 /nfs/dbraw/zinc/64/71/23/950647123.db2.gz PILNRHJLGKPYDI-TVQRCGJNSA-N -1 1 386.366 1.072 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)c[nH]1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575002322 950658882 /nfs/dbraw/zinc/65/88/82/950658882.db2.gz SCCZIQKFLFZHJU-LURJTMIESA-N -1 1 384.828 1.699 20 0 GDADMM CC1(C)C2CCC1(C(=O)N[C@@H]1CCN(c3nccnc3-c3nnn[n-]3)C1)CC2 ZINC001575624054 950662713 /nfs/dbraw/zinc/66/27/13/950662713.db2.gz NCQFJDFXVZARHS-FWHMADFJSA-N -1 1 382.472 1.568 20 0 GDADMM CC1(C)C2CCC1(C(=O)N[C@@H]1CCN(c3nccnc3-c3nn[n-]n3)C1)CC2 ZINC001575624054 950662724 /nfs/dbraw/zinc/66/27/24/950662724.db2.gz NCQFJDFXVZARHS-FWHMADFJSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccn(C)n1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574760555 950668901 /nfs/dbraw/zinc/66/89/01/950668901.db2.gz WZKUWILQIQTWQA-SSDOTTSWSA-N -1 1 381.853 1.283 20 0 GDADMM CC(C)CCC(=O)N[C@@H]1CC[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001574176100 950671518 /nfs/dbraw/zinc/67/15/18/950671518.db2.gz UHCMSCQCQFAASM-RBSFLKMASA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccc2c(c1)CCC2 ZINC001575924236 950672733 /nfs/dbraw/zinc/67/27/33/950672733.db2.gz FBMNFRPFKOQDQT-LRDDRELGSA-N -1 1 390.451 1.861 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccc2c(c1)CCC2 ZINC001575924236 950672747 /nfs/dbraw/zinc/67/27/47/950672747.db2.gz FBMNFRPFKOQDQT-LRDDRELGSA-N -1 1 390.451 1.861 20 0 GDADMM CC1(C)CC(C(=O)N2CCC(CCNc3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001575625828 950696606 /nfs/dbraw/zinc/69/66/06/950696606.db2.gz XNFCZLNFJPCXME-UHFFFAOYSA-N -1 1 384.488 1.555 20 0 GDADMM CC1(C)CC(C(=O)N2CCCC[C@H]2CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575625840 950697060 /nfs/dbraw/zinc/69/70/60/950697060.db2.gz YABFEVINILRMEI-AWEZNQCLSA-N -1 1 384.488 1.698 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576215731 950709114 /nfs/dbraw/zinc/70/91/14/950709114.db2.gz BKFLEXWXRRLZFF-NXEZZACHSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576215731 950709125 /nfs/dbraw/zinc/70/91/25/950709125.db2.gz BKFLEXWXRRLZFF-NXEZZACHSA-N -1 1 378.387 1.351 20 0 GDADMM CC(C)(C)c1cc(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)[nH]n1 ZINC001573879431 950721644 /nfs/dbraw/zinc/72/16/44/950721644.db2.gz BRIAHKJDDYETED-JTQLQIEISA-N -1 1 382.432 1.004 20 0 GDADMM CC(C)(C)c1cc(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)[nH]n1 ZINC001573879431 950721662 /nfs/dbraw/zinc/72/16/62/950721662.db2.gz BRIAHKJDDYETED-JTQLQIEISA-N -1 1 382.432 1.004 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccc(C(F)F)o1 ZINC001575926759 950723134 /nfs/dbraw/zinc/72/31/34/950723134.db2.gz LNJPKWHUTRGXLV-DTWKUNHWSA-N -1 1 390.354 1.902 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccc(C(F)F)o1 ZINC001575926759 950723147 /nfs/dbraw/zinc/72/31/47/950723147.db2.gz LNJPKWHUTRGXLV-DTWKUNHWSA-N -1 1 390.354 1.902 20 0 GDADMM C[C@@H](CNC(=O)c1cc2sccc2s1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575006975 950728157 /nfs/dbraw/zinc/72/81/57/950728157.db2.gz ZKXZQUFYZPTKRI-QMMMGPOBSA-N -1 1 386.466 1.585 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C2CCCC2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576216350 950731869 /nfs/dbraw/zinc/73/18/69/950731869.db2.gz DJSNSEFMDVASRP-OCCSQVGLSA-N -1 1 384.488 1.554 20 0 GDADMM CC(C)(C)c1cc(C(=O)NCC2(Nc3cncc(-c4nnn[n-]4)n3)CC2)[nH]n1 ZINC001573879759 950732559 /nfs/dbraw/zinc/73/25/59/950732559.db2.gz LDGATRCFDRDHAS-UHFFFAOYSA-N -1 1 382.432 1.052 20 0 GDADMM CC(C)(C)c1cc(C(=O)NCC2(Nc3cncc(-c4nn[n-]n4)n3)CC2)[nH]n1 ZINC001573879759 950732567 /nfs/dbraw/zinc/73/25/67/950732567.db2.gz LDGATRCFDRDHAS-UHFFFAOYSA-N -1 1 382.432 1.052 20 0 GDADMM CC(C)CCC(=O)N[C@@H]1COC2(CN(Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001574181456 950744426 /nfs/dbraw/zinc/74/44/26/950744426.db2.gz NXLUDEHANHIYHW-ZDUSSCGKSA-N -1 1 390.513 1.824 20 0 GDADMM CC(C)(C)c1ccc(C(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001573881382 950748904 /nfs/dbraw/zinc/74/89/04/950748904.db2.gz DHBMHYXIVFHEGL-OAHLLOKOSA-N -1 1 392.467 1.963 20 0 GDADMM CC(C)(C)c1ccc(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001573881382 950748930 /nfs/dbraw/zinc/74/89/30/950748930.db2.gz DHBMHYXIVFHEGL-OAHLLOKOSA-N -1 1 392.467 1.963 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C2CCC2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576217033 950750257 /nfs/dbraw/zinc/75/02/57/950750257.db2.gz GFLNLZAYPMAZFA-OLZOCXBDSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C2CCC2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576217033 950750273 /nfs/dbraw/zinc/75/02/73/950750273.db2.gz GFLNLZAYPMAZFA-OLZOCXBDSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H](CN(C)C(=O)c1cnc2cnccc2c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574764507 950750860 /nfs/dbraw/zinc/75/08/60/950750860.db2.gz UPZKPBXDZQVFSB-LLVKDONJSA-N -1 1 390.411 1.173 20 0 GDADMM C[C@H](CN(C)C(=O)c1cnc2cnccc2c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574764507 950750867 /nfs/dbraw/zinc/75/08/67/950750867.db2.gz UPZKPBXDZQVFSB-LLVKDONJSA-N -1 1 390.411 1.173 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1cccs1 ZINC001575927838 950759637 /nfs/dbraw/zinc/75/96/37/950759637.db2.gz VFCGARWZMBHTBW-DGCLKSJQSA-N -1 1 384.469 1.752 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1cccs1 ZINC001575927838 950759651 /nfs/dbraw/zinc/75/96/51/950759651.db2.gz VFCGARWZMBHTBW-DGCLKSJQSA-N -1 1 384.469 1.752 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576217359 950760367 /nfs/dbraw/zinc/76/03/67/950760367.db2.gz GYOPUCBQSVQPHP-WDEREUQCSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576217359 950760382 /nfs/dbraw/zinc/76/03/82/950760382.db2.gz GYOPUCBQSVQPHP-WDEREUQCSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C(C)(F)F)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576217389 950760515 /nfs/dbraw/zinc/76/05/15/950760515.db2.gz NIVBONPYMGPUGI-MWLCHTKSSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C(C)(F)F)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576217389 950760531 /nfs/dbraw/zinc/76/05/31/950760531.db2.gz NIVBONPYMGPUGI-MWLCHTKSSA-N -1 1 380.403 1.597 20 0 GDADMM CC(C)c1nc(C(=O)N(C)C[C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)cs1 ZINC001574764955 950765560 /nfs/dbraw/zinc/76/55/60/950765560.db2.gz ANIMDDZAULHLHG-SNVBAGLBSA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)c1nc(C(=O)N(C)C[C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)cs1 ZINC001574764955 950765578 /nfs/dbraw/zinc/76/55/78/950765578.db2.gz ANIMDDZAULHLHG-SNVBAGLBSA-N -1 1 387.473 1.809 20 0 GDADMM C[C@H]1CN(C(=O)C(C2CC2)C2CC2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576218403 950790777 /nfs/dbraw/zinc/79/07/77/950790777.db2.gz LVVVPSYIGQLKHN-FZMZJTMJSA-N -1 1 382.472 1.599 20 0 GDADMM C[C@H]1CN(C(=O)C(C2CC2)C2CC2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576218403 950790795 /nfs/dbraw/zinc/79/07/95/950790795.db2.gz LVVVPSYIGQLKHN-FZMZJTMJSA-N -1 1 382.472 1.599 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576219143 950806505 /nfs/dbraw/zinc/80/65/05/950806505.db2.gz NLEIHEBMFDDYJU-QWRGUYRKSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576219143 950806532 /nfs/dbraw/zinc/80/65/32/950806532.db2.gz NLEIHEBMFDDYJU-QWRGUYRKSA-N -1 1 392.414 1.599 20 0 GDADMM CC1(C)CC(CC(=O)N2CC[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)C1 ZINC001575632921 950809787 /nfs/dbraw/zinc/80/97/87/950809787.db2.gz PPQRZTFDQYQMBT-DZGCQCFKSA-N -1 1 382.472 1.520 20 0 GDADMM CC1(C)CC(CC(=O)N2CC[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]32)C1 ZINC001575632921 950809809 /nfs/dbraw/zinc/80/98/09/950809809.db2.gz PPQRZTFDQYQMBT-DZGCQCFKSA-N -1 1 382.472 1.520 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccc(F)cc1F ZINC001575931511 950813408 /nfs/dbraw/zinc/81/34/08/950813408.db2.gz IKCHUYRZGVAOBW-NOZJJQNGSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(F)cc1F ZINC001575931511 950813429 /nfs/dbraw/zinc/81/34/29/950813429.db2.gz IKCHUYRZGVAOBW-NOZJJQNGSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccc(F)c(F)c1 ZINC001575931949 950817970 /nfs/dbraw/zinc/81/79/70/950817970.db2.gz KBFXUSIQWXJMRM-RNCFNFMXSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(F)c(F)c1 ZINC001575931949 950817992 /nfs/dbraw/zinc/81/79/92/950817992.db2.gz KBFXUSIQWXJMRM-RNCFNFMXSA-N -1 1 386.366 1.650 20 0 GDADMM CC(C)c1ncsc1C(=O)N(C)C[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574766796 950824345 /nfs/dbraw/zinc/82/43/45/950824345.db2.gz KXZQYMOCOMMLEX-JTQLQIEISA-N -1 1 387.473 1.231 20 0 GDADMM C[C@H](CN(C)C(=O)c1coc(C(F)F)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574766892 950831154 /nfs/dbraw/zinc/83/11/54/950831154.db2.gz NYSFNRYCPLBQEM-MRVPVSSYSA-N -1 1 378.343 1.182 20 0 GDADMM CC(C)(C)c1n[nH]cc1C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573885532 950834172 /nfs/dbraw/zinc/83/41/72/950834172.db2.gz YOPXQQXRRAFRTI-UHFFFAOYSA-N -1 1 382.432 1.052 20 0 GDADMM CC(C)(C)c1n[nH]cc1C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573885532 950834204 /nfs/dbraw/zinc/83/42/04/950834204.db2.gz YOPXQQXRRAFRTI-UHFFFAOYSA-N -1 1 382.432 1.052 20 0 GDADMM C[C@H](CN(C)C(=O)c1scnc1Cl)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574767145 950837153 /nfs/dbraw/zinc/83/71/53/950837153.db2.gz MFWGUNQBMOHJRB-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CN(C)C(=O)c1scnc1Cl)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574767145 950837176 /nfs/dbraw/zinc/83/71/76/950837176.db2.gz MFWGUNQBMOHJRB-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM CC(C)(C)c1nc[nH]c1C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573885820 950838090 /nfs/dbraw/zinc/83/80/90/950838090.db2.gz VCOMFZBEBQFQCA-UHFFFAOYSA-N -1 1 382.432 1.052 20 0 GDADMM CC(C)(C)c1nc[nH]c1C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573885820 950838112 /nfs/dbraw/zinc/83/81/12/950838112.db2.gz VCOMFZBEBQFQCA-UHFFFAOYSA-N -1 1 382.432 1.052 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1coc(C2CC2)n1 ZINC001575934119 950849204 /nfs/dbraw/zinc/84/92/04/950849204.db2.gz QIIBEOOZRSSAIU-KOLCDFICSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1coc(C2CC2)n1 ZINC001575934119 950849241 /nfs/dbraw/zinc/84/92/41/950849241.db2.gz QIIBEOOZRSSAIU-KOLCDFICSA-N -1 1 381.400 1.237 20 0 GDADMM CC(C)CCCC(=O)NC[C@@]1(C)CN(c2cnc(-c3nnn[n-]3)cn2)CCO1 ZINC001574189030 950858877 /nfs/dbraw/zinc/85/88/77/950858877.db2.gz AFNYHKGHLZYPDG-SFHVURJKSA-N -1 1 388.476 1.195 20 0 GDADMM CC(C)CCCC(=O)NC[C@@]1(C)CN(c2cnc(-c3nn[n-]n3)cn2)CCO1 ZINC001574189030 950858898 /nfs/dbraw/zinc/85/88/98/950858898.db2.gz AFNYHKGHLZYPDG-SFHVURJKSA-N -1 1 388.476 1.195 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CCCC2)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576222072 950865469 /nfs/dbraw/zinc/86/54/69/950865469.db2.gz XGFPMCBQVQOELM-PWSUYJOCSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CCCC2)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576222072 950865483 /nfs/dbraw/zinc/86/54/83/950865483.db2.gz XGFPMCBQVQOELM-PWSUYJOCSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccc(C2CC2)cn1 ZINC001575935140 950876323 /nfs/dbraw/zinc/87/63/23/950876323.db2.gz VPFKNLZWZIIYDA-FZMZJTMJSA-N -1 1 391.439 1.644 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(C2CC2)cn1 ZINC001575935140 950876343 /nfs/dbraw/zinc/87/63/43/950876343.db2.gz VPFKNLZWZIIYDA-FZMZJTMJSA-N -1 1 391.439 1.644 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccc(C2CC2)cn1 ZINC001575935139 950877743 /nfs/dbraw/zinc/87/77/43/950877743.db2.gz VPFKNLZWZIIYDA-BXUZGUMPSA-N -1 1 391.439 1.644 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(C2CC2)cn1 ZINC001575935139 950877764 /nfs/dbraw/zinc/87/77/64/950877764.db2.gz VPFKNLZWZIIYDA-BXUZGUMPSA-N -1 1 391.439 1.644 20 0 GDADMM CC(C)CCCC(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@]2(C)C1 ZINC001574189409 950880036 /nfs/dbraw/zinc/88/00/36/950880036.db2.gz KJNIJBGXSAJBOR-KUHUBIRLSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)CCCC(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@]2(C)C1 ZINC001574189409 950880051 /nfs/dbraw/zinc/88/00/51/950880051.db2.gz KJNIJBGXSAJBOR-KUHUBIRLSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ncc(Cl)s1 ZINC001575935799 950898433 /nfs/dbraw/zinc/89/84/33/950898433.db2.gz YWQGXYDSWNNAJB-SFYZADRCSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ncc(Cl)s1 ZINC001575935799 950898446 /nfs/dbraw/zinc/89/84/46/950898446.db2.gz YWQGXYDSWNNAJB-SFYZADRCSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1CN(C(=O)C2CCC3(CC3)CC2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576228108 950930829 /nfs/dbraw/zinc/93/08/29/950930829.db2.gz IZEJDCFHLFHYFA-TZMCWYRMSA-N -1 1 382.472 1.308 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)CC(C)(C)C1 ZINC001575642414 950941929 /nfs/dbraw/zinc/94/19/29/950941929.db2.gz UWNQELRSFADWNI-QWHCGFSZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C3CCC3)CCC2)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576228607 950948729 /nfs/dbraw/zinc/94/87/29/950948729.db2.gz HWIATKBVUHGJLH-DOMZBBRYSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C3CCC3)CCC2)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576228607 950948742 /nfs/dbraw/zinc/94/87/42/950948742.db2.gz HWIATKBVUHGJLH-DOMZBBRYSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@H]1[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCN1C(=O)c1cnco1 ZINC001575937694 950956387 /nfs/dbraw/zinc/95/63/87/950956387.db2.gz GYGKLCWAOSPXDG-BQBZGAKWSA-N -1 1 380.821 1.680 20 0 GDADMM C[C@H]1[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCN1C(=O)c1cnco1 ZINC001575937694 950956402 /nfs/dbraw/zinc/95/64/02/950956402.db2.gz GYGKLCWAOSPXDG-BQBZGAKWSA-N -1 1 380.821 1.680 20 0 GDADMM C[C@H]1CN(C(=O)C2(F)CCCC2)CC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576229072 950958418 /nfs/dbraw/zinc/95/84/18/950958418.db2.gz IQNFJBPEFFWSRL-STQMWFEESA-N -1 1 388.451 1.836 20 0 GDADMM C[C@H]1CN(C(=O)C2(F)CCCC2)CC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576229072 950958432 /nfs/dbraw/zinc/95/84/32/950958432.db2.gz IQNFJBPEFFWSRL-STQMWFEESA-N -1 1 388.451 1.836 20 0 GDADMM C[C@H]1CN(C(=O)C2(c3ccccn3)CC2)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576230327 950998955 /nfs/dbraw/zinc/99/89/55/950998955.db2.gz BIHFYFCBWGDZOM-JSGCOSHPSA-N -1 1 391.439 1.042 20 0 GDADMM C[C@H]1CN(C(=O)C2(c3ccccn3)CC2)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576230327 950998974 /nfs/dbraw/zinc/99/89/74/950998974.db2.gz BIHFYFCBWGDZOM-JSGCOSHPSA-N -1 1 391.439 1.042 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573900166 950999831 /nfs/dbraw/zinc/99/98/31/950999831.db2.gz SFLPNXMYOQXRGB-UHFFFAOYSA-N -1 1 384.366 1.118 20 0 GDADMM C[C@H]1CN(C(=O)C2(F)CCCCC2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576230468 951005890 /nfs/dbraw/zinc/00/58/90/951005890.db2.gz MILWPGLBLSOVTB-QWHCGFSZSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@H]1CN(C(=O)C2(F)CCCCC2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576230468 951005913 /nfs/dbraw/zinc/00/59/13/951005913.db2.gz MILWPGLBLSOVTB-QWHCGFSZSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)cc1F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575024136 951091985 /nfs/dbraw/zinc/09/19/85/951091985.db2.gz WCHNMZDCAWVCLK-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)cc1F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575024136 951091997 /nfs/dbraw/zinc/09/19/97/951091997.db2.gz WCHNMZDCAWVCLK-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCO2)CNc1nccnc1-c1nnn[n-]1 ZINC001575024653 951109442 /nfs/dbraw/zinc/10/94/42/951109442.db2.gz KADKLIMOTXRBBI-LLVKDONJSA-N -1 1 380.412 1.070 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCO2)CNc1nccnc1-c1nn[n-]n1 ZINC001575024653 951109451 /nfs/dbraw/zinc/10/94/51/951109451.db2.gz KADKLIMOTXRBBI-LLVKDONJSA-N -1 1 380.412 1.070 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCC2)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575024585 951110780 /nfs/dbraw/zinc/11/07/80/951110780.db2.gz IEWUWWNNIDCWSE-GFCCVEGCSA-N -1 1 378.440 1.400 20 0 GDADMM O=C([O-])CC[C@@H]1C[C@H](C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)CO1 ZINC001595000500 951116398 /nfs/dbraw/zinc/11/63/98/951116398.db2.gz CHSACXWKIIHUPT-OKYOBFRVSA-N -1 1 390.480 1.256 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)cc1Cl)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575024979 951119807 /nfs/dbraw/zinc/11/98/07/951119807.db2.gz QYDHHWYNHBIOAV-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)cc1Cl)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575024979 951119813 /nfs/dbraw/zinc/11/98/13/951119813.db2.gz QYDHHWYNHBIOAV-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)cc1Cl)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575024961 951120933 /nfs/dbraw/zinc/12/09/33/951120933.db2.gz QNLRDGFHIUPDHC-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)cc1Cl)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575024961 951120946 /nfs/dbraw/zinc/12/09/46/951120946.db2.gz QNLRDGFHIUPDHC-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCC2)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575025020 951123676 /nfs/dbraw/zinc/12/36/76/951123676.db2.gz RVLFAGVDTWKLOY-LBPRGKRZSA-N -1 1 378.440 1.623 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCC2)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575025020 951123678 /nfs/dbraw/zinc/12/36/78/951123678.db2.gz RVLFAGVDTWKLOY-LBPRGKRZSA-N -1 1 378.440 1.623 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2ccn(C)c2c1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575026407 951142713 /nfs/dbraw/zinc/14/27/13/951142713.db2.gz JDSPCRNZHPWDSY-LBPRGKRZSA-N -1 1 391.439 1.403 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2ccn(C)c2c1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575026407 951142720 /nfs/dbraw/zinc/14/27/20/951142720.db2.gz JDSPCRNZHPWDSY-LBPRGKRZSA-N -1 1 391.439 1.403 20 0 GDADMM C[C@@H](CNC(=O)c1ccccc1C1(C)CC1)Nc1nccnc1-c1nnn[n-]1 ZINC001575027969 951165312 /nfs/dbraw/zinc/16/53/12/951165312.db2.gz KCNHBZNVWWASGI-LBPRGKRZSA-N -1 1 378.440 1.939 20 0 GDADMM C[C@@H](CNC(=O)c1ccccc1C1(C)CC1)Nc1nccnc1-c1nn[n-]n1 ZINC001575027969 951165318 /nfs/dbraw/zinc/16/53/18/951165318.db2.gz KCNHBZNVWWASGI-LBPRGKRZSA-N -1 1 378.440 1.939 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2c1CCCCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575029408 951187191 /nfs/dbraw/zinc/18/71/91/951187191.db2.gz UXEXTENKYMNDPB-ZDUSSCGKSA-N -1 1 392.467 1.578 20 0 GDADMM C[C@H](CNC(=O)c1cccnn1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575031851 951207314 /nfs/dbraw/zinc/20/73/14/951207314.db2.gz KLFWECMTJPJLPR-SSDOTTSWSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@H](CNC(=O)c1cccnn1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575031851 951207317 /nfs/dbraw/zinc/20/73/17/951207317.db2.gz KLFWECMTJPJLPR-SSDOTTSWSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1ccncc1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575034253 951242352 /nfs/dbraw/zinc/24/23/52/951242352.db2.gz KQFWGTBOYOTXRZ-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@@H](CNC(=O)c1ccncc1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575034253 951242362 /nfs/dbraw/zinc/24/23/62/951242362.db2.gz KQFWGTBOYOTXRZ-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@@H](CNC(=O)c1ccnnc1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575034891 951261287 /nfs/dbraw/zinc/26/12/87/951261287.db2.gz QBOSQMFREFPQDN-ZETCQYMHSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1ccnnc1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575034891 951261299 /nfs/dbraw/zinc/26/12/99/951261299.db2.gz QBOSQMFREFPQDN-ZETCQYMHSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@H](CNC(=O)c1ccn(C2CCCC2)n1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575036636 951299437 /nfs/dbraw/zinc/29/94/37/951299437.db2.gz UQRRWQATWBKPBE-LLVKDONJSA-N -1 1 382.432 1.199 20 0 GDADMM C[C@H](CNC(=O)c1ccn(C2CCCC2)n1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575036636 951299450 /nfs/dbraw/zinc/29/94/50/951299450.db2.gz UQRRWQATWBKPBE-LLVKDONJSA-N -1 1 382.432 1.199 20 0 GDADMM CC(C)Oc1cc(C(=O)NC[C@@H](C)Nc2nccnc2-c2nnn[n-]2)ccn1 ZINC001575036732 951302356 /nfs/dbraw/zinc/30/23/56/951302356.db2.gz XHSLDNGCIOZDNH-LLVKDONJSA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1cc(C(=O)NC[C@@H](C)Nc2nccnc2-c2nn[n-]n2)ccn1 ZINC001575036732 951302369 /nfs/dbraw/zinc/30/23/69/951302369.db2.gz XHSLDNGCIOZDNH-LLVKDONJSA-N -1 1 383.416 1.069 20 0 GDADMM C[C@@H](CNC(=O)c1ccsn1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575037892 951311455 /nfs/dbraw/zinc/31/14/55/951311455.db2.gz DYMYWDIQJKOQNS-LURJTMIESA-N -1 1 384.878 1.911 20 0 GDADMM CCOc1ccc([C@@H](O)C2CCN([C@@H]3CCN(CC(=O)[O-])C3=O)CC2)cc1 ZINC001592426077 951328768 /nfs/dbraw/zinc/32/87/68/951328768.db2.gz JKZFNQVQPPEVPW-IEBWSBKVSA-N -1 1 376.453 1.516 20 0 GDADMM CC(C)(C)OC(=O)[C@](C)(O)CNCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001602874648 971750675 /nfs/dbraw/zinc/75/06/75/971750675.db2.gz UURFFYSPLUJEIX-BFUOFWGJSA-N -1 1 382.457 1.763 20 0 GDADMM C[C@@H](CNC(=O)c1csc(Cl)n1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575060797 951546909 /nfs/dbraw/zinc/54/69/09/951546909.db2.gz GTCLXXMRSOFSFJ-ZETCQYMHSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@H](CNC(=O)c1ncc(Cl)s1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575060909 951551528 /nfs/dbraw/zinc/55/15/28/951551528.db2.gz JMJZWGRRTCTAHJ-ZETCQYMHSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@H](CNC(=O)c1ncc(Cl)s1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575060909 951551537 /nfs/dbraw/zinc/55/15/37/951551537.db2.gz JMJZWGRRTCTAHJ-ZETCQYMHSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@H](CNC(=O)c1csc(Cl)n1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575062072 951563786 /nfs/dbraw/zinc/56/37/86/951563786.db2.gz SHOJQDOUOAOJDS-SSDOTTSWSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@H](CNC(=O)c1csc(Cl)n1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575062072 951563794 /nfs/dbraw/zinc/56/37/94/951563794.db2.gz SHOJQDOUOAOJDS-SSDOTTSWSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@H](CNC(=O)c1nc(C(C)(C)C)cs1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575062808 951570347 /nfs/dbraw/zinc/57/03/47/951570347.db2.gz YUWNZEFGQOHEHM-SECBINFHSA-N -1 1 387.473 1.641 20 0 GDADMM C[C@H](CNC(=O)c1nc(C(C)(C)C)cs1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575062808 951570351 /nfs/dbraw/zinc/57/03/51/951570351.db2.gz YUWNZEFGQOHEHM-SECBINFHSA-N -1 1 387.473 1.641 20 0 GDADMM C[C@H](CNC(=O)c1noc2c1CCCCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575067575 951616381 /nfs/dbraw/zinc/61/63/81/951616381.db2.gz VRWAAHADPCYOHJ-SNVBAGLBSA-N -1 1 383.416 1.144 20 0 GDADMM C[C@H](CNC(=O)c1noc2c1CCCCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575067575 951616395 /nfs/dbraw/zinc/61/63/95/951616395.db2.gz VRWAAHADPCYOHJ-SNVBAGLBSA-N -1 1 383.416 1.144 20 0 GDADMM O=C([O-])COc1ccc(C(=O)NCc2n[nH]c(COc3ccccc3)n2)cc1 ZINC001595118702 951957470 /nfs/dbraw/zinc/95/74/70/951957470.db2.gz COFRLWNTFNMAJB-UHFFFAOYSA-N -1 1 382.376 1.777 20 0 GDADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)[C@@H]1CCC1(F)F)C1CC1 ZINC001575123629 952017548 /nfs/dbraw/zinc/01/75/48/952017548.db2.gz BKTNPNQZARYZJV-BONVTDFDSA-N -1 1 378.387 1.399 20 0 GDADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)[C@@H]1CCC1(F)F)C1CC1 ZINC001575123629 952017560 /nfs/dbraw/zinc/01/75/60/952017560.db2.gz BKTNPNQZARYZJV-BONVTDFDSA-N -1 1 378.387 1.399 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)C1(C(F)F)CCCC1 ZINC001575134680 952112054 /nfs/dbraw/zinc/11/20/54/952112054.db2.gz OIAHOMBPDXNLBV-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)C1(C(F)F)CCCC1 ZINC001575134680 952112060 /nfs/dbraw/zinc/11/20/60/952112060.db2.gz OIAHOMBPDXNLBV-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1c(F)cc(F)cc1F ZINC001575135442 952117423 /nfs/dbraw/zinc/11/74/23/952117423.db2.gz ROVZRROZKLKQMC-MRVPVSSYSA-N -1 1 392.345 1.647 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1c(F)cc(F)cc1F ZINC001575135442 952117427 /nfs/dbraw/zinc/11/74/27/952117427.db2.gz ROVZRROZKLKQMC-MRVPVSSYSA-N -1 1 392.345 1.647 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cnc2cnccc2c1 ZINC001575136417 952126326 /nfs/dbraw/zinc/12/63/26/952126326.db2.gz PBLPAQOAEOJCQH-LLVKDONJSA-N -1 1 390.411 1.173 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cnc2cnccc2c1 ZINC001575136417 952126330 /nfs/dbraw/zinc/12/63/30/952126330.db2.gz PBLPAQOAEOJCQH-LLVKDONJSA-N -1 1 390.411 1.173 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1coc(C(C)(C)C)n1 ZINC001575137359 952137464 /nfs/dbraw/zinc/13/74/64/952137464.db2.gz XBYQCGUKUIBDTC-JTQLQIEISA-N -1 1 385.432 1.515 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1coc(C(C)(C)C)n1 ZINC001575137359 952137466 /nfs/dbraw/zinc/13/74/66/952137466.db2.gz XBYQCGUKUIBDTC-JTQLQIEISA-N -1 1 385.432 1.515 20 0 GDADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)c1ccccc1F)C1CC1 ZINC001575139663 952140556 /nfs/dbraw/zinc/14/05/56/952140556.db2.gz AAHRAGSZFYMNER-SFHVURJKSA-N -1 1 382.403 1.228 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc(F)cc1Cl ZINC001575144033 952161736 /nfs/dbraw/zinc/16/17/36/952161736.db2.gz FRLNSVNTHJSOJB-VIFPVBQESA-N -1 1 390.810 1.444 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C[C@H]1CCCC1(F)F ZINC001575144155 952162480 /nfs/dbraw/zinc/16/24/80/952162480.db2.gz UNSSEVCJKLUBKT-WDEREUQCSA-N -1 1 380.403 1.163 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C[C@H]1CCCC1(F)F ZINC001575144145 952162978 /nfs/dbraw/zinc/16/29/78/952162978.db2.gz UNSSEVCJKLUBKT-GHMZBOCLSA-N -1 1 380.403 1.163 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C1CCC(F)(F)CC1 ZINC001575144301 952164701 /nfs/dbraw/zinc/16/47/01/952164701.db2.gz UVSMVLDGLPYNSY-SNVBAGLBSA-N -1 1 380.403 1.163 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc2c(s1)CCC2 ZINC001575144449 952166064 /nfs/dbraw/zinc/16/60/64/952166064.db2.gz IPNFSMJYLKPVBA-SNVBAGLBSA-N -1 1 384.469 1.201 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc(C(F)F)o1 ZINC001575144667 952169561 /nfs/dbraw/zinc/16/95/61/952169561.db2.gz KEIWVCQFERIRDH-MRVPVSSYSA-N -1 1 378.343 1.182 20 0 GDADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)c1cncc(F)c1)C1CC1 ZINC001575153538 952210656 /nfs/dbraw/zinc/21/06/56/952210656.db2.gz IEJXQGHCOYUVSD-KRWDZBQOSA-N -1 1 383.391 1.201 20 0 GDADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)c1cncc(F)c1)C1CC1 ZINC001575153538 952210662 /nfs/dbraw/zinc/21/06/62/952210662.db2.gz IEJXQGHCOYUVSD-KRWDZBQOSA-N -1 1 383.391 1.201 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001575153692 952212332 /nfs/dbraw/zinc/21/23/32/952212332.db2.gz JDUOSANPFXTFCT-WCFLWFBJSA-N -1 1 384.469 1.781 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001575153692 952212337 /nfs/dbraw/zinc/21/23/37/952212337.db2.gz JDUOSANPFXTFCT-WCFLWFBJSA-N -1 1 384.469 1.781 20 0 GDADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)C[C@@H]1CCCCO1)C1CC1 ZINC001575154985 952233863 /nfs/dbraw/zinc/23/38/63/952233863.db2.gz JCRFNGQITBJBCX-UGSOOPFHSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)C[C@@H]1CCCCO1)C1CC1 ZINC001575154985 952233869 /nfs/dbraw/zinc/23/38/69/952233869.db2.gz JCRFNGQITBJBCX-UGSOOPFHSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cccc2[nH]ncc21 ZINC001575155381 952238145 /nfs/dbraw/zinc/23/81/45/952238145.db2.gz LXJHZJJCTIRYET-JTQLQIEISA-N -1 1 378.400 1.106 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)C1CC2(C1)CCOCC2 ZINC001575155735 952243453 /nfs/dbraw/zinc/24/34/53/952243453.db2.gz OZECMGJLXCXRIX-LBPRGKRZSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)C1CC2(C1)CCOCC2 ZINC001575155735 952243459 /nfs/dbraw/zinc/24/34/59/952243459.db2.gz OZECMGJLXCXRIX-LBPRGKRZSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)C[C@@H]1CCCOC1)C1CC1 ZINC001575155801 952243595 /nfs/dbraw/zinc/24/35/95/952243595.db2.gz PFRRQTHSJZYHNO-SGTLLEGYSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)C[C@@H]1CCCOC1)C1CC1 ZINC001575155801 952243599 /nfs/dbraw/zinc/24/35/99/952243599.db2.gz PFRRQTHSJZYHNO-SGTLLEGYSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)CC[C@H]1CCOC1)C1CC1 ZINC001575155903 952245733 /nfs/dbraw/zinc/24/57/33/952245733.db2.gz POMDKPHGWNSPEX-KPZWWZAWSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)CC[C@H]1CCOC1)C1CC1 ZINC001575155903 952245739 /nfs/dbraw/zinc/24/57/39/952245739.db2.gz POMDKPHGWNSPEX-KPZWWZAWSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)Cc1ccc(F)c(F)c1 ZINC001575158432 952271211 /nfs/dbraw/zinc/27/12/11/952271211.db2.gz VGHNAERVIDIWDP-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)Cc1ccc(F)c(F)c1 ZINC001575158432 952271219 /nfs/dbraw/zinc/27/12/19/952271219.db2.gz VGHNAERVIDIWDP-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cc2c([nH]1)CCCC2 ZINC001575158608 952273826 /nfs/dbraw/zinc/27/38/26/952273826.db2.gz WPAGJPOKDOEETB-LLVKDONJSA-N -1 1 381.444 1.436 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc2c([nH]1)CCCC2 ZINC001575158608 952273829 /nfs/dbraw/zinc/27/38/29/952273829.db2.gz WPAGJPOKDOEETB-LLVKDONJSA-N -1 1 381.444 1.436 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cnn(C2CCC2)c1 ZINC001575159276 952276866 /nfs/dbraw/zinc/27/68/66/952276866.db2.gz ZFJDHVBGIOEECS-LLVKDONJSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cnn(C2CCC2)c1 ZINC001575159276 952276873 /nfs/dbraw/zinc/27/68/73/952276873.db2.gz ZFJDHVBGIOEECS-LLVKDONJSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)c1cncn1C ZINC001575165317 952306633 /nfs/dbraw/zinc/30/66/33/952306633.db2.gz NIVNHDBFPUEFDR-SSDOTTSWSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)CC1CCOCC1)C1CC1 ZINC001575174373 952372001 /nfs/dbraw/zinc/37/20/01/952372001.db2.gz NHFZDHRQUSNVCK-SFHVURJKSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)CC1CCOCC1)C1CC1 ZINC001575174373 952372008 /nfs/dbraw/zinc/37/20/08/952372008.db2.gz NHFZDHRQUSNVCK-SFHVURJKSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)C1CCC(F)CC1)C1CC1 ZINC001575174923 952380181 /nfs/dbraw/zinc/38/01/81/952380181.db2.gz UKUWSUUHFYYFRK-LJMKFJKQSA-N -1 1 388.451 1.882 20 0 GDADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)C1CCC(F)CC1)C1CC1 ZINC001575174923 952380184 /nfs/dbraw/zinc/38/01/84/952380184.db2.gz UKUWSUUHFYYFRK-LJMKFJKQSA-N -1 1 388.451 1.882 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cc2c(o1)CCCC2 ZINC001575177800 952403905 /nfs/dbraw/zinc/40/39/05/952403905.db2.gz JTVDMLCVFIYXCP-LLVKDONJSA-N -1 1 382.428 1.701 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cc2c(o1)CCCC2 ZINC001575177800 952403912 /nfs/dbraw/zinc/40/39/12/952403912.db2.gz JTVDMLCVFIYXCP-LLVKDONJSA-N -1 1 382.428 1.701 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)c1ccn(C)n1 ZINC001575179454 952411085 /nfs/dbraw/zinc/41/10/85/952411085.db2.gz PEZAVGWCVCXJDJ-SSDOTTSWSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)c1ccn(C)n1 ZINC001575179454 952411093 /nfs/dbraw/zinc/41/10/93/952411093.db2.gz PEZAVGWCVCXJDJ-SSDOTTSWSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1coc(C(C)(C)C)n1 ZINC001575179468 952411234 /nfs/dbraw/zinc/41/12/34/952411234.db2.gz PIDTYQWRSSTDGZ-SNVBAGLBSA-N -1 1 385.432 1.515 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1coc(C(C)(C)C)n1 ZINC001575179468 952411238 /nfs/dbraw/zinc/41/12/38/952411238.db2.gz PIDTYQWRSSTDGZ-SNVBAGLBSA-N -1 1 385.432 1.515 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1csc(Cl)n1 ZINC001575180202 952415515 /nfs/dbraw/zinc/41/55/15/952415515.db2.gz TUKFAGMRDISFGX-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1csc(Cl)n1 ZINC001575180202 952415517 /nfs/dbraw/zinc/41/55/17/952415517.db2.gz TUKFAGMRDISFGX-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575187267 952439909 /nfs/dbraw/zinc/43/99/09/952439909.db2.gz BNJZUUJXWXQAOT-CYBMUJFWSA-N -1 1 384.444 1.413 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575187267 952439913 /nfs/dbraw/zinc/43/99/13/952439913.db2.gz BNJZUUJXWXQAOT-CYBMUJFWSA-N -1 1 384.444 1.413 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575187268 952440530 /nfs/dbraw/zinc/44/05/30/952440530.db2.gz BNJZUUJXWXQAOT-ZDUSSCGKSA-N -1 1 384.444 1.413 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575187268 952440538 /nfs/dbraw/zinc/44/05/38/952440538.db2.gz BNJZUUJXWXQAOT-ZDUSSCGKSA-N -1 1 384.444 1.413 20 0 GDADMM C[C@H](Cc1ccccc1F)C(=O)NCCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001575187468 952440899 /nfs/dbraw/zinc/44/08/99/952440899.db2.gz BTNVBVSBAZPRLG-GFCCVEGCSA-N -1 1 384.419 1.015 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N(C)C1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575187923 952444983 /nfs/dbraw/zinc/44/49/83/952444983.db2.gz FNRUPMAGLTWBHZ-HIFPTAJRSA-N -1 1 382.428 1.530 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N(C)C1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575187923 952444985 /nfs/dbraw/zinc/44/49/85/952444985.db2.gz FNRUPMAGLTWBHZ-HIFPTAJRSA-N -1 1 382.428 1.530 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NCC1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575195868 952473073 /nfs/dbraw/zinc/47/30/73/952473073.db2.gz CKEVQGDCCPXCLE-PNESKVBLSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NCC1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575195868 952473075 /nfs/dbraw/zinc/47/30/75/952473075.db2.gz CKEVQGDCCPXCLE-PNESKVBLSA-N -1 1 382.428 1.435 20 0 GDADMM O=C(CSc1cccnc1-c1nnn[n-]1)NC(=O)NCc1cccs1 ZINC001571117701 952483104 /nfs/dbraw/zinc/48/31/04/952483104.db2.gz OKAVYBREPNRASN-UHFFFAOYSA-N -1 1 375.439 1.441 20 0 GDADMM O=C(CSc1cccnc1-c1nn[n-]n1)NC(=O)NCc1cccs1 ZINC001571117701 952483111 /nfs/dbraw/zinc/48/31/11/952483111.db2.gz OKAVYBREPNRASN-UHFFFAOYSA-N -1 1 375.439 1.441 20 0 GDADMM COC(=O)c1cnc([C@H](C)NC(=O)c2cccc(F)c2-c2nnn[n-]2)s1 ZINC001571120408 952503934 /nfs/dbraw/zinc/50/39/34/952503934.db2.gz KUCCVCXWOUMWMT-ZETCQYMHSA-N -1 1 376.373 1.740 20 0 GDADMM COC(=O)c1cnc([C@H](C)NC(=O)c2cccc(F)c2-c2nn[n-]n2)s1 ZINC001571120408 952503937 /nfs/dbraw/zinc/50/39/37/952503937.db2.gz KUCCVCXWOUMWMT-ZETCQYMHSA-N -1 1 376.373 1.740 20 0 GDADMM O=C(c1ccc(C(F)F)o1)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571120520 952505189 /nfs/dbraw/zinc/50/51/89/952505189.db2.gz MQLNSKWKMFKANF-MRVPVSSYSA-N -1 1 376.327 1.514 20 0 GDADMM O=C(c1ccc(C(F)F)o1)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571120520 952505194 /nfs/dbraw/zinc/50/51/94/952505194.db2.gz MQLNSKWKMFKANF-MRVPVSSYSA-N -1 1 376.327 1.514 20 0 GDADMM CC[C@H](SC)C(=O)N1CCC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571123498 952530387 /nfs/dbraw/zinc/53/03/87/952530387.db2.gz SNXIJQCPIBEOBL-YPMHNXCESA-N -1 1 376.490 1.226 20 0 GDADMM CC[C@H](SC)C(=O)N1CCC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571123498 952530389 /nfs/dbraw/zinc/53/03/89/952530389.db2.gz SNXIJQCPIBEOBL-YPMHNXCESA-N -1 1 376.490 1.226 20 0 GDADMM O=C(c1cscc1Cl)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571123677 952530900 /nfs/dbraw/zinc/53/09/00/952530900.db2.gz UELAGVOSADOAFC-MRVPVSSYSA-N -1 1 376.833 1.698 20 0 GDADMM O=C(c1cscc1Cl)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571123677 952530905 /nfs/dbraw/zinc/53/09/05/952530905.db2.gz UELAGVOSADOAFC-MRVPVSSYSA-N -1 1 376.833 1.698 20 0 GDADMM O=C(NCc1cc(F)c(-c2nnn[n-]2)c(F)c1)c1c2c(ccc1F)OCO2 ZINC001571124109 952534176 /nfs/dbraw/zinc/53/41/76/952534176.db2.gz YYTRYDWOTDONGO-UHFFFAOYSA-N -1 1 377.282 1.943 20 0 GDADMM O=C(NCc1cc(F)c(-c2nn[n-]n2)c(F)c1)c1c2c(ccc1F)OCO2 ZINC001571124109 952534181 /nfs/dbraw/zinc/53/41/81/952534181.db2.gz YYTRYDWOTDONGO-UHFFFAOYSA-N -1 1 377.282 1.943 20 0 GDADMM COc1ncc(NC(=O)[C@H](C)CNC(=O)OC(C)(C)C)cc1-c1nn[n-]n1 ZINC001571124545 952539647 /nfs/dbraw/zinc/53/96/47/952539647.db2.gz MIFUTKKYFDSYDB-SECBINFHSA-N -1 1 377.405 1.370 20 0 GDADMM Cc1nsc(NC[C@H]2C[C@H](NC(=O)c3cnns3)C2)c1-c1nn[n-]n1 ZINC001571127817 952561278 /nfs/dbraw/zinc/56/12/78/952561278.db2.gz KIEFFYOUQMOOAM-ZKCHVHJHSA-N -1 1 377.459 1.104 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575214633 952565908 /nfs/dbraw/zinc/56/59/08/952565908.db2.gz NHBWKZFCCKRUGA-JTQLQIEISA-N -1 1 380.403 1.423 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575214633 952565914 /nfs/dbraw/zinc/56/59/14/952565914.db2.gz NHBWKZFCCKRUGA-JTQLQIEISA-N -1 1 380.403 1.423 20 0 GDADMM Cc1c(-c2nnn[n-]2)nn(-c2cccnc2)c1NC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC001571129166 952573399 /nfs/dbraw/zinc/57/33/99/952573399.db2.gz ASGCAWDQJGHLDF-CYZMBNFOSA-N -1 1 378.396 1.310 20 0 GDADMM Cc1c(-c2nn[n-]n2)nn(-c2cccnc2)c1NC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC001571129166 952573402 /nfs/dbraw/zinc/57/34/02/952573402.db2.gz ASGCAWDQJGHLDF-CYZMBNFOSA-N -1 1 378.396 1.310 20 0 GDADMM O=C([C@H]1CCC(F)(F)C1)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571129494 952574800 /nfs/dbraw/zinc/57/48/00/952574800.db2.gz FEJGWWVZCURGEX-QWRGUYRKSA-N -1 1 378.387 1.495 20 0 GDADMM O=C([C@H]1CCC(F)(F)C1)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571129494 952574805 /nfs/dbraw/zinc/57/48/05/952574805.db2.gz FEJGWWVZCURGEX-QWRGUYRKSA-N -1 1 378.387 1.495 20 0 GDADMM O=C(COc1cccc(C(F)(F)F)c1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001571129909 952577654 /nfs/dbraw/zinc/57/76/54/952577654.db2.gz LGURXRGQPUCFJK-UHFFFAOYSA-N -1 1 378.314 1.976 20 0 GDADMM O=C(COc1cccc(C(F)(F)F)c1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001571129909 952577656 /nfs/dbraw/zinc/57/76/56/952577656.db2.gz LGURXRGQPUCFJK-UHFFFAOYSA-N -1 1 378.314 1.976 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)[C@H]1CCCCC1(F)F ZINC001571130515 952580343 /nfs/dbraw/zinc/58/03/43/952580343.db2.gz SAMYJBSFQCVVNO-GMTAPVOTSA-N -1 1 378.387 1.541 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)[C@H]1CCCCC1(F)F ZINC001571130515 952580347 /nfs/dbraw/zinc/58/03/47/952580347.db2.gz SAMYJBSFQCVVNO-GMTAPVOTSA-N -1 1 378.387 1.541 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCCCN2C(=O)[C@H]2CC2(F)F)n1 ZINC001571130565 952580894 /nfs/dbraw/zinc/58/08/94/952580894.db2.gz TWEHAGHCNSLWJP-GHMZBOCLSA-N -1 1 378.387 1.413 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCCCN2C(=O)[C@H]2CC2(F)F)n1 ZINC001571130565 952580895 /nfs/dbraw/zinc/58/08/95/952580895.db2.gz TWEHAGHCNSLWJP-GHMZBOCLSA-N -1 1 378.387 1.413 20 0 GDADMM O=C(CC1CC(F)(F)C1)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571130905 952582620 /nfs/dbraw/zinc/58/26/20/952582620.db2.gz YEPMNLSNKMSYOJ-NSHDSACASA-N -1 1 378.387 1.495 20 0 GDADMM O=C(CC1CC(F)(F)C1)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571130905 952582623 /nfs/dbraw/zinc/58/26/23/952582623.db2.gz YEPMNLSNKMSYOJ-NSHDSACASA-N -1 1 378.387 1.495 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2CC(F)(F)C2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001571130760 952582629 /nfs/dbraw/zinc/58/26/29/952582629.db2.gz WXRYJQNSYNDSJJ-GXSJLCMTSA-N -1 1 378.387 1.176 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2CC(F)(F)C2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001571130760 952582632 /nfs/dbraw/zinc/58/26/32/952582632.db2.gz WXRYJQNSYNDSJJ-GXSJLCMTSA-N -1 1 378.387 1.176 20 0 GDADMM Cc1ccc(CC(=O)N2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C[C@H]2C)cc1 ZINC001571134082 952584778 /nfs/dbraw/zinc/58/47/78/952584778.db2.gz DFIZPOAYJOIXAY-HIFRSBDPSA-N -1 1 378.440 1.609 20 0 GDADMM Cc1ccc(CC(=O)N2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C[C@H]2C)cc1 ZINC001571134082 952584783 /nfs/dbraw/zinc/58/47/83/952584783.db2.gz DFIZPOAYJOIXAY-HIFRSBDPSA-N -1 1 378.440 1.609 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)N(c3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001571134467 952590824 /nfs/dbraw/zinc/59/08/24/952590824.db2.gz IKPBYUGSMYMNCE-HIFRSBDPSA-N -1 1 378.440 1.752 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)N(c3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001571134467 952590828 /nfs/dbraw/zinc/59/08/28/952590828.db2.gz IKPBYUGSMYMNCE-HIFRSBDPSA-N -1 1 378.440 1.752 20 0 GDADMM Cc1cc(C)cc(C(=O)N2CCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571134717 952594289 /nfs/dbraw/zinc/59/42/89/952594289.db2.gz KIUVALLVKXGOEP-OAHLLOKOSA-N -1 1 378.440 1.412 20 0 GDADMM CCc1ccccc1C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571134987 952598378 /nfs/dbraw/zinc/59/83/78/952598378.db2.gz OIVZYLKOAQNBJV-IUODEOHRSA-N -1 1 378.440 1.214 20 0 GDADMM Cc1cccc(C(=O)N[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)[C@@H]2C)c1 ZINC001571135005 952598631 /nfs/dbraw/zinc/59/86/31/952598631.db2.gz PPBPAUYEWWWSPB-UKRRQHHQSA-N -1 1 378.440 1.752 20 0 GDADMM Cc1cccc(C(=O)N[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)[C@@H]2C)c1 ZINC001571135005 952598634 /nfs/dbraw/zinc/59/86/34/952598634.db2.gz PPBPAUYEWWWSPB-UKRRQHHQSA-N -1 1 378.440 1.752 20 0 GDADMM CCN(C(=O)c1ccc(C)cc1)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571135076 952599517 /nfs/dbraw/zinc/59/95/17/952599517.db2.gz OZJLJUZJYFKUKE-OAHLLOKOSA-N -1 1 378.440 1.706 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)cc1C ZINC001571135180 952600591 /nfs/dbraw/zinc/60/05/91/952600591.db2.gz SOBXTOXGWGEDDH-OAHLLOKOSA-N -1 1 378.440 1.990 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)cc1C ZINC001571135180 952600594 /nfs/dbraw/zinc/60/05/94/952600594.db2.gz SOBXTOXGWGEDDH-OAHLLOKOSA-N -1 1 378.440 1.990 20 0 GDADMM O=C(NCC1CC(Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1)c1cc[nH]c1 ZINC001571142523 952643194 /nfs/dbraw/zinc/64/31/94/952643194.db2.gz TYPCMGIUODVSNX-UHFFFAOYSA-N -1 1 378.849 1.925 20 0 GDADMM Cc1ccc(CCNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)nc1 ZINC001571142698 952645053 /nfs/dbraw/zinc/64/50/53/952645053.db2.gz VWZIBKTVZTXCSV-UHFFFAOYSA-N -1 1 378.845 1.745 20 0 GDADMM Cc1ccc(CCNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)nc1 ZINC001571142698 952645057 /nfs/dbraw/zinc/64/50/57/952645057.db2.gz VWZIBKTVZTXCSV-UHFFFAOYSA-N -1 1 378.845 1.745 20 0 GDADMM CCc1cccc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H]2C)n1 ZINC001571146657 952651557 /nfs/dbraw/zinc/65/15/57/952651557.db2.gz AEJOKHYBJGELBM-WCQYABFASA-N -1 1 379.428 1.329 20 0 GDADMM CCc1cccc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H]2C)n1 ZINC001571146657 952651558 /nfs/dbraw/zinc/65/15/58/952651558.db2.gz AEJOKHYBJGELBM-WCQYABFASA-N -1 1 379.428 1.329 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001571147157 952657284 /nfs/dbraw/zinc/65/72/84/952657284.db2.gz HUNOLIYGRYQRRF-KGLIPLIRSA-N -1 1 379.428 1.177 20 0 GDADMM CN(C[C@H]1CCCCN1C(=O)c1cccnc1)c1nccnc1-c1nnn[n-]1 ZINC001571147176 952657567 /nfs/dbraw/zinc/65/75/67/952657567.db2.gz IDZIVGGRDGGPPV-CQSZACIVSA-N -1 1 379.428 1.183 20 0 GDADMM CN(C[C@H]1CCCCN1C(=O)c1cccnc1)c1nccnc1-c1nn[n-]n1 ZINC001571147176 952657570 /nfs/dbraw/zinc/65/75/70/952657570.db2.gz IDZIVGGRDGGPPV-CQSZACIVSA-N -1 1 379.428 1.183 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](NC(=O)c3ccncc3)[C@@H]2C)n1 ZINC001571147398 952660996 /nfs/dbraw/zinc/66/09/96/952660996.db2.gz LZQLDQQBFYNXKD-JSGCOSHPSA-N -1 1 379.428 1.147 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](NC(=O)c3ccncc3)[C@@H]2C)n1 ZINC001571147398 952660999 /nfs/dbraw/zinc/66/09/99/952660999.db2.gz LZQLDQQBFYNXKD-JSGCOSHPSA-N -1 1 379.428 1.147 20 0 GDADMM CCc1cncc(C(=O)N2CC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571147369 952661060 /nfs/dbraw/zinc/66/10/60/952661060.db2.gz LGYXYYPJUVGNDO-CYBMUJFWSA-N -1 1 379.428 1.188 20 0 GDADMM CCc1cncc(C(=O)N2CC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571147369 952661064 /nfs/dbraw/zinc/66/10/64/952661064.db2.gz LGYXYYPJUVGNDO-CYBMUJFWSA-N -1 1 379.428 1.188 20 0 GDADMM CCc1nc(N[C@H]2CCN(C(=O)c3ccccn3)[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571147578 952662392 /nfs/dbraw/zinc/66/23/92/952662392.db2.gz OIZOLPNHQIZYTI-RYUDHWBXSA-N -1 1 379.428 1.329 20 0 GDADMM CCc1nc(N[C@H]2CCN(C(=O)c3ccccn3)[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571147578 952662394 /nfs/dbraw/zinc/66/23/94/952662394.db2.gz OIZOLPNHQIZYTI-RYUDHWBXSA-N -1 1 379.428 1.329 20 0 GDADMM CCc1cncc(C(=O)N2C[C@@H](C)[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571147867 952664648 /nfs/dbraw/zinc/66/46/48/952664648.db2.gz RFOIKXZDDVQSLO-RISCZKNCSA-N -1 1 379.428 1.187 20 0 GDADMM CCc1cncc(C(=O)N2C[C@@H](C)[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571147867 952664650 /nfs/dbraw/zinc/66/46/50/952664650.db2.gz RFOIKXZDDVQSLO-RISCZKNCSA-N -1 1 379.428 1.187 20 0 GDADMM CC1(C)CN(c2nccnc2-c2nnn[n-]2)CC[C@H]1NC(=O)c1ccccn1 ZINC001571148224 952666211 /nfs/dbraw/zinc/66/62/11/952666211.db2.gz VXEISEANXIQBDN-CYBMUJFWSA-N -1 1 379.428 1.087 20 0 GDADMM CC1(C)CN(c2nccnc2-c2nn[n-]n2)CC[C@H]1NC(=O)c1ccccn1 ZINC001571148224 952666215 /nfs/dbraw/zinc/66/62/15/952666215.db2.gz VXEISEANXIQBDN-CYBMUJFWSA-N -1 1 379.428 1.087 20 0 GDADMM CCOCc1cccc(S(=O)(=O)NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC001571151577 952675663 /nfs/dbraw/zinc/67/56/63/952675663.db2.gz QZJMHRVOWFOZKJ-UHFFFAOYSA-N -1 1 379.467 1.943 20 0 GDADMM Cc1nc(NCc2nnc3n2CC[C@H](C(F)(F)F)C3)cc(-c2nnn[n-]2)n1 ZINC001571152613 952682866 /nfs/dbraw/zinc/68/28/66/952682866.db2.gz HNNWFQADXYLLEV-QMMMGPOBSA-N -1 1 380.338 1.293 20 0 GDADMM Cc1nc(NCc2nnc3n2CC[C@H](C(F)(F)F)C3)cc(-c2nn[n-]n2)n1 ZINC001571152613 952682868 /nfs/dbraw/zinc/68/28/68/952682868.db2.gz HNNWFQADXYLLEV-QMMMGPOBSA-N -1 1 380.338 1.293 20 0 GDADMM O=C(N[C@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1)[C@@H]1CC12CCC2 ZINC001571153672 952687310 /nfs/dbraw/zinc/68/73/10/952687310.db2.gz TYJQZBLMKCUIDK-IUCAKERBSA-N -1 1 379.877 1.862 20 0 GDADMM O=C(N[C@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1)[C@@H]1CC12CCC2 ZINC001571153672 952687318 /nfs/dbraw/zinc/68/73/18/952687318.db2.gz TYJQZBLMKCUIDK-IUCAKERBSA-N -1 1 379.877 1.862 20 0 GDADMM CC(C)(C(=O)N1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1)C(F)F ZINC001571154865 952690446 /nfs/dbraw/zinc/69/04/46/952690446.db2.gz CRPCFDKOQZWFHC-SNVBAGLBSA-N -1 1 380.403 1.597 20 0 GDADMM CC(C)(C(=O)N1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C1)C(F)F ZINC001571154865 952690451 /nfs/dbraw/zinc/69/04/51/952690451.db2.gz CRPCFDKOQZWFHC-SNVBAGLBSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@@H]1C[C@@H](C(=O)Nc2c(-c3nn[n-]n3)nnn2Cc2ccccc2)CCC1=O ZINC001571154845 952690569 /nfs/dbraw/zinc/69/05/69/952690569.db2.gz CHWHCDWAEHPRLC-YPMHNXCESA-N -1 1 380.412 1.450 20 0 GDADMM CC1(Nc2ncccc2-c2nn[nH]n2)CCN(C(=O)c2ncccc2[O-])CC1 ZINC001571155354 952695570 /nfs/dbraw/zinc/69/55/70/952695570.db2.gz OZCUDDBEBVPAJD-UHFFFAOYSA-N -1 1 380.412 1.469 20 0 GDADMM CC(C)(C(=O)N1CCCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1)C(F)F ZINC001571155417 952697050 /nfs/dbraw/zinc/69/70/50/952697050.db2.gz REAYGRAHQCTTOZ-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)(C(=O)N1CCCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1)C(F)F ZINC001571155417 952697055 /nfs/dbraw/zinc/69/70/55/952697055.db2.gz REAYGRAHQCTTOZ-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM CCOc1ccccc1C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571155507 952698234 /nfs/dbraw/zinc/69/82/34/952698234.db2.gz UWVQZRWALGCMOW-GFCCVEGCSA-N -1 1 380.412 1.382 20 0 GDADMM CCOc1ccccc1C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571155507 952698237 /nfs/dbraw/zinc/69/82/37/952698237.db2.gz UWVQZRWALGCMOW-GFCCVEGCSA-N -1 1 380.412 1.382 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@@H](N(C)c3nccnc3-c3nnn[n-]3)C2)ccn1 ZINC001571156601 952702482 /nfs/dbraw/zinc/70/24/82/952702482.db2.gz DTGIMAQFFLTSHY-CQSZACIVSA-N -1 1 379.428 1.101 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@@H](N(C)c3nccnc3-c3nn[n-]n3)C2)ccn1 ZINC001571156601 952702484 /nfs/dbraw/zinc/70/24/84/952702484.db2.gz DTGIMAQFFLTSHY-CQSZACIVSA-N -1 1 379.428 1.101 20 0 GDADMM Cc1cc[nH]c1C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1nccnc1-c1nnn[n-]1)C2 ZINC001571157178 952706878 /nfs/dbraw/zinc/70/68/78/952706878.db2.gz NAKUWFLTBCNDJL-XQQFMLRXSA-N -1 1 379.428 1.081 20 0 GDADMM Cc1cc[nH]c1C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1nccnc1-c1nn[n-]n1)C2 ZINC001571157178 952706881 /nfs/dbraw/zinc/70/68/81/952706881.db2.gz NAKUWFLTBCNDJL-XQQFMLRXSA-N -1 1 379.428 1.081 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCCN(C(=O)c3ncccc3C)C2)n1 ZINC001571157241 952707117 /nfs/dbraw/zinc/70/71/17/952707117.db2.gz NSTGTZUPHVPVRE-ZDUSSCGKSA-N -1 1 379.428 1.385 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCCN(C(=O)c3ncccc3C)C2)n1 ZINC001571157241 952707121 /nfs/dbraw/zinc/70/71/21/952707121.db2.gz NSTGTZUPHVPVRE-ZDUSSCGKSA-N -1 1 379.428 1.385 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H]3CN(C(=O)c4ccco4)CC[C@@H]32)n1 ZINC001571158312 952711579 /nfs/dbraw/zinc/71/15/79/952711579.db2.gz GUTYYHJNLKZIOW-JSGCOSHPSA-N -1 1 380.412 1.299 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H]3CN(C(=O)c4ccco4)CC[C@@H]32)n1 ZINC001571158312 952711584 /nfs/dbraw/zinc/71/15/84/952711584.db2.gz GUTYYHJNLKZIOW-JSGCOSHPSA-N -1 1 380.412 1.299 20 0 GDADMM COc1ccccc1C(=O)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571158498 952712218 /nfs/dbraw/zinc/71/22/18/952712218.db2.gz JPSMULVNVRDZIL-LBPRGKRZSA-N -1 1 380.412 1.240 20 0 GDADMM COc1ccccc1C(=O)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571158498 952712220 /nfs/dbraw/zinc/71/22/20/952712220.db2.gz JPSMULVNVRDZIL-LBPRGKRZSA-N -1 1 380.412 1.240 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H]3CN(C(=O)c4ccco4)C[C@@H]3C2)n1 ZINC001571158670 952713795 /nfs/dbraw/zinc/71/37/95/952713795.db2.gz MATDHSMTNLGAFT-OLZOCXBDSA-N -1 1 380.412 1.157 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H]3CN(C(=O)c4ccco4)C[C@@H]3C2)n1 ZINC001571158670 952713799 /nfs/dbraw/zinc/71/37/99/952713799.db2.gz MATDHSMTNLGAFT-OLZOCXBDSA-N -1 1 380.412 1.157 20 0 GDADMM Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nnn[n-]2)c(C)o1 ZINC001571158714 952713978 /nfs/dbraw/zinc/71/39/78/952713978.db2.gz NEVUZPQQIOFYFY-BETUJISGSA-N -1 1 380.412 1.360 20 0 GDADMM Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nn[n-]n2)c(C)o1 ZINC001571158714 952713979 /nfs/dbraw/zinc/71/39/79/952713979.db2.gz NEVUZPQQIOFYFY-BETUJISGSA-N -1 1 380.412 1.360 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCN3c3cnc(-c4nnn[n-]4)cn3)C2)o1 ZINC001571158728 952714787 /nfs/dbraw/zinc/71/47/87/952714787.db2.gz NMPVIKIUXNBIDM-OCCSQVGLSA-N -1 1 380.412 1.299 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCN3c3cnc(-c4nn[n-]n4)cn3)C2)o1 ZINC001571158728 952714789 /nfs/dbraw/zinc/71/47/89/952714789.db2.gz NMPVIKIUXNBIDM-OCCSQVGLSA-N -1 1 380.412 1.299 20 0 GDADMM Cc1cc(C(=O)N[C@]23CCC[C@H]2CN(c2nccnc2-c2nnn[n-]2)C3)co1 ZINC001571159246 952717592 /nfs/dbraw/zinc/71/75/92/952717592.db2.gz ROQYVQUGBFHKCI-UGSOOPFHSA-N -1 1 380.412 1.347 20 0 GDADMM Cc1cc(C(=O)N[C@]23CCC[C@H]2CN(c2nccnc2-c2nn[n-]n2)C3)co1 ZINC001571159246 952717602 /nfs/dbraw/zinc/71/76/02/952717602.db2.gz ROQYVQUGBFHKCI-UGSOOPFHSA-N -1 1 380.412 1.347 20 0 GDADMM COc1ccc(C(=O)N2CCC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)cc1 ZINC001571159473 952719428 /nfs/dbraw/zinc/71/94/28/952719428.db2.gz VXSAXAMHRQOCJH-CYBMUJFWSA-N -1 1 380.412 1.382 20 0 GDADMM COc1ccc(C(=O)N2CCC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)cc1 ZINC001571159473 952719433 /nfs/dbraw/zinc/71/94/33/952719433.db2.gz VXSAXAMHRQOCJH-CYBMUJFWSA-N -1 1 380.412 1.382 20 0 GDADMM Cc1cccnc1C(=O)NCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571159753 952722255 /nfs/dbraw/zinc/72/22/55/952722255.db2.gz WFZUWNFEVZXIEO-UHFFFAOYSA-N -1 1 379.428 1.007 20 0 GDADMM Cc1cccnc1C(=O)NCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571159753 952722257 /nfs/dbraw/zinc/72/22/57/952722257.db2.gz WFZUWNFEVZXIEO-UHFFFAOYSA-N -1 1 379.428 1.007 20 0 GDADMM O=C(N[C@H]1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1O ZINC001571161432 952732703 /nfs/dbraw/zinc/73/27/03/952732703.db2.gz VNRXQWFMSJVGNO-NEPJUHHUSA-N -1 1 380.412 1.373 20 0 GDADMM O=C(N[C@H]1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1O ZINC001571161432 952732706 /nfs/dbraw/zinc/73/27/06/952732706.db2.gz VNRXQWFMSJVGNO-NEPJUHHUSA-N -1 1 380.412 1.373 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ocnc1C1CC1 ZINC001571169956 952780574 /nfs/dbraw/zinc/78/05/74/952780574.db2.gz AKYDEZBWUXOFIN-GXSJLCMTSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ocnc1C1CC1 ZINC001571169956 952780578 /nfs/dbraw/zinc/78/05/78/952780578.db2.gz AKYDEZBWUXOFIN-GXSJLCMTSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)CN1C(=O)c1cc(C2CC2)no1 ZINC001571170779 952788751 /nfs/dbraw/zinc/78/87/51/952788751.db2.gz LKXMFAXNGSOPGZ-ONGXEEELSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)CN1C(=O)c1cc(C2CC2)no1 ZINC001571170779 952788753 /nfs/dbraw/zinc/78/87/53/952788753.db2.gz LKXMFAXNGSOPGZ-ONGXEEELSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@H]1[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCN1C(=O)c1ccon1 ZINC001571171541 952793993 /nfs/dbraw/zinc/79/39/93/952793993.db2.gz BRXVPYIISGQILV-NKWVEPMBSA-N -1 1 380.821 1.680 20 0 GDADMM C[C@H]1[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCN1C(=O)c1ccon1 ZINC001571171541 952793997 /nfs/dbraw/zinc/79/39/97/952793997.db2.gz BRXVPYIISGQILV-NKWVEPMBSA-N -1 1 380.821 1.680 20 0 GDADMM O=C(C1=CCCC1)N1C[C@@H]2CCC[C@@H](Nc3nccnc3-c3nnn[n-]3)[C@H]2C1 ZINC001571171754 952797280 /nfs/dbraw/zinc/79/72/80/952797280.db2.gz FWCOSZQLMZSKLY-SOUVJXGZSA-N -1 1 380.456 1.806 20 0 GDADMM O=C(C1=CCCC1)N1C[C@@H]2CCC[C@@H](Nc3nccnc3-c3nn[n-]n3)[C@H]2C1 ZINC001571171754 952797286 /nfs/dbraw/zinc/79/72/86/952797286.db2.gz FWCOSZQLMZSKLY-SOUVJXGZSA-N -1 1 380.456 1.806 20 0 GDADMM C[C@@H]1C[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CN1C(=O)c1cocn1 ZINC001571172196 952802297 /nfs/dbraw/zinc/80/22/97/952802297.db2.gz OXQVIYPMUHAEFQ-RNFRBKRXSA-N -1 1 380.821 1.680 20 0 GDADMM O=C(C1CC2(CC2)C1)N1C[C@H]2CCC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571172245 952804303 /nfs/dbraw/zinc/80/43/03/952804303.db2.gz QMEGIVFIMLQASO-OKILXGFUSA-N -1 1 380.456 1.417 20 0 GDADMM O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)[C@@H]1CC12CC2 ZINC001571172560 952807730 /nfs/dbraw/zinc/80/77/30/952807730.db2.gz XETJLOGYVWUHCY-CRWXNKLISA-N -1 1 380.456 1.320 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H](Nc3nc(-c4nn[n-]n4)c(Cl)s3)C2)no1 ZINC001571172841 952809609 /nfs/dbraw/zinc/80/96/09/952809609.db2.gz ZFPJXCOSFRSOQA-SSDOTTSWSA-N -1 1 380.821 1.600 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@@H](NC(=O)c3cc(C4CC4)on3)C2)n1 ZINC001571174792 952813594 /nfs/dbraw/zinc/81/35/94/952813594.db2.gz IGYBMCFCXGFUED-PHIMTYICSA-N -1 1 381.400 1.203 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@@H](NC(=O)c3cc(C4CC4)on3)C2)n1 ZINC001571174792 952813602 /nfs/dbraw/zinc/81/36/02/952813602.db2.gz IGYBMCFCXGFUED-PHIMTYICSA-N -1 1 381.400 1.203 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1coc(C2CCC2)n1 ZINC001571176299 952831087 /nfs/dbraw/zinc/83/10/87/952831087.db2.gz OMXHQEQZQMBTDP-PHIMTYICSA-N -1 1 381.400 1.285 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1coc(C2CCC2)n1 ZINC001571176299 952831089 /nfs/dbraw/zinc/83/10/89/952831089.db2.gz OMXHQEQZQMBTDP-PHIMTYICSA-N -1 1 381.400 1.285 20 0 GDADMM CCc1[nH]ccc1C(=O)NC[C@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571184077 952886921 /nfs/dbraw/zinc/88/69/21/952886921.db2.gz PTMFHCCWYYNUMQ-GFCCVEGCSA-N -1 1 381.444 1.336 20 0 GDADMM CCc1[nH]ccc1C(=O)NC[C@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571184077 952886927 /nfs/dbraw/zinc/88/69/27/952886927.db2.gz PTMFHCCWYYNUMQ-GFCCVEGCSA-N -1 1 381.444 1.336 20 0 GDADMM CCc1[nH]ccc1C(=O)N[C@@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571184279 952890978 /nfs/dbraw/zinc/89/09/78/952890978.db2.gz VKPKFNYCSMMWTO-NWDGAFQWSA-N -1 1 381.444 1.700 20 0 GDADMM CCc1[nH]ccc1C(=O)N[C@@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571184279 952890981 /nfs/dbraw/zinc/89/09/81/952890981.db2.gz VKPKFNYCSMMWTO-NWDGAFQWSA-N -1 1 381.444 1.700 20 0 GDADMM CCn1c(C)cc(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c1C ZINC001571184391 952891742 /nfs/dbraw/zinc/89/17/42/952891742.db2.gz YDSXALZLPUDTLA-ZDUSSCGKSA-N -1 1 381.444 1.422 20 0 GDADMM CCn1c(C)cc(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c1C ZINC001571184391 952891747 /nfs/dbraw/zinc/89/17/47/952891747.db2.gz YDSXALZLPUDTLA-ZDUSSCGKSA-N -1 1 381.444 1.422 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CCC[C@@H](CN(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001571185329 952900786 /nfs/dbraw/zinc/90/07/86/952900786.db2.gz KVAHDAPNTYMUKD-ZDUSSCGKSA-N -1 1 381.444 1.282 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CCC[C@@H](CN(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001571185329 952900791 /nfs/dbraw/zinc/90/07/91/952900791.db2.gz KVAHDAPNTYMUKD-ZDUSSCGKSA-N -1 1 381.444 1.282 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CCC[C@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571185236 952901084 /nfs/dbraw/zinc/90/10/84/952901084.db2.gz JXYBSYOYZRGTQP-AAEUAGOBSA-N -1 1 381.444 1.646 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CCC[C@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571185236 952901089 /nfs/dbraw/zinc/90/10/89/952901089.db2.gz JXYBSYOYZRGTQP-AAEUAGOBSA-N -1 1 381.444 1.646 20 0 GDADMM CCn1ccc(C(=O)NC[C@@H]2CCCN2c2nccnc2-c2nnn[n-]2)c1C ZINC001571185735 952903353 /nfs/dbraw/zinc/90/33/53/952903353.db2.gz OZAXQHDGEGZNGV-ZDUSSCGKSA-N -1 1 381.444 1.185 20 0 GDADMM CCn1ccc(C(=O)NC[C@@H]2CCCN2c2nccnc2-c2nn[n-]n2)c1C ZINC001571185735 952903356 /nfs/dbraw/zinc/90/33/56/952903356.db2.gz OZAXQHDGEGZNGV-ZDUSSCGKSA-N -1 1 381.444 1.185 20 0 GDADMM CCn1cccc1C(=O)N1C[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1 ZINC001571186648 952908335 /nfs/dbraw/zinc/90/83/35/952908335.db2.gz ZIGFWWVRHXKABD-CHWSQXEVSA-N -1 1 381.444 1.298 20 0 GDADMM CCn1cccc1C(=O)N1C[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1 ZINC001571186648 952908340 /nfs/dbraw/zinc/90/83/40/952908340.db2.gz ZIGFWWVRHXKABD-CHWSQXEVSA-N -1 1 381.444 1.298 20 0 GDADMM Cc1ccn(C)c1C(=O)NC[C@@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571188386 952913221 /nfs/dbraw/zinc/91/32/21/952913221.db2.gz KCIPSCGQRNVCTC-ZDUSSCGKSA-N -1 1 381.444 1.093 20 0 GDADMM Cc1cc(C)c(C(=O)NC2CCC(Nc3ccnc(-c4nn[n-]n4)n3)CC2)[nH]1 ZINC001571188442 952914089 /nfs/dbraw/zinc/91/40/89/952914089.db2.gz KVNBGWUPCOMVKH-UHFFFAOYSA-N -1 1 381.444 1.177 20 0 GDADMM Cc1ccn(C)c1C(=O)N(C)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571188824 952920621 /nfs/dbraw/zinc/92/06/21/952920621.db2.gz NIVNVWFUMHYUQZ-UHFFFAOYSA-N -1 1 381.444 1.045 20 0 GDADMM Cc1ccn(C)c1C(=O)N(C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571188824 952920624 /nfs/dbraw/zinc/92/06/24/952920624.db2.gz NIVNVWFUMHYUQZ-UHFFFAOYSA-N -1 1 381.444 1.045 20 0 GDADMM O=C(N[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1)C1=CCOCC1 ZINC001571191713 952946962 /nfs/dbraw/zinc/94/69/62/952946962.db2.gz RJMXPHCQBNXMNR-SECBINFHSA-N -1 1 381.849 1.018 20 0 GDADMM O=C(N[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1)C1=CCOCC1 ZINC001571191713 952946966 /nfs/dbraw/zinc/94/69/66/952946966.db2.gz RJMXPHCQBNXMNR-SECBINFHSA-N -1 1 381.849 1.018 20 0 GDADMM CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001571194684 952967048 /nfs/dbraw/zinc/96/70/48/952967048.db2.gz QRLRLONPDYLFCE-JTQLQIEISA-N -1 1 382.350 1.778 20 0 GDADMM Cc1ccc(F)c(C(=O)N2C[C@@H](C)[C@H](Nc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571195723 952979465 /nfs/dbraw/zinc/97/94/65/952979465.db2.gz FJNNLOHBQKIDNG-BXUZGUMPSA-N -1 1 382.403 1.677 20 0 GDADMM Cc1ccc(F)c(C(=O)N2C[C@@H](C)[C@H](Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571195723 952979469 /nfs/dbraw/zinc/97/94/69/952979469.db2.gz FJNNLOHBQKIDNG-BXUZGUMPSA-N -1 1 382.403 1.677 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H](N(C)c3ccnc(-c4nn[n-]n4)n3)C2)cc1F ZINC001571195755 952979545 /nfs/dbraw/zinc/97/95/45/952979545.db2.gz FRPFESBBGJZKFN-ZDUSSCGKSA-N -1 1 382.403 1.455 20 0 GDADMM CC1(C)CN(C(=O)c2ccccc2F)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571196096 952980024 /nfs/dbraw/zinc/98/00/24/952980024.db2.gz HIKUKISWIUCAFF-CYBMUJFWSA-N -1 1 382.403 1.759 20 0 GDADMM CC1(C)CN(C(=O)c2ccccc2F)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571196096 952980030 /nfs/dbraw/zinc/98/00/30/952980030.db2.gz HIKUKISWIUCAFF-CYBMUJFWSA-N -1 1 382.403 1.759 20 0 GDADMM Cc1cccc(C(=O)NC[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)c1F ZINC001571196723 952983771 /nfs/dbraw/zinc/98/37/71/952983771.db2.gz MSLYTCZOFXSBSQ-LBPRGKRZSA-N -1 1 382.403 1.361 20 0 GDADMM Cc1cccc(C(=O)NC[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)c1F ZINC001571196723 952983775 /nfs/dbraw/zinc/98/37/75/952983775.db2.gz MSLYTCZOFXSBSQ-LBPRGKRZSA-N -1 1 382.403 1.361 20 0 GDADMM Cc1cccc(F)c1C(=O)N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571197253 952987072 /nfs/dbraw/zinc/98/70/72/952987072.db2.gz UYLVRMJNBCOQNL-UHFFFAOYSA-N -1 1 382.403 1.821 20 0 GDADMM Cc1cccc(F)c1C(=O)N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571197253 952987076 /nfs/dbraw/zinc/98/70/76/952987076.db2.gz UYLVRMJNBCOQNL-UHFFFAOYSA-N -1 1 382.403 1.821 20 0 GDADMM Cc1cccc(C(=O)N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1F ZINC001571197389 952989540 /nfs/dbraw/zinc/98/95/40/952989540.db2.gz YTQAVVWXFGUHHR-GFCCVEGCSA-N -1 1 382.403 1.821 20 0 GDADMM Cc1cccc(C(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1F ZINC001571197389 952989544 /nfs/dbraw/zinc/98/95/44/952989544.db2.gz YTQAVVWXFGUHHR-GFCCVEGCSA-N -1 1 382.403 1.821 20 0 GDADMM Cc1cc(C(=O)N2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C[C@@H]2C)ccc1F ZINC001571197398 952989559 /nfs/dbraw/zinc/98/95/59/952989559.db2.gz ZDEDPITVKNSECI-AAEUAGOBSA-N -1 1 382.403 1.819 20 0 GDADMM Cc1cc(C(=O)N2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C[C@@H]2C)ccc1F ZINC001571197398 952989567 /nfs/dbraw/zinc/98/95/67/952989567.db2.gz ZDEDPITVKNSECI-AAEUAGOBSA-N -1 1 382.403 1.819 20 0 GDADMM CN(c1cncc(-c2nnn[n-]2)n1)C1CCN(C(=O)CCc2ccco2)CC1 ZINC001571198591 952992047 /nfs/dbraw/zinc/99/20/47/952992047.db2.gz DJYCRFDDENSUED-UHFFFAOYSA-N -1 1 382.428 1.310 20 0 GDADMM CN(c1cncc(-c2nn[n-]n2)n1)C1CCN(C(=O)CCc2ccco2)CC1 ZINC001571198591 952992052 /nfs/dbraw/zinc/99/20/52/952992052.db2.gz DJYCRFDDENSUED-UHFFFAOYSA-N -1 1 382.428 1.310 20 0 GDADMM CCc1occc1C(=O)N(CC)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571198780 952994246 /nfs/dbraw/zinc/99/42/46/952994246.db2.gz GJEUSCIMUCRORT-LBPRGKRZSA-N -1 1 382.428 1.553 20 0 GDADMM CCc1occc1C(=O)N(CC)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571198780 952994249 /nfs/dbraw/zinc/99/42/49/952994249.db2.gz GJEUSCIMUCRORT-LBPRGKRZSA-N -1 1 382.428 1.553 20 0 GDADMM CCc1occc1C(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001571199305 952999606 /nfs/dbraw/zinc/99/96/06/952999606.db2.gz PICAZHXECVLZTE-VXGBXAGGSA-N -1 1 382.428 1.314 20 0 GDADMM CCc1occc1C(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001571199305 952999612 /nfs/dbraw/zinc/99/96/12/952999612.db2.gz PICAZHXECVLZTE-VXGBXAGGSA-N -1 1 382.428 1.314 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H]2CNC(=O)c2coc(C)c2)n1 ZINC001571199583 953001497 /nfs/dbraw/zinc/00/14/97/953001497.db2.gz VXTWLLNRFXEVQA-CYBMUJFWSA-N -1 1 382.428 1.519 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H]2CNC(=O)c2coc(C)c2)n1 ZINC001571199583 953001504 /nfs/dbraw/zinc/00/15/04/953001504.db2.gz VXTWLLNRFXEVQA-CYBMUJFWSA-N -1 1 382.428 1.519 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@H]2CCCN2C(=O)Cc2ccco2)n1 ZINC001571199637 953003428 /nfs/dbraw/zinc/00/34/28/953003428.db2.gz XDTLWCPGNQOJMG-CYBMUJFWSA-N -1 1 382.428 1.228 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@H]2CCCN2C(=O)Cc2ccco2)n1 ZINC001571199637 953003429 /nfs/dbraw/zinc/00/34/29/953003429.db2.gz XDTLWCPGNQOJMG-CYBMUJFWSA-N -1 1 382.428 1.228 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2(C)C)o1 ZINC001571200052 953006944 /nfs/dbraw/zinc/00/69/44/953006944.db2.gz ABPFYZNWUHJMOI-CQSZACIVSA-N -1 1 382.428 1.593 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2(C)C)o1 ZINC001571200052 953006946 /nfs/dbraw/zinc/00/69/46/953006946.db2.gz ABPFYZNWUHJMOI-CQSZACIVSA-N -1 1 382.428 1.593 20 0 GDADMM CC(C)(C)c1ccc(C(=O)NCCC(=O)Nc2c[nH]nc2-c2nn[n-]n2)cc1 ZINC001571200833 953013107 /nfs/dbraw/zinc/01/31/07/953013107.db2.gz MGPHNOZEZWLFDY-UHFFFAOYSA-N -1 1 382.428 1.646 20 0 GDADMM CC(C)c1occc1C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571201157 953014647 /nfs/dbraw/zinc/01/46/47/953014647.db2.gz OJRQZTGQFPNKEJ-LBPRGKRZSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1occc1C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571201157 953014649 /nfs/dbraw/zinc/01/46/49/953014649.db2.gz OJRQZTGQFPNKEJ-LBPRGKRZSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1ccoc1C(=O)NC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571201134 953015646 /nfs/dbraw/zinc/01/56/46/953015646.db2.gz NOEZLHHRVITAHS-GFCCVEGCSA-N -1 1 382.428 1.629 20 0 GDADMM CC(C)c1ccoc1C(=O)NC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571201134 953015650 /nfs/dbraw/zinc/01/56/50/953015650.db2.gz NOEZLHHRVITAHS-GFCCVEGCSA-N -1 1 382.428 1.629 20 0 GDADMM Cc1ccoc1CC(=O)N[C@H]1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571201365 953017346 /nfs/dbraw/zinc/01/73/46/953017346.db2.gz LAXGPPDDUDPOIT-STQMWFEESA-N -1 1 382.428 1.498 20 0 GDADMM Cc1ccoc1CC(=O)N[C@H]1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571201365 953017349 /nfs/dbraw/zinc/01/73/49/953017349.db2.gz LAXGPPDDUDPOIT-STQMWFEESA-N -1 1 382.428 1.498 20 0 GDADMM CC(C)c1ccoc1C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571201930 953020651 /nfs/dbraw/zinc/02/06/51/953020651.db2.gz TXKZRQLXZLDDGU-UHFFFAOYSA-N -1 1 382.428 1.726 20 0 GDADMM CC(C)c1ccoc1C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571201930 953020654 /nfs/dbraw/zinc/02/06/54/953020654.db2.gz TXKZRQLXZLDDGU-UHFFFAOYSA-N -1 1 382.428 1.726 20 0 GDADMM O=C(N[C@H]1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cccc(F)c1 ZINC001571202379 953024299 /nfs/dbraw/zinc/02/42/99/953024299.db2.gz VWQRDGVWMSEWLM-KBPBESRZSA-N -1 1 382.403 1.949 20 0 GDADMM O=C(N[C@H]1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cccc(F)c1 ZINC001571202379 953024303 /nfs/dbraw/zinc/02/43/03/953024303.db2.gz VWQRDGVWMSEWLM-KBPBESRZSA-N -1 1 382.403 1.949 20 0 GDADMM Cc1coc(C)c1C(=O)N1CC[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571202768 953029153 /nfs/dbraw/zinc/02/91/53/953029153.db2.gz YGPYJSBLGBIIPF-ZDUSSCGKSA-N -1 1 382.428 1.749 20 0 GDADMM Cc1coc(C)c1C(=O)N1CC[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571202768 953029158 /nfs/dbraw/zinc/02/91/58/953029158.db2.gz YGPYJSBLGBIIPF-ZDUSSCGKSA-N -1 1 382.428 1.749 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@](C)(CNc3ccnc(-c4nn[n-]n4)n3)C2)oc1C ZINC001571202823 953029278 /nfs/dbraw/zinc/02/92/78/953029278.db2.gz ZKCVGQFIKHDZQA-SFHVURJKSA-N -1 1 382.428 1.253 20 0 GDADMM CC(C)n1cnc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)[C@H]2C)c1 ZINC001571205132 953035853 /nfs/dbraw/zinc/03/58/53/953035853.db2.gz FYOZBRAARFYTAB-VXGBXAGGSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1cnc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)[C@H]2C)c1 ZINC001571205132 953035855 /nfs/dbraw/zinc/03/58/55/953035855.db2.gz FYOZBRAARFYTAB-VXGBXAGGSA-N -1 1 382.432 1.149 20 0 GDADMM CCc1nc(NC[C@@H]2CCCCN2C(=O)c2cn[nH]c2)cc(-c2nnn[n-]2)n1 ZINC001571205660 953040517 /nfs/dbraw/zinc/04/05/17/953040517.db2.gz MPVAWXPOSUGZNZ-LBPRGKRZSA-N -1 1 382.432 1.049 20 0 GDADMM CCc1nc(NC[C@@H]2CCCCN2C(=O)c2cn[nH]c2)cc(-c2nn[n-]n2)n1 ZINC001571205660 953040522 /nfs/dbraw/zinc/04/05/22/953040522.db2.gz MPVAWXPOSUGZNZ-LBPRGKRZSA-N -1 1 382.432 1.049 20 0 GDADMM CCc1cc(C(=O)N2CCCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)[nH]n1 ZINC001571206039 953046311 /nfs/dbraw/zinc/04/63/11/953046311.db2.gz RFTLWUFSPWJKBH-LBPRGKRZSA-N -1 1 382.432 1.049 20 0 GDADMM Cc1oc(C)c(C(=O)N(C)[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1C ZINC001571206935 953057689 /nfs/dbraw/zinc/05/76/89/953057689.db2.gz UJOAIKDQISTPQY-ZDUSSCGKSA-N -1 1 382.428 1.526 20 0 GDADMM Cc1nc(C)c(C(=O)N2CCC[C@H]2CNc2nc(C)cc(-c3nn[n-]n3)n2)[nH]1 ZINC001571207032 953058152 /nfs/dbraw/zinc/05/81/52/953058152.db2.gz LMNPHTVPGNCUDO-LBPRGKRZSA-N -1 1 382.432 1.022 20 0 GDADMM Cc1oc(C)c(C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)c1C ZINC001571207398 953062439 /nfs/dbraw/zinc/06/24/39/953062439.db2.gz ZUQPOGXAEILFGS-CYBMUJFWSA-N -1 1 382.428 1.574 20 0 GDADMM Cc1oc(C)c(C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)c1C ZINC001571207398 953062442 /nfs/dbraw/zinc/06/24/42/953062442.db2.gz ZUQPOGXAEILFGS-CYBMUJFWSA-N -1 1 382.428 1.574 20 0 GDADMM Cc1c(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)cnn1C(C)C ZINC001571207408 953062841 /nfs/dbraw/zinc/06/28/41/953062841.db2.gz QYTNYYVCTPGYHV-GFCCVEGCSA-N -1 1 382.432 1.069 20 0 GDADMM Cc1c(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)cnn1C(C)C ZINC001571207408 953062842 /nfs/dbraw/zinc/06/28/42/953062842.db2.gz QYTNYYVCTPGYHV-GFCCVEGCSA-N -1 1 382.432 1.069 20 0 GDADMM O=C(N[C@@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2)c1ccsc1 ZINC001571209719 953066706 /nfs/dbraw/zinc/06/67/06/953066706.db2.gz BSCZYWRQKKKQLR-GFCCVEGCSA-N -1 1 382.453 1.507 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H]2[C@H](CCN2c2cncc(-c3nnn[n-]3)n2)C1)C1CC1 ZINC001571211728 953080686 /nfs/dbraw/zinc/08/06/86/953080686.db2.gz DPMHRFGZTHZSSX-IUODEOHRSA-N -1 1 382.472 1.520 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H]2[C@H](CCN2c2cncc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001571211728 953080688 /nfs/dbraw/zinc/08/06/88/953080688.db2.gz DPMHRFGZTHZSSX-IUODEOHRSA-N -1 1 382.472 1.520 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C3CC3)C[C@H]2C)n1 ZINC001571211773 953080800 /nfs/dbraw/zinc/08/08/00/953080800.db2.gz GDRGYSIZNAJQMQ-QPKOPYBWSA-N -1 1 382.472 1.518 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C3CC3)C[C@H]2C)n1 ZINC001571211773 953080803 /nfs/dbraw/zinc/08/08/03/953080803.db2.gz GDRGYSIZNAJQMQ-QPKOPYBWSA-N -1 1 382.472 1.518 20 0 GDADMM C[C@H]1C[C@H](C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)C[C@@H](C)C1 ZINC001571212041 953082562 /nfs/dbraw/zinc/08/25/62/953082562.db2.gz HQRWHEHFQLWWTC-ZIRZDQJLSA-N -1 1 382.472 1.280 20 0 GDADMM C[C@H]1C[C@H](C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)C[C@@H](C)C1 ZINC001571212041 953082566 /nfs/dbraw/zinc/08/25/66/953082566.db2.gz HQRWHEHFQLWWTC-ZIRZDQJLSA-N -1 1 382.472 1.280 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571212060 953083821 /nfs/dbraw/zinc/08/38/21/953083821.db2.gz IDCPUUOEEAXADT-BARDWOONSA-N -1 1 382.472 1.519 20 0 GDADMM CC1(C(=O)N2CC[C@@H]3[C@H](CCN3c3cnc(-c4nnn[n-]4)cn3)C2)CCCC1 ZINC001571212082 953083877 /nfs/dbraw/zinc/08/38/77/953083877.db2.gz IPCVYAMBTGPXQO-UKRRQHHQSA-N -1 1 382.472 1.664 20 0 GDADMM CC1(C(=O)N2CC[C@@H]3[C@H](CCN3c3cnc(-c4nn[n-]n4)cn3)C2)CCCC1 ZINC001571212082 953083882 /nfs/dbraw/zinc/08/38/82/953083882.db2.gz IPCVYAMBTGPXQO-UKRRQHHQSA-N -1 1 382.472 1.664 20 0 GDADMM C[C@@]1(CNc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)C2CC3(CCC3)C2)C1 ZINC001571212260 953086077 /nfs/dbraw/zinc/08/60/77/953086077.db2.gz KFCCBQZELHSSTJ-SFHVURJKSA-N -1 1 382.472 1.888 20 0 GDADMM C[C@@]1(CNc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)C2CC3(CCC3)C2)C1 ZINC001571212260 953086080 /nfs/dbraw/zinc/08/60/80/953086080.db2.gz KFCCBQZELHSSTJ-SFHVURJKSA-N -1 1 382.472 1.888 20 0 GDADMM CC(C)(C)C12CC(C(=O)N3CC[C@@H](Nc4cncc(-c5nnn[n-]5)n4)C3)(C1)C2 ZINC001571212909 953091700 /nfs/dbraw/zinc/09/17/00/953091700.db2.gz OASJWLBXWCQRET-PIHIASKNSA-N -1 1 382.472 1.886 20 0 GDADMM CC(C)(C)C12CC(C(=O)N3CC[C@@H](Nc4cncc(-c5nn[n-]n5)n4)C3)(C1)C2 ZINC001571212909 953091703 /nfs/dbraw/zinc/09/17/03/953091703.db2.gz OASJWLBXWCQRET-PIHIASKNSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2CC3(CCC3)C2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571212964 953091848 /nfs/dbraw/zinc/09/18/48/953091848.db2.gz OMBQXRBZQRLFFM-OCCSQVGLSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2CC3(CCC3)C2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571212964 953091854 /nfs/dbraw/zinc/09/18/54/953091854.db2.gz OMBQXRBZQRLFFM-OCCSQVGLSA-N -1 1 382.472 1.711 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H]3CN(C(=O)[C@@H]4C[C@H]4CC)C[C@@H]3C2)n1 ZINC001571213222 953093368 /nfs/dbraw/zinc/09/33/68/953093368.db2.gz PUUUFSHHZIRXCD-YIYPIFLZSA-N -1 1 382.472 1.160 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H]3CN(C(=O)[C@@H]4C[C@H]4CC)C[C@@H]3C2)n1 ZINC001571213222 953093373 /nfs/dbraw/zinc/09/33/73/953093373.db2.gz PUUUFSHHZIRXCD-YIYPIFLZSA-N -1 1 382.472 1.160 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N1CC[C@@]2(C1)CCCN(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001571213284 953094348 /nfs/dbraw/zinc/09/43/48/953094348.db2.gz QYWHGELMWIILOS-YJYMSZOUSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N1CC[C@@]2(C1)CCCN(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001571213284 953094352 /nfs/dbraw/zinc/09/43/52/953094352.db2.gz QYWHGELMWIILOS-YJYMSZOUSA-N -1 1 382.472 1.522 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CC2(C)C)n1 ZINC001571213665 953096817 /nfs/dbraw/zinc/09/68/17/953096817.db2.gz STCZJNCIDJADFC-FRRDWIJNSA-N -1 1 382.472 1.445 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CC2(C)C)n1 ZINC001571213665 953096822 /nfs/dbraw/zinc/09/68/22/953096822.db2.gz STCZJNCIDJADFC-FRRDWIJNSA-N -1 1 382.472 1.445 20 0 GDADMM O=C(NC[C@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1)C1CC2(CCC2)C1 ZINC001571216886 953104422 /nfs/dbraw/zinc/10/44/22/953104422.db2.gz BNAHHQUQOPMOPY-CQSZACIVSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(NC[C@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1)C1CC2(CCC2)C1 ZINC001571216886 953104427 /nfs/dbraw/zinc/10/44/27/953104427.db2.gz BNAHHQUQOPMOPY-CQSZACIVSA-N -1 1 382.472 1.712 20 0 GDADMM O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCCC[C@@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001571217330 953107526 /nfs/dbraw/zinc/10/75/26/953107526.db2.gz FRCCXHBQHILQIF-CBBWQLFWSA-N -1 1 382.472 1.886 20 0 GDADMM O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCCC[C@@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001571217330 953107532 /nfs/dbraw/zinc/10/75/32/953107532.db2.gz FRCCXHBQHILQIF-CBBWQLFWSA-N -1 1 382.472 1.886 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1)c1ccncc1F ZINC001571218600 953116870 /nfs/dbraw/zinc/11/68/70/953116870.db2.gz CATUCDYZIARPAI-QWRGUYRKSA-N -1 1 383.391 1.201 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1)c1ccncc1F ZINC001571218600 953116872 /nfs/dbraw/zinc/11/68/72/953116872.db2.gz CATUCDYZIARPAI-QWRGUYRKSA-N -1 1 383.391 1.201 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCN(C(=O)c3ncccc3F)C2)n1 ZINC001571219279 953124460 /nfs/dbraw/zinc/12/44/60/953124460.db2.gz NJERCVNYQYIMPL-NSHDSACASA-N -1 1 383.391 1.073 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCN(C(=O)c3ncccc3F)C2)n1 ZINC001571219279 953124465 /nfs/dbraw/zinc/12/44/65/953124465.db2.gz NJERCVNYQYIMPL-NSHDSACASA-N -1 1 383.391 1.073 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571222057 953130815 /nfs/dbraw/zinc/13/08/15/953130815.db2.gz BBIBAENOLZLPFZ-LLVKDONJSA-N -1 1 383.416 1.024 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571222057 953130817 /nfs/dbraw/zinc/13/08/17/953130817.db2.gz BBIBAENOLZLPFZ-LLVKDONJSA-N -1 1 383.416 1.024 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccon2)[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001571222076 953130891 /nfs/dbraw/zinc/13/08/91/953130891.db2.gz BISKKHINSLTYFF-AAEUAGOBSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccon2)[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001571222076 953130895 /nfs/dbraw/zinc/13/08/95/953130895.db2.gz BISKKHINSLTYFF-AAEUAGOBSA-N -1 1 383.416 1.388 20 0 GDADMM CC(C)c1ocnc1C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571222334 953132893 /nfs/dbraw/zinc/13/28/93/953132893.db2.gz GMFJHJWGYUOTMW-NSHDSACASA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1ocnc1C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571222334 953132899 /nfs/dbraw/zinc/13/28/99/953132899.db2.gz GMFJHJWGYUOTMW-NSHDSACASA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1oncc1C(=O)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571224148 953149607 /nfs/dbraw/zinc/14/96/07/953149607.db2.gz ZJFVZNSMZJCWJE-LLVKDONJSA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1oncc1C(=O)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571224148 953149609 /nfs/dbraw/zinc/14/96/09/953149609.db2.gz ZJFVZNSMZJCWJE-LLVKDONJSA-N -1 1 383.416 1.485 20 0 GDADMM Cc1cc(C(=O)N2C[C@@H](C)[C@@H](CNc3nc(C)cc(-c4nnn[n-]4)n3)C2)no1 ZINC001571224686 953150693 /nfs/dbraw/zinc/15/06/93/953150693.db2.gz CURYNYIYEUFLJP-SKDRFNHKSA-N -1 1 383.416 1.082 20 0 GDADMM Cc1cc(C(=O)N2C[C@@H](C)[C@@H](CNc3nc(C)cc(-c4nn[n-]n4)n3)C2)no1 ZINC001571224686 953150695 /nfs/dbraw/zinc/15/06/95/953150695.db2.gz CURYNYIYEUFLJP-SKDRFNHKSA-N -1 1 383.416 1.082 20 0 GDADMM Cc1nc(C(=O)N2CCC[C@H]2CN(C)c2ccnc(-c3nn[n-]n3)n2)c(C)o1 ZINC001571226456 953156105 /nfs/dbraw/zinc/15/61/05/953156105.db2.gz RDAKGFVJPZHQQM-LBPRGKRZSA-N -1 1 383.416 1.003 20 0 GDADMM Cc1ncoc1C(=O)N1C[C@@H](C)[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571226928 953157650 /nfs/dbraw/zinc/15/76/50/953157650.db2.gz XBNRQVOSNZHHKZ-SKDRFNHKSA-N -1 1 383.416 1.082 20 0 GDADMM Cc1ncoc1C(=O)N1C[C@@H](C)[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571226928 953157652 /nfs/dbraw/zinc/15/76/52/953157652.db2.gz XBNRQVOSNZHHKZ-SKDRFNHKSA-N -1 1 383.416 1.082 20 0 GDADMM Cc1ocnc1C(=O)N1CCC[C@H]([C@@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571228678 953165903 /nfs/dbraw/zinc/16/59/03/953165903.db2.gz VMWFVWHPDUSIJY-PWSUYJOCSA-N -1 1 383.416 1.306 20 0 GDADMM Cc1ocnc1C(=O)N1CCC[C@H]([C@@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571228678 953165905 /nfs/dbraw/zinc/16/59/05/953165905.db2.gz VMWFVWHPDUSIJY-PWSUYJOCSA-N -1 1 383.416 1.306 20 0 GDADMM Cc1nocc1C(=O)N1CCC([C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571228987 953167805 /nfs/dbraw/zinc/16/78/05/953167805.db2.gz XRRUEABJSJEZQF-JTQLQIEISA-N -1 1 383.416 1.306 20 0 GDADMM Cc1nocc1C(=O)N1CCC([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571228987 953167807 /nfs/dbraw/zinc/16/78/07/953167807.db2.gz XRRUEABJSJEZQF-JTQLQIEISA-N -1 1 383.416 1.306 20 0 GDADMM C[C@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571234705 953204492 /nfs/dbraw/zinc/20/44/92/953204492.db2.gz GJEMAPYXDLGMQS-HXFLIBJXSA-N -1 1 383.865 1.461 20 0 GDADMM C[C@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571234705 953204496 /nfs/dbraw/zinc/20/44/96/953204496.db2.gz GJEMAPYXDLGMQS-HXFLIBJXSA-N -1 1 383.865 1.461 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001571235132 953209724 /nfs/dbraw/zinc/20/97/24/953209724.db2.gz UOVLYAAAKCSWMG-ZJUUUORDSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001571235132 953209726 /nfs/dbraw/zinc/20/97/26/953209726.db2.gz UOVLYAAAKCSWMG-ZJUUUORDSA-N -1 1 384.366 1.282 20 0 GDADMM COCC(=O)N1CCC[C@H]2[C@H]1CCN2c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001571235271 953210903 /nfs/dbraw/zinc/21/09/03/953210903.db2.gz YQEQOCCTDNMCOX-DTWKUNHWSA-N -1 1 383.865 1.193 20 0 GDADMM CCOC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001571235856 953215834 /nfs/dbraw/zinc/21/58/34/953215834.db2.gz QCYDUBFGRVFXLH-GFCCVEGCSA-N -1 1 384.400 1.194 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)[C@H]2C)s1 ZINC001571244884 953268058 /nfs/dbraw/zinc/26/80/58/953268058.db2.gz LBZZBYSLEMJISH-YPMHNXCESA-N -1 1 384.469 1.671 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)[C@H]2C)s1 ZINC001571244884 953268060 /nfs/dbraw/zinc/26/80/60/953268060.db2.gz LBZZBYSLEMJISH-YPMHNXCESA-N -1 1 384.469 1.671 20 0 GDADMM C[C@@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)Cc1ccsc1 ZINC001571245115 953270539 /nfs/dbraw/zinc/27/05/39/953270539.db2.gz DMZMTIWPBFTHLX-YPMHNXCESA-N -1 1 384.469 1.752 20 0 GDADMM C[C@@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)Cc1ccsc1 ZINC001571245115 953270542 /nfs/dbraw/zinc/27/05/42/953270542.db2.gz DMZMTIWPBFTHLX-YPMHNXCESA-N -1 1 384.469 1.752 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001571245428 953273863 /nfs/dbraw/zinc/27/38/63/953273863.db2.gz IGRUGIAATHRQNP-NWDGAFQWSA-N -1 1 384.469 1.347 20 0 GDADMM CCc1ccsc1C(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571245739 953276185 /nfs/dbraw/zinc/27/61/85/953276185.db2.gz YPDZGRDMKLOYSM-GFCCVEGCSA-N -1 1 384.469 1.632 20 0 GDADMM CCc1ccsc1C(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571245739 953276188 /nfs/dbraw/zinc/27/61/88/953276188.db2.gz YPDZGRDMKLOYSM-GFCCVEGCSA-N -1 1 384.469 1.632 20 0 GDADMM C[C@]1(CNc2ccc(-c3nnn[n-]3)nn2)CCN(C(=O)Cc2ccsc2)C1 ZINC001571245895 953278038 /nfs/dbraw/zinc/27/80/38/953278038.db2.gz ODMMAEQAFMKAJY-QGZVFWFLSA-N -1 1 384.469 1.611 20 0 GDADMM C[C@]1(CNc2ccc(-c3nn[n-]n3)nn2)CCN(C(=O)Cc2ccsc2)C1 ZINC001571245895 953278041 /nfs/dbraw/zinc/27/80/41/953278041.db2.gz ODMMAEQAFMKAJY-QGZVFWFLSA-N -1 1 384.469 1.611 20 0 GDADMM Cc1sccc1C(=O)N1CC[C@H]([C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571248293 953291454 /nfs/dbraw/zinc/29/14/54/953291454.db2.gz PSEXMHSPHQHJCU-JQWIXIFHSA-N -1 1 384.469 1.411 20 0 GDADMM Cc1nsc(N(C)C[C@@H]2CCN(C(=O)c3ccncc3)C2)c1-c1nn[n-]n1 ZINC001571248598 953295346 /nfs/dbraw/zinc/29/53/46/953295346.db2.gz WGZDGXIQPVSNGK-LBPRGKRZSA-N -1 1 384.469 1.625 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1)C1CCCC1 ZINC001571249452 953305474 /nfs/dbraw/zinc/30/54/74/953305474.db2.gz JEHHTPYCKMZMNM-VNHYZAJKSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1)C1CCCC1 ZINC001571249452 953305478 /nfs/dbraw/zinc/30/54/78/953305478.db2.gz JEHHTPYCKMZMNM-VNHYZAJKSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571249473 953305923 /nfs/dbraw/zinc/30/59/23/953305923.db2.gz JOPOZEPGZXBYCO-BFHYXJOUSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571249473 953305927 /nfs/dbraw/zinc/30/59/27/953305927.db2.gz JOPOZEPGZXBYCO-BFHYXJOUSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C(=O)N1CCC[C@@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001571249713 953307288 /nfs/dbraw/zinc/30/72/88/953307288.db2.gz KQOKWEYMFCLCMZ-ZDUSSCGKSA-N -1 1 384.488 1.555 20 0 GDADMM CC(C)[C@]1(C)C[C@H]1C(=O)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571250827 953313567 /nfs/dbraw/zinc/31/35/67/953313567.db2.gz TTXQWMUSTDLLRJ-LIRRHRJNSA-N -1 1 384.488 1.411 20 0 GDADMM CC(C)(C)C1CC(C(=O)N2CC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001571251586 953318813 /nfs/dbraw/zinc/31/88/13/953318813.db2.gz ZRGHZKVZVZSVDQ-IYXRBSQSSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)(C)C1CC(C(=O)N2CC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001571251586 953318816 /nfs/dbraw/zinc/31/88/16/953318816.db2.gz ZRGHZKVZVZSVDQ-IYXRBSQSSA-N -1 1 384.488 1.989 20 0 GDADMM CN(c1nccnc1-c1nnn[n-]1)C1CCN(C(=O)[C@@H]2CCC(C)(C)C2)CC1 ZINC001571251830 953320215 /nfs/dbraw/zinc/32/02/15/953320215.db2.gz ATFAVWANFNPVRU-CYBMUJFWSA-N -1 1 384.488 1.910 20 0 GDADMM CN(c1nccnc1-c1nn[n-]n1)C1CCN(C(=O)[C@@H]2CCC(C)(C)C2)CC1 ZINC001571251830 953320217 /nfs/dbraw/zinc/32/02/17/953320217.db2.gz ATFAVWANFNPVRU-CYBMUJFWSA-N -1 1 384.488 1.910 20 0 GDADMM CCc1nc(NCC2CCN(C(=O)[C@@H]3C[C@H]3CC)CC2)cc(-c2nnn[n-]2)n1 ZINC001571251846 953320235 /nfs/dbraw/zinc/32/02/35/953320235.db2.gz BATHLKRFIBGBAJ-ZIAGYGMSSA-N -1 1 384.488 1.916 20 0 GDADMM CCc1nc(NCC2CCN(C(=O)[C@@H]3C[C@H]3CC)CC2)cc(-c2nn[n-]n2)n1 ZINC001571251846 953320238 /nfs/dbraw/zinc/32/02/38/953320238.db2.gz BATHLKRFIBGBAJ-ZIAGYGMSSA-N -1 1 384.488 1.916 20 0 GDADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCN(C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001571251810 953320901 /nfs/dbraw/zinc/32/09/01/953320901.db2.gz AMIULMFWXMYANJ-KBPBESRZSA-N -1 1 384.488 1.910 20 0 GDADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCN(C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001571251810 953320905 /nfs/dbraw/zinc/32/09/05/953320905.db2.gz AMIULMFWXMYANJ-KBPBESRZSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](NC(=O)C1CC(C)(C)C1)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571252078 953322879 /nfs/dbraw/zinc/32/28/79/953322879.db2.gz GSTWDELXKGCBOA-GFCCVEGCSA-N -1 1 384.488 1.814 20 0 GDADMM CN(C[C@H]1CCCN(C(=O)C2CC(C)(C)C2)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571252577 953330432 /nfs/dbraw/zinc/33/04/32/953330432.db2.gz QGVBYDXWKGVIKE-CYBMUJFWSA-N -1 1 384.488 1.768 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N(C)C[C@@H]2CCCN(C(=O)C3CCC3)C2)n1 ZINC001571252609 953330523 /nfs/dbraw/zinc/33/05/23/953330523.db2.gz RHESLBMTYHNMNK-ZDUSSCGKSA-N -1 1 384.488 1.694 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N(C)C[C@@H]2CCCN(C(=O)C3CCC3)C2)n1 ZINC001571252609 953330528 /nfs/dbraw/zinc/33/05/28/953330528.db2.gz RHESLBMTYHNMNK-ZDUSSCGKSA-N -1 1 384.488 1.694 20 0 GDADMM CCc1nc(N[C@H]2C[C@@H](CNC(=O)[C@H]3C[C@H]3C(C)C)C2)cc(-c2nnn[n-]2)n1 ZINC001571252926 953333956 /nfs/dbraw/zinc/33/39/56/953333956.db2.gz ZCACMGRQFATTAW-CRWXNKLISA-N -1 1 384.488 1.818 20 0 GDADMM CCc1nc(N[C@H]2C[C@@H](CNC(=O)[C@H]3C[C@H]3C(C)C)C2)cc(-c2nn[n-]n2)n1 ZINC001571252926 953333962 /nfs/dbraw/zinc/33/39/62/953333962.db2.gz ZCACMGRQFATTAW-CRWXNKLISA-N -1 1 384.488 1.818 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@H]2CCCN(C(=O)C3CC(C)C3)C2)n1 ZINC001571252941 953334008 /nfs/dbraw/zinc/33/40/08/953334008.db2.gz ZKWNDVRKHOFGCU-HNFVBEJKSA-N -1 1 384.488 1.686 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@H]2CCCN(C(=O)C3CC(C)C3)C2)n1 ZINC001571252941 953334012 /nfs/dbraw/zinc/33/40/12/953334012.db2.gz ZKWNDVRKHOFGCU-HNFVBEJKSA-N -1 1 384.488 1.686 20 0 GDADMM O=C(c1ccccc1Cl)N1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571254642 953340972 /nfs/dbraw/zinc/34/09/72/953340972.db2.gz FNBGQOZLRPUMFX-NSHDSACASA-N -1 1 384.831 1.884 20 0 GDADMM O=C(c1ccccc1Cl)N1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571254642 953340975 /nfs/dbraw/zinc/34/09/75/953340975.db2.gz FNBGQOZLRPUMFX-NSHDSACASA-N -1 1 384.831 1.884 20 0 GDADMM C[C@@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)c1ccc(Cl)cc1 ZINC001571255508 953349623 /nfs/dbraw/zinc/34/96/23/953349623.db2.gz MFLBWWKKUDBLJP-MFKMUULPSA-N -1 1 384.831 1.447 20 0 GDADMM C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])C1 ZINC001593689954 954020877 /nfs/dbraw/zinc/02/08/77/954020877.db2.gz GXKKUVJURDEXHI-QNWHQSFQSA-N -1 1 393.406 1.230 20 0 GDADMM Cc1ccc(-c2nn(C)cc2CN2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)o1 ZINC000650792968 954031477 /nfs/dbraw/zinc/03/14/77/954031477.db2.gz PEASOAYOSOJCKA-CQSZACIVSA-N -1 1 386.452 1.886 20 0 GDADMM O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cc2ncccc2o1 ZINC001594888779 954492956 /nfs/dbraw/zinc/49/29/56/954492956.db2.gz IDWDDYHEVXGFKS-QPUJVOFHSA-N -1 1 385.298 1.564 20 0 GDADMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1nc(C2CC2)cs1 ZINC001594895438 954563371 /nfs/dbraw/zinc/56/33/71/954563371.db2.gz GSJFANZNYDEICX-SCZZXKLOSA-N -1 1 391.371 1.757 20 0 GDADMM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cc(-c2cccc(Cl)c2)[nH]n1 ZINC001594959916 955004042 /nfs/dbraw/zinc/00/40/42/955004042.db2.gz JQRYZVYQJDGOEX-CYBMUJFWSA-N -1 1 383.813 1.054 20 0 GDADMM COC(=O)C1CC2(C1)CN(C(=O)[C@@H]1c3cn[nH]c3CC[C@@H]1C)C[C@@H]2C(=O)[O-] ZINC001593821019 955036708 /nfs/dbraw/zinc/03/67/08/955036708.db2.gz OIZJGAVHKDVFMT-DSBQQPLHSA-N -1 1 375.425 1.188 20 0 GDADMM COC(=O)C1CC2(C1)CN(C(=O)[C@@H]1c3cn[nH]c3CC[C@@H]1C)C[C@H]2C(=O)[O-] ZINC001593821022 955037031 /nfs/dbraw/zinc/03/70/31/955037031.db2.gz OIZJGAVHKDVFMT-ULZFTUCOSA-N -1 1 375.425 1.188 20 0 GDADMM COC(=O)C1CC2(C1)CN(C(=O)c1c(C)n[nH]c1C(F)(F)F)C[C@H]2C(=O)[O-] ZINC001593824545 955080832 /nfs/dbraw/zinc/08/08/32/955080832.db2.gz UWLFMCVWSZMVGR-WWNCPBBQSA-N -1 1 389.330 1.463 20 0 GDADMM Cn1cc(C[N@@H+]2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])c(C(F)F)n1 ZINC001594542686 955665313 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-1 1 379.428 1.148 20 0 GDADMM OC1(CNc2c3ccccc3nnc2-c2nnn[n-]2)CCC2(CC1)OCCO2 ZINC000738389097 598965916 /nfs/dbraw/zinc/96/59/16/598965916.db2.gz WLEROVOUHCSZMK-UHFFFAOYSA-N -1 1 383.412 1.270 20 0 GDADMM OC1(CNc2c3ccccc3nnc2-c2nn[n-]n2)CCC2(CC1)OCCO2 ZINC000738389097 598965917 /nfs/dbraw/zinc/96/59/17/598965917.db2.gz WLEROVOUHCSZMK-UHFFFAOYSA-N -1 1 383.412 1.270 20 0 GDADMM CN(C[C@H]1CCCN1c1cccnn1)c1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736794278 598967753 /nfs/dbraw/zinc/96/77/53/598967753.db2.gz PBTCZXKSIUELAS-CYBMUJFWSA-N -1 1 388.439 1.705 20 0 GDADMM CN(C[C@H]1CCCN1c1cccnn1)c1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736794278 598967755 /nfs/dbraw/zinc/96/77/55/598967755.db2.gz PBTCZXKSIUELAS-CYBMUJFWSA-N -1 1 388.439 1.705 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2C)ccc1O ZINC000821667964 607255680 /nfs/dbraw/zinc/25/56/80/607255680.db2.gz IUPWOSOEGYPLCF-UHFFFAOYSA-N -1 1 389.393 1.468 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H]2C[C@@H]2c2c(F)cccc2Cl)n(C)c1=O ZINC000737596463 598972046 /nfs/dbraw/zinc/97/20/46/598972046.db2.gz NTSHPYGJRALTGU-XVKPBYJWSA-N -1 1 391.794 1.025 20 0 GDADMM CN(C[C@@H](O)COCc1ccccc1)c1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736788442 598969466 /nfs/dbraw/zinc/96/94/66/598969466.db2.gz KTVVECKIMOCFMA-OAHLLOKOSA-N -1 1 391.435 1.824 20 0 GDADMM CN(C[C@@H](O)COCc1ccccc1)c1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736788442 598969468 /nfs/dbraw/zinc/96/94/68/598969468.db2.gz KTVVECKIMOCFMA-OAHLLOKOSA-N -1 1 391.435 1.824 20 0 GDADMM CC[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1cc(F)ccc1F ZINC000736369838 598974996 /nfs/dbraw/zinc/97/49/96/598974996.db2.gz NUJUNOJJXFFMOA-NSHDSACASA-N -1 1 377.355 1.106 20 0 GDADMM NC(=O)c1cc(N2CCCCC2)ccc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737756314 598986502 /nfs/dbraw/zinc/98/65/02/598986502.db2.gz VTDMRCREQHZFSD-UHFFFAOYSA-N -1 1 392.423 1.603 20 0 GDADMM NC(=O)c1cc(N2CCCCC2)ccc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737756314 598986504 /nfs/dbraw/zinc/98/65/04/598986504.db2.gz VTDMRCREQHZFSD-UHFFFAOYSA-N -1 1 392.423 1.603 20 0 GDADMM O=C(NC1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1)c1ccc(F)cc1 ZINC000738026445 598989991 /nfs/dbraw/zinc/98/99/91/598989991.db2.gz SPHYQEOETKEROU-UHFFFAOYSA-N -1 1 395.398 1.435 20 0 GDADMM O=C(NC1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1)c1ccc(F)cc1 ZINC000738026445 598989992 /nfs/dbraw/zinc/98/99/92/598989992.db2.gz SPHYQEOETKEROU-UHFFFAOYSA-N -1 1 395.398 1.435 20 0 GDADMM CC(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735858799 599002562 /nfs/dbraw/zinc/00/25/62/599002562.db2.gz FSEQYMNWIVGIPS-UHFFFAOYSA-N -1 1 383.387 1.890 20 0 GDADMM CC(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735858799 599002564 /nfs/dbraw/zinc/00/25/64/599002564.db2.gz FSEQYMNWIVGIPS-UHFFFAOYSA-N -1 1 383.387 1.890 20 0 GDADMM O=C(CC1CCCC1)NC1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000737814435 599004938 /nfs/dbraw/zinc/00/49/38/599004938.db2.gz NVUAIGPNRIXKFH-UHFFFAOYSA-N -1 1 383.456 1.563 20 0 GDADMM O=C(CC1CCCC1)NC1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000737814435 599004940 /nfs/dbraw/zinc/00/49/40/599004940.db2.gz NVUAIGPNRIXKFH-UHFFFAOYSA-N -1 1 383.456 1.563 20 0 GDADMM Cc1cc(N2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)nc(C(C)C)n1 ZINC000737273162 599019844 /nfs/dbraw/zinc/01/98/44/599019844.db2.gz YMIUANPEYTZUQH-UHFFFAOYSA-N -1 1 393.455 1.446 20 0 GDADMM COC(=O)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)Cc1cccc(F)c1 ZINC000736894791 599029320 /nfs/dbraw/zinc/02/93/20/599029320.db2.gz WCPJLWJWPQXWIP-ZDUSSCGKSA-N -1 1 384.371 1.163 20 0 GDADMM COC(=O)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)Cc1cccc(F)c1 ZINC000736894791 599029321 /nfs/dbraw/zinc/02/93/21/599029321.db2.gz WCPJLWJWPQXWIP-ZDUSSCGKSA-N -1 1 384.371 1.163 20 0 GDADMM CN(C(=O)c1ccc(-c2nnn[n-]2)nc1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000736746978 599030907 /nfs/dbraw/zinc/03/09/07/599030907.db2.gz CZZGOEZOPHBICD-OAHLLOKOSA-N -1 1 397.826 1.793 20 0 GDADMM CN(C(=O)c1ccc(-c2nn[n-]n2)nc1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000736746978 599030909 /nfs/dbraw/zinc/03/09/09/599030909.db2.gz CZZGOEZOPHBICD-OAHLLOKOSA-N -1 1 397.826 1.793 20 0 GDADMM CCn1ccnc1CN1CCCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000736723964 599053331 /nfs/dbraw/zinc/05/33/31/599053331.db2.gz ZVJPGVLHQBHSNS-UHFFFAOYSA-N -1 1 393.908 1.905 20 0 GDADMM CCn1ccnc1CN1CCCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000736723964 599053335 /nfs/dbraw/zinc/05/33/35/599053335.db2.gz ZVJPGVLHQBHSNS-UHFFFAOYSA-N -1 1 393.908 1.905 20 0 GDADMM CN([C@@H]1CCCN(c2ccccc2)C1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736780413 599083229 /nfs/dbraw/zinc/08/32/29/599083229.db2.gz VOBVEGUBUUKJJQ-OAHLLOKOSA-N -1 1 399.480 1.551 20 0 GDADMM CN([C@@H]1CCCN(c2ccccc2)C1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736780413 599083230 /nfs/dbraw/zinc/08/32/30/599083230.db2.gz VOBVEGUBUUKJJQ-OAHLLOKOSA-N -1 1 399.480 1.551 20 0 GDADMM CC[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)Nc1ccc(OC)cc1 ZINC000736382126 599131932 /nfs/dbraw/zinc/13/19/32/599131932.db2.gz KURBSIIAMXQWHP-HNNXBMFYSA-N -1 1 382.380 1.844 20 0 GDADMM CC[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)Nc1ccc(OC)cc1 ZINC000736382126 599131935 /nfs/dbraw/zinc/13/19/35/599131935.db2.gz KURBSIIAMXQWHP-HNNXBMFYSA-N -1 1 382.380 1.844 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)Nc1ccccc1OC(F)F ZINC000737908902 599133158 /nfs/dbraw/zinc/13/31/58/599133158.db2.gz LRYOSJBRGXRXOY-UHFFFAOYSA-N -1 1 390.306 1.659 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)Nc1ccccc1OC(F)F ZINC000737908902 599133159 /nfs/dbraw/zinc/13/31/59/599133159.db2.gz LRYOSJBRGXRXOY-UHFFFAOYSA-N -1 1 390.306 1.659 20 0 GDADMM C[C@H]1CCCC[C@@H]1OCCNC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736273837 599142750 /nfs/dbraw/zinc/14/27/50/599142750.db2.gz SCRMBAAXOHXJKC-WFASDCNBSA-N -1 1 388.428 1.130 20 0 GDADMM C[C@H]1CCCC[C@@H]1OCCNC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736273837 599142752 /nfs/dbraw/zinc/14/27/52/599142752.db2.gz SCRMBAAXOHXJKC-WFASDCNBSA-N -1 1 388.428 1.130 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000737200492 599164870 /nfs/dbraw/zinc/16/48/70/599164870.db2.gz NCSRAEJCRPYLGB-ZDUSSCGKSA-N -1 1 396.455 1.266 20 0 GDADMM CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736510677 599223858 /nfs/dbraw/zinc/22/38/58/599223858.db2.gz FKYCGEZLOAAFEQ-UHFFFAOYSA-N -1 1 379.424 1.979 20 0 GDADMM CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736510677 599223861 /nfs/dbraw/zinc/22/38/61/599223861.db2.gz FKYCGEZLOAAFEQ-UHFFFAOYSA-N -1 1 379.424 1.979 20 0 GDADMM Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)n(-c2ccncc2)n1 ZINC000822209314 599234026 /nfs/dbraw/zinc/23/40/26/599234026.db2.gz CPZXMJAIQIBVSH-UHFFFAOYSA-N -1 1 396.436 1.865 20 0 GDADMM C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)[C@@H](c2ccccc2)CO1 ZINC000820767660 599235356 /nfs/dbraw/zinc/23/53/56/599235356.db2.gz JKDZALLNHRDEKH-MLGOLLRUSA-N -1 1 386.437 1.412 20 0 GDADMM C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H](c2ccccc2)CO1 ZINC000820767660 599235358 /nfs/dbraw/zinc/23/53/58/599235358.db2.gz JKDZALLNHRDEKH-MLGOLLRUSA-N -1 1 386.437 1.412 20 0 GDADMM C[C@@H]1Cc2cc(S(=O)(=O)N(CCN(C)C)CC(=O)[O-])cc(Cl)c2O1 ZINC000535475325 597041904 /nfs/dbraw/zinc/04/19/04/597041904.db2.gz JWXVJMUVIRRITQ-SNVBAGLBSA-N -1 1 376.862 1.300 20 0 GDADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000818236458 597267772 /nfs/dbraw/zinc/26/77/72/597267772.db2.gz HBNKFIFZUAHNFW-INIZCTEOSA-N -1 1 376.457 1.918 20 0 GDADMM COc1ccc(C(=O)N2CCN(C)CC2)cc1NCc1ccc(-c2nnn[n-]2)o1 ZINC000821770056 607314415 /nfs/dbraw/zinc/31/44/15/607314415.db2.gz ODQDNPOWZSOJJE-UHFFFAOYSA-N -1 1 397.439 1.468 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2F)cs1 ZINC000821667994 607327999 /nfs/dbraw/zinc/32/79/99/607327999.db2.gz KEVDECDLYODSIL-UHFFFAOYSA-N -1 1 383.386 1.655 20 0 GDADMM CCN(CC)CCN(C(=O)c1ccc(C(=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000820338675 598158659 /nfs/dbraw/zinc/15/86/59/598158659.db2.gz MLCHJGFLVDOZFI-MRXNPFEDSA-N -1 1 382.482 1.356 20 0 GDADMM CC[C@H](C)[C@H](NCC(=O)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1)C(=O)[O-] ZINC000820459551 598187858 /nfs/dbraw/zinc/18/78/58/598187858.db2.gz BSBDSUNQWPBNEN-MPGHIAIKSA-N -1 1 381.517 1.572 20 0 GDADMM COc1ccnc(N2CCN(c3snc(Cl)c3-c3nnn[n-]3)CC2)n1 ZINC000737158797 598241662 /nfs/dbraw/zinc/24/16/62/598241662.db2.gz JCZIAJRQYVAPFF-UHFFFAOYSA-N -1 1 379.837 1.102 20 0 GDADMM COc1ccnc(N2CCN(c3snc(Cl)c3-c3nn[n-]n3)CC2)n1 ZINC000737158797 598241663 /nfs/dbraw/zinc/24/16/63/598241663.db2.gz JCZIAJRQYVAPFF-UHFFFAOYSA-N -1 1 379.837 1.102 20 0 GDADMM CCOc1ccc(C=O)c(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736643502 598259246 /nfs/dbraw/zinc/25/92/46/598259246.db2.gz KHAWRXOLJNBNDF-UHFFFAOYSA-N -1 1 375.366 1.241 20 0 GDADMM CCOc1ccc(C=O)c(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736643502 598259249 /nfs/dbraw/zinc/25/92/49/598259249.db2.gz KHAWRXOLJNBNDF-UHFFFAOYSA-N -1 1 375.366 1.241 20 0 GDADMM O=S(=O)(NCc1ccc(OC(F)F)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344778 598261392 /nfs/dbraw/zinc/26/13/92/598261392.db2.gz IAYJNLDPPXNMGP-UHFFFAOYSA-N -1 1 382.352 1.342 20 0 GDADMM O=S(=O)(NCc1ccc(OC(F)F)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738344778 598261393 /nfs/dbraw/zinc/26/13/93/598261393.db2.gz IAYJNLDPPXNMGP-UHFFFAOYSA-N -1 1 382.352 1.342 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CC=C(c2ccc(F)cc2)CC1 ZINC000738356118 598263065 /nfs/dbraw/zinc/26/30/65/598263065.db2.gz XCOXQBYLUTTXMU-UHFFFAOYSA-N -1 1 386.412 1.879 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CC=C(c2ccc(F)cc2)CC1 ZINC000738356118 598263066 /nfs/dbraw/zinc/26/30/66/598263066.db2.gz XCOXQBYLUTTXMU-UHFFFAOYSA-N -1 1 386.412 1.879 20 0 GDADMM COC(=O)c1ccc(C)c(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736952558 598265458 /nfs/dbraw/zinc/26/54/58/598265458.db2.gz ZMXLTZNMPYZBRI-UHFFFAOYSA-N -1 1 375.366 1.124 20 0 GDADMM COC(=O)c1ccc(C)c(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736952558 598265459 /nfs/dbraw/zinc/26/54/59/598265459.db2.gz ZMXLTZNMPYZBRI-UHFFFAOYSA-N -1 1 375.366 1.124 20 0 GDADMM O=S(=O)(N[C@H]1CCc2c1cccc2Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000738342961 598269640 /nfs/dbraw/zinc/26/96/40/598269640.db2.gz NUHMUVCJPFWPKD-ZDUSSCGKSA-N -1 1 376.829 1.881 20 0 GDADMM O=S(=O)(N[C@H]1CCc2c1cccc2Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000738342961 598269642 /nfs/dbraw/zinc/26/96/42/598269642.db2.gz NUHMUVCJPFWPKD-ZDUSSCGKSA-N -1 1 376.829 1.881 20 0 GDADMM CN(C[C@H]1OCCc2ccccc21)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736790840 598271956 /nfs/dbraw/zinc/27/19/56/598271956.db2.gz JSSXOXYWZVTKAQ-MRXNPFEDSA-N -1 1 386.437 1.196 20 0 GDADMM CN(C[C@H]1OCCc2ccccc21)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736790840 598271958 /nfs/dbraw/zinc/27/19/58/598271958.db2.gz JSSXOXYWZVTKAQ-MRXNPFEDSA-N -1 1 386.437 1.196 20 0 GDADMM CCc1cccc2c1OCC[C@@H]2NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736696149 598273576 /nfs/dbraw/zinc/27/35/76/598273576.db2.gz VOOQFZVODKMGOL-AWEZNQCLSA-N -1 1 386.437 1.626 20 0 GDADMM CCc1cccc2c1OCC[C@@H]2NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736696149 598273578 /nfs/dbraw/zinc/27/35/78/598273578.db2.gz VOOQFZVODKMGOL-AWEZNQCLSA-N -1 1 386.437 1.626 20 0 GDADMM CCc1cccc2c1OCC[C@H]2NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736696150 598273941 /nfs/dbraw/zinc/27/39/41/598273941.db2.gz VOOQFZVODKMGOL-CQSZACIVSA-N -1 1 386.437 1.626 20 0 GDADMM CCc1cccc2c1OCC[C@H]2NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736696150 598273942 /nfs/dbraw/zinc/27/39/42/598273942.db2.gz VOOQFZVODKMGOL-CQSZACIVSA-N -1 1 386.437 1.626 20 0 GDADMM COc1cccc2c1OCC[C@H]2NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737141332 598273993 /nfs/dbraw/zinc/27/39/93/598273993.db2.gz BFFQZKHKEKTHLW-GFCCVEGCSA-N -1 1 388.409 1.072 20 0 GDADMM COc1cccc2c1OCC[C@H]2NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737141332 598273994 /nfs/dbraw/zinc/27/39/94/598273994.db2.gz BFFQZKHKEKTHLW-GFCCVEGCSA-N -1 1 388.409 1.072 20 0 GDADMM Cc1nn(CC(=O)Nc2ccc(N3CCCC3)cc2)c(=O)c(-c2nn[n-]n2)c1C ZINC000737513933 598310463 /nfs/dbraw/zinc/31/04/63/598310463.db2.gz ZFFQGRMZZXTPHU-UHFFFAOYSA-N -1 1 394.439 1.279 20 0 GDADMM C[C@@H](CC(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1)C1CC1 ZINC000735977437 598409549 /nfs/dbraw/zinc/40/95/49/598409549.db2.gz OLUNMWOLGMPLKZ-LBPRGKRZSA-N -1 1 395.423 1.970 20 0 GDADMM C[C@@H](CC(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1)C1CC1 ZINC000735977437 598409551 /nfs/dbraw/zinc/40/95/51/598409551.db2.gz OLUNMWOLGMPLKZ-LBPRGKRZSA-N -1 1 395.423 1.970 20 0 GDADMM Cc1noc(CCCNC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)n1 ZINC000737533869 598455159 /nfs/dbraw/zinc/45/51/59/598455159.db2.gz HBUMXKOLDOOEAO-UHFFFAOYSA-N -1 1 382.384 1.613 20 0 GDADMM Cc1noc(CCCNC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)n1 ZINC000737533869 598455160 /nfs/dbraw/zinc/45/51/60/598455160.db2.gz HBUMXKOLDOOEAO-UHFFFAOYSA-N -1 1 382.384 1.613 20 0 GDADMM CCn1nc(C)c(CNC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)c1C ZINC000736729075 598473335 /nfs/dbraw/zinc/47/33/35/598473335.db2.gz SYHHUVMKZGUEKB-UHFFFAOYSA-N -1 1 388.457 1.452 20 0 GDADMM COC(=O)[C@H]1C[C@H]1C(=O)OCc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000736910624 598474634 /nfs/dbraw/zinc/47/46/34/598474634.db2.gz PWGRSPJHEQDZAV-QWHCGFSZSA-N -1 1 382.380 1.213 20 0 GDADMM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)c1nc(C2CC2)no1 ZINC000735733684 598525274 /nfs/dbraw/zinc/52/52/74/598525274.db2.gz ISVFLHVPSHYUNC-ZDUSSCGKSA-N -1 1 389.441 1.803 20 0 GDADMM C[C@@H]1C[C@@H]1NC(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000736241404 598528354 /nfs/dbraw/zinc/52/83/54/598528354.db2.gz XORYVVWEDPNPEU-MNOVXSKESA-N -1 1 384.400 1.355 20 0 GDADMM O=C1OC(c2ccc(F)cc2)=NC1=Cc1cnc2c(-c3nnn[n-]3)cnn2c1 ZINC000738317347 598567323 /nfs/dbraw/zinc/56/73/23/598567323.db2.gz CXXKXRNGPPWWKB-ACAGNQJTSA-N -1 1 376.311 1.393 20 0 GDADMM O=C1OC(c2ccc(F)cc2)=NC1=Cc1cnc2c(-c3nn[n-]n3)cnn2c1 ZINC000738317347 598567325 /nfs/dbraw/zinc/56/73/25/598567325.db2.gz CXXKXRNGPPWWKB-ACAGNQJTSA-N -1 1 376.311 1.393 20 0 GDADMM CCN(CC)C(=O)c1ccc(NC(=O)Cn2cccc(-c3nn[n-]n3)c2=O)cc1 ZINC000736529664 598675803 /nfs/dbraw/zinc/67/58/03/598675803.db2.gz ODOSNBCAHZNPFA-UHFFFAOYSA-N -1 1 395.423 1.149 20 0 GDADMM CCOC(=O)c1ccccc1OS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736602131 598686180 /nfs/dbraw/zinc/68/61/80/598686180.db2.gz HAUJTAQQOZAZHZ-UHFFFAOYSA-N -1 1 392.368 1.950 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@H]2CCc3c2cccc3O)cc1-c1nn[n-]n1 ZINC000737186629 598720430 /nfs/dbraw/zinc/72/04/30/598720430.db2.gz KGQVDKDORNMLAS-LBPRGKRZSA-N -1 1 384.421 1.812 20 0 GDADMM C[C@H](Oc1ccccc1Br)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000736189180 598779529 /nfs/dbraw/zinc/77/95/29/598779529.db2.gz RNRCNUUBGOBNHT-ZETCQYMHSA-N -1 1 378.190 1.516 20 0 GDADMM CCCN(c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)[C@@H](CC)c1ccccc1 ZINC000736481820 598815451 /nfs/dbraw/zinc/81/54/51/598815451.db2.gz ZCYWZELUDBAUCJ-AWEZNQCLSA-N -1 1 383.456 1.632 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCC([C@H](C)O)CC1 ZINC000737488484 599347021 /nfs/dbraw/zinc/34/70/21/599347021.db2.gz WAFHVYVPBSEEPB-ZDUSSCGKSA-N -1 1 398.471 1.078 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCC([C@H](C)O)CC1 ZINC000737488484 599347025 /nfs/dbraw/zinc/34/70/25/599347025.db2.gz WAFHVYVPBSEEPB-ZDUSSCGKSA-N -1 1 398.471 1.078 20 0 GDADMM CCc1nc(C)c([C@@H](C)N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)s1 ZINC000821504764 599347688 /nfs/dbraw/zinc/34/76/88/599347688.db2.gz KADYLBHIKJYNIQ-SNVBAGLBSA-N -1 1 393.498 1.971 20 0 GDADMM CCc1nc(C)c([C@@H](C)N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)s1 ZINC000821504764 599347690 /nfs/dbraw/zinc/34/76/90/599347690.db2.gz KADYLBHIKJYNIQ-SNVBAGLBSA-N -1 1 393.498 1.971 20 0 GDADMM O=C(COc1ccc(Cl)cc1)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000737918499 599415046 /nfs/dbraw/zinc/41/50/46/599415046.db2.gz HUAUDMBXMNHCJI-UHFFFAOYSA-N -1 1 399.842 1.643 20 0 GDADMM O=C(COc1ccc(Cl)cc1)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000737918499 599415047 /nfs/dbraw/zinc/41/50/47/599415047.db2.gz HUAUDMBXMNHCJI-UHFFFAOYSA-N -1 1 399.842 1.643 20 0 GDADMM COc1cccc(CC(=O)N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)c1 ZINC000737130507 599418334 /nfs/dbraw/zinc/41/83/34/599418334.db2.gz QQPHHGHUAUBRDI-UHFFFAOYSA-N -1 1 379.424 1.162 20 0 GDADMM COc1cccc(CC(=O)N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)c1 ZINC000737130507 599418336 /nfs/dbraw/zinc/41/83/36/599418336.db2.gz QQPHHGHUAUBRDI-UHFFFAOYSA-N -1 1 379.424 1.162 20 0 GDADMM CC(C)(O)COc1ccc([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000735679257 599454978 /nfs/dbraw/zinc/45/49/78/599454978.db2.gz HPHFOUMSMGAETP-UHFFFAOYSA-N -1 1 389.437 1.817 20 0 GDADMM COC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CC1 ZINC000736966749 599593896 /nfs/dbraw/zinc/59/38/96/599593896.db2.gz ZYPPBIIXWLQSQW-UHFFFAOYSA-N -1 1 391.375 1.685 20 0 GDADMM CCn1cc(C2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)cn1 ZINC000736722581 599595484 /nfs/dbraw/zinc/59/54/84/599595484.db2.gz QNHGNPOYMDRESW-UHFFFAOYSA-N -1 1 388.457 1.046 20 0 GDADMM CCn1cc(C2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)cn1 ZINC000736722581 599595487 /nfs/dbraw/zinc/59/54/87/599595487.db2.gz QNHGNPOYMDRESW-UHFFFAOYSA-N -1 1 388.457 1.046 20 0 GDADMM CC(C)(C)OC(=O)N1CCC(=O)[C@@H](OC(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000819933465 599658522 /nfs/dbraw/zinc/65/85/22/599658522.db2.gz SNYXPIPOJBGZTC-NSHDSACASA-N -1 1 393.425 1.664 20 0 GDADMM CC(=O)N(C)c1cccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)c1 ZINC000819789114 599689486 /nfs/dbraw/zinc/68/94/86/599689486.db2.gz IAWQPNSRYFUFTK-UHFFFAOYSA-N -1 1 386.437 1.959 20 0 GDADMM Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](CCO)C2CC2)c1-c1nn[nH]n1 ZINC000822015837 599690788 /nfs/dbraw/zinc/69/07/88/599690788.db2.gz PRKNYFMXQWQUGM-UHFFFAOYSA-N -1 1 395.467 1.669 20 0 GDADMM COc1ccc(-c2nn[nH]n2)cc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000821765395 599699349 /nfs/dbraw/zinc/69/93/49/599699349.db2.gz CJJUAYPMDGRHPB-UHFFFAOYSA-N -1 1 394.351 1.185 20 0 GDADMM COC(=O)CN(CC(=O)[O-])CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000737615551 599757733 /nfs/dbraw/zinc/75/77/33/599757733.db2.gz MSKDCFUHMCDQBJ-UHFFFAOYSA-N -1 1 388.302 1.080 20 0 GDADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)c1ccc(I)cc1 ZINC000020480375 599776212 /nfs/dbraw/zinc/77/62/12/599776212.db2.gz ZYZKRDLMYIXUHD-NSHDSACASA-N -1 1 385.161 1.440 20 0 GDADMM CCOc1cc2c(cc1C=CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-])O[C@H](C)C2 ZINC000737195539 599778638 /nfs/dbraw/zinc/77/86/38/599778638.db2.gz UNLZQNZAOSXECK-RQLFMYLUSA-N -1 1 385.420 1.957 20 0 GDADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000262304375 599835874 /nfs/dbraw/zinc/83/58/74/599835874.db2.gz ASARJIXCSDAHPN-OJDYBEQGSA-N -1 1 384.436 1.926 20 0 GDADMM C[C@@H](C(=O)NCC(=O)[O-])N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000736209232 599849966 /nfs/dbraw/zinc/84/99/66/599849966.db2.gz RFVMKFFUTSWWFP-AAEUAGOBSA-N -1 1 376.388 1.644 20 0 GDADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000736653008 599854982 /nfs/dbraw/zinc/85/49/82/599854982.db2.gz SILVAAALXIFCTI-NSHDSACASA-N -1 1 382.376 1.783 20 0 GDADMM COCCN1CCC[C@@H]1CNS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000546255278 599867742 /nfs/dbraw/zinc/86/77/42/599867742.db2.gz YIPLCRNDNRIFJL-GFCCVEGCSA-N -1 1 376.862 1.427 20 0 GDADMM COC(=O)C[C@@H]1CCCN1C(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000821659255 607405214 /nfs/dbraw/zinc/40/52/14/607405214.db2.gz XKLYKXXYOUCUQP-LBPRGKRZSA-N -1 1 384.396 1.727 20 0 GDADMM COC(=O)C[C@@H]1CCCN1C(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000821659255 607405217 /nfs/dbraw/zinc/40/52/17/607405217.db2.gz XKLYKXXYOUCUQP-LBPRGKRZSA-N -1 1 384.396 1.727 20 0 GDADMM CCOc1cc(C(=O)Nc2nc(-c3ccccn3)n[nH]2)ccc1OCC(=O)[O-] ZINC000737193598 599932317 /nfs/dbraw/zinc/93/23/17/599932317.db2.gz TVXURWVXTAYARI-UHFFFAOYSA-N -1 1 383.364 1.981 20 0 GDADMM O=C(CCNC(=O)c1n[nH]c2ccccc21)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000428060462 599961941 /nfs/dbraw/zinc/96/19/41/599961941.db2.gz DOKRBPULFWGKQO-INIZCTEOSA-N -1 1 380.404 1.495 20 0 GDADMM Cc1nc(C)n(C[C@H]2CCCN(CC(=O)NC3(C(=O)[O-])CCCCC3)C2)n1 ZINC000738850663 599969091 /nfs/dbraw/zinc/96/90/91/599969091.db2.gz SMRZDZRBLAKRJK-INIZCTEOSA-N -1 1 377.489 1.511 20 0 GDADMM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCC[C@H]1Cn1cccn1 ZINC000739282441 599971783 /nfs/dbraw/zinc/97/17/83/599971783.db2.gz BDSFXHQLLWFJQA-LPHOPBHVSA-N -1 1 395.463 1.641 20 0 GDADMM COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCC(C(=O)[O-])CC1 ZINC000737581186 600033826 /nfs/dbraw/zinc/03/38/26/600033826.db2.gz XBLOZHORAHBKMQ-KRWDZBQOSA-N -1 1 387.436 1.165 20 0 GDADMM COc1ccc(CNC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)cc1C(=O)[O-] ZINC000738001469 600036685 /nfs/dbraw/zinc/03/66/85/600036685.db2.gz DXLXMGHUIKHDSG-HZPDHXFCSA-N -1 1 377.441 1.134 20 0 GDADMM COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)c1 ZINC000521851288 600052437 /nfs/dbraw/zinc/05/24/37/600052437.db2.gz RTUWYGPTXWGKQG-UHFFFAOYSA-N -1 1 376.346 1.078 20 0 GDADMM CS(=O)(=O)c1c(F)cc(NS(=O)(=O)c2ccccc2C(=O)[O-])cc1F ZINC000738168498 600102288 /nfs/dbraw/zinc/10/22/88/600102288.db2.gz RFNZXWWMCZHSHV-UHFFFAOYSA-N -1 1 391.373 1.867 20 0 GDADMM CN(CC(=O)[O-])C(=O)CCN1CCN(CCOc2ccccc2Cl)CC1 ZINC000737401762 600159271 /nfs/dbraw/zinc/15/92/71/600159271.db2.gz VFATXPNRLQZWNN-UHFFFAOYSA-N -1 1 383.876 1.270 20 0 GDADMM CC(C)(NC(=O)[O-])C(=O)OCC(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000736336973 600192508 /nfs/dbraw/zinc/19/25/08/600192508.db2.gz NFFJRGGPLUFPFE-UHFFFAOYSA-N -1 1 395.481 1.763 20 0 GDADMM COC(=O)C[C@@H](NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1)C(=O)[O-] ZINC000737596585 600242560 /nfs/dbraw/zinc/24/25/60/600242560.db2.gz HFQSWCHVCCUFJP-WMLDXEAASA-N -1 1 376.453 1.462 20 0 GDADMM COc1cc(C(=O)[O-])ccc1OC[C@H](O)CN1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000737862888 600272724 /nfs/dbraw/zinc/27/27/24/600272724.db2.gz AIKASHFIGWPHRS-TYNCELHUSA-N -1 1 393.358 1.521 20 0 GDADMM O=C([O-])[C@@H]1CC12CCN(CC(=O)N1CCC(NC(=O)c3ccccc3)CC1)CC2 ZINC000739380672 600297375 /nfs/dbraw/zinc/29/73/75/600297375.db2.gz DBGPKEBTUDIQLM-SFHVURJKSA-N -1 1 399.491 1.594 20 0 GDADMM C[C@@H]1CN(CCCNC(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C[C@H](C)O1 ZINC000736812736 600300815 /nfs/dbraw/zinc/30/08/15/600300815.db2.gz WLVNFWIPDVOMOY-TXEJJXNPSA-N -1 1 381.404 1.078 20 0 GDADMM Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000738695430 600305195 /nfs/dbraw/zinc/30/51/95/600305195.db2.gz MMEDQRFIETWBOJ-HOTGVXAUSA-N -1 1 387.480 1.933 20 0 GDADMM C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1 ZINC000736820671 600312095 /nfs/dbraw/zinc/31/20/95/600312095.db2.gz FKTXPXFPGJHKTC-KDOFPFPSSA-N -1 1 398.463 1.492 20 0 GDADMM C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1 ZINC000736820671 600312098 /nfs/dbraw/zinc/31/20/98/600312098.db2.gz FKTXPXFPGJHKTC-KDOFPFPSSA-N -1 1 398.463 1.492 20 0 GDADMM COCCN1CCN(Cn2nc(C(=O)[O-])c(Br)c2C)C[C@H]1C ZINC000737807455 600313772 /nfs/dbraw/zinc/31/37/72/600313772.db2.gz BECKAGQPYHGHBV-SNVBAGLBSA-N -1 1 375.267 1.262 20 0 GDADMM CCC[C@](C)(NCC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)C(=O)[O-] ZINC000736959128 600322783 /nfs/dbraw/zinc/32/27/83/600322783.db2.gz CLVSVACZQVOAMA-FQEVSTJZSA-N -1 1 381.517 1.861 20 0 GDADMM O=C([O-])c1ccc(F)c(NC(=O)C(=O)N2CCN(CC3CCOCC3)CC2)c1 ZINC000739464165 600329749 /nfs/dbraw/zinc/32/97/49/600329749.db2.gz QPEFWBAFDIQITR-UHFFFAOYSA-N -1 1 393.415 1.033 20 0 GDADMM C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000736808878 600406612 /nfs/dbraw/zinc/40/66/12/600406612.db2.gz JZVCXLIMCJMGED-FHLIZLRMSA-N -1 1 381.904 1.802 20 0 GDADMM CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN(CCC(=O)[O-])C(C)C)C1=O ZINC000736932504 600445393 /nfs/dbraw/zinc/44/53/93/600445393.db2.gz SBPVMQQZRJJFHT-IBGZPJMESA-N -1 1 390.440 1.060 20 0 GDADMM C[C@@](CO)(NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])c1ccccc1 ZINC000736606874 600459359 /nfs/dbraw/zinc/45/93/59/600459359.db2.gz MBIYDMGAGNFGHZ-KNQAVFIVSA-N -1 1 395.459 1.777 20 0 GDADMM C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1 ZINC000737519179 600460404 /nfs/dbraw/zinc/46/04/04/600460404.db2.gz HJIOKGGWIZWFLV-MSOLQXFVSA-N -1 1 398.463 1.492 20 0 GDADMM C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1 ZINC000737519179 600460407 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/nfs/dbraw/zinc/87/21/97/601872197.db2.gz PTFZZBXJCBFTCQ-JQWIXIFHSA-N -1 1 390.465 1.731 20 0 GDADMM O=C([O-])NC[C@@H]1CCN(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)C1 ZINC000740643664 601958296 /nfs/dbraw/zinc/95/82/96/601958296.db2.gz UDIOEZMSEMWMMJ-HOCLYGCPSA-N -1 1 389.452 1.711 20 0 GDADMM CCn1nc(C)c(CNCc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)c1C ZINC000830441005 601976755 /nfs/dbraw/zinc/97/67/55/601976755.db2.gz OGMPHTGIXBOHIS-UHFFFAOYSA-N -1 1 379.482 1.809 20 0 GDADMM C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000828433745 601977109 /nfs/dbraw/zinc/97/71/09/601977109.db2.gz ZGNBMZUSZMTHMH-BLLLJJGKSA-N -1 1 375.425 1.078 20 0 GDADMM O=S(=O)(Cc1cnn(-c2ccccc2)c1)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826486981 607537848 /nfs/dbraw/zinc/53/78/48/607537848.db2.gz YTLPOQPPHDZXHQ-UHFFFAOYSA-N -1 1 381.421 1.562 20 0 GDADMM O=S(=O)(Cc1cnn(-c2ccccc2)c1)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826486981 607537849 /nfs/dbraw/zinc/53/78/49/607537849.db2.gz YTLPOQPPHDZXHQ-UHFFFAOYSA-N -1 1 381.421 1.562 20 0 GDADMM Brc1nc(Br)n(Cc2ccnc(-c3nnn[n-]3)c2)n1 ZINC000823837369 607550343 /nfs/dbraw/zinc/55/03/43/607550343.db2.gz CPIJPCYABHQZDP-UHFFFAOYSA-N -1 1 386.011 1.427 20 0 GDADMM Brc1nc(Br)n(Cc2ccnc(-c3nn[n-]n3)c2)n1 ZINC000823837369 607550344 /nfs/dbraw/zinc/55/03/44/607550344.db2.gz CPIJPCYABHQZDP-UHFFFAOYSA-N -1 1 386.011 1.427 20 0 GDADMM CC1(C)C[C@@]2(NC(=O)N(CN(CCC(=O)[O-])C3CCOCC3)C2=O)C(C)(C)O1 ZINC000828056409 602196592 /nfs/dbraw/zinc/19/65/92/602196592.db2.gz TZGVTGCZFKWIDQ-IBGZPJMESA-N -1 1 397.472 1.168 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CC[C@H]([C@H]2CCOC2)C1 ZINC000826495729 607552701 /nfs/dbraw/zinc/55/27/01/607552701.db2.gz ZCIDIQPLXARZSC-QWRGUYRKSA-N -1 1 383.861 1.567 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CC[C@H]([C@H]2CCOC2)C1 ZINC000826495729 607552702 /nfs/dbraw/zinc/55/27/02/607552702.db2.gz ZCIDIQPLXARZSC-QWRGUYRKSA-N -1 1 383.861 1.567 20 0 GDADMM C[C@@H](NC(=O)[O-])[C@H]1CCCCN1CC(=O)N1CCN(Cc2cccs2)CC1 ZINC000738998983 602273909 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COC(=O)Nc1ccc(CNC(=O)CN2CCC[C@@H](CN(C)C(=O)[O-])C2)cc1 ZINC000739779074 602399168 /nfs/dbraw/zinc/39/91/68/602399168.db2.gz GBPDHSWKFZSNCQ-HNNXBMFYSA-N -1 1 392.456 1.803 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCc2ncccc2C1 ZINC000826495322 607564960 /nfs/dbraw/zinc/56/49/60/607564960.db2.gz LFQSRVWPDMRZEB-UHFFFAOYSA-N -1 1 376.829 1.662 20 0 GDADMM CCC(CC)(CNC(=O)[O-])NC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000739253833 602443958 /nfs/dbraw/zinc/44/39/58/602443958.db2.gz DQPAWQOBMYINNE-UHFFFAOYSA-N -1 1 378.454 1.778 20 0 GDADMM C[C@@H](NC(=O)[O-])C1CCN(CC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000739023492 602447564 /nfs/dbraw/zinc/44/75/64/602447564.db2.gz GPMCLXSAELVYJS-OAHLLOKOSA-N -1 1 392.475 1.842 20 0 GDADMM C[C@H](NC(=O)[O-])C1CCN([C@H]2CC(=O)N(CCc3ccccc3F)C2=O)CC1 ZINC000739028017 602456566 /nfs/dbraw/zinc/45/65/66/602456566.db2.gz PDKIMQXQBZSBNR-GUYCJALGSA-N -1 1 391.443 1.864 20 0 GDADMM C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000738600475 602529528 /nfs/dbraw/zinc/52/95/28/602529528.db2.gz JNGXPQSDWQLYKW-OAGGEKHMSA-N -1 1 391.468 1.605 20 0 GDADMM C[C@H](C(=O)N1CCN(c2ccccn2)CC1)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737560151 602533410 /nfs/dbraw/zinc/53/34/10/602533410.db2.gz FRIXAWQVUQRJEH-OAHLLOKOSA-N -1 1 375.473 1.193 20 0 GDADMM O=S(=O)(NCc1ccccn1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826491874 607572129 /nfs/dbraw/zinc/57/21/29/607572129.db2.gz HORCVSFASHLZEE-UHFFFAOYSA-N -1 1 384.343 1.759 20 0 GDADMM COc1ccc(CNC(=O)[C@H](C)N2CC[C@@H](CN(C)C(=O)[O-])C2)cc1OC ZINC000739902948 602534787 /nfs/dbraw/zinc/53/47/87/602534787.db2.gz FPDYUSVUWDKZIV-ZFWWWQNUSA-N -1 1 379.457 1.640 20 0 GDADMM COCCN1CC[C@H](NC(=O)C2(c3ccccc3)CCN(C(=O)[O-])CC2)C1 ZINC000739828398 602574934 /nfs/dbraw/zinc/57/49/34/602574934.db2.gz HTVCUKSMBWAXRS-KRWDZBQOSA-N -1 1 375.469 1.535 20 0 GDADMM CCOC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825499258 607576921 /nfs/dbraw/zinc/57/69/21/607576921.db2.gz JENYSLUUJFCZEI-LBPRGKRZSA-N -1 1 383.405 1.112 20 0 GDADMM O=S(=O)(NC[C@H]1COc2ccccc2O1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826490703 607578193 /nfs/dbraw/zinc/57/81/93/607578193.db2.gz DORMHHUPWJGKFV-NSHDSACASA-N -1 1 391.384 1.124 20 0 GDADMM Cn1cc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])cc1C(N)=O ZINC000740291090 602646373 /nfs/dbraw/zinc/64/63/73/602646373.db2.gz SPLVIELJYPENAA-UHFFFAOYSA-N -1 1 378.410 1.355 20 0 GDADMM CNC(=O)c1ccc(S(=O)(=O)Nc2cc(OC)ccc2NC(=O)[O-])cc1 ZINC000739746243 602652291 /nfs/dbraw/zinc/65/22/91/602652291.db2.gz IYPKCYWNUSYIJL-UHFFFAOYSA-N -1 1 379.394 1.946 20 0 GDADMM O=C([O-])N1CCC[C@H](CN2CCN(C(=O)COc3ccc(F)cc3)CC2)C1 ZINC000740511926 602703413 /nfs/dbraw/zinc/70/34/13/602703413.db2.gz LVKBLTRZGOLKIN-OAHLLOKOSA-N -1 1 379.432 1.739 20 0 GDADMM CCN1CCN(c2ccc(CNC(=O)N3CCN(C(=O)[O-])C[C@@H]3C)cn2)CC1 ZINC000739455508 602746807 /nfs/dbraw/zinc/74/68/07/602746807.db2.gz IVQLCHMKCIHVLG-HNNXBMFYSA-N -1 1 390.488 1.117 20 0 GDADMM COc1ccc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1F ZINC000826203403 607583989 /nfs/dbraw/zinc/58/39/89/607583989.db2.gz MLFDQFNNMVBXKX-UHFFFAOYSA-N -1 1 381.364 1.632 20 0 GDADMM COc1ccc(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1F ZINC000826203403 607583990 /nfs/dbraw/zinc/58/39/90/607583990.db2.gz MLFDQFNNMVBXKX-UHFFFAOYSA-N -1 1 381.364 1.632 20 0 GDADMM C[C@H]1CN(C(=O)NC2CCN(Cc3ccncc3)CC2)CC[C@@H]1NC(=O)[O-] ZINC000739133577 602818573 /nfs/dbraw/zinc/81/85/73/602818573.db2.gz KWHUABAAYXWAHD-YOEHRIQHSA-N -1 1 375.473 1.734 20 0 GDADMM C[C@@H]1CN(CCC(=O)Nc2ccccc2C(=O)NC2CC2)C[C@@H](C)N1C(=O)[O-] ZINC000739184635 602825663 /nfs/dbraw/zinc/82/56/63/602825663.db2.gz XHZAOUCJUKZQJO-ZIAGYGMSSA-N -1 1 388.468 1.980 20 0 GDADMM COc1ccccc1[C@H](CNC(=O)[C@H]1COCCN1C(=O)[O-])N1CCCCC1 ZINC000739959337 602856875 /nfs/dbraw/zinc/85/68/75/602856875.db2.gz NVLXBDRPJLIJNS-DLBZAZTESA-N -1 1 391.468 1.717 20 0 GDADMM Cc1cc(CNC(=O)[C@H](Cc2cn(Cc3ccccc3)cn2)NC(=O)[O-])n[nH]1 ZINC000740076981 602857635 /nfs/dbraw/zinc/85/76/35/602857635.db2.gz QZEGYTUSQHOZLA-KRWDZBQOSA-N -1 1 382.424 1.458 20 0 GDADMM O=C([O-])N1CCOC[C@@H]1C(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000740352019 602880764 /nfs/dbraw/zinc/88/07/64/602880764.db2.gz UMYLRJWDEQCSQS-OAHLLOKOSA-N -1 1 385.424 1.557 20 0 GDADMM CC1(C)CN(C2(CNC(=O)[C@H]3COCCN3C(=O)[O-])CCCCC2)CCO1 ZINC000739062879 602897371 /nfs/dbraw/zinc/89/73/71/602897371.db2.gz BUOPBTDIXFABMT-OAHLLOKOSA-N -1 1 383.489 1.295 20 0 GDADMM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)NC[C@@H](C)N1CCN(C)CC1 ZINC000829181754 602928124 /nfs/dbraw/zinc/92/81/24/602928124.db2.gz CITWWGFLGSWCEI-LLVKDONJSA-N -1 1 384.864 1.804 20 0 GDADMM C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C[C@@H]2CCN(C(=O)[O-])C2)CC1 ZINC000738629531 602977807 /nfs/dbraw/zinc/97/78/07/602977807.db2.gz HTKYIMHTSKAIIP-CABCVRRESA-N -1 1 378.448 1.770 20 0 GDADMM C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(C[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000738629536 602978210 /nfs/dbraw/zinc/97/82/10/602978210.db2.gz HTKYIMHTSKAIIP-LSDHHAIUSA-N -1 1 378.448 1.770 20 0 GDADMM O=C([O-])N1CCC[C@@H](CCNC(=O)CCN2CCN(c3ccccn3)CC2)C1 ZINC000740356892 603095866 /nfs/dbraw/zinc/09/58/66/603095866.db2.gz KNQRMILYHUGDTC-KRWDZBQOSA-N -1 1 389.500 1.490 20 0 GDADMM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)c1ccnc(N2CCN(C)CC2)c1 ZINC000739206960 603099387 /nfs/dbraw/zinc/09/93/87/603099387.db2.gz KDFDQWWMVWDJOX-HIFRSBDPSA-N -1 1 391.472 1.067 20 0 GDADMM O=C(c1ccc(OS(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1)N1CCCC1 ZINC000826472908 607607173 /nfs/dbraw/zinc/60/71/73/607607173.db2.gz BYFNBZJZOFLEOH-UHFFFAOYSA-N -1 1 399.432 1.870 20 0 GDADMM CN(C(=O)[O-])[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(Cc3ccc(C(=O)[O-])cc3)C2=O)C1 ZINC000739582527 603105123 /nfs/dbraw/zinc/10/51/23/603105123.db2.gz BVTYUJHSAJMNNY-LSDHHAIUSA-N -1 1 389.408 1.087 20 0 GDADMM CN(C(=O)[O-])[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(Cc3ccc(C(=O)[O-])cc3)C2=O)C1 ZINC000739582527 603105125 /nfs/dbraw/zinc/10/51/25/603105125.db2.gz BVTYUJHSAJMNNY-LSDHHAIUSA-N -1 1 389.408 1.087 20 0 GDADMM C[C@H]1CN(C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)CC[C@@H]1NC(=O)[O-] ZINC000739150532 603126737 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CCOc1ccc([C@H]2CCCN2C(=O)CN2CCC(O)(C(=O)[O-])CC2)cc1 ZINC000833664385 604727434 /nfs/dbraw/zinc/72/74/34/604727434.db2.gz VEISPMYNZYWRLX-QGZVFWFLSA-N -1 1 376.453 1.660 20 0 GDADMM Cc1ccc(-c2n[nH]c(SCC(=O)N3CC[C@@H](CNC(=O)[O-])C3)n2)cc1 ZINC000830161412 604806954 /nfs/dbraw/zinc/80/69/54/604806954.db2.gz ZGCZNZFXZFFYIO-LBPRGKRZSA-N -1 1 375.454 1.988 20 0 GDADMM CCN(C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2nc(C)ccc21)c1ccccc1 ZINC000825376796 607715865 /nfs/dbraw/zinc/71/58/65/607715865.db2.gz NXYUUUKWNMDMPM-UHFFFAOYSA-N -1 1 389.419 1.938 20 0 GDADMM CC1=C(C(=O)[O-])C[C@@H](CN(C)CCCOc2cccc(S(C)(=O)=O)c2)O1 ZINC000833575530 604825191 /nfs/dbraw/zinc/82/51/91/604825191.db2.gz AJRSQHXODDSEKH-HNNXBMFYSA-N -1 1 383.466 1.938 20 0 GDADMM O=C([O-])Cn1cc(CCOC(=O)c2ccc(-c3nnc(C4CC4)[nH]3)cc2)nn1 ZINC000833269799 604839585 /nfs/dbraw/zinc/83/95/85/604839585.db2.gz LDXUXXUBXWFDET-UHFFFAOYSA-N -1 1 382.380 1.425 20 0 GDADMM O=C([O-])[C@H](CNC(=O)C(=O)Nc1cnn(-c2ccncc2)c1)c1ccccc1 ZINC000833133849 604868817 /nfs/dbraw/zinc/86/88/17/604868817.db2.gz AMZSYWVMDNLPGW-MRXNPFEDSA-N -1 1 379.376 1.190 20 0 GDADMM Cc1ccc(NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3nc(C)ccc32)cc1 ZINC000826291064 607719593 /nfs/dbraw/zinc/71/95/93/607719593.db2.gz NJZCYQDMLUUJBG-UHFFFAOYSA-N -1 1 375.392 1.832 20 0 GDADMM COC[C@](C)(CC(=O)[O-])NS(=O)(=O)c1nc(C)c(Br)s1 ZINC000833720537 604899011 /nfs/dbraw/zinc/89/90/11/604899011.db2.gz AUQUTIKKTFFFBD-JTQLQIEISA-N -1 1 387.277 1.372 20 0 GDADMM Cc1nc([C@@H]2CN(C(=O)Nc3ccc(OCC(=O)[O-])c(Cl)c3)CCO2)n[nH]1 ZINC000832990583 604908968 /nfs/dbraw/zinc/90/89/68/604908968.db2.gz CWUFZZZSTXRHDQ-ZDUSSCGKSA-N -1 1 395.803 1.835 20 0 GDADMM C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2C(=O)[O-])CC[C@@H]1N1CCN(C)CC1 ZINC000833632776 605028975 /nfs/dbraw/zinc/02/89/75/605028975.db2.gz ZHONNMODBLBFSZ-CJNGLKHVSA-N -1 1 399.488 1.170 20 0 GDADMM CCN(C[C@@H]1CCCO1)[C@H](C)C(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC000833654451 605043947 /nfs/dbraw/zinc/04/39/47/605043947.db2.gz QIAAKNGFTIRVKG-WBMJQRKESA-N -1 1 378.425 1.999 20 0 GDADMM CC(C)(C)OC(=O)N(CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-])c1ccccc1 ZINC000833434431 605079374 /nfs/dbraw/zinc/07/93/74/605079374.db2.gz MUYNOXQOXUOFPU-HNNXBMFYSA-N -1 1 388.424 1.963 20 0 GDADMM CC(=O)CCc1ccc(O[C@H](C)C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)cc1 ZINC000833388672 605106468 /nfs/dbraw/zinc/10/64/68/605106468.db2.gz UVMMYPFTCKQAHX-NVXWUHKLSA-N -1 1 390.480 1.983 20 0 GDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000833618503 605114165 /nfs/dbraw/zinc/11/41/65/605114165.db2.gz BNTYPKFGASXDLX-SMDDNHRTSA-N -1 1 397.269 1.933 20 0 GDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1CCCN1C(=O)Cc1cccs1 ZINC000833618354 605164342 /nfs/dbraw/zinc/16/43/42/605164342.db2.gz AWLUXDBVKQOSDK-GDBMZVCRSA-N -1 1 393.509 1.289 20 0 GDADMM C[C@@H](Oc1ccc(CNC[C@](O)(c2nccn2C)C(F)(F)F)cc1)C(=O)[O-] ZINC000833542243 605236545 /nfs/dbraw/zinc/23/65/45/605236545.db2.gz UCQNEMCSDASTPL-BZNIZROVSA-N -1 1 387.358 1.812 20 0 GDADMM CCS(=O)(=O)c1ccc(O)c(NC(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)c1 ZINC000827490002 605242571 /nfs/dbraw/zinc/24/25/71/605242571.db2.gz RTYAMYVHGNXEPV-LLVKDONJSA-N -1 1 386.426 1.283 20 0 GDADMM C[C@H]1CN(C(=O)C[C@H]2CN(Cc3ccccc3)CCO2)CCN1CCC(=O)[O-] ZINC000833620305 605253852 /nfs/dbraw/zinc/25/38/52/605253852.db2.gz WQUWIMXUFKQVKC-HKUYNNGSSA-N -1 1 389.496 1.285 20 0 GDADMM CC(C)C(=O)Nc1nc(CC(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)cs1 ZINC000833466293 605255963 /nfs/dbraw/zinc/25/59/63/605255963.db2.gz CYEHTROKVUANES-LBPRGKRZSA-N -1 1 382.486 1.288 20 0 GDADMM CC(C)NC(=O)Nc1cccc(C(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)c1 ZINC000833503070 605257654 /nfs/dbraw/zinc/25/76/54/605257654.db2.gz LGEFNYVNUMAPSO-AWEZNQCLSA-N -1 1 376.457 1.838 20 0 GDADMM CC(=O)N1CCCN([C@@H]2CN(C(=O)Cc3ccccc3C(=O)[O-])C[C@@H]2C)CC1 ZINC000833394220 605259691 /nfs/dbraw/zinc/25/96/91/605259691.db2.gz UOIDYQJVYWKRTB-HNAYVOBHSA-N -1 1 387.480 1.328 20 0 GDADMM CC(=O)N1CCCN([C@H]2CN(C(=O)Cc3ccccc3C(=O)[O-])C[C@H]2C)CC1 ZINC000833394218 605260070 /nfs/dbraw/zinc/26/00/70/605260070.db2.gz UOIDYQJVYWKRTB-BEFAXECRSA-N -1 1 387.480 1.328 20 0 GDADMM CC(C)CNC(=O)N1CCC[C@@H](C(=O)N2CCN(CCC(=O)[O-])[C@@H](C)C2)C1 ZINC000833488115 605275585 /nfs/dbraw/zinc/27/55/85/605275585.db2.gz QADSBGZAOGPLFD-JKSUJKDBSA-N -1 1 382.505 1.071 20 0 GDADMM C[C@H]1CN(C(=O)C2CCC(NC(=O)C3CCCC3)CC2)CCN1CCC(=O)[O-] ZINC000833617794 605276704 /nfs/dbraw/zinc/27/67/04/605276704.db2.gz HJBBDOKYGOBIPC-ZLPCBKJTSA-N -1 1 393.528 1.859 20 0 GDADMM C[C@H]1CN(C(=O)[C@H]2CCCCN2C(=O)c2cccs2)CCN1CCC(=O)[O-] ZINC000833617698 605278458 /nfs/dbraw/zinc/27/84/58/605278458.db2.gz GESNPTYDMWCVKR-LSDHHAIUSA-N -1 1 393.509 1.750 20 0 GDADMM CC(C)c1nc([C@@H](C)NC(=O)C(=O)Nc2ccc(NC(=O)[O-])c(F)c2)n[nH]1 ZINC000833512880 605291040 /nfs/dbraw/zinc/29/10/40/605291040.db2.gz VSGZKMWFKLXGCJ-MRVPVSSYSA-N -1 1 378.364 1.973 20 0 GDADMM C[C@@H](Cc1noc(-c2ccc3c(c2)[nH]c(=S)n(C)c3=O)n1)N(C)C(=O)[O-] ZINC000825037265 605316953 /nfs/dbraw/zinc/31/69/53/605316953.db2.gz YYOQAGGLEZDHJT-QMMMGPOBSA-N -1 1 375.410 1.813 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(CN3C[C@@H](C(=O)[O-])CC3=O)C[C@@H]21 ZINC000833438347 605349134 /nfs/dbraw/zinc/34/91/34/605349134.db2.gz HYCRQSHHMPMTQH-CBBWQLFWSA-N -1 1 381.473 1.502 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(CN3C[C@@H](C(=O)[O-])CC3=O)C[C@H]21 ZINC000833438350 605349898 /nfs/dbraw/zinc/34/98/98/605349898.db2.gz HYCRQSHHMPMTQH-LXTVHRRPSA-N -1 1 381.473 1.502 20 0 GDADMM O=C([O-])N1CC(OCC(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)C1 ZINC000834070039 605374162 /nfs/dbraw/zinc/37/41/62/605374162.db2.gz LMIDQUMPRRHMDK-AWEZNQCLSA-N -1 1 391.472 1.937 20 0 GDADMM CCc1oc(C(=O)[O-])cc1S(=O)(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000833683951 605433291 /nfs/dbraw/zinc/43/32/91/605433291.db2.gz XWRAFWKAELOLCH-UHFFFAOYSA-N -1 1 392.477 1.918 20 0 GDADMM O=C([O-])N1CCC[C@H]1CNC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000831647732 605616516 /nfs/dbraw/zinc/61/65/16/605616516.db2.gz PIDKYTXDMFQJID-SQNIBIBYSA-N -1 1 390.484 1.311 20 0 GDADMM O=C([O-])Nc1ccc(C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c([O-])c1 ZINC000834258072 605654076 /nfs/dbraw/zinc/65/40/76/605654076.db2.gz TYFHDMNDRRPTPX-FQEVSTJZSA-N -1 1 385.420 1.849 20 0 GDADMM O=C([O-])Nc1ccc(C(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c([O-])c1 ZINC000834258072 605654078 /nfs/dbraw/zinc/65/40/78/605654078.db2.gz TYFHDMNDRRPTPX-FQEVSTJZSA-N -1 1 385.420 1.849 20 0 GDADMM O=C(c1cc(=O)n2[n-]cnc2n1)N1CC2(CC2)c2ccc(Br)cc21 ZINC000529820536 649960587 /nfs/dbraw/zinc/96/05/87/649960587.db2.gz AKYPEMYPFVPIJC-UHFFFAOYSA-N -1 1 386.209 1.872 20 0 GDADMM COC(=O)[C@@H]1CCN(CCCOc2ccc(S(C)(=O)=O)cc2)[C@@H](C(=O)[O-])C1 ZINC000833705578 605687610 /nfs/dbraw/zinc/68/76/10/605687610.db2.gz DGZXUCKFUKXSIE-CZUORRHYSA-N -1 1 399.465 1.197 20 0 GDADMM CC(=O)N1CCCN([C@@H]2CN(C(=O)[C@H](CC(C)C)NC(=O)[O-])C[C@@H]2C)CC1 ZINC000823555371 605797714 /nfs/dbraw/zinc/79/77/14/605797714.db2.gz CCKRWCCDZXODON-BHYGNILZSA-N -1 1 382.505 1.070 20 0 GDADMM C[C@@H](OC(=O)c1cc(C(=O)[O-])no1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000833534051 605822083 /nfs/dbraw/zinc/82/20/83/605822083.db2.gz QRYJXSWVWOQBCY-TZMCWYRMSA-N -1 1 387.392 1.309 20 0 GDADMM C[C@H]1C[C@@H](CNC(=O)[O-])CN1CC(=O)NCCc1nc2ccccc2s1 ZINC000833827874 605906649 /nfs/dbraw/zinc/90/66/49/605906649.db2.gz CETUBMJACXLIPC-STQMWFEESA-N -1 1 376.482 1.933 20 0 GDADMM C[C@@H]1C[C@H](CNC(=O)[O-])CN1CC(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000833829668 605911898 /nfs/dbraw/zinc/91/18/98/605911898.db2.gz IMNGGTJVWUHMNW-GDBMZVCRSA-N -1 1 388.468 1.408 20 0 GDADMM N=C(NOCc1nnc(-c2cccc(Cl)c2)o1)[C@H]1COCCN1C(=O)[O-] ZINC000833981682 605924944 /nfs/dbraw/zinc/92/49/44/605924944.db2.gz VKGWEOYFIHOVBE-LLVKDONJSA-N -1 1 381.776 1.767 20 0 GDADMM O=C([O-])N1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000834024980 605932794 /nfs/dbraw/zinc/93/27/94/605932794.db2.gz GTJDAUCGQJTJCX-SECBINFHSA-N -1 1 381.339 1.698 20 0 GDADMM O=C([O-])N1CCC[C@H](NC(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C1 ZINC000833769439 605937204 /nfs/dbraw/zinc/93/72/04/605937204.db2.gz CGPMPHHQRKSWDF-VIFPVBQESA-N -1 1 381.339 1.698 20 0 GDADMM O=C([O-])NC[C@H]1CCCCN1C(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000834214139 605969826 /nfs/dbraw/zinc/96/98/26/605969826.db2.gz FCZQFSJHCFOHGR-CYBMUJFWSA-N -1 1 376.392 1.943 20 0 GDADMM O=C([O-])NC[C@H]1CCCCN1C(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000834214139 605969828 /nfs/dbraw/zinc/96/98/28/605969828.db2.gz FCZQFSJHCFOHGR-CYBMUJFWSA-N -1 1 376.392 1.943 20 0 GDADMM O=C(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)[C@H](O)C1CCOCC1 ZINC000823252930 606023740 /nfs/dbraw/zinc/02/37/40/606023740.db2.gz AMJXJGXYLYYAMN-QGZVFWFLSA-N -1 1 399.476 1.999 20 0 GDADMM CC[C@@H](NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)C1CCOCC1 ZINC000820914565 606029486 /nfs/dbraw/zinc/02/94/86/606029486.db2.gz PAXLATKMVTWSDV-OAHLLOKOSA-N -1 1 388.472 1.838 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1nc2ccc(F)cn2n1 ZINC000822009863 606066893 /nfs/dbraw/zinc/06/68/93/606066893.db2.gz FOQHQCLOMLSDAD-UHFFFAOYSA-N -1 1 397.374 1.337 20 0 GDADMM CCOC(=O)c1sc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)nc1C ZINC000821346481 606118320 /nfs/dbraw/zinc/11/83/20/606118320.db2.gz KFKCIXBLSJMUGX-UHFFFAOYSA-N -1 1 378.439 1.800 20 0 GDADMM CCOC(=O)c1sc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)nc1C ZINC000821346481 606118322 /nfs/dbraw/zinc/11/83/22/606118322.db2.gz KFKCIXBLSJMUGX-UHFFFAOYSA-N -1 1 378.439 1.800 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)NC(=O)NC1CCCCC1 ZINC000820512247 606133584 /nfs/dbraw/zinc/13/35/84/606133584.db2.gz IELQRYWNTTUBFB-VIFPVBQESA-N -1 1 392.441 1.632 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)NC(=O)NC1CCCCC1 ZINC000820512247 606133586 /nfs/dbraw/zinc/13/35/86/606133586.db2.gz IELQRYWNTTUBFB-VIFPVBQESA-N -1 1 392.441 1.632 20 0 GDADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc2c(c1)CCC(=O)N2 ZINC000820380242 606157944 /nfs/dbraw/zinc/15/79/44/606157944.db2.gz OAJKQBUGYFWFES-SECBINFHSA-N -1 1 381.400 1.368 20 0 GDADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc2c(c1)CCC(=O)N2 ZINC000820380242 606157946 /nfs/dbraw/zinc/15/79/46/606157946.db2.gz OAJKQBUGYFWFES-SECBINFHSA-N -1 1 381.400 1.368 20 0 GDADMM C[C@@H](COc1ccc(F)cc1F)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820287890 606170617 /nfs/dbraw/zinc/17/06/17/606170617.db2.gz RVLPMQRMJWRKKM-QMMMGPOBSA-N -1 1 378.343 1.467 20 0 GDADMM C[C@@H](COc1ccc(F)cc1F)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820287890 606170619 /nfs/dbraw/zinc/17/06/19/606170619.db2.gz RVLPMQRMJWRKKM-QMMMGPOBSA-N -1 1 378.343 1.467 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccc(Cn3cccn3)cc2)n1 ZINC000822620248 606171588 /nfs/dbraw/zinc/17/15/88/606171588.db2.gz OGHDIXXFMFORRU-UHFFFAOYSA-N -1 1 378.400 1.167 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccc(Cn3cccn3)cc2)n1 ZINC000822620248 606171589 /nfs/dbraw/zinc/17/15/89/606171589.db2.gz OGHDIXXFMFORRU-UHFFFAOYSA-N -1 1 378.400 1.167 20 0 GDADMM CCCNC(=O)c1cccc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC000821119145 606171820 /nfs/dbraw/zinc/17/18/20/606171820.db2.gz VNNRCEMICMFVHZ-UHFFFAOYSA-N -1 1 383.416 1.062 20 0 GDADMM CCCNC(=O)c1cccc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC000821119145 606171821 /nfs/dbraw/zinc/17/18/21/606171821.db2.gz VNNRCEMICMFVHZ-UHFFFAOYSA-N -1 1 383.416 1.062 20 0 GDADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1cccc(N2CCCC2=O)c1 ZINC000820380794 606171880 /nfs/dbraw/zinc/17/18/80/606171880.db2.gz ZZTVATPEJARQNB-NSHDSACASA-N -1 1 395.427 1.610 20 0 GDADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1cccc(N2CCCC2=O)c1 ZINC000820380794 606171881 /nfs/dbraw/zinc/17/18/81/606171881.db2.gz ZZTVATPEJARQNB-NSHDSACASA-N -1 1 395.427 1.610 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCc2nc(C(C)(C)C)cs2)n1 ZINC000822620625 606173620 /nfs/dbraw/zinc/17/36/20/606173620.db2.gz ZJPMKDQQLFLKEK-UHFFFAOYSA-N -1 1 375.462 1.718 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCc2nc(C(C)(C)C)cs2)n1 ZINC000822620625 606173621 /nfs/dbraw/zinc/17/36/21/606173621.db2.gz ZJPMKDQQLFLKEK-UHFFFAOYSA-N -1 1 375.462 1.718 20 0 GDADMM COc1ccc(CN(C(=O)Cn2cccc(-c3nn[n-]n3)c2=O)C2CC2)cc1 ZINC000821794233 606177336 /nfs/dbraw/zinc/17/73/36/606177336.db2.gz CFJMBZZARMPUSN-UHFFFAOYSA-N -1 1 380.408 1.228 20 0 GDADMM CC(C)OCCOC[C@H](O)CN(C)c1c2ccccc2nnc1-c1nnn[n-]1 ZINC000820145623 606238783 /nfs/dbraw/zinc/23/87/83/606238783.db2.gz CHARASOXZKXLKQ-CYBMUJFWSA-N -1 1 387.444 1.049 20 0 GDADMM CC(C)OCCOC[C@H](O)CN(C)c1c2ccccc2nnc1-c1nn[n-]n1 ZINC000820145623 606238786 /nfs/dbraw/zinc/23/87/86/606238786.db2.gz CHARASOXZKXLKQ-CYBMUJFWSA-N -1 1 387.444 1.049 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cc1-c1nn[n-]n1 ZINC000821977546 606256997 /nfs/dbraw/zinc/25/69/97/606256997.db2.gz HRYRIYXMIUXKPP-QWHCGFSZSA-N -1 1 384.421 1.077 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@@]1(C)CCCC[C@H]1O ZINC000822005875 606326519 /nfs/dbraw/zinc/32/65/19/606326519.db2.gz VGNCUYNFMWZFKG-AUUYWEPGSA-N -1 1 388.472 1.574 20 0 GDADMM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(-c2nn[nH]n2)ccc1O ZINC000821476868 606337675 /nfs/dbraw/zinc/33/76/75/606337675.db2.gz RYBMGNUJWAMIEY-UHFFFAOYSA-N -1 1 389.393 1.634 20 0 GDADMM CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1ccc(-c2nn[n-]n2)s1 ZINC000821632653 606394161 /nfs/dbraw/zinc/39/41/61/606394161.db2.gz BXDPMKQOAKPONT-MRXNPFEDSA-N -1 1 383.437 1.265 20 0 GDADMM CS(=O)(=O)NCC[C@H]1CCCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821937654 606480963 /nfs/dbraw/zinc/48/09/63/606480963.db2.gz OWGCFYIAXRSALX-SNVBAGLBSA-N -1 1 385.881 1.213 20 0 GDADMM CS(=O)(=O)NCC[C@H]1CCCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821937654 606480964 /nfs/dbraw/zinc/48/09/64/606480964.db2.gz OWGCFYIAXRSALX-SNVBAGLBSA-N -1 1 385.881 1.213 20 0 GDADMM CC(=O)N[C@H](CC(=O)OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(C)cc1 ZINC000819804063 606517674 /nfs/dbraw/zinc/51/76/74/606517674.db2.gz SSVPWCKSTCZZFP-MRXNPFEDSA-N -1 1 380.408 1.881 20 0 GDADMM CC(=O)N[C@H](CC(=O)OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(C)cc1 ZINC000819804063 606517677 /nfs/dbraw/zinc/51/76/77/606517677.db2.gz SSVPWCKSTCZZFP-MRXNPFEDSA-N -1 1 380.408 1.881 20 0 GDADMM COC(=O)C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(OC)cc1 ZINC000821659047 606519760 /nfs/dbraw/zinc/51/97/60/606519760.db2.gz PZTNQICPPGXMKE-GFCCVEGCSA-N -1 1 387.421 1.971 20 0 GDADMM COC(=O)C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(OC)cc1 ZINC000821659047 606519762 /nfs/dbraw/zinc/51/97/62/606519762.db2.gz PZTNQICPPGXMKE-GFCCVEGCSA-N -1 1 387.421 1.971 20 0 GDADMM O=C(NCCS(=O)(=O)Cc1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823218953 606535842 /nfs/dbraw/zinc/53/58/42/606535842.db2.gz CHMSEDUMUPYQRJ-UHFFFAOYSA-N -1 1 377.451 1.273 20 0 GDADMM O=C(NCCS(=O)(=O)Cc1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823218953 606535844 /nfs/dbraw/zinc/53/58/44/606535844.db2.gz CHMSEDUMUPYQRJ-UHFFFAOYSA-N -1 1 377.451 1.273 20 0 GDADMM CC(C)COC(=O)N1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000820096389 606543491 /nfs/dbraw/zinc/54/34/91/606543491.db2.gz BTCGLGAWGOBZMH-UHFFFAOYSA-N -1 1 378.458 1.869 20 0 GDADMM CC(C)COC(=O)N1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000820096389 606543492 /nfs/dbraw/zinc/54/34/92/606543492.db2.gz BTCGLGAWGOBZMH-UHFFFAOYSA-N -1 1 378.458 1.869 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCC[C@@H]1CCOC1=O ZINC000822010304 606635329 /nfs/dbraw/zinc/63/53/29/606635329.db2.gz XGHFGZQDGJFMCT-LLVKDONJSA-N -1 1 375.385 1.013 20 0 GDADMM CC1CCC(N2C[C@H](C(=O)OCc3ccnc(-c4nnn[n-]4)c3)CC2=O)CC1 ZINC000820690282 606649360 /nfs/dbraw/zinc/64/93/60/606649360.db2.gz IVHLIBRJOUPRLP-HNFVBEJKSA-N -1 1 384.440 1.732 20 0 GDADMM CC1CCC(N2C[C@H](C(=O)OCc3ccnc(-c4nn[n-]n4)c3)CC2=O)CC1 ZINC000820690282 606649361 /nfs/dbraw/zinc/64/93/61/606649361.db2.gz IVHLIBRJOUPRLP-HNFVBEJKSA-N -1 1 384.440 1.732 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1nc(N2CCCC2)ncc1Cl ZINC000823440291 606653236 /nfs/dbraw/zinc/65/32/36/606653236.db2.gz LUNMAVHXDUILQY-UHFFFAOYSA-N -1 1 386.803 1.662 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1nc(N2CCCC2)ncc1Cl ZINC000823440291 606653237 /nfs/dbraw/zinc/65/32/37/606653237.db2.gz LUNMAVHXDUILQY-UHFFFAOYSA-N -1 1 386.803 1.662 20 0 GDADMM O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000823155877 606693809 /nfs/dbraw/zinc/69/38/09/606693809.db2.gz ZKPFNABAPLKRBT-CYBMUJFWSA-N -1 1 385.334 1.075 20 0 GDADMM O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000823155877 606693810 /nfs/dbraw/zinc/69/38/10/606693810.db2.gz ZKPFNABAPLKRBT-CYBMUJFWSA-N -1 1 385.334 1.075 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC[C@@H](CO)c2ccccc2)cc1-c1nn[n-]n1 ZINC000821979282 606698275 /nfs/dbraw/zinc/69/82/75/606698275.db2.gz QPLCAPQPBLJMOE-NSHDSACASA-N -1 1 386.437 1.195 20 0 GDADMM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(c2cccc(-c3nnn[n-]3)n2)CCO1 ZINC000820384368 606727030 /nfs/dbraw/zinc/72/70/30/606727030.db2.gz CMDQWIBWDZBDCT-DGCLKSJQSA-N -1 1 375.433 1.380 20 0 GDADMM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(c2cccc(-c3nn[n-]n3)n2)CCO1 ZINC000820384368 606727031 /nfs/dbraw/zinc/72/70/31/606727031.db2.gz CMDQWIBWDZBDCT-DGCLKSJQSA-N -1 1 375.433 1.380 20 0 GDADMM O=C1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c2ccccc2N1 ZINC000823530487 606765259 /nfs/dbraw/zinc/76/52/59/606765259.db2.gz LSOXOIKACUUHJK-UHFFFAOYSA-N -1 1 388.384 1.543 20 0 GDADMM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(F)cc2-c2nn[nH]n2)cc1O ZINC000823391943 606765331 /nfs/dbraw/zinc/76/53/31/606765331.db2.gz JFHVYXMUKXQXQO-UHFFFAOYSA-N -1 1 379.329 1.210 20 0 GDADMM COc1ccccc1NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821896727 606767734 /nfs/dbraw/zinc/76/77/34/606767734.db2.gz ADAZYHSFEQKRIS-GFCCVEGCSA-N -1 1 395.427 1.408 20 0 GDADMM COc1ccccc1NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821896727 606767735 /nfs/dbraw/zinc/76/77/35/606767735.db2.gz ADAZYHSFEQKRIS-GFCCVEGCSA-N -1 1 395.427 1.408 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1nc2ccccc2o1 ZINC000820804286 606780486 /nfs/dbraw/zinc/78/04/86/606780486.db2.gz POFLURIJTWLDQI-GFCCVEGCSA-N -1 1 377.412 1.509 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1nc2ccccc2o1 ZINC000820804286 606780487 /nfs/dbraw/zinc/78/04/87/606780487.db2.gz POFLURIJTWLDQI-GFCCVEGCSA-N -1 1 377.412 1.509 20 0 GDADMM O=C([C@H]1CCSC1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000822917213 606792404 /nfs/dbraw/zinc/79/24/04/606792404.db2.gz PXTOMLXDVQUZFH-NSHDSACASA-N -1 1 375.458 1.134 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000823600381 606795310 /nfs/dbraw/zinc/79/53/10/606795310.db2.gz GYFJBUCWPQLFEW-GFCCVEGCSA-N -1 1 390.400 1.243 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1ncnc2cccc(F)c21 ZINC000820804212 606807280 /nfs/dbraw/zinc/80/72/80/606807280.db2.gz NZNGQJXHDXBJKS-LLVKDONJSA-N -1 1 392.402 1.454 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1ncnc2cccc(F)c21 ZINC000820804212 606807281 /nfs/dbraw/zinc/80/72/81/606807281.db2.gz NZNGQJXHDXBJKS-LLVKDONJSA-N -1 1 392.402 1.454 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1ncnc2cccc(F)c21 ZINC000820804213 606807414 /nfs/dbraw/zinc/80/74/14/606807414.db2.gz NZNGQJXHDXBJKS-NSHDSACASA-N -1 1 392.402 1.454 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1ncnc2cccc(F)c21 ZINC000820804213 606807415 /nfs/dbraw/zinc/80/74/15/606807415.db2.gz NZNGQJXHDXBJKS-NSHDSACASA-N -1 1 392.402 1.454 20 0 GDADMM Cc1cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)ccc1F ZINC000822168135 606820856 /nfs/dbraw/zinc/82/08/56/606820856.db2.gz LTAAJXWQKDKFPU-LBPRGKRZSA-N -1 1 382.403 1.455 20 0 GDADMM Cc1cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)ccc1F ZINC000822168135 606820858 /nfs/dbraw/zinc/82/08/58/606820858.db2.gz LTAAJXWQKDKFPU-LBPRGKRZSA-N -1 1 382.403 1.455 20 0 GDADMM C[C@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)c1cccs1 ZINC000819857635 606821329 /nfs/dbraw/zinc/82/13/29/606821329.db2.gz SZAGKJSDDHCHDV-RYUDHWBXSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)c1cccs1 ZINC000819857635 606821330 /nfs/dbraw/zinc/82/13/30/606821330.db2.gz SZAGKJSDDHCHDV-RYUDHWBXSA-N -1 1 384.469 1.559 20 0 GDADMM Cc1cccc([C@@H](C)C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1 ZINC000822288679 606822383 /nfs/dbraw/zinc/82/23/83/606822383.db2.gz GCSODBIKYMDNEG-LSDHHAIUSA-N -1 1 392.467 1.806 20 0 GDADMM Cc1cccc([C@@H](C)C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1 ZINC000822288679 606822384 /nfs/dbraw/zinc/82/23/84/606822384.db2.gz GCSODBIKYMDNEG-LSDHHAIUSA-N -1 1 392.467 1.806 20 0 GDADMM CC(C)CCO[C@@H](C)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820076606 606822671 /nfs/dbraw/zinc/82/26/71/606822671.db2.gz OXOOZMQBXHTLKI-KBPBESRZSA-N -1 1 388.476 1.145 20 0 GDADMM CC(C)CCO[C@@H](C)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820076606 606822673 /nfs/dbraw/zinc/82/26/73/606822673.db2.gz OXOOZMQBXHTLKI-KBPBESRZSA-N -1 1 388.476 1.145 20 0 GDADMM CC(C)CCO[C@@H](C)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820076608 606822991 /nfs/dbraw/zinc/82/29/91/606822991.db2.gz OXOOZMQBXHTLKI-KGLIPLIRSA-N -1 1 388.476 1.145 20 0 GDADMM CC(C)CCO[C@@H](C)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820076608 606822992 /nfs/dbraw/zinc/82/29/92/606822992.db2.gz OXOOZMQBXHTLKI-KGLIPLIRSA-N -1 1 388.476 1.145 20 0 GDADMM Cc1ccccc1CNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000822361668 606827623 /nfs/dbraw/zinc/82/76/23/606827623.db2.gz FLXWYJKDRAJJNZ-AWEZNQCLSA-N -1 1 393.455 1.385 20 0 GDADMM Cc1ccccc1CNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000822361668 606827624 /nfs/dbraw/zinc/82/76/24/606827624.db2.gz FLXWYJKDRAJJNZ-AWEZNQCLSA-N -1 1 393.455 1.385 20 0 GDADMM CCC(CC)(CCO)CNC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000820887798 606829637 /nfs/dbraw/zinc/82/96/37/606829637.db2.gz RGOOLUFNUNXWMY-UHFFFAOYSA-N -1 1 380.474 1.608 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)/C=C/C1CCCCC1 ZINC000820777288 606829697 /nfs/dbraw/zinc/82/96/97/606829697.db2.gz QRIZHHGOIKXISU-NPQIQWPPSA-N -1 1 382.472 1.830 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)/C=C/C1CCCCC1 ZINC000820777288 606829699 /nfs/dbraw/zinc/82/96/99/606829699.db2.gz QRIZHHGOIKXISU-NPQIQWPPSA-N -1 1 382.472 1.830 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cccc(Cl)n1 ZINC000820789263 606829989 /nfs/dbraw/zinc/82/99/89/606829989.db2.gz ZBZHRIJFGPYDAF-JTQLQIEISA-N -1 1 385.819 1.056 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cccc(Cl)n1 ZINC000820789263 606829990 /nfs/dbraw/zinc/82/99/90/606829990.db2.gz ZBZHRIJFGPYDAF-JTQLQIEISA-N -1 1 385.819 1.056 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N1CCc2ccccc21 ZINC000820789257 606831705 /nfs/dbraw/zinc/83/17/05/606831705.db2.gz YXJSWLLEAHHYBI-CYBMUJFWSA-N -1 1 391.439 1.350 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N1CCc2ccccc21 ZINC000820789257 606831707 /nfs/dbraw/zinc/83/17/07/606831707.db2.gz YXJSWLLEAHHYBI-CYBMUJFWSA-N -1 1 391.439 1.350 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NC[C@@H]1CC=CCC1 ZINC000820788274 606832622 /nfs/dbraw/zinc/83/26/22/606832622.db2.gz BXQPKOFOKJLDFQ-ZIAGYGMSSA-N -1 1 383.460 1.233 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NC[C@@H]1CC=CCC1 ZINC000820788274 606832625 /nfs/dbraw/zinc/83/26/25/606832625.db2.gz BXQPKOFOKJLDFQ-ZIAGYGMSSA-N -1 1 383.460 1.233 20 0 GDADMM Cc1ccc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c(C)n1 ZINC000822248653 606836205 /nfs/dbraw/zinc/83/62/05/606836205.db2.gz HQGNJLSSYMFILM-LBPRGKRZSA-N -1 1 394.443 1.411 20 0 GDADMM Cc1ccc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c(C)n1 ZINC000822248653 606836207 /nfs/dbraw/zinc/83/62/07/606836207.db2.gz HQGNJLSSYMFILM-LBPRGKRZSA-N -1 1 394.443 1.411 20 0 GDADMM Cc1ccc(F)cc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000822241400 606855590 /nfs/dbraw/zinc/85/55/90/606855590.db2.gz UYJATHKPZQEGNK-LBPRGKRZSA-N -1 1 382.403 1.455 20 0 GDADMM Cc1ccc(F)cc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000822241400 606855592 /nfs/dbraw/zinc/85/55/92/606855592.db2.gz UYJATHKPZQEGNK-LBPRGKRZSA-N -1 1 382.403 1.455 20 0 GDADMM COc1cc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)ccc1C ZINC000821717806 606889044 /nfs/dbraw/zinc/88/90/44/606889044.db2.gz ZIIAESFHEZRDSP-UHFFFAOYSA-N -1 1 395.391 1.940 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OC[C@H]1CC12CCOCC2 ZINC000822010327 606899304 /nfs/dbraw/zinc/89/93/04/606899304.db2.gz YDGLJKNNASRROE-CYBMUJFWSA-N -1 1 387.440 1.877 20 0 GDADMM CCc1nnc(Oc2cccc(C(=O)NC[C@H](C)O)c2)c(-c2nnn[n-]2)c1CC ZINC000821548347 606935985 /nfs/dbraw/zinc/93/59/85/606935985.db2.gz KUXKVQBMMZIPRK-NSHDSACASA-N -1 1 397.439 1.684 20 0 GDADMM CCc1nnc(Oc2cccc(C(=O)NC[C@H](C)O)c2)c(-c2nn[n-]n2)c1CC ZINC000821548347 606935987 /nfs/dbraw/zinc/93/59/87/606935987.db2.gz KUXKVQBMMZIPRK-NSHDSACASA-N -1 1 397.439 1.684 20 0 GDADMM CCc1nnc(Oc2ccc(O[C@H](C)C(N)=O)cc2)c(-c2nnn[n-]2)c1CC ZINC000821548723 606938758 /nfs/dbraw/zinc/93/87/58/606938758.db2.gz VKXUKFCUWURXRG-SNVBAGLBSA-N -1 1 383.412 1.826 20 0 GDADMM CCc1nnc(Oc2ccc(O[C@H](C)C(N)=O)cc2)c(-c2nn[n-]n2)c1CC ZINC000821548723 606938760 /nfs/dbraw/zinc/93/87/60/606938760.db2.gz VKXUKFCUWURXRG-SNVBAGLBSA-N -1 1 383.412 1.826 20 0 GDADMM Cn1cc(-c2nn[nH]n2)c([N-]S(=O)(=O)N2CCC3(CCCCC3)CC2)n1 ZINC000822620270 607003215 /nfs/dbraw/zinc/00/32/15/607003215.db2.gz PIKJRAZRXRINAS-UHFFFAOYSA-N -1 1 380.478 1.303 20 0 GDADMM CC(C)c1cnc(CN(C)[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)C2)o1 ZINC000820197533 607046698 /nfs/dbraw/zinc/04/66/98/607046698.db2.gz LEOYMEUNRULDAY-AWEZNQCLSA-N -1 1 396.455 1.720 20 0 GDADMM CC(C)c1cnc(CN(C)[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)C2)o1 ZINC000820197533 607046699 /nfs/dbraw/zinc/04/66/99/607046699.db2.gz LEOYMEUNRULDAY-AWEZNQCLSA-N -1 1 396.455 1.720 20 0 GDADMM Cc1cc(COC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)n(C)n1 ZINC000822200974 607092682 /nfs/dbraw/zinc/09/26/82/607092682.db2.gz LMCIZOKRERCSBW-UHFFFAOYSA-N -1 1 395.427 1.244 20 0 GDADMM Cc1cc(COC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)n(C)n1 ZINC000822200974 607092684 /nfs/dbraw/zinc/09/26/84/607092684.db2.gz LMCIZOKRERCSBW-UHFFFAOYSA-N -1 1 395.427 1.244 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cn(Cc2cccc(F)c2)nn1 ZINC000823435905 607097541 /nfs/dbraw/zinc/09/75/41/607097541.db2.gz DDBFJBDSQRVNKE-UHFFFAOYSA-N -1 1 380.343 1.398 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cn(Cc2cccc(F)c2)nn1 ZINC000823435905 607097543 /nfs/dbraw/zinc/09/75/43/607097543.db2.gz DDBFJBDSQRVNKE-UHFFFAOYSA-N -1 1 380.343 1.398 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)NCC[C@@H](C)[S@@](C)=O)c1-c1nn[n-]n1 ZINC000821990098 607099374 /nfs/dbraw/zinc/09/93/74/607099374.db2.gz PTCXKWSCHUGDLV-ZJJDNZPOSA-N -1 1 394.526 1.748 20 0 GDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000823380500 607107767 /nfs/dbraw/zinc/10/77/67/607107767.db2.gz ZMOHZWSUPGLXBB-JTQLQIEISA-N -1 1 389.828 1.968 20 0 GDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000823380500 607107769 /nfs/dbraw/zinc/10/77/69/607107769.db2.gz ZMOHZWSUPGLXBB-JTQLQIEISA-N -1 1 389.828 1.968 20 0 GDADMM O=C([C@H]1CC12CCC2)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000822916945 607115335 /nfs/dbraw/zinc/11/53/35/607115335.db2.gz JJXYFMUBUUBKIY-GFCCVEGCSA-N -1 1 395.423 1.954 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@@H]2CCC2CCCCC2)n(C)c1=O ZINC000822601425 607127804 /nfs/dbraw/zinc/12/78/04/607127804.db2.gz ZLTYSIXDWUEDGE-CQSZACIVSA-N -1 1 387.488 1.593 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N(C)[C@H](C)C(=O)OC(C)C ZINC000822535149 607138522 /nfs/dbraw/zinc/13/85/22/607138522.db2.gz ICMQXMJABYTNPZ-LLVKDONJSA-N -1 1 386.412 1.971 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N(C)[C@H](C)C(=O)OC(C)C ZINC000822535149 607138524 /nfs/dbraw/zinc/13/85/24/607138524.db2.gz ICMQXMJABYTNPZ-LLVKDONJSA-N -1 1 386.412 1.971 20 0 GDADMM Cn1cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)cc(Cl)c1=O ZINC000822685446 607152671 /nfs/dbraw/zinc/15/26/71/607152671.db2.gz ZYHNHSPNZSCQDE-UHFFFAOYSA-N -1 1 384.780 1.159 20 0 GDADMM CN1CCc2ccc([N-]S(=O)(=O)c3cccc(-c4nn[nH]n4)c3)cc2C1=O ZINC000821629803 607155466 /nfs/dbraw/zinc/15/54/66/607155466.db2.gz BWUWQKKGRUMWKZ-UHFFFAOYSA-N -1 1 384.421 1.296 20 0 GDADMM Cc1cc(S(=O)(=O)Nc2cc(-c3nn[nH]n3)ccc2O)cc(C(=O)[O-])c1C ZINC000822211855 607155492 /nfs/dbraw/zinc/15/54/92/607155492.db2.gz QNNPTHDLPAIRPP-UHFFFAOYSA-N -1 1 389.393 1.688 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(C)CCOC(C)(C)C ZINC000822004975 607166942 /nfs/dbraw/zinc/16/69/42/607166942.db2.gz MRDYCDNNSNVLFU-UHFFFAOYSA-N -1 1 376.461 1.790 20 0 GDADMM O=C(NCCCF)C(=O)Nc1ccccc1Oc1ncccc1-c1nn[n-]n1 ZINC000823187245 607184257 /nfs/dbraw/zinc/18/42/57/607184257.db2.gz HRODBPOYFHLZCO-UHFFFAOYSA-N -1 1 385.359 1.468 20 0 GDADMM COC(=O)CCCN(Cc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821660001 607193013 /nfs/dbraw/zinc/19/30/13/607193013.db2.gz BXCDDMSSLDQVGN-UHFFFAOYSA-N -1 1 380.408 1.857 20 0 GDADMM COC(=O)CCCN(Cc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821660001 607193014 /nfs/dbraw/zinc/19/30/14/607193014.db2.gz BXCDDMSSLDQVGN-UHFFFAOYSA-N -1 1 380.408 1.857 20 0 GDADMM CC(C)(C)c1ccc(C2(CNC(=O)Cn3cnc(-c4nn[n-]n4)n3)CCC2)cc1 ZINC000819959077 607211840 /nfs/dbraw/zinc/21/18/40/607211840.db2.gz XMAAXEKCXOFWJU-UHFFFAOYSA-N -1 1 394.483 1.994 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1nc(-c2ccc3c(c2)CCC3)cs1 ZINC000823136067 607215687 /nfs/dbraw/zinc/21/56/87/607215687.db2.gz IMNDTPLJFZNBKZ-UHFFFAOYSA-N -1 1 393.436 1.709 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1cc(Cl)ccc1OC(F)F ZINC000823131508 607221317 /nfs/dbraw/zinc/22/13/17/607221317.db2.gz IEVLWUXFWKBIAA-UHFFFAOYSA-N -1 1 384.734 1.029 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC000823127125 607222615 /nfs/dbraw/zinc/22/26/15/607222615.db2.gz UEZUUQBTQDBXKL-BLIJAFNYSA-N -1 1 378.440 1.943 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H](C)Cc1ccc(O)cc1 ZINC000822004855 607230755 /nfs/dbraw/zinc/23/07/55/607230755.db2.gz LVKOZBFCEWQYDI-LLVKDONJSA-N -1 1 396.451 1.970 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCCC2(C1)OCCO2 ZINC000826495022 607792090 /nfs/dbraw/zinc/79/20/90/607792090.db2.gz ZWAZAJCVEWCTIB-UHFFFAOYSA-N -1 1 385.833 1.048 20 0 GDADMM CC(C)[C@@H](O)C(C)(C)CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824201040 607818441 /nfs/dbraw/zinc/81/84/41/607818441.db2.gz XCCFWMUMWJRGLY-CYBMUJFWSA-N -1 1 387.893 1.842 20 0 GDADMM CC(C)[C@@H](O)C(C)(C)CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824201040 607818442 /nfs/dbraw/zinc/81/84/42/607818442.db2.gz XCCFWMUMWJRGLY-CYBMUJFWSA-N -1 1 387.893 1.842 20 0 GDADMM O=S(=O)(N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1cccc(F)c1-c1nnn[n-]1 ZINC000826488516 607819781 /nfs/dbraw/zinc/81/97/81/607819781.db2.gz ROVXNXDGMMFXQF-FZQKWOKYSA-N -1 1 379.417 1.242 20 0 GDADMM O=S(=O)(N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1cccc(F)c1-c1nn[n-]n1 ZINC000826488516 607819782 /nfs/dbraw/zinc/81/97/82/607819782.db2.gz ROVXNXDGMMFXQF-FZQKWOKYSA-N -1 1 379.417 1.242 20 0 GDADMM O=S(=O)(N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1cccc(F)c1-c1nnn[n-]1 ZINC000826488106 607853234 /nfs/dbraw/zinc/85/32/34/607853234.db2.gz IFPZTIRYXNXPSK-KMUNFCNLSA-N -1 1 393.444 1.632 20 0 GDADMM O=S(=O)(N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1cccc(F)c1-c1nn[n-]n1 ZINC000826488106 607853235 /nfs/dbraw/zinc/85/32/35/607853235.db2.gz IFPZTIRYXNXPSK-KMUNFCNLSA-N -1 1 393.444 1.632 20 0 GDADMM CC(=O)[C@@H](Cc1ccccc1)NC(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000823967510 607866033 /nfs/dbraw/zinc/86/60/33/607866033.db2.gz MPOOFMVNXSNJDA-OAHLLOKOSA-N -1 1 383.383 1.701 20 0 GDADMM CC(=O)[C@@H](Cc1ccccc1)NC(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000823967510 607866034 /nfs/dbraw/zinc/86/60/34/607866034.db2.gz MPOOFMVNXSNJDA-OAHLLOKOSA-N -1 1 383.383 1.701 20 0 GDADMM O=C1COc2ccc(S(=O)(=O)Oc3cccc(F)c3-c3nnn[n-]3)cc2N1 ZINC000826482280 607868142 /nfs/dbraw/zinc/86/81/42/607868142.db2.gz YNWZIWGVUOISDI-UHFFFAOYSA-N -1 1 391.340 1.104 20 0 GDADMM O=C1COc2ccc(S(=O)(=O)Oc3cccc(F)c3-c3nn[n-]n3)cc2N1 ZINC000826482280 607868143 /nfs/dbraw/zinc/86/81/43/607868143.db2.gz YNWZIWGVUOISDI-UHFFFAOYSA-N -1 1 391.340 1.104 20 0 GDADMM O=S(=O)(CCn1ccnc1-c1nnn[n-]1)c1cccc(Br)c1 ZINC000826485536 607868632 /nfs/dbraw/zinc/86/86/32/607868632.db2.gz UUAATASEPKGRMP-UHFFFAOYSA-N -1 1 383.231 1.300 20 0 GDADMM O=S(=O)(CCn1ccnc1-c1nn[n-]n1)c1cccc(Br)c1 ZINC000826485536 607868633 /nfs/dbraw/zinc/86/86/33/607868633.db2.gz UUAATASEPKGRMP-UHFFFAOYSA-N -1 1 383.231 1.300 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N(C)[C@@H]1CCSC1 ZINC000826327586 607918260 /nfs/dbraw/zinc/91/82/60/607918260.db2.gz NCFXDHGRKYZGCZ-GFCCVEGCSA-N -1 1 386.485 1.423 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N(C)[C@@H]1CCSC1 ZINC000826327586 607918261 /nfs/dbraw/zinc/91/82/61/607918261.db2.gz NCFXDHGRKYZGCZ-GFCCVEGCSA-N -1 1 386.485 1.423 20 0 GDADMM Cc1cnc(N2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)nc1 ZINC000826319064 607965035 /nfs/dbraw/zinc/96/50/35/607965035.db2.gz MWJKJWAVMAMOJI-UHFFFAOYSA-N -1 1 379.384 1.540 20 0 GDADMM C[C@@H](CC(=O)c1cccs1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824393315 607971853 /nfs/dbraw/zinc/97/18/53/607971853.db2.gz RZJIYDIZVWZYTP-VIFPVBQESA-N -1 1 378.439 1.263 20 0 GDADMM C[C@@H](CC(=O)c1cccs1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824393315 607971854 /nfs/dbraw/zinc/97/18/54/607971854.db2.gz RZJIYDIZVWZYTP-VIFPVBQESA-N -1 1 378.439 1.263 20 0 GDADMM COC(=O)C1(N(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CCCCC1 ZINC000826124820 607975628 /nfs/dbraw/zinc/97/56/28/607975628.db2.gz WOCAIHAZHQTYLJ-UHFFFAOYSA-N -1 1 397.432 1.502 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1cnn(C)c1C(F)F ZINC000826232667 608004761 /nfs/dbraw/zinc/00/47/61/608004761.db2.gz CIHBDTAVAHOODK-UHFFFAOYSA-N -1 1 392.370 1.827 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1-c1nn[n-]n1 ZINC000821977544 608012090 /nfs/dbraw/zinc/01/20/90/608012090.db2.gz HRYRIYXMIUXKPP-OLZOCXBDSA-N -1 1 384.421 1.077 20 0 GDADMM CCCN(CC(=O)Nc1ccccc1C)C(=O)Cn1ccnc1-c1nnn[n-]1 ZINC000825307666 608013293 /nfs/dbraw/zinc/01/32/93/608013293.db2.gz KLPHLBFAQOKVNS-UHFFFAOYSA-N -1 1 382.428 1.249 20 0 GDADMM CCCN(CC(=O)Nc1ccccc1C)C(=O)Cn1ccnc1-c1nn[n-]n1 ZINC000825307666 608013294 /nfs/dbraw/zinc/01/32/94/608013294.db2.gz KLPHLBFAQOKVNS-UHFFFAOYSA-N -1 1 382.428 1.249 20 0 GDADMM CCC1(NC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)CCOCC1 ZINC000825176317 608073802 /nfs/dbraw/zinc/07/38/02/608073802.db2.gz OVVDEYISWRNLKU-UHFFFAOYSA-N -1 1 398.471 1.534 20 0 GDADMM CCC1(NC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)CCOCC1 ZINC000825176317 608073803 /nfs/dbraw/zinc/07/38/03/608073803.db2.gz OVVDEYISWRNLKU-UHFFFAOYSA-N -1 1 398.471 1.534 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc(Br)cc2Cl)c1=O ZINC000826357119 608096794 /nfs/dbraw/zinc/09/67/94/608096794.db2.gz RQKKVLZFLVUEPE-UHFFFAOYSA-N -1 1 397.620 1.191 20 0 GDADMM COc1cc(COC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)ccn1 ZINC000826179808 608104200 /nfs/dbraw/zinc/10/42/00/608104200.db2.gz FNSPLMJPEJTUMX-UHFFFAOYSA-N -1 1 384.396 1.664 20 0 GDADMM Cc1cc([C@@H]2CN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CCO2)ccc1F ZINC000826266501 608119318 /nfs/dbraw/zinc/11/93/18/608119318.db2.gz QMTLNEUFZDWJGD-AWEZNQCLSA-N -1 1 386.391 1.653 20 0 GDADMM Cc1cc([C@@H]2CN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CCO2)ccc1F ZINC000826266501 608119319 /nfs/dbraw/zinc/11/93/19/608119319.db2.gz QMTLNEUFZDWJGD-AWEZNQCLSA-N -1 1 386.391 1.653 20 0 GDADMM CN1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000826029335 608121273 /nfs/dbraw/zinc/12/12/73/608121273.db2.gz RDFZHTBAFBGQKQ-ZBFHGGJFSA-N -1 1 385.378 1.715 20 0 GDADMM O=S(=O)(NC[C@H](O)CCc1ccccc1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826489646 608126953 /nfs/dbraw/zinc/12/69/53/608126953.db2.gz WJKSJIWGGRIJBQ-CQSZACIVSA-N -1 1 391.428 1.278 20 0 GDADMM O=C(Cn1ccnc1-c1nnn[n-]1)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000826424731 608147926 /nfs/dbraw/zinc/14/79/26/608147926.db2.gz AHYLJYVQCVYCKY-UHFFFAOYSA-N -1 1 395.423 1.420 20 0 GDADMM O=C(Cn1ccnc1-c1nn[n-]n1)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000826424731 608147927 /nfs/dbraw/zinc/14/79/27/608147927.db2.gz AHYLJYVQCVYCKY-UHFFFAOYSA-N -1 1 395.423 1.420 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CC[C@@H](C2CC2)C1 ZINC000826327407 608180634 /nfs/dbraw/zinc/18/06/34/608180634.db2.gz GMLHGLGQDAVVPP-CQSZACIVSA-N -1 1 380.456 1.717 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CC[C@@H](C2CC2)C1 ZINC000826327407 608180636 /nfs/dbraw/zinc/18/06/36/608180636.db2.gz GMLHGLGQDAVVPP-CQSZACIVSA-N -1 1 380.456 1.717 20 0 GDADMM O=C(Cn1cc(Nc2snc(Cl)c2-c2nnn[n-]2)cn1)NC1CCCC1 ZINC000826424563 608181966 /nfs/dbraw/zinc/18/19/66/608181966.db2.gz RQAKAVIXHWBBIF-UHFFFAOYSA-N -1 1 393.864 1.976 20 0 GDADMM O=C(Cn1cc(Nc2snc(Cl)c2-c2nn[n-]n2)cn1)NC1CCCC1 ZINC000826424563 608181967 /nfs/dbraw/zinc/18/19/67/608181967.db2.gz RQAKAVIXHWBBIF-UHFFFAOYSA-N -1 1 393.864 1.976 20 0 GDADMM CS(=O)(=O)NCC[C@H]1CCCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000826223632 608189211 /nfs/dbraw/zinc/18/92/11/608189211.db2.gz UMGFRPRGNICNIC-MRVPVSSYSA-N -1 1 391.910 1.275 20 0 GDADMM CS(=O)(=O)NCC[C@H]1CCCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000826223632 608189213 /nfs/dbraw/zinc/18/92/13/608189213.db2.gz UMGFRPRGNICNIC-MRVPVSSYSA-N -1 1 391.910 1.275 20 0 GDADMM CC(C)[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)c1nc(-c2nc[nH]n2)no1 ZINC000824199670 608191544 /nfs/dbraw/zinc/19/15/44/608191544.db2.gz KYKRSNKJFLHKEV-ZCFIWIBFSA-N -1 1 393.824 1.954 20 0 GDADMM CC(C)[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)c1nc(-c2nc[nH]n2)no1 ZINC000824199670 608191546 /nfs/dbraw/zinc/19/15/46/608191546.db2.gz KYKRSNKJFLHKEV-ZCFIWIBFSA-N -1 1 393.824 1.954 20 0 GDADMM CCNC(=O)c1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)nc2ccccc21 ZINC000825476700 608204346 /nfs/dbraw/zinc/20/43/46/608204346.db2.gz SNXFQMAAACLOKD-UHFFFAOYSA-N -1 1 388.391 1.812 20 0 GDADMM CCNC(=O)c1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)nc2ccccc21 ZINC000825476700 608204347 /nfs/dbraw/zinc/20/43/47/608204347.db2.gz SNXFQMAAACLOKD-UHFFFAOYSA-N -1 1 388.391 1.812 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cccc(-n2cccn2)c1 ZINC000825933388 608211556 /nfs/dbraw/zinc/21/15/56/608211556.db2.gz CUYFGIQTQNLVPW-UHFFFAOYSA-N -1 1 392.427 1.063 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cccc(-n2cccn2)c1 ZINC000825933388 608211558 /nfs/dbraw/zinc/21/15/58/608211558.db2.gz CUYFGIQTQNLVPW-UHFFFAOYSA-N -1 1 392.427 1.063 20 0 GDADMM CCc1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1S(C)(=O)=O ZINC000825704648 608248466 /nfs/dbraw/zinc/24/84/66/608248466.db2.gz LTJAANORVQLJDJ-UHFFFAOYSA-N -1 1 387.421 1.585 20 0 GDADMM CCc1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1S(C)(=O)=O ZINC000825704648 608248467 /nfs/dbraw/zinc/24/84/67/608248467.db2.gz LTJAANORVQLJDJ-UHFFFAOYSA-N -1 1 387.421 1.585 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCC1(c2ccc(F)cc2Cl)CC1 ZINC000826425636 608250917 /nfs/dbraw/zinc/25/09/17/608250917.db2.gz MCNWJQQCQYBZMB-UHFFFAOYSA-N -1 1 376.783 1.099 20 0 GDADMM C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000824487730 608316625 /nfs/dbraw/zinc/31/66/25/608316625.db2.gz CEUUVGZEFGNQFZ-UWVGGRQHSA-N -1 1 394.361 1.785 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@@H]1COC2(CCCC2)O1 ZINC000826340692 608326051 /nfs/dbraw/zinc/32/60/51/608326051.db2.gz HISZFPHOTRYOGU-CYBMUJFWSA-N -1 1 398.423 1.974 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@@H]1COC2(CCCC2)O1 ZINC000826340692 608326053 /nfs/dbraw/zinc/32/60/53/608326053.db2.gz HISZFPHOTRYOGU-CYBMUJFWSA-N -1 1 398.423 1.974 20 0 GDADMM O=S(=O)(Cc1cc(-c2nn[nH]n2)ccc1F)[N-][C@@H]1CCCCC12OCCO2 ZINC000826486312 608341194 /nfs/dbraw/zinc/34/11/94/608341194.db2.gz XSKQUUPITBGDDL-CQSZACIVSA-N -1 1 397.432 1.111 20 0 GDADMM CC[C@]1(C)CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000825164709 608354676 /nfs/dbraw/zinc/35/46/76/608354676.db2.gz HBSPRTVJMHAZLS-GOSISDBHSA-N -1 1 388.476 1.795 20 0 GDADMM CC[C@]1(C)CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000825164709 608354678 /nfs/dbraw/zinc/35/46/78/608354678.db2.gz HBSPRTVJMHAZLS-GOSISDBHSA-N -1 1 388.476 1.795 20 0 GDADMM CC[C@H](C)C[C@@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825060546 608354795 /nfs/dbraw/zinc/35/47/95/608354795.db2.gz QNVJXIMMIQIKDW-WDEREUQCSA-N -1 1 376.465 1.698 20 0 GDADMM CC[C@H](C)C[C@@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825060546 608354797 /nfs/dbraw/zinc/35/47/97/608354797.db2.gz QNVJXIMMIQIKDW-WDEREUQCSA-N -1 1 376.465 1.698 20 0 GDADMM Cc1cccc(C)c1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826297008 608359155 /nfs/dbraw/zinc/35/91/55/608359155.db2.gz RMZUXWMQVKKFMV-UHFFFAOYSA-N -1 1 396.455 1.690 20 0 GDADMM Cc1cccc(C)c1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826297008 608359157 /nfs/dbraw/zinc/35/91/57/608359157.db2.gz RMZUXWMQVKKFMV-UHFFFAOYSA-N -1 1 396.455 1.690 20 0 GDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000826395201 608385895 /nfs/dbraw/zinc/38/58/95/608385895.db2.gz RJUWAAOFQCZIMW-ZETCQYMHSA-N -1 1 390.766 1.131 20 0 GDADMM Brc1cnn(C2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)c1 ZINC000823832720 608416315 /nfs/dbraw/zinc/41/63/15/608416315.db2.gz UGSGIJPEBGITFH-UHFFFAOYSA-N -1 1 376.222 1.457 20 0 GDADMM Brc1cnn(C2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)c1 ZINC000823832720 608416316 /nfs/dbraw/zinc/41/63/16/608416316.db2.gz UGSGIJPEBGITFH-UHFFFAOYSA-N -1 1 376.222 1.457 20 0 GDADMM C[C@]1(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCCc2ccccc21 ZINC000824823933 608423321 /nfs/dbraw/zinc/42/33/21/608423321.db2.gz RCOFRSMGDMARDD-GOSISDBHSA-N -1 1 384.465 1.834 20 0 GDADMM C[C@]1(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCCc2ccccc21 ZINC000824823933 608423323 /nfs/dbraw/zinc/42/33/23/608423323.db2.gz RCOFRSMGDMARDD-GOSISDBHSA-N -1 1 384.465 1.834 20 0 GDADMM O[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826507893 608436122 /nfs/dbraw/zinc/43/61/22/608436122.db2.gz YARMNRZMKUWWHW-WCQYABFASA-N -1 1 377.330 1.988 20 0 GDADMM O[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826507893 608436123 /nfs/dbraw/zinc/43/61/23/608436123.db2.gz YARMNRZMKUWWHW-WCQYABFASA-N -1 1 377.330 1.988 20 0 GDADMM O=S(=O)(NCc1cn2ccsc2n1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826492110 608445370 /nfs/dbraw/zinc/44/53/70/608445370.db2.gz TWEGXYGVQXPHGT-UHFFFAOYSA-N -1 1 379.402 1.194 20 0 GDADMM CCCCCn1cc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c(C)n1 ZINC000825282718 608447612 /nfs/dbraw/zinc/44/76/12/608447612.db2.gz XTSVOXNKIDHUGV-UHFFFAOYSA-N -1 1 390.473 1.435 20 0 GDADMM CCCCCn1cc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c(C)n1 ZINC000825282718 608447614 /nfs/dbraw/zinc/44/76/14/608447614.db2.gz XTSVOXNKIDHUGV-UHFFFAOYSA-N -1 1 390.473 1.435 20 0 GDADMM CSc1cccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000826230760 608549092 /nfs/dbraw/zinc/54/90/92/608549092.db2.gz JBNHJICACJEYEF-UHFFFAOYSA-N -1 1 387.473 1.990 20 0 GDADMM CSc1cccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000826230760 608549094 /nfs/dbraw/zinc/54/90/94/608549094.db2.gz JBNHJICACJEYEF-UHFFFAOYSA-N -1 1 387.473 1.990 20 0 GDADMM CCn1nc(C)c(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1Cl ZINC000825807959 608556224 /nfs/dbraw/zinc/55/62/24/608556224.db2.gz ZBBXMNMBKBEBHW-UHFFFAOYSA-N -1 1 392.855 1.055 20 0 GDADMM CCn1nc(C)c(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1Cl ZINC000825807959 608556226 /nfs/dbraw/zinc/55/62/26/608556226.db2.gz ZBBXMNMBKBEBHW-UHFFFAOYSA-N -1 1 392.855 1.055 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Cc1ccc(F)c(F)c1 ZINC000825929541 608558217 /nfs/dbraw/zinc/55/82/17/608558217.db2.gz HQSNWVBLHQRROZ-UHFFFAOYSA-N -1 1 376.371 1.084 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Cc1ccc(F)c(F)c1 ZINC000825929541 608558218 /nfs/dbraw/zinc/55/82/18/608558218.db2.gz HQSNWVBLHQRROZ-UHFFFAOYSA-N -1 1 376.371 1.084 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C1=Cc2cc(F)ccc2OC1 ZINC000825923141 608560284 /nfs/dbraw/zinc/56/02/84/608560284.db2.gz CZEKKGKAJUNBGK-UHFFFAOYSA-N -1 1 398.402 1.178 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C1=Cc2cc(F)ccc2OC1 ZINC000825923141 608560286 /nfs/dbraw/zinc/56/02/86/608560286.db2.gz CZEKKGKAJUNBGK-UHFFFAOYSA-N -1 1 398.402 1.178 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccn(C2CCCC2)n1 ZINC000825935197 608560573 /nfs/dbraw/zinc/56/05/73/608560573.db2.gz WMZXNRDKEJIIIA-UHFFFAOYSA-N -1 1 384.448 1.188 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccn(C2CCCC2)n1 ZINC000825935197 608560574 /nfs/dbraw/zinc/56/05/74/608560574.db2.gz WMZXNRDKEJIIIA-UHFFFAOYSA-N -1 1 384.448 1.188 20 0 GDADMM COc1cc(C=O)c(OS(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1OC ZINC000826178503 608565287 /nfs/dbraw/zinc/56/52/87/608565287.db2.gz AKVRNKRFRIXLCR-UHFFFAOYSA-N -1 1 390.377 1.464 20 0 GDADMM O=S(=O)(NCC1(CCO)CCCCC1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826490065 608567626 /nfs/dbraw/zinc/56/76/26/608567626.db2.gz JAVCJNDCWWJOJF-UHFFFAOYSA-N -1 1 383.449 1.617 20 0 GDADMM O=S(=O)(NCC1(CCO)CCCCC1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826490065 608567628 /nfs/dbraw/zinc/56/76/28/608567628.db2.gz JAVCJNDCWWJOJF-UHFFFAOYSA-N -1 1 383.449 1.617 20 0 GDADMM Cc1cccn2cc(CNS(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)nc12 ZINC000826308341 608617664 /nfs/dbraw/zinc/61/76/64/608617664.db2.gz VEVIRRGQGXGHOS-UHFFFAOYSA-N -1 1 387.400 1.440 20 0 GDADMM Cc1cccn2cc(CNS(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)nc12 ZINC000826308341 608617666 /nfs/dbraw/zinc/61/76/66/608617666.db2.gz VEVIRRGQGXGHOS-UHFFFAOYSA-N -1 1 387.400 1.440 20 0 GDADMM O=C(Cc1ccccc1F)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC000826423969 608637792 /nfs/dbraw/zinc/63/77/92/608637792.db2.gz PVSFMKXRYMILPF-UHFFFAOYSA-N -1 1 386.456 1.954 20 0 GDADMM CCOC(=O)c1cnc(N2CCN(Cc3ccc(-c4nnn[n-]4)o3)CC2)s1 ZINC000825564940 608735923 /nfs/dbraw/zinc/73/59/23/608735923.db2.gz JAVHMNMWMAOFAM-UHFFFAOYSA-N -1 1 389.441 1.415 20 0 GDADMM CCOC(=O)c1cnc(N2CCN(Cc3ccc(-c4nn[n-]n4)o3)CC2)s1 ZINC000825564940 608735925 /nfs/dbraw/zinc/73/59/25/608735925.db2.gz JAVHMNMWMAOFAM-UHFFFAOYSA-N -1 1 389.441 1.415 20 0 GDADMM CCOc1cc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)ccc1C ZINC000825615919 609156364 /nfs/dbraw/zinc/15/63/64/609156364.db2.gz PMAVHBAASFIMHQ-UHFFFAOYSA-N -1 1 399.459 1.976 20 0 GDADMM CCOc1cc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)ccc1C ZINC000825615919 609156365 /nfs/dbraw/zinc/15/63/65/609156365.db2.gz PMAVHBAASFIMHQ-UHFFFAOYSA-N -1 1 399.459 1.976 20 0 GDADMM Cc1ccc(C(F)(F)C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000826284493 609257498 /nfs/dbraw/zinc/25/74/98/609257498.db2.gz VKGDCMIKIFHYDK-UHFFFAOYSA-N -1 1 390.398 1.663 20 0 GDADMM Cc1ccc(C(F)(F)C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000826284493 609257499 /nfs/dbraw/zinc/25/74/99/609257499.db2.gz VKGDCMIKIFHYDK-UHFFFAOYSA-N -1 1 390.398 1.663 20 0 GDADMM CN(CC(F)(F)F)C(=O)CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825902161 609277710 /nfs/dbraw/zinc/27/77/10/609277710.db2.gz OZIRXOHNXZESLR-UHFFFAOYSA-N -1 1 398.324 1.624 20 0 GDADMM CCCCn1nnnc1CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825301663 609278921 /nfs/dbraw/zinc/27/89/21/609278921.db2.gz OHNZJVFOZDSABM-UHFFFAOYSA-N -1 1 383.395 1.590 20 0 GDADMM Cn1cc(C=CC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cn1 ZINC000826359408 609287699 /nfs/dbraw/zinc/28/76/99/609287699.db2.gz GBJXDLIJNHSYCY-AATRIKPKSA-N -1 1 379.359 1.577 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCCc1cccc(F)c1 ZINC000825929233 609298966 /nfs/dbraw/zinc/29/89/66/609298966.db2.gz DEHJABFPVWSFIW-UHFFFAOYSA-N -1 1 387.423 1.128 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCCc1cccc(F)c1 ZINC000825929233 609298968 /nfs/dbraw/zinc/29/89/68/609298968.db2.gz DEHJABFPVWSFIW-UHFFFAOYSA-N -1 1 387.423 1.128 20 0 GDADMM Cc1ccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c(C)c1 ZINC000826288243 609301433 /nfs/dbraw/zinc/30/14/33/609301433.db2.gz XJKJWBKFWHRSEA-UHFFFAOYSA-N -1 1 383.460 1.563 20 0 GDADMM Cc1ccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c(C)c1 ZINC000826288243 609301435 /nfs/dbraw/zinc/30/14/35/609301435.db2.gz XJKJWBKFWHRSEA-UHFFFAOYSA-N -1 1 383.460 1.563 20 0 GDADMM C[C@H](CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)Oc1ccccc1 ZINC000824421399 609302274 /nfs/dbraw/zinc/30/22/74/609302274.db2.gz SXBWHRWJAGNPHL-GFCCVEGCSA-N -1 1 399.459 1.214 20 0 GDADMM C[C@H](CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)Oc1ccccc1 ZINC000824421399 609302275 /nfs/dbraw/zinc/30/22/75/609302275.db2.gz SXBWHRWJAGNPHL-GFCCVEGCSA-N -1 1 399.459 1.214 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCc1cc(F)ccc1F ZINC000825930716 609302476 /nfs/dbraw/zinc/30/24/76/609302476.db2.gz XAEYNJCFEAPULI-UHFFFAOYSA-N -1 1 391.386 1.224 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCc1cc(F)ccc1F ZINC000825930716 609302477 /nfs/dbraw/zinc/30/24/77/609302477.db2.gz XAEYNJCFEAPULI-UHFFFAOYSA-N -1 1 391.386 1.224 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCc1coc2ccccc12 ZINC000825930372 609302572 /nfs/dbraw/zinc/30/25/72/609302572.db2.gz VFPAOTFCQHABBL-UHFFFAOYSA-N -1 1 395.427 1.692 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCc1coc2ccccc12 ZINC000825930372 609302574 /nfs/dbraw/zinc/30/25/74/609302574.db2.gz VFPAOTFCQHABBL-UHFFFAOYSA-N -1 1 395.427 1.692 20 0 GDADMM CCO[C@H](CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(C)C ZINC000825576095 609304058 /nfs/dbraw/zinc/30/40/58/609304058.db2.gz CBQIKEWBSGBLFX-CYBMUJFWSA-N -1 1 393.496 1.197 20 0 GDADMM CCO[C@H](CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(C)C ZINC000825576095 609304059 /nfs/dbraw/zinc/30/40/59/609304059.db2.gz CBQIKEWBSGBLFX-CYBMUJFWSA-N -1 1 393.496 1.197 20 0 GDADMM CCOC(=O)C1(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CC1 ZINC000825492977 609311320 /nfs/dbraw/zinc/31/13/20/609311320.db2.gz IVUDPDNCJYYEJZ-UHFFFAOYSA-N -1 1 385.359 1.473 20 0 GDADMM CCc1nc(S(=O)(=O)Cc2cc(=O)n3cc(Br)ccc3n2)n[n-]1 ZINC000530781123 649980556 /nfs/dbraw/zinc/98/05/56/649980556.db2.gz KIEPRKMCXLBPED-UHFFFAOYSA-N -1 1 398.242 1.111 20 0 GDADMM COCC[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccc(C)o1 ZINC000826154087 609334468 /nfs/dbraw/zinc/33/44/68/609334468.db2.gz HTRQFMRLKOXZKH-ZDUSSCGKSA-N -1 1 395.416 1.963 20 0 GDADMM COC[C@@H](NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C1CC1 ZINC000826150974 609356537 /nfs/dbraw/zinc/35/65/37/609356537.db2.gz QGHQRAUYCDVZAN-GFCCVEGCSA-N -1 1 386.391 1.738 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N(CCO)CC1CC1 ZINC000826458489 609359606 /nfs/dbraw/zinc/35/96/06/609359606.db2.gz RQEXQQIAMHIYAQ-UHFFFAOYSA-N -1 1 386.391 1.428 20 0 GDADMM CC[C@H](CCO)CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825115073 609363002 /nfs/dbraw/zinc/36/30/02/609363002.db2.gz TVNWPCHGXOZJLG-LLVKDONJSA-N -1 1 388.407 1.722 20 0 GDADMM CCC(CC)(CO)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825095926 609363011 /nfs/dbraw/zinc/36/30/11/609363011.db2.gz KQCOHEHHXSGCSB-UHFFFAOYSA-N -1 1 388.407 1.864 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OC[C@@H]1CCO[C@H](C)C1 ZINC000826328432 609391631 /nfs/dbraw/zinc/39/16/31/609391631.db2.gz REJNHNQUEYGXQW-BXUZGUMPSA-N -1 1 399.455 1.817 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OC[C@@H]1CCO[C@H](C)C1 ZINC000826328432 609391632 /nfs/dbraw/zinc/39/16/32/609391632.db2.gz REJNHNQUEYGXQW-BXUZGUMPSA-N -1 1 399.455 1.817 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCO[C@H](C(C)C)C1 ZINC000826328343 609403587 /nfs/dbraw/zinc/40/35/87/609403587.db2.gz OHIUOOXEZGNVJG-INIZCTEOSA-N -1 1 398.471 1.342 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCO[C@H](C(C)C)C1 ZINC000826328343 609403588 /nfs/dbraw/zinc/40/35/88/609403588.db2.gz OHIUOOXEZGNVJG-INIZCTEOSA-N -1 1 398.471 1.342 20 0 GDADMM CN(Cc1ncc(Cl)n1C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825998685 609448706 /nfs/dbraw/zinc/44/87/06/609448706.db2.gz AEEYXRGBOGYYGC-UHFFFAOYSA-N -1 1 385.812 1.213 20 0 GDADMM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)cc1O ZINC000826462457 609529267 /nfs/dbraw/zinc/52/92/67/609529267.db2.gz YUPPKRDXZWIVTA-UHFFFAOYSA-N -1 1 395.784 1.725 20 0 GDADMM Cc1oc(NC(=O)COC(=O)[C@@H](c2ccccc2)N(C)C)c(-c2nn[n-]n2)c1C ZINC000826342282 609621743 /nfs/dbraw/zinc/62/17/43/609621743.db2.gz DLPPUEOKDSXMIW-MRXNPFEDSA-N -1 1 398.423 1.861 20 0 GDADMM COc1cccc(N2C[C@@H]([N-]S(=O)(=O)c3nc(C)c(C)s3)CC2=O)c1 ZINC000532495643 650025362 /nfs/dbraw/zinc/02/53/62/650025362.db2.gz FPRFINIZTGTFQW-LBPRGKRZSA-N -1 1 381.479 1.852 20 0 GDADMM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)c2nccs2)c(OC)c1 ZINC000535615533 650251045 /nfs/dbraw/zinc/25/10/45/650251045.db2.gz FHPQZRNRYHPYKS-UHFFFAOYSA-N -1 1 391.496 1.738 20 0 GDADMM CS(=O)(=O)Nc1cc(F)ccc1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000539116502 650328539 /nfs/dbraw/zinc/32/85/39/650328539.db2.gz HPVCTFYPUNPNKO-UHFFFAOYSA-N -1 1 388.398 1.696 20 0 GDADMM CCS(=O)(=O)N1CCC(C[N-]S(=O)(=O)c2cccc(F)c2F)CC1 ZINC000541812393 650391787 /nfs/dbraw/zinc/39/17/87/650391787.db2.gz UPCOBSISFOQFMV-UHFFFAOYSA-N -1 1 382.454 1.305 20 0 GDADMM Cc1nc(S(=O)(=O)[N-][C@@H]2CCCN(Cc3ccccn3)C2=O)sc1C ZINC000544103417 650434821 /nfs/dbraw/zinc/43/48/21/650434821.db2.gz NFIJBKNYIFIAOG-CQSZACIVSA-N -1 1 380.495 1.624 20 0 GDADMM CN(Cc1cc(Br)ccc1F)C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000544685609 650444183 /nfs/dbraw/zinc/44/41/83/650444183.db2.gz MLCBGNTVYZXZQF-UHFFFAOYSA-N -1 1 380.177 1.591 20 0 GDADMM COC(=O)[C@@]1(NC(=O)c2ccc(I)c([O-])c2)CCOC1 ZINC000544830530 650446218 /nfs/dbraw/zinc/44/62/18/650446218.db2.gz CVELPHWLBAWHAY-CYBMUJFWSA-N -1 1 391.161 1.059 20 0 GDADMM CS(=O)(=O)Cc1noc(C[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000545521443 650459099 /nfs/dbraw/zinc/45/90/99/650459099.db2.gz WHWIAXNNYQBLJY-UHFFFAOYSA-N -1 1 399.372 1.112 20 0 GDADMM C[C@@H]([N-]S(=O)(=O)c1cccs1)c1nc(-c2ccc(C(N)=O)cc2)no1 ZINC000545604829 650460243 /nfs/dbraw/zinc/46/02/43/650460243.db2.gz PRTJLJAVQQZFGW-SECBINFHSA-N -1 1 378.435 1.937 20 0 GDADMM CCOc1cc(C(=O)NCCCN(CC)S(C)(=O)=O)cc(Cl)c1[O-] ZINC000545877768 650463867 /nfs/dbraw/zinc/46/38/67/650463867.db2.gz XSZCRASYGMONAT-UHFFFAOYSA-N -1 1 378.878 1.846 20 0 GDADMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)c1ccc2c(c1)CCC2 ZINC000545957357 650467104 /nfs/dbraw/zinc/46/71/04/650467104.db2.gz ACOGXUYVROHBEO-UHFFFAOYSA-N -1 1 381.479 1.354 20 0 GDADMM CN(CCN1CCCC1=O)C(=O)c1ccc(I)c([O-])c1 ZINC000546193323 650474164 /nfs/dbraw/zinc/47/41/64/650474164.db2.gz YKRFJIZNOIEIPT-UHFFFAOYSA-N -1 1 388.205 1.691 20 0 GDADMM CCOCCS(=O)(=O)[N-]Cc1nc(Cc2csc([C@H](C)OC)n2)no1 ZINC000546534180 650478393 /nfs/dbraw/zinc/47/83/93/650478393.db2.gz YRTAVQZNWJBBPV-JTQLQIEISA-N -1 1 390.487 1.280 20 0 GDADMM O=S(=O)([N-]Cc1nnc2n1CCCCC2)c1ccc(Br)o1 ZINC000546705712 650484010 /nfs/dbraw/zinc/48/40/10/650484010.db2.gz WZDDXAZQOVBHIX-UHFFFAOYSA-N -1 1 375.248 1.839 20 0 GDADMM COc1cc(NC(=O)NC(C)(C)CS(C)(=O)=O)ccc1[N-]S(C)(=O)=O ZINC000546836990 650488096 /nfs/dbraw/zinc/48/80/96/650488096.db2.gz FPJFDFHIXOVBNI-UHFFFAOYSA-N -1 1 393.487 1.011 20 0 GDADMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)CCO)cc1 ZINC000547499434 650499586 /nfs/dbraw/zinc/49/95/86/650499586.db2.gz NAFHKPNLSQRXQK-UHFFFAOYSA-N -1 1 380.447 1.434 20 0 GDADMM COc1nc(C)c(Br)cc1C(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000548276028 650542233 /nfs/dbraw/zinc/54/22/33/650542233.db2.gz HFPPIEBVHNMVNM-UHFFFAOYSA-N -1 1 381.234 1.874 20 0 GDADMM CCOC(=O)c1ccc(S(=O)(=O)NCC[C@H](CC(=O)[O-])C(F)(F)F)o1 ZINC000551916040 650615428 /nfs/dbraw/zinc/61/54/28/650615428.db2.gz PUCRIMPQPRVAOH-MRVPVSSYSA-N -1 1 387.332 1.778 20 0 GDADMM O=C([O-])[C@@H]1[C@@H]2CCCN2CCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000551997405 650616587 /nfs/dbraw/zinc/61/65/87/650616587.db2.gz CRCYCTOTHYVZTD-STQMWFEESA-N -1 1 379.265 1.915 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-]C[C@]2(C)CCC(=O)N2)c1F ZINC000916200047 660188839 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/nfs/dbraw/zinc/45/19/57/945451957.db2.gz JDLXKFOOEZWMCS-GFCCVEGCSA-N -1 1 385.457 1.384 20 0 GDADMM Cc1nscc1C(=O)N1CC[C@@](C)(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571263364 945457651 /nfs/dbraw/zinc/45/76/51/945457651.db2.gz NWNOUVJMOMZSGR-INIZCTEOSA-N -1 1 385.457 1.386 20 0 GDADMM Cc1nscc1C(=O)N1CC[C@@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571263364 945457657 /nfs/dbraw/zinc/45/76/57/945457657.db2.gz NWNOUVJMOMZSGR-INIZCTEOSA-N -1 1 385.457 1.386 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cncc(Cl)c1 ZINC001571265586 945513496 /nfs/dbraw/zinc/51/34/96/945513496.db2.gz MAUFMZJUYUGBGO-SKDRFNHKSA-N -1 1 385.819 1.420 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cncc(Cl)c1 ZINC001571265586 945513502 /nfs/dbraw/zinc/51/35/02/945513502.db2.gz MAUFMZJUYUGBGO-SKDRFNHKSA-N -1 1 385.819 1.420 20 0 GDADMM COCC(=O)N1CCCC[C@H]1CCNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001571265603 945517110 /nfs/dbraw/zinc/51/71/10/945517110.db2.gz MITFMLLPBNZLBR-VIFPVBQESA-N -1 1 385.881 1.806 20 0 GDADMM COCC(=O)N1CCCC[C@H]1CCNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001571265603 945517113 /nfs/dbraw/zinc/51/71/13/945517113.db2.gz MITFMLLPBNZLBR-VIFPVBQESA-N -1 1 385.881 1.806 20 0 GDADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N[C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC001571267022 945558429 /nfs/dbraw/zinc/55/84/29/945558429.db2.gz GNDFJEUHDVDPMG-GFCCVEGCSA-N -1 1 386.366 1.940 20 0 GDADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N[C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC001571267022 945558432 /nfs/dbraw/zinc/55/84/32/945558432.db2.gz GNDFJEUHDVDPMG-GFCCVEGCSA-N -1 1 386.366 1.940 20 0 GDADMM CN(C(=O)c1ccc(F)cc1F)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571267560 945572943 /nfs/dbraw/zinc/57/29/43/945572943.db2.gz YOYJQXWOBXJMRV-NSHDSACASA-N -1 1 386.366 1.286 20 0 GDADMM CN(C(=O)c1ccc(F)cc1F)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571267560 945572948 /nfs/dbraw/zinc/57/29/48/945572948.db2.gz YOYJQXWOBXJMRV-NSHDSACASA-N -1 1 386.366 1.286 20 0 GDADMM CC[C@@H](C)[C@@H](O)CNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000820860001 945573813 /nfs/dbraw/zinc/57/38/13/945573813.db2.gz HUOSAHWVZBZPOU-RNCFNFMXSA-N -1 1 376.486 1.998 20 0 GDADMM O=C(N1CCC[C@@H]2[C@@H]1CCN2c1nccnc1-c1nnn[n-]1)C1(F)CCCC1 ZINC001571268404 945595267 /nfs/dbraw/zinc/59/52/67/945595267.db2.gz FXPDCGIGCBNACF-OLZOCXBDSA-N -1 1 386.435 1.509 20 0 GDADMM O=C(N1CCC[C@@H]2[C@@H]1CCN2c1nccnc1-c1nn[n-]n1)C1(F)CCCC1 ZINC001571268404 945595276 /nfs/dbraw/zinc/59/52/76/945595276.db2.gz FXPDCGIGCBNACF-OLZOCXBDSA-N -1 1 386.435 1.509 20 0 GDADMM COc1csc(C(=O)NC[C@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)c1 ZINC001571269916 945626869 /nfs/dbraw/zinc/62/68/69/945626869.db2.gz HSRTVQDWSJTONI-SNVBAGLBSA-N -1 1 386.441 1.126 20 0 GDADMM COc1csc(C(=O)NC[C@H]2CCCN2c2cncc(-c3nn[n-]n3)n2)c1 ZINC001571269916 945626877 /nfs/dbraw/zinc/62/68/77/945626877.db2.gz HSRTVQDWSJTONI-SNVBAGLBSA-N -1 1 386.441 1.126 20 0 GDADMM COc1ccsc1C(=O)N1CC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001571270208 945631487 /nfs/dbraw/zinc/63/14/87/945631487.db2.gz NKXCVSVLZSDVTP-SNVBAGLBSA-N -1 1 386.441 1.078 20 0 GDADMM COc1ccsc1C(=O)N1CC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001571270208 945631491 /nfs/dbraw/zinc/63/14/91/945631491.db2.gz NKXCVSVLZSDVTP-SNVBAGLBSA-N -1 1 386.441 1.078 20 0 GDADMM COc1ccsc1C(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571270230 945632823 /nfs/dbraw/zinc/63/28/23/945632823.db2.gz NXZIZZVXMLPCKW-JTQLQIEISA-N -1 1 386.441 1.078 20 0 GDADMM Cc1nsc(N2CCC[C@@H]([C@H](C)NC(=O)c3cc[nH]c3)C2)c1-c1nn[n-]n1 ZINC001571271579 945644878 /nfs/dbraw/zinc/64/48/78/945644878.db2.gz DVFGODXYMKNZFY-GXFFZTMASA-N -1 1 386.485 1.995 20 0 GDADMM CO[C@H](C(=O)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1)C1CCCC1 ZINC001571272818 945671950 /nfs/dbraw/zinc/67/19/50/945671950.db2.gz JAUHMVZTFFIGGE-DOMZBBRYSA-N -1 1 386.460 1.122 20 0 GDADMM CO[C@H](C(=O)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1)C1CCCC1 ZINC001571272818 945671955 /nfs/dbraw/zinc/67/19/55/945671955.db2.gz JAUHMVZTFFIGGE-DOMZBBRYSA-N -1 1 386.460 1.122 20 0 GDADMM CN(C[C@H]1CCCCN1C(=O)[C@H]1CCCCO1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571273119 945679191 /nfs/dbraw/zinc/67/91/91/945679191.db2.gz POAAWZVZOUEYCJ-UKRRQHHQSA-N -1 1 386.460 1.043 20 0 GDADMM CN(C[C@H]1CCCCN1C(=O)[C@H]1CCCCO1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571273119 945679195 /nfs/dbraw/zinc/67/91/95/945679195.db2.gz POAAWZVZOUEYCJ-UKRRQHHQSA-N -1 1 386.460 1.043 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCCCO2)n1 ZINC001571273210 945682003 /nfs/dbraw/zinc/68/20/03/945682003.db2.gz SROOXCMLFBUXBQ-UMVBOHGHSA-N -1 1 386.460 1.374 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCCCO2)n1 ZINC001571273210 945682011 /nfs/dbraw/zinc/68/20/11/945682011.db2.gz SROOXCMLFBUXBQ-UMVBOHGHSA-N -1 1 386.460 1.374 20 0 GDADMM O=C(CC[C@@H]1CCCCO1)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571273284 945683330 /nfs/dbraw/zinc/68/33/30/945683330.db2.gz URCDZFHCEYLCJP-KGLIPLIRSA-N -1 1 386.460 1.409 20 0 GDADMM O=C(CC[C@@H]1CCCCO1)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571273284 945683332 /nfs/dbraw/zinc/68/33/32/945683332.db2.gz URCDZFHCEYLCJP-KGLIPLIRSA-N -1 1 386.460 1.409 20 0 GDADMM O=C(CC1CCOCC1)N1CC[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571273340 945685983 /nfs/dbraw/zinc/68/59/83/945685983.db2.gz VVWLHSUSVLEHRH-AWEZNQCLSA-N -1 1 386.460 1.124 20 0 GDADMM O=C(CC1CCOCC1)N1CC[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571273340 945685990 /nfs/dbraw/zinc/68/59/90/945685990.db2.gz VVWLHSUSVLEHRH-AWEZNQCLSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CCN(C(=O)C[C@@H]2CCCO2)CC1 ZINC001571277600 945744917 /nfs/dbraw/zinc/74/49/17/945744917.db2.gz MKKXZNKYXBDUJG-JSGCOSHPSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CCN(C(=O)C[C@@H]2CCCO2)CC1 ZINC001571277600 945744929 /nfs/dbraw/zinc/74/49/29/945744929.db2.gz MKKXZNKYXBDUJG-JSGCOSHPSA-N -1 1 386.460 1.265 20 0 GDADMM CC(C)c1oncc1C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001571281697 945808571 /nfs/dbraw/zinc/80/85/71/945808571.db2.gz LYEIITXZNWZCQL-UHFFFAOYSA-N -1 1 387.469 1.998 20 0 GDADMM CCn1cc(C(=O)N2CCC[C@@H](Nc3snc(C)c3-c3nn[n-]n3)C2)cn1 ZINC001571282048 945828934 /nfs/dbraw/zinc/82/89/34/945828934.db2.gz RJIMMZQJVTVTJA-GFCCVEGCSA-N -1 1 387.473 1.565 20 0 GDADMM Cc1n[nH]cc1C(=O)N1CC[C@H](Nc2snc(C)c2-c2nn[n-]n2)[C@@H](C)C1 ZINC001571282172 945829539 /nfs/dbraw/zinc/82/95/39/945829539.db2.gz SXVMSULCGWPNLG-UFBFGSQYSA-N -1 1 387.473 1.626 20 0 GDADMM Cc1nsc(N2CCC[C@H](NC(=O)Cc3ccoc3)[C@@H]2C)c1-c1nn[n-]n1 ZINC001571282401 945840810 /nfs/dbraw/zinc/84/08/10/945840810.db2.gz XNOHTHFHULWBER-AAEUAGOBSA-N -1 1 387.469 1.941 20 0 GDADMM CC(C)[C@H](F)C(=O)N1C[C@@]2(C)CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@]2(C)C1 ZINC001571287876 945980164 /nfs/dbraw/zinc/98/01/64/945980164.db2.gz KJWPBDDBHJRJNL-JCGIZDLHSA-N -1 1 388.451 1.326 20 0 GDADMM CC(C)[C@H](F)C(=O)N1C[C@@]2(C)CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@]2(C)C1 ZINC001571287876 945980169 /nfs/dbraw/zinc/98/01/69/945980169.db2.gz KJWPBDDBHJRJNL-JCGIZDLHSA-N -1 1 388.451 1.326 20 0 GDADMM O=C(N[C@H]1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C1(F)CCCCC1 ZINC001571289789 946018754 /nfs/dbraw/zinc/01/87/54/946018754.db2.gz MOACHKZKHVEBIN-OLZOCXBDSA-N -1 1 388.451 1.448 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)c1ccc(Cl)o1 ZINC001571290338 946039563 /nfs/dbraw/zinc/03/95/63/946039563.db2.gz AWFJDASYQYOWNF-SNVBAGLBSA-N -1 1 388.819 1.692 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)c1ccc(Cl)o1 ZINC001571290338 946039576 /nfs/dbraw/zinc/03/95/76/946039576.db2.gz AWFJDASYQYOWNF-SNVBAGLBSA-N -1 1 388.819 1.692 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)c1ccoc1Cl)c1cnc(-c2nnn[n-]2)cn1 ZINC001571290439 946040613 /nfs/dbraw/zinc/04/06/13/946040613.db2.gz FBQGOFYSCVTCNS-SNVBAGLBSA-N -1 1 388.819 1.644 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)c1ccoc1Cl)c1cnc(-c2nn[n-]n2)cn1 ZINC001571290439 946040623 /nfs/dbraw/zinc/04/06/23/946040623.db2.gz FBQGOFYSCVTCNS-SNVBAGLBSA-N -1 1 388.819 1.644 20 0 GDADMM O=C(c1c(F)cccc1Cl)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571290497 946045321 /nfs/dbraw/zinc/04/53/21/946045321.db2.gz HFGHOVOCUXUIHV-SECBINFHSA-N -1 1 388.794 1.776 20 0 GDADMM O=C(c1c(F)cccc1Cl)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571290497 946045335 /nfs/dbraw/zinc/04/53/35/946045335.db2.gz HFGHOVOCUXUIHV-SECBINFHSA-N -1 1 388.794 1.776 20 0 GDADMM C[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(Cl)o1 ZINC001571290677 946050226 /nfs/dbraw/zinc/05/02/26/946050226.db2.gz LPNWYSWBZLNWKK-VHSXEESVSA-N -1 1 388.819 1.430 20 0 GDADMM Cc1cccc(N2CCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CC2)c1C ZINC000822309230 946050879 /nfs/dbraw/zinc/05/08/79/946050879.db2.gz QQKNQUGOHRBXNY-UHFFFAOYSA-N -1 1 381.444 1.571 20 0 GDADMM Cc1cccc(N2CCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CC2)c1C ZINC000822309230 946050892 /nfs/dbraw/zinc/05/08/92/946050892.db2.gz QQKNQUGOHRBXNY-UHFFFAOYSA-N -1 1 381.444 1.571 20 0 GDADMM C[C@@]1(CNc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)c2ccoc2Cl)C1 ZINC001571290799 946057789 /nfs/dbraw/zinc/05/77/89/946057789.db2.gz PLYVYLHESPCVHL-INIZCTEOSA-N -1 1 388.819 1.867 20 0 GDADMM C[C@@]1(CNc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)c2ccoc2Cl)C1 ZINC001571290799 946057802 /nfs/dbraw/zinc/05/78/02/946057802.db2.gz PLYVYLHESPCVHL-INIZCTEOSA-N -1 1 388.819 1.867 20 0 GDADMM Cc1cccc2c1C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)CO2 ZINC001571291224 946072865 /nfs/dbraw/zinc/07/28/65/946072865.db2.gz GPJFSLUUCAUEDM-LLVKDONJSA-N -1 1 389.412 1.596 20 0 GDADMM Cc1cccc2c1C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)CO2 ZINC001571291224 946072877 /nfs/dbraw/zinc/07/28/77/946072877.db2.gz GPJFSLUUCAUEDM-LLVKDONJSA-N -1 1 389.412 1.596 20 0 GDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)NC[C@@H]1CCCN1CC(F)(F)F ZINC001571292049 946087676 /nfs/dbraw/zinc/08/76/76/946087676.db2.gz UADKFQPGBBNLJI-VIFPVBQESA-N -1 1 389.407 1.754 20 0 GDADMM COc1cc([C@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)ccc1S(C)(=O)=O ZINC001571293242 946097497 /nfs/dbraw/zinc/09/74/97/946097497.db2.gz CBIQQKMRFDQSAV-JTQLQIEISA-N -1 1 389.441 1.550 20 0 GDADMM COc1cc([C@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)ccc1S(C)(=O)=O ZINC001571293242 946097508 /nfs/dbraw/zinc/09/75/08/946097508.db2.gz CBIQQKMRFDQSAV-JTQLQIEISA-N -1 1 389.441 1.550 20 0 GDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC001571293605 946110860 /nfs/dbraw/zinc/11/08/60/946110860.db2.gz MLCOKJFEQIGKFC-GFCCVEGCSA-N -1 1 389.462 1.506 20 0 GDADMM O=C(C[C@@H]1CCCC1(F)F)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1 ZINC001571294211 946128372 /nfs/dbraw/zinc/12/83/72/946128372.db2.gz BBKMJXUCPUPPAF-SRVKXCTJSA-N -1 1 390.398 1.272 20 0 GDADMM O=C(C[C@@H]1CCCC1(F)F)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1 ZINC001571294211 946128376 /nfs/dbraw/zinc/12/83/76/946128376.db2.gz BBKMJXUCPUPPAF-SRVKXCTJSA-N -1 1 390.398 1.272 20 0 GDADMM O=C([C@@H]1CCCCC1(F)F)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1 ZINC001571294435 946134669 /nfs/dbraw/zinc/13/46/69/946134669.db2.gz GGUMVAIRVMKJNI-SRVKXCTJSA-N -1 1 390.398 1.272 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H](c2nccn2C)c2cccc(F)c2)n1 ZINC000822609812 946137538 /nfs/dbraw/zinc/13/75/38/946137538.db2.gz VWOCLFJOXVFENJ-ZDUSSCGKSA-N -1 1 396.390 1.384 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H](c2nccn2C)c2cccc(F)c2)n1 ZINC000822609812 946137542 /nfs/dbraw/zinc/13/75/42/946137542.db2.gz VWOCLFJOXVFENJ-ZDUSSCGKSA-N -1 1 396.390 1.384 20 0 GDADMM Cc1cc(C(F)F)oc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571295210 946156896 /nfs/dbraw/zinc/15/68/96/946156896.db2.gz VWPCZMOLFCLWNG-VIFPVBQESA-N -1 1 390.354 1.244 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)c1cccc2c1CCC2 ZINC001571297964 946201741 /nfs/dbraw/zinc/20/17/41/946201741.db2.gz FRGDZYSIIGJSOI-MQMHXKEQSA-N -1 1 390.451 1.766 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)c1cccc2c1CCC2 ZINC001571297964 946201752 /nfs/dbraw/zinc/20/17/52/946201752.db2.gz FRGDZYSIIGJSOI-MQMHXKEQSA-N -1 1 390.451 1.766 20 0 GDADMM O=C([C@H](c1ccccc1)C1CC1)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571298133 946205614 /nfs/dbraw/zinc/20/56/14/946205614.db2.gz AJTZDLCWVXHZGO-CRAIPNDOSA-N -1 1 390.451 1.863 20 0 GDADMM O=C([C@H](c1ccccc1)C1CC1)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571298133 946205630 /nfs/dbraw/zinc/20/56/30/946205630.db2.gz AJTZDLCWVXHZGO-CRAIPNDOSA-N -1 1 390.451 1.863 20 0 GDADMM O=C(NCc1ccc(CNc2ccnc(-c3nn[n-]n3)n2)cc1)[C@@H]1C[C@H]1C1CC1 ZINC001571298229 946210890 /nfs/dbraw/zinc/21/08/90/946210890.db2.gz KKXQPOMRRLAUAV-JKSUJKDBSA-N -1 1 390.451 1.353 20 0 GDADMM O=C(NCC1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cccc2c1CCC2 ZINC001571298301 946212208 /nfs/dbraw/zinc/21/22/08/946212208.db2.gz MWRMBQOWHOFWTI-UHFFFAOYSA-N -1 1 390.451 1.188 20 0 GDADMM O=C([C@@H]1CCc2ccccc2C1)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571299140 946239598 /nfs/dbraw/zinc/23/95/98/946239598.db2.gz OHUOEWVUJBGCDN-MRXNPFEDSA-N -1 1 390.451 1.110 20 0 GDADMM O=C([C@@H]1CCc2ccccc2C1)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571299140 946239610 /nfs/dbraw/zinc/23/96/10/946239610.db2.gz OHUOEWVUJBGCDN-MRXNPFEDSA-N -1 1 390.451 1.110 20 0 GDADMM O=C(CCn1cnc2ccccc2c1=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822986949 946247721 /nfs/dbraw/zinc/24/77/21/946247721.db2.gz NMUPZSDQBMBRJF-UHFFFAOYSA-N -1 1 377.364 1.311 20 0 GDADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1csc(Cl)c1 ZINC001571299884 946264547 /nfs/dbraw/zinc/26/45/47/946264547.db2.gz QFJJWFFOZPIPBK-WPRPVWTQSA-N -1 1 390.860 1.509 20 0 GDADMM C[C@@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CN1C(=O)c1cccc2c1CCC2 ZINC001571300112 946271113 /nfs/dbraw/zinc/27/11/13/946271113.db2.gz ZMIVALJMSORGLC-TZMCWYRMSA-N -1 1 390.451 1.861 20 0 GDADMM C[C@@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CN1C(=O)c1cccc2c1CCC2 ZINC001571300112 946271122 /nfs/dbraw/zinc/27/11/22/946271122.db2.gz ZMIVALJMSORGLC-TZMCWYRMSA-N -1 1 390.451 1.861 20 0 GDADMM CC(C)C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)o1)CC(=O)O[C@H]1CCOC1 ZINC001571301968 946287481 /nfs/dbraw/zinc/28/74/81/946287481.db2.gz JZKPYBLGXWHBCQ-STQMWFEESA-N -1 1 391.428 1.574 20 0 GDADMM CC(C)C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)o1)CC(=O)O[C@H]1CCOC1 ZINC001571301968 946287489 /nfs/dbraw/zinc/28/74/89/946287489.db2.gz JZKPYBLGXWHBCQ-STQMWFEESA-N -1 1 391.428 1.574 20 0 GDADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NCc1cc(OCC(F)F)ccn1 ZINC001571302205 946294086 /nfs/dbraw/zinc/29/40/86/946294086.db2.gz RGZALCPIGDHDLT-UHFFFAOYSA-N -1 1 391.338 1.245 20 0 GDADMM CC(=O)N[C@H]1C[C@@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)Oc2ccccc21 ZINC001573493011 946295092 /nfs/dbraw/zinc/29/50/92/946295092.db2.gz FTPBHFBQZZFEIZ-IFXJQAMLSA-N -1 1 392.423 1.266 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c(C2CC2)n1 ZINC001571303094 946324125 /nfs/dbraw/zinc/32/41/25/946324125.db2.gz LHLVNXMIOXFMKK-ZDUSSCGKSA-N -1 1 391.439 1.246 20 0 GDADMM O=C(c1ccnc(C2CC2)c1)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571303677 946345560 /nfs/dbraw/zinc/34/55/60/946345560.db2.gz VJNVPLFEYMFNOX-CQSZACIVSA-N -1 1 391.439 1.646 20 0 GDADMM O=C(c1ccnc(C2CC2)c1)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571303677 946345571 /nfs/dbraw/zinc/34/55/71/946345571.db2.gz VJNVPLFEYMFNOX-CQSZACIVSA-N -1 1 391.439 1.646 20 0 GDADMM Cc1cccc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C23CCC3)n1 ZINC001571303761 946347824 /nfs/dbraw/zinc/34/78/24/946347824.db2.gz XIHXJXPEBQTLLI-GJZGRUSLSA-N -1 1 391.439 1.513 20 0 GDADMM Cc1cccc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C23CCC3)n1 ZINC001571303761 946347838 /nfs/dbraw/zinc/34/78/38/946347838.db2.gz XIHXJXPEBQTLLI-GJZGRUSLSA-N -1 1 391.439 1.513 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2scnc2Cl)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571305872 946380243 /nfs/dbraw/zinc/38/02/43/946380243.db2.gz MNTOAWTZTVHYIF-SFYZADRCSA-N -1 1 391.848 1.164 20 0 GDADMM Cc1nsc(N(C)C[C@@H]2CCN(C(=O)[C@]3(C)CCOC3)C2)c1-c1nn[n-]n1 ZINC001571306089 946386971 /nfs/dbraw/zinc/38/69/71/946386971.db2.gz PGBQNDJHTVSYCE-YVEFUNNKSA-N -1 1 391.501 1.343 20 0 GDADMM Cc1nsc(N2CC[C@@H](NC(=O)C(C)(C)C3CC3)[C@@H](O)C2)c1-c1nn[n-]n1 ZINC001571306500 946402470 /nfs/dbraw/zinc/40/24/70/946402470.db2.gz VPKREYZBSNTSTF-NEPJUHHUSA-N -1 1 391.501 1.124 20 0 GDADMM Cc1nsc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2(F)CCCCC2)c1-c1nn[n-]n1 ZINC001571307084 946415554 /nfs/dbraw/zinc/41/55/54/946415554.db2.gz WACLZKNPYHTYRB-PJXYFTJBSA-N -1 1 391.476 1.855 20 0 GDADMM CN(C[C@H]1CCN(C(=O)[C@@H]2CCC(F)(F)C2)C1)c1nccnc1-c1nnn[n-]1 ZINC001571307603 946424642 /nfs/dbraw/zinc/42/46/42/946424642.db2.gz GELZGODOKHZUQO-VXGBXAGGSA-N -1 1 392.414 1.377 20 0 GDADMM CN(C[C@H]1CCN(C(=O)[C@@H]2CCC(F)(F)C2)C1)c1nccnc1-c1nn[n-]n1 ZINC001571307603 946424645 /nfs/dbraw/zinc/42/46/45/946424645.db2.gz GELZGODOKHZUQO-VXGBXAGGSA-N -1 1 392.414 1.377 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@H](NC(=O)[C@@H]3CCC3(F)F)C2)n1 ZINC001571307567 946425000 /nfs/dbraw/zinc/42/50/00/946425000.db2.gz FDUREMNWDVTMLY-QWRGUYRKSA-N -1 1 392.414 1.349 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@H](NC(=O)[C@@H]3CCC3(F)F)C2)n1 ZINC001571307567 946425009 /nfs/dbraw/zinc/42/50/09/946425009.db2.gz FDUREMNWDVTMLY-QWRGUYRKSA-N -1 1 392.414 1.349 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)N1CCC[C@H](C(F)(F)F)C1 ZINC000823396673 946425306 /nfs/dbraw/zinc/42/53/06/946425306.db2.gz MCXDFPQUJGUTHB-QMMMGPOBSA-N -1 1 389.359 1.886 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)N1CCC[C@H](C(F)(F)F)C1 ZINC000823396673 946425310 /nfs/dbraw/zinc/42/53/10/946425310.db2.gz MCXDFPQUJGUTHB-QMMMGPOBSA-N -1 1 389.359 1.886 20 0 GDADMM CC1(C(=O)N2CC[C@@](C)(CNc3cncc(-c4nnn[n-]4)n3)C2)CC(F)(F)C1 ZINC001571307571 946425316 /nfs/dbraw/zinc/42/53/16/946425316.db2.gz FIZSNFRJGJAWQX-HNNXBMFYSA-N -1 1 392.414 1.743 20 0 GDADMM CC1(C(=O)N2CC[C@@](C)(CNc3cncc(-c4nn[n-]n4)n3)C2)CC(F)(F)C1 ZINC001571307571 946425319 /nfs/dbraw/zinc/42/53/19/946425319.db2.gz FIZSNFRJGJAWQX-HNNXBMFYSA-N -1 1 392.414 1.743 20 0 GDADMM C[C@@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CC1CC(F)(F)C1 ZINC001571308538 946433533 /nfs/dbraw/zinc/43/35/33/946433533.db2.gz QHAIYSFOSOCBLD-PWSUYJOCSA-N -1 1 392.414 1.884 20 0 GDADMM C[C@@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CC1CC(F)(F)C1 ZINC001571308538 946433535 /nfs/dbraw/zinc/43/35/35/946433535.db2.gz QHAIYSFOSOCBLD-PWSUYJOCSA-N -1 1 392.414 1.884 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCC[C@H]2NC(=O)C2CC(F)(F)C2)n1 ZINC001571308882 946438137 /nfs/dbraw/zinc/43/81/37/946438137.db2.gz UIBTZIZLKGTJRB-ZYHUDNBSSA-N -1 1 392.414 1.707 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCC[C@H]2NC(=O)C2CC(F)(F)C2)n1 ZINC001571308882 946438142 /nfs/dbraw/zinc/43/81/42/946438142.db2.gz UIBTZIZLKGTJRB-ZYHUDNBSSA-N -1 1 392.414 1.707 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)[C@H]2CCCCC2(F)F)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571309128 946439608 /nfs/dbraw/zinc/43/96/08/946439608.db2.gz WYTGIVISJZMBKR-UTUOFQBUSA-N -1 1 392.414 1.566 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N(C)C[C@@H]2CCCN2C(=O)[C@@H]2CC2(F)F)n1 ZINC001571309123 946440432 /nfs/dbraw/zinc/44/04/32/946440432.db2.gz WWKRXEUDFPHZJV-QWRGUYRKSA-N -1 1 392.414 1.302 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N(C)C[C@@H]2CCCN2C(=O)[C@@H]2CC2(F)F)n1 ZINC001571309123 946440437 /nfs/dbraw/zinc/44/04/37/946440437.db2.gz WWKRXEUDFPHZJV-QWRGUYRKSA-N -1 1 392.414 1.302 20 0 GDADMM O=C([C@@H]1OCCO[C@@H]1c1ccccc1)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001571309451 946445150 /nfs/dbraw/zinc/44/51/50/946445150.db2.gz AHXNTMKMGBLHEO-QZTJIDSGSA-N -1 1 392.419 1.698 20 0 GDADMM O=C([C@@H]1OCCO[C@@H]1c1ccccc1)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001571309451 946445154 /nfs/dbraw/zinc/44/51/54/946445154.db2.gz AHXNTMKMGBLHEO-QZTJIDSGSA-N -1 1 392.419 1.698 20 0 GDADMM O=C(C[C@H]1OCc2ccccc21)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571309795 946453625 /nfs/dbraw/zinc/45/36/25/946453625.db2.gz LBNKJGZSKLHYFK-CZUORRHYSA-N -1 1 392.423 1.013 20 0 GDADMM O=C(C[C@H]1OCc2ccccc21)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571309795 946453633 /nfs/dbraw/zinc/45/36/33/946453633.db2.gz LBNKJGZSKLHYFK-CZUORRHYSA-N -1 1 392.423 1.013 20 0 GDADMM C[C@H]1Cc2cc(C(=O)N3CC[C@H](Nc4cnc(-c5nnn[n-]5)cn4)C3)ccc2O1 ZINC001571310158 946464539 /nfs/dbraw/zinc/46/45/39/946464539.db2.gz XDFRBVORIUWZTA-FZMZJTMJSA-N -1 1 392.423 1.307 20 0 GDADMM C[C@H]1Cc2cc(C(=O)N3CC[C@H](Nc4cnc(-c5nn[n-]n5)cn4)C3)ccc2O1 ZINC001571310158 946464542 /nfs/dbraw/zinc/46/45/42/946464542.db2.gz XDFRBVORIUWZTA-FZMZJTMJSA-N -1 1 392.423 1.307 20 0 GDADMM O=C(NC[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)[C@H]1CCC(F)(F)C1 ZINC001571310230 946466733 /nfs/dbraw/zinc/46/67/33/946466733.db2.gz ZDFVMLQONOAGFU-NEPJUHHUSA-N -1 1 392.414 1.425 20 0 GDADMM O=C(NC[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)[C@H]1CCC(F)(F)C1 ZINC001571310230 946466736 /nfs/dbraw/zinc/46/67/36/946466736.db2.gz ZDFVMLQONOAGFU-NEPJUHHUSA-N -1 1 392.414 1.425 20 0 GDADMM O=C(c1ccc2c(c1)COC2)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571313818 946531916 /nfs/dbraw/zinc/53/19/16/946531916.db2.gz VYTYDWCRYOYRFK-LBPRGKRZSA-N -1 1 392.423 1.261 20 0 GDADMM O=C(c1ccc2c(c1)COC2)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571313818 946531926 /nfs/dbraw/zinc/53/19/26/946531926.db2.gz VYTYDWCRYOYRFK-LBPRGKRZSA-N -1 1 392.423 1.261 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@](C)(NC(=O)c3cccc(C)c3)C2)n1 ZINC001571314058 946539811 /nfs/dbraw/zinc/53/98/11/946539811.db2.gz ZHKSJOOJKJFQQE-HXUWFJFHSA-N -1 1 392.467 1.926 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@](C)(NC(=O)c3cccc(C)c3)C2)n1 ZINC001571314058 946539818 /nfs/dbraw/zinc/53/98/18/946539818.db2.gz ZHKSJOOJKJFQQE-HXUWFJFHSA-N -1 1 392.467 1.926 20 0 GDADMM Cc1ccc(CC(=O)N2CCC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571314987 946546568 /nfs/dbraw/zinc/54/65/68/946546568.db2.gz FZSHMVZJEWJMCX-MRXNPFEDSA-N -1 1 392.467 1.280 20 0 GDADMM Cc1cc(C)cc(CC(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571316004 946563115 /nfs/dbraw/zinc/56/31/15/946563115.db2.gz RKBXIRCVIQIFTQ-MRXNPFEDSA-N -1 1 392.467 1.601 20 0 GDADMM Cc1cccc([C@H](C)C(=O)N(C)[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571316123 946566029 /nfs/dbraw/zinc/56/60/29/946566029.db2.gz UPLGGLPZZUPUFL-HOCLYGCPSA-N -1 1 392.467 1.806 20 0 GDADMM Cc1cccc([C@H](C)C(=O)N(C)[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571316123 946566038 /nfs/dbraw/zinc/56/60/38/946566038.db2.gz UPLGGLPZZUPUFL-HOCLYGCPSA-N -1 1 392.467 1.806 20 0 GDADMM C[C@H]1CN(C(=O)c2ccn(C)c2)C[C@H]1Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001571317358 946606127 /nfs/dbraw/zinc/60/61/27/946606127.db2.gz DYLARVJYZKCZBW-WCBMZHEXSA-N -1 1 392.876 1.888 20 0 GDADMM C[C@@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)C[C@H]1CNC(=O)c1ccc[nH]1 ZINC001571317361 946609059 /nfs/dbraw/zinc/60/90/59/946609059.db2.gz FCFHLIKBZZPPGM-RKDXNWHRSA-N -1 1 392.876 1.807 20 0 GDADMM C[C@@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)C[C@H]1CNC(=O)c1ccc[nH]1 ZINC001571317361 946609067 /nfs/dbraw/zinc/60/90/67/946609067.db2.gz FCFHLIKBZZPPGM-RKDXNWHRSA-N -1 1 392.876 1.807 20 0 GDADMM C[C@H]1CN(C(=O)c2ccn(C)c2)C[C@@H]1Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001571317359 946609660 /nfs/dbraw/zinc/60/96/60/946609660.db2.gz DYLARVJYZKCZBW-WPRPVWTQSA-N -1 1 392.876 1.888 20 0 GDADMM O=C([C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571317491 946610701 /nfs/dbraw/zinc/61/07/01/946610701.db2.gz JUKACDZEIFJIIJ-NONGLEPHSA-N -1 1 392.467 1.128 20 0 GDADMM O=C([C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571317491 946610708 /nfs/dbraw/zinc/61/07/08/946610708.db2.gz JUKACDZEIFJIIJ-NONGLEPHSA-N -1 1 392.467 1.128 20 0 GDADMM O=C(Cc1ccc[nH]1)NC1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC001571317854 946624542 /nfs/dbraw/zinc/62/45/42/946624542.db2.gz XNHCCBRCKJUKEE-UHFFFAOYSA-N -1 1 392.876 1.632 20 0 GDADMM O=C(Cc1ccc[nH]1)NC1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC001571317854 946624545 /nfs/dbraw/zinc/62/45/45/946624545.db2.gz XNHCCBRCKJUKEE-UHFFFAOYSA-N -1 1 392.876 1.632 20 0 GDADMM Brc1cnc([C@@H]2CCCN(c3cc(-c4nnn[n-]4)ncn3)C2)nc1 ZINC001573279297 946637722 /nfs/dbraw/zinc/63/77/22/946637722.db2.gz HIJIDWUIFKZIBS-SECBINFHSA-N -1 1 388.233 1.593 20 0 GDADMM Brc1cnc([C@@H]2CCCN(c3cc(-c4nn[n-]n4)ncn3)C2)nc1 ZINC001573279297 946637727 /nfs/dbraw/zinc/63/77/27/946637727.db2.gz HIJIDWUIFKZIBS-SECBINFHSA-N -1 1 388.233 1.593 20 0 GDADMM CC(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC[C@@H]1c1cccc(F)c1 ZINC001573538272 946765647 /nfs/dbraw/zinc/76/56/47/946765647.db2.gz RTOKDLPZIJQOKX-HUUCEWRRSA-N -1 1 382.403 1.294 20 0 GDADMM CC(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC[C@@H]1c1cccc(F)c1 ZINC001573538272 946765655 /nfs/dbraw/zinc/76/56/55/946765655.db2.gz RTOKDLPZIJQOKX-HUUCEWRRSA-N -1 1 382.403 1.294 20 0 GDADMM CC(=O)c1cncc(C(=O)Nc2c(-c3nn[n-]n3)nnn2Cc2ccccc2)c1 ZINC001573559059 946948104 /nfs/dbraw/zinc/94/81/04/946948104.db2.gz XAVCEGGXOYJMRD-UHFFFAOYSA-N -1 1 389.379 1.356 20 0 GDADMM CC[C@H]1CN(C)c2ccccc2CN1C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825213422 947123539 /nfs/dbraw/zinc/12/35/39/947123539.db2.gz XRZRSCMQCKKJLY-AWEZNQCLSA-N -1 1 381.440 1.963 20 0 GDADMM CC[C@H]1CN(C)c2ccccc2CN1C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825213422 947123546 /nfs/dbraw/zinc/12/35/46/947123546.db2.gz XRZRSCMQCKKJLY-AWEZNQCLSA-N -1 1 381.440 1.963 20 0 GDADMM CCCCCNC(=O)C1CCN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)CC1 ZINC000825275833 947140301 /nfs/dbraw/zinc/14/03/01/947140301.db2.gz CWFBPDPBJPRWMF-UHFFFAOYSA-N -1 1 389.460 1.251 20 0 GDADMM CCCCCNC(=O)C1CCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)CC1 ZINC000825275833 947140305 /nfs/dbraw/zinc/14/03/05/947140305.db2.gz CWFBPDPBJPRWMF-UHFFFAOYSA-N -1 1 389.460 1.251 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1-c1nn[n-]n1 ZINC000825565057 947226147 /nfs/dbraw/zinc/22/61/47/947226147.db2.gz KTBLAZZRNGWBJQ-NTZNESFSSA-N -1 1 375.433 1.181 20 0 GDADMM CCOC(=O)c1cnn(Cc2ncc(-c3ccc(OC)cc3)o2)c1-c1nn[n-]n1 ZINC000825571329 947235848 /nfs/dbraw/zinc/23/58/48/947235848.db2.gz YEMQJAHFTMZFOO-UHFFFAOYSA-N -1 1 395.379 1.952 20 0 GDADMM C=C/C(C)=C\CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001573315539 947255097 /nfs/dbraw/zinc/25/50/97/947255097.db2.gz CQOULWFIMXMCPM-MQIKOPPFSA-N -1 1 380.456 1.653 20 0 GDADMM C=C/C(C)=C\CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001573315539 947255109 /nfs/dbraw/zinc/25/51/09/947255109.db2.gz CQOULWFIMXMCPM-MQIKOPPFSA-N -1 1 380.456 1.653 20 0 GDADMM C[C@@H](C(=O)N(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)C(F)(F)F ZINC001573592655 947346907 /nfs/dbraw/zinc/34/69/07/947346907.db2.gz DWBDVSXNFDUCDX-GZMMTYOYSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@@H](C(=O)N(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)C(F)(F)F ZINC001573592655 947346924 /nfs/dbraw/zinc/34/69/24/947346924.db2.gz DWBDVSXNFDUCDX-GZMMTYOYSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCCO1 ZINC001573592942 947355090 /nfs/dbraw/zinc/35/50/90/947355090.db2.gz OOBPXPNKOSYVJE-JSGCOSHPSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCCO1 ZINC001573592942 947355102 /nfs/dbraw/zinc/35/51/02/947355102.db2.gz OOBPXPNKOSYVJE-JSGCOSHPSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1nccnc1-c1nnn[n-]1)C(C)(F)F ZINC001573593206 947365635 /nfs/dbraw/zinc/36/56/35/947365635.db2.gz RMXSKEJCQPTVKI-SNVBAGLBSA-N -1 1 382.419 1.845 20 0 GDADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1nccnc1-c1nn[n-]n1)C(C)(F)F ZINC001573593206 947365652 /nfs/dbraw/zinc/36/56/52/947365652.db2.gz RMXSKEJCQPTVKI-SNVBAGLBSA-N -1 1 382.419 1.845 20 0 GDADMM C[C@@H](C(=O)N(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)c1ccco1 ZINC001573594532 947397745 /nfs/dbraw/zinc/39/77/45/947397745.db2.gz PQANDWLUPNFMTM-BXUZGUMPSA-N -1 1 382.428 1.702 20 0 GDADMM C[C@@H](C(=O)N(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)c1ccco1 ZINC001573594532 947397755 /nfs/dbraw/zinc/39/77/55/947397755.db2.gz PQANDWLUPNFMTM-BXUZGUMPSA-N -1 1 382.428 1.702 20 0 GDADMM CNS(=O)(=O)c1ccc(C)c(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1 ZINC000826090945 947425281 /nfs/dbraw/zinc/42/52/81/947425281.db2.gz RLUCUWRGQXWIQL-UHFFFAOYSA-N -1 1 388.409 1.041 20 0 GDADMM C[C@@H](C(=O)N(C)CCNc1ccnc(-c2nn[n-]n2)n1)c1ccc(F)cc1F ZINC001573603416 947487568 /nfs/dbraw/zinc/48/75/68/947487568.db2.gz GLCZKULJCLLMSZ-SNVBAGLBSA-N -1 1 388.382 1.031 20 0 GDADMM CC(C)N(CCN(C)c1nccnc1-c1nnn[n-]1)C(=O)[C@H](C)c1ccco1 ZINC001573603670 947494742 /nfs/dbraw/zinc/49/47/42/947494742.db2.gz JMGZIMPSWXYYQE-CYBMUJFWSA-N -1 1 384.444 1.727 20 0 GDADMM CC(C)N(CCN(C)c1nccnc1-c1nn[n-]n1)C(=O)[C@H](C)c1ccco1 ZINC001573603670 947494748 /nfs/dbraw/zinc/49/47/48/947494748.db2.gz JMGZIMPSWXYYQE-CYBMUJFWSA-N -1 1 384.444 1.727 20 0 GDADMM C[C@@H](C(=O)N(C)CCCNc1cncc(-c2nnn[n-]2)n1)c1ccccc1F ZINC001573604012 947503352 /nfs/dbraw/zinc/50/33/52/947503352.db2.gz QTBAACBTVCIYNI-GFCCVEGCSA-N -1 1 384.419 1.860 20 0 GDADMM C[C@@H](C(=O)N(C)CCCNc1cncc(-c2nn[n-]n2)n1)c1ccccc1F ZINC001573604012 947503365 /nfs/dbraw/zinc/50/33/65/947503365.db2.gz QTBAACBTVCIYNI-GFCCVEGCSA-N -1 1 384.419 1.860 20 0 GDADMM C[C@H](C(=O)N(CCO)CCNc1nc(Cl)c(-c2nnn[n-]2)s1)C1CC1 ZINC001573606930 947533952 /nfs/dbraw/zinc/53/39/52/947533952.db2.gz ASSOYGCJHCPBDD-QMMMGPOBSA-N -1 1 385.881 1.256 20 0 GDADMM C[C@H](C(=O)N(CCO)CCNc1nc(Cl)c(-c2nn[n-]n2)s1)C1CC1 ZINC001573606930 947533964 /nfs/dbraw/zinc/53/39/64/947533964.db2.gz ASSOYGCJHCPBDD-QMMMGPOBSA-N -1 1 385.881 1.256 20 0 GDADMM C[C@@H](C(=O)N(CCO)CCNc1nccnc1-c1nnn[n-]1)[C@@H](C)C(C)(C)C ZINC001573607121 947540008 /nfs/dbraw/zinc/54/00/08/947540008.db2.gz FTFJKAOJAZAHFQ-CHWSQXEVSA-N -1 1 390.492 1.208 20 0 GDADMM C[C@@H](C(=O)N(CCO)CCNc1nccnc1-c1nn[n-]n1)[C@@H](C)C(C)(C)C ZINC001573607121 947540021 /nfs/dbraw/zinc/54/00/21/947540021.db2.gz FTFJKAOJAZAHFQ-CHWSQXEVSA-N -1 1 390.492 1.208 20 0 GDADMM C[C@H](C(=O)N1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1)c1ccco1 ZINC001573613596 947566317 /nfs/dbraw/zinc/56/63/17/947566317.db2.gz CZUADZMIQQKKNX-FZMZJTMJSA-N -1 1 382.428 1.702 20 0 GDADMM C[C@H](C(=O)N1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C1)c1ccco1 ZINC001573613596 947566329 /nfs/dbraw/zinc/56/63/29/947566329.db2.gz CZUADZMIQQKKNX-FZMZJTMJSA-N -1 1 382.428 1.702 20 0 GDADMM COc1ccc(-n2ccc(CNC(=O)Cc3noc(C)c3-c3nnn[n-]3)n2)cc1 ZINC000826186776 947571654 /nfs/dbraw/zinc/57/16/54/947571654.db2.gz KGUUKXXSYAKGCH-UHFFFAOYSA-N -1 1 394.395 1.216 20 0 GDADMM COc1ccc(-n2ccc(CNC(=O)Cc3noc(C)c3-c3nn[n-]n3)n2)cc1 ZINC000826186776 947571659 /nfs/dbraw/zinc/57/16/59/947571659.db2.gz KGUUKXXSYAKGCH-UHFFFAOYSA-N -1 1 394.395 1.216 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573614144 947578170 /nfs/dbraw/zinc/57/81/70/947578170.db2.gz CFQHZNIJVZPXCK-WDEREUQCSA-N -1 1 380.403 1.020 20 0 GDADMM C[C@H](C(=O)N1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C(C)(C)C1)C(C)(F)F ZINC001573614580 947587376 /nfs/dbraw/zinc/58/73/76/947587376.db2.gz MYJMGCAYYPZRCK-KOLCDFICSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@H](C(=O)N1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C(C)(C)C1)C(C)(F)F ZINC001573614580 947587386 /nfs/dbraw/zinc/58/73/86/947587386.db2.gz MYJMGCAYYPZRCK-KOLCDFICSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@H](C(=O)N1CCC(N(C)c2cncc(-c3nnn[n-]3)n2)CC1)C(C)(F)F ZINC001573615254 947602453 /nfs/dbraw/zinc/60/24/53/947602453.db2.gz COUWQZQTFJBXNP-SNVBAGLBSA-N -1 1 380.403 1.375 20 0 GDADMM C[C@H](C(=O)N1CCC(N(C)c2cncc(-c3nn[n-]n3)n2)CC1)C(C)(F)F ZINC001573615254 947602460 /nfs/dbraw/zinc/60/24/60/947602460.db2.gz COUWQZQTFJBXNP-SNVBAGLBSA-N -1 1 380.403 1.375 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)(C)C1)c1ccco1 ZINC001573616158 947617135 /nfs/dbraw/zinc/61/71/35/947617135.db2.gz VOTHRYADVAUIGS-DGCLKSJQSA-N -1 1 382.428 1.124 20 0 GDADMM C[C@@H](C(=O)N1CCC(N(C)c2cnc(-c3nnn[n-]3)cn2)CC1)C(C)(F)F ZINC001573616399 947621173 /nfs/dbraw/zinc/62/11/73/947621173.db2.gz IKJKUXPWSQJWKD-JTQLQIEISA-N -1 1 380.403 1.375 20 0 GDADMM C[C@@H](C(=O)N1CCC(N(C)c2cnc(-c3nn[n-]n3)cn2)CC1)C(C)(F)F ZINC001573616399 947621179 /nfs/dbraw/zinc/62/11/79/947621179.db2.gz IKJKUXPWSQJWKD-JTQLQIEISA-N -1 1 380.403 1.375 20 0 GDADMM C[C@@H](C(=O)N1CCC(C)(Nc2cncc(-c3nnn[n-]3)n2)CC1)[C@@H]1CCCO1 ZINC001573616756 947628294 /nfs/dbraw/zinc/62/82/94/947628294.db2.gz NLDFJNKKJRZDKL-OCCSQVGLSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H](C(=O)N1CCC(C)(Nc2cncc(-c3nn[n-]n3)n2)CC1)[C@@H]1CCCO1 ZINC001573616756 947628300 /nfs/dbraw/zinc/62/83/00/947628300.db2.gz NLDFJNKKJRZDKL-OCCSQVGLSA-N -1 1 386.460 1.265 20 0 GDADMM C=Cc1ccc(C(=O)N(C)CCCN(C)c2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001573352242 947629935 /nfs/dbraw/zinc/62/99/35/947629935.db2.gz ZMYWICORVFQGJT-UHFFFAOYSA-N -1 1 378.440 1.898 20 0 GDADMM C=Cc1ccc(C(=O)N(C)CCCN(C)c2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001573352242 947629937 /nfs/dbraw/zinc/62/99/37/947629937.db2.gz ZMYWICORVFQGJT-UHFFFAOYSA-N -1 1 378.440 1.898 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C2CC2)cc1 ZINC001573356245 947648458 /nfs/dbraw/zinc/64/84/58/947648458.db2.gz VWBAQTJECKXPJJ-INIZCTEOSA-N -1 1 376.424 1.920 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C2CC2)cc1 ZINC001573356245 947648461 /nfs/dbraw/zinc/64/84/61/947648461.db2.gz VWBAQTJECKXPJJ-INIZCTEOSA-N -1 1 376.424 1.920 20 0 GDADMM C/C(=C/C(=O)N(C)C[C@H](O)CNc1snc(C)c1-c1nn[n-]n1)C1CC1 ZINC001573357925 947654011 /nfs/dbraw/zinc/65/40/11/947654011.db2.gz COJQNGBDBHZFFK-OJIASSBASA-N -1 1 377.474 1.219 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CN(C)c2cncc(-c3nnn[n-]3)n2)C1)C(C)(F)F ZINC001573618998 947660094 /nfs/dbraw/zinc/66/00/94/947660094.db2.gz UXNXTNOHDRGCHW-MNOVXSKESA-N -1 1 380.403 1.233 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CN(C)c2cncc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573618998 947660099 /nfs/dbraw/zinc/66/00/99/947660099.db2.gz UXNXTNOHDRGCHW-MNOVXSKESA-N -1 1 380.403 1.233 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1)c1ccsc1 ZINC001573619698 947670536 /nfs/dbraw/zinc/67/05/36/947670536.db2.gz XLIQYDMBOFKRJZ-NWDGAFQWSA-N -1 1 384.469 1.782 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1)c1ccsc1 ZINC001573619698 947670545 /nfs/dbraw/zinc/67/05/45/947670545.db2.gz XLIQYDMBOFKRJZ-NWDGAFQWSA-N -1 1 384.469 1.782 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@@H]1CCCCS1 ZINC000826232735 947682484 /nfs/dbraw/zinc/68/24/84/947682484.db2.gz GOLUSVRLPDPBSZ-LBPRGKRZSA-N -1 1 376.486 1.919 20 0 GDADMM C[C@@H](C(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)c1ccsc1 ZINC001573623731 947690145 /nfs/dbraw/zinc/69/01/45/947690145.db2.gz HZUKMOVXLXVKJV-LLVKDONJSA-N -1 1 384.469 1.347 20 0 GDADMM CC(=O)CCCC(=O)N(C)C1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001573364716 947723879 /nfs/dbraw/zinc/72/38/79/947723879.db2.gz IYUYJWDSZNUKKQ-UHFFFAOYSA-N -1 1 386.460 1.598 20 0 GDADMM CC(=O)CCCC(=O)N(C)C1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001573364716 947723885 /nfs/dbraw/zinc/72/38/85/947723885.db2.gz IYUYJWDSZNUKKQ-UHFFFAOYSA-N -1 1 386.460 1.598 20 0 GDADMM CC(=O)CCCC(=O)N(C)[C@H](CNc1nc(C)cc(-c2nnn[n-]2)n1)C1CC1 ZINC001573365634 947733055 /nfs/dbraw/zinc/73/30/55/947733055.db2.gz MWFHDTQREHVBIJ-OAHLLOKOSA-N -1 1 386.460 1.373 20 0 GDADMM CC(=O)CCCC(=O)N(C)[C@H](CNc1nc(C)cc(-c2nn[n-]n2)n1)C1CC1 ZINC001573365634 947733060 /nfs/dbraw/zinc/73/30/60/947733060.db2.gz MWFHDTQREHVBIJ-OAHLLOKOSA-N -1 1 386.460 1.373 20 0 GDADMM C/C(=C\C(=O)NCC[C@@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1)C1CC1 ZINC001573366832 947748368 /nfs/dbraw/zinc/74/83/68/947748368.db2.gz YQOVVKKXGRNPAP-BRADTZPFSA-N -1 1 382.472 1.654 20 0 GDADMM C/C(=C\C(=O)NCC[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001573366832 947748369 /nfs/dbraw/zinc/74/83/69/947748369.db2.gz YQOVVKKXGRNPAP-BRADTZPFSA-N -1 1 382.472 1.654 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1)C1CCCC1 ZINC001573628848 947764883 /nfs/dbraw/zinc/76/48/83/947764883.db2.gz KPUYRXFBKKHNNQ-UKRRQHHQSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1)C1CCCC1 ZINC001573628848 947764890 /nfs/dbraw/zinc/76/48/90/947764890.db2.gz KPUYRXFBKKHNNQ-UKRRQHHQSA-N -1 1 384.488 1.910 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@@H](C)[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573369220 947772006 /nfs/dbraw/zinc/77/20/06/947772006.db2.gz RQTWZCLKDIXVSB-TZMCWYRMSA-N -1 1 386.460 1.313 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@@H](C)[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573369220 947772010 /nfs/dbraw/zinc/77/20/10/947772010.db2.gz RQTWZCLKDIXVSB-TZMCWYRMSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001573630158 947788810 /nfs/dbraw/zinc/78/88/10/947788810.db2.gz QZZZQQHIYXLZAR-UONOGXRCSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001573630158 947788816 /nfs/dbraw/zinc/78/88/16/947788816.db2.gz QZZZQQHIYXLZAR-UONOGXRCSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1)c1cccnc1 ZINC001573630261 947791404 /nfs/dbraw/zinc/79/14/04/947791404.db2.gz XECFIOTZKDRKQZ-JSGCOSHPSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1)c1cccnc1 ZINC001573630261 947791409 /nfs/dbraw/zinc/79/14/09/947791409.db2.gz XECFIOTZKDRKQZ-JSGCOSHPSA-N -1 1 379.428 1.258 20 0 GDADMM CC(=O)CCCC(=O)N[C@@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001573373505 947795456 /nfs/dbraw/zinc/79/54/56/947795456.db2.gz CUVBVEXEKBYANY-RDTXWAMCSA-N -1 1 384.444 1.034 20 0 GDADMM CC(=O)CCCC(=O)N[C@@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001573373505 947795460 /nfs/dbraw/zinc/79/54/60/947795460.db2.gz CUVBVEXEKBYANY-RDTXWAMCSA-N -1 1 384.444 1.034 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CCC[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573374111 947804942 /nfs/dbraw/zinc/80/49/42/947804942.db2.gz HRBNBPDROARQMW-ZIAGYGMSSA-N -1 1 386.460 1.564 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CCC[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573374111 947804957 /nfs/dbraw/zinc/80/49/57/947804957.db2.gz HRBNBPDROARQMW-ZIAGYGMSSA-N -1 1 386.460 1.564 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573374648 947811703 /nfs/dbraw/zinc/81/17/03/947811703.db2.gz OVLXAKAABOPTLW-CQSZACIVSA-N -1 1 386.460 1.457 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573374648 947811708 /nfs/dbraw/zinc/81/17/08/947811708.db2.gz OVLXAKAABOPTLW-CQSZACIVSA-N -1 1 386.460 1.457 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1)n1cccc1 ZINC001573637490 947815933 /nfs/dbraw/zinc/81/59/33/947815933.db2.gz GHSMHCDECSEIBX-KGLIPLIRSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1)n1cccc1 ZINC001573637490 947815935 /nfs/dbraw/zinc/81/59/35/947815935.db2.gz GHSMHCDECSEIBX-KGLIPLIRSA-N -1 1 381.444 1.512 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573375131 947815997 /nfs/dbraw/zinc/81/59/97/947815997.db2.gz RGORQHYEBLBEHR-AWEZNQCLSA-N -1 1 386.460 1.457 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573375131 947816006 /nfs/dbraw/zinc/81/60/06/947816006.db2.gz RGORQHYEBLBEHR-AWEZNQCLSA-N -1 1 386.460 1.457 20 0 GDADMM Cc1onc(CC(=O)N2CCN(c3ccc(C)c(C)c3)CC2)c1-c1nnn[n-]1 ZINC000826290744 947846373 /nfs/dbraw/zinc/84/63/73/947846373.db2.gz YDXSTZLXRLATKY-UHFFFAOYSA-N -1 1 381.440 1.671 20 0 GDADMM Cc1onc(CC(=O)N2CCN(c3ccc(C)c(C)c3)CC2)c1-c1nn[n-]n1 ZINC000826290744 947846379 /nfs/dbraw/zinc/84/63/79/947846379.db2.gz YDXSTZLXRLATKY-UHFFFAOYSA-N -1 1 381.440 1.671 20 0 GDADMM CC(=O)CCCC(=O)N1C[C@@H](C)[C@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001573377686 947849675 /nfs/dbraw/zinc/84/96/75/947849675.db2.gz QDXBMOKKGTYPLV-TZMCWYRMSA-N -1 1 386.460 1.313 20 0 GDADMM CC(=O)CCCC(=O)N1C[C@@H](C)[C@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001573377686 947849679 /nfs/dbraw/zinc/84/96/79/947849679.db2.gz QDXBMOKKGTYPLV-TZMCWYRMSA-N -1 1 386.460 1.313 20 0 GDADMM CC(=O)CCCC(=O)N[C@H](C)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573378105 947854852 /nfs/dbraw/zinc/85/48/52/947854852.db2.gz VURQQXCARLLJQK-KGLIPLIRSA-N -1 1 386.460 1.137 20 0 GDADMM CC(=O)CCCC(=O)N[C@H](C)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573378105 947854860 /nfs/dbraw/zinc/85/48/60/947854860.db2.gz VURQQXCARLLJQK-KGLIPLIRSA-N -1 1 386.460 1.137 20 0 GDADMM CC(=O)CCCC(=O)NC[C@H]1CCCCN1c1snc(C)c1-c1nn[n-]n1 ZINC001573380718 947863591 /nfs/dbraw/zinc/86/35/91/947863591.db2.gz GSZHKHKGVIVCHY-CYBMUJFWSA-N -1 1 391.501 1.866 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001573380911 947867536 /nfs/dbraw/zinc/86/75/36/947867536.db2.gz JTEPCSJTTLTPIT-JSGCOSHPSA-N -1 1 386.460 1.198 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001573380911 947867539 /nfs/dbraw/zinc/86/75/39/947867539.db2.gz JTEPCSJTTLTPIT-JSGCOSHPSA-N -1 1 386.460 1.198 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H](C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573383775 947895467 /nfs/dbraw/zinc/89/54/67/947895467.db2.gz WVKGLEABXPOEBI-ZDUSSCGKSA-N -1 1 386.460 1.137 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H](C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573383775 947895474 /nfs/dbraw/zinc/89/54/74/947895474.db2.gz WVKGLEABXPOEBI-ZDUSSCGKSA-N -1 1 386.460 1.137 20 0 GDADMM Cc1cnc([C@@H](C)NC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)o1 ZINC000826317612 947928004 /nfs/dbraw/zinc/92/80/04/947928004.db2.gz IYEMEKFPOAMRIN-LLVKDONJSA-N -1 1 395.427 1.633 20 0 GDADMM Cc1cnc([C@@H](C)NC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)o1 ZINC000826317612 947928013 /nfs/dbraw/zinc/92/80/13/947928013.db2.gz IYEMEKFPOAMRIN-LLVKDONJSA-N -1 1 395.427 1.633 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C(C)(C)C)C(F)(F)F ZINC001573653006 947948992 /nfs/dbraw/zinc/94/89/92/947948992.db2.gz IPDPXCZVVCONCS-WCBMZHEXSA-N -1 1 386.382 1.798 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C(C)(C)C)C(F)(F)F ZINC001573653006 947948999 /nfs/dbraw/zinc/94/89/99/947948999.db2.gz IPDPXCZVVCONCS-WCBMZHEXSA-N -1 1 386.382 1.798 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OCCCCCCO ZINC000826328287 947957305 /nfs/dbraw/zinc/95/73/05/947957305.db2.gz MFHFOAHUADRVOI-UHFFFAOYSA-N -1 1 387.444 1.555 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OCCCCCCO ZINC000826328287 947957310 /nfs/dbraw/zinc/95/73/10/947957310.db2.gz MFHFOAHUADRVOI-UHFFFAOYSA-N -1 1 387.444 1.555 20 0 GDADMM Cc1nn(C)c(C)c1[C@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)C(F)(F)F ZINC000826333114 947967130 /nfs/dbraw/zinc/96/71/30/947967130.db2.gz UQHIVXQWJMRIOB-ZDUSSCGKSA-N -1 1 398.349 1.476 20 0 GDADMM Cc1nn(C)c(C)c1[C@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)C(F)(F)F ZINC000826333114 947967136 /nfs/dbraw/zinc/96/71/36/947967136.db2.gz UQHIVXQWJMRIOB-ZDUSSCGKSA-N -1 1 398.349 1.476 20 0 GDADMM Cc1onc(CC(=O)N(C)[C@H]2CCCN(c3ccccc3)C2=O)c1-c1nnn[n-]1 ZINC000826342832 947983375 /nfs/dbraw/zinc/98/33/75/947983375.db2.gz BKNVPJYUKVHTNB-HNNXBMFYSA-N -1 1 395.423 1.360 20 0 GDADMM Cc1onc(CC(=O)N(C)[C@H]2CCCN(c3ccccc3)C2=O)c1-c1nn[n-]n1 ZINC000826342832 947983382 /nfs/dbraw/zinc/98/33/82/947983382.db2.gz BKNVPJYUKVHTNB-HNNXBMFYSA-N -1 1 395.423 1.360 20 0 GDADMM Cc1onc(CC(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)c1-c1nnn[n-]1 ZINC000826342900 947986338 /nfs/dbraw/zinc/98/63/38/947986338.db2.gz DVGCPLCYSMUONA-LLVKDONJSA-N -1 1 393.411 1.506 20 0 GDADMM Cc1onc(CC(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)c1-c1nn[n-]n1 ZINC000826342900 947986343 /nfs/dbraw/zinc/98/63/43/947986343.db2.gz DVGCPLCYSMUONA-LLVKDONJSA-N -1 1 393.411 1.506 20 0 GDADMM Cc1onc(CC(=O)N(Cc2cccs2)C[C@@H]2CCCO2)c1-c1nnn[n-]1 ZINC000826344147 948001844 /nfs/dbraw/zinc/00/18/44/948001844.db2.gz YMJBEGLKDQFEIG-LBPRGKRZSA-N -1 1 388.453 1.975 20 0 GDADMM Cc1onc(CC(=O)N(Cc2cccs2)C[C@@H]2CCCO2)c1-c1nn[n-]n1 ZINC000826344147 948001852 /nfs/dbraw/zinc/00/18/52/948001852.db2.gz YMJBEGLKDQFEIG-LBPRGKRZSA-N -1 1 388.453 1.975 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@@H]2C[C@H](O)c2ccccc2)c1-c1nnn[n-]1 ZINC000826344517 948008962 /nfs/dbraw/zinc/00/89/62/948008962.db2.gz KCUPOORYLGGFKT-ZBFHGGJFSA-N -1 1 382.424 1.820 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@@H]2C[C@H](O)c2ccccc2)c1-c1nn[n-]n1 ZINC000826344517 948008965 /nfs/dbraw/zinc/00/89/65/948008965.db2.gz KCUPOORYLGGFKT-ZBFHGGJFSA-N -1 1 382.424 1.820 20 0 GDADMM C[C@H](C(=O)NC1(CNc2cncc(-c3nnn[n-]3)n2)CCCC1)[C@H]1CCCO1 ZINC001573662410 948025539 /nfs/dbraw/zinc/02/55/39/948025539.db2.gz DHBCMYDMRBBCTM-GXTWGEPZSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](C(=O)NC1(CNc2cncc(-c3nn[n-]n3)n2)CCCC1)[C@H]1CCCO1 ZINC001573662410 948025548 /nfs/dbraw/zinc/02/55/48/948025548.db2.gz DHBCMYDMRBBCTM-GXTWGEPZSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2)C1CCC1 ZINC001573662772 948026880 /nfs/dbraw/zinc/02/68/80/948026880.db2.gz FVDUYWMDYKTYLH-WFASDCNBSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2)C1CCC1 ZINC001573662772 948026889 /nfs/dbraw/zinc/02/68/89/948026889.db2.gz FVDUYWMDYKTYLH-WFASDCNBSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](C(=O)NC1(CNc2cncc(-c3nnn[n-]3)n2)CCOCC1)C1CCC1 ZINC001573662827 948030369 /nfs/dbraw/zinc/03/03/69/948030369.db2.gz HDRMOPWLQDDXNY-LBPRGKRZSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@H](C(=O)NC1(CNc2cncc(-c3nn[n-]n3)n2)CCOCC1)C1CCC1 ZINC001573662827 948030376 /nfs/dbraw/zinc/03/03/76/948030376.db2.gz HDRMOPWLQDDXNY-LBPRGKRZSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](C(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1)c1ccsc1 ZINC001573663507 948036285 /nfs/dbraw/zinc/03/62/85/948036285.db2.gz NBKSWPOHDNQGDZ-XSRFYTQQSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1)c1ccsc1 ZINC001573663507 948036290 /nfs/dbraw/zinc/03/62/90/948036290.db2.gz NBKSWPOHDNQGDZ-XSRFYTQQSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1)c1ccsc1 ZINC001573663508 948036454 /nfs/dbraw/zinc/03/64/54/948036454.db2.gz NBKSWPOHDNQGDZ-ZBOXLXRLSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1)c1ccsc1 ZINC001573663508 948036462 /nfs/dbraw/zinc/03/64/62/948036462.db2.gz NBKSWPOHDNQGDZ-ZBOXLXRLSA-N -1 1 384.469 1.829 20 0 GDADMM Cc1onc(CC(=O)NCCCCOCCc2ccccc2)c1-c1nnn[n-]1 ZINC000826347577 948055631 /nfs/dbraw/zinc/05/56/31/948055631.db2.gz VVMQCXCJKSUIIY-UHFFFAOYSA-N -1 1 384.440 1.861 20 0 GDADMM Cc1onc(CC(=O)NCCCCOCCc2ccccc2)c1-c1nn[n-]n1 ZINC000826347577 948055640 /nfs/dbraw/zinc/05/56/40/948055640.db2.gz VVMQCXCJKSUIIY-UHFFFAOYSA-N -1 1 384.440 1.861 20 0 GDADMM C[C@H](C(=O)NC1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)c1ccco1 ZINC001573665320 948071654 /nfs/dbraw/zinc/07/16/54/948071654.db2.gz KRJYDEKNXFCKBD-HIFPTAJRSA-N -1 1 382.428 1.315 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(C(=O)N(C)C)c(Cl)c2)c1-c1nnn[n-]1 ZINC000826348454 948072227 /nfs/dbraw/zinc/07/22/27/948072227.db2.gz MXLYSZSXLJHOIE-UHFFFAOYSA-N -1 1 389.803 1.700 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(C(=O)N(C)C)c(Cl)c2)c1-c1nn[n-]n1 ZINC000826348454 948072240 /nfs/dbraw/zinc/07/22/40/948072240.db2.gz MXLYSZSXLJHOIE-UHFFFAOYSA-N -1 1 389.803 1.700 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)c1-c1nnn[n-]1 ZINC000826348693 948080954 /nfs/dbraw/zinc/08/09/54/948080954.db2.gz ZIIDJFUEQPDLLK-UHFFFAOYSA-N -1 1 394.388 1.028 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)c1-c1nn[n-]n1 ZINC000826348693 948080963 /nfs/dbraw/zinc/08/09/63/948080963.db2.gz ZIIDJFUEQPDLLK-UHFFFAOYSA-N -1 1 394.388 1.028 20 0 GDADMM Cc1onc(CC(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)c1-c1nnn[n-]1 ZINC000826349028 948085217 /nfs/dbraw/zinc/08/52/17/948085217.db2.gz QGVHJAMSNQDDQV-AWEZNQCLSA-N -1 1 384.396 1.902 20 0 GDADMM Cc1onc(CC(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)c1-c1nn[n-]n1 ZINC000826349028 948085228 /nfs/dbraw/zinc/08/52/28/948085228.db2.gz QGVHJAMSNQDDQV-AWEZNQCLSA-N -1 1 384.396 1.902 20 0 GDADMM C[C@H](C(=O)NC1CC2(C1)CC(Nc1ccnc(-c3nn[n-]n3)n1)C2)C(C)(F)F ZINC001573666432 948086508 /nfs/dbraw/zinc/08/65/08/948086508.db2.gz TUFHAUAVVZYZER-QGPLQOLKSA-N -1 1 392.414 1.209 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C)C1CCC1 ZINC001573675903 948123104 /nfs/dbraw/zinc/12/31/04/948123104.db2.gz RPFDKQNUDPNLJZ-GXTWGEPZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cccc(F)c1 ZINC001573677207 948132275 /nfs/dbraw/zinc/13/22/75/948132275.db2.gz WSXJOXLSNNWFLH-FZMZJTMJSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cccc(F)c1 ZINC001573677207 948132277 /nfs/dbraw/zinc/13/22/77/948132277.db2.gz WSXJOXLSNNWFLH-FZMZJTMJSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@H](CNC(=O)[C@H](C)c1cccc(F)c1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001573679551 948162144 /nfs/dbraw/zinc/16/21/44/948162144.db2.gz KRVWIXMMFFTFGG-VXGBXAGGSA-N -1 1 384.419 1.540 20 0 GDADMM C[C@H](CNC(=O)[C@H](C)c1cccc(F)c1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001573679551 948162146 /nfs/dbraw/zinc/16/21/46/948162146.db2.gz KRVWIXMMFFTFGG-VXGBXAGGSA-N -1 1 384.419 1.540 20 0 GDADMM C[C@H](C(=O)N[C@H]1COC2(CN(Cc3ccc(-c4nn[n-]n4)s3)C2)C1)C1CC1 ZINC001573681662 948210818 /nfs/dbraw/zinc/21/08/18/948210818.db2.gz YQGKKILKCYEQCT-WCQYABFASA-N -1 1 388.497 1.434 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCCC1)c1ccco1 ZINC001573690758 948229992 /nfs/dbraw/zinc/22/99/92/948229992.db2.gz ATYSWEHYUTWUKS-GFCCVEGCSA-N -1 1 382.428 1.894 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCCC1)c1ccco1 ZINC001573690758 948229997 /nfs/dbraw/zinc/22/99/97/948229997.db2.gz ATYSWEHYUTWUKS-GFCCVEGCSA-N -1 1 382.428 1.894 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCCC1)C(F)(F)F ZINC001573691001 948235114 /nfs/dbraw/zinc/23/51/14/948235114.db2.gz CFRHQQHUEKDPKR-VIFPVBQESA-N -1 1 384.366 1.696 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCCC1)C(F)(F)F ZINC001573691001 948235124 /nfs/dbraw/zinc/23/51/24/948235124.db2.gz CFRHQQHUEKDPKR-VIFPVBQESA-N -1 1 384.366 1.696 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCCC1)c1ccco1 ZINC001573691149 948237099 /nfs/dbraw/zinc/23/70/99/948237099.db2.gz DFMIRZJOTQOCDY-GFCCVEGCSA-N -1 1 382.428 1.894 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCCC1)c1ccco1 ZINC001573691149 948237108 /nfs/dbraw/zinc/23/71/08/948237108.db2.gz DFMIRZJOTQOCDY-GFCCVEGCSA-N -1 1 382.428 1.894 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCCC1)C(C)(F)F ZINC001573692201 948259497 /nfs/dbraw/zinc/25/94/97/948259497.db2.gz NACPAWVYVJVRQY-SNVBAGLBSA-N -1 1 380.403 1.789 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCCC1)C(C)(F)F ZINC001573692201 948259504 /nfs/dbraw/zinc/25/95/04/948259504.db2.gz NACPAWVYVJVRQY-SNVBAGLBSA-N -1 1 380.403 1.789 20 0 GDADMM C[C@H](C(=O)NC[C@@]1(C)CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CCC1 ZINC001573693366 948281275 /nfs/dbraw/zinc/28/12/75/948281275.db2.gz SRAPAJJKSHGYON-ORAYPTAESA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NC[C@@]1(C)CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CCC1 ZINC001573693366 948281286 /nfs/dbraw/zinc/28/12/86/948281286.db2.gz SRAPAJJKSHGYON-ORAYPTAESA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573703190 948353688 /nfs/dbraw/zinc/35/36/88/948353688.db2.gz IVJLJXCAPPIOMP-KBPBESRZSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCCN1c1nccnc1-c1nnn[n-]1)n1cccc1 ZINC001573704097 948363457 /nfs/dbraw/zinc/36/34/57/948363457.db2.gz OZLCFLGFYLDQLN-KGLIPLIRSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCCN1c1nccnc1-c1nn[n-]n1)n1cccc1 ZINC001573704097 948363466 /nfs/dbraw/zinc/36/34/66/948363466.db2.gz OZLCFLGFYLDQLN-KGLIPLIRSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)C(C)(F)F ZINC001573704448 948373373 /nfs/dbraw/zinc/37/33/73/948373373.db2.gz SJMVZZQQWABVAM-QWRGUYRKSA-N -1 1 380.403 1.281 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)C(C)(F)F ZINC001573704448 948373378 /nfs/dbraw/zinc/37/33/78/948373378.db2.gz SJMVZZQQWABVAM-QWRGUYRKSA-N -1 1 380.403 1.281 20 0 GDADMM C[C@@H](C(=O)NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C(F)(F)F ZINC001573705411 948399605 /nfs/dbraw/zinc/39/96/05/948399605.db2.gz HRIDCYHJBYEZNF-VIFPVBQESA-N -1 1 384.366 1.188 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CC[C@H](Cc2ccncc2)C1 ZINC000826495344 948409467 /nfs/dbraw/zinc/40/94/67/948409467.db2.gz MOTZEZMNEJRUIH-CYBMUJFWSA-N -1 1 388.428 1.654 20 0 GDADMM C[C@H](C(=O)NCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C(C)(F)F ZINC001573707001 948428104 /nfs/dbraw/zinc/42/81/04/948428104.db2.gz MRVSRCFFCMRANP-SNVBAGLBSA-N -1 1 380.403 1.281 20 0 GDADMM C[C@H](C(=O)NCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C(C)(F)F ZINC001573707001 948428108 /nfs/dbraw/zinc/42/81/08/948428108.db2.gz MRVSRCFFCMRANP-SNVBAGLBSA-N -1 1 380.403 1.281 20 0 GDADMM C[C@@H](C(=O)NCCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C1CCC1 ZINC001573715174 948483576 /nfs/dbraw/zinc/48/35/76/948483576.db2.gz QGKAQKHFLVMWQE-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NCCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C1CCC1 ZINC001573715174 948483581 /nfs/dbraw/zinc/48/35/81/948483581.db2.gz QGKAQKHFLVMWQE-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NCC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)C1CCCC1 ZINC001573715399 948490060 /nfs/dbraw/zinc/49/00/60/948490060.db2.gz VOWFQQVDLDBZIQ-KGLIPLIRSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NCC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)C1CCCC1 ZINC001573715399 948490061 /nfs/dbraw/zinc/49/00/61/948490061.db2.gz VOWFQQVDLDBZIQ-KGLIPLIRSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NCC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C)C(C)(F)F ZINC001573716585 948500059 /nfs/dbraw/zinc/50/00/59/948500059.db2.gz IJHZCPDQSHCPFK-IJLUTSLNSA-N -1 1 394.430 1.527 20 0 GDADMM C[C@H](C(=O)NCC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C)C(C)(F)F ZINC001573716585 948500061 /nfs/dbraw/zinc/50/00/61/948500061.db2.gz IJHZCPDQSHCPFK-IJLUTSLNSA-N -1 1 394.430 1.527 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1snc(Cl)c1-c1nnn[n-]1)C(C)(F)F ZINC001573716976 948502250 /nfs/dbraw/zinc/50/22/50/948502250.db2.gz AASVLXZVLVEYFF-ZCFIWIBFSA-N -1 1 379.824 1.820 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1snc(Cl)c1-c1nn[n-]n1)C(C)(F)F ZINC001573716976 948502257 /nfs/dbraw/zinc/50/22/57/948502257.db2.gz AASVLXZVLVEYFF-ZCFIWIBFSA-N -1 1 379.824 1.820 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001573725618 948543407 /nfs/dbraw/zinc/54/34/07/948543407.db2.gz CICOABARVYMQDA-LPEHRKFASA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001573725618 948543413 /nfs/dbraw/zinc/54/34/13/948543413.db2.gz CICOABARVYMQDA-LPEHRKFASA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1)c1cccnc1 ZINC001573739670 948621208 /nfs/dbraw/zinc/62/12/08/948621208.db2.gz FZLBMSPTKKSKTJ-NGFQHRJXSA-N -1 1 391.439 1.081 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1)c1cccnc1 ZINC001573739670 948621211 /nfs/dbraw/zinc/62/12/11/948621211.db2.gz FZLBMSPTKKSKTJ-NGFQHRJXSA-N -1 1 391.439 1.081 20 0 GDADMM C[C@@H](NC(=O)[C@@H](C)C1CCC1)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573740189 948629491 /nfs/dbraw/zinc/62/94/91/948629491.db2.gz KNWAWVZIMPKDMD-QWHCGFSZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](NC(=O)[C@@H](C)C1CCC1)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573740189 948629496 /nfs/dbraw/zinc/62/94/96/948629496.db2.gz KNWAWVZIMPKDMD-QWHCGFSZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)c1ccc(F)cc1F ZINC001573742235 948659503 /nfs/dbraw/zinc/65/95/03/948659503.db2.gz IWMJUAGGWSOWTR-ZJUUUORDSA-N -1 1 388.382 1.077 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1C)c1cccs1 ZINC001573745749 948675156 /nfs/dbraw/zinc/67/51/56/948675156.db2.gz HSZOWLZLAUNUDB-UTUOFQBUSA-N -1 1 384.469 1.605 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2nccnc2-c2nnn[n-]2)CC1)c1ccco1 ZINC001573748065 948694901 /nfs/dbraw/zinc/69/49/01/948694901.db2.gz ZWULIEHKTYDVLX-JHJVBQTASA-N -1 1 382.428 1.893 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2nccnc2-c2nn[n-]n2)CC1)c1ccco1 ZINC001573748065 948694909 /nfs/dbraw/zinc/69/49/09/948694909.db2.gz ZWULIEHKTYDVLX-JHJVBQTASA-N -1 1 382.428 1.893 20 0 GDADMM CC(C)[C@H](F)C(=O)N1CCC[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574075152 948743584 /nfs/dbraw/zinc/74/35/84/948743584.db2.gz VSOOPGGKCHSANA-DOMZBBRYSA-N -1 1 376.440 1.691 20 0 GDADMM CC(C)[C@H](F)C(=O)N1CCC[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574075152 948743594 /nfs/dbraw/zinc/74/35/94/948743594.db2.gz VSOOPGGKCHSANA-DOMZBBRYSA-N -1 1 376.440 1.691 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@H](C)[C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)nc1 ZINC001574416152 948744247 /nfs/dbraw/zinc/74/42/47/948744247.db2.gz PQHLYGYIJLNPBX-NWDGAFQWSA-N -1 1 381.444 1.216 20 0 GDADMM C[C@H](CNC(=O)CCc1ccc(F)cc1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574914331 948749605 /nfs/dbraw/zinc/74/96/05/948749605.db2.gz INSKHTGKQGJYQQ-LBPRGKRZSA-N -1 1 384.419 1.593 20 0 GDADMM C[C@H](CNC(=O)CCc1ccc(F)cc1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574914331 948749611 /nfs/dbraw/zinc/74/96/11/948749611.db2.gz INSKHTGKQGJYQQ-LBPRGKRZSA-N -1 1 384.419 1.593 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1coc(C(F)F)c1 ZINC001574678400 948750025 /nfs/dbraw/zinc/75/00/25/948750025.db2.gz FKQCQRLZEFELHL-MRVPVSSYSA-N -1 1 378.343 1.808 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1coc(C(F)F)c1 ZINC001574678400 948750034 /nfs/dbraw/zinc/75/00/34/948750034.db2.gz FKQCQRLZEFELHL-MRVPVSSYSA-N -1 1 378.343 1.808 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575221715 948750947 /nfs/dbraw/zinc/75/09/47/948750947.db2.gz BVKFHHLLEBCMAO-NSHDSACASA-N -1 1 392.414 1.165 20 0 GDADMM C[C@H](CNC(=O)CCc1ccc(F)cc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574914662 948753641 /nfs/dbraw/zinc/75/36/41/948753641.db2.gz MBNQBCWIRUANPF-GFCCVEGCSA-N -1 1 384.419 1.370 20 0 GDADMM C[C@H](CNC(=O)CCc1ccc(F)cc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574914662 948753649 /nfs/dbraw/zinc/75/36/49/948753649.db2.gz MBNQBCWIRUANPF-GFCCVEGCSA-N -1 1 384.419 1.370 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@H]2CCCN2c2nccnc2-c2nnn[n-]2)CC1 ZINC001575222801 948760098 /nfs/dbraw/zinc/76/00/98/948760098.db2.gz KJYHWUMGZKIPRP-SNVBAGLBSA-N -1 1 378.387 1.177 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@H]2CCCN2c2nccnc2-c2nn[n-]n2)CC1 ZINC001575222801 948760108 /nfs/dbraw/zinc/76/01/08/948760108.db2.gz KJYHWUMGZKIPRP-SNVBAGLBSA-N -1 1 378.387 1.177 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@@H](C)[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)n1 ZINC001574417043 948762272 /nfs/dbraw/zinc/76/22/72/948762272.db2.gz KBYCIVLOBVFCLY-NEPJUHHUSA-N -1 1 381.444 1.794 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@@H](C)[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)n1 ZINC001574417043 948762275 /nfs/dbraw/zinc/76/22/75/948762275.db2.gz KBYCIVLOBVFCLY-NEPJUHHUSA-N -1 1 381.444 1.794 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)C(C)(C)[C@@H]1CCCCO1 ZINC001574679250 948775188 /nfs/dbraw/zinc/77/51/88/948775188.db2.gz RDSFZNNOWRHPRB-OCCSQVGLSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)C(C)(C)[C@@H]1CCCCO1 ZINC001574679250 948775200 /nfs/dbraw/zinc/77/52/00/948775200.db2.gz RDSFZNNOWRHPRB-OCCSQVGLSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)c1cccc(C(=O)NCC[C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)n1 ZINC001574418458 948777067 /nfs/dbraw/zinc/77/70/67/948777067.db2.gz VWSAXLDSARKRTL-LBPRGKRZSA-N -1 1 381.444 1.218 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001575224157 948777842 /nfs/dbraw/zinc/77/78/42/948777842.db2.gz JRGBWUKXLRVASH-AXFHLTTASA-N -1 1 378.387 1.176 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCc2ccccc2C1 ZINC001574679597 948790018 /nfs/dbraw/zinc/79/00/18/948790018.db2.gz YLKFDBFDSMORBI-CJNGLKHVSA-N -1 1 392.467 1.769 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCc2ccccc2C1 ZINC001574679597 948790027 /nfs/dbraw/zinc/79/00/27/948790027.db2.gz YLKFDBFDSMORBI-CJNGLKHVSA-N -1 1 392.467 1.769 20 0 GDADMM CC(C)c1ccccc1C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCC1 ZINC001574419948 948790226 /nfs/dbraw/zinc/79/02/26/948790226.db2.gz LMEFMZARDKSILO-UHFFFAOYSA-N -1 1 392.467 1.967 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575224745 948791116 /nfs/dbraw/zinc/79/11/16/948791116.db2.gz YFRBLLOWSPHNJX-MNOVXSKESA-N -1 1 392.414 1.789 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575224745 948791126 /nfs/dbraw/zinc/79/11/26/948791126.db2.gz YFRBLLOWSPHNJX-MNOVXSKESA-N -1 1 392.414 1.789 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CCC[C@H]2CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575224747 948791848 /nfs/dbraw/zinc/79/18/48/948791848.db2.gz YFRBLLOWSPHNJX-QWRGUYRKSA-N -1 1 392.414 1.789 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CCC[C@H]2CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575224747 948791861 /nfs/dbraw/zinc/79/18/61/948791861.db2.gz YFRBLLOWSPHNJX-QWRGUYRKSA-N -1 1 392.414 1.789 20 0 GDADMM CC(F)(F)CC(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CCCC1 ZINC001575224772 948792276 /nfs/dbraw/zinc/79/22/76/948792276.db2.gz RAXJWWZDUQBXHL-LLVKDONJSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CC(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001575224772 948792282 /nfs/dbraw/zinc/79/22/82/948792282.db2.gz RAXJWWZDUQBXHL-LLVKDONJSA-N -1 1 380.403 1.789 20 0 GDADMM CC(C)c1ccccc1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574420209 948794982 /nfs/dbraw/zinc/79/49/82/948794982.db2.gz QGNJEZMZHVSHIT-ZDUSSCGKSA-N -1 1 378.440 1.789 20 0 GDADMM CC(C)c1ccccc1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574420209 948794993 /nfs/dbraw/zinc/79/49/93/948794993.db2.gz QGNJEZMZHVSHIT-ZDUSSCGKSA-N -1 1 378.440 1.789 20 0 GDADMM CC(C)[C@@H](F)C(=O)NCCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574080761 948800685 /nfs/dbraw/zinc/80/06/85/948800685.db2.gz NBTMFGVIUMLUCW-OAHLLOKOSA-N -1 1 376.440 1.374 20 0 GDADMM CC(C)[C@@H](F)C(=O)NCCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574080761 948800698 /nfs/dbraw/zinc/80/06/98/948800698.db2.gz NBTMFGVIUMLUCW-OAHLLOKOSA-N -1 1 376.440 1.374 20 0 GDADMM CC(C)c1ccoc1C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574420822 948804719 /nfs/dbraw/zinc/80/47/19/948804719.db2.gz AXPDYUMOYJEHOV-GFCCVEGCSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1ccoc1C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574420822 948804731 /nfs/dbraw/zinc/80/47/31/948804731.db2.gz AXPDYUMOYJEHOV-GFCCVEGCSA-N -1 1 382.428 1.772 20 0 GDADMM C[C@H](C(=O)Nc1ccnc(C(=O)OC(C)(C)C)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001573756260 948806423 /nfs/dbraw/zinc/80/64/23/948806423.db2.gz YFKZVFOZASFNCQ-SECBINFHSA-N -1 1 385.388 1.008 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cscc1Cl ZINC001574680436 948806370 /nfs/dbraw/zinc/80/63/70/948806370.db2.gz GYVWZMIXMRYLPI-QMMMGPOBSA-N -1 1 378.849 1.992 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cscc1Cl ZINC001574680436 948806389 /nfs/dbraw/zinc/80/63/89/948806389.db2.gz GYVWZMIXMRYLPI-QMMMGPOBSA-N -1 1 378.849 1.992 20 0 GDADMM CC(C)[C@@H](F)C(=O)NC[C@]12CCC[C@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001574081082 948814348 /nfs/dbraw/zinc/81/43/48/948814348.db2.gz PLFHJJGTWQIJAT-DDUZABMNSA-N -1 1 388.451 1.516 20 0 GDADMM CC(C)[C@@H](F)C(=O)NC[C@]12CCC[C@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001574081082 948814370 /nfs/dbraw/zinc/81/43/70/948814370.db2.gz PLFHJJGTWQIJAT-DDUZABMNSA-N -1 1 388.451 1.516 20 0 GDADMM CC(C)c1ccoc1C(=O)NC[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001574421690 948818769 /nfs/dbraw/zinc/81/87/69/948818769.db2.gz MXLDSEVYTFLYNT-ZDUSSCGKSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1ccoc1C(=O)NC[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001574421690 948818786 /nfs/dbraw/zinc/81/87/86/948818786.db2.gz MXLDSEVYTFLYNT-ZDUSSCGKSA-N -1 1 382.428 1.994 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001574681866 948823912 /nfs/dbraw/zinc/82/39/12/948823912.db2.gz OJYMOZDGPQKUAU-YUELXQCFSA-N -1 1 378.440 1.767 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001574681866 948823933 /nfs/dbraw/zinc/82/39/33/948823933.db2.gz OJYMOZDGPQKUAU-YUELXQCFSA-N -1 1 378.440 1.767 20 0 GDADMM CC(C)c1ccoc1C(=O)N1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574421981 948827422 /nfs/dbraw/zinc/82/74/22/948827422.db2.gz SMZADLQRBVXMOA-GFCCVEGCSA-N -1 1 382.428 1.724 20 0 GDADMM CC(C)c1ccoc1C(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574421981 948827436 /nfs/dbraw/zinc/82/74/36/948827436.db2.gz SMZADLQRBVXMOA-GFCCVEGCSA-N -1 1 382.428 1.724 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC001575227378 948830401 /nfs/dbraw/zinc/83/04/01/948830401.db2.gz VMVHMCSJWQFJIT-NEPJUHHUSA-N -1 1 378.387 1.272 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC001575227378 948830421 /nfs/dbraw/zinc/83/04/21/948830421.db2.gz VMVHMCSJWQFJIT-NEPJUHHUSA-N -1 1 378.387 1.272 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@H]2[C@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575227766 948832135 /nfs/dbraw/zinc/83/21/35/948832135.db2.gz ZLTNABSCQIWXFZ-MNOVXSKESA-N -1 1 378.387 1.129 20 0 GDADMM C[C@H](C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1)[C@H](C)C(C)(C)C ZINC001573757237 948832931 /nfs/dbraw/zinc/83/29/31/948832931.db2.gz YYCPBCGIQNSXGA-QWRGUYRKSA-N -1 1 376.465 1.683 20 0 GDADMM C[C@H](C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1)[C@H](C)C(C)(C)C ZINC001573757237 948832952 /nfs/dbraw/zinc/83/29/52/948832952.db2.gz YYCPBCGIQNSXGA-QWRGUYRKSA-N -1 1 376.465 1.683 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)COc1ccccc1F ZINC001574683263 948847895 /nfs/dbraw/zinc/84/78/95/948847895.db2.gz WTKWMTCDUJADAC-LLVKDONJSA-N -1 1 386.391 1.182 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)COc1ccccc1F ZINC001574683263 948847910 /nfs/dbraw/zinc/84/79/10/948847910.db2.gz WTKWMTCDUJADAC-LLVKDONJSA-N -1 1 386.391 1.182 20 0 GDADMM CC(C)c1nc(C(=O)N[C@H](C)[C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)cs1 ZINC001574424580 948860476 /nfs/dbraw/zinc/86/04/76/948860476.db2.gz QWGMSOVLJTWGIC-NXEZZACHSA-N -1 1 387.473 1.277 20 0 GDADMM CC(F)(F)CC(=O)N[C@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001575229794 948862555 /nfs/dbraw/zinc/86/25/55/948862555.db2.gz UDEWKGCIPIHVQV-XYPYZODXSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CC(=O)N[C@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001575229794 948862576 /nfs/dbraw/zinc/86/25/76/948862576.db2.gz UDEWKGCIPIHVQV-XYPYZODXSA-N -1 1 380.403 1.789 20 0 GDADMM CC(C)c1nc(C(=O)N[C@@H](C)[C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)cs1 ZINC001574424930 948863816 /nfs/dbraw/zinc/86/38/16/948863816.db2.gz XGJMGMNJXNWGML-ZJUUUORDSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1nc(C(=O)N[C@@H](C)[C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)cs1 ZINC001574424930 948863833 /nfs/dbraw/zinc/86/38/33/948863833.db2.gz XGJMGMNJXNWGML-ZJUUUORDSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)[C@]1(C)C[C@H]1C(=O)N(C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574083827 948894990 /nfs/dbraw/zinc/89/49/90/948894990.db2.gz YQGPOXXNUDSZAI-LIRRHRJNSA-N -1 1 384.488 1.766 20 0 GDADMM CC(C)[C@]1(C)C[C@H]1C(=O)N(C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574083827 948895008 /nfs/dbraw/zinc/89/50/08/948895008.db2.gz YQGPOXXNUDSZAI-LIRRHRJNSA-N -1 1 384.488 1.766 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001575234343 948897369 /nfs/dbraw/zinc/89/73/69/948897369.db2.gz BCNWOPYIHDXEQS-NEPJUHHUSA-N -1 1 392.414 1.662 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@H](C)[C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)s1 ZINC001574427143 948900709 /nfs/dbraw/zinc/90/07/09/948900709.db2.gz ALKIAEHWXINFJI-NXEZZACHSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@H](C)[C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)s1 ZINC001574427143 948900717 /nfs/dbraw/zinc/90/07/17/948900717.db2.gz ALKIAEHWXINFJI-NXEZZACHSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@@H](C)[C@H](C)Nc2nccnc2-c2nnn[n-]2)s1 ZINC001574427683 948906350 /nfs/dbraw/zinc/90/63/50/948906350.db2.gz KVBDGQRIYHRCDB-UWVGGRQHSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@@H](C)[C@H](C)Nc2nccnc2-c2nn[n-]n2)s1 ZINC001574427683 948906359 /nfs/dbraw/zinc/90/63/59/948906359.db2.gz KVBDGQRIYHRCDB-UWVGGRQHSA-N -1 1 387.473 1.856 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1[C@H]2CN(c3nc(Cl)c(-c4nnn[n-]4)s3)C[C@H]21 ZINC001575235131 948912746 /nfs/dbraw/zinc/91/27/46/948912746.db2.gz JGGVBKCFCFOFNA-BDINMYNLSA-N -1 1 389.819 1.573 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1[C@H]2CN(c3nc(Cl)c(-c4nn[n-]n4)s3)C[C@H]21 ZINC001575235131 948912759 /nfs/dbraw/zinc/91/27/59/948912759.db2.gz JGGVBKCFCFOFNA-BDINMYNLSA-N -1 1 389.819 1.573 20 0 GDADMM CC(C)[C@]1(C)C[C@@H]1C(=O)NC1(C)CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574088185 948914505 /nfs/dbraw/zinc/91/45/05/948914505.db2.gz DDQYQJYXRGOADV-YJYMSZOUSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)[C@]1(C)C[C@@H]1C(=O)NC1(C)CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574088185 948914512 /nfs/dbraw/zinc/91/45/12/948914512.db2.gz DDQYQJYXRGOADV-YJYMSZOUSA-N -1 1 384.488 1.814 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@]12CCC[C@@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001575235564 948922176 /nfs/dbraw/zinc/92/21/76/948922176.db2.gz OWVTWVINMIDKKO-YVEFUNNKSA-N -1 1 392.414 1.710 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@]12CCC[C@@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001575235564 948922187 /nfs/dbraw/zinc/92/21/87/948922187.db2.gz OWVTWVINMIDKKO-YVEFUNNKSA-N -1 1 392.414 1.710 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)s1 ZINC001574428082 948924110 /nfs/dbraw/zinc/92/41/10/948924110.db2.gz ZQBJECQIAWJOHZ-AOOOYVTPSA-N -1 1 385.457 1.031 20 0 GDADMM CC(F)(F)CCC(=O)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575235860 948930269 /nfs/dbraw/zinc/93/02/69/948930269.db2.gz RXQGLMYFGIBJPW-LLVKDONJSA-N -1 1 380.403 1.885 20 0 GDADMM CC(F)(F)CCC(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575235860 948930275 /nfs/dbraw/zinc/93/02/75/948930275.db2.gz RXQGLMYFGIBJPW-LLVKDONJSA-N -1 1 380.403 1.885 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)NC1CC2(C1)CC(Nc1cncc(-c3nnn[n-]3)n1)C2 ZINC001574088701 948931500 /nfs/dbraw/zinc/93/15/00/948931500.db2.gz DCCZPWIKCDTOBC-SBDXJAJFSA-N -1 1 382.472 1.788 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)NC1CC2(C1)CC(Nc1cncc(-c3nn[n-]n3)n1)C2 ZINC001574088701 948931525 /nfs/dbraw/zinc/93/15/25/948931525.db2.gz DCCZPWIKCDTOBC-SBDXJAJFSA-N -1 1 382.472 1.788 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N(C)[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574432736 948939717 /nfs/dbraw/zinc/93/97/17/948939717.db2.gz CLCOGESIGZPVQU-NSHDSACASA-N -1 1 384.448 1.086 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N(C)[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574432736 948939730 /nfs/dbraw/zinc/93/97/30/948939730.db2.gz CLCOGESIGZPVQU-NSHDSACASA-N -1 1 384.448 1.086 20 0 GDADMM CC(C)(C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1)C(F)F ZINC001573771656 948945250 /nfs/dbraw/zinc/94/52/50/948945250.db2.gz KCQUSEMFYJCTLF-FGWVZKOKSA-N -1 1 392.414 1.564 20 0 GDADMM CC(C)(C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1)C(F)F ZINC001573771656 948945266 /nfs/dbraw/zinc/94/52/66/948945266.db2.gz KCQUSEMFYJCTLF-FGWVZKOKSA-N -1 1 392.414 1.564 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001575237897 948947597 /nfs/dbraw/zinc/94/75/97/948947597.db2.gz ITDCCRARKICRFR-LBPRGKRZSA-N -1 1 392.414 1.567 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001575237897 948947606 /nfs/dbraw/zinc/94/76/06/948947606.db2.gz ITDCCRARKICRFR-LBPRGKRZSA-N -1 1 392.414 1.567 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574433165 948948023 /nfs/dbraw/zinc/94/80/23/948948023.db2.gz JSDWEEJHZBZLMC-MGCOHNPYSA-N -1 1 385.457 1.031 20 0 GDADMM CC(C)[C@]1(C)C[C@@H]1C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001574089359 948952791 /nfs/dbraw/zinc/95/27/91/948952791.db2.gz JNHYZIYEUBMZHL-ACJLOTCBSA-N -1 1 384.488 1.602 20 0 GDADMM C[C@@H](CNC(=O)CCn1cccn1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574923546 948954069 /nfs/dbraw/zinc/95/40/69/948954069.db2.gz PJRKORVJZNSKAT-QMMMGPOBSA-N -1 1 381.853 1.180 20 0 GDADMM C[C@@H](CNC(=O)CCn1cccn1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574923546 948954075 /nfs/dbraw/zinc/95/40/75/948954075.db2.gz PJRKORVJZNSKAT-QMMMGPOBSA-N -1 1 381.853 1.180 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575239070 948958524 /nfs/dbraw/zinc/95/85/24/948958524.db2.gz QAUKQULUNWCHQR-WDEREUQCSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575239070 948958536 /nfs/dbraw/zinc/95/85/36/948958536.db2.gz QAUKQULUNWCHQR-WDEREUQCSA-N -1 1 380.403 1.789 20 0 GDADMM CC(C)[C@H]1C[C@@H](C(=O)NCC2(Nc3cnc(-c4nnn[n-]4)cn3)CC2)CCO1 ZINC001574090364 948988648 /nfs/dbraw/zinc/98/86/48/948988648.db2.gz IYTCEFBQFKULLX-GXTWGEPZSA-N -1 1 386.460 1.169 20 0 GDADMM CC(C)[C@H]1C[C@@H](C(=O)NCC2(Nc3cnc(-c4nn[n-]n4)cn3)CC2)CCO1 ZINC001574090364 948988658 /nfs/dbraw/zinc/98/86/58/948988658.db2.gz IYTCEFBQFKULLX-GXTWGEPZSA-N -1 1 386.460 1.169 20 0 GDADMM CC(C)(C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCCC1)C(F)F ZINC001573773764 948992085 /nfs/dbraw/zinc/99/20/85/948992085.db2.gz HADZAOGCLUNIBV-UHFFFAOYSA-N -1 1 380.403 1.789 20 0 GDADMM CC(C)(C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCCC1)C(F)F ZINC001573773764 948992095 /nfs/dbraw/zinc/99/20/95/948992095.db2.gz HADZAOGCLUNIBV-UHFFFAOYSA-N -1 1 380.403 1.789 20 0 GDADMM CC(C)(C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CC1)C1CCOCC1 ZINC001573773975 948996040 /nfs/dbraw/zinc/99/60/40/948996040.db2.gz HGZGIFXTOYMLLD-UHFFFAOYSA-N -1 1 386.460 1.170 20 0 GDADMM CC(C)(C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CC1)C1CCOCC1 ZINC001573773975 948996048 /nfs/dbraw/zinc/99/60/48/948996048.db2.gz HGZGIFXTOYMLLD-UHFFFAOYSA-N -1 1 386.460 1.170 20 0 GDADMM CC(C)c1nnc(N2CCc3[nH]c(=O)c(-c4nn[n-]n4)cc3C2)n1CC1CC1 ZINC001574435592 948998719 /nfs/dbraw/zinc/99/87/19/948998719.db2.gz WDJNMPGCZCFZNQ-UHFFFAOYSA-N -1 1 381.444 1.655 20 0 GDADMM CC(C)c1nnsc1C(=O)N[C@H](C)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574439817 949012058 /nfs/dbraw/zinc/01/20/58/949012058.db2.gz JBOVZNPPAOXRGI-RKDXNWHRSA-N -1 1 388.461 1.251 20 0 GDADMM CC(C)c1nnsc1C(=O)N[C@H](C)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574439817 949012078 /nfs/dbraw/zinc/01/20/78/949012078.db2.gz JBOVZNPPAOXRGI-RKDXNWHRSA-N -1 1 388.461 1.251 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1)C(F)F ZINC001573774866 949023651 /nfs/dbraw/zinc/02/36/51/949023651.db2.gz XKTGJKULQDMTPL-LURJTMIESA-N -1 1 391.835 1.963 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1)C(F)F ZINC001573774866 949023667 /nfs/dbraw/zinc/02/36/67/949023667.db2.gz XKTGJKULQDMTPL-LURJTMIESA-N -1 1 391.835 1.963 20 0 GDADMM CC(C)c1nnsc1C(=O)N(C)[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001574440841 949038917 /nfs/dbraw/zinc/03/89/17/949038917.db2.gz WIVDGBXVRZHBCM-VIFPVBQESA-N -1 1 388.461 1.204 20 0 GDADMM CC(C)c1nnsc1C(=O)N(C)[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001574440841 949038937 /nfs/dbraw/zinc/03/89/37/949038937.db2.gz WIVDGBXVRZHBCM-VIFPVBQESA-N -1 1 388.461 1.204 20 0 GDADMM CC(C)(C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CC1)c1ccccc1 ZINC001573779257 949053302 /nfs/dbraw/zinc/05/33/02/949053302.db2.gz FIZYNBBAJKXLJR-UHFFFAOYSA-N -1 1 378.440 1.695 20 0 GDADMM CC(C)(C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CC1)c1ccccc1 ZINC001573779257 949053318 /nfs/dbraw/zinc/05/33/18/949053318.db2.gz FIZYNBBAJKXLJR-UHFFFAOYSA-N -1 1 378.440 1.695 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1)C(F)F ZINC001573779223 949053625 /nfs/dbraw/zinc/05/36/25/949053625.db2.gz DLHCCLOWUDHPIW-JTQLQIEISA-N -1 1 380.403 1.423 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1)C(F)F ZINC001573779223 949053644 /nfs/dbraw/zinc/05/36/44/949053644.db2.gz DLHCCLOWUDHPIW-JTQLQIEISA-N -1 1 380.403 1.423 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573779001 949054374 /nfs/dbraw/zinc/05/43/74/949054374.db2.gz CARHKYXLKWCFKN-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573779001 949054398 /nfs/dbraw/zinc/05/43/98/949054398.db2.gz CARHKYXLKWCFKN-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CN(C)C(=O)C(C)(C)CC(F)(F)F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574693787 949061470 /nfs/dbraw/zinc/06/14/70/949061470.db2.gz JIVWBJFVBKWZDA-SECBINFHSA-N -1 1 386.382 1.894 20 0 GDADMM C[C@H](CN(C)C(=O)C(C)(C)CC(F)(F)F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574693787 949061482 /nfs/dbraw/zinc/06/14/82/949061482.db2.gz JIVWBJFVBKWZDA-SECBINFHSA-N -1 1 386.382 1.894 20 0 GDADMM CC(C)c1occc1C(=O)N1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574441615 949065862 /nfs/dbraw/zinc/06/58/62/949065862.db2.gz PEKCUGXKDYVBOE-LBPRGKRZSA-N -1 1 382.428 1.724 20 0 GDADMM CC(C)c1occc1C(=O)N1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574441615 949065873 /nfs/dbraw/zinc/06/58/73/949065873.db2.gz PEKCUGXKDYVBOE-LBPRGKRZSA-N -1 1 382.428 1.724 20 0 GDADMM C[C@H](CN(C)C(=O)C(C)(C)CC(F)(F)F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574694094 949069786 /nfs/dbraw/zinc/06/97/86/949069786.db2.gz KUERTFOXDIJFMA-SECBINFHSA-N -1 1 386.382 1.316 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1)C1CCC1 ZINC001573780264 949083834 /nfs/dbraw/zinc/08/38/34/949083834.db2.gz UVPRRJIIZRVJIK-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1)C1CCC1 ZINC001573780264 949083852 /nfs/dbraw/zinc/08/38/52/949083852.db2.gz UVPRRJIIZRVJIK-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)c1csnn1 ZINC001574694649 949087888 /nfs/dbraw/zinc/08/78/88/949087888.db2.gz TYOOWYSQMULFOA-YFKPBYRVSA-N -1 1 385.866 1.449 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)c1csnn1 ZINC001574694649 949087909 /nfs/dbraw/zinc/08/79/09/949087909.db2.gz TYOOWYSQMULFOA-YFKPBYRVSA-N -1 1 385.866 1.449 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001574443128 949103420 /nfs/dbraw/zinc/10/34/20/949103420.db2.gz VCKFLRVIARZKLQ-ZDUSSCGKSA-N -1 1 385.432 1.635 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001574443128 949103433 /nfs/dbraw/zinc/10/34/33/949103433.db2.gz VCKFLRVIARZKLQ-ZDUSSCGKSA-N -1 1 385.432 1.635 20 0 GDADMM CC(C)(C(=O)NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1)C(F)(F)F ZINC001573781218 949105094 /nfs/dbraw/zinc/10/50/94/949105094.db2.gz DTSSLICBIPFCCE-UHFFFAOYSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)Cc1ccc2c(c1)CCC2 ZINC001574695613 949117251 /nfs/dbraw/zinc/11/72/51/949117251.db2.gz JDQUVHFIFQATAT-CYBMUJFWSA-N -1 1 392.467 1.695 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)Cc1ccc2c(c1)CCC2 ZINC001574695613 949117260 /nfs/dbraw/zinc/11/72/60/949117260.db2.gz JDQUVHFIFQATAT-CYBMUJFWSA-N -1 1 392.467 1.695 20 0 GDADMM CC(C)c1occc1C(=O)NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001574446567 949133671 /nfs/dbraw/zinc/13/36/71/949133671.db2.gz REAPELNTQLYAGT-GFCCVEGCSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1occc1C(=O)NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001574446567 949133686 /nfs/dbraw/zinc/13/36/86/949133686.db2.gz REAPELNTQLYAGT-GFCCVEGCSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)(C(=O)NCC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)C1CCC1 ZINC001573782773 949135070 /nfs/dbraw/zinc/13/50/70/949135070.db2.gz YFARQXQYTVJDMS-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C(=O)NCC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573782773 949135085 /nfs/dbraw/zinc/13/50/85/949135085.db2.gz YFARQXQYTVJDMS-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)[C@H]1C[C@H](C(=O)NCC2(Nc3nccnc3-c3nnn[n-]3)CC2)CCO1 ZINC001574094453 949138082 /nfs/dbraw/zinc/13/80/82/949138082.db2.gz WEESPLNYPFZKLO-CHWSQXEVSA-N -1 1 386.460 1.169 20 0 GDADMM CC(C)[C@H]1C[C@H](C(=O)NCC2(Nc3nccnc3-c3nn[n-]n3)CC2)CCO1 ZINC001574094453 949138091 /nfs/dbraw/zinc/13/80/91/949138091.db2.gz WEESPLNYPFZKLO-CHWSQXEVSA-N -1 1 386.460 1.169 20 0 GDADMM CC(C)c1nnsc1C(=O)N[C@@H](C)CCNc1nccnc1-c1nnn[n-]1 ZINC001574697012 949146835 /nfs/dbraw/zinc/14/68/35/949146835.db2.gz XBJMMACHCBWEMA-VIFPVBQESA-N -1 1 388.461 1.252 20 0 GDADMM CC(C)c1nnsc1C(=O)N[C@@H](C)CCNc1nccnc1-c1nn[n-]n1 ZINC001574697012 949146844 /nfs/dbraw/zinc/14/68/44/949146844.db2.gz XBJMMACHCBWEMA-VIFPVBQESA-N -1 1 388.461 1.252 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574446993 949148231 /nfs/dbraw/zinc/14/82/31/949148231.db2.gz FFTWETPRBNRHRN-LLVKDONJSA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574446993 949148242 /nfs/dbraw/zinc/14/82/42/949148242.db2.gz FFTWETPRBNRHRN-LLVKDONJSA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1ocnc1C(=O)NCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001574447098 949150537 /nfs/dbraw/zinc/15/05/37/949150537.db2.gz GANIZOILJYABTH-UHFFFAOYSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1ocnc1C(=O)NCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001574447098 949150549 /nfs/dbraw/zinc/15/05/49/949150549.db2.gz GANIZOILJYABTH-UHFFFAOYSA-N -1 1 383.416 1.167 20 0 GDADMM C[C@@H](NC(=O)C1(CF)CCC1)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575252291 949158943 /nfs/dbraw/zinc/15/89/43/949158943.db2.gz FDTLJGPIUNFXSK-OLZOCXBDSA-N -1 1 388.451 1.518 20 0 GDADMM C[C@@H](NC(=O)C1(CF)CCC1)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575252291 949158927 /nfs/dbraw/zinc/15/89/27/949158927.db2.gz FDTLJGPIUNFXSK-OLZOCXBDSA-N -1 1 388.451 1.518 20 0 GDADMM CC(C)c1ocnc1C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001574447463 949162220 /nfs/dbraw/zinc/16/22/20/949162220.db2.gz OLIGIUKCIKCLMK-LLVKDONJSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1ocnc1C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001574447463 949162239 /nfs/dbraw/zinc/16/22/39/949162239.db2.gz OLIGIUKCIKCLMK-LLVKDONJSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)C1CCCC1 ZINC001573787187 949168146 /nfs/dbraw/zinc/16/81/46/949168146.db2.gz OOLLXBQNZOMXBO-VIKVFOODSA-N -1 1 382.472 1.424 20 0 GDADMM CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)C1CCCC1 ZINC001573787187 949168155 /nfs/dbraw/zinc/16/81/55/949168155.db2.gz OOLLXBQNZOMXBO-VIKVFOODSA-N -1 1 382.472 1.424 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H](C)c1cccc(F)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574698045 949169880 /nfs/dbraw/zinc/16/98/80/949169880.db2.gz FOEUYBJGMFCMLT-NEPJUHHUSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H](C)c1cccc(F)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574698045 949169892 /nfs/dbraw/zinc/16/98/92/949169892.db2.gz FOEUYBJGMFCMLT-NEPJUHHUSA-N -1 1 384.419 1.858 20 0 GDADMM CC(C)c1oncc1C(=O)N1CC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001574448313 949184312 /nfs/dbraw/zinc/18/43/12/949184312.db2.gz HVKMUYAUAIIYST-NSHDSACASA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1oncc1C(=O)N1CC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001574448313 949184322 /nfs/dbraw/zinc/18/43/22/949184322.db2.gz HVKMUYAUAIIYST-NSHDSACASA-N -1 1 383.416 1.119 20 0 GDADMM C[C@@H](NC(=O)C1(C(F)F)CC1)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575253462 949187655 /nfs/dbraw/zinc/18/76/55/949187655.db2.gz UFVDKEOHLMPNRN-MNOVXSKESA-N -1 1 392.414 1.423 20 0 GDADMM C[C@@H](NC(=O)C1(C(F)F)CC1)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575253462 949187667 /nfs/dbraw/zinc/18/76/67/949187667.db2.gz UFVDKEOHLMPNRN-MNOVXSKESA-N -1 1 392.414 1.423 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(F)cc1F)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574935392 949199561 /nfs/dbraw/zinc/19/95/61/949199561.db2.gz BFOZKPAMMNYKCJ-JTQLQIEISA-N -1 1 388.382 1.342 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(F)cc1F)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574935392 949199573 /nfs/dbraw/zinc/19/95/73/949199573.db2.gz BFOZKPAMMNYKCJ-JTQLQIEISA-N -1 1 388.382 1.342 20 0 GDADMM CC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)c2cncc(F)c2)CC1 ZINC001575853692 949218028 /nfs/dbraw/zinc/21/80/28/949218028.db2.gz XTGHWVWHRYGAPC-UHFFFAOYSA-N -1 1 383.391 1.298 20 0 GDADMM CC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)c2cncc(F)c2)CC1 ZINC001575853692 949218046 /nfs/dbraw/zinc/21/80/46/949218046.db2.gz XTGHWVWHRYGAPC-UHFFFAOYSA-N -1 1 383.391 1.298 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(F)c(F)c1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574936877 949220186 /nfs/dbraw/zinc/22/01/86/949220186.db2.gz LSLQYQQFMYUXGB-JTQLQIEISA-N -1 1 388.382 1.119 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(F)c(F)c1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574936877 949220206 /nfs/dbraw/zinc/22/02/06/949220206.db2.gz LSLQYQQFMYUXGB-JTQLQIEISA-N -1 1 388.382 1.119 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(F)cc1Cl)Nc1nccnc1-c1nnn[n-]1 ZINC001574936852 949221934 /nfs/dbraw/zinc/22/19/34/949221934.db2.gz LPAIKZSWJKLTEC-SECBINFHSA-N -1 1 390.810 1.609 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(F)cc1Cl)Nc1nccnc1-c1nn[n-]n1 ZINC001574936852 949221954 /nfs/dbraw/zinc/22/19/54/949221954.db2.gz LPAIKZSWJKLTEC-SECBINFHSA-N -1 1 390.810 1.609 20 0 GDADMM C[C@H](CNC(=O)Cc1cc2ccccc2o1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574936786 949222285 /nfs/dbraw/zinc/22/22/85/949222285.db2.gz KUKNBOWFDJEKKV-LLVKDONJSA-N -1 1 378.396 1.562 20 0 GDADMM C[C@H](CNC(=O)Cc1cc2ccccc2o1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574936786 949222308 /nfs/dbraw/zinc/22/23/08/949222308.db2.gz KUKNBOWFDJEKKV-LLVKDONJSA-N -1 1 378.396 1.562 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H](F)Cc1ccccc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574699477 949237846 /nfs/dbraw/zinc/23/78/46/949237846.db2.gz VICMCJXXBBVTAH-GXTWGEPZSA-N -1 1 384.419 1.496 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H](F)Cc1ccccc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574699477 949237867 /nfs/dbraw/zinc/23/78/67/949237867.db2.gz VICMCJXXBBVTAH-GXTWGEPZSA-N -1 1 384.419 1.496 20 0 GDADMM CC(C)(C)C(=O)N1CCC(Cn2c3c(cc(-c4nn[n-]n4)c2=O)CCC3)CC1 ZINC001573792121 949240797 /nfs/dbraw/zinc/24/07/97/949240797.db2.gz KXOXCJCGCNFYEJ-UHFFFAOYSA-N -1 1 384.484 1.802 20 0 GDADMM CC(C)c1scnc1C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574451761 949241547 /nfs/dbraw/zinc/24/15/47/949241547.db2.gz XMWRTNFCJYTNTA-JTQLQIEISA-N -1 1 385.457 1.563 20 0 GDADMM CC(C)c1scnc1C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574451761 949241569 /nfs/dbraw/zinc/24/15/69/949241569.db2.gz XMWRTNFCJYTNTA-JTQLQIEISA-N -1 1 385.457 1.563 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(F)cc1Cl)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574938418 949243322 /nfs/dbraw/zinc/24/33/22/949243322.db2.gz VLLWIIIXMORWKX-VIFPVBQESA-N -1 1 390.810 1.609 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(F)cc1Cl)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574938418 949243338 /nfs/dbraw/zinc/24/33/38/949243338.db2.gz VLLWIIIXMORWKX-VIFPVBQESA-N -1 1 390.810 1.609 20 0 GDADMM CC(C)n1cc(C(=O)NC[C@H](Nc2nccnc2-c2nnn[n-]2)C2CC2)cn1 ZINC001574451962 949246790 /nfs/dbraw/zinc/24/67/90/949246790.db2.gz BZZKJEGTAJZJQQ-ZDUSSCGKSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cc(C(=O)NC[C@H](Nc2nccnc2-c2nn[n-]n2)C2CC2)cn1 ZINC001574451962 949246813 /nfs/dbraw/zinc/24/68/13/949246813.db2.gz BZZKJEGTAJZJQQ-ZDUSSCGKSA-N -1 1 382.432 1.055 20 0 GDADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)c2sccc2F)CC1 ZINC001575856609 949251774 /nfs/dbraw/zinc/25/17/74/949251774.db2.gz IKBRBQHLYFWEOE-UHFFFAOYSA-N -1 1 388.432 1.964 20 0 GDADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)c2sccc2F)CC1 ZINC001575856609 949251794 /nfs/dbraw/zinc/25/17/94/949251794.db2.gz IKBRBQHLYFWEOE-UHFFFAOYSA-N -1 1 388.432 1.964 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc2c(c1)CCC2)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574940426 949263992 /nfs/dbraw/zinc/26/39/92/949263992.db2.gz FSJZMLYRHMKZPF-CYBMUJFWSA-N -1 1 392.467 1.552 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc2c(c1)CCC2)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574940426 949264008 /nfs/dbraw/zinc/26/40/08/949264008.db2.gz FSJZMLYRHMKZPF-CYBMUJFWSA-N -1 1 392.467 1.552 20 0 GDADMM C[C@@H](NC(=O)C1(C2CC2)CC1)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575257164 949266153 /nfs/dbraw/zinc/26/61/53/949266153.db2.gz YOSXMVMQXBWKLN-CHWSQXEVSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](NC(=O)C1(C2CC2)CC1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575257164 949266171 /nfs/dbraw/zinc/26/61/71/949266171.db2.gz YOSXMVMQXBWKLN-CHWSQXEVSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H]1CCC[C@@]1(C)C(=O)NCC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001576152859 949266515 /nfs/dbraw/zinc/26/65/15/949266515.db2.gz KCWFVVNKDZMUBN-BFUOFWGJSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H]1CCC[C@@]1(C)C(=O)NCC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001576152859 949266535 /nfs/dbraw/zinc/26/65/35/949266535.db2.gz KCWFVVNKDZMUBN-BFUOFWGJSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](NC(=O)C1(CF)CCC1)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575257158 949266848 /nfs/dbraw/zinc/26/68/48/949266848.db2.gz YNGTZYKYFQMFFH-OLZOCXBDSA-N -1 1 388.451 1.518 20 0 GDADMM C[C@@H](NC(=O)C1(CF)CCC1)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575257158 949266867 /nfs/dbraw/zinc/26/68/67/949266867.db2.gz YNGTZYKYFQMFFH-OLZOCXBDSA-N -1 1 388.451 1.518 20 0 GDADMM C[C@H](CN(C)C(=O)C1(C(F)F)CCCC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574701787 949268627 /nfs/dbraw/zinc/26/86/27/949268627.db2.gz DJNPAJYAZPIVER-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CN(C)C(=O)C1(C(F)F)CCCC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574701787 949268649 /nfs/dbraw/zinc/26/86/49/949268649.db2.gz DJNPAJYAZPIVER-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CN(C)C(=O)C1(c2ccccn2)CC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574702092 949272807 /nfs/dbraw/zinc/27/28/07/949272807.db2.gz GNCFDINCERAPDX-GFCCVEGCSA-N -1 1 379.428 1.042 20 0 GDADMM C[C@H](CN(C)C(=O)C1(c2ccccn2)CC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574702092 949272831 /nfs/dbraw/zinc/27/28/31/949272831.db2.gz GNCFDINCERAPDX-GFCCVEGCSA-N -1 1 379.428 1.042 20 0 GDADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)c2ccccc2O)CC1 ZINC001575857864 949278492 /nfs/dbraw/zinc/27/84/92/949278492.db2.gz WZASPHKHCLMCRH-UHFFFAOYSA-N -1 1 380.412 1.469 20 0 GDADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)c2ccccc2O)CC1 ZINC001575857864 949278511 /nfs/dbraw/zinc/27/85/11/949278511.db2.gz WZASPHKHCLMCRH-UHFFFAOYSA-N -1 1 380.412 1.469 20 0 GDADMM C[C@@H]1CCC[C@H](OCC(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001576153340 949287597 /nfs/dbraw/zinc/28/75/97/949287597.db2.gz LYGWFVXQFDKVPR-MQYQWHSLSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H]1CCC[C@H](OCC(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001576153340 949287623 /nfs/dbraw/zinc/28/76/23/949287623.db2.gz LYGWFVXQFDKVPR-MQYQWHSLSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@H](CN(C)C(=O)C1(c2ccccn2)CC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574702809 949295322 /nfs/dbraw/zinc/29/53/22/949295322.db2.gz MFVKFRHQMBZHFE-GFCCVEGCSA-N -1 1 379.428 1.042 20 0 GDADMM C[C@H](CN(C)C(=O)C1(c2ccccn2)CC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574702809 949295340 /nfs/dbraw/zinc/29/53/40/949295340.db2.gz MFVKFRHQMBZHFE-GFCCVEGCSA-N -1 1 379.428 1.042 20 0 GDADMM C[C@H](CNC(=O)Cc1ccccc1Cl)CNc1nccnc1-c1nnn[n-]1 ZINC001574941403 949297891 /nfs/dbraw/zinc/29/78/91/949297891.db2.gz QAHNUQSIKHDDSO-LLVKDONJSA-N -1 1 386.847 1.717 20 0 GDADMM C[C@H](CNC(=O)Cc1ccccc1Cl)CNc1nccnc1-c1nn[n-]n1 ZINC001574941403 949297909 /nfs/dbraw/zinc/29/79/09/949297909.db2.gz QAHNUQSIKHDDSO-LLVKDONJSA-N -1 1 386.847 1.717 20 0 GDADMM CC1(C(=O)N(CCNc2nccnc2-c2nnn[n-]2)Cc2ccccc2)CC1 ZINC001575524440 949317971 /nfs/dbraw/zinc/31/79/71/949317971.db2.gz JDTMFFQRXKTGCF-UHFFFAOYSA-N -1 1 378.440 1.898 20 0 GDADMM CC1(C(=O)N(CCNc2nccnc2-c2nn[n-]n2)Cc2ccccc2)CC1 ZINC001575524440 949318000 /nfs/dbraw/zinc/31/80/00/949318000.db2.gz JDTMFFQRXKTGCF-UHFFFAOYSA-N -1 1 378.440 1.898 20 0 GDADMM CC1=C(C)C[C@H](C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001575862137 949340409 /nfs/dbraw/zinc/34/04/09/949340409.db2.gz XWXVDNCSCRNJIJ-CABCVRRESA-N -1 1 382.472 1.878 20 0 GDADMM CC1=C(C)C[C@H](C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001575862137 949340431 /nfs/dbraw/zinc/34/04/31/949340431.db2.gz XWXVDNCSCRNJIJ-CABCVRRESA-N -1 1 382.472 1.878 20 0 GDADMM CC(C)(C)C(=O)N1CCO[C@@H](CNc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573797057 949347414 /nfs/dbraw/zinc/34/74/14/949347414.db2.gz ZGEWSQXWGFTUML-QMMMGPOBSA-N -1 1 385.881 1.662 20 0 GDADMM CC(C)(C)C(=O)N1CCO[C@@H](CNc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573797057 949347436 /nfs/dbraw/zinc/34/74/36/949347436.db2.gz ZGEWSQXWGFTUML-QMMMGPOBSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@H](NC(=O)C1=COCCC1)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575260141 949350490 /nfs/dbraw/zinc/35/04/90/949350490.db2.gz UZGPWDXFVATHHT-QWHCGFSZSA-N -1 1 384.444 1.072 20 0 GDADMM C[C@@H](CN(C)C(=O)C1(c2cccnc2)CC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574703910 949357240 /nfs/dbraw/zinc/35/72/40/949357240.db2.gz HJIIUGLGEPFFKW-LBPRGKRZSA-N -1 1 379.428 1.042 20 0 GDADMM C[C@@H](CN(C)C(=O)C1(c2cccnc2)CC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574703910 949357261 /nfs/dbraw/zinc/35/72/61/949357261.db2.gz HJIIUGLGEPFFKW-LBPRGKRZSA-N -1 1 379.428 1.042 20 0 GDADMM CC1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575527706 949376851 /nfs/dbraw/zinc/37/68/51/949376851.db2.gz GCUMMBJCAWRTIU-JLNYLFASSA-N -1 1 380.456 1.130 20 0 GDADMM CC1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575527706 949376872 /nfs/dbraw/zinc/37/68/72/949376872.db2.gz GCUMMBJCAWRTIU-JLNYLFASSA-N -1 1 380.456 1.130 20 0 GDADMM C[C@@H]1CCC[C@@H]1CC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001576155308 949396621 /nfs/dbraw/zinc/39/66/21/949396621.db2.gz HWUNIMPMDLSWGS-TUVASFSCSA-N -1 1 382.472 1.378 20 0 GDADMM CC(C)n1cnc(C(=O)NCC2(Nc3cncc(-c4nnn[n-]4)n3)CCC2)c1 ZINC001574464159 949398265 /nfs/dbraw/zinc/39/82/65/949398265.db2.gz HNVJPDQMRMKJDE-UHFFFAOYSA-N -1 1 382.432 1.199 20 0 GDADMM CC(C)n1cnc(C(=O)NCC2(Nc3cncc(-c4nn[n-]n4)n3)CCC2)c1 ZINC001574464159 949398283 /nfs/dbraw/zinc/39/82/83/949398283.db2.gz HNVJPDQMRMKJDE-UHFFFAOYSA-N -1 1 382.432 1.199 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCOC1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574704906 949413381 /nfs/dbraw/zinc/41/33/81/949413381.db2.gz FXKIQDTWYHFFBQ-DTWKUNHWSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCOC1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574704906 949413391 /nfs/dbraw/zinc/41/33/91/949413391.db2.gz FXKIQDTWYHFFBQ-DTWKUNHWSA-N -1 1 385.881 1.662 20 0 GDADMM CC[C@H]1CCCN(C(C)(C)CNC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C1 ZINC001589623510 949444054 /nfs/dbraw/zinc/44/40/54/949444054.db2.gz UKTVSQGJDRPDCL-AWEZNQCLSA-N -1 1 388.530 1.283 20 0 GDADMM C[C@H](NC(=O)CC(C)(C)CC(F)F)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575265292 949447733 /nfs/dbraw/zinc/44/77/33/949447733.db2.gz TXTMSKAOBFBOOV-UWVGGRQHSA-N -1 1 382.419 1.455 20 0 GDADMM C[C@@H]1CCC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576156519 949448430 /nfs/dbraw/zinc/44/84/30/949448430.db2.gz WXSVKOAIZMLFFS-BARDWOONSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H]1CCC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576156519 949448443 /nfs/dbraw/zinc/44/84/43/949448443.db2.gz WXSVKOAIZMLFFS-BARDWOONSA-N -1 1 382.472 1.663 20 0 GDADMM CC(C)n1nccc1C(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574468553 949463206 /nfs/dbraw/zinc/46/32/06/949463206.db2.gz PNQYVYCERWENCO-LBPRGKRZSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1nccc1C(=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574468553 949463228 /nfs/dbraw/zinc/46/32/28/949463228.db2.gz PNQYVYCERWENCO-LBPRGKRZSA-N -1 1 382.432 1.151 20 0 GDADMM CC1(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CCC(F)(F)CC1 ZINC001575536507 949473163 /nfs/dbraw/zinc/47/31/63/949473163.db2.gz IIKYUIYLKPJPQN-LLVKDONJSA-N -1 1 392.414 1.885 20 0 GDADMM CC1(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CCC(F)(F)CC1 ZINC001575536507 949473184 /nfs/dbraw/zinc/47/31/84/949473184.db2.gz IIKYUIYLKPJPQN-LLVKDONJSA-N -1 1 392.414 1.885 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1ccc[nH]1 ZINC001576158127 949491844 /nfs/dbraw/zinc/49/18/44/949491844.db2.gz SEASBSGFZOGPST-SGTLLEGYSA-N -1 1 381.444 1.776 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ccc[nH]1 ZINC001576158127 949491857 /nfs/dbraw/zinc/49/18/57/949491857.db2.gz SEASBSGFZOGPST-SGTLLEGYSA-N -1 1 381.444 1.776 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccc[nH]1 ZINC001576158448 949494970 /nfs/dbraw/zinc/49/49/70/949494970.db2.gz SUHRRQCOSDMDJZ-XIKOKIGWSA-N -1 1 381.444 1.776 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccc[nH]1 ZINC001576158448 949494987 /nfs/dbraw/zinc/49/49/87/949494987.db2.gz SUHRRQCOSDMDJZ-XIKOKIGWSA-N -1 1 381.444 1.776 20 0 GDADMM CC(C)CC(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCC1(F)F ZINC001574119194 949497933 /nfs/dbraw/zinc/49/79/33/949497933.db2.gz IYOQJYWNTXFSSV-NSHDSACASA-N -1 1 380.403 1.281 20 0 GDADMM CC(C)CC(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCC1(F)F ZINC001574119194 949497954 /nfs/dbraw/zinc/49/79/54/949497954.db2.gz IYOQJYWNTXFSSV-NSHDSACASA-N -1 1 380.403 1.281 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cn[nH]c1 ZINC001576158524 949499804 /nfs/dbraw/zinc/49/98/04/949499804.db2.gz TZVGKQSLECNOIX-GTNSWQLSSA-N -1 1 382.432 1.171 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cn[nH]c1 ZINC001576158524 949499809 /nfs/dbraw/zinc/49/98/09/949499809.db2.gz TZVGKQSLECNOIX-GTNSWQLSSA-N -1 1 382.432 1.171 20 0 GDADMM C[C@H](NC(=O)CC1CCCC1)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575267630 949504877 /nfs/dbraw/zinc/50/48/77/949504877.db2.gz IYXNXQYYPWBDHX-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](NC(=O)CC1CCCC1)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575267630 949504901 /nfs/dbraw/zinc/50/49/01/949504901.db2.gz IYXNXQYYPWBDHX-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CNC(=O)[C@@H](C)Cc1ccccc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574949741 949509374 /nfs/dbraw/zinc/50/93/74/949509374.db2.gz CCXSHBGYHIMAHF-UONOGXRCSA-N -1 1 380.456 1.476 20 0 GDADMM C[C@H](CNC(=O)[C@@H](C)Cc1ccccc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574949741 949509388 /nfs/dbraw/zinc/50/93/88/949509388.db2.gz CCXSHBGYHIMAHF-UONOGXRCSA-N -1 1 380.456 1.476 20 0 GDADMM CC1(C(=O)N2CCC[C@H]([C@@H]3CCN(c4cnc(-c5nnn[n-]5)cn4)C3)C2)CC1 ZINC001575538178 949512578 /nfs/dbraw/zinc/51/25/78/949512578.db2.gz DLJRWMNPHKJMBG-UONOGXRCSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C(=O)N2CCC[C@H]([C@@H]3CCN(c4cnc(-c5nn[n-]n5)cn4)C3)C2)CC1 ZINC001575538178 949512592 /nfs/dbraw/zinc/51/25/92/949512592.db2.gz DLJRWMNPHKJMBG-UONOGXRCSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H]1CCCN(C(=O)C2=CCCC2)[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576163869 949540118 /nfs/dbraw/zinc/54/01/18/949540118.db2.gz DENMVOLCLXMJIF-ZFWWWQNUSA-N -1 1 382.472 1.618 20 0 GDADMM C[C@]1(C(=O)N2CCC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CCCOC1 ZINC001575539544 949547709 /nfs/dbraw/zinc/54/77/09/949547709.db2.gz QMAFLOVRXNKRPC-ACJLOTCBSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@]1(C(=O)N2CCC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CCCOC1 ZINC001575539544 949547733 /nfs/dbraw/zinc/54/77/33/949547733.db2.gz QMAFLOVRXNKRPC-ACJLOTCBSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2(F)CCCC2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576164550 949554714 /nfs/dbraw/zinc/55/47/14/949554714.db2.gz HCCKZKDPFGDYFA-TZMCWYRMSA-N -1 1 388.451 1.978 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2(F)CCCC2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576164550 949554732 /nfs/dbraw/zinc/55/47/32/949554732.db2.gz HCCKZKDPFGDYFA-TZMCWYRMSA-N -1 1 388.451 1.978 20 0 GDADMM C[C@H]1CCCN(C(=O)C2CC(F)(F)C2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576164874 949557791 /nfs/dbraw/zinc/55/77/91/949557791.db2.gz IBNQPIQARMQXCA-GWCFXTLKSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@H]1CCCN(C(=O)C2CC(F)(F)C2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576164874 949557799 /nfs/dbraw/zinc/55/77/99/949557799.db2.gz IBNQPIQARMQXCA-GWCFXTLKSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2CC(C)(C)C2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576164910 949558559 /nfs/dbraw/zinc/55/85/59/949558559.db2.gz IFZXBNNOXXFRDN-OCCSQVGLSA-N -1 1 384.488 1.554 20 0 GDADMM CC(C)C[C@H](C(=O)N[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1)n1ccnc1 ZINC001574124120 949566120 /nfs/dbraw/zinc/56/61/20/949566120.db2.gz CEIXCTCAHNWNRV-GXTWGEPZSA-N -1 1 384.448 1.057 20 0 GDADMM CC(C)C[C@H](C(=O)N[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574124120 949566133 /nfs/dbraw/zinc/56/61/33/949566133.db2.gz CEIXCTCAHNWNRV-GXTWGEPZSA-N -1 1 384.448 1.057 20 0 GDADMM CC1(C(=O)N2CC[C@]3(CCN(c4cnc(-c5nnn[n-]5)cn4)C3)C2)CCCC1 ZINC001575540552 949567152 /nfs/dbraw/zinc/56/71/52/949567152.db2.gz XVGDOVXLXBWHFK-IBGZPJMESA-N -1 1 382.472 1.666 20 0 GDADMM CC1(C(=O)N2CC[C@]3(CCN(c4cnc(-c5nn[n-]n5)cn4)C3)C2)CCCC1 ZINC001575540552 949567166 /nfs/dbraw/zinc/56/71/66/949567166.db2.gz XVGDOVXLXBWHFK-IBGZPJMESA-N -1 1 382.472 1.666 20 0 GDADMM C[C@@H]1CCCN(C(=O)C(=O)C(C)(C)C)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576165350 949568168 /nfs/dbraw/zinc/56/81/68/949568168.db2.gz JTCALMWSPGIEFN-YPMHNXCESA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H]1CCCN(C(=O)C(=O)C(C)(C)C)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576165350 949568183 /nfs/dbraw/zinc/56/81/83/949568183.db2.gz JTCALMWSPGIEFN-YPMHNXCESA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1CCc2ccccc2C1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574712365 949572899 /nfs/dbraw/zinc/57/28/99/949572899.db2.gz RISPQJFYJRQVLR-XJKSGUPXSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1CCc2ccccc2C1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574712365 949572924 /nfs/dbraw/zinc/57/29/24/949572924.db2.gz RISPQJFYJRQVLR-XJKSGUPXSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@H](NC(=O)CC1(O)CCC1)[C@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575270183 949575104 /nfs/dbraw/zinc/57/51/04/949575104.db2.gz YJLGYCWJBCIZMY-YUMQZZPRSA-N -1 1 385.881 1.587 20 0 GDADMM C[C@H](NC(=O)CC1(O)CCC1)[C@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575270183 949575119 /nfs/dbraw/zinc/57/51/19/949575119.db2.gz YJLGYCWJBCIZMY-YUMQZZPRSA-N -1 1 385.881 1.587 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2CC3(CCC3)C2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575873357 949578745 /nfs/dbraw/zinc/57/87/45/949578745.db2.gz OLFYVUHQRZJTRG-JSGCOSHPSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2CCOCC2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576166690 949587331 /nfs/dbraw/zinc/58/73/31/949587331.db2.gz NQDYFLZIUCJCLL-DOMZBBRYSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2CCOCC2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576166690 949587341 /nfs/dbraw/zinc/58/73/41/949587341.db2.gz NQDYFLZIUCJCLL-DOMZBBRYSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2CC3(CCC3)C2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575874187 949607029 /nfs/dbraw/zinc/60/70/29/949607029.db2.gz RZDQBAPXHXIRFE-GXTWGEPZSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2CC3(CCC3)C2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575874187 949607043 /nfs/dbraw/zinc/60/70/43/949607043.db2.gz RZDQBAPXHXIRFE-GXTWGEPZSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2C(C)(C)C2(C)C)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575874428 949613652 /nfs/dbraw/zinc/61/36/52/949613652.db2.gz SMMWOCOGKUSQJR-RYUDHWBXSA-N -1 1 384.488 1.812 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2C(C)(C)C2(C)C)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575874428 949613661 /nfs/dbraw/zinc/61/36/61/949613661.db2.gz SMMWOCOGKUSQJR-RYUDHWBXSA-N -1 1 384.488 1.812 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2CCC=CCC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575874537 949615126 /nfs/dbraw/zinc/61/51/26/949615126.db2.gz STRVVCYDIHZJNV-UKRRQHHQSA-N -1 1 382.472 1.877 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2CCC=CCC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575874537 949615139 /nfs/dbraw/zinc/61/51/39/949615139.db2.gz STRVVCYDIHZJNV-UKRRQHHQSA-N -1 1 382.472 1.877 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574957551 949618026 /nfs/dbraw/zinc/61/80/26/949618026.db2.gz AXVZTMGUVRFBHY-PTAUBWNISA-N -1 1 378.440 1.551 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574957551 949618048 /nfs/dbraw/zinc/61/80/48/949618048.db2.gz AXVZTMGUVRFBHY-PTAUBWNISA-N -1 1 378.440 1.551 20 0 GDADMM CC1(C(=O)N2CCC[C@H]3[C@@H]2CCN3c2nccnc2-c2nnn[n-]2)CCCC1 ZINC001575547012 949621789 /nfs/dbraw/zinc/62/17/89/949621789.db2.gz VLXYMMNRSDSVEO-KBPBESRZSA-N -1 1 382.472 1.807 20 0 GDADMM CC1(C(=O)N2CCC[C@H]3[C@@H]2CCN3c2nccnc2-c2nn[n-]n2)CCCC1 ZINC001575547012 949621798 /nfs/dbraw/zinc/62/17/98/949621798.db2.gz VLXYMMNRSDSVEO-KBPBESRZSA-N -1 1 382.472 1.807 20 0 GDADMM C[C@@H](NC(=O)CCCC1CC1)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575272290 949635848 /nfs/dbraw/zinc/63/58/48/949635848.db2.gz OOVZIDVEQZXVEX-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](NC(=O)CCCC1CC1)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575272290 949635866 /nfs/dbraw/zinc/63/58/66/949635866.db2.gz OOVZIDVEQZXVEX-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](NC(=O)CCCC1CC1)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575272289 949638877 /nfs/dbraw/zinc/63/88/77/949638877.db2.gz OOVZIDVEQZXVEX-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](NC(=O)CCCC1CC1)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575272289 949638893 /nfs/dbraw/zinc/63/88/93/949638893.db2.gz OOVZIDVEQZXVEX-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cncc(F)c1 ZINC001573814705 949644863 /nfs/dbraw/zinc/64/48/63/949644863.db2.gz FFESPITWMUQEPN-CYBMUJFWSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cncc(F)c1 ZINC001573814705 949644871 /nfs/dbraw/zinc/64/48/71/949644871.db2.gz FFESPITWMUQEPN-CYBMUJFWSA-N -1 1 385.407 1.447 20 0 GDADMM C[C@@H](CC(=O)N(C)CCCN(C)c1cncc(-c2nnn[n-]2)n1)c1ccco1 ZINC001574477256 949649372 /nfs/dbraw/zinc/64/93/72/949649372.db2.gz PLORCAJLFGDFSW-ZDUSSCGKSA-N -1 1 384.444 1.728 20 0 GDADMM C[C@@H](CC(=O)N(C)CCCN(C)c1cncc(-c2nn[n-]n2)n1)c1ccco1 ZINC001574477256 949649384 /nfs/dbraw/zinc/64/93/84/949649384.db2.gz PLORCAJLFGDFSW-ZDUSSCGKSA-N -1 1 384.444 1.728 20 0 GDADMM C[C@H]1CCCN(C(=O)C2=CCOCC2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576168884 949654357 /nfs/dbraw/zinc/65/43/57/949654357.db2.gz WLKWSQKHBQHRDS-GXTWGEPZSA-N -1 1 384.444 1.042 20 0 GDADMM C[C@H]1CCCN(C(=O)C2=CCOCC2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576168884 949654366 /nfs/dbraw/zinc/65/43/66/949654366.db2.gz WLKWSQKHBQHRDS-GXTWGEPZSA-N -1 1 384.444 1.042 20 0 GDADMM CC(C)CC(C)(C)C(=O)NC[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCO1 ZINC001574131451 949662832 /nfs/dbraw/zinc/66/28/32/949662832.db2.gz GFMYUWXKTWHLAI-ZDUSSCGKSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CCC(F)(F)F ZINC001573815937 949665518 /nfs/dbraw/zinc/66/55/18/949665518.db2.gz MEFCKMPTSFZHFX-SNVBAGLBSA-N -1 1 386.382 1.942 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CCC(F)(F)F ZINC001573815937 949665538 /nfs/dbraw/zinc/66/55/38/949665538.db2.gz MEFCKMPTSFZHFX-SNVBAGLBSA-N -1 1 386.382 1.942 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C(C)(C)C(F)F ZINC001573815976 949667437 /nfs/dbraw/zinc/66/74/37/949667437.db2.gz NBZLGUBZTXLMRH-SECBINFHSA-N -1 1 382.419 1.313 20 0 GDADMM C[C@@H]1CCCC[C@H]1CC(=O)N(CCO)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576169230 949670966 /nfs/dbraw/zinc/67/09/66/949670966.db2.gz IZXHQHMRMQFLTK-KGLIPLIRSA-N -1 1 388.476 1.106 20 0 GDADMM C[C@@H]1CCCC[C@H]1CC(=O)N(CCO)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576169230 949670981 /nfs/dbraw/zinc/67/09/81/949670981.db2.gz IZXHQHMRMQFLTK-KGLIPLIRSA-N -1 1 388.476 1.106 20 0 GDADMM C[C@@H]1CCCC[C@@H]1OCC(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576169498 949680587 /nfs/dbraw/zinc/68/05/87/949680587.db2.gz YJOAMOSIUANWCT-OCCSQVGLSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H]1CCCC[C@@H]1OCC(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576169498 949680602 /nfs/dbraw/zinc/68/06/02/949680602.db2.gz YJOAMOSIUANWCT-OCCSQVGLSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001574477960 949686939 /nfs/dbraw/zinc/68/69/39/949686939.db2.gz TWQDGLUDPOXKJC-AEGPPILISA-N -1 1 382.472 1.663 20 0 GDADMM CC(C)CC(C)(C)C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001574132400 949694400 /nfs/dbraw/zinc/69/44/00/949694400.db2.gz YQGVHRUALRBPPT-ZSOGYDGISA-N -1 1 384.488 1.527 20 0 GDADMM CC(C)CC(C)(C)C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001574132400 949694415 /nfs/dbraw/zinc/69/44/15/949694415.db2.gz YQGVHRUALRBPPT-ZSOGYDGISA-N -1 1 384.488 1.527 20 0 GDADMM C[C@@H](CNC(=O)[C@H](C)Cc1ccccc1)CNc1nccnc1-c1nnn[n-]1 ZINC001574959161 949709087 /nfs/dbraw/zinc/70/90/87/949709087.db2.gz ZNAUOOCNRGVIMH-ZIAGYGMSSA-N -1 1 380.456 1.700 20 0 GDADMM C[C@@H](CNC(=O)[C@H](C)Cc1ccccc1)CNc1nccnc1-c1nn[n-]n1 ZINC001574959161 949709102 /nfs/dbraw/zinc/70/91/02/949709102.db2.gz ZNAUOOCNRGVIMH-ZIAGYGMSSA-N -1 1 380.456 1.700 20 0 GDADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccc(Cl)o1 ZINC001573818079 949716964 /nfs/dbraw/zinc/71/69/64/949716964.db2.gz FZRLZKJVRCKYOR-JTQLQIEISA-N -1 1 390.835 1.582 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N1CCO[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574134725 949721645 /nfs/dbraw/zinc/72/16/45/949721645.db2.gz ITJJFTIGVMICST-ZIAGYGMSSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N1CCO[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574134725 949721657 /nfs/dbraw/zinc/72/16/57/949721657.db2.gz ITJJFTIGVMICST-ZIAGYGMSSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1sccc1F ZINC001573818229 949725399 /nfs/dbraw/zinc/72/53/99/949725399.db2.gz IRKGVNACZMRFCZ-JTQLQIEISA-N -1 1 390.448 1.536 20 0 GDADMM C[C@H]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001576170593 949729267 /nfs/dbraw/zinc/72/92/67/949729267.db2.gz MCUYIXBSXXWLPA-XQLPTFJDSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001576170593 949729279 /nfs/dbraw/zinc/72/92/79/949729279.db2.gz MCUYIXBSXXWLPA-XQLPTFJDSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccsc1)CNc1nccnc1-c1nnn[n-]1 ZINC001574960928 949729694 /nfs/dbraw/zinc/72/96/94/949729694.db2.gz YIVLQDAKXYNKLC-WCFLWFBJSA-N -1 1 384.469 1.686 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccsc1)CNc1nccnc1-c1nn[n-]n1 ZINC001574960928 949729715 /nfs/dbraw/zinc/72/97/15/949729715.db2.gz YIVLQDAKXYNKLC-WCFLWFBJSA-N -1 1 384.469 1.686 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C1(C)CCOCC1 ZINC001575558078 949731684 /nfs/dbraw/zinc/73/16/84/949731684.db2.gz OGRJWZYVPPMXFU-ZDUSSCGKSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C1(C)CCOCC1 ZINC001575558078 949731695 /nfs/dbraw/zinc/73/16/95/949731695.db2.gz OGRJWZYVPPMXFU-ZDUSSCGKSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@H]1CCCN(C(=O)CCCF)[C@@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001576170848 949743175 /nfs/dbraw/zinc/74/31/75/949743175.db2.gz NXTAEFAFQSLKMT-QWHCGFSZSA-N -1 1 376.440 1.836 20 0 GDADMM C[C@H]1CCCN(C(=O)CCCF)[C@@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001576170848 949743187 /nfs/dbraw/zinc/74/31/87/949743187.db2.gz NXTAEFAFQSLKMT-QWHCGFSZSA-N -1 1 376.440 1.836 20 0 GDADMM C[C@H]1[C@H](NC(=O)Cc2ccsc2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575881926 949744831 /nfs/dbraw/zinc/74/48/31/949744831.db2.gz DCUVXFKGYYOWHY-WCQYABFASA-N -1 1 384.469 1.434 20 0 GDADMM C[C@H]1[C@H](NC(=O)Cc2ccsc2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575881926 949744847 /nfs/dbraw/zinc/74/48/47/949744847.db2.gz DCUVXFKGYYOWHY-WCQYABFASA-N -1 1 384.469 1.434 20 0 GDADMM CC1(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)nn2)CCCC1 ZINC001575559384 949755900 /nfs/dbraw/zinc/75/59/00/949755900.db2.gz CMXFMJFYYQUGCA-AGUYFDCRSA-N -1 1 382.472 1.853 20 0 GDADMM CC1(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)nn2)CCCC1 ZINC001575559384 949755911 /nfs/dbraw/zinc/75/59/11/949755911.db2.gz CMXFMJFYYQUGCA-AGUYFDCRSA-N -1 1 382.472 1.853 20 0 GDADMM CC1(C(=O)N[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C2CC2)CC(F)(F)C1 ZINC001575559668 949765045 /nfs/dbraw/zinc/76/50/45/949765045.db2.gz XTIYGWBIPBXFNM-JTQLQIEISA-N -1 1 378.387 1.399 20 0 GDADMM CC1(C(=O)N[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C2CC2)CC(F)(F)C1 ZINC001575559668 949765056 /nfs/dbraw/zinc/76/50/56/949765056.db2.gz XTIYGWBIPBXFNM-JTQLQIEISA-N -1 1 378.387 1.399 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)Cc1ccccc1 ZINC001573821922 949783216 /nfs/dbraw/zinc/78/32/16/949783216.db2.gz FKPNCOZECDJOCF-CQSZACIVSA-N -1 1 380.456 1.842 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)Cc1ccccc1 ZINC001573821922 949783235 /nfs/dbraw/zinc/78/32/35/949783235.db2.gz FKPNCOZECDJOCF-CQSZACIVSA-N -1 1 380.456 1.842 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CCn1cccc1 ZINC001573822407 949793141 /nfs/dbraw/zinc/79/31/41/949793141.db2.gz IRISQZKCKUEBPM-CYBMUJFWSA-N -1 1 383.460 1.491 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CCn1cccc1 ZINC001573822407 949793163 /nfs/dbraw/zinc/79/31/63/949793163.db2.gz IRISQZKCKUEBPM-CYBMUJFWSA-N -1 1 383.460 1.491 20 0 GDADMM CC1(C(=O)N[C@H]2CC[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)CC(F)(F)C1 ZINC001575561626 949812999 /nfs/dbraw/zinc/81/29/99/949812999.db2.gz BPAXYZKIGFLBJG-MNOVXSKESA-N -1 1 392.414 1.789 20 0 GDADMM CC1(C(=O)N[C@H]2CC[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)CC(F)(F)C1 ZINC001575561626 949813023 /nfs/dbraw/zinc/81/30/23/949813023.db2.gz BPAXYZKIGFLBJG-MNOVXSKESA-N -1 1 392.414 1.789 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CC[C@H]1CCCO1 ZINC001573823219 949820699 /nfs/dbraw/zinc/82/06/99/949820699.db2.gz RTIHCQLGFLQFCN-CHWSQXEVSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CC[C@H]1CCCO1 ZINC001573823219 949820732 /nfs/dbraw/zinc/82/07/32/949820732.db2.gz RTIHCQLGFLQFCN-CHWSQXEVSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H]1CCCN(C(=O)CCC2(C)CC2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576172863 949821003 /nfs/dbraw/zinc/82/10/03/949821003.db2.gz YSRAVRTZXBOMPN-UONOGXRCSA-N -1 1 384.488 1.698 20 0 GDADMM CC1(C(=O)N[C@H]2CCC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CCOCC1 ZINC001575562335 949822502 /nfs/dbraw/zinc/82/25/02/949822502.db2.gz FODXAKZFCRKETG-OLZOCXBDSA-N -1 1 386.460 1.313 20 0 GDADMM CC1(C(=O)N[C@H]2CCC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CCOCC1 ZINC001575562335 949822518 /nfs/dbraw/zinc/82/25/18/949822518.db2.gz FODXAKZFCRKETG-OLZOCXBDSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H]1CCCC[C@H]1C(=O)NCCOCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001576173005 949833231 /nfs/dbraw/zinc/83/32/31/949833231.db2.gz WGUZQPMPBHNWFN-ZIAGYGMSSA-N -1 1 388.476 1.052 20 0 GDADMM C[C@@H]1CCCC[C@H]1C(=O)NCCOCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001576173005 949833254 /nfs/dbraw/zinc/83/32/54/949833254.db2.gz WGUZQPMPBHNWFN-ZIAGYGMSSA-N -1 1 388.476 1.052 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cncc(F)c1 ZINC001573823486 949835956 /nfs/dbraw/zinc/83/59/56/949835956.db2.gz XRJRRCKRATUFKI-GFCCVEGCSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cncc(F)c1 ZINC001573823486 949835977 /nfs/dbraw/zinc/83/59/77/949835977.db2.gz XRJRRCKRATUFKI-GFCCVEGCSA-N -1 1 385.407 1.447 20 0 GDADMM C[C@H](CNC(=O)[C@H]1C[C@@H]1C(F)F)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574966271 949837745 /nfs/dbraw/zinc/83/77/45/949837745.db2.gz VVJAZADKKQDRPU-SRQIZXRXSA-N -1 1 377.808 1.794 20 0 GDADMM C[C@H](CNC(=O)[C@H]1C[C@@H]1C(F)F)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574966271 949837768 /nfs/dbraw/zinc/83/77/68/949837768.db2.gz VVJAZADKKQDRPU-SRQIZXRXSA-N -1 1 377.808 1.794 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001574484155 949863085 /nfs/dbraw/zinc/86/30/85/949863085.db2.gz CZJLPQHTGGJWQD-UHOFOFEASA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001574484155 949863111 /nfs/dbraw/zinc/86/31/11/949863111.db2.gz CZJLPQHTGGJWQD-UHOFOFEASA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccco2)[C@@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576178089 949875992 /nfs/dbraw/zinc/87/59/92/949875992.db2.gz AQLMUERBZFWYGN-TZMCWYRMSA-N -1 1 382.428 1.993 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccco2)[C@@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576178089 949876013 /nfs/dbraw/zinc/87/60/13/949876013.db2.gz AQLMUERBZFWYGN-TZMCWYRMSA-N -1 1 382.428 1.993 20 0 GDADMM C[C@]1(C(=O)NC2CCC(Nc3ccnc(-c4nn[n-]n4)n3)CC2)CC=CCC1 ZINC001575565253 949876609 /nfs/dbraw/zinc/87/66/09/949876609.db2.gz VBAADRMGPMIWSM-MHVYXZCWSA-N -1 1 382.472 1.664 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cscn2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576178236 949882628 /nfs/dbraw/zinc/88/26/28/949882628.db2.gz GUWRHZVSPLNDBD-GXFFZTMASA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cscn2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576178236 949882640 /nfs/dbraw/zinc/88/26/40/949882640.db2.gz GUWRHZVSPLNDBD-GXFFZTMASA-N -1 1 385.457 1.466 20 0 GDADMM CC1(C(=O)N[C@H]2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CCOCC1 ZINC001575565979 949888654 /nfs/dbraw/zinc/88/86/54/949888654.db2.gz ZGGPJAMVWGWIMG-STQMWFEESA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2cc(Cl)c[nH]2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575886449 949888778 /nfs/dbraw/zinc/88/87/78/949888778.db2.gz MJLOYFAJWRXPHG-KOLCDFICSA-N -1 1 387.835 1.426 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2cc(Cl)c[nH]2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575886449 949888801 /nfs/dbraw/zinc/88/88/01/949888801.db2.gz MJLOYFAJWRXPHG-KOLCDFICSA-N -1 1 387.835 1.426 20 0 GDADMM CC1(C(=O)N[C@H]2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CCOCC1 ZINC001575565979 949888677 /nfs/dbraw/zinc/88/86/77/949888677.db2.gz ZGGPJAMVWGWIMG-STQMWFEESA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1)c1ccco1 ZINC001574484685 949893044 /nfs/dbraw/zinc/89/30/44/949893044.db2.gz LZJGXYRXCVTHJJ-QWHCGFSZSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1)c1ccco1 ZINC001574484685 949893058 /nfs/dbraw/zinc/89/30/58/949893058.db2.gz LZJGXYRXCVTHJJ-QWHCGFSZSA-N -1 1 382.428 1.846 20 0 GDADMM CC1(C(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CCC(F)(F)CC1 ZINC001575568521 949894789 /nfs/dbraw/zinc/89/47/89/949894789.db2.gz AHYNBHLBJLPPRX-LLVKDONJSA-N -1 1 392.414 1.567 20 0 GDADMM CC1(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CCC(F)(F)CC1 ZINC001575568521 949894812 /nfs/dbraw/zinc/89/48/12/949894812.db2.gz AHYNBHLBJLPPRX-LLVKDONJSA-N -1 1 392.414 1.567 20 0 GDADMM C[C@H]1CC[C@H](C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)[C@H]2C)CC1 ZINC001575887420 949904420 /nfs/dbraw/zinc/90/44/20/949904420.db2.gz ZDLUZTFRDLKJND-ZQDZILKHSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H]1CC[C@H](C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)[C@H]2C)CC1 ZINC001575887420 949904439 /nfs/dbraw/zinc/90/44/39/949904439.db2.gz ZDLUZTFRDLKJND-ZQDZILKHSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(F)CCCC2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576179613 949924010 /nfs/dbraw/zinc/92/40/10/949924010.db2.gz BEOHPDRNRZWSDJ-OLZOCXBDSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(F)CCCC2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576179613 949924030 /nfs/dbraw/zinc/92/40/30/949924030.db2.gz BEOHPDRNRZWSDJ-OLZOCXBDSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001574485656 949925628 /nfs/dbraw/zinc/92/56/28/949925628.db2.gz YPHIUIHBECGKBN-VHSXEESVSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001574485656 949925643 /nfs/dbraw/zinc/92/56/43/949925643.db2.gz YPHIUIHBECGKBN-VHSXEESVSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](CN(C)C(=O)COc1ccccc1F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574726200 949927558 /nfs/dbraw/zinc/92/75/58/949927558.db2.gz GUJGEZMOHQFGBC-LLVKDONJSA-N -1 1 386.391 1.134 20 0 GDADMM C[C@H](CN(C)C(=O)COc1ccccc1F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574726200 949927576 /nfs/dbraw/zinc/92/75/76/949927576.db2.gz GUJGEZMOHQFGBC-LLVKDONJSA-N -1 1 386.391 1.134 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574146289 949940145 /nfs/dbraw/zinc/94/01/45/949940145.db2.gz XKTFUDZXODHJSF-UONOGXRCSA-N -1 1 388.476 1.193 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574146289 949940170 /nfs/dbraw/zinc/94/01/70/949940170.db2.gz XKTFUDZXODHJSF-UONOGXRCSA-N -1 1 388.476 1.193 20 0 GDADMM CC(C)(C)CC(=O)N1CCC[C@@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001573830399 949973980 /nfs/dbraw/zinc/97/39/80/949973980.db2.gz MAPKLTVSJLXPOM-IBGZPJMESA-N -1 1 384.488 1.912 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccncc2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576180959 949981107 /nfs/dbraw/zinc/98/11/07/949981107.db2.gz KKRDUPSEPJLCNF-DOMZBBRYSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccncc2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576180959 949981127 /nfs/dbraw/zinc/98/11/27/949981127.db2.gz KKRDUPSEPJLCNF-DOMZBBRYSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2ccccc2O)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575891093 949986632 /nfs/dbraw/zinc/98/66/32/949986632.db2.gz DWPTXUUPONKQMP-WCQYABFASA-N -1 1 380.412 1.150 20 0 GDADMM C[C@@H](NC(=O)Cc1cc[nH]n1)[C@@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001575289598 949998727 /nfs/dbraw/zinc/99/87/27/949998727.db2.gz ADXWACPTYUXTSU-RNFRBKRXSA-N -1 1 381.853 1.248 20 0 GDADMM C[C@@H](NC(=O)Cc1cc[nH]n1)[C@@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575289598 949998744 /nfs/dbraw/zinc/99/87/44/949998744.db2.gz ADXWACPTYUXTSU-RNFRBKRXSA-N -1 1 381.853 1.248 20 0 GDADMM C[C@H]1CCN(C(=O)C2(F)CCCC2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576181484 950005252 /nfs/dbraw/zinc/00/52/52/950005252.db2.gz IMDNRKWSYAOKJP-QWHCGFSZSA-N -1 1 388.451 1.257 20 0 GDADMM C[C@H](CC(=O)NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574491580 950042269 /nfs/dbraw/zinc/04/22/69/950042269.db2.gz DSKZLWDWDOMLEO-VQCLRJIVSA-N -1 1 392.467 1.579 20 0 GDADMM C[C@H](CC(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001574492223 950074242 /nfs/dbraw/zinc/07/42/42/950074242.db2.gz LEOJFMGCYDPQME-IYXRBSQSSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](CC(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001574492223 950074266 /nfs/dbraw/zinc/07/42/66/950074266.db2.gz LEOJFMGCYDPQME-IYXRBSQSSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2ccoc2Cl)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575894587 950106196 /nfs/dbraw/zinc/10/61/96/950106196.db2.gz FJRGXTIMFARJTF-GXSJLCMTSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@H]1CCN(C(=O)CCC(F)F)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576183853 950106808 /nfs/dbraw/zinc/10/68/08/950106808.db2.gz ROUNLNJHHJINDP-WDEREUQCSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H]1CCN(C(=O)CCC(F)F)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576183853 950106819 /nfs/dbraw/zinc/10/68/19/950106819.db2.gz ROUNLNJHHJINDP-WDEREUQCSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccoc2)[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576184026 950113027 /nfs/dbraw/zinc/11/30/27/950113027.db2.gz VEPFGTOFSZXTCZ-WFASDCNBSA-N -1 1 382.428 1.993 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccoc2)[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576184026 950113048 /nfs/dbraw/zinc/11/30/48/950113048.db2.gz VEPFGTOFSZXTCZ-WFASDCNBSA-N -1 1 382.428 1.993 20 0 GDADMM C[C@@H]1CCN(C(=O)CCC2CCC2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576184946 950147751 /nfs/dbraw/zinc/14/77/51/950147751.db2.gz YVYBOWVYZWFCPM-UKRRQHHQSA-N -1 1 384.488 1.555 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](Nc1nccnc1-c1nnn[n-]1)C1CC1)c1ccco1 ZINC001574494247 950156597 /nfs/dbraw/zinc/15/65/97/950156597.db2.gz JKEYTPOYMWYZIG-DGCLKSJQSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](Nc1nccnc1-c1nn[n-]n1)C1CC1)c1ccco1 ZINC001574494247 950156607 /nfs/dbraw/zinc/15/66/07/950156607.db2.gz JKEYTPOYMWYZIG-DGCLKSJQSA-N -1 1 382.428 1.750 20 0 GDADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C12CCC(CC1)C2 ZINC001574154276 950169266 /nfs/dbraw/zinc/16/92/66/950169266.db2.gz CLTQINWNLHERSO-SHYRYGCCSA-N -1 1 384.488 1.602 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cscn2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576190878 950177121 /nfs/dbraw/zinc/17/71/21/950177121.db2.gz CIQDRLVTRFSKCQ-MNOVXSKESA-N -1 1 385.457 1.324 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cscn2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576190878 950177133 /nfs/dbraw/zinc/17/71/33/950177133.db2.gz CIQDRLVTRFSKCQ-MNOVXSKESA-N -1 1 385.457 1.324 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](Nc1nccnc1-c1nnn[n-]1)C1CC1)C(F)(F)F ZINC001574494926 950193988 /nfs/dbraw/zinc/19/39/88/950193988.db2.gz QJXXINQTUAYSCA-WPRPVWTQSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](Nc1nccnc1-c1nn[n-]n1)C1CC1)C(F)(F)F ZINC001574494926 950194004 /nfs/dbraw/zinc/19/40/04/950194004.db2.gz QJXXINQTUAYSCA-WPRPVWTQSA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cccc(=O)[nH]1 ZINC001574155532 950197120 /nfs/dbraw/zinc/19/71/20/950197120.db2.gz NALVDVLXNASEJZ-LLVKDONJSA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cccc(=O)[nH]1 ZINC001574155532 950197132 /nfs/dbraw/zinc/19/71/32/950197132.db2.gz NALVDVLXNASEJZ-LLVKDONJSA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1CC2(CCC2)C1 ZINC001574156166 950226246 /nfs/dbraw/zinc/22/62/46/950226246.db2.gz XYHSERBKROCVLW-AWEZNQCLSA-N -1 1 384.488 1.602 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccsc2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576192118 950228714 /nfs/dbraw/zinc/22/87/14/950228714.db2.gz JXLPEDDQBHCIMC-WCQYABFASA-N -1 1 384.469 1.929 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccsc2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576192118 950228731 /nfs/dbraw/zinc/22/87/31/950228731.db2.gz JXLPEDDQBHCIMC-WCQYABFASA-N -1 1 384.469 1.929 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1)C1CCCCC1 ZINC001574497683 950237214 /nfs/dbraw/zinc/23/72/14/950237214.db2.gz AZRFXHKNLWGHJI-GXTWGEPZSA-N -1 1 388.476 1.152 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1)C1CCCCC1 ZINC001574497683 950237223 /nfs/dbraw/zinc/23/72/23/950237223.db2.gz AZRFXHKNLWGHJI-GXTWGEPZSA-N -1 1 388.476 1.152 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCOCC1)C1CC1 ZINC001574497761 950243365 /nfs/dbraw/zinc/24/33/65/950243365.db2.gz CIAUBBZEWSVDJY-GFCCVEGCSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCOCC1)C1CC1 ZINC001574497761 950243385 /nfs/dbraw/zinc/24/33/85/950243385.db2.gz CIAUBBZEWSVDJY-GFCCVEGCSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCC1)n1cccc1 ZINC001574497980 950252158 /nfs/dbraw/zinc/25/21/58/950252158.db2.gz HQHWYSGAKNDGJT-ZDUSSCGKSA-N -1 1 381.444 1.560 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCC1)n1cccc1 ZINC001574497980 950252178 /nfs/dbraw/zinc/25/21/78/950252178.db2.gz HQHWYSGAKNDGJT-ZDUSSCGKSA-N -1 1 381.444 1.560 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@]1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573846747 950256364 /nfs/dbraw/zinc/25/63/64/950256364.db2.gz VDNNNQKGHUOFOJ-QUJCMNEKSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@]1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573846747 950256376 /nfs/dbraw/zinc/25/63/76/950256376.db2.gz VDNNNQKGHUOFOJ-QUJCMNEKSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C[C@@H]1CCCCO1 ZINC001574157881 950258796 /nfs/dbraw/zinc/25/87/96/950258796.db2.gz KMZRFCJKISXETJ-KBPBESRZSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@@H]1CCCCO1 ZINC001574157881 950258822 /nfs/dbraw/zinc/25/88/22/950258822.db2.gz KMZRFCJKISXETJ-KBPBESRZSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)COC(C)(C)C ZINC001574158237 950270996 /nfs/dbraw/zinc/27/09/96/950270996.db2.gz PMMKWIVMYFGWAW-GFCCVEGCSA-N -1 1 376.465 1.415 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)COC(C)(C)C ZINC001574158237 950271017 /nfs/dbraw/zinc/27/10/17/950271017.db2.gz PMMKWIVMYFGWAW-GFCCVEGCSA-N -1 1 376.465 1.415 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CC1CCOCC1 ZINC001574158489 950280280 /nfs/dbraw/zinc/28/02/80/950280280.db2.gz BJUOFZILYFKTLT-AWEZNQCLSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CC1CCOCC1 ZINC001574158489 950280298 /nfs/dbraw/zinc/28/02/98/950280298.db2.gz BJUOFZILYFKTLT-AWEZNQCLSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C1C=CC=CC=C1 ZINC001574158786 950288353 /nfs/dbraw/zinc/28/83/53/950288353.db2.gz SNVZLBUEKDZJGM-HNNXBMFYSA-N -1 1 380.456 1.898 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C1C=CC=CC=C1 ZINC001574158786 950288371 /nfs/dbraw/zinc/28/83/71/950288371.db2.gz SNVZLBUEKDZJGM-HNNXBMFYSA-N -1 1 380.456 1.898 20 0 GDADMM CC(C)(C)OC(=O)N1CC2CC1(C(=O)NCc1ccnc(-c3nnn[n-]3)c1)C2 ZINC001573852063 950298284 /nfs/dbraw/zinc/29/82/84/950298284.db2.gz BZLWBBLACMLVHH-UHFFFAOYSA-N -1 1 385.428 1.277 20 0 GDADMM CC(C)(C)OC(=O)N1CC2CC1(C(=O)NCc1ccnc(-c3nn[n-]n3)c1)C2 ZINC001573852063 950298302 /nfs/dbraw/zinc/29/83/02/950298302.db2.gz BZLWBBLACMLVHH-UHFFFAOYSA-N -1 1 385.428 1.277 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccccc1O ZINC001574159269 950302601 /nfs/dbraw/zinc/30/26/01/950302601.db2.gz VKBPOOCAIJFQAE-LBPRGKRZSA-N -1 1 382.428 1.619 20 0 GDADMM C[C@@H](CC(=O)NCC1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccco1 ZINC001574500303 950313064 /nfs/dbraw/zinc/31/30/64/950313064.db2.gz ZLRZZGKQEUSVIW-HIFPTAJRSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](CC(=O)NCC1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccco1 ZINC001574500303 950313085 /nfs/dbraw/zinc/31/30/85/950313085.db2.gz ZLRZZGKQEUSVIW-HIFPTAJRSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H]1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C[C@@H]1C(=O)OC(C)(C)C ZINC001576194318 950336598 /nfs/dbraw/zinc/33/65/98/950336598.db2.gz YTJZEMZDABMTFW-QWRGUYRKSA-N -1 1 390.448 1.432 20 0 GDADMM C[C@H]1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C[C@@H]1C(=O)OC(C)(C)C ZINC001576194318 950336622 /nfs/dbraw/zinc/33/66/22/950336622.db2.gz YTJZEMZDABMTFW-QWRGUYRKSA-N -1 1 390.448 1.432 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC001574501923 950348802 /nfs/dbraw/zinc/34/88/02/950348802.db2.gz HMHLDQMXYYUBCC-QWHCGFSZSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC001574501923 950348819 /nfs/dbraw/zinc/34/88/19/950348819.db2.gz HMHLDQMXYYUBCC-QWHCGFSZSA-N -1 1 382.428 1.529 20 0 GDADMM CC(C)(C)N1C[C@@H](CNC(=O)NCc2ccc(-c3nn[n-]n3)s2)CC1=O ZINC001573854942 950352120 /nfs/dbraw/zinc/35/21/20/950352120.db2.gz IKNLJMVSTJBLOO-SNVBAGLBSA-N -1 1 377.474 1.374 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cncc(F)c1 ZINC001574161352 950355718 /nfs/dbraw/zinc/35/57/18/950355718.db2.gz UNMRYEFWZRGWAH-CYBMUJFWSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cncc(F)c1 ZINC001574161352 950355732 /nfs/dbraw/zinc/35/57/32/950355732.db2.gz UNMRYEFWZRGWAH-CYBMUJFWSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573855138 950359024 /nfs/dbraw/zinc/35/90/24/950359024.db2.gz JOPOZEPGZXBYCO-MELADBBJSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573855138 950359043 /nfs/dbraw/zinc/35/90/43/950359043.db2.gz JOPOZEPGZXBYCO-MELADBBJSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)COC1CCCC1 ZINC001574162423 950379962 /nfs/dbraw/zinc/37/99/62/950379962.db2.gz ABKVQZCIIVAWJW-ZDUSSCGKSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)COC1CCCC1 ZINC001574162423 950379975 /nfs/dbraw/zinc/37/99/75/950379975.db2.gz ABKVQZCIIVAWJW-ZDUSSCGKSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)OC(=O)N1CCO[C@](C)(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001573856506 950382133 /nfs/dbraw/zinc/38/21/33/950382133.db2.gz AXIRDHRHMNRKGZ-MRXNPFEDSA-N -1 1 376.421 1.095 20 0 GDADMM CC(C)(C)OC(=O)N1CCO[C@](C)(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001573856506 950382150 /nfs/dbraw/zinc/38/21/50/950382150.db2.gz AXIRDHRHMNRKGZ-MRXNPFEDSA-N -1 1 376.421 1.095 20 0 GDADMM CCN([C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001589719041 950392908 /nfs/dbraw/zinc/39/29/08/950392908.db2.gz NLGYYCILXPLLSY-SFHVURJKSA-N -1 1 395.525 1.624 20 0 GDADMM CC1(C(=O)NC[C@@H]2Cc3ccccc3CN2c2nccnc2-c2nnn[n-]2)CC1 ZINC001575597070 950400500 /nfs/dbraw/zinc/40/05/00/950400500.db2.gz XIZMGIRLONQXNH-HNNXBMFYSA-N -1 1 390.451 1.504 20 0 GDADMM CC1(C(=O)NC[C@@H]2Cc3ccccc3CN2c2nccnc2-c2nn[n-]n2)CC1 ZINC001575597070 950400511 /nfs/dbraw/zinc/40/05/11/950400511.db2.gz XIZMGIRLONQXNH-HNNXBMFYSA-N -1 1 390.451 1.504 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)n1cccc1 ZINC001574503077 950400754 /nfs/dbraw/zinc/40/07/54/950400754.db2.gz SZFDGHDIMGVLDF-KBPBESRZSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)n1cccc1 ZINC001574503077 950400765 /nfs/dbraw/zinc/40/07/65/950400765.db2.gz SZFDGHDIMGVLDF-KBPBESRZSA-N -1 1 381.444 1.195 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1ncccc1O ZINC001574162853 950405582 /nfs/dbraw/zinc/40/55/82/950405582.db2.gz KGGYTOQPFYNEEH-NSHDSACASA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[nH]n1)NC(=O)c1ncccc1[O-] ZINC001574162853 950405597 /nfs/dbraw/zinc/40/55/97/950405597.db2.gz KGGYTOQPFYNEEH-NSHDSACASA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573857702 950407304 /nfs/dbraw/zinc/40/73/04/950407304.db2.gz XISWJGWGCCKOAO-RNFRBKRXSA-N -1 1 387.853 1.369 20 0 GDADMM CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573857702 950407312 /nfs/dbraw/zinc/40/73/12/950407312.db2.gz XISWJGWGCCKOAO-RNFRBKRXSA-N -1 1 387.853 1.369 20 0 GDADMM CC1(C(=O)N[C@@H]2CCCC[C@H]2Nc2ccc(-c3nnn[n-]3)nn2)CC(F)(F)C1 ZINC001575599619 950431521 /nfs/dbraw/zinc/43/15/21/950431521.db2.gz NNWNLPPGNOLVKA-GHMZBOCLSA-N -1 1 392.414 1.931 20 0 GDADMM CC1(C(=O)N[C@@H]2CCCC[C@H]2Nc2ccc(-c3nn[n-]n3)nn2)CC(F)(F)C1 ZINC001575599619 950431546 /nfs/dbraw/zinc/43/15/46/950431546.db2.gz NNWNLPPGNOLVKA-GHMZBOCLSA-N -1 1 392.414 1.931 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccc(=O)[nH]c1 ZINC001574163576 950433917 /nfs/dbraw/zinc/43/39/17/950433917.db2.gz WHAQVXXMTAFEPU-LBPRGKRZSA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccc(=O)[nH]c1 ZINC001574163576 950433935 /nfs/dbraw/zinc/43/39/35/950433935.db2.gz WHAQVXXMTAFEPU-LBPRGKRZSA-N -1 1 383.416 1.014 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc(Cl)cs1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574750751 950443128 /nfs/dbraw/zinc/44/31/28/950443128.db2.gz HDYKUHZVGBGJNG-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc(Cl)cs1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574750751 950443157 /nfs/dbraw/zinc/44/31/57/950443157.db2.gz HDYKUHZVGBGJNG-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM CC(C)CC1(C(=O)NC[C@H]2CCCN2c2nccnc2-c2nnn[n-]2)CCC1 ZINC001574165829 950455497 /nfs/dbraw/zinc/45/54/97/950455497.db2.gz JMIOWDXPMNHOIA-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CC1(C(=O)NC[C@H]2CCCN2c2nccnc2-c2nn[n-]n2)CCC1 ZINC001574165829 950455515 /nfs/dbraw/zinc/45/55/15/950455515.db2.gz JMIOWDXPMNHOIA-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CC(=O)NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1)c1ccco1 ZINC001574507673 950458571 /nfs/dbraw/zinc/45/85/71/950458571.db2.gz HDUWYNAFBBXUIB-GFCCVEGCSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](CC(=O)NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1)c1ccco1 ZINC001574507673 950458586 /nfs/dbraw/zinc/45/85/86/950458586.db2.gz HDUWYNAFBBXUIB-GFCCVEGCSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@]1(C(=O)N[C@H]2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)CC2)CCCOC1 ZINC001575605756 950483055 /nfs/dbraw/zinc/48/30/55/950483055.db2.gz SGEAEMXUECAQDD-LXIYXOSZSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@]1(C(=O)N[C@H]2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)CC2)CCCOC1 ZINC001575605756 950483078 /nfs/dbraw/zinc/48/30/78/950483078.db2.gz SGEAEMXUECAQDD-LXIYXOSZSA-N -1 1 386.460 1.313 20 0 GDADMM CC(C)(C)OCC(=O)N1CCCCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573866452 950502363 /nfs/dbraw/zinc/50/23/63/950502363.db2.gz CLJXYSNMCXUNJL-ZDUSSCGKSA-N -1 1 388.476 1.077 20 0 GDADMM CC(C)(C)OCC(=O)N1CCC[C@@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573866729 950508386 /nfs/dbraw/zinc/50/83/86/950508386.db2.gz KIIUUDQKDIDBER-ZDUSSCGKSA-N -1 1 388.476 1.512 20 0 GDADMM CC(C)(C)OCC(=O)N1CCC[C@@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573866729 950508402 /nfs/dbraw/zinc/50/84/02/950508402.db2.gz KIIUUDQKDIDBER-ZDUSSCGKSA-N -1 1 388.476 1.512 20 0 GDADMM CC(C)(C)OCC(=O)N1CCC(CCNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573866931 950520687 /nfs/dbraw/zinc/52/06/87/950520687.db2.gz NXKRSNLOJYCBMQ-UHFFFAOYSA-N -1 1 388.476 1.512 20 0 GDADMM CC(C)(C)OCC(=O)N1CCC(CCNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573866931 950520704 /nfs/dbraw/zinc/52/07/04/950520704.db2.gz NXKRSNLOJYCBMQ-UHFFFAOYSA-N -1 1 388.476 1.512 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccco1 ZINC001574509801 950531496 /nfs/dbraw/zinc/53/14/96/950531496.db2.gz XZFCNSBIQINNGY-RWMBFGLXSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574509801 950531508 /nfs/dbraw/zinc/53/15/08/950531508.db2.gz XZFCNSBIQINNGY-RWMBFGLXSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)ccc1F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574999013 950563452 /nfs/dbraw/zinc/56/34/52/950563452.db2.gz CVCDPNJGLJHDDF-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)ccc1F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574999013 950563469 /nfs/dbraw/zinc/56/34/69/950563469.db2.gz CVCDPNJGLJHDDF-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM CC(C)c1ccc(C(=O)N(C)C[C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)nc1 ZINC001574754131 950564502 /nfs/dbraw/zinc/56/45/02/950564502.db2.gz YEPJCZPXHSUWSI-LBPRGKRZSA-N -1 1 381.444 1.170 20 0 GDADMM CC(C)(C)OCC(=O)NC1(CNc2nccnc2-c2nnn[n-]2)CCCCC1 ZINC001573869319 950565503 /nfs/dbraw/zinc/56/55/03/950565503.db2.gz OSJUWCLWKJNFCH-UHFFFAOYSA-N -1 1 388.476 1.703 20 0 GDADMM CC(C)(C)OCC(=O)NC1(CNc2nccnc2-c2nn[n-]n2)CCCCC1 ZINC001573869319 950565518 /nfs/dbraw/zinc/56/55/18/950565518.db2.gz OSJUWCLWKJNFCH-UHFFFAOYSA-N -1 1 388.476 1.703 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)C1CCC(F)(F)CC1 ZINC001575918163 950585708 /nfs/dbraw/zinc/58/57/08/950585708.db2.gz AUHXRPVEKIMXIV-PWSUYJOCSA-N -1 1 392.414 1.305 20 0 GDADMM CC(C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574172931 950588649 /nfs/dbraw/zinc/58/86/49/950588649.db2.gz CQPRRWIYWFVPOW-GHMZBOCLSA-N -1 1 398.393 1.894 20 0 GDADMM CC(C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574172931 950588668 /nfs/dbraw/zinc/58/86/68/950588668.db2.gz CQPRRWIYWFVPOW-GHMZBOCLSA-N -1 1 398.393 1.894 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccnc(C2CC2)c1 ZINC001575918445 950590552 /nfs/dbraw/zinc/59/05/52/950590552.db2.gz BWOGPFCKGPGTRT-RISCZKNCSA-N -1 1 391.439 1.644 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccnc(C2CC2)c1 ZINC001575918445 950590564 /nfs/dbraw/zinc/59/05/64/950590564.db2.gz BWOGPFCKGPGTRT-RISCZKNCSA-N -1 1 391.439 1.644 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1coc(C2CC2)n1 ZINC001575919132 950609110 /nfs/dbraw/zinc/60/91/10/950609110.db2.gz GLLGQOLQXKMMRR-KOLCDFICSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1coc(C2CC2)n1 ZINC001575919132 950609128 /nfs/dbraw/zinc/60/91/28/950609128.db2.gz GLLGQOLQXKMMRR-KOLCDFICSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)cc(Cl)c1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575000840 950616173 /nfs/dbraw/zinc/61/61/73/950616173.db2.gz GSOUGLSNZUWKHI-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)cc(Cl)c1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575000840 950616185 /nfs/dbraw/zinc/61/61/85/950616185.db2.gz GSOUGLSNZUWKHI-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)cc(Cl)c1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575000839 950616719 /nfs/dbraw/zinc/61/67/19/950616719.db2.gz GSOUGLSNZUWKHI-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)cc(Cl)c1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575000839 950616732 /nfs/dbraw/zinc/61/67/32/950616732.db2.gz GSOUGLSNZUWKHI-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CN(C)C(=O)c1cccnc1C1CC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574758583 950619110 /nfs/dbraw/zinc/61/91/10/950619110.db2.gz DVYIFCKVQPEGOK-LLVKDONJSA-N -1 1 379.428 1.502 20 0 GDADMM C[C@H](CN(C)C(=O)c1cccnc1C1CC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574758583 950619129 /nfs/dbraw/zinc/61/91/29/950619129.db2.gz DVYIFCKVQPEGOK-LLVKDONJSA-N -1 1 379.428 1.502 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575622298 950634811 /nfs/dbraw/zinc/63/48/11/950634811.db2.gz BXDKGXBALXXMJA-HAQNSBGRSA-N -1 1 384.488 1.458 20 0 GDADMM C[C@@H]1CCN(S(=O)(=O)c2c3ccccc3sc2-c2nn[n-]n2)C[C@@H]1O ZINC001576213789 950645790 /nfs/dbraw/zinc/64/57/90/950645790.db2.gz IFFWDAXPUJXMFS-KOLCDFICSA-N -1 1 379.467 1.473 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)cs1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575001934 950646700 /nfs/dbraw/zinc/64/67/00/950646700.db2.gz PQZQBOVEGZFHRM-MRVPVSSYSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)cs1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575001934 950646713 /nfs/dbraw/zinc/64/67/13/950646713.db2.gz PQZQBOVEGZFHRM-MRVPVSSYSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@H](CNC(=O)c1cc(C(F)F)ccc1F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575002037 950651817 /nfs/dbraw/zinc/65/18/17/950651817.db2.gz YRLNQFCPDVBTMF-MRVPVSSYSA-N -1 1 392.345 1.964 20 0 GDADMM C[C@H](CNC(=O)c1cc(C(F)F)ccc1F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575002037 950651833 /nfs/dbraw/zinc/65/18/33/950651833.db2.gz YRLNQFCPDVBTMF-MRVPVSSYSA-N -1 1 392.345 1.964 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573873643 950654297 /nfs/dbraw/zinc/65/42/97/950654297.db2.gz WFHUNFJKENQAJV-JOCQHMNTSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573873643 950654309 /nfs/dbraw/zinc/65/43/09/950654309.db2.gz WFHUNFJKENQAJV-JOCQHMNTSA-N -1 1 388.476 1.559 20 0 GDADMM CC1(C)CC(C(=O)N2CCCO[C@H](CNc3nccnc3-c3nnn[n-]3)C2)C1 ZINC001575624473 950666754 /nfs/dbraw/zinc/66/67/54/950666754.db2.gz JLDYJDRDJSMSOR-CYBMUJFWSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CC(C(=O)N2CCCO[C@H](CNc3nccnc3-c3nn[n-]n3)C2)C1 ZINC001575624473 950666767 /nfs/dbraw/zinc/66/67/67/950666767.db2.gz JLDYJDRDJSMSOR-CYBMUJFWSA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001573876310 950667119 /nfs/dbraw/zinc/66/71/19/950667119.db2.gz KJEGHZQDEJXRTA-LXTVHRRPSA-N -1 1 396.499 1.909 20 0 GDADMM CC1(C)CC(C(=O)N2CC[C@@]3(CCN(c4cnc(-c5nnn[n-]5)cn4)C3)C2)C1 ZINC001575624667 950670825 /nfs/dbraw/zinc/67/08/25/950670825.db2.gz LVAGWENSFQCRQA-LJQANCHMSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)CC(C(=O)N2CC[C@@]3(CCN(c4cnc(-c5nn[n-]n5)cn4)C3)C2)C1 ZINC001575624667 950670832 /nfs/dbraw/zinc/67/08/32/950670832.db2.gz LVAGWENSFQCRQA-LJQANCHMSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1ccccn1 ZINC001575924981 950677071 /nfs/dbraw/zinc/67/70/71/950677071.db2.gz GFMBETIOCYSZIS-OCCSQVGLSA-N -1 1 379.428 1.086 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1ccccn1 ZINC001575924981 950677080 /nfs/dbraw/zinc/67/70/80/950677080.db2.gz GFMBETIOCYSZIS-OCCSQVGLSA-N -1 1 379.428 1.086 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cscc1Cl ZINC001575925877 950696142 /nfs/dbraw/zinc/69/61/42/950696142.db2.gz VTUWICCFEQLRDQ-KCJUWKMLSA-N -1 1 390.860 1.509 20 0 GDADMM CC1(C)CC(C(=O)N2CC[C@H]3[C@H](CCN3c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001575625884 950700688 /nfs/dbraw/zinc/70/06/88/950700688.db2.gz ZTOFXZBFZIXJCB-DOMZBBRYSA-N -1 1 382.472 1.520 20 0 GDADMM CC1(C)CC(C(=O)N2CC[C@H]3[C@H](CCN3c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001575625884 950700704 /nfs/dbraw/zinc/70/07/04/950700704.db2.gz ZTOFXZBFZIXJCB-DOMZBBRYSA-N -1 1 382.472 1.520 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccc2c(c1)CCO2 ZINC001575926198 950701087 /nfs/dbraw/zinc/70/10/87/950701087.db2.gz WCYMMXQUPNUPEK-BXUZGUMPSA-N -1 1 392.423 1.307 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccc2c(c1)CCO2 ZINC001575926198 950701105 /nfs/dbraw/zinc/70/11/05/950701105.db2.gz WCYMMXQUPNUPEK-BXUZGUMPSA-N -1 1 392.423 1.307 20 0 GDADMM CC1(C)CC(C(=O)N2CC[C@H]3[C@@H](CCN3c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001575625887 950701283 /nfs/dbraw/zinc/70/12/83/950701283.db2.gz ZTOFXZBFZIXJCB-WFASDCNBSA-N -1 1 382.472 1.520 20 0 GDADMM CC1(C)CC(C(=O)N2CC[C@H]3[C@@H](CCN3c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001575625887 950701296 /nfs/dbraw/zinc/70/12/96/950701296.db2.gz ZTOFXZBFZIXJCB-WFASDCNBSA-N -1 1 382.472 1.520 20 0 GDADMM CC1(C)C2CCC1(C(=O)NCC=CCNc1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001575626408 950709573 /nfs/dbraw/zinc/70/95/73/950709573.db2.gz ZOJPDKLTSXOMOK-ARJAWSKDSA-N -1 1 382.472 1.957 20 0 GDADMM CC1(C)C2CCC1(C(=O)NCC=CCNc1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001575626408 950709584 /nfs/dbraw/zinc/70/95/84/950709584.db2.gz ZOJPDKLTSXOMOK-ARJAWSKDSA-N -1 1 382.472 1.957 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)C1CCC(F)(F)CC1 ZINC001575926621 950718090 /nfs/dbraw/zinc/71/80/90/950718090.db2.gz KTSJJDYIHIUWQE-ZYHUDNBSSA-N -1 1 392.414 1.884 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)C1CCC(F)(F)CC1 ZINC001575926621 950718098 /nfs/dbraw/zinc/71/80/98/950718098.db2.gz KTSJJDYIHIUWQE-ZYHUDNBSSA-N -1 1 392.414 1.884 20 0 GDADMM CC(C)(C)c1cc(C(=O)NCC2(Nc3nccnc3-c3nnn[n-]3)CC2)[nH]n1 ZINC001573879575 950726519 /nfs/dbraw/zinc/72/65/19/950726519.db2.gz GTYXJRXSGCBAKG-UHFFFAOYSA-N -1 1 382.432 1.052 20 0 GDADMM CC(C)(C)c1cc(C(=O)NCC2(Nc3nccnc3-c3nn[n-]n3)CC2)[nH]n1 ZINC001573879575 950726536 /nfs/dbraw/zinc/72/65/36/950726536.db2.gz GTYXJRXSGCBAKG-UHFFFAOYSA-N -1 1 382.432 1.052 20 0 GDADMM CC1(C)CC(C(=O)N[C@@H]2C[C@H](Nc3nccnc3-c3nnn[n-]3)C23CCC3)C1 ZINC001575629047 950732650 /nfs/dbraw/zinc/73/26/50/950732650.db2.gz JIXUTIWAGNJJPY-QWHCGFSZSA-N -1 1 382.472 1.932 20 0 GDADMM CC1(C)CC(C(=O)N[C@@H]2C[C@H](Nc3nccnc3-c3nn[n-]n3)C23CCC3)C1 ZINC001575629047 950732662 /nfs/dbraw/zinc/73/26/62/950732662.db2.gz JIXUTIWAGNJJPY-QWHCGFSZSA-N -1 1 382.472 1.932 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)c2ccccc2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576216584 950737747 /nfs/dbraw/zinc/73/77/47/950737747.db2.gz DMDUSVMYNCZXMQ-ZFWWWQNUSA-N -1 1 392.467 1.315 20 0 GDADMM CC(C)(C)c1cccc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001573881348 950750384 /nfs/dbraw/zinc/75/03/84/950750384.db2.gz DDJPYZORGPYIHS-OAHLLOKOSA-N -1 1 392.467 1.963 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cnc(C2CC2)s1)Nc1nccnc1-c1nnn[n-]1 ZINC001574764713 950758648 /nfs/dbraw/zinc/75/86/48/950758648.db2.gz WZJMBTBEUWHAOF-VIFPVBQESA-N -1 1 385.457 1.563 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cnc(C2CC2)s1)Nc1nccnc1-c1nn[n-]n1 ZINC001574764713 950758667 /nfs/dbraw/zinc/75/86/67/950758667.db2.gz WZJMBTBEUWHAOF-VIFPVBQESA-N -1 1 385.457 1.563 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)COCC1CCCC1 ZINC001575927941 950763973 /nfs/dbraw/zinc/76/39/73/950763973.db2.gz WKNPQYNBJKZTES-GXTWGEPZSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)COCC1CCCC1 ZINC001575927941 950763977 /nfs/dbraw/zinc/76/39/77/950763977.db2.gz WKNPQYNBJKZTES-GXTWGEPZSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cnn(C2CCC2)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001574764817 950764090 /nfs/dbraw/zinc/76/40/90/950764090.db2.gz ZAFSZZFXXHHGNT-NSHDSACASA-N -1 1 382.432 1.151 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cnn(C2CCC2)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001574764817 950764100 /nfs/dbraw/zinc/76/41/00/950764100.db2.gz ZAFSZZFXXHHGNT-NSHDSACASA-N -1 1 382.432 1.151 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccc(CF)cc1 ZINC001575927948 950766077 /nfs/dbraw/zinc/76/60/77/950766077.db2.gz WMOKDGQUJXINIM-SMDDNHRTSA-N -1 1 382.403 1.841 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccc(CF)cc1 ZINC001575927948 950766090 /nfs/dbraw/zinc/76/60/90/950766090.db2.gz WMOKDGQUJXINIM-SMDDNHRTSA-N -1 1 382.403 1.841 20 0 GDADMM CC1(C)CC(C(=O)NCCC2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001575631047 950771622 /nfs/dbraw/zinc/77/16/22/950771622.db2.gz IVWMEXBTGPWHEY-UHFFFAOYSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C)CC(C(=O)NCCC2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC001575631047 950771637 /nfs/dbraw/zinc/77/16/37/950771637.db2.gz IVWMEXBTGPWHEY-UHFFFAOYSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C)c1cccc(C(=O)N2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)c1 ZINC001573882174 950773229 /nfs/dbraw/zinc/77/32/29/950773229.db2.gz WCVOGTCBYVIRFK-UHFFFAOYSA-N -1 1 392.467 1.917 20 0 GDADMM CC(C)(C)c1cccc(C(=O)N2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)c1 ZINC001573882174 950773241 /nfs/dbraw/zinc/77/32/41/950773241.db2.gz WCVOGTCBYVIRFK-UHFFFAOYSA-N -1 1 392.467 1.917 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)C(C)(C)C2(C)C)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576218004 950776801 /nfs/dbraw/zinc/77/68/01/950776801.db2.gz KDZCGWUFZIOWGL-AAEUAGOBSA-N -1 1 384.488 1.988 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)C(C)(C)C2(C)C)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576218004 950776812 /nfs/dbraw/zinc/77/68/12/950776812.db2.gz KDZCGWUFZIOWGL-AAEUAGOBSA-N -1 1 384.488 1.988 20 0 GDADMM CC1(C)CC(C(=O)NC[C@@H]2COCCN2Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001575631751 950778248 /nfs/dbraw/zinc/77/82/48/950778248.db2.gz TYRMQCUAGBEFLY-CYBMUJFWSA-N -1 1 390.513 1.681 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ncsc1C1CC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574765491 950787800 /nfs/dbraw/zinc/78/78/00/950787800.db2.gz CZXZLSIWHPIBSE-VIFPVBQESA-N -1 1 385.457 1.563 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ncsc1C1CC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574765491 950787815 /nfs/dbraw/zinc/78/78/15/950787815.db2.gz CZXZLSIWHPIBSE-VIFPVBQESA-N -1 1 385.457 1.563 20 0 GDADMM CC(C)(C)c1nc[nH]c1C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573884309 950792251 /nfs/dbraw/zinc/79/22/51/950792251.db2.gz COFCXBNIGWGRIQ-SNVBAGLBSA-N -1 1 382.432 1.004 20 0 GDADMM CC(C)(C)c1nc[nH]c1C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573884309 950792273 /nfs/dbraw/zinc/79/22/73/950792273.db2.gz COFCXBNIGWGRIQ-SNVBAGLBSA-N -1 1 382.432 1.004 20 0 GDADMM CC(C)CC[C@H]1CCC[C@H]1NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001574185286 950796749 /nfs/dbraw/zinc/79/67/49/950796749.db2.gz XGWYFFIYGASNCZ-TZMCWYRMSA-N -1 1 389.460 1.240 20 0 GDADMM CC1(C)CC(CC(=O)N2CCCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575633287 950811735 /nfs/dbraw/zinc/81/17/35/950811735.db2.gz RGYKAHGVDVJTPS-AWEZNQCLSA-N -1 1 384.488 1.698 20 0 GDADMM CC(C)CCCC(=O)N1CCO[C@H]([C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574186656 950817802 /nfs/dbraw/zinc/81/78/02/950817802.db2.gz HRVNYIGMJYFHGO-ZFWWWQNUSA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)CCCC(=O)N1CCO[C@H]([C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574186656 950817836 /nfs/dbraw/zinc/81/78/36/950817836.db2.gz HRVNYIGMJYFHGO-ZFWWWQNUSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H]1[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCN1C(=O)c1cnco1 ZINC001575932208 950820923 /nfs/dbraw/zinc/82/09/23/950820923.db2.gz KNHSWHIZLSWEIS-BQBZGAKWSA-N -1 1 380.821 1.680 20 0 GDADMM C[C@@H]1[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCN1C(=O)c1cnco1 ZINC001575932211 950824905 /nfs/dbraw/zinc/82/49/05/950824905.db2.gz KNHSWHIZLSWEIS-RQJHMYQMSA-N -1 1 380.821 1.680 20 0 GDADMM CC1(C)C[C@H]1C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)CC(C)(C)C1 ZINC001575638484 950831824 /nfs/dbraw/zinc/83/18/24/950831824.db2.gz DTLKPKZBDQMCTA-STQMWFEESA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C[C@H]1C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)CC(C)(C)C1 ZINC001575638484 950831848 /nfs/dbraw/zinc/83/18/48/950831848.db2.gz DTLKPKZBDQMCTA-STQMWFEESA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCc1ccsc1 ZINC001575933217 950835255 /nfs/dbraw/zinc/83/52/55/950835255.db2.gz NIOUANASMLVIGS-DGCLKSJQSA-N -1 1 384.469 1.752 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1ccsc1 ZINC001575933217 950835270 /nfs/dbraw/zinc/83/52/70/950835270.db2.gz NIOUANASMLVIGS-DGCLKSJQSA-N -1 1 384.469 1.752 20 0 GDADMM CC(C)(F)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)CC(C)(C)C1 ZINC001575638841 950842203 /nfs/dbraw/zinc/84/22/03/950842203.db2.gz KIEJLJXAFLKAMM-NSHDSACASA-N -1 1 376.440 1.516 20 0 GDADMM CC(C)(F)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)CC(C)(C)C1 ZINC001575638841 950842214 /nfs/dbraw/zinc/84/22/14/950842214.db2.gz KIEJLJXAFLKAMM-NSHDSACASA-N -1 1 376.440 1.516 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)c2ccccc2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576221961 950862027 /nfs/dbraw/zinc/86/20/27/950862027.db2.gz WTMPTCXHBCVOPO-XJKSGUPXSA-N -1 1 392.467 1.893 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)c2ccccc2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576221961 950862047 /nfs/dbraw/zinc/86/20/47/950862047.db2.gz WTMPTCXHBCVOPO-XJKSGUPXSA-N -1 1 392.467 1.893 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ncoc1C1CC1 ZINC001575934960 950866153 /nfs/dbraw/zinc/86/61/53/950866153.db2.gz UEBXTSZICJKYCC-MWLCHTKSSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ncoc1C1CC1 ZINC001575934960 950866163 /nfs/dbraw/zinc/86/61/63/950866163.db2.gz UEBXTSZICJKYCC-MWLCHTKSSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ncoc1C1CC1 ZINC001575934963 950867604 /nfs/dbraw/zinc/86/76/04/950867604.db2.gz UEBXTSZICJKYCC-ONGXEEELSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ncoc1C1CC1 ZINC001575934963 950867616 /nfs/dbraw/zinc/86/76/16/950867616.db2.gz UEBXTSZICJKYCC-ONGXEEELSA-N -1 1 381.400 1.237 20 0 GDADMM CC(C)CCCC(=O)N[C@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001574189336 950875240 /nfs/dbraw/zinc/87/52/40/950875240.db2.gz IVGDKMDXNWSJQW-HNNXBMFYSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CCCC(=O)N[C@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001574189336 950875246 /nfs/dbraw/zinc/87/52/46/950875246.db2.gz IVGDKMDXNWSJQW-HNNXBMFYSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)C[C@@H](NC(=O)c2ccc[nH]2)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575639873 950880224 /nfs/dbraw/zinc/88/02/24/950880224.db2.gz CDOONVQELGCYDW-LBPRGKRZSA-N -1 1 381.444 1.410 20 0 GDADMM CC1(C)C[C@@H](NC(=O)c2ccc[nH]2)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575639873 950880244 /nfs/dbraw/zinc/88/02/44/950880244.db2.gz CDOONVQELGCYDW-LBPRGKRZSA-N -1 1 381.444 1.410 20 0 GDADMM CC(C)CCCC(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCOCC1 ZINC001574189357 950880472 /nfs/dbraw/zinc/88/04/72/950880472.db2.gz JAIVUEFRWCSWQX-UHFFFAOYSA-N -1 1 388.476 1.560 20 0 GDADMM CC(C)CCCC(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCOCC1 ZINC001574189357 950880481 /nfs/dbraw/zinc/88/04/81/950880481.db2.gz JAIVUEFRWCSWQX-UHFFFAOYSA-N -1 1 388.476 1.560 20 0 GDADMM C[C@@H]1CN(C(=O)C2CC3(CC3)C2)CC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576227294 950907897 /nfs/dbraw/zinc/90/78/97/950907897.db2.gz FOCXUHMAKAMYSM-OLZOCXBDSA-N -1 1 382.472 1.165 20 0 GDADMM CC(C)CCCC(=O)NC[C@H](CO)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574190368 950911177 /nfs/dbraw/zinc/91/11/77/950911177.db2.gz XJKMNTNCWSXWOY-SECBINFHSA-N -1 1 387.897 1.692 20 0 GDADMM CC(C)CCCC(=O)NC[C@@H](O)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001574190401 950912242 /nfs/dbraw/zinc/91/22/42/950912242.db2.gz XTFHIOWXLBRBNY-SECBINFHSA-N -1 1 387.897 1.692 20 0 GDADMM CC(C)CCCC(=O)NC[C@@H](O)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001574190401 950912252 /nfs/dbraw/zinc/91/22/52/950912252.db2.gz XTFHIOWXLBRBNY-SECBINFHSA-N -1 1 387.897 1.692 20 0 GDADMM CC(C)CCCC(=O)N[C@@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)C[C@@H]1O ZINC001574193002 950943746 /nfs/dbraw/zinc/94/37/46/950943746.db2.gz QDWDDDCIHIEGBL-ZJUUUORDSA-N -1 1 399.908 1.469 20 0 GDADMM CC(C)CCCC(=O)N[C@@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)C[C@@H]1O ZINC001574193002 950943768 /nfs/dbraw/zinc/94/37/68/950943768.db2.gz QDWDDDCIHIEGBL-ZJUUUORDSA-N -1 1 399.908 1.469 20 0 GDADMM C[C@@H]1CN(C(=O)C2CC3(CC3)C2)CC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576228430 950944464 /nfs/dbraw/zinc/94/44/64/950944464.db2.gz JZMQPOSNKPQXHQ-OLZOCXBDSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@@H]1CN(C(=O)C2CC3(CC3)C2)CC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576228430 950944492 /nfs/dbraw/zinc/94/44/92/950944492.db2.gz JZMQPOSNKPQXHQ-OLZOCXBDSA-N -1 1 382.472 1.743 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001573896275 950945441 /nfs/dbraw/zinc/94/54/41/950945441.db2.gz HSGZERAMUQFZSI-OAHLLOKOSA-N -1 1 392.467 1.720 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001573896275 950945457 /nfs/dbraw/zinc/94/54/57/950945457.db2.gz HSGZERAMUQFZSI-OAHLLOKOSA-N -1 1 392.467 1.720 20 0 GDADMM C[C@H]1C[C@@H](C(=O)N(C)C2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)CCO1 ZINC001575937547 950949841 /nfs/dbraw/zinc/94/98/41/950949841.db2.gz FVODQMCBGOWKAN-RYUDHWBXSA-N -1 1 376.486 1.386 20 0 GDADMM C[C@H]1[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCN1C(=O)c1cocn1 ZINC001575938215 950972461 /nfs/dbraw/zinc/97/24/61/950972461.db2.gz JMCLPOBFTDUWPH-NKWVEPMBSA-N -1 1 380.821 1.680 20 0 GDADMM C[C@H]1[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCN1C(=O)c1cocn1 ZINC001575938215 950972479 /nfs/dbraw/zinc/97/24/79/950972479.db2.gz JMCLPOBFTDUWPH-NKWVEPMBSA-N -1 1 380.821 1.680 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc(Cl)cn1C ZINC001575938487 950982122 /nfs/dbraw/zinc/98/21/22/950982122.db2.gz OEGIGSZFKQVLJG-MWLCHTKSSA-N -1 1 387.835 1.364 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc(Cl)cn1C ZINC001575938487 950982137 /nfs/dbraw/zinc/98/21/37/950982137.db2.gz OEGIGSZFKQVLJG-MWLCHTKSSA-N -1 1 387.835 1.364 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573899824 950987552 /nfs/dbraw/zinc/98/75/52/950987552.db2.gz KOZRYFNEPKJJSE-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H]1CN(C(=O)C2(F)CCCCC2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576230466 951008344 /nfs/dbraw/zinc/00/83/44/951008344.db2.gz MILWPGLBLSOVTB-OLZOCXBDSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@@H]1CN(C(=O)C2(F)CCCCC2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576230466 951008362 /nfs/dbraw/zinc/00/83/62/951008362.db2.gz MILWPGLBLSOVTB-OLZOCXBDSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)F)o1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575017806 951011963 /nfs/dbraw/zinc/01/19/63/951011963.db2.gz KGLXXCOGAKQCOI-MRVPVSSYSA-N -1 1 378.343 1.665 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)F)o1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575017806 951011976 /nfs/dbraw/zinc/01/19/76/951011976.db2.gz KGLXXCOGAKQCOI-MRVPVSSYSA-N -1 1 378.343 1.665 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(C)(F)F)cc1)Nc1nccnc1-c1nnn[n-]1 ZINC001575018655 951026508 /nfs/dbraw/zinc/02/65/08/951026508.db2.gz NYEJBSIRYQBWCL-JTQLQIEISA-N -1 1 388.382 1.999 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(C)(F)F)cc1)Nc1nccnc1-c1nn[n-]n1 ZINC001575018655 951026519 /nfs/dbraw/zinc/02/65/19/951026519.db2.gz NYEJBSIRYQBWCL-JTQLQIEISA-N -1 1 388.382 1.999 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(C)(C)C)cn1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575019782 951043624 /nfs/dbraw/zinc/04/36/24/951043624.db2.gz VROHHJQVUSCQGN-LLVKDONJSA-N -1 1 381.444 1.580 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(C)(C)C)cn1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575019782 951043638 /nfs/dbraw/zinc/04/36/38/951043638.db2.gz VROHHJQVUSCQGN-LLVKDONJSA-N -1 1 381.444 1.580 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(N(C)C)cc1F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575024773 951115676 /nfs/dbraw/zinc/11/56/76/951115676.db2.gz MNHSQLARDGMHKF-JTQLQIEISA-N -1 1 385.407 1.092 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(N(C)C)cc1F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575024773 951115685 /nfs/dbraw/zinc/11/56/85/951115685.db2.gz MNHSQLARDGMHKF-JTQLQIEISA-N -1 1 385.407 1.092 20 0 GDADMM CCOC(=O)c1nn(-c2ccccc2)cc1CN1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001591279807 951123292 /nfs/dbraw/zinc/12/32/92/951123292.db2.gz MISIAEHWJNBWSY-YWZLYKJASA-N -1 1 385.420 1.582 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575025368 951130278 /nfs/dbraw/zinc/13/02/78/951130278.db2.gz YKAUGBWSXZGAPN-LBPRGKRZSA-N -1 1 378.440 1.766 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575025368 951130286 /nfs/dbraw/zinc/13/02/86/951130286.db2.gz YKAUGBWSXZGAPN-LBPRGKRZSA-N -1 1 378.440 1.766 20 0 GDADMM C[C@H](CNC(=O)c1cccc2c1CCC2)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575027286 951155608 /nfs/dbraw/zinc/15/56/08/951155608.db2.gz DQTCXOUZFKRGLR-LBPRGKRZSA-N -1 1 378.440 1.623 20 0 GDADMM C[C@H](CNC(=O)c1cccc2c1CCC2)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575027286 951155613 /nfs/dbraw/zinc/15/56/13/951155613.db2.gz DQTCXOUZFKRGLR-LBPRGKRZSA-N -1 1 378.440 1.623 20 0 GDADMM C[C@H](CNC(=O)c1cccc(Cl)c1F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575027490 951158406 /nfs/dbraw/zinc/15/84/06/951158406.db2.gz QNJRCXPZYKUMAG-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CNC(=O)c1cccc(Cl)c1F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575027490 951158415 /nfs/dbraw/zinc/15/84/15/951158415.db2.gz QNJRCXPZYKUMAG-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CNC(=O)c1cccc2c1CCCC2)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575028641 951176668 /nfs/dbraw/zinc/17/66/68/951176668.db2.gz PENJQJCIIQZKDV-CYBMUJFWSA-N -1 1 392.467 1.790 20 0 GDADMM C[C@H](CNC(=O)c1cccc2c1CCCC2)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575028641 951176672 /nfs/dbraw/zinc/17/66/72/951176672.db2.gz PENJQJCIIQZKDV-CYBMUJFWSA-N -1 1 392.467 1.790 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2c1O[C@H](C)C2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575029308 951183780 /nfs/dbraw/zinc/18/37/80/951183780.db2.gz SMWHTMHYGSRISF-WDEREUQCSA-N -1 1 380.412 1.211 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2c1O[C@H](C)C2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575029308 951183791 /nfs/dbraw/zinc/18/37/91/951183791.db2.gz SMWHTMHYGSRISF-WDEREUQCSA-N -1 1 380.412 1.211 20 0 GDADMM C[C@@H](CNC(=O)c1cccnc1C1CC1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575031443 951193527 /nfs/dbraw/zinc/19/35/27/951193527.db2.gz AAQVBNAECIVCKU-NSHDSACASA-N -1 1 379.428 1.184 20 0 GDADMM C[C@@H](CNC(=O)c1cccnc1C1CC1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575031443 951193532 /nfs/dbraw/zinc/19/35/32/951193532.db2.gz AAQVBNAECIVCKU-NSHDSACASA-N -1 1 379.428 1.184 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2ccncc21)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575030109 951195070 /nfs/dbraw/zinc/19/50/70/951195070.db2.gz ZTUNIQYQRHELRZ-NSHDSACASA-N -1 1 375.396 1.435 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2ccncc21)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575030109 951195075 /nfs/dbraw/zinc/19/50/75/951195075.db2.gz ZTUNIQYQRHELRZ-NSHDSACASA-N -1 1 375.396 1.435 20 0 GDADMM C[C@H](CNC(=O)c1ccnn1C)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575034414 951247556 /nfs/dbraw/zinc/24/75/56/951247556.db2.gz MZVRAFKOVWUGLE-SSDOTTSWSA-N -1 1 381.853 1.188 20 0 GDADMM C[C@H](CNC(=O)c1ccnn1C)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575034414 951247562 /nfs/dbraw/zinc/24/75/62/951247562.db2.gz MZVRAFKOVWUGLE-SSDOTTSWSA-N -1 1 381.853 1.188 20 0 GDADMM C[C@@H](CNC(=O)c1ccn(C(C)(C)C)n1)CNc1nccnc1-c1nnn[n-]1 ZINC001575034489 951250308 /nfs/dbraw/zinc/25/03/08/951250308.db2.gz BTRXPNCDHPJAIC-LLVKDONJSA-N -1 1 384.448 1.086 20 0 GDADMM C[C@@H](CNC(=O)c1ccn(C(C)(C)C)n1)CNc1nccnc1-c1nn[n-]n1 ZINC001575034489 951250322 /nfs/dbraw/zinc/25/03/22/951250322.db2.gz BTRXPNCDHPJAIC-LLVKDONJSA-N -1 1 384.448 1.086 20 0 GDADMM C[C@@H](CNC(=O)c1cnc(C2CC2)s1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575044840 951420742 /nfs/dbraw/zinc/42/07/42/951420742.db2.gz VXOQFLLLTBFRLV-SECBINFHSA-N -1 1 385.457 1.469 20 0 GDADMM C[C@@H](CNC(=O)c1cnc(C2CC2)s1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575044840 951420750 /nfs/dbraw/zinc/42/07/50/951420750.db2.gz VXOQFLLLTBFRLV-SECBINFHSA-N -1 1 385.457 1.469 20 0 GDADMM C[C@@H](CNC(=O)c1csc(Cl)c1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575056622 951520930 /nfs/dbraw/zinc/52/09/30/951520930.db2.gz JVXKMCAGHQCGFP-MRVPVSSYSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@@H](CNC(=O)c1csc(Cl)c1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575056622 951520938 /nfs/dbraw/zinc/52/09/38/951520938.db2.gz JVXKMCAGHQCGFP-MRVPVSSYSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@@H](CNC(=O)c1csc(C2CC2)n1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575056641 951522516 /nfs/dbraw/zinc/52/25/16/951522516.db2.gz KFEWCODQCZQZOZ-VIFPVBQESA-N -1 1 385.457 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1csc(C2CC2)n1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575056641 951522524 /nfs/dbraw/zinc/52/25/24/951522524.db2.gz KFEWCODQCZQZOZ-VIFPVBQESA-N -1 1 385.457 1.245 20 0 GDADMM C[C@H](CNC(=O)c1csc(Cl)c1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575058838 951534775 /nfs/dbraw/zinc/53/47/75/951534775.db2.gz VRTFGOWVUMMLQP-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@H](CNC(=O)c1csc(Cl)c1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575058838 951534786 /nfs/dbraw/zinc/53/47/86/951534786.db2.gz VRTFGOWVUMMLQP-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@H](CNC(=O)c1ncc(Cl)s1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575060740 951547761 /nfs/dbraw/zinc/54/77/61/951547761.db2.gz FFAIKGSWALOKBR-SSDOTTSWSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@H](CNC(=O)c1ncc(Cl)s1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575060740 951547763 /nfs/dbraw/zinc/54/77/63/951547763.db2.gz FFAIKGSWALOKBR-SSDOTTSWSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@H](CNC(=O)c1nc(Cl)cs1)CNc1nccnc1-c1nnn[n-]1 ZINC001575062807 951571668 /nfs/dbraw/zinc/57/16/68/951571668.db2.gz YUTVXOGNHMMMGP-ZETCQYMHSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@H](CNC(=O)c1nc(Cl)cs1)CNc1nccnc1-c1nn[n-]n1 ZINC001575062807 951571675 /nfs/dbraw/zinc/57/16/75/951571675.db2.gz YUTVXOGNHMMMGP-ZETCQYMHSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1ncccn1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001575065322 951584696 /nfs/dbraw/zinc/58/46/96/951584696.db2.gz BHFIZKYFIOPPQP-ZETCQYMHSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@@H](CNC(=O)c1ncccn1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001575065322 951584701 /nfs/dbraw/zinc/58/47/01/951584701.db2.gz BHFIZKYFIOPPQP-ZETCQYMHSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@@H](CNC(=O)c1nccs1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575066539 951598056 /nfs/dbraw/zinc/59/80/56/951598056.db2.gz GHOLWRUIYBTTGT-LURJTMIESA-N -1 1 384.878 1.688 20 0 GDADMM C[C@@H](CNC(=O)c1ncsc1C1CC1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575066976 951602062 /nfs/dbraw/zinc/60/20/62/951602062.db2.gz OGURIRASPYNNPX-VIFPVBQESA-N -1 1 385.457 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1ncsc1C1CC1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575066976 951602067 /nfs/dbraw/zinc/60/20/67/951602067.db2.gz OGURIRASPYNNPX-VIFPVBQESA-N -1 1 385.457 1.245 20 0 GDADMM C[C@H](CNC(=O)c1ncoc1C(C)(C)C)CNc1nccnc1-c1nnn[n-]1 ZINC001575068072 951630002 /nfs/dbraw/zinc/63/00/02/951630002.db2.gz WZGJUNANZUOYJX-JTQLQIEISA-N -1 1 385.432 1.420 20 0 GDADMM C[C@H](CNC(=O)c1ncoc1C(C)(C)C)CNc1nccnc1-c1nn[n-]n1 ZINC001575068072 951630010 /nfs/dbraw/zinc/63/00/10/951630010.db2.gz WZGJUNANZUOYJX-JTQLQIEISA-N -1 1 385.432 1.420 20 0 GDADMM CC(C)Oc1cccnc1C(=O)NC[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575068262 951632338 /nfs/dbraw/zinc/63/23/38/951632338.db2.gz YXNYOGYDFQUHAM-LLVKDONJSA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1cccnc1C(=O)NC[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575068262 951632343 /nfs/dbraw/zinc/63/23/43/951632343.db2.gz YXNYOGYDFQUHAM-LLVKDONJSA-N -1 1 383.416 1.069 20 0 GDADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)[C@@H]1CCCOCC1)C1CC1 ZINC001575128164 952065076 /nfs/dbraw/zinc/06/50/76/952065076.db2.gz FZAWVLHPYNTLOQ-KZULUSFZSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)[C@@H]1CCCOCC1)C1CC1 ZINC001575128164 952065084 /nfs/dbraw/zinc/06/50/84/952065084.db2.gz FZAWVLHPYNTLOQ-KZULUSFZSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)COc1ccc(F)cc1 ZINC001575135324 952117514 /nfs/dbraw/zinc/11/75/14/952117514.db2.gz QPQQGAQFVFVTNJ-NSHDSACASA-N -1 1 386.391 1.134 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)COc1ccc(F)cc1 ZINC001575135324 952117518 /nfs/dbraw/zinc/11/75/18/952117518.db2.gz QPQQGAQFVFVTNJ-NSHDSACASA-N -1 1 386.391 1.134 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H](C)Cc1ccccc1 ZINC001575136737 952127126 /nfs/dbraw/zinc/12/71/26/952127126.db2.gz WBZGUQGURDPSFT-UONOGXRCSA-N -1 1 380.456 1.794 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H](C)Cc1ccccc1 ZINC001575136737 952127131 /nfs/dbraw/zinc/12/71/31/952127131.db2.gz WBZGUQGURDPSFT-UONOGXRCSA-N -1 1 380.456 1.794 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ocnc1C(F)F ZINC001575137394 952139471 /nfs/dbraw/zinc/13/94/71/952139471.db2.gz XURHMAIIQVWMPF-ZETCQYMHSA-N -1 1 379.331 1.155 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ocnc1C(F)F ZINC001575137394 952139477 /nfs/dbraw/zinc/13/94/77/952139477.db2.gz XURHMAIIQVWMPF-ZETCQYMHSA-N -1 1 379.331 1.155 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(Cl)ccc1F ZINC001575144237 952164628 /nfs/dbraw/zinc/16/46/28/952164628.db2.gz HAHZUHFBBJIDRW-VIFPVBQESA-N -1 1 390.810 1.444 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)Cc1ccc(F)cc1F ZINC001575153521 952210009 /nfs/dbraw/zinc/21/00/09/952210009.db2.gz HWWGBQKIJXIOOT-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)Cc1ccc(F)cc1F ZINC001575153521 952210013 /nfs/dbraw/zinc/21/00/13/952210013.db2.gz HWWGBQKIJXIOOT-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H]1CCCC(F)(F)C1 ZINC001575153951 952215079 /nfs/dbraw/zinc/21/50/79/952215079.db2.gz MNZHLJROIQZTCJ-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H]1CCCC(F)(F)C1 ZINC001575153951 952215083 /nfs/dbraw/zinc/21/50/83/952215083.db2.gz MNZHLJROIQZTCJ-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)Cc1ccsc1)C1CC1 ZINC001575154310 952220357 /nfs/dbraw/zinc/22/03/57/952220357.db2.gz AVFWLHYNBRQFJQ-KRWDZBQOSA-N -1 1 384.469 1.658 20 0 GDADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)Cc1ccsc1)C1CC1 ZINC001575154310 952220364 /nfs/dbraw/zinc/22/03/64/952220364.db2.gz AVFWLHYNBRQFJQ-KRWDZBQOSA-N -1 1 384.469 1.658 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)C(C)(C)[C@H]1CCCCO1 ZINC001575154684 952230074 /nfs/dbraw/zinc/23/00/74/952230074.db2.gz ULEKUTBMPNBIMW-TZMCWYRMSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)C(C)(C)[C@H]1CCCCO1 ZINC001575154684 952230083 /nfs/dbraw/zinc/23/00/83/952230083.db2.gz ULEKUTBMPNBIMW-TZMCWYRMSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)CC[C@@H]1CCOC1)C1CC1 ZINC001575155912 952245214 /nfs/dbraw/zinc/24/52/14/952245214.db2.gz POMDKPHGWNSPEX-XIKOKIGWSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)CC[C@@H]1CCOC1)C1CC1 ZINC001575155912 952245219 /nfs/dbraw/zinc/24/52/19/952245219.db2.gz POMDKPHGWNSPEX-XIKOKIGWSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)COc1ccc(F)cc1 ZINC001575156760 952256516 /nfs/dbraw/zinc/25/65/16/952256516.db2.gz IAUNMRWUFIGGAK-NSHDSACASA-N -1 1 386.391 1.134 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)COc1ccc(F)cc1 ZINC001575156760 952256521 /nfs/dbraw/zinc/25/65/21/952256521.db2.gz IAUNMRWUFIGGAK-NSHDSACASA-N -1 1 386.391 1.134 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H]1CCc2ccccc2C1 ZINC001575156678 952256956 /nfs/dbraw/zinc/25/69/56/952256956.db2.gz HLVBLEAFEJICJP-CJNGLKHVSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCc2ccccc2C1 ZINC001575156678 952256964 /nfs/dbraw/zinc/25/69/64/952256964.db2.gz HLVBLEAFEJICJP-CJNGLKHVSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001575158379 952271532 /nfs/dbraw/zinc/27/15/32/952271532.db2.gz UFLWFBSMJINPQO-KWCYVHTRSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001575158379 952271537 /nfs/dbraw/zinc/27/15/37/952271537.db2.gz UFLWFBSMJINPQO-KWCYVHTRSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)C[C@H]1CCCC1(F)F ZINC001575158406 952271619 /nfs/dbraw/zinc/27/16/19/952271619.db2.gz URNUIABQEIKJLK-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)C[C@H]1CCCC1(F)F ZINC001575158406 952271629 /nfs/dbraw/zinc/27/16/29/952271629.db2.gz URNUIABQEIKJLK-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM O=C([O-])[C@@H]1CN(C(=O)c2n[nH]cc2I)C[C@H]1C1CC1 ZINC001595189799 952273678 /nfs/dbraw/zinc/27/36/78/952273678.db2.gz DWCDBORVZVWNTB-JGVFFNPUSA-N -1 1 375.166 1.197 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1ocnc1C(F)F ZINC001575164314 952292315 /nfs/dbraw/zinc/29/23/15/952292315.db2.gz CVTXETQMQIDWGV-SSDOTTSWSA-N -1 1 379.331 1.155 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1ocnc1C(F)F ZINC001575164314 952292320 /nfs/dbraw/zinc/29/23/20/952292320.db2.gz CVTXETQMQIDWGV-SSDOTTSWSA-N -1 1 379.331 1.155 20 0 GDADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)c1ncccn1 ZINC001575165104 952304248 /nfs/dbraw/zinc/30/42/48/952304248.db2.gz LEDQIVFSSAOBDT-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)Cc1cc[nH]n1 ZINC001575166490 952326321 /nfs/dbraw/zinc/32/63/21/952326321.db2.gz WOTQUEJJUWUQPZ-ZETCQYMHSA-N -1 1 381.853 1.201 20 0 GDADMM C[C@](CNc1ncccc1-c1nn[nH]n1)(NC(=O)c1ncccc1[O-])C1CC1 ZINC001575167466 952336280 /nfs/dbraw/zinc/33/62/80/952336280.db2.gz GPRDFOCBNXQCRB-GOSISDBHSA-N -1 1 380.412 1.373 20 0 GDADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)C[C@@H]1C[C@H]1C1CC1)C1CC1 ZINC001575174348 952370349 /nfs/dbraw/zinc/37/03/49/952370349.db2.gz MTHDHKWKJXOJEM-PJFSTRORSA-N -1 1 382.472 1.790 20 0 GDADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)C[C@@H]1C[C@H]1C1CC1)C1CC1 ZINC001575174348 952370360 /nfs/dbraw/zinc/37/03/60/952370360.db2.gz MTHDHKWKJXOJEM-PJFSTRORSA-N -1 1 382.472 1.790 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)C[C@H]1CCC(F)(F)C1 ZINC001575174755 952379072 /nfs/dbraw/zinc/37/90/72/952379072.db2.gz SFSKKBQABXWDIE-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)C[C@H]1CCC(F)(F)C1 ZINC001575174755 952379080 /nfs/dbraw/zinc/37/90/80/952379080.db2.gz SFSKKBQABXWDIE-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)CCc1ccco1)C1CC1 ZINC001575174921 952379493 /nfs/dbraw/zinc/37/94/93/952379493.db2.gz UKUDFYZUUJORMA-GOSISDBHSA-N -1 1 382.428 1.579 20 0 GDADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)CCc1ccco1)C1CC1 ZINC001575174921 952379500 /nfs/dbraw/zinc/37/95/00/952379500.db2.gz UKUDFYZUUJORMA-GOSISDBHSA-N -1 1 382.428 1.579 20 0 GDADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)Cc1cscn1)C1CC1 ZINC001575175841 952389188 /nfs/dbraw/zinc/38/91/88/952389188.db2.gz YTQRBJWDHFQDSP-MRXNPFEDSA-N -1 1 385.457 1.053 20 0 GDADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)Cc1cscn1)C1CC1 ZINC001575175841 952389193 /nfs/dbraw/zinc/38/91/93/952389193.db2.gz YTQRBJWDHFQDSP-MRXNPFEDSA-N -1 1 385.457 1.053 20 0 GDADMM C[C@@H](COC1CCCC1)CS(=O)(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001575177596 952402667 /nfs/dbraw/zinc/40/26/67/952402667.db2.gz MABJOGJUEONIBS-LBPRGKRZSA-N -1 1 380.474 1.276 20 0 GDADMM C[C@@H](COC1CCCC1)CS(=O)(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001575177596 952402669 /nfs/dbraw/zinc/40/26/69/952402669.db2.gz MABJOGJUEONIBS-LBPRGKRZSA-N -1 1 380.474 1.276 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001575178148 952405481 /nfs/dbraw/zinc/40/54/81/952405481.db2.gz KXWQSFGTEQAGKM-JTQLQIEISA-N -1 1 384.448 1.250 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001575178148 952405487 /nfs/dbraw/zinc/40/54/87/952405487.db2.gz KXWQSFGTEQAGKM-JTQLQIEISA-N -1 1 384.448 1.250 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001575180155 952415636 /nfs/dbraw/zinc/41/56/36/952415636.db2.gz SCVBWWQILCFIKF-IAMHBRQHSA-N -1 1 392.467 1.893 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001575180155 952415637 /nfs/dbraw/zinc/41/56/37/952415637.db2.gz SCVBWWQILCFIKF-IAMHBRQHSA-N -1 1 392.467 1.893 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H](C)Cc1cccc(F)c1 ZINC001575187482 952441524 /nfs/dbraw/zinc/44/15/24/952441524.db2.gz CCVTXVLOYPAYJL-VXGBXAGGSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H](C)Cc1cccc(F)c1 ZINC001575187482 952441529 /nfs/dbraw/zinc/44/15/29/952441529.db2.gz CCVTXVLOYPAYJL-VXGBXAGGSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC001575190572 952462831 /nfs/dbraw/zinc/46/28/31/952462831.db2.gz UKMQBPUXWGZBJP-RYUDHWBXSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC001575190572 952462835 /nfs/dbraw/zinc/46/28/35/952462835.db2.gz UKMQBPUXWGZBJP-RYUDHWBXSA-N -1 1 384.419 1.591 20 0 GDADMM COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccsc1-c1nnn[n-]1 ZINC001571115778 952470312 /nfs/dbraw/zinc/47/03/12/952470312.db2.gz ZOAQIGDWXNLGDT-LBPRGKRZSA-N -1 1 375.385 1.581 20 0 GDADMM COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccsc1-c1nn[n-]n1 ZINC001571115778 952470315 /nfs/dbraw/zinc/47/03/15/952470315.db2.gz ZOAQIGDWXNLGDT-LBPRGKRZSA-N -1 1 375.385 1.581 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@@]1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575195864 952472594 /nfs/dbraw/zinc/47/25/94/952472594.db2.gz CGKKJDFQUDIVJQ-XIKOKIGWSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575195867 952473502 /nfs/dbraw/zinc/47/35/02/952473502.db2.gz CKEVQGDCCPXCLE-JHJVBQTASA-N -1 1 382.428 1.435 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575195867 952473507 /nfs/dbraw/zinc/47/35/07/952473507.db2.gz CKEVQGDCCPXCLE-JHJVBQTASA-N -1 1 382.428 1.435 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575196157 952474544 /nfs/dbraw/zinc/47/45/44/952474544.db2.gz DWAOIUAHPFQIKV-JHJVBQTASA-N -1 1 382.428 1.435 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575196157 952474548 /nfs/dbraw/zinc/47/45/48/952474548.db2.gz DWAOIUAHPFQIKV-JHJVBQTASA-N -1 1 382.428 1.435 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575196162 952474676 /nfs/dbraw/zinc/47/46/76/952474676.db2.gz DWZIDVDFGIIPLU-OLZOCXBDSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575196162 952474678 /nfs/dbraw/zinc/47/46/78/952474678.db2.gz DWZIDVDFGIIPLU-OLZOCXBDSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575197038 952479196 /nfs/dbraw/zinc/47/91/96/952479196.db2.gz MCSOSOPGEPTKRV-STQMWFEESA-N -1 1 382.428 1.071 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575197124 952479680 /nfs/dbraw/zinc/47/96/80/952479680.db2.gz NRBKMPYBAWGXLB-XIKOKIGWSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575197124 952479682 /nfs/dbraw/zinc/47/96/82/952479682.db2.gz NRBKMPYBAWGXLB-XIKOKIGWSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001575197289 952481894 /nfs/dbraw/zinc/48/18/94/952481894.db2.gz RZNQVPBPPGLTOF-BZPMIXESSA-N -1 1 382.428 1.212 20 0 GDADMM Cc1nsc(NC[C@H]2CN(C(=O)[C@@H]3CC34CC4)CCO2)c1-c1nn[n-]n1 ZINC001571118073 952485317 /nfs/dbraw/zinc/48/53/17/952485317.db2.gz UBONFMGITWUIQN-QWRGUYRKSA-N -1 1 375.458 1.071 20 0 GDADMM Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(-c3nn[nH]n3)c2)nn1 ZINC001571120476 952503412 /nfs/dbraw/zinc/50/34/12/952503412.db2.gz NJDUZMLMCNLUDP-HOTGVXAUSA-N -1 1 376.424 1.064 20 0 GDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@H]1Cc2cc(Br)ccc2O1 ZINC001571120528 952504861 /nfs/dbraw/zinc/50/48/61/952504861.db2.gz MYUQAMRBWJAJLP-SNVBAGLBSA-N -1 1 376.174 1.295 20 0 GDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@H]1Cc2cc(Br)ccc2O1 ZINC001571120528 952504868 /nfs/dbraw/zinc/50/48/68/952504868.db2.gz MYUQAMRBWJAJLP-SNVBAGLBSA-N -1 1 376.174 1.295 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001571120693 952507691 /nfs/dbraw/zinc/50/76/91/952507691.db2.gz PQPKTSWJCXYJSW-CQSZACIVSA-N -1 1 376.424 1.556 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571120693 952507693 /nfs/dbraw/zinc/50/76/93/952507693.db2.gz PQPKTSWJCXYJSW-CQSZACIVSA-N -1 1 376.424 1.556 20 0 GDADMM O=C(NCC1CC(Nc2nccnc2-c2nnn[n-]2)C1)[C@H]1Cc2ccccc21 ZINC001571120864 952510790 /nfs/dbraw/zinc/51/07/90/952510790.db2.gz RUIMCOKDPUDBNC-HGMXIMQMSA-N -1 1 376.424 1.303 20 0 GDADMM O=C(NCC1CC(Nc2nccnc2-c2nn[n-]n2)C1)[C@H]1Cc2ccccc21 ZINC001571120864 952510794 /nfs/dbraw/zinc/51/07/94/952510794.db2.gz RUIMCOKDPUDBNC-HGMXIMQMSA-N -1 1 376.424 1.303 20 0 GDADMM CC(C)(C)OC(=O)NC[C@@](C)(NC(=O)c1coc(-c2nnn[n-]2)c1)C1CC1 ZINC001571121049 952512518 /nfs/dbraw/zinc/51/25/18/952512518.db2.gz VNIAJHABFMUPHZ-QGZVFWFLSA-N -1 1 376.417 1.883 20 0 GDADMM CC(C)(C)OC(=O)NC[C@@](C)(NC(=O)c1coc(-c2nn[n-]n2)c1)C1CC1 ZINC001571121049 952512523 /nfs/dbraw/zinc/51/25/23/952512523.db2.gz VNIAJHABFMUPHZ-QGZVFWFLSA-N -1 1 376.417 1.883 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cc(Cl)no1 ZINC001571121277 952517636 /nfs/dbraw/zinc/51/76/36/952517636.db2.gz ZSPUFNHTZDUMFS-YUMQZZPRSA-N -1 1 375.780 1.013 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cc(Cl)no1 ZINC001571121277 952517642 /nfs/dbraw/zinc/51/76/42/952517642.db2.gz ZSPUFNHTZDUMFS-YUMQZZPRSA-N -1 1 375.780 1.013 20 0 GDADMM O=C(N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccc(Cl)s1 ZINC001571121688 952520917 /nfs/dbraw/zinc/52/09/17/952520917.db2.gz BOOKEPKBUNHKIP-QMMMGPOBSA-N -1 1 376.833 1.380 20 0 GDADMM O=C(N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccc(Cl)s1 ZINC001571121688 952520922 /nfs/dbraw/zinc/52/09/22/952520922.db2.gz BOOKEPKBUNHKIP-QMMMGPOBSA-N -1 1 376.833 1.380 20 0 GDADMM CC[C@H](SC)C(=O)N1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001571122359 952524745 /nfs/dbraw/zinc/52/47/45/952524745.db2.gz IXHXFLOXSJUQOJ-ZDUSSCGKSA-N -1 1 376.490 1.145 20 0 GDADMM CC[C@H](SC)C(=O)N1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001571122359 952524749 /nfs/dbraw/zinc/52/47/49/952524749.db2.gz IXHXFLOXSJUQOJ-ZDUSSCGKSA-N -1 1 376.490 1.145 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccc(Cl)s1 ZINC001571122400 952525525 /nfs/dbraw/zinc/52/55/25/952525525.db2.gz JLZJXGNHTGSTJB-OCAPTIKFSA-N -1 1 376.833 1.745 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccc(Cl)s1 ZINC001571122400 952525528 /nfs/dbraw/zinc/52/55/28/952525528.db2.gz JLZJXGNHTGSTJB-OCAPTIKFSA-N -1 1 376.833 1.745 20 0 GDADMM CCc1nc(NC[C@H]2CCCCN2C(=O)[C@H](F)CC)cc(-c2nnn[n-]2)n1 ZINC001571123084 952527778 /nfs/dbraw/zinc/52/77/78/952527778.db2.gz NWQKDRRSXORPIY-VXGBXAGGSA-N -1 1 376.440 1.760 20 0 GDADMM CCc1nc(NC[C@H]2CCCCN2C(=O)[C@H](F)CC)cc(-c2nn[n-]n2)n1 ZINC001571123084 952527781 /nfs/dbraw/zinc/52/77/81/952527781.db2.gz NWQKDRRSXORPIY-VXGBXAGGSA-N -1 1 376.440 1.760 20 0 GDADMM CN(C(=O)C[C@H]1CCCOC1)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571123996 952532083 /nfs/dbraw/zinc/53/20/83/952532083.db2.gz WVZMJENJPUCHLT-GFCCVEGCSA-N -1 1 376.486 1.388 20 0 GDADMM C[C@](O)(CNC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1)c1cccc(F)c1 ZINC001571124357 952537515 /nfs/dbraw/zinc/53/75/15/952537515.db2.gz GQVUKPQAHLIDNZ-KRWDZBQOSA-N -1 1 377.326 1.922 20 0 GDADMM C[C@](O)(CNC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1)c1cccc(F)c1 ZINC001571124357 952537517 /nfs/dbraw/zinc/53/75/17/952537517.db2.gz GQVUKPQAHLIDNZ-KRWDZBQOSA-N -1 1 377.326 1.922 20 0 GDADMM Cc1nsc(N[C@@]2(CO)CCCN(C(=O)CC3CC3)C2)c1-c1nn[n-]n1 ZINC001571127358 952554279 /nfs/dbraw/zinc/55/42/79/952554279.db2.gz FFWFTXVUCAPUAC-INIZCTEOSA-N -1 1 377.474 1.197 20 0 GDADMM CC(=O)NC[C@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)CCC1(F)F ZINC001571127423 952555495 /nfs/dbraw/zinc/55/54/95/952555495.db2.gz GYRJFTCTGZUNBD-ZETCQYMHSA-N -1 1 377.808 1.574 20 0 GDADMM CC(=O)NC[C@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)CCC1(F)F ZINC001571127423 952555497 /nfs/dbraw/zinc/55/54/97/952555497.db2.gz GYRJFTCTGZUNBD-ZETCQYMHSA-N -1 1 377.808 1.574 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1 ZINC001575213637 952559200 /nfs/dbraw/zinc/55/92/00/952559200.db2.gz DHPBZXXIWLOEGT-SCVCMEIPSA-N -1 1 392.414 1.564 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1 ZINC001575213637 952559207 /nfs/dbraw/zinc/55/92/07/952559207.db2.gz DHPBZXXIWLOEGT-SCVCMEIPSA-N -1 1 392.414 1.564 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575213641 952559383 /nfs/dbraw/zinc/55/93/83/952559383.db2.gz DITUKCPRMOSIRF-JTQLQIEISA-N -1 1 380.403 1.163 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575214636 952564839 /nfs/dbraw/zinc/56/48/39/952564839.db2.gz NHBWKZFCCKRUGA-SNVBAGLBSA-N -1 1 380.403 1.423 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575214636 952564843 /nfs/dbraw/zinc/56/48/43/952564843.db2.gz NHBWKZFCCKRUGA-SNVBAGLBSA-N -1 1 380.403 1.423 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1 ZINC001575214514 952565543 /nfs/dbraw/zinc/56/55/43/952565543.db2.gz LPLDZUZEIHAYDR-FOGDFJRCSA-N -1 1 392.414 1.564 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1 ZINC001575214514 952565545 /nfs/dbraw/zinc/56/55/45/952565545.db2.gz LPLDZUZEIHAYDR-FOGDFJRCSA-N -1 1 392.414 1.564 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575215030 952568009 /nfs/dbraw/zinc/56/80/09/952568009.db2.gz RYHOHODAXWYNSC-AOOOYVTPSA-N -1 1 380.403 1.645 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575215030 952568013 /nfs/dbraw/zinc/56/80/13/952568013.db2.gz RYHOHODAXWYNSC-AOOOYVTPSA-N -1 1 380.403 1.645 20 0 GDADMM Cc1nsc(N2CC[C@H](NC(=O)C[C@H]3CCCCO3)C2)c1-c1nn[n-]n1 ZINC001571128659 952569629 /nfs/dbraw/zinc/56/96/29/952569629.db2.gz WFOKMJSBVRTQOE-NWDGAFQWSA-N -1 1 377.474 1.286 20 0 GDADMM O=C(NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCC1(F)F)C1CCC1 ZINC001571129352 952574486 /nfs/dbraw/zinc/57/44/86/952574486.db2.gz CVNVKZVOKREKTH-NSHDSACASA-N -1 1 378.387 1.035 20 0 GDADMM O=C(NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCC1(F)F)C1CCC1 ZINC001571129352 952574488 /nfs/dbraw/zinc/57/44/88/952574488.db2.gz CVNVKZVOKREKTH-NSHDSACASA-N -1 1 378.387 1.035 20 0 GDADMM O=C([C@H]1CC1(F)F)N1CCCCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571130233 952579399 /nfs/dbraw/zinc/57/93/99/952579399.db2.gz QHCRJKHALOTQBY-WDEREUQCSA-N -1 1 378.387 1.495 20 0 GDADMM O=C([C@H]1CC1(F)F)N1CCCCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571130233 952579405 /nfs/dbraw/zinc/57/94/05/952579405.db2.gz QHCRJKHALOTQBY-WDEREUQCSA-N -1 1 378.387 1.495 20 0 GDADMM O=C(C[C@H]1CCC(F)(F)C1)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571130235 952579689 /nfs/dbraw/zinc/57/96/89/952579689.db2.gz QLIMUMBKAQFZRM-LLVKDONJSA-N -1 1 378.387 1.131 20 0 GDADMM O=C(C[C@H]1CCC(F)(F)C1)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571130235 952579691 /nfs/dbraw/zinc/57/96/91/952579691.db2.gz QLIMUMBKAQFZRM-LLVKDONJSA-N -1 1 378.387 1.131 20 0 GDADMM CN(C(=O)[C@@H]1CCC(F)(F)C1)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571130702 952581446 /nfs/dbraw/zinc/58/14/46/952581446.db2.gz UTQWEJVFJVTPPP-GHMZBOCLSA-N -1 1 378.387 1.129 20 0 GDADMM CN(C(=O)[C@@H]1CCC(F)(F)C1)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571130702 952581449 /nfs/dbraw/zinc/58/14/49/952581449.db2.gz UTQWEJVFJVTPPP-GHMZBOCLSA-N -1 1 378.387 1.129 20 0 GDADMM Cc1ccc(CC(=O)N2CCCN(c3nccnc3-c3nnn[n-]3)CC2)cc1 ZINC001571133987 952583896 /nfs/dbraw/zinc/58/38/96/952583896.db2.gz AOECTZJFGMZJMI-UHFFFAOYSA-N -1 1 378.440 1.247 20 0 GDADMM Cc1ccc(CC(=O)N2CCCN(c3nccnc3-c3nn[n-]n3)CC2)cc1 ZINC001571133987 952583900 /nfs/dbraw/zinc/58/39/00/952583900.db2.gz AOECTZJFGMZJMI-UHFFFAOYSA-N -1 1 378.440 1.247 20 0 GDADMM Cc1cc(C)cc(CC(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571134207 952586980 /nfs/dbraw/zinc/58/69/80/952586980.db2.gz BWVQZGBQFASLET-HNNXBMFYSA-N -1 1 378.440 1.211 20 0 GDADMM Cc1cc(C)cc(CC(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571134207 952586985 /nfs/dbraw/zinc/58/69/85/952586985.db2.gz BWVQZGBQFASLET-HNNXBMFYSA-N -1 1 378.440 1.211 20 0 GDADMM Cc1ccccc1C(=O)N1CC[C@@](C)(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571134501 952591463 /nfs/dbraw/zinc/59/14/63/952591463.db2.gz JENQDIOOCRJFNB-IBGZPJMESA-N -1 1 378.440 1.929 20 0 GDADMM Cc1ccccc1C(=O)N1CC[C@@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571134501 952591468 /nfs/dbraw/zinc/59/14/68/952591468.db2.gz JENQDIOOCRJFNB-IBGZPJMESA-N -1 1 378.440 1.929 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccccc1 ZINC001571134556 952592179 /nfs/dbraw/zinc/59/21/79/952592179.db2.gz GQTUAKCAAKXQHY-UKRRQHHQSA-N -1 1 378.440 1.863 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccccc1 ZINC001571134556 952592182 /nfs/dbraw/zinc/59/21/82/952592182.db2.gz GQTUAKCAAKXQHY-UKRRQHHQSA-N -1 1 378.440 1.863 20 0 GDADMM Cc1ccc(C)c(CC(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571134729 952594072 /nfs/dbraw/zinc/59/40/72/952594072.db2.gz MKJXJVHXCLLZMF-GASCZTMLSA-N -1 1 378.440 1.575 20 0 GDADMM Cc1ccc(C)c(CC(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571134729 952594076 /nfs/dbraw/zinc/59/40/76/952594076.db2.gz MKJXJVHXCLLZMF-GASCZTMLSA-N -1 1 378.440 1.575 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H](CCNc3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571134811 952595372 /nfs/dbraw/zinc/59/53/72/952595372.db2.gz NFWNEBGTRIPQQK-AWEZNQCLSA-N -1 1 378.440 1.351 20 0 GDADMM CC[C@H]1CN(C(=O)c2ccccc2)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571134957 952597466 /nfs/dbraw/zinc/59/74/66/952597466.db2.gz NXXMHJBSYLDXKI-ZFWWWQNUSA-N -1 1 378.440 1.431 20 0 GDADMM Cc1cc(C)cc(C(=O)NC[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571135167 952600773 /nfs/dbraw/zinc/60/07/73/952600773.db2.gz QLZMRPDOULGRHW-CQSZACIVSA-N -1 1 378.440 1.530 20 0 GDADMM O=C(NC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1c[nH]cc1C1CC1 ZINC001571146312 952649394 /nfs/dbraw/zinc/64/93/94/952649394.db2.gz FYBBOFNJJWYZBT-LLVKDONJSA-N -1 1 379.428 1.119 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)c2cncc(C)c2)CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571147001 952655153 /nfs/dbraw/zinc/65/51/53/952655153.db2.gz GEAMFFHAMLTGML-DZGCQCFKSA-N -1 1 379.428 1.147 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)c2cncc(C)c2)CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571147001 952655154 /nfs/dbraw/zinc/65/51/54/952655154.db2.gz GEAMFFHAMLTGML-DZGCQCFKSA-N -1 1 379.428 1.147 20 0 GDADMM CCc1ccnc(C(=O)N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571147136 952657532 /nfs/dbraw/zinc/65/75/32/952657532.db2.gz HEODJHFNDAXNAZ-CYBMUJFWSA-N -1 1 379.428 1.331 20 0 GDADMM CCc1ccnc(C(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571147136 952657533 /nfs/dbraw/zinc/65/75/33/952657533.db2.gz HEODJHFNDAXNAZ-CYBMUJFWSA-N -1 1 379.428 1.331 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)nc1 ZINC001571147882 952664237 /nfs/dbraw/zinc/66/42/37/952664237.db2.gz RPLQCLDMCCONFJ-ZDUSSCGKSA-N -1 1 379.428 1.184 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)nc1 ZINC001571147882 952664243 /nfs/dbraw/zinc/66/42/43/952664243.db2.gz RPLQCLDMCCONFJ-ZDUSSCGKSA-N -1 1 379.428 1.184 20 0 GDADMM CCc1cncc(C(=O)NCC2CC(Nc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571148074 952665766 /nfs/dbraw/zinc/66/57/66/952665766.db2.gz UIFTXKQCWTYMHW-UHFFFAOYSA-N -1 1 379.428 1.235 20 0 GDADMM CCc1cncc(C(=O)NCC2CC(Nc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571148074 952665769 /nfs/dbraw/zinc/66/57/69/952665769.db2.gz UIFTXKQCWTYMHW-UHFFFAOYSA-N -1 1 379.428 1.235 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)o1)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC001571150889 952671463 /nfs/dbraw/zinc/67/14/63/952671463.db2.gz ICQADCYGYNRKBH-NEPJUHHUSA-N -1 1 379.442 1.430 20 0 GDADMM O=C(N[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001571152891 952683833 /nfs/dbraw/zinc/68/38/33/952683833.db2.gz KJJPNNXDRPPNET-IMSYWVGJSA-N -1 1 379.877 1.718 20 0 GDADMM CCS(=O)(=O)c1cc(Cl)cc(CNc2cncc(-c3nnn[n-]3)n2)c1 ZINC001571153931 952688356 /nfs/dbraw/zinc/68/83/56/952688356.db2.gz WBEFRMJFFQWLDZ-UHFFFAOYSA-N -1 1 379.833 1.716 20 0 GDADMM CCS(=O)(=O)c1cc(Cl)cc(CNc2cncc(-c3nn[n-]n3)n2)c1 ZINC001571153931 952688359 /nfs/dbraw/zinc/68/83/59/952688359.db2.gz WBEFRMJFFQWLDZ-UHFFFAOYSA-N -1 1 379.833 1.716 20 0 GDADMM Cn1nccc1C(=O)N1CC[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571153942 952688741 /nfs/dbraw/zinc/68/87/41/952688741.db2.gz WQNHEPFYLCUEPO-ZETCQYMHSA-N -1 1 379.837 1.037 20 0 GDADMM Cn1nccc1C(=O)N1CC[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571153942 952688744 /nfs/dbraw/zinc/68/87/44/952688744.db2.gz WQNHEPFYLCUEPO-ZETCQYMHSA-N -1 1 379.837 1.037 20 0 GDADMM CC(C)(C(=O)N1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1)C(F)F ZINC001571154864 952690640 /nfs/dbraw/zinc/69/06/40/952690640.db2.gz CRPCFDKOQZWFHC-JTQLQIEISA-N -1 1 380.403 1.597 20 0 GDADMM CC(C)(C(=O)N1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C1)C(F)F ZINC001571154864 952690642 /nfs/dbraw/zinc/69/06/42/952690642.db2.gz CRPCFDKOQZWFHC-JTQLQIEISA-N -1 1 380.403 1.597 20 0 GDADMM C[C@@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)c1ccoc1C1CC1 ZINC001571155113 952692685 /nfs/dbraw/zinc/69/26/85/952692685.db2.gz ICBGQSWJSDCPQR-PWSUYJOCSA-N -1 1 380.412 1.264 20 0 GDADMM C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1CNc1ncccc1-c1nn[nH]n1 ZINC001571155344 952695854 /nfs/dbraw/zinc/69/58/54/952695854.db2.gz OSQJHCWIOVULSG-RYUDHWBXSA-N -1 1 380.412 1.183 20 0 GDADMM Cc1ccncc1CC(=O)N1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C[C@@H]1C ZINC001571156000 952700055 /nfs/dbraw/zinc/70/00/55/952700055.db2.gz ANHDHRRZXNMNTD-GXTWGEPZSA-N -1 1 379.428 1.004 20 0 GDADMM Cc1ccncc1CC(=O)N1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C[C@@H]1C ZINC001571156000 952700057 /nfs/dbraw/zinc/70/00/57/952700057.db2.gz ANHDHRRZXNMNTD-GXTWGEPZSA-N -1 1 379.428 1.004 20 0 GDADMM Cc1cc(C)nc(C(=O)NC2CC(CNc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571156013 952700629 /nfs/dbraw/zinc/70/06/29/952700629.db2.gz ATYGEESMGNFSSM-UHFFFAOYSA-N -1 1 379.428 1.289 20 0 GDADMM Cc1cc(C)nc(C(=O)NC2CC(CNc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571156013 952700632 /nfs/dbraw/zinc/70/06/32/952700632.db2.gz ATYGEESMGNFSSM-UHFFFAOYSA-N -1 1 379.428 1.289 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H](N(C)c3ccnc(-c4nn[n-]n4)n3)C2)cc(C)n1 ZINC001571156739 952705058 /nfs/dbraw/zinc/70/50/58/952705058.db2.gz IKJLZAYUZUVZGS-AWEZNQCLSA-N -1 1 379.428 1.019 20 0 GDADMM Cc1cccc(C(=O)N2C[C@H](C)[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001571157232 952706887 /nfs/dbraw/zinc/70/68/87/952706887.db2.gz NPQQCTRDRBIMNS-WCQYABFASA-N -1 1 379.428 1.180 20 0 GDADMM Cc1cccc(C(=O)N2C[C@H](C)[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001571157232 952706890 /nfs/dbraw/zinc/70/68/90/952706890.db2.gz NPQQCTRDRBIMNS-WCQYABFASA-N -1 1 379.428 1.180 20 0 GDADMM Cc1cnc(C(=O)N[C@@]2(C)CCN(c3nccnc3-c3nnn[n-]3)C2)cc1C ZINC001571157974 952709167 /nfs/dbraw/zinc/70/91/67/952709167.db2.gz PCJIIRDOIKXDHJ-SFHVURJKSA-N -1 1 379.428 1.067 20 0 GDADMM Cc1cnc(C(=O)N[C@@]2(C)CCN(c3nccnc3-c3nn[n-]n3)C2)cc1C ZINC001571157974 952709169 /nfs/dbraw/zinc/70/91/69/952709169.db2.gz PCJIIRDOIKXDHJ-SFHVURJKSA-N -1 1 379.428 1.067 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nnn[n-]3)nn2)o1 ZINC001571158736 952714575 /nfs/dbraw/zinc/71/45/75/952714575.db2.gz NPMPNMYOTMYKNG-XBFCOCLRSA-N -1 1 380.412 1.406 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nn2)o1 ZINC001571158736 952714576 /nfs/dbraw/zinc/71/45/76/952714576.db2.gz NPMPNMYOTMYKNG-XBFCOCLRSA-N -1 1 380.412 1.406 20 0 GDADMM Cc1ccc(C(=O)N[C@]23CCC[C@H]2CN(c2nccnc2-c2nnn[n-]2)C3)o1 ZINC001571159013 952717543 /nfs/dbraw/zinc/71/75/43/952717543.db2.gz PDAFVXBGGUVHOC-SGTLLEGYSA-N -1 1 380.412 1.347 20 0 GDADMM Cc1ccc(C(=O)N[C@]23CCC[C@H]2CN(c2nccnc2-c2nn[n-]n2)C3)o1 ZINC001571159013 952717548 /nfs/dbraw/zinc/71/75/48/952717548.db2.gz PDAFVXBGGUVHOC-SGTLLEGYSA-N -1 1 380.412 1.347 20 0 GDADMM COc1ccccc1C(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571159497 952719477 /nfs/dbraw/zinc/71/94/77/952719477.db2.gz WIODAGQOBDXZQX-UHFFFAOYSA-N -1 1 380.412 1.018 20 0 GDADMM Cc1cnc(C(=O)N2CCC[C@H]2CNc2cnc(-c3nnn[n-]3)cn2)c(C)c1 ZINC001571159744 952722349 /nfs/dbraw/zinc/72/23/49/952722349.db2.gz WFQIHHDBBLBCCK-ZDUSSCGKSA-N -1 1 379.428 1.385 20 0 GDADMM Cc1cnc(C(=O)N2CCC[C@H]2CNc2cnc(-c3nn[n-]n3)cn2)c(C)c1 ZINC001571159744 952722352 /nfs/dbraw/zinc/72/23/52/952722352.db2.gz WFQIHHDBBLBCCK-ZDUSSCGKSA-N -1 1 379.428 1.385 20 0 GDADMM Cc1occc1C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2 ZINC001571161022 952729176 /nfs/dbraw/zinc/72/91/76/952729176.db2.gz OTZOOVWCYIGAOE-STQMWFEESA-N -1 1 380.412 1.133 20 0 GDADMM O=C(N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccoc1C1CC1 ZINC001571161656 952734269 /nfs/dbraw/zinc/73/42/69/952734269.db2.gz ZWZZABYKPWFJNL-LBPRGKRZSA-N -1 1 380.412 1.526 20 0 GDADMM O=C(N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccoc1C1CC1 ZINC001571161656 952734272 /nfs/dbraw/zinc/73/42/72/952734272.db2.gz ZWZZABYKPWFJNL-LBPRGKRZSA-N -1 1 380.412 1.526 20 0 GDADMM O=C(CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)Nc1ccc(C2CCC2)cc1 ZINC001571171085 952791949 /nfs/dbraw/zinc/79/19/49/952791949.db2.gz NTTROGNLHJLSAS-UHFFFAOYSA-N -1 1 381.396 1.425 20 0 GDADMM O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CCC[C@@H]2[C@@H]1CCN2c1nccnc1-c1nnn[n-]1 ZINC001571171546 952793771 /nfs/dbraw/zinc/79/37/71/952793771.db2.gz BSKRBUVHGOYSLI-SEBNEYGDSA-N -1 1 380.456 1.273 20 0 GDADMM O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CCC[C@@H]2[C@@H]1CCN2c1nccnc1-c1nn[n-]n1 ZINC001571171546 952793774 /nfs/dbraw/zinc/79/37/74/952793774.db2.gz BSKRBUVHGOYSLI-SEBNEYGDSA-N -1 1 380.456 1.273 20 0 GDADMM Cc1c(CC(=O)Nc2cccc(OC(F)(F)F)c2-c2nn[n-]n2)cnn1C ZINC001571171493 952794115 /nfs/dbraw/zinc/79/41/15/952794115.db2.gz ANHRVICEJURALI-UHFFFAOYSA-N -1 1 381.318 1.988 20 0 GDADMM Cc1ccc([C@H](O)CNS(=O)(=O)c2c(C)cc(F)cc2-c2nn[n-]n2)o1 ZINC001571171643 952795046 /nfs/dbraw/zinc/79/50/46/952795046.db2.gz USFKCNOTJLBYSK-GFCCVEGCSA-N -1 1 381.389 1.228 20 0 GDADMM O=C(C1=CCCC1)N1CCC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CC[C@@H]21 ZINC001571171719 952796403 /nfs/dbraw/zinc/79/64/03/952796403.db2.gz DZJUOLUMBVWKQV-GJZGRUSLSA-N -1 1 380.456 1.584 20 0 GDADMM O=C(c1cocn1)N1CCCN(c2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001571172368 952806641 /nfs/dbraw/zinc/80/66/41/952806641.db2.gz UECOBOCIEORKQM-UHFFFAOYSA-N -1 1 380.821 1.317 20 0 GDADMM Cc1nocc1C(=O)NC1CC2(C1)CC(Nc1cncc(-c3nnn[n-]3)n1)C2 ZINC001571176614 952834252 /nfs/dbraw/zinc/83/42/52/952834252.db2.gz WBKRNADLLREUBK-UHFFFAOYSA-N -1 1 381.400 1.106 20 0 GDADMM Cc1nocc1C(=O)NC1CC2(C1)CC(Nc1cncc(-c3nn[n-]n3)n1)C2 ZINC001571176614 952834255 /nfs/dbraw/zinc/83/42/55/952834255.db2.gz WBKRNADLLREUBK-UHFFFAOYSA-N -1 1 381.400 1.106 20 0 GDADMM COc1ccc([O-])c(S(=O)(=O)N(C)Cc2cc(-c3nn[nH]n3)cs2)c1 ZINC001571182948 952870960 /nfs/dbraw/zinc/87/09/60/952870960.db2.gz KINCFULONBOONQ-UHFFFAOYSA-N -1 1 381.439 1.463 20 0 GDADMM C[C@@H]1CN(C(=O)Cc2ccc[nH]2)CC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571183600 952881142 /nfs/dbraw/zinc/88/11/42/952881142.db2.gz FKZPRLCPOXPPFT-OLZOCXBDSA-N -1 1 381.444 1.124 20 0 GDADMM C[C@@H]1CN(C(=O)Cc2ccc[nH]2)CC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571183600 952881143 /nfs/dbraw/zinc/88/11/43/952881143.db2.gz FKZPRLCPOXPPFT-OLZOCXBDSA-N -1 1 381.444 1.124 20 0 GDADMM CCc1[nH]ccc1C(=O)N1CC[C@@](C)(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571183910 952884208 /nfs/dbraw/zinc/88/42/08/952884208.db2.gz MTQBMFQLCKAOSG-SFHVURJKSA-N -1 1 381.444 1.512 20 0 GDADMM CCc1[nH]ccc1C(=O)N1CC[C@@](C)(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571183910 952884210 /nfs/dbraw/zinc/88/42/10/952884210.db2.gz MTQBMFQLCKAOSG-SFHVURJKSA-N -1 1 381.444 1.512 20 0 GDADMM CCc1nc(N[C@H]2C[C@@H](C)N(C(=O)c3cccn3C)C2)cc(-c2nnn[n-]2)n1 ZINC001571183915 952884799 /nfs/dbraw/zinc/88/47/99/952884799.db2.gz MTWLCHZNAHNQPL-NEPJUHHUSA-N -1 1 381.444 1.273 20 0 GDADMM CCc1nc(N[C@H]2C[C@@H](C)N(C(=O)c3cccn3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571183915 952884803 /nfs/dbraw/zinc/88/48/03/952884803.db2.gz MTWLCHZNAHNQPL-NEPJUHHUSA-N -1 1 381.444 1.273 20 0 GDADMM CCc1[nH]ccc1C(=O)N1CC[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571183943 952886331 /nfs/dbraw/zinc/88/63/31/952886331.db2.gz NFCZMVKPUGYHDE-LBPRGKRZSA-N -1 1 381.444 1.512 20 0 GDADMM CCc1[nH]ccc1C(=O)N1CC[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571183943 952886334 /nfs/dbraw/zinc/88/63/34/952886334.db2.gz NFCZMVKPUGYHDE-LBPRGKRZSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@@H](CC(=O)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1)n1cccc1 ZINC001571184140 952888037 /nfs/dbraw/zinc/88/80/37/952888037.db2.gz RMCHPEFEWSNYMP-AWEZNQCLSA-N -1 1 381.444 1.148 20 0 GDADMM C[C@@H](CC(=O)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1)n1cccc1 ZINC001571184140 952888042 /nfs/dbraw/zinc/88/80/42/952888042.db2.gz RMCHPEFEWSNYMP-AWEZNQCLSA-N -1 1 381.444 1.148 20 0 GDADMM CCc1[nH]ccc1C(=O)N[C@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571184278 952890543 /nfs/dbraw/zinc/89/05/43/952890543.db2.gz VKPKFNYCSMMWTO-NEPJUHHUSA-N -1 1 381.444 1.700 20 0 GDADMM CCc1[nH]ccc1C(=O)N[C@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571184278 952890548 /nfs/dbraw/zinc/89/05/48/952890548.db2.gz VKPKFNYCSMMWTO-NEPJUHHUSA-N -1 1 381.444 1.700 20 0 GDADMM CCn1cccc1C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C[C@@H]1C ZINC001571184641 952894862 /nfs/dbraw/zinc/89/48/62/952894862.db2.gz CCAZWIDMMGDPQU-STQMWFEESA-N -1 1 381.444 1.583 20 0 GDADMM CCn1cccc1C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C[C@@H]1C ZINC001571184641 952894869 /nfs/dbraw/zinc/89/48/69/952894869.db2.gz CCAZWIDMMGDPQU-STQMWFEESA-N -1 1 381.444 1.583 20 0 GDADMM Cc1[nH]ccc1C(=O)N[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001571184792 952897231 /nfs/dbraw/zinc/89/72/31/952897231.db2.gz DBYIKTBTRQFTAD-AAEUAGOBSA-N -1 1 381.444 1.389 20 0 GDADMM Cc1[nH]ccc1C(=O)N[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001571184792 952897237 /nfs/dbraw/zinc/89/72/37/952897237.db2.gz DBYIKTBTRQFTAD-AAEUAGOBSA-N -1 1 381.444 1.389 20 0 GDADMM Cc1[nH]ccc1C(=O)N[C@H](C)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571185016 952898414 /nfs/dbraw/zinc/89/84/14/952898414.db2.gz GSKFCIQKCSJFIW-DGCLKSJQSA-N -1 1 381.444 1.328 20 0 GDADMM Cc1[nH]ccc1C(=O)N[C@H](C)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571185016 952898417 /nfs/dbraw/zinc/89/84/17/952898417.db2.gz GSKFCIQKCSJFIW-DGCLKSJQSA-N -1 1 381.444 1.328 20 0 GDADMM CCn1cccc1C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)[C@H]1C ZINC001571185380 952900852 /nfs/dbraw/zinc/90/08/52/952900852.db2.gz KVUMIQJTRFKTAB-STQMWFEESA-N -1 1 381.444 1.265 20 0 GDADMM CCn1cccc1C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)[C@H]1C ZINC001571185380 952900855 /nfs/dbraw/zinc/90/08/55/952900855.db2.gz KVUMIQJTRFKTAB-STQMWFEESA-N -1 1 381.444 1.265 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CCC[C@@H](C)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571185573 952901951 /nfs/dbraw/zinc/90/19/51/952901951.db2.gz NDAKPNIEBDNPJJ-IAQYHMDHSA-N -1 1 381.444 1.646 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CCC[C@@H](C)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571185573 952901956 /nfs/dbraw/zinc/90/19/56/952901956.db2.gz NDAKPNIEBDNPJJ-IAQYHMDHSA-N -1 1 381.444 1.646 20 0 GDADMM C[C@H](NC(=O)c1cccn1C)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571185463 952902152 /nfs/dbraw/zinc/90/21/52/952902152.db2.gz LUWPISHQOBUUKP-LBPRGKRZSA-N -1 1 381.444 1.030 20 0 GDADMM C[C@H](NC(=O)c1cccn1C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571185463 952902155 /nfs/dbraw/zinc/90/21/55/952902155.db2.gz LUWPISHQOBUUKP-LBPRGKRZSA-N -1 1 381.444 1.030 20 0 GDADMM CCn1ccc(C(=O)N[C@@]2(C)CCN(c3cncc(-c4nnn[n-]4)n3)C2)c1C ZINC001571186339 952906741 /nfs/dbraw/zinc/90/67/41/952906741.db2.gz WWQWSUFAUSTCNC-SFHVURJKSA-N -1 1 381.444 1.185 20 0 GDADMM CCn1ccc(C(=O)N[C@@]2(C)CCN(c3cncc(-c4nn[n-]n4)n3)C2)c1C ZINC001571186339 952906744 /nfs/dbraw/zinc/90/67/44/952906744.db2.gz WWQWSUFAUSTCNC-SFHVURJKSA-N -1 1 381.444 1.185 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)n1C ZINC001571187809 952909893 /nfs/dbraw/zinc/90/98/93/952909893.db2.gz CFKHXSTVHKVNAN-QWHCGFSZSA-N -1 1 381.444 1.314 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)n1C ZINC001571187809 952909899 /nfs/dbraw/zinc/90/98/99/952909899.db2.gz CFKHXSTVHKVNAN-QWHCGFSZSA-N -1 1 381.444 1.314 20 0 GDADMM Cc1cc(C)c(C(=O)N2CCC[C@H](N(C)c3ccnc(-c4nn[n-]n4)n3)C2)[nH]1 ZINC001571188907 952921569 /nfs/dbraw/zinc/92/15/69/952921569.db2.gz PEVMJCKRWPMCHL-ZDUSSCGKSA-N -1 1 381.444 1.343 20 0 GDADMM Cn1ccc(C(=O)N2CCCCC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571188972 952923132 /nfs/dbraw/zinc/92/31/32/952923132.db2.gz KZLDHJYJQXFDJT-CQSZACIVSA-N -1 1 381.444 1.492 20 0 GDADMM Cn1ccc(C(=O)N2CCCCC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571188972 952923134 /nfs/dbraw/zinc/92/31/34/952923134.db2.gz KZLDHJYJQXFDJT-CQSZACIVSA-N -1 1 381.444 1.492 20 0 GDADMM Cc1nn(C)c(Br)c1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001571194069 952956902 /nfs/dbraw/zinc/95/69/02/952956902.db2.gz FROWTEIOHZETPX-UHFFFAOYSA-N -1 1 382.247 1.663 20 0 GDADMM C[C@]1(NC(=O)c2ccc(CF)cc2)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571195455 952976928 /nfs/dbraw/zinc/97/69/28/952976928.db2.gz AEOIXQPSDDBBSG-SFHVURJKSA-N -1 1 382.403 1.525 20 0 GDADMM C[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccccc1F ZINC001571195674 952977393 /nfs/dbraw/zinc/97/73/93/952977393.db2.gz DECMQNRPYMYBDR-VXGBXAGGSA-N -1 1 382.403 1.901 20 0 GDADMM C[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccccc1F ZINC001571195674 952977398 /nfs/dbraw/zinc/97/73/98/952977398.db2.gz DECMQNRPYMYBDR-VXGBXAGGSA-N -1 1 382.403 1.901 20 0 GDADMM CCCc1occc1C(=O)N[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571198973 952995026 /nfs/dbraw/zinc/99/50/26/952995026.db2.gz JFGRUVIIZMIRON-LBPRGKRZSA-N -1 1 382.428 1.519 20 0 GDADMM CCCc1occc1C(=O)N[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571198973 952995029 /nfs/dbraw/zinc/99/50/29/952995029.db2.gz JFGRUVIIZMIRON-LBPRGKRZSA-N -1 1 382.428 1.519 20 0 GDADMM CCc1occc1C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@H](C)C1 ZINC001571198948 952995158 /nfs/dbraw/zinc/99/51/58/952995158.db2.gz IORLHPNQNUMUQV-NEPJUHHUSA-N -1 1 382.428 1.599 20 0 GDADMM CCc1occc1C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@H](C)C1 ZINC001571198948 952995162 /nfs/dbraw/zinc/99/51/62/952995162.db2.gz IORLHPNQNUMUQV-NEPJUHHUSA-N -1 1 382.428 1.599 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)Cc3occc3C)C2)n1 ZINC001571198997 952995394 /nfs/dbraw/zinc/99/53/94/952995394.db2.gz JUFXZSZXDPIPSN-LBPRGKRZSA-N -1 1 382.428 1.058 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)Cc3occc3C)C2)n1 ZINC001571198997 952995401 /nfs/dbraw/zinc/99/54/01/952995401.db2.gz JUFXZSZXDPIPSN-LBPRGKRZSA-N -1 1 382.428 1.058 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)CCc1ccoc1)c1nccnc1-c1nnn[n-]1 ZINC001571199473 953000960 /nfs/dbraw/zinc/00/09/60/953000960.db2.gz SDZRCYZJNKOKLJ-CQSZACIVSA-N -1 1 382.428 1.310 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)CCc1ccoc1)c1nccnc1-c1nn[n-]n1 ZINC001571199473 953000965 /nfs/dbraw/zinc/00/09/65/953000965.db2.gz SDZRCYZJNKOKLJ-CQSZACIVSA-N -1 1 382.428 1.310 20 0 GDADMM Cc1cc(C(=O)N[C@H](C)C2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)co1 ZINC001571200523 953009329 /nfs/dbraw/zinc/00/93/29/953009329.db2.gz CVTPGAWUZISNLL-GFCCVEGCSA-N -1 1 382.428 1.593 20 0 GDADMM Cc1cc(C(=O)N[C@H](C)C2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)co1 ZINC001571200523 953009332 /nfs/dbraw/zinc/00/93/32/953009332.db2.gz CVTPGAWUZISNLL-GFCCVEGCSA-N -1 1 382.428 1.593 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)oc1C ZINC001571200546 953009400 /nfs/dbraw/zinc/00/94/00/953009400.db2.gz DIMWOCYDUMPBHD-ZDUSSCGKSA-N -1 1 382.428 1.253 20 0 GDADMM Cc1ccc(C(=O)N2CCCCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)o1 ZINC001571201055 953013624 /nfs/dbraw/zinc/01/36/24/953013624.db2.gz IZIANDBVUQIIAG-CYBMUJFWSA-N -1 1 382.428 1.477 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)c1cccc(F)c1 ZINC001571201167 953016379 /nfs/dbraw/zinc/01/63/79/953016379.db2.gz ORIYFMADEZPRAW-CQSZACIVSA-N -1 1 382.403 1.585 20 0 GDADMM Cc1cc(C)c(C(=O)N2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C(C)(C)C2)o1 ZINC001571201657 953019497 /nfs/dbraw/zinc/01/94/97/953019497.db2.gz MLGJDMXKGOJQNK-CYBMUJFWSA-N -1 1 382.428 1.829 20 0 GDADMM Cc1cc(C)c(C(=O)N2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C(C)(C)C2)o1 ZINC001571201657 953019500 /nfs/dbraw/zinc/01/95/00/953019500.db2.gz MLGJDMXKGOJQNK-CYBMUJFWSA-N -1 1 382.428 1.829 20 0 GDADMM O=C(Cc1cccc(F)c1)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571202407 953025936 /nfs/dbraw/zinc/02/59/36/953025936.db2.gz WCOGQHIUAAFWRA-CQSZACIVSA-N -1 1 382.403 1.441 20 0 GDADMM O=C(Cc1cccc(F)c1)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571202407 953025941 /nfs/dbraw/zinc/02/59/41/953025941.db2.gz WCOGQHIUAAFWRA-CQSZACIVSA-N -1 1 382.403 1.441 20 0 GDADMM Cc1occc1C(=O)N1CCC[C@@H](CN(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001571204696 953032783 /nfs/dbraw/zinc/03/27/83/953032783.db2.gz CCHCAHHIEQNSBL-ZDUSSCGKSA-N -1 1 382.428 1.547 20 0 GDADMM Cc1occc1C(=O)N1CCC[C@@H](CN(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001571204696 953032786 /nfs/dbraw/zinc/03/27/86/953032786.db2.gz CCHCAHHIEQNSBL-ZDUSSCGKSA-N -1 1 382.428 1.547 20 0 GDADMM CCCc1cc(C(=O)N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)[nH]n1 ZINC001571205976 953044684 /nfs/dbraw/zinc/04/46/84/953044684.db2.gz PQUZFAAQFMLWOM-LBPRGKRZSA-N -1 1 382.432 1.049 20 0 GDADMM O=C(c1cccs1)N1CC[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571210346 953071463 /nfs/dbraw/zinc/07/14/63/953071463.db2.gz PIINMQDQSRJKCL-NEPJUHHUSA-N -1 1 382.453 1.602 20 0 GDADMM O=C(c1cccs1)N1CCC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571210436 953072259 /nfs/dbraw/zinc/07/22/59/953072259.db2.gz RQSAUEJBSVNORP-NWDGAFQWSA-N -1 1 382.453 1.459 20 0 GDADMM Cc1ccc(CC(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nnn[n-]3)n2)s1 ZINC001571210830 953075404 /nfs/dbraw/zinc/07/54/04/953075404.db2.gz XUDQMHMGURFQCI-RYUDHWBXSA-N -1 1 382.453 1.059 20 0 GDADMM Cc1ccc(CC(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nn[n-]n3)n2)s1 ZINC001571210830 953075408 /nfs/dbraw/zinc/07/54/08/953075408.db2.gz XUDQMHMGURFQCI-RYUDHWBXSA-N -1 1 382.453 1.059 20 0 GDADMM CC1(C(=O)N2CCC[C@@H]3[C@H]2CCN3c2ccc(-c3nnn[n-]3)nn2)CCCC1 ZINC001571211590 953078286 /nfs/dbraw/zinc/07/82/86/953078286.db2.gz CMQMMGHZIKGUGD-HUUCEWRRSA-N -1 1 382.472 1.807 20 0 GDADMM CC1(C(=O)N2CCC[C@@H]3[C@H]2CCN3c2ccc(-c3nn[n-]n3)nn2)CCCC1 ZINC001571211590 953078289 /nfs/dbraw/zinc/07/82/89/953078289.db2.gz CMQMMGHZIKGUGD-HUUCEWRRSA-N -1 1 382.472 1.807 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571212077 953083348 /nfs/dbraw/zinc/08/33/48/953083348.db2.gz IOUMMEKULMWFEX-BFTSITSZSA-N -1 1 382.472 1.566 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571212077 953083351 /nfs/dbraw/zinc/08/33/51/953083351.db2.gz IOUMMEKULMWFEX-BFTSITSZSA-N -1 1 382.472 1.566 20 0 GDADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)[C@@H]1CCN(C(=O)C23CCC(CC2)C3)C1 ZINC001571212055 953083626 /nfs/dbraw/zinc/08/36/26/953083626.db2.gz HXUIJSHGVSHAQJ-TXCIGDHXSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)C23CCC(CC2)C3)C1 ZINC001571212055 953083630 /nfs/dbraw/zinc/08/36/30/953083630.db2.gz HXUIJSHGVSHAQJ-TXCIGDHXSA-N -1 1 382.472 1.886 20 0 GDADMM CCc1nc(N[C@H]2CCCN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)C2)cc(-c2nnn[n-]2)n1 ZINC001571212276 953085772 /nfs/dbraw/zinc/08/57/72/953085772.db2.gz KKJINGXHQHOQDF-DGAVXFQQSA-N -1 1 382.472 1.668 20 0 GDADMM CCc1nc(N[C@H]2CCCN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)C2)cc(-c2nn[n-]n2)n1 ZINC001571212276 953085777 /nfs/dbraw/zinc/08/57/77/953085777.db2.gz KKJINGXHQHOQDF-DGAVXFQQSA-N -1 1 382.472 1.668 20 0 GDADMM C[C@@H]1C[C@H]1C(=O)N1CCC([C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001571212213 953085793 /nfs/dbraw/zinc/08/57/93/953085793.db2.gz JDEZHVJDNKHGDW-BPLDGKMQSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H]1C[C@H]1C(=O)N1CCC([C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571212213 953085799 /nfs/dbraw/zinc/08/57/99/953085799.db2.gz JDEZHVJDNKHGDW-BPLDGKMQSA-N -1 1 382.472 1.378 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)C3(C4CC4)CC3)C[C@@H]2C)n1 ZINC001571212959 953091247 /nfs/dbraw/zinc/09/12/47/953091247.db2.gz OLGPKAIMZANULB-SMDDNHRTSA-N -1 1 382.472 1.804 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)C3(C4CC4)CC3)C[C@@H]2C)n1 ZINC001571212959 953091251 /nfs/dbraw/zinc/09/12/51/953091251.db2.gz OLGPKAIMZANULB-SMDDNHRTSA-N -1 1 382.472 1.804 20 0 GDADMM C[C@H](CC(=O)N1CC[C@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1)C1CC1 ZINC001571213226 953093299 /nfs/dbraw/zinc/09/32/99/953093299.db2.gz PVJQPGBVTOJLTD-YJYMSZOUSA-N -1 1 382.472 1.522 20 0 GDADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@@H]1CCN(C(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001571213319 953094026 /nfs/dbraw/zinc/09/40/26/953094026.db2.gz RGUZTKSATWXVDK-UONOGXRCSA-N -1 1 382.472 1.664 20 0 GDADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001571213319 953094028 /nfs/dbraw/zinc/09/40/28/953094028.db2.gz RGUZTKSATWXVDK-UONOGXRCSA-N -1 1 382.472 1.664 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@H]2CCCN2C(=O)[C@]23C[C@H]2CCC3)n1 ZINC001571214332 953101431 /nfs/dbraw/zinc/10/14/31/953101431.db2.gz XMJJZLAJARZOQU-PJIJBLCYSA-N -1 1 382.472 1.583 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@H]2CCCN2C(=O)[C@]23C[C@H]2CCC3)n1 ZINC001571214332 953101436 /nfs/dbraw/zinc/10/14/36/953101436.db2.gz XMJJZLAJARZOQU-PJIJBLCYSA-N -1 1 382.472 1.583 20 0 GDADMM CN(CC1CCN(C(=O)C2(C3CC3)CC2)CC1)c1cncc(-c2nnn[n-]2)n1 ZINC001571214459 953102629 /nfs/dbraw/zinc/10/26/29/953102629.db2.gz ZACHZIFOHKNHJI-UHFFFAOYSA-N -1 1 382.472 1.522 20 0 GDADMM CN(CC1CCN(C(=O)C2(C3CC3)CC2)CC1)c1cncc(-c2nn[n-]n2)n1 ZINC001571214459 953102631 /nfs/dbraw/zinc/10/26/31/953102631.db2.gz ZACHZIFOHKNHJI-UHFFFAOYSA-N -1 1 382.472 1.522 20 0 GDADMM O=C(c1cscn1)N1CC[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571217658 953110156 /nfs/dbraw/zinc/11/01/56/953110156.db2.gz HBYGXZZAUNJFON-LURJTMIESA-N -1 1 382.862 1.760 20 0 GDADMM O=C(c1ncccc1F)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571218875 953119467 /nfs/dbraw/zinc/11/94/67/953119467.db2.gz GAYXIDZIWAICRO-NSHDSACASA-N -1 1 383.391 1.298 20 0 GDADMM O=C(c1ncccc1F)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571218875 953119468 /nfs/dbraw/zinc/11/94/68/953119468.db2.gz GAYXIDZIWAICRO-NSHDSACASA-N -1 1 383.391 1.298 20 0 GDADMM O=C(N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)C1CCCCCCC1 ZINC001571219081 953122086 /nfs/dbraw/zinc/12/20/86/953122086.db2.gz UUZSKJNIXCHGNX-FOLVSLTJSA-N -1 1 382.472 1.568 20 0 GDADMM O=C(CCC1CC1)N1CCC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CC[C@H]21 ZINC001571219057 953122515 /nfs/dbraw/zinc/12/25/15/953122515.db2.gz UCFXIPJFQGBRHC-GDBMZVCRSA-N -1 1 382.472 1.664 20 0 GDADMM O=C(CCC1CC1)N1CCC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CC[C@H]21 ZINC001571219057 953122517 /nfs/dbraw/zinc/12/25/17/953122517.db2.gz UCFXIPJFQGBRHC-GDBMZVCRSA-N -1 1 382.472 1.664 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)C1CCC(C2CC2)CC1 ZINC001571219413 953126172 /nfs/dbraw/zinc/12/61/72/953126172.db2.gz ZLFPFYLMVLYMDG-ZMYVRHLSSA-N -1 1 382.472 1.932 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)C1CCC(C2CC2)CC1 ZINC001571219413 953126176 /nfs/dbraw/zinc/12/61/76/953126176.db2.gz ZLFPFYLMVLYMDG-ZMYVRHLSSA-N -1 1 382.472 1.932 20 0 GDADMM CCN(CC1CCN(C(=O)c2cnco2)CC1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571222197 953132354 /nfs/dbraw/zinc/13/23/54/953132354.db2.gz FARRQWHDXOGPGF-UHFFFAOYSA-N -1 1 383.416 1.023 20 0 GDADMM CCN(CC1CCN(C(=O)c2cnco2)CC1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571222197 953132358 /nfs/dbraw/zinc/13/23/58/953132358.db2.gz FARRQWHDXOGPGF-UHFFFAOYSA-N -1 1 383.416 1.023 20 0 GDADMM CCc1oncc1C(=O)N[C@H]1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571222317 953133293 /nfs/dbraw/zinc/13/32/93/953133293.db2.gz DPSXVSIMLNCNAS-QWRGUYRKSA-N -1 1 383.416 1.360 20 0 GDADMM CCc1oncc1C(=O)N[C@H]1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571222317 953133294 /nfs/dbraw/zinc/13/32/94/953133294.db2.gz DPSXVSIMLNCNAS-QWRGUYRKSA-N -1 1 383.416 1.360 20 0 GDADMM CCc1cc(C(=O)N2CC[C@@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)[C@H]2C)no1 ZINC001571222356 953134254 /nfs/dbraw/zinc/13/42/54/953134254.db2.gz GUXKWQGYMKEJKE-ZYHUDNBSSA-N -1 1 383.416 1.231 20 0 GDADMM CCc1cc(C(=O)N2CC[C@@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)[C@H]2C)no1 ZINC001571222356 953134255 /nfs/dbraw/zinc/13/42/55/953134255.db2.gz GUXKWQGYMKEJKE-ZYHUDNBSSA-N -1 1 383.416 1.231 20 0 GDADMM CC[C@H]1CN(C(=O)c2cc(C)no2)CC[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571222392 953134260 /nfs/dbraw/zinc/13/42/60/953134260.db2.gz HPARBTQBOSRBFM-RYUDHWBXSA-N -1 1 383.416 1.306 20 0 GDADMM CC[C@H]1CN(C(=O)c2cc(C)no2)CC[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571222392 953134261 /nfs/dbraw/zinc/13/42/61/953134261.db2.gz HPARBTQBOSRBFM-RYUDHWBXSA-N -1 1 383.416 1.306 20 0 GDADMM CCc1ocnc1C(=O)N[C@H]1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571223046 953141702 /nfs/dbraw/zinc/14/17/02/953141702.db2.gz PNOWADPXGVHPEX-QWRGUYRKSA-N -1 1 383.416 1.218 20 0 GDADMM CCc1ocnc1C(=O)N[C@H]1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571223046 953141705 /nfs/dbraw/zinc/14/17/05/953141705.db2.gz PNOWADPXGVHPEX-QWRGUYRKSA-N -1 1 383.416 1.218 20 0 GDADMM CCc1cc(C(=O)N[C@@H]2CCC[C@H]2CNc2cncc(-c3nnn[n-]3)n2)no1 ZINC001571223191 953142377 /nfs/dbraw/zinc/14/23/77/953142377.db2.gz PKTRZBMAPRMABN-CMPLNLGQSA-N -1 1 383.416 1.218 20 0 GDADMM CCc1cc(C(=O)N[C@@H]2CCC[C@H]2CNc2cncc(-c3nn[n-]n3)n2)no1 ZINC001571223191 953142378 /nfs/dbraw/zinc/14/23/78/953142378.db2.gz PKTRZBMAPRMABN-CMPLNLGQSA-N -1 1 383.416 1.218 20 0 GDADMM CCc1nc(NC[C@@H]2CCN(C(=O)c3conc3C)C2)cc(-c2nnn[n-]2)n1 ZINC001571223615 953145882 /nfs/dbraw/zinc/14/58/82/953145882.db2.gz XPXADDXTUVAARD-NSHDSACASA-N -1 1 383.416 1.090 20 0 GDADMM CCc1nc(NC[C@@H]2CCN(C(=O)c3conc3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571223615 953145884 /nfs/dbraw/zinc/14/58/84/953145884.db2.gz XPXADDXTUVAARD-NSHDSACASA-N -1 1 383.416 1.090 20 0 GDADMM Cc1nc(C)c(C(=O)N[C@@H]2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)o1 ZINC001571224733 953150796 /nfs/dbraw/zinc/15/07/96/953150796.db2.gz FGYPMJLDHSRALA-NWDGAFQWSA-N -1 1 383.416 1.415 20 0 GDADMM Cc1nc(C)c(C(=O)N[C@@H]2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)o1 ZINC001571224733 953150799 /nfs/dbraw/zinc/15/07/99/953150799.db2.gz FGYPMJLDHSRALA-NWDGAFQWSA-N -1 1 383.416 1.415 20 0 GDADMM Cc1noc(C)c1C(=O)NC1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571224880 953151235 /nfs/dbraw/zinc/15/12/35/953151235.db2.gz FVQQXXQXKGWSFV-UHFFFAOYSA-N -1 1 383.416 1.050 20 0 GDADMM Cc1noc(C)c1C(=O)NC1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571224880 953151236 /nfs/dbraw/zinc/15/12/36/953151236.db2.gz FVQQXXQXKGWSFV-UHFFFAOYSA-N -1 1 383.416 1.050 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H]([C@@H](C)Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)on1 ZINC001571224933 953151865 /nfs/dbraw/zinc/15/18/65/953151865.db2.gz GZHGNKSGNDKVQA-NEPJUHHUSA-N -1 1 383.416 1.224 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H]([C@@H](C)Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)on1 ZINC001571224933 953151867 /nfs/dbraw/zinc/15/18/67/953151867.db2.gz GZHGNKSGNDKVQA-NEPJUHHUSA-N -1 1 383.416 1.224 20 0 GDADMM Cc1ocnc1C(=O)NC1(C)CCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001571225968 953155010 /nfs/dbraw/zinc/15/50/10/953155010.db2.gz PGTJUIULJAKGFP-UHFFFAOYSA-N -1 1 383.416 1.050 20 0 GDADMM Cc1ocnc1C(=O)NC1(C)CCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001571225968 953155012 /nfs/dbraw/zinc/15/50/12/953155012.db2.gz PGTJUIULJAKGFP-UHFFFAOYSA-N -1 1 383.416 1.050 20 0 GDADMM Cc1noc(C)c1C(=O)N[C@H]1CC[C@H](C)N(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571227137 953158554 /nfs/dbraw/zinc/15/85/54/953158554.db2.gz ZLLMRMOVXJOMIX-CABZTGNLSA-N -1 1 383.416 1.049 20 0 GDADMM Cc1noc(C)c1C(=O)N[C@H]1CC[C@H](C)N(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571227137 953158555 /nfs/dbraw/zinc/15/85/55/953158555.db2.gz ZLLMRMOVXJOMIX-CABZTGNLSA-N -1 1 383.416 1.049 20 0 GDADMM Cc1ocnc1C(=O)N1CCC[C@@H]([C@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571228676 953166191 /nfs/dbraw/zinc/16/61/91/953166191.db2.gz VMWFVWHPDUSIJY-CMPLNLGQSA-N -1 1 383.416 1.306 20 0 GDADMM Cc1ocnc1C(=O)N1CCC[C@@H]([C@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571228676 953166195 /nfs/dbraw/zinc/16/61/95/953166195.db2.gz VMWFVWHPDUSIJY-CMPLNLGQSA-N -1 1 383.416 1.306 20 0 GDADMM NC(=O)c1ccccc1N1CC[C@@H](NC(=O)c2ccsc2-c2nnn[n-]2)C1 ZINC001571230723 953179728 /nfs/dbraw/zinc/17/97/28/953179728.db2.gz IRMBMFVSFDLBDF-SNVBAGLBSA-N -1 1 383.437 1.036 20 0 GDADMM NC(=O)c1ccccc1N1CC[C@@H](NC(=O)c2ccsc2-c2nn[n-]n2)C1 ZINC001571230723 953179730 /nfs/dbraw/zinc/17/97/30/953179730.db2.gz IRMBMFVSFDLBDF-SNVBAGLBSA-N -1 1 383.437 1.036 20 0 GDADMM Cc1nsc(N2CC[C@H](N(C)C(=O)Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC001571233948 953197508 /nfs/dbraw/zinc/19/75/08/953197508.db2.gz IZGHHKOIOQRPQM-AWEZNQCLSA-N -1 1 383.481 1.911 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CC[C@H]1[C@H]1CCCOC1 ZINC001571234546 953202974 /nfs/dbraw/zinc/20/29/74/953202974.db2.gz BJIQCPBQBWCFFD-JQWIXIFHSA-N -1 1 383.861 1.710 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CC[C@H]1[C@H]1CCCOC1 ZINC001571234546 953202978 /nfs/dbraw/zinc/20/29/78/953202978.db2.gz BJIQCPBQBWCFFD-JQWIXIFHSA-N -1 1 383.861 1.710 20 0 GDADMM COc1cccc(C(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c1F ZINC001571234563 953203218 /nfs/dbraw/zinc/20/32/18/953203218.db2.gz BSFINLIPSKFLGJ-SNVBAGLBSA-N -1 1 384.375 1.131 20 0 GDADMM COc1cccc(C(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c1F ZINC001571234563 953203222 /nfs/dbraw/zinc/20/32/22/953203222.db2.gz BSFINLIPSKFLGJ-SNVBAGLBSA-N -1 1 384.375 1.131 20 0 GDADMM O=C(C[C@@H]1CCOC1)N1CC[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571234923 953206668 /nfs/dbraw/zinc/20/66/68/953206668.db2.gz NCPXXVMXZWSVAL-IUCAKERBSA-N -1 1 383.865 1.416 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001571235150 953209190 /nfs/dbraw/zinc/20/91/90/953209190.db2.gz VBEIAJFWHPIITO-VHSXEESVSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001571235150 953209193 /nfs/dbraw/zinc/20/91/93/953209193.db2.gz VBEIAJFWHPIITO-VHSXEESVSA-N -1 1 384.366 1.506 20 0 GDADMM CCOc1ccccc1[C@H](CC(=O)Nc1n[nH]cc1-c1nnn[n-]1)NC(C)=O ZINC001571235338 953211450 /nfs/dbraw/zinc/21/14/50/953211450.db2.gz ALWPIXLKYFDPAD-ZDUSSCGKSA-N -1 1 384.400 1.195 20 0 GDADMM CCOc1ccccc1[C@H](CC(=O)Nc1n[nH]cc1-c1nn[n-]n1)NC(C)=O ZINC001571235338 953211452 /nfs/dbraw/zinc/21/14/52/953211452.db2.gz ALWPIXLKYFDPAD-ZDUSSCGKSA-N -1 1 384.400 1.195 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)sc1C ZINC001571245109 953270826 /nfs/dbraw/zinc/27/08/26/953270826.db2.gz NTTRQDWYOUJWMG-LBPRGKRZSA-N -1 1 384.469 1.474 20 0 GDADMM CCc1ccc(C(=O)N[C@@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)s1 ZINC001571245594 953275344 /nfs/dbraw/zinc/27/53/44/953275344.db2.gz WDGSSMFZSKTIDY-LLVKDONJSA-N -1 1 384.469 1.598 20 0 GDADMM CCc1ccc(C(=O)N[C@@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)s1 ZINC001571245594 953275347 /nfs/dbraw/zinc/27/53/47/953275347.db2.gz WDGSSMFZSKTIDY-LLVKDONJSA-N -1 1 384.469 1.598 20 0 GDADMM Cc1scc(C(=O)N2CC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)c1C ZINC001571247928 953288463 /nfs/dbraw/zinc/28/84/63/953288463.db2.gz IPWHACKQHPZDBS-GFCCVEGCSA-N -1 1 384.469 1.909 20 0 GDADMM Cc1scc(C(=O)N2CC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)c1C ZINC001571247928 953288466 /nfs/dbraw/zinc/28/84/66/953288466.db2.gz IPWHACKQHPZDBS-GFCCVEGCSA-N -1 1 384.469 1.909 20 0 GDADMM O=C(Cc1ccsc1)N1CC[C@@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571248333 953292166 /nfs/dbraw/zinc/29/21/66/953292166.db2.gz QQOMEYLBOCBQGZ-GFCCVEGCSA-N -1 1 384.469 1.033 20 0 GDADMM CC(C)(C)C(=O)N1CCC([C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571249012 953299902 /nfs/dbraw/zinc/29/99/02/953299902.db2.gz AVFKCKWMMHXQOY-HNNXBMFYSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)(C)C(=O)N1CCC([C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571249012 953299907 /nfs/dbraw/zinc/29/99/07/953299907.db2.gz AVFKCKWMMHXQOY-HNNXBMFYSA-N -1 1 384.488 1.910 20 0 GDADMM CC1(C)C(C(=O)N[C@@H]2CC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)C1(C)C ZINC001571249159 953301224 /nfs/dbraw/zinc/30/12/24/953301224.db2.gz FACMJMRSMLOEMG-VXGBXAGGSA-N -1 1 384.488 1.458 20 0 GDADMM CC(C)C[C@@H]1C[C@H]1C(=O)N1CCC(CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001571249195 953302064 /nfs/dbraw/zinc/30/20/64/953302064.db2.gz FPQHGEGFNRJGEA-HUUCEWRRSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)C[C@@H]1C[C@H]1C(=O)N1CCC(CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001571249195 953302068 /nfs/dbraw/zinc/30/20/68/953302068.db2.gz FPQHGEGFNRJGEA-HUUCEWRRSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H]1CCN(C(=O)C(C)(C)C2CC2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571249341 953304047 /nfs/dbraw/zinc/30/40/47/953304047.db2.gz HRBYNGDLKXFEFP-STQMWFEESA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H]1CCN(C(=O)C(C)(C)C2CC2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571249341 953304051 /nfs/dbraw/zinc/30/40/51/953304051.db2.gz HRBYNGDLKXFEFP-STQMWFEESA-N -1 1 384.488 1.989 20 0 GDADMM CCC1(C(=O)N2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@@H](C)C2)CCCCC1 ZINC001571250070 953308514 /nfs/dbraw/zinc/30/85/14/953308514.db2.gz NSHLWDGUGJJXMG-KBPBESRZSA-N -1 1 384.488 1.698 20 0 GDADMM CC1(C)CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1NC(=O)C1CCCCCC1 ZINC001571250652 953312290 /nfs/dbraw/zinc/31/22/90/953312290.db2.gz RRZWWISNMQQLLJ-OAHLLOKOSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1NC(=O)C1CCCCCC1 ZINC001571250652 953312292 /nfs/dbraw/zinc/31/22/92/953312292.db2.gz RRZWWISNMQQLLJ-OAHLLOKOSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)C(C)(C)C ZINC001571251154 953315736 /nfs/dbraw/zinc/31/57/36/953315736.db2.gz WLVHLUHXQASCTP-MCIONIFRSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)C(C)(C)C ZINC001571251154 953315741 /nfs/dbraw/zinc/31/57/41/953315741.db2.gz WLVHLUHXQASCTP-MCIONIFRSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@H]1CN(C(=O)C2C(C)(C)C2(C)C)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571251463 953317353 /nfs/dbraw/zinc/31/73/53/953317353.db2.gz YGLNOZMPVYZIGX-RYUDHWBXSA-N -1 1 384.488 1.845 20 0 GDADMM C[C@H]1CN(C(=O)C2C(C)(C)C2(C)C)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571251463 953317357 /nfs/dbraw/zinc/31/73/57/953317357.db2.gz YGLNOZMPVYZIGX-RYUDHWBXSA-N -1 1 384.488 1.845 20 0 GDADMM CC1(C)CC[C@H]1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C ZINC001571251440 953317817 /nfs/dbraw/zinc/31/78/17/953317817.db2.gz XNZMZUSIZRWPRM-JSGCOSHPSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)CC[C@H]1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C ZINC001571251440 953317825 /nfs/dbraw/zinc/31/78/25/953317825.db2.gz XNZMZUSIZRWPRM-JSGCOSHPSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H]1C[C@H](NC(=O)C2C(C)(C)C2(C)C)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571251612 953318374 /nfs/dbraw/zinc/31/83/74/953318374.db2.gz ZYDMGHHSCZBDTP-NWDGAFQWSA-N -1 1 384.488 1.812 20 0 GDADMM C[C@H]1C[C@H](NC(=O)C2C(C)(C)C2(C)C)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571251612 953318379 /nfs/dbraw/zinc/31/83/79/953318379.db2.gz ZYDMGHHSCZBDTP-NWDGAFQWSA-N -1 1 384.488 1.812 20 0 GDADMM CN(C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1C(C)(C)C)c1ccnc(-c2nn[n-]n2)n1 ZINC001571252293 953325851 /nfs/dbraw/zinc/32/58/51/953325851.db2.gz JZEZSXVTTNEILP-BFHYXJOUSA-N -1 1 384.488 1.766 20 0 GDADMM CN(C(=O)C1CCC(C)(C)CC1)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571252561 953329469 /nfs/dbraw/zinc/32/94/69/953329469.db2.gz QBDQTLNWUQZKQM-CQSZACIVSA-N -1 1 384.488 1.910 20 0 GDADMM CN(C(=O)C1CCC(C)(C)CC1)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571252561 953329472 /nfs/dbraw/zinc/32/94/72/953329472.db2.gz QBDQTLNWUQZKQM-CQSZACIVSA-N -1 1 384.488 1.910 20 0 GDADMM O=C(c1cccc(Cl)c1)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571255516 953350024 /nfs/dbraw/zinc/35/00/24/953350024.db2.gz MJCHTSFRFJXHPU-NSHDSACASA-N -1 1 384.831 1.884 20 0 GDADMM O=C(c1cccc(Cl)c1)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571255516 953350027 /nfs/dbraw/zinc/35/00/27/953350027.db2.gz MJCHTSFRFJXHPU-NSHDSACASA-N -1 1 384.831 1.884 20 0 GDADMM CCc1ncc(CNC[C@](C)(C(=O)[O-])c2ccccc2)n1S(=O)(=O)N(C)C ZINC001593652119 953714558 /nfs/dbraw/zinc/71/45/58/953714558.db2.gz GUPABXDIIHXZGP-SFHVURJKSA-N -1 1 394.497 1.232 20 0 GDADMM CCn1cc(-c2[nH]ncc2C(=O)N2C[C@@H](c3cnn(C)c3)C[C@H](C(=O)[O-])C2)cn1 ZINC001593664661 953820730 /nfs/dbraw/zinc/82/07/30/953820730.db2.gz IKTDJVWQKKISEO-STQMWFEESA-N -1 1 397.439 1.357 20 0 GDADMM Cc1ccc(NC(=O)CN2CC[C@H](C(=O)[O-])[C@@H](C)C2)cc1S(=O)(=O)N(C)C ZINC000629497954 953830511 /nfs/dbraw/zinc/83/05/11/953830511.db2.gz FWUGCGXRZUYXDE-ZFWWWQNUSA-N -1 1 397.497 1.226 20 0 GDADMM O=C([O-])c1ncccc1NC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC001594811795 953835473 /nfs/dbraw/zinc/83/54/73/953835473.db2.gz LPCMOQUAWSZHGJ-WBVHZDCISA-N -1 1 384.436 1.784 20 0 GDADMM O=C([O-])c1cc(NC(=O)N[C@@]2(CO)CCCN(Cc3ccccc3)C2)ccn1 ZINC001594824130 953931670 /nfs/dbraw/zinc/93/16/70/953931670.db2.gz DVBJAVOKUGCFSA-FQEVSTJZSA-N -1 1 384.436 1.928 20 0 GDADMM O=C([O-])[C@@H]1CC(=O)N(C2CCN(CCCn3c(=O)[nH]c4ccccc43)CC2)C1 ZINC000650498002 954014554 /nfs/dbraw/zinc/01/45/54/954014554.db2.gz CZBHQORPNQBPJG-CQSZACIVSA-N -1 1 386.452 1.530 20 0 GDADMM C[C@H](C1CC1)N(C(=O)CN1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1)C1CC1 ZINC000650499515 954015504 /nfs/dbraw/zinc/01/55/04/954015504.db2.gz UQORYNJCEDJLFJ-HIFRSBDPSA-N -1 1 377.485 1.173 20 0 GDADMM CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)c1 ZINC001593706523 954149475 /nfs/dbraw/zinc/14/94/75/954149475.db2.gz ACPARKNBFNEGOM-GOSISDBHSA-N -1 1 392.433 1.372 20 0 GDADMM COc1cc(C(=O)N(CC(=O)[O-])C2CCC2)cc(NS(C)(=O)=O)c1OC ZINC000655590126 954230704 /nfs/dbraw/zinc/23/07/04/954230704.db2.gz CGAMSVFFBPSNNE-UHFFFAOYSA-N -1 1 386.426 1.155 20 0 GDADMM C[C@@H]1CN(Cc2ccc(CNC(=O)[C@@]3(C(=O)[O-])CCCO3)cc2)C[C@H](C)O1 ZINC001589399302 954402091 /nfs/dbraw/zinc/40/20/91/954402091.db2.gz OTGHAJAHDOWVJG-QEEYODRMSA-N -1 1 376.453 1.546 20 0 GDADMM CN(CCN1CCN(Cc2ccccc2)CC1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001593751480 954419330 /nfs/dbraw/zinc/41/93/30/954419330.db2.gz HWLTYYDSZQMLCZ-MOPGFXCFSA-N -1 1 388.512 1.699 20 0 GDADMM O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cc1cccnc1Cl ZINC001594888307 954485277 /nfs/dbraw/zinc/48/52/77/954485277.db2.gz BXILPWAKSBJAOK-GXSJLCMTSA-N -1 1 393.749 1.400 20 0 GDADMM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cc2ncccc2o1 ZINC001594888780 954492831 /nfs/dbraw/zinc/49/28/31/954492831.db2.gz IDWDDYHEVXGFKS-UFBFGSQYSA-N -1 1 385.298 1.564 20 0 GDADMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1coc(C2CCC2)n1 ZINC001594891535 954532731 /nfs/dbraw/zinc/53/27/31/954532731.db2.gz WHSOLLAJOYNFGO-KOLCDFICSA-N -1 1 389.330 1.678 20 0 GDADMM O=C([O-])C1=NO[C@H](C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)C1 ZINC001594893278 954552427 /nfs/dbraw/zinc/55/24/27/954552427.db2.gz ZPUMHWBVCXTRSO-INIZCTEOSA-N -1 1 394.859 1.198 20 0 GDADMM O=C([O-])C1CCC(O)(CN2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC001594912286 954713269 /nfs/dbraw/zinc/71/32/69/954713269.db2.gz QFDLQKVLFRJAPE-UHFFFAOYSA-N -1 1 376.453 1.947 20 0 GDADMM CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CN1CC[C@@H](C(=O)[O-])C1 ZINC001593789318 954751800 /nfs/dbraw/zinc/75/18/00/954751800.db2.gz TVMVBXDVRCLGMN-GHMZBOCLSA-N -1 1 385.258 1.869 20 0 GDADMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000817872124 955376176 /nfs/dbraw/zinc/37/61/76/955376176.db2.gz CJXYNVZGHMWTHR-VXGBXAGGSA-N -1 1 375.450 1.787 20 0 GDADMM C[C@H](CN(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)C(=O)[O-] ZINC001589032885 955532785 /nfs/dbraw/zinc/53/27/85/955532785.db2.gz RPKVSZHMWLBNDL-ZWNOBZJWSA-N -1 1 387.358 1.945 20 0 GDADMM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(C(=O)Nc3cnn(-c4ccncc4)c3)C2)cn1 ZINC001594540453 955636376 /nfs/dbraw/zinc/63/63/76/955636376.db2.gz QENHZHDZOIBTSQ-ZIAGYGMSSA-N -1 1 395.423 1.723 20 0 GDADMM CN(C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-])c1ccc(F)cc1 ZINC000849232923 955781716 /nfs/dbraw/zinc/78/17/16/955781716.db2.gz UKADUKIMXIAGIT-NWDGAFQWSA-N -1 1 391.321 1.978 20 0 GDADMM O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1scnc1C1CC1 ZINC000851704358 955831263 /nfs/dbraw/zinc/83/12/63/955831263.db2.gz VUUUAQLSQAGXHA-WCBMZHEXSA-N -1 1 391.371 1.757 20 0 GDADMM COc1ccccc1OCC[N@H+]1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000852735267 955843043 /nfs/dbraw/zinc/84/30/43/955843043.db2.gz GYHNUVKZXWPWQQ-SMDDNHRTSA-N -1 1 390.358 1.670 20 0 GDADMM Cc1ccc2oc(C(=O)N3CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]3C(=O)[O-])cc2n1 ZINC000852959110 955899126 /nfs/dbraw/zinc/89/91/26/955899126.db2.gz XEDFWAUNXVRHGK-NOZJJQNGSA-N -1 1 399.325 1.873 20 0 GDADMM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(CC(=O)NCC3(c4ccccc4)CC3)C2)cn1 ZINC000873642756 956071178 /nfs/dbraw/zinc/07/11/78/956071178.db2.gz BWHOYVZKAJEVPO-IAGOWNOFSA-N -1 1 396.491 1.758 20 0 GDADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001589114440 956082374 /nfs/dbraw/zinc/08/23/74/956082374.db2.gz NVQKZGHUBTXMKG-LRTDBIEQSA-N -1 1 394.431 1.840 20 0 GDADMM COC[C@@]1(C(=O)[O-])CCN(C(=O)NCc2n[nH]c(COc3ccccc3)n2)C1 ZINC001593962462 956500772 /nfs/dbraw/zinc/50/07/72/956500772.db2.gz SMRPJRRJZWLNNQ-GOSISDBHSA-N -1 1 389.412 1.016 20 0 GDADMM Nc1c(F)cccc1C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001594663812 956557423 /nfs/dbraw/zinc/55/74/23/956557423.db2.gz YUZORIHGMXCZQJ-MWLCHTKSSA-N -1 1 377.294 1.144 20 0 GDADMM Nc1ccc(Cl)cc1C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001594665549 956571270 /nfs/dbraw/zinc/57/12/70/956571270.db2.gz GHPQOFYGZWTAKY-GHMZBOCLSA-N -1 1 393.749 1.659 20 0 GDADMM COC[C@@]1(C(=O)[O-])CN(C(=O)c2[nH]nc3ccc(Br)cc32)CCO1 ZINC001593981592 956717198 /nfs/dbraw/zinc/71/71/98/956717198.db2.gz CAYDKCCXLZLGLO-OAHLLOKOSA-N -1 1 398.213 1.268 20 0 GDADMM O=C([O-])[C@H]1CC(C(=O)N[C@@H]2CCCN3CCSC[C@@H]23)=NN1c1ccccc1 ZINC000902817982 956805593 /nfs/dbraw/zinc/80/55/93/956805593.db2.gz HMPMAUGCUXRLBJ-OIISXLGYSA-N -1 1 388.493 1.402 20 0 GDADMM COCCN(CCC(=O)[O-])C(=O)NCC1(CN2CCOCC2)CCCCC1 ZINC001353005818 958134527 /nfs/dbraw/zinc/13/45/27/958134527.db2.gz YAUGWIOGJLOPCN-UHFFFAOYSA-N -1 1 385.505 1.402 20 0 GDADMM Cc1ccc(NC(=O)CN2C[C@H](C)C[C@H](C(=O)[O-])C2)cc1S(=O)(=O)N(C)C ZINC001594368947 958521949 /nfs/dbraw/zinc/52/19/49/958521949.db2.gz HZVXAXASAFXVJP-OCCSQVGLSA-N -1 1 397.497 1.226 20 0 GDADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001603233901 972358770 /nfs/dbraw/zinc/35/87/70/972358770.db2.gz BXAYCNXKANZLET-BLLLJJGKSA-N -1 1 392.415 1.892 20 0 GDADMM CC(=O)c1cc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])cs1 ZINC001573355556 958575029 /nfs/dbraw/zinc/57/50/29/958575029.db2.gz CHMSQQXQGUQSSJ-ONGXEEELSA-N -1 1 392.355 1.687 20 0 GDADMM C/C(=C\C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-])c1cnccn1 ZINC001588480287 958586953 /nfs/dbraw/zinc/58/69/53/958586953.db2.gz OIAPSXIJPIVVAA-WWCHLGIESA-N -1 1 386.330 1.003 20 0 GDADMM COc1cccc([C@@H](O)CN(Cc2ccccc2)[C@@H]2CCN(CC(=O)[O-])C2=O)c1 ZINC001594124546 958625998 /nfs/dbraw/zinc/62/59/98/958625998.db2.gz ZXEPMQJGPUQSGI-UXHICEINSA-N -1 1 398.459 1.916 20 0 GDADMM COc1cccc(C[C@H]2CN(C(=O)c3ccc(OCC(=O)[O-])cc3)CCN2)c1 ZINC001594126457 958643098 /nfs/dbraw/zinc/64/30/98/958643098.db2.gz PGYHNGTZMBFCSQ-KRWDZBQOSA-N -1 1 384.432 1.815 20 0 GDADMM Cc1ccc2nc(C(=O)N3CCC[C@H](NC(=O)C(F)(F)F)[C@H]3C(=O)[O-])cn2c1 ZINC001594382606 958647650 /nfs/dbraw/zinc/64/76/50/958647650.db2.gz HGKPREKCDXDCSE-GWCFXTLKSA-N -1 1 398.341 1.379 20 0 GDADMM Cc1cccc([C@H](NC(=O)CCNC(=O)c2n[nH]c3ccccc32)C(=O)[O-])c1 ZINC001594391274 958726647 /nfs/dbraw/zinc/72/66/47/958726647.db2.gz BGNWIQKTEUEAKK-KRWDZBQOSA-N -1 1 380.404 1.933 20 0 GDADMM C[C@H](C(=O)N1CCN(c2ccccn2)CC1)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001588551208 959022560 /nfs/dbraw/zinc/02/25/60/959022560.db2.gz YLLYZJIOXNMCPH-VQIMIIECSA-N -1 1 394.475 1.803 20 0 GDADMM CC(C)CNC(=O)CCC[N@H+]1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001573522520 959126397 /nfs/dbraw/zinc/12/63/97/959126397.db2.gz KIIMSCIDRGVDPV-AAEUAGOBSA-N -1 1 381.395 1.135 20 0 GDADMM Cc1n[nH]c(I)c1C(=O)N1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC001594441491 959277408 /nfs/dbraw/zinc/27/74/08/959277408.db2.gz HRHVQITWVJYQTN-IMTBSYHQSA-N -1 1 377.182 1.648 20 0 GDADMM C[C@H](C(=O)[O-])N(C(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CCCCC1)C1CC1 ZINC001588586203 959312117 /nfs/dbraw/zinc/31/21/17/959312117.db2.gz KDXQCCQQQABWIE-WBMJQRKESA-N -1 1 376.457 1.481 20 0 GDADMM C[C@@H](N[C@@H](Cc1ccccc1)C(=O)[O-])C(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC001573630907 959552987 /nfs/dbraw/zinc/55/29/87/959552987.db2.gz NFGMXRZKSBNBKL-NJAFHUGGSA-N -1 1 398.459 1.959 20 0 GDADMM Cc1nn2c(CN[C@@H]3CCCCN(CC(=O)[O-])C3=O)c(C(C)C)nc2s1 ZINC001594489284 959681476 /nfs/dbraw/zinc/68/14/76/959681476.db2.gz BAQXKRAGLADAJC-GFCCVEGCSA-N -1 1 379.486 1.778 20 0 GDADMM C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001573749551 960537164 /nfs/dbraw/zinc/53/71/64/960537164.db2.gz RLWKOOCLCBZSIJ-PBHICJAKSA-N -1 1 388.468 1.010 20 0 GDADMM COc1ccc(NC(C)=O)c(NS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c1 ZINC001260398888 960720336 /nfs/dbraw/zinc/72/03/36/960720336.db2.gz GPGVHIFEOXRPOT-UHFFFAOYSA-N -1 1 380.378 1.858 20 0 GDADMM O=C([O-])[C@@]1(N2CCN(C(=O)CCc3ncc(-c4ccccc4)o3)CC2)CCOC1 ZINC001261843428 960766941 /nfs/dbraw/zinc/76/69/41/960766941.db2.gz HBERJMFTTUAZMQ-OAQYLSRUSA-N -1 1 399.447 1.662 20 0 GDADMM O=C([O-])[C@@]1(N2CCN(C(=O)C[C@@H]3CCC[C@H](C(F)(F)F)O3)CC2)CCOC1 ZINC001332329151 961551022 /nfs/dbraw/zinc/55/10/22/961551022.db2.gz FZENGLARMIONPH-WOSRLPQWSA-N -1 1 394.390 1.264 20 0 GDADMM Cn1nccc1[C@H]1c2[nH]cnc2CCN1C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001574475222 961645437 /nfs/dbraw/zinc/64/54/37/961645437.db2.gz XPHFEHYUYSDVLB-HNNXBMFYSA-N -1 1 398.427 1.339 20 0 GDADMM CN(C)[C@H](CNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)c1ccc(Cl)cc1 ZINC001573987303 961799266 /nfs/dbraw/zinc/79/92/66/961799266.db2.gz WJURTDCTOWCNJL-HUUCEWRRSA-N -1 1 381.860 1.382 20 0 GDADMM CCO[C@@H]1C[C@@](NC(=O)c2ccnc(N3CCN(C)CC3)c2)(C(=O)[O-])C1(C)C ZINC001334981235 961871783 /nfs/dbraw/zinc/87/17/83/961871783.db2.gz SPPKDRLWXLUCCE-FOIQADDNSA-N -1 1 390.484 1.222 20 0 GDADMM O=C([O-])C1CC2(C1)CC[C@@H](CNC(=O)N[C@H](c1nnc[nH]1)c1ccccc1)O2 ZINC001574564091 962025792 /nfs/dbraw/zinc/02/57/92/962025792.db2.gz DTADFGQTFCTYPM-LPRCSBTHSA-N -1 1 385.424 1.606 20 0 GDADMM O=C([O-])c1cc(NC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)ccn1 ZINC001574608893 962194552 /nfs/dbraw/zinc/19/45/52/962194552.db2.gz XCXATJZABHQBRP-QAPCUYQASA-N -1 1 384.436 1.784 20 0 GDADMM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)[C@H]1CCCC(F)(F)C1 ZINC001574646421 962382971 /nfs/dbraw/zinc/38/29/71/962382971.db2.gz BKEGKCNNQCCBHE-GUBZILKMSA-N -1 1 386.317 1.935 20 0 GDADMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cnc2cnccc2c1 ZINC001574647667 962395177 /nfs/dbraw/zinc/39/51/77/962395177.db2.gz OWDLRULHEDGISL-YPMHNXCESA-N -1 1 396.325 1.366 20 0 GDADMM CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001588954753 962587710 /nfs/dbraw/zinc/58/77/10/962587710.db2.gz RASHCCAFYKAITQ-WWALYXLFSA-N -1 1 380.363 1.218 20 0 GDADMM Cc1ccc(S(=O)(=O)N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1C(=O)[O-] ZINC001352850618 962638349 /nfs/dbraw/zinc/63/83/49/962638349.db2.gz MUAKXPCFUJLIMC-YJBOKZPZSA-N -1 1 395.525 1.340 20 0 GDADMM Cc1c(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cccc1N1CCOC1=O ZINC000266603739 962757079 /nfs/dbraw/zinc/75/70/79/962757079.db2.gz PWFLXKIYDGAJLP-UHFFFAOYSA-N -1 1 379.394 1.789 20 0 GDADMM O=C([O-])CN1CCC[C@@H](C(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)C1=O ZINC001574722266 962778570 /nfs/dbraw/zinc/77/85/70/962778570.db2.gz LFQMNTCYINCPLQ-VIFPVBQESA-N -1 1 384.314 1.843 20 0 GDADMM C[C@@H]1[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])ccn2)CCN1Cc1ccccc1 ZINC000311598218 963495002 /nfs/dbraw/zinc/49/50/02/963495002.db2.gz FXXOFYJKLYDJER-CJNGLKHVSA-N -1 1 375.450 1.721 20 0 GDADMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])no2)CC[N@H+]1Cc1ccccc1 ZINC000315650732 963922735 /nfs/dbraw/zinc/92/27/35/963922735.db2.gz SAVITKOINYAWAS-OCCSQVGLSA-N -1 1 379.438 1.704 20 0 GDADMM CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC000315943538 963956697 /nfs/dbraw/zinc/95/66/97/963956697.db2.gz JEYQEFMPHUITCW-OAHLLOKOSA-N -1 1 393.465 1.952 20 0 GDADMM C[C@H]1CCN(CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)C[C@@H]1C(=O)[O-] ZINC000565302326 968424096 /nfs/dbraw/zinc/42/40/96/968424096.db2.gz DGDWHKBNFODIAO-AAEUAGOBSA-N -1 1 377.397 1.149 20 0 GDADMM C[C@H]1CCN(CC(=O)Nc2cc(Cl)ccc2-n2cncn2)C[C@H]1C(=O)[O-] ZINC000574756445 968457540 /nfs/dbraw/zinc/45/75/40/968457540.db2.gz XEDJYBHKAGDJDO-WCQYABFASA-N -1 1 377.832 1.902 20 0 GDADMM O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCC[N@@H+]1C[C@H](O)CCc1ccccc1 ZINC000923256303 969648965 /nfs/dbraw/zinc/64/89/65/969648965.db2.gz XKMFYPJEWYMEGK-ILXRZTDVSA-N -1 1 388.386 1.576 20 0 GDADMM Cc1cc(C)c(NC(=O)CNC(=O)CN2CC[C@@H](C(=O)[O-])[C@H](C)C2)c(C)c1 ZINC001329595859 969713613 /nfs/dbraw/zinc/71/36/13/969713613.db2.gz JLTVKVPDUSOTRW-HZPDHXFCSA-N -1 1 375.469 1.709 20 0 GDADMM CN1CCN(c2ccccc2CNC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)CC1 ZINC001331932825 969718738 /nfs/dbraw/zinc/71/87/38/969718738.db2.gz TULZQOCPFUWMMK-DLBZAZTESA-N -1 1 375.469 1.325 20 0 GDADMM O=C([O-])CC[C@H]1C[C@H](C(=O)N2CCC(CCCN3CCOCC3)CC2)CO1 ZINC001333124886 969725236 /nfs/dbraw/zinc/72/52/36/969725236.db2.gz MQXXEIOSLPKSKJ-ROUUACIJSA-N -1 1 382.501 1.607 20 0 GDADMM Cc1ccc(F)c(N)c1C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001605281928 973075793 /nfs/dbraw/zinc/07/57/93/973075793.db2.gz BLCLBXKLMPACFA-CABZTGNLSA-N -1 1 391.321 1.453 20 0 GDADMM CC1CCN([C@@H](CNC(=O)c2cn(CC(=O)[O-])nn2)c2cccs2)CC1 ZINC001603427653 973165358 /nfs/dbraw/zinc/16/53/58/973165358.db2.gz YHOPUHHJTSAQAQ-AWEZNQCLSA-N -1 1 377.470 1.627 20 0 GDADMM COC(=O)c1csc(CN2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])n1 ZINC001604411229 973171185 /nfs/dbraw/zinc/17/11/85/973171185.db2.gz VFBUPUJFNUQOHN-XCBNKYQSSA-N -1 1 395.359 1.026 20 0 GDADMM O=C([O-])CN1CCCC[C@@H](NC(=O)NC[C@@H]2CCN2Cc2ccccc2)C1=O ZINC001606254996 973583076 /nfs/dbraw/zinc/58/30/76/973583076.db2.gz DGTDCPLAXNIKTI-DLBZAZTESA-N -1 1 388.468 1.026 20 0 GDADMM COc1cc(C(=O)NCCC(C)(C)C(=O)[O-])cc(NS(C)(=O)=O)c1OC ZINC000424231448 974020662 /nfs/dbraw/zinc/02/06/62/974020662.db2.gz NOADWNJTQSWEIZ-UHFFFAOYSA-N -1 1 388.442 1.306 20 0 GDADMM CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)[C@H]2CC(C(=O)[O-])=NO2)CC1 ZINC001603763740 974212006 /nfs/dbraw/zinc/21/20/06/974212006.db2.gz OOQOLASGVGCQTF-SJKOYZFVSA-N -1 1 392.431 1.374 20 0 GDADMM CC(C)(C(=O)[O-])N1CCN(C(=O)C2(c3cccc(F)c3)CCOCC2)CC1 ZINC000630222395 975168952 /nfs/dbraw/zinc/16/89/52/975168952.db2.gz MULORPYHHMOERY-UHFFFAOYSA-N -1 1 378.444 1.881 20 0 GDADMM CC(=O)CCc1ccc(O[C@H](C)C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)cc1 ZINC000630223242 975170238 /nfs/dbraw/zinc/17/02/38/975170238.db2.gz GFDMEJZVBZOEDI-MRXNPFEDSA-N -1 1 390.480 1.983 20 0 GDADMM CC(C)(C(=O)[O-])N1CCN(C(=O)c2ncccc2OCC(F)(F)F)CC1 ZINC000630228060 975176135 /nfs/dbraw/zinc/17/61/35/975176135.db2.gz SNSMONPDJJBODM-UHFFFAOYSA-N -1 1 375.347 1.644 20 0 GDADMM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC001591760942 975844484 /nfs/dbraw/zinc/84/44/84/975844484.db2.gz CMDFGDZNVJZCAJ-OKILXGFUSA-N -1 1 375.425 1.463 20 0 GDADMM CC(C)[C@H]([NH2+]CCC[N-]S(=O)(=O)N=[S@](C)(=O)C1CCCCC1)C(=O)[O-] ZINC001591901553 976287466 /nfs/dbraw/zinc/28/74/66/976287466.db2.gz HAFCZJUKQPCEJH-LFPIHBKWSA-N -1 1 397.563 1.340 20 0 GDADMM CC(C)c1nc(CC2CCN(S(=O)(=O)c3scnc3C(=O)[O-])CC2)n[nH]1 ZINC001592015433 976697529 /nfs/dbraw/zinc/69/75/29/976697529.db2.gz NETULHCNOGGTBY-UHFFFAOYSA-N -1 1 399.498 1.726 20 0 GDADMM CC(C)c1nnc(CC2CCN(S(=O)(=O)c3scnc3C(=O)[O-])CC2)[nH]1 ZINC001592015433 976697535 /nfs/dbraw/zinc/69/75/35/976697535.db2.gz NETULHCNOGGTBY-UHFFFAOYSA-N -1 1 399.498 1.726 20 0 GDADMM C[C@@](CC(=O)[O-])(NCC(=O)NC1CCC2(CC1)OCCO2)c1ccncc1 ZINC001592318097 977703041 /nfs/dbraw/zinc/70/30/41/977703041.db2.gz BFYSORUQHABHSY-SFHVURJKSA-N -1 1 377.441 1.163 20 0 GDADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)CC1 ZINC001592406070 977980702 /nfs/dbraw/zinc/98/07/02/977980702.db2.gz LEBFJWHLPMXUOI-QLFBSQMISA-N -1 1 397.516 1.933 20 0 GDADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2c[nH]nc2-c2ccc3c(c2)OCO3)CC1 ZINC001592418528 978024815 /nfs/dbraw/zinc/02/48/15/978024815.db2.gz RHLCSEULVPIAKM-GFCCVEGCSA-N -1 1 386.408 1.426 20 0 GDADMM C[C@H](Cn1c(N2CC[C@H](C(=O)[O-])C2)nnc1C(C)(C)C)CN1CCOCC1 ZINC001592623856 978596347 /nfs/dbraw/zinc/59/63/47/978596347.db2.gz KWOUOMIITDNTBM-GJZGRUSLSA-N -1 1 379.505 1.455 20 0 GDADMM C[C@@H](Cn1c(CC2CC2)nnc1N1CC[C@H](C(=O)[O-])C1)CN1CCOCC1 ZINC001592624518 978599220 /nfs/dbraw/zinc/59/92/20/978599220.db2.gz QECXVFCHNHELLK-ZBFHGGJFSA-N -1 1 377.489 1.110 20 0 GDADMM C[C@H](CNC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1)N1CCN(C)CC1 ZINC001592663634 978647640 /nfs/dbraw/zinc/64/76/40/978647640.db2.gz FIUJGZANZRLDHC-CQSZACIVSA-N -1 1 399.495 1.570 20 0 GDADMM CCOC(=O)C(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)[O-])cn1C 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GDADMM CO[C@]1(C)C[C@@H](NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1(C)C ZINC000332492131 532190165 /nfs/dbraw/zinc/19/01/65/532190165.db2.gz YBHKMVJBSCKOQZ-UKRRQHHQSA-N -1 1 394.490 1.679 20 0 GDADMM Cc1nc(S(=O)(=O)[N-][C@@H]2CCO[C@H](C3CC3)C2)c(Br)n1C ZINC000376308936 532204956 /nfs/dbraw/zinc/20/49/56/532204956.db2.gz MCCQJNCXTOTZQN-MNOVXSKESA-N -1 1 378.292 1.727 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccc(I)c([O-])c2)[C@@H](C(N)=O)C1 ZINC000428644568 532213323 /nfs/dbraw/zinc/21/33/23/532213323.db2.gz WARQHRHYOMCIJB-GZMMTYOYSA-N -1 1 388.205 1.723 20 0 GDADMM O=c1nc(NC[C@@H](CO)Cc2ccccc2Br)nc2[nH][n-]cc1-2 ZINC000428671991 532214700 /nfs/dbraw/zinc/21/47/00/532214700.db2.gz WOHZTRNIJWSKIG-VIFPVBQESA-N -1 1 378.230 1.458 20 0 GDADMM CC(=O)Nc1ncc(S(=O)(=O)[N-]Cc2cn(C)nc2C(F)(F)F)s1 ZINC000287700743 532235151 /nfs/dbraw/zinc/23/51/51/532235151.db2.gz FTXIGGHEJKYMHD-UHFFFAOYSA-N -1 1 383.377 1.332 20 0 GDADMM O=C([O-])[C@H]1[C@@H]2CCCN2CCN1S(=O)(=O)c1sccc1Br ZINC000377117615 532242883 /nfs/dbraw/zinc/24/28/83/532242883.db2.gz WCOCAJIJNNULDY-VHSXEESVSA-N -1 1 395.300 1.433 20 0 GDADMM Cc1nc(S(=O)(=O)[N-][C@@H]2c3ccccc3C[C@H]2O)c(Br)n1C ZINC000287824411 532244384 /nfs/dbraw/zinc/24/43/84/532244384.db2.gz NEMPRHSREQCZAI-VXGBXAGGSA-N -1 1 386.271 1.428 20 0 GDADMM COc1cc(C)c(Br)cc1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000377400661 532257444 /nfs/dbraw/zinc/25/74/44/532257444.db2.gz QUBWJSHWPAYPJU-LBPRGKRZSA-N -1 1 382.218 1.493 20 0 GDADMM COC(=O)Cn1cc(S(=O)(=O)[N-]c2cccc(C(=O)OC)c2Cl)cn1 ZINC000431185215 532262194 /nfs/dbraw/zinc/26/21/94/532262194.db2.gz YMQAUMBKUAYBNN-UHFFFAOYSA-N -1 1 387.801 1.297 20 0 GDADMM Cc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCC(C)=C(C)C2)c1 ZINC000348357581 532267473 /nfs/dbraw/zinc/26/74/73/532267473.db2.gz WZQQYSZPTIAVIK-UHFFFAOYSA-N -1 1 387.527 1.894 20 0 GDADMM Cc1cccc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@H]2C(C)C)n1 ZINC000349454351 532287974 /nfs/dbraw/zinc/28/79/74/532287974.db2.gz GNWCMKHKOQAPHI-CQSZACIVSA-N -1 1 375.516 1.582 20 0 GDADMM CO[C@]1(CO)CCCN(C(=O)c2cc(I)ccc2[O-])C1 ZINC000401696239 532304583 /nfs/dbraw/zinc/30/45/83/532304583.db2.gz KSEUIXRYLMMKHX-CQSZACIVSA-N -1 1 391.205 1.610 20 0 GDADMM O=S(=O)([N-]N=c1ccc(S(=O)(=O)N2CCCCC2)c[nH]1)c1ccco1 ZINC000275722071 532307685 /nfs/dbraw/zinc/30/76/85/532307685.db2.gz NUHIXWCHUGZFGU-UHFFFAOYSA-N -1 1 386.455 1.155 20 0 GDADMM Cc1cccc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@@H]3CCCC[C@@H]32)n1 ZINC000349457110 532290725 /nfs/dbraw/zinc/29/07/25/532290725.db2.gz RZICMXMUPUSBHD-GJZGRUSLSA-N -1 1 387.527 1.726 20 0 GDADMM CC[C@H]1[C@@H](C)CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1n[nH]c(C)c1C ZINC000349457654 532290906 /nfs/dbraw/zinc/29/09/06/532290906.db2.gz KFWJKVSTBMPMRA-FZMZJTMJSA-N -1 1 392.547 1.609 20 0 GDADMM C[C@@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000289453748 532325031 /nfs/dbraw/zinc/32/50/31/532325031.db2.gz FHZDRTZYAPZUMV-SFYZADRCSA-N -1 1 381.426 1.246 20 0 GDADMM CC(C)OCc1nc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)cnc2N)no1 ZINC000289513049 532326704 /nfs/dbraw/zinc/32/67/04/532326704.db2.gz LVOUMQNRNCXWBW-MRVPVSSYSA-N -1 1 375.838 1.665 20 0 GDADMM CN1CCN(c2ncccc2CNS(=O)(=O)c2cccc(Cl)c2[O-])CC1 ZINC000631803954 450591044 /nfs/dbraw/zinc/59/10/44/450591044.db2.gz QJEWECHSGUJECE-UHFFFAOYSA-N -1 1 396.900 1.671 20 0 GDADMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2cc(-c3nn[nH]n3)ccc2C)cc1 ZINC000736930877 598824548 /nfs/dbraw/zinc/82/45/48/598824548.db2.gz NGHBNRWDKNLQBJ-UHFFFAOYSA-N -1 1 387.421 1.691 20 0 GDADMM O=C(CCn1ccnn1)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000737863818 598835181 /nfs/dbraw/zinc/83/51/81/598835181.db2.gz VIGQQZUOXLSIQF-UHFFFAOYSA-N -1 1 380.437 1.893 20 0 GDADMM COC(=O)c1sc(C)cc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736957386 598836048 /nfs/dbraw/zinc/83/60/48/598836048.db2.gz REOSEGYHTZFJAB-UHFFFAOYSA-N -1 1 381.395 1.186 20 0 GDADMM COC(=O)c1sc(C)cc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736957386 598836049 /nfs/dbraw/zinc/83/60/49/598836049.db2.gz REOSEGYHTZFJAB-UHFFFAOYSA-N -1 1 381.395 1.186 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCCCN1CCCC1=O ZINC000737201393 598842918 /nfs/dbraw/zinc/84/29/18/598842918.db2.gz RVGXSXYBXPKEHW-UHFFFAOYSA-N -1 1 388.428 1.072 20 0 GDADMM COc1cc(F)c([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)cc1OC ZINC000737053748 598845280 /nfs/dbraw/zinc/84/52/80/598845280.db2.gz LSEUPYIMXXZUNE-UHFFFAOYSA-N -1 1 397.363 1.963 20 0 GDADMM CCOC(=O)c1c(CC)c(C)sc1NC(=O)Cn1cnnc1-c1nn[n-]n1 ZINC000736604370 598875730 /nfs/dbraw/zinc/87/57/30/598875730.db2.gz XSOVZYWKDGKRCO-UHFFFAOYSA-N -1 1 390.429 1.206 20 0 GDADMM CC[C@H](C)[C@](C)(O)CNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000736335168 598932004 /nfs/dbraw/zinc/93/20/04/598932004.db2.gz XWBVKAITHWWEMT-XTZNXHDOSA-N -1 1 376.461 1.430 20 0 GDADMM Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1S(=O)(=O)NC1CC1 ZINC000737359396 598946151 /nfs/dbraw/zinc/94/61/51/598946151.db2.gz DOJLVRBLMARCAN-UHFFFAOYSA-N -1 1 399.436 1.263 20 0 GDADMM Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1S(=O)(=O)NC1CC1 ZINC000737359396 598946152 /nfs/dbraw/zinc/94/61/52/598946152.db2.gz DOJLVRBLMARCAN-UHFFFAOYSA-N -1 1 399.436 1.263 20 0 GDADMM CC(=O)N1CCc2cc([N-]S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3C)ccc21 ZINC000735467576 598946816 /nfs/dbraw/zinc/94/68/16/598946816.db2.gz QVPFCETVWLDWIK-UHFFFAOYSA-N -1 1 398.448 1.885 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)NC[C@@H](C)C[C@H](C)O)c1-c1nn[n-]n1 ZINC000737189805 598952030 /nfs/dbraw/zinc/95/20/30/598952030.db2.gz QPSUMLVBFCCWRS-UWVGGRQHSA-N -1 1 376.486 1.998 20 0 GDADMM CC(C)c1nc([C@H]2CN(c3c4ccccc4nnc3-c3nnn[n-]3)CCO2)no1 ZINC000735939401 598963106 /nfs/dbraw/zinc/96/31/06/598963106.db2.gz IFMRPAVPMMFZCK-CYBMUJFWSA-N -1 1 393.411 1.894 20 0 GDADMM CC(C)c1nc([C@H]2CN(c3c4ccccc4nnc3-c3nn[n-]n3)CCO2)no1 ZINC000735939401 598963107 /nfs/dbraw/zinc/96/31/07/598963107.db2.gz IFMRPAVPMMFZCK-CYBMUJFWSA-N -1 1 393.411 1.894 20 0 GDADMM CN(c1c2ccccc2nnc1-c1nnn[n-]1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000736843106 598967648 /nfs/dbraw/zinc/96/76/48/598967648.db2.gz ZJLNKLBGAQRUGU-CYBMUJFWSA-N -1 1 388.439 1.705 20 0 GDADMM CN(c1c2ccccc2nnc1-c1nn[n-]n1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000736843106 598967650 /nfs/dbraw/zinc/96/76/50/598967650.db2.gz ZJLNKLBGAQRUGU-CYBMUJFWSA-N -1 1 388.439 1.705 20 0 GDADMM COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736938505 598981945 /nfs/dbraw/zinc/98/19/45/598981945.db2.gz BKNTWVPNWIKZIE-MRXNPFEDSA-N -1 1 391.391 1.257 20 0 GDADMM COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736938505 598981948 /nfs/dbraw/zinc/98/19/48/598981948.db2.gz BKNTWVPNWIKZIE-MRXNPFEDSA-N -1 1 391.391 1.257 20 0 GDADMM O=C(Nc1cc(-c2cccs2)nn1CCO)c1ccc(-c2nnn[n-]2)nc1 ZINC000738138767 599002107 /nfs/dbraw/zinc/00/21/07/599002107.db2.gz JCKWJNNPGMAYQW-UHFFFAOYSA-N -1 1 382.409 1.431 20 0 GDADMM O=C(Nc1cc(-c2cccs2)nn1CCO)c1ccc(-c2nn[n-]n2)nc1 ZINC000738138767 599002109 /nfs/dbraw/zinc/00/21/09/599002109.db2.gz JCKWJNNPGMAYQW-UHFFFAOYSA-N -1 1 382.409 1.431 20 0 GDADMM C[C@@H](c1cccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1)N1CCOCC1 ZINC000736199993 599002414 /nfs/dbraw/zinc/00/24/14/599002414.db2.gz QMEDROCDKWBFST-ZDUSSCGKSA-N -1 1 379.424 1.907 20 0 GDADMM Cc1noc(COc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)cc2)n1 ZINC000737547849 599008285 /nfs/dbraw/zinc/00/82/85/599008285.db2.gz YYNBPYFYKKTAHR-UHFFFAOYSA-N -1 1 378.352 1.784 20 0 GDADMM Cc1noc(COc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)cc2)n1 ZINC000737547849 599008286 /nfs/dbraw/zinc/00/82/86/599008286.db2.gz YYNBPYFYKKTAHR-UHFFFAOYSA-N -1 1 378.352 1.784 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCC(c2cc[nH]n2)CC1 ZINC000738355774 599032701 /nfs/dbraw/zinc/03/27/01/599032701.db2.gz SGLUVPBZAMFUEJ-UHFFFAOYSA-N -1 1 377.405 1.297 20 0 GDADMM O=[S@@](Cc1cccc(Nc2nccnc2-c2nnn[n-]2)c1)C1CCOCC1 ZINC000738356438 599067143 /nfs/dbraw/zinc/06/71/43/599067143.db2.gz BWHLAEGLDDMOIA-MHZLTWQESA-N -1 1 385.453 1.828 20 0 GDADMM O=[S@@](Cc1cccc(Nc2nccnc2-c2nn[n-]n2)c1)C1CCOCC1 ZINC000738356438 599067146 /nfs/dbraw/zinc/06/71/46/599067146.db2.gz BWHLAEGLDDMOIA-MHZLTWQESA-N -1 1 385.453 1.828 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(Nc2cccc(CC(F)(F)F)c2)n(C)c1=O ZINC000822600347 599086093 /nfs/dbraw/zinc/08/60/93/599086093.db2.gz LTZMMDVNRMADQJ-UHFFFAOYSA-N -1 1 381.318 1.113 20 0 GDADMM C[C@@H]1C[C@H](Nc2cc(-c3nnn[n-]3)nc3ccccc32)C(=O)N1c1cnn(C)c1 ZINC000820667899 599098308 /nfs/dbraw/zinc/09/83/08/599098308.db2.gz OSAICRUYEVHXSR-DIFFPNOSSA-N -1 1 389.423 1.176 20 0 GDADMM C[C@@H]1C[C@H](Nc2cc(-c3nn[n-]n3)nc3ccccc32)C(=O)N1c1cnn(C)c1 ZINC000820667899 599098311 /nfs/dbraw/zinc/09/83/11/599098311.db2.gz OSAICRUYEVHXSR-DIFFPNOSSA-N -1 1 389.423 1.176 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCc1nccn1CC(C)C ZINC000737202245 599105005 /nfs/dbraw/zinc/10/50/05/599105005.db2.gz YNWFBCPGFXNHBD-UHFFFAOYSA-N -1 1 398.471 1.686 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H](CC(C)(C)C)c2ccccc2)n(C)c1=O ZINC000737594783 599120889 /nfs/dbraw/zinc/12/08/89/599120889.db2.gz AFZDMPVZXCFFOF-ZDUSSCGKSA-N -1 1 383.456 1.854 20 0 GDADMM CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000735500048 599137857 /nfs/dbraw/zinc/13/78/57/599137857.db2.gz WPBXQTIQBVQKIT-NSHDSACASA-N -1 1 380.364 1.648 20 0 GDADMM CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000735500048 599137859 /nfs/dbraw/zinc/13/78/59/599137859.db2.gz WPBXQTIQBVQKIT-NSHDSACASA-N -1 1 380.364 1.648 20 0 GDADMM O=C(OCCOc1ccc2c(c1)CCC(=O)N2)c1ccc(-c2nnn[n-]2)nc1 ZINC000738302477 599139434 /nfs/dbraw/zinc/13/94/34/599139434.db2.gz KPHSIOUPWKHDFJ-UHFFFAOYSA-N -1 1 380.364 1.382 20 0 GDADMM O=C(OCCOc1ccc2c(c1)CCC(=O)N2)c1ccc(-c2nn[n-]n2)nc1 ZINC000738302477 599139436 /nfs/dbraw/zinc/13/94/36/599139436.db2.gz KPHSIOUPWKHDFJ-UHFFFAOYSA-N -1 1 380.364 1.382 20 0 GDADMM O=C(COC(=O)CCC1CC1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000737905915 599143269 /nfs/dbraw/zinc/14/32/69/599143269.db2.gz WXWHHTRQSHXTFR-UHFFFAOYSA-N -1 1 381.396 1.724 20 0 GDADMM O=C(COC(=O)CCC1CC1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737905915 599143270 /nfs/dbraw/zinc/14/32/70/599143270.db2.gz WXWHHTRQSHXTFR-UHFFFAOYSA-N -1 1 381.396 1.724 20 0 GDADMM O=c1c(-c2nn[n-]n2)cn(Cc2nc(CC(F)(F)F)no2)c2ccccc12 ZINC000738370298 599167442 /nfs/dbraw/zinc/16/74/42/599167442.db2.gz AUWGQCWLOKXASS-UHFFFAOYSA-N -1 1 377.286 1.718 20 0 GDADMM C[C@@H](NC(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1)C(N)=O ZINC000736123828 599194905 /nfs/dbraw/zinc/19/49/05/599194905.db2.gz QWGXIUPPBALZKH-SECBINFHSA-N -1 1 386.799 1.916 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CCOC[C@H]2c2ccco2)cc1-c1nn[n-]n1 ZINC000737185724 599214998 /nfs/dbraw/zinc/21/49/98/599214998.db2.gz BWZNDDFPUQOGFW-NSHDSACASA-N -1 1 388.409 1.496 20 0 GDADMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)/C=C/c1cccc(Br)c1 ZINC000739605586 596926351 /nfs/dbraw/zinc/92/63/51/596926351.db2.gz ARSOHVDPXRRRMQ-RMKNXTFCSA-N -1 1 391.287 1.698 20 0 GDADMM CN(C)S(=O)(=O)c1cccc(NC(=O)CN2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC000532712871 597069118 /nfs/dbraw/zinc/06/91/18/597069118.db2.gz ZKTBKVFRCYKEOC-ZDUSSCGKSA-N -1 1 383.470 1.062 20 0 GDADMM Cc1cc(C)c(NC(=O)CNC(=O)CN2CCC[C@@H](CC(=O)[O-])C2)c(C)c1 ZINC000533203583 597072199 /nfs/dbraw/zinc/07/21/99/597072199.db2.gz ZOUYFMFEEGNGHU-INIZCTEOSA-N -1 1 375.469 1.853 20 0 GDADMM CN1CCN(c2ncccc2CNC(=O)Nc2cccc(CC(=O)[O-])c2)CC1 ZINC000738023384 597184678 /nfs/dbraw/zinc/18/46/78/597184678.db2.gz XSSYJZRXCLHCTB-UHFFFAOYSA-N -1 1 383.452 1.782 20 0 GDADMM COc1ccc(NC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)nc1 ZINC000737103695 599252004 /nfs/dbraw/zinc/25/20/04/599252004.db2.gz SEONWTDNKOHBLF-UHFFFAOYSA-N -1 1 393.411 1.501 20 0 GDADMM COc1ccc(NC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)nc1 ZINC000737103695 599252005 /nfs/dbraw/zinc/25/20/05/599252005.db2.gz SEONWTDNKOHBLF-UHFFFAOYSA-N -1 1 393.411 1.501 20 0 GDADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)Nc1ccccc1CC(=O)[O-] ZINC000738148632 597269327 /nfs/dbraw/zinc/26/93/27/597269327.db2.gz CCBRFVWILKBEKB-UHFFFAOYSA-N -1 1 379.376 1.756 20 0 GDADMM COc1c(C)cnc(CN2CCC(N(C)C(=O)NCCC(=O)[O-])CC2)c1C ZINC000818552186 597297064 /nfs/dbraw/zinc/29/70/64/597297064.db2.gz DENDPFXXBDXLJT-UHFFFAOYSA-N -1 1 378.473 1.788 20 0 GDADMM COc1cccc([C@@H](CNC(=O)N2CCO[C@H](C(=O)[O-])C2)N2CCCC2)c1 ZINC000738092977 597413280 /nfs/dbraw/zinc/41/32/80/597413280.db2.gz UEEIVNMWRKNYLE-SJORKVTESA-N -1 1 377.441 1.327 20 0 GDADMM Cc1cc(N2CCC[C@H](N3CCN(CCCCC(=O)[O-])CC3)C2=O)n(C)n1 ZINC000820980811 597811715 /nfs/dbraw/zinc/81/17/15/597811715.db2.gz XGFLMLIVFWJWEO-INIZCTEOSA-N -1 1 377.489 1.096 20 0 GDADMM CCn1cc(-c2nn[n-]n2)c(=O)n(CCc2cccc(OC(F)(F)F)c2)c1=O ZINC000821565111 607326429 /nfs/dbraw/zinc/32/64/29/607326429.db2.gz DRJUFCRXBTXQOM-UHFFFAOYSA-N -1 1 396.329 1.351 20 0 GDADMM O=C([O-])c1ccccc1NC(=O)C(=O)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000821470284 598173678 /nfs/dbraw/zinc/17/36/78/598173678.db2.gz JBSQKRQHZPMWPA-CQSZACIVSA-N -1 1 375.425 1.037 20 0 GDADMM CC[C@H](C)[C@H](NCC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2)C(=O)[O-] ZINC000263092401 598187757 /nfs/dbraw/zinc/18/77/57/598187757.db2.gz IZHYQGYLKZWDGA-ZBEGNZNMSA-N -1 1 379.413 1.585 20 0 GDADMM C[C@H](c1ccc(F)c(F)c1)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736198701 598261943 /nfs/dbraw/zinc/26/19/43/598261943.db2.gz KFIKVRIRQVLEHV-SECBINFHSA-N -1 1 380.380 1.922 20 0 GDADMM C[C@H](c1ccc(F)c(F)c1)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736198701 598261945 /nfs/dbraw/zinc/26/19/45/598261945.db2.gz KFIKVRIRQVLEHV-SECBINFHSA-N -1 1 380.380 1.922 20 0 GDADMM CC(C)OC(=O)c1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735895564 598263716 /nfs/dbraw/zinc/26/37/16/598263716.db2.gz YCYWNASSNUKQJG-UHFFFAOYSA-N -1 1 389.393 1.595 20 0 GDADMM CC(C)OC(=O)c1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735895564 598263717 /nfs/dbraw/zinc/26/37/17/598263717.db2.gz YCYWNASSNUKQJG-UHFFFAOYSA-N -1 1 389.393 1.595 20 0 GDADMM CC(C)c1ccc(OCCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735928431 598265131 /nfs/dbraw/zinc/26/51/31/598265131.db2.gz MKPODHIGECBBDL-UHFFFAOYSA-N -1 1 388.453 1.742 20 0 GDADMM CC(C)c1ccc(OCCNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735928431 598265132 /nfs/dbraw/zinc/26/51/32/598265132.db2.gz MKPODHIGECBBDL-UHFFFAOYSA-N -1 1 388.453 1.742 20 0 GDADMM COc1ccc([C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1OC ZINC000737073303 598265619 /nfs/dbraw/zinc/26/56/19/598265619.db2.gz BEHLZQZHPJCFPX-JTQLQIEISA-N -1 1 390.425 1.318 20 0 GDADMM COc1ccc([C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1OC ZINC000737073303 598265621 /nfs/dbraw/zinc/26/56/21/598265621.db2.gz BEHLZQZHPJCFPX-JTQLQIEISA-N -1 1 390.425 1.318 20 0 GDADMM COC(=O)[C@@H](C)CNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000736892899 598299057 /nfs/dbraw/zinc/29/90/57/598299057.db2.gz PQXCWDJRTYJMOU-QMMMGPOBSA-N -1 1 376.442 1.400 20 0 GDADMM COC(=O)[C@H](C)CNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000736892896 598299313 /nfs/dbraw/zinc/29/93/13/598299313.db2.gz PQXCWDJRTYJMOU-MRVPVSSYSA-N -1 1 376.442 1.400 20 0 GDADMM O=S(=O)([N-]CCNc1ccc(-c2nn[nH]n2)cn1)c1cc(F)c(F)cc1F ZINC000738338077 598312550 /nfs/dbraw/zinc/31/25/50/598312550.db2.gz JWYHJXAPDLMDSU-UHFFFAOYSA-N -1 1 399.358 1.069 20 0 GDADMM O=C(CNc1nccnc1-c1nnn[n-]1)Nc1ccc(Br)cc1 ZINC000737901033 598345707 /nfs/dbraw/zinc/34/57/07/598345707.db2.gz QLQHQUJXPJBIAC-UHFFFAOYSA-N -1 1 375.190 1.470 20 0 GDADMM O=C(CNc1nccnc1-c1nn[n-]n1)Nc1ccc(Br)cc1 ZINC000737901033 598345708 /nfs/dbraw/zinc/34/57/08/598345708.db2.gz QLQHQUJXPJBIAC-UHFFFAOYSA-N -1 1 375.190 1.470 20 0 GDADMM Cc1ccc(C)n1C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000737331578 598355333 /nfs/dbraw/zinc/35/53/33/598355333.db2.gz PRVPXAVSSOMWSJ-UHFFFAOYSA-N -1 1 387.469 1.706 20 0 GDADMM Cc1ccc(C)n1C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000737331578 598355335 /nfs/dbraw/zinc/35/53/35/598355335.db2.gz PRVPXAVSSOMWSJ-UHFFFAOYSA-N -1 1 387.469 1.706 20 0 GDADMM CCc1nn(C[C@H](O)COc2ccccc2F)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706425 598374106 /nfs/dbraw/zinc/37/41/06/598374106.db2.gz WHCFFIYJJIDBNI-NSHDSACASA-N -1 1 388.403 1.127 20 0 GDADMM CCc1nn(C[C@@H](O)COc2ccccc2F)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706423 598374174 /nfs/dbraw/zinc/37/41/74/598374174.db2.gz WHCFFIYJJIDBNI-LLVKDONJSA-N -1 1 388.403 1.127 20 0 GDADMM CCc1nn(CC(=O)Nc2ccccc2Cl)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706033 598377663 /nfs/dbraw/zinc/37/76/63/598377663.db2.gz SEMHXGVBBLNUQL-UHFFFAOYSA-N -1 1 387.831 1.840 20 0 GDADMM CCc1nn(CC(=O)N(CC)C2CCCCC2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706639 598379684 /nfs/dbraw/zinc/37/96/84/598379684.db2.gz YKSWAEGKGBABTD-UHFFFAOYSA-N -1 1 387.488 1.729 20 0 GDADMM O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC000738162943 598387112 /nfs/dbraw/zinc/38/71/12/598387112.db2.gz IYLNXVKMXTZDFA-JTQLQIEISA-N -1 1 385.819 1.560 20 0 GDADMM O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC000738162943 598387114 /nfs/dbraw/zinc/38/71/14/598387114.db2.gz IYLNXVKMXTZDFA-JTQLQIEISA-N -1 1 385.819 1.560 20 0 GDADMM O=S(=O)(NCc1ccc(Br)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344247 598407176 /nfs/dbraw/zinc/40/71/76/598407176.db2.gz DCCLPEGWJKAVQH-UHFFFAOYSA-N -1 1 395.242 1.503 20 0 GDADMM O=S(=O)(NCc1ccc(Br)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738344247 598407178 /nfs/dbraw/zinc/40/71/78/598407178.db2.gz DCCLPEGWJKAVQH-UHFFFAOYSA-N -1 1 395.242 1.503 20 0 GDADMM CCC[C@H](C)C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000736421985 598407706 /nfs/dbraw/zinc/40/77/06/598407706.db2.gz DPEHPDNWCCKJNI-LBPRGKRZSA-N -1 1 383.412 1.970 20 0 GDADMM CCC[C@H](C)C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736421985 598407707 /nfs/dbraw/zinc/40/77/07/598407707.db2.gz DPEHPDNWCCKJNI-LBPRGKRZSA-N -1 1 383.412 1.970 20 0 GDADMM CCC/C=C/C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000736440349 598407777 /nfs/dbraw/zinc/40/77/77/598407777.db2.gz ZHNYWFYUYNUXCD-BJMVGYQFSA-N -1 1 381.396 1.890 20 0 GDADMM CCC/C=C/C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736440349 598407778 /nfs/dbraw/zinc/40/77/78/598407778.db2.gz ZHNYWFYUYNUXCD-BJMVGYQFSA-N -1 1 381.396 1.890 20 0 GDADMM Cc1nn(-c2ccccc2)c(CSCCS(C)(=O)=O)c1-c1nn[n-]n1 ZINC000737503836 598420424 /nfs/dbraw/zinc/42/04/24/598420424.db2.gz MHFSAVUHKBFFFJ-UHFFFAOYSA-N -1 1 378.483 1.639 20 0 GDADMM Cc1ccc(-n2nc(C(=O)n3ncc(-c4nn[n-]n4)c3N)c3c2CCC3)c(F)c1 ZINC000737305700 598430426 /nfs/dbraw/zinc/43/04/26/598430426.db2.gz JFAHKKINISDWNA-UHFFFAOYSA-N -1 1 393.386 1.456 20 0 GDADMM CCOc1cc(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)ccc1C ZINC000736625127 598476191 /nfs/dbraw/zinc/47/61/91/598476191.db2.gz JYAKWWYDVHNXPM-UHFFFAOYSA-N -1 1 385.432 1.633 20 0 GDADMM CCOc1cc(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)ccc1C ZINC000736625127 598476192 /nfs/dbraw/zinc/47/61/92/598476192.db2.gz JYAKWWYDVHNXPM-UHFFFAOYSA-N -1 1 385.432 1.633 20 0 GDADMM CN(C)S(=O)(=O)c1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000736770993 598575133 /nfs/dbraw/zinc/57/51/33/598575133.db2.gz WCCYVSOUZFAULP-UHFFFAOYSA-N -1 1 393.860 1.778 20 0 GDADMM CN(C)S(=O)(=O)c1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000736770993 598575134 /nfs/dbraw/zinc/57/51/34/598575134.db2.gz WCCYVSOUZFAULP-UHFFFAOYSA-N -1 1 393.860 1.778 20 0 GDADMM CCc1nn(CC(=O)N([C@H](C)C2CC2)C2CC2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705072 598643144 /nfs/dbraw/zinc/64/31/44/598643144.db2.gz CFQPSLIQASLHJZ-LLVKDONJSA-N -1 1 385.472 1.338 20 0 GDADMM CN(CCOc1ccccc1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736802280 598686962 /nfs/dbraw/zinc/68/69/62/598686962.db2.gz PMOBUAZBUCJBKH-UHFFFAOYSA-N -1 1 377.401 1.705 20 0 GDADMM COC(=O)CCN(CC(C)C)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736912615 598691877 /nfs/dbraw/zinc/69/18/77/598691877.db2.gz DUDYWTAWBYEULW-UHFFFAOYSA-N -1 1 385.421 1.216 20 0 GDADMM COC(=O)Nc1ccc(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000736939204 598692201 /nfs/dbraw/zinc/69/22/01/598692201.db2.gz ICZPBTTWBRHIQG-UHFFFAOYSA-N -1 1 393.356 1.952 20 0 GDADMM COCCN(CC(F)(F)F)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736994877 598693056 /nfs/dbraw/zinc/69/30/56/598693056.db2.gz MYNIEQHQCKPPEN-UHFFFAOYSA-N -1 1 383.327 1.205 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1C[C@H]2CCCN2c2ccccc21 ZINC000738353691 598710529 /nfs/dbraw/zinc/71/05/29/598710529.db2.gz FGHQURCLTCWASF-GFCCVEGCSA-N -1 1 383.437 1.439 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1C[C@H]2CCCN2c2ccccc21 ZINC000738353691 598710532 /nfs/dbraw/zinc/71/05/32/598710532.db2.gz FGHQURCLTCWASF-GFCCVEGCSA-N -1 1 383.437 1.439 20 0 GDADMM Cc1cnn([C@@H]2CCCN(S(=O)(=O)c3ccc(F)c(-c4nn[n-]n4)c3)C2)c1 ZINC000737446123 598711483 /nfs/dbraw/zinc/71/14/83/598711483.db2.gz WKRXZQBJRCZPFN-GFCCVEGCSA-N -1 1 391.432 1.537 20 0 GDADMM Cc1cc(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)n(C(C)(C)C)n1 ZINC000737273473 598728328 /nfs/dbraw/zinc/72/83/28/598728328.db2.gz BUUUFALCGUBMBB-UHFFFAOYSA-N -1 1 387.452 1.186 20 0 GDADMM Cc1cc(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)n(C(C)(C)C)n1 ZINC000737273473 598728329 /nfs/dbraw/zinc/72/83/29/598728329.db2.gz BUUUFALCGUBMBB-UHFFFAOYSA-N -1 1 387.452 1.186 20 0 GDADMM C[C@@H](Oc1ccccc1Br)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000736189177 598779239 /nfs/dbraw/zinc/77/92/39/598779239.db2.gz RNRCNUUBGOBNHT-SSDOTTSWSA-N -1 1 378.190 1.516 20 0 GDADMM Cc1cc(Oc2ncccc2-c2nn[n-]n2)ccc1NC(=O)C1(C(N)=O)CC1 ZINC000737280396 598808609 /nfs/dbraw/zinc/80/86/09/598808609.db2.gz ROKYFSMXHHSQAS-UHFFFAOYSA-N -1 1 379.380 1.566 20 0 GDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000737487387 598808945 /nfs/dbraw/zinc/80/89/45/598808945.db2.gz IEQJKLLHOIHGGZ-UHFFFAOYSA-N -1 1 392.423 1.433 20 0 GDADMM COc1cc(C2=NC(=Cc3ccc(-c4nnn[n-]4)o3)C(=O)O2)cc(OC)c1OC ZINC000821713205 599309231 /nfs/dbraw/zinc/30/92/31/599309231.db2.gz RJYNATPAOOQVCY-FLIBITNWSA-N -1 1 397.347 1.830 20 0 GDADMM COc1cc(C2=NC(=Cc3ccc(-c4nn[n-]n4)o3)C(=O)O2)cc(OC)c1OC ZINC000821713205 599309234 /nfs/dbraw/zinc/30/92/34/599309234.db2.gz RJYNATPAOOQVCY-FLIBITNWSA-N -1 1 397.347 1.830 20 0 GDADMM CCCC(=O)NC1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000821009495 599337517 /nfs/dbraw/zinc/33/75/17/599337517.db2.gz SXNCTVFKOGKBOY-UHFFFAOYSA-N -1 1 396.448 1.075 20 0 GDADMM CCCC(=O)NC1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000821009495 599337520 /nfs/dbraw/zinc/33/75/20/599337520.db2.gz SXNCTVFKOGKBOY-UHFFFAOYSA-N -1 1 396.448 1.075 20 0 GDADMM COCCCN(CCOC)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821687815 599340295 /nfs/dbraw/zinc/34/02/95/599340295.db2.gz PZUZXSILKHVDPM-UHFFFAOYSA-N -1 1 389.865 1.194 20 0 GDADMM CN(CCN(C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000821601547 599342402 /nfs/dbraw/zinc/34/24/02/599342402.db2.gz NCRONJCGXYFVHM-UHFFFAOYSA-N -1 1 390.444 1.763 20 0 GDADMM CN(CCN(C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000821601547 599342405 /nfs/dbraw/zinc/34/24/05/599342405.db2.gz NCRONJCGXYFVHM-UHFFFAOYSA-N -1 1 390.444 1.763 20 0 GDADMM C[C@@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)Oc1cccc(Cl)c1 ZINC000820276460 599362164 /nfs/dbraw/zinc/36/21/64/599362164.db2.gz XALAHMMUQODDGW-JTQLQIEISA-N -1 1 394.844 1.661 20 0 GDADMM C[C@@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)Oc1cccc(Cl)c1 ZINC000820276460 599362168 /nfs/dbraw/zinc/36/21/68/599362168.db2.gz XALAHMMUQODDGW-JTQLQIEISA-N -1 1 394.844 1.661 20 0 GDADMM CCN1C(=O)N[C@H](c2ccc(-c3nnn[n-]3)o2)C(C(=O)OCCOC)=C1C ZINC000821240842 599492946 /nfs/dbraw/zinc/49/29/46/599492946.db2.gz JKVLSGRPMCTJHT-CYBMUJFWSA-N -1 1 376.373 1.010 20 0 GDADMM CCN1C(=O)N[C@H](c2ccc(-c3nn[n-]n3)o2)C(C(=O)OCCOC)=C1C ZINC000821240842 599492947 /nfs/dbraw/zinc/49/29/47/599492947.db2.gz JKVLSGRPMCTJHT-CYBMUJFWSA-N -1 1 376.373 1.010 20 0 GDADMM CCc1ccc(CN2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)s1 ZINC000736692571 599573075 /nfs/dbraw/zinc/57/30/75/599573075.db2.gz RNPJNPRLARCKEY-UHFFFAOYSA-N -1 1 383.481 1.844 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCc1ccn(C(C)C)n1 ZINC000737201436 599575537 /nfs/dbraw/zinc/57/55/37/599575537.db2.gz SBGJNRQFBPUFSH-UHFFFAOYSA-N -1 1 384.444 1.611 20 0 GDADMM CO[C@@]1(C)C[C@H](NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C1(C)C ZINC000821678008 599655226 /nfs/dbraw/zinc/65/52/26/599655226.db2.gz IAIWWNLCTLWAHR-DJJJIMSYSA-N -1 1 388.472 1.837 20 0 GDADMM Cc1nc(C)c(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)o1 ZINC000822427223 599696840 /nfs/dbraw/zinc/69/68/40/599696840.db2.gz FPYNLLGLAZCNCV-UHFFFAOYSA-N -1 1 384.400 1.299 20 0 GDADMM CCCC[C@@H](C(=O)[O-])N1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000569493292 599705763 /nfs/dbraw/zinc/70/57/63/599705763.db2.gz XDAQUEKYJCQKCH-ZDUSSCGKSA-N -1 1 398.510 1.641 20 0 GDADMM O=C([O-])NCCC(=O)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1 ZINC000739948101 599726794 /nfs/dbraw/zinc/72/67/94/599726794.db2.gz PNZJZBROVAHIFN-UHFFFAOYSA-N -1 1 383.452 2.000 20 0 GDADMM COc1cc(C(=O)[O-])ccc1OC[C@H](O)CN1CCC[C@@H](NC(=O)C(C)C)C1 ZINC000737867704 599752440 /nfs/dbraw/zinc/75/24/40/599752440.db2.gz PYEOHXCPIAYRSI-HZPDHXFCSA-N -1 1 394.468 1.370 20 0 GDADMM COc1cc(C(=O)[O-])ccc1OC[C@@H](O)CN1CCCC[C@@H]1C1OCCO1 ZINC000737863266 599814078 /nfs/dbraw/zinc/81/40/78/599814078.db2.gz MZNGRWFEQTUAHF-LSDHHAIUSA-N -1 1 381.425 1.361 20 0 GDADMM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CCNC(=O)c1n[nH]c2ccccc21 ZINC000262465810 599835859 /nfs/dbraw/zinc/83/58/59/599835859.db2.gz WIXHYGJNBIRPCG-MAZHCROVSA-N -1 1 384.436 1.927 20 0 GDADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)OCc1ccc(C(=O)[O-])cc1 ZINC000738230924 599861272 /nfs/dbraw/zinc/86/12/72/599861272.db2.gz UJXVLVISTRTTOD-UHFFFAOYSA-N -1 1 380.360 1.932 20 0 GDADMM COC(=O)C[C@H]1CCCN1C(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000821659254 607405014 /nfs/dbraw/zinc/40/50/14/607405014.db2.gz XKLYKXXYOUCUQP-GFCCVEGCSA-N -1 1 384.396 1.727 20 0 GDADMM COC(=O)C[C@H]1CCCN1C(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000821659254 607405015 /nfs/dbraw/zinc/40/50/15/607405015.db2.gz XKLYKXXYOUCUQP-GFCCVEGCSA-N -1 1 384.396 1.727 20 0 GDADMM Cc1ccc(N2CCC[C@@H](N(C)CC(=O)N[C@H](CC(C)C)C(=O)[O-])C2)nn1 ZINC000738614327 599957110 /nfs/dbraw/zinc/95/71/10/599957110.db2.gz KFUSVPXQLLFRIU-HZPDHXFCSA-N -1 1 377.489 1.301 20 0 GDADMM Cc1ccnc(NC[C@H]2CCN(c3ccc(S(N)(=O)=O)cc3C(=O)[O-])C2)c1 ZINC000738797552 599959630 /nfs/dbraw/zinc/95/96/30/599959630.db2.gz CLYXDPCJVYUSOX-CYBMUJFWSA-N -1 1 390.465 1.674 20 0 GDADMM C[C@H](O)CN1CCN(CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)C[C@H]1C ZINC000736677746 599959760 /nfs/dbraw/zinc/95/97/60/599959760.db2.gz PANMMRVRRUFGSN-OLZOCXBDSA-N -1 1 395.525 1.651 20 0 GDADMM CC[C@H]1CN(CC(=O)NCc2ccc(NC(=O)[O-])cc2)CC[N@H+]1CCOC ZINC000736944792 599960466 /nfs/dbraw/zinc/96/04/66/599960466.db2.gz UONBJGIMIONHBF-KRWDZBQOSA-N -1 1 378.473 1.435 20 0 GDADMM CC[C@H]1CN(CC(=O)NCc2ccc(NC(=O)[O-])cc2)CCN1CCOC ZINC000736944792 599960468 /nfs/dbraw/zinc/96/04/68/599960468.db2.gz UONBJGIMIONHBF-KRWDZBQOSA-N -1 1 378.473 1.435 20 0 GDADMM CC[C@@H]1CN(Cc2nc(=O)c3c(C)c(C(=O)[O-])sc3[nH]2)CCN1C[C@H](C)O ZINC000736942406 599960621 /nfs/dbraw/zinc/96/06/21/599960621.db2.gz BIIOFNMHIKMLME-CMPLNLGQSA-N -1 1 394.497 1.268 20 0 GDADMM NC(=O)C[C@@H]1CCCCN1CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000739158524 600030933 /nfs/dbraw/zinc/03/09/33/600030933.db2.gz BQLWXUXFTUJKTE-YOEHRIQHSA-N -1 1 386.452 1.010 20 0 GDADMM C[C@@H](CN1CCN(C)CC1)NC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000736587373 600032052 /nfs/dbraw/zinc/03/20/52/600032052.db2.gz XPFVAXRUHOXYPE-AWEZNQCLSA-N -1 1 399.495 1.570 20 0 GDADMM O=C([O-])CSCc1cccc(NC(=O)C(=O)NCCN2CCCCC2)c1 ZINC000739868255 600043326 /nfs/dbraw/zinc/04/33/26/600043326.db2.gz OXLYFTQSMPVYAV-UHFFFAOYSA-N -1 1 379.482 1.545 20 0 GDADMM Cc1ccc(NC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)c(C(=O)[O-])c1 ZINC000738621294 600073226 /nfs/dbraw/zinc/07/32/26/600073226.db2.gz BCXORDDKPPLMBK-UHFFFAOYSA-N -1 1 379.372 1.903 20 0 GDADMM CS(=O)(=O)Nc1ccc(F)cc1C(=O)OCC(=O)c1cc(C(=O)[O-])co1 ZINC000738164504 600140977 /nfs/dbraw/zinc/14/09/77/600140977.db2.gz SHKUKOQZUBOJDP-UHFFFAOYSA-N -1 1 385.325 1.528 20 0 GDADMM Cc1ccc([C@@H](OC[C@H](O)CN2C[C@H](O)C[C@H]2C(=O)[O-])c2ccccc2)cc1 ZINC000738572895 600230712 /nfs/dbraw/zinc/23/07/12/600230712.db2.gz HSHHJRALJHTSQE-CGXNFDGLSA-N -1 1 385.460 1.982 20 0 GDADMM O=C([O-])c1cccc(CS(=O)(=O)NC2CCN(C[C@@H]3CCCO3)CC2)c1 ZINC000740226171 600235541 /nfs/dbraw/zinc/23/55/41/600235541.db2.gz BGVSHUCNWUZENJ-KRWDZBQOSA-N -1 1 382.482 1.448 20 0 GDADMM C[C@@H]1CN(CCCNC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)C[C@@H](C)O1 ZINC000736812279 600300767 /nfs/dbraw/zinc/30/07/67/600300767.db2.gz VLMTYSXWDJTUTN-VXGBXAGGSA-N -1 1 381.404 1.078 20 0 GDADMM CCN(CC(=O)NCc1cccs1)C(=O)CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000737069557 600304421 /nfs/dbraw/zinc/30/44/21/600304421.db2.gz JQBFHGQIGUONSE-OAHLLOKOSA-N -1 1 393.509 1.400 20 0 GDADMM COC(=O)[C@@H]1CC12CCN(CC(=O)NCc1ccc(NC(=O)[O-])cc1)CC2 ZINC000737577690 600306270 /nfs/dbraw/zinc/30/62/70/600306270.db2.gz AWCHASGZCXEBKQ-HNNXBMFYSA-N -1 1 375.425 1.668 20 0 GDADMM CCC[C@@](C)(NCC(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1)C(=O)[O-] ZINC000736960740 600323044 /nfs/dbraw/zinc/32/30/44/600323044.db2.gz PURHRSFEAZAIDM-HXUWFJFHSA-N -1 1 391.516 1.790 20 0 GDADMM O=C([O-])CCN(CCn1nc2ccccn2c1=O)Cc1ccc(F)c(F)c1 ZINC000739725086 600327213 /nfs/dbraw/zinc/32/72/13/600327213.db2.gz SFJVIKWCIVEZEG-UHFFFAOYSA-N -1 1 376.363 1.751 20 0 GDADMM CC(C)N1CCO[C@H](CN2CCN(C(=O)Nc3ccc(C(=O)[O-])cc3)CC2)C1 ZINC000736474335 600335386 /nfs/dbraw/zinc/33/53/86/600335386.db2.gz LNVWOKFVUDVWKB-GOSISDBHSA-N -1 1 390.484 1.644 20 0 GDADMM CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN(C)C[C@H](C)C(=O)[O-] ZINC000580440887 600370491 /nfs/dbraw/zinc/37/04/91/600370491.db2.gz UZOZBGCQJNHOTP-LBPRGKRZSA-N -1 1 382.486 1.459 20 0 GDADMM CCn1nnnc1-c1cccc(NS(=O)(=O)c2ccsc2C(=O)[O-])c1 ZINC000737312982 600395711 /nfs/dbraw/zinc/39/57/11/600395711.db2.gz ZCKVBFPPQPQTKB-UHFFFAOYSA-N -1 1 379.423 1.921 20 0 GDADMM Cc1cc(N[C@H](C)CN2CCN(c3ccccn3)CC2)n2nc(C(=O)[O-])nc2n1 ZINC000738453075 600396995 /nfs/dbraw/zinc/39/69/95/600396995.db2.gz VUUSXBRQWXLQIF-CQSZACIVSA-N -1 1 396.455 1.149 20 0 GDADMM CSc1nc(C)c(CCC(=O)N(C)c2ccc(-c3nn[nH]n3)cc2)c(=O)[n-]1 ZINC000826231364 607441178 /nfs/dbraw/zinc/44/11/78/607441178.db2.gz INPAIXJCUVEGHT-UHFFFAOYSA-N -1 1 385.453 1.988 20 0 GDADMM CCN1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C1 ZINC000737116536 600416073 /nfs/dbraw/zinc/41/60/73/600416073.db2.gz WDVFMUDYXBFTQW-LLVKDONJSA-N -1 1 385.367 1.525 20 0 GDADMM COCCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000737814572 600470798 /nfs/dbraw/zinc/47/07/98/600470798.db2.gz WGYQNJSBKCWFNM-GFCCVEGCSA-N -1 1 382.392 1.081 20 0 GDADMM CN1CCN(C(C)(C)CNC(=O)NCCc2ccc(NC(=O)[O-])cc2)CC1 ZINC000737516293 600487522 /nfs/dbraw/zinc/48/75/22/600487522.db2.gz UKDPYLHSJHIHSL-UHFFFAOYSA-N -1 1 377.489 1.644 20 0 GDADMM Cc1ccc(NC(=O)NC(=O)CN(CCC(=O)[O-])C[C@@H]2CCCO2)cc1C ZINC000738625609 600516303 /nfs/dbraw/zinc/51/63/03/600516303.db2.gz TVSYISALTJWUNS-INIZCTEOSA-N -1 1 377.441 1.907 20 0 GDADMM COc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccccn2)cc1C(=O)[O-] ZINC000738069973 600544532 /nfs/dbraw/zinc/54/45/32/600544532.db2.gz UKYDRPJYGNGYPG-UHFFFAOYSA-N -1 1 388.405 1.834 20 0 GDADMM O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)cc2)[n-]1 ZINC000739873554 600551511 /nfs/dbraw/zinc/55/15/11/600551511.db2.gz FRRQNRXDAZUQQW-HNNXBMFYSA-N -1 1 398.463 1.351 20 0 GDADMM CN(CCCN1CCN(C)CC1)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000737526524 600578626 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/nfs/dbraw/zinc/36/08/73/602360873.db2.gz GIQBNQBWRXLTCG-QGZVFWFLSA-N -1 1 385.468 1.834 20 0 GDADMM CN(C[C@@H]1CCCN(CC(=O)NCCOc2ccc3c(c2)OCO3)C1)C(=O)[O-] ZINC000739636281 602399020 /nfs/dbraw/zinc/39/90/20/602399020.db2.gz IWPYAVFPFBEUEF-AWEZNQCLSA-N -1 1 393.440 1.232 20 0 GDADMM C[C@@H]1CN(CCCNC(=O)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)C[C@H](C)O1 ZINC000828448253 602402638 /nfs/dbraw/zinc/40/26/38/602402638.db2.gz CFCYUMSWUJJZTO-TXEJJXNPSA-N -1 1 381.404 1.078 20 0 GDADMM CC(C)N(CCC(=O)N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1)C(=O)[O-] ZINC000738853128 602420027 /nfs/dbraw/zinc/42/00/27/602420027.db2.gz FGHRVHWRTTZBDB-QGZVFWFLSA-N -1 1 384.521 1.018 20 0 GDADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N1CCCC[C@H]1CNC(=O)[O-] ZINC000740028034 602450284 /nfs/dbraw/zinc/45/02/84/602450284.db2.gz BIWJQGZXHKHOCO-LBPRGKRZSA-N -1 1 386.412 1.139 20 0 GDADMM CN1CCN(C[C@H]2CN(C(=O)c3ccc(F)c(NC(=O)[O-])c3)CCO2)CC1 ZINC000739736962 602515156 /nfs/dbraw/zinc/51/51/56/602515156.db2.gz KKFSRUIVTZQTPF-AWEZNQCLSA-N -1 1 380.420 1.004 20 0 GDADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000740028554 602573306 /nfs/dbraw/zinc/57/33/06/602573306.db2.gz SMSLWQJOXIWRSJ-LBPRGKRZSA-N -1 1 386.412 1.091 20 0 GDADMM O=C([O-])N1CC[C@H](NC(=O)NCCCN2CCN(c3ccccc3)CC2)C1 ZINC000740428749 602584257 /nfs/dbraw/zinc/58/42/57/602584257.db2.gz PEFSHJSSRNPLTL-INIZCTEOSA-N -1 1 375.473 1.250 20 0 GDADMM CN1CCN(C(C)(C)CNC(=O)Nc2ccc3c(c2)CN(C(=O)[O-])CC3)CC1 ZINC000739736241 602608583 /nfs/dbraw/zinc/60/85/83/602608583.db2.gz XZDWQEHUXKCJHE-UHFFFAOYSA-N -1 1 389.500 1.870 20 0 GDADMM CN(C)[C@@H](CNC(=O)N(C)CCN1CCN(C(=O)[O-])CC1)c1cccs1 ZINC000739683187 602608794 /nfs/dbraw/zinc/60/87/94/602608794.db2.gz FRFYMQPITHAEHZ-AWEZNQCLSA-N -1 1 383.518 1.288 20 0 GDADMM CN(C)[C@@H](CNC(=O)N(C)CCN1CCN(C(=O)[O-])CC1)c1ccsc1 ZINC000739682687 602615637 /nfs/dbraw/zinc/61/56/37/602615637.db2.gz CNZBROKAZGXLOF-HNNXBMFYSA-N -1 1 383.518 1.288 20 0 GDADMM O=c1ccc2ccc(OS(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)cc2o1 ZINC000826502212 607576304 /nfs/dbraw/zinc/57/63/04/607576304.db2.gz ZEQKSQYEZLJVRF-UHFFFAOYSA-N -1 1 388.336 1.880 20 0 GDADMM O=c1ccc2ccc(OS(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)cc2o1 ZINC000826502212 607576306 /nfs/dbraw/zinc/57/63/06/607576306.db2.gz ZEQKSQYEZLJVRF-UHFFFAOYSA-N -1 1 388.336 1.880 20 0 GDADMM C[C@H](NC(=O)N[C@H]1CCN(C(=O)[O-])C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000738976006 602626363 /nfs/dbraw/zinc/62/63/63/602626363.db2.gz KRGCOXBVKXODNY-ZFWWWQNUSA-N -1 1 393.463 1.690 20 0 GDADMM NC(=O)c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000826393437 607579340 /nfs/dbraw/zinc/57/93/40/607579340.db2.gz RXMCDKFEPIKBTB-UHFFFAOYSA-N -1 1 392.828 1.098 20 0 GDADMM O=S(=O)(Oc1ccc2c(c1)OCCO2)c1cccc(F)c1-c1nnn[n-]1 ZINC000826493458 607581168 /nfs/dbraw/zinc/58/11/68/607581168.db2.gz LOMQVUVXDUWNPZ-UHFFFAOYSA-N -1 1 378.341 1.545 20 0 GDADMM O=S(=O)(Oc1ccc2c(c1)OCCO2)c1cccc(F)c1-c1nn[n-]n1 ZINC000826493458 607581169 /nfs/dbraw/zinc/58/11/69/607581169.db2.gz LOMQVUVXDUWNPZ-UHFFFAOYSA-N -1 1 378.341 1.545 20 0 GDADMM COC(=O)C1(NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCCCC1 ZINC000826124969 607581656 /nfs/dbraw/zinc/58/16/56/607581656.db2.gz YZFRHDFKDAKRJR-UHFFFAOYSA-N -1 1 383.405 1.160 20 0 GDADMM COC(=O)C1(NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCCCC1 ZINC000826124969 607581657 /nfs/dbraw/zinc/58/16/57/607581657.db2.gz YZFRHDFKDAKRJR-UHFFFAOYSA-N -1 1 383.405 1.160 20 0 GDADMM CCCN(C(=O)CCNC(=O)c1n[nH]c2ccccc21)[C@H]1CCN(C(=O)[O-])C1 ZINC000739346279 602712552 /nfs/dbraw/zinc/71/25/52/602712552.db2.gz VMRHEZRFIDPZCL-ZDUSSCGKSA-N -1 1 387.440 1.674 20 0 GDADMM O=S(=O)(NC[C@@H]1CC1(Cl)Cl)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826489883 607584675 /nfs/dbraw/zinc/58/46/75/607584675.db2.gz CLAPAPQKJOVPQY-LURJTMIESA-N -1 1 382.660 1.992 20 0 GDADMM O=S(=O)(NC[C@@H]1CC1(Cl)Cl)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826489883 607584676 /nfs/dbraw/zinc/58/46/76/607584676.db2.gz CLAPAPQKJOVPQY-LURJTMIESA-N -1 1 382.660 1.992 20 0 GDADMM Cc1cccc(S(=O)(=O)Oc2cccc(C(=O)NC3CC3)c2)c1-c1nn[n-]n1 ZINC000826304468 607592851 /nfs/dbraw/zinc/59/28/51/607592851.db2.gz LVXWGWNMEPSYBS-UHFFFAOYSA-N -1 1 399.432 1.835 20 0 GDADMM CC1(C)COCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824811745 607593218 /nfs/dbraw/zinc/59/32/18/607593218.db2.gz BAZXJYWUZPHRJG-UHFFFAOYSA-N -1 1 391.375 1.685 20 0 GDADMM O=C([O-])N1CCN(c2ccc(NS(=O)(=O)c3cccc(F)c3)nc2)CC1 ZINC000740526708 602950788 /nfs/dbraw/zinc/95/07/88/602950788.db2.gz IKURHYWWGAKVJR-UHFFFAOYSA-N -1 1 380.401 1.822 20 0 GDADMM O=C([O-])N1CCCC[C@@H](NC(=O)NCC2(N3CCOCC3)CCCCC2)C1 ZINC000740405487 602956448 /nfs/dbraw/zinc/95/64/48/602956448.db2.gz HZNIOWHGDMYVSG-MRXNPFEDSA-N -1 1 382.505 1.853 20 0 GDADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N[C@@H]1CCC[C@H]1CNC(=O)[O-] ZINC000740028133 602976481 /nfs/dbraw/zinc/97/64/81/602976481.db2.gz GUEYDQWTKPBKLN-WCQYABFASA-N -1 1 386.412 1.043 20 0 GDADMM C[C@H](CN(C)C(=O)[O-])c1noc(CNC(=O)c2c[nH]c3ccccc3c2=O)n1 ZINC000738912412 603020680 /nfs/dbraw/zinc/02/06/80/603020680.db2.gz KJSGKMJIFGOYFH-SNVBAGLBSA-N -1 1 385.380 1.554 20 0 GDADMM C[C@@H]1C[C@H](c2ccccc2)CN1CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O ZINC000739083787 603048366 /nfs/dbraw/zinc/04/83/66/603048366.db2.gz PNFZBGQEWWRBGK-ZBFHGGJFSA-N -1 1 386.452 1.886 20 0 GDADMM CCN(CC)[C@H](CNC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1)c1ccco1 ZINC000739407790 603124142 /nfs/dbraw/zinc/12/41/42/603124142.db2.gz LSNZCHHNPMCTQV-OAHLLOKOSA-N -1 1 380.489 1.853 20 0 GDADMM C[C@@H]1CN(C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)CC[C@H]1NC(=O)[O-] ZINC000739150539 603126790 /nfs/dbraw/zinc/12/67/90/603126790.db2.gz WZUOJGBUJNBXLG-ZWNOBZJWSA-N -1 1 376.392 1.798 20 0 GDADMM C[C@@H]1CN(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)CC[C@H]1NC(=O)[O-] ZINC000739150539 603126791 /nfs/dbraw/zinc/12/67/91/603126791.db2.gz WZUOJGBUJNBXLG-ZWNOBZJWSA-N -1 1 376.392 1.798 20 0 GDADMM CN(C(=O)[O-])C1CCN(C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)CC1 ZINC000737928166 603126985 /nfs/dbraw/zinc/12/69/85/603126985.db2.gz CBVXOXSNGJXJCG-UHFFFAOYSA-N -1 1 376.392 1.895 20 0 GDADMM CN(C(=O)[O-])C1CCN(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)CC1 ZINC000737928166 603126988 /nfs/dbraw/zinc/12/69/88/603126988.db2.gz CBVXOXSNGJXJCG-UHFFFAOYSA-N -1 1 376.392 1.895 20 0 GDADMM COc1ccc(-c2n[nH]c(CNC(=O)N3CC[C@@H](NC(=O)[O-])[C@@H](C)C3)n2)cc1 ZINC000739880060 603127590 /nfs/dbraw/zinc/12/75/90/603127590.db2.gz RGDIZJHGJNRPDJ-SMDDNHRTSA-N -1 1 388.428 1.668 20 0 GDADMM COc1ccc(-c2nc(CNC(=O)N3CC[C@@H](NC(=O)[O-])[C@@H](C)C3)n[nH]2)cc1 ZINC000739880060 603127592 /nfs/dbraw/zinc/12/75/92/603127592.db2.gz RGDIZJHGJNRPDJ-SMDDNHRTSA-N -1 1 388.428 1.668 20 0 GDADMM CCN(CC)C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825399137 607612619 /nfs/dbraw/zinc/61/26/19/607612619.db2.gz KGTDOINTOONZKF-GFCCVEGCSA-N -1 1 396.448 1.027 20 0 GDADMM CCN(CC)C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825399137 607612621 /nfs/dbraw/zinc/61/26/21/607612621.db2.gz KGTDOINTOONZKF-GFCCVEGCSA-N -1 1 396.448 1.027 20 0 GDADMM O=C([O-])N1[C@H](C(=O)N2CCN(CC3CCOCC3)CC2)C[C@H]2CCCC[C@@H]21 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GZSOXMXQXRQMGL-UHFFFAOYSA-N -1 1 379.380 1.887 20 0 GDADMM Cn1ncnc1COc1ccc(S(=O)(=O)Nc2cnccc2C(=O)[O-])cc1 ZINC000833759687 604874131 /nfs/dbraw/zinc/87/41/31/604874131.db2.gz QRQOTGPANBZHRM-UHFFFAOYSA-N -1 1 389.393 1.288 20 0 GDADMM COc1ccc(S(=O)(=O)NCCN2CCCC[C@H]2C)c(OC)c1C(=O)[O-] ZINC000833734113 604877426 /nfs/dbraw/zinc/87/74/26/604877426.db2.gz HGWHGSRIBGJCAY-GFCCVEGCSA-N -1 1 386.470 1.555 20 0 GDADMM O=C(C[C@@H]1CN(C(=O)[O-])CCO1)NCC1(CN2CCOCC2)CCCCC1 ZINC000831380881 604891543 /nfs/dbraw/zinc/89/15/43/604891543.db2.gz HQLBOPFUJVSETM-MRXNPFEDSA-N -1 1 383.489 1.154 20 0 GDADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)C1CCN(C(=O)C=Cc2ccccc2)CC1 ZINC000833767414 604898156 /nfs/dbraw/zinc/89/81/56/604898156.db2.gz DSUOPRRZVZLLBL-MJRGOJFPSA-N -1 1 396.447 1.474 20 0 GDADMM CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3cncc(C(=O)[O-])c3)cc21 ZINC000833393507 604911176 /nfs/dbraw/zinc/91/11/76/604911176.db2.gz LXWOVJOZMVYHDR-UHFFFAOYSA-N -1 1 375.406 1.880 20 0 GDADMM O=C([O-])COc1ccc(NC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)cc1Cl ZINC000833255367 604924165 /nfs/dbraw/zinc/92/41/65/604924165.db2.gz IPHUCJNMUAQMDY-GJZGRUSLSA-N -1 1 397.859 1.866 20 0 GDADMM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)CCN2CCN(c3ccccn3)CC2)C1 ZINC000833415379 604994216 /nfs/dbraw/zinc/99/42/16/604994216.db2.gz LWSHFNGNXXUXSQ-KRWDZBQOSA-N -1 1 388.512 1.943 20 0 GDADMM CC[C@H]1CN(C(=O)Nc2cc(C(=O)[O-])cc(OC)c2OC)CCN1C[C@H](C)O ZINC000833649814 605024693 /nfs/dbraw/zinc/02/46/93/605024693.db2.gz VRTCQLQGPADJRE-JSGCOSHPSA-N -1 1 395.456 1.711 20 0 GDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCN1CCc2sccc2C1 ZINC000833624963 605046167 /nfs/dbraw/zinc/04/61/67/605046167.db2.gz MGJXSRZMWJRKHZ-AWEZNQCLSA-N -1 1 380.514 1.297 20 0 GDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCN(C(=O)OC(C)(C)C)C1CC1 ZINC000833623592 605050311 /nfs/dbraw/zinc/05/03/11/605050311.db2.gz IPSDYOOJQORZOS-CQSZACIVSA-N -1 1 398.504 1.576 20 0 GDADMM COc1ccc(S(=O)(=O)Nc2cc(C(=O)N(C)C)ccn2)cc1C(=O)[O-] ZINC000833734533 605053411 /nfs/dbraw/zinc/05/34/11/605053411.db2.gz LFWXWJWQFTZHBD-UHFFFAOYSA-N -1 1 379.394 1.291 20 0 GDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCC[C@H]1COc2ccccc2O1 ZINC000833621404 605056155 /nfs/dbraw/zinc/05/61/55/605056155.db2.gz BNJPUPGAVACNAB-GJZGRUSLSA-N -1 1 377.441 1.407 20 0 GDADMM C[C@H](C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000833410546 605057501 /nfs/dbraw/zinc/05/75/01/605057501.db2.gz CUBDCTDKDGFELK-VWYCJHECSA-N -1 1 384.392 1.763 20 0 GDADMM O=C([O-])c1occc1CNCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000833785122 605088080 /nfs/dbraw/zinc/08/80/80/605088080.db2.gz DYUCMCAPZLDNRN-OAHLLOKOSA-N -1 1 394.449 1.725 20 0 GDADMM CN(CC(=O)NCc1ccc(NC(=O)[O-])cc1)CC(C)(C)CN1CCOCC1 ZINC000833692376 605089671 /nfs/dbraw/zinc/08/96/71/605089671.db2.gz NZQYTDCCGQACKK-UHFFFAOYSA-N -1 1 392.500 1.683 20 0 GDADMM CC(=O)CCc1ccc(O[C@@H](C)C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)cc1 ZINC000833388674 605106937 /nfs/dbraw/zinc/10/69/37/605106937.db2.gz UVMMYPFTCKQAHX-RDJZCZTQSA-N -1 1 390.480 1.983 20 0 GDADMM CC(=O)N(CCC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)Cc1ccccc1 ZINC000833389325 605110439 /nfs/dbraw/zinc/11/04/39/605110439.db2.gz KVWKNUYKUGQKGX-INIZCTEOSA-N -1 1 375.469 1.433 20 0 GDADMM CC(=O)N(CCC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)Cc1ccccc1 ZINC000833389326 605110896 /nfs/dbraw/zinc/11/08/96/605110896.db2.gz KVWKNUYKUGQKGX-MRXNPFEDSA-N -1 1 375.469 1.433 20 0 GDADMM CC(C)C[C@@H](NC(=O)CN[C@@H](C)c1cccc(N2CCOC2=O)c1)C(=O)[O-] ZINC000833483236 605119059 /nfs/dbraw/zinc/11/90/59/605119059.db2.gz WNPICDCAAZTUDY-XJKSGUPXSA-N -1 1 377.441 1.909 20 0 GDADMM CC(C)C[C@@H](NC(=O)CN[C@H](C)c1ccc(N2CCOC2=O)cc1)C(=O)[O-] ZINC000833479347 605119233 /nfs/dbraw/zinc/11/92/33/605119233.db2.gz YZJKJBLGHHRRFN-CZUORRHYSA-N -1 1 377.441 1.909 20 0 GDADMM CC(=O)N1CCCN([C@H]2CN(C(=O)Nc3ccccc3C(=O)[O-])C[C@@H]2C)CC1 ZINC000833393645 605123546 /nfs/dbraw/zinc/12/35/46/605123546.db2.gz NWOJCXQODZJLGP-KSSFIOAISA-N -1 1 388.468 1.791 20 0 GDADMM COC(=O)c1cc(NC(=O)[C@@H](C)N[C@H](CO)c2ccccc2)cc(C(=O)[O-])c1 ZINC000833712747 605132974 /nfs/dbraw/zinc/13/29/74/605132974.db2.gz JAGHHLWRALKOPB-SJKOYZFVSA-N -1 1 386.404 1.822 20 0 GDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C1(OCc2ccccc2)CCOCC1 ZINC000833618307 605155239 /nfs/dbraw/zinc/15/52/39/605155239.db2.gz AJALKDQHZZOEPX-QGZVFWFLSA-N -1 1 390.480 1.760 20 0 GDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000833620595 605158218 /nfs/dbraw/zinc/15/82/18/605158218.db2.gz LKBCDUOWCHOZRA-AZOIQLNYSA-N -1 1 391.443 1.353 20 0 GDADMM Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3CCN(CCC(=O)[O-])C[C@H]3C)c12 ZINC000833756616 605167481 /nfs/dbraw/zinc/16/74/81/605167481.db2.gz MYYNRQMMJSILBN-GFCCVEGCSA-N -1 1 385.468 1.775 20 0 GDADMM CC(C)(C)OC(=O)N1CCC2(CCN(CN3C[C@@H](C(=O)[O-])CC3=O)C2)CC1 ZINC000833437653 605177523 /nfs/dbraw/zinc/17/75/23/605177523.db2.gz UXHYHYIRPFGFMC-AWEZNQCLSA-N -1 1 381.473 1.600 20 0 GDADMM CS(=O)(=O)Nc1ccccc1C(=O)OCCOc1ccccc1C(=O)[O-] ZINC000833737744 605180843 /nfs/dbraw/zinc/18/08/43/605180843.db2.gz KYMLHUVAACJKEP-UHFFFAOYSA-N -1 1 379.390 1.992 20 0 GDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000833618320 605205253 /nfs/dbraw/zinc/20/52/53/605205253.db2.gz APJNHVKZWLQFGS-CZUORRHYSA-N -1 1 377.416 1.186 20 0 GDADMM CC(C)CNC(=O)NC(=O)CN[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833488439 605220160 /nfs/dbraw/zinc/22/01/60/605220160.db2.gz GTCGPXWWRYOHIH-HXUWFJFHSA-N -1 1 390.484 1.177 20 0 GDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000833628189 605245235 /nfs/dbraw/zinc/24/52/35/605245235.db2.gz CTVYDWQLLNGNQV-MRXNPFEDSA-N -1 1 389.500 1.491 20 0 GDADMM CCOC(=O)CC[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000825505964 607744311 /nfs/dbraw/zinc/74/43/11/607744311.db2.gz AIYQBRSHXPBPIA-GFCCVEGCSA-N -1 1 394.457 1.006 20 0 GDADMM CCOC(=O)CC[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000825505964 607744312 /nfs/dbraw/zinc/74/43/12/607744312.db2.gz AIYQBRSHXPBPIA-GFCCVEGCSA-N -1 1 394.457 1.006 20 0 GDADMM C[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)CCN1CCC(=O)[O-] ZINC000833620894 605278981 /nfs/dbraw/zinc/27/89/81/605278981.db2.gz YLPUQKZTJWSFDG-RYUDHWBXSA-N -1 1 395.378 1.157 20 0 GDADMM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000833547553 605295998 /nfs/dbraw/zinc/29/59/98/605295998.db2.gz BSWRHDCWEKCEOS-CYBMUJFWSA-N -1 1 378.450 1.990 20 0 GDADMM O=C([O-])N[C@@H]1CCC[C@@H]2CN(CN3C(=O)NC4(CCCCCC4)C3=O)C[C@@H]21 ZINC000834177342 605322252 /nfs/dbraw/zinc/32/22/52/605322252.db2.gz BAIKAXNCOQTNFR-QLFBSQMISA-N -1 1 378.473 1.957 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCC(C2CCOCC2)CC1 ZINC000826495064 607748397 /nfs/dbraw/zinc/74/83/97/607748397.db2.gz BDQCOSGHXGFAJC-UHFFFAOYSA-N -1 1 395.460 1.833 20 0 GDADMM C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000825815672 605357274 /nfs/dbraw/zinc/35/72/74/605357274.db2.gz DMVHCWSPHTWOOO-GHMZBOCLSA-N -1 1 376.438 1.332 20 0 GDADMM C[C@@]1(C2CCN([C@H](C(=O)[O-])c3c(F)cccc3Cl)CC2)NC(=O)NC1=O ZINC000833563443 605376130 /nfs/dbraw/zinc/37/61/30/605376130.db2.gz FKSWQRXTDCRQON-GUYCJALGSA-N -1 1 383.807 1.915 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000826425236 607753871 /nfs/dbraw/zinc/75/38/71/607753871.db2.gz VVXXPBMDRPMQHX-CVEARBPZSA-N -1 1 396.455 1.353 20 0 GDADMM O=C([O-])N1CCC(CCN2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)CC1 ZINC000834077589 605468689 /nfs/dbraw/zinc/46/86/89/605468689.db2.gz FWWJXXSUZYTUOG-UHFFFAOYSA-N -1 1 389.452 1.953 20 0 GDADMM O=C([O-])NC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000832500577 605501594 /nfs/dbraw/zinc/50/15/94/605501594.db2.gz XLIJKYXWBYCFAW-WFASDCNBSA-N -1 1 386.412 1.148 20 0 GDADMM Cc1cc(C[C@H](C)NC(=O)C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])n[nH]1 ZINC000830029173 605504078 /nfs/dbraw/zinc/50/40/78/605504078.db2.gz FNNOZCXMXKGAAO-NSHDSACASA-N -1 1 385.424 1.835 20 0 GDADMM C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000825816538 605509586 /nfs/dbraw/zinc/50/95/86/605509586.db2.gz KFHRJEKQIPZMTR-WMLDXEAASA-N -1 1 375.473 1.876 20 0 GDADMM COc1ccccc1[C@H](CNC(=O)N[C@H](C)Cc1cc(C)[nH]n1)NC(=O)[O-] ZINC000829599346 605571583 /nfs/dbraw/zinc/57/15/83/605571583.db2.gz UMJXTFGSSTYSHW-ABAIWWIYSA-N -1 1 375.429 1.966 20 0 GDADMM COc1cccc([C@@H](CNC(=O)C[C@@H]2CSCCN2C(=O)[O-])N(C)C)c1 ZINC000829543373 605601519 /nfs/dbraw/zinc/60/15/19/605601519.db2.gz JGILGNDBRAVNTG-GDBMZVCRSA-N -1 1 381.498 1.900 20 0 GDADMM O=C([O-])N1CCC[C@@H]1C(=O)NC[C@H]1CCCN(C(=O)c2ccc(F)cc2O)C1 ZINC000834032426 605609731 /nfs/dbraw/zinc/60/97/31/605609731.db2.gz WTMOQTNOMGSYKL-IUODEOHRSA-N -1 1 393.415 1.642 20 0 GDADMM O=C([O-])N1CCC[C@H](C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)C1 ZINC000834020691 605664326 /nfs/dbraw/zinc/66/43/26/605664326.db2.gz WLMQOAVOUZLBAV-RCCFBDPRSA-N -1 1 375.469 1.376 20 0 GDADMM O=C([O-])N1CC[C@](F)(C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)C1 ZINC000834085939 605682433 /nfs/dbraw/zinc/68/24/33/605682433.db2.gz SSSMFTIATBZUHY-GPMSIDNRSA-N -1 1 379.432 1.078 20 0 GDADMM O=C([O-])N[C@@H]1CC[C@H](C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)C1 ZINC000834169221 605683829 /nfs/dbraw/zinc/68/38/29/605683829.db2.gz KDVYHGPJUGWMIM-FJIDUMEYSA-N -1 1 375.469 1.422 20 0 GDADMM N=C(NOCc1ccn(-c2c(F)cccc2F)n1)[C@@H]1COCCN1C(=O)[O-] ZINC000833980101 605731395 /nfs/dbraw/zinc/73/13/95/605731395.db2.gz MMFYXZMBQVBSAS-ZDUSSCGKSA-N -1 1 381.339 1.528 20 0 GDADMM N=C(NOCc1coc(-c2c(F)cccc2F)n1)[C@H]1COCCN1C(=O)[O-] ZINC000833980399 605731674 /nfs/dbraw/zinc/73/16/74/605731674.db2.gz OPGLQZOBNLQQRL-GFCCVEGCSA-N -1 1 382.323 1.997 20 0 GDADMM CC(C)(C)NC(=O)CN1CCC(CNC(=O)[C@@H](NC(=O)[O-])C(C)(C)C)CC1 ZINC000823771602 605770800 /nfs/dbraw/zinc/77/08/00/605770800.db2.gz FRPKLWYUKFMMFC-OAHLLOKOSA-N -1 1 384.521 1.412 20 0 GDADMM Cc1nc(S(=O)(=O)NCCN(C(=O)[O-])C2CC2)sc1Br ZINC000833917283 605783593 /nfs/dbraw/zinc/78/35/93/605783593.db2.gz WJGIWLWGZBKDFI-UHFFFAOYSA-N -1 1 384.277 1.635 20 0 GDADMM C[C@H]1C[C@H](CNC(=O)[O-])CN1CC(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000833829669 605911873 /nfs/dbraw/zinc/91/18/73/605911873.db2.gz IMNGGTJVWUHMNW-GOEBONIOSA-N -1 1 388.468 1.408 20 0 GDADMM CCN(CCCNC(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)C(=O)[O-] ZINC000833857842 605933763 /nfs/dbraw/zinc/93/37/63/605933763.db2.gz SGCRGMOOSAPNNW-UHFFFAOYSA-N -1 1 383.355 1.945 20 0 GDADMM C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000833622423 605938719 /nfs/dbraw/zinc/93/87/19/605938719.db2.gz HQBMANGKWDTDGP-LKFCYVNXSA-N -1 1 399.369 1.941 20 0 GDADMM O=C([O-])N[C@@H](CNC(=O)CCn1c(=O)c2ccccc2[nH]c1=S)C1CC1 ZINC000834140147 605994893 /nfs/dbraw/zinc/99/48/93/605994893.db2.gz LNZAUKQURGYYOY-ZDUSSCGKSA-N -1 1 376.438 1.238 20 0 GDADMM O=C([O-])NCCNC(=O)[C@H]1CCCN(Cc2cc(Cl)cc3c2OCC3)C1 ZINC000834241784 606020302 /nfs/dbraw/zinc/02/03/02/606020302.db2.gz UOFFXTOBJLLVDI-ZDUSSCGKSA-N -1 1 381.860 1.871 20 0 GDADMM Cc1oc(NC(=O)[C@H](C)N2CC[C@@](O)(C(F)(F)F)C2)c(-c2nn[n-]n2)c1C ZINC000822541349 606084637 /nfs/dbraw/zinc/08/46/37/606084637.db2.gz NKBMSGXPCYLBSI-RTHLEPHNSA-N -1 1 388.350 1.403 20 0 GDADMM C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820704453 606135520 /nfs/dbraw/zinc/13/55/20/606135520.db2.gz NZTHHQTXFLGZPF-NXEZZACHSA-N -1 1 392.441 1.490 20 0 GDADMM C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820704453 606135521 /nfs/dbraw/zinc/13/55/21/606135521.db2.gz NZTHHQTXFLGZPF-NXEZZACHSA-N -1 1 392.441 1.490 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)Nc1sccc1C(N)=O ZINC000820511860 606135535 /nfs/dbraw/zinc/13/55/35/606135535.db2.gz DMINGPLPPBZNJI-LURJTMIESA-N -1 1 392.422 1.273 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)Nc1sccc1C(N)=O ZINC000820511860 606135536 /nfs/dbraw/zinc/13/55/36/606135536.db2.gz DMINGPLPPBZNJI-LURJTMIESA-N -1 1 392.422 1.273 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)NCCc1ccc(F)cc1 ZINC000820513260 606135553 /nfs/dbraw/zinc/13/55/53/606135553.db2.gz YLHRBNNSBJPJJW-JTQLQIEISA-N -1 1 389.412 1.972 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)NCCc1ccc(F)cc1 ZINC000820513260 606135554 /nfs/dbraw/zinc/13/55/54/606135554.db2.gz YLHRBNNSBJPJJW-JTQLQIEISA-N -1 1 389.412 1.972 20 0 GDADMM CC(=O)NCc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)s2)o1 ZINC000819811003 606135589 /nfs/dbraw/zinc/13/55/89/606135589.db2.gz TUUVFEZIYXBKAU-MRVPVSSYSA-N -1 1 389.393 1.586 20 0 GDADMM CC(=O)NCc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)s2)o1 ZINC000819811003 606135590 /nfs/dbraw/zinc/13/55/90/606135590.db2.gz TUUVFEZIYXBKAU-MRVPVSSYSA-N -1 1 389.393 1.586 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)N1CCC(c2ccccc2)=N1 ZINC000823396258 606136652 /nfs/dbraw/zinc/13/66/52/606136652.db2.gz GYUASEGIOUJZHG-UHFFFAOYSA-N -1 1 382.405 1.722 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)N1CCC(c2ccccc2)=N1 ZINC000823396258 606136653 /nfs/dbraw/zinc/13/66/53/606136653.db2.gz GYUASEGIOUJZHG-UHFFFAOYSA-N -1 1 382.405 1.722 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)N1CC(=O)Nc2ccccc21 ZINC000823535525 606137283 /nfs/dbraw/zinc/13/72/83/606137283.db2.gz AMKYDAGNQHCTCZ-UHFFFAOYSA-N -1 1 384.377 1.070 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)N1CC(=O)Nc2ccccc21 ZINC000823535525 606137284 /nfs/dbraw/zinc/13/72/84/606137284.db2.gz AMKYDAGNQHCTCZ-UHFFFAOYSA-N -1 1 384.377 1.070 20 0 GDADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000822424677 606152229 /nfs/dbraw/zinc/15/22/29/606152229.db2.gz ZAHFASPPNQSCSG-UHFFFAOYSA-N -1 1 397.439 1.777 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@H](O)c2ccccc2C(F)(F)F)n1 ZINC000822614016 606159962 /nfs/dbraw/zinc/15/99/62/606159962.db2.gz IFIIBYAKAGNGOQ-NSHDSACASA-N -1 1 396.333 1.474 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@H](O)c2ccccc2C(F)(F)F)n1 ZINC000822614016 606159964 /nfs/dbraw/zinc/15/99/64/606159964.db2.gz IFIIBYAKAGNGOQ-NSHDSACASA-N -1 1 396.333 1.474 20 0 GDADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(N2CCOC2=O)cc1 ZINC000820380469 606164024 /nfs/dbraw/zinc/16/40/24/606164024.db2.gz UIIXQVKZKQHIDU-SNVBAGLBSA-N -1 1 397.399 1.440 20 0 GDADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(N2CCOC2=O)cc1 ZINC000820380469 606164025 /nfs/dbraw/zinc/16/40/25/606164025.db2.gz UIIXQVKZKQHIDU-SNVBAGLBSA-N -1 1 397.399 1.440 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2cc(Br)ccc2F)n1 ZINC000822620214 606169428 /nfs/dbraw/zinc/16/94/28/606169428.db2.gz MDCGYEATEHSPRV-UHFFFAOYSA-N -1 1 395.196 1.824 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2cc(Br)ccc2F)n1 ZINC000822620214 606169429 /nfs/dbraw/zinc/16/94/29/606169429.db2.gz MDCGYEATEHSPRV-UHFFFAOYSA-N -1 1 395.196 1.824 20 0 GDADMM CNC(=O)[C@@H](C)CN(C)C(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000821630248 606184942 /nfs/dbraw/zinc/18/49/42/606184942.db2.gz QSYHEXPOZVFFCQ-VIFPVBQESA-N -1 1 389.485 1.315 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OCC[C@H]1CCCC1=O ZINC000822459111 606227449 /nfs/dbraw/zinc/22/74/49/606227449.db2.gz MVHLSAOPJGOJPU-CYBMUJFWSA-N -1 1 397.439 1.761 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OCC[C@H]1CCCC1=O ZINC000822459111 606227451 /nfs/dbraw/zinc/22/74/51/606227451.db2.gz MVHLSAOPJGOJPU-CYBMUJFWSA-N -1 1 397.439 1.761 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[C@@](C)(CCc3ccccc3)C2)n(C)c1=O ZINC000822599138 606234225 /nfs/dbraw/zinc/23/42/25/606234225.db2.gz ANNWBIZCIVLMJH-HXUWFJFHSA-N -1 1 395.467 1.113 20 0 GDADMM Cc1nsc(N(C)C(=O)CCN2C(=O)c3ccccc3C2=O)c1-c1nnn[n-]1 ZINC000822530731 606238944 /nfs/dbraw/zinc/23/89/44/606238944.db2.gz NSDZUPOWSMOQMY-UHFFFAOYSA-N -1 1 397.420 1.281 20 0 GDADMM Cc1nsc(N(C)C(=O)CCN2C(=O)c3ccccc3C2=O)c1-c1nn[n-]n1 ZINC000822530731 606238945 /nfs/dbraw/zinc/23/89/45/606238945.db2.gz NSDZUPOWSMOQMY-UHFFFAOYSA-N -1 1 397.420 1.281 20 0 GDADMM CCC1CCC(NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)(C(=O)OC)CC1 ZINC000820973689 606240412 /nfs/dbraw/zinc/24/04/12/606240412.db2.gz ZOLGJDKQTLBPMB-UHFFFAOYSA-N -1 1 394.457 1.052 20 0 GDADMM CCC1CCC(NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)(C(=O)OC)CC1 ZINC000820973689 606240414 /nfs/dbraw/zinc/24/04/14/606240414.db2.gz ZOLGJDKQTLBPMB-UHFFFAOYSA-N -1 1 394.457 1.052 20 0 GDADMM COc1cc(OC)cc(N2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)nc3)C2)c1 ZINC000821723531 606300872 /nfs/dbraw/zinc/30/08/72/606300872.db2.gz CYAKHRIJSLHWNQ-ZDUSSCGKSA-N -1 1 395.423 1.288 20 0 GDADMM COc1cc(OC)cc(N2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)nc3)C2)c1 ZINC000821723531 606300874 /nfs/dbraw/zinc/30/08/74/606300874.db2.gz CYAKHRIJSLHWNQ-ZDUSSCGKSA-N -1 1 395.423 1.288 20 0 GDADMM CCO[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1(CC)CC ZINC000821358955 606437081 /nfs/dbraw/zinc/43/70/81/606437081.db2.gz LVXKKBQJADOYPM-GJZGRUSLSA-N -1 1 394.501 1.866 20 0 GDADMM CCO[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1(CC)CC ZINC000821358955 606437083 /nfs/dbraw/zinc/43/70/83/606437083.db2.gz LVXKKBQJADOYPM-GJZGRUSLSA-N -1 1 394.501 1.866 20 0 GDADMM Nc1n[nH]c(CCCNc2ncccc2C(=O)N2CCCCC2)c1-c1nn[n-]n1 ZINC000822899695 606442188 /nfs/dbraw/zinc/44/21/88/606442188.db2.gz PESLAERLUWBPNL-UHFFFAOYSA-N -1 1 396.459 1.238 20 0 GDADMM O=S(=O)(CCNc1ccc(Cl)c(-c2nnn[n-]2)n1)Cc1ccccc1 ZINC000823562699 606461240 /nfs/dbraw/zinc/46/12/40/606461240.db2.gz VXXMZOGEMZCILP-UHFFFAOYSA-N -1 1 378.845 1.942 20 0 GDADMM O=S(=O)(CCNc1ccc(Cl)c(-c2nn[n-]n2)n1)Cc1ccccc1 ZINC000823562699 606461241 /nfs/dbraw/zinc/46/12/41/606461241.db2.gz VXXMZOGEMZCILP-UHFFFAOYSA-N -1 1 378.845 1.942 20 0 GDADMM COC(=O)CCCc1nnc([N-]C(=O)c2cc(-c3nn[nH]n3)cs2)s1 ZINC000821661500 606516449 /nfs/dbraw/zinc/51/64/49/606516449.db2.gz LVIOGJGABONZDL-UHFFFAOYSA-N -1 1 379.427 1.528 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000823483787 606522103 /nfs/dbraw/zinc/52/21/03/606522103.db2.gz NERMLLCABCOXCL-NSHDSACASA-N -1 1 380.437 1.991 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000823483787 606522105 /nfs/dbraw/zinc/52/21/05/606522105.db2.gz NERMLLCABCOXCL-NSHDSACASA-N -1 1 380.437 1.991 20 0 GDADMM CN(C)Cc1nc(C2(NC(=O)c3ccc(-c4nn[n-]n4)s3)CCCC2)no1 ZINC000821588421 606537889 /nfs/dbraw/zinc/53/78/89/606537889.db2.gz RNIBJKOFNOLPMD-UHFFFAOYSA-N -1 1 388.457 1.572 20 0 GDADMM COc1cccc(N2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)s3)CC2=O)c1 ZINC000821873768 606544287 /nfs/dbraw/zinc/54/42/87/606544287.db2.gz XZGONOXZKJTSLA-JTQLQIEISA-N -1 1 384.421 1.472 20 0 GDADMM COc1cccc(N2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)s3)CC2=O)c1 ZINC000821873768 606544288 /nfs/dbraw/zinc/54/42/88/606544288.db2.gz XZGONOXZKJTSLA-JTQLQIEISA-N -1 1 384.421 1.472 20 0 GDADMM CNS(=O)(=O)c1cccc([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821637855 606547417 /nfs/dbraw/zinc/54/74/17/606547417.db2.gz WMGFKSHGGLOGNG-VIFPVBQESA-N -1 1 392.466 1.327 20 0 GDADMM CNS(=O)(=O)c1cccc([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821637855 606547418 /nfs/dbraw/zinc/54/74/18/606547418.db2.gz WMGFKSHGGLOGNG-VIFPVBQESA-N -1 1 392.466 1.327 20 0 GDADMM COCCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821690750 606558445 /nfs/dbraw/zinc/55/84/45/606558445.db2.gz YHYWLUUOSWMNAY-UHFFFAOYSA-N -1 1 387.421 1.946 20 0 GDADMM COCCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821690750 606558446 /nfs/dbraw/zinc/55/84/46/606558446.db2.gz YHYWLUUOSWMNAY-UHFFFAOYSA-N -1 1 387.421 1.946 20 0 GDADMM CCc1nc(CN2CCC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)s3)C2)no1 ZINC000821510032 606558471 /nfs/dbraw/zinc/55/84/71/606558471.db2.gz SWVZQYQHOSODCY-SNVBAGLBSA-N -1 1 388.457 1.268 20 0 GDADMM CCc1nc(CN2CCC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)s3)C2)no1 ZINC000821510032 606558472 /nfs/dbraw/zinc/55/84/72/606558472.db2.gz SWVZQYQHOSODCY-SNVBAGLBSA-N -1 1 388.457 1.268 20 0 GDADMM COCCS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821694723 606562145 /nfs/dbraw/zinc/56/21/45/606562145.db2.gz ZSYNHVKFDSFOFB-UHFFFAOYSA-N -1 1 393.450 1.601 20 0 GDADMM COCCS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821694723 606562146 /nfs/dbraw/zinc/56/21/46/606562146.db2.gz ZSYNHVKFDSFOFB-UHFFFAOYSA-N -1 1 393.450 1.601 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCN(C)c2ncccc21 ZINC000822004296 606587493 /nfs/dbraw/zinc/58/74/93/606587493.db2.gz FBUNTRRVXBTFJY-UHFFFAOYSA-N -1 1 394.439 1.395 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@H](C)c1ccncc1 ZINC000822006129 606588379 /nfs/dbraw/zinc/58/83/79/606588379.db2.gz YDBVYLPAMZHYDX-NSHDSACASA-N -1 1 381.440 1.832 20 0 GDADMM CCC(=O)N1CSC[C@H]1C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000820838555 606589527 /nfs/dbraw/zinc/58/95/27/606589527.db2.gz WANCTVIVUDODNA-JTQLQIEISA-N -1 1 378.462 1.068 20 0 GDADMM CCC(=O)N1CSC[C@H]1C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000820838555 606589528 /nfs/dbraw/zinc/58/95/28/606589528.db2.gz WANCTVIVUDODNA-JTQLQIEISA-N -1 1 378.462 1.068 20 0 GDADMM O=C([N-]c1ncn(Cc2ccc(-c3nn[nH]n3)cc2)n1)c1scnc1Cl ZINC000823383099 606591141 /nfs/dbraw/zinc/59/11/41/606591141.db2.gz LDMOTGBMSQQLRC-UHFFFAOYSA-N -1 1 387.816 1.869 20 0 GDADMM COC(=O)C[C@H](NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1)C1CC1 ZINC000821658599 606624619 /nfs/dbraw/zinc/62/46/19/606624619.db2.gz BZHVOQDYCORQKW-LBPRGKRZSA-N -1 1 384.396 1.630 20 0 GDADMM COC(=O)C[C@H](NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1)C1CC1 ZINC000821658599 606624621 /nfs/dbraw/zinc/62/46/21/606624621.db2.gz BZHVOQDYCORQKW-LBPRGKRZSA-N -1 1 384.396 1.630 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCC[C@H]1CCOC1=O ZINC000822010305 606635062 /nfs/dbraw/zinc/63/50/62/606635062.db2.gz XGHFGZQDGJFMCT-NSHDSACASA-N -1 1 375.385 1.013 20 0 GDADMM O=C(CCCNC(=O)NC1CCCCC1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823188032 606647609 /nfs/dbraw/zinc/64/76/09/606647609.db2.gz SWQNYXCWBMOOLG-UHFFFAOYSA-N -1 1 387.444 1.717 20 0 GDADMM O=C(CCCNC(=O)NC1CCCCC1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823188032 606647610 /nfs/dbraw/zinc/64/76/10/606647610.db2.gz SWQNYXCWBMOOLG-UHFFFAOYSA-N -1 1 387.444 1.717 20 0 GDADMM C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000819730343 606647633 /nfs/dbraw/zinc/64/76/33/606647633.db2.gz WTIQGLWBFXVKJL-LBPRGKRZSA-N -1 1 376.376 1.820 20 0 GDADMM C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000819730343 606647634 /nfs/dbraw/zinc/64/76/34/606647634.db2.gz WTIQGLWBFXVKJL-LBPRGKRZSA-N -1 1 376.376 1.820 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cn(-c2ccccc2Cl)nn1 ZINC000823436158 606649016 /nfs/dbraw/zinc/64/90/16/606649016.db2.gz JWJHJNVSWHUYHP-UHFFFAOYSA-N -1 1 382.771 1.853 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cn(-c2ccccc2Cl)nn1 ZINC000823436158 606649017 /nfs/dbraw/zinc/64/90/17/606649017.db2.gz JWJHJNVSWHUYHP-UHFFFAOYSA-N -1 1 382.771 1.853 20 0 GDADMM C[C@H]1Oc2ccccc2N(CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)C1=O ZINC000820819538 606649507 /nfs/dbraw/zinc/64/95/07/606649507.db2.gz JVSBYLINOGBIPS-LLVKDONJSA-N -1 1 380.364 1.119 20 0 GDADMM C[C@H]1Oc2ccccc2N(CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)C1=O ZINC000820819538 606649508 /nfs/dbraw/zinc/64/95/08/606649508.db2.gz JVSBYLINOGBIPS-LLVKDONJSA-N -1 1 380.364 1.119 20 0 GDADMM COC(=O)COc1c(C)cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1C ZINC000821662589 606650347 /nfs/dbraw/zinc/65/03/47/606650347.db2.gz JOPXNVSDTIMLGV-UHFFFAOYSA-N -1 1 397.391 1.787 20 0 GDADMM COC(=O)COc1c(C)cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1C ZINC000821662589 606650348 /nfs/dbraw/zinc/65/03/48/606650348.db2.gz JOPXNVSDTIMLGV-UHFFFAOYSA-N -1 1 397.391 1.787 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=S)NC1CCCCC1 ZINC000820788187 606764694 /nfs/dbraw/zinc/76/46/94/606764694.db2.gz AAUUZMDNWLQSFI-GFCCVEGCSA-N -1 1 387.517 1.374 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=S)NC1CCCCC1 ZINC000820788187 606764695 /nfs/dbraw/zinc/76/46/95/606764695.db2.gz AAUUZMDNWLQSFI-GFCCVEGCSA-N -1 1 387.517 1.374 20 0 GDADMM CC(C)n1nccc1NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820788263 606767647 /nfs/dbraw/zinc/76/76/47/606767647.db2.gz BUYJJNUIJJJETK-GFCCVEGCSA-N -1 1 397.447 1.177 20 0 GDADMM CC(C)n1nccc1NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820788263 606767648 /nfs/dbraw/zinc/76/76/48/606767648.db2.gz BUYJJNUIJJJETK-GFCCVEGCSA-N -1 1 397.447 1.177 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@H](CC(=O)OC(C)(C)C)C2)n1 ZINC000822609663 606771855 /nfs/dbraw/zinc/77/18/55/606771855.db2.gz UECXTKSZSRVRHH-LLVKDONJSA-N -1 1 390.448 1.576 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@H](CC(=O)OC(C)(C)C)C2)n1 ZINC000822609663 606771858 /nfs/dbraw/zinc/77/18/58/606771858.db2.gz UECXTKSZSRVRHH-LLVKDONJSA-N -1 1 390.448 1.576 20 0 GDADMM Cc1cccc2nc(CN3CCN(c4nccnc4-c4nnn[n-]4)C[C@@H]3C)cn21 ZINC000822340999 606784637 /nfs/dbraw/zinc/78/46/37/606784637.db2.gz QDTGVOCZIYKEDF-AWEZNQCLSA-N -1 1 390.455 1.324 20 0 GDADMM Cc1cccc2nc(CN3CCN(c4nccnc4-c4nn[n-]n4)C[C@@H]3C)cn21 ZINC000822340999 606784638 /nfs/dbraw/zinc/78/46/38/606784638.db2.gz QDTGVOCZIYKEDF-AWEZNQCLSA-N -1 1 390.455 1.324 20 0 GDADMM Cc1ccc(C)c([C@@H]2CCCN2c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)c1 ZINC000822230413 606788752 /nfs/dbraw/zinc/78/87/52/606788752.db2.gz FRELDWUPHKTUTK-AWEZNQCLSA-N -1 1 381.440 1.222 20 0 GDADMM Cc1ccsc1CNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000822379191 606791876 /nfs/dbraw/zinc/79/18/76/606791876.db2.gz LXHNTNXBHWRFHG-GFCCVEGCSA-N -1 1 399.484 1.447 20 0 GDADMM Cc1ccsc1CNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000822379191 606791878 /nfs/dbraw/zinc/79/18/78/606791878.db2.gz LXHNTNXBHWRFHG-GFCCVEGCSA-N -1 1 399.484 1.447 20 0 GDADMM C[C@H](NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)C1CCCCC1 ZINC000820351726 606793632 /nfs/dbraw/zinc/79/36/32/606793632.db2.gz QXFOZASACRMXEZ-KBPBESRZSA-N -1 1 399.503 1.846 20 0 GDADMM C[C@H](NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)C1CCCCC1 ZINC000820351726 606793634 /nfs/dbraw/zinc/79/36/34/606793634.db2.gz QXFOZASACRMXEZ-KBPBESRZSA-N -1 1 399.503 1.846 20 0 GDADMM O=C(NCCOc1ncc(Cl)cc1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000823219579 606805398 /nfs/dbraw/zinc/80/53/98/606805398.db2.gz MPSPGWIXKMFUIZ-UHFFFAOYSA-N -1 1 380.195 1.772 20 0 GDADMM O=C(NCCOc1ncc(Cl)cc1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000823219579 606805400 /nfs/dbraw/zinc/80/54/00/606805400.db2.gz MPSPGWIXKMFUIZ-UHFFFAOYSA-N -1 1 380.195 1.772 20 0 GDADMM COc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cc1 ZINC000821768883 606820569 /nfs/dbraw/zinc/82/05/69/606820569.db2.gz ARCMLSJLMJOBBY-GFCCVEGCSA-N -1 1 380.412 1.016 20 0 GDADMM COc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cc1 ZINC000821768883 606820570 /nfs/dbraw/zinc/82/05/70/606820570.db2.gz ARCMLSJLMJOBBY-GFCCVEGCSA-N -1 1 380.412 1.016 20 0 GDADMM COc1cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)ccc1C ZINC000821703027 606820817 /nfs/dbraw/zinc/82/08/17/606820817.db2.gz LGDKCLMSAMWJJS-ZDUSSCGKSA-N -1 1 394.439 1.325 20 0 GDADMM COc1cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)ccc1C ZINC000821703027 606820819 /nfs/dbraw/zinc/82/08/19/606820819.db2.gz LGDKCLMSAMWJJS-ZDUSSCGKSA-N -1 1 394.439 1.325 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C=Cc1cccc(F)c1 ZINC000820776702 606821527 /nfs/dbraw/zinc/82/15/27/606821527.db2.gz MRNVWWQPQPRAOK-URWSZGRFSA-N -1 1 394.414 1.546 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C=Cc1cccc(F)c1 ZINC000820776702 606821528 /nfs/dbraw/zinc/82/15/28/606821528.db2.gz MRNVWWQPQPRAOK-URWSZGRFSA-N -1 1 394.414 1.546 20 0 GDADMM C[C@H](Oc1ccccc1)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820535134 606823263 /nfs/dbraw/zinc/82/32/63/606823263.db2.gz NYOONWRXPZDWKW-KBPBESRZSA-N -1 1 394.439 1.161 20 0 GDADMM C[C@H](Oc1ccccc1)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820535134 606823265 /nfs/dbraw/zinc/82/32/65/606823265.db2.gz NYOONWRXPZDWKW-KBPBESRZSA-N -1 1 394.439 1.161 20 0 GDADMM CCCCS[C@@H](C)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821077626 606823891 /nfs/dbraw/zinc/82/38/91/606823891.db2.gz NWBLWLSOXMGUAT-STQMWFEESA-N -1 1 390.517 1.616 20 0 GDADMM CCCCS[C@@H](C)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821077626 606823893 /nfs/dbraw/zinc/82/38/93/606823893.db2.gz NWBLWLSOXMGUAT-STQMWFEESA-N -1 1 390.517 1.616 20 0 GDADMM Cc1ccc([C@@H](C)C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)o1 ZINC000822227905 606825261 /nfs/dbraw/zinc/82/52/61/606825261.db2.gz ZTVPILKEKHSHAZ-WCQYABFASA-N -1 1 382.428 1.399 20 0 GDADMM Cc1ccc([C@@H](C)C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)o1 ZINC000822227905 606825262 /nfs/dbraw/zinc/82/52/62/606825262.db2.gz ZTVPILKEKHSHAZ-WCQYABFASA-N -1 1 382.428 1.399 20 0 GDADMM C[C@H]1CC[C@H](NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)CC1 ZINC000820788504 606832549 /nfs/dbraw/zinc/83/25/49/606832549.db2.gz IPMQXTWWRKCSIZ-MGPQQGTHSA-N -1 1 385.476 1.456 20 0 GDADMM C[C@H]1CC[C@H](NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)CC1 ZINC000820788504 606832551 /nfs/dbraw/zinc/83/25/51/606832551.db2.gz IPMQXTWWRKCSIZ-MGPQQGTHSA-N -1 1 385.476 1.456 20 0 GDADMM C[C@@H]1CCCC[C@@H]1CNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820696746 606832796 /nfs/dbraw/zinc/83/27/96/606832796.db2.gz BTLWTIMNLWXTAY-QLFBSQMISA-N -1 1 399.503 1.703 20 0 GDADMM C[C@@H]1CCCC[C@@H]1CNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820696746 606832798 /nfs/dbraw/zinc/83/27/98/606832798.db2.gz BTLWTIMNLWXTAY-QLFBSQMISA-N -1 1 399.503 1.703 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000823483602 606939414 /nfs/dbraw/zinc/93/94/14/606939414.db2.gz KBGRIBJNIPJHQF-GHMZBOCLSA-N -1 1 375.410 1.486 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000823483602 606939416 /nfs/dbraw/zinc/93/94/16/606939416.db2.gz KBGRIBJNIPJHQF-GHMZBOCLSA-N -1 1 375.410 1.486 20 0 GDADMM CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821616773 606955248 /nfs/dbraw/zinc/95/52/48/606955248.db2.gz GPYMEOAQYIELTP-UHFFFAOYSA-N -1 1 378.400 1.654 20 0 GDADMM CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821616773 606955250 /nfs/dbraw/zinc/95/52/50/606955250.db2.gz GPYMEOAQYIELTP-UHFFFAOYSA-N -1 1 378.400 1.654 20 0 GDADMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@@H]2C[C@H]2c2csc(Br)c2)n1 ZINC000530262531 649969172 /nfs/dbraw/zinc/96/91/72/649969172.db2.gz SOAGUVMSNIBGIH-NKWVEPMBSA-N -1 1 391.272 1.774 20 0 GDADMM CS(=O)(=O)c1nnc(NC(=O)[C@@H]2C[C@H]2c2csc(Br)c2)[n-]1 ZINC000530262531 649969174 /nfs/dbraw/zinc/96/91/74/649969174.db2.gz SOAGUVMSNIBGIH-NKWVEPMBSA-N -1 1 391.272 1.774 20 0 GDADMM CC(C)(C)OC1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000819946745 607048583 /nfs/dbraw/zinc/04/85/83/607048583.db2.gz PAHYZQYUGWIVLN-UHFFFAOYSA-N -1 1 383.449 1.974 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OC[C@@H]1CCCOC1 ZINC000822458611 607081441 /nfs/dbraw/zinc/08/14/41/607081441.db2.gz FXQDVXIADHKLTH-CYBMUJFWSA-N -1 1 385.428 1.429 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OC[C@@H]1CCCOC1 ZINC000822458611 607081443 /nfs/dbraw/zinc/08/14/43/607081443.db2.gz FXQDVXIADHKLTH-CYBMUJFWSA-N -1 1 385.428 1.429 20 0 GDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1ccc(CSc2nc[nH]n2)cc1 ZINC000823380401 607109026 /nfs/dbraw/zinc/10/90/26/607109026.db2.gz XCCIKMICZOBECO-UHFFFAOYSA-N -1 1 385.438 1.986 20 0 GDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1ccc(CSc2nc[nH]n2)cc1 ZINC000823380401 607109028 /nfs/dbraw/zinc/10/90/28/607109028.db2.gz XCCIKMICZOBECO-UHFFFAOYSA-N -1 1 385.438 1.986 20 0 GDADMM CC(C)OC(=O)[C@H](C)N(C)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000820141910 607128094 /nfs/dbraw/zinc/12/80/94/607128094.db2.gz CBDCDWLKFHNALM-VIFPVBQESA-N -1 1 387.849 1.481 20 0 GDADMM CC(C)N(CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1)CC(F)F ZINC000820112478 607147745 /nfs/dbraw/zinc/14/77/45/607147745.db2.gz VCHMTBJHGXNTSV-UHFFFAOYSA-N -1 1 390.398 1.966 20 0 GDADMM CC(C)N(CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1)CC(F)F ZINC000820112478 607147747 /nfs/dbraw/zinc/14/77/47/607147747.db2.gz VCHMTBJHGXNTSV-UHFFFAOYSA-N -1 1 390.398 1.966 20 0 GDADMM Cc1oc(NC(=O)[C@@H](C)N2CCOC3(CCOCC3)C2)c(-c2nn[n-]n2)c1C ZINC000822542032 607150766 /nfs/dbraw/zinc/15/07/66/607150766.db2.gz SRVRWRDJQIJNLF-GFCCVEGCSA-N -1 1 390.444 1.285 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@@H]1CCCC[C@H]1CO ZINC000822459741 607186094 /nfs/dbraw/zinc/18/60/94/607186094.db2.gz UWGHWEVRCNNPDS-XJKSGUPXSA-N -1 1 398.471 1.126 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@@H]1CCCC[C@H]1CO ZINC000822459741 607186095 /nfs/dbraw/zinc/18/60/95/607186095.db2.gz UWGHWEVRCNNPDS-XJKSGUPXSA-N -1 1 398.471 1.126 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC(c2c[nH]c3ccccc23)CC1 ZINC000823123169 607206149 /nfs/dbraw/zinc/20/61/49/607206149.db2.gz QIWFMUZNCCTWTE-UHFFFAOYSA-N -1 1 377.412 1.346 20 0 GDADMM Cc1ccc(Oc2ccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)cn2)cc1 ZINC000822267438 607208293 /nfs/dbraw/zinc/20/82/93/607208293.db2.gz SZUSCIVFXXGXEK-UHFFFAOYSA-N -1 1 377.368 1.593 20 0 GDADMM CN(CCCOc1ccc(Cl)cc1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821600648 607209552 /nfs/dbraw/zinc/20/95/52/607209552.db2.gz WTHZXNCDNGRWTH-UHFFFAOYSA-N -1 1 376.808 1.039 20 0 GDADMM CC[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1nc(-c2ccccc2)c[nH]1 ZINC000820913685 607210113 /nfs/dbraw/zinc/21/01/13/607210113.db2.gz JEHOHIFGIPTYOF-LBPRGKRZSA-N -1 1 378.400 1.116 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000823126064 607212818 /nfs/dbraw/zinc/21/28/18/607212818.db2.gz GTTRGUQAYJRLNB-ONGXEEELSA-N -1 1 378.318 1.149 20 0 GDADMM C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1nc(-c2ccccc2)cs1 ZINC000820334248 607215034 /nfs/dbraw/zinc/21/50/34/607215034.db2.gz LZTXXKMYPHXGTL-SNVBAGLBSA-N -1 1 381.425 1.459 20 0 GDADMM Cc1cccc(Oc2ccccc2CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000822332716 607215330 /nfs/dbraw/zinc/21/53/30/607215330.db2.gz ROXHEIZYLURMMT-UHFFFAOYSA-N -1 1 390.407 1.875 20 0 GDADMM Cc1ccc(C[C@@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c2ccccn2)cc1 ZINC000822234605 607217563 /nfs/dbraw/zinc/21/75/63/607217563.db2.gz BACSAKAUIXEHKW-MRXNPFEDSA-N -1 1 389.423 1.262 20 0 GDADMM Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000822233587 607220166 /nfs/dbraw/zinc/22/01/66/607220166.db2.gz RNUYUDFGNFAKDM-HOCLYGCPSA-N -1 1 382.428 1.051 20 0 GDADMM C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820819731 607222816 /nfs/dbraw/zinc/22/28/16/607222816.db2.gz KAOWZDDCOUEHBM-QMMMGPOBSA-N -1 1 393.238 1.911 20 0 GDADMM Cc1ccc(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c(OCCCC(C)C)c1 ZINC000822237098 607223268 /nfs/dbraw/zinc/22/32/68/607223268.db2.gz FCEWVQOVUJMVDA-UHFFFAOYSA-N -1 1 398.471 1.898 20 0 GDADMM CN(Cc1cccc(OC(F)(F)F)c1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821614799 607223448 /nfs/dbraw/zinc/22/34/48/607223448.db2.gz VLKSNKAOELLMPK-UHFFFAOYSA-N -1 1 382.306 1.015 20 0 GDADMM CCN(C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825377243 607799269 /nfs/dbraw/zinc/79/92/69/607799269.db2.gz YTYSPGQMLJAXPI-UHFFFAOYSA-N -1 1 392.423 1.827 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000826328458 607825912 /nfs/dbraw/zinc/82/59/12/607825912.db2.gz ROQOSVKJHMNZSD-CYBMUJFWSA-N -1 1 398.471 1.533 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000826328458 607825913 /nfs/dbraw/zinc/82/59/13/607825913.db2.gz ROQOSVKJHMNZSD-CYBMUJFWSA-N -1 1 398.471 1.533 20 0 GDADMM O=S(=O)(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1cccc(F)c1-c1nnn[n-]1 ZINC000826488105 607853372 /nfs/dbraw/zinc/85/33/72/607853372.db2.gz IFPZTIRYXNXPSK-COLVAYQJSA-N -1 1 393.444 1.632 20 0 GDADMM O=S(=O)(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1cccc(F)c1-c1nn[n-]n1 ZINC000826488105 607853373 /nfs/dbraw/zinc/85/33/73/607853373.db2.gz IFPZTIRYXNXPSK-COLVAYQJSA-N -1 1 393.444 1.632 20 0 GDADMM O=S(=O)(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826488560 607853414 /nfs/dbraw/zinc/85/34/14/607853414.db2.gz SUGUVQBFJLJKNE-NILFDRSVSA-N -1 1 393.444 1.632 20 0 GDADMM Cc1noc2ncc(S(=O)(=O)Oc3cccc(F)c3-c3nnn[n-]3)cc12 ZINC000826340443 607867109 /nfs/dbraw/zinc/86/71/09/607867109.db2.gz YRUZMJDUBPSNRL-UHFFFAOYSA-N -1 1 376.329 1.618 20 0 GDADMM Cc1noc2ncc(S(=O)(=O)Oc3cccc(F)c3-c3nn[n-]n3)cc12 ZINC000826340443 607867110 /nfs/dbraw/zinc/86/71/10/607867110.db2.gz YRUZMJDUBPSNRL-UHFFFAOYSA-N -1 1 376.329 1.618 20 0 GDADMM CCc1nn(C)c(CC)c1S(=O)(=O)Oc1cccc(F)c1-c1nnn[n-]1 ZINC000825759638 607867462 /nfs/dbraw/zinc/86/74/62/607867462.db2.gz LRCKSBVYKVEJDQ-UHFFFAOYSA-N -1 1 380.405 1.632 20 0 GDADMM CCc1nn(C)c(CC)c1S(=O)(=O)Oc1cccc(F)c1-c1nn[n-]n1 ZINC000825759638 607867463 /nfs/dbraw/zinc/86/74/63/607867463.db2.gz LRCKSBVYKVEJDQ-UHFFFAOYSA-N -1 1 380.405 1.632 20 0 GDADMM CCOC(=O)c1cccc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000825565225 607867553 /nfs/dbraw/zinc/86/75/53/607867553.db2.gz OFGSGABUBICEQZ-UHFFFAOYSA-N -1 1 392.368 1.950 20 0 GDADMM CCOC(=O)c1cccc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000825565225 607867554 /nfs/dbraw/zinc/86/75/54/607867554.db2.gz OFGSGABUBICEQZ-UHFFFAOYSA-N -1 1 392.368 1.950 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC[C@H](c2nccn2C)C1 ZINC000826341163 607913678 /nfs/dbraw/zinc/91/36/78/607913678.db2.gz YOMMPNYDXBUHHI-ZDUSSCGKSA-N -1 1 392.423 1.922 20 0 GDADMM COCC(C)(C)C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000826148264 607919203 /nfs/dbraw/zinc/91/92/03/607919203.db2.gz DJCQPPDRWBZHSE-UHFFFAOYSA-N -1 1 399.411 1.207 20 0 GDADMM COCC(C)(C)C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000826148264 607919204 /nfs/dbraw/zinc/91/92/04/607919204.db2.gz DJCQPPDRWBZHSE-UHFFFAOYSA-N -1 1 399.411 1.207 20 0 GDADMM CS[C@@H](C)CC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000826225298 607932618 /nfs/dbraw/zinc/93/26/18/607932618.db2.gz YLSUNMLPXMYHSE-JTQLQIEISA-N -1 1 377.474 1.522 20 0 GDADMM Cc1cc(NC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)c[nH]c1=O ZINC000826328467 607955940 /nfs/dbraw/zinc/95/59/40/607955940.db2.gz RYJHFDSYWPHDNO-UHFFFAOYSA-N -1 1 393.411 1.507 20 0 GDADMM Cc1cc(NC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)c[nH]c1=O ZINC000826328467 607955941 /nfs/dbraw/zinc/95/59/41/607955941.db2.gz RYJHFDSYWPHDNO-UHFFFAOYSA-N -1 1 393.411 1.507 20 0 GDADMM COc1cc(C)nc(COC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)c1 ZINC000826178529 607959685 /nfs/dbraw/zinc/95/96/85/607959685.db2.gz BGUBMLXXSVKOHM-UHFFFAOYSA-N -1 1 398.423 1.972 20 0 GDADMM CCCN(CC(=O)OCC)C(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000825307590 607961602 /nfs/dbraw/zinc/96/16/02/607961602.db2.gz GHRWFYLJIPUHAB-UHFFFAOYSA-N -1 1 380.430 1.105 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(CNc3ccc(-c4nnn[n-]4)nn3)cc2)C[C@H](C)O1 ZINC000824975308 607989775 /nfs/dbraw/zinc/98/97/75/607989775.db2.gz JLCBSPJOWKWOGH-BETUJISGSA-N -1 1 394.439 1.518 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(CNc3ccc(-c4nn[n-]n4)nn3)cc2)C[C@H](C)O1 ZINC000824975308 607989776 /nfs/dbraw/zinc/98/97/76/607989776.db2.gz JLCBSPJOWKWOGH-BETUJISGSA-N -1 1 394.439 1.518 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1CCCN1C(=O)c1ccccc1 ZINC000826451002 607998273 /nfs/dbraw/zinc/99/82/73/607998273.db2.gz LYHANEBXPDKXLW-OAHLLOKOSA-N -1 1 378.392 1.816 20 0 GDADMM O=C(NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826434785 608005086 /nfs/dbraw/zinc/00/50/86/608005086.db2.gz XNLFSUTZUYYVQL-AWEZNQCLSA-N -1 1 377.408 1.040 20 0 GDADMM O=C(NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826434785 608005087 /nfs/dbraw/zinc/00/50/87/608005087.db2.gz XNLFSUTZUYYVQL-AWEZNQCLSA-N -1 1 377.408 1.040 20 0 GDADMM C[C@@](O)(CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)C(F)(F)F ZINC000824669952 608026551 /nfs/dbraw/zinc/02/65/51/608026551.db2.gz JBPDGGQUOZQYNL-SNVBAGLBSA-N -1 1 385.755 1.112 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@H](C)c1ccc[nH]1 ZINC000826328090 608030679 /nfs/dbraw/zinc/03/06/79/608030679.db2.gz GBUHYJKMHWMLLP-LLVKDONJSA-N -1 1 379.428 1.664 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@H](C)c1ccc[nH]1 ZINC000826328090 608030680 /nfs/dbraw/zinc/03/06/80/608030680.db2.gz GBUHYJKMHWMLLP-LLVKDONJSA-N -1 1 379.428 1.664 20 0 GDADMM Cc1oc(NC(=O)COC(=O)[C@@H]2CCC(=O)[C@@H](C)C2)c(-c2nn[n-]n2)c1C ZINC000826342385 608059349 /nfs/dbraw/zinc/05/93/49/608059349.db2.gz IJPXPTADPCZDTN-GZMMTYOYSA-N -1 1 375.385 1.564 20 0 GDADMM CC(C)c1ccc2c(c1)[C@H](Nc1c(-c3nn[n-]n3)c(=O)n(C)c(=O)n1C)CCC2 ZINC000824348054 608100224 /nfs/dbraw/zinc/10/02/24/608100224.db2.gz YAUKATCOPCCPOL-OAHLLOKOSA-N -1 1 395.467 1.877 20 0 GDADMM CN(C)c1nnc(-c2ccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)cc2)o1 ZINC000825888712 608100378 /nfs/dbraw/zinc/10/03/78/608100378.db2.gz URGDUAPECOPDLH-UHFFFAOYSA-N -1 1 377.368 1.630 20 0 GDADMM CN(C)c1nnc(-c2ccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)cc2)o1 ZINC000825888712 608100379 /nfs/dbraw/zinc/10/03/79/608100379.db2.gz URGDUAPECOPDLH-UHFFFAOYSA-N -1 1 377.368 1.630 20 0 GDADMM C[C@@H]1OCC[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825020226 608111532 /nfs/dbraw/zinc/11/15/32/608111532.db2.gz JNLVHWAYZWMIEU-OIBJUYFYSA-N -1 1 377.348 1.341 20 0 GDADMM CC[C@@]1(C)COCCN1C(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000825165328 608167276 /nfs/dbraw/zinc/16/72/76/608167276.db2.gz YSHKSIWJIVCIMV-IBGZPJMESA-N -1 1 398.471 1.486 20 0 GDADMM CC[C@@]1(C)COCCN1C(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000825165328 608167278 /nfs/dbraw/zinc/16/72/78/608167278.db2.gz YSHKSIWJIVCIMV-IBGZPJMESA-N -1 1 398.471 1.486 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCc2ccc(C(C)=O)c(C)n2)cc1-c1nn[n-]n1 ZINC000826229572 608208622 /nfs/dbraw/zinc/20/86/22/608208622.db2.gz JFYTXQYLXKRQRK-UHFFFAOYSA-N -1 1 399.436 1.525 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C[C@H]1CCOc2ccccc21 ZINC000825923668 608212656 /nfs/dbraw/zinc/21/26/56/608212656.db2.gz QSDCSZXCZGHZQJ-GFCCVEGCSA-N -1 1 396.455 1.519 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C[C@H]1CCOc2ccccc21 ZINC000825923668 608212657 /nfs/dbraw/zinc/21/26/57/608212657.db2.gz QSDCSZXCZGHZQJ-GFCCVEGCSA-N -1 1 396.455 1.519 20 0 GDADMM CCc1c(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)[nH]c(C)c1C(C)=O ZINC000825688160 608212860 /nfs/dbraw/zinc/21/28/60/608212860.db2.gz RFBBLQBGXGKJMX-UHFFFAOYSA-N -1 1 399.459 1.278 20 0 GDADMM CCc1c(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)[nH]c(C)c1C(C)=O ZINC000825688160 608212861 /nfs/dbraw/zinc/21/28/61/608212861.db2.gz RFBBLQBGXGKJMX-UHFFFAOYSA-N -1 1 399.459 1.278 20 0 GDADMM Cc1ccc(CCCC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)s1 ZINC000826287538 608213438 /nfs/dbraw/zinc/21/34/38/608213438.db2.gz SSANIHYBCJNFLF-UHFFFAOYSA-N -1 1 388.501 1.956 20 0 GDADMM Cc1ccc(CCCC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)s1 ZINC000826287538 608213439 /nfs/dbraw/zinc/21/34/39/608213439.db2.gz SSANIHYBCJNFLF-UHFFFAOYSA-N -1 1 388.501 1.956 20 0 GDADMM O=S(=O)(N[C@@H](CO)c1ccc(Cl)cc1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826487630 608248201 /nfs/dbraw/zinc/24/82/01/608248201.db2.gz UYWPMRZAOSVWRS-LBPRGKRZSA-N -1 1 397.819 1.671 20 0 GDADMM O=S(=O)(N[C@@H](CO)c1ccc(Cl)cc1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826487630 608248202 /nfs/dbraw/zinc/24/82/02/608248202.db2.gz UYWPMRZAOSVWRS-LBPRGKRZSA-N -1 1 397.819 1.671 20 0 GDADMM COCCCOCCN(C)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826157255 608308228 /nfs/dbraw/zinc/30/82/28/608308228.db2.gz NCHDNLVMUIBEIZ-UHFFFAOYSA-N -1 1 389.865 1.194 20 0 GDADMM O=C(O[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccc([O-])cc1F ZINC000826461851 608321319 /nfs/dbraw/zinc/32/13/19/608321319.db2.gz IKJZFAMKVPQNCM-HNNXBMFYSA-N -1 1 383.339 1.674 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCCCC2CCCC2)n1 ZINC000824148139 608340186 /nfs/dbraw/zinc/34/01/86/608340186.db2.gz NFMCPGDCNCOAQD-UHFFFAOYSA-N -1 1 388.476 1.843 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCCCC2CCCC2)n1 ZINC000824148139 608340187 /nfs/dbraw/zinc/34/01/87/608340187.db2.gz NFMCPGDCNCOAQD-UHFFFAOYSA-N -1 1 388.476 1.843 20 0 GDADMM CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825193109 608340234 /nfs/dbraw/zinc/34/02/34/608340234.db2.gz KIHOFVCZXADABA-YPMHNXCESA-N -1 1 388.476 1.842 20 0 GDADMM CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825193109 608340236 /nfs/dbraw/zinc/34/02/36/608340236.db2.gz KIHOFVCZXADABA-YPMHNXCESA-N -1 1 388.476 1.842 20 0 GDADMM CC(C)(C)SCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824123287 608350987 /nfs/dbraw/zinc/35/09/87/608350987.db2.gz BWUOOGYMWSVUOH-UHFFFAOYSA-N -1 1 394.505 1.405 20 0 GDADMM CC(C)(C)SCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824123287 608350989 /nfs/dbraw/zinc/35/09/89/608350989.db2.gz BWUOOGYMWSVUOH-UHFFFAOYSA-N -1 1 394.505 1.405 20 0 GDADMM C[C@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)C(C)(C)C ZINC000824420164 608352708 /nfs/dbraw/zinc/35/27/08/608352708.db2.gz GMWMTKAASQCKPJ-SNVBAGLBSA-N -1 1 376.465 1.555 20 0 GDADMM C[C@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)C(C)(C)C ZINC000824420164 608352709 /nfs/dbraw/zinc/35/27/09/608352709.db2.gz GMWMTKAASQCKPJ-SNVBAGLBSA-N -1 1 376.465 1.555 20 0 GDADMM C[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)c1ccccc1 ZINC000824471065 608353034 /nfs/dbraw/zinc/35/30/34/608353034.db2.gz NXQAYWMQVTXXFF-LLVKDONJSA-N -1 1 382.428 1.634 20 0 GDADMM C[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)c1ccccc1 ZINC000824471065 608353037 /nfs/dbraw/zinc/35/30/37/608353037.db2.gz NXQAYWMQVTXXFF-LLVKDONJSA-N -1 1 382.428 1.634 20 0 GDADMM CC(C)C[C@@H]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000824244818 608354189 /nfs/dbraw/zinc/35/41/89/608354189.db2.gz UMTXSPRTMMNASC-LBPRGKRZSA-N -1 1 388.476 1.651 20 0 GDADMM CC(C)C[C@@H]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000824244818 608354191 /nfs/dbraw/zinc/35/41/91/608354191.db2.gz UMTXSPRTMMNASC-LBPRGKRZSA-N -1 1 388.476 1.651 20 0 GDADMM C[C@H]1c2ccccc2CN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825028758 608354801 /nfs/dbraw/zinc/35/48/01/608354801.db2.gz KBXRXSFMAHCSOR-NSHDSACASA-N -1 1 394.439 1.860 20 0 GDADMM C[C@H]1c2ccccc2CN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825028758 608354804 /nfs/dbraw/zinc/35/48/04/608354804.db2.gz KBXRXSFMAHCSOR-NSHDSACASA-N -1 1 394.439 1.860 20 0 GDADMM CC[C@H](C)C[C@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825060545 608354992 /nfs/dbraw/zinc/35/49/92/608354992.db2.gz QNVJXIMMIQIKDW-QWRGUYRKSA-N -1 1 376.465 1.698 20 0 GDADMM CC[C@H](C)C[C@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825060545 608354994 /nfs/dbraw/zinc/35/49/94/608354994.db2.gz QNVJXIMMIQIKDW-QWRGUYRKSA-N -1 1 376.465 1.698 20 0 GDADMM C[C@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)c1ccncc1 ZINC000824420714 608356314 /nfs/dbraw/zinc/35/63/14/608356314.db2.gz ONPILDPIOOXJSJ-LLVKDONJSA-N -1 1 397.443 1.072 20 0 GDADMM C[C@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)c1ccncc1 ZINC000824420714 608356315 /nfs/dbraw/zinc/35/63/15/608356315.db2.gz ONPILDPIOOXJSJ-LLVKDONJSA-N -1 1 397.443 1.072 20 0 GDADMM CSC[C@@H]1CCCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826228457 608358909 /nfs/dbraw/zinc/35/89/09/608358909.db2.gz PJQWGPQCTNXGPL-JTQLQIEISA-N -1 1 392.489 1.111 20 0 GDADMM CSC[C@@H]1CCCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826228457 608358911 /nfs/dbraw/zinc/35/89/11/608358911.db2.gz PJQWGPQCTNXGPL-JTQLQIEISA-N -1 1 392.489 1.111 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1cccc(Cl)c1 ZINC000825929994 608408216 /nfs/dbraw/zinc/40/82/16/608408216.db2.gz NUWVMQIRNKOYDJ-UHFFFAOYSA-N -1 1 375.824 1.922 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1cccc(Cl)c1 ZINC000825929994 608408218 /nfs/dbraw/zinc/40/82/18/608408218.db2.gz NUWVMQIRNKOYDJ-UHFFFAOYSA-N -1 1 375.824 1.922 20 0 GDADMM Clc1cccc([C@@H](CNc2ccc(-c3nnn[n-]3)nn2)N2CCOCC2)c1 ZINC000826353458 608410521 /nfs/dbraw/zinc/41/05/21/608410521.db2.gz QARLQSGTQQBQTB-OAHLLOKOSA-N -1 1 386.847 1.796 20 0 GDADMM Clc1cccc([C@@H](CNc2ccc(-c3nn[n-]n3)nn2)N2CCOCC2)c1 ZINC000826353458 608410523 /nfs/dbraw/zinc/41/05/23/608410523.db2.gz QARLQSGTQQBQTB-OAHLLOKOSA-N -1 1 386.847 1.796 20 0 GDADMM COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC000826190145 608420185 /nfs/dbraw/zinc/42/01/85/608420185.db2.gz QWZIGHIJSMOGAI-AWEZNQCLSA-N -1 1 380.412 1.581 20 0 GDADMM COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC000826190145 608420187 /nfs/dbraw/zinc/42/01/87/608420187.db2.gz QWZIGHIJSMOGAI-AWEZNQCLSA-N -1 1 380.412 1.581 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1ccc(C(F)(F)F)nn1 ZINC000824999004 608431319 /nfs/dbraw/zinc/43/13/19/608431319.db2.gz CHEXIXUQDCLGCO-VIFPVBQESA-N -1 1 392.349 1.181 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1ccc(C(F)(F)F)nn1 ZINC000824999004 608431321 /nfs/dbraw/zinc/43/13/21/608431321.db2.gz CHEXIXUQDCLGCO-VIFPVBQESA-N -1 1 392.349 1.181 20 0 GDADMM OC[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)Cc1ccccc1C(F)(F)F ZINC000826507920 608434358 /nfs/dbraw/zinc/43/43/58/608434358.db2.gz YWPBTSPTGJXIPL-SNVBAGLBSA-N -1 1 379.346 1.939 20 0 GDADMM OC[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)Cc1ccccc1C(F)(F)F ZINC000826507920 608434359 /nfs/dbraw/zinc/43/43/59/608434359.db2.gz YWPBTSPTGJXIPL-SNVBAGLBSA-N -1 1 379.346 1.939 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCc2cccc(F)c2C1 ZINC000826495323 608448777 /nfs/dbraw/zinc/44/87/77/608448777.db2.gz LIOTZSINZPFQNI-UHFFFAOYSA-N -1 1 377.376 1.892 20 0 GDADMM Nc1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)nc1Br ZINC000826396022 608457386 /nfs/dbraw/zinc/45/73/86/608457386.db2.gz CQSCDIAPVFLZPO-UHFFFAOYSA-N -1 1 376.174 1.358 20 0 GDADMM Nc1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)nc1Br ZINC000826396022 608457387 /nfs/dbraw/zinc/45/73/87/608457387.db2.gz CQSCDIAPVFLZPO-UHFFFAOYSA-N -1 1 376.174 1.358 20 0 GDADMM COC(=O)C1(NCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CCCCCC1 ZINC000826124994 608459245 /nfs/dbraw/zinc/45/92/45/608459245.db2.gz ZFSOOECUVNUQBD-UHFFFAOYSA-N -1 1 390.444 1.871 20 0 GDADMM Cc1oc(NC(=O)COC(=O)C[C@H]2CSCCS2)c(-c2nn[n-]n2)c1C ZINC000826342344 608460284 /nfs/dbraw/zinc/46/02/84/608460284.db2.gz HBFPPDXTJWUHLK-JTQLQIEISA-N -1 1 397.482 1.797 20 0 GDADMM CC[C@@H](CSC)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825128383 608471862 /nfs/dbraw/zinc/47/18/62/608471862.db2.gz SKZSYERIKJNUFJ-VIFPVBQESA-N -1 1 380.478 1.015 20 0 GDADMM CC[C@@H](CSC)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825128383 608471863 /nfs/dbraw/zinc/47/18/63/608471863.db2.gz SKZSYERIKJNUFJ-VIFPVBQESA-N -1 1 380.478 1.015 20 0 GDADMM O=S(=O)([N-]C[C@H]1CS(=O)(=O)CCO1)c1ccc(Cl)c(F)c1Cl ZINC000530438929 649975908 /nfs/dbraw/zinc/97/59/08/649975908.db2.gz SAGDDKHBIHBBHV-ZETCQYMHSA-N -1 1 392.257 1.224 20 0 GDADMM C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(Cc3ccc(-c4nnn[n-]4)o3)CC2)C1 ZINC000824877547 608505862 /nfs/dbraw/zinc/50/58/62/608505862.db2.gz YHZAJYUDDAUNPP-HUUCEWRRSA-N -1 1 387.488 1.082 20 0 GDADMM C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(Cc3ccc(-c4nn[n-]n4)o3)CC2)C1 ZINC000824877547 608505864 /nfs/dbraw/zinc/50/58/64/608505864.db2.gz YHZAJYUDDAUNPP-HUUCEWRRSA-N -1 1 387.488 1.082 20 0 GDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000826280537 608542733 /nfs/dbraw/zinc/54/27/33/608542733.db2.gz FWGRHWIMBBAMQI-GJZGRUSLSA-N -1 1 398.515 1.197 20 0 GDADMM CC(=O)Nc1ccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000823999488 608548775 /nfs/dbraw/zinc/54/87/75/608548775.db2.gz CPPREYMHMSTCOS-UHFFFAOYSA-N -1 1 398.431 1.227 20 0 GDADMM CC(=O)Nc1ccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000823999488 608548777 /nfs/dbraw/zinc/54/87/77/608548777.db2.gz CPPREYMHMSTCOS-UHFFFAOYSA-N -1 1 398.431 1.227 20 0 GDADMM CCc1ccnc(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)c1 ZINC000825728704 608551251 /nfs/dbraw/zinc/55/12/51/608551251.db2.gz WUVDXEPWVVAZQV-UHFFFAOYSA-N -1 1 394.439 1.652 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cc2ccccc2[nH]c1=O ZINC000825934592 608558655 /nfs/dbraw/zinc/55/86/55/608558655.db2.gz OPUNEVZNPXHHSG-UHFFFAOYSA-N -1 1 393.411 1.131 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cc2ccccc2[nH]c1=O ZINC000825934592 608558658 /nfs/dbraw/zinc/55/86/58/608558658.db2.gz OPUNEVZNPXHHSG-UHFFFAOYSA-N -1 1 393.411 1.131 20 0 GDADMM C[C@H]1CCC[C@H](NC(=O)CN2CCN(Cc3ccc(-c4nnn[n-]4)o3)CC2)C1 ZINC000824928429 608677536 /nfs/dbraw/zinc/67/75/36/608677536.db2.gz SKHDKSSVQRZXNX-GJZGRUSLSA-N -1 1 387.488 1.272 20 0 GDADMM C[C@H]1CCC[C@H](NC(=O)CN2CCN(Cc3ccc(-c4nn[n-]n4)o3)CC2)C1 ZINC000824928429 608677538 /nfs/dbraw/zinc/67/75/38/608677538.db2.gz SKHDKSSVQRZXNX-GJZGRUSLSA-N -1 1 387.488 1.272 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1ccc2c(c1)CCO2 ZINC000825930341 609153410 /nfs/dbraw/zinc/15/34/10/609153410.db2.gz TYTNCFBULWUNRI-UHFFFAOYSA-N -1 1 383.416 1.203 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1ccc2c(c1)CCO2 ZINC000825930341 609153411 /nfs/dbraw/zinc/15/34/11/609153411.db2.gz TYTNCFBULWUNRI-UHFFFAOYSA-N -1 1 383.416 1.203 20 0 GDADMM Cc1c(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cccc1N(C)C ZINC000826241554 609163207 /nfs/dbraw/zinc/16/32/07/609163207.db2.gz HLBZZAAYYLEZTJ-UHFFFAOYSA-N -1 1 398.475 1.643 20 0 GDADMM Cc1c(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cccc1N(C)C ZINC000826241554 609163209 /nfs/dbraw/zinc/16/32/09/609163209.db2.gz HLBZZAAYYLEZTJ-UHFFFAOYSA-N -1 1 398.475 1.643 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@@H]2COC3(CCCCCC3)O2)n1 ZINC000826356896 609272616 /nfs/dbraw/zinc/27/26/16/609272616.db2.gz KCMASDULSIOXIO-LLVKDONJSA-N -1 1 376.421 1.188 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@@H]2COC3(CCCCCC3)O2)n1 ZINC000826356896 609272617 /nfs/dbraw/zinc/27/26/17/609272617.db2.gz KCMASDULSIOXIO-LLVKDONJSA-N -1 1 376.421 1.188 20 0 GDADMM O=C1NCCN1Cc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826482875 609284047 /nfs/dbraw/zinc/28/40/47/609284047.db2.gz SXYGGOFBLCQMHW-UHFFFAOYSA-N -1 1 399.436 1.193 20 0 GDADMM CC[C@H](C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N1CCCC1=O ZINC000825040034 609286916 /nfs/dbraw/zinc/28/69/16/609286916.db2.gz YGSRVSIWHCKHPP-GFCCVEGCSA-N -1 1 398.402 1.531 20 0 GDADMM Cc1ccccc1[C@@H](C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826305589 609299519 /nfs/dbraw/zinc/29/95/19/609299519.db2.gz CAUUQUXRQFOMAU-GFCCVEGCSA-N -1 1 383.460 1.816 20 0 GDADMM Cc1ccccc1[C@@H](C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826305589 609299521 /nfs/dbraw/zinc/29/95/21/609299521.db2.gz CAUUQUXRQFOMAU-GFCCVEGCSA-N -1 1 383.460 1.816 20 0 GDADMM C[C@H]1CCCC[C@H]1CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824938149 609300011 /nfs/dbraw/zinc/30/00/11/609300011.db2.gz UACUQYQQQNRFKT-RYUDHWBXSA-N -1 1 375.481 1.572 20 0 GDADMM C[C@H]1CCCC[C@H]1CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824938149 609300013 /nfs/dbraw/zinc/30/00/13/609300013.db2.gz UACUQYQQQNRFKT-RYUDHWBXSA-N -1 1 375.481 1.572 20 0 GDADMM C[C@H]1CCC[C@H](CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1 ZINC000824926646 609300378 /nfs/dbraw/zinc/30/03/78/609300378.db2.gz KOJSMMKAUHHVAZ-RYUDHWBXSA-N -1 1 375.481 1.572 20 0 GDADMM C[C@H]1CCC[C@H](CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C1 ZINC000824926646 609300380 /nfs/dbraw/zinc/30/03/80/609300380.db2.gz KOJSMMKAUHHVAZ-RYUDHWBXSA-N -1 1 375.481 1.572 20 0 GDADMM CCC(CC)(CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)SC ZINC000825089853 609303782 /nfs/dbraw/zinc/30/37/82/609303782.db2.gz MWXCKTJQKPPNHI-UHFFFAOYSA-N -1 1 395.537 1.668 20 0 GDADMM CCC(CC)(CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)SC ZINC000825089853 609303784 /nfs/dbraw/zinc/30/37/84/609303784.db2.gz MWXCKTJQKPPNHI-UHFFFAOYSA-N -1 1 395.537 1.668 20 0 GDADMM CCCC1(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CCC1 ZINC000825248415 609309106 /nfs/dbraw/zinc/30/91/06/609309106.db2.gz UAPARTJOHINQNQ-UHFFFAOYSA-N -1 1 375.481 1.716 20 0 GDADMM CCCC1(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CCC1 ZINC000825248415 609309108 /nfs/dbraw/zinc/30/91/08/609309108.db2.gz UAPARTJOHINQNQ-UHFFFAOYSA-N -1 1 375.481 1.716 20 0 GDADMM CN(C)C(=O)CCCC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825841357 609311132 /nfs/dbraw/zinc/31/11/32/609311132.db2.gz VQNRRHMEEBSKMZ-UHFFFAOYSA-N -1 1 386.391 1.389 20 0 GDADMM CN(C)c1cnc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cn1 ZINC000825883754 609311256 /nfs/dbraw/zinc/31/12/56/609311256.db2.gz MQKWVXYCZDMAFJ-UHFFFAOYSA-N -1 1 394.374 1.300 20 0 GDADMM Cc1noc(CCCC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)n1 ZINC000826339492 609313517 /nfs/dbraw/zinc/31/35/17/609313517.db2.gz GWXLDEXBDUYOKW-UHFFFAOYSA-N -1 1 397.374 1.844 20 0 GDADMM C[C@@H](CNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C1CC1 ZINC000824420534 609355160 /nfs/dbraw/zinc/35/51/60/609355160.db2.gz MBCQYQKYNQATCU-JTQLQIEISA-N -1 1 398.402 1.292 20 0 GDADMM CC(C)CN(C)C(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824255203 609355699 /nfs/dbraw/zinc/35/56/99/609355699.db2.gz CGXDUWCACGEUGE-UHFFFAOYSA-N -1 1 386.391 1.244 20 0 GDADMM CC(C)(C)[C@H](O)CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824071200 609356946 /nfs/dbraw/zinc/35/69/46/609356946.db2.gz GTODKFIQVQLTPH-GFCCVEGCSA-N -1 1 388.407 1.720 20 0 GDADMM Cn1ccc(CNC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)n1 ZINC000826363342 609358639 /nfs/dbraw/zinc/35/86/39/609358639.db2.gz IHRFIXQYORBDRQ-UHFFFAOYSA-N -1 1 382.363 1.247 20 0 GDADMM CC(C)(C)[C@H](CO)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824071572 609360199 /nfs/dbraw/zinc/36/01/99/609360199.db2.gz JUJMIBACKHDLKL-LBPRGKRZSA-N -1 1 388.407 1.720 20 0 GDADMM Cn1ccc(CNC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)c1 ZINC000826363308 609361226 /nfs/dbraw/zinc/36/12/26/609361226.db2.gz GVQLNWFUTLEISI-UHFFFAOYSA-N -1 1 381.375 1.852 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@@H](CO)c2sccc2C)cc1-c1nn[n-]n1 ZINC000826229839 609406511 /nfs/dbraw/zinc/40/65/11/609406511.db2.gz TXMKZAHYMASPSQ-JTQLQIEISA-N -1 1 392.466 1.523 20 0 GDADMM Cc1cc([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)ccc1OCCO ZINC000826271421 609457683 /nfs/dbraw/zinc/45/76/83/609457683.db2.gz QNUKXHGJBHESFW-UHFFFAOYSA-N -1 1 375.410 1.347 20 0 GDADMM Cc1onc(CC(=O)NCc2cccnc2OCC(F)F)c1-c1nnn[n-]1 ZINC000826348000 609469205 /nfs/dbraw/zinc/46/92/05/609469205.db2.gz PDTGPMXWOSJWKQ-UHFFFAOYSA-N -1 1 379.327 1.061 20 0 GDADMM Cc1onc(CC(=O)NCc2cccnc2OCC(F)F)c1-c1nn[n-]n1 ZINC000826348000 609469208 /nfs/dbraw/zinc/46/92/08/609469208.db2.gz PDTGPMXWOSJWKQ-UHFFFAOYSA-N -1 1 379.327 1.061 20 0 GDADMM COCCn1ccc2ccc(NC(=O)Cc3noc(C)c3-c3nnn[n-]3)cc21 ZINC000826164091 609470212 /nfs/dbraw/zinc/47/02/12/609470212.db2.gz ZFLLQCGJIJGUBA-UHFFFAOYSA-N -1 1 381.396 1.945 20 0 GDADMM COCCn1ccc2ccc(NC(=O)Cc3noc(C)c3-c3nn[n-]n3)cc21 ZINC000826164091 609470214 /nfs/dbraw/zinc/47/02/14/609470214.db2.gz ZFLLQCGJIJGUBA-UHFFFAOYSA-N -1 1 381.396 1.945 20 0 GDADMM Cc1cc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)nn1-c1cccc(F)c1 ZINC000826348561 609471707 /nfs/dbraw/zinc/47/17/07/609471707.db2.gz SHFKDPWUMVDHRB-UHFFFAOYSA-N -1 1 382.359 1.978 20 0 GDADMM Cc1cc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)nn1-c1cccc(F)c1 ZINC000826348561 609471709 /nfs/dbraw/zinc/47/17/09/609471709.db2.gz SHFKDPWUMVDHRB-UHFFFAOYSA-N -1 1 382.359 1.978 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@H](COc2ccccc2)C1 ZINC000826494893 609585877 /nfs/dbraw/zinc/58/58/77/609585877.db2.gz UGBMRYCRJQMEIY-ZDUSSCGKSA-N -1 1 386.437 1.351 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@H](COc2ccccc2)C1 ZINC000826494893 609585879 /nfs/dbraw/zinc/58/58/79/609585879.db2.gz UGBMRYCRJQMEIY-ZDUSSCGKSA-N -1 1 386.437 1.351 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@@H](C)[C@@H]1CCCOC1 ZINC000826328456 609623220 /nfs/dbraw/zinc/62/32/20/609623220.db2.gz RMBAKRXNYNCCRT-SMDDNHRTSA-N -1 1 398.471 1.390 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@@H](C)[C@@H]1CCCOC1 ZINC000826328456 609623221 /nfs/dbraw/zinc/62/32/21/609623221.db2.gz RMBAKRXNYNCCRT-SMDDNHRTSA-N -1 1 398.471 1.390 20 0 GDADMM O=C(Nc1ccc(F)cc1[O-])c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000531755780 649996317 /nfs/dbraw/zinc/99/63/17/649996317.db2.gz RKLCOWBLBZRTGZ-UHFFFAOYSA-N -1 1 386.426 1.866 20 0 GDADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCCCOC)c(OC)c1 ZINC000535595894 650250766 /nfs/dbraw/zinc/25/07/66/650250766.db2.gz MYMOKJMAMALAQI-UHFFFAOYSA-N -1 1 394.515 1.552 20 0 GDADMM C[C@@H]1C[C@H](CCNS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CCO1 ZINC000542238175 650400898 /nfs/dbraw/zinc/40/08/98/650400898.db2.gz NHOKAYMNYVJRGS-VXGBXAGGSA-N -1 1 394.490 1.681 20 0 GDADMM O=C(NCCCc1ccc(Br)cc1F)c1cc(=O)n2[n-]cnc2n1 ZINC000543698974 650428378 /nfs/dbraw/zinc/42/83/78/650428378.db2.gz HBDCBHZHJFZLDJ-UHFFFAOYSA-N -1 1 394.204 1.682 20 0 GDADMM O=C(Nc1ccc(I)cc1)c1cc(=O)n2[n-]cnc2n1 ZINC000544684558 650444249 /nfs/dbraw/zinc/44/42/49/650444249.db2.gz WTVDXDLFYKPIKM-UHFFFAOYSA-N -1 1 381.133 1.275 20 0 GDADMM O=C(NCc1nncn1C1CC1)c1ccc(I)c([O-])c1 ZINC000544859592 650447157 /nfs/dbraw/zinc/44/71/57/650447157.db2.gz HKNFQKWEKQXCSY-UHFFFAOYSA-N -1 1 384.177 1.853 20 0 GDADMM O=C(NCCc1cc(Br)ccc1F)c1cc(=O)n2[n-]cnc2n1 ZINC000545395037 650457142 /nfs/dbraw/zinc/45/71/42/650457142.db2.gz MPYJJNBPBLQUPV-UHFFFAOYSA-N -1 1 380.177 1.292 20 0 GDADMM O=C(NCCOC[C@@H]1CCCO1)c1ccc(I)c([O-])c1 ZINC000546918661 650490361 /nfs/dbraw/zinc/49/03/61/650490361.db2.gz TUBRQYFRXSDEKT-NSHDSACASA-N -1 1 391.205 1.922 20 0 GDADMM CCc1cc(C[N-]S(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)on1 ZINC000547714550 650513289 /nfs/dbraw/zinc/51/32/89/650513289.db2.gz GWUGOEUSQSIJDP-UHFFFAOYSA-N -1 1 385.467 1.156 20 0 GDADMM C[C@@H]1CN(CC[N-]S(=O)(=O)c2cc(Br)c(F)cc2F)CCO1 ZINC000548041616 650528656 /nfs/dbraw/zinc/52/86/56/650528656.db2.gz IERCDPUPFROTPQ-SECBINFHSA-N -1 1 399.257 1.726 20 0 GDADMM Cc1cnc(C[N-]S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)s1 ZINC000548042626 650528933 /nfs/dbraw/zinc/52/89/33/650528933.db2.gz RMSJAVZABDUHBG-UHFFFAOYSA-N -1 1 375.497 1.180 20 0 GDADMM Cn1cc(S(=O)(=O)[N-][C@H]2CCC[C@@H](S(C)(=O)=O)C2)c(C(F)(F)F)n1 ZINC000549775231 650582639 /nfs/dbraw/zinc/58/26/39/650582639.db2.gz ZPTKWZMONZUYQI-DTWKUNHWSA-N -1 1 389.421 1.073 20 0 GDADMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)ccc1F ZINC000554144027 650669757 /nfs/dbraw/zinc/66/97/57/650669757.db2.gz HTTWJNFGHAJNTE-UHFFFAOYSA-N -1 1 387.414 1.232 20 0 GDADMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Br)o2)[C@H]1n1cccn1 ZINC000555479045 650692117 /nfs/dbraw/zinc/69/21/17/650692117.db2.gz LODIBTKUNMUMLU-OPQQBVKSSA-N -1 1 390.259 1.936 20 0 GDADMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Br)o2)[C@H]1n1cccn1 ZINC000555479043 650692150 /nfs/dbraw/zinc/69/21/50/650692150.db2.gz LODIBTKUNMUMLU-GIPNMCIBSA-N -1 1 390.259 1.936 20 0 GDADMM O=C([O-])[C@@H]1[C@H]2CCCN2CCN1S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000556773918 650711043 /nfs/dbraw/zinc/71/10/43/650711043.db2.gz GHKTVRABANBHOM-PWSUYJOCSA-N -1 1 379.360 1.022 20 0 GDADMM COC(=O)c1ccccc1CS(=O)(=O)[N-]Cc1nc(C(F)(F)F)no1 ZINC000564077496 650747381 /nfs/dbraw/zinc/74/73/81/650747381.db2.gz BNTVRKRRSXYORT-UHFFFAOYSA-N -1 1 379.316 1.495 20 0 GDADMM C[C@@H]1CCC[C@H](NS(=O)(=O)CCCCS(=O)(=O)[N-]c2c[nH]cn2)C1 ZINC000564739427 650766385 /nfs/dbraw/zinc/76/63/85/650766385.db2.gz BIYPTAUJSWXCRV-OLZOCXBDSA-N -1 1 378.520 1.430 20 0 GDADMM CO[C@@H]1COC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000566667241 650862290 /nfs/dbraw/zinc/86/22/90/650862290.db2.gz LQXXVHUVOWNWRF-VHSXEESVSA-N -1 1 388.642 1.934 20 0 GDADMM CC[C@@H]1COCCN1C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000567004524 650879251 /nfs/dbraw/zinc/87/92/51/650879251.db2.gz WXWKBCANUKKEAZ-SNVBAGLBSA-N -1 1 381.281 1.909 20 0 GDADMM Cn1[n-]c(CN(CCc2ccc(Cl)cc2)C[C@@H](O)C(F)(F)F)nc1=O ZINC000567022198 650879812 /nfs/dbraw/zinc/87/98/12/650879812.db2.gz SUNCJTJMDVBHEH-GFCCVEGCSA-N -1 1 378.782 1.730 20 0 GDADMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NCC(N)=O)c2)c1 ZINC000008160611 644218487 /nfs/dbraw/zinc/21/84/87/644218487.db2.gz HFXVGPRRPOSNEQ-UHFFFAOYSA-N -1 1 381.841 1.664 20 0 GDADMM COC(=O)[C@H](F)C(Nc1ccc(C)c(Cl)c1)=C1C(=O)[N-]C(=S)NC1=O ZINC000009771493 644222209 /nfs/dbraw/zinc/22/22/09/644222209.db2.gz WFEMLTOHNWEOKP-SNVBAGLBSA-N -1 1 385.804 1.356 20 0 GDADMM CC(Nc1cccc(I)c1)=C1C(=O)[N-]C(=S)NC1=O ZINC000009780096 644222364 /nfs/dbraw/zinc/22/23/64/644222364.db2.gz VUPUKQNWKILSFU-UHFFFAOYSA-N -1 1 387.202 1.508 20 0 GDADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2cc(Br)cn2C)cc1 ZINC000016164935 644246906 /nfs/dbraw/zinc/24/69/06/644246906.db2.gz GVCDBECKWDHXBV-UHFFFAOYSA-N -1 1 395.209 1.910 20 0 GDADMM O=C(C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])NCc1ccccc1 ZINC000030445458 644304615 /nfs/dbraw/zinc/30/46/15/644304615.db2.gz LZOXJHLMSVQMFQ-UHFFFAOYSA-N -1 1 383.813 1.843 20 0 GDADMM COC(=O)[C@H](F)C[N-]S(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000916260419 660189816 /nfs/dbraw/zinc/18/98/16/660189816.db2.gz IGNPVXWHLVXWJB-SECBINFHSA-N -1 1 398.206 1.108 20 0 GDADMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc(S(=O)(=O)N(C)CC)cc2)c1C ZINC000567521330 650909344 /nfs/dbraw/zinc/90/93/44/650909344.db2.gz ZSXJLKYKWGJVTN-UHFFFAOYSA-N -1 1 386.499 1.722 20 0 GDADMM C[C@H](CN1CCCC1=O)[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000041066437 644324156 /nfs/dbraw/zinc/32/41/56/644324156.db2.gz RNPRFIQRCZZJNF-MRVPVSSYSA-N -1 1 396.694 1.787 20 0 GDADMM CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)[N-]NC(=S)NC(C)(C)C)c1 ZINC000047683828 644376809 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ZINC000889198979 657983523 /nfs/dbraw/zinc/98/35/23/657983523.db2.gz MBMVHSQCTPFDSI-VXGBXAGGSA-N -1 1 397.280 1.192 20 0 GDADMM COc1cnc([C@@H]2CCCN2C(=O)Cc2c(Br)cnn2C)[n-]c1=O ZINC000889787104 658038759 /nfs/dbraw/zinc/03/87/59/658038759.db2.gz QCLOIHHEWHTZTP-JTQLQIEISA-N -1 1 396.245 1.593 20 0 GDADMM Cn1ncc(I)c1C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC000891615487 658255627 /nfs/dbraw/zinc/25/56/27/658255627.db2.gz SVIDTPRJCMDDKG-UHFFFAOYSA-N -1 1 399.192 1.651 20 0 GDADMM O=S(=O)(NCCNCc1ncc(Br)cc1[O-])c1cccs1 ZINC000893203098 658384966 /nfs/dbraw/zinc/38/49/66/658384966.db2.gz TYLGQURJQDNVTG-UHFFFAOYSA-N -1 1 392.300 1.679 20 0 GDADMM CO[C@]1(C(=O)Nc2cc(C)cc(Br)c2[O-])CCS(=O)(=O)C1 ZINC000897330689 658843251 /nfs/dbraw/zinc/84/32/51/658843251.db2.gz CDBFDMXIWROJTE-CYBMUJFWSA-N -1 1 378.244 1.605 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cnc(I)c(O)c2)C[C@H]1C(=O)[O-] ZINC000901693652 659228650 /nfs/dbraw/zinc/22/86/50/659228650.db2.gz DHBAGRQYQUUWLM-VXNVDRBHSA-N -1 1 390.177 1.575 20 0 GDADMM CCn1cc(Cl)c([N-]S(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)n1 ZINC000901713947 659230202 /nfs/dbraw/zinc/23/02/02/659230202.db2.gz MKIPAJBPEOIWQE-UHFFFAOYSA-N -1 1 381.838 1.900 20 0 GDADMM CC[C@@H](C)[C@@H](C(=O)[O-])N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 ZINC000903595559 659357962 /nfs/dbraw/zinc/35/79/62/659357962.db2.gz LUQMRZKPHCJYSD-ZBFHGGJFSA-N -1 1 375.535 1.613 20 0 GDADMM O=C1CCCN1c1ccc([N-]S(=O)(=O)N=S2(=O)CCCC2)cc1F ZINC000905096133 659423208 /nfs/dbraw/zinc/42/32/08/659423208.db2.gz RZOKAIBVFDCMCM-UHFFFAOYSA-N -1 1 375.447 1.871 20 0 GDADMM O=c1ccccn1-c1ccc([N-]S(=O)(=O)N=S2(=O)CCCC2)c(F)c1 ZINC000905104945 659424430 /nfs/dbraw/zinc/42/44/30/659424430.db2.gz PMPSMFIPVDLVGN-UHFFFAOYSA-N -1 1 385.442 1.895 20 0 GDADMM Cc1cc(OCC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)ccc1Br ZINC000906615644 659560887 /nfs/dbraw/zinc/56/08/87/659560887.db2.gz JAXRXMWUTLDQRU-GFCCVEGCSA-N -1 1 382.218 1.250 20 0 GDADMM CC(C)n1c([S-])nnc1CNC(=O)c1cccn(CC(F)(F)F)c1=O ZINC000906623770 659562000 /nfs/dbraw/zinc/56/20/00/659562000.db2.gz DDWKUZCIJHIXSN-UHFFFAOYSA-N -1 1 375.376 1.802 20 0 GDADMM CC(C)n1cc(Br)c(C(=O)N2CCSC[C@H]2c2nn[n-]n2)n1 ZINC000907474260 659758802 /nfs/dbraw/zinc/75/88/02/659758802.db2.gz FOCABOJQFGRTFS-VIFPVBQESA-N -1 1 386.279 1.670 20 0 GDADMM O=C(CCc1cc(Br)ccc1F)N1CCC(O)(c2nn[n-]n2)CC1 ZINC000907944613 659847456 /nfs/dbraw/zinc/84/74/56/659847456.db2.gz XKAMMOHELGHYJX-UHFFFAOYSA-N -1 1 398.236 1.544 20 0 GDADMM Cn1nnnc1CCC[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000908088251 659867418 /nfs/dbraw/zinc/86/74/18/659867418.db2.gz PDBUQCNKBYVEHR-UHFFFAOYSA-N -1 1 383.783 1.793 20 0 GDADMM COC(=O)C1CC2(C1)C[C@H]([N-]S(=O)(=O)c1cc(C)ns1)CCS2 ZINC000908262111 659889900 /nfs/dbraw/zinc/88/99/00/659889900.db2.gz ZSRBJDMINMURGH-IQLKVPPVSA-N -1 1 376.525 1.947 20 0 GDADMM COC(=O)[C@@](C)(Cn1cccn1)[N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000908397063 659903659 /nfs/dbraw/zinc/90/36/59/659903659.db2.gz PYAWSOBKXXBJHA-OAHLLOKOSA-N -1 1 389.836 1.727 20 0 GDADMM CS(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc([O-])c2Br)C1 ZINC000908710345 659930386 /nfs/dbraw/zinc/93/03/86/659930386.db2.gz JUQOFTBFEURZOB-VIFPVBQESA-N -1 1 377.260 1.765 20 0 GDADMM O=C(CSCC(=O)N1CCOCC1)Nc1cccc([O-])c1Br ZINC000908716106 659930620 /nfs/dbraw/zinc/93/06/20/659930620.db2.gz ZVFNAQUDFDFVGT-UHFFFAOYSA-N -1 1 389.271 1.685 20 0 GDADMM O=C([O-])[C@@H]1CCCN(CC(=O)NCCc2ccc(Br)s2)C1 ZINC000908759256 659931555 /nfs/dbraw/zinc/93/15/55/659931555.db2.gz CLYMCNPQDHBTGX-SNVBAGLBSA-N -1 1 375.288 1.966 20 0 GDADMM CN1CCN(C)[C@H](CNC(=O)N[C@@H](C(=O)[O-])c2ccccc2Br)C1 ZINC000908986793 659937733 /nfs/dbraw/zinc/93/77/33/659937733.db2.gz PMOWKZLLIVSNBL-BXUZGUMPSA-N -1 1 399.289 1.120 20 0 GDADMM O=C([O-])[C@@]1(NC(=O)Cc2cnc[nH]2)CCc2cc(Br)ccc2C1 ZINC000910230003 659966393 /nfs/dbraw/zinc/96/63/93/659966393.db2.gz USQLJFVAFHIRQN-MRXNPFEDSA-N -1 1 378.226 1.843 20 0 GDADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](c1nccs1)c1ccccc1 ZINC000912540956 660041927 /nfs/dbraw/zinc/04/19/27/660041927.db2.gz AJTUDYPWSNVJRZ-LBPRGKRZSA-N -1 1 378.435 1.721 20 0 GDADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]Cc1ccc(Br)c(F)c1 ZINC000912544988 660042044 /nfs/dbraw/zinc/04/20/44/660042044.db2.gz STSWHOQTWHWOOO-UHFFFAOYSA-N -1 1 392.206 1.576 20 0 GDADMM CN(C(=O)[C@@H](NCC(F)(F)F)c1cc(Br)cs1)c1nn[n-]n1 ZINC000912616312 660045710 /nfs/dbraw/zinc/04/57/10/660045710.db2.gz AURXBEUUFBQHTR-ZETCQYMHSA-N -1 1 399.196 1.880 20 0 GDADMM CN=[S@@](C)(=O)CCNC(=O)c1ccc(I)cc1[O-] ZINC000912779846 660053144 /nfs/dbraw/zinc/05/31/44/660053144.db2.gz KXLNOUZCVDSUJM-SFHVURJKSA-N -1 1 382.223 1.454 20 0 GDADMM C[C@@H](Cc1ccc(Br)cc1)C(=O)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913495398 660083004 /nfs/dbraw/zinc/08/30/04/660083004.db2.gz JPELUCWDUNFVGR-GWCFXTLKSA-N -1 1 380.246 1.741 20 0 GDADMM O=C(CCc1nc2cc(Cl)ccc2s1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913495253 660083107 /nfs/dbraw/zinc/08/31/07/660083107.db2.gz SWMBMVVXMDYOAM-LLVKDONJSA-N -1 1 378.845 1.996 20 0 GDADMM Cc1nc(-c2cccs2)c(CC(=O)N2CCOC[C@@H]2c2nn[n-]n2)s1 ZINC000913495060 660083155 /nfs/dbraw/zinc/08/31/55/660083155.db2.gz PYNHCEAYVWJNOK-SNVBAGLBSA-N -1 1 376.467 1.836 20 0 GDADMM O=C(CCCc1ccccc1Br)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913496010 660083373 /nfs/dbraw/zinc/08/33/73/660083373.db2.gz RCKCHBUHVPYPFE-CYBMUJFWSA-N -1 1 380.246 1.885 20 0 GDADMM C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913495473 660083455 /nfs/dbraw/zinc/08/34/55/660083455.db2.gz KULFCWMRMYDYBQ-ZANVPECISA-N -1 1 398.236 1.880 20 0 GDADMM O=C(COc1ccc(F)cc1Br)N1CCC(c2nn[n-]n2)CC1 ZINC000913742335 660095007 /nfs/dbraw/zinc/09/50/07/660095007.db2.gz VVFPYOFVQTVUBS-UHFFFAOYSA-N -1 1 384.209 1.886 20 0 GDADMM COc1nn2cc(Br)cnc2c1S(=O)(=O)[N-][C@@H](C)C(C)C ZINC000913835868 660099336 /nfs/dbraw/zinc/09/93/36/660099336.db2.gz ZEOPDVMZABSNSR-QMMMGPOBSA-N -1 1 377.264 1.823 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2CCCCNC2=O)c1F ZINC000913910606 660104299 /nfs/dbraw/zinc/10/42/99/660104299.db2.gz FOJCDCQOBKABTC-VIFPVBQESA-N -1 1 395.250 1.544 20 0 GDADMM CC[S@@](=O)CC[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000914089797 660115282 /nfs/dbraw/zinc/11/52/82/660115282.db2.gz QOXHZYUBJIOQTN-LJQANCHMSA-N -1 1 388.280 1.644 20 0 GDADMM CNC(=O)C(C)(C)C[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000914272634 660134501 /nfs/dbraw/zinc/13/45/01/660134501.db2.gz JKVUFMWTCLXZKO-UHFFFAOYSA-N -1 1 397.266 1.647 20 0 GDADMM O=C1CC[C@@H]([N-]S(=O)(=O)c2cc(Br)cnc2Cl)CCN1 ZINC000396742156 677678265 /nfs/dbraw/zinc/67/82/65/677678265.db2.gz SDSAQDQWAWIRJN-MRVPVSSYSA-N -1 1 382.667 1.445 20 0 GDADMM O=C1CC[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCN1 ZINC000396742084 677678285 /nfs/dbraw/zinc/67/82/85/677678285.db2.gz SDAWDRDQIZBNAA-SECBINFHSA-N -1 1 392.231 1.304 20 0 GDADMM CCCc1cc(=O)n2[n-]c(NC(=O)c3ccc(Br)s3)nc2n1 ZINC000588744215 677678776 /nfs/dbraw/zinc/67/87/76/677678776.db2.gz IQNKLZNFSDMAPV-UHFFFAOYSA-N -1 1 382.243 1.868 20 0 GDADMM Nc1n[nH]c(CCCNC(=S)N[C@H]2CCOc3ccccc32)c1-c1nnn[n-]1 ZINC000737769242 945122108 /nfs/dbraw/zinc/12/21/08/945122108.db2.gz IHEOFZVRXCXZJG-NSHDSACASA-N -1 1 399.484 1.093 20 0 GDADMM Nc1n[nH]c(CCCNC(=S)N[C@H]2CCOc3ccccc32)c1-c1nn[n-]n1 ZINC000737769242 945122116 /nfs/dbraw/zinc/12/21/16/945122116.db2.gz IHEOFZVRXCXZJG-NSHDSACASA-N -1 1 399.484 1.093 20 0 GDADMM CN1CCN(c2ncccc2CNC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)CC1 ZINC000908898567 939347163 /nfs/dbraw/zinc/34/71/63/939347163.db2.gz KGVCTLBKYQUUOB-OAQYLSRUSA-N -1 1 397.479 1.633 20 0 GDADMM CO[C@@H]1CCC[C@H]([C@@H](NC(=O)c2cccc(N3CCN(C)CC3)n2)C(=O)[O-])C1 ZINC000909910648 939741744 /nfs/dbraw/zinc/74/17/44/939741744.db2.gz BAXSQGKUIORHBE-HDMKZQKVSA-N -1 1 390.484 1.222 20 0 GDADMM O=C([O-])C1(NC(=O)N[C@@H]2CCCN3CCSC[C@@H]23)Cc2ccccc2C1 ZINC001119642965 939815549 /nfs/dbraw/zinc/81/55/49/939815549.db2.gz IVNFOLHASLWWRL-CVEARBPZSA-N -1 1 375.494 1.488 20 0 GDADMM O=C([O-])[C@@H]1CC(C(=O)N[C@@H](c2nnc[nH]2)c2ccccc2)=NN1c1ccccc1 ZINC001611328860 970994511 /nfs/dbraw/zinc/99/45/11/970994511.db2.gz PAYQXQCHWQYSHV-DLBZAZTESA-N -1 1 390.403 1.730 20 0 GDADMM O=C([O-])CC[C@@H]1CCCN(CC(=O)NCc2cccc(C(=O)NC3CC3)c2)C1 ZINC001601976433 971099406 /nfs/dbraw/zinc/09/94/06/971099406.db2.gz ADRJZSDNWYRPOD-HNNXBMFYSA-N -1 1 387.480 1.772 20 0 GDADMM CNC(=O)Cc1ccc([N-]S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)cc1 ZINC000736879659 944906027 /nfs/dbraw/zinc/90/60/27/944906027.db2.gz YFKHESCMIUGTHZ-UHFFFAOYSA-N -1 1 386.437 1.264 20 0 GDADMM CN(C[C@@H]1CCCCN1C(=O)c1cscn1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571261215 945424433 /nfs/dbraw/zinc/42/44/33/945424433.db2.gz BQVHRANELLNQQD-NSHDSACASA-N -1 1 385.457 1.244 20 0 GDADMM CN(C[C@@H]1CCCCN1C(=O)c1cscn1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571261215 945424436 /nfs/dbraw/zinc/42/44/36/945424436.db2.gz BQVHRANELLNQQD-NSHDSACASA-N -1 1 385.457 1.244 20 0 GDADMM C[C@H](Nc1nccnc1-c1nnn[n-]1)C1CCN(C(=O)c2nccs2)CC1 ZINC001571261359 945425009 /nfs/dbraw/zinc/42/50/09/945425009.db2.gz DFMLVFIYXKFZHL-JTQLQIEISA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)C1CCN(C(=O)c2nccs2)CC1 ZINC001571261359 945425013 /nfs/dbraw/zinc/42/50/13/945425013.db2.gz DFMLVFIYXKFZHL-JTQLQIEISA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CCN(C(=O)c2cncs2)CC1 ZINC001571261425 945428070 /nfs/dbraw/zinc/42/80/70/945428070.db2.gz FBUUCHQLQVLOQQ-SNVBAGLBSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CCN(C(=O)c2cncs2)CC1 ZINC001571261425 945428076 /nfs/dbraw/zinc/42/80/76/945428076.db2.gz FBUUCHQLQVLOQQ-SNVBAGLBSA-N -1 1 385.457 1.466 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](NC(=O)c3nccs3)[C@@H]2C)n1 ZINC001571261659 945429155 /nfs/dbraw/zinc/42/91/55/945429155.db2.gz HXMRKGAIQLOQML-QWRGUYRKSA-N -1 1 385.457 1.209 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](NC(=O)c3nccs3)[C@@H]2C)n1 ZINC001571261659 945429162 /nfs/dbraw/zinc/42/91/62/945429162.db2.gz HXMRKGAIQLOQML-QWRGUYRKSA-N -1 1 385.457 1.209 20 0 GDADMM C[C@]1(CNc2ccc(-c3nnn[n-]3)nn2)CCN(C(=O)Cc2cscn2)C1 ZINC001571262817 945443069 /nfs/dbraw/zinc/44/30/69/945443069.db2.gz YXYRSKMQOHAVHA-MRXNPFEDSA-N -1 1 385.457 1.006 20 0 GDADMM C[C@]1(CNc2ccc(-c3nn[n-]n3)nn2)CCN(C(=O)Cc2cscn2)C1 ZINC001571262817 945443073 /nfs/dbraw/zinc/44/30/73/945443073.db2.gz YXYRSKMQOHAVHA-MRXNPFEDSA-N -1 1 385.457 1.006 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H](CN(C)c3nccnc3-c3nnn[n-]3)C2)ns1 ZINC001571262957 945446145 /nfs/dbraw/zinc/44/61/45/945446145.db2.gz CZBUQMZVBCJKKW-NSHDSACASA-N -1 1 385.457 1.020 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H](CN(C)c3nccnc3-c3nn[n-]n3)C2)ns1 ZINC001571262957 945446151 /nfs/dbraw/zinc/44/61/51/945446151.db2.gz CZBUQMZVBCJKKW-NSHDSACASA-N -1 1 385.457 1.020 20 0 GDADMM Cc1ncsc1C(=O)N[C@@H]1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571262979 945448162 /nfs/dbraw/zinc/44/81/62/945448162.db2.gz DTKBOTUWYCNTNQ-GHMZBOCLSA-N -1 1 385.457 1.575 20 0 GDADMM Cc1ncsc1C(=O)N[C@@H]1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571262979 945448167 /nfs/dbraw/zinc/44/81/67/945448167.db2.gz DTKBOTUWYCNTNQ-GHMZBOCLSA-N -1 1 385.457 1.575 20 0 GDADMM Cc1nscc1C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)[C@H]1C ZINC001571262972 945448366 /nfs/dbraw/zinc/44/83/66/945448366.db2.gz DPEGMTFCUDCMAZ-CMPLNLGQSA-N -1 1 385.457 1.209 20 0 GDADMM Cc1nscc1C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)[C@H]1C ZINC001571262972 945448373 /nfs/dbraw/zinc/44/83/73/945448373.db2.gz DPEGMTFCUDCMAZ-CMPLNLGQSA-N -1 1 385.457 1.209 20 0 GDADMM Cc1ncc(C(=O)N2CC[C@@H]([C@H](C)Nc3cnc(-c4nnn[n-]4)cn3)C2)s1 ZINC001571263135 945451068 /nfs/dbraw/zinc/45/10/68/945451068.db2.gz IKPQKCXUGUITBE-GXSJLCMTSA-N -1 1 385.457 1.384 20 0 GDADMM Cc1ncc(C(=O)N2CC[C@@H]([C@H](C)Nc3cnc(-c4nn[n-]n4)cn3)C2)s1 ZINC001571263135 945451076 /nfs/dbraw/zinc/45/10/76/945451076.db2.gz IKPQKCXUGUITBE-GXSJLCMTSA-N -1 1 385.457 1.384 20 0 GDADMM Cc1nsc(NC[C@H]2CCCN2C(=O)c2cc(C)ncn2)c1-c1nn[n-]n1 ZINC001571263884 945469341 /nfs/dbraw/zinc/46/93/41/945469341.db2.gz ZCHKEQFNZKDXAD-LLVKDONJSA-N -1 1 385.457 1.447 20 0 GDADMM O=C(NC1CC(CNc2cnc(-c3nnn[n-]3)cn2)C1)c1cc(F)ccc1F ZINC001571267288 945566411 /nfs/dbraw/zinc/56/64/11/945566411.db2.gz PMQDPWQEEIGFCK-UHFFFAOYSA-N -1 1 386.366 1.555 20 0 GDADMM O=C(NC1CC(CNc2cnc(-c3nn[n-]n3)cn2)C1)c1cc(F)ccc1F ZINC001571267288 945566418 /nfs/dbraw/zinc/56/64/18/945566418.db2.gz PMQDPWQEEIGFCK-UHFFFAOYSA-N -1 1 386.366 1.555 20 0 GDADMM CN(C(=O)c1cc(F)cc(F)c1)C1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571267349 945566875 /nfs/dbraw/zinc/56/68/75/945566875.db2.gz RMBYMERCGXVLEX-UHFFFAOYSA-N -1 1 386.366 1.650 20 0 GDADMM CN(C(=O)c1cc(F)cc(F)c1)C1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571267349 945566880 /nfs/dbraw/zinc/56/68/80/945566880.db2.gz RMBYMERCGXVLEX-UHFFFAOYSA-N -1 1 386.366 1.650 20 0 GDADMM O=C(c1ccc(F)cc1F)N1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571267599 945573861 /nfs/dbraw/zinc/57/38/61/945573861.db2.gz ZMQFRGDAVVXDRJ-JTQLQIEISA-N -1 1 386.366 1.509 20 0 GDADMM O=C(c1ccc(F)cc1F)N1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571267599 945573865 /nfs/dbraw/zinc/57/38/65/945573865.db2.gz ZMQFRGDAVVXDRJ-JTQLQIEISA-N -1 1 386.366 1.509 20 0 GDADMM O=C(N1CCC[C@H]2[C@H]1CCN2c1nccnc1-c1nnn[n-]1)C1(F)CCCC1 ZINC001571268405 945596442 /nfs/dbraw/zinc/59/64/42/945596442.db2.gz FXPDCGIGCBNACF-QWHCGFSZSA-N -1 1 386.435 1.509 20 0 GDADMM O=C(N1CCC[C@H]2[C@H]1CCN2c1nccnc1-c1nn[n-]n1)C1(F)CCCC1 ZINC001571268405 945596449 /nfs/dbraw/zinc/59/64/49/945596449.db2.gz FXPDCGIGCBNACF-QWHCGFSZSA-N -1 1 386.435 1.509 20 0 GDADMM C[C@H]1CN(C(=O)COc2ccsc2)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571269832 945624704 /nfs/dbraw/zinc/62/47/04/945624704.db2.gz DRZXQRCMRVZZHN-GWCFXTLKSA-N -1 1 386.441 1.056 20 0 GDADMM C[C@H]1CN(C(=O)COc2ccsc2)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571269832 945624712 /nfs/dbraw/zinc/62/47/12/945624712.db2.gz DRZXQRCMRVZZHN-GWCFXTLKSA-N -1 1 386.441 1.056 20 0 GDADMM O=C(CCC1CCC1)N1CCCO[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571272385 945661528 /nfs/dbraw/zinc/66/15/28/945661528.db2.gz CLOXVAAVSJGFHH-AWEZNQCLSA-N -1 1 386.460 1.266 20 0 GDADMM O=C(CCC1CCC1)N1CCCO[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571272385 945661530 /nfs/dbraw/zinc/66/15/30/945661530.db2.gz CLOXVAAVSJGFHH-AWEZNQCLSA-N -1 1 386.460 1.266 20 0 GDADMM CO[C@@H](C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)C1CCCCC1 ZINC001571272834 945672097 /nfs/dbraw/zinc/67/20/97/945672097.db2.gz JFMZFDDBBDEPCY-DZGCQCFKSA-N -1 1 386.460 1.265 20 0 GDADMM CO[C@@H](C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)C1CCCCC1 ZINC001571272834 945672102 /nfs/dbraw/zinc/67/21/02/945672102.db2.gz JFMZFDDBBDEPCY-DZGCQCFKSA-N -1 1 386.460 1.265 20 0 GDADMM O=C([C@@H]1CCCOCC1)N1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571272939 945675860 /nfs/dbraw/zinc/67/58/60/945675860.db2.gz LIPBPPFCNKFROP-ZIAGYGMSSA-N -1 1 386.460 1.266 20 0 GDADMM O=C([C@@H]1CCCOCC1)N1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571272939 945675867 /nfs/dbraw/zinc/67/58/67/945675867.db2.gz LIPBPPFCNKFROP-ZIAGYGMSSA-N -1 1 386.460 1.266 20 0 GDADMM CO[C@H](C(=O)N1CCC([C@@H](C)Nc2nccnc2-c2nnn[n-]2)CC1)C1CC1 ZINC001571273074 945678350 /nfs/dbraw/zinc/67/83/50/945678350.db2.gz ONPQQEBGFLMVHD-ABAIWWIYSA-N -1 1 386.460 1.121 20 0 GDADMM CO[C@H](C(=O)N1CCC([C@@H](C)Nc2nccnc2-c2nn[n-]n2)CC1)C1CC1 ZINC001571273074 945678354 /nfs/dbraw/zinc/67/83/54/945678354.db2.gz ONPQQEBGFLMVHD-ABAIWWIYSA-N -1 1 386.460 1.121 20 0 GDADMM O=C(C[C@H]1CCCOC1)N[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571273547 945690387 /nfs/dbraw/zinc/69/03/87/945690387.db2.gz ZRRAPOOZUCEPGK-MGPQQGTHSA-N -1 1 386.460 1.313 20 0 GDADMM O=C(C[C@H]1CCCOC1)N[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571273547 945690391 /nfs/dbraw/zinc/69/03/91/945690391.db2.gz ZRRAPOOZUCEPGK-MGPQQGTHSA-N -1 1 386.460 1.313 20 0 GDADMM O=C(c1occc1Cl)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001571274596 945696625 /nfs/dbraw/zinc/69/66/25/945696625.db2.gz IJFSPRGXZDKRJD-JOYOIKCWSA-N -1 1 386.803 1.254 20 0 GDADMM O=C(c1occc1Cl)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001571274596 945696628 /nfs/dbraw/zinc/69/66/28/945696628.db2.gz IJFSPRGXZDKRJD-JOYOIKCWSA-N -1 1 386.803 1.254 20 0 GDADMM CC1(C)CO[C@@H](CC(=O)N2CCC(Nc3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001571275849 945716408 /nfs/dbraw/zinc/71/64/08/945716408.db2.gz DENHUUWKZSIHCA-ZDUSSCGKSA-N -1 1 386.460 1.265 20 0 GDADMM CC1(C)CO[C@@H](CC(=O)N2CCC(Nc3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001571275849 945716410 /nfs/dbraw/zinc/71/64/10/945716410.db2.gz DENHUUWKZSIHCA-ZDUSSCGKSA-N -1 1 386.460 1.265 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cncn1-c1ccccc1 ZINC000821600407 945737061 /nfs/dbraw/zinc/73/70/61/945737061.db2.gz LLGRAFOXHDSVAL-UHFFFAOYSA-N -1 1 392.427 1.063 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cncn1-c1ccccc1 ZINC000821600407 945737070 /nfs/dbraw/zinc/73/70/70/945737070.db2.gz LLGRAFOXHDSVAL-UHFFFAOYSA-N -1 1 392.427 1.063 20 0 GDADMM CC(=O)N1CCC([C@@H]2OCCC[C@H]2Nc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001571278629 945755762 /nfs/dbraw/zinc/75/57/62/945755762.db2.gz POOSOZMHAHELRP-ZBFHGGJFSA-N -1 1 386.460 1.183 20 0 GDADMM CC(=O)N1CCC([C@@H]2OCCC[C@H]2Nc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001571278629 945755767 /nfs/dbraw/zinc/75/57/67/945755767.db2.gz POOSOZMHAHELRP-ZBFHGGJFSA-N -1 1 386.460 1.183 20 0 GDADMM CC1(C)CN(C(=O)[C@H]2CCCOCC2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571278671 945758213 /nfs/dbraw/zinc/75/82/13/945758213.db2.gz QMYOVXWVCJEPLF-JSGCOSHPSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CN(C(=O)[C@H]2CCCOCC2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571278671 945758220 /nfs/dbraw/zinc/75/82/20/945758220.db2.gz QMYOVXWVCJEPLF-JSGCOSHPSA-N -1 1 386.460 1.122 20 0 GDADMM CNC(=O)c1ccc(CN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C2CC2)cc1 ZINC000821635321 945763778 /nfs/dbraw/zinc/76/37/78/945763778.db2.gz XGRJIFPKRHCKPX-UHFFFAOYSA-N -1 1 395.427 1.156 20 0 GDADMM CNC(=O)c1ccc(CN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C2CC2)cc1 ZINC000821635321 945763781 /nfs/dbraw/zinc/76/37/81/945763781.db2.gz XGRJIFPKRHCKPX-UHFFFAOYSA-N -1 1 395.427 1.156 20 0 GDADMM C[C@H](C(=O)NCc1ccnc(-c2nnn[n-]2)c1)N(C(=O)OC(C)(C)C)C1CC1 ZINC001571279149 945772006 /nfs/dbraw/zinc/77/20/06/945772006.db2.gz KBIXAMWUYGCZOC-LLVKDONJSA-N -1 1 387.444 1.666 20 0 GDADMM C[C@H](C(=O)NCc1ccnc(-c2nn[n-]n2)c1)N(C(=O)OC(C)(C)C)C1CC1 ZINC001571279149 945772014 /nfs/dbraw/zinc/77/20/14/945772014.db2.gz KBIXAMWUYGCZOC-LLVKDONJSA-N -1 1 387.444 1.666 20 0 GDADMM CC1(C)CC[C@@H](C(=O)N2CCO[C@H](CNc3nccnc3-c3nnn[n-]3)C2)C1 ZINC001571279373 945775361 /nfs/dbraw/zinc/77/53/61/945775361.db2.gz VYJQMAPUZLYNGG-CHWSQXEVSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CC[C@@H](C(=O)N2CCO[C@H](CNc3nccnc3-c3nn[n-]n3)C2)C1 ZINC001571279373 945775364 /nfs/dbraw/zinc/77/53/64/945775364.db2.gz VYJQMAPUZLYNGG-CHWSQXEVSA-N -1 1 386.460 1.122 20 0 GDADMM COC(=O)CC1(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)CCC1 ZINC000821658577 945781186 /nfs/dbraw/zinc/78/11/86/945781186.db2.gz AYAGUIQLORVHFK-UHFFFAOYSA-N -1 1 388.428 1.119 20 0 GDADMM CC(=O)N1Cc2ccc(NC(=O)c3[nH]c(=O)c(-c4nn[n-]n4)cc3C)cc2C1 ZINC001573452075 945844985 /nfs/dbraw/zinc/84/49/85/945844985.db2.gz AKUSTKKFQRBCLH-UHFFFAOYSA-N -1 1 379.380 1.390 20 0 GDADMM CC1(C)CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1NC(=O)c1cc(Cl)c[nH]1 ZINC001571285183 945910671 /nfs/dbraw/zinc/91/06/71/945910671.db2.gz ZDEWKNAOWHWSOS-LBPRGKRZSA-N -1 1 387.835 1.283 20 0 GDADMM CC1(C)CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1NC(=O)c1cc(Cl)c[nH]1 ZINC001571285183 945910679 /nfs/dbraw/zinc/91/06/79/945910679.db2.gz ZDEWKNAOWHWSOS-LBPRGKRZSA-N -1 1 387.835 1.283 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC2(C1)CCOCC2 ZINC000822004441 945917397 /nfs/dbraw/zinc/91/73/97/945917397.db2.gz HEUOWZWNAIGYBI-UHFFFAOYSA-N -1 1 386.456 1.546 20 0 GDADMM Cn1cc(Cl)cc1C(=O)N[C@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571285441 945918569 /nfs/dbraw/zinc/91/85/69/945918569.db2.gz DQCWDPQFXVXZSN-MRXNPFEDSA-N -1 1 387.835 1.047 20 0 GDADMM Cn1cc(Cl)cc1C(=O)N[C@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571285441 945918577 /nfs/dbraw/zinc/91/85/77/945918577.db2.gz DQCWDPQFXVXZSN-MRXNPFEDSA-N -1 1 387.835 1.047 20 0 GDADMM O=S1(=O)CCC[C@@]2(C(F)(F)F)CN(c3ccnc(-c4nnn[n-]4)c3)C[C@H]21 ZINC001571286147 945937550 /nfs/dbraw/zinc/93/75/50/945937550.db2.gz ZKBYJWQHVBQIPI-DGCLKSJQSA-N -1 1 388.375 1.208 20 0 GDADMM O=S1(=O)CCC[C@@]2(C(F)(F)F)CN(c3ccnc(-c4nn[n-]n4)c3)C[C@H]21 ZINC001571286147 945937556 /nfs/dbraw/zinc/93/75/56/945937556.db2.gz ZKBYJWQHVBQIPI-DGCLKSJQSA-N -1 1 388.375 1.208 20 0 GDADMM C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001571286280 945942677 /nfs/dbraw/zinc/94/26/77/945942677.db2.gz DDHCVDHMRVSRLK-GHMZBOCLSA-N -1 1 388.432 1.781 20 0 GDADMM C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001571286280 945942684 /nfs/dbraw/zinc/94/26/84/945942684.db2.gz DDHCVDHMRVSRLK-GHMZBOCLSA-N -1 1 388.432 1.781 20 0 GDADMM C[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1sccc1F ZINC001571286637 945952878 /nfs/dbraw/zinc/95/28/78/945952878.db2.gz NGBXWKQPZFYXSL-UWVGGRQHSA-N -1 1 388.432 1.384 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC2CC(N(C)C(=O)c3sccc3F)C2)n1 ZINC001571286815 945960356 /nfs/dbraw/zinc/96/03/56/945960356.db2.gz SFQBAOPUYZYHTG-UHFFFAOYSA-N -1 1 388.432 1.881 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC2CC(N(C)C(=O)c3sccc3F)C2)n1 ZINC001571286815 945960365 /nfs/dbraw/zinc/96/03/65/945960365.db2.gz SFQBAOPUYZYHTG-UHFFFAOYSA-N -1 1 388.432 1.881 20 0 GDADMM Cc1nc(C)c(C(=O)N2CCC[C@@H](Nc3snc(C)c3-c3nn[n-]n3)C2)o1 ZINC001571289456 946006068 /nfs/dbraw/zinc/00/60/68/946006068.db2.gz DZQMVMAUAYPIFM-LLVKDONJSA-N -1 1 388.457 1.953 20 0 GDADMM Cc1nc(C(=O)N[C@@H]2CC[C@@H](C)N(c3snc(C)c3-c3nn[n-]n3)C2)co1 ZINC001571289417 946007607 /nfs/dbraw/zinc/00/76/07/946007607.db2.gz CKWJVQGKZNBMST-LDYMZIIASA-N -1 1 388.457 1.715 20 0 GDADMM Cc1nsc(NC[C@H]2CC[C@@H](NC(=O)Cc3ccon3)C2)c1-c1nn[n-]n1 ZINC001571289447 946007633 /nfs/dbraw/zinc/00/76/33/946007633.db2.gz DSZBFOIRSREDJP-WDEREUQCSA-N -1 1 388.457 1.559 20 0 GDADMM CCO[C@@H]1CN(C(=O)[C@@H](C)C(C)C)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571289629 946013005 /nfs/dbraw/zinc/01/30/05/946013005.db2.gz IXQCZRMZSJTNDC-GZBFAFLISA-N -1 1 388.476 1.224 20 0 GDADMM CCO[C@@H]1CN(C(=O)[C@@H](C)C(C)C)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571289629 946013010 /nfs/dbraw/zinc/01/30/10/946013010.db2.gz IXQCZRMZSJTNDC-GZBFAFLISA-N -1 1 388.476 1.224 20 0 GDADMM CN(c1nccnc1-c1nnn[n-]1)C1CCN(C(=O)[C@H]2CCC[C@H](F)C2)CC1 ZINC001571289986 946024923 /nfs/dbraw/zinc/02/49/23/946024923.db2.gz RTSXXNLCWCRJFO-STQMWFEESA-N -1 1 388.451 1.612 20 0 GDADMM CN(c1nccnc1-c1nn[n-]n1)C1CCN(C(=O)[C@H]2CCC[C@H](F)C2)CC1 ZINC001571289986 946024934 /nfs/dbraw/zinc/02/49/34/946024934.db2.gz RTSXXNLCWCRJFO-STQMWFEESA-N -1 1 388.451 1.612 20 0 GDADMM O=C(N[C@H]1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1occc1Cl ZINC001571290372 946038585 /nfs/dbraw/zinc/03/85/85/946038585.db2.gz CJNZMDVOUMREDE-UWVGGRQHSA-N -1 1 388.819 1.478 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCCn1cccc1 ZINC000822458969 946094348 /nfs/dbraw/zinc/09/43/48/946094348.db2.gz LCZOTFWRQVDGEO-UHFFFAOYSA-N -1 1 379.428 1.077 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCCn1cccc1 ZINC000822458969 946094359 /nfs/dbraw/zinc/09/43/59/946094359.db2.gz LCZOTFWRQVDGEO-UHFFFAOYSA-N -1 1 379.428 1.077 20 0 GDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)[C@H]1CCS(=O)(=O)c2ccccc21 ZINC001571293606 946111164 /nfs/dbraw/zinc/11/11/64/946111164.db2.gz MLCOKJFEQIGKFC-LBPRGKRZSA-N -1 1 389.462 1.506 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)[C@H]2CC2(F)F)CCN1c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001571294476 946137040 /nfs/dbraw/zinc/13/70/40/946137040.db2.gz IKBMDJVDKIXAIT-QYNIQEEDSA-N -1 1 389.819 1.715 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)[C@H]2CC2(F)F)CCN1c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001571294476 946137042 /nfs/dbraw/zinc/13/70/42/946137042.db2.gz IKBMDJVDKIXAIT-QYNIQEEDSA-N -1 1 389.819 1.715 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)n1 ZINC000822608842 946138329 /nfs/dbraw/zinc/13/83/29/946138329.db2.gz IAZWSUPVVXWOIO-CYBMUJFWSA-N -1 1 390.354 1.484 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)n1 ZINC000822608842 946138337 /nfs/dbraw/zinc/13/83/37/946138337.db2.gz IAZWSUPVVXWOIO-CYBMUJFWSA-N -1 1 390.354 1.484 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2nc(-c3nn[n-]n3)c(Cl)s2)C1)[C@H]1CC1(F)F ZINC001571294670 946141200 /nfs/dbraw/zinc/14/12/00/946141200.db2.gz LLEGTHBJGUWTAD-FSDSQADBSA-N -1 1 389.819 1.939 20 0 GDADMM O=C(N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C1(Cc2ccccc2)CC1 ZINC001571297998 946203899 /nfs/dbraw/zinc/20/38/99/946203899.db2.gz GOVVRJFCZVVSKQ-UHFFFAOYSA-N -1 1 390.451 1.328 20 0 GDADMM O=C(N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C1(Cc2ccccc2)CC1 ZINC001571297998 946203908 /nfs/dbraw/zinc/20/39/08/946203908.db2.gz GOVVRJFCZVVSKQ-UHFFFAOYSA-N -1 1 390.451 1.328 20 0 GDADMM O=C(Cc1cccc(C2CC2)c1)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571298052 946204428 /nfs/dbraw/zinc/20/44/28/946204428.db2.gz IKPYAMNUKGYTJE-INIZCTEOSA-N -1 1 390.451 1.790 20 0 GDADMM O=C(Cc1cccc(C2CC2)c1)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571298052 946204439 /nfs/dbraw/zinc/20/44/39/946204439.db2.gz IKPYAMNUKGYTJE-INIZCTEOSA-N -1 1 390.451 1.790 20 0 GDADMM Cc1ccc(C(=O)N[C@]23CCC[C@H]2CN(c2ccc(-c4nnn[n-]4)nn2)C3)cc1 ZINC001571298137 946205903 /nfs/dbraw/zinc/20/59/03/946205903.db2.gz ALCDPOMLVXTDPX-YWZLYKJASA-N -1 1 390.451 1.754 20 0 GDADMM Cc1ccc(C(=O)N[C@]23CCC[C@H]2CN(c2ccc(-c4nn[n-]n4)nn2)C3)cc1 ZINC001571298137 946205912 /nfs/dbraw/zinc/20/59/12/946205912.db2.gz ALCDPOMLVXTDPX-YWZLYKJASA-N -1 1 390.451 1.754 20 0 GDADMM Cc1cccc(C2(C(=O)N3CCN(c4cncc(-c5nnn[n-]5)n4)CC3)CC2)c1 ZINC001571298169 946207993 /nfs/dbraw/zinc/20/79/93/946207993.db2.gz BDCKPVKGLXNODA-UHFFFAOYSA-N -1 1 390.451 1.346 20 0 GDADMM Cc1cccc(C2(C(=O)N3CCN(c4cncc(-c5nn[n-]n5)n4)CC3)CC2)c1 ZINC001571298169 946208010 /nfs/dbraw/zinc/20/80/10/946208010.db2.gz BDCKPVKGLXNODA-UHFFFAOYSA-N -1 1 390.451 1.346 20 0 GDADMM O=C(NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)[C@H]1C[C@@H]1c1ccccc1 ZINC001571298466 946218917 /nfs/dbraw/zinc/21/89/17/946218917.db2.gz OMKVNRPZNGLVJA-MIGQKNRLSA-N -1 1 390.451 1.767 20 0 GDADMM O=C(NC[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)[C@H]1C[C@@H]1c1ccccc1 ZINC001571298466 946218928 /nfs/dbraw/zinc/21/89/28/946218928.db2.gz OMKVNRPZNGLVJA-MIGQKNRLSA-N -1 1 390.451 1.767 20 0 GDADMM O=C(C[C@H]1CCc2ccccc21)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571298462 946220293 /nfs/dbraw/zinc/22/02/93/946220293.db2.gz OIHKYABVFFKSID-HUUCEWRRSA-N -1 1 390.451 1.472 20 0 GDADMM O=C(C[C@H]1CCc2ccccc21)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571298462 946220300 /nfs/dbraw/zinc/22/03/00/946220300.db2.gz OIHKYABVFFKSID-HUUCEWRRSA-N -1 1 390.451 1.472 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@@H](C)C2)cc1 ZINC001571298705 946228039 /nfs/dbraw/zinc/22/80/39/946228039.db2.gz KHWSWPNOGDQOSQ-BBRMVZONSA-N -1 1 390.451 1.684 20 0 GDADMM Cc1nsc(N(C)C[C@H]2CCN(C(=O)c3cscn3)C2)c1-c1nn[n-]n1 ZINC001571299060 946237439 /nfs/dbraw/zinc/23/74/39/946237439.db2.gz UATUEGTZEWXWEH-SNVBAGLBSA-N -1 1 390.498 1.687 20 0 GDADMM C[C@@]1(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CCc2ccccc21 ZINC001571299411 946248261 /nfs/dbraw/zinc/24/82/61/946248261.db2.gz QFHRXWFQTJSSHO-JLTOFOAXSA-N -1 1 390.451 1.256 20 0 GDADMM C[C@@]1(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CCc2ccccc21 ZINC001571299411 946248273 /nfs/dbraw/zinc/24/82/73/946248273.db2.gz QFHRXWFQTJSSHO-JLTOFOAXSA-N -1 1 390.451 1.256 20 0 GDADMM CC(=O)N[C@@H](CC(=O)Nc1cccc(-c2nnn[n-]2)n1)c1c(F)cccc1F ZINC001573487342 946252523 /nfs/dbraw/zinc/25/25/23/946252523.db2.gz NLSQAWPPOOPIBF-ZDUSSCGKSA-N -1 1 387.350 1.746 20 0 GDADMM CC(=O)N[C@@H](CC(=O)Nc1cccc(-c2nn[n-]n2)n1)c1c(F)cccc1F ZINC001573487342 946252530 /nfs/dbraw/zinc/25/25/30/946252530.db2.gz NLSQAWPPOOPIBF-ZDUSSCGKSA-N -1 1 387.350 1.746 20 0 GDADMM Cc1cccc(C(=O)N[C@]23CCC[C@@H]2N(c2cnc(-c4nnn[n-]4)cn2)CC3)c1 ZINC001571299504 946253534 /nfs/dbraw/zinc/25/35/34/946253534.db2.gz SSIOLXDINXEURZ-JXFKEZNVSA-N -1 1 390.451 1.897 20 0 GDADMM Cc1cccc(C(=O)N[C@]23CCC[C@@H]2N(c2cnc(-c4nn[n-]n4)cn2)CC3)c1 ZINC001571299504 946253543 /nfs/dbraw/zinc/25/35/43/946253543.db2.gz SSIOLXDINXEURZ-JXFKEZNVSA-N -1 1 390.451 1.897 20 0 GDADMM C[C@@H]1CN(C(=O)c2csc(Cl)c2)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571299651 946257255 /nfs/dbraw/zinc/25/72/55/946257255.db2.gz OFBWWBVRVWEQKC-KCJUWKMLSA-N -1 1 390.860 1.944 20 0 GDADMM C[C@@H]1CN(C(=O)c2csc(Cl)c2)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571299651 946257267 /nfs/dbraw/zinc/25/72/67/946257267.db2.gz OFBWWBVRVWEQKC-KCJUWKMLSA-N -1 1 390.860 1.944 20 0 GDADMM O=C(C1Cc2ccccc2C1)N1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571299844 946263314 /nfs/dbraw/zinc/26/33/14/946263314.db2.gz WMIPEXLYCFDJLC-INIZCTEOSA-N -1 1 390.451 1.475 20 0 GDADMM O=C(C1Cc2ccccc2C1)N1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571299844 946263328 /nfs/dbraw/zinc/26/33/28/946263328.db2.gz WMIPEXLYCFDJLC-INIZCTEOSA-N -1 1 390.451 1.475 20 0 GDADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCCN(C(=O)[C@@H]2Cc3ccccc32)C1 ZINC001571300031 946270160 /nfs/dbraw/zinc/27/01/60/946270160.db2.gz YJHLCUGDPLDZOH-GOEBONIOSA-N -1 1 390.451 1.424 20 0 GDADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCCN(C(=O)[C@@H]2Cc3ccccc32)C1 ZINC001571300031 946270168 /nfs/dbraw/zinc/27/01/68/946270168.db2.gz YJHLCUGDPLDZOH-GOEBONIOSA-N -1 1 390.451 1.424 20 0 GDADMM Cc1ccc(C(=O)N[C@@]23CCC[C@H]2N(c2cnc(-c4nnn[n-]4)cn2)CC3)cn1 ZINC001571302528 946306119 /nfs/dbraw/zinc/30/61/19/946306119.db2.gz AEQZOFVNRFMODT-DNVCBOLYSA-N -1 1 391.439 1.292 20 0 GDADMM Cc1ccc(C(=O)N[C@@]23CCC[C@H]2N(c2cnc(-c4nn[n-]n4)cn2)CC3)cn1 ZINC001571302528 946306129 /nfs/dbraw/zinc/30/61/29/946306129.db2.gz AEQZOFVNRFMODT-DNVCBOLYSA-N -1 1 391.439 1.292 20 0 GDADMM CC(=O)N[C@@H]1C[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)Oc2ccccc21 ZINC001573495186 946308275 /nfs/dbraw/zinc/30/82/75/946308275.db2.gz OXYMYSCIXKDBBI-BEFAXECRSA-N -1 1 392.423 1.266 20 0 GDADMM CC(=O)N[C@@H]1C[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)Oc2ccccc21 ZINC001573495186 946308286 /nfs/dbraw/zinc/30/82/86/946308286.db2.gz OXYMYSCIXKDBBI-BEFAXECRSA-N -1 1 392.423 1.266 20 0 GDADMM O=C([C@@H]1C[C@H]1c1ccncc1)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571302556 946308593 /nfs/dbraw/zinc/30/85/93/946308593.db2.gz BEWDNMJRNJOIBZ-AEGPPILISA-N -1 1 391.439 1.116 20 0 GDADMM O=C([C@@H]1C[C@H]1c1ccncc1)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571302556 946308603 /nfs/dbraw/zinc/30/86/03/946308603.db2.gz BEWDNMJRNJOIBZ-AEGPPILISA-N -1 1 391.439 1.116 20 0 GDADMM O=C(N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C1(c2cccnc2)CC1 ZINC001571302683 946309425 /nfs/dbraw/zinc/30/94/25/946309425.db2.gz FRFTYFMKGRZGEA-ZDUSSCGKSA-N -1 1 391.439 1.044 20 0 GDADMM O=C(N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C1(c2cccnc2)CC1 ZINC001571302683 946309440 /nfs/dbraw/zinc/30/94/40/946309440.db2.gz FRFTYFMKGRZGEA-ZDUSSCGKSA-N -1 1 391.439 1.044 20 0 GDADMM O=C(c1cccnc1)N1CC[C@@]2(C1)CCCN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001571302666 946310801 /nfs/dbraw/zinc/31/08/01/946310801.db2.gz DXYRATHLDUKDFD-IBGZPJMESA-N -1 1 391.439 1.184 20 0 GDADMM O=C(c1cccnc1)N1CC[C@@]2(C1)CCCN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001571302666 946310809 /nfs/dbraw/zinc/31/08/09/946310809.db2.gz DXYRATHLDUKDFD-IBGZPJMESA-N -1 1 391.439 1.184 20 0 GDADMM O=C([C@@H]1C[C@H]1c1cccnc1)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571302694 946311523 /nfs/dbraw/zinc/31/15/23/946311523.db2.gz FZYNIDXYGPWVJV-VHDGCEQUSA-N -1 1 391.439 1.116 20 0 GDADMM O=C([C@@H]1C[C@H]1c1cccnc1)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571302694 946311539 /nfs/dbraw/zinc/31/15/39/946311539.db2.gz FZYNIDXYGPWVJV-VHDGCEQUSA-N -1 1 391.439 1.116 20 0 GDADMM Cc1cncc(C(=O)N[C@@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C23CCC3)c1 ZINC001571302896 946317255 /nfs/dbraw/zinc/31/72/55/946317255.db2.gz IODWGDAAICDCPA-LSDHHAIUSA-N -1 1 391.439 1.513 20 0 GDADMM Cc1cncc(C(=O)N[C@@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C23CCC3)c1 ZINC001571302896 946317266 /nfs/dbraw/zinc/31/72/66/946317266.db2.gz IODWGDAAICDCPA-LSDHHAIUSA-N -1 1 391.439 1.513 20 0 GDADMM Cc1nsc(NC2CCN(C(=O)[C@H]3CCCOCC3)CC2)c1-c1nn[n-]n1 ZINC001571305630 946370878 /nfs/dbraw/zinc/37/08/78/946370878.db2.gz HYCJNTKLIVRKGS-LBPRGKRZSA-N -1 1 391.501 1.851 20 0 GDADMM Cc1nsc(N2CCC[C@@H](NC(=O)c3cnns3)[C@@H]2C)c1-c1nn[n-]n1 ZINC001571305687 946373252 /nfs/dbraw/zinc/37/32/52/946373252.db2.gz JJGLQJNCAXXHEG-DTWKUNHWSA-N -1 1 391.486 1.270 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CCN(c3snc(Cl)c3-c3nnn[n-]3)C2)cnn1 ZINC001571305810 946376011 /nfs/dbraw/zinc/37/60/11/946376011.db2.gz KOIMMQQDFCXDRA-SECBINFHSA-N -1 1 391.848 1.084 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CCN(c3snc(Cl)c3-c3nn[n-]n3)C2)cnn1 ZINC001571305810 946376018 /nfs/dbraw/zinc/37/60/18/946376018.db2.gz KOIMMQQDFCXDRA-SECBINFHSA-N -1 1 391.848 1.084 20 0 GDADMM Cc1nsc(N(C)C[C@H]2CCN(C(=O)[C@@]3(C)CCOC3)C2)c1-c1nn[n-]n1 ZINC001571306086 946387062 /nfs/dbraw/zinc/38/70/62/946387062.db2.gz PGBQNDJHTVSYCE-PXAZEXFGSA-N -1 1 391.501 1.343 20 0 GDADMM Cc1nsc(N2CC[C@@H](N(C)C(=O)C[C@H]3CCCCO3)C2)c1-c1nn[n-]n1 ZINC001571306108 946388750 /nfs/dbraw/zinc/38/87/50/946388750.db2.gz POWULRIAKNWMFU-CHWSQXEVSA-N -1 1 391.501 1.628 20 0 GDADMM Cc1nsc(N2CCC[C@H](CNC(=O)c3cnsn3)C2)c1-c1nn[n-]n1 ZINC001571306369 946396827 /nfs/dbraw/zinc/39/68/27/946396827.db2.gz UKMZSCPBZNYCBU-SECBINFHSA-N -1 1 391.486 1.130 20 0 GDADMM O=C(NC1CC(CNc2nccnc2-c2nnn[n-]2)C1)c1ncc(Cl)s1 ZINC001571306558 946403983 /nfs/dbraw/zinc/40/39/83/946403983.db2.gz XIWWBXWCEONCJQ-UHFFFAOYSA-N -1 1 391.848 1.387 20 0 GDADMM O=C(NC1CC(CNc2nccnc2-c2nn[n-]n2)C1)c1ncc(Cl)s1 ZINC001571306558 946403991 /nfs/dbraw/zinc/40/39/91/946403991.db2.gz XIWWBXWCEONCJQ-UHFFFAOYSA-N -1 1 391.848 1.387 20 0 GDADMM O=C([C@@H]1CCCCC1(F)F)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571308611 946435981 /nfs/dbraw/zinc/43/59/81/946435981.db2.gz SINJAAVGUCVVRY-NEPJUHHUSA-N -1 1 392.414 1.885 20 0 GDADMM O=C([C@@H]1CCCCC1(F)F)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571308611 946435989 /nfs/dbraw/zinc/43/59/89/946435989.db2.gz SINJAAVGUCVVRY-NEPJUHHUSA-N -1 1 392.414 1.885 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1CNC(=O)[C@@H]1CCC(F)(F)C1 ZINC001571309112 946440207 /nfs/dbraw/zinc/44/02/07/946440207.db2.gz WSLGYUSMEDVRIY-IJLUTSLNSA-N -1 1 392.414 1.281 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1CNC(=O)[C@@H]1CCC(F)(F)C1 ZINC001571309112 946440212 /nfs/dbraw/zinc/44/02/12/946440212.db2.gz WSLGYUSMEDVRIY-IJLUTSLNSA-N -1 1 392.414 1.281 20 0 GDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CCN(C(=O)[C@H]2CCC2(F)F)CC1 ZINC001571309388 946442759 /nfs/dbraw/zinc/44/27/59/946442759.db2.gz YTMCHIOKRODEQS-ZYHUDNBSSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CCN(C(=O)[C@H]2CCC2(F)F)CC1 ZINC001571309388 946442770 /nfs/dbraw/zinc/44/27/70/946442770.db2.gz YTMCHIOKRODEQS-ZYHUDNBSSA-N -1 1 392.414 1.741 20 0 GDADMM O=C(C[C@H]1CCC(F)(F)C1)N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571309446 946444926 /nfs/dbraw/zinc/44/49/26/946444926.db2.gz ADSHHNNMXSCELZ-IJLUTSLNSA-N -1 1 392.414 1.789 20 0 GDADMM O=C(C[C@H]1CCC(F)(F)C1)N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571309446 946444931 /nfs/dbraw/zinc/44/49/31/946444931.db2.gz ADSHHNNMXSCELZ-IJLUTSLNSA-N -1 1 392.414 1.789 20 0 GDADMM O=C(C[C@H]1OCc2ccccc21)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571309881 946454693 /nfs/dbraw/zinc/45/46/93/946454693.db2.gz NYEDQJIIHIWVLT-UKRRQHHQSA-N -1 1 392.423 1.331 20 0 GDADMM O=C(C[C@H]1OCc2ccccc21)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571309881 946454703 /nfs/dbraw/zinc/45/47/03/946454703.db2.gz NYEDQJIIHIWVLT-UKRRQHHQSA-N -1 1 392.423 1.331 20 0 GDADMM O=C(C[C@@H]1OCc2ccccc21)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571309812 946456059 /nfs/dbraw/zinc/45/60/59/946456059.db2.gz LNULWOJXUAWTIL-BBRMVZONSA-N -1 1 392.423 1.331 20 0 GDADMM O=C(C[C@@H]1OCc2ccccc21)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571309812 946456066 /nfs/dbraw/zinc/45/60/66/946456066.db2.gz LNULWOJXUAWTIL-BBRMVZONSA-N -1 1 392.423 1.331 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccnc(C2CC2)n1 ZINC001571313256 946516589 /nfs/dbraw/zinc/51/65/89/946516589.db2.gz OYISDQUFMHBHBQ-PWSUYJOCSA-N -1 1 392.427 1.039 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccnc(C2CC2)n1 ZINC001571313256 946516604 /nfs/dbraw/zinc/51/66/04/946516604.db2.gz OYISDQUFMHBHBQ-PWSUYJOCSA-N -1 1 392.427 1.039 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)c2ccccc2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571313329 946518310 /nfs/dbraw/zinc/51/83/10/946518310.db2.gz MSOIYEPUAXHQRE-CZUORRHYSA-N -1 1 392.467 1.893 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)c2ccccc2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571313329 946518315 /nfs/dbraw/zinc/51/83/15/946518315.db2.gz MSOIYEPUAXHQRE-CZUORRHYSA-N -1 1 392.467 1.893 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NCC[C@@H]2CCN(C(=O)C3C=CC=CC=C3)C2)n1 ZINC001571315794 946558861 /nfs/dbraw/zinc/55/88/61/946558861.db2.gz ODZNXHWTHZSQRG-OAHLLOKOSA-N -1 1 392.467 1.914 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NCC[C@@H]2CCN(C(=O)C3C=CC=CC=C3)C2)n1 ZINC001571315794 946558874 /nfs/dbraw/zinc/55/88/74/946558874.db2.gz ODZNXHWTHZSQRG-OAHLLOKOSA-N -1 1 392.467 1.914 20 0 GDADMM Cc1cccc([C@@H](C)C(=O)N(C)[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571316124 946566925 /nfs/dbraw/zinc/56/69/25/946566925.db2.gz UPLGGLPZZUPUFL-ZBFHGGJFSA-N -1 1 392.467 1.806 20 0 GDADMM Cc1cccc([C@@H](C)C(=O)N(C)[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571316124 946566939 /nfs/dbraw/zinc/56/69/39/946566939.db2.gz UPLGGLPZZUPUFL-ZBFHGGJFSA-N -1 1 392.467 1.806 20 0 GDADMM Cc1cccc(CC(=O)N[C@H]2CC[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571316537 946579533 /nfs/dbraw/zinc/57/95/33/946579533.db2.gz FWLORHSWXBFAPC-CVEARBPZSA-N -1 1 392.467 1.905 20 0 GDADMM Cc1cccc(CC(=O)N[C@H]2CC[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571316537 946579538 /nfs/dbraw/zinc/57/95/38/946579538.db2.gz FWLORHSWXBFAPC-CVEARBPZSA-N -1 1 392.467 1.905 20 0 GDADMM Cc1cccc(CCC(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@@H]2C)c1 ZINC001571316890 946592014 /nfs/dbraw/zinc/59/20/14/946592014.db2.gz PCZIYXGBZXVQOE-GOEBONIOSA-N -1 1 392.467 1.999 20 0 GDADMM Cc1cccc(CCC(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@@H]2C)c1 ZINC001571316890 946592018 /nfs/dbraw/zinc/59/20/18/946592018.db2.gz PCZIYXGBZXVQOE-GOEBONIOSA-N -1 1 392.467 1.999 20 0 GDADMM Cc1cccc(C)c1C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC1(C)C ZINC001571317106 946598618 /nfs/dbraw/zinc/59/86/18/946598618.db2.gz VHVURHULNAGDPP-CQSZACIVSA-N -1 1 392.467 1.918 20 0 GDADMM Cc1cccc(C)c1C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC1(C)C ZINC001571317106 946598628 /nfs/dbraw/zinc/59/86/28/946598628.db2.gz VHVURHULNAGDPP-CQSZACIVSA-N -1 1 392.467 1.918 20 0 GDADMM Cc1ccccc1C[C@H](C)C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571317193 946601419 /nfs/dbraw/zinc/60/14/19/946601419.db2.gz XUVHUJFAMJYTKH-GOEBONIOSA-N -1 1 392.467 1.279 20 0 GDADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001571317287 946607176 /nfs/dbraw/zinc/60/71/76/946607176.db2.gz BBRVDVBIELGIOS-ZOBBELMKSA-N -1 1 392.467 1.175 20 0 GDADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001571317287 946607180 /nfs/dbraw/zinc/60/71/80/946607180.db2.gz BBRVDVBIELGIOS-ZOBBELMKSA-N -1 1 392.467 1.175 20 0 GDADMM CC(=O)Nc1ccc(CNS(=O)(=O)c2ccsc2-c2nn[n-]n2)cc1 ZINC001573547311 946833382 /nfs/dbraw/zinc/83/33/82/946833382.db2.gz JIZAZPKBGBLGTC-UHFFFAOYSA-N -1 1 378.439 1.365 20 0 GDADMM CC(=O)Nc1cccc2c1CCN(C(=O)Nc1cccc(-c3nnn[n-]3)n1)C2 ZINC001573548961 946860641 /nfs/dbraw/zinc/86/06/41/946860641.db2.gz YNBJJWQOXDEJII-UHFFFAOYSA-N -1 1 378.396 1.810 20 0 GDADMM CC(=O)Nc1cccc2c1CCN(C(=O)Nc1cccc(-c3nn[n-]n3)n1)C2 ZINC001573548961 946860654 /nfs/dbraw/zinc/86/06/54/946860654.db2.gz YNBJJWQOXDEJII-UHFFFAOYSA-N -1 1 378.396 1.810 20 0 GDADMM CC1(C)CC[C@@H]2C[C@@H](NC(=O)Cn3cnc(-c4nn[n-]n4)n3)c3cccc1c32 ZINC000824801707 946937779 /nfs/dbraw/zinc/93/77/79/946937779.db2.gz GXCACAZRZJDWIH-BXUZGUMPSA-N -1 1 378.440 1.874 20 0 GDADMM CCN(CC(=O)Nc1c(C)cccc1C)C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825396013 947173307 /nfs/dbraw/zinc/17/33/07/947173307.db2.gz ZKJVHAVCDXFYCN-UHFFFAOYSA-N -1 1 397.439 1.810 20 0 GDADMM CCN(CC(=O)Nc1c(C)cccc1C)C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825396013 947173312 /nfs/dbraw/zinc/17/33/12/947173312.db2.gz ZKJVHAVCDXFYCN-UHFFFAOYSA-N -1 1 397.439 1.810 20 0 GDADMM CCOC(=O)c1cccc(N(CC)C(=O)Cc2noc(C)c2-c2nnn[n-]2)c1 ZINC000825564595 947222922 /nfs/dbraw/zinc/22/29/22/947222922.db2.gz AQVAYMYQPZWKAQ-UHFFFAOYSA-N -1 1 384.396 1.935 20 0 GDADMM CCOC(=O)c1cccc(N(CC)C(=O)Cc2noc(C)c2-c2nn[n-]n2)c1 ZINC000825564595 947222933 /nfs/dbraw/zinc/22/29/33/947222933.db2.gz AQVAYMYQPZWKAQ-UHFFFAOYSA-N -1 1 384.396 1.935 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)c2ccc(OC)c(OC)c2)c1-c1nn[n-]n1 ZINC000825569830 947229189 /nfs/dbraw/zinc/22/91/89/947229189.db2.gz AJLYFQWAFKQFPB-UHFFFAOYSA-N -1 1 386.368 1.140 20 0 GDADMM CCOC(=O)c1cnn(Cc2cc(C(=O)OC)sc2C)c1-c1nn[n-]n1 ZINC000825571178 947233194 /nfs/dbraw/zinc/23/31/94/947233194.db2.gz UXLCORRCEJECGS-UHFFFAOYSA-N -1 1 376.398 1.445 20 0 GDADMM CCOC(=O)c1cnn(Cc2csc([C@@H](C)OCC)n2)c1-c1nn[n-]n1 ZINC000825571008 947233867 /nfs/dbraw/zinc/23/38/67/947233867.db2.gz RZJYYHHCNUXHJS-SECBINFHSA-N -1 1 377.430 1.842 20 0 GDADMM CCS[C@@H](C)c1noc(CN(C)C(=O)Cc2noc(C)c2-c2nnn[n-]2)n1 ZINC000825669342 947285475 /nfs/dbraw/zinc/28/54/75/947285475.db2.gz VPMSZLLXOBHROT-VIFPVBQESA-N -1 1 392.445 1.561 20 0 GDADMM CCS[C@@H](C)c1noc(CN(C)C(=O)Cc2noc(C)c2-c2nn[n-]n2)n1 ZINC000825669342 947285485 /nfs/dbraw/zinc/28/54/85/947285485.db2.gz VPMSZLLXOBHROT-VIFPVBQESA-N -1 1 392.445 1.561 20 0 GDADMM C[C@@H](C(=O)N(C)C1CCN(c2nccnc2-c2nnn[n-]2)CC1)C(C)(F)F ZINC001573593079 947360990 /nfs/dbraw/zinc/36/09/90/947360990.db2.gz PZLRFQFPSYZLHL-JTQLQIEISA-N -1 1 380.403 1.375 20 0 GDADMM C[C@@H](C(=O)N(C)C1CCN(c2nccnc2-c2nn[n-]n2)CC1)C(C)(F)F ZINC001573593079 947361004 /nfs/dbraw/zinc/36/10/04/947361004.db2.gz PZLRFQFPSYZLHL-JTQLQIEISA-N -1 1 380.403 1.375 20 0 GDADMM C[C@@H](C(=O)N(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1ccco1 ZINC001573593196 947364181 /nfs/dbraw/zinc/36/41/81/947364181.db2.gz IRNVTBWXFWVDGN-YPMHNXCESA-N -1 1 382.428 1.124 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cnc2ccc(F)cc2c1 ZINC000825933269 947376299 /nfs/dbraw/zinc/37/62/99/947376299.db2.gz ABSNEWXJTYAMJS-UHFFFAOYSA-N -1 1 395.402 1.564 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cnc2ccc(F)cc2c1 ZINC000825933269 947376314 /nfs/dbraw/zinc/37/63/14/947376314.db2.gz ABSNEWXJTYAMJS-UHFFFAOYSA-N -1 1 395.402 1.564 20 0 GDADMM C[C@H](C(=O)N(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)C(C)(F)F ZINC001573593903 947381270 /nfs/dbraw/zinc/38/12/70/947381270.db2.gz MRNNPLDHJIAJTN-SKDRFNHKSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@H](C(=O)N(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)C(C)(F)F ZINC001573593903 947381283 /nfs/dbraw/zinc/38/12/83/947381283.db2.gz MRNNPLDHJIAJTN-SKDRFNHKSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@H](C(=O)N(C)CCNc1ccnc(-c2nn[n-]n2)n1)c1ccc(F)cc1F ZINC001573603415 947488108 /nfs/dbraw/zinc/48/81/08/947488108.db2.gz GLCZKULJCLLMSZ-JTQLQIEISA-N -1 1 388.382 1.031 20 0 GDADMM C[C@@H](C(=O)N(CCO)CCNc1nc(-c2nn[n-]n2)c(Cl)s1)C1CC1 ZINC001573606885 947534275 /nfs/dbraw/zinc/53/42/75/947534275.db2.gz ABFBQUUNVVDWET-MRVPVSSYSA-N -1 1 385.881 1.256 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1)C(F)(F)F ZINC001573613450 947563485 /nfs/dbraw/zinc/56/34/85/947563485.db2.gz AKHNVGMSUHFYLC-BBBLOLIVSA-N -1 1 382.350 1.035 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1)C(F)(F)F ZINC001573613450 947563491 /nfs/dbraw/zinc/56/34/91/947563491.db2.gz AKHNVGMSUHFYLC-BBBLOLIVSA-N -1 1 382.350 1.035 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1)C(C)(F)F ZINC001573613664 947566825 /nfs/dbraw/zinc/56/68/25/947566825.db2.gz GDDUGOHRQKVHPU-GXSJLCMTSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C1)C(C)(F)F ZINC001573613664 947566827 /nfs/dbraw/zinc/56/68/27/947566827.db2.gz GDDUGOHRQKVHPU-GXSJLCMTSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC001573613804 947571025 /nfs/dbraw/zinc/57/10/25/947571025.db2.gz JGEAUYGRMPCPBG-RWMBFGLXSA-N -1 1 380.412 1.233 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC001573613804 947571029 /nfs/dbraw/zinc/57/10/29/947571029.db2.gz JGEAUYGRMPCPBG-RWMBFGLXSA-N -1 1 380.412 1.233 20 0 GDADMM C[C@H](C(=O)N1CC[C@](C)(CNc2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001573615222 947602477 /nfs/dbraw/zinc/60/24/77/947602477.db2.gz JHZXMOZCYIONBN-FZKQIMNGSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@H](C(=O)N1CC[C@](C)(CNc2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001573615222 947602482 /nfs/dbraw/zinc/60/24/82/947602482.db2.gz JHZXMOZCYIONBN-FZKQIMNGSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CN(C)c2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001573617270 947634475 /nfs/dbraw/zinc/63/44/75/947634475.db2.gz ONVNHAWAGWMVST-ZJUUUORDSA-N -1 1 384.366 1.140 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CN(C)c2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001573617270 947634481 /nfs/dbraw/zinc/63/44/81/947634481.db2.gz ONVNHAWAGWMVST-ZJUUUORDSA-N -1 1 384.366 1.140 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CCNc2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001573617506 947636785 /nfs/dbraw/zinc/63/67/85/947636785.db2.gz PJXFQJLMGDIDNX-ZIAGYGMSSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CCNc2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001573617506 947636791 /nfs/dbraw/zinc/63/67/91/947636791.db2.gz PJXFQJLMGDIDNX-ZIAGYGMSSA-N -1 1 381.444 1.370 20 0 GDADMM C=Cc1ccc(C(=O)NCC2(Nc3nc(C)cc(-c4nnn[n-]4)n3)CC2)cc1 ZINC001573355897 947646333 /nfs/dbraw/zinc/64/63/33/947646333.db2.gz SGOVOLWQMCUKOA-UHFFFAOYSA-N -1 1 376.424 1.983 20 0 GDADMM C=Cc1ccc(C(=O)NCC2(Nc3nc(C)cc(-c4nn[n-]n4)n3)CC2)cc1 ZINC001573355897 947646338 /nfs/dbraw/zinc/64/63/38/947646338.db2.gz SGOVOLWQMCUKOA-UHFFFAOYSA-N -1 1 376.424 1.983 20 0 GDADMM C[C@@H](C(=O)N1CCC(N(C)c2ccnc(-c3nn[n-]n3)n2)CC1)n1cccc1 ZINC001573619515 947664669 /nfs/dbraw/zinc/66/46/69/947664669.db2.gz VMKIIZBQWGZBGI-ZDUSSCGKSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H](C(=O)N1CCC(C)(Nc2cnc(-c3nnn[n-]3)cn2)CC1)C(C)(F)F ZINC001573619429 947664687 /nfs/dbraw/zinc/66/46/87/947664687.db2.gz WFLZPLYJBUAHSB-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](C(=O)N1CCC(C)(Nc2cnc(-c3nn[n-]n3)cn2)CC1)C(C)(F)F ZINC001573619429 947664694 /nfs/dbraw/zinc/66/46/94/947664694.db2.gz WFLZPLYJBUAHSB-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@H]2CCCC3(C2)OCCO3)cc1-c1nn[n-]n1 ZINC000826229656 947671375 /nfs/dbraw/zinc/67/13/75/947671375.db2.gz MHPZYELDUSKVKA-VIFPVBQESA-N -1 1 392.441 1.105 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ccccc1F ZINC001573627174 947719851 /nfs/dbraw/zinc/71/98/51/947719851.db2.gz ZXGDUZFHJLGQTQ-NEPJUHHUSA-N -1 1 382.403 1.612 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ccccc1F ZINC001573627174 947719863 /nfs/dbraw/zinc/71/98/63/947719863.db2.gz ZXGDUZFHJLGQTQ-NEPJUHHUSA-N -1 1 382.403 1.612 20 0 GDADMM CC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1)c1ccccc1F ZINC001573364505 947720583 /nfs/dbraw/zinc/72/05/83/947720583.db2.gz HFJBJWYHHVNATK-MRXNPFEDSA-N -1 1 389.412 1.756 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1)C(C)(F)F ZINC001573627610 947730308 /nfs/dbraw/zinc/73/03/08/947730308.db2.gz AZNKVMFEXBPTJV-APPDUMDISA-N -1 1 392.414 1.377 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1)C(C)(F)F ZINC001573627610 947730319 /nfs/dbraw/zinc/73/03/19/947730319.db2.gz AZNKVMFEXBPTJV-APPDUMDISA-N -1 1 392.414 1.377 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001573627872 947737110 /nfs/dbraw/zinc/73/71/10/947737110.db2.gz GIRBPSNOIGNIMR-NXEZZACHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573627872 947737120 /nfs/dbraw/zinc/73/71/20/947737120.db2.gz GIRBPSNOIGNIMR-NXEZZACHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001573628442 947754829 /nfs/dbraw/zinc/75/48/29/947754829.db2.gz KVEQXCZCTYRZRG-UWVGGRQHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001573628442 947754837 /nfs/dbraw/zinc/75/48/37/947754837.db2.gz KVEQXCZCTYRZRG-UWVGGRQHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)C(F)(F)F ZINC001573629370 947777059 /nfs/dbraw/zinc/77/70/59/947777059.db2.gz SGSDZKDEPBIEMQ-NXEZZACHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)C(F)(F)F ZINC001573629370 947777063 /nfs/dbraw/zinc/77/70/63/947777063.db2.gz SGSDZKDEPBIEMQ-NXEZZACHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001573629707 947782057 /nfs/dbraw/zinc/78/20/57/947782057.db2.gz PJLZPTAPEIKZTB-UWVGGRQHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573629707 947782063 /nfs/dbraw/zinc/78/20/63/947782063.db2.gz PJLZPTAPEIKZTB-UWVGGRQHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573629638 947782416 /nfs/dbraw/zinc/78/24/16/947782416.db2.gz OTAAJWXMZPFFTN-ZIAGYGMSSA-N -1 1 384.488 1.555 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001573374167 947807921 /nfs/dbraw/zinc/80/79/21/947807921.db2.gz NEJCVPVHHLMCIN-AWEZNQCLSA-N -1 1 386.460 1.021 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@H]1CN(C)c1cncc(-c2nnn[n-]2)n1)C1CCC1 ZINC001573637794 947825172 /nfs/dbraw/zinc/82/51/72/947825172.db2.gz QTOWRHQWZOLUGM-ZFWWWQNUSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@H]1CN(C)c1cncc(-c2nn[n-]n2)n1)C1CCC1 ZINC001573637794 947825182 /nfs/dbraw/zinc/82/51/82/947825182.db2.gz QTOWRHQWZOLUGM-ZFWWWQNUSA-N -1 1 384.488 1.910 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@H](Nc2snc(C)c2-c2nn[n-]n2)[C@@H]1C ZINC001573376113 947829615 /nfs/dbraw/zinc/82/96/15/947829615.db2.gz WSBASWRNVMOFGD-RYUDHWBXSA-N -1 1 377.474 1.792 20 0 GDADMM CC(=O)CCCC(=O)NC1CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573380339 947859408 /nfs/dbraw/zinc/85/94/08/947859408.db2.gz BLNYRFPAZNQKTM-UHFFFAOYSA-N -1 1 377.474 1.476 20 0 GDADMM C[C@H](C(=O)N1CC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)C1CCCC1 ZINC001573646220 947874063 /nfs/dbraw/zinc/87/40/63/947874063.db2.gz HQDBMVNKWFMBOU-DUVNUKRYSA-N -1 1 382.472 1.520 20 0 GDADMM C[C@H](C(=O)N1CC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)C1CCCC1 ZINC001573646220 947874068 /nfs/dbraw/zinc/87/40/68/947874068.db2.gz HQDBMVNKWFMBOU-DUVNUKRYSA-N -1 1 382.472 1.520 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ccsc1 ZINC001573647371 947891493 /nfs/dbraw/zinc/89/14/93/947891493.db2.gz JAJCAMOEGXVYCD-NTZNESFSSA-N -1 1 384.469 1.781 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ccsc1 ZINC001573647371 947891502 /nfs/dbraw/zinc/89/15/02/947891502.db2.gz JAJCAMOEGXVYCD-NTZNESFSSA-N -1 1 384.469 1.781 20 0 GDADMM C[C@H](C(=O)N[C@](C)(CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)c1ccco1 ZINC001573652873 947949228 /nfs/dbraw/zinc/94/92/28/947949228.db2.gz HVTTXPCMLRKTIJ-BBATYDOGSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](C(=O)N[C@](C)(CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)c1ccco1 ZINC001573652873 947949238 /nfs/dbraw/zinc/94/92/38/947949238.db2.gz HVTTXPCMLRKTIJ-BBATYDOGSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C(C)(C)C)C(F)(F)F ZINC001573653009 947951309 /nfs/dbraw/zinc/95/13/09/947951309.db2.gz IPDPXCZVVCONCS-WPRPVWTQSA-N -1 1 386.382 1.798 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C(C)(C)C)C(F)(F)F ZINC001573653009 947951317 /nfs/dbraw/zinc/95/13/17/947951317.db2.gz IPDPXCZVVCONCS-WPRPVWTQSA-N -1 1 386.382 1.798 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C(C)(C)C)c1ccco1 ZINC001573653905 947959496 /nfs/dbraw/zinc/95/94/96/947959496.db2.gz NUBIJFHALGTNMF-SMDDNHRTSA-N -1 1 384.444 1.996 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C(C)(C)C)c1ccco1 ZINC001573653905 947959504 /nfs/dbraw/zinc/95/95/04/947959504.db2.gz NUBIJFHALGTNMF-SMDDNHRTSA-N -1 1 384.444 1.996 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C(C)(C)C)n1cccc1 ZINC001573655242 947976362 /nfs/dbraw/zinc/97/63/62/947976362.db2.gz WPVYUAMNSPONSN-STQMWFEESA-N -1 1 383.460 1.662 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C(C)(C)C)n1cccc1 ZINC001573655242 947976373 /nfs/dbraw/zinc/97/63/73/947976373.db2.gz WPVYUAMNSPONSN-STQMWFEESA-N -1 1 383.460 1.662 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)c1cccnc1 ZINC001573655360 947977386 /nfs/dbraw/zinc/97/73/86/947977386.db2.gz WYWDEBLSVIEZEK-IAQYHMDHSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)c1cccnc1 ZINC001573655360 947977393 /nfs/dbraw/zinc/97/73/93/947977393.db2.gz WYWDEBLSVIEZEK-IAQYHMDHSA-N -1 1 379.428 1.162 20 0 GDADMM Cc1onc(CC(=O)N(C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1-c1nnn[n-]1 ZINC000826343010 947985906 /nfs/dbraw/zinc/98/59/06/947985906.db2.gz IZKMIBRXVUKSAU-LLVKDONJSA-N -1 1 391.432 1.173 20 0 GDADMM Cc1onc(CC(=O)N(C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1-c1nn[n-]n1 ZINC000826343010 947985909 /nfs/dbraw/zinc/98/59/09/947985909.db2.gz IZKMIBRXVUKSAU-LLVKDONJSA-N -1 1 391.432 1.173 20 0 GDADMM Cc1onc(CC(=O)N2CC(OCCCc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826343649 947993101 /nfs/dbraw/zinc/99/31/01/947993101.db2.gz JDURJJFKNNYAMV-UHFFFAOYSA-N -1 1 382.424 1.566 20 0 GDADMM Cc1onc(CC(=O)N2CC(OCCCc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826343649 947993107 /nfs/dbraw/zinc/99/31/07/947993107.db2.gz JDURJJFKNNYAMV-UHFFFAOYSA-N -1 1 382.424 1.566 20 0 GDADMM Cc1onc(CC(=O)N2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)c1-c1nnn[n-]1 ZINC000826343710 947994923 /nfs/dbraw/zinc/99/49/23/947994923.db2.gz KXPFYSVUNAIIOM-BMIGLBTASA-N -1 1 386.387 1.833 20 0 GDADMM Cc1onc(CC(=O)N2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)c1-c1nn[n-]n1 ZINC000826343710 947994927 /nfs/dbraw/zinc/99/49/27/947994927.db2.gz KXPFYSVUNAIIOM-BMIGLBTASA-N -1 1 386.387 1.833 20 0 GDADMM Cc1onc(CC(=O)N2CCC(c3c[nH]c4ncccc34)CC2)c1-c1nnn[n-]1 ZINC000826343694 947995442 /nfs/dbraw/zinc/99/54/42/947995442.db2.gz KJBSMUMCJKGAKT-UHFFFAOYSA-N -1 1 392.423 1.988 20 0 GDADMM Cc1onc(CC(=O)N2CCC(c3c[nH]c4ncccc34)CC2)c1-c1nn[n-]n1 ZINC000826343694 947995449 /nfs/dbraw/zinc/99/54/49/947995449.db2.gz KJBSMUMCJKGAKT-UHFFFAOYSA-N -1 1 392.423 1.988 20 0 GDADMM C[C@@H](C(=O)N[C@@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cccs1 ZINC001573659126 948013360 /nfs/dbraw/zinc/01/33/60/948013360.db2.gz VOESUBBDHFJVSH-DIFFPNOSSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)N[C@@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573659126 948013372 /nfs/dbraw/zinc/01/33/72/948013372.db2.gz VOESUBBDHFJVSH-DIFFPNOSSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NC1(CNc2cncc(-c3nnn[n-]3)n2)CCCC1)[C@@H]1CCCO1 ZINC001573662411 948025621 /nfs/dbraw/zinc/02/56/21/948025621.db2.gz DHBCMYDMRBBCTM-JSGCOSHPSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](C(=O)NC1(CNc2cncc(-c3nn[n-]n3)n2)CCCC1)[C@@H]1CCCO1 ZINC001573662411 948025632 /nfs/dbraw/zinc/02/56/32/948025632.db2.gz DHBCMYDMRBBCTM-JSGCOSHPSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](C(=O)NC1(CNc2cnc(-c3nnn[n-]3)cn2)CCCC1)C(C)(F)F ZINC001573663725 948039325 /nfs/dbraw/zinc/03/93/25/948039325.db2.gz OZWHLMMCBQKGOE-JTQLQIEISA-N -1 1 380.403 1.789 20 0 GDADMM C[C@@H](C(=O)NC1(CNc2cnc(-c3nn[n-]n3)cn2)CCCC1)C(C)(F)F ZINC001573663725 948039331 /nfs/dbraw/zinc/03/93/31/948039331.db2.gz OZWHLMMCBQKGOE-JTQLQIEISA-N -1 1 380.403 1.789 20 0 GDADMM Cc1onc(CC(=O)NCCc2ccc(OC(F)F)cc2)c1-c1nnn[n-]1 ZINC000826347750 948060211 /nfs/dbraw/zinc/06/02/11/948060211.db2.gz DFHJDDYMRFCVIY-UHFFFAOYSA-N -1 1 378.339 1.666 20 0 GDADMM Cc1onc(CC(=O)NCCc2ccc(OC(F)F)cc2)c1-c1nn[n-]n1 ZINC000826347750 948060218 /nfs/dbraw/zinc/06/02/18/948060218.db2.gz DFHJDDYMRFCVIY-UHFFFAOYSA-N -1 1 378.339 1.666 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C(C)(F)F ZINC001573665532 948074808 /nfs/dbraw/zinc/07/48/08/948074808.db2.gz LYCPAWGQQPMPJN-WDEREUQCSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C1CCCC1 ZINC001573665868 948080423 /nfs/dbraw/zinc/08/04/23/948080423.db2.gz NUXJQPACQQNQMK-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C1CCCC1 ZINC001573665868 948080429 /nfs/dbraw/zinc/08/04/29/948080429.db2.gz NUXJQPACQQNQMK-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM Cc1onc(CC(=O)Nc2cccn(CC(F)(F)F)c2=O)c1-c1nn[n-]n1 ZINC000826348806 948084125 /nfs/dbraw/zinc/08/41/25/948084125.db2.gz FVEUIISTQIJKDG-UHFFFAOYSA-N -1 1 383.290 1.068 20 0 GDADMM CC(=O)N(CC(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1)c1ccccc1 ZINC001573415548 948110415 /nfs/dbraw/zinc/11/04/15/948110415.db2.gz XJBPXMWHMSNFMK-UHFFFAOYSA-N -1 1 386.362 1.814 20 0 GDADMM CC(=O)N(CC(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1)c1ccccc1 ZINC001573415548 948110422 /nfs/dbraw/zinc/11/04/22/948110422.db2.gz XJBPXMWHMSNFMK-UHFFFAOYSA-N -1 1 386.362 1.814 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)CC(C)(C)C1)C1CC1 ZINC001573675358 948121075 /nfs/dbraw/zinc/12/10/75/948121075.db2.gz PSQWPUWWUMWROK-OCCSQVGLSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)CC(C)(C)C1)C1CC1 ZINC001573675358 948121081 /nfs/dbraw/zinc/12/10/81/948121081.db2.gz PSQWPUWWUMWROK-OCCSQVGLSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccccc1F ZINC001573677094 948131953 /nfs/dbraw/zinc/13/19/53/948131953.db2.gz VSRWHKNWTUJSEF-RYUDHWBXSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccccc1F ZINC001573677094 948131959 /nfs/dbraw/zinc/13/19/59/948131959.db2.gz VSRWHKNWTUJSEF-RYUDHWBXSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@@H](CNC(=O)[C@@H](C)c1cccc(F)c1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001573677290 948134104 /nfs/dbraw/zinc/13/41/04/948134104.db2.gz BUYRWIRQLILBGS-RYUDHWBXSA-N -1 1 384.419 1.540 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C)C1CCCC1 ZINC001573678353 948149725 /nfs/dbraw/zinc/14/97/25/948149725.db2.gz HEIDERYNOQCKMS-SWLSCSKDSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C)C1CCCC1 ZINC001573678353 948149729 /nfs/dbraw/zinc/14/97/29/948149729.db2.gz HEIDERYNOQCKMS-SWLSCSKDSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)NC[C@H](Nc1cncc(-c2nnn[n-]2)n1)c1ccccc1)C1CC1 ZINC001573680152 948173678 /nfs/dbraw/zinc/17/36/78/948173678.db2.gz MFAMMTGRFRRSAV-DOMZBBRYSA-N -1 1 378.440 1.972 20 0 GDADMM C[C@@H](C(=O)NC[C@H](Nc1cncc(-c2nn[n-]n2)n1)c1ccccc1)C1CC1 ZINC001573680152 948173681 /nfs/dbraw/zinc/17/36/81/948173681.db2.gz MFAMMTGRFRRSAV-DOMZBBRYSA-N -1 1 378.440 1.972 20 0 GDADMM C[C@H](C(=O)NC[C@H](CO)Nc1nc(Cl)c(-c2nnn[n-]2)s1)C1CCC1 ZINC001573680434 948181144 /nfs/dbraw/zinc/18/11/44/948181144.db2.gz NSIXMEXAYOUCRQ-IONNQARKSA-N -1 1 385.881 1.302 20 0 GDADMM C[C@H](C(=O)NC[C@H](CO)Nc1nc(Cl)c(-c2nn[n-]n2)s1)C1CCC1 ZINC001573680434 948181149 /nfs/dbraw/zinc/18/11/49/948181149.db2.gz NSIXMEXAYOUCRQ-IONNQARKSA-N -1 1 385.881 1.302 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C)c1ccco1 ZINC001573680724 948185618 /nfs/dbraw/zinc/18/56/18/948185618.db2.gz RJNRCGDCKPZUIK-RISCZKNCSA-N -1 1 382.428 1.384 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C)c1ccco1 ZINC001573680724 948185624 /nfs/dbraw/zinc/18/56/24/948185624.db2.gz RJNRCGDCKPZUIK-RISCZKNCSA-N -1 1 382.428 1.384 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C)n1cccc1 ZINC001573680954 948191324 /nfs/dbraw/zinc/19/13/24/948191324.db2.gz SVBHJYLBNHJXDK-GXTWGEPZSA-N -1 1 381.444 1.050 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C)n1cccc1 ZINC001573680954 948191328 /nfs/dbraw/zinc/19/13/28/948191328.db2.gz SVBHJYLBNHJXDK-GXTWGEPZSA-N -1 1 381.444 1.050 20 0 GDADMM CC(=O)N1CCC([C@H]2C[C@H](Nc3snc(C)c3-c3nn[n-]n3)CCO2)CC1 ZINC001573434988 948224066 /nfs/dbraw/zinc/22/40/66/948224066.db2.gz UMCSZXKBPVBUCW-ZIAGYGMSSA-N -1 1 391.501 1.850 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCCC1)C(F)(F)F ZINC001573692885 948273945 /nfs/dbraw/zinc/27/39/45/948273945.db2.gz SXJWNIRWIIXZBJ-SECBINFHSA-N -1 1 384.366 1.696 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCCC1)C(F)(F)F ZINC001573692885 948273956 /nfs/dbraw/zinc/27/39/56/948273956.db2.gz SXJWNIRWIIXZBJ-SECBINFHSA-N -1 1 384.366 1.696 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000826424959 948275265 /nfs/dbraw/zinc/27/52/65/948275265.db2.gz KDLBLRZDEWANKM-ZDUSSCGKSA-N -1 1 392.345 1.745 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1)c1ccsc1 ZINC001573701605 948339774 /nfs/dbraw/zinc/33/97/74/948339774.db2.gz BJDORFDKBPJANB-AAEUAGOBSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1)c1ccsc1 ZINC001573701605 948339780 /nfs/dbraw/zinc/33/97/80/948339780.db2.gz BJDORFDKBPJANB-AAEUAGOBSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1)n1cccc1 ZINC001573702905 948352260 /nfs/dbraw/zinc/35/22/60/948352260.db2.gz HFDHFUPUSWQDPG-ZIAGYGMSSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1)n1cccc1 ZINC001573702905 948352269 /nfs/dbraw/zinc/35/22/69/948352269.db2.gz HFDHFUPUSWQDPG-ZIAGYGMSSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1CCCC1 ZINC001573704299 948369866 /nfs/dbraw/zinc/36/98/66/948369866.db2.gz RFNXZCCXBSHYCL-KBPBESRZSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1CCCC1 ZINC001573704299 948369869 /nfs/dbraw/zinc/36/98/69/948369869.db2.gz RFNXZCCXBSHYCL-KBPBESRZSA-N -1 1 384.488 1.816 20 0 GDADMM O=C1CCCC[C@@H]1[C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826479693 948391582 /nfs/dbraw/zinc/39/15/82/948391582.db2.gz FYNBZCXEXYNUJY-DOMZBBRYSA-N -1 1 393.444 1.918 20 0 GDADMM C[C@H](C(=O)NCCC1(CNc2ccc(-c3nnn[n-]3)nn2)CC1)[C@@H]1CCCO1 ZINC001573705386 948400230 /nfs/dbraw/zinc/40/02/30/948400230.db2.gz FKHGCDGJOLONIA-JSGCOSHPSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@H](C(=O)NCCC1(CNc2ccc(-c3nn[n-]n3)nn2)CC1)[C@@H]1CCCO1 ZINC001573705386 948400237 /nfs/dbraw/zinc/40/02/37/948400237.db2.gz FKHGCDGJOLONIA-JSGCOSHPSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](C(=O)NCCC1(CNc2ccc(-c3nnn[n-]3)nn2)CC1)[C@@H]1CCCO1 ZINC001573705389 948400764 /nfs/dbraw/zinc/40/07/64/948400764.db2.gz FKHGCDGJOLONIA-OCCSQVGLSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](C(=O)NCCC1(CNc2ccc(-c3nn[n-]n3)nn2)CC1)[C@@H]1CCCO1 ZINC001573705389 948400765 /nfs/dbraw/zinc/40/07/65/948400765.db2.gz FKHGCDGJOLONIA-OCCSQVGLSA-N -1 1 386.460 1.170 20 0 GDADMM O=S(=O)(NCCc1ccc(CO)cc1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826491659 948404355 /nfs/dbraw/zinc/40/43/55/948404355.db2.gz ULAJHFJZERUXHB-UHFFFAOYSA-N -1 1 377.401 1.019 20 0 GDADMM O=S(=O)(NCCc1ccc(CO)cc1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826491659 948404360 /nfs/dbraw/zinc/40/43/60/948404360.db2.gz ULAJHFJZERUXHB-UHFFFAOYSA-N -1 1 377.401 1.019 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccsc1 ZINC001573706962 948426915 /nfs/dbraw/zinc/42/69/15/948426915.db2.gz MOTTVEHCAMUHNQ-VXGBXAGGSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccsc1 ZINC001573706962 948426918 /nfs/dbraw/zinc/42/69/18/948426918.db2.gz MOTTVEHCAMUHNQ-VXGBXAGGSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1)C(C)(C)C ZINC001573708448 948449702 /nfs/dbraw/zinc/44/97/02/948449702.db2.gz UKWBANFNCGOAOQ-STQMWFEESA-N -1 1 392.529 1.927 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1)C1CCC1 ZINC001573708690 948455284 /nfs/dbraw/zinc/45/52/84/948455284.db2.gz XEUZAFJTDLZKQO-TZMCWYRMSA-N -1 1 390.513 1.681 20 0 GDADMM C[C@H](C(=O)NCC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001573714988 948480347 /nfs/dbraw/zinc/48/03/47/948480347.db2.gz MLFFLKMOQCHCCS-STQMWFEESA-N -1 1 382.428 1.386 20 0 GDADMM C[C@H](C(=O)NCC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001573714988 948480351 /nfs/dbraw/zinc/48/03/51/948480351.db2.gz MLFFLKMOQCHCCS-STQMWFEESA-N -1 1 382.428 1.386 20 0 GDADMM C[C@H](C(=O)NCC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001573714987 948480573 /nfs/dbraw/zinc/48/05/73/948480573.db2.gz MLFFLKMOQCHCCS-QWHCGFSZSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@H](C(=O)NCC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001573714987 948480577 /nfs/dbraw/zinc/48/05/77/948480577.db2.gz MLFFLKMOQCHCCS-QWHCGFSZSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@@H](C(=O)NCC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1CCCC1 ZINC001573715073 948481944 /nfs/dbraw/zinc/48/19/44/948481944.db2.gz OAYZMZKIRZCVNV-KGLIPLIRSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NCC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1CCCC1 ZINC001573715073 948481946 /nfs/dbraw/zinc/48/19/46/948481946.db2.gz OAYZMZKIRZCVNV-KGLIPLIRSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NCC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001573715212 948486739 /nfs/dbraw/zinc/48/67/39/948486739.db2.gz RAZROHNLGLXHHW-STQMWFEESA-N -1 1 382.428 1.386 20 0 GDADMM C[C@H](C(=O)NCC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001573715212 948486745 /nfs/dbraw/zinc/48/67/45/948486745.db2.gz RAZROHNLGLXHHW-STQMWFEESA-N -1 1 382.428 1.386 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1nc(Cl)c(-c2nnn[n-]2)s1)n1cccc1 ZINC001573720980 948536568 /nfs/dbraw/zinc/53/65/68/948536568.db2.gz UFKQWKYUZCRRRC-SECBINFHSA-N -1 1 380.865 1.592 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1nc(Cl)c(-c2nn[n-]n2)s1)n1cccc1 ZINC001573720980 948536575 /nfs/dbraw/zinc/53/65/75/948536575.db2.gz UFKQWKYUZCRRRC-SECBINFHSA-N -1 1 380.865 1.592 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1)c1ccc(F)cc1F ZINC001573721280 948537917 /nfs/dbraw/zinc/53/79/17/948537917.db2.gz WHBKAUZQJLNCRR-SNVBAGLBSA-N -1 1 388.382 1.291 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1)c1ccc(F)cc1F ZINC001573721280 948537920 /nfs/dbraw/zinc/53/79/20/948537920.db2.gz WHBKAUZQJLNCRR-SNVBAGLBSA-N -1 1 388.382 1.291 20 0 GDADMM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cccnc1 ZINC001573730935 948585875 /nfs/dbraw/zinc/58/58/75/948585875.db2.gz STNHJEMMOJYMMJ-OBJOEFQTSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cccnc1 ZINC001573730935 948585878 /nfs/dbraw/zinc/58/58/78/948585878.db2.gz STNHJEMMOJYMMJ-OBJOEFQTSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@H](C(=O)NCc1ccnc(-c2nnn[n-]2)c1)n1ccc2ccccc2c1=O ZINC001573730923 948586061 /nfs/dbraw/zinc/58/60/61/948586061.db2.gz SMFKAFSXFLCHIB-GFCCVEGCSA-N -1 1 375.392 1.454 20 0 GDADMM C[C@H](C(=O)NCc1ccnc(-c2nn[n-]n2)c1)n1ccc2ccccc2c1=O ZINC001573730923 948586064 /nfs/dbraw/zinc/58/60/64/948586064.db2.gz SMFKAFSXFLCHIB-GFCCVEGCSA-N -1 1 375.392 1.454 20 0 GDADMM C[C@H](C(=O)N[C@@H](C)CNc1snc(Cl)c1-c1nnn[n-]1)n1cccn1 ZINC001573731564 948593087 /nfs/dbraw/zinc/59/30/87/948593087.db2.gz GXLSGJFRZFEWSU-JGVFFNPUSA-N -1 1 381.853 1.351 20 0 GDADMM C[C@H](C(=O)N[C@@H](C)CNc1snc(Cl)c1-c1nn[n-]n1)n1cccn1 ZINC001573731564 948593090 /nfs/dbraw/zinc/59/30/90/948593090.db2.gz GXLSGJFRZFEWSU-JGVFFNPUSA-N -1 1 381.853 1.351 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)c1ccc(F)c(F)c1 ZINC001573732637 948606259 /nfs/dbraw/zinc/60/62/59/948606259.db2.gz TXUFEFHZYHOORC-UWVGGRQHSA-N -1 1 388.382 1.077 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1cncc(-c2nnn[n-]2)n1)c1ccco1 ZINC001573736066 948611712 /nfs/dbraw/zinc/61/17/12/948611712.db2.gz FLEXHNQVYIBCPJ-YNEHKIRRSA-N -1 1 382.428 1.893 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1cncc(-c2nn[n-]n2)n1)c1ccco1 ZINC001573736066 948611720 /nfs/dbraw/zinc/61/17/20/948611720.db2.gz FLEXHNQVYIBCPJ-YNEHKIRRSA-N -1 1 382.428 1.893 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1cccs1 ZINC001573740202 948629043 /nfs/dbraw/zinc/62/90/43/948629043.db2.gz KWZUNMDWGLOTNE-GRYCIOLGSA-N -1 1 384.469 1.463 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1cccs1 ZINC001573740202 948629046 /nfs/dbraw/zinc/62/90/46/948629046.db2.gz KWZUNMDWGLOTNE-GRYCIOLGSA-N -1 1 384.469 1.463 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H](C)c1ccc(F)c(F)c1 ZINC001573740606 948638373 /nfs/dbraw/zinc/63/83/73/948638373.db2.gz QROPJUVDBPZLEM-NXEZZACHSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H](C)c1ccc(F)c(F)c1 ZINC001573740606 948638377 /nfs/dbraw/zinc/63/83/77/948638377.db2.gz QROPJUVDBPZLEM-NXEZZACHSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C)c1cccs1 ZINC001573740767 948642101 /nfs/dbraw/zinc/64/21/01/948642101.db2.gz OQDPNONKOBOPOA-GRYCIOLGSA-N -1 1 384.469 1.463 20 0 GDADMM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)c1cccs1 ZINC001573751804 948705796 /nfs/dbraw/zinc/70/57/96/948705796.db2.gz DJZKSVKZDMWKBP-KIGUWFBYSA-N -1 1 382.453 1.073 20 0 GDADMM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)c1cccs1 ZINC001573751804 948705799 /nfs/dbraw/zinc/70/57/99/948705799.db2.gz DJZKSVKZDMWKBP-KIGUWFBYSA-N -1 1 382.453 1.073 20 0 GDADMM C[C@@H](CNC(=O)CCc1ccc(F)cc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574914663 948753944 /nfs/dbraw/zinc/75/39/44/948753944.db2.gz MBNQBCWIRUANPF-LBPRGKRZSA-N -1 1 384.419 1.370 20 0 GDADMM C[C@@H](CNC(=O)CCc1ccc(F)cc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574914663 948753956 /nfs/dbraw/zinc/75/39/56/948753956.db2.gz MBNQBCWIRUANPF-LBPRGKRZSA-N -1 1 384.419 1.370 20 0 GDADMM CC(C)c1cccc(C(=O)N(C)CCN(C)c2ccnc(-c3nn[n-]n3)n2)n1 ZINC001574416632 948756513 /nfs/dbraw/zinc/75/65/13/948756513.db2.gz AADUOMPLQUXCCM-UHFFFAOYSA-N -1 1 381.444 1.384 20 0 GDADMM C[C@H](CNC(=O)CCc1ccc(F)cc1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574915027 948760417 /nfs/dbraw/zinc/76/04/17/948760417.db2.gz PEEWZIIODWYSQG-LBPRGKRZSA-N -1 1 384.419 1.015 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)C1CC2(C1)CCOCC2 ZINC001574679247 948775150 /nfs/dbraw/zinc/77/51/50/948775150.db2.gz RDMIWWRWLAYFOM-LBPRGKRZSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)C1CC2(C1)CCOCC2 ZINC001574679247 948775163 /nfs/dbraw/zinc/77/51/63/948775163.db2.gz RDMIWWRWLAYFOM-LBPRGKRZSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001574679320 948776344 /nfs/dbraw/zinc/77/63/44/948776344.db2.gz SRJAZVGJZWPKTM-FPMFFAJLSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001574679320 948776360 /nfs/dbraw/zinc/77/63/60/948776360.db2.gz SRJAZVGJZWPKTM-FPMFFAJLSA-N -1 1 379.428 1.162 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001574418201 948776857 /nfs/dbraw/zinc/77/68/57/948776857.db2.gz VHVZHLZMVKIKLD-LBPRGKRZSA-N -1 1 379.428 1.184 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001574418201 948776872 /nfs/dbraw/zinc/77/68/72/948776872.db2.gz VHVZHLZMVKIKLD-LBPRGKRZSA-N -1 1 379.428 1.184 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001575224331 948781195 /nfs/dbraw/zinc/78/11/95/948781195.db2.gz UCBDYNARNYFDFJ-AOOOYVTPSA-N -1 1 378.387 1.399 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001575224331 948781208 /nfs/dbraw/zinc/78/12/08/948781208.db2.gz UCBDYNARNYFDFJ-AOOOYVTPSA-N -1 1 378.387 1.399 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001574419380 948782214 /nfs/dbraw/zinc/78/22/14/948782214.db2.gz DXRGJAQKDLJYTA-TXEJJXNPSA-N -1 1 379.428 1.548 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001574419380 948782223 /nfs/dbraw/zinc/78/22/23/948782223.db2.gz DXRGJAQKDLJYTA-TXEJJXNPSA-N -1 1 379.428 1.548 20 0 GDADMM CC(C)c1ccccc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001574419382 948783971 /nfs/dbraw/zinc/78/39/71/948783971.db2.gz DZRZPZSCMPRTEY-UHFFFAOYSA-N -1 1 378.440 1.743 20 0 GDADMM CC(C)c1ccccc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001574419382 948783985 /nfs/dbraw/zinc/78/39/85/948783985.db2.gz DZRZPZSCMPRTEY-UHFFFAOYSA-N -1 1 378.440 1.743 20 0 GDADMM CC(C)c1ccccc1C(=O)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574419612 948788171 /nfs/dbraw/zinc/78/81/71/948788171.db2.gz GWOWGMLGTDAQQQ-UHFFFAOYSA-N -1 1 378.440 1.743 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCCC1CCOCC1 ZINC001574680161 948799571 /nfs/dbraw/zinc/79/95/71/948799571.db2.gz FKYQEUNRYXMIIS-ZDUSSCGKSA-N -1 1 388.476 1.560 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCCC1CCOCC1 ZINC001574680161 948799584 /nfs/dbraw/zinc/79/95/84/948799584.db2.gz FKYQEUNRYXMIIS-ZDUSSCGKSA-N -1 1 388.476 1.560 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cscc1Cl ZINC001574680432 948803311 /nfs/dbraw/zinc/80/33/11/948803311.db2.gz GYVWZMIXMRYLPI-MRVPVSSYSA-N -1 1 378.849 1.992 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cscc1Cl ZINC001574680432 948803328 /nfs/dbraw/zinc/80/33/28/948803328.db2.gz GYVWZMIXMRYLPI-MRVPVSSYSA-N -1 1 378.849 1.992 20 0 GDADMM CC(C)c1ccoc1C(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574421083 948808619 /nfs/dbraw/zinc/80/86/19/948808619.db2.gz GHWOAUNIYCQGHJ-UHFFFAOYSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1ccoc1C(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574421083 948808625 /nfs/dbraw/zinc/80/86/25/948808625.db2.gz GHWOAUNIYCQGHJ-UHFFFAOYSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1ccoc1C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574421058 948809050 /nfs/dbraw/zinc/80/90/50/948809050.db2.gz FNNGCVCMYJHYAO-TXEJJXNPSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1ccoc1C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574421058 948809068 /nfs/dbraw/zinc/80/90/68/948809068.db2.gz FNNGCVCMYJHYAO-TXEJJXNPSA-N -1 1 382.428 1.994 20 0 GDADMM C[C@@H](CNC(=O)CCc1cn[nH]c1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574917195 948810436 /nfs/dbraw/zinc/81/04/36/948810436.db2.gz UAAXKPBPUUJWPJ-ZETCQYMHSA-N -1 1 381.853 1.249 20 0 GDADMM C[C@@H](CNC(=O)CCc1cn[nH]c1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574917195 948810455 /nfs/dbraw/zinc/81/04/55/948810455.db2.gz UAAXKPBPUUJWPJ-ZETCQYMHSA-N -1 1 381.853 1.249 20 0 GDADMM CC(C)c1ccoc1C(=O)N(C)C1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574421318 948814767 /nfs/dbraw/zinc/81/47/67/948814767.db2.gz IXHWTVASNFGZBH-UHFFFAOYSA-N -1 1 382.428 1.510 20 0 GDADMM CC(C)c1ccoc1C(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001574421540 948817772 /nfs/dbraw/zinc/81/77/72/948817772.db2.gz LNJMEJRCAKIDLX-CYBMUJFWSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1ccoc1C(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001574421540 948817797 /nfs/dbraw/zinc/81/77/97/948817797.db2.gz LNJMEJRCAKIDLX-CYBMUJFWSA-N -1 1 382.428 1.994 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@@H]2[C@H](CCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575227083 948826709 /nfs/dbraw/zinc/82/67/09/948826709.db2.gz RMPJWXCATJAQAB-ZYHUDNBSSA-N -1 1 378.387 1.129 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@@H]2[C@H](CCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575227083 948826726 /nfs/dbraw/zinc/82/67/26/948826726.db2.gz RMPJWXCATJAQAB-ZYHUDNBSSA-N -1 1 378.387 1.129 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1snnc1C1CC1 ZINC001574682169 948828155 /nfs/dbraw/zinc/82/81/55/948828155.db2.gz PGNIJZWTVSLCCM-MRVPVSSYSA-N -1 1 386.445 1.006 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1snnc1C1CC1 ZINC001574682169 948828174 /nfs/dbraw/zinc/82/81/74/948828174.db2.gz PGNIJZWTVSLCCM-MRVPVSSYSA-N -1 1 386.445 1.006 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cccnc1C1CC1 ZINC001574683062 948838178 /nfs/dbraw/zinc/83/81/78/948838178.db2.gz SYYWTQCPNMWFLL-LLVKDONJSA-N -1 1 379.428 1.550 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cccnc1C1CC1 ZINC001574683062 948838182 /nfs/dbraw/zinc/83/81/82/948838182.db2.gz SYYWTQCPNMWFLL-LLVKDONJSA-N -1 1 379.428 1.550 20 0 GDADMM C[C@H](CNC(=O)CCCc1ccsc1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574918216 948840062 /nfs/dbraw/zinc/84/00/62/948840062.db2.gz HJYZBONRQVLFHX-GFCCVEGCSA-N -1 1 386.485 1.682 20 0 GDADMM CC(F)(F)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001575229455 948846382 /nfs/dbraw/zinc/84/63/82/948846382.db2.gz JCWOKXRPRWJUCA-ZSBIGDGJSA-N -1 1 392.414 1.566 20 0 GDADMM CC(F)(F)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001575229455 948846400 /nfs/dbraw/zinc/84/64/00/948846400.db2.gz JCWOKXRPRWJUCA-ZSBIGDGJSA-N -1 1 392.414 1.566 20 0 GDADMM CC(F)(F)CC(=O)NC[C@]12CCC[C@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001575229614 948853932 /nfs/dbraw/zinc/85/39/32/948853932.db2.gz OLYZAIWZVPSHRE-SJKOYZFVSA-N -1 1 392.414 1.567 20 0 GDADMM CC(F)(F)CC(=O)NC[C@]12CCC[C@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001575229614 948853948 /nfs/dbraw/zinc/85/39/48/948853948.db2.gz OLYZAIWZVPSHRE-SJKOYZFVSA-N -1 1 392.414 1.567 20 0 GDADMM C[C@H](CNC(=O)CCCc1cccs1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574918835 948857719 /nfs/dbraw/zinc/85/77/19/948857719.db2.gz RILKTIZLXIPMKE-GFCCVEGCSA-N -1 1 386.485 1.682 20 0 GDADMM C[C@H](CNC(=O)CCCc1cccs1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574918835 948857738 /nfs/dbraw/zinc/85/77/38/948857738.db2.gz RILKTIZLXIPMKE-GFCCVEGCSA-N -1 1 386.485 1.682 20 0 GDADMM C[C@H](CCNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)c1ncccc1[O-] ZINC001574684258 948859861 /nfs/dbraw/zinc/85/98/61/948859861.db2.gz CNRDFRDMBFPWSF-SECBINFHSA-N -1 1 388.819 1.636 20 0 GDADMM CC(C)(C(=O)N1CCC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C(F)F ZINC001573763110 948862425 /nfs/dbraw/zinc/86/24/25/948862425.db2.gz AYOVBXCGNFPLRD-SNVBAGLBSA-N -1 1 380.403 1.020 20 0 GDADMM CC(C)(C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573763177 948869941 /nfs/dbraw/zinc/86/99/41/948869941.db2.gz CNFYYSJOAKKHIH-SECBINFHSA-N -1 1 384.366 1.070 20 0 GDADMM CC(C)(C(=O)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001573764600 948890806 /nfs/dbraw/zinc/89/08/06/948890806.db2.gz OYPDUYNLXPCPFO-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)(C(=O)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573764600 948890824 /nfs/dbraw/zinc/89/08/24/948890824.db2.gz OYPDUYNLXPCPFO-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1[C@H]2CN(c3nc(-c4nn[n-]n4)c(Cl)s3)C[C@H]21 ZINC001575234270 948900436 /nfs/dbraw/zinc/90/04/36/948900436.db2.gz AHHPXBOHVAPLAV-BDINMYNLSA-N -1 1 389.819 1.573 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)Cc1ccc[nH]1 ZINC001574685210 948904608 /nfs/dbraw/zinc/90/46/08/948904608.db2.gz STOFYFMKZRXSRP-MRVPVSSYSA-N -1 1 380.865 1.854 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)Cc1ccc[nH]1 ZINC001574685210 948904617 /nfs/dbraw/zinc/90/46/17/948904617.db2.gz STOFYFMKZRXSRP-MRVPVSSYSA-N -1 1 380.865 1.854 20 0 GDADMM CC[C@](O)(C[N@H+]1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-])C(F)(F)F ZINC001589572442 948916579 /nfs/dbraw/zinc/91/65/79/948916579.db2.gz DDLJYEWYUSNSRG-RNSXUZJQSA-N -1 1 380.285 1.286 20 0 GDADMM CC(C)(C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)c1ccccc1 ZINC001573765640 948919244 /nfs/dbraw/zinc/91/92/44/948919244.db2.gz UNUKMNBNXODBPT-UHFFFAOYSA-N -1 1 378.440 1.283 20 0 GDADMM CC(C)(C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)c1ccccc1 ZINC001573765640 948919251 /nfs/dbraw/zinc/91/92/51/948919251.db2.gz UNUKMNBNXODBPT-UHFFFAOYSA-N -1 1 378.440 1.283 20 0 GDADMM CC(C)(C(=O)N1CCCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C1CC1 ZINC001573765719 948921781 /nfs/dbraw/zinc/92/17/81/948921781.db2.gz ZUVTWINICDDWEM-ZDUSSCGKSA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)(C(=O)N1CCCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C1CC1 ZINC001573765719 948921795 /nfs/dbraw/zinc/92/17/95/948921795.db2.gz ZUVTWINICDDWEM-ZDUSSCGKSA-N -1 1 386.460 1.122 20 0 GDADMM CC(F)(F)CCC(=O)N1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575235601 948922500 /nfs/dbraw/zinc/92/25/00/948922500.db2.gz QHKCCQLVQHLZRT-NSHDSACASA-N -1 1 380.403 1.885 20 0 GDADMM CC(F)(F)CCC(=O)N1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575235601 948922518 /nfs/dbraw/zinc/92/25/18/948922518.db2.gz QHKCCQLVQHLZRT-NSHDSACASA-N -1 1 380.403 1.885 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2)C1CC1 ZINC001573771071 948932999 /nfs/dbraw/zinc/93/29/99/948932999.db2.gz AUNGBGQHHCVCMM-CQSZACIVSA-N -1 1 382.472 1.568 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2)C1CC1 ZINC001573771071 948933012 /nfs/dbraw/zinc/93/30/12/948933012.db2.gz AUNGBGQHHCVCMM-CQSZACIVSA-N -1 1 382.472 1.568 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2)C1CC1 ZINC001573771045 948933953 /nfs/dbraw/zinc/93/39/53/948933953.db2.gz AGRZUFMZNSTEHJ-CYBMUJFWSA-N -1 1 382.472 1.568 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2)C1CC1 ZINC001573771045 948933964 /nfs/dbraw/zinc/93/39/64/948933964.db2.gz AGRZUFMZNSTEHJ-CYBMUJFWSA-N -1 1 382.472 1.568 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccccc1 ZINC001573771813 948946928 /nfs/dbraw/zinc/94/69/28/948946928.db2.gz LWVMJWSUCVWBGI-OAHLLOKOSA-N -1 1 392.467 1.720 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccccc1 ZINC001573771813 948946948 /nfs/dbraw/zinc/94/69/48/948946948.db2.gz LWVMJWSUCVWBGI-OAHLLOKOSA-N -1 1 392.467 1.720 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001575239086 948958041 /nfs/dbraw/zinc/95/80/41/948958041.db2.gz QIXFXVMYUMOYHL-WDEREUQCSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001575239086 948958054 /nfs/dbraw/zinc/95/80/54/948958054.db2.gz QIXFXVMYUMOYHL-WDEREUQCSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575239053 948959220 /nfs/dbraw/zinc/95/92/20/948959220.db2.gz PRLVNWWXNOEUIW-WDEREUQCSA-N -1 1 380.403 1.353 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001575239398 948961899 /nfs/dbraw/zinc/96/18/99/948961899.db2.gz RJXCBVIZNYLHPU-TUAOUCFPSA-N -1 1 392.414 1.566 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001575239398 948961913 /nfs/dbraw/zinc/96/19/13/948961913.db2.gz RJXCBVIZNYLHPU-TUAOUCFPSA-N -1 1 392.414 1.566 20 0 GDADMM CC(C)c1nnsc1C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574439471 949005719 /nfs/dbraw/zinc/00/57/19/949005719.db2.gz FNCKCMRTFNSTNX-KYZUINATSA-N -1 1 386.445 1.005 20 0 GDADMM CC(C)c1nnsc1C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574439471 949005735 /nfs/dbraw/zinc/00/57/35/949005735.db2.gz FNCKCMRTFNSTNX-KYZUINATSA-N -1 1 386.445 1.005 20 0 GDADMM CC(C)(C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CC1)[C@H]1CCCCO1 ZINC001573774588 949017329 /nfs/dbraw/zinc/01/73/29/949017329.db2.gz OICARESIQRGTKZ-CYBMUJFWSA-N -1 1 386.460 1.313 20 0 GDADMM CC(C)(C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CC1)[C@H]1CCCCO1 ZINC001573774588 949017344 /nfs/dbraw/zinc/01/73/44/949017344.db2.gz OICARESIQRGTKZ-CYBMUJFWSA-N -1 1 386.460 1.313 20 0 GDADMM CC(C)(C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCCC1)C(F)F ZINC001573775274 949042359 /nfs/dbraw/zinc/04/23/59/949042359.db2.gz VLBRPBUSTVLYJU-UHFFFAOYSA-N -1 1 380.403 1.211 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)CCCc1cccnc1 ZINC001574693111 949046059 /nfs/dbraw/zinc/04/60/59/949046059.db2.gz AKUPMHYYAYRJKW-ZDUSSCGKSA-N -1 1 381.444 1.381 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)CCCc1cccnc1 ZINC001574693111 949046078 /nfs/dbraw/zinc/04/60/78/949046078.db2.gz AKUPMHYYAYRJKW-ZDUSSCGKSA-N -1 1 381.444 1.381 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574441146 949051065 /nfs/dbraw/zinc/05/10/65/949051065.db2.gz FYAIQQMAEACGLT-LLVKDONJSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)C1CCCC1 ZINC001573779301 949057033 /nfs/dbraw/zinc/05/70/33/949057033.db2.gz GRIOTKDLZOCKDK-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)C1CCCC1 ZINC001573779301 949057051 /nfs/dbraw/zinc/05/70/51/949057051.db2.gz GRIOTKDLZOCKDK-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)c1occc1C(=O)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574441266 949060020 /nfs/dbraw/zinc/06/00/20/949060020.db2.gz IYAVGAFUIWIBQY-GFCCVEGCSA-N -1 1 382.428 1.947 20 0 GDADMM CC(C)c1occc1C(=O)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574441266 949060028 /nfs/dbraw/zinc/06/00/28/949060028.db2.gz IYAVGAFUIWIBQY-GFCCVEGCSA-N -1 1 382.428 1.947 20 0 GDADMM CC(C)[C@H]1C[C@H](C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)CCO1 ZINC001574092691 949072439 /nfs/dbraw/zinc/07/24/39/949072439.db2.gz PPWZXYCBKATSSZ-IUODEOHRSA-N -1 1 390.513 1.680 20 0 GDADMM CC(C)c1nocc1C(=O)N(C)C1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574441921 949082886 /nfs/dbraw/zinc/08/28/86/949082886.db2.gz FHCUFPOIKKLOAN-UHFFFAOYSA-N -1 1 383.416 1.483 20 0 GDADMM CC(C)c1nocc1C(=O)N(C)C1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574441921 949082906 /nfs/dbraw/zinc/08/29/06/949082906.db2.gz FHCUFPOIKKLOAN-UHFFFAOYSA-N -1 1 383.416 1.483 20 0 GDADMM C[C@@H](CN(C)C(=O)C(C)(C)[C@@H]1CCCCO1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574694743 949090138 /nfs/dbraw/zinc/09/01/38/949090138.db2.gz VWLSRHNQHFYMAW-JSGCOSHPSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CN(C)C(=O)C(C)(C)[C@@H]1CCCCO1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574694743 949090161 /nfs/dbraw/zinc/09/01/61/949090161.db2.gz VWLSRHNQHFYMAW-JSGCOSHPSA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001574442185 949090908 /nfs/dbraw/zinc/09/09/08/949090908.db2.gz LEWIGQYUEIYJEA-GFCCVEGCSA-N -1 1 385.432 1.635 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001574442185 949090929 /nfs/dbraw/zinc/09/09/29/949090929.db2.gz LEWIGQYUEIYJEA-GFCCVEGCSA-N -1 1 385.432 1.635 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)N1CCC(CN(C)c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574093047 949092221 /nfs/dbraw/zinc/09/22/21/949092221.db2.gz QTUZHLXZHBAQBX-HUUCEWRRSA-N -1 1 384.488 1.624 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)N1CCC(CN(C)c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574093047 949092240 /nfs/dbraw/zinc/09/22/40/949092240.db2.gz QTUZHLXZHBAQBX-HUUCEWRRSA-N -1 1 384.488 1.624 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001574442784 949103839 /nfs/dbraw/zinc/10/38/39/949103839.db2.gz UPVUDKCGGFJSJW-LBPRGKRZSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001574442784 949103850 /nfs/dbraw/zinc/10/38/50/949103850.db2.gz UPVUDKCGGFJSJW-LBPRGKRZSA-N -1 1 383.416 1.389 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)CC[C@H]1CC(C)(C)CO1 ZINC001574695229 949106726 /nfs/dbraw/zinc/10/67/26/949106726.db2.gz FRBXHFSAENIDJI-OLZOCXBDSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)CC[C@H]1CC(C)(C)CO1 ZINC001574695229 949106738 /nfs/dbraw/zinc/10/67/38/949106738.db2.gz FRBXHFSAENIDJI-OLZOCXBDSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cccc2c[nH]nc21 ZINC001574695227 949107182 /nfs/dbraw/zinc/10/71/82/949107182.db2.gz FQQDOGCTFLQELN-SNVBAGLBSA-N -1 1 378.400 1.154 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cccc2c[nH]nc21 ZINC001574695227 949107195 /nfs/dbraw/zinc/10/71/95/949107195.db2.gz FQQDOGCTFLQELN-SNVBAGLBSA-N -1 1 378.400 1.154 20 0 GDADMM CC(C)(C(=O)NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1)c1ccccc1 ZINC001573781525 949107475 /nfs/dbraw/zinc/10/74/75/949107475.db2.gz IXWVYMPJDGZVJW-UHFFFAOYSA-N -1 1 392.467 1.720 20 0 GDADMM CC(C)(C(=O)NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1)c1ccccc1 ZINC001573781525 949107487 /nfs/dbraw/zinc/10/74/87/949107487.db2.gz IXWVYMPJDGZVJW-UHFFFAOYSA-N -1 1 392.467 1.720 20 0 GDADMM CC(C)[C@]1(C)C[C@@H]1C(=O)NC1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574093440 949107901 /nfs/dbraw/zinc/10/79/01/949107901.db2.gz YAKXBHHAPSFMKP-YJYMSZOUSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)[C@]1(C)C[C@@H]1C(=O)NC1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574093440 949107909 /nfs/dbraw/zinc/10/79/09/949107909.db2.gz YAKXBHHAPSFMKP-YJYMSZOUSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)Cc1ccccc1Cl ZINC001574695395 949112820 /nfs/dbraw/zinc/11/28/20/949112820.db2.gz GXWGTFHEDBFWNK-NSHDSACASA-N -1 1 386.847 1.860 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)Cc1ccccc1Cl ZINC001574695395 949112831 /nfs/dbraw/zinc/11/28/31/949112831.db2.gz GXWGTFHEDBFWNK-NSHDSACASA-N -1 1 386.847 1.860 20 0 GDADMM CC(C)(C(=O)NCC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)C(F)F ZINC001573782078 949117657 /nfs/dbraw/zinc/11/76/57/949117657.db2.gz QCXCKEKCSWSIAY-SNVBAGLBSA-N -1 1 380.403 1.281 20 0 GDADMM CC(C)(C(=O)NCC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)C(F)F ZINC001573782078 949117664 /nfs/dbraw/zinc/11/76/64/949117664.db2.gz QCXCKEKCSWSIAY-SNVBAGLBSA-N -1 1 380.403 1.281 20 0 GDADMM CC(C)c1cc(C(=O)N[C@@H](C)CCNc2nccnc2-c2nnn[n-]2)n(C)n1 ZINC001574696211 949125374 /nfs/dbraw/zinc/12/53/74/949125374.db2.gz NDIDZUKQFYZUAF-NSHDSACASA-N -1 1 384.448 1.134 20 0 GDADMM CC(C)c1cc(C(=O)N[C@@H](C)CCNc2nccnc2-c2nn[n-]n2)n(C)n1 ZINC001574696211 949125392 /nfs/dbraw/zinc/12/53/92/949125392.db2.gz NDIDZUKQFYZUAF-NSHDSACASA-N -1 1 384.448 1.134 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccc(Cl)s1 ZINC001574696259 949129871 /nfs/dbraw/zinc/12/98/71/949129871.db2.gz OTMPZKYUSOSNKI-QMMMGPOBSA-N -1 1 378.849 1.992 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccc(Cl)s1 ZINC001574696259 949129884 /nfs/dbraw/zinc/12/98/84/949129884.db2.gz OTMPZKYUSOSNKI-QMMMGPOBSA-N -1 1 378.849 1.992 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1ocnc1C(F)F ZINC001574696476 949133787 /nfs/dbraw/zinc/13/37/87/949133787.db2.gz RLCOYJQUQZBPNQ-SSDOTTSWSA-N -1 1 379.331 1.203 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1ocnc1C(F)F ZINC001574696476 949133803 /nfs/dbraw/zinc/13/38/03/949133803.db2.gz RLCOYJQUQZBPNQ-SSDOTTSWSA-N -1 1 379.331 1.203 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)[C@@]1(F)CCOC1 ZINC001574696665 949139330 /nfs/dbraw/zinc/13/93/30/949139330.db2.gz UDLHZGMQBNTZOL-FUXBKTLASA-N -1 1 389.844 1.412 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@@]1(F)CCOC1 ZINC001574696665 949139344 /nfs/dbraw/zinc/13/93/44/949139344.db2.gz UDLHZGMQBNTZOL-FUXBKTLASA-N -1 1 389.844 1.412 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)Cc1ccc(F)c(F)c1 ZINC001574696838 949141406 /nfs/dbraw/zinc/14/14/06/949141406.db2.gz VPABYTFVURKLAT-JTQLQIEISA-N -1 1 388.382 1.484 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)Cc1ccc(F)c(F)c1 ZINC001574696838 949141421 /nfs/dbraw/zinc/14/14/21/949141421.db2.gz VPABYTFVURKLAT-JTQLQIEISA-N -1 1 388.382 1.484 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574446950 949144612 /nfs/dbraw/zinc/14/46/12/949144612.db2.gz CDVJEMRWONVNFO-LLVKDONJSA-N -1 1 383.416 1.024 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574446950 949144620 /nfs/dbraw/zinc/14/46/20/949144620.db2.gz CDVJEMRWONVNFO-LLVKDONJSA-N -1 1 383.416 1.024 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574446952 949147019 /nfs/dbraw/zinc/14/70/19/949147019.db2.gz CMRGCGLSASEZKU-PHIMTYICSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574446952 949147027 /nfs/dbraw/zinc/14/70/27/949147027.db2.gz CMRGCGLSASEZKU-PHIMTYICSA-N -1 1 383.416 1.389 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H](F)Cc1ccccc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574697867 949164258 /nfs/dbraw/zinc/16/42/58/949164258.db2.gz CRXRUYHQTTULIL-GXTWGEPZSA-N -1 1 384.419 1.496 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H](F)Cc1ccccc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574697867 949164270 /nfs/dbraw/zinc/16/42/70/949164270.db2.gz CRXRUYHQTTULIL-GXTWGEPZSA-N -1 1 384.419 1.496 20 0 GDADMM CC(C)c1oncc1C(=O)N1CC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001574448311 949181365 /nfs/dbraw/zinc/18/13/65/949181365.db2.gz HVKMUYAUAIIYST-LLVKDONJSA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1oncc1C(=O)N1CC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001574448311 949181374 /nfs/dbraw/zinc/18/13/74/949181374.db2.gz HVKMUYAUAIIYST-LLVKDONJSA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1oncc1C(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574448307 949182732 /nfs/dbraw/zinc/18/27/32/949182732.db2.gz HRPMEDQVFGHHLH-NSHDSACASA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1oncc1C(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574448307 949182742 /nfs/dbraw/zinc/18/27/42/949182742.db2.gz HRPMEDQVFGHHLH-NSHDSACASA-N -1 1 383.416 1.485 20 0 GDADMM C[C@@H](NC(=O)C1(c2cccnc2)CC1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575253178 949184103 /nfs/dbraw/zinc/18/41/03/949184103.db2.gz JCNBQQPDNKCWHF-NWDGAFQWSA-N -1 1 379.428 1.089 20 0 GDADMM C[C@@H](NC(=O)C1(c2cccnc2)CC1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575253178 949184120 /nfs/dbraw/zinc/18/41/20/949184120.db2.gz JCNBQQPDNKCWHF-NWDGAFQWSA-N -1 1 379.428 1.089 20 0 GDADMM C[C@@H](C(=O)N(C)C[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001574698316 949188458 /nfs/dbraw/zinc/18/84/58/949188458.db2.gz JAQQUILJIKKKSL-NWDGAFQWSA-N -1 1 384.419 1.280 20 0 GDADMM C[C@@H](NC(=O)C1(CCF)CC1)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575254356 949202878 /nfs/dbraw/zinc/20/28/78/949202878.db2.gz MWNIROKKVXHIKS-OLZOCXBDSA-N -1 1 388.451 1.518 20 0 GDADMM C[C@@H](NC(=O)C1(CCF)CC1)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575254356 949202858 /nfs/dbraw/zinc/20/28/58/949202858.db2.gz MWNIROKKVXHIKS-OLZOCXBDSA-N -1 1 388.451 1.518 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(Cl)s1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574936623 949216749 /nfs/dbraw/zinc/21/67/49/949216749.db2.gz JQURPKFWTJDOMF-VIFPVBQESA-N -1 1 392.876 1.555 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001574451520 949231294 /nfs/dbraw/zinc/23/12/94/949231294.db2.gz QQLIVHAKIIWMOS-SNVBAGLBSA-N -1 1 385.457 1.245 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001574451520 949231314 /nfs/dbraw/zinc/23/13/14/949231314.db2.gz QQLIVHAKIIWMOS-SNVBAGLBSA-N -1 1 385.457 1.245 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574451550 949239365 /nfs/dbraw/zinc/23/93/65/949239365.db2.gz SAPHZMCRRYLOTM-PHIMTYICSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574451550 949239389 /nfs/dbraw/zinc/23/93/89/949239389.db2.gz SAPHZMCRRYLOTM-PHIMTYICSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1oncc1C(=O)NCCN(c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001574451766 949240939 /nfs/dbraw/zinc/24/09/39/949240939.db2.gz XTJPMYUXWKHXHL-UHFFFAOYSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1oncc1C(=O)NCCN(c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001574451766 949240961 /nfs/dbraw/zinc/24/09/61/949240961.db2.gz XTJPMYUXWKHXHL-UHFFFAOYSA-N -1 1 383.416 1.167 20 0 GDADMM C[C@]1(c2cccc(NC(=O)c3csc(-c4nn[n-]n4)c3)c2)NC(=O)NC1=O ZINC001575856285 949244546 /nfs/dbraw/zinc/24/45/46/949244546.db2.gz DRCHCYIIFKOIKG-MRXNPFEDSA-N -1 1 383.393 1.235 20 0 GDADMM C[C@H](CNC(=O)Cc1ccccc1Cl)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574940161 949252671 /nfs/dbraw/zinc/25/26/71/949252671.db2.gz ABVPSRULQMPKHR-NSHDSACASA-N -1 1 386.847 1.139 20 0 GDADMM C[C@H](NC(=O)C1(c2cccnc2)CC1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575256436 949253044 /nfs/dbraw/zinc/25/30/44/949253044.db2.gz VIQGGGRQPUPENI-RYUDHWBXSA-N -1 1 379.428 1.089 20 0 GDADMM C[C@H](NC(=O)C1(c2cccnc2)CC1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575256436 949253064 /nfs/dbraw/zinc/25/30/64/949253064.db2.gz VIQGGGRQPUPENI-RYUDHWBXSA-N -1 1 379.428 1.089 20 0 GDADMM C[C@H](NC(=O)C1(c2ccccn2)CC1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575256730 949255521 /nfs/dbraw/zinc/25/55/21/949255521.db2.gz WQPJBTTUMYGHMO-RYUDHWBXSA-N -1 1 379.428 1.089 20 0 GDADMM C[C@H](NC(=O)C1(c2ccccn2)CC1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575256730 949255534 /nfs/dbraw/zinc/25/55/34/949255534.db2.gz WQPJBTTUMYGHMO-RYUDHWBXSA-N -1 1 379.428 1.089 20 0 GDADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)c2ccccc2F)CC1 ZINC001575857223 949265940 /nfs/dbraw/zinc/26/59/40/949265940.db2.gz PVRAMQAQHRGMHV-UHFFFAOYSA-N -1 1 382.403 1.903 20 0 GDADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)c2ccccc2F)CC1 ZINC001575857223 949265961 /nfs/dbraw/zinc/26/59/61/949265961.db2.gz PVRAMQAQHRGMHV-UHFFFAOYSA-N -1 1 382.403 1.903 20 0 GDADMM CC(C)CC(=O)N1CCCC[C@@H]1[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574106063 949266245 /nfs/dbraw/zinc/26/62/45/949266245.db2.gz CZTGYGCMXNODKZ-GOEBONIOSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CC(=O)N1CCCC[C@@H]1[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574106063 949266258 /nfs/dbraw/zinc/26/62/58/949266258.db2.gz CZTGYGCMXNODKZ-GOEBONIOSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](NC(=O)C1CCC(F)(F)CC1)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575257551 949278460 /nfs/dbraw/zinc/27/84/60/949278460.db2.gz AIPNPZHLZXFPPP-NXEZZACHSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@@H](NC(=O)C1CCC(F)(F)CC1)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575257551 949278477 /nfs/dbraw/zinc/27/84/77/949278477.db2.gz AIPNPZHLZXFPPP-NXEZZACHSA-N -1 1 380.403 1.787 20 0 GDADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)CC[C@@H]2CCOC2)CC1 ZINC001575857902 949281113 /nfs/dbraw/zinc/28/11/13/949281113.db2.gz XPJXNLANDSHBLO-CYBMUJFWSA-N -1 1 386.460 1.266 20 0 GDADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)CC[C@@H]2CCOC2)CC1 ZINC001575857902 949281136 /nfs/dbraw/zinc/28/11/36/949281136.db2.gz XPJXNLANDSHBLO-CYBMUJFWSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@@H](NC(=O)C1=COCCO1)[C@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001575258052 949289184 /nfs/dbraw/zinc/28/91/84/949289184.db2.gz DJPYRMROCXAHTN-RQJHMYQMSA-N -1 1 385.837 1.170 20 0 GDADMM C[C@@H](NC(=O)C1=COCCO1)[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575258052 949289204 /nfs/dbraw/zinc/28/92/04/949289204.db2.gz DJPYRMROCXAHTN-RQJHMYQMSA-N -1 1 385.837 1.170 20 0 GDADMM C[C@@H]1CCC[C@]1(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001576153546 949291316 /nfs/dbraw/zinc/29/13/16/949291316.db2.gz MKRXGCPYBNOWRR-PXWIGAEESA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H]1CCC[C@]1(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001576153546 949291324 /nfs/dbraw/zinc/29/13/24/949291324.db2.gz MKRXGCPYBNOWRR-PXWIGAEESA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccco1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001574941414 949308437 /nfs/dbraw/zinc/30/84/37/949308437.db2.gz QGNMUOCMIBNQEE-QMMMGPOBSA-N -1 1 381.849 1.753 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccco1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001574941414 949308455 /nfs/dbraw/zinc/30/84/55/949308455.db2.gz QGNMUOCMIBNQEE-QMMMGPOBSA-N -1 1 381.849 1.753 20 0 GDADMM CC(C)CC(=O)N1CCC[C@H]([C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001574108961 949308753 /nfs/dbraw/zinc/30/87/53/949308753.db2.gz SONOCWNGWVIYRN-LSDHHAIUSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)CC(=O)N1CCC[C@H]([C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001574108961 949308777 /nfs/dbraw/zinc/30/87/77/949308777.db2.gz SONOCWNGWVIYRN-LSDHHAIUSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)CC(=O)N1CCC[C@H]([C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001574108967 949312260 /nfs/dbraw/zinc/31/22/60/949312260.db2.gz SSASKZQMKARHHJ-GJZGRUSLSA-N -1 1 384.488 1.768 20 0 GDADMM CC1=C(C)C[C@H](C(=O)N2CCCN(c3cncc(-c4nnn[n-]4)n3)CC2)CC1 ZINC001575860949 949314609 /nfs/dbraw/zinc/31/46/09/949314609.db2.gz NZHGVVAMYHLPRD-OAHLLOKOSA-N -1 1 382.472 1.832 20 0 GDADMM CC1=C(C)C[C@H](C(=O)N2CCCN(c3cncc(-c4nn[n-]n4)n3)CC2)CC1 ZINC001575860949 949314629 /nfs/dbraw/zinc/31/46/29/949314629.db2.gz NZHGVVAMYHLPRD-OAHLLOKOSA-N -1 1 382.472 1.832 20 0 GDADMM CC(C)n1ccc(C(=O)N2CC[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001574457255 949321423 /nfs/dbraw/zinc/32/14/23/949321423.db2.gz DVSZUJIHSSPBSZ-LBPRGKRZSA-N -1 1 382.432 1.008 20 0 GDADMM CC(C)n1ccc(C(=O)N2CC[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001574457255 949321437 /nfs/dbraw/zinc/32/14/37/949321437.db2.gz DVSZUJIHSSPBSZ-LBPRGKRZSA-N -1 1 382.432 1.008 20 0 GDADMM CC(C)n1ccc(C(=O)N[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C2CC2)n1 ZINC001574457616 949330382 /nfs/dbraw/zinc/33/03/82/949330382.db2.gz LMLCXEFKAOPRAD-ZDUSSCGKSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1ccc(C(=O)N[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C2CC2)n1 ZINC001574457616 949330404 /nfs/dbraw/zinc/33/04/04/949330404.db2.gz LMLCXEFKAOPRAD-ZDUSSCGKSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1ccc(C(=O)N[C@H](CNc2cncc(-c3nnn[n-]3)n2)C2CC2)n1 ZINC001574457630 949332797 /nfs/dbraw/zinc/33/27/97/949332797.db2.gz LVNGVNVFYMJDBJ-CYBMUJFWSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1ccc(C(=O)N[C@H](CNc2cncc(-c3nn[n-]n3)n2)C2CC2)n1 ZINC001574457630 949332821 /nfs/dbraw/zinc/33/28/21/949332821.db2.gz LVNGVNVFYMJDBJ-CYBMUJFWSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1ccc(C(=O)N2CCC(Nc3cnc(-c4nnn[n-]4)cn3)CC2)n1 ZINC001574458643 949341870 /nfs/dbraw/zinc/34/18/70/949341870.db2.gz VSEYJLSRMJGIDR-UHFFFAOYSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1ccc(C(=O)N2CCC(Nc3cnc(-c4nn[n-]n4)cn3)CC2)n1 ZINC001574458643 949341885 /nfs/dbraw/zinc/34/18/85/949341885.db2.gz VSEYJLSRMJGIDR-UHFFFAOYSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cnco1 ZINC001576154539 949345410 /nfs/dbraw/zinc/34/54/10/949345410.db2.gz DMOZUXGQMHEFTP-PIGZYNQJSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cnco1 ZINC001576154539 949345435 /nfs/dbraw/zinc/34/54/35/949345435.db2.gz DMOZUXGQMHEFTP-PIGZYNQJSA-N -1 1 383.416 1.436 20 0 GDADMM CC(C)CC(=O)N1CCO[C@@H](CNc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001574110085 949346986 /nfs/dbraw/zinc/34/69/86/949346986.db2.gz PCXNZPNOVXABDU-VIFPVBQESA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](NC(=O)C1=COCCC1)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575260138 949351100 /nfs/dbraw/zinc/35/11/00/949351100.db2.gz UZGPWDXFVATHHT-CHWSQXEVSA-N -1 1 384.444 1.072 20 0 GDADMM C[C@H]1CCC[C@H](OCC(=O)N(C)CCN(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576154719 949359283 /nfs/dbraw/zinc/35/92/83/949359283.db2.gz RNEOGYHTPYNAJI-KBPBESRZSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@@H]1CCC[C@@]1(C)C(=O)N(C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576154952 949372669 /nfs/dbraw/zinc/37/26/69/949372669.db2.gz SLLOAXGEKNZREN-BFUOFWGJSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCC[C@@]1(C)C(=O)N(C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576154952 949372694 /nfs/dbraw/zinc/37/26/94/949372694.db2.gz SLLOAXGEKNZREN-BFUOFWGJSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2(C)CC(F)(F)C2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575865413 949374679 /nfs/dbraw/zinc/37/46/79/949374679.db2.gz AJMMXFUKUYRJMZ-WDEREUQCSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2(C)CC(F)(F)C2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575865413 949374701 /nfs/dbraw/zinc/37/47/01/949374701.db2.gz AJMMXFUKUYRJMZ-WDEREUQCSA-N -1 1 392.414 1.566 20 0 GDADMM CC1(C)CN(C(=O)C2(C)CCOCC2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575527841 949380655 /nfs/dbraw/zinc/38/06/55/949380655.db2.gz ICDGUMUOCBJQGC-CYBMUJFWSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CN(C(=O)C2(C)CCOCC2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575527841 949380675 /nfs/dbraw/zinc/38/06/75/949380675.db2.gz ICDGUMUOCBJQGC-CYBMUJFWSA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)n1cccc1C(=O)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001574463837 949389942 /nfs/dbraw/zinc/38/99/42/949389942.db2.gz CDZAUMKLMIZRHV-CYBMUJFWSA-N -1 1 381.444 1.756 20 0 GDADMM CC(C)n1cccc1C(=O)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001574463837 949389963 /nfs/dbraw/zinc/38/99/63/949389963.db2.gz CDZAUMKLMIZRHV-CYBMUJFWSA-N -1 1 381.444 1.756 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1CCCCC1(F)F)Nc1nccnc1-c1nnn[n-]1 ZINC001574704580 949398472 /nfs/dbraw/zinc/39/84/72/949398472.db2.gz DCZXTOHPFMFKMA-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1CCCCC1(F)F)Nc1nccnc1-c1nn[n-]n1 ZINC001574704580 949398494 /nfs/dbraw/zinc/39/84/94/949398494.db2.gz DCZXTOHPFMFKMA-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)n1cnc(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001574464168 949400093 /nfs/dbraw/zinc/40/00/93/949400093.db2.gz HUILJBKGTBNKFW-TXEJJXNPSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cnc(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001574464168 949400118 /nfs/dbraw/zinc/40/01/18/949400118.db2.gz HUILJBKGTBNKFW-TXEJJXNPSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cccc1C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574464239 949402885 /nfs/dbraw/zinc/40/28/85/949402885.db2.gz HDVIMLRXACUSCR-CHWSQXEVSA-N -1 1 381.444 1.034 20 0 GDADMM CC1(C(=O)N2CC[C@@H](CCNc3cnc(-c4nnn[n-]4)cn3)C2)CC(F)(F)C1 ZINC001575533180 949411274 /nfs/dbraw/zinc/41/12/74/949411274.db2.gz DYYYKVUUYHBDHA-LLVKDONJSA-N -1 1 392.414 1.743 20 0 GDADMM CC1(C(=O)N2CC[C@@H](CCNc3cnc(-c4nn[n-]n4)cn3)C2)CC(F)(F)C1 ZINC001575533180 949411292 /nfs/dbraw/zinc/41/12/92/949411292.db2.gz DYYYKVUUYHBDHA-LLVKDONJSA-N -1 1 392.414 1.743 20 0 GDADMM C[C@@H]1CCC[C@H]1CC(=O)N(C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576155899 949423966 /nfs/dbraw/zinc/42/39/66/949423966.db2.gz VYAWBNXCRVNBDN-KGLIPLIRSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCC[C@H]1CC(=O)N(C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576155899 949423980 /nfs/dbraw/zinc/42/39/80/949423980.db2.gz VYAWBNXCRVNBDN-KGLIPLIRSA-N -1 1 384.488 1.910 20 0 GDADMM CC1(C(=O)N2CC[C@H](CCNc3ccnc(-c4nn[n-]n4)n3)C2)CCCCC1 ZINC001575534778 949433763 /nfs/dbraw/zinc/43/37/63/949433763.db2.gz PFEHCKIGPYTRMO-AWEZNQCLSA-N -1 1 384.488 1.700 20 0 GDADMM CC(C)n1cccc1C(=O)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574465609 949438567 /nfs/dbraw/zinc/43/85/67/949438567.db2.gz SKGXDFOZAKBUGG-UHFFFAOYSA-N -1 1 381.444 1.392 20 0 GDADMM CC(C)n1cccc1C(=O)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574465609 949438575 /nfs/dbraw/zinc/43/85/75/949438575.db2.gz SKGXDFOZAKBUGG-UHFFFAOYSA-N -1 1 381.444 1.392 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCCC1(F)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574705827 949440159 /nfs/dbraw/zinc/44/01/59/949440159.db2.gz JPKOZEIGAKSVAX-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCCC1(F)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574705827 949440178 /nfs/dbraw/zinc/44/01/78/949440178.db2.gz JPKOZEIGAKSVAX-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@]1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574465706 949442003 /nfs/dbraw/zinc/44/20/03/949442003.db2.gz WWRSARIRZABUDX-GOSISDBHSA-N -1 1 381.444 1.438 20 0 GDADMM C[C@@H](CNC(=O)Cn1ccnc1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574947452 949447603 /nfs/dbraw/zinc/44/76/03/949447603.db2.gz AXUNQHNDZKFHOS-QMMMGPOBSA-N -1 1 381.853 1.038 20 0 GDADMM CC(C)(C)C(=O)NC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCC1(F)F ZINC001573803985 949461870 /nfs/dbraw/zinc/46/18/70/949461870.db2.gz ZDXBUIPBPKSQHD-JTQLQIEISA-N -1 1 380.403 1.281 20 0 GDADMM CC(C)(C)C(=O)NC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCC1(F)F ZINC001573803985 949461885 /nfs/dbraw/zinc/46/18/85/949461885.db2.gz ZDXBUIPBPKSQHD-JTQLQIEISA-N -1 1 380.403 1.281 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2(C(F)F)CCC2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575870280 949486941 /nfs/dbraw/zinc/48/69/41/949486941.db2.gz UGBZMSFVMFSYMU-WDEREUQCSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2(C(F)F)CCC2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575870280 949486949 /nfs/dbraw/zinc/48/69/49/949486949.db2.gz UGBZMSFVMFSYMU-WDEREUQCSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cn[nH]c1 ZINC001576158436 949496251 /nfs/dbraw/zinc/49/62/51/949496251.db2.gz STNDYJOYUQFTBO-APPDUMDISA-N -1 1 382.432 1.171 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cn[nH]c1 ZINC001576158436 949496261 /nfs/dbraw/zinc/49/62/61/949496261.db2.gz STNDYJOYUQFTBO-APPDUMDISA-N -1 1 382.432 1.171 20 0 GDADMM C[C@@H]1CCCC[C@H]1C(=O)N(C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576159025 949511944 /nfs/dbraw/zinc/51/19/44/949511944.db2.gz VWOXWFHLFXTYFJ-UKRRQHHQSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCCC[C@H]1C(=O)N(C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576159025 949511959 /nfs/dbraw/zinc/51/19/59/949511959.db2.gz VWOXWFHLFXTYFJ-UKRRQHHQSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccc[nH]1 ZINC001576159028 949512913 /nfs/dbraw/zinc/51/29/13/949512913.db2.gz VXJAJMJKMPUQNR-KZULUSFZSA-N -1 1 381.444 1.776 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccc[nH]1 ZINC001576159028 949512924 /nfs/dbraw/zinc/51/29/24/949512924.db2.gz VXJAJMJKMPUQNR-KZULUSFZSA-N -1 1 381.444 1.776 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cnco1 ZINC001576159068 949516686 /nfs/dbraw/zinc/51/66/86/949516686.db2.gz WCMRJNXBMQMENU-GTNSWQLSSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cnco1 ZINC001576159068 949516701 /nfs/dbraw/zinc/51/67/01/949516701.db2.gz WCMRJNXBMQMENU-GTNSWQLSSA-N -1 1 383.416 1.436 20 0 GDADMM CC1(C(=O)N2CCC[C@@H]([C@H]3CCN(c4ccc(-c5nnn[n-]5)nn4)C3)C2)CC1 ZINC001575538218 949519377 /nfs/dbraw/zinc/51/93/77/949519377.db2.gz FCJPYUUPWRYUTI-KGLIPLIRSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C(=O)N2CCC[C@@H]([C@H]3CCN(c4ccc(-c5nn[n-]n5)nn4)C3)C2)CC1 ZINC001575538218 949519388 /nfs/dbraw/zinc/51/93/88/949519388.db2.gz FCJPYUUPWRYUTI-KGLIPLIRSA-N -1 1 382.472 1.522 20 0 GDADMM CC(C)n1nnnc1-c1cccc(NC(=O)c2cccc(-c3nnn[n-]3)n2)c1 ZINC001574471143 949525683 /nfs/dbraw/zinc/52/56/83/949525683.db2.gz KEMMPKDJIBLOSS-UHFFFAOYSA-N -1 1 376.384 1.748 20 0 GDADMM CC(C)n1nnnc1-c1cccc(NC(=O)c2cccc(-c3nn[n-]n3)n2)c1 ZINC001574471143 949525709 /nfs/dbraw/zinc/52/57/09/949525709.db2.gz KEMMPKDJIBLOSS-UHFFFAOYSA-N -1 1 376.384 1.748 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1Cc2ccc(F)cc21)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574711142 949526133 /nfs/dbraw/zinc/52/61/33/949526133.db2.gz DNLKZWQVAAGGGC-YGRLFVJLSA-N -1 1 382.403 1.395 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1Cc2ccc(F)cc21)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574711142 949526154 /nfs/dbraw/zinc/52/61/54/949526154.db2.gz DNLKZWQVAAGGGC-YGRLFVJLSA-N -1 1 382.403 1.395 20 0 GDADMM C[C@@H]1CCCC[C@H]1OCC(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001576163970 949543668 /nfs/dbraw/zinc/54/36/68/949543668.db2.gz DVAWIDGAZGVMGN-AAVRWANBSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H]1CCCC[C@H]1OCC(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001576163970 949543687 /nfs/dbraw/zinc/54/36/87/949543687.db2.gz DVAWIDGAZGVMGN-AAVRWANBSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@H]1[C@H](NC(=O)CC2CC(C)(C)C2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575872526 949547067 /nfs/dbraw/zinc/54/70/67/949547067.db2.gz JLDZFRVHGHCIEM-GXTWGEPZSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H]1[C@H](NC(=O)CC2CC(C)(C)C2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575872526 949547082 /nfs/dbraw/zinc/54/70/82/949547082.db2.gz JLDZFRVHGHCIEM-GXTWGEPZSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)C[C@H](C)c1ccncc1 ZINC001574472176 949547984 /nfs/dbraw/zinc/54/79/84/949547984.db2.gz REBAZGMAABQCNR-QWHCGFSZSA-N -1 1 381.444 1.504 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)C[C@H](C)c1ccncc1 ZINC001574472176 949548007 /nfs/dbraw/zinc/54/80/07/949548007.db2.gz REBAZGMAABQCNR-QWHCGFSZSA-N -1 1 381.444 1.504 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC(F)(F)F)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576164520 949556683 /nfs/dbraw/zinc/55/66/83/949556683.db2.gz GVQTUDSPOPNYMH-ZJUUUORDSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC(F)(F)F)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576164520 949556707 /nfs/dbraw/zinc/55/67/07/949556707.db2.gz GVQTUDSPOPNYMH-ZJUUUORDSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](Nc1nc(Cl)c(-c2nnn[n-]2)s1)[C@H](C)NC(=O)CC1(O)CCC1 ZINC001575270178 949576216 /nfs/dbraw/zinc/57/62/16/949576216.db2.gz YJLGYCWJBCIZMY-JGVFFNPUSA-N -1 1 385.881 1.587 20 0 GDADMM C[C@@H](Nc1nc(Cl)c(-c2nn[n-]n2)s1)[C@H](C)NC(=O)CC1(O)CCC1 ZINC001575270178 949576230 /nfs/dbraw/zinc/57/62/30/949576230.db2.gz YJLGYCWJBCIZMY-JGVFFNPUSA-N -1 1 385.881 1.587 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1Cc2ccc(F)cc21)Nc1nccnc1-c1nnn[n-]1 ZINC001574712665 949583897 /nfs/dbraw/zinc/58/38/97/949583897.db2.gz SRYMNCDAJWOFMV-YGRLFVJLSA-N -1 1 382.403 1.395 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1Cc2ccc(F)cc21)Nc1nccnc1-c1nn[n-]n1 ZINC001574712665 949583916 /nfs/dbraw/zinc/58/39/16/949583916.db2.gz SRYMNCDAJWOFMV-YGRLFVJLSA-N -1 1 382.403 1.395 20 0 GDADMM C[C@@H](CC(=O)N(C)CCCN(C)c1cnc(-c2nnn[n-]2)cn1)n1cccc1 ZINC001574475981 949585184 /nfs/dbraw/zinc/58/51/84/949585184.db2.gz DTPHZBMFKMTFGL-AWEZNQCLSA-N -1 1 383.460 1.394 20 0 GDADMM C[C@@H](CC(=O)N(C)CCCN(C)c1cnc(-c2nn[n-]n2)cn1)n1cccc1 ZINC001574475981 949585194 /nfs/dbraw/zinc/58/51/94/949585194.db2.gz DTPHZBMFKMTFGL-AWEZNQCLSA-N -1 1 383.460 1.394 20 0 GDADMM CC1(C(=O)N2CCCC[C@]3(CCN(c4cncc(-c5nnn[n-]5)n4)C3)C2)CC1 ZINC001575545545 949600585 /nfs/dbraw/zinc/60/05/85/949600585.db2.gz LLIDAIZSLXPAGF-LJQANCHMSA-N -1 1 382.472 1.666 20 0 GDADMM CC1(C(=O)N2CCCC[C@]3(CCN(c4cncc(-c5nn[n-]n5)n4)C3)C2)CC1 ZINC001575545545 949600606 /nfs/dbraw/zinc/60/06/06/949600606.db2.gz LLIDAIZSLXPAGF-LJQANCHMSA-N -1 1 382.472 1.666 20 0 GDADMM C[C@@H]1CCCC[C@@H]1CC(=O)NCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001576167297 949609989 /nfs/dbraw/zinc/60/99/89/949609989.db2.gz CFGGQZKXVXJDEY-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCCC[C@@H]1CC(=O)NCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001576167297 949610003 /nfs/dbraw/zinc/61/00/03/949610003.db2.gz CFGGQZKXVXJDEY-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](C)NC(=O)CCCc1ccccn1 ZINC001575271564 949620694 /nfs/dbraw/zinc/62/06/94/949620694.db2.gz KTCYEAOMUMBAFQ-OLZOCXBDSA-N -1 1 381.444 1.380 20 0 GDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](C)NC(=O)CCCc1ccccn1 ZINC001575271564 949620703 /nfs/dbraw/zinc/62/07/03/949620703.db2.gz KTCYEAOMUMBAFQ-OLZOCXBDSA-N -1 1 381.444 1.380 20 0 GDADMM CC1(C(=O)N2CCCO[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CCCC1 ZINC001575547298 949626461 /nfs/dbraw/zinc/62/64/61/949626461.db2.gz WXJSTNCQZOGCQK-CYBMUJFWSA-N -1 1 386.460 1.266 20 0 GDADMM CC1(C(=O)N2CCCO[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CCCC1 ZINC001575547298 949626470 /nfs/dbraw/zinc/62/64/70/949626470.db2.gz WXJSTNCQZOGCQK-CYBMUJFWSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@@H](CC(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1)c1cccc(F)c1 ZINC001574477000 949633340 /nfs/dbraw/zinc/63/33/40/949633340.db2.gz JHOPFEWRZCLBGA-LBPRGKRZSA-N -1 1 384.419 1.860 20 0 GDADMM C[C@@H](CC(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1)c1cccc(F)c1 ZINC001574477000 949633353 /nfs/dbraw/zinc/63/33/53/949633353.db2.gz JHOPFEWRZCLBGA-LBPRGKRZSA-N -1 1 384.419 1.860 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1C(C)(C)C1(C)C ZINC001573814154 949633962 /nfs/dbraw/zinc/63/39/62/949633962.db2.gz ATTOGSFNZOQTNA-LLVKDONJSA-N -1 1 386.504 1.704 20 0 GDADMM C[C@@H]1CCCC[C@H]1C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001576168352 949634771 /nfs/dbraw/zinc/63/47/71/949634771.db2.gz GMQBBROWXRTITC-TZMCWYRMSA-N -1 1 390.513 1.417 20 0 GDADMM C[C@@H](CC(=O)N(C)CCN(C)c1ccnc(-c2nn[n-]n2)n1)c1ccncc1 ZINC001574477060 949634989 /nfs/dbraw/zinc/63/49/89/949634989.db2.gz OKOGONJGFJNFJT-ZDUSSCGKSA-N -1 1 381.444 1.140 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)Cc1ccccc1 ZINC001573814636 949643087 /nfs/dbraw/zinc/64/30/87/949643087.db2.gz DWHIOUOENRSVLT-OAHLLOKOSA-N -1 1 380.456 1.842 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)Cc1ccccc1 ZINC001573814636 949643104 /nfs/dbraw/zinc/64/31/04/949643104.db2.gz DWHIOUOENRSVLT-OAHLLOKOSA-N -1 1 380.456 1.842 20 0 GDADMM C[C@@H](CNC(=O)[C@]12C[C@H]1COC2)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574958201 949654699 /nfs/dbraw/zinc/65/46/99/949654699.db2.gz NWONROIPDUJUJN-FZVNPBSJSA-N -1 1 383.865 1.177 20 0 GDADMM C[C@H](CN(C)C(=O)CCCC1CCOCC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574715491 949657488 /nfs/dbraw/zinc/65/74/88/949657488.db2.gz DEZPFXFBTINUFS-CYBMUJFWSA-N -1 1 388.476 1.512 20 0 GDADMM C[C@H](CN(C)C(=O)CCCC1CCOCC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574715491 949657503 /nfs/dbraw/zinc/65/75/03/949657503.db2.gz DEZPFXFBTINUFS-CYBMUJFWSA-N -1 1 388.476 1.512 20 0 GDADMM C[C@@H](NC(=O)CCC1CCC1)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575273596 949669235 /nfs/dbraw/zinc/66/92/35/949669235.db2.gz XGEUHPQKCOWXOC-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](NC(=O)CCC1CCC1)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575273596 949669247 /nfs/dbraw/zinc/66/92/47/949669247.db2.gz XGEUHPQKCOWXOC-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H]1CCCOCC1 ZINC001573816173 949671183 /nfs/dbraw/zinc/67/11/83/949671183.db2.gz PLCREYBFEIQNTH-JSGCOSHPSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H]1CCCOCC1 ZINC001573816173 949671189 /nfs/dbraw/zinc/67/11/89/949671189.db2.gz PLCREYBFEIQNTH-JSGCOSHPSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[nH]n2)cn1)NC(=O)c1ncccc1[O-] ZINC001573816146 949671742 /nfs/dbraw/zinc/67/17/42/949671742.db2.gz OWZXZENLNXHYBJ-CYBMUJFWSA-N -1 1 382.428 1.619 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001574477632 949671957 /nfs/dbraw/zinc/67/19/57/949671957.db2.gz SUAQZHKZLGHCPL-STQMWFEESA-N -1 1 382.428 1.481 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001574477632 949671968 /nfs/dbraw/zinc/67/19/68/949671968.db2.gz SUAQZHKZLGHCPL-STQMWFEESA-N -1 1 382.428 1.481 20 0 GDADMM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1cncc(-c2nnn[n-]2)n1)CC(C)(C)C ZINC001574477729 949674841 /nfs/dbraw/zinc/67/48/41/949674841.db2.gz UMNYAIQYPGRPCR-QWHCGFSZSA-N -1 1 390.492 1.350 20 0 GDADMM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1cncc(-c2nn[n-]n2)n1)CC(C)(C)C ZINC001574477729 949674858 /nfs/dbraw/zinc/67/48/58/949674858.db2.gz UMNYAIQYPGRPCR-QWHCGFSZSA-N -1 1 390.492 1.350 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1ncccc1F ZINC001573816410 949681595 /nfs/dbraw/zinc/68/15/95/949681595.db2.gz SKXDMZIWOXYLKT-GFCCVEGCSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ncccc1F ZINC001573816410 949681602 /nfs/dbraw/zinc/68/16/02/949681602.db2.gz SKXDMZIWOXYLKT-GFCCVEGCSA-N -1 1 385.407 1.447 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574958712 949690522 /nfs/dbraw/zinc/69/05/22/949690522.db2.gz MVXHWNNJFDZOMM-IAMHBRQHSA-N -1 1 392.467 1.221 20 0 GDADMM C[C@H](CC(=O)N(C)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccccc1 ZINC001574478113 949697464 /nfs/dbraw/zinc/69/74/64/949697464.db2.gz XSKITDGKVVZRFP-ZBFHGGJFSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@H](CC(=O)N(C)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccccc1 ZINC001574478113 949697480 /nfs/dbraw/zinc/69/74/80/949697480.db2.gz XSKITDGKVVZRFP-ZBFHGGJFSA-N -1 1 392.467 1.888 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N1CC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001574132680 949700174 /nfs/dbraw/zinc/70/01/74/949700174.db2.gz AQAOLNQPBVHROL-SOUVJXGZSA-N -1 1 384.488 1.766 20 0 GDADMM C[C@H]1CCCN(C(=O)CCC(F)F)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576170011 949702610 /nfs/dbraw/zinc/70/26/10/949702610.db2.gz IOUOINZMNDOKHK-CMPLNLGQSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H]1CCCN(C(=O)CCC(F)F)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576170011 949702618 /nfs/dbraw/zinc/70/26/18/949702618.db2.gz IOUOINZMNDOKHK-CMPLNLGQSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CC(=O)N(C)CCCN(C)c1cncc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001574478307 949702831 /nfs/dbraw/zinc/70/28/31/949702831.db2.gz YISDKPBAUFPPBE-JTQLQIEISA-N -1 1 386.382 1.530 20 0 GDADMM C[C@@H](CC(=O)N(C)CCCN(C)c1cncc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001574478307 949702841 /nfs/dbraw/zinc/70/28/41/949702841.db2.gz YISDKPBAUFPPBE-JTQLQIEISA-N -1 1 386.382 1.530 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CCC(F)(F)F)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575880651 949705728 /nfs/dbraw/zinc/70/57/28/949705728.db2.gz VEVFAPRFVJBNOS-ZJUUUORDSA-N -1 1 384.366 1.473 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CCC(F)(F)F)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575880651 949705743 /nfs/dbraw/zinc/70/57/43/949705743.db2.gz VEVFAPRFVJBNOS-ZJUUUORDSA-N -1 1 384.366 1.473 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CC1CCOCC1 ZINC001573817855 949710420 /nfs/dbraw/zinc/71/04/20/949710420.db2.gz BWKGTRDVPFSCTN-CQSZACIVSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CC1CCOCC1 ZINC001573817855 949710439 /nfs/dbraw/zinc/71/04/39/949710439.db2.gz BWKGTRDVPFSCTN-CQSZACIVSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C1CCCCC1 ZINC001574479302 949732138 /nfs/dbraw/zinc/73/21/38/949732138.db2.gz DMXPCGFMHGOMGQ-ZFWWWQNUSA-N -1 1 384.488 1.698 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)Cc1cccs1 ZINC001573818682 949740818 /nfs/dbraw/zinc/74/08/18/949740818.db2.gz OBRRRPHBBRJNSS-ZDUSSCGKSA-N -1 1 386.485 1.904 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)Cc1cccs1 ZINC001573818682 949740831 /nfs/dbraw/zinc/74/08/31/949740831.db2.gz OBRRRPHBBRJNSS-ZDUSSCGKSA-N -1 1 386.485 1.904 20 0 GDADMM C[C@@H]1CCCN(C(=O)CCCF)[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001576170847 949744227 /nfs/dbraw/zinc/74/42/27/949744227.db2.gz NXTAEFAFQSLKMT-OLZOCXBDSA-N -1 1 376.440 1.836 20 0 GDADMM C[C@@H]1CCCN(C(=O)CCCF)[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001576170847 949744241 /nfs/dbraw/zinc/74/42/41/949744241.db2.gz NXTAEFAFQSLKMT-OLZOCXBDSA-N -1 1 376.440 1.836 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)Cc1cncs1 ZINC001573818981 949747247 /nfs/dbraw/zinc/74/72/47/949747247.db2.gz QEFXABOUOGKPDX-GFCCVEGCSA-N -1 1 387.473 1.299 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)Cc1cncs1 ZINC001573818981 949747263 /nfs/dbraw/zinc/74/72/63/949747263.db2.gz QEFXABOUOGKPDX-GFCCVEGCSA-N -1 1 387.473 1.299 20 0 GDADMM C[C@H](CC(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1)c1ccco1 ZINC001574480454 949754452 /nfs/dbraw/zinc/75/44/52/949754452.db2.gz IPWVVGFAHNAACW-GFCCVEGCSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@H](CC(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1)c1ccco1 ZINC001574480454 949754467 /nfs/dbraw/zinc/75/44/67/949754467.db2.gz IPWVVGFAHNAACW-GFCCVEGCSA-N -1 1 382.428 1.846 20 0 GDADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cccc(F)c1 ZINC001573819781 949760670 /nfs/dbraw/zinc/76/06/70/949760670.db2.gz VDKVKWKMBYCBDP-ZDUSSCGKSA-N -1 1 384.419 1.474 20 0 GDADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccc(Cl)[nH]1 ZINC001573820273 949762688 /nfs/dbraw/zinc/76/26/88/949762688.db2.gz WYRNZGWGLSKAKO-JTQLQIEISA-N -1 1 389.851 1.317 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccc(Cl)[nH]1 ZINC001573820274 949765631 /nfs/dbraw/zinc/76/56/31/949765631.db2.gz WYRNZGWGLSKAKO-SNVBAGLBSA-N -1 1 389.851 1.317 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)Cc1cccs1 ZINC001573821705 949776940 /nfs/dbraw/zinc/77/69/40/949776940.db2.gz CVRGVSWOXXHHON-LBPRGKRZSA-N -1 1 386.485 1.904 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)Cc1cccs1 ZINC001573821705 949776962 /nfs/dbraw/zinc/77/69/62/949776962.db2.gz CVRGVSWOXXHHON-LBPRGKRZSA-N -1 1 386.485 1.904 20 0 GDADMM C[C@H](CC(=O)N(C)C[C@H](C)Nc1nccnc1-c1nnn[n-]1)c1ccncc1 ZINC001574718343 949778703 /nfs/dbraw/zinc/77/87/03/949778703.db2.gz ZZOXHRMZKHRNSH-OLZOCXBDSA-N -1 1 381.444 1.504 20 0 GDADMM C[C@H](CC(=O)N(C)C[C@H](C)Nc1nccnc1-c1nn[n-]n1)c1ccncc1 ZINC001574718343 949778720 /nfs/dbraw/zinc/77/87/20/949778720.db2.gz ZZOXHRMZKHRNSH-OLZOCXBDSA-N -1 1 381.444 1.504 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1C[C@@H]1C(F)F ZINC001573821784 949778739 /nfs/dbraw/zinc/77/87/39/949778739.db2.gz DJXHXHRWKBMXEL-LPEHRKFASA-N -1 1 380.403 1.501 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1C[C@@H]1C(F)F ZINC001573821784 949778759 /nfs/dbraw/zinc/77/87/59/949778759.db2.gz DJXHXHRWKBMXEL-LPEHRKFASA-N -1 1 380.403 1.501 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1ccco1 ZINC001574481563 949788357 /nfs/dbraw/zinc/78/83/57/949788357.db2.gz RNMMOFKBEOVCTE-STQMWFEESA-N -1 1 382.428 1.704 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574481563 949788375 /nfs/dbraw/zinc/78/83/75/949788375.db2.gz RNMMOFKBEOVCTE-STQMWFEESA-N -1 1 382.428 1.704 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CCCOCC1 ZINC001573822437 949793414 /nfs/dbraw/zinc/79/34/14/949793414.db2.gz JHNDSUSQHSBYQC-QWHCGFSZSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CCCOCC1 ZINC001573822437 949793435 /nfs/dbraw/zinc/79/34/35/949793435.db2.gz JHNDSUSQHSBYQC-QWHCGFSZSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@H]1CCCN(C(=O)COCC2CC2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576172306 949800873 /nfs/dbraw/zinc/80/08/73/949800873.db2.gz WGNXAJFVKMTJGC-GXTWGEPZSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H]1CCCN(C(=O)COCC2CC2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576172306 949800897 /nfs/dbraw/zinc/80/08/97/949800897.db2.gz WGNXAJFVKMTJGC-GXTWGEPZSA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)C[C@H](C)CC(=O)NCC1=CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574139041 949807760 /nfs/dbraw/zinc/80/77/60/949807760.db2.gz HZSRTKWWZKYKIQ-AWEZNQCLSA-N -1 1 384.488 1.982 20 0 GDADMM C[C@@H]1CCCN(C(=O)CCCF)[C@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576172896 949828727 /nfs/dbraw/zinc/82/87/27/949828727.db2.gz ZANGTWZNHJJQCE-OCCSQVGLSA-N -1 1 376.440 1.836 20 0 GDADMM C[C@@H]1CCCN(C(=O)CCCF)[C@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576172896 949828746 /nfs/dbraw/zinc/82/87/46/949828746.db2.gz ZANGTWZNHJJQCE-OCCSQVGLSA-N -1 1 376.440 1.836 20 0 GDADMM C[C@@H](CN(C)C(=O)CCCc1ccccc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574722278 949831466 /nfs/dbraw/zinc/83/14/66/949831466.db2.gz ROVKJSPGQJQHFL-AWEZNQCLSA-N -1 1 380.456 1.360 20 0 GDADMM C[C@H](C(=O)[O-])N(C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O)C1CC1 ZINC001602814972 971612184 /nfs/dbraw/zinc/61/21/84/971612184.db2.gz JZVKCRXBFRZYDN-LLVKDONJSA-N -1 1 382.438 1.254 20 0 GDADMM C[C@H]1CC[C@H](C(=O)N[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)[C@H]2C)CC1 ZINC001575884652 949845561 /nfs/dbraw/zinc/84/55/61/949845561.db2.gz VFIPHLMFVGZIAY-ZQDZILKHSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H]1CC[C@H](C(=O)N[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)[C@H]2C)CC1 ZINC001575884652 949845583 /nfs/dbraw/zinc/84/55/83/949845583.db2.gz VFIPHLMFVGZIAY-ZQDZILKHSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H](NC(=O)Cc1cc(C2CC2)no1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575282737 949846322 /nfs/dbraw/zinc/84/63/22/949846322.db2.gz MHLARRRAIRMJPW-UWVGGRQHSA-N -1 1 383.416 1.070 20 0 GDADMM C[C@H](NC(=O)Cc1cc(C2CC2)no1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575282737 949846336 /nfs/dbraw/zinc/84/63/36/949846336.db2.gz MHLARRRAIRMJPW-UWVGGRQHSA-N -1 1 383.416 1.070 20 0 GDADMM CC(C)(C)C1CC(C(=O)N2CC[C@H](CNc3nccnc3-c3nnn[n-]3)C2)C1 ZINC001573824981 949857272 /nfs/dbraw/zinc/85/72/72/949857272.db2.gz JVLIPSKXSQNLCP-IYXRBSQSSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)(C)C1CC(C(=O)N2CC[C@H](CNc3nccnc3-c3nn[n-]n3)C2)C1 ZINC001573824981 949857290 /nfs/dbraw/zinc/85/72/90/949857290.db2.gz JVLIPSKXSQNLCP-IYXRBSQSSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H](CN(C)C(=O)CN(C)c1ccccc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574723683 949857656 /nfs/dbraw/zinc/85/76/56/949857656.db2.gz BKPPGBXMJBXUOA-ZDUSSCGKSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](CN(C)C(=O)CN(C)c1ccccc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574723683 949857679 /nfs/dbraw/zinc/85/76/79/949857679.db2.gz BKPPGBXMJBXUOA-ZDUSSCGKSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@H]1CCCN(C(=O)c2nccs2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576177804 949858232 /nfs/dbraw/zinc/85/82/32/949858232.db2.gz BRFKYYDMJKSHAH-JQWIXIFHSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H]1CCCN(C(=O)c2nccs2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576177804 949858251 /nfs/dbraw/zinc/85/82/51/949858251.db2.gz BRFKYYDMJKSHAH-JQWIXIFHSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H](Nc1nc(-c2nn[n-]n2)c(Cl)s1)[C@H](C)NC(=O)COCC1CC1 ZINC001575283129 949862234 /nfs/dbraw/zinc/86/22/34/949862234.db2.gz NNEDMLVTIITNRL-JGVFFNPUSA-N -1 1 385.881 1.708 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H](C)NC(=O)Cc1c(F)cccc1F ZINC001575283434 949872241 /nfs/dbraw/zinc/87/22/41/949872241.db2.gz OVQOSBZLRCRIRT-VHSXEESVSA-N -1 1 388.382 1.483 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H](C)NC(=O)Cc1c(F)cccc1F ZINC001575283434 949872261 /nfs/dbraw/zinc/87/22/61/949872261.db2.gz OVQOSBZLRCRIRT-VHSXEESVSA-N -1 1 388.382 1.483 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccn(C)c2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576177970 949873213 /nfs/dbraw/zinc/87/32/13/949873213.db2.gz AFTZKDNZNZLBAH-SWLSCSKDSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccn(C)c2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576177970 949873232 /nfs/dbraw/zinc/87/32/32/949873232.db2.gz AFTZKDNZNZLBAH-SWLSCSKDSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@H]1[C@@H](NC(=O)Cc2ccsc2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575886230 949878922 /nfs/dbraw/zinc/87/89/22/949878922.db2.gz XPGIVXHVKNDTLR-AAEUAGOBSA-N -1 1 384.469 1.434 20 0 GDADMM C[C@H]1[C@@H](NC(=O)Cc2ccsc2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575886230 949878943 /nfs/dbraw/zinc/87/89/43/949878943.db2.gz XPGIVXHVKNDTLR-AAEUAGOBSA-N -1 1 384.469 1.434 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574143358 949891893 /nfs/dbraw/zinc/89/18/93/949891893.db2.gz GSOJSWJJLCUWLK-UONOGXRCSA-N -1 1 388.476 1.193 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574143358 949891911 /nfs/dbraw/zinc/89/19/11/949891911.db2.gz GSOJSWJJLCUWLK-UONOGXRCSA-N -1 1 388.476 1.193 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574484890 949908099 /nfs/dbraw/zinc/90/80/99/949908099.db2.gz QUXIOETYTGGHDN-ZBFHGGJFSA-N -1 1 392.467 1.675 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1)C(F)(F)F ZINC001574484898 949910691 /nfs/dbraw/zinc/91/06/91/949910691.db2.gz RBCPIMPTGNIMSG-ZJUUUORDSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1)C(F)(F)F ZINC001574484898 949910707 /nfs/dbraw/zinc/91/07/07/949910707.db2.gz RBCPIMPTGNIMSG-ZJUUUORDSA-N -1 1 384.366 1.648 20 0 GDADMM CC1(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CCC(F)(F)CC1 ZINC001575569323 949911175 /nfs/dbraw/zinc/91/11/75/949911175.db2.gz IYIKLEIKEPWJMI-LLVKDONJSA-N -1 1 392.414 1.567 20 0 GDADMM CC1(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CCC(F)(F)CC1 ZINC001575569323 949911203 /nfs/dbraw/zinc/91/12/03/949911203.db2.gz IYIKLEIKEPWJMI-LLVKDONJSA-N -1 1 392.414 1.567 20 0 GDADMM C[C@H](NC(=O)COC(C)(C)C)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575284753 949915899 /nfs/dbraw/zinc/91/58/99/949915899.db2.gz WKBOWQQWWOLOOA-STQMWFEESA-N -1 1 388.476 1.193 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574145574 949931305 /nfs/dbraw/zinc/93/13/05/949931305.db2.gz UMSRWKDSXSCQQA-MGPQQGTHSA-N -1 1 388.476 1.557 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574145574 949931320 /nfs/dbraw/zinc/93/13/20/949931320.db2.gz UMSRWKDSXSCQQA-MGPQQGTHSA-N -1 1 388.476 1.557 20 0 GDADMM C[C@H]1CCN(C(=O)C2CC(F)(F)C2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576180147 949937253 /nfs/dbraw/zinc/93/72/53/949937253.db2.gz CJQZMWLPWQERCU-JQWIXIFHSA-N -1 1 392.414 1.020 20 0 GDADMM C[C@@H]1CCN(C(=O)COC(C)(C)C)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576180129 949941075 /nfs/dbraw/zinc/94/10/75/949941075.db2.gz CHLAZVPUEXNKNM-OLZOCXBDSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@@H]1CCN(C(=O)COC(C)(C)C)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576180129 949941099 /nfs/dbraw/zinc/94/10/99/949941099.db2.gz CHLAZVPUEXNKNM-OLZOCXBDSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccsn2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576180465 949956204 /nfs/dbraw/zinc/95/62/04/949956204.db2.gz IIUKFHFCZRZGGJ-GWCFXTLKSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccsn2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576180465 949956216 /nfs/dbraw/zinc/95/62/16/949956216.db2.gz IIUKFHFCZRZGGJ-GWCFXTLKSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H]1CCN(C(=O)C2CC3(CC3)C2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576180588 949967281 /nfs/dbraw/zinc/96/72/81/949967281.db2.gz FKJFZHHBKXAPNW-JSGCOSHPSA-N -1 1 382.472 1.165 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1)c1ccncc1 ZINC001574489938 949975813 /nfs/dbraw/zinc/97/58/13/949975813.db2.gz LVFNYODDBGEVHH-QEJZJMRPSA-N -1 1 391.439 1.035 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1)c1ccncc1 ZINC001574489938 949975832 /nfs/dbraw/zinc/97/58/32/949975832.db2.gz LVFNYODDBGEVHH-QEJZJMRPSA-N -1 1 391.439 1.035 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1c(F)cccc1F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574728612 949994998 /nfs/dbraw/zinc/99/49/98/949994998.db2.gz FIUJEPOXGQTJHO-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1c(F)cccc1F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574728612 949995012 /nfs/dbraw/zinc/99/50/12/949995012.db2.gz FIUJEPOXGQTJHO-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1)CC(C)(C)C ZINC001574490671 950011157 /nfs/dbraw/zinc/01/11/57/950011157.db2.gz XDKVARFTANBHET-IHRRRGAJSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1)CC(C)(C)C ZINC001574490671 950011179 /nfs/dbraw/zinc/01/11/79/950011179.db2.gz XDKVARFTANBHET-IHRRRGAJSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1)c1ccncc1 ZINC001574490735 950019679 /nfs/dbraw/zinc/01/96/79/950019679.db2.gz XVGRFFZJYDOCPZ-QEJZJMRPSA-N -1 1 391.439 1.035 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1)c1ccncc1 ZINC001574490735 950019702 /nfs/dbraw/zinc/01/97/02/950019702.db2.gz XVGRFFZJYDOCPZ-QEJZJMRPSA-N -1 1 391.439 1.035 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ccccc1Cl)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574731581 950059747 /nfs/dbraw/zinc/05/97/47/950059747.db2.gz XPAIPOASUVSYCF-NSHDSACASA-N -1 1 386.847 1.812 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ccccc1Cl)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574731581 950059768 /nfs/dbraw/zinc/05/97/68/950059768.db2.gz XPAIPOASUVSYCF-NSHDSACASA-N -1 1 386.847 1.812 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cocn2)[C@@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576182677 950060086 /nfs/dbraw/zinc/06/00/86/950060086.db2.gz OVECHYJHYWGFDY-SMDDNHRTSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cocn2)[C@@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576182677 950060110 /nfs/dbraw/zinc/06/01/10/950060110.db2.gz OVECHYJHYWGFDY-SMDDNHRTSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574492143 950065421 /nfs/dbraw/zinc/06/54/21/950065421.db2.gz JQVLPSPYEBSRGT-STQMWFEESA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H]1CCN(C(=O)C2=COCCC2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576182875 950065630 /nfs/dbraw/zinc/06/56/30/950065630.db2.gz NTZZIKWTUALKQB-GXTWGEPZSA-N -1 1 384.444 1.248 20 0 GDADMM C[C@H]1CCN(C(=O)C2=COCCC2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576182875 950065646 /nfs/dbraw/zinc/06/56/46/950065646.db2.gz NTZZIKWTUALKQB-GXTWGEPZSA-N -1 1 384.444 1.248 20 0 GDADMM C[C@H](CN(C)C(=O)OC(C)(C)C)NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001574732261 950069791 /nfs/dbraw/zinc/06/97/91/950069791.db2.gz IBGJEAZYRHBKFG-SNVBAGLBSA-N -1 1 376.421 1.639 20 0 GDADMM C[C@H](CN(C)C(=O)OC(C)(C)C)NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001574732261 950069816 /nfs/dbraw/zinc/06/98/16/950069816.db2.gz IBGJEAZYRHBKFG-SNVBAGLBSA-N -1 1 376.421 1.639 20 0 GDADMM C[C@@H](CC(=O)N[C@@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001574492484 950085674 /nfs/dbraw/zinc/08/56/74/950085674.db2.gz NHRLBWKONXATII-XPTSAGLGSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](CC(=O)N[C@@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001574492484 950085695 /nfs/dbraw/zinc/08/56/95/950085695.db2.gz NHRLBWKONXATII-XPTSAGLGSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cccn2C)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576183423 950090100 /nfs/dbraw/zinc/09/01/00/950090100.db2.gz RRAVFQTURQRYSM-DOMZBBRYSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cccn2C)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576183423 950090122 /nfs/dbraw/zinc/09/01/22/950090122.db2.gz RRAVFQTURQRYSM-DOMZBBRYSA-N -1 1 381.444 1.348 20 0 GDADMM O=C([O-])C1CCN(c2ccc(CN3CCC([C@@H]4COC(=O)N4)CC3)o2)CC1 ZINC001595294233 950101769 /nfs/dbraw/zinc/10/17/69/950101769.db2.gz YFVAPXCIBBTRGL-INIZCTEOSA-N -1 1 377.441 1.901 20 0 GDADMM CC1(C(=O)NC[C@H]2CCCCN2c2cncc(-c3nnn[n-]3)n2)CC(F)(F)C1 ZINC001575582189 950103270 /nfs/dbraw/zinc/10/32/70/950103270.db2.gz AVFDSJNGHMGTID-LLVKDONJSA-N -1 1 392.414 1.567 20 0 GDADMM CC1(C(=O)NC[C@H]2CCCCN2c2cncc(-c3nn[n-]n3)n2)CC(F)(F)C1 ZINC001575582189 950103283 /nfs/dbraw/zinc/10/32/83/950103283.db2.gz AVFDSJNGHMGTID-LLVKDONJSA-N -1 1 392.414 1.567 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(F)CCCC2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576183956 950110158 /nfs/dbraw/zinc/11/01/58/950110158.db2.gz SJZZLRYTNNDDEF-OLZOCXBDSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(F)CCCC2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576183956 950110168 /nfs/dbraw/zinc/11/01/68/950110168.db2.gz SJZZLRYTNNDDEF-OLZOCXBDSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccoc2)[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001576184040 950112730 /nfs/dbraw/zinc/11/27/30/950112730.db2.gz VKLLHJYEJPYRDD-JSGCOSHPSA-N -1 1 382.428 1.993 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccoc2)[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001576184040 950112753 /nfs/dbraw/zinc/11/27/53/950112753.db2.gz VKLLHJYEJPYRDD-JSGCOSHPSA-N -1 1 382.428 1.993 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@]1(C)c1ccccc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574733947 950124513 /nfs/dbraw/zinc/12/45/13/950124513.db2.gz HSOUUFHTYUWCTP-IAMHBRQHSA-N -1 1 392.467 1.893 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@]1(C)c1ccccc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574733947 950124533 /nfs/dbraw/zinc/12/45/33/950124533.db2.gz HSOUUFHTYUWCTP-IAMHBRQHSA-N -1 1 392.467 1.893 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574734406 950133225 /nfs/dbraw/zinc/13/32/25/950133225.db2.gz LURFGTVOSKJAOU-RBXMUDONSA-N -1 1 383.865 1.128 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574734406 950133237 /nfs/dbraw/zinc/13/32/37/950133237.db2.gz LURFGTVOSKJAOU-RBXMUDONSA-N -1 1 383.865 1.128 20 0 GDADMM CC(C)(C)CC(C)(C)C(=O)NC[C@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001573839744 950135847 /nfs/dbraw/zinc/13/58/47/950135847.db2.gz WIVUEFZHMNAXSO-LLVKDONJSA-N -1 1 376.465 1.008 20 0 GDADMM CC(C)(C)CC(C)(C)C(=O)NC[C@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001573839744 950135860 /nfs/dbraw/zinc/13/58/60/950135860.db2.gz WIVUEFZHMNAXSO-LLVKDONJSA-N -1 1 376.465 1.008 20 0 GDADMM C[C@H](CC(=O)NC1(CCO)CN(Cc2ccc(-c3nn[n-]n3)s2)C1)C1CC1 ZINC001574494260 950154895 /nfs/dbraw/zinc/15/48/95/950154895.db2.gz YIBULCNNUKVHBC-GFCCVEGCSA-N -1 1 390.513 1.417 20 0 GDADMM C[C@H](CN(C)C(=O)[C@]12C[C@H]1COC2)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574734964 950156048 /nfs/dbraw/zinc/15/60/48/950156048.db2.gz VZCDKXHYRGBKOF-KXEKKFMESA-N -1 1 383.865 1.272 20 0 GDADMM C[C@H](CN(C)C(=O)[C@]12C[C@H]1COC2)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574734964 950156059 /nfs/dbraw/zinc/15/60/59/950156059.db2.gz VZCDKXHYRGBKOF-KXEKKFMESA-N -1 1 383.865 1.272 20 0 GDADMM C[C@H](CC(=O)NC1(CNc2cnc(-c3nnn[n-]3)cn2)CCOCC1)C1CC1 ZINC001574494248 950157224 /nfs/dbraw/zinc/15/72/24/950157224.db2.gz YFLGNFNKISUGAF-GFCCVEGCSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@H](CC(=O)NC1(CNc2cnc(-c3nn[n-]n3)cn2)CCOCC1)C1CC1 ZINC001574494248 950157236 /nfs/dbraw/zinc/15/72/36/950157236.db2.gz YFLGNFNKISUGAF-GFCCVEGCSA-N -1 1 386.460 1.170 20 0 GDADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001574155477 950191743 /nfs/dbraw/zinc/19/17/43/950191743.db2.gz LXAQDQXBAWBGRL-NYTXWWLZSA-N -1 1 384.488 1.458 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573844531 950199186 /nfs/dbraw/zinc/19/91/86/950199186.db2.gz BAAQBXJVTGAGCT-MELADBBJSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573844531 950199199 /nfs/dbraw/zinc/19/91/99/950199199.db2.gz BAAQBXJVTGAGCT-MELADBBJSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cccn2C)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576191502 950201501 /nfs/dbraw/zinc/20/15/01/950201501.db2.gz IFWCHFVGHPMOAD-OLZOCXBDSA-N -1 1 381.444 1.206 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cccn2C)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576191502 950201520 /nfs/dbraw/zinc/20/15/20/950201520.db2.gz IFWCHFVGHPMOAD-OLZOCXBDSA-N -1 1 381.444 1.206 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cccn2C)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576192020 950217790 /nfs/dbraw/zinc/21/77/90/950217790.db2.gz LBKRIBLAJDISLX-OLZOCXBDSA-N -1 1 381.444 1.206 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cccn2C)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576192020 950217804 /nfs/dbraw/zinc/21/78/04/950217804.db2.gz LBKRIBLAJDISLX-OLZOCXBDSA-N -1 1 381.444 1.206 20 0 GDADMM C[C@H](CN(C)C(=O)c1[nH]cnc1C(C)(C)C)Nc1nccnc1-c1nnn[n-]1 ZINC001574740750 950229756 /nfs/dbraw/zinc/22/97/56/950229756.db2.gz FWXKVPLUHNAIII-SNVBAGLBSA-N -1 1 384.448 1.250 20 0 GDADMM C[C@H](CN(C)C(=O)c1[nH]cnc1C(C)(C)C)Nc1nccnc1-c1nn[n-]n1 ZINC001574740750 950229773 /nfs/dbraw/zinc/22/97/73/950229773.db2.gz FWXKVPLUHNAIII-SNVBAGLBSA-N -1 1 384.448 1.250 20 0 GDADMM CC1(C(=O)NC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CC(F)(F)C1 ZINC001575587935 950240448 /nfs/dbraw/zinc/24/04/48/950240448.db2.gz OZXWBCLFZCPTAJ-JTQLQIEISA-N -1 1 378.387 1.035 20 0 GDADMM CC1(C(=O)NC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC(F)(F)C1 ZINC001575587935 950240464 /nfs/dbraw/zinc/24/04/64/950240464.db2.gz OZXWBCLFZCPTAJ-JTQLQIEISA-N -1 1 378.387 1.035 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2occc2Cl)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575902440 950260428 /nfs/dbraw/zinc/26/04/28/950260428.db2.gz UWLPFCUPNDHOIJ-ONGXEEELSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCC1)[C@H]1CCCO1 ZINC001574498183 950264324 /nfs/dbraw/zinc/26/43/24/950264324.db2.gz KWJHTDYXGLJYPG-QWHCGFSZSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCC1)[C@H]1CCCO1 ZINC001574498183 950264344 /nfs/dbraw/zinc/26/43/44/950264344.db2.gz KWJHTDYXGLJYPG-QWHCGFSZSA-N -1 1 386.460 1.313 20 0 GDADMM CC1(C(=O)NC[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CC(F)(F)C1 ZINC001575589675 950269593 /nfs/dbraw/zinc/26/95/93/950269593.db2.gz XHNBATFQUHABFN-JTQLQIEISA-N -1 1 378.387 1.035 20 0 GDADMM CC1(C(=O)NC[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CC(F)(F)C1 ZINC001575589675 950269612 /nfs/dbraw/zinc/26/96/12/950269612.db2.gz XHNBATFQUHABFN-JTQLQIEISA-N -1 1 378.387 1.035 20 0 GDADMM C[C@]1(C(=O)NCCC2(CNc3cncc(-c4nnn[n-]4)n3)CC2)CCCOC1 ZINC001575592434 950286158 /nfs/dbraw/zinc/28/61/58/950286158.db2.gz ARIGQNMBLMLZQS-KRWDZBQOSA-N -1 1 386.460 1.172 20 0 GDADMM C[C@]1(C(=O)NCCC2(CNc3cncc(-c4nn[n-]n4)n3)CC2)CCCOC1 ZINC001575592434 950286176 /nfs/dbraw/zinc/28/61/76/950286176.db2.gz ARIGQNMBLMLZQS-KRWDZBQOSA-N -1 1 386.460 1.172 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1C[C@@H]1c1ccccc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574742625 950298501 /nfs/dbraw/zinc/29/85/01/950298501.db2.gz QGQYJFOGVOCUAF-CFVMTHIKSA-N -1 1 378.440 1.719 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1C[C@@H]1c1ccccc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574742625 950298523 /nfs/dbraw/zinc/29/85/23/950298523.db2.gz QGQYJFOGVOCUAF-CFVMTHIKSA-N -1 1 378.440 1.719 20 0 GDADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccc(Cl)[nH]1 ZINC001574159315 950301095 /nfs/dbraw/zinc/30/10/95/950301095.db2.gz WGCLEDJZIZEDPG-JTQLQIEISA-N -1 1 389.851 1.317 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001574159675 950311212 /nfs/dbraw/zinc/31/12/12/950311212.db2.gz XUCWUGPENHWPII-JLNYLFASSA-N -1 1 386.460 1.167 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001574159675 950311235 /nfs/dbraw/zinc/31/12/35/950311235.db2.gz XUCWUGPENHWPII-JLNYLFASSA-N -1 1 386.460 1.167 20 0 GDADMM CC1(C(=O)NCC[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CCCCC1 ZINC001575593401 950313137 /nfs/dbraw/zinc/31/31/37/950313137.db2.gz NRVXLOYTAJRBOF-AWEZNQCLSA-N -1 1 384.488 1.960 20 0 GDADMM CC1(C(=O)NCC[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CCCCC1 ZINC001575593401 950313155 /nfs/dbraw/zinc/31/31/55/950313155.db2.gz NRVXLOYTAJRBOF-AWEZNQCLSA-N -1 1 384.488 1.960 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cc1cccnc1 ZINC001574159795 950322540 /nfs/dbraw/zinc/32/25/40/950322540.db2.gz JEHLFGQIEPEHKA-AWEZNQCLSA-N -1 1 381.444 1.237 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cc1cccnc1 ZINC001574159795 950322564 /nfs/dbraw/zinc/32/25/64/950322564.db2.gz JEHLFGQIEPEHKA-AWEZNQCLSA-N -1 1 381.444 1.237 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC001574501929 950345131 /nfs/dbraw/zinc/34/51/31/950345131.db2.gz HOCZNBYTNWXJDV-ZBFHGGJFSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC001574501929 950345147 /nfs/dbraw/zinc/34/51/47/950345147.db2.gz HOCZNBYTNWXJDV-ZBFHGGJFSA-N -1 1 392.467 1.936 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H](C)n1cccc1 ZINC001574162501 950386918 /nfs/dbraw/zinc/38/69/18/950386918.db2.gz BYBIPPIDMYFQDW-ZIAGYGMSSA-N -1 1 383.460 1.662 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H](C)n1cccc1 ZINC001574162501 950386940 /nfs/dbraw/zinc/38/69/40/950386940.db2.gz BYBIPPIDMYFQDW-ZIAGYGMSSA-N -1 1 383.460 1.662 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CCn1cccc1 ZINC001574163376 950421128 /nfs/dbraw/zinc/42/11/28/950421128.db2.gz STEXWEWXOMSQBV-CQSZACIVSA-N -1 1 383.460 1.491 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CCn1cccc1 ZINC001574163376 950421141 /nfs/dbraw/zinc/42/11/41/950421141.db2.gz STEXWEWXOMSQBV-CQSZACIVSA-N -1 1 383.460 1.491 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc(F)c(F)cc1F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574750423 950422421 /nfs/dbraw/zinc/42/24/21/950422421.db2.gz ADRVYCKBJCXECD-MRVPVSSYSA-N -1 1 392.345 1.647 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc(F)c(F)cc1F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574750423 950422431 /nfs/dbraw/zinc/42/24/31/950422431.db2.gz ADRVYCKBJCXECD-MRVPVSSYSA-N -1 1 392.345 1.647 20 0 GDADMM CCN(CC)C(=O)CN1CCC(NC(=O)C2(C(=O)[O-])CCCCCC2)CC1 ZINC001589721359 950426985 /nfs/dbraw/zinc/42/69/85/950426985.db2.gz KZENKUGZEBAJHP-UHFFFAOYSA-N -1 1 381.517 1.861 20 0 GDADMM CC1(C(=O)NCc2ccc(CCNc3cnc(-c4nnn[n-]4)cn3)cc2)CC1 ZINC001575599430 950427412 /nfs/dbraw/zinc/42/74/12/950427412.db2.gz JCZXCEXYHORSNH-UHFFFAOYSA-N -1 1 378.440 1.728 20 0 GDADMM CC1(C(=O)NCc2ccc(CCNc3cnc(-c4nn[n-]n4)cn3)cc2)CC1 ZINC001575599430 950427432 /nfs/dbraw/zinc/42/74/32/950427432.db2.gz JCZXCEXYHORSNH-UHFFFAOYSA-N -1 1 378.440 1.728 20 0 GDADMM CC(C)(C)OC(=O)NC1(C(=O)NCc2nc(-c3nnn[n-]3)cs2)CCC1 ZINC001573861048 950435885 /nfs/dbraw/zinc/43/58/85/950435885.db2.gz QKFORDIXECNZJJ-UHFFFAOYSA-N -1 1 379.446 1.387 20 0 GDADMM CC(C)(C)OC(=O)NC1(C(=O)NCc2nc(-c3nn[n-]n3)cs2)CCC1 ZINC001573861048 950435898 /nfs/dbraw/zinc/43/58/98/950435898.db2.gz QKFORDIXECNZJJ-UHFFFAOYSA-N -1 1 379.446 1.387 20 0 GDADMM CC(C)CC1(C(=O)NC[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CCC1 ZINC001574165346 950446859 /nfs/dbraw/zinc/44/68/59/950446859.db2.gz DJMSCPGOTUBEQH-CQSZACIVSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)CC1(C(=O)NC[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CCC1 ZINC001574165346 950446871 /nfs/dbraw/zinc/44/68/71/950446871.db2.gz DJMSCPGOTUBEQH-CQSZACIVSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](CC(=O)N[C@@H](C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C1CC1 ZINC001574507428 950455487 /nfs/dbraw/zinc/45/54/87/950455487.db2.gz IVXGJXXOQFFLCD-OLZOCXBDSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](CC(=O)N[C@@H](C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C1CC1 ZINC001574507428 950455507 /nfs/dbraw/zinc/45/55/07/950455507.db2.gz IVXGJXXOQFFLCD-OLZOCXBDSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001573862105 950457412 /nfs/dbraw/zinc/45/74/12/950457412.db2.gz NCHUWTZKHAOJQE-GXFFZTMASA-N -1 1 385.428 1.454 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001573862105 950457428 /nfs/dbraw/zinc/45/74/28/950457428.db2.gz NCHUWTZKHAOJQE-GXFFZTMASA-N -1 1 385.428 1.454 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc2c(o1)CCCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574751810 950465525 /nfs/dbraw/zinc/46/55/25/950465525.db2.gz RHGRXARKDMLNIG-LLVKDONJSA-N -1 1 382.428 1.701 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc2c(o1)CCCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574751810 950465531 /nfs/dbraw/zinc/46/55/31/950465531.db2.gz RHGRXARKDMLNIG-LLVKDONJSA-N -1 1 382.428 1.701 20 0 GDADMM CC(C)CC1(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CCCC1 ZINC001574166424 950466505 /nfs/dbraw/zinc/46/65/05/950466505.db2.gz ROMMSLLVTJYYHU-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CC1(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CCCC1 ZINC001574166424 950466516 /nfs/dbraw/zinc/46/65/16/950466516.db2.gz ROMMSLLVTJYYHU-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NCc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573862504 950466649 /nfs/dbraw/zinc/46/66/49/950466649.db2.gz UKYKFGJNFPRYOI-MGCOHNPYSA-N -1 1 378.458 1.848 20 0 GDADMM CC(C)(C)OCC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001573866517 950505356 /nfs/dbraw/zinc/50/53/56/950505356.db2.gz FUJUPRACMMZRDK-BETUJISGSA-N -1 1 386.460 1.042 20 0 GDADMM CC(C)(C)OCC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001573866517 950505367 /nfs/dbraw/zinc/50/53/67/950505367.db2.gz FUJUPRACMMZRDK-BETUJISGSA-N -1 1 386.460 1.042 20 0 GDADMM CC1(C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CCC(F)(F)CC1 ZINC001575608026 950507297 /nfs/dbraw/zinc/50/72/97/950507297.db2.gz LWVVZZFSAZNJOL-PHIMTYICSA-N -1 1 392.414 1.931 20 0 GDADMM CC1(C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CCC(F)(F)CC1 ZINC001575608026 950507314 /nfs/dbraw/zinc/50/73/14/950507314.db2.gz LWVVZZFSAZNJOL-PHIMTYICSA-N -1 1 392.414 1.931 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc2c(c1)CCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001574753031 950507491 /nfs/dbraw/zinc/50/74/91/950507491.db2.gz IMSANMMPWPRHBF-GFCCVEGCSA-N -1 1 378.440 1.718 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc2c(c1)CCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001574753031 950507511 /nfs/dbraw/zinc/50/75/11/950507511.db2.gz IMSANMMPWPRHBF-GFCCVEGCSA-N -1 1 378.440 1.718 20 0 GDADMM CC(C)(C)OCC(=O)N1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC001573866731 950510379 /nfs/dbraw/zinc/51/03/79/950510379.db2.gz KIZKAARDNATRHZ-UHFFFAOYSA-N -1 1 385.881 1.440 20 0 GDADMM CC(C)(C)OCC(=O)N1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC001573866731 950510395 /nfs/dbraw/zinc/51/03/95/950510395.db2.gz KIZKAARDNATRHZ-UHFFFAOYSA-N -1 1 385.881 1.440 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc2cccnc2n1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574753345 950520666 /nfs/dbraw/zinc/52/06/66/950520666.db2.gz KXMBTJGSVKJDCL-NSHDSACASA-N -1 1 390.411 1.173 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc2cccnc2n1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574753345 950520678 /nfs/dbraw/zinc/52/06/78/950520678.db2.gz KXMBTJGSVKJDCL-NSHDSACASA-N -1 1 390.411 1.173 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc(F)c(Cl)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574753508 950526221 /nfs/dbraw/zinc/52/62/21/950526221.db2.gz ODUPLRHNOHNBAT-VIFPVBQESA-N -1 1 390.810 1.444 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc(Cl)c(F)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574753587 950533341 /nfs/dbraw/zinc/53/33/41/950533341.db2.gz PYRNPLOVUYIJDY-SECBINFHSA-N -1 1 390.810 1.444 20 0 GDADMM CC(C)(C)OCC(=O)N1CCC(CCNc2nccnc2-c2nnn[n-]2)CC1 ZINC001573867408 950533709 /nfs/dbraw/zinc/53/37/09/950533709.db2.gz YUPWAMYMAVCUTA-UHFFFAOYSA-N -1 1 388.476 1.512 20 0 GDADMM CC(C)(C)OCC(=O)N1CCC(CCNc2nccnc2-c2nn[n-]n2)CC1 ZINC001573867408 950533726 /nfs/dbraw/zinc/53/37/26/950533726.db2.gz YUPWAMYMAVCUTA-UHFFFAOYSA-N -1 1 388.476 1.512 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@]12CCC[C@@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001573868269 950537267 /nfs/dbraw/zinc/53/72/67/950537267.db2.gz ASLMNFSQLBMJKJ-SCLBCKFNSA-N -1 1 386.460 1.089 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@]12CCC[C@@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001573868269 950537286 /nfs/dbraw/zinc/53/72/86/950537286.db2.gz ASLMNFSQLBMJKJ-SCLBCKFNSA-N -1 1 386.460 1.089 20 0 GDADMM CC(C)c1cccc(C(=O)N(C)C[C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)n1 ZINC001574753860 950544273 /nfs/dbraw/zinc/54/42/73/950544273.db2.gz ULBFDAJQDFNWQN-GFCCVEGCSA-N -1 1 381.444 1.170 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C)c1ccco1 ZINC001574511383 950561702 /nfs/dbraw/zinc/56/17/02/950561702.db2.gz JJOFXCWHXDARGV-OUCADQQQSA-N -1 1 382.428 1.384 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C)c1ccco1 ZINC001574511383 950561716 /nfs/dbraw/zinc/56/17/16/950561716.db2.gz JJOFXCWHXDARGV-OUCADQQQSA-N -1 1 382.428 1.384 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C)n1cccc1 ZINC001574511732 950570187 /nfs/dbraw/zinc/57/01/87/950570187.db2.gz SDKMZDSBTNHIAS-UMVBOHGHSA-N -1 1 381.444 1.050 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C)n1cccc1 ZINC001574511732 950570205 /nfs/dbraw/zinc/57/02/05/950570205.db2.gz SDKMZDSBTNHIAS-UMVBOHGHSA-N -1 1 381.444 1.050 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001574511954 950582245 /nfs/dbraw/zinc/58/22/45/950582245.db2.gz XQSJEVLNZMTDBX-NXEZZACHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001574511954 950582263 /nfs/dbraw/zinc/58/22/63/950582263.db2.gz XQSJEVLNZMTDBX-NXEZZACHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)c[nH]1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001575000108 950594926 /nfs/dbraw/zinc/59/49/26/950594926.db2.gz AILOBDGGBGVXGZ-ZCFIWIBFSA-N -1 1 384.828 1.699 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)c[nH]1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001575000108 950594937 /nfs/dbraw/zinc/59/49/37/950594937.db2.gz AILOBDGGBGVXGZ-ZCFIWIBFSA-N -1 1 384.828 1.699 20 0 GDADMM CC(C)CCC(=O)N1CCOC2(CN(Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001574173804 950602105 /nfs/dbraw/zinc/60/21/05/950602105.db2.gz MXIBUCIMUYLFSH-UHFFFAOYSA-N -1 1 390.513 1.778 20 0 GDADMM CC1(C)C(C(=O)NCC2(Nc3ccnc(-c4nn[n-]n4)n3)CCCC2)C1(C)C ZINC001575619866 950622143 /nfs/dbraw/zinc/62/21/43/950622143.db2.gz RLSYKSFZTKBPNH-UHFFFAOYSA-N -1 1 384.488 1.602 20 0 GDADMM CC1(C)C(C(=O)NC2(CNc3ccnc(-c4nn[n-]n4)n3)CCCC2)C1(C)C ZINC001575619865 950622643 /nfs/dbraw/zinc/62/26/43/950622643.db2.gz RJWWBFQHIPOROI-UHFFFAOYSA-N -1 1 384.488 1.602 20 0 GDADMM C[C@H](CN(C)C(=O)c1cccc2c1CCCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574758812 950623691 /nfs/dbraw/zinc/62/36/91/950623691.db2.gz IACXNOKSDLEHAW-CYBMUJFWSA-N -1 1 392.467 1.530 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)cn1C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575001183 950624452 /nfs/dbraw/zinc/62/44/52/950624452.db2.gz UZUSMEUIYMBJCL-SECBINFHSA-N -1 1 375.824 1.127 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)cn1C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575001183 950624465 /nfs/dbraw/zinc/62/44/65/950624465.db2.gz UZUSMEUIYMBJCL-SECBINFHSA-N -1 1 375.824 1.127 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574515688 950627702 /nfs/dbraw/zinc/62/77/02/950627702.db2.gz DSKZLWDWDOMLEO-IIAWOOMASA-N -1 1 392.467 1.579 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)cc(Cl)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001575001502 950630627 /nfs/dbraw/zinc/63/06/27/950630627.db2.gz LTHXDDWDRLJRJO-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)cc(Cl)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001575001502 950630646 /nfs/dbraw/zinc/63/06/46/950630646.db2.gz LTHXDDWDRLJRJO-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)CC(C)(C)C ZINC001574516419 950635499 /nfs/dbraw/zinc/63/54/99/950635499.db2.gz IFABSDWCCXJYDH-BCUIYNNISA-N -1 1 384.488 1.670 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001574517677 950646016 /nfs/dbraw/zinc/64/60/16/950646016.db2.gz LEOJFMGCYDPQME-MGPQQGTHSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001574517677 950646034 /nfs/dbraw/zinc/64/60/34/950646034.db2.gz LEOJFMGCYDPQME-MGPQQGTHSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccc(Cl)cn1 ZINC001575922457 950646299 /nfs/dbraw/zinc/64/62/99/950646299.db2.gz PPBFTIYYNMUCLV-ONGXEEELSA-N -1 1 385.819 1.420 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccc(Cl)cn1 ZINC001575922457 950646314 /nfs/dbraw/zinc/64/63/14/950646314.db2.gz PPBFTIYYNMUCLV-ONGXEEELSA-N -1 1 385.819 1.420 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)ccc1Cl)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575001908 950646419 /nfs/dbraw/zinc/64/64/19/950646419.db2.gz ORMQDNQITPQTFW-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)ccc1Cl)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575001908 950646431 /nfs/dbraw/zinc/64/64/31/950646431.db2.gz ORMQDNQITPQTFW-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1C[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573873577 950650784 /nfs/dbraw/zinc/65/07/84/950650784.db2.gz ROSUMEZJKQTPFA-ZKCHVHJHSA-N -1 1 385.881 1.851 20 0 GDADMM C[C@H](CN(C)C(=O)c1cccnc1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574759970 950651553 /nfs/dbraw/zinc/65/15/53/950651553.db2.gz QZBYQSFSRKTNRY-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C[C@@H]1O ZINC001576214079 950660508 /nfs/dbraw/zinc/66/05/08/950660508.db2.gz MNCDSGLRCBUEGF-KWQFWETISA-N -1 1 391.375 1.277 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cccc(N(C)C)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574760499 950663361 /nfs/dbraw/zinc/66/33/61/950663361.db2.gz VWIHULNJLWVCFT-LBPRGKRZSA-N -1 1 381.444 1.295 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cccc(N(C)C)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574760499 950663380 /nfs/dbraw/zinc/66/33/80/950663380.db2.gz VWIHULNJLWVCFT-LBPRGKRZSA-N -1 1 381.444 1.295 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)cs1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575002477 950663454 /nfs/dbraw/zinc/66/34/54/950663454.db2.gz UJJDKXLBVGGCDL-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)cs1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575002477 950663468 /nfs/dbraw/zinc/66/34/68/950663468.db2.gz UJJDKXLBVGGCDL-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccnc(C2CC2)n1 ZINC001575925174 950680543 /nfs/dbraw/zinc/68/05/43/950680543.db2.gz SXKQOIJMUOTZJL-PWSUYJOCSA-N -1 1 392.427 1.039 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccnc(C2CC2)n1 ZINC001575925174 950680563 /nfs/dbraw/zinc/68/05/63/950680563.db2.gz SXKQOIJMUOTZJL-PWSUYJOCSA-N -1 1 392.427 1.039 20 0 GDADMM CC1(C)CC(C(=O)N2CCCO[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001575625413 950688014 /nfs/dbraw/zinc/68/80/14/950688014.db2.gz SQTLZNIILQCNAH-ZDUSSCGKSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CC(C(=O)N2CCCO[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001575625413 950688028 /nfs/dbraw/zinc/68/80/28/950688028.db2.gz SQTLZNIILQCNAH-ZDUSSCGKSA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NCC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573878091 950700364 /nfs/dbraw/zinc/70/03/64/950700364.db2.gz KAMDDLPKUXXHPM-MGPQQGTHSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NCC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573878091 950700390 /nfs/dbraw/zinc/70/03/90/950700390.db2.gz KAMDDLPKUXXHPM-MGPQQGTHSA-N -1 1 384.488 1.672 20 0 GDADMM CC1(C)CC(C(=O)N[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C2CCCC2)C1 ZINC001575625867 950701570 /nfs/dbraw/zinc/70/15/70/950701570.db2.gz ZDCJDIBEKGISQJ-CQSZACIVSA-N -1 1 384.488 1.602 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001573878394 950707717 /nfs/dbraw/zinc/70/77/17/950707717.db2.gz OYDKDOSCRICMHE-XJFOESAGSA-N -1 1 382.472 1.234 20 0 GDADMM C[C@H]1CN(C(=O)C(C2CC2)C2CC2)CC[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576215858 950714776 /nfs/dbraw/zinc/71/47/76/950714776.db2.gz BXLZMMCPAYWVOU-FZMZJTMJSA-N -1 1 382.472 1.742 20 0 GDADMM C[C@H]1CN(C(=O)C(C2CC2)C2CC2)CC[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576215858 950714791 /nfs/dbraw/zinc/71/47/91/950714791.db2.gz BXLZMMCPAYWVOU-FZMZJTMJSA-N -1 1 382.472 1.742 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1 ZINC001573879916 950735534 /nfs/dbraw/zinc/73/55/34/950735534.db2.gz OPAGZMXBHIARIM-FPVZYODXSA-N -1 1 382.472 1.565 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1 ZINC001573879916 950735550 /nfs/dbraw/zinc/73/55/50/950735550.db2.gz OPAGZMXBHIARIM-FPVZYODXSA-N -1 1 382.472 1.565 20 0 GDADMM CC1(C)CC(C(=O)NC[C@@H](CO)Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001575629721 950743625 /nfs/dbraw/zinc/74/36/25/950743625.db2.gz RFZIKDFGSHLLNA-QMMMGPOBSA-N -1 1 385.881 1.302 20 0 GDADMM C[C@@H](CC(=O)c1ccccc1)NS(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001574520762 950749195 /nfs/dbraw/zinc/74/91/95/950749195.db2.gz YJBFVGVNXUNXLA-JTQLQIEISA-N -1 1 377.451 1.868 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cnn(C(C)(C)C)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574764751 950761166 /nfs/dbraw/zinc/76/11/66/950761166.db2.gz XSMJQVASBHHJQP-NSHDSACASA-N -1 1 384.448 1.181 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cnn(C(C)(C)C)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574764751 950761183 /nfs/dbraw/zinc/76/11/83/950761183.db2.gz XSMJQVASBHHJQP-NSHDSACASA-N -1 1 384.448 1.181 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cccc(F)c1F ZINC001575927959 950764135 /nfs/dbraw/zinc/76/41/35/950764135.db2.gz WRTPXGLTPJXNNF-JOYOIKCWSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cccc(F)c1F ZINC001575927959 950764146 /nfs/dbraw/zinc/76/41/46/950764146.db2.gz WRTPXGLTPJXNNF-JOYOIKCWSA-N -1 1 386.366 1.650 20 0 GDADMM CC1(C)CC(CC(=O)N2C[C@H]3CC[C@@H](C2)N3c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575630753 950765899 /nfs/dbraw/zinc/76/58/99/950765899.db2.gz GWLMZHFBNSDCRJ-OKILXGFUSA-N -1 1 382.472 1.663 20 0 GDADMM CC1(C)CC(CC(=O)N2C[C@H]3CC[C@@H](C2)N3c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575630753 950765915 /nfs/dbraw/zinc/76/59/15/950765915.db2.gz GWLMZHFBNSDCRJ-OKILXGFUSA-N -1 1 382.472 1.663 20 0 GDADMM CC1(C)CC(CC(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575630727 950767807 /nfs/dbraw/zinc/76/78/07/950767807.db2.gz FZCFLLCFWKNWNG-OKILXGFUSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C(F)F)CC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576217687 950769458 /nfs/dbraw/zinc/76/94/58/950769458.db2.gz IRXSAOOYQICBGX-NXEZZACHSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C(F)F)CC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576217687 950769476 /nfs/dbraw/zinc/76/94/76/950769476.db2.gz IRXSAOOYQICBGX-NXEZZACHSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@@H](CN(C)C(=O)c1n[nH]cc1F)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574765701 950795740 /nfs/dbraw/zinc/79/57/40/950795740.db2.gz JRECPXCJWXHNKV-YFKPBYRVSA-N -1 1 385.816 1.411 20 0 GDADMM C[C@@H](CN(C)C(=O)c1n[nH]cc1F)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574765701 950795755 /nfs/dbraw/zinc/79/57/55/950795755.db2.gz JRECPXCJWXHNKV-YFKPBYRVSA-N -1 1 385.816 1.411 20 0 GDADMM CC(C)(C)c1nc(C(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)co1 ZINC001573884442 950796747 /nfs/dbraw/zinc/79/67/47/950796747.db2.gz MUYKAQXZMKNTHD-SNVBAGLBSA-N -1 1 383.416 1.269 20 0 GDADMM CC(C)(C)c1nc(C(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)co1 ZINC001573884442 950796760 /nfs/dbraw/zinc/79/67/60/950796760.db2.gz MUYKAQXZMKNTHD-SNVBAGLBSA-N -1 1 383.416 1.269 20 0 GDADMM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001574185282 950797126 /nfs/dbraw/zinc/79/71/26/950797126.db2.gz XGWYFFIYGASNCZ-GXTWGEPZSA-N -1 1 389.460 1.240 20 0 GDADMM CC1(C)CC(CC(=O)N[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001575632502 950802940 /nfs/dbraw/zinc/80/29/40/950802940.db2.gz KBZQPOWREOFALO-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)CCN1C(=O)c1cnccn1 ZINC001575931885 950812562 /nfs/dbraw/zinc/81/25/62/950812562.db2.gz JIAAMAAYGQCWRG-JGVFFNPUSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCN1C(=O)c1cnccn1 ZINC001575931885 950812585 /nfs/dbraw/zinc/81/25/85/950812585.db2.gz JIAAMAAYGQCWRG-JGVFFNPUSA-N -1 1 391.848 1.482 20 0 GDADMM CC(C)(C)c1nc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)co1 ZINC001573885130 950819216 /nfs/dbraw/zinc/81/92/16/950819216.db2.gz SNQRVUIENREUAR-JTQLQIEISA-N -1 1 383.416 1.269 20 0 GDADMM CC(C)(C)c1nc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)co1 ZINC001573885130 950819238 /nfs/dbraw/zinc/81/92/38/950819238.db2.gz SNQRVUIENREUAR-JTQLQIEISA-N -1 1 383.416 1.269 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576220098 950819892 /nfs/dbraw/zinc/81/98/92/950819892.db2.gz QJJNOTXGBJLECC-MNOVXSKESA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576220098 950819918 /nfs/dbraw/zinc/81/99/18/950819918.db2.gz QJJNOTXGBJLECC-MNOVXSKESA-N -1 1 392.414 1.741 20 0 GDADMM C[C@H]1CN(C(=O)C(F)=C2CCCC2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576219974 950821470 /nfs/dbraw/zinc/82/14/70/950821470.db2.gz PMHBFTAFJAAJGA-AAEUAGOBSA-N -1 1 386.435 1.961 20 0 GDADMM C[C@H]1CN(C(=O)C(F)=C2CCCC2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576219974 950821493 /nfs/dbraw/zinc/82/14/93/950821493.db2.gz PMHBFTAFJAAJGA-AAEUAGOBSA-N -1 1 386.435 1.961 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cncc(Cl)c1 ZINC001575932289 950831235 /nfs/dbraw/zinc/83/12/35/950831235.db2.gz LOMQZEADJOVCKT-CABZTGNLSA-N -1 1 385.819 1.420 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cncc(Cl)c1 ZINC001575932289 950831265 /nfs/dbraw/zinc/83/12/65/950831265.db2.gz LOMQZEADJOVCKT-CABZTGNLSA-N -1 1 385.819 1.420 20 0 GDADMM CC(C)(C)c1nc(C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)co1 ZINC001573885533 950835271 /nfs/dbraw/zinc/83/52/71/950835271.db2.gz TVYKNYVWMWFWQO-AOOOYVTPSA-N -1 1 383.416 1.315 20 0 GDADMM CC(C)(C)c1nc(C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)co1 ZINC001573885533 950835292 /nfs/dbraw/zinc/83/52/92/950835292.db2.gz TVYKNYVWMWFWQO-AOOOYVTPSA-N -1 1 383.416 1.315 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576221213 950846753 /nfs/dbraw/zinc/84/67/53/950846753.db2.gz VBIUFGYNCQYNTC-NXEZZACHSA-N -1 1 378.387 1.208 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576221213 950846768 /nfs/dbraw/zinc/84/67/68/950846768.db2.gz VBIUFGYNCQYNTC-NXEZZACHSA-N -1 1 378.387 1.208 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1coc(C2CC2)n1 ZINC001575934122 950850734 /nfs/dbraw/zinc/85/07/34/950850734.db2.gz QIIBEOOZRSSAIU-MWLCHTKSSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1coc(C2CC2)n1 ZINC001575934122 950850756 /nfs/dbraw/zinc/85/07/56/950850756.db2.gz QIIBEOOZRSSAIU-MWLCHTKSSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cc2c([nH]1)CCC2 ZINC001575934430 950859530 /nfs/dbraw/zinc/85/95/30/950859530.db2.gz RGUNVWBNPZYOED-PWSUYJOCSA-N -1 1 379.428 1.189 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc2c([nH]1)CCC2 ZINC001575934430 950859552 /nfs/dbraw/zinc/85/95/52/950859552.db2.gz RGUNVWBNPZYOED-PWSUYJOCSA-N -1 1 379.428 1.189 20 0 GDADMM C[C@H](CN(C)C(=O)c1sccc1Cl)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574767861 950869516 /nfs/dbraw/zinc/86/95/16/950869516.db2.gz QUNTXFZXVAOLON-MRVPVSSYSA-N -1 1 378.849 1.366 20 0 GDADMM CC1(C)C[C@H](NC(=O)CC2CCC2)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575640820 950905594 /nfs/dbraw/zinc/90/55/94/950905594.db2.gz KUWSMURWLPSMLR-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)C[C@H](NC(=O)CC2CCC2)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575640820 950905617 /nfs/dbraw/zinc/90/56/17/950905617.db2.gz KUWSMURWLPSMLR-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CN(C(=O)C2CCC3(CC3)CC2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576228101 950929559 /nfs/dbraw/zinc/92/95/59/950929559.db2.gz IZEJDCFHLFHYFA-GXTWGEPZSA-N -1 1 382.472 1.308 20 0 GDADMM C[C@H]1CC(=O)CC[C@@H]1C(=O)Nc1c(-c2nn[n-]n2)nnn1Cc1ccccc1 ZINC001575936903 950930813 /nfs/dbraw/zinc/93/08/13/950930813.db2.gz AOOFAPKXFMQVSR-FZMZJTMJSA-N -1 1 380.412 1.450 20 0 GDADMM CC(C)(CC(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)c1ccccc1 ZINC001573895412 950936198 /nfs/dbraw/zinc/93/61/98/950936198.db2.gz AILHNNZGDBTIFX-UHFFFAOYSA-N -1 1 392.467 1.673 20 0 GDADMM CC(C)(CC(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)c1ccccc1 ZINC001573895412 950936217 /nfs/dbraw/zinc/93/62/17/950936217.db2.gz AILHNNZGDBTIFX-UHFFFAOYSA-N -1 1 392.467 1.673 20 0 GDADMM CC1(C)C[C@H]1C(=O)N1CC[C@@]2(C1)CCCN(c1nccnc1-c1nnn[n-]1)C2 ZINC001575642461 950944919 /nfs/dbraw/zinc/94/49/19/950944919.db2.gz HEUNOBJHSPFITL-DJJJIMSYSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)C[C@H]1C(=O)N1CC[C@@]2(C1)CCCN(c1nccnc1-c1nn[n-]n1)C2 ZINC001575642461 950944925 /nfs/dbraw/zinc/94/49/25/950944925.db2.gz HEUNOBJHSPFITL-DJJJIMSYSA-N -1 1 382.472 1.522 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C)C1CC1 ZINC001573896231 950946130 /nfs/dbraw/zinc/94/61/30/950946130.db2.gz GWLMOUIORGFHAW-CYBMUJFWSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573896113 950947126 /nfs/dbraw/zinc/94/71/26/950947126.db2.gz GDXJUWJDNUOIOF-GXTWGEPZSA-N -1 1 384.488 1.602 20 0 GDADMM CC(C)(CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1)CC(F)F ZINC001573897203 950954838 /nfs/dbraw/zinc/95/48/38/950954838.db2.gz MBLBKYGWJFBJGL-QWRGUYRKSA-N -1 1 392.414 1.518 20 0 GDADMM CC(C)(CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1)CC(F)F ZINC001573897203 950954850 /nfs/dbraw/zinc/95/48/50/950954850.db2.gz MBLBKYGWJFBJGL-QWRGUYRKSA-N -1 1 392.414 1.518 20 0 GDADMM CC1(C)C[C@H](NC(=O)c2cc[nH]c2)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575643116 950960422 /nfs/dbraw/zinc/96/04/22/950960422.db2.gz YCVYOMXIEJKUSC-CYBMUJFWSA-N -1 1 381.444 1.410 20 0 GDADMM CC1(C)C[C@H](NC(=O)c2cc[nH]c2)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575643116 950960434 /nfs/dbraw/zinc/96/04/34/950960434.db2.gz YCVYOMXIEJKUSC-CYBMUJFWSA-N -1 1 381.444 1.410 20 0 GDADMM C[C@@H]1[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCN1C(=O)c1cocn1 ZINC001575938219 950973181 /nfs/dbraw/zinc/97/31/81/950973181.db2.gz JMCLPOBFTDUWPH-RQJHMYQMSA-N -1 1 380.821 1.680 20 0 GDADMM C[C@@H]1[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCN1C(=O)c1cocn1 ZINC001575938219 950973197 /nfs/dbraw/zinc/97/31/97/950973197.db2.gz JMCLPOBFTDUWPH-RQJHMYQMSA-N -1 1 380.821 1.680 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)CC(F)(F)C2)CC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576229524 950974685 /nfs/dbraw/zinc/97/46/85/950974685.db2.gz KBYQRGDYVMPGKM-WDEREUQCSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)CC(F)(F)C2)CC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576229524 950974704 /nfs/dbraw/zinc/97/47/04/950974704.db2.gz KBYQRGDYVMPGKM-WDEREUQCSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc(Cl)cn1C ZINC001575938488 950982430 /nfs/dbraw/zinc/98/24/30/950982430.db2.gz OEGIGSZFKQVLJG-ONGXEEELSA-N -1 1 387.835 1.364 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc(Cl)cn1C ZINC001575938488 950982445 /nfs/dbraw/zinc/98/24/45/950982445.db2.gz OEGIGSZFKQVLJG-ONGXEEELSA-N -1 1 387.835 1.364 20 0 GDADMM CC(C)c1ccc(C(=O)NC[C@@H](C)CNc2cncc(-c3nnn[n-]3)n2)nc1 ZINC001575019236 951033830 /nfs/dbraw/zinc/03/38/30/951033830.db2.gz SBNDWYXKHDXXPB-LBPRGKRZSA-N -1 1 381.444 1.653 20 0 GDADMM CC(C)c1ccc(C(=O)NC[C@@H](C)CNc2cncc(-c3nn[n-]n3)n2)nc1 ZINC001575019236 951033844 /nfs/dbraw/zinc/03/38/44/951033844.db2.gz SBNDWYXKHDXXPB-LBPRGKRZSA-N -1 1 381.444 1.653 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)c(F)c1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575023221 951073028 /nfs/dbraw/zinc/07/30/28/951073028.db2.gz KIJLPFIERUTKPH-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)c(F)c1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575023221 951073038 /nfs/dbraw/zinc/07/30/38/951073038.db2.gz KIJLPFIERUTKPH-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575024337 951100131 /nfs/dbraw/zinc/10/01/31/951100131.db2.gz BEIOAEHSEGTXIW-GFCCVEGCSA-N -1 1 378.440 1.188 20 0 GDADMM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3cc[nH+]c(C(=O)[O-])c3)CC2)[n-]1 ZINC001591279044 951111100 /nfs/dbraw/zinc/11/11/00/951111100.db2.gz FUFJIXPLYWTWLC-UHFFFAOYSA-N -1 1 388.384 1.486 20 0 GDADMM C[C@H](CNC(=O)c1ccc2[nH]ccc2c1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575024807 951115611 /nfs/dbraw/zinc/11/56/11/951115611.db2.gz NAMCMYQQIOEBLD-LLVKDONJSA-N -1 1 377.412 1.393 20 0 GDADMM C[C@H](CNC(=O)c1ccc2[nH]ccc2c1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575024807 951115616 /nfs/dbraw/zinc/11/56/16/951115616.db2.gz NAMCMYQQIOEBLD-LLVKDONJSA-N -1 1 377.412 1.393 20 0 GDADMM O=C([O-])CC[C@@H]1C[C@H](C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)CO1 ZINC001595000499 951115649 /nfs/dbraw/zinc/11/56/49/951115649.db2.gz CHSACXWKIIHUPT-INDMIFKZSA-N -1 1 390.480 1.256 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(C2CCC2)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575027531 951157203 /nfs/dbraw/zinc/15/72/03/951157203.db2.gz RPMIUSMWLFMGNU-LBPRGKRZSA-N -1 1 378.440 1.577 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2cnccc2c1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575027529 951157866 /nfs/dbraw/zinc/15/78/66/951157866.db2.gz RPBSQGMCZNDEFW-LBPRGKRZSA-N -1 1 389.423 1.460 20 0 GDADMM C[C@H](CNC(=O)c1cccc2ncccc21)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575027934 951162839 /nfs/dbraw/zinc/16/28/39/951162839.db2.gz JFJIKXKAVCEGSL-GFCCVEGCSA-N -1 1 389.423 1.460 20 0 GDADMM C[C@H](CNC(=O)c1cccc2ncccc21)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575027934 951162848 /nfs/dbraw/zinc/16/28/48/951162848.db2.gz JFJIKXKAVCEGSL-GFCCVEGCSA-N -1 1 389.423 1.460 20 0 GDADMM C[C@H](CNC(=O)c1ccccc1C1(C)CC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575028621 951178186 /nfs/dbraw/zinc/17/81/86/951178186.db2.gz OWPZQRNFOWZIBZ-GFCCVEGCSA-N -1 1 378.440 1.939 20 0 GDADMM C[C@H](CNC(=O)c1ccccc1C1(C)CC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575028621 951178192 /nfs/dbraw/zinc/17/81/92/951178192.db2.gz OWPZQRNFOWZIBZ-GFCCVEGCSA-N -1 1 378.440 1.939 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(C(F)F)c1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575028984 951178810 /nfs/dbraw/zinc/17/88/10/951178810.db2.gz YBFFJIITRJONOX-JTQLQIEISA-N -1 1 388.382 1.849 20 0 GDADMM C[C@@H](CNC(=O)c1cccnn1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575031938 951210574 /nfs/dbraw/zinc/21/05/74/951210574.db2.gz MKXYNHMPPABSAM-ZETCQYMHSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@@H](CNC(=O)c1cccnn1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575031938 951210580 /nfs/dbraw/zinc/21/05/80/951210580.db2.gz MKXYNHMPPABSAM-ZETCQYMHSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@H](CNC(=O)c1ccnc(C2CC2)c1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575035540 951275647 /nfs/dbraw/zinc/27/56/47/951275647.db2.gz KFMZMERJXJIFIX-LLVKDONJSA-N -1 1 379.428 1.184 20 0 GDADMM C[C@@H](CNC(=O)c1cnn(C2CCC2)c1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575052443 951464015 /nfs/dbraw/zinc/46/40/15/951464015.db2.gz JNEWQQYTGNPUHK-LLVKDONJSA-N -1 1 382.432 1.056 20 0 GDADMM C[C@@H](CNC(=O)c1cnn(C2CCC2)c1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575052443 951464019 /nfs/dbraw/zinc/46/40/19/951464019.db2.gz JNEWQQYTGNPUHK-LLVKDONJSA-N -1 1 382.432 1.056 20 0 GDADMM C[C@H](CNC(=O)c1cncs1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575052516 951467458 /nfs/dbraw/zinc/46/74/58/951467458.db2.gz KSNVKFOQCFYQRY-ZCFIWIBFSA-N -1 1 384.878 1.911 20 0 GDADMM O=C([O-])CCN(C(=O)c1ccc(CNC(=O)C(F)(F)F)o1)C1CCOCC1 ZINC001595055217 951486317 /nfs/dbraw/zinc/48/63/17/951486317.db2.gz OMMDRUUYPDPBJE-UHFFFAOYSA-N -1 1 392.330 1.554 20 0 GDADMM C[C@@H](CNC(=O)c1csc(Cl)c1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575056929 951524671 /nfs/dbraw/zinc/52/46/71/951524671.db2.gz MVZXEFQCNCHVJC-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@@H](CNC(=O)c1csc(Cl)c1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575056929 951524675 /nfs/dbraw/zinc/52/46/75/951524675.db2.gz MVZXEFQCNCHVJC-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@@H](CNC(=O)c1conc1C1CCCC1)Nc1nccnc1-c1nnn[n-]1 ZINC001575057024 951525593 /nfs/dbraw/zinc/52/55/93/951525593.db2.gz NWXDFEZWSWSWCY-JTQLQIEISA-N -1 1 383.416 1.533 20 0 GDADMM C[C@@H](CNC(=O)c1conc1C1CCCC1)Nc1nccnc1-c1nn[n-]n1 ZINC001575057024 951525604 /nfs/dbraw/zinc/52/56/04/951525604.db2.gz NWXDFEZWSWSWCY-JTQLQIEISA-N -1 1 383.416 1.533 20 0 GDADMM C[C@H](CNC(=O)c1cscn1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001575060859 951550508 /nfs/dbraw/zinc/55/05/08/951550508.db2.gz IHKBBURAWWHKIZ-ZCFIWIBFSA-N -1 1 384.878 1.688 20 0 GDADMM C[C@H](CNC(=O)c1cscn1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001575060859 951550513 /nfs/dbraw/zinc/55/05/13/951550513.db2.gz IHKBBURAWWHKIZ-ZCFIWIBFSA-N -1 1 384.878 1.688 20 0 GDADMM CC(C)c1scnc1C(=O)NC[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575066414 951594048 /nfs/dbraw/zinc/59/40/48/951594048.db2.gz LGHAPXUGSAZWLL-SNVBAGLBSA-N -1 1 387.473 1.715 20 0 GDADMM CC(C)c1scnc1C(=O)NC[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575066414 951594053 /nfs/dbraw/zinc/59/40/53/951594053.db2.gz LGHAPXUGSAZWLL-SNVBAGLBSA-N -1 1 387.473 1.715 20 0 GDADMM O=C([O-])CN1CCC(NC(=O)CCS(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC001595075345 951643221 /nfs/dbraw/zinc/64/32/21/951643221.db2.gz NSODRVKRKJDMFK-UHFFFAOYSA-N -1 1 394.493 1.004 20 0 GDADMM C[C@H](CNC(=O)c1scnc1Cl)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575069592 951644906 /nfs/dbraw/zinc/64/49/06/951644906.db2.gz KYJZTDLEWVKDQT-SSDOTTSWSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@H](CNC(=O)c1scnc1Cl)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575069592 951644912 /nfs/dbraw/zinc/64/49/12/951644912.db2.gz KYJZTDLEWVKDQT-SSDOTTSWSA-N -1 1 379.837 1.021 20 0 GDADMM CC(C)c1ncsc1C(=O)NC[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575070164 951648935 /nfs/dbraw/zinc/64/89/35/951648935.db2.gz ONWUPWXQKVRUOO-SNVBAGLBSA-N -1 1 387.473 1.715 20 0 GDADMM CC(C)c1ncsc1C(=O)NC[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575070164 951648941 /nfs/dbraw/zinc/64/89/41/951648941.db2.gz ONWUPWXQKVRUOO-SNVBAGLBSA-N -1 1 387.473 1.715 20 0 GDADMM O=C([O-])Cn1cc(C(=O)N2CCC[C@H](c3nnc(-c4ccccc4)[nH]3)C2)nn1 ZINC001595141710 952084909 /nfs/dbraw/zinc/08/49/09/952084909.db2.gz DJFFZIYNALFLKK-ZDUSSCGKSA-N -1 1 381.396 1.168 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)CCCc1cccs1 ZINC001575132624 952095155 /nfs/dbraw/zinc/09/51/55/952095155.db2.gz HMZDJYVFSAJMER-LBPRGKRZSA-N -1 1 386.485 2.000 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)CCCc1cccs1 ZINC001575132624 952095164 /nfs/dbraw/zinc/09/51/64/952095164.db2.gz HMZDJYVFSAJMER-LBPRGKRZSA-N -1 1 386.485 2.000 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cnn(C(C)(C)C)c1 ZINC001575135034 952114651 /nfs/dbraw/zinc/11/46/51/952114651.db2.gz JSMHVNIEHPRKBN-LLVKDONJSA-N -1 1 384.448 1.181 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cnn(C(C)(C)C)c1 ZINC001575135034 952114653 /nfs/dbraw/zinc/11/46/53/952114653.db2.gz JSMHVNIEHPRKBN-LLVKDONJSA-N -1 1 384.448 1.181 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)C[C@H]1CCC(C)(C)CO1 ZINC001575136514 952125811 /nfs/dbraw/zinc/12/58/11/952125811.db2.gz VZBYVQZPZNEYHM-QWHCGFSZSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)C[C@H]1CCC(C)(C)CO1 ZINC001575136514 952125816 /nfs/dbraw/zinc/12/58/16/952125816.db2.gz VZBYVQZPZNEYHM-QWHCGFSZSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)C1C(C)(C)C1(C)C)C1CC1 ZINC001575137036 952132395 /nfs/dbraw/zinc/13/23/95/952132395.db2.gz SGYBDACWUMMOFM-LJQANCHMSA-N -1 1 384.488 1.458 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)Oc1cccc(Br)c1 ZINC001575143998 952160908 /nfs/dbraw/zinc/16/09/08/952160908.db2.gz FFEGMNQTDXNWCE-SECBINFHSA-N -1 1 376.218 1.721 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C1(c2ccccc2)CC1 ZINC001575144481 952168340 /nfs/dbraw/zinc/16/83/40/952168340.db2.gz VWZZQZMFXSARJI-ZDUSSCGKSA-N -1 1 378.440 1.069 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCCc2ccccc21 ZINC001575144664 952169619 /nfs/dbraw/zinc/16/96/19/952169619.db2.gz XDGAQRMDKNOOPV-CZUORRHYSA-N -1 1 392.467 1.458 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCCC(F)(F)C1 ZINC001575144719 952170272 /nfs/dbraw/zinc/17/02/72/952170272.db2.gz XPCSYRLHHYEBPW-GHMZBOCLSA-N -1 1 380.403 1.163 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cccc2c1CCC2 ZINC001575144921 952174343 /nfs/dbraw/zinc/17/43/43/952174343.db2.gz NPYKONVOTBOYLN-LBPRGKRZSA-N -1 1 378.440 1.140 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc2ccncc2c1 ZINC001575145519 952186125 /nfs/dbraw/zinc/18/61/25/952186125.db2.gz ZCSPMYIPSWZXFN-GFCCVEGCSA-N -1 1 389.423 1.199 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1noc2c1CCCC2 ZINC001575154331 952219123 /nfs/dbraw/zinc/21/91/23/952219123.db2.gz BHSMHSLCCSISCB-SNVBAGLBSA-N -1 1 383.416 1.096 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1noc2c1CCCC2 ZINC001575154331 952219125 /nfs/dbraw/zinc/21/91/25/952219125.db2.gz BHSMHSLCCSISCB-SNVBAGLBSA-N -1 1 383.416 1.096 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ccc(C(F)F)o1 ZINC001575154271 952219518 /nfs/dbraw/zinc/21/95/18/952219518.db2.gz AGRZPISIFVATQP-QMMMGPOBSA-N -1 1 378.343 1.760 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ccc(C(F)F)o1 ZINC001575154271 952219525 /nfs/dbraw/zinc/21/95/25/952219525.db2.gz AGRZPISIFVATQP-QMMMGPOBSA-N -1 1 378.343 1.760 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)C(C)(C)CC(F)(F)F ZINC001575156002 952247774 /nfs/dbraw/zinc/24/77/74/952247774.db2.gz QPQLOUGOAPCIPC-VIFPVBQESA-N -1 1 386.382 1.894 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)C(C)(C)CC(F)(F)F ZINC001575156002 952247777 /nfs/dbraw/zinc/24/77/77/952247777.db2.gz QPQLOUGOAPCIPC-VIFPVBQESA-N -1 1 386.382 1.894 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1ccc2cnccc2n1 ZINC001575157381 952264015 /nfs/dbraw/zinc/26/40/15/952264015.db2.gz MCFNFEZKOGBJLG-NSHDSACASA-N -1 1 390.411 1.173 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc2cnccc2n1 ZINC001575157381 952264020 /nfs/dbraw/zinc/26/40/20/952264020.db2.gz MCFNFEZKOGBJLG-NSHDSACASA-N -1 1 390.411 1.173 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)C[C@@H]1CCC(C)(C)CO1 ZINC001575157879 952267961 /nfs/dbraw/zinc/26/79/61/952267961.db2.gz QBZHJXBYRCMWGW-OLZOCXBDSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)C[C@@H]1CCC(C)(C)CO1 ZINC001575157879 952267966 /nfs/dbraw/zinc/26/79/66/952267966.db2.gz QBZHJXBYRCMWGW-OLZOCXBDSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)c1cccnn1 ZINC001575164305 952289919 /nfs/dbraw/zinc/28/99/19/952289919.db2.gz CUTCWAFDBGIPFU-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)c1cccnn1 ZINC001575164305 952289924 /nfs/dbraw/zinc/28/99/24/952289924.db2.gz CUTCWAFDBGIPFU-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)[C@H]1CC1(F)F ZINC001575164519 952295415 /nfs/dbraw/zinc/29/54/15/952295415.db2.gz FBYWLMXKBARMFV-NTSWFWBYSA-N -1 1 377.808 1.891 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)[C@H]1CC1(F)F ZINC001575164519 952295424 /nfs/dbraw/zinc/29/54/24/952295424.db2.gz FBYWLMXKBARMFV-NTSWFWBYSA-N -1 1 377.808 1.891 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)[C@H]1CCCOC1 ZINC001575166367 952324290 /nfs/dbraw/zinc/32/42/90/952324290.db2.gz VMZYOOFRTNOESI-BDAKNGLRSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)[C@H]1CCCOC1 ZINC001575166367 952324299 /nfs/dbraw/zinc/32/42/99/952324299.db2.gz VMZYOOFRTNOESI-BDAKNGLRSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)CC[C@H]1CCOC1)C1CC1 ZINC001575173952 952359435 /nfs/dbraw/zinc/35/94/35/952359435.db2.gz DFHYLPQAXTXWDE-SGTLLEGYSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)CC[C@H]1CCOC1)C1CC1 ZINC001575173952 952359442 /nfs/dbraw/zinc/35/94/42/952359442.db2.gz DFHYLPQAXTXWDE-SGTLLEGYSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)[C@@H]1CCC(F)(F)C1)C1CC1 ZINC001575174080 952364435 /nfs/dbraw/zinc/36/44/35/952364435.db2.gz GRYSVRZXTPAUHV-HWPZZCPQSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)[C@@H]1CCC(F)(F)C1)C1CC1 ZINC001575174080 952364443 /nfs/dbraw/zinc/36/44/43/952364443.db2.gz GRYSVRZXTPAUHV-HWPZZCPQSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)c1ccncc1F)C1CC1 ZINC001575176189 952390330 /nfs/dbraw/zinc/39/03/30/952390330.db2.gz ZBWIJYALMHAVHZ-KRWDZBQOSA-N -1 1 383.391 1.201 20 0 GDADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)c1ccncc1F)C1CC1 ZINC001575176189 952390338 /nfs/dbraw/zinc/39/03/38/952390338.db2.gz ZBWIJYALMHAVHZ-KRWDZBQOSA-N -1 1 383.391 1.201 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)c1cnccn1 ZINC001575177033 952397504 /nfs/dbraw/zinc/39/75/04/952397504.db2.gz GEUUJHJRSONROV-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)c1cnccn1 ZINC001575177033 952397510 /nfs/dbraw/zinc/39/75/10/952397510.db2.gz GEUUJHJRSONROV-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)[C@]1(F)CCOC1 ZINC001575178741 952407428 /nfs/dbraw/zinc/40/74/28/952407428.db2.gz MDZRZUSQOLTAGY-CPFSXVBKSA-N -1 1 389.844 1.364 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)[C@]1(F)CCOC1 ZINC001575178741 952407431 /nfs/dbraw/zinc/40/74/31/952407431.db2.gz MDZRZUSQOLTAGY-CPFSXVBKSA-N -1 1 389.844 1.364 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)c1ccncc1 ZINC001575179694 952414158 /nfs/dbraw/zinc/41/41/58/952414158.db2.gz QUDWJJJEDMBOEP-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)c1ccncc1 ZINC001575179694 952414161 /nfs/dbraw/zinc/41/41/61/952414161.db2.gz QUDWJJJEDMBOEP-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)COc1ccccc1F ZINC001575180944 952419568 /nfs/dbraw/zinc/41/95/68/952419568.db2.gz YHXMJDMHSDNLPT-NSHDSACASA-N -1 1 386.391 1.134 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)COc1ccccc1F ZINC001575180944 952419572 /nfs/dbraw/zinc/41/95/72/952419572.db2.gz YHXMJDMHSDNLPT-NSHDSACASA-N -1 1 386.391 1.134 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CC[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575187661 952443273 /nfs/dbraw/zinc/44/32/73/952443273.db2.gz DOACLGMBZHLTFF-CHWSQXEVSA-N -1 1 382.428 1.166 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CC[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575187661 952443278 /nfs/dbraw/zinc/44/32/78/952443278.db2.gz DOACLGMBZHLTFF-CHWSQXEVSA-N -1 1 382.428 1.166 20 0 GDADMM C[C@@H](Cc1ccccc1F)C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575189878 952460626 /nfs/dbraw/zinc/46/06/26/952460626.db2.gz RFMKJRIXHPWDFW-LBPRGKRZSA-N -1 1 384.419 1.227 20 0 GDADMM C[C@@H](Cc1ccccc1F)C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575189878 952460629 /nfs/dbraw/zinc/46/06/29/952460629.db2.gz RFMKJRIXHPWDFW-LBPRGKRZSA-N -1 1 384.419 1.227 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H](C)Cc1cccc(F)c1 ZINC001575191992 952470516 /nfs/dbraw/zinc/47/05/16/952470516.db2.gz ZZJXHPRQBCYGPK-RYUDHWBXSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H](C)Cc1cccc(F)c1 ZINC001575191992 952470521 /nfs/dbraw/zinc/47/05/21/952470521.db2.gz ZZJXHPRQBCYGPK-RYUDHWBXSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575195837 952471934 /nfs/dbraw/zinc/47/19/34/952471934.db2.gz BXKJHKFELUZTBR-QWHCGFSZSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575195837 952471938 /nfs/dbraw/zinc/47/19/38/952471938.db2.gz BXKJHKFELUZTBR-QWHCGFSZSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575195838 952472291 /nfs/dbraw/zinc/47/22/91/952472291.db2.gz BXKJHKFELUZTBR-STQMWFEESA-N -1 1 382.428 1.531 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575195838 952472292 /nfs/dbraw/zinc/47/22/92/952472292.db2.gz BXKJHKFELUZTBR-STQMWFEESA-N -1 1 382.428 1.531 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCC1 ZINC001575195908 952472939 /nfs/dbraw/zinc/47/29/39/952472939.db2.gz DEGAYVGGPZYYHG-LBPRGKRZSA-N -1 1 382.428 1.579 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCC1 ZINC001575195908 952472942 /nfs/dbraw/zinc/47/29/42/952472942.db2.gz DEGAYVGGPZYYHG-LBPRGKRZSA-N -1 1 382.428 1.579 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NCC1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575196158 952474682 /nfs/dbraw/zinc/47/46/82/952474682.db2.gz DWAOIUAHPFQIKV-PNESKVBLSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NCC1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575196158 952474684 /nfs/dbraw/zinc/47/46/84/952474684.db2.gz DWAOIUAHPFQIKV-PNESKVBLSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575197021 952478699 /nfs/dbraw/zinc/47/86/99/952478699.db2.gz LYZLRSPQTQJTFP-SGTLLEGYSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575197021 952478702 /nfs/dbraw/zinc/47/87/02/952478702.db2.gz LYZLRSPQTQJTFP-SGTLLEGYSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575197374 952482643 /nfs/dbraw/zinc/48/26/43/952482643.db2.gz VBCVCNGXMAFTSL-PNESKVBLSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NCC1CC(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575197374 952482649 /nfs/dbraw/zinc/48/26/49/952482649.db2.gz VBCVCNGXMAFTSL-PNESKVBLSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575197406 952485105 /nfs/dbraw/zinc/48/51/05/952485105.db2.gz VMRANBWIVIEDSH-OLZOCXBDSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575197406 952485110 /nfs/dbraw/zinc/48/51/10/952485110.db2.gz VMRANBWIVIEDSH-OLZOCXBDSA-N -1 1 382.428 1.214 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)[C@H]1Cc2ccccc21 ZINC001571119360 952489529 /nfs/dbraw/zinc/48/95/29/952489529.db2.gz ACVVVCRDCXMHSM-LNSITVRQSA-N -1 1 376.424 1.303 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)[C@H]1Cc2ccccc21 ZINC001571119360 952489533 /nfs/dbraw/zinc/48/95/33/952489533.db2.gz ACVVVCRDCXMHSM-LNSITVRQSA-N -1 1 376.424 1.303 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)CCc2cccc(Br)c2)n1 ZINC001571119375 952491239 /nfs/dbraw/zinc/49/12/39/952491239.db2.gz AFDCVAWPQIYPNG-UHFFFAOYSA-N -1 1 376.218 1.934 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)CCc2cccc(Br)c2)n1 ZINC001571119375 952491243 /nfs/dbraw/zinc/49/12/43/952491243.db2.gz AFDCVAWPQIYPNG-UHFFFAOYSA-N -1 1 376.218 1.934 20 0 GDADMM C=Cc1ccc(C(=O)N[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001571120027 952498242 /nfs/dbraw/zinc/49/82/42/952498242.db2.gz ILIXGGNAQKECJB-HNNXBMFYSA-N -1 1 376.424 1.699 20 0 GDADMM C=Cc1ccc(C(=O)N[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001571120027 952498245 /nfs/dbraw/zinc/49/82/45/952498245.db2.gz ILIXGGNAQKECJB-HNNXBMFYSA-N -1 1 376.424 1.699 20 0 GDADMM COc1c(F)cc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)c(OC)c1F ZINC001571121234 952517748 /nfs/dbraw/zinc/51/77/48/952517748.db2.gz YTBIBDTUAOOYCO-UHFFFAOYSA-N -1 1 376.323 1.738 20 0 GDADMM COc1c(F)cc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)c(OC)c1F ZINC001571121234 952517757 /nfs/dbraw/zinc/51/77/57/952517757.db2.gz YTBIBDTUAOOYCO-UHFFFAOYSA-N -1 1 376.323 1.738 20 0 GDADMM O=C(c1ccccc1)N1CCC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001571121682 952521020 /nfs/dbraw/zinc/52/10/20/952521020.db2.gz BMHCSJNQWCHXSU-GOEBONIOSA-N -1 1 376.424 1.398 20 0 GDADMM O=C(c1ccccc1)N1CCC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571121682 952521024 /nfs/dbraw/zinc/52/10/24/952521024.db2.gz BMHCSJNQWCHXSU-GOEBONIOSA-N -1 1 376.424 1.398 20 0 GDADMM CC[C@H](SC)C(=O)N1CCCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571121894 952521873 /nfs/dbraw/zinc/52/18/73/952521873.db2.gz DKRQZMOODNNXTL-YPMHNXCESA-N -1 1 376.490 1.591 20 0 GDADMM CC[C@H](SC)C(=O)N1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571121894 952521878 /nfs/dbraw/zinc/52/18/78/952521878.db2.gz DKRQZMOODNNXTL-YPMHNXCESA-N -1 1 376.490 1.591 20 0 GDADMM CC[C@H](SC)C(=O)N1CCC[C@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001571122818 952526027 /nfs/dbraw/zinc/52/60/27/952526027.db2.gz LZQFJYAAVRNMEF-RYUDHWBXSA-N -1 1 376.490 1.226 20 0 GDADMM O=C(c1ccc(C2CC2)cc1)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571123789 952532786 /nfs/dbraw/zinc/53/27/86/952532786.db2.gz VYKRFGAPZAXUIC-UHFFFAOYSA-N -1 1 376.424 1.497 20 0 GDADMM O=C(c1ccc(C2CC2)cc1)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571123789 952532790 /nfs/dbraw/zinc/53/27/90/952532790.db2.gz VYKRFGAPZAXUIC-UHFFFAOYSA-N -1 1 376.424 1.497 20 0 GDADMM COc1ncc(NC(=O)[C@@H](C)CNC(=O)OC(C)(C)C)cc1-c1nn[n-]n1 ZINC001571124546 952540052 /nfs/dbraw/zinc/54/00/52/952540052.db2.gz MIFUTKKYFDSYDB-VIFPVBQESA-N -1 1 377.405 1.370 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575213677 952560497 /nfs/dbraw/zinc/56/04/97/952560497.db2.gz FHDZIHXKDCSKSH-UHFFFAOYSA-N -1 1 380.403 1.741 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575213677 952560501 /nfs/dbraw/zinc/56/05/01/952560501.db2.gz FHDZIHXKDCSKSH-UHFFFAOYSA-N -1 1 380.403 1.741 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575215016 952568354 /nfs/dbraw/zinc/56/83/54/952568354.db2.gz RVJKHJZFVSEUPS-MGCOHNPYSA-N -1 1 380.403 1.645 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575215016 952568357 /nfs/dbraw/zinc/56/83/57/952568357.db2.gz RVJKHJZFVSEUPS-MGCOHNPYSA-N -1 1 380.403 1.645 20 0 GDADMM Cc1nsc(NC[C@@H]2CN(C(=O)[C@@H]3CCOC3)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571128786 952570877 /nfs/dbraw/zinc/57/08/77/952570877.db2.gz XMAXHYZGDQPDIZ-YUSALJHKSA-N -1 1 377.474 1.175 20 0 GDADMM O=C([C@@H]1CCCCC1(F)F)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571129342 952574322 /nfs/dbraw/zinc/57/43/22/952574322.db2.gz CQDIVUVDRMCTDU-MNOVXSKESA-N -1 1 378.387 1.495 20 0 GDADMM O=C([C@@H]1CCCCC1(F)F)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571129342 952574328 /nfs/dbraw/zinc/57/43/28/952574328.db2.gz CQDIVUVDRMCTDU-MNOVXSKESA-N -1 1 378.387 1.495 20 0 GDADMM CCC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)[C@H]2CC2(F)F)CC1 ZINC001571130133 952578876 /nfs/dbraw/zinc/57/88/76/952578876.db2.gz OQNHPKXVRKQPFV-SNVBAGLBSA-N -1 1 378.387 1.495 20 0 GDADMM CCC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)[C@H]2CC2(F)F)CC1 ZINC001571130133 952578881 /nfs/dbraw/zinc/57/88/81/952578881.db2.gz OQNHPKXVRKQPFV-SNVBAGLBSA-N -1 1 378.387 1.495 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)[C@@H]1CCCCC1(F)F ZINC001571130514 952580935 /nfs/dbraw/zinc/58/09/35/952580935.db2.gz SAMYJBSFQCVVNO-DCAQKATOSA-N -1 1 378.387 1.541 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)[C@@H]1CCCCC1(F)F ZINC001571130514 952580940 /nfs/dbraw/zinc/58/09/40/952580940.db2.gz SAMYJBSFQCVVNO-DCAQKATOSA-N -1 1 378.387 1.541 20 0 GDADMM O=C([C@H]1C[C@@H]1C(F)F)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571130944 952583682 /nfs/dbraw/zinc/58/36/82/952583682.db2.gz ZITOOMLMPDFITC-VWYCJHECSA-N -1 1 378.387 1.351 20 0 GDADMM O=C([C@H]1C[C@@H]1C(F)F)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571130944 952583688 /nfs/dbraw/zinc/58/36/88/952583688.db2.gz ZITOOMLMPDFITC-VWYCJHECSA-N -1 1 378.387 1.351 20 0 GDADMM CC1(C)CN(c2nccnc2-c2nnn[n-]2)C[C@@H]1NC(=O)C1C=CC=CC=C1 ZINC001571134246 952587696 /nfs/dbraw/zinc/58/76/96/952587696.db2.gz DBDRCYQUEPYUDR-AWEZNQCLSA-N -1 1 378.440 1.286 20 0 GDADMM CC1(C)CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1NC(=O)C1C=CC=CC=C1 ZINC001571134246 952587697 /nfs/dbraw/zinc/58/76/97/952587697.db2.gz DBDRCYQUEPYUDR-AWEZNQCLSA-N -1 1 378.440 1.286 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ccccc1 ZINC001571134630 952593200 /nfs/dbraw/zinc/59/32/00/952593200.db2.gz IVCFRNRPTJAKMY-HIFRSBDPSA-N -1 1 378.440 1.863 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ccccc1 ZINC001571134630 952593202 /nfs/dbraw/zinc/59/32/02/952593202.db2.gz IVCFRNRPTJAKMY-HIFRSBDPSA-N -1 1 378.440 1.863 20 0 GDADMM CCc1ccc(C(=O)N[C@H]2C[C@H](CNc3nccnc3-c3nnn[n-]3)C2)cc1 ZINC001571134861 952596126 /nfs/dbraw/zinc/59/61/26/952596126.db2.gz LUJXQCGPXRCFHO-CTYIDZIISA-N -1 1 378.440 1.840 20 0 GDADMM CCc1ccc(C(=O)N[C@H]2C[C@H](CNc3nccnc3-c3nn[n-]n3)C2)cc1 ZINC001571134861 952596129 /nfs/dbraw/zinc/59/61/29/952596129.db2.gz LUJXQCGPXRCFHO-CTYIDZIISA-N -1 1 378.440 1.840 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1 ZINC001571135061 952599731 /nfs/dbraw/zinc/59/97/31/952599731.db2.gz OVMSOLBSJBFVMY-YDHLFZDLSA-N -1 1 378.440 1.767 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1 ZINC001571135061 952599733 /nfs/dbraw/zinc/59/97/33/952599733.db2.gz OVMSOLBSJBFVMY-YDHLFZDLSA-N -1 1 378.440 1.767 20 0 GDADMM Cc1cccc([C@@H](C)C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571135279 952601197 /nfs/dbraw/zinc/60/11/97/952601197.db2.gz UXTLYFZNUNWXPL-YUELXQCFSA-N -1 1 378.440 1.828 20 0 GDADMM Cc1cccc([C@@H](C)C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571135279 952601203 /nfs/dbraw/zinc/60/12/03/952601203.db2.gz UXTLYFZNUNWXPL-YUELXQCFSA-N -1 1 378.440 1.828 20 0 GDADMM Cc1ccc(C)c(CC(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571135383 952603298 /nfs/dbraw/zinc/60/32/98/952603298.db2.gz WLJNSKBNGJFDNC-OAHLLOKOSA-N -1 1 378.440 1.211 20 0 GDADMM Cc1ccc(C)c(CC(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571135383 952603301 /nfs/dbraw/zinc/60/33/01/952603301.db2.gz WLJNSKBNGJFDNC-OAHLLOKOSA-N -1 1 378.440 1.211 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@@H]2CN(C)c2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001571135506 952604997 /nfs/dbraw/zinc/60/49/97/952604997.db2.gz ZKEMYIIWIYIGPY-OAHLLOKOSA-N -1 1 378.440 1.706 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@@H]2CN(C)c2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001571135506 952604998 /nfs/dbraw/zinc/60/49/98/952604998.db2.gz ZKEMYIIWIYIGPY-OAHLLOKOSA-N -1 1 378.440 1.706 20 0 GDADMM Cc1[nH]ccc1C(=O)N[C@]12CCC[C@H]1CN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001571146777 952651910 /nfs/dbraw/zinc/65/19/10/952651910.db2.gz BWLJZXQXTFGAOL-SGTLLEGYSA-N -1 1 379.428 1.082 20 0 GDADMM Cc1[nH]ccc1C(=O)N[C@]12CCC[C@H]1CN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001571146777 952651917 /nfs/dbraw/zinc/65/19/17/952651917.db2.gz BWLJZXQXTFGAOL-SGTLLEGYSA-N -1 1 379.428 1.082 20 0 GDADMM CCc1nc(N[C@H]2CCCN(C(=O)c3ccncc3)C2)cc(-c2nnn[n-]2)n1 ZINC001571146785 952653253 /nfs/dbraw/zinc/65/32/53/952653253.db2.gz CEFDZUIYAYDAQZ-ZDUSSCGKSA-N -1 1 379.428 1.331 20 0 GDADMM CCc1nc(N[C@H]2CCCN(C(=O)c3ccncc3)C2)cc(-c2nn[n-]n2)n1 ZINC001571146785 952653256 /nfs/dbraw/zinc/65/32/56/952653256.db2.gz CEFDZUIYAYDAQZ-ZDUSSCGKSA-N -1 1 379.428 1.331 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](NC(=O)c3ccncc3)[C@@H]2C)n1 ZINC001571147397 952661002 /nfs/dbraw/zinc/66/10/02/952661002.db2.gz LZQLDQQBFYNXKD-GXTWGEPZSA-N -1 1 379.428 1.147 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](NC(=O)c3ccncc3)[C@@H]2C)n1 ZINC001571147397 952661003 /nfs/dbraw/zinc/66/10/03/952661003.db2.gz LZQLDQQBFYNXKD-GXTWGEPZSA-N -1 1 379.428 1.147 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)c3ccccn3)[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571147577 952662647 /nfs/dbraw/zinc/66/26/47/952662647.db2.gz OIZOLPNHQIZYTI-NWDGAFQWSA-N -1 1 379.428 1.329 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)c3ccccn3)[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571147577 952662649 /nfs/dbraw/zinc/66/26/49/952662649.db2.gz OIZOLPNHQIZYTI-NWDGAFQWSA-N -1 1 379.428 1.329 20 0 GDADMM CCc1cncc(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)[C@H]2C)c1 ZINC001571147813 952664766 /nfs/dbraw/zinc/66/47/66/952664766.db2.gz QNJAYCDXNWHLTG-RISCZKNCSA-N -1 1 379.428 1.329 20 0 GDADMM CCc1cncc(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)[C@H]2C)c1 ZINC001571147813 952664769 /nfs/dbraw/zinc/66/47/69/952664769.db2.gz QNJAYCDXNWHLTG-RISCZKNCSA-N -1 1 379.428 1.329 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)[C@@H]2CC23CC3)CCN1c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001571152636 952682893 /nfs/dbraw/zinc/68/28/93/952682893.db2.gz IKEKFJJAGSWMHQ-VGMNWLOBSA-N -1 1 379.877 1.860 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)[C@@H]2CC23CC3)CCN1c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001571152636 952682895 /nfs/dbraw/zinc/68/28/95/952682895.db2.gz IKEKFJJAGSWMHQ-VGMNWLOBSA-N -1 1 379.877 1.860 20 0 GDADMM O=C(NC[C@@H]1CCCN1c1snc(Cl)c1-c1nnn[n-]1)c1cn[nH]c1 ZINC001571152895 952684137 /nfs/dbraw/zinc/68/41/37/952684137.db2.gz KLJMEWZTEQWNRU-QMMMGPOBSA-N -1 1 379.837 1.099 20 0 GDADMM O=C(NC[C@@H]1CCCN1c1snc(Cl)c1-c1nn[n-]n1)c1cn[nH]c1 ZINC001571152895 952684138 /nfs/dbraw/zinc/68/41/38/952684138.db2.gz KLJMEWZTEQWNRU-QMMMGPOBSA-N -1 1 379.837 1.099 20 0 GDADMM O=C(Cc1ccco1)N1CC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571152676 952684314 /nfs/dbraw/zinc/68/43/14/952684314.db2.gz JXHLBNDIJWSBRB-QMMMGPOBSA-N -1 1 379.833 1.825 20 0 GDADMM O=C(Cc1ccco1)N1CC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571152676 952684316 /nfs/dbraw/zinc/68/43/16/952684316.db2.gz JXHLBNDIJWSBRB-QMMMGPOBSA-N -1 1 379.833 1.825 20 0 GDADMM O=C(NCC1CC(Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1)c1ccn[nH]1 ZINC001571153599 952687190 /nfs/dbraw/zinc/68/71/90/952687190.db2.gz RQPSXQIJXAAJGK-UHFFFAOYSA-N -1 1 379.837 1.320 20 0 GDADMM O=C(NCC1CC(Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1)c1ccn[nH]1 ZINC001571153599 952687192 /nfs/dbraw/zinc/68/71/92/952687192.db2.gz RQPSXQIJXAAJGK-UHFFFAOYSA-N -1 1 379.837 1.320 20 0 GDADMM CO[C@H](C)C(=O)N1CCC[C@H](CCNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571153661 952687671 /nfs/dbraw/zinc/68/76/71/952687671.db2.gz SULNTBGTTCFPAJ-VXGBXAGGSA-N -1 1 379.490 1.707 20 0 GDADMM CN(C(=O)c1ccco1)[C@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571153682 952687694 /nfs/dbraw/zinc/68/76/94/952687694.db2.gz URHZJFWXCWGRMI-QMMMGPOBSA-N -1 1 379.833 1.921 20 0 GDADMM CN(C(=O)c1ccco1)[C@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571153682 952687697 /nfs/dbraw/zinc/68/76/97/952687697.db2.gz URHZJFWXCWGRMI-QMMMGPOBSA-N -1 1 379.833 1.921 20 0 GDADMM O=C(Cc1ccco1)N[C@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571153960 952688310 /nfs/dbraw/zinc/68/83/10/952688310.db2.gz WYVIBWLCOXMBHA-QMMMGPOBSA-N -1 1 379.833 1.507 20 0 GDADMM O=C(Cc1ccco1)N[C@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571153960 952688314 /nfs/dbraw/zinc/68/83/14/952688314.db2.gz WYVIBWLCOXMBHA-QMMMGPOBSA-N -1 1 379.833 1.507 20 0 GDADMM Cc1cnc(C(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C[C@H]2C)cc1C ZINC001571156023 952701068 /nfs/dbraw/zinc/70/10/68/952701068.db2.gz AXIDPCBRPPGXQJ-CHWSQXEVSA-N -1 1 379.428 1.384 20 0 GDADMM Cc1cnc(C(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C[C@H]2C)cc1C ZINC001571156023 952701073 /nfs/dbraw/zinc/70/10/73/952701073.db2.gz AXIDPCBRPPGXQJ-CHWSQXEVSA-N -1 1 379.428 1.384 20 0 GDADMM Cc1ccc(C(=O)NCC2CC(Nc3cnc(-c4nnn[n-]4)cn3)C2)nc1C ZINC001571156749 952704755 /nfs/dbraw/zinc/70/47/55/952704755.db2.gz ITHPMIWNZSOGDS-UHFFFAOYSA-N -1 1 379.428 1.289 20 0 GDADMM Cc1ccc(C(=O)NCC2CC(Nc3cnc(-c4nn[n-]n4)cn3)C2)nc1C ZINC001571156749 952704759 /nfs/dbraw/zinc/70/47/59/952704759.db2.gz ITHPMIWNZSOGDS-UHFFFAOYSA-N -1 1 379.428 1.289 20 0 GDADMM Cc1cnccc1C(=O)N1CCC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571157129 952706940 /nfs/dbraw/zinc/70/69/40/952706940.db2.gz MVODRZXBCAKYPO-CYBMUJFWSA-N -1 1 379.428 1.324 20 0 GDADMM Cc1cnccc1C(=O)N1CCC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571157129 952706942 /nfs/dbraw/zinc/70/69/42/952706942.db2.gz MVODRZXBCAKYPO-CYBMUJFWSA-N -1 1 379.428 1.324 20 0 GDADMM Cc1ccncc1C(=O)N1CC[C@@H]([C@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571157145 952707214 /nfs/dbraw/zinc/70/72/14/952707214.db2.gz MXJVFNYCWOZPLM-QWHCGFSZSA-N -1 1 379.428 1.323 20 0 GDADMM Cc1ccncc1C(=O)N1CC[C@@H]([C@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571157145 952707217 /nfs/dbraw/zinc/70/72/17/952707217.db2.gz MXJVFNYCWOZPLM-QWHCGFSZSA-N -1 1 379.428 1.323 20 0 GDADMM Cc1cccnc1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571157972 952708792 /nfs/dbraw/zinc/70/87/92/952708792.db2.gz PBTYVWUVUGYFCI-ZDUSSCGKSA-N -1 1 379.428 1.149 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H]3CN(C(=O)c4ccco4)CC[C@@H]32)n1 ZINC001571158313 952711605 /nfs/dbraw/zinc/71/16/05/952711605.db2.gz GUTYYHJNLKZIOW-OCCSQVGLSA-N -1 1 380.412 1.299 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H]3CN(C(=O)c4ccco4)CC[C@@H]32)n1 ZINC001571158313 952711609 /nfs/dbraw/zinc/71/16/09/952711609.db2.gz GUTYYHJNLKZIOW-OCCSQVGLSA-N -1 1 380.412 1.299 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)c3ccoc3C3CC3)C2)n1 ZINC001571159542 952719597 /nfs/dbraw/zinc/71/95/97/952719597.db2.gz XRFBFTIRUCKFKI-LBPRGKRZSA-N -1 1 380.412 1.444 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)c3ccoc3C3CC3)C2)n1 ZINC001571159542 952719602 /nfs/dbraw/zinc/71/96/02/952719602.db2.gz XRFBFTIRUCKFKI-LBPRGKRZSA-N -1 1 380.412 1.444 20 0 GDADMM Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nnn[n-]2)c(C)[nH]1 ZINC001571159621 952721235 /nfs/dbraw/zinc/72/12/35/952721235.db2.gz VEHWWIAJGRIROE-BETUJISGSA-N -1 1 379.428 1.095 20 0 GDADMM Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nn[n-]n2)c(C)[nH]1 ZINC001571159621 952721240 /nfs/dbraw/zinc/72/12/40/952721240.db2.gz VEHWWIAJGRIROE-BETUJISGSA-N -1 1 379.428 1.095 20 0 GDADMM O=C(NC1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)CC1)c1cnco1 ZINC001571171699 952795904 /nfs/dbraw/zinc/79/59/04/952795904.db2.gz DEHRRDNJPSRJRY-UHFFFAOYSA-N -1 1 380.821 1.363 20 0 GDADMM CN(c1nc(Cl)c(-c2nnn[n-]2)s1)[C@H]1CCN(C(=O)c2ccon2)C1 ZINC001571171777 952797182 /nfs/dbraw/zinc/79/71/82/952797182.db2.gz GIIXSAJTTPIRMJ-ZETCQYMHSA-N -1 1 380.821 1.316 20 0 GDADMM CN(c1nc(Cl)c(-c2nn[n-]n2)s1)[C@H]1CCN(C(=O)c2ccon2)C1 ZINC001571171777 952797188 /nfs/dbraw/zinc/79/71/88/952797188.db2.gz GIIXSAJTTPIRMJ-ZETCQYMHSA-N -1 1 380.821 1.316 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccon2)C[C@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001571172521 952806867 /nfs/dbraw/zinc/80/68/67/952806867.db2.gz WDWRXROWZAJVLY-HTRCEHHLSA-N -1 1 380.821 1.537 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccon2)C[C@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001571172521 952806876 /nfs/dbraw/zinc/80/68/76/952806876.db2.gz WDWRXROWZAJVLY-HTRCEHHLSA-N -1 1 380.821 1.537 20 0 GDADMM O=C(c1coc(C2CC2)n1)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571178281 952837488 /nfs/dbraw/zinc/83/74/88/952837488.db2.gz FCSJDZGFPJRQEV-LLVKDONJSA-N -1 1 381.400 1.239 20 0 GDADMM O=C(c1coc(C2CC2)n1)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571178281 952837500 /nfs/dbraw/zinc/83/75/00/952837500.db2.gz FCSJDZGFPJRQEV-LLVKDONJSA-N -1 1 381.400 1.239 20 0 GDADMM CCc1[nH]ccc1C(=O)N[C@@H]1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571183656 952881313 /nfs/dbraw/zinc/88/13/13/952881313.db2.gz GZSHAMNJKBECCV-BXUZGUMPSA-N -1 1 381.444 1.558 20 0 GDADMM CCc1[nH]ccc1C(=O)N[C@@H]1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571183656 952881316 /nfs/dbraw/zinc/88/13/16/952881316.db2.gz GZSHAMNJKBECCV-BXUZGUMPSA-N -1 1 381.444 1.558 20 0 GDADMM CC[C@H]1CN(C(=O)c2[nH]ccc2C)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571183796 952883252 /nfs/dbraw/zinc/88/32/52/952883252.db2.gz JSBGTVZEMMIYQI-STQMWFEESA-N -1 1 381.444 1.646 20 0 GDADMM CC[C@H]1CN(C(=O)c2[nH]ccc2C)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571183796 952883261 /nfs/dbraw/zinc/88/32/61/952883261.db2.gz JSBGTVZEMMIYQI-STQMWFEESA-N -1 1 381.444 1.646 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC(C)(NC(=O)c3ccc[nH]3)CC2)n1 ZINC001571184052 952886836 /nfs/dbraw/zinc/88/68/36/952886836.db2.gz PEHZUHTZMTZUJF-UHFFFAOYSA-N -1 1 381.444 1.336 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC(C)(NC(=O)c3ccc[nH]3)CC2)n1 ZINC001571184052 952886840 /nfs/dbraw/zinc/88/68/40/952886840.db2.gz PEHZUHTZMTZUJF-UHFFFAOYSA-N -1 1 381.444 1.336 20 0 GDADMM CCc1[nH]ccc1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)[C@H]1C ZINC001571184085 952888660 /nfs/dbraw/zinc/88/86/60/952888660.db2.gz PYJVGGCKASVKBV-FZMZJTMJSA-N -1 1 381.444 1.335 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)c3c[nH]cc3C)[C@H]2C)n1 ZINC001571184334 952892431 /nfs/dbraw/zinc/89/24/31/952892431.db2.gz WLBZGFAQQBOOGC-YPMHNXCESA-N -1 1 381.444 1.253 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)c3c[nH]cc3C)[C@H]2C)n1 ZINC001571184334 952892439 /nfs/dbraw/zinc/89/24/39/952892439.db2.gz WLBZGFAQQBOOGC-YPMHNXCESA-N -1 1 381.444 1.253 20 0 GDADMM Cc1c(C(=O)N2CCC(Nc3nc(C)cc(-c4nnn[n-]4)n3)CC2)ccn1C ZINC001571184843 952898946 /nfs/dbraw/zinc/89/89/46/952898946.db2.gz FDJLXSFBZDRGFX-UHFFFAOYSA-N -1 1 381.444 1.329 20 0 GDADMM Cc1c(C(=O)N2CCC(Nc3nc(C)cc(-c4nn[n-]n4)n3)CC2)ccn1C ZINC001571184843 952898950 /nfs/dbraw/zinc/89/89/50/952898950.db2.gz FDJLXSFBZDRGFX-UHFFFAOYSA-N -1 1 381.444 1.329 20 0 GDADMM CCn1ccc(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)c1C ZINC001571185054 952899989 /nfs/dbraw/zinc/89/99/89/952899989.db2.gz HPQHGJLOITUEIS-CYBMUJFWSA-N -1 1 381.444 1.503 20 0 GDADMM CCn1ccc(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)c1C ZINC001571185054 952899993 /nfs/dbraw/zinc/89/99/93/952899993.db2.gz HPQHGJLOITUEIS-CYBMUJFWSA-N -1 1 381.444 1.503 20 0 GDADMM Cc1c(C(=O)N[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)[C@H]2C)ccn1C ZINC001571185028 952900247 /nfs/dbraw/zinc/90/02/47/952900247.db2.gz GYHAIBHBAZDGNS-JSGCOSHPSA-N -1 1 381.444 1.091 20 0 GDADMM Cc1c(C(=O)N[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)[C@H]2C)ccn1C ZINC001571185028 952900248 /nfs/dbraw/zinc/90/02/48/952900248.db2.gz GYHAIBHBAZDGNS-JSGCOSHPSA-N -1 1 381.444 1.091 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CCC[C@@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571185240 952901063 /nfs/dbraw/zinc/90/10/63/952901063.db2.gz JXYBSYOYZRGTQP-WCQYABFASA-N -1 1 381.444 1.646 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CCC[C@@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571185240 952901068 /nfs/dbraw/zinc/90/10/68/952901068.db2.gz JXYBSYOYZRGTQP-WCQYABFASA-N -1 1 381.444 1.646 20 0 GDADMM CCn1cccc1C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)[C@H]1C ZINC001571185376 952901074 /nfs/dbraw/zinc/90/10/74/952901074.db2.gz KVUMIQJTRFKTAB-QWHCGFSZSA-N -1 1 381.444 1.265 20 0 GDADMM CCn1cccc1C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)[C@H]1C ZINC001571185376 952901078 /nfs/dbraw/zinc/90/10/78/952901078.db2.gz KVUMIQJTRFKTAB-QWHCGFSZSA-N -1 1 381.444 1.265 20 0 GDADMM Cc1c[nH]cc1C(=O)N[C@H]1CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571185840 952904493 /nfs/dbraw/zinc/90/44/93/952904493.db2.gz QOARDKSVYLYOEE-JSGCOSHPSA-N -1 1 381.444 1.694 20 0 GDADMM Cc1c[nH]cc1C(=O)N[C@H]1CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571185840 952904494 /nfs/dbraw/zinc/90/44/94/952904494.db2.gz QOARDKSVYLYOEE-JSGCOSHPSA-N -1 1 381.444 1.694 20 0 GDADMM Cc1[nH]ccc1C(=O)N[C@H]1CC[C@H](C)N(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571186286 952906684 /nfs/dbraw/zinc/90/66/84/952906684.db2.gz VLPQKQZUSLWRMO-AAEUAGOBSA-N -1 1 381.444 1.389 20 0 GDADMM Cc1[nH]ccc1C(=O)N[C@H]1CC[C@H](C)N(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571186286 952906686 /nfs/dbraw/zinc/90/66/86/952906686.db2.gz VLPQKQZUSLWRMO-AAEUAGOBSA-N -1 1 381.444 1.389 20 0 GDADMM Cn1ccc(C(=O)N[C@@H]2CCCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)c1 ZINC001571189698 952933271 /nfs/dbraw/zinc/93/32/71/952933271.db2.gz RUQLDMVXTMKZRR-TZMCWYRMSA-N -1 1 381.444 1.396 20 0 GDADMM Cn1ccc(C(=O)N[C@@H]2CCCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)c1 ZINC001571189698 952933280 /nfs/dbraw/zinc/93/32/80/952933280.db2.gz RUQLDMVXTMKZRR-TZMCWYRMSA-N -1 1 381.444 1.396 20 0 GDADMM CC1(C)C[C@@H]1C(=O)NC[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571192235 952948401 /nfs/dbraw/zinc/94/84/01/952948401.db2.gz VHZGPLSBFZAVBC-DTWKUNHWSA-N -1 1 381.893 1.965 20 0 GDADMM O=C(c1cnon1)N1CCC(Nc2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC001571192802 952950323 /nfs/dbraw/zinc/95/03/23/952950323.db2.gz WAFFMXBTXJWNDN-UHFFFAOYSA-N -1 1 381.809 1.076 20 0 GDADMM O=C(c1cnon1)N1CCC(Nc2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC001571192802 952950324 /nfs/dbraw/zinc/95/03/24/952950324.db2.gz WAFFMXBTXJWNDN-UHFFFAOYSA-N -1 1 381.809 1.076 20 0 GDADMM CN(C(=O)Cc1cccc(F)c1)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571195692 952977833 /nfs/dbraw/zinc/97/78/33/952977833.db2.gz DOOMILILFNVADP-CQSZACIVSA-N -1 1 382.403 1.076 20 0 GDADMM CN(C(=O)Cc1cccc(F)c1)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571195692 952977837 /nfs/dbraw/zinc/97/78/37/952977837.db2.gz DOOMILILFNVADP-CQSZACIVSA-N -1 1 382.403 1.076 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cccc(F)c1 ZINC001571195696 952978086 /nfs/dbraw/zinc/97/80/86/952978086.db2.gz DQUJULVAXUQRMM-SMDDNHRTSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cccc(F)c1 ZINC001571195696 952978092 /nfs/dbraw/zinc/97/80/92/952978092.db2.gz DQUJULVAXUQRMM-SMDDNHRTSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@@H]1C[C@H]1C(=O)NCc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1F ZINC001571195792 952978679 /nfs/dbraw/zinc/97/86/79/952978679.db2.gz FZKZPRVZAQOXRR-ZWNOBZJWSA-N -1 1 382.403 1.680 20 0 GDADMM C[C@@H]1C[C@H]1C(=O)NCc1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cc1F ZINC001571195792 952978683 /nfs/dbraw/zinc/97/86/83/952978683.db2.gz FZKZPRVZAQOXRR-ZWNOBZJWSA-N -1 1 382.403 1.680 20 0 GDADMM O=C([C@@H](F)c1ccccc1)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571195728 952978766 /nfs/dbraw/zinc/97/87/66/952978766.db2.gz FMDANCUNOMEFMT-CJNGLKHVSA-N -1 1 382.403 1.770 20 0 GDADMM O=C([C@@H](F)c1ccccc1)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571195728 952978771 /nfs/dbraw/zinc/97/87/71/952978771.db2.gz FMDANCUNOMEFMT-CJNGLKHVSA-N -1 1 382.403 1.770 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@H]2CCN(C(=O)c3ccccc3F)C2)n1 ZINC001571195782 952979453 /nfs/dbraw/zinc/97/94/53/952979453.db2.gz FYTOSOSYGDRJSK-LBPRGKRZSA-N -1 1 382.403 1.455 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@H]2CCN(C(=O)c3ccccc3F)C2)n1 ZINC001571195782 952979457 /nfs/dbraw/zinc/97/94/57/952979457.db2.gz FYTOSOSYGDRJSK-LBPRGKRZSA-N -1 1 382.403 1.455 20 0 GDADMM Cc1cccc(F)c1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571196139 952979821 /nfs/dbraw/zinc/97/98/21/952979821.db2.gz HQYGUAKNHFINIH-GFCCVEGCSA-N -1 1 382.403 1.503 20 0 GDADMM CC1(C)CN(C(=O)c2ccccc2F)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571196099 952979975 /nfs/dbraw/zinc/97/99/75/952979975.db2.gz HIKUKISWIUCAFF-ZDUSSCGKSA-N -1 1 382.403 1.759 20 0 GDADMM CC1(C)CN(C(=O)c2ccccc2F)C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571196099 952979982 /nfs/dbraw/zinc/97/99/82/952979982.db2.gz HIKUKISWIUCAFF-ZDUSSCGKSA-N -1 1 382.403 1.759 20 0 GDADMM Cc1c(F)cccc1C(=O)NC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571196394 952981053 /nfs/dbraw/zinc/98/10/53/952981053.db2.gz KEVSWFXTHFMBOX-LBPRGKRZSA-N -1 1 382.403 1.361 20 0 GDADMM Cc1c(F)cccc1C(=O)NC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571196394 952981055 /nfs/dbraw/zinc/98/10/55/952981055.db2.gz KEVSWFXTHFMBOX-LBPRGKRZSA-N -1 1 382.403 1.361 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)Cc1ccc(F)cc1 ZINC001571196421 952981644 /nfs/dbraw/zinc/98/16/44/952981644.db2.gz KJLRLGINTCBRIM-RISCZKNCSA-N -1 1 382.403 1.440 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)Cc1ccc(F)cc1 ZINC001571196421 952981646 /nfs/dbraw/zinc/98/16/46/952981646.db2.gz KJLRLGINTCBRIM-RISCZKNCSA-N -1 1 382.403 1.440 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cccc(F)c1 ZINC001571196379 952982026 /nfs/dbraw/zinc/98/20/26/952982026.db2.gz JYKGHBYWSJCIAR-LERXQTSPSA-N -1 1 382.403 1.659 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cccc(F)c1 ZINC001571196379 952982028 /nfs/dbraw/zinc/98/20/28/952982028.db2.gz JYKGHBYWSJCIAR-LERXQTSPSA-N -1 1 382.403 1.659 20 0 GDADMM Cc1c(F)cccc1C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1 ZINC001571196455 952982058 /nfs/dbraw/zinc/98/20/58/952982058.db2.gz KRPUGQMLNIQYLJ-LBPRGKRZSA-N -1 1 382.403 1.503 20 0 GDADMM Cc1c(F)cccc1C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1 ZINC001571196455 952982062 /nfs/dbraw/zinc/98/20/62/952982062.db2.gz KRPUGQMLNIQYLJ-LBPRGKRZSA-N -1 1 382.403 1.503 20 0 GDADMM Cc1cc(F)cc(C(=O)N2CCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571196730 952982378 /nfs/dbraw/zinc/98/23/78/952982378.db2.gz MWYPJDRQOYNRNL-AWEZNQCLSA-N -1 1 382.403 1.243 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)c3ccccc3F)[C@@H]2C)n1 ZINC001571196698 952982604 /nfs/dbraw/zinc/98/26/04/952982604.db2.gz MMEQUGJFPATRGH-BXUZGUMPSA-N -1 1 382.403 1.819 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)c3ccccc3F)[C@@H]2C)n1 ZINC001571196698 952982611 /nfs/dbraw/zinc/98/26/11/952982611.db2.gz MMEQUGJFPATRGH-BXUZGUMPSA-N -1 1 382.403 1.819 20 0 GDADMM O=C(CCc1ccccc1F)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571197278 952987584 /nfs/dbraw/zinc/98/75/84/952987584.db2.gz VATFBOHDZBOTBN-CYBMUJFWSA-N -1 1 382.403 1.441 20 0 GDADMM O=C(CCc1ccccc1F)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571197278 952987586 /nfs/dbraw/zinc/98/75/86/952987586.db2.gz VATFBOHDZBOTBN-CYBMUJFWSA-N -1 1 382.403 1.441 20 0 GDADMM Cc1cc(F)cc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@H]2C)c1 ZINC001571197434 952989767 /nfs/dbraw/zinc/98/97/67/952989767.db2.gz ZVGLYBZJZXANRN-RISCZKNCSA-N -1 1 382.403 1.241 20 0 GDADMM Cc1occc1C(=O)N[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001571198985 952995338 /nfs/dbraw/zinc/99/53/38/952995338.db2.gz JNTRDFAVGOZQSV-AAEUAGOBSA-N -1 1 382.428 1.654 20 0 GDADMM Cc1occc1C(=O)N[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001571198985 952995348 /nfs/dbraw/zinc/99/53/48/952995348.db2.gz JNTRDFAVGOZQSV-AAEUAGOBSA-N -1 1 382.428 1.654 20 0 GDADMM O=C(NC[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccc(F)cc1 ZINC001571200005 953007085 /nfs/dbraw/zinc/00/70/85/953007085.db2.gz GZPHVVLGRVCDGY-GFCCVEGCSA-N -1 1 382.403 1.442 20 0 GDADMM O=C(NC[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccc(F)cc1 ZINC001571200005 953007089 /nfs/dbraw/zinc/00/70/89/953007089.db2.gz GZPHVVLGRVCDGY-GFCCVEGCSA-N -1 1 382.403 1.442 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@](C)(CNc2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001571200321 953008924 /nfs/dbraw/zinc/00/89/24/953008924.db2.gz HSHIVUXPJVBUMN-XIKOKIGWSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@](C)(CNc2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001571200321 953008926 /nfs/dbraw/zinc/00/89/26/953008926.db2.gz HSHIVUXPJVBUMN-XIKOKIGWSA-N -1 1 382.428 1.704 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H](C)[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)o1 ZINC001571200552 953009934 /nfs/dbraw/zinc/00/99/34/953009934.db2.gz DKSRGKBMOITERW-WCQYABFASA-N -1 1 382.428 1.768 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H](C)[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)o1 ZINC001571200552 953009941 /nfs/dbraw/zinc/00/99/41/953009941.db2.gz DKSRGKBMOITERW-WCQYABFASA-N -1 1 382.428 1.768 20 0 GDADMM Cc1ccc(C(=O)N2CCCC[C@@H]2CN(C)c2cncc(-c3nnn[n-]3)n2)o1 ZINC001571200510 953010161 /nfs/dbraw/zinc/01/01/61/953010161.db2.gz CSEOLQGOIXQHPG-CYBMUJFWSA-N -1 1 382.428 1.689 20 0 GDADMM Cc1ccc(C(=O)N2CCCC[C@@H]2CN(C)c2cncc(-c3nn[n-]n3)n2)o1 ZINC001571200510 953010165 /nfs/dbraw/zinc/01/01/65/953010165.db2.gz CSEOLQGOIXQHPG-CYBMUJFWSA-N -1 1 382.428 1.689 20 0 GDADMM Cc1coc(C)c1C(=O)NC1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571201007 953014112 /nfs/dbraw/zinc/01/41/12/953014112.db2.gz HWOKMZVWCDPZLP-UHFFFAOYSA-N -1 1 382.428 1.655 20 0 GDADMM Cc1coc(C)c1C(=O)NC1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571201007 953014114 /nfs/dbraw/zinc/01/41/14/953014114.db2.gz HWOKMZVWCDPZLP-UHFFFAOYSA-N -1 1 382.428 1.655 20 0 GDADMM Cc1cc(C)c(C(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C(C)(C)C2)o1 ZINC001571201658 953019380 /nfs/dbraw/zinc/01/93/80/953019380.db2.gz MLGJDMXKGOJQNK-ZDUSSCGKSA-N -1 1 382.428 1.829 20 0 GDADMM Cc1cc(C)c(C(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C(C)(C)C2)o1 ZINC001571201658 953019385 /nfs/dbraw/zinc/01/93/85/953019385.db2.gz MLGJDMXKGOJQNK-ZDUSSCGKSA-N -1 1 382.428 1.829 20 0 GDADMM Cc1ccc(CC(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)[C@H]2C)o1 ZINC001571201709 953020122 /nfs/dbraw/zinc/02/01/22/953020122.db2.gz NJFINQRUUCMUMO-JSGCOSHPSA-N -1 1 382.428 1.274 20 0 GDADMM Cc1ccc(CC(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)[C@H]2C)o1 ZINC001571201709 953020126 /nfs/dbraw/zinc/02/01/26/953020126.db2.gz NJFINQRUUCMUMO-JSGCOSHPSA-N -1 1 382.428 1.274 20 0 GDADMM Cc1ccoc1CC(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)[C@H](C)C1 ZINC001571201865 953021196 /nfs/dbraw/zinc/02/11/96/953021196.db2.gz OXBRTSZFJMYEKR-OLZOCXBDSA-N -1 1 382.428 1.450 20 0 GDADMM Cc1ccoc1CC(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)[C@H](C)C1 ZINC001571201865 953021199 /nfs/dbraw/zinc/02/11/99/953021199.db2.gz OXBRTSZFJMYEKR-OLZOCXBDSA-N -1 1 382.428 1.450 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)[C@@H](C)C2)co1 ZINC001571202327 953024532 /nfs/dbraw/zinc/02/45/32/953024532.db2.gz TUSBGTPPDCBQOJ-WCQYABFASA-N -1 1 382.428 1.190 20 0 GDADMM Cc1cocc1C(=O)N1CCC[C@@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571202584 953026653 /nfs/dbraw/zinc/02/66/53/953026653.db2.gz VJIUSTCJZFZTHI-ZDUSSCGKSA-N -1 1 382.428 1.547 20 0 GDADMM Cc1cocc1C(=O)N1CCC[C@@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571202584 953026656 /nfs/dbraw/zinc/02/66/56/953026656.db2.gz VJIUSTCJZFZTHI-ZDUSSCGKSA-N -1 1 382.428 1.547 20 0 GDADMM Cc1cocc1C(=O)N1CCC[C@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571202582 953027134 /nfs/dbraw/zinc/02/71/34/953027134.db2.gz VJIUSTCJZFZTHI-CYBMUJFWSA-N -1 1 382.428 1.547 20 0 GDADMM Cc1cocc1C(=O)N1CCC[C@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571202582 953027140 /nfs/dbraw/zinc/02/71/40/953027140.db2.gz VJIUSTCJZFZTHI-CYBMUJFWSA-N -1 1 382.428 1.547 20 0 GDADMM Cc1cc(C(=O)N2CCC(CNc3nccnc3-c3nnn[n-]3)CC2)oc1C ZINC001571202639 953027421 /nfs/dbraw/zinc/02/74/21/953027421.db2.gz WTRVVORDVCRMLO-UHFFFAOYSA-N -1 1 382.428 1.831 20 0 GDADMM Cc1cc(C(=O)N2CCC(CNc3nccnc3-c3nn[n-]n3)CC2)oc1C ZINC001571202639 953027425 /nfs/dbraw/zinc/02/74/25/953027425.db2.gz WTRVVORDVCRMLO-UHFFFAOYSA-N -1 1 382.428 1.831 20 0 GDADMM Cc1cc(C(=O)NC[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)oc1C ZINC001571202615 953028232 /nfs/dbraw/zinc/02/82/32/953028232.db2.gz VUZDTJVPTAMXPF-ZDUSSCGKSA-N -1 1 382.428 1.513 20 0 GDADMM Cc1cc(C(=O)NC[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)oc1C ZINC001571202615 953028240 /nfs/dbraw/zinc/02/82/40/953028240.db2.gz VUZDTJVPTAMXPF-ZDUSSCGKSA-N -1 1 382.428 1.513 20 0 GDADMM Cc1cc(C(=O)N2C[C@H](C)[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)oc1C ZINC001571202797 953028692 /nfs/dbraw/zinc/02/86/92/953028692.db2.gz YVNVPXKXWVBHMG-AAEUAGOBSA-N -1 1 382.428 1.687 20 0 GDADMM Cc1cc(C(=O)N2C[C@H](C)[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)oc1C ZINC001571202797 953028698 /nfs/dbraw/zinc/02/86/98/953028698.db2.gz YVNVPXKXWVBHMG-AAEUAGOBSA-N -1 1 382.428 1.687 20 0 GDADMM CC(C)(C)c1n[nH]cc1C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571205807 953042812 /nfs/dbraw/zinc/04/28/12/953042812.db2.gz MHADWLJIRFARFG-AOOOYVTPSA-N -1 1 382.432 1.050 20 0 GDADMM CC(C)(C)c1n[nH]cc1C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571205807 953042816 /nfs/dbraw/zinc/04/28/16/953042816.db2.gz MHADWLJIRFARFG-AOOOYVTPSA-N -1 1 382.432 1.050 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3C[C@@H]3C)C2)n1 ZINC001571211579 953078331 /nfs/dbraw/zinc/07/83/31/953078331.db2.gz CEPOQSNMOOMAAL-LRBFIZQNSA-N -1 1 382.472 1.350 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3C[C@@H]3C)C2)n1 ZINC001571211579 953078334 /nfs/dbraw/zinc/07/83/34/953078334.db2.gz CEPOQSNMOOMAAL-LRBFIZQNSA-N -1 1 382.472 1.350 20 0 GDADMM CC1(C(=O)N2CCC[C@H]3[C@H]2CCN3c2ccc(-c3nnn[n-]3)nn2)CCCC1 ZINC001571211591 953078965 /nfs/dbraw/zinc/07/89/65/953078965.db2.gz CMQMMGHZIKGUGD-LSDHHAIUSA-N -1 1 382.472 1.807 20 0 GDADMM CC1(C(=O)N2CCC[C@H]3[C@H]2CCN3c2ccc(-c3nn[n-]n3)nn2)CCCC1 ZINC001571211591 953078968 /nfs/dbraw/zinc/07/89/68/953078968.db2.gz CMQMMGHZIKGUGD-LSDHHAIUSA-N -1 1 382.472 1.807 20 0 GDADMM CC1(C(=O)N2CCC(N(CC3CC3)c3ccnc(-c4nn[n-]n4)n3)CC2)CC1 ZINC001571211737 953080827 /nfs/dbraw/zinc/08/08/27/953080827.db2.gz DQWFMFAOXOXVNF-UHFFFAOYSA-N -1 1 382.472 1.664 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](CNC(=O)[C@H]3C[C@H]4C[C@H]4C3)C2)n1 ZINC001571211720 953080835 /nfs/dbraw/zinc/08/08/35/953080835.db2.gz DEKMVMGCUIHIIF-KBXIAJHMSA-N -1 1 382.472 1.344 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](CNC(=O)[C@H]3C[C@H]4C[C@H]4C3)C2)n1 ZINC001571211720 953080838 /nfs/dbraw/zinc/08/08/38/953080838.db2.gz DEKMVMGCUIHIIF-KBXIAJHMSA-N -1 1 382.472 1.344 20 0 GDADMM C[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)C1CCC1 ZINC001571212278 953086422 /nfs/dbraw/zinc/08/64/22/953086422.db2.gz KLJPEYOLWXTMSN-CFVMTHIKSA-N -1 1 382.472 1.663 20 0 GDADMM CN(C(=O)[C@H]1CCCC12CC2)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571212470 953089709 /nfs/dbraw/zinc/08/97/09/953089709.db2.gz MFJHITWTWJOAGU-CQSZACIVSA-N -1 1 382.472 1.664 20 0 GDADMM CN(C(=O)[C@H]1CCCC12CC2)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571212470 953089713 /nfs/dbraw/zinc/08/97/13/953089713.db2.gz MFJHITWTWJOAGU-CQSZACIVSA-N -1 1 382.472 1.664 20 0 GDADMM CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001571212929 953091207 /nfs/dbraw/zinc/09/12/07/953091207.db2.gz OHNBQNPUZJSCSM-PAURTPPISA-N -1 1 382.472 1.627 20 0 GDADMM CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001571212929 953091209 /nfs/dbraw/zinc/09/12/09/953091209.db2.gz OHNBQNPUZJSCSM-PAURTPPISA-N -1 1 382.472 1.627 20 0 GDADMM CC1(C)CN(C(=O)C23CCC(CC2)C3)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571213296 953094614 /nfs/dbraw/zinc/09/46/14/953094614.db2.gz RCCDAORFQYJRJL-GBRVTDDUSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(C)CN(C(=O)C23CCC(CC2)C3)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571213296 953094616 /nfs/dbraw/zinc/09/46/16/953094616.db2.gz RCCDAORFQYJRJL-GBRVTDDUSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(C)CC[C@@H]1C(=O)N[C@]12CCC[C@@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001571213265 953094776 /nfs/dbraw/zinc/09/47/76/953094776.db2.gz QOUAZZMOSZXTEE-NQCMUKECSA-N -1 1 382.472 1.711 20 0 GDADMM CC1(C(=O)N[C@@H]2CC[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]3C2)CCC1 ZINC001571213622 953096916 /nfs/dbraw/zinc/09/69/16/953096916.db2.gz SKUDRKQZVZBHBY-BFHYXJOUSA-N -1 1 382.472 1.568 20 0 GDADMM CC1(C(=O)N[C@@H]2CC[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]3C2)CCC1 ZINC001571213622 953096919 /nfs/dbraw/zinc/09/69/19/953096919.db2.gz SKUDRKQZVZBHBY-BFHYXJOUSA-N -1 1 382.472 1.568 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](C)[C@H](NC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)C2)n1 ZINC001571214093 953099462 /nfs/dbraw/zinc/09/94/62/953099462.db2.gz WWCYXEDFILEDQE-BCEUIYSSSA-N -1 1 382.472 1.342 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](C)[C@H](NC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)C2)n1 ZINC001571214093 953099466 /nfs/dbraw/zinc/09/94/66/953099466.db2.gz WWCYXEDFILEDQE-BCEUIYSSSA-N -1 1 382.472 1.342 20 0 GDADMM O=C(CC1CCCCC1)N1CC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001571216764 953103723 /nfs/dbraw/zinc/10/37/23/953103723.db2.gz AJIDCJNUZRUNKW-GOEBONIOSA-N -1 1 382.472 1.664 20 0 GDADMM O=C(CC1CCCCC1)N1CC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571216764 953103724 /nfs/dbraw/zinc/10/37/24/953103724.db2.gz AJIDCJNUZRUNKW-GOEBONIOSA-N -1 1 382.472 1.664 20 0 GDADMM O=C(N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)[C@H]1CCCC12CC2 ZINC001571217266 953106550 /nfs/dbraw/zinc/10/65/50/953106550.db2.gz DFZRAZQAEQMHMK-UONOGXRCSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)[C@H]1CCCC12CC2 ZINC001571217266 953106551 /nfs/dbraw/zinc/10/65/51/953106551.db2.gz DFZRAZQAEQMHMK-UONOGXRCSA-N -1 1 382.472 1.712 20 0 GDADMM C[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ncccc1F ZINC001571217393 953108562 /nfs/dbraw/zinc/10/85/62/953108562.db2.gz KOYOTCYHOZLEIN-WDEREUQCSA-N -1 1 383.391 1.296 20 0 GDADMM C[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ncccc1F ZINC001571217393 953108566 /nfs/dbraw/zinc/10/85/66/953108566.db2.gz KOYOTCYHOZLEIN-WDEREUQCSA-N -1 1 383.391 1.296 20 0 GDADMM O=C([C@H]1CC12CCCC2)N1CC[C@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001571218410 953114693 /nfs/dbraw/zinc/11/46/93/953114693.db2.gz MUJARAGZKXCOPG-UONOGXRCSA-N -1 1 382.472 1.888 20 0 GDADMM O=C([C@H]1CC12CCCC2)N1CC[C@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001571218410 953114701 /nfs/dbraw/zinc/11/47/01/953114701.db2.gz MUJARAGZKXCOPG-UONOGXRCSA-N -1 1 382.472 1.888 20 0 GDADMM O=C([C@@H]1CC2CCC1CC2)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571218471 953114839 /nfs/dbraw/zinc/11/48/39/953114839.db2.gz OVHOTRZMNKGFJJ-OOJKYFRXSA-N -1 1 382.472 1.743 20 0 GDADMM O=C([C@@H]1CC2CCC1CC2)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571218471 953114845 /nfs/dbraw/zinc/11/48/45/953114845.db2.gz OVHOTRZMNKGFJJ-OOJKYFRXSA-N -1 1 382.472 1.743 20 0 GDADMM O=C(N[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1)c1nccs1 ZINC001571218489 953115864 /nfs/dbraw/zinc/11/58/64/953115864.db2.gz PEQKCMFQTDSSHE-LURJTMIESA-N -1 1 382.862 1.442 20 0 GDADMM O=C(N[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1)c1nccs1 ZINC001571218489 953115867 /nfs/dbraw/zinc/11/58/67/953115867.db2.gz PEQKCMFQTDSSHE-LURJTMIESA-N -1 1 382.862 1.442 20 0 GDADMM O=C(CCC1CCC1)N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571218940 953121103 /nfs/dbraw/zinc/12/11/03/953121103.db2.gz SROLUWDXPRMINI-HOTGVXAUSA-N -1 1 382.472 1.807 20 0 GDADMM O=C(CCC1CCC1)N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571218940 953121106 /nfs/dbraw/zinc/12/11/06/953121106.db2.gz SROLUWDXPRMINI-HOTGVXAUSA-N -1 1 382.472 1.807 20 0 GDADMM O=C([C@@H]1C[C@H]1C1CCC1)N1CCC(CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571219402 953125593 /nfs/dbraw/zinc/12/55/93/953125593.db2.gz YZJLNWBGZXXNNM-LSDHHAIUSA-N -1 1 382.472 1.743 20 0 GDADMM O=C([C@@H]1C[C@H]1C1CCC1)N1CCC(CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571219402 953125597 /nfs/dbraw/zinc/12/55/97/953125597.db2.gz YZJLNWBGZXXNNM-LSDHHAIUSA-N -1 1 382.472 1.743 20 0 GDADMM CCc1nc(C(=O)N2CCC(Nc3nccnc3-c3nnn[n-]3)CC2)c(C)o1 ZINC001571222092 953130847 /nfs/dbraw/zinc/13/08/47/953130847.db2.gz BZGKMRZWUWOOTB-UHFFFAOYSA-N -1 1 383.416 1.232 20 0 GDADMM CCc1nc(C(=O)N2CCC(Nc3nccnc3-c3nn[n-]n3)CC2)c(C)o1 ZINC001571222092 953130851 /nfs/dbraw/zinc/13/08/51/953130851.db2.gz BZGKMRZWUWOOTB-UHFFFAOYSA-N -1 1 383.416 1.232 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571222129 953131535 /nfs/dbraw/zinc/13/15/35/953131535.db2.gz CWEPVNKVURSFFG-LLVKDONJSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571222129 953131536 /nfs/dbraw/zinc/13/15/36/953131536.db2.gz CWEPVNKVURSFFG-LLVKDONJSA-N -1 1 383.416 1.167 20 0 GDADMM CCc1oncc1C(=O)N1CCC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571222269 953132933 /nfs/dbraw/zinc/13/29/33/953132933.db2.gz BXLHHRYHRAGMQY-NSHDSACASA-N -1 1 383.416 1.171 20 0 GDADMM CCc1oncc1C(=O)N1CCC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571222269 953132937 /nfs/dbraw/zinc/13/29/37/953132937.db2.gz BXLHHRYHRAGMQY-NSHDSACASA-N -1 1 383.416 1.171 20 0 GDADMM CCCc1cc(C(=O)N2CCC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)no1 ZINC001571223723 953145952 /nfs/dbraw/zinc/14/59/52/953145952.db2.gz TYPMONUSGOJWBO-LLVKDONJSA-N -1 1 383.416 1.314 20 0 GDADMM CCCc1cc(C(=O)N2CCC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)no1 ZINC001571223723 953145958 /nfs/dbraw/zinc/14/59/58/953145958.db2.gz TYPMONUSGOJWBO-LLVKDONJSA-N -1 1 383.416 1.314 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CC[C@@H](C)N(c3nc(C)cc(-c4nnn[n-]4)n3)C2)on1 ZINC001571225635 953153799 /nfs/dbraw/zinc/15/37/99/953153799.db2.gz LWELKMLTQQWQEG-VXGBXAGGSA-N -1 1 383.416 1.049 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CC[C@@H](C)N(c3nc(C)cc(-c4nn[n-]n4)n3)C2)on1 ZINC001571225635 953153802 /nfs/dbraw/zinc/15/38/02/953153802.db2.gz LWELKMLTQQWQEG-VXGBXAGGSA-N -1 1 383.416 1.049 20 0 GDADMM O=C(N[C@H](CO)[C@@H](O)C1CCCCC1)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001571241453 953246740 /nfs/dbraw/zinc/24/67/40/953246740.db2.gz ABCIDEYOUXBCMD-PBHICJAKSA-N -1 1 384.440 1.380 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)[C@H]2C)s1 ZINC001571244882 953268003 /nfs/dbraw/zinc/26/80/03/953268003.db2.gz LBZZBYSLEMJISH-DGCLKSJQSA-N -1 1 384.469 1.671 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)[C@H]2C)s1 ZINC001571244882 953268007 /nfs/dbraw/zinc/26/80/07/953268007.db2.gz LBZZBYSLEMJISH-DGCLKSJQSA-N -1 1 384.469 1.671 20 0 GDADMM Cc1csc(C(=O)N[C@]2(C)CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)c1 ZINC001571244880 953268247 /nfs/dbraw/zinc/26/82/47/953268247.db2.gz KZDIXAUVKFKEMR-QGZVFWFLSA-N -1 1 384.469 1.734 20 0 GDADMM Cc1csc(C(=O)N[C@]2(C)CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)c1 ZINC001571244880 953268248 /nfs/dbraw/zinc/26/82/48/953268248.db2.gz KZDIXAUVKFKEMR-QGZVFWFLSA-N -1 1 384.469 1.734 20 0 GDADMM CCc1ccsc1C(=O)N1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C[C@@H]1C ZINC001571245083 953270153 /nfs/dbraw/zinc/27/01/53/953270153.db2.gz NMVODGRBGJKIHG-CMPLNLGQSA-N -1 1 384.469 1.996 20 0 GDADMM CCc1ccsc1C(=O)N1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C[C@@H]1C ZINC001571245083 953270154 /nfs/dbraw/zinc/27/01/54/953270154.db2.gz NMVODGRBGJKIHG-CMPLNLGQSA-N -1 1 384.469 1.996 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCc1cccs1 ZINC001571246145 953280782 /nfs/dbraw/zinc/28/07/82/953280782.db2.gz UYZWKDRECHMHPL-DGCLKSJQSA-N -1 1 384.469 1.752 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1cccs1 ZINC001571246145 953280786 /nfs/dbraw/zinc/28/07/86/953280786.db2.gz UYZWKDRECHMHPL-DGCLKSJQSA-N -1 1 384.469 1.752 20 0 GDADMM Cc1sccc1C(=O)N1CCC(CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571247852 953287235 /nfs/dbraw/zinc/28/72/35/953287235.db2.gz GEFGHHSCZCSHAV-UHFFFAOYSA-N -1 1 384.469 1.991 20 0 GDADMM Cc1sccc1C(=O)N1CCC(CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571247852 953287237 /nfs/dbraw/zinc/28/72/37/953287237.db2.gz GEFGHHSCZCSHAV-UHFFFAOYSA-N -1 1 384.469 1.991 20 0 GDADMM Cc1sccc1C(=O)N1CCC(N(C)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571248198 953290932 /nfs/dbraw/zinc/29/09/32/953290932.db2.gz NEYLUGMQOUIGEX-UHFFFAOYSA-N -1 1 384.469 1.768 20 0 GDADMM Cc1nsc(N2CC[C@H](NC(=O)[C@H](C)c3cccnc3)C2)c1-c1nn[n-]n1 ZINC001571248389 953292837 /nfs/dbraw/zinc/29/28/37/953292837.db2.gz SDUPMCATBAKZBC-MFKMUULPSA-N -1 1 384.469 1.525 20 0 GDADMM C[C@@H](CC(=O)N1CCC(CCNc2ccnc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001571249058 953300807 /nfs/dbraw/zinc/30/08/07/953300807.db2.gz CAMLDCHESXYYTO-ZDUSSCGKSA-N -1 1 384.488 1.555 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571249074 953300885 /nfs/dbraw/zinc/30/08/85/953300885.db2.gz CKIZCIMUSBBEOS-BFHYXJOUSA-N -1 1 384.488 1.411 20 0 GDADMM C[C@@H]1CCCN(C(=O)CCC2CCC2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571249141 953301368 /nfs/dbraw/zinc/30/13/68/953301368.db2.gz DTYWAQOMCPGUTA-UKRRQHHQSA-N -1 1 384.488 1.698 20 0 GDADMM CC1(C)CC[C@@H]1C(=O)N1CCC[C@@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571249396 953305029 /nfs/dbraw/zinc/30/50/29/953305029.db2.gz ICZAOTRZFGJMAJ-UONOGXRCSA-N -1 1 384.488 1.555 20 0 GDADMM CC[C@H]1CN(C(=O)C2CC(C)(C)C2)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571250196 953309198 /nfs/dbraw/zinc/30/91/98/953309198.db2.gz OFXZIUZSPTXMNP-GXTWGEPZSA-N -1 1 384.488 1.554 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)CC(C)(C)C1 ZINC001571250242 953309301 /nfs/dbraw/zinc/30/93/01/953309301.db2.gz OWIIGAWSEQNZQD-CHWSQXEVSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)CC(C)(C)C1 ZINC001571250242 953309305 /nfs/dbraw/zinc/30/93/05/953309305.db2.gz OWIIGAWSEQNZQD-CHWSQXEVSA-N -1 1 384.488 1.814 20 0 GDADMM CC1CC(C(=O)NC[C@H]2CCC(C)(C)CN2c2nccnc2-c2nnn[n-]2)C1 ZINC001571251016 953314282 /nfs/dbraw/zinc/31/42/82/953314282.db2.gz VCHOEEYSTVELHE-JXQTWKCFSA-N -1 1 384.488 1.814 20 0 GDADMM CC1CC(C(=O)NC[C@H]2CCC(C)(C)CN2c2nccnc2-c2nn[n-]n2)C1 ZINC001571251016 953314287 /nfs/dbraw/zinc/31/42/87/953314287.db2.gz VCHOEEYSTVELHE-JXQTWKCFSA-N -1 1 384.488 1.814 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCN(C(=O)[C@H]3CCCC3(C)C)CC2)n1 ZINC001571251870 953320575 /nfs/dbraw/zinc/32/05/75/953320575.db2.gz BSOVBCFMDYBKBL-CYBMUJFWSA-N -1 1 384.488 1.694 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCN(C(=O)[C@H]3CCCC3(C)C)CC2)n1 ZINC001571251870 953320579 /nfs/dbraw/zinc/32/05/79/953320579.db2.gz BSOVBCFMDYBKBL-CYBMUJFWSA-N -1 1 384.488 1.694 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@H]2CCCN(C(=O)C3CC(C)(C)C3)C2)n1 ZINC001571251969 953321980 /nfs/dbraw/zinc/32/19/80/953321980.db2.gz DBLGCDKSPLFCMH-AWEZNQCLSA-N -1 1 384.488 1.829 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@H]2CCCN(C(=O)C3CC(C)(C)C3)C2)n1 ZINC001571251969 953321983 /nfs/dbraw/zinc/32/19/83/953321983.db2.gz DBLGCDKSPLFCMH-AWEZNQCLSA-N -1 1 384.488 1.829 20 0 GDADMM CC[C@@H]1C[C@H]1C(=O)NC[C@H]1CCC(C)(C)CN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571252465 953328466 /nfs/dbraw/zinc/32/84/66/953328466.db2.gz NIHJECLNEFIIBI-MGPQQGTHSA-N -1 1 384.488 1.814 20 0 GDADMM CN(C[C@H]1CCCN(C(=O)CCC2CCC2)C1)c1nccnc1-c1nnn[n-]1 ZINC001571252587 953330805 /nfs/dbraw/zinc/33/08/05/953330805.db2.gz QNAUWFFQZPXPAF-OAHLLOKOSA-N -1 1 384.488 1.912 20 0 GDADMM CN(C[C@H]1CCCN(C(=O)CCC2CCC2)C1)c1nccnc1-c1nn[n-]n1 ZINC001571252587 953330808 /nfs/dbraw/zinc/33/08/08/953330808.db2.gz QNAUWFFQZPXPAF-OAHLLOKOSA-N -1 1 384.488 1.912 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](CNC(=O)[C@@H]3C[C@H]3CC(C)C)C2)n1 ZINC001571252696 953331569 /nfs/dbraw/zinc/33/15/69/953331569.db2.gz UGCCPCRJVLBFTM-RRFJBIMHSA-N -1 1 384.488 1.590 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](CNC(=O)[C@@H]3C[C@H]3CC(C)C)C2)n1 ZINC001571252696 953331574 /nfs/dbraw/zinc/33/15/74/953331574.db2.gz UGCCPCRJVLBFTM-RRFJBIMHSA-N -1 1 384.488 1.590 20 0 GDADMM CCN(CC1CCN(C(=O)[C@H]2CC2(C)C)CC1)c1nccnc1-c1nnn[n-]1 ZINC001571252655 953332286 /nfs/dbraw/zinc/33/22/86/953332286.db2.gz SOLLFKORSRRWAR-CQSZACIVSA-N -1 1 384.488 1.768 20 0 GDADMM CCN(CC1CCN(C(=O)[C@H]2CC2(C)C)CC1)c1nccnc1-c1nn[n-]n1 ZINC001571252655 953332291 /nfs/dbraw/zinc/33/22/91/953332291.db2.gz SOLLFKORSRRWAR-CQSZACIVSA-N -1 1 384.488 1.768 20 0 GDADMM O=C(Cc1cccc(Cl)c1)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571255134 953346154 /nfs/dbraw/zinc/34/61/54/953346154.db2.gz IWXAWRCTBQYHAS-CYBMUJFWSA-N -1 1 384.831 1.566 20 0 GDADMM O=C(Cc1cccc(Cl)c1)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571255134 953346160 /nfs/dbraw/zinc/34/61/60/953346160.db2.gz IWXAWRCTBQYHAS-CYBMUJFWSA-N -1 1 384.831 1.566 20 0 GDADMM C[C@H]1CN(C(=O)c2[nH]nc3c2CN(C(=O)OC(C)(C)C)CC3)CC[C@H]1C(=O)[O-] ZINC001589391503 954326767 /nfs/dbraw/zinc/32/67/67/954326767.db2.gz CBCWETHJXUPFAB-NWDGAFQWSA-N -1 1 392.456 1.886 20 0 GDADMM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(C[C@@H]2COCCO2)C(F)(F)F)n1 ZINC000663140016 954530234 /nfs/dbraw/zinc/53/02/34/954530234.db2.gz VUODTLMJMWWYRB-NXEZZACHSA-N -1 1 379.335 1.625 20 0 GDADMM O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1Cc1nccn1CC(F)F ZINC001594896846 954573929 /nfs/dbraw/zinc/57/39/29/954573929.db2.gz TUDPPZQVFKZGAZ-GZMMTYOYSA-N -1 1 384.305 1.244 20 0 GDADMM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C[C@H]3CN(c4ccccc4)C(=O)O3)CC2)C1 ZINC001594898960 954600084 /nfs/dbraw/zinc/60/00/84/954600084.db2.gz WITWKRWLEMSKHQ-PBHICJAKSA-N -1 1 387.436 1.409 20 0 GDADMM CN1CCC[C@@H](CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])[C@H]1c1cccs1 ZINC001593779022 954622955 /nfs/dbraw/zinc/62/29/55/954622955.db2.gz HIJRTAXOAUPRPZ-YDHLFZDLSA-N -1 1 387.527 1.514 20 0 GDADMM O=C([O-])C1CC2(C1)CC[C@H](CNC(=O)N1CCC[C@@H](CN3CCOCC3)C1)O2 ZINC001594904809 954665279 /nfs/dbraw/zinc/66/52/79/954665279.db2.gz HGUZLCRQOCFCHE-RPTYLJJZSA-N -1 1 395.500 1.153 20 0 GDADMM CN1CCN(C[C@@H](NC(=O)Nc2cccnc2C(=O)[O-])c2ccccc2)CC1 ZINC001593785060 954692932 /nfs/dbraw/zinc/69/29/32/954692932.db2.gz JPPFDOLAFGHLJV-QGZVFWFLSA-N -1 1 383.452 1.890 20 0 GDADMM CN1CCN(c2ccc(CCNC(=O)[C@@H]3CO[C@@H](CCC(=O)[O-])C3)cc2)CC1 ZINC001593787161 954717882 /nfs/dbraw/zinc/71/78/82/954717882.db2.gz RMEHZUSIMUBDAU-HKUYNNGSSA-N -1 1 389.496 1.367 20 0 GDADMM COC(=O)[C@@H](C)Oc1ccccc1CN[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001593805656 954900489 /nfs/dbraw/zinc/90/04/89/954900489.db2.gz PVOABBMIJUPBLJ-UKRRQHHQSA-N -1 1 378.425 1.182 20 0 GDADMM O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1CCC(=O)Nc1ccccc1 ZINC000852735114 955844189 /nfs/dbraw/zinc/84/41/89/955844189.db2.gz GAUCPAXYHJNERZ-TZMCWYRMSA-N -1 1 387.358 1.611 20 0 GDADMM COc1ccc(F)cc1C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000852957676 955887782 /nfs/dbraw/zinc/88/77/82/955887782.db2.gz RIOCKTHMBVYWPQ-PWSUYJOCSA-N -1 1 392.305 1.571 20 0 GDADMM Cc1cc2c[nH]nc2c(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])c1 ZINC000852958410 955892598 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ZINC000274646308 532222420 /nfs/dbraw/zinc/22/24/20/532222420.db2.gz CKQKLPOIOFBKFB-OAHLLOKOSA-N -1 1 377.434 1.783 20 0 GDADMM CCOC(=O)[C@H]([N-]S(=O)(=O)C[C@@H]1CCCO1)c1ccc(OC)c(F)c1 ZINC000274706944 532226765 /nfs/dbraw/zinc/22/67/65/532226765.db2.gz XYXLULASVRTQOG-SWLSCSKDSA-N -1 1 375.418 1.537 20 0 GDADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCS(=O)(=O)[C@@H]2COCC[C@H]21 ZINC000333705261 532245763 /nfs/dbraw/zinc/24/57/63/532245763.db2.gz FNDMPGGIGPRRAB-DGCLKSJQSA-N -1 1 379.356 1.439 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CC[S@@]1=O ZINC000430333353 532246956 /nfs/dbraw/zinc/24/69/56/532246956.db2.gz AECZZSROCCSWMW-BGJPBQGDSA-N -1 1 376.500 1.340 20 0 GDADMM CCC[C@H](NS(=O)(=O)c1sc(C(=O)OC)c(C)c1C(=O)OC)C(=O)[O-] ZINC000274992852 532250766 /nfs/dbraw/zinc/25/07/66/532250766.db2.gz ZLQHCSQQHTYNHB-QMMMGPOBSA-N -1 1 393.439 1.161 20 0 GDADMM C[C@H]1Cc2cc(S(=O)(=O)N[C@@H](Cc3cnc[nH]3)C(=O)[O-])cc(Cl)c2O1 ZINC000274988009 532250806 /nfs/dbraw/zinc/25/08/06/532250806.db2.gz YRYUUQMWJIXHPI-SDBXPKJASA-N -1 1 385.829 1.361 20 0 GDADMM O=C([O-])[C@@H](CN1CCCCC1)NS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000275033820 532255413 /nfs/dbraw/zinc/25/54/13/532255413.db2.gz UNFWWMFISMYNNV-CYBMUJFWSA-N -1 1 380.388 1.923 20 0 GDADMM O=C([O-])[C@H](CN1CCCCC1)NS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000275056094 532259100 /nfs/dbraw/zinc/25/91/00/532259100.db2.gz YBTOMPIFRCKWTD-NSHDSACASA-N -1 1 386.861 1.205 20 0 GDADMM Cc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCC=C(F)C2)c1 ZINC000348353480 532266231 /nfs/dbraw/zinc/26/62/31/532266231.db2.gz RHPPAXKSARDIAE-UHFFFAOYSA-N -1 1 377.463 1.411 20 0 GDADMM Cc1nc(S(=O)(=O)[N-]C[C@H](O)c2cccc(F)c2)c(Br)n1C ZINC000288152933 532268304 /nfs/dbraw/zinc/26/83/04/532268304.db2.gz NVOJCGNLTXCMST-NSHDSACASA-N -1 1 392.250 1.642 20 0 GDADMM COC(=O)Cn1cc(S(=O)(=O)[N-]c2cc3c(cc2Cl)CCC3=O)cn1 ZINC000432080059 532277538 /nfs/dbraw/zinc/27/75/38/532277538.db2.gz VHMCUQMQQOOXGZ-UHFFFAOYSA-N -1 1 383.813 1.639 20 0 GDADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H]2COC)c(OC)c1 ZINC000432276723 532282146 /nfs/dbraw/zinc/28/21/46/532282146.db2.gz ZPZNKUGLAGNLIG-CYBMUJFWSA-N -1 1 392.499 1.256 20 0 GDADMM CC[C@H]1[C@@H](C)CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(C)n1 ZINC000349452124 532286850 /nfs/dbraw/zinc/28/68/50/532286850.db2.gz CVSMKXFKTZLRMS-ZFWWWQNUSA-N -1 1 389.543 1.972 20 0 GDADMM COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@@]2(C)CCO[C@@H]2C2CC2)c1F ZINC000378654508 532294492 /nfs/dbraw/zinc/29/44/92/532294492.db2.gz VYQXENONYDEDBV-ZBFHGGJFSA-N -1 1 375.393 1.987 20 0 GDADMM O=C([O-])CNS(=O)(=O)c1scc(Br)c1Br ZINC000380098334 532295080 /nfs/dbraw/zinc/29/50/80/532295080.db2.gz KYVNQKREGKJFIW-UHFFFAOYSA-N -1 1 379.051 1.636 20 0 GDADMM Cc1ccc(Br)cc1S(=O)(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000386796542 532295464 /nfs/dbraw/zinc/29/54/64/532295464.db2.gz MXFUCYLVXOVOFB-LLVKDONJSA-N -1 1 388.243 1.455 20 0 GDADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1CCCN(C2CCCCC2)C1=O ZINC000276230449 532324049 /nfs/dbraw/zinc/32/40/49/532324049.db2.gz SEWHBQPISJXGPI-CYBMUJFWSA-N -1 1 388.921 1.984 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)C[N@H+](C)C(C)C)c(Br)o1 ZINC000289597834 532329113 /nfs/dbraw/zinc/32/91/13/532329113.db2.gz QEQXELLHWKQTLI-SECBINFHSA-N -1 1 397.291 1.836 20 0 GDADMM CN(C)S(=O)(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000289984574 532334984 /nfs/dbraw/zinc/33/49/84/532334984.db2.gz RZRJDZJMYSEILG-UHFFFAOYSA-N -1 1 394.824 1.529 20 0 GDADMM CC(C)[C@@H](CNS(=O)(=O)c1cccc(Cl)c1[O-])N1CCN(C)CC1 ZINC000632032385 450590435 /nfs/dbraw/zinc/59/04/35/450590435.db2.gz WFVKGCSXBBTBKP-CQSZACIVSA-N -1 1 375.922 1.596 20 0 GDADMM CO[C@H](CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1)C(F)(F)F ZINC000736961712 598823118 /nfs/dbraw/zinc/82/31/18/598823118.db2.gz LLUXEDLFLWCXBF-SECBINFHSA-N -1 1 384.318 1.866 20 0 GDADMM CO[C@H](CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1)C(F)(F)F ZINC000736961712 598823119 /nfs/dbraw/zinc/82/31/19/598823119.db2.gz LLUXEDLFLWCXBF-SECBINFHSA-N -1 1 384.318 1.866 20 0 GDADMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[nH]n3)c2)cc1 ZINC000736929912 598824537 /nfs/dbraw/zinc/82/45/37/598824537.db2.gz AXRUMALNCTZGSQ-UHFFFAOYSA-N -1 1 391.384 1.522 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000737200238 598868933 /nfs/dbraw/zinc/86/89/33/598868933.db2.gz KOEZHUIEKMLSCL-UHFFFAOYSA-N -1 1 393.407 1.650 20 0 GDADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1cnn(-c2ccncc2)c1 ZINC000737301650 598931597 /nfs/dbraw/zinc/93/15/97/598931597.db2.gz PNZFBCNCBLEIPA-UHFFFAOYSA-N -1 1 382.409 1.557 20 0 GDADMM Cc1cc(=O)oc2cc(OCCn3nc(C)c(C)c(-c4nn[n-]n4)c3=O)ccc12 ZINC000737518189 598939009 /nfs/dbraw/zinc/93/90/09/598939009.db2.gz REERYHLJROSXDC-UHFFFAOYSA-N -1 1 394.391 1.534 20 0 GDADMM O[C@@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)COc1cccc(F)c1 ZINC000738383760 598960737 /nfs/dbraw/zinc/96/07/37/598960737.db2.gz QAFOCNAHZZNOIZ-LBPRGKRZSA-N -1 1 381.371 1.801 20 0 GDADMM O[C@@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)COc1cccc(F)c1 ZINC000738383760 598960739 /nfs/dbraw/zinc/96/07/39/598960739.db2.gz QAFOCNAHZZNOIZ-LBPRGKRZSA-N -1 1 381.371 1.801 20 0 GDADMM Cc1ccc(N2CCCN(c3c4ccccc4nnc3-c3nnn[n-]3)CC2)nn1 ZINC000737353360 598967209 /nfs/dbraw/zinc/96/72/09/598967209.db2.gz VULYEZPZAIRYBZ-UHFFFAOYSA-N -1 1 388.439 1.625 20 0 GDADMM Cc1ccc(N2CCCN(c3c4ccccc4nnc3-c3nn[n-]n3)CC2)nn1 ZINC000737353360 598967210 /nfs/dbraw/zinc/96/72/10/598967210.db2.gz VULYEZPZAIRYBZ-UHFFFAOYSA-N -1 1 388.439 1.625 20 0 GDADMM FC(F)(F)c1nnc2n1CCN(c1c3ccccc3nnc1-c1nnn[n-]1)C2 ZINC000737638617 598970957 /nfs/dbraw/zinc/97/09/57/598970957.db2.gz GUVONVLTEMPWFX-UHFFFAOYSA-N -1 1 388.317 1.440 20 0 GDADMM FC(F)(F)c1nnc2n1CCN(c1c3ccccc3nnc1-c1nn[n-]n1)C2 ZINC000737638617 598970959 /nfs/dbraw/zinc/97/09/59/598970959.db2.gz GUVONVLTEMPWFX-UHFFFAOYSA-N -1 1 388.317 1.440 20 0 GDADMM CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736511904 598981749 /nfs/dbraw/zinc/98/17/49/598981749.db2.gz VJEXLTIETPOULT-UHFFFAOYSA-N -1 1 383.387 1.179 20 0 GDADMM CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736511904 598981751 /nfs/dbraw/zinc/98/17/51/598981751.db2.gz VJEXLTIETPOULT-UHFFFAOYSA-N -1 1 383.387 1.179 20 0 GDADMM O=C(NCCc1cc(Cl)c2c(c1)OCCO2)c1ccc(-c2nnn[n-]2)nc1 ZINC000738089410 598986800 /nfs/dbraw/zinc/98/68/00/598986800.db2.gz VCUHHZFCYAQLOZ-UHFFFAOYSA-N -1 1 386.799 1.659 20 0 GDADMM O=C(NCCc1cc(Cl)c2c(c1)OCCO2)c1ccc(-c2nn[n-]n2)nc1 ZINC000738089410 598986802 /nfs/dbraw/zinc/98/68/02/598986802.db2.gz VCUHHZFCYAQLOZ-UHFFFAOYSA-N -1 1 386.799 1.659 20 0 GDADMM Cn1ccnc1COc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737614993 598994752 /nfs/dbraw/zinc/99/47/52/598994752.db2.gz DDPFEIDXRFUMGU-UHFFFAOYSA-N -1 1 376.380 1.827 20 0 GDADMM Cn1ccnc1COc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737614993 598994753 /nfs/dbraw/zinc/99/47/53/598994753.db2.gz DDPFEIDXRFUMGU-UHFFFAOYSA-N -1 1 376.380 1.827 20 0 GDADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc(N2CCCC2=O)c1 ZINC000736117279 598998313 /nfs/dbraw/zinc/99/83/13/598998313.db2.gz FNHQYLFAWQBEIS-GFCCVEGCSA-N -1 1 377.408 1.880 20 0 GDADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc(N2CCCC2=O)c1 ZINC000736117279 598998315 /nfs/dbraw/zinc/99/83/15/598998315.db2.gz FNHQYLFAWQBEIS-GFCCVEGCSA-N -1 1 377.408 1.880 20 0 GDADMM COCCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737002020 599006052 /nfs/dbraw/zinc/00/60/52/599006052.db2.gz JSCFYFLBYGHCKV-UHFFFAOYSA-N -1 1 382.380 1.279 20 0 GDADMM COCCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737002020 599006053 /nfs/dbraw/zinc/00/60/53/599006053.db2.gz JSCFYFLBYGHCKV-UHFFFAOYSA-N -1 1 382.380 1.279 20 0 GDADMM COC1CCC(N(C)C(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)CC1 ZINC000736964160 599009157 /nfs/dbraw/zinc/00/91/57/599009157.db2.gz ZYMGRWRRNFOWBD-UHFFFAOYSA-N -1 1 388.472 1.933 20 0 GDADMM CN(Cc1ccco1)C(=O)[C@@H]1CSCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736828581 599027406 /nfs/dbraw/zinc/02/74/06/599027406.db2.gz OFYCIZGWUTVRRY-AWEZNQCLSA-N -1 1 399.436 1.028 20 0 GDADMM CN(Cc1ccco1)C(=O)[C@@H]1CSCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736828581 599027408 /nfs/dbraw/zinc/02/74/08/599027408.db2.gz OFYCIZGWUTVRRY-AWEZNQCLSA-N -1 1 399.436 1.028 20 0 GDADMM COC(=O)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)Cc1cccc(C)c1 ZINC000736892893 599029804 /nfs/dbraw/zinc/02/98/04/599029804.db2.gz POWGDAOOEUSALH-OAHLLOKOSA-N -1 1 380.408 1.332 20 0 GDADMM COC(=O)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)Cc1cccc(C)c1 ZINC000736892893 599029806 /nfs/dbraw/zinc/02/98/06/599029806.db2.gz POWGDAOOEUSALH-OAHLLOKOSA-N -1 1 380.408 1.332 20 0 GDADMM CCO[C@H](C)c1noc(CN(C)c2c3ccccc3nnc2-c2nnn[n-]2)n1 ZINC000821346315 599072061 /nfs/dbraw/zinc/07/20/61/599072061.db2.gz GRAKIZCZZUXTJI-SNVBAGLBSA-N -1 1 381.400 1.927 20 0 GDADMM CCO[C@H](C)c1noc(CN(C)c2c3ccccc3nnc2-c2nn[n-]n2)n1 ZINC000821346315 599072063 /nfs/dbraw/zinc/07/20/63/599072063.db2.gz GRAKIZCZZUXTJI-SNVBAGLBSA-N -1 1 381.400 1.927 20 0 GDADMM COC[C@H](NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C)C(C)C ZINC000736976084 599089484 /nfs/dbraw/zinc/08/94/84/599089484.db2.gz CPRRHJSACNDCCB-HNNXBMFYSA-N -1 1 386.460 1.246 20 0 GDADMM COC[C@H](NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C)C(C)C ZINC000736976084 599089487 /nfs/dbraw/zinc/08/94/87/599089487.db2.gz CPRRHJSACNDCCB-HNNXBMFYSA-N -1 1 386.460 1.246 20 0 GDADMM NC(=O)[C@@H]([NH2+]CCNC(=O)CC1CCCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737734806 599096832 /nfs/dbraw/zinc/09/68/32/599096832.db2.gz BLMOFBXJXMWAQT-KRWDZBQOSA-N -1 1 385.472 1.069 20 0 GDADMM CCCCn1c(-c2ccc(-c3nn[n-]n3)o2)nc2c1c(=O)[nH]c(=O)n2CCC ZINC000821083332 599155185 /nfs/dbraw/zinc/15/51/85/599155185.db2.gz XYZAPUBDEWHNDW-UHFFFAOYSA-N -1 1 384.400 1.949 20 0 GDADMM Cc1nc(C)c(-c2nn[n-]n2)c(S[C@H]2CCCN(c3cnn(C)c3)C2=O)n1 ZINC000737471498 599162186 /nfs/dbraw/zinc/16/21/86/599162186.db2.gz RSFYSZQOFKCRJU-LBPRGKRZSA-N -1 1 385.457 1.295 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@H](C)[C@@H]1CCOC1 ZINC000737488861 599208991 /nfs/dbraw/zinc/20/89/91/599208991.db2.gz YTGBYNMZEARLDC-ZWNOBZJWSA-N -1 1 384.444 1.000 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@H](C)[C@@H]1CCOC1 ZINC000737488861 599208994 /nfs/dbraw/zinc/20/89/94/599208994.db2.gz YTGBYNMZEARLDC-ZWNOBZJWSA-N -1 1 384.444 1.000 20 0 GDADMM CN(C)c1cccc(CN(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000821591156 607259680 /nfs/dbraw/zinc/25/96/80/607259680.db2.gz YQUQNZSZRCSTHZ-UHFFFAOYSA-N -1 1 390.444 1.893 20 0 GDADMM Cc1cc(NC(=O)CN2CCC[C@H](CC(=O)[O-])C2)n(-c2nc(C)cc(C)n2)n1 ZINC000533202672 597080650 /nfs/dbraw/zinc/08/06/50/597080650.db2.gz QPVWPDACWKNOLM-OAHLLOKOSA-N -1 1 386.456 1.713 20 0 GDADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1cccc([S@@](C)=O)c1 ZINC000737301923 599262536 /nfs/dbraw/zinc/26/25/36/599262536.db2.gz WXXIMDIPIFCZLJ-XMMPIXPASA-N -1 1 377.451 1.713 20 0 GDADMM O=C(c1cccc(NCc2ccc(-c3nnn[n-]3)o2)c1)N1CCC[C@H](CO)C1 ZINC000823493797 607315577 /nfs/dbraw/zinc/31/55/77/607315577.db2.gz WCBQHKPSBLRION-ZDUSSCGKSA-N -1 1 382.424 1.916 20 0 GDADMM O=C(c1cccc(NCc2ccc(-c3nn[n-]n3)o2)c1)N1CCC[C@H](CO)C1 ZINC000823493797 607315578 /nfs/dbraw/zinc/31/55/78/607315578.db2.gz WCBQHKPSBLRION-ZDUSSCGKSA-N -1 1 382.424 1.916 20 0 GDADMM Cn1ccnc1[C@H](O)[C@@H]1CCCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000822699023 607305711 /nfs/dbraw/zinc/30/57/11/607305711.db2.gz LTLVUSUDUKQYSU-PSASIEDQSA-N -1 1 380.865 1.660 20 0 GDADMM Cn1ccnc1[C@H](O)[C@@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000822699023 607305712 /nfs/dbraw/zinc/30/57/12/607305712.db2.gz LTLVUSUDUKQYSU-PSASIEDQSA-N -1 1 380.865 1.660 20 0 GDADMM O=S(=O)(NCCNc1cc(-c2nnn[n-]2)nc2ccccc21)c1ccccc1 ZINC000738338736 599268194 /nfs/dbraw/zinc/26/81/94/599268194.db2.gz LYLVOFVBGHCHRI-UHFFFAOYSA-N -1 1 395.448 1.805 20 0 GDADMM O=S(=O)(NCCNc1cc(-c2nn[n-]n2)nc2ccccc21)c1ccccc1 ZINC000738338736 599268196 /nfs/dbraw/zinc/26/81/96/599268196.db2.gz LYLVOFVBGHCHRI-UHFFFAOYSA-N -1 1 395.448 1.805 20 0 GDADMM CC(=O)NCCN(Cc1cnc2ccc(Br)cn12)[C@H](C)C(=O)[O-] ZINC000819781296 597704958 /nfs/dbraw/zinc/70/49/58/597704958.db2.gz TVHGTLCBQCBGIM-SNVBAGLBSA-N -1 1 383.246 1.508 20 0 GDADMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000820539332 598181870 /nfs/dbraw/zinc/18/18/70/598181870.db2.gz MEKDOBRLKQPZDH-UHFFFAOYSA-N -1 1 376.303 1.019 20 0 GDADMM CC[C@H](C)[C@H](NCC(=O)N1CCC(NC(=O)c2ccccc2)CC1)C(=O)[O-] ZINC000820459572 598187659 /nfs/dbraw/zinc/18/76/59/598187659.db2.gz FPWLMMACQOCOBS-KSSFIOAISA-N -1 1 375.469 1.496 20 0 GDADMM CCC(CC)CNC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000736342984 598256997 /nfs/dbraw/zinc/25/69/97/598256997.db2.gz VJBBMLMEXMGVHS-UHFFFAOYSA-N -1 1 388.476 2.000 20 0 GDADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN(C)c3ccc(C)cc3)CC2)o1 ZINC000737347898 598258711 /nfs/dbraw/zinc/25/87/11/598258711.db2.gz TWNAEXNHDMPVLZ-UHFFFAOYSA-N -1 1 396.455 1.257 20 0 GDADMM COc1cc(C(C)=O)ccc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737042191 598259356 /nfs/dbraw/zinc/25/93/56/598259356.db2.gz OHXBBZLNPYHSAU-UHFFFAOYSA-N -1 1 375.366 1.241 20 0 GDADMM COc1cc(C(C)=O)ccc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737042191 598259359 /nfs/dbraw/zinc/25/93/59/598259359.db2.gz OHXBBZLNPYHSAU-UHFFFAOYSA-N -1 1 375.366 1.241 20 0 GDADMM Cc1ccc(CSCCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737343700 598261081 /nfs/dbraw/zinc/26/10/81/598261081.db2.gz TXXKDBXQGYRLFI-UHFFFAOYSA-N -1 1 390.494 1.782 20 0 GDADMM Cc1ccc(CSCCNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737343700 598261083 /nfs/dbraw/zinc/26/10/83/598261083.db2.gz TXXKDBXQGYRLFI-UHFFFAOYSA-N -1 1 390.494 1.782 20 0 GDADMM O=S(=O)(NCCCOc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738339711 598271304 /nfs/dbraw/zinc/27/13/04/598271304.db2.gz UZJPUTDDQDBLFN-UHFFFAOYSA-N -1 1 378.389 1.148 20 0 GDADMM O=S(=O)(NCCCOc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738339711 598271306 /nfs/dbraw/zinc/27/13/06/598271306.db2.gz UZJPUTDDQDBLFN-UHFFFAOYSA-N -1 1 378.389 1.148 20 0 GDADMM Cc1nnc2n1CCN(C(=O)c1c(C)oc(-n3cccc3)c1-c1nnn[n-]1)C2 ZINC000737549691 598345762 /nfs/dbraw/zinc/34/57/62/598345762.db2.gz XEWHYGPZSCKDAH-UHFFFAOYSA-N -1 1 379.384 1.115 20 0 GDADMM Cc1nnc2n1CCN(C(=O)c1c(C)oc(-n3cccc3)c1-c1nn[n-]n1)C2 ZINC000737549691 598345763 /nfs/dbraw/zinc/34/57/63/598345763.db2.gz XEWHYGPZSCKDAH-UHFFFAOYSA-N -1 1 379.384 1.115 20 0 GDADMM CC(C)c1nnc(CN2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)o1 ZINC000735953250 598376793 /nfs/dbraw/zinc/37/67/93/598376793.db2.gz QVNFNDPLIWBQKS-UHFFFAOYSA-N -1 1 385.432 1.561 20 0 GDADMM CCn1nc(C)c(C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)c1C ZINC000736727148 598410987 /nfs/dbraw/zinc/41/09/87/598410987.db2.gz BWIMNGKGTKFEAN-UHFFFAOYSA-N -1 1 387.400 1.705 20 0 GDADMM CCCO[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000736487367 598510582 /nfs/dbraw/zinc/51/05/82/598510582.db2.gz GJQJGVKFLNIWBD-GFCCVEGCSA-N -1 1 383.449 1.976 20 0 GDADMM CCOC(=O)c1c(C)csc1NC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC000736602173 598569001 /nfs/dbraw/zinc/56/90/01/598569001.db2.gz FCWRGXCXHLEMAH-MRVPVSSYSA-N -1 1 376.402 1.205 20 0 GDADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(F)c(-c4nn[nH]n4)c3)cc2o1 ZINC000738372877 598594622 /nfs/dbraw/zinc/59/46/22/598594622.db2.gz XLAFIOCQSHCOQF-UHFFFAOYSA-N -1 1 376.329 1.653 20 0 GDADMM C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000820333785 607360855 /nfs/dbraw/zinc/36/08/55/607360855.db2.gz GIMWRTADWYMRPQ-JVXZTZIISA-N -1 1 397.226 1.003 20 0 GDADMM CCc1nn(Cc2cnn(-c3ccccc3)n2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736707035 598643981 /nfs/dbraw/zinc/64/39/81/598643981.db2.gz OWFYPRCYRYGOND-UHFFFAOYSA-N -1 1 377.412 1.177 20 0 GDADMM COc1cccc(CN(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737131580 598687281 /nfs/dbraw/zinc/68/72/81/598687281.db2.gz RKCZXQQGKMNJQO-UHFFFAOYSA-N -1 1 377.401 1.835 20 0 GDADMM CN(CCOc1ccc(F)cc1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736801989 598688349 /nfs/dbraw/zinc/68/83/49/598688349.db2.gz NSYJYMZFRMSSRW-UHFFFAOYSA-N -1 1 395.391 1.844 20 0 GDADMM O=S(=O)(Oc1ccc2c(c1)OCCO2)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738340547 598688996 /nfs/dbraw/zinc/68/89/96/598688996.db2.gz YMNPTGZDOIRBTN-UHFFFAOYSA-N -1 1 378.341 1.545 20 0 GDADMM CCCN(CCC)C(=O)c1cccc(C(=O)n2ncc(-c3nn[n-]n3)c2N)c1 ZINC000736473237 598699950 /nfs/dbraw/zinc/69/99/50/598699950.db2.gz LBJPBCIUKOZPPI-UHFFFAOYSA-N -1 1 382.428 1.596 20 0 GDADMM Cc1ncc(NC(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)cn1 ZINC000737502407 598718651 /nfs/dbraw/zinc/71/86/51/598718651.db2.gz VTPIUMZIKAVQGW-UHFFFAOYSA-N -1 1 396.415 1.185 20 0 GDADMM O=c1cc(Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)nc2sccn21 ZINC000738372730 598720540 /nfs/dbraw/zinc/72/05/40/598720540.db2.gz TZQBYPNPSBXFPF-UHFFFAOYSA-N -1 1 377.389 1.299 20 0 GDADMM Cc1nn(C[C@@H](O)c2ccc(Br)cc2)c(=O)c(-c2nn[n-]n2)c1C ZINC000737513630 598769342 /nfs/dbraw/zinc/76/93/42/598769342.db2.gz QRHMIVCQVYNMFP-GFCCVEGCSA-N -1 1 391.229 1.536 20 0 GDADMM Cc1ccccc1[C@@H](CC(C)C)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000737424818 598774681 /nfs/dbraw/zinc/77/46/81/598774681.db2.gz XSCYIPSWVRSIIB-CQSZACIVSA-N -1 1 383.456 1.772 20 0 GDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737487316 598808569 /nfs/dbraw/zinc/80/85/69/598808569.db2.gz HOHKJHXAVFGNTM-UHFFFAOYSA-N -1 1 378.396 1.091 20 0 GDADMM C[C@@H]1C[C@@H]1c1ccc(CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C2CC2)o1 ZINC000736237842 598814339 /nfs/dbraw/zinc/81/43/39/598814339.db2.gz QFEMTIRFLZALPQ-MFKMUULPSA-N -1 1 397.439 1.150 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCC1(O)CCCCCC1 ZINC000737201455 599346697 /nfs/dbraw/zinc/34/66/97/599346697.db2.gz SIZQOPLBXOQTSU-UHFFFAOYSA-N -1 1 388.472 1.718 20 0 GDADMM O=S(=O)([N-]Cc1cc(-c2nn[nH]n2)ccc1F)c1cc(F)c(F)cc1F ZINC000823578641 599366474 /nfs/dbraw/zinc/36/64/74/599366474.db2.gz QXPWSADVEFOODM-UHFFFAOYSA-N -1 1 387.318 1.902 20 0 GDADMM CC(C)N1C(=O)CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1(C)C ZINC000820126927 599369001 /nfs/dbraw/zinc/36/90/01/599369001.db2.gz FMFXRWDORPKTSF-UHFFFAOYSA-N -1 1 396.448 1.026 20 0 GDADMM CC(C)N1C(=O)CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1(C)C ZINC000820126927 599369003 /nfs/dbraw/zinc/36/90/03/599369003.db2.gz FMFXRWDORPKTSF-UHFFFAOYSA-N -1 1 396.448 1.026 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCC(C(F)(F)F)CC1 ZINC000823599997 599373284 /nfs/dbraw/zinc/37/32/84/599373284.db2.gz BMFYVKQWGJMKAD-UHFFFAOYSA-N -1 1 379.339 1.969 20 0 GDADMM O=C(CN1CCN(c2cccc(-c3nnn[n-]3)n2)CC1)Nc1cccc(F)c1 ZINC000737883302 599397219 /nfs/dbraw/zinc/39/72/19/599397219.db2.gz PJZSEMZKSNRDTI-UHFFFAOYSA-N -1 1 382.403 1.162 20 0 GDADMM O=C(CN1CCN(c2cccc(-c3nn[n-]n3)n2)CC1)Nc1cccc(F)c1 ZINC000737883302 599397223 /nfs/dbraw/zinc/39/72/23/599397223.db2.gz PJZSEMZKSNRDTI-UHFFFAOYSA-N -1 1 382.403 1.162 20 0 GDADMM CN(Cc1ccccc1)C(=O)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000736829040 599418602 /nfs/dbraw/zinc/41/86/02/599418602.db2.gz VMELVIAUKSIZJE-UHFFFAOYSA-N -1 1 378.440 1.636 20 0 GDADMM CN(Cc1ccccc1)C(=O)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000736829040 599418605 /nfs/dbraw/zinc/41/86/05/599418605.db2.gz VMELVIAUKSIZJE-UHFFFAOYSA-N -1 1 378.440 1.636 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)NC[C@](C)(O)C(C)C)c1-c1nn[n-]n1 ZINC000821990107 599498053 /nfs/dbraw/zinc/49/80/53/599498053.db2.gz PWEWVGWEWSEMQK-KRWDZBQOSA-N -1 1 376.486 1.998 20 0 GDADMM O=C(N[C@H]1CC=CCC1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000738018958 599507195 /nfs/dbraw/zinc/50/71/95/599507195.db2.gz GSCFGBYEUBUJJE-ZDUSSCGKSA-N -1 1 384.444 1.672 20 0 GDADMM COC(=O)[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821653514 599651676 /nfs/dbraw/zinc/65/16/76/599651676.db2.gz CTNIYAVVWQLEBD-GDBMZVCRSA-N -1 1 384.440 1.846 20 0 GDADMM COC(=O)[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821653514 599651677 /nfs/dbraw/zinc/65/16/77/599651677.db2.gz CTNIYAVVWQLEBD-GDBMZVCRSA-N -1 1 384.440 1.846 20 0 GDADMM Cc1oc(NC(=O)COC(=O)[C@@](C)(O)Cc2ccccc2)c(-c2nn[n-]n2)c1C ZINC000822548388 599663507 /nfs/dbraw/zinc/66/35/07/599663507.db2.gz KGJKWNQARAYMML-IBGZPJMESA-N -1 1 399.407 1.552 20 0 GDADMM C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C[C@H](C(F)(F)F)O1 ZINC000820769281 599683038 /nfs/dbraw/zinc/68/30/38/599683038.db2.gz RXJITDCKFINGHO-GMSGAONNSA-N -1 1 395.338 1.346 20 0 GDADMM C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C[C@H](C(F)(F)F)O1 ZINC000820769281 599683039 /nfs/dbraw/zinc/68/30/39/599683039.db2.gz RXJITDCKFINGHO-GMSGAONNSA-N -1 1 395.338 1.346 20 0 GDADMM NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)c(F)c1 ZINC000822884977 599691709 /nfs/dbraw/zinc/69/17/09/599691709.db2.gz FVUIRLUUBHYRHS-UHFFFAOYSA-N -1 1 380.336 1.045 20 0 GDADMM O=C(c1ccc(F)nc1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000823488658 599696807 /nfs/dbraw/zinc/69/68/07/599696807.db2.gz RMLZLJIIXPWLPF-UHFFFAOYSA-N -1 1 384.375 1.229 20 0 GDADMM Cc1c(C(=O)[O-])sc2[nH]c(CN3CCN([C@H]4CCC[C@H]4O)CC3)nc(=O)c12 ZINC000738289123 599712003 /nfs/dbraw/zinc/71/20/03/599712003.db2.gz DNSXYDKEIPQSKG-NWDGAFQWSA-N -1 1 392.481 1.022 20 0 GDADMM COc1cc(C(=O)[O-])ccc1OC[C@@H](O)CN1CCCN(C(=O)C(C)C)CC1 ZINC000737863585 599788269 /nfs/dbraw/zinc/78/82/69/599788269.db2.gz ORRUNPSPFXQDNJ-INIZCTEOSA-N -1 1 394.468 1.323 20 0 GDADMM COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N(C)CC(=O)[O-])c1 ZINC000427753105 599851724 /nfs/dbraw/zinc/85/17/24/599851724.db2.gz ABOXBUAPIFCQJE-UHFFFAOYSA-N -1 1 392.433 1.961 20 0 GDADMM Cc1nc(CN2CCC[C@@H](N(C)CC(=O)NC3(C(=O)[O-])CCCCC3)C2)no1 ZINC000738858379 599963186 /nfs/dbraw/zinc/96/31/86/599963186.db2.gz QVMNCKWUPCUZHJ-OAHLLOKOSA-N -1 1 393.488 1.178 20 0 GDADMM Cc1nc2c(cnn2C)c(N2CCN([C@H](C(=O)[O-])c3ccc(F)cc3)CC2)n1 ZINC000738864569 599969995 /nfs/dbraw/zinc/96/99/95/599969995.db2.gz MAVIRDUHJTVXLB-INIZCTEOSA-N -1 1 384.415 1.759 20 0 GDADMM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCC[C@@H]1Cn1cccn1 ZINC000739282448 599971504 /nfs/dbraw/zinc/97/15/04/599971504.db2.gz BDSFXHQLLWFJQA-VQIMIIECSA-N -1 1 395.463 1.641 20 0 GDADMM CON(C)C(=O)c1ccc(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])cc1 ZINC000737836928 599989596 /nfs/dbraw/zinc/98/95/96/599989596.db2.gz ZFQVXJCOQVBHBS-UHFFFAOYSA-N -1 1 382.369 1.958 20 0 GDADMM Cc1onc2c1c(C(=O)[O-])nn(CN1CCN(Cc3ccccc3C)CC1)c2=O ZINC000738771985 600032868 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ZINC000739457843 602501407 /nfs/dbraw/zinc/50/14/07/602501407.db2.gz SUXIQMYCPXJRLT-INIZCTEOSA-N -1 1 375.473 1.372 20 0 GDADMM C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737560577 602536888 /nfs/dbraw/zinc/53/68/88/602536888.db2.gz RZZYDLXYKQTMGA-GDBMZVCRSA-N -1 1 391.468 1.748 20 0 GDADMM COc1ccc(CN(C)C(=O)CN2CC[C@@H](CN(C)C(=O)[O-])C2)cc1OC ZINC000739907947 602540303 /nfs/dbraw/zinc/54/03/03/602540303.db2.gz IJBCGZCNEUZGFI-HNNXBMFYSA-N -1 1 379.457 1.594 20 0 GDADMM CCN(CC)[C@@H](C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1)c1ccccc1 ZINC000739408127 602569354 /nfs/dbraw/zinc/56/93/54/602569354.db2.gz UGORWGCNTXKYKT-QGZVFWFLSA-N -1 1 376.457 1.008 20 0 GDADMM COc1ccnc(N2CCN(C(=O)NC[C@H]3CCCN(C(=O)[O-])C3)CC2)c1 ZINC000739986816 602628915 /nfs/dbraw/zinc/62/89/15/602628915.db2.gz YAZAWGKEHWNUHP-CQSZACIVSA-N -1 1 377.445 1.312 20 0 GDADMM COc1ccccc1CCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826219916 607578706 /nfs/dbraw/zinc/57/87/06/607578706.db2.gz 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CNC(=O)c1cccc(OS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000826073089 607585289 /nfs/dbraw/zinc/58/52/89/607585289.db2.gz DIVLQRYUQXKRPZ-UHFFFAOYSA-N -1 1 377.357 1.133 20 0 GDADMM CNC(=O)c1cccc(OS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000826073089 607585290 /nfs/dbraw/zinc/58/52/90/607585290.db2.gz DIVLQRYUQXKRPZ-UHFFFAOYSA-N -1 1 377.357 1.133 20 0 GDADMM C[C@H]1CN(CC(=O)N2CCN(c3ccc(F)cc3)CC2)CC[C@H]1NC(=O)[O-] ZINC000739171790 602781225 /nfs/dbraw/zinc/78/12/25/602781225.db2.gz JIGQDXMUQZYBEN-WMLDXEAASA-N -1 1 378.448 1.452 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000826495118 607589288 /nfs/dbraw/zinc/58/92/88/607589288.db2.gz CYHFALIQSCQPCR-SNVBAGLBSA-N -1 1 377.405 1.297 20 0 GDADMM COc1ccc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c(OC)c1 ZINC000826203357 607592012 /nfs/dbraw/zinc/59/20/12/607592012.db2.gz KQUUKOKBPHJXOD-UHFFFAOYSA-N -1 1 393.400 1.502 20 0 GDADMM C[C@@H]1CN(C(=O)CCn2c(=O)c3ccccc3[nH]c2=S)CCN1C(=O)[O-] ZINC000739122133 602934308 /nfs/dbraw/zinc/93/43/08/602934308.db2.gz DJWLDLYFAPHJCQ-LLVKDONJSA-N -1 1 376.438 1.286 20 0 GDADMM O=C([O-])NC[C@H]1CCCN(C(=O)CCN2CCN(c3ccccn3)CC2)C1 ZINC000740631288 602976896 /nfs/dbraw/zinc/97/68/96/602976896.db2.gz GVUIERVMGHVSBQ-MRXNPFEDSA-N -1 1 375.473 1.100 20 0 GDADMM Cn1c(=O)c2ccc(C(=O)N[C@H]3CCCC[C@H]3CNC(=O)[O-])cc2[nH]c1=S ZINC000740283915 602990116 /nfs/dbraw/zinc/99/01/16/602990116.db2.gz VWQQPLQFJHOHIZ-AAEUAGOBSA-N -1 1 390.465 1.778 20 0 GDADMM C[C@H](CN(C)C(=O)[O-])c1noc(-c2ccc3c(c2)[nH]c(=S)n(C)c3=O)n1 ZINC000738906333 603019800 /nfs/dbraw/zinc/01/98/00/603019800.db2.gz DEGKNPUULHUOMG-MRVPVSSYSA-N -1 1 375.410 1.986 20 0 GDADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1Cc1nc([C@@H](C)CN(C)C(=O)[O-])no1 ZINC000740028195 603024507 /nfs/dbraw/zinc/02/45/07/603024507.db2.gz JEIYYYDFADXWTR-VIFPVBQESA-N -1 1 385.384 1.635 20 0 GDADMM CCS[C@H]1CCCCN(CN2C(=O)NC3(CCN(C(=O)[O-])CC3)C2=O)C1 ZINC000739520761 603051856 /nfs/dbraw/zinc/05/18/56/603051856.db2.gz SLEMXOYKTWXFHG-ZDUSSCGKSA-N -1 1 384.502 1.616 20 0 GDADMM O=C(CCC(=O)N1CCc2sccc2C1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826404932 607603248 /nfs/dbraw/zinc/60/32/48/607603248.db2.gz QIVSFZDIQTTYAG-UHFFFAOYSA-N -1 1 398.448 1.732 20 0 GDADMM O=C(CCC(=O)N1CCc2sccc2C1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826404932 607603249 /nfs/dbraw/zinc/60/32/49/607603249.db2.gz QIVSFZDIQTTYAG-UHFFFAOYSA-N -1 1 398.448 1.732 20 0 GDADMM COC[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000826151428 607604714 /nfs/dbraw/zinc/60/47/14/607604714.db2.gz ARXIJGAHPXCWJA-AWEZNQCLSA-N -1 1 377.401 1.672 20 0 GDADMM COc1ccccc1[C@H](NC(=O)[O-])C(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000829604310 603076092 /nfs/dbraw/zinc/07/60/92/603076092.db2.gz OGHOBSACVSWWLU-KGLIPLIRSA-N -1 1 375.385 1.031 20 0 GDADMM O=C([O-])NC1CCC(NC(=O)NC2CCN(Cc3ccccn3)CC2)CC1 ZINC000740556831 603094231 /nfs/dbraw/zinc/09/42/31/603094231.db2.gz QYSSSDQSXKAFTO-UHFFFAOYSA-N -1 1 375.473 1.924 20 0 GDADMM COc1ccnc(N2CCN(C(=O)NC3CCC(NC(=O)[O-])CC3)CC2)c1 ZINC000739985056 603102120 /nfs/dbraw/zinc/10/21/20/603102120.db2.gz LLPMGUDDYKELFP-UHFFFAOYSA-N -1 1 377.445 1.501 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000824109627 607608533 /nfs/dbraw/zinc/60/85/33/607608533.db2.gz TWIHYVQSFXDSEE-QWHCGFSZSA-N -1 1 388.428 1.998 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000824109627 607608535 /nfs/dbraw/zinc/60/85/35/607608535.db2.gz TWIHYVQSFXDSEE-QWHCGFSZSA-N -1 1 388.428 1.998 20 0 GDADMM C[C@@H]1CN(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)C[C@@H](C)N1C(=O)[O-] ZINC000739147023 603126996 /nfs/dbraw/zinc/12/69/96/603126996.db2.gz MXALYZZQGMUJER-GHMZBOCLSA-N -1 1 376.392 1.893 20 0 GDADMM C[C@@H]1CN(C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)C[C@@H](C)N1C(=O)[O-] ZINC000739147023 603126998 /nfs/dbraw/zinc/12/69/98/603126998.db2.gz MXALYZZQGMUJER-GHMZBOCLSA-N -1 1 376.392 1.893 20 0 GDADMM COc1ccc(-c2n[nH]c(CNC(=O)N3CC[C@@H](NC(=O)[O-])[C@H](C)C3)n2)cc1 ZINC000739880057 603127562 /nfs/dbraw/zinc/12/75/62/603127562.db2.gz RGDIZJHGJNRPDJ-BXUZGUMPSA-N -1 1 388.428 1.668 20 0 GDADMM COc1ccc(-c2nc(CNC(=O)N3CC[C@@H](NC(=O)[O-])[C@H](C)C3)n[nH]2)cc1 ZINC000739880057 603127566 /nfs/dbraw/zinc/12/75/66/603127566.db2.gz RGDIZJHGJNRPDJ-BXUZGUMPSA-N -1 1 388.428 1.668 20 0 GDADMM CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000824109628 607608773 /nfs/dbraw/zinc/60/87/73/607608773.db2.gz TWIHYVQSFXDSEE-STQMWFEESA-N -1 1 388.428 1.998 20 0 GDADMM CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000824109628 607608775 /nfs/dbraw/zinc/60/87/75/607608775.db2.gz TWIHYVQSFXDSEE-STQMWFEESA-N -1 1 388.428 1.998 20 0 GDADMM CC(C)(C)C(=O)Nc1nccnc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000824070718 607609975 /nfs/dbraw/zinc/60/99/75/607609975.db2.gz AJSOUCWDNXFUOZ-UHFFFAOYSA-N -1 1 382.384 1.393 20 0 GDADMM CC(C)(C)C(=O)Nc1nccnc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000824070718 607609977 /nfs/dbraw/zinc/60/99/77/607609977.db2.gz AJSOUCWDNXFUOZ-UHFFFAOYSA-N -1 1 382.384 1.393 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H](c1ccccc1F)N1CCOCC1 ZINC000826467246 607611584 /nfs/dbraw/zinc/61/15/84/607611584.db2.gz NKWOLJWDRARFRW-KRWDZBQOSA-N -1 1 398.398 1.518 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H](c1ccccc1F)N1CCOCC1 ZINC000826467246 607611587 /nfs/dbraw/zinc/61/15/87/607611587.db2.gz NKWOLJWDRARFRW-KRWDZBQOSA-N -1 1 398.398 1.518 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc3c(c2)[nH]c(=S)n(C)c3=O)CC[C@@H]1NC(=O)[O-] ZINC000739164905 603363842 /nfs/dbraw/zinc/36/38/42/603363842.db2.gz FHOHRPKZZJSWKA-CABZTGNLSA-N -1 1 376.438 1.340 20 0 GDADMM CN1CCN(c2ccccc2NC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])CC1 ZINC000739736839 603383689 /nfs/dbraw/zinc/38/36/89/603383689.db2.gz RJOZXJWIUCESRN-HNNXBMFYSA-N -1 1 376.457 1.536 20 0 GDADMM C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739179792 603413643 /nfs/dbraw/zinc/41/36/43/603413643.db2.gz XGWFSLLTSSPJES-LVQVYYBASA-N -1 1 391.468 1.651 20 0 GDADMM CN(CC(=O)N1CCN(C(=O)[O-])CC1)C(=O)c1c(O)cc(Cl)cc1Cl ZINC000828096021 603470711 /nfs/dbraw/zinc/47/07/11/603470711.db2.gz SKHDTUAWQPYADX-UHFFFAOYSA-N -1 1 390.223 1.593 20 0 GDADMM CCCc1nnc([C@H]2CN(C(=O)NC[C@@H]3CCCCN3C(=O)[O-])CCO2)[nH]1 ZINC000826953082 603492394 /nfs/dbraw/zinc/49/23/94/603492394.db2.gz BIEQSKMGXSLIDV-QWHCGFSZSA-N -1 1 380.449 1.373 20 0 GDADMM CCCc1n[nH]c([C@H]2CN(C(=O)NC[C@@H]3CCCCN3C(=O)[O-])CCO2)n1 ZINC000826953082 603492398 /nfs/dbraw/zinc/49/23/98/603492398.db2.gz BIEQSKMGXSLIDV-QWHCGFSZSA-N -1 1 380.449 1.373 20 0 GDADMM CCCc1nnc([C@H]2CN(C(=O)N[C@H]3CCCCN(C(=O)[O-])C3)CCO2)[nH]1 ZINC000826954322 603523985 /nfs/dbraw/zinc/52/39/85/603523985.db2.gz PVHRPEMXYRZVCO-QWHCGFSZSA-N -1 1 380.449 1.373 20 0 GDADMM CCCc1n[nH]c([C@H]2CN(C(=O)N[C@H]3CCCCN(C(=O)[O-])C3)CCO2)n1 ZINC000826954322 603523989 /nfs/dbraw/zinc/52/39/89/603523989.db2.gz PVHRPEMXYRZVCO-QWHCGFSZSA-N -1 1 380.449 1.373 20 0 GDADMM CN(C)Cc1ccc(C(N)=O)cc1NC(=O)NC1CCC(NC(=O)[O-])CC1 ZINC000828042910 603563262 /nfs/dbraw/zinc/56/32/62/603563262.db2.gz UMZVIWGUZQIQRN-UHFFFAOYSA-N -1 1 377.445 1.547 20 0 GDADMM O=S(=O)(N[C@@H](CO)c1c(F)cccc1F)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826487176 607638566 /nfs/dbraw/zinc/63/85/66/607638566.db2.gz GTVLMUUBGBTJHA-LBPRGKRZSA-N -1 1 399.354 1.296 20 0 GDADMM CC(C)C[C@H](CNC(=O)[O-])NC(=O)N1CCC(CCN2CCOCC2)CC1 ZINC000824191360 603668681 /nfs/dbraw/zinc/66/86/81/603668681.db2.gz UZKFPOOJXNAFNE-QGZVFWFLSA-N -1 1 384.521 1.813 20 0 GDADMM CCN(Cc1cccc(NC(=O)C(=O)N[C@@H]2CCCN(CC)C2)c1)C(=O)[O-] ZINC000827214939 603701714 /nfs/dbraw/zinc/70/17/14/603701714.db2.gz KTKWNNUEMKQOOA-MRXNPFEDSA-N -1 1 376.457 1.726 20 0 GDADMM CCC(CC)(CNC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O)NC(=O)[O-] ZINC000826552378 603728740 /nfs/dbraw/zinc/72/87/40/603728740.db2.gz FYBWTNAABLOPAJ-UHFFFAOYSA-N -1 1 378.454 1.778 20 0 GDADMM Cc1nc([C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)no1 ZINC000826325104 607652872 /nfs/dbraw/zinc/65/28/72/607652872.db2.gz NQFMIBLYOMJHKM-LLVKDONJSA-N -1 1 395.832 1.737 20 0 GDADMM CN([C@H](CCO)c1ccccc1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825833195 607653021 /nfs/dbraw/zinc/65/30/21/607653021.db2.gz BGBOKFYHNMSFDY-MRXNPFEDSA-N -1 1 391.428 1.750 20 0 GDADMM O=C([O-])NC[C@@H]1CCCC[C@H]1NC(=O)CCN1CCN(c2ccccn2)CC1 ZINC000832499140 603848953 /nfs/dbraw/zinc/84/89/53/603848953.db2.gz OKAWJHNRNYBQHH-DLBZAZTESA-N -1 1 389.500 1.536 20 0 GDADMM CCCC[C@H](CNC(=O)[O-])NC(=O)N1CCN(c2cc(OC)ccn2)CC1 ZINC000826794398 603889231 /nfs/dbraw/zinc/88/92/31/603889231.db2.gz HWCRQJLBBZYQJA-CQSZACIVSA-N -1 1 379.461 1.748 20 0 GDADMM O=C([O-])N[C@H](CNC(=O)N1CCC(CN2CCOCC2)CC1)c1ccccc1 ZINC000832129430 603891445 /nfs/dbraw/zinc/89/14/45/603891445.db2.gz YHPPMXSPPIJJQS-GOSISDBHSA-N -1 1 390.484 1.749 20 0 GDADMM CCN(CC1CCN(C(=O)NC[C@@H]2CN(CC(C)C)CCO2)CC1)C(=O)[O-] ZINC000827070853 603891940 /nfs/dbraw/zinc/89/19/40/603891940.db2.gz RJJVJNNMGDWNSU-QGZVFWFLSA-N -1 1 384.521 1.765 20 0 GDADMM O=S(=O)(N[C@H](CO)C1CCCCC1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826487340 607657854 /nfs/dbraw/zinc/65/78/54/607657854.db2.gz LQNLIRRERRSWQO-GFCCVEGCSA-N -1 1 385.877 1.740 20 0 GDADMM O=S(=O)(N[C@H](CO)C1CCCCC1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826487340 607657855 /nfs/dbraw/zinc/65/78/55/607657855.db2.gz LQNLIRRERRSWQO-GFCCVEGCSA-N -1 1 385.877 1.740 20 0 GDADMM O=C([O-])N1CCN(CCCNS(=O)(=O)c2c(F)cc(F)cc2F)CC1 ZINC000832031109 603912380 /nfs/dbraw/zinc/91/23/80/603912380.db2.gz HBHVYROSQRLTOX-UHFFFAOYSA-N -1 1 381.376 1.068 20 0 GDADMM C[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)C(=O)OC1CCCC1 ZINC000826232239 607661502 /nfs/dbraw/zinc/66/15/02/607661502.db2.gz KAVVXAPEHRDUQE-VIFPVBQESA-N -1 1 399.860 1.673 20 0 GDADMM C[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)C(=O)OC1CCCC1 ZINC000826232239 607661504 /nfs/dbraw/zinc/66/15/04/607661504.db2.gz KAVVXAPEHRDUQE-VIFPVBQESA-N -1 1 399.860 1.673 20 0 GDADMM CCN(CC)Cc1ccc(C(=O)Nc2nc(N3CCN(C(=O)[O-])CC3)n[nH]2)o1 ZINC000827046334 603957407 /nfs/dbraw/zinc/95/74/07/603957407.db2.gz SIVTTWKGYLNMNG-UHFFFAOYSA-N -1 1 391.432 1.292 20 0 GDADMM C[C@]1(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCCC[C@H]1O ZINC000824822728 607662764 /nfs/dbraw/zinc/66/27/64/607662764.db2.gz GZXICZPWBPEWNF-IUODEOHRSA-N -1 1 385.877 1.740 20 0 GDADMM C[C@]1(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCCC[C@H]1O ZINC000824822728 607662767 /nfs/dbraw/zinc/66/27/67/607662767.db2.gz GZXICZPWBPEWNF-IUODEOHRSA-N -1 1 385.877 1.740 20 0 GDADMM Cc1ccsc1[C@@H](CO)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826316739 607664098 /nfs/dbraw/zinc/66/40/98/607664098.db2.gz XMRWSTNNFCDNAZ-SNVBAGLBSA-N -1 1 399.885 1.902 20 0 GDADMM Cc1ccsc1[C@@H](CO)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826316739 607664101 /nfs/dbraw/zinc/66/41/01/607664101.db2.gz XMRWSTNNFCDNAZ-SNVBAGLBSA-N -1 1 399.885 1.902 20 0 GDADMM Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826329062 607666397 /nfs/dbraw/zinc/66/63/97/607666397.db2.gz OWKRIONVZYPPKT-LLVKDONJSA-N -1 1 394.848 1.233 20 0 GDADMM CC[C@H](CCO)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825115298 607667644 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ZINC000833884906 605375376 /nfs/dbraw/zinc/37/53/76/605375376.db2.gz XMGSLYZZAUISBC-OAHLLOKOSA-N -1 1 387.440 1.804 20 0 GDADMM O=C([O-])N1CCC[C@@H]1C(=O)NC[C@H]1CCCN(CN2C(=O)CC23CCC3)C1 ZINC000834024970 605410380 /nfs/dbraw/zinc/41/03/80/605410380.db2.gz GPGNSDZSTJHHFW-HUUCEWRRSA-N -1 1 378.473 1.070 20 0 GDADMM Cc1nc(S(=O)(=O)NC[C@H]2CCN(C(=O)[O-])C2)sc1Br ZINC000833916335 605426974 /nfs/dbraw/zinc/42/69/74/605426974.db2.gz QCVXEOTUVSKKNT-SSDOTTSWSA-N -1 1 384.277 1.492 20 0 GDADMM CNC(=O)c1cccc(NC(=O)[C@H](C)N2C[C@@H]3CCC[C@H](NC(=O)[O-])[C@@H]3C2)c1 ZINC000833876421 605454600 /nfs/dbraw/zinc/45/46/00/605454600.db2.gz DYLSOIVTARMIPF-SDNTUTLCSA-N -1 1 388.468 1.741 20 0 GDADMM Cn1c(=O)c2ccc(C(=O)N(C3CC3)[C@H]3CCN(C(=O)[O-])C3)cc2[nH]c1=S ZINC000830979197 605462315 /nfs/dbraw/zinc/46/23/15/605462315.db2.gz VNZBHUMDMNAQKX-LBPRGKRZSA-N -1 1 388.449 1.579 20 0 GDADMM Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNCC1(NC(=O)[O-])CCC1 ZINC000833919566 605520570 /nfs/dbraw/zinc/52/05/70/605520570.db2.gz LAIXXHXARLTCOX-LLVKDONJSA-N -1 1 390.893 1.484 20 0 GDADMM O=C([O-])NCc1ccc(C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)o1 ZINC000832691981 605523212 /nfs/dbraw/zinc/52/32/12/605523212.db2.gz UNKBJZGCNPPAJL-NVXWUHKLSA-N -1 1 387.436 1.660 20 0 GDADMM COc1cccc([C@H](CNC(=O)C[C@@H]2CSCCN2C(=O)[O-])N(C)C)c1 ZINC000829543376 605601433 /nfs/dbraw/zinc/60/14/33/605601433.db2.gz JGILGNDBRAVNTG-ZBFHGGJFSA-N -1 1 381.498 1.900 20 0 GDADMM COC(=O)[C@H]1CCN(CCCOc2ccc(S(C)(=O)=O)cc2)[C@H](C(=O)[O-])C1 ZINC000833705575 605687631 /nfs/dbraw/zinc/68/76/31/605687631.db2.gz DGZXUCKFUKXSIE-BBRMVZONSA-N -1 1 399.465 1.197 20 0 GDADMM C[C@H]1C[C@@H](CNC(=O)[O-])CN1CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000833830925 605896184 /nfs/dbraw/zinc/89/61/84/605896184.db2.gz LIGPJHUVHGAUIT-VGGFTTENSA-N -1 1 392.500 1.759 20 0 GDADMM O=C([O-])N1CCC[C@H]1CNC(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000834024981 605932956 /nfs/dbraw/zinc/93/29/56/605932956.db2.gz GTJDAUCGQJTJCX-VIFPVBQESA-N -1 1 381.339 1.698 20 0 GDADMM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2CC(=O)NCCOc1cccc(F)c1 ZINC000832235095 605943913 /nfs/dbraw/zinc/94/39/13/605943913.db2.gz WOSQSLNEBFCBEZ-MQVJKMGUSA-N -1 1 379.432 1.974 20 0 GDADMM O=C([O-])Nc1cnc(C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)cn1 ZINC000834279065 606061377 /nfs/dbraw/zinc/06/13/77/606061377.db2.gz HQPCJICPFDJXDU-GOEBONIOSA-N -1 1 385.424 1.179 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)NC(=O)NCc1ccccc1 ZINC000823026955 606136328 /nfs/dbraw/zinc/13/63/28/606136328.db2.gz KDHQEOWUVSNWEY-UHFFFAOYSA-N -1 1 386.393 1.111 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)NC(=O)NCc1ccccc1 ZINC000823026955 606136329 /nfs/dbraw/zinc/13/63/29/606136329.db2.gz KDHQEOWUVSNWEY-UHFFFAOYSA-N -1 1 386.393 1.111 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCCC[C@H]1c1nccs1 ZINC000823600011 606147216 /nfs/dbraw/zinc/14/72/16/606147216.db2.gz BUHLMKZMRDPIPQ-LBPRGKRZSA-N -1 1 377.455 1.634 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCCC[C@H]1c1nccs1 ZINC000823600011 606147218 /nfs/dbraw/zinc/14/72/18/606147218.db2.gz BUHLMKZMRDPIPQ-LBPRGKRZSA-N -1 1 377.455 1.634 20 0 GDADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc2c(c1)CC(=O)N2C ZINC000820380687 606154720 /nfs/dbraw/zinc/15/47/20/606154720.db2.gz YSQSGYZQTXBWFW-VIFPVBQESA-N -1 1 381.400 1.002 20 0 GDADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc2c(c1)CC(=O)N2C ZINC000820380687 606154721 /nfs/dbraw/zinc/15/47/21/606154721.db2.gz YSQSGYZQTXBWFW-VIFPVBQESA-N -1 1 381.400 1.002 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)n1 ZINC000822609507 606157298 /nfs/dbraw/zinc/15/72/98/606157298.db2.gz OTHPQKJBYQTYPT-CYBMUJFWSA-N -1 1 396.411 1.740 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)n1 ZINC000822609507 606157300 /nfs/dbraw/zinc/15/73/00/606157300.db2.gz OTHPQKJBYQTYPT-CYBMUJFWSA-N -1 1 396.411 1.740 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCc2ccc(C(F)(F)F)cc2)n1 ZINC000822620492 606158411 /nfs/dbraw/zinc/15/84/11/606158411.db2.gz TVGDEJTZACILIE-UHFFFAOYSA-N -1 1 380.334 1.983 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCc2ccc(C(F)(F)F)cc2)n1 ZINC000822620492 606158413 /nfs/dbraw/zinc/15/84/13/606158413.db2.gz TVGDEJTZACILIE-UHFFFAOYSA-N -1 1 380.334 1.983 20 0 GDADMM COc1ccc(COCCCNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000821824143 606166879 /nfs/dbraw/zinc/16/68/79/606166879.db2.gz IAZUEZCJEIMRCO-UHFFFAOYSA-N -1 1 386.416 1.337 20 0 GDADMM COc1ccc(COCCCNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000821824143 606166881 /nfs/dbraw/zinc/16/68/81/606166881.db2.gz IAZUEZCJEIMRCO-UHFFFAOYSA-N -1 1 386.416 1.337 20 0 GDADMM CCN(CCCNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC000821207231 606171146 /nfs/dbraw/zinc/17/11/46/606171146.db2.gz JLCZVZLKBFPTEY-UHFFFAOYSA-N -1 1 393.452 1.369 20 0 GDADMM CCN(CCCNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC000821207231 606171147 /nfs/dbraw/zinc/17/11/47/606171147.db2.gz JLCZVZLKBFPTEY-UHFFFAOYSA-N -1 1 393.452 1.369 20 0 GDADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000821343297 606200099 /nfs/dbraw/zinc/20/00/99/606200099.db2.gz NRGDNJSHNBNFKO-JTQLQIEISA-N -1 1 391.409 1.676 20 0 GDADMM CC(C)(C)OC(=O)CCC(C)(C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000819976567 606237778 /nfs/dbraw/zinc/23/77/78/606237778.db2.gz XIVKPIWQSOGRTA-UHFFFAOYSA-N -1 1 396.473 1.441 20 0 GDADMM CC(C)(C)OC(=O)CCC(C)(C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000819976567 606237779 /nfs/dbraw/zinc/23/77/79/606237779.db2.gz XIVKPIWQSOGRTA-UHFFFAOYSA-N -1 1 396.473 1.441 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCC2(O)CCCCCC2)cc1-c1nn[n-]n1 ZINC000821979373 606286237 /nfs/dbraw/zinc/28/62/37/606286237.db2.gz RODIHSVRDDMWBN-UHFFFAOYSA-N -1 1 378.458 1.504 20 0 GDADMM O=C(CN1c2ccccc2OCCC1=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822993496 606294559 /nfs/dbraw/zinc/29/45/59/606294559.db2.gz UVKMOVIGDSTJMV-UHFFFAOYSA-N -1 1 380.364 1.327 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC(OCC(F)F)C1 ZINC000822535207 606299679 /nfs/dbraw/zinc/29/96/79/606299679.db2.gz JQXRFJIIVWVDKR-UHFFFAOYSA-N -1 1 378.339 1.665 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC(OCC(F)F)C1 ZINC000822535207 606299680 /nfs/dbraw/zinc/29/96/80/606299680.db2.gz JQXRFJIIVWVDKR-UHFFFAOYSA-N -1 1 378.339 1.665 20 0 GDADMM CS/C=C\C(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000821956022 606310214 /nfs/dbraw/zinc/31/02/14/606310214.db2.gz FPSNCQOIDXCFTM-WMZJFQQLSA-N -1 1 387.425 1.640 20 0 GDADMM Cc1ccccc1Cc1nc(COC(=O)c2ccc(-c3nnn[n-]3)nc2)no1 ZINC000822362540 606377607 /nfs/dbraw/zinc/37/76/07/606377607.db2.gz XYUKFLKHWLLCHK-UHFFFAOYSA-N -1 1 377.364 1.901 20 0 GDADMM Cc1ccccc1Cc1nc(COC(=O)c2ccc(-c3nn[n-]n3)nc2)no1 ZINC000822362540 606377609 /nfs/dbraw/zinc/37/76/09/606377609.db2.gz XYUKFLKHWLLCHK-UHFFFAOYSA-N -1 1 377.364 1.901 20 0 GDADMM NC(=O)CSc1nnc(Sc2ccc(Cl)c(-c3nnn[n-]3)n2)s1 ZINC000822873784 606441069 /nfs/dbraw/zinc/44/10/69/606441069.db2.gz JEDJIYMXVVLIDO-UHFFFAOYSA-N -1 1 386.875 1.495 20 0 GDADMM NC(=O)CSc1nnc(Sc2ccc(Cl)c(-c3nn[n-]n3)n2)s1 ZINC000822873784 606441071 /nfs/dbraw/zinc/44/10/71/606441071.db2.gz JEDJIYMXVVLIDO-UHFFFAOYSA-N -1 1 386.875 1.495 20 0 GDADMM COc1cccc(-c2noc(NCCCc3[nH]nc(N)c3-c3nn[n-]n3)n2)c1 ZINC000821854662 606441712 /nfs/dbraw/zinc/44/17/12/606441712.db2.gz QVBDWSLDSXKHME-UHFFFAOYSA-N -1 1 382.388 1.275 20 0 GDADMM Nc1n[nH]c(CCCNc2ccc(S(=O)(=O)C(F)F)cc2)c1-c1nnn[n-]1 ZINC000822899643 606442116 /nfs/dbraw/zinc/44/21/16/606442116.db2.gz NFALRNJHXIYJBG-UHFFFAOYSA-N -1 1 398.399 1.213 20 0 GDADMM Nc1n[nH]c(CCCNc2ccc(S(=O)(=O)C(F)F)cc2)c1-c1nn[n-]n1 ZINC000822899643 606442117 /nfs/dbraw/zinc/44/21/17/606442117.db2.gz NFALRNJHXIYJBG-UHFFFAOYSA-N -1 1 398.399 1.213 20 0 GDADMM Cc1ccc([C@H](CNC(=O)c2ccc(-c3nnn[n-]3)s2)N2CCOCC2)o1 ZINC000822230856 606498221 /nfs/dbraw/zinc/49/82/21/606498221.db2.gz SCJDKHJADKHKDZ-LBPRGKRZSA-N -1 1 388.453 1.633 20 0 GDADMM Cc1ccc([C@H](CNC(=O)c2ccc(-c3nn[n-]n3)s2)N2CCOCC2)o1 ZINC000822230856 606498222 /nfs/dbraw/zinc/49/82/22/606498222.db2.gz SCJDKHJADKHKDZ-LBPRGKRZSA-N -1 1 388.453 1.633 20 0 GDADMM COC(=O)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)Cc1cccc(C)c1 ZINC000821640976 606553774 /nfs/dbraw/zinc/55/37/74/606553774.db2.gz SVOSFAALMRFOFF-CYBMUJFWSA-N -1 1 385.449 1.998 20 0 GDADMM COC(=O)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)Cc1cccc(C)c1 ZINC000821640976 606553775 /nfs/dbraw/zinc/55/37/75/606553775.db2.gz SVOSFAALMRFOFF-CYBMUJFWSA-N -1 1 385.449 1.998 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000823535896 606573849 /nfs/dbraw/zinc/57/38/49/606573849.db2.gz LMUXABYVZYCOAS-UHFFFAOYSA-N -1 1 386.412 1.552 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000823535896 606573851 /nfs/dbraw/zinc/57/38/51/606573851.db2.gz LMUXABYVZYCOAS-UHFFFAOYSA-N -1 1 386.412 1.552 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@H]1CCO[C@@H]1C(C)C ZINC000822004629 606586415 /nfs/dbraw/zinc/58/64/15/606586415.db2.gz JXYZTOHQQPSMBK-CXAGYDPISA-N -1 1 388.472 1.694 20 0 GDADMM CC(C)(C)OC(=O)[C@H]1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000819921838 606618277 /nfs/dbraw/zinc/61/82/77/606618277.db2.gz BMKZXYJWZAFKSD-JTQLQIEISA-N -1 1 397.432 1.358 20 0 GDADMM CC[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)C(C)(C)c1ccccc1 ZINC000820925987 606643435 /nfs/dbraw/zinc/64/34/35/606643435.db2.gz OLSGSEMPUCDKGA-CYBMUJFWSA-N -1 1 383.456 1.432 20 0 GDADMM CCS(=O)(=O)c1ccc(CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000821446468 606650974 /nfs/dbraw/zinc/65/09/74/606650974.db2.gz ASLGWSZYBMICBJ-UHFFFAOYSA-N -1 1 387.421 1.341 20 0 GDADMM CCS(=O)(=O)c1ccc(CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000821446468 606650975 /nfs/dbraw/zinc/65/09/75/606650975.db2.gz ASLGWSZYBMICBJ-UHFFFAOYSA-N -1 1 387.421 1.341 20 0 GDADMM CC[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1nnc2n1CCCCC2 ZINC000820921313 606657893 /nfs/dbraw/zinc/65/78/93/606657893.db2.gz YBKIZNIJJLHOFB-NSHDSACASA-N -1 1 385.436 1.191 20 0 GDADMM CC[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1nnc2n1CCCCC2 ZINC000820921313 606657894 /nfs/dbraw/zinc/65/78/94/606657894.db2.gz YBKIZNIJJLHOFB-NSHDSACASA-N -1 1 385.436 1.191 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCO[C@@H](c2cccs2)C1 ZINC000823600298 606738559 /nfs/dbraw/zinc/73/85/59/606738559.db2.gz FOKCEZPWGNNPFY-CYBMUJFWSA-N -1 1 395.441 1.830 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCc1ccccc1 ZINC000820788738 606767631 /nfs/dbraw/zinc/76/76/31/606767631.db2.gz NFNBBTKIXRURQB-ZDUSSCGKSA-N -1 1 379.428 1.077 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCc1ccccc1 ZINC000820788738 606767632 /nfs/dbraw/zinc/76/76/32/606767632.db2.gz NFNBBTKIXRURQB-ZDUSSCGKSA-N -1 1 379.428 1.077 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCCc2ccc(Cl)nc2)cc1-c1nn[n-]n1 ZINC000821976513 606768887 /nfs/dbraw/zinc/76/88/87/606768887.db2.gz BGXIFCIGQRRNFR-UHFFFAOYSA-N -1 1 391.844 1.710 20 0 GDADMM CCCCc1nc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)no1 ZINC000821077320 606782966 /nfs/dbraw/zinc/78/29/66/606782966.db2.gz AIUAUXSZAAUZKN-LBPRGKRZSA-N -1 1 384.448 1.093 20 0 GDADMM CCCCc1nc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)no1 ZINC000821077320 606782967 /nfs/dbraw/zinc/78/29/67/606782967.db2.gz AIUAUXSZAAUZKN-LBPRGKRZSA-N -1 1 384.448 1.093 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NOCc1ccccc1 ZINC000820789167 606786765 /nfs/dbraw/zinc/78/67/65/606786765.db2.gz WVCOQSQPXRLMGP-CYBMUJFWSA-N -1 1 395.427 1.009 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NOCc1ccccc1 ZINC000820789167 606786766 /nfs/dbraw/zinc/78/67/66/606786766.db2.gz WVCOQSQPXRLMGP-CYBMUJFWSA-N -1 1 395.427 1.009 20 0 GDADMM C[C@H](Cc1ccco1)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820301683 606786776 /nfs/dbraw/zinc/78/67/76/606786776.db2.gz ZGZHPZDZDZKUPR-CHWSQXEVSA-N -1 1 397.443 1.101 20 0 GDADMM C[C@H](Cc1ccco1)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820301683 606786778 /nfs/dbraw/zinc/78/67/78/606786778.db2.gz ZGZHPZDZDZKUPR-CHWSQXEVSA-N -1 1 397.443 1.101 20 0 GDADMM CCCCC[C@@H](C)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821049865 606787454 /nfs/dbraw/zinc/78/74/54/606787454.db2.gz NKHLGJRBMKLYQF-ZIAGYGMSSA-N -1 1 387.492 1.846 20 0 GDADMM CCCCC[C@@H](C)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821049865 606787457 /nfs/dbraw/zinc/78/74/57/606787457.db2.gz NKHLGJRBMKLYQF-ZIAGYGMSSA-N -1 1 387.492 1.846 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000822535303 606812772 /nfs/dbraw/zinc/81/27/72/606812772.db2.gz MVLAXJCUWDQGCO-UONOGXRCSA-N -1 1 398.423 1.579 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000822535303 606812774 /nfs/dbraw/zinc/81/27/74/606812774.db2.gz MVLAXJCUWDQGCO-UONOGXRCSA-N -1 1 398.423 1.579 20 0 GDADMM O=C(CCc1ccccc1)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000823149817 606814809 /nfs/dbraw/zinc/81/48/09/606814809.db2.gz HGWZCJZOCOCGJO-CQSZACIVSA-N -1 1 396.476 1.892 20 0 GDADMM O=C(CCc1ccccc1)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000823149817 606814810 /nfs/dbraw/zinc/81/48/10/606814810.db2.gz HGWZCJZOCOCGJO-CQSZACIVSA-N -1 1 396.476 1.892 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)NC[C@H](O)CC(C)C)c1-c1nn[n-]n1 ZINC000821990350 606816256 /nfs/dbraw/zinc/81/62/56/606816256.db2.gz RSXAYGKBMARNBU-LLVKDONJSA-N -1 1 376.486 1.998 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@@H]2COCC[C@@H]21 ZINC000822005168 606817278 /nfs/dbraw/zinc/81/72/78/606817278.db2.gz PBUSVIPJELZRNR-HIFRSBDPSA-N -1 1 386.456 1.544 20 0 GDADMM COc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c(F)c1 ZINC000821769981 606820908 /nfs/dbraw/zinc/82/09/08/606820908.db2.gz MLGSKBSWDZRCPP-NSHDSACASA-N -1 1 398.402 1.155 20 0 GDADMM COc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c(F)c1 ZINC000821769981 606820909 /nfs/dbraw/zinc/82/09/09/606820909.db2.gz MLGSKBSWDZRCPP-NSHDSACASA-N -1 1 398.402 1.155 20 0 GDADMM CC(=CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1ccccc1 ZINC000819766321 606821207 /nfs/dbraw/zinc/82/12/07/606821207.db2.gz WPHZTWWCCBCGQX-OKFGHLOFSA-N -1 1 390.451 1.797 20 0 GDADMM CC(=CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1ccccc1 ZINC000819766321 606821208 /nfs/dbraw/zinc/82/12/08/606821208.db2.gz WPHZTWWCCBCGQX-OKFGHLOFSA-N -1 1 390.451 1.797 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@@H]1CCc2ccccc21 ZINC000820775790 606823021 /nfs/dbraw/zinc/82/30/21/606823021.db2.gz JEMCKHWKXIQFFC-CZUORRHYSA-N -1 1 390.451 1.424 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@@H]1CCc2ccccc21 ZINC000820775790 606823022 /nfs/dbraw/zinc/82/30/22/606823022.db2.gz JEMCKHWKXIQFFC-CZUORRHYSA-N -1 1 390.451 1.424 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc(F)ccc1F ZINC000820788677 606823944 /nfs/dbraw/zinc/82/39/44/606823944.db2.gz MAVOLXSVLFVBFI-JTQLQIEISA-N -1 1 386.366 1.286 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc(F)ccc1F ZINC000820788677 606823945 /nfs/dbraw/zinc/82/39/45/606823945.db2.gz MAVOLXSVLFVBFI-JTQLQIEISA-N -1 1 386.366 1.286 20 0 GDADMM Cc1cccc(OCC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1 ZINC000822329130 606824345 /nfs/dbraw/zinc/82/43/45/606824345.db2.gz YWOQEVLLFSCXHA-CQSZACIVSA-N -1 1 394.439 1.081 20 0 GDADMM Cc1cccc(OCC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1 ZINC000822329130 606824347 /nfs/dbraw/zinc/82/43/47/606824347.db2.gz YWOQEVLLFSCXHA-CQSZACIVSA-N -1 1 394.439 1.081 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C=Cc1ccccc1F ZINC000820774515 606824845 /nfs/dbraw/zinc/82/48/45/606824845.db2.gz FDBATDMDXIJXIP-FMFIFOJESA-N -1 1 394.414 1.546 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C=Cc1ccccc1F ZINC000820774515 606824847 /nfs/dbraw/zinc/82/48/47/606824847.db2.gz FDBATDMDXIJXIP-FMFIFOJESA-N -1 1 394.414 1.546 20 0 GDADMM COCc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cc1 ZINC000821695057 606825474 /nfs/dbraw/zinc/82/54/74/606825474.db2.gz HMMFMVGWHADKSV-ZDUSSCGKSA-N -1 1 394.439 1.154 20 0 GDADMM COCc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cc1 ZINC000821695057 606825476 /nfs/dbraw/zinc/82/54/76/606825476.db2.gz HMMFMVGWHADKSV-ZDUSSCGKSA-N -1 1 394.439 1.154 20 0 GDADMM CCCCC[C@H](O)CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821050795 606830310 /nfs/dbraw/zinc/83/03/10/606830310.db2.gz UNQJGCJMPXFEMJ-KBPBESRZSA-N -1 1 388.476 1.025 20 0 GDADMM CCCCC[C@H](O)CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821050795 606830312 /nfs/dbraw/zinc/83/03/12/606830312.db2.gz UNQJGCJMPXFEMJ-KBPBESRZSA-N -1 1 388.476 1.025 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cccnc1Cl ZINC000820789155 606831363 /nfs/dbraw/zinc/83/13/63/606831363.db2.gz WRKPVWDKGORCBD-JTQLQIEISA-N -1 1 385.819 1.056 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cccnc1Cl ZINC000820789155 606831365 /nfs/dbraw/zinc/83/13/65/606831365.db2.gz WRKPVWDKGORCBD-JTQLQIEISA-N -1 1 385.819 1.056 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc2ccccn2c1 ZINC000820788938 606831722 /nfs/dbraw/zinc/83/17/22/606831722.db2.gz RPTQPLVCIXIWNZ-ZDUSSCGKSA-N -1 1 389.423 1.260 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc2ccccn2c1 ZINC000820788938 606831724 /nfs/dbraw/zinc/83/17/24/606831724.db2.gz RPTQPLVCIXIWNZ-ZDUSSCGKSA-N -1 1 389.423 1.260 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cccc2[nH]ccc21 ZINC000820788965 606831773 /nfs/dbraw/zinc/83/17/73/606831773.db2.gz SIBSYDUUBJXUQH-GFCCVEGCSA-N -1 1 389.423 1.489 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cccc2[nH]ccc21 ZINC000820788965 606831774 /nfs/dbraw/zinc/83/17/74/606831774.db2.gz SIBSYDUUBJXUQH-GFCCVEGCSA-N -1 1 389.423 1.489 20 0 GDADMM C[C@@H]1CCCC[C@H]1CNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820696744 606832537 /nfs/dbraw/zinc/83/25/37/606832537.db2.gz BTLWTIMNLWXTAY-ILXRZTDVSA-N -1 1 399.503 1.703 20 0 GDADMM C[C@@H]1CCCC[C@H]1CNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820696744 606832539 /nfs/dbraw/zinc/83/25/39/606832539.db2.gz BTLWTIMNLWXTAY-ILXRZTDVSA-N -1 1 399.503 1.703 20 0 GDADMM CN(Cc1ccc(Cl)nc1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821611257 606840794 /nfs/dbraw/zinc/84/07/94/606840794.db2.gz YASYYNAXTACYPX-UHFFFAOYSA-N -1 1 382.808 1.875 20 0 GDADMM Cc1noc([C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3-c3nn[n-]n3)C2)n1 ZINC000822527737 606842785 /nfs/dbraw/zinc/84/27/85/606842785.db2.gz BRAGXXZVHJGKBI-JTQLQIEISA-N -1 1 393.404 1.266 20 0 GDADMM CCCO[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000821128592 606843871 /nfs/dbraw/zinc/84/38/71/606843871.db2.gz XCOHQGZTUOIKEF-ZDUSSCGKSA-N -1 1 383.449 1.976 20 0 GDADMM Cc1noc(C(C)C)c1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000822520343 606855476 /nfs/dbraw/zinc/85/54/76/606855476.db2.gz YLQWCQHYHMEYPJ-LLVKDONJSA-N -1 1 397.443 1.427 20 0 GDADMM Cc1noc(C(C)C)c1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000822520343 606855477 /nfs/dbraw/zinc/85/54/77/606855477.db2.gz YLQWCQHYHMEYPJ-LLVKDONJSA-N -1 1 397.443 1.427 20 0 GDADMM Cc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c(C)n1 ZINC000822226257 606855750 /nfs/dbraw/zinc/85/57/50/606855750.db2.gz JUYCPDSCOMDQAL-GFCCVEGCSA-N -1 1 379.428 1.019 20 0 GDADMM Cc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c(C)n1 ZINC000822226257 606855751 /nfs/dbraw/zinc/85/57/51/606855751.db2.gz JUYCPDSCOMDQAL-GFCCVEGCSA-N -1 1 379.428 1.019 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000823607802 606875777 /nfs/dbraw/zinc/87/57/77/606875777.db2.gz XKXCAXLMPCAVFO-LLVKDONJSA-N -1 1 390.400 1.243 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000823607802 606875778 /nfs/dbraw/zinc/87/57/78/606875778.db2.gz XKXCAXLMPCAVFO-LLVKDONJSA-N -1 1 390.400 1.243 20 0 GDADMM CCNS(=O)(=O)c1ccc(CNc2snc(Cl)c2-c2nnn[n-]2)cc1 ZINC000821292387 606878613 /nfs/dbraw/zinc/87/86/13/606878613.db2.gz AADXRZPGENUNMI-UHFFFAOYSA-N -1 1 399.889 1.887 20 0 GDADMM CCNS(=O)(=O)c1ccc(CNc2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC000821292387 606878615 /nfs/dbraw/zinc/87/86/15/606878615.db2.gz AADXRZPGENUNMI-UHFFFAOYSA-N -1 1 399.889 1.887 20 0 GDADMM O[C@H](C[C@H]1COCCN1c1ccc(Cl)c(-c2nnn[n-]2)n1)c1ccco1 ZINC000823673784 606879257 /nfs/dbraw/zinc/87/92/57/606879257.db2.gz OESKFHBENHWOHO-CMPLNLGQSA-N -1 1 376.804 1.837 20 0 GDADMM O[C@H](C[C@H]1COCCN1c1ccc(Cl)c(-c2nn[n-]n2)n1)c1ccco1 ZINC000823673784 606879259 /nfs/dbraw/zinc/87/92/59/606879259.db2.gz OESKFHBENHWOHO-CMPLNLGQSA-N -1 1 376.804 1.837 20 0 GDADMM CCc1nnc(Sc2nnc(NC(C)=O)s2)c(-c2nn[n-]n2)c1CC ZINC000821548106 606933107 /nfs/dbraw/zinc/93/31/07/606933107.db2.gz IEGPSHVLRMLOHW-UHFFFAOYSA-N -1 1 377.459 1.743 20 0 GDADMM CN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1-c1nn[nH]n1 ZINC000821569844 606973001 /nfs/dbraw/zinc/97/30/01/606973001.db2.gz XVYICTPVAUMAJF-SFHVURJKSA-N -1 1 378.436 1.731 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC000822535496 606985481 /nfs/dbraw/zinc/98/54/81/606985481.db2.gz UHAJSSCPWSASOA-LBPRGKRZSA-N -1 1 378.396 1.569 20 0 GDADMM O=S(=O)([N-]N=c1nc[nH]c2ccsc21)c1ccc(-c2nn[nH]n2)cc1F ZINC000823582894 607004439 /nfs/dbraw/zinc/00/44/39/607004439.db2.gz CPSKPADZOCKCIV-UHFFFAOYSA-N -1 1 392.401 1.316 20 0 GDADMM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000736593882 607005198 /nfs/dbraw/zinc/00/51/98/607005198.db2.gz MBILZDPYNBINPQ-SNVBAGLBSA-N -1 1 399.860 1.484 20 0 GDADMM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000736593882 607005200 /nfs/dbraw/zinc/00/52/00/607005200.db2.gz MBILZDPYNBINPQ-SNVBAGLBSA-N -1 1 399.860 1.484 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000823600563 607005916 /nfs/dbraw/zinc/00/59/16/607005916.db2.gz IMWPVNLXUMQLQX-BDJLRTHQSA-N -1 1 381.433 1.322 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000823607902 607007176 /nfs/dbraw/zinc/00/71/76/607007176.db2.gz YJRSSEFPYSPTPM-ZBEGNZNMSA-N -1 1 381.433 1.322 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000823607902 607007178 /nfs/dbraw/zinc/00/71/78/607007178.db2.gz YJRSSEFPYSPTPM-ZBEGNZNMSA-N -1 1 381.433 1.322 20 0 GDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@H]1CCCN1C(=O)OCC(F)(F)F ZINC000823380476 607025594 /nfs/dbraw/zinc/02/55/94/607025594.db2.gz YOKDSMROKFMTGE-ZCFIWIBFSA-N -1 1 391.335 1.425 20 0 GDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@H]1CCCN1C(=O)OCC(F)(F)F ZINC000823380476 607025596 /nfs/dbraw/zinc/02/55/96/607025596.db2.gz YOKDSMROKFMTGE-ZCFIWIBFSA-N -1 1 391.335 1.425 20 0 GDADMM Cc1occc1-c1nnc(Sc2c3ccccc3nnc2-c2nn[n-]n2)n1N ZINC000822552605 607028586 /nfs/dbraw/zinc/02/85/86/607028586.db2.gz CYOHEHUPNVLFQW-UHFFFAOYSA-N -1 1 392.408 1.835 20 0 GDADMM COc1ccc(NC(=O)CN2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)cc1 ZINC000821831679 607037047 /nfs/dbraw/zinc/03/70/47/607037047.db2.gz IUGMSUVYNVCHID-UHFFFAOYSA-N -1 1 394.439 1.031 20 0 GDADMM COc1ccc(NC(=O)CN2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)cc1 ZINC000821831679 607037048 /nfs/dbraw/zinc/03/70/48/607037048.db2.gz IUGMSUVYNVCHID-UHFFFAOYSA-N -1 1 394.439 1.031 20 0 GDADMM CCCC1(CNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)CC1 ZINC000821034836 607124969 /nfs/dbraw/zinc/12/49/69/607124969.db2.gz VHBHBUDLTQWWEX-ZDUSSCGKSA-N -1 1 385.476 1.457 20 0 GDADMM CCCC1(CNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)CC1 ZINC000821034836 607124970 /nfs/dbraw/zinc/12/49/70/607124970.db2.gz VHBHBUDLTQWWEX-ZDUSSCGKSA-N -1 1 385.476 1.457 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC(=O)Nc2ccccc21 ZINC000822005554 607184878 /nfs/dbraw/zinc/18/48/78/607184878.db2.gz SKEMOLWIUNFHRU-UHFFFAOYSA-N -1 1 393.407 1.502 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000823131372 607206088 /nfs/dbraw/zinc/20/60/88/607206088.db2.gz GTCMHBDUYKUXJJ-UHFFFAOYSA-N -1 1 394.370 1.706 20 0 GDADMM CC(C)C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1nc2ccccc2[nH]1 ZINC000820055227 607206254 /nfs/dbraw/zinc/20/62/54/607206254.db2.gz GDAPRUDYFYBEHJ-CYBMUJFWSA-N -1 1 380.416 1.238 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000823136309 607206288 /nfs/dbraw/zinc/20/62/88/607206288.db2.gz UXOTXFOKLHWFPQ-UHFFFAOYSA-N -1 1 386.379 1.640 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCCc2cc(Br)ccc21 ZINC000823126914 607209892 /nfs/dbraw/zinc/20/98/92/607209892.db2.gz NPPQHDPWUQVMEV-UHFFFAOYSA-N -1 1 389.217 1.200 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000823126061 607212833 /nfs/dbraw/zinc/21/28/33/607212833.db2.gz GTTRGUQAYJRLNB-GXSJLCMTSA-N -1 1 378.318 1.149 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(Oc2ccncc2)c(Cl)c1 ZINC000823136164 607213167 /nfs/dbraw/zinc/21/31/67/607213167.db2.gz MPISOFJMTTXEMM-UHFFFAOYSA-N -1 1 397.786 1.938 20 0 GDADMM COCCSc1ccc([C@H](C)NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000821694300 607214789 /nfs/dbraw/zinc/21/47/89/607214789.db2.gz HHONLZDKQUQLNG-NSHDSACASA-N -1 1 388.457 1.074 20 0 GDADMM CC(C)(C)OC(=O)NCc1cccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000819939430 607215771 /nfs/dbraw/zinc/21/57/71/607215771.db2.gz BOFLPPSWEXIMBY-UHFFFAOYSA-N -1 1 399.415 1.122 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(Oc2ccc(Cl)nn2)cc1 ZINC000823135939 607217333 /nfs/dbraw/zinc/21/73/33/607217333.db2.gz BGKDUPAACKLRFV-UHFFFAOYSA-N -1 1 398.774 1.333 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000823136039 607224769 /nfs/dbraw/zinc/22/47/69/607224769.db2.gz HBTCAXSVLXCDCU-UHFFFAOYSA-N -1 1 388.804 1.269 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000823599923 607230175 /nfs/dbraw/zinc/23/01/75/607230175.db2.gz APQBHEXAEUBBOB-CQSZACIVSA-N -1 1 385.453 1.527 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000823599923 607230176 /nfs/dbraw/zinc/23/01/76/607230176.db2.gz APQBHEXAEUBBOB-CQSZACIVSA-N -1 1 385.453 1.527 20 0 GDADMM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)n(-c2cc(C)nc(C)n2)n1 ZINC000822151440 607239098 /nfs/dbraw/zinc/23/90/98/607239098.db2.gz BLFPKLMWHOPOSC-UHFFFAOYSA-N -1 1 376.384 1.415 20 0 GDADMM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)n(-c2cc(C)nc(C)n2)n1 ZINC000822151440 607239099 /nfs/dbraw/zinc/23/90/99/607239099.db2.gz BLFPKLMWHOPOSC-UHFFFAOYSA-N -1 1 376.384 1.415 20 0 GDADMM O=S(=O)(NCCOCc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826491707 607818829 /nfs/dbraw/zinc/81/88/29/607818829.db2.gz XBWLWAQHCNNOQM-UHFFFAOYSA-N -1 1 394.844 1.410 20 0 GDADMM O=S(=O)(NCCOCc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826491707 607818830 /nfs/dbraw/zinc/81/88/30/607818830.db2.gz XBWLWAQHCNNOQM-UHFFFAOYSA-N -1 1 394.844 1.410 20 0 GDADMM Cc1ccc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)CC2)cc1Cl ZINC000826291135 607838085 /nfs/dbraw/zinc/83/80/85/607838085.db2.gz QYHOSBHEINQMMG-UHFFFAOYSA-N -1 1 399.846 1.973 20 0 GDADMM Cc1ccc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)CC2)cc1Cl ZINC000826291135 607838086 /nfs/dbraw/zinc/83/80/86/607838086.db2.gz QYHOSBHEINQMMG-UHFFFAOYSA-N -1 1 399.846 1.973 20 0 GDADMM O=S(=O)(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826488558 607853306 /nfs/dbraw/zinc/85/33/06/607853306.db2.gz SUGUVQBFJLJKNE-GLQYFDAESA-N -1 1 393.444 1.632 20 0 GDADMM O=S(=O)(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1cccc(F)c1-c1nnn[n-]1 ZINC000826488108 607853378 /nfs/dbraw/zinc/85/33/78/607853378.db2.gz IFPZTIRYXNXPSK-VQISRLSMSA-N -1 1 393.444 1.632 20 0 GDADMM O=S(=O)(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1cccc(F)c1-c1nn[n-]n1 ZINC000826488108 607853379 /nfs/dbraw/zinc/85/33/79/607853379.db2.gz IFPZTIRYXNXPSK-VQISRLSMSA-N -1 1 393.444 1.632 20 0 GDADMM CO[C@@H]1CC[C@H]2OCCN(CC(=O)Nc3oc(C)c(C)c3-c3nn[n-]n3)[C@H]2C1 ZINC000826146531 607859019 /nfs/dbraw/zinc/85/90/19/607859019.db2.gz XKAFPMJTQAXFQS-HZSPNIEDSA-N -1 1 390.444 1.283 20 0 GDADMM Cn1c2ccc(S(=O)(=O)Oc3cccc(F)c3-c3nnn[n-]3)cc2oc1=O ZINC000826354611 607867767 /nfs/dbraw/zinc/86/77/67/607867767.db2.gz MUDKTZVSNSRWOL-UHFFFAOYSA-N -1 1 391.340 1.218 20 0 GDADMM Cn1c2ccc(S(=O)(=O)Oc3cccc(F)c3-c3nn[n-]n3)cc2oc1=O ZINC000826354611 607867768 /nfs/dbraw/zinc/86/77/68/607867768.db2.gz MUDKTZVSNSRWOL-UHFFFAOYSA-N -1 1 391.340 1.218 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCc2cccc(N(C)C)n2)cc1-c1nn[n-]n1 ZINC000826229500 607876246 /nfs/dbraw/zinc/87/62/46/607876246.db2.gz HBDYSQLBFJJQRQ-UHFFFAOYSA-N -1 1 386.441 1.080 20 0 GDADMM CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(-c2nn[n-]n2)n1 ZINC000825938020 607899126 /nfs/dbraw/zinc/89/91/26/607899126.db2.gz MPIBTRXGZBBHAB-UHFFFAOYSA-N -1 1 388.476 1.251 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CCC[C@@H]3COCC[C@@H]32)cc1-c1nn[n-]n1 ZINC000826229917 607928941 /nfs/dbraw/zinc/92/89/41/607928941.db2.gz WRTFMQRIPBRUOC-SKDRFNHKSA-N -1 1 376.442 1.330 20 0 GDADMM O=C([O-])c1ccc(O)c(S(=O)(=O)N2CCc3ccc(-c4nn[nH]n4)cc32)c1 ZINC000826461858 607933743 /nfs/dbraw/zinc/93/37/43/607933743.db2.gz IREVAFJHJBIUNX-UHFFFAOYSA-N -1 1 387.377 1.022 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc(N2C(=O)CCC2=O)cc1 ZINC000826451211 607997733 /nfs/dbraw/zinc/99/77/33/607997733.db2.gz VXDYBSMJTCFTLF-UHFFFAOYSA-N -1 1 378.348 1.478 20 0 GDADMM Cc1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc(S(N)(=O)=O)c1C ZINC000826260443 607999554 /nfs/dbraw/zinc/99/95/54/607999554.db2.gz OCCTZCWBWBNORG-UHFFFAOYSA-N -1 1 388.409 1.089 20 0 GDADMM O=S(=O)([N-]c1ncc(Br)cc1F)c1cccc(-c2nn[nH]n2)c1 ZINC000826493407 608012579 /nfs/dbraw/zinc/01/25/79/608012579.db2.gz JHMVYKPCYQVWKV-UHFFFAOYSA-N -1 1 399.205 1.964 20 0 GDADMM O=C(Cn1ccnc1-c1nnn[n-]1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000826424923 608013679 /nfs/dbraw/zinc/01/36/79/608013679.db2.gz IRJPPACFFFXVTE-CYBMUJFWSA-N -1 1 381.396 1.198 20 0 GDADMM O=C(Cn1ccnc1-c1nn[n-]n1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000826424923 608013680 /nfs/dbraw/zinc/01/36/80/608013680.db2.gz IRJPPACFFFXVTE-CYBMUJFWSA-N -1 1 381.396 1.198 20 0 GDADMM CC[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C[C@H]1O ZINC000825212539 608025590 /nfs/dbraw/zinc/02/55/90/608025590.db2.gz SBPPIAAGYQSNBW-GZMMTYOYSA-N -1 1 391.375 1.277 20 0 GDADMM O=C(CN1CCC[C@H]1C(F)F)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000826411394 608045357 /nfs/dbraw/zinc/04/53/57/608045357.db2.gz WSRLHUWLIFYDFG-ZDUSSCGKSA-N -1 1 388.382 1.720 20 0 GDADMM O=C(CN1CCC[C@H]1C(F)F)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000826411394 608045358 /nfs/dbraw/zinc/04/53/58/608045358.db2.gz WSRLHUWLIFYDFG-ZDUSSCGKSA-N -1 1 388.382 1.720 20 0 GDADMM C[C@@H]1CN(c2c3ccccc3nnc2-c2nnn[n-]2)CCN1CC(F)(F)F ZINC000824992150 608100431 /nfs/dbraw/zinc/10/04/31/608100431.db2.gz KJXSIRAMQCMSKL-SNVBAGLBSA-N -1 1 378.362 1.883 20 0 GDADMM C[C@@H]1CN(c2c3ccccc3nnc2-c2nn[n-]n2)CCN1CC(F)(F)F ZINC000824992150 608100432 /nfs/dbraw/zinc/10/04/32/608100432.db2.gz KJXSIRAMQCMSKL-SNVBAGLBSA-N -1 1 378.362 1.883 20 0 GDADMM C[C@@H]1C[C@H](C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)CCC1=O ZINC000824864543 608117157 /nfs/dbraw/zinc/11/71/57/608117157.db2.gz BUEBHXWCRQFZEW-DGCLKSJQSA-N -1 1 399.455 1.386 20 0 GDADMM CN(C[C@@H]1CC=CCC1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825901762 608143096 /nfs/dbraw/zinc/14/30/96/608143096.db2.gz KOCPAXKMBPDGNO-GFCCVEGCSA-N -1 1 386.460 1.571 20 0 GDADMM CN(C[C@@H]1CC=CCC1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825901762 608143097 /nfs/dbraw/zinc/14/30/97/608143097.db2.gz KOCPAXKMBPDGNO-GFCCVEGCSA-N -1 1 386.460 1.571 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)O[C@@H](C)CN1CCOCC1 ZINC000826340674 608143110 /nfs/dbraw/zinc/14/31/10/608143110.db2.gz HCGNNIPWTATJOH-LBPRGKRZSA-N -1 1 386.412 1.436 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)O[C@@H](C)CN1CCOCC1 ZINC000826340674 608143111 /nfs/dbraw/zinc/14/31/11/608143111.db2.gz HCGNNIPWTATJOH-LBPRGKRZSA-N -1 1 386.412 1.436 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000826340727 608168786 /nfs/dbraw/zinc/16/87/86/608168786.db2.gz IOZSZURSIYMJNZ-BFUOFWGJSA-N -1 1 398.423 1.627 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000826340727 608168788 /nfs/dbraw/zinc/16/87/88/608168788.db2.gz IOZSZURSIYMJNZ-BFUOFWGJSA-N -1 1 398.423 1.627 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000826340728 608169193 /nfs/dbraw/zinc/16/91/93/608169193.db2.gz IOZSZURSIYMJNZ-DJJJIMSYSA-N -1 1 398.423 1.627 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000826340728 608169194 /nfs/dbraw/zinc/16/91/94/608169194.db2.gz IOZSZURSIYMJNZ-DJJJIMSYSA-N -1 1 398.423 1.627 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000826472822 608169518 /nfs/dbraw/zinc/16/95/18/608169518.db2.gz XXXGUIKVBCFCPY-OAHLLOKOSA-N -1 1 395.467 1.517 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000826472822 608169519 /nfs/dbraw/zinc/16/95/19/608169519.db2.gz XXXGUIKVBCFCPY-OAHLLOKOSA-N -1 1 395.467 1.517 20 0 GDADMM O=S(=O)(CCNc1snc(Cl)c1-c1nnn[n-]1)NCc1ccccc1 ZINC000826485312 608177946 /nfs/dbraw/zinc/17/79/46/608177946.db2.gz KYHYFVKDRTYAGP-UHFFFAOYSA-N -1 1 399.889 1.508 20 0 GDADMM O=S(=O)(CCNc1snc(Cl)c1-c1nn[n-]n1)NCc1ccccc1 ZINC000826485312 608177948 /nfs/dbraw/zinc/17/79/48/608177948.db2.gz KYHYFVKDRTYAGP-UHFFFAOYSA-N -1 1 399.889 1.508 20 0 GDADMM O=C(N[C@H](C(=O)Nc1cn[nH]c1)c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826425938 608203582 /nfs/dbraw/zinc/20/35/82/608203582.db2.gz AHCRILFPONJPFZ-HNNXBMFYSA-N -1 1 389.379 1.095 20 0 GDADMM O=C(N[C@H](C(=O)Nc1cn[nH]c1)c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826425938 608203584 /nfs/dbraw/zinc/20/35/84/608203584.db2.gz AHCRILFPONJPFZ-HNNXBMFYSA-N -1 1 389.379 1.095 20 0 GDADMM Cc1ccc(OCCC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c(C)c1 ZINC000826292195 608213269 /nfs/dbraw/zinc/21/32/69/608213269.db2.gz LKGZSPOGNHGMIK-UHFFFAOYSA-N -1 1 398.471 1.649 20 0 GDADMM Cc1ccc(OCCC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c(C)c1 ZINC000826292195 608213271 /nfs/dbraw/zinc/21/32/71/608213271.db2.gz LKGZSPOGNHGMIK-UHFFFAOYSA-N -1 1 398.471 1.649 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccc(-c2cnco2)cc1 ZINC000825935293 608213435 /nfs/dbraw/zinc/21/34/35/608213435.db2.gz ZEPQABQOMWPPES-UHFFFAOYSA-N -1 1 393.411 1.532 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccc(-c2cnco2)cc1 ZINC000825935293 608213436 /nfs/dbraw/zinc/21/34/36/608213436.db2.gz ZEPQABQOMWPPES-UHFFFAOYSA-N -1 1 393.411 1.532 20 0 GDADMM Cc1nn(-c2ccccc2)c(CN2CC[S@](=O)[C@@H](C)[C@H]2C)c1-c1nn[n-]n1 ZINC000826332306 608315092 /nfs/dbraw/zinc/31/50/92/608315092.db2.gz PQVGBYQROSMUJA-VXKZXEGRSA-N -1 1 385.497 1.702 20 0 GDADMM CC(C)(C)c1cc(NC(=O)C2CCS(=O)(=O)CC2)c(-c2nnn[n-]2)s1 ZINC000824129660 608346122 /nfs/dbraw/zinc/34/61/22/608346122.db2.gz DFLFVLDJNSIPCG-UHFFFAOYSA-N -1 1 383.499 1.989 20 0 GDADMM CC(C)(C)c1cc(NC(=O)C2CCS(=O)(=O)CC2)c(-c2nn[n-]n2)s1 ZINC000824129660 608346124 /nfs/dbraw/zinc/34/61/24/608346124.db2.gz DFLFVLDJNSIPCG-UHFFFAOYSA-N -1 1 383.499 1.989 20 0 GDADMM C[C@H]1CCC[C@@H](CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000824926653 608349577 /nfs/dbraw/zinc/34/95/77/608349577.db2.gz KQQYEXFDYPBABZ-NWDGAFQWSA-N -1 1 388.476 1.699 20 0 GDADMM C[C@H]1CCC[C@@H](CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000824926653 608349579 /nfs/dbraw/zinc/34/95/79/608349579.db2.gz KQQYEXFDYPBABZ-NWDGAFQWSA-N -1 1 388.476 1.699 20 0 GDADMM CC[C@@H]1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CC1 ZINC000825194367 608353398 /nfs/dbraw/zinc/35/33/98/608353398.db2.gz PXWDCUFTQZGMBV-GFCCVEGCSA-N -1 1 388.476 1.795 20 0 GDADMM CC[C@@H]1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CC1 ZINC000825194367 608353400 /nfs/dbraw/zinc/35/34/00/608353400.db2.gz PXWDCUFTQZGMBV-GFCCVEGCSA-N -1 1 388.476 1.795 20 0 GDADMM CC[C@H]1CCC[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000825193823 608354706 /nfs/dbraw/zinc/35/47/06/608354706.db2.gz NXWGXFQZVJAGEH-RYUDHWBXSA-N -1 1 388.476 1.842 20 0 GDADMM CC[C@H]1CCC[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000825193823 608354707 /nfs/dbraw/zinc/35/47/07/608354707.db2.gz NXWGXFQZVJAGEH-RYUDHWBXSA-N -1 1 388.476 1.842 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCC23CCC(CC2)C3)n1 ZINC000824148104 608357819 /nfs/dbraw/zinc/35/78/19/608357819.db2.gz MQEAVOZONNNGIS-UHFFFAOYSA-N -1 1 386.460 1.453 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCC23CCC(CC2)C3)n1 ZINC000824148104 608357821 /nfs/dbraw/zinc/35/78/21/608357821.db2.gz MQEAVOZONNNGIS-UHFFFAOYSA-N -1 1 386.460 1.453 20 0 GDADMM O=C(CCNc1ccc(-c2nnn[n-]2)nn1)Nc1ccc(Br)cc1 ZINC000826408236 608401984 /nfs/dbraw/zinc/40/19/84/608401984.db2.gz WQXLZGNISIHPDT-UHFFFAOYSA-N -1 1 389.217 1.860 20 0 GDADMM O=C(CCNc1ccc(-c2nn[n-]n2)nn1)Nc1ccc(Br)cc1 ZINC000826408236 608401986 /nfs/dbraw/zinc/40/19/86/608401986.db2.gz WQXLZGNISIHPDT-UHFFFAOYSA-N -1 1 389.217 1.860 20 0 GDADMM NC(=O)[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1cccc(Br)c1 ZINC000826388849 608407373 /nfs/dbraw/zinc/40/73/73/608407373.db2.gz KLIJJZQIZMMIEF-NSHDSACASA-N -1 1 375.190 1.058 20 0 GDADMM NC(=O)[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1cccc(Br)c1 ZINC000826388849 608407375 /nfs/dbraw/zinc/40/73/75/608407375.db2.gz KLIJJZQIZMMIEF-NSHDSACASA-N -1 1 375.190 1.058 20 0 GDADMM O[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826507894 608436011 /nfs/dbraw/zinc/43/60/11/608436011.db2.gz YARMNRZMKUWWHW-YPMHNXCESA-N -1 1 377.330 1.988 20 0 GDADMM O[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826507894 608436013 /nfs/dbraw/zinc/43/60/13/608436013.db2.gz YARMNRZMKUWWHW-YPMHNXCESA-N -1 1 377.330 1.988 20 0 GDADMM CC(C)(CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccncc1 ZINC000824158168 608562015 /nfs/dbraw/zinc/56/20/15/608562015.db2.gz SVSYOPPJWADQPM-UHFFFAOYSA-N -1 1 376.417 1.657 20 0 GDADMM CC(C)(CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccncc1 ZINC000824158168 608562017 /nfs/dbraw/zinc/56/20/17/608562017.db2.gz SVSYOPPJWADQPM-UHFFFAOYSA-N -1 1 376.417 1.657 20 0 GDADMM Cc1nc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)ccc1[C@@H](C)O ZINC000826326491 608567184 /nfs/dbraw/zinc/56/71/84/608567184.db2.gz RLEFDSWIRBUHAN-SNVBAGLBSA-N -1 1 392.416 1.241 20 0 GDADMM Cc1nc(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)ccc1[C@@H](C)O ZINC000826326491 608567186 /nfs/dbraw/zinc/56/71/86/608567186.db2.gz RLEFDSWIRBUHAN-SNVBAGLBSA-N -1 1 392.416 1.241 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(Oc2ccc(-c3ccccc3)nc2)n(C)c1=O ZINC000826355887 608796525 /nfs/dbraw/zinc/79/65/25/608796525.db2.gz RBUMHFOUFUBKJW-UHFFFAOYSA-N -1 1 377.364 1.118 20 0 GDADMM Cc1cc(C)cc(C2=CCN(c3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)CC2)c1 ZINC000826264362 608799586 /nfs/dbraw/zinc/79/95/86/608799586.db2.gz LPUZVZYFSVXUQD-UHFFFAOYSA-N -1 1 393.451 1.175 20 0 GDADMM CN(C)c1ccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000825929200 609151235 /nfs/dbraw/zinc/15/12/35/609151235.db2.gz CKBAJKWHWTTYMB-UHFFFAOYSA-N -1 1 384.448 1.335 20 0 GDADMM CN(C)c1ccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000825929200 609151236 /nfs/dbraw/zinc/15/12/36/609151236.db2.gz CKBAJKWHWTTYMB-UHFFFAOYSA-N -1 1 384.448 1.335 20 0 GDADMM CC(C)C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCO1 ZINC000824242699 609181060 /nfs/dbraw/zinc/18/10/60/609181060.db2.gz AJFMVXJIAHBWRH-STQMWFEESA-N -1 1 383.449 1.878 20 0 GDADMM C[C@@H]1CCCC[C@H]1CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824938145 609300136 /nfs/dbraw/zinc/30/01/36/609300136.db2.gz UACUQYQQQNRFKT-NEPJUHHUSA-N -1 1 375.481 1.572 20 0 GDADMM C[C@@H]1CCCC[C@H]1CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824938145 609300138 /nfs/dbraw/zinc/30/01/38/609300138.db2.gz UACUQYQQQNRFKT-NEPJUHHUSA-N -1 1 375.481 1.572 20 0 GDADMM Cc1nc([C@H](C)NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cs1 ZINC000826323638 609303309 /nfs/dbraw/zinc/30/33/09/609303309.db2.gz LTJXOBIHKSMRQG-QMMMGPOBSA-N -1 1 390.477 1.272 20 0 GDADMM Cc1nc([C@H](C)NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cs1 ZINC000826323638 609303311 /nfs/dbraw/zinc/30/33/11/609303311.db2.gz LTJXOBIHKSMRQG-QMMMGPOBSA-N -1 1 390.477 1.272 20 0 GDADMM Cc1c[nH]cc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)c1=O ZINC000826319072 609313507 /nfs/dbraw/zinc/31/35/07/609313507.db2.gz NHSZKSQOPDHGKA-UHFFFAOYSA-N -1 1 380.343 1.441 20 0 GDADMM CC(C)Oc1ncccc1OS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824337551 609317742 /nfs/dbraw/zinc/31/77/42/609317742.db2.gz AGWYCMKYQUADPC-UHFFFAOYSA-N -1 1 379.373 1.956 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@H](OC(F)F)C1 ZINC000826495130 609318798 /nfs/dbraw/zinc/31/87/98/609318798.db2.gz DKMJIQWODFKGFF-QMMMGPOBSA-N -1 1 377.348 1.398 20 0 GDADMM COCC[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(C)o1 ZINC000826154683 609334509 /nfs/dbraw/zinc/33/45/09/609334509.db2.gz VOJHXTVAYJWEDK-LBPRGKRZSA-N -1 1 378.414 1.219 20 0 GDADMM COCC[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(C)o1 ZINC000826154683 609334511 /nfs/dbraw/zinc/33/45/11/609334511.db2.gz VOJHXTVAYJWEDK-LBPRGKRZSA-N -1 1 378.414 1.219 20 0 GDADMM O=C(NCc1ccco1)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826443199 609354213 /nfs/dbraw/zinc/35/42/13/609354213.db2.gz FMWHPHLOZZAHMS-UHFFFAOYSA-N -1 1 396.342 1.039 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N1CCC(CO)CC1 ZINC000826458532 609357420 /nfs/dbraw/zinc/35/74/20/609357420.db2.gz UDFCTCKOBRLMDV-UHFFFAOYSA-N -1 1 386.391 1.428 20 0 GDADMM C[C@@](O)(CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C1CC1 ZINC000824670614 609360898 /nfs/dbraw/zinc/36/08/98/609360898.db2.gz SJPVCKQDQLTMHB-QGZVFWFLSA-N -1 1 386.391 1.474 20 0 GDADMM CN(C(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C1CCC1 ZINC000825812904 609365994 /nfs/dbraw/zinc/36/59/94/609365994.db2.gz XFGZVEWCWLXYRS-UHFFFAOYSA-N -1 1 384.375 1.141 20 0 GDADMM CC(C)(C)[C@H]1CCc2nc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)sc2C1 ZINC000824080123 609404185 /nfs/dbraw/zinc/40/41/85/609404185.db2.gz UXIYFJPMGFRVHP-VIFPVBQESA-N -1 1 387.473 1.704 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCCCC(=O)OCc2ccccc2)n1 ZINC000826357267 609406567 /nfs/dbraw/zinc/40/65/67/609406567.db2.gz YAJROCFBSARAQK-UHFFFAOYSA-N -1 1 398.427 1.635 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCCCC(=O)OCc2ccccc2)n1 ZINC000826357267 609406569 /nfs/dbraw/zinc/40/65/69/609406569.db2.gz YAJROCFBSARAQK-UHFFFAOYSA-N -1 1 398.427 1.635 20 0 GDADMM Cc1cc(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)cc2n[nH]cc21 ZINC000826269917 609497106 /nfs/dbraw/zinc/49/71/06/609497106.db2.gz BUHSDUXELOZSIH-UHFFFAOYSA-N -1 1 381.404 1.111 20 0 GDADMM Cc1cc(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)cc2n[nH]cc21 ZINC000826269917 609497107 /nfs/dbraw/zinc/49/71/07/609497107.db2.gz BUHSDUXELOZSIH-UHFFFAOYSA-N -1 1 381.404 1.111 20 0 GDADMM O=C([O-])Cc1cccc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)c1 ZINC000826461521 609528963 /nfs/dbraw/zinc/52/89/63/609528963.db2.gz YENJPHIEJPVXBJ-UHFFFAOYSA-N -1 1 393.812 1.948 20 0 GDADMM O=S(=O)(NCCc1ccc(F)c(F)c1F)c1ccc(-c2nnn[n-]2)nc1 ZINC000826491499 609611337 /nfs/dbraw/zinc/61/13/37/609611337.db2.gz MCWBLVJZFOREAT-UHFFFAOYSA-N -1 1 384.343 1.200 20 0 GDADMM O=S(=O)(NCCc1ccc(F)c(F)c1F)c1ccc(-c2nn[n-]n2)nc1 ZINC000826491499 609611338 /nfs/dbraw/zinc/61/13/38/609611338.db2.gz MCWBLVJZFOREAT-UHFFFAOYSA-N -1 1 384.343 1.200 20 0 GDADMM CC[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1c(OC)nn2cc(Br)cnc12 ZINC000916086169 660184568 /nfs/dbraw/zinc/18/45/68/660184568.db2.gz XDXIZSTWVRYGKS-BDAKNGLRSA-N -1 1 389.275 1.825 20 0 GDADMM CS(=O)(=O)c1n[n-]c(NC(=O)c2cc(Br)cc3cccnc32)n1 ZINC000534026041 650217555 /nfs/dbraw/zinc/21/75/55/650217555.db2.gz VLCPBKBWWURWRC-UHFFFAOYSA-N -1 1 396.226 1.771 20 0 GDADMM CS(=O)(=O)c1nnc(NC(=O)c2cc(Br)cc3cccnc32)[n-]1 ZINC000534026041 650217558 /nfs/dbraw/zinc/21/75/58/650217558.db2.gz VLCPBKBWWURWRC-UHFFFAOYSA-N -1 1 396.226 1.771 20 0 GDADMM COc1cc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)sc1Br ZINC000534761141 650230124 /nfs/dbraw/zinc/23/01/24/650230124.db2.gz WQSOSHZDGKEDRQ-UHFFFAOYSA-N -1 1 381.233 1.293 20 0 GDADMM COc1cc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)sc1Br ZINC000534761141 650230133 /nfs/dbraw/zinc/23/01/33/650230133.db2.gz WQSOSHZDGKEDRQ-UHFFFAOYSA-N -1 1 381.233 1.293 20 0 GDADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)c(S(C)(=O)=O)c2)c1 ZINC000536199643 650267080 /nfs/dbraw/zinc/26/70/80/650267080.db2.gz XAANSLNPHRYFPJ-UHFFFAOYSA-N -1 1 383.447 1.986 20 0 GDADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](C)CCCO)c(OC)c1 ZINC000536411739 650270527 /nfs/dbraw/zinc/27/05/27/650270527.db2.gz IVZNVFZMRCQNTM-LBPRGKRZSA-N -1 1 394.515 1.286 20 0 GDADMM 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/nfs/dbraw/zinc/95/39/13/659953913.db2.gz JVTZTMVJFBTUIA-GFCCVEGCSA-N -1 1 385.258 1.741 20 0 GDADMM CC(=O)N1CCC(NC(=O)COC(=O)c2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000909863845 659957343 /nfs/dbraw/zinc/95/73/43/659957343.db2.gz ZHPPWVSIVYWNRL-UHFFFAOYSA-N -1 1 389.235 1.983 20 0 GDADMM CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)c2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000909863390 659957357 /nfs/dbraw/zinc/95/73/57/659957357.db2.gz SSSSTLLMNIGWGI-VIFPVBQESA-N -1 1 389.235 1.935 20 0 GDADMM C[C@H](CN1CCOCC1)C(=O)N[C@@H](C(=O)[O-])c1ccccc1Br ZINC000909953065 659960305 /nfs/dbraw/zinc/96/03/05/659960305.db2.gz CPURPBAKSCUAJT-BXUZGUMPSA-N -1 1 385.258 1.659 20 0 GDADMM CN1CCC[C@H]1C(=O)N[C@]1(C(=O)[O-])CCc2cc(Br)ccc2C1 ZINC000910229969 659966437 /nfs/dbraw/zinc/96/64/37/659966437.db2.gz UEPFVSWSAQWKHM-WMLDXEAASA-N -1 1 381.270 1.972 20 0 GDADMM COC(=O)c1c(C)[nH]nc1S(=O)(=O)Nc1cc(F)cc(C(=O)[O-])c1F ZINC000912557531 660043177 /nfs/dbraw/zinc/04/31/77/660043177.db2.gz CRFSCJCQDAZGCW-UHFFFAOYSA-N -1 1 375.309 1.282 20 0 GDADMM COC(=O)c1c[n-]nc1S(=O)(=O)[N-]c1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000912558534 660043211 /nfs/dbraw/zinc/04/32/11/660043211.db2.gz PHEQFEVAKRYHDP-UHFFFAOYSA-N -1 1 381.801 1.836 20 0 GDADMM CSCC[C@H](NC(=O)c1sc(Br)nc1C)c1nn[n-]n1 ZINC000912861954 660057266 /nfs/dbraw/zinc/05/72/66/660057266.db2.gz DOAQXKPCQBTQEN-LURJTMIESA-N -1 1 377.293 1.951 20 0 GDADMM C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913495469 660083437 /nfs/dbraw/zinc/08/34/37/660083437.db2.gz KULFCWMRMYDYBQ-RNCFNFMXSA-N -1 1 398.236 1.880 20 0 GDADMM O=C(c1cc(Cl)cc(F)c1Br)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913499568 660084112 /nfs/dbraw/zinc/08/41/12/660084112.db2.gz WFDVFIJXJPEQNA-VIFPVBQESA-N -1 1 390.600 1.968 20 0 GDADMM COC(=O)[C@H](CC(F)F)[N-]S(=O)(=O)C1(COCc2ccccc2)CC1 ZINC000914305737 660137848 /nfs/dbraw/zinc/13/78/48/660137848.db2.gz ODVYVVORJFGEDP-ZDUSSCGKSA-N -1 1 377.409 1.852 20 0 GDADMM COc1nn2cc(Br)cnc2c1S(=O)(=O)[N-]CC=C(C)C ZINC000914427624 660150276 /nfs/dbraw/zinc/15/02/76/660150276.db2.gz RUNPZWHJWZDKAB-UHFFFAOYSA-N -1 1 375.248 1.745 20 0 GDADMM CCc1nc(C[N-]S(=O)(=O)c2c(Br)ccc(OC)c2F)n[nH]1 ZINC000915970443 660181906 /nfs/dbraw/zinc/18/19/06/660181906.db2.gz UWWMMYFWFIXBEO-UHFFFAOYSA-N -1 1 393.238 1.756 20 0 GDADMM CN1CCN(c2cc(C(=O)N[C@@]3(C(=O)[O-])CCc4ccccc43)ccn2)CC1 ZINC000738019798 939056984 /nfs/dbraw/zinc/05/69/84/939056984.db2.gz AFYASALDQGTPPP-NRFANRHFSA-N -1 1 380.448 1.490 20 0 GDADMM CC(C)CN1CCO[C@@H](CNC(=O)N[C@]2(C(=O)[O-])CCc3ccccc32)C1 ZINC000908759089 939315135 /nfs/dbraw/zinc/31/51/35/939315135.db2.gz YGMDSEOHDLZPGR-OXJNMPFZSA-N -1 1 375.469 1.569 20 0 GDADMM CN1CCN(c2cc(CNC(=O)NC3(C(=O)[O-])CCCCCC3)ccn2)CC1 ZINC000908784697 939321448 /nfs/dbraw/zinc/32/14/48/939321448.db2.gz CXEVBSZEOQOMHL-UHFFFAOYSA-N -1 1 389.500 1.810 20 0 GDADMM CC[C@](NC(=O)c1cccc(N2CCN(C)CC2)n1)(C(=O)[O-])c1ccccc1 ZINC000908940735 939358872 /nfs/dbraw/zinc/35/88/72/939358872.db2.gz WVEHGWLMRPTUEL-OAQYLSRUSA-N -1 1 382.464 1.953 20 0 GDADMM CCO[C@@H]1C[C@@](NC(=O)c2cccc(N3CCN(C)CC3)n2)(C(=O)[O-])C1(C)C ZINC000909605850 939722688 /nfs/dbraw/zinc/72/26/88/939722688.db2.gz ZVYRVCGUTXUSLH-FOIQADDNSA-N -1 1 390.484 1.222 20 0 GDADMM CCOc1ccc(C(=O)Cn2nc(CC)c(CC)c(-c3nn[n-]n3)c2=O)cc1 ZINC000736638335 944861955 /nfs/dbraw/zinc/86/19/55/944861955.db2.gz WNEZSNMKLVCDGK-UHFFFAOYSA-N -1 1 382.424 1.830 20 0 GDADMM O=C(c1cc(C2CC2)on1)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001571261142 945422358 /nfs/dbraw/zinc/42/23/58/945422358.db2.gz AZGCILNEBBJUJB-UHFFFAOYSA-N -1 1 385.453 1.752 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H](NC(=O)c3cscn3)C2)n1 ZINC001571261262 945425190 /nfs/dbraw/zinc/42/51/90/945425190.db2.gz CKOAWAXKVUTBRB-SNVBAGLBSA-N -1 1 385.457 1.074 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H](NC(=O)c3cscn3)C2)n1 ZINC001571261262 945425208 /nfs/dbraw/zinc/42/52/08/945425208.db2.gz CKOAWAXKVUTBRB-SNVBAGLBSA-N -1 1 385.457 1.074 20 0 GDADMM C[C@@H](NC(=O)c1ccsn1)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571261511 945428049 /nfs/dbraw/zinc/42/80/49/945428049.db2.gz GNJPOXLDPCBVDN-MNOVXSKESA-N -1 1 385.457 1.148 20 0 GDADMM C[C@@H](NC(=O)c1ccsn1)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571261511 945428053 /nfs/dbraw/zinc/42/80/53/945428053.db2.gz GNJPOXLDPCBVDN-MNOVXSKESA-N -1 1 385.457 1.148 20 0 GDADMM CCc1nc(N[C@@H]2C[C@@H](C)N(C(=O)c3nccs3)C2)cc(-c2nnn[n-]2)n1 ZINC001571261900 945433611 /nfs/dbraw/zinc/43/36/11/945433611.db2.gz LXCLHDVCUVIEQD-NXEZZACHSA-N -1 1 385.457 1.391 20 0 GDADMM CCc1nc(N[C@@H]2C[C@@H](C)N(C(=O)c3nccs3)C2)cc(-c2nn[n-]n2)n1 ZINC001571261900 945433614 /nfs/dbraw/zinc/43/36/14/945433614.db2.gz LXCLHDVCUVIEQD-NXEZZACHSA-N -1 1 385.457 1.391 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N(C)[C@H]2CCN(C(=O)c3ccsn3)C2)n1 ZINC001571262314 945435038 /nfs/dbraw/zinc/43/50/38/945435038.db2.gz OTDDOINPFJELOM-JTQLQIEISA-N -1 1 385.457 1.027 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N(C)[C@H]2CCN(C(=O)c3ccsn3)C2)n1 ZINC001571262314 945435043 /nfs/dbraw/zinc/43/50/43/945435043.db2.gz OTDDOINPFJELOM-JTQLQIEISA-N -1 1 385.457 1.027 20 0 GDADMM Cc1ncsc1C(=O)N[C@H]1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571262994 945447964 /nfs/dbraw/zinc/44/79/64/945447964.db2.gz DZYGKALOLLLOKH-MNOVXSKESA-N -1 1 385.457 1.432 20 0 GDADMM Cc1ncsc1C(=O)N[C@H]1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571262994 945447967 /nfs/dbraw/zinc/44/79/67/945447967.db2.gz DZYGKALOLLLOKH-MNOVXSKESA-N -1 1 385.457 1.432 20 0 GDADMM O=C(NC[C@H]1CCCCCN1c1ccnc(-c2nn[n-]n2)n1)c1cncs1 ZINC001571263144 945451457 /nfs/dbraw/zinc/45/14/57/945451457.db2.gz IRWGEDWVJVNQGV-LLVKDONJSA-N -1 1 385.457 1.292 20 0 GDADMM Cc1nsc(N2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C2CC2)c1-c1nn[n-]n1 ZINC001571265304 945507986 /nfs/dbraw/zinc/50/79/86/945507986.db2.gz GUGQYWYKCXSKLK-FQUUOJAGSA-N -1 1 385.497 1.715 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cncc(Cl)c1 ZINC001571265584 945514665 /nfs/dbraw/zinc/51/46/65/945514665.db2.gz MAUFMZJUYUGBGO-CABZTGNLSA-N -1 1 385.819 1.420 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cncc(Cl)c1 ZINC001571265584 945514672 /nfs/dbraw/zinc/51/46/72/945514672.db2.gz MAUFMZJUYUGBGO-CABZTGNLSA-N -1 1 385.819 1.420 20 0 GDADMM CN(C(=O)c1cc(F)ccc1F)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571267119 945560749 /nfs/dbraw/zinc/56/07/49/945560749.db2.gz JUDNWVCIUMKFCN-NSHDSACASA-N -1 1 386.366 1.286 20 0 GDADMM CN(C(=O)c1cc(F)ccc1F)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571267119 945560757 /nfs/dbraw/zinc/56/07/57/945560757.db2.gz JUDNWVCIUMKFCN-NSHDSACASA-N -1 1 386.366 1.286 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc(F)cc(F)c1 ZINC001571267483 945571387 /nfs/dbraw/zinc/57/13/87/945571387.db2.gz WMDLKSJLVSRYHG-NOZJJQNGSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc(F)cc(F)c1 ZINC001571267483 945571392 /nfs/dbraw/zinc/57/13/92/945571392.db2.gz WMDLKSJLVSRYHG-NOZJJQNGSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc(F)cc(F)c1 ZINC001571267484 945571949 /nfs/dbraw/zinc/57/19/49/945571949.db2.gz WMDLKSJLVSRYHG-RNCFNFMXSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc(F)cc(F)c1 ZINC001571267484 945571953 /nfs/dbraw/zinc/57/19/53/945571953.db2.gz WMDLKSJLVSRYHG-RNCFNFMXSA-N -1 1 386.366 1.650 20 0 GDADMM CC[C@H](C)[C@H](O)CNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000820860146 945574459 /nfs/dbraw/zinc/57/44/59/945574459.db2.gz HUOSAHWVZBZPOU-TVQRCGJNSA-N -1 1 376.486 1.998 20 0 GDADMM O=C([C@H]1CCCOC1)N1CCCC[C@@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001571272690 945669378 /nfs/dbraw/zinc/66/93/78/945669378.db2.gz HQBYEJPHJARCCW-UONOGXRCSA-N -1 1 386.460 1.266 20 0 GDADMM O=C([C@H]1CCCOC1)N1CCCC[C@@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001571272690 945669379 /nfs/dbraw/zinc/66/93/79/945669379.db2.gz HQBYEJPHJARCCW-UONOGXRCSA-N -1 1 386.460 1.266 20 0 GDADMM O=C(CC[C@@H]1CCOC1)N1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571273068 945677932 /nfs/dbraw/zinc/67/79/32/945677932.db2.gz OKZWOVDONCMARW-KGLIPLIRSA-N -1 1 386.460 1.124 20 0 GDADMM O=C(CC[C@@H]1CCOC1)N1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571273068 945677939 /nfs/dbraw/zinc/67/79/39/945677939.db2.gz OKZWOVDONCMARW-KGLIPLIRSA-N -1 1 386.460 1.124 20 0 GDADMM CCc1nc(NCC2CCN(C(=O)[C@@H]3CCCO3)CC2)cc(-c2nnn[n-]2)n1 ZINC001571273182 945682312 /nfs/dbraw/zinc/68/23/12/945682312.db2.gz RYEDHLXHXXSFFL-AWEZNQCLSA-N -1 1 386.460 1.049 20 0 GDADMM CCc1nc(NCC2CCN(C(=O)[C@@H]3CCCO3)CC2)cc(-c2nn[n-]n2)n1 ZINC001571273182 945682322 /nfs/dbraw/zinc/68/23/22/945682322.db2.gz RYEDHLXHXXSFFL-AWEZNQCLSA-N -1 1 386.460 1.049 20 0 GDADMM O=C(C[C@H]1CCCCO1)N[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571273294 945684090 /nfs/dbraw/zinc/68/40/90/945684090.db2.gz UTXRMBUAPJUHOF-MGPQQGTHSA-N -1 1 386.460 1.455 20 0 GDADMM O=C(C[C@H]1CCCCO1)N[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571273294 945684095 /nfs/dbraw/zinc/68/40/95/945684095.db2.gz UTXRMBUAPJUHOF-MGPQQGTHSA-N -1 1 386.460 1.455 20 0 GDADMM COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N1CCC[C@@H]1CN(C)C ZINC000324906313 971169157 /nfs/dbraw/zinc/16/91/57/971169157.db2.gz OYNIDZLHXRRZIF-LLVKDONJSA-N -1 1 376.862 1.762 20 0 GDADMM CCc1ccc(N2CCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CC2)cc1 ZINC000821487526 945707427 /nfs/dbraw/zinc/70/74/27/945707427.db2.gz VSHPAMNJOBHMAG-UHFFFAOYSA-N -1 1 381.444 1.517 20 0 GDADMM CCc1ccc(N2CCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CC2)cc1 ZINC000821487526 945707434 /nfs/dbraw/zinc/70/74/34/945707434.db2.gz VSHPAMNJOBHMAG-UHFFFAOYSA-N -1 1 381.444 1.517 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)[C@@H]1CCCCO1 ZINC001571275885 945718296 /nfs/dbraw/zinc/71/82/96/945718296.db2.gz DYBVZZVFVQBAKT-OBJOEFQTSA-N -1 1 386.460 1.311 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)[C@@H]1CCCCO1 ZINC001571275885 945718308 /nfs/dbraw/zinc/71/83/08/945718308.db2.gz DYBVZZVFVQBAKT-OBJOEFQTSA-N -1 1 386.460 1.311 20 0 GDADMM CN(Cc1ccc(F)cc1)C(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821611071 945744933 /nfs/dbraw/zinc/74/49/33/945744933.db2.gz POECUSLSQXCJMJ-UHFFFAOYSA-N -1 1 375.385 1.883 20 0 GDADMM CN(Cc1ccc(F)cc1)C(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821611071 945744941 /nfs/dbraw/zinc/74/49/41/945744941.db2.gz POECUSLSQXCJMJ-UHFFFAOYSA-N -1 1 375.385 1.883 20 0 GDADMM COCc1nc(C)cc(N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)n1 ZINC000821696147 945830338 /nfs/dbraw/zinc/83/03/38/945830338.db2.gz YLPDXJKVSQMMAT-UHFFFAOYSA-N -1 1 397.443 1.304 20 0 GDADMM C[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1NC(=O)c1cncs1 ZINC001571282336 945838709 /nfs/dbraw/zinc/83/87/09/945838709.db2.gz HPSWPDBXJGFNIF-QMTHXVAHSA-N -1 1 387.444 1.713 20 0 GDADMM Cc1nsc(N2C[C@@H]3CN(C(=O)[C@H]4CC4(C)C)C[C@]3(C)C2)c1-c1nn[n-]n1 ZINC001571284356 945900620 /nfs/dbraw/zinc/90/06/20/945900620.db2.gz OEDGUKAZRARFCX-VNBZBWLYSA-N -1 1 387.513 1.962 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@H]2CCN(C(=O)c3ccc(Cl)[nH]3)C2)n1 ZINC001571284903 945908941 /nfs/dbraw/zinc/90/89/41/945908941.db2.gz WKXQHANRGKVQBX-JTQLQIEISA-N -1 1 387.835 1.298 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@H]2CCN(C(=O)c3ccc(Cl)[nH]3)C2)n1 ZINC001571284903 945908948 /nfs/dbraw/zinc/90/89/48/945908948.db2.gz WKXQHANRGKVQBX-JTQLQIEISA-N -1 1 387.835 1.298 20 0 GDADMM O=C(c1ccc(Cl)[nH]1)N1CCC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571286050 945935785 /nfs/dbraw/zinc/93/57/85/945935785.db2.gz WNYOASMVOJYNIU-JTQLQIEISA-N -1 1 387.835 1.603 20 0 GDADMM O=C(c1ccc(Cl)[nH]1)N1CCC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571286050 945935789 /nfs/dbraw/zinc/93/57/89/945935789.db2.gz WNYOASMVOJYNIU-JTQLQIEISA-N -1 1 387.835 1.603 20 0 GDADMM CC(C)(C)OC(=O)N1CC2(CCCC2)[C@@H]1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001571286983 945964770 /nfs/dbraw/zinc/96/47/70/945964770.db2.gz XHEJGOFOQUNGAL-NSHDSACASA-N -1 1 388.432 1.708 20 0 GDADMM CC(C)(C)OC(=O)N1CC2(CCCC2)[C@@H]1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001571286983 945964782 /nfs/dbraw/zinc/96/47/82/945964782.db2.gz XHEJGOFOQUNGAL-NSHDSACASA-N -1 1 388.432 1.708 20 0 GDADMM CCC(C)(CC)C(=O)N1CCO[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571289505 946009160 /nfs/dbraw/zinc/00/91/60/946009160.db2.gz GDPZAOWWRSIFQB-ZDUSSCGKSA-N -1 1 388.476 1.431 20 0 GDADMM CCC(C)(CC)C(=O)N1CCO[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571289505 946009172 /nfs/dbraw/zinc/00/91/72/946009172.db2.gz GDPZAOWWRSIFQB-ZDUSSCGKSA-N -1 1 388.476 1.431 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)C2CCC(F)CC2)C1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571290031 946025398 /nfs/dbraw/zinc/02/53/98/946025398.db2.gz SXLVRCUTMZDNFM-HSBZDZAISA-N -1 1 388.451 1.470 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)C2CCC(F)CC2)C1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571290031 946025407 /nfs/dbraw/zinc/02/54/07/946025407.db2.gz SXLVRCUTMZDNFM-HSBZDZAISA-N -1 1 388.451 1.470 20 0 GDADMM O=C(c1sccc1Cl)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571290476 946045523 /nfs/dbraw/zinc/04/55/23/946045523.db2.gz GEAYSWVCJOQSRA-IUCAKERBSA-N -1 1 388.844 1.475 20 0 GDADMM O=C(c1sccc1Cl)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571290476 946045535 /nfs/dbraw/zinc/04/55/35/946045535.db2.gz GEAYSWVCJOQSRA-IUCAKERBSA-N -1 1 388.844 1.475 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cccc(F)c1Cl ZINC001571290583 946047450 /nfs/dbraw/zinc/04/74/50/946047450.db2.gz JGPDZRGBFLOIFZ-KYZUINATSA-N -1 1 388.794 1.822 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cccc(F)c1Cl ZINC001571290583 946047464 /nfs/dbraw/zinc/04/74/64/946047464.db2.gz JGPDZRGBFLOIFZ-KYZUINATSA-N -1 1 388.794 1.822 20 0 GDADMM O=C(N[C@H]1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1)c1occc1Cl ZINC001571290802 946058307 /nfs/dbraw/zinc/05/83/07/946058307.db2.gz PQJJFZQXGGIWFN-KOLCDFICSA-N -1 1 388.819 1.914 20 0 GDADMM O=C(N[C@H]1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1)c1occc1Cl ZINC001571290802 946058319 /nfs/dbraw/zinc/05/83/19/946058319.db2.gz PQJJFZQXGGIWFN-KOLCDFICSA-N -1 1 388.819 1.914 20 0 GDADMM O=C(c1cc(Cl)ccc1F)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571290904 946060228 /nfs/dbraw/zinc/06/02/28/946060228.db2.gz UEHWZOGDBTZDIT-JTQLQIEISA-N -1 1 388.794 1.776 20 0 GDADMM O=C(c1cc(Cl)ccc1F)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571290904 946060242 /nfs/dbraw/zinc/06/02/42/946060242.db2.gz UEHWZOGDBTZDIT-JTQLQIEISA-N -1 1 388.794 1.776 20 0 GDADMM C[C@H](Nc1nccnc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)c2ccoc2Cl)C1 ZINC001571290855 946060680 /nfs/dbraw/zinc/06/06/80/946060680.db2.gz QVEKXYCOSPYLDL-VHSXEESVSA-N -1 1 388.819 1.866 20 0 GDADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)c2ccoc2Cl)C1 ZINC001571290855 946060696 /nfs/dbraw/zinc/06/06/96/946060696.db2.gz QVEKXYCOSPYLDL-VHSXEESVSA-N -1 1 388.819 1.866 20 0 GDADMM Cc1noc(C)c1CCCNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000822522210 946110918 /nfs/dbraw/zinc/11/09/18/946110918.db2.gz FMTKBDNFZOAATL-UHFFFAOYSA-N -1 1 399.455 1.871 20 0 GDADMM CC(C)(C)[C@H]1CCCC[C@H]1CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571293709 946113672 /nfs/dbraw/zinc/11/36/72/946113672.db2.gz PRWVPXCRMFRPME-AAEUAGOBSA-N -1 1 389.460 1.098 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)[C@@H]2CC2(F)F)CCN1c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001571294477 946137215 /nfs/dbraw/zinc/13/72/15/946137215.db2.gz IKBMDJVDKIXAIT-VQVTYTSYSA-N -1 1 389.819 1.715 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)[C@@H]2CC2(F)F)CCN1c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001571294477 946137219 /nfs/dbraw/zinc/13/72/19/946137219.db2.gz IKBMDJVDKIXAIT-VQVTYTSYSA-N -1 1 389.819 1.715 20 0 GDADMM CC[C@H](F)C(=O)N1CCO[C@H](CNc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571294908 946148246 /nfs/dbraw/zinc/14/82/46/946148246.db2.gz PSVARUWQVXWHHH-SFYZADRCSA-N -1 1 389.844 1.364 20 0 GDADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NCc1ccc2c(c1)OC(F)(F)O2 ZINC001571295121 946154620 /nfs/dbraw/zinc/15/46/20/946154620.db2.gz UFQATYIWZZXNDE-UHFFFAOYSA-N -1 1 390.306 1.527 20 0 GDADMM O=C(NCC1CC(Nc2nccnc2-c2nnn[n-]2)C1)c1coc(C(F)F)c1 ZINC001571295365 946162459 /nfs/dbraw/zinc/16/24/59/946162459.db2.gz YYEAECFCJTXVJD-UHFFFAOYSA-N -1 1 390.354 1.808 20 0 GDADMM O=C(NCC1CC(Nc2nccnc2-c2nn[n-]n2)C1)c1coc(C(F)F)c1 ZINC001571295365 946162464 /nfs/dbraw/zinc/16/24/64/946162464.db2.gz YYEAECFCJTXVJD-UHFFFAOYSA-N -1 1 390.354 1.808 20 0 GDADMM O=C(CC1CC1)N1C[C@@H](c2ccccc2)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571297957 946201474 /nfs/dbraw/zinc/20/14/74/946201474.db2.gz FLCLMYRRCUJFCW-DOTOQJQBSA-N -1 1 390.451 1.863 20 0 GDADMM O=C(CC1CC1)N1C[C@@H](c2ccccc2)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571297957 946201487 /nfs/dbraw/zinc/20/14/87/946201487.db2.gz FLCLMYRRCUJFCW-DOTOQJQBSA-N -1 1 390.451 1.863 20 0 GDADMM O=C(NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)c1ccc(C2CC2)cc1 ZINC001571297990 946203113 /nfs/dbraw/zinc/20/31/13/946203113.db2.gz GLISYJVRDBJJDU-MRXNPFEDSA-N -1 1 390.451 1.933 20 0 GDADMM O=C(NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)c1ccc(C2CC2)cc1 ZINC001571297990 946203120 /nfs/dbraw/zinc/20/31/20/946203120.db2.gz GLISYJVRDBJJDU-MRXNPFEDSA-N -1 1 390.451 1.933 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@H](C)C2)cc1 ZINC001571298707 946226977 /nfs/dbraw/zinc/22/69/77/946226977.db2.gz KHWSWPNOGDQOSQ-CZUORRHYSA-N -1 1 390.451 1.684 20 0 GDADMM Cc1cccc(C2(C(=O)N[C@H]3C[C@H](Nc4ccnc(-c5nn[n-]n5)n4)C3)CC2)c1 ZINC001571298996 946236098 /nfs/dbraw/zinc/23/60/98/946236098.db2.gz MXMTTXDGAOUULK-SHTZXODSSA-N -1 1 390.451 1.178 20 0 GDADMM O=C(c1cccnc1)N1CC[C@@H](CNc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571299030 946237636 /nfs/dbraw/zinc/23/76/36/946237636.db2.gz HLJBJIAFGRXSSP-VIFPVBQESA-N -1 1 390.860 1.946 20 0 GDADMM O=C(c1cccnc1)N1CC[C@@H](CNc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571299030 946237644 /nfs/dbraw/zinc/23/76/44/946237644.db2.gz HLJBJIAFGRXSSP-VIFPVBQESA-N -1 1 390.860 1.946 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cccc(C2CC2)c1 ZINC001571299057 946237976 /nfs/dbraw/zinc/23/79/76/946237976.db2.gz UAQIQFGRFWFBOO-INIZCTEOSA-N -1 1 390.451 1.933 20 0 GDADMM C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1c1ccccc1 ZINC001571299228 946244268 /nfs/dbraw/zinc/24/42/68/946244268.db2.gz PJWHPWRCZLFJQV-JJAZEVLHSA-N -1 1 390.451 1.401 20 0 GDADMM C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1c1ccccc1 ZINC001571299228 946244276 /nfs/dbraw/zinc/24/42/76/946244276.db2.gz PJWHPWRCZLFJQV-JJAZEVLHSA-N -1 1 390.451 1.401 20 0 GDADMM O=C(c1sccc1Cl)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571299362 946248115 /nfs/dbraw/zinc/24/81/15/946248115.db2.gz LRAAOEVXQOLMQU-VIFPVBQESA-N -1 1 390.860 1.510 20 0 GDADMM O=C(c1cc(Cl)cs1)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571299656 946256263 /nfs/dbraw/zinc/25/62/63/946256263.db2.gz OFFIRNATMHAGLV-JTQLQIEISA-N -1 1 390.860 1.510 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000823027527 946281959 /nfs/dbraw/zinc/28/19/59/946281959.db2.gz VRIUDTCGHHBIRH-UHFFFAOYSA-N -1 1 385.365 1.306 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000823027527 946281969 /nfs/dbraw/zinc/28/19/69/946281969.db2.gz VRIUDTCGHHBIRH-UHFFFAOYSA-N -1 1 385.365 1.306 20 0 GDADMM O=C(c1ccnc(C2CC2)c1)N1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571302628 946309642 /nfs/dbraw/zinc/30/96/42/946309642.db2.gz CZEPJIWFQPUSPI-AWEZNQCLSA-N -1 1 391.439 1.646 20 0 GDADMM O=C(c1ccnc(C2CC2)c1)N1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571302628 946309644 /nfs/dbraw/zinc/30/96/44/946309644.db2.gz CZEPJIWFQPUSPI-AWEZNQCLSA-N -1 1 391.439 1.646 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCN3c3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001571302708 946312784 /nfs/dbraw/zinc/31/27/84/946312784.db2.gz GFUDTSCYSYNUQH-HOCLYGCPSA-N -1 1 391.439 1.101 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCN3c3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571302708 946312799 /nfs/dbraw/zinc/31/27/99/946312799.db2.gz GFUDTSCYSYNUQH-HOCLYGCPSA-N -1 1 391.439 1.101 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc(C2CC2)cn1 ZINC001571302972 946320143 /nfs/dbraw/zinc/32/01/43/946320143.db2.gz GIZQRCGGJBMRAS-BXUZGUMPSA-N -1 1 391.439 1.644 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc(C2CC2)cn1 ZINC001571302972 946320156 /nfs/dbraw/zinc/32/01/56/946320156.db2.gz GIZQRCGGJBMRAS-BXUZGUMPSA-N -1 1 391.439 1.644 20 0 GDADMM O=C(NC1CC1)c1cccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000823144404 946328274 /nfs/dbraw/zinc/32/82/74/946328274.db2.gz GXOHEUMLAZQONS-UHFFFAOYSA-N -1 1 384.421 1.560 20 0 GDADMM Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2nc(C)cc(-c3nnn[n-]3)n2)c1 ZINC001571303392 946334865 /nfs/dbraw/zinc/33/48/65/946334865.db2.gz PUGRLGGFQQZMCC-FMKPAKJESA-N -1 1 391.439 1.208 20 0 GDADMM Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2nc(C)cc(-c3nn[n-]n3)n2)c1 ZINC001571303392 946334877 /nfs/dbraw/zinc/33/48/77/946334877.db2.gz PUGRLGGFQQZMCC-FMKPAKJESA-N -1 1 391.439 1.208 20 0 GDADMM Cc1cnccc1C(=O)N1CC[C@@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571303680 946345894 /nfs/dbraw/zinc/34/58/94/946345894.db2.gz VLMJKSKGNHPIFF-LJQANCHMSA-N -1 1 391.439 1.103 20 0 GDADMM O=C(NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1)[C@@H]1C[C@H]1c1cccnc1 ZINC001571303924 946351569 /nfs/dbraw/zinc/35/15/69/946351569.db2.gz ZLYMXMAJLFRTPG-RIXNLZLZSA-N -1 1 391.439 1.162 20 0 GDADMM O=C(NCC1CC(Nc2cncc(-c3nn[n-]n3)n2)C1)[C@@H]1C[C@H]1c1cccnc1 ZINC001571303924 946351582 /nfs/dbraw/zinc/35/15/82/946351582.db2.gz ZLYMXMAJLFRTPG-RIXNLZLZSA-N -1 1 391.439 1.162 20 0 GDADMM CCc1cncc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cncc(-c3nnn[n-]3)n2)c1 ZINC001571304056 946355789 /nfs/dbraw/zinc/35/57/89/946355789.db2.gz WSFWJQIHZHTPQN-GASCZTMLSA-N -1 1 391.439 1.108 20 0 GDADMM CCc1cncc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cncc(-c3nn[n-]n3)n2)c1 ZINC001571304056 946355798 /nfs/dbraw/zinc/35/57/98/946355798.db2.gz WSFWJQIHZHTPQN-GASCZTMLSA-N -1 1 391.439 1.108 20 0 GDADMM O=C(c1scnc1Cl)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571305400 946360199 /nfs/dbraw/zinc/36/01/99/946360199.db2.gz ABEACBHRUQLLBO-QMMMGPOBSA-N -1 1 391.848 1.483 20 0 GDADMM O=C(c1scnc1Cl)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571305400 946360215 /nfs/dbraw/zinc/36/02/15/946360215.db2.gz ABEACBHRUQLLBO-QMMMGPOBSA-N -1 1 391.848 1.483 20 0 GDADMM Cc1nsc(N2C[C@H](NC(=O)c3csnn3)CC[C@@H]2C)c1-c1nn[n-]n1 ZINC001571305448 946363775 /nfs/dbraw/zinc/36/37/75/946363775.db2.gz BIQLTIRFPKEZCT-IONNQARKSA-N -1 1 391.486 1.270 20 0 GDADMM Cc1nnsc1C(=O)N1CC[C@H](N(C)c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571305526 946367097 /nfs/dbraw/zinc/36/70/97/946367097.db2.gz DDPSPGDSIBSDMV-VIFPVBQESA-N -1 1 391.486 1.142 20 0 GDADMM O=C(NC[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1)c1ccncn1 ZINC001571305656 946368918 /nfs/dbraw/zinc/36/89/18/946368918.db2.gz INHNCUZVNJDQFR-QMMMGPOBSA-N -1 1 391.848 1.023 20 0 GDADMM O=C(NC[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1)c1ccncn1 ZINC001571305656 946368934 /nfs/dbraw/zinc/36/89/34/946368934.db2.gz INHNCUZVNJDQFR-QMMMGPOBSA-N -1 1 391.848 1.023 20 0 GDADMM Cc1nsc(N2C[C@H](NC(=O)[C@H]3CCCCO3)C(C)(C)C2)c1-c1nn[n-]n1 ZINC001571305668 946370567 /nfs/dbraw/zinc/37/05/67/946370567.db2.gz IXPAVKBPMKILII-NEPJUHHUSA-N -1 1 391.501 1.532 20 0 GDADMM Cc1sc(Cl)nc1C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571305858 946378521 /nfs/dbraw/zinc/37/85/21/946378521.db2.gz MCNAIMVCYCSHLD-QMMMGPOBSA-N -1 1 391.848 1.402 20 0 GDADMM Cc1sc(Cl)nc1C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571305858 946378532 /nfs/dbraw/zinc/37/85/32/946378532.db2.gz MCNAIMVCYCSHLD-QMMMGPOBSA-N -1 1 391.848 1.402 20 0 GDADMM O=C(c1ncccn1)N1CCC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571305880 946378768 /nfs/dbraw/zinc/37/87/68/946378768.db2.gz MVLGVRDLJCRQBI-QMMMGPOBSA-N -1 1 391.848 1.483 20 0 GDADMM O=C(c1ncccn1)N1CCC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571305880 946378784 /nfs/dbraw/zinc/37/87/84/946378784.db2.gz MVLGVRDLJCRQBI-QMMMGPOBSA-N -1 1 391.848 1.483 20 0 GDADMM CC[C@@H]1CCO[C@@H]1C(=O)N1CCC(Nc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001571306020 946383981 /nfs/dbraw/zinc/38/39/81/946383981.db2.gz NZMVLPUFBHWLAT-RISCZKNCSA-N -1 1 391.501 1.850 20 0 GDADMM Cc1nsc(N2C[C@@H](NC(=O)[C@@H]3CCCC3(C)C)[C@@H](O)C2)c1-c1nn[n-]n1 ZINC001571306519 946403094 /nfs/dbraw/zinc/40/30/94/946403094.db2.gz WPRXFBXTSNYADO-TUAOUCFPSA-N -1 1 391.501 1.124 20 0 GDADMM CN(C(=O)[C@H]1CCCCC1(F)F)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571307535 946423328 /nfs/dbraw/zinc/42/33/28/946423328.db2.gz DIEYLOSLVUBKRN-NWDGAFQWSA-N -1 1 392.414 1.519 20 0 GDADMM CN(C(=O)[C@H]1CCCCC1(F)F)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571307535 946423338 /nfs/dbraw/zinc/42/33/38/946423338.db2.gz DIEYLOSLVUBKRN-NWDGAFQWSA-N -1 1 392.414 1.519 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)CC1CC(F)(F)C1)c1nccnc1-c1nnn[n-]1 ZINC001571308111 946430763 /nfs/dbraw/zinc/43/07/63/946430763.db2.gz NCYJBLRZOOIRSL-GFCCVEGCSA-N -1 1 392.414 1.519 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)CC1CC(F)(F)C1)c1nccnc1-c1nn[n-]n1 ZINC001571308111 946430772 /nfs/dbraw/zinc/43/07/72/946430772.db2.gz NCYJBLRZOOIRSL-GFCCVEGCSA-N -1 1 392.414 1.519 20 0 GDADMM CCc1nc(N[C@H]2CCN(C(=O)CC3CC(F)(F)C3)C2)cc(-c2nnn[n-]2)n1 ZINC001571308116 946431515 /nfs/dbraw/zinc/43/15/15/946431515.db2.gz NEUFLTRMWNFMJU-NSHDSACASA-N -1 1 392.414 1.667 20 0 GDADMM CCc1nc(N[C@H]2CCN(C(=O)CC3CC(F)(F)C3)C2)cc(-c2nn[n-]n2)n1 ZINC001571308116 946431520 /nfs/dbraw/zinc/43/15/20/946431520.db2.gz NEUFLTRMWNFMJU-NSHDSACASA-N -1 1 392.414 1.667 20 0 GDADMM CCc1nc(N[C@H]2CN(C(=O)C3(C(F)F)CC3)C[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571308262 946431742 /nfs/dbraw/zinc/43/17/42/946431742.db2.gz NMYKXNSZGKOXGB-KOLCDFICSA-N -1 1 392.414 1.523 20 0 GDADMM CCc1nc(N[C@H]2CN(C(=O)C3(C(F)F)CC3)C[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571308262 946431746 /nfs/dbraw/zinc/43/17/46/946431746.db2.gz NMYKXNSZGKOXGB-KOLCDFICSA-N -1 1 392.414 1.523 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](NC(=O)CC3CC(F)(F)C3)C2)n1 ZINC001571308531 946433425 /nfs/dbraw/zinc/43/34/25/946433425.db2.gz QCLSXGIPKSCIOG-LLVKDONJSA-N -1 1 392.414 1.349 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](NC(=O)CC3CC(F)(F)C3)C2)n1 ZINC001571308531 946433429 /nfs/dbraw/zinc/43/34/29/946433429.db2.gz QCLSXGIPKSCIOG-LLVKDONJSA-N -1 1 392.414 1.349 20 0 GDADMM O=C([C@H]1CCC(F)(F)C1)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571309147 946440511 /nfs/dbraw/zinc/44/05/11/946440511.db2.gz XBJUPAJCVZIETL-RYUDHWBXSA-N -1 1 392.414 1.885 20 0 GDADMM O=C([C@H]1CCC(F)(F)C1)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571309147 946440519 /nfs/dbraw/zinc/44/05/19/946440519.db2.gz XBJUPAJCVZIETL-RYUDHWBXSA-N -1 1 392.414 1.885 20 0 GDADMM O=C(NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)c1ccc2c(c1)COC2 ZINC001571309859 946455315 /nfs/dbraw/zinc/45/53/15/946455315.db2.gz MZHGFSYORXRCQH-UHFFFAOYSA-N -1 1 392.423 1.086 20 0 GDADMM O=C(NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)c1ccc2c(c1)COC2 ZINC001571309859 946455325 /nfs/dbraw/zinc/45/53/25/946455325.db2.gz MZHGFSYORXRCQH-UHFFFAOYSA-N -1 1 392.423 1.086 20 0 GDADMM O=C(C[C@@H]1Cc2ccccc2O1)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571309946 946458077 /nfs/dbraw/zinc/45/80/77/946458077.db2.gz QFGBFPWIDDJFCS-KGLIPLIRSA-N -1 1 392.423 1.063 20 0 GDADMM O=C(C[C@@H]1Cc2ccccc2O1)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571309946 946458087 /nfs/dbraw/zinc/45/80/87/946458087.db2.gz QFGBFPWIDDJFCS-KGLIPLIRSA-N -1 1 392.423 1.063 20 0 GDADMM O=C(NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCC1(F)F)C1CCCC1 ZINC001571309965 946459809 /nfs/dbraw/zinc/45/98/09/946459809.db2.gz QSYRDCFSTHDBGV-GFCCVEGCSA-N -1 1 392.414 1.425 20 0 GDADMM O=C(NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCC1(F)F)C1CCCC1 ZINC001571309965 946459817 /nfs/dbraw/zinc/45/98/17/946459817.db2.gz QSYRDCFSTHDBGV-GFCCVEGCSA-N -1 1 392.414 1.425 20 0 GDADMM O=C([C@H]1COc2ccccc21)N1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571310121 946461379 /nfs/dbraw/zinc/46/13/79/946461379.db2.gz VXIYOAVKVNDCMQ-JSGCOSHPSA-N -1 1 392.423 1.236 20 0 GDADMM O=C([C@H]1COc2ccccc21)N1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571310121 946461385 /nfs/dbraw/zinc/46/13/85/946461385.db2.gz VXIYOAVKVNDCMQ-JSGCOSHPSA-N -1 1 392.423 1.236 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)CC1)C1CC(F)(F)C1 ZINC001571310253 946466997 /nfs/dbraw/zinc/46/69/97/946466997.db2.gz ZUONUFPJGXBUAT-UMSPYCQHSA-N -1 1 392.414 1.789 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)CC1)C1CC(F)(F)C1 ZINC001571310253 946467004 /nfs/dbraw/zinc/46/70/04/946467004.db2.gz ZUONUFPJGXBUAT-UMSPYCQHSA-N -1 1 392.414 1.789 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)cc1-c1nn[n-]n1 ZINC001571310554 946476466 /nfs/dbraw/zinc/47/64/66/946476466.db2.gz IYOQSKQYNACRRL-IJRMOIDVSA-N -1 1 392.441 1.102 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571313834 946534166 /nfs/dbraw/zinc/53/41/66/946534166.db2.gz WYUVDBUKBDLRIQ-ZBFHGGJFSA-N -1 1 392.467 1.938 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571313834 946534173 /nfs/dbraw/zinc/53/41/73/946534173.db2.gz WYUVDBUKBDLRIQ-ZBFHGGJFSA-N -1 1 392.467 1.938 20 0 GDADMM O=C(c1ncccc1[O-])N1CC[C@@H]2[C@@H](CCN2c2ccc(-c3nn[nH]n3)cn2)C1 ZINC001571313898 946534950 /nfs/dbraw/zinc/53/49/50/946534950.db2.gz XDNYHXRYXXFNMS-UONOGXRCSA-N -1 1 392.423 1.103 20 0 GDADMM Cc1ccc(CCC(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H]2C)cc1 ZINC001571315406 946553726 /nfs/dbraw/zinc/55/37/26/946553726.db2.gz JOWZBFQKLGATPO-GOEBONIOSA-N -1 1 392.467 1.999 20 0 GDADMM Cc1ccc(CCC(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H]2C)cc1 ZINC001571315406 946553732 /nfs/dbraw/zinc/55/37/32/946553732.db2.gz JOWZBFQKLGATPO-GOEBONIOSA-N -1 1 392.467 1.999 20 0 GDADMM Cc1cc(C)cc(CC(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@@H]2C)c1 ZINC001571316023 946564174 /nfs/dbraw/zinc/56/41/74/946564174.db2.gz SAKZKCXUUMKQHC-HOCLYGCPSA-N -1 1 392.467 1.339 20 0 GDADMM Cc1ccccc1CCC(=O)N1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001571316419 946576841 /nfs/dbraw/zinc/57/68/41/946576841.db2.gz CEIRMILJHQCUIF-GDBMZVCRSA-N -1 1 392.467 1.999 20 0 GDADMM Cc1ccccc1CCC(=O)N1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001571316419 946576848 /nfs/dbraw/zinc/57/68/48/946576848.db2.gz CEIRMILJHQCUIF-GDBMZVCRSA-N -1 1 392.467 1.999 20 0 GDADMM Cc1cccc(CCC(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571316663 946584617 /nfs/dbraw/zinc/58/46/17/946584617.db2.gz JIKXZLZKUUESPY-RHSMWYFYSA-N -1 1 392.467 1.857 20 0 GDADMM Cc1cccc(CCC(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571316663 946584622 /nfs/dbraw/zinc/58/46/22/946584622.db2.gz JIKXZLZKUUESPY-RHSMWYFYSA-N -1 1 392.467 1.857 20 0 GDADMM Cc1ccccc1C[C@@H](C)C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571316953 946593344 /nfs/dbraw/zinc/59/33/44/946593344.db2.gz QKDNTWDHQTWKRB-ZBFHGGJFSA-N -1 1 392.467 1.857 20 0 GDADMM Cc1ccccc1C[C@@H](C)C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571316953 946593356 /nfs/dbraw/zinc/59/33/56/946593356.db2.gz QKDNTWDHQTWKRB-ZBFHGGJFSA-N -1 1 392.467 1.857 20 0 GDADMM Cc1ccccc1CC(=O)N1CC[C@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571317236 946604984 /nfs/dbraw/zinc/60/49/84/946604984.db2.gz YOXPYTDDVDXCHD-OAHLLOKOSA-N -1 1 392.467 1.493 20 0 GDADMM Cc1ccccc1CC(=O)N1CC[C@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571317236 946604989 /nfs/dbraw/zinc/60/49/89/946604989.db2.gz YOXPYTDDVDXCHD-OAHLLOKOSA-N -1 1 392.467 1.493 20 0 GDADMM CN(C(=O)Cc1ccc[nH]1)[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571317344 946607325 /nfs/dbraw/zinc/60/73/25/946607325.db2.gz DMTPLAZTVXJQEP-SNVBAGLBSA-N -1 1 392.876 1.585 20 0 GDADMM CN(C(=O)Cc1ccc[nH]1)[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571317344 946607330 /nfs/dbraw/zinc/60/73/30/946607330.db2.gz DMTPLAZTVXJQEP-SNVBAGLBSA-N -1 1 392.876 1.585 20 0 GDADMM CC(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC[C@@H]1c1ccc(F)cc1 ZINC001573537845 946757891 /nfs/dbraw/zinc/75/78/91/946757891.db2.gz LMVKBSNLTNCSAN-GDBMZVCRSA-N -1 1 382.403 1.294 20 0 GDADMM CC(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC[C@@H]1c1ccc(F)cc1 ZINC001573537845 946757900 /nfs/dbraw/zinc/75/79/00/946757900.db2.gz LMVKBSNLTNCSAN-GDBMZVCRSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCCc1ccsc1 ZINC000825000156 947034937 /nfs/dbraw/zinc/03/49/37/947034937.db2.gz NFYGQJMQVAWTEX-ZDUSSCGKSA-N -1 1 398.496 1.778 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCCc1ccsc1 ZINC000825000156 947034954 /nfs/dbraw/zinc/03/49/54/947034954.db2.gz NFYGQJMQVAWTEX-ZDUSSCGKSA-N -1 1 398.496 1.778 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)Nc2c(C)cc(C)cc2C)c1-c1nn[n-]n1 ZINC000825565616 947225441 /nfs/dbraw/zinc/22/54/41/947225441.db2.gz WQIPHDWAQRDWMO-UHFFFAOYSA-N -1 1 383.412 1.804 20 0 GDADMM CCOC(=O)c1cnn(Cc2nc(CCc3ccccc3)no2)c1-c1nn[n-]n1 ZINC000825570663 947232261 /nfs/dbraw/zinc/23/22/61/947232261.db2.gz LYZCIDSGYKZSGC-UHFFFAOYSA-N -1 1 394.395 1.456 20 0 GDADMM C=C/C(C)=C\CC(=O)NCC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001573316949 947288066 /nfs/dbraw/zinc/28/80/66/947288066.db2.gz JVCZHEJUBXTERV-RZAHBXAWSA-N -1 1 382.472 1.758 20 0 GDADMM C=C/C(C)=C\CC(=O)NCC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001573316949 947288076 /nfs/dbraw/zinc/28/80/76/947288076.db2.gz JVCZHEJUBXTERV-RZAHBXAWSA-N -1 1 382.472 1.758 20 0 GDADMM C=C/C(C)=C/CC(=O)N1CCC[C@@H]2[C@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001573317357 947297045 /nfs/dbraw/zinc/29/70/45/947297045.db2.gz NYQXNGFYFBUEDC-SKRDGDKOSA-N -1 1 380.456 1.749 20 0 GDADMM C=C/C(C)=C/CC(=O)N1CCC[C@@H]2[C@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001573317357 947297058 /nfs/dbraw/zinc/29/70/58/947297058.db2.gz NYQXNGFYFBUEDC-SKRDGDKOSA-N -1 1 380.456 1.749 20 0 GDADMM CCc1ccc2c(c1)[C@H](CCNC(=O)Cc1noc(C)c1-c1nnn[n-]1)C(=O)N2 ZINC000825716892 947298028 /nfs/dbraw/zinc/29/80/28/947298028.db2.gz CJPJBWQIHMNWCC-LBPRGKRZSA-N -1 1 395.423 1.510 20 0 GDADMM CCc1ccc2c(c1)[C@H](CCNC(=O)Cc1noc(C)c1-c1nn[n-]n1)C(=O)N2 ZINC000825716892 947298036 /nfs/dbraw/zinc/29/80/36/947298036.db2.gz CJPJBWQIHMNWCC-LBPRGKRZSA-N -1 1 395.423 1.510 20 0 GDADMM C[C@H](C(=O)N(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)C(F)(F)F ZINC001573592155 947330404 /nfs/dbraw/zinc/33/04/04/947330404.db2.gz ANUMUGUOGKABPH-LDYMZIIASA-N -1 1 384.366 1.504 20 0 GDADMM C[C@H](C(=O)N(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)C(F)(F)F ZINC001573592155 947330419 /nfs/dbraw/zinc/33/04/19/947330419.db2.gz ANUMUGUOGKABPH-LDYMZIIASA-N -1 1 384.366 1.504 20 0 GDADMM C[C@H](C(=O)N(C)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1cccs1 ZINC001573593391 947369870 /nfs/dbraw/zinc/36/98/70/947369870.db2.gz SOUPXBISHIXIJB-RYUDHWBXSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@H](C(=O)N(C)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1cccs1 ZINC001573593391 947369884 /nfs/dbraw/zinc/36/98/84/947369884.db2.gz SOUPXBISHIXIJB-RYUDHWBXSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@H](C(=O)N(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)C(F)(F)F ZINC001573593479 947372067 /nfs/dbraw/zinc/37/20/67/947372067.db2.gz JVCVUTZIDLNNLV-LDYMZIIASA-N -1 1 384.366 1.504 20 0 GDADMM C[C@H](C(=O)N(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)C(F)(F)F ZINC001573593479 947372081 /nfs/dbraw/zinc/37/20/81/947372081.db2.gz JVCVUTZIDLNNLV-LDYMZIIASA-N -1 1 384.366 1.504 20 0 GDADMM C[C@H](C(=O)N(C)C[C@@H](O)CNc1nc(-c2nn[n-]n2)c(Cl)s1)C1CC1 ZINC001573599577 947457357 /nfs/dbraw/zinc/45/73/57/947457357.db2.gz YHUQXISJJKHKFE-CBAPKCEASA-N -1 1 385.881 1.254 20 0 GDADMM C[C@H](C(=O)N(C)c1ccc(Br)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001573603678 947494764 /nfs/dbraw/zinc/49/47/64/947494764.db2.gz JOZRBOLGMLEICW-MRVPVSSYSA-N -1 1 377.206 1.445 20 0 GDADMM C[C@H](C(=O)N(C)CCNc1nccnc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC001573604282 947508911 /nfs/dbraw/zinc/50/89/11/947508911.db2.gz NHTOADGHJJSPBZ-JTQLQIEISA-N -1 1 388.382 1.609 20 0 GDADMM C[C@H](C(=O)N(C)CCNc1nccnc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC001573604282 947508920 /nfs/dbraw/zinc/50/89/20/947508920.db2.gz NHTOADGHJJSPBZ-JTQLQIEISA-N -1 1 388.382 1.609 20 0 GDADMM C[C@@H](C(=O)N(CCO)CCNc1cnc(-c2nnn[n-]2)cn1)[C@H](C)C(C)(C)C ZINC001573607112 947541154 /nfs/dbraw/zinc/54/11/54/947541154.db2.gz FREOEMURNRVUIH-OLZOCXBDSA-N -1 1 390.492 1.208 20 0 GDADMM C[C@@H](C(=O)N(CCO)CCNc1cnc(-c2nn[n-]n2)cn1)[C@H](C)C(C)(C)C ZINC001573607112 947541168 /nfs/dbraw/zinc/54/11/68/947541168.db2.gz FREOEMURNRVUIH-OLZOCXBDSA-N -1 1 390.492 1.208 20 0 GDADMM COc1cc(CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)cc(OC)c1OC ZINC000826179637 947555548 /nfs/dbraw/zinc/55/55/48/947555548.db2.gz XCLASXUOFPZERV-UHFFFAOYSA-N -1 1 388.384 1.048 20 0 GDADMM COc1cc(CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)cc(OC)c1OC ZINC000826179637 947555561 /nfs/dbraw/zinc/55/55/61/947555561.db2.gz XCLASXUOFPZERV-UHFFFAOYSA-N -1 1 388.384 1.048 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573614139 947578030 /nfs/dbraw/zinc/57/80/30/947578030.db2.gz CFQHZNIJVZPXCK-GHMZBOCLSA-N -1 1 380.403 1.020 20 0 GDADMM C[C@@H](C(=O)N1CCC(CNc2ccc(-c3nnn[n-]3)nn2)CC1)c1ccco1 ZINC001573614201 947580908 /nfs/dbraw/zinc/58/09/08/947580908.db2.gz CZZOWCKTODIZFK-GFCCVEGCSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@@H](C(=O)N1CCC(CNc2ccc(-c3nn[n-]n3)nn2)CC1)c1ccco1 ZINC001573614201 947580918 /nfs/dbraw/zinc/58/09/18/947580918.db2.gz CZZOWCKTODIZFK-GFCCVEGCSA-N -1 1 382.428 1.704 20 0 GDADMM COc1ccc(C[C@@H](C)NC(=O)Cc2noc(C)c2-c2nnn[n-]2)cc1OC ZINC000826191622 947583844 /nfs/dbraw/zinc/58/38/44/947583844.db2.gz LMSVPBQOWHXBEJ-SNVBAGLBSA-N -1 1 386.412 1.470 20 0 GDADMM COc1ccc(C[C@@H](C)NC(=O)Cc2noc(C)c2-c2nn[n-]n2)cc1OC ZINC000826191622 947583860 /nfs/dbraw/zinc/58/38/60/947583860.db2.gz LMSVPBQOWHXBEJ-SNVBAGLBSA-N -1 1 386.412 1.470 20 0 GDADMM C=Cc1ccc(C(=O)N2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@@H](C)C2)cc1 ZINC001573351064 947608248 /nfs/dbraw/zinc/60/82/48/947608248.db2.gz JGZWLBKMQJWFRP-WFASDCNBSA-N -1 1 376.424 1.294 20 0 GDADMM C=Cc1ccc(C(=O)N2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C(C)(C)C2)cc1 ZINC001573351112 947611213 /nfs/dbraw/zinc/61/12/13/947611213.db2.gz KPRCXVXINQHBKW-HNNXBMFYSA-N -1 1 390.451 1.684 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001573351339 947612452 /nfs/dbraw/zinc/61/24/52/947612452.db2.gz LLDMTPBYLIUIQR-CQSZACIVSA-N -1 1 376.424 1.874 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573351339 947612474 /nfs/dbraw/zinc/61/24/74/947612474.db2.gz LLDMTPBYLIUIQR-CQSZACIVSA-N -1 1 376.424 1.874 20 0 GDADMM COc1ccc2c(c1)CC[C@H](NS(=O)(=O)c1ccc(-c3nnn[n-]3)nc1)C2 ZINC000826212454 947621090 /nfs/dbraw/zinc/62/10/90/947621090.db2.gz QXOJRGPGPNJRTN-ZDUSSCGKSA-N -1 1 386.437 1.106 20 0 GDADMM COc1ccc2c(c1)CC[C@H](NS(=O)(=O)c1ccc(-c3nn[n-]n3)nc1)C2 ZINC000826212454 947621096 /nfs/dbraw/zinc/62/10/96/947621096.db2.gz QXOJRGPGPNJRTN-ZDUSSCGKSA-N -1 1 386.437 1.106 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001573352183 947628013 /nfs/dbraw/zinc/62/80/13/947628013.db2.gz XVOKNEAXBVZXDV-AWEZNQCLSA-N -1 1 376.424 1.874 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001573352183 947628024 /nfs/dbraw/zinc/62/80/24/947628024.db2.gz XVOKNEAXBVZXDV-AWEZNQCLSA-N -1 1 376.424 1.874 20 0 GDADMM COc1cccc([C@H]2CN(C(=O)Cc3noc(C)c3-c3nnn[n-]3)CCO2)c1 ZINC000826215105 947628768 /nfs/dbraw/zinc/62/87/68/947628768.db2.gz GWSZARFFGOJSJN-OAHLLOKOSA-N -1 1 384.396 1.314 20 0 GDADMM COc1cccc([C@H]2CN(C(=O)Cc3noc(C)c3-c3nn[n-]n3)CCO2)c1 ZINC000826215105 947628776 /nfs/dbraw/zinc/62/87/76/947628776.db2.gz GWSZARFFGOJSJN-OAHLLOKOSA-N -1 1 384.396 1.314 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)c1cccs1 ZINC001573617832 947641875 /nfs/dbraw/zinc/64/18/75/947641875.db2.gz NJIRFHKVDCQZGM-RYUDHWBXSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573617832 947641880 /nfs/dbraw/zinc/64/18/80/947641880.db2.gz NJIRFHKVDCQZGM-RYUDHWBXSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@H](C(=O)N1CCC(C)(Nc2cnc(-c3nnn[n-]3)cn2)CC1)C(C)(F)F ZINC001573619431 947664913 /nfs/dbraw/zinc/66/49/13/947664913.db2.gz WFLZPLYJBUAHSB-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](C(=O)N1CCC(C)(Nc2cnc(-c3nn[n-]n3)cn2)CC1)C(C)(F)F ZINC001573619431 947664921 /nfs/dbraw/zinc/66/49/21/947664921.db2.gz WFLZPLYJBUAHSB-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](C(=O)N1CCC(N(C)c2nccnc2-c2nnn[n-]2)CC1)c1ccco1 ZINC001573619783 947669280 /nfs/dbraw/zinc/66/92/80/947669280.db2.gz XWZYHTSQBNMCAE-GFCCVEGCSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@@H](C(=O)N1CCC(N(C)c2nccnc2-c2nn[n-]n2)CC1)c1ccco1 ZINC001573619783 947669286 /nfs/dbraw/zinc/66/92/86/947669286.db2.gz XWZYHTSQBNMCAE-GFCCVEGCSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@@H](C(=O)N1CCC(CN(C)c2nccnc2-c2nnn[n-]2)CC1)C1CCC1 ZINC001573620178 947678612 /nfs/dbraw/zinc/67/86/12/947678612.db2.gz YZIUQGXCUHPIBD-CYBMUJFWSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](C(=O)N1CCC(CN(C)c2nccnc2-c2nn[n-]n2)CC1)C1CCC1 ZINC001573620178 947678616 /nfs/dbraw/zinc/67/86/16/947678616.db2.gz YZIUQGXCUHPIBD-CYBMUJFWSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](C(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1)c1ccsc1 ZINC001573624049 947693507 /nfs/dbraw/zinc/69/35/07/947693507.db2.gz JQBJDNNGXYIBOH-LLVKDONJSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@@H](C(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1)c1ccsc1 ZINC001573624049 947693515 /nfs/dbraw/zinc/69/35/15/947693515.db2.gz JQBJDNNGXYIBOH-LLVKDONJSA-N -1 1 384.469 1.925 20 0 GDADMM C/C(=C\C(=O)N1C[C@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@@]2(C)C1)C1CC1 ZINC001573361798 947696197 /nfs/dbraw/zinc/69/61/97/947696197.db2.gz DYKSLKLTZRYHOX-BEHOVMRVSA-N -1 1 394.483 1.606 20 0 GDADMM C/C(=C\C(=O)N1C[C@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@@]2(C)C1)C1CC1 ZINC001573361798 947696203 /nfs/dbraw/zinc/69/62/03/947696203.db2.gz DYKSLKLTZRYHOX-BEHOVMRVSA-N -1 1 394.483 1.606 20 0 GDADMM C/C(=C/C(=O)NCCCN(c1nc(C)cc(-c2nnn[n-]2)n1)C1CC1)C1CC1 ZINC001573364039 947715839 /nfs/dbraw/zinc/71/58/39/947715839.db2.gz OZKHHIVBQPDIOS-BENRWUELSA-N -1 1 382.472 1.797 20 0 GDADMM C/C(=C/C(=O)NCCCN(c1nc(C)cc(-c2nn[n-]n2)n1)C1CC1)C1CC1 ZINC001573364039 947715850 /nfs/dbraw/zinc/71/58/50/947715850.db2.gz OZKHHIVBQPDIOS-BENRWUELSA-N -1 1 382.472 1.797 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1)n1cccc1 ZINC001573628523 947757781 /nfs/dbraw/zinc/75/77/81/947757781.db2.gz MPEVUUNREBZEKZ-KGLIPLIRSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1)n1cccc1 ZINC001573628523 947757785 /nfs/dbraw/zinc/75/77/85/947757785.db2.gz MPEVUUNREBZEKZ-KGLIPLIRSA-N -1 1 381.444 1.512 20 0 GDADMM Cc1cc(C)n(C[C@H]2CCCCN2C(=O)Cc2noc(C)c2-c2nnn[n-]2)n1 ZINC000826265053 947763899 /nfs/dbraw/zinc/76/38/99/947763899.db2.gz KSDKOIBMYMWUEO-CQSZACIVSA-N -1 1 384.444 1.600 20 0 GDADMM Cc1cc(C)n(C[C@H]2CCCCN2C(=O)Cc2noc(C)c2-c2nn[n-]n2)n1 ZINC000826265053 947763906 /nfs/dbraw/zinc/76/39/06/947763906.db2.gz KSDKOIBMYMWUEO-CQSZACIVSA-N -1 1 384.444 1.600 20 0 GDADMM C[C@@H](C(=O)N1CCC2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CC1)C1CC1 ZINC001573628799 947765770 /nfs/dbraw/zinc/76/57/70/947765770.db2.gz KGBUUVPACRFODA-CYBMUJFWSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H](C(=O)N1CCC2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CC1)C1CC1 ZINC001573628799 947765774 /nfs/dbraw/zinc/76/57/74/947765774.db2.gz KGBUUVPACRFODA-CYBMUJFWSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001573629261 947774734 /nfs/dbraw/zinc/77/47/34/947774734.db2.gz NBDHJAQOHXJOFJ-UWVGGRQHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001573629261 947774738 /nfs/dbraw/zinc/77/47/38/947774738.db2.gz NBDHJAQOHXJOFJ-UWVGGRQHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@H](C(=O)N1CC[C@]2(C1)CCCN(c1cnc(-c3nnn[n-]3)cn1)C2)C1CC1 ZINC001573629294 947777499 /nfs/dbraw/zinc/77/74/99/947777499.db2.gz NHMUGCABFUBYTD-ORAYPTAESA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H](C(=O)N1CC[C@]2(C1)CCCN(c1cnc(-c3nn[n-]n3)cn1)C2)C1CC1 ZINC001573629294 947777503 /nfs/dbraw/zinc/77/75/03/947777503.db2.gz NHMUGCABFUBYTD-ORAYPTAESA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H](C(=O)N1CCCCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573629393 947780027 /nfs/dbraw/zinc/78/00/27/947780027.db2.gz SSBJOCAYGNZTHW-ZFWWWQNUSA-N -1 1 384.488 1.698 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(C(=O)NC(C)C)c(C)c2)c1-c1nnn[n-]1 ZINC000826270416 947784061 /nfs/dbraw/zinc/78/40/61/947784061.db2.gz ZGJLIJPFOFOXHH-UHFFFAOYSA-N -1 1 383.412 1.791 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(C(=O)NC(C)C)c(C)c2)c1-c1nn[n-]n1 ZINC000826270416 947784070 /nfs/dbraw/zinc/78/40/70/947784070.db2.gz ZGJLIJPFOFOXHH-UHFFFAOYSA-N -1 1 383.412 1.791 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CCC[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573374107 947805413 /nfs/dbraw/zinc/80/54/13/947805413.db2.gz HRBNBPDROARQMW-KGLIPLIRSA-N -1 1 386.460 1.564 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CCC[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573374107 947805419 /nfs/dbraw/zinc/80/54/19/947805419.db2.gz HRBNBPDROARQMW-KGLIPLIRSA-N -1 1 386.460 1.564 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1)c1cccs1 ZINC001573638396 947837995 /nfs/dbraw/zinc/83/79/95/947837995.db2.gz MKTXPMMYKYJQRF-VXGBXAGGSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1)c1cccs1 ZINC001573638396 947838003 /nfs/dbraw/zinc/83/80/03/947838003.db2.gz MKTXPMMYKYJQRF-VXGBXAGGSA-N -1 1 384.469 1.925 20 0 GDADMM CC(=O)CCCC(=O)NCC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573380334 947859186 /nfs/dbraw/zinc/85/91/86/947859186.db2.gz BGSZHXAVIXIWJV-UHFFFAOYSA-N -1 1 386.460 1.139 20 0 GDADMM CC(=O)CCCC(=O)NCC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573380334 947859193 /nfs/dbraw/zinc/85/91/93/947859193.db2.gz BGSZHXAVIXIWJV-UHFFFAOYSA-N -1 1 386.460 1.139 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](C)[C@H](CCNc2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001573647278 947889344 /nfs/dbraw/zinc/88/93/44/947889344.db2.gz GVZCKRLOOQEDMD-QLFBSQMISA-N -1 1 395.471 1.616 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](C)[C@H](CCNc2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001573647278 947889350 /nfs/dbraw/zinc/88/93/50/947889350.db2.gz GVZCKRLOOQEDMD-QLFBSQMISA-N -1 1 395.471 1.616 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)[C@H](C)C1)c1ccco1 ZINC001573647462 947894216 /nfs/dbraw/zinc/89/42/16/947894216.db2.gz LWNAZSKKNJOFAD-FRRDWIJNSA-N -1 1 382.428 1.560 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)[C@H](C)C1)c1ccco1 ZINC001573647462 947894224 /nfs/dbraw/zinc/89/42/24/947894224.db2.gz LWNAZSKKNJOFAD-FRRDWIJNSA-N -1 1 382.428 1.560 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1)C1CCCC1 ZINC001573647681 947900905 /nfs/dbraw/zinc/90/09/05/947900905.db2.gz RUOAOTVSZHMJNQ-YUELXQCFSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@@]2(C)C1)C(C)(F)F ZINC001573650323 947908035 /nfs/dbraw/zinc/90/80/35/947908035.db2.gz ARIQSPUHLCSOGO-USBNGQNGSA-N -1 1 392.414 1.233 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@@]2(C)C1)C(C)(F)F ZINC001573650323 947908044 /nfs/dbraw/zinc/90/80/44/947908044.db2.gz ARIQSPUHLCSOGO-USBNGQNGSA-N -1 1 392.414 1.233 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1)C(C)(C)C ZINC001573650765 947912928 /nfs/dbraw/zinc/91/29/28/947912928.db2.gz DYHHWSQRXDAXBH-MCIONIFRSA-N -1 1 384.488 1.624 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1)C(C)(C)C ZINC001573650765 947912933 /nfs/dbraw/zinc/91/29/33/947912933.db2.gz DYHHWSQRXDAXBH-MCIONIFRSA-N -1 1 384.488 1.624 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1)C(C)(F)F ZINC001573650947 947914861 /nfs/dbraw/zinc/91/48/61/947914861.db2.gz GHSDHLQQXDGPOW-UTUOFQBUSA-N -1 1 392.414 1.233 20 0 GDADMM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1)c1cccs1 ZINC001573651185 947918347 /nfs/dbraw/zinc/91/83/47/947918347.db2.gz JRQKFYVDXOMZBO-SRVKXCTJSA-N -1 1 382.453 1.311 20 0 GDADMM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1)c1cccs1 ZINC001573651185 947918351 /nfs/dbraw/zinc/91/83/51/947918351.db2.gz JRQKFYVDXOMZBO-SRVKXCTJSA-N -1 1 382.453 1.311 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@]2(C)C1)C1CCC1 ZINC001573651719 947922711 /nfs/dbraw/zinc/92/27/11/947922711.db2.gz PVSQVPMKMPLWGS-CFZJUORYSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C(C)(C)C)n1cccc1 ZINC001573652649 947944478 /nfs/dbraw/zinc/94/44/78/947944478.db2.gz FTSBWTOBDXGROP-JSGCOSHPSA-N -1 1 383.460 1.662 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C(C)(C)C)n1cccc1 ZINC001573652649 947944483 /nfs/dbraw/zinc/94/44/83/947944483.db2.gz FTSBWTOBDXGROP-JSGCOSHPSA-N -1 1 383.460 1.662 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C(C)(C)C)c1ccco1 ZINC001573652894 947948551 /nfs/dbraw/zinc/94/85/51/947948551.db2.gz HZOLAQQKKHTDEN-AAEUAGOBSA-N -1 1 384.444 1.418 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C(C)(C)C)c1ccco1 ZINC001573652895 947949047 /nfs/dbraw/zinc/94/90/47/947949047.db2.gz HZOLAQQKKHTDEN-DGCLKSJQSA-N -1 1 384.444 1.418 20 0 GDADMM C[C@@H](C(=O)N[C@@](C)(CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)c1ccco1 ZINC001573653416 947957525 /nfs/dbraw/zinc/95/75/25/947957525.db2.gz LKWHFHNCFAMVLW-ZMZPIMSZSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](C(=O)N[C@@](C)(CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)c1ccco1 ZINC001573653416 947957537 /nfs/dbraw/zinc/95/75/37/947957537.db2.gz LKWHFHNCFAMVLW-ZMZPIMSZSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C(C)(C)C)C(C)(F)F ZINC001573653617 947957991 /nfs/dbraw/zinc/95/79/91/947957991.db2.gz MCENFALEVNKDSQ-ONGXEEELSA-N -1 1 382.419 1.891 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C(C)(C)C)C(C)(F)F ZINC001573653617 947957992 /nfs/dbraw/zinc/95/79/92/947957992.db2.gz MCENFALEVNKDSQ-ONGXEEELSA-N -1 1 382.419 1.891 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CCCCC1)C1CC1 ZINC001573655227 947976420 /nfs/dbraw/zinc/97/64/20/947976420.db2.gz WNUCFHDREUIIRW-SWLSCSKDSA-N -1 1 384.488 1.602 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)c1cccnc1 ZINC001573655362 947976451 /nfs/dbraw/zinc/97/64/51/947976451.db2.gz WYWDEBLSVIEZEK-XHDPSFHLSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)c1cccnc1 ZINC001573655362 947976458 /nfs/dbraw/zinc/97/64/58/947976458.db2.gz WYWDEBLSVIEZEK-XHDPSFHLSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@@H](C(=O)NC1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)c1ccco1 ZINC001573656450 947991038 /nfs/dbraw/zinc/99/10/38/947991038.db2.gz GORYRFOPJHCSDM-GFCCVEGCSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](C(=O)NC1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)c1ccco1 ZINC001573656450 947991044 /nfs/dbraw/zinc/99/10/44/947991044.db2.gz GORYRFOPJHCSDM-GFCCVEGCSA-N -1 1 382.428 1.529 20 0 GDADMM Cc1onc(CC(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)c1-c1nnn[n-]1 ZINC000826343822 947996788 /nfs/dbraw/zinc/99/67/88/947996788.db2.gz OAESJJYDGQYVBL-QMTHXVAHSA-N -1 1 390.350 1.318 20 0 GDADMM Cc1onc(CC(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)c1-c1nn[n-]n1 ZINC000826343822 947996792 /nfs/dbraw/zinc/99/67/92/947996792.db2.gz OAESJJYDGQYVBL-QMTHXVAHSA-N -1 1 390.350 1.318 20 0 GDADMM Cc1onc(CC(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1-c1nnn[n-]1 ZINC000826343813 947997612 /nfs/dbraw/zinc/99/76/12/947997612.db2.gz NVZGDKRVHRKICV-NSHDSACASA-N -1 1 391.432 1.079 20 0 GDADMM Cc1onc(CC(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1-c1nn[n-]n1 ZINC000826343813 947997618 /nfs/dbraw/zinc/99/76/18/947997618.db2.gz NVZGDKRVHRKICV-NSHDSACASA-N -1 1 391.432 1.079 20 0 GDADMM Cc1onc(CC(=O)N(Cc2ccncc2)Cc2cccnc2)c1-c1nnn[n-]1 ZINC000826343891 947997738 /nfs/dbraw/zinc/99/77/38/947997738.db2.gz QCHSQIQUMCKNST-UHFFFAOYSA-N -1 1 390.407 1.725 20 0 GDADMM Cc1onc(CC(=O)N(Cc2ccncc2)Cc2cccnc2)c1-c1nn[n-]n1 ZINC000826343891 947997746 /nfs/dbraw/zinc/99/77/46/947997746.db2.gz QCHSQIQUMCKNST-UHFFFAOYSA-N -1 1 390.407 1.725 20 0 GDADMM Cc1onc(CC(=O)N(Cc2ccncc2)C[C@H]2CCCO2)c1-c1nnn[n-]1 ZINC000826344107 948002531 /nfs/dbraw/zinc/00/25/31/948002531.db2.gz XLUFMCYJCOWEIU-CQSZACIVSA-N -1 1 383.412 1.308 20 0 GDADMM Cc1onc(CC(=O)N(Cc2ccncc2)C[C@H]2CCCO2)c1-c1nn[n-]n1 ZINC000826344107 948002542 /nfs/dbraw/zinc/00/25/42/948002542.db2.gz XLUFMCYJCOWEIU-CQSZACIVSA-N -1 1 383.412 1.308 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)c1-c1nnn[n-]1 ZINC000826345126 948018980 /nfs/dbraw/zinc/01/89/80/948018980.db2.gz CQENBMNLNVOWQS-LBPRGKRZSA-N -1 1 391.432 1.125 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)c1-c1nn[n-]n1 ZINC000826345126 948018989 /nfs/dbraw/zinc/01/89/89/948018989.db2.gz CQENBMNLNVOWQS-LBPRGKRZSA-N -1 1 391.432 1.125 20 0 GDADMM C[C@H](C(=O)N[C@]12CCC[C@@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2)C1CCC1 ZINC001573661832 948021812 /nfs/dbraw/zinc/02/18/12/948021812.db2.gz AITQDUVOEQRPSM-ODYMNIRHSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H](C(=O)N[C@]12CCC[C@@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2)C1CCC1 ZINC001573661832 948021818 /nfs/dbraw/zinc/02/18/18/948021818.db2.gz AITQDUVOEQRPSM-ODYMNIRHSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H](C(=O)N[C@@]12CCC[C@@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2)C1CCC1 ZINC001573661838 948023422 /nfs/dbraw/zinc/02/34/22/948023422.db2.gz AITQDUVOEQRPSM-VRHCTWJESA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H](C(=O)N[C@@]12CCC[C@@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2)C1CCC1 ZINC001573661838 948023431 /nfs/dbraw/zinc/02/34/31/948023431.db2.gz AITQDUVOEQRPSM-VRHCTWJESA-N -1 1 382.472 1.711 20 0 GDADMM Cc1onc(CC(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)c1-c1nnn[n-]1 ZINC000826345773 948029920 /nfs/dbraw/zinc/02/99/20/948029920.db2.gz UGSPXSOEYNICTP-SNVBAGLBSA-N -1 1 379.384 1.164 20 0 GDADMM Cc1onc(CC(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)c1-c1nn[n-]n1 ZINC000826345773 948029926 /nfs/dbraw/zinc/02/99/26/948029926.db2.gz UGSPXSOEYNICTP-SNVBAGLBSA-N -1 1 379.384 1.164 20 0 GDADMM C[C@@H](C(=O)NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573663177 948033191 /nfs/dbraw/zinc/03/31/91/948033191.db2.gz KCDVYBGVNWJFFV-VOMCLLRMSA-N -1 1 384.469 1.251 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cccs1 ZINC001573664832 948063468 /nfs/dbraw/zinc/06/34/68/948063468.db2.gz HAFHMUDICPVWDH-RYUDHWBXSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cccs1 ZINC001573664832 948063479 /nfs/dbraw/zinc/06/34/79/948063479.db2.gz HAFHMUDICPVWDH-RYUDHWBXSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)NC1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1)n1cccc1 ZINC001573665488 948074583 /nfs/dbraw/zinc/07/45/83/948074583.db2.gz LPFXULJEOXMMJG-HSBZDZAISA-N -1 1 381.444 1.559 20 0 GDADMM C[C@@H](C(=O)NC1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1)n1cccc1 ZINC001573665488 948074589 /nfs/dbraw/zinc/07/45/89/948074589.db2.gz LPFXULJEOXMMJG-HSBZDZAISA-N -1 1 381.444 1.559 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C(F)(F)F ZINC001573665811 948076870 /nfs/dbraw/zinc/07/68/70/948076870.db2.gz NJKJGVHZLJGSAR-NXEZZACHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C(F)(F)F ZINC001573665811 948076878 /nfs/dbraw/zinc/07/68/78/948076878.db2.gz NJKJGVHZLJGSAR-NXEZZACHSA-N -1 1 384.366 1.330 20 0 GDADMM Cc1onc(CC(=O)Nc2cccc(CN3CCCC3=O)c2)c1-c1nnn[n-]1 ZINC000826348725 948080629 /nfs/dbraw/zinc/08/06/29/948080629.db2.gz AZJURKJFUQDMCI-UHFFFAOYSA-N -1 1 381.396 1.467 20 0 GDADMM Cc1onc(CC(=O)Nc2cccc(CN3CCCC3=O)c2)c1-c1nn[n-]n1 ZINC000826348725 948080638 /nfs/dbraw/zinc/08/06/38/948080638.db2.gz AZJURKJFUQDMCI-UHFFFAOYSA-N -1 1 381.396 1.467 20 0 GDADMM Cc1onc(CC(=O)Nc2cccc(N3CCCCC3=O)c2)c1-c1nnn[n-]1 ZINC000826349065 948089057 /nfs/dbraw/zinc/08/90/57/948089057.db2.gz RTZRWECGZKPHKF-UHFFFAOYSA-N -1 1 381.396 1.861 20 0 GDADMM Cc1onc(CC(=O)Nc2cccc(N3CCCCC3=O)c2)c1-c1nn[n-]n1 ZINC000826349065 948089068 /nfs/dbraw/zinc/08/90/68/948089068.db2.gz RTZRWECGZKPHKF-UHFFFAOYSA-N -1 1 381.396 1.861 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1F ZINC001573670388 948101614 /nfs/dbraw/zinc/10/16/14/948101614.db2.gz BIWJMSHHJVOSDN-VXGBXAGGSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cccc(F)c1 ZINC001573671327 948105893 /nfs/dbraw/zinc/10/58/93/948105893.db2.gz DQUJULVAXUQRMM-FZMZJTMJSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cccc(F)c1 ZINC001573671327 948105901 /nfs/dbraw/zinc/10/59/01/948105901.db2.gz DQUJULVAXUQRMM-FZMZJTMJSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@@H](C(=O)NC[C@H](Nc1nccnc1-c1nnn[n-]1)c1ccccc1)C1CC1 ZINC001573678997 948156261 /nfs/dbraw/zinc/15/62/61/948156261.db2.gz HJHLTUOGRGWQII-DOMZBBRYSA-N -1 1 378.440 1.972 20 0 GDADMM C[C@@H](C(=O)NC[C@H](Nc1nccnc1-c1nn[n-]n1)c1ccccc1)C1CC1 ZINC001573678997 948156270 /nfs/dbraw/zinc/15/62/70/948156270.db2.gz HJHLTUOGRGWQII-DOMZBBRYSA-N -1 1 378.440 1.972 20 0 GDADMM C[C@@H](C(=O)NC[C@H](Nc1nccnc1-c1nnn[n-]1)C1CC1)c1ccsc1 ZINC001573680453 948180492 /nfs/dbraw/zinc/18/04/92/948180492.db2.gz NUQYEVSGFGWBKM-MFKMUULPSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)NC[C@H](Nc1nccnc1-c1nn[n-]n1)C1CC1)c1ccsc1 ZINC001573680453 948180498 /nfs/dbraw/zinc/18/04/98/948180498.db2.gz NUQYEVSGFGWBKM-MFKMUULPSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)N[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C)C(F)(F)F ZINC001573680746 948186496 /nfs/dbraw/zinc/18/64/96/948186496.db2.gz RLMWXLFGWDQNFY-BDAKNGLRSA-N -1 1 384.366 1.186 20 0 GDADMM C[C@@H](C(=O)NC[C@]1(C)CCCN(c2cncc(-c3nnn[n-]3)n2)C1)C1CCC1 ZINC001573689965 948221088 /nfs/dbraw/zinc/22/10/88/948221088.db2.gz BEVWVXBFBWDFIB-YJYMSZOUSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NC[C@]1(C)CCCN(c2cncc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573689965 948221097 /nfs/dbraw/zinc/22/10/97/948221097.db2.gz BEVWVXBFBWDFIB-YJYMSZOUSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCCC1)C(C)(F)F ZINC001573690727 948227107 /nfs/dbraw/zinc/22/71/07/948227107.db2.gz AHUJAQOUTRKDBV-SNVBAGLBSA-N -1 1 380.403 1.789 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCCC1)C(C)(F)F ZINC001573690727 948227114 /nfs/dbraw/zinc/22/71/14/948227114.db2.gz AHUJAQOUTRKDBV-SNVBAGLBSA-N -1 1 380.403 1.789 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCCC1)C(F)(F)F ZINC001573692339 948261298 /nfs/dbraw/zinc/26/12/98/948261298.db2.gz OKEYSRFQKHAIPR-VIFPVBQESA-N -1 1 384.366 1.696 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCCC1)C(F)(F)F ZINC001573692339 948261311 /nfs/dbraw/zinc/26/13/11/948261311.db2.gz OKEYSRFQKHAIPR-VIFPVBQESA-N -1 1 384.366 1.696 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CC1)c1ccccc1F ZINC001573692884 948273207 /nfs/dbraw/zinc/27/32/07/948273207.db2.gz SXDAUGDPZWSCNP-NSHDSACASA-N -1 1 382.403 1.082 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1)c1ccccc1F ZINC001573693670 948284262 /nfs/dbraw/zinc/28/42/62/948284262.db2.gz AQLNIHPTBLNNDW-LLVKDONJSA-N -1 1 382.403 1.660 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1)c1ccccc1F ZINC001573693670 948284271 /nfs/dbraw/zinc/28/42/71/948284271.db2.gz AQLNIHPTBLNNDW-LLVKDONJSA-N -1 1 382.403 1.660 20 0 GDADMM C[C@@H](C(=O)NC[C@]1(C)CN(c2nccnc2-c2nnn[n-]2)CCO1)C(C)(C)C ZINC001573693793 948286940 /nfs/dbraw/zinc/28/69/40/948286940.db2.gz UDASZDGRKPHFCX-KPZWWZAWSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@@H](C(=O)NC[C@]1(C)CN(c2nccnc2-c2nn[n-]n2)CCO1)C(C)(C)C ZINC001573693793 948286950 /nfs/dbraw/zinc/28/69/50/948286950.db2.gz UDASZDGRKPHFCX-KPZWWZAWSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCCC1)n1cccc1 ZINC001573693780 948287703 /nfs/dbraw/zinc/28/77/03/948287703.db2.gz ZHGASGUOLWBFGX-ZDUSSCGKSA-N -1 1 381.444 1.560 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCCC1)n1cccc1 ZINC001573693780 948287710 /nfs/dbraw/zinc/28/77/10/948287710.db2.gz ZHGASGUOLWBFGX-ZDUSSCGKSA-N -1 1 381.444 1.560 20 0 GDADMM C[C@H](C(=O)NCC1=CCN(c2nccnc2-c2nnn[n-]2)CC1)c1ccco1 ZINC001573695590 948307257 /nfs/dbraw/zinc/30/72/57/948307257.db2.gz HKCZOTQPGQNSQL-LBPRGKRZSA-N -1 1 380.412 1.306 20 0 GDADMM C[C@H](C(=O)NCC1=CCN(c2nccnc2-c2nn[n-]n2)CC1)c1ccco1 ZINC001573695590 948307266 /nfs/dbraw/zinc/30/72/66/948307266.db2.gz HKCZOTQPGQNSQL-LBPRGKRZSA-N -1 1 380.412 1.306 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCCC1)C(C)(F)F ZINC001573696596 948330821 /nfs/dbraw/zinc/33/08/21/948330821.db2.gz SSQTWISLLHXJCC-JTQLQIEISA-N -1 1 380.403 1.789 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCCC1)C(C)(F)F ZINC001573696596 948330826 /nfs/dbraw/zinc/33/08/26/948330826.db2.gz SSQTWISLLHXJCC-JTQLQIEISA-N -1 1 380.403 1.789 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001573702550 948346991 /nfs/dbraw/zinc/34/69/91/948346991.db2.gz FDBZRDWGZCVOCY-STQMWFEESA-N -1 1 382.428 1.386 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001573703561 948355941 /nfs/dbraw/zinc/35/59/41/948355941.db2.gz KXRCQTDMXQSOLB-CHWSQXEVSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001573703561 948355951 /nfs/dbraw/zinc/35/59/51/948355951.db2.gz KXRCQTDMXQSOLB-CHWSQXEVSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1)n1cccc1 ZINC001573704106 948365900 /nfs/dbraw/zinc/36/59/00/948365900.db2.gz PANQSFAQONHMMP-UONOGXRCSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1)n1cccc1 ZINC001573704105 948366791 /nfs/dbraw/zinc/36/67/91/948366791.db2.gz PANQSFAQONHMMP-KGLIPLIRSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001573704452 948375044 /nfs/dbraw/zinc/37/50/44/948375044.db2.gz SMQRLMRGTQOMGK-VHSXEESVSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001573704452 948375050 /nfs/dbraw/zinc/37/50/50/948375050.db2.gz SMQRLMRGTQOMGK-VHSXEESVSA-N -1 1 384.366 1.188 20 0 GDADMM O=S(=O)(NCCc1ccc(CO)cc1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826491454 948403941 /nfs/dbraw/zinc/40/39/41/948403941.db2.gz KEHBWJQKFGIWJY-UHFFFAOYSA-N -1 1 377.401 1.019 20 0 GDADMM C[C@H](C(=O)NC[C@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1)C(C)(C)C ZINC001573708446 948450488 /nfs/dbraw/zinc/45/04/88/948450488.db2.gz UKWBANFNCGOAOQ-OLZOCXBDSA-N -1 1 392.529 1.927 20 0 GDADMM C[C@@H](C(=O)NCC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573715221 948486057 /nfs/dbraw/zinc/48/60/57/948486057.db2.gz RICJTRQASATILD-VHSXEESVSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@H](C(=O)NCC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C(C)(F)F ZINC001573715343 948487838 /nfs/dbraw/zinc/48/78/38/948487838.db2.gz UOSCAUNKVASATG-WDEREUQCSA-N -1 1 380.403 1.281 20 0 GDADMM C[C@@H](C(=O)NCC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C(C)(F)F ZINC001573715343 948487843 /nfs/dbraw/zinc/48/78/43/948487843.db2.gz UOSCAUNKVASATG-WDEREUQCSA-N -1 1 380.403 1.281 20 0 GDADMM C[C@H](C(=O)NCC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)C1CCCC1 ZINC001573715398 948489920 /nfs/dbraw/zinc/48/99/20/948489920.db2.gz VOWFQQVDLDBZIQ-KBPBESRZSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NCC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)C1CCCC1 ZINC001573715398 948489924 /nfs/dbraw/zinc/48/99/24/948489924.db2.gz VOWFQQVDLDBZIQ-KBPBESRZSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NCC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C)C1CCC1 ZINC001573716513 948499465 /nfs/dbraw/zinc/49/94/65/948499465.db2.gz HBZNSGXQZASCKG-UMVBOHGHSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@@H](C(=O)NCC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C)C1CCC1 ZINC001573716513 948499469 /nfs/dbraw/zinc/49/94/69/948499469.db2.gz HBZNSGXQZASCKG-UMVBOHGHSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1nccnc1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC001573717471 948508958 /nfs/dbraw/zinc/50/89/58/948508958.db2.gz CTFUGDTWWVPKBZ-NSHDSACASA-N -1 1 386.847 1.666 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1nccnc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC001573717471 948508964 /nfs/dbraw/zinc/50/89/64/948508964.db2.gz CTFUGDTWWVPKBZ-NSHDSACASA-N -1 1 386.847 1.666 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1)c1ccc(Cl)s1 ZINC001573720165 948532341 /nfs/dbraw/zinc/53/23/41/948532341.db2.gz PNECZHWBRIKBJV-SECBINFHSA-N -1 1 392.876 1.728 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1)c1ccc(Cl)s1 ZINC001573720165 948532347 /nfs/dbraw/zinc/53/23/47/948532347.db2.gz PNECZHWBRIKBJV-SECBINFHSA-N -1 1 392.876 1.728 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001573725616 948543190 /nfs/dbraw/zinc/54/31/90/948543190.db2.gz CICOABARVYMQDA-KXUCPTDWSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001573725616 948543193 /nfs/dbraw/zinc/54/31/93/948543193.db2.gz CICOABARVYMQDA-KXUCPTDWSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)C(C)(F)F ZINC001573725928 948545912 /nfs/dbraw/zinc/54/59/12/948545912.db2.gz CWMLKNPPECZARD-OUAUKWLOSA-N -1 1 380.403 1.137 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)C(C)(F)F ZINC001573725928 948545919 /nfs/dbraw/zinc/54/59/19/948545919.db2.gz CWMLKNPPECZARD-OUAUKWLOSA-N -1 1 380.403 1.137 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1ccco1 ZINC001573727173 948551147 /nfs/dbraw/zinc/55/11/47/948551147.db2.gz LAXPKOMIKPAESF-FRRDWIJNSA-N -1 1 382.428 1.242 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1ccco1 ZINC001573727173 948551152 /nfs/dbraw/zinc/55/11/52/948551152.db2.gz LAXPKOMIKPAESF-FRRDWIJNSA-N -1 1 382.428 1.242 20 0 GDADMM C[C@@H](C(=O)N[C@@H](C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C1CCC1 ZINC001573731856 948596777 /nfs/dbraw/zinc/59/67/77/948596777.db2.gz JAWPMXOZAAMFGM-OLZOCXBDSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)N[C@@H](C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C1CCC1 ZINC001573731856 948596784 /nfs/dbraw/zinc/59/67/84/948596784.db2.gz JAWPMXOZAAMFGM-OLZOCXBDSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](NC(=O)[C@@H](C)C1CCC1)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573732058 948600008 /nfs/dbraw/zinc/60/00/08/948600008.db2.gz KNWAWVZIMPKDMD-STQMWFEESA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](NC(=O)[C@@H](C)C1CCC1)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573732058 948600017 /nfs/dbraw/zinc/60/00/17/948600017.db2.gz KNWAWVZIMPKDMD-STQMWFEESA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001573736045 948610997 /nfs/dbraw/zinc/61/09/97/948610997.db2.gz CJWQZUPXSXBKDZ-GMTAPVOTSA-N -1 1 380.403 1.209 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC001573736263 948614499 /nfs/dbraw/zinc/61/44/99/948614499.db2.gz LUQRGGXDHMBKJG-YNEHKIRRSA-N -1 1 382.428 1.893 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC001573736263 948614501 /nfs/dbraw/zinc/61/45/01/948614501.db2.gz LUQRGGXDHMBKJG-YNEHKIRRSA-N -1 1 382.428 1.893 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1)n1cccc1 ZINC001573736489 948616399 /nfs/dbraw/zinc/61/63/99/948616399.db2.gz XREWIQLZBJEJLN-BFHYXJOUSA-N -1 1 381.444 1.559 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1)n1cccc1 ZINC001573736489 948616402 /nfs/dbraw/zinc/61/64/02/948616402.db2.gz XREWIQLZBJEJLN-BFHYXJOUSA-N -1 1 381.444 1.559 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H](C)c1ccc(F)cc1F ZINC001573739171 948618148 /nfs/dbraw/zinc/61/81/48/948618148.db2.gz ACHAAVREAMKDPB-NXEZZACHSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H](C)c1ccc(F)cc1F ZINC001573739171 948618153 /nfs/dbraw/zinc/61/81/53/948618153.db2.gz ACHAAVREAMKDPB-NXEZZACHSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573739228 948618271 /nfs/dbraw/zinc/61/82/71/948618271.db2.gz BDVVTDDJVSRINV-NGFQHRJXSA-N -1 1 382.472 1.709 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@H](C)[C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)nc1 ZINC001574416154 948744223 /nfs/dbraw/zinc/74/42/23/948744223.db2.gz PQHLYGYIJLNPBX-VXGBXAGGSA-N -1 1 381.444 1.216 20 0 GDADMM CC(C)c1ccc(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)nc1 ZINC001574416478 948750827 /nfs/dbraw/zinc/75/08/27/948750827.db2.gz VBZMBSNKKGFZKD-ZDUSSCGKSA-N -1 1 379.428 1.502 20 0 GDADMM CC(C)c1ccc(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)nc1 ZINC001574416478 948750842 /nfs/dbraw/zinc/75/08/42/948750842.db2.gz VBZMBSNKKGFZKD-ZDUSSCGKSA-N -1 1 379.428 1.502 20 0 GDADMM C[C@@H](CNC(=O)CCc1ccc(F)cc1F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574914842 948758262 /nfs/dbraw/zinc/75/82/62/948758262.db2.gz NWXLRRSCTBUOHN-JTQLQIEISA-N -1 1 388.382 1.484 20 0 GDADMM C[C@@H](CNC(=O)CCc1ccc(F)cc1F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574914842 948758271 /nfs/dbraw/zinc/75/82/71/948758271.db2.gz NWXLRRSCTBUOHN-JTQLQIEISA-N -1 1 388.382 1.484 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@H]2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001575223299 948759990 /nfs/dbraw/zinc/75/99/90/948759990.db2.gz NHFBOHRJCOMDKR-WDEREUQCSA-N -1 1 392.414 1.789 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@H]2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001575223299 948760001 /nfs/dbraw/zinc/76/00/01/948760001.db2.gz NHFBOHRJCOMDKR-WDEREUQCSA-N -1 1 392.414 1.789 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCCN(c3nccnc3-c3nnn[n-]3)CC2)CC1 ZINC001575222827 948760292 /nfs/dbraw/zinc/76/02/92/948760292.db2.gz LNGJKPUTTCQNKK-UHFFFAOYSA-N -1 1 378.387 1.131 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCCN(c3nccnc3-c3nn[n-]n3)CC2)CC1 ZINC001575222827 948760299 /nfs/dbraw/zinc/76/02/99/948760299.db2.gz LNGJKPUTTCQNKK-UHFFFAOYSA-N -1 1 378.387 1.131 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001575223384 948763965 /nfs/dbraw/zinc/76/39/65/948763965.db2.gz OIEQDRPMAVVVMP-JTQLQIEISA-N -1 1 378.387 1.177 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001575223384 948763975 /nfs/dbraw/zinc/76/39/75/948763975.db2.gz OIEQDRPMAVVVMP-JTQLQIEISA-N -1 1 378.387 1.177 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001574679089 948767495 /nfs/dbraw/zinc/76/74/95/948767495.db2.gz NFFBRCSBTJXCCH-ZQGRQUNCSA-N -1 1 392.467 1.941 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001574679089 948767504 /nfs/dbraw/zinc/76/75/04/948767504.db2.gz NFFBRCSBTJXCCH-ZQGRQUNCSA-N -1 1 392.467 1.941 20 0 GDADMM CC(C)c1cccc(C(=O)N(C)[C@H](C)CNc2cncc(-c3nnn[n-]3)n2)n1 ZINC001574417515 948769390 /nfs/dbraw/zinc/76/93/90/948769390.db2.gz QNTWBUOGJLCDBJ-GFCCVEGCSA-N -1 1 381.444 1.748 20 0 GDADMM CC(C)c1cccc(C(=O)N(C)[C@H](C)CNc2cncc(-c3nn[n-]n3)n2)n1 ZINC001574417515 948769397 /nfs/dbraw/zinc/76/93/97/948769397.db2.gz QNTWBUOGJLCDBJ-GFCCVEGCSA-N -1 1 381.444 1.748 20 0 GDADMM CC(C)c1cccc(C(=O)N2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)c1 ZINC001574417490 948769538 /nfs/dbraw/zinc/76/95/38/948769538.db2.gz PEPITNPSFYIELI-UHFFFAOYSA-N -1 1 378.440 1.743 20 0 GDADMM CC(C)c1cccc(C(=O)N2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)c1 ZINC001574417490 948769543 /nfs/dbraw/zinc/76/95/43/948769543.db2.gz PEPITNPSFYIELI-UHFFFAOYSA-N -1 1 378.440 1.743 20 0 GDADMM C[C@@H](C(=O)Nc1cnn([C@@H](C)c2ccccc2)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001573755675 948778120 /nfs/dbraw/zinc/77/81/20/948778120.db2.gz SDIMYDRIGCHXDO-RYUDHWBXSA-N -1 1 378.400 1.464 20 0 GDADMM CC(F)(F)CC(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001575224277 948780196 /nfs/dbraw/zinc/78/01/96/948780196.db2.gz LGTUPNGPDRVWPZ-LLVKDONJSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CC(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001575224277 948780209 /nfs/dbraw/zinc/78/02/09/948780209.db2.gz LGTUPNGPDRVWPZ-LLVKDONJSA-N -1 1 380.403 1.789 20 0 GDADMM C[C@@H](C(=O)Nc1ncc(C2CCOCC2)s1)n1cnc(-c2nn[n-]n2)n1 ZINC001573755698 948780346 /nfs/dbraw/zinc/78/03/46/948780346.db2.gz SMAMCHSSQFFVDF-QMMMGPOBSA-N -1 1 375.418 1.008 20 0 GDADMM CC(C)[C@@H](F)C(=O)NCC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001574080155 948785164 /nfs/dbraw/zinc/78/51/64/948785164.db2.gz IMIOWLIUKUQIOU-YRGRVCCFSA-N -1 1 376.440 1.229 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CC[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001575224336 948785314 /nfs/dbraw/zinc/78/53/14/948785314.db2.gz UETLETQOAQATLT-QWRGUYRKSA-N -1 1 392.414 1.789 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CC[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575224336 948785326 /nfs/dbraw/zinc/78/53/26/948785326.db2.gz UETLETQOAQATLT-QWRGUYRKSA-N -1 1 392.414 1.789 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)n1 ZINC001574420211 948793412 /nfs/dbraw/zinc/79/34/12/948793412.db2.gz QIQGPVAEIGCDOS-PBKGOJFUSA-N -1 1 391.439 1.040 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)n1 ZINC001574420211 948793423 /nfs/dbraw/zinc/79/34/23/948793423.db2.gz QIQGPVAEIGCDOS-PBKGOJFUSA-N -1 1 391.439 1.040 20 0 GDADMM CC(C)[C@H](F)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001574080815 948803806 /nfs/dbraw/zinc/80/38/06/948803806.db2.gz NTZQJEJTGVPRRR-ZWUHOBOKSA-N -1 1 388.451 1.514 20 0 GDADMM CC(C)[C@H](F)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001574080815 948803830 /nfs/dbraw/zinc/80/38/30/948803830.db2.gz NTZQJEJTGVPRRR-ZWUHOBOKSA-N -1 1 388.451 1.514 20 0 GDADMM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)n1)S(=O)(=O)c1ccc(F)cc1 ZINC001573756238 948804068 /nfs/dbraw/zinc/80/40/68/948804068.db2.gz OVHZNQAYSKKRJD-SECBINFHSA-N -1 1 376.373 1.202 20 0 GDADMM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)n1)S(=O)(=O)c1ccc(F)cc1 ZINC001573756238 948804085 /nfs/dbraw/zinc/80/40/85/948804085.db2.gz OVHZNQAYSKKRJD-SECBINFHSA-N -1 1 376.373 1.202 20 0 GDADMM C[C@H](CNC(=O)CCc1cn[nH]c1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574917194 948809699 /nfs/dbraw/zinc/80/96/99/948809699.db2.gz UAAXKPBPUUJWPJ-SSDOTTSWSA-N -1 1 381.853 1.249 20 0 GDADMM C[C@H](CNC(=O)CCc1cn[nH]c1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574917194 948809720 /nfs/dbraw/zinc/80/97/20/948809720.db2.gz UAAXKPBPUUJWPJ-SSDOTTSWSA-N -1 1 381.853 1.249 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cc1ccc(Cl)s1 ZINC001574681789 948822643 /nfs/dbraw/zinc/82/26/43/948822643.db2.gz OESLFYJIRCETSE-SECBINFHSA-N -1 1 392.876 1.921 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cc1ccc(Cl)s1 ZINC001574681789 948822650 /nfs/dbraw/zinc/82/26/50/948822650.db2.gz OESLFYJIRCETSE-SECBINFHSA-N -1 1 392.876 1.921 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1scnc1Cl ZINC001574682164 948826233 /nfs/dbraw/zinc/82/62/33/948826233.db2.gz PEZZUTKYWJXAIN-ZETCQYMHSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1scnc1Cl ZINC001574682164 948826252 /nfs/dbraw/zinc/82/62/52/948826252.db2.gz PEZZUTKYWJXAIN-ZETCQYMHSA-N -1 1 379.837 1.387 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nnn[n-]2)CC1 ZINC001575227369 948828254 /nfs/dbraw/zinc/82/82/54/948828254.db2.gz VGALQPRACBUUQF-MXWKQRLJSA-N -1 1 390.398 1.318 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nn[n-]n2)CC1 ZINC001575227369 948828270 /nfs/dbraw/zinc/82/82/70/948828270.db2.gz VGALQPRACBUUQF-MXWKQRLJSA-N -1 1 390.398 1.318 20 0 GDADMM CC(C)c1ccoc1C(=O)N1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574421959 948828253 /nfs/dbraw/zinc/82/82/53/948828253.db2.gz SAWQIOBUAYDCNA-LBPRGKRZSA-N -1 1 382.428 1.947 20 0 GDADMM CC(C)c1ccoc1C(=O)N1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574421959 948828269 /nfs/dbraw/zinc/82/82/69/948828269.db2.gz SAWQIOBUAYDCNA-LBPRGKRZSA-N -1 1 382.428 1.947 20 0 GDADMM CC(F)(F)CC(=O)N1CCC2(C1)CCN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001575227612 948830777 /nfs/dbraw/zinc/83/07/77/948830777.db2.gz VYIZEJHRJHSMKX-UHFFFAOYSA-N -1 1 392.414 1.521 20 0 GDADMM C[C@H](CNC(=O)CCCc1cccnc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574918142 948835529 /nfs/dbraw/zinc/83/55/29/948835529.db2.gz GIKGFJWEGJUYNU-CYBMUJFWSA-N -1 1 381.444 1.016 20 0 GDADMM C[C@H](CNC(=O)CCCc1cccnc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574918142 948835541 /nfs/dbraw/zinc/83/55/41/948835541.db2.gz GIKGFJWEGJUYNU-CYBMUJFWSA-N -1 1 381.444 1.016 20 0 GDADMM CC(F)(F)CC(=O)N[C@H]1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001575229132 948839503 /nfs/dbraw/zinc/83/95/03/948839503.db2.gz CHDOUKAXGDRWCF-XYPYZODXSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CC(=O)N[C@H]1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001575229132 948839521 /nfs/dbraw/zinc/83/95/21/948839521.db2.gz CHDOUKAXGDRWCF-XYPYZODXSA-N -1 1 380.403 1.789 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ncoc1C(C)(C)C ZINC001574683213 948847693 /nfs/dbraw/zinc/84/76/93/948847693.db2.gz VXSXNPVWTFIFAF-JTQLQIEISA-N -1 1 385.432 1.563 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ncoc1C(C)(C)C ZINC001574683213 948847708 /nfs/dbraw/zinc/84/77/08/948847708.db2.gz VXSXNPVWTFIFAF-JTQLQIEISA-N -1 1 385.432 1.563 20 0 GDADMM CC(C)c1ccsc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574424591 948857587 /nfs/dbraw/zinc/85/75/87/948857587.db2.gz QZHVRBYHQIQAMD-NSHDSACASA-N -1 1 384.469 1.590 20 0 GDADMM CC(C)c1nc(C(=O)N[C@@H](C)[C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)cs1 ZINC001574424583 948858419 /nfs/dbraw/zinc/85/84/19/948858419.db2.gz QWGMSOVLJTWGIC-ZJUUUORDSA-N -1 1 387.473 1.277 20 0 GDADMM CC(C)c1nc(C(=O)N[C@@H](C)[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)cs1 ZINC001574424928 948861551 /nfs/dbraw/zinc/86/15/51/948861551.db2.gz XGJMGMNJXNWGML-UWVGGRQHSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1nc(C(=O)N[C@@H](C)[C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)cs1 ZINC001574424928 948861565 /nfs/dbraw/zinc/86/15/65/948861565.db2.gz XGJMGMNJXNWGML-UWVGGRQHSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H]2[C@@H](CCN2c2cnc(-c3nnn[n-]3)cn2)C1)C1CC1 ZINC001573764272 948885752 /nfs/dbraw/zinc/88/57/52/948885752.db2.gz LHFNIQXQHWAOFQ-SWLSCSKDSA-N -1 1 382.472 1.520 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H]2[C@@H](CCN2c2cnc(-c3nn[n-]n3)cn2)C1)C1CC1 ZINC001573764272 948885763 /nfs/dbraw/zinc/88/57/63/948885763.db2.gz LHFNIQXQHWAOFQ-SWLSCSKDSA-N -1 1 382.472 1.520 20 0 GDADMM CC(C)[C@]1(C)C[C@@H]1C(=O)NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574087928 948903335 /nfs/dbraw/zinc/90/33/35/948903335.db2.gz BMCOOBRGORPQIH-KUHUBIRLSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)[C@@H]1CC1(F)F ZINC001574685073 948903932 /nfs/dbraw/zinc/90/39/32/948903932.db2.gz RYZLHXGDDDOZSN-WDSKDSINSA-N -1 1 377.808 1.939 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)[C@@H]1CC1(F)F ZINC001574685073 948903944 /nfs/dbraw/zinc/90/39/44/948903944.db2.gz RYZLHXGDDDOZSN-WDSKDSINSA-N -1 1 377.808 1.939 20 0 GDADMM CC(C)[C@]1(C)C[C@H]1C(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001574088003 948905465 /nfs/dbraw/zinc/90/54/65/948905465.db2.gz CRDZGXMZMMTECN-LJPSSGMGSA-N -1 1 382.472 1.234 20 0 GDADMM CC(C)[C@]1(C)C[C@H]1C(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001574088003 948905473 /nfs/dbraw/zinc/90/54/73/948905473.db2.gz CRDZGXMZMMTECN-LJPSSGMGSA-N -1 1 382.472 1.234 20 0 GDADMM CC(F)(F)CC(=O)N[C@]12CCC[C@H]1CN(c1nccnc1-c1nnn[n-]1)C2 ZINC001575234756 948907127 /nfs/dbraw/zinc/90/71/27/948907127.db2.gz DOCCEDCPUXUMGD-QFYYESIMSA-N -1 1 378.387 1.177 20 0 GDADMM CC(F)(F)CC(=O)N[C@]12CCC[C@H]1CN(c1nccnc1-c1nn[n-]n1)C2 ZINC001575234756 948907135 /nfs/dbraw/zinc/90/71/35/948907135.db2.gz DOCCEDCPUXUMGD-QFYYESIMSA-N -1 1 378.387 1.177 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@H]2[C@H](CCN2c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575234823 948908732 /nfs/dbraw/zinc/90/87/32/948908732.db2.gz GSEAWOMZDMZIIC-YPMHNXCESA-N -1 1 392.414 1.519 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@H]2[C@H](CCN2c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575234823 948908740 /nfs/dbraw/zinc/90/87/40/948908740.db2.gz GSEAWOMZDMZIIC-YPMHNXCESA-N -1 1 392.414 1.519 20 0 GDADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@@H]1CCCCO1 ZINC001574685666 948914930 /nfs/dbraw/zinc/91/49/30/948914930.db2.gz YTPNCXUZFIRCBI-BDAKNGLRSA-N -1 1 385.881 1.852 20 0 GDADMM CC(C)(C(=O)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)c1ccccc1 ZINC001573765583 948915341 /nfs/dbraw/zinc/91/53/41/948915341.db2.gz PIXZNZHOKGBCBA-UHFFFAOYSA-N -1 1 378.440 1.283 20 0 GDADMM CC(C)(C(=O)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C1CCCCC1 ZINC001573765672 948920799 /nfs/dbraw/zinc/92/07/99/948920799.db2.gz WPKUOSHDVJLAMX-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC(F)(F)CCC(=O)N1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1 ZINC001575236081 948934986 /nfs/dbraw/zinc/93/49/86/948934986.db2.gz VCYJYHWRZQKUSY-LLVKDONJSA-N -1 1 380.403 1.741 20 0 GDADMM CC(F)(F)CCC(=O)N1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C1 ZINC001575236081 948935000 /nfs/dbraw/zinc/93/50/00/948935000.db2.gz VCYJYHWRZQKUSY-LLVKDONJSA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)[C@H]1C[C@H](C(=O)N(C)CCN(C)c2nccnc2-c2nnn[n-]2)CCO1 ZINC001574089055 948941573 /nfs/dbraw/zinc/94/15/73/948941573.db2.gz CKWMIULWIMSFRD-ZIAGYGMSSA-N -1 1 388.476 1.003 20 0 GDADMM CC(C)[C@H]1C[C@H](C(=O)N(C)CCN(C)c2nccnc2-c2nn[n-]n2)CCO1 ZINC001574089055 948941584 /nfs/dbraw/zinc/94/15/84/948941584.db2.gz CKWMIULWIMSFRD-ZIAGYGMSSA-N -1 1 388.476 1.003 20 0 GDADMM CC(C)c1ncncc1C(=O)N[C@H](C)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574432912 948942410 /nfs/dbraw/zinc/94/24/10/948942410.db2.gz PDEVBUBXKXKMFD-GHMZBOCLSA-N -1 1 382.432 1.189 20 0 GDADMM CC(C)c1ncncc1C(=O)N[C@H](C)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574432912 948942428 /nfs/dbraw/zinc/94/24/28/948942428.db2.gz PDEVBUBXKXKMFD-GHMZBOCLSA-N -1 1 382.432 1.189 20 0 GDADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)NC1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574089369 948955413 /nfs/dbraw/zinc/95/54/13/948955413.db2.gz JPHFAIODFDLSAQ-BFUOFWGJSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574433399 948955703 /nfs/dbraw/zinc/95/57/03/948955703.db2.gz LNRAFLRMFSDUGG-BXUZGUMPSA-N -1 1 396.459 1.086 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574433399 948955715 /nfs/dbraw/zinc/95/57/15/948955715.db2.gz LNRAFLRMFSDUGG-BXUZGUMPSA-N -1 1 396.459 1.086 20 0 GDADMM CC(F)(F)CCC(=O)NCC1=CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575239575 948963419 /nfs/dbraw/zinc/96/34/19/948963419.db2.gz UQQBNBBTIVKTRN-UHFFFAOYSA-N -1 1 378.387 1.345 20 0 GDADMM CC(F)(F)CCC(=O)NCC1=CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575239575 948963432 /nfs/dbraw/zinc/96/34/32/948963432.db2.gz UQQBNBBTIVKTRN-UHFFFAOYSA-N -1 1 378.387 1.345 20 0 GDADMM CC(C)c1ncncc1C(=O)N[C@@H](C)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574433648 948964189 /nfs/dbraw/zinc/96/41/89/948964189.db2.gz ZTAQDWFTHUQBTO-QWRGUYRKSA-N -1 1 382.432 1.189 20 0 GDADMM CC(C)c1ncncc1C(=O)N[C@@H](C)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574433648 948964196 /nfs/dbraw/zinc/96/41/96/948964196.db2.gz ZTAQDWFTHUQBTO-QWRGUYRKSA-N -1 1 382.432 1.189 20 0 GDADMM CC(C)c1ncncc1C(=O)N[C@@H](C)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574433647 948964220 /nfs/dbraw/zinc/96/42/20/948964220.db2.gz ZTAQDWFTHUQBTO-MNOVXSKESA-N -1 1 382.432 1.189 20 0 GDADMM CC(C)c1ncncc1C(=O)N[C@@H](C)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574433647 948964227 /nfs/dbraw/zinc/96/42/27/948964227.db2.gz ZTAQDWFTHUQBTO-MNOVXSKESA-N -1 1 382.432 1.189 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001575240121 948971333 /nfs/dbraw/zinc/97/13/33/948971333.db2.gz ZQJQWBMJWHNGSY-LLVKDONJSA-N -1 1 392.414 1.567 20 0 GDADMM CC(C)(C(=O)N[C@@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C12CCC2)C(F)F ZINC001573772876 948971779 /nfs/dbraw/zinc/97/17/79/948971779.db2.gz XOSOTCKLHABFFI-GHMZBOCLSA-N -1 1 392.414 1.787 20 0 GDADMM CC(C)(C(=O)N[C@@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C12CCC2)C(F)F ZINC001573772876 948971791 /nfs/dbraw/zinc/97/17/91/948971791.db2.gz XOSOTCKLHABFFI-GHMZBOCLSA-N -1 1 392.414 1.787 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)C(C)(C)[C@@H]1CCCCO1 ZINC001574688912 948974564 /nfs/dbraw/zinc/97/45/64/948974564.db2.gz BYRNGIYPWOFDBO-STQMWFEESA-N -1 1 388.476 1.559 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)C(C)(C)[C@@H]1CCCCO1 ZINC001574688912 948974578 /nfs/dbraw/zinc/97/45/78/948974578.db2.gz BYRNGIYPWOFDBO-STQMWFEESA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001574090178 948977235 /nfs/dbraw/zinc/97/72/35/948977235.db2.gz LRTJOASRGREQKF-ZYKCCNLVSA-N -1 1 382.472 1.234 20 0 GDADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001574090178 948977245 /nfs/dbraw/zinc/97/72/45/948977245.db2.gz LRTJOASRGREQKF-ZYKCCNLVSA-N -1 1 382.472 1.234 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)NCC1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574091047 949003043 /nfs/dbraw/zinc/00/30/43/949003043.db2.gz MPRQTWPXDFZEJB-ZIAGYGMSSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)(C(=O)NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C(F)(F)F ZINC001573774501 949013466 /nfs/dbraw/zinc/01/34/66/949013466.db2.gz SVRJGUZMZJYFOA-UHFFFAOYSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(C(=O)NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C(F)(F)F ZINC001573774501 949013483 /nfs/dbraw/zinc/01/34/83/949013483.db2.gz SVRJGUZMZJYFOA-UHFFFAOYSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)c1ccccc1 ZINC001573774882 949025209 /nfs/dbraw/zinc/02/52/09/949025209.db2.gz XXZMKGIBQISPSA-HNNXBMFYSA-N -1 1 392.467 1.720 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)c1ccccc1 ZINC001573774882 949025226 /nfs/dbraw/zinc/02/52/26/949025226.db2.gz XXZMKGIBQISPSA-HNNXBMFYSA-N -1 1 392.467 1.720 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(F)F ZINC001573779448 949062624 /nfs/dbraw/zinc/06/26/24/949062624.db2.gz IIJQCQDZXRFZDX-JTQLQIEISA-N -1 1 380.403 1.281 20 0 GDADMM C[C@@H](CN(C)C(=O)C(C)(C)c1ccccc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574694263 949070605 /nfs/dbraw/zinc/07/06/05/949070605.db2.gz MNQVEZMSPDSXRN-ZDUSSCGKSA-N -1 1 380.456 1.893 20 0 GDADMM C[C@@H](CN(C)C(=O)C(C)(C)c1ccccc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574694263 949070625 /nfs/dbraw/zinc/07/06/25/949070625.db2.gz MNQVEZMSPDSXRN-ZDUSSCGKSA-N -1 1 380.456 1.893 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)C1CCC1 ZINC001573780033 949075736 /nfs/dbraw/zinc/07/57/36/949075736.db2.gz QGDJIZKHNYESAU-ZSOGYDGISA-N -1 1 382.472 1.281 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)C1CCC1 ZINC001573780033 949075760 /nfs/dbraw/zinc/07/57/60/949075760.db2.gz QGDJIZKHNYESAU-ZSOGYDGISA-N -1 1 382.472 1.281 20 0 GDADMM C[C@@H](CN(C)C(=O)C(C)(C)c1cccnc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574695118 949099167 /nfs/dbraw/zinc/09/91/67/949099167.db2.gz ZNLRSYNYBUDMFE-LBPRGKRZSA-N -1 1 381.444 1.288 20 0 GDADMM C[C@@H](CN(C)C(=O)C(C)(C)c1cccnc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574695118 949099184 /nfs/dbraw/zinc/09/91/84/949099184.db2.gz ZNLRSYNYBUDMFE-LBPRGKRZSA-N -1 1 381.444 1.288 20 0 GDADMM CC(C)c1nocc1C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574442714 949099940 /nfs/dbraw/zinc/09/99/40/949099940.db2.gz RPANUDYDENKGMA-ZWNOBZJWSA-N -1 1 383.416 1.341 20 0 GDADMM CC(C)c1nocc1C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574442714 949099960 /nfs/dbraw/zinc/09/99/60/949099960.db2.gz RPANUDYDENKGMA-ZWNOBZJWSA-N -1 1 383.416 1.341 20 0 GDADMM CC(C)c1nocc1C(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574442753 949102794 /nfs/dbraw/zinc/10/27/94/949102794.db2.gz UEGUKDCEJTYIKK-LLVKDONJSA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1nocc1C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574442753 949102804 /nfs/dbraw/zinc/10/28/04/949102804.db2.gz UEGUKDCEJTYIKK-LLVKDONJSA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1ocnc1C(=O)N(C)CCCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574446009 949115747 /nfs/dbraw/zinc/11/57/47/949115747.db2.gz FIQBSPLRDVIVST-UHFFFAOYSA-N -1 1 385.432 1.367 20 0 GDADMM CC(C)(C(=O)NCCCNc1nccnc1-c1nnn[n-]1)c1cccc(F)c1 ZINC001573782818 949135127 /nfs/dbraw/zinc/13/51/27/949135127.db2.gz YNWJDEPSPJJRNZ-UHFFFAOYSA-N -1 1 384.419 1.692 20 0 GDADMM CC(C)(C(=O)NCCCNc1nccnc1-c1nn[n-]n1)c1cccc(F)c1 ZINC001573782818 949135142 /nfs/dbraw/zinc/13/51/42/949135142.db2.gz YNWJDEPSPJJRNZ-UHFFFAOYSA-N -1 1 384.419 1.692 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCCC[C@H]1Nc1cncc(-c2nnn[n-]2)n1)C(F)F ZINC001573783169 949140338 /nfs/dbraw/zinc/14/03/38/949140338.db2.gz VPGWLBHYZHUMGK-NXEZZACHSA-N -1 1 380.403 1.787 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCCC[C@H]1Nc1cncc(-c2nn[n-]n2)n1)C(F)F ZINC001573783169 949140349 /nfs/dbraw/zinc/14/03/49/949140349.db2.gz VPGWLBHYZHUMGK-NXEZZACHSA-N -1 1 380.403 1.787 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1)C1CCC1 ZINC001573786838 949148947 /nfs/dbraw/zinc/14/89/47/949148947.db2.gz FGVNWIUZBJRWRZ-RDBSUJKOSA-N -1 1 382.472 1.709 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1)C1CCC1 ZINC001573786838 949148961 /nfs/dbraw/zinc/14/89/61/949148961.db2.gz FGVNWIUZBJRWRZ-RDBSUJKOSA-N -1 1 382.472 1.709 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)[C@@H]1CCCCO1 ZINC001573786832 949150460 /nfs/dbraw/zinc/15/04/60/949150460.db2.gz DYBVZZVFVQBAKT-SCRDCRAPSA-N -1 1 386.460 1.311 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)[C@@H]1CCCCO1 ZINC001573786832 949150468 /nfs/dbraw/zinc/15/04/68/949150468.db2.gz DYBVZZVFVQBAKT-SCRDCRAPSA-N -1 1 386.460 1.311 20 0 GDADMM CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)C(F)F ZINC001573787203 949172759 /nfs/dbraw/zinc/17/27/59/949172759.db2.gz QSDVRUTWCSIOHA-KKZNHRDASA-N -1 1 378.387 1.174 20 0 GDADMM CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)C(F)F ZINC001573787203 949172767 /nfs/dbraw/zinc/17/27/67/949172767.db2.gz QSDVRUTWCSIOHA-KKZNHRDASA-N -1 1 378.387 1.174 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574447747 949173518 /nfs/dbraw/zinc/17/35/18/949173518.db2.gz ZWHQYRONNPZLIW-LLVKDONJSA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574447747 949173533 /nfs/dbraw/zinc/17/35/33/949173533.db2.gz ZWHQYRONNPZLIW-LLVKDONJSA-N -1 1 383.416 1.485 20 0 GDADMM C[C@@H](c1ccccc1F)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1=O ZINC001575515841 949193539 /nfs/dbraw/zinc/19/35/39/949193539.db2.gz LISJHQFFYYDYLO-FZMZJTMJSA-N -1 1 382.403 1.960 20 0 GDADMM C[C@@H](c1ccccc1F)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1=O ZINC001575515841 949193555 /nfs/dbraw/zinc/19/35/55/949193555.db2.gz LISJHQFFYYDYLO-FZMZJTMJSA-N -1 1 382.403 1.960 20 0 GDADMM C[C@H](CNC(=O)C[C@@H]1C[C@H]1Cc1ccccc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574936823 949219981 /nfs/dbraw/zinc/21/99/81/949219981.db2.gz LDOWJEQBQDKTMG-BMFZPTHFSA-N -1 1 392.467 1.842 20 0 GDADMM C[C@H](CNC(=O)C[C@@H]1C[C@H]1Cc1ccccc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574936823 949220004 /nfs/dbraw/zinc/22/00/04/949220004.db2.gz LDOWJEQBQDKTMG-BMFZPTHFSA-N -1 1 392.467 1.842 20 0 GDADMM CC(C)c1scnc1C(=O)NC[C@@H](C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574451226 949222417 /nfs/dbraw/zinc/22/24/17/949222417.db2.gz HNKPPBUVPXILEG-SNVBAGLBSA-N -1 1 387.473 1.491 20 0 GDADMM CC(C)c1scnc1C(=O)NC[C@@H](C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574451226 949222440 /nfs/dbraw/zinc/22/24/40/949222440.db2.gz HNKPPBUVPXILEG-SNVBAGLBSA-N -1 1 387.473 1.491 20 0 GDADMM CC(C)c1scnc1C(=O)N(C)[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574451355 949232070 /nfs/dbraw/zinc/23/20/70/949232070.db2.gz NYFDHFFKFOCRFX-SNVBAGLBSA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)c1scnc1C(=O)N(C)[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574451355 949232094 /nfs/dbraw/zinc/23/20/94/949232094.db2.gz NYFDHFFKFOCRFX-SNVBAGLBSA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)c1oncc1C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574451489 949234811 /nfs/dbraw/zinc/23/48/11/949234811.db2.gz QCCRZTARVPKLHW-XYPYZODXSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1oncc1C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574451489 949234830 /nfs/dbraw/zinc/23/48/30/949234830.db2.gz QCCRZTARVPKLHW-XYPYZODXSA-N -1 1 383.416 1.389 20 0 GDADMM C[C@H](NC(=O)C12CC(C(C)(C)C)(C1)C2)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575255587 949237805 /nfs/dbraw/zinc/23/78/05/949237805.db2.gz RDBXGPKAHDMBRN-VMFHFQHDSA-N -1 1 384.488 1.600 20 0 GDADMM CC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)[C@H]2CCC(F)(F)C2)CC1 ZINC001575854638 949240274 /nfs/dbraw/zinc/24/02/74/949240274.db2.gz YLXYQKYLTKHZAI-NSHDSACASA-N -1 1 392.414 1.307 20 0 GDADMM CC(C)CC(=O)N1CCC([C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001574103349 949243957 /nfs/dbraw/zinc/24/39/57/949243957.db2.gz QOHYVXUOOIKXGZ-OAHLLOKOSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)CC(=O)N1CCC([C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001574103349 949243975 /nfs/dbraw/zinc/24/39/75/949243975.db2.gz QOHYVXUOOIKXGZ-OAHLLOKOSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(Cl)cc1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574938651 949245987 /nfs/dbraw/zinc/24/59/87/949245987.db2.gz YDZAWJJOSPZSQH-LLVKDONJSA-N -1 1 386.847 1.717 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(Cl)cc1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574938651 949246005 /nfs/dbraw/zinc/24/60/05/949246005.db2.gz YDZAWJJOSPZSQH-LLVKDONJSA-N -1 1 386.847 1.717 20 0 GDADMM C[C@]1(c2cccc(NC(=O)Cc3ccc(-c4nnn[n-]4)nc3)c2)COC(=O)N1 ZINC001575856985 949262157 /nfs/dbraw/zinc/26/21/57/949262157.db2.gz LWSQKDNONNAGIV-GOSISDBHSA-N -1 1 379.380 1.398 20 0 GDADMM C[C@]1(c2cccc(NC(=O)Cc3ccc(-c4nn[n-]n4)nc3)c2)COC(=O)N1 ZINC001575856985 949262177 /nfs/dbraw/zinc/26/21/77/949262177.db2.gz LWSQKDNONNAGIV-GOSISDBHSA-N -1 1 379.380 1.398 20 0 GDADMM C[C@H](NC(=O)C1(CF)CCC1)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575257261 949268586 /nfs/dbraw/zinc/26/85/86/949268586.db2.gz YZPCORRJZXNGKF-QWHCGFSZSA-N -1 1 388.451 1.518 20 0 GDADMM C[C@H](NC(=O)C1(CF)CCC1)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575257261 949268610 /nfs/dbraw/zinc/26/86/10/949268610.db2.gz YZPCORRJZXNGKF-QWHCGFSZSA-N -1 1 388.451 1.518 20 0 GDADMM CC(C)n1cc(C(=O)N[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C2CC2)cn1 ZINC001574452911 949274031 /nfs/dbraw/zinc/27/40/31/949274031.db2.gz RKGASZNQANUFIT-CYBMUJFWSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cc(C(=O)N[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C2CC2)cn1 ZINC001574452911 949274053 /nfs/dbraw/zinc/27/40/53/949274053.db2.gz RKGASZNQANUFIT-CYBMUJFWSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@]1(F)CCOC1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574702772 949293400 /nfs/dbraw/zinc/29/34/00/949293400.db2.gz LOVYQVMVWCLPFC-FUXBKTLASA-N -1 1 389.844 1.364 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@]1(F)CCOC1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574702772 949293417 /nfs/dbraw/zinc/29/34/17/949293417.db2.gz LOVYQVMVWCLPFC-FUXBKTLASA-N -1 1 389.844 1.364 20 0 GDADMM CC1=CC[C@@](C)(C(=O)N(C)C[C@@H](O)CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001575860434 949296329 /nfs/dbraw/zinc/29/63/29/949296329.db2.gz IEHUVESBDYWRSC-SCLBCKFNSA-N -1 1 386.460 1.024 20 0 GDADMM CC1=CC[C@@](C)(C(=O)N(C)C[C@@H](O)CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001575860434 949296351 /nfs/dbraw/zinc/29/63/51/949296351.db2.gz IEHUVESBDYWRSC-SCLBCKFNSA-N -1 1 386.460 1.024 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(C(F)F)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001574941548 949313378 /nfs/dbraw/zinc/31/33/78/949313378.db2.gz RSWLAYLMGGCIMJ-JTQLQIEISA-N -1 1 388.382 1.754 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(C(F)F)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001574941548 949313399 /nfs/dbraw/zinc/31/33/99/949313399.db2.gz RSWLAYLMGGCIMJ-JTQLQIEISA-N -1 1 388.382 1.754 20 0 GDADMM C[C@@H](CN(C)C(=O)C1(C(F)(F)F)CCC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574703542 949339775 /nfs/dbraw/zinc/33/97/75/949339775.db2.gz WCRGOWUASMIBIX-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](CN(C)C(=O)C1(C(F)(F)F)CCC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574703542 949339796 /nfs/dbraw/zinc/33/97/96/949339796.db2.gz WCRGOWUASMIBIX-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)n1ccc(C(=O)NC[C@@H](Nc2nccnc2-c2nnn[n-]2)C2CC2)n1 ZINC001574458622 949340767 /nfs/dbraw/zinc/34/07/67/949340767.db2.gz UQTFWMDZSYSCPV-CYBMUJFWSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1ccc(C(=O)NC[C@@H](Nc2nccnc2-c2nn[n-]n2)C2CC2)n1 ZINC001574458622 949340788 /nfs/dbraw/zinc/34/07/88/949340788.db2.gz UQTFWMDZSYSCPV-CYBMUJFWSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccnc1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574942146 949340929 /nfs/dbraw/zinc/34/09/29/949340929.db2.gz WMGXSJIHYQVQBR-QMMMGPOBSA-N -1 1 378.849 1.531 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccnc1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574942146 949340954 /nfs/dbraw/zinc/34/09/54/949340954.db2.gz WMGXSJIHYQVQBR-QMMMGPOBSA-N -1 1 378.849 1.531 20 0 GDADMM CC(C)CC(=O)N1C[C@@H]2CN(c3nc(Cl)c(-c4nnn[n-]4)s3)C[C@@H]2C1 ZINC001574110202 949356198 /nfs/dbraw/zinc/35/61/98/949356198.db2.gz UTPITLTUVWEJQO-AOOOYVTPSA-N -1 1 381.893 1.917 20 0 GDADMM CC(C)CC(=O)N1C[C@@H]2CN(c3nc(Cl)c(-c4nn[n-]n4)s3)C[C@@H]2C1 ZINC001574110202 949356220 /nfs/dbraw/zinc/35/62/20/949356220.db2.gz UTPITLTUVWEJQO-AOOOYVTPSA-N -1 1 381.893 1.917 20 0 GDADMM C[C@@H]1CCC[C@H](OCC(=O)N(C)CCN(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576154721 949361995 /nfs/dbraw/zinc/36/19/95/949361995.db2.gz RNEOGYHTPYNAJI-KGLIPLIRSA-N -1 1 388.476 1.147 20 0 GDADMM CC1=CCN(c2nnc(-c3cnccn3)n2Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC001575864412 949366728 /nfs/dbraw/zinc/36/67/28/949366728.db2.gz IHPFIKWZILDOOV-UHFFFAOYSA-N -1 1 390.411 1.713 20 0 GDADMM CC1=CCN(c2nnc(-c3cnccn3)n2Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC001575864412 949366751 /nfs/dbraw/zinc/36/67/51/949366751.db2.gz IHPFIKWZILDOOV-UHFFFAOYSA-N -1 1 390.411 1.713 20 0 GDADMM C[C@H]1CCC[C@H](C(=O)N2CCC(N(C)c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576154951 949373576 /nfs/dbraw/zinc/37/35/76/949373576.db2.gz RXKXDPJYMPRWNC-KBPBESRZSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CCC[C@H](C(=O)N2CCC(N(C)c3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001576154951 949373592 /nfs/dbraw/zinc/37/35/92/949373592.db2.gz RXKXDPJYMPRWNC-KBPBESRZSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ccn[nH]1 ZINC001576155034 949378276 /nfs/dbraw/zinc/37/82/76/949378276.db2.gz GDEYPFABYSHMLV-PIGZYNQJSA-N -1 1 382.432 1.171 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCC(F)(F)C1)Nc1nccnc1-c1nnn[n-]1 ZINC001574704374 949385611 /nfs/dbraw/zinc/38/56/11/949385611.db2.gz BSGUKPUKMDPHRR-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCC(F)(F)C1)Nc1nccnc1-c1nn[n-]n1 ZINC001574704374 949385633 /nfs/dbraw/zinc/38/56/33/949385633.db2.gz BSGUKPUKMDPHRR-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM CC1(C)CN(C(=O)[C@]2(C)CCCOC2)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575528195 949390460 /nfs/dbraw/zinc/39/04/60/949390460.db2.gz OLGLZOJGSVUWOR-SCLBCKFNSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CN(C(=O)[C@]2(C)CCCOC2)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575528195 949390481 /nfs/dbraw/zinc/39/04/81/949390481.db2.gz OLGLZOJGSVUWOR-SCLBCKFNSA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)n1cnc(C(=O)N2CC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001574463905 949392960 /nfs/dbraw/zinc/39/29/60/949392960.db2.gz AULRXRMQPHWXNP-GFCCVEGCSA-N -1 1 382.432 1.008 20 0 GDADMM CC(C)n1cnc(C(=O)N2CC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001574463905 949392983 /nfs/dbraw/zinc/39/29/83/949392983.db2.gz AULRXRMQPHWXNP-GFCCVEGCSA-N -1 1 382.432 1.008 20 0 GDADMM CC(C)CC(=O)N[C@@H]1[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)[C@@H]2C1(C)C ZINC001574114175 949406722 /nfs/dbraw/zinc/40/67/22/949406722.db2.gz SCEQOGILXFXFGK-JLZZUVOBSA-N -1 1 384.488 1.812 20 0 GDADMM CC(C)CC(=O)N[C@@H]1[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)[C@@H]2C1(C)C ZINC001574114175 949406737 /nfs/dbraw/zinc/40/67/37/949406737.db2.gz SCEQOGILXFXFGK-JLZZUVOBSA-N -1 1 384.488 1.812 20 0 GDADMM CC1(C(=O)N2CC[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)CC(F)(F)C1 ZINC001575533721 949419192 /nfs/dbraw/zinc/41/91/92/949419192.db2.gz IMHXNDRXSGGNFN-JTQLQIEISA-N -1 1 378.387 1.353 20 0 GDADMM CC1(C(=O)N2CC[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)CC(F)(F)C1 ZINC001575533721 949419207 /nfs/dbraw/zinc/41/92/07/949419207.db2.gz IMHXNDRXSGGNFN-JTQLQIEISA-N -1 1 378.387 1.353 20 0 GDADMM CC(C)n1cnc(C(=O)N2C[C@@H](C)[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001574465094 949429549 /nfs/dbraw/zinc/42/95/49/949429549.db2.gz XDWJSZYPVNOWFU-DGCLKSJQSA-N -1 1 382.432 1.007 20 0 GDADMM CC(C)n1cnc(C(=O)N2C[C@@H](C)[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001574465094 949429569 /nfs/dbraw/zinc/42/95/69/949429569.db2.gz XDWJSZYPVNOWFU-DGCLKSJQSA-N -1 1 382.432 1.007 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CCCF ZINC001576156177 949432751 /nfs/dbraw/zinc/43/27/51/949432751.db2.gz LWAHSTNACPWUCE-SJCJKPOMSA-N -1 1 376.440 1.883 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CCCF ZINC001576156177 949432759 /nfs/dbraw/zinc/43/27/59/949432759.db2.gz LWAHSTNACPWUCE-SJCJKPOMSA-N -1 1 376.440 1.883 20 0 GDADMM CC(C)n1cccc1C(=O)N1CC[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574465647 949443064 /nfs/dbraw/zinc/44/30/64/949443064.db2.gz UQBVTNOSADQYRZ-CYBMUJFWSA-N -1 1 381.444 1.390 20 0 GDADMM CC(C)n1cccc1C(=O)N1CC[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574465647 949443074 /nfs/dbraw/zinc/44/30/74/949443074.db2.gz UQBVTNOSADQYRZ-CYBMUJFWSA-N -1 1 381.444 1.390 20 0 GDADMM C[C@H]1CCC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576156521 949450373 /nfs/dbraw/zinc/45/03/73/949450373.db2.gz WXSVKOAIZMLFFS-LJISPDSOSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H]1CCC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576156521 949450388 /nfs/dbraw/zinc/45/03/88/949450388.db2.gz WXSVKOAIZMLFFS-LJISPDSOSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H]1[C@H](NC(=O)C(C)(C)C2CCC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575868337 949457081 /nfs/dbraw/zinc/45/70/81/949457081.db2.gz NAXRYEKIURAZBS-GXTWGEPZSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H]1[C@H](NC(=O)C(C)(C)C2CCC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575868337 949457091 /nfs/dbraw/zinc/45/70/91/949457091.db2.gz NAXRYEKIURAZBS-GXTWGEPZSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@@H](CN(C)C(=O)C1CCC(F)(F)CC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574707301 949466989 /nfs/dbraw/zinc/46/69/89/949466989.db2.gz OOIKSWKETLECAT-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CN(C)C(=O)C1CCC(F)(F)CC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574707301 949466999 /nfs/dbraw/zinc/46/69/99/949466999.db2.gz OOIKSWKETLECAT-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)n1nccc1C(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574468792 949468839 /nfs/dbraw/zinc/46/88/39/949468839.db2.gz QVGIHUUNVCKJJW-GFCCVEGCSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1nccc1C(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574468792 949468858 /nfs/dbraw/zinc/46/88/58/949468858.db2.gz QVGIHUUNVCKJJW-GFCCVEGCSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@@H](NC(=O)C1Cc2ccccc2C1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575266540 949480560 /nfs/dbraw/zinc/48/05/60/949480560.db2.gz ZCFATYOKMIFLNN-NWDGAFQWSA-N -1 1 378.440 1.377 20 0 GDADMM C[C@@H](NC(=O)C1Cc2ccccc2C1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575266540 949480575 /nfs/dbraw/zinc/48/05/75/949480575.db2.gz ZCFATYOKMIFLNN-NWDGAFQWSA-N -1 1 378.440 1.377 20 0 GDADMM C[C@H]1CCC[C@@H]1CC(=O)NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576157333 949481431 /nfs/dbraw/zinc/48/14/31/949481431.db2.gz PTXCQWIXONRMRV-DZGCQCFKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccon1 ZINC001576157472 949487324 /nfs/dbraw/zinc/48/73/24/949487324.db2.gz QVTIYGDHMJSTKQ-PIGZYNQJSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccon1 ZINC001576157472 949487331 /nfs/dbraw/zinc/48/73/31/949487331.db2.gz QVTIYGDHMJSTKQ-PIGZYNQJSA-N -1 1 383.416 1.436 20 0 GDADMM CC1(C(=O)N2CCC(Nc3cnc(-c4nnn[n-]4)cn3)CC2)CC(F)(F)C1 ZINC001575537474 949494208 /nfs/dbraw/zinc/49/42/08/949494208.db2.gz VWSPZCHFCZRSAL-UHFFFAOYSA-N -1 1 378.387 1.495 20 0 GDADMM CC1(C(=O)N2CCC(Nc3cnc(-c4nn[n-]n4)cn3)CC2)CC(F)(F)C1 ZINC001575537474 949494224 /nfs/dbraw/zinc/49/42/24/949494224.db2.gz VWSPZCHFCZRSAL-UHFFFAOYSA-N -1 1 378.387 1.495 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C(C)(C)C(F)F)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575871070 949503214 /nfs/dbraw/zinc/50/32/14/949503214.db2.gz YKMLUWGRJKNMDY-ZJUUUORDSA-N -1 1 380.403 1.422 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C(C)(C)C(F)F)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575871070 949503229 /nfs/dbraw/zinc/50/32/29/949503229.db2.gz YKMLUWGRJKNMDY-ZJUUUORDSA-N -1 1 380.403 1.422 20 0 GDADMM C[C@@H](CC(=O)N(C)C1CC(Nc2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001574470768 949511879 /nfs/dbraw/zinc/51/18/79/949511879.db2.gz GJDDJQBXODIZKP-HSBZDZAISA-N -1 1 381.444 1.511 20 0 GDADMM C[C@@H](CC(=O)N(C)C1CC(Nc2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574470768 949511898 /nfs/dbraw/zinc/51/18/98/949511898.db2.gz GJDDJQBXODIZKP-HSBZDZAISA-N -1 1 381.444 1.511 20 0 GDADMM CC(C)n1nccc1C(=O)NCC1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574470734 949512965 /nfs/dbraw/zinc/51/29/65/949512965.db2.gz SZYMLUKSYLLGNG-UHFFFAOYSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1nccc1C(=O)NCC1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574470734 949512985 /nfs/dbraw/zinc/51/29/85/949512985.db2.gz SZYMLUKSYLLGNG-UHFFFAOYSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)CC(=O)NC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCC1(F)F ZINC001574121487 949517063 /nfs/dbraw/zinc/51/70/63/949517063.db2.gz RIMXRYKTYCPWMH-NSHDSACASA-N -1 1 380.403 1.281 20 0 GDADMM CC(C)CC(=O)NC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCC1(F)F ZINC001574121487 949517076 /nfs/dbraw/zinc/51/70/76/949517076.db2.gz RIMXRYKTYCPWMH-NSHDSACASA-N -1 1 380.403 1.281 20 0 GDADMM C[C@]1(C(=O)N2CCC[C@H](CCNc3cnc(-c4nnn[n-]4)cn3)C2)CCOC1 ZINC001575538824 949526646 /nfs/dbraw/zinc/52/66/46/949526646.db2.gz JOWTUKWGCUMWPS-ACJLOTCBSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@]1(C(=O)N2CCC[C@H](CCNc3cnc(-c4nn[n-]n4)cn3)C2)CCOC1 ZINC001575538824 949526664 /nfs/dbraw/zinc/52/66/64/949526664.db2.gz JOWTUKWGCUMWPS-ACJLOTCBSA-N -1 1 386.460 1.124 20 0 GDADMM CC1(C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)nn2)CCCC1 ZINC001575538655 949528990 /nfs/dbraw/zinc/52/89/90/949528990.db2.gz IFWVJALWDYQBAV-KGLIPLIRSA-N -1 1 382.472 1.807 20 0 GDADMM CC1(C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)nn2)CCCC1 ZINC001575538655 949529007 /nfs/dbraw/zinc/52/90/07/949529007.db2.gz IFWVJALWDYQBAV-KGLIPLIRSA-N -1 1 382.472 1.807 20 0 GDADMM CC(C)CC(=O)NC[C@@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)CCO1 ZINC001574122500 949530273 /nfs/dbraw/zinc/53/02/73/949530273.db2.gz YBGYSAKKWXUMAN-SECBINFHSA-N -1 1 385.881 1.344 20 0 GDADMM CC(C)CC(=O)NC[C@@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)CCO1 ZINC001574122500 949530284 /nfs/dbraw/zinc/53/02/84/949530284.db2.gz YBGYSAKKWXUMAN-SECBINFHSA-N -1 1 385.881 1.344 20 0 GDADMM C[C@H]1CCCN(C(=O)C2=CCCC2)[C@@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576163862 949540757 /nfs/dbraw/zinc/54/07/57/949540757.db2.gz DENMVOLCLXMJIF-DZGCQCFKSA-N -1 1 382.472 1.618 20 0 GDADMM CC1(C(=O)N2CCC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CC(F)(F)C1 ZINC001575539303 949541606 /nfs/dbraw/zinc/54/16/06/949541606.db2.gz OGZGJFDBAYSZIJ-SNVBAGLBSA-N -1 1 378.387 1.495 20 0 GDADMM CC1(C(=O)N2CCC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CC(F)(F)C1 ZINC001575539303 949541632 /nfs/dbraw/zinc/54/16/32/949541632.db2.gz OGZGJFDBAYSZIJ-SNVBAGLBSA-N -1 1 378.387 1.495 20 0 GDADMM C[C@H](NC(=O)CC1CCCC1)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575269242 949542897 /nfs/dbraw/zinc/54/28/97/949542897.db2.gz SMVMPVZVZZHOPW-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCCC[C@H]1OCC(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001576163979 949544355 /nfs/dbraw/zinc/54/43/55/949544355.db2.gz DVAWIDGAZGVMGN-IGQOVBAYSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@H]1CCCC[C@H]1OCC(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001576163979 949544367 /nfs/dbraw/zinc/54/43/67/949544367.db2.gz DVAWIDGAZGVMGN-IGQOVBAYSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@H](CC(=O)N(C)C1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001574472386 949552671 /nfs/dbraw/zinc/55/26/71/949552671.db2.gz UFLBZJSHXMVPSW-IYXRBSQSSA-N -1 1 381.444 1.511 20 0 GDADMM C[C@H](CC(=O)N(C)C1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001574472386 949552693 /nfs/dbraw/zinc/55/26/93/949552693.db2.gz UFLBZJSHXMVPSW-IYXRBSQSSA-N -1 1 381.444 1.511 20 0 GDADMM C[C@H]1[C@H](NC(=O)C23CCC(CC2)C3)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575872641 949553618 /nfs/dbraw/zinc/55/36/18/949553618.db2.gz KKZKIPXTMGIHQI-TXCIGDHXSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H]1[C@H](NC(=O)C23CCC(CC2)C3)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575872641 949553632 /nfs/dbraw/zinc/55/36/32/949553632.db2.gz KKZKIPXTMGIHQI-TXCIGDHXSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC(F)(F)F)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576164517 949555393 /nfs/dbraw/zinc/55/53/93/949555393.db2.gz GVQTUDSPOPNYMH-NXEZZACHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC(F)(F)F)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576164517 949555407 /nfs/dbraw/zinc/55/54/07/949555407.db2.gz GVQTUDSPOPNYMH-NXEZZACHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](CN(C)C(=O)C1Cc2ccccc2C1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574711947 949566016 /nfs/dbraw/zinc/56/60/16/949566016.db2.gz OLOIIYDEVGKCRK-GFCCVEGCSA-N -1 1 378.440 1.331 20 0 GDADMM C[C@H](CN(C)C(=O)C1Cc2ccccc2C1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574711947 949566031 /nfs/dbraw/zinc/56/60/31/949566031.db2.gz OLOIIYDEVGKCRK-GFCCVEGCSA-N -1 1 378.440 1.331 20 0 GDADMM CC(C)C[C@@H](C(=O)N[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1)n1ccnc1 ZINC001574125547 949593436 /nfs/dbraw/zinc/59/34/36/949593436.db2.gz SKIRWBGRRGSCGH-OCCSQVGLSA-N -1 1 384.448 1.057 20 0 GDADMM CC1(C(=O)N2CCCC[C@@]3(CCN(c4cncc(-c5nnn[n-]5)n4)C3)C2)CC1 ZINC001575545542 949600339 /nfs/dbraw/zinc/60/03/39/949600339.db2.gz LLIDAIZSLXPAGF-IBGZPJMESA-N -1 1 382.472 1.666 20 0 GDADMM CC1(C(=O)N2CCCC[C@@]3(CCN(c4cncc(-c5nn[n-]n5)n4)C3)C2)CC1 ZINC001575545542 949600352 /nfs/dbraw/zinc/60/03/52/949600352.db2.gz LLIDAIZSLXPAGF-IBGZPJMESA-N -1 1 382.472 1.666 20 0 GDADMM C[C@@H](NC(=O)CCCC1CCOCC1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575271126 949614752 /nfs/dbraw/zinc/61/47/52/949614752.db2.gz INNMDDRETPVGIB-QWHCGFSZSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@@H](NC(=O)CCCC1CCOCC1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575271126 949614767 /nfs/dbraw/zinc/61/47/67/949614767.db2.gz INNMDDRETPVGIB-QWHCGFSZSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)CCCC1CCOCC1 ZINC001575271125 949616340 /nfs/dbraw/zinc/61/63/40/949616340.db2.gz INNMDDRETPVGIB-OLZOCXBDSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)CCCC1CCOCC1 ZINC001575271125 949616356 /nfs/dbraw/zinc/61/63/56/949616356.db2.gz INNMDDRETPVGIB-OLZOCXBDSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@@H]1CCCN(C(=O)Cc2ccccc2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576167982 949621899 /nfs/dbraw/zinc/62/18/99/949621899.db2.gz AZPDSHZLVILFFX-GDBMZVCRSA-N -1 1 392.467 1.360 20 0 GDADMM C[C@@H]1CCCC[C@@H]1C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001576168350 949637366 /nfs/dbraw/zinc/63/73/66/949637366.db2.gz GMQBBROWXRTITC-OCCSQVGLSA-N -1 1 390.513 1.417 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2CC3(CC3)C2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576168507 949640061 /nfs/dbraw/zinc/64/00/61/949640061.db2.gz UYXFKADNQWJHPE-IUODEOHRSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2CC3(CC3)C2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576168507 949640071 /nfs/dbraw/zinc/64/00/71/949640071.db2.gz UYXFKADNQWJHPE-IUODEOHRSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@]1(C(=O)N2CCN(c3nc(-c4nn[n-]n4)c(Cl)s3)CC2)CCOC1 ZINC001575547919 949646581 /nfs/dbraw/zinc/64/65/81/949646581.db2.gz KFPCDQUTXHBIGW-AWEZNQCLSA-N -1 1 383.865 1.052 20 0 GDADMM C[C@@H](CC(=O)N(C)CCCN(C)c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCCO1 ZINC001574477303 949646901 /nfs/dbraw/zinc/64/69/01/949646901.db2.gz PYCLOCZZAUDQIH-ZFWWWQNUSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@@H](CC(=O)N(C)CCCN(C)c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCCO1 ZINC001574477303 949646915 /nfs/dbraw/zinc/64/69/15/949646915.db2.gz PYCLOCZZAUDQIH-ZFWWWQNUSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@@H](CN(C)C(=O)CC[C@@H]1CC(C)(C)CO1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574715742 949664438 /nfs/dbraw/zinc/66/44/38/949664438.db2.gz GBJJHOKJJOIZGY-QWHCGFSZSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CN(C)C(=O)CC[C@@H]1CC(C)(C)CO1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574715742 949664455 /nfs/dbraw/zinc/66/44/55/949664455.db2.gz GBJJHOKJJOIZGY-QWHCGFSZSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CC(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccn1 ZINC001574477813 949678603 /nfs/dbraw/zinc/67/86/03/949678603.db2.gz UVXSKDMLMAJPAL-GFCCVEGCSA-N -1 1 386.485 1.419 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CCc1ccoc1 ZINC001573816919 949690587 /nfs/dbraw/zinc/69/05/87/949690587.db2.gz VNORYPHWZMOYRG-AWEZNQCLSA-N -1 1 384.444 1.825 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CCc1ccoc1 ZINC001573816919 949690610 /nfs/dbraw/zinc/69/06/10/949690610.db2.gz VNORYPHWZMOYRG-AWEZNQCLSA-N -1 1 384.444 1.825 20 0 GDADMM C[C@@H](CC(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1)c1ccc(F)cc1 ZINC001574478077 949693248 /nfs/dbraw/zinc/69/32/48/949693248.db2.gz UTXMJWJZOWXWQU-LBPRGKRZSA-N -1 1 384.419 1.860 20 0 GDADMM C[C@@H](CC(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1)c1ccc(F)cc1 ZINC001574478077 949693264 /nfs/dbraw/zinc/69/32/64/949693264.db2.gz UTXMJWJZOWXWQU-LBPRGKRZSA-N -1 1 384.419 1.860 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CC[C@H]1CCCO1 ZINC001573817143 949695518 /nfs/dbraw/zinc/69/55/18/949695518.db2.gz XNZZZEVDENWBKE-TZMCWYRMSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CC[C@H]1CCCO1 ZINC001573817143 949695531 /nfs/dbraw/zinc/69/55/31/949695531.db2.gz XNZZZEVDENWBKE-TZMCWYRMSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001573817791 949709165 /nfs/dbraw/zinc/70/91/65/949709165.db2.gz BBIVFICYGLZZDQ-MELADBBJSA-N -1 1 384.488 1.458 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001574478761 949716597 /nfs/dbraw/zinc/71/65/97/949716597.db2.gz AIACJOASPQGSHU-KBPBESRZSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574478761 949716612 /nfs/dbraw/zinc/71/66/12/949716612.db2.gz AIACJOASPQGSHU-KBPBESRZSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@@H]1CCCC1(F)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574717017 949724909 /nfs/dbraw/zinc/72/49/09/949724909.db2.gz SBVMDJDYNFIZGK-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@@H]1CCCC1(F)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574717017 949724924 /nfs/dbraw/zinc/72/49/24/949724924.db2.gz SBVMDJDYNFIZGK-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H]1CCCC[C@H]1C(=O)NCC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001576170598 949730237 /nfs/dbraw/zinc/73/02/37/949730237.db2.gz MEPPANXQZWVDFS-DZGCQCFKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H]1CCCC[C@H]1C(=O)NCC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001576170598 949730263 /nfs/dbraw/zinc/73/02/63/949730263.db2.gz MEPPANXQZWVDFS-DZGCQCFKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@]1(C(=O)N[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C2CCCC2)CCOC1 ZINC001575558502 949743541 /nfs/dbraw/zinc/74/35/41/949743541.db2.gz QEAJGVOAAICLAH-RDTXWAMCSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@]1(C(=O)N[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C2CCCC2)CCOC1 ZINC001575558502 949743561 /nfs/dbraw/zinc/74/35/61/949743561.db2.gz QEAJGVOAAICLAH-RDTXWAMCSA-N -1 1 386.460 1.170 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1csc(=O)[nH]1 ZINC001573818965 949743826 /nfs/dbraw/zinc/74/38/26/949743826.db2.gz PUDFOTXOWDUCLJ-JTQLQIEISA-N -1 1 389.445 1.075 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1CCCOCC1 ZINC001573819255 949749147 /nfs/dbraw/zinc/74/91/47/949749147.db2.gz RRWAQNOJRPERBC-OCCSQVGLSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1CCCOCC1 ZINC001573819255 949749160 /nfs/dbraw/zinc/74/91/60/949749160.db2.gz RRWAQNOJRPERBC-OCCSQVGLSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@H]1CCCN(C(=O)Cc2ccccc2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576171462 949767675 /nfs/dbraw/zinc/76/76/75/949767675.db2.gz QVGKHCJVDYLRIF-WMLDXEAASA-N -1 1 392.467 1.938 20 0 GDADMM C[C@H]1CCCN(C(=O)Cc2ccccc2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576171462 949767684 /nfs/dbraw/zinc/76/76/84/949767684.db2.gz QVGKHCJVDYLRIF-WMLDXEAASA-N -1 1 392.467 1.938 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CCC1(F)F ZINC001573821768 949778143 /nfs/dbraw/zinc/77/81/43/949778143.db2.gz DGVNBUZFPUUWSE-NXEZZACHSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CCC1(F)F ZINC001573821768 949778153 /nfs/dbraw/zinc/77/81/53/949778153.db2.gz DGVNBUZFPUUWSE-NXEZZACHSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccncc1 ZINC001574481520 949782616 /nfs/dbraw/zinc/78/26/16/949782616.db2.gz QSIZGZLPLNNTGT-OCCSQVGLSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccncc1 ZINC001574481520 949782631 /nfs/dbraw/zinc/78/26/31/949782631.db2.gz QSIZGZLPLNNTGT-OCCSQVGLSA-N -1 1 379.428 1.258 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)NC[C@H]1COCCN1c1nccnc1-c1nnn[n-]1 ZINC001574138429 949786562 /nfs/dbraw/zinc/78/65/62/949786562.db2.gz CGOHWNQVPVJQSB-KGLIPLIRSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)NC[C@H]1COCCN1c1nccnc1-c1nn[n-]n1 ZINC001574138429 949786580 /nfs/dbraw/zinc/78/65/80/949786580.db2.gz CGOHWNQVPVJQSB-KGLIPLIRSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001574481564 949787769 /nfs/dbraw/zinc/78/77/69/949787769.db2.gz RNYAUOGBTINHDU-KBPBESRZSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001574481564 949787787 /nfs/dbraw/zinc/78/77/87/949787787.db2.gz RNYAUOGBTINHDU-KBPBESRZSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1)CNc1nccnc1-c1nnn[n-]1 ZINC001574964873 949789660 /nfs/dbraw/zinc/78/96/60/949789660.db2.gz BBUKSAAVBJDOQB-CFVMTHIKSA-N -1 1 378.440 1.625 20 0 GDADMM C[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1)CNc1nccnc1-c1nn[n-]n1 ZINC001574964873 949789671 /nfs/dbraw/zinc/78/96/71/949789671.db2.gz BBUKSAAVBJDOQB-CFVMTHIKSA-N -1 1 378.440 1.625 20 0 GDADMM C[C@@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1)CNc1nccnc1-c1nnn[n-]1 ZINC001574964874 949790734 /nfs/dbraw/zinc/79/07/34/949790734.db2.gz BBUKSAAVBJDOQB-YUELXQCFSA-N -1 1 378.440 1.625 20 0 GDADMM C[C@@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1)CNc1nccnc1-c1nn[n-]n1 ZINC001574964874 949790745 /nfs/dbraw/zinc/79/07/45/949790745.db2.gz BBUKSAAVBJDOQB-YUELXQCFSA-N -1 1 378.440 1.625 20 0 GDADMM C[C@H](CN(C)C(=O)CCCc1ccccc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574721886 949828870 /nfs/dbraw/zinc/82/88/70/949828870.db2.gz OSIAUMDLNUCFNE-CQSZACIVSA-N -1 1 380.456 1.938 20 0 GDADMM C[C@H](CN(C)C(=O)CCCc1ccccc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574721886 949828895 /nfs/dbraw/zinc/82/88/95/949828895.db2.gz OSIAUMDLNUCFNE-CQSZACIVSA-N -1 1 380.456 1.938 20 0 GDADMM O=C([O-])c1cncc(NC(=O)c2cnc(I)c(O)c2)c1 ZINC001595272790 949850791 /nfs/dbraw/zinc/85/07/91/949850791.db2.gz UYOWLMLIIJVLOJ-UHFFFAOYSA-N -1 1 385.117 1.737 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2cc(Cl)c[nH]2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575885036 949861052 /nfs/dbraw/zinc/86/10/52/949861052.db2.gz KCODRABMTMUSSB-GXSJLCMTSA-N -1 1 387.835 1.426 20 0 GDADMM C[C@]1(C(=O)NC2CCC(Nc3cnc(-c4nnn[n-]4)cn3)CC2)CCCOC1 ZINC001575564753 949864265 /nfs/dbraw/zinc/86/42/65/949864265.db2.gz SGEAEMXUECAQDD-KJBLDROHSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@]1(C(=O)NC2CCC(Nc3cnc(-c4nn[n-]n4)cn3)CC2)CCCOC1 ZINC001575564753 949864285 /nfs/dbraw/zinc/86/42/85/949864285.db2.gz SGEAEMXUECAQDD-KJBLDROHSA-N -1 1 386.460 1.313 20 0 GDADMM CC(C)(C)[C@@H](O)C[C@@H](CO)NC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573825245 949870022 /nfs/dbraw/zinc/87/00/22/949870022.db2.gz OEINGENAELDVQW-BQBZGAKWSA-N -1 1 389.869 1.256 20 0 GDADMM C[C@H]1CCCN1c1nnc([C@H]2CCCOC2)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001576178286 949883771 /nfs/dbraw/zinc/88/37/71/949883771.db2.gz HEJACROQDJPADY-STQMWFEESA-N -1 1 384.444 1.982 20 0 GDADMM C[C@H]1CCCN1c1nnc([C@H]2CCCOC2)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001576178286 949883796 /nfs/dbraw/zinc/88/37/96/949883796.db2.gz HEJACROQDJPADY-STQMWFEESA-N -1 1 384.444 1.982 20 0 GDADMM CC(C)(C)C12CC(C(=O)NCC3(Nc4ccc(-c5nnn[n-]5)nn4)CC3)(C1)C2 ZINC001573825495 949886372 /nfs/dbraw/zinc/88/63/72/949886372.db2.gz XYFHCMVXIYPDGG-UHFFFAOYSA-N -1 1 382.472 1.934 20 0 GDADMM CC(C)(C)C12CC(C(=O)NCC3(Nc4ccc(-c5nn[n-]n5)nn4)CC3)(C1)C2 ZINC001573825495 949886382 /nfs/dbraw/zinc/88/63/82/949886382.db2.gz XYFHCMVXIYPDGG-UHFFFAOYSA-N -1 1 382.472 1.934 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574143070 949888185 /nfs/dbraw/zinc/88/81/85/949888185.db2.gz FYNDXLQZLCPFBX-ZIAGYGMSSA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574143070 949888211 /nfs/dbraw/zinc/88/82/11/949888211.db2.gz FYNDXLQZLCPFBX-ZIAGYGMSSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001574484542 949890329 /nfs/dbraw/zinc/89/03/29/949890329.db2.gz JTJFFTYUJRAWIO-ZJUUUORDSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001574484542 949890345 /nfs/dbraw/zinc/89/03/45/949890345.db2.gz JTJFFTYUJRAWIO-ZJUUUORDSA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574143068 949891598 /nfs/dbraw/zinc/89/15/98/949891598.db2.gz FYNDXLQZLCPFBX-KGLIPLIRSA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574143068 949891616 /nfs/dbraw/zinc/89/16/16/949891616.db2.gz FYNDXLQZLCPFBX-KGLIPLIRSA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574143355 949892040 /nfs/dbraw/zinc/89/20/40/949892040.db2.gz GSOJSWJJLCUWLK-KBPBESRZSA-N -1 1 388.476 1.193 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574143355 949892057 /nfs/dbraw/zinc/89/20/57/949892057.db2.gz GSOJSWJJLCUWLK-KBPBESRZSA-N -1 1 388.476 1.193 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574143890 949893940 /nfs/dbraw/zinc/89/39/40/949893940.db2.gz IONAYFYKDWODCI-KBPBESRZSA-N -1 1 388.476 1.193 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574143890 949893957 /nfs/dbraw/zinc/89/39/57/949893957.db2.gz IONAYFYKDWODCI-KBPBESRZSA-N -1 1 388.476 1.193 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574143892 949894203 /nfs/dbraw/zinc/89/42/03/949894203.db2.gz IONAYFYKDWODCI-KGLIPLIRSA-N -1 1 388.476 1.193 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574143892 949894227 /nfs/dbraw/zinc/89/42/27/949894227.db2.gz IONAYFYKDWODCI-KGLIPLIRSA-N -1 1 388.476 1.193 20 0 GDADMM C[C@]1(C(=O)N[C@H]2CCN(c3snc(Cl)c3-c3nnn[n-]3)C2)CCOC1 ZINC001575569313 949912087 /nfs/dbraw/zinc/91/20/87/949912087.db2.gz IOLQAYWDLKRQAV-RTHLEPHNSA-N -1 1 383.865 1.098 20 0 GDADMM C[C@]1(C(=O)N[C@H]2CCN(c3snc(Cl)c3-c3nn[n-]n3)C2)CCOC1 ZINC001575569313 949912099 /nfs/dbraw/zinc/91/20/99/949912099.db2.gz IOLQAYWDLKRQAV-RTHLEPHNSA-N -1 1 383.865 1.098 20 0 GDADMM C[C@@]1(C(=O)N[C@H]2CCN(c3snc(Cl)c3-c3nnn[n-]3)C2)CCOC1 ZINC001575569312 949913125 /nfs/dbraw/zinc/91/31/25/949913125.db2.gz IOLQAYWDLKRQAV-RMLUDKJBSA-N -1 1 383.865 1.098 20 0 GDADMM C[C@@]1(C(=O)N[C@H]2CCN(c3snc(Cl)c3-c3nn[n-]n3)C2)CCOC1 ZINC001575569312 949913148 /nfs/dbraw/zinc/91/31/48/949913148.db2.gz IOLQAYWDLKRQAV-RMLUDKJBSA-N -1 1 383.865 1.098 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574145566 949927197 /nfs/dbraw/zinc/92/71/97/949927197.db2.gz UKYJRTCHSIJSBJ-MCIONIFRSA-N -1 1 388.476 1.557 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574145566 949927215 /nfs/dbraw/zinc/92/72/15/949927215.db2.gz UKYJRTCHSIJSBJ-MCIONIFRSA-N -1 1 388.476 1.557 20 0 GDADMM C[C@H](CC(=O)N1C[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1)C1CC1 ZINC001574487676 949935104 /nfs/dbraw/zinc/93/51/04/949935104.db2.gz AYJDLACKUKKATO-YUELXQCFSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H](CC(=O)N1C[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1)C1CC1 ZINC001574487676 949935126 /nfs/dbraw/zinc/93/51/26/949935126.db2.gz AYJDLACKUKKATO-YUELXQCFSA-N -1 1 382.472 1.378 20 0 GDADMM CC(C)(C)[C@H]1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CCO1 ZINC001573828785 949942597 /nfs/dbraw/zinc/94/25/97/949942597.db2.gz UNXKLOAGRHGICX-CQSZACIVSA-N -1 1 383.449 1.832 20 0 GDADMM C[C@@H](NC(=O)CN(C)c1ccccc1)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575285678 949956077 /nfs/dbraw/zinc/95/60/77/949956077.db2.gz PWCIPXBVSMDNRE-CHWSQXEVSA-N -1 1 381.444 1.098 20 0 GDADMM C[C@@H](NC(=O)CN(C)c1ccccc1)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575285678 949956092 /nfs/dbraw/zinc/95/60/92/949956092.db2.gz PWCIPXBVSMDNRE-CHWSQXEVSA-N -1 1 381.444 1.098 20 0 GDADMM C[C@H]1CCN(C(=O)CC(C)(F)F)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576180605 949963504 /nfs/dbraw/zinc/96/35/04/949963504.db2.gz FMDJAIFQEURVPZ-QWRGUYRKSA-N -1 1 380.403 1.020 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1)c1ccccc1 ZINC001574489979 949976497 /nfs/dbraw/zinc/97/64/97/949976497.db2.gz MHJXXFQSKMNLON-KBMXLJTQSA-N -1 1 390.451 1.640 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1)c1ccccc1 ZINC001574489979 949976517 /nfs/dbraw/zinc/97/65/17/949976517.db2.gz MHJXXFQSKMNLON-KBMXLJTQSA-N -1 1 390.451 1.640 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC001574490015 949979546 /nfs/dbraw/zinc/97/95/46/949979546.db2.gz MYQRGHRNFMBCSY-AVGNSLFASA-N -1 1 380.412 1.233 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC001574490015 949979564 /nfs/dbraw/zinc/97/95/64/949979564.db2.gz MYQRGHRNFMBCSY-AVGNSLFASA-N -1 1 380.412 1.233 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2ccc(F)s2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575891099 949985715 /nfs/dbraw/zinc/98/57/15/949985715.db2.gz DXVXIHWOAQTVFN-NXEZZACHSA-N -1 1 388.432 1.645 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2ccc(F)s2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575891099 949985729 /nfs/dbraw/zinc/98/57/29/949985729.db2.gz DXVXIHWOAQTVFN-NXEZZACHSA-N -1 1 388.432 1.645 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2ccc(Cl)o2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575891261 949995825 /nfs/dbraw/zinc/99/58/25/949995825.db2.gz HCFIYTBXYBCJRO-UWVGGRQHSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2ccc(Cl)o2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575891261 949995851 /nfs/dbraw/zinc/99/58/51/949995851.db2.gz HCFIYTBXYBCJRO-UWVGGRQHSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H](C)NC(=O)Cc1ccc(Cl)cc1 ZINC001575289793 950004136 /nfs/dbraw/zinc/00/41/36/950004136.db2.gz BSCYCIMTDRFFGR-MNOVXSKESA-N -1 1 386.847 1.858 20 0 GDADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)Cc1ccc(Cl)cc1 ZINC001575289793 950004160 /nfs/dbraw/zinc/00/41/60/950004160.db2.gz BSCYCIMTDRFFGR-MNOVXSKESA-N -1 1 386.847 1.858 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1)CC(C)(C)C ZINC001574490584 950006314 /nfs/dbraw/zinc/00/63/14/950006314.db2.gz VRJHVCOXGHHCKB-RDBSUJKOSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1)CC(C)(C)C ZINC001574490584 950006334 /nfs/dbraw/zinc/00/63/34/950006334.db2.gz VRJHVCOXGHHCKB-RDBSUJKOSA-N -1 1 384.488 1.909 20 0 GDADMM CC(C)(C)CC(=O)N[C@@H]1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001573834044 950013284 /nfs/dbraw/zinc/01/32/84/950013284.db2.gz DVDNEDQPHJLRLZ-BFHYXJOUSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)CC(=O)N[C@@H]1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001573834044 950013306 /nfs/dbraw/zinc/01/33/06/950013306.db2.gz DVDNEDQPHJLRLZ-BFHYXJOUSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1cc(C2CC2)no1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574728951 950015263 /nfs/dbraw/zinc/01/52/63/950015263.db2.gz LPRHJOHRNYSCAP-JTQLQIEISA-N -1 1 383.416 1.024 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1cc(C2CC2)no1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574728951 950015281 /nfs/dbraw/zinc/01/52/81/950015281.db2.gz LPRHJOHRNYSCAP-JTQLQIEISA-N -1 1 383.416 1.024 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccoc2)[C@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001576181901 950023087 /nfs/dbraw/zinc/02/30/87/950023087.db2.gz NEKMZUPZAXOZNU-WFASDCNBSA-N -1 1 382.428 1.993 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccoc2)[C@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001576181901 950023108 /nfs/dbraw/zinc/02/31/08/950023108.db2.gz NEKMZUPZAXOZNU-WFASDCNBSA-N -1 1 382.428 1.993 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001574491206 950029154 /nfs/dbraw/zinc/02/91/54/950029154.db2.gz BATFBDWIUIWOCI-ZBFHGGJFSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574491206 950029179 /nfs/dbraw/zinc/02/91/79/950029179.db2.gz BATFBDWIUIWOCI-ZBFHGGJFSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ccc2c[nH]nc2c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574730949 950041443 /nfs/dbraw/zinc/04/14/43/950041443.db2.gz TXWGYTUPLMYYNS-NSHDSACASA-N -1 1 392.427 1.035 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ccc2c[nH]nc2c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574730949 950041468 /nfs/dbraw/zinc/04/14/68/950041468.db2.gz TXWGYTUPLMYYNS-NSHDSACASA-N -1 1 392.427 1.035 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ccc(Cl)s1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574730918 950041844 /nfs/dbraw/zinc/04/18/44/950041844.db2.gz SUESTHCROPTCLQ-SECBINFHSA-N -1 1 392.876 1.873 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ccc(Cl)s1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574730918 950041864 /nfs/dbraw/zinc/04/18/64/950041864.db2.gz SUESTHCROPTCLQ-SECBINFHSA-N -1 1 392.876 1.873 20 0 GDADMM C[C@H](CC(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)n1cccc1 ZINC001574491789 950046202 /nfs/dbraw/zinc/04/62/02/950046202.db2.gz FZPXGEWZPXOEND-CYBMUJFWSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1cccnc1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574731527 950052903 /nfs/dbraw/zinc/05/29/03/950052903.db2.gz WKQNLIRSKONKTM-VIFPVBQESA-N -1 1 392.876 1.873 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1cccnc1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574731527 950052925 /nfs/dbraw/zinc/05/29/25/950052925.db2.gz WKQNLIRSKONKTM-VIFPVBQESA-N -1 1 392.876 1.873 20 0 GDADMM C[C@H](CC(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001574492384 950084409 /nfs/dbraw/zinc/08/44/09/950084409.db2.gz AMYOCWCSDWXSMN-KGLIPLIRSA-N -1 1 380.456 1.791 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cc[nH]c2)[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001576183717 950101553 /nfs/dbraw/zinc/10/15/53/950101553.db2.gz SYOZKAGOQXNQCK-OCCSQVGLSA-N -1 1 381.444 1.728 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cc[nH]c2)[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001576183717 950101567 /nfs/dbraw/zinc/10/15/67/950101567.db2.gz SYOZKAGOQXNQCK-OCCSQVGLSA-N -1 1 381.444 1.728 20 0 GDADMM C[C@H](CC(=O)NC[C@H](Nc1nccnc1-c1nnn[n-]1)C1CC1)n1cccc1 ZINC001574492865 950108348 /nfs/dbraw/zinc/10/83/48/950108348.db2.gz DHRKQWFOPIHXFT-OCCSQVGLSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](CC(=O)NC[C@H](Nc1nccnc1-c1nn[n-]n1)C1CC1)n1cccc1 ZINC001574492865 950108364 /nfs/dbraw/zinc/10/83/64/950108364.db2.gz DHRKQWFOPIHXFT-OCCSQVGLSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H]1CCN(C(=O)C2(F)CCCC2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576183957 950111138 /nfs/dbraw/zinc/11/11/38/950111138.db2.gz SJZZLRYTNNDDEF-QWHCGFSZSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@H]1CCN(C(=O)C2(F)CCCC2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576183957 950111154 /nfs/dbraw/zinc/11/11/54/950111154.db2.gz SJZZLRYTNNDDEF-QWHCGFSZSA-N -1 1 388.451 1.836 20 0 GDADMM CC1(C(=O)NC[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)CCCCC1 ZINC001575582484 950116470 /nfs/dbraw/zinc/11/64/70/950116470.db2.gz DIELIOUCWVXPKI-AWEZNQCLSA-N -1 1 384.488 1.960 20 0 GDADMM CC1(C(=O)NC[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)CCCCC1 ZINC001575582484 950116497 /nfs/dbraw/zinc/11/64/97/950116497.db2.gz DIELIOUCWVXPKI-AWEZNQCLSA-N -1 1 384.488 1.960 20 0 GDADMM C[C@@H]1CCN(C(=O)C2CC(F)(F)C2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576184104 950120542 /nfs/dbraw/zinc/12/05/42/950120542.db2.gz TYGJRLNTUAVRIZ-PWSUYJOCSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H]1CCN(C(=O)C2CC(F)(F)C2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576184104 950120555 /nfs/dbraw/zinc/12/05/55/950120555.db2.gz TYGJRLNTUAVRIZ-PWSUYJOCSA-N -1 1 392.414 1.599 20 0 GDADMM CCCc1nc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])co1 ZINC001589691629 950121528 /nfs/dbraw/zinc/12/15/28/950121528.db2.gz RQKQCIYROIVIHW-KWQFWETISA-N -1 1 377.319 1.363 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cccn2C)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576184994 950152044 /nfs/dbraw/zinc/15/20/44/950152044.db2.gz YDVLYSSPPIWUDB-WFASDCNBSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cccn2C)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576184994 950152055 /nfs/dbraw/zinc/15/20/55/950152055.db2.gz YDVLYSSPPIWUDB-WFASDCNBSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@@]1(C(=O)NCC2(Nc3cnc(-c4nnn[n-]4)cn3)CCCC2)CCCOC1 ZINC001575583745 950155642 /nfs/dbraw/zinc/15/56/42/950155642.db2.gz UERYCBGPYUJBQD-QGZVFWFLSA-N -1 1 386.460 1.314 20 0 GDADMM C[C@@]1(C(=O)NCC2(Nc3cnc(-c4nn[n-]n4)cn3)CCCC2)CCCOC1 ZINC001575583745 950155653 /nfs/dbraw/zinc/15/56/53/950155653.db2.gz UERYCBGPYUJBQD-QGZVFWFLSA-N -1 1 386.460 1.314 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](C)N(C)c1cncc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001574494331 950159833 /nfs/dbraw/zinc/15/98/33/950159833.db2.gz KJBVOBZCBQGLIO-ZIAGYGMSSA-N -1 1 380.456 1.791 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](C)N(C)c1cncc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001574494331 950159844 /nfs/dbraw/zinc/15/98/44/950159844.db2.gz KJBVOBZCBQGLIO-ZIAGYGMSSA-N -1 1 380.456 1.791 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccsn2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576190538 950163146 /nfs/dbraw/zinc/16/31/46/950163146.db2.gz AKTJMXIUOFGDEJ-MNOVXSKESA-N -1 1 385.457 1.324 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccsn2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576190538 950163154 /nfs/dbraw/zinc/16/31/54/950163154.db2.gz AKTJMXIUOFGDEJ-MNOVXSKESA-N -1 1 385.457 1.324 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccncc2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576191027 950180296 /nfs/dbraw/zinc/18/02/96/950180296.db2.gz CNLVSZWNSVHICC-TZMCWYRMSA-N -1 1 379.428 1.262 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccncc2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576191027 950180309 /nfs/dbraw/zinc/18/03/09/950180309.db2.gz CNLVSZWNSVHICC-TZMCWYRMSA-N -1 1 379.428 1.262 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1ccc(=O)[nH]c1 ZINC001574155021 950183832 /nfs/dbraw/zinc/18/38/32/950183832.db2.gz IAGHENCXIVHZMV-LBPRGKRZSA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ccc(=O)[nH]c1 ZINC001574155021 950183844 /nfs/dbraw/zinc/18/38/44/950183844.db2.gz IAGHENCXIVHZMV-LBPRGKRZSA-N -1 1 383.416 1.014 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cccn2C)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576191144 950189069 /nfs/dbraw/zinc/18/90/69/950189069.db2.gz GLRJEAJTCQIALV-CHWSQXEVSA-N -1 1 381.444 1.206 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cccn2C)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576191144 950189078 /nfs/dbraw/zinc/18/90/78/950189078.db2.gz GLRJEAJTCQIALV-CHWSQXEVSA-N -1 1 381.444 1.206 20 0 GDADMM C[C@@H](CN(C)C(=O)c1c(F)ccc(F)c1F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574739963 950213126 /nfs/dbraw/zinc/21/31/26/950213126.db2.gz AHZQRZFBUIOLKB-QMMMGPOBSA-N -1 1 392.345 1.069 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CCn1cccc1 ZINC001574156133 950226671 /nfs/dbraw/zinc/22/66/71/950226671.db2.gz XIEPXPLBZOZUBM-CQSZACIVSA-N -1 1 383.460 1.491 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CCn1cccc1 ZINC001574156133 950226690 /nfs/dbraw/zinc/22/66/90/950226690.db2.gz XIEPXPLBZOZUBM-CQSZACIVSA-N -1 1 383.460 1.491 20 0 GDADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)n1cccc1 ZINC001574156207 950233111 /nfs/dbraw/zinc/23/31/11/950233111.db2.gz YXTKWTDDYYGWPV-KGLIPLIRSA-N -1 1 383.460 1.084 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCC1)[C@@H]1CCCO1 ZINC001574497861 950246383 /nfs/dbraw/zinc/24/63/83/950246383.db2.gz FHIOTTLZJPRLEO-OCCSQVGLSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCC1)[C@@H]1CCCO1 ZINC001574497861 950246402 /nfs/dbraw/zinc/24/64/02/950246402.db2.gz FHIOTTLZJPRLEO-OCCSQVGLSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](CC(=O)NC[C@]1(C)CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1CC1 ZINC001574498054 950255221 /nfs/dbraw/zinc/25/52/21/950255221.db2.gz JDFHECQMQMHICW-DJJJIMSYSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](CC(=O)NC[C@]1(C)CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1CC1 ZINC001574498054 950255241 /nfs/dbraw/zinc/25/52/41/950255241.db2.gz JDFHECQMQMHICW-DJJJIMSYSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2sccc2F)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575902469 950259209 /nfs/dbraw/zinc/25/92/09/950259209.db2.gz VMLSMXRHWQLMPW-GXSJLCMTSA-N -1 1 388.432 1.645 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2sccc2F)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575902469 950259227 /nfs/dbraw/zinc/25/92/27/950259227.db2.gz VMLSMXRHWQLMPW-GXSJLCMTSA-N -1 1 388.432 1.645 20 0 GDADMM CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)NCc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573849879 950263239 /nfs/dbraw/zinc/26/32/39/950263239.db2.gz DUGLXQDDSBJQPQ-SNVBAGLBSA-N -1 1 378.414 1.031 20 0 GDADMM C[C@@H](CN(C)C(=O)c1[nH]cnc1C(C)(C)C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574742106 950270429 /nfs/dbraw/zinc/27/04/29/950270429.db2.gz LOXNHDJXAOOMAD-JTQLQIEISA-N -1 1 384.448 1.250 20 0 GDADMM CC1(C(=O)NC[C@H]2CCCN2c2nccnc2-c2nnn[n-]2)CC(F)(F)C1 ZINC001575589987 950271448 /nfs/dbraw/zinc/27/14/48/950271448.db2.gz ZVUPHRXWPMXMHH-SNVBAGLBSA-N -1 1 378.387 1.177 20 0 GDADMM CC1(C(=O)NC[C@H]2CCCN2c2nccnc2-c2nn[n-]n2)CC(F)(F)C1 ZINC001575589987 950271463 /nfs/dbraw/zinc/27/14/63/950271463.db2.gz ZVUPHRXWPMXMHH-SNVBAGLBSA-N -1 1 378.387 1.177 20 0 GDADMM C[C@@H]1CCN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C[C@H]1O ZINC001576192943 950274848 /nfs/dbraw/zinc/27/48/48/950274848.db2.gz RPUAQVAUVRGXLB-ZWNOBZJWSA-N -1 1 386.391 1.426 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cccnc2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576192914 950275372 /nfs/dbraw/zinc/27/53/72/950275372.db2.gz RHTPKIMEGPUMSM-OCCSQVGLSA-N -1 1 379.428 1.262 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cccnc2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576192914 950275391 /nfs/dbraw/zinc/27/53/91/950275391.db2.gz RHTPKIMEGPUMSM-OCCSQVGLSA-N -1 1 379.428 1.262 20 0 GDADMM CC1(C(=O)NCC[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CCCCC1 ZINC001575592637 950290889 /nfs/dbraw/zinc/29/08/89/950290889.db2.gz IEWJAUWYGOSEBO-AWEZNQCLSA-N -1 1 384.488 1.960 20 0 GDADMM CC1(C(=O)NCC[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CCCCC1 ZINC001575592637 950290905 /nfs/dbraw/zinc/29/09/05/950290905.db2.gz IEWJAUWYGOSEBO-AWEZNQCLSA-N -1 1 384.488 1.960 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H](C)C(C)(F)F ZINC001574159250 950294946 /nfs/dbraw/zinc/29/49/46/950294946.db2.gz URHAKYUECYQUDX-WDEREUQCSA-N -1 1 382.419 1.891 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H](C)C(C)(F)F ZINC001574159250 950294960 /nfs/dbraw/zinc/29/49/60/950294960.db2.gz URHAKYUECYQUDX-WDEREUQCSA-N -1 1 382.419 1.891 20 0 GDADMM CC1(C(=O)NC[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CCC2(F)F)CCC1 ZINC001575592880 950301293 /nfs/dbraw/zinc/30/12/93/950301293.db2.gz CYXWYSMIANEKMA-LLVKDONJSA-N -1 1 392.414 1.425 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)Cc1cscn1 ZINC001574159643 950310357 /nfs/dbraw/zinc/31/03/57/950310357.db2.gz XHOIAPHTTFJMHD-NSHDSACASA-N -1 1 387.473 1.299 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)Cc1cscn1 ZINC001574159643 950310377 /nfs/dbraw/zinc/31/03/77/950310377.db2.gz XHOIAPHTTFJMHD-NSHDSACASA-N -1 1 387.473 1.299 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001573852909 950312847 /nfs/dbraw/zinc/31/28/47/950312847.db2.gz KYLMITKJQZEHGW-GOSISDBHSA-N -1 1 387.444 1.525 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001573852909 950312868 /nfs/dbraw/zinc/31/28/68/950312868.db2.gz KYLMITKJQZEHGW-GOSISDBHSA-N -1 1 387.444 1.525 20 0 GDADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccc(Cl)o1 ZINC001574159705 950314047 /nfs/dbraw/zinc/31/40/47/950314047.db2.gz YBWJGNNQLQIAEY-SNVBAGLBSA-N -1 1 390.835 1.582 20 0 GDADMM C[C@@H]1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576194034 950327905 /nfs/dbraw/zinc/32/79/05/950327905.db2.gz XUGPXEKICYNVGQ-NIFZNCRKSA-N -1 1 382.472 1.599 20 0 GDADMM C[C@@H]1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576194034 950327927 /nfs/dbraw/zinc/32/79/27/950327927.db2.gz XUGPXEKICYNVGQ-NIFZNCRKSA-N -1 1 382.472 1.599 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C=Cc1ccco1 ZINC001574160088 950327965 /nfs/dbraw/zinc/32/79/65/950327965.db2.gz KTYSCICDBRYGPN-SZZPACECSA-N -1 1 382.428 1.906 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C=Cc1ccco1 ZINC001574160088 950327987 /nfs/dbraw/zinc/32/79/87/950327987.db2.gz KTYSCICDBRYGPN-SZZPACECSA-N -1 1 382.428 1.906 20 0 GDADMM CC1(C(=O)NCC[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CC(F)(F)C1 ZINC001575593998 950329712 /nfs/dbraw/zinc/32/97/12/950329712.db2.gz QWFQTDSVVUIZKB-NSHDSACASA-N -1 1 392.414 1.425 20 0 GDADMM CC1(C(=O)NCC[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CC(F)(F)C1 ZINC001575593998 950329731 /nfs/dbraw/zinc/32/97/31/950329731.db2.gz QWFQTDSVVUIZKB-NSHDSACASA-N -1 1 392.414 1.425 20 0 GDADMM CC1(C(=O)NCCCNc2ccc(-c3nnn[n-]3)nn2)CCC(F)(F)CC1 ZINC001575594428 950331216 /nfs/dbraw/zinc/33/12/16/950331216.db2.gz TXJRTTJZGUSQGT-UHFFFAOYSA-N -1 1 380.403 1.791 20 0 GDADMM CC1(C(=O)NCCCNc2ccc(-c3nn[n-]n3)nn2)CCC(F)(F)CC1 ZINC001575594428 950331237 /nfs/dbraw/zinc/33/12/37/950331237.db2.gz TXJRTTJZGUSQGT-UHFFFAOYSA-N -1 1 380.403 1.791 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)o2)[C@H](F)C1 ZINC001573853761 950334012 /nfs/dbraw/zinc/33/40/12/950334012.db2.gz VFNCOJHOKHQHSP-NXEZZACHSA-N -1 1 380.380 1.537 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)o2)[C@H](F)C1 ZINC001573853761 950334034 /nfs/dbraw/zinc/33/40/34/950334034.db2.gz VFNCOJHOKHQHSP-NXEZZACHSA-N -1 1 380.380 1.537 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@]1(C)CCCOC1 ZINC001574161300 950354950 /nfs/dbraw/zinc/35/49/50/950354950.db2.gz SMLYCEDNTGQSNB-ACJLOTCBSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@]1(C)CCCOC1 ZINC001574161300 950354969 /nfs/dbraw/zinc/35/49/69/950354969.db2.gz SMLYCEDNTGQSNB-ACJLOTCBSA-N -1 1 388.476 1.416 20 0 GDADMM CC1(C(=O)NC[C@@H]2CN(Cc3ccc(-c4nn[n-]n4)s3)CCO2)CCC1 ZINC001575596087 950366557 /nfs/dbraw/zinc/36/65/57/950366557.db2.gz RUGDKNZOJMSHHC-GFCCVEGCSA-N -1 1 376.486 1.435 20 0 GDADMM C[C@@H](CC(=O)NCCC1CCN(c2nccnc2-c2nnn[n-]2)CC1)C1CC1 ZINC001574502322 950371052 /nfs/dbraw/zinc/37/10/52/950371052.db2.gz LXGPQDVEEYETOL-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](CC(=O)NCCC1CCN(c2nccnc2-c2nn[n-]n2)CC1)C1CC1 ZINC001574502322 950371072 /nfs/dbraw/zinc/37/10/72/950371072.db2.gz LXGPQDVEEYETOL-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1)C(F)(F)F ZINC001574502658 950386555 /nfs/dbraw/zinc/38/65/55/950386555.db2.gz PDCUVDMRGGGZTR-ZJUUUORDSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1)C(F)(F)F ZINC001574502658 950386569 /nfs/dbraw/zinc/38/65/69/950386569.db2.gz PDCUVDMRGGGZTR-ZJUUUORDSA-N -1 1 384.366 1.330 20 0 GDADMM CC1(C(=O)NC[C@@H]2c3ccccc3CCN2c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575596995 950391892 /nfs/dbraw/zinc/39/18/92/950391892.db2.gz WVROFKWSFFGASB-MRXNPFEDSA-N -1 1 390.451 1.677 20 0 GDADMM CC1(C(=O)NC[C@@H]2c3ccccc3CCN2c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575596995 950391908 /nfs/dbraw/zinc/39/19/08/950391908.db2.gz WVROFKWSFFGASB-MRXNPFEDSA-N -1 1 390.451 1.677 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H](C)C(F)(F)F ZINC001574162706 950401465 /nfs/dbraw/zinc/40/14/65/950401465.db2.gz HIMRWXNRWHFGGX-VHSXEESVSA-N -1 1 386.382 1.798 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H](C)C(F)(F)F ZINC001574162706 950401474 /nfs/dbraw/zinc/40/14/74/950401474.db2.gz HIMRWXNRWHFGGX-VHSXEESVSA-N -1 1 386.382 1.798 20 0 GDADMM C[C@@]1(C(=O)NCc2cc(F)c(-c3nnn[n-]3)c(F)c2)COc2ccccc2O1 ZINC001575597311 950407135 /nfs/dbraw/zinc/40/71/35/950407135.db2.gz OLGSGDPTWGGMRD-SFHVURJKSA-N -1 1 387.346 1.991 20 0 GDADMM C[C@@]1(C(=O)NCc2cc(F)c(-c3nn[n-]n3)c(F)c2)COc2ccccc2O1 ZINC001575597311 950407147 /nfs/dbraw/zinc/40/71/47/950407147.db2.gz OLGSGDPTWGGMRD-SFHVURJKSA-N -1 1 387.346 1.991 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001574503413 950410218 /nfs/dbraw/zinc/41/02/18/950410218.db2.gz VSLKVIYLKCBIDM-VHSXEESVSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001574503413 950410238 /nfs/dbraw/zinc/41/02/38/950410238.db2.gz VSLKVIYLKCBIDM-VHSXEESVSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@H](CC(=O)NCC=CCNc1cnc(-c2nnn[n-]2)cn1)c1ccncc1 ZINC001574503669 950416932 /nfs/dbraw/zinc/41/69/32/950416932.db2.gz YNXTVPQCZNZCAK-YWVDXFKGSA-N -1 1 379.428 1.330 20 0 GDADMM C[C@H](CC(=O)NCC=CCNc1cnc(-c2nn[n-]n2)cn1)c1ccncc1 ZINC001574503669 950416942 /nfs/dbraw/zinc/41/69/42/950416942.db2.gz YNXTVPQCZNZCAK-YWVDXFKGSA-N -1 1 379.428 1.330 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2n[nH]cc2-c2nnn[n-]2)C1 ZINC001573860672 950428343 /nfs/dbraw/zinc/42/83/43/950428343.db2.gz LSLGYTQOISZNLH-VHSXEESVSA-N -1 1 376.421 1.612 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2n[nH]cc2-c2nn[n-]n2)C1 ZINC001573860672 950428355 /nfs/dbraw/zinc/42/83/55/950428355.db2.gz LSLGYTQOISZNLH-VHSXEESVSA-N -1 1 376.421 1.612 20 0 GDADMM CC1(C(=O)NCc2ccc3c(c2)CN(c2cncc(-c4nnn[n-]4)n2)C3)CC1 ZINC001575599141 950429267 /nfs/dbraw/zinc/42/92/67/950429267.db2.gz DUADETIJUAMCKF-UHFFFAOYSA-N -1 1 376.424 1.593 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1cccnc1 ZINC001575910691 950429292 /nfs/dbraw/zinc/42/92/92/950429292.db2.gz AQUKTOHHVARUOZ-OCCSQVGLSA-N -1 1 379.428 1.086 20 0 GDADMM CC1(C(=O)NCc2ccc3c(c2)CN(c2cncc(-c4nn[n-]n4)n2)C3)CC1 ZINC001575599141 950429279 /nfs/dbraw/zinc/42/92/79/950429279.db2.gz DUADETIJUAMCKF-UHFFFAOYSA-N -1 1 376.424 1.593 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCc1cccnc1 ZINC001575910691 950429305 /nfs/dbraw/zinc/42/93/05/950429305.db2.gz AQUKTOHHVARUOZ-OCCSQVGLSA-N -1 1 379.428 1.086 20 0 GDADMM CC1(C(=O)NCc2ccc3c(c2)CN(c2nccnc2-c2nnn[n-]2)C3)CCC1 ZINC001575599500 950433108 /nfs/dbraw/zinc/43/31/08/950433108.db2.gz KZAMSMAMYRAPPU-UHFFFAOYSA-N -1 1 390.451 1.983 20 0 GDADMM CC1(C(=O)NCc2ccc3c(c2)CN(c2nccnc2-c2nn[n-]n2)C3)CCC1 ZINC001575599500 950433119 /nfs/dbraw/zinc/43/31/19/950433119.db2.gz KZAMSMAMYRAPPU-UHFFFAOYSA-N -1 1 390.451 1.983 20 0 GDADMM CCN(CC)CCN(C(=O)c1coc(/C=C/C(=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC001589724916 950449706 /nfs/dbraw/zinc/44/97/06/950449706.db2.gz PWKXNOHXTJEUEP-LLYBFZRZSA-N -1 1 398.481 1.349 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNC(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001573861580 950449902 /nfs/dbraw/zinc/44/99/02/950449902.db2.gz BHEKNZDKVDDFBD-CMPLNLGQSA-N -1 1 376.417 1.883 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNC(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001573861580 950449924 /nfs/dbraw/zinc/44/99/24/950449924.db2.gz BHEKNZDKVDDFBD-CMPLNLGQSA-N -1 1 376.417 1.883 20 0 GDADMM CC(C)CC1(C(=O)NC[C@@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)CCC1 ZINC001574165805 950454787 /nfs/dbraw/zinc/45/47/87/950454787.db2.gz JBGQJWWTCKGADD-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CC1(C(=O)NC[C@@H]2CCCN2c2cncc(-c3nn[n-]n3)n2)CCC1 ZINC001574165805 950454798 /nfs/dbraw/zinc/45/47/98/950454798.db2.gz JBGQJWWTCKGADD-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CC1(C(=O)N2CCCN(c3ccnc(-c4nn[n-]n4)n3)CC2)CCC1 ZINC001574166096 950459066 /nfs/dbraw/zinc/45/90/66/950459066.db2.gz LOCIGDNVFXQRPK-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)(C)OC(=O)c1cccnc1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001573863365 950475069 /nfs/dbraw/zinc/47/50/69/950475069.db2.gz FIESAXZUHYXSMY-UHFFFAOYSA-N -1 1 381.396 1.793 20 0 GDADMM CC(C)(C)OC(=O)c1cccnc1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001573863365 950475073 /nfs/dbraw/zinc/47/50/73/950475073.db2.gz FIESAXZUHYXSMY-UHFFFAOYSA-N -1 1 381.396 1.793 20 0 GDADMM CC(C)CC1(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nnn[n-]2)CCC1 ZINC001574166718 950476415 /nfs/dbraw/zinc/47/64/15/950476415.db2.gz WLPZQJVGDCQVPK-KBPBESRZSA-N -1 1 382.472 1.663 20 0 GDADMM CC(C)CC1(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nn[n-]n2)CCC1 ZINC001574166718 950476431 /nfs/dbraw/zinc/47/64/31/950476431.db2.gz WLPZQJVGDCQVPK-KBPBESRZSA-N -1 1 382.472 1.663 20 0 GDADMM CC(C)c1ccc(C(=O)N(C)C[C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)cn1 ZINC001574752304 950478428 /nfs/dbraw/zinc/47/84/28/950478428.db2.gz AKUOPXITAVVGAF-LBPRGKRZSA-N -1 1 381.444 1.170 20 0 GDADMM CC(C)CC1(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)CCC1 ZINC001574168141 950506247 /nfs/dbraw/zinc/50/62/47/950506247.db2.gz PVLIAIPFZRUJJZ-VIKVFOODSA-N -1 1 382.472 1.424 20 0 GDADMM CC(C)CC1(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)CCC1 ZINC001574168141 950506268 /nfs/dbraw/zinc/50/62/68/950506268.db2.gz PVLIAIPFZRUJJZ-VIKVFOODSA-N -1 1 382.472 1.424 20 0 GDADMM CC(C)(C)OCC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1nccnc1-c1nnn[n-]1 ZINC001573866975 950520644 /nfs/dbraw/zinc/52/06/44/950520644.db2.gz OWFWMRRBYNCHTA-OLZOCXBDSA-N -1 1 386.460 1.042 20 0 GDADMM CC(C)(C)OCC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1nccnc1-c1nn[n-]n1 ZINC001573866975 950520660 /nfs/dbraw/zinc/52/06/60/950520660.db2.gz OWFWMRRBYNCHTA-OLZOCXBDSA-N -1 1 386.460 1.042 20 0 GDADMM C[C@H](CNC(=O)c1cc(C(C)(C)C)on1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574996366 950526127 /nfs/dbraw/zinc/52/61/27/950526127.db2.gz LUMQXKPFKOKKBQ-JTQLQIEISA-N -1 1 385.432 1.420 20 0 GDADMM C[C@H](CNC(=O)c1cc(C(C)(C)C)on1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574996366 950526146 /nfs/dbraw/zinc/52/61/46/950526146.db2.gz LUMQXKPFKOKKBQ-JTQLQIEISA-N -1 1 385.432 1.420 20 0 GDADMM CC(C)(C)OCC(=O)N1CCCCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573867304 950527021 /nfs/dbraw/zinc/52/70/21/950527021.db2.gz UYOIYSRDOKHCRX-CYBMUJFWSA-N -1 1 388.476 1.655 20 0 GDADMM CC(C)(C)OCC(=O)N1CCCCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573867304 950527056 /nfs/dbraw/zinc/52/70/56/950527056.db2.gz UYOIYSRDOKHCRX-CYBMUJFWSA-N -1 1 388.476 1.655 20 0 GDADMM C[C@H](CNC(=O)c1cc(C(C)(C)C)on1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574996710 950534854 /nfs/dbraw/zinc/53/48/54/950534854.db2.gz OWNSXLJEMKKXMC-JTQLQIEISA-N -1 1 385.432 1.420 20 0 GDADMM C[C@H](CNC(=O)c1cc(C(C)(C)C)on1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574996710 950534865 /nfs/dbraw/zinc/53/48/65/950534865.db2.gz OWNSXLJEMKKXMC-JTQLQIEISA-N -1 1 385.432 1.420 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)COCC1CCCC1 ZINC001575916187 950535676 /nfs/dbraw/zinc/53/56/76/950535676.db2.gz PQCFQIVPASNQFJ-TZMCWYRMSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)COCC1CCCC1 ZINC001575916187 950535698 /nfs/dbraw/zinc/53/56/98/950535698.db2.gz PQCFQIVPASNQFJ-TZMCWYRMSA-N -1 1 386.460 1.265 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573869093 950551947 /nfs/dbraw/zinc/55/19/47/950551947.db2.gz JNWVWUXUVWGCGX-MRVPVSSYSA-N -1 1 385.881 1.487 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573869093 950551967 /nfs/dbraw/zinc/55/19/67/950551967.db2.gz JNWVWUXUVWGCGX-MRVPVSSYSA-N -1 1 385.881 1.487 20 0 GDADMM CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[n-]n3)n2)CCCCC1 ZINC001575614892 950555935 /nfs/dbraw/zinc/55/59/35/950555935.db2.gz UTHJUTGULWLEAW-RDBSUJKOSA-N -1 1 382.472 1.853 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)Cc1ccc(F)cc1 ZINC001575917161 950557760 /nfs/dbraw/zinc/55/77/60/950557760.db2.gz UYFKSWKSXZRGSZ-SMDDNHRTSA-N -1 1 382.403 1.440 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)Cc1ccc(F)cc1 ZINC001575917161 950557780 /nfs/dbraw/zinc/55/77/80/950557780.db2.gz UYFKSWKSXZRGSZ-SMDDNHRTSA-N -1 1 382.403 1.440 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@H]1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001573869252 950561636 /nfs/dbraw/zinc/56/16/36/950561636.db2.gz NDBKMQJNTDHXIA-CHWSQXEVSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@H]1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001573869252 950561646 /nfs/dbraw/zinc/56/16/46/950561646.db2.gz NDBKMQJNTDHXIA-CHWSQXEVSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)ccc1F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574999012 950563577 /nfs/dbraw/zinc/56/35/77/950563577.db2.gz CVCDPNJGLJHDDF-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)ccc1F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574999012 950563591 /nfs/dbraw/zinc/56/35/91/950563591.db2.gz CVCDPNJGLJHDDF-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C)c1ccncc1 ZINC001574511959 950579506 /nfs/dbraw/zinc/57/95/06/950579506.db2.gz XUDYXHLLJCPMKH-XJKCOSOUSA-N -1 1 393.455 1.186 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C)c1ccncc1 ZINC001574511959 950579523 /nfs/dbraw/zinc/57/95/23/950579523.db2.gz XUDYXHLLJCPMKH-XJKCOSOUSA-N -1 1 393.455 1.186 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C)C(F)(F)F ZINC001574513202 950594454 /nfs/dbraw/zinc/59/44/54/950594454.db2.gz JLNQKMUPSOYFPA-AEJSXWLSSA-N -1 1 384.366 1.329 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C)C(F)(F)F ZINC001574513202 950594475 /nfs/dbraw/zinc/59/44/75/950594475.db2.gz JLNQKMUPSOYFPA-AEJSXWLSSA-N -1 1 384.366 1.329 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H]1C)c1ccco1 ZINC001574513201 950595583 /nfs/dbraw/zinc/59/55/83/950595583.db2.gz JHZQDWHUZCJYEW-XQQFMLRXSA-N -1 1 382.428 1.527 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H]1C)c1ccco1 ZINC001574513201 950595600 /nfs/dbraw/zinc/59/56/00/950595600.db2.gz JHZQDWHUZCJYEW-XQQFMLRXSA-N -1 1 382.428 1.527 20 0 GDADMM CC(C)CCC(=O)N1CCC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CC[C@@H]21 ZINC001574173667 950598688 /nfs/dbraw/zinc/59/86/88/950598688.db2.gz KURQMFYTAMXQMI-ZBFHGGJFSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CCC(=O)N1CCC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CC[C@@H]21 ZINC001574173667 950598703 /nfs/dbraw/zinc/59/87/03/950598703.db2.gz KURQMFYTAMXQMI-ZBFHGGJFSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccc(C(F)F)o1 ZINC001575918649 950598842 /nfs/dbraw/zinc/59/88/42/950598842.db2.gz DLUDDQXURWTKML-DTWKUNHWSA-N -1 1 390.354 1.902 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccc(C(F)F)o1 ZINC001575918649 950598860 /nfs/dbraw/zinc/59/88/60/950598860.db2.gz DLUDDQXURWTKML-DTWKUNHWSA-N -1 1 390.354 1.902 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1occ2c1CCC2 ZINC001575919329 950609158 /nfs/dbraw/zinc/60/91/58/950609158.db2.gz GQIRVWCPRJDOKO-GWCFXTLKSA-N -1 1 380.412 1.454 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1occ2c1CCC2 ZINC001575919329 950609167 /nfs/dbraw/zinc/60/91/67/950609167.db2.gz GQIRVWCPRJDOKO-GWCFXTLKSA-N -1 1 380.412 1.454 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1scnc1Cl ZINC001575919338 950610346 /nfs/dbraw/zinc/61/03/46/950610346.db2.gz GSPRZBVYMCNJES-JGVFFNPUSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1scnc1Cl ZINC001575919338 950610361 /nfs/dbraw/zinc/61/03/61/950610361.db2.gz GSPRZBVYMCNJES-JGVFFNPUSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccc(CF)cc1 ZINC001575919609 950614647 /nfs/dbraw/zinc/61/46/47/950614647.db2.gz IIXWBRTUPWFNIE-FZMZJTMJSA-N -1 1 382.403 1.841 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccc(CF)cc1 ZINC001575919609 950614670 /nfs/dbraw/zinc/61/46/70/950614670.db2.gz IIXWBRTUPWFNIE-FZMZJTMJSA-N -1 1 382.403 1.841 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccccn1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574758819 950623084 /nfs/dbraw/zinc/62/30/84/950623084.db2.gz IBYRMFIXCYQKNU-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccccn1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574758819 950623098 /nfs/dbraw/zinc/62/30/98/950623098.db2.gz IBYRMFIXCYQKNU-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001574515173 950625012 /nfs/dbraw/zinc/62/50/12/950625012.db2.gz BJCKJGIZEBTFFW-GUBZILKMSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001574515173 950625020 /nfs/dbraw/zinc/62/50/20/950625020.db2.gz BJCKJGIZEBTFFW-GUBZILKMSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ccccc1 ZINC001574515665 950627939 /nfs/dbraw/zinc/62/79/39/950627939.db2.gz DDVGVXLJFCVUFU-YUELXQCFSA-N -1 1 378.440 1.910 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ccccc1 ZINC001574515665 950627953 /nfs/dbraw/zinc/62/79/53/950627953.db2.gz DDVGVXLJFCVUFU-YUELXQCFSA-N -1 1 378.440 1.910 20 0 GDADMM C[C@@H](CNC(=O)c1cc2c([nH]1)CCCC2)CNc1nccnc1-c1nnn[n-]1 ZINC001575001272 950629202 /nfs/dbraw/zinc/62/92/02/950629202.db2.gz JRQABRJTRNSELU-LLVKDONJSA-N -1 1 381.444 1.342 20 0 GDADMM C[C@@H](CNC(=O)c1cc2c([nH]1)CCCC2)CNc1nccnc1-c1nn[n-]n1 ZINC001575001272 950629221 /nfs/dbraw/zinc/62/92/21/950629221.db2.gz JRQABRJTRNSELU-LLVKDONJSA-N -1 1 381.444 1.342 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)cs1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575001480 950631571 /nfs/dbraw/zinc/63/15/71/950631571.db2.gz LHBOIAORNSPICA-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM CC1(C)C(C(=O)NC[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1(C)C ZINC001575620425 950631532 /nfs/dbraw/zinc/63/15/32/950631532.db2.gz XSVHPCMQLXOHKN-LBPRGKRZSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)C1CCC(C)(C)CC1 ZINC001575920279 950632343 /nfs/dbraw/zinc/63/23/43/950632343.db2.gz MDSMKFHKHSXPIK-TZMCWYRMSA-N -1 1 384.488 1.696 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)c(F)cc1F)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575001897 950644761 /nfs/dbraw/zinc/64/47/61/950644761.db2.gz OGGGCHPKFHWKKI-QMMMGPOBSA-N -1 1 392.345 1.552 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)c(F)cc1F)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575001897 950644776 /nfs/dbraw/zinc/64/47/76/950644776.db2.gz OGGGCHPKFHWKKI-QMMMGPOBSA-N -1 1 392.345 1.552 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)c(F)cc1F)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575001876 950645825 /nfs/dbraw/zinc/64/58/25/950645825.db2.gz NVLHUMDAUXQJTM-MRVPVSSYSA-N -1 1 392.345 1.329 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)c(F)cc1F)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575001876 950645838 /nfs/dbraw/zinc/64/58/38/950645838.db2.gz NVLHUMDAUXQJTM-MRVPVSSYSA-N -1 1 392.345 1.329 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)cc(Cl)c1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575001924 950647314 /nfs/dbraw/zinc/64/73/14/950647314.db2.gz PHWYHADGMGBROQ-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)cc(Cl)c1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575001924 950647327 /nfs/dbraw/zinc/64/73/27/950647327.db2.gz PHWYHADGMGBROQ-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM CC(C)c1ncc(C(=O)N(C)C[C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)s1 ZINC001574759842 950648303 /nfs/dbraw/zinc/64/83/03/950648303.db2.gz FZBYMXOUKMEUCZ-SNVBAGLBSA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)c1ncc(C(=O)N(C)C[C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)s1 ZINC001574759842 950648315 /nfs/dbraw/zinc/64/83/15/950648315.db2.gz FZBYMXOUKMEUCZ-SNVBAGLBSA-N -1 1 387.473 1.809 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001574517816 950651726 /nfs/dbraw/zinc/65/17/26/950651726.db2.gz MKFPULBYHVEMAN-IHRRRGAJSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001574517816 950651733 /nfs/dbraw/zinc/65/17/33/950651733.db2.gz MKFPULBYHVEMAN-IHRRRGAJSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](CNC(=O)c1cc2c([nH]1)CCCC2)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575003139 950673087 /nfs/dbraw/zinc/67/30/87/950673087.db2.gz YGEOQZQPVLILMF-NSHDSACASA-N -1 1 381.444 1.118 20 0 GDADMM C[C@@H](CNC(=O)c1cc2c([nH]1)CCCC2)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575003139 950673099 /nfs/dbraw/zinc/67/30/99/950673099.db2.gz YGEOQZQPVLILMF-NSHDSACASA-N -1 1 381.444 1.118 20 0 GDADMM C[C@@H]1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC001576214550 950674482 /nfs/dbraw/zinc/67/44/82/950674482.db2.gz PTXWGMCWZNGQON-CYBMUJFWSA-N -1 1 391.439 1.932 20 0 GDADMM C[C@@H]1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC001576214550 950674494 /nfs/dbraw/zinc/67/44/94/950674494.db2.gz PTXWGMCWZNGQON-CYBMUJFWSA-N -1 1 391.439 1.932 20 0 GDADMM C[C@@H]1[C@@H](Nc2cccc(F)c2-c2nn[nH]n2)CCN1C(=O)c1ncccc1[O-] ZINC001575924578 950675493 /nfs/dbraw/zinc/67/54/93/950675493.db2.gz SKKXGYZGUJGEMT-PWSUYJOCSA-N -1 1 383.387 1.822 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1ccccn1 ZINC001575924968 950676489 /nfs/dbraw/zinc/67/64/89/950676489.db2.gz GFMBETIOCYSZIS-GXTWGEPZSA-N -1 1 379.428 1.086 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1ccccn1 ZINC001575924968 950676502 /nfs/dbraw/zinc/67/65/02/950676502.db2.gz GFMBETIOCYSZIS-GXTWGEPZSA-N -1 1 379.428 1.086 20 0 GDADMM CC1(C)[C@H](NC(=O)C2CCC2)[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)[C@H]21 ZINC001575625570 950692147 /nfs/dbraw/zinc/69/21/47/950692147.db2.gz SEUMGYIOYKMSPW-APHBMKBZSA-N -1 1 382.472 1.566 20 0 GDADMM CC1(C)[C@H](NC(=O)C2CCC2)[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)[C@H]21 ZINC001575625570 950692153 /nfs/dbraw/zinc/69/21/53/950692153.db2.gz SEUMGYIOYKMSPW-APHBMKBZSA-N -1 1 382.472 1.566 20 0 GDADMM CC1(C)CC(C(=O)N2CCCC[C@@H]2CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575625841 950695406 /nfs/dbraw/zinc/69/54/06/950695406.db2.gz YABFEVINILRMEI-CQSZACIVSA-N -1 1 384.488 1.698 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573877790 950697660 /nfs/dbraw/zinc/69/76/60/950697660.db2.gz GJEKQHXLQQLWNQ-BFHYXJOUSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573877790 950697670 /nfs/dbraw/zinc/69/76/70/950697670.db2.gz GJEKQHXLQQLWNQ-BFHYXJOUSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573878319 950704376 /nfs/dbraw/zinc/70/43/76/950704376.db2.gz LUJGTXRTDPACPV-ZIAGYGMSSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)C1Cc2ccccc2C1 ZINC001575926593 950712316 /nfs/dbraw/zinc/71/23/16/950712316.db2.gz KPAUPNDCTYYHRC-LRDDRELGSA-N -1 1 390.451 1.473 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)C1Cc2ccccc2C1 ZINC001575926593 950712347 /nfs/dbraw/zinc/71/23/47/950712347.db2.gz KPAUPNDCTYYHRC-LRDDRELGSA-N -1 1 390.451 1.473 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573878537 950713747 /nfs/dbraw/zinc/71/37/47/950713747.db2.gz SNUZPINPZUMICA-CHWSQXEVSA-N -1 1 390.513 1.273 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)C1CCC(F)(F)CC1 ZINC001575926619 950717884 /nfs/dbraw/zinc/71/78/84/950717884.db2.gz KTSJJDYIHIUWQE-PWSUYJOCSA-N -1 1 392.414 1.884 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)C1CCC(F)(F)CC1 ZINC001575926619 950717895 /nfs/dbraw/zinc/71/78/95/950717895.db2.gz KTSJJDYIHIUWQE-PWSUYJOCSA-N -1 1 392.414 1.884 20 0 GDADMM CC(C)(C)c1cc(C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)[nH]n1 ZINC001573879572 950728538 /nfs/dbraw/zinc/72/85/38/950728538.db2.gz GHLPNZPQWRPBNN-UHFFFAOYSA-N -1 1 386.485 1.563 20 0 GDADMM C[C@H](CN(C)C(=O)c1cnccn1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574763769 950731951 /nfs/dbraw/zinc/73/19/51/950731951.db2.gz KLEAWJFBYCQYPQ-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CN(C)C(=O)c1cnccn1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574763769 950731963 /nfs/dbraw/zinc/73/19/63/950731963.db2.gz KLEAWJFBYCQYPQ-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM CC(C)(C)c1cccc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001573882037 950764850 /nfs/dbraw/zinc/76/48/50/950764850.db2.gz OWWBTFSKJJDZDG-OAHLLOKOSA-N -1 1 392.467 1.963 20 0 GDADMM CC(C)(C)c1cccc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001573882037 950764869 /nfs/dbraw/zinc/76/48/69/950764869.db2.gz OWWBTFSKJJDZDG-OAHLLOKOSA-N -1 1 392.467 1.963 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CCC2)CC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576217802 950772434 /nfs/dbraw/zinc/77/24/34/950772434.db2.gz JKOHSZHZBXUPKL-WDEREUQCSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CCC2)CC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576217802 950772449 /nfs/dbraw/zinc/77/24/49/950772449.db2.gz JKOHSZHZBXUPKL-WDEREUQCSA-N -1 1 392.414 1.741 20 0 GDADMM CC1(C)CC(CC(=O)NC[C@H]2CCCCN2c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575632121 950789718 /nfs/dbraw/zinc/78/97/18/950789718.db2.gz AZEQILRCBUELMO-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CC(CC(=O)NC[C@H]2CCCCN2c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575632121 950789733 /nfs/dbraw/zinc/78/97/33/950789733.db2.gz AZEQILRCBUELMO-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CC(CC(=O)N2CCO[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)C1 ZINC001575632465 950799117 /nfs/dbraw/zinc/79/91/17/950799117.db2.gz IIXNJLZFOQUDNJ-ZDUSSCGKSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CC(CC(=O)N2CCO[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)C1 ZINC001575632465 950799128 /nfs/dbraw/zinc/79/91/28/950799128.db2.gz IIXNJLZFOQUDNJ-ZDUSSCGKSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)Cc1ccccc1F ZINC001575931136 950802231 /nfs/dbraw/zinc/80/22/31/950802231.db2.gz GXSUUEDTROOKMD-RISCZKNCSA-N -1 1 382.403 1.440 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)Cc1ccccc1F ZINC001575931136 950802254 /nfs/dbraw/zinc/80/22/54/950802254.db2.gz GXSUUEDTROOKMD-RISCZKNCSA-N -1 1 382.403 1.440 20 0 GDADMM CC1(C)CC(CC(=O)N2CCCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575633288 950812218 /nfs/dbraw/zinc/81/22/18/950812218.db2.gz RGYKAHGVDVJTPS-CQSZACIVSA-N -1 1 384.488 1.698 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCc1ccccc1 ZINC001575931621 950813564 /nfs/dbraw/zinc/81/35/64/950813564.db2.gz JBGZUYSCRKGBAE-DZGCQCFKSA-N -1 1 378.440 1.691 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1ccccc1 ZINC001575931621 950813579 /nfs/dbraw/zinc/81/35/79/950813579.db2.gz JBGZUYSCRKGBAE-DZGCQCFKSA-N -1 1 378.440 1.691 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)COc1ccsc1 ZINC001575931868 950814260 /nfs/dbraw/zinc/81/42/60/950814260.db2.gz JFNPQBHIADCWHJ-JQWIXIFHSA-N -1 1 386.441 1.199 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)COc1ccsc1 ZINC001575931868 950814284 /nfs/dbraw/zinc/81/42/84/950814284.db2.gz JFNPQBHIADCWHJ-JQWIXIFHSA-N -1 1 386.441 1.199 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CCC2)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576220085 950821862 /nfs/dbraw/zinc/82/18/62/950821862.db2.gz QIFIHFNYNRTSML-QWRGUYRKSA-N -1 1 392.414 1.163 20 0 GDADMM CC(C)(C)c1n[nH]cc1C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573885481 950825699 /nfs/dbraw/zinc/82/56/99/950825699.db2.gz XZXFHFOCPRMNHO-JTQLQIEISA-N -1 1 382.432 1.004 20 0 GDADMM CC(C)(C)c1n[nH]cc1C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573885481 950825716 /nfs/dbraw/zinc/82/57/16/950825716.db2.gz XZXFHFOCPRMNHO-JTQLQIEISA-N -1 1 382.432 1.004 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C2CC2)CC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576221227 950851574 /nfs/dbraw/zinc/85/15/74/950851574.db2.gz VBSMFRYQBFUCCX-STQMWFEESA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C2CC2)CC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576221227 950851588 /nfs/dbraw/zinc/85/15/88/950851588.db2.gz VBSMFRYQBFUCCX-STQMWFEESA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)CN2C(=O)c3ccccc3C2=O)n1 ZINC001573887994 950860908 /nfs/dbraw/zinc/86/09/08/950860908.db2.gz MWAAIDHAVKHDBY-UHFFFAOYSA-N -1 1 394.395 1.053 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)CN2C(=O)c3ccccc3C2=O)n1 ZINC001573887994 950860919 /nfs/dbraw/zinc/86/09/19/950860919.db2.gz MWAAIDHAVKHDBY-UHFFFAOYSA-N -1 1 394.395 1.053 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)(F)F)CC2)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576222046 950862488 /nfs/dbraw/zinc/86/24/88/950862488.db2.gz XEBDSAHAKRARGC-RKDXNWHRSA-N -1 1 382.350 1.258 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)(F)F)CC2)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576222046 950862510 /nfs/dbraw/zinc/86/25/10/950862510.db2.gz XEBDSAHAKRARGC-RKDXNWHRSA-N -1 1 382.350 1.258 20 0 GDADMM CC1(C)C[C@H](NC(=O)c2cnco2)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575639480 950869237 /nfs/dbraw/zinc/86/92/37/950869237.db2.gz BXFQCEGMMZXZQJ-LLVKDONJSA-N -1 1 383.416 1.070 20 0 GDADMM C[C@H](CN(C)C(=O)c1coc(C(C)(C)C)n1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574768061 950879560 /nfs/dbraw/zinc/87/95/60/950879560.db2.gz XHTMOGRZUGQZTO-SNVBAGLBSA-N -1 1 385.432 1.515 20 0 GDADMM C[C@H](CN(C)C(=O)c1coc(C(C)(C)C)n1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574768061 950879576 /nfs/dbraw/zinc/87/95/76/950879576.db2.gz XHTMOGRZUGQZTO-SNVBAGLBSA-N -1 1 385.432 1.515 20 0 GDADMM CC(C)c1ncsc1C(=O)N(C)C[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574768003 950881252 /nfs/dbraw/zinc/88/12/52/950881252.db2.gz SMCVUYAPYPPLTA-SNVBAGLBSA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)c1ncsc1C(=O)N(C)C[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574768003 950881273 /nfs/dbraw/zinc/88/12/73/950881273.db2.gz SMCVUYAPYPPLTA-SNVBAGLBSA-N -1 1 387.473 1.809 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCCn1cccc1 ZINC001575935589 950887066 /nfs/dbraw/zinc/88/70/66/950887066.db2.gz YGIZEIHPQGLFDU-ZIAGYGMSSA-N -1 1 381.444 1.340 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCCn1cccc1 ZINC001575935589 950887075 /nfs/dbraw/zinc/88/70/75/950887075.db2.gz YGIZEIHPQGLFDU-ZIAGYGMSSA-N -1 1 381.444 1.340 20 0 GDADMM C[C@@H](CN(C)C(=O)c1noc2c1CCCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574768905 950904182 /nfs/dbraw/zinc/90/41/82/950904182.db2.gz XFIJDSFBRQUBIT-JTQLQIEISA-N -1 1 383.416 1.096 20 0 GDADMM C[C@@H](CN(C)C(=O)c1noc2c1CCCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574768905 950904190 /nfs/dbraw/zinc/90/41/90/950904190.db2.gz XFIJDSFBRQUBIT-JTQLQIEISA-N -1 1 383.416 1.096 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccnc(C2CC2)n1 ZINC001575936244 950910939 /nfs/dbraw/zinc/91/09/39/950910939.db2.gz DHACIHQRNHVJNL-ZYHUDNBSSA-N -1 1 392.427 1.039 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccnc(C2CC2)n1 ZINC001575936244 950910954 /nfs/dbraw/zinc/91/09/54/950910954.db2.gz DHACIHQRNHVJNL-ZYHUDNBSSA-N -1 1 392.427 1.039 20 0 GDADMM CC(C)(C)n1cc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)c(=O)[nH]c1=O ZINC001573894039 950917429 /nfs/dbraw/zinc/91/74/29/950917429.db2.gz JTUHHMGEVMWZAW-UHFFFAOYSA-N -1 1 376.808 1.545 20 0 GDADMM CC(C)(C)n1cc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)c(=O)[nH]c1=O ZINC001573894039 950917437 /nfs/dbraw/zinc/91/74/37/950917437.db2.gz JTUHHMGEVMWZAW-UHFFFAOYSA-N -1 1 376.808 1.545 20 0 GDADMM CC1(C)C[C@H](NC(=O)c2cc[nH]c2)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575641421 950919676 /nfs/dbraw/zinc/91/96/76/950919676.db2.gz PUFWQUCOHCCXMA-CYBMUJFWSA-N -1 1 381.444 1.410 20 0 GDADMM CC1(C)C[C@H](NC(=O)c2cc[nH]c2)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575641421 950919688 /nfs/dbraw/zinc/91/96/88/950919688.db2.gz PUFWQUCOHCCXMA-CYBMUJFWSA-N -1 1 381.444 1.410 20 0 GDADMM CC(C)(CC(=O)NC[C@@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001573895577 950941280 /nfs/dbraw/zinc/94/12/80/950941280.db2.gz DHBQQSIWXKZGIM-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(CC(=O)NC[C@@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001573895577 950941301 /nfs/dbraw/zinc/94/13/01/950941301.db2.gz DHBQQSIWXKZGIM-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C)C1CC1 ZINC001573895584 950943969 /nfs/dbraw/zinc/94/39/69/950943969.db2.gz DJDBYGXWNIXMTF-CQSZACIVSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C)C1CC1 ZINC001573895584 950943989 /nfs/dbraw/zinc/94/39/89/950943989.db2.gz DJDBYGXWNIXMTF-CQSZACIVSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)COC1CCCCC1 ZINC001575937718 950954259 /nfs/dbraw/zinc/95/42/59/950954259.db2.gz LKUXKOFRCVIUCW-GXTWGEPZSA-N -1 1 386.460 1.407 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)COC1CCCCC1 ZINC001575937718 950954274 /nfs/dbraw/zinc/95/42/74/950954274.db2.gz LKUXKOFRCVIUCW-GXTWGEPZSA-N -1 1 386.460 1.407 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ocnc1C(F)F ZINC001575937730 950961693 /nfs/dbraw/zinc/96/16/93/950961693.db2.gz LLBULNQGMFEJFD-YUMQZZPRSA-N -1 1 391.342 1.297 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ocnc1C(F)F ZINC001575937730 950961718 /nfs/dbraw/zinc/96/17/18/950961718.db2.gz LLBULNQGMFEJFD-YUMQZZPRSA-N -1 1 391.342 1.297 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573900218 950998006 /nfs/dbraw/zinc/99/80/06/950998006.db2.gz VZWYMVKWHDIQRH-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573900218 950998015 /nfs/dbraw/zinc/99/80/15/950998015.db2.gz VZWYMVKWHDIQRH-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)F)nc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575017688 951007078 /nfs/dbraw/zinc/00/70/78/951007078.db2.gz ISEMKEUUXCUFGV-SECBINFHSA-N -1 1 389.370 1.244 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)F)nc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575017688 951007101 /nfs/dbraw/zinc/00/71/01/951007101.db2.gz ISEMKEUUXCUFGV-SECBINFHSA-N -1 1 389.370 1.244 20 0 GDADMM CC(C)c1ccc(C(=O)NC[C@H](C)CNc2cncc(-c3nnn[n-]3)n2)nc1 ZINC001575019231 951034814 /nfs/dbraw/zinc/03/48/14/951034814.db2.gz SBNDWYXKHDXXPB-GFCCVEGCSA-N -1 1 381.444 1.653 20 0 GDADMM CC(C)c1ccc(C(=O)NC[C@H](C)CNc2cncc(-c3nn[n-]n3)n2)nc1 ZINC001575019231 951034827 /nfs/dbraw/zinc/03/48/27/951034827.db2.gz SBNDWYXKHDXXPB-GFCCVEGCSA-N -1 1 381.444 1.653 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)F)cc1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575019333 951038080 /nfs/dbraw/zinc/03/80/80/951038080.db2.gz SMQCKZXKZNENRX-JTQLQIEISA-N -1 1 388.382 1.849 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)F)cc1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575019333 951038095 /nfs/dbraw/zinc/03/80/95/951038095.db2.gz SMQCKZXKZNENRX-JTQLQIEISA-N -1 1 388.382 1.849 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)F)cc1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575020084 951051806 /nfs/dbraw/zinc/05/18/06/951051806.db2.gz XRLSZUBBIMTNHZ-SNVBAGLBSA-N -1 1 388.382 1.494 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)cc1F)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575024152 951092106 /nfs/dbraw/zinc/09/21/06/951092106.db2.gz WJBUQVSJIFFDEL-VIFPVBQESA-N -1 1 390.810 1.349 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCC2)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575024586 951110637 /nfs/dbraw/zinc/11/06/37/951110637.db2.gz IEWUWWNNIDCWSE-LBPRGKRZSA-N -1 1 378.440 1.400 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001575024990 951122446 /nfs/dbraw/zinc/12/24/46/951122446.db2.gz RDYLZPOUVHGTRG-LBPRGKRZSA-N -1 1 378.440 1.766 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001575024990 951122456 /nfs/dbraw/zinc/12/24/56/951122456.db2.gz RDYLZPOUVHGTRG-LBPRGKRZSA-N -1 1 378.440 1.766 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCC2)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575025063 951126624 /nfs/dbraw/zinc/12/66/24/951126624.db2.gz UBBXILXAXNEXIS-GFCCVEGCSA-N -1 1 378.440 1.623 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCC2)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575025063 951126634 /nfs/dbraw/zinc/12/66/34/951126634.db2.gz UBBXILXAXNEXIS-GFCCVEGCSA-N -1 1 378.440 1.623 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575025365 951130993 /nfs/dbraw/zinc/13/09/93/951130993.db2.gz YKAUGBWSXZGAPN-GFCCVEGCSA-N -1 1 378.440 1.766 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575025365 951130998 /nfs/dbraw/zinc/13/09/98/951130998.db2.gz YKAUGBWSXZGAPN-GFCCVEGCSA-N -1 1 378.440 1.766 20 0 GDADMM C[C@H](CNC(=O)c1cccc(Cl)c1F)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575026958 951150771 /nfs/dbraw/zinc/15/07/71/951150771.db2.gz OOJZWZBEMWNJPY-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1cccc(Cl)c1F)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575026958 951150772 /nfs/dbraw/zinc/15/07/72/951150772.db2.gz OOJZWZBEMWNJPY-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2c1OCC2)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575027416 951156987 /nfs/dbraw/zinc/15/69/87/951156987.db2.gz FYVJNXZNWYLDKG-LLVKDONJSA-N -1 1 380.412 1.070 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2c1OCC2)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575027416 951156996 /nfs/dbraw/zinc/15/69/96/951156996.db2.gz FYVJNXZNWYLDKG-LLVKDONJSA-N -1 1 380.412 1.070 20 0 GDADMM C[C@H](CNC(=O)c1ccccc1C1CCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575029750 951189644 /nfs/dbraw/zinc/18/96/44/951189644.db2.gz XHOUCHJAYOKPDX-GFCCVEGCSA-N -1 1 378.440 1.577 20 0 GDADMM C[C@H](CNC(=O)c1cccnc1C(F)F)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575031643 951198327 /nfs/dbraw/zinc/19/83/27/951198327.db2.gz FWOYIQYYORHLAR-VIFPVBQESA-N -1 1 389.370 1.467 20 0 GDADMM C[C@H](CNC(=O)c1cccnc1C(F)F)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575031643 951198337 /nfs/dbraw/zinc/19/83/37/951198337.db2.gz FWOYIQYYORHLAR-VIFPVBQESA-N -1 1 389.370 1.467 20 0 GDADMM C[C@@H](CNC(=O)c1ccnn1C1CCCC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575034563 951252096 /nfs/dbraw/zinc/25/20/96/951252096.db2.gz NOCQFBHOGOYOGU-NSHDSACASA-N -1 1 382.432 1.199 20 0 GDADMM C[C@@H](CNC(=O)c1ccnn1C1CCCC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575034563 951252110 /nfs/dbraw/zinc/25/21/10/951252110.db2.gz NOCQFBHOGOYOGU-NSHDSACASA-N -1 1 382.432 1.199 20 0 GDADMM C[C@H](CNC(=O)c1ccn(C)n1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575036708 951302124 /nfs/dbraw/zinc/30/21/24/951302124.db2.gz WLGFFXCOGIRRLZ-SSDOTTSWSA-N -1 1 381.853 1.188 20 0 GDADMM C[C@@H](CNC(=O)c1cnc(C(C)(C)C)s1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575043996 951407253 /nfs/dbraw/zinc/40/72/53/951407253.db2.gz NPPCEYKBMBTVCI-VIFPVBQESA-N -1 1 387.473 1.641 20 0 GDADMM C[C@@H](CNC(=O)c1cnc(C(C)(C)C)s1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575043996 951407261 /nfs/dbraw/zinc/40/72/61/951407261.db2.gz NPPCEYKBMBTVCI-VIFPVBQESA-N -1 1 387.473 1.641 20 0 GDADMM CC(C)c1ncc(C(=O)NC[C@@H](C)CNc2ccnc(-c3nn[n-]n3)n2)s1 ZINC001575044549 951415823 /nfs/dbraw/zinc/41/58/23/951415823.db2.gz SIMPAAJEYQITJB-JTQLQIEISA-N -1 1 387.473 1.137 20 0 GDADMM CC(C)c1ncncc1C(=O)NC[C@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001575045414 951428180 /nfs/dbraw/zinc/42/81/80/951428180.db2.gz BYPGWVPYEREKAD-LLVKDONJSA-N -1 1 382.432 1.048 20 0 GDADMM CC(C)c1ncncc1C(=O)NC[C@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001575045414 951428189 /nfs/dbraw/zinc/42/81/89/951428189.db2.gz BYPGWVPYEREKAD-LLVKDONJSA-N -1 1 382.432 1.048 20 0 GDADMM C[C@H](CNC(=O)c1cnccn1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575046450 951440274 /nfs/dbraw/zinc/44/02/74/951440274.db2.gz OJWGAHDAZUNCHX-SSDOTTSWSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@H](CNC(=O)c1cncs1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575052482 951467171 /nfs/dbraw/zinc/46/71/71/951467171.db2.gz KBEHRSKDVPGCTM-ZCFIWIBFSA-N -1 1 384.878 1.911 20 0 GDADMM C[C@H](CNC(=O)c1cncs1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575052482 951467177 /nfs/dbraw/zinc/46/71/77/951467177.db2.gz KBEHRSKDVPGCTM-ZCFIWIBFSA-N -1 1 384.878 1.911 20 0 GDADMM CC(C)n1ncc(C(=O)NC[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)c1Cl ZINC001575053632 951478768 /nfs/dbraw/zinc/47/87/68/951478768.db2.gz SMTLPSJPARFACC-VIFPVBQESA-N -1 1 390.839 1.318 20 0 GDADMM CC(C)n1ncc(C(=O)NC[C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)c1Cl ZINC001575053632 951478776 /nfs/dbraw/zinc/47/87/76/951478776.db2.gz SMTLPSJPARFACC-VIFPVBQESA-N -1 1 390.839 1.318 20 0 GDADMM C[C@@H](CNC(=O)c1coc(C2CCC2)n1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575056178 951518578 /nfs/dbraw/zinc/51/85/78/951518578.db2.gz GGVNFMHQPPJTOX-SNVBAGLBSA-N -1 1 383.416 1.390 20 0 GDADMM C[C@@H](CNC(=O)c1coc(C2CCC2)n1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575056178 951518586 /nfs/dbraw/zinc/51/85/86/951518586.db2.gz GGVNFMHQPPJTOX-SNVBAGLBSA-N -1 1 383.416 1.390 20 0 GDADMM C[C@@H](CNC(=O)c1coc(C(F)F)c1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575057034 951524595 /nfs/dbraw/zinc/52/45/95/951524595.db2.gz NYRGEABVTZEERL-QMMMGPOBSA-N -1 1 378.343 1.442 20 0 GDADMM C[C@@H](CNC(=O)c1coc(C(F)F)c1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575057034 951524597 /nfs/dbraw/zinc/52/45/97/951524597.db2.gz NYRGEABVTZEERL-QMMMGPOBSA-N -1 1 378.343 1.442 20 0 GDADMM C[C@@H](CNC(=O)c1csc(Cl)c1)CNc1nccnc1-c1nnn[n-]1 ZINC001575057430 951526941 /nfs/dbraw/zinc/52/69/41/951526941.db2.gz PFSZTZPRUQAMQU-MRVPVSSYSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@@H](CNC(=O)c1csc(Cl)c1)CNc1nccnc1-c1nn[n-]n1 ZINC001575057430 951526948 /nfs/dbraw/zinc/52/69/48/951526948.db2.gz PFSZTZPRUQAMQU-MRVPVSSYSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@@H](CNC(=O)c1csc(Cl)c1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575057416 951527929 /nfs/dbraw/zinc/52/79/29/951527929.db2.gz PBJKJKBHOXKBFS-MRVPVSSYSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@@H](CNC(=O)c1csc(Cl)c1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575057416 951527933 /nfs/dbraw/zinc/52/79/33/951527933.db2.gz PBJKJKBHOXKBFS-MRVPVSSYSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@@H](CNC(=O)c1csc(C(C)(C)C)n1)Nc1nccnc1-c1nnn[n-]1 ZINC001575059367 951540567 /nfs/dbraw/zinc/54/05/67/951540567.db2.gz ZSOYCYPEWBBUBH-VIFPVBQESA-N -1 1 387.473 1.641 20 0 GDADMM C[C@@H](CNC(=O)c1csc(C(C)(C)C)n1)Nc1nccnc1-c1nn[n-]n1 ZINC001575059367 951540575 /nfs/dbraw/zinc/54/05/75/951540575.db2.gz ZSOYCYPEWBBUBH-VIFPVBQESA-N -1 1 387.473 1.641 20 0 GDADMM C[C@H](CNC(=O)c1cscc1Cl)CNc1nccnc1-c1nnn[n-]1 ZINC001575060881 951550255 /nfs/dbraw/zinc/55/02/55/951550255.db2.gz IRNRXDKQYGFBQE-QMMMGPOBSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@H](CNC(=O)c1cscc1Cl)CNc1nccnc1-c1nn[n-]n1 ZINC001575060881 951550263 /nfs/dbraw/zinc/55/02/63/951550263.db2.gz IRNRXDKQYGFBQE-QMMMGPOBSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@@H](CNC(=O)c1cscc1Cl)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575061645 951560016 /nfs/dbraw/zinc/56/00/16/951560016.db2.gz PFEQBWYELGUBQI-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM CC(C)c1scnc1C(=O)NC[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575066412 951595119 /nfs/dbraw/zinc/59/51/19/951595119.db2.gz LGHAPXUGSAZWLL-JTQLQIEISA-N -1 1 387.473 1.715 20 0 GDADMM CC(C)c1scnc1C(=O)NC[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575066412 951595130 /nfs/dbraw/zinc/59/51/30/951595130.db2.gz LGHAPXUGSAZWLL-JTQLQIEISA-N -1 1 387.473 1.715 20 0 GDADMM C[C@H](CNC(=O)c1nccs1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575066540 951597052 /nfs/dbraw/zinc/59/70/52/951597052.db2.gz GHOLWRUIYBTTGT-ZCFIWIBFSA-N -1 1 384.878 1.688 20 0 GDADMM C[C@H](CNC(=O)c1ocnc1C(F)F)CNc1nccnc1-c1nnn[n-]1 ZINC001575067400 951611513 /nfs/dbraw/zinc/61/15/13/951611513.db2.gz RZGDGJCRODUSDS-ZETCQYMHSA-N -1 1 379.331 1.060 20 0 GDADMM C[C@H](CNC(=O)c1ocnc1C(F)F)CNc1nccnc1-c1nn[n-]n1 ZINC001575067400 951611519 /nfs/dbraw/zinc/61/15/19/951611519.db2.gz RZGDGJCRODUSDS-ZETCQYMHSA-N -1 1 379.331 1.060 20 0 GDADMM C[C@H](CNC(=O)c1ncccc1[O-])Nc1nc(Cl)c(-c2nn[nH]n2)s1 ZINC001575067432 951611764 /nfs/dbraw/zinc/61/17/64/951611764.db2.gz LXPBSFZMFVUGOH-ZCFIWIBFSA-N -1 1 380.821 1.308 20 0 GDADMM C[C@H](CNC(=O)c1nccc2ccccc21)CNc1nccnc1-c1nnn[n-]1 ZINC001575068249 951632372 /nfs/dbraw/zinc/63/23/72/951632372.db2.gz YQMXPWMPHOKHBH-LBPRGKRZSA-N -1 1 389.423 1.683 20 0 GDADMM C[C@H](CNC(=O)c1nccc2ccccc21)CNc1nccnc1-c1nn[n-]n1 ZINC001575068249 951632376 /nfs/dbraw/zinc/63/23/76/951632376.db2.gz YQMXPWMPHOKHBH-LBPRGKRZSA-N -1 1 389.423 1.683 20 0 GDADMM C[C@@H](CNC(=O)c1onc2c1CCCC2)CNc1nccnc1-c1nnn[n-]1 ZINC001575068605 951635916 /nfs/dbraw/zinc/63/59/16/951635916.db2.gz CAOQQLACGMGOBF-SNVBAGLBSA-N -1 1 383.416 1.002 20 0 GDADMM C[C@@H](CNC(=O)c1onc2c1CCCC2)CNc1nccnc1-c1nn[n-]n1 ZINC001575068605 951635920 /nfs/dbraw/zinc/63/59/20/951635920.db2.gz CAOQQLACGMGOBF-SNVBAGLBSA-N -1 1 383.416 1.002 20 0 GDADMM CC(C)c1ncsc1C(=O)NC[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575069239 951641597 /nfs/dbraw/zinc/64/15/97/951641597.db2.gz HJUZYEBIXSUAGR-SNVBAGLBSA-N -1 1 387.473 1.137 20 0 GDADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)C1CCC(F)CC1)C1CC1 ZINC001575128812 952073194 /nfs/dbraw/zinc/07/31/94/952073194.db2.gz MQQNAPCVNISCNG-LJMKFJKQSA-N -1 1 388.451 1.882 20 0 GDADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)C1CCC(F)CC1)C1CC1 ZINC001575128812 952073205 /nfs/dbraw/zinc/07/32/05/952073205.db2.gz MQQNAPCVNISCNG-LJMKFJKQSA-N -1 1 388.451 1.882 20 0 GDADMM O=C([O-])Cn1cc(C(=O)N2CCc3nc[nH]c3[C@@H]2c2ccc(Cl)cc2)nn1 ZINC001595142156 952088886 /nfs/dbraw/zinc/08/88/86/952088886.db2.gz IGDDLNMAFCQJSX-INIZCTEOSA-N -1 1 386.799 1.527 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)CC1(C(F)(F)F)CC1 ZINC001575132292 952093124 /nfs/dbraw/zinc/09/31/24/952093124.db2.gz FCQVNFYSVZIEFO-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)CC1(C(F)(F)F)CC1 ZINC001575132292 952093132 /nfs/dbraw/zinc/09/31/32/952093132.db2.gz FCQVNFYSVZIEFO-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ncc(Cl)s1 ZINC001575133252 952102729 /nfs/dbraw/zinc/10/27/29/952102729.db2.gz CYANQLZMPFDPLR-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ncc(Cl)s1 ZINC001575133252 952102734 /nfs/dbraw/zinc/10/27/34/952102734.db2.gz CYANQLZMPFDPLR-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)C1CC2(CCC2)C1)C1CC1 ZINC001575136909 952130483 /nfs/dbraw/zinc/13/04/83/952130483.db2.gz ROJWZQKJDQZYGM-GOSISDBHSA-N -1 1 382.472 1.356 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H](F)CC1CCCCC1 ZINC001575141430 952145095 /nfs/dbraw/zinc/14/50/95/952145095.db2.gz HGLHSGQSUYWUII-GXTWGEPZSA-N -1 1 390.467 1.646 20 0 GDADMM C[C@H]1CC[C@H](C(=O)N[C@@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C2CC2)CC1 ZINC001575142094 952145706 /nfs/dbraw/zinc/14/57/06/952145706.db2.gz ITTJIYLDWFGILJ-JMERFSKESA-N -1 1 384.488 1.602 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cccc2cc[nH]c21 ZINC001575144071 952161151 /nfs/dbraw/zinc/16/11/51/952161151.db2.gz FYPDDTPWJALGFP-LLVKDONJSA-N -1 1 377.412 1.133 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@]1(C)CCc2ccccc21 ZINC001575154389 952221090 /nfs/dbraw/zinc/22/10/90/952221090.db2.gz RJLVGSXLNPWDOS-RNODOKPDSA-N -1 1 392.467 1.820 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@]1(C)CCc2ccccc21 ZINC001575154389 952221095 /nfs/dbraw/zinc/22/10/95/952221095.db2.gz RJLVGSXLNPWDOS-RNODOKPDSA-N -1 1 392.467 1.820 20 0 GDADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)[C@H]1C[C@@H]1C(F)F)C1CC1 ZINC001575154692 952230473 /nfs/dbraw/zinc/23/04/73/952230473.db2.gz URGPYXODUUKZSX-XQJJYNOISA-N -1 1 378.387 1.255 20 0 GDADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)[C@H]1C[C@@H]1C(F)F)C1CC1 ZINC001575154692 952230479 /nfs/dbraw/zinc/23/04/79/952230479.db2.gz URGPYXODUUKZSX-XQJJYNOISA-N -1 1 378.387 1.255 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cc2c(o1)CCCC2 ZINC001575156725 952256262 /nfs/dbraw/zinc/25/62/62/952256262.db2.gz HUHIILVYHHSZFB-NSHDSACASA-N -1 1 382.428 1.701 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc2c(o1)CCCC2 ZINC001575156725 952256269 /nfs/dbraw/zinc/25/62/69/952256269.db2.gz HUHIILVYHHSZFB-NSHDSACASA-N -1 1 382.428 1.701 20 0 GDADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)Cc1ccccc1)C1CC1 ZINC001575157301 952262604 /nfs/dbraw/zinc/26/26/04/952262604.db2.gz ZBRNRCPEARLLBA-IBGZPJMESA-N -1 1 378.440 1.596 20 0 GDADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)Cc1ccccc1)C1CC1 ZINC001575157301 952262608 /nfs/dbraw/zinc/26/26/08/952262608.db2.gz ZBRNRCPEARLLBA-IBGZPJMESA-N -1 1 378.440 1.596 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)Cc1cccc(Cl)c1 ZINC001575157724 952267729 /nfs/dbraw/zinc/26/77/29/952267729.db2.gz PLHXGURTLMWYQC-NSHDSACASA-N -1 1 386.847 1.812 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)Cc1cccc(Cl)c1 ZINC001575157724 952267733 /nfs/dbraw/zinc/26/77/33/952267733.db2.gz PLHXGURTLMWYQC-NSHDSACASA-N -1 1 386.847 1.812 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)Cc1ccc2c(c1)CCC2 ZINC001575158920 952274611 /nfs/dbraw/zinc/27/46/11/952274611.db2.gz XJWINDNFKUIMRJ-ZDUSSCGKSA-N -1 1 392.467 1.647 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)Cc1ccc2c(c1)CCC2 ZINC001575158920 952274621 /nfs/dbraw/zinc/27/46/21/952274621.db2.gz XJWINDNFKUIMRJ-ZDUSSCGKSA-N -1 1 392.467 1.647 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cccc2c1OCC2 ZINC001575158882 952274928 /nfs/dbraw/zinc/27/49/28/952274928.db2.gz XEKBMPQBXYHGCO-LLVKDONJSA-N -1 1 380.412 1.164 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cccc2c1OCC2 ZINC001575158882 952274933 /nfs/dbraw/zinc/27/49/33/952274933.db2.gz XEKBMPQBXYHGCO-LLVKDONJSA-N -1 1 380.412 1.164 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)C1=CCOCC1 ZINC001575164829 952300839 /nfs/dbraw/zinc/30/08/39/952300839.db2.gz ICDLDIJCHQWFTR-MRVPVSSYSA-N -1 1 383.865 1.582 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)C1=CCOCC1 ZINC001575164829 952300844 /nfs/dbraw/zinc/30/08/44/952300844.db2.gz ICDLDIJCHQWFTR-MRVPVSSYSA-N -1 1 383.865 1.582 20 0 GDADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)c1cnns1 ZINC001575165302 952306104 /nfs/dbraw/zinc/30/61/04/952306104.db2.gz NETSWFHTIBWYIZ-RXMQYKEDSA-N -1 1 385.866 1.401 20 0 GDADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)Cc1cccnc1 ZINC001575166437 952325515 /nfs/dbraw/zinc/32/55/15/952325515.db2.gz WCXDWDZVOQODCO-SECBINFHSA-N -1 1 392.876 1.873 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)C1CC2(C1)CCOCC2 ZINC001575173954 952360407 /nfs/dbraw/zinc/36/04/07/952360407.db2.gz DGWJYFNNECSREL-GFCCVEGCSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)C1CC2(C1)CCOCC2 ZINC001575173954 952360415 /nfs/dbraw/zinc/36/04/15/952360415.db2.gz DGWJYFNNECSREL-GFCCVEGCSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)[C@@H]1CCCOCC1)C1CC1 ZINC001575175246 952382795 /nfs/dbraw/zinc/38/27/95/952382795.db2.gz WFNAKURYGKHCAN-XIKOKIGWSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)[C@@H]1CCCOCC1)C1CC1 ZINC001575175246 952382800 /nfs/dbraw/zinc/38/28/00/952382800.db2.gz WFNAKURYGKHCAN-XIKOKIGWSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)C(C)(C)C1CCOCC1 ZINC001575175725 952388242 /nfs/dbraw/zinc/38/82/42/952388242.db2.gz YCQZQHVOHORWJW-LBPRGKRZSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)C(C)(C)C1CCOCC1 ZINC001575175725 952388250 /nfs/dbraw/zinc/38/82/50/952388250.db2.gz YCQZQHVOHORWJW-LBPRGKRZSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C1CC1 ZINC001575176180 952390472 /nfs/dbraw/zinc/39/04/72/952390472.db2.gz ZBTFAWIRORITNH-SSCSGYHRSA-N -1 1 398.471 1.169 20 0 GDADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C1CC1 ZINC001575176180 952390478 /nfs/dbraw/zinc/39/04/78/952390478.db2.gz ZBTFAWIRORITNH-SSCSGYHRSA-N -1 1 398.471 1.169 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)c1cnccn1 ZINC001575177038 952398325 /nfs/dbraw/zinc/39/83/25/952398325.db2.gz GEUUJHJRSONROV-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)c1cnccn1 ZINC001575177038 952398332 /nfs/dbraw/zinc/39/83/32/952398332.db2.gz GEUUJHJRSONROV-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)c1cncnc1 ZINC001575177226 952400022 /nfs/dbraw/zinc/40/00/22/952400022.db2.gz HKPYTPRUUBIUIZ-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)c1cncnc1 ZINC001575177226 952400026 /nfs/dbraw/zinc/40/00/26/952400026.db2.gz HKPYTPRUUBIUIZ-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)Cc1ccc2c(c1)CCC2 ZINC001575177603 952402460 /nfs/dbraw/zinc/40/24/60/952402460.db2.gz IKNRYCUTNAVVSV-ZDUSSCGKSA-N -1 1 392.467 1.647 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)Cc1ccc2c(c1)CCC2 ZINC001575177603 952402464 /nfs/dbraw/zinc/40/24/64/952402464.db2.gz IKNRYCUTNAVVSV-ZDUSSCGKSA-N -1 1 392.467 1.647 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001575178078 952403192 /nfs/dbraw/zinc/40/31/92/952403192.db2.gz KDRFMOTYAAWTLM-FPMFFAJLSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001575178078 952403195 /nfs/dbraw/zinc/40/31/95/952403195.db2.gz KDRFMOTYAAWTLM-FPMFFAJLSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ccc2c(c1)CCC2 ZINC001575178166 952404411 /nfs/dbraw/zinc/40/44/11/952404411.db2.gz LBGFGXUVCXEFKJ-GFCCVEGCSA-N -1 1 378.440 1.718 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ccc2c(c1)CCC2 ZINC001575178166 952404417 /nfs/dbraw/zinc/40/44/17/952404417.db2.gz LBGFGXUVCXEFKJ-GFCCVEGCSA-N -1 1 378.440 1.718 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)Cc1cnoc1 ZINC001575180109 952415468 /nfs/dbraw/zinc/41/54/68/952415468.db2.gz RQIYJCQOQUZVOM-ZETCQYMHSA-N -1 1 382.837 1.466 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)Cc1cnoc1 ZINC001575180109 952415471 /nfs/dbraw/zinc/41/54/71/952415471.db2.gz RQIYJCQOQUZVOM-ZETCQYMHSA-N -1 1 382.837 1.466 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1onc2c1CCCC2 ZINC001575180500 952418321 /nfs/dbraw/zinc/41/83/21/952418321.db2.gz UYMNKUAPCBDEJH-SNVBAGLBSA-N -1 1 383.416 1.096 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1onc2c1CCCC2 ZINC001575180500 952418327 /nfs/dbraw/zinc/41/83/27/952418327.db2.gz UYMNKUAPCBDEJH-SNVBAGLBSA-N -1 1 383.416 1.096 20 0 GDADMM C[C@@H](Cc1cccc(F)c1)C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575191982 952470541 /nfs/dbraw/zinc/47/05/41/952470541.db2.gz ZYHWDGHAQQQREJ-LBPRGKRZSA-N -1 1 384.419 1.227 20 0 GDADMM C[C@@H](Cc1cccc(F)c1)C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575191982 952470546 /nfs/dbraw/zinc/47/05/46/952470546.db2.gz ZYHWDGHAQQQREJ-LBPRGKRZSA-N -1 1 384.419 1.227 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001575196561 952475691 /nfs/dbraw/zinc/47/56/91/952475691.db2.gz HFVVIWKVYMACEW-CHWSQXEVSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001575196561 952475693 /nfs/dbraw/zinc/47/56/93/952475693.db2.gz HFVVIWKVYMACEW-CHWSQXEVSA-N -1 1 382.428 1.531 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H]2CCC[C@H](C(C)(C)C)CC2)n(C)c1=O ZINC001571116675 952477368 /nfs/dbraw/zinc/47/73/68/952477368.db2.gz BYXFUIFIUPZZES-RYUDHWBXSA-N -1 1 375.477 1.671 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575197231 952480371 /nfs/dbraw/zinc/48/03/71/952480371.db2.gz QOXXSGWOYITBME-QWHCGFSZSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575197231 952480374 /nfs/dbraw/zinc/48/03/74/952480374.db2.gz QOXXSGWOYITBME-QWHCGFSZSA-N -1 1 382.428 1.214 20 0 GDADMM Cc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nnn[n-]3)nn2)c1 ZINC001571120647 952506044 /nfs/dbraw/zinc/50/60/44/952506044.db2.gz OSBBPLJGZRSTOT-KBMXLJTQSA-N -1 1 376.424 1.505 20 0 GDADMM Cc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nn2)c1 ZINC001571120647 952506054 /nfs/dbraw/zinc/50/60/54/952506054.db2.gz OSBBPLJGZRSTOT-KBMXLJTQSA-N -1 1 376.424 1.505 20 0 GDADMM Cc1[nH]nc(NC(=O)CCC(=O)Nc2c(F)cccc2F)c1-c1nn[n-]n1 ZINC001571120796 952509083 /nfs/dbraw/zinc/50/90/83/952509083.db2.gz QFBIBFFRNSFJKK-UHFFFAOYSA-N -1 1 376.327 1.534 20 0 GDADMM O=C(N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)C1(c2ccccc2)CC1 ZINC001571120862 952509824 /nfs/dbraw/zinc/50/98/24/952509824.db2.gz RUFKJOFEVWNKCJ-CQSZACIVSA-N -1 1 376.424 1.401 20 0 GDADMM O=C(N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)C1(c2ccccc2)CC1 ZINC001571120862 952509829 /nfs/dbraw/zinc/50/98/29/952509829.db2.gz RUFKJOFEVWNKCJ-CQSZACIVSA-N -1 1 376.424 1.401 20 0 GDADMM O=C(N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)C1(c2ccccc2)CC1 ZINC001571120861 952510730 /nfs/dbraw/zinc/51/07/30/952510730.db2.gz RUFKJOFEVWNKCJ-AWEZNQCLSA-N -1 1 376.424 1.401 20 0 GDADMM O=C(N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)C1(c2ccccc2)CC1 ZINC001571120861 952510738 /nfs/dbraw/zinc/51/07/38/952510738.db2.gz RUFKJOFEVWNKCJ-AWEZNQCLSA-N -1 1 376.424 1.401 20 0 GDADMM NC(=O)[C@@H]1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)C[C@H]1c1ccccc1 ZINC001571121008 952513429 /nfs/dbraw/zinc/51/34/29/952513429.db2.gz UTLFGGFAJVWZLP-VHSXEESVSA-N -1 1 375.845 1.682 20 0 GDADMM CC(=O)Nc1ccccc1C(F)(F)C(=O)Nc1n[nH]c(C)c1-c1nn[n-]n1 ZINC001571121217 952518154 /nfs/dbraw/zinc/51/81/54/952518154.db2.gz YKLOUOCCBJFJOB-UHFFFAOYSA-N -1 1 376.327 1.587 20 0 GDADMM O=C(C[C@@H]1CCCO1)N[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571123092 952527318 /nfs/dbraw/zinc/52/73/18/952527318.db2.gz OCUNLNGOEOSGPW-OLZOCXBDSA-N -1 1 376.486 1.578 20 0 GDADMM CC[C@H](F)C(=O)N1CCC(CN(CC)c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571123404 952531106 /nfs/dbraw/zinc/53/11/06/952531106.db2.gz RJUARZLUJYDJPJ-ZDUSSCGKSA-N -1 1 376.440 1.470 20 0 GDADMM CC[C@H](F)C(=O)N1CCC(CN(CC)c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571123404 952531110 /nfs/dbraw/zinc/53/11/10/952531110.db2.gz RJUARZLUJYDJPJ-ZDUSSCGKSA-N -1 1 376.440 1.470 20 0 GDADMM Cc1nsc(N[C@@H]2CN(C(=O)C[C@@H]3CCCO3)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571127604 952558544 /nfs/dbraw/zinc/55/85/44/952558544.db2.gz JODRCQSZHJNMHK-ADEWGFFLSA-N -1 1 377.474 1.460 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001575213682 952559686 /nfs/dbraw/zinc/55/96/86/952559686.db2.gz FJJJPOQMUDTGNV-JTQLQIEISA-N -1 1 380.403 1.599 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001575213682 952559691 /nfs/dbraw/zinc/55/96/91/952559691.db2.gz FJJJPOQMUDTGNV-JTQLQIEISA-N -1 1 380.403 1.599 20 0 GDADMM Cc1nsc(N2CCC[C@@H](NC(=O)C3CCOCC3)C2)c1-c1nn[n-]n1 ZINC001571128617 952568757 /nfs/dbraw/zinc/56/87/57/952568757.db2.gz VGFDXVOLOZOSLP-GFCCVEGCSA-N -1 1 377.474 1.143 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C2CCN(C(=O)[C@H]3CC3(F)F)CC2)n1 ZINC001571129852 952577637 /nfs/dbraw/zinc/57/76/37/952577637.db2.gz KQZLJJLLNVDVAA-LLVKDONJSA-N -1 1 378.387 1.048 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C2CCN(C(=O)[C@H]3CC3(F)F)CC2)n1 ZINC001571129852 952577639 /nfs/dbraw/zinc/57/76/39/952577639.db2.gz KQZLJJLLNVDVAA-LLVKDONJSA-N -1 1 378.387 1.048 20 0 GDADMM Cc1cccc(C(=O)N2C[C@@H](C)[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571134264 952588705 /nfs/dbraw/zinc/58/87/05/952588705.db2.gz GSBNRFJWJBAMMU-HIFRSBDPSA-N -1 1 378.440 1.785 20 0 GDADMM Cc1cccc(C(=O)N2C[C@@H](C)[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571134264 952588712 /nfs/dbraw/zinc/58/87/12/952588712.db2.gz GSBNRFJWJBAMMU-HIFRSBDPSA-N -1 1 378.440 1.785 20 0 GDADMM CCCc1ccccc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571134348 952589817 /nfs/dbraw/zinc/58/98/17/952589817.db2.gz DNUYVRISYWQDLR-UHFFFAOYSA-N -1 1 378.440 1.572 20 0 GDADMM CCCc1ccccc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571134348 952589823 /nfs/dbraw/zinc/58/98/23/952589823.db2.gz DNUYVRISYWQDLR-UHFFFAOYSA-N -1 1 378.440 1.572 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CC[C@H](C)N(c3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001571134469 952590846 /nfs/dbraw/zinc/59/08/46/952590846.db2.gz IKPBYUGSMYMNCE-ZFWWWQNUSA-N -1 1 378.440 1.752 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CC[C@H](C)N(c3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001571134469 952590850 /nfs/dbraw/zinc/59/08/50/952590850.db2.gz IKPBYUGSMYMNCE-ZFWWWQNUSA-N -1 1 378.440 1.752 20 0 GDADMM CCc1ccccc1C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001571134418 952590871 /nfs/dbraw/zinc/59/08/71/952590871.db2.gz FWLMDADAAFRJLI-SWLSCSKDSA-N -1 1 378.440 1.934 20 0 GDADMM CCc1ccccc1C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001571134418 952590874 /nfs/dbraw/zinc/59/08/74/952590874.db2.gz FWLMDADAAFRJLI-SWLSCSKDSA-N -1 1 378.440 1.934 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)c(C)c1 ZINC001571135172 952600428 /nfs/dbraw/zinc/60/04/28/952600428.db2.gz SJMNDYRPDZZRCD-CQSZACIVSA-N -1 1 378.440 1.848 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)c(C)c1 ZINC001571135172 952600431 /nfs/dbraw/zinc/60/04/31/952600431.db2.gz SJMNDYRPDZZRCD-CQSZACIVSA-N -1 1 378.440 1.848 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CN(C(=O)c3ccccc3C)C[C@H]2C)n1 ZINC001571135282 952601516 /nfs/dbraw/zinc/60/15/16/952601516.db2.gz SLLCRPVQSUNKNK-MLGOLLRUSA-N -1 1 378.440 1.846 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CN(C(=O)c3ccccc3C)C[C@H]2C)n1 ZINC001571135282 952601519 /nfs/dbraw/zinc/60/15/19/952601519.db2.gz SLLCRPVQSUNKNK-MLGOLLRUSA-N -1 1 378.440 1.846 20 0 GDADMM Cc1cccc(C)c1C(=O)N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571135395 952603734 /nfs/dbraw/zinc/60/37/34/952603734.db2.gz WTGKSPZCCWOBCH-AWEZNQCLSA-N -1 1 378.440 1.990 20 0 GDADMM Cc1cccc(C)c1C(=O)N1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571135395 952603735 /nfs/dbraw/zinc/60/37/35/952603735.db2.gz WTGKSPZCCWOBCH-AWEZNQCLSA-N -1 1 378.440 1.990 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CC[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571142308 952639944 /nfs/dbraw/zinc/63/99/44/952639944.db2.gz OTHIXEMEKAUEKY-MRVPVSSYSA-N -1 1 378.849 1.940 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CC[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571142308 952639947 /nfs/dbraw/zinc/63/99/47/952639947.db2.gz OTHIXEMEKAUEKY-MRVPVSSYSA-N -1 1 378.849 1.940 20 0 GDADMM O=C(CCc1cccnc1)N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571146848 952653740 /nfs/dbraw/zinc/65/37/40/952653740.db2.gz NVWDPTOLRQYKAG-AWEZNQCLSA-N -1 1 379.428 1.087 20 0 GDADMM O=C(CCc1cccnc1)N1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571146848 952653744 /nfs/dbraw/zinc/65/37/44/952653744.db2.gz NVWDPTOLRQYKAG-AWEZNQCLSA-N -1 1 379.428 1.087 20 0 GDADMM C[C@H](C(=O)N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1)c1cccnc1 ZINC001571146941 952654044 /nfs/dbraw/zinc/65/40/44/952654044.db2.gz DHLDNAXSQHFMQR-LBPRGKRZSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@H](C(=O)N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1)c1cccnc1 ZINC001571146941 952654049 /nfs/dbraw/zinc/65/40/49/952654049.db2.gz DHLDNAXSQHFMQR-LBPRGKRZSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@@H]1CN(C(=O)c2c[nH]cc2C2CC2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571147129 952658032 /nfs/dbraw/zinc/65/80/32/952658032.db2.gz GWGNMQJUCUKFIA-MEBBXXQBSA-N -1 1 379.428 1.435 20 0 GDADMM C[C@@H]1CN(C(=O)c2c[nH]cc2C2CC2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571147129 952658036 /nfs/dbraw/zinc/65/80/36/952658036.db2.gz GWGNMQJUCUKFIA-MEBBXXQBSA-N -1 1 379.428 1.435 20 0 GDADMM Cc1[nH]ccc1C(=O)N[C@]12CCC[C@@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571147356 952660543 /nfs/dbraw/zinc/66/05/43/952660543.db2.gz LALWVASUNGRMIA-KSSFIOAISA-N -1 1 379.428 1.225 20 0 GDADMM Cc1[nH]ccc1C(=O)N[C@]12CCC[C@@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001571147356 952660545 /nfs/dbraw/zinc/66/05/45/952660545.db2.gz LALWVASUNGRMIA-KSSFIOAISA-N -1 1 379.428 1.225 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCc1ccccn1 ZINC001571147568 952662457 /nfs/dbraw/zinc/66/24/57/952662457.db2.gz NZAQVRZTYDQCDP-TZMCWYRMSA-N -1 1 379.428 1.086 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1ccccn1 ZINC001571147568 952662459 /nfs/dbraw/zinc/66/24/59/952662459.db2.gz NZAQVRZTYDQCDP-TZMCWYRMSA-N -1 1 379.428 1.086 20 0 GDADMM Cc1c[nH]nc1C(=O)N[C@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571152052 952681547 /nfs/dbraw/zinc/68/15/47/952681547.db2.gz BTTQNDRWULZOQY-ZETCQYMHSA-N -1 1 379.837 1.017 20 0 GDADMM Cc1c[nH]nc1C(=O)N[C@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571152052 952681548 /nfs/dbraw/zinc/68/15/48/952681548.db2.gz BTTQNDRWULZOQY-ZETCQYMHSA-N -1 1 379.837 1.017 20 0 GDADMM C[C@H]1C[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CN1C(=O)c1cn[nH]c1 ZINC001571152641 952683271 /nfs/dbraw/zinc/68/32/71/952683271.db2.gz IWJDPTCPKAETRE-XPUUQOCRSA-N -1 1 379.837 1.415 20 0 GDADMM COC(=O)c1ccc2c(c1)OCCN(C(=O)c1ccc(-c3nnn[n-]3)nc1)C2 ZINC001571152600 952683467 /nfs/dbraw/zinc/68/34/67/952683467.db2.gz HBXKLFIJHAYLDK-UHFFFAOYSA-N -1 1 380.364 1.083 20 0 GDADMM COC(=O)c1ccc2c(c1)OCCN(C(=O)c1ccc(-c3nn[n-]n3)nc1)C2 ZINC001571152600 952683469 /nfs/dbraw/zinc/68/34/69/952683469.db2.gz HBXKLFIJHAYLDK-UHFFFAOYSA-N -1 1 380.364 1.083 20 0 GDADMM CN(C(=O)c1cn[nH]c1)C1CC(Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571153637 952687567 /nfs/dbraw/zinc/68/75/67/952687567.db2.gz SHNZWHOIUBNWSC-UHFFFAOYSA-N -1 1 379.837 1.415 20 0 GDADMM CN(C(=O)c1cn[nH]c1)C1CC(Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571153637 952687572 /nfs/dbraw/zinc/68/75/72/952687572.db2.gz SHNZWHOIUBNWSC-UHFFFAOYSA-N -1 1 379.837 1.415 20 0 GDADMM C[C@@H](C(=O)N1CCC(CNc2cnc(-c3nnn[n-]3)cn2)CC1)C(C)(F)F ZINC001571155121 952692788 /nfs/dbraw/zinc/69/27/88/952692788.db2.gz ILKGMQMALAXUMN-JTQLQIEISA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H](C(=O)N1CCC(CNc2cnc(-c3nn[n-]n3)cn2)CC1)C(C)(F)F ZINC001571155121 952692790 /nfs/dbraw/zinc/69/27/90/952692790.db2.gz ILKGMQMALAXUMN-JTQLQIEISA-N -1 1 380.403 1.599 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571155308 952695778 /nfs/dbraw/zinc/69/57/78/952695778.db2.gz NLXWGSSLVBTVQE-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571155308 952695780 /nfs/dbraw/zinc/69/57/80/952695780.db2.gz NLXWGSSLVBTVQE-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM CCCc1occc1C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001571155461 952696992 /nfs/dbraw/zinc/69/69/92/952696992.db2.gz SSWUJRAFPYBHJR-ATCWAGBWSA-N -1 1 380.412 1.067 20 0 GDADMM CCCc1occc1C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001571155461 952696995 /nfs/dbraw/zinc/69/69/95/952696995.db2.gz SSWUJRAFPYBHJR-ATCWAGBWSA-N -1 1 380.412 1.067 20 0 GDADMM CO[C@@H](C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccccc1 ZINC001571155689 952699091 /nfs/dbraw/zinc/69/90/91/952699091.db2.gz XTJWQGGIVJNNOO-CZUORRHYSA-N -1 1 380.412 1.057 20 0 GDADMM CO[C@@H](C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccccc1 ZINC001571155689 952699093 /nfs/dbraw/zinc/69/90/93/952699093.db2.gz XTJWQGGIVJNNOO-CZUORRHYSA-N -1 1 380.412 1.057 20 0 GDADMM Cc1cccc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)[C@H]2C)n1 ZINC001571157202 952707071 /nfs/dbraw/zinc/70/70/71/952707071.db2.gz NKKYPJFAARTXPP-STQMWFEESA-N -1 1 379.428 1.147 20 0 GDADMM Cc1cccc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)[C@H]2C)n1 ZINC001571157202 952707076 /nfs/dbraw/zinc/70/70/76/952707076.db2.gz NKKYPJFAARTXPP-STQMWFEESA-N -1 1 379.428 1.147 20 0 GDADMM COc1ccccc1C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)[C@H]1C ZINC001571157848 952708471 /nfs/dbraw/zinc/70/84/71/952708471.db2.gz ABLLEKPHZDQTJT-YPMHNXCESA-N -1 1 380.412 1.380 20 0 GDADMM COc1ccccc1C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)[C@H]1C ZINC001571157848 952708474 /nfs/dbraw/zinc/70/84/74/952708474.db2.gz ABLLEKPHZDQTJT-YPMHNXCESA-N -1 1 380.412 1.380 20 0 GDADMM COc1ccc(C(=O)NC2CC(CNc3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001571158235 952710379 /nfs/dbraw/zinc/71/03/79/952710379.db2.gz FJSWKZLIWRLRJV-UHFFFAOYSA-N -1 1 380.412 1.286 20 0 GDADMM COc1ccc(C(=O)NC2CC(CNc3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001571158235 952710383 /nfs/dbraw/zinc/71/03/83/952710383.db2.gz FJSWKZLIWRLRJV-UHFFFAOYSA-N -1 1 380.412 1.286 20 0 GDADMM O=C(Cc1ccoc1)N1CCC[C@H]2[C@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001571160240 952724065 /nfs/dbraw/zinc/72/40/65/952724065.db2.gz FPUYOTMYELYCIK-UONOGXRCSA-N -1 1 380.412 1.062 20 0 GDADMM O=C(N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cc2c(o1)CCCC2 ZINC001571160287 952725388 /nfs/dbraw/zinc/72/53/88/952725388.db2.gz GLFWYHNFDPLTPY-GFCCVEGCSA-N -1 1 380.412 1.137 20 0 GDADMM Cc1cccc(C(=O)N[C@H]2CC[C@H](C)N(c3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571160346 952726021 /nfs/dbraw/zinc/72/60/21/952726021.db2.gz ZEORTZJSKNGCNT-STQMWFEESA-N -1 1 379.428 1.147 20 0 GDADMM Cc1cccc(C(=O)N[C@H]2CC[C@H](C)N(c3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571160346 952726026 /nfs/dbraw/zinc/72/60/26/952726026.db2.gz ZEORTZJSKNGCNT-STQMWFEESA-N -1 1 379.428 1.147 20 0 GDADMM O=C([C@@H]1C[C@H]1c1ccco1)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571161043 952730132 /nfs/dbraw/zinc/73/01/32/952730132.db2.gz PGWUYKIVMGJWJP-YNEHKIRRSA-N -1 1 380.412 1.456 20 0 GDADMM O=C([C@@H]1C[C@H]1c1ccco1)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571161043 952730136 /nfs/dbraw/zinc/73/01/36/952730136.db2.gz PGWUYKIVMGJWJP-YNEHKIRRSA-N -1 1 380.412 1.456 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccoc1C1CC1 ZINC001571161206 952730814 /nfs/dbraw/zinc/73/08/14/952730814.db2.gz RDCFEXKBODMPSB-LBPRGKRZSA-N -1 1 380.412 1.526 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccoc1C1CC1 ZINC001571161206 952730820 /nfs/dbraw/zinc/73/08/20/952730820.db2.gz RDCFEXKBODMPSB-LBPRGKRZSA-N -1 1 380.412 1.526 20 0 GDADMM Cc1coc(C(=O)N2CCC[C@H]3[C@H]2CCN3c2nccnc2-c2nnn[n-]2)c1 ZINC001571161249 952732019 /nfs/dbraw/zinc/73/20/19/952732019.db2.gz SOKJKFXUASCOPV-QWHCGFSZSA-N -1 1 380.412 1.442 20 0 GDADMM Cc1coc(C(=O)N2CCC[C@H]3[C@H]2CCN3c2nccnc2-c2nn[n-]n2)c1 ZINC001571161249 952732022 /nfs/dbraw/zinc/73/20/22/952732022.db2.gz SOKJKFXUASCOPV-QWHCGFSZSA-N -1 1 380.412 1.442 20 0 GDADMM COC(=O)[C@H](C)[C@H](NC(=O)Nc1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001571170800 952788553 /nfs/dbraw/zinc/78/85/53/952788553.db2.gz LQCPWKUDBZVHMN-ABAIWWIYSA-N -1 1 381.396 1.934 20 0 GDADMM COC(=O)[C@H](C)[C@H](NC(=O)Nc1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001571170800 952788557 /nfs/dbraw/zinc/78/85/57/952788557.db2.gz LQCPWKUDBZVHMN-ABAIWWIYSA-N -1 1 381.396 1.934 20 0 GDADMM C[C@@H]1CN(C(=O)c2ocnc2C2CC2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571170676 952788838 /nfs/dbraw/zinc/78/88/38/952788838.db2.gz KOMGZSCKHDIDAL-BXKDBHETSA-N -1 1 381.400 1.095 20 0 GDADMM C[C@@H]1CN(C(=O)c2ocnc2C2CC2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571170676 952788841 /nfs/dbraw/zinc/78/88/41/952788841.db2.gz KOMGZSCKHDIDAL-BXKDBHETSA-N -1 1 381.400 1.095 20 0 GDADMM O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CC[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001571171538 952793652 /nfs/dbraw/zinc/79/36/52/952793652.db2.gz BROOHSQHHTYJHH-SEBNEYGDSA-N -1 1 380.456 1.273 20 0 GDADMM O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CC[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001571171538 952793656 /nfs/dbraw/zinc/79/36/56/952793656.db2.gz BROOHSQHHTYJHH-SEBNEYGDSA-N -1 1 380.456 1.273 20 0 GDADMM C[C@H]1C[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CN1C(=O)c1ccon1 ZINC001571172013 952799982 /nfs/dbraw/zinc/79/99/82/952799982.db2.gz KMCRTUPLTGFVFX-NKWVEPMBSA-N -1 1 380.821 1.680 20 0 GDADMM O=C(N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)C12CCC(CC1)CC2 ZINC001571172032 952800367 /nfs/dbraw/zinc/80/03/67/952800367.db2.gz KVVAVHNRBPPQRT-QALFGTCUSA-N -1 1 380.456 1.178 20 0 GDADMM O=C(N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)C12CCC(CC1)CC2 ZINC001571172032 952800371 /nfs/dbraw/zinc/80/03/71/952800371.db2.gz KVVAVHNRBPPQRT-QALFGTCUSA-N -1 1 380.456 1.178 20 0 GDADMM C[C@@H]1C[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CN1C(=O)c1cocn1 ZINC001571172197 952803011 /nfs/dbraw/zinc/80/30/11/952803011.db2.gz OXQVIYPMUHAEFQ-RQJHMYQMSA-N -1 1 380.821 1.680 20 0 GDADMM O=C(NC1CC2(C1)CC(Nc1cnc(-c3nnn[n-]3)cn1)C2)C1(C2CC2)CC1 ZINC001571172228 952804339 /nfs/dbraw/zinc/80/43/39/952804339.db2.gz QEJDCTNDGQHZJH-UHFFFAOYSA-N -1 1 380.456 1.686 20 0 GDADMM O=C(NC1CC2(C1)CC(Nc1cnc(-c3nn[n-]n3)cn1)C2)C1(C2CC2)CC1 ZINC001571172228 952804345 /nfs/dbraw/zinc/80/43/45/952804345.db2.gz QEJDCTNDGQHZJH-UHFFFAOYSA-N -1 1 380.456 1.686 20 0 GDADMM Cc1ocnc1C(=O)N1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001571172402 952806532 /nfs/dbraw/zinc/80/65/32/952806532.db2.gz VCMFEWMVAYPIHR-UHFFFAOYSA-N -1 1 380.821 1.235 20 0 GDADMM O=C([C@H]1C[C@H]2C[C@H]2C1)N1CC[C@@H]2[C@@H](CCN2c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571172372 952806889 /nfs/dbraw/zinc/80/68/89/952806889.db2.gz UEIBOCQWLBKCGY-ZHMBSYLPSA-N -1 1 380.456 1.130 20 0 GDADMM O=C([C@H]1C[C@H]2C[C@H]2C1)N1CC[C@@H]2[C@@H](CCN2c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571172372 952806894 /nfs/dbraw/zinc/80/68/94/952806894.db2.gz UEIBOCQWLBKCGY-ZHMBSYLPSA-N -1 1 380.456 1.130 20 0 GDADMM O=C(N[C@]12CCC[C@H]1CN(c1nccnc1-c1nnn[n-]1)C2)[C@H]1CC12CCC2 ZINC001571172515 952806972 /nfs/dbraw/zinc/80/69/72/952806972.db2.gz VVPARPSXCXJWTI-QUJCMNEKSA-N -1 1 380.456 1.322 20 0 GDADMM O=C(N[C@]12CCC[C@H]1CN(c1nccnc1-c1nn[n-]n1)C2)[C@H]1CC12CCC2 ZINC001571172515 952806980 /nfs/dbraw/zinc/80/69/80/952806980.db2.gz VVPARPSXCXJWTI-QUJCMNEKSA-N -1 1 380.456 1.322 20 0 GDADMM C[C@H](C(=O)N1CC[C@@](C)(CNc2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001571179525 952852800 /nfs/dbraw/zinc/85/28/00/952852800.db2.gz FOERZGJDFNYOFR-ACJLOTCBSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@H](C(=O)N1CC[C@@](C)(CNc2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001571179525 952852810 /nfs/dbraw/zinc/85/28/10/952852810.db2.gz FOERZGJDFNYOFR-ACJLOTCBSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccc[nH]2)[C@@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001571183999 952887133 /nfs/dbraw/zinc/88/71/33/952887133.db2.gz OJNZXMRMOWBWMI-GXTWGEPZSA-N -1 1 381.444 1.728 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccc[nH]2)[C@@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001571183999 952887139 /nfs/dbraw/zinc/88/71/39/952887139.db2.gz OJNZXMRMOWBWMI-GXTWGEPZSA-N -1 1 381.444 1.728 20 0 GDADMM CCc1nc(NC[C@H]2CCCN2C(=O)c2c[nH]cc2C)cc(-c2nnn[n-]2)n1 ZINC001571184029 952887452 /nfs/dbraw/zinc/88/74/52/952887452.db2.gz OSPBFXYHJWXIKI-GFCCVEGCSA-N -1 1 381.444 1.572 20 0 GDADMM CCc1nc(NC[C@H]2CCCN2C(=O)c2c[nH]cc2C)cc(-c2nn[n-]n2)n1 ZINC001571184029 952887456 /nfs/dbraw/zinc/88/74/56/952887456.db2.gz OSPBFXYHJWXIKI-GFCCVEGCSA-N -1 1 381.444 1.572 20 0 GDADMM C[C@H](CC(=O)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1)n1cccc1 ZINC001571184141 952888643 /nfs/dbraw/zinc/88/86/43/952888643.db2.gz RMCHPEFEWSNYMP-CQSZACIVSA-N -1 1 381.444 1.148 20 0 GDADMM C[C@H](CC(=O)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1)n1cccc1 ZINC001571184141 952888646 /nfs/dbraw/zinc/88/86/46/952888646.db2.gz RMCHPEFEWSNYMP-CQSZACIVSA-N -1 1 381.444 1.148 20 0 GDADMM CCc1[nH]ccc1C(=O)N1C[C@H](C)[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571184389 952892043 /nfs/dbraw/zinc/89/20/43/952892043.db2.gz YDMUCYAVINUCCH-RYUDHWBXSA-N -1 1 381.444 1.367 20 0 GDADMM CCc1[nH]ccc1C(=O)N1C[C@H](C)[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571184389 952892052 /nfs/dbraw/zinc/89/20/52/952892052.db2.gz YDMUCYAVINUCCH-RYUDHWBXSA-N -1 1 381.444 1.367 20 0 GDADMM Cc1c(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H](C)C2)ccn1C ZINC001571184834 952897619 /nfs/dbraw/zinc/89/76/19/952897619.db2.gz DZIXSCRFMVGMRS-SMDDNHRTSA-N -1 1 381.444 1.266 20 0 GDADMM Cc1c(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H](C)C2)ccn1C ZINC001571184834 952897627 /nfs/dbraw/zinc/89/76/27/952897627.db2.gz DZIXSCRFMVGMRS-SMDDNHRTSA-N -1 1 381.444 1.266 20 0 GDADMM Cc1[nH]ccc1C(=O)N[C@@H]1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571185188 952900931 /nfs/dbraw/zinc/90/09/31/952900931.db2.gz JJHLUFAPQNEDHQ-GXTWGEPZSA-N -1 1 381.444 1.694 20 0 GDADMM Cc1[nH]ccc1C(=O)N[C@@H]1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571185188 952900937 /nfs/dbraw/zinc/90/09/37/952900937.db2.gz JJHLUFAPQNEDHQ-GXTWGEPZSA-N -1 1 381.444 1.694 20 0 GDADMM Cc1c(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)ccn1C(C)C ZINC001571185545 952902230 /nfs/dbraw/zinc/90/22/30/952902230.db2.gz MZBGBYRJVQJPPA-JOCQHMNTSA-N -1 1 381.444 1.720 20 0 GDADMM Cc1c(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)ccn1C(C)C ZINC001571185545 952902232 /nfs/dbraw/zinc/90/22/32/952902232.db2.gz MZBGBYRJVQJPPA-JOCQHMNTSA-N -1 1 381.444 1.720 20 0 GDADMM Cc1cc(C(=O)N2C[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C[C@@H]2C)c(C)[nH]1 ZINC001571186268 952905014 /nfs/dbraw/zinc/90/50/14/952905014.db2.gz UTXJUYAMJKEYFJ-WCQYABFASA-N -1 1 381.444 1.625 20 0 GDADMM Cc1cc(C(=O)N2C[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C[C@@H]2C)c(C)[nH]1 ZINC001571186268 952905019 /nfs/dbraw/zinc/90/50/19/952905019.db2.gz UTXJUYAMJKEYFJ-WCQYABFASA-N -1 1 381.444 1.625 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](NC(=O)Cc3ccc[nH]3)CC[C@H]2C)n1 ZINC001571186249 952905934 /nfs/dbraw/zinc/90/59/34/952905934.db2.gz UHMAJNDOUKXQFV-TZMCWYRMSA-N -1 1 381.444 1.009 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](NC(=O)Cc3ccc[nH]3)CC[C@H]2C)n1 ZINC001571186249 952905938 /nfs/dbraw/zinc/90/59/38/952905938.db2.gz UHMAJNDOUKXQFV-TZMCWYRMSA-N -1 1 381.444 1.009 20 0 GDADMM C[C@@H](NC(=O)c1ccn(C)c1)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571186581 952907892 /nfs/dbraw/zinc/90/78/92/952907892.db2.gz XOAUQXZGUMEEKX-GFCCVEGCSA-N -1 1 381.444 1.030 20 0 GDADMM Cc1ccn(C)c1C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001571189063 952923625 /nfs/dbraw/zinc/92/36/25/952923625.db2.gz RHSMLOXJVSBMRD-QWHCGFSZSA-N -1 1 381.444 1.266 20 0 GDADMM Cc1ccn(C)c1C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001571189063 952923629 /nfs/dbraw/zinc/92/36/29/952923629.db2.gz RHSMLOXJVSBMRD-QWHCGFSZSA-N -1 1 381.444 1.266 20 0 GDADMM Cc1cc(C)c(C(=O)N2CCC(CNc3ccc(-c4nnn[n-]4)nn3)CC2)[nH]1 ZINC001571189615 952931855 /nfs/dbraw/zinc/93/18/55/952931855.db2.gz YQIHPIXOCJIEFT-UHFFFAOYSA-N -1 1 381.444 1.566 20 0 GDADMM Cc1cc(C)c(C(=O)N2CCC(CNc3ccc(-c4nn[n-]n4)nn3)CC2)[nH]1 ZINC001571189615 952931856 /nfs/dbraw/zinc/93/18/56/952931856.db2.gz YQIHPIXOCJIEFT-UHFFFAOYSA-N -1 1 381.444 1.566 20 0 GDADMM Cc1ccc(F)c(C(=O)N2C[C@@H](C)[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571195456 952975968 /nfs/dbraw/zinc/97/59/68/952975968.db2.gz AEXYELHIJMUPKA-ABAIWWIYSA-N -1 1 382.403 1.677 20 0 GDADMM Cc1ccc(F)c(C(=O)N2C[C@@H](C)[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571195456 952975972 /nfs/dbraw/zinc/97/59/72/952975972.db2.gz AEXYELHIJMUPKA-ABAIWWIYSA-N -1 1 382.403 1.677 20 0 GDADMM Cc1cc(F)cc(C(=O)N(C)C2CC(Nc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571195532 952976763 /nfs/dbraw/zinc/97/67/63/952976763.db2.gz AZFJKWQLUHKLLH-UHFFFAOYSA-N -1 1 382.403 1.819 20 0 GDADMM Cc1cc(F)cc(C(=O)N(C)C2CC(Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571195532 952976766 /nfs/dbraw/zinc/97/67/66/952976766.db2.gz AZFJKWQLUHKLLH-UHFFFAOYSA-N -1 1 382.403 1.819 20 0 GDADMM Cc1ccc(F)cc1C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571195505 952976835 /nfs/dbraw/zinc/97/68/35/952976835.db2.gz AROGFXHEPJZBLB-AULYBMBSSA-N -1 1 382.403 1.725 20 0 GDADMM Cc1ccc(F)cc1C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571195505 952976840 /nfs/dbraw/zinc/97/68/40/952976840.db2.gz AROGFXHEPJZBLB-AULYBMBSSA-N -1 1 382.403 1.725 20 0 GDADMM O=C(Cc1ccc(F)cc1)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571195749 952978937 /nfs/dbraw/zinc/97/89/37/952978937.db2.gz FPWFWYRNZXPZHS-UHFFFAOYSA-N -1 1 382.403 1.077 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)Cc1ccc(F)cc1 ZINC001571196417 952982093 /nfs/dbraw/zinc/98/20/93/952982093.db2.gz KJLRLGINTCBRIM-BXUZGUMPSA-N -1 1 382.403 1.440 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)Cc1ccc(F)cc1 ZINC001571196417 952982098 /nfs/dbraw/zinc/98/20/98/952982098.db2.gz KJLRLGINTCBRIM-BXUZGUMPSA-N -1 1 382.403 1.440 20 0 GDADMM O=C([C@H](F)c1ccccc1)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571197213 952987511 /nfs/dbraw/zinc/98/75/11/952987511.db2.gz ULMREASZGQUCNT-BLLLJJGKSA-N -1 1 382.403 1.628 20 0 GDADMM O=C([C@H](F)c1ccccc1)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571197213 952987513 /nfs/dbraw/zinc/98/75/13/952987513.db2.gz ULMREASZGQUCNT-BLLLJJGKSA-N -1 1 382.403 1.628 20 0 GDADMM Cc1cc(F)ccc1C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC001571197144 952987572 /nfs/dbraw/zinc/98/75/72/952987572.db2.gz SSSDZEAZNUZAAD-RISCZKNCSA-N -1 1 382.403 1.501 20 0 GDADMM Cc1cc(F)ccc1C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C ZINC001571197144 952987573 /nfs/dbraw/zinc/98/75/73/952987573.db2.gz SSSDZEAZNUZAAD-RISCZKNCSA-N -1 1 382.403 1.501 20 0 GDADMM Cc1cc(C(=O)N(C)[C@@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)c(C)o1 ZINC001571198702 952992139 /nfs/dbraw/zinc/99/21/39/952992139.db2.gz DMQZCYGMPOVEBW-CYBMUJFWSA-N -1 1 382.428 1.526 20 0 GDADMM Cc1cc(C(=O)N(C)[C@@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)c(C)o1 ZINC001571198702 952992147 /nfs/dbraw/zinc/99/21/47/952992147.db2.gz DMQZCYGMPOVEBW-CYBMUJFWSA-N -1 1 382.428 1.526 20 0 GDADMM CCc1occc1C(=O)NC1(C)CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571199585 953001721 /nfs/dbraw/zinc/00/17/21/953001721.db2.gz VYYYKILPRRZTCK-UHFFFAOYSA-N -1 1 382.428 1.601 20 0 GDADMM CCc1occc1C(=O)NC1(C)CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571199585 953001725 /nfs/dbraw/zinc/00/17/25/953001725.db2.gz VYYYKILPRRZTCK-UHFFFAOYSA-N -1 1 382.428 1.601 20 0 GDADMM CCc1occc1C(=O)N1CCC[C@@H]1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001571199705 953004141 /nfs/dbraw/zinc/00/41/41/953004141.db2.gz ZTFRSMAXFQSAIP-GFCCVEGCSA-N -1 1 382.428 1.837 20 0 GDADMM CCc1occc1C(=O)N1CCC[C@@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001571199705 953004145 /nfs/dbraw/zinc/00/41/45/953004145.db2.gz ZTFRSMAXFQSAIP-GFCCVEGCSA-N -1 1 382.428 1.837 20 0 GDADMM Cc1ccc([C@H](C)C(=O)N2CCC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)o1 ZINC001571200535 953009301 /nfs/dbraw/zinc/00/93/01/953009301.db2.gz DBKWDZSAHRUGQB-QWHCGFSZSA-N -1 1 382.428 1.765 20 0 GDADMM Cc1ccc([C@H](C)C(=O)N2CCC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)o1 ZINC001571200535 953009304 /nfs/dbraw/zinc/00/93/04/953009304.db2.gz DBKWDZSAHRUGQB-QWHCGFSZSA-N -1 1 382.428 1.765 20 0 GDADMM Cc1cc(C(=O)NC[C@@H]2CCCCCN2c2ccnc(-c3nn[n-]n3)n2)co1 ZINC001571200993 953013190 /nfs/dbraw/zinc/01/31/90/953013190.db2.gz HPSHUUJDBNZZCP-AWEZNQCLSA-N -1 1 382.428 1.737 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001571202393 953023694 /nfs/dbraw/zinc/02/36/94/953023694.db2.gz WADJJEFKJLNWRY-STQMWFEESA-N -1 1 382.428 1.704 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001571202393 953023698 /nfs/dbraw/zinc/02/36/98/953023698.db2.gz WADJJEFKJLNWRY-STQMWFEESA-N -1 1 382.428 1.704 20 0 GDADMM Cc1coc(C)c1C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H]1C ZINC001571202392 953024398 /nfs/dbraw/zinc/02/43/98/953024398.db2.gz UHELEKZVBCVOHB-YPMHNXCESA-N -1 1 382.428 1.654 20 0 GDADMM Cc1coc(C)c1C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H]1C ZINC001571202392 953024403 /nfs/dbraw/zinc/02/44/03/953024403.db2.gz UHELEKZVBCVOHB-YPMHNXCESA-N -1 1 382.428 1.654 20 0 GDADMM Cc1oc(C)c(C(=O)NC[C@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)c1C ZINC001571205338 953037195 /nfs/dbraw/zinc/03/71/95/953037195.db2.gz HEZIKCQNCGFAQC-CYBMUJFWSA-N -1 1 382.428 1.574 20 0 GDADMM Cc1oc(C)c(C(=O)NC[C@H]2CCCN2c2cncc(-c3nn[n-]n3)n2)c1C ZINC001571205338 953037199 /nfs/dbraw/zinc/03/71/99/953037199.db2.gz HEZIKCQNCGFAQC-CYBMUJFWSA-N -1 1 382.428 1.574 20 0 GDADMM Cc1occc1C(=O)N1C[C@@H](C)[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571207201 953060946 /nfs/dbraw/zinc/06/09/46/953060946.db2.gz WYQWQSVBKIUFNV-DGCLKSJQSA-N -1 1 382.428 1.768 20 0 GDADMM Cc1occc1C(=O)N1C[C@@H](C)[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571207201 953060954 /nfs/dbraw/zinc/06/09/54/953060954.db2.gz WYQWQSVBKIUFNV-DGCLKSJQSA-N -1 1 382.428 1.768 20 0 GDADMM CCN(CC1CCN(C(=O)[C@H]2CC23CC3)CC1)c1nccnc1-c1nnn[n-]1 ZINC001571211597 953078927 /nfs/dbraw/zinc/07/89/27/953078927.db2.gz CPSFFHWCCHRXIB-CQSZACIVSA-N -1 1 382.472 1.522 20 0 GDADMM CCN(CC1CCN(C(=O)[C@H]2CC23CC3)CC1)c1nccnc1-c1nn[n-]n1 ZINC001571211597 953078932 /nfs/dbraw/zinc/07/89/32/953078932.db2.gz CPSFFHWCCHRXIB-CQSZACIVSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H]1C[C@H]1C(=O)N1CCC([C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001571212214 953085841 /nfs/dbraw/zinc/08/58/41/953085841.db2.gz JDEZHVJDNKHGDW-VHDGCEQUSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H]1C[C@H]1C(=O)N1CCC([C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571212214 953085846 /nfs/dbraw/zinc/08/58/46/953085846.db2.gz JDEZHVJDNKHGDW-VHDGCEQUSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@]12CN(C(=O)C3CCCC3)C[C@]1(C)CN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001571212247 953085935 /nfs/dbraw/zinc/08/59/35/953085935.db2.gz JZIAOUPDFBQEKG-KDURUIRLSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@]12CN(C(=O)C3CCCC3)C[C@]1(C)CN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001571212247 953085938 /nfs/dbraw/zinc/08/59/38/953085938.db2.gz JZIAOUPDFBQEKG-KDURUIRLSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C(=O)N2CCC3(CC2)CCN(c2cncc(-c4nnn[n-]4)n2)CC3)CC1 ZINC001571212594 953088782 /nfs/dbraw/zinc/08/87/82/953088782.db2.gz NKBKKCMDLZVKTJ-UHFFFAOYSA-N -1 1 382.472 1.666 20 0 GDADMM CC1(C(=O)N2CCC3(CC2)CCN(c2cncc(-c4nn[n-]n4)n2)CC3)CC1 ZINC001571212594 953088785 /nfs/dbraw/zinc/08/87/85/953088785.db2.gz NKBKKCMDLZVKTJ-UHFFFAOYSA-N -1 1 382.472 1.666 20 0 GDADMM CC1(C)CC(C(=O)N2CC[C@@H]3[C@H](CCN3c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571212564 953089058 /nfs/dbraw/zinc/08/90/58/953089058.db2.gz NEUHOPBJLHJSHB-TZMCWYRMSA-N -1 1 382.472 1.520 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CN(C(=O)[C@H]3CC34CCC4)C[C@H]2C)n1 ZINC001571212971 953091313 /nfs/dbraw/zinc/09/13/13/953091313.db2.gz OPEJXRUMZJEOEG-MRVWCRGKSA-N -1 1 382.472 1.662 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CN(C(=O)[C@H]3CC34CCC4)C[C@H]2C)n1 ZINC001571212971 953091317 /nfs/dbraw/zinc/09/13/17/953091317.db2.gz OPEJXRUMZJEOEG-MRVWCRGKSA-N -1 1 382.472 1.662 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001571213256 953094419 /nfs/dbraw/zinc/09/44/19/953094419.db2.gz QKPNMUPXBJYJEI-YUELXQCFSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001571213256 953094425 /nfs/dbraw/zinc/09/44/25/953094425.db2.gz QKPNMUPXBJYJEI-YUELXQCFSA-N -1 1 382.472 1.663 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2CCC[C@H]2C)n1 ZINC001571213570 953096143 /nfs/dbraw/zinc/09/61/43/953096143.db2.gz RWZFFKAWNOFFPR-FWGRZNJNSA-N -1 1 382.472 1.342 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2CCC[C@H]2C)n1 ZINC001571213570 953096147 /nfs/dbraw/zinc/09/61/47/953096147.db2.gz RWZFFKAWNOFFPR-FWGRZNJNSA-N -1 1 382.472 1.342 20 0 GDADMM C[C@@H]1CN(C(=O)[C@@H]2CC3CCC2CC3)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571213660 953096645 /nfs/dbraw/zinc/09/66/45/953096645.db2.gz SRZCFIPJZSORAS-ARYSBUBPSA-N -1 1 382.472 1.742 20 0 GDADMM C[C@@H]1CN(C(=O)[C@@H]2CC3CCC2CC3)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571213660 953096647 /nfs/dbraw/zinc/09/66/47/953096647.db2.gz SRZCFIPJZSORAS-ARYSBUBPSA-N -1 1 382.472 1.742 20 0 GDADMM CC1(C)C[C@@H](NC(=O)C2=CCCC2)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571213705 953097800 /nfs/dbraw/zinc/09/78/00/953097800.db2.gz UYUQGNFULWWLNW-AWEZNQCLSA-N -1 1 382.472 1.878 20 0 GDADMM CC1(C)C[C@@H](NC(=O)C2=CCCC2)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571213705 953097802 /nfs/dbraw/zinc/09/78/02/953097802.db2.gz UYUQGNFULWWLNW-AWEZNQCLSA-N -1 1 382.472 1.878 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@]3(CCN(C(=O)C4CCC4)C3)C2)n1 ZINC001571214076 953099129 /nfs/dbraw/zinc/09/91/29/953099129.db2.gz WGQLQYGWYPGJLA-IBGZPJMESA-N -1 1 382.472 1.448 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@]3(CCN(C(=O)C4CCC4)C3)C2)n1 ZINC001571214076 953099134 /nfs/dbraw/zinc/09/91/34/953099134.db2.gz WGQLQYGWYPGJLA-IBGZPJMESA-N -1 1 382.472 1.448 20 0 GDADMM C[C@H]1C[C@@H]1C(=O)N1CCC(N(CC2CC2)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571214317 953101648 /nfs/dbraw/zinc/10/16/48/953101648.db2.gz XCLIQBUPHQHMQQ-WFASDCNBSA-N -1 1 382.472 1.520 20 0 GDADMM CCC1(C(=O)N2C[C@@H]3CCC[C@@H](Nc4cncc(-c5nnn[n-]5)n4)[C@H]3C2)CC1 ZINC001571214486 953102285 /nfs/dbraw/zinc/10/22/85/953102285.db2.gz ZWXBUTFNOGWEGE-MELADBBJSA-N -1 1 382.472 1.886 20 0 GDADMM CCC1(C(=O)N2C[C@@H]3CCC[C@@H](Nc4cncc(-c5nn[n-]n5)n4)[C@H]3C2)CC1 ZINC001571214486 953102288 /nfs/dbraw/zinc/10/22/88/953102288.db2.gz ZWXBUTFNOGWEGE-MELADBBJSA-N -1 1 382.472 1.886 20 0 GDADMM O=C(N1CC[C@@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1)C12CCC(CC1)C2 ZINC001571217646 953109844 /nfs/dbraw/zinc/10/98/44/953109844.db2.gz GRXHBORCUIEZBY-SHYRYGCCSA-N -1 1 382.472 1.309 20 0 GDADMM O=C(CCC1CCCC1)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571218814 953120030 /nfs/dbraw/zinc/12/00/30/953120030.db2.gz RPOGIWZCLRXZBM-GASCZTMLSA-N -1 1 382.472 1.522 20 0 GDADMM O=C(NC[C@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)[C@H]1CC12CCCC2 ZINC001571219063 953122744 /nfs/dbraw/zinc/12/27/44/953122744.db2.gz UHJQKDWVZTZHMP-BFHYXJOUSA-N -1 1 382.472 1.934 20 0 GDADMM O=C(NC[C@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)[C@H]1CC12CCCC2 ZINC001571219063 953122748 /nfs/dbraw/zinc/12/27/48/953122748.db2.gz UHJQKDWVZTZHMP-BFHYXJOUSA-N -1 1 382.472 1.934 20 0 GDADMM O=C(CC1CC1)N1CCCC[C@H]1[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571219077 953122797 /nfs/dbraw/zinc/12/27/97/953122797.db2.gz UQESIPAWZUPLAL-ZBFHGGJFSA-N -1 1 382.472 1.664 20 0 GDADMM O=C(CC1CC1)N1CCCC[C@H]1[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571219077 953122799 /nfs/dbraw/zinc/12/27/99/953122799.db2.gz UQESIPAWZUPLAL-ZBFHGGJFSA-N -1 1 382.472 1.664 20 0 GDADMM O=C(C1CCCCC1)N1C[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001571219364 953124883 /nfs/dbraw/zinc/12/48/83/953124883.db2.gz XWEDBVGSJKBIJV-CABCVRRESA-N -1 1 382.472 1.522 20 0 GDADMM O=C(C1CCCCC1)N1C[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001571219364 953124884 /nfs/dbraw/zinc/12/48/84/953124884.db2.gz XWEDBVGSJKBIJV-CABCVRRESA-N -1 1 382.472 1.522 20 0 GDADMM O=C(NC[C@H]1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cncc(F)c1 ZINC001571219698 953126920 /nfs/dbraw/zinc/12/69/20/953126920.db2.gz QFUFOZCTPWXIBS-GXFFZTMASA-N -1 1 383.391 1.201 20 0 GDADMM O=C(NC[C@H]1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cncc(F)c1 ZINC001571219698 953126923 /nfs/dbraw/zinc/12/69/23/953126923.db2.gz QFUFOZCTPWXIBS-GXFFZTMASA-N -1 1 383.391 1.201 20 0 GDADMM O=C(N[C@H]1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1)c1cncc(F)c1 ZINC001571219761 953127604 /nfs/dbraw/zinc/12/76/04/953127604.db2.gz SDEOIKBFEKTRER-GWCFXTLKSA-N -1 1 383.391 1.201 20 0 GDADMM O=C(N[C@H]1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1)c1cncc(F)c1 ZINC001571219761 953127606 /nfs/dbraw/zinc/12/76/06/953127606.db2.gz SDEOIKBFEKTRER-GWCFXTLKSA-N -1 1 383.391 1.201 20 0 GDADMM CCCc1cc(C(=O)N2CCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)no1 ZINC001571222208 953132548 /nfs/dbraw/zinc/13/25/48/953132548.db2.gz FNCJPDOJHWJCKJ-LLVKDONJSA-N -1 1 383.416 1.314 20 0 GDADMM CCCc1cc(C(=O)N2CCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)no1 ZINC001571222208 953132554 /nfs/dbraw/zinc/13/25/54/953132554.db2.gz FNCJPDOJHWJCKJ-LLVKDONJSA-N -1 1 383.416 1.314 20 0 GDADMM CCc1nc(C)c(C(=O)N2CC[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)o1 ZINC001571223580 953145553 /nfs/dbraw/zinc/14/55/53/953145553.db2.gz WIJQCHZNUIOGPG-LLVKDONJSA-N -1 1 383.416 1.090 20 0 GDADMM CCc1nc(C)c(C(=O)N2CC[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)o1 ZINC001571223580 953145556 /nfs/dbraw/zinc/14/55/56/953145556.db2.gz WIJQCHZNUIOGPG-LLVKDONJSA-N -1 1 383.416 1.090 20 0 GDADMM Cc1nc(C(=O)N2CC[C@@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)[C@@H](C)C2)co1 ZINC001571224973 953152105 /nfs/dbraw/zinc/15/21/05/953152105.db2.gz HTUXOQPKEGCFJY-JOYOIKCWSA-N -1 1 383.416 1.224 20 0 GDADMM Cc1nc(C(=O)N2CC[C@@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)[C@@H](C)C2)co1 ZINC001571224973 953152108 /nfs/dbraw/zinc/15/21/08/953152108.db2.gz HTUXOQPKEGCFJY-JOYOIKCWSA-N -1 1 383.416 1.224 20 0 GDADMM Cc1ocnc1C(=O)N1CC[C@@H]([C@@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571225245 953152776 /nfs/dbraw/zinc/15/27/76/953152776.db2.gz IUUOHSURCPUDNO-ZYHUDNBSSA-N -1 1 383.416 1.224 20 0 GDADMM Cc1ocnc1C(=O)N1CC[C@@H]([C@@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571225245 953152777 /nfs/dbraw/zinc/15/27/77/953152777.db2.gz IUUOHSURCPUDNO-ZYHUDNBSSA-N -1 1 383.416 1.224 20 0 GDADMM Cc1nc(C(=O)N2CCC[C@H](C)[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)co1 ZINC001571225925 953154334 /nfs/dbraw/zinc/15/43/34/953154334.db2.gz OLOLIHIVKXVSLG-HZMBPMFUSA-N -1 1 383.416 1.306 20 0 GDADMM Cc1nc(C(=O)N2CCC[C@H](C)[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)co1 ZINC001571225925 953154336 /nfs/dbraw/zinc/15/43/36/953154336.db2.gz OLOLIHIVKXVSLG-HZMBPMFUSA-N -1 1 383.416 1.306 20 0 GDADMM Cc1nc(C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)[C@@H]2C)c(C)o1 ZINC001571226642 953156607 /nfs/dbraw/zinc/15/66/07/953156607.db2.gz UJUMXIMOTXWZKB-SKDRFNHKSA-N -1 1 383.416 1.049 20 0 GDADMM Cc1nc(C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)[C@@H]2C)c(C)o1 ZINC001571226642 953156610 /nfs/dbraw/zinc/15/66/10/953156610.db2.gz UJUMXIMOTXWZKB-SKDRFNHKSA-N -1 1 383.416 1.049 20 0 GDADMM Cc1ncc(CC(=O)NC2CCC(Nc3cncc(-c4nnn[n-]4)n3)CC2)o1 ZINC001571226651 953156702 /nfs/dbraw/zinc/15/67/02/953156702.db2.gz UQJOYEARNVYEJC-UHFFFAOYSA-N -1 1 383.416 1.035 20 0 GDADMM Cc1ncc(CC(=O)NC2CCC(Nc3cncc(-c4nn[n-]n4)n3)CC2)o1 ZINC001571226651 953156704 /nfs/dbraw/zinc/15/67/04/953156704.db2.gz UQJOYEARNVYEJC-UHFFFAOYSA-N -1 1 383.416 1.035 20 0 GDADMM Cc1cc(F)cc(-c2nn[n-]n2)c1S(=O)(=O)NC[C@@H](O)C1CCCCC1 ZINC001571230621 953178861 /nfs/dbraw/zinc/17/88/61/953178861.db2.gz HGMZJISDIBFDHK-CQSZACIVSA-N -1 1 383.449 1.534 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1scnc1C1CC1 ZINC001571231115 953183341 /nfs/dbraw/zinc/18/33/41/953183341.db2.gz STDNUROGUBDESQ-MGCOHNPYSA-N -1 1 383.441 1.364 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1scnc1C1CC1 ZINC001571231115 953183342 /nfs/dbraw/zinc/18/33/42/953183342.db2.gz STDNUROGUBDESQ-MGCOHNPYSA-N -1 1 383.441 1.364 20 0 GDADMM O=C(c1n[nH]cc1F)N1CC[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571234735 953205373 /nfs/dbraw/zinc/20/53/73/953205373.db2.gz HHFVVOJDRRBZNP-RXMQYKEDSA-N -1 1 383.800 1.165 20 0 GDADMM O=C(c1n[nH]cc1F)N1CC[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571234735 953205377 /nfs/dbraw/zinc/20/53/77/953205377.db2.gz HHFVVOJDRRBZNP-RXMQYKEDSA-N -1 1 383.800 1.165 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCCN(C(=O)[C@@H](C)C(F)(F)F)C2)n1 ZINC001571235031 953208092 /nfs/dbraw/zinc/20/80/92/953208092.db2.gz QJJKWQWULDXYEZ-ZJUUUORDSA-N -1 1 384.366 1.566 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCCN(C(=O)[C@@H](C)C(F)(F)F)C2)n1 ZINC001571235031 953208095 /nfs/dbraw/zinc/20/80/95/953208095.db2.gz QJJKWQWULDXYEZ-ZJUUUORDSA-N -1 1 384.366 1.566 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001571235148 953209808 /nfs/dbraw/zinc/20/98/08/953209808.db2.gz VBEIAJFWHPIITO-NXEZZACHSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001571235148 953209810 /nfs/dbraw/zinc/20/98/10/953209810.db2.gz VBEIAJFWHPIITO-NXEZZACHSA-N -1 1 384.366 1.506 20 0 GDADMM Cc1nsc(N2CC[C@@](C)(NC(=O)c3cnccc3C)C2)c1-c1nn[n-]n1 ZINC001571244789 953267432 /nfs/dbraw/zinc/26/74/32/953267432.db2.gz ITFGPZIDEFRGIO-QGZVFWFLSA-N -1 1 384.469 1.734 20 0 GDADMM Cc1cscc1C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)[C@H]1C ZINC001571244805 953267532 /nfs/dbraw/zinc/26/75/32/953267532.db2.gz JJHWDWQKNJMAKN-WCQYABFASA-N -1 1 384.469 1.814 20 0 GDADMM Cc1cscc1C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)[C@H]1C ZINC001571244805 953267534 /nfs/dbraw/zinc/26/75/34/953267534.db2.gz JJHWDWQKNJMAKN-WCQYABFASA-N -1 1 384.469 1.814 20 0 GDADMM C[C@H](C(=O)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)c1cccs1 ZINC001571246369 953282823 /nfs/dbraw/zinc/28/28/23/953282823.db2.gz ZIUWATDPDIXFQL-LBPRGKRZSA-N -1 1 384.469 1.561 20 0 GDADMM C[C@H](C(=O)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)c1cccs1 ZINC001571246369 953282829 /nfs/dbraw/zinc/28/28/29/953282829.db2.gz ZIUWATDPDIXFQL-LBPRGKRZSA-N -1 1 384.469 1.561 20 0 GDADMM C[C@H]1CC[C@H](NC(=O)C2C(C)(C)C2(C)C)CN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571249230 953302581 /nfs/dbraw/zinc/30/25/81/953302581.db2.gz GKBJKRMZJBMSIR-RYUDHWBXSA-N -1 1 384.488 1.812 20 0 GDADMM C[C@H]1CC[C@H](NC(=O)C2C(C)(C)C2(C)C)CN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571249230 953302586 /nfs/dbraw/zinc/30/25/86/953302586.db2.gz GKBJKRMZJBMSIR-RYUDHWBXSA-N -1 1 384.488 1.812 20 0 GDADMM CCC1(C(=O)N2CCC(CN(C)c3cncc(-c4nnn[n-]4)n3)CC2)CCC1 ZINC001571251163 953315075 /nfs/dbraw/zinc/31/50/75/953315075.db2.gz WPHWDSQHLOSEEI-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CCC1(C(=O)N2CCC(CN(C)c3cncc(-c4nn[n-]n4)n3)CC2)CCC1 ZINC001571251163 953315077 /nfs/dbraw/zinc/31/50/77/953315077.db2.gz WPHWDSQHLOSEEI-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@@H]1CN(C(=O)C2C(C)(C)C2(C)C)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571251461 953317960 /nfs/dbraw/zinc/31/79/60/953317960.db2.gz YGLNOZMPVYZIGX-NEPJUHHUSA-N -1 1 384.488 1.845 20 0 GDADMM C[C@@H]1CN(C(=O)C2C(C)(C)C2(C)C)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571251461 953317965 /nfs/dbraw/zinc/31/79/65/953317965.db2.gz YGLNOZMPVYZIGX-NEPJUHHUSA-N -1 1 384.488 1.845 20 0 GDADMM C[C@@H]1C[C@@H](NC(=O)C2C(C)(C)C2(C)C)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571251610 953318338 /nfs/dbraw/zinc/31/83/38/953318338.db2.gz ZYDMGHHSCZBDTP-NEPJUHHUSA-N -1 1 384.488 1.812 20 0 GDADMM C[C@@H]1C[C@@H](NC(=O)C2C(C)(C)C2(C)C)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571251610 953318343 /nfs/dbraw/zinc/31/83/43/953318343.db2.gz ZYDMGHHSCZBDTP-NEPJUHHUSA-N -1 1 384.488 1.812 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CN(C)c2nccnc2-c2nnn[n-]2)C1)C1CCCC1 ZINC001571251523 953318907 /nfs/dbraw/zinc/31/89/07/953318907.db2.gz ZJRDRZDAFQKYMK-UONOGXRCSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CN(C)c2nccnc2-c2nn[n-]n2)C1)C1CCCC1 ZINC001571251523 953318912 /nfs/dbraw/zinc/31/89/12/953318912.db2.gz ZJRDRZDAFQKYMK-UONOGXRCSA-N -1 1 384.488 1.768 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N(C)C[C@@H]2CCN(C(=O)C3CC(C)C3)C2)n1 ZINC001571252632 953331100 /nfs/dbraw/zinc/33/11/00/953331100.db2.gz SAEAJHVSNGUTIB-MOKVOYLWSA-N -1 1 384.488 1.550 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N(C)C[C@@H]2CCN(C(=O)C3CC(C)C3)C2)n1 ZINC001571252632 953331102 /nfs/dbraw/zinc/33/11/02/953331102.db2.gz SAEAJHVSNGUTIB-MOKVOYLWSA-N -1 1 384.488 1.550 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCCN(C(=O)[C@@H](C)C3CCC3)CC2)n1 ZINC001571252907 953333753 /nfs/dbraw/zinc/33/37/53/953333753.db2.gz YRKLLVXMUGTJNA-ZDUSSCGKSA-N -1 1 384.488 1.694 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCCN(C(=O)[C@@H](C)C3CCC3)CC2)n1 ZINC001571252907 953333756 /nfs/dbraw/zinc/33/37/56/953333756.db2.gz YRKLLVXMUGTJNA-ZDUSSCGKSA-N -1 1 384.488 1.694 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H]3[C@@H]2CCCN3C(=O)C(C)(C)C)n1 ZINC001571252944 953335246 /nfs/dbraw/zinc/33/52/46/953335246.db2.gz ZKZASEGIPJDGNU-UONOGXRCSA-N -1 1 384.488 1.835 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H]3[C@@H]2CCCN3C(=O)C(C)(C)C)n1 ZINC001571252944 953335249 /nfs/dbraw/zinc/33/52/49/953335249.db2.gz ZKZASEGIPJDGNU-UONOGXRCSA-N -1 1 384.488 1.835 20 0 GDADMM Cc1cccc(C(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)c1Cl ZINC001571254657 953340594 /nfs/dbraw/zinc/34/05/94/953340594.db2.gz FUAZYMGYQKQFHV-PHIMTYICSA-N -1 1 384.831 1.991 20 0 GDADMM Cc1cccc(C(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)c1Cl ZINC001571254657 953340598 /nfs/dbraw/zinc/34/05/98/953340598.db2.gz FUAZYMGYQKQFHV-PHIMTYICSA-N -1 1 384.831 1.991 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cccc(Cl)c1 ZINC001571255075 953344956 /nfs/dbraw/zinc/34/49/56/953344956.db2.gz HMKFSDZXUIVWJS-CYBMUJFWSA-N -1 1 384.831 1.709 20 0 GDADMM C[C@@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)c1ccc(Cl)cc1 ZINC001571255509 953349467 /nfs/dbraw/zinc/34/94/67/953349467.db2.gz MFLBWWKKUDBLJP-ZWNOBZJWSA-N -1 1 384.831 1.447 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)c3cccc(Cl)c3)C2)n1 ZINC001571256246 953368316 /nfs/dbraw/zinc/36/83/16/953368316.db2.gz TWHYREMNNDBGKO-ZDUSSCGKSA-N -1 1 384.831 1.627 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)c3cccc(Cl)c3)C2)n1 ZINC001571256246 953368322 /nfs/dbraw/zinc/36/83/22/953368322.db2.gz TWHYREMNNDBGKO-ZDUSSCGKSA-N -1 1 384.831 1.627 20 0 GDADMM CN(CCCC(=O)[O-])CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000430657005 953500309 /nfs/dbraw/zinc/50/03/09/953500309.db2.gz XUCZNKKESUFRBX-UHFFFAOYSA-N -1 1 397.497 1.596 20 0 GDADMM O=C([O-])[C@@H]1CN(C(=O)CCNC(=O)c2n[nH]c3ccccc32)Cc2ccccc21 ZINC001594761816 953501609 /nfs/dbraw/zinc/50/16/09/953501609.db2.gz JZTJPJJVVZFWOR-MRXNPFEDSA-N -1 1 392.415 1.893 20 0 GDADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC000449136334 953510032 /nfs/dbraw/zinc/51/00/32/953510032.db2.gz UZLKKTFHDJEGGN-CYBMUJFWSA-N -1 1 387.440 1.886 20 0 GDADMM CCc1ncc(CNC[C@@](C)(C(=O)[O-])c2ccccc2)n1S(=O)(=O)N(C)C ZINC001593652118 953714214 /nfs/dbraw/zinc/71/42/14/953714214.db2.gz GUPABXDIIHXZGP-GOSISDBHSA-N -1 1 394.497 1.232 20 0 GDADMM O=C(Nc1cccc(S(=O)(=O)Nc2ncccn2)c1)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001594810978 953821017 /nfs/dbraw/zinc/82/10/17/953821017.db2.gz FHPJMZRCTUYZDO-UMSPYCQHSA-N -1 1 391.409 1.262 20 0 GDADMM C[C@H]1CCCN(C(=O)[C@H](Cc2cnc[nH]2)NC(=O)C2CCCCC2)[C@H]1C(=O)[O-] ZINC001589325039 953894288 /nfs/dbraw/zinc/89/42/88/953894288.db2.gz FWPWIOVDKLRKEO-RRQGHBQHSA-N -1 1 390.484 1.729 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(CNCc3c(C(=O)[O-])cnn3C)cc2)C[C@H](C)O1 ZINC001589391253 954322271 /nfs/dbraw/zinc/32/22/71/954322271.db2.gz DPAYIDJPIDYMTD-OKILXGFUSA-N -1 1 386.452 1.658 20 0 GDADMM O=C([O-])CN1CC[C@@H](N2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)C1=O ZINC000662204309 954380207 /nfs/dbraw/zinc/38/02/07/954380207.db2.gz HDLXFGVLGOVBEE-LJQANCHMSA-N -1 1 399.491 1.575 20 0 GDADMM C[C@@H]1CN(Cc2ccc(CNC(=O)[C@]3(C(=O)[O-])CCCO3)cc2)C[C@H](C)O1 ZINC001589399301 954399630 /nfs/dbraw/zinc/39/96/30/954399630.db2.gz OTGHAJAHDOWVJG-MDOVXXIYSA-N -1 1 376.453 1.546 20 0 GDADMM CN(CCCN(C)C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O)Cc1ccco1 ZINC001593750957 954407708 /nfs/dbraw/zinc/40/77/08/954407708.db2.gz APBBASSMPFQSOH-INIZCTEOSA-N -1 1 394.472 1.209 20 0 GDADMM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccc2cccnn21 ZINC001594889804 954509071 /nfs/dbraw/zinc/50/90/71/954509071.db2.gz NIXPIPOQCXRCNO-JQWIXIFHSA-N -1 1 384.314 1.071 20 0 GDADMM CN1CCN(c2cc(C(=O)N3Cc4ccccc4[C@@H](C(=O)[O-])C3)ccn2)CC1 ZINC000663134930 954523401 /nfs/dbraw/zinc/52/34/01/954523401.db2.gz MRXMGMBNURLPMI-SFHVURJKSA-N -1 1 380.448 1.658 20 0 GDADMM 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/nfs/dbraw/zinc/24/97/21/532249721.db2.gz JNYVELUQTLTOPG-UHFFFAOYSA-N -1 1 382.232 1.934 20 0 GDADMM Cc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)=C[C@H](C)C2)c1 ZINC000348353460 532266991 /nfs/dbraw/zinc/26/69/91/532266991.db2.gz RGQJZTJGJVBNPF-AWEZNQCLSA-N -1 1 387.527 1.750 20 0 GDADMM Cc1nc(S(=O)(=O)[N-][C@H](C)[C@@H](O)c2ccccc2)c(Br)n1C ZINC000288360050 532284629 /nfs/dbraw/zinc/28/46/29/532284629.db2.gz IPEKWUAHMSQAHB-BXKDBHETSA-N -1 1 388.287 1.891 20 0 GDADMM O=C([O-])CN1CCCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CC1 ZINC000275324339 532286969 /nfs/dbraw/zinc/28/69/69/532286969.db2.gz POJMCJQKYFXVNX-UHFFFAOYSA-N -1 1 384.351 1.626 20 0 GDADMM Cc1nc(S(=O)(=O)[N-][C@@H]2CC(=O)N(C(C)(C)C)C2)c(Br)n1C ZINC000288231622 532274309 /nfs/dbraw/zinc/27/43/09/532274309.db2.gz RXZOFSKOXDPTJZ-SECBINFHSA-N -1 1 393.307 1.169 20 0 GDADMM C[C@@]1(F)CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccc(Cl)cn2)C1 ZINC000349458165 532290651 /nfs/dbraw/zinc/29/06/51/532290651.db2.gz FZUZAEWYPVBEAN-CYBMUJFWSA-N -1 1 399.897 1.631 20 0 GDADMM C[C@@H](NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1nncn1C ZINC000289405953 532323235 /nfs/dbraw/zinc/32/32/35/532323235.db2.gz AWJYDCJPDPGKBM-MRVPVSSYSA-N -1 1 392.268 1.278 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)Nc2cnn(-c3ccccn3)c2)cc1-c1nn[n-]n1 ZINC000737186495 598892044 /nfs/dbraw/zinc/89/20/44/598892044.db2.gz IHDOCIOVQFJXFX-UHFFFAOYSA-N -1 1 395.408 1.522 20 0 GDADMM COC(=O)c1ccnc(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)c1 ZINC000736958095 598913171 /nfs/dbraw/zinc/91/31/71/598913171.db2.gz YMWFDKRIENQEIX-UHFFFAOYSA-N -1 1 397.395 1.337 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCC1(O)CCCCC1 ZINC000737488454 598930026 /nfs/dbraw/zinc/93/00/26/598930026.db2.gz VMMHBGXFNIUYCY-UHFFFAOYSA-N -1 1 398.471 1.270 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCC1(O)CCCCC1 ZINC000737488454 598930027 /nfs/dbraw/zinc/93/00/27/598930027.db2.gz VMMHBGXFNIUYCY-UHFFFAOYSA-N -1 1 398.471 1.270 20 0 GDADMM COCCNc1nnc(Sc2c3ccccc3nnc2-c2nn[n-]n2)s1 ZINC000737006671 598935041 /nfs/dbraw/zinc/93/50/41/598935041.db2.gz MFKCFFKJZVVWDN-UHFFFAOYSA-N -1 1 387.454 1.871 20 0 GDADMM CS(=O)(=O)Cc1ccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000737163522 598936825 /nfs/dbraw/zinc/93/68/25/598936825.db2.gz XJQKKXHPFGSXIE-UHFFFAOYSA-N -1 1 395.448 1.967 20 0 GDADMM CS(=O)(=O)Cc1ccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000737163522 598936826 /nfs/dbraw/zinc/93/68/26/598936826.db2.gz XJQKKXHPFGSXIE-UHFFFAOYSA-N -1 1 395.448 1.967 20 0 GDADMM Cc1c(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cccc1S(=O)(=O)NC1CC1 ZINC000737220450 598946128 /nfs/dbraw/zinc/94/61/28/598946128.db2.gz YOBQWIYREIUNFI-UHFFFAOYSA-N -1 1 399.436 1.263 20 0 GDADMM Cc1c(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cccc1S(=O)(=O)NC1CC1 ZINC000737220450 598946129 /nfs/dbraw/zinc/94/61/29/598946129.db2.gz YOBQWIYREIUNFI-UHFFFAOYSA-N -1 1 399.436 1.263 20 0 GDADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2C ZINC000737225677 598948749 /nfs/dbraw/zinc/94/87/49/598948749.db2.gz QEFWLGIUVBPZCM-UHFFFAOYSA-N -1 1 398.448 1.885 20 0 GDADMM CS(=O)(=O)c1ccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000737172597 598958582 /nfs/dbraw/zinc/95/85/82/598958582.db2.gz DAQLUKMUYLUOJC-UHFFFAOYSA-N -1 1 381.421 1.826 20 0 GDADMM CS(=O)(=O)c1ccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000737172597 598958583 /nfs/dbraw/zinc/95/85/83/598958583.db2.gz DAQLUKMUYLUOJC-UHFFFAOYSA-N -1 1 381.421 1.826 20 0 GDADMM CCn1ccnc1CN1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000736723502 598966079 /nfs/dbraw/zinc/96/60/79/598966079.db2.gz VSQSDAUIDRPOHB-UHFFFAOYSA-N -1 1 390.455 1.349 20 0 GDADMM CCn1ccnc1CN1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000736723502 598966081 /nfs/dbraw/zinc/96/60/81/598966081.db2.gz VSQSDAUIDRPOHB-UHFFFAOYSA-N -1 1 390.455 1.349 20 0 GDADMM Cc1nc(C)n([C@H]2CCCN(c3c4ccccc4nnc3-c3nnn[n-]3)C2)n1 ZINC000737474218 598967382 /nfs/dbraw/zinc/96/73/82/598967382.db2.gz PMIXJDZWAJIJRX-ZDUSSCGKSA-N -1 1 376.428 1.860 20 0 GDADMM Cc1nc(C)n([C@H]2CCCN(c3c4ccccc4nnc3-c3nn[n-]n3)C2)n1 ZINC000737474218 598967383 /nfs/dbraw/zinc/96/73/83/598967383.db2.gz PMIXJDZWAJIJRX-ZDUSSCGKSA-N -1 1 376.428 1.860 20 0 GDADMM Cc1ccc(N2CCC[C@@H](Nc3c4ccccc4nnc3-c3nnn[n-]3)C2)nn1 ZINC000737350789 598967422 /nfs/dbraw/zinc/96/74/22/598967422.db2.gz HYROVZKRDCQZGM-CYBMUJFWSA-N -1 1 388.439 1.989 20 0 GDADMM Cc1ccc(N2CCC[C@@H](Nc3c4ccccc4nnc3-c3nn[n-]n3)C2)nn1 ZINC000737350789 598967423 /nfs/dbraw/zinc/96/74/23/598967423.db2.gz HYROVZKRDCQZGM-CYBMUJFWSA-N -1 1 388.439 1.989 20 0 GDADMM Cc1nccn1-c1ccc([N-]S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)cn1 ZINC000737301949 598969068 /nfs/dbraw/zinc/96/90/68/598969068.db2.gz YAUBLHBOKYLWKN-UHFFFAOYSA-N -1 1 396.436 1.865 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000738258638 598990279 /nfs/dbraw/zinc/99/02/79/598990279.db2.gz JLYMIEJSHFTRAW-UHFFFAOYSA-N -1 1 399.361 1.138 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000738258638 598990281 /nfs/dbraw/zinc/99/02/81/598990281.db2.gz JLYMIEJSHFTRAW-UHFFFAOYSA-N -1 1 399.361 1.138 20 0 GDADMM COc1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c(C(=O)N(C)C)cc1OC ZINC000737052901 598991100 /nfs/dbraw/zinc/99/11/00/598991100.db2.gz CLUSVXZFHKACHP-UHFFFAOYSA-N -1 1 397.395 1.233 20 0 GDADMM COc1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c(C(=O)N(C)C)cc1OC ZINC000737052901 598991101 /nfs/dbraw/zinc/99/11/01/598991101.db2.gz CLUSVXZFHKACHP-UHFFFAOYSA-N -1 1 397.395 1.233 20 0 GDADMM O=C(NCc1cccnc1OCC(F)(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC000738122929 598991370 /nfs/dbraw/zinc/99/13/70/598991370.db2.gz ANCZUVADGDJDIZ-UHFFFAOYSA-N -1 1 379.302 1.528 20 0 GDADMM O=C(NCc1cccnc1OCC(F)(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC000738122929 598991372 /nfs/dbraw/zinc/99/13/72/598991372.db2.gz ANCZUVADGDJDIZ-UHFFFAOYSA-N -1 1 379.302 1.528 20 0 GDADMM COc1ccc(-c2nc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)n[nH]2)c(OC)c1 ZINC000737055858 598999996 /nfs/dbraw/zinc/99/99/96/598999996.db2.gz ITOHBVNJCYQXNS-UHFFFAOYSA-N -1 1 393.367 1.316 20 0 GDADMM COC(=O)C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(OC)cc1 ZINC000736913016 599001545 /nfs/dbraw/zinc/00/15/45/599001545.db2.gz WBOAWJFRBUBJMT-HNNXBMFYSA-N -1 1 382.380 1.305 20 0 GDADMM COC(=O)C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(OC)cc1 ZINC000736913016 599001548 /nfs/dbraw/zinc/00/15/48/599001548.db2.gz WBOAWJFRBUBJMT-HNNXBMFYSA-N -1 1 382.380 1.305 20 0 GDADMM CC(C)[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1nc(-c2ccncc2)no1 ZINC000735723081 599001569 /nfs/dbraw/zinc/00/15/69/599001569.db2.gz YQKLWFXNCZPHGD-CQSZACIVSA-N -1 1 391.395 1.834 20 0 GDADMM CC(C)[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1nc(-c2ccncc2)no1 ZINC000735723081 599001570 /nfs/dbraw/zinc/00/15/70/599001570.db2.gz YQKLWFXNCZPHGD-CQSZACIVSA-N -1 1 391.395 1.834 20 0 GDADMM COC(=O)c1cc(C)nc2nc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)sc21 ZINC000736939646 599006139 /nfs/dbraw/zinc/00/61/39/599006139.db2.gz JNGPUPCWUFQPTD-UHFFFAOYSA-N -1 1 396.392 1.614 20 0 GDADMM COC(=O)c1cc(C)nc2nc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)sc21 ZINC000736939646 599006141 /nfs/dbraw/zinc/00/61/41/599006141.db2.gz JNGPUPCWUFQPTD-UHFFFAOYSA-N -1 1 396.392 1.614 20 0 GDADMM O=S(=O)(N[C@H]1C[C@H]1c1c(F)cccc1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000738330667 599007342 /nfs/dbraw/zinc/00/73/42/599007342.db2.gz RMTHSRJKDQJEKK-RNCFNFMXSA-N -1 1 394.819 1.889 20 0 GDADMM O=S(=O)(N[C@H]1C[C@H]1c1c(F)cccc1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000738330667 599007345 /nfs/dbraw/zinc/00/73/45/599007345.db2.gz RMTHSRJKDQJEKK-RNCFNFMXSA-N -1 1 394.819 1.889 20 0 GDADMM CCO[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C12CCCC2 ZINC000736611130 599009353 /nfs/dbraw/zinc/00/93/53/599009353.db2.gz IUCGCGJMOBGAIP-GJZGRUSLSA-N -1 1 392.485 1.620 20 0 GDADMM CCO[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C12CCCC2 ZINC000736611130 599009355 /nfs/dbraw/zinc/00/93/55/599009355.db2.gz IUCGCGJMOBGAIP-GJZGRUSLSA-N -1 1 392.485 1.620 20 0 GDADMM C[C@H]1CCCN(C(=O)C2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)C1 ZINC000736268477 599021999 /nfs/dbraw/zinc/02/19/99/599021999.db2.gz XKHACZKESRZDJJ-ZDUSSCGKSA-N -1 1 383.456 1.372 20 0 GDADMM C[C@H]1CCCN(C(=O)C2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)C1 ZINC000736268477 599022001 /nfs/dbraw/zinc/02/20/01/599022001.db2.gz XKHACZKESRZDJJ-ZDUSSCGKSA-N -1 1 383.456 1.372 20 0 GDADMM Cc1nc(C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)c2ccccn12 ZINC000737553534 599059262 /nfs/dbraw/zinc/05/92/62/599059262.db2.gz XITOACLCJVKSCW-UHFFFAOYSA-N -1 1 395.379 1.828 20 0 GDADMM COc1ccc(-c2nc(S[C@H]3CCNC3=O)[nH]c(=O)c2-c2nn[n-]n2)cc1 ZINC000821731840 607258157 /nfs/dbraw/zinc/25/81/57/607258157.db2.gz HOYRGHAFAQZWPA-JTQLQIEISA-N -1 1 385.409 1.019 20 0 GDADMM O=C(Nc1ccc(I)cn1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738172259 599088624 /nfs/dbraw/zinc/08/86/24/599088624.db2.gz DYGYAMJCYQTLSI-UHFFFAOYSA-N -1 1 393.148 1.514 20 0 GDADMM O=C(Nc1ccc(I)cn1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738172259 599088627 /nfs/dbraw/zinc/08/86/27/599088627.db2.gz DYGYAMJCYQTLSI-UHFFFAOYSA-N -1 1 393.148 1.514 20 0 GDADMM CC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735485879 599131353 /nfs/dbraw/zinc/13/13/53/599131353.db2.gz XKTJJPKLEUXMRT-SNVBAGLBSA-N -1 1 380.364 1.648 20 0 GDADMM CC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735485879 599131355 /nfs/dbraw/zinc/13/13/55/599131355.db2.gz XKTJJPKLEUXMRT-SNVBAGLBSA-N -1 1 380.364 1.648 20 0 GDADMM CCN(Cc1cccc(F)c1)C(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736558234 599138826 /nfs/dbraw/zinc/13/88/26/599138826.db2.gz FVHWJLLAIIWRCI-UHFFFAOYSA-N -1 1 384.371 1.606 20 0 GDADMM CCN(Cc1cccc(F)c1)C(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736558234 599138828 /nfs/dbraw/zinc/13/88/28/599138828.db2.gz FVHWJLLAIIWRCI-UHFFFAOYSA-N -1 1 384.371 1.606 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)NCc1ccccc1Cl ZINC000736157818 599139037 /nfs/dbraw/zinc/13/90/37/599139037.db2.gz NHTWBRUPSUWTEM-SNVBAGLBSA-N -1 1 386.799 1.777 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)NCc1ccccc1Cl ZINC000736157818 599139040 /nfs/dbraw/zinc/13/90/40/599139040.db2.gz NHTWBRUPSUWTEM-SNVBAGLBSA-N -1 1 386.799 1.777 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ncnc2cc(Cl)ccc21 ZINC000821601767 599144367 /nfs/dbraw/zinc/14/43/67/599144367.db2.gz YNWCNTJAEAFHLJ-UHFFFAOYSA-N -1 1 384.835 1.838 20 0 GDADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(Cc2nnc(-c3cccc(F)c3)o2)c1 ZINC000736941133 599162308 /nfs/dbraw/zinc/16/23/08/599162308.db2.gz QASMBJBQHLLIBO-UHFFFAOYSA-N -1 1 397.326 1.052 20 0 GDADMM Cc1c(C[S@](C)=O)cccc1[N-]S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000737216708 599197115 /nfs/dbraw/zinc/19/71/15/599197115.db2.gz WYLMEXQZSKTITR-VWLOTQADSA-N -1 1 391.478 1.854 20 0 GDADMM C[S@@](=O)CCNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000737174612 599200227 /nfs/dbraw/zinc/20/02/27/599200227.db2.gz WCHQZLTWLTWMDE-HHHXNRCGSA-N -1 1 389.412 1.906 20 0 GDADMM C[S@@](=O)CCNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000737174612 599200228 /nfs/dbraw/zinc/20/02/28/599200228.db2.gz WCHQZLTWLTWMDE-HHHXNRCGSA-N -1 1 389.412 1.906 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000822534841 599207505 /nfs/dbraw/zinc/20/75/05/599207505.db2.gz APOKFOMRRXKDQV-RAIGVLPGSA-N -1 1 395.423 1.298 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000822534841 599207507 /nfs/dbraw/zinc/20/75/07/599207507.db2.gz APOKFOMRRXKDQV-RAIGVLPGSA-N -1 1 395.423 1.298 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)OC(C)(C)C ZINC000821596283 599207524 /nfs/dbraw/zinc/20/75/24/599207524.db2.gz FUJQLKGRRUGFJQ-CYBMUJFWSA-N -1 1 387.444 1.733 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)OC(C)(C)C ZINC000821596283 599207525 /nfs/dbraw/zinc/20/75/25/599207525.db2.gz FUJQLKGRRUGFJQ-CYBMUJFWSA-N -1 1 387.444 1.733 20 0 GDADMM C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC(C(=O)[O-])CC1 ZINC000262669610 596923657 /nfs/dbraw/zinc/92/36/57/596923657.db2.gz RAVPJZDYNINBTO-PGBBXINNSA-N -1 1 377.485 1.966 20 0 GDADMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)/C=C/c1ccc(Br)cc1 ZINC000739605664 596926696 /nfs/dbraw/zinc/92/66/96/596926696.db2.gz DPIHHOAAIVUADS-JXMROGBWSA-N -1 1 391.287 1.698 20 0 GDADMM CNc1ncc(C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)s1 ZINC000821637346 607262110 /nfs/dbraw/zinc/26/21/10/607262110.db2.gz BWLHKFAVBJQVOL-UHFFFAOYSA-N -1 1 377.386 1.370 20 0 GDADMM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c2ccc(F)cc2O1 ZINC000736290561 599235470 /nfs/dbraw/zinc/23/54/70/599235470.db2.gz QWKXXFGUQZYUBX-VIFPVBQESA-N -1 1 376.373 1.377 20 0 GDADMM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c2ccc(F)cc2O1 ZINC000736290561 599235472 /nfs/dbraw/zinc/23/54/72/599235472.db2.gz QWKXXFGUQZYUBX-VIFPVBQESA-N -1 1 376.373 1.377 20 0 GDADMM COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000509216594 597112450 /nfs/dbraw/zinc/11/24/50/597112450.db2.gz FEVBYYXGMZITIR-UHFFFAOYSA-N -1 1 378.406 1.701 20 0 GDADMM COc1cccc([C@@H](CNC(=O)C(=O)Nc2ccccc2C(=O)[O-])N(C)C)c1 ZINC000820858892 598172791 /nfs/dbraw/zinc/17/27/91/598172791.db2.gz ZKFRUIOPHHOXED-QGZVFWFLSA-N -1 1 385.420 1.751 20 0 GDADMM CCOc1ccccc1[C@@H](CC)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736653045 598246275 /nfs/dbraw/zinc/24/62/75/598246275.db2.gz DZFDVPKOUZTNAI-GFCCVEGCSA-N -1 1 385.428 1.226 20 0 GDADMM CCCC(=O)N[C@H]1CCCN(CC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)C1 ZINC000736409090 598257492 /nfs/dbraw/zinc/25/74/92/598257492.db2.gz CVGOPRNNTUQMRS-ZDUSSCGKSA-N -1 1 389.460 1.396 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC[C@H](O)Cc2ccccc2)cc1-c1nn[n-]n1 ZINC000737187022 598260430 /nfs/dbraw/zinc/26/04/30/598260430.db2.gz NRXZYFADBBLYBM-LLVKDONJSA-N -1 1 386.437 1.023 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N(Cc1ccco1)Cc1ccco1 ZINC000738353845 598261628 /nfs/dbraw/zinc/26/16/28/598261628.db2.gz HQOIESKRHNFXDP-UHFFFAOYSA-N -1 1 386.393 1.839 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N(Cc1ccco1)Cc1ccco1 ZINC000738353845 598261630 /nfs/dbraw/zinc/26/16/30/598261630.db2.gz HQOIESKRHNFXDP-UHFFFAOYSA-N -1 1 386.393 1.839 20 0 GDADMM CC(=O)Nc1cccc([C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000735488722 598262850 /nfs/dbraw/zinc/26/28/50/598262850.db2.gz MFHWJUKKLAGTTN-SNVBAGLBSA-N -1 1 387.425 1.260 20 0 GDADMM CC(=O)Nc1cccc([C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000735488722 598262852 /nfs/dbraw/zinc/26/28/52/598262852.db2.gz MFHWJUKKLAGTTN-SNVBAGLBSA-N -1 1 387.425 1.260 20 0 GDADMM C[C@@H](c1cc(F)ccc1F)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736197728 598266794 /nfs/dbraw/zinc/26/67/94/598266794.db2.gz OKSRKSZWMPMEPE-VIFPVBQESA-N -1 1 380.380 1.922 20 0 GDADMM C[C@@H](c1cc(F)ccc1F)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736197728 598266795 /nfs/dbraw/zinc/26/67/95/598266795.db2.gz OKSRKSZWMPMEPE-VIFPVBQESA-N -1 1 380.380 1.922 20 0 GDADMM O=S(=O)(NC1CCN(c2ccccc2)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738341699 598267854 /nfs/dbraw/zinc/26/78/54/598267854.db2.gz DPEZPXMVRZPSBG-UHFFFAOYSA-N -1 1 385.453 1.209 20 0 GDADMM O=S(=O)(NC1CCN(c2ccccc2)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738341699 598267855 /nfs/dbraw/zinc/26/78/55/598267855.db2.gz DPEZPXMVRZPSBG-UHFFFAOYSA-N -1 1 385.453 1.209 20 0 GDADMM CC(C)COc1cccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000735844823 598268362 /nfs/dbraw/zinc/26/83/62/598268362.db2.gz OEBPWSJPTNMSRP-UHFFFAOYSA-N -1 1 388.453 1.775 20 0 GDADMM CC(C)COc1cccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000735844823 598268360 /nfs/dbraw/zinc/26/83/60/598268360.db2.gz OEBPWSJPTNMSRP-UHFFFAOYSA-N -1 1 388.453 1.775 20 0 GDADMM COc1cc(CN(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc(OC)c1 ZINC000737045628 598269147 /nfs/dbraw/zinc/26/91/47/598269147.db2.gz JNKJWZWTXWOTCE-UHFFFAOYSA-N -1 1 390.425 1.100 20 0 GDADMM COc1cc(CN(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc(OC)c1 ZINC000737045628 598269149 /nfs/dbraw/zinc/26/91/49/598269149.db2.gz JNKJWZWTXWOTCE-UHFFFAOYSA-N -1 1 390.425 1.100 20 0 GDADMM O=C(Nc1cccc(-c2nn[nH]n2)c1)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000738178518 598287212 /nfs/dbraw/zinc/28/72/12/598287212.db2.gz UTWXMSMBQRVQJA-UHFFFAOYSA-N -1 1 393.407 1.458 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCc2cccc(COC(C)(C)C)c2)n(C)c1=O ZINC000737598074 598299229 /nfs/dbraw/zinc/29/92/29/598299229.db2.gz XYLQZJIKJIEGGV-UHFFFAOYSA-N -1 1 399.455 1.191 20 0 GDADMM CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)c1nccnc1-c1nnn[n-]1 ZINC000736795019 598346677 /nfs/dbraw/zinc/34/66/77/598346677.db2.gz VGBMIDBMPROPGQ-LLVKDONJSA-N -1 1 395.345 1.552 20 0 GDADMM CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)c1nccnc1-c1nn[n-]n1 ZINC000736795019 598346679 /nfs/dbraw/zinc/34/66/79/598346679.db2.gz VGBMIDBMPROPGQ-LLVKDONJSA-N -1 1 395.345 1.552 20 0 GDADMM Clc1ccc2nc(CN3CCN(c4nccnc4-c4nnn[n-]4)CC3)cn2c1 ZINC000737574810 598348261 /nfs/dbraw/zinc/34/82/61/598348261.db2.gz TXOYNCJLIMCATK-UHFFFAOYSA-N -1 1 396.846 1.280 20 0 GDADMM Clc1ccc2nc(CN3CCN(c4nccnc4-c4nn[n-]n4)CC3)cn2c1 ZINC000737574810 598348263 /nfs/dbraw/zinc/34/82/63/598348263.db2.gz TXOYNCJLIMCATK-UHFFFAOYSA-N -1 1 396.846 1.280 20 0 GDADMM O=C(C1CCN(c2nccnc2-c2nnn[n-]2)CC1)N1CCc2ccccc21 ZINC000737793533 598348932 /nfs/dbraw/zinc/34/89/32/598348932.db2.gz YSDQOSPGQKTZKN-UHFFFAOYSA-N -1 1 376.424 1.462 20 0 GDADMM O=C(C1CCN(c2nccnc2-c2nn[n-]n2)CC1)N1CCc2ccccc21 ZINC000737793533 598348934 /nfs/dbraw/zinc/34/89/34/598348934.db2.gz YSDQOSPGQKTZKN-UHFFFAOYSA-N -1 1 376.424 1.462 20 0 GDADMM CN(C)c1ccc(-c2cncc(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)c2)cc1 ZINC000821588464 607352755 /nfs/dbraw/zinc/35/27/55/607352755.db2.gz UKCUTPLUTXVEPF-UHFFFAOYSA-N -1 1 389.423 1.981 20 0 GDADMM CN(C)c1ccc(-c2cncc(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)c2)cc1 ZINC000821588464 607352757 /nfs/dbraw/zinc/35/27/57/607352757.db2.gz UKCUTPLUTXVEPF-UHFFFAOYSA-N -1 1 389.423 1.981 20 0 GDADMM CCc1nn(CC(=O)N[C@H](C)CCCC(C)C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706581 598378673 /nfs/dbraw/zinc/37/86/73/598378673.db2.gz XZDWYQQPSRSQOI-CYBMUJFWSA-N -1 1 389.504 1.879 20 0 GDADMM CCc1nn(CC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736704935 598379071 /nfs/dbraw/zinc/37/90/71/598379071.db2.gz AOMPLPRGHINDCE-LALPHHSUSA-N -1 1 387.488 1.489 20 0 GDADMM CCc1nn(CC(=O)N2CCc3sccc3C2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705227 598379142 /nfs/dbraw/zinc/37/91/42/598379142.db2.gz DJLDRNVJVFLUDR-UHFFFAOYSA-N -1 1 399.480 1.195 20 0 GDADMM COC(=O)c1ccc2[nH]c3c(c2c1)CN(c1cnc(-c2nnn[n-]2)cn1)CC3 ZINC000736947684 598385636 /nfs/dbraw/zinc/38/56/36/598385636.db2.gz DAYXOESWTCLCCM-UHFFFAOYSA-N -1 1 376.380 1.487 20 0 GDADMM COC(=O)c1ccc2[nH]c3c(c2c1)CN(c1cnc(-c2nn[n-]n2)cn1)CC3 ZINC000736947684 598385637 /nfs/dbraw/zinc/38/56/37/598385637.db2.gz DAYXOESWTCLCCM-UHFFFAOYSA-N -1 1 376.380 1.487 20 0 GDADMM CSCc1ccc(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000737180565 598477114 /nfs/dbraw/zinc/47/71/14/598477114.db2.gz CXSMCTODIADWIR-UHFFFAOYSA-N -1 1 387.473 1.789 20 0 GDADMM CSCc1ccc(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000737180565 598477116 /nfs/dbraw/zinc/47/71/16/598477116.db2.gz CXSMCTODIADWIR-UHFFFAOYSA-N -1 1 387.473 1.789 20 0 GDADMM Cc1ncsc1CN(C)C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000737501933 598534909 /nfs/dbraw/zinc/53/49/09/598534909.db2.gz BPGHLBWNYUAZFP-UHFFFAOYSA-N -1 1 387.469 1.940 20 0 GDADMM CCc1nn(CC(=O)N(C)CC2CCCCC2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705686 598642196 /nfs/dbraw/zinc/64/21/96/598642196.db2.gz NQNYQWLBOAZUCR-UHFFFAOYSA-N -1 1 387.488 1.587 20 0 GDADMM CCOC(=O)CN(CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)CC(C)C ZINC000821330472 607364073 /nfs/dbraw/zinc/36/40/73/607364073.db2.gz LOSJKVCXDCVMTB-UHFFFAOYSA-N -1 1 378.433 1.536 20 0 GDADMM COc1c(C=O)cccc1OS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737024352 598688419 /nfs/dbraw/zinc/68/84/19/598688419.db2.gz GVUANQQKAIMSTA-UHFFFAOYSA-N -1 1 378.341 1.595 20 0 GDADMM CO[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)c1ccccc1 ZINC000736959369 598749240 /nfs/dbraw/zinc/74/92/40/598749240.db2.gz BMRDFPRCBODYRH-ZDUSSCGKSA-N -1 1 386.437 1.807 20 0 GDADMM C[C@@H]1CN(CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)CCS1 ZINC000736289258 598766275 /nfs/dbraw/zinc/76/62/75/598766275.db2.gz VFVJRCZPVDIAMX-GFCCVEGCSA-N -1 1 384.469 1.428 20 0 GDADMM Cc1ccc([C@H]2COCCN2S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)o1 ZINC000822233760 599345605 /nfs/dbraw/zinc/34/56/05/599345605.db2.gz UPWPEEYVEKDITL-GFCCVEGCSA-N -1 1 393.400 1.669 20 0 GDADMM Cc1ccc([C@H]2COCCN2S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)o1 ZINC000822233760 599345608 /nfs/dbraw/zinc/34/56/08/599345608.db2.gz UPWPEEYVEKDITL-GFCCVEGCSA-N -1 1 393.400 1.669 20 0 GDADMM O=S(=O)([N-]CCOc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)c(F)c1F ZINC000823578034 599357250 /nfs/dbraw/zinc/35/72/50/599357250.db2.gz GFADUTGCCKDYHL-UHFFFAOYSA-N -1 1 399.354 1.641 20 0 GDADMM O=S(=O)([N-]CCOc1ccc(-c2nn[nH]n2)cc1)c1cc(F)ccc1F ZINC000823578631 599358659 /nfs/dbraw/zinc/35/86/59/599358659.db2.gz QLGNBDJBFWDQDE-UHFFFAOYSA-N -1 1 381.364 1.502 20 0 GDADMM C[C@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)Sc1ccccc1 ZINC000820274903 599369029 /nfs/dbraw/zinc/36/90/29/599369029.db2.gz LXWVLTRQHQYHCQ-LLVKDONJSA-N -1 1 376.467 1.721 20 0 GDADMM C[C@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)Sc1ccccc1 ZINC000820274903 599369032 /nfs/dbraw/zinc/36/90/32/599369032.db2.gz LXWVLTRQHQYHCQ-LLVKDONJSA-N -1 1 376.467 1.721 20 0 GDADMM Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737400985 599375228 /nfs/dbraw/zinc/37/52/28/599375228.db2.gz VSGFLLDZNLQASQ-HNNXBMFYSA-N -1 1 395.448 1.724 20 0 GDADMM Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737400985 599375231 /nfs/dbraw/zinc/37/52/31/599375231.db2.gz VSGFLLDZNLQASQ-HNNXBMFYSA-N -1 1 395.448 1.724 20 0 GDADMM COc1cc(CNc2cccc(-c3nnn[n-]3)n2)ccc1OCC(=O)N(C)C ZINC000737048227 599409117 /nfs/dbraw/zinc/40/91/17/599409117.db2.gz XXVFARMEQGTREW-UHFFFAOYSA-N -1 1 383.412 1.349 20 0 GDADMM COc1cc(CNc2cccc(-c3nn[n-]n3)n2)ccc1OCC(=O)N(C)C ZINC000737048227 599409118 /nfs/dbraw/zinc/40/91/18/599409118.db2.gz XXVFARMEQGTREW-UHFFFAOYSA-N -1 1 383.412 1.349 20 0 GDADMM O=C(NCCNc1cccc(-c2nnn[n-]2)n1)c1cccc(Br)c1 ZINC000738077192 599422763 /nfs/dbraw/zinc/42/27/63/599422763.db2.gz BSCDVWJQDYCHSG-UHFFFAOYSA-N -1 1 388.229 1.866 20 0 GDADMM O=C(NCCNc1cccc(-c2nn[n-]n2)n1)c1cccc(Br)c1 ZINC000738077192 599422766 /nfs/dbraw/zinc/42/27/66/599422766.db2.gz BSCDVWJQDYCHSG-UHFFFAOYSA-N -1 1 388.229 1.866 20 0 GDADMM O=C(CCOc1ccccc1)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000737850250 599422864 /nfs/dbraw/zinc/42/28/64/599422864.db2.gz OQOIPGUSUYVNDK-UHFFFAOYSA-N -1 1 379.424 1.379 20 0 GDADMM O=C(CCOc1ccccc1)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000737850250 599422865 /nfs/dbraw/zinc/42/28/65/599422865.db2.gz OQOIPGUSUYVNDK-UHFFFAOYSA-N -1 1 379.424 1.379 20 0 GDADMM C[C@@H](Oc1ccccc1F)C(=O)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000736189774 599472485 /nfs/dbraw/zinc/47/24/85/599472485.db2.gz QYOOGFAXLVPCKW-CYBMUJFWSA-N -1 1 397.414 1.517 20 0 GDADMM C[C@@H](Oc1ccccc1F)C(=O)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000736189774 599472488 /nfs/dbraw/zinc/47/24/88/599472488.db2.gz QYOOGFAXLVPCKW-CYBMUJFWSA-N -1 1 397.414 1.517 20 0 GDADMM Cc1cccc(O[C@@H](C)C(=O)N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)c1 ZINC000737400998 599472944 /nfs/dbraw/zinc/47/29/44/599472944.db2.gz IJIBUMABRBNDRG-HNNXBMFYSA-N -1 1 393.451 1.686 20 0 GDADMM Cc1cccc(O[C@@H](C)C(=O)N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)c1 ZINC000737400998 599472946 /nfs/dbraw/zinc/47/29/46/599472946.db2.gz IJIBUMABRBNDRG-HNNXBMFYSA-N -1 1 393.451 1.686 20 0 GDADMM O=S(=O)(NC1(c2ccccc2)CCOCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738330879 599481850 /nfs/dbraw/zinc/48/18/50/599481850.db2.gz UDIOTAUJGOWFNP-UHFFFAOYSA-N -1 1 386.437 1.246 20 0 GDADMM O=S(=O)(NC1(c2ccccc2)CCOCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738330879 599481852 /nfs/dbraw/zinc/48/18/52/599481852.db2.gz UDIOTAUJGOWFNP-UHFFFAOYSA-N -1 1 386.437 1.246 20 0 GDADMM CCCC(O)(CCC)CNC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000821020619 599489513 /nfs/dbraw/zinc/48/95/13/599489513.db2.gz FXTCELZDOCBXMN-UHFFFAOYSA-N -1 1 380.474 1.750 20 0 GDADMM C[C@H](O)CNC(=O)c1cccc(Oc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000820481691 599559755 /nfs/dbraw/zinc/55/97/55/599559755.db2.gz YJFLFOPSHJUNIZ-NSHDSACASA-N -1 1 391.391 1.713 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCc2ccc(O)c(F)c2)cc1-c1nn[n-]n1 ZINC000737188059 599604457 /nfs/dbraw/zinc/60/44/57/599604457.db2.gz XFRXIVZZIBPPHD-UHFFFAOYSA-N -1 1 376.373 1.464 20 0 GDADMM CCCC[C@H](C(=O)OC)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000821040881 599635728 /nfs/dbraw/zinc/63/57/28/599635728.db2.gz ULVHTUIFIQRASZ-CYBMUJFWSA-N -1 1 389.460 1.586 20 0 GDADMM Cc1oc(NC(=O)COC(=O)CC[C@H]2CC[C@H](C)O2)c(-c2nn[n-]n2)c1C ZINC000822548279 599672106 /nfs/dbraw/zinc/67/21/06/599672106.db2.gz HBUHYFLHKRUDIL-JOYOIKCWSA-N -1 1 377.401 1.906 20 0 GDADMM Cc1oc(CN(C)C(=O)Cc2c(C)nc(-c3ncccn3)[nH]c2=O)cc1C(=O)[O-] ZINC000738230267 599706926 /nfs/dbraw/zinc/70/69/26/599706926.db2.gz PNMXSEGCOSVJTE-UHFFFAOYSA-N -1 1 397.391 1.748 20 0 GDADMM COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)CN(C)C[C@H]1CCCOC1 ZINC000737649271 599763950 /nfs/dbraw/zinc/76/39/50/599763950.db2.gz IOZAZNSCYMSBAK-LLVKDONJSA-N -1 1 384.454 1.838 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)Nc2cc(C(N)=O)ccc2C)c(C(=O)[O-])s1 ZINC000737680491 599815576 /nfs/dbraw/zinc/81/55/76/599815576.db2.gz JSJMJXROKWAQEF-UHFFFAOYSA-N -1 1 398.418 1.441 20 0 GDADMM C[C@@H](C(=O)NCC(=O)[O-])N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000736207958 599851340 /nfs/dbraw/zinc/85/13/40/599851340.db2.gz LICOODKXZHYEQB-AAEUAGOBSA-N -1 1 376.388 1.644 20 0 GDADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000736650364 599854140 /nfs/dbraw/zinc/85/41/40/599854140.db2.gz NEKDJMXGDDPQFZ-LBPRGKRZSA-N -1 1 380.404 1.738 20 0 GDADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)OCc1cccc(C(=O)[O-])c1 ZINC000738229529 599860986 /nfs/dbraw/zinc/86/09/86/599860986.db2.gz JZVOUEUZWJEQFP-UHFFFAOYSA-N -1 1 380.360 1.932 20 0 GDADMM COC(=O)c1sccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C(=O)OC ZINC000737688724 599873929 /nfs/dbraw/zinc/87/39/29/599873929.db2.gz OHUMBGAEOHOJRR-UHFFFAOYSA-N -1 1 399.402 1.820 20 0 GDADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2ccc(-c3nn[nH]n3)cc2C)o1 ZINC000826090116 607404374 /nfs/dbraw/zinc/40/43/74/607404374.db2.gz CSYAYKFMXFEDDD-UHFFFAOYSA-N -1 1 377.382 1.033 20 0 GDADMM C[C@@]1(c2ccc(Br)cc2)CC(=O)N(CN2CC[C@H](C(=O)[O-])C2)C1=O ZINC000736739116 599932556 /nfs/dbraw/zinc/93/25/56/599932556.db2.gz VQFDOYXTUDJFMW-GTNSWQLSSA-N -1 1 395.253 1.830 20 0 GDADMM Cc1ccc(N2CCCN([C@H](C)C(=O)N3CCC(C(=O)[O-])CC3)CC2)nn1 ZINC000738278332 599956532 /nfs/dbraw/zinc/95/65/32/599956532.db2.gz MJKKHSMPJWBWCX-OAHLLOKOSA-N -1 1 375.473 1.009 20 0 GDADMM CC(C)[C@@H](CNC(=O)NCCOc1ccc(C(=O)[O-])cc1)N1CCN(C)CC1 ZINC000736354686 599957025 /nfs/dbraw/zinc/95/70/25/599957025.db2.gz YLQUIJYTUHISQL-GOSISDBHSA-N -1 1 392.500 1.335 20 0 GDADMM CN(CCNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Br)C1CC1 ZINC000737442786 599982777 /nfs/dbraw/zinc/98/27/77/599982777.db2.gz KHUAHHQZTGEUMI-UHFFFAOYSA-N -1 1 395.250 1.659 20 0 GDADMM CN(C)[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Br)C1 ZINC000737359914 599983147 /nfs/dbraw/zinc/98/31/47/599983147.db2.gz YKXYVWOHYASXNY-QMMMGPOBSA-N -1 1 395.250 1.611 20 0 GDADMM CN1CCN(c2cc(CNC(=O)N3Cc4ccc(C(=O)[O-])cc4C3)ccn2)CC1 ZINC000737528305 600014948 /nfs/dbraw/zinc/01/49/48/600014948.db2.gz CTWNEXMNBRUBIY-UHFFFAOYSA-N -1 1 395.463 1.757 20 0 GDADMM Cc1cccc(N2CCN(CCCNC(=O)N3CCO[C@@H](C(=O)[O-])C3)CC2)c1 ZINC000738311382 600035879 /nfs/dbraw/zinc/03/58/79/600035879.db2.gz GAFNWOXRLWOVLC-GOSISDBHSA-N -1 1 390.484 1.002 20 0 GDADMM C[C@H](NC(=O)N1CCO[C@@H](C(=O)[O-])C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000736644702 600040060 /nfs/dbraw/zinc/04/00/60/600040060.db2.gz CVFRYRMGBPTDMI-SUMWQHHRSA-N -1 1 394.447 1.134 20 0 GDADMM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)c1 ZINC000737685904 600169221 /nfs/dbraw/zinc/16/92/21/600169221.db2.gz PKUCVJQUXHUACP-UHFFFAOYSA-N -1 1 398.375 1.718 20 0 GDADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N(CC(=O)[O-])c1ccccc1 ZINC000508003081 600197461 /nfs/dbraw/zinc/19/74/61/600197461.db2.gz WPTIKHHNEDRLPW-UHFFFAOYSA-N -1 1 379.376 1.608 20 0 GDADMM O=C([O-])[C@H]1CC12CCN(C(=O)CCn1c(=O)c3ccccc3[nH]c1=S)CC2 ZINC000739526830 600278298 /nfs/dbraw/zinc/27/82/98/600278298.db2.gz QITJBEQHOGUAEN-CYBMUJFWSA-N -1 1 387.461 1.789 20 0 GDADMM CN(CC(=O)[O-])C(=O)CCN1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC000737401434 600290390 /nfs/dbraw/zinc/29/03/90/600290390.db2.gz OKYALOYVPWKXFP-UHFFFAOYSA-N -1 1 382.530 1.491 20 0 GDADMM O=C([O-])[C@@H]1CC12CCN(CC(=O)NCc1cccc(C(=O)NC3CC3)c1)CC2 ZINC000739277691 600306428 /nfs/dbraw/zinc/30/64/28/600306428.db2.gz GLUDECGUQUWMFV-KRWDZBQOSA-N -1 1 385.464 1.382 20 0 GDADMM Cc1cc(C(=O)[O-])ccc1N1C(=O)C[C@@H]([NH+]2CCC3(C[C@@H]3C(=O)[O-])CC2)C1=O ZINC000738344642 600315382 /nfs/dbraw/zinc/31/53/82/600315382.db2.gz CVANGCSBHWPKKM-UKRRQHHQSA-N -1 1 386.404 1.512 20 0 GDADMM O=C([O-])Nc1ccc(CNC(=O)CN2CCCC[C@H]2CN2CCOCC2)cc1 ZINC000740025371 600335171 /nfs/dbraw/zinc/33/51/71/600335171.db2.gz SJYZRMUBQOQCMK-SFHVURJKSA-N -1 1 390.484 1.579 20 0 GDADMM O=C([O-])Nc1ccc(NC(=O)C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)cc1 ZINC000738664397 600349245 /nfs/dbraw/zinc/34/92/45/600349245.db2.gz NJNMKNSLGUIZPW-UHFFFAOYSA-N -1 1 398.354 1.956 20 0 GDADMM O=C([O-])Nc1ccc(NC(=O)C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)cc1 ZINC000738664397 600349248 /nfs/dbraw/zinc/34/92/48/600349248.db2.gz NJNMKNSLGUIZPW-UHFFFAOYSA-N -1 1 398.354 1.956 20 0 GDADMM CC(C)[C@H](CNC(=O)Nc1ccc(CNC(=O)[O-])cc1)N1CCN(C)CC1 ZINC000736353431 600349898 /nfs/dbraw/zinc/34/98/98/600349898.db2.gz NTWRADISYAUVSH-KRWDZBQOSA-N -1 1 377.489 1.848 20 0 GDADMM O=C([O-])c1ccc2c(c1)CN(C(=O)C(=O)Nc1ccn(-c3ccncc3)n1)C2 ZINC000739487320 600355074 /nfs/dbraw/zinc/35/50/74/600355074.db2.gz JBNKBAGZKIBKRD-UHFFFAOYSA-N -1 1 377.360 1.446 20 0 GDADMM CC[C@@H](O)[C@H]1CCCCN1CC(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC000736925635 600393132 /nfs/dbraw/zinc/39/31/32/600393132.db2.gz VOQLWDRCMQNDIR-HZPDHXFCSA-N -1 1 378.425 1.735 20 0 GDADMM CC(C)N(CCC(=O)[O-])CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000736466442 600395654 /nfs/dbraw/zinc/39/56/54/600395654.db2.gz WTUKAAWQXNSMJM-UHFFFAOYSA-N -1 1 397.497 1.595 20 0 GDADMM Cc1c(C(=O)[O-])sc2[nH]c(CNC3(CO)Cc4ccccc4C3)nc(=O)c12 ZINC000738291069 600396435 /nfs/dbraw/zinc/39/64/35/600396435.db2.gz OVVQMUMOXHWILV-UHFFFAOYSA-N -1 1 385.445 1.611 20 0 GDADMM C[C@@](CO)(NCC(=O)N1CCC(C(=O)[O-])CC1)c1cccc(C(F)(F)F)c1 ZINC000736607352 600411481 /nfs/dbraw/zinc/41/14/81/600411481.db2.gz UKDPRCWXEHNOLD-KRWDZBQOSA-N -1 1 388.386 1.826 20 0 GDADMM COc1cc(C=CC(=O)[O-])cc(S(=O)(=O)NCc2cc(C)[nH]n2)c1OC ZINC000737875234 600444380 /nfs/dbraw/zinc/44/43/80/600444380.db2.gz ZJOPILGAFOCLMA-PLNGDYQASA-N -1 1 381.410 1.312 20 0 GDADMM O=C([O-])COc1cccc(CNC(=O)CCNC(=O)c2n[nH]c3ccccc32)c1 ZINC000739832189 600619322 /nfs/dbraw/zinc/61/93/22/600619322.db2.gz PJLIOEXZSAFVOH-UHFFFAOYSA-N -1 1 396.403 1.463 20 0 GDADMM O=C([O-])c1ccc(S(=O)(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)s1 ZINC000740177887 600650885 /nfs/dbraw/zinc/65/08/85/600650885.db2.gz SVYGGOSPDBRWLF-UHFFFAOYSA-N -1 1 382.398 1.849 20 0 GDADMM O=C([O-])c1ccc(S(=O)(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)s1 ZINC000740177887 600650886 /nfs/dbraw/zinc/65/08/86/600650886.db2.gz SVYGGOSPDBRWLF-UHFFFAOYSA-N -1 1 382.398 1.849 20 0 GDADMM Cc1nn(C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)c(=O)c(-c2nn[n-]n2)c1C ZINC000822500890 607462234 /nfs/dbraw/zinc/46/22/34/607462234.db2.gz LDVDTOPOOSOHHK-ZDUSSCGKSA-N -1 1 394.357 1.663 20 0 GDADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)cs1 ZINC000614783548 600673487 /nfs/dbraw/zinc/67/34/87/600673487.db2.gz GOCFCIZTLBTTKR-UHFFFAOYSA-N -1 1 395.418 1.299 20 0 GDADMM Cc1cc(NS(=O)(=O)c2csc(C(=O)[O-])c2)ccc1S(N)(=O)=O ZINC000728184167 600680601 /nfs/dbraw/zinc/68/06/01/600680601.db2.gz ASOBUDYYMUFARW-UHFFFAOYSA-N -1 1 376.437 1.203 20 0 GDADMM Cc1nc([C@H]2CN(S(=O)(=O)c3ccc(C(=O)[O-])cc3Cl)CCO2)n[nH]1 ZINC000832990819 600789051 /nfs/dbraw/zinc/78/90/51/600789051.db2.gz ILIMQWUJPFEBGD-LLVKDONJSA-N -1 1 386.817 1.227 20 0 GDADMM C[C@H](CN(C)C(=O)c1[nH]nc2ccc(I)cc21)C(=O)[O-] ZINC000422572194 600884257 /nfs/dbraw/zinc/88/42/57/600884257.db2.gz MFPHVNOLUUOQKA-SSDOTTSWSA-N -1 1 387.177 1.960 20 0 GDADMM COc1cc(C(=O)N[C@@](C)(C(=O)[O-])C2CC2)cc(NS(C)(=O)=O)c1OC ZINC000831871541 600890621 /nfs/dbraw/zinc/89/06/21/600890621.db2.gz ZZDXRWOBDXKVPX-MRXNPFEDSA-N -1 1 386.426 1.058 20 0 GDADMM CCOc1cc(C(=O)N2CCN(C[C@@H](C)O)[C@H](CC)C2)ccc1OCC(=O)[O-] ZINC000830032944 600902315 /nfs/dbraw/zinc/90/23/15/600902315.db2.gz VKMGMHHRFCOJNP-GDBMZVCRSA-N -1 1 394.468 1.466 20 0 GDADMM NC(=O)c1ccc(N2CCCC2)c(NS(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000833085513 600981339 /nfs/dbraw/zinc/98/13/39/600981339.db2.gz RHEZMCCFRUIGLO-UHFFFAOYSA-N -1 1 395.462 1.946 20 0 GDADMM COc1cc(C(=O)[O-])cc(NC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)c1OC ZINC000831897870 601080359 /nfs/dbraw/zinc/08/03/59/601080359.db2.gz YPGAIPWXHKVUMU-GJZGRUSLSA-N -1 1 393.440 1.465 20 0 GDADMM Cc1ccc(C(=O)N2CCN(Cc3ccnc(-c4nnn[n-]4)c3)CC2)cc1F ZINC000826281585 607487267 /nfs/dbraw/zinc/48/72/67/607487267.db2.gz AIJZAWQJOLNLMB-UHFFFAOYSA-N -1 1 381.415 1.667 20 0 GDADMM Cc1ccc(C(=O)N2CCN(Cc3ccnc(-c4nn[n-]n4)c3)CC2)cc1F ZINC000826281585 607487268 /nfs/dbraw/zinc/48/72/68/607487268.db2.gz AIJZAWQJOLNLMB-UHFFFAOYSA-N -1 1 381.415 1.667 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ZINC000739025428 602456871 /nfs/dbraw/zinc/45/68/71/602456871.db2.gz JMHRTXAGQHVWLA-XHDPSFHLSA-N -1 1 389.408 1.385 20 0 GDADMM CN(C[C@@H]1CCN(CC(=O)N2CCN(Cc3ccsc3)CC2)C1)C(=O)[O-] ZINC000739660583 602528245 /nfs/dbraw/zinc/52/82/45/602528245.db2.gz OHIMIKSIIDFXOW-HNNXBMFYSA-N -1 1 380.514 1.324 20 0 GDADMM CN(C[C@H]1CCN(CC(=O)NCc2ccc(N3CCCC3=O)cc2)C1)C(=O)[O-] ZINC000739662354 602528255 /nfs/dbraw/zinc/52/82/55/602528255.db2.gz ZVOISFYRGRFKPQ-MRXNPFEDSA-N -1 1 388.468 1.361 20 0 GDADMM COc1ccc(CCNC(=O)[C@@H](C)N2CCC(N(C)C(=O)[O-])CC2)cc1OC ZINC000738090117 602536157 /nfs/dbraw/zinc/53/61/57/602536157.db2.gz AFLXJZFDXYEGPG-CQSZACIVSA-N -1 1 393.484 1.825 20 0 GDADMM COc1ccc(CCNC(=O)[C@H](C)N2CCC(N(C)C(=O)[O-])CC2)cc1OC ZINC000738090114 602536332 /nfs/dbraw/zinc/53/63/32/602536332.db2.gz AFLXJZFDXYEGPG-AWEZNQCLSA-N -1 1 393.484 1.825 20 0 GDADMM C[C@H](CNC(=O)[O-])N(C)C(=O)NCCN1CCN(Cc2ccccc2)CC1 ZINC000738925951 602611273 /nfs/dbraw/zinc/61/12/73/602611273.db2.gz 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O=C([O-])Nc1ccc(NC(=O)C(=O)NCc2n[nH]c(-c3ccccc3)n2)cn1 ZINC000740706063 602766418 /nfs/dbraw/zinc/76/64/18/602766418.db2.gz PXKMSWAEWIVOQX-UHFFFAOYSA-N -1 1 381.352 1.212 20 0 GDADMM O=C([O-])Nc1ccc(NC(=O)C(=O)NCc2nc(-c3ccccc3)n[nH]2)cn1 ZINC000740706063 602766423 /nfs/dbraw/zinc/76/64/23/602766423.db2.gz PXKMSWAEWIVOQX-UHFFFAOYSA-N -1 1 381.352 1.212 20 0 GDADMM Cc1cccc(CN2CCN(C(=O)CN3CC[C@H](NC(=O)[O-])[C@@H](C)C3)CC2)c1 ZINC000740172159 602770001 /nfs/dbraw/zinc/77/00/01/602770001.db2.gz XLWOXDOMUBPXRZ-HKUYNNGSSA-N -1 1 388.512 1.617 20 0 GDADMM O=C([O-])NCCNC(=O)[C@@H]1CCCN([C@@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000740658674 602782479 /nfs/dbraw/zinc/78/24/79/602782479.db2.gz FBOPCJNWHLFABM-NVXWUHKLSA-N -1 1 388.468 1.278 20 0 GDADMM C[C@@H]1CN(CC(=O)NCCc2ccc(OC(F)F)cc2)CC[C@H]1NC(=O)[O-] ZINC000739168972 602786812 /nfs/dbraw/zinc/78/68/12/602786812.db2.gz DRBQCHWHJOELCB-IUODEOHRSA-N -1 1 385.411 1.925 20 0 GDADMM Cc1nc(C2(NS(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)CCCC2)no1 ZINC000826324344 607587501 /nfs/dbraw/zinc/58/75/01/607587501.db2.gz NHYVXIFKDHEALP-UHFFFAOYSA-N -1 1 393.404 1.445 20 0 GDADMM CC1CCC(N2CCN(C(=O)C(=O)Nc3ccc(NC(=O)[O-])nc3)CC2)CC1 ZINC000739083430 602859450 /nfs/dbraw/zinc/85/94/50/602859450.db2.gz FFYSKLINUXTVIC-UHFFFAOYSA-N -1 1 389.456 1.833 20 0 GDADMM O=S(=O)(NCc1ccn(-c2ccccc2)n1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826491784 607592932 /nfs/dbraw/zinc/59/29/32/607592932.db2.gz AWLAALGDANNQHT-UHFFFAOYSA-N -1 1 399.411 1.670 20 0 GDADMM O=S(=O)(NCc1ccn(-c2ccccc2)n1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826491784 607592933 /nfs/dbraw/zinc/59/29/33/607592933.db2.gz AWLAALGDANNQHT-UHFFFAOYSA-N -1 1 399.411 1.670 20 0 GDADMM COc1ccnc(N2CCN(C(=O)N[C@H]3CCCCN(C(=O)[O-])C3)CC2)c1 ZINC000739983158 602974276 /nfs/dbraw/zinc/97/42/76/602974276.db2.gz DVOYMUXQUUDTMH-AWEZNQCLSA-N -1 1 377.445 1.454 20 0 GDADMM C[C@H](COCC(F)(F)F)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824440606 607598757 /nfs/dbraw/zinc/59/87/57/607598757.db2.gz HADHIGLWMBLVOC-SSDOTTSWSA-N -1 1 383.327 1.252 20 0 GDADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)C[C@H]3CCS(=O)(=O)C3)cc2)n1 ZINC000740681380 603060599 /nfs/dbraw/zinc/06/05/99/603060599.db2.gz IWDAWBFIYJSJTQ-SNVBAGLBSA-N -1 1 393.425 1.003 20 0 GDADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)C[C@H]3CCS(=O)(=O)C3)cc2)n[nH]1 ZINC000740681380 603060603 /nfs/dbraw/zinc/06/06/03/603060603.db2.gz IWDAWBFIYJSJTQ-SNVBAGLBSA-N -1 1 393.425 1.003 20 0 GDADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@H](CNC(=O)[O-])C1CC1 ZINC000740079578 603073924 /nfs/dbraw/zinc/07/39/24/603073924.db2.gz IUTDXHSGLJBMOS-QGZVFWFLSA-N -1 1 375.473 1.915 20 0 GDADMM COc1ccccc1[C@@H](NC(=O)[O-])C(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000829604312 603075927 /nfs/dbraw/zinc/07/59/27/603075927.db2.gz OGHOBSACVSWWLU-ZIAGYGMSSA-N -1 1 375.385 1.031 20 0 GDADMM CCCc1nnc([C@@H]2CN(C(=O)[C@@H](CNC(=O)[O-])c3ccccc3)CCO2)[nH]1 ZINC000826953217 603077686 /nfs/dbraw/zinc/07/76/86/603077686.db2.gz GFPFKFFNKUGPLE-GJZGRUSLSA-N -1 1 387.440 1.709 20 0 GDADMM CCCc1n[nH]c([C@@H]2CN(C(=O)[C@@H](CNC(=O)[O-])c3ccccc3)CCO2)n1 ZINC000826953217 603077690 /nfs/dbraw/zinc/07/76/90/603077690.db2.gz GFPFKFFNKUGPLE-GJZGRUSLSA-N -1 1 387.440 1.709 20 0 GDADMM Cc1ccc2c(c1)c(=O)n(C)c1nnc(CN[C@](C)(CNC(=O)[O-])C(C)C)n12 ZINC000740153814 603081175 /nfs/dbraw/zinc/08/11/75/603081175.db2.gz NSFORLHEJYBNNC-LJQANCHMSA-N -1 1 386.456 1.662 20 0 GDADMM CN(C(N)=O)c1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000825834453 607606409 /nfs/dbraw/zinc/60/64/09/607606409.db2.gz VOZTWWWXCRQQMI-UHFFFAOYSA-N -1 1 392.372 1.288 20 0 GDADMM CN(C(N)=O)c1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000825834453 607606411 /nfs/dbraw/zinc/60/64/11/607606411.db2.gz VOZTWWWXCRQQMI-UHFFFAOYSA-N -1 1 392.372 1.288 20 0 GDADMM Cc1ccc2c(=O)c(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)cn(C)c2n1 ZINC000826293457 607608052 /nfs/dbraw/zinc/60/80/52/607608052.db2.gz PVRVXSNWRBPINL-UHFFFAOYSA-N -1 1 377.364 1.174 20 0 GDADMM Cc1ccc2c(=O)c(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)cn(C)c2n1 ZINC000826293457 607608053 /nfs/dbraw/zinc/60/80/53/607608053.db2.gz PVRVXSNWRBPINL-UHFFFAOYSA-N -1 1 377.364 1.174 20 0 GDADMM CCN(CC)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825399138 607612741 /nfs/dbraw/zinc/61/27/41/607612741.db2.gz KGTDOINTOONZKF-LBPRGKRZSA-N -1 1 396.448 1.027 20 0 GDADMM CCN(CC)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825399138 607612742 /nfs/dbraw/zinc/61/27/42/607612742.db2.gz KGTDOINTOONZKF-LBPRGKRZSA-N -1 1 396.448 1.027 20 0 GDADMM C[C@@]1(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CCOC1 ZINC000824823051 607614650 /nfs/dbraw/zinc/61/46/50/607614650.db2.gz KEVXDLBCFWDPBA-ZDUSSCGKSA-N -1 1 391.375 1.590 20 0 GDADMM CCc1ncc(NC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)cn1 ZINC000825749411 607614954 /nfs/dbraw/zinc/61/49/54/607614954.db2.gz DRBNJMDBNPEPNY-UHFFFAOYSA-N -1 1 392.427 1.450 20 0 GDADMM CCc1ncc(NC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)cn1 ZINC000825749411 607614956 /nfs/dbraw/zinc/61/49/56/607614956.db2.gz DRBNJMDBNPEPNY-UHFFFAOYSA-N -1 1 392.427 1.450 20 0 GDADMM CN1CCN(c2cc(CNC(=O)[C@@H]3CCC[C@H](NC(=O)[O-])C3)ccn2)CC1 ZINC000739735652 603241369 /nfs/dbraw/zinc/24/13/69/603241369.db2.gz BUMBXOYYDZUQDX-CVEARBPZSA-N -1 1 375.473 1.276 20 0 GDADMM CN(CCCNC(=O)[O-])CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000739675475 603254012 /nfs/dbraw/zinc/25/40/12/603254012.db2.gz FIIJUOQQYUACFA-HNNXBMFYSA-N -1 1 377.441 1.711 20 0 GDADMM COC(=O)[C@@](C)(NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)C1CC1 ZINC000826098415 607619496 /nfs/dbraw/zinc/61/94/96/607619496.db2.gz DRNFNEJNPMCLAD-AWEZNQCLSA-N -1 1 385.833 1.140 20 0 GDADMM COC(=O)[C@@](C)(NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)C1CC1 ZINC000826098415 607619497 /nfs/dbraw/zinc/61/94/97/607619497.db2.gz DRNFNEJNPMCLAD-AWEZNQCLSA-N -1 1 385.833 1.140 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCc2ccc(O)cc2CC1 ZINC000826496291 607629070 /nfs/dbraw/zinc/62/90/70/607629070.db2.gz RBGKEOCTIDPTSP-UHFFFAOYSA-N -1 1 389.412 1.501 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCc2ccc(O)cc2CC1 ZINC000826496291 607629071 /nfs/dbraw/zinc/62/90/71/607629071.db2.gz RBGKEOCTIDPTSP-UHFFFAOYSA-N -1 1 389.412 1.501 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N(CCO)Cc1cccnc1 ZINC000826495011 607633055 /nfs/dbraw/zinc/63/30/55/607633055.db2.gz ZBNYTGGMIMUWMZ-UHFFFAOYSA-N -1 1 394.844 1.098 20 0 GDADMM C[C@](O)(CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000824669477 607633393 /nfs/dbraw/zinc/63/33/93/607633393.db2.gz CGJMTRALXAHUQH-INIZCTEOSA-N -1 1 377.401 1.192 20 0 GDADMM CCCc1nnc([C@H]2CN(C(=O)N[C@@H](CNC(=O)[O-])CC(C)C)CCO2)[nH]1 ZINC000826953994 603526335 /nfs/dbraw/zinc/52/63/35/603526335.db2.gz NLPVPDKKYWUBQV-CHWSQXEVSA-N -1 1 382.465 1.522 20 0 GDADMM CCCc1n[nH]c([C@H]2CN(C(=O)N[C@@H](CNC(=O)[O-])CC(C)C)CCO2)n1 ZINC000826953994 603526339 /nfs/dbraw/zinc/52/63/39/603526339.db2.gz NLPVPDKKYWUBQV-CHWSQXEVSA-N -1 1 382.465 1.522 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC[C@H]2CCCn3ccnc32)cc1-c1nn[n-]n1 ZINC000826229828 607636278 /nfs/dbraw/zinc/63/62/78/607636278.db2.gz SXHUOGSVPJADLC-SECBINFHSA-N -1 1 386.441 1.193 20 0 GDADMM CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N[C@H]1CCC[C@H]1CNC(=O)[O-] ZINC000828042792 603562118 /nfs/dbraw/zinc/56/21/18/603562118.db2.gz PSJHPEMSIJPAEU-JSGCOSHPSA-N -1 1 377.445 1.405 20 0 GDADMM C[C@@H]1CN(CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)C[C@@H](C)N1C(=O)[O-] ZINC000826059716 603564125 /nfs/dbraw/zinc/56/41/25/603564125.db2.gz YZVYFVZUVOFNOK-GHMZBOCLSA-N -1 1 382.848 1.840 20 0 GDADMM CCC(CC)n1ccc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)n1 ZINC000825114914 607640169 /nfs/dbraw/zinc/64/01/69/607640169.db2.gz RJQLXXYWSZVXBK-CQSZACIVSA-N -1 1 396.503 1.925 20 0 GDADMM CCC(CC)n1ccc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)n1 ZINC000825114914 607640171 /nfs/dbraw/zinc/64/01/71/607640171.db2.gz RJQLXXYWSZVXBK-CQSZACIVSA-N -1 1 396.503 1.925 20 0 GDADMM CC(C)[C@H](CNC(=O)N(C)C1CCC(NC(=O)[O-])CC1)N1CCN(C)CC1 ZINC000824110643 603618263 /nfs/dbraw/zinc/61/82/63/603618263.db2.gz NKNHEQOMJLTNIY-JCYILVPMSA-N -1 1 383.537 1.479 20 0 GDADMM C[C@@H](O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824706772 607643149 /nfs/dbraw/zinc/64/31/49/607643149.db2.gz JHRVYTZCJAXADI-GFCCVEGCSA-N -1 1 391.428 1.578 20 0 GDADMM COc1ccnc(N2CCN(C(=O)N[C@H](CNC(=O)[O-])CC(C)C)CC2)c1 ZINC000829650220 603666836 /nfs/dbraw/zinc/66/68/36/603666836.db2.gz PZDVBECCEMPDNR-AWEZNQCLSA-N -1 1 379.461 1.604 20 0 GDADMM C[C@H]1CCCN(C(=O)CCNC(=O)c2n[nH]c3ccccc32)[C@@H]1CNC(=O)[O-] ZINC000825906898 603685067 /nfs/dbraw/zinc/68/50/67/603685067.db2.gz UUUVRCORRDSKHD-SWLSCSKDSA-N -1 1 387.440 1.578 20 0 GDADMM C[C@H]1CCCN(C(=O)CCN2CCN(c3ccccn3)CC2)[C@@H]1CNC(=O)[O-] ZINC000825904114 603686183 /nfs/dbraw/zinc/68/61/83/603686183.db2.gz BNNBPIJOXVOBKW-DLBZAZTESA-N -1 1 389.500 1.488 20 0 GDADMM CN(C(=O)[O-])[C@@H]1CCCN(C(=O)CCN2CCN(c3ccccn3)CC2)C1 ZINC000827815553 603732867 /nfs/dbraw/zinc/73/28/67/603732867.db2.gz AWUUWBOOXLVMKJ-MRXNPFEDSA-N -1 1 375.473 1.195 20 0 GDADMM C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)[C@@H]1CCOC1 ZINC000824640429 607648439 /nfs/dbraw/zinc/64/84/39/607648439.db2.gz IMCFQYGDCHNUBY-DTWKUNHWSA-N -1 1 391.375 1.589 20 0 GDADMM COc1cccc([C@H](CNC(=O)COC2CN(C(=O)[O-])C2)N2CCCC2)c1 ZINC000829544024 603741054 /nfs/dbraw/zinc/74/10/54/603741054.db2.gz RFCXUOVCTIGEPA-KRWDZBQOSA-N -1 1 377.441 1.327 20 0 GDADMM CCc1nc([C@H]2CCCN2S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)no1 ZINC000825746228 607652921 /nfs/dbraw/zinc/65/29/21/607652921.db2.gz TYCNMZHZFKTLJL-SNVBAGLBSA-N -1 1 393.404 1.477 20 0 GDADMM CCc1nc([C@H]2CCCN2S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)no1 ZINC000825746228 607652922 /nfs/dbraw/zinc/65/29/22/607652922.db2.gz TYCNMZHZFKTLJL-SNVBAGLBSA-N -1 1 393.404 1.477 20 0 GDADMM CCc1cnc(CCNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)s1 ZINC000825735359 607653224 /nfs/dbraw/zinc/65/32/24/607653224.db2.gz RHXJIIWUELZBIH-UHFFFAOYSA-N -1 1 382.446 1.546 20 0 GDADMM CCc1cnc(CCNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)s1 ZINC000825735359 607653226 /nfs/dbraw/zinc/65/32/26/607653226.db2.gz RHXJIIWUELZBIH-UHFFFAOYSA-N -1 1 382.446 1.546 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000826494885 607653580 /nfs/dbraw/zinc/65/35/80/607653580.db2.gz TZQKZEVKWVTIMM-NSHDSACASA-N -1 1 397.766 1.208 20 0 GDADMM Cc1nc(CN2CCN(C(=O)CC3C[C@H]4CC[C@@H](C3)N4C(=O)[O-])CC2)n[nH]1 ZINC000830752649 603900885 /nfs/dbraw/zinc/90/08/85/603900885.db2.gz ZNWWDMJUBSXQKM-GOOCMWNKSA-N -1 1 376.461 1.068 20 0 GDADMM CC(C)[C@@H](CNC(=O)N1CCO[C@H](c2nc(C(C)(C)C)n[nH]2)C1)NC(=O)[O-] ZINC000824118245 604002967 /nfs/dbraw/zinc/00/29/67/604002967.db2.gz UAOUEEPEFRLOEA-NEPJUHHUSA-N -1 1 382.465 1.477 20 0 GDADMM CC(C)[C@@H](CNC(=O)N1CCO[C@H](c2nnc(C(C)(C)C)[nH]2)C1)NC(=O)[O-] ZINC000824118245 604002971 /nfs/dbraw/zinc/00/29/71/604002971.db2.gz UAOUEEPEFRLOEA-NEPJUHHUSA-N -1 1 382.465 1.477 20 0 GDADMM Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826328807 607666111 /nfs/dbraw/zinc/66/61/11/607666111.db2.gz DLUZNWUQGVYWLD-SNVBAGLBSA-N -1 1 394.848 1.233 20 0 GDADMM Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 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ZINC000825000894 607742636 /nfs/dbraw/zinc/74/26/36/607742636.db2.gz VTQAEHIUVGAQDK-GFCCVEGCSA-N -1 1 396.459 1.408 20 0 GDADMM CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC000833393352 605250490 /nfs/dbraw/zinc/25/04/90/605250490.db2.gz PWKCQAWEBXJKNG-BEFAXECRSA-N -1 1 385.464 1.958 20 0 GDADMM C[C@@H]1CN(C(=O)C2CCC(NC(=O)C3CCCC3)CC2)CCN1CCC(=O)[O-] ZINC000833617793 605276709 /nfs/dbraw/zinc/27/67/09/605276709.db2.gz HJBBDOKYGOBIPC-FAEJEUNOSA-N -1 1 393.528 1.859 20 0 GDADMM O=C([O-])N[C@@H]1CCC[C@@H]2CN(CN3C(=O)N[C@H](Cc4ccccc4)C3=O)C[C@@H]21 ZINC000834182716 605324370 /nfs/dbraw/zinc/32/43/70/605324370.db2.gz NZSOWFWAZQMTEX-YYIAUSFCSA-N -1 1 386.452 1.475 20 0 GDADMM CC(C)[C@@H](CNC(=O)N(C1CC1)[C@H]1CCN(C(=O)[O-])C1)N1CCN(C)CC1 ZINC000824111307 605373217 /nfs/dbraw/zinc/37/32/17/605373217.db2.gz SHSUPRCTXXAZKN-DLBZAZTESA-N -1 1 381.521 1.185 20 0 GDADMM O=C([O-])N1CCO[C@H](C(=O)N2CCC[C@@H](c3nnc(-c4ccccc4)[nH]3)C2)C1 ZINC000834117623 605376857 /nfs/dbraw/zinc/37/68/57/605376857.db2.gz SKMJANVXORVUOS-CABCVRRESA-N -1 1 385.424 1.557 20 0 GDADMM O=C([O-])N1CC[C@H](CCC(=O)NCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000833990621 605393043 /nfs/dbraw/zinc/39/30/43/605393043.db2.gz VUIBGXWAWAAEBD-IBGZPJMESA-N -1 1 388.512 1.701 20 0 GDADMM Cc1occc1C(=O)Nc1nc(CC(=O)NOC[C@H](C)NC(=O)[O-])cs1 ZINC000833939705 605399173 /nfs/dbraw/zinc/39/91/73/605399173.db2.gz XKBFKCFBWPLDDL-QMMMGPOBSA-N -1 1 382.398 1.543 20 0 GDADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(-c3ccncc3)c2)C1 ZINC000825205891 605498446 /nfs/dbraw/zinc/49/84/46/605498446.db2.gz ZZOLGEKWAIVFLG-CHWSQXEVSA-N -1 1 386.412 1.101 20 0 GDADMM O=C([O-])NC[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000832500575 605502321 /nfs/dbraw/zinc/50/23/21/605502321.db2.gz XLIJKYXWBYCFAW-IUODEOHRSA-N -1 1 386.412 1.148 20 0 GDADMM COc1ccc(NC(=O)C(=O)N[C@H](C)Cc2cc(C)[nH]n2)cc1NC(=O)[O-] ZINC000829434485 605504022 /nfs/dbraw/zinc/50/40/22/605504022.db2.gz NAYYQUIUIFYJGH-SECBINFHSA-N -1 1 375.385 1.503 20 0 GDADMM O=C(NC[C@H](O)[C@@H]1CCCO1)c1cc(I)ccc1[O-] ZINC000529769904 649958790 /nfs/dbraw/zinc/95/87/90/649958790.db2.gz OVCMERLGFJBPPQ-RYUDHWBXSA-N -1 1 377.178 1.267 20 0 GDADMM O=C(NCc1ccc(COC2CCOCC2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826441554 607762523 /nfs/dbraw/zinc/76/25/23/607762523.db2.gz JHAIRLRZJAVQEU-UHFFFAOYSA-N -1 1 394.435 1.887 20 0 GDADMM O=C(NCc1ccc(COC2CCOCC2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826441554 607762524 /nfs/dbraw/zinc/76/25/24/607762524.db2.gz JHAIRLRZJAVQEU-UHFFFAOYSA-N -1 1 394.435 1.887 20 0 GDADMM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)Nc2cc(O)cc(OC)c2)c1 ZINC000833714981 605596855 /nfs/dbraw/zinc/59/68/55/605596855.db2.gz MPFFQQSMHJBCDM-UHFFFAOYSA-N -1 1 381.362 1.686 20 0 GDADMM CC(C)CN1CCO[C@@H](CNC(=O)c2cnn([C@H]3CCCN(C(=O)[O-])C3)c2)C1 ZINC000833797510 605607851 /nfs/dbraw/zinc/60/78/51/605607851.db2.gz XMMCDYPXGRSKLG-IRXDYDNUSA-N -1 1 393.488 1.285 20 0 GDADMM CCN(CCNC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)C(=O)[O-] ZINC000827141650 605611818 /nfs/dbraw/zinc/61/18/18/605611818.db2.gz NZSWDRGMTZWCSH-SJORKVTESA-N -1 1 378.473 1.169 20 0 GDADMM COC(=O)c1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)[O-])CC3)cn1 ZINC000833881244 605627561 /nfs/dbraw/zinc/62/75/61/605627561.db2.gz XLVPFKQUCPESOK-UHFFFAOYSA-N -1 1 391.405 1.705 20 0 GDADMM CC(C)(CNC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)NC(=O)[O-] ZINC000823930756 605647147 /nfs/dbraw/zinc/64/71/47/605647147.db2.gz NMOGQWQGLGVJFB-HZPDHXFCSA-N -1 1 378.473 1.215 20 0 GDADMM CCCc1nnc([C@H]2CN(C(=O)C[C@@H]3CSCCN3C(=O)[O-])CCO2)[nH]1 ZINC000826954558 605664746 /nfs/dbraw/zinc/66/47/46/605664746.db2.gz RPXLADLXDVYHDX-VXGBXAGGSA-N -1 1 383.474 1.143 20 0 GDADMM CCCc1n[nH]c([C@H]2CN(C(=O)C[C@@H]3CSCCN3C(=O)[O-])CCO2)n1 ZINC000826954558 605664748 /nfs/dbraw/zinc/66/47/48/605664748.db2.gz RPXLADLXDVYHDX-VXGBXAGGSA-N -1 1 383.474 1.143 20 0 GDADMM O=C([O-])NC1(CC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CCC1 ZINC000834155707 605682763 /nfs/dbraw/zinc/68/27/63/605682763.db2.gz PIEDTBGMPHMNPN-IAGOWNOFSA-N -1 1 375.469 1.566 20 0 GDADMM O=C([O-])N(CC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO)CC1CC1 ZINC000834005216 605682785 /nfs/dbraw/zinc/68/27/85/605682785.db2.gz BMKDZVCFABYRDY-ROUUACIJSA-N -1 1 375.469 1.376 20 0 GDADMM O=C([O-])N1CC[C@]2(C1)C[C@H](NCCNC(=O)c1ccn[nH]1)c1ccccc1O2 ZINC000834041184 605810674 /nfs/dbraw/zinc/81/06/74/605810674.db2.gz JXBOGPLBWNJMLM-HNAYVOBHSA-N -1 1 385.424 1.375 20 0 GDADMM O=C([O-])N[C@@H](CNC(=O)NCC1(CN2CCOCC2)CCCCC1)C1CC1 ZINC000834143218 605849040 /nfs/dbraw/zinc/84/90/40/605849040.db2.gz DUZQUQFQAZVSJR-INIZCTEOSA-N -1 1 382.505 1.615 20 0 GDADMM C[C@@H]1C[C@@H](CNC(=O)[O-])CN1CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000833827549 605895402 /nfs/dbraw/zinc/89/54/02/605895402.db2.gz BHAZYTSATPWPGX-KEYYUXOJSA-N -1 1 379.432 1.704 20 0 GDADMM O=C([O-])N1CCC2(C[C@@H]2C(=O)N2CCC(CCN3CCOCC3)CC2)CC1 ZINC000834086311 605909864 /nfs/dbraw/zinc/90/98/64/605909864.db2.gz BYEQUQIMGAWURB-QGZVFWFLSA-N -1 1 379.501 1.727 20 0 GDADMM CC(C)CN1CCO[C@H](CNC(=O)N2CCC3(C2)CCN(C(=O)[O-])CC3)C1 ZINC000833797594 605927903 /nfs/dbraw/zinc/92/79/03/605927903.db2.gz ZPGFLISWULQXLX-MRXNPFEDSA-N -1 1 382.505 1.519 20 0 GDADMM O=C([O-])N(CC(=O)Nc1ccccc1CN1CCC(O)CC1)C[C@@H]1CCCO1 ZINC000834005153 605975204 /nfs/dbraw/zinc/97/52/04/605975204.db2.gz BACVDGXGEZMHAP-KRWDZBQOSA-N -1 1 391.468 1.741 20 0 GDADMM O=C([O-])N1CCC[C@H](OCC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)C1 ZINC000834107369 606094166 /nfs/dbraw/zinc/09/41/66/606094166.db2.gz XGYHXMAEMHZGPE-KBPBESRZSA-N -1 1 377.445 1.547 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)NCCn2cnnc2C)c1-c1nn[n-]n1 ZINC000821990544 606108191 /nfs/dbraw/zinc/10/81/91/606108191.db2.gz UICRVIQQWZIGFR-UHFFFAOYSA-N -1 1 385.457 1.191 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000820508782 606131700 /nfs/dbraw/zinc/13/17/00/606131700.db2.gz XQGHWDMWTMRCJZ-SECBINFHSA-N -1 1 398.404 1.459 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000820508782 606131702 /nfs/dbraw/zinc/13/17/02/606131702.db2.gz XQGHWDMWTMRCJZ-SECBINFHSA-N -1 1 398.404 1.459 20 0 GDADMM C[C@@H]1CCCC[C@@H]1OCCNC(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820702906 606137599 /nfs/dbraw/zinc/13/75/99/606137599.db2.gz BJYBLSVCTBMLHE-NEPJUHHUSA-N -1 1 393.469 1.797 20 0 GDADMM C[C@@H]1CCCC[C@@H]1OCCNC(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820702906 606137601 /nfs/dbraw/zinc/13/76/01/606137601.db2.gz BJYBLSVCTBMLHE-NEPJUHHUSA-N -1 1 393.469 1.797 20 0 GDADMM Cc1nn(C)c(C)c1NC(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822491946 606139670 /nfs/dbraw/zinc/13/96/70/606139670.db2.gz KPIPSINOWNETDR-VIFPVBQESA-N -1 1 375.414 1.463 20 0 GDADMM Cc1nn(C)c(C)c1NC(=O)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822491946 606139671 /nfs/dbraw/zinc/13/96/71/606139671.db2.gz KPIPSINOWNETDR-VIFPVBQESA-N -1 1 375.414 1.463 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC000822613614 606155724 /nfs/dbraw/zinc/15/57/24/606155724.db2.gz DXYLZAUUYXRKBM-SNVBAGLBSA-N -1 1 391.436 1.121 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC000822613614 606155726 /nfs/dbraw/zinc/15/57/26/606155726.db2.gz DXYLZAUUYXRKBM-SNVBAGLBSA-N -1 1 391.436 1.121 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC(COc3ccccc3)CC2)n1 ZINC000822610015 606157310 /nfs/dbraw/zinc/15/73/10/606157310.db2.gz YYSQYJPNFCTXSH-UHFFFAOYSA-N -1 1 382.428 1.923 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC(COc3ccccc3)CC2)n1 ZINC000822610015 606157312 /nfs/dbraw/zinc/15/73/12/606157312.db2.gz YYSQYJPNFCTXSH-UHFFFAOYSA-N -1 1 382.428 1.923 20 0 GDADMM Cc1cc(F)ccc1N1CCC[C@H](NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC000822205745 606158568 /nfs/dbraw/zinc/15/85/68/606158568.db2.gz HFNJHVRLMWECDW-ZDUSSCGKSA-N -1 1 399.434 1.838 20 0 GDADMM Cc1cc(F)ccc1N1CCC[C@H](NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC000822205745 606158570 /nfs/dbraw/zinc/15/85/70/606158570.db2.gz HFNJHVRLMWECDW-ZDUSSCGKSA-N -1 1 399.434 1.838 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)n1 ZINC000822613092 606159270 /nfs/dbraw/zinc/15/92/70/606159270.db2.gz ADIGNTIRYFDWEW-JTQLQIEISA-N -1 1 389.370 1.279 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)n1 ZINC000822613092 606159273 /nfs/dbraw/zinc/15/92/73/606159273.db2.gz ADIGNTIRYFDWEW-JTQLQIEISA-N -1 1 389.370 1.279 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2cccnc2OCC(F)(F)F)n1 ZINC000822620633 606163112 /nfs/dbraw/zinc/16/31/12/606163112.db2.gz ZSAXNDHOAJEQKM-UHFFFAOYSA-N -1 1 397.321 1.258 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2cccnc2OCC(F)(F)F)n1 ZINC000822620633 606163113 /nfs/dbraw/zinc/16/31/13/606163113.db2.gz ZSAXNDHOAJEQKM-UHFFFAOYSA-N -1 1 397.321 1.258 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2cccc(NC(=O)C3CCC3)c2)n1 ZINC000822620174 606167378 /nfs/dbraw/zinc/16/73/78/606167378.db2.gz KDVJGDSMDHRENQ-UHFFFAOYSA-N -1 1 395.427 1.661 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2cccc(NC(=O)C3CCC3)c2)n1 ZINC000822620174 606167380 /nfs/dbraw/zinc/16/73/80/606167380.db2.gz KDVJGDSMDHRENQ-UHFFFAOYSA-N -1 1 395.427 1.661 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccc(Br)cc2)n1 ZINC000822619847 606169468 /nfs/dbraw/zinc/16/94/68/606169468.db2.gz IANPYXGQMXVEJZ-UHFFFAOYSA-N -1 1 377.206 1.684 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccc(Br)cc2)n1 ZINC000822619847 606169469 /nfs/dbraw/zinc/16/94/69/606169469.db2.gz IANPYXGQMXVEJZ-UHFFFAOYSA-N -1 1 377.206 1.684 20 0 GDADMM CC(C)Oc1ccc([C@H](O)CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000820155664 606170489 /nfs/dbraw/zinc/17/04/89/606170489.db2.gz UIIWZKCWVYEOPJ-CQSZACIVSA-N -1 1 386.416 1.243 20 0 GDADMM CC(C)Oc1ccc([C@H](O)CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000820155664 606170491 /nfs/dbraw/zinc/17/04/91/606170491.db2.gz UIIWZKCWVYEOPJ-CQSZACIVSA-N -1 1 386.416 1.243 20 0 GDADMM CCOc1ccccc1C(=O)NCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000821431563 606194283 /nfs/dbraw/zinc/19/42/83/606194283.db2.gz VTHDOAQJQMKZCX-UHFFFAOYSA-N -1 1 382.380 1.340 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000823294788 606195426 /nfs/dbraw/zinc/19/54/26/606195426.db2.gz RIMNCKMMIXTAAP-INIZCTEOSA-N -1 1 394.391 1.942 20 0 GDADMM O=C(c1cc(F)ccc1[O-])N1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000823472190 606197425 /nfs/dbraw/zinc/19/74/25/606197425.db2.gz DAJACDLSFTXHKK-UHFFFAOYSA-N -1 1 386.362 1.813 20 0 GDADMM COC(=O)Nc1ccccc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821666001 606201855 /nfs/dbraw/zinc/20/18/55/606201855.db2.gz QASYDLXGXJQJPE-UHFFFAOYSA-N -1 1 376.354 1.208 20 0 GDADMM COC(=O)Nc1ccccc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821666001 606201857 /nfs/dbraw/zinc/20/18/57/606201857.db2.gz QASYDLXGXJQJPE-UHFFFAOYSA-N -1 1 376.354 1.208 20 0 GDADMM Cc1c(CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])nnn1-c1ccc(C)cc1 ZINC000822224998 606292773 /nfs/dbraw/zinc/29/27/73/606292773.db2.gz JDIOAZJKHOFQEN-UHFFFAOYSA-N -1 1 390.407 1.951 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CCCN(C)C2=O)c1-c1nn[n-]n1 ZINC000821988241 606326782 /nfs/dbraw/zinc/32/67/82/606326782.db2.gz DHYXQWYOCCNHCG-LLVKDONJSA-N -1 1 387.469 1.212 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CCCc3c2cnn3C(C)(C)C)n1 ZINC000822614027 606345515 /nfs/dbraw/zinc/34/55/15/606345515.db2.gz IHSVFBYJFLHYAM-GFCCVEGCSA-N -1 1 384.448 1.751 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CCCc3c2cnn3C(C)(C)C)n1 ZINC000822614027 606345516 /nfs/dbraw/zinc/34/55/16/606345516.db2.gz IHSVFBYJFLHYAM-GFCCVEGCSA-N -1 1 384.448 1.751 20 0 GDADMM COCCOC(=O)C1=C(C)N(C)C(=O)N(C)[C@@H]1c1ccc(-c2nn[n-]n2)s1 ZINC000821691012 606393809 /nfs/dbraw/zinc/39/38/09/606393809.db2.gz FFBIILQYGYWXFL-CYBMUJFWSA-N -1 1 392.441 1.430 20 0 GDADMM COCCN1C(=O)N[C@H](c2ccc(-c3nn[n-]n3)s2)C(C(=O)OC)=C1C ZINC000821690725 606393962 /nfs/dbraw/zinc/39/39/62/606393962.db2.gz XICVOSBIOXOMQQ-GFCCVEGCSA-N -1 1 378.414 1.088 20 0 GDADMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2cc(F)cc(Br)c2)c1=O ZINC000821565210 606399139 /nfs/dbraw/zinc/39/91/39/606399139.db2.gz IWIRYTYHTCEVTA-UHFFFAOYSA-N -1 1 395.192 1.160 20 0 GDADMM CC(=O)c1ccc2cc(Oc3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)ccc2c1 ZINC000819834094 606402249 /nfs/dbraw/zinc/40/22/49/606402249.db2.gz LRSQBBKNQYBFCM-UHFFFAOYSA-N -1 1 392.375 1.412 20 0 GDADMM O=C1C[C@H](Nc2nccnc2-c2nnn[n-]2)CN1c1cccc(C(F)(F)F)c1 ZINC000823521760 606428077 /nfs/dbraw/zinc/42/80/77/606428077.db2.gz ZYYCFBVFTVQJIP-JTQLQIEISA-N -1 1 390.329 1.893 20 0 GDADMM O=C1C[C@H](Nc2nccnc2-c2nn[n-]n2)CN1c1cccc(C(F)(F)F)c1 ZINC000823521760 606428078 /nfs/dbraw/zinc/42/80/78/606428078.db2.gz ZYYCFBVFTVQJIP-JTQLQIEISA-N -1 1 390.329 1.893 20 0 GDADMM CS(=O)(=O)NC[C@H]1CCCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1 ZINC000821936594 606454065 /nfs/dbraw/zinc/45/40/65/606454065.db2.gz CAGNKFNEGWXUEE-GFCCVEGCSA-N -1 1 387.469 1.181 20 0 GDADMM CS(=O)(=O)NC[C@H]1CCCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1 ZINC000821936594 606454067 /nfs/dbraw/zinc/45/40/67/606454067.db2.gz CAGNKFNEGWXUEE-GFCCVEGCSA-N -1 1 387.469 1.181 20 0 GDADMM CC(C)S(=O)(=O)N1CC[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC000820770145 606472874 /nfs/dbraw/zinc/47/28/74/606472874.db2.gz YYSJSQPPIBRNON-JQWIXIFHSA-N -1 1 399.908 1.776 20 0 GDADMM CC(C)S(=O)(=O)N1CC[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC000820770145 606472875 /nfs/dbraw/zinc/47/28/75/606472875.db2.gz YYSJSQPPIBRNON-JQWIXIFHSA-N -1 1 399.908 1.776 20 0 GDADMM O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)c1ccc(-c2nn[n-]n2)s1 ZINC000823183334 606493149 /nfs/dbraw/zinc/49/31/49/606493149.db2.gz UXYAJIMNDKZMLQ-CQSZACIVSA-N -1 1 384.465 1.559 20 0 GDADMM O=C(Cc1ccccc1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000823115149 606512191 /nfs/dbraw/zinc/51/21/91/606512191.db2.gz LNKOPVMKWQZTOY-UHFFFAOYSA-N -1 1 382.449 1.455 20 0 GDADMM O=C(Cc1ccccc1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000823115149 606512192 /nfs/dbraw/zinc/51/21/92/606512192.db2.gz LNKOPVMKWQZTOY-UHFFFAOYSA-N -1 1 382.449 1.455 20 0 GDADMM Cc1oc(-c2cnn(C)c2)nc1C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000822535465 606524405 /nfs/dbraw/zinc/52/44/05/606524405.db2.gz SFCMASQBPZCPTB-UHFFFAOYSA-N -1 1 396.415 1.767 20 0 GDADMM Cc1oc(-c2cnn(C)c2)nc1C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000822535465 606524406 /nfs/dbraw/zinc/52/44/06/606524406.db2.gz SFCMASQBPZCPTB-UHFFFAOYSA-N -1 1 396.415 1.767 20 0 GDADMM CCc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1S(N)(=O)=O ZINC000821487826 606536102 /nfs/dbraw/zinc/53/61/02/606536102.db2.gz YPHNIXIUUIWNQR-UHFFFAOYSA-N -1 1 378.439 1.390 20 0 GDADMM CCc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1S(N)(=O)=O ZINC000821487826 606536104 /nfs/dbraw/zinc/53/61/04/606536104.db2.gz YPHNIXIUUIWNQR-UHFFFAOYSA-N -1 1 378.439 1.390 20 0 GDADMM CCOCCCNC(=O)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000821378168 606559652 /nfs/dbraw/zinc/55/96/52/606559652.db2.gz KHECZLGMOUHGNQ-UHFFFAOYSA-N -1 1 392.485 1.323 20 0 GDADMM CCOCCCNC(=O)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000821378168 606559653 /nfs/dbraw/zinc/55/96/53/606559653.db2.gz KHECZLGMOUHGNQ-UHFFFAOYSA-N -1 1 392.485 1.323 20 0 GDADMM COC(=O)c1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c(OC)c(OC)c1 ZINC000821668109 606573213 /nfs/dbraw/zinc/57/32/13/606573213.db2.gz PAXNRJRGUYSHMR-UHFFFAOYSA-N -1 1 389.393 1.984 20 0 GDADMM COC(=O)c1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c(OC)c(OC)c1 ZINC000821668109 606573215 /nfs/dbraw/zinc/57/32/15/606573215.db2.gz PAXNRJRGUYSHMR-UHFFFAOYSA-N -1 1 389.393 1.984 20 0 GDADMM CN(C)C(=O)c1cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)ccc1F ZINC000821578338 606590985 /nfs/dbraw/zinc/59/09/85/606590985.db2.gz YXWCRRIREJQDCP-UHFFFAOYSA-N -1 1 390.400 1.508 20 0 GDADMM Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)OCCN1CCSCC1 ZINC000822010105 606632727 /nfs/dbraw/zinc/63/27/27/606632727.db2.gz NPHMKLYDCUKVOW-UHFFFAOYSA-N -1 1 392.485 1.109 20 0 GDADMM Cc1ccc(CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)c(OC(C)(C)C)c1 ZINC000822238758 606633433 /nfs/dbraw/zinc/63/34/33/606633433.db2.gz SSZRKZORAFOXIY-UHFFFAOYSA-N -1 1 399.455 1.362 20 0 GDADMM Cc1nn(-c2ccccc2)c(Cn2cc(Cl)c(=O)[nH]c2=O)c1-c1nn[n-]n1 ZINC000822486216 606638039 /nfs/dbraw/zinc/63/80/39/606638039.db2.gz BOXGQSRNCPSOFK-UHFFFAOYSA-N -1 1 384.787 1.325 20 0 GDADMM CC(C)[C@H](NC(=O)c1cccs1)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820027035 606646817 /nfs/dbraw/zinc/64/68/17/606646817.db2.gz PVOWHUUCMBLISP-AWEZNQCLSA-N -1 1 386.437 1.821 20 0 GDADMM CC(C)[C@H](NC(=O)c1cccs1)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820027035 606646818 /nfs/dbraw/zinc/64/68/18/606646818.db2.gz PVOWHUUCMBLISP-AWEZNQCLSA-N -1 1 386.437 1.821 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)C1(S(=O)(=O)c2ccccc2)CC1 ZINC000823431247 606647720 /nfs/dbraw/zinc/64/77/20/606647720.db2.gz NVPSSFKTJMHLPO-UHFFFAOYSA-N -1 1 385.405 1.311 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)C1(S(=O)(=O)c2ccccc2)CC1 ZINC000823431247 606647721 /nfs/dbraw/zinc/64/77/21/606647721.db2.gz NVPSSFKTJMHLPO-UHFFFAOYSA-N -1 1 385.405 1.311 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000823436198 606653979 /nfs/dbraw/zinc/65/39/79/606653979.db2.gz LUTWPIXGDJCPQZ-UHFFFAOYSA-N -1 1 395.347 1.615 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000823436198 606653980 /nfs/dbraw/zinc/65/39/80/606653980.db2.gz LUTWPIXGDJCPQZ-UHFFFAOYSA-N -1 1 395.347 1.615 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCO[C@H](c2cccs2)C1 ZINC000823606759 606738766 /nfs/dbraw/zinc/73/87/66/606738766.db2.gz LLQLBGAEABLUMX-NSHDSACASA-N -1 1 395.441 1.830 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCO[C@H](c2cccs2)C1 ZINC000823606759 606738767 /nfs/dbraw/zinc/73/87/67/606738767.db2.gz LLQLBGAEABLUMX-NSHDSACASA-N -1 1 395.441 1.830 20 0 GDADMM CCNC(=O)N1CC[C@H](NC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)C1 ZINC000821286378 606744148 /nfs/dbraw/zinc/74/41/48/606744148.db2.gz RJIJZAAQNWLILW-LBPRGKRZSA-N -1 1 398.427 1.092 20 0 GDADMM CCNC(=O)N1CC[C@H](NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)C1 ZINC000821286378 606744151 /nfs/dbraw/zinc/74/41/51/606744151.db2.gz RJIJZAAQNWLILW-LBPRGKRZSA-N -1 1 398.427 1.092 20 0 GDADMM Cc1ccc(NS(=O)(=O)c2ccc(F)cc2-c2nn[nH]n2)cc1C(=O)[O-] ZINC000822259175 606765235 /nfs/dbraw/zinc/76/52/35/606765235.db2.gz OPDVWEKNPDGGJE-UHFFFAOYSA-N -1 1 377.357 1.813 20 0 GDADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1cn(-c2ccccc2)nn1 ZINC000820380334 606771318 /nfs/dbraw/zinc/77/13/18/606771318.db2.gz QJXJZDDVANJJMZ-JTQLQIEISA-N -1 1 379.388 1.064 20 0 GDADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1cn(-c2ccccc2)nn1 ZINC000820380334 606771319 /nfs/dbraw/zinc/77/13/19/606771319.db2.gz QJXJZDDVANJJMZ-JTQLQIEISA-N -1 1 379.388 1.064 20 0 GDADMM CC[C@@H]1CC[C@@H](C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)O1 ZINC000820971978 606785066 /nfs/dbraw/zinc/78/50/66/606785066.db2.gz IZJIAHUDRPTSLY-OLZOCXBDSA-N -1 1 387.444 1.338 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCCC(C)(C)C ZINC000820788245 606792559 /nfs/dbraw/zinc/79/25/59/606792559.db2.gz BQFZNFWDAFBTEF-CYBMUJFWSA-N -1 1 387.492 1.703 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCCC(C)(C)C ZINC000820788245 606792561 /nfs/dbraw/zinc/79/25/61/606792561.db2.gz BQFZNFWDAFBTEF-CYBMUJFWSA-N -1 1 387.492 1.703 20 0 GDADMM CC(C)C1(CNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)CC1 ZINC000820788619 606794126 /nfs/dbraw/zinc/79/41/26/606794126.db2.gz KUEHIQIQRJDXND-CYBMUJFWSA-N -1 1 385.476 1.313 20 0 GDADMM CC(C)C1(CNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)CC1 ZINC000820788619 606794127 /nfs/dbraw/zinc/79/41/27/606794127.db2.gz KUEHIQIQRJDXND-CYBMUJFWSA-N -1 1 385.476 1.313 20 0 GDADMM CC(C)CC1(CNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)CC1 ZINC000820062399 606797070 /nfs/dbraw/zinc/79/70/70/606797070.db2.gz LOFHZYBZIGEZOD-CQSZACIVSA-N -1 1 399.503 1.703 20 0 GDADMM CC(C)CC1(CNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)CC1 ZINC000820062399 606797071 /nfs/dbraw/zinc/79/70/71/606797071.db2.gz LOFHZYBZIGEZOD-CQSZACIVSA-N -1 1 399.503 1.703 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC[C@@]2(C)CCCC[C@@H]2O)cc1-c1nn[n-]n1 ZINC000821979522 606817537 /nfs/dbraw/zinc/81/75/37/606817537.db2.gz SNTUHYMDTZFAOY-MEDUHNTESA-N -1 1 378.458 1.360 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc2ccccc2o1 ZINC000820788448 606820023 /nfs/dbraw/zinc/82/00/23/606820023.db2.gz HDURJOOLKRCRHJ-LBPRGKRZSA-N -1 1 390.407 1.754 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc2ccccc2o1 ZINC000820788448 606820024 /nfs/dbraw/zinc/82/00/24/606820024.db2.gz HDURJOOLKRCRHJ-LBPRGKRZSA-N -1 1 390.407 1.754 20 0 GDADMM CCCc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cc1 ZINC000821138563 606820936 /nfs/dbraw/zinc/82/09/36/606820936.db2.gz BILILEMCEYKMKN-CQSZACIVSA-N -1 1 392.467 1.960 20 0 GDADMM CCCc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cc1 ZINC000821138563 606820938 /nfs/dbraw/zinc/82/09/38/606820938.db2.gz BILILEMCEYKMKN-CQSZACIVSA-N -1 1 392.467 1.960 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)Cc1ccc(F)cc1 ZINC000820774496 606821345 /nfs/dbraw/zinc/82/13/45/606821345.db2.gz DRUUTIQCLLCZBS-LBPRGKRZSA-N -1 1 382.403 1.076 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)Cc1ccc(F)cc1 ZINC000820774496 606821347 /nfs/dbraw/zinc/82/13/47/606821347.db2.gz DRUUTIQCLLCZBS-LBPRGKRZSA-N -1 1 382.403 1.076 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@H]1CCc2ccccc21 ZINC000820775782 606823172 /nfs/dbraw/zinc/82/31/72/606823172.db2.gz JEMCKHWKXIQFFC-CJNGLKHVSA-N -1 1 390.451 1.424 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@H]1CCc2ccccc21 ZINC000820775782 606823174 /nfs/dbraw/zinc/82/31/74/606823174.db2.gz JEMCKHWKXIQFFC-CJNGLKHVSA-N -1 1 390.451 1.424 20 0 GDADMM CCc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)s1 ZINC000821476908 606823830 /nfs/dbraw/zinc/82/38/30/606823830.db2.gz UPFNMEGHXAHWDD-LLVKDONJSA-N -1 1 384.469 1.632 20 0 GDADMM CCc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)s1 ZINC000821476908 606823832 /nfs/dbraw/zinc/82/38/32/606823832.db2.gz UPFNMEGHXAHWDD-LLVKDONJSA-N -1 1 384.469 1.632 20 0 GDADMM CCCCS[C@H](C)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821077623 606823861 /nfs/dbraw/zinc/82/38/61/606823861.db2.gz NWBLWLSOXMGUAT-CHWSQXEVSA-N -1 1 390.517 1.616 20 0 GDADMM CCCCS[C@H](C)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821077623 606823863 /nfs/dbraw/zinc/82/38/63/606823863.db2.gz NWBLWLSOXMGUAT-CHWSQXEVSA-N -1 1 390.517 1.616 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N1CCc2ccccc21 ZINC000820789258 606831421 /nfs/dbraw/zinc/83/14/21/606831421.db2.gz YXJSWLLEAHHYBI-ZDUSSCGKSA-N -1 1 391.439 1.350 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N1CCc2ccccc21 ZINC000820789258 606831423 /nfs/dbraw/zinc/83/14/23/606831423.db2.gz YXJSWLLEAHHYBI-ZDUSSCGKSA-N -1 1 391.439 1.350 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCCC2(CCOCC2)C1 ZINC000823607671 606845668 /nfs/dbraw/zinc/84/56/68/606845668.db2.gz VZHWJXDIUDGFRB-UHFFFAOYSA-N -1 1 381.433 1.587 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000823601118 606847282 /nfs/dbraw/zinc/84/72/82/606847282.db2.gz RSKWXAZJNWHORI-STQMWFEESA-N -1 1 399.860 1.089 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C1(C(F)(F)F)CC1 ZINC000820777164 606855171 /nfs/dbraw/zinc/85/51/71/606855171.db2.gz QBHLLXJGNMNCMJ-VIFPVBQESA-N -1 1 382.350 1.036 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C1(C(F)(F)F)CC1 ZINC000820777164 606855173 /nfs/dbraw/zinc/85/51/73/606855173.db2.gz QBHLLXJGNMNCMJ-VIFPVBQESA-N -1 1 382.350 1.036 20 0 GDADMM Cc1cccc(C)c1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000822293870 606855427 /nfs/dbraw/zinc/85/54/27/606855427.db2.gz PIGDGHLCNFJABR-CQSZACIVSA-N -1 1 378.440 1.624 20 0 GDADMM Cc1cccc(C)c1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000822293870 606855429 /nfs/dbraw/zinc/85/54/29/606855429.db2.gz PIGDGHLCNFJABR-CQSZACIVSA-N -1 1 378.440 1.624 20 0 GDADMM C[C@@H]1N(CC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)CCOC1(C)C ZINC000820819334 606931477 /nfs/dbraw/zinc/93/14/77/606931477.db2.gz HOSOWYINTTUBRM-ZDUSSCGKSA-N -1 1 396.455 1.490 20 0 GDADMM C[C@@H]1N(CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)CCOC1(C)C ZINC000820819334 606931478 /nfs/dbraw/zinc/93/14/78/606931478.db2.gz HOSOWYINTTUBRM-ZDUSSCGKSA-N -1 1 396.455 1.490 20 0 GDADMM COc1cc(F)c(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1F ZINC000821720172 606956815 /nfs/dbraw/zinc/95/68/15/606956815.db2.gz OJQONNCGAVKYRM-UHFFFAOYSA-N -1 1 393.358 1.213 20 0 GDADMM COc1cc(F)c(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1F ZINC000821720172 606956818 /nfs/dbraw/zinc/95/68/18/606956818.db2.gz OJQONNCGAVKYRM-UHFFFAOYSA-N -1 1 393.358 1.213 20 0 GDADMM COc1cc(CCC(=O)Nc2ncc(-c3nnn[n-]3)s2)cc(OC)c1OC ZINC000821712967 607024155 /nfs/dbraw/zinc/02/41/55/607024155.db2.gz PHSKYINQWZDLIV-UHFFFAOYSA-N -1 1 390.425 1.920 20 0 GDADMM COc1cc(CCC(=O)Nc2ncc(-c3nn[n-]n3)s2)cc(OC)c1OC ZINC000821712967 607024157 /nfs/dbraw/zinc/02/41/57/607024157.db2.gz PHSKYINQWZDLIV-UHFFFAOYSA-N -1 1 390.425 1.920 20 0 GDADMM C[C@@]1([C@@H]2CCCN(c3cc(-c4nnn[n-]4)nc4ccccc43)C2)NC(=O)NC1=O ZINC000820613061 607028907 /nfs/dbraw/zinc/02/89/07/607028907.db2.gz REMAMRWCMPMVCE-WYRIXSBYSA-N -1 1 392.423 1.229 20 0 GDADMM C[C@@]1([C@@H]2CCCN(c3cc(-c4nn[n-]n4)nc4ccccc43)C2)NC(=O)NC1=O ZINC000820613061 607028909 /nfs/dbraw/zinc/02/89/09/607028909.db2.gz REMAMRWCMPMVCE-WYRIXSBYSA-N -1 1 392.423 1.229 20 0 GDADMM CCc1ccccc1N1C[C@@H](C(=O)Nc2ncc(-c3nnn[n-]3)s2)CC1=O ZINC000821497723 607104677 /nfs/dbraw/zinc/10/46/77/607104677.db2.gz YIXZNQVURDPRCT-NSHDSACASA-N -1 1 383.437 1.877 20 0 GDADMM CCc1ccccc1N1C[C@@H](C(=O)Nc2ncc(-c3nn[n-]n3)s2)CC1=O ZINC000821497723 607104678 /nfs/dbraw/zinc/10/46/78/607104678.db2.gz YIXZNQVURDPRCT-NSHDSACASA-N -1 1 383.437 1.877 20 0 GDADMM C[C@H](C(=O)Nc1ncc(-c2nnn[n-]2)s1)S(=O)(=O)c1ccc(F)cc1 ZINC000819875676 607107772 /nfs/dbraw/zinc/10/77/72/607107772.db2.gz BLYXMRXXZHGXQH-SSDOTTSWSA-N -1 1 382.402 1.263 20 0 GDADMM C[C@H](C(=O)Nc1ncc(-c2nn[n-]n2)s1)S(=O)(=O)c1ccc(F)cc1 ZINC000819875676 607107773 /nfs/dbraw/zinc/10/77/73/607107773.db2.gz BLYXMRXXZHGXQH-SSDOTTSWSA-N -1 1 382.402 1.263 20 0 GDADMM O=C(CSc1ccc2c(c1)OCCO2)Nc1ncc(-c2nnn[n-]2)s1 ZINC000823070891 607108548 /nfs/dbraw/zinc/10/85/48/607108548.db2.gz UDCPZSBVIRKBMU-UHFFFAOYSA-N -1 1 376.423 1.825 20 0 GDADMM O=C(CSc1ccc2c(c1)OCCO2)Nc1ncc(-c2nn[n-]n2)s1 ZINC000823070891 607108550 /nfs/dbraw/zinc/10/85/50/607108550.db2.gz UDCPZSBVIRKBMU-UHFFFAOYSA-N -1 1 376.423 1.825 20 0 GDADMM Cc1oc(NC(=O)COC(=O)c2c3c(nn2C)CCCC3)c(-c2nn[n-]n2)c1C ZINC000822548143 607116911 /nfs/dbraw/zinc/11/69/11/607116911.db2.gz GDHJHISTFWHKIB-UHFFFAOYSA-N -1 1 399.411 1.484 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCCCCS(C)(=O)=O ZINC000822542198 607132117 /nfs/dbraw/zinc/13/21/17/607132117.db2.gz VAYJYBKBHQLRCL-UHFFFAOYSA-N -1 1 393.425 1.540 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCCCCS(C)(=O)=O ZINC000822542198 607132119 /nfs/dbraw/zinc/13/21/19/607132119.db2.gz VAYJYBKBHQLRCL-UHFFFAOYSA-N -1 1 393.425 1.540 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC(C)(C)CNC(=O)OC(C)(C)C)n1 ZINC000822608782 607138071 /nfs/dbraw/zinc/13/80/71/607138071.db2.gz HTALITMNGNBOOT-UHFFFAOYSA-N -1 1 379.425 1.025 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC(C)(C)CNC(=O)OC(C)(C)C)n1 ZINC000822608782 607138072 /nfs/dbraw/zinc/13/80/72/607138072.db2.gz HTALITMNGNBOOT-UHFFFAOYSA-N -1 1 379.425 1.025 20 0 GDADMM CCc1nn(Cc2noc(-c3ccccc3C)n2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000821517728 607157376 /nfs/dbraw/zinc/15/73/76/607157376.db2.gz NQZFNGZGXDHRHS-UHFFFAOYSA-N -1 1 392.423 1.955 20 0 GDADMM Cc1cccc([C@H](O)CNC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)c1 ZINC000822289203 607163164 /nfs/dbraw/zinc/16/31/64/607163164.db2.gz UQZQSHGCSQOGGN-MRXNPFEDSA-N -1 1 396.451 1.675 20 0 GDADMM COc1ccc(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)cc1CO ZINC000821831714 607191959 /nfs/dbraw/zinc/19/19/59/607191959.db2.gz KGLDGAJBWRIXOP-UHFFFAOYSA-N -1 1 398.423 1.656 20 0 GDADMM CC(C)Oc1ccc(CC[C@@H](C)NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000820254209 607208551 /nfs/dbraw/zinc/20/85/51/607208551.db2.gz NRNWJRFNQMCGDE-CYBMUJFWSA-N -1 1 384.444 1.383 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000823131770 607209379 /nfs/dbraw/zinc/20/93/79/607209379.db2.gz NSYXKHCTFOGUIO-UHFFFAOYSA-N -1 1 395.427 1.113 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc2[nH]c(-c3ccccn3)nc2c1 ZINC000823136300 607216329 /nfs/dbraw/zinc/21/63/29/607216329.db2.gz UODKVSILQORUHG-UHFFFAOYSA-N -1 1 387.367 1.035 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000823126034 607222517 /nfs/dbraw/zinc/22/25/17/607222517.db2.gz FZHQPNHZYDUUCP-LBPRGKRZSA-N -1 1 398.818 1.352 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1csc(CCc2ccccc2)n1 ZINC000823131146 607222676 /nfs/dbraw/zinc/22/26/76/607222676.db2.gz CHCIJSJYOJJIAH-UHFFFAOYSA-N -1 1 395.452 1.016 20 0 GDADMM CCCCn1ccnc1-c1cccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000821082994 607224228 /nfs/dbraw/zinc/22/42/28/607224228.db2.gz RMIRFGWDSJWABN-UHFFFAOYSA-N -1 1 392.427 1.761 20 0 GDADMM CO[C@H](CNS(=O)(=O)c1cc(F)c(Br)cc1F)CC(=O)[O-] ZINC000530382923 649972121 /nfs/dbraw/zinc/97/21/21/649972121.db2.gz GYPPVGZHZLWABP-LURJTMIESA-N -1 1 388.186 1.495 20 0 GDADMM C[C@H]1OCC[C@H]1SCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000825020811 607845442 /nfs/dbraw/zinc/84/54/42/607845442.db2.gz MGXLKZSVOQTHPJ-BXUZGUMPSA-N -1 1 385.453 1.902 20 0 GDADMM C[C@H]1OCC[C@H]1SCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000825020811 607845443 /nfs/dbraw/zinc/84/54/43/607845443.db2.gz MGXLKZSVOQTHPJ-BXUZGUMPSA-N -1 1 385.453 1.902 20 0 GDADMM O=C(NC[C@]1(O)CCOC1)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826434410 607862323 /nfs/dbraw/zinc/86/23/23/607862323.db2.gz MBTSUSAVILLMSN-LJQANCHMSA-N -1 1 399.382 1.679 20 0 GDADMM O=C(NC[C@]1(O)CCOC1)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826434410 607862324 /nfs/dbraw/zinc/86/23/24/607862324.db2.gz MBTSUSAVILLMSN-LJQANCHMSA-N -1 1 399.382 1.679 20 0 GDADMM COC(=O)C1(NC(=O)COc2cccc(F)c2-c2nnn[n-]2)CCCCC1 ZINC000826123492 607863616 /nfs/dbraw/zinc/86/36/16/607863616.db2.gz FFVJCUBIEAQLKQ-UHFFFAOYSA-N -1 1 377.376 1.377 20 0 GDADMM COC(=O)C1(NC(=O)COc2cccc(F)c2-c2nn[n-]n2)CCCCC1 ZINC000826123492 607863617 /nfs/dbraw/zinc/86/36/17/607863617.db2.gz FFVJCUBIEAQLKQ-UHFFFAOYSA-N -1 1 377.376 1.377 20 0 GDADMM O=c1[nH]c2ccc(S(=O)(=O)Oc3cccc(F)c3-c3nnn[n-]3)cc2[nH]1 ZINC000826501508 607868239 /nfs/dbraw/zinc/86/82/39/607868239.db2.gz TXKWQNXUVJNZRV-UHFFFAOYSA-N -1 1 376.329 1.355 20 0 GDADMM O=c1[nH]c2ccc(S(=O)(=O)Oc3cccc(F)c3-c3nn[n-]n3)cc2[nH]1 ZINC000826501508 607868240 /nfs/dbraw/zinc/86/82/40/607868240.db2.gz TXKWQNXUVJNZRV-UHFFFAOYSA-N -1 1 376.329 1.355 20 0 GDADMM CCOC(=O)c1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)o1 ZINC000825564926 607868297 /nfs/dbraw/zinc/86/82/97/607868297.db2.gz IUEVPRUHEVRELX-UHFFFAOYSA-N -1 1 382.329 1.543 20 0 GDADMM CCOC(=O)c1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)o1 ZINC000825564926 607868298 /nfs/dbraw/zinc/86/82/98/607868298.db2.gz IUEVPRUHEVRELX-UHFFFAOYSA-N -1 1 382.329 1.543 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@H](C)[C@@H]2COc3ccccc32)cc1-c1nn[n-]n1 ZINC000826229985 607870247 /nfs/dbraw/zinc/87/02/47/607870247.db2.gz ZGNFGIUHPSYXGM-RNCFNFMXSA-N -1 1 398.448 1.984 20 0 GDADMM COc1cccc(OC)c1OC[C@H](O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000826217327 607874893 /nfs/dbraw/zinc/87/48/93/607874893.db2.gz ICHISUGHZDTHOS-LLVKDONJSA-N -1 1 390.371 1.842 20 0 GDADMM COc1cccc(OC)c1OC[C@H](O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000826217327 607874894 /nfs/dbraw/zinc/87/48/94/607874894.db2.gz ICHISUGHZDTHOS-LLVKDONJSA-N -1 1 390.371 1.842 20 0 GDADMM O=C1c2ccccc2C(=O)N1C[C@@H](O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000826483244 607874926 /nfs/dbraw/zinc/87/49/26/607874926.db2.gz GORCMDAUSFSRRF-SNVBAGLBSA-N -1 1 383.339 1.042 20 0 GDADMM O=C1c2ccccc2C(=O)N1C[C@@H](O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000826483244 607874927 /nfs/dbraw/zinc/87/49/27/607874927.db2.gz GORCMDAUSFSRRF-SNVBAGLBSA-N -1 1 383.339 1.042 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@@H]2Cn2cnc3ccccc32)n1 ZINC000826356728 607920227 /nfs/dbraw/zinc/92/02/27/607920227.db2.gz CUJAKQITAHIQRT-GFCCVEGCSA-N -1 1 392.427 1.646 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@@H]2Cn2cnc3ccccc32)n1 ZINC000826356728 607920228 /nfs/dbraw/zinc/92/02/28/607920228.db2.gz CUJAKQITAHIQRT-GFCCVEGCSA-N -1 1 392.427 1.646 20 0 GDADMM C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)co1 ZINC000826089924 607924263 /nfs/dbraw/zinc/92/42/63/607924263.db2.gz APSJHDVOKODIKC-VIFPVBQESA-N -1 1 377.382 1.286 20 0 GDADMM CCN(CC(=O)NC)C(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000825394640 607939108 /nfs/dbraw/zinc/93/91/08/607939108.db2.gz GENZFLCCHSKIIZ-UHFFFAOYSA-N -1 1 375.458 1.069 20 0 GDADMM C[C@@H](NC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1)c1cn[nH]c1 ZINC000824489649 607940706 /nfs/dbraw/zinc/94/07/06/607940706.db2.gz MNSOFZZFHMZCQE-SNVBAGLBSA-N -1 1 398.431 1.048 20 0 GDADMM CC(C)CNS(=O)(=O)c1ccc(CNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000824266239 607967790 /nfs/dbraw/zinc/96/77/90/607967790.db2.gz HQOADYRROCOSIB-UHFFFAOYSA-N -1 1 387.469 1.808 20 0 GDADMM CC(C)CNS(=O)(=O)c1ccc(CNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000824266239 607967791 /nfs/dbraw/zinc/96/77/91/607967791.db2.gz HQOADYRROCOSIB-UHFFFAOYSA-N -1 1 387.469 1.808 20 0 GDADMM O=S(=O)(N[C@H]1c2ccccc2C[C@@H]1O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826489709 607971530 /nfs/dbraw/zinc/97/15/30/607971530.db2.gz XOQQOURVAIVZLQ-WFASDCNBSA-N -1 1 391.840 1.457 20 0 GDADMM O=S(=O)(N[C@H]1c2ccccc2C[C@@H]1O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826489709 607971531 /nfs/dbraw/zinc/97/15/31/607971531.db2.gz XOQQOURVAIVZLQ-WFASDCNBSA-N -1 1 391.840 1.457 20 0 GDADMM CCc1c(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cnn1-c1ccccn1 ZINC000825686881 607998397 /nfs/dbraw/zinc/99/83/97/607998397.db2.gz AFYGMJUOFRPIQH-UHFFFAOYSA-N -1 1 376.380 1.968 20 0 GDADMM O=S(=O)(N[C@@H]1CCCCC12OCCO2)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826487930 608000306 /nfs/dbraw/zinc/00/03/06/608000306.db2.gz DUQOFHWHPXASBV-GFCCVEGCSA-N -1 1 399.860 1.484 20 0 GDADMM O=S(=O)(N[C@@H]1CCCCC12OCCO2)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826487930 608000307 /nfs/dbraw/zinc/00/03/07/608000307.db2.gz DUQOFHWHPXASBV-GFCCVEGCSA-N -1 1 399.860 1.484 20 0 GDADMM COCCOc1cc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)nc2ccccc21 ZINC000826160995 608005720 /nfs/dbraw/zinc/00/57/20/608005720.db2.gz PGSOCJCKNPWEGU-UHFFFAOYSA-N -1 1 394.395 1.426 20 0 GDADMM COCCOc1cc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)nc2ccccc21 ZINC000826160995 608005721 /nfs/dbraw/zinc/00/57/21/608005721.db2.gz PGSOCJCKNPWEGU-UHFFFAOYSA-N -1 1 394.395 1.426 20 0 GDADMM CCOC(=O)c1sc(N)c(C(=O)OCC)c1Cn1ccnc1-c1nnn[n-]1 ZINC000825577465 608012725 /nfs/dbraw/zinc/01/27/25/608012725.db2.gz WYNHNBNSEWLPNZ-UHFFFAOYSA-N -1 1 391.413 1.109 20 0 GDADMM CCOC(=O)c1sc(N)c(C(=O)OCC)c1Cn1ccnc1-c1nn[n-]n1 ZINC000825577465 608012726 /nfs/dbraw/zinc/01/27/26/608012726.db2.gz WYNHNBNSEWLPNZ-UHFFFAOYSA-N -1 1 391.413 1.109 20 0 GDADMM CC(C)(C)OC(=O)NC(C)(C)c1noc(Cn2ccnc2-c2nnn[n-]2)n1 ZINC000824109620 608013888 /nfs/dbraw/zinc/01/38/88/608013888.db2.gz TTXSXPHGRYUGQU-UHFFFAOYSA-N -1 1 375.393 1.254 20 0 GDADMM CC(C)(C)OC(=O)NC(C)(C)c1noc(Cn2ccnc2-c2nn[n-]n2)n1 ZINC000824109620 608013889 /nfs/dbraw/zinc/01/38/89/608013889.db2.gz TTXSXPHGRYUGQU-UHFFFAOYSA-N -1 1 375.393 1.254 20 0 GDADMM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)c1nc(-c2ccccc2)no1 ZINC000824429065 608037638 /nfs/dbraw/zinc/03/76/38/608037638.db2.gz VWFIPTMLTQFCOV-LLVKDONJSA-N -1 1 376.380 1.845 20 0 GDADMM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)c1nc(-c2ccccc2)no1 ZINC000824429065 608037639 /nfs/dbraw/zinc/03/76/39/608037639.db2.gz VWFIPTMLTQFCOV-LLVKDONJSA-N -1 1 376.380 1.845 20 0 GDADMM Cc1oc(NC(=O)COC(=O)[C@H]2CCC(=O)[C@H](C)C2)c(-c2nn[n-]n2)c1C ZINC000826342386 608059493 /nfs/dbraw/zinc/05/94/93/608059493.db2.gz IJPXPTADPCZDTN-KCJUWKMLSA-N -1 1 375.385 1.564 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CCOc2cc(Cl)cc(Cl)c2)c1=O ZINC000826356694 608095832 /nfs/dbraw/zinc/09/58/32/608095832.db2.gz BELVNISAQISTDP-UHFFFAOYSA-N -1 1 383.195 1.113 20 0 GDADMM C[C@@H](CN(C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1nccs1 ZINC000824413557 608126928 /nfs/dbraw/zinc/12/69/28/608126928.db2.gz NHSOZTFXMUEEMU-VIFPVBQESA-N -1 1 382.446 1.887 20 0 GDADMM CC1([C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3-c3nn[n-]n3)C2)OCCO1 ZINC000824816604 608126983 /nfs/dbraw/zinc/12/69/83/608126983.db2.gz GQTXJKBHORIAIO-NSHDSACASA-N -1 1 397.432 1.170 20 0 GDADMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1c(F)cc(F)cc1Br ZINC000826425338 608148671 /nfs/dbraw/zinc/14/86/71/608148671.db2.gz YPTTVNULHFWBHL-UHFFFAOYSA-N -1 1 384.144 1.743 20 0 GDADMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1c(F)cc(F)cc1Br ZINC000826425338 608148673 /nfs/dbraw/zinc/14/86/73/608148673.db2.gz YPTTVNULHFWBHL-UHFFFAOYSA-N -1 1 384.144 1.743 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC(Cc2cccnc2)CC1 ZINC000826494963 608156588 /nfs/dbraw/zinc/15/65/88/608156588.db2.gz WXIFNJPUOKWTMG-UHFFFAOYSA-N -1 1 385.453 1.300 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC(Cc2cccnc2)CC1 ZINC000826494963 608156590 /nfs/dbraw/zinc/15/65/90/608156590.db2.gz WXIFNJPUOKWTMG-UHFFFAOYSA-N -1 1 385.453 1.300 20 0 GDADMM O=S(=O)(N[C@@H]1CCO[C@@]2(CCOC2)C1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826489791 608159649 /nfs/dbraw/zinc/15/96/49/608159649.db2.gz ZTMMDCATSKYMOO-BMIGLBTASA-N -1 1 399.860 1.137 20 0 GDADMM O=S(=O)(N[C@@H]1CCO[C@@]2(CCOC2)C1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826489791 608159651 /nfs/dbraw/zinc/15/96/51/608159651.db2.gz ZTMMDCATSKYMOO-BMIGLBTASA-N -1 1 399.860 1.137 20 0 GDADMM COc1ccc(C[C@@H](CO)CNc2snc(Cl)c2-c2nnn[n-]2)cc1O ZINC000826191312 608185765 /nfs/dbraw/zinc/18/57/65/608185765.db2.gz CMUYELJYIYCBPU-SECBINFHSA-N -1 1 396.860 1.954 20 0 GDADMM COc1ccc(C[C@@H](CO)CNc2snc(Cl)c2-c2nn[n-]n2)cc1O ZINC000826191312 608185766 /nfs/dbraw/zinc/18/57/66/608185766.db2.gz CMUYELJYIYCBPU-SECBINFHSA-N -1 1 396.860 1.954 20 0 GDADMM Cc1ccccc1[C@H](CO)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000826306235 608186398 /nfs/dbraw/zinc/18/63/98/608186398.db2.gz TWBBVGOPRALLQM-INIZCTEOSA-N -1 1 396.451 1.675 20 0 GDADMM Cc1cccc([C@@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c2ccccn2)c1 ZINC000826296598 608245755 /nfs/dbraw/zinc/24/57/55/608245755.db2.gz BWAKQRZGKUXYQM-MRXNPFEDSA-N -1 1 375.396 1.067 20 0 GDADMM CC(C)(C)OC(=O)CCCCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824098886 608303679 /nfs/dbraw/zinc/30/36/79/608303679.db2.gz DFAMGUQBXGWXES-UHFFFAOYSA-N -1 1 399.448 1.796 20 0 GDADMM Cc1nn(-c2ccccc2)c(CN2CC[S@](=O)[C@H](C)[C@@H]2C)c1-c1nn[n-]n1 ZINC000826332305 608314854 /nfs/dbraw/zinc/31/48/54/608314854.db2.gz PQVGBYQROSMUJA-SSWHHONOSA-N -1 1 385.497 1.702 20 0 GDADMM C[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)[C@H]1C ZINC000824928807 608338684 /nfs/dbraw/zinc/33/86/84/608338684.db2.gz UUXKGSJXEJLIAT-MDZLAQPJSA-N -1 1 388.476 1.698 20 0 GDADMM C[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)[C@H]1C ZINC000824928807 608338686 /nfs/dbraw/zinc/33/86/86/608338686.db2.gz UUXKGSJXEJLIAT-MDZLAQPJSA-N -1 1 388.476 1.698 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NC/C=C\c2ccccc2)n1 ZINC000824147435 608352682 /nfs/dbraw/zinc/35/26/82/608352682.db2.gz CRHRCLXVTTVOKD-YFHOEESVSA-N -1 1 394.439 1.586 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NC/C=C\c2ccccc2)n1 ZINC000824147435 608352684 /nfs/dbraw/zinc/35/26/84/608352684.db2.gz CRHRCLXVTTVOKD-YFHOEESVSA-N -1 1 394.439 1.586 20 0 GDADMM CCC1(CC)CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000825171760 608356628 /nfs/dbraw/zinc/35/66/28/608356628.db2.gz VPPDVIMOBLNSJX-UHFFFAOYSA-N -1 1 388.476 1.795 20 0 GDADMM CCC1(CC)CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000825171760 608356629 /nfs/dbraw/zinc/35/66/29/608356629.db2.gz VPPDVIMOBLNSJX-UHFFFAOYSA-N -1 1 388.476 1.795 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N[C@H]2CC23CCCCC3)n1 ZINC000824141518 608357361 /nfs/dbraw/zinc/35/73/61/608357361.db2.gz JIHAQJIQKVFAEW-LBPRGKRZSA-N -1 1 386.460 1.596 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N[C@H]2CC23CCCCC3)n1 ZINC000824141518 608357362 /nfs/dbraw/zinc/35/73/62/608357362.db2.gz JIHAQJIQKVFAEW-LBPRGKRZSA-N -1 1 386.460 1.596 20 0 GDADMM Cc1ccncc1[C@@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826314643 608358879 /nfs/dbraw/zinc/35/88/79/608358879.db2.gz HAOJUNFXFNFVQN-LLVKDONJSA-N -1 1 397.443 1.338 20 0 GDADMM Cc1ccncc1[C@@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826314643 608358881 /nfs/dbraw/zinc/35/88/81/608358881.db2.gz HAOJUNFXFNFVQN-LLVKDONJSA-N -1 1 397.443 1.338 20 0 GDADMM O=C(CCc1ccccc1)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826409445 608400931 /nfs/dbraw/zinc/40/09/31/608400931.db2.gz ZEJGTNVGWBADMN-UHFFFAOYSA-N -1 1 378.440 1.692 20 0 GDADMM O=C(CCc1ccccc1)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826409445 608400932 /nfs/dbraw/zinc/40/09/32/608400932.db2.gz ZEJGTNVGWBADMN-UHFFFAOYSA-N -1 1 378.440 1.692 20 0 GDADMM OCCN(Cc1cc(Br)ccc1F)c1ccc(-c2nnn[n-]2)nn1 ZINC000826509870 608425500 /nfs/dbraw/zinc/42/55/00/608425500.db2.gz OEATVVQQJYKNHK-UHFFFAOYSA-N -1 1 394.208 1.557 20 0 GDADMM OCCN(Cc1cc(Br)ccc1F)c1ccc(-c2nn[n-]n2)nn1 ZINC000826509870 608425502 /nfs/dbraw/zinc/42/55/02/608425502.db2.gz OEATVVQQJYKNHK-UHFFFAOYSA-N -1 1 394.208 1.557 20 0 GDADMM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000824992613 608426020 /nfs/dbraw/zinc/42/60/20/608426020.db2.gz NHPKUIPWMPXCFS-GFCCVEGCSA-N -1 1 398.858 1.590 20 0 GDADMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000824992613 608426022 /nfs/dbraw/zinc/42/60/22/608426022.db2.gz NHPKUIPWMPXCFS-GFCCVEGCSA-N -1 1 398.858 1.590 20 0 GDADMM CC[C@@H](Cc1ccccc1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825127481 608554770 /nfs/dbraw/zinc/55/47/70/608554770.db2.gz NDGFAXUACAQPGB-AWEZNQCLSA-N -1 1 382.472 1.832 20 0 GDADMM CC[C@@H](Cc1ccccc1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825127481 608554771 /nfs/dbraw/zinc/55/47/71/608554771.db2.gz NDGFAXUACAQPGB-AWEZNQCLSA-N -1 1 382.472 1.832 20 0 GDADMM C[C@H](CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccccc1 ZINC000824385372 608556197 /nfs/dbraw/zinc/55/61/97/608556197.db2.gz RPGPTNCDOCLWFU-GFCCVEGCSA-N -1 1 396.455 1.472 20 0 GDADMM C[C@H](CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccccc1 ZINC000824385372 608556198 /nfs/dbraw/zinc/55/61/98/608556198.db2.gz RPGPTNCDOCLWFU-GFCCVEGCSA-N -1 1 396.455 1.472 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1c[nH]c(-c2ccccc2)n1 ZINC000825930329 608556651 /nfs/dbraw/zinc/55/66/51/608556651.db2.gz STLXDMWMMVUFFZ-UHFFFAOYSA-N -1 1 392.427 1.267 20 0 GDADMM COc1ccc(C(C)(C)C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000826187901 608558312 /nfs/dbraw/zinc/55/83/12/608558312.db2.gz HZLZPHPGWBITRZ-UHFFFAOYSA-N -1 1 398.471 1.549 20 0 GDADMM COc1ccc(C(C)(C)C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000826187901 608558314 /nfs/dbraw/zinc/55/83/14/608558314.db2.gz HZLZPHPGWBITRZ-UHFFFAOYSA-N -1 1 398.471 1.549 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@@H]1C[C@H]1Cc1ccccc1 ZINC000825923441 608559242 /nfs/dbraw/zinc/55/92/42/608559242.db2.gz HUYVKLXSLBVQDC-ZIAGYGMSSA-N -1 1 380.456 1.442 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@@H]1C[C@H]1Cc1ccccc1 ZINC000825923441 608559244 /nfs/dbraw/zinc/55/92/44/608559244.db2.gz HUYVKLXSLBVQDC-ZIAGYGMSSA-N -1 1 380.456 1.442 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cc(F)c(F)cc1F ZINC000825935075 608560159 /nfs/dbraw/zinc/56/01/59/608560159.db2.gz UJTDOKGYDSIDII-UHFFFAOYSA-N -1 1 380.334 1.294 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cc(F)c(F)cc1F ZINC000825935075 608560161 /nfs/dbraw/zinc/56/01/61/608560161.db2.gz UJTDOKGYDSIDII-UHFFFAOYSA-N -1 1 380.334 1.294 20 0 GDADMM Cc1noc(C)c1[C@@H](C)CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826337843 608561014 /nfs/dbraw/zinc/56/10/14/608561014.db2.gz CCJAZJOCTXTUEN-VIFPVBQESA-N -1 1 387.448 1.362 20 0 GDADMM Cc1noc(C)c1[C@@H](C)CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826337843 608561016 /nfs/dbraw/zinc/56/10/16/608561016.db2.gz CCJAZJOCTXTUEN-VIFPVBQESA-N -1 1 387.448 1.362 20 0 GDADMM COc1cccc(CC(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)s3)CC2)c1 ZINC000826215117 608635581 /nfs/dbraw/zinc/63/55/81/608635581.db2.gz HKSLXOXAGRQMDC-UHFFFAOYSA-N -1 1 398.492 1.824 20 0 GDADMM OC[C@@H](c1ccc(Cl)cc1)N1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000826508327 608695175 /nfs/dbraw/zinc/69/51/75/608695175.db2.gz MMNIWSJJOFMRLW-INIZCTEOSA-N -1 1 388.859 1.964 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCCc2ccc(F)c(F)c21 ZINC000826494548 608755483 /nfs/dbraw/zinc/75/54/83/608755483.db2.gz HCQCTGOVAZMIMT-UHFFFAOYSA-N -1 1 378.364 1.681 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCCc2ccc(F)c(F)c21 ZINC000826494548 608755486 /nfs/dbraw/zinc/75/54/86/608755486.db2.gz HCQCTGOVAZMIMT-UHFFFAOYSA-N -1 1 378.364 1.681 20 0 GDADMM C[C@@H]1OCC[C@@H]1C(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000825012980 608884962 /nfs/dbraw/zinc/88/49/62/608884962.db2.gz MWKYRSNKPOOYRS-RYUDHWBXSA-N -1 1 399.411 1.188 20 0 GDADMM CCCc1nnc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)s1 ZINC000825351203 609153447 /nfs/dbraw/zinc/15/34/47/609153447.db2.gz AKNSQIIFXFYHJP-UHFFFAOYSA-N -1 1 391.465 1.073 20 0 GDADMM CCCc1nnc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)s1 ZINC000825351203 609153449 /nfs/dbraw/zinc/15/34/49/609153449.db2.gz AKNSQIIFXFYHJP-UHFFFAOYSA-N -1 1 391.465 1.073 20 0 GDADMM CC(C)CS(=O)(=O)N1CCC(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000824271417 609172498 /nfs/dbraw/zinc/17/24/98/609172498.db2.gz NIBNOONTAQHIMW-UHFFFAOYSA-N -1 1 399.908 1.777 20 0 GDADMM CC(C)CS(=O)(=O)N1CCC(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000824271417 609172500 /nfs/dbraw/zinc/17/25/00/609172500.db2.gz NIBNOONTAQHIMW-UHFFFAOYSA-N -1 1 399.908 1.777 20 0 GDADMM CCC[C@@H]1C[C@H](C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CCO1 ZINC000825253179 609256933 /nfs/dbraw/zinc/25/69/33/609256933.db2.gz MKSZMASXCJZQGJ-VXGBXAGGSA-N -1 1 376.465 1.158 20 0 GDADMM CCC[C@@H]1C[C@H](C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CCO1 ZINC000825253179 609256935 /nfs/dbraw/zinc/25/69/35/609256935.db2.gz MKSZMASXCJZQGJ-VXGBXAGGSA-N -1 1 376.465 1.158 20 0 GDADMM C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000824457418 609263347 /nfs/dbraw/zinc/26/33/47/609263347.db2.gz LVSDQBRLRNFSIB-SECBINFHSA-N -1 1 380.334 1.224 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NC1CCCCCCC1 ZINC000825930101 609298818 /nfs/dbraw/zinc/29/88/18/609298818.db2.gz PQVOBZHTDMIZEO-UHFFFAOYSA-N -1 1 375.481 1.859 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NC1CCCCCCC1 ZINC000825930101 609298820 /nfs/dbraw/zinc/29/88/20/609298820.db2.gz PQVOBZHTDMIZEO-UHFFFAOYSA-N -1 1 375.481 1.859 20 0 GDADMM Cc1ccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)s1 ZINC000826288205 609299421 /nfs/dbraw/zinc/29/94/21/609299421.db2.gz VUDCCJBEVFIKSJ-UHFFFAOYSA-N -1 1 375.462 1.316 20 0 GDADMM Cc1ccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)s1 ZINC000826288205 609299423 /nfs/dbraw/zinc/29/94/23/609299423.db2.gz VUDCCJBEVFIKSJ-UHFFFAOYSA-N -1 1 375.462 1.316 20 0 GDADMM C[C@@H]1CCCC[C@@H]1CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824938151 609300312 /nfs/dbraw/zinc/30/03/12/609300312.db2.gz UACUQYQQQNRFKT-VXGBXAGGSA-N -1 1 375.481 1.572 20 0 GDADMM C[C@@H]1CCCC[C@@H]1CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824938151 609300315 /nfs/dbraw/zinc/30/03/15/609300315.db2.gz UACUQYQQQNRFKT-VXGBXAGGSA-N -1 1 375.481 1.572 20 0 GDADMM Cc1ccccc1C[C@H](C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826306781 609301427 /nfs/dbraw/zinc/30/14/27/609301427.db2.gz LEEKDYFSRMNYLH-ZDUSSCGKSA-N -1 1 397.487 1.686 20 0 GDADMM Cc1ccccc1C[C@H](C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826306781 609301429 /nfs/dbraw/zinc/30/14/29/609301429.db2.gz LEEKDYFSRMNYLH-ZDUSSCGKSA-N -1 1 397.487 1.686 20 0 GDADMM CC(C)c1cc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)on1 ZINC000824342211 609301543 /nfs/dbraw/zinc/30/15/43/609301543.db2.gz NEGBPEBHAVQKRQ-UHFFFAOYSA-N -1 1 388.436 1.058 20 0 GDADMM CC(C)c1cc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)on1 ZINC000824342211 609301545 /nfs/dbraw/zinc/30/15/45/609301545.db2.gz NEGBPEBHAVQKRQ-UHFFFAOYSA-N -1 1 388.436 1.058 20 0 GDADMM CS[C@H]1CC[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1 ZINC000826226777 609304445 /nfs/dbraw/zinc/30/44/45/609304445.db2.gz GEVQWERWISZVJY-UWVGGRQHSA-N -1 1 379.494 1.030 20 0 GDADMM CS[C@H]1CC[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C1 ZINC000826226777 609304447 /nfs/dbraw/zinc/30/44/47/609304447.db2.gz GEVQWERWISZVJY-UWVGGRQHSA-N -1 1 379.494 1.030 20 0 GDADMM Cc1cccc(C)c1CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826297210 609310522 /nfs/dbraw/zinc/31/05/22/609310522.db2.gz YXEJNPCIYTUBQE-UHFFFAOYSA-N -1 1 383.460 1.563 20 0 GDADMM Cc1cccc(C)c1CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826297210 609310524 /nfs/dbraw/zinc/31/05/24/609310524.db2.gz YXEJNPCIYTUBQE-UHFFFAOYSA-N -1 1 383.460 1.563 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)[C@H]1CCc2n[nH]cc2C1 ZINC000826458058 609313290 /nfs/dbraw/zinc/31/32/90/609313290.db2.gz ATSFKGWUGYGDNL-JTQLQIEISA-N -1 1 393.386 1.658 20 0 GDADMM O=C(C=Cc1ccncn1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826403415 609313537 /nfs/dbraw/zinc/31/35/37/609313537.db2.gz RLEOKDVKYQMZKK-PLNGDYQASA-N -1 1 377.343 1.633 20 0 GDADMM COC(=O)[C@H]1CCCCCN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826134170 609318190 /nfs/dbraw/zinc/31/81/90/609318190.db2.gz TZRXUEXOUSQJPJ-GFCCVEGCSA-N -1 1 383.405 1.112 20 0 GDADMM CC[C@H]1COCCN1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825219555 609356155 /nfs/dbraw/zinc/35/61/55/609356155.db2.gz KIUTUPKPUJQWAQ-NSHDSACASA-N -1 1 386.391 1.834 20 0 GDADMM Cc1cc(CNC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)no1 ZINC000826267089 609364188 /nfs/dbraw/zinc/36/41/88/609364188.db2.gz PGEVBPSVYJWSDS-UHFFFAOYSA-N -1 1 383.347 1.810 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N1CCC[C@H](CO)C1 ZINC000826458433 609365423 /nfs/dbraw/zinc/36/54/23/609365423.db2.gz PLWAEZPJFAKWNT-NSHDSACASA-N -1 1 386.391 1.428 20 0 GDADMM C[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824926013 609365735 /nfs/dbraw/zinc/36/57/35/609365735.db2.gz IIWCRQWEPKJKFQ-PWSUYJOCSA-N -1 1 398.402 1.435 20 0 GDADMM O=C(Nc1ccncc1I)c1ccc(-c2nnn[n-]2)s1 ZINC000826458942 609405603 /nfs/dbraw/zinc/40/56/03/609405603.db2.gz NUQRIXXTEPCMQN-UHFFFAOYSA-N -1 1 398.189 1.602 20 0 GDADMM O=C(Nc1ccncc1I)c1ccc(-c2nn[n-]n2)s1 ZINC000826458942 609405605 /nfs/dbraw/zinc/40/56/05/609405605.db2.gz NUQRIXXTEPCMQN-UHFFFAOYSA-N -1 1 398.189 1.602 20 0 GDADMM O=C(c1ccc(=O)[nH]c1)N1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000826472670 609428265 /nfs/dbraw/zinc/42/82/65/609428265.db2.gz SXJHVRJWQMTRGJ-UHFFFAOYSA-N -1 1 392.832 1.040 20 0 GDADMM O=C(c1ccc(=O)[nH]c1)N1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000826472670 609428267 /nfs/dbraw/zinc/42/82/67/609428267.db2.gz SXJHVRJWQMTRGJ-UHFFFAOYSA-N -1 1 392.832 1.040 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)N2CC(n3ccnn3)C2)c1-c1nn[n-]n1 ZINC000826231203 609472216 /nfs/dbraw/zinc/47/22/16/609472216.db2.gz BNWWYLXMCHYFGT-UHFFFAOYSA-N -1 1 383.441 1.150 20 0 GDADMM O=C1[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCCN1Cc1ccccn1 ZINC000826477857 609593805 /nfs/dbraw/zinc/59/38/05/609593805.db2.gz NKFKCJHBOPPCKW-SNVBAGLBSA-N -1 1 390.860 1.975 20 0 GDADMM O=C1[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCCN1Cc1ccccn1 ZINC000826477857 609593807 /nfs/dbraw/zinc/59/38/07/609593807.db2.gz NKFKCJHBOPPCKW-SNVBAGLBSA-N -1 1 390.860 1.975 20 0 GDADMM Cc1cc([C@@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)c(C)s1 ZINC000531049790 649986551 /nfs/dbraw/zinc/98/65/51/649986551.db2.gz RFRUQOBQEDAVNW-SECBINFHSA-N -1 1 385.467 1.213 20 0 GDADMM Cc1nc(S(=O)(=O)[N-]CCNS(=O)(=O)c2cccs2)sc1C ZINC000533331496 650048745 /nfs/dbraw/zinc/04/87/45/650048745.db2.gz NUACYAJAMPWCOU-UHFFFAOYSA-N -1 1 381.526 1.078 20 0 GDADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2SCCC(N)=O)co1 ZINC000535167910 650243796 /nfs/dbraw/zinc/24/37/96/650243796.db2.gz XQZDCUZMEIVRSP-UHFFFAOYSA-N -1 1 383.451 1.408 20 0 GDADMM Cc1nc(S(=O)(=O)[N-][C@H](C)Cn2ncc3ccccc3c2=O)sc1C ZINC000535710240 650254111 /nfs/dbraw/zinc/25/41/11/650254111.db2.gz OLEWECWRWFAOAF-SNVBAGLBSA-N -1 1 378.479 1.837 20 0 GDADMM O=C1NC(=O)[C@H](Cc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)N1 ZINC000536703258 650278768 /nfs/dbraw/zinc/27/87/68/650278768.db2.gz VICTVINWNHFWQO-AWEZNQCLSA-N -1 1 379.825 1.891 20 0 GDADMM CS[C@@H](C)CCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000537997003 650302846 /nfs/dbraw/zinc/30/28/46/650302846.db2.gz BWGTXDYCSPAMGI-LBPRGKRZSA-N -1 1 388.511 1.883 20 0 GDADMM COC(=O)CSCCC(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000538888321 650325264 /nfs/dbraw/zinc/32/52/64/650325264.db2.gz CYVJFRMNSMDMSO-UHFFFAOYSA-N -1 1 388.467 1.068 20 0 GDADMM COc1ccc(NC(=O)N(C)C[C@H](O)C(F)(F)F)cc1[N-]S(C)(=O)=O ZINC000540358168 650357988 /nfs/dbraw/zinc/35/79/88/650357988.db2.gz XOHNBJSVSLOXHW-NSHDSACASA-N -1 1 385.364 1.454 20 0 GDADMM COC(=O)NCC[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000916153197 660187338 /nfs/dbraw/zinc/18/73/38/660187338.db2.gz CSVIVUCCVZAJHC-UHFFFAOYSA-N -1 1 385.211 1.231 20 0 GDADMM O=C(NCc1ccc(Br)cc1Cl)c1cc(=O)n2[n-]cnc2n1 ZINC000545177552 650450472 /nfs/dbraw/zinc/45/04/72/650450472.db2.gz GGHNILRJTJUTPN-UHFFFAOYSA-N -1 1 382.605 1.764 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(I)c([O-])c2)CC[S@@]1=O ZINC000546200531 650474303 /nfs/dbraw/zinc/47/43/03/650474303.db2.gz PZJQVEQWXCEWGN-ASCAZGACSA-N -1 1 379.219 1.590 20 0 GDADMM O=C(Nc1ccc2cccc(Br)c2n1)c1cc(=O)n2[n-]cnc2n1 ZINC000546856237 650488335 /nfs/dbraw/zinc/48/83/35/650488335.db2.gz ZVEKTWWTAXYJGR-UHFFFAOYSA-N -1 1 385.181 1.981 20 0 GDADMM O=C(c1ccc(I)c([O-])c1)N1CCN2CCOC[C@H]2C1 ZINC000546921231 650490325 /nfs/dbraw/zinc/49/03/25/650490325.db2.gz RJSLEMNLXSNSQJ-LLVKDONJSA-N -1 1 388.205 1.153 20 0 GDADMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)c1sccc1C1CC1 ZINC000547368845 650496421 /nfs/dbraw/zinc/49/64/21/650496421.db2.gz YFDDZWWFGIMFJS-UHFFFAOYSA-N -1 1 387.508 1.804 20 0 GDADMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)CC1CCSCC1 ZINC000547371957 650496744 /nfs/dbraw/zinc/49/67/44/650496744.db2.gz UTDBWEJMFSSDFF-UHFFFAOYSA-N -1 1 379.529 1.085 20 0 GDADMM Cc1cc(Br)ccc1S(=O)(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000547553735 650501492 /nfs/dbraw/zinc/50/14/92/650501492.db2.gz OAUNUGKLPBMJIL-NSHDSACASA-N -1 1 388.243 1.455 20 0 GDADMM CCc1ccc([C@H](NS(=O)(=O)c2csnc2C(=O)OC)C(=O)[O-])cc1 ZINC000548204654 650535161 /nfs/dbraw/zinc/53/51/61/650535161.db2.gz JDATUJKCURWKRR-LBPRGKRZSA-N -1 1 384.435 1.596 20 0 GDADMM Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@@H]2CCOc3ccccc32)sc1C ZINC000548824424 650564911 /nfs/dbraw/zinc/56/49/11/650564911.db2.gz WTRPTQADJHCKOA-CYBMUJFWSA-N -1 1 381.479 1.678 20 0 GDADMM O=S(=O)([N-][C@@H](C1CC1)[C@]1(CO)CCCO1)c1ccc(Br)o1 ZINC000549984953 650586792 /nfs/dbraw/zinc/58/67/92/650586792.db2.gz RFXOEXMBEFXRHK-QWHCGFSZSA-N -1 1 380.260 1.641 20 0 GDADMM CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000551999979 650617354 /nfs/dbraw/zinc/61/73/54/650617354.db2.gz BYYQWGWCGHBLJS-ZIAGYGMSSA-N -1 1 386.495 1.819 20 0 GDADMM O=C(Nc1cccc2cc(Br)cnc21)c1cc(=O)n2[n-]cnc2n1 ZINC000553156707 650639103 /nfs/dbraw/zinc/63/91/03/650639103.db2.gz VAUHXJBLTKKGBM-UHFFFAOYSA-N -1 1 385.181 1.981 20 0 GDADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@@H]2CCCSC2)c(F)c1 ZINC000553575918 650651676 /nfs/dbraw/zinc/65/16/76/650651676.db2.gz QRYPHGNFBYKBEE-JTQLQIEISA-N -1 1 382.504 1.619 20 0 GDADMM CC(C)(C)n1nnnc1CS(=O)(=O)c1nc(-c2ccc(Cl)cc2)n[n-]1 ZINC000556073882 650699196 /nfs/dbraw/zinc/69/91/96/650699196.db2.gz UJUNTGDVSHCXMR-UHFFFAOYSA-N -1 1 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658038875 /nfs/dbraw/zinc/03/88/75/658038875.db2.gz KONPRMXLIJHMGF-VXGBXAGGSA-N -1 1 384.527 1.940 20 0 GDADMM O=C(NCc1nc([O-])cc(=O)[nH]1)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000898755757 658955793 /nfs/dbraw/zinc/95/57/93/658955793.db2.gz XEXKFTGUZMNWGW-TURNYIBQSA-N -1 1 376.210 1.852 20 0 GDADMM O=C([O-])[C@@H]1CCCN(C(=O)c2cnc(I)c(O)c2)C1 ZINC000901499712 659217005 /nfs/dbraw/zinc/21/70/05/659217005.db2.gz KKYMAUGRTNUDFD-SSDOTTSWSA-N -1 1 376.150 1.329 20 0 GDADMM COCCn1cc(S(=O)(=O)[N-]c2c(Br)c(C)nn2C)cn1 ZINC000903141242 659296823 /nfs/dbraw/zinc/29/68/23/659296823.db2.gz UKAALMAXSRKRRW-UHFFFAOYSA-N -1 1 378.252 1.135 20 0 GDADMM CS(=O)(=O)CC1([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)COC1 ZINC000903177143 659299571 /nfs/dbraw/zinc/29/95/71/659299571.db2.gz YNKKDEPKDLNHEW-UHFFFAOYSA-N -1 1 388.294 1.226 20 0 GDADMM Cc1ccnc([N-]S(=O)(=O)CCCCS(=O)(=O)N(C)CCCF)c1 ZINC000903660544 659370749 /nfs/dbraw/zinc/37/07/49/659370749.db2.gz DCKHLSSDFLELGM-UHFFFAOYSA-N -1 1 381.495 1.533 20 0 GDADMM O=S(=O)(CCCS(=O)(=O)N(Cc1ccoc1)C1CC1)[N-]CC(F)F ZINC000903681898 659374346 /nfs/dbraw/zinc/37/43/46/659374346.db2.gz QZYAXSZXVSEBFK-UHFFFAOYSA-N -1 1 386.442 1.148 20 0 GDADMM CS[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)C[C@@H]1N(C)C ZINC000906906929 659614955 /nfs/dbraw/zinc/61/49/55/659614955.db2.gz JVQLUGHJDGBDCB-STQMWFEESA-N -1 1 376.475 1.498 20 0 GDADMM O=C([N-]CCCc1ccc(S(=O)(=O)N2CCCOC2)cc1)C(F)(F)F ZINC000907184263 659693115 /nfs/dbraw/zinc/69/31/15/659693115.db2.gz JUCHMMITOWNDRT-UHFFFAOYSA-N -1 1 380.388 1.666 20 0 GDADMM CC[C@@H](O)CNS(=O)(=O)c1ccc(CCC[N-]C(=O)C(F)(F)F)cc1 ZINC000907284065 659719521 /nfs/dbraw/zinc/71/95/21/659719521.db2.gz JNDKQGPDQGDDKT-GFCCVEGCSA-N -1 1 382.404 1.347 20 0 GDADMM O=C(C(=O)N1CCSC[C@@H]1c1nn[n-]n1)c1ccc(Br)s1 ZINC000907479565 659760740 /nfs/dbraw/zinc/76/07/40/659760740.db2.gz FLHWTQRPVIUUKE-ZCFIWIBFSA-N -1 1 388.272 1.523 20 0 GDADMM O=C(c1c(Br)nc2n1CCCC2)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000907480385 659761125 /nfs/dbraw/zinc/76/11/25/659761125.db2.gz OUBULBPICYYDSG-MRVPVSSYSA-N -1 1 398.290 1.425 20 0 GDADMM Cc1nc([C@@H]2CCCOC2)sc1C(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907480694 659761165 /nfs/dbraw/zinc/76/11/65/659761165.db2.gz QIOIOXTXTMAWKR-MNOVXSKESA-N -1 1 380.499 1.789 20 0 GDADMM O=S(=O)([N-]Cc1cnn(CCF)c1)c1ccc(Br)nc1F ZINC000907647645 659799271 /nfs/dbraw/zinc/79/92/71/659799271.db2.gz RNCJPBRXTIDEFM-UHFFFAOYSA-N -1 1 381.202 1.628 20 0 GDADMM COCCO[C@]12CCC[C@@]1([N-]S(=O)(=O)Cc1cc(OC)ns1)CCO2 ZINC000908049330 659861621 /nfs/dbraw/zinc/86/16/21/659861621.db2.gz DBFCIUJRLMRJDW-HUUCEWRRSA-N -1 1 392.499 1.273 20 0 GDADMM COC(=O)[C@](C)(Cn1cccn1)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000908398227 659903926 /nfs/dbraw/zinc/90/39/26/659903926.db2.gz ZIIFOZXWIRZYKL-AWEZNQCLSA-N -1 1 375.809 1.586 20 0 GDADMM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1cccc([O-])c1Br ZINC000908716748 659930626 /nfs/dbraw/zinc/93/06/26/659930626.db2.gz NDFAZJWTQMMDPY-NSHDSACASA-N -1 1 384.230 1.220 20 0 GDADMM O=C([O-])[C@@H]1CCCN(CC(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000911373458 660005940 /nfs/dbraw/zinc/00/59/40/660005940.db2.gz BJXPHWOOVODDJX-QMTHXVAHSA-N -1 1 375.252 1.940 20 0 GDADMM O=C([O-])[C@H]1CCCN(CC(=O)NC[C@H](O)c2cccc(Br)c2)C1 ZINC000911742348 660017858 /nfs/dbraw/zinc/01/78/58/660017858.db2.gz WINPEYOWJBQQRD-JSGCOSHPSA-N -1 1 385.258 1.395 20 0 GDADMM CSCC[C@H](NC(=O)C1(c2cncc(Br)c2)CC1)c1nn[n-]n1 ZINC000912861881 660057227 /nfs/dbraw/zinc/05/72/27/660057227.db2.gz AXYBNMPGKZFKBA-NSHDSACASA-N -1 1 397.302 1.999 20 0 GDADMM COc1ccc(CCC(=O)N2CCOC[C@@H]2c2nn[n-]n2)c(Br)c1 ZINC000913497744 660083675 /nfs/dbraw/zinc/08/36/75/660083675.db2.gz CMOWZPUPDJIWIC-CYBMUJFWSA-N -1 1 396.245 1.504 20 0 GDADMM O=C(c1cn2c(Br)cnc2s1)N1CCC(c2nn[n-]n2)CC1 ZINC000913746408 660095448 /nfs/dbraw/zinc/09/54/48/660095448.db2.gz SAOZUMJJNOOKSU-UHFFFAOYSA-N -1 1 382.247 1.691 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2CCN(C)C2=O)c1F ZINC000914136955 660120254 /nfs/dbraw/zinc/12/02/54/660120254.db2.gz WDLIMQZIRHAJPT-QMMMGPOBSA-N -1 1 381.223 1.106 20 0 GDADMM O=S(=O)(NC1CCN(CCO)CC1)c1c([O-])cccc1OC(F)(F)F ZINC000914156090 660121520 /nfs/dbraw/zinc/12/15/20/660121520.db2.gz QRWGAGFBWAXGPQ-UHFFFAOYSA-N -1 1 384.376 1.026 20 0 GDADMM COC(=O)N1CC([N-]S(=O)(=O)c2c(Br)ccc(OC)c2F)C1 ZINC000914268777 660134093 /nfs/dbraw/zinc/13/40/93/660134093.db2.gz HRBMTDULFYYMQA-UHFFFAOYSA-N -1 1 397.222 1.326 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-]CCc2ccnn2C)c1F ZINC000914372797 660143639 /nfs/dbraw/zinc/14/36/39/660143639.db2.gz YINDKVNAQWFTIM-UHFFFAOYSA-N -1 1 392.250 1.851 20 0 GDADMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]CCN1CC=CCC1 ZINC000392949894 677678045 /nfs/dbraw/zinc/67/80/45/677678045.db2.gz LPUIDBQIZPSVOP-UHFFFAOYSA-N -1 1 390.259 1.898 20 0 GDADMM Cc1nc(S(=O)(=O)[N-]Cc2nn(C)cc2Cl)c(Br)n1C ZINC000393623190 677678113 /nfs/dbraw/zinc/67/81/13/677678113.db2.gz ATDWNUMUVLYSLR-UHFFFAOYSA-N -1 1 382.671 1.356 20 0 GDADMM Cc1noc([C@H](C)N2CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)n1 ZINC000737535594 945092726 /nfs/dbraw/zinc/09/27/26/945092726.db2.gz ZWCZVANHRAOZMO-VIFPVBQESA-N -1 1 375.824 1.490 20 0 GDADMM Cc1noc([C@H](C)N2CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)n1 ZINC000737535594 945092738 /nfs/dbraw/zinc/09/27/38/945092738.db2.gz ZWCZVANHRAOZMO-VIFPVBQESA-N -1 1 375.824 1.490 20 0 GDADMM O=C([O-])[C@H](NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)[C@@H]1CCCOC1 ZINC000908775019 939319816 /nfs/dbraw/zinc/31/98/16/939319816.db2.gz AWPMTQIDYXKHMC-CRAIPNDOSA-N -1 1 393.459 1.969 20 0 GDADMM C[C@@H](NC(=O)c1cc(F)c[nH]1)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571258413 945353560 /nfs/dbraw/zinc/35/35/60/945353560.db2.gz QHQSLDQQCFFQHH-SNVBAGLBSA-N -1 1 385.407 1.159 20 0 GDADMM C[C@@H](NC(=O)c1cc(F)c[nH]1)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571258413 945353571 /nfs/dbraw/zinc/35/35/71/945353571.db2.gz QHQSLDQQCFFQHH-SNVBAGLBSA-N -1 1 385.407 1.159 20 0 GDADMM CC(C)c1ncsc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571262818 945443175 /nfs/dbraw/zinc/44/31/75/945443175.db2.gz YZLUMRYGGUGZDE-UHFFFAOYSA-N 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945453449 /nfs/dbraw/zinc/45/34/49/945453449.db2.gz KOSNQPUSMDWBKX-CABZTGNLSA-N -1 1 385.457 1.209 20 0 GDADMM Cc1ncsc1C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC001571263324 945456072 /nfs/dbraw/zinc/45/60/72/945456072.db2.gz MWDOBJVTMDVAJY-ONGXEEELSA-N -1 1 385.457 1.527 20 0 GDADMM Cc1ncsc1C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC001571263324 945456079 /nfs/dbraw/zinc/45/60/79/945456079.db2.gz MWDOBJVTMDVAJY-ONGXEEELSA-N -1 1 385.457 1.527 20 0 GDADMM Cc1nscc1C(=O)N[C@@H]1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571263575 945461449 /nfs/dbraw/zinc/46/14/49/945461449.db2.gz UGADSYIFOVAJQI-WDEREUQCSA-N -1 1 385.457 1.575 20 0 GDADMM Cc1nscc1C(=O)N[C@@H]1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571263575 945461457 /nfs/dbraw/zinc/46/14/57/945461457.db2.gz UGADSYIFOVAJQI-WDEREUQCSA-N -1 1 385.457 1.575 20 0 GDADMM O=C(Cc1cncs1)N[C@@H]1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571263672 945463571 /nfs/dbraw/zinc/46/35/71/945463571.db2.gz WKFPMDWMSURZBJ-ZYHUDNBSSA-N -1 1 385.457 1.053 20 0 GDADMM O=C(Cc1cncs1)N[C@@H]1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571263672 945463576 /nfs/dbraw/zinc/46/35/76/945463576.db2.gz WKFPMDWMSURZBJ-ZYHUDNBSSA-N -1 1 385.457 1.053 20 0 GDADMM Cc1nsc(N2CC[C@H](NC(=O)c3cc(C4CC4)n[nH]3)C2)c1-c1nn[n-]n1 ZINC001571263699 945465931 /nfs/dbraw/zinc/46/59/31/945465931.db2.gz WXOWBQZCOHFFOP-JTQLQIEISA-N -1 1 385.457 1.241 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H]([C@@H](C)Nc3nccnc3-c3nnn[n-]3)C2)ns1 ZINC001571263690 945465950 /nfs/dbraw/zinc/46/59/50/945465950.db2.gz WWNRRVJCJUCSEK-MNOVXSKESA-N -1 1 385.457 1.384 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H]([C@@H](C)Nc3nccnc3-c3nn[n-]n3)C2)ns1 ZINC001571263690 945465954 /nfs/dbraw/zinc/46/59/54/945465954.db2.gz WWNRRVJCJUCSEK-MNOVXSKESA-N -1 1 385.457 1.384 20 0 GDADMM Cc1nc(C)c(C(=O)N2CC[C@H](N(C)c3ccnc(-c4nn[n-]n4)n3)C2)s1 ZINC001571263902 945469959 /nfs/dbraw/zinc/46/99/59/945469959.db2.gz ZIVBDSVMAZKMFA-NSHDSACASA-N -1 1 385.457 1.081 20 0 GDADMM Cc1nc(C(=O)NC[C@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)sc1C ZINC001571263845 945470104 /nfs/dbraw/zinc/47/01/04/945470104.db2.gz YDVBNYRIJBZPAT-LLVKDONJSA-N -1 1 385.457 1.129 20 0 GDADMM Cc1nc(C(=O)NC[C@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)sc1C ZINC001571263845 945470109 /nfs/dbraw/zinc/47/01/09/945470109.db2.gz YDVBNYRIJBZPAT-LLVKDONJSA-N -1 1 385.457 1.129 20 0 GDADMM CC(C)(O)CC(=O)N1CCC[C@@H]1CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001571264988 945496741 /nfs/dbraw/zinc/49/67/41/945496741.db2.gz BVGGLSPMFYEZDG-MRVPVSSYSA-N -1 1 385.881 1.541 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cncc(Cl)c1 ZINC001571265585 945513440 /nfs/dbraw/zinc/51/34/40/945513440.db2.gz MAUFMZJUYUGBGO-JOYOIKCWSA-N -1 1 385.819 1.420 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cncc(Cl)c1 ZINC001571265585 945513449 /nfs/dbraw/zinc/51/34/49/945513449.db2.gz MAUFMZJUYUGBGO-JOYOIKCWSA-N -1 1 385.819 1.420 20 0 GDADMM CC[C@@H](OC)C(=O)N1CC[C@H](N(C)c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571266112 945531742 /nfs/dbraw/zinc/53/17/42/945531742.db2.gz WKQNPBOXRNNTLH-DTWKUNHWSA-N -1 1 385.881 1.439 20 0 GDADMM O=C(c1cccc(F)c1F)N1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571266894 945557649 /nfs/dbraw/zinc/55/76/49/945557649.db2.gz BLVAJEIMJIRUKP-SNVBAGLBSA-N -1 1 386.366 1.509 20 0 GDADMM O=C(c1cccc(F)c1F)N1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571266894 945557651 /nfs/dbraw/zinc/55/76/51/945557651.db2.gz BLVAJEIMJIRUKP-SNVBAGLBSA-N -1 1 386.366 1.509 20 0 GDADMM O=C(NC1CC(CNc2cnc(-c3nnn[n-]3)cn2)C1)c1ccc(F)c(F)c1 ZINC001571267231 945564495 /nfs/dbraw/zinc/56/44/95/945564495.db2.gz NGDXAEWKTVMOLV-UHFFFAOYSA-N -1 1 386.366 1.555 20 0 GDADMM O=C(NC1CC(CNc2cnc(-c3nn[n-]n3)cn2)C1)c1ccc(F)c(F)c1 ZINC001571267231 945564497 /nfs/dbraw/zinc/56/44/97/945564497.db2.gz NGDXAEWKTVMOLV-UHFFFAOYSA-N -1 1 386.366 1.555 20 0 GDADMM C[C@]1(NC(=O)c2cc(F)cc(F)c2)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571267403 945569548 /nfs/dbraw/zinc/56/95/48/945569548.db2.gz TVSCOFFPTPPMMT-KRWDZBQOSA-N -1 1 386.366 1.334 20 0 GDADMM C[C@]1(NC(=O)c2cc(F)cc(F)c2)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571267403 945569552 /nfs/dbraw/zinc/56/95/52/945569552.db2.gz TVSCOFFPTPPMMT-KRWDZBQOSA-N -1 1 386.366 1.334 20 0 GDADMM C[C@H](c1ccccc1)[C@@H](NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1)C(N)=O ZINC001571267479 945571931 /nfs/dbraw/zinc/57/19/31/945571931.db2.gz WLBLBYOFDHTYCF-RFAUZJTJSA-N -1 1 386.362 1.532 20 0 GDADMM C[C@H](c1ccccc1)[C@@H](NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1)C(N)=O ZINC001571267479 945571936 /nfs/dbraw/zinc/57/19/36/945571936.db2.gz WLBLBYOFDHTYCF-RFAUZJTJSA-N -1 1 386.362 1.532 20 0 GDADMM Cc1csc(N2CCN(C(=O)c3[nH]c(=O)c(-c4nn[n-]n4)cc3C)CC2)n1 ZINC001571269684 945623768 /nfs/dbraw/zinc/62/37/68/945623768.db2.gz CFESMGWYOBNJMO-UHFFFAOYSA-N -1 1 386.441 1.003 20 0 GDADMM COc1cc(C)sc1C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571270008 945629093 /nfs/dbraw/zinc/62/90/93/945629093.db2.gz KGIZRDCUPRWTOV-SNVBAGLBSA-N -1 1 386.441 1.044 20 0 GDADMM COc1cc(C)sc1C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571270008 945629098 /nfs/dbraw/zinc/62/90/98/945629098.db2.gz KGIZRDCUPRWTOV-SNVBAGLBSA-N -1 1 386.441 1.044 20 0 GDADMM Cc1cc(NC(=O)C2CC2)sc1C(=O)Nc1nn(C)c(C)c1-c1nnn[n-]1 ZINC001571270463 945636544 /nfs/dbraw/zinc/63/65/44/945636544.db2.gz UBYCBUZVXFVSAV-UHFFFAOYSA-N -1 1 386.441 1.879 20 0 GDADMM Cc1cc(NC(=O)C2CC2)sc1C(=O)Nc1nn(C)c(C)c1-c1nn[n-]n1 ZINC001571270463 945636552 /nfs/dbraw/zinc/63/65/52/945636552.db2.gz UBYCBUZVXFVSAV-UHFFFAOYSA-N -1 1 386.441 1.879 20 0 GDADMM COc1cccc([C@@H]2C[C@H]2CNS(=O)(=O)c2cccnc2-c2nn[n-]n2)c1 ZINC001571270718 945640707 /nfs/dbraw/zinc/64/07/07/945640707.db2.gz ZQLLTWKDNDCWSJ-JSGCOSHPSA-N -1 1 386.437 1.352 20 0 GDADMM O=C(c1ccc(Cl)o1)N1CC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001571271761 945650130 /nfs/dbraw/zinc/65/01/30/945650130.db2.gz IYKFSVFCQATDJH-GXSJLCMTSA-N -1 1 386.803 1.254 20 0 GDADMM O=C(c1ccc(Cl)o1)N1CC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571271761 945650134 /nfs/dbraw/zinc/65/01/34/945650134.db2.gz IYKFSVFCQATDJH-GXSJLCMTSA-N -1 1 386.803 1.254 20 0 GDADMM CCc1nc(NC[C@@H]2CCCN2C(=O)C2CC(OC)C2)cc(-c2nnn[n-]2)n1 ZINC001571273261 945684070 /nfs/dbraw/zinc/68/40/70/945684070.db2.gz UGEOGMFUDVEMAX-CPCZMJQVSA-N -1 1 386.460 1.047 20 0 GDADMM CCc1nc(NC[C@@H]2CCCN2C(=O)C2CC(OC)C2)cc(-c2nn[n-]n2)n1 ZINC001571273261 945684076 /nfs/dbraw/zinc/68/40/76/945684076.db2.gz UGEOGMFUDVEMAX-CPCZMJQVSA-N -1 1 386.460 1.047 20 0 GDADMM COC1CC(C(=O)N2CCCC[C@H]2CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571273368 945685252 /nfs/dbraw/zinc/68/52/52/945685252.db2.gz WLKVICGSRXMSEW-MOKVOYLWSA-N -1 1 386.460 1.265 20 0 GDADMM COC1CC(C(=O)N2CCCC[C@H]2CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571273368 945685257 /nfs/dbraw/zinc/68/52/57/945685257.db2.gz WLKVICGSRXMSEW-MOKVOYLWSA-N -1 1 386.460 1.265 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccc2c(c1)OCCCO2 ZINC000821600290 945737860 /nfs/dbraw/zinc/73/78/60/945737860.db2.gz GPYPLZYBTLVGSP-UHFFFAOYSA-N -1 1 398.427 1.038 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccc2c(c1)OCCCO2 ZINC000821600290 945737864 /nfs/dbraw/zinc/73/78/64/945737864.db2.gz GPYPLZYBTLVGSP-UHFFFAOYSA-N -1 1 398.427 1.038 20 0 GDADMM Cc1c(NC(=O)c2cccc(-c3nnn[n-]3)n2)cccc1S(=O)(=O)N(C)C ZINC001571279025 945766609 /nfs/dbraw/zinc/76/66/09/945766609.db2.gz GJEPKZUZGBOSLD-UHFFFAOYSA-N -1 1 387.425 1.073 20 0 GDADMM Cc1c(NC(=O)c2cccc(-c3nn[n-]n3)n2)cccc1S(=O)(=O)N(C)C ZINC001571279025 945766612 /nfs/dbraw/zinc/76/66/12/945766612.db2.gz GJEPKZUZGBOSLD-UHFFFAOYSA-N -1 1 387.425 1.073 20 0 GDADMM C[C@@]1(C(=O)N[C@@H]2CCCC[C@H]2Nc2cnc(-c3nnn[n-]3)cn2)CCCOC1 ZINC001571279988 945793699 /nfs/dbraw/zinc/79/36/99/945793699.db2.gz YQMQHGCDLCWHAG-SNUQEOBHSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@]1(C(=O)N[C@@H]2CCCC[C@H]2Nc2cnc(-c3nn[n-]n3)cn2)CCCOC1 ZINC001571279988 945793702 /nfs/dbraw/zinc/79/37/02/945793702.db2.gz YQMQHGCDLCWHAG-SNUQEOBHSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H]1CN(C(=O)c2cc(Cl)c[nH]2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571284616 945901897 /nfs/dbraw/zinc/90/18/97/945901897.db2.gz RQAVFBJMAIOZEO-UWVGGRQHSA-N -1 1 387.835 1.458 20 0 GDADMM C[C@H]1CN(C(=O)c2cc(Cl)c[nH]2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571284616 945901905 /nfs/dbraw/zinc/90/19/05/945901905.db2.gz RQAVFBJMAIOZEO-UWVGGRQHSA-N -1 1 387.835 1.458 20 0 GDADMM CCOC(=O)c1sc(CNC(=O)Nc2ccnc(-c3nnn[n-]3)c2)nc1C ZINC001571286206 945938852 /nfs/dbraw/zinc/93/88/52/945938852.db2.gz AUPGPOYGHGKSEJ-UHFFFAOYSA-N -1 1 388.413 1.525 20 0 GDADMM CCOC(=O)c1sc(CNC(=O)Nc2ccnc(-c3nn[n-]n3)c2)nc1C ZINC001571286206 945938859 /nfs/dbraw/zinc/93/88/59/945938859.db2.gz AUPGPOYGHGKSEJ-UHFFFAOYSA-N -1 1 388.413 1.525 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](CNC(=O)c3ccc(F)s3)C2)n1 ZINC001571286475 945947354 /nfs/dbraw/zinc/94/73/54/945947354.db2.gz IYWKUNXONUEXMA-JTQLQIEISA-N -1 1 388.432 1.422 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](CNC(=O)c3ccc(F)s3)C2)n1 ZINC001571286475 945947365 /nfs/dbraw/zinc/94/73/65/945947365.db2.gz IYWKUNXONUEXMA-JTQLQIEISA-N -1 1 388.432 1.422 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2ccc(F)s2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571286822 945960607 /nfs/dbraw/zinc/96/06/07/945960607.db2.gz SNBSQAJILXBMPK-VHSXEESVSA-N -1 1 388.432 1.645 20 0 GDADMM CC1(C)CN(C(=O)C2CCC(F)CC2)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571288331 945985221 /nfs/dbraw/zinc/98/52/21/945985221.db2.gz OHPQABJBGJIISE-YIZWMMSDSA-N -1 1 388.451 1.834 20 0 GDADMM CC1(C)CN(C(=O)C2CCC(F)CC2)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571288331 945985228 /nfs/dbraw/zinc/98/52/28/945985228.db2.gz OHPQABJBGJIISE-YIZWMMSDSA-N -1 1 388.451 1.834 20 0 GDADMM CC1(C)CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1NC(=O)C1CCC(F)CC1 ZINC001571288733 945989941 /nfs/dbraw/zinc/98/99/41/945989941.db2.gz SEYMIUIDYMKICP-ORHYLEIMSA-N -1 1 388.451 1.516 20 0 GDADMM CC1(C)CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1NC(=O)C1CCC(F)CC1 ZINC001571288733 945989945 /nfs/dbraw/zinc/98/99/45/945989945.db2.gz SEYMIUIDYMKICP-ORHYLEIMSA-N -1 1 388.451 1.516 20 0 GDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCN(C(=O)C2(CF)CCC2)C1 ZINC001571289275 946000652 /nfs/dbraw/zinc/00/06/52/946000652.db2.gz YTHXNGHZHUNAQH-OLZOCXBDSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCN(C(=O)C2(CF)CCC2)C1 ZINC001571289275 946000663 /nfs/dbraw/zinc/00/06/63/946000663.db2.gz YTHXNGHZHUNAQH-OLZOCXBDSA-N -1 1 388.451 1.836 20 0 GDADMM CCc1nc(C(=O)N[C@@H]2CCN(c3snc(C)c3-c3nn[n-]n3)C2)c(C)o1 ZINC001571289546 946010000 /nfs/dbraw/zinc/01/00/00/946010000.db2.gz HFXWEVFHHUGSQO-SNVBAGLBSA-N -1 1 388.457 1.499 20 0 GDADMM CCc1nc(N[C@H]2CCN(C(=O)C3CCC(F)CC3)C2)cc(-c2nnn[n-]2)n1 ZINC001571289613 946013629 /nfs/dbraw/zinc/01/36/29/946013629.db2.gz IRTUYFYYDNCWJM-BPCQOVAHSA-N -1 1 388.451 1.760 20 0 GDADMM CCc1nc(N[C@H]2CCN(C(=O)C3CCC(F)CC3)C2)cc(-c2nn[n-]n2)n1 ZINC001571289613 946013635 /nfs/dbraw/zinc/01/36/35/946013635.db2.gz IRTUYFYYDNCWJM-BPCQOVAHSA-N -1 1 388.451 1.760 20 0 GDADMM CCO[C@@H]1CN(C(=O)C(CC)CC)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571289861 946019121 /nfs/dbraw/zinc/01/91/21/946019121.db2.gz OFLGBIYKOPQBLN-UKRRQHHQSA-N -1 1 388.476 1.368 20 0 GDADMM CCO[C@@H]1CN(C(=O)C(CC)CC)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571289861 946019131 /nfs/dbraw/zinc/01/91/31/946019131.db2.gz OFLGBIYKOPQBLN-UKRRQHHQSA-N -1 1 388.476 1.368 20 0 GDADMM CCc1noc(C)c1C(=O)N1CC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571289926 946023745 /nfs/dbraw/zinc/02/37/45/946023745.db2.gz PWWPXAXRXAQQOJ-SNVBAGLBSA-N -1 1 388.457 1.817 20 0 GDADMM Cc1nsc(N2CC[C@@H](NC(=O)c3ncoc3C)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571290060 946028710 /nfs/dbraw/zinc/02/87/10/946028710.db2.gz UEPKWPMBRXPHDC-LDYMZIIASA-N -1 1 388.457 1.715 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)C2CCN(C(=O)CC(C)(C)O)CC2)n1 ZINC001571290198 946030872 /nfs/dbraw/zinc/03/08/72/946030872.db2.gz XMUZBHGLFZMLFV-GFCCVEGCSA-N -1 1 388.476 1.165 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)C2CCN(C(=O)CC(C)(C)O)CC2)n1 ZINC001571290198 946030883 /nfs/dbraw/zinc/03/08/83/946030883.db2.gz XMUZBHGLFZMLFV-GFCCVEGCSA-N -1 1 388.476 1.165 20 0 GDADMM C[C@@H]1C[C@H](NC(=O)c2ccoc2Cl)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571290511 946045443 /nfs/dbraw/zinc/04/54/43/946045443.db2.gz HSCDDPNIRWUWTE-NXEZZACHSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@@H]1C[C@H](NC(=O)c2ccoc2Cl)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571290511 946045454 /nfs/dbraw/zinc/04/54/54/946045454.db2.gz HSCDDPNIRWUWTE-NXEZZACHSA-N -1 1 388.819 1.690 20 0 GDADMM COc1cccc2c1CN(S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)CC2 ZINC001571291828 946083583 /nfs/dbraw/zinc/08/35/83/946083583.db2.gz QSUNHTAXKUHKFV-UHFFFAOYSA-N -1 1 389.412 1.761 20 0 GDADMM COc1cccc2c1CN(S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)CC2 ZINC001571291828 946083597 /nfs/dbraw/zinc/08/35/97/946083597.db2.gz QSUNHTAXKUHKFV-UHFFFAOYSA-N -1 1 389.412 1.761 20 0 GDADMM CC[C@@H](C(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C1CCC(C)CC1 ZINC001571294051 946123772 /nfs/dbraw/zinc/12/37/72/946123772.db2.gz YXUNOQJJGBBSSH-WXRRBKDZSA-N -1 1 389.460 1.098 20 0 GDADMM O=C(C1CC(F)(F)C1)N1CC[C@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001571294134 946125368 /nfs/dbraw/zinc/12/53/68/946125368.db2.gz ACKRFAOUQXGILW-INIZCTEOSA-N -1 1 390.398 1.131 20 0 GDADMM O=C(C1CC(F)(F)C1)N1CC[C@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001571294134 946125372 /nfs/dbraw/zinc/12/53/72/946125372.db2.gz ACKRFAOUQXGILW-INIZCTEOSA-N -1 1 390.398 1.131 20 0 GDADMM O=C(C1CC(F)(F)C1)N1CC[C@@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001571294149 946128218 /nfs/dbraw/zinc/12/82/18/946128218.db2.gz ACKRFAOUQXGILW-MRXNPFEDSA-N -1 1 390.398 1.131 20 0 GDADMM O=C(C1CC(F)(F)C1)N1CC[C@@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001571294149 946128222 /nfs/dbraw/zinc/12/82/22/946128222.db2.gz ACKRFAOUQXGILW-MRXNPFEDSA-N -1 1 390.398 1.131 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)C2(C(F)F)CC2)n1 ZINC001571295035 946152493 /nfs/dbraw/zinc/15/24/93/946152493.db2.gz RVEJYJHAUYRBKX-PHIMTYICSA-N -1 1 390.398 1.190 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)C2(C(F)F)CC2)n1 ZINC001571295035 946152500 /nfs/dbraw/zinc/15/25/00/946152500.db2.gz RVEJYJHAUYRBKX-PHIMTYICSA-N -1 1 390.398 1.190 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)c2cnc(C3OCCO3)s2)n1 ZINC001571296160 946186457 /nfs/dbraw/zinc/18/64/57/946186457.db2.gz PGBXIULZNQWZHO-UHFFFAOYSA-N -1 1 390.429 1.572 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2cnc(C3OCCO3)s2)n1 ZINC001571296160 946186463 /nfs/dbraw/zinc/18/64/63/946186463.db2.gz PGBXIULZNQWZHO-UHFFFAOYSA-N -1 1 390.429 1.572 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H](CO)CCC(C)(C)C ZINC001571298047 946203437 /nfs/dbraw/zinc/20/34/37/946203437.db2.gz IEEFJJSGULLKJK-CYBMUJFWSA-N -1 1 390.488 1.820 20 0 GDADMM Cc1cccc(C)c1C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001571298144 946208248 /nfs/dbraw/zinc/20/82/48/946208248.db2.gz ANOLVJZFVZYJDU-QKDCVEJESA-N -1 1 390.451 1.386 20 0 GDADMM Cc1cccc(C)c1C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001571298144 946208258 /nfs/dbraw/zinc/20/82/58/946208258.db2.gz ANOLVJZFVZYJDU-QKDCVEJESA-N -1 1 390.451 1.386 20 0 GDADMM O=C(NC1CCN(c2nccnc2-c2nnn[n-]2)CC1)c1cc(Cl)cs1 ZINC001571298529 946218525 /nfs/dbraw/zinc/21/85/25/946218525.db2.gz AITYBENKOIMSQD-UHFFFAOYSA-N -1 1 390.860 1.770 20 0 GDADMM O=C(NC1CCN(c2nccnc2-c2nn[n-]n2)CC1)c1cc(Cl)cs1 ZINC001571298529 946218536 /nfs/dbraw/zinc/21/85/36/946218536.db2.gz AITYBENKOIMSQD-UHFFFAOYSA-N -1 1 390.860 1.770 20 0 GDADMM CC1(NC(=O)[C@H]2Cc3ccccc32)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571298997 946236354 /nfs/dbraw/zinc/23/63/54/946236354.db2.gz NBEJWPFSVWXLBQ-HNNXBMFYSA-N -1 1 390.451 1.472 20 0 GDADMM CC1(NC(=O)[C@H]2Cc3ccccc32)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571298997 946236365 /nfs/dbraw/zinc/23/63/65/946236365.db2.gz NBEJWPFSVWXLBQ-HNNXBMFYSA-N -1 1 390.451 1.472 20 0 GDADMM Cc1nsc(N(C)C[C@@H]2CCN(C(=O)c3cscn3)C2)c1-c1nn[n-]n1 ZINC001571299058 946238434 /nfs/dbraw/zinc/23/84/34/946238434.db2.gz UATUEGTZEWXWEH-JTQLQIEISA-N -1 1 390.498 1.687 20 0 GDADMM CC(=O)N[C@H](CC(=O)NCc1ccnc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC001573486628 946243554 /nfs/dbraw/zinc/24/35/54/946243554.db2.gz HTJBCDLGWQPAJO-OAHLLOKOSA-N -1 1 399.842 1.799 20 0 GDADMM CC(=O)N[C@H](CC(=O)NCc1ccnc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC001573486628 946243567 /nfs/dbraw/zinc/24/35/67/946243567.db2.gz HTJBCDLGWQPAJO-OAHLLOKOSA-N -1 1 399.842 1.799 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@H]3[C@H]2CCN3c2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001571299241 946244202 /nfs/dbraw/zinc/24/42/02/946244202.db2.gz PPHVBTCPTMOFKB-JKSUJKDBSA-N -1 1 390.451 1.849 20 0 GDADMM Cc1cccc([C@H](C)C(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nnn[n-]3)cn2)c1 ZINC001571299418 946249206 /nfs/dbraw/zinc/24/92/06/946249206.db2.gz QLCMTYCGUMNBGQ-BPUTZDHNSA-N -1 1 390.451 1.558 20 0 GDADMM Cc1cccc([C@H](C)C(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nn[n-]n3)cn2)c1 ZINC001571299418 946249215 /nfs/dbraw/zinc/24/92/15/946249215.db2.gz QLCMTYCGUMNBGQ-BPUTZDHNSA-N -1 1 390.451 1.558 20 0 GDADMM Cc1nsc(N2C[C@@H](NC(=O)c3cscn3)CC[C@H]2C)c1-c1nn[n-]n1 ZINC001571299576 946253159 /nfs/dbraw/zinc/25/31/59/946253159.db2.gz XQFQEEPOKAPGDG-SCZZXKLOSA-N -1 1 390.498 1.875 20 0 GDADMM C[C@H]1C[C@@H]1C(=O)NC[C@@H]1c2ccccc2CCN1c1nccnc1-c1nnn[n-]1 ZINC001571299847 946264023 /nfs/dbraw/zinc/26/40/23/946264023.db2.gz WMXMCHAYLZXBNG-VBNZEHGJSA-N -1 1 390.451 1.533 20 0 GDADMM C[C@H]1C[C@@H]1C(=O)NC[C@@H]1c2ccccc2CCN1c1nccnc1-c1nn[n-]n1 ZINC001571299847 946264033 /nfs/dbraw/zinc/26/40/33/946264033.db2.gz WMXMCHAYLZXBNG-VBNZEHGJSA-N -1 1 390.451 1.533 20 0 GDADMM C[C@]1(NC(=O)c2csc(Cl)c2)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571299894 946264098 /nfs/dbraw/zinc/26/40/98/946264098.db2.gz QHCYPMDKRCURMH-HNNXBMFYSA-N -1 1 390.860 1.770 20 0 GDADMM C[C@]1(NC(=O)c2csc(Cl)c2)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571299894 946264111 /nfs/dbraw/zinc/26/41/11/946264111.db2.gz QHCYPMDKRCURMH-HNNXBMFYSA-N -1 1 390.860 1.770 20 0 GDADMM O=C(COc1ccc2ccc(=O)oc2c1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823041344 946291698 /nfs/dbraw/zinc/29/16/98/946291698.db2.gz ZMKIMYJUISIRCW-UHFFFAOYSA-N -1 1 379.332 1.696 20 0 GDADMM O=S(=O)(NCc1nc(-c2nnn[n-]2)cs1)c1cccnc1C(F)(F)F ZINC001571302151 946294256 /nfs/dbraw/zinc/29/42/56/946294256.db2.gz PSVGJYVFRAJNAP-UHFFFAOYSA-N -1 1 391.360 1.216 20 0 GDADMM O=S(=O)(NCc1nc(-c2nn[n-]n2)cs1)c1cccnc1C(F)(F)F ZINC001571302151 946294269 /nfs/dbraw/zinc/29/42/69/946294269.db2.gz PSVGJYVFRAJNAP-UHFFFAOYSA-N -1 1 391.360 1.216 20 0 GDADMM O=C(c1c(F)cncc1F)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001571302308 946300373 /nfs/dbraw/zinc/30/03/73/946300373.db2.gz UMYUDQQFYISBHD-UHFFFAOYSA-N -1 1 391.407 1.559 20 0 GDADMM CC(=O)NC1CCC(NC(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)CC1 ZINC001573496363 946323192 /nfs/dbraw/zinc/32/31/92/946323192.db2.gz YSCCZXWVUAFNJT-UHFFFAOYSA-N -1 1 384.853 1.545 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(C)c(C)n2)n1 ZINC001571303583 946342133 /nfs/dbraw/zinc/34/21/33/946342133.db2.gz TYZPISHEMDVSPR-KBPBESRZSA-N -1 1 391.439 1.080 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(C)c(C)n2)n1 ZINC001571303583 946342145 /nfs/dbraw/zinc/34/21/45/946342145.db2.gz TYZPISHEMDVSPR-KBPBESRZSA-N -1 1 391.439 1.080 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)c3ccc(C4CC4)cn3)C2)n1 ZINC001571303771 946347150 /nfs/dbraw/zinc/34/71/50/946347150.db2.gz XVGQZRBTTAQXBH-AWEZNQCLSA-N -1 1 391.439 1.246 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)c3ccc(C4CC4)cn3)C2)n1 ZINC001571303771 946347160 /nfs/dbraw/zinc/34/71/60/946347160.db2.gz XVGQZRBTTAQXBH-AWEZNQCLSA-N -1 1 391.439 1.246 20 0 GDADMM O=C(NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)c1ncc(Cl)s1 ZINC001571305410 946360602 /nfs/dbraw/zinc/36/06/02/946360602.db2.gz ANPRSVQMPZDACM-UHFFFAOYSA-N -1 1 391.848 1.165 20 0 GDADMM O=C(NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)c1ncc(Cl)s1 ZINC001571305410 946360614 /nfs/dbraw/zinc/36/06/14/946360614.db2.gz ANPRSVQMPZDACM-UHFFFAOYSA-N -1 1 391.848 1.165 20 0 GDADMM Cc1nsc(NC[C@@H]2CN(C(=O)C[C@@H]3CCOC3)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571305451 946362894 /nfs/dbraw/zinc/36/28/94/946362894.db2.gz BNDVBSPIOWKEHS-KGYLQXTDSA-N -1 1 391.501 1.565 20 0 GDADMM CO[C@@H](C)C(=O)N1CCC[C@]2(CCN(c3snc(C)c3-c3nn[n-]n3)C2)C1 ZINC001571305435 946364370 /nfs/dbraw/zinc/36/43/70/946364370.db2.gz BCOMQDIPAOYIKV-SJCJKPOMSA-N -1 1 391.501 1.485 20 0 GDADMM CCOC1CC(C(=O)N(C)[C@H]2CCN(c3snc(C)c3-c3nn[n-]n3)C2)C1 ZINC001571305595 946368844 /nfs/dbraw/zinc/36/88/44/946368844.db2.gz GWYWOXRKCIPPLU-CPCZMJQVSA-N -1 1 391.501 1.484 20 0 GDADMM O=C(c1nc(Cl)cs1)N1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571305663 946369040 /nfs/dbraw/zinc/36/90/40/946369040.db2.gz IRAYAUSYTXTKHF-QMMMGPOBSA-N -1 1 391.848 1.483 20 0 GDADMM O=C(c1nc(Cl)cs1)N1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571305663 946369053 /nfs/dbraw/zinc/36/90/53/946369053.db2.gz IRAYAUSYTXTKHF-QMMMGPOBSA-N -1 1 391.848 1.483 20 0 GDADMM Cc1nsc(N(C)C2CCN(C(=O)[C@@H]3CCCCO3)CC2)c1-c1nn[n-]n1 ZINC001571306135 946389267 /nfs/dbraw/zinc/38/92/67/946389267.db2.gz PZUQYULBSBQGSL-ZDUSSCGKSA-N -1 1 391.501 1.628 20 0 GDADMM CCOC1CC(C(=O)N2CCC[C@H](Nc3snc(C)c3-c3nn[n-]n3)C2)C1 ZINC001571306359 946398078 /nfs/dbraw/zinc/39/80/78/946398078.db2.gz UDXKIZPXETWQLY-CPCZMJQVSA-N -1 1 391.501 1.850 20 0 GDADMM CO[C@@H]1CCC[C@@H](C(=O)N2CCN(c3snc(C)c3-c3nn[n-]n3)CC2)C1 ZINC001571306320 946398116 /nfs/dbraw/zinc/39/81/16/946398116.db2.gz SQIVLAZTOARSAD-CHWSQXEVSA-N -1 1 391.501 1.485 20 0 GDADMM O=C(NC[C@H]1C[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1)c1ccncn1 ZINC001571306582 946405167 /nfs/dbraw/zinc/40/51/67/946405167.db2.gz XXGYTSOMZOTGIM-ZKCHVHJHSA-N -1 1 391.848 1.387 20 0 GDADMM O=C(NC[C@H]1C[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1)c1ccncn1 ZINC001571306582 946405180 /nfs/dbraw/zinc/40/51/80/946405180.db2.gz XXGYTSOMZOTGIM-ZKCHVHJHSA-N -1 1 391.848 1.387 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000823294803 946408280 /nfs/dbraw/zinc/40/82/80/946408280.db2.gz RUWDUXMGKZULIW-UHFFFAOYSA-N -1 1 395.347 1.821 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H](NC(=O)[C@H]3CCC3(F)F)C2)n1 ZINC001571307565 946425155 /nfs/dbraw/zinc/42/51/55/946425155.db2.gz FDUREMNWDVTMLY-GHMZBOCLSA-N -1 1 392.414 1.349 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H](NC(=O)[C@H]3CCC3(F)F)C2)n1 ZINC001571307565 946425160 /nfs/dbraw/zinc/42/51/60/946425160.db2.gz FDUREMNWDVTMLY-GHMZBOCLSA-N -1 1 392.414 1.349 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571307881 946426980 /nfs/dbraw/zinc/42/69/80/946426980.db2.gz IVMIOANJILFGPZ-GHMZBOCLSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571307881 946426988 /nfs/dbraw/zinc/42/69/88/946426988.db2.gz IVMIOANJILFGPZ-GHMZBOCLSA-N -1 1 392.414 1.599 20 0 GDADMM CCc1nc(N[C@H]2CN(C(=O)C3(C(F)F)CC3)C[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571308267 946430795 /nfs/dbraw/zinc/43/07/95/946430795.db2.gz NMYKXNSZGKOXGB-ONGXEEELSA-N -1 1 392.414 1.523 20 0 GDADMM CCc1nc(N[C@H]2CN(C(=O)C3(C(F)F)CC3)C[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571308267 946430802 /nfs/dbraw/zinc/43/08/02/946430802.db2.gz NMYKXNSZGKOXGB-ONGXEEELSA-N -1 1 392.414 1.523 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)C2(C(C)(F)F)CC2)C1)c1cncc(-c2nnn[n-]2)n1 ZINC001571308099 946431836 /nfs/dbraw/zinc/43/18/36/946431836.db2.gz MQTVOGPVCPQIPT-NSHDSACASA-N -1 1 392.414 1.377 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)C2(C(C)(F)F)CC2)C1)c1cncc(-c2nn[n-]n2)n1 ZINC001571308099 946431844 /nfs/dbraw/zinc/43/18/44/946431844.db2.gz MQTVOGPVCPQIPT-NSHDSACASA-N -1 1 392.414 1.377 20 0 GDADMM CN(C(=O)C[C@@H]1CCCC1(F)F)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571308725 946436280 /nfs/dbraw/zinc/43/62/80/946436280.db2.gz SMQLLIKOCNZZEH-RYUDHWBXSA-N -1 1 392.414 1.519 20 0 GDADMM CN(C(=O)C[C@@H]1CCCC1(F)F)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571308725 946436284 /nfs/dbraw/zinc/43/62/84/946436284.db2.gz SMQLLIKOCNZZEH-RYUDHWBXSA-N -1 1 392.414 1.519 20 0 GDADMM C[C@]1(NC(=O)[C@@H]2CCCC(F)(F)C2)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571309188 946439287 /nfs/dbraw/zinc/43/92/87/946439287.db2.gz XJOGAADQORXXST-BZNIZROVSA-N -1 1 392.414 1.567 20 0 GDADMM C[C@]1(NC(=O)[C@@H]2CCCC(F)(F)C2)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571309188 946439292 /nfs/dbraw/zinc/43/92/92/946439292.db2.gz XJOGAADQORXXST-BZNIZROVSA-N -1 1 392.414 1.567 20 0 GDADMM O=C(C[C@@H]1CCCC1(F)F)N1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571309557 946446500 /nfs/dbraw/zinc/44/65/00/946446500.db2.gz DFDAXYUXUFXLCO-NEPJUHHUSA-N -1 1 392.414 1.743 20 0 GDADMM O=C(C[C@@H]1CCCC1(F)F)N1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571309557 946446506 /nfs/dbraw/zinc/44/65/06/946446506.db2.gz DFDAXYUXUFXLCO-NEPJUHHUSA-N -1 1 392.414 1.743 20 0 GDADMM O=C(C[C@H]1CCC(F)(F)C1)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571310007 946459319 /nfs/dbraw/zinc/45/93/19/946459319.db2.gz RSCHVCUGJDQVGA-VXGBXAGGSA-N -1 1 392.414 1.885 20 0 GDADMM O=C(C[C@H]1CCC(F)(F)C1)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571310007 946459326 /nfs/dbraw/zinc/45/93/26/946459326.db2.gz RSCHVCUGJDQVGA-VXGBXAGGSA-N -1 1 392.414 1.885 20 0 GDADMM CN(C(=O)[C@H]1COc2ccccc21)C1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571310053 946461046 /nfs/dbraw/zinc/46/10/46/946461046.db2.gz SZKQQWDNCVOPCJ-YIZWMMSDSA-N -1 1 392.423 1.234 20 0 GDADMM CN(C(=O)[C@H]1COc2ccccc21)C1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571310053 946461054 /nfs/dbraw/zinc/46/10/54/946461054.db2.gz SZKQQWDNCVOPCJ-YIZWMMSDSA-N -1 1 392.423 1.234 20 0 GDADMM CN(C[C@H]1CCCCN1C(=O)Cc1ccccc1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571313423 946521389 /nfs/dbraw/zinc/52/13/89/946521389.db2.gz OJHDGMPLDPTQEP-MRXNPFEDSA-N -1 1 392.467 1.717 20 0 GDADMM CN(C[C@H]1CCCCN1C(=O)Cc1ccccc1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571313423 946521398 /nfs/dbraw/zinc/52/13/98/946521398.db2.gz OJHDGMPLDPTQEP-MRXNPFEDSA-N -1 1 392.467 1.717 20 0 GDADMM C[C@H](NC(=O)C1C=CC=CC=C1)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571313513 946526287 /nfs/dbraw/zinc/52/62/87/946526287.db2.gz QNMWSHAOHZRPPT-AWEZNQCLSA-N -1 1 392.467 1.676 20 0 GDADMM C[C@H](NC(=O)C1C=CC=CC=C1)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571313513 946526293 /nfs/dbraw/zinc/52/62/93/946526293.db2.gz QNMWSHAOHZRPPT-AWEZNQCLSA-N -1 1 392.467 1.676 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](N(C)C(=O)[C@H](C)c3ccccc3)C2)n1 ZINC001571314692 946542709 /nfs/dbraw/zinc/54/27/09/946542709.db2.gz AEGDCORACIVPIZ-GDBMZVCRSA-N -1 1 392.467 1.806 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](N(C)C(=O)[C@H](C)c3ccccc3)C2)n1 ZINC001571314692 946542716 /nfs/dbraw/zinc/54/27/16/946542716.db2.gz AEGDCORACIVPIZ-GDBMZVCRSA-N -1 1 392.467 1.806 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@@H](C)[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571315125 946546321 /nfs/dbraw/zinc/54/63/21/946546321.db2.gz GJKFKKCKAPHLCC-ZBFHGGJFSA-N -1 1 392.467 1.597 20 0 GDADMM Cc1cc(C)cc(C(=O)NCC2CCN(c3nccnc3-c3nnn[n-]3)CC2)c1 ZINC001571316268 946571926 /nfs/dbraw/zinc/57/19/26/946571926.db2.gz XVAWBNKQCSVCFV-UHFFFAOYSA-N -1 1 392.467 1.920 20 0 GDADMM Cc1cc(C)cc(C(=O)NCC2CCN(c3nccnc3-c3nn[n-]n3)CC2)c1 ZINC001571316268 946571934 /nfs/dbraw/zinc/57/19/34/946571934.db2.gz XVAWBNKQCSVCFV-UHFFFAOYSA-N -1 1 392.467 1.920 20 0 GDADMM Cc1ccccc1CCC(=O)N1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C[C@@H]1C ZINC001571316421 946577806 /nfs/dbraw/zinc/57/78/06/946577806.db2.gz CEIRMILJHQCUIF-HOCLYGCPSA-N -1 1 392.467 1.999 20 0 GDADMM Cc1ccccc1CCC(=O)N1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C[C@@H]1C ZINC001571316421 946577815 /nfs/dbraw/zinc/57/78/15/946577815.db2.gz CEIRMILJHQCUIF-HOCLYGCPSA-N -1 1 392.467 1.999 20 0 GDADMM Cc1ccccc1CC(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001571316514 946578681 /nfs/dbraw/zinc/57/86/81/946578681.db2.gz FERPXRNGMZKYAX-MRXNPFEDSA-N -1 1 392.467 1.635 20 0 GDADMM Cc1ccccc1CC(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001571316514 946578694 /nfs/dbraw/zinc/57/86/94/946578694.db2.gz FERPXRNGMZKYAX-MRXNPFEDSA-N -1 1 392.467 1.635 20 0 GDADMM Cc1ccccc1CCC(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571316863 946589812 /nfs/dbraw/zinc/58/98/12/946589812.db2.gz OOHFBGJTDJXHAG-UHFFFAOYSA-N -1 1 392.467 1.637 20 0 GDADMM Cc1ccccc1CCC(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571316863 946589827 /nfs/dbraw/zinc/58/98/27/946589827.db2.gz OOHFBGJTDJXHAG-UHFFFAOYSA-N -1 1 392.467 1.637 20 0 GDADMM Cc1ccccc1[C@@H](C)C(=O)N(C)C1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571316905 946592899 /nfs/dbraw/zinc/59/28/99/946592899.db2.gz PMLPQWGSWURMRW-WLYUNCDWSA-N -1 1 392.467 1.592 20 0 GDADMM Cc1cccc(CC(=O)N2CC[C@](C)(CNc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571316985 946595952 /nfs/dbraw/zinc/59/59/52/946595952.db2.gz RHAGKZVUKHLQFO-HXUWFJFHSA-N -1 1 392.467 1.280 20 0 GDADMM O=C(N[C@H]1CCN(c2snc(Cl)c2-c2nn[nH]n2)C1)c1ncccc1[O-] ZINC001571317389 946609520 /nfs/dbraw/zinc/60/95/20/946609520.db2.gz FWWPQNSAZUITRI-ZETCQYMHSA-N -1 1 392.832 1.086 20 0 GDADMM C[C@H]1C[C@@H](C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)CCO1 ZINC000824868202 946961895 /nfs/dbraw/zinc/96/18/95/946961895.db2.gz UCWYPHPGQLPEHD-AAEUAGOBSA-N -1 1 387.444 1.196 20 0 GDADMM C[C@@H]1C[C@@H](C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)CCO1 ZINC000824868208 946961963 /nfs/dbraw/zinc/96/19/63/946961963.db2.gz UCWYPHPGQLPEHD-YPMHNXCESA-N -1 1 387.444 1.196 20 0 GDADMM CCCCC(=O)N1CSC[C@@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825258852 947133548 /nfs/dbraw/zinc/13/35/48/947133548.db2.gz FRDYXTQKKTUWAP-GFCCVEGCSA-N -1 1 376.442 1.603 20 0 GDADMM CCOC(=O)C[C@@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)c1ccccc1 ZINC000825505979 947209305 /nfs/dbraw/zinc/20/93/05/947209305.db2.gz AUTJMOGZPWQPER-CYBMUJFWSA-N -1 1 384.396 1.516 20 0 GDADMM CCOC(=O)C[C@@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)c1ccccc1 ZINC000825505979 947209310 /nfs/dbraw/zinc/20/93/10/947209310.db2.gz AUTJMOGZPWQPER-CYBMUJFWSA-N -1 1 384.396 1.516 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)c2c(C)[nH]c3ccccc32)c1-c1nn[n-]n1 ZINC000825570962 947234803 /nfs/dbraw/zinc/23/48/03/947234803.db2.gz PIRMECNJKQZPKW-UHFFFAOYSA-N -1 1 379.380 1.913 20 0 GDADMM CCOc1cc2c(cc1CNC(=O)Cc1noc(C)c1-c1nnn[n-]1)O[C@@H](C)C2 ZINC000825615797 947259403 /nfs/dbraw/zinc/25/94/03/947259403.db2.gz KZLLUNVUYXCUCP-JTQLQIEISA-N -1 1 398.423 1.744 20 0 GDADMM CCOc1cc2c(cc1CNC(=O)Cc1noc(C)c1-c1nn[n-]n1)O[C@@H](C)C2 ZINC000825615797 947259411 /nfs/dbraw/zinc/25/94/11/947259411.db2.gz KZLLUNVUYXCUCP-JTQLQIEISA-N -1 1 398.423 1.744 20 0 GDADMM C=C/C(C)=C\CC(=O)N(CCC)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573318153 947303416 /nfs/dbraw/zinc/30/34/16/947303416.db2.gz QRIRDGBTRFNNOF-XXUROBRHSA-N -1 1 382.472 1.996 20 0 GDADMM C=C/C(C)=C\CC(=O)N(CCC)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573318153 947303431 /nfs/dbraw/zinc/30/34/31/947303431.db2.gz QRIRDGBTRFNNOF-XXUROBRHSA-N -1 1 382.472 1.996 20 0 GDADMM CCc1nn(Cc2nnc(C3CC3)n2C2CC2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000825762752 947319991 /nfs/dbraw/zinc/31/99/91/947319991.db2.gz HQVNJKPNZXZCGH-UHFFFAOYSA-N -1 1 381.444 1.400 20 0 GDADMM C[C@@H](C(=O)N(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)c1ccco1 ZINC001573592989 947357750 /nfs/dbraw/zinc/35/77/50/947357750.db2.gz HESRCICOLQDDJI-YPMHNXCESA-N -1 1 382.428 1.702 20 0 GDADMM C[C@@H](C(=O)N(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)c1ccco1 ZINC001573592989 947357762 /nfs/dbraw/zinc/35/77/62/947357762.db2.gz HESRCICOLQDDJI-YPMHNXCESA-N -1 1 382.428 1.702 20 0 GDADMM C[C@@H](C(=O)N(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)C(C)(F)F ZINC001573593073 947362303 /nfs/dbraw/zinc/36/23/03/947362303.db2.gz IHCQMHVWKIHKRR-GXSJLCMTSA-N -1 1 380.403 1.019 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cccc(F)c1Cl ZINC000825933342 947375566 /nfs/dbraw/zinc/37/55/66/947375566.db2.gz CASAAWQMXDPKAD-UHFFFAOYSA-N -1 1 378.799 1.669 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cccc(F)c1Cl ZINC000825933342 947375579 /nfs/dbraw/zinc/37/55/79/947375579.db2.gz CASAAWQMXDPKAD-UHFFFAOYSA-N -1 1 378.799 1.669 20 0 GDADMM C[C@H](C(=O)N(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)c1ccco1 ZINC001573593933 947384397 /nfs/dbraw/zinc/38/43/97/947384397.db2.gz NGXKFLXHBXMTBE-SMDDNHRTSA-N -1 1 382.428 1.702 20 0 GDADMM C[C@H](C(=O)N(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)c1ccco1 ZINC001573593933 947384412 /nfs/dbraw/zinc/38/44/12/947384412.db2.gz NGXKFLXHBXMTBE-SMDDNHRTSA-N -1 1 382.428 1.702 20 0 GDADMM C[C@@H](C(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nn1)c1cccc(F)c1 ZINC001573604067 947502035 /nfs/dbraw/zinc/50/20/35/947502035.db2.gz RJIKUHOVZJTKQU-GFCCVEGCSA-N -1 1 384.419 1.494 20 0 GDADMM C[C@@H](C(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nn1)c1cccc(F)c1 ZINC001573604067 947502046 /nfs/dbraw/zinc/50/20/46/947502046.db2.gz RJIKUHOVZJTKQU-GFCCVEGCSA-N -1 1 384.419 1.494 20 0 GDADMM C[C@H](C(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1)c1ccc(Cl)cc1 ZINC001573604269 947508177 /nfs/dbraw/zinc/50/81/77/947508177.db2.gz NECOXZBMKYSNDC-NSHDSACASA-N -1 1 386.847 1.984 20 0 GDADMM C[C@H](C(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1)c1ccc(Cl)cc1 ZINC001573604269 947508185 /nfs/dbraw/zinc/50/81/85/947508185.db2.gz NECOXZBMKYSNDC-NSHDSACASA-N -1 1 386.847 1.984 20 0 GDADMM CC(C)N(CCN(C)c1ccc(-c2nnn[n-]2)nn1)C(=O)[C@H](C)[C@@H]1CCCO1 ZINC001573604718 947516305 /nfs/dbraw/zinc/51/63/05/947516305.db2.gz QHHJDGUMNIWDBU-HIFRSBDPSA-N -1 1 388.476 1.145 20 0 GDADMM CC(C)N(CCN(C)c1ccc(-c2nn[n-]n2)nn1)C(=O)[C@H](C)[C@@H]1CCCO1 ZINC001573604718 947516310 /nfs/dbraw/zinc/51/63/10/947516310.db2.gz QHHJDGUMNIWDBU-HIFRSBDPSA-N -1 1 388.476 1.145 20 0 GDADMM C[C@@H](C(=O)N(CCO)CCNc1cnc(-c2nnn[n-]2)cn1)[C@@H](C)C(C)(C)C ZINC001573607111 947541326 /nfs/dbraw/zinc/54/13/26/947541326.db2.gz FREOEMURNRVUIH-CHWSQXEVSA-N -1 1 390.492 1.208 20 0 GDADMM C[C@@H](C(=O)N(CCO)CCNc1cnc(-c2nn[n-]n2)cn1)[C@@H](C)C(C)(C)C ZINC001573607111 947541338 /nfs/dbraw/zinc/54/13/38/947541338.db2.gz FREOEMURNRVUIH-CHWSQXEVSA-N -1 1 390.492 1.208 20 0 GDADMM COc1cc(CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)ccc1OC(F)F ZINC000826179505 947556509 /nfs/dbraw/zinc/55/65/09/947556509.db2.gz QSGVFDCFNPYBAT-UHFFFAOYSA-N -1 1 394.338 1.632 20 0 GDADMM COc1cc(CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)ccc1OC(F)F ZINC000826179505 947556514 /nfs/dbraw/zinc/55/65/14/947556514.db2.gz QSGVFDCFNPYBAT-UHFFFAOYSA-N -1 1 394.338 1.632 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C(C)(C)C1)C(F)(F)F ZINC001573614297 947581536 /nfs/dbraw/zinc/58/15/36/947581536.db2.gz LOTRFNKJJNCJHP-PSASIEDQSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C(C)(C)C1)C(F)(F)F ZINC001573614297 947581546 /nfs/dbraw/zinc/58/15/46/947581546.db2.gz LOTRFNKJJNCJHP-PSASIEDQSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@H](C(=O)N1CC[C@](C)(CNc2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001573615081 947597457 /nfs/dbraw/zinc/59/74/57/947597457.db2.gz QMCKIHQLVHMECP-FZKQIMNGSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@H](C(=O)N1CC[C@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001573615081 947597466 /nfs/dbraw/zinc/59/74/66/947597466.db2.gz QMCKIHQLVHMECP-FZKQIMNGSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)C1CCC1 ZINC001573615614 947606005 /nfs/dbraw/zinc/60/60/05/947606005.db2.gz TYOUOKHQEQRWNE-AEGPPILISA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1)c1ccco1 ZINC001573615691 947609232 /nfs/dbraw/zinc/60/92/32/947609232.db2.gz JUEPBRIMHOJPNB-OLZOCXBDSA-N -1 1 382.428 1.338 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1)c1ccco1 ZINC001573615691 947609234 /nfs/dbraw/zinc/60/92/34/947609234.db2.gz JUEPBRIMHOJPNB-OLZOCXBDSA-N -1 1 382.428 1.338 20 0 GDADMM C=Cc1ccc(C(=O)N(C)[C@@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)cc1 ZINC001573352225 947629785 /nfs/dbraw/zinc/62/97/85/947629785.db2.gz ZCOOUOOKMMQDJX-MRXNPFEDSA-N -1 1 390.451 1.959 20 0 GDADMM C=Cc1ccc(C(=O)N(C)[C@@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573352225 947629789 /nfs/dbraw/zinc/62/97/89/947629789.db2.gz ZCOOUOOKMMQDJX-MRXNPFEDSA-N -1 1 390.451 1.959 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)cc1 ZINC001573354769 947636003 /nfs/dbraw/zinc/63/60/03/947636003.db2.gz HKJJRBFLJKEOSV-AWEZNQCLSA-N -1 1 376.424 1.556 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)cc1 ZINC001573354769 947636006 /nfs/dbraw/zinc/63/60/06/947636006.db2.gz HKJJRBFLJKEOSV-AWEZNQCLSA-N -1 1 376.424 1.556 20 0 GDADMM COc1cccc(N2CCC[C@@H](NC(=O)Cc3noc(C)c3-c3nnn[n-]3)C2)c1 ZINC000826216956 947636307 /nfs/dbraw/zinc/63/63/07/947636307.db2.gz SXCCSRZQMXVMJB-CYBMUJFWSA-N -1 1 397.439 1.499 20 0 GDADMM COc1cccc(N2CCC[C@@H](NC(=O)Cc3noc(C)c3-c3nn[n-]n3)C2)c1 ZINC000826216956 947636314 /nfs/dbraw/zinc/63/63/14/947636314.db2.gz SXCCSRZQMXVMJB-CYBMUJFWSA-N -1 1 397.439 1.499 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@H](C)CN(C)c2nc(C)cc(-c3nnn[n-]3)n2)cc1 ZINC001573355843 947646320 /nfs/dbraw/zinc/64/63/20/947646320.db2.gz QRLXEJGUDFHNBC-ZDUSSCGKSA-N -1 1 378.440 1.863 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@H](C)CN(C)c2nc(C)cc(-c3nn[n-]n3)n2)cc1 ZINC001573355843 947646325 /nfs/dbraw/zinc/64/63/25/947646325.db2.gz QRLXEJGUDFHNBC-ZDUSSCGKSA-N -1 1 378.440 1.863 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)cc1 ZINC001573356650 947651977 /nfs/dbraw/zinc/65/19/77/947651977.db2.gz ZPLURZUYAHXNOT-DOTOQJQBSA-N -1 1 388.435 1.651 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]32)cc1 ZINC001573356650 947651988 /nfs/dbraw/zinc/65/19/88/947651988.db2.gz ZPLURZUYAHXNOT-DOTOQJQBSA-N -1 1 388.435 1.651 20 0 GDADMM C[C@H](C(=O)N1CCC(N(C)c2ccc(-c3nnn[n-]3)nn2)CC1)C1CCCC1 ZINC001573618817 947654362 /nfs/dbraw/zinc/65/43/62/947654362.db2.gz SISJXNIFCOJOLE-ZDUSSCGKSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](C(=O)N1CCC(N(C)c2ccc(-c3nn[n-]n3)nn2)CC1)C1CCCC1 ZINC001573618817 947654372 /nfs/dbraw/zinc/65/43/72/947654372.db2.gz SISJXNIFCOJOLE-ZDUSSCGKSA-N -1 1 384.488 1.910 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCCC3(C2)OCCO3)cc1-c1nn[n-]n1 ZINC000826229655 947673037 /nfs/dbraw/zinc/67/30/37/947673037.db2.gz MHPZYELDUSKVKA-SECBINFHSA-N -1 1 392.441 1.105 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CN(C)c2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001573620156 947676190 /nfs/dbraw/zinc/67/61/90/947676190.db2.gz YRUNCSCIXXJNHG-QWHCGFSZSA-N -1 1 382.428 1.338 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CN(C)c2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001573620156 947676197 /nfs/dbraw/zinc/67/61/97/947676197.db2.gz YRUNCSCIXXJNHG-QWHCGFSZSA-N -1 1 382.428 1.338 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCC[C@H]1CCO[C@H](C)C1 ZINC000826233134 947682086 /nfs/dbraw/zinc/68/20/86/947682086.db2.gz VFZCOVFCEJCWSW-RISCZKNCSA-N -1 1 388.472 1.838 20 0 GDADMM C[C@@H](C(=O)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1)c1cccs1 ZINC001573623757 947692610 /nfs/dbraw/zinc/69/26/10/947692610.db2.gz IKHOLKZDZZNXGB-LLVKDONJSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@@H](C(=O)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1)c1cccs1 ZINC001573623757 947692620 /nfs/dbraw/zinc/69/26/20/947692620.db2.gz IKHOLKZDZZNXGB-LLVKDONJSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573627640 947728891 /nfs/dbraw/zinc/72/88/91/947728891.db2.gz DDVGRWIJGHXKDH-NXEZZACHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001573628149 947745755 /nfs/dbraw/zinc/74/57/55/947745755.db2.gz FPYHGVDVLRUFPV-KGLIPLIRSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001573628149 947745771 /nfs/dbraw/zinc/74/57/71/947745771.db2.gz FPYHGVDVLRUFPV-KGLIPLIRSA-N -1 1 381.444 1.370 20 0 GDADMM CC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1F ZINC001573367105 947753423 /nfs/dbraw/zinc/75/34/23/947753423.db2.gz XGRAHTIJGVWVCW-OAHLLOKOSA-N -1 1 375.385 1.614 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@@H](C)[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573369921 947779792 /nfs/dbraw/zinc/77/97/92/947779792.db2.gz ZKQLXJCLAAFZPU-OCCSQVGLSA-N -1 1 386.460 1.313 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@@H](C)[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573369921 947779800 /nfs/dbraw/zinc/77/98/00/947779800.db2.gz ZKQLXJCLAAFZPU-OCCSQVGLSA-N -1 1 386.460 1.313 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(N3CCOCC3)c(C)c2)c1-c1nnn[n-]1 ZINC000826270273 947781362 /nfs/dbraw/zinc/78/13/62/947781362.db2.gz SPQVFEZUPSXPFB-UHFFFAOYSA-N -1 1 383.412 1.489 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(N3CCOCC3)c(C)c2)c1-c1nn[n-]n1 ZINC000826270273 947781368 /nfs/dbraw/zinc/78/13/68/947781368.db2.gz SPQVFEZUPSXPFB-UHFFFAOYSA-N -1 1 383.412 1.489 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1)n1cccc1 ZINC001573630274 947790844 /nfs/dbraw/zinc/79/08/44/947790844.db2.gz XMHCDIRBKSYICB-KBPBESRZSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1)n1cccc1 ZINC001573630274 947790849 /nfs/dbraw/zinc/79/08/49/947790849.db2.gz XMHCDIRBKSYICB-KBPBESRZSA-N -1 1 381.444 1.147 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CCC[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573374108 947803456 /nfs/dbraw/zinc/80/34/56/947803456.db2.gz HRBNBPDROARQMW-UONOGXRCSA-N -1 1 386.460 1.564 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CCC[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573374108 947803466 /nfs/dbraw/zinc/80/34/66/947803466.db2.gz HRBNBPDROARQMW-UONOGXRCSA-N -1 1 386.460 1.564 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)c1ccco1 ZINC001573632309 947811902 /nfs/dbraw/zinc/81/19/02/947811902.db2.gz ZYTLUAGXCCHQEB-QWHCGFSZSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001573632309 947811907 /nfs/dbraw/zinc/81/19/07/947811907.db2.gz ZYTLUAGXCCHQEB-QWHCGFSZSA-N -1 1 382.428 1.481 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@@H]([C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573375705 947825941 /nfs/dbraw/zinc/82/59/41/947825941.db2.gz UBSJJQYWJBWNKE-ZIAGYGMSSA-N -1 1 386.460 1.455 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@@H]([C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573375705 947825947 /nfs/dbraw/zinc/82/59/47/947825947.db2.gz UBSJJQYWJBWNKE-ZIAGYGMSSA-N -1 1 386.460 1.455 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)CC1(C)C ZINC001573381221 947871004 /nfs/dbraw/zinc/87/10/04/947871004.db2.gz QWQMAQKCVVGPOL-ZDUSSCGKSA-N -1 1 386.460 1.137 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)CC1(C)C ZINC001573381221 947871013 /nfs/dbraw/zinc/87/10/13/947871013.db2.gz QWQMAQKCVVGPOL-ZDUSSCGKSA-N -1 1 386.460 1.137 20 0 GDADMM CC(=O)CCCC(=O)NC[C@@H](C)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573381378 947873039 /nfs/dbraw/zinc/87/30/39/947873039.db2.gz UKUNHFWTSXXDJH-MRVPVSSYSA-N -1 1 385.881 1.900 20 0 GDADMM CC(=O)CCCC(=O)NC[C@@H]1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573381506 947874335 /nfs/dbraw/zinc/87/43/35/947874335.db2.gz WPPBVESJQUCGLN-AWEZNQCLSA-N -1 1 386.460 1.057 20 0 GDADMM CC(=O)CCCC(=O)NC[C@@H]1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573381506 947874344 /nfs/dbraw/zinc/87/43/44/947874344.db2.gz WPPBVESJQUCGLN-AWEZNQCLSA-N -1 1 386.460 1.057 20 0 GDADMM CC(=O)CCCC(=O)NCCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573383199 947890423 /nfs/dbraw/zinc/89/04/23/947890423.db2.gz PIFKMRONAQIKSK-UHFFFAOYSA-N -1 1 386.460 1.139 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1)C(C)(F)F ZINC001573650490 947911104 /nfs/dbraw/zinc/91/11/04/947911104.db2.gz CHWIJTQVAIZQBG-UTUOFQBUSA-N -1 1 392.414 1.233 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1)C(C)(F)F ZINC001573650490 947911109 /nfs/dbraw/zinc/91/11/09/947911109.db2.gz CHWIJTQVAIZQBG-UTUOFQBUSA-N -1 1 392.414 1.233 20 0 GDADMM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1)c1ccsc1 ZINC001573651959 947924735 /nfs/dbraw/zinc/92/47/35/947924735.db2.gz RZDZWJAOFRPHSW-DRZSPHRISA-N -1 1 382.453 1.311 20 0 GDADMM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1)c1ccsc1 ZINC001573651959 947924739 /nfs/dbraw/zinc/92/47/39/947924739.db2.gz RZDZWJAOFRPHSW-DRZSPHRISA-N -1 1 382.453 1.311 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1)c1ccsc1 ZINC001573651960 947926273 /nfs/dbraw/zinc/92/62/73/947926273.db2.gz RZDZWJAOFRPHSW-WXHSDQCUSA-N -1 1 382.453 1.311 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1)c1ccsc1 ZINC001573651960 947926279 /nfs/dbraw/zinc/92/62/79/947926279.db2.gz RZDZWJAOFRPHSW-WXHSDQCUSA-N -1 1 382.453 1.311 20 0 GDADMM C[C@@H](C(=O)N[C@](C)(CNc1cncc(-c2nnn[n-]2)n1)C1CC1)C(C)(F)F ZINC001573652202 947931461 /nfs/dbraw/zinc/93/14/61/947931461.db2.gz BIENMPBVLFICGO-BJOHPYRUSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@@H](C(=O)N[C@](C)(CNc1cncc(-c2nn[n-]n2)n1)C1CC1)C(C)(F)F ZINC001573652202 947931464 /nfs/dbraw/zinc/93/14/64/947931464.db2.gz BIENMPBVLFICGO-BJOHPYRUSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@@H](C(=O)N[C@@](C)(CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)C(C)(F)F ZINC001573652581 947942636 /nfs/dbraw/zinc/94/26/36/947942636.db2.gz DURUPEKEZCBDHY-VFZGTOFNSA-N -1 1 380.403 1.067 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C(C)(C)C)c1ccco1 ZINC001573653124 947950306 /nfs/dbraw/zinc/95/03/06/947950306.db2.gz JHAXVNMVTIDLEI-RISCZKNCSA-N -1 1 384.444 1.996 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C(C)(C)C)c1ccco1 ZINC001573653124 947950314 /nfs/dbraw/zinc/95/03/14/947950314.db2.gz JHAXVNMVTIDLEI-RISCZKNCSA-N -1 1 384.444 1.996 20 0 GDADMM C[C@H](C(=O)N[C@@](C)(CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)c1ccco1 ZINC001573653414 947957844 /nfs/dbraw/zinc/95/78/44/947957844.db2.gz LKWHFHNCFAMVLW-VOJFVSQTSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](C(=O)N[C@@](C)(CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)c1ccco1 ZINC001573653414 947957850 /nfs/dbraw/zinc/95/78/50/947957850.db2.gz LKWHFHNCFAMVLW-VOJFVSQTSA-N -1 1 382.428 1.750 20 0 GDADMM Cc1onc(CC(=O)N2CCC(OCCc3ccccc3)CC2)c1-c1nnn[n-]1 ZINC000826343945 947999590 /nfs/dbraw/zinc/99/95/90/947999590.db2.gz RTZDYIGQZGALBJ-UHFFFAOYSA-N -1 1 396.451 1.956 20 0 GDADMM Cc1onc(CC(=O)N2CCC(OCCc3ccccc3)CC2)c1-c1nn[n-]n1 ZINC000826343945 947999598 /nfs/dbraw/zinc/99/95/98/947999598.db2.gz RTZDYIGQZGALBJ-UHFFFAOYSA-N -1 1 396.451 1.956 20 0 GDADMM Cc1onc(CC(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000826344334 948003858 /nfs/dbraw/zinc/00/38/58/948003858.db2.gz DZGJNQNYWORULR-JTQLQIEISA-N -1 1 391.432 1.173 20 0 GDADMM Cc1onc(CC(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000826344334 948003869 /nfs/dbraw/zinc/00/38/69/948003869.db2.gz DZGJNQNYWORULR-JTQLQIEISA-N -1 1 391.432 1.173 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)c1-c1nnn[n-]1 ZINC000826344514 948010074 /nfs/dbraw/zinc/01/00/74/948010074.db2.gz KCUPOORYLGGFKT-GDBMZVCRSA-N -1 1 382.424 1.820 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)c1-c1nn[n-]n1 ZINC000826344514 948010080 /nfs/dbraw/zinc/01/00/80/948010080.db2.gz KCUPOORYLGGFKT-GDBMZVCRSA-N -1 1 382.424 1.820 20 0 GDADMM Cc1onc(CC(=O)N[C@H](C)c2ccc(N3CCOC3=O)cc2)c1-c1nnn[n-]1 ZINC000826345264 948020376 /nfs/dbraw/zinc/02/03/76/948020376.db2.gz HSMSPJAWWNQQFW-SNVBAGLBSA-N -1 1 397.395 1.540 20 0 GDADMM Cc1onc(CC(=O)N[C@H](C)c2ccc(N3CCOC3=O)cc2)c1-c1nn[n-]n1 ZINC000826345264 948020384 /nfs/dbraw/zinc/02/03/84/948020384.db2.gz HSMSPJAWWNQQFW-SNVBAGLBSA-N -1 1 397.395 1.540 20 0 GDADMM CC(C(=O)N[C@@]12CCC[C@@H]1N(c1nccnc1-c1nnn[n-]1)CC2)=C1CCC1 ZINC001573662727 948027788 /nfs/dbraw/zinc/02/77/88/948027788.db2.gz FIHGAHCSUQTMHB-IFXJQAMLSA-N -1 1 380.456 1.775 20 0 GDADMM CC(C(=O)N[C@@]12CCC[C@@H]1N(c1nccnc1-c1nn[n-]n1)CC2)=C1CCC1 ZINC001573662727 948027799 /nfs/dbraw/zinc/02/77/99/948027799.db2.gz FIHGAHCSUQTMHB-IFXJQAMLSA-N -1 1 380.456 1.775 20 0 GDADMM Cc1onc(CC(=O)N[C@H](C)CCc2ccc3c(c2)OCO3)c1-c1nnn[n-]1 ZINC000826345833 948030345 /nfs/dbraw/zinc/03/03/45/948030345.db2.gz VLHQEFXXLQODII-SNVBAGLBSA-N -1 1 384.396 1.572 20 0 GDADMM Cc1onc(CC(=O)N[C@H](C)CCc2ccc3c(c2)OCO3)c1-c1nn[n-]n1 ZINC000826345833 948030351 /nfs/dbraw/zinc/03/03/51/948030351.db2.gz VLHQEFXXLQODII-SNVBAGLBSA-N -1 1 384.396 1.572 20 0 GDADMM C[C@H](C(=O)N[C@]12CCC[C@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2)C(C)(F)F ZINC001573663058 948031492 /nfs/dbraw/zinc/03/14/92/948031492.db2.gz IQBWIAUWGPPGKE-HSOHIQCKSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H](C(=O)N[C@]12CCC[C@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2)C(C)(F)F ZINC001573663058 948031501 /nfs/dbraw/zinc/03/15/01/948031501.db2.gz IQBWIAUWGPPGKE-HSOHIQCKSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H](C(=O)N[C@@]12CCC[C@H]1N(c1nccnc1-c1nnn[n-]1)CC2)C(C)(F)F ZINC001573663181 948032433 /nfs/dbraw/zinc/03/24/33/948032433.db2.gz KCPLMCAIIBAHTQ-CZIZLABSSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H](C(=O)N[C@@]12CCC[C@H]1N(c1nccnc1-c1nn[n-]n1)CC2)C(C)(F)F ZINC001573663181 948032441 /nfs/dbraw/zinc/03/24/41/948032441.db2.gz KCPLMCAIIBAHTQ-CZIZLABSSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H](C(=O)N[C@@]12CCC[C@@H]1N(c1nccnc1-c1nnn[n-]1)CC2)C(C)(F)F ZINC001573663186 948033007 /nfs/dbraw/zinc/03/30/07/948033007.db2.gz KCPLMCAIIBAHTQ-VGTOOOLASA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H](C(=O)N[C@@]12CCC[C@@H]1N(c1nccnc1-c1nn[n-]n1)CC2)C(C)(F)F ZINC001573663186 948033013 /nfs/dbraw/zinc/03/30/13/948033013.db2.gz KCPLMCAIIBAHTQ-VGTOOOLASA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1)C(F)(F)F ZINC001573663897 948043831 /nfs/dbraw/zinc/04/38/31/948043831.db2.gz BISFUASOYIQCBB-NXEZZACHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1)C(F)(F)F ZINC001573663897 948043841 /nfs/dbraw/zinc/04/38/41/948043841.db2.gz BISFUASOYIQCBB-NXEZZACHSA-N -1 1 384.366 1.330 20 0 GDADMM Cc1onc(CC(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)c1-c1nnn[n-]1 ZINC000826347417 948054243 /nfs/dbraw/zinc/05/42/43/948054243.db2.gz QGQOBUCAHONJQW-GFCCVEGCSA-N -1 1 396.329 1.574 20 0 GDADMM Cc1onc(CC(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)c1-c1nn[n-]n1 ZINC000826347417 948054249 /nfs/dbraw/zinc/05/42/49/948054249.db2.gz QGQOBUCAHONJQW-GFCCVEGCSA-N -1 1 396.329 1.574 20 0 GDADMM Cc1onc(CC(=O)NCCc2nc3c(cccc3F)n2C)c1-c1nnn[n-]1 ZINC000826347787 948061840 /nfs/dbraw/zinc/06/18/40/948061840.db2.gz GCDNNMPHPUBHIG-UHFFFAOYSA-N -1 1 384.375 1.090 20 0 GDADMM Cc1onc(CC(=O)NCCc2nc3c(cccc3F)n2C)c1-c1nn[n-]n1 ZINC000826347787 948061849 /nfs/dbraw/zinc/06/18/49/948061849.db2.gz GCDNNMPHPUBHIG-UHFFFAOYSA-N -1 1 384.375 1.090 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccsc1 ZINC001573665050 948068002 /nfs/dbraw/zinc/06/80/02/948068002.db2.gz HZRDIJAFRJQQED-WCQYABFASA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccsc1 ZINC001573665050 948068008 /nfs/dbraw/zinc/06/80/08/948068008.db2.gz HZRDIJAFRJQQED-WCQYABFASA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001573665465 948075215 /nfs/dbraw/zinc/07/52/15/948075215.db2.gz LEUZAFCEISZUEY-RLAWYHOSSA-N -1 1 384.488 1.955 20 0 GDADMM C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001573665465 948075223 /nfs/dbraw/zinc/07/52/23/948075223.db2.gz LEUZAFCEISZUEY-RLAWYHOSSA-N -1 1 384.488 1.955 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)c1-c1nnn[n-]1 ZINC000826348543 948076091 /nfs/dbraw/zinc/07/60/91/948076091.db2.gz RNPDDCRBTBOWBY-UHFFFAOYSA-N -1 1 389.803 1.700 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)c1-c1nn[n-]n1 ZINC000826348543 948076102 /nfs/dbraw/zinc/07/61/02/948076102.db2.gz RNPDDCRBTBOWBY-UHFFFAOYSA-N -1 1 389.803 1.700 20 0 GDADMM C[C@H](C(=O)NC1CCC(Nc2nccnc2-c2nnn[n-]2)CC1)C(F)(F)F ZINC001573666251 948083945 /nfs/dbraw/zinc/08/39/45/948083945.db2.gz RNHKNNQHWMBJHA-XNWIYYODSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@H](C(=O)NC1CCC(Nc2nccnc2-c2nn[n-]n2)CC1)C(F)(F)F ZINC001573666251 948083955 /nfs/dbraw/zinc/08/39/55/948083955.db2.gz RNHKNNQHWMBJHA-XNWIYYODSA-N -1 1 384.366 1.694 20 0 GDADMM Cc1onc(CC(=O)Nc2ccccc2N2C[C@H](C)O[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000826349084 948088314 /nfs/dbraw/zinc/08/83/14/948088314.db2.gz SQDJGJHWBMILKN-RYUDHWBXSA-N -1 1 397.439 1.958 20 0 GDADMM Cc1onc(CC(=O)Nc2ccccc2N2C[C@H](C)O[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000826349084 948088321 /nfs/dbraw/zinc/08/83/21/948088321.db2.gz SQDJGJHWBMILKN-RYUDHWBXSA-N -1 1 397.439 1.958 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1)C1CCCC1 ZINC001573666629 948089428 /nfs/dbraw/zinc/08/94/28/948089428.db2.gz URPZHFLMAIFZCH-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1)C1CCCC1 ZINC001573666629 948089440 /nfs/dbraw/zinc/08/94/40/948089440.db2.gz URPZHFLMAIFZCH-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)c1ccco1 ZINC001573666867 948094336 /nfs/dbraw/zinc/09/43/36/948094336.db2.gz WXWPWNNZQQBSOV-STQMWFEESA-N -1 1 382.428 1.529 20 0 GDADMM CC(=O)N(Cc1ccccn1)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573415581 948112700 /nfs/dbraw/zinc/11/27/00/948112700.db2.gz YKXZQCDQQJCBQC-UHFFFAOYSA-N -1 1 379.428 1.069 20 0 GDADMM CC(=O)N(Cc1ccccn1)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573415581 948112706 /nfs/dbraw/zinc/11/27/06/948112706.db2.gz YKXZQCDQQJCBQC-UHFFFAOYSA-N -1 1 379.428 1.069 20 0 GDADMM CC(C(=O)N[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C[C@@H]1O)=C1CCC1 ZINC001573676785 948128588 /nfs/dbraw/zinc/12/85/88/948128588.db2.gz VLLMBOUSBRVHGJ-STQMWFEESA-N -1 1 389.485 1.188 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)CC(C)(C)C1)C1CC1 ZINC001573677251 948134912 /nfs/dbraw/zinc/13/49/12/948134912.db2.gz WZHUOUWKOKOASL-GXTWGEPZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)CC(C)(C)C1)C1CC1 ZINC001573677251 948134916 /nfs/dbraw/zinc/13/49/16/948134916.db2.gz WZHUOUWKOKOASL-GXTWGEPZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)N[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C)C(F)(F)F ZINC001573677831 948141208 /nfs/dbraw/zinc/14/12/08/948141208.db2.gz FOUFQCIJFAGIRM-SCZZXKLOSA-N -1 1 384.366 1.186 20 0 GDADMM C[C@H](C(=O)N[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C)C(F)(F)F ZINC001573677831 948141213 /nfs/dbraw/zinc/14/12/13/948141213.db2.gz FOUFQCIJFAGIRM-SCZZXKLOSA-N -1 1 384.366 1.186 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C)C(F)(F)F ZINC001573677832 948141626 /nfs/dbraw/zinc/14/16/26/948141626.db2.gz FOUFQCIJFAGIRM-WCBMZHEXSA-N -1 1 384.366 1.186 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C)C(F)(F)F ZINC001573677832 948141634 /nfs/dbraw/zinc/14/16/34/948141634.db2.gz FOUFQCIJFAGIRM-WCBMZHEXSA-N -1 1 384.366 1.186 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C)C1CCCC1 ZINC001573677806 948142203 /nfs/dbraw/zinc/14/22/03/948142203.db2.gz FHKUOSKBJIEAIL-TZMCWYRMSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C)C1CCCC1 ZINC001573678364 948149679 /nfs/dbraw/zinc/14/96/79/948149679.db2.gz HFMQIEOTBVQTAJ-IUODEOHRSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C)C1CCCC1 ZINC001573678364 948149682 /nfs/dbraw/zinc/14/96/82/948149682.db2.gz HFMQIEOTBVQTAJ-IUODEOHRSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)NC[C@@H](CO)Nc1nc(-c2nn[n-]n2)c(Cl)s1)C(C)(C)C ZINC001573678578 948152191 /nfs/dbraw/zinc/15/21/91/948152191.db2.gz FHOACOLXWFDDBT-YUMQZZPRSA-N -1 1 387.897 1.548 20 0 GDADMM C[C@@H](C(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1)c1ccccc1F ZINC001573679646 948166186 /nfs/dbraw/zinc/16/61/86/948166186.db2.gz MLECWUHJUDEQTB-NWDGAFQWSA-N -1 1 384.419 1.540 20 0 GDADMM CC(=O)N1CC[C@@H](NC(=O)Nc2cccc(-c3nnn[n-]3)n2)c2ccccc21 ZINC001573434493 948215401 /nfs/dbraw/zinc/21/54/01/948215401.db2.gz STLQGQRHKOTVCS-CYBMUJFWSA-N -1 1 378.396 1.881 20 0 GDADMM CC(=O)N1CC[C@@H](NC(=O)Nc2cccc(-c3nn[n-]n3)n2)c2ccccc21 ZINC001573434493 948215411 /nfs/dbraw/zinc/21/54/11/948215411.db2.gz STLQGQRHKOTVCS-CYBMUJFWSA-N -1 1 378.396 1.881 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCC1)c1ccsc1 ZINC001573691729 948246520 /nfs/dbraw/zinc/24/65/20/948246520.db2.gz ILOLWWXXISFSHF-LLVKDONJSA-N -1 1 384.469 1.973 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCC1)c1ccsc1 ZINC001573691729 948246530 /nfs/dbraw/zinc/24/65/30/948246530.db2.gz ILOLWWXXISFSHF-LLVKDONJSA-N -1 1 384.469 1.973 20 0 GDADMM CC(C(=O)NC[C@@]1(O)CCN(c2snc(C)c2-c2nn[n-]n2)C1)=C1CCC1 ZINC001573694337 948293786 /nfs/dbraw/zinc/29/37/86/948293786.db2.gz CQHZFURTXLQNAQ-KRWDZBQOSA-N -1 1 389.485 1.189 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001573702549 948347601 /nfs/dbraw/zinc/34/76/01/948347601.db2.gz FDBZRDWGZCVOCY-QWHCGFSZSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573703862 948360103 /nfs/dbraw/zinc/36/01/03/948360103.db2.gz NFBXHHPSUWSSAC-MNOVXSKESA-N -1 1 380.403 1.281 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)c1ccsc1 ZINC001573704132 948365275 /nfs/dbraw/zinc/36/52/75/948365275.db2.gz PKCKHAUKXOKWOP-WCQYABFASA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)c1ccsc1 ZINC001573704132 948365284 /nfs/dbraw/zinc/36/52/84/948365284.db2.gz PKCKHAUKXOKWOP-WCQYABFASA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001573704645 948378991 /nfs/dbraw/zinc/37/89/91/948378991.db2.gz UEBHQPDSNMSXRU-UWVGGRQHSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001573704645 948378997 /nfs/dbraw/zinc/37/89/97/948378997.db2.gz UEBHQPDSNMSXRU-UWVGGRQHSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@H](C(=O)NCCC1(CNc2ccnc(-c3nn[n-]n3)n2)CC1)C1CCCC1 ZINC001573704848 948384491 /nfs/dbraw/zinc/38/44/91/948384491.db2.gz BEOHUPCJNYPFRG-ZDUSSCGKSA-N -1 1 384.488 1.603 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001573705454 948399562 /nfs/dbraw/zinc/39/95/62/948399562.db2.gz WXRQSWDUNLCQRU-UONOGXRCSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001573705454 948399571 /nfs/dbraw/zinc/39/95/71/948399571.db2.gz WXRQSWDUNLCQRU-UONOGXRCSA-N -1 1 381.444 1.052 20 0 GDADMM O=S(=O)(NC[C@@H]1COC2(CCCCC2)O1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826490685 948403558 /nfs/dbraw/zinc/40/35/58/948403558.db2.gz DJZKKCVOTSDZDE-GFCCVEGCSA-N -1 1 397.432 1.360 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001573705728 948407831 /nfs/dbraw/zinc/40/78/31/948407831.db2.gz XYIKDJBZSLCWBK-VHSXEESVSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001573705728 948407836 /nfs/dbraw/zinc/40/78/36/948407836.db2.gz XYIKDJBZSLCWBK-VHSXEESVSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](C(=O)NCCC1(CNc2ccc(-c3nnn[n-]3)nn2)CC1)C(C)(F)F ZINC001573706648 948422442 /nfs/dbraw/zinc/42/24/42/948422442.db2.gz KAVSYNVPXJWQHQ-JTQLQIEISA-N -1 1 380.403 1.646 20 0 GDADMM C[C@@H](C(=O)NCCC1(CNc2ccc(-c3nn[n-]n3)nn2)CC1)C(C)(F)F ZINC001573706648 948422446 /nfs/dbraw/zinc/42/24/46/948422446.db2.gz KAVSYNVPXJWQHQ-JTQLQIEISA-N -1 1 380.403 1.646 20 0 GDADMM C[C@@H](C(=O)NCCC1CCN(c2nccnc2-c2nnn[n-]2)CC1)C1CCC1 ZINC001573713768 948467981 /nfs/dbraw/zinc/46/79/81/948467981.db2.gz BMKBGPIGKLHIKL-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NCCC1CCN(c2nccnc2-c2nn[n-]n2)CC1)C1CCC1 ZINC001573713768 948467985 /nfs/dbraw/zinc/46/79/85/948467985.db2.gz BMKBGPIGKLHIKL-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C(=O)NCC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)=C1CCCC1 ZINC001573714065 948468734 /nfs/dbraw/zinc/46/87/34/948468734.db2.gz CZIZZIDQZVQOPQ-AWEZNQCLSA-N -1 1 382.472 1.880 20 0 GDADMM CC(C(=O)NCC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)=C1CCCC1 ZINC001573714065 948468739 /nfs/dbraw/zinc/46/87/39/948468739.db2.gz CZIZZIDQZVQOPQ-AWEZNQCLSA-N -1 1 382.472 1.880 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1nccnc1-c1nnn[n-]1)c1ccc(F)c(F)c1 ZINC001573720903 948536652 /nfs/dbraw/zinc/53/66/52/948536652.db2.gz SQFDSSXGLWKONJ-JTQLQIEISA-N -1 1 388.382 1.291 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1nccnc1-c1nn[n-]n1)c1ccc(F)c(F)c1 ZINC001573720903 948536657 /nfs/dbraw/zinc/53/66/57/948536657.db2.gz SQFDSSXGLWKONJ-JTQLQIEISA-N -1 1 388.382 1.291 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)C(C)(F)F ZINC001573727967 948557878 /nfs/dbraw/zinc/55/78/78/948557878.db2.gz NXBLCDNYWXQRKN-OUAUKWLOSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)C(C)(F)F ZINC001573727967 948557885 /nfs/dbraw/zinc/55/78/85/948557885.db2.gz NXBLCDNYWXQRKN-OUAUKWLOSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cccs1 ZINC001573728683 948563025 /nfs/dbraw/zinc/56/30/25/948563025.db2.gz QLJMQYSSUNHGNM-SDDRHHMPSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cccs1 ZINC001573728683 948563033 /nfs/dbraw/zinc/56/30/33/948563033.db2.gz QLJMQYSSUNHGNM-SDDRHHMPSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)N[C@@H](C)CNc1nc(-c2nn[n-]n2)c(Cl)s1)n1cccn1 ZINC001573732524 948602498 /nfs/dbraw/zinc/60/24/98/948602498.db2.gz QFMKTJKWGFPUHM-JGVFFNPUSA-N -1 1 381.853 1.351 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccsc1 ZINC001573736239 948612377 /nfs/dbraw/zinc/61/23/77/948612377.db2.gz KGJRWESUVPQTKR-DGCLKSJQSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1cncc(-c2nnn[n-]2)n1)C(C)(F)F ZINC001573736223 948613111 /nfs/dbraw/zinc/61/31/11/948613111.db2.gz JGXUSSSNIRJXRD-GMTAPVOTSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1cncc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001573736223 948613114 /nfs/dbraw/zinc/61/31/14/948613114.db2.gz JGXUSSSNIRJXRD-GMTAPVOTSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1)c1cccnc1 ZINC001573740831 948643597 /nfs/dbraw/zinc/64/35/97/948643597.db2.gz TYSDMKSKXBUSMS-CUBALJKWSA-N -1 1 391.439 1.081 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1)c1cccnc1 ZINC001573740831 948643600 /nfs/dbraw/zinc/64/36/00/948643600.db2.gz TYSDMKSKXBUSMS-CUBALJKWSA-N -1 1 391.439 1.081 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CC1)[C@H]1CCCO1 ZINC001573745619 948674205 /nfs/dbraw/zinc/67/42/05/948674205.db2.gz FUWLLTOAJCFNRJ-PWNZVWSESA-N -1 1 386.460 1.311 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CC1)[C@H]1CCCO1 ZINC001573745619 948674208 /nfs/dbraw/zinc/67/42/08/948674208.db2.gz FUWLLTOAJCFNRJ-PWNZVWSESA-N -1 1 386.460 1.311 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575222159 948755107 /nfs/dbraw/zinc/75/51/07/948755107.db2.gz FPDMJLLNSLLRST-WDEREUQCSA-N -1 1 392.414 1.211 20 0 GDADMM CC(F)(F)C1(C(=O)N2CC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001575222781 948758554 /nfs/dbraw/zinc/75/85/54/948758554.db2.gz JTOHKXVEDQYPFG-SNVBAGLBSA-N -1 1 378.387 1.353 20 0 GDADMM CC(F)(F)C1(C(=O)N2CC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001575222781 948758564 /nfs/dbraw/zinc/75/85/64/948758564.db2.gz JTOHKXVEDQYPFG-SNVBAGLBSA-N -1 1 378.387 1.353 20 0 GDADMM CC(C)c1cccc(C(=O)NCC=CCNc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001574416707 948760038 /nfs/dbraw/zinc/76/00/38/948760038.db2.gz DYHURUNRSQPXRQ-ONEGZZNKSA-N -1 1 379.428 1.573 20 0 GDADMM CC(C)c1cccc(C(=O)NCC=CCNc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001574416707 948760049 /nfs/dbraw/zinc/76/00/49/948760049.db2.gz DYHURUNRSQPXRQ-ONEGZZNKSA-N -1 1 379.428 1.573 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cscc1Cl ZINC001574678761 948760319 /nfs/dbraw/zinc/76/03/19/948760319.db2.gz IVYYAVFFSVTHIE-MRVPVSSYSA-N -1 1 378.849 1.992 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cscc1Cl ZINC001574678761 948760326 /nfs/dbraw/zinc/76/03/26/948760326.db2.gz IVYYAVFFSVTHIE-MRVPVSSYSA-N -1 1 378.849 1.992 20 0 GDADMM C[C@@H](CNC(=O)CCc1cc(Cl)cs1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574915749 948770591 /nfs/dbraw/zinc/77/05/91/948770591.db2.gz XJQGILXMDGWMTR-VIFPVBQESA-N -1 1 392.876 1.921 20 0 GDADMM C[C@@H](CNC(=O)CCc1cc(Cl)cs1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574915749 948770605 /nfs/dbraw/zinc/77/06/05/948770605.db2.gz XJQGILXMDGWMTR-VIFPVBQESA-N -1 1 392.876 1.921 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)C(C)(C)CC(F)(F)F ZINC001574679396 948780747 /nfs/dbraw/zinc/78/07/47/948780747.db2.gz UTTWWTSOYOUNAE-SECBINFHSA-N -1 1 386.382 1.942 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)C(C)(C)CC(F)(F)F ZINC001574679396 948780760 /nfs/dbraw/zinc/78/07/60/948780760.db2.gz UTTWWTSOYOUNAE-SECBINFHSA-N -1 1 386.382 1.942 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccnc(C2CC2)c1 ZINC001574679520 948786010 /nfs/dbraw/zinc/78/60/10/948786010.db2.gz XBOJUKHVLQGXEM-LLVKDONJSA-N -1 1 379.428 1.550 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccnc(C2CC2)c1 ZINC001574679520 948786023 /nfs/dbraw/zinc/78/60/23/948786023.db2.gz XBOJUKHVLQGXEM-LLVKDONJSA-N -1 1 379.428 1.550 20 0 GDADMM CC(F)(F)CC(=O)NC1CC2(C1)CC(Nc1cnc(-c3nnn[n-]3)cn1)C2 ZINC001575224563 948787112 /nfs/dbraw/zinc/78/71/12/948787112.db2.gz PBOIAUKXWYNTAE-UHFFFAOYSA-N -1 1 378.387 1.541 20 0 GDADMM CC(F)(F)CC(=O)NC1CC2(C1)CC(Nc1cnc(-c3nn[n-]n3)cn1)C2 ZINC001575224563 948787125 /nfs/dbraw/zinc/78/71/25/948787125.db2.gz PBOIAUKXWYNTAE-UHFFFAOYSA-N -1 1 378.387 1.541 20 0 GDADMM CC(C)[C@@H](F)C(=O)N[C@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001574080362 948789234 /nfs/dbraw/zinc/78/92/34/948789234.db2.gz PUSWSDXETGZYKQ-JHJVBQTASA-N -1 1 376.440 1.738 20 0 GDADMM CC(C)[C@@H](F)C(=O)N[C@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001574080362 948789249 /nfs/dbraw/zinc/78/92/49/948789249.db2.gz PUSWSDXETGZYKQ-JHJVBQTASA-N -1 1 376.440 1.738 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccc(N(C)C)cc1 ZINC001574679901 948792389 /nfs/dbraw/zinc/79/23/89/948792389.db2.gz BDFYAZZXINSKBC-LBPRGKRZSA-N -1 1 381.444 1.343 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccc(N(C)C)cc1 ZINC001574679901 948792394 /nfs/dbraw/zinc/79/23/94/948792394.db2.gz BDFYAZZXINSKBC-LBPRGKRZSA-N -1 1 381.444 1.343 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1csc(Cl)n1 ZINC001574680065 948797779 /nfs/dbraw/zinc/79/77/79/948797779.db2.gz CXQXJALITGZNJB-SSDOTTSWSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1csc(Cl)n1 ZINC001574680065 948797798 /nfs/dbraw/zinc/79/77/98/948797798.db2.gz CXQXJALITGZNJB-SSDOTTSWSA-N -1 1 379.837 1.387 20 0 GDADMM CC(C)[C@H](F)C(=O)NC[C@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001574080787 948806993 /nfs/dbraw/zinc/80/69/93/948806993.db2.gz NKGHCHJDJSCXNW-FZMZJTMJSA-N -1 1 382.465 1.239 20 0 GDADMM CC(C)c1ccoc1C(=O)NC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001574420849 948807845 /nfs/dbraw/zinc/80/78/45/948807845.db2.gz BUDCDZDVAFWYJG-LBPRGKRZSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1ccoc1C(=O)NC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001574420849 948807861 /nfs/dbraw/zinc/80/78/61/948807861.db2.gz BUDCDZDVAFWYJG-LBPRGKRZSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)[C@H](F)C(=O)NCC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001574081072 948814499 /nfs/dbraw/zinc/81/44/99/948814499.db2.gz PFTLYJVVTUCGBT-JMSVASOKSA-N -1 1 376.440 1.229 20 0 GDADMM CC(C)[C@H](F)C(=O)NCC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001574081072 948814522 /nfs/dbraw/zinc/81/45/22/948814522.db2.gz PFTLYJVVTUCGBT-JMSVASOKSA-N -1 1 376.440 1.229 20 0 GDADMM CC(F)(F)CC(=O)N1C[C@@H]2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@H]2C1 ZINC001575227605 948830166 /nfs/dbraw/zinc/83/01/66/948830166.db2.gz VUCITMRQPRMIBE-SRVKXCTJSA-N -1 1 392.414 1.741 20 0 GDADMM CC(F)(F)CC(=O)N1C[C@@H]2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@H]2C1 ZINC001575227605 948830183 /nfs/dbraw/zinc/83/01/83/948830183.db2.gz VUCITMRQPRMIBE-SRVKXCTJSA-N -1 1 392.414 1.741 20 0 GDADMM CC(C)c1ccsc1C(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574422322 948832981 /nfs/dbraw/zinc/83/29/81/948832981.db2.gz YRXZNHWEQYUAJD-NSHDSACASA-N -1 1 386.485 1.836 20 0 GDADMM C[C@@H](CNC(=O)CCCc1cccs1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574918338 948842283 /nfs/dbraw/zinc/84/22/83/948842283.db2.gz JHNLUXZVNURKMK-GFCCVEGCSA-N -1 1 386.485 1.905 20 0 GDADMM C[C@@H](CNC(=O)CCCc1cccs1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574918338 948842299 /nfs/dbraw/zinc/84/22/99/948842299.db2.gz JHNLUXZVNURKMK-GFCCVEGCSA-N -1 1 386.485 1.905 20 0 GDADMM CC(C)[C@H](F)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001574081763 948842433 /nfs/dbraw/zinc/84/24/33/948842433.db2.gz WLCQCMNKZLKYBB-ZWUHOBOKSA-N -1 1 388.451 1.514 20 0 GDADMM CC(C)[C@H](F)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001574081763 948842448 /nfs/dbraw/zinc/84/24/48/948842448.db2.gz WLCQCMNKZLKYBB-ZWUHOBOKSA-N -1 1 388.451 1.514 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccc(Cl)s1 ZINC001574683328 948845361 /nfs/dbraw/zinc/84/53/61/948845361.db2.gz XSITVXZJSGPZCT-MRVPVSSYSA-N -1 1 378.849 1.992 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccc(Cl)s1 ZINC001574683328 948845379 /nfs/dbraw/zinc/84/53/79/948845379.db2.gz XSITVXZJSGPZCT-MRVPVSSYSA-N -1 1 378.849 1.992 20 0 GDADMM CC(C)c1ccsc1C(=O)NC[C@@H](O)CNc1nccnc1-c1nnn[n-]1 ZINC001574424303 948850190 /nfs/dbraw/zinc/85/01/90/948850190.db2.gz JJEJFMRKWSMLGH-JTQLQIEISA-N -1 1 388.457 1.044 20 0 GDADMM CC(C)c1ccsc1C(=O)NC[C@@H](O)CNc1nccnc1-c1nn[n-]n1 ZINC001574424303 948850212 /nfs/dbraw/zinc/85/02/12/948850212.db2.gz JJEJFMRKWSMLGH-JTQLQIEISA-N -1 1 388.457 1.044 20 0 GDADMM CC(C)(C(=O)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1)C(F)F ZINC001573762297 948851568 /nfs/dbraw/zinc/85/15/68/948851568.db2.gz SAFYHGXHISTJLS-UHFFFAOYSA-N -1 1 380.403 1.020 20 0 GDADMM CC(C)c1ccsc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574424590 948858201 /nfs/dbraw/zinc/85/82/01/948858201.db2.gz QZHVRBYHQIQAMD-LLVKDONJSA-N -1 1 384.469 1.590 20 0 GDADMM C[C@H](CNC(=O)CCCc1ccccn1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574918785 948859254 /nfs/dbraw/zinc/85/92/54/948859254.db2.gz QHIPRKUTMHNFDH-CYBMUJFWSA-N -1 1 381.444 1.016 20 0 GDADMM C[C@@H](CNC(=O)CCCc1cccnc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574918832 948860432 /nfs/dbraw/zinc/86/04/32/948860432.db2.gz RGTVRBKBWVHWTQ-ZDUSSCGKSA-N -1 1 381.444 1.016 20 0 GDADMM C[C@@H](CNC(=O)CCCc1cccnc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574918832 948860445 /nfs/dbraw/zinc/86/04/45/948860445.db2.gz RGTVRBKBWVHWTQ-ZDUSSCGKSA-N -1 1 381.444 1.016 20 0 GDADMM CC(C)c1nc(C(=O)N[C@H](C)[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)cs1 ZINC001574424606 948860678 /nfs/dbraw/zinc/86/06/78/948860678.db2.gz RHYOPLZIQWGWEM-VHSXEESVSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1nc(C(=O)N[C@H](C)[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)cs1 ZINC001574424606 948860695 /nfs/dbraw/zinc/86/06/95/948860695.db2.gz RHYOPLZIQWGWEM-VHSXEESVSA-N -1 1 387.473 1.856 20 0 GDADMM C[C@H](CNC(=O)CCCc1cccnc1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574919052 948867763 /nfs/dbraw/zinc/86/77/63/948867763.db2.gz VHVDDIWNKIMKEA-ZDUSSCGKSA-N -1 1 381.444 1.239 20 0 GDADMM C[C@H](CNC(=O)CCCc1cccnc1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574919052 948867779 /nfs/dbraw/zinc/86/77/79/948867779.db2.gz VHVDDIWNKIMKEA-ZDUSSCGKSA-N -1 1 381.444 1.239 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575231945 948869783 /nfs/dbraw/zinc/86/97/83/948869783.db2.gz BIRZECZLQMYEME-WDEREUQCSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575231945 948869794 /nfs/dbraw/zinc/86/97/94/948869794.db2.gz BIRZECZLQMYEME-WDEREUQCSA-N -1 1 380.403 1.789 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)c1ccccn1 ZINC001574684670 948875672 /nfs/dbraw/zinc/87/56/72/948875672.db2.gz KNDSVVJDUPFFJX-MRVPVSSYSA-N -1 1 378.849 1.992 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)c1ccccn1 ZINC001574684670 948875684 /nfs/dbraw/zinc/87/56/84/948875684.db2.gz KNDSVVJDUPFFJX-MRVPVSSYSA-N -1 1 378.849 1.992 20 0 GDADMM CC(C)c1nc(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)nn3)CC2)cs1 ZINC001574425490 948875802 /nfs/dbraw/zinc/87/58/02/948875802.db2.gz GDWVPZWRGBRWCK-UHFFFAOYSA-N -1 1 385.457 1.611 20 0 GDADMM CC(C)c1nc(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)nn3)CC2)cs1 ZINC001574425490 948875823 /nfs/dbraw/zinc/87/58/23/948875823.db2.gz GDWVPZWRGBRWCK-UHFFFAOYSA-N -1 1 385.457 1.611 20 0 GDADMM C[C@H](CNC(=O)CCCc1ccc(F)cc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574919419 948877515 /nfs/dbraw/zinc/87/75/15/948877515.db2.gz YZJUXJXPBOERCS-GFCCVEGCSA-N -1 1 384.419 1.735 20 0 GDADMM C[C@H](CNC(=O)CCCc1ccc(F)cc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574919419 948877535 /nfs/dbraw/zinc/87/75/35/948877535.db2.gz YZJUXJXPBOERCS-GFCCVEGCSA-N -1 1 384.419 1.735 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)c1cnn(C)c1 ZINC001574684713 948881368 /nfs/dbraw/zinc/88/13/68/948881368.db2.gz LJJLGGHULOUMTA-ZETCQYMHSA-N -1 1 381.853 1.331 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)c1cnn(C)c1 ZINC001574684713 948881391 /nfs/dbraw/zinc/88/13/91/948881391.db2.gz LJJLGGHULOUMTA-ZETCQYMHSA-N -1 1 381.853 1.331 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1)c1ccccc1 ZINC001573764283 948886007 /nfs/dbraw/zinc/88/60/07/948886007.db2.gz LMTIEBULIFZMAB-CQSZACIVSA-N -1 1 392.467 1.895 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1)c1ccccc1 ZINC001573764283 948886025 /nfs/dbraw/zinc/88/60/25/948886025.db2.gz LMTIEBULIFZMAB-CQSZACIVSA-N -1 1 392.467 1.895 20 0 GDADMM CC(C)c1nc(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)cs1 ZINC001574427075 948900441 /nfs/dbraw/zinc/90/04/41/948900441.db2.gz YJWMNWWQFPSFHU-MGCOHNPYSA-N -1 1 385.457 1.610 20 0 GDADMM CC(C)c1nc(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)cs1 ZINC001574427075 948900445 /nfs/dbraw/zinc/90/04/45/948900445.db2.gz YJWMNWWQFPSFHU-MGCOHNPYSA-N -1 1 385.457 1.610 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC(C)(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575234852 948907836 /nfs/dbraw/zinc/90/78/36/948907836.db2.gz HMMGWSVQYSJQME-UHFFFAOYSA-N -1 1 380.403 1.885 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC(C)(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575234852 948907853 /nfs/dbraw/zinc/90/78/53/948907853.db2.gz HMMGWSVQYSJQME-UHFFFAOYSA-N -1 1 380.403 1.885 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575235182 948916423 /nfs/dbraw/zinc/91/64/23/948916423.db2.gz KLSUZJPUQMGMAE-LLVKDONJSA-N -1 1 380.403 1.743 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575235182 948916443 /nfs/dbraw/zinc/91/64/43/948916443.db2.gz KLSUZJPUQMGMAE-LLVKDONJSA-N -1 1 380.403 1.743 20 0 GDADMM CC(C)c1ncc(C(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)s1 ZINC001574427966 948918784 /nfs/dbraw/zinc/91/87/84/948918784.db2.gz VZAGNEHGTVBJRO-SNVBAGLBSA-N -1 1 385.457 1.563 20 0 GDADMM CC(C)c1ncc(C(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)s1 ZINC001574427966 948918797 /nfs/dbraw/zinc/91/87/97/948918797.db2.gz VZAGNEHGTVBJRO-SNVBAGLBSA-N -1 1 385.457 1.563 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)s1 ZINC001574427998 948919979 /nfs/dbraw/zinc/91/99/79/948919979.db2.gz XFAMVINNEQDIBU-SNVBAGLBSA-N -1 1 385.457 1.245 20 0 GDADMM CC(C)(C(=O)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1)C(F)(F)F ZINC001573765643 948920137 /nfs/dbraw/zinc/92/01/37/948920137.db2.gz UTQAHPBMGBYICW-UHFFFAOYSA-N -1 1 384.366 1.284 20 0 GDADMM CC(C)(C(=O)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1)C(F)(F)F ZINC001573765643 948920141 /nfs/dbraw/zinc/92/01/41/948920141.db2.gz UTQAHPBMGBYICW-UHFFFAOYSA-N -1 1 384.366 1.284 20 0 GDADMM CC(C)c1ncsc1C(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574432526 948935504 /nfs/dbraw/zinc/93/55/04/948935504.db2.gz LXAWNMGYVSOILQ-JTQLQIEISA-N -1 1 387.473 1.231 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2)C(F)F ZINC001573771326 948938987 /nfs/dbraw/zinc/93/89/87/948938987.db2.gz GLGQXYCTUJKNJL-LLVKDONJSA-N -1 1 392.414 1.423 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2)C(F)F ZINC001573771326 948938999 /nfs/dbraw/zinc/93/89/99/948938999.db2.gz GLGQXYCTUJKNJL-LLVKDONJSA-N -1 1 392.414 1.423 20 0 GDADMM CC(C)(C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)C(F)F ZINC001573771287 948940033 /nfs/dbraw/zinc/94/00/33/948940033.db2.gz FGMPAIQIQSQCGZ-FGWVZKOKSA-N -1 1 392.414 1.564 20 0 GDADMM CC(C)(C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)C(F)F ZINC001573771287 948940042 /nfs/dbraw/zinc/94/00/42/948940042.db2.gz FGMPAIQIQSQCGZ-FGWVZKOKSA-N -1 1 392.414 1.564 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C1CCC1 ZINC001573771661 948943939 /nfs/dbraw/zinc/94/39/39/948943939.db2.gz KHZBVLPVJCVUMY-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573771857 948947966 /nfs/dbraw/zinc/94/79/66/948947966.db2.gz MPVAZUOVQVLPRN-GXTWGEPZSA-N -1 1 384.488 1.602 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575238399 948954120 /nfs/dbraw/zinc/95/41/20/948954120.db2.gz MIFNNGCMNYKKQL-GHMZBOCLSA-N -1 1 380.403 1.931 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575238399 948954131 /nfs/dbraw/zinc/95/41/31/948954131.db2.gz MIFNNGCMNYKKQL-GHMZBOCLSA-N -1 1 380.403 1.931 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574433465 948957137 /nfs/dbraw/zinc/95/71/37/948957137.db2.gz OIZWSFVFFTXPPU-SNVBAGLBSA-N -1 1 385.457 1.245 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574433465 948957147 /nfs/dbraw/zinc/95/71/47/948957147.db2.gz OIZWSFVFFTXPPU-SNVBAGLBSA-N -1 1 385.457 1.245 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1)C(F)F ZINC001573772599 948965216 /nfs/dbraw/zinc/96/52/16/948965216.db2.gz VWEXTHCYUBBXIJ-VHSXEESVSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1)C(F)F ZINC001573772599 948965227 /nfs/dbraw/zinc/96/52/27/948965227.db2.gz VWEXTHCYUBBXIJ-VHSXEESVSA-N -1 1 380.403 1.645 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CCCC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575239876 948968651 /nfs/dbraw/zinc/96/86/51/948968651.db2.gz XBPDMUGWKPMVDE-GHMZBOCLSA-N -1 1 380.403 1.931 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CCCC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575239876 948968659 /nfs/dbraw/zinc/96/86/59/948968659.db2.gz XBPDMUGWKPMVDE-GHMZBOCLSA-N -1 1 380.403 1.931 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)N1CCC(CN(C)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574089961 948974268 /nfs/dbraw/zinc/97/42/68/948974268.db2.gz GSQDRDVSXVUKFF-LSDHHAIUSA-N -1 1 384.488 1.624 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1COc2ccccc21 ZINC001574691458 949026090 /nfs/dbraw/zinc/02/60/90/949026090.db2.gz XWXSJEJLCDXOBZ-WCQYABFASA-N -1 1 380.412 1.140 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1COc2ccccc21 ZINC001574691458 949026109 /nfs/dbraw/zinc/02/61/09/949026109.db2.gz XWXSJEJLCDXOBZ-WCQYABFASA-N -1 1 380.412 1.140 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)NCC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574091767 949030643 /nfs/dbraw/zinc/03/06/43/949030643.db2.gz OMCXFFKOQHIBBY-UONOGXRCSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)NCC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574091767 949030666 /nfs/dbraw/zinc/03/06/66/949030666.db2.gz OMCXFFKOQHIBBY-UONOGXRCSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)c1occc1C(=O)N1CC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001574440646 949033759 /nfs/dbraw/zinc/03/37/59/949033759.db2.gz ARFBCMIVSIVVBO-GFCCVEGCSA-N -1 1 382.428 1.724 20 0 GDADMM CC(C)c1occc1C(=O)N1CC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001574440646 949033778 /nfs/dbraw/zinc/03/37/78/949033778.db2.gz ARFBCMIVSIVVBO-GFCCVEGCSA-N -1 1 382.428 1.724 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccn(C(C)(C)C)n1 ZINC001574693178 949053046 /nfs/dbraw/zinc/05/30/46/949053046.db2.gz BLGZRYXKGVDIGI-LLVKDONJSA-N -1 1 384.448 1.229 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccn(C(C)(C)C)n1 ZINC001574693178 949053064 /nfs/dbraw/zinc/05/30/64/949053064.db2.gz BLGZRYXKGVDIGI-LLVKDONJSA-N -1 1 384.448 1.229 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001573779234 949054689 /nfs/dbraw/zinc/05/46/89/949054689.db2.gz DSAKNSKGPHPRHD-HNNXBMFYSA-N -1 1 392.467 1.720 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001574441663 949068805 /nfs/dbraw/zinc/06/88/05/949068805.db2.gz RTBPSWMSUQQAJD-ZYHUDNBSSA-N -1 1 383.416 1.023 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001574441663 949068830 /nfs/dbraw/zinc/06/88/30/949068830.db2.gz RTBPSWMSUQQAJD-ZYHUDNBSSA-N -1 1 383.416 1.023 20 0 GDADMM CC(C)c1nocc1C(=O)N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574441950 949086863 /nfs/dbraw/zinc/08/68/63/949086863.db2.gz GSEJHCRJVQLLFN-NSHDSACASA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1nocc1C(=O)N1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574441950 949086880 /nfs/dbraw/zinc/08/68/80/949086880.db2.gz GSEJHCRJVQLLFN-NSHDSACASA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)[C@H]1C[C@H](CC(=O)NCCN(C)c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC001574093011 949088831 /nfs/dbraw/zinc/08/88/31/949088831.db2.gz QQJBWBUUYQHUTC-UKRRQHHQSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)[C@H]1C[C@H](CC(=O)NCCN(C)c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC001574093011 949088850 /nfs/dbraw/zinc/08/88/50/949088850.db2.gz QQJBWBUUYQHUTC-UKRRQHHQSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@@H](Sc1cccnc1-c1nnn[n-]1)C(=O)Nc1sccc1C(N)=O ZINC001575504925 949092275 /nfs/dbraw/zinc/09/22/75/949092275.db2.gz ZDOAGDLRLSIQFE-SSDOTTSWSA-N -1 1 375.439 1.541 20 0 GDADMM C[C@@H](Sc1cccnc1-c1nn[n-]n1)C(=O)Nc1sccc1C(N)=O ZINC001575504925 949092299 /nfs/dbraw/zinc/09/22/99/949092299.db2.gz ZDOAGDLRLSIQFE-SSDOTTSWSA-N -1 1 375.439 1.541 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001574442040 949093270 /nfs/dbraw/zinc/09/32/70/949093270.db2.gz KGWLYYAKTMXEED-CYBMUJFWSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001574442040 949093283 /nfs/dbraw/zinc/09/32/83/949093283.db2.gz KGWLYYAKTMXEED-CYBMUJFWSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)(C(=O)NCC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)C(F)F ZINC001573781436 949103571 /nfs/dbraw/zinc/10/35/71/949103571.db2.gz GXQYZRZNHIVKMT-JTQLQIEISA-N -1 1 380.403 1.281 20 0 GDADMM CC(C)(C(=O)NCC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)C(F)F ZINC001573781436 949103580 /nfs/dbraw/zinc/10/35/80/949103580.db2.gz GXQYZRZNHIVKMT-JTQLQIEISA-N -1 1 380.403 1.281 20 0 GDADMM CC(C)c1nocc1C(=O)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001574442748 949104670 /nfs/dbraw/zinc/10/46/70/949104670.db2.gz TXYYXOYRFNVUPT-UHFFFAOYSA-N -1 1 383.416 1.121 20 0 GDADMM CC(C)c1nocc1C(=O)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001574442748 949104685 /nfs/dbraw/zinc/10/46/85/949104685.db2.gz TXYYXOYRFNVUPT-UHFFFAOYSA-N -1 1 383.416 1.121 20 0 GDADMM CC(C)c1nocc1C(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574442754 949105272 /nfs/dbraw/zinc/10/52/72/949105272.db2.gz UEGUKDCEJTYIKK-NSHDSACASA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1nocc1C(=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574442754 949105284 /nfs/dbraw/zinc/10/52/84/949105284.db2.gz UEGUKDCEJTYIKK-NSHDSACASA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001574443275 949107150 /nfs/dbraw/zinc/10/71/50/949107150.db2.gz WWFAVSOMIITKKA-CYBMUJFWSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001574443275 949107159 /nfs/dbraw/zinc/10/71/59/949107159.db2.gz WWFAVSOMIITKKA-CYBMUJFWSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1nocc1C(=O)N(C)C1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574443423 949108752 /nfs/dbraw/zinc/10/87/52/949108752.db2.gz YAZMFORXQSMZTI-UHFFFAOYSA-N -1 1 383.416 1.483 20 0 GDADMM CC(C)c1nocc1C(=O)N(C)C1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574443423 949108762 /nfs/dbraw/zinc/10/87/62/949108762.db2.gz YAZMFORXQSMZTI-UHFFFAOYSA-N -1 1 383.416 1.483 20 0 GDADMM CC(C)(C(=O)NCC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573782022 949115137 /nfs/dbraw/zinc/11/51/37/949115137.db2.gz OTAVGDZDLWXOSH-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@H](C)CCNc2nccnc2-c2nnn[n-]2)s1 ZINC001574695852 949116013 /nfs/dbraw/zinc/11/60/13/949116013.db2.gz KLWNQUMHDCQMAN-SNVBAGLBSA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@H](C)CCNc2nccnc2-c2nn[n-]n2)s1 ZINC001574695852 949116029 /nfs/dbraw/zinc/11/60/29/949116029.db2.gz KLWNQUMHDCQMAN-SNVBAGLBSA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)[C@]1(C)C[C@H]1C(=O)NCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574093756 949119007 /nfs/dbraw/zinc/11/90/07/949119007.db2.gz YHUNVTPRXABCDL-LIRRHRJNSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)[C@]1(C)C[C@H]1C(=O)NCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574093756 949119017 /nfs/dbraw/zinc/11/90/17/949119017.db2.gz YHUNVTPRXABCDL-LIRRHRJNSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001574094446 949136349 /nfs/dbraw/zinc/13/63/49/949136349.db2.gz WCGLCFAPWUJCHQ-LJISPDSOSA-N -1 1 382.472 1.519 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001574094446 949136358 /nfs/dbraw/zinc/13/63/58/949136358.db2.gz WCGLCFAPWUJCHQ-LJISPDSOSA-N -1 1 382.472 1.519 20 0 GDADMM CC(C)c1ocnc1C(=O)N1C[C@H](C)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574446618 949136540 /nfs/dbraw/zinc/13/65/40/949136540.db2.gz SYUPZWYWFIWXQC-CMPLNLGQSA-N -1 1 383.416 1.341 20 0 GDADMM CC(C)c1ocnc1C(=O)N1C[C@H](C)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574446618 949136552 /nfs/dbraw/zinc/13/65/52/949136552.db2.gz SYUPZWYWFIWXQC-CMPLNLGQSA-N -1 1 383.416 1.341 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H](C)NC(=O)C1(c2ccccn2)CC1 ZINC001575251379 949137798 /nfs/dbraw/zinc/13/77/98/949137798.db2.gz BFKVVRLXRKOZGO-NEPJUHHUSA-N -1 1 379.428 1.089 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H](C)NC(=O)C1(c2ccccn2)CC1 ZINC001575251379 949137807 /nfs/dbraw/zinc/13/78/07/949137807.db2.gz BFKVVRLXRKOZGO-NEPJUHHUSA-N -1 1 379.428 1.089 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CC[C@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574446623 949138194 /nfs/dbraw/zinc/13/81/94/949138194.db2.gz SZWWEUCIBSDXBK-NSHDSACASA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CC[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574446623 949138203 /nfs/dbraw/zinc/13/82/03/949138203.db2.gz SZWWEUCIBSDXBK-NSHDSACASA-N -1 1 383.416 1.119 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)[C@H]1CC1(F)F ZINC001574696833 949143923 /nfs/dbraw/zinc/14/39/23/949143923.db2.gz VOGTYVPQFMGKSJ-PHDIDXHHSA-N -1 1 377.808 1.939 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@H]1CC1(F)F ZINC001574696833 949143937 /nfs/dbraw/zinc/14/39/37/949143937.db2.gz VOGTYVPQFMGKSJ-PHDIDXHHSA-N -1 1 377.808 1.939 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)[C@@H]1CCCCO1 ZINC001573786821 949151146 /nfs/dbraw/zinc/15/11/46/949151146.db2.gz DKIUDDREWLMTFZ-SCRDCRAPSA-N -1 1 386.460 1.311 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)[C@@H]1CCCCO1 ZINC001573786821 949151152 /nfs/dbraw/zinc/15/11/52/949151152.db2.gz DKIUDDREWLMTFZ-SCRDCRAPSA-N -1 1 386.460 1.311 20 0 GDADMM CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1)C(F)F ZINC001573786890 949155771 /nfs/dbraw/zinc/15/57/71/949155771.db2.gz BVZNGJHCEQFSLE-BBBLOLIVSA-N -1 1 378.387 1.174 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574447343 949158428 /nfs/dbraw/zinc/15/84/28/949158428.db2.gz MKUSOLINRBALFH-PHIMTYICSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574447343 949158439 /nfs/dbraw/zinc/15/84/39/949158439.db2.gz MKUSOLINRBALFH-PHIMTYICSA-N -1 1 383.416 1.389 20 0 GDADMM C[C@H](CNC(=O)COc1ccc(Cl)cc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574934551 949166658 /nfs/dbraw/zinc/16/66/58/949166658.db2.gz KWSALJNIDNHBPQ-SNVBAGLBSA-N -1 1 388.819 1.306 20 0 GDADMM C[C@H](CNC(=O)COc1ccc(Cl)cc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574934551 949166678 /nfs/dbraw/zinc/16/66/78/949166678.db2.gz KWSALJNIDNHBPQ-SNVBAGLBSA-N -1 1 388.819 1.306 20 0 GDADMM CC(C)c1oncc1C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574447995 949175224 /nfs/dbraw/zinc/17/52/24/949175224.db2.gz AXDPSYCZCOYRAY-LLVKDONJSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1oncc1C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574447995 949175240 /nfs/dbraw/zinc/17/52/40/949175240.db2.gz AXDPSYCZCOYRAY-LLVKDONJSA-N -1 1 383.416 1.167 20 0 GDADMM C[C@H](CN(C)C(=O)C(C1CCC1)C1CCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574698289 949182463 /nfs/dbraw/zinc/18/24/63/949182463.db2.gz IUFZXWJKLQPHFT-GFCCVEGCSA-N -1 1 384.488 1.554 20 0 GDADMM CC(C)c1oncc1C(=O)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574448906 949196088 /nfs/dbraw/zinc/19/60/88/949196088.db2.gz PGVYLPZZGWJIFY-UHFFFAOYSA-N -1 1 383.416 1.121 20 0 GDADMM CC(C)c1oncc1C(=O)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574448906 949196100 /nfs/dbraw/zinc/19/61/00/949196100.db2.gz PGVYLPZZGWJIFY-UHFFFAOYSA-N -1 1 383.416 1.121 20 0 GDADMM CC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)[C@H]2CC23CCCC3)CC1 ZINC001575854420 949234060 /nfs/dbraw/zinc/23/40/60/949234060.db2.gz WGQNVLJSADZKSR-CYBMUJFWSA-N -1 1 382.472 1.452 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(Cl)cc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574938129 949237256 /nfs/dbraw/zinc/23/72/56/949237256.db2.gz SNNOTWVTAAZCTC-NSHDSACASA-N -1 1 386.847 1.494 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(Cl)cc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574938129 949237272 /nfs/dbraw/zinc/23/72/72/949237272.db2.gz SNNOTWVTAAZCTC-NSHDSACASA-N -1 1 386.847 1.494 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574451655 949237581 /nfs/dbraw/zinc/23/75/81/949237581.db2.gz SNHCMZNRWJNVPB-JTQLQIEISA-N -1 1 385.457 1.245 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574451655 949237601 /nfs/dbraw/zinc/23/76/01/949237601.db2.gz SNHCMZNRWJNVPB-JTQLQIEISA-N -1 1 385.457 1.245 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574451657 949238939 /nfs/dbraw/zinc/23/89/39/949238939.db2.gz SNHCMZNRWJNVPB-SNVBAGLBSA-N -1 1 385.457 1.245 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574451657 949238958 /nfs/dbraw/zinc/23/89/58/949238958.db2.gz SNHCMZNRWJNVPB-SNVBAGLBSA-N -1 1 385.457 1.245 20 0 GDADMM C[C@H](CNC(=O)Cc1c(F)cccc1F)CNc1nccnc1-c1nnn[n-]1 ZINC001574938437 949242208 /nfs/dbraw/zinc/24/22/08/949242208.db2.gz VZQCOKYPSOWABI-SNVBAGLBSA-N -1 1 388.382 1.342 20 0 GDADMM C[C@H](CNC(=O)Cc1c(F)cccc1F)CNc1nccnc1-c1nn[n-]n1 ZINC001574938437 949242226 /nfs/dbraw/zinc/24/22/26/949242226.db2.gz VZQCOKYPSOWABI-SNVBAGLBSA-N -1 1 388.382 1.342 20 0 GDADMM C[C@H]1CCC[C@]1(C)C(=O)N1CCC(C)(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576152541 949253207 /nfs/dbraw/zinc/25/32/07/949253207.db2.gz JJWWKIZDUIWCSO-DJJJIMSYSA-N -1 1 384.488 1.698 20 0 GDADMM C[C@@H](NC(=O)C1(CF)CCC1)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575257259 949266785 /nfs/dbraw/zinc/26/67/85/949266785.db2.gz YZPCORRJZXNGKF-CHWSQXEVSA-N -1 1 388.451 1.518 20 0 GDADMM C[C@@H](NC(=O)C1(CF)CCC1)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575257259 949266805 /nfs/dbraw/zinc/26/68/05/949266805.db2.gz YZPCORRJZXNGKF-CHWSQXEVSA-N -1 1 388.451 1.518 20 0 GDADMM CC(C)n1cc(C(=O)NCC2(Nc3nccnc3-c3nnn[n-]3)CCC2)cn1 ZINC001574452850 949268221 /nfs/dbraw/zinc/26/82/21/949268221.db2.gz OCPDWXHYUGXBEW-UHFFFAOYSA-N -1 1 382.432 1.199 20 0 GDADMM CC(C)n1cc(C(=O)NCC2(Nc3nccnc3-c3nn[n-]n3)CCC2)cn1 ZINC001574452850 949268244 /nfs/dbraw/zinc/26/82/44/949268244.db2.gz OCPDWXHYUGXBEW-UHFFFAOYSA-N -1 1 382.432 1.199 20 0 GDADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)C2(C(F)F)CC2)CC1 ZINC001575857708 949269656 /nfs/dbraw/zinc/26/96/56/949269656.db2.gz UCJLWKLWBGODQS-UHFFFAOYSA-N -1 1 378.387 1.495 20 0 GDADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)C2(C(F)F)CC2)CC1 ZINC001575857708 949269679 /nfs/dbraw/zinc/26/96/79/949269679.db2.gz UCJLWKLWBGODQS-UHFFFAOYSA-N -1 1 378.387 1.495 20 0 GDADMM CC(C)(C)C(=O)C(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CCCC1 ZINC001573792865 949275673 /nfs/dbraw/zinc/27/56/73/949275673.db2.gz GSDZAKGNKPFXLV-LBPRGKRZSA-N -1 1 386.460 1.359 20 0 GDADMM CC(C)(C)C(=O)C(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CCCC1 ZINC001573792865 949275692 /nfs/dbraw/zinc/27/56/92/949275692.db2.gz GSDZAKGNKPFXLV-LBPRGKRZSA-N -1 1 386.460 1.359 20 0 GDADMM C[C@H](CNC(=O)Cc1cccnc1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574940761 949279594 /nfs/dbraw/zinc/27/95/94/949279594.db2.gz KHPVJOSPQSJZFM-SECBINFHSA-N -1 1 392.876 1.555 20 0 GDADMM C[C@H](CNC(=O)Cc1cccnc1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574940761 949279614 /nfs/dbraw/zinc/27/96/14/949279614.db2.gz KHPVJOSPQSJZFM-SECBINFHSA-N -1 1 392.876 1.555 20 0 GDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](C)NC(=O)C1CCC(F)(F)CC1 ZINC001575257595 949280315 /nfs/dbraw/zinc/28/03/15/949280315.db2.gz AXPSDTFJWVHNAW-ZJUUUORDSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](C)NC(=O)C1CCC(F)(F)CC1 ZINC001575257595 949280338 /nfs/dbraw/zinc/28/03/38/949280338.db2.gz AXPSDTFJWVHNAW-ZJUUUORDSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@H]1CCC[C@@H](C(=O)NCCCN(c2nccnc2-c2nnn[n-]2)C2CC2)C1 ZINC001576153341 949284503 /nfs/dbraw/zinc/28/45/03/949284503.db2.gz LZKBCQTXEIBGTH-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCC[C@@H](C(=O)NCCCN(c2nccnc2-c2nn[n-]n2)C2CC2)C1 ZINC001576153341 949284526 /nfs/dbraw/zinc/28/45/26/949284526.db2.gz LZKBCQTXEIBGTH-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](NC(=O)C1CCC(F)(F)CC1)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575257777 949285235 /nfs/dbraw/zinc/28/52/35/949285235.db2.gz BSZCNZWQBLNDSB-NXEZZACHSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@@H](NC(=O)C1CCC(F)(F)CC1)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575257777 949285258 /nfs/dbraw/zinc/28/52/58/949285258.db2.gz BSZCNZWQBLNDSB-NXEZZACHSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@H](CNC(=O)Cc1ccon1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574941408 949300579 /nfs/dbraw/zinc/30/05/79/949300579.db2.gz DFHRWTKGYYLLAG-SSDOTTSWSA-N -1 1 382.837 1.148 20 0 GDADMM C[C@@H]1CCC[C@@]1(C)C(=O)NCCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001576154147 949317015 /nfs/dbraw/zinc/31/70/15/949317015.db2.gz NTWILOZWMMACCX-BFUOFWGJSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCC[C@@]1(C)C(=O)NCCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001576154147 949317033 /nfs/dbraw/zinc/31/70/33/949317033.db2.gz NTWILOZWMMACCX-BFUOFWGJSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CNC(=O)Cc1cccnc1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574941763 949317282 /nfs/dbraw/zinc/31/72/82/949317282.db2.gz SEAONKWFZNOOCL-MRVPVSSYSA-N -1 1 378.849 1.531 20 0 GDADMM C[C@H]1CCC[C@H]1CC(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001576154152 949321568 /nfs/dbraw/zinc/32/15/68/949321568.db2.gz CDWCKOQHJORPIG-STQMWFEESA-N -1 1 390.513 1.417 20 0 GDADMM CC(C)n1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001574457587 949327461 /nfs/dbraw/zinc/32/74/61/949327461.db2.gz KMFYRKAIESHAAJ-BXUZGUMPSA-N -1 1 382.432 1.007 20 0 GDADMM CC(C)n1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001574457587 949327486 /nfs/dbraw/zinc/32/74/86/949327486.db2.gz KMFYRKAIESHAAJ-BXUZGUMPSA-N -1 1 382.432 1.007 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574703950 949360885 /nfs/dbraw/zinc/36/08/85/949360885.db2.gz IFJCTOJIIAZFDI-PZLGEANOSA-N -1 1 390.451 1.501 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574703950 949360907 /nfs/dbraw/zinc/36/09/07/949360907.db2.gz IFJCTOJIIAZFDI-PZLGEANOSA-N -1 1 390.451 1.501 20 0 GDADMM C[C@H]1CCC[C@H]1CC(=O)NCC1=CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001576154795 949363157 /nfs/dbraw/zinc/36/31/57/949363157.db2.gz FEKVTKKMLFVWSM-ZFWWWQNUSA-N -1 1 382.472 1.736 20 0 GDADMM C[C@H]1CCC[C@H]1CC(=O)NCC1=CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001576154795 949363179 /nfs/dbraw/zinc/36/31/79/949363179.db2.gz FEKVTKKMLFVWSM-ZFWWWQNUSA-N -1 1 382.472 1.736 20 0 GDADMM C[C@@H](NC(=O)C1Cc2ccccc2C1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575262883 949381227 /nfs/dbraw/zinc/38/12/27/949381227.db2.gz CVDCDKSCCZEZLU-NWDGAFQWSA-N -1 1 378.440 1.377 20 0 GDADMM C[C@@H](NC(=O)C1Cc2ccccc2C1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575262883 949381249 /nfs/dbraw/zinc/38/12/49/949381249.db2.gz CVDCDKSCCZEZLU-NWDGAFQWSA-N -1 1 378.440 1.377 20 0 GDADMM CC(C)n1cccc1C(=O)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574463876 949388644 /nfs/dbraw/zinc/38/86/44/949388644.db2.gz FAJBCTGJFZXNRD-CYBMUJFWSA-N -1 1 381.444 1.756 20 0 GDADMM CC(C)n1cccc1C(=O)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574463876 949388664 /nfs/dbraw/zinc/38/86/64/949388664.db2.gz FAJBCTGJFZXNRD-CYBMUJFWSA-N -1 1 381.444 1.756 20 0 GDADMM C[C@H]1CCC[C@]1(C)C(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001576155265 949391349 /nfs/dbraw/zinc/39/13/49/949391349.db2.gz UJTGXAJKHGTURT-PJHJGJPPSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H]1CCC[C@]1(C)C(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001576155265 949391370 /nfs/dbraw/zinc/39/13/70/949391370.db2.gz UJTGXAJKHGTURT-PJHJGJPPSA-N -1 1 382.472 1.378 20 0 GDADMM CC(C)CC(=O)N[C@@H]1[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)[C@H]2C1(C)C ZINC001574114174 949407438 /nfs/dbraw/zinc/40/74/38/949407438.db2.gz SCEQOGILXFXFGK-JCURWCKSSA-N -1 1 384.488 1.812 20 0 GDADMM CC(C)CC(=O)N[C@@H]1[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)[C@H]2C1(C)C ZINC001574114174 949407451 /nfs/dbraw/zinc/40/74/51/949407451.db2.gz SCEQOGILXFXFGK-JCURWCKSSA-N -1 1 384.488 1.812 20 0 GDADMM C[C@H](CN(C)C(=O)C1=CCOCC1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574705019 949413606 /nfs/dbraw/zinc/41/36/06/949413606.db2.gz QRPKTAOSVBBTEO-MRVPVSSYSA-N -1 1 383.865 1.582 20 0 GDADMM C[C@@H]1CCC[C@H]1CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001576155605 949414758 /nfs/dbraw/zinc/41/47/58/949414758.db2.gz JKUWUUNYVDMWGH-BARDWOONSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H]1CCC[C@H]1CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001576155605 949414775 /nfs/dbraw/zinc/41/47/75/949414775.db2.gz JKUWUUNYVDMWGH-BARDWOONSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H](NC(=O)CC(C)(F)F)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575264131 949417439 /nfs/dbraw/zinc/41/74/39/949417439.db2.gz LWNNTWFOKZEEMS-GHMZBOCLSA-N -1 1 380.403 1.423 20 0 GDADMM CC(C)n1cnc(C(=O)N(C)C2CC(Nc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001574464638 949418903 /nfs/dbraw/zinc/41/89/03/949418903.db2.gz PCWHDGLDRNQNCQ-UHFFFAOYSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1cnc(C(=O)N(C)C2CC(Nc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001574464638 949418915 /nfs/dbraw/zinc/41/89/15/949418915.db2.gz PCWHDGLDRNQNCQ-UHFFFAOYSA-N -1 1 382.432 1.149 20 0 GDADMM C[C@H](NC(=O)C1CCCCC1)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575264331 949424548 /nfs/dbraw/zinc/42/45/48/949424548.db2.gz NSPVSJAEOUATBA-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](NC(=O)C1CCCCC1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575264331 949424568 /nfs/dbraw/zinc/42/45/68/949424568.db2.gz NSPVSJAEOUATBA-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)n1cccc1C(=O)NCC1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574465161 949433853 /nfs/dbraw/zinc/43/38/53/949433853.db2.gz QHNZSXQDAYVCAL-UHFFFAOYSA-N -1 1 381.444 1.660 20 0 GDADMM CC(C)n1cccc1C(=O)NCC1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574465161 949433865 /nfs/dbraw/zinc/43/38/65/949433865.db2.gz QHNZSXQDAYVCAL-UHFFFAOYSA-N -1 1 381.444 1.660 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1ccon1 ZINC001576156317 949439685 /nfs/dbraw/zinc/43/96/85/949439685.db2.gz MLOUMDPJCMVQIV-GTNSWQLSSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ccon1 ZINC001576156317 949439702 /nfs/dbraw/zinc/43/97/02/949439702.db2.gz MLOUMDPJCMVQIV-GTNSWQLSSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@H]1CCC[C@H]1CC(=O)N1CCC(N(C)c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001576156631 949454467 /nfs/dbraw/zinc/45/44/67/949454467.db2.gz NUCPQAHIESIZOC-KBPBESRZSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CCC[C@H]1CC(=O)N1CCC(N(C)c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001576156631 949454481 /nfs/dbraw/zinc/45/44/81/949454481.db2.gz NUCPQAHIESIZOC-KBPBESRZSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)n1ncc(C(=O)N(C)CCNc2ccc(-c3nnn[n-]3)nn2)c1Cl ZINC001574468535 949461174 /nfs/dbraw/zinc/46/11/74/949461174.db2.gz OMZJVZHASHJNST-UHFFFAOYSA-N -1 1 390.839 1.272 20 0 GDADMM CC(C)n1ncc(C(=O)N(C)CCNc2ccc(-c3nn[n-]n3)nn2)c1Cl ZINC001574468535 949461192 /nfs/dbraw/zinc/46/11/92/949461192.db2.gz OMZJVZHASHJNST-UHFFFAOYSA-N -1 1 390.839 1.272 20 0 GDADMM CC(C)n1cnc(C(=O)N[C@H]2C[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001574468515 949463581 /nfs/dbraw/zinc/46/35/81/949463581.db2.gz NHDSMSHMQLCUEK-HAQNSBGRSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cnc(C(=O)N[C@H]2C[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001574468515 949463600 /nfs/dbraw/zinc/46/36/00/949463600.db2.gz NHDSMSHMQLCUEK-HAQNSBGRSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1nccnc1-c1nnn[n-]1)NC(=O)CCCF ZINC001576157051 949466961 /nfs/dbraw/zinc/46/69/61/949466961.db2.gz OVSFXAKGMUYOFP-PXAZEXFGSA-N -1 1 376.440 1.883 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1nccnc1-c1nn[n-]n1)NC(=O)CCCF ZINC001576157051 949466969 /nfs/dbraw/zinc/46/69/69/949466969.db2.gz OVSFXAKGMUYOFP-PXAZEXFGSA-N -1 1 376.440 1.883 20 0 GDADMM C[C@H]1CCC[C@H]1CC(=O)NCCC1(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576157095 949475142 /nfs/dbraw/zinc/47/51/42/949475142.db2.gz PMPSHXIGPWHYLC-KBPBESRZSA-N -1 1 384.488 1.603 20 0 GDADMM CC(C)(C)C(=O)Nc1nc(CC(=O)Nc2c[nH]nc2-c2nn[n-]n2)cs1 ZINC001573806177 949483788 /nfs/dbraw/zinc/48/37/88/949483788.db2.gz JZEWUJJRJINUTO-UHFFFAOYSA-N -1 1 375.418 1.212 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1CCCCO1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574708245 949487572 /nfs/dbraw/zinc/48/75/72/949487572.db2.gz UTBPZVRCGKSCPR-RKDXNWHRSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1CCCCO1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574708245 949487579 /nfs/dbraw/zinc/48/75/79/949487579.db2.gz UTBPZVRCGKSCPR-RKDXNWHRSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCCO1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574708244 949487688 /nfs/dbraw/zinc/48/76/88/949487688.db2.gz UTBPZVRCGKSCPR-IUCAKERBSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCCO1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574708244 949487699 /nfs/dbraw/zinc/48/76/99/949487699.db2.gz UTBPZVRCGKSCPR-IUCAKERBSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccc[nH]1 ZINC001576159027 949512749 /nfs/dbraw/zinc/51/27/49/949512749.db2.gz VXJAJMJKMPUQNR-KPZWWZAWSA-N -1 1 381.444 1.776 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccc[nH]1 ZINC001576159027 949512769 /nfs/dbraw/zinc/51/27/69/949512769.db2.gz VXJAJMJKMPUQNR-KPZWWZAWSA-N -1 1 381.444 1.776 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cocn1 ZINC001576159045 949512811 /nfs/dbraw/zinc/51/28/11/949512811.db2.gz WATOJQFDXVJXHF-GTNSWQLSSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cocn1 ZINC001576159045 949512830 /nfs/dbraw/zinc/51/28/30/949512830.db2.gz WATOJQFDXVJXHF-GTNSWQLSSA-N -1 1 383.416 1.436 20 0 GDADMM CC(C)CC(=O)NC[C@@H]1c2ccccc2CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001574122039 949520764 /nfs/dbraw/zinc/52/07/64/949520764.db2.gz TZLPPEGTFYKTRD-QGZVFWFLSA-N -1 1 392.467 1.923 20 0 GDADMM CC(C)CC(=O)NC[C@@H]1c2ccccc2CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001574122039 949520787 /nfs/dbraw/zinc/52/07/87/949520787.db2.gz TZLPPEGTFYKTRD-QGZVFWFLSA-N -1 1 392.467 1.923 20 0 GDADMM C[C@H]1CCC[C@H]1CC(=O)NC1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576160167 949531039 /nfs/dbraw/zinc/53/10/39/949531039.db2.gz ZXOLQAADYRVLJD-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCC[C@H]1CC(=O)NC1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576160167 949531057 /nfs/dbraw/zinc/53/10/57/949531057.db2.gz ZXOLQAADYRVLJD-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCCC[C@@H]1OCC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576163439 949533968 /nfs/dbraw/zinc/53/39/68/949533968.db2.gz BEVPWBVTDSKCEN-OCCSQVGLSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H]1CCCC[C@@H]1OCC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576163439 949533987 /nfs/dbraw/zinc/53/39/87/949533987.db2.gz BEVPWBVTDSKCEN-OCCSQVGLSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](CN(C)C(=O)CC(C)(C)C(F)(F)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574711649 949544996 /nfs/dbraw/zinc/54/49/96/949544996.db2.gz JVKXIVMNCBAJBV-SECBINFHSA-N -1 1 386.382 1.894 20 0 GDADMM C[C@H](CN(C)C(=O)CC(C)(C)C(F)(F)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574711649 949545012 /nfs/dbraw/zinc/54/50/12/949545012.db2.gz JVKXIVMNCBAJBV-SECBINFHSA-N -1 1 386.382 1.894 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1COc2ccccc21)Nc1nccnc1-c1nnn[n-]1 ZINC001574711796 949555480 /nfs/dbraw/zinc/55/54/80/949555480.db2.gz MJEGWTIAIKIAJZ-YPMHNXCESA-N -1 1 380.412 1.092 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1COc2ccccc21)Nc1nccnc1-c1nn[n-]n1 ZINC001574711796 949555493 /nfs/dbraw/zinc/55/54/93/949555493.db2.gz MJEGWTIAIKIAJZ-YPMHNXCESA-N -1 1 380.412 1.092 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1COc2ccccc21)Nc1nccnc1-c1nnn[n-]1 ZINC001574711794 949556964 /nfs/dbraw/zinc/55/69/64/949556964.db2.gz MJEGWTIAIKIAJZ-DGCLKSJQSA-N -1 1 380.412 1.092 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1COc2ccccc21)Nc1nccnc1-c1nn[n-]n1 ZINC001574711794 949556981 /nfs/dbraw/zinc/55/69/81/949556981.db2.gz MJEGWTIAIKIAJZ-DGCLKSJQSA-N -1 1 380.412 1.092 20 0 GDADMM CC1(C(=O)N2CCC[C@@](CO)(Nc3nccnc3-c3nnn[n-]3)C2)CCCC1 ZINC001575540397 949568623 /nfs/dbraw/zinc/56/86/23/949568623.db2.gz XJBIAWKFJGJWFC-GOSISDBHSA-N -1 1 386.460 1.002 20 0 GDADMM CC1(C(=O)N2CCC[C@@](CO)(Nc3nccnc3-c3nn[n-]n3)C2)CCCC1 ZINC001575540397 949568638 /nfs/dbraw/zinc/56/86/38/949568638.db2.gz XJBIAWKFJGJWFC-GOSISDBHSA-N -1 1 386.460 1.002 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2=CCOCC2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576165911 949574871 /nfs/dbraw/zinc/57/48/71/949574871.db2.gz KKOQBPLTJJORMP-IUODEOHRSA-N -1 1 384.444 1.042 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2=CCOCC2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576165911 949574888 /nfs/dbraw/zinc/57/48/88/949574888.db2.gz KKOQBPLTJJORMP-IUODEOHRSA-N -1 1 384.444 1.042 20 0 GDADMM CC1(C(=O)N2CCCC[C@@]3(CCN(c4ccnc(-c5nn[n-]n5)n4)C3)C2)CC1 ZINC001575544451 949583472 /nfs/dbraw/zinc/58/34/72/949583472.db2.gz CWZCXMHCNOCGIN-IBGZPJMESA-N -1 1 382.472 1.666 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CCc2ccccc2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575873771 949592217 /nfs/dbraw/zinc/59/22/17/949592217.db2.gz CLDCPZQEBRXURP-ZBFHGGJFSA-N -1 1 392.467 1.763 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CCc2ccccc2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575873771 949592236 /nfs/dbraw/zinc/59/22/36/949592236.db2.gz CLDCPZQEBRXURP-ZBFHGGJFSA-N -1 1 392.467 1.763 20 0 GDADMM CC1(C(=O)N2CCC[C@@H]3[C@H]2CCN3c2nccnc2-c2nnn[n-]2)CCCC1 ZINC001575547015 949621400 /nfs/dbraw/zinc/62/14/00/949621400.db2.gz VLXYMMNRSDSVEO-ZIAGYGMSSA-N -1 1 382.472 1.807 20 0 GDADMM CC1(C(=O)N2CCC[C@@H]3[C@H]2CCN3c2nccnc2-c2nn[n-]n2)CCCC1 ZINC001575547015 949621414 /nfs/dbraw/zinc/62/14/14/949621414.db2.gz VLXYMMNRSDSVEO-ZIAGYGMSSA-N -1 1 382.472 1.807 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@@H](C)c1ccncc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574714103 949622763 /nfs/dbraw/zinc/62/27/63/949622763.db2.gz CDNHROIJJXBYGS-CHWSQXEVSA-N -1 1 381.444 1.504 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@@H](C)c1ccncc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574714103 949622774 /nfs/dbraw/zinc/62/27/74/949622774.db2.gz CDNHROIJJXBYGS-CHWSQXEVSA-N -1 1 381.444 1.504 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001574477053 949633909 /nfs/dbraw/zinc/63/39/09/949633909.db2.gz ODKPNQDIMYNOAP-KBPBESRZSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001574477053 949633925 /nfs/dbraw/zinc/63/39/25/949633925.db2.gz ODKPNQDIMYNOAP-KBPBESRZSA-N -1 1 381.444 1.147 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C1(C(F)F)CC1 ZINC001573814193 949639738 /nfs/dbraw/zinc/63/97/38/949639738.db2.gz BIVFJQICTAODOY-JTQLQIEISA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C1(C(F)F)CC1 ZINC001573814193 949639746 /nfs/dbraw/zinc/63/97/46/949639746.db2.gz BIVFJQICTAODOY-JTQLQIEISA-N -1 1 380.403 1.645 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CC2CC(F)(F)C2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575876228 949642281 /nfs/dbraw/zinc/64/22/81/949642281.db2.gz XKRCKDMJURPVQR-JQWIXIFHSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CC2CC(F)(F)C2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575876228 949642293 /nfs/dbraw/zinc/64/22/93/949642293.db2.gz XKRCKDMJURPVQR-JQWIXIFHSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H](CC(=O)N(C)CCNc1ccnc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001574477532 949659414 /nfs/dbraw/zinc/65/94/14/949659414.db2.gz OWAVUZGQBLZRPB-GFCCVEGCSA-N -1 1 384.419 1.282 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H]1C[C@@H]1C(F)F ZINC001573816718 949683489 /nfs/dbraw/zinc/68/34/89/949683489.db2.gz UVJSPJAPGYKWQT-QXEWZRGKSA-N -1 1 380.403 1.501 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H]1C[C@@H]1C(F)F ZINC001573816718 949683505 /nfs/dbraw/zinc/68/35/05/949683505.db2.gz UVJSPJAPGYKWQT-QXEWZRGKSA-N -1 1 380.403 1.501 20 0 GDADMM C[C@@H](NC(=O)CCCc1cccnc1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575274286 949684144 /nfs/dbraw/zinc/68/41/44/949684144.db2.gz ZWXPRGJUFAWIKD-QWHCGFSZSA-N -1 1 381.444 1.380 20 0 GDADMM C[C@@H](NC(=O)CCCc1cccnc1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575274286 949684161 /nfs/dbraw/zinc/68/41/61/949684161.db2.gz ZWXPRGJUFAWIKD-QWHCGFSZSA-N -1 1 381.444 1.380 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574958648 949686029 /nfs/dbraw/zinc/68/60/29/949686029.db2.gz LXHBPYACUQVMTI-AEGPPILISA-N -1 1 378.440 1.625 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574958648 949686050 /nfs/dbraw/zinc/68/60/50/949686050.db2.gz LXHBPYACUQVMTI-AEGPPILISA-N -1 1 378.440 1.625 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C1(F)CCOCC1 ZINC001573816699 949686355 /nfs/dbraw/zinc/68/63/55/949686355.db2.gz USIDVXLVFVLEBU-LBPRGKRZSA-N -1 1 392.439 1.118 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C1(F)CCOCC1 ZINC001573816699 949686364 /nfs/dbraw/zinc/68/63/64/949686364.db2.gz USIDVXLVFVLEBU-LBPRGKRZSA-N -1 1 392.439 1.118 20 0 GDADMM C[C@@H](NC(=O)CCc1ccccc1F)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575274579 949688798 /nfs/dbraw/zinc/68/87/98/949688798.db2.gz APLADRMITGNRCL-NWDGAFQWSA-N -1 1 384.419 1.734 20 0 GDADMM C[C@@H](NC(=O)CCc1ccccc1F)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575274579 949688817 /nfs/dbraw/zinc/68/88/17/949688817.db2.gz APLADRMITGNRCL-NWDGAFQWSA-N -1 1 384.419 1.734 20 0 GDADMM C[C@H]1CCCN(C(=O)Cc2ccoc2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576170341 949714631 /nfs/dbraw/zinc/71/46/31/949714631.db2.gz KJCJGTUYIASJGY-SWLSCSKDSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@H]1CCCN(C(=O)Cc2ccoc2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576170341 949714642 /nfs/dbraw/zinc/71/46/42/949714642.db2.gz KJCJGTUYIASJGY-SWLSCSKDSA-N -1 1 382.428 1.531 20 0 GDADMM CC1(C(=O)N[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C2CC2)CCCCCC1 ZINC001575557288 949716067 /nfs/dbraw/zinc/71/60/67/949716067.db2.gz GJBGEGRCNIXXMP-AWEZNQCLSA-N -1 1 384.488 1.746 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H](CN(C)c2cncc(-c3nnn[n-]3)n2)C1)C1CC1 ZINC001574478771 949719085 /nfs/dbraw/zinc/71/90/85/949719085.db2.gz ALCKZVLMUJRNMN-KBPBESRZSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H](CN(C)c2cncc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001574478771 949719107 /nfs/dbraw/zinc/71/91/07/949719107.db2.gz ALCKZVLMUJRNMN-KBPBESRZSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H]1CCCC[C@@H]1CC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001576170564 949721985 /nfs/dbraw/zinc/72/19/85/949721985.db2.gz LRZGWMHQDNNDHN-OSHGBCRDSA-N -1 1 382.472 1.424 20 0 GDADMM C[C@@H]1CCCC[C@@H]1CC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001576170564 949722006 /nfs/dbraw/zinc/72/20/06/949722006.db2.gz LRZGWMHQDNNDHN-OSHGBCRDSA-N -1 1 382.472 1.424 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCc1ccco1 ZINC001573818221 949726372 /nfs/dbraw/zinc/72/63/72/949726372.db2.gz IKMRWQMJJSTIPS-AWEZNQCLSA-N -1 1 384.444 1.825 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCc1ccco1 ZINC001573818221 949726382 /nfs/dbraw/zinc/72/63/82/949726382.db2.gz IKMRWQMJJSTIPS-AWEZNQCLSA-N -1 1 384.444 1.825 20 0 GDADMM C[C@H]1CCCN(C(=O)COC(C)(C)C)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576170652 949726857 /nfs/dbraw/zinc/72/68/57/949726857.db2.gz MOFKZSHNMLHEQN-GXTWGEPZSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H]1CCCN(C(=O)COC(C)(C)C)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576170652 949726866 /nfs/dbraw/zinc/72/68/66/949726866.db2.gz MOFKZSHNMLHEQN-GXTWGEPZSA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccccc1O ZINC001573818321 949731807 /nfs/dbraw/zinc/73/18/07/949731807.db2.gz KRDGIOCNZHJJHC-CYBMUJFWSA-N -1 1 382.428 1.041 20 0 GDADMM C[C@]1(C(=O)N[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C2CCCC2)CCOC1 ZINC001575558344 949737272 /nfs/dbraw/zinc/73/72/72/949737272.db2.gz OUBHENIUBIBHKV-UGSOOPFHSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@]1(C(=O)N[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C2CCCC2)CCOC1 ZINC001575558344 949737291 /nfs/dbraw/zinc/73/72/91/949737291.db2.gz OUBHENIUBIBHKV-UGSOOPFHSA-N -1 1 386.460 1.170 20 0 GDADMM CC1(C(=O)N2C[C@@]3(C)CN(c4ccc(-c5nnn[n-]5)nn4)C[C@@]3(C)C2)CCC1 ZINC001575558544 949742249 /nfs/dbraw/zinc/74/22/49/949742249.db2.gz QPZASQAZLGPTDN-KDURUIRLSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C(=O)N2C[C@@]3(C)CN(c4ccc(-c5nn[n-]n5)nn4)C[C@@]3(C)C2)CCC1 ZINC001575558544 949742265 /nfs/dbraw/zinc/74/22/65/949742265.db2.gz QPZASQAZLGPTDN-KDURUIRLSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001574479726 949745586 /nfs/dbraw/zinc/74/55/86/949745586.db2.gz GHPGQHMNGIUHIC-ZJUUUORDSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001574479726 949745602 /nfs/dbraw/zinc/74/56/02/949745602.db2.gz GHPGQHMNGIUHIC-ZJUUUORDSA-N -1 1 384.366 1.506 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[C@@H]1CCCCO1 ZINC001573819284 949750084 /nfs/dbraw/zinc/75/00/84/949750084.db2.gz SIUIWXBYXFMOIV-JSGCOSHPSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[C@@H]1CCCCO1 ZINC001573819284 949750100 /nfs/dbraw/zinc/75/01/00/949750100.db2.gz SIUIWXBYXFMOIV-JSGCOSHPSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H]1CCCC[C@@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001576171101 949752763 /nfs/dbraw/zinc/75/27/63/949752763.db2.gz OOTJHOVNVWPOLK-XQLPTFJDSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H]1CCCC[C@@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001576171101 949752798 /nfs/dbraw/zinc/75/27/98/949752798.db2.gz OOTJHOVNVWPOLK-XQLPTFJDSA-N -1 1 382.472 1.378 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ncccc1F ZINC001573819310 949756055 /nfs/dbraw/zinc/75/60/55/949756055.db2.gz SVMYZDIUGIGABO-GFCCVEGCSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ncccc1F ZINC001573819310 949756076 /nfs/dbraw/zinc/75/60/76/949756076.db2.gz SVMYZDIUGIGABO-GFCCVEGCSA-N -1 1 385.407 1.447 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@H]1CCCO1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574718155 949764400 /nfs/dbraw/zinc/76/44/00/949764400.db2.gz YUELAVSEHMUTRV-RKDXNWHRSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@H]1CCCO1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574718155 949764416 /nfs/dbraw/zinc/76/44/16/949764416.db2.gz YUELAVSEHMUTRV-RKDXNWHRSA-N -1 1 385.881 1.805 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccccc1O ZINC001573821796 949776603 /nfs/dbraw/zinc/77/66/03/949776603.db2.gz DLRRDZZONZREDI-CQSZACIVSA-N -1 1 382.428 1.619 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccccc1O ZINC001573821796 949776605 /nfs/dbraw/zinc/77/66/05/949776605.db2.gz DLRRDZZONZREDI-CQSZACIVSA-N -1 1 382.428 1.619 20 0 GDADMM C[C@@H](CN(C)C(=O)CC[C@H]1CC(C)(C)CO1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574718496 949779977 /nfs/dbraw/zinc/77/99/77/949779977.db2.gz YBBFJNDUIUDUOL-STQMWFEESA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CN(C)C(=O)CC[C@H]1CC(C)(C)CO1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574718496 949779988 /nfs/dbraw/zinc/77/99/88/949779988.db2.gz YBBFJNDUIUDUOL-STQMWFEESA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001574138458 949789288 /nfs/dbraw/zinc/78/92/88/949789288.db2.gz CQXKTYMEKIPRHP-CYBMUJFWSA-N -1 1 392.529 1.663 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccc(F)cn1 ZINC001573822543 949793661 /nfs/dbraw/zinc/79/36/61/949793661.db2.gz JKQVCJNCGQDANW-CYBMUJFWSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccc(F)cn1 ZINC001573822543 949793668 /nfs/dbraw/zinc/79/36/68/949793668.db2.gz JKQVCJNCGQDANW-CYBMUJFWSA-N -1 1 385.407 1.447 20 0 GDADMM C[C@@H](CN(C)C(=O)CCc1ccc(F)cc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574720547 949796355 /nfs/dbraw/zinc/79/63/55/949796355.db2.gz CGRVFSAUURWBBX-LBPRGKRZSA-N -1 1 384.419 1.687 20 0 GDADMM C[C@@H](CN(C)C(=O)CCc1ccc(F)cc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574720547 949796360 /nfs/dbraw/zinc/79/63/60/949796360.db2.gz CGRVFSAUURWBBX-LBPRGKRZSA-N -1 1 384.419 1.687 20 0 GDADMM C[C@@H](CN(C)C(=O)CCCc1ccccc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574720536 949796521 /nfs/dbraw/zinc/79/65/21/949796521.db2.gz CAZLLLYNBDYYBL-AWEZNQCLSA-N -1 1 380.456 1.938 20 0 GDADMM C[C@@H](CN(C)C(=O)CCCc1ccccc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574720536 949796533 /nfs/dbraw/zinc/79/65/33/949796533.db2.gz CAZLLLYNBDYYBL-AWEZNQCLSA-N -1 1 380.456 1.938 20 0 GDADMM C[C@H](CC(=O)N1CCC(CN(C)c2cnc(-c3nnn[n-]3)cn2)CC1)C1CC1 ZINC001574481806 949805568 /nfs/dbraw/zinc/80/55/68/949805568.db2.gz VRUJLVHXCMAEFN-CYBMUJFWSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](CC(=O)N1CCC(CN(C)c2cnc(-c3nn[n-]n3)cn2)CC1)C1CC1 ZINC001574481806 949805591 /nfs/dbraw/zinc/80/55/91/949805591.db2.gz VRUJLVHXCMAEFN-CYBMUJFWSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H]1CCCC[C@H]1C(=O)N(C)CCOCCNc1nccnc1-c1nnn[n-]1 ZINC001576172432 949805822 /nfs/dbraw/zinc/80/58/22/949805822.db2.gz UVCSBZNKHWVFDC-UONOGXRCSA-N -1 1 388.476 1.370 20 0 GDADMM C[C@H]1CCCC[C@H]1C(=O)N(C)CCOCCNc1nccnc1-c1nn[n-]n1 ZINC001576172432 949805844 /nfs/dbraw/zinc/80/58/44/949805844.db2.gz UVCSBZNKHWVFDC-UONOGXRCSA-N -1 1 388.476 1.370 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccccc1O ZINC001573823282 949823754 /nfs/dbraw/zinc/82/37/54/949823754.db2.gz TYSYZXFQKBPSKL-ZDUSSCGKSA-N -1 1 382.428 1.619 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccccc1O ZINC001573823282 949823776 /nfs/dbraw/zinc/82/37/76/949823776.db2.gz TYSYZXFQKBPSKL-ZDUSSCGKSA-N -1 1 382.428 1.619 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cc(Cl)c[nH]1 ZINC001573823797 949834199 /nfs/dbraw/zinc/83/41/99/949834199.db2.gz YSNFEVJSVVSAGN-LLVKDONJSA-N -1 1 389.851 1.895 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cc(Cl)c[nH]1 ZINC001573823797 949834224 /nfs/dbraw/zinc/83/42/24/949834224.db2.gz YSNFEVJSVVSAGN-LLVKDONJSA-N -1 1 389.851 1.895 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C(C)(C)C(F)F ZINC001573823497 949835565 /nfs/dbraw/zinc/83/55/65/949835565.db2.gz XSWOEMYXWPSZTL-VIFPVBQESA-N -1 1 382.419 1.891 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C(C)(C)C(F)F ZINC001573823497 949835584 /nfs/dbraw/zinc/83/55/84/949835584.db2.gz XSWOEMYXWPSZTL-VIFPVBQESA-N -1 1 382.419 1.891 20 0 GDADMM C[C@@H]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001576173308 949840328 /nfs/dbraw/zinc/84/03/28/949840328.db2.gz XAEANCAZNXJCTK-APIJFGDWSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001576173308 949840349 /nfs/dbraw/zinc/84/03/49/949840349.db2.gz XAEANCAZNXJCTK-APIJFGDWSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](CN(C)C(=O)CCCc1cccnc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574722873 949843317 /nfs/dbraw/zinc/84/33/17/949843317.db2.gz XKGBUZRPYWERQW-CYBMUJFWSA-N -1 1 381.444 1.333 20 0 GDADMM C[C@H](CN(C)C(=O)CCCc1cccnc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574722873 949843342 /nfs/dbraw/zinc/84/33/42/949843342.db2.gz XKGBUZRPYWERQW-CYBMUJFWSA-N -1 1 381.444 1.333 20 0 GDADMM C[C@@H]1CCCC[C@H]1CC(=O)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001576173871 949848942 /nfs/dbraw/zinc/84/89/42/949848942.db2.gz ZNYHBOSERNDXTA-CABCVRRESA-N -1 1 384.488 1.912 20 0 GDADMM C[C@@H]1CCCC[C@H]1CC(=O)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001576173871 949848962 /nfs/dbraw/zinc/84/89/62/949848962.db2.gz ZNYHBOSERNDXTA-CABCVRRESA-N -1 1 384.488 1.912 20 0 GDADMM C[C@H](CNC(=O)c1c(F)cc(F)cc1F)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574966422 949850535 /nfs/dbraw/zinc/85/05/35/949850535.db2.gz YPRDDEMRAAOYFZ-QMMMGPOBSA-N -1 1 392.345 1.552 20 0 GDADMM C[C@H](CNC(=O)c1c(F)cc(F)cc1F)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574966422 949850558 /nfs/dbraw/zinc/85/05/58/949850558.db2.gz YPRDDEMRAAOYFZ-QMMMGPOBSA-N -1 1 392.345 1.552 20 0 GDADMM CC(C)C[C@H](C)CC(=O)NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001574141652 949851682 /nfs/dbraw/zinc/85/16/82/949851682.db2.gz UWEJBCHUOVPYPT-ZQDZILKHSA-N -1 1 384.488 1.527 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)NC[C@@H]1COCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001574142402 949870382 /nfs/dbraw/zinc/87/03/82/949870382.db2.gz YOQVHWQDXJQGMK-ZIAGYGMSSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)NC[C@@H]1COCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001574142402 949870405 /nfs/dbraw/zinc/87/04/05/949870405.db2.gz YOQVHWQDXJQGMK-ZIAGYGMSSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@H](CC(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1)[C@H]1CCCO1 ZINC001574484287 949873308 /nfs/dbraw/zinc/87/33/08/949873308.db2.gz XUVGEFOJBJCFCW-UKRRQHHQSA-N -1 1 390.513 1.778 20 0 GDADMM CC(C)(C)[C@@H]1CCN(S(=O)(=O)Cc2csc(-c3nn[n-]n3)c2)CCO1 ZINC001573825645 949888604 /nfs/dbraw/zinc/88/86/04/949888604.db2.gz AIAJNIYJTQSLGS-ZDUSSCGKSA-N -1 1 385.515 1.895 20 0 GDADMM CC1(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)CC2(C)C)CCCC1 ZINC001575568916 949904725 /nfs/dbraw/zinc/90/47/25/949904725.db2.gz DJYQWQLYIKNJPS-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)CC2(C)C)CCCC1 ZINC001575568916 949904745 /nfs/dbraw/zinc/90/47/45/949904745.db2.gz DJYQWQLYIKNJPS-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C)/C=C\C(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@@]2(C)C1 ZINC001573827535 949920080 /nfs/dbraw/zinc/92/00/80/949920080.db2.gz MDSIABOJLKCILR-UQVSHCNZSA-N -1 1 382.472 1.544 20 0 GDADMM CC(C)(C)/C=C\C(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@]2(C)C1 ZINC001573827535 949920101 /nfs/dbraw/zinc/92/01/01/949920101.db2.gz MDSIABOJLKCILR-UQVSHCNZSA-N -1 1 382.472 1.544 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001574485577 949924334 /nfs/dbraw/zinc/92/43/34/949924334.db2.gz YCQXIJHBMUEEML-CHWSQXEVSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001574485577 949924354 /nfs/dbraw/zinc/92/43/54/949924354.db2.gz YCQXIJHBMUEEML-CHWSQXEVSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@H](CC(=O)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1)c1ccccc1 ZINC001574485285 949926213 /nfs/dbraw/zinc/92/62/13/949926213.db2.gz WPSGBJOIJMSNLV-OAHLLOKOSA-N -1 1 392.467 1.889 20 0 GDADMM C[C@H](CC(=O)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1)c1ccccc1 ZINC001574485285 949926246 /nfs/dbraw/zinc/92/62/46/949926246.db2.gz WPSGBJOIJMSNLV-OAHLLOKOSA-N -1 1 392.467 1.889 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2cc(Cl)no2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575889840 949939480 /nfs/dbraw/zinc/93/94/80/949939480.db2.gz UIMNTUJHZCOXIN-DTWKUNHWSA-N -1 1 389.807 1.085 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2cc(Cl)no2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575889840 949939498 /nfs/dbraw/zinc/93/94/98/949939498.db2.gz UIMNTUJHZCOXIN-DTWKUNHWSA-N -1 1 389.807 1.085 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574146074 949939363 /nfs/dbraw/zinc/93/93/63/949939363.db2.gz WWMXGOLEVKJFQU-ZIAGYGMSSA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574146074 949939388 /nfs/dbraw/zinc/93/93/88/949939388.db2.gz WWMXGOLEVKJFQU-ZIAGYGMSSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CN(C)C(=O)COc1ccc(F)cc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574726519 949939643 /nfs/dbraw/zinc/93/96/43/949939643.db2.gz JRDOWKPADBYFCL-NSHDSACASA-N -1 1 386.391 1.134 20 0 GDADMM C[C@@H](CN(C)C(=O)COc1ccc(F)cc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574726519 949939655 /nfs/dbraw/zinc/93/96/55/949939655.db2.gz JRDOWKPADBYFCL-NSHDSACASA-N -1 1 386.391 1.134 20 0 GDADMM C[C@@H](NC(=O)CN(C)c1ccccc1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575285497 949948241 /nfs/dbraw/zinc/94/82/41/949948241.db2.gz NVWIKLCXAAGTHR-QWHCGFSZSA-N -1 1 381.444 1.098 20 0 GDADMM C[C@@H](NC(=O)CN(C)c1ccccc1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575285497 949948255 /nfs/dbraw/zinc/94/82/55/949948255.db2.gz NVWIKLCXAAGTHR-QWHCGFSZSA-N -1 1 381.444 1.098 20 0 GDADMM CC(C)(C)CC(=O)N1CCC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)CC[C@@H]21 ZINC001573829980 949964840 /nfs/dbraw/zinc/96/48/40/949964840.db2.gz GIIWPRAWRACCFL-ZFWWWQNUSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)(C)CC(=O)N1CCC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)CC[C@@H]21 ZINC001573829980 949964859 /nfs/dbraw/zinc/96/48/59/949964859.db2.gz GIIWPRAWRACCFL-ZFWWWQNUSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2ccccc2F)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575890868 949970815 /nfs/dbraw/zinc/97/08/15/949970815.db2.gz APVMVJQQSYXCML-FZMZJTMJSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2ccccc2F)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575890868 949970835 /nfs/dbraw/zinc/97/08/35/949970835.db2.gz APVMVJQQSYXCML-FZMZJTMJSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@@H]1CCN(C(=O)C2CC(C)(C)C2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576180875 949974255 /nfs/dbraw/zinc/97/42/55/949974255.db2.gz FXKGGRDYIOVZTD-OCCSQVGLSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H]1CCN(C(=O)C2CC(C)(C)C2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576180875 949974272 /nfs/dbraw/zinc/97/42/72/949974272.db2.gz FXKGGRDYIOVZTD-OCCSQVGLSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H]1CCN(C(=O)C2CC(C)(C)C2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576180873 949975772 /nfs/dbraw/zinc/97/57/72/949975772.db2.gz FXKGGRDYIOVZTD-JSGCOSHPSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H]1CCN(C(=O)C2CC(C)(C)C2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576180873 949975801 /nfs/dbraw/zinc/97/58/01/949975801.db2.gz FXKGGRDYIOVZTD-JSGCOSHPSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1)c1ccccc1 ZINC001574489978 949976035 /nfs/dbraw/zinc/97/60/35/949976035.db2.gz MHJXXFQSKMNLON-BPUTZDHNSA-N -1 1 390.451 1.640 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1)c1ccccc1 ZINC001574489978 949976054 /nfs/dbraw/zinc/97/60/54/949976054.db2.gz MHJXXFQSKMNLON-BPUTZDHNSA-N -1 1 390.451 1.640 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(CCF)CC2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576180879 949977351 /nfs/dbraw/zinc/97/73/51/949977351.db2.gz FXSCSHDRBUPMPP-CHWSQXEVSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(CCF)CC2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576180879 949977367 /nfs/dbraw/zinc/97/73/67/949977367.db2.gz FXSCSHDRBUPMPP-CHWSQXEVSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2ccc(F)cc2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575891082 949983696 /nfs/dbraw/zinc/98/36/96/949983696.db2.gz DSTXTYPXBQTEBR-SMDDNHRTSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2ccc(F)cc2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575891082 949983712 /nfs/dbraw/zinc/98/37/12/949983712.db2.gz DSTXTYPXBQTEBR-SMDDNHRTSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@@H]1CCN(C(=O)Cc2ccccc2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576181015 949986911 /nfs/dbraw/zinc/98/69/11/949986911.db2.gz GQNBVCUCXLYQOX-ZBFHGGJFSA-N -1 1 392.467 1.796 20 0 GDADMM C[C@@H]1CCN(C(=O)Cc2ccccc2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576181015 949986933 /nfs/dbraw/zinc/98/69/33/949986933.db2.gz GQNBVCUCXLYQOX-ZBFHGGJFSA-N -1 1 392.467 1.796 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccsn2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576181271 949995869 /nfs/dbraw/zinc/99/58/69/949995869.db2.gz LKUVXEKHYCOPJF-PWSUYJOCSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccsn2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576181271 949995883 /nfs/dbraw/zinc/99/58/83/949995883.db2.gz LKUVXEKHYCOPJF-PWSUYJOCSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ccc(Cl)o2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575891287 949997375 /nfs/dbraw/zinc/99/73/75/949997375.db2.gz HIWKFDVXPHZDED-ZJUUUORDSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@@]1(C(=O)NC[C@@H](CO)Nc2nc(Cl)c(-c3nnn[n-]3)s2)C=CCC1 ZINC001575573553 949998577 /nfs/dbraw/zinc/99/85/77/949998577.db2.gz MYWPQEGDBBMYAL-RMLUDKJBSA-N -1 1 383.865 1.222 20 0 GDADMM C[C@@]1(C(=O)NC[C@@H](CO)Nc2nc(Cl)c(-c3nn[n-]n3)s2)C=CCC1 ZINC001575573553 949998600 /nfs/dbraw/zinc/99/86/00/949998600.db2.gz MYWPQEGDBBMYAL-RMLUDKJBSA-N -1 1 383.865 1.222 20 0 GDADMM CC1(C(=O)NC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C2CC2)CC(F)(F)C1 ZINC001575573853 950007541 /nfs/dbraw/zinc/00/75/41/950007541.db2.gz PTUSCHMIIALILF-SNVBAGLBSA-N -1 1 378.387 1.399 20 0 GDADMM CC1(C(=O)NC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C2CC2)CC(F)(F)C1 ZINC001575573853 950007563 /nfs/dbraw/zinc/00/75/63/950007563.db2.gz PTUSCHMIIALILF-SNVBAGLBSA-N -1 1 378.387 1.399 20 0 GDADMM C[C@@H]1CCN(C(=O)C2CC(C)(C)C2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576181701 950016132 /nfs/dbraw/zinc/01/61/32/950016132.db2.gz JDPXVEJIAAEPOT-OCCSQVGLSA-N -1 1 384.488 1.411 20 0 GDADMM CC(C)(C)CC(=O)NC1(C2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)CC1 ZINC001573834481 950019197 /nfs/dbraw/zinc/01/91/97/950019197.db2.gz GYLZPLZOJDJMEZ-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C)CC(=O)NC1(C2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)CC1 ZINC001573834481 950019219 /nfs/dbraw/zinc/01/92/19/950019219.db2.gz GYLZPLZOJDJMEZ-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CC(=O)N[C@@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001574491160 950025872 /nfs/dbraw/zinc/02/58/72/950025872.db2.gz AGKCSHOJUNFINZ-UGSOOPFHSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](CC(=O)N[C@@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001574491160 950025895 /nfs/dbraw/zinc/02/58/95/950025895.db2.gz AGKCSHOJUNFINZ-UGSOOPFHSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H]1CCN(C(=O)CCC2(C)CC2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576182021 950034178 /nfs/dbraw/zinc/03/41/78/950034178.db2.gz KMQRZMCZGIWOAX-KBPBESRZSA-N -1 1 384.488 1.555 20 0 GDADMM C[C@@H](CC(=O)N[C@@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001574491751 950047089 /nfs/dbraw/zinc/04/70/89/950047089.db2.gz FLFKJYQHRMDIJI-XPTSAGLGSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](CC(=O)N[C@@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574491751 950047109 /nfs/dbraw/zinc/04/71/09/950047109.db2.gz FLFKJYQHRMDIJI-XPTSAGLGSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(C)CC(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CCCCC1 ZINC001573835540 950050945 /nfs/dbraw/zinc/05/09/45/950050945.db2.gz XQHXWOIRYFOUFG-CQSZACIVSA-N -1 1 386.504 1.992 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cnco2)[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576183447 950089440 /nfs/dbraw/zinc/08/94/40/950089440.db2.gz SBBYJEINEBVICV-AAEUAGOBSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cnco2)[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576183447 950089456 /nfs/dbraw/zinc/08/94/56/950089456.db2.gz SBBYJEINEBVICV-AAEUAGOBSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@H](CNC(=O)C[C@H](C)c1ccncc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574492562 950092267 /nfs/dbraw/zinc/09/22/67/950092267.db2.gz BGYHMCGLDSBWIY-QWHCGFSZSA-N -1 1 381.444 1.186 20 0 GDADMM C[C@H](CNC(=O)C[C@H](C)c1ccncc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574492562 950092289 /nfs/dbraw/zinc/09/22/89/950092289.db2.gz BGYHMCGLDSBWIY-QWHCGFSZSA-N -1 1 381.444 1.186 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(CF)CCC2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576183907 950104379 /nfs/dbraw/zinc/10/43/79/950104379.db2.gz SCEUUCRFKFXFCP-OLZOCXBDSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(CF)CCC2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576183907 950104393 /nfs/dbraw/zinc/10/43/93/950104393.db2.gz SCEUUCRFKFXFCP-OLZOCXBDSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@@H](CC(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1)c1ccco1 ZINC001574492714 950105307 /nfs/dbraw/zinc/10/53/07/950105307.db2.gz OZZQPWOVSNKYCJ-HIFPTAJRSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](CC(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1)c1ccco1 ZINC001574492714 950105317 /nfs/dbraw/zinc/10/53/17/950105317.db2.gz OZZQPWOVSNKYCJ-HIFPTAJRSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccon2)[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576184277 950118377 /nfs/dbraw/zinc/11/83/77/950118377.db2.gz VSZGNEXMGSTGFM-RISCZKNCSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccon2)[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576184277 950118390 /nfs/dbraw/zinc/11/83/90/950118390.db2.gz VSZGNEXMGSTGFM-RISCZKNCSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001574493295 950121772 /nfs/dbraw/zinc/12/17/72/950121772.db2.gz RZQCQWIQLXTQPP-KBPBESRZSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001574493295 950121786 /nfs/dbraw/zinc/12/17/86/950121786.db2.gz RZQCQWIQLXTQPP-KBPBESRZSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@]1(C)c1ccccc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574734187 950129237 /nfs/dbraw/zinc/12/92/37/950129237.db2.gz KMXBLLJOYUWSLA-IAMHBRQHSA-N -1 1 392.467 1.893 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@]1(C)c1ccccc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574734187 950129252 /nfs/dbraw/zinc/12/92/52/950129252.db2.gz KMXBLLJOYUWSLA-IAMHBRQHSA-N -1 1 392.467 1.893 20 0 GDADMM CC(C)(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001573839367 950129614 /nfs/dbraw/zinc/12/96/14/950129614.db2.gz SAGIKHROCLAXPS-BTTYYORXSA-N -1 1 384.488 1.957 20 0 GDADMM CC(C)(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001573839367 950129639 /nfs/dbraw/zinc/12/96/39/950129639.db2.gz SAGIKHROCLAXPS-BTTYYORXSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccsc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574734937 950148874 /nfs/dbraw/zinc/14/88/74/950148874.db2.gz VNGAWGJYXBCHKM-KGYLQXTDSA-N -1 1 384.469 1.203 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@]12C[C@H]1COC2)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574734979 950154564 /nfs/dbraw/zinc/15/45/64/950154564.db2.gz WMKCQQRVYCKFPR-FZVNPBSJSA-N -1 1 383.865 1.272 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nn1)CC(C)(C)C ZINC001574494326 950159654 /nfs/dbraw/zinc/15/96/54/950159654.db2.gz KGIVBMVXYUPTSO-RYUDHWBXSA-N -1 1 376.465 1.008 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nn1)CC(C)(C)C ZINC001574494326 950159670 /nfs/dbraw/zinc/15/96/70/950159670.db2.gz KGIVBMVXYUPTSO-RYUDHWBXSA-N -1 1 376.465 1.008 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CSC(C)C ZINC001574154643 950174241 /nfs/dbraw/zinc/17/42/41/950174241.db2.gz FRACYWYNPZGBAO-GFCCVEGCSA-N -1 1 378.506 1.741 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CSC(C)C ZINC001574154643 950174259 /nfs/dbraw/zinc/17/42/59/950174259.db2.gz FRACYWYNPZGBAO-GFCCVEGCSA-N -1 1 378.506 1.741 20 0 GDADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1Cc2ccccc21 ZINC001574154759 950178267 /nfs/dbraw/zinc/17/82/67/950178267.db2.gz HDZIZZDOUQCPEI-GOEBONIOSA-N -1 1 392.467 1.361 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CC[C@H]1CCCO1 ZINC001574155430 950192840 /nfs/dbraw/zinc/19/28/40/950192840.db2.gz KWPUWYXKSDHLFK-UONOGXRCSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CC[C@H]1CCCO1 ZINC001574155430 950192850 /nfs/dbraw/zinc/19/28/50/950192850.db2.gz KWPUWYXKSDHLFK-UONOGXRCSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cccc(=O)[nH]1 ZINC001574155533 950196214 /nfs/dbraw/zinc/19/62/14/950196214.db2.gz NALVDVLXNASEJZ-NSHDSACASA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cccc(=O)[nH]1 ZINC001574155533 950196228 /nfs/dbraw/zinc/19/62/28/950196228.db2.gz NALVDVLXNASEJZ-NSHDSACASA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)C(F)(F)F ZINC001574155578 950202676 /nfs/dbraw/zinc/20/26/76/950202676.db2.gz OHFBMFXTWVTXCJ-NXEZZACHSA-N -1 1 386.382 1.220 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccccc1 ZINC001574496496 950217761 /nfs/dbraw/zinc/21/77/61/950217761.db2.gz WSVANSPFAHJOSL-HIFRSBDPSA-N -1 1 378.440 1.545 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccccc1 ZINC001574496496 950217779 /nfs/dbraw/zinc/21/77/79/950217779.db2.gz WSVANSPFAHJOSL-HIFRSBDPSA-N -1 1 378.440 1.545 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccccc1 ZINC001574496498 950218960 /nfs/dbraw/zinc/21/89/60/950218960.db2.gz WSVANSPFAHJOSL-UKRRQHHQSA-N -1 1 378.440 1.545 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccccc1 ZINC001574496498 950218984 /nfs/dbraw/zinc/21/89/84/950218984.db2.gz WSVANSPFAHJOSL-UKRRQHHQSA-N -1 1 378.440 1.545 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H](C)c1ccco1 ZINC001574156232 950234883 /nfs/dbraw/zinc/23/48/83/950234883.db2.gz ZGYZZCNKNVVDLX-QWHCGFSZSA-N -1 1 384.444 1.996 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H](C)c1ccco1 ZINC001574156232 950234897 /nfs/dbraw/zinc/23/48/97/950234897.db2.gz ZGYZZCNKNVVDLX-QWHCGFSZSA-N -1 1 384.444 1.996 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C1(F)CCOCC1 ZINC001574157434 950237539 /nfs/dbraw/zinc/23/75/39/950237539.db2.gz BGJMMZGDMIAFJC-GFCCVEGCSA-N -1 1 392.439 1.118 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C1(F)CCOCC1 ZINC001574157434 950237554 /nfs/dbraw/zinc/23/75/54/950237554.db2.gz BGJMMZGDMIAFJC-GFCCVEGCSA-N -1 1 392.439 1.118 20 0 GDADMM CC1(C(=O)NCC2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)CCCCC1 ZINC001575587744 950239567 /nfs/dbraw/zinc/23/95/67/950239567.db2.gz OALYTEXZZBYOKU-UHFFFAOYSA-N -1 1 384.488 1.960 20 0 GDADMM CC1(C(=O)NCC2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)CCCCC1 ZINC001575587744 950239579 /nfs/dbraw/zinc/23/95/79/950239579.db2.gz OALYTEXZZBYOKU-UHFFFAOYSA-N -1 1 384.488 1.960 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)COC1CCCC1 ZINC001574157553 950240489 /nfs/dbraw/zinc/24/04/89/950240489.db2.gz CUVYRNBQETYQBP-CYBMUJFWSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)COC1CCCC1 ZINC001574157553 950240504 /nfs/dbraw/zinc/24/05/04/950240504.db2.gz CUVYRNBQETYQBP-CYBMUJFWSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCC1)n1cccc1 ZINC001574497979 950252939 /nfs/dbraw/zinc/25/29/39/950252939.db2.gz HQHWYSGAKNDGJT-CYBMUJFWSA-N -1 1 381.444 1.560 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCC1)n1cccc1 ZINC001574497979 950252958 /nfs/dbraw/zinc/25/29/58/950252958.db2.gz HQHWYSGAKNDGJT-CYBMUJFWSA-N -1 1 381.444 1.560 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@]1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573846749 950254273 /nfs/dbraw/zinc/25/42/73/950254273.db2.gz VDNNNQKGHUOFOJ-XEKQOVJPSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@]1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573846749 950254287 /nfs/dbraw/zinc/25/42/87/950254287.db2.gz VDNNNQKGHUOFOJ-XEKQOVJPSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C(=O)NCC[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CCCCC1 ZINC001575592045 950278840 /nfs/dbraw/zinc/27/88/40/950278840.db2.gz ANAYNYHZWABWBR-AWEZNQCLSA-N -1 1 384.488 1.960 20 0 GDADMM CC1(C(=O)NCC[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CCCCC1 ZINC001575592045 950278858 /nfs/dbraw/zinc/27/88/58/950278858.db2.gz ANAYNYHZWABWBR-AWEZNQCLSA-N -1 1 384.488 1.960 20 0 GDADMM C[C@@]1(C(=O)NCCCNc2snc(Cl)c2-c2nnn[n-]2)CCCOC1 ZINC001575593853 950322436 /nfs/dbraw/zinc/32/24/36/950322436.db2.gz OWJFAQIVRUTBIL-CQSZACIVSA-N -1 1 385.881 1.712 20 0 GDADMM C[C@@]1(C(=O)NCCCNc2snc(Cl)c2-c2nn[n-]n2)CCCOC1 ZINC001575593853 950322459 /nfs/dbraw/zinc/32/24/59/950322459.db2.gz OWJFAQIVRUTBIL-CQSZACIVSA-N -1 1 385.881 1.712 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)[C@@H](F)C1 ZINC001573853714 950331392 /nfs/dbraw/zinc/33/13/92/950331392.db2.gz UBWBIPGUSVZAFN-RYUDHWBXSA-N -1 1 391.407 1.339 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H](F)C1 ZINC001573853714 950331413 /nfs/dbraw/zinc/33/14/13/950331413.db2.gz UBWBIPGUSVZAFN-RYUDHWBXSA-N -1 1 391.407 1.339 20 0 GDADMM C[C@H]1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C[C@H]1C(=O)OC(C)(C)C ZINC001576194319 950339643 /nfs/dbraw/zinc/33/96/43/950339643.db2.gz YTJZEMZDABMTFW-WDEREUQCSA-N -1 1 390.448 1.432 20 0 GDADMM C[C@H]1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C[C@H]1C(=O)OC(C)(C)C ZINC001576194319 950339661 /nfs/dbraw/zinc/33/96/61/950339661.db2.gz YTJZEMZDABMTFW-WDEREUQCSA-N -1 1 390.448 1.432 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H](C)n1cccn1 ZINC001574161758 950362846 /nfs/dbraw/zinc/36/28/46/950362846.db2.gz WRRGUPDGNCXVOZ-CHWSQXEVSA-N -1 1 384.448 1.057 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)n1cccn1 ZINC001574161758 950362869 /nfs/dbraw/zinc/36/28/69/950362869.db2.gz WRRGUPDGNCXVOZ-CHWSQXEVSA-N -1 1 384.448 1.057 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc(C(C)(C)C)on1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574746336 950398311 /nfs/dbraw/zinc/39/83/11/950398311.db2.gz NPNXDCQAHXYUQV-SNVBAGLBSA-N -1 1 385.432 1.515 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc(C(C)(C)C)on1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574746336 950398330 /nfs/dbraw/zinc/39/83/30/950398330.db2.gz NPNXDCQAHXYUQV-SNVBAGLBSA-N -1 1 385.432 1.515 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001574503412 950411035 /nfs/dbraw/zinc/41/10/35/950411035.db2.gz VSLKVIYLKCBIDM-UWVGGRQHSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001574503412 950411052 /nfs/dbraw/zinc/41/10/52/950411052.db2.gz VSLKVIYLKCBIDM-UWVGGRQHSA-N -1 1 384.366 1.188 20 0 GDADMM CC(C)CC1(C(=O)N2CC[C@@H](N(C)c3ccc(-c4nnn[n-]4)nn3)C2)CCC1 ZINC001574163146 950418529 /nfs/dbraw/zinc/41/85/29/950418529.db2.gz QDPJFOBLAOZMRS-CQSZACIVSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CC1(C(=O)N2CC[C@@H](N(C)c3ccc(-c4nn[n-]n4)nn3)C2)CCC1 ZINC001574163146 950418550 /nfs/dbraw/zinc/41/85/50/950418550.db2.gz QDPJFOBLAOZMRS-CQSZACIVSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](CC(=O)NCC1CC(Nc2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001574504031 950422954 /nfs/dbraw/zinc/42/29/54/950422954.db2.gz ZKZRDFLOMDIMNY-IYXRBSQSSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](CC(=O)NCC1CC(Nc2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001574504031 950422967 /nfs/dbraw/zinc/42/29/67/950422967.db2.gz ZKZRDFLOMDIMNY-IYXRBSQSSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1cccnc1 ZINC001575910690 950429335 /nfs/dbraw/zinc/42/93/35/950429335.db2.gz AQUKTOHHVARUOZ-JSGCOSHPSA-N -1 1 379.428 1.086 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCc1cccnc1 ZINC001575910690 950429341 /nfs/dbraw/zinc/42/93/41/950429341.db2.gz AQUKTOHHVARUOZ-JSGCOSHPSA-N -1 1 379.428 1.086 20 0 GDADMM CC1(C(=O)NCc2cccc3c2CCN(c2nccnc2-c2nnn[n-]2)C3)CC1 ZINC001575600150 950435466 /nfs/dbraw/zinc/43/54/66/950435466.db2.gz SORDFZVTESSEEK-UHFFFAOYSA-N -1 1 390.451 1.636 20 0 GDADMM CC1(C(=O)NCc2cccc3c2CCN(c2nccnc2-c2nn[n-]n2)C3)CC1 ZINC001575600150 950435484 /nfs/dbraw/zinc/43/54/84/950435484.db2.gz SORDFZVTESSEEK-UHFFFAOYSA-N -1 1 390.451 1.636 20 0 GDADMM CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)c2coc(-c3nnn[n-]3)c2)C1(C)C ZINC001573861113 950440806 /nfs/dbraw/zinc/44/08/06/950440806.db2.gz UGIVHRZNNBYEPM-RYUDHWBXSA-N -1 1 376.417 1.881 20 0 GDADMM CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)c2coc(-c3nn[n-]n3)c2)C1(C)C ZINC001573861113 950440816 /nfs/dbraw/zinc/44/08/16/950440816.db2.gz UGIVHRZNNBYEPM-RYUDHWBXSA-N -1 1 376.417 1.881 20 0 GDADMM CCN(CC)CCN(C(=O)/C=C\c1ccc(C(=O)[O-])o1)[C@H]1CCS(=O)(=O)C1 ZINC001589724910 950450165 /nfs/dbraw/zinc/45/01/65/950450165.db2.gz PHUMIGZTTDBHRP-QPBFKRLHSA-N -1 1 398.481 1.349 20 0 GDADMM CC(C)CC1(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CCCC1 ZINC001574166092 950458002 /nfs/dbraw/zinc/45/80/02/950458002.db2.gz LLLGDMLWWVOGAT-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CC1(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CCCC1 ZINC001574166092 950458012 /nfs/dbraw/zinc/45/80/12/950458012.db2.gz LLLGDMLWWVOGAT-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC[C@H]1F ZINC001573862658 950473062 /nfs/dbraw/zinc/47/30/62/950473062.db2.gz ZZIMTUHILLGIFN-DGCLKSJQSA-N -1 1 391.407 1.339 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC[C@H]1F ZINC001573862658 950473075 /nfs/dbraw/zinc/47/30/75/950473075.db2.gz ZZIMTUHILLGIFN-DGCLKSJQSA-N -1 1 391.407 1.339 20 0 GDADMM C[C@@H](CC(=O)NCCN(C)c1cncc(-c2nnn[n-]2)n1)c1ccccc1F ZINC001574508678 950482012 /nfs/dbraw/zinc/48/20/12/950482012.db2.gz MAMIFFHXISOIGP-LBPRGKRZSA-N -1 1 384.419 1.542 20 0 GDADMM C[C@@H](CC(=O)NCCN(C)c1cncc(-c2nn[n-]n2)n1)c1ccccc1F ZINC001574508678 950482032 /nfs/dbraw/zinc/48/20/32/950482032.db2.gz MAMIFFHXISOIGP-LBPRGKRZSA-N -1 1 384.419 1.542 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc(C(F)F)nc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574752927 950502533 /nfs/dbraw/zinc/50/25/33/950502533.db2.gz GIZDMUBINDUILR-SECBINFHSA-N -1 1 389.370 1.562 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc(C(F)F)nc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574752927 950502548 /nfs/dbraw/zinc/50/25/48/950502548.db2.gz GIZDMUBINDUILR-SECBINFHSA-N -1 1 389.370 1.562 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1cccs1 ZINC001575915806 950521694 /nfs/dbraw/zinc/52/16/94/950521694.db2.gz ORZHDJPPAACUKU-YPMHNXCESA-N -1 1 384.469 1.752 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCc1cccs1 ZINC001575915806 950521712 /nfs/dbraw/zinc/52/17/12/950521712.db2.gz ORZHDJPPAACUKU-YPMHNXCESA-N -1 1 384.469 1.752 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573869268 950563057 /nfs/dbraw/zinc/56/30/57/950563057.db2.gz NLNIZYLGYOXNHS-STQMWFEESA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573869268 950563064 /nfs/dbraw/zinc/56/30/64/950563064.db2.gz NLNIZYLGYOXNHS-STQMWFEESA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCCC(F)(F)F ZINC001575917346 950564884 /nfs/dbraw/zinc/56/48/84/950564884.db2.gz WQSZCXLHBXACBO-UWVGGRQHSA-N -1 1 384.366 1.791 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCCC(F)(F)F ZINC001575917346 950564918 /nfs/dbraw/zinc/56/49/18/950564918.db2.gz WQSZCXLHBXACBO-UWVGGRQHSA-N -1 1 384.366 1.791 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccc(F)c(F)c1 ZINC001575918171 950586227 /nfs/dbraw/zinc/58/62/27/950586227.db2.gz AVTHYBSPYHIMLO-TVQRCGJNSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccc(F)c(F)c1 ZINC001575918171 950586236 /nfs/dbraw/zinc/58/62/36/950586236.db2.gz AVTHYBSPYHIMLO-TVQRCGJNSA-N -1 1 386.366 1.650 20 0 GDADMM CC1(C)C(C(=O)NC[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1(C)C ZINC001575617328 950600322 /nfs/dbraw/zinc/60/03/22/950600322.db2.gz ANZVTNZGBOTTEL-GFCCVEGCSA-N -1 1 384.488 1.672 20 0 GDADMM CC1(C)C(C(=O)NC[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1(C)C ZINC001575617328 950600329 /nfs/dbraw/zinc/60/03/29/950600329.db2.gz ANZVTNZGBOTTEL-GFCCVEGCSA-N -1 1 384.488 1.672 20 0 GDADMM CC1(C)C(C(=O)NCC2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1(C)C ZINC001575617596 950603888 /nfs/dbraw/zinc/60/38/88/950603888.db2.gz CYKSBEIWNFTJMS-UHFFFAOYSA-N -1 1 384.488 1.672 20 0 GDADMM CC1(C)C(C(=O)NCC2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)C1(C)C ZINC001575617596 950603902 /nfs/dbraw/zinc/60/39/02/950603902.db2.gz CYKSBEIWNFTJMS-UHFFFAOYSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccc(CF)cc1 ZINC001575919608 950616376 /nfs/dbraw/zinc/61/63/76/950616376.db2.gz IIXWBRTUPWFNIE-BXUZGUMPSA-N -1 1 382.403 1.841 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccc(CF)cc1 ZINC001575919608 950616390 /nfs/dbraw/zinc/61/63/90/950616390.db2.gz IIXWBRTUPWFNIE-BXUZGUMPSA-N -1 1 382.403 1.841 20 0 GDADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1ccccc1 ZINC001575919844 950624749 /nfs/dbraw/zinc/62/47/49/950624749.db2.gz KNMRDCMFSGRLNO-DZGCQCFKSA-N -1 1 378.440 1.113 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccc(Cl)cn1 ZINC001575922453 950645689 /nfs/dbraw/zinc/64/56/89/950645689.db2.gz PPBFTIYYNMUCLV-KOLCDFICSA-N -1 1 385.819 1.420 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccc(Cl)cn1 ZINC001575922453 950645701 /nfs/dbraw/zinc/64/57/01/950645701.db2.gz PPBFTIYYNMUCLV-KOLCDFICSA-N -1 1 385.819 1.420 20 0 GDADMM C[C@@H]1CCN(S(=O)(=O)c2c3ccccc3sc2-c2nn[n-]n2)C[C@H]1O ZINC001576213790 950646323 /nfs/dbraw/zinc/64/63/23/950646323.db2.gz IFFWDAXPUJXMFS-MWLCHTKSSA-N -1 1 379.467 1.473 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cccc2c1OCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574759909 950651409 /nfs/dbraw/zinc/65/14/09/950651409.db2.gz PXCQTJKNQLMVLX-NSHDSACASA-N -1 1 380.412 1.164 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cccc2c1OCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574759909 950651418 /nfs/dbraw/zinc/65/14/18/950651418.db2.gz PXCQTJKNQLMVLX-NSHDSACASA-N -1 1 380.412 1.164 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)c(F)c(F)c1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575002349 950661781 /nfs/dbraw/zinc/66/17/81/950661781.db2.gz STPNGEMGDTVABG-QMMMGPOBSA-N -1 1 392.345 1.552 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)c(F)c(F)c1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575002349 950661797 /nfs/dbraw/zinc/66/17/97/950661797.db2.gz STPNGEMGDTVABG-QMMMGPOBSA-N -1 1 392.345 1.552 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cccc(N(C)C)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574760725 950675627 /nfs/dbraw/zinc/67/56/27/950675627.db2.gz YQIFOIJVHKEVAG-LBPRGKRZSA-N -1 1 381.444 1.295 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cccc(N(C)C)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574760725 950675639 /nfs/dbraw/zinc/67/56/39/950675639.db2.gz YQIFOIJVHKEVAG-LBPRGKRZSA-N -1 1 381.444 1.295 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccncc1 ZINC001574519380 950676771 /nfs/dbraw/zinc/67/67/71/950676771.db2.gz UHJJKWNPGBLBIB-MRVWCRGKSA-N -1 1 379.428 1.305 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccncc1 ZINC001574519380 950676789 /nfs/dbraw/zinc/67/67/89/950676789.db2.gz UHJJKWNPGBLBIB-MRVWCRGKSA-N -1 1 379.428 1.305 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001573876710 950678569 /nfs/dbraw/zinc/67/85/69/950678569.db2.gz SROXWEDIQNNUNA-XJFOESAGSA-N -1 1 382.472 1.519 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001573876710 950678582 /nfs/dbraw/zinc/67/85/82/950678582.db2.gz SROXWEDIQNNUNA-XJFOESAGSA-N -1 1 382.472 1.519 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc2[nH]ccc2c1 ZINC001575925392 950684776 /nfs/dbraw/zinc/68/47/76/950684776.db2.gz URNAWGXBRSODIO-RISCZKNCSA-N -1 1 389.423 1.275 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1C[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001573877444 950688163 /nfs/dbraw/zinc/68/81/63/950688163.db2.gz AWTHLGBLZRUGJQ-LXTVHRRPSA-N -1 1 396.499 1.624 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1C[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001573877444 950688189 /nfs/dbraw/zinc/68/81/89/950688189.db2.gz AWTHLGBLZRUGJQ-LXTVHRRPSA-N -1 1 396.499 1.624 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573878052 950701479 /nfs/dbraw/zinc/70/14/79/950701479.db2.gz IYTRNYFLJWZEKS-MGPQQGTHSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573878052 950701498 /nfs/dbraw/zinc/70/14/98/950701498.db2.gz IYTRNYFLJWZEKS-MGPQQGTHSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001573878389 950705481 /nfs/dbraw/zinc/70/54/81/950705481.db2.gz OVYFQONUSWFEIT-MCIONIFRSA-N -1 1 396.499 1.814 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001573878389 950705501 /nfs/dbraw/zinc/70/55/01/950705501.db2.gz OVYFQONUSWFEIT-MCIONIFRSA-N -1 1 396.499 1.814 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576215737 950709922 /nfs/dbraw/zinc/70/99/22/950709922.db2.gz BKFLEXWXRRLZFF-VHSXEESVSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576215737 950709937 /nfs/dbraw/zinc/70/99/37/950709937.db2.gz BKFLEXWXRRLZFF-VHSXEESVSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576215836 950715907 /nfs/dbraw/zinc/71/59/07/950715907.db2.gz BUGHFRDAGAJKER-QWRGUYRKSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576215836 950715916 /nfs/dbraw/zinc/71/59/16/950715916.db2.gz BUGHFRDAGAJKER-QWRGUYRKSA-N -1 1 392.414 1.599 20 0 GDADMM CC1(C)CC(C(=O)NC2(CNc3cnc(-c4nnn[n-]4)cn3)CCOCC2)C1 ZINC001575629105 950730891 /nfs/dbraw/zinc/73/08/91/950730891.db2.gz LKQGSMXJFYZTNC-UHFFFAOYSA-N -1 1 386.460 1.170 20 0 GDADMM CC1(C)CC(C(=O)NC2(CNc3cnc(-c4nn[n-]n4)cn3)CCOCC2)C1 ZINC001575629105 950730902 /nfs/dbraw/zinc/73/09/02/950730902.db2.gz LKQGSMXJFYZTNC-UHFFFAOYSA-N -1 1 386.460 1.170 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1 ZINC001573879893 950733333 /nfs/dbraw/zinc/73/33/33/950733333.db2.gz NTZDLLQUJDUTNC-NTASLKFISA-N -1 1 382.472 1.565 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1 ZINC001573879893 950733347 /nfs/dbraw/zinc/73/33/47/950733347.db2.gz NTZDLLQUJDUTNC-NTASLKFISA-N -1 1 382.472 1.565 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)C(C)(C)C2(C)C)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576216610 950742497 /nfs/dbraw/zinc/74/24/97/950742497.db2.gz DYYWDKDKQVQRCJ-DGCLKSJQSA-N -1 1 384.488 1.988 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)C(C)(C)C2(C)C)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576216610 950742507 /nfs/dbraw/zinc/74/25/07/950742507.db2.gz DYYWDKDKQVQRCJ-DGCLKSJQSA-N -1 1 384.488 1.988 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cc(C2CC2)on1 ZINC001575927794 950755325 /nfs/dbraw/zinc/75/53/25/950755325.db2.gz UNZWMSGHNWGNFT-KOLCDFICSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cc(C2CC2)on1 ZINC001575927794 950755340 /nfs/dbraw/zinc/75/53/40/950755340.db2.gz UNZWMSGHNWGNFT-KOLCDFICSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576217500 950762989 /nfs/dbraw/zinc/76/29/89/950762989.db2.gz IFZYPXIVABIVKM-WDEREUQCSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576217500 950763010 /nfs/dbraw/zinc/76/30/10/950763010.db2.gz IFZYPXIVABIVKM-WDEREUQCSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576217767 950767804 /nfs/dbraw/zinc/76/78/04/950767804.db2.gz JESCVDZVNKEPLO-NXEZZACHSA-N -1 1 378.387 1.208 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576217767 950767818 /nfs/dbraw/zinc/76/78/18/950767818.db2.gz JESCVDZVNKEPLO-NXEZZACHSA-N -1 1 378.387 1.208 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C(F)F)CC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576217694 950768384 /nfs/dbraw/zinc/76/83/84/950768384.db2.gz IRXSAOOYQICBGX-VHSXEESVSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C(F)F)CC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576217694 950768391 /nfs/dbraw/zinc/76/83/91/950768391.db2.gz IRXSAOOYQICBGX-VHSXEESVSA-N -1 1 380.403 1.597 20 0 GDADMM CC(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001574184094 950769301 /nfs/dbraw/zinc/76/93/01/950769301.db2.gz DGKJXYJRFOYKCJ-LLVKDONJSA-N -1 1 378.437 1.858 20 0 GDADMM CC(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001574184094 950769325 /nfs/dbraw/zinc/76/93/25/950769325.db2.gz DGKJXYJRFOYKCJ-LLVKDONJSA-N -1 1 378.437 1.858 20 0 GDADMM CC1(C)CC(CC(=O)N2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C(C)(C)C2)C1 ZINC001575631523 950773506 /nfs/dbraw/zinc/77/35/06/950773506.db2.gz NZXKGUFKOQNJGV-CYBMUJFWSA-N -1 1 384.488 1.554 20 0 GDADMM CC1(C)CC(CC(=O)N2CCC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001575631501 950775230 /nfs/dbraw/zinc/77/52/30/950775230.db2.gz MSLYIFBHHMKCCT-CYBMUJFWSA-N -1 1 384.488 1.555 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCC1CCOCC1 ZINC001575928207 950776694 /nfs/dbraw/zinc/77/66/94/950776694.db2.gz ZWRWAMKKIJLACI-OCCSQVGLSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCC1CCOCC1 ZINC001575928207 950776706 /nfs/dbraw/zinc/77/67/06/950776706.db2.gz ZWRWAMKKIJLACI-OCCSQVGLSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576218162 950781332 /nfs/dbraw/zinc/78/13/32/950781332.db2.gz LGGYNNNPEXZPCK-UWVGGRQHSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576218162 950781346 /nfs/dbraw/zinc/78/13/46/950781346.db2.gz LGGYNNNPEXZPCK-UWVGGRQHSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cscc1Cl)Nc1nccnc1-c1nnn[n-]1 ZINC001574765268 950781416 /nfs/dbraw/zinc/78/14/16/950781416.db2.gz HAFOECIIESJPRQ-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cscc1Cl)Nc1nccnc1-c1nn[n-]n1 ZINC001574765268 950781430 /nfs/dbraw/zinc/78/14/30/950781430.db2.gz HAFOECIIESJPRQ-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576218160 950783581 /nfs/dbraw/zinc/78/35/81/950783581.db2.gz LGGYNNNPEXZPCK-NXEZZACHSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576218160 950783601 /nfs/dbraw/zinc/78/36/01/950783601.db2.gz LGGYNNNPEXZPCK-NXEZZACHSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576218169 950783946 /nfs/dbraw/zinc/78/39/46/950783946.db2.gz LGGYNNNPEXZPCK-ZJUUUORDSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576218169 950783957 /nfs/dbraw/zinc/78/39/57/950783957.db2.gz LGGYNNNPEXZPCK-ZJUUUORDSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccc(Cl)cn1 ZINC001575930051 950793303 /nfs/dbraw/zinc/79/33/03/950793303.db2.gz DHAPJUPMGFTVPN-ONGXEEELSA-N -1 1 385.819 1.420 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(Cl)cn1 ZINC001575930051 950793317 /nfs/dbraw/zinc/79/33/17/950793317.db2.gz DHAPJUPMGFTVPN-ONGXEEELSA-N -1 1 385.819 1.420 20 0 GDADMM CC1(C)CC(CC(=O)NC[C@H]2CCCCN2c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575632261 950793417 /nfs/dbraw/zinc/79/34/17/950793417.db2.gz FFTCEEFKJABJBB-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CC(CC(=O)NC[C@H]2CCCCN2c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575632261 950793431 /nfs/dbraw/zinc/79/34/31/950793431.db2.gz FFTCEEFKJABJBB-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCc1ccccc1 ZINC001575931623 950810143 /nfs/dbraw/zinc/81/01/43/950810143.db2.gz JBGZUYSCRKGBAE-UKRRQHHQSA-N -1 1 378.440 1.691 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1ccccc1 ZINC001575931623 950810157 /nfs/dbraw/zinc/81/01/57/950810157.db2.gz JBGZUYSCRKGBAE-UKRRQHHQSA-N -1 1 378.440 1.691 20 0 GDADMM CC(C)(C)c1nc(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)co1 ZINC001573885079 950810375 /nfs/dbraw/zinc/81/03/75/950810375.db2.gz NYKWHOVYLFOBJR-AOOOYVTPSA-N -1 1 383.416 1.315 20 0 GDADMM CC(C)(C)c1nc(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)co1 ZINC001573885079 950810391 /nfs/dbraw/zinc/81/03/91/950810391.db2.gz NYKWHOVYLFOBJR-AOOOYVTPSA-N -1 1 383.416 1.315 20 0 GDADMM C[C@H](CN(C)C(=O)c1coc(C2CCC2)n1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574766197 950811580 /nfs/dbraw/zinc/81/15/80/950811580.db2.gz LUAYAZOPWGWYRD-SNVBAGLBSA-N -1 1 383.416 1.485 20 0 GDADMM C[C@H](CN(C)C(=O)c1coc(C2CCC2)n1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574766197 950811603 /nfs/dbraw/zinc/81/16/03/950811603.db2.gz LUAYAZOPWGWYRD-SNVBAGLBSA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)C(C)(C)C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001576220181 950823701 /nfs/dbraw/zinc/82/37/01/950823701.db2.gz VYQSTHFZAFYTOU-KGLIPLIRSA-N -1 1 386.504 1.657 20 0 GDADMM CC(C)CCCC(=O)N1CC[C@@H](C)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574186961 950826031 /nfs/dbraw/zinc/82/60/31/950826031.db2.gz KVHWYNGXMOPAEH-CABCVRRESA-N -1 1 386.504 1.944 20 0 GDADMM C[C@H]1CN(C(=O)C(=O)C(C)(C)C)CC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576221027 950839352 /nfs/dbraw/zinc/83/93/52/950839352.db2.gz YUXMRHBRFQKMSS-RYUDHWBXSA-N -1 1 386.460 1.168 20 0 GDADMM C[C@H]1CN(C(=O)C(=O)C(C)(C)C)CC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576221027 950839378 /nfs/dbraw/zinc/83/93/78/950839378.db2.gz YUXMRHBRFQKMSS-RYUDHWBXSA-N -1 1 386.460 1.168 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cc(F)cc(F)c1 ZINC001575933399 950841536 /nfs/dbraw/zinc/84/15/36/950841536.db2.gz ONRBCBLRVHIVNU-RNCFNFMXSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(F)cc(F)c1 ZINC001575933399 950841547 /nfs/dbraw/zinc/84/15/47/950841547.db2.gz ONRBCBLRVHIVNU-RNCFNFMXSA-N -1 1 386.366 1.650 20 0 GDADMM CC(C)(C)c1ocnc1C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573887469 950846157 /nfs/dbraw/zinc/84/61/57/950846157.db2.gz CJSNXBNDTVNRCZ-UHFFFAOYSA-N -1 1 383.416 1.317 20 0 GDADMM CC(C)(C)c1ocnc1C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573887469 950846183 /nfs/dbraw/zinc/84/61/83/950846183.db2.gz CJSNXBNDTVNRCZ-UHFFFAOYSA-N -1 1 383.416 1.317 20 0 GDADMM CC(C)(C)c1ocnc1C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573887960 950856123 /nfs/dbraw/zinc/85/61/23/950856123.db2.gz LUDXNSBZPTZQON-UHFFFAOYSA-N -1 1 383.416 1.317 20 0 GDADMM CC(C)(C)c1ocnc1C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573887960 950856141 /nfs/dbraw/zinc/85/61/41/950856141.db2.gz LUDXNSBZPTZQON-UHFFFAOYSA-N -1 1 383.416 1.317 20 0 GDADMM C[C@H](CN(C)C(=O)c1coc(CC2CC2)n1)Nc1nccnc1-c1nnn[n-]1 ZINC001574767631 950860853 /nfs/dbraw/zinc/86/08/53/950860853.db2.gz UEQGTNPJVZRRLJ-SNVBAGLBSA-N -1 1 383.416 1.170 20 0 GDADMM C[C@H](CN(C)C(=O)c1coc(CC2CC2)n1)Nc1nccnc1-c1nn[n-]n1 ZINC001574767631 950860866 /nfs/dbraw/zinc/86/08/66/950860866.db2.gz UEQGTNPJVZRRLJ-SNVBAGLBSA-N -1 1 383.416 1.170 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)c2ccccc2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576221959 950865557 /nfs/dbraw/zinc/86/55/57/950865557.db2.gz WTMPTCXHBCVOPO-CZUORRHYSA-N -1 1 392.467 1.893 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)c2ccccc2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576221959 950865573 /nfs/dbraw/zinc/86/55/73/950865573.db2.gz WTMPTCXHBCVOPO-CZUORRHYSA-N -1 1 392.467 1.893 20 0 GDADMM C[C@@H](CN(C)C(=O)c1coc(C(F)F)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574767952 950873885 /nfs/dbraw/zinc/87/38/85/950873885.db2.gz VMVMZJVRNQGHGF-QMMMGPOBSA-N -1 1 378.343 1.760 20 0 GDADMM C[C@@H](CN(C)C(=O)c1coc(C(F)F)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574767952 950873898 /nfs/dbraw/zinc/87/38/98/950873898.db2.gz VMVMZJVRNQGHGF-QMMMGPOBSA-N -1 1 378.343 1.760 20 0 GDADMM CC(C)(CC(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)CC(F)F ZINC001573893392 950881418 /nfs/dbraw/zinc/88/14/18/950881418.db2.gz DATIJKFNXYIHAX-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)(CC(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)CC(F)F ZINC001573893392 950881436 /nfs/dbraw/zinc/88/14/36/950881436.db2.gz DATIJKFNXYIHAX-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM CC1(C)C[C@@H](NC(=O)[C@@H]2CC2(F)F)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575640094 950884058 /nfs/dbraw/zinc/88/40/58/950884058.db2.gz XASAGXXZJXZFBB-QWRGUYRKSA-N -1 1 392.414 1.423 20 0 GDADMM CC1(C)C[C@@H](NC(=O)[C@@H]2CC2(F)F)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575640094 950884071 /nfs/dbraw/zinc/88/40/71/950884071.db2.gz XASAGXXZJXZFBB-QWRGUYRKSA-N -1 1 392.414 1.423 20 0 GDADMM CC(C)(CC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573893578 950891508 /nfs/dbraw/zinc/89/15/08/950891508.db2.gz LVFVBKMENIDFFJ-SECBINFHSA-N -1 1 384.366 1.070 20 0 GDADMM C[C@H]1CN(C(=O)C2(CF)CCC2)CC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576226838 950892973 /nfs/dbraw/zinc/89/29/73/950892973.db2.gz AZZAJMUWEDDDFF-STQMWFEESA-N -1 1 388.451 1.693 20 0 GDADMM C[C@H]1CN(C(=O)C2(CF)CCC2)CC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576226838 950892993 /nfs/dbraw/zinc/89/29/93/950892993.db2.gz AZZAJMUWEDDDFF-STQMWFEESA-N -1 1 388.451 1.693 20 0 GDADMM CC1(C)C[C@H](NC(=O)C2CCCC2)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575640548 950896454 /nfs/dbraw/zinc/89/64/54/950896454.db2.gz IKTNPHCUJCNTFO-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)C[C@H](NC(=O)C2CCCC2)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575640548 950896469 /nfs/dbraw/zinc/89/64/69/950896469.db2.gz IKTNPHCUJCNTFO-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)C[C@H](NC(=O)c2cnco2)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575640726 950901127 /nfs/dbraw/zinc/90/11/27/950901127.db2.gz KDFBRMFIEIDKJQ-LLVKDONJSA-N -1 1 383.416 1.070 20 0 GDADMM CC1(C)C[C@H](NC(=O)c2cnco2)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575640726 950901144 /nfs/dbraw/zinc/90/11/44/950901144.db2.gz KDFBRMFIEIDKJQ-LLVKDONJSA-N -1 1 383.416 1.070 20 0 GDADMM C[C@H](CN(C)C(=O)c1ncoc1C(C)(C)C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574768897 950905154 /nfs/dbraw/zinc/90/51/54/950905154.db2.gz XDURRBCPAQUTIN-SNVBAGLBSA-N -1 1 385.432 1.515 20 0 GDADMM C[C@H](CN(C)C(=O)c1ncoc1C(C)(C)C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574768897 950905172 /nfs/dbraw/zinc/90/51/72/950905172.db2.gz XDURRBCPAQUTIN-SNVBAGLBSA-N -1 1 385.432 1.515 20 0 GDADMM CC1(C)C[C@H](NC(=O)CCCF)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575641378 950919103 /nfs/dbraw/zinc/91/91/03/950919103.db2.gz ORDDUNBFDVGDKX-GFCCVEGCSA-N -1 1 376.440 1.518 20 0 GDADMM CC1(C)C[C@H](NC(=O)CCCF)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575641378 950919126 /nfs/dbraw/zinc/91/91/26/950919126.db2.gz ORDDUNBFDVGDKX-GFCCVEGCSA-N -1 1 376.440 1.518 20 0 GDADMM CC1(C)C[C@H]1C(=O)N1CCC[C@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001575641612 950924729 /nfs/dbraw/zinc/92/47/29/950924729.db2.gz CKLIQTPQFCVWBF-ORAYPTAESA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)C[C@H]1C(=O)N1CCC[C@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001575641612 950924742 /nfs/dbraw/zinc/92/47/42/950924742.db2.gz CKLIQTPQFCVWBF-ORAYPTAESA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc2c(c1)CCO2 ZINC001575936784 950926593 /nfs/dbraw/zinc/92/65/93/950926593.db2.gz IGBVCCJLBLBJFD-RISCZKNCSA-N -1 1 392.423 1.307 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc2c(c1)CCO2 ZINC001575936784 950926603 /nfs/dbraw/zinc/92/66/03/950926603.db2.gz IGBVCCJLBLBJFD-RISCZKNCSA-N -1 1 392.423 1.307 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573896127 950948302 /nfs/dbraw/zinc/94/83/02/950948302.db2.gz GDXJUWJDNUOIOF-TZMCWYRMSA-N -1 1 384.488 1.602 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001573897323 950959909 /nfs/dbraw/zinc/95/99/09/950959909.db2.gz OJIYVJKUXZSWKK-OAHLLOKOSA-N -1 1 392.467 1.720 20 0 GDADMM CC(C)(CC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001573898114 950973134 /nfs/dbraw/zinc/97/31/34/950973134.db2.gz WZNXDLLOPMJFDY-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(CC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001573898114 950973146 /nfs/dbraw/zinc/97/31/46/950973146.db2.gz WZNXDLLOPMJFDY-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H]1CN(C(=O)C2(c3ccccn3)CC2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576230326 950997560 /nfs/dbraw/zinc/99/75/60/950997560.db2.gz BIHFYFCBWGDZOM-GXTWGEPZSA-N -1 1 391.439 1.042 20 0 GDADMM C[C@H]1CN(C(=O)C2(c3ccccn3)CC2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576230326 950997578 /nfs/dbraw/zinc/99/75/78/950997578.db2.gz BIHFYFCBWGDZOM-GXTWGEPZSA-N -1 1 391.439 1.042 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)F)nc1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575018192 951019834 /nfs/dbraw/zinc/01/98/34/951019834.db2.gz MIDXHYGJPKNNIN-SECBINFHSA-N -1 1 389.370 1.467 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)F)nc1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575018192 951019838 /nfs/dbraw/zinc/01/98/38/951019838.db2.gz MIDXHYGJPKNNIN-SECBINFHSA-N -1 1 389.370 1.467 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C2CC2)cn1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575021274 951062440 /nfs/dbraw/zinc/06/24/40/951062440.db2.gz CRBZJJPQEVSVTQ-NSHDSACASA-N -1 1 379.428 1.184 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C2CC2)cn1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575021274 951062454 /nfs/dbraw/zinc/06/24/54/951062454.db2.gz CRBZJJPQEVSVTQ-NSHDSACASA-N -1 1 379.428 1.184 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C2CCC2)cc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575021675 951068187 /nfs/dbraw/zinc/06/81/87/951068187.db2.gz FXRUUPHPBQZNBZ-GFCCVEGCSA-N -1 1 378.440 1.577 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)c(Cl)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575023288 951076140 /nfs/dbraw/zinc/07/61/40/951076140.db2.gz MDZZGPSZROIDKF-MRVPVSSYSA-N -1 1 376.783 1.102 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575024338 951097654 /nfs/dbraw/zinc/09/76/54/951097654.db2.gz BEIOAEHSEGTXIW-LBPRGKRZSA-N -1 1 378.440 1.188 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCO2)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575025047 951122821 /nfs/dbraw/zinc/12/28/21/951122821.db2.gz SWEMQPFJPGKGDS-LLVKDONJSA-N -1 1 380.412 1.070 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCO2)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575025047 951122831 /nfs/dbraw/zinc/12/28/31/951122831.db2.gz SWEMQPFJPGKGDS-LLVKDONJSA-N -1 1 380.412 1.070 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)cc1Cl)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575025026 951123118 /nfs/dbraw/zinc/12/31/18/951123118.db2.gz RYBGIMLCMISRAF-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)cc1Cl)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575025026 951123129 /nfs/dbraw/zinc/12/31/29/951123129.db2.gz RYBGIMLCMISRAF-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM CC(C)c1cccc(C(=O)NC[C@H](C)CNc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001575029059 951181895 /nfs/dbraw/zinc/18/18/95/951181895.db2.gz YVCYHILPNODTAR-GFCCVEGCSA-N -1 1 381.444 1.653 20 0 GDADMM CC(C)c1cccc(C(=O)NC[C@H](C)CNc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001575029059 951181903 /nfs/dbraw/zinc/18/19/03/951181903.db2.gz YVCYHILPNODTAR-GFCCVEGCSA-N -1 1 381.444 1.653 20 0 GDADMM C[C@@H](CNC(=O)c1ccccc1C1(C)CC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575029854 951189060 /nfs/dbraw/zinc/18/90/60/951189060.db2.gz YCPLSOHHRJPLOS-LBPRGKRZSA-N -1 1 378.440 1.939 20 0 GDADMM C[C@@H](CNC(=O)c1ccccc1C1(C)CC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575029854 951189069 /nfs/dbraw/zinc/18/90/69/951189069.db2.gz YCPLSOHHRJPLOS-LBPRGKRZSA-N -1 1 378.440 1.939 20 0 GDADMM C[C@H](CNC(=O)c1cccc2c1OCC2)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575029981 951191814 /nfs/dbraw/zinc/19/18/14/951191814.db2.gz YXRMCGBLJFSBDR-NSHDSACASA-N -1 1 380.412 1.070 20 0 GDADMM C[C@H](CNC(=O)c1cccc2c1OCC2)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575029981 951191822 /nfs/dbraw/zinc/19/18/22/951191822.db2.gz YXRMCGBLJFSBDR-NSHDSACASA-N -1 1 380.412 1.070 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2c1CCC2)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575030091 951191872 /nfs/dbraw/zinc/19/18/72/951191872.db2.gz ZRMXPTQGIWVXDK-LBPRGKRZSA-N -1 1 378.440 1.400 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2c1CCC2)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575030091 951191886 /nfs/dbraw/zinc/19/18/86/951191886.db2.gz ZRMXPTQGIWVXDK-LBPRGKRZSA-N -1 1 378.440 1.400 20 0 GDADMM C[C@H](CNC(=O)c1cccnc1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575031518 951197169 /nfs/dbraw/zinc/19/71/69/951197169.db2.gz CAOUFWXBJMFUFT-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@H](CNC(=O)c1cccnc1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575031518 951197174 /nfs/dbraw/zinc/19/71/74/951197174.db2.gz CAOUFWXBJMFUFT-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@@H](CNC(=O)c1cccnc1C(F)F)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575031787 951204907 /nfs/dbraw/zinc/20/49/07/951204907.db2.gz IUMWUAGBLJZEFL-VIFPVBQESA-N -1 1 389.370 1.244 20 0 GDADMM CC(C)Oc1ccccc1C(=O)NC[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575032069 951214945 /nfs/dbraw/zinc/21/49/45/951214945.db2.gz PPIWMFFTBRGRIF-GFCCVEGCSA-N -1 1 382.428 1.674 20 0 GDADMM CC(C)Oc1ccccc1C(=O)NC[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575032069 951214952 /nfs/dbraw/zinc/21/49/52/951214952.db2.gz PPIWMFFTBRGRIF-GFCCVEGCSA-N -1 1 382.428 1.674 20 0 GDADMM C[C@H](CNC(=O)c1ccn(C(C)(C)C)n1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575034822 951258760 /nfs/dbraw/zinc/25/87/60/951258760.db2.gz FCHBQPLMDGSVOA-NSHDSACASA-N -1 1 384.448 1.086 20 0 GDADMM C[C@H](CNC(=O)c1ccn(C(C)(C)C)n1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575034822 951258773 /nfs/dbraw/zinc/25/87/73/951258773.db2.gz FCHBQPLMDGSVOA-NSHDSACASA-N -1 1 384.448 1.086 20 0 GDADMM C[C@H](CNC(=O)c1ccsc1C(F)F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575037654 951308623 /nfs/dbraw/zinc/30/86/23/951308623.db2.gz CJBADSJVVBTIAG-SSDOTTSWSA-N -1 1 380.384 1.886 20 0 GDADMM C[C@H](CNC(=O)c1ccsc1C(F)F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575037654 951308636 /nfs/dbraw/zinc/30/86/36/951308636.db2.gz CJBADSJVVBTIAG-SSDOTTSWSA-N -1 1 380.384 1.886 20 0 GDADMM CC(C)c1ncc(C(=O)NC[C@@H](C)CNc2cncc(-c3nnn[n-]3)n2)s1 ZINC001575042707 951370105 /nfs/dbraw/zinc/37/01/05/951370105.db2.gz BCQWSBLVIPTIMB-JTQLQIEISA-N -1 1 387.473 1.715 20 0 GDADMM CC(C)c1ncc(C(=O)NC[C@@H](C)CNc2cncc(-c3nn[n-]n3)n2)s1 ZINC001575042707 951370119 /nfs/dbraw/zinc/37/01/19/951370119.db2.gz BCQWSBLVIPTIMB-JTQLQIEISA-N -1 1 387.473 1.715 20 0 GDADMM CC(C)c1ncncc1C(=O)NC[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575045969 951435575 /nfs/dbraw/zinc/43/55/75/951435575.db2.gz JYOMKOAWJZCKRT-NSHDSACASA-N -1 1 382.432 1.048 20 0 GDADMM CC(C)c1ncncc1C(=O)NC[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575045969 951435583 /nfs/dbraw/zinc/43/55/83/951435583.db2.gz JYOMKOAWJZCKRT-NSHDSACASA-N -1 1 382.432 1.048 20 0 GDADMM C[C@H](CNC(=O)c1cncnc1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575046643 951443992 /nfs/dbraw/zinc/44/39/92/951443992.db2.gz QFBHVIDGBBRXEY-SSDOTTSWSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@H](CNC(=O)c1cncnc1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575046643 951443999 /nfs/dbraw/zinc/44/39/99/951443999.db2.gz QFBHVIDGBBRXEY-SSDOTTSWSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1cnns1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575053851 951486167 /nfs/dbraw/zinc/48/61/67/951486167.db2.gz FYQTUFBSIPOVEQ-YFKPBYRVSA-N -1 1 385.866 1.306 20 0 GDADMM C[C@H](CNC(=O)c1csc(Cl)c1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575058331 951534398 /nfs/dbraw/zinc/53/43/98/951534398.db2.gz VIDHONZVXQEDIM-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@H](CNC(=O)c1csc(Cl)c1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575058331 951534404 /nfs/dbraw/zinc/53/44/04/951534404.db2.gz VIDHONZVXQEDIM-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@@H](CNC(=O)c1ncoc1C(C)(C)C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575067963 951628191 /nfs/dbraw/zinc/62/81/91/951628191.db2.gz TVIUSLLVMZKFNC-SNVBAGLBSA-N -1 1 385.432 1.420 20 0 GDADMM C[C@@H](CNC(=O)c1ncoc1C(C)(C)C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575067963 951628200 /nfs/dbraw/zinc/62/82/00/951628200.db2.gz TVIUSLLVMZKFNC-SNVBAGLBSA-N -1 1 385.432 1.420 20 0 GDADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)Cc1ccsc1)C1CC1 ZINC001575129578 952081734 /nfs/dbraw/zinc/08/17/34/952081734.db2.gz WCOKWQIJHVASTD-KRWDZBQOSA-N -1 1 384.469 1.658 20 0 GDADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)Cc1ccsc1)C1CC1 ZINC001575129578 952081745 /nfs/dbraw/zinc/08/17/45/952081745.db2.gz WCOKWQIJHVASTD-KRWDZBQOSA-N -1 1 384.469 1.658 20 0 GDADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)c1ncccc1F)C1CC1 ZINC001575134187 952108781 /nfs/dbraw/zinc/10/87/81/952108781.db2.gz MUHNGHNMYDDHMH-KRWDZBQOSA-N -1 1 383.391 1.201 20 0 GDADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)c1ncccc1F)C1CC1 ZINC001575134187 952108784 /nfs/dbraw/zinc/10/87/84/952108784.db2.gz MUHNGHNMYDDHMH-KRWDZBQOSA-N -1 1 383.391 1.201 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)C[C@@H]1CCCC1(F)F ZINC001575136952 952131762 /nfs/dbraw/zinc/13/17/62/952131762.db2.gz YGKGCCIMOGEBOD-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)C[C@@H]1CCCC1(F)F ZINC001575136952 952131766 /nfs/dbraw/zinc/13/17/66/952131766.db2.gz YGKGCCIMOGEBOD-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1csc(Cl)c1 ZINC001575137063 952134353 /nfs/dbraw/zinc/13/43/53/952134353.db2.gz SQXFQMKINAQRSK-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1csc(Cl)c1 ZINC001575137063 952134359 /nfs/dbraw/zinc/13/43/59/952134359.db2.gz SQXFQMKINAQRSK-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1coc(C2CCC2)n1 ZINC001575137468 952139297 /nfs/dbraw/zinc/13/92/97/952139297.db2.gz ZVXJTZYVVDIEMP-SNVBAGLBSA-N -1 1 383.416 1.485 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1coc(C2CCC2)n1 ZINC001575137468 952139304 /nfs/dbraw/zinc/13/93/04/952139304.db2.gz ZVXJTZYVVDIEMP-SNVBAGLBSA-N -1 1 383.416 1.485 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cccc2cc[nH]c21 ZINC001575144074 952160795 /nfs/dbraw/zinc/16/07/95/952160795.db2.gz FYPDDTPWJALGFP-NSHDSACASA-N -1 1 377.412 1.133 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCCCC1(F)F ZINC001575144900 952174380 /nfs/dbraw/zinc/17/43/80/952174380.db2.gz ZCVMMVFSWSNRJL-GHMZBOCLSA-N -1 1 380.403 1.163 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)C1(c2cccnc2)CC1 ZINC001575152964 952205530 /nfs/dbraw/zinc/20/55/30/952205530.db2.gz BLSQFEWZXKNSTL-LBPRGKRZSA-N -1 1 379.428 1.042 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)C1(c2cccnc2)CC1 ZINC001575152964 952205535 /nfs/dbraw/zinc/20/55/35/952205535.db2.gz BLSQFEWZXKNSTL-LBPRGKRZSA-N -1 1 379.428 1.042 20 0 GDADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)CCc1ccoc1)C1CC1 ZINC001575153733 952212156 /nfs/dbraw/zinc/21/21/56/952212156.db2.gz KHDNOUFTYPRJKN-GOSISDBHSA-N -1 1 382.428 1.579 20 0 GDADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)CCc1ccoc1)C1CC1 ZINC001575153733 952212163 /nfs/dbraw/zinc/21/21/63/952212163.db2.gz KHDNOUFTYPRJKN-GOSISDBHSA-N -1 1 382.428 1.579 20 0 GDADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)c1ccc(Cl)[nH]1)C1CC1 ZINC001575153747 952213024 /nfs/dbraw/zinc/21/30/24/952213024.db2.gz KMIDGKUOYZCLNP-INIZCTEOSA-N -1 1 387.835 1.649 20 0 GDADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)c1ccc(Cl)[nH]1)C1CC1 ZINC001575153747 952213031 /nfs/dbraw/zinc/21/30/31/952213031.db2.gz KMIDGKUOYZCLNP-INIZCTEOSA-N -1 1 387.835 1.649 20 0 GDADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)c1ccc(F)nc1)C1CC1 ZINC001575154004 952214859 /nfs/dbraw/zinc/21/48/59/952214859.db2.gz NJBOCCHSIOYNRJ-KRWDZBQOSA-N -1 1 383.391 1.201 20 0 GDADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)c1ccc(F)nc1)C1CC1 ZINC001575154004 952214866 /nfs/dbraw/zinc/21/48/66/952214866.db2.gz NJBOCCHSIOYNRJ-KRWDZBQOSA-N -1 1 383.391 1.201 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)CCCc1ccccc1 ZINC001575154185 952218076 /nfs/dbraw/zinc/21/80/76/952218076.db2.gz PVIBVJFVFPACCN-AWEZNQCLSA-N -1 1 380.456 1.938 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)CCCc1ccccc1 ZINC001575154185 952218086 /nfs/dbraw/zinc/21/80/86/952218086.db2.gz PVIBVJFVFPACCN-AWEZNQCLSA-N -1 1 380.456 1.938 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)COc1ccccc1F ZINC001575154599 952227314 /nfs/dbraw/zinc/22/73/14/952227314.db2.gz UAYGNFFSXHXCJQ-LLVKDONJSA-N -1 1 386.391 1.134 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)COc1ccccc1F ZINC001575154599 952227320 /nfs/dbraw/zinc/22/73/20/952227320.db2.gz UAYGNFFSXHXCJQ-LLVKDONJSA-N -1 1 386.391 1.134 20 0 GDADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)[C@@H]1CCC1(F)F)C1CC1 ZINC001575155560 952242026 /nfs/dbraw/zinc/24/20/26/952242026.db2.gz NGORSZVRNCSFPD-ZUZCIYMTSA-N -1 1 378.387 1.399 20 0 GDADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)[C@@H]1CCC1(F)F)C1CC1 ZINC001575155560 952242030 /nfs/dbraw/zinc/24/20/30/952242030.db2.gz NGORSZVRNCSFPD-ZUZCIYMTSA-N -1 1 378.387 1.399 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)C1Cc2ccccc2C1 ZINC001575155806 952243562 /nfs/dbraw/zinc/24/35/62/952243562.db2.gz AIQVAJPVUIFVCB-LBPRGKRZSA-N -1 1 378.440 1.331 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)C1Cc2ccccc2C1 ZINC001575155806 952243568 /nfs/dbraw/zinc/24/35/68/952243568.db2.gz AIQVAJPVUIFVCB-LBPRGKRZSA-N -1 1 378.440 1.331 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ccn(C(C)(C)C)n1 ZINC001575156292 952249849 /nfs/dbraw/zinc/24/98/49/952249849.db2.gz SHQHNKNKOOKNFS-NSHDSACASA-N -1 1 384.448 1.181 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ccn(C(C)(C)C)n1 ZINC001575156292 952249856 /nfs/dbraw/zinc/24/98/56/952249856.db2.gz SHQHNKNKOOKNFS-NSHDSACASA-N -1 1 384.448 1.181 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ncsc1C1CC1 ZINC001575156592 952255523 /nfs/dbraw/zinc/25/55/23/952255523.db2.gz VGPBRUDGSVBESA-VIFPVBQESA-N -1 1 385.457 1.563 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ncsc1C1CC1 ZINC001575156592 952255531 /nfs/dbraw/zinc/25/55/31/952255531.db2.gz VGPBRUDGSVBESA-VIFPVBQESA-N -1 1 385.457 1.563 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)c1ccn(C)c1 ZINC001575163980 952286346 /nfs/dbraw/zinc/28/63/46/952286346.db2.gz ANYXVAYARPKVSK-QMMMGPOBSA-N -1 1 380.865 1.888 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)c1ccn(C)c1 ZINC001575163980 952286349 /nfs/dbraw/zinc/28/63/49/952286349.db2.gz ANYXVAYARPKVSK-QMMMGPOBSA-N -1 1 380.865 1.888 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)C[C@@H]1CCCC1(F)F ZINC001575175175 952383110 /nfs/dbraw/zinc/38/31/10/952383110.db2.gz VNDRAXOBUNIVKO-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)C[C@@H]1CCCC1(F)F ZINC001575175175 952383116 /nfs/dbraw/zinc/38/31/16/952383116.db2.gz VNDRAXOBUNIVKO-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ccc2c(c1)CCO2 ZINC001575176960 952398105 /nfs/dbraw/zinc/39/81/05/952398105.db2.gz FTUWOSAQUVFKCO-NSHDSACASA-N -1 1 380.412 1.164 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ccc2c(c1)CCO2 ZINC001575176960 952398111 /nfs/dbraw/zinc/39/81/11/952398111.db2.gz FTUWOSAQUVFKCO-NSHDSACASA-N -1 1 380.412 1.164 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)C1=COCCC1 ZINC001575177760 952402751 /nfs/dbraw/zinc/40/27/51/952402751.db2.gz JMRKPBBCGMUVNW-MRVPVSSYSA-N -1 1 383.865 1.930 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)C1=COCCC1 ZINC001575177760 952402753 /nfs/dbraw/zinc/40/27/53/952402753.db2.gz JMRKPBBCGMUVNW-MRVPVSSYSA-N -1 1 383.865 1.930 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575187524 952441783 /nfs/dbraw/zinc/44/17/83/952441783.db2.gz CQRWCEPFJNGQLC-OLZOCXBDSA-N -1 1 382.428 1.166 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575187524 952441785 /nfs/dbraw/zinc/44/17/85/952441785.db2.gz CQRWCEPFJNGQLC-OLZOCXBDSA-N -1 1 382.428 1.166 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001575189780 952458419 /nfs/dbraw/zinc/45/84/19/952458419.db2.gz QHKDQRUADFEJIR-GFCCVEGCSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001575189780 952458420 /nfs/dbraw/zinc/45/84/20/952458420.db2.gz QHKDQRUADFEJIR-GFCCVEGCSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC001575189836 952458436 /nfs/dbraw/zinc/45/84/36/952458436.db2.gz QZIUMYUWTDNJOK-NWDGAFQWSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC001575189836 952458437 /nfs/dbraw/zinc/45/84/37/952458437.db2.gz QZIUMYUWTDNJOK-NWDGAFQWSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@H](Nc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001575195380 952472187 /nfs/dbraw/zinc/47/21/87/952472187.db2.gz AOUITRLONNXECR-RISCZKNCSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@H](Nc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001575195380 952472189 /nfs/dbraw/zinc/47/21/89/952472189.db2.gz AOUITRLONNXECR-RISCZKNCSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575197449 952484249 /nfs/dbraw/zinc/48/42/49/952484249.db2.gz WGSCKMMLDOSXME-CHWSQXEVSA-N -1 1 382.428 1.071 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575197449 952484253 /nfs/dbraw/zinc/48/42/53/952484253.db2.gz WGSCKMMLDOSXME-CHWSQXEVSA-N -1 1 382.428 1.071 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575197728 952487020 /nfs/dbraw/zinc/48/70/20/952487020.db2.gz YWUGDRPMWJQHMJ-LBPRGKRZSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)s1)[C@H](O)c1cccc(F)c1 ZINC001571119589 952493419 /nfs/dbraw/zinc/49/34/19/952493419.db2.gz DDFGBOMDSJNRFP-OTYXRUKQSA-N -1 1 376.417 1.989 20 0 GDADMM Cc1cccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cncc(-c3nnn[n-]3)n2)c1 ZINC001571120451 952503175 /nfs/dbraw/zinc/50/31/75/952503175.db2.gz NBQXDBAGGBFNJH-GASCZTMLSA-N -1 1 376.424 1.459 20 0 GDADMM Cc1cccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cncc(-c3nn[n-]n3)n2)c1 ZINC001571120451 952503178 /nfs/dbraw/zinc/50/31/78/952503178.db2.gz NBQXDBAGGBFNJH-GASCZTMLSA-N -1 1 376.424 1.459 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCC2(C(=O)OC(C)(C)C)CCC2)n1 ZINC001571120941 952511339 /nfs/dbraw/zinc/51/13/39/952511339.db2.gz UVCAZPFDZQUUAJ-UHFFFAOYSA-N -1 1 376.421 1.234 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCC2(C(=O)OC(C)(C)C)CCC2)n1 ZINC001571120941 952511345 /nfs/dbraw/zinc/51/13/45/952511345.db2.gz UVCAZPFDZQUUAJ-UHFFFAOYSA-N -1 1 376.421 1.234 20 0 GDADMM CS[C@H](C)C(=O)N1CCC([C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571123373 952529251 /nfs/dbraw/zinc/52/92/51/952529251.db2.gz QTXFYTHDAFIFOK-WDEREUQCSA-N -1 1 376.490 1.447 20 0 GDADMM CS[C@H](C)C(=O)N1CCC([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571123373 952529257 /nfs/dbraw/zinc/52/92/57/952529257.db2.gz QTXFYTHDAFIFOK-WDEREUQCSA-N -1 1 376.490 1.447 20 0 GDADMM Cc1nsc(N2CC[C@@](C)(NC(=O)c3cncs3)C2)c1-c1nn[n-]n1 ZINC001571124169 952535394 /nfs/dbraw/zinc/53/53/94/952535394.db2.gz ZYEYDNICEJMIEC-CQSZACIVSA-N -1 1 376.471 1.487 20 0 GDADMM Cc1cccc2c1NC(=O)N(Cc1nc(-c3nnn[n-]3)cs1)S2(=O)=O ZINC001571124803 952545320 /nfs/dbraw/zinc/54/53/20/952545320.db2.gz UZUICLGJAINASS-UHFFFAOYSA-N -1 1 377.411 1.368 20 0 GDADMM Cc1cccc2c1NC(=O)N(Cc1nc(-c3nn[n-]n3)cs1)S2(=O)=O ZINC001571124803 952545324 /nfs/dbraw/zinc/54/53/24/952545324.db2.gz UZUICLGJAINASS-UHFFFAOYSA-N -1 1 377.411 1.368 20 0 GDADMM C[C@@H]1Cc2cc(S(=O)(=O)NCc3ccc(-c4nn[n-]n4)s3)ccc2O1 ZINC001571127087 952550577 /nfs/dbraw/zinc/55/05/77/952550577.db2.gz FSKCMHDVOFAYHJ-SECBINFHSA-N -1 1 377.451 1.730 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001575213621 952558758 /nfs/dbraw/zinc/55/87/58/952558758.db2.gz DAGPWECAMSUSFA-SNVBAGLBSA-N -1 1 380.403 1.645 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001575213621 952558760 /nfs/dbraw/zinc/55/87/60/952558760.db2.gz DAGPWECAMSUSFA-SNVBAGLBSA-N -1 1 380.403 1.645 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575213599 952559360 /nfs/dbraw/zinc/55/93/60/952559360.db2.gz BRDRJCBZRJEMBF-JTQLQIEISA-N -1 1 380.403 1.423 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575213599 952559363 /nfs/dbraw/zinc/55/93/63/952559363.db2.gz BRDRJCBZRJEMBF-JTQLQIEISA-N -1 1 380.403 1.423 20 0 GDADMM O=C(N[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2)c1cccnc1 ZINC001571128184 952564754 /nfs/dbraw/zinc/56/47/54/952564754.db2.gz QCFUZNHSWHRKMJ-ZIAGYGMSSA-N -1 1 377.412 1.205 20 0 GDADMM O=C(N[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2)c1cccnc1 ZINC001571128184 952564756 /nfs/dbraw/zinc/56/47/56/952564756.db2.gz QCFUZNHSWHRKMJ-ZIAGYGMSSA-N -1 1 377.412 1.205 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC1CC(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001575214718 952566590 /nfs/dbraw/zinc/56/65/90/952566590.db2.gz OMFAFEQQHHZFBP-UHFFFAOYSA-N -1 1 380.403 1.645 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC1CC(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001575214718 952566595 /nfs/dbraw/zinc/56/65/95/952566595.db2.gz OMFAFEQQHHZFBP-UHFFFAOYSA-N -1 1 380.403 1.645 20 0 GDADMM Cc1nsc(NC2CCN(C(=O)[C@@H]3C[C@H](C)CO3)CC2)c1-c1nn[n-]n1 ZINC001571128570 952568436 /nfs/dbraw/zinc/56/84/36/952568436.db2.gz UVODYFDFJMACKS-CABZTGNLSA-N -1 1 377.474 1.460 20 0 GDADMM Cc1nsc(N2CC[C@H](NC(=O)C[C@@H]3CCCCO3)C2)c1-c1nn[n-]n1 ZINC001571128660 952569895 /nfs/dbraw/zinc/56/98/95/952569895.db2.gz WFOKMJSBVRTQOE-RYUDHWBXSA-N -1 1 377.474 1.286 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571129724 952576853 /nfs/dbraw/zinc/57/68/53/952576853.db2.gz IFLBZBHXNHJUQU-ONGXEEELSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571129724 952576857 /nfs/dbraw/zinc/57/68/57/952576857.db2.gz IFLBZBHXNHJUQU-ONGXEEELSA-N -1 1 378.387 1.351 20 0 GDADMM CC1(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC(F)(F)C1 ZINC001571129768 952576886 /nfs/dbraw/zinc/57/68/86/952576886.db2.gz IMUZPIATONARHB-JTQLQIEISA-N -1 1 378.387 1.177 20 0 GDADMM CN(C[C@@H]1CCCCN1C(=O)[C@@H]1CC1(F)F)c1ccc(-c2nnn[n-]2)nn1 ZINC001571130124 952578369 /nfs/dbraw/zinc/57/83/69/952578369.db2.gz OOAUDYWWTZJBSZ-QWRGUYRKSA-N -1 1 378.387 1.129 20 0 GDADMM CN(C[C@@H]1CCCCN1C(=O)[C@@H]1CC1(F)F)c1ccc(-c2nn[n-]n2)nn1 ZINC001571130124 952578372 /nfs/dbraw/zinc/57/83/72/952578372.db2.gz OOAUDYWWTZJBSZ-QWRGUYRKSA-N -1 1 378.387 1.129 20 0 GDADMM CC1(NC(=O)C2CC(F)(F)C2)CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571130217 952579843 /nfs/dbraw/zinc/57/98/43/952579843.db2.gz PWWPMPOFAJHANZ-UHFFFAOYSA-N -1 1 378.387 1.177 20 0 GDADMM CC1(NC(=O)C2CC(F)(F)C2)CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571130217 952579850 /nfs/dbraw/zinc/57/98/50/952579850.db2.gz PWWPMPOFAJHANZ-UHFFFAOYSA-N -1 1 378.387 1.177 20 0 GDADMM Cc1cccc(C)c1C(=O)NC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571134041 952584658 /nfs/dbraw/zinc/58/46/58/952584658.db2.gz CCVFXJXJOWOTIL-AWEZNQCLSA-N -1 1 378.440 1.530 20 0 GDADMM Cc1cccc(C)c1C(=O)NC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571134041 952584663 /nfs/dbraw/zinc/58/46/63/952584663.db2.gz CCVFXJXJOWOTIL-AWEZNQCLSA-N -1 1 378.440 1.530 20 0 GDADMM Cc1ccc(CC(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571134321 952588332 /nfs/dbraw/zinc/58/83/32/952588332.db2.gz HMVUJHQZVAQIOX-OAHLLOKOSA-N -1 1 378.440 1.293 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001571134434 952590754 /nfs/dbraw/zinc/59/07/54/952590754.db2.gz GEZVYMSKSRTOGQ-HNNXBMFYSA-N -1 1 378.440 1.789 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001571134434 952590757 /nfs/dbraw/zinc/59/07/57/952590757.db2.gz GEZVYMSKSRTOGQ-HNNXBMFYSA-N -1 1 378.440 1.789 20 0 GDADMM Cc1ccccc1[C@H](C)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571134507 952591638 /nfs/dbraw/zinc/59/16/38/952591638.db2.gz JMZRMCZNUDOOOZ-KBPBESRZSA-N -1 1 378.440 1.464 20 0 GDADMM Cc1ccccc1[C@H](C)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571134507 952591641 /nfs/dbraw/zinc/59/16/41/952591641.db2.gz JMZRMCZNUDOOOZ-KBPBESRZSA-N -1 1 378.440 1.464 20 0 GDADMM Cc1cc(C)cc(CC(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571134564 952592236 /nfs/dbraw/zinc/59/22/36/952592236.db2.gz GYSVIOSYOBEVGE-HNNXBMFYSA-N -1 1 378.440 1.529 20 0 GDADMM Cc1cc(C)cc(CC(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571134564 952592239 /nfs/dbraw/zinc/59/22/39/952592239.db2.gz GYSVIOSYOBEVGE-HNNXBMFYSA-N -1 1 378.440 1.529 20 0 GDADMM Cc1ccccc1C(=O)N1CC[C@@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571134684 952594156 /nfs/dbraw/zinc/59/41/56/952594156.db2.gz LXDIMBFGBJLQAD-CQSZACIVSA-N -1 1 378.440 1.929 20 0 GDADMM Cc1ccccc1C(=O)N1CC[C@@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571134684 952594161 /nfs/dbraw/zinc/59/41/61/952594161.db2.gz LXDIMBFGBJLQAD-CQSZACIVSA-N -1 1 378.440 1.929 20 0 GDADMM Cc1ccccc1C(=O)N1CC[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571134682 952594244 /nfs/dbraw/zinc/59/42/44/952594244.db2.gz LXDIMBFGBJLQAD-AWEZNQCLSA-N -1 1 378.440 1.929 20 0 GDADMM Cc1ccccc1C(=O)N1CC[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571134682 952594247 /nfs/dbraw/zinc/59/42/47/952594247.db2.gz LXDIMBFGBJLQAD-AWEZNQCLSA-N -1 1 378.440 1.929 20 0 GDADMM C[C@@H]1C[C@H](NC(=O)C2C=CC=CC=C2)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571134778 952594992 /nfs/dbraw/zinc/59/49/92/952594992.db2.gz LLIDOJSLAGDXTE-UKRRQHHQSA-N -1 1 378.440 1.429 20 0 GDADMM C[C@@H]1C[C@H](NC(=O)C2C=CC=CC=C2)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571134778 952594997 /nfs/dbraw/zinc/59/49/97/952594997.db2.gz LLIDOJSLAGDXTE-UKRRQHHQSA-N -1 1 378.440 1.429 20 0 GDADMM Cc1cccc(CC(=O)N2CCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571135152 952600222 /nfs/dbraw/zinc/60/02/22/952600222.db2.gz SGDVINWIUOPXCP-HNNXBMFYSA-N -1 1 378.440 1.033 20 0 GDADMM Cc1ccccc1C(=O)N1CCC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571135526 952604287 /nfs/dbraw/zinc/60/42/87/952604287.db2.gz ZWBLBWVYCMKVHW-AWEZNQCLSA-N -1 1 378.440 1.351 20 0 GDADMM Cc1cc(C)cc(CC(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571135577 952606104 /nfs/dbraw/zinc/60/61/04/952606104.db2.gz XIPLTNCJTDUDFV-OAHLLOKOSA-N -1 1 378.440 1.211 20 0 GDADMM O=C(c1ccccc1)N1CCCC[C@@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001571140554 952626593 /nfs/dbraw/zinc/62/65/93/952626593.db2.gz CTLPPCBNZSTHKL-OAHLLOKOSA-N -1 1 378.440 1.576 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CC[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571141670 952634564 /nfs/dbraw/zinc/63/45/64/952634564.db2.gz KGQMLXUOBVHFHB-MRVPVSSYSA-N -1 1 378.849 1.940 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CC[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571141670 952634567 /nfs/dbraw/zinc/63/45/67/952634567.db2.gz KGQMLXUOBVHFHB-MRVPVSSYSA-N -1 1 378.849 1.940 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](CNC(=O)c3cccnc3)C2)n1 ZINC001571146732 952652137 /nfs/dbraw/zinc/65/21/37/952652137.db2.gz BAKNFVFWHKAGQG-ZDUSSCGKSA-N -1 1 379.428 1.007 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](CNC(=O)c3cccnc3)C2)n1 ZINC001571146732 952652143 /nfs/dbraw/zinc/65/21/43/952652143.db2.gz BAKNFVFWHKAGQG-ZDUSSCGKSA-N -1 1 379.428 1.007 20 0 GDADMM CCc1ccnc(C(=O)N2C[C@@H](C)[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571147556 952662438 /nfs/dbraw/zinc/66/24/38/952662438.db2.gz NPWBHRDPLRAAHK-IAQYHMDHSA-N -1 1 379.428 1.187 20 0 GDADMM CCc1ccnc(C(=O)N2C[C@@H](C)[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571147556 952662440 /nfs/dbraw/zinc/66/24/40/952662440.db2.gz NPWBHRDPLRAAHK-IAQYHMDHSA-N -1 1 379.428 1.187 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cccnc2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571147888 952664673 /nfs/dbraw/zinc/66/46/73/952664673.db2.gz RSJYLCZFMBVLOO-OCCSQVGLSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cccnc2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571147888 952664674 /nfs/dbraw/zinc/66/46/74/952664674.db2.gz RSJYLCZFMBVLOO-OCCSQVGLSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@H]1[C@H](CO)CCN1S(=O)(=O)c1c2ccccc2sc1-c1nn[n-]n1 ZINC001571150662 952669252 /nfs/dbraw/zinc/66/92/52/952669252.db2.gz DPFXYIGKUDNPKI-UWVGGRQHSA-N -1 1 379.467 1.473 20 0 GDADMM C[C@@H]1[C@@H](CO)CCN1S(=O)(=O)c1c2ccccc2sc1-c1nn[n-]n1 ZINC001571150661 952669499 /nfs/dbraw/zinc/66/94/99/952669499.db2.gz DPFXYIGKUDNPKI-NXEZZACHSA-N -1 1 379.467 1.473 20 0 GDADMM O=C(c1ccccn1)N1CCCCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571150961 952671239 /nfs/dbraw/zinc/67/12/39/952671239.db2.gz ILJMPUCWSCOFOU-ZDUSSCGKSA-N -1 1 379.428 1.549 20 0 GDADMM O=C(c1ccccn1)N1CCCCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571150961 952671242 /nfs/dbraw/zinc/67/12/42/952671242.db2.gz ILJMPUCWSCOFOU-ZDUSSCGKSA-N -1 1 379.428 1.549 20 0 GDADMM O=C(c1cccnc1)N1CCCCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571151052 952672482 /nfs/dbraw/zinc/67/24/82/952672482.db2.gz KCHQWGUCMFAWPG-CQSZACIVSA-N -1 1 379.428 1.549 20 0 GDADMM O=C(c1cccnc1)N1CCCCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571151052 952672487 /nfs/dbraw/zinc/67/24/87/952672487.db2.gz KCHQWGUCMFAWPG-CQSZACIVSA-N -1 1 379.428 1.549 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H](CCNc2nccnc2-c2nnn[n-]2)C1)C(F)F ZINC001571155095 952692796 /nfs/dbraw/zinc/69/27/96/952692796.db2.gz HQTQEEFWPBXVNK-SNVBAGLBSA-N -1 1 380.403 1.599 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H](CCNc2nccnc2-c2nn[n-]n2)C1)C(F)F ZINC001571155095 952692800 /nfs/dbraw/zinc/69/28/00/952692800.db2.gz HQTQEEFWPBXVNK-SNVBAGLBSA-N -1 1 380.403 1.599 20 0 GDADMM CCN(C(=O)c1ccccc1O)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571155380 952695515 /nfs/dbraw/zinc/69/55/15/952695515.db2.gz PXYXKACKDLCCRU-LBPRGKRZSA-N -1 1 380.412 1.103 20 0 GDADMM COC(=O)c1ccc(N2C[C@@H](Cc3ccccc3)[C@H](O)C2)c(-c2nnn[n-]2)n1 ZINC001571155320 952695713 /nfs/dbraw/zinc/69/57/13/952695713.db2.gz NRFZZTLGTIWSQO-CZUORRHYSA-N -1 1 380.408 1.088 20 0 GDADMM COC(=O)c1ccc(N2C[C@@H](Cc3ccccc3)[C@H](O)C2)c(-c2nn[n-]n2)n1 ZINC001571155320 952695716 /nfs/dbraw/zinc/69/57/16/952695716.db2.gz NRFZZTLGTIWSQO-CZUORRHYSA-N -1 1 380.408 1.088 20 0 GDADMM CC(C)(C(=O)N1CCC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)C(F)F ZINC001571155466 952697177 /nfs/dbraw/zinc/69/71/77/952697177.db2.gz SYROVDTZPIMENY-JTQLQIEISA-N -1 1 380.403 1.599 20 0 GDADMM CC(C)(C(=O)N1CCC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)C(F)F ZINC001571155466 952697180 /nfs/dbraw/zinc/69/71/80/952697180.db2.gz SYROVDTZPIMENY-JTQLQIEISA-N -1 1 380.403 1.599 20 0 GDADMM Cc1cnc(C(=O)NCC2CC(Nc3ccc(-c4nnn[n-]4)nn3)C2)c(C)c1 ZINC001571156041 952701562 /nfs/dbraw/zinc/70/15/62/952701562.db2.gz BLSCRHJFYYKXIS-UHFFFAOYSA-N -1 1 379.428 1.289 20 0 GDADMM Cc1cnc(C(=O)NCC2CC(Nc3ccc(-c4nn[n-]n4)nn3)C2)c(C)c1 ZINC001571156041 952701564 /nfs/dbraw/zinc/70/15/64/952701564.db2.gz BLSCRHJFYYKXIS-UHFFFAOYSA-N -1 1 379.428 1.289 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CC2(C)C)cn1 ZINC001571158012 952709143 /nfs/dbraw/zinc/70/91/43/952709143.db2.gz PUHKZCLOEZNCMN-CQSZACIVSA-N -1 1 379.428 1.005 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CC2(C)C)cn1 ZINC001571158012 952709147 /nfs/dbraw/zinc/70/91/47/952709147.db2.gz PUHKZCLOEZNCMN-CQSZACIVSA-N -1 1 379.428 1.005 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CCC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001571158045 952709324 /nfs/dbraw/zinc/70/93/24/952709324.db2.gz QCICDSSYRPZFMQ-UONOGXRCSA-N -1 1 379.428 1.513 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CCC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571158045 952709336 /nfs/dbraw/zinc/70/93/36/952709336.db2.gz QCICDSSYRPZFMQ-UONOGXRCSA-N -1 1 379.428 1.513 20 0 GDADMM Cc1cccc(C(=O)N2CCC[C@H]2CN(C)c2nccnc2-c2nnn[n-]2)n1 ZINC001571158917 952715762 /nfs/dbraw/zinc/71/57/62/952715762.db2.gz UGNVVGFLYZEUJF-ZDUSSCGKSA-N -1 1 379.428 1.101 20 0 GDADMM Cc1cccc(C(=O)N2CCC[C@H]2CN(C)c2nccnc2-c2nn[n-]n2)n1 ZINC001571158917 952715767 /nfs/dbraw/zinc/71/57/67/952715767.db2.gz UGNVVGFLYZEUJF-ZDUSSCGKSA-N -1 1 379.428 1.101 20 0 GDADMM Cc1cc(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C23CCC3)co1 ZINC001571159523 952719642 /nfs/dbraw/zinc/71/96/42/952719642.db2.gz XHDSUVCOSYESFA-KBPBESRZSA-N -1 1 380.412 1.711 20 0 GDADMM Cc1cc(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C23CCC3)co1 ZINC001571159523 952719648 /nfs/dbraw/zinc/71/96/48/952719648.db2.gz XHDSUVCOSYESFA-KBPBESRZSA-N -1 1 380.412 1.711 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CCC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)ccn1 ZINC001571159754 952722356 /nfs/dbraw/zinc/72/23/56/952722356.db2.gz WHBGNUKROREPNA-KBPBESRZSA-N -1 1 379.428 1.513 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CCC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)ccn1 ZINC001571159754 952722358 /nfs/dbraw/zinc/72/23/58/952722358.db2.gz WHBGNUKROREPNA-KBPBESRZSA-N -1 1 379.428 1.513 20 0 GDADMM Cc1coc(C(=O)N2CCC[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]32)c1 ZINC001571160099 952723786 /nfs/dbraw/zinc/72/37/86/952723786.db2.gz DPYBGEAGCBIUHI-QWHCGFSZSA-N -1 1 380.412 1.299 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)nc1C ZINC001571160372 952725777 /nfs/dbraw/zinc/72/57/77/952725777.db2.gz ZOYPYSRELKYNMC-ZDUSSCGKSA-N -1 1 379.428 1.385 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)nc1C ZINC001571160372 952725784 /nfs/dbraw/zinc/72/57/84/952725784.db2.gz ZOYPYSRELKYNMC-ZDUSSCGKSA-N -1 1 379.428 1.385 20 0 GDADMM O=C(c1cc2c(o1)CCCC2)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571161188 952731229 /nfs/dbraw/zinc/73/12/29/952731229.db2.gz QMBRRJCLQCZLOA-GFCCVEGCSA-N -1 1 380.412 1.455 20 0 GDADMM O=C(c1cc2c(o1)CCCC2)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571161188 952731231 /nfs/dbraw/zinc/73/12/31/952731231.db2.gz QMBRRJCLQCZLOA-GFCCVEGCSA-N -1 1 380.412 1.455 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@]3(NC(=O)[C@H]4CC45CC5)CCC[C@@H]23)n1 ZINC001571169842 952779461 /nfs/dbraw/zinc/77/94/61/952779461.db2.gz PDLVMYWFFZPKJK-BBEGDGIKSA-N -1 1 380.456 1.383 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@]3(NC(=O)[C@H]4CC45CC5)CCC[C@@H]23)n1 ZINC001571169842 952779463 /nfs/dbraw/zinc/77/94/63/952779463.db2.gz PDLVMYWFFZPKJK-BBEGDGIKSA-N -1 1 380.456 1.383 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3CN(C(=O)[C@@H]4CC45CC5)C[C@]3(C)C2)n1 ZINC001571170505 952786966 /nfs/dbraw/zinc/78/69/66/952786966.db2.gz VOSRGZGUJNMVEN-ZJNRKIDTSA-N -1 1 380.456 1.050 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3CN(C(=O)[C@@H]4CC45CC5)C[C@]3(C)C2)n1 ZINC001571170505 952786970 /nfs/dbraw/zinc/78/69/70/952786970.db2.gz VOSRGZGUJNMVEN-ZJNRKIDTSA-N -1 1 380.456 1.050 20 0 GDADMM Cc1nocc1C(=O)N1CC[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571172051 952801283 /nfs/dbraw/zinc/80/12/83/952801283.db2.gz LHKWCFWPSTXTOJ-SSDOTTSWSA-N -1 1 380.821 1.600 20 0 GDADMM Cc1nocc1C(=O)N1CC[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571172051 952801287 /nfs/dbraw/zinc/80/12/87/952801287.db2.gz LHKWCFWPSTXTOJ-SSDOTTSWSA-N -1 1 380.821 1.600 20 0 GDADMM O=C(N[C@]12CCC[C@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001571172160 952802251 /nfs/dbraw/zinc/80/22/51/952802251.db2.gz OEQYFNDZENFIRN-AZHRGPDCSA-N -1 1 380.456 1.320 20 0 GDADMM O=C(N[C@]12CCC[C@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001571172160 952802256 /nfs/dbraw/zinc/80/22/56/952802256.db2.gz OEQYFNDZENFIRN-AZHRGPDCSA-N -1 1 380.456 1.320 20 0 GDADMM O=C(N[C@@H]1CCCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1)c1cnco1 ZINC001571172349 952806073 /nfs/dbraw/zinc/80/60/73/952806073.db2.gz SXCRISHYJFETSO-SSDOTTSWSA-N -1 1 380.821 1.363 20 0 GDADMM O=C(N[C@@H]1CCCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1)c1cnco1 ZINC001571172349 952806074 /nfs/dbraw/zinc/80/60/74/952806074.db2.gz SXCRISHYJFETSO-SSDOTTSWSA-N -1 1 380.821 1.363 20 0 GDADMM O=C([C@H]1C[C@H]2C[C@H]2C1)N1CC[C@@H]2[C@H](CCN2c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571172371 952806430 /nfs/dbraw/zinc/80/64/30/952806430.db2.gz UEIBOCQWLBKCGY-USRAEIGSSA-N -1 1 380.456 1.130 20 0 GDADMM O=C([C@H]1C[C@H]2C[C@H]2C1)N1CC[C@@H]2[C@H](CCN2c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571172371 952806435 /nfs/dbraw/zinc/80/64/35/952806435.db2.gz UEIBOCQWLBKCGY-USRAEIGSSA-N -1 1 380.456 1.130 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@](C)(CNc2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001571179538 952853133 /nfs/dbraw/zinc/85/31/33/952853133.db2.gz FOERZGJDFNYOFR-UGSOOPFHSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@](C)(CNc2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001571179538 952853143 /nfs/dbraw/zinc/85/31/43/952853143.db2.gz FOERZGJDFNYOFR-UGSOOPFHSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)CC1)n1cccc1 ZINC001571181774 952865552 /nfs/dbraw/zinc/86/55/52/952865552.db2.gz YGDOCUUIPPIZNP-IHRRRGAJSA-N -1 1 381.444 1.559 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)CC1)n1cccc1 ZINC001571181774 952865563 /nfs/dbraw/zinc/86/55/63/952865563.db2.gz YGDOCUUIPPIZNP-IHRRRGAJSA-N -1 1 381.444 1.559 20 0 GDADMM CCCc1[nH]ccc1C(=O)N1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C[C@@H]1C ZINC001571183474 952878279 /nfs/dbraw/zinc/87/82/79/952878279.db2.gz BEECZYGKNFQOQY-NWDGAFQWSA-N -1 1 381.444 1.074 20 0 GDADMM CCCc1[nH]ccc1C(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571183937 952885755 /nfs/dbraw/zinc/88/57/55/952885755.db2.gz NAHQAVLNLQNXBW-UHFFFAOYSA-N -1 1 381.444 1.558 20 0 GDADMM CCCc1[nH]ccc1C(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571183937 952885759 /nfs/dbraw/zinc/88/57/59/952885759.db2.gz NAHQAVLNLQNXBW-UHFFFAOYSA-N -1 1 381.444 1.558 20 0 GDADMM CCc1[nH]ccc1C(=O)N1CCC(C)(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571183994 952885777 /nfs/dbraw/zinc/88/57/77/952885777.db2.gz OHQOXXSONDLTIO-UHFFFAOYSA-N -1 1 381.444 1.654 20 0 GDADMM CCc1[nH]ccc1C(=O)N1CCC(C)(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571183994 952885780 /nfs/dbraw/zinc/88/57/80/952885780.db2.gz OHQOXXSONDLTIO-UHFFFAOYSA-N -1 1 381.444 1.654 20 0 GDADMM CC(C)n1cccc1C(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571184004 952886717 /nfs/dbraw/zinc/88/67/17/952886717.db2.gz OMFCHYMXOXRYRR-CYBMUJFWSA-N -1 1 381.444 1.756 20 0 GDADMM CC(C)n1cccc1C(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571184004 952886721 /nfs/dbraw/zinc/88/67/21/952886721.db2.gz OMFCHYMXOXRYRR-CYBMUJFWSA-N -1 1 381.444 1.756 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)c2cc(C)[nH]c2C)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571184040 952886746 /nfs/dbraw/zinc/88/67/46/952886746.db2.gz PAUFZCMNMRUOSC-DZGCQCFKSA-N -1 1 381.444 1.389 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)c2cc(C)[nH]c2C)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571184040 952886749 /nfs/dbraw/zinc/88/67/49/952886749.db2.gz PAUFZCMNMRUOSC-DZGCQCFKSA-N -1 1 381.444 1.389 20 0 GDADMM Cc1c(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@H](C)C2)ccn1C ZINC001571184833 952896661 /nfs/dbraw/zinc/89/66/61/952896661.db2.gz DZIXSCRFMVGMRS-RISCZKNCSA-N -1 1 381.444 1.266 20 0 GDADMM Cc1c(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@H](C)C2)ccn1C ZINC001571184833 952896667 /nfs/dbraw/zinc/89/66/67/952896667.db2.gz DZIXSCRFMVGMRS-RISCZKNCSA-N -1 1 381.444 1.266 20 0 GDADMM CCn1cccc1C(=O)N[C@H]1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571185144 952899602 /nfs/dbraw/zinc/89/96/02/952899602.db2.gz IVXVEZRCNDBQRB-OLZOCXBDSA-N -1 1 381.444 1.489 20 0 GDADMM CCn1cccc1C(=O)N[C@H]1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571185144 952899607 /nfs/dbraw/zinc/89/96/07/952899607.db2.gz IVXVEZRCNDBQRB-OLZOCXBDSA-N -1 1 381.444 1.489 20 0 GDADMM Cc1c(C(=O)N2CC[C@@](C)(CNc3nccnc3-c3nnn[n-]3)C2)ccn1C ZINC001571185505 952902244 /nfs/dbraw/zinc/90/22/44/952902244.db2.gz MNPBJUFDTFBYBC-SFHVURJKSA-N -1 1 381.444 1.268 20 0 GDADMM Cc1c(C(=O)N2CC[C@@](C)(CNc3nccnc3-c3nn[n-]n3)C2)ccn1C ZINC001571185505 952902247 /nfs/dbraw/zinc/90/22/47/952902247.db2.gz MNPBJUFDTFBYBC-SFHVURJKSA-N -1 1 381.444 1.268 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)n1C ZINC001571187808 952909951 /nfs/dbraw/zinc/90/99/51/952909951.db2.gz CFKHXSTVHKVNAN-OLZOCXBDSA-N -1 1 381.444 1.314 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)n1C ZINC001571187808 952909956 /nfs/dbraw/zinc/90/99/56/952909956.db2.gz CFKHXSTVHKVNAN-OLZOCXBDSA-N -1 1 381.444 1.314 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@@H]2CC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)[nH]1 ZINC001571188346 952913203 /nfs/dbraw/zinc/91/32/03/952913203.db2.gz IZSQPNDIJQZRCT-CHWSQXEVSA-N -1 1 381.444 1.034 20 0 GDADMM O=C(Cc1ccc[nH]1)N1CCC[C@@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001571188462 952914725 /nfs/dbraw/zinc/91/47/25/952914725.db2.gz BDFJWIQOZBNJGB-ZDUSSCGKSA-N -1 1 381.444 1.268 20 0 GDADMM O=C(Cc1ccc[nH]1)N1CCC[C@@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001571188462 952914730 /nfs/dbraw/zinc/91/47/30/952914730.db2.gz BDFJWIQOZBNJGB-ZDUSSCGKSA-N -1 1 381.444 1.268 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)[C@H](C)C2)n1C ZINC001571189374 952929586 /nfs/dbraw/zinc/92/95/86/952929586.db2.gz VUWJMWRPXAFTRW-OLZOCXBDSA-N -1 1 381.444 1.091 20 0 GDADMM O=c1cc(CN2CCC[C@@H](CC(F)(F)F)C2)nc2c(-c3nn[nH]n3)c[n-]n21 ZINC001571194426 952963363 /nfs/dbraw/zinc/96/33/63/952963363.db2.gz MGLSECPYPUCIII-VIFPVBQESA-N -1 1 382.350 1.779 20 0 GDADMM CC1(C(=O)N2C[C@@H](C(F)(F)F)[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001571194894 952969577 /nfs/dbraw/zinc/96/95/77/952969577.db2.gz VEPXWNIXQUIOFA-PSASIEDQSA-N -1 1 382.350 1.258 20 0 GDADMM CC1(C(=O)N2C[C@@H](C(F)(F)F)[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001571194894 952969586 /nfs/dbraw/zinc/96/95/86/952969586.db2.gz VEPXWNIXQUIOFA-PSASIEDQSA-N -1 1 382.350 1.258 20 0 GDADMM CCc1nc(N[C@H]2C[C@@H](NC(=O)c3ccccc3F)C2)cc(-c2nnn[n-]2)n1 ZINC001571195591 952978179 /nfs/dbraw/zinc/97/81/79/952978179.db2.gz CENGTDGXOHCRHS-PHIMTYICSA-N -1 1 382.403 1.731 20 0 GDADMM CCc1nc(N[C@H]2C[C@@H](NC(=O)c3ccccc3F)C2)cc(-c2nn[n-]n2)n1 ZINC001571195591 952978182 /nfs/dbraw/zinc/97/81/82/952978182.db2.gz CENGTDGXOHCRHS-PHIMTYICSA-N -1 1 382.403 1.731 20 0 GDADMM Cc1cccc(C(=O)N[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)c1F ZINC001571196892 952984700 /nfs/dbraw/zinc/98/47/00/952984700.db2.gz PBQZDUPFHOGHBI-GFCCVEGCSA-N -1 1 382.403 1.503 20 0 GDADMM Cc1cccc(C(=O)N[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)c1F ZINC001571196892 952984704 /nfs/dbraw/zinc/98/47/04/952984704.db2.gz PBQZDUPFHOGHBI-GFCCVEGCSA-N -1 1 382.403 1.503 20 0 GDADMM CCc1nc(N[C@H]2CCN(C(=O)c3ccccc3F)C2)cc(-c2nnn[n-]2)n1 ZINC001571197411 952990212 /nfs/dbraw/zinc/99/02/12/952990212.db2.gz ZKVNYRXOYNJINP-NSHDSACASA-N -1 1 382.403 1.685 20 0 GDADMM CCc1nc(N[C@H]2CCN(C(=O)c3ccccc3F)C2)cc(-c2nn[n-]n2)n1 ZINC001571197411 952990217 /nfs/dbraw/zinc/99/02/17/952990217.db2.gz ZKVNYRXOYNJINP-NSHDSACASA-N -1 1 382.403 1.685 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@H]2C)ccc1F ZINC001571197366 952990276 /nfs/dbraw/zinc/99/02/76/952990276.db2.gz YAGPUOXPXDTNFQ-BXUZGUMPSA-N -1 1 382.403 1.819 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@H]2C)ccc1F ZINC001571197366 952990280 /nfs/dbraw/zinc/99/02/80/952990280.db2.gz YAGPUOXPXDTNFQ-BXUZGUMPSA-N -1 1 382.403 1.819 20 0 GDADMM CCc1nc(N[C@@H]2CCCN(C(=O)c3occc3C)C2)cc(-c2nnn[n-]2)n1 ZINC001571199289 952999534 /nfs/dbraw/zinc/99/95/34/952999534.db2.gz PAOCFTAFUUMHIL-GFCCVEGCSA-N -1 1 382.428 1.837 20 0 GDADMM CCc1nc(N[C@@H]2CCCN(C(=O)c3occc3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571199289 952999540 /nfs/dbraw/zinc/99/95/40/952999540.db2.gz PAOCFTAFUUMHIL-GFCCVEGCSA-N -1 1 382.428 1.837 20 0 GDADMM CCc1nc(NC[C@H]2CCN(C(=O)Cc3ccco3)C2)cc(-c2nnn[n-]2)n1 ZINC001571199658 953003279 /nfs/dbraw/zinc/00/32/79/953003279.db2.gz XYHRCAAWWKENOL-GFCCVEGCSA-N -1 1 382.428 1.315 20 0 GDADMM CCc1nc(NC[C@H]2CCN(C(=O)Cc3ccco3)C2)cc(-c2nn[n-]n2)n1 ZINC001571199658 953003282 /nfs/dbraw/zinc/00/32/82/953003282.db2.gz XYHRCAAWWKENOL-GFCCVEGCSA-N -1 1 382.428 1.315 20 0 GDADMM C[C@H]1CN(C(=O)CCc2ccco2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571199926 953004916 /nfs/dbraw/zinc/00/49/16/953004916.db2.gz CVRIDKYLPGXZIX-QWHCGFSZSA-N -1 1 382.428 1.389 20 0 GDADMM C[C@H]1CN(C(=O)CCc2ccco2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571199926 953004919 /nfs/dbraw/zinc/00/49/19/953004919.db2.gz CVRIDKYLPGXZIX-QWHCGFSZSA-N -1 1 382.428 1.389 20 0 GDADMM Cc1ccoc1C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)CC1(C)C ZINC001571201046 953014168 /nfs/dbraw/zinc/01/41/68/953014168.db2.gz IVRDRWDDAQALES-GFCCVEGCSA-N -1 1 382.428 1.593 20 0 GDADMM Cc1ccoc1C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)CC1(C)C ZINC001571201046 953014170 /nfs/dbraw/zinc/01/41/70/953014170.db2.gz IVRDRWDDAQALES-GFCCVEGCSA-N -1 1 382.428 1.593 20 0 GDADMM O=C(NC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cccc(F)c1 ZINC001571201133 953015256 /nfs/dbraw/zinc/01/52/56/953015256.db2.gz NMXWFKQOBZBJEO-LBPRGKRZSA-N -1 1 382.403 1.442 20 0 GDADMM O=C(NC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cccc(F)c1 ZINC001571201133 953015261 /nfs/dbraw/zinc/01/52/61/953015261.db2.gz NMXWFKQOBZBJEO-LBPRGKRZSA-N -1 1 382.403 1.442 20 0 GDADMM O=C(NC[C@@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1)c1ccccc1F ZINC001571202145 953023090 /nfs/dbraw/zinc/02/30/90/953023090.db2.gz VSDZDRBABPCJAK-LBPRGKRZSA-N -1 1 382.403 1.585 20 0 GDADMM O=C(NC[C@@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1)c1ccccc1F ZINC001571202145 953023093 /nfs/dbraw/zinc/02/30/93/953023093.db2.gz VSDZDRBABPCJAK-LBPRGKRZSA-N -1 1 382.403 1.585 20 0 GDADMM Cc1cc(C(=O)NC[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)c(C)o1 ZINC001571202167 953023181 /nfs/dbraw/zinc/02/31/81/953023181.db2.gz RIHMHLPHVMZPPX-ZDUSSCGKSA-N -1 1 382.428 1.513 20 0 GDADMM Cc1cc(C(=O)NC[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)c(C)o1 ZINC001571202167 953023184 /nfs/dbraw/zinc/02/31/84/953023184.db2.gz RIHMHLPHVMZPPX-ZDUSSCGKSA-N -1 1 382.428 1.513 20 0 GDADMM O=C(Cc1ccoc1)N1CCCCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571204610 953031587 /nfs/dbraw/zinc/03/15/87/953031587.db2.gz AMHVMYHZLPXEGC-AWEZNQCLSA-N -1 1 382.428 1.676 20 0 GDADMM O=C(Cc1ccoc1)N1CCCCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571204610 953031592 /nfs/dbraw/zinc/03/15/92/953031592.db2.gz AMHVMYHZLPXEGC-AWEZNQCLSA-N -1 1 382.428 1.676 20 0 GDADMM CC(C)n1nccc1C(=O)N(C)C1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571204890 953033736 /nfs/dbraw/zinc/03/37/36/953033736.db2.gz FAYQLQYWIXIVFG-UHFFFAOYSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1nccc1C(=O)N(C)C1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571204890 953033740 /nfs/dbraw/zinc/03/37/40/953033740.db2.gz FAYQLQYWIXIVFG-UHFFFAOYSA-N -1 1 382.432 1.149 20 0 GDADMM CC[C@H](C)n1nccc1C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571205683 953041591 /nfs/dbraw/zinc/04/15/91/953041591.db2.gz MXGJVXDXHKPCEA-RYUDHWBXSA-N -1 1 382.432 1.151 20 0 GDADMM CC[C@H](C)n1nccc1C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571205683 953041596 /nfs/dbraw/zinc/04/15/96/953041596.db2.gz MXGJVXDXHKPCEA-RYUDHWBXSA-N -1 1 382.432 1.151 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@H](NC(=O)c3cnn(C(C)C)c3)C2)n1 ZINC001571205779 953042626 /nfs/dbraw/zinc/04/26/26/953042626.db2.gz AQXDKHBMEBWQTH-JOCQHMNTSA-N -1 1 382.432 1.115 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@H](NC(=O)c3cnn(C(C)C)c3)C2)n1 ZINC001571205779 953042631 /nfs/dbraw/zinc/04/26/31/953042631.db2.gz AQXDKHBMEBWQTH-JOCQHMNTSA-N -1 1 382.432 1.115 20 0 GDADMM Cc1c[nH]nc1C(=O)N1CCCC[C@@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001571206691 953053566 /nfs/dbraw/zinc/05/35/66/953053566.db2.gz JFKARBOOGLCKMV-GFCCVEGCSA-N -1 1 382.432 1.185 20 0 GDADMM Cc1c[nH]nc1C(=O)N1CCCC[C@@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001571206691 953053567 /nfs/dbraw/zinc/05/35/67/953053567.db2.gz JFKARBOOGLCKMV-GFCCVEGCSA-N -1 1 382.432 1.185 20 0 GDADMM Cc1occc1C(=O)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001571207349 953062065 /nfs/dbraw/zinc/06/20/65/953062065.db2.gz YGFDCRJHLUHGJS-YPMHNXCESA-N -1 1 382.428 1.768 20 0 GDADMM Cc1occc1C(=O)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001571207349 953062068 /nfs/dbraw/zinc/06/20/68/953062068.db2.gz YGFDCRJHLUHGJS-YPMHNXCESA-N -1 1 382.428 1.768 20 0 GDADMM Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccnc(-c3nn[n-]n3)n2)s1 ZINC001571210541 953072223 /nfs/dbraw/zinc/07/22/23/953072223.db2.gz RUTLAZLZFYXDKX-TXEJJXNPSA-N -1 1 382.453 1.520 20 0 GDADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC001571211538 953077549 /nfs/dbraw/zinc/07/75/49/953077549.db2.gz BAHXWTGXFRKVJU-BYCMXARLSA-N -1 1 382.472 1.742 20 0 GDADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC001571211538 953077554 /nfs/dbraw/zinc/07/75/54/953077554.db2.gz BAHXWTGXFRKVJU-BYCMXARLSA-N -1 1 382.472 1.742 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCN(C(=O)[C@H]3CC34CCCC4)CC2)n1 ZINC001571211742 953080266 /nfs/dbraw/zinc/08/02/66/953080266.db2.gz DVOOZUGZSSVPSF-CQSZACIVSA-N -1 1 382.472 1.584 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCN(C(=O)[C@H]3CC34CCCC4)CC2)n1 ZINC001571211742 953080268 /nfs/dbraw/zinc/08/02/68/953080268.db2.gz DVOOZUGZSSVPSF-CQSZACIVSA-N -1 1 382.472 1.584 20 0 GDADMM C[C@@]1(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571211751 953080320 /nfs/dbraw/zinc/08/03/20/953080320.db2.gz FCIVYARROVUILT-VYGYDYRJSA-N -1 1 382.472 1.568 20 0 GDADMM CC(C)(C)C12CC(C(=O)N[C@@H]3CCN(c4ccnc(-c5nn[n-]n5)n4)C3)(C1)C2 ZINC001571211794 953081714 /nfs/dbraw/zinc/08/17/14/953081714.db2.gz GTALIXWBRBWSPE-PIHIASKNSA-N -1 1 382.472 1.568 20 0 GDADMM CCc1nc(N[C@H]2CCCN(C(=O)C3CC4(CC4)C3)C2)cc(-c2nnn[n-]2)n1 ZINC001571211798 953081791 /nfs/dbraw/zinc/08/17/91/953081791.db2.gz GTLNOFHNIYTJMZ-ZDUSSCGKSA-N -1 1 382.472 1.812 20 0 GDADMM CCc1nc(N[C@H]2CCCN(C(=O)C3CC4(CC4)C3)C2)cc(-c2nn[n-]n2)n1 ZINC001571211798 953081796 /nfs/dbraw/zinc/08/17/96/953081796.db2.gz GTLNOFHNIYTJMZ-ZDUSSCGKSA-N -1 1 382.472 1.812 20 0 GDADMM CC1(C(=O)N2CC[C@H]3[C@H](CCN3c3cnc(-c4nnn[n-]4)cn3)C2)CCCC1 ZINC001571212081 953083384 /nfs/dbraw/zinc/08/33/84/953083384.db2.gz IPCVYAMBTGPXQO-HIFRSBDPSA-N -1 1 382.472 1.664 20 0 GDADMM CC1(C(=O)N2CC[C@H]3[C@H](CCN3c3cnc(-c4nn[n-]n4)cn3)C2)CCCC1 ZINC001571212081 953083389 /nfs/dbraw/zinc/08/33/89/953083389.db2.gz IPCVYAMBTGPXQO-HIFRSBDPSA-N -1 1 382.472 1.664 20 0 GDADMM Cc1ncc(C(=O)N[C@H]2CCCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)[nH]1 ZINC001571212166 953084785 /nfs/dbraw/zinc/08/47/85/953084785.db2.gz KIJYQIAIXRGECQ-NEPJUHHUSA-N -1 1 382.432 1.089 20 0 GDADMM CN(C(=O)[C@@H]1C[C@H]1C1CC1)C1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571212241 953085665 /nfs/dbraw/zinc/08/56/65/953085665.db2.gz JYOHAEDHAFOWKI-PFSRBDOWSA-N -1 1 382.472 1.884 20 0 GDADMM CN(C(=O)[C@@H]1C[C@H]1C1CC1)C1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571212241 953085668 /nfs/dbraw/zinc/08/56/68/953085668.db2.gz JYOHAEDHAFOWKI-PFSRBDOWSA-N -1 1 382.472 1.884 20 0 GDADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCN(C(=O)[C@H]2CC23CCCC3)C1 ZINC001571212446 953088140 /nfs/dbraw/zinc/08/81/40/953088140.db2.gz LQPCOHBXMYKPAI-UONOGXRCSA-N -1 1 382.472 1.664 20 0 GDADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCN(C(=O)[C@H]2CC23CCCC3)C1 ZINC001571212446 953088143 /nfs/dbraw/zinc/08/81/43/953088143.db2.gz LQPCOHBXMYKPAI-UONOGXRCSA-N -1 1 382.472 1.664 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H]3[C@@H](CCCN3C(=O)C3CC3)C2)n1 ZINC001571212527 953089003 /nfs/dbraw/zinc/08/90/03/953089003.db2.gz MWIPCLHNBLFJPE-ZFWWWQNUSA-N -1 1 382.472 1.446 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H]3[C@@H](CCCN3C(=O)C3CC3)C2)n1 ZINC001571212527 953089008 /nfs/dbraw/zinc/08/90/08/953089008.db2.gz MWIPCLHNBLFJPE-ZFWWWQNUSA-N -1 1 382.472 1.446 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](N(C)C(=O)[C@@H]3C[C@H]3C3CC3)C2)n1 ZINC001571212849 953090269 /nfs/dbraw/zinc/09/02/69/953090269.db2.gz NOGMDMANQQRFSK-MELADBBJSA-N -1 1 382.472 1.302 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](N(C)C(=O)[C@@H]3C[C@H]3C3CC3)C2)n1 ZINC001571212849 953090273 /nfs/dbraw/zinc/09/02/73/953090273.db2.gz NOGMDMANQQRFSK-MELADBBJSA-N -1 1 382.472 1.302 20 0 GDADMM CCc1nc(NC[C@@H]2CCCN(C(=O)[C@@H]3CC34CC4)C2)cc(-c2nnn[n-]2)n1 ZINC001571212900 953091259 /nfs/dbraw/zinc/09/12/59/953091259.db2.gz NYXRSGHUXKONRN-STQMWFEESA-N -1 1 382.472 1.670 20 0 GDADMM CCc1nc(NC[C@@H]2CCCN(C(=O)[C@@H]3CC34CC4)C2)cc(-c2nn[n-]n2)n1 ZINC001571212900 953091261 /nfs/dbraw/zinc/09/12/61/953091261.db2.gz NYXRSGHUXKONRN-STQMWFEESA-N -1 1 382.472 1.670 20 0 GDADMM C[C@@H]1CCC[C@@H]1CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571214021 953098212 /nfs/dbraw/zinc/09/82/12/953098212.db2.gz VFYLAEJDXUQNMU-TUVASFSCSA-N -1 1 382.472 1.663 20 0 GDADMM COc1ncc(NC(=O)C[C@@H]2C(=O)Nc3c2cccc3F)cc1-c1nn[n-]n1 ZINC001571217247 953106401 /nfs/dbraw/zinc/10/64/01/953106401.db2.gz DBJMEDCZIFAJJV-JTQLQIEISA-N -1 1 383.343 1.474 20 0 GDADMM O=C(CC1CCCC1)NC1CC2(C1)CC(Nc1ccnc(-c3nn[n-]n3)n1)C2 ZINC001571217223 953106528 /nfs/dbraw/zinc/10/65/28/953106528.db2.gz CQISPHNQSRSYFO-UHFFFAOYSA-N -1 1 382.472 1.498 20 0 GDADMM O=C(C1CC2(CC2)C1)N1CCC[C@@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001571217344 953107147 /nfs/dbraw/zinc/10/71/47/953107147.db2.gz FWADVSHQUUMYDK-ZDUSSCGKSA-N -1 1 382.472 1.888 20 0 GDADMM O=C(C1CC2(CC2)C1)N1CCC[C@@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001571217344 953107151 /nfs/dbraw/zinc/10/71/51/953107151.db2.gz FWADVSHQUUMYDK-ZDUSSCGKSA-N -1 1 382.472 1.888 20 0 GDADMM O=C(N[C@H]1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)C12CCC(CC1)C2 ZINC001571218764 953119097 /nfs/dbraw/zinc/11/90/97/953119097.db2.gz QMXDDUPFWSUTIA-SGJMOYSZSA-N -1 1 382.472 1.934 20 0 GDADMM O=C(N[C@H]1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)C12CCC(CC1)C2 ZINC001571218764 953119100 /nfs/dbraw/zinc/11/91/00/953119100.db2.gz QMXDDUPFWSUTIA-SGJMOYSZSA-N -1 1 382.472 1.934 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C12CCC2)c1cc(F)c[nH]1 ZINC001571218839 953119456 /nfs/dbraw/zinc/11/94/56/953119456.db2.gz FHRJEIWAOBHKNB-RYUDHWBXSA-N -1 1 383.391 1.277 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C12CCC2)c1cc(F)c[nH]1 ZINC001571218839 953119458 /nfs/dbraw/zinc/11/94/58/953119458.db2.gz FHRJEIWAOBHKNB-RYUDHWBXSA-N -1 1 383.391 1.277 20 0 GDADMM O=C(CC1CC1)N1CCCC[C@H]1[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571219076 953122270 /nfs/dbraw/zinc/12/22/70/953122270.db2.gz UQESIPAWZUPLAL-HOCLYGCPSA-N -1 1 382.472 1.664 20 0 GDADMM O=C(CC1CC1)N1CCCC[C@H]1[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571219076 953122272 /nfs/dbraw/zinc/12/22/72/953122272.db2.gz UQESIPAWZUPLAL-HOCLYGCPSA-N -1 1 382.472 1.664 20 0 GDADMM O=C(c1cccc(Cl)c1)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1 ZINC001571219297 953124047 /nfs/dbraw/zinc/12/40/47/953124047.db2.gz WRXHRDVZNPNVRE-STQMWFEESA-N -1 1 382.815 1.413 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCN(C(=O)c3ccc(F)cn3)C2)n1 ZINC001571219435 953125924 /nfs/dbraw/zinc/12/59/24/953125924.db2.gz OPEMRMIZKVWWQD-GFCCVEGCSA-N -1 1 383.391 1.216 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCN(C(=O)c3ccc(F)cn3)C2)n1 ZINC001571219435 953125925 /nfs/dbraw/zinc/12/59/25/953125925.db2.gz OPEMRMIZKVWWQD-GFCCVEGCSA-N -1 1 383.391 1.216 20 0 GDADMM O=C(NC[C@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1)[C@@H]1CCCC12CC2 ZINC001571219421 953126010 /nfs/dbraw/zinc/12/60/10/953126010.db2.gz ZNFBHDBUIAPGNA-KGLIPLIRSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(NC[C@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1)[C@@H]1CCCC12CC2 ZINC001571219421 953126013 /nfs/dbraw/zinc/12/60/13/953126013.db2.gz ZNFBHDBUIAPGNA-KGLIPLIRSA-N -1 1 382.472 1.712 20 0 GDADMM CC[C@@H]1CN(C(=O)c2ccon2)CC[C@@H]1Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001571223152 953141636 /nfs/dbraw/zinc/14/16/36/953141636.db2.gz ONIBBJXYEKUQEM-NEPJUHHUSA-N -1 1 383.416 1.306 20 0 GDADMM CC[C@@H]1CN(C(=O)c2ccon2)CC[C@@H]1Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001571223152 953141638 /nfs/dbraw/zinc/14/16/38/953141638.db2.gz ONIBBJXYEKUQEM-NEPJUHHUSA-N -1 1 383.416 1.306 20 0 GDADMM CCc1nc(C(=O)N2CCCC[C@H]2CNc2cnc(-c3nnn[n-]3)cn2)co1 ZINC001571224032 953148788 /nfs/dbraw/zinc/14/87/88/953148788.db2.gz XFNWRYFBAVUCMT-NSHDSACASA-N -1 1 383.416 1.314 20 0 GDADMM CCc1nc(C(=O)N2CCCC[C@H]2CNc2cnc(-c3nn[n-]n3)cn2)co1 ZINC001571224032 953148789 /nfs/dbraw/zinc/14/87/89/953148789.db2.gz XFNWRYFBAVUCMT-NSHDSACASA-N -1 1 383.416 1.314 20 0 GDADMM Cc1noc(C)c1C(=O)N[C@@H]1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571225298 953152879 /nfs/dbraw/zinc/15/28/79/953152879.db2.gz JKDHXEINZKAPLE-NWDGAFQWSA-N -1 1 383.416 1.272 20 0 GDADMM Cc1noc(C)c1C(=O)N[C@@H]1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571225298 953152880 /nfs/dbraw/zinc/15/28/80/953152880.db2.gz JKDHXEINZKAPLE-NWDGAFQWSA-N -1 1 383.416 1.272 20 0 GDADMM Cc1nc(C)c(C(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)[C@@H](C)C2)o1 ZINC001571225888 953154641 /nfs/dbraw/zinc/15/46/41/953154641.db2.gz NNGSXPNBCNLDKP-JOYOIKCWSA-N -1 1 383.416 1.224 20 0 GDADMM Cc1nc(C)c(C(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)[C@@H](C)C2)o1 ZINC001571225888 953154643 /nfs/dbraw/zinc/15/46/43/953154643.db2.gz NNGSXPNBCNLDKP-JOYOIKCWSA-N -1 1 383.416 1.224 20 0 GDADMM Cc1nc(C(=O)N2CC[C@@H]([C@@H](C)Nc3nccnc3-c3nnn[n-]3)C2)c(C)o1 ZINC001571225952 953155003 /nfs/dbraw/zinc/15/50/03/953155003.db2.gz PBIHNSMEHCREFP-BXKDBHETSA-N -1 1 383.416 1.224 20 0 GDADMM Cc1nc(C(=O)N2CC[C@@H]([C@@H](C)Nc3nccnc3-c3nn[n-]n3)C2)c(C)o1 ZINC001571225952 953155005 /nfs/dbraw/zinc/15/50/05/953155005.db2.gz PBIHNSMEHCREFP-BXKDBHETSA-N -1 1 383.416 1.224 20 0 GDADMM Cc1ncoc1C(=O)N1CCCC[C@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001571226650 953156725 /nfs/dbraw/zinc/15/67/25/953156725.db2.gz UPUPOEPBUUVWHO-LBPRGKRZSA-N -1 1 383.416 1.450 20 0 GDADMM Cc1ncoc1C(=O)N1CCCC[C@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001571226650 953156727 /nfs/dbraw/zinc/15/67/27/953156727.db2.gz UPUPOEPBUUVWHO-LBPRGKRZSA-N -1 1 383.416 1.450 20 0 GDADMM Cc1nocc1C(=O)N1CCC[C@@H](C)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571228843 953166576 /nfs/dbraw/zinc/16/65/76/953166576.db2.gz WJXXWWBSZDEOOZ-MFKMUULPSA-N -1 1 383.416 1.306 20 0 GDADMM Cc1nocc1C(=O)N1CCC[C@@H](C)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571228843 953166577 /nfs/dbraw/zinc/16/65/77/953166577.db2.gz WJXXWWBSZDEOOZ-MFKMUULPSA-N -1 1 383.416 1.306 20 0 GDADMM Cc1nocc1C(=O)N1CCCCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571228864 953167109 /nfs/dbraw/zinc/16/71/09/953167109.db2.gz WYKZSUQAJHPCRO-LBPRGKRZSA-N -1 1 383.416 1.450 20 0 GDADMM Cc1nocc1C(=O)N1CCCCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571228864 953167110 /nfs/dbraw/zinc/16/71/10/953167110.db2.gz 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CCCC(=O)N1C[C@H](CNc2nccnc2-c2nn[n-]n2)[C@H](C(F)(F)F)C1 ZINC001571234898 953206657 /nfs/dbraw/zinc/20/66/57/953206657.db2.gz MBSTZOOMQYYVHR-VHSXEESVSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@@H]1CCN(C(=O)CC(F)(F)F)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571235160 953209313 /nfs/dbraw/zinc/20/93/13/953209313.db2.gz VGVNRSMKYLGLCZ-ZJUUUORDSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@@H]1CCN(C(=O)CC(F)(F)F)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571235160 953209316 /nfs/dbraw/zinc/20/93/16/953209316.db2.gz VGVNRSMKYLGLCZ-ZJUUUORDSA-N -1 1 384.366 1.506 20 0 GDADMM O=C(NCCN1Cc2ccccc2OCC1=O)c1csc(-c2nn[n-]n2)c1 ZINC001571241867 953250405 /nfs/dbraw/zinc/25/04/05/953250405.db2.gz OBQDNCSCLIBLTN-UHFFFAOYSA-N -1 1 384.421 1.079 20 0 GDADMM Cc1ccc(CC(=O)N2C[C@H](Nc3nccnc3-c3nnn[n-]3)[C@@H](C)C2)s1 ZINC001571244554 953264857 /nfs/dbraw/zinc/26/48/57/953264857.db2.gz APSDDDUMLLRMGW-GWCFXTLKSA-N -1 1 384.469 1.528 20 0 GDADMM Cc1ccc(CC(=O)N2C[C@H](Nc3nccnc3-c3nn[n-]n3)[C@@H](C)C2)s1 ZINC001571244554 953264858 /nfs/dbraw/zinc/26/48/58/953264858.db2.gz APSDDDUMLLRMGW-GWCFXTLKSA-N -1 1 384.469 1.528 20 0 GDADMM Cc1cc(C(=O)NC[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)sc1C ZINC001571244561 953265164 /nfs/dbraw/zinc/26/51/64/953265164.db2.gz AUKMEYKZHWFIOW-GFCCVEGCSA-N -1 1 384.469 1.591 20 0 GDADMM Cc1cc(C(=O)NC[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)sc1C ZINC001571244561 953265166 /nfs/dbraw/zinc/26/51/66/953265166.db2.gz AUKMEYKZHWFIOW-GFCCVEGCSA-N -1 1 384.469 1.591 20 0 GDADMM Cc1cc(C(=O)N[C@H]2C[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)sc1C ZINC001571244610 953265259 /nfs/dbraw/zinc/26/52/59/953265259.db2.gz CFPHTTJSZIQWMX-HAQNSBGRSA-N -1 1 384.469 1.377 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cccs2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571244926 953268224 /nfs/dbraw/zinc/26/82/24/953268224.db2.gz AEHRFJRRPJIPPW-NWDGAFQWSA-N -1 1 384.469 1.493 20 0 GDADMM Cc1csc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)[C@@H]2C)c1 ZINC001571245162 953270920 /nfs/dbraw/zinc/27/09/20/953270920.db2.gz OWDYNBJRMIFECW-NEPJUHHUSA-N -1 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CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)c3cc(C)cs3)C2)n1 ZINC001571245604 953275100 /nfs/dbraw/zinc/27/51/00/953275100.db2.gz WLVAMKYFVBHUSI-NSHDSACASA-N -1 1 384.469 1.598 20 0 GDADMM CCc1ccc(C(=O)N2CC[C@@H](N(C)c3cnc(-c4nnn[n-]4)cn3)C2)s1 ZINC001571245595 953275484 /nfs/dbraw/zinc/27/54/84/953275484.db2.gz WGEXRDOUNHIHIV-LLVKDONJSA-N -1 1 384.469 1.632 20 0 GDADMM CCc1ccc(C(=O)N2CC[C@@H](N(C)c3cnc(-c4nn[n-]n4)cn3)C2)s1 ZINC001571245595 953275486 /nfs/dbraw/zinc/27/54/86/953275486.db2.gz WGEXRDOUNHIHIV-LLVKDONJSA-N -1 1 384.469 1.632 20 0 GDADMM Cc1scc(C(=O)N[C@H]2C[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)c1C ZINC001571247642 953284167 /nfs/dbraw/zinc/28/41/67/953284167.db2.gz BJSDEZKYONJGAH-HAQNSBGRSA-N -1 1 384.469 1.956 20 0 GDADMM Cc1scc(C(=O)N[C@H]2C[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)c1C ZINC001571247642 953284170 /nfs/dbraw/zinc/28/41/70/953284170.db2.gz BJSDEZKYONJGAH-HAQNSBGRSA-N -1 1 384.469 1.956 20 0 GDADMM Cc1sccc1CC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571248718 953296981 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1 384.488 1.698 20 0 GDADMM CCC[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](N(C)c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571251396 953316680 /nfs/dbraw/zinc/31/66/80/953316680.db2.gz XBKLNZPXPDJYBX-RBSFLKMASA-N -1 1 384.488 1.829 20 0 GDADMM CCC[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](N(C)c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571251396 953316682 /nfs/dbraw/zinc/31/66/82/953316682.db2.gz XBKLNZPXPDJYBX-RBSFLKMASA-N -1 1 384.488 1.829 20 0 GDADMM CCc1nc(NCC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C)C[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571252500 953329583 /nfs/dbraw/zinc/32/95/83/953329583.db2.gz NZDYAVKIBHTQOC-AAVRWANBSA-N -1 1 384.488 1.772 20 0 GDADMM CCc1nc(NCC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C)C[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571252500 953329588 /nfs/dbraw/zinc/32/95/88/953329588.db2.gz NZDYAVKIBHTQOC-AAVRWANBSA-N -1 1 384.488 1.772 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N(C)C[C@@H]2CCCCN2C(=O)CC2CC2)n1 ZINC001571252930 953334258 /nfs/dbraw/zinc/33/42/58/953334258.db2.gz ZFYACHIIYAHVSY-AWEZNQCLSA-N -1 1 384.488 1.837 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N(C)C[C@@H]2CCCCN2C(=O)CC2CC2)n1 ZINC001571252930 953334261 /nfs/dbraw/zinc/33/42/61/953334261.db2.gz ZFYACHIIYAHVSY-AWEZNQCLSA-N -1 1 384.488 1.837 20 0 GDADMM CC[C@H](C)[C@H](NC(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2)C(=O)[O-] ZINC001593614249 953486590 /nfs/dbraw/zinc/48/65/90/953486590.db2.gz YRWCRNKHTGCIMG-GWCFXTLKSA-N -1 1 380.445 1.932 20 0 GDADMM COc1cc(OC)c(CNC(=O)CN2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c(OC)c1 ZINC000566219735 953621944 /nfs/dbraw/zinc/62/19/44/953621944.db2.gz HKYGRULWHWNOQF-DOMZBBRYSA-N -1 1 380.441 1.371 20 0 GDADMM O=C([O-])C1CCN(S(=O)(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000570277105 953653890 /nfs/dbraw/zinc/65/38/90/953653890.db2.gz ZGUZWGCBTIUCLS-UHFFFAOYSA-N -1 1 381.498 1.066 20 0 GDADMM C[C@@H]1CN(C(=O)NCCCN2CCN(c3ccccc3)CC2)CC[C@@H]1C(=O)[O-] ZINC000626746099 953799904 /nfs/dbraw/zinc/79/99/04/953799904.db2.gz LNMYKFXZCRFWLJ-MJGOQNOKSA-N -1 1 388.512 1.951 20 0 GDADMM COc1ccnc(N2CCN(C(=O)NC[C@](C)(C(=O)[O-])c3ccccc3)CC2)c1 ZINC000652108107 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532024122 /nfs/dbraw/zinc/02/41/22/532024122.db2.gz PLHFMVUCTNJKPM-UHFFFAOYSA-N -1 1 380.436 1.383 20 0 GDADMM COCCOCCS(=O)(=O)[N-]c1ccc(Br)c(C(=O)OC)c1 ZINC000271589884 532028714 /nfs/dbraw/zinc/02/87/14/532028714.db2.gz FMNOPHMBSPODQD-UHFFFAOYSA-N -1 1 396.259 1.640 20 0 GDADMM Cc1nc(C)c(CNS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)s1 ZINC000462503342 532050749 /nfs/dbraw/zinc/05/07/49/532050749.db2.gz PPEZEPXOWBLOGO-UHFFFAOYSA-N -1 1 393.487 1.749 20 0 GDADMM CC(C)N(CCOCCO)C(=O)c1cc(I)ccc1[O-] ZINC000312320936 532055031 /nfs/dbraw/zinc/05/50/31/532055031.db2.gz HGOMJMRBSNALIW-UHFFFAOYSA-N -1 1 393.221 1.856 20 0 GDADMM O=C([O-])CN1CCCN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC1 ZINC000323084458 532070825 /nfs/dbraw/zinc/07/08/25/532070825.db2.gz VOLJBMYMPRTTLE-UHFFFAOYSA-N -1 1 385.244 1.914 20 0 GDADMM CS(=O)(=O)c1cccc(CS(=O)(=O)[N-]c2cnc(CC3CC3)nc2)c1 ZINC000580397377 532074089 /nfs/dbraw/zinc/07/40/89/532074089.db2.gz CDGGVIYTIPXIQL-UHFFFAOYSA-N -1 1 381.479 1.775 20 0 GDADMM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000327205842 532080768 /nfs/dbraw/zinc/08/07/68/532080768.db2.gz IVCBRQYBUNXZBJ-QWHCGFSZSA-N -1 1 388.873 1.488 20 0 GDADMM CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)[N-]c1nc(C)c(C)o1 ZINC000272155573 532081868 /nfs/dbraw/zinc/08/18/68/532081868.db2.gz MUYMPZMMVHQAOE-UHFFFAOYSA-N -1 1 389.455 1.862 20 0 GDADMM O=C(Cc1ccc(I)cc1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000373806862 532098900 /nfs/dbraw/zinc/09/89/00/532098900.db2.gz PDDFUWDCVCSORY-NSHDSACASA-N -1 1 397.220 1.753 20 0 GDADMM CN(C)CCCN(C(=O)c1cc(F)c([O-])c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000272611581 532107188 /nfs/dbraw/zinc/10/71/88/532107188.db2.gz OAPXLYCMZORUMK-GFCCVEGCSA-N -1 1 376.425 1.251 20 0 GDADMM Cc1cc(F)c(S(=O)(=O)[N-][C@H](C(=O)N2CCOCC2)C(C)C)c(F)c1 ZINC000425163272 532120653 /nfs/dbraw/zinc/12/06/53/532120653.db2.gz CFHFSTRCKJVMRI-AWEZNQCLSA-N -1 1 376.425 1.435 20 0 GDADMM Cc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)c(F)c1 ZINC000425241153 532132208 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Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(S(=O)(=O)N(C)C)c1N ZINC000430975094 532258122 /nfs/dbraw/zinc/25/81/22/532258122.db2.gz IQALTVJBQSHFCG-UHFFFAOYSA-N -1 1 387.458 1.767 20 0 GDADMM O=C(CCCc1ccccc1Br)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000378165568 532281904 /nfs/dbraw/zinc/28/19/04/532281904.db2.gz ZXQIOGFEIOEHEV-CYBMUJFWSA-N -1 1 380.246 1.885 20 0 GDADMM O=S(=O)(CCCS(=O)(=O)N1CCCCO1)[N-]c1cc(C2CC2)ccn1 ZINC000349453982 532288133 /nfs/dbraw/zinc/28/81/33/532288133.db2.gz BEHUULNBPVGLMG-UHFFFAOYSA-N -1 1 389.499 1.448 20 0 GDADMM O=C(CNC(=O)c1ccc(I)c([O-])c1)NCC(F)F ZINC000393779115 532300997 /nfs/dbraw/zinc/30/09/97/532300997.db2.gz QPYPQNOUIPTXFO-UHFFFAOYSA-N -1 1 384.120 1.108 20 0 GDADMM O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1nc(Br)ccc1[O-] ZINC000275783086 532309951 /nfs/dbraw/zinc/30/99/51/532309951.db2.gz FQJVQLULCQUCQA-IUCAKERBSA-N -1 1 382.214 1.663 20 0 GDADMM CCN(C(=O)[C@@H](C)Sc1nc(C2CC2)cc(=O)[n-]1)[C@H]1CCS(=O)(=O)C1 ZINC000276333636 532327254 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GDADMM COC(=O)NCCCC(=O)OCc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000736938887 598846605 /nfs/dbraw/zinc/84/66/05/598846605.db2.gz WKBQWGSVCQVDBM-UHFFFAOYSA-N -1 1 399.411 1.540 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCc2c(Cl)cccc2C1 ZINC000738355303 598876678 /nfs/dbraw/zinc/87/66/78/598876678.db2.gz OCOWZIIXAMUNLR-UHFFFAOYSA-N -1 1 376.829 1.662 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCc2c(Cl)cccc2C1 ZINC000738355303 598876680 /nfs/dbraw/zinc/87/66/80/598876680.db2.gz OCOWZIIXAMUNLR-UHFFFAOYSA-N -1 1 376.829 1.662 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC[C@H](C)Oc2ccccc2)cc1-c1nn[n-]n1 ZINC000737186994 598878729 /nfs/dbraw/zinc/87/87/29/598878729.db2.gz NITYWBZAOZPYBO-JTQLQIEISA-N -1 1 386.437 1.887 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@@H](O)c1ccsc1 ZINC000737201827 598891787 /nfs/dbraw/zinc/89/17/87/598891787.db2.gz WSXNVVFISLRVIT-CYBMUJFWSA-N -1 1 388.453 1.428 20 0 GDADMM O=C(c1ccccc1)N1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000738279990 598935818 /nfs/dbraw/zinc/93/58/18/598935818.db2.gz ZIIPRDXACABBBL-UHFFFAOYSA-N -1 1 386.419 1.772 20 0 GDADMM O=C(c1ccccc1)N1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000738279990 598935819 /nfs/dbraw/zinc/93/58/19/598935819.db2.gz ZIIPRDXACABBBL-UHFFFAOYSA-N -1 1 386.419 1.772 20 0 GDADMM O=C1OCCN1c1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000738318634 598948459 /nfs/dbraw/zinc/94/84/59/598948459.db2.gz LLEKBYXTMZYDNT-UHFFFAOYSA-N -1 1 386.393 1.624 20 0 GDADMM CCn1cnnc1[C@@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000736722666 598963365 /nfs/dbraw/zinc/96/33/65/598963365.db2.gz QMQWCHNSCRHMRI-GFCCVEGCSA-N -1 1 376.428 1.805 20 0 GDADMM CCn1cnnc1[C@@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000736722666 598963367 /nfs/dbraw/zinc/96/33/67/598963367.db2.gz QMQWCHNSCRHMRI-GFCCVEGCSA-N -1 1 376.428 1.805 20 0 GDADMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cccc(-c4nn[nH]n4)c3C)ccc21 ZINC000819796048 607255558 /nfs/dbraw/zinc/25/55/58/607255558.db2.gz AIGOPBTYOPDGDG-UHFFFAOYSA-N -1 1 398.448 1.885 20 0 GDADMM Cc1nc(C[C@H]2CCCN(c3c4ccccc4nnc3-c3nnn[n-]3)C2)no1 ZINC000737471559 598963822 /nfs/dbraw/zinc/96/38/22/598963822.db2.gz JNMFVHRGMVMYCG-GFCCVEGCSA-N -1 1 377.412 1.960 20 0 GDADMM Cc1nc(C[C@H]2CCCN(c3c4ccccc4nnc3-c3nn[n-]n3)C2)no1 ZINC000737471559 598963823 /nfs/dbraw/zinc/96/38/23/598963823.db2.gz JNMFVHRGMVMYCG-GFCCVEGCSA-N -1 1 377.412 1.960 20 0 GDADMM O=C(NN1CCOCC1)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000738129545 598972008 /nfs/dbraw/zinc/97/20/08/598972008.db2.gz UOVKQLGXEIKSEE-UHFFFAOYSA-N -1 1 384.371 1.775 20 0 GDADMM O=C(NN1CCOCC1)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000738129545 598972010 /nfs/dbraw/zinc/97/20/10/598972010.db2.gz UOVKQLGXEIKSEE-UHFFFAOYSA-N -1 1 384.371 1.775 20 0 GDADMM CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736828868 598984607 /nfs/dbraw/zinc/98/46/07/598984607.db2.gz RHJKDLALYQDLEH-UHFFFAOYSA-N -1 1 379.424 1.371 20 0 GDADMM CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736828868 598984609 /nfs/dbraw/zinc/98/46/09/598984609.db2.gz RHJKDLALYQDLEH-UHFFFAOYSA-N -1 1 379.424 1.371 20 0 GDADMM Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737321315 598986883 /nfs/dbraw/zinc/98/68/83/598986883.db2.gz SVMVJVUKEVQXKR-GOSISDBHSA-N -1 1 393.451 1.373 20 0 GDADMM Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737321315 598986884 /nfs/dbraw/zinc/98/68/84/598986884.db2.gz SVMVJVUKEVQXKR-GOSISDBHSA-N -1 1 393.451 1.373 20 0 GDADMM O=C(NCc1cccc(NC(=O)C2CCC2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738116708 598990285 /nfs/dbraw/zinc/99/02/85/598990285.db2.gz LUARLAZRKPOYDV-UHFFFAOYSA-N -1 1 377.408 1.930 20 0 GDADMM O=C(NCc1cccc(NC(=O)C2CCC2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738116708 598990287 /nfs/dbraw/zinc/99/02/87/598990287.db2.gz LUARLAZRKPOYDV-UHFFFAOYSA-N -1 1 377.408 1.930 20 0 GDADMM C[C@H]1COC[C@H](C)N1CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000736293005 598992779 /nfs/dbraw/zinc/99/27/79/598992779.db2.gz MYRWBKUBUKGRPJ-STQMWFEESA-N -1 1 382.428 1.100 20 0 GDADMM C[C@H]1COC[C@H](C)N1CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736293005 598992781 /nfs/dbraw/zinc/99/27/81/598992781.db2.gz MYRWBKUBUKGRPJ-STQMWFEESA-N -1 1 382.428 1.100 20 0 GDADMM O=C(NC1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1)Oc1ccccc1 ZINC000738026805 599002216 /nfs/dbraw/zinc/00/22/16/599002216.db2.gz VJUQVGMSXRGGCX-UHFFFAOYSA-N -1 1 393.407 1.655 20 0 GDADMM O=C(NC1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1)Oc1ccccc1 ZINC000738026805 599002218 /nfs/dbraw/zinc/00/22/18/599002218.db2.gz VJUQVGMSXRGGCX-UHFFFAOYSA-N -1 1 393.407 1.655 20 0 GDADMM CCOC(=O)[C@@]1(NC(=O)c2ccc(-c3nnn[n-]3)nc2)CCc2ccccc21 ZINC000736590164 599007708 /nfs/dbraw/zinc/00/77/08/599007708.db2.gz GEEBCLJUEUDKPJ-LJQANCHMSA-N -1 1 378.392 1.396 20 0 GDADMM CCOC(=O)[C@@]1(NC(=O)c2ccc(-c3nn[n-]n3)nc2)CCc2ccccc21 ZINC000736590164 599007710 /nfs/dbraw/zinc/00/77/10/599007710.db2.gz GEEBCLJUEUDKPJ-LJQANCHMSA-N -1 1 378.392 1.396 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000738258723 599021749 /nfs/dbraw/zinc/02/17/49/599021749.db2.gz MAZQEFZUEDRBOY-CYBMUJFWSA-N -1 1 375.396 1.324 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000738258723 599021751 /nfs/dbraw/zinc/02/17/51/599021751.db2.gz MAZQEFZUEDRBOY-CYBMUJFWSA-N -1 1 375.396 1.324 20 0 GDADMM CCCCCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736448416 599026825 /nfs/dbraw/zinc/02/68/25/599026825.db2.gz XSVVBZSDNOEVSV-OAHLLOKOSA-N -1 1 385.472 1.810 20 0 GDADMM CCCCCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736448416 599026827 /nfs/dbraw/zinc/02/68/27/599026827.db2.gz XSVVBZSDNOEVSV-OAHLLOKOSA-N -1 1 385.472 1.810 20 0 GDADMM O=C(CCCNC(=O)c1ccc(-c2nnn[n-]2)nc1)N1CCc2ccccc21 ZINC000738055654 599031761 /nfs/dbraw/zinc/03/17/61/599031761.db2.gz OLXWDRGCVVLZJD-UHFFFAOYSA-N -1 1 377.408 1.361 20 0 GDADMM O=C(CCCNC(=O)c1ccc(-c2nn[n-]n2)nc1)N1CCc2ccccc21 ZINC000738055654 599031763 /nfs/dbraw/zinc/03/17/63/599031763.db2.gz OLXWDRGCVVLZJD-UHFFFAOYSA-N -1 1 377.408 1.361 20 0 GDADMM CCO[C@@H](C)c1noc(CN2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)n1 ZINC000821346912 599080474 /nfs/dbraw/zinc/08/04/74/599080474.db2.gz RJBMYKZTRALNGU-LBPRGKRZSA-N -1 1 385.432 1.064 20 0 GDADMM CCO[C@@H](C)c1noc(CN2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)n1 ZINC000821346912 599080476 /nfs/dbraw/zinc/08/04/76/599080476.db2.gz RJBMYKZTRALNGU-LBPRGKRZSA-N -1 1 385.432 1.064 20 0 GDADMM COc1ccc(C)cc1NC(=O)[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737077239 599138973 /nfs/dbraw/zinc/13/89/73/599138973.db2.gz QEZIYNMASYNFIT-LLVKDONJSA-N -1 1 382.380 1.763 20 0 GDADMM COc1ccc(C)cc1NC(=O)[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737077239 599138975 /nfs/dbraw/zinc/13/89/75/599138975.db2.gz QEZIYNMASYNFIT-LLVKDONJSA-N -1 1 382.380 1.763 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCOC[C@H]1c1ccco1 ZINC000737201061 599197298 /nfs/dbraw/zinc/19/72/98/599197298.db2.gz PYQZCQRMNHJBDF-AWEZNQCLSA-N -1 1 398.423 1.710 20 0 GDADMM C[S@](=O)CCNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000737174613 599200038 /nfs/dbraw/zinc/20/00/38/599200038.db2.gz WCHQZLTWLTWMDE-MHZLTWQESA-N -1 1 389.412 1.906 20 0 GDADMM C[S@](=O)CCNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000737174613 599200040 /nfs/dbraw/zinc/20/00/40/599200040.db2.gz WCHQZLTWLTWMDE-MHZLTWQESA-N -1 1 389.412 1.906 20 0 GDADMM COc1ccccc1-c1noc([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC000821883709 599215095 /nfs/dbraw/zinc/21/50/95/599215095.db2.gz ZXMNKZRYMYWLRW-SNVBAGLBSA-N -1 1 392.379 1.811 20 0 GDADMM COc1ccccc1-c1noc([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC000821883709 599215098 /nfs/dbraw/zinc/21/50/98/599215098.db2.gz ZXMNKZRYMYWLRW-SNVBAGLBSA-N -1 1 392.379 1.811 20 0 GDADMM COc1cccc(N2CCC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)nc3)C2)c1 ZINC000737139666 599226367 /nfs/dbraw/zinc/22/63/67/599226367.db2.gz NGJKSHXVCUHCSK-CQSZACIVSA-N -1 1 379.424 1.669 20 0 GDADMM COc1cccc(N2CCC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)nc3)C2)c1 ZINC000737139666 599226369 /nfs/dbraw/zinc/22/63/69/599226369.db2.gz NGJKSHXVCUHCSK-CQSZACIVSA-N -1 1 379.424 1.669 20 0 GDADMM COC(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000736939129 599229213 /nfs/dbraw/zinc/22/92/13/599229213.db2.gz JMLGJDQOYUUZNG-UHFFFAOYSA-N -1 1 388.409 1.524 20 0 GDADMM CN1CC[C@@H](NC(=O)C(=O)Nc2ccccc2CC(=O)[O-])[C@H]1c1ccccc1 ZINC000820620186 597421252 /nfs/dbraw/zinc/42/12/52/597421252.db2.gz IQUDXPGEMSFLAT-IEBWSBKVSA-N -1 1 381.432 1.814 20 0 GDADMM COc1cc2c(c(OC)c1OC)CCN(c1cccc(-c3nnn[n-]3)n1)CC2 ZINC000821727815 607307301 /nfs/dbraw/zinc/30/73/01/607307301.db2.gz OJDCQKTVOJGKTI-UHFFFAOYSA-N -1 1 382.424 1.893 20 0 GDADMM COc1cc2c(c(OC)c1OC)CCN(c1cccc(-c3nn[n-]n3)n1)CC2 ZINC000821727815 607307302 /nfs/dbraw/zinc/30/73/02/607307302.db2.gz OJDCQKTVOJGKTI-UHFFFAOYSA-N -1 1 382.424 1.893 20 0 GDADMM CC[C@H](CO)NC(=O)Cc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000820908283 607317429 /nfs/dbraw/zinc/31/74/29/607317429.db2.gz KBDREVWPYXBILA-CYBMUJFWSA-N -1 1 386.481 1.970 20 0 GDADMM COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1ccc(-c2nn[nH]n2)cc1F ZINC000821667034 607328039 /nfs/dbraw/zinc/32/80/39/607328039.db2.gz RBELUWRVIIQCQC-UHFFFAOYSA-N -1 1 391.384 1.902 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1Cc2ccccc2C(F)(F)C1 ZINC000823600301 607332330 /nfs/dbraw/zinc/33/23/30/607332330.db2.gz FRJJTSASIMTCMS-UHFFFAOYSA-N -1 1 378.364 1.558 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1Cc2ccccc2C(F)(F)C1 ZINC000823600301 607332331 /nfs/dbraw/zinc/33/23/31/607332331.db2.gz FRJJTSASIMTCMS-UHFFFAOYSA-N -1 1 378.364 1.558 20 0 GDADMM O=C([O-])c1ccccc1NC(=O)C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000821475449 598173636 /nfs/dbraw/zinc/17/36/36/598173636.db2.gz WBEXYVXFAHGSMU-UHFFFAOYSA-N -1 1 382.420 1.499 20 0 GDADMM O=C([O-])[C@H]1CCN(Cn2c(=O)oc3cc(I)ccc32)C1 ZINC000821511244 598201950 /nfs/dbraw/zinc/20/19/50/598201950.db2.gz QZOHPNRIKKHNMD-QMMMGPOBSA-N -1 1 388.161 1.563 20 0 GDADMM CC(=O)N1CCC(CNC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)CC1 ZINC000735460896 598241739 /nfs/dbraw/zinc/24/17/39/598241739.db2.gz OGGNEDMTBKMXEF-UHFFFAOYSA-N -1 1 397.439 1.547 20 0 GDADMM CC(=O)N1CCC(CNC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)CC1 ZINC000735460896 598241741 /nfs/dbraw/zinc/24/17/41/598241741.db2.gz OGGNEDMTBKMXEF-UHFFFAOYSA-N -1 1 397.439 1.547 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCc1cccc(CO)c1 ZINC000737549796 598262714 /nfs/dbraw/zinc/26/27/14/598262714.db2.gz YTCZUZLGCRDYNR-UHFFFAOYSA-N -1 1 378.392 1.981 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCc1cccc(CO)c1 ZINC000737549796 598262715 /nfs/dbraw/zinc/26/27/15/598262715.db2.gz YTCZUZLGCRDYNR-UHFFFAOYSA-N -1 1 378.392 1.981 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCCN(c2ccccc2)CC1 ZINC000738352843 598268198 /nfs/dbraw/zinc/26/81/98/598268198.db2.gz AYSYLEBOAGKRME-UHFFFAOYSA-N -1 1 385.453 1.163 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCCN(c2ccccc2)CC1 ZINC000738352843 598268200 /nfs/dbraw/zinc/26/82/00/598268200.db2.gz AYSYLEBOAGKRME-UHFFFAOYSA-N -1 1 385.453 1.163 20 0 GDADMM C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2Oc2ncccc2-c2nn[n-]n2)C1 ZINC000736278234 598304684 /nfs/dbraw/zinc/30/46/84/598304684.db2.gz PUTTXDXLONHWHN-GFCCVEGCSA-N -1 1 393.407 1.861 20 0 GDADMM Cc1ccn(CC(=O)Nc2ccc(OC(F)(F)F)cc2)c(=O)c1-c1nn[n-]n1 ZINC000822369130 607349901 /nfs/dbraw/zinc/34/99/01/607349901.db2.gz BFGAESZYBFRWJG-UHFFFAOYSA-N -1 1 394.313 1.874 20 0 GDADMM O=C(c1ccc(Cl)cc1)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000738258054 598347452 /nfs/dbraw/zinc/34/74/52/598347452.db2.gz LXEWVDFXKRXHRR-UHFFFAOYSA-N -1 1 384.831 1.663 20 0 GDADMM O=C(c1ccc(Cl)cc1)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000738258054 598347454 /nfs/dbraw/zinc/34/74/54/598347454.db2.gz LXEWVDFXKRXHRR-UHFFFAOYSA-N -1 1 384.831 1.663 20 0 GDADMM CCc1nn(C[C@H](O)COc2cccc(C)c2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705004 598374269 /nfs/dbraw/zinc/37/42/69/598374269.db2.gz BRQWQVBPIAFSHV-ZDUSSCGKSA-N -1 1 384.440 1.297 20 0 GDADMM CCc1nn(CCC(=O)Nc2ccccc2F)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705840 598374276 /nfs/dbraw/zinc/37/42/76/598374276.db2.gz PTTVGFPWHLSQLI-UHFFFAOYSA-N -1 1 385.403 1.716 20 0 GDADMM c1cc(Nc2cnc(-c3nnn[n-]3)cn2)cc2sc(N3CCOCC3)nc12 ZINC000738422353 598386090 /nfs/dbraw/zinc/38/60/90/598386090.db2.gz WZKQNCXBQYPUEQ-UHFFFAOYSA-N -1 1 381.425 1.847 20 0 GDADMM c1cc(Nc2cnc(-c3nn[n-]n3)cn2)cc2sc(N3CCOCC3)nc12 ZINC000738422353 598386092 /nfs/dbraw/zinc/38/60/92/598386092.db2.gz WZKQNCXBQYPUEQ-UHFFFAOYSA-N -1 1 381.425 1.847 20 0 GDADMM CN1C[C@@H](NC(=O)c2ccc(Oc3cccc(F)c3-c3nnn[n-]3)cc2)CC1=O ZINC000736846526 598401960 /nfs/dbraw/zinc/40/19/60/598401960.db2.gz RENMDLOXDRTMAC-LBPRGKRZSA-N -1 1 396.382 1.759 20 0 GDADMM CN1C[C@@H](NC(=O)c2ccc(Oc3cccc(F)c3-c3nn[n-]n3)cc2)CC1=O ZINC000736846526 598401961 /nfs/dbraw/zinc/40/19/61/598401961.db2.gz RENMDLOXDRTMAC-LBPRGKRZSA-N -1 1 396.382 1.759 20 0 GDADMM O=C(NCCn1cncn1)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000738095218 598402587 /nfs/dbraw/zinc/40/25/87/598402587.db2.gz RKEDJRLGWNYHFX-UHFFFAOYSA-N -1 1 394.370 1.820 20 0 GDADMM O=C(NCCn1cncn1)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000738095218 598402589 /nfs/dbraw/zinc/40/25/89/598402589.db2.gz RKEDJRLGWNYHFX-UHFFFAOYSA-N -1 1 394.370 1.820 20 0 GDADMM Cc1nc(C)c([C@@H](C)N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)s1 ZINC000737474522 598409528 /nfs/dbraw/zinc/40/95/28/598409528.db2.gz RVOPBSHYWADRAS-SECBINFHSA-N -1 1 379.471 1.717 20 0 GDADMM Cc1nc(C)c([C@@H](C)N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)s1 ZINC000737474522 598409530 /nfs/dbraw/zinc/40/95/30/598409530.db2.gz RVOPBSHYWADRAS-SECBINFHSA-N -1 1 379.471 1.717 20 0 GDADMM CCn1c(Cn2cc(C(=O)OC)cc(-c3nn[n-]n3)c2=O)nc2cc(F)ccc21 ZINC000736714334 598440187 /nfs/dbraw/zinc/44/01/87/598440187.db2.gz QTSWWFXEEFWWDX-UHFFFAOYSA-N -1 1 397.370 1.372 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@@H](c3ccccc3)CC2)n(C)c1=O ZINC000737595064 598459283 /nfs/dbraw/zinc/45/92/83/598459283.db2.gz DYDNBKPLZKPJHP-CQSZACIVSA-N -1 1 381.440 1.038 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCO[C@H](c2ccccc2F)C1 ZINC000738354653 598465277 /nfs/dbraw/zinc/46/52/77/598465277.db2.gz JANJBSQRADZCHK-HNNXBMFYSA-N -1 1 390.400 1.163 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCO[C@H](c2ccccc2F)C1 ZINC000738354653 598465279 /nfs/dbraw/zinc/46/52/79/598465279.db2.gz JANJBSQRADZCHK-HNNXBMFYSA-N -1 1 390.400 1.163 20 0 GDADMM COC(=O)[C@@H]1C[C@@H]1C(=O)OCc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000736910622 598474489 /nfs/dbraw/zinc/47/44/89/598474489.db2.gz PWGRSPJHEQDZAV-OLZOCXBDSA-N -1 1 382.380 1.213 20 0 GDADMM O=C(COC(=O)C1=COCCC1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000737906477 598475676 /nfs/dbraw/zinc/47/56/76/598475676.db2.gz FGBJWNCGCIUVHF-UHFFFAOYSA-N -1 1 395.379 1.228 20 0 GDADMM O=C(COC(=O)C1=COCCC1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737906477 598475678 /nfs/dbraw/zinc/47/56/78/598475678.db2.gz FGBJWNCGCIUVHF-UHFFFAOYSA-N -1 1 395.379 1.228 20 0 GDADMM Cc1ncccc1C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000737500183 598496557 /nfs/dbraw/zinc/49/65/57/598496557.db2.gz DGKGFBQSPARJIN-UHFFFAOYSA-N -1 1 380.412 1.398 20 0 GDADMM Cc1ccc2nc(Cn3cc(-c4nn[n-]n4)c(=O)c4ccccc43)cc(=O)n2c1 ZINC000737375290 598502832 /nfs/dbraw/zinc/50/28/32/598502832.db2.gz TWTYGEWASFYUSV-UHFFFAOYSA-N -1 1 385.387 1.546 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC(Oc2ccncc2)C1 ZINC000737546077 598505908 /nfs/dbraw/zinc/50/59/08/598505908.db2.gz CCZSGTJRNKTURM-UHFFFAOYSA-N -1 1 391.391 1.857 20 0 GDADMM CN(C[C@H]1CCCN1c1cccnn1)c1snc(Cl)c1-c1nnn[n-]1 ZINC000736795600 598544460 /nfs/dbraw/zinc/54/44/60/598544460.db2.gz WIQDVLWLSOSLQH-SECBINFHSA-N -1 1 377.865 1.872 20 0 GDADMM CN(C[C@H]1CCCN1c1cccnn1)c1snc(Cl)c1-c1nn[n-]n1 ZINC000736795600 598544462 /nfs/dbraw/zinc/54/44/62/598544462.db2.gz WIQDVLWLSOSLQH-SECBINFHSA-N -1 1 377.865 1.872 20 0 GDADMM Cc1noc([C@H](C)N2CCN(c3snc(Cl)c3-c3nnn[n-]3)CC2)n1 ZINC000737534506 598545494 /nfs/dbraw/zinc/54/54/94/598545494.db2.gz OVOURMMFZKIIAG-ZETCQYMHSA-N -1 1 381.853 1.551 20 0 GDADMM Cc1noc([C@H](C)N2CCN(c3snc(Cl)c3-c3nn[n-]n3)CC2)n1 ZINC000737534506 598545495 /nfs/dbraw/zinc/54/54/95/598545495.db2.gz OVOURMMFZKIIAG-ZETCQYMHSA-N -1 1 381.853 1.551 20 0 GDADMM O=C1OC(c2cccc(Cl)c2)=NC1=Cc1cnc2c(-c3nnn[n-]3)cnn2c1 ZINC000738318595 598567451 /nfs/dbraw/zinc/56/74/51/598567451.db2.gz LBARPXMCYCDMEH-PQMHYQBVSA-N -1 1 392.766 1.907 20 0 GDADMM O=C1OC(c2cccc(Cl)c2)=NC1=Cc1cnc2c(-c3nn[n-]n3)cnn2c1 ZINC000738318595 598567453 /nfs/dbraw/zinc/56/74/53/598567453.db2.gz LBARPXMCYCDMEH-PQMHYQBVSA-N -1 1 392.766 1.907 20 0 GDADMM O=C(Cc1ccccc1)N1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000737967921 598575901 /nfs/dbraw/zinc/57/59/01/598575901.db2.gz AXOIYAFDPPMOKQ-UHFFFAOYSA-N -1 1 383.843 1.806 20 0 GDADMM O=C(Cc1ccccc1)N1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000737967921 598575903 /nfs/dbraw/zinc/57/59/03/598575903.db2.gz AXOIYAFDPPMOKQ-UHFFFAOYSA-N -1 1 383.843 1.806 20 0 GDADMM COC(=O)Cc1cccc(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000736930711 598581420 /nfs/dbraw/zinc/58/14/20/598581420.db2.gz KAZUCSUANHUSPA-UHFFFAOYSA-N -1 1 392.368 1.489 20 0 GDADMM Cc1nc(C)c(-c2nn[n-]n2)c(SCC(=O)NCC(=O)c2cccs2)n1 ZINC000737471437 598584950 /nfs/dbraw/zinc/58/49/50/598584950.db2.gz QLZRGDMRPQLFBJ-UHFFFAOYSA-N -1 1 389.466 1.426 20 0 GDADMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1)c1ccccc1 ZINC000736898737 598693106 /nfs/dbraw/zinc/69/31/06/598693106.db2.gz SAIABYDKEQJWHU-CQSZACIVSA-N -1 1 391.384 1.198 20 0 GDADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21)NC1CCOCC1 ZINC000737980393 598721911 /nfs/dbraw/zinc/72/19/11/598721911.db2.gz DXOJLMOYAKDVQA-UHFFFAOYSA-N -1 1 388.815 1.130 20 0 GDADMM COC[C@H](C)C(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000736967467 598750304 /nfs/dbraw/zinc/75/03/04/598750304.db2.gz KQQLDHKHJFVFAW-NSHDSACASA-N -1 1 387.400 1.046 20 0 GDADMM Cc1oc(NC(=O)COC(=O)/C=C/C2CCOCC2)c(-c2nn[n-]n2)c1C ZINC000737552432 598758893 /nfs/dbraw/zinc/75/88/93/598758893.db2.gz QCWQYOSGVXDJIW-ONEGZZNKSA-N -1 1 375.385 1.541 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H](C)c1nnc2n1CCC2 ZINC000737546813 598810788 /nfs/dbraw/zinc/81/07/88/598810788.db2.gz GIYFSMNFLCASRU-JTQLQIEISA-N -1 1 393.411 1.588 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H](C)c1nnc2n1CCC2 ZINC000737546813 598810789 /nfs/dbraw/zinc/81/07/89/598810789.db2.gz GIYFSMNFLCASRU-JTQLQIEISA-N -1 1 393.411 1.588 20 0 GDADMM C[C@H](c1ccc(Cl)cc1)N(C)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736200514 598814235 /nfs/dbraw/zinc/81/42/35/598814235.db2.gz UARDCPHEXYWRNM-SECBINFHSA-N -1 1 375.820 1.115 20 0 GDADMM CCc1nc(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)sc1C ZINC000821509681 599297607 /nfs/dbraw/zinc/29/76/07/599297607.db2.gz LCGVYLXXPLCTDA-UHFFFAOYSA-N -1 1 376.450 1.254 20 0 GDADMM CCc1nc(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)sc1C ZINC000821509681 599297608 /nfs/dbraw/zinc/29/76/08/599297608.db2.gz LCGVYLXXPLCTDA-UHFFFAOYSA-N -1 1 376.450 1.254 20 0 GDADMM Cc1ccc(C(=O)n2ncc(-c3nn[n-]n3)c2N)cc1NC(=O)OC(C)(C)C ZINC000822227572 599318941 /nfs/dbraw/zinc/31/89/41/599318941.db2.gz NKPDGXNNIHKQJZ-UHFFFAOYSA-N -1 1 384.400 1.989 20 0 GDADMM Cc1ccc(N2CCC[C@H](N(C)C(=O)c3ccc(-c4nnn[n-]4)nc3)C2)nn1 ZINC000737353264 599386247 /nfs/dbraw/zinc/38/62/47/599386247.db2.gz UMQBPCURVYLBJM-AWEZNQCLSA-N -1 1 379.428 1.101 20 0 GDADMM Cc1ccc(N2CCC[C@H](N(C)C(=O)c3ccc(-c4nn[n-]n4)nc3)C2)nn1 ZINC000737353264 599386250 /nfs/dbraw/zinc/38/62/50/599386250.db2.gz UMQBPCURVYLBJM-AWEZNQCLSA-N -1 1 379.428 1.101 20 0 GDADMM CCN(CC)S(=O)(=O)c1ccc(CNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000736533291 599396166 /nfs/dbraw/zinc/39/61/66/599396166.db2.gz XUSZJGFIKBIODV-UHFFFAOYSA-N -1 1 387.469 1.904 20 0 GDADMM CCN(CC)S(=O)(=O)c1ccc(CNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000736533291 599396169 /nfs/dbraw/zinc/39/61/69/599396169.db2.gz XUSZJGFIKBIODV-UHFFFAOYSA-N -1 1 387.469 1.904 20 0 GDADMM C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1cccc(-c2nnn[n-]2)n1 ZINC000736226378 599398666 /nfs/dbraw/zinc/39/86/66/599398666.db2.gz WQLVVTWSEHQSRX-LBPRGKRZSA-N -1 1 392.423 1.462 20 0 GDADMM C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1cccc(-c2nn[n-]n2)n1 ZINC000736226378 599398670 /nfs/dbraw/zinc/39/86/70/599398670.db2.gz WQLVVTWSEHQSRX-LBPRGKRZSA-N -1 1 392.423 1.462 20 0 GDADMM CC(C)N(C)S(=O)(=O)c1ccc(CNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000735859539 599415939 /nfs/dbraw/zinc/41/59/39/599415939.db2.gz VVMMDYISCIGYNS-UHFFFAOYSA-N -1 1 387.469 1.903 20 0 GDADMM CC(C)N(C)S(=O)(=O)c1ccc(CNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000735859539 599415941 /nfs/dbraw/zinc/41/59/41/599415941.db2.gz VVMMDYISCIGYNS-UHFFFAOYSA-N -1 1 387.469 1.903 20 0 GDADMM Cc1ccccc1OCC(=O)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000737437525 599434613 /nfs/dbraw/zinc/43/46/13/599434613.db2.gz VZMKYLVKIUHXPH-UHFFFAOYSA-N -1 1 379.424 1.298 20 0 GDADMM Cc1ccccc1OCC(=O)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000737437525 599434614 /nfs/dbraw/zinc/43/46/14/599434614.db2.gz VZMKYLVKIUHXPH-UHFFFAOYSA-N -1 1 379.424 1.298 20 0 GDADMM O=C(N[C@H]1CCSC1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000823155456 599469530 /nfs/dbraw/zinc/46/95/30/599469530.db2.gz SSNVSZHZTIORHJ-NSHDSACASA-N -1 1 390.473 1.069 20 0 GDADMM CCOC(=O)c1cc(C)sc1NC(=O)Cn1cccc(-c2nn[n-]n2)c1=O ZINC000736601637 599474985 /nfs/dbraw/zinc/47/49/85/599474985.db2.gz BUKWZXXBQGLGDY-UHFFFAOYSA-N -1 1 388.409 1.214 20 0 GDADMM FC(F)C(F)(F)CN1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000737638578 599475737 /nfs/dbraw/zinc/47/57/37/599475737.db2.gz FKQMCTMBFHCBAH-UHFFFAOYSA-N -1 1 375.330 1.755 20 0 GDADMM NS(=O)(=O)Cc1cccc(CNc2cc(-c3nnn[n-]3)nc3ccccc32)c1 ZINC000822895828 599520152 /nfs/dbraw/zinc/52/01/52/599520152.db2.gz YVSCQIAGKVVLQR-UHFFFAOYSA-N -1 1 395.448 1.816 20 0 GDADMM NS(=O)(=O)Cc1cccc(CNc2cc(-c3nn[n-]n3)nc3ccccc32)c1 ZINC000822895828 599520155 /nfs/dbraw/zinc/52/01/55/599520155.db2.gz YVSCQIAGKVVLQR-UHFFFAOYSA-N -1 1 395.448 1.816 20 0 GDADMM Cc1cnn(C[C@@H]2CN(c3cc(-c4nnn[n-]4)nc4ccccc43)CCO2)c1 ZINC000822403445 599540243 /nfs/dbraw/zinc/54/02/43/599540243.db2.gz OGQVPXUWWVCVHR-AWEZNQCLSA-N -1 1 376.424 1.825 20 0 GDADMM Cc1cnn(C[C@@H]2CN(c3cc(-c4nn[n-]n4)nc4ccccc43)CCO2)c1 ZINC000822403445 599540245 /nfs/dbraw/zinc/54/02/45/599540245.db2.gz OGQVPXUWWVCVHR-AWEZNQCLSA-N -1 1 376.424 1.825 20 0 GDADMM Cn1ccnc1CN1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000822698947 599542626 /nfs/dbraw/zinc/54/26/26/599542626.db2.gz JHGKBUVSAMESJZ-UHFFFAOYSA-N -1 1 375.440 1.471 20 0 GDADMM CN(C(=O)c1ccc(-c2nnn[n-]2)nc1)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000736749223 599545178 /nfs/dbraw/zinc/54/51/78/599545178.db2.gz OCQOCNYQVZUMBI-KRWDZBQOSA-N -1 1 392.398 1.996 20 0 GDADMM CN(C(=O)c1ccc(-c2nn[n-]n2)nc1)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000736749223 599545179 /nfs/dbraw/zinc/54/51/79/599545179.db2.gz OCQOCNYQVZUMBI-KRWDZBQOSA-N -1 1 392.398 1.996 20 0 GDADMM Cc1cccc([C@@H]2CCCN2c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)c1C ZINC000822299852 599577528 /nfs/dbraw/zinc/57/75/28/599577528.db2.gz XBQOBRJOXZJEOB-AWEZNQCLSA-N -1 1 381.440 1.222 20 0 GDADMM COc1cc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cc(OC)c1Br ZINC000328348168 599778877 /nfs/dbraw/zinc/77/88/77/599778877.db2.gz PKVHMFOUIOYUIA-JTQLQIEISA-N -1 1 398.213 1.615 20 0 GDADMM CC(C)C(=O)NC[C@@H]1CCCN([C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000736347650 599784049 /nfs/dbraw/zinc/78/40/49/599784049.db2.gz VGDOJCHLWUEUME-WBVHZDCISA-N -1 1 389.496 1.874 20 0 GDADMM CN1CCN(C[C@H](NC(=O)N2CCC(CC(=O)[O-])CC2)c2ccccc2)CC1 ZINC000737526546 599789916 /nfs/dbraw/zinc/78/99/16/599789916.db2.gz SVBSBSNQPPZSPB-IBGZPJMESA-N -1 1 388.512 1.871 20 0 GDADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000738149477 599806689 /nfs/dbraw/zinc/80/66/89/599806689.db2.gz PFVBUKVYEDELKL-HNNXBMFYSA-N -1 1 393.403 1.822 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c(C(=O)[O-])s1 ZINC000737681657 599812592 /nfs/dbraw/zinc/81/25/92/599812592.db2.gz UFLDYLTZZUNWBU-UHFFFAOYSA-N -1 1 385.375 1.762 20 0 GDADMM CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)OCc2ccc(C(=O)[O-])o2)c1 ZINC000736164765 599817324 /nfs/dbraw/zinc/81/73/24/599817324.db2.gz DAISRGHXJCZYNP-UHFFFAOYSA-N -1 1 396.377 1.665 20 0 GDADMM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cccc(NC(=O)CO)c2)c1 ZINC000731179205 599826218 /nfs/dbraw/zinc/82/62/18/599826218.db2.gz XTLDMDCWLFDNOM-UHFFFAOYSA-N -1 1 384.797 1.770 20 0 GDADMM O=C([O-])c1cc(S(=O)(=O)NNc2c(F)c(F)nc(F)c2F)ccc1O ZINC000740087757 599851320 /nfs/dbraw/zinc/85/13/20/599851320.db2.gz MXIUJVOXCRHXSD-UHFFFAOYSA-N -1 1 381.263 1.347 20 0 GDADMM Cc1cncc(C=CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1 ZINC000822399352 607404486 /nfs/dbraw/zinc/40/44/86/607404486.db2.gz DTKDMZOKTUEPRJ-NQHOJNORSA-N -1 1 391.439 1.111 20 0 GDADMM Cc1cncc(C=CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1 ZINC000822399352 607404487 /nfs/dbraw/zinc/40/44/87/607404487.db2.gz DTKDMZOKTUEPRJ-NQHOJNORSA-N -1 1 391.439 1.111 20 0 GDADMM Cc1cccc(O[C@@H]2CCCC[C@@H]2NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000822328503 607410095 /nfs/dbraw/zinc/41/00/95/607410095.db2.gz RENYVVUYIARHOK-LSDHHAIUSA-N -1 1 382.428 1.273 20 0 GDADMM COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(C(N)=O)c(F)c2)c1 ZINC000737654957 599926615 /nfs/dbraw/zinc/92/66/15/599926615.db2.gz XPZPYMKHYGXJFQ-UHFFFAOYSA-N -1 1 396.352 1.210 20 0 GDADMM O=C(CCNC(=O)c1n[nH]c2ccccc21)NCCOc1ccc(C(=O)[O-])cc1 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ZINC000739469563 602399820 /nfs/dbraw/zinc/39/98/20/602399820.db2.gz RMPVBBKPPCHNSB-ARFHVFGLSA-N -1 1 383.489 1.498 20 0 GDADMM Cn1c(=O)c2ccc(C(=O)NC3(CNC(=O)[O-])CCCC3)cc2[nH]c1=S ZINC000740282591 602441844 /nfs/dbraw/zinc/44/18/44/602441844.db2.gz PTZLWHWOAVQQEK-UHFFFAOYSA-N -1 1 376.438 1.532 20 0 GDADMM CC(C)N(C)C(=O)C1CCN(C(=O)CN2CCC([C@@H](C)NC(=O)[O-])CC2)CC1 ZINC000739022815 602530696 /nfs/dbraw/zinc/53/06/96/602530696.db2.gz FMWSMUCQDRFVOB-OAHLLOKOSA-N -1 1 396.532 1.460 20 0 GDADMM CN(C[C@@H]1CCN(CC(=O)NCCc2cnn(-c3ccccc3)c2)C1)C(=O)[O-] ZINC000739661225 602531851 /nfs/dbraw/zinc/53/18/51/602531851.db2.gz OGFWAWGIBRKPPQ-KRWDZBQOSA-N -1 1 385.468 1.463 20 0 GDADMM CCOCCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825594985 607573244 /nfs/dbraw/zinc/57/32/44/607573244.db2.gz SRYJWQBZWLZXIR-UHFFFAOYSA-N -1 1 379.364 1.590 20 0 GDADMM COCCN1CC[C@H](NC(=O)C2(Nc3ccccc3)CCN(C(=O)[O-])CC2)C1 ZINC000739828091 602574816 /nfs/dbraw/zinc/57/48/16/602574816.db2.gz DMRQPINOAWIJDT-KRWDZBQOSA-N -1 1 390.484 1.448 20 0 GDADMM COc1ccc([C@@H](CNC(=O)N[C@H]2CCN(C(=O)[O-])C2)N(C)C)cc1OC ZINC000739895931 602585815 /nfs/dbraw/zinc/58/58/15/602585815.db2.gz XCYIXAWIHYSVDI-UONOGXRCSA-N -1 1 380.445 1.358 20 0 GDADMM O=C([O-])N1CCC[C@@H]1CNC(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000740427555 602598015 /nfs/dbraw/zinc/59/80/15/602598015.db2.gz JOXOLTCKBAFJKC-GOSISDBHSA-N -1 1 389.500 1.640 20 0 GDADMM COc1ccc([C@@H](CNC(=O)NC[C@H]2CCCN2C(=O)[O-])N(C)C)cc1OC ZINC000739891488 602605893 /nfs/dbraw/zinc/60/58/93/602605893.db2.gz CCPATRGDRMSZCX-HUUCEWRRSA-N -1 1 394.472 1.748 20 0 GDADMM COc1ccccc1[C@@H](CNC(=O)N[C@H]1CCN(C(=O)[O-])C1)N1CCCC1 ZINC000739964055 602612268 /nfs/dbraw/zinc/61/22/68/602612268.db2.gz OVZZCYLNIBCDOC-GOEBONIOSA-N -1 1 376.457 1.884 20 0 GDADMM COc1cccc([C@H](CNC(=O)NCC[C@@H]2CCN(C(=O)[O-])C2)N(C)C)c1 ZINC000739946630 602692592 /nfs/dbraw/zinc/69/25/92/602692592.db2.gz VZTHDPNWXBSTHI-PBHICJAKSA-N -1 1 378.473 1.987 20 0 GDADMM O=S(=O)(NCCCOCC(F)(F)F)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826490850 607586024 /nfs/dbraw/zinc/58/60/24/607586024.db2.gz JWEUVRIPRKDOEH-UHFFFAOYSA-N -1 1 383.327 1.253 20 0 GDADMM C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739177239 602762196 /nfs/dbraw/zinc/76/21/96/602762196.db2.gz OIEJACGKNHCFTI-KBXIAJHMSA-N -1 1 377.441 1.309 20 0 GDADMM COc1ccc(CNC(=O)[C@H](C)N2CC[C@H](NC(=O)[O-])[C@H](C)C2)cc1OC ZINC000739906160 602765569 /nfs/dbraw/zinc/76/55/69/602765569.db2.gz LEGXQXNPZFPKBM-IPYPFGDCSA-N -1 1 379.457 1.687 20 0 GDADMM COc1ccc(C=O)c(OS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000826190881 607585705 /nfs/dbraw/zinc/58/57/05/607585705.db2.gz PYPJYAQHRPZGMX-UHFFFAOYSA-N -1 1 378.341 1.595 20 0 GDADMM COc1ccc(C=O)c(OS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000826190881 607585707 /nfs/dbraw/zinc/58/57/07/607585707.db2.gz PYPJYAQHRPZGMX-UHFFFAOYSA-N -1 1 378.341 1.595 20 0 GDADMM Cn1ncc2c1CCC[C@H]2NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826366308 607585826 /nfs/dbraw/zinc/58/58/26/607585826.db2.gz BLTOJBCAICRUIL-LLVKDONJSA-N -1 1 377.405 1.095 20 0 GDADMM Cn1ncc2c1CCC[C@H]2NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826366308 607585827 /nfs/dbraw/zinc/58/58/27/607585827.db2.gz BLTOJBCAICRUIL-LLVKDONJSA-N -1 1 377.405 1.095 20 0 GDADMM COc1ccccc1[C@H](NC(=O)[O-])C(=O)NCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000739968699 602887766 /nfs/dbraw/zinc/88/77/66/602887766.db2.gz VIAPEBPDNIBSSM-ZQIUZPCESA-N -1 1 379.457 1.619 20 0 GDADMM CCC(=O)N1CCCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000825033953 607593848 /nfs/dbraw/zinc/59/38/48/607593848.db2.gz AQEKQKUTRDZIGO-UHFFFAOYSA-N -1 1 398.876 1.153 20 0 GDADMM CCC(=O)N1CCCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000825033953 607593850 /nfs/dbraw/zinc/59/38/50/607593850.db2.gz AQEKQKUTRDZIGO-UHFFFAOYSA-N -1 1 398.876 1.153 20 0 GDADMM O=S(=O)(NC1CCC2(CC1)OCCO2)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826488113 607591012 /nfs/dbraw/zinc/59/10/12/607591012.db2.gz ILAZFFDRAFPABV-UHFFFAOYSA-N -1 1 399.860 1.484 20 0 GDADMM O=S(=O)(NC1CCC2(CC1)OCCO2)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826488113 607591013 /nfs/dbraw/zinc/59/10/13/607591013.db2.gz ILAZFFDRAFPABV-UHFFFAOYSA-N -1 1 399.860 1.484 20 0 GDADMM COc1ccccc1[C@@H](NC(=O)[O-])C(=O)N1CC[C@@H](CN2CCOCC2)C1 ZINC000739963295 602970660 /nfs/dbraw/zinc/97/06/60/602970660.db2.gz JIGRVOSIIXESOH-WMLDXEAASA-N -1 1 377.441 1.185 20 0 GDADMM O=C([O-])N[C@@H](C(=O)N1CC[C@H](CN2CCOCC2)C1)c1cccc(Cl)c1 ZINC000740530238 602971299 /nfs/dbraw/zinc/97/12/99/602971299.db2.gz MZVWLYZIWPSUNN-CZUORRHYSA-N -1 1 381.860 1.829 20 0 GDADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N[C@H]1CCC[C@H]1CNC(=O)[O-] ZINC000740028131 602976341 /nfs/dbraw/zinc/97/63/41/602976341.db2.gz GUEYDQWTKPBKLN-AAEUAGOBSA-N -1 1 386.412 1.043 20 0 GDADMM O=S(=O)(NCc1ccccc1-n1cccn1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826491930 607601291 /nfs/dbraw/zinc/60/12/91/607601291.db2.gz KHOABARMESBIDU-UHFFFAOYSA-N -1 1 399.411 1.670 20 0 GDADMM O=S(=O)(NCc1ccccc1-n1cccn1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826491930 607601292 /nfs/dbraw/zinc/60/12/92/607601292.db2.gz KHOABARMESBIDU-UHFFFAOYSA-N -1 1 399.411 1.670 20 0 GDADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1)c1ccccc1 ZINC000826111336 607602506 /nfs/dbraw/zinc/60/25/06/607602506.db2.gz DBPYKNQAVPPLSP-AWEZNQCLSA-N -1 1 391.384 1.198 20 0 GDADMM Cc1c(CN2CCSCC2)cccc1NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000740046131 603075922 /nfs/dbraw/zinc/07/59/22/603075922.db2.gz BLPWCTOCPYIAAG-ZBFHGGJFSA-N -1 1 379.482 1.596 20 0 GDADMM CC[C@@H]1Nc2ccc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)cc2NC1=O ZINC000825219844 607605059 /nfs/dbraw/zinc/60/50/59/607605059.db2.gz MPVGFDOZJJAYTA-LBPRGKRZSA-N -1 1 379.380 1.761 20 0 GDADMM CC[C@@H]1Nc2ccc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)cc2NC1=O ZINC000825219844 607605061 /nfs/dbraw/zinc/60/50/61/607605061.db2.gz MPVGFDOZJJAYTA-LBPRGKRZSA-N -1 1 379.380 1.761 20 0 GDADMM CC(C)(C(=O)N1CCCN(Cc2ccccc2)CC1)N1CCN(C(=O)[O-])CC1 ZINC000738650195 603085702 /nfs/dbraw/zinc/08/57/02/603085702.db2.gz SAEBXCHZCSQHBB-UHFFFAOYSA-N -1 1 388.512 1.795 20 0 GDADMM CN(C(N)=O)c1ccc(OS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000825834164 607606413 /nfs/dbraw/zinc/60/64/13/607606413.db2.gz QNQUCZVVCCFZFD-UHFFFAOYSA-N -1 1 392.372 1.288 20 0 GDADMM CN(C(N)=O)c1ccc(OS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000825834164 607606414 /nfs/dbraw/zinc/60/64/14/607606414.db2.gz QNQUCZVVCCFZFD-UHFFFAOYSA-N -1 1 392.372 1.288 20 0 GDADMM O=C([O-])N1CCC[C@H](CCNC(=O)CCN2CCN(c3ccccn3)CC2)C1 ZINC000740356894 603095644 /nfs/dbraw/zinc/09/56/44/603095644.db2.gz KNQRMILYHUGDTC-QGZVFWFLSA-N -1 1 389.500 1.490 20 0 GDADMM CC(C)CN1CCO[C@@H](CNC(=O)C2(NC(=O)[O-])Cc3ccccc3C2)C1 ZINC000738826509 603108736 /nfs/dbraw/zinc/10/87/36/603108736.db2.gz YCLPGLPJJWBFLA-KRWDZBQOSA-N -1 1 375.469 1.265 20 0 GDADMM Cc1nn(C)cc1[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826334284 607607471 /nfs/dbraw/zinc/60/74/71/607607471.db2.gz OXACJHUUTPUMLV-SECBINFHSA-N -1 1 381.849 1.602 20 0 GDADMM C[C@@H]1CN(CCCNC(=O)C2(NC(=O)[O-])Cc3ccccc3C2)C[C@H](C)O1 ZINC000739183329 603111752 /nfs/dbraw/zinc/11/17/52/603111752.db2.gz RIDOCSGFGJTDMR-GASCZTMLSA-N -1 1 375.469 1.407 20 0 GDADMM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000739204976 603158512 /nfs/dbraw/zinc/15/85/12/603158512.db2.gz FDJYIACESJIINJ-PRHODGIISA-N -1 1 392.437 1.857 20 0 GDADMM C[C@H]1CN(C(=O)Nc2ccccc2N2CCN(C)CC2)CC[C@@H]1NC(=O)[O-] ZINC000739146007 603184397 /nfs/dbraw/zinc/18/43/97/603184397.db2.gz OSIUJYHUJBKTHE-GJZGRUSLSA-N -1 1 375.473 1.948 20 0 GDADMM Cc1nc(CN2CCN(C(=O)CC[C@@H](NC(=O)[O-])c3ccccc3)CC2)n[nH]1 ZINC000740218531 603226697 /nfs/dbraw/zinc/22/66/97/603226697.db2.gz IPQWMZIVWMUSMX-MRXNPFEDSA-N -1 1 386.456 1.546 20 0 GDADMM Cc1ccc([C@@H](O)CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826283794 607626787 /nfs/dbraw/zinc/62/67/87/607626787.db2.gz ASGCDSXBJAWKOA-ZDUSSCGKSA-N -1 1 377.401 1.326 20 0 GDADMM Cc1ccc([C@@H](O)CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826283794 607626788 /nfs/dbraw/zinc/62/67/88/607626788.db2.gz ASGCDSXBJAWKOA-ZDUSSCGKSA-N -1 1 377.401 1.326 20 0 GDADMM COc1cc2c(cc1OC)CN(C(=O)CN1CC[C@H](NC(=O)[O-])[C@H](C)C1)CC2 ZINC000739872889 603415956 /nfs/dbraw/zinc/41/59/56/603415956.db2.gz KTOZPDBKHIJRJB-CJNGLKHVSA-N -1 1 391.468 1.567 20 0 GDADMM COC(=O)[C@@]1(NC(=O)[C@H](C)CN(C)C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000828623844 603444814 /nfs/dbraw/zinc/44/48/14/603444814.db2.gz ICPOZOWOSKSBDY-FOIQADDNSA-N -1 1 391.468 1.556 20 0 GDADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N(C)C1CCC(NC(=O)[O-])CC1 ZINC000825459900 603470754 /nfs/dbraw/zinc/47/07/54/603470754.db2.gz SRECROGUHYHJRH-PNESKVBLSA-N -1 1 387.440 1.718 20 0 GDADMM COc1ccccc1[C@@H](NC(=O)[O-])C(=O)N1CCN(C2CCOCC2)CC1 ZINC000829603363 603476643 /nfs/dbraw/zinc/47/66/43/603476643.db2.gz HERSORGOHPVFHD-QGZVFWFLSA-N -1 1 377.441 1.327 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NOCc1cccnc1 ZINC000826327957 607634513 /nfs/dbraw/zinc/63/45/13/607634513.db2.gz AVOULZYBZCCUAV-UHFFFAOYSA-N -1 1 393.411 1.102 20 0 GDADMM C[C@@](O)(CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000824670110 607635339 /nfs/dbraw/zinc/63/53/39/607635339.db2.gz KHAGHPCTMLSOIB-MRXNPFEDSA-N -1 1 377.401 1.192 20 0 GDADMM C[C@@](O)(CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000824670110 607635340 /nfs/dbraw/zinc/63/53/40/607635340.db2.gz KHAGHPCTMLSOIB-MRXNPFEDSA-N -1 1 377.401 1.192 20 0 GDADMM O=C([O-])N[C@@H](CCC(=O)N1CCN(C[C@H]2CCOC2)CC1)c1ccccc1 ZINC000832121516 603584803 /nfs/dbraw/zinc/58/48/03/603584803.db2.gz WNPLKSTUJFZRMH-AEFFLSMTSA-N -1 1 375.469 1.956 20 0 GDADMM O=C([O-])NC[C@@H]1CCCC[C@@]12NC(=O)N(CN1CCC3(CCCC3)C1)C2=O ZINC000832500975 603609717 /nfs/dbraw/zinc/60/97/17/603609717.db2.gz ZYWFBXLVVRIDND-IFXJQAMLSA-N -1 1 378.473 1.958 20 0 GDADMM Cc1oc(NC(=O)CN2CCC[C@H]2C(=O)OC(C)(C)C)c(-c2nn[n-]n2)c1C ZINC000826341286 607641910 /nfs/dbraw/zinc/64/19/10/607641910.db2.gz CEUJOWLVHQKPEA-LBPRGKRZSA-N -1 1 390.444 1.821 20 0 GDADMM CCN1CCN(c2ccc(CNC(=O)N3CCC[C@H]3CNC(=O)[O-])cn2)CC1 ZINC000827229064 603699346 /nfs/dbraw/zinc/69/93/46/603699346.db2.gz SZAYFQFGTMISCI-INIZCTEOSA-N -1 1 390.488 1.165 20 0 GDADMM CCO[C@@H]1C[C@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C12CCC2 ZINC000825583483 607647031 /nfs/dbraw/zinc/64/70/31/607647031.db2.gz UVCFXTOVCYGJSA-QWHCGFSZSA-N -1 1 381.433 1.632 20 0 GDADMM CCO[C@@H]1C[C@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C12CCC2 ZINC000825583483 607647033 /nfs/dbraw/zinc/64/70/33/607647033.db2.gz UVCFXTOVCYGJSA-QWHCGFSZSA-N -1 1 381.433 1.632 20 0 GDADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCCN1C(=O)CCN1CCN(c2ccccn2)CC1 ZINC000825191710 603718486 /nfs/dbraw/zinc/71/84/86/603718486.db2.gz AKWPFGQHVAUZJT-SJORKVTESA-N -1 1 389.500 1.631 20 0 GDADMM C[C@H](NC(=O)CCN1CCN(c2ccccn2)CC1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000825116234 603728819 /nfs/dbraw/zinc/72/88/19/603728819.db2.gz ZKSJZWQFZMDIKP-IRXDYDNUSA-N -1 1 389.500 1.488 20 0 GDADMM CCc1nc([C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)no1 ZINC000825746226 607653253 /nfs/dbraw/zinc/65/32/53/607653253.db2.gz TYCNMZHZFKTLJL-JTQLQIEISA-N -1 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CC(C)CN1CCO[C@H](CNC(=O)NC[C@@H](NC(=O)[O-])c2ccccc2)C1 ZINC000824256021 603891490 /nfs/dbraw/zinc/89/14/90/603891490.db2.gz ABPYCZPDDFDAAT-IAGOWNOFSA-N -1 1 378.473 1.651 20 0 GDADMM O=C([O-])N1CCN(C(=O)[C@@H]2CCCN(CN3C(=O)[C@H]4CCCCC[C@@H]43)C2)CC1 ZINC000832018996 603907438 /nfs/dbraw/zinc/90/74/38/603907438.db2.gz UJZTUNJRZZRFBB-IKGGRYGDSA-N -1 1 392.500 1.269 20 0 GDADMM CCN(Cc1ccccc1NC(=O)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)C(=O)[O-] ZINC000827182449 603909005 /nfs/dbraw/zinc/90/90/05/603909005.db2.gz MIZGAUANTUVSBW-CXAGYDPISA-N -1 1 388.468 1.724 20 0 GDADMM COc1ccc(NC(=O)C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)cc1NC(=O)[O-] ZINC000829435138 603909747 /nfs/dbraw/zinc/90/97/47/603909747.db2.gz REDPKJSJKGVSOG-HZMBPMFUSA-N -1 1 376.413 1.323 20 0 GDADMM Cc1ccccc1[C@H](CO)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826305813 607659522 /nfs/dbraw/zinc/65/95/22/607659522.db2.gz JDWDVUAAPVNZHD-AWEZNQCLSA-N -1 1 377.401 1.326 20 0 GDADMM CC1(C)CN(C(=O)[O-])CCN1C(=O)Cn1c(=O)c2ccccc2[nH]c1=S 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CQZJQLSMDFRZFJ-CYBMUJFWSA-N -1 1 399.447 1.607 20 0 GDADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)COc1ccc(C(=O)c2ccccc2)cc1 ZINC000833764883 605024887 /nfs/dbraw/zinc/02/48/87/605024887.db2.gz YLACJUSFRFFCGV-SFHVURJKSA-N -1 1 393.399 1.832 20 0 GDADMM CN1CCC(O)(CNS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)CC1 ZINC000397628476 605038246 /nfs/dbraw/zinc/03/82/46/605038246.db2.gz MCFBHSUPUALQFW-UHFFFAOYSA-N -1 1 397.280 1.427 20 0 GDADMM CC(=O)N[C@H](CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-])c1ccc(F)cc1F ZINC000833395897 605081130 /nfs/dbraw/zinc/08/11/30/605081130.db2.gz SZEQYSMYXUUSCQ-CABCVRRESA-N -1 1 380.351 1.067 20 0 GDADMM C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000833595646 605087900 /nfs/dbraw/zinc/08/79/00/605087900.db2.gz KXWHISHBILVQHA-ZIAGYGMSSA-N -1 1 383.489 1.545 20 0 GDADMM C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000833595635 605088944 /nfs/dbraw/zinc/08/89/44/605088944.db2.gz KXWHISHBILVQHA-KBPBESRZSA-N -1 1 383.489 1.545 20 0 GDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000833620662 605099417 /nfs/dbraw/zinc/09/94/17/605099417.db2.gz LXLPAWOXTDUHGT-KFWWJZLASA-N -1 1 383.489 1.687 20 0 GDADMM CC(C)C[C@@H](NC(=O)CN[C@H](C)c1cccc(N2CCOC2=O)c1)C(=O)[O-] ZINC000833483234 605119169 /nfs/dbraw/zinc/11/91/69/605119169.db2.gz WNPICDCAAZTUDY-CZUORRHYSA-N -1 1 377.441 1.909 20 0 GDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000833618351 605168622 /nfs/dbraw/zinc/16/86/22/605168622.db2.gz AUSDXEPNOCFRSI-IFXJQAMLSA-N -1 1 383.489 1.641 20 0 GDADMM CCS(=O)(=O)c1ccc2oc(CN3CCN(CCC(=O)[O-])C[C@@H]3C)nc2c1 ZINC000833665525 605195087 /nfs/dbraw/zinc/19/50/87/605195087.db2.gz DOFPQYNSIHRCQQ-ZDUSSCGKSA-N -1 1 395.481 1.602 20 0 GDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000833620006 605205041 /nfs/dbraw/zinc/20/50/41/605205041.db2.gz JSRNEKHREVZWIZ-OCCSQVGLSA-N -1 1 395.406 1.325 20 0 GDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000833620674 605205268 /nfs/dbraw/zinc/20/52/68/605205268.db2.gz MASCYNRGFLSPCP-XJKSGUPXSA-N -1 1 393.871 1.700 20 0 GDADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000833767641 605222464 /nfs/dbraw/zinc/22/24/64/605222464.db2.gz LSKIKGPINJSCAQ-OTYXRUKQSA-N -1 1 394.790 1.367 20 0 GDADMM COc1cc(C)cc(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000826177906 607744191 /nfs/dbraw/zinc/74/41/91/607744191.db2.gz ALSWVOFZVYYPJI-UHFFFAOYSA-N -1 1 377.401 1.801 20 0 GDADMM C[C@@H]1CN(C(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)CCN1CCC(=O)[O-] ZINC000833617184 605276868 /nfs/dbraw/zinc/27/68/68/605276868.db2.gz BKOUQMJMLAKBJU-HUUCEWRRSA-N -1 1 383.489 1.783 20 0 GDADMM C[C@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c2cccnc2O1 ZINC000824991614 607747966 /nfs/dbraw/zinc/74/79/66/607747966.db2.gz CXMWMRRZLMLUDR-VIFPVBQESA-N -1 1 376.373 1.377 20 0 GDADMM C[C@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c2cccnc2O1 ZINC000824991614 607747967 /nfs/dbraw/zinc/74/79/67/607747967.db2.gz CXMWMRRZLMLUDR-VIFPVBQESA-N -1 1 376.373 1.377 20 0 GDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C=CC(=O)Nc1ccc2n[nH]cc2c1 ZINC000833624333 605475386 /nfs/dbraw/zinc/47/53/86/605475386.db2.gz UKQMBUGKRPOXAS-ZFDPJTLLSA-N -1 1 385.424 1.065 20 0 GDADMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(C(=O)C(=O)Nc2cnn(-c3ccncc3)c2)C1 ZINC000825205892 605498498 /nfs/dbraw/zinc/49/84/98/605498498.db2.gz ZZOLGEKWAIVFLG-OLZOCXBDSA-N -1 1 386.412 1.101 20 0 GDADMM O=C(CN1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)[O-])C1)NC1CCCC1 ZINC000834006869 605517466 /nfs/dbraw/zinc/51/74/66/605517466.db2.gz DZNSLDGEUZRYKS-HOCLYGCPSA-N -1 1 380.489 1.016 20 0 GDADMM O=C([O-])NCc1ccc(C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)o1 ZINC000832691979 605523021 /nfs/dbraw/zinc/52/30/21/605523021.db2.gz UNKBJZGCNPPAJL-DOTOQJQBSA-N -1 1 387.436 1.660 20 0 GDADMM O=C([O-])N1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)c2ccc(F)cc2O)C1 ZINC000834032433 605609466 /nfs/dbraw/zinc/60/94/66/605609466.db2.gz WTMOQTNOMGSYKL-WFASDCNBSA-N -1 1 393.415 1.642 20 0 GDADMM C[C@H]1CN(C[C@@H]2CN(C)CCO2)CCN1Cc1cc(C(=O)[O-])ccc1Cl ZINC000833621157 605831656 /nfs/dbraw/zinc/83/16/56/605831656.db2.gz MJVQDKWAUHEMGL-YOEHRIQHSA-N -1 1 381.904 1.875 20 0 GDADMM C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000833827998 605879392 /nfs/dbraw/zinc/87/93/92/605879392.db2.gz COVXQGQLNLLYDK-MNOVXSKESA-N -1 1 378.385 1.041 20 0 GDADMM C[C@@H]1C[C@@H](CNC(=O)[O-])CN1CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000833827998 605879395 /nfs/dbraw/zinc/87/93/95/605879395.db2.gz COVXQGQLNLLYDK-MNOVXSKESA-N -1 1 378.385 1.041 20 0 GDADMM CC(C)CN1CCO[C@@H](CNC(=O)C(=O)Nc2cc(Cl)ccc2C(=O)[O-])C1 ZINC000833489307 605882411 /nfs/dbraw/zinc/88/24/11/605882411.db2.gz ZRDGZBMINTVOTK-ZDUSSCGKSA-N -1 1 397.859 1.450 20 0 GDADMM CNC(=O)c1cccc(NC(=O)[C@@H](C)N2CCC3(C2)CCN(C(=O)[O-])CC3)c1 ZINC000833876988 605895193 /nfs/dbraw/zinc/89/51/93/605895193.db2.gz LTCWDQNSPKFIDD-CQSZACIVSA-N -1 1 388.468 1.839 20 0 GDADMM O=C([O-])c1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000833769244 605923411 /nfs/dbraw/zinc/92/34/11/605923411.db2.gz YTHSDEKNKQGZAW-JTQLQIEISA-N -1 1 396.241 1.439 20 0 GDADMM O=C([O-])Nc1ccc(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c([O-])c1 ZINC000834254613 605934028 /nfs/dbraw/zinc/93/40/28/605934028.db2.gz AJTSEVHWVXEKFN-INIZCTEOSA-N -1 1 385.420 1.979 20 0 GDADMM O=C([O-])Nc1ccc(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c([O-])c1 ZINC000834254613 605934029 /nfs/dbraw/zinc/93/40/29/605934029.db2.gz AJTSEVHWVXEKFN-INIZCTEOSA-N -1 1 385.420 1.979 20 0 GDADMM O=C([O-])N1CCN(C(=O)[C@H]2CCCN(Cc3nc4c(s3)CCC4)C2)CC1 ZINC000834115938 605990544 /nfs/dbraw/zinc/99/05/44/605990544.db2.gz OHKYTYVPFGRULU-ZDUSSCGKSA-N -1 1 378.498 1.666 20 0 GDADMM O=C([O-])N[C@@H]1CCCN(Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000834179999 606054266 /nfs/dbraw/zinc/05/42/66/606054266.db2.gz CDPPYNJTRAREAL-SNVBAGLBSA-N -1 1 381.230 1.849 20 0 GDADMM O=C([O-])N1CCSC[C@H]1CC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000833989655 606093583 /nfs/dbraw/zinc/09/35/83/606093583.db2.gz ZAVXULLVLUCVKJ-QWHCGFSZSA-N -1 1 379.486 1.874 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)NC(=O)Nc1ccccc1 ZINC000820511847 606133471 /nfs/dbraw/zinc/13/34/71/606133471.db2.gz DFLJOHWETVKYKD-VIFPVBQESA-N -1 1 386.393 1.822 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)NC(=O)Nc1ccccc1 ZINC000820511847 606133473 /nfs/dbraw/zinc/13/34/73/606133473.db2.gz DFLJOHWETVKYKD-VIFPVBQESA-N -1 1 386.393 1.822 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000820512284 606133753 /nfs/dbraw/zinc/13/37/53/606133753.db2.gz IZRKFYSGAPGHKD-MRVPVSSYSA-N -1 1 399.388 1.687 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000820512284 606133755 /nfs/dbraw/zinc/13/37/55/606133755.db2.gz IZRKFYSGAPGHKD-MRVPVSSYSA-N -1 1 399.388 1.687 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)n1 ZINC000822609605 606160077 /nfs/dbraw/zinc/16/00/77/606160077.db2.gz RVCJCMFNBMIXBH-CYBMUJFWSA-N -1 1 378.400 1.846 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)n1 ZINC000822609605 606160079 /nfs/dbraw/zinc/16/00/79/606160079.db2.gz RVCJCMFNBMIXBH-CYBMUJFWSA-N -1 1 378.400 1.846 20 0 GDADMM Cc1ccc(N2CCCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CC2)cc1 ZINC000822242784 606162443 /nfs/dbraw/zinc/16/24/43/606162443.db2.gz XVAGYUSWAAFMLO-UHFFFAOYSA-N -1 1 381.444 1.653 20 0 GDADMM Cc1ccc(N2CCCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CC2)cc1 ZINC000822242784 606162444 /nfs/dbraw/zinc/16/24/44/606162444.db2.gz XVAGYUSWAAFMLO-UHFFFAOYSA-N -1 1 381.444 1.653 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@@H](O)c2c(F)cccc2Cl)n1 ZINC000822614833 606164311 /nfs/dbraw/zinc/16/43/11/606164311.db2.gz UPNXGBJITPXUDO-SNVBAGLBSA-N -1 1 380.771 1.248 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@@H](O)c2c(F)cccc2Cl)n1 ZINC000822614833 606164313 /nfs/dbraw/zinc/16/43/13/606164313.db2.gz UPNXGBJITPXUDO-SNVBAGLBSA-N -1 1 380.771 1.248 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2CCCN(c3cccc(F)c3)C2)n1 ZINC000822614944 606166104 /nfs/dbraw/zinc/16/61/04/606166104.db2.gz XWDVVDLWWJIQTM-LBPRGKRZSA-N -1 1 385.407 1.530 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2CCCN(c3cccc(F)c3)C2)n1 ZINC000822614944 606166105 /nfs/dbraw/zinc/16/61/05/606166105.db2.gz XWDVVDLWWJIQTM-LBPRGKRZSA-N -1 1 385.407 1.530 20 0 GDADMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2ncc(-c3cccc(F)c3)o2)c1=O ZINC000821565466 606171067 /nfs/dbraw/zinc/17/10/67/606171067.db2.gz UKUHSEFJMCAEOA-UHFFFAOYSA-N -1 1 383.343 1.052 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N(C)[C@H](C)C(=O)OC(C)(C)C)cc1-c1nn[n-]n1 ZINC000821969400 606185178 /nfs/dbraw/zinc/18/51/78/606185178.db2.gz ABRKVFTXJOHZRZ-MRVPVSSYSA-N -1 1 394.457 1.491 20 0 GDADMM C[C@@H]1Oc2ccccc2N(CCC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])C1=O ZINC000820820784 606195005 /nfs/dbraw/zinc/19/50/05/606195005.db2.gz QFJRXUVGNFIBGA-NSHDSACASA-N -1 1 394.391 1.715 20 0 GDADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2cccc(-c3nn[nH]n3)c2)o1 ZINC000821343826 606201836 /nfs/dbraw/zinc/20/18/36/606201836.db2.gz VFFJQUYLAVGOJU-SNVBAGLBSA-N -1 1 391.409 1.676 20 0 GDADMM O=C([O-])c1cc(S(=O)(=O)Nc2cc(-c3nn[nH]n3)ccc2O)ccc1Cl ZINC000823387456 606211272 /nfs/dbraw/zinc/21/12/72/606211272.db2.gz KQQMKHZSHGKBRK-UHFFFAOYSA-N -1 1 395.784 1.725 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@H](c1ccco1)N(C)C ZINC000822005998 606295511 /nfs/dbraw/zinc/29/55/11/606295511.db2.gz WNIFEQPLXIODIG-CQSZACIVSA-N -1 1 399.455 1.529 20 0 GDADMM COc1ccccc1N1C[C@H](C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CC1=O ZINC000821898066 606296618 /nfs/dbraw/zinc/29/66/18/606296618.db2.gz MHHWEPYHNHQALR-GFCCVEGCSA-N -1 1 394.391 1.573 20 0 GDADMM CN(C)Cc1ccnc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)c1 ZINC000821588112 606392040 /nfs/dbraw/zinc/39/20/40/606392040.db2.gz BGWKXLQBDVXSHV-UHFFFAOYSA-N -1 1 393.860 1.778 20 0 GDADMM CCN(CC)C(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc(-c2nn[n-]n2)s1 ZINC000821170570 606393532 /nfs/dbraw/zinc/39/35/32/606393532.db2.gz SZBRPHUSRGYOIN-CYBMUJFWSA-N -1 1 391.526 1.932 20 0 GDADMM CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1ccc(-c2nn[n-]n2)s1 ZINC000821632652 606394261 /nfs/dbraw/zinc/39/42/61/606394261.db2.gz BXDPMKQOAKPONT-INIZCTEOSA-N -1 1 383.437 1.265 20 0 GDADMM CC1=C(C(=O)N(C)C)[C@@H](c2ccc(-c3nn[n-]n3)s2)NC(=O)N1CC1CC1 ZINC000820637778 606394936 /nfs/dbraw/zinc/39/49/36/606394936.db2.gz ZUKFOYIBVCRSOS-CQSZACIVSA-N -1 1 387.469 1.767 20 0 GDADMM CCc1cccc2c(CCNS(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)c[nH]c21 ZINC000821491893 606435369 /nfs/dbraw/zinc/43/53/69/606435369.db2.gz BCUXPUGEOHIFBF-UHFFFAOYSA-N -1 1 397.464 1.826 20 0 GDADMM CCc1cccc2c(CCNS(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)c[nH]c21 ZINC000821491893 606435372 /nfs/dbraw/zinc/43/53/72/606435372.db2.gz BCUXPUGEOHIFBF-UHFFFAOYSA-N -1 1 397.464 1.826 20 0 GDADMM O=C(c1ccccc1O)N1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000823492956 606452567 /nfs/dbraw/zinc/45/25/67/606452567.db2.gz AZWNWXBPNRRIPZ-UHFFFAOYSA-N -1 1 385.815 1.583 20 0 GDADMM O=C(c1ccccc1O)N1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000823492956 606452568 /nfs/dbraw/zinc/45/25/68/606452568.db2.gz AZWNWXBPNRRIPZ-UHFFFAOYSA-N -1 1 385.815 1.583 20 0 GDADMM Cc1cc(S(N)(=O)=O)cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1C ZINC000822212784 606520685 /nfs/dbraw/zinc/52/06/85/606520685.db2.gz HMSRTFXYGRHKDP-UHFFFAOYSA-N -1 1 378.439 1.445 20 0 GDADMM Cc1cc(S(N)(=O)=O)cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1C ZINC000822212784 606520687 /nfs/dbraw/zinc/52/06/87/606520687.db2.gz HMSRTFXYGRHKDP-UHFFFAOYSA-N -1 1 378.439 1.445 20 0 GDADMM O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823154761 606524223 /nfs/dbraw/zinc/52/42/23/606524223.db2.gz JFNOIWBTIBSQDL-JTQLQIEISA-N -1 1 375.435 1.577 20 0 GDADMM O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)c1ccc(-c2nn[n-]n2)s1 ZINC000823154761 606524225 /nfs/dbraw/zinc/52/42/25/606524225.db2.gz JFNOIWBTIBSQDL-JTQLQIEISA-N -1 1 375.435 1.577 20 0 GDADMM COC(=O)[C@]1(F)CCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)C1 ZINC000821654199 606546468 /nfs/dbraw/zinc/54/64/68/606546468.db2.gz WXRLJAUSHWVRIT-KRWDZBQOSA-N -1 1 388.359 1.286 20 0 GDADMM COC(=O)[C@]1(F)CCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)C1 ZINC000821654199 606546470 /nfs/dbraw/zinc/54/64/70/606546470.db2.gz WXRLJAUSHWVRIT-KRWDZBQOSA-N -1 1 388.359 1.286 20 0 GDADMM C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820564083 606546819 /nfs/dbraw/zinc/54/68/19/606546819.db2.gz YBVDJIXESDXLCD-VIFPVBQESA-N -1 1 392.466 1.409 20 0 GDADMM C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820564083 606546821 /nfs/dbraw/zinc/54/68/21/606546821.db2.gz YBVDJIXESDXLCD-VIFPVBQESA-N -1 1 392.466 1.409 20 0 GDADMM Cc1cccc(-n2cc(C(=O)COC(=O)c3sccc3-c3nn[n-]n3)nn2)c1 ZINC000822283787 606559426 /nfs/dbraw/zinc/55/94/26/606559426.db2.gz CSZRXOIBKAMFQD-UHFFFAOYSA-N -1 1 395.404 1.857 20 0 GDADMM CCOC(=O)[C@H](C)CNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000821314557 606580519 /nfs/dbraw/zinc/58/05/19/606580519.db2.gz MGXXGISJKVWILJ-SECBINFHSA-N -1 1 390.469 1.790 20 0 GDADMM COC(=O)C1(CNC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)CCCC1 ZINC000821653728 606585205 /nfs/dbraw/zinc/58/52/05/606585205.db2.gz IWHMJCHKDGLDKI-UHFFFAOYSA-N -1 1 392.441 1.152 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@H]2CCC[C@@H](C(F)(F)F)C2)n(C)c1=O ZINC000822600616 606595213 /nfs/dbraw/zinc/59/52/13/606595213.db2.gz OFGKOCQGLJUYTA-DTWKUNHWSA-N -1 1 387.366 1.045 20 0 GDADMM Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822458632 606648338 /nfs/dbraw/zinc/64/83/38/606648338.db2.gz GNMUECDUNIEOGF-UHFFFAOYSA-N -1 1 394.395 1.152 20 0 GDADMM Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822458632 606648339 /nfs/dbraw/zinc/64/83/39/606648339.db2.gz GNMUECDUNIEOGF-UHFFFAOYSA-N -1 1 394.395 1.152 20 0 GDADMM O=C(CCC(=O)c1ccc2c(c1)OCCO2)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822950730 606653530 /nfs/dbraw/zinc/65/35/30/606653530.db2.gz ZPWAXIKNMJQAIE-UHFFFAOYSA-N -1 1 395.375 1.739 20 0 GDADMM O=C(CCC(=O)c1ccc2c(c1)OCCO2)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822950730 606653531 /nfs/dbraw/zinc/65/35/31/606653531.db2.gz ZPWAXIKNMJQAIE-UHFFFAOYSA-N -1 1 395.375 1.739 20 0 GDADMM Cc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)c(OC[C@H]2CCOC2)c1 ZINC000822238706 606688945 /nfs/dbraw/zinc/68/89/45/606688945.db2.gz QYTXFDRIUZSELP-AWEZNQCLSA-N -1 1 394.435 1.915 20 0 GDADMM Cc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)c(OC[C@H]2CCOC2)c1 ZINC000822238706 606688946 /nfs/dbraw/zinc/68/89/46/606688946.db2.gz QYTXFDRIUZSELP-AWEZNQCLSA-N -1 1 394.435 1.915 20 0 GDADMM COC(=O)[C@H]1CN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)C[C@@H]1C ZINC000821655730 606690232 /nfs/dbraw/zinc/69/02/32/606690232.db2.gz QNIOBKAUPPDOOI-JQWIXIFHSA-N -1 1 384.396 1.440 20 0 GDADMM COC(=O)[C@H]1CN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)C[C@@H]1C ZINC000821655730 606690233 /nfs/dbraw/zinc/69/02/33/606690233.db2.gz QNIOBKAUPPDOOI-JQWIXIFHSA-N -1 1 384.396 1.440 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N(C)CCOCC1CC1 ZINC000822458912 606693559 /nfs/dbraw/zinc/69/35/59/606693559.db2.gz ISFWCQQMFCAIEM-UHFFFAOYSA-N -1 1 398.471 1.344 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N(C)CCOCC1CC1 ZINC000822458912 606693560 /nfs/dbraw/zinc/69/35/60/606693560.db2.gz ISFWCQQMFCAIEM-UHFFFAOYSA-N -1 1 398.471 1.344 20 0 GDADMM CC(C)[C@@H](CO)N(Cc1ccccc1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820021454 606697011 /nfs/dbraw/zinc/69/70/11/606697011.db2.gz UGSFWTSHBAYOFS-OAHLLOKOSA-N -1 1 384.444 1.651 20 0 GDADMM CC(C)[C@@H](CO)N(Cc1ccccc1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820021454 606697012 /nfs/dbraw/zinc/69/70/12/606697012.db2.gz UGSFWTSHBAYOFS-OAHLLOKOSA-N -1 1 384.444 1.651 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)n1 ZINC000822613112 606697211 /nfs/dbraw/zinc/69/72/11/606697211.db2.gz AQKLBUCOZQAWSP-VIFPVBQESA-N -1 1 389.370 1.279 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)n1 ZINC000822613112 606697212 /nfs/dbraw/zinc/69/72/12/606697212.db2.gz AQKLBUCOZQAWSP-VIFPVBQESA-N -1 1 389.370 1.279 20 0 GDADMM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(c2cccc(-c3nnn[n-]3)n2)CCO1 ZINC000820384369 606727055 /nfs/dbraw/zinc/72/70/55/606727055.db2.gz CMDQWIBWDZBDCT-WCQYABFASA-N -1 1 375.433 1.380 20 0 GDADMM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(c2cccc(-c3nn[n-]n3)n2)CCO1 ZINC000820384369 606727056 /nfs/dbraw/zinc/72/70/56/606727056.db2.gz CMDQWIBWDZBDCT-WCQYABFASA-N -1 1 375.433 1.380 20 0 GDADMM C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c2ccccc2O1 ZINC000820766619 606763047 /nfs/dbraw/zinc/76/30/47/606763047.db2.gz BYEZVWVUWUUALN-JTQLQIEISA-N -1 1 375.385 1.982 20 0 GDADMM CC(C)C[C@H]1CC(=O)N(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)C1 ZINC000820062467 606769088 /nfs/dbraw/zinc/76/90/88/606769088.db2.gz MMHPRYCDNPWJMI-CABCVRRESA-N -1 1 399.503 1.019 20 0 GDADMM CC(C)C[C@H]1CC(=O)N(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)C1 ZINC000820062467 606769089 /nfs/dbraw/zinc/76/90/89/606769089.db2.gz MMHPRYCDNPWJMI-CABCVRRESA-N -1 1 399.503 1.019 20 0 GDADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1cc(C2CCOCC2)n[nH]1 ZINC000822223850 606779438 /nfs/dbraw/zinc/77/94/38/606779438.db2.gz MIYWEQVKDDUSKS-UHFFFAOYSA-N -1 1 389.441 1.593 20 0 GDADMM Cc1ccc2nc(CN3CCN(c4nccnc4-c4nnn[n-]4)C[C@H]3C)cn2c1 ZINC000822280491 606781562 /nfs/dbraw/zinc/78/15/62/606781562.db2.gz POSIDSXGGMVDIJ-CQSZACIVSA-N -1 1 390.455 1.324 20 0 GDADMM Cc1ccc2nc(CN3CCN(c4nccnc4-c4nn[n-]n4)C[C@H]3C)cn2c1 ZINC000822280491 606781563 /nfs/dbraw/zinc/78/15/63/606781563.db2.gz POSIDSXGGMVDIJ-CQSZACIVSA-N -1 1 390.455 1.324 20 0 GDADMM C[C@H](NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1ccccn1 ZINC000820348948 606789777 /nfs/dbraw/zinc/78/97/77/606789777.db2.gz GWSCDMJYJNROOO-OLZOCXBDSA-N -1 1 394.443 1.033 20 0 GDADMM C[C@H](NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1ccccn1 ZINC000820348948 606789778 /nfs/dbraw/zinc/78/97/78/606789778.db2.gz GWSCDMJYJNROOO-OLZOCXBDSA-N -1 1 394.443 1.033 20 0 GDADMM CSCC[C@@H](C)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821962776 606792843 /nfs/dbraw/zinc/79/28/43/606792843.db2.gz WPKJGOHFEWPILB-NEPJUHHUSA-N -1 1 391.505 1.018 20 0 GDADMM CSCC[C@@H](C)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821962776 606792844 /nfs/dbraw/zinc/79/28/44/606792844.db2.gz WPKJGOHFEWPILB-NEPJUHHUSA-N -1 1 391.505 1.018 20 0 GDADMM O=C(CCc1ccccc1)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000823151313 606814776 /nfs/dbraw/zinc/81/47/76/606814776.db2.gz ZOOOBRUGUBGYNA-INIZCTEOSA-N -1 1 391.435 1.225 20 0 GDADMM O=C(CCc1ccccc1)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000823151313 606814778 /nfs/dbraw/zinc/81/47/78/606814778.db2.gz ZOOOBRUGUBGYNA-INIZCTEOSA-N -1 1 391.435 1.225 20 0 GDADMM Cc1ccccc1CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000822352362 606820721 /nfs/dbraw/zinc/82/07/21/606820721.db2.gz XUZQATPUPJRBJE-AWEZNQCLSA-N -1 1 378.440 1.245 20 0 GDADMM Cc1ccccc1CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000822352362 606820723 /nfs/dbraw/zinc/82/07/23/606820723.db2.gz XUZQATPUPJRBJE-AWEZNQCLSA-N -1 1 378.440 1.245 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)Cc1ccc(Cl)cc1 ZINC000820775444 606821177 /nfs/dbraw/zinc/82/11/77/606821177.db2.gz IFYUEPDBBJMLNE-GFCCVEGCSA-N -1 1 398.858 1.590 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)Cc1ccc(Cl)cc1 ZINC000820775444 606821178 /nfs/dbraw/zinc/82/11/78/606821178.db2.gz IFYUEPDBBJMLNE-GFCCVEGCSA-N -1 1 398.858 1.590 20 0 GDADMM C[C@@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)c1ccsc1 ZINC000819854260 606822416 /nfs/dbraw/zinc/82/24/16/606822416.db2.gz BMPZNCXEXANNPD-NWDGAFQWSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)c1ccsc1 ZINC000819854260 606822417 /nfs/dbraw/zinc/82/24/17/606822417.db2.gz BMPZNCXEXANNPD-NWDGAFQWSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@@H]1CCCC[C@@H]1CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820698966 606822961 /nfs/dbraw/zinc/82/29/61/606822961.db2.gz WWZCQFXRJVYRAP-RBSFLKMASA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCCC[C@@H]1CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820698966 606822962 /nfs/dbraw/zinc/82/29/62/606822962.db2.gz WWZCQFXRJVYRAP-RBSFLKMASA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@@H]1Cc2ccccc21 ZINC000820777510 606822979 /nfs/dbraw/zinc/82/29/79/606822979.db2.gz RVNGGOJMQDHFBY-SWLSCSKDSA-N -1 1 376.424 1.034 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@@H]1Cc2ccccc21 ZINC000820777510 606822980 /nfs/dbraw/zinc/82/29/80/606822980.db2.gz RVNGGOJMQDHFBY-SWLSCSKDSA-N -1 1 376.424 1.034 20 0 GDADMM CSc1cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)ccn1 ZINC000821978869 606824189 /nfs/dbraw/zinc/82/41/89/606824189.db2.gz NJXWSCXGXLQHPQ-NSHDSACASA-N -1 1 397.468 1.125 20 0 GDADMM CSc1cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)ccn1 ZINC000821978869 606824191 /nfs/dbraw/zinc/82/41/91/606824191.db2.gz NJXWSCXGXLQHPQ-NSHDSACASA-N -1 1 397.468 1.125 20 0 GDADMM COC(=O)CCC1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000821660011 606845300 /nfs/dbraw/zinc/84/53/00/606845300.db2.gz CJEFRCGWFOLOJJ-UHFFFAOYSA-N -1 1 397.432 1.360 20 0 GDADMM CN(Cc1cc(Cl)cn1C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821607558 606895623 /nfs/dbraw/zinc/89/56/23/606895623.db2.gz UHGXJZXKYSKHDU-UHFFFAOYSA-N -1 1 384.824 1.818 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N[C@@H]1CCC(F)(F)C1 ZINC000820788701 606934068 /nfs/dbraw/zinc/93/40/68/606934068.db2.gz MPBLECLTTXNEMX-GHMZBOCLSA-N -1 1 393.402 1.065 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N[C@@H]1CCC(F)(F)C1 ZINC000820788701 606934070 /nfs/dbraw/zinc/93/40/70/606934070.db2.gz MPBLECLTTXNEMX-GHMZBOCLSA-N -1 1 393.402 1.065 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CC[C@H](Oc3ccccn3)C2)cc1-c1nn[n-]n1 ZINC000821971064 606967763 /nfs/dbraw/zinc/96/77/63/606967763.db2.gz WZIOOQHPVOMSKX-JTQLQIEISA-N -1 1 399.436 1.378 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCOC2(CCCC2)C1 ZINC000823600624 607006221 /nfs/dbraw/zinc/00/62/21/607006221.db2.gz JESLCWSVARGHJQ-UHFFFAOYSA-N -1 1 383.861 1.854 20 0 GDADMM COc1ccc(CNC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)c(F)c1 ZINC000821798478 607020771 /nfs/dbraw/zinc/02/07/71/607020771.db2.gz BCFALYRESDYWCU-UHFFFAOYSA-N -1 1 390.400 1.767 20 0 GDADMM O[C@H](CNc1cccc(-c2nnn[n-]2)n1)COc1ccccc1Br ZINC000823689325 607032403 /nfs/dbraw/zinc/03/24/03/607032403.db2.gz DRNNYQMRZBWNRV-SNVBAGLBSA-N -1 1 391.229 1.876 20 0 GDADMM O[C@H](CNc1cccc(-c2nn[n-]n2)n1)COc1ccccc1Br ZINC000823689325 607032404 /nfs/dbraw/zinc/03/24/04/607032404.db2.gz DRNNYQMRZBWNRV-SNVBAGLBSA-N -1 1 391.229 1.876 20 0 GDADMM COc1ccc(O)c(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)c1 ZINC000821838051 607054034 /nfs/dbraw/zinc/05/40/34/607054034.db2.gz JWATYSJURGNICN-UHFFFAOYSA-N -1 1 384.396 1.870 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCO[C@@H](C)[C@H]1C ZINC000822459880 607067558 /nfs/dbraw/zinc/06/75/58/607067558.db2.gz ZVZCQKDGIODUQQ-YPMHNXCESA-N -1 1 384.444 1.095 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCO[C@@H](C)[C@H]1C ZINC000822459880 607067560 /nfs/dbraw/zinc/06/75/60/607067560.db2.gz ZVZCQKDGIODUQQ-YPMHNXCESA-N -1 1 384.444 1.095 20 0 GDADMM CS/C=C\C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000821956398 607120043 /nfs/dbraw/zinc/12/00/43/607120043.db2.gz NUAXATJKBQEAOE-FPLPWBNLSA-N -1 1 385.409 1.411 20 0 GDADMM CS/C=C\C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000821956398 607120044 /nfs/dbraw/zinc/12/00/44/607120044.db2.gz NUAXATJKBQEAOE-FPLPWBNLSA-N -1 1 385.409 1.411 20 0 GDADMM CC(C)OC(=O)[C@@H](C)N(C)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000820141908 607128003 /nfs/dbraw/zinc/12/80/03/607128003.db2.gz CBDCDWLKFHNALM-SECBINFHSA-N -1 1 387.849 1.481 20 0 GDADMM CCc1nn(Cc2nc(-c3cccs3)n[nH]2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000821518453 607144265 /nfs/dbraw/zinc/14/42/65/607144265.db2.gz UYUROYSQACTACN-UHFFFAOYSA-N -1 1 383.441 1.443 20 0 GDADMM Cc1cc(COC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)nn1C ZINC000822459886 607155142 /nfs/dbraw/zinc/15/51/42/607155142.db2.gz ZZDLYUDYELZPQP-UHFFFAOYSA-N -1 1 395.427 1.244 20 0 GDADMM Cc1cc(COC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)nn1C ZINC000822459886 607155144 /nfs/dbraw/zinc/15/51/44/607155144.db2.gz ZZDLYUDYELZPQP-UHFFFAOYSA-N -1 1 395.427 1.244 20 0 GDADMM O=C(c1ccc(O)cc1)N1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000823488847 607167867 /nfs/dbraw/zinc/16/78/67/607167867.db2.gz VJCKROUQAIJJRN-UHFFFAOYSA-N -1 1 385.815 1.583 20 0 GDADMM O=C(c1ccc(O)cc1)N1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000823488847 607167868 /nfs/dbraw/zinc/16/78/68/607167868.db2.gz VJCKROUQAIJJRN-UHFFFAOYSA-N -1 1 385.815 1.583 20 0 GDADMM CS[C@H](CO)[C@@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000821948208 607187046 /nfs/dbraw/zinc/18/70/46/607187046.db2.gz BFHGQZNVRMYVOY-MWLCHTKSSA-N -1 1 376.442 1.401 20 0 GDADMM CS[C@H](CO)[C@@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000821948208 607187045 /nfs/dbraw/zinc/18/70/45/607187045.db2.gz BFHGQZNVRMYVOY-MWLCHTKSSA-N -1 1 376.442 1.401 20 0 GDADMM Cc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c(OCc2ccccc2)c1 ZINC000822248424 607208934 /nfs/dbraw/zinc/20/89/34/607208934.db2.gz FTPPMJFHZXTQIQ-UHFFFAOYSA-N -1 1 390.407 1.984 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccc(OCc2cccc(F)c2)c1 ZINC000823135941 607209291 /nfs/dbraw/zinc/20/92/91/607209291.db2.gz BIOHOCVDMDCAQA-UHFFFAOYSA-N -1 1 394.370 1.815 20 0 GDADMM Cc1ccc(-c2nnc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)s2)c(C)c1 ZINC000822214080 607211186 /nfs/dbraw/zinc/21/11/86/607211186.db2.gz OHVPCGHRZQVLKW-UHFFFAOYSA-N -1 1 382.413 1.232 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N(CCc1ccccc1)Cc1ccncc1 ZINC000823122664 607212545 /nfs/dbraw/zinc/21/25/45/607212545.db2.gz FYZQNVPWGQDYCK-UHFFFAOYSA-N -1 1 389.423 1.125 20 0 GDADMM Cc1cc(Sc2ncccn2)ccc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822213031 607212548 /nfs/dbraw/zinc/21/25/48/607212548.db2.gz RIKZXOQVNZRIQI-UHFFFAOYSA-N -1 1 394.424 1.347 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000823126639 607220550 /nfs/dbraw/zinc/22/05/50/607220550.db2.gz KTXXAQWNAIOPBV-MRVPVSSYSA-N -1 1 381.183 1.015 20 0 GDADMM CN(C)c1nc(Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)ns1 ZINC000821590829 607228770 /nfs/dbraw/zinc/22/87/70/607228770.db2.gz IEIMCJQNQCGXNI-UHFFFAOYSA-N -1 1 388.844 1.801 20 0 GDADMM Cc1ccc(Cl)cc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000826288985 607794999 /nfs/dbraw/zinc/79/49/99/607794999.db2.gz FSOUINDNCGGIGJ-GFCCVEGCSA-N -1 1 398.858 1.969 20 0 GDADMM Cc1ccc(Cl)cc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000826288985 607795000 /nfs/dbraw/zinc/79/50/00/607795000.db2.gz FSOUINDNCGGIGJ-GFCCVEGCSA-N -1 1 398.858 1.969 20 0 GDADMM Cn1c2nnc(COc3cccc(F)c3-c3nnn[n-]3)n2c2ccsc2c1=O ZINC000826354804 607863854 /nfs/dbraw/zinc/86/38/54/607863854.db2.gz VRINTYWOVBZYFK-UHFFFAOYSA-N -1 1 398.383 1.541 20 0 GDADMM Cn1c2nnc(COc3cccc(F)c3-c3nn[n-]n3)n2c2ccsc2c1=O ZINC000826354804 607863855 /nfs/dbraw/zinc/86/38/55/607863855.db2.gz VRINTYWOVBZYFK-UHFFFAOYSA-N -1 1 398.383 1.541 20 0 GDADMM O=S(=O)(Oc1cccc(F)c1-c1nnn[n-]1)c1cnn(-c2ccccc2)c1 ZINC000826493722 607868080 /nfs/dbraw/zinc/86/80/80/607868080.db2.gz ZPCJIZUEIAXHLT-UHFFFAOYSA-N -1 1 386.368 1.959 20 0 GDADMM O=S(=O)(Oc1cccc(F)c1-c1nn[n-]n1)c1cnn(-c2ccccc2)c1 ZINC000826493722 607868081 /nfs/dbraw/zinc/86/80/81/607868081.db2.gz ZPCJIZUEIAXHLT-UHFFFAOYSA-N -1 1 386.368 1.959 20 0 GDADMM C[C@@H](C(=O)Nc1ccc(Nc2cccc(-c3nnn[n-]3)n2)cc1)n1cncn1 ZINC000824045236 607896189 /nfs/dbraw/zinc/89/61/89/607896189.db2.gz JTECRTQMVKDCTP-NSHDSACASA-N -1 1 376.384 1.797 20 0 GDADMM C[C@@H](C(=O)Nc1ccc(Nc2cccc(-c3nn[n-]n3)n2)cc1)n1cncn1 ZINC000824045236 607896190 /nfs/dbraw/zinc/89/61/90/607896190.db2.gz JTECRTQMVKDCTP-NSHDSACASA-N -1 1 376.384 1.797 20 0 GDADMM O=S(=O)(NC[C@@H](CO)Cc1ccco1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826489730 607906607 /nfs/dbraw/zinc/90/66/07/607906607.db2.gz YBOIEVOOSFNXLO-JTQLQIEISA-N -1 1 397.844 1.243 20 0 GDADMM O=S(=O)(NC[C@@H](CO)Cc1ccco1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826489730 607906608 /nfs/dbraw/zinc/90/66/08/607906608.db2.gz YBOIEVOOSFNXLO-JTQLQIEISA-N -1 1 397.844 1.243 20 0 GDADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(-n2ccnn2)cc1 ZINC000824506108 607919476 /nfs/dbraw/zinc/91/94/76/607919476.db2.gz LIHQVLYYERWWNU-SNVBAGLBSA-N -1 1 379.388 1.064 20 0 GDADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(-n2ccnn2)cc1 ZINC000824506108 607919477 /nfs/dbraw/zinc/91/94/77/607919477.db2.gz LIHQVLYYERWWNU-SNVBAGLBSA-N -1 1 379.388 1.064 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000826451054 607997610 /nfs/dbraw/zinc/99/76/10/607997610.db2.gz NUBPGCOZMACGAE-HNNXBMFYSA-N -1 1 386.318 1.982 20 0 GDADMM CN1C(=O)C[C@@H](C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])[C@H]1c1ccc(F)cc1 ZINC000826010502 607999433 /nfs/dbraw/zinc/99/94/33/607999433.db2.gz LGVCBBSLVHHJJR-CXAGYDPISA-N -1 1 396.382 1.870 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCSC[C@H]1CCO ZINC000826494491 608001380 /nfs/dbraw/zinc/00/13/80/608001380.db2.gz DWIIBCKTIHEJGH-SNVBAGLBSA-N -1 1 389.890 1.009 20 0 GDADMM Cc1ccc(N2CCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CC2)cc1C ZINC000826290389 608007912 /nfs/dbraw/zinc/00/79/12/608007912.db2.gz KVFKZRMQACVSEX-UHFFFAOYSA-N -1 1 381.444 1.571 20 0 GDADMM Cc1ccc(N2CCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CC2)cc1C ZINC000826290389 608007913 /nfs/dbraw/zinc/00/79/13/608007913.db2.gz KVFKZRMQACVSEX-UHFFFAOYSA-N -1 1 381.444 1.571 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H](CO)c2ccc(C(F)(F)F)cc2)n1 ZINC000826357191 608008280 /nfs/dbraw/zinc/00/82/80/608008280.db2.gz VKZDLHQRXXXLDY-NSHDSACASA-N -1 1 396.333 1.474 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H](CO)c2ccc(C(F)(F)F)cc2)n1 ZINC000826357191 608008281 /nfs/dbraw/zinc/00/82/81/608008281.db2.gz VKZDLHQRXXXLDY-NSHDSACASA-N -1 1 396.333 1.474 20 0 GDADMM C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000824449866 608008401 /nfs/dbraw/zinc/00/84/01/608008401.db2.gz PREXQHDANNZPNO-QMMMGPOBSA-N -1 1 381.227 1.512 20 0 GDADMM O=S(=O)([N-]c1ncc(Br)cc1F)c1ccc(-c2nn[nH]n2)cc1 ZINC000826493444 608012656 /nfs/dbraw/zinc/01/26/56/608012656.db2.gz KWKZLIWVMYRLQS-UHFFFAOYSA-N -1 1 399.205 1.964 20 0 GDADMM O=C(Cn1ccnc1-c1nnn[n-]1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000826425253 608013746 /nfs/dbraw/zinc/01/37/46/608013746.db2.gz WBLNTRLZWRKZDB-AWEZNQCLSA-N -1 1 395.423 1.588 20 0 GDADMM O=C(Cn1ccnc1-c1nn[n-]n1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000826425253 608013747 /nfs/dbraw/zinc/01/37/47/608013747.db2.gz WBLNTRLZWRKZDB-AWEZNQCLSA-N -1 1 395.423 1.588 20 0 GDADMM COc1ccc2cc(CN(C)C(=O)Cn3ccnc3-c3nnn[n-]3)ccc2c1 ZINC000826213118 608014215 /nfs/dbraw/zinc/01/42/15/608014215.db2.gz LOQJDSHXNBDFIT-UHFFFAOYSA-N -1 1 377.408 1.884 20 0 GDADMM COc1ccc2cc(CN(C)C(=O)Cn3ccnc3-c3nn[n-]n3)ccc2c1 ZINC000826213118 608014216 /nfs/dbraw/zinc/01/42/16/608014216.db2.gz LOQJDSHXNBDFIT-UHFFFAOYSA-N -1 1 377.408 1.884 20 0 GDADMM Cc1ccc(N2C[C@@H](C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CCC2=O)cc1C ZINC000826289662 608029169 /nfs/dbraw/zinc/02/91/69/608029169.db2.gz IGIDDORSQZLEER-ZDUSSCGKSA-N -1 1 394.439 1.599 20 0 GDADMM Cc1ccc(N2C[C@@H](C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CCC2=O)cc1C ZINC000826289662 608029170 /nfs/dbraw/zinc/02/91/70/608029170.db2.gz IGIDDORSQZLEER-ZDUSSCGKSA-N -1 1 394.439 1.599 20 0 GDADMM CC[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)C(=O)OC ZINC000825149524 608054807 /nfs/dbraw/zinc/05/48/07/608054807.db2.gz ZOSCSEBKEYZALE-SECBINFHSA-N -1 1 393.347 1.115 20 0 GDADMM Cc1cnc2c(c1)N(S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)CCO2 ZINC000826318998 608055666 /nfs/dbraw/zinc/05/56/66/608055666.db2.gz JTNAJLOJSNTHNL-UHFFFAOYSA-N -1 1 392.828 1.811 20 0 GDADMM Cc1cnc2c(c1)N(S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)CCO2 ZINC000826318998 608055667 /nfs/dbraw/zinc/05/56/67/608055667.db2.gz JTNAJLOJSNTHNL-UHFFFAOYSA-N -1 1 392.828 1.811 20 0 GDADMM Cc1cnc2c(c1)N(S(=O)(=O)c1ccc(F)c(-c3nn[n-]n3)c1)CCO2 ZINC000826319344 608055751 /nfs/dbraw/zinc/05/57/51/608055751.db2.gz YQEGSNFIBGSASZ-UHFFFAOYSA-N -1 1 376.373 1.297 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCOCC12CCCC2 ZINC000826495394 608097310 /nfs/dbraw/zinc/09/73/10/608097310.db2.gz OEDMCJOZWSMJAB-UHFFFAOYSA-N -1 1 383.861 1.854 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCOCC12CCCC2 ZINC000826495394 608097311 /nfs/dbraw/zinc/09/73/11/608097311.db2.gz OEDMCJOZWSMJAB-UHFFFAOYSA-N -1 1 383.861 1.854 20 0 GDADMM O=S(=O)(NCC[C@@H]1CCOC1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826491190 608126092 /nfs/dbraw/zinc/12/60/92/608126092.db2.gz XLOKWPGQFAGGJE-SECBINFHSA-N -1 1 391.375 1.590 20 0 GDADMM CC(C)(C)[C@H]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000824079932 608145197 /nfs/dbraw/zinc/14/51/97/608145197.db2.gz SUFDDEOQPPDQEW-NSHDSACASA-N -1 1 388.476 1.651 20 0 GDADMM CC(C)(C)[C@H]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000824079932 608145198 /nfs/dbraw/zinc/14/51/98/608145198.db2.gz SUFDDEOQPPDQEW-NSHDSACASA-N -1 1 388.476 1.651 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCC2(c3ccccc3Cl)CC2)n(C)c1=O ZINC000826355485 608148895 /nfs/dbraw/zinc/14/88/95/608148895.db2.gz BPWBQMDOSPTFMP-UHFFFAOYSA-N -1 1 387.831 1.061 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000826472564 608166869 /nfs/dbraw/zinc/16/68/69/608166869.db2.gz ONUANZDKJKDUNH-UHFFFAOYSA-N -1 1 390.403 1.962 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000826472564 608166870 /nfs/dbraw/zinc/16/68/70/608166870.db2.gz ONUANZDKJKDUNH-UHFFFAOYSA-N -1 1 390.403 1.962 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000826472821 608169842 /nfs/dbraw/zinc/16/98/42/608169842.db2.gz XXXGUIKVBCFCPY-HNNXBMFYSA-N -1 1 395.467 1.517 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000826472821 608169843 /nfs/dbraw/zinc/16/98/43/608169843.db2.gz XXXGUIKVBCFCPY-HNNXBMFYSA-N -1 1 395.467 1.517 20 0 GDADMM C1CC1c1nsc(N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)n1 ZINC000823874436 608175377 /nfs/dbraw/zinc/17/53/77/608175377.db2.gz WZANNWTUEBYRAW-UHFFFAOYSA-N -1 1 385.457 1.788 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@H]2CCCCC23OCCO3)cc1-c1nn[n-]n1 ZINC000826229496 608196898 /nfs/dbraw/zinc/19/68/98/608196898.db2.gz GUNWPWFHJFMGGV-NSHDSACASA-N -1 1 392.441 1.105 20 0 GDADMM C[C@H](CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000824385058 608211144 /nfs/dbraw/zinc/21/11/44/608211144.db2.gz KSAXERWYURYFMR-LLVKDONJSA-N -1 1 386.435 1.896 20 0 GDADMM C[C@H](CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000824385058 608211145 /nfs/dbraw/zinc/21/11/45/608211145.db2.gz KSAXERWYURYFMR-LLVKDONJSA-N -1 1 386.435 1.896 20 0 GDADMM C[C@H]1CCCC[C@@H]1OCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824936038 608212637 /nfs/dbraw/zinc/21/26/37/608212637.db2.gz DOVJQBBOMMCPJS-AAEUAGOBSA-N -1 1 376.465 1.158 20 0 GDADMM C[C@H]1CCCC[C@@H]1OCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824936038 608212639 /nfs/dbraw/zinc/21/26/39/608212639.db2.gz DOVJQBBOMMCPJS-AAEUAGOBSA-N -1 1 376.465 1.158 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@@H]1[C@@H]1CCCC1=O ZINC000826232672 608214634 /nfs/dbraw/zinc/21/46/34/608214634.db2.gz CMBLTIUKTYVJJP-LSDHHAIUSA-N -1 1 398.467 1.877 20 0 GDADMM CCCc1cc(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)n(C)n1 ZINC000825348664 608272169 /nfs/dbraw/zinc/27/21/69/608272169.db2.gz VKQUYMULFUEZBT-UHFFFAOYSA-N -1 1 384.444 1.841 20 0 GDADMM Cc1c(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)cnn1CC(C)C ZINC000826241857 608311606 /nfs/dbraw/zinc/31/16/06/608311606.db2.gz RNBXZZNYTDONMM-UHFFFAOYSA-N -1 1 387.452 1.087 20 0 GDADMM Cc1c(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)cnn1CC(C)C ZINC000826241857 608311608 /nfs/dbraw/zinc/31/16/08/608311608.db2.gz RNBXZZNYTDONMM-UHFFFAOYSA-N -1 1 387.452 1.087 20 0 GDADMM Cc1nnc(CN2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)s1 ZINC000826335338 608317050 /nfs/dbraw/zinc/31/70/50/608317050.db2.gz JHAAWXJLEXUOEQ-UHFFFAOYSA-N -1 1 399.440 1.597 20 0 GDADMM C[C@@H](c1ccccn1)N(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824772192 608350778 /nfs/dbraw/zinc/35/07/78/608350778.db2.gz VGKLHHYOWSPUGK-NSHDSACASA-N -1 1 397.443 1.371 20 0 GDADMM C[C@@H](c1ccccn1)N(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824772192 608350780 /nfs/dbraw/zinc/35/07/80/608350780.db2.gz VGKLHHYOWSPUGK-NSHDSACASA-N -1 1 397.443 1.371 20 0 GDADMM C[C@@H](c1ccco1)N(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824770583 608351158 /nfs/dbraw/zinc/35/11/58/608351158.db2.gz MGVLDOARXUNZOQ-JTQLQIEISA-N -1 1 386.416 1.569 20 0 GDADMM C[C@@H](c1ccco1)N(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824770583 608351160 /nfs/dbraw/zinc/35/11/60/608351160.db2.gz MGVLDOARXUNZOQ-JTQLQIEISA-N -1 1 386.416 1.569 20 0 GDADMM CCN(Cc1ccoc1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825439674 608351419 /nfs/dbraw/zinc/35/14/19/608351419.db2.gz KDUWKIXUHWVUQG-UHFFFAOYSA-N -1 1 386.416 1.398 20 0 GDADMM CCN(Cc1ccoc1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825439674 608351420 /nfs/dbraw/zinc/35/14/20/608351420.db2.gz KDUWKIXUHWVUQG-UHFFFAOYSA-N -1 1 386.416 1.398 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N[C@@H]2CCCc3[nH]ccc32)n1 ZINC000824147672 608355685 /nfs/dbraw/zinc/35/56/85/608355685.db2.gz GIJITQANEYMDMK-CYBMUJFWSA-N -1 1 397.443 1.279 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N[C@@H]2CCCc3[nH]ccc32)n1 ZINC000824147672 608355687 /nfs/dbraw/zinc/35/56/87/608355687.db2.gz GIJITQANEYMDMK-CYBMUJFWSA-N -1 1 397.443 1.279 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CC[C@H](C)[C@@H](C)C1 ZINC000826327378 608384479 /nfs/dbraw/zinc/38/44/79/608384479.db2.gz FOQGGKIJDFDYOQ-RYUDHWBXSA-N -1 1 382.472 1.963 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CC[C@H](C)[C@@H](C)C1 ZINC000826327378 608384480 /nfs/dbraw/zinc/38/44/80/608384480.db2.gz FOQGGKIJDFDYOQ-RYUDHWBXSA-N -1 1 382.472 1.963 20 0 GDADMM CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825901431 608401659 /nfs/dbraw/zinc/40/16/59/608401659.db2.gz FPHIDZIOFQPCFS-LLVKDONJSA-N -1 1 395.345 1.552 20 0 GDADMM CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825901431 608401660 /nfs/dbraw/zinc/40/16/60/608401660.db2.gz FPHIDZIOFQPCFS-LLVKDONJSA-N -1 1 395.345 1.552 20 0 GDADMM O=C(Cc1c[nH]c2ccccc12)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826421616 608402505 /nfs/dbraw/zinc/40/25/05/608402505.db2.gz QRDQWTQAPCCUKK-UHFFFAOYSA-N -1 1 389.423 1.029 20 0 GDADMM O=C(Cc1c[nH]c2ccccc12)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826421616 608402507 /nfs/dbraw/zinc/40/25/07/608402507.db2.gz QRDQWTQAPCCUKK-UHFFFAOYSA-N -1 1 389.423 1.029 20 0 GDADMM CC(=O)c1ccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000824024538 608407312 /nfs/dbraw/zinc/40/73/12/608407312.db2.gz JCXCBJYXDPBSGW-UHFFFAOYSA-N -1 1 383.416 1.471 20 0 GDADMM CC(=O)c1ccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000824024538 608407314 /nfs/dbraw/zinc/40/73/14/608407314.db2.gz JCXCBJYXDPBSGW-UHFFFAOYSA-N -1 1 383.416 1.471 20 0 GDADMM COc1cc(N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)cc(OC)c1 ZINC000826180810 608433155 /nfs/dbraw/zinc/43/31/55/608433155.db2.gz XXCAOPDXONKIDU-GFCCVEGCSA-N -1 1 382.428 1.755 20 0 GDADMM COc1cc(N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)cc(OC)c1 ZINC000826180810 608433156 /nfs/dbraw/zinc/43/31/56/608433156.db2.gz XXCAOPDXONKIDU-GFCCVEGCSA-N -1 1 382.428 1.755 20 0 GDADMM CC[C@H](CSC)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825128276 608471712 /nfs/dbraw/zinc/47/17/12/608471712.db2.gz SKZSYERIKJNUFJ-SECBINFHSA-N -1 1 380.478 1.015 20 0 GDADMM CC[C@H](CSC)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825128276 608471713 /nfs/dbraw/zinc/47/17/13/608471713.db2.gz SKZSYERIKJNUFJ-SECBINFHSA-N -1 1 380.478 1.015 20 0 GDADMM CCc1ccccc1NC(=O)CN1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000825723263 608504497 /nfs/dbraw/zinc/50/44/97/608504497.db2.gz VXBHOBFKOWNRQW-UHFFFAOYSA-N -1 1 395.467 1.778 20 0 GDADMM CCc1ccccc1NC(=O)CN1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000825723263 608504498 /nfs/dbraw/zinc/50/44/98/608504498.db2.gz VXBHOBFKOWNRQW-UHFFFAOYSA-N -1 1 395.467 1.778 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccnc(OC2CCC2)c1 ZINC000825933357 608558158 /nfs/dbraw/zinc/55/81/58/608558158.db2.gz CICRIKZFKQFSLM-UHFFFAOYSA-N -1 1 397.443 1.203 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccnc(OC2CCC2)c1 ZINC000825933357 608558159 /nfs/dbraw/zinc/55/81/59/608558159.db2.gz CICRIKZFKQFSLM-UHFFFAOYSA-N -1 1 397.443 1.203 20 0 GDADMM Cc1ccccc1C(C)(C)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826305997 608558673 /nfs/dbraw/zinc/55/86/73/608558673.db2.gz NVTFNERHNQVPQQ-UHFFFAOYSA-N -1 1 382.472 1.849 20 0 GDADMM Cc1ccccc1C(C)(C)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826305997 608558675 /nfs/dbraw/zinc/55/86/75/608558675.db2.gz NVTFNERHNQVPQQ-UHFFFAOYSA-N -1 1 382.472 1.849 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C1=NO[C@H](c2ccccc2)C1 ZINC000825923282 608559237 /nfs/dbraw/zinc/55/92/37/608559237.db2.gz FNVYIYQJDLZHAF-AWEZNQCLSA-N -1 1 395.427 1.081 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C1=NO[C@H](c2ccccc2)C1 ZINC000825923282 608559238 /nfs/dbraw/zinc/55/92/38/608559238.db2.gz FNVYIYQJDLZHAF-AWEZNQCLSA-N -1 1 395.427 1.081 20 0 GDADMM Cc1ccsc1CCCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826316249 608559847 /nfs/dbraw/zinc/55/98/47/608559847.db2.gz IKTKERWUMVILDK-UHFFFAOYSA-N -1 1 388.501 1.956 20 0 GDADMM Cc1ccsc1CCCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826316249 608559849 /nfs/dbraw/zinc/55/98/49/608559849.db2.gz IKTKERWUMVILDK-UHFFFAOYSA-N -1 1 388.501 1.956 20 0 GDADMM COc1cccc(C(=O)N2CCN(Cc3ccc(-c4nnn[n-]4)o3)CC2)c1OC ZINC000826213930 608635977 /nfs/dbraw/zinc/63/59/77/608635977.db2.gz SGUZVLIYQIXHMD-UHFFFAOYSA-N -1 1 398.423 1.435 20 0 GDADMM COc1cccc(C(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)o3)CC2)c1OC ZINC000826213930 608635982 /nfs/dbraw/zinc/63/59/82/608635982.db2.gz SGUZVLIYQIXHMD-UHFFFAOYSA-N -1 1 398.423 1.435 20 0 GDADMM COc1ccc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)nn1 ZINC000826187538 609290690 /nfs/dbraw/zinc/29/06/90/609290690.db2.gz VJUJQUWPIFHGHT-UHFFFAOYSA-N -1 1 381.331 1.242 20 0 GDADMM C[C@@H]1CCC[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)[C@H]1C ZINC000824927270 609298640 /nfs/dbraw/zinc/29/86/40/609298640.db2.gz NKBMLSQJUOLBIV-WOPDTQHZSA-N -1 1 375.481 1.571 20 0 GDADMM C[C@@H]1CCC[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)[C@H]1C ZINC000824927270 609298641 /nfs/dbraw/zinc/29/86/41/609298641.db2.gz NKBMLSQJUOLBIV-WOPDTQHZSA-N -1 1 375.481 1.571 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCC1(c2ccccc2)CC1 ZINC000825929406 609299043 /nfs/dbraw/zinc/29/90/43/609299043.db2.gz FLEQUMPHUGBDMN-UHFFFAOYSA-N -1 1 395.471 1.478 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCC1(c2ccccc2)CC1 ZINC000825929406 609299045 /nfs/dbraw/zinc/29/90/45/609299045.db2.gz FLEQUMPHUGBDMN-UHFFFAOYSA-N -1 1 395.471 1.478 20 0 GDADMM C[C@@H]1C[C@@H]1c1ccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)o1 ZINC000824900914 609300305 /nfs/dbraw/zinc/30/03/05/609300305.db2.gz WPDOAMCKDJMFLQ-PWSUYJOCSA-N -1 1 399.459 1.663 20 0 GDADMM C[C@@H]1C[C@@H]1c1ccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)o1 ZINC000824900914 609300308 /nfs/dbraw/zinc/30/03/08/609300308.db2.gz WPDOAMCKDJMFLQ-PWSUYJOCSA-N -1 1 399.459 1.663 20 0 GDADMM CC[C@H](Cc1ccccc1)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825125636 609302017 /nfs/dbraw/zinc/30/20/17/609302017.db2.gz FGZQJTGNSYCYKI-CQSZACIVSA-N -1 1 397.487 1.767 20 0 GDADMM CC[C@H](Cc1ccccc1)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825125636 609302019 /nfs/dbraw/zinc/30/20/19/609302019.db2.gz FGZQJTGNSYCYKI-CQSZACIVSA-N -1 1 397.487 1.767 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NC/C=C/c1ccccc1 ZINC000825929815 609302878 /nfs/dbraw/zinc/30/28/78/609302878.db2.gz KEPBGXSQWONVJS-WEVVVXLNSA-N -1 1 381.444 1.459 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NC/C=C/c1ccccc1 ZINC000825929815 609302879 /nfs/dbraw/zinc/30/28/79/609302879.db2.gz KEPBGXSQWONVJS-WEVVVXLNSA-N -1 1 381.444 1.459 20 0 GDADMM Cc1ccc([C@H](C)CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000826283303 609303373 /nfs/dbraw/zinc/30/33/73/609303373.db2.gz ODKKFCJECPDXHG-CYBMUJFWSA-N -1 1 397.487 1.858 20 0 GDADMM Cc1ccc([C@H](C)CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000826283303 609303375 /nfs/dbraw/zinc/30/33/75/609303375.db2.gz ODKKFCJECPDXHG-CYBMUJFWSA-N -1 1 397.487 1.858 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCC[C@H](OC(F)F)C1 ZINC000826495366 609318847 /nfs/dbraw/zinc/31/88/47/609318847.db2.gz NAVSWVIZDRRNFN-QMMMGPOBSA-N -1 1 393.803 1.912 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCC[C@H](OC(F)F)C1 ZINC000826495366 609318850 /nfs/dbraw/zinc/31/88/50/609318850.db2.gz NAVSWVIZDRRNFN-QMMMGPOBSA-N -1 1 393.803 1.912 20 0 GDADMM CC[C@H](O)CCCNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825155040 609360410 /nfs/dbraw/zinc/36/04/10/609360410.db2.gz XTHOSNVASYCUQX-NSHDSACASA-N -1 1 388.407 1.864 20 0 GDADMM O=C(NCCOCC1CC1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826438587 609362139 /nfs/dbraw/zinc/36/21/39/609362139.db2.gz JFIFEQKIZHWUDR-UHFFFAOYSA-N -1 1 386.391 1.740 20 0 GDADMM O=S(=O)(Nc1ccccc1)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826493196 609366383 /nfs/dbraw/zinc/36/63/83/609366383.db2.gz XUPCMRXDSNODRG-CYBMUJFWSA-N -1 1 386.441 1.067 20 0 GDADMM O=S(=O)(Nc1ccccc1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826493196 609366386 /nfs/dbraw/zinc/36/63/86/609366386.db2.gz XUPCMRXDSNODRG-CYBMUJFWSA-N -1 1 386.441 1.067 20 0 GDADMM O=S(=O)(Nc1ccccc1)[C@@H]1CCCN(Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC000826493034 609410688 /nfs/dbraw/zinc/41/06/88/609410688.db2.gz PNHJTTNSSWJTEB-OAHLLOKOSA-N -1 1 388.453 1.866 20 0 GDADMM Cc1cc(N(C)C(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)ccn1 ZINC000826268854 609436035 /nfs/dbraw/zinc/43/60/35/609436035.db2.gz QBARCRGBVDIHFT-UHFFFAOYSA-N -1 1 391.439 1.825 20 0 GDADMM Cc1cc(N(C)C(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)ccn1 ZINC000826268854 609436037 /nfs/dbraw/zinc/43/60/37/609436037.db2.gz QBARCRGBVDIHFT-UHFFFAOYSA-N -1 1 391.439 1.825 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(Oc3cccnc3)nc2)c1-c1nnn[n-]1 ZINC000826348708 609469663 /nfs/dbraw/zinc/46/96/63/609469663.db2.gz AIMIQWGUVJOEMY-UHFFFAOYSA-N -1 1 378.352 1.927 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(Oc3cccnc3)nc2)c1-c1nn[n-]n1 ZINC000826348708 609469664 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O=C(c1ccccc1I)N1CCOC[C@H]1c1nn[n-]n1 ZINC000738277800 654654394 /nfs/dbraw/zinc/65/43/94/654654394.db2.gz FYKQNVIOCDTLDQ-JTQLQIEISA-N -1 1 385.165 1.018 20 0 GDADMM COC(=O)c1cc(NC(=O)CCn2cc[n-]c(=O)c2=O)ccc1Br ZINC000775198188 654661579 /nfs/dbraw/zinc/66/15/79/654661579.db2.gz UHWCLFKCIYWPKU-UHFFFAOYSA-N -1 1 396.197 1.115 20 0 GDADMM COc1ccc(Cl)cc1NCCC(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000776566972 654696123 /nfs/dbraw/zinc/69/61/23/654696123.db2.gz YWTAFFFDIVXIJM-LBPRGKRZSA-N -1 1 382.877 1.980 20 0 GDADMM O=C([O-])[C@@H](NS(=O)(=O)c1c(F)cc(F)cc1F)[C@@H](O)c1ccccc1 ZINC000776601209 654698820 /nfs/dbraw/zinc/69/88/20/654698820.db2.gz LCQYKYRXEMMBJP-STQMWFEESA-N -1 1 375.324 1.569 20 0 GDADMM COC[C@H]([N-]S(=O)(=O)/C=C/c1ccccc1Br)C(=O)OC ZINC000778067737 654730897 /nfs/dbraw/zinc/73/08/97/654730897.db2.gz KKZJRFUKRIQQKX-GUOLPTJISA-N -1 1 378.244 1.527 20 0 GDADMM CS(=O)(=O)c1n[n-]c(NC(=O)c2cnc3ncc(Br)cc3c2)n1 ZINC000682031487 654746272 /nfs/dbraw/zinc/74/62/72/654746272.db2.gz 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O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1cc[nH]c(=O)c1Br ZINC000683680806 654782381 /nfs/dbraw/zinc/78/23/81/654782381.db2.gz MCLLGOMBNSBQTH-LLVKDONJSA-N -1 1 375.186 1.582 20 0 GDADMM Cn1nncc1S(=O)(=O)[N-][C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F ZINC000684587332 654801168 /nfs/dbraw/zinc/80/11/68/654801168.db2.gz XGNOXWCLBDKFDZ-JTQLQIEISA-N -1 1 386.302 1.998 20 0 GDADMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1c(C)nn(C)c1Cl)[C@H]1CCCOC1 ZINC000781408707 654805213 /nfs/dbraw/zinc/80/52/13/654805213.db2.gz DGFUEMVYRDNPPX-WDEREUQCSA-N -1 1 379.866 1.019 20 0 GDADMM COCC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(Br)c2F)C1 ZINC000684907219 654808024 /nfs/dbraw/zinc/80/80/24/654808024.db2.gz GFTWUOUMZZFNQR-LLVKDONJSA-N -1 1 395.294 1.977 20 0 GDADMM NC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)NCC3)c1 ZINC000685001211 654810907 /nfs/dbraw/zinc/81/09/07/654810907.db2.gz SFVVTVBEBVLRMF-UHFFFAOYSA-N -1 1 379.825 1.526 20 0 GDADMM CCN1CC[C@@H]([N-]S(=O)(=O)c2cc(Br)cnc2Cl)C1=O ZINC000709055259 654834451 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COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]CC[C@H](O)C(F)(F)F ZINC000751406186 654887128 /nfs/dbraw/zinc/88/71/28/654887128.db2.gz RJCWZJAYWSCUIT-ZETCQYMHSA-N -1 1 376.740 1.113 20 0 GDADMM O=C(CCn1cc[n-]c(=O)c1=O)N(Cc1csc(Br)c1)C1CC1 ZINC000752378568 654927025 /nfs/dbraw/zinc/92/70/25/654927025.db2.gz VJABTWUPYODIDN-UHFFFAOYSA-N -1 1 398.282 1.942 20 0 GDADMM CCN(CC[N-]S(=O)(=O)c1ccc(C(=O)OC)o1)C(=O)OC(C)(C)C ZINC000730813532 654937313 /nfs/dbraw/zinc/93/73/13/654937313.db2.gz JGCZIXVDKNAEHB-UHFFFAOYSA-N -1 1 376.431 1.602 20 0 GDADMM Cn1cnc(S(=O)(=O)[N-]C[C@H](Cc2ccccc2Cl)C(N)=O)c1Cl ZINC000730815871 654937703 /nfs/dbraw/zinc/93/77/03/654937703.db2.gz LVHLJKYNQOAMEC-JTQLQIEISA-N -1 1 391.280 1.349 20 0 GDADMM O=C1[C@@H]([N-]S(=O)(=O)c2c[nH]nc2Cl)CCN1CCCc1ccccc1 ZINC000830799580 654959255 /nfs/dbraw/zinc/95/92/55/654959255.db2.gz QTTAWDIUKLCUBD-ZDUSSCGKSA-N -1 1 382.873 1.575 20 0 GDADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC(O)(C(C)C)C2)c(F)c1 ZINC000831242778 654977711 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GDADMM Cc1nc(S(=O)(=O)[N-]CCN2Cc3ccccc3C2)c(Br)n1C ZINC000804967959 655006117 /nfs/dbraw/zinc/00/61/17/655006117.db2.gz NGPBOQHTMJCFCJ-UHFFFAOYSA-N -1 1 399.314 1.785 20 0 GDADMM Cc1nc(S(=O)(=O)[N-]CC(C)(C)[C@@H](O)C(C)C)c(Br)n1C ZINC000805047273 655016271 /nfs/dbraw/zinc/01/62/71/655016271.db2.gz UNQRNHKWOKAGGN-JTQLQIEISA-N -1 1 382.324 1.812 20 0 GDADMM C[N-]S(=O)(=O)c1cc(C(=O)OCC(=O)Nc2cc(Cl)ccc2C)co1 ZINC000756392976 655019311 /nfs/dbraw/zinc/01/93/11/655019311.db2.gz DOBQIUMYCCMTJZ-UHFFFAOYSA-N -1 1 386.813 1.945 20 0 GDADMM CCCCCCn1cc(S(=O)(=O)[N-]C[C@@H]2CCCSC2)c(=O)[nH]c1=O ZINC000805139387 655028714 /nfs/dbraw/zinc/02/87/14/655028714.db2.gz SDXHFQAIIAFARY-ZDUSSCGKSA-N -1 1 389.543 1.951 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)Cc2cnn(C)c2)c(F)cc1Cl ZINC000832463285 655032122 /nfs/dbraw/zinc/03/21/22/655032122.db2.gz WFCDNSJOJAMYLA-VIFPVBQESA-N -1 1 389.836 1.909 20 0 GDADMM C[C@H](COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)CS(C)(=O)=O ZINC000757992023 655049103 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GWSWNTBUILOWAX-KKUMJFAQSA-N -1 1 385.436 1.970 20 0 GDADMM CCO[C@@H]1C[C@](NC(=O)N[C@@H]2CCCN3CCSC[C@H]23)(C(=O)[O-])C1(C)C ZINC000929066605 939809913 /nfs/dbraw/zinc/80/99/13/939809913.db2.gz YZDFBOUNMWJICW-MMQJMDILSA-N -1 1 385.530 1.524 20 0 GDADMM CO[C@@H]1CCC[C@H]([C@@H](NC(=O)C2CCC(N3CCOCC3)CC2)C(=O)[O-])C1 ZINC001119645411 939816098 /nfs/dbraw/zinc/81/60/98/939816098.db2.gz QXZVRKWNQOWGTB-PCNFGOCFSA-N -1 1 382.501 1.652 20 0 GDADMM COc1ccc(O)c(C(=O)N=c2[n-]c(C)nn2-c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000737105442 944960064 /nfs/dbraw/zinc/96/00/64/944960064.db2.gz GOBOQJVKZPZXDG-UHFFFAOYSA-N -1 1 392.379 1.144 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)c3ccns3)[C@H](C)C2)n1 ZINC001571261143 945422532 /nfs/dbraw/zinc/42/25/32/945422532.db2.gz BBBIWOVETPADCK-GHMZBOCLSA-N -1 1 385.457 1.527 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)c3ccns3)[C@H](C)C2)n1 ZINC001571261143 945422538 /nfs/dbraw/zinc/42/25/38/945422538.db2.gz BBBIWOVETPADCK-GHMZBOCLSA-N -1 1 385.457 1.527 20 0 GDADMM Cc1nsc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H](C)c2ccco2)c1-c1nn[n-]n1 ZINC001571261285 945424338 /nfs/dbraw/zinc/42/43/38/945424338.db2.gz CQFAMHNDZAKIAQ-HJUHTLPRSA-N -1 1 385.453 1.579 20 0 GDADMM C[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CN1C(=O)CCc1nccs1 ZINC001571262801 945444526 /nfs/dbraw/zinc/44/45/26/945444526.db2.gz YLSKMJQSMAKRAQ-MNOVXSKESA-N -1 1 385.457 1.147 20 0 GDADMM C[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CN1C(=O)CCc1nccs1 ZINC001571262801 945444530 /nfs/dbraw/zinc/44/45/30/945444530.db2.gz YLSKMJQSMAKRAQ-MNOVXSKESA-N -1 1 385.457 1.147 20 0 GDADMM Cc1nsc(N2CCCN(C(=O)c3ccc(C)nn3)CC2)c1-c1nn[n-]n1 ZINC001571262951 945446274 /nfs/dbraw/zinc/44/62/74/945446274.db2.gz CVXSXXUWVFKVIC-UHFFFAOYSA-N -1 1 385.457 1.083 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@@H]2CN(C)c2cnc(-c3nnn[n-]3)cn2)ns1 ZINC001571263417 945457498 /nfs/dbraw/zinc/45/74/98/945457498.db2.gz PLWDSFCVKAMRMV-LLVKDONJSA-N -1 1 385.457 1.163 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@@H]2CN(C)c2cnc(-c3nn[n-]n3)cn2)ns1 ZINC001571263417 945457502 /nfs/dbraw/zinc/45/75/02/945457502.db2.gz PLWDSFCVKAMRMV-LLVKDONJSA-N -1 1 385.457 1.163 20 0 GDADMM Cc1nscc1C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001571263410 945458232 /nfs/dbraw/zinc/45/82/32/945458232.db2.gz PDVAUFGSTFEYAD-SKDRFNHKSA-N -1 1 385.457 1.384 20 0 GDADMM Cc1nscc1C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001571263410 945458238 /nfs/dbraw/zinc/45/82/38/945458238.db2.gz PDVAUFGSTFEYAD-SKDRFNHKSA-N -1 1 385.457 1.384 20 0 GDADMM O=C(c1cscn1)N1CCCC[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001571263609 945463862 /nfs/dbraw/zinc/46/38/62/945463862.db2.gz UWVJMMGREHMUCM-NSHDSACASA-N -1 1 385.457 1.610 20 0 GDADMM O=C(c1cscn1)N1CCCC[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001571263609 945463868 /nfs/dbraw/zinc/46/38/68/945463868.db2.gz UWVJMMGREHMUCM-NSHDSACASA-N -1 1 385.457 1.610 20 0 GDADMM Cc1nsc(N[C@H]2CN(C(=O)c3ccnc(C)n3)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571263693 945465144 /nfs/dbraw/zinc/46/51/44/945465144.db2.gz WWUMWOZJXMXAIP-PELKAZGASA-N -1 1 385.457 1.303 20 0 GDADMM C[C@H]1CN(C(=O)c2cncc(Cl)c2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571265538 945513995 /nfs/dbraw/zinc/51/39/95/945513995.db2.gz LIPCSGPDTBMJPJ-TVQRCGJNSA-N -1 1 385.819 1.278 20 0 GDADMM C[C@H]1CN(C(=O)c2cncc(Cl)c2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571265538 945514002 /nfs/dbraw/zinc/51/40/02/945514002.db2.gz LIPCSGPDTBMJPJ-TVQRCGJNSA-N -1 1 385.819 1.278 20 0 GDADMM Cc1cc(F)c(C(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)c(F)c1 ZINC001571266940 945556013 /nfs/dbraw/zinc/55/60/13/945556013.db2.gz CWKXXHMTOZBMRH-AOOOYVTPSA-N -1 1 386.366 1.616 20 0 GDADMM Cc1cc(F)c(C(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)c(F)c1 ZINC001571266940 945556024 /nfs/dbraw/zinc/55/60/24/945556024.db2.gz CWKXXHMTOZBMRH-AOOOYVTPSA-N -1 1 386.366 1.616 20 0 GDADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCN(C(=O)c2c(F)cccc2F)C1 ZINC001571267082 945561983 /nfs/dbraw/zinc/56/19/83/945561983.db2.gz ITDKLZFYMSFWRU-SNVBAGLBSA-N -1 1 386.366 1.286 20 0 GDADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCN(C(=O)c2c(F)cccc2F)C1 ZINC001571267082 945561987 /nfs/dbraw/zinc/56/19/87/945561987.db2.gz ITDKLZFYMSFWRU-SNVBAGLBSA-N -1 1 386.366 1.286 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)c3cc(F)ccc3F)C2)n1 ZINC001571267188 945563171 /nfs/dbraw/zinc/56/31/71/945563171.db2.gz MABASQOFFJUFNZ-NSHDSACASA-N -1 1 386.366 1.252 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)c3cc(F)ccc3F)C2)n1 ZINC001571267188 945563180 /nfs/dbraw/zinc/56/31/80/945563180.db2.gz MABASQOFFJUFNZ-NSHDSACASA-N -1 1 386.366 1.252 20 0 GDADMM O=C(Cc1ccc(F)c(F)c1)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571267325 945566539 /nfs/dbraw/zinc/56/65/39/945566539.db2.gz QOKSGRAGKIEIJY-NSHDSACASA-N -1 1 386.366 1.190 20 0 GDADMM O=C(Cc1ccc(F)c(F)c1)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571267325 945566546 /nfs/dbraw/zinc/56/65/46/945566546.db2.gz QOKSGRAGKIEIJY-NSHDSACASA-N -1 1 386.366 1.190 20 0 GDADMM O=C(N[C@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2)C1(F)CCCC1 ZINC001571269403 945619482 /nfs/dbraw/zinc/61/94/82/945619482.db2.gz XLVCVZMASDKRKV-ZDUSSCGKSA-N -1 1 386.435 1.414 20 0 GDADMM O=C(N[C@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2)C1(F)CCCC1 ZINC001571269403 945619486 /nfs/dbraw/zinc/61/94/86/945619486.db2.gz XLVCVZMASDKRKV-ZDUSSCGKSA-N -1 1 386.435 1.414 20 0 GDADMM CN(c1nccnc1-c1nnn[n-]1)[C@@H]1CCCN(C(=O)CC[C@H]2CCCO2)C1 ZINC001571272226 945657578 /nfs/dbraw/zinc/65/75/78/945657578.db2.gz BKYYDFSCMZGOBH-ZIAGYGMSSA-N -1 1 386.460 1.043 20 0 GDADMM CN(c1nccnc1-c1nn[n-]n1)[C@@H]1CCCN(C(=O)CC[C@H]2CCCO2)C1 ZINC001571272226 945657579 /nfs/dbraw/zinc/65/75/79/945657579.db2.gz BKYYDFSCMZGOBH-ZIAGYGMSSA-N -1 1 386.460 1.043 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCCCO2)n1 ZINC001571273209 945681783 /nfs/dbraw/zinc/68/17/83/945681783.db2.gz SROOXCMLFBUXBQ-NFAWXSAZSA-N -1 1 386.460 1.374 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CCCCO2)n1 ZINC001571273209 945681788 /nfs/dbraw/zinc/68/17/88/945681788.db2.gz SROOXCMLFBUXBQ-NFAWXSAZSA-N -1 1 386.460 1.374 20 0 GDADMM O=C(CC1CCCCC1)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571273519 945691440 /nfs/dbraw/zinc/69/14/40/945691440.db2.gz YXIPDYLHLOHJIB-AWEZNQCLSA-N -1 1 386.460 1.266 20 0 GDADMM O=C(CC1CCCCC1)N1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571273519 945691445 /nfs/dbraw/zinc/69/14/45/945691445.db2.gz YXIPDYLHLOHJIB-AWEZNQCLSA-N -1 1 386.460 1.266 20 0 GDADMM CCOc1ccccc1OCCn1cc(C(=O)OC)cc(-c2nn[n-]n2)c1=O ZINC000821436929 945695362 /nfs/dbraw/zinc/69/53/62/945695362.db2.gz HRBDPZSBGZHSDS-UHFFFAOYSA-N -1 1 385.380 1.293 20 0 GDADMM CCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCN(C(=O)[C@@H]2CCO[C@@H]2C)CC1 ZINC001571276574 945731954 /nfs/dbraw/zinc/73/19/54/945731954.db2.gz ITTHRSOOHXZTBT-CHWSQXEVSA-N -1 1 386.460 1.265 20 0 GDADMM CCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCN(C(=O)[C@@H]2CCO[C@@H]2C)CC1 ZINC001571276574 945731959 /nfs/dbraw/zinc/73/19/59/945731959.db2.gz ITTHRSOOHXZTBT-CHWSQXEVSA-N -1 1 386.460 1.265 20 0 GDADMM CCOC1CC(CC(=O)N2CC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001571276618 945734118 /nfs/dbraw/zinc/73/41/18/945734118.db2.gz JRWMBOHVZOXVEI-HSBZDZAISA-N -1 1 386.460 1.122 20 0 GDADMM CCOC1CC(CC(=O)N2CC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001571276618 945734124 /nfs/dbraw/zinc/73/41/24/945734124.db2.gz JRWMBOHVZOXVEI-HSBZDZAISA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)CN1C(=O)CCC1CCOCC1 ZINC001571278417 945753937 /nfs/dbraw/zinc/75/39/37/945753937.db2.gz NCAMVBYWDIPFQL-JSGCOSHPSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)CN1C(=O)CCC1CCOCC1 ZINC001571278417 945753946 /nfs/dbraw/zinc/75/39/46/945753946.db2.gz NCAMVBYWDIPFQL-JSGCOSHPSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H]1COCC[C@H]1C(=O)N[C@H]1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571279367 945775339 /nfs/dbraw/zinc/77/53/39/945775339.db2.gz VUOXIRXVDZKOGR-AAVRWANBSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@@H]1COCC[C@H]1C(=O)N[C@H]1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571279367 945775342 /nfs/dbraw/zinc/77/53/42/945775342.db2.gz VUOXIRXVDZKOGR-AAVRWANBSA-N -1 1 386.460 1.169 20 0 GDADMM CCc1n[nH]cc1C(=O)N1CCCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001571281363 945803190 /nfs/dbraw/zinc/80/31/90/945803190.db2.gz HBAQPMROZFSRSA-UHFFFAOYSA-N -1 1 387.473 1.270 20 0 GDADMM Cc1nsc(NC[C@H]2CC[C@H](NC(=O)Cc3cc[nH]n3)C2)c1-c1nn[n-]n1 ZINC001571281919 945821256 /nfs/dbraw/zinc/82/12/56/945821256.db2.gz PSXLLSOWYQJDPG-QWRGUYRKSA-N -1 1 387.473 1.294 20 0 GDADMM Cc1nc(C)c(C(=O)N2CC[C@H](N(C)c3snc(C)c3-c3nn[n-]n3)C2)[nH]1 ZINC001571282224 945835215 /nfs/dbraw/zinc/83/52/15/945835215.db2.gz VDTIDYFYPWQGRH-NSHDSACASA-N -1 1 387.473 1.322 20 0 GDADMM CCn1cc(C(=O)N2CC[C@@H](Nc3snc(C)c3-c3nn[n-]n3)[C@@H]2C)cn1 ZINC001571282485 945846296 /nfs/dbraw/zinc/84/62/96/945846296.db2.gz ZXDZOBHPCKUXTA-CMPLNLGQSA-N -1 1 387.473 1.563 20 0 GDADMM C[C@@H]1CN(C(=O)c2cc(Cl)c[nH]2)CC[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571283707 945889692 /nfs/dbraw/zinc/88/96/92/945889692.db2.gz HGSUWNAEYGVTQC-KOLCDFICSA-N -1 1 387.835 1.601 20 0 GDADMM C[C@@H]1CN(C(=O)c2cc(Cl)c[nH]2)CC[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571283707 945889705 /nfs/dbraw/zinc/88/97/05/945889705.db2.gz HGSUWNAEYGVTQC-KOLCDFICSA-N -1 1 387.835 1.601 20 0 GDADMM C[C@@H]1CC[C@H](NC(=O)c2ccc(Cl)[nH]2)CN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571285061 945911161 /nfs/dbraw/zinc/91/11/61/945911161.db2.gz XSOKTIATMJNFPV-ZJUUUORDSA-N -1 1 387.835 1.426 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC[C@H](O)c2ccccc2F)cc1-c1nn[n-]n1 ZINC000821977275 945911700 /nfs/dbraw/zinc/91/17/00/945911700.db2.gz FIGXHUGZEQLPQX-LBPRGKRZSA-N -1 1 390.400 1.292 20 0 GDADMM COc1ncc(NC(=O)C[C@H](NC(N)=O)c2cccs2)cc1-c1nn[n-]n1 ZINC001571286230 945940344 /nfs/dbraw/zinc/94/03/44/945940344.db2.gz BQMDOJSAGBDIPW-JTQLQIEISA-N -1 1 388.413 1.070 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@H]2C(=O)Nc2c[nH]nc2-c2nn[n-]n2)C1 ZINC001571286334 945944640 /nfs/dbraw/zinc/94/46/40/945944640.db2.gz FCFYJJSPQKYTCM-DYZYQPBXSA-N -1 1 388.432 1.566 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@]2(C[C@@H]2C(=O)Nc2c[nH]nc2-c2nn[n-]n2)C1 ZINC001571286335 945945420 /nfs/dbraw/zinc/94/54/20/945945420.db2.gz FCFYJJSPQKYTCM-QGHHPUGFSA-N -1 1 388.432 1.566 20 0 GDADMM O=C(N[C@@H]1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)c1sccc1F ZINC001571286749 945958337 /nfs/dbraw/zinc/95/83/37/945958337.db2.gz QRGMLAVJORNKOI-NXEZZACHSA-N -1 1 388.432 1.868 20 0 GDADMM O=C(N[C@@H]1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)c1sccc1F ZINC001571286749 945958348 /nfs/dbraw/zinc/95/83/48/945958348.db2.gz QRGMLAVJORNKOI-NXEZZACHSA-N -1 1 388.432 1.868 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCN(C(=O)c3ccc(F)s3)C2)n1 ZINC001571286846 945960464 /nfs/dbraw/zinc/96/04/64/945960464.db2.gz SYJIWLJNHLOMHU-SNVBAGLBSA-N -1 1 388.432 1.882 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCN(C(=O)c3ccc(F)s3)C2)n1 ZINC001571286846 945960471 /nfs/dbraw/zinc/96/04/71/945960471.db2.gz SYJIWLJNHLOMHU-SNVBAGLBSA-N -1 1 388.432 1.882 20 0 GDADMM O=C(N[C@@H]1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1sccc1F ZINC001571288966 945995493 /nfs/dbraw/zinc/99/54/93/945995493.db2.gz VOCLTNHVPRVCCA-NXEZZACHSA-N -1 1 388.432 1.432 20 0 GDADMM Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1CCCN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571289438 946006117 /nfs/dbraw/zinc/00/61/17/946006117.db2.gz DKZOSKJWXJZKKV-JTQLQIEISA-N -1 1 388.457 1.060 20 0 GDADMM CCc1nc(C(=O)NC2CCN(c3snc(C)c3-c3nn[n-]n3)CC2)co1 ZINC001571289468 946006907 /nfs/dbraw/zinc/00/69/07/946006907.db2.gz FKWNHLGBGTYFBH-UHFFFAOYSA-N -1 1 388.457 1.581 20 0 GDADMM CC1(C)CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1NC(=O)c1ccoc1Cl ZINC001571290318 946038288 /nfs/dbraw/zinc/03/82/88/946038288.db2.gz AKAABBZHHQEVLC-LLVKDONJSA-N -1 1 388.819 1.548 20 0 GDADMM CC1(C)CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)c1ccoc1Cl ZINC001571290318 946038302 /nfs/dbraw/zinc/03/83/02/946038302.db2.gz AKAABBZHHQEVLC-LLVKDONJSA-N -1 1 388.819 1.548 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@](C)(NC(=O)c3occc3Cl)C2)n1 ZINC001571290611 946047111 /nfs/dbraw/zinc/04/71/11/946047111.db2.gz KEWXCDVGXDJPDU-INIZCTEOSA-N -1 1 388.819 1.610 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@](C)(NC(=O)c3occc3Cl)C2)n1 ZINC001571290611 946047126 /nfs/dbraw/zinc/04/71/26/946047126.db2.gz KEWXCDVGXDJPDU-INIZCTEOSA-N -1 1 388.819 1.610 20 0 GDADMM COc1ncc(NC(=O)[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)cc1-c1nn[n-]n1 ZINC001571291407 946074782 /nfs/dbraw/zinc/07/47/82/946074782.db2.gz JASDFTNMVVYFNG-ONGXEEELSA-N -1 1 389.416 1.370 20 0 GDADMM Cc1cnc(CN2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)o1 ZINC000822388819 946077687 /nfs/dbraw/zinc/07/76/87/946077687.db2.gz CCQDDWWLSCIZHD-UHFFFAOYSA-N -1 1 382.384 1.733 20 0 GDADMM COc1cc([C@@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)ccc1S(C)(=O)=O ZINC001571293243 946098167 /nfs/dbraw/zinc/09/81/67/946098167.db2.gz CBIQQKMRFDQSAV-SNVBAGLBSA-N -1 1 389.441 1.550 20 0 GDADMM COc1cc([C@@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)ccc1S(C)(=O)=O ZINC001571293243 946098177 /nfs/dbraw/zinc/09/81/77/946098177.db2.gz CBIQQKMRFDQSAV-SNVBAGLBSA-N -1 1 389.441 1.550 20 0 GDADMM O=C(NCc1nc(C(F)F)no1)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001571294209 946128062 /nfs/dbraw/zinc/12/80/62/946128062.db2.gz AYEZSKSIXLKZOS-UHFFFAOYSA-N -1 1 390.232 1.531 20 0 GDADMM O=C(Cc1ccccc1)N[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571294656 946141230 /nfs/dbraw/zinc/14/12/30/946141230.db2.gz KWNDDMTYSFXQBB-LLVKDONJSA-N -1 1 389.872 1.914 20 0 GDADMM O=C(NC[C@]12CCC[C@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2)[C@H]1CC1(F)F ZINC001571294928 946148218 /nfs/dbraw/zinc/14/82/18/946148218.db2.gz PYUJYFLFBAWVDH-NSODJVPESA-N -1 1 390.398 1.177 20 0 GDADMM O=C(NC[C@]12CCC[C@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2)[C@H]1CC1(F)F ZINC001571294928 946148224 /nfs/dbraw/zinc/14/82/24/946148224.db2.gz PYUJYFLFBAWVDH-NSODJVPESA-N -1 1 390.398 1.177 20 0 GDADMM O=C(N[C@@H]1CCCC[C@H]1Nc1cncc(-c2nnn[n-]2)n1)[C@H]1Cc2ccccc21 ZINC001571298045 946203839 /nfs/dbraw/zinc/20/38/39/946203839.db2.gz IDGYPIOOSLJNRR-ARFHVFGLSA-N -1 1 390.451 1.836 20 0 GDADMM O=C(N[C@@H]1CCCC[C@H]1Nc1cncc(-c2nn[n-]n2)n1)[C@H]1Cc2ccccc21 ZINC001571298045 946203844 /nfs/dbraw/zinc/20/38/44/946203844.db2.gz IDGYPIOOSLJNRR-ARFHVFGLSA-N -1 1 390.451 1.836 20 0 GDADMM O=C(N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)[C@H]1CCCc2ccccc21 ZINC001571298011 946204025 /nfs/dbraw/zinc/20/40/25/946204025.db2.gz GYZVIFRVOMPZGP-ZBFHGGJFSA-N -1 1 390.451 1.472 20 0 GDADMM O=C(N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)[C@H]1CCCc2ccccc21 ZINC001571298011 946204034 /nfs/dbraw/zinc/20/40/34/946204034.db2.gz GYZVIFRVOMPZGP-ZBFHGGJFSA-N -1 1 390.451 1.472 20 0 GDADMM O=C(NC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccc(C2CC2)cc1 ZINC001571298059 946204463 /nfs/dbraw/zinc/20/44/63/946204463.db2.gz IQTDITOZUPHIOL-ZDUSSCGKSA-N -1 1 390.451 1.790 20 0 GDADMM O=C(NC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccc(C2CC2)cc1 ZINC001571298059 946204472 /nfs/dbraw/zinc/20/44/72/946204472.db2.gz IQTDITOZUPHIOL-ZDUSSCGKSA-N -1 1 390.451 1.790 20 0 GDADMM Cc1cccc(C(=O)N2C[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@@]3(C)C2)c1 ZINC001571298172 946209053 /nfs/dbraw/zinc/20/90/53/946209053.db2.gz BGBFMAMMCCHIJL-QRWLVFNGSA-N -1 1 390.451 1.564 20 0 GDADMM O=C(C[C@H]1CCc2ccccc21)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571298460 946216967 /nfs/dbraw/zinc/21/69/67/946216967.db2.gz OIHKYABVFFKSID-CABCVRRESA-N -1 1 390.451 1.472 20 0 GDADMM O=C(C[C@H]1CCc2ccccc21)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571298460 946216979 /nfs/dbraw/zinc/21/69/79/946216979.db2.gz OIHKYABVFFKSID-CABCVRRESA-N -1 1 390.451 1.472 20 0 GDADMM C[C@H]1CN(C(=O)C2Cc3ccccc3C2)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571298565 946222679 /nfs/dbraw/zinc/22/26/79/946222679.db2.gz HBAFXIMWJIQVSY-SJCJKPOMSA-N -1 1 390.451 1.331 20 0 GDADMM C[C@H]1CN(C(=O)C2Cc3ccccc3C2)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571298565 946222690 /nfs/dbraw/zinc/22/26/90/946222690.db2.gz HBAFXIMWJIQVSY-SJCJKPOMSA-N -1 1 390.451 1.331 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)c1sccc1Cl ZINC001571298646 946225286 /nfs/dbraw/zinc/22/52/86/946225286.db2.gz BVVARCYCQUDATG-KYZUINATSA-N -1 1 390.860 1.992 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)c1sccc1Cl ZINC001571298646 946225301 /nfs/dbraw/zinc/22/53/01/946225301.db2.gz BVVARCYCQUDATG-KYZUINATSA-N -1 1 390.860 1.992 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC001571298770 946227143 /nfs/dbraw/zinc/22/71/43/946227143.db2.gz QSMHQXFDSDKDSY-DRPJVOAASA-N -1 1 390.451 1.767 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC001571298770 946227152 /nfs/dbraw/zinc/22/71/52/946227152.db2.gz QSMHQXFDSDKDSY-DRPJVOAASA-N -1 1 390.451 1.767 20 0 GDADMM O=C(NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccsc1Cl ZINC001571298811 946230347 /nfs/dbraw/zinc/23/03/47/946230347.db2.gz DUGLNHJIJFHRCO-KYZUINATSA-N -1 1 390.860 1.992 20 0 GDADMM O=C(NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccsc1Cl ZINC001571298811 946230358 /nfs/dbraw/zinc/23/03/58/946230358.db2.gz DUGLNHJIJFHRCO-KYZUINATSA-N -1 1 390.860 1.992 20 0 GDADMM O=C(Cc1ccccc1)N[C@@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2 ZINC001571298814 946230614 /nfs/dbraw/zinc/23/06/14/946230614.db2.gz RDZZPIAHNMJDNX-HUUCEWRRSA-N -1 1 390.451 1.161 20 0 GDADMM C[C@@H]1C[C@H]1C(=O)NCc1cccc2c1CCN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001571298821 946231170 /nfs/dbraw/zinc/23/11/70/946231170.db2.gz KWQQVLDSPJANHD-MLGOLLRUSA-N -1 1 390.451 1.492 20 0 GDADMM O=C(c1cccnc1)N1CC[C@H](CNc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571299029 946237178 /nfs/dbraw/zinc/23/71/78/946237178.db2.gz HLJBJIAFGRXSSP-SECBINFHSA-N -1 1 390.860 1.946 20 0 GDADMM O=C(c1cccnc1)N1CC[C@H](CNc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571299029 946237190 /nfs/dbraw/zinc/23/71/90/946237190.db2.gz HLJBJIAFGRXSSP-SECBINFHSA-N -1 1 390.860 1.946 20 0 GDADMM CN(C(=O)c1cscc1Cl)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571299126 946240244 /nfs/dbraw/zinc/24/02/44/946240244.db2.gz IXLRBSIPCZHEKT-SECBINFHSA-N -1 1 390.860 1.723 20 0 GDADMM CN(C(=O)c1cscc1Cl)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571299126 946240260 /nfs/dbraw/zinc/24/02/60/946240260.db2.gz IXLRBSIPCZHEKT-SECBINFHSA-N -1 1 390.860 1.723 20 0 GDADMM CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)c1ccccc1 ZINC001571299166 946240555 /nfs/dbraw/zinc/24/05/55/946240555.db2.gz OQQWQKSVEPISMB-HALDLXJZSA-N -1 1 390.451 1.185 20 0 GDADMM CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)c1ccccc1 ZINC001571299166 946240569 /nfs/dbraw/zinc/24/05/69/946240569.db2.gz OQQWQKSVEPISMB-HALDLXJZSA-N -1 1 390.451 1.185 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001571299237 946242298 /nfs/dbraw/zinc/24/22/98/946242298.db2.gz PPHVBTCPTMOFKB-CVEARBPZSA-N -1 1 390.451 1.849 20 0 GDADMM O=C(Nc1ccc(Br)c(-c2nnn[n-]2)n1)c1cc2n(n1)CCCO2 ZINC001571299954 946267930 /nfs/dbraw/zinc/26/79/30/946267930.db2.gz SDRXFVOUUDVZIO-UHFFFAOYSA-N -1 1 391.189 1.256 20 0 GDADMM O=C(Nc1ccc(Br)c(-c2nn[n-]n2)n1)c1cc2n(n1)CCCO2 ZINC001571299954 946267935 /nfs/dbraw/zinc/26/79/35/946267935.db2.gz SDRXFVOUUDVZIO-UHFFFAOYSA-N -1 1 391.189 1.256 20 0 GDADMM Cc1ccccc1C(=O)N1CCC[C@@H]2[C@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001571300006 946268556 /nfs/dbraw/zinc/26/85/56/946268556.db2.gz XYAAWARHKPTLHX-IAGOWNOFSA-N -1 1 390.451 1.849 20 0 GDADMM Cc1ccccc1C(=O)N1CCC[C@@H]2[C@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001571300006 946268565 /nfs/dbraw/zinc/26/85/65/946268565.db2.gz XYAAWARHKPTLHX-IAGOWNOFSA-N -1 1 390.451 1.849 20 0 GDADMM Cc1ccccc1C(=O)N1CCC[C@H]2[C@@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001571300007 946269404 /nfs/dbraw/zinc/26/94/04/946269404.db2.gz XYAAWARHKPTLHX-IRXDYDNUSA-N -1 1 390.451 1.849 20 0 GDADMM Cc1ccccc1C(=O)N1CCC[C@H]2[C@@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001571300007 946269414 /nfs/dbraw/zinc/26/94/14/946269414.db2.gz XYAAWARHKPTLHX-IRXDYDNUSA-N -1 1 390.451 1.849 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@H](CNC(=O)[C@H]3Cc4ccccc43)C2)n1 ZINC001571300121 946271607 /nfs/dbraw/zinc/27/16/07/946271607.db2.gz ZOISMMHKKDOOPP-NOLJZWGESA-N -1 1 390.451 1.612 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@H](CNC(=O)[C@H]3Cc4ccccc43)C2)n1 ZINC001571300121 946271619 /nfs/dbraw/zinc/27/16/19/946271619.db2.gz ZOISMMHKKDOOPP-NOLJZWGESA-N -1 1 390.451 1.612 20 0 GDADMM C[C@]1(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C[C@@H]1c1ccccc1 ZINC001571300144 946273776 /nfs/dbraw/zinc/27/37/76/946273776.db2.gz ZTWCIRJHLOQYBS-QRWLVFNGSA-N -1 1 390.451 1.499 20 0 GDADMM C[C@]1(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)C[C@@H]1c1ccccc1 ZINC001571300144 946273788 /nfs/dbraw/zinc/27/37/88/946273788.db2.gz ZTWCIRJHLOQYBS-QRWLVFNGSA-N -1 1 390.451 1.499 20 0 GDADMM CC(=O)NC1CCC(N(C)C(=O)Nc2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573491953 946290855 /nfs/dbraw/zinc/29/08/55/946290855.db2.gz BJIZGGAEGHDQII-UHFFFAOYSA-N -1 1 378.462 1.543 20 0 GDADMM CC(=O)NC1CCC(N(C)C(=O)Nc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573491953 946290860 /nfs/dbraw/zinc/29/08/60/946290860.db2.gz BJIZGGAEGHDQII-UHFFFAOYSA-N -1 1 378.462 1.543 20 0 GDADMM O=C(NC1CC(CNc2cnc(-c3nnn[n-]3)cn2)C1)c1cccnc1C1CC1 ZINC001571302646 946309799 /nfs/dbraw/zinc/30/97/99/946309799.db2.gz DIQKTSWNIPPCBJ-UHFFFAOYSA-N -1 1 391.439 1.550 20 0 GDADMM O=C(NC1CC(CNc2cnc(-c3nn[n-]n3)cn2)C1)c1cccnc1C1CC1 ZINC001571302646 946309812 /nfs/dbraw/zinc/30/98/12/946309812.db2.gz DIQKTSWNIPPCBJ-UHFFFAOYSA-N -1 1 391.439 1.550 20 0 GDADMM Cc1ccncc1C(=O)N[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2 ZINC001571302633 946310896 /nfs/dbraw/zinc/31/08/96/946310896.db2.gz CZQMOPAXFTVUDC-LSDHHAIUSA-N -1 1 391.439 1.513 20 0 GDADMM Cc1ccncc1C(=O)N[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2 ZINC001571302633 946310907 /nfs/dbraw/zinc/31/09/07/946310907.db2.gz CZQMOPAXFTVUDC-LSDHHAIUSA-N -1 1 391.439 1.513 20 0 GDADMM Cc1nc(C2CC2)ccc1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571303023 946323482 /nfs/dbraw/zinc/32/34/82/946323482.db2.gz JIPNJEKWQOAOHD-CYBMUJFWSA-N -1 1 391.439 1.246 20 0 GDADMM CC[C@@H](C(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1)N(C)C(=O)OC(C)(C)C ZINC001571303338 946333071 /nfs/dbraw/zinc/33/30/71/946333071.db2.gz KQUZYFRNFBJJEB-LBPRGKRZSA-N -1 1 391.432 1.854 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H]3CN(C(=O)c4ccccn4)CC[C@@H]32)n1 ZINC001571303479 946337656 /nfs/dbraw/zinc/33/76/56/946337656.db2.gz RTKXLQFMNUNHMH-BBRMVZONSA-N -1 1 391.439 1.101 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H]3CN(C(=O)c4ccccn4)CC[C@@H]32)n1 ZINC001571303479 946337668 /nfs/dbraw/zinc/33/76/68/946337668.db2.gz RTKXLQFMNUNHMH-BBRMVZONSA-N -1 1 391.439 1.101 20 0 GDADMM O=C(c1ccccn1)N1CCC[C@@H]2CN(c3nccnc3-c3nnn[n-]3)CC[C@H]21 ZINC001571303741 946347122 /nfs/dbraw/zinc/34/71/22/946347122.db2.gz WYNAITWLBNKPDP-UKRRQHHQSA-N -1 1 391.439 1.183 20 0 GDADMM O=C(c1ccccn1)N1CCC[C@@H]2CN(c3nccnc3-c3nn[n-]n3)CC[C@H]21 ZINC001571303741 946347129 /nfs/dbraw/zinc/34/71/29/946347129.db2.gz WYNAITWLBNKPDP-UKRRQHHQSA-N -1 1 391.439 1.183 20 0 GDADMM Cc1nsc(N2C[C@H](NC(=O)c3csnn3)CC[C@H]2C)c1-c1nn[n-]n1 ZINC001571305449 946364875 /nfs/dbraw/zinc/36/48/75/946364875.db2.gz BIQLTIRFPKEZCT-VXNVDRBHSA-N -1 1 391.486 1.270 20 0 GDADMM Cc1nsc(N2CCC(C)(NC(=O)[C@H]3C[C@@H](C)CO3)CC2)c1-c1nn[n-]n1 ZINC001571305584 946368044 /nfs/dbraw/zinc/36/80/44/946368044.db2.gz GDYMEDBPEUHNGK-ZYHUDNBSSA-N -1 1 391.501 1.532 20 0 GDADMM Cc1ncncc1C(=O)N1CC[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571305815 946376360 /nfs/dbraw/zinc/37/63/60/946376360.db2.gz KRFDJIAQDYTLJB-QMMMGPOBSA-N -1 1 391.848 1.402 20 0 GDADMM Cc1ncncc1C(=O)N1CC[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571305815 946376369 /nfs/dbraw/zinc/37/63/69/946376369.db2.gz KRFDJIAQDYTLJB-QMMMGPOBSA-N -1 1 391.848 1.402 20 0 GDADMM CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001571306259 946393719 /nfs/dbraw/zinc/39/37/19/946393719.db2.gz RMQMQGHXVOUYCE-RISCZKNCSA-N -1 1 391.501 1.765 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2C[C@@H](Nc3nc(Cl)c(-c4nnn[n-]4)s3)C2)nn1 ZINC001571306569 946404235 /nfs/dbraw/zinc/40/42/35/946404235.db2.gz XPDOWKKZVZIFEG-OCAPTIKFSA-N -1 1 391.848 1.448 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2C[C@@H](Nc3nc(Cl)c(-c4nn[n-]n4)s3)C2)nn1 ZINC001571306569 946404242 /nfs/dbraw/zinc/40/42/42/946404242.db2.gz XPDOWKKZVZIFEG-OCAPTIKFSA-N -1 1 391.848 1.448 20 0 GDADMM CC1(C)CC[C@@H](CNC(=O)[C@@H]2CC2(F)F)N(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571307239 946421220 /nfs/dbraw/zinc/42/12/20/946421220.db2.gz AMJISAMXLIQKQP-QWRGUYRKSA-N -1 1 392.414 1.423 20 0 GDADMM CC1(C)CC[C@@H](CNC(=O)[C@@H]2CC2(F)F)N(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571307239 946421225 /nfs/dbraw/zinc/42/12/25/946421225.db2.gz AMJISAMXLIQKQP-QWRGUYRKSA-N -1 1 392.414 1.423 20 0 GDADMM CN(c1nccnc1-c1nnn[n-]1)[C@H]1CCN(C(=O)C[C@@H]2CCCC2(F)F)C1 ZINC001571307905 946427577 /nfs/dbraw/zinc/42/75/77/946427577.db2.gz JLFLGQRNRNTPDE-RYUDHWBXSA-N -1 1 392.414 1.519 20 0 GDADMM CN(c1nccnc1-c1nn[n-]n1)[C@H]1CCN(C(=O)C[C@@H]2CCCC2(F)F)C1 ZINC001571307905 946427583 /nfs/dbraw/zinc/42/75/83/946427583.db2.gz JLFLGQRNRNTPDE-RYUDHWBXSA-N -1 1 392.414 1.519 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H]1CCCCN1C(=O)c1ccco1 ZINC000823436220 946430439 /nfs/dbraw/zinc/43/04/39/946430439.db2.gz MPPLTADYLCBTLI-CQSZACIVSA-N -1 1 382.380 1.593 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1CCCCN1C(=O)c1ccco1 ZINC000823436220 946430446 /nfs/dbraw/zinc/43/04/46/946430446.db2.gz MPPLTADYLCBTLI-CQSZACIVSA-N -1 1 382.380 1.593 20 0 GDADMM CN(C[C@@H]1CCCN1C(=O)CC1CC(F)(F)C1)c1nccnc1-c1nnn[n-]1 ZINC001571308112 946430682 /nfs/dbraw/zinc/43/06/82/946430682.db2.gz NCYJBLRZOOIRSL-LBPRGKRZSA-N -1 1 392.414 1.519 20 0 GDADMM CN(C[C@@H]1CCCN1C(=O)CC1CC(F)(F)C1)c1nccnc1-c1nn[n-]n1 ZINC001571308112 946430686 /nfs/dbraw/zinc/43/06/86/946430686.db2.gz NCYJBLRZOOIRSL-LBPRGKRZSA-N -1 1 392.414 1.519 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@@H]2CCCN2C(=O)[C@H]2C[C@@H]2C(F)F)n1 ZINC001571308324 946431528 /nfs/dbraw/zinc/43/15/28/946431528.db2.gz OQKKVCWYUHFJJH-SRVKXCTJSA-N -1 1 392.414 1.294 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@@H]2CCCN2C(=O)[C@H]2C[C@@H]2C(F)F)n1 ZINC001571308324 946431534 /nfs/dbraw/zinc/43/15/34/946431534.db2.gz OQKKVCWYUHFJJH-SRVKXCTJSA-N -1 1 392.414 1.294 20 0 GDADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1c(C(F)(F)F)nc2n1CCCC2 ZINC001571308529 946432810 /nfs/dbraw/zinc/43/28/10/946432810.db2.gz QBLWVFFDWAZIRO-UHFFFAOYSA-N -1 1 392.345 1.743 20 0 GDADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1c(C(F)(F)F)nc2n1CCCC2 ZINC001571308529 946432817 /nfs/dbraw/zinc/43/28/17/946432817.db2.gz QBLWVFFDWAZIRO-UHFFFAOYSA-N -1 1 392.345 1.743 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)C(C)(F)F ZINC001571309028 946439909 /nfs/dbraw/zinc/43/99/09/946439909.db2.gz WBZXXLXKNXWWGL-TUAOUCFPSA-N -1 1 392.414 1.518 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)C(C)(F)F ZINC001571309028 946439916 /nfs/dbraw/zinc/43/99/16/946439916.db2.gz WBZXXLXKNXWWGL-TUAOUCFPSA-N -1 1 392.414 1.518 20 0 GDADMM C[C@@H]1Cc2cccc(C(=O)N[C@H]3C[C@@H](Nc4cncc(-c5nnn[n-]5)n4)C3)c2O1 ZINC001571309621 946448702 /nfs/dbraw/zinc/44/87/02/946448702.db2.gz FVIZMSIIMIFNRB-RTXFEEFZSA-N -1 1 392.423 1.353 20 0 GDADMM C[C@@H]1Cc2cccc(C(=O)N[C@H]3C[C@@H](Nc4cncc(-c5nn[n-]n5)n4)C3)c2O1 ZINC001571309621 946448707 /nfs/dbraw/zinc/44/87/07/946448707.db2.gz FVIZMSIIMIFNRB-RTXFEEFZSA-N -1 1 392.423 1.353 20 0 GDADMM O=C(N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)C1CCC(F)(F)CC1 ZINC001571309957 946457407 /nfs/dbraw/zinc/45/74/07/946457407.db2.gz QLNJWGVFANZWJN-LBPRGKRZSA-N -1 1 392.414 1.567 20 0 GDADMM O=C(N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)C1CCC(F)(F)CC1 ZINC001571309957 946457411 /nfs/dbraw/zinc/45/74/11/946457411.db2.gz QLNJWGVFANZWJN-LBPRGKRZSA-N -1 1 392.414 1.567 20 0 GDADMM O=C(N1CCC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)C1(C(F)F)CCC1 ZINC001571309889 946458162 /nfs/dbraw/zinc/45/81/62/946458162.db2.gz OJYALXAIPMHOAM-LLVKDONJSA-N -1 1 392.414 1.743 20 0 GDADMM O=C(N1CCC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)C1(C(F)F)CCC1 ZINC001571309889 946458170 /nfs/dbraw/zinc/45/81/70/946458170.db2.gz OJYALXAIPMHOAM-LLVKDONJSA-N -1 1 392.414 1.743 20 0 GDADMM O=C(C[C@@H]1CCCC1(F)F)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571310235 946466213 /nfs/dbraw/zinc/46/62/13/946466213.db2.gz ZEOYLHJVXCAEML-RYUDHWBXSA-N -1 1 392.414 1.885 20 0 GDADMM O=C(C[C@@H]1CCCC1(F)F)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571310235 946466221 /nfs/dbraw/zinc/46/62/21/946466221.db2.gz ZEOYLHJVXCAEML-RYUDHWBXSA-N -1 1 392.414 1.885 20 0 GDADMM CN(C)S(=O)(=O)c1ccc(CNC(=O)c2csc(-c3nn[n-]n3)c2)cc1 ZINC001571310375 946470402 /nfs/dbraw/zinc/47/04/02/946470402.db2.gz DIDUXAPZYOROLD-UHFFFAOYSA-N -1 1 392.466 1.109 20 0 GDADMM O=C(c1ncccc1[O-])N1CC[C@]2(CCN(c3ncccc3-c3nn[nH]n3)C2)C1 ZINC001571312646 946497343 /nfs/dbraw/zinc/49/73/43/946497343.db2.gz JNEJNCNSDYMUEI-IBGZPJMESA-N -1 1 392.423 1.105 20 0 GDADMM CCc1ccccc1CC(=O)N1CC[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571313395 946521507 /nfs/dbraw/zinc/52/15/07/946521507.db2.gz OAWHWLCGCVUFNX-MRXNPFEDSA-N -1 1 392.467 1.499 20 0 GDADMM CCc1ccccc1CC(=O)N1CC[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571313395 946521517 /nfs/dbraw/zinc/52/15/17/946521517.db2.gz OAWHWLCGCVUFNX-MRXNPFEDSA-N -1 1 392.467 1.499 20 0 GDADMM CCc1ccc([C@@H](C)C(=O)N2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)cc1 ZINC001571313458 946523439 /nfs/dbraw/zinc/52/34/39/946523439.db2.gz OPHSZAGORXGLNC-CQSZACIVSA-N -1 1 392.467 1.671 20 0 GDADMM CN(C[C@H]1CCN(C(=O)CCc2ccccc2)C1)c1cncc(-c2nnn[n-]2)n1 ZINC001571313468 946523502 /nfs/dbraw/zinc/52/35/02/946523502.db2.gz OXZMNXWVZPBDAA-MRXNPFEDSA-N -1 1 392.467 1.574 20 0 GDADMM CN(C[C@H]1CCN(C(=O)CCc2ccccc2)C1)c1cncc(-c2nn[n-]n2)n1 ZINC001571313468 946523515 /nfs/dbraw/zinc/52/35/15/946523515.db2.gz OXZMNXWVZPBDAA-MRXNPFEDSA-N -1 1 392.467 1.574 20 0 GDADMM O=C(c1ccc2c(c1)CCOC2)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571313576 946525600 /nfs/dbraw/zinc/52/56/00/946525600.db2.gz RZYOCTOFVCMVHF-OAHLLOKOSA-N -1 1 392.423 1.056 20 0 GDADMM O=C(c1ccc2c(c1)CCOC2)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571313576 946525610 /nfs/dbraw/zinc/52/56/10/946525610.db2.gz RZYOCTOFVCMVHF-OAHLLOKOSA-N -1 1 392.423 1.056 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571313832 946534215 /nfs/dbraw/zinc/53/42/15/946534215.db2.gz WYUVDBUKBDLRIQ-GDBMZVCRSA-N -1 1 392.467 1.938 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571313832 946534220 /nfs/dbraw/zinc/53/42/20/946534220.db2.gz WYUVDBUKBDLRIQ-GDBMZVCRSA-N -1 1 392.467 1.938 20 0 GDADMM Cc1ccc(CC(=O)N2CCC[C@@H]2CN(C)c2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001571315429 946551870 /nfs/dbraw/zinc/55/18/70/946551870.db2.gz KKYUDHOSDVTJTP-MRXNPFEDSA-N -1 1 392.467 1.635 20 0 GDADMM Cc1ccc(CC(=O)N2CCC[C@@H]2CN(C)c2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001571315429 946551874 /nfs/dbraw/zinc/55/18/74/946551874.db2.gz KKYUDHOSDVTJTP-MRXNPFEDSA-N -1 1 392.467 1.635 20 0 GDADMM Cc1ccc(C[C@@H](C)C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001571315463 946552251 /nfs/dbraw/zinc/55/22/51/946552251.db2.gz LOTJLXCHAGGHSE-GDBMZVCRSA-N -1 1 392.467 1.857 20 0 GDADMM Cc1ccc(C[C@@H](C)C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001571315463 946552260 /nfs/dbraw/zinc/55/22/60/946552260.db2.gz LOTJLXCHAGGHSE-GDBMZVCRSA-N -1 1 392.467 1.857 20 0 GDADMM Cc1ccc(CCC(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c(C)c1 ZINC001571315856 946560492 /nfs/dbraw/zinc/56/04/92/946560492.db2.gz PUDWJZMHCRGOGR-INIZCTEOSA-N -1 1 392.467 1.919 20 0 GDADMM Cc1ccc(CCC(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c(C)c1 ZINC001571315856 946560496 /nfs/dbraw/zinc/56/04/96/946560496.db2.gz PUDWJZMHCRGOGR-INIZCTEOSA-N -1 1 392.467 1.919 20 0 GDADMM Cc1ccccc1[C@H](C)C(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571316489 946579421 /nfs/dbraw/zinc/57/94/21/946579421.db2.gz DLHBKVATBPEZMZ-GJZGRUSLSA-N -1 1 392.467 1.806 20 0 GDADMM Brc1cnc([C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)nc1 ZINC001573279081 946631042 /nfs/dbraw/zinc/63/10/42/946631042.db2.gz CFHVIAWFKXZBLD-VIFPVBQESA-N -1 1 388.233 1.593 20 0 GDADMM Brc1cnc([C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)nc1 ZINC001573279081 946631048 /nfs/dbraw/zinc/63/10/48/946631048.db2.gz CFHVIAWFKXZBLD-VIFPVBQESA-N -1 1 388.233 1.593 20 0 GDADMM CC(=O)NCc1ccc(S(=O)(=O)NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC001573533298 946710790 /nfs/dbraw/zinc/71/07/90/946710790.db2.gz MYTHLBRNIRSHFF-UHFFFAOYSA-N -1 1 392.466 1.043 20 0 GDADMM CC(=O)Nc1ccc(C(=O)Cn2c3c(cc(-c4nn[n-]n4)c2=O)CCC3)cc1 ZINC001573543399 946809542 /nfs/dbraw/zinc/80/95/42/946809542.db2.gz YSAIXDFNUASFNH-UHFFFAOYSA-N -1 1 378.392 1.358 20 0 GDADMM CC[C@H]1CN(C(=O)C(C)C)CC[C@@H]1NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825204910 947117650 /nfs/dbraw/zinc/11/76/50/947117650.db2.gz UBSOZUPYBPJMJG-STQMWFEESA-N -1 1 389.460 1.105 20 0 GDADMM CC[C@H]1CN(C(=O)C(C)C)CC[C@@H]1NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825204910 947117656 /nfs/dbraw/zinc/11/76/56/947117656.db2.gz UBSOZUPYBPJMJG-STQMWFEESA-N -1 1 389.460 1.105 20 0 GDADMM CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)C1 ZINC000825233156 947129289 /nfs/dbraw/zinc/12/92/89/947129289.db2.gz NSQMBNMXJJPXCK-DGCLKSJQSA-N -1 1 389.460 1.249 20 0 GDADMM CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)C1 ZINC000825233156 947129295 /nfs/dbraw/zinc/12/92/95/947129295.db2.gz NSQMBNMXJJPXCK-DGCLKSJQSA-N -1 1 389.460 1.249 20 0 GDADMM CCN(CC)C(=O)c1ccc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)cc1 ZINC000825405727 947176173 /nfs/dbraw/zinc/17/61/73/947176173.db2.gz DFVJTRFLRJDYKP-UHFFFAOYSA-N -1 1 383.412 1.826 20 0 GDADMM CCN(CC)C(=O)c1ccc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)cc1 ZINC000825405727 947176182 /nfs/dbraw/zinc/17/61/82/947176182.db2.gz DFVJTRFLRJDYKP-UHFFFAOYSA-N -1 1 383.412 1.826 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)N[C@@H](C)c2cccs2)c1-c1nn[n-]n1 ZINC000825565844 947227368 /nfs/dbraw/zinc/22/73/68/947227368.db2.gz YYHNAYRWOVEUPQ-VIFPVBQESA-N -1 1 375.414 1.179 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)Nc2cccc(Cl)c2)c1-c1nn[n-]n1 ZINC000825570333 947230982 /nfs/dbraw/zinc/23/09/82/947230982.db2.gz IHAVBBFBAPRPDP-UHFFFAOYSA-N -1 1 375.776 1.532 20 0 GDADMM CCn1c(CCNC(=O)Cc2noc(C)c2-c2nnn[n-]2)nc2ccccc21 ZINC000825788282 947329405 /nfs/dbraw/zinc/32/94/05/947329405.db2.gz ODNXXJXLALAXJX-UHFFFAOYSA-N -1 1 380.412 1.434 20 0 GDADMM CCn1c(CCNC(=O)Cc2noc(C)c2-c2nn[n-]n2)nc2ccccc21 ZINC000825788282 947329421 /nfs/dbraw/zinc/32/94/21/947329421.db2.gz ODNXXJXLALAXJX-UHFFFAOYSA-N -1 1 380.412 1.434 20 0 GDADMM C[C@@H](C(=O)N(C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)c1ccco1 ZINC001573593735 947375968 /nfs/dbraw/zinc/37/59/68/947375968.db2.gz VJBZZRCDGPUWNT-GFCCVEGCSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@@H](C(=O)N(C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)c1ccco1 ZINC001573593735 947375980 /nfs/dbraw/zinc/37/59/80/947375980.db2.gz VJBZZRCDGPUWNT-GFCCVEGCSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@H](C(=O)N(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)n1cccc1 ZINC001573595282 947416935 /nfs/dbraw/zinc/41/69/35/947416935.db2.gz XEYVNUHKTVLSDO-DOMZBBRYSA-N -1 1 381.444 1.368 20 0 GDADMM C[C@H](C(=O)N(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)n1cccc1 ZINC001573595282 947416941 /nfs/dbraw/zinc/41/69/41/947416941.db2.gz XEYVNUHKTVLSDO-DOMZBBRYSA-N -1 1 381.444 1.368 20 0 GDADMM CNC(=O)c1ccc(CN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)C2CC2)cc1 ZINC000826067210 947421431 /nfs/dbraw/zinc/42/14/31/947421431.db2.gz DWHQBKPTKBCGAV-UHFFFAOYSA-N -1 1 395.423 1.256 20 0 GDADMM CNC(=O)c1ccc(CN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)C2CC2)cc1 ZINC000826067210 947421440 /nfs/dbraw/zinc/42/14/40/947421440.db2.gz DWHQBKPTKBCGAV-UHFFFAOYSA-N -1 1 395.423 1.256 20 0 GDADMM CO[C@@H]1[C@@H](C)[C@H](NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C1(C)C ZINC000826144254 947453081 /nfs/dbraw/zinc/45/30/81/947453081.db2.gz FPMTYSPXTCWADS-CIISACIHSA-N -1 1 388.472 1.692 20 0 GDADMM CO[C@@H]1[C@@H](C)[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C1(C)C ZINC000826144527 947458028 /nfs/dbraw/zinc/45/80/28/947458028.db2.gz LWNACNWKHXVREO-WHGOUJPWSA-N -1 1 378.458 1.479 20 0 GDADMM C[C@@H](C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1)[C@@H](C)C(C)(C)C ZINC001573604571 947513362 /nfs/dbraw/zinc/51/33/62/947513362.db2.gz PFNZESMGZMSNTQ-CHWSQXEVSA-N -1 1 390.492 1.208 20 0 GDADMM C[C@@H](C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1)[C@@H](C)C(C)(C)C ZINC001573604571 947513370 /nfs/dbraw/zinc/51/33/70/947513370.db2.gz PFNZESMGZMSNTQ-CHWSQXEVSA-N -1 1 390.492 1.208 20 0 GDADMM CC(C)N(CCN(C)c1cncc(-c2nnn[n-]2)n1)C(=O)[C@H](C)[C@@H]1CCCO1 ZINC001573605279 947527758 /nfs/dbraw/zinc/52/77/58/947527758.db2.gz UXUBBTIKZFSZFN-HIFRSBDPSA-N -1 1 388.476 1.145 20 0 GDADMM CC(C)N(CCN(C)c1cncc(-c2nn[n-]n2)n1)C(=O)[C@H](C)[C@@H]1CCCO1 ZINC001573605279 947527768 /nfs/dbraw/zinc/52/77/68/947527768.db2.gz UXUBBTIKZFSZFN-HIFRSBDPSA-N -1 1 388.476 1.145 20 0 GDADMM C[C@@H](C(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1)c1cccc(Cl)c1 ZINC001573605323 947528401 /nfs/dbraw/zinc/52/84/01/947528401.db2.gz VSQOGYZBHACLBM-LLVKDONJSA-N -1 1 386.847 1.984 20 0 GDADMM C[C@@H](C(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1)c1cccc(Cl)c1 ZINC001573605323 947528419 /nfs/dbraw/zinc/52/84/19/947528419.db2.gz VSQOGYZBHACLBM-LLVKDONJSA-N -1 1 386.847 1.984 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C(C)(C)C1)C(F)(F)F ZINC001573613681 947568318 /nfs/dbraw/zinc/56/83/18/947568318.db2.gz GOSCIFRANWWTFA-PSASIEDQSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C(C)(C)C1)C(F)(F)F ZINC001573613681 947568327 /nfs/dbraw/zinc/56/83/27/947568327.db2.gz GOSCIFRANWWTFA-PSASIEDQSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C(C)(C)C1)n1cccc1 ZINC001573613788 947570544 /nfs/dbraw/zinc/57/05/44/947570544.db2.gz IWBUHLOISNHJPO-GXTWGEPZSA-N -1 1 381.444 1.368 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C(C)(C)C1)n1cccc1 ZINC001573613788 947570553 /nfs/dbraw/zinc/57/05/53/947570553.db2.gz IWBUHLOISNHJPO-GXTWGEPZSA-N -1 1 381.444 1.368 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@H](CN(C)c3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001573350315 947594398 /nfs/dbraw/zinc/59/43/98/947594398.db2.gz ABQLACGUISSIIR-OAHLLOKOSA-N -1 1 390.451 1.898 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@H](CN(C)c3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001573350315 947594405 /nfs/dbraw/zinc/59/44/05/947594405.db2.gz ABQLACGUISSIIR-OAHLLOKOSA-N -1 1 390.451 1.898 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1)C(C)(F)F ZINC001573615076 947598669 /nfs/dbraw/zinc/59/86/69/947598669.db2.gz QITGIRGONXRSOP-SDDRHHMPSA-N -1 1 392.414 1.518 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1)C(C)(F)F ZINC001573615076 947598677 /nfs/dbraw/zinc/59/86/77/947598677.db2.gz QITGIRGONXRSOP-SDDRHHMPSA-N -1 1 392.414 1.518 20 0 GDADMM C[C@@H](C(=O)N1CC[C@](C)(CNc2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001573615224 947601173 /nfs/dbraw/zinc/60/11/73/947601173.db2.gz JHZXMOZCYIONBN-SCLBCKFNSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@@H](C(=O)N1CC[C@](C)(CNc2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001573615224 947601184 /nfs/dbraw/zinc/60/11/84/947601184.db2.gz JHZXMOZCYIONBN-SCLBCKFNSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@@H](C(=O)N1CCC(N(C)c2nccnc2-c2nnn[n-]2)CC1)n1cccc1 ZINC001573615217 947601311 /nfs/dbraw/zinc/60/13/11/947601311.db2.gz CFKNJQRDNODNLX-ZDUSSCGKSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H](C(=O)N1CCC(N(C)c2nccnc2-c2nn[n-]n2)CC1)n1cccc1 ZINC001573615217 947601322 /nfs/dbraw/zinc/60/13/22/947601322.db2.gz CFKNJQRDNODNLX-ZDUSSCGKSA-N -1 1 381.444 1.147 20 0 GDADMM C=Cc1ccc(C(=O)N(C)[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001573351055 947607646 /nfs/dbraw/zinc/60/76/46/947607646.db2.gz JAVGPZBXPUQGRV-OAHLLOKOSA-N -1 1 376.424 1.651 20 0 GDADMM C=Cc1ccc(C(=O)N(C)[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001573351055 947607652 /nfs/dbraw/zinc/60/76/52/947607652.db2.gz JAVGPZBXPUQGRV-OAHLLOKOSA-N -1 1 376.424 1.651 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001573351338 947612371 /nfs/dbraw/zinc/61/23/71/947612371.db2.gz LLDMTPBYLIUIQR-AWEZNQCLSA-N -1 1 376.424 1.874 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573351338 947612380 /nfs/dbraw/zinc/61/23/80/947612380.db2.gz LLDMTPBYLIUIQR-AWEZNQCLSA-N -1 1 376.424 1.874 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CN(C)c2ccnc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573615955 947615173 /nfs/dbraw/zinc/61/51/73/947615173.db2.gz LGJINBXKAQFJGV-MNOVXSKESA-N -1 1 380.403 1.233 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)c1ccsc1 ZINC001573616375 947620845 /nfs/dbraw/zinc/62/08/45/947620845.db2.gz IJDOQWZKOCXHHY-WCQYABFASA-N -1 1 384.469 1.559 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)c1ccsc1 ZINC001573616375 947620853 /nfs/dbraw/zinc/62/08/53/947620853.db2.gz IJDOQWZKOCXHHY-WCQYABFASA-N -1 1 384.469 1.559 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573354387 947632930 /nfs/dbraw/zinc/63/29/30/947632930.db2.gz BNLBLEMQUUKGNQ-OAHLLOKOSA-N -1 1 390.451 1.946 20 0 GDADMM C=Cc1ccc(C(=O)N[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C2CC2)cc1 ZINC001573354892 947638956 /nfs/dbraw/zinc/63/89/56/947638956.db2.gz JSAYFHACSBMQBY-OAHLLOKOSA-N -1 1 376.424 1.920 20 0 GDADMM C=Cc1ccc(C(=O)N[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C2CC2)cc1 ZINC001573354892 947638980 /nfs/dbraw/zinc/63/89/80/947638980.db2.gz JSAYFHACSBMQBY-OAHLLOKOSA-N -1 1 376.424 1.920 20 0 GDADMM C[C@@H](C(=O)N1CCC(CNc2nccnc2-c2nnn[n-]2)CC1)c1ccco1 ZINC001573617797 947641838 /nfs/dbraw/zinc/64/18/38/947641838.db2.gz MZECGAGTSRNRDN-GFCCVEGCSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@@H](C(=O)N1CCC(CNc2nccnc2-c2nn[n-]n2)CC1)c1ccco1 ZINC001573617797 947641845 /nfs/dbraw/zinc/64/18/45/947641845.db2.gz MZECGAGTSRNRDN-GFCCVEGCSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@H](C(=O)N1CCC(C)(Nc2ccnc(-c3nn[n-]n3)n2)CC1)c1ccco1 ZINC001573617853 947642550 /nfs/dbraw/zinc/64/25/50/947642550.db2.gz PTGMGAOSMCVXGE-LBPRGKRZSA-N -1 1 382.428 1.268 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@H](O)CNc2snc(C)c2-c2nn[n-]n2)cc1 ZINC001573356598 947652583 /nfs/dbraw/zinc/65/25/83/947652583.db2.gz YUULRPKFXXLRCW-ZDUSSCGKSA-N -1 1 385.453 1.477 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CCNc2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001573619459 947664705 /nfs/dbraw/zinc/66/47/05/947664705.db2.gz WIYAZDWKJPYVLN-OLZOCXBDSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CCNc2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001573619459 947664713 /nfs/dbraw/zinc/66/47/13/947664713.db2.gz WIYAZDWKJPYVLN-OLZOCXBDSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CN(C)c2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001573620157 947677272 /nfs/dbraw/zinc/67/72/72/947677272.db2.gz YRUNCSCIXXJNHG-STQMWFEESA-N -1 1 382.428 1.338 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CN(C)c2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001573620157 947677281 /nfs/dbraw/zinc/67/72/81/947677281.db2.gz YRUNCSCIXXJNHG-STQMWFEESA-N -1 1 382.428 1.338 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1)C(C)(F)F ZINC001573628007 947742405 /nfs/dbraw/zinc/74/24/05/947742405.db2.gz FBKKHBRNUWSCSF-MNOVXSKESA-N -1 1 380.403 1.375 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1)C(C)(F)F ZINC001573628007 947742417 /nfs/dbraw/zinc/74/24/17/947742417.db2.gz FBKKHBRNUWSCSF-MNOVXSKESA-N -1 1 380.403 1.375 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](CN(C)c2cncc(-c3nnn[n-]3)n2)C1)C1CCC1 ZINC001573627992 947742522 /nfs/dbraw/zinc/74/25/22/947742522.db2.gz DQOLEJCXFIJMPQ-KBPBESRZSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](CN(C)c2cncc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573627992 947742525 /nfs/dbraw/zinc/74/25/25/947742525.db2.gz DQOLEJCXFIJMPQ-KBPBESRZSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1)c1cccnc1 ZINC001573628050 947742657 /nfs/dbraw/zinc/74/26/57/947742657.db2.gz HRHMELARWDRGBU-JSGCOSHPSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001573628050 947742661 /nfs/dbraw/zinc/74/26/61/947742661.db2.gz HRHMELARWDRGBU-JSGCOSHPSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](CN(C)c2nccnc2-c2nnn[n-]2)C1)C1CCC1 ZINC001573628832 947765682 /nfs/dbraw/zinc/76/56/82/947765682.db2.gz KNEQVSHDIZUAPX-UONOGXRCSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](CN(C)c2nccnc2-c2nn[n-]n2)C1)C1CCC1 ZINC001573628832 947765689 /nfs/dbraw/zinc/76/56/89/947765689.db2.gz KNEQVSHDIZUAPX-UONOGXRCSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1nccnc1-c1nnn[n-]1)C(C)(F)F ZINC001573629183 947773575 /nfs/dbraw/zinc/77/35/75/947773575.db2.gz RATFIOYTIDZNHA-WDEREUQCSA-N -1 1 380.403 1.375 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1nccnc1-c1nn[n-]n1)C(C)(F)F ZINC001573629183 947773579 /nfs/dbraw/zinc/77/35/79/947773579.db2.gz RATFIOYTIDZNHA-WDEREUQCSA-N -1 1 380.403 1.375 20 0 GDADMM CC(=O)CCCC(=O)N1CCC(CCNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573369290 947774560 /nfs/dbraw/zinc/77/45/60/947774560.db2.gz UBBOCFQWOVYZRG-UHFFFAOYSA-N -1 1 386.460 1.457 20 0 GDADMM CC(=O)CCCC(=O)N1CCC(CCNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573369290 947774567 /nfs/dbraw/zinc/77/45/67/947774567.db2.gz UBBOCFQWOVYZRG-UHFFFAOYSA-N -1 1 386.460 1.457 20 0 GDADMM C[C@@H](C(=O)N1CCCCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573629391 947779993 /nfs/dbraw/zinc/77/99/93/947779993.db2.gz SSBJOCAYGNZTHW-HIFRSBDPSA-N -1 1 384.488 1.698 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001573372658 947782120 /nfs/dbraw/zinc/78/21/20/947782120.db2.gz BGPYYQKKHIUCQF-AWEZNQCLSA-N -1 1 386.460 1.599 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001573372658 947782128 /nfs/dbraw/zinc/78/21/28/947782128.db2.gz BGPYYQKKHIUCQF-AWEZNQCLSA-N -1 1 386.460 1.599 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)[C@@H](C)C1 ZINC001573373754 947799939 /nfs/dbraw/zinc/79/99/39/947799939.db2.gz LHBCYWHMLOWXET-JSGCOSHPSA-N -1 1 386.460 1.313 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)[C@@H](C)C1 ZINC001573373754 947799946 /nfs/dbraw/zinc/79/99/46/947799946.db2.gz LHBCYWHMLOWXET-JSGCOSHPSA-N -1 1 386.460 1.313 20 0 GDADMM CC(=O)CCCC(=O)N[C@]12CCC[C@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001573374116 947803521 /nfs/dbraw/zinc/80/35/21/947803521.db2.gz HRPHOVZQXIPPPL-KDOFPFPSSA-N -1 1 384.444 1.034 20 0 GDADMM CC(=O)CCCC(=O)N[C@]12CCC[C@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001573374116 947803535 /nfs/dbraw/zinc/80/35/35/947803535.db2.gz HRPHOVZQXIPPPL-KDOFPFPSSA-N -1 1 384.444 1.034 20 0 GDADMM CC(=O)CCCC(=O)N[C@]12CCC[C@H]1N(c1nccnc1-c1nnn[n-]1)CC2 ZINC001573375283 947819418 /nfs/dbraw/zinc/81/94/18/947819418.db2.gz NOEUGIVJVISLPM-ACJLOTCBSA-N -1 1 384.444 1.034 20 0 GDADMM CC(=O)CCCC(=O)N[C@]12CCC[C@H]1N(c1nccnc1-c1nn[n-]n1)CC2 ZINC001573375283 947819422 /nfs/dbraw/zinc/81/94/22/947819422.db2.gz NOEUGIVJVISLPM-ACJLOTCBSA-N -1 1 384.444 1.034 20 0 GDADMM CC(=O)CCCC(=O)N[C@H](C)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573377153 947849133 /nfs/dbraw/zinc/84/91/33/947849133.db2.gz JLVDOKUEYPWCMV-KGLIPLIRSA-N -1 1 386.460 1.137 20 0 GDADMM CC(=O)CCCC(=O)N[C@H](C)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573377153 947849139 /nfs/dbraw/zinc/84/91/39/947849139.db2.gz JLVDOKUEYPWCMV-KGLIPLIRSA-N -1 1 386.460 1.137 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1F ZINC001573639727 947849205 /nfs/dbraw/zinc/84/92/05/947849205.db2.gz BTLJNXQBHUTSHX-NWDGAFQWSA-N -1 1 382.403 1.034 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001573641816 947858445 /nfs/dbraw/zinc/85/84/45/947858445.db2.gz NPBANSFWYZHREZ-RDBSUJKOSA-N -1 1 396.459 1.153 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001573641816 947858449 /nfs/dbraw/zinc/85/84/49/947858449.db2.gz NPBANSFWYZHREZ-RDBSUJKOSA-N -1 1 396.459 1.153 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](C)[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1)n1cccn1 ZINC001573647119 947885391 /nfs/dbraw/zinc/88/53/91/947885391.db2.gz COMJQPQVULJWJT-HZSPNIEDSA-N -1 1 396.459 1.011 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](C)[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1)n1cccn1 ZINC001573647119 947885398 /nfs/dbraw/zinc/88/53/98/947885398.db2.gz COMJQPQVULJWJT-HZSPNIEDSA-N -1 1 396.459 1.011 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccsc1 ZINC001573647184 947888279 /nfs/dbraw/zinc/88/82/79/947888279.db2.gz DNNVLSYNXGTCNJ-UHIISALHSA-N -1 1 384.469 1.781 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccsc1 ZINC001573647184 947888292 /nfs/dbraw/zinc/88/82/92/947888292.db2.gz DNNVLSYNXGTCNJ-UHIISALHSA-N -1 1 384.469 1.781 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cccs1 ZINC001573648015 947905367 /nfs/dbraw/zinc/90/53/67/947905367.db2.gz WXXWJMHWCPOAOR-NTZNESFSSA-N -1 1 384.469 1.781 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cccs1 ZINC001573648015 947905374 /nfs/dbraw/zinc/90/53/74/947905374.db2.gz WXXWJMHWCPOAOR-NTZNESFSSA-N -1 1 384.469 1.781 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1C[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573384882 947908905 /nfs/dbraw/zinc/90/89/05/947908905.db2.gz ZUFWAPRXPMGSIR-KYZUINATSA-N -1 1 383.865 1.795 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1C[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573384882 947908917 /nfs/dbraw/zinc/90/89/17/947908917.db2.gz ZUFWAPRXPMGSIR-KYZUINATSA-N -1 1 383.865 1.795 20 0 GDADMM Cc1onc(CC(=O)N2CCC(Oc3cc(C)ccn3)CC2)c1-c1nnn[n-]1 ZINC000826315134 947921553 /nfs/dbraw/zinc/92/15/53/947921553.db2.gz ZDUPUFISDBDWJG-UHFFFAOYSA-N -1 1 383.412 1.479 20 0 GDADMM Cc1onc(CC(=O)N2CCC(Oc3cc(C)ccn3)CC2)c1-c1nn[n-]n1 ZINC000826315134 947921557 /nfs/dbraw/zinc/92/15/57/947921557.db2.gz ZDUPUFISDBDWJG-UHFFFAOYSA-N -1 1 383.412 1.479 20 0 GDADMM C[C@@H](C(=O)N[C@](C)(CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)c1ccco1 ZINC001573653412 947958009 /nfs/dbraw/zinc/95/80/09/947958009.db2.gz LKWHFHNCFAMVLW-ADLMAVQZSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](C(=O)N[C@](C)(CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)c1ccco1 ZINC001573653412 947958011 /nfs/dbraw/zinc/95/80/11/947958011.db2.gz LKWHFHNCFAMVLW-ADLMAVQZSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)c1cccs1 ZINC001573654255 947963185 /nfs/dbraw/zinc/96/31/85/947963185.db2.gz QGEBJCXXFQZIBH-JQWIXIFHSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)c1cccs1 ZINC001573654255 947963194 /nfs/dbraw/zinc/96/31/94/947963194.db2.gz QGEBJCXXFQZIBH-JQWIXIFHSA-N -1 1 384.469 1.829 20 0 GDADMM Cc1onc(CC(=O)N(C)[C@@H]2CCCN(c3ccccc3)C2=O)c1-c1nnn[n-]1 ZINC000826342833 947983227 /nfs/dbraw/zinc/98/32/27/947983227.db2.gz BKNVPJYUKVHTNB-OAHLLOKOSA-N -1 1 395.423 1.360 20 0 GDADMM Cc1onc(CC(=O)N(C)[C@@H]2CCCN(c3ccccc3)C2=O)c1-c1nn[n-]n1 ZINC000826342833 947983231 /nfs/dbraw/zinc/98/32/31/947983231.db2.gz BKNVPJYUKVHTNB-OAHLLOKOSA-N -1 1 395.423 1.360 20 0 GDADMM Cc1onc(CC(=O)N2CCC(C(=O)c3ccccc3)CC2)c1-c1nnn[n-]1 ZINC000826343493 947990788 /nfs/dbraw/zinc/99/07/88/947990788.db2.gz CPUXHQIGVKAWEZ-UHFFFAOYSA-N -1 1 380.408 1.827 20 0 GDADMM Cc1onc(CC(=O)N2CCC(C(=O)c3ccccc3)CC2)c1-c1nn[n-]n1 ZINC000826343493 947990799 /nfs/dbraw/zinc/99/07/99/947990799.db2.gz CPUXHQIGVKAWEZ-UHFFFAOYSA-N -1 1 380.408 1.827 20 0 GDADMM C[C@@H](C(=O)NC1(C)CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C1CCCC1 ZINC001573657386 948001318 /nfs/dbraw/zinc/00/13/18/948001318.db2.gz NKLJFNPQGHQIJP-CYBMUJFWSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](C(=O)NC1(C)CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C1CCCC1 ZINC001573657386 948001322 /nfs/dbraw/zinc/00/13/22/948001322.db2.gz NKLJFNPQGHQIJP-CYBMUJFWSA-N -1 1 384.488 1.958 20 0 GDADMM Cc1onc(CC(=O)N[C@H](C)c2cccc(-n3ccnc3)c2)c1-c1nn[n-]n1 ZINC000826345061 948018942 /nfs/dbraw/zinc/01/89/42/948018942.db2.gz AUVZXOKOADJSML-LLVKDONJSA-N -1 1 378.396 1.769 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](C)[C@@H](O)c2c(F)cccc2Cl)c1-c1nnn[n-]1 ZINC000826345389 948023114 /nfs/dbraw/zinc/02/31/14/948023114.db2.gz KHZRGKCVEHNQCM-NZFNHWASSA-N -1 1 394.794 1.736 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](C)[C@@H](O)c2c(F)cccc2Cl)c1-c1nn[n-]n1 ZINC000826345389 948023128 /nfs/dbraw/zinc/02/31/28/948023128.db2.gz KHZRGKCVEHNQCM-NZFNHWASSA-N -1 1 394.794 1.736 20 0 GDADMM C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)C(C)(F)F ZINC001573663821 948042490 /nfs/dbraw/zinc/04/24/90/948042490.db2.gz AKGOHPZGJNOJAV-YEJSDXFRSA-N -1 1 392.414 1.564 20 0 GDADMM C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)C(C)(F)F ZINC001573663821 948042502 /nfs/dbraw/zinc/04/25/02/948042502.db2.gz AKGOHPZGJNOJAV-YEJSDXFRSA-N -1 1 392.414 1.564 20 0 GDADMM C[C@H](C(=O)N[C@@]12CCC[C@@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2)C(C)(F)F ZINC001573664343 948053031 /nfs/dbraw/zinc/05/30/31/948053031.db2.gz TYGLOEBEBQEKPJ-VGTOOOLASA-N -1 1 392.414 1.566 20 0 GDADMM Cc1onc(CC(=O)NC[C@H](c2ccccc2)C(C)(C)CO)c1-c1nnn[n-]1 ZINC000826347428 948053920 /nfs/dbraw/zinc/05/39/20/948053920.db2.gz QPHSUFPBZUWLDQ-CQSZACIVSA-N -1 1 384.440 1.624 20 0 GDADMM Cc1onc(CC(=O)NC[C@H](c2ccccc2)C(C)(C)CO)c1-c1nn[n-]n1 ZINC000826347428 948053926 /nfs/dbraw/zinc/05/39/26/948053926.db2.gz QPHSUFPBZUWLDQ-CQSZACIVSA-N -1 1 384.440 1.624 20 0 GDADMM Cc1onc(CC(=O)NC[C@@H](O)c2ccc(C(C)(C)C)cc2)c1-c1nnn[n-]1 ZINC000826347653 948059202 /nfs/dbraw/zinc/05/92/02/948059202.db2.gz YVNBYXUUVBDYMK-OAHLLOKOSA-N -1 1 384.440 1.853 20 0 GDADMM Cc1onc(CC(=O)NC[C@@H](O)c2ccc(C(C)(C)C)cc2)c1-c1nn[n-]n1 ZINC000826347653 948059209 /nfs/dbraw/zinc/05/92/09/948059209.db2.gz YVNBYXUUVBDYMK-OAHLLOKOSA-N -1 1 384.440 1.853 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccsc1 ZINC001573665761 948076745 /nfs/dbraw/zinc/07/67/45/948076745.db2.gz MVEWYFWFRIYVNY-AAEUAGOBSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccsc1 ZINC001573665761 948076755 /nfs/dbraw/zinc/07/67/55/948076755.db2.gz MVEWYFWFRIYVNY-AAEUAGOBSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001573665756 948077339 /nfs/dbraw/zinc/07/73/39/948077339.db2.gz MUYIJLIPBGYUNR-WAAKLRNESA-N -1 1 392.414 1.564 20 0 GDADMM Cc1onc(CC(=O)Nc2cccc(CN3CCOC3=O)c2)c1-c1nnn[n-]1 ZINC000826348816 948084254 /nfs/dbraw/zinc/08/42/54/948084254.db2.gz GKKCTVNFZCUDBE-UHFFFAOYSA-N -1 1 383.368 1.297 20 0 GDADMM Cc1onc(CC(=O)Nc2cccc(CN3CCOC3=O)c2)c1-c1nn[n-]n1 ZINC000826348816 948084263 /nfs/dbraw/zinc/08/42/63/948084263.db2.gz GKKCTVNFZCUDBE-UHFFFAOYSA-N -1 1 383.368 1.297 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cccs1 ZINC001573666236 948084467 /nfs/dbraw/zinc/08/44/67/948084467.db2.gz RIKMFWXYGHJUMT-VXGBXAGGSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573666236 948084476 /nfs/dbraw/zinc/08/44/76/948084476.db2.gz RIKMFWXYGHJUMT-VXGBXAGGSA-N -1 1 384.469 1.607 20 0 GDADMM Cc1onc(CC(=O)Nc2cccc(CN3CCCCC3=O)c2)c1-c1nnn[n-]1 ZINC000826349177 948091204 /nfs/dbraw/zinc/09/12/04/948091204.db2.gz XXANRHNUQYRALC-UHFFFAOYSA-N -1 1 395.423 1.857 20 0 GDADMM Cc1onc(CC(=O)Nc2cccc(CN3CCCCC3=O)c2)c1-c1nn[n-]n1 ZINC000826349177 948091214 /nfs/dbraw/zinc/09/12/14/948091214.db2.gz XXANRHNUQYRALC-UHFFFAOYSA-N -1 1 395.423 1.857 20 0 GDADMM C[C@@H](C(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1)c1ccsc1 ZINC001573671316 948105320 /nfs/dbraw/zinc/10/53/20/948105320.db2.gz DKOWFLPCBLMADE-LLVKDONJSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1)c1ccsc1 ZINC001573671316 948105326 /nfs/dbraw/zinc/10/53/26/948105326.db2.gz DKOWFLPCBLMADE-LLVKDONJSA-N -1 1 384.469 1.607 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N(Cc2ccccc2)[C@@H](CO)C2CC2)n1 ZINC000826357160 948110673 /nfs/dbraw/zinc/11/06/73/948110673.db2.gz UBPKQOAKRIBIBK-HNNXBMFYSA-N -1 1 382.428 1.405 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N(Cc2ccccc2)[C@@H](CO)C2CC2)n1 ZINC000826357160 948110677 /nfs/dbraw/zinc/11/06/77/948110677.db2.gz UBPKQOAKRIBIBK-HNNXBMFYSA-N -1 1 382.428 1.405 20 0 GDADMM C[C@@H](C(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)c1ccsc1 ZINC001573674642 948118769 /nfs/dbraw/zinc/11/87/69/948118769.db2.gz ORXDCJFGJUTJQC-LLVKDONJSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C)C1CCCC1 ZINC001573677801 948141964 /nfs/dbraw/zinc/14/19/64/948141964.db2.gz FHKUOSKBJIEAIL-GXTWGEPZSA-N -1 1 384.488 1.814 20 0 GDADMM Fc1ccc(-c2nnc3n2C[C@H](Nc2nccnc2-c2nnn[n-]2)CC3)cc1 ZINC000826372775 948157219 /nfs/dbraw/zinc/15/72/19/948157219.db2.gz LEMIMHGUDQCNEO-GFCCVEGCSA-N -1 1 378.375 1.481 20 0 GDADMM Fc1ccc(-c2nnc3n2C[C@H](Nc2nccnc2-c2nn[n-]n2)CC3)cc1 ZINC000826372775 948157224 /nfs/dbraw/zinc/15/72/24/948157224.db2.gz LEMIMHGUDQCNEO-GFCCVEGCSA-N -1 1 378.375 1.481 20 0 GDADMM C[C@@H](C(=O)NC[C@@H](CO)Nc1snc(Cl)c1-c1nnn[n-]1)C1CCC1 ZINC001573679442 948162390 /nfs/dbraw/zinc/16/23/90/948162390.db2.gz IWKWMXYPFOYREN-APPZFPTMSA-N -1 1 385.881 1.302 20 0 GDADMM C[C@@H](C(=O)NC[C@@H](CO)Nc1snc(Cl)c1-c1nn[n-]n1)C1CCC1 ZINC001573679442 948162395 /nfs/dbraw/zinc/16/23/95/948162395.db2.gz IWKWMXYPFOYREN-APPZFPTMSA-N -1 1 385.881 1.302 20 0 GDADMM C[C@H](C(=O)NC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1)c1cccs1 ZINC001573680309 948176676 /nfs/dbraw/zinc/17/66/76/948176676.db2.gz MXRKRXUEIYILKS-JQWIXIFHSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1)c1cccs1 ZINC001573680309 948176682 /nfs/dbraw/zinc/17/66/82/948176682.db2.gz MXRKRXUEIYILKS-JQWIXIFHSA-N -1 1 384.469 1.829 20 0 GDADMM CC(C)[C@H](CNC(=O)[C@@H](C)c1cccnc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001573680439 948180727 /nfs/dbraw/zinc/18/07/27/948180727.db2.gz NSSXSIMJUIUFDA-JSGCOSHPSA-N -1 1 381.444 1.408 20 0 GDADMM CC(C)[C@H](CNC(=O)[C@@H](C)c1cccnc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001573680439 948180735 /nfs/dbraw/zinc/18/07/35/948180735.db2.gz NSSXSIMJUIUFDA-JSGCOSHPSA-N -1 1 381.444 1.408 20 0 GDADMM C[C@H](C(=O)N[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C)n1cccc1 ZINC001573680956 948191930 /nfs/dbraw/zinc/19/19/30/948191930.db2.gz SVBHJYLBNHJXDK-OCCSQVGLSA-N -1 1 381.444 1.050 20 0 GDADMM C[C@H](C(=O)N[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C)n1cccc1 ZINC001573680956 948191935 /nfs/dbraw/zinc/19/19/35/948191935.db2.gz SVBHJYLBNHJXDK-OCCSQVGLSA-N -1 1 381.444 1.050 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCC1)c1cccnc1 ZINC001573691043 948233820 /nfs/dbraw/zinc/23/38/20/948233820.db2.gz CJPKNAQKVPTPHR-GFCCVEGCSA-N -1 1 379.428 1.306 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCC1)c1cccnc1 ZINC001573691043 948233830 /nfs/dbraw/zinc/23/38/30/948233830.db2.gz CJPKNAQKVPTPHR-GFCCVEGCSA-N -1 1 379.428 1.306 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCOCC1)C(C)(C)C ZINC001573691351 948239058 /nfs/dbraw/zinc/23/90/58/948239058.db2.gz FRNIUIFSRJXTET-LBPRGKRZSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCOCC1)C(C)(C)C ZINC001573691351 948239071 /nfs/dbraw/zinc/23/90/71/948239071.db2.gz FRNIUIFSRJXTET-LBPRGKRZSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1)c1cccs1 ZINC001573702853 948349684 /nfs/dbraw/zinc/34/96/84/948349684.db2.gz GNLVUSJBXMQPRJ-NWDGAFQWSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1)c1cccs1 ZINC001573702853 948349690 /nfs/dbraw/zinc/34/96/90/948349690.db2.gz GNLVUSJBXMQPRJ-NWDGAFQWSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001573703564 948358278 /nfs/dbraw/zinc/35/82/78/948358278.db2.gz KXRCQTDMXQSOLB-STQMWFEESA-N -1 1 382.428 1.386 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001573703564 948358285 /nfs/dbraw/zinc/35/82/85/948358285.db2.gz KXRCQTDMXQSOLB-STQMWFEESA-N -1 1 382.428 1.386 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001573704931 948386664 /nfs/dbraw/zinc/38/66/64/948386664.db2.gz UVTZBHJPCVHDDU-ZIAGYGMSSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001573704931 948386670 /nfs/dbraw/zinc/38/66/70/948386670.db2.gz UVTZBHJPCVHDDU-ZIAGYGMSSA-N -1 1 381.444 1.052 20 0 GDADMM O=S(=O)(NCc1cccc(-c2ccccn2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826491767 948404200 /nfs/dbraw/zinc/40/42/00/948404200.db2.gz ACIWFGHFBFOFFO-UHFFFAOYSA-N -1 1 393.432 1.802 20 0 GDADMM O=S(=O)(NCc1cccc(-c2ccccn2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826491767 948404206 /nfs/dbraw/zinc/40/42/06/948404206.db2.gz ACIWFGHFBFOFFO-UHFFFAOYSA-N -1 1 393.432 1.802 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CC[C@@H](Cc2ccncc2)C1 ZINC000826495368 948409969 /nfs/dbraw/zinc/40/99/69/948409969.db2.gz NDRKGCAGRDMLRM-ZDUSSCGKSA-N -1 1 388.428 1.654 20 0 GDADMM C[C@H](C(=O)NCCC1(CNc2ccc(-c3nnn[n-]3)nn2)CC1)C(C)(F)F ZINC001573706649 948422753 /nfs/dbraw/zinc/42/27/53/948422753.db2.gz KAVSYNVPXJWQHQ-SNVBAGLBSA-N -1 1 380.403 1.646 20 0 GDADMM C[C@H](C(=O)NCCC1(CNc2ccc(-c3nn[n-]n3)nn2)CC1)C(C)(F)F ZINC001573706649 948422755 /nfs/dbraw/zinc/42/27/55/948422755.db2.gz KAVSYNVPXJWQHQ-SNVBAGLBSA-N -1 1 380.403 1.646 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1)C(C)(C)C ZINC001573707522 948435429 /nfs/dbraw/zinc/43/54/29/948435429.db2.gz OBYJNSMKLKPCDI-STQMWFEESA-N -1 1 392.529 1.927 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1)c1ccc(F)cc1F ZINC001573713607 948465633 /nfs/dbraw/zinc/46/56/33/948465633.db2.gz AEKNFEDYODVNOO-SNVBAGLBSA-N -1 1 388.382 1.291 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1)c1ccc(F)cc1F ZINC001573713607 948465641 /nfs/dbraw/zinc/46/56/41/948465641.db2.gz AEKNFEDYODVNOO-SNVBAGLBSA-N -1 1 388.382 1.291 20 0 GDADMM C[C@H](C(=O)NCC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001573715523 948493662 /nfs/dbraw/zinc/49/36/62/948493662.db2.gz YBCZVWLDCTWHCQ-ZIAGYGMSSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@H](C(=O)NCC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001573715523 948493670 /nfs/dbraw/zinc/49/36/70/948493670.db2.gz YBCZVWLDCTWHCQ-ZIAGYGMSSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1ccnc(-c2nn[n-]n2)n1)c1c(F)cccc1F ZINC001573720728 948535027 /nfs/dbraw/zinc/53/50/27/948535027.db2.gz SJQFJERKYGXMTO-SNVBAGLBSA-N -1 1 388.382 1.291 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C(C)(F)F ZINC001573725557 948544458 /nfs/dbraw/zinc/54/44/58/948544458.db2.gz AWQRFEFHNBXLCG-GARJFASQSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C(C)(F)F ZINC001573725557 948544465 /nfs/dbraw/zinc/54/44/65/948544465.db2.gz AWQRFEFHNBXLCG-GARJFASQSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@H](C(=O)NC[C@]12CCC[C@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2)C1CC1 ZINC001573730961 948585311 /nfs/dbraw/zinc/58/53/11/948585311.db2.gz UEAFKRDOGJWLBK-IOHHAYIISA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](C(=O)NC[C@]12CCC[C@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2)C1CC1 ZINC001573730961 948585319 /nfs/dbraw/zinc/58/53/19/948585319.db2.gz UEAFKRDOGJWLBK-IOHHAYIISA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H](C)c1ccc(F)cc1F ZINC001573739172 948618016 /nfs/dbraw/zinc/61/80/16/948618016.db2.gz ACHAAVREAMKDPB-ZJUUUORDSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H](C)c1ccc(F)cc1F ZINC001573739172 948618020 /nfs/dbraw/zinc/61/80/20/948618020.db2.gz ACHAAVREAMKDPB-ZJUUUORDSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)c1c(F)cccc1F ZINC001573742046 948658975 /nfs/dbraw/zinc/65/89/75/948658975.db2.gz HQMNXIVZVXMBOZ-ZJUUUORDSA-N -1 1 388.382 1.077 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)c1cccc(Cl)c1 ZINC001573742273 948661350 /nfs/dbraw/zinc/66/13/50/948661350.db2.gz JUTKSDCHRKXYRB-GHMZBOCLSA-N -1 1 386.847 1.452 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H](C)c1ccc(F)c(F)c1 ZINC001573742865 948665273 /nfs/dbraw/zinc/66/52/73/948665273.db2.gz RZUXTXGHAAMMDC-NXEZZACHSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H](C)c1ccc(F)c(F)c1 ZINC001573742865 948665283 /nfs/dbraw/zinc/66/52/83/948665283.db2.gz RZUXTXGHAAMMDC-NXEZZACHSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C)c1ccsc1 ZINC001573745263 948671211 /nfs/dbraw/zinc/67/12/11/948671211.db2.gz DLZYTAZHJXPIRJ-WZRBSPASSA-N -1 1 384.469 1.605 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C)c1ccsc1 ZINC001573745263 948671216 /nfs/dbraw/zinc/67/12/16/948671216.db2.gz DLZYTAZHJXPIRJ-WZRBSPASSA-N -1 1 384.469 1.605 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C)c1cccc(F)c1 ZINC001573745610 948673688 /nfs/dbraw/zinc/67/36/88/948673688.db2.gz FULQCYWGJKLXDL-ZOWXZIJZSA-N -1 1 396.430 1.683 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C)c1cccc(F)c1 ZINC001573745610 948673692 /nfs/dbraw/zinc/67/36/92/948673692.db2.gz FULQCYWGJKLXDL-ZOWXZIJZSA-N -1 1 396.430 1.683 20 0 GDADMM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)c1ccsc1 ZINC001573752546 948714708 /nfs/dbraw/zinc/71/47/08/948714708.db2.gz NYWMPYNDVDSYOH-APAOZMKASA-N -1 1 382.453 1.073 20 0 GDADMM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)c1ccsc1 ZINC001573752546 948714714 /nfs/dbraw/zinc/71/47/14/948714714.db2.gz NYWMPYNDVDSYOH-APAOZMKASA-N -1 1 382.453 1.073 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1)C1CCCC1 ZINC001573753613 948719405 /nfs/dbraw/zinc/71/94/05/948719405.db2.gz WDJLIRJAFCQUFN-ATGSNQNLSA-N -1 1 382.472 1.709 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1)C1CCCC1 ZINC001573753613 948719412 /nfs/dbraw/zinc/71/94/12/948719412.db2.gz WDJLIRJAFCQUFN-ATGSNQNLSA-N -1 1 382.472 1.709 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@@H]2CCCCN2c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575222204 948754895 /nfs/dbraw/zinc/75/48/95/948754895.db2.gz GIEZYWCRSCQJJQ-NSHDSACASA-N -1 1 392.414 1.567 20 0 GDADMM CC(F)(F)CC(=O)N[C@@]12CCC[C@H]1N(c1nccnc1-c1nnn[n-]1)CC2 ZINC001575223358 948763621 /nfs/dbraw/zinc/76/36/21/948763621.db2.gz AJWSYKIGDWRHFW-QLJPJBMISA-N -1 1 378.387 1.320 20 0 GDADMM CC(F)(F)CC(=O)N[C@@]12CCC[C@H]1N(c1nccnc1-c1nn[n-]n1)CC2 ZINC001575223358 948763633 /nfs/dbraw/zinc/76/36/33/948763633.db2.gz AJWSYKIGDWRHFW-QLJPJBMISA-N -1 1 378.387 1.320 20 0 GDADMM C[C@H](CNC(=O)CCc1c[nH]c2ccccc12)Nc1nccnc1-c1nnn[n-]1 ZINC001574915686 948770507 /nfs/dbraw/zinc/77/05/07/948770507.db2.gz WOZGYWVRDKAIFO-GFCCVEGCSA-N -1 1 391.439 1.687 20 0 GDADMM C[C@H](CNC(=O)CCc1c[nH]c2ccccc12)Nc1nccnc1-c1nn[n-]n1 ZINC001574915686 948770518 /nfs/dbraw/zinc/77/05/18/948770518.db2.gz WOZGYWVRDKAIFO-GFCCVEGCSA-N -1 1 391.439 1.687 20 0 GDADMM CC(F)(F)CC(=O)N1CCCCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575223849 948772164 /nfs/dbraw/zinc/77/21/64/948772164.db2.gz GOONNEZGWQMADT-NSHDSACASA-N -1 1 380.403 1.885 20 0 GDADMM CC(F)(F)CC(=O)N1CCCCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575223849 948772179 /nfs/dbraw/zinc/77/21/79/948772179.db2.gz GOONNEZGWQMADT-NSHDSACASA-N -1 1 380.403 1.885 20 0 GDADMM CC(C)[C@H](F)C(=O)NCc1ccc(CNc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001574080120 948782543 /nfs/dbraw/zinc/78/25/43/948782543.db2.gz HNWQHIIUINWWTR-INIZCTEOSA-N -1 1 384.419 1.879 20 0 GDADMM CC(C)[C@H](F)C(=O)NCc1ccc(CNc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001574080120 948782555 /nfs/dbraw/zinc/78/25/55/948782555.db2.gz HNWQHIIUINWWTR-INIZCTEOSA-N -1 1 384.419 1.879 20 0 GDADMM CC(C)c1ccccc1C(=O)N(C)CCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574419342 948784207 /nfs/dbraw/zinc/78/42/07/948784207.db2.gz BWYPVLBJQXQFTE-UHFFFAOYSA-N -1 1 380.456 1.989 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)Cc1ccccc1Cl ZINC001574679506 948784667 /nfs/dbraw/zinc/78/46/67/948784667.db2.gz WOVIEDJDPCJHMN-LLVKDONJSA-N -1 1 386.847 1.860 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)Cc1ccccc1Cl ZINC001574679506 948784677 /nfs/dbraw/zinc/78/46/77/948784677.db2.gz WOVIEDJDPCJHMN-LLVKDONJSA-N -1 1 386.847 1.860 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ncoc1C(C)(C)C ZINC001574679574 948787498 /nfs/dbraw/zinc/78/74/98/948787498.db2.gz YEUSUJIYHOVTEE-JTQLQIEISA-N -1 1 385.432 1.563 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ncoc1C(C)(C)C ZINC001574679574 948787513 /nfs/dbraw/zinc/78/75/13/948787513.db2.gz YEUSUJIYHOVTEE-JTQLQIEISA-N -1 1 385.432 1.563 20 0 GDADMM CC(C)c1nc(C(=O)N[C@H](C)CCNc2cnc(-c3nnn[n-]3)cn2)cs1 ZINC001574679643 948793484 /nfs/dbraw/zinc/79/34/84/948793484.db2.gz ZNBWCTKYHNAFPP-SNVBAGLBSA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)c1nc(C(=O)N[C@H](C)CCNc2cnc(-c3nn[n-]n3)cn2)cs1 ZINC001574679643 948793493 /nfs/dbraw/zinc/79/34/93/948793493.db2.gz ZNBWCTKYHNAFPP-SNVBAGLBSA-N -1 1 387.473 1.857 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C12CCC2 ZINC001575225157 948798871 /nfs/dbraw/zinc/79/88/71/948798871.db2.gz XFUWRKKRVPCGQE-ZJUUUORDSA-N -1 1 378.387 1.541 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C12CCC2 ZINC001575225157 948798883 /nfs/dbraw/zinc/79/88/83/948798883.db2.gz XFUWRKKRVPCGQE-ZJUUUORDSA-N -1 1 378.387 1.541 20 0 GDADMM CC(F)(F)CC(=O)NC1(C2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)CC1 ZINC001575225139 948799371 /nfs/dbraw/zinc/79/93/71/948799371.db2.gz XDCYXKJOOPFSQE-UHFFFAOYSA-N -1 1 392.414 1.567 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001575225271 948803402 /nfs/dbraw/zinc/80/34/02/948803402.db2.gz YLYLDTATPHVKOD-NSHDSACASA-N -1 1 380.403 1.211 20 0 GDADMM CC(C)[C@H](F)C(=O)NCCC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001574080795 948807566 /nfs/dbraw/zinc/80/75/66/948807566.db2.gz NNPWUAIOGIBPHF-ZDUSSCGKSA-N -1 1 376.440 1.374 20 0 GDADMM CC(C)[C@H](F)C(=O)NCCC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001574080795 948807580 /nfs/dbraw/zinc/80/75/80/948807580.db2.gz NNPWUAIOGIBPHF-ZDUSSCGKSA-N -1 1 376.440 1.374 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)CC[C@@H]21 ZINC001575225513 948810950 /nfs/dbraw/zinc/81/09/50/948810950.db2.gz DOENZEBRGJYUPK-AAEUAGOBSA-N -1 1 392.414 1.519 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)CC[C@@H]21 ZINC001575225513 948810970 /nfs/dbraw/zinc/81/09/70/948810970.db2.gz DOENZEBRGJYUPK-AAEUAGOBSA-N -1 1 392.414 1.519 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1csc(Cl)c1 ZINC001574681313 948815448 /nfs/dbraw/zinc/81/54/48/948815448.db2.gz LHBTYVCZQFJYNQ-QMMMGPOBSA-N -1 1 378.849 1.992 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1csc(Cl)c1 ZINC001574681313 948815463 /nfs/dbraw/zinc/81/54/63/948815463.db2.gz LHBTYVCZQFJYNQ-QMMMGPOBSA-N -1 1 378.849 1.992 20 0 GDADMM CC(C)c1ccoc1C(=O)NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001574421316 948816051 /nfs/dbraw/zinc/81/60/51/948816051.db2.gz IWJPWEKDOWRJLL-GFCCVEGCSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1ccoc1C(=O)NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001574421316 948816072 /nfs/dbraw/zinc/81/60/72/948816072.db2.gz IWJPWEKDOWRJLL-GFCCVEGCSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1ccoc1C(=O)NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001574421715 948819109 /nfs/dbraw/zinc/81/91/09/948819109.db2.gz NFEKEUYSTALQDN-UHFFFAOYSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1cc(C(=O)N[C@@H](C)CCNc2cncc(-c3nnn[n-]3)n2)n(C)n1 ZINC001574681837 948822265 /nfs/dbraw/zinc/82/22/65/948822265.db2.gz OHFCRCWVVXEGIF-NSHDSACASA-N -1 1 384.448 1.134 20 0 GDADMM CC(C)c1cc(C(=O)N[C@@H](C)CCNc2cncc(-c3nn[n-]n3)n2)n(C)n1 ZINC001574681837 948822271 /nfs/dbraw/zinc/82/22/71/948822271.db2.gz OHFCRCWVVXEGIF-NSHDSACASA-N -1 1 384.448 1.134 20 0 GDADMM CC(C)c1ccoc1C(=O)NCC1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574421815 948824067 /nfs/dbraw/zinc/82/40/67/948824067.db2.gz QESGWZZJGXEYDJ-UHFFFAOYSA-N -1 1 382.428 1.416 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@H]2[C@@H](CCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575227076 948825474 /nfs/dbraw/zinc/82/54/74/948825474.db2.gz RMPJWXCATJAQAB-JQWIXIFHSA-N -1 1 378.387 1.129 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@H]2[C@@H](CCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575227076 948825496 /nfs/dbraw/zinc/82/54/96/948825496.db2.gz RMPJWXCATJAQAB-JQWIXIFHSA-N -1 1 378.387 1.129 20 0 GDADMM CC(C)c1ccoc1C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001574421984 948825734 /nfs/dbraw/zinc/82/57/34/948825734.db2.gz SSWNJXJHEKRYBL-BXUZGUMPSA-N -1 1 382.428 1.628 20 0 GDADMM CC(C)c1ccoc1C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001574421984 948825745 /nfs/dbraw/zinc/82/57/45/948825745.db2.gz SSWNJXJHEKRYBL-BXUZGUMPSA-N -1 1 382.428 1.628 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001575227363 948828159 /nfs/dbraw/zinc/82/81/59/948828159.db2.gz UYBJOEKUGQYQPS-MRXNPFEDSA-N -1 1 378.387 1.131 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001575227363 948828175 /nfs/dbraw/zinc/82/81/75/948828175.db2.gz UYBJOEKUGQYQPS-MRXNPFEDSA-N -1 1 378.387 1.131 20 0 GDADMM C[C@@H](CNC(=O)CCCc1ccccn1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574918194 948836050 /nfs/dbraw/zinc/83/60/50/948836050.db2.gz HBWUNVHUQKNAQM-CYBMUJFWSA-N -1 1 381.444 1.239 20 0 GDADMM C[C@@H](CNC(=O)CCCc1ccccn1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574918194 948836059 /nfs/dbraw/zinc/83/60/59/948836059.db2.gz HBWUNVHUQKNAQM-CYBMUJFWSA-N -1 1 381.444 1.239 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1 ZINC001573761658 948845375 /nfs/dbraw/zinc/84/53/75/948845375.db2.gz KMBDXYAQQQYHHU-AWEZNQCLSA-N -1 1 392.467 1.895 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1 ZINC001573761658 948845380 /nfs/dbraw/zinc/84/53/80/948845380.db2.gz KMBDXYAQQQYHHU-AWEZNQCLSA-N -1 1 392.467 1.895 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)C(F)F ZINC001573762034 948852451 /nfs/dbraw/zinc/85/24/51/948852451.db2.gz PRNDYDQTIRAJRN-AOOOYVTPSA-N -1 1 378.387 1.128 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)C(F)F ZINC001573762034 948852458 /nfs/dbraw/zinc/85/24/58/948852458.db2.gz PRNDYDQTIRAJRN-AOOOYVTPSA-N -1 1 378.387 1.128 20 0 GDADMM CC(F)(F)CC(=O)NC[C@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001575229835 948859977 /nfs/dbraw/zinc/85/99/77/948859977.db2.gz VVNMWENKINAENK-SJKOYZFVSA-N -1 1 392.414 1.567 20 0 GDADMM CC(F)(F)CC(=O)NC[C@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001575229835 948859994 /nfs/dbraw/zinc/85/99/94/948859994.db2.gz VVNMWENKINAENK-SJKOYZFVSA-N -1 1 392.414 1.567 20 0 GDADMM CC(C)(C(=O)N1CC[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1)C(F)F ZINC001573763087 948863362 /nfs/dbraw/zinc/86/33/62/948863362.db2.gz AKWGUHZPTOPMJX-KRWDZBQOSA-N -1 1 392.414 1.377 20 0 GDADMM CC(C)(C(=O)N1CC[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1)C(F)F ZINC001573763087 948863382 /nfs/dbraw/zinc/86/33/82/948863382.db2.gz AKWGUHZPTOPMJX-KRWDZBQOSA-N -1 1 392.414 1.377 20 0 GDADMM CC(C)(C(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)C(F)F ZINC001573763122 948864081 /nfs/dbraw/zinc/86/40/81/948864081.db2.gz BKMWSUGXTVHQAV-JTQLQIEISA-N -1 1 380.403 1.163 20 0 GDADMM CC(C)(C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573763178 948868201 /nfs/dbraw/zinc/86/82/01/948868201.db2.gz CNFYYSJOAKKHIH-VIFPVBQESA-N -1 1 384.366 1.070 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)c1cccnc1 ZINC001574684422 948870839 /nfs/dbraw/zinc/87/08/39/948870839.db2.gz FZAAVZHRVUQUHP-QMMMGPOBSA-N -1 1 378.849 1.992 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)c1cccnc1 ZINC001574684422 948870863 /nfs/dbraw/zinc/87/08/63/948870863.db2.gz FZAAVZHRVUQUHP-QMMMGPOBSA-N -1 1 378.849 1.992 20 0 GDADMM CC(F)(F)CC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCCCC1 ZINC001575231968 948876048 /nfs/dbraw/zinc/87/60/48/948876048.db2.gz CCNXXLQJHUSDHF-UHFFFAOYSA-N -1 1 380.403 1.933 20 0 GDADMM CC(F)(F)CC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCCCC1 ZINC001575231968 948876062 /nfs/dbraw/zinc/87/60/62/948876062.db2.gz CCNXXLQJHUSDHF-UHFFFAOYSA-N -1 1 380.403 1.933 20 0 GDADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)C[C@H]1CCOC1 ZINC001574684697 948880603 /nfs/dbraw/zinc/88/06/03/948880603.db2.gz KYXCBJNIYHQMPV-RKDXNWHRSA-N -1 1 385.881 1.710 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cccnc1 ZINC001573764683 948893341 /nfs/dbraw/zinc/89/33/41/948893341.db2.gz QIJSUPGRMXRGAK-CYBMUJFWSA-N -1 1 379.428 1.042 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573764683 948893353 /nfs/dbraw/zinc/89/33/53/948893353.db2.gz QIJSUPGRMXRGAK-CYBMUJFWSA-N -1 1 379.428 1.042 20 0 GDADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)Cc1cc[nH]n1 ZINC001574684899 948893406 /nfs/dbraw/zinc/89/34/06/948893406.db2.gz OVVKCRREXJAQNS-ZETCQYMHSA-N -1 1 381.853 1.249 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@@H]2C1 ZINC001575234217 948894080 /nfs/dbraw/zinc/89/40/80/948894080.db2.gz PQJLNZAPKDULHO-SDDRHHMPSA-N -1 1 392.414 1.423 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@@H]2C1 ZINC001575234217 948894098 /nfs/dbraw/zinc/89/40/98/948894098.db2.gz PQJLNZAPKDULHO-SDDRHHMPSA-N -1 1 392.414 1.423 20 0 GDADMM CC(C)(C(=O)N1CCC[C@H]2[C@H]1CCN2c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573764925 948895485 /nfs/dbraw/zinc/89/54/85/948895485.db2.gz RMZKSMUCBKQHAN-LSDHHAIUSA-N -1 1 382.472 1.663 20 0 GDADMM CC(C)(C(=O)N1CCC[C@H]2[C@H]1CCN2c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573764925 948895498 /nfs/dbraw/zinc/89/54/98/948895498.db2.gz RMZKSMUCBKQHAN-LSDHHAIUSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)C1CCOCC1 ZINC001574685191 948903001 /nfs/dbraw/zinc/90/30/01/948903001.db2.gz SFJDYYJNQBZHGB-QMMMGPOBSA-N -1 1 385.881 1.710 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)C1CCOCC1 ZINC001574685191 948903014 /nfs/dbraw/zinc/90/30/14/948903014.db2.gz SFJDYYJNQBZHGB-QMMMGPOBSA-N -1 1 385.881 1.710 20 0 GDADMM CC(C)(C(=O)N1CCCO[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)C1CC1 ZINC001573765416 948910402 /nfs/dbraw/zinc/91/04/02/948910402.db2.gz DJZDRJPOTHQUQP-ZDUSSCGKSA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)(C(=O)N1CCCO[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)C1CC1 ZINC001573765416 948910416 /nfs/dbraw/zinc/91/04/16/948910416.db2.gz DJZDRJPOTHQUQP-ZDUSSCGKSA-N -1 1 386.460 1.122 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001575235116 948912580 /nfs/dbraw/zinc/91/25/80/948912580.db2.gz IYLWMLHZBWMCEC-OLZOCXBDSA-N -1 1 392.414 1.662 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001575235116 948912595 /nfs/dbraw/zinc/91/25/95/948912595.db2.gz IYLWMLHZBWMCEC-OLZOCXBDSA-N -1 1 392.414 1.662 20 0 GDADMM CC(F)(F)CCC(=O)N1C[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001575235167 948913418 /nfs/dbraw/zinc/91/34/18/948913418.db2.gz KDISORLSCQXDSP-NEPJUHHUSA-N -1 1 392.414 1.377 20 0 GDADMM CC(C)[C@@]1(C)C[C@H]1C(=O)NC1(C)CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574088184 948914230 /nfs/dbraw/zinc/91/42/30/948914230.db2.gz DDQYQJYXRGOADV-ORAYPTAESA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)[C@@]1(C)C[C@H]1C(=O)NC1(C)CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574088184 948914237 /nfs/dbraw/zinc/91/42/37/948914237.db2.gz DDQYQJYXRGOADV-ORAYPTAESA-N -1 1 384.488 1.814 20 0 GDADMM CC[C@](O)(C[N@H+]1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-])C(F)(F)F ZINC001589572389 948917158 /nfs/dbraw/zinc/91/71/58/948917158.db2.gz DDLJYEWYUSNSRG-LAEOZQHASA-N -1 1 380.285 1.286 20 0 GDADMM CC(C)[C@@H]1C[C@@H](C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CCO1 ZINC001574088317 948917810 /nfs/dbraw/zinc/91/78/10/948917810.db2.gz AUGPUMWDIATKCN-ABHRYQDASA-N -1 1 386.460 1.167 20 0 GDADMM CC(C)[C@@H]1C[C@@H](C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CCO1 ZINC001574088317 948917818 /nfs/dbraw/zinc/91/78/18/948917818.db2.gz AUGPUMWDIATKCN-ABHRYQDASA-N -1 1 386.460 1.167 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)NCCC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001574088440 948925577 /nfs/dbraw/zinc/92/55/77/948925577.db2.gz CLHRJVODRLZOSG-CABCVRRESA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)NCCC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001574088440 948925590 /nfs/dbraw/zinc/92/55/90/948925590.db2.gz CLHRJVODRLZOSG-CABCVRRESA-N -1 1 384.488 1.672 20 0 GDADMM CC(F)(F)CCC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@]2(C)C1 ZINC001575236132 948935866 /nfs/dbraw/zinc/93/58/66/948935866.db2.gz WJFHLVPRDZNQAS-BZNIZROVSA-N -1 1 392.414 1.377 20 0 GDADMM CC(F)(F)CCC(=O)NC[C@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575237326 948945338 /nfs/dbraw/zinc/94/53/38/948945338.db2.gz DYMHCHZZWJOZMX-LLVKDONJSA-N -1 1 380.403 1.567 20 0 GDADMM CC(F)(F)CCC(=O)NC[C@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575237326 948945353 /nfs/dbraw/zinc/94/53/53/948945353.db2.gz DYMHCHZZWJOZMX-LLVKDONJSA-N -1 1 380.403 1.567 20 0 GDADMM CC(C)[C@H]1C[C@H](C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CCO1 ZINC001574089191 948949210 /nfs/dbraw/zinc/94/92/10/948949210.db2.gz DJYMSAIQWANZRJ-RGCMKSIDSA-N -1 1 386.460 1.167 20 0 GDADMM CC(C)[C@H]1C[C@H](C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CCO1 ZINC001574089191 948949231 /nfs/dbraw/zinc/94/92/31/948949231.db2.gz DJYMSAIQWANZRJ-RGCMKSIDSA-N -1 1 386.460 1.167 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nnn[n-]3)n1)C2)C1CC1 ZINC001573772316 948954719 /nfs/dbraw/zinc/95/47/19/948954719.db2.gz UEGOTMMHRLRVRD-UBHSHLNASA-N -1 1 382.472 1.566 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nn[n-]n3)n1)C2)C1CC1 ZINC001573772316 948954728 /nfs/dbraw/zinc/95/47/28/948954728.db2.gz UEGOTMMHRLRVRD-UBHSHLNASA-N -1 1 382.472 1.566 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)C(C)(C)[C@H]1CCCCO1 ZINC001574688909 948972849 /nfs/dbraw/zinc/97/28/49/948972849.db2.gz BYRNGIYPWOFDBO-CHWSQXEVSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)C(C)(C)[C@H]1CCCCO1 ZINC001574688909 948972864 /nfs/dbraw/zinc/97/28/64/948972864.db2.gz BYRNGIYPWOFDBO-CHWSQXEVSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)c1nnc(N2CC[C@@]3(CCOC3)C2)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001574434997 948986179 /nfs/dbraw/zinc/98/61/79/948986179.db2.gz OKASKUUZWPUPIO-GOSISDBHSA-N -1 1 384.444 1.840 20 0 GDADMM CC(C)c1nnc(N2CC[C@@]3(CCOC3)C2)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001574434997 948986195 /nfs/dbraw/zinc/98/61/95/948986195.db2.gz OKASKUUZWPUPIO-GOSISDBHSA-N -1 1 384.444 1.840 20 0 GDADMM CC(C)[C@]1(C)C[C@H]1C(=O)N1CCC(CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574091671 949024953 /nfs/dbraw/zinc/02/49/53/949024953.db2.gz QAYPPIGQFKSWFA-LIRRHRJNSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)[C@]1(C)C[C@H]1C(=O)N1CCC(CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574091671 949024970 /nfs/dbraw/zinc/02/49/70/949024970.db2.gz QAYPPIGQFKSWFA-LIRRHRJNSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H](C)Oc1ccccc1 ZINC001574691429 949027221 /nfs/dbraw/zinc/02/72/21/949027221.db2.gz XQEXDQCXKTZQHL-OLZOCXBDSA-N -1 1 382.428 1.431 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H](C)Oc1ccccc1 ZINC001574691429 949027245 /nfs/dbraw/zinc/02/72/45/949027245.db2.gz XQEXDQCXKTZQHL-OLZOCXBDSA-N -1 1 382.428 1.431 20 0 GDADMM CC(C)(C(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1)C(F)(F)F ZINC001573774903 949028172 /nfs/dbraw/zinc/02/81/72/949028172.db2.gz YGFZBPLEGMQFTO-UHFFFAOYSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(C(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1)C(F)(F)F ZINC001573774903 949028186 /nfs/dbraw/zinc/02/81/86/949028186.db2.gz YGFZBPLEGMQFTO-UHFFFAOYSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@@H](Nc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001574441096 949047663 /nfs/dbraw/zinc/04/76/63/949047663.db2.gz BIHXFFOMARGIOE-GFCCVEGCSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@@H](Nc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001574441096 949047684 /nfs/dbraw/zinc/04/76/84/949047684.db2.gz BIHXFFOMARGIOE-GFCCVEGCSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)C(F)F ZINC001573778986 949049201 /nfs/dbraw/zinc/04/92/01/949049201.db2.gz BOPMGKDFENKFPO-JTQLQIEISA-N -1 1 380.403 1.281 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)C(F)F ZINC001573778986 949049222 /nfs/dbraw/zinc/04/92/22/949049222.db2.gz BOPMGKDFENKFPO-JTQLQIEISA-N -1 1 380.403 1.281 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574441447 949059399 /nfs/dbraw/zinc/05/93/99/949059399.db2.gz KVQVNYVDDGVSCD-XYPYZODXSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574441447 949059413 /nfs/dbraw/zinc/05/94/13/949059413.db2.gz KVQVNYVDDGVSCD-XYPYZODXSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1occc1C(=O)N1C[C@@H](C)[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574441797 949078690 /nfs/dbraw/zinc/07/86/90/949078690.db2.gz XHYCAEQKSKMLDZ-YPMHNXCESA-N -1 1 382.428 1.368 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCCCN1c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573780278 949086507 /nfs/dbraw/zinc/08/65/07/949086507.db2.gz UZRJZGJHKIBLEO-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCCCN1c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573780278 949086521 /nfs/dbraw/zinc/08/65/21/949086521.db2.gz UZRJZGJHKIBLEO-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC[C@@]1(C(=O)[O-])CCCN(C(=O)Cc2c(C)nc(-c3ncccn3)[nH]c2=O)C1 ZINC001589591454 949088985 /nfs/dbraw/zinc/08/89/85/949088985.db2.gz GGTPFJSQKKRFMK-LJQANCHMSA-N -1 1 385.424 1.594 20 0 GDADMM CC(C)c1nocc1C(=O)N1C[C@H](Nc2nccnc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001574442098 949090110 /nfs/dbraw/zinc/09/01/10/949090110.db2.gz KQTXUWKZUUBYSK-JQWIXIFHSA-N -1 1 383.416 1.341 20 0 GDADMM CC(C)c1nocc1C(=O)N1C[C@H](Nc2nccnc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001574442098 949090126 /nfs/dbraw/zinc/09/01/26/949090126.db2.gz KQTXUWKZUUBYSK-JQWIXIFHSA-N -1 1 383.416 1.341 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001574442370 949094941 /nfs/dbraw/zinc/09/49/41/949094941.db2.gz NAFLVTXAKPFKCO-NSHDSACASA-N -1 1 383.416 1.167 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)c1cncnc1 ZINC001574694857 949096704 /nfs/dbraw/zinc/09/67/04/949096704.db2.gz XDNAFFSCTUPCCI-SSDOTTSWSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)c1cncnc1 ZINC001574694857 949096723 /nfs/dbraw/zinc/09/67/23/949096723.db2.gz XDNAFFSCTUPCCI-SSDOTTSWSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@H](NC(=O)C1(C(F)F)CC1)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575249427 949098659 /nfs/dbraw/zinc/09/86/59/949098659.db2.gz BSMZFAHLPUPSRL-WDEREUQCSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)c1cccnc1)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575249421 949099390 /nfs/dbraw/zinc/09/93/90/949099390.db2.gz BRUAWZFDORQEDD-VXGBXAGGSA-N -1 1 381.444 1.335 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)c1cccnc1)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575249421 949099408 /nfs/dbraw/zinc/09/94/08/949099408.db2.gz BRUAWZFDORQEDD-VXGBXAGGSA-N -1 1 381.444 1.335 20 0 GDADMM C[C@H](N1CCN(C(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)CC1)C(F)(F)F ZINC001575249602 949103624 /nfs/dbraw/zinc/10/36/24/949103624.db2.gz ZFRZZPPWQDRZSM-QMMMGPOBSA-N -1 1 389.769 1.624 20 0 GDADMM CC(C)c1nocc1C(=O)N(C)CCCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574443083 949105654 /nfs/dbraw/zinc/10/56/54/949105654.db2.gz UYTVILRAVRNOHK-UHFFFAOYSA-N -1 1 385.432 1.367 20 0 GDADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)NC1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574093435 949107348 /nfs/dbraw/zinc/10/73/48/949107348.db2.gz YAKXBHHAPSFMKP-BFUOFWGJSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)NC1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574093435 949107358 /nfs/dbraw/zinc/10/73/58/949107358.db2.gz YAKXBHHAPSFMKP-BFUOFWGJSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)c1occc1C(=O)NC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001574445737 949111901 /nfs/dbraw/zinc/11/19/01/949111901.db2.gz AUUNDQVZIIPXNP-CYBMUJFWSA-N -1 1 384.444 1.662 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cccc2n[nH]cc21 ZINC001574695965 949120810 /nfs/dbraw/zinc/12/08/10/949120810.db2.gz LFIIQDLAYSNNOG-SNVBAGLBSA-N -1 1 378.400 1.154 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cccc2n[nH]cc21 ZINC001574695965 949120823 /nfs/dbraw/zinc/12/08/23/949120823.db2.gz LFIIQDLAYSNNOG-SNVBAGLBSA-N -1 1 378.400 1.154 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cccc2[nH]ccc21 ZINC001574696023 949121093 /nfs/dbraw/zinc/12/10/93/949121093.db2.gz LZCJPHPLPUPPKF-NSHDSACASA-N -1 1 377.412 1.759 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cccc2[nH]ccc21 ZINC001574696023 949121107 /nfs/dbraw/zinc/12/11/07/949121107.db2.gz LZCJPHPLPUPPKF-NSHDSACASA-N -1 1 377.412 1.759 20 0 GDADMM C[C@@H](NC(=O)C1(C(F)F)CCCC1)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575250931 949122322 /nfs/dbraw/zinc/12/23/22/949122322.db2.gz JEDAWPFFAZUYLP-NXEZZACHSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@@H](NC(=O)C1(C(F)F)CCCC1)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575250931 949122338 /nfs/dbraw/zinc/12/23/38/949122338.db2.gz JEDAWPFFAZUYLP-NXEZZACHSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)C1CCOCC1)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575251064 949126200 /nfs/dbraw/zinc/12/62/00/949126200.db2.gz KQGZGJBSGGFDLJ-VXGBXAGGSA-N -1 1 388.476 1.415 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)C1CCOCC1)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575251064 949126190 /nfs/dbraw/zinc/12/61/90/949126190.db2.gz KQGZGJBSGGFDLJ-VXGBXAGGSA-N -1 1 388.476 1.415 20 0 GDADMM CC(C)[C@@H]1CCC[C@@H](NC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC1 ZINC001574094128 949127294 /nfs/dbraw/zinc/12/72/94/949127294.db2.gz XRMWOHYGKZXLNO-CHWSQXEVSA-N -1 1 389.460 1.240 20 0 GDADMM C[C@H](NC(=O)C(C)(C)C1CCOCC1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575251223 949132593 /nfs/dbraw/zinc/13/25/93/949132593.db2.gz MFQMAIJTTUIZFG-RYUDHWBXSA-N -1 1 388.476 1.415 20 0 GDADMM C[C@H](NC(=O)C(C)(C)C1CCOCC1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575251223 949132612 /nfs/dbraw/zinc/13/26/12/949132612.db2.gz MFQMAIJTTUIZFG-RYUDHWBXSA-N -1 1 388.476 1.415 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)NCc1ccc(CNc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001574094233 949135030 /nfs/dbraw/zinc/13/50/30/949135030.db2.gz YGTGKWNZPIIUON-HOTGVXAUSA-N -1 1 392.467 1.599 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CC[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574446622 949138426 /nfs/dbraw/zinc/13/84/26/949138426.db2.gz SZWWEUCIBSDXBK-LLVKDONJSA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CC[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574446622 949138440 /nfs/dbraw/zinc/13/84/40/949138440.db2.gz SZWWEUCIBSDXBK-LLVKDONJSA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1occc1C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574446769 949138890 /nfs/dbraw/zinc/13/88/90/949138890.db2.gz VGFQDUMIAXHAKU-LBPRGKRZSA-N -1 1 382.428 1.629 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)CCCc1ccccn1 ZINC001574696804 949142267 /nfs/dbraw/zinc/14/22/67/949142267.db2.gz UQZCCQYHMGLHLX-CYBMUJFWSA-N -1 1 381.444 1.381 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)CCCc1ccccn1 ZINC001574696804 949142273 /nfs/dbraw/zinc/14/22/73/949142273.db2.gz UQZCCQYHMGLHLX-CYBMUJFWSA-N -1 1 381.444 1.381 20 0 GDADMM CC(C)c1ocnc1C(=O)NC1CC(CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574446899 949147104 /nfs/dbraw/zinc/14/71/04/949147104.db2.gz AGGUZTPSLMLBBS-UHFFFAOYSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1ocnc1C(=O)NC1CC(CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574446899 949147113 /nfs/dbraw/zinc/14/71/13/949147113.db2.gz AGGUZTPSLMLBBS-UHFFFAOYSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)CC(=O)N(C)C[C@@H](O)CN(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574098488 949159619 /nfs/dbraw/zinc/15/96/19/949159619.db2.gz AWUKJSXQCRNTGR-SECBINFHSA-N -1 1 387.897 1.278 20 0 GDADMM CC(C)CC(=O)N(C)C[C@@H](O)CN(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574098488 949159633 /nfs/dbraw/zinc/15/96/33/949159633.db2.gz AWUKJSXQCRNTGR-SECBINFHSA-N -1 1 387.897 1.278 20 0 GDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](C)NC(=O)C(C)(C)c1ccccc1 ZINC001575252266 949159611 /nfs/dbraw/zinc/15/96/11/949159611.db2.gz QDICSFBVFJRLNA-OLZOCXBDSA-N -1 1 380.456 1.940 20 0 GDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](C)NC(=O)C(C)(C)c1ccccc1 ZINC001575252266 949159630 /nfs/dbraw/zinc/15/96/30/949159630.db2.gz QDICSFBVFJRLNA-OLZOCXBDSA-N -1 1 380.456 1.940 20 0 GDADMM CC(C)c1oncc1C(=O)N(C)CCCN(C)c1nccnc1-c1nnn[n-]1 ZINC001574448794 949191834 /nfs/dbraw/zinc/19/18/34/949191834.db2.gz MFHMCVXWIREDNN-UHFFFAOYSA-N -1 1 385.432 1.367 20 0 GDADMM CC(C)c1oncc1C(=O)N(C)CCCN(C)c1nccnc1-c1nn[n-]n1 ZINC001574448794 949191845 /nfs/dbraw/zinc/19/18/45/949191845.db2.gz MFHMCVXWIREDNN-UHFFFAOYSA-N -1 1 385.432 1.367 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H](C)c1ccccc1F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574698492 949194359 /nfs/dbraw/zinc/19/43/59/949194359.db2.gz LNWGKKVJGNSJRB-VXGBXAGGSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H](C)c1ccccc1F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574698492 949194373 /nfs/dbraw/zinc/19/43/73/949194373.db2.gz LNWGKKVJGNSJRB-VXGBXAGGSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@H](CNC(=O)C[C@H]1CCOC1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574935411 949202373 /nfs/dbraw/zinc/20/23/73/949202373.db2.gz BQOHLARPJSOCSD-RKDXNWHRSA-N -1 1 385.881 1.344 20 0 GDADMM C[C@H](NC(=O)C1(F)CCCC1)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575254650 949204410 /nfs/dbraw/zinc/20/44/10/949204410.db2.gz NNMVVFFSSBAOJH-QWHCGFSZSA-N -1 1 388.451 1.660 20 0 GDADMM C[C@H](NC(=O)C1(F)CCCC1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575254650 949204430 /nfs/dbraw/zinc/20/44/30/949204430.db2.gz NNMVVFFSSBAOJH-QWHCGFSZSA-N -1 1 388.451 1.660 20 0 GDADMM C[C@@H](NC(=O)C1(F)CCCC1)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575254649 949206418 /nfs/dbraw/zinc/20/64/18/949206418.db2.gz NNMVVFFSSBAOJH-OLZOCXBDSA-N -1 1 388.451 1.660 20 0 GDADMM C[C@@H](NC(=O)C1(F)CCCC1)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575254649 949206442 /nfs/dbraw/zinc/20/64/42/949206442.db2.gz NNMVVFFSSBAOJH-OLZOCXBDSA-N -1 1 388.451 1.660 20 0 GDADMM C[C@H]1CCC[C@]1(C)C(=O)N1CCC(N(C)c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576151228 949212430 /nfs/dbraw/zinc/21/24/30/949212430.db2.gz DUKSAXQTOCEGDP-DJJJIMSYSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CCC[C@]1(C)C(=O)N1CCC(N(C)c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576151228 949212451 /nfs/dbraw/zinc/21/24/51/949212451.db2.gz DUKSAXQTOCEGDP-DJJJIMSYSA-N -1 1 384.488 1.910 20 0 GDADMM O=C([O-])c1ccc(C(=O)N2C[C@H](O)C[C@H]2c2n[nH]c(-c3ccccc3)n2)nc1 ZINC001595215364 949215212 /nfs/dbraw/zinc/21/52/12/949215212.db2.gz AGWPDMFGZUOZML-HIFRSBDPSA-N -1 1 379.376 1.513 20 0 GDADMM O=C([O-])c1ccc(C(=O)N2C[C@H](O)C[C@H]2c2nc(-c3ccccc3)n[nH]2)nc1 ZINC001595215364 949215231 /nfs/dbraw/zinc/21/52/31/949215231.db2.gz AGWPDMFGZUOZML-HIFRSBDPSA-N -1 1 379.376 1.513 20 0 GDADMM CC(C)c1oncc1C(=O)NCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001574451280 949225356 /nfs/dbraw/zinc/22/53/56/949225356.db2.gz KBALGMHCCBOLGU-UHFFFAOYSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1oncc1C(=O)NCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001574451280 949225376 /nfs/dbraw/zinc/22/53/76/949225376.db2.gz KBALGMHCCBOLGU-UHFFFAOYSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001574451379 949230877 /nfs/dbraw/zinc/23/08/77/949230877.db2.gz OOGLPXMNPSLCJU-LLVKDONJSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001574451379 949230904 /nfs/dbraw/zinc/23/09/04/949230904.db2.gz OOGLPXMNPSLCJU-LLVKDONJSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)CC(=O)N1CCC(N(CC2CC2)c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574103194 949232578 /nfs/dbraw/zinc/23/25/78/949232578.db2.gz MNUPNLZUBIPDDQ-UHFFFAOYSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CC(=O)N1CCC(N(CC2CC2)c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574103194 949232597 /nfs/dbraw/zinc/23/25/97/949232597.db2.gz MNUPNLZUBIPDDQ-UHFFFAOYSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CC(=O)N1CCC([C@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574103214 949232882 /nfs/dbraw/zinc/23/28/82/949232882.db2.gz NMDDRGDEIVUDLU-OAHLLOKOSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001574451695 949236344 /nfs/dbraw/zinc/23/63/44/949236344.db2.gz UTXPLPNZHLKHMP-LBPRGKRZSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001574451695 949236367 /nfs/dbraw/zinc/23/63/67/949236367.db2.gz UTXPLPNZHLKHMP-LBPRGKRZSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1 ZINC001574451702 949237042 /nfs/dbraw/zinc/23/70/42/949237042.db2.gz VADCHRROTVHGGJ-NSHDSACASA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1 ZINC001574451702 949237062 /nfs/dbraw/zinc/23/70/62/949237062.db2.gz VADCHRROTVHGGJ-NSHDSACASA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)(C)C(=O)N1CCC[C@H](C(=O)NCc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573792342 949244741 /nfs/dbraw/zinc/24/47/41/949244741.db2.gz OESJRSVZRHAKRV-NSHDSACASA-N -1 1 376.486 1.829 20 0 GDADMM C[C@H](CN(C)C(=O)C1(c2ccccc2)CC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574701590 949264487 /nfs/dbraw/zinc/26/44/87/949264487.db2.gz CJDZGQXJIYRDFA-CYBMUJFWSA-N -1 1 378.440 1.647 20 0 GDADMM C[C@H](CN(C)C(=O)C1(c2ccccc2)CC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574701590 949264509 /nfs/dbraw/zinc/26/45/09/949264509.db2.gz CJDZGQXJIYRDFA-CYBMUJFWSA-N -1 1 378.440 1.647 20 0 GDADMM C[C@H](NC(=O)C1(F)CCCC1)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575257101 949269026 /nfs/dbraw/zinc/26/90/26/949269026.db2.gz YCJIDYLTNWSUKB-STQMWFEESA-N -1 1 388.451 1.660 20 0 GDADMM C[C@H](NC(=O)C1(F)CCCC1)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575257101 949269047 /nfs/dbraw/zinc/26/90/47/949269047.db2.gz YCJIDYLTNWSUKB-STQMWFEESA-N -1 1 388.451 1.660 20 0 GDADMM CC(C)n1cc(C(=O)NC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C2CC2)cn1 ZINC001574452973 949273828 /nfs/dbraw/zinc/27/38/28/949273828.db2.gz TYWXFWGHNPUWBU-AWEZNQCLSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cc(C(=O)NC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C2CC2)cn1 ZINC001574452973 949273847 /nfs/dbraw/zinc/27/38/47/949273847.db2.gz TYWXFWGHNPUWBU-AWEZNQCLSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@@H]1CCC[C@H](OCC(=O)NCC2(Nc3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001576153124 949276092 /nfs/dbraw/zinc/27/60/92/949276092.db2.gz KVCMVFSSCZKKOK-OLZOCXBDSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H]1CCC[C@H](OCC(=O)NCC2(Nc3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001576153124 949276114 /nfs/dbraw/zinc/27/61/14/949276114.db2.gz KVCMVFSSCZKKOK-OLZOCXBDSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc2cccnc21)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574940749 949276739 /nfs/dbraw/zinc/27/67/39/949276739.db2.gz JSGOSWVHRRSQSZ-GFCCVEGCSA-N -1 1 389.423 1.364 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc2cccnc21)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574940749 949276757 /nfs/dbraw/zinc/27/67/57/949276757.db2.gz JSGOSWVHRRSQSZ-GFCCVEGCSA-N -1 1 389.423 1.364 20 0 GDADMM CC1=C(C)C[C@@H](C(=O)NC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)C)CC1 ZINC001575860076 949288695 /nfs/dbraw/zinc/28/86/95/949288695.db2.gz CHAVFWWLBKNSGS-GJZGRUSLSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H]1CCC[C@@]1(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001576153553 949289518 /nfs/dbraw/zinc/28/95/18/949289518.db2.gz MKRXGCPYBNOWRR-WZFJYNIESA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H]1CCC[C@@]1(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001576153553 949289540 /nfs/dbraw/zinc/28/95/40/949289540.db2.gz MKRXGCPYBNOWRR-WZFJYNIESA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H](C)NC(=O)C1CC2(C1)CCOCC2 ZINC001575258121 949292709 /nfs/dbraw/zinc/29/27/09/949292709.db2.gz DZXVDGOGXGOQQH-NEPJUHHUSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H](C)NC(=O)C1CC2(C1)CCOCC2 ZINC001575258121 949292730 /nfs/dbraw/zinc/29/27/30/949292730.db2.gz DZXVDGOGXGOQQH-NEPJUHHUSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@H](CNC(=O)Cc1ccoc1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574941221 949293774 /nfs/dbraw/zinc/29/37/74/949293774.db2.gz BXEHDAVWWYJLAC-MRVPVSSYSA-N -1 1 381.849 1.753 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@]1(C)CCOC1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574702890 949298727 /nfs/dbraw/zinc/29/87/27/949298727.db2.gz NKOVUXZBBFKEQB-RTHLEPHNSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@]1(C)CCOC1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574702890 949298746 /nfs/dbraw/zinc/29/87/46/949298746.db2.gz NKOVUXZBBFKEQB-RTHLEPHNSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H]1CCC[C@H](C(=O)NCC2CCN(c3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001576153934 949304532 /nfs/dbraw/zinc/30/45/32/949304532.db2.gz NVMAZERNQAJVHO-HIFRSBDPSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H]1CCC[C@H](C(=O)NCC2CCN(c3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001576153934 949304552 /nfs/dbraw/zinc/30/45/52/949304552.db2.gz NVMAZERNQAJVHO-HIFRSBDPSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](NC(=O)C1CC(F)(F)C1)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575259440 949328615 /nfs/dbraw/zinc/32/86/15/949328615.db2.gz OLETWVRHFKSAIX-MNOVXSKESA-N -1 1 392.414 1.423 20 0 GDADMM C[C@@H](NC(=O)C1CC(F)(F)C1)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575259440 949328639 /nfs/dbraw/zinc/32/86/39/949328639.db2.gz OLETWVRHFKSAIX-MNOVXSKESA-N -1 1 392.414 1.423 20 0 GDADMM C[C@@H]1CCC[C@@H]1CC(=O)NC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576154246 949328959 /nfs/dbraw/zinc/32/89/59/949328959.db2.gz CTZRWTCPFZURBN-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCC[C@@H]1CC(=O)NC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576154246 949328979 /nfs/dbraw/zinc/32/89/79/949328979.db2.gz CTZRWTCPFZURBN-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCC[C@@H]1CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001576154566 949350848 /nfs/dbraw/zinc/35/08/48/949350848.db2.gz DXBIGILSCPFYSM-TUVASFSCSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H]1CCC[C@@H]1CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001576154566 949350866 /nfs/dbraw/zinc/35/08/66/949350866.db2.gz DXBIGILSCPFYSM-TUVASFSCSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H]1CCC[C@H]1CC(=O)NCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001576154849 949365262 /nfs/dbraw/zinc/36/52/62/949365262.db2.gz FUNDBTGRSMMTCP-HIFRSBDPSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H]1CCC[C@H]1CC(=O)NCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001576154849 949365283 /nfs/dbraw/zinc/36/52/83/949365283.db2.gz FUNDBTGRSMMTCP-HIFRSBDPSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](NC(=O)C1=CCOCC1)[C@@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575260900 949368259 /nfs/dbraw/zinc/36/82/59/949368259.db2.gz YJZKRCVCFDIRDN-HTQZYQBOSA-N -1 1 383.865 1.628 20 0 GDADMM C[C@@H](NC(=O)C1=CCOCC1)[C@@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575260900 949368277 /nfs/dbraw/zinc/36/82/77/949368277.db2.gz YJZKRCVCFDIRDN-HTQZYQBOSA-N -1 1 383.865 1.628 20 0 GDADMM CC(C)CC(=O)N[C@@H]1[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)[C@H]2C1(C)C ZINC001574111012 949369677 /nfs/dbraw/zinc/36/96/77/949369677.db2.gz CZKZXPIAYXOBHK-DAXOMENPSA-N -1 1 384.488 1.812 20 0 GDADMM CC(C)CC(=O)N[C@@H]1[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)[C@H]2C1(C)C ZINC001574111012 949369698 /nfs/dbraw/zinc/36/96/98/949369698.db2.gz CZKZXPIAYXOBHK-DAXOMENPSA-N -1 1 384.488 1.812 20 0 GDADMM CC(C)n1ccc(CC(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)n1 ZINC001574460422 949376069 /nfs/dbraw/zinc/37/60/69/949376069.db2.gz UOTCOAVGCOAYRE-UHFFFAOYSA-N -1 1 386.485 1.249 20 0 GDADMM C[C@@H](CN(C)C(=O)C12CCC(CC1)C2(C)C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574704294 949381231 /nfs/dbraw/zinc/38/12/31/949381231.db2.gz MCEXLTJMZWDIJO-GLIABKTBSA-N -1 1 384.488 1.554 20 0 GDADMM CC1(C(=O)N2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3CN2c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575528286 949392236 /nfs/dbraw/zinc/39/22/36/949392236.db2.gz QSTOBDZDZMXWPR-CRWXNKLISA-N -1 1 380.456 1.130 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C(C)(C)C(F)F)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575866105 949394152 /nfs/dbraw/zinc/39/41/52/949394152.db2.gz CVMHWXSQINIJJR-UWVGGRQHSA-N -1 1 380.403 1.422 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C(C)(C)C(F)F)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575866105 949394174 /nfs/dbraw/zinc/39/41/74/949394174.db2.gz CVMHWXSQINIJJR-UWVGGRQHSA-N -1 1 380.403 1.422 20 0 GDADMM C[C@@H]1CCCC[C@@H]1C(=O)N(C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576155284 949397577 /nfs/dbraw/zinc/39/75/77/949397577.db2.gz HTNZRTRUCLITRQ-HIFRSBDPSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCCC[C@@H]1C(=O)N(C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576155284 949397603 /nfs/dbraw/zinc/39/76/03/949397603.db2.gz HTNZRTRUCLITRQ-HIFRSBDPSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](NC(=O)C1Cc2ccccc2C1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575263587 949402203 /nfs/dbraw/zinc/40/22/03/949402203.db2.gz IGFYDHFABOGZPV-RYUDHWBXSA-N -1 1 378.440 1.377 20 0 GDADMM C[C@H](NC(=O)C1Cc2ccccc2C1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575263587 949402217 /nfs/dbraw/zinc/40/22/17/949402217.db2.gz IGFYDHFABOGZPV-RYUDHWBXSA-N -1 1 378.440 1.377 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001574464527 949416861 /nfs/dbraw/zinc/41/68/61/949416861.db2.gz KKLVQTOIWHKMMF-AWEZNQCLSA-N -1 1 381.444 1.660 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001574464527 949416878 /nfs/dbraw/zinc/41/68/78/949416878.db2.gz KKLVQTOIWHKMMF-AWEZNQCLSA-N -1 1 381.444 1.660 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1CC1(F)F)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574705491 949426432 /nfs/dbraw/zinc/42/64/32/949426432.db2.gz UBUYHKZPHFFUBQ-RITPCOANSA-N -1 1 377.808 1.891 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1CC1(F)F)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574705491 949426447 /nfs/dbraw/zinc/42/64/47/949426447.db2.gz UBUYHKZPHFFUBQ-RITPCOANSA-N -1 1 377.808 1.891 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574465160 949433677 /nfs/dbraw/zinc/43/36/77/949433677.db2.gz QHNZSXQDAYVCAL-JOCQHMNTSA-N -1 1 381.444 1.660 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574465160 949433695 /nfs/dbraw/zinc/43/36/95/949433695.db2.gz QHNZSXQDAYVCAL-JOCQHMNTSA-N -1 1 381.444 1.660 20 0 GDADMM CC1(C(=O)N2C[C@@H]3CCC[C@@H](Nc4ccnc(-c5nn[n-]n5)n4)[C@H]3C2)CCC1 ZINC001575534905 949437291 /nfs/dbraw/zinc/43/72/91/949437291.db2.gz RXOBOMHENGVKKR-MELADBBJSA-N -1 1 382.472 1.308 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CC(C)(C)O ZINC001576156198 949437494 /nfs/dbraw/zinc/43/74/94/949437494.db2.gz MCVACSKZIGEDMD-XIKOKIGWSA-N -1 1 388.476 1.295 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CC(C)(C)O ZINC001576156198 949437502 /nfs/dbraw/zinc/43/75/02/949437502.db2.gz MCVACSKZIGEDMD-XIKOKIGWSA-N -1 1 388.476 1.295 20 0 GDADMM CC(C)n1cccc1C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574466002 949447272 /nfs/dbraw/zinc/44/72/72/949447272.db2.gz ZASHLLUYUQRLRS-CYBMUJFWSA-N -1 1 381.444 1.178 20 0 GDADMM CC1(C(=O)N2CCC3(CC2)CCN(c2ccnc(-c4nn[n-]n4)n2)CC3)CC1 ZINC001575536078 949463115 /nfs/dbraw/zinc/46/31/15/949463115.db2.gz FFGUJRQJNGLNRC-UHFFFAOYSA-N -1 1 382.472 1.666 20 0 GDADMM CC(C)n1nccc1C(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574468793 949468781 /nfs/dbraw/zinc/46/87/81/949468781.db2.gz QVGIHUUNVCKJJW-LBPRGKRZSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1nccc1C(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574468793 949468797 /nfs/dbraw/zinc/46/87/97/949468797.db2.gz QVGIHUUNVCKJJW-LBPRGKRZSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)CC(=O)N[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C[C@@H]1O ZINC001574117689 949479086 /nfs/dbraw/zinc/47/90/86/949479086.db2.gz ZBJPQZHZXVVMPI-IUCAKERBSA-N -1 1 385.881 1.079 20 0 GDADMM CC(C)CC(=O)N[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C[C@@H]1O ZINC001574117689 949479092 /nfs/dbraw/zinc/47/90/92/949479092.db2.gz ZBJPQZHZXVVMPI-IUCAKERBSA-N -1 1 385.881 1.079 20 0 GDADMM CC(C)CC(=O)NC[C@@H]1c2ccccc2CCN1c1nccnc1-c1nnn[n-]1 ZINC001574117944 949483201 /nfs/dbraw/zinc/48/32/01/949483201.db2.gz BPOHZEVIDAWWTQ-MRXNPFEDSA-N -1 1 392.467 1.923 20 0 GDADMM CC(C)CC(=O)NC[C@@H]1c2ccccc2CCN1c1nccnc1-c1nn[n-]n1 ZINC001574117944 949483209 /nfs/dbraw/zinc/48/32/09/949483209.db2.gz BPOHZEVIDAWWTQ-MRXNPFEDSA-N -1 1 392.467 1.923 20 0 GDADMM C[C@@H](CNC(=O)Cn1cccn1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001574949224 949486557 /nfs/dbraw/zinc/48/65/57/949486557.db2.gz RVBVLYDVUVHUSS-QMMMGPOBSA-N -1 1 381.853 1.038 20 0 GDADMM C[C@@H](CNC(=O)Cn1cccn1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001574949224 949486570 /nfs/dbraw/zinc/48/65/70/949486570.db2.gz RVBVLYDVUVHUSS-QMMMGPOBSA-N -1 1 381.853 1.038 20 0 GDADMM CC(C)(C)C(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573806212 949486588 /nfs/dbraw/zinc/48/65/88/949486588.db2.gz LJFHKYMUVJDCRC-CZUORRHYSA-N -1 1 378.440 1.897 20 0 GDADMM CC(C)(C)C(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573806212 949486603 /nfs/dbraw/zinc/48/66/03/949486603.db2.gz LJFHKYMUVJDCRC-CZUORRHYSA-N -1 1 378.440 1.897 20 0 GDADMM CC(C)CC(=O)NC[C@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CCCO1 ZINC001574118938 949491608 /nfs/dbraw/zinc/49/16/08/949491608.db2.gz GWDJODTTYJBNNB-HNNXBMFYSA-N -1 1 390.463 1.759 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1CCCCO1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574708535 949492773 /nfs/dbraw/zinc/49/27/73/949492773.db2.gz WHIVHUCYCNMXAJ-DTWKUNHWSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1CCCCO1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574708535 949492790 /nfs/dbraw/zinc/49/27/90/949492790.db2.gz WHIVHUCYCNMXAJ-DTWKUNHWSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@@H](NC(=O)CCC1(C)CC1)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575266984 949495632 /nfs/dbraw/zinc/49/56/32/949495632.db2.gz GELAPCKMUZXKEY-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](NC(=O)CCC1(C)CC1)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575266984 949495646 /nfs/dbraw/zinc/49/56/46/949495646.db2.gz GELAPCKMUZXKEY-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CC(=O)NC[C@H]1COCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC001574119774 949499918 /nfs/dbraw/zinc/49/99/18/949499918.db2.gz JCJZXBQLWFIFQW-VIFPVBQESA-N -1 1 385.881 1.344 20 0 GDADMM CC(C)CC(=O)NC[C@H]1COCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC001574119774 949499930 /nfs/dbraw/zinc/49/99/30/949499930.db2.gz JCJZXBQLWFIFQW-VIFPVBQESA-N -1 1 385.881 1.344 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccco1 ZINC001576158794 949502045 /nfs/dbraw/zinc/50/20/45/949502045.db2.gz UNIVVWXWWUJUDZ-XIKOKIGWSA-N -1 1 382.428 1.462 20 0 GDADMM C[C@H]1CCCC[C@@H]1C(=O)N(C)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001576158870 949506152 /nfs/dbraw/zinc/50/61/52/949506152.db2.gz VJGMCONXNYLJBK-ZFWWWQNUSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CCCC[C@@H]1C(=O)N(C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001576158870 949506173 /nfs/dbraw/zinc/50/61/73/949506173.db2.gz VJGMCONXNYLJBK-ZFWWWQNUSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CCCC[C@H]1C(=O)N(C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576159023 949512208 /nfs/dbraw/zinc/51/22/08/949512208.db2.gz VWOXWFHLFXTYFJ-DZGCQCFKSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CCCC[C@H]1C(=O)N(C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576159023 949512228 /nfs/dbraw/zinc/51/22/28/949512228.db2.gz VWOXWFHLFXTYFJ-DZGCQCFKSA-N -1 1 384.488 1.910 20 0 GDADMM CC1(C(=O)N2CCC[C@H]([C@H]3CCN(c4cnc(-c5nnn[n-]5)cn4)C3)C2)CC1 ZINC001575538176 949513310 /nfs/dbraw/zinc/51/33/10/949513310.db2.gz DLJRWMNPHKJMBG-KBPBESRZSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C(=O)N2CCC[C@H]([C@H]3CCN(c4cnc(-c5nn[n-]n5)cn4)C3)C2)CC1 ZINC001575538176 949513330 /nfs/dbraw/zinc/51/33/30/949513330.db2.gz DLJRWMNPHKJMBG-KBPBESRZSA-N -1 1 382.472 1.522 20 0 GDADMM CC(C)CC(=O)NC[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCC1(F)F ZINC001574122438 949525574 /nfs/dbraw/zinc/52/55/74/949525574.db2.gz WJDCCSONFVWTBZ-NSHDSACASA-N -1 1 380.403 1.281 20 0 GDADMM CC(C)CC(=O)NC[C@]1(O)CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001574122619 949529644 /nfs/dbraw/zinc/52/96/44/949529644.db2.gz YWFDCTNLJBCTAV-CQSZACIVSA-N -1 1 385.881 1.080 20 0 GDADMM CC(C)CC(=O)NC[C@]1(O)CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001574122619 949529659 /nfs/dbraw/zinc/52/96/59/949529659.db2.gz YWFDCTNLJBCTAV-CQSZACIVSA-N -1 1 385.881 1.080 20 0 GDADMM C[C@H]1CCCN(C(=O)C2=CCOCC2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576163366 949531094 /nfs/dbraw/zinc/53/10/94/949531094.db2.gz AOXKNVBEWHWHCI-SWLSCSKDSA-N -1 1 384.444 1.042 20 0 GDADMM C[C@H]1CCCN(C(=O)C2=CCOCC2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576163366 949531114 /nfs/dbraw/zinc/53/11/14/949531114.db2.gz AOXKNVBEWHWHCI-SWLSCSKDSA-N -1 1 384.444 1.042 20 0 GDADMM C[C@@H](CN(C)C(=O)C1CCOCC1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574711732 949551336 /nfs/dbraw/zinc/55/13/36/949551336.db2.gz KXRZJSKTWNMKIC-QMMMGPOBSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](CN(C)C(=O)C1CCOCC1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574711732 949551356 /nfs/dbraw/zinc/55/13/56/949551356.db2.gz KXRZJSKTWNMKIC-QMMMGPOBSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@H](CNC(=O)[C@@H](C)Cc1ccccc1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574951406 949559766 /nfs/dbraw/zinc/55/97/66/949559766.db2.gz ZVRLWDZEROJTMG-KBPBESRZSA-N -1 1 380.456 1.700 20 0 GDADMM C[C@H](CNC(=O)[C@@H](C)Cc1ccccc1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574951406 949559783 /nfs/dbraw/zinc/55/97/83/949559783.db2.gz ZVRLWDZEROJTMG-KBPBESRZSA-N -1 1 380.456 1.700 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2C(C)(C)C2(C)C)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575873423 949583215 /nfs/dbraw/zinc/58/32/15/949583215.db2.gz PDDVNFJXFHPBEO-RYUDHWBXSA-N -1 1 384.488 1.812 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2C(C)(C)C2(C)C)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575873423 949583231 /nfs/dbraw/zinc/58/32/31/949583231.db2.gz PDDVNFJXFHPBEO-RYUDHWBXSA-N -1 1 384.488 1.812 20 0 GDADMM C[C@@H](NC(=O)CCC1CCC1)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575270389 949584605 /nfs/dbraw/zinc/58/46/05/949584605.db2.gz CNBHUSYSIGNTJW-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](NC(=O)CCC1CCC1)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575270389 949584621 /nfs/dbraw/zinc/58/46/21/949584621.db2.gz CNBHUSYSIGNTJW-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](NC(=O)CCC1CCC1)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575270386 949587468 /nfs/dbraw/zinc/58/74/68/949587468.db2.gz CNBHUSYSIGNTJW-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](NC(=O)CCC1CCC1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575270386 949587482 /nfs/dbraw/zinc/58/74/82/949587482.db2.gz CNBHUSYSIGNTJW-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](NC(=O)CCC1CCC1)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575270747 949600692 /nfs/dbraw/zinc/60/06/92/949600692.db2.gz FXRPKRWANJVAMM-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](NC(=O)CCC1CCC1)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575270747 949600708 /nfs/dbraw/zinc/60/07/08/949600708.db2.gz FXRPKRWANJVAMM-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C(=O)N2CCCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)CCOCC1 ZINC001575546226 949607778 /nfs/dbraw/zinc/60/77/78/949607778.db2.gz PGMXUZGIRAOXFN-CYBMUJFWSA-N -1 1 386.460 1.266 20 0 GDADMM CC1(C(=O)N2CCCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)CCOCC1 ZINC001575546226 949607785 /nfs/dbraw/zinc/60/77/85/949607785.db2.gz PGMXUZGIRAOXFN-CYBMUJFWSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@@H](CNC(=O)[C@H](C)Cc1ccccc1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574957652 949625311 /nfs/dbraw/zinc/62/53/11/949625311.db2.gz DWHGLZGUERTISH-ZIAGYGMSSA-N -1 1 380.456 1.122 20 0 GDADMM CC(C)CC(C)(C)C(=O)N1C[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001574128686 949631846 /nfs/dbraw/zinc/63/18/46/949631846.db2.gz OQVHQIMKXWHVJH-ZIAGYGMSSA-N -1 1 386.504 1.657 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574957911 949641527 /nfs/dbraw/zinc/64/15/27/949641527.db2.gz CJPGIDCGPQBWOT-AEGPPILISA-N -1 1 378.440 1.625 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574957911 949641536 /nfs/dbraw/zinc/64/15/36/949641536.db2.gz CJPGIDCGPQBWOT-AEGPPILISA-N -1 1 378.440 1.625 20 0 GDADMM CC(C)CC(C)(C)C(=O)N1CCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001574129731 949645359 /nfs/dbraw/zinc/64/53/59/949645359.db2.gz WIZYVVZOBZUKRW-ZDUSSCGKSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)CC(C)(C)C(=O)N1CCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001574129731 949645368 /nfs/dbraw/zinc/64/53/68/949645368.db2.gz WIZYVVZOBZUKRW-ZDUSSCGKSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@@H]1CCCC1(F)F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574715205 949645487 /nfs/dbraw/zinc/64/54/87/949645487.db2.gz HVKTWLQWOYKVDH-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@@H]1CCCC1(F)F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574715205 949645494 /nfs/dbraw/zinc/64/54/94/949645494.db2.gz HVKTWLQWOYKVDH-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)CC(C)(C)C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC001574131213 949651532 /nfs/dbraw/zinc/65/15/32/949651532.db2.gz BGYPYEGXXAPAPL-CYBMUJFWSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)CC(C)(C)C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC001574131213 949651548 /nfs/dbraw/zinc/65/15/48/949651548.db2.gz BGYPYEGXXAPAPL-CYBMUJFWSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@H]1CCCC[C@@H]1CC(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001576168870 949653626 /nfs/dbraw/zinc/65/36/26/949653626.db2.gz HBPKFYPWTYOPPE-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCCC[C@@H]1CC(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001576168870 949653635 /nfs/dbraw/zinc/65/36/35/949653635.db2.gz HBPKFYPWTYOPPE-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CN(C)C(=O)CC[C@H]1CC(C)(C)CO1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574715743 949665574 /nfs/dbraw/zinc/66/55/74/949665574.db2.gz GBJJHOKJJOIZGY-STQMWFEESA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CN(C)C(=O)CC[C@H]1CC(C)(C)CO1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574715743 949665595 /nfs/dbraw/zinc/66/55/95/949665595.db2.gz GBJJHOKJJOIZGY-STQMWFEESA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CCC(C)(F)F)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575877472 949667069 /nfs/dbraw/zinc/66/70/69/949667069.db2.gz ZVJGVQLQIKDSPX-QWRGUYRKSA-N -1 1 380.403 1.566 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CCC(C)(F)F)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575877472 949667081 /nfs/dbraw/zinc/66/70/81/949667081.db2.gz ZVJGVQLQIKDSPX-QWRGUYRKSA-N -1 1 380.403 1.566 20 0 GDADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1CCC(F)CC1 ZINC001573815944 949667226 /nfs/dbraw/zinc/66/72/26/949667226.db2.gz MFQSFUHZEIJPOQ-BPCQOVAHSA-N -1 1 390.467 1.550 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H]1CCCOCC1 ZINC001573816174 949669844 /nfs/dbraw/zinc/66/98/44/949669844.db2.gz PLCREYBFEIQNTH-OCCSQVGLSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H]1CCCOCC1 ZINC001573816174 949669857 /nfs/dbraw/zinc/66/98/57/949669857.db2.gz PLCREYBFEIQNTH-OCCSQVGLSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@H](CC(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nn1)c1ccncc1 ZINC001574477627 949670738 /nfs/dbraw/zinc/67/07/38/949670738.db2.gz STZCPTFCSLLSBS-CYBMUJFWSA-N -1 1 381.444 1.140 20 0 GDADMM C[C@H](CC(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nn1)c1ccncc1 ZINC001574477627 949670753 /nfs/dbraw/zinc/67/07/53/949670753.db2.gz STZCPTFCSLLSBS-CYBMUJFWSA-N -1 1 381.444 1.140 20 0 GDADMM C[C@@H](NC(=O)CCc1ccccc1F)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575274581 949689076 /nfs/dbraw/zinc/68/90/76/949689076.db2.gz APLADRMITGNRCL-VXGBXAGGSA-N -1 1 384.419 1.734 20 0 GDADMM C[C@@H](NC(=O)CCc1ccccc1F)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575274581 949689092 /nfs/dbraw/zinc/68/90/92/949689092.db2.gz APLADRMITGNRCL-VXGBXAGGSA-N -1 1 384.419 1.734 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cccc(=O)[nH]1 ZINC001573817188 949698164 /nfs/dbraw/zinc/69/81/64/949698164.db2.gz YOVWLUOGCPSADE-LBPRGKRZSA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cccc(=O)[nH]1 ZINC001573817188 949698177 /nfs/dbraw/zinc/69/81/77/949698177.db2.gz YOVWLUOGCPSADE-LBPRGKRZSA-N -1 1 383.416 1.014 20 0 GDADMM C[C@H](CC(=O)N(C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001574478403 949708147 /nfs/dbraw/zinc/70/81/47/949708147.db2.gz ZCEIBSKZQLGCGH-NXEZZACHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@H](CC(=O)N(C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001574478403 949708167 /nfs/dbraw/zinc/70/81/67/949708167.db2.gz ZCEIBSKZQLGCGH-NXEZZACHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H](CN(C)c2cncc(-c3nnn[n-]3)n2)C1)C1CC1 ZINC001574478773 949717399 /nfs/dbraw/zinc/71/73/99/949717399.db2.gz ALCKZVLMUJRNMN-UONOGXRCSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H](CN(C)c2cncc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001574478773 949717417 /nfs/dbraw/zinc/71/74/17/949717417.db2.gz ALCKZVLMUJRNMN-UONOGXRCSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H]1[C@H](NC(=O)CCc2ccoc2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575881452 949718336 /nfs/dbraw/zinc/71/83/36/949718336.db2.gz XTNUAQDHZYKWCB-GXTWGEPZSA-N -1 1 382.428 1.356 20 0 GDADMM C[C@H]1[C@H](NC(=O)CCc2ccoc2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575881452 949718348 /nfs/dbraw/zinc/71/83/48/949718348.db2.gz XTNUAQDHZYKWCB-GXTWGEPZSA-N -1 1 382.428 1.356 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cc[nH]c(=O)c1 ZINC001573818159 949724303 /nfs/dbraw/zinc/72/43/03/949724303.db2.gz HGQZHLBOYPISEE-GFCCVEGCSA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cc[nH]c(=O)c1 ZINC001573818159 949724322 /nfs/dbraw/zinc/72/43/22/949724322.db2.gz HGQZHLBOYPISEE-GFCCVEGCSA-N -1 1 383.416 1.014 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574479014 949727005 /nfs/dbraw/zinc/72/70/05/949727005.db2.gz CBXUGXYHIVNVFZ-ZJUUUORDSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@H](CC(=O)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1)[C@H]1CCCO1 ZINC001574479070 949728779 /nfs/dbraw/zinc/72/87/79/949728779.db2.gz CJYVJLZLJQISEO-IUODEOHRSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H](CC(=O)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1)[C@H]1CCCO1 ZINC001574479070 949728788 /nfs/dbraw/zinc/72/87/88/949728788.db2.gz CJYVJLZLJQISEO-IUODEOHRSA-N -1 1 386.460 1.265 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N1CC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001574135736 949731976 /nfs/dbraw/zinc/73/19/76/949731976.db2.gz MAWZIZAIGHHBHW-SOUVJXGZSA-N -1 1 384.488 1.766 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N1CC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001574135736 949731992 /nfs/dbraw/zinc/73/19/92/949731992.db2.gz MAWZIZAIGHHBHW-SOUVJXGZSA-N -1 1 384.488 1.766 20 0 GDADMM C[C@@H](CN(C)C(=O)CC1(C(F)(F)F)CC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574717418 949738627 /nfs/dbraw/zinc/73/86/27/949738627.db2.gz VRTIPXCMBNCFMQ-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](CN(C)C(=O)CC1(C(F)(F)F)CC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574717418 949738638 /nfs/dbraw/zinc/73/86/38/949738638.db2.gz VRTIPXCMBNCFMQ-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@@H]1CCCO1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574718152 949762982 /nfs/dbraw/zinc/76/29/82/949762982.db2.gz YUELAVSEHMUTRV-BDAKNGLRSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@@H]1CCCO1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574718152 949763009 /nfs/dbraw/zinc/76/30/09/949763009.db2.gz YUELAVSEHMUTRV-BDAKNGLRSA-N -1 1 385.881 1.805 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C1(F)CCCC1 ZINC001573820270 949763476 /nfs/dbraw/zinc/76/34/76/949763476.db2.gz WXAKJIIRMIXLLA-LBPRGKRZSA-N -1 1 376.440 1.882 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C1(F)CCCC1 ZINC001573820270 949763493 /nfs/dbraw/zinc/76/34/93/949763493.db2.gz WXAKJIIRMIXLLA-LBPRGKRZSA-N -1 1 376.440 1.882 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001574481109 949769258 /nfs/dbraw/zinc/76/92/58/949769258.db2.gz MPFTVTFRYVSITJ-ZFWWWQNUSA-N -1 1 378.440 1.863 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574481109 949769274 /nfs/dbraw/zinc/76/92/74/949769274.db2.gz MPFTVTFRYVSITJ-ZFWWWQNUSA-N -1 1 378.440 1.863 20 0 GDADMM O=C([O-])c1cnc(C(=O)N2c3ccccc3C[C@@H]2CNC(=O)C(F)(F)F)cn1 ZINC001595267708 949770848 /nfs/dbraw/zinc/77/08/48/949770848.db2.gz JYFVRMMSLXTGAA-SNVBAGLBSA-N -1 1 394.309 1.425 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@H]1CCCCO1 ZINC001573821923 949781883 /nfs/dbraw/zinc/78/18/83/949781883.db2.gz FNMNQJIAPZKVCK-CHWSQXEVSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@H]1CCCCO1 ZINC001573821923 949781897 /nfs/dbraw/zinc/78/18/97/949781897.db2.gz FNMNQJIAPZKVCK-CHWSQXEVSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H]1CCCN(C(=O)COCC2CC2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576172043 949790777 /nfs/dbraw/zinc/79/07/77/949790777.db2.gz UIUGJTKZAWPBTA-WFASDCNBSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H]1CCCN(C(=O)COCC2CC2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576172043 949790789 /nfs/dbraw/zinc/79/07/89/949790789.db2.gz UIUGJTKZAWPBTA-WFASDCNBSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](CNC(=O)c1[nH]cnc1C(C)(C)C)CNc1nccnc1-c1nnn[n-]1 ZINC001574965566 949802472 /nfs/dbraw/zinc/80/24/72/949802472.db2.gz GYDTZTAGBBWFEB-SNVBAGLBSA-N -1 1 384.448 1.155 20 0 GDADMM C[C@@H](CNC(=O)c1[nH]cnc1C(C)(C)C)CNc1nccnc1-c1nn[n-]n1 ZINC001574965566 949802495 /nfs/dbraw/zinc/80/24/95/949802495.db2.gz GYDTZTAGBBWFEB-SNVBAGLBSA-N -1 1 384.448 1.155 20 0 GDADMM C[C@@H](CNC(=O)c1c(Cl)n[nH]c1C1CC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574965821 949819204 /nfs/dbraw/zinc/81/92/04/949819204.db2.gz MRRVSQGYTIZVJI-ZETCQYMHSA-N -1 1 388.823 1.141 20 0 GDADMM C[C@@H](CNC(=O)c1c(Cl)n[nH]c1C1CC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574965821 949819219 /nfs/dbraw/zinc/81/92/19/949819219.db2.gz MRRVSQGYTIZVJI-ZETCQYMHSA-N -1 1 388.823 1.141 20 0 GDADMM CC1(C(=O)N[C@H]2CCC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CC(F)(F)C1 ZINC001575562121 949819485 /nfs/dbraw/zinc/81/94/85/949819485.db2.gz DTDHDYWVCCDRIP-MNOVXSKESA-N -1 1 392.414 1.931 20 0 GDADMM CC1(C(=O)N[C@H]2CCC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CC(F)(F)C1 ZINC001575562121 949819503 /nfs/dbraw/zinc/81/95/03/949819503.db2.gz DTDHDYWVCCDRIP-MNOVXSKESA-N -1 1 392.414 1.931 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CC[C@@H]1CCCO1 ZINC001573823221 949821139 /nfs/dbraw/zinc/82/11/39/949821139.db2.gz RTIHCQLGFLQFCN-QWHCGFSZSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CC[C@@H]1CCCO1 ZINC001573823221 949821160 /nfs/dbraw/zinc/82/11/60/949821160.db2.gz RTIHCQLGFLQFCN-QWHCGFSZSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@@H](CNC(=O)c1[nH]cnc1C(C)(C)C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574965981 949828173 /nfs/dbraw/zinc/82/81/73/949828173.db2.gz QVWRVWHBKBYNDK-SNVBAGLBSA-N -1 1 384.448 1.155 20 0 GDADMM C[C@@H](CNC(=O)c1[nH]cnc1C(C)(C)C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574965981 949828193 /nfs/dbraw/zinc/82/81/93/949828193.db2.gz QVWRVWHBKBYNDK-SNVBAGLBSA-N -1 1 384.448 1.155 20 0 GDADMM CC1(C(=O)N[C@H]2CCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)CCOCC1 ZINC001575562958 949834053 /nfs/dbraw/zinc/83/40/53/949834053.db2.gz IVLINMYWIBWHEL-OLZOCXBDSA-N -1 1 386.460 1.170 20 0 GDADMM CC1(C(=O)N[C@H]2CCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)CCOCC1 ZINC001575562958 949834079 /nfs/dbraw/zinc/83/40/79/949834079.db2.gz IVLINMYWIBWHEL-OLZOCXBDSA-N -1 1 386.460 1.170 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001574140477 949838177 /nfs/dbraw/zinc/83/81/77/949838177.db2.gz NXACQTYKZDEKTL-RBSFLKMASA-N -1 1 386.504 1.918 20 0 GDADMM CC(C)C[C@H](C)CC(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001574140483 949838671 /nfs/dbraw/zinc/83/86/71/949838671.db2.gz NXACQTYKZDEKTL-RRFJBIMHSA-N -1 1 386.504 1.918 20 0 GDADMM C[C@@H](CN(C)C(=O)CCc1ccccc1F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574722548 949840029 /nfs/dbraw/zinc/84/00/29/949840029.db2.gz UTAHOQKBLQDTHL-LBPRGKRZSA-N -1 1 384.419 1.687 20 0 GDADMM C[C@@H](CN(C)C(=O)CCc1ccccc1F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574722548 949840054 /nfs/dbraw/zinc/84/00/54/949840054.db2.gz UTAHOQKBLQDTHL-LBPRGKRZSA-N -1 1 384.419 1.687 20 0 GDADMM CC1(C(=O)N[C@H]2CC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CCOCC1 ZINC001575563898 949847849 /nfs/dbraw/zinc/84/78/49/949847849.db2.gz MYPMXVLDDUDNMX-STQMWFEESA-N -1 1 386.460 1.170 20 0 GDADMM CC1(C(=O)N[C@H]2CC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CCOCC1 ZINC001575563898 949847874 /nfs/dbraw/zinc/84/78/74/949847874.db2.gz MYPMXVLDDUDNMX-STQMWFEESA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](CNC(=O)c1c(F)cc(F)cc1F)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574966419 949851160 /nfs/dbraw/zinc/85/11/60/949851160.db2.gz YPRDDEMRAAOYFZ-MRVPVSSYSA-N -1 1 392.345 1.552 20 0 GDADMM C[C@@H](CNC(=O)c1c(F)cc(F)cc1F)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574966419 949851184 /nfs/dbraw/zinc/85/11/84/949851184.db2.gz YPRDDEMRAAOYFZ-MRVPVSSYSA-N -1 1 392.345 1.552 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1)c1ccco1 ZINC001574483983 949852514 /nfs/dbraw/zinc/85/25/14/949852514.db2.gz BJQLVGGDIFVQFH-QWHCGFSZSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1)c1ccco1 ZINC001574483983 949852531 /nfs/dbraw/zinc/85/25/31/949852531.db2.gz BJQLVGGDIFVQFH-QWHCGFSZSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001574484032 949854834 /nfs/dbraw/zinc/85/48/34/949854834.db2.gz CRSSORYFKNJZTF-ZJUUUORDSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001574484032 949854859 /nfs/dbraw/zinc/85/48/59/949854859.db2.gz CRSSORYFKNJZTF-ZJUUUORDSA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)(C)C12CC(C(=O)N[C@H]3C[C@@H](Nc4ccnc(-c5nn[n-]n5)n4)C3)(C1)C2 ZINC001573825185 949863659 /nfs/dbraw/zinc/86/36/59/949863659.db2.gz LYFQDTCYINDLBG-ORMMXULVSA-N -1 1 382.472 1.354 20 0 GDADMM C[C@H](CC(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)c1ccco1 ZINC001574484213 949870907 /nfs/dbraw/zinc/87/09/07/949870907.db2.gz FOYDMKKNTJGWNV-CYBMUJFWSA-N -1 1 382.428 1.482 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1)c1ccco1 ZINC001574484686 949893998 /nfs/dbraw/zinc/89/39/98/949893998.db2.gz LZJGXYRXCVTHJJ-STQMWFEESA-N -1 1 382.428 1.846 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1)c1ccco1 ZINC001574484686 949894018 /nfs/dbraw/zinc/89/40/18/949894018.db2.gz LZJGXYRXCVTHJJ-STQMWFEESA-N -1 1 382.428 1.846 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccncc2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576178721 949899613 /nfs/dbraw/zinc/89/96/13/949899613.db2.gz CSCNJPFCNNAEGI-GXTWGEPZSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccncc2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576178721 949899634 /nfs/dbraw/zinc/89/96/34/949899634.db2.gz CSCNJPFCNNAEGI-GXTWGEPZSA-N -1 1 379.428 1.405 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574143990 949902786 /nfs/dbraw/zinc/90/27/86/949902786.db2.gz JVIGAYJMILSAEJ-ZIAGYGMSSA-N -1 1 388.476 1.193 20 0 GDADMM CC(C)(C)/C=C\C(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573827562 949917976 /nfs/dbraw/zinc/91/79/76/949917976.db2.gz MLWVDIPKZCUUOV-YPLUBFQTSA-N -1 1 386.460 1.024 20 0 GDADMM CC(C)(C)/C=C\C(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573827562 949917998 /nfs/dbraw/zinc/91/79/98/949917998.db2.gz MLWVDIPKZCUUOV-YPLUBFQTSA-N -1 1 386.460 1.024 20 0 GDADMM CC(C)(C)/C=C/C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001573827460 949919439 /nfs/dbraw/zinc/91/94/39/949919439.db2.gz LCJZAMLKUUJUFH-PLAGUNMDSA-N -1 1 382.472 1.733 20 0 GDADMM CC(C)(C)/C=C/C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001573827460 949919457 /nfs/dbraw/zinc/91/94/57/949919457.db2.gz LCJZAMLKUUJUFH-PLAGUNMDSA-N -1 1 382.472 1.733 20 0 GDADMM C[C@@H](CC(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)n1cccc1 ZINC001574485699 949932723 /nfs/dbraw/zinc/93/27/23/949932723.db2.gz ZCACDBUMYCIECX-AWEZNQCLSA-N -1 1 381.444 1.148 20 0 GDADMM C[C@H](CC(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)C(F)(F)F ZINC001574487663 949933240 /nfs/dbraw/zinc/93/32/40/949933240.db2.gz ASXCBHOVDBGOGH-KCJUWKMLSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](CC(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)C(F)(F)F ZINC001574487663 949933260 /nfs/dbraw/zinc/93/32/60/949933260.db2.gz ASXCBHOVDBGOGH-KCJUWKMLSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccccn2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576180075 949933500 /nfs/dbraw/zinc/93/35/00/949933500.db2.gz HDZJOZGNPFIBRL-SWLSCSKDSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccccn2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576180075 949933516 /nfs/dbraw/zinc/93/35/16/949933516.db2.gz HDZJOZGNPFIBRL-SWLSCSKDSA-N -1 1 379.428 1.405 20 0 GDADMM CC1(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2(C)C)CCCC1 ZINC001575570114 949934829 /nfs/dbraw/zinc/93/48/29/949934829.db2.gz PNNTUVVGDCLNLB-ZDUSSCGKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCN(C(=O)COC(C)(C)C)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576180128 949937549 /nfs/dbraw/zinc/93/75/49/949937549.db2.gz CHLAZVPUEXNKNM-CHWSQXEVSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@@H]1CCN(C(=O)COC(C)(C)C)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576180128 949937567 /nfs/dbraw/zinc/93/75/67/949937567.db2.gz CHLAZVPUEXNKNM-CHWSQXEVSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)[C@H](C)C1)n1cccc1 ZINC001574490211 949982981 /nfs/dbraw/zinc/98/29/81/949982981.db2.gz OPXHCUHZKSXCTF-RBSFLKMASA-N -1 1 395.471 1.616 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)[C@H](C)C1)n1cccc1 ZINC001574490211 949982991 /nfs/dbraw/zinc/98/29/91/949982991.db2.gz OPXHCUHZKSXCTF-RBSFLKMASA-N -1 1 395.471 1.616 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574490320 949985260 /nfs/dbraw/zinc/98/52/60/949985260.db2.gz PUMMNSNIEVKZNC-SQWLQELKSA-N -1 1 392.467 1.531 20 0 GDADMM CC(C)(C)CC(=O)N1CCC2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001573831353 949994223 /nfs/dbraw/zinc/99/42/23/949994223.db2.gz VUCJZWUNJAGQKG-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)(C)CC(=O)N1CCC2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001573831353 949994245 /nfs/dbraw/zinc/99/42/45/949994245.db2.gz VUCJZWUNJAGQKG-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@H]1CCN(C(=O)CC(F)(F)F)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576181471 950004816 /nfs/dbraw/zinc/00/48/16/950004816.db2.gz IHUCYCJYWSWJEK-VHSXEESVSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@H]1CCN(C(=O)CC(F)(F)F)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576181471 950004838 /nfs/dbraw/zinc/00/48/38/950004838.db2.gz IHUCYCJYWSWJEK-VHSXEESVSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@@H]1CCN(C(=O)Cc2ccoc2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576181628 950010188 /nfs/dbraw/zinc/01/01/88/950010188.db2.gz IOFIZRCNLLUQIG-TZMCWYRMSA-N -1 1 382.428 1.389 20 0 GDADMM C[C@@H]1CCN(C(=O)Cc2ccoc2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576181628 950010209 /nfs/dbraw/zinc/01/02/09/950010209.db2.gz IOFIZRCNLLUQIG-TZMCWYRMSA-N -1 1 382.428 1.389 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ccc2c(c1)CCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574730406 950033498 /nfs/dbraw/zinc/03/34/98/950033498.db2.gz RXLMMEHSMSCMTD-ZDUSSCGKSA-N -1 1 392.467 1.647 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ccc2c(c1)CCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574730406 950033516 /nfs/dbraw/zinc/03/35/16/950033516.db2.gz RXLMMEHSMSCMTD-ZDUSSCGKSA-N -1 1 392.467 1.647 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2ccccc2F)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575891908 950037756 /nfs/dbraw/zinc/03/77/56/950037756.db2.gz PGEPGOMZVLLQDV-SMDDNHRTSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2ccccc2F)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575891908 950037780 /nfs/dbraw/zinc/03/77/80/950037780.db2.gz PGEPGOMZVLLQDV-SMDDNHRTSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ccc(F)c(F)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001574731013 950041516 /nfs/dbraw/zinc/04/15/16/950041516.db2.gz VLCCDVMOZXQSNA-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ccc(F)c(F)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001574731013 950041537 /nfs/dbraw/zinc/04/15/37/950041537.db2.gz VLCCDVMOZXQSNA-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2cccc(F)c2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575892291 950064832 /nfs/dbraw/zinc/06/48/32/950064832.db2.gz VJZHVSCJMKFRLN-SMDDNHRTSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2cccc(F)c2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575892291 950064853 /nfs/dbraw/zinc/06/48/53/950064853.db2.gz VJZHVSCJMKFRLN-SMDDNHRTSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cncs2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576183067 950076668 /nfs/dbraw/zinc/07/66/68/950076668.db2.gz QRDWXUZNZMQLGE-JQWIXIFHSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cncs2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576183067 950076687 /nfs/dbraw/zinc/07/66/87/950076687.db2.gz QRDWXUZNZMQLGE-JQWIXIFHSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H](CC(=O)N[C@@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccco1 ZINC001574492387 950082055 /nfs/dbraw/zinc/08/20/55/950082055.db2.gz MSYJSINTXGNGQZ-SGTLLEGYSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](CC(=O)N[C@@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574492387 950082075 /nfs/dbraw/zinc/08/20/75/950082075.db2.gz MSYJSINTXGNGQZ-SGTLLEGYSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccn(C)c2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576183437 950091892 /nfs/dbraw/zinc/09/18/92/950091892.db2.gz RWDQFZRIYZWLRI-SWLSCSKDSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccn(C)c2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576183437 950091913 /nfs/dbraw/zinc/09/19/13/950091913.db2.gz RWDQFZRIYZWLRI-SWLSCSKDSA-N -1 1 381.444 1.348 20 0 GDADMM CCCc1cc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])no1 ZINC001589689189 950105870 /nfs/dbraw/zinc/10/58/70/950105870.db2.gz SQDBCURJUWPLKD-GXSJLCMTSA-N -1 1 377.319 1.363 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cc(F)c[nH]2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576183988 950108861 /nfs/dbraw/zinc/10/88/61/950108861.db2.gz UUYHAEOGIUTPNB-IINYFYTJSA-N -1 1 385.407 1.477 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cc(F)c[nH]2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576183988 950108877 /nfs/dbraw/zinc/10/88/77/950108877.db2.gz UUYHAEOGIUTPNB-IINYFYTJSA-N -1 1 385.407 1.477 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccncc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574733520 950112882 /nfs/dbraw/zinc/11/28/82/950112882.db2.gz DAORWODFJXHWIB-FPMFFAJLSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccncc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574733520 950112898 /nfs/dbraw/zinc/11/28/98/950112898.db2.gz DAORWODFJXHWIB-FPMFFAJLSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@@]1(C(=O)NCC2(Nc3nccnc3-c3nnn[n-]3)CCCC2)CCCOC1 ZINC001575582599 950120468 /nfs/dbraw/zinc/12/04/68/950120468.db2.gz LDHSIGAMQVTTHJ-QGZVFWFLSA-N -1 1 386.460 1.314 20 0 GDADMM C[C@@]1(C(=O)NCC2(Nc3nccnc3-c3nn[n-]n3)CCCC2)CCCOC1 ZINC001575582599 950120483 /nfs/dbraw/zinc/12/04/83/950120483.db2.gz LDHSIGAMQVTTHJ-QGZVFWFLSA-N -1 1 386.460 1.314 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574734133 950126859 /nfs/dbraw/zinc/12/68/59/950126859.db2.gz JRFVCJBZLUSZPN-AEGPPILISA-N -1 1 378.440 1.719 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574734133 950126869 /nfs/dbraw/zinc/12/68/69/950126869.db2.gz JRFVCJBZLUSZPN-AEGPPILISA-N -1 1 378.440 1.719 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1)n1cccc1 ZINC001574493347 950126797 /nfs/dbraw/zinc/12/67/97/950126797.db2.gz FSQVUZRSYYMYRU-SWLSCSKDSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1)n1cccc1 ZINC001574493347 950126808 /nfs/dbraw/zinc/12/68/08/950126808.db2.gz FSQVUZRSYYMYRU-SWLSCSKDSA-N -1 1 381.444 1.416 20 0 GDADMM CC1(C(=O)NCC2CC(Nc3nccnc3-c3nnn[n-]3)C2)CC(F)(F)C1 ZINC001575583155 950142407 /nfs/dbraw/zinc/14/24/07/950142407.db2.gz KDMQVPHFVOZARL-UHFFFAOYSA-N -1 1 378.387 1.399 20 0 GDADMM CC1(C(=O)NCC2CC(Nc3nccnc3-c3nn[n-]n3)C2)CC(F)(F)C1 ZINC001575583155 950142420 /nfs/dbraw/zinc/14/24/20/950142420.db2.gz KDMQVPHFVOZARL-UHFFFAOYSA-N -1 1 378.387 1.399 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cccn2C)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576184749 950142625 /nfs/dbraw/zinc/14/26/25/950142625.db2.gz XLKNLYFMFPKCTG-OCCSQVGLSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cccn2C)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576184749 950142629 /nfs/dbraw/zinc/14/26/29/950142629.db2.gz XLKNLYFMFPKCTG-OCCSQVGLSA-N -1 1 381.444 1.348 20 0 GDADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C(C)(C)C1CCC1 ZINC001574154148 950166095 /nfs/dbraw/zinc/16/60/95/950166095.db2.gz CEOCBTZMHVVLSC-AWEZNQCLSA-N -1 1 386.504 1.848 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccsn2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576190835 950171424 /nfs/dbraw/zinc/17/14/24/950171424.db2.gz CCOLCVMMXXHZEI-WDEREUQCSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccsn2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576190835 950171434 /nfs/dbraw/zinc/17/14/34/950171434.db2.gz CCOLCVMMXXHZEI-WDEREUQCSA-N -1 1 385.457 1.324 20 0 GDADMM CC(C)[C@@H](CNC(=O)C[C@H](C)c1ccco1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574494619 950173973 /nfs/dbraw/zinc/17/39/73/950173973.db2.gz LYVZTOUPXCGVIX-QWHCGFSZSA-N -1 1 384.444 1.996 20 0 GDADMM CC(C)[C@@H](CNC(=O)C[C@H](C)c1ccco1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574494619 950173985 /nfs/dbraw/zinc/17/39/85/950173985.db2.gz LYVZTOUPXCGVIX-QWHCGFSZSA-N -1 1 384.444 1.996 20 0 GDADMM C[C@]1(C(=O)NC[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)CC=CCC1 ZINC001575585456 950193140 /nfs/dbraw/zinc/19/31/40/950193140.db2.gz ZNHUGTGEZXXZAQ-KUHUBIRLSA-N -1 1 382.472 1.736 20 0 GDADMM C[C@]1(C(=O)NC[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)CC=CCC1 ZINC001575585456 950193152 /nfs/dbraw/zinc/19/31/52/950193152.db2.gz ZNHUGTGEZXXZAQ-KUHUBIRLSA-N -1 1 382.472 1.736 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H](C)C(C)(F)F ZINC001574155691 950207351 /nfs/dbraw/zinc/20/73/51/950207351.db2.gz QFGHQELBDYGYEF-WDEREUQCSA-N -1 1 382.419 1.891 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H](C)C(C)(F)F ZINC001574155691 950207362 /nfs/dbraw/zinc/20/73/62/950207362.db2.gz QFGHQELBDYGYEF-WDEREUQCSA-N -1 1 382.419 1.891 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CCC(F)(F)F ZINC001574155814 950212272 /nfs/dbraw/zinc/21/22/72/950212272.db2.gz RULCBBDRAKOKHW-JTQLQIEISA-N -1 1 386.382 1.942 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CCC(F)(F)F ZINC001574155814 950212286 /nfs/dbraw/zinc/21/22/86/950212286.db2.gz RULCBBDRAKOKHW-JTQLQIEISA-N -1 1 386.382 1.942 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](C)N(C)c1nccnc1-c1nnn[n-]1)c1ccncc1 ZINC001574496087 950212611 /nfs/dbraw/zinc/21/26/11/950212611.db2.gz VHSHMULDZPNONL-STQMWFEESA-N -1 1 381.444 1.186 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](C)N(C)c1nccnc1-c1nn[n-]n1)c1ccncc1 ZINC001574496087 950212631 /nfs/dbraw/zinc/21/26/31/950212631.db2.gz VHSHMULDZPNONL-STQMWFEESA-N -1 1 381.444 1.186 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](CO)Nc1cnc(-c2nnn[n-]2)cn1)C1CCCCC1 ZINC001574496092 950213550 /nfs/dbraw/zinc/21/35/50/950213550.db2.gz VMLYASMKWJIYCQ-GXTWGEPZSA-N -1 1 388.476 1.152 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](CO)Nc1cnc(-c2nn[n-]n2)cn1)C1CCCCC1 ZINC001574496092 950213562 /nfs/dbraw/zinc/21/35/62/950213562.db2.gz VMLYASMKWJIYCQ-GXTWGEPZSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CC12CCCC2 ZINC001574156009 950215464 /nfs/dbraw/zinc/21/54/64/950215464.db2.gz UHZNQDLCVNDHHC-KGLIPLIRSA-N -1 1 384.488 1.602 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1)C(F)(F)F ZINC001574496450 950217147 /nfs/dbraw/zinc/21/71/47/950217147.db2.gz WCQQRVKWUCEAAF-WCBMZHEXSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1)C(F)(F)F ZINC001574496450 950217170 /nfs/dbraw/zinc/21/71/70/950217170.db2.gz WCQQRVKWUCEAAF-WCBMZHEXSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccns2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576192295 950238526 /nfs/dbraw/zinc/23/85/26/950238526.db2.gz LUDYECSTABHRHE-GHMZBOCLSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccns2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576192295 950238545 /nfs/dbraw/zinc/23/85/45/950238545.db2.gz LUDYECSTABHRHE-GHMZBOCLSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCC1)[C@H]1CCCO1 ZINC001574497862 950245011 /nfs/dbraw/zinc/24/50/11/950245011.db2.gz FHIOTTLZJPRLEO-TZMCWYRMSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCC1)[C@H]1CCCO1 ZINC001574497862 950245031 /nfs/dbraw/zinc/24/50/31/950245031.db2.gz FHIOTTLZJPRLEO-TZMCWYRMSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](CC(=O)NC[C@]1(C)CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CC1 ZINC001574498116 950258633 /nfs/dbraw/zinc/25/86/33/950258633.db2.gz KCXVLYLGZIMLAX-DJJJIMSYSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](CC(=O)NC[C@]1(C)CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CC1 ZINC001574498116 950258653 /nfs/dbraw/zinc/25/86/53/950258653.db2.gz KCXVLYLGZIMLAX-DJJJIMSYSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573847050 950260067 /nfs/dbraw/zinc/26/00/67/950260067.db2.gz YQCKXGSJMMZBPF-MELADBBJSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573847050 950260085 /nfs/dbraw/zinc/26/00/85/950260085.db2.gz YQCKXGSJMMZBPF-MELADBBJSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2ncccc2[O-])CCCN1c1ccc(-c2nn[nH]n2)nc1 ZINC001575902502 950262188 /nfs/dbraw/zinc/26/21/88/950262188.db2.gz VVJWARCDEYKWBM-DGCLKSJQSA-N -1 1 380.412 1.150 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCC1)[C@@H]1CCCO1 ZINC001574498184 950263139 /nfs/dbraw/zinc/26/31/39/950263139.db2.gz KWJHTDYXGLJYPG-STQMWFEESA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCC1)[C@@H]1CCCO1 ZINC001574498184 950263156 /nfs/dbraw/zinc/26/31/56/950263156.db2.gz KWJHTDYXGLJYPG-STQMWFEESA-N -1 1 386.460 1.313 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H](C)n1cccc1 ZINC001574158766 950285198 /nfs/dbraw/zinc/28/51/98/950285198.db2.gz SCMSVUAWHSWAIM-UONOGXRCSA-N -1 1 383.460 1.662 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H](C)n1cccc1 ZINC001574158766 950285216 /nfs/dbraw/zinc/28/52/16/950285216.db2.gz SCMSVUAWHSWAIM-UONOGXRCSA-N -1 1 383.460 1.662 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@@]1(C)C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001573852342 950301539 /nfs/dbraw/zinc/30/15/39/950301539.db2.gz FPRWJHODEVQABJ-SFHVURJKSA-N -1 1 387.444 1.668 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@@]1(C)C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001573852342 950301557 /nfs/dbraw/zinc/30/15/57/950301557.db2.gz FPRWJHODEVQABJ-SFHVURJKSA-N -1 1 387.444 1.668 20 0 GDADMM O=C([O-])CC[C@H]1CCCCN1C(=O)CNC(=O)c1c[nH]c2ccccc2c1=O ZINC000263163947 950305980 /nfs/dbraw/zinc/30/59/80/950305980.db2.gz PEAIPQBTNLAQDJ-CYBMUJFWSA-N -1 1 385.420 1.916 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[C@](C)(O)C1CC1 ZINC001574159792 950319551 /nfs/dbraw/zinc/31/95/51/950319551.db2.gz IZPSNIQCSWDVOJ-UGSOOPFHSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[C@](C)(O)C1CC1 ZINC001574159792 950319571 /nfs/dbraw/zinc/31/95/71/950319571.db2.gz IZPSNIQCSWDVOJ-UGSOOPFHSA-N -1 1 388.476 1.151 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001574501225 950327664 /nfs/dbraw/zinc/32/76/64/950327664.db2.gz BOLMQPICVUVNNX-GDBMZVCRSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001574501225 950327685 /nfs/dbraw/zinc/32/76/85/950327685.db2.gz BOLMQPICVUVNNX-GDBMZVCRSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001574501310 950331514 /nfs/dbraw/zinc/33/15/14/950331514.db2.gz CWKOEXBECNHGEP-UWVGGRQHSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001574501310 950331537 /nfs/dbraw/zinc/33/15/37/950331537.db2.gz CWKOEXBECNHGEP-UWVGGRQHSA-N -1 1 384.366 1.188 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CC[C@@H]1CCCO1 ZINC001574160599 950339981 /nfs/dbraw/zinc/33/99/81/950339981.db2.gz OXYLAOJYXLKMIB-KBPBESRZSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CC[C@@H]1CCCO1 ZINC001574160599 950339995 /nfs/dbraw/zinc/33/99/95/950339995.db2.gz OXYLAOJYXLKMIB-KBPBESRZSA-N -1 1 388.476 1.559 20 0 GDADMM CC1(C(=O)NCCC2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)CCCC1 ZINC001575595186 950351230 /nfs/dbraw/zinc/35/12/30/950351230.db2.gz YICOUVWRFWUKKH-UHFFFAOYSA-N -1 1 384.488 1.960 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cc1cccs1 ZINC001574161827 950368207 /nfs/dbraw/zinc/36/82/07/950368207.db2.gz YBZATKORCKJQRJ-LBPRGKRZSA-N -1 1 386.485 1.904 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cc1cccs1 ZINC001574161827 950368226 /nfs/dbraw/zinc/36/82/26/950368226.db2.gz YBZATKORCKJQRJ-LBPRGKRZSA-N -1 1 386.485 1.904 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CCC1(F)F ZINC001574162126 950372396 /nfs/dbraw/zinc/37/23/96/950372396.db2.gz ZMLUCQNEQKATSN-MNOVXSKESA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCC1(F)F ZINC001574162126 950372419 /nfs/dbraw/zinc/37/24/19/950372419.db2.gz ZMLUCQNEQKATSN-MNOVXSKESA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)c1cc(C(=O)N(C)C[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)n(C)n1 ZINC001574745006 950373224 /nfs/dbraw/zinc/37/32/24/950373224.db2.gz DYMUAJRMIYZOML-NSHDSACASA-N -1 1 384.448 1.086 20 0 GDADMM CC(C)c1cc(C(=O)N(C)C[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)n(C)n1 ZINC001574745006 950373244 /nfs/dbraw/zinc/37/32/44/950373244.db2.gz DYMUAJRMIYZOML-NSHDSACASA-N -1 1 384.448 1.086 20 0 GDADMM C[C@@]1(C(=O)NC[C@H]2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CCCOC1 ZINC001575596672 950382788 /nfs/dbraw/zinc/38/27/88/950382788.db2.gz HINTZQQFSQMQEU-VEVIJQCQSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@]1(C(=O)NC[C@H]2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CCCOC1 ZINC001575596672 950382803 /nfs/dbraw/zinc/38/28/03/950382803.db2.gz HINTZQQFSQMQEU-VEVIJQCQSA-N -1 1 386.460 1.170 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C1(CF)CCC1 ZINC001574162771 950400170 /nfs/dbraw/zinc/40/01/70/950400170.db2.gz ITNHQCINYNYZFY-GFCCVEGCSA-N -1 1 376.440 1.739 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C1(CF)CCC1 ZINC001574162771 950400193 /nfs/dbraw/zinc/40/01/93/950400193.db2.gz ITNHQCINYNYZFY-GFCCVEGCSA-N -1 1 376.440 1.739 20 0 GDADMM CC(C)(C)OC(=O)NC[C@H](NC(=O)Nc1ccnc(-c2nnn[n-]2)c1)C1CC1 ZINC001573860382 950422740 /nfs/dbraw/zinc/42/27/40/950422740.db2.gz IHKOZOXYKKERIS-ZDUSSCGKSA-N -1 1 388.432 1.687 20 0 GDADMM CC(C)(C)OC(=O)NC[C@H](NC(=O)Nc1ccnc(-c2nn[n-]n2)c1)C1CC1 ZINC001573860382 950422752 /nfs/dbraw/zinc/42/27/52/950422752.db2.gz IHKOZOXYKKERIS-ZDUSSCGKSA-N -1 1 388.432 1.687 20 0 GDADMM CC1(C(=O)NCc2cccc3c2CCN(c2cnc(-c4nnn[n-]4)cn2)C3)CC1 ZINC001575599161 950426875 /nfs/dbraw/zinc/42/68/75/950426875.db2.gz FRCOFSFAOVIWHC-UHFFFAOYSA-N -1 1 390.451 1.636 20 0 GDADMM CC1(C(=O)NCc2cccc3c2CCN(c2cnc(-c4nn[n-]n4)cn2)C3)CC1 ZINC001575599161 950426893 /nfs/dbraw/zinc/42/68/93/950426893.db2.gz FRCOFSFAOVIWHC-UHFFFAOYSA-N -1 1 390.451 1.636 20 0 GDADMM CC(C)(C)OC(=O)NOCC(=O)NCc1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001573861031 950436488 /nfs/dbraw/zinc/43/64/88/950436488.db2.gz PRWBBKKJUKRLQO-UHFFFAOYSA-N -1 1 384.343 1.217 20 0 GDADMM CC(C)(C)OC(=O)NOCC(=O)NCc1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001573861031 950436498 /nfs/dbraw/zinc/43/64/98/950436498.db2.gz PRWBBKKJUKRLQO-UHFFFAOYSA-N -1 1 384.343 1.217 20 0 GDADMM CC1(C(=O)NCc2ccc3c(c2)CN(c2cnc(-c4nnn[n-]4)cn2)C3)CC1 ZINC001575600530 950439607 /nfs/dbraw/zinc/43/96/07/950439607.db2.gz ZQMJWPBGBBKSHK-UHFFFAOYSA-N -1 1 376.424 1.593 20 0 GDADMM CC1(C(=O)NCc2ccc3c(c2)CN(c2cnc(-c4nn[n-]n4)cn2)C3)CC1 ZINC001575600530 950439623 /nfs/dbraw/zinc/43/96/23/950439623.db2.gz ZQMJWPBGBBKSHK-UHFFFAOYSA-N -1 1 376.424 1.593 20 0 GDADMM C[C@@H](CC(=O)N[C@@H](C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C1CC1 ZINC001574506787 950441434 /nfs/dbraw/zinc/44/14/34/950441434.db2.gz FQWOGHGFFKMHDR-STQMWFEESA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](CC(=O)N[C@@H](C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C1CC1 ZINC001574506787 950441444 /nfs/dbraw/zinc/44/14/44/950441444.db2.gz FQWOGHGFFKMHDR-STQMWFEESA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2coc(-c3nnn[n-]3)c2)CC[C@H]1F ZINC001573861646 950453388 /nfs/dbraw/zinc/45/33/88/950453388.db2.gz GQBUORXORREQFV-GHMZBOCLSA-N -1 1 380.380 1.537 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2coc(-c3nn[n-]n3)c2)CC[C@H]1F ZINC001573861646 950453398 /nfs/dbraw/zinc/45/33/98/950453398.db2.gz GQBUORXORREQFV-GHMZBOCLSA-N -1 1 380.380 1.537 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1ccncc1 ZINC001575913151 950479071 /nfs/dbraw/zinc/47/90/71/950479071.db2.gz IVNBLLCKHYNDDZ-JSGCOSHPSA-N -1 1 379.428 1.086 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCc1ccncc1 ZINC001575913151 950479083 /nfs/dbraw/zinc/47/90/83/950479083.db2.gz IVNBLLCKHYNDDZ-JSGCOSHPSA-N -1 1 379.428 1.086 20 0 GDADMM CC(C)CC1(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)CCC1 ZINC001574167562 950484123 /nfs/dbraw/zinc/48/41/23/950484123.db2.gz FARGUIVZTJXLSX-VIKVFOODSA-N -1 1 382.472 1.424 20 0 GDADMM CC(C)CC1(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]32)CCC1 ZINC001574167562 950484138 /nfs/dbraw/zinc/48/41/38/950484138.db2.gz FARGUIVZTJXLSX-VIKVFOODSA-N -1 1 382.472 1.424 20 0 GDADMM CC(C)(C)OCC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001573866688 950510432 /nfs/dbraw/zinc/51/04/32/950510432.db2.gz IWTPBGFKJVKQJS-BETUJISGSA-N -1 1 386.460 1.042 20 0 GDADMM CC(C)(C)OCC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001573866688 950510445 /nfs/dbraw/zinc/51/04/45/950510445.db2.gz IWTPBGFKJVKQJS-BETUJISGSA-N -1 1 386.460 1.042 20 0 GDADMM C[C@H](CN(C)C(=O)c1cccc(C(F)F)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574753528 950525612 /nfs/dbraw/zinc/52/56/12/950525612.db2.gz OKZXXOLOVUFARZ-SNVBAGLBSA-N -1 1 388.382 1.589 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001574509742 950532260 /nfs/dbraw/zinc/53/22/60/950532260.db2.gz XSNFZOVLTREXNJ-OPRDCNLKSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001574509742 950532274 /nfs/dbraw/zinc/53/22/74/950532274.db2.gz XSNFZOVLTREXNJ-OPRDCNLKSA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C12CCC2 ZINC001573868539 950539933 /nfs/dbraw/zinc/53/99/33/950539933.db2.gz DHULWIWUCQXUOK-VXGBXAGGSA-N -1 1 386.460 1.311 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C12CCC2 ZINC001573868539 950539942 /nfs/dbraw/zinc/53/99/42/950539942.db2.gz DHULWIWUCQXUOK-VXGBXAGGSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@]1(C(=O)N[C@H]2C[C@H](Nc3snc(Cl)c3-c3nnn[n-]3)C2)CCOC1 ZINC001575614633 950544614 /nfs/dbraw/zinc/54/46/14/950544614.db2.gz KQLHBQIRTMURRA-WFEFGEHDSA-N -1 1 383.865 1.462 20 0 GDADMM C[C@@]1(C(=O)N[C@H]2C[C@H](Nc3snc(Cl)c3-c3nn[n-]n3)C2)CCOC1 ZINC001575614633 950544640 /nfs/dbraw/zinc/54/46/40/950544640.db2.gz KQLHBQIRTMURRA-WFEFGEHDSA-N -1 1 383.865 1.462 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C)c1ccco1 ZINC001574510766 950546093 /nfs/dbraw/zinc/54/60/93/950546093.db2.gz ACPRKFLACNRSKA-JHJVBQTASA-N -1 1 382.428 1.384 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cc(C2CC2)on1 ZINC001575916575 950546371 /nfs/dbraw/zinc/54/63/71/950546371.db2.gz QODDOWRWCBAJEM-MWLCHTKSSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cc(C2CC2)on1 ZINC001575916575 950546386 /nfs/dbraw/zinc/54/63/86/950546386.db2.gz QODDOWRWCBAJEM-MWLCHTKSSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)ccc1F)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574999001 950563978 /nfs/dbraw/zinc/56/39/78/950563978.db2.gz CNMDLFGIWRVMAC-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)ccc1F)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574999001 950563993 /nfs/dbraw/zinc/56/39/93/950563993.db2.gz CNMDLFGIWRVMAC-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)C1Cc2ccccc2C1 ZINC001575917408 950570273 /nfs/dbraw/zinc/57/02/73/950570273.db2.gz XJIOPWGMMJQRNJ-WBMJQRKESA-N -1 1 390.451 1.473 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)C1Cc2ccccc2C1 ZINC001575917408 950570299 /nfs/dbraw/zinc/57/02/99/950570299.db2.gz XJIOPWGMMJQRNJ-WBMJQRKESA-N -1 1 390.451 1.473 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575615801 950575901 /nfs/dbraw/zinc/57/59/01/950575901.db2.gz HYZBTUJDDBCNSJ-GFCCVEGCSA-N -1 1 384.488 1.989 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575615801 950575926 /nfs/dbraw/zinc/57/59/26/950575926.db2.gz HYZBTUJDDBCNSJ-GFCCVEGCSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)CCC(=O)N1CCC2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001574172113 950579573 /nfs/dbraw/zinc/57/95/73/950579573.db2.gz ZDJIZRIGDZCTQG-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)CCC(=O)N1CCC2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001574172113 950579590 /nfs/dbraw/zinc/57/95/90/950579590.db2.gz ZDJIZRIGDZCTQG-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC1(C)C(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nnn[n-]3)n2)C1(C)C ZINC001575616154 950581180 /nfs/dbraw/zinc/58/11/80/950581180.db2.gz MQVFAXGPYJVDFX-MDZLAQPJSA-N -1 1 382.472 1.565 20 0 GDADMM CC1(C)C(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nn[n-]n3)n2)C1(C)C ZINC001575616154 950581195 /nfs/dbraw/zinc/58/11/95/950581195.db2.gz MQVFAXGPYJVDFX-MDZLAQPJSA-N -1 1 382.472 1.565 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)ccc1F)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574999789 950588060 /nfs/dbraw/zinc/58/80/60/950588060.db2.gz NSKBIYBRPUROEI-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)ccc1F)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574999789 950588079 /nfs/dbraw/zinc/58/80/79/950588079.db2.gz NSKBIYBRPUROEI-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C)n1cccc1 ZINC001574513232 950599011 /nfs/dbraw/zinc/59/90/11/950599011.db2.gz LAIYUCAUCUQEIM-MCIONIFRSA-N -1 1 381.444 1.193 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C)n1cccc1 ZINC001574513232 950599026 /nfs/dbraw/zinc/59/90/26/950599026.db2.gz LAIYUCAUCUQEIM-MCIONIFRSA-N -1 1 381.444 1.193 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575617280 950600780 /nfs/dbraw/zinc/60/07/80/950600780.db2.gz ZPIBWMKGIIPRKD-HAQNSBGRSA-N -1 1 384.488 1.458 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)cc(Cl)c1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575000413 950605532 /nfs/dbraw/zinc/60/55/32/950605532.db2.gz CPJPEDRSLYZWMS-SECBINFHSA-N -1 1 390.810 1.349 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C)n1cccc1 ZINC001574513498 950609076 /nfs/dbraw/zinc/60/90/76/950609076.db2.gz QZWDFXCGIHVCTK-MCIONIFRSA-N -1 1 381.444 1.193 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C)n1cccc1 ZINC001574513498 950609088 /nfs/dbraw/zinc/60/90/88/950609088.db2.gz QZWDFXCGIHVCTK-MCIONIFRSA-N -1 1 381.444 1.193 20 0 GDADMM C[C@H](CN(C)C(=O)c1cccnn1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574758966 950622130 /nfs/dbraw/zinc/62/21/30/950622130.db2.gz IJZRUSRQDREERI-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CN(C)C(=O)c1cccnn1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574758966 950622147 /nfs/dbraw/zinc/62/21/47/950622147.db2.gz IJZRUSRQDREERI-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cnc(C2CC2)o1 ZINC001575920507 950630891 /nfs/dbraw/zinc/63/08/91/950630891.db2.gz MISZEDZKRRLYPP-KOLCDFICSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cnc(C2CC2)o1 ZINC001575920507 950630915 /nfs/dbraw/zinc/63/09/15/950630915.db2.gz MISZEDZKRRLYPP-KOLCDFICSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)ccc1Cl)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575001505 950632753 /nfs/dbraw/zinc/63/27/53/950632753.db2.gz LTOZQUUIAWCYIR-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)ccc1Cl)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575001505 950632762 /nfs/dbraw/zinc/63/27/62/950632762.db2.gz LTOZQUUIAWCYIR-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM CC(C)CCC(=O)N[C@@H]1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001574174532 950633919 /nfs/dbraw/zinc/63/39/19/950633919.db2.gz JIABLNQPDWJACJ-RRFJBIMHSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)CCC(=O)N[C@@H]1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001574174532 950633930 /nfs/dbraw/zinc/63/39/30/950633930.db2.gz JIABLNQPDWJACJ-RRFJBIMHSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)ccc1Cl)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575001928 950644919 /nfs/dbraw/zinc/64/49/19/950644919.db2.gz PIRLXKPPBIXLOM-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1cc2c(o1)CCCC2)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575003104 950672757 /nfs/dbraw/zinc/67/27/57/950672757.db2.gz XZKFAWNIMIEXLN-NSHDSACASA-N -1 1 382.428 1.383 20 0 GDADMM C[C@@H](CNC(=O)c1cc2c(o1)CCCC2)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575003104 950672771 /nfs/dbraw/zinc/67/27/71/950672771.db2.gz XZKFAWNIMIEXLN-NSHDSACASA-N -1 1 382.428 1.383 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)cc(Cl)c1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575002853 950673866 /nfs/dbraw/zinc/67/38/66/950673866.db2.gz XQISLCRUMGDVGQ-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)cc(Cl)c1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575002853 950673880 /nfs/dbraw/zinc/67/38/80/950673880.db2.gz XQISLCRUMGDVGQ-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)[C@H]1CCCO1 ZINC001574519417 950682833 /nfs/dbraw/zinc/68/28/33/950682833.db2.gz VCGFVGLNHRXNGX-PWNZVWSESA-N -1 1 386.460 1.169 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)[C@H]1CCCO1 ZINC001574519417 950682845 /nfs/dbraw/zinc/68/28/45/950682845.db2.gz VCGFVGLNHRXNGX-PWNZVWSESA-N -1 1 386.460 1.169 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1ccncc1 ZINC001575925475 950683432 /nfs/dbraw/zinc/68/34/32/950683432.db2.gz GZWZURPFLNQKJV-OCCSQVGLSA-N -1 1 379.428 1.086 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1ccncc1 ZINC001575925475 950683443 /nfs/dbraw/zinc/68/34/43/950683443.db2.gz GZWZURPFLNQKJV-OCCSQVGLSA-N -1 1 379.428 1.086 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@]12CCC[C@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001573877830 950696607 /nfs/dbraw/zinc/69/66/07/950696607.db2.gz HQPYOWWNIGKWBO-ZCVOSGHJSA-N -1 1 396.499 1.957 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@]12CCC[C@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001573877830 950696620 /nfs/dbraw/zinc/69/66/20/950696620.db2.gz HQPYOWWNIGKWBO-ZCVOSGHJSA-N -1 1 396.499 1.957 20 0 GDADMM CC1(C)CC(C(=O)N2CC[C@@H]3[C@H](CCN3c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001575625885 950701986 /nfs/dbraw/zinc/70/19/86/950701986.db2.gz ZTOFXZBFZIXJCB-IUODEOHRSA-N -1 1 382.472 1.520 20 0 GDADMM CC1(C)CC(C(=O)N2CC[C@@H]3[C@H](CCN3c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001575625885 950702001 /nfs/dbraw/zinc/70/20/01/950702001.db2.gz ZTOFXZBFZIXJCB-IUODEOHRSA-N -1 1 382.472 1.520 20 0 GDADMM C[C@H](CNC(=O)c1cc2n(c1)CCCC2)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575006072 950712921 /nfs/dbraw/zinc/71/29/21/950712921.db2.gz RMXORESVTOWQBQ-GFCCVEGCSA-N -1 1 381.444 1.049 20 0 GDADMM C[C@H](CNC(=O)c1cc2n(c1)CCCC2)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575006072 950712937 /nfs/dbraw/zinc/71/29/37/950712937.db2.gz RMXORESVTOWQBQ-GFCCVEGCSA-N -1 1 381.444 1.049 20 0 GDADMM CC1(C)CC(C(=O)NC[C@@]2(C)CCCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001575628244 950714254 /nfs/dbraw/zinc/71/42/54/950714254.db2.gz AMRDYSYBCHBMBD-LJQANCHMSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C)CC(C(=O)NC[C@@]2(C)CCCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001575628244 950714276 /nfs/dbraw/zinc/71/42/76/950714276.db2.gz AMRDYSYBCHBMBD-LJQANCHMSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C2CCC2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576215927 950716960 /nfs/dbraw/zinc/71/69/60/950716960.db2.gz CGXKZLBWJAGUKM-STQMWFEESA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C2CCC2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576215927 950716977 /nfs/dbraw/zinc/71/69/77/950716977.db2.gz CGXKZLBWJAGUKM-STQMWFEESA-N -1 1 384.488 1.989 20 0 GDADMM CC1(C)CC(C(=O)NC[C@@H](CO)Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001575628499 950719884 /nfs/dbraw/zinc/71/98/84/950719884.db2.gz DRAIUPYVQREOMB-QMMMGPOBSA-N -1 1 385.881 1.302 20 0 GDADMM CC1(C)CC(C(=O)NC[C@@H](CO)Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001575628499 950719896 /nfs/dbraw/zinc/71/98/96/950719896.db2.gz DRAIUPYVQREOMB-QMMMGPOBSA-N -1 1 385.881 1.302 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001573878751 950724704 /nfs/dbraw/zinc/72/47/04/950724704.db2.gz ZXMZCZKPIGBNHS-BFHYXJOUSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001573878751 950724719 /nfs/dbraw/zinc/72/47/19/950724719.db2.gz ZXMZCZKPIGBNHS-BFHYXJOUSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC001576216102 950724877 /nfs/dbraw/zinc/72/48/77/950724877.db2.gz YOTARESOSCSCFJ-OLZOCXBDSA-N -1 1 384.444 1.840 20 0 GDADMM C[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC001576216102 950724886 /nfs/dbraw/zinc/72/48/86/950724886.db2.gz YOTARESOSCSCFJ-OLZOCXBDSA-N -1 1 384.444 1.840 20 0 GDADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cccc(F)c1F ZINC001575927030 950731798 /nfs/dbraw/zinc/73/17/98/950731798.db2.gz ZSZDBURNZWOCKP-JOYOIKCWSA-N -1 1 386.366 1.072 20 0 GDADMM CC1(C)CC(C(=O)NC2(CCO)CN(Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001575629544 950739201 /nfs/dbraw/zinc/73/92/01/950739201.db2.gz OYWWLJYHLUVNHM-UHFFFAOYSA-N -1 1 390.513 1.417 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)Cc1cccc(F)c1 ZINC001575927725 950750859 /nfs/dbraw/zinc/75/08/59/950750859.db2.gz SWZWQGYYLGAOIT-BXUZGUMPSA-N -1 1 382.403 1.440 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)Cc1cccc(F)c1 ZINC001575927725 950750863 /nfs/dbraw/zinc/75/08/63/950750863.db2.gz SWZWQGYYLGAOIT-BXUZGUMPSA-N -1 1 382.403 1.440 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)Cc1cccc(F)c1 ZINC001575927728 950753057 /nfs/dbraw/zinc/75/30/57/950753057.db2.gz SWZWQGYYLGAOIT-SMDDNHRTSA-N -1 1 382.403 1.440 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)Cc1cccc(F)c1 ZINC001575927728 950753071 /nfs/dbraw/zinc/75/30/71/950753071.db2.gz SWZWQGYYLGAOIT-SMDDNHRTSA-N -1 1 382.403 1.440 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576217369 950758324 /nfs/dbraw/zinc/75/83/24/950758324.db2.gz GZYLOSUZTDJWKM-GXSJLCMTSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576217369 950758340 /nfs/dbraw/zinc/75/83/40/950758340.db2.gz GZYLOSUZTDJWKM-GXSJLCMTSA-N -1 1 378.387 1.351 20 0 GDADMM CC(C)(C)c1cccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)CC2)c1 ZINC001573881983 950766102 /nfs/dbraw/zinc/76/61/02/950766102.db2.gz MNGUIIWHQVDBIU-UHFFFAOYSA-N -1 1 392.467 1.917 20 0 GDADMM CC(C)(C)c1cccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)CC2)c1 ZINC001573881983 950766128 /nfs/dbraw/zinc/76/61/28/950766128.db2.gz MNGUIIWHQVDBIU-UHFFFAOYSA-N -1 1 392.467 1.917 20 0 GDADMM C[C@@H](CN(C)C(=O)c1csc(Cl)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001574765021 950768231 /nfs/dbraw/zinc/76/82/31/950768231.db2.gz BWAHMLACTYHPEC-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CN(C)C(=O)c1csc(Cl)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001574765021 950768243 /nfs/dbraw/zinc/76/82/43/950768243.db2.gz BWAHMLACTYHPEC-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM CC1(C)CC(C(=O)N[C@]23CCC[C@H]2CN(c2nccnc2-c2nnn[n-]2)C3)C1 ZINC001575631081 950769966 /nfs/dbraw/zinc/76/99/66/950769966.db2.gz JKAXSGUFJQMAHL-DJJJIMSYSA-N -1 1 382.472 1.568 20 0 GDADMM CC1(C)CC(C(=O)N[C@]23CCC[C@H]2CN(c2nccnc2-c2nn[n-]n2)C3)C1 ZINC001575631081 950769983 /nfs/dbraw/zinc/76/99/83/950769983.db2.gz JKAXSGUFJQMAHL-DJJJIMSYSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576218166 950783205 /nfs/dbraw/zinc/78/32/05/950783205.db2.gz LGGYNNNPEXZPCK-VHSXEESVSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576218166 950783219 /nfs/dbraw/zinc/78/32/19/950783219.db2.gz LGGYNNNPEXZPCK-VHSXEESVSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ocnc1C(F)F ZINC001575930695 950795433 /nfs/dbraw/zinc/79/54/33/950795433.db2.gz GECCRKOZDMMOHD-YUMQZZPRSA-N -1 1 391.342 1.297 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ocnc1C(F)F ZINC001575930695 950795447 /nfs/dbraw/zinc/79/54/47/950795447.db2.gz GECCRKOZDMMOHD-YUMQZZPRSA-N -1 1 391.342 1.297 20 0 GDADMM CC1(C)CC(CC(=O)N2CC[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]32)C1 ZINC001575632553 950798929 /nfs/dbraw/zinc/79/89/29/950798929.db2.gz LSYAYTZAZWFYHP-UONOGXRCSA-N -1 1 382.472 1.520 20 0 GDADMM CC1(C)CC(CC(=O)N2CC[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]32)C1 ZINC001575632553 950798946 /nfs/dbraw/zinc/79/89/46/950798946.db2.gz LSYAYTZAZWFYHP-UONOGXRCSA-N -1 1 382.472 1.520 20 0 GDADMM CC(C)(C)c1nnc(CNC(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)[nH]1 ZINC001573885049 950812763 /nfs/dbraw/zinc/81/27/63/950812763.db2.gz NKQHDWMSNBAOPF-UHFFFAOYSA-N -1 1 382.841 1.714 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576219993 950820171 /nfs/dbraw/zinc/82/01/71/950820171.db2.gz PMJIGOXJKQOILS-QWRGUYRKSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576219993 950820190 /nfs/dbraw/zinc/82/01/90/950820190.db2.gz PMJIGOXJKQOILS-QWRGUYRKSA-N -1 1 392.414 1.599 20 0 GDADMM CC(C)CCCC(=O)N1CCCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001574187001 950822589 /nfs/dbraw/zinc/82/25/89/950822589.db2.gz LPDIKRQDMBWUSX-AWEZNQCLSA-N -1 1 388.476 1.512 20 0 GDADMM CC(C)CCCC(=O)N1CCCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001574187001 950822609 /nfs/dbraw/zinc/82/26/09/950822609.db2.gz LPDIKRQDMBWUSX-AWEZNQCLSA-N -1 1 388.476 1.512 20 0 GDADMM CC1(C)C[C@@H](NC(=O)[C@@H]2CC2(F)F)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575638396 950825570 /nfs/dbraw/zinc/82/55/70/950825570.db2.gz BHKZSOJWZOUWAK-QWRGUYRKSA-N -1 1 392.414 1.423 20 0 GDADMM CC(C)C(C)(C)C(=O)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001576220187 950826736 /nfs/dbraw/zinc/82/67/36/950826736.db2.gz VYQSTHFZAFYTOU-ZIAGYGMSSA-N -1 1 386.504 1.657 20 0 GDADMM C[C@H](CN(C)C(=O)c1onc2c1CCCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574767416 950852921 /nfs/dbraw/zinc/85/29/21/950852921.db2.gz NZBXWIHZCFCYHO-SNVBAGLBSA-N -1 1 383.416 1.096 20 0 GDADMM C[C@H](CN(C)C(=O)c1onc2c1CCCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574767416 950852938 /nfs/dbraw/zinc/85/29/38/950852938.db2.gz NZBXWIHZCFCYHO-SNVBAGLBSA-N -1 1 383.416 1.096 20 0 GDADMM CC1(C)C[C@@H](NC(=O)[C@H]2CC2(F)F)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575640096 950885426 /nfs/dbraw/zinc/88/54/26/950885426.db2.gz XASAGXXZJXZFBB-WDEREUQCSA-N -1 1 392.414 1.423 20 0 GDADMM CC1(C)C[C@@H](NC(=O)[C@H]2CC2(F)F)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575640096 950885437 /nfs/dbraw/zinc/88/54/37/950885437.db2.gz XASAGXXZJXZFBB-WDEREUQCSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)CCCCC2)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576226756 950886331 /nfs/dbraw/zinc/88/63/31/950886331.db2.gz ALKFWXIWOIKIEY-ZIAGYGMSSA-N -1 1 384.488 1.698 20 0 GDADMM C[C@H](CN(C)C(=O)c1scnc1Cl)Nc1nccnc1-c1nnn[n-]1 ZINC001574768281 950887204 /nfs/dbraw/zinc/88/72/04/950887204.db2.gz SUHKPBQMWTTXKL-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CN(C)C(=O)c1scnc1Cl)Nc1nccnc1-c1nn[n-]n1 ZINC001574768281 950887218 /nfs/dbraw/zinc/88/72/18/950887218.db2.gz SUHKPBQMWTTXKL-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM CC1(C)CC(CNC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC(C)(C)C1 ZINC001575640244 950890477 /nfs/dbraw/zinc/89/04/77/950890477.db2.gz YUPCBNOGTVADDV-UHFFFAOYSA-N -1 1 389.460 1.098 20 0 GDADMM CC(C)(CC(=O)N1CC[C@@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001573893868 950907467 /nfs/dbraw/zinc/90/74/67/950907467.db2.gz ZYQAAWNWJTXYCD-CYBMUJFWSA-N -1 1 384.488 1.555 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1ccccn1 ZINC001575936212 950907455 /nfs/dbraw/zinc/90/74/55/950907455.db2.gz CVCVGZRBXVIGIM-TZMCWYRMSA-N -1 1 379.428 1.086 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1ccccn1 ZINC001575936212 950907469 /nfs/dbraw/zinc/90/74/69/950907469.db2.gz CVCVGZRBXVIGIM-TZMCWYRMSA-N -1 1 379.428 1.086 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ocnc1C1CC1 ZINC001575936612 950923016 /nfs/dbraw/zinc/92/30/16/950923016.db2.gz GQXIWVDIVLKVIS-KOLCDFICSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ocnc1C1CC1 ZINC001575936612 950923032 /nfs/dbraw/zinc/92/30/32/950923032.db2.gz GQXIWVDIVLKVIS-KOLCDFICSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCCn1cccc1 ZINC001575936740 950925396 /nfs/dbraw/zinc/92/53/96/950925396.db2.gz HYJQYEDLHHTKTQ-KGLIPLIRSA-N -1 1 381.444 1.340 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCCn1cccc1 ZINC001575936740 950925407 /nfs/dbraw/zinc/92/54/07/950925407.db2.gz HYJQYEDLHHTKTQ-KGLIPLIRSA-N -1 1 381.444 1.340 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cccc2c1OCC2 ZINC001575936773 950928448 /nfs/dbraw/zinc/92/84/48/950928448.db2.gz IBRBZJBYVYJMKW-SMDDNHRTSA-N -1 1 392.423 1.307 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cccc2c1OCC2 ZINC001575936773 950928465 /nfs/dbraw/zinc/92/84/65/950928465.db2.gz IBRBZJBYVYJMKW-SMDDNHRTSA-N -1 1 392.423 1.307 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576228556 950944438 /nfs/dbraw/zinc/94/44/38/950944438.db2.gz HPZYHHTVQHSEOV-ZJUUUORDSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576228556 950944447 /nfs/dbraw/zinc/94/44/47/950944447.db2.gz HPZYHHTVQHSEOV-ZJUUUORDSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@H]1CN(C(=O)C2(C3CCC3)CCC2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576228616 950949182 /nfs/dbraw/zinc/94/91/82/950949182.db2.gz HWUXVZTZCQDJDC-SWLSCSKDSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@H]1CN(C(=O)C2(C3CCC3)CCC2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576228616 950949195 /nfs/dbraw/zinc/94/91/95/950949195.db2.gz HWUXVZTZCQDJDC-SWLSCSKDSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@@H]1C[C@@H](C(=O)N(C)C2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)CCO1 ZINC001575937545 950950931 /nfs/dbraw/zinc/95/09/31/950950931.db2.gz FVODQMCBGOWKAN-NEPJUHHUSA-N -1 1 376.486 1.386 20 0 GDADMM CC1(C)C[C@H]1C(=O)N1CCC[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001575643071 950956959 /nfs/dbraw/zinc/95/69/59/950956959.db2.gz KCNFELQYKVNJRM-ORAYPTAESA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)C[C@H]1C(=O)N1CCC[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001575643071 950956972 /nfs/dbraw/zinc/95/69/72/950956972.db2.gz KCNFELQYKVNJRM-ORAYPTAESA-N -1 1 382.472 1.522 20 0 GDADMM CC(C)(CC(=O)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C(F)(F)F ZINC001573897767 950966905 /nfs/dbraw/zinc/96/69/05/950966905.db2.gz RSHUWAKQQZKZDA-UHFFFAOYSA-N -1 1 384.366 1.284 20 0 GDADMM CC(C)(CC(=O)NC[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001573898132 950974873 /nfs/dbraw/zinc/97/48/73/950974873.db2.gz XPBRBBKAZBKQJM-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H]1[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCN1C(=O)c1cnon1 ZINC001575938316 950977659 /nfs/dbraw/zinc/97/76/59/950977659.db2.gz KGMCEZAEEKYLFU-NTSWFWBYSA-N -1 1 381.809 1.075 20 0 GDADMM C[C@H]1[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCN1C(=O)c1cnon1 ZINC001575938316 950977676 /nfs/dbraw/zinc/97/76/76/950977676.db2.gz KGMCEZAEEKYLFU-NTSWFWBYSA-N -1 1 381.809 1.075 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573899499 950979577 /nfs/dbraw/zinc/97/95/77/950979577.db2.gz AYLLWQRWUZDPPH-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573899499 950979584 /nfs/dbraw/zinc/97/95/84/950979584.db2.gz AYLLWQRWUZDPPH-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H]1CN(C(=O)C2CC3(CCC3)C2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576229688 950980584 /nfs/dbraw/zinc/98/05/84/950980584.db2.gz NWZUAGLDDMJCHJ-GXTWGEPZSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@H]1CN(C(=O)C2CC3(CCC3)C2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576229688 950980602 /nfs/dbraw/zinc/98/06/02/950980602.db2.gz NWZUAGLDDMJCHJ-GXTWGEPZSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)F)cc1F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575017301 950984733 /nfs/dbraw/zinc/98/47/33/950984733.db2.gz CWKSVLRLXFPXBV-MRVPVSSYSA-N -1 1 392.345 1.964 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)F)cc1F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575017301 950984751 /nfs/dbraw/zinc/98/47/51/950984751.db2.gz CWKSVLRLXFPXBV-MRVPVSSYSA-N -1 1 392.345 1.964 20 0 GDADMM CC(C)(CC(=O)NC[C@H]1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001573899555 950985306 /nfs/dbraw/zinc/98/53/06/950985306.db2.gz DUYNTUSNIABLIS-GXTWGEPZSA-N -1 1 384.488 1.602 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)c(F)c1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575022767 951072219 /nfs/dbraw/zinc/07/22/19/951072219.db2.gz JCYWHYFPQYVKKW-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)c(F)c1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575022767 951072230 /nfs/dbraw/zinc/07/22/30/951072230.db2.gz JCYWHYFPQYVKKW-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)c(F)c1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575024205 951095952 /nfs/dbraw/zinc/09/59/52/951095952.db2.gz XWBHSJXSWGVLME-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM CCOC(=O)c1n[nH]c([C@H](CC(C)C)NC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)n1 ZINC001591278934 951108363 /nfs/dbraw/zinc/10/83/63/951108363.db2.gz BCLSRTLLWTUQMC-UPJWGTAASA-N -1 1 396.444 1.455 20 0 GDADMM C[C@H](CNC(=O)c1ccc2n[nH]cc2c1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575024847 951118218 /nfs/dbraw/zinc/11/82/18/951118218.db2.gz NZNWTSDTVJCZDE-JTQLQIEISA-N -1 1 378.400 1.011 20 0 GDADMM C[C@H](CNC(=O)c1ccc2n[nH]cc2c1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575024847 951118227 /nfs/dbraw/zinc/11/82/27/951118227.db2.gz NZNWTSDTVJCZDE-JTQLQIEISA-N -1 1 378.400 1.011 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCC=C2)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575024823 951118784 /nfs/dbraw/zinc/11/87/84/951118784.db2.gz NHWUXQNDYKJXOD-CYBMUJFWSA-N -1 1 390.451 1.871 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCC=C2)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575024823 951118790 /nfs/dbraw/zinc/11/87/90/951118790.db2.gz NHWUXQNDYKJXOD-CYBMUJFWSA-N -1 1 390.451 1.871 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(Cl)c1F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575025787 951133494 /nfs/dbraw/zinc/13/34/94/951133494.db2.gz AJHVMTPPGFCUEN-QMMMGPOBSA-N -1 1 376.783 1.102 20 0 GDADMM C[C@H](CNC(=O)c1cccc(C(F)F)c1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575025827 951133745 /nfs/dbraw/zinc/13/37/45/951133745.db2.gz BKSQKHXAGDWAJM-SNVBAGLBSA-N -1 1 388.382 1.849 20 0 GDADMM C[C@H](CNC(=O)c1cccc(C(F)F)c1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575025827 951133753 /nfs/dbraw/zinc/13/37/53/951133753.db2.gz BKSQKHXAGDWAJM-SNVBAGLBSA-N -1 1 388.382 1.849 20 0 GDADMM C[C@H](CNC(=O)c1cccc(-c2cnco2)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575027047 951151999 /nfs/dbraw/zinc/15/19/99/951151999.db2.gz OXBOIUQRWSGNCH-LLVKDONJSA-N -1 1 391.395 1.542 20 0 GDADMM C[C@H](CNC(=O)c1cccc(-c2cnco2)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575027047 951152007 /nfs/dbraw/zinc/15/20/07/951152007.db2.gz OXBOIUQRWSGNCH-LLVKDONJSA-N -1 1 391.395 1.542 20 0 GDADMM C[C@H](CNC(=O)c1cccc2c1O[C@H](C)C2)Nc1nccnc1-c1nnn[n-]1 ZINC001575029369 951183702 /nfs/dbraw/zinc/18/37/02/951183702.db2.gz TVTWAXTYANMTGW-GHMZBOCLSA-N -1 1 380.412 1.211 20 0 GDADMM C[C@H](CNC(=O)c1cccc2c1O[C@H](C)C2)Nc1nccnc1-c1nn[n-]n1 ZINC001575029369 951183709 /nfs/dbraw/zinc/18/37/09/951183709.db2.gz TVTWAXTYANMTGW-GHMZBOCLSA-N -1 1 380.412 1.211 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(C(F)F)c1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575029097 951183993 /nfs/dbraw/zinc/18/39/93/951183993.db2.gz ZINGLRHWJNBOLF-JTQLQIEISA-N -1 1 388.382 1.849 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(C(F)F)c1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575029097 951184001 /nfs/dbraw/zinc/18/40/01/951184001.db2.gz ZINGLRHWJNBOLF-JTQLQIEISA-N -1 1 388.382 1.849 20 0 GDADMM C[C@@H](CNC(=O)c1ccnnc1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575034124 951239060 /nfs/dbraw/zinc/23/90/60/951239060.db2.gz IEHXSJFWCLFEOA-ZETCQYMHSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@H](CNC(=O)c1ccncn1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575034910 951261901 /nfs/dbraw/zinc/26/19/01/951261901.db2.gz QLDKEPOZYLVXPE-SSDOTTSWSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@H](CNC(=O)c1ccsc1C(F)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575037908 951310464 /nfs/dbraw/zinc/31/04/64/951310464.db2.gz FNOHBHPSRXXINH-SSDOTTSWSA-N -1 1 380.384 1.886 20 0 GDADMM C[C@H](CNC(=O)c1ccsc1C(F)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575037908 951310472 /nfs/dbraw/zinc/31/04/72/951310472.db2.gz FNOHBHPSRXXINH-SSDOTTSWSA-N -1 1 380.384 1.886 20 0 GDADMM C[C@@H](CNC(=O)c1ccsc1Cl)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575039656 951332139 /nfs/dbraw/zinc/33/21/39/951332139.db2.gz RHNWFYJQHDAHOQ-MRVPVSSYSA-N -1 1 378.849 1.272 20 0 GDADMM C[C@H](CNC(=O)c1coc(C(F)F)c1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575055791 951512441 /nfs/dbraw/zinc/51/24/41/951512441.db2.gz ABYYPANSCTTZQN-QMMMGPOBSA-N -1 1 378.343 1.665 20 0 GDADMM C[C@H](CNC(=O)c1coc(C(F)F)c1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575055791 951512446 /nfs/dbraw/zinc/51/24/46/951512446.db2.gz ABYYPANSCTTZQN-QMMMGPOBSA-N -1 1 378.343 1.665 20 0 GDADMM C[C@H](CNC(=O)c1coc(C2CCC2)n1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575056022 951516340 /nfs/dbraw/zinc/51/63/40/951516340.db2.gz DPLYHTZEVGIXPE-SNVBAGLBSA-N -1 1 383.416 1.167 20 0 GDADMM C[C@H](CNC(=O)c1coc(C2CCC2)n1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575056022 951516347 /nfs/dbraw/zinc/51/63/47/951516347.db2.gz DPLYHTZEVGIXPE-SNVBAGLBSA-N -1 1 383.416 1.167 20 0 GDADMM C[C@H](CNC(=O)c1csc(C2CC2)n1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575056640 951522371 /nfs/dbraw/zinc/52/23/71/951522371.db2.gz KFEWCODQCZQZOZ-SECBINFHSA-N -1 1 385.457 1.245 20 0 GDADMM C[C@H](CNC(=O)c1csc(C2CC2)n1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575056640 951522379 /nfs/dbraw/zinc/52/23/79/951522379.db2.gz KFEWCODQCZQZOZ-SECBINFHSA-N -1 1 385.457 1.245 20 0 GDADMM C[C@H](CNC(=O)c1csc(Cl)c1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575058933 951537052 /nfs/dbraw/zinc/53/70/52/951537052.db2.gz WVFXSSHQVCKDRB-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@@H](CNC(=O)c1csnn1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575062109 951565521 /nfs/dbraw/zinc/56/55/21/951565521.db2.gz TYOACMCFLQCTHR-YFKPBYRVSA-N -1 1 385.866 1.083 20 0 GDADMM C[C@H](CNC(=O)c1ocnc1C(F)F)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575067369 951609264 /nfs/dbraw/zinc/60/92/64/951609264.db2.gz RPUYDBUSPRGDDR-ZETCQYMHSA-N -1 1 379.331 1.060 20 0 GDADMM C[C@H](CNC(=O)c1ocnc1C(F)F)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575067369 951609269 /nfs/dbraw/zinc/60/92/69/951609269.db2.gz RPUYDBUSPRGDDR-ZETCQYMHSA-N -1 1 379.331 1.060 20 0 GDADMM C[C@H](CNC(=O)c1sccc1Cl)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575070699 951654378 /nfs/dbraw/zinc/65/43/78/951654378.db2.gz TZXCCGJIAAHRDZ-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@H](CNC(=O)c1sccc1Cl)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575070699 951654383 /nfs/dbraw/zinc/65/43/83/951654383.db2.gz TZXCCGJIAAHRDZ-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@H](CNC(=O)c1scnc1C(F)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575070903 951655112 /nfs/dbraw/zinc/65/51/12/951655112.db2.gz VMEAIOYQCOCCGD-ZCFIWIBFSA-N -1 1 381.372 1.281 20 0 GDADMM C[C@H](CNC(=O)c1scnc1C(F)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575070903 951655118 /nfs/dbraw/zinc/65/51/18/951655118.db2.gz VMEAIOYQCOCCGD-ZCFIWIBFSA-N -1 1 381.372 1.281 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cccnc1C(F)F ZINC001575133564 952106251 /nfs/dbraw/zinc/10/62/51/952106251.db2.gz LECPFURUPBDRSM-VIFPVBQESA-N -1 1 389.370 1.562 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cccnc1C(F)F ZINC001575133564 952106256 /nfs/dbraw/zinc/10/62/56/952106256.db2.gz LECPFURUPBDRSM-VIFPVBQESA-N -1 1 389.370 1.562 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001575134150 952109795 /nfs/dbraw/zinc/10/97/95/952109795.db2.gz MMNYYVUSPXTOQK-IAMHBRQHSA-N -1 1 392.467 1.893 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001575134150 952109800 /nfs/dbraw/zinc/10/98/00/952109800.db2.gz MMNYYVUSPXTOQK-IAMHBRQHSA-N -1 1 392.467 1.893 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)C1(Cc2ccccc2)CC1 ZINC001575135413 952117640 /nfs/dbraw/zinc/11/76/40/952117640.db2.gz RINKRTCCEQYAAB-AWEZNQCLSA-N -1 1 392.467 1.938 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)C1(Cc2ccccc2)CC1 ZINC001575135413 952117645 /nfs/dbraw/zinc/11/76/45/952117645.db2.gz RINKRTCCEQYAAB-AWEZNQCLSA-N -1 1 392.467 1.938 20 0 GDADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)CC1CC(F)(F)C1)C1CC1 ZINC001575135595 952119932 /nfs/dbraw/zinc/11/99/32/952119932.db2.gz LXVPYXMIGINCCP-INIZCTEOSA-N -1 1 392.414 1.211 20 0 GDADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)C1CC1 ZINC001575136321 952124729 /nfs/dbraw/zinc/12/47/29/952124729.db2.gz ONNPXOSXWRKUIN-QUHUKJRKSA-N -1 1 382.472 1.212 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)CC(C)(C)CC(F)F ZINC001575136740 952126951 /nfs/dbraw/zinc/12/69/51/952126951.db2.gz WCRYCRBXEFJSRJ-SNVBAGLBSA-N -1 1 382.419 1.987 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)CC(C)(C)CC(F)F ZINC001575136740 952126954 /nfs/dbraw/zinc/12/69/54/952126954.db2.gz WCRYCRBXEFJSRJ-SNVBAGLBSA-N -1 1 382.419 1.987 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001575141576 952144524 /nfs/dbraw/zinc/14/45/24/952144524.db2.gz IFHXNLYQGPDALT-AEGPPILISA-N -1 1 378.440 1.141 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)CC1(c2ccccc2)CC1 ZINC001575143353 952151012 /nfs/dbraw/zinc/15/10/12/952151012.db2.gz ORLQAFWFXMABEF-CQSZACIVSA-N -1 1 392.467 1.459 20 0 GDADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)Cc1ccccc1)C1CC1 ZINC001575143812 952157840 /nfs/dbraw/zinc/15/78/40/952157840.db2.gz SACHDMPWYSJGAM-LJQANCHMSA-N -1 1 378.440 1.018 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)Oc1cccc(Br)c1 ZINC001575143999 952161230 /nfs/dbraw/zinc/16/12/30/952161230.db2.gz FFEGMNQTDXNWCE-VIFPVBQESA-N -1 1 376.218 1.721 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cccc(F)c1Cl ZINC001575144661 952169526 /nfs/dbraw/zinc/16/95/26/952169526.db2.gz KARYJEMGZZRGEV-VIFPVBQESA-N -1 1 390.810 1.444 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1sccc1C1CC1 ZINC001575144871 952173150 /nfs/dbraw/zinc/17/31/50/952173150.db2.gz MYUHOGFVJQJOAD-SNVBAGLBSA-N -1 1 384.469 1.590 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cnc2ccccc2c1 ZINC001575144924 952173748 /nfs/dbraw/zinc/17/37/48/952173748.db2.gz NQRROTSCNUJXSI-GFCCVEGCSA-N -1 1 389.423 1.199 20 0 GDADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)[C@@H]1C[C@H]1C1CCC1)C1CC1 ZINC001575153165 952206503 /nfs/dbraw/zinc/20/65/03/952206503.db2.gz DHHYRKDVDDGAMG-IQUTYRLHSA-N -1 1 382.472 1.790 20 0 GDADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)[C@@H]1C[C@H]1C1CCC1)C1CC1 ZINC001575153165 952206507 /nfs/dbraw/zinc/20/65/07/952206507.db2.gz DHHYRKDVDDGAMG-IQUTYRLHSA-N -1 1 382.472 1.790 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001575153691 952211703 /nfs/dbraw/zinc/21/17/03/952211703.db2.gz JDUOSANPFXTFCT-KGYLQXTDSA-N -1 1 384.469 1.781 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001575153691 952211706 /nfs/dbraw/zinc/21/17/06/952211706.db2.gz JDUOSANPFXTFCT-KGYLQXTDSA-N -1 1 384.469 1.781 20 0 GDADMM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC001595168324 952213045 /nfs/dbraw/zinc/21/30/45/952213045.db2.gz DYZFNUXDAJCKFG-JTQLQIEISA-N -1 1 396.391 1.402 20 0 GDADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)c1ccc(Cl)o1)C1CC1 ZINC001575154307 952219685 /nfs/dbraw/zinc/21/96/85/952219685.db2.gz AVBQCSLPBHFRQY-INIZCTEOSA-N -1 1 388.819 1.914 20 0 GDADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)c1ccc(Cl)o1)C1CC1 ZINC001575154307 952219691 /nfs/dbraw/zinc/21/96/91/952219691.db2.gz AVBQCSLPBHFRQY-INIZCTEOSA-N -1 1 388.819 1.914 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)C1CC2(C1)CCOCC2 ZINC001575155731 952243581 /nfs/dbraw/zinc/24/35/81/952243581.db2.gz OZECMGJLXCXRIX-GFCCVEGCSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)C1CC2(C1)CCOCC2 ZINC001575155731 952243588 /nfs/dbraw/zinc/24/35/88/952243588.db2.gz OZECMGJLXCXRIX-GFCCVEGCSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)CC[C@H]1CCOC1)C1CC1 ZINC001575155909 952245246 /nfs/dbraw/zinc/24/52/46/952245246.db2.gz POMDKPHGWNSPEX-SGTLLEGYSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)CC[C@H]1CCOC1)C1CC1 ZINC001575155909 952245251 /nfs/dbraw/zinc/24/52/51/952245251.db2.gz POMDKPHGWNSPEX-SGTLLEGYSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)C1CCC(F)(F)CC1 ZINC001575156187 952249044 /nfs/dbraw/zinc/24/90/44/952249044.db2.gz DJHHSDCPJJTCNB-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)C1CCC(F)(F)CC1 ZINC001575156187 952249049 /nfs/dbraw/zinc/24/90/49/952249049.db2.gz DJHHSDCPJJTCNB-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)[C@H]1Cc2ccccc21)C1CC1 ZINC001575156211 952250562 /nfs/dbraw/zinc/25/05/62/952250562.db2.gz QVNRNORRAGUSHP-MGPUTAFESA-N -1 1 390.451 1.693 20 0 GDADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)[C@H]1Cc2ccccc21)C1CC1 ZINC001575156211 952250569 /nfs/dbraw/zinc/25/05/69/952250569.db2.gz QVNRNORRAGUSHP-MGPUTAFESA-N -1 1 390.451 1.693 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cc(Cl)cn1C ZINC001575156613 952254856 /nfs/dbraw/zinc/25/48/56/952254856.db2.gz GRLKYSKBBBHUCC-SECBINFHSA-N -1 1 375.824 1.221 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(Cl)cn1C ZINC001575156613 952254861 /nfs/dbraw/zinc/25/48/61/952254861.db2.gz GRLKYSKBBBHUCC-SECBINFHSA-N -1 1 375.824 1.221 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1coc(C(C)(C)C)n1 ZINC001575158030 952270527 /nfs/dbraw/zinc/27/05/27/952270527.db2.gz REAREYDYPRDXEM-SNVBAGLBSA-N -1 1 385.432 1.515 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1coc(C(C)(C)C)n1 ZINC001575158030 952270531 /nfs/dbraw/zinc/27/05/31/952270531.db2.gz REAREYDYPRDXEM-SNVBAGLBSA-N -1 1 385.432 1.515 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)Cc1ccc(F)cc1F ZINC001575159079 952276685 /nfs/dbraw/zinc/27/66/85/952276685.db2.gz YSFFTQFGFPILLQ-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)Cc1ccc(F)cc1F ZINC001575159079 952276690 /nfs/dbraw/zinc/27/66/90/952276690.db2.gz YSFFTQFGFPILLQ-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)c1cnns1 ZINC001575164586 952295394 /nfs/dbraw/zinc/29/53/94/952295394.db2.gz FXPBCQYJKXCKMA-RXMQYKEDSA-N -1 1 385.866 1.401 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)c1cnns1 ZINC001575164586 952295400 /nfs/dbraw/zinc/29/54/00/952295400.db2.gz FXPBCQYJKXCKMA-RXMQYKEDSA-N -1 1 385.866 1.401 20 0 GDADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)[C@@H]1CC1(F)F ZINC001575165914 952316550 /nfs/dbraw/zinc/31/65/50/952316550.db2.gz RCERQZURXLNUQG-WDSKDSINSA-N -1 1 377.808 1.891 20 0 GDADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)[C@H]1CCCOC1 ZINC001575166302 952324207 /nfs/dbraw/zinc/32/42/07/952324207.db2.gz VCAZTEFFDXGXCY-IUCAKERBSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)CCc1ccc(F)cc1 ZINC001575173832 952357122 /nfs/dbraw/zinc/35/71/22/952357122.db2.gz AXFNXQKBVLFBIS-GFCCVEGCSA-N -1 1 384.419 1.687 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)CCc1ccc(F)cc1 ZINC001575173832 952357125 /nfs/dbraw/zinc/35/71/25/952357125.db2.gz AXFNXQKBVLFBIS-GFCCVEGCSA-N -1 1 384.419 1.687 20 0 GDADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)c1occc1Cl)C1CC1 ZINC001575174008 952361852 /nfs/dbraw/zinc/36/18/52/952361852.db2.gz FJPPPGSCJNAEKP-INIZCTEOSA-N -1 1 388.819 1.914 20 0 GDADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)c1occc1Cl)C1CC1 ZINC001575174008 952361854 /nfs/dbraw/zinc/36/18/54/952361854.db2.gz FJPPPGSCJNAEKP-INIZCTEOSA-N -1 1 388.819 1.914 20 0 GDADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)c1cncc(F)c1)C1CC1 ZINC001575174761 952380573 /nfs/dbraw/zinc/38/05/73/952380573.db2.gz SGIBJRAELPLTKP-QGZVFWFLSA-N -1 1 383.391 1.201 20 0 GDADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)c1cncc(F)c1)C1CC1 ZINC001575174761 952380579 /nfs/dbraw/zinc/38/05/79/952380579.db2.gz SGIBJRAELPLTKP-QGZVFWFLSA-N -1 1 383.391 1.201 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@]1(C)CCc2ccccc21 ZINC001575174766 952380627 /nfs/dbraw/zinc/38/06/27/952380627.db2.gz SKTHMHGWBHUYEZ-XCLFUZPHSA-N -1 1 392.467 1.820 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@]1(C)CCc2ccccc21 ZINC001575174766 952380632 /nfs/dbraw/zinc/38/06/32/952380632.db2.gz SKTHMHGWBHUYEZ-XCLFUZPHSA-N -1 1 392.467 1.820 20 0 GDADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)[C@H]1CCCOCC1)C1CC1 ZINC001575175243 952383665 /nfs/dbraw/zinc/38/36/65/952383665.db2.gz WFNAKURYGKHCAN-SGTLLEGYSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)[C@H]1CCCOCC1)C1CC1 ZINC001575175243 952383674 /nfs/dbraw/zinc/38/36/74/952383674.db2.gz WFNAKURYGKHCAN-SGTLLEGYSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@](CO)(Cc1ccccc1F)NC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001575179557 952412983 /nfs/dbraw/zinc/41/29/83/952412983.db2.gz VYORSSPGLUKQFR-QGZVFWFLSA-N -1 1 390.444 1.860 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)c1ccnnc1 ZINC001575180900 952419628 /nfs/dbraw/zinc/41/96/28/952419628.db2.gz XKABWBZHEMQVJO-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)c1ccnnc1 ZINC001575180900 952419631 /nfs/dbraw/zinc/41/96/31/952419631.db2.gz XKABWBZHEMQVJO-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001575181166 952421335 /nfs/dbraw/zinc/42/13/35/952421335.db2.gz ZNRAFLXTXJRBKZ-KBPBESRZSA-N -1 1 380.456 1.794 20 0 GDADMM C[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001575181166 952421340 /nfs/dbraw/zinc/42/13/40/952421340.db2.gz ZNRAFLXTXJRBKZ-KBPBESRZSA-N -1 1 380.456 1.794 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)C[C@H]1CCOC1 ZINC001575180964 952421532 /nfs/dbraw/zinc/42/15/32/952421532.db2.gz YTRGQELMNNRHSQ-DTWKUNHWSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)C[C@H]1CCOC1 ZINC001575180964 952421538 /nfs/dbraw/zinc/42/15/38/952421538.db2.gz YTRGQELMNNRHSQ-DTWKUNHWSA-N -1 1 385.881 1.662 20 0 GDADMM CC(C)(C)OC(=O)NC1CCN(CCNC(=O)C2(CC(=O)[O-])CCC2)CC1 ZINC001602903442 971833405 /nfs/dbraw/zinc/83/34/05/971833405.db2.gz PCPYHWVCEZTFRZ-UHFFFAOYSA-N -1 1 383.489 1.737 20 0 GDADMM C[C@H](Cc1ccc(F)cc1)C(=O)N[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575190489 952462426 /nfs/dbraw/zinc/46/24/26/952462426.db2.gz SXRAWMGSRIJOJF-NEPJUHHUSA-N -1 1 384.419 1.013 20 0 GDADMM C[C@H](Cc1ccc(F)cc1)C(=O)N[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575190569 952463018 /nfs/dbraw/zinc/46/30/18/952463018.db2.gz UKMQBPUXWGZBJP-NEPJUHHUSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@H](Cc1ccc(F)cc1)C(=O)N[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575190569 952463024 /nfs/dbraw/zinc/46/30/24/952463024.db2.gz UKMQBPUXWGZBJP-NEPJUHHUSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@H](Cc1ccccc1Cl)C(=O)NCCNc1cncc(-c2nnn[n-]2)n1 ZINC001575191869 952469757 /nfs/dbraw/zinc/46/97/57/952469757.db2.gz ZASUBCQBIBTBEB-LLVKDONJSA-N -1 1 386.847 1.717 20 0 GDADMM C[C@H](Cc1ccccc1Cl)C(=O)NCCNc1cncc(-c2nn[n-]n2)n1 ZINC001575191869 952469759 /nfs/dbraw/zinc/46/97/59/952469759.db2.gz ZASUBCQBIBTBEB-LLVKDONJSA-N -1 1 386.847 1.717 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575196260 952475004 /nfs/dbraw/zinc/47/50/04/952475004.db2.gz GNUVWGGKRPXAIM-KZULUSFZSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575196260 952475010 /nfs/dbraw/zinc/47/50/10/952475010.db2.gz GNUVWGGKRPXAIM-KZULUSFZSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001575197228 952480714 /nfs/dbraw/zinc/48/07/14/952480714.db2.gz QMARBVRNMUTAGJ-STQMWFEESA-N -1 1 382.428 1.531 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001575197228 952480721 /nfs/dbraw/zinc/48/07/21/952480721.db2.gz QMARBVRNMUTAGJ-STQMWFEESA-N -1 1 382.428 1.531 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001575197261 952481771 /nfs/dbraw/zinc/48/17/71/952481771.db2.gz RGGCCBRDQDVHNU-RISCZKNCSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001575197261 952481775 /nfs/dbraw/zinc/48/17/75/952481775.db2.gz RGGCCBRDQDVHNU-RISCZKNCSA-N -1 1 382.428 1.435 20 0 GDADMM Cc1nsc(N2CCC(NC(=O)C3=COCCC3)CC2)c1-c1nn[n-]n1 ZINC001571117720 952484125 /nfs/dbraw/zinc/48/41/25/952484125.db2.gz PGAWOAPEXXZCGN-UHFFFAOYSA-N -1 1 375.458 1.411 20 0 GDADMM Cc1nsc(NC[C@@H]2CN(C(=O)[C@H]3CC34CC4)CCO2)c1-c1nn[n-]n1 ZINC001571118071 952485254 /nfs/dbraw/zinc/48/52/54/952485254.db2.gz UBONFMGITWUIQN-GHMZBOCLSA-N -1 1 375.458 1.071 20 0 GDADMM C=Cc1ccc(C(=O)N[C@H]2C[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001571119579 952492885 /nfs/dbraw/zinc/49/28/85/952492885.db2.gz CXAUIHQESXDXLD-CTYIDZIISA-N -1 1 376.424 1.920 20 0 GDADMM C=Cc1ccc(C(=O)N[C@H]2C[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571119579 952492891 /nfs/dbraw/zinc/49/28/91/952492891.db2.gz CXAUIHQESXDXLD-CTYIDZIISA-N -1 1 376.424 1.920 20 0 GDADMM CC(C)(C)OC(=O)NC1(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)CCCCC1 ZINC001571120721 952506754 /nfs/dbraw/zinc/50/67/54/952506754.db2.gz QBOXWLHTTJMIIM-UHFFFAOYSA-N -1 1 376.421 1.756 20 0 GDADMM CC(C)(C)OC(=O)NC1(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)CCCCC1 ZINC001571120721 952506760 /nfs/dbraw/zinc/50/67/60/952506760.db2.gz QBOXWLHTTJMIIM-UHFFFAOYSA-N -1 1 376.421 1.756 20 0 GDADMM O=C(NC[C@@H]1Cc2ccccc2CN1c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001571121297 952519408 /nfs/dbraw/zinc/51/94/08/952519408.db2.gz XXQCOIKIKLGVTI-HNNXBMFYSA-N -1 1 376.424 1.114 20 0 GDADMM O=C(NC[C@@H]1Cc2ccccc2CN1c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001571121297 952519412 /nfs/dbraw/zinc/51/94/12/952519412.db2.gz XXQCOIKIKLGVTI-HNNXBMFYSA-N -1 1 376.424 1.114 20 0 GDADMM Cc1cc(C)cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nnn[n-]3)nn2)c1 ZINC001571121382 952520763 /nfs/dbraw/zinc/52/07/63/952520763.db2.gz ZYEULYDGFFJLFL-GJZGRUSLSA-N -1 1 376.424 1.377 20 0 GDADMM Cc1cc(C)cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nn[n-]n3)nn2)c1 ZINC001571121382 952520774 /nfs/dbraw/zinc/52/07/74/952520774.db2.gz ZYEULYDGFFJLFL-GJZGRUSLSA-N -1 1 376.424 1.377 20 0 GDADMM CC[C@H](SC)C(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571121732 952521790 /nfs/dbraw/zinc/52/17/90/952521790.db2.gz CIOPGRPIBDPMMA-RYUDHWBXSA-N -1 1 376.490 1.013 20 0 GDADMM O=C(c1cccc2c1CCC2)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571123102 952527863 /nfs/dbraw/zinc/52/78/63/952527863.db2.gz OVPVRESQYOVBCY-ZDUSSCGKSA-N -1 1 376.424 1.472 20 0 GDADMM O=C(c1cccc2c1CCC2)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571123102 952527868 /nfs/dbraw/zinc/52/78/68/952527868.db2.gz OVPVRESQYOVBCY-ZDUSSCGKSA-N -1 1 376.424 1.472 20 0 GDADMM CCc1nc(NC[C@H]2CCCN(C(=O)[C@@H](F)CC)C2)cc(-c2nnn[n-]2)n1 ZINC001571123684 952530137 /nfs/dbraw/zinc/53/01/37/952530137.db2.gz UEZRTJFDDFMJHG-NEPJUHHUSA-N -1 1 376.440 1.618 20 0 GDADMM CCc1nc(NC[C@H]2CCCN(C(=O)[C@@H](F)CC)C2)cc(-c2nn[n-]n2)n1 ZINC001571123684 952530139 /nfs/dbraw/zinc/53/01/39/952530139.db2.gz UEZRTJFDDFMJHG-NEPJUHHUSA-N -1 1 376.440 1.618 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N(C)[C@H]2CCCN(C(=O)[C@@H](F)CC)C2)n1 ZINC001571124051 952533933 /nfs/dbraw/zinc/53/39/33/952533933.db2.gz YBCHTTHEAKAIOT-RYUDHWBXSA-N -1 1 376.440 1.394 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N(C)[C@H]2CCCN(C(=O)[C@@H](F)CC)C2)n1 ZINC001571124051 952533935 /nfs/dbraw/zinc/53/39/35/952533935.db2.gz YBCHTTHEAKAIOT-RYUDHWBXSA-N -1 1 376.440 1.394 20 0 GDADMM Cc1nsc(NC[C@@H]2CCN(C(=O)C[C@@H]3CCCO3)C2)c1-c1nn[n-]n1 ZINC001571127813 952560827 /nfs/dbraw/zinc/56/08/27/952560827.db2.gz KGHIEMKDTUSMCX-RYUDHWBXSA-N -1 1 377.474 1.461 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575214527 952564914 /nfs/dbraw/zinc/56/49/14/952564914.db2.gz LXDMFPHKTKVXCL-UHFFFAOYSA-N -1 1 380.403 1.423 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575214527 952564917 /nfs/dbraw/zinc/56/49/17/952564917.db2.gz LXDMFPHKTKVXCL-UHFFFAOYSA-N -1 1 380.403 1.423 20 0 GDADMM Cc1nsc(NC[C@@H]2CCCN2C(=O)C[C@H]2CCOC2)c1-c1nn[n-]n1 ZINC001571128391 952566366 /nfs/dbraw/zinc/56/63/66/952566366.db2.gz SFFJMCHJJYUZLW-NEPJUHHUSA-N -1 1 377.474 1.461 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@@H](Nc2nccnc2-c2nnn[n-]2)C2CC2)CC1 ZINC001575221643 952570949 /nfs/dbraw/zinc/57/09/49/952570949.db2.gz AKAHLWUDUKPKJH-SNVBAGLBSA-N -1 1 378.387 1.399 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@@H](Nc2nccnc2-c2nn[n-]n2)C2CC2)CC1 ZINC001575221643 952570952 /nfs/dbraw/zinc/57/09/52/952570952.db2.gz AKAHLWUDUKPKJH-SNVBAGLBSA-N -1 1 378.387 1.399 20 0 GDADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC001571130146 952578327 /nfs/dbraw/zinc/57/83/27/952578327.db2.gz OUKKZKHVOTUWTF-KBPBESRZSA-N -1 1 378.392 1.453 20 0 GDADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC001571130146 952578331 /nfs/dbraw/zinc/57/83/31/952578331.db2.gz OUKKZKHVOTUWTF-KBPBESRZSA-N -1 1 378.392 1.453 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC(F)(F)C2)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571130173 952579039 /nfs/dbraw/zinc/57/90/39/952579039.db2.gz PDJDQGIVWHBHFG-MXWKQRLJSA-N -1 1 378.387 1.176 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC(F)(F)C2)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571130173 952579043 /nfs/dbraw/zinc/57/90/43/952579043.db2.gz PDJDQGIVWHBHFG-MXWKQRLJSA-N -1 1 378.387 1.176 20 0 GDADMM CN(C(=O)[C@@H]1CCC(F)(F)C1)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571130703 952581996 /nfs/dbraw/zinc/58/19/96/952581996.db2.gz UTQWEJVFJVTPPP-MNOVXSKESA-N -1 1 378.387 1.129 20 0 GDADMM CN(C(=O)[C@@H]1CCC(F)(F)C1)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571130703 952581998 /nfs/dbraw/zinc/58/19/98/952581998.db2.gz UTQWEJVFJVTPPP-MNOVXSKESA-N -1 1 378.387 1.129 20 0 GDADMM Cc1cccc(C(=O)NC[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)c1C ZINC001571134091 952584458 /nfs/dbraw/zinc/58/44/58/952584458.db2.gz DLMJVYJUMKPSJZ-AWEZNQCLSA-N -1 1 378.440 1.530 20 0 GDADMM Cc1cccc(C(=O)NC[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)c1C ZINC001571134091 952584461 /nfs/dbraw/zinc/58/44/61/952584461.db2.gz DLMJVYJUMKPSJZ-AWEZNQCLSA-N -1 1 378.440 1.530 20 0 GDADMM CCN(C(=O)c1cccc(C)c1)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571134436 952590884 /nfs/dbraw/zinc/59/08/84/952590884.db2.gz GGRKLVLXTGOEFO-HNNXBMFYSA-N -1 1 378.440 1.706 20 0 GDADMM CCN(C(=O)c1cccc(C)c1)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571134436 952590888 /nfs/dbraw/zinc/59/08/88/952590888.db2.gz GGRKLVLXTGOEFO-HNNXBMFYSA-N -1 1 378.440 1.706 20 0 GDADMM CN(C[C@@H]1CCCN1C(=O)Cc1ccccc1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571134656 952594422 /nfs/dbraw/zinc/59/44/22/952594422.db2.gz JLCJXSUTVPBVMU-HNNXBMFYSA-N -1 1 378.440 1.327 20 0 GDADMM CN(C[C@@H]1CCCN1C(=O)Cc1ccccc1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571134656 952594424 /nfs/dbraw/zinc/59/44/24/952594424.db2.gz JLCJXSUTVPBVMU-HNNXBMFYSA-N -1 1 378.440 1.327 20 0 GDADMM CCCc1ccc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571135194 952600447 /nfs/dbraw/zinc/60/04/47/952600447.db2.gz QWPYRFCNGYIZNU-OAHLLOKOSA-N -1 1 378.440 1.358 20 0 GDADMM Cc1ccc(C(=O)NC[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001571135242 952601859 /nfs/dbraw/zinc/60/18/59/952601859.db2.gz UKYROCPTUUZGCW-AWEZNQCLSA-N -1 1 378.440 1.612 20 0 GDADMM Cc1ccc(C(=O)NC[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571135242 952601862 /nfs/dbraw/zinc/60/18/62/952601862.db2.gz UKYROCPTUUZGCW-AWEZNQCLSA-N -1 1 378.440 1.612 20 0 GDADMM Cc1cccc(C(=O)N[C@H]2CC[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571135500 952604929 /nfs/dbraw/zinc/60/49/29/952604929.db2.gz ZEFJMWYRZFWXAD-HIFRSBDPSA-N -1 1 378.440 1.976 20 0 GDADMM Cc1cccc(C(=O)N[C@H]2CC[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571135500 952604933 /nfs/dbraw/zinc/60/49/33/952604933.db2.gz ZEFJMWYRZFWXAD-HIFRSBDPSA-N -1 1 378.440 1.976 20 0 GDADMM CC(C)c1ccccc1C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571135582 952605580 /nfs/dbraw/zinc/60/55/80/952605580.db2.gz XUNCZZJGPPRGBT-CYBMUJFWSA-N -1 1 378.440 1.789 20 0 GDADMM CC(C)c1ccccc1C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571135582 952605582 /nfs/dbraw/zinc/60/55/82/952605582.db2.gz XUNCZZJGPPRGBT-CYBMUJFWSA-N -1 1 378.440 1.789 20 0 GDADMM Cc1cc(F)cc(-c2nn[n-]n2)c1S(=O)(=O)NCc1nc(C2CC2)no1 ZINC001571140314 952624418 /nfs/dbraw/zinc/62/44/18/952624418.db2.gz PQOHJUMEDLRXFY-UHFFFAOYSA-N -1 1 379.377 1.053 20 0 GDADMM Cn1ccc(C(=O)N2CCN(c3snc(Cl)c3-c3nnn[n-]3)CC2)c1 ZINC001571140508 952627097 /nfs/dbraw/zinc/62/70/97/952627097.db2.gz BORQVRLNIYCGOW-UHFFFAOYSA-N -1 1 378.849 1.278 20 0 GDADMM Cn1ccc(C(=O)N2CCN(c3snc(Cl)c3-c3nn[n-]n3)CC2)c1 ZINC001571140508 952627099 /nfs/dbraw/zinc/62/70/99/952627099.db2.gz BORQVRLNIYCGOW-UHFFFAOYSA-N -1 1 378.849 1.278 20 0 GDADMM COC(=O)c1cccc(S(=O)(=O)NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC001571140717 952627770 /nfs/dbraw/zinc/62/77/70/952627770.db2.gz FEQQILQGSWWLCQ-UHFFFAOYSA-N -1 1 379.423 1.193 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@]3(CCN(C(=O)c4cc[nH]c4)C3)C2)n1 ZINC001571147387 952660505 /nfs/dbraw/zinc/66/05/05/952660505.db2.gz LTLQTXACODVMAI-SFHVURJKSA-N -1 1 379.428 1.036 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@]3(CCN(C(=O)c4cc[nH]c4)C3)C2)n1 ZINC001571147387 952660506 /nfs/dbraw/zinc/66/05/06/952660506.db2.gz LTLQTXACODVMAI-SFHVURJKSA-N -1 1 379.428 1.036 20 0 GDADMM CCc1ccnc(C(=O)N2CCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001571147783 952663452 /nfs/dbraw/zinc/66/34/52/952663452.db2.gz QDTRSDZOXOARBG-CYBMUJFWSA-N -1 1 379.428 1.331 20 0 GDADMM CCc1ccnc(C(=O)N2CCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001571147783 952663454 /nfs/dbraw/zinc/66/34/54/952663454.db2.gz QDTRSDZOXOARBG-CYBMUJFWSA-N -1 1 379.428 1.331 20 0 GDADMM Cc1c[nH]cc1C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001571147871 952664554 /nfs/dbraw/zinc/66/45/54/952664554.db2.gz RJXVDUYFHPMSMV-YHWZYXNKSA-N -1 1 379.428 1.223 20 0 GDADMM Cc1c[nH]cc1C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001571147871 952664555 /nfs/dbraw/zinc/66/45/55/952664555.db2.gz RJXVDUYFHPMSMV-YHWZYXNKSA-N -1 1 379.428 1.223 20 0 GDADMM Cc1c[nH]nc1C(=O)N[C@@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571152051 952681454 /nfs/dbraw/zinc/68/14/54/952681454.db2.gz BTTQNDRWULZOQY-SSDOTTSWSA-N -1 1 379.837 1.017 20 0 GDADMM Cc1c[nH]nc1C(=O)N[C@@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571152051 952681459 /nfs/dbraw/zinc/68/14/59/952681459.db2.gz BTTQNDRWULZOQY-SSDOTTSWSA-N -1 1 379.837 1.017 20 0 GDADMM O=C(N[C@@H]1CCCN(c2snc(Cl)c2-c2nnn[n-]2)C1)c1ccoc1 ZINC001571153383 952685987 /nfs/dbraw/zinc/68/59/87/952685987.db2.gz QGDYVAACRAKDNE-SECBINFHSA-N -1 1 379.833 1.968 20 0 GDADMM O=C(N[C@@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)C1)c1ccoc1 ZINC001571153383 952685988 /nfs/dbraw/zinc/68/59/88/952685988.db2.gz QGDYVAACRAKDNE-SECBINFHSA-N -1 1 379.833 1.968 20 0 GDADMM O=C(C1CC1)N1CC[C@H]2CC[C@@H](C1)N2c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001571153935 952688250 /nfs/dbraw/zinc/68/82/50/952688250.db2.gz WHFUHJMHZIFAPQ-ZJUUUORDSA-N -1 1 379.877 1.956 20 0 GDADMM O=C(C1CC1)N1CC[C@H]2CC[C@@H](C1)N2c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001571153935 952688254 /nfs/dbraw/zinc/68/82/54/952688254.db2.gz WHFUHJMHZIFAPQ-ZJUUUORDSA-N -1 1 379.877 1.956 20 0 GDADMM COc1ncc(NC(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)cc1-c1nn[n-]n1 ZINC001571154733 952689256 /nfs/dbraw/zinc/68/92/56/952689256.db2.gz AKTDMGKXSWDOFD-ZBFHGGJFSA-N -1 1 380.408 1.999 20 0 GDADMM CN(c1nccnc1-c1nnn[n-]1)[C@@H]1CCCN(C(=O)C(C)(C)C(F)F)C1 ZINC001571155259 952694667 /nfs/dbraw/zinc/69/46/67/952694667.db2.gz LZBKIXKLAUJWPY-SNVBAGLBSA-N -1 1 380.403 1.375 20 0 GDADMM CN(c1nccnc1-c1nn[n-]n1)[C@@H]1CCCN(C(=O)C(C)(C)C(F)F)C1 ZINC001571155259 952694669 /nfs/dbraw/zinc/69/46/69/952694669.db2.gz LZBKIXKLAUJWPY-SNVBAGLBSA-N -1 1 380.403 1.375 20 0 GDADMM CC1(C)CN(C(=O)c2ccccc2O)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571155245 952694899 /nfs/dbraw/zinc/69/48/99/952694899.db2.gz LOCMQTWCKYSIQP-CYBMUJFWSA-N -1 1 380.412 1.325 20 0 GDADMM CC1(C)CN(C(=O)c2ccccc2O)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571155245 952694903 /nfs/dbraw/zinc/69/49/03/952694903.db2.gz LOCMQTWCKYSIQP-CYBMUJFWSA-N -1 1 380.412 1.325 20 0 GDADMM CN(C(=O)c1occ2c1CCC2)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571155712 952698789 /nfs/dbraw/zinc/69/87/89/952698789.db2.gz YEUAWFZIMWEXOD-LBPRGKRZSA-N -1 1 380.412 1.089 20 0 GDADMM CN(C(=O)c1occ2c1CCC2)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571155712 952698792 /nfs/dbraw/zinc/69/87/92/952698792.db2.gz YEUAWFZIMWEXOD-LBPRGKRZSA-N -1 1 380.412 1.089 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571155729 952700253 /nfs/dbraw/zinc/70/02/53/952700253.db2.gz YNNPKQDNEYRVOE-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571155729 952700256 /nfs/dbraw/zinc/70/02/56/952700256.db2.gz YNNPKQDNEYRVOE-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM Cc1cncc(CC(=O)N2CCC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571156683 952703207 /nfs/dbraw/zinc/70/32/07/952703207.db2.gz HAMZUVFAYWQZDA-CQSZACIVSA-N -1 1 379.428 1.006 20 0 GDADMM Cc1cncc(CC(=O)N2CCC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571156683 952703211 /nfs/dbraw/zinc/70/32/11/952703211.db2.gz HAMZUVFAYWQZDA-CQSZACIVSA-N -1 1 379.428 1.006 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CN(C(=O)c3ncccc3C)C[C@H]2C)n1 ZINC001571156649 952703805 /nfs/dbraw/zinc/70/38/05/952703805.db2.gz GDDYASRWUJTWMD-BXUZGUMPSA-N -1 1 379.428 1.241 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CN(C(=O)c3ncccc3C)C[C@H]2C)n1 ZINC001571156649 952703811 /nfs/dbraw/zinc/70/38/11/952703811.db2.gz GDDYASRWUJTWMD-BXUZGUMPSA-N -1 1 379.428 1.241 20 0 GDADMM Cc1cnccc1C(=O)N1CCCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571156807 952705110 /nfs/dbraw/zinc/70/51/10/952705110.db2.gz KINBIQIRTBBLMD-CYBMUJFWSA-N -1 1 379.428 1.467 20 0 GDADMM Cc1cnccc1C(=O)N1CCCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571156807 952705120 /nfs/dbraw/zinc/70/51/20/952705120.db2.gz KINBIQIRTBBLMD-CYBMUJFWSA-N -1 1 379.428 1.467 20 0 GDADMM Cc1ccncc1C(=O)NC[C@H]1CCCCN1c1nccnc1-c1nnn[n-]1 ZINC001571157071 952706030 /nfs/dbraw/zinc/70/60/30/952706030.db2.gz MACLYIPCPAJRQU-CYBMUJFWSA-N -1 1 379.428 1.149 20 0 GDADMM Cc1ccncc1C(=O)NC[C@H]1CCCCN1c1nccnc1-c1nn[n-]n1 ZINC001571157071 952706035 /nfs/dbraw/zinc/70/60/35/952706035.db2.gz MACLYIPCPAJRQU-CYBMUJFWSA-N -1 1 379.428 1.149 20 0 GDADMM Cc1cnccc1C(=O)N1CCC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571157130 952706996 /nfs/dbraw/zinc/70/69/96/952706996.db2.gz MVODRZXBCAKYPO-ZDUSSCGKSA-N -1 1 379.428 1.324 20 0 GDADMM Cc1cnccc1C(=O)N1CCC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571157130 952707000 /nfs/dbraw/zinc/70/70/00/952707000.db2.gz MVODRZXBCAKYPO-ZDUSSCGKSA-N -1 1 379.428 1.324 20 0 GDADMM Cc1cccc(C(=O)N2CCC[C@@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)n1 ZINC001571158127 952709925 /nfs/dbraw/zinc/70/99/25/952709925.db2.gz RRBHJIVOCPBXMZ-CYBMUJFWSA-N -1 1 379.428 1.385 20 0 GDADMM Cc1cccc(C(=O)N2CCC[C@@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)n1 ZINC001571158127 952709931 /nfs/dbraw/zinc/70/99/31/952709931.db2.gz RRBHJIVOCPBXMZ-CYBMUJFWSA-N -1 1 379.428 1.385 20 0 GDADMM Cc1cnc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H]2C)cc1C ZINC001571158885 952714245 /nfs/dbraw/zinc/71/42/45/952714245.db2.gz SYQZYJLDTPMNKM-STQMWFEESA-N -1 1 379.428 1.384 20 0 GDADMM Cc1cnc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H]2C)cc1C ZINC001571158885 952714253 /nfs/dbraw/zinc/71/42/53/952714253.db2.gz SYQZYJLDTPMNKM-STQMWFEESA-N -1 1 379.428 1.384 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nnn[n-]3)nn2)c(C)[nH]1 ZINC001571158851 952714307 /nfs/dbraw/zinc/71/43/07/952714307.db2.gz SMQJRQJJDFPPIO-DFBGVHRSSA-N -1 1 379.428 1.141 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nn2)c(C)[nH]1 ZINC001571158851 952714313 /nfs/dbraw/zinc/71/43/13/952714313.db2.gz SMQJRQJJDFPPIO-DFBGVHRSSA-N -1 1 379.428 1.141 20 0 GDADMM Cc1ccc(N2C[C@H](C(=O)Nc3c[nH]nc3-c3nn[n-]n3)CCC2=O)cc1C ZINC001571159309 952718515 /nfs/dbraw/zinc/71/85/15/952718515.db2.gz UGEHBYJVLAKBQW-GFCCVEGCSA-N -1 1 380.412 1.588 20 0 GDADMM Cc1cncc(C(=O)N2C[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)[C@H](C)C2)c1 ZINC001571159615 952720676 /nfs/dbraw/zinc/72/06/76/952720676.db2.gz VAZGJBZVDBAYSO-TZMCWYRMSA-N -1 1 379.428 1.180 20 0 GDADMM Cc1cncc(C(=O)N2C[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)[C@H](C)C2)c1 ZINC001571159615 952720678 /nfs/dbraw/zinc/72/06/78/952720678.db2.gz VAZGJBZVDBAYSO-TZMCWYRMSA-N -1 1 379.428 1.180 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)cc(C)n1 ZINC001571159731 952721635 /nfs/dbraw/zinc/72/16/35/952721635.db2.gz WCUNGJXLNOFPBS-CYBMUJFWSA-N -1 1 379.428 1.243 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)cc(C)n1 ZINC001571159731 952721639 /nfs/dbraw/zinc/72/16/39/952721639.db2.gz WCUNGJXLNOFPBS-CYBMUJFWSA-N -1 1 379.428 1.243 20 0 GDADMM Cc1cocc1C(=O)N1CC[C@@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001571160031 952723149 /nfs/dbraw/zinc/72/31/49/952723149.db2.gz BJHUYIXRUREAEJ-GOSISDBHSA-N -1 1 380.412 1.301 20 0 GDADMM Cc1cocc1C(=O)N1CC[C@@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001571160031 952723153 /nfs/dbraw/zinc/72/31/53/952723153.db2.gz BJHUYIXRUREAEJ-GOSISDBHSA-N -1 1 380.412 1.301 20 0 GDADMM COc1nscc1S(=O)(=O)[N-]C(C)(C)c1cccc(-c2nn[nH]n2)c1 ZINC001571166863 952766630 /nfs/dbraw/zinc/76/66/30/952766630.db2.gz QQXCAILTGKDJQK-UHFFFAOYSA-N -1 1 380.455 1.545 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@]3(NC(=O)[C@H]4CC45CC5)CCC[C@H]23)n1 ZINC001571169845 952779097 /nfs/dbraw/zinc/77/90/97/952779097.db2.gz PDLVMYWFFZPKJK-SPKLELGKSA-N -1 1 380.456 1.383 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@]3(NC(=O)[C@H]4CC45CC5)CCC[C@H]23)n1 ZINC001571169845 952779101 /nfs/dbraw/zinc/77/91/01/952779101.db2.gz PDLVMYWFFZPKJK-SPKLELGKSA-N -1 1 380.456 1.383 20 0 GDADMM Cc1ocnc1C(=O)N[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571171919 952798915 /nfs/dbraw/zinc/79/89/15/952798915.db2.gz IKVOJYTZSJCBFH-SSDOTTSWSA-N -1 1 380.821 1.282 20 0 GDADMM Cc1ocnc1C(=O)N[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571171919 952798917 /nfs/dbraw/zinc/79/89/17/952798917.db2.gz IKVOJYTZSJCBFH-SSDOTTSWSA-N -1 1 380.821 1.282 20 0 GDADMM O=C([C@@H]1C[C@H]1C1CCC1)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001571171958 952799129 /nfs/dbraw/zinc/79/91/29/952799129.db2.gz JYDXMAMLDYAGEJ-TTZDDIAXSA-N -1 1 380.456 1.130 20 0 GDADMM O=C([C@@H]1C[C@H]1C1CCC1)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001571171958 952799131 /nfs/dbraw/zinc/79/91/31/952799131.db2.gz JYDXMAMLDYAGEJ-TTZDDIAXSA-N -1 1 380.456 1.130 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC2CC3(CC(NC(=O)c4cnco4)C3)C2)n1 ZINC001571174603 952811219 /nfs/dbraw/zinc/81/12/19/952811219.db2.gz BOSSHLOHCYHIDB-UHFFFAOYSA-N -1 1 381.400 1.106 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC2CC3(CC(NC(=O)c4cnco4)C3)C2)n1 ZINC001571174603 952811227 /nfs/dbraw/zinc/81/12/27/952811227.db2.gz BOSSHLOHCYHIDB-UHFFFAOYSA-N -1 1 381.400 1.106 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1cncc(-c2nnn[n-]2)n1)n1cccc1 ZINC001571180553 952859833 /nfs/dbraw/zinc/85/98/33/952859833.db2.gz QSEGCLXVSVHKSN-BFHYXJOUSA-N -1 1 381.444 1.559 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1cncc(-c2nn[n-]n2)n1)n1cccc1 ZINC001571180553 952859836 /nfs/dbraw/zinc/85/98/36/952859836.db2.gz QSEGCLXVSVHKSN-BFHYXJOUSA-N -1 1 381.444 1.559 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)c3cc[nH]c3)C[C@@H]2C)n1 ZINC001571183652 952881160 /nfs/dbraw/zinc/88/11/60/952881160.db2.gz GZDUQPXGIUFAHY-AAEUAGOBSA-N -1 1 381.444 1.335 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)c3cc[nH]c3)C[C@@H]2C)n1 ZINC001571183652 952881163 /nfs/dbraw/zinc/88/11/63/952881163.db2.gz GZDUQPXGIUFAHY-AAEUAGOBSA-N -1 1 381.444 1.335 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N(C)[C@@H]2CCCN(C(=O)c3ccc[nH]3)C2)n1 ZINC001571183819 952883666 /nfs/dbraw/zinc/88/36/66/952883666.db2.gz KEPKXGRADOWJFK-GFCCVEGCSA-N -1 1 381.444 1.288 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N(C)[C@@H]2CCCN(C(=O)c3ccc[nH]3)C2)n1 ZINC001571183819 952883670 /nfs/dbraw/zinc/88/36/70/952883670.db2.gz KEPKXGRADOWJFK-GFCCVEGCSA-N -1 1 381.444 1.288 20 0 GDADMM C[C@@H](NC(=O)c1ccn(C)c1)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571184240 952890555 /nfs/dbraw/zinc/89/05/55/952890555.db2.gz UOTCFBUAQLEIEN-CHWSQXEVSA-N -1 1 381.444 1.030 20 0 GDADMM CCn1ccc(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1C ZINC001571184805 952897024 /nfs/dbraw/zinc/89/70/24/952897024.db2.gz DEHCBMBWKZGXCD-CYBMUJFWSA-N -1 1 381.444 1.185 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)[C@@H]2CCCN(C(=O)c3cc[nH]c3)C2)n1 ZINC001571185131 952899915 /nfs/dbraw/zinc/89/99/15/952899915.db2.gz IUJINWPGDZLDPM-TZMCWYRMSA-N -1 1 381.444 1.646 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)[C@@H]2CCCN(C(=O)c3cc[nH]c3)C2)n1 ZINC001571185131 952899920 /nfs/dbraw/zinc/89/99/20/952899920.db2.gz IUJINWPGDZLDPM-TZMCWYRMSA-N -1 1 381.444 1.646 20 0 GDADMM CCn1ccc(C(=O)N[C@]2(C)CCN(c3cncc(-c4nnn[n-]4)n3)C2)c1C ZINC001571186338 952906727 /nfs/dbraw/zinc/90/67/27/952906727.db2.gz WWQWSUFAUSTCNC-GOSISDBHSA-N -1 1 381.444 1.185 20 0 GDADMM CCn1ccc(C(=O)N[C@]2(C)CCN(c3cncc(-c4nn[n-]n4)n3)C2)c1C ZINC001571186338 952906730 /nfs/dbraw/zinc/90/67/30/952906730.db2.gz WWQWSUFAUSTCNC-GOSISDBHSA-N -1 1 381.444 1.185 20 0 GDADMM Cc1ccn(C)c1C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC001571188326 952913736 /nfs/dbraw/zinc/91/37/36/952913736.db2.gz IOFBSLCRMMSQBK-CHWSQXEVSA-N -1 1 381.444 1.091 20 0 GDADMM Cc1ccn(C)c1C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C ZINC001571188326 952913738 /nfs/dbraw/zinc/91/37/38/952913738.db2.gz IOFBSLCRMMSQBK-CHWSQXEVSA-N -1 1 381.444 1.091 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@H]2CN(c3nccnc3-c3nnn[n-]3)CC2(C)C)[nH]1 ZINC001571188870 952921664 /nfs/dbraw/zinc/92/16/64/952921664.db2.gz OMBSHWIKXBTRMG-LBPRGKRZSA-N -1 1 381.444 1.246 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@H]2CN(c3nccnc3-c3nn[n-]n3)CC2(C)C)[nH]1 ZINC001571188870 952921669 /nfs/dbraw/zinc/92/16/69/952921669.db2.gz OMBSHWIKXBTRMG-LBPRGKRZSA-N -1 1 381.444 1.246 20 0 GDADMM Cc1ccn(C)c1C(=O)N[C@@H]1CC[C@H](C)N(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571189051 952923797 /nfs/dbraw/zinc/92/37/97/952923797.db2.gz QXZPDYDRJWSVBO-QWHCGFSZSA-N -1 1 381.444 1.091 20 0 GDADMM Cn1ccc(C(=O)N[C@H]2CCCC[C@H]2CNc2nccnc2-c2nnn[n-]2)c1 ZINC001571189696 952933050 /nfs/dbraw/zinc/93/30/50/952933050.db2.gz RUQLDMVXTMKZRR-JSGCOSHPSA-N -1 1 381.444 1.396 20 0 GDADMM Cn1ccc(C(=O)N[C@H]2CCCC[C@H]2CNc2nccnc2-c2nn[n-]n2)c1 ZINC001571189696 952933054 /nfs/dbraw/zinc/93/30/54/952933054.db2.gz RUQLDMVXTMKZRR-JSGCOSHPSA-N -1 1 381.444 1.396 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)Nc2cn(C)nc2C(F)F)cc1-c1nn[n-]n1 ZINC001571194484 952963762 /nfs/dbraw/zinc/96/37/62/952963762.db2.gz NVLULDRGLIHGEK-UHFFFAOYSA-N -1 1 382.356 1.613 20 0 GDADMM C[C@@H](C(=O)Nc1ccc([C@H](O)C(F)(F)F)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001571194519 952964628 /nfs/dbraw/zinc/96/46/28/952964628.db2.gz OHUOMFKTAUBRFR-XVKPBYJWSA-N -1 1 382.306 1.254 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2ccccc2F)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571195496 952976025 /nfs/dbraw/zinc/97/60/25/952976025.db2.gz ARJTURHMVQSNHT-BXUZGUMPSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2ccccc2F)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571195496 952976028 /nfs/dbraw/zinc/97/60/28/952976028.db2.gz ARJTURHMVQSNHT-BXUZGUMPSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@H]1C[C@@H]1C(=O)NCc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1F ZINC001571195786 952978792 /nfs/dbraw/zinc/97/87/92/952978792.db2.gz FZKZPRVZAQOXRR-GWCFXTLKSA-N -1 1 382.403 1.680 20 0 GDADMM C[C@H]1C[C@@H]1C(=O)NCc1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cc1F ZINC001571195786 952978794 /nfs/dbraw/zinc/97/87/94/952978794.db2.gz FZKZPRVZAQOXRR-GWCFXTLKSA-N -1 1 382.403 1.680 20 0 GDADMM Cc1ccc(F)cc1C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571196104 952980805 /nfs/dbraw/zinc/98/08/05/952980805.db2.gz HKAKMOGSZNYODN-CYBMUJFWSA-N -1 1 382.403 1.503 20 0 GDADMM Cc1ccc(F)cc1C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571196104 952980811 /nfs/dbraw/zinc/98/08/11/952980811.db2.gz HKAKMOGSZNYODN-CYBMUJFWSA-N -1 1 382.403 1.503 20 0 GDADMM Cc1ccc(C(=O)N2CCCN(c3nccnc3-c3nnn[n-]3)CC2)c(F)c1 ZINC001571196769 952985003 /nfs/dbraw/zinc/98/50/03/952985003.db2.gz NSHXFPREZSAZAS-UHFFFAOYSA-N -1 1 382.403 1.457 20 0 GDADMM Cc1ccc(C(=O)N2CCCN(c3nccnc3-c3nn[n-]n3)CC2)c(F)c1 ZINC001571196769 952985006 /nfs/dbraw/zinc/98/50/06/952985006.db2.gz NSHXFPREZSAZAS-UHFFFAOYSA-N -1 1 382.403 1.457 20 0 GDADMM Cc1ccc(F)cc1C(=O)N1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571196972 952986079 /nfs/dbraw/zinc/98/60/79/952986079.db2.gz QYSXRSJRTITHQH-GFCCVEGCSA-N -1 1 382.403 1.678 20 0 GDADMM Cc1ccc(F)cc1C(=O)N1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571196972 952986082 /nfs/dbraw/zinc/98/60/82/952986082.db2.gz QYSXRSJRTITHQH-GFCCVEGCSA-N -1 1 382.403 1.678 20 0 GDADMM Cc1cccc(F)c1C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571197408 952989337 /nfs/dbraw/zinc/98/93/37/952989337.db2.gz ZJJRUMFPLFEROW-LBPRGKRZSA-N -1 1 382.403 1.361 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c(F)c1 ZINC001571197385 952989990 /nfs/dbraw/zinc/98/99/90/952989990.db2.gz YQHUXHVAGNXZKI-GFCCVEGCSA-N -1 1 382.403 1.821 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c(F)c1 ZINC001571197385 952989994 /nfs/dbraw/zinc/98/99/94/952989994.db2.gz YQHUXHVAGNXZKI-GFCCVEGCSA-N -1 1 382.403 1.821 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](NC(=O)Cc3occc3C)C2)n1 ZINC001571198996 952995117 /nfs/dbraw/zinc/99/51/17/952995117.db2.gz JUFXZSZXDPIPSN-GFCCVEGCSA-N -1 1 382.428 1.058 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](NC(=O)Cc3occc3C)C2)n1 ZINC001571198996 952995123 /nfs/dbraw/zinc/99/51/23/952995123.db2.gz JUFXZSZXDPIPSN-GFCCVEGCSA-N -1 1 382.428 1.058 20 0 GDADMM CN(c1nccnc1-c1nnn[n-]1)[C@H]1CCCN(C(=O)CCc2ccco2)C1 ZINC001571199154 952996102 /nfs/dbraw/zinc/99/61/02/952996102.db2.gz MOTQQBFLXGFUBR-ZDUSSCGKSA-N -1 1 382.428 1.310 20 0 GDADMM CN(c1nccnc1-c1nn[n-]n1)[C@H]1CCCN(C(=O)CCc2ccco2)C1 ZINC001571199154 952996110 /nfs/dbraw/zinc/99/61/10/952996110.db2.gz MOTQQBFLXGFUBR-ZDUSSCGKSA-N -1 1 382.428 1.310 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H]1CCCn2nccc21 ZINC001571199528 953000208 /nfs/dbraw/zinc/00/02/08/953000208.db2.gz UMQICCHCTRCVBK-ZDUSSCGKSA-N -1 1 382.428 1.365 20 0 GDADMM O=C(NC[C@H]1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cccc(F)c1 ZINC001571199721 953004121 /nfs/dbraw/zinc/00/41/21/953004121.db2.gz ABUMSLUSUQNONP-SMDDNHRTSA-N -1 1 382.403 1.806 20 0 GDADMM O=C(NC[C@H]1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cccc(F)c1 ZINC001571199721 953004124 /nfs/dbraw/zinc/00/41/24/953004124.db2.gz ABUMSLUSUQNONP-SMDDNHRTSA-N -1 1 382.403 1.806 20 0 GDADMM Cc1coc(C)c1C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1 ZINC001571200088 953006718 /nfs/dbraw/zinc/00/67/18/953006718.db2.gz APYZHWGGSKMULW-DGCLKSJQSA-N -1 1 382.428 1.654 20 0 GDADMM Cc1coc(C)c1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1 ZINC001571200088 953006721 /nfs/dbraw/zinc/00/67/21/953006721.db2.gz APYZHWGGSKMULW-DGCLKSJQSA-N -1 1 382.428 1.654 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)[C@H]2C)oc1C ZINC001571200451 953008863 /nfs/dbraw/zinc/00/88/63/953008863.db2.gz CHPQCBGPWFKRCU-WCQYABFASA-N -1 1 382.428 1.654 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)[C@H]2C)oc1C ZINC001571200451 953008864 /nfs/dbraw/zinc/00/88/64/953008864.db2.gz CHPQCBGPWFKRCU-WCQYABFASA-N -1 1 382.428 1.654 20 0 GDADMM O=C(N[C@@H]1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)c1cccc(F)c1 ZINC001571200331 953008946 /nfs/dbraw/zinc/00/89/46/953008946.db2.gz HTVLKOJWXGLUAI-TZMCWYRMSA-N -1 1 382.403 1.806 20 0 GDADMM O=C(N[C@@H]1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)c1cccc(F)c1 ZINC001571200331 953008949 /nfs/dbraw/zinc/00/89/49/953008949.db2.gz HTVLKOJWXGLUAI-TZMCWYRMSA-N -1 1 382.403 1.806 20 0 GDADMM Cc1coc(C)c1C(=O)N1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1 ZINC001571200805 953011462 /nfs/dbraw/zinc/01/14/62/953011462.db2.gz GMRZBOHRRBRGLU-ZDUSSCGKSA-N -1 1 382.428 1.829 20 0 GDADMM Cc1coc(C)c1C(=O)N1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C1 ZINC001571200805 953011467 /nfs/dbraw/zinc/01/14/67/953011467.db2.gz GMRZBOHRRBRGLU-ZDUSSCGKSA-N -1 1 382.428 1.829 20 0 GDADMM Cc1ccc([C@@H](C)C(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)o1 ZINC001571201022 953013679 /nfs/dbraw/zinc/01/36/79/953013679.db2.gz IENMAXQLKQXWPS-CHWSQXEVSA-N -1 1 382.428 1.187 20 0 GDADMM CCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)c2ccoc2C)CC1 ZINC001571201117 953014812 /nfs/dbraw/zinc/01/48/12/953014812.db2.gz MVZFVDGOXVZNKI-UHFFFAOYSA-N -1 1 382.428 1.477 20 0 GDADMM C[C@@H]1CCCN(C(=O)Cc2ccco2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571201136 953015135 /nfs/dbraw/zinc/01/51/35/953015135.db2.gz NOGUOOLHFUUTJE-DOMZBBRYSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@@H]1CCCN(C(=O)Cc2ccco2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571201136 953015136 /nfs/dbraw/zinc/01/51/36/953015136.db2.gz NOGUOOLHFUUTJE-DOMZBBRYSA-N -1 1 382.428 1.531 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)[C@@H](C)C2)c(C)o1 ZINC001571201776 953019507 /nfs/dbraw/zinc/01/95/07/953019507.db2.gz OCPQVTRPNFGOFD-GWCFXTLKSA-N -1 1 382.428 1.654 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)[C@@H](C)C2)c(C)o1 ZINC001571201776 953019509 /nfs/dbraw/zinc/01/95/09/953019509.db2.gz OCPQVTRPNFGOFD-GWCFXTLKSA-N -1 1 382.428 1.654 20 0 GDADMM Cc1ccc(CC(=O)N2CCC(C)(Nc3nccnc3-c3nnn[n-]3)CC2)o1 ZINC001571202019 953021687 /nfs/dbraw/zinc/02/16/87/953021687.db2.gz QCRAQRZTWQJJMM-UHFFFAOYSA-N -1 1 382.428 1.594 20 0 GDADMM Cc1ccc(CC(=O)N2CCC(C)(Nc3nccnc3-c3nn[n-]n3)CC2)o1 ZINC001571202019 953021691 /nfs/dbraw/zinc/02/16/91/953021691.db2.gz QCRAQRZTWQJJMM-UHFFFAOYSA-N -1 1 382.428 1.594 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)[C@@H]2C)c(C)o1 ZINC001571202190 953022767 /nfs/dbraw/zinc/02/27/67/953022767.db2.gz RODXUOOTIJMKJT-RISCZKNCSA-N -1 1 382.428 1.654 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)[C@@H]2C)c(C)o1 ZINC001571202190 953022770 /nfs/dbraw/zinc/02/27/70/953022770.db2.gz RODXUOOTIJMKJT-RISCZKNCSA-N -1 1 382.428 1.654 20 0 GDADMM CCc1n[nH]cc1C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571205711 953041008 /nfs/dbraw/zinc/04/10/08/953041008.db2.gz NGSQVWJBMXDZNW-LLVKDONJSA-N -1 1 382.432 1.049 20 0 GDADMM CCc1n[nH]cc1C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571205711 953041010 /nfs/dbraw/zinc/04/10/10/953041010.db2.gz NGSQVWJBMXDZNW-LLVKDONJSA-N -1 1 382.432 1.049 20 0 GDADMM Cc1oc(C)c(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H]2C)c1C ZINC001571205790 953042833 /nfs/dbraw/zinc/04/28/33/953042833.db2.gz MBWBEDYUZKVPFD-GWCFXTLKSA-N -1 1 382.428 1.890 20 0 GDADMM Cc1oc(C)c(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H]2C)c1C ZINC001571205790 953042837 /nfs/dbraw/zinc/04/28/37/953042837.db2.gz MBWBEDYUZKVPFD-GWCFXTLKSA-N -1 1 382.428 1.890 20 0 GDADMM CCn1cnc(C(=O)N[C@H]2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)CC2)c1 ZINC001571206121 953047457 /nfs/dbraw/zinc/04/74/57/953047457.db2.gz DIPAOGBNWUWUQX-HAQNSBGRSA-N -1 1 382.432 1.026 20 0 GDADMM CCn1cnc(C(=O)N[C@H]2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)CC2)c1 ZINC001571206121 953047460 /nfs/dbraw/zinc/04/74/60/953047460.db2.gz DIPAOGBNWUWUQX-HAQNSBGRSA-N -1 1 382.432 1.026 20 0 GDADMM CC(C)n1cc(C(=O)N2CC[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001571206463 953051044 /nfs/dbraw/zinc/05/10/44/953051044.db2.gz PWFAZNNSBLIBHP-LBPRGKRZSA-N -1 1 382.432 1.008 20 0 GDADMM CC(C)n1cc(C(=O)N2CC[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001571206463 953051047 /nfs/dbraw/zinc/05/10/47/953051047.db2.gz PWFAZNNSBLIBHP-LBPRGKRZSA-N -1 1 382.432 1.008 20 0 GDADMM Cc1[nH]nc(C(=O)N[C@@H]2CC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)c1C ZINC001571207188 953059875 /nfs/dbraw/zinc/05/98/75/953059875.db2.gz OLGLAOOJDQPOMZ-NWDGAFQWSA-N -1 1 382.432 1.007 20 0 GDADMM Cc1cc(C)c(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(-c3nn[n-]n3)n2)s1 ZINC001571210168 953070517 /nfs/dbraw/zinc/07/05/17/953070517.db2.gz NHCLQCXLYUJIEM-RYUDHWBXSA-N -1 1 382.453 1.438 20 0 GDADMM CN(c1nccnc1-c1nnn[n-]1)[C@@H]1CCCN(C(=O)C23CCC(CC2)C3)C1 ZINC001571211724 953080382 /nfs/dbraw/zinc/08/03/82/953080382.db2.gz DHUGNCWWKWSBAL-SHYRYGCCSA-N -1 1 382.472 1.664 20 0 GDADMM CN(c1nccnc1-c1nn[n-]n1)[C@@H]1CCCN(C(=O)C23CCC(CC2)C3)C1 ZINC001571211724 953080385 /nfs/dbraw/zinc/08/03/85/953080385.db2.gz DHUGNCWWKWSBAL-SHYRYGCCSA-N -1 1 382.472 1.664 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)[C@@H]1CCCC12CC2)c1cncc(-c2nnn[n-]2)n1 ZINC001571212244 953086309 /nfs/dbraw/zinc/08/63/09/953086309.db2.gz JYWHJTIEAHKDRE-KGLIPLIRSA-N -1 1 382.472 1.664 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)[C@@H]1CCCC12CC2)c1cncc(-c2nn[n-]n2)n1 ZINC001571212244 953086310 /nfs/dbraw/zinc/08/63/10/953086310.db2.gz JYWHJTIEAHKDRE-KGLIPLIRSA-N -1 1 382.472 1.664 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(N(C)C(=O)[C@H]3[C@@H]4CCC[C@@H]43)CC2)n1 ZINC001571212863 953091280 /nfs/dbraw/zinc/09/12/80/953091280.db2.gz NRXVAMFSKBQBSX-FOLVSLTJSA-N -1 1 382.472 1.438 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(N(C)C(=O)[C@H]3[C@@H]4CCC[C@@H]43)CC2)n1 ZINC001571212863 953091282 /nfs/dbraw/zinc/09/12/82/953091282.db2.gz NRXVAMFSKBQBSX-FOLVSLTJSA-N -1 1 382.472 1.438 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCCN(C(=O)[C@]34C[C@H]3CCC4)C2)n1 ZINC001571212972 953091327 /nfs/dbraw/zinc/09/13/27/953091327.db2.gz OSWUPKFNOYQDAW-IQUTYRLHSA-N -1 1 382.472 1.806 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCCN(C(=O)[C@]34C[C@H]3CCC4)C2)n1 ZINC001571212972 953091331 /nfs/dbraw/zinc/09/13/31/953091331.db2.gz OSWUPKFNOYQDAW-IQUTYRLHSA-N -1 1 382.472 1.806 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001571212981 953091660 /nfs/dbraw/zinc/09/16/60/953091660.db2.gz PDRPMQGMPSDBLD-OKILXGFUSA-N -1 1 382.472 1.663 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001571212981 953091662 /nfs/dbraw/zinc/09/16/62/953091662.db2.gz PDRPMQGMPSDBLD-OKILXGFUSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H]1C[C@H]1C(=O)N1CC2(C[C@H]1C)CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001571213210 953093042 /nfs/dbraw/zinc/09/30/42/953093042.db2.gz PRNJWZJNYCJLGC-MGPQQGTHSA-N -1 1 382.472 1.520 20 0 GDADMM C[C@@H]1C[C@H]1C(=O)N1CC2(C[C@H]1C)CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001571213210 953093044 /nfs/dbraw/zinc/09/30/44/953093044.db2.gz PRNJWZJNYCJLGC-MGPQQGTHSA-N -1 1 382.472 1.520 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC2CC(N(C)C(=O)[C@]34C[C@H]3CCCC4)C2)n1 ZINC001571213292 953094790 /nfs/dbraw/zinc/09/47/90/953094790.db2.gz RAUYBIYOWOIJHL-WBICIVBESA-N -1 1 382.472 1.947 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC2CC(N(C)C(=O)[C@]34C[C@H]3CCCC4)C2)n1 ZINC001571213292 953094795 /nfs/dbraw/zinc/09/47/95/953094795.db2.gz RAUYBIYOWOIJHL-WBICIVBESA-N -1 1 382.472 1.947 20 0 GDADMM C[C@@H]1CCC[C@H]1CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571214019 953098422 /nfs/dbraw/zinc/09/84/22/953098422.db2.gz VFYLAEJDXUQNMU-BARDWOONSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H]1CCN(C(=O)C2CC3(CC3)C2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571214068 953099718 /nfs/dbraw/zinc/09/97/18/953099718.db2.gz WEZGBLHOZGFJEW-GXTWGEPZSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@H]1CCN(C(=O)C2CC3(CC3)C2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571214068 953099721 /nfs/dbraw/zinc/09/97/21/953099721.db2.gz WEZGBLHOZGFJEW-GXTWGEPZSA-N -1 1 382.472 1.743 20 0 GDADMM CC1(C)CC[C@H]1C(=O)N1CC[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001571214065 953099829 /nfs/dbraw/zinc/09/98/29/953099829.db2.gz WAXTZWQJKRJUIK-DJJJIMSYSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)CC[C@H]1C(=O)N1CC[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001571214065 953099833 /nfs/dbraw/zinc/09/98/33/953099833.db2.gz WAXTZWQJKRJUIK-DJJJIMSYSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H]1CCN(C(=O)C2CC3(CC3)C2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571214069 953099972 /nfs/dbraw/zinc/09/99/72/953099972.db2.gz WEZGBLHOZGFJEW-JSGCOSHPSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@H]1CCN(C(=O)C2CC3(CC3)C2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571214069 953099975 /nfs/dbraw/zinc/09/99/75/953099975.db2.gz WEZGBLHOZGFJEW-JSGCOSHPSA-N -1 1 382.472 1.743 20 0 GDADMM CC[C@@H]1CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)CC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571214392 953101408 /nfs/dbraw/zinc/10/14/08/953101408.db2.gz YFEQFYORQNSHRW-NIFZNCRKSA-N -1 1 382.472 1.742 20 0 GDADMM CC[C@@H]1CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)CC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571214392 953101413 /nfs/dbraw/zinc/10/14/13/953101413.db2.gz YFEQFYORQNSHRW-NIFZNCRKSA-N -1 1 382.472 1.742 20 0 GDADMM CCC1(C(=O)N2C[C@@H]3CCC[C@H](Nc4cncc(-c5nnn[n-]5)n4)[C@@H]3C2)CC1 ZINC001571214487 953102813 /nfs/dbraw/zinc/10/28/13/953102813.db2.gz ZWXBUTFNOGWEGE-MJBXVCDLSA-N -1 1 382.472 1.886 20 0 GDADMM CCC1(C(=O)N2C[C@@H]3CCC[C@H](Nc4cncc(-c5nn[n-]n5)n4)[C@@H]3C2)CC1 ZINC001571214487 953102815 /nfs/dbraw/zinc/10/28/15/953102815.db2.gz ZWXBUTFNOGWEGE-MJBXVCDLSA-N -1 1 382.472 1.886 20 0 GDADMM O=C([C@H]1CC2CCC1CC2)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571216891 953104655 /nfs/dbraw/zinc/10/46/55/953104655.db2.gz BNPVZUVKGSJWJF-NRXISQOPSA-N -1 1 382.472 1.522 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)C(C1CCC1)C1CCC1 ZINC001571216863 953104881 /nfs/dbraw/zinc/10/48/81/953104881.db2.gz BAHANQIQBLKLNE-HDJSIYSDSA-N -1 1 382.472 1.932 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)C(C1CCC1)C1CCC1 ZINC001571216863 953104882 /nfs/dbraw/zinc/10/48/82/953104882.db2.gz BAHANQIQBLKLNE-HDJSIYSDSA-N -1 1 382.472 1.932 20 0 GDADMM O=C(N[C@H]1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CC1)[C@@H]1CCC[C@H]2C[C@H]21 ZINC001571217258 953106594 /nfs/dbraw/zinc/10/65/94/953106594.db2.gz DFDVYWVPWLURQD-BTFPBAQTSA-N -1 1 382.472 1.932 20 0 GDADMM O=C(N[C@H]1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CC1)[C@@H]1CCC[C@H]2C[C@H]21 ZINC001571217258 953106597 /nfs/dbraw/zinc/10/65/97/953106597.db2.gz DFDVYWVPWLURQD-BTFPBAQTSA-N -1 1 382.472 1.932 20 0 GDADMM O=C(NC[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)[C@@H]1CCCC12CC2 ZINC001571217346 953107237 /nfs/dbraw/zinc/10/72/37/953107237.db2.gz FWGDDBVZBNNNQT-KBPBESRZSA-N -1 1 382.472 1.570 20 0 GDADMM O=C([C@@H]1CC12CCCC2)N1CC[C@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001571218405 953115076 /nfs/dbraw/zinc/11/50/76/953115076.db2.gz MUJARAGZKXCOPG-KBPBESRZSA-N -1 1 382.472 1.888 20 0 GDADMM O=C([C@@H]1CC12CCCC2)N1CC[C@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001571218405 953115080 /nfs/dbraw/zinc/11/50/80/953115080.db2.gz MUJARAGZKXCOPG-KBPBESRZSA-N -1 1 382.472 1.888 20 0 GDADMM O=C(NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)[C@@H]1C[C@H]1C1CCCC1 ZINC001571218404 953115445 /nfs/dbraw/zinc/11/54/45/953115445.db2.gz MUCBUNMLZOYALD-LSDHHAIUSA-N -1 1 382.472 1.568 20 0 GDADMM O=C(NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)[C@@H]1C[C@H]1C1CCCC1 ZINC001571218404 953115448 /nfs/dbraw/zinc/11/54/48/953115448.db2.gz MUCBUNMLZOYALD-LSDHHAIUSA-N -1 1 382.472 1.568 20 0 GDADMM O=C(NC[C@H]1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ncccc1F ZINC001571218798 953119204 /nfs/dbraw/zinc/11/92/04/953119204.db2.gz DUENGZNPZLGBOF-WDEREUQCSA-N -1 1 383.391 1.201 20 0 GDADMM O=C(NC[C@H]1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ncccc1F ZINC001571218798 953119206 /nfs/dbraw/zinc/11/92/06/953119206.db2.gz DUENGZNPZLGBOF-WDEREUQCSA-N -1 1 383.391 1.201 20 0 GDADMM O=C([C@H]1CCCC2(CC2)C1)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571219096 953122539 /nfs/dbraw/zinc/12/25/39/953122539.db2.gz VCOLNBRUSHIZMP-KBPBESRZSA-N -1 1 382.472 1.452 20 0 GDADMM O=C(N[C@@H]1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)C1CC2(CCC2)C1 ZINC001571219356 953124987 /nfs/dbraw/zinc/12/49/87/953124987.db2.gz XUGQMTBFUZIKGR-GXTWGEPZSA-N -1 1 382.472 1.934 20 0 GDADMM O=C(N[C@@H]1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)C1CC2(CCC2)C1 ZINC001571219356 953124990 /nfs/dbraw/zinc/12/49/90/953124990.db2.gz XUGQMTBFUZIKGR-GXTWGEPZSA-N -1 1 382.472 1.934 20 0 GDADMM CC(C)(C)OC(=O)Cn1cc(Nc2cc(-c3nnn[n-]3)nc(C3CC3)n2)cn1 ZINC001571222898 953139967 /nfs/dbraw/zinc/13/99/67/953139967.db2.gz MYQVPZKBGTYMEA-UHFFFAOYSA-N -1 1 383.416 1.816 20 0 GDADMM CC(C)(C)OC(=O)Cn1cc(Nc2cc(-c3nn[n-]n3)nc(C3CC3)n2)cn1 ZINC001571222898 953139970 /nfs/dbraw/zinc/13/99/70/953139970.db2.gz MYQVPZKBGTYMEA-UHFFFAOYSA-N -1 1 383.416 1.816 20 0 GDADMM CCc1noc(C)c1C(=O)NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571223052 953141268 /nfs/dbraw/zinc/14/12/68/953141268.db2.gz PQVZHQCLWPNZHK-UHFFFAOYSA-N -1 1 383.416 1.136 20 0 GDADMM CCc1noc(C)c1C(=O)NCC1CC(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571223052 953141272 /nfs/dbraw/zinc/14/12/72/953141272.db2.gz PQVZHQCLWPNZHK-UHFFFAOYSA-N -1 1 383.416 1.136 20 0 GDADMM CCc1ocnc1C(=O)N1C[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1 ZINC001571223071 953141353 /nfs/dbraw/zinc/14/13/53/953141353.db2.gz QCGPZVOHXICLKQ-GHMZBOCLSA-N -1 1 383.416 1.027 20 0 GDADMM CCc1ocnc1C(=O)N1C[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1 ZINC001571223071 953141356 /nfs/dbraw/zinc/14/13/56/953141356.db2.gz QCGPZVOHXICLKQ-GHMZBOCLSA-N -1 1 383.416 1.027 20 0 GDADMM CC[C@H]1CN(C(=O)c2ocnc2C)CC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571223143 953141549 /nfs/dbraw/zinc/14/15/49/953141549.db2.gz OJGLCARSQVOKGG-NWDGAFQWSA-N -1 1 383.416 1.306 20 0 GDADMM CC[C@H]1CN(C(=O)c2ocnc2C)CC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571223143 953141553 /nfs/dbraw/zinc/14/15/53/953141553.db2.gz OJGLCARSQVOKGG-NWDGAFQWSA-N -1 1 383.416 1.306 20 0 GDADMM Cc1noc(C)c1C(=O)N[C@@H]1C[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571225172 953152016 /nfs/dbraw/zinc/15/20/16/953152016.db2.gz IFRQKHDYKZUZKP-HAQNSBGRSA-N -1 1 383.416 1.190 20 0 GDADMM Cc1noc(C)c1C(=O)N[C@@H]1C[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571225172 953152019 /nfs/dbraw/zinc/15/20/19/953152019.db2.gz IFRQKHDYKZUZKP-HAQNSBGRSA-N -1 1 383.416 1.190 20 0 GDADMM Cc1cc(C(=O)N2CCCC[C@H]2[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)on1 ZINC001571226941 953157346 /nfs/dbraw/zinc/15/73/46/953157346.db2.gz XKDCLFMHEMZNBN-AAEUAGOBSA-N -1 1 383.416 1.448 20 0 GDADMM Cc1cc(C(=O)N2CCCC[C@H]2[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)on1 ZINC001571226941 953157348 /nfs/dbraw/zinc/15/73/48/953157348.db2.gz XKDCLFMHEMZNBN-AAEUAGOBSA-N -1 1 383.416 1.448 20 0 GDADMM Cc1cc(F)cc(-c2nn[n-]n2)c1S(=O)(=O)NCC[C@H]1CC(C)(C)CO1 ZINC001571231028 953182895 /nfs/dbraw/zinc/18/28/95/953182895.db2.gz QNDZTDFWIFRSNL-LBPRGKRZSA-N -1 1 383.449 1.798 20 0 GDADMM CO[C@@H](C(=O)N1CC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1)C1CC1 ZINC001571234973 953207651 /nfs/dbraw/zinc/20/76/51/953207651.db2.gz OKLGIYQBXVMGAN-WCBMZHEXSA-N -1 1 383.865 1.414 20 0 GDADMM CO[C@@H](C(=O)N1CC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1)C1CC1 ZINC001571234973 953207653 /nfs/dbraw/zinc/20/76/53/953207653.db2.gz OKLGIYQBXVMGAN-WCBMZHEXSA-N -1 1 383.865 1.414 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1)[C@@H]1CCCCO1 ZINC001571235201 953209357 /nfs/dbraw/zinc/20/93/57/953209357.db2.gz WQBGBTCUPBFWDO-YIZRAAEISA-N -1 1 383.865 1.605 20 0 GDADMM C[C@@]1(C(=O)N[C@H]2C[C@H](Nc3nc(Cl)c(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001571235126 953209402 /nfs/dbraw/zinc/20/94/02/953209402.db2.gz UMWVMTGOAQIIKX-WFEFGEHDSA-N -1 1 383.865 1.462 20 0 GDADMM C[C@@]1(C(=O)N[C@H]2C[C@H](Nc3nc(Cl)c(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001571235126 953209405 /nfs/dbraw/zinc/20/94/05/953209405.db2.gz UMWVMTGOAQIIKX-WFEFGEHDSA-N -1 1 383.865 1.462 20 0 GDADMM COc1cccc2c1OCCC[C@H]2NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001571238149 953225701 /nfs/dbraw/zinc/22/57/01/953225701.db2.gz VNKRCZSGSXXGMU-CMPLNLGQSA-N -1 1 384.400 1.058 20 0 GDADMM Cc1ccc(CC(=O)N2CCC[C@H]2CNc2cnc(-c3nnn[n-]3)cn2)s1 ZINC001571244609 953264697 /nfs/dbraw/zinc/26/46/97/953264697.db2.gz CDZNWNZXBJDKPV-LBPRGKRZSA-N -1 1 384.469 1.672 20 0 GDADMM Cc1ccc(CC(=O)N2CCC[C@H]2CNc2cnc(-c3nn[n-]n3)cn2)s1 ZINC001571244609 953264700 /nfs/dbraw/zinc/26/47/00/953264700.db2.gz CDZNWNZXBJDKPV-LBPRGKRZSA-N -1 1 384.469 1.672 20 0 GDADMM CCc1ccc(C(=O)N2CCC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)s1 ZINC001571244604 953264897 /nfs/dbraw/zinc/26/48/97/953264897.db2.gz CCFCKNCPDYSOEI-LLVKDONJSA-N -1 1 384.469 1.997 20 0 GDADMM CCc1ccc(C(=O)N2CCC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)s1 ZINC001571244604 953264901 /nfs/dbraw/zinc/26/49/01/953264901.db2.gz CCFCKNCPDYSOEI-LLVKDONJSA-N -1 1 384.469 1.997 20 0 GDADMM Cc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2snc(C)c2-c2nn[n-]n2)c(C)[nH]1 ZINC001571244691 953266064 /nfs/dbraw/zinc/26/60/64/953266064.db2.gz FECVXKBKXDYWNL-RYUDHWBXSA-N -1 1 384.469 1.680 20 0 GDADMM C[C@@H]1CN(C(=O)Cc2cccs2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571244908 953268640 /nfs/dbraw/zinc/26/86/40/953268640.db2.gz LWQSEDWAPWQWAI-NEPJUHHUSA-N -1 1 384.469 1.467 20 0 GDADMM C[C@@H]1CN(C(=O)Cc2cccs2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571244908 953268642 /nfs/dbraw/zinc/26/86/42/953268642.db2.gz LWQSEDWAPWQWAI-NEPJUHHUSA-N -1 1 384.469 1.467 20 0 GDADMM Cc1nsc(N2CC[C@H](N(C)C(=O)c3ncccc3C)C2)c1-c1nn[n-]n1 ZINC001571245235 953271476 /nfs/dbraw/zinc/27/14/76/953271476.db2.gz PVWIEPSLQXKVSR-LBPRGKRZSA-N -1 1 384.469 1.686 20 0 GDADMM Cc1nsc(N2CC[C@H](CNC(=O)c3cnccc3C)C2)c1-c1nn[n-]n1 ZINC001571245543 953274336 /nfs/dbraw/zinc/27/43/36/953274336.db2.gz UZHMCEVGVAMNPB-GFCCVEGCSA-N -1 1 384.469 1.591 20 0 GDADMM Cc1ccc(CC(=O)N2CCC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)s1 ZINC001571245598 953275016 /nfs/dbraw/zinc/27/50/16/953275016.db2.gz WGWJTQHLOMDALM-GFCCVEGCSA-N -1 1 384.469 1.672 20 0 GDADMM Cc1ccc(CC(=O)N2CCC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)s1 ZINC001571245598 953275019 /nfs/dbraw/zinc/27/50/19/953275019.db2.gz WGWJTQHLOMDALM-GFCCVEGCSA-N -1 1 384.469 1.672 20 0 GDADMM Cc1cscc1C(=O)N(C)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571245628 953275078 /nfs/dbraw/zinc/27/50/78/953275078.db2.gz XLKGWPALWIJZDS-UHFFFAOYSA-N -1 1 384.469 1.768 20 0 GDADMM Cc1cscc1C(=O)N(C)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571245628 953275079 /nfs/dbraw/zinc/27/50/79/953275079.db2.gz XLKGWPALWIJZDS-UHFFFAOYSA-N -1 1 384.469 1.768 20 0 GDADMM O=C(C1=COCCC1)N1CCCC[C@@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001571248551 953294430 /nfs/dbraw/zinc/29/44/30/953294430.db2.gz GIUVLDSYPHOKDF-CQSZACIVSA-N -1 1 384.444 1.534 20 0 GDADMM O=C(C1=COCCC1)N1CCCC[C@@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001571248551 953294433 /nfs/dbraw/zinc/29/44/33/953294433.db2.gz GIUVLDSYPHOKDF-CQSZACIVSA-N -1 1 384.444 1.534 20 0 GDADMM O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nccs1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571248654 953296029 /nfs/dbraw/zinc/29/60/29/953296029.db2.gz XAEPURQWIRKGGU-YHWZYXNKSA-N -1 1 384.469 1.577 20 0 GDADMM CC1(C)C(C(=O)N[C@H]2CC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)C1(C)C ZINC001571249158 953301517 /nfs/dbraw/zinc/30/15/17/953301517.db2.gz FACMJMRSMLOEMG-RYUDHWBXSA-N -1 1 384.488 1.458 20 0 GDADMM CC1(C)C(C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)CC2(C)C)C1(C)C ZINC001571249401 953304447 /nfs/dbraw/zinc/30/44/47/953304447.db2.gz IFRMCRZLBZHBJJ-GFCCVEGCSA-N -1 1 384.488 1.670 20 0 GDADMM CC1(C)C(C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)CC2(C)C)C1(C)C ZINC001571249401 953304451 /nfs/dbraw/zinc/30/44/51/953304451.db2.gz IFRMCRZLBZHBJJ-GFCCVEGCSA-N -1 1 384.488 1.670 20 0 GDADMM O=C(C1=COCCC1)N1CCCCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571251790 953319307 /nfs/dbraw/zinc/31/93/07/953319307.db2.gz XENUDBDAQYVRNY-AWEZNQCLSA-N -1 1 384.444 1.534 20 0 GDADMM O=C(C1=COCCC1)N1CCCCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571251790 953319312 /nfs/dbraw/zinc/31/93/12/953319312.db2.gz XENUDBDAQYVRNY-AWEZNQCLSA-N -1 1 384.444 1.534 20 0 GDADMM 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/nfs/dbraw/zinc/11/65/03/532116503.db2.gz PBVSJIWKMVFQER-UHFFFAOYSA-N -1 1 399.523 1.664 20 0 GDADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(F)(F)[C@@H](CO)C2)o1 ZINC000330916408 532132964 /nfs/dbraw/zinc/13/29/64/532132964.db2.gz KUMPCBPRDDZNST-SNVBAGLBSA-N -1 1 380.413 1.446 20 0 GDADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]([S@](=O)CC)C2)o1 ZINC000427250643 532178503 /nfs/dbraw/zinc/17/85/03/532178503.db2.gz PUCRKLVXDQOULZ-YCDSQXFLSA-N -1 1 377.484 1.814 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)[N-]C2(C(F)(F)F)CCOCC2)cnc1C ZINC000427244533 532178516 /nfs/dbraw/zinc/17/85/16/532178516.db2.gz VOJOPIJYQZHEPP-UHFFFAOYSA-N -1 1 382.360 1.566 20 0 GDADMM CS(=O)(=O)NCC1CCN(C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000286912525 532184852 /nfs/dbraw/zinc/18/48/52/532184852.db2.gz KHHXZDMMGAPHGD-UHFFFAOYSA-N -1 1 391.287 1.556 20 0 GDADMM CCOC(=O)c1ccc(C[N-]S(=O)(=O)c2scnc2C(=O)OC)cc1 ZINC000274096398 532185030 /nfs/dbraw/zinc/18/50/30/532185030.db2.gz AQOWUSCQCYMQIO-UHFFFAOYSA-N -1 1 384.435 1.585 20 0 GDADMM CC(=O)N(CCc1noc([C@@H](C)[N-]S(=O)(=O)c2cccs2)n1)C(C)C ZINC000273885359 532174788 /nfs/dbraw/zinc/17/47/88/532174788.db2.gz IWAZOJWXWZBUSQ-LLVKDONJSA-N -1 1 386.499 1.970 20 0 GDADMM Cc1noc(CCC[N-]S(=O)(=O)c2nc(C)n(C)c2Br)n1 ZINC000287025501 532191833 /nfs/dbraw/zinc/19/18/33/532191833.db2.gz VGSROEAXDHAKDM-UHFFFAOYSA-N -1 1 378.252 1.094 20 0 GDADMM COCCN(C(=O)c1ccc(I)c([O-])c1)[C@H]1CCOC1 ZINC000428550466 532210844 /nfs/dbraw/zinc/21/08/44/532210844.db2.gz VELWMONXUDUWKK-NSHDSACASA-N -1 1 391.205 1.874 20 0 GDADMM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(=O)NCCF ZINC000287426513 532215139 /nfs/dbraw/zinc/21/51/39/532215139.db2.gz PTJQGDADONSBNU-SSDOTTSWSA-N -1 1 376.303 1.477 20 0 GDADMM C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2nc(Br)ccc2[O-])C1=O ZINC000274573817 532218315 /nfs/dbraw/zinc/21/83/15/532218315.db2.gz MYIZVLLWVOFVHY-CQSZACIVSA-N -1 1 383.202 1.209 20 0 GDADMM COc1cc(C=CC(=O)N(C)C[C@@H](C)c2nn[n-]n2)cc(Br)c1O ZINC000274771950 532232394 /nfs/dbraw/zinc/23/23/94/532232394.db2.gz MDOIVLSVWOTJIJ-XNPJLODASA-N -1 1 396.245 1.952 20 0 GDADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCS(=O)(=O)[C@H]2COCC[C@H]21 ZINC000333705264 532246055 /nfs/dbraw/zinc/24/60/55/532246055.db2.gz FNDMPGGIGPRRAB-YPMHNXCESA-N -1 1 379.356 1.439 20 0 GDADMM Cc1nn(C)c(C)c1[C@H](NS(=O)(=O)c1c(F)cc(F)cc1F)C(=O)[O-] ZINC000275149796 532270462 /nfs/dbraw/zinc/27/04/62/532270462.db2.gz YICLGSCNBUASIT-LBPRGKRZSA-N -1 1 377.344 1.558 20 0 GDADMM COC(=O)c1sc(S(=O)(=O)N[C@H](C)CCC(=O)[O-])c(C(=O)OC)c1C ZINC000275052082 532258015 /nfs/dbraw/zinc/25/80/15/532258015.db2.gz SNMTWGAELAMSQU-SSDOTTSWSA-N -1 1 393.439 1.161 20 0 GDADMM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)c(NC(N)=O)c2)c1 ZINC000431150025 532260381 /nfs/dbraw/zinc/26/03/81/532260381.db2.gz DZMBZXHMGOVXJO-UHFFFAOYSA-N -1 1 387.414 1.521 20 0 GDADMM CCc1cccnc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CC=C(C)CC1 ZINC000348357586 532267731 /nfs/dbraw/zinc/26/77/31/532267731.db2.gz XANZLSKIBHUOMZ-UHFFFAOYSA-N -1 1 387.527 1.758 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2C[C@@H](O)C2(C)C)c(Br)o1 ZINC000275133331 532268249 /nfs/dbraw/zinc/26/82/49/532268249.db2.gz CCMKKQULPQAMOO-DTWKUNHWSA-N -1 1 382.232 1.266 20 0 GDADMM O=S(=O)(CCCS(=O)(=O)N1CCCCO1)[N-]c1cccc(C2CC2)n1 ZINC000349460169 532292258 /nfs/dbraw/zinc/29/22/58/532292258.db2.gz GGCRZEOTFDRYIV-UHFFFAOYSA-N -1 1 389.499 1.448 20 0 GDADMM O=C([O-])CN1CCCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 ZINC000275412101 532293965 /nfs/dbraw/zinc/29/39/65/532293965.db2.gz ZUPBKDPGRSZYIJ-UHFFFAOYSA-N -1 1 382.360 1.366 20 0 GDADMM CO[C@@H](C)C[N-]S(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl ZINC000276248727 532324550 /nfs/dbraw/zinc/32/45/50/532324550.db2.gz VROGEXXCGLOFDJ-YFKPBYRVSA-N -1 1 399.650 1.850 20 0 GDADMM CCOCc1nc([C@H](C)[N-]S(=O)(=O)c2csc(C(=O)OC)c2)no1 ZINC000289474317 532325599 /nfs/dbraw/zinc/32/55/99/532325599.db2.gz HQQBMLDKWZZXKI-QMMMGPOBSA-N -1 1 375.428 1.494 20 0 GDADMM NC(=O)[C@H](c1ccc(Br)cc1F)N1CCC(c2nc(=O)[n-][nH]2)CC1 ZINC000289159258 532317162 /nfs/dbraw/zinc/31/71/62/532317162.db2.gz DLNOIAMPUILYPS-LBPRGKRZSA-N -1 1 398.236 1.406 20 0 GDADMM CSc1nnc(CCC[N-]S(=O)(=O)c2c(C)onc2N)n1CC(C)C ZINC000289620591 532329643 /nfs/dbraw/zinc/32/96/43/532329643.db2.gz XWVGCAKEKPXYHH-UHFFFAOYSA-N -1 1 388.519 1.446 20 0 GDADMM O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)c1c(F)ccc([O-])c1F ZINC000289664849 532330481 /nfs/dbraw/zinc/33/04/81/532330481.db2.gz YSQXFSJZGSMKAG-UHFFFAOYSA-N -1 1 384.351 1.665 20 0 GDADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NCC(=O)OCC1CC1 ZINC000289754926 532331583 /nfs/dbraw/zinc/33/15/83/532331583.db2.gz KGKMGSVDVGVORL-UHFFFAOYSA-N -1 1 395.264 1.341 20 0 GDADMM O=C([N-]C[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)nc2)C1)C(F)(F)F ZINC000289765952 532331833 /nfs/dbraw/zinc/33/18/33/532331833.db2.gz ZMOIQXVFISGPNV-SNVBAGLBSA-N -1 1 399.822 1.955 20 0 GDADMM COC[C@@]1(C[N-]S(=O)(=O)c2ncn(C)c2Cl)OCCc2ccccc21 ZINC000289797114 532332287 /nfs/dbraw/zinc/33/22/87/532332287.db2.gz IZLHIUZFUYEHHQ-MRXNPFEDSA-N -1 1 385.873 1.466 20 0 GDADMM CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000359927349 209203511 /nfs/dbraw/zinc/20/35/11/209203511.db2.gz LFCOGVZLEWFNHU-KRWDZBQOSA-N -1 1 393.447 1.294 20 0 GDADMM CCS(=O)(=O)C[C@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000736657602 598824204 /nfs/dbraw/zinc/82/42/04/598824204.db2.gz ULPFBODKQZYTJS-JTQLQIEISA-N -1 1 392.441 1.112 20 0 GDADMM CCS(=O)(=O)C[C@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000736657602 598824205 /nfs/dbraw/zinc/82/42/05/598824205.db2.gz ULPFBODKQZYTJS-JTQLQIEISA-N -1 1 392.441 1.112 20 0 GDADMM Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N1CCN(C2CCC2)CC1 ZINC000737201776 598826304 /nfs/dbraw/zinc/82/63/04/598826304.db2.gz VYPQKVWHPKZLGC-UHFFFAOYSA-N -1 1 385.472 1.213 20 0 GDADMM NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000737759172 598842314 /nfs/dbraw/zinc/84/23/14/598842314.db2.gz IFDXZDDXEODLSA-UHFFFAOYSA-N -1 1 396.791 1.559 20 0 GDADMM Nc1n[nH]c(CCCNC(=O)Nc2ccc(OCC3CC3)cc2)c1-c1nnn[n-]1 ZINC000737776834 598852849 /nfs/dbraw/zinc/85/28/49/598852849.db2.gz RSIDQLWVFFTNLA-UHFFFAOYSA-N -1 1 397.443 1.715 20 0 GDADMM Nc1n[nH]c(CCCNC(=O)Nc2ccc(OCC3CC3)cc2)c1-c1nn[n-]n1 ZINC000737776834 598852850 /nfs/dbraw/zinc/85/28/50/598852850.db2.gz RSIDQLWVFFTNLA-UHFFFAOYSA-N -1 1 397.443 1.715 20 0 GDADMM O=S(=O)(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)[C@H]1CCOC1 ZINC000738346292 598876598 /nfs/dbraw/zinc/87/65/98/598876598.db2.gz XSKSJHBKKCFDNK-ZDUSSCGKSA-N -1 1 391.478 1.804 20 0 GDADMM CCc1cc(NC(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)no1 ZINC000736677828 598906080 /nfs/dbraw/zinc/90/60/80/598906080.db2.gz OVMUFPXJAGQBRB-UHFFFAOYSA-N -1 1 399.415 1.637 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)N[C@H]2CCc3n[nH]cc3C2)c1-c1nn[n-]n1 ZINC000737188849 598912977 /nfs/dbraw/zinc/91/29/77/598912977.db2.gz HOEDURYWLSWVOJ-NSHDSACASA-N -1 1 396.480 1.871 20 0 GDADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1cccc(S(C)(=O)=O)c1 ZINC000737301424 598930091 /nfs/dbraw/zinc/93/00/91/598930091.db2.gz MRJYUNJAIZGSKX-UHFFFAOYSA-N -1 1 393.450 1.379 20 0 GDADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc(-c2nncn2C)cc1 ZINC000737223605 598947009 /nfs/dbraw/zinc/94/70/09/598947009.db2.gz AHZROYXLPWYRQF-UHFFFAOYSA-N -1 1 396.436 1.771 20 0 GDADMM CCC(CC)C(=O)N1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000736336704 598957623 /nfs/dbraw/zinc/95/76/23/598957623.db2.gz GLIQTDAXDRMDRX-UHFFFAOYSA-N -1 1 380.456 1.895 20 0 GDADMM CCC(CC)C(=O)N1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000736336704 598957625 /nfs/dbraw/zinc/95/76/25/598957625.db2.gz GLIQTDAXDRMDRX-UHFFFAOYSA-N -1 1 380.456 1.895 20 0 GDADMM COc1cccc(C(=O)NCCNc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000737120539 598958824 /nfs/dbraw/zinc/95/88/24/598958824.db2.gz DNXSTZYMWAFVRG-UHFFFAOYSA-N -1 1 390.407 1.660 20 0 GDADMM COc1cccc(C(=O)NCCNc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000737120539 598958826 /nfs/dbraw/zinc/95/88/26/598958826.db2.gz DNXSTZYMWAFVRG-UHFFFAOYSA-N -1 1 390.407 1.660 20 0 GDADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2C)cc1 ZINC000819788627 607254829 /nfs/dbraw/zinc/25/48/29/607254829.db2.gz FORNPOCDLZCDFQ-UHFFFAOYSA-N -1 1 386.437 1.959 20 0 GDADMM CN(C[C@H](O)COCc1ccccc1)c1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736788438 598969509 /nfs/dbraw/zinc/96/95/09/598969509.db2.gz KTVVECKIMOCFMA-HNNXBMFYSA-N -1 1 391.435 1.824 20 0 GDADMM CN(C[C@H](O)COCc1ccccc1)c1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736788438 598969510 /nfs/dbraw/zinc/96/95/10/598969510.db2.gz KTVVECKIMOCFMA-HNNXBMFYSA-N -1 1 391.435 1.824 20 0 GDADMM CN(Cc1ccc(S(C)(=O)=O)cc1)c1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736819042 598973822 /nfs/dbraw/zinc/97/38/22/598973822.db2.gz GDAQZKMLLDIJEN-UHFFFAOYSA-N -1 1 395.448 1.850 20 0 GDADMM CN(Cc1ccc(S(C)(=O)=O)cc1)c1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736819042 598973824 /nfs/dbraw/zinc/97/38/24/598973824.db2.gz GDAQZKMLLDIJEN-UHFFFAOYSA-N -1 1 395.448 1.850 20 0 GDADMM CCN1C[C@@H](CN(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)Oc2ccccc21 ZINC000736564484 598984414 /nfs/dbraw/zinc/98/44/14/598984414.db2.gz BXHJACXEGUVRKC-CQSZACIVSA-N -1 1 379.424 1.621 20 0 GDADMM CCN1C[C@@H](CN(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)Oc2ccccc21 ZINC000736564484 598984415 /nfs/dbraw/zinc/98/44/15/598984415.db2.gz BXHJACXEGUVRKC-CQSZACIVSA-N -1 1 379.424 1.621 20 0 GDADMM O=C(Nc1cccc(C(=O)Nc2ccncc2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738183285 599000740 /nfs/dbraw/zinc/00/07/40/599000740.db2.gz KRMAKOWXTWGAAZ-UHFFFAOYSA-N -1 1 386.375 1.583 20 0 GDADMM O=C(Nc1cccc(C(=O)Nc2ccncc2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738183285 599000742 /nfs/dbraw/zinc/00/07/42/599000742.db2.gz KRMAKOWXTWGAAZ-UHFFFAOYSA-N -1 1 386.375 1.583 20 0 GDADMM Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737435123 599004895 /nfs/dbraw/zinc/00/48/95/599004895.db2.gz HJDJEDFTVZOOBU-OAHLLOKOSA-N -1 1 395.448 1.724 20 0 GDADMM Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737435123 599004898 /nfs/dbraw/zinc/00/48/98/599004898.db2.gz HJDJEDFTVZOOBU-OAHLLOKOSA-N -1 1 395.448 1.724 20 0 GDADMM COc1ccccc1NC(=O)Cc1noc(-c2ccc(-c3nnn[n-]3)nc2)n1 ZINC000737152046 599010344 /nfs/dbraw/zinc/01/03/44/599010344.db2.gz LGOVDADQCSYNEF-UHFFFAOYSA-N -1 1 378.352 1.502 20 0 GDADMM COc1ccccc1NC(=O)Cc1noc(-c2ccc(-c3nn[n-]n3)nc2)n1 ZINC000737152046 599010346 /nfs/dbraw/zinc/01/03/46/599010346.db2.gz LGOVDADQCSYNEF-UHFFFAOYSA-N -1 1 378.352 1.502 20 0 GDADMM COc1ccc(CN2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)cc1F ZINC000737090055 599019475 /nfs/dbraw/zinc/01/94/75/599019475.db2.gz ADVOEAJGJDNOPK-UHFFFAOYSA-N -1 1 397.414 1.367 20 0 GDADMM COc1ccc(CN2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)cc1F ZINC000737090055 599019477 /nfs/dbraw/zinc/01/94/77/599019477.db2.gz ADVOEAJGJDNOPK-UHFFFAOYSA-N -1 1 397.414 1.367 20 0 GDADMM Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC000737400539 599023995 /nfs/dbraw/zinc/02/39/95/599023995.db2.gz SPODGKWQCKMWQZ-CQSZACIVSA-N -1 1 392.423 1.456 20 0 GDADMM Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC000737400539 599023996 /nfs/dbraw/zinc/02/39/96/599023996.db2.gz SPODGKWQCKMWQZ-CQSZACIVSA-N -1 1 392.423 1.456 20 0 GDADMM CCO[C@@H]1C[C@@H](O)C12CCN(c1c3ccccc3nnc1-c1nnn[n-]1)CC2 ZINC000736611065 599046768 /nfs/dbraw/zinc/04/67/68/599046768.db2.gz IKNGYAHRHGDDKP-HUUCEWRRSA-N -1 1 381.440 1.566 20 0 GDADMM CCO[C@@H]1C[C@@H](O)C12CCN(c1c3ccccc3nnc1-c1nn[n-]n1)CC2 ZINC000736611065 599046771 /nfs/dbraw/zinc/04/67/71/599046771.db2.gz IKNGYAHRHGDDKP-HUUCEWRRSA-N -1 1 381.440 1.566 20 0 GDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000737776362 599055504 /nfs/dbraw/zinc/05/55/04/599055504.db2.gz LFWYJWDDQZWTLR-RKDXNWHRSA-N -1 1 379.302 1.988 20 0 GDADMM CCc1nsc(N2CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)n1 ZINC000821558612 599098746 /nfs/dbraw/zinc/09/87/46/599098746.db2.gz BWGDKZREROVLCL-UHFFFAOYSA-N -1 1 377.865 1.656 20 0 GDADMM CCc1nsc(N2CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)n1 ZINC000821558612 599098750 /nfs/dbraw/zinc/09/87/50/599098750.db2.gz BWGDKZREROVLCL-UHFFFAOYSA-N -1 1 377.865 1.656 20 0 GDADMM COc1ccc(-c2nc(SCc3ncnn3C)[nH]c(=O)c2-c2nn[n-]n2)cc1 ZINC000821731431 599123526 /nfs/dbraw/zinc/12/35/26/599123526.db2.gz CYKJDHPXMSGJTK-UHFFFAOYSA-N -1 1 397.424 1.459 20 0 GDADMM Cc1nn(CC(=O)c2cnn(-c3ccccc3)c2)c(=O)c(-c2nn[n-]n2)c1C ZINC000822501191 599124264 /nfs/dbraw/zinc/12/42/64/599124264.db2.gz ZTXKOEMGYLHSOE-UHFFFAOYSA-N -1 1 376.380 1.109 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000736158471 599134024 /nfs/dbraw/zinc/13/40/24/599134024.db2.gz QMCHYAKVPWNOIP-JTQLQIEISA-N -1 1 396.363 1.217 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000736158471 599134026 /nfs/dbraw/zinc/13/40/26/599134026.db2.gz QMCHYAKVPWNOIP-JTQLQIEISA-N -1 1 396.363 1.217 20 0 GDADMM COc1ccc(CN(C)C(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737090728 599138759 /nfs/dbraw/zinc/13/87/59/599138759.db2.gz SKNIDPURKQNSMN-UHFFFAOYSA-N -1 1 382.380 1.086 20 0 GDADMM COc1ccc(CN(C)C(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737090728 599138761 /nfs/dbraw/zinc/13/87/61/599138761.db2.gz SKNIDPURKQNSMN-UHFFFAOYSA-N -1 1 382.380 1.086 20 0 GDADMM CCc1ccc([C@@H](C)NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736690144 599140339 /nfs/dbraw/zinc/14/03/39/599140339.db2.gz YSZWWAAONYTYCS-GFCCVEGCSA-N -1 1 380.408 1.858 20 0 GDADMM CCc1ccc([C@@H](C)NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736690144 599140341 /nfs/dbraw/zinc/14/03/41/599140341.db2.gz YSZWWAAONYTYCS-GFCCVEGCSA-N -1 1 380.408 1.858 20 0 GDADMM CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735636266 599221958 /nfs/dbraw/zinc/22/19/58/599221958.db2.gz ROBSLONKYAHYFX-DGCLKSJQSA-N -1 1 387.444 1.685 20 0 GDADMM CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735636266 599221961 /nfs/dbraw/zinc/22/19/61/599221961.db2.gz ROBSLONKYAHYFX-DGCLKSJQSA-N -1 1 387.444 1.685 20 0 GDADMM CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735636265 599222046 /nfs/dbraw/zinc/22/20/46/599222046.db2.gz ROBSLONKYAHYFX-AAEUAGOBSA-N -1 1 387.444 1.685 20 0 GDADMM CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735636265 599222047 /nfs/dbraw/zinc/22/20/47/599222047.db2.gz ROBSLONKYAHYFX-AAEUAGOBSA-N -1 1 387.444 1.685 20 0 GDADMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000534785438 596909016 /nfs/dbraw/zinc/90/90/16/596909016.db2.gz SPKHQYHIDDKHSL-UHFFFAOYSA-N -1 1 385.486 1.308 20 0 GDADMM CC(C)(C)NC(=O)CN1CCC(CNC(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000817803405 596921169 /nfs/dbraw/zinc/92/11/69/596921169.db2.gz SWQHIIKGWHJSGH-UHFFFAOYSA-N -1 1 382.505 1.119 20 0 GDADMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)/C=C\c1cccc(Br)c1 ZINC000739605588 596926609 /nfs/dbraw/zinc/92/66/09/596926609.db2.gz ARSOHVDPXRRRMQ-TWGQIWQCSA-N -1 1 391.287 1.698 20 0 GDADMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cc(-c3nn[nH]n3)ccc2C)cc1 ZINC000735459198 599235903 /nfs/dbraw/zinc/23/59/03/599235903.db2.gz YETNSSMXAKBDSB-UHFFFAOYSA-N -1 1 386.437 1.959 20 0 GDADMM O=C([O-])[C@@H]1CC(C(=O)Nc2ccn(-c3ccncc3)n2)=NN1c1ccccc1 ZINC000740476566 597017216 /nfs/dbraw/zinc/01/72/16/597017216.db2.gz VAYOEPVLLDHRLU-INIZCTEOSA-N -1 1 376.376 1.925 20 0 GDADMM C[C@H](NC(=O)C(=O)Nc1ccc(NC(=O)CN2CCCCCC2)cc1)C(=O)[O-] ZINC000818019065 597516193 /nfs/dbraw/zinc/51/61/93/597516193.db2.gz WMQCUMDQGVPORL-ZDUSSCGKSA-N -1 1 390.440 1.029 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCc2ccc(F)cc2C1 ZINC000823605798 607334004 /nfs/dbraw/zinc/33/40/04/607334004.db2.gz BEYXUXWOMSIKHE-UHFFFAOYSA-N -1 1 377.376 1.892 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCc2ccc(F)cc2C1 ZINC000823605798 607334005 /nfs/dbraw/zinc/33/40/05/607334005.db2.gz BEYXUXWOMSIKHE-UHFFFAOYSA-N -1 1 377.376 1.892 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H](C)[C@@H](C)N1CCOCC1 ZINC000737549393 598243047 /nfs/dbraw/zinc/24/30/47/598243047.db2.gz UTEYQSQLRLHHGV-QWHCGFSZSA-N -1 1 399.455 1.398 20 0 GDADMM CN(C(=O)c1cccc(C(=O)n2ncc(-c3nn[n-]n3)c2N)c1)c1ccccc1 ZINC000736742197 598258656 /nfs/dbraw/zinc/25/86/56/598258656.db2.gz NHWKWBGADJEOHB-UHFFFAOYSA-N -1 1 388.391 1.611 20 0 GDADMM CN(CCOc1ccc(Cl)cc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736802503 598260614 /nfs/dbraw/zinc/26/06/14/598260614.db2.gz TZJNNQADCTVDME-UHFFFAOYSA-N -1 1 394.844 1.615 20 0 GDADMM CN(CCOc1ccc(Cl)cc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736802503 598260616 /nfs/dbraw/zinc/26/06/16/598260616.db2.gz TZJNNQADCTVDME-UHFFFAOYSA-N -1 1 394.844 1.615 20 0 GDADMM COc1ccc(C(C)(C)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737074583 598270742 /nfs/dbraw/zinc/27/07/42/598270742.db2.gz XQAAXJFQFUSPPT-UHFFFAOYSA-N -1 1 388.453 1.526 20 0 GDADMM COc1ccc(C(C)(C)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737074583 598270744 /nfs/dbraw/zinc/27/07/44/598270744.db2.gz XQAAXJFQFUSPPT-UHFFFAOYSA-N -1 1 388.453 1.526 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)O[C@@H](C)C(=O)NCC(C)C ZINC000737546807 598297758 /nfs/dbraw/zinc/29/77/58/598297758.db2.gz GFNCPAIWDZOUDN-LBPRGKRZSA-N -1 1 386.412 1.876 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)O[C@@H](C)C(=O)NCC(C)C ZINC000737546807 598297760 /nfs/dbraw/zinc/29/77/60/598297760.db2.gz GFNCPAIWDZOUDN-LBPRGKRZSA-N -1 1 386.412 1.876 20 0 GDADMM Brc1cccc([C@@H]2CN(c3nccnc3-c3nnn[n-]3)CCO2)c1 ZINC000735368151 598349448 /nfs/dbraw/zinc/34/94/48/598349448.db2.gz GLLUWIKDBSUCEE-LBPRGKRZSA-N -1 1 388.229 1.997 20 0 GDADMM Brc1cccc([C@@H]2CN(c3nccnc3-c3nn[n-]n3)CCO2)c1 ZINC000735368151 598349449 /nfs/dbraw/zinc/34/94/49/598349449.db2.gz GLLUWIKDBSUCEE-LBPRGKRZSA-N -1 1 388.229 1.997 20 0 GDADMM Brc1ccccc1[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1 ZINC000735367944 598351136 /nfs/dbraw/zinc/35/11/36/598351136.db2.gz BWFQRSOIFMBNAG-LBPRGKRZSA-N -1 1 388.229 1.997 20 0 GDADMM Brc1ccccc1[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1 ZINC000735367944 598351138 /nfs/dbraw/zinc/35/11/38/598351138.db2.gz BWFQRSOIFMBNAG-LBPRGKRZSA-N -1 1 388.229 1.997 20 0 GDADMM Cc1oc(NC(=O)[C@H](C)N2CCn3c(nnc3C3CC3)C2)c(-c2nn[n-]n2)c1C ZINC000737551468 598375851 /nfs/dbraw/zinc/37/58/51/598375851.db2.gz HLTWUCIHQRDBPQ-JTQLQIEISA-N -1 1 397.443 1.388 20 0 GDADMM CCc1nn(CC(=O)N[C@@H](C)CCCC(C)C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706584 598378449 /nfs/dbraw/zinc/37/84/49/598378449.db2.gz XZDWYQQPSRSQOI-ZDUSSCGKSA-N -1 1 389.504 1.879 20 0 GDADMM O=S1(=O)CC[C@@H](Cc2nnc(Sc3cccc(F)c3-c3nnn[n-]3)o2)C1 ZINC000738358750 598487655 /nfs/dbraw/zinc/48/76/55/598487655.db2.gz XAJNDAPIUWIBFQ-QMMMGPOBSA-N -1 1 396.429 1.517 20 0 GDADMM O=S1(=O)CC[C@@H](Cc2nnc(Sc3cccc(F)c3-c3nn[n-]n3)o2)C1 ZINC000738358750 598487657 /nfs/dbraw/zinc/48/76/57/598487657.db2.gz XAJNDAPIUWIBFQ-QMMMGPOBSA-N -1 1 396.429 1.517 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H](c2ccc(F)cc2)C2CCCC2)n(C)c1=O ZINC000737595745 598521603 /nfs/dbraw/zinc/52/16/03/598521603.db2.gz KRNDXQDQVALCAC-OAHLLOKOSA-N -1 1 399.430 1.747 20 0 GDADMM Cc1cc(Oc2ncccc2-c2nn[n-]n2)ccc1NC(=O)C(=O)N[C@@H]1C[C@@H]1C ZINC000737280961 598536091 /nfs/dbraw/zinc/53/60/91/598536091.db2.gz WGZPEBFYEHMIOU-XHDPSFHLSA-N -1 1 393.407 1.826 20 0 GDADMM CN(C)S(=O)(=O)c1ccc(OC(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC000736769712 598542095 /nfs/dbraw/zinc/54/20/95/598542095.db2.gz ALEYKSQDFIFYSB-UHFFFAOYSA-N -1 1 379.423 1.398 20 0 GDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(C)c1ccc(-c2nn[nH]n2)cc1F ZINC000737489562 598567049 /nfs/dbraw/zinc/56/70/49/598567049.db2.gz ZEXWFSXTIWGJLW-UHFFFAOYSA-N -1 1 396.386 1.576 20 0 GDADMM CS(=O)(=O)c1ccc(-c2nc(Cn3cnc(-c4nn[n-]n4)n3)cs2)cc1 ZINC000737172645 598580905 /nfs/dbraw/zinc/58/09/05/598580905.db2.gz DOOGMTRTYBTPSE-UHFFFAOYSA-N -1 1 388.438 1.034 20 0 GDADMM Brc1cnn(C2CCN(c3nccnc3-c3nnn[n-]3)CC2)c1 ZINC000735374588 598593203 /nfs/dbraw/zinc/59/32/03/598593203.db2.gz FDPINXHJLNTTRS-UHFFFAOYSA-N -1 1 376.222 1.457 20 0 GDADMM Brc1cnn(C2CCN(c3nccnc3-c3nn[n-]n3)CC2)c1 ZINC000735374588 598593204 /nfs/dbraw/zinc/59/32/04/598593204.db2.gz FDPINXHJLNTTRS-UHFFFAOYSA-N -1 1 376.222 1.457 20 0 GDADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[nH]n3)c2)cc1C(N)=O ZINC000737370551 598593684 /nfs/dbraw/zinc/59/36/84/598593684.db2.gz ROXOXENBRHJIAM-UHFFFAOYSA-N -1 1 376.373 1.214 20 0 GDADMM O=C1OCc2c1cccc2S(=O)(=O)[N-]c1ccc(F)c(-c2nn[nH]n2)c1 ZINC000738313330 598594471 /nfs/dbraw/zinc/59/44/71/598594471.db2.gz HIJICOMIOCSWDP-UHFFFAOYSA-N -1 1 375.341 1.477 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCCc1cscn1 ZINC000737486145 598623315 /nfs/dbraw/zinc/62/33/15/598623315.db2.gz BCEFOYVUYKWHQG-UHFFFAOYSA-N -1 1 397.468 1.274 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCCc1cscn1 ZINC000737486145 598623317 /nfs/dbraw/zinc/62/33/17/598623317.db2.gz BCEFOYVUYKWHQG-UHFFFAOYSA-N -1 1 397.468 1.274 20 0 GDADMM CS(=O)(=O)c1ccc(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000737173842 598687014 /nfs/dbraw/zinc/68/70/14/598687014.db2.gz OEHQSZIDHXDNAD-UHFFFAOYSA-N -1 1 398.397 1.177 20 0 GDADMM Cc1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)no1 ZINC000737266316 598688187 /nfs/dbraw/zinc/68/81/87/598688187.db2.gz YKXCRWBAMLZYOO-AWEZNQCLSA-N -1 1 378.389 1.828 20 0 GDADMM Cn1ncc2c1CCC[C@@H]2NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737627638 598690699 /nfs/dbraw/zinc/69/06/99/598690699.db2.gz LHYDJDUBBUWJCB-ZDUSSCGKSA-N -1 1 377.405 1.095 20 0 GDADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)NCCOc1ccccc1 ZINC000737983479 598719801 /nfs/dbraw/zinc/71/98/01/598719801.db2.gz WKDBXJWUYSXFKR-UHFFFAOYSA-N -1 1 390.403 1.377 20 0 GDADMM O[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)COc1ccc2c(c1)OCO2 ZINC000738386007 598746802 /nfs/dbraw/zinc/74/68/02/598746802.db2.gz KSUPKJJALHPVMS-SSDOTTSWSA-N -1 1 396.816 1.557 20 0 GDADMM O[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)COc1ccc2c(c1)OCO2 ZINC000738386007 598746804 /nfs/dbraw/zinc/74/68/04/598746804.db2.gz KSUPKJJALHPVMS-SSDOTTSWSA-N -1 1 396.816 1.557 20 0 GDADMM Cn1cc([C@@H]2CCN(S(=O)(=O)c3ccc(Cl)cc3-c3nn[n-]n3)C2)cn1 ZINC000737606037 599295580 /nfs/dbraw/zinc/29/55/80/599295580.db2.gz PQZQZIYKFATBBS-SNVBAGLBSA-N -1 1 393.860 1.432 20 0 GDADMM O=C([C@H]1CCCS1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000822918031 599317805 /nfs/dbraw/zinc/31/78/05/599317805.db2.gz XZXORWPGAIKBHD-LLVKDONJSA-N -1 1 375.458 1.276 20 0 GDADMM 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CN(C[C@H]1CCN(CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1)C(=O)[O-] ZINC000739661780 602531332 /nfs/dbraw/zinc/53/13/32/602531332.db2.gz XSGXESOHHTZKBS-OAHLLOKOSA-N -1 1 378.448 1.406 20 0 GDADMM CN(C[C@H]1CCN(CC(=O)NCCc2nc3ccccc3s2)C1)C(=O)[O-] ZINC000739662028 602537435 /nfs/dbraw/zinc/53/74/35/602537435.db2.gz WIEGGLXFPWDYNU-CYBMUJFWSA-N -1 1 376.482 1.887 20 0 GDADMM CN(C[C@@H]1CCN(CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C1)C(=O)[O-] ZINC000739659466 602541143 /nfs/dbraw/zinc/54/11/43/602541143.db2.gz CTZPQYJPUVGHEZ-IVKJLDKCSA-N -1 1 392.500 1.713 20 0 GDADMM CCCN(CC(=O)N1CCC(C(=O)N2CCCC2)CC1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739347184 602543960 /nfs/dbraw/zinc/54/39/60/602543960.db2.gz DFXODAYUBCXULM-KRWDZBQOSA-N -1 1 394.516 1.312 20 0 GDADMM CCCN(CC(=O)NC[C@H]1COc2ccccc2O1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739352615 602545174 /nfs/dbraw/zinc/54/51/74/602545174.db2.gz DROAVXWJAFYEGY-GJZGRUSLSA-N -1 1 377.441 1.407 20 0 GDADMM CN1CCN(C[C@@H](NC(=O)NC[C@@H]2CCCN2C(=O)[O-])c2ccccc2)CC1 ZINC000739736232 602605889 /nfs/dbraw/zinc/60/58/89/602605889.db2.gz CUFYKCMNRTVMDF-ZWKOTPCHSA-N -1 1 389.500 1.417 20 0 GDADMM Cc1cccc(N2CCN(CCCNC(=O)N(C)[C@@H](C)CNC(=O)[O-])CC2)c1 ZINC000740167581 602617060 /nfs/dbraw/zinc/61/70/60/602617060.db2.gz AVUYXMIISTWALF-KRWDZBQOSA-N -1 1 391.516 1.805 20 0 GDADMM COc1ccnc(N2CCN(C(=O)NC[C@@H]3CCCCN3C(=O)[O-])CC2)c1 ZINC000739986033 602624711 /nfs/dbraw/zinc/62/47/11/602624711.db2.gz QAYDSDBJOONGFP-AWEZNQCLSA-N -1 1 377.445 1.454 20 0 GDADMM CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)NCCN(C)C(=O)[O-])CC1 ZINC000739458755 602629567 /nfs/dbraw/zinc/62/95/67/602629567.db2.gz WVSLASPNTWUKLU-AWEZNQCLSA-N -1 1 395.479 1.938 20 0 GDADMM COc1cc(C(C)=O)ccc1OS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826177409 607577118 /nfs/dbraw/zinc/57/71/18/607577118.db2.gz HCCDMRFDGZVCOT-UHFFFAOYSA-N -1 1 392.368 1.985 20 0 GDADMM O=S(=O)(NC[C@H]1COc2ccccc2C1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826490626 607581198 /nfs/dbraw/zinc/58/11/98/607581198.db2.gz BNESDHRQKMCFTP-NSHDSACASA-N -1 1 389.412 1.535 20 0 GDADMM O=S(=O)(NC[C@H]1COc2ccccc2C1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826490626 607581199 /nfs/dbraw/zinc/58/11/99/607581199.db2.gz BNESDHRQKMCFTP-NSHDSACASA-N -1 1 389.412 1.535 20 0 GDADMM CN1CCN(c2cc(CNC(=O)NCC[C@H]3CCN(C(=O)[O-])C3)ccn2)CC1 ZINC000739735906 602697014 /nfs/dbraw/zinc/69/70/14/602697014.db2.gz GOHCQYAYMHXWIQ-HNNXBMFYSA-N -1 1 390.488 1.023 20 0 GDADMM CN(C(=O)CN1CCN(C[C@@H]2CCCN(C(=O)[O-])C2)CC1)C1CCCCC1 ZINC000739571140 602705483 /nfs/dbraw/zinc/70/54/83/602705483.db2.gz ASNAHJNLXLNVAI-KRWDZBQOSA-N -1 1 380.533 1.785 20 0 GDADMM COC1(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)CCN(C(=O)[O-])CC1 ZINC000739797789 602723859 /nfs/dbraw/zinc/72/38/59/602723859.db2.gz SKZLNXMZZAHDEX-UHFFFAOYSA-N -1 1 376.457 1.536 20 0 GDADMM Cc1cccc(CN2CCN(C(=O)CN3CC[C@@H](NC(=O)[O-])[C@@H](C)C3)CC2)c1 ZINC000740172168 602770599 /nfs/dbraw/zinc/77/05/99/602770599.db2.gz XLWOXDOMUBPXRZ-PKOBYXMFSA-N -1 1 388.512 1.617 20 0 GDADMM O=C([O-])Nc1cc(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)ccc1F ZINC000740695681 602771866 /nfs/dbraw/zinc/77/18/66/602771866.db2.gz MASXQAUYJNMKQG-AWEZNQCLSA-N -1 1 380.420 1.052 20 0 GDADMM COCCN(Cc1ccco1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826159874 607585193 /nfs/dbraw/zinc/58/51/93/607585193.db2.gz WEZJTDJXWJHMSL-UHFFFAOYSA-N -1 1 397.844 1.950 20 0 GDADMM COCCN(Cc1ccco1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826159874 607585194 /nfs/dbraw/zinc/58/51/94/607585194.db2.gz WEZJTDJXWJHMSL-UHFFFAOYSA-N -1 1 397.844 1.950 20 0 GDADMM O=S(=O)(NC[C@@H]1Cc2ccccc2O1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826491008 607586580 /nfs/dbraw/zinc/58/65/80/607586580.db2.gz QCHCZHXDABOTPN-NSHDSACASA-N -1 1 375.385 1.288 20 0 GDADMM O=S(=O)(NC[C@@H]1Cc2ccccc2O1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826491008 607586582 /nfs/dbraw/zinc/58/65/82/607586582.db2.gz QCHCZHXDABOTPN-NSHDSACASA-N -1 1 375.385 1.288 20 0 GDADMM C[C@@H]1CN(C(=O)NC2CCN(Cc3ccccn3)CC2)CC[C@H]1NC(=O)[O-] ZINC000739136297 602818498 /nfs/dbraw/zinc/81/84/98/602818498.db2.gz RIOPVACHPJFMBM-RHSMWYFYSA-N -1 1 375.473 1.734 20 0 GDADMM O=C([O-])N1CCOC[C@@H]1C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000740404496 602828241 /nfs/dbraw/zinc/82/82/41/602828241.db2.gz AULQWSPLRVZTKQ-HZPDHXFCSA-N -1 1 381.860 1.972 20 0 GDADMM C[C@H](CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)Cn1cccn1 ZINC000824427016 607589577 /nfs/dbraw/zinc/58/95/77/607589577.db2.gz JVCMAUKWJWGGPJ-SNVBAGLBSA-N -1 1 381.849 1.331 20 0 GDADMM C[C@H](CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)Cn1cccn1 ZINC000824427016 607589578 /nfs/dbraw/zinc/58/95/78/607589578.db2.gz JVCMAUKWJWGGPJ-SNVBAGLBSA-N -1 1 381.849 1.331 20 0 GDADMM O=C([O-])N1CCOC[C@@H]1C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000740406825 602845828 /nfs/dbraw/zinc/84/58/28/602845828.db2.gz WJMPCNSBVZDBBH-JKSUJKDBSA-N -1 1 381.860 1.972 20 0 GDADMM COc1ccccc1[C@@H](CNC(=O)[C@H]1COCCN1C(=O)[O-])N1CCCCC1 ZINC000739959340 602856746 /nfs/dbraw/zinc/85/67/46/602856746.db2.gz NVLXBDRPJLIJNS-IAGOWNOFSA-N -1 1 391.468 1.717 20 0 GDADMM O=S(=O)(NCc1cccc2c1OCO2)c1cccc(F)c1-c1nnn[n-]1 ZINC000826491945 607594618 /nfs/dbraw/zinc/59/46/18/607594618.db2.gz LDYLXIGODJHLDL-UHFFFAOYSA-N -1 1 377.357 1.213 20 0 GDADMM O=S(=O)(NCc1cccc2c1OCO2)c1cccc(F)c1-c1nn[n-]n1 ZINC000826491945 607594619 /nfs/dbraw/zinc/59/46/19/607594619.db2.gz LDYLXIGODJHLDL-UHFFFAOYSA-N -1 1 377.357 1.213 20 0 GDADMM CN1CCN(c2cc(C(=O)N[C@H]3CCCC[C@H]3CNC(=O)[O-])ccn2)CC1 ZINC000739736562 602989008 /nfs/dbraw/zinc/98/90/08/602989008.db2.gz NCOKXXRKSASGFP-HOTGVXAUSA-N -1 1 375.473 1.390 20 0 GDADMM C[C@@H](NC(=O)CN1CCN(C(=O)[O-])CC1=O)c1nc2ccc(Cl)cc2[nH]1 ZINC000738963674 603006012 /nfs/dbraw/zinc/00/60/12/603006012.db2.gz YHFXOVXTKRIMFY-SECBINFHSA-N -1 1 379.804 1.216 20 0 GDADMM C[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)C(=O)N1CCCC[C@H]1C ZINC000824640975 607604320 /nfs/dbraw/zinc/60/43/20/607604320.db2.gz QKEMVYIZVSALJL-MNOVXSKESA-N -1 1 396.448 1.074 20 0 GDADMM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000740406039 603069895 /nfs/dbraw/zinc/06/98/95/603069895.db2.gz OHHIPRKBTHKKER-OWCLPIDISA-N -1 1 381.860 1.706 20 0 GDADMM O=C(CNC(=O)c1cc2c(s1)CCCC2)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826411634 607606286 /nfs/dbraw/zinc/60/62/86/607606286.db2.gz GVMXWNFXMDYXKK-UHFFFAOYSA-N -1 1 398.448 1.675 20 0 GDADMM O=C(CNC(=O)c1cc2c(s1)CCCC2)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826411634 607606290 /nfs/dbraw/zinc/60/62/90/607606290.db2.gz GVMXWNFXMDYXKK-UHFFFAOYSA-N -1 1 398.448 1.675 20 0 GDADMM C[C@@H](CNC(=O)C1(c2ccccc2)CCN(C(=O)[O-])CC1)N1CCN(C)CC1 ZINC000738916301 603117327 /nfs/dbraw/zinc/11/73/27/603117327.db2.gz PPTDEXPJFKCKOU-KRWDZBQOSA-N -1 1 388.512 1.450 20 0 GDADMM C[C@@H]1CN(C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)CC[C@@H]1NC(=O)[O-] ZINC000739150536 603127124 /nfs/dbraw/zinc/12/71/24/603127124.db2.gz WZUOJGBUJNBXLG-MFKMUULPSA-N -1 1 376.392 1.798 20 0 GDADMM C[C@@H]1CN(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)CC[C@@H]1NC(=O)[O-] ZINC000739150536 603127128 /nfs/dbraw/zinc/12/71/28/603127128.db2.gz WZUOJGBUJNBXLG-MFKMUULPSA-N -1 1 376.392 1.798 20 0 GDADMM COc1ccc(-c2n[nH]c(CNC(=O)N3C[C@H](C)N(C(=O)[O-])[C@@H](C)C3)n2)cc1 ZINC000739879004 603127602 /nfs/dbraw/zinc/12/76/02/603127602.db2.gz JXPDDAFHEFJENZ-RYUDHWBXSA-N -1 1 388.428 1.763 20 0 GDADMM COc1ccc(-c2nc(CNC(=O)N3C[C@H](C)N(C(=O)[O-])[C@@H](C)C3)n[nH]2)cc1 ZINC000739879004 603127605 /nfs/dbraw/zinc/12/76/05/603127605.db2.gz JXPDDAFHEFJENZ-RYUDHWBXSA-N -1 1 388.428 1.763 20 0 GDADMM CC(C)(C(=O)NC[C@H](c1ccco1)N1CCCC1)N1CCN(C(=O)[O-])CC1 ZINC000738647553 603131581 /nfs/dbraw/zinc/13/15/81/603131581.db2.gz BOSNLAVESKRTAJ-OAHLLOKOSA-N -1 1 378.473 1.607 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@H](c2ccccc2)C(C)(C)CO)n1 ZINC000826356669 607620522 /nfs/dbraw/zinc/62/05/22/607620522.db2.gz AKBVDYPCNCGQKV-CQSZACIVSA-N -1 1 384.444 1.524 20 0 GDADMM Cc1c(NC(=O)[C@H](C)N(C)CCCNC(=O)[O-])c(=O)n(-c2ccccc2)n1C ZINC000740047428 603250047 /nfs/dbraw/zinc/25/00/47/603250047.db2.gz UPAXELSKNSQCAZ-AWEZNQCLSA-N -1 1 389.456 1.401 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@H](c2ccccc2)C(C)(C)CO)n1 ZINC000826356669 607620523 /nfs/dbraw/zinc/62/05/23/607620523.db2.gz AKBVDYPCNCGQKV-CQSZACIVSA-N -1 1 384.444 1.524 20 0 GDADMM CN(CCCNC(=O)[O-])CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000739675898 603254583 /nfs/dbraw/zinc/25/45/83/603254583.db2.gz GMDMFNHRGUYGQY-UHFFFAOYSA-N -1 1 382.505 1.217 20 0 GDADMM CC(C)(O)CN1CCN(C(=O)Nc2cccc3c2CCN(C(=O)[O-])C3)CC1 ZINC000738758033 603289779 /nfs/dbraw/zinc/28/97/79/603289779.db2.gz OYSUIWZFTSUIQT-UHFFFAOYSA-N -1 1 376.457 1.643 20 0 GDADMM O=C([O-])N[C@H](Cc1ccccc1)C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000740537305 603311408 /nfs/dbraw/zinc/31/14/08/603311408.db2.gz UPNMRRIJMBEVMI-GOSISDBHSA-N -1 1 375.469 1.436 20 0 GDADMM O=S(=O)(NC[C@H](O)c1ccccc1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826489395 607622439 /nfs/dbraw/zinc/62/24/39/607622439.db2.gz OKWYFHRLUHWWHT-LBPRGKRZSA-N -1 1 379.829 1.532 20 0 GDADMM O=S(=O)(NC[C@H](O)c1ccccc1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826489395 607622440 /nfs/dbraw/zinc/62/24/40/607622440.db2.gz OKWYFHRLUHWWHT-LBPRGKRZSA-N -1 1 379.829 1.532 20 0 GDADMM COc1ccc([C@@H](O)CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826188542 607626228 /nfs/dbraw/zinc/62/62/28/607626228.db2.gz AAMDDRRCKMPUOE-ZDUSSCGKSA-N -1 1 393.400 1.026 20 0 GDADMM COc1ccc([C@@H](O)CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826188542 607626229 /nfs/dbraw/zinc/62/62/29/607626229.db2.gz AAMDDRRCKMPUOE-ZDUSSCGKSA-N -1 1 393.400 1.026 20 0 GDADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N(C)[C@H](C)CNC(=O)[O-] ZINC000827418352 603393634 /nfs/dbraw/zinc/39/36/34/603393634.db2.gz NQEHMSYMEMWRSB-CQSZACIVSA-N -1 1 393.488 1.957 20 0 GDADMM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)CSc1n[nH]c(=S)s1 ZINC000826115690 603492410 /nfs/dbraw/zinc/49/24/10/603492410.db2.gz JVZFCOWPMNAQBS-RNFRBKRXSA-N -1 1 378.501 1.539 20 0 GDADMM CN(CC(=O)N1CCN(C(=O)[O-])CC1)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000828095402 603546475 /nfs/dbraw/zinc/54/64/75/603546475.db2.gz GJBOGHHMOPZBIF-UHFFFAOYSA-N -1 1 386.493 1.291 20 0 GDADMM C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)[C@@H](O)c1ccc(F)cc1 ZINC000824641611 607636745 /nfs/dbraw/zinc/63/67/45/607636745.db2.gz XKWZATJNHCCMEJ-RFAUZJTJSA-N -1 1 395.391 1.545 20 0 GDADMM C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)[C@@H](O)c1ccc(F)cc1 ZINC000824641611 607636747 /nfs/dbraw/zinc/63/67/47/607636747.db2.gz XKWZATJNHCCMEJ-RFAUZJTJSA-N -1 1 395.391 1.545 20 0 GDADMM CC[C@H](C)[C@@H](O)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825061507 607637119 /nfs/dbraw/zinc/63/71/19/607637119.db2.gz XSVNFLRHROUKFQ-KWQFWETISA-N -1 1 393.391 1.571 20 0 GDADMM O=S(=O)(N[C@@H](CO)c1ccc(F)cc1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826487109 607640016 /nfs/dbraw/zinc/64/00/16/607640016.db2.gz DGEJMGYXVJGIHK-LBPRGKRZSA-N -1 1 381.364 1.157 20 0 GDADMM O=S(=O)(N[C@@H](CO)c1ccc(F)cc1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826487109 607640017 /nfs/dbraw/zinc/64/00/17/607640017.db2.gz DGEJMGYXVJGIHK-LBPRGKRZSA-N -1 1 381.364 1.157 20 0 GDADMM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000831629162 603636097 /nfs/dbraw/zinc/63/60/97/603636097.db2.gz YAQASXXUGQCHEU-DAXOMENPSA-N -1 1 381.860 1.706 20 0 GDADMM O=S(=O)(NC[C@@H](O)c1c(F)cccc1F)c1cccc(F)c1-c1nnn[n-]1 ZINC000826489382 607643501 /nfs/dbraw/zinc/64/35/01/607643501.db2.gz NZQIPGCSBLFJOV-LLVKDONJSA-N -1 1 399.354 1.296 20 0 GDADMM O=S(=O)(NC[C@@H](O)c1c(F)cccc1F)c1cccc(F)c1-c1nn[n-]n1 ZINC000826489382 607643503 /nfs/dbraw/zinc/64/35/03/607643503.db2.gz NZQIPGCSBLFJOV-LLVKDONJSA-N -1 1 399.354 1.296 20 0 GDADMM CN(C)[C@H](CNC(=O)C(=O)Nc1cccc(CNC(=O)[O-])c1)c1cccs1 ZINC000827994684 603685107 /nfs/dbraw/zinc/68/51/07/603685107.db2.gz MXIXPBYVZIXXTN-CQSZACIVSA-N -1 1 390.465 1.873 20 0 GDADMM CC1(C)[C@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)[C@H]2CCCO[C@H]21 ZINC000824788623 607646095 /nfs/dbraw/zinc/64/60/95/607646095.db2.gz BRXJHFZUGNNRSZ-OWYVNGRQSA-N -1 1 381.433 1.488 20 0 GDADMM CC1(C)[C@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)[C@H]2CCCO[C@H]21 ZINC000824788623 607646097 /nfs/dbraw/zinc/64/60/97/607646097.db2.gz BRXJHFZUGNNRSZ-OWYVNGRQSA-N -1 1 381.433 1.488 20 0 GDADMM O=C([O-])NCC1CCN(C(=O)CCN2CCN(c3ccccn3)CC2)CC1 ZINC000832584212 603715758 /nfs/dbraw/zinc/71/57/58/603715758.db2.gz UPLIMLZMSHIZCV-UHFFFAOYSA-N -1 1 375.473 1.100 20 0 GDADMM O=C([O-])NC1(C(=O)NCc2n[nH]c(-c3ccccc3)n2)Cc2ccccc2C1 ZINC000832173115 603723671 /nfs/dbraw/zinc/72/36/71/603723671.db2.gz SAXAYBWTUGPDMA-UHFFFAOYSA-N -1 1 377.404 1.893 20 0 GDADMM O=C([O-])NC1(C(=O)NCc2nc(-c3ccccc3)n[nH]2)Cc2ccccc2C1 ZINC000832173115 603723678 /nfs/dbraw/zinc/72/36/78/603723678.db2.gz SAXAYBWTUGPDMA-UHFFFAOYSA-N -1 1 377.404 1.893 20 0 GDADMM C[C@H](NC(=O)CCN1CCN(c2ccccn2)CC1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000825116232 603728919 /nfs/dbraw/zinc/72/89/19/603728919.db2.gz ZKSJZWQFZMDIKP-DLBZAZTESA-N -1 1 389.500 1.488 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCSc2ncccc21 ZINC000826495343 607648172 /nfs/dbraw/zinc/64/81/72/607648172.db2.gz MOSMCXMXFQEQJR-UHFFFAOYSA-N -1 1 378.414 1.702 20 0 GDADMM 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ZINC000833833624 605900535 /nfs/dbraw/zinc/90/05/35/605900535.db2.gz YVHRPBCADWOZBN-GJZGRUSLSA-N -1 1 376.457 1.440 20 0 GDADMM C[C@H]1C[C@H](CNC(=O)[O-])CN1CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000833833432 605902345 /nfs/dbraw/zinc/90/23/45/605902345.db2.gz YAIZHHNEKTZPCI-NWDGAFQWSA-N -1 1 392.412 1.084 20 0 GDADMM O=C([O-])N1CCC2(C[C@H]2C(=O)N2CCC(CCN3CCOCC3)CC2)CC1 ZINC000834086310 605910060 /nfs/dbraw/zinc/91/00/60/605910060.db2.gz BYEQUQIMGAWURB-KRWDZBQOSA-N -1 1 379.501 1.727 20 0 GDADMM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000834095341 605963810 /nfs/dbraw/zinc/96/38/10/605963810.db2.gz LZNCHJIAEHAKFI-FGTMMUONSA-N -1 1 391.443 1.942 20 0 GDADMM COC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)c1ccco1 ZINC000821684309 606115119 /nfs/dbraw/zinc/11/51/19/606115119.db2.gz XQORGFSRJVOKGW-SNVBAGLBSA-N -1 1 376.398 1.400 20 0 GDADMM C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820704459 606135173 /nfs/dbraw/zinc/13/51/73/606135173.db2.gz NZTHHQTXFLGZPF-ZJUUUORDSA-N -1 1 392.441 1.490 20 0 GDADMM C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820704459 606135175 /nfs/dbraw/zinc/13/51/75/606135175.db2.gz NZTHHQTXFLGZPF-ZJUUUORDSA-N -1 1 392.441 1.490 20 0 GDADMM COc1ccc(OC)c(NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821841196 606136614 /nfs/dbraw/zinc/13/66/14/606136614.db2.gz GESURYLIGPYWBR-UHFFFAOYSA-N -1 1 389.393 1.741 20 0 GDADMM COc1ccc(OC)c(NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821841196 606136616 /nfs/dbraw/zinc/13/66/16/606136616.db2.gz GESURYLIGPYWBR-UHFFFAOYSA-N -1 1 389.393 1.741 20 0 GDADMM COCc1ccc(CNC(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821695190 606139758 /nfs/dbraw/zinc/13/97/58/606139758.db2.gz NAPUSJWLMAMZCK-UHFFFAOYSA-N -1 1 387.421 1.548 20 0 GDADMM COCc1ccc(CNC(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821695190 606139760 /nfs/dbraw/zinc/13/97/60/606139760.db2.gz NAPUSJWLMAMZCK-UHFFFAOYSA-N -1 1 387.421 1.548 20 0 GDADMM CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821593927 606149420 /nfs/dbraw/zinc/14/94/20/606149420.db2.gz QNARYDKLWASHGJ-UHFFFAOYSA-N -1 1 389.460 1.885 20 0 GDADMM CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821593927 606149422 /nfs/dbraw/zinc/14/94/22/606149422.db2.gz QNARYDKLWASHGJ-UHFFFAOYSA-N -1 1 389.460 1.885 20 0 GDADMM CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC000821065660 606160464 /nfs/dbraw/zinc/16/04/64/606160464.db2.gz LKQCKERTYLTTCJ-NWDGAFQWSA-N -1 1 389.464 1.149 20 0 GDADMM CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC000821065660 606160465 /nfs/dbraw/zinc/16/04/65/606160465.db2.gz LKQCKERTYLTTCJ-NWDGAFQWSA-N -1 1 389.464 1.149 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2cccc(OCC(F)(F)F)c2)n1 ZINC000822620458 606163052 /nfs/dbraw/zinc/16/30/52/606163052.db2.gz RKMCEIABJHPBDT-UHFFFAOYSA-N -1 1 396.333 1.863 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2cccc(OCC(F)(F)F)c2)n1 ZINC000822620458 606163054 /nfs/dbraw/zinc/16/30/54/606163054.db2.gz RKMCEIABJHPBDT-UHFFFAOYSA-N -1 1 396.333 1.863 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2cc(F)ccc2Br)n1 ZINC000822620521 606163418 /nfs/dbraw/zinc/16/34/18/606163418.db2.gz UYUPMPMNMKTHLX-UHFFFAOYSA-N -1 1 395.196 1.824 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2cc(F)ccc2Br)n1 ZINC000822620521 606163419 /nfs/dbraw/zinc/16/34/19/606163419.db2.gz UYUPMPMNMKTHLX-UHFFFAOYSA-N -1 1 395.196 1.824 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H](c2nccs2)c2ccccc2)n1 ZINC000822610047 606164629 /nfs/dbraw/zinc/16/46/29/606164629.db2.gz ZVZQABQHRKEGQM-LBPRGKRZSA-N -1 1 381.425 1.968 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H](c2nccs2)c2ccccc2)n1 ZINC000822610047 606164630 /nfs/dbraw/zinc/16/46/30/606164630.db2.gz ZVZQABQHRKEGQM-LBPRGKRZSA-N -1 1 381.425 1.968 20 0 GDADMM COc1cc(CN(C)C(=O)Nc2nn(C)cc2-c2nnn[n-]2)ccc1SC ZINC000821711927 606168778 /nfs/dbraw/zinc/16/87/78/606168778.db2.gz BJLIPMFLIWQMPN-UHFFFAOYSA-N -1 1 388.457 1.995 20 0 GDADMM COc1cc(CN(C)C(=O)Nc2nn(C)cc2-c2nn[n-]n2)ccc1SC ZINC000821711927 606168779 /nfs/dbraw/zinc/16/87/79/606168779.db2.gz BJLIPMFLIWQMPN-UHFFFAOYSA-N -1 1 388.457 1.995 20 0 GDADMM CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC000821571680 606169900 /nfs/dbraw/zinc/16/99/00/606169900.db2.gz AHFOQFNJBGADFX-SNVBAGLBSA-N -1 1 391.436 1.073 20 0 GDADMM CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC000821571680 606169902 /nfs/dbraw/zinc/16/99/02/606169902.db2.gz AHFOQFNJBGADFX-SNVBAGLBSA-N -1 1 391.436 1.073 20 0 GDADMM Cc1cc(Br)ccc1CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000822160269 606173129 /nfs/dbraw/zinc/17/31/29/606173129.db2.gz GGEPSPUEZSDERT-UHFFFAOYSA-N -1 1 391.233 1.993 20 0 GDADMM Cc1cc(Br)ccc1CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000822160269 606173131 /nfs/dbraw/zinc/17/31/31/606173131.db2.gz GGEPSPUEZSDERT-UHFFFAOYSA-N -1 1 391.233 1.993 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC(OCC(F)F)C1 ZINC000822004099 606197003 /nfs/dbraw/zinc/19/70/03/606197003.db2.gz ABXXAORKRHRIJQ-UHFFFAOYSA-N -1 1 382.371 1.009 20 0 GDADMM C[C@H]1CCc2c(F)cccc2[C@H]1Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820728439 606200515 /nfs/dbraw/zinc/20/05/15/606200515.db2.gz VSOFDASSDDFJAR-XPTSAGLGSA-N -1 1 385.403 1.139 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)Nc2cnc3onc(C)c3c2)cc1-c1nn[n-]n1 ZINC000821976557 606280968 /nfs/dbraw/zinc/28/09/68/606280968.db2.gz BOZHGLFDSQJHIF-UHFFFAOYSA-N -1 1 384.381 1.786 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCSC(C)(C)C1 ZINC000822006008 606295856 /nfs/dbraw/zinc/29/58/56/606295856.db2.gz WYVRECCVRISORM-UHFFFAOYSA-N -1 1 376.486 1.871 20 0 GDADMM COCCN1C(=O)N[C@@H](c2ccc(-c3nn[n-]n3)s2)C(C(=O)N(C)C)=C1C ZINC000821690717 606393993 /nfs/dbraw/zinc/39/39/93/606393993.db2.gz WXXHKOJECCELQT-ZDUSSCGKSA-N -1 1 391.457 1.003 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1nc2ccccc2cc1CO ZINC000821601405 606443010 /nfs/dbraw/zinc/44/30/10/606443010.db2.gz FPANYEAPJHIFDQ-UHFFFAOYSA-N -1 1 379.428 1.282 20 0 GDADMM COCCNC(=O)[C@@H]1CC[C@H](C)N(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000821691358 606458651 /nfs/dbraw/zinc/45/86/51/606458651.db2.gz RKQLGTZPXZYUHF-WDEREUQCSA-N -1 1 379.852 1.283 20 0 GDADMM COCCNC(=O)[C@@H]1CC[C@H](C)N(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000821691358 606458652 /nfs/dbraw/zinc/45/86/52/606458652.db2.gz RKQLGTZPXZYUHF-WDEREUQCSA-N -1 1 379.852 1.283 20 0 GDADMM O=C(NCc1cccnc1)C1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000823261572 606463365 /nfs/dbraw/zinc/46/33/65/606463365.db2.gz OFRHAOXCNWXOID-UHFFFAOYSA-N -1 1 398.858 1.843 20 0 GDADMM O=C(NCc1cccnc1)C1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000823261572 606463366 /nfs/dbraw/zinc/46/33/66/606463366.db2.gz OFRHAOXCNWXOID-UHFFFAOYSA-N -1 1 398.858 1.843 20 0 GDADMM COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821669141 606487526 /nfs/dbraw/zinc/48/75/26/606487526.db2.gz ZKKYGERZTLFEDW-UHFFFAOYSA-N -1 1 387.377 1.754 20 0 GDADMM COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821669141 606487528 /nfs/dbraw/zinc/48/75/28/606487528.db2.gz ZKKYGERZTLFEDW-UHFFFAOYSA-N -1 1 387.377 1.754 20 0 GDADMM O=C(Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1)N1CCOCC1 ZINC000823323358 606511028 /nfs/dbraw/zinc/51/10/28/606511028.db2.gz LTELTJPYXWHIMD-UHFFFAOYSA-N -1 1 398.448 1.582 20 0 GDADMM O=C(Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1)N1CCOCC1 ZINC000823323358 606511029 /nfs/dbraw/zinc/51/10/29/606511029.db2.gz LTELTJPYXWHIMD-UHFFFAOYSA-N -1 1 398.448 1.582 20 0 GDADMM CC(C)(C)c1ccc(C(=O)NCCC(=O)Nc2n[nH]cc2-c2nnn[n-]2)cc1 ZINC000819958416 606531451 /nfs/dbraw/zinc/53/14/51/606531451.db2.gz KAKOZDVSNXMJDW-UHFFFAOYSA-N -1 1 382.428 1.646 20 0 GDADMM CC(C)(C)c1ccc(C(=O)NCCC(=O)Nc2n[nH]cc2-c2nn[n-]n2)cc1 ZINC000819958416 606531453 /nfs/dbraw/zinc/53/14/53/606531453.db2.gz KAKOZDVSNXMJDW-UHFFFAOYSA-N -1 1 382.428 1.646 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC[C@H]2CCCO[C@@H]2C(C)C)cc1-c1nn[n-]n1 ZINC000821978719 606585404 /nfs/dbraw/zinc/58/54/04/606585404.db2.gz MGBVFYXTPWTIGC-ZWNOBZJWSA-N -1 1 392.485 1.870 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC1CCC(C)(O)CC1 ZINC000822459778 606587423 /nfs/dbraw/zinc/58/74/23/606587423.db2.gz WAYWJCVWKMFBBN-UHFFFAOYSA-N -1 1 398.471 1.269 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC1CCC(C)(O)CC1 ZINC000822459778 606587425 /nfs/dbraw/zinc/58/74/25/606587425.db2.gz WAYWJCVWKMFBBN-UHFFFAOYSA-N -1 1 398.471 1.269 20 0 GDADMM CCc1nnsc1C(=O)[N-]c1ncn(Cc2ccc(-c3nn[nH]n3)cc2)n1 ZINC000821555046 606589650 /nfs/dbraw/zinc/58/96/50/606589650.db2.gz ZUOHQZRETABQCY-UHFFFAOYSA-N -1 1 382.413 1.173 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCc2csc(N3CCCC3)n2)n1 ZINC000822620615 606596315 /nfs/dbraw/zinc/59/63/15/606596315.db2.gz ZBUYPPCOXVVPAT-UHFFFAOYSA-N -1 1 388.461 1.021 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCc2csc(N3CCCC3)n2)n1 ZINC000822620615 606596316 /nfs/dbraw/zinc/59/63/16/606596316.db2.gz ZBUYPPCOXVVPAT-UHFFFAOYSA-N -1 1 388.461 1.021 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccccc2Cn2cccn2)n1 ZINC000822619628 606598132 /nfs/dbraw/zinc/59/81/32/606598132.db2.gz BQSLBALUHHTSES-UHFFFAOYSA-N -1 1 378.400 1.167 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccccc2Cn2cccn2)n1 ZINC000822619628 606598133 /nfs/dbraw/zinc/59/81/33/606598133.db2.gz BQSLBALUHHTSES-UHFFFAOYSA-N -1 1 378.400 1.167 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCO[C@H](c2ccco2)C1 ZINC000822004508 606622642 /nfs/dbraw/zinc/62/26/42/606622642.db2.gz IMSIKCRMSIRXJP-HNNXBMFYSA-N -1 1 398.423 1.710 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000823482924 606623629 /nfs/dbraw/zinc/62/36/29/606623629.db2.gz CGZRSJFSEKJJDZ-GHMZBOCLSA-N -1 1 391.478 1.954 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000823482924 606623631 /nfs/dbraw/zinc/62/36/31/606623631.db2.gz CGZRSJFSEKJJDZ-GHMZBOCLSA-N -1 1 391.478 1.954 20 0 GDADMM CCN(CC)C(=O)N1CCC(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC000821175274 606647028 /nfs/dbraw/zinc/64/70/28/606647028.db2.gz JIIMQKPRJOBARH-UHFFFAOYSA-N -1 1 387.444 1.479 20 0 GDADMM CCN(CC)C(=O)N1CCC(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC000821175274 606647029 /nfs/dbraw/zinc/64/70/29/606647029.db2.gz JIIMQKPRJOBARH-UHFFFAOYSA-N -1 1 387.444 1.479 20 0 GDADMM C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820254695 606647933 /nfs/dbraw/zinc/64/79/33/606647933.db2.gz UYZHWBVAPJXJHI-NSHDSACASA-N -1 1 376.417 1.808 20 0 GDADMM C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820254695 606647934 /nfs/dbraw/zinc/64/79/34/606647934.db2.gz UYZHWBVAPJXJHI-NSHDSACASA-N -1 1 376.417 1.808 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(Cl)c(N2CCNC2=O)c1 ZINC000823436482 606648569 /nfs/dbraw/zinc/64/85/69/606648569.db2.gz XQOMLGRVCYGWHY-UHFFFAOYSA-N -1 1 399.798 1.802 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(Cl)c(N2CCNC2=O)c1 ZINC000823436482 606648570 /nfs/dbraw/zinc/64/85/70/606648570.db2.gz XQOMLGRVCYGWHY-UHFFFAOYSA-N -1 1 399.798 1.802 20 0 GDADMM COc1ccc(C(=O)CCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1OC ZINC000821770118 606649282 /nfs/dbraw/zinc/64/92/82/606649282.db2.gz PEVPILGSSNWSBE-UHFFFAOYSA-N -1 1 397.391 1.985 20 0 GDADMM COc1ccc(C(=O)CCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1OC ZINC000821770118 606649283 /nfs/dbraw/zinc/64/92/83/606649283.db2.gz PEVPILGSSNWSBE-UHFFFAOYSA-N -1 1 397.391 1.985 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(=O)n(-c2cccc(F)c2)c1 ZINC000823436291 606649903 /nfs/dbraw/zinc/64/99/03/606649903.db2.gz OUPCXMSXXKCHLU-UHFFFAOYSA-N -1 1 392.350 1.909 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(=O)n(-c2cccc(F)c2)c1 ZINC000823436291 606649904 /nfs/dbraw/zinc/64/99/04/606649904.db2.gz OUPCXMSXXKCHLU-UHFFFAOYSA-N -1 1 392.350 1.909 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000823436410 606650035 /nfs/dbraw/zinc/65/00/35/606650035.db2.gz UMGKVRLABFFNMF-UHFFFAOYSA-N -1 1 389.375 1.224 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000823436410 606650036 /nfs/dbraw/zinc/65/00/36/606650036.db2.gz UMGKVRLABFFNMF-UHFFFAOYSA-N -1 1 389.375 1.224 20 0 GDADMM O=C(CCC(=O)N1CCOc2ccccc21)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822945343 606651121 /nfs/dbraw/zinc/65/11/21/606651121.db2.gz BORIGYHTDHDYBA-UHFFFAOYSA-N -1 1 394.391 1.511 20 0 GDADMM O=C(CCC(=O)N1CCOc2ccccc21)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822945343 606651122 /nfs/dbraw/zinc/65/11/22/606651122.db2.gz BORIGYHTDHDYBA-UHFFFAOYSA-N -1 1 394.391 1.511 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000823435909 606651463 /nfs/dbraw/zinc/65/14/63/606651463.db2.gz DGIMNBUYACCATF-HNNXBMFYSA-N -1 1 378.392 1.354 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000823435909 606651464 /nfs/dbraw/zinc/65/14/64/606651464.db2.gz DGIMNBUYACCATF-HNNXBMFYSA-N -1 1 378.392 1.354 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CCOC[C@H]2c2ccccc2)cc1-c1nn[n-]n1 ZINC000821971068 606658270 /nfs/dbraw/zinc/65/82/70/606658270.db2.gz XBADOULUYKWVNI-AWEZNQCLSA-N -1 1 398.448 1.903 20 0 GDADMM COC[C@@](C)(O)C(=O)Nc1ccc(Oc2ncccc2-c2nn[n-]n2)cc1C ZINC000821681904 606659147 /nfs/dbraw/zinc/65/91/47/606659147.db2.gz VEDXWRMAADRENU-GOSISDBHSA-N -1 1 384.396 1.698 20 0 GDADMM CCOCCC1(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCCC1 ZINC000821373922 606736089 /nfs/dbraw/zinc/73/60/89/606736089.db2.gz OJJHLLNCBSEUKV-UHFFFAOYSA-N -1 1 380.474 1.527 20 0 GDADMM CCOCCC1(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCCC1 ZINC000821373922 606736090 /nfs/dbraw/zinc/73/60/90/606736090.db2.gz OJJHLLNCBSEUKV-UHFFFAOYSA-N -1 1 380.474 1.527 20 0 GDADMM Cc1cccnc1NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000822369532 606768395 /nfs/dbraw/zinc/76/83/95/606768395.db2.gz JYDNSMMSVUVNMZ-GFCCVEGCSA-N -1 1 380.416 1.103 20 0 GDADMM Cc1cccnc1NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000822369532 606768396 /nfs/dbraw/zinc/76/83/96/606768396.db2.gz JYDNSMMSVUVNMZ-GFCCVEGCSA-N -1 1 380.416 1.103 20 0 GDADMM CCC1CCC(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)CC1 ZINC000820973219 606789460 /nfs/dbraw/zinc/78/94/60/606789460.db2.gz VDFSCYCREWIAMH-WLYUNCDWSA-N -1 1 399.503 1.846 20 0 GDADMM CCC1CCC(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)CC1 ZINC000820973219 606789462 /nfs/dbraw/zinc/78/94/62/606789462.db2.gz VDFSCYCREWIAMH-WLYUNCDWSA-N -1 1 399.503 1.846 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H](C)CCS(C)(=O)=O ZINC000822535196 606809394 /nfs/dbraw/zinc/80/93/94/606809394.db2.gz JFFOCDJLDAAJJN-SNVBAGLBSA-N -1 1 392.441 1.112 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H](C)CCS(C)(=O)=O ZINC000822535196 606809396 /nfs/dbraw/zinc/80/93/96/606809396.db2.gz JFFOCDJLDAAJJN-SNVBAGLBSA-N -1 1 392.441 1.112 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)n1 ZINC000822605068 606811408 /nfs/dbraw/zinc/81/14/08/606811408.db2.gz XBMIYTPEOOQEMN-UHFFFAOYSA-N -1 1 399.802 1.875 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)n1 ZINC000822605068 606811409 /nfs/dbraw/zinc/81/14/09/606811409.db2.gz XBMIYTPEOOQEMN-UHFFFAOYSA-N -1 1 399.802 1.875 20 0 GDADMM C[C@@H](CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1cccnc1 ZINC000820219160 606819378 /nfs/dbraw/zinc/81/93/78/606819378.db2.gz CSWAPJVUULTVBE-UONOGXRCSA-N -1 1 393.455 1.283 20 0 GDADMM C[C@@H](CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1cccnc1 ZINC000820219160 606819379 /nfs/dbraw/zinc/81/93/79/606819379.db2.gz CSWAPJVUULTVBE-UONOGXRCSA-N -1 1 393.455 1.283 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc2occc2s1 ZINC000820789028 606820163 /nfs/dbraw/zinc/82/01/63/606820163.db2.gz UBQPHIWBTBUHFO-SNVBAGLBSA-N -1 1 396.436 1.815 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc2occc2s1 ZINC000820789028 606820165 /nfs/dbraw/zinc/82/01/65/606820165.db2.gz UBQPHIWBTBUHFO-SNVBAGLBSA-N -1 1 396.436 1.815 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc2c(c1)CCC2 ZINC000820788788 606822035 /nfs/dbraw/zinc/82/20/35/606822035.db2.gz OHBMKDACXGAXPH-ZDUSSCGKSA-N -1 1 390.451 1.496 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc2c(c1)CCC2 ZINC000820788788 606822037 /nfs/dbraw/zinc/82/20/37/606822037.db2.gz OHBMKDACXGAXPH-ZDUSSCGKSA-N -1 1 390.451 1.496 20 0 GDADMM CCc1nc(C)c(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)s1 ZINC000821506366 606822341 /nfs/dbraw/zinc/82/23/41/606822341.db2.gz WVKVAOVLWHCFMK-SNVBAGLBSA-N -1 1 399.484 1.335 20 0 GDADMM CCc1nc(C)c(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)s1 ZINC000821506366 606822343 /nfs/dbraw/zinc/82/23/43/606822343.db2.gz WVKVAOVLWHCFMK-SNVBAGLBSA-N -1 1 399.484 1.335 20 0 GDADMM C[C@@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1ccsc1 ZINC000819854262 606822407 /nfs/dbraw/zinc/82/24/07/606822407.db2.gz BMPZNCXEXANNPD-VXGBXAGGSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1ccsc1 ZINC000819854262 606822408 /nfs/dbraw/zinc/82/24/08/606822408.db2.gz BMPZNCXEXANNPD-VXGBXAGGSA-N -1 1 384.469 1.559 20 0 GDADMM CCCCS[C@@H](C)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821077624 606823607 /nfs/dbraw/zinc/82/36/07/606823607.db2.gz NWBLWLSOXMGUAT-OLZOCXBDSA-N -1 1 390.517 1.616 20 0 GDADMM CCCCS[C@@H](C)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821077624 606823608 /nfs/dbraw/zinc/82/36/08/606823608.db2.gz NWBLWLSOXMGUAT-OLZOCXBDSA-N -1 1 390.517 1.616 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1scnc1Cl ZINC000820788858 606824797 /nfs/dbraw/zinc/82/47/97/606824797.db2.gz PRMYWXRLIINHFH-QMMMGPOBSA-N -1 1 391.848 1.118 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1scnc1Cl ZINC000820788858 606824798 /nfs/dbraw/zinc/82/47/98/606824798.db2.gz PRMYWXRLIINHFH-QMMMGPOBSA-N -1 1 391.848 1.118 20 0 GDADMM CCOc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cc1 ZINC000821416591 606825333 /nfs/dbraw/zinc/82/53/33/606825333.db2.gz BBKDTWPNBJSPSX-ZDUSSCGKSA-N -1 1 394.439 1.406 20 0 GDADMM CCOc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cc1 ZINC000821416591 606825335 /nfs/dbraw/zinc/82/53/35/606825335.db2.gz BBKDTWPNBJSPSX-ZDUSSCGKSA-N -1 1 394.439 1.406 20 0 GDADMM COc1ccccc1N1CC[C@@H](NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC000821897992 606836071 /nfs/dbraw/zinc/83/60/71/606836071.db2.gz LVBJPPLSBQZWBH-LLVKDONJSA-N -1 1 383.416 1.009 20 0 GDADMM COc1ccccc1N1CC[C@@H](NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC000821897992 606836072 /nfs/dbraw/zinc/83/60/72/606836072.db2.gz LVBJPPLSBQZWBH-LLVKDONJSA-N -1 1 383.416 1.009 20 0 GDADMM CCOCCN1C(=O)N[C@@H](c2ccc(-c3nnn[n-]3)o2)C(C(=O)OC)=C1C ZINC000821378128 606849570 /nfs/dbraw/zinc/84/95/70/606849570.db2.gz JEFNRGDXCGLLPT-ZDUSSCGKSA-N -1 1 376.373 1.010 20 0 GDADMM CCOCCN1C(=O)N[C@@H](c2ccc(-c3nn[n-]n3)o2)C(C(=O)OC)=C1C ZINC000821378128 606849572 /nfs/dbraw/zinc/84/95/72/606849572.db2.gz JEFNRGDXCGLLPT-ZDUSSCGKSA-N -1 1 376.373 1.010 20 0 GDADMM COCc1ccccc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821696003 606855467 /nfs/dbraw/zinc/85/54/67/606855467.db2.gz RHEWUKQWWIMGAI-CYBMUJFWSA-N -1 1 394.439 1.154 20 0 GDADMM COCc1ccccc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821696003 606855468 /nfs/dbraw/zinc/85/54/68/606855468.db2.gz RHEWUKQWWIMGAI-CYBMUJFWSA-N -1 1 394.439 1.154 20 0 GDADMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1cc(-c2nn[nH]n2)ccc1O ZINC000822183994 606865834 /nfs/dbraw/zinc/86/58/34/606865834.db2.gz NEJDDIYUFYIMJD-UHFFFAOYSA-N -1 1 375.366 1.380 20 0 GDADMM C[C@H]1c2cc(F)cc(F)c2CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820820408 606941195 /nfs/dbraw/zinc/94/11/95/606941195.db2.gz OKLGREPZFVDKIR-VIFPVBQESA-N -1 1 392.391 1.848 20 0 GDADMM C[C@H]1c2cc(F)cc(F)c2CCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820820408 606941197 /nfs/dbraw/zinc/94/11/97/606941197.db2.gz OKLGREPZFVDKIR-VIFPVBQESA-N -1 1 392.391 1.848 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1nc(C(F)(F)F)c[nH]1 ZINC000822010180 606969641 /nfs/dbraw/zinc/96/96/41/606969641.db2.gz RCCMMHZQYZRYFZ-UHFFFAOYSA-N -1 1 396.333 1.897 20 0 GDADMM CC(=O)Nc1cc(S(=O)(=O)Nc2cc(-c3nn[nH]n3)ccc2C)ccc1[O-] ZINC000819810748 607000246 /nfs/dbraw/zinc/00/02/46/607000246.db2.gz OTKYJMMTEFKOSD-UHFFFAOYSA-N -1 1 388.409 1.640 20 0 GDADMM CC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)c1 ZINC000820136880 607022909 /nfs/dbraw/zinc/02/29/09/607022909.db2.gz CVJGFGNBJJXUNX-UHFFFAOYSA-N -1 1 393.454 1.262 20 0 GDADMM CC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)c1 ZINC000820136880 607022911 /nfs/dbraw/zinc/02/29/11/607022911.db2.gz CVJGFGNBJJXUNX-UHFFFAOYSA-N -1 1 393.454 1.262 20 0 GDADMM Cc1nn(C)cc1[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000822496489 607051807 /nfs/dbraw/zinc/05/18/07/607051807.db2.gz ODSSYQDYOMFQJN-CQSZACIVSA-N -1 1 391.432 1.574 20 0 GDADMM CCOC(=O)[C@@H]1CCCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)C1 ZINC000821325704 607065361 /nfs/dbraw/zinc/06/53/61/607065361.db2.gz KLKGBDMFRMNFBB-CYBMUJFWSA-N -1 1 398.423 1.974 20 0 GDADMM CCOC(=O)[C@@H]1CCCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)C1 ZINC000821325704 607065363 /nfs/dbraw/zinc/06/53/63/607065363.db2.gz KLKGBDMFRMNFBB-CYBMUJFWSA-N -1 1 398.423 1.974 20 0 GDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1n[nH]c(C2CC2)c1Br ZINC000823380459 607108674 /nfs/dbraw/zinc/10/86/74/607108674.db2.gz YDWOEBXANRCZBQ-UHFFFAOYSA-N -1 1 381.219 1.939 20 0 GDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1n[nH]c(C2CC2)c1Br ZINC000823380459 607108675 /nfs/dbraw/zinc/10/86/75/607108675.db2.gz YDWOEBXANRCZBQ-UHFFFAOYSA-N -1 1 381.219 1.939 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@H]2CCC2CCCCC2)n(C)c1=O ZINC000822601424 607127923 /nfs/dbraw/zinc/12/79/23/607127923.db2.gz ZLTYSIXDWUEDGE-AWEZNQCLSA-N -1 1 387.488 1.593 20 0 GDADMM COCCN(Cc1ccc(C)o1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821690588 607129204 /nfs/dbraw/zinc/12/92/04/607129204.db2.gz RARIXACJTXQPMR-UHFFFAOYSA-N -1 1 378.414 1.000 20 0 GDADMM COCCN(Cc1ccc(C)o1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821690588 607129205 /nfs/dbraw/zinc/12/92/05/607129205.db2.gz RARIXACJTXQPMR-UHFFFAOYSA-N -1 1 378.414 1.000 20 0 GDADMM O=C(CS(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1)Nc1ccc(F)cc1[O-] ZINC000823055630 607160386 /nfs/dbraw/zinc/16/03/86/607160386.db2.gz UEHKRANWWOWUBS-UHFFFAOYSA-N -1 1 391.384 1.265 20 0 GDADMM Cc1cccc(Oc2ncccc2NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1C ZINC000822331650 607209818 /nfs/dbraw/zinc/20/98/18/607209818.db2.gz JFQHVITUMMOKDT-UHFFFAOYSA-N -1 1 391.395 1.901 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000823127042 607210363 /nfs/dbraw/zinc/21/03/63/607210363.db2.gz RDIXXWYKZBOMHW-UHFFFAOYSA-N -1 1 396.361 1.642 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(OCc2cccnc2)cc1 ZINC000823135936 607214447 /nfs/dbraw/zinc/21/44/47/607214447.db2.gz BCOXGAFRJCWBQM-UHFFFAOYSA-N -1 1 377.368 1.071 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000823127110 607215877 /nfs/dbraw/zinc/21/58/77/607215877.db2.gz UAEAYYSFNYULEI-SFHVURJKSA-N -1 1 386.419 1.633 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000823122472 607217886 /nfs/dbraw/zinc/21/78/86/607217886.db2.gz BSFOFNNTYMFDIO-UHFFFAOYSA-N -1 1 386.847 1.593 20 0 GDADMM Cc1ccc(C)c([C@H]2CN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)[C@@H](C)CO2)c1 ZINC000822232113 607219725 /nfs/dbraw/zinc/21/97/25/607219725.db2.gz UJQYOTWTJQDMSK-DZGCQCFKSA-N -1 1 382.428 1.064 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N(Cc1ccc(F)cc1)CC(F)(F)F ZINC000823123192 607239525 /nfs/dbraw/zinc/23/95/25/607239525.db2.gz RLBIFRCOSLXWLF-UHFFFAOYSA-N -1 1 384.297 1.188 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC[C@@]2(O)CCc3ccccc32)cc1-c1nn[n-]n1 ZINC000826229627 607781810 /nfs/dbraw/zinc/78/18/10/607781810.db2.gz LEYPVVJZEWTSKZ-SFHVURJKSA-N -1 1 398.448 1.253 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)Cc2ccc(OCc3ccccn3)cc2)n1 ZINC000826357185 607786902 /nfs/dbraw/zinc/78/69/02/607786902.db2.gz VEIFOUFZDOJHTP-UHFFFAOYSA-N -1 1 390.407 1.755 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)Cc2ccc(OCc3ccccn3)cc2)n1 ZINC000826357185 607786903 /nfs/dbraw/zinc/78/69/03/607786903.db2.gz VEIFOUFZDOJHTP-UHFFFAOYSA-N -1 1 390.407 1.755 20 0 GDADMM Cc1nc(NC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)cs1 ZINC000826326757 607813396 /nfs/dbraw/zinc/81/33/96/607813396.db2.gz CMEFUYYUHSQAMD-UHFFFAOYSA-N -1 1 383.441 1.862 20 0 GDADMM Cc1nc(NC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)cs1 ZINC000826326757 607813397 /nfs/dbraw/zinc/81/33/97/607813397.db2.gz CMEFUYYUHSQAMD-UHFFFAOYSA-N -1 1 383.441 1.862 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCC(c2ccccn2)CC1 ZINC000826495687 607818835 /nfs/dbraw/zinc/81/88/35/607818835.db2.gz XGLMTRWSJJBUBX-UHFFFAOYSA-N -1 1 388.428 1.969 20 0 GDADMM O=S(=O)(N[C@@H](CO)CC1CC1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826487639 607853411 /nfs/dbraw/zinc/85/34/11/607853411.db2.gz VIPAQXUATCYTCM-SNVBAGLBSA-N -1 1 391.375 1.325 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CC[C@H](C2CCOCC2)C1 ZINC000826495137 607853417 /nfs/dbraw/zinc/85/34/17/607853417.db2.gz DNMMIONVIHJJLP-LBPRGKRZSA-N -1 1 397.888 1.957 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CC[C@H](C2CCOCC2)C1 ZINC000826495137 607853418 /nfs/dbraw/zinc/85/34/18/607853418.db2.gz DNMMIONVIHJJLP-LBPRGKRZSA-N -1 1 397.888 1.957 20 0 GDADMM CS(=O)(=O)c1ccc(NC(=O)COc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826224048 607866160 /nfs/dbraw/zinc/86/61/60/607866160.db2.gz MBZJCMUKORYCEM-UHFFFAOYSA-N -1 1 391.384 1.427 20 0 GDADMM CS(=O)(=O)c1ccc(NC(=O)COc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826224048 607866161 /nfs/dbraw/zinc/86/61/61/607866161.db2.gz MBZJCMUKORYCEM-UHFFFAOYSA-N -1 1 391.384 1.427 20 0 GDADMM CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)c(F)c1 ZINC000823999949 607867568 /nfs/dbraw/zinc/86/75/68/607867568.db2.gz OGWIFVSOIUCGAG-UHFFFAOYSA-N -1 1 395.347 1.871 20 0 GDADMM CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)c(F)c1 ZINC000823999949 607867569 /nfs/dbraw/zinc/86/75/69/607867569.db2.gz OGWIFVSOIUCGAG-UHFFFAOYSA-N -1 1 395.347 1.871 20 0 GDADMM Cc1ccccc1[C@@H](OC[C@H](O)Cn1cnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000826305666 607869242 /nfs/dbraw/zinc/86/92/42/607869242.db2.gz FAKQKBNKAUJYMU-AEFFLSMTSA-N -1 1 391.435 1.934 20 0 GDADMM O=C1c2ccccc2C(=O)N1C[C@H](O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000826483243 607874977 /nfs/dbraw/zinc/87/49/77/607874977.db2.gz GORCMDAUSFSRRF-JTQLQIEISA-N -1 1 383.339 1.042 20 0 GDADMM O=C1c2ccccc2C(=O)N1C[C@H](O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000826483243 607874978 /nfs/dbraw/zinc/87/49/78/607874978.db2.gz GORCMDAUSFSRRF-JTQLQIEISA-N -1 1 383.339 1.042 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@@H]1CCCC(C)(C)C1 ZINC000825000737 607906228 /nfs/dbraw/zinc/90/62/28/607906228.db2.gz UEQSJUMPACMPPL-ZIAGYGMSSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@@H]1CCCC(C)(C)C1 ZINC000825000737 607906229 /nfs/dbraw/zinc/90/62/29/607906229.db2.gz UEQSJUMPACMPPL-ZIAGYGMSSA-N -1 1 384.488 1.910 20 0 GDADMM CSc1nc(C)c(CCC(=O)N2CCc3ccc(-c4nn[nH]n4)cc32)c(=O)[n-]1 ZINC000826231662 607947822 /nfs/dbraw/zinc/94/78/22/607947822.db2.gz UZMRCHROSAOAJR-UHFFFAOYSA-N -1 1 397.464 1.915 20 0 GDADMM O=C(CN1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1)Nc1ccccc1 ZINC000826410352 607988735 /nfs/dbraw/zinc/98/87/35/607988735.db2.gz KTGLDSRYYSEKRZ-UHFFFAOYSA-N -1 1 379.428 1.172 20 0 GDADMM Nc1n[nH]c(CCCNc2nccc(OCc3ccccc3)n2)c1-c1nn[n-]n1 ZINC000826395158 608015831 /nfs/dbraw/zinc/01/58/31/608015831.db2.gz OUKVBRMTCFXOGD-UHFFFAOYSA-N -1 1 392.427 1.586 20 0 GDADMM CC[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C[C@@H]1O ZINC000825212541 608025496 /nfs/dbraw/zinc/02/54/96/608025496.db2.gz SBPPIAAGYQSNBW-KCJUWKMLSA-N -1 1 391.375 1.277 20 0 GDADMM CCOC(=O)C[C@@H](C)CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000825498817 608040131 /nfs/dbraw/zinc/04/01/31/608040131.db2.gz CUVKYYXPVGYWOE-LLVKDONJSA-N -1 1 386.412 1.878 20 0 GDADMM CCOC(=O)C[C@@H](C)CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000825498817 608040132 /nfs/dbraw/zinc/04/01/32/608040132.db2.gz CUVKYYXPVGYWOE-LLVKDONJSA-N -1 1 386.412 1.878 20 0 GDADMM Cc1oc(NC(=O)CN2CCN(Cc3cccnc3)CC2)c(-c2nn[n-]n2)c1C ZINC000826341618 608079434 /nfs/dbraw/zinc/07/94/34/608079434.db2.gz MBFYGAHBJCOTPN-UHFFFAOYSA-N -1 1 396.455 1.228 20 0 GDADMM CC[C@H](C)n1ncc(Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)c1C1CC1 ZINC000825081656 608098612 /nfs/dbraw/zinc/09/86/12/608098612.db2.gz LNVBKILEDJRYQO-VIFPVBQESA-N -1 1 385.432 1.053 20 0 GDADMM Cc1oc(NC(=O)COC(=O)c2ccc(NC=O)cc2)c(-c2nn[n-]n2)c1C ZINC000826342624 608105276 /nfs/dbraw/zinc/10/52/76/608105276.db2.gz SSHIIEHWUOYHKX-UHFFFAOYSA-N -1 1 384.352 1.440 20 0 GDADMM CC(C)(C)[C@H]1C[C@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC000824077294 608111405 /nfs/dbraw/zinc/11/14/05/608111405.db2.gz AIOOWOAWIZLNSV-ZWNOBZJWSA-N -1 1 383.449 1.878 20 0 GDADMM CC(C)(C)[C@H]1C[C@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC000824077294 608111406 /nfs/dbraw/zinc/11/14/06/608111406.db2.gz AIOOWOAWIZLNSV-ZWNOBZJWSA-N -1 1 383.449 1.878 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)COc2ccccc2Br)n1 ZINC000826357226 608158506 /nfs/dbraw/zinc/15/85/06/608158506.db2.gz WOWFRSJFJWEUFD-UHFFFAOYSA-N -1 1 378.190 1.380 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)COc2ccccc2Br)n1 ZINC000826357226 608158507 /nfs/dbraw/zinc/15/85/07/608158507.db2.gz WOWFRSJFJWEUFD-UHFFFAOYSA-N -1 1 378.190 1.380 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cc2c(cccc2F)[nH]1 ZINC000825934667 608211366 /nfs/dbraw/zinc/21/13/66/608211366.db2.gz PQBFAVGFAHZHSU-UHFFFAOYSA-N -1 1 383.391 1.497 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cc2c(cccc2F)[nH]1 ZINC000825934667 608211368 /nfs/dbraw/zinc/21/13/68/608211368.db2.gz PQBFAVGFAHZHSU-UHFFFAOYSA-N -1 1 383.391 1.497 20 0 GDADMM Cc1cccc(OCCC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1C ZINC000826299975 608212313 /nfs/dbraw/zinc/21/23/13/608212313.db2.gz CKPYATSLBIFVQD-UHFFFAOYSA-N -1 1 398.471 1.649 20 0 GDADMM Cc1cccc(OCCC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1C ZINC000826299975 608212314 /nfs/dbraw/zinc/21/23/14/608212314.db2.gz CKPYATSLBIFVQD-UHFFFAOYSA-N -1 1 398.471 1.649 20 0 GDADMM COc1ccccc1C(C)=CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826219341 608212325 /nfs/dbraw/zinc/21/23/25/608212325.db2.gz ZAUSOLMUDLCQRB-QXMHVHEDSA-N -1 1 396.455 1.675 20 0 GDADMM COc1ccccc1C(C)=CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826219341 608212326 /nfs/dbraw/zinc/21/23/26/608212326.db2.gz ZAUSOLMUDLCQRB-QXMHVHEDSA-N -1 1 396.455 1.675 20 0 GDADMM COc1cc(C)sc1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826179017 608213450 /nfs/dbraw/zinc/21/34/50/608213450.db2.gz VCHCXCDEZYQBRW-UHFFFAOYSA-N -1 1 376.446 1.255 20 0 GDADMM COc1cc(C)sc1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826179017 608213451 /nfs/dbraw/zinc/21/34/51/608213451.db2.gz VCHCXCDEZYQBRW-UHFFFAOYSA-N -1 1 376.446 1.255 20 0 GDADMM Cc1nn(C)c(C)c1[C@H]1COCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000826333509 608241657 /nfs/dbraw/zinc/24/16/57/608241657.db2.gz KOPWXOWWAWBOND-SECBINFHSA-N -1 1 380.865 1.905 20 0 GDADMM Cc1nn(C)c(C)c1[C@H]1COCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000826333509 608241659 /nfs/dbraw/zinc/24/16/59/608241659.db2.gz KOPWXOWWAWBOND-SECBINFHSA-N -1 1 380.865 1.905 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC000826341056 608251828 /nfs/dbraw/zinc/25/18/28/608251828.db2.gz UZBGMLBEXURESI-GFCCVEGCSA-N -1 1 381.396 1.006 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC000826341056 608251830 /nfs/dbraw/zinc/25/18/30/608251830.db2.gz UZBGMLBEXURESI-GFCCVEGCSA-N -1 1 381.396 1.006 20 0 GDADMM Cc1sc2nc(COC(=O)c3ccc(-c4nnn[n-]4)nc3)nc(N)c2c1C ZINC000826350265 608255792 /nfs/dbraw/zinc/25/57/92/608255792.db2.gz OMDUTCMGKWBNRM-UHFFFAOYSA-N -1 1 382.409 1.822 20 0 GDADMM Cc1sc2nc(COC(=O)c3ccc(-c4nn[n-]n4)nc3)nc(N)c2c1C ZINC000826350265 608255794 /nfs/dbraw/zinc/25/57/94/608255794.db2.gz OMDUTCMGKWBNRM-UHFFFAOYSA-N -1 1 382.409 1.822 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000826495281 608306112 /nfs/dbraw/zinc/30/61/12/608306112.db2.gz JONBUAWHFLZSCU-OLZOCXBDSA-N -1 1 395.460 1.833 20 0 GDADMM Cc1nn(-c2ccccc2)c(CN2CC(=O)N[C@@H]3CCCC[C@H]32)c1-c1nn[n-]n1 ZINC000826332027 608317447 /nfs/dbraw/zinc/31/74/47/608317447.db2.gz HMDJQCLJWZTHPV-HZPDHXFCSA-N -1 1 392.467 1.604 20 0 GDADMM C[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)c1cccs1 ZINC000824470469 608340331 /nfs/dbraw/zinc/34/03/31/608340331.db2.gz IJWOQBPWBPDORU-SECBINFHSA-N -1 1 388.457 1.696 20 0 GDADMM C[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)c1cccs1 ZINC000824470469 608340333 /nfs/dbraw/zinc/34/03/33/608340333.db2.gz IJWOQBPWBPDORU-SECBINFHSA-N -1 1 388.457 1.696 20 0 GDADMM CCCN(CC(F)F)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825307489 608351340 /nfs/dbraw/zinc/35/13/40/608351340.db2.gz BFERHDOKXNBYHW-UHFFFAOYSA-N -1 1 384.391 1.260 20 0 GDADMM CCCN(CC(F)F)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825307489 608351342 /nfs/dbraw/zinc/35/13/42/608351342.db2.gz BFERHDOKXNBYHW-UHFFFAOYSA-N -1 1 384.391 1.260 20 0 GDADMM C[C@H]1CCCC[C@H]1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824936998 608351494 /nfs/dbraw/zinc/35/14/94/608351494.db2.gz NYSVLGWZUXZNHO-RYUDHWBXSA-N -1 1 388.476 1.699 20 0 GDADMM C[C@H]1CCCC[C@H]1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824936998 608351496 /nfs/dbraw/zinc/35/14/96/608351496.db2.gz NYSVLGWZUXZNHO-RYUDHWBXSA-N -1 1 388.476 1.699 20 0 GDADMM O=C(Nc1ccc(F)cc1)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826454274 608400719 /nfs/dbraw/zinc/40/07/19/608400719.db2.gz PQDCWXCCUFIRRW-UHFFFAOYSA-N -1 1 383.391 1.586 20 0 GDADMM O=C(Nc1ccc(F)cc1)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826454274 608400721 /nfs/dbraw/zinc/40/07/21/608400721.db2.gz PQDCWXCCUFIRRW-UHFFFAOYSA-N -1 1 383.391 1.586 20 0 GDADMM O=C(CCCc1ccccc1)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826407014 608408620 /nfs/dbraw/zinc/40/86/20/608408620.db2.gz XDYFLLLYTCMBEN-UHFFFAOYSA-N -1 1 378.440 1.328 20 0 GDADMM O=C(CCCc1ccccc1)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826407014 608408622 /nfs/dbraw/zinc/40/86/22/608408622.db2.gz XDYFLLLYTCMBEN-UHFFFAOYSA-N -1 1 378.440 1.328 20 0 GDADMM C[C@@H]1CCOCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824967664 608424538 /nfs/dbraw/zinc/42/45/38/608424538.db2.gz MEPFZBKRDKFQGU-SECBINFHSA-N -1 1 391.375 1.685 20 0 GDADMM O=C1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CN1c1cccc(C(F)(F)F)c1 ZINC000826478626 608429841 /nfs/dbraw/zinc/42/98/41/608429841.db2.gz GYQIIZNTRYKKJA-JTQLQIEISA-N -1 1 390.329 1.893 20 0 GDADMM O=C1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CN1c1cccc(C(F)(F)F)c1 ZINC000826478626 608429843 /nfs/dbraw/zinc/42/98/43/608429843.db2.gz GYQIIZNTRYKKJA-JTQLQIEISA-N -1 1 390.329 1.893 20 0 GDADMM Cc1cc(C)cc(OCC(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)c1 ZINC000826264518 608434487 /nfs/dbraw/zinc/43/44/87/608434487.db2.gz RCVSLTNXQVDMMT-UHFFFAOYSA-N -1 1 394.439 1.001 20 0 GDADMM Cc1cc(C)cc(OCC(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)c1 ZINC000826264518 608434489 /nfs/dbraw/zinc/43/44/89/608434489.db2.gz RCVSLTNXQVDMMT-UHFFFAOYSA-N -1 1 394.439 1.001 20 0 GDADMM Cc1cccc(C)c1NC(=O)CN1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000826296685 608505366 /nfs/dbraw/zinc/50/53/66/608505366.db2.gz FXDACLGLQKKCNU-UHFFFAOYSA-N -1 1 395.467 1.833 20 0 GDADMM Cc1cccc(C)c1NC(=O)CN1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000826296685 608505368 /nfs/dbraw/zinc/50/53/68/608505368.db2.gz FXDACLGLQKKCNU-UHFFFAOYSA-N -1 1 395.467 1.833 20 0 GDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000826280487 608542082 /nfs/dbraw/zinc/54/20/82/608542082.db2.gz DCKBKIWMFTYVEB-HNNXBMFYSA-N -1 1 384.488 1.093 20 0 GDADMM COc1ccc(C)cc1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826189773 608549310 /nfs/dbraw/zinc/54/93/10/608549310.db2.gz DUYZAROYROQBAA-UHFFFAOYSA-N -1 1 385.432 1.586 20 0 GDADMM COc1ccc(C)cc1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826189773 608549311 /nfs/dbraw/zinc/54/93/11/608549311.db2.gz DUYZAROYROQBAA-UHFFFAOYSA-N -1 1 385.432 1.586 20 0 GDADMM CC(C)Oc1cccnc1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824333887 608554831 /nfs/dbraw/zinc/55/48/31/608554831.db2.gz PDQOELPDOMNVJX-UHFFFAOYSA-N -1 1 385.432 1.059 20 0 GDADMM CC(C)Oc1cccnc1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824333887 608554833 /nfs/dbraw/zinc/55/48/33/608554833.db2.gz PDQOELPDOMNVJX-UHFFFAOYSA-N -1 1 385.432 1.059 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1csc(C(C)(C)C)n1 ZINC000825934258 608556995 /nfs/dbraw/zinc/55/69/95/608556995.db2.gz LLEFSGGJWXCHLM-UHFFFAOYSA-N -1 1 389.489 1.631 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1csc(C(C)(C)C)n1 ZINC000825934258 608556994 /nfs/dbraw/zinc/55/69/94/608556994.db2.gz LLEFSGGJWXCHLM-UHFFFAOYSA-N -1 1 389.489 1.631 20 0 GDADMM COc1cccc([C@@H](C)C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000826214628 608558636 /nfs/dbraw/zinc/55/86/36/608558636.db2.gz RPSIMAVGNVEPIG-LLVKDONJSA-N -1 1 384.444 1.375 20 0 GDADMM COc1cccc([C@@H](C)C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000826214628 608558638 /nfs/dbraw/zinc/55/86/38/608558638.db2.gz RPSIMAVGNVEPIG-LLVKDONJSA-N -1 1 384.444 1.375 20 0 GDADMM CCOC(=O)c1ccc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)o1 ZINC000825560074 608839538 /nfs/dbraw/zinc/83/95/38/608839538.db2.gz NYAMPKRKGMUCHH-LBPRGKRZSA-N -1 1 398.427 1.137 20 0 GDADMM CCOC(=O)c1ccc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)o1 ZINC000825560074 608839540 /nfs/dbraw/zinc/83/95/40/608839540.db2.gz NYAMPKRKGMUCHH-LBPRGKRZSA-N -1 1 398.427 1.137 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cc(F)c(F)c(F)c1 ZINC000825000799 608839785 /nfs/dbraw/zinc/83/97/85/608839785.db2.gz VHVJGRGAAKQXSL-SNVBAGLBSA-N -1 1 390.373 1.785 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1cc(F)c(F)c(F)c1 ZINC000825000799 608839787 /nfs/dbraw/zinc/83/97/87/608839787.db2.gz VHVJGRGAAKQXSL-SNVBAGLBSA-N -1 1 390.373 1.785 20 0 GDADMM O=C(CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)NCc1ccco1 ZINC000826414130 609280029 /nfs/dbraw/zinc/28/00/29/609280029.db2.gz GZMZBJOKTJEKII-UHFFFAOYSA-N -1 1 382.359 1.513 20 0 GDADMM O=C(C=Cc1cnccn1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826403148 609288401 /nfs/dbraw/zinc/28/84/01/609288401.db2.gz KZRLGQPFWNXLFD-PLNGDYQASA-N -1 1 377.343 1.633 20 0 GDADMM CC(=O)c1cc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)n(C)c1 ZINC000824009596 609289979 /nfs/dbraw/zinc/28/99/79/609289979.db2.gz AXVCAUPAYHQQOH-UHFFFAOYSA-N -1 1 394.370 1.985 20 0 GDADMM C[C@H]1CCC[C@@H](CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1 ZINC000824926645 609300064 /nfs/dbraw/zinc/30/00/64/609300064.db2.gz KOJSMMKAUHHVAZ-NWDGAFQWSA-N -1 1 375.481 1.572 20 0 GDADMM C[C@H]1CCC[C@@H](CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C1 ZINC000824926645 609300066 /nfs/dbraw/zinc/30/00/66/609300066.db2.gz KOJSMMKAUHHVAZ-NWDGAFQWSA-N -1 1 375.481 1.572 20 0 GDADMM Cc1ccc(CCNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c(C)c1 ZINC000826287087 609300622 /nfs/dbraw/zinc/30/06/22/609300622.db2.gz BZRGATUXXZOJFA-UHFFFAOYSA-N -1 1 397.487 1.606 20 0 GDADMM Cc1ccc(CCNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c(C)c1 ZINC000826287087 609300624 /nfs/dbraw/zinc/30/06/24/609300624.db2.gz BZRGATUXXZOJFA-UHFFFAOYSA-N -1 1 397.487 1.606 20 0 GDADMM C[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)[C@@H](C)c1ccccc1 ZINC000824489696 609303360 /nfs/dbraw/zinc/30/33/60/609303360.db2.gz MVBRFNCHKQLUMN-CHWSQXEVSA-N -1 1 397.487 1.938 20 0 GDADMM C[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)[C@@H](C)c1ccccc1 ZINC000824489696 609303362 /nfs/dbraw/zinc/30/33/62/609303362.db2.gz MVBRFNCHKQLUMN-CHWSQXEVSA-N -1 1 397.487 1.938 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000825930336 609304019 /nfs/dbraw/zinc/30/40/19/609304019.db2.gz SYTGKJOIWPLLQF-YNEHKIRRSA-N -1 1 387.492 1.715 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000825930336 609304022 /nfs/dbraw/zinc/30/40/22/609304022.db2.gz SYTGKJOIWPLLQF-YNEHKIRRSA-N -1 1 387.492 1.715 20 0 GDADMM Cc1cnc([C@H](C)NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)s1 ZINC000826317385 609304483 /nfs/dbraw/zinc/30/44/83/609304483.db2.gz ATVLDKOITDAHTH-VIFPVBQESA-N -1 1 390.477 1.272 20 0 GDADMM Cc1cnc([C@H](C)NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)s1 ZINC000826317385 609304485 /nfs/dbraw/zinc/30/44/85/609304485.db2.gz ATVLDKOITDAHTH-VIFPVBQESA-N -1 1 390.477 1.272 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCC1CCC(C)(C)CC1 ZINC000825930764 609310130 /nfs/dbraw/zinc/31/01/30/609310130.db2.gz YIVCIICGSOAXKR-UHFFFAOYSA-N -1 1 389.508 1.962 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCC1CCC(C)(C)CC1 ZINC000825930764 609310132 /nfs/dbraw/zinc/31/01/32/609310132.db2.gz YIVCIICGSOAXKR-UHFFFAOYSA-N -1 1 389.508 1.962 20 0 GDADMM COc1ccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c(C)c1 ZINC000826197525 609310150 /nfs/dbraw/zinc/31/01/50/609310150.db2.gz SGJCGDBEFAJRHB-UHFFFAOYSA-N -1 1 399.459 1.263 20 0 GDADMM COc1ccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c(C)c1 ZINC000826197525 609310152 /nfs/dbraw/zinc/31/01/52/609310152.db2.gz SGJCGDBEFAJRHB-UHFFFAOYSA-N -1 1 399.459 1.263 20 0 GDADMM COC(=O)[C@@H]1CCCCCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826134592 609318459 /nfs/dbraw/zinc/31/84/59/609318459.db2.gz YZHZYLKKLKXUNT-NSHDSACASA-N -1 1 383.405 1.112 20 0 GDADMM COC(=O)[C@@H]1CCCCCN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826134592 609318460 /nfs/dbraw/zinc/31/84/60/609318460.db2.gz YZHZYLKKLKXUNT-NSHDSACASA-N -1 1 383.405 1.112 20 0 GDADMM CN(C[C@@H]1CCCC[C@H]1O)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825908696 609333414 /nfs/dbraw/zinc/33/34/14/609333414.db2.gz LAWSWJGSUZYPAF-GXFFZTMASA-N -1 1 385.877 1.692 20 0 GDADMM CO[C@@H]1CCCN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1 ZINC000826145480 609359262 /nfs/dbraw/zinc/35/92/62/609359262.db2.gz HLSBNMYMDGIVSZ-LLVKDONJSA-N -1 1 386.391 1.834 20 0 GDADMM COC[C@H]1CCN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1 ZINC000826153634 609364466 /nfs/dbraw/zinc/36/44/66/609364466.db2.gz VNLQVXNEFXNWDI-NSHDSACASA-N -1 1 386.391 1.692 20 0 GDADMM C[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C[C@H]1C ZINC000824967035 609365581 /nfs/dbraw/zinc/36/55/81/609365581.db2.gz GRXMRHCAGKYUDW-GHMZBOCLSA-N -1 1 398.402 1.244 20 0 GDADMM O=C(NCCCC1CC1)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826436534 609366859 /nfs/dbraw/zinc/36/68/59/609366859.db2.gz XHSFOMZRHFYFRM-UHFFFAOYSA-N -1 1 398.402 1.436 20 0 GDADMM CC1CC(NC(=O)C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1 ZINC000824883470 609368119 /nfs/dbraw/zinc/36/81/19/609368119.db2.gz HNEVYWHSBJARFY-UHFFFAOYSA-N -1 1 384.375 1.045 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CCC[C@H]2[C@H]2CCCC2=O)cc1-c1nn[n-]n1 ZINC000826229350 609395669 /nfs/dbraw/zinc/39/56/69/609395669.db2.gz AQYYMVRMMHVPGW-SKDRFNHKSA-N -1 1 388.453 1.663 20 0 GDADMM COCC1(C(=O)N2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)CC1 ZINC000826152879 609426066 /nfs/dbraw/zinc/42/60/66/609426066.db2.gz RJURLUQSHFEGHL-UHFFFAOYSA-N -1 1 399.411 1.190 20 0 GDADMM CCn1cc(-c2nn[n-]n2)c(=O)n(C[C@@H](C)C(=O)c2ccc(F)c(F)c2)c1=O ZINC000825796798 609435305 /nfs/dbraw/zinc/43/53/05/609435305.db2.gz OOYMCNJYMDXZON-SECBINFHSA-N -1 1 390.350 1.007 20 0 GDADMM CO[C@@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1ccccc1 ZINC000821672303 609592590 /nfs/dbraw/zinc/59/25/90/609592590.db2.gz FWSMLUKCEBKCDJ-CZUORRHYSA-N -1 1 394.439 1.082 20 0 GDADMM CO[C@@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1ccccc1 ZINC000821672303 609592591 /nfs/dbraw/zinc/59/25/91/609592591.db2.gz FWSMLUKCEBKCDJ-CZUORRHYSA-N -1 1 394.439 1.082 20 0 GDADMM O=C1[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCCN1c1cccnc1 ZINC000826477777 609599712 /nfs/dbraw/zinc/59/97/12/609599712.db2.gz LLOZVPZNMKDKHD-SECBINFHSA-N -1 1 376.833 1.979 20 0 GDADMM O=C1[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCCN1c1cccnc1 ZINC000826477777 609599714 /nfs/dbraw/zinc/59/97/14/609599714.db2.gz LLOZVPZNMKDKHD-SECBINFHSA-N -1 1 376.833 1.979 20 0 GDADMM C[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)c1 ZINC000531906979 650000866 /nfs/dbraw/zinc/00/08/66/650000866.db2.gz BUFNYZLSRZFNFV-HSZRJFAPSA-N -1 1 399.515 1.696 20 0 GDADMM O=S(=O)([N-]C[C@H](O)[C@@H]1CCOC1)c1cc(Br)sc1Cl ZINC000533093218 650041411 /nfs/dbraw/zinc/04/14/11/650041411.db2.gz DIQDKWTZRMFLSQ-RQJHMYQMSA-N -1 1 390.708 1.840 20 0 GDADMM CNC(=O)C[C@@H](C)[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000916126237 660186435 /nfs/dbraw/zinc/18/64/35/660186435.db2.gz VISUWAFRJCRRRK-SSDOTTSWSA-N -1 1 383.239 1.400 20 0 GDADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@@H]3COCC[C@H]32)c(F)c1 ZINC000536906025 650283538 /nfs/dbraw/zinc/28/35/38/650283538.db2.gz SHOAQJXLVPMPHX-BXUZGUMPSA-N -1 1 392.474 1.387 20 0 GDADMM CCCN(C(=O)[C@@H](C)Sc1nc(C)c(C)c(=O)[n-]1)[C@@H]1CCS(=O)(=O)C1 ZINC000537414832 650291821 /nfs/dbraw/zinc/29/18/21/650291821.db2.gz VJTZZNJCVJUILQ-CHWSQXEVSA-N -1 1 387.527 1.705 20 0 GDADMM COCCOCCS(=O)(=O)[N-]c1cc(OC)c(Br)c(OC)c1 ZINC000538296375 650308126 /nfs/dbraw/zinc/30/81/26/650308126.db2.gz OWZBDLLKVIOBTI-UHFFFAOYSA-N -1 1 398.275 1.871 20 0 GDADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2c[nH]c(=O)c(Br)c2)c1 ZINC000538950906 650326310 /nfs/dbraw/zinc/32/63/10/650326310.db2.gz CDQBKUQPJWSJCV-UHFFFAOYSA-N -1 1 388.199 1.155 20 0 GDADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1ccc(S(C)(=O)=O)o1 ZINC000540252274 650353816 /nfs/dbraw/zinc/35/38/16/650353816.db2.gz IVUMFXMGHCGKSE-UHFFFAOYSA-N -1 1 376.387 1.446 20 0 GDADMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)c(F)c2)c(C)c1F ZINC000542092377 650398799 /nfs/dbraw/zinc/39/87/99/650398799.db2.gz HYTHXISQGGAHTM-UHFFFAOYSA-N -1 1 392.405 1.730 20 0 GDADMM O=C(NCCc1cc(Cl)ccc1Br)c1cc(=O)n2[n-]cnc2n1 ZINC000544781486 650445297 /nfs/dbraw/zinc/44/52/97/650445297.db2.gz ABFOLGCZGWFSDC-UHFFFAOYSA-N -1 1 396.632 1.806 20 0 GDADMM O=C(NCc1nnc2n1CCC2)c1ccc(I)c([O-])c1 ZINC000544831845 650446433 /nfs/dbraw/zinc/44/64/33/650446433.db2.gz LEEASESINIMPMY-UHFFFAOYSA-N -1 1 384.177 1.465 20 0 GDADMM C[C@H](CNS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1)CN1CCN(C)CC1 ZINC000544929837 650448288 /nfs/dbraw/zinc/44/82/88/650448288.db2.gz UINWQLPOCXLLRS-GFCCVEGCSA-N -1 1 389.905 1.200 20 0 GDADMM O=C(CNC(=O)c1ccc(Br)s1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000545303806 650453227 /nfs/dbraw/zinc/45/32/27/650453227.db2.gz NXKAGLJJRLKYCS-QMMMGPOBSA-N -1 1 399.274 1.160 20 0 GDADMM CC(C)(CNC(=O)c1cc(=O)n2[n-]cnc2n1)c1ccccc1Br ZINC000546123303 650471805 /nfs/dbraw/zinc/47/18/05/650471805.db2.gz JHLLWQMGOXGFKY-UHFFFAOYSA-N -1 1 390.241 1.888 20 0 GDADMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)c1cnc(C(C)C)s1 ZINC000546663897 650482962 /nfs/dbraw/zinc/48/29/62/650482962.db2.gz CRHYABDJUPWVAI-UHFFFAOYSA-N -1 1 390.512 1.445 20 0 GDADMM Cn1c2ccc(S(=O)(=O)[N-]c3ccccc3C[S@@](C)=O)cc2oc1=O ZINC000547242783 650493023 /nfs/dbraw/zinc/49/30/23/650493023.db2.gz VMPNBHXPAOYULL-XMMPIXPASA-N -1 1 380.447 1.811 20 0 GDADMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@@H](C)C(=O)OC)c1ccc(OC)c(Cl)c1 ZINC000547440095 650498324 /nfs/dbraw/zinc/49/83/24/650498324.db2.gz RIOAXVJAJRSAPT-NOZJJQNGSA-N -1 1 393.845 1.291 20 0 GDADMM COC(=O)c1ncsc1S(=O)(=O)N[C@H](C(=O)[O-])c1c(F)cccc1F ZINC000547932928 650523898 /nfs/dbraw/zinc/52/38/98/650523898.db2.gz DOSFDGRAGPQSII-VIFPVBQESA-N -1 1 392.361 1.312 20 0 GDADMM Cc1cccc(S(=O)(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])c1Br ZINC000548206426 650535437 /nfs/dbraw/zinc/53/54/37/650535437.db2.gz BAGXNRJKJXHOEG-SNVBAGLBSA-N -1 1 388.243 1.455 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)c1nn[n-]n1 ZINC000548467075 650546849 /nfs/dbraw/zinc/54/68/49/650546849.db2.gz XIADXSNAMRXUKL-QMMMGPOBSA-N -1 1 391.229 1.679 20 0 GDADMM COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000549517997 650578201 /nfs/dbraw/zinc/57/82/01/650578201.db2.gz RZXUEJSUCKOEQR-UHFFFAOYSA-N -1 1 385.419 1.598 20 0 GDADMM Cn1cc(S(=O)(=O)[N-]C[C@H](O)COc2ccccc2)c(C(F)(F)F)n1 ZINC000549771112 650582387 /nfs/dbraw/zinc/58/23/87/650582387.db2.gz FKLFTJGHBOZADU-JTQLQIEISA-N -1 1 379.360 1.157 20 0 GDADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC(OCC)C2)c(OC)c1 ZINC000549990212 650586877 /nfs/dbraw/zinc/58/68/77/650586877.db2.gz OSMCEKUMBABBIE-UHFFFAOYSA-N -1 1 392.499 1.256 20 0 GDADMM Cc1ncc2c(n1)CC[C@@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)C2 ZINC000555283919 650688265 /nfs/dbraw/zinc/68/82/65/650688265.db2.gz IJRBEUDGTIMLRJ-SNVBAGLBSA-N -1 1 375.376 1.373 20 0 GDADMM Cc1cc(CS(=O)(=O)[N-]CC(=O)Nc2cccc(Br)c2)no1 ZINC000556398937 650704162 /nfs/dbraw/zinc/70/41/62/650704162.db2.gz KEJGXCYSIVFKHY-UHFFFAOYSA-N -1 1 388.243 1.804 20 0 GDADMM O=S(=O)([N-]c1cnc[nH]1)c1cccc(S(=O)(=O)N2CC[C@@H]2C2CC2)c1 ZINC000565229507 650786362 /nfs/dbraw/zinc/78/63/62/650786362.db2.gz HEXOMDOURHPZHD-CQSZACIVSA-N -1 1 382.467 1.384 20 0 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/nfs/dbraw/zinc/08/30/70/660083070.db2.gz UNCOXZOHXBUQLU-ZETCQYMHSA-N -1 1 391.194 1.080 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-]CCNC(=O)C(C)C)c1F ZINC000913860404 660100797 /nfs/dbraw/zinc/10/07/97/660100797.db2.gz JRMRFYKTKAVXMQ-UHFFFAOYSA-N -1 1 397.266 1.647 20 0 GDADMM CCN(CC)C(=O)C[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000913972269 660108256 /nfs/dbraw/zinc/10/82/56/660108256.db2.gz WSZHMAJJWSYVGE-UHFFFAOYSA-N -1 1 397.266 1.744 20 0 GDADMM CC[C@@H]([N-]S(=O)(=O)c1c(Br)ccc(OC)c1F)C(=O)OC ZINC000914235223 660130386 /nfs/dbraw/zinc/13/03/86/660130386.db2.gz PQXQRBLYZRQCNR-MRVPVSSYSA-N -1 1 384.223 1.827 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-]C[C@]2(O)CCOC2)c1F ZINC000914291560 660136104 /nfs/dbraw/zinc/13/61/04/660136104.db2.gz NBCPGWFZSFBXFG-GFCCVEGCSA-N -1 1 384.223 1.027 20 0 GDADMM CC(C)S(=O)(=O)CCNC(=O)c1ccc(I)c([O-])c1 ZINC000382345762 677677166 /nfs/dbraw/zinc/67/71/66/677677166.db2.gz HYZRBFICXKSLEH-UHFFFAOYSA-N -1 1 397.234 1.550 20 0 GDADMM CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)CCS(C)(=O)=O)c1ccccc1 ZINC000392595018 677677981 /nfs/dbraw/zinc/67/79/81/677677981.db2.gz MVGUGOBLMCAMAL-ZDUSSCGKSA-N -1 1 377.484 1.033 20 0 GDADMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]CCC1(CO)CC1 ZINC000395907809 677678225 /nfs/dbraw/zinc/67/82/25/677678225.db2.gz NSFIOJFTEDVXSL-UHFFFAOYSA-N -1 1 379.232 1.798 20 0 GDADMM O=C(c1ccc(Br)cc1Cl)N1CCC(O)(c2nn[n-]n2)CC1 ZINC000798148569 677679285 /nfs/dbraw/zinc/67/92/85/677679285.db2.gz IBNDTPGRWBCJOG-UHFFFAOYSA-N -1 1 386.637 1.739 20 0 GDADMM O=C([O-])[C@@H](NC(=O)NCCN1CCCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000909110719 939382229 /nfs/dbraw/zinc/38/22/29/939382229.db2.gz QTEXYSYDZXFGMX-AWEZNQCLSA-N -1 1 389.374 1.853 20 0 GDADMM O=C([O-])[C@H](NC(=O)C1CCC(N2CCOCC2)CC1)c1ccc2c(c1)CCO2 ZINC000909794633 939732441 /nfs/dbraw/zinc/73/24/41/939732441.db2.gz RHKAPMMUZHGMIV-ITXXBFQVSA-N -1 1 388.464 1.754 20 0 GDADMM CN1CCN(Cc2cccc(C(=O)N[C@H](C(=O)[O-])c3cccc(O)c3)c2)CC1 ZINC000911441795 939771960 /nfs/dbraw/zinc/77/19/60/939771960.db2.gz GGDRAIAONVPZBP-IBGZPJMESA-N -1 1 383.448 1.695 20 0 GDADMM O=C([O-])C1(NC(=O)N[C@H]2CCCN3CCSC[C@@H]23)Cc2ccccc2C1 ZINC001119642966 939815444 /nfs/dbraw/zinc/81/54/44/939815444.db2.gz IVNFOLHASLWWRL-HOTGVXAUSA-N -1 1 375.494 1.488 20 0 GDADMM C[C@@H](Cc1cnc[nH]1)C(=O)N[C@](C)(C(=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000630194475 939817165 /nfs/dbraw/zinc/81/71/65/939817165.db2.gz YLTFKYSANBVFBQ-GTNSWQLSSA-N -1 1 379.438 1.108 20 0 GDADMM C[C@](NC(=O)c1[nH]nc2c1CCCC2)(C(=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000653671318 939839077 /nfs/dbraw/zinc/83/90/77/939839077.db2.gz FTXWDMSRSRKWIA-GOSISDBHSA-N -1 1 391.449 1.422 20 0 GDADMM C[C@@H](C(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1)C1CC1 ZINC000819856953 945298360 /nfs/dbraw/zinc/29/83/60/945298360.db2.gz NJBIANYYCIHAQT-LLVKDONJSA-N -1 1 383.412 1.809 20 0 GDADMM Cn1nccc1[C@@H](NCCN1c2cccc3cccc(c23)S1(=O)=O)C(=O)[O-] ZINC001601034699 970917169 /nfs/dbraw/zinc/91/71/69/970917169.db2.gz QNCDELCFFRIXCK-QGZVFWFLSA-N -1 1 386.433 1.498 20 0 GDADMM Cc1nsc(N(C)[C@H]2CCN(C(=O)C(C)(C)C(F)F)C2)c1-c1nn[n-]n1 ZINC001571259608 945392732 /nfs/dbraw/zinc/39/27/32/945392732.db2.gz IFJVWKGOOHGBCL-VIFPVBQESA-N -1 1 385.444 1.960 20 0 GDADMM Cc1nsc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cccc(F)c2)c1-c1nn[n-]n1 ZINC001571259738 945397756 /nfs/dbraw/zinc/39/77/56/945397756.db2.gz QEKOMVNCLAWTGC-IMRBUKKESA-N -1 1 385.428 1.635 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571261239 945424778 /nfs/dbraw/zinc/42/47/78/945424778.db2.gz BVVLVJCKWUCUJM-MGCOHNPYSA-N -1 1 385.457 1.610 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571261239 945424782 /nfs/dbraw/zinc/42/47/82/945424782.db2.gz BVVLVJCKWUCUJM-MGCOHNPYSA-N -1 1 385.457 1.610 20 0 GDADMM Cc1ncc(C(=O)N2CC[C@H](N(C)c3nc(C)cc(-c4nnn[n-]4)n3)C2)s1 ZINC001571261464 945426516 /nfs/dbraw/zinc/42/65/16/945426516.db2.gz FTHVVGFQSGEIHE-NSHDSACASA-N -1 1 385.457 1.081 20 0 GDADMM Cc1ncc(C(=O)N2CC[C@H](N(C)c3nc(C)cc(-c4nn[n-]n4)n3)C2)s1 ZINC001571261464 945426522 /nfs/dbraw/zinc/42/65/22/945426522.db2.gz FTHVVGFQSGEIHE-NSHDSACASA-N -1 1 385.457 1.081 20 0 GDADMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H]1CCCCN1C(=O)c1cscn1 ZINC001571261869 945431681 /nfs/dbraw/zinc/43/16/81/945431681.db2.gz KXPPUEBKTBJXHY-GXFFZTMASA-N -1 1 385.457 1.609 20 0 GDADMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H]1CCCCN1C(=O)c1cscn1 ZINC001571261869 945431685 /nfs/dbraw/zinc/43/16/85/945431685.db2.gz KXPPUEBKTBJXHY-GXFFZTMASA-N -1 1 385.457 1.609 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@H]2CNC(=O)c2cncs2)n1 ZINC001571262200 945434587 /nfs/dbraw/zinc/43/45/87/945434587.db2.gz OAKJLGKGKVIMSJ-JTQLQIEISA-N -1 1 385.457 1.074 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@H]2CNC(=O)c2cncs2)n1 ZINC001571262200 945434595 /nfs/dbraw/zinc/43/45/95/945434595.db2.gz OAKJLGKGKVIMSJ-JTQLQIEISA-N -1 1 385.457 1.074 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)s1 ZINC001571262163 945435760 /nfs/dbraw/zinc/43/57/60/945435760.db2.gz NNNYHVIJWOMMNR-SNVBAGLBSA-N -1 1 385.457 1.245 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)s1 ZINC001571262163 945435763 /nfs/dbraw/zinc/43/57/63/945435763.db2.gz NNNYHVIJWOMMNR-SNVBAGLBSA-N -1 1 385.457 1.245 20 0 GDADMM C[C@@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)Cc1cscn1 ZINC001571262190 945436076 /nfs/dbraw/zinc/43/60/76/945436076.db2.gz NQYSGJQORFBJSI-GHMZBOCLSA-N -1 1 385.457 1.147 20 0 GDADMM C[C@@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)Cc1cscn1 ZINC001571262190 945436079 /nfs/dbraw/zinc/43/60/79/945436079.db2.gz NQYSGJQORFBJSI-GHMZBOCLSA-N -1 1 385.457 1.147 20 0 GDADMM CN(C(=O)c1cscn1)C1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571262198 945436111 /nfs/dbraw/zinc/43/61/11/945436111.db2.gz NZAGCTRITCKGPO-UHFFFAOYSA-N -1 1 385.457 1.609 20 0 GDADMM CN(C(=O)c1cscn1)C1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571262198 945436114 /nfs/dbraw/zinc/43/61/14/945436114.db2.gz NZAGCTRITCKGPO-UHFFFAOYSA-N -1 1 385.457 1.609 20 0 GDADMM CCc1ncc(C(=O)N2C[C@H](C)[C@H](Nc3nccnc3-c3nnn[n-]3)C2)s1 ZINC001571262547 945439989 /nfs/dbraw/zinc/43/99/89/945439989.db2.gz ULVALMHMGVDVQO-VHSXEESVSA-N -1 1 385.457 1.248 20 0 GDADMM CCc1ncc(C(=O)N2C[C@H](C)[C@H](Nc3nccnc3-c3nn[n-]n3)C2)s1 ZINC001571262547 945439995 /nfs/dbraw/zinc/43/99/95/945439995.db2.gz ULVALMHMGVDVQO-VHSXEESVSA-N -1 1 385.457 1.248 20 0 GDADMM CCc1ncsc1C(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571262745 945441773 /nfs/dbraw/zinc/44/17/73/945441773.db2.gz WUJVJVATJQKWRN-BXKDBHETSA-N -1 1 385.457 1.248 20 0 GDADMM CCc1ncsc1C(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571262745 945441776 /nfs/dbraw/zinc/44/17/76/945441776.db2.gz WUJVJVATJQKWRN-BXKDBHETSA-N -1 1 385.457 1.248 20 0 GDADMM Cc1nsc(N[C@@H]2CC[C@H](CNC(=O)c3ccnnc3)C2)c1-c1nn[n-]n1 ZINC001571263146 945452259 /nfs/dbraw/zinc/45/22/59/945452259.db2.gz IUEJFOMCYINGRE-CMPLNLGQSA-N -1 1 385.457 1.432 20 0 GDADMM Cc1ncsc1C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571263362 945457431 /nfs/dbraw/zinc/45/74/31/945457431.db2.gz NWDDSCBYCXTNIX-LLVKDONJSA-N -1 1 385.457 1.211 20 0 GDADMM Cc1ncsc1C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571263362 945457435 /nfs/dbraw/zinc/45/74/35/945457435.db2.gz NWDDSCBYCXTNIX-LLVKDONJSA-N -1 1 385.457 1.211 20 0 GDADMM O=C(Cc1cscn1)N[C@@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571263369 945457770 /nfs/dbraw/zinc/45/77/70/945457770.db2.gz NYGWMJIHDLDFJY-WDEREUQCSA-N -1 1 385.457 1.053 20 0 GDADMM O=C(Cc1cscn1)N[C@@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571263369 945457777 /nfs/dbraw/zinc/45/77/77/945457777.db2.gz NYGWMJIHDLDFJY-WDEREUQCSA-N -1 1 385.457 1.053 20 0 GDADMM Cc1nc(C(=O)N2CC[C@@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)sc1C ZINC001571263371 945457942 /nfs/dbraw/zinc/45/79/42/945457942.db2.gz OIGKTQBGRIRVAF-LLVKDONJSA-N -1 1 385.457 1.365 20 0 GDADMM Cc1nc(C(=O)N2CC[C@@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)sc1C ZINC001571263371 945457950 /nfs/dbraw/zinc/45/79/50/945457950.db2.gz OIGKTQBGRIRVAF-LLVKDONJSA-N -1 1 385.457 1.365 20 0 GDADMM Cc1nc(C)c(C(=O)N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)s1 ZINC001571263470 945458908 /nfs/dbraw/zinc/45/89/08/945458908.db2.gz RDJGPHOTGSIGTN-LLVKDONJSA-N -1 1 385.457 1.447 20 0 GDADMM Cc1nc(C)c(C(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)s1 ZINC001571263470 945458912 /nfs/dbraw/zinc/45/89/12/945458912.db2.gz RDJGPHOTGSIGTN-LLVKDONJSA-N -1 1 385.457 1.447 20 0 GDADMM O=C(c1ccncc1Cl)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571264912 945495276 /nfs/dbraw/zinc/49/52/76/945495276.db2.gz AHEJABRPAHCASO-SNVBAGLBSA-N -1 1 385.819 1.279 20 0 GDADMM O=C(c1ccncc1Cl)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571264912 945495282 /nfs/dbraw/zinc/49/52/82/945495282.db2.gz AHEJABRPAHCASO-SNVBAGLBSA-N -1 1 385.819 1.279 20 0 GDADMM CO[C@H](C)C(=O)N1CC[C@@](C)(CNc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571265017 945497425 /nfs/dbraw/zinc/49/74/25/945497425.db2.gz CLQQHZIJQUDRHF-CLAHSXSESA-N -1 1 385.881 1.662 20 0 GDADMM CO[C@H](C)C(=O)N1CC[C@@](C)(CNc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571265017 945497431 /nfs/dbraw/zinc/49/74/31/945497431.db2.gz CLQQHZIJQUDRHF-CLAHSXSESA-N -1 1 385.881 1.662 20 0 GDADMM CN(C(=O)c1ccncc1Cl)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571265130 945502483 /nfs/dbraw/zinc/50/24/83/945502483.db2.gz DKOUVLRWNCBPAN-JTQLQIEISA-N -1 1 385.819 1.056 20 0 GDADMM CN(C(=O)c1ccncc1Cl)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571265130 945502488 /nfs/dbraw/zinc/50/24/88/945502488.db2.gz DKOUVLRWNCBPAN-JTQLQIEISA-N -1 1 385.819 1.056 20 0 GDADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@H]1CCN(C(=O)c2c(F)cccc2F)C1 ZINC001571267081 945560301 /nfs/dbraw/zinc/56/03/01/945560301.db2.gz ITDKLZFYMSFWRU-JTQLQIEISA-N -1 1 386.366 1.286 20 0 GDADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@H]1CCN(C(=O)c2c(F)cccc2F)C1 ZINC001571267081 945560306 /nfs/dbraw/zinc/56/03/06/945560306.db2.gz ITDKLZFYMSFWRU-JTQLQIEISA-N -1 1 386.366 1.286 20 0 GDADMM O=C(NC[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccc(F)c(F)c1 ZINC001571267086 945560560 /nfs/dbraw/zinc/56/05/60/945560560.db2.gz IYFODFIBMSDUJP-HOMQSWHASA-N -1 1 386.366 1.555 20 0 GDADMM O=C(NC[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccc(F)c(F)c1 ZINC001571267086 945560566 /nfs/dbraw/zinc/56/05/66/945560566.db2.gz IYFODFIBMSDUJP-HOMQSWHASA-N -1 1 386.366 1.555 20 0 GDADMM C[C@]1(NC(=O)c2cccc(F)c2F)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571267135 945563191 /nfs/dbraw/zinc/56/31/91/945563191.db2.gz KJFJWIDHARSMPN-KRWDZBQOSA-N -1 1 386.366 1.334 20 0 GDADMM C[C@]1(NC(=O)c2cccc(F)c2F)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571267135 945563198 /nfs/dbraw/zinc/56/31/98/945563198.db2.gz KJFJWIDHARSMPN-KRWDZBQOSA-N -1 1 386.366 1.334 20 0 GDADMM O=C(N[C@@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2)C1(F)CCCC1 ZINC001571269402 945619509 /nfs/dbraw/zinc/61/95/09/945619509.db2.gz XLVCVZMASDKRKV-CYBMUJFWSA-N -1 1 386.435 1.414 20 0 GDADMM O=C(N[C@@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2)C1(F)CCCC1 ZINC001571269402 945619514 /nfs/dbraw/zinc/61/95/14/945619514.db2.gz XLVCVZMASDKRKV-CYBMUJFWSA-N -1 1 386.435 1.414 20 0 GDADMM Cc1nsc(N[C@@H]2CCN(C(=O)Cc3ccc[nH]3)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571271591 945646926 /nfs/dbraw/zinc/64/69/26/945646926.db2.gz FGDIRLNGQYXNCF-ZWNOBZJWSA-N -1 1 386.485 1.851 20 0 GDADMM O=C(NC[C@H]1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)CC1)[C@@H]1CCCO1 ZINC001571272613 945667659 /nfs/dbraw/zinc/66/76/59/945667659.db2.gz GFDZRGOPHLXGMK-YDHLFZDLSA-N -1 1 386.460 1.170 20 0 GDADMM O=C(NC[C@H]1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)CC1)[C@@H]1CCCO1 ZINC001571272613 945667663 /nfs/dbraw/zinc/66/76/63/945667663.db2.gz GFDZRGOPHLXGMK-YDHLFZDLSA-N -1 1 386.460 1.170 20 0 GDADMM O=C([C@H]1CCCOCC1)N1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571272938 945676197 /nfs/dbraw/zinc/67/61/97/945676197.db2.gz LIPBPPFCNKFROP-UONOGXRCSA-N -1 1 386.460 1.266 20 0 GDADMM O=C([C@H]1CCCOCC1)N1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571272938 945676206 /nfs/dbraw/zinc/67/62/06/945676206.db2.gz LIPBPPFCNKFROP-UONOGXRCSA-N -1 1 386.460 1.266 20 0 GDADMM CCOC[C@@H]1CCN(C(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)C1 ZINC000821367713 945681300 /nfs/dbraw/zinc/68/13/00/945681300.db2.gz MHDHAAOYNMYJEP-CQSZACIVSA-N -1 1 398.471 1.344 20 0 GDADMM CCOC[C@@H]1CCN(C(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)C1 ZINC000821367713 945681307 /nfs/dbraw/zinc/68/13/07/945681307.db2.gz MHDHAAOYNMYJEP-CQSZACIVSA-N -1 1 398.471 1.344 20 0 GDADMM O=C(CC1CCOCC1)N[C@H]1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571273180 945681225 /nfs/dbraw/zinc/68/12/25/945681225.db2.gz RYBGEDQHLRLBAY-HDJSIYSDSA-N -1 1 386.460 1.313 20 0 GDADMM O=C(CC1CCOCC1)N[C@H]1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571273180 945681232 /nfs/dbraw/zinc/68/12/32/945681232.db2.gz RYBGEDQHLRLBAY-HDJSIYSDSA-N -1 1 386.460 1.313 20 0 GDADMM O=C(CCC1CCC1)N1CCC(O)(CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571273217 945682023 /nfs/dbraw/zinc/68/20/23/945682023.db2.gz SUBZLCLTQCHPIB-UHFFFAOYSA-N -1 1 386.460 1.002 20 0 GDADMM O=C(CCC1CCC1)N1CCC(O)(CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571273217 945682029 /nfs/dbraw/zinc/68/20/29/945682029.db2.gz SUBZLCLTQCHPIB-UHFFFAOYSA-N -1 1 386.460 1.002 20 0 GDADMM CCc1nc(N[C@@H]2CCCN(C(=O)[C@@H]3CCCCO3)C2)cc(-c2nnn[n-]2)n1 ZINC001571273241 945683946 /nfs/dbraw/zinc/68/39/46/945683946.db2.gz TXTSEKWKNRSZFX-OCCSQVGLSA-N -1 1 386.460 1.191 20 0 GDADMM CCc1nc(N[C@@H]2CCCN(C(=O)[C@@H]3CCCCO3)C2)cc(-c2nn[n-]n2)n1 ZINC001571273241 945683952 /nfs/dbraw/zinc/68/39/52/945683952.db2.gz TXTSEKWKNRSZFX-OCCSQVGLSA-N -1 1 386.460 1.191 20 0 GDADMM CCc1nc(NCC2CC(NC(=O)[C@@H]3CCCCO3)C2)cc(-c2nnn[n-]2)n1 ZINC001571273561 945692080 /nfs/dbraw/zinc/69/20/80/945692080.db2.gz ZWRXCZDTXMSYGB-YIZWMMSDSA-N -1 1 386.460 1.095 20 0 GDADMM CCc1nc(NCC2CC(NC(=O)[C@@H]3CCCCO3)C2)cc(-c2nn[n-]n2)n1 ZINC001571273561 945692088 /nfs/dbraw/zinc/69/20/88/945692088.db2.gz ZWRXCZDTXMSYGB-YIZWMMSDSA-N -1 1 386.460 1.095 20 0 GDADMM Cn1nc(C(F)(F)F)cc1CNC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001571274901 945701011 /nfs/dbraw/zinc/70/10/11/945701011.db2.gz MKCLNCJQHDIQAL-UHFFFAOYSA-N -1 1 387.272 1.827 20 0 GDADMM Cn1nc(C(F)(F)F)cc1CNC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001571274901 945701016 /nfs/dbraw/zinc/70/10/16/945701016.db2.gz MKCLNCJQHDIQAL-UHFFFAOYSA-N -1 1 387.272 1.827 20 0 GDADMM CCOC(=O)[C@@](NC(=O)c1coc(-c2nnn[n-]2)c1)(C1CCC1)C(F)(F)F ZINC001571275547 945708944 /nfs/dbraw/zinc/70/89/44/945708944.db2.gz WJFWFVZLWKBKOJ-AWEZNQCLSA-N -1 1 387.318 1.854 20 0 GDADMM CCOC(=O)[C@@](NC(=O)c1coc(-c2nn[n-]n2)c1)(C1CCC1)C(F)(F)F ZINC001571275547 945708954 /nfs/dbraw/zinc/70/89/54/945708954.db2.gz WJFWFVZLWKBKOJ-AWEZNQCLSA-N -1 1 387.318 1.854 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)C1CCOCC1 ZINC001571275754 945713629 /nfs/dbraw/zinc/71/36/29/945713629.db2.gz BWIIZFOEOCXWCB-CYBMUJFWSA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)C1CCOCC1 ZINC001571275754 945713632 /nfs/dbraw/zinc/71/36/32/945713632.db2.gz BWIIZFOEOCXWCB-CYBMUJFWSA-N -1 1 386.460 1.122 20 0 GDADMM CCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCN(C(=O)[C@@]2(C)CCOC2)CC1 ZINC001571275798 945715949 /nfs/dbraw/zinc/71/59/49/945715949.db2.gz CPZNSPVZQVXVOS-KRWDZBQOSA-N -1 1 386.460 1.266 20 0 GDADMM CCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCN(C(=O)[C@@]2(C)CCOC2)CC1 ZINC001571275798 945715958 /nfs/dbraw/zinc/71/59/58/945715958.db2.gz CPZNSPVZQVXVOS-KRWDZBQOSA-N -1 1 386.460 1.266 20 0 GDADMM CC1(CC(=O)N2CCO[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)CCCC1 ZINC001571276584 945731584 /nfs/dbraw/zinc/73/15/84/945731584.db2.gz JBNDOYUNLGPSEJ-CYBMUJFWSA-N -1 1 386.460 1.266 20 0 GDADMM CC1(CC(=O)N2CCO[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)CCCC1 ZINC001571276584 945731594 /nfs/dbraw/zinc/73/15/94/945731594.db2.gz JBNDOYUNLGPSEJ-CYBMUJFWSA-N -1 1 386.460 1.266 20 0 GDADMM CCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCN(C(=O)[C@@H]2CCO[C@H]2C)CC1 ZINC001571276576 945732775 /nfs/dbraw/zinc/73/27/75/945732775.db2.gz ITTHRSOOHXZTBT-QWHCGFSZSA-N -1 1 386.460 1.265 20 0 GDADMM CCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCN(C(=O)[C@@H]2CCO[C@H]2C)CC1 ZINC001571276576 945732786 /nfs/dbraw/zinc/73/27/86/945732786.db2.gz ITTHRSOOHXZTBT-QWHCGFSZSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC2(O)CCC2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571277556 945743268 /nfs/dbraw/zinc/74/32/68/945743268.db2.gz LPWJADNRBCPTCJ-OCCSQVGLSA-N -1 1 386.460 1.001 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC2(O)CCC2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571277556 945743275 /nfs/dbraw/zinc/74/32/75/945743275.db2.gz LPWJADNRBCPTCJ-OCCSQVGLSA-N -1 1 386.460 1.001 20 0 GDADMM CCC1(C(=O)N2CCO[C@H]([C@@H](C)Nc3cncc(-c4nnn[n-]4)n3)C2)CCC1 ZINC001571278480 945754185 /nfs/dbraw/zinc/75/41/85/945754185.db2.gz NXQIQHXBQABPBY-OCCSQVGLSA-N -1 1 386.460 1.265 20 0 GDADMM CCC1(C(=O)N2CCO[C@H]([C@@H](C)Nc3cncc(-c4nn[n-]n4)n3)C2)CCC1 ZINC001571278480 945754190 /nfs/dbraw/zinc/75/41/90/945754190.db2.gz NXQIQHXBQABPBY-OCCSQVGLSA-N -1 1 386.460 1.265 20 0 GDADMM CC(C)(C)OC(=O)N[C@H](CC(=O)NCc1ccnc(-c2nnn[n-]2)c1)C1CC1 ZINC001571278715 945757820 /nfs/dbraw/zinc/75/78/20/945757820.db2.gz APCDJZFAQZQGQV-CYBMUJFWSA-N -1 1 387.444 1.571 20 0 GDADMM CC(C)(C)OC(=O)N[C@H](CC(=O)NCc1ccnc(-c2nn[n-]n2)c1)C1CC1 ZINC001571278715 945757826 /nfs/dbraw/zinc/75/78/26/945757826.db2.gz APCDJZFAQZQGQV-CYBMUJFWSA-N -1 1 387.444 1.571 20 0 GDADMM CC[C@H]1CC[C@@H](C(=O)N2CCC(C)(Nc3cncc(-c4nnn[n-]4)n3)CC2)O1 ZINC001571279321 945776020 /nfs/dbraw/zinc/77/60/20/945776020.db2.gz UXTXRQUPOASMNX-JSGCOSHPSA-N -1 1 386.460 1.407 20 0 GDADMM CC[C@H]1CC[C@@H](C(=O)N2CCC(C)(Nc3cncc(-c4nn[n-]n4)n3)CC2)O1 ZINC001571279321 945776033 /nfs/dbraw/zinc/77/60/33/945776033.db2.gz UXTXRQUPOASMNX-JSGCOSHPSA-N -1 1 386.460 1.407 20 0 GDADMM CCn1cc(CC(=O)N[C@H]2C[C@H](Nc3snc(C)c3-c3nn[n-]n3)C2)cn1 ZINC001571281635 945807688 /nfs/dbraw/zinc/80/76/88/945807688.db2.gz KKCYRVUUHNCKIM-HAQNSBGRSA-N -1 1 387.473 1.150 20 0 GDADMM CCn1cc(C(=O)N2C[C@@H](Nc3snc(C)c3-c3nn[n-]n3)C[C@@H]2C)cn1 ZINC001571281760 945814108 /nfs/dbraw/zinc/81/41/08/945814108.db2.gz NICKRJSINNZQKP-CABZTGNLSA-N -1 1 387.473 1.563 20 0 GDADMM Cc1nsc(N[C@H]2CCN(C(=O)CCc3ccn(C)n3)C2)c1-c1nn[n-]n1 ZINC001571281750 945814857 /nfs/dbraw/zinc/81/48/57/945814857.db2.gz NBYSMKCRTSFTBA-LBPRGKRZSA-N -1 1 387.473 1.011 20 0 GDADMM Cc1n[nH]cc1C(=O)N1CCC[C@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571281801 945817789 /nfs/dbraw/zinc/81/77/89/945817789.db2.gz NZCPFKAXPDNXGH-LLVKDONJSA-N -1 1 387.473 1.627 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)c3cc(Cl)cn3C)C2)n1 ZINC001571283734 945891804 /nfs/dbraw/zinc/89/18/04/945891804.db2.gz IVLDKQIZHQCTSK-LLVKDONJSA-N -1 1 387.835 1.284 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)c3cc(Cl)cn3C)C2)n1 ZINC001571283734 945891820 /nfs/dbraw/zinc/89/18/20/945891820.db2.gz IVLDKQIZHQCTSK-LLVKDONJSA-N -1 1 387.835 1.284 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(Cl)[nH]2)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571283939 945894656 /nfs/dbraw/zinc/89/46/56/945894656.db2.gz LJMRDXGJHWXRMN-UWVGGRQHSA-N -1 1 387.835 1.601 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(Cl)[nH]2)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571283939 945894667 /nfs/dbraw/zinc/89/46/67/945894667.db2.gz LJMRDXGJHWXRMN-UWVGGRQHSA-N -1 1 387.835 1.601 20 0 GDADMM C[C@@H]1CN(C(=O)c2cc(Cl)c[nH]2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571284620 945902194 /nfs/dbraw/zinc/90/21/94/945902194.db2.gz RQAVFBJMAIOZEO-ZJUUUORDSA-N -1 1 387.835 1.458 20 0 GDADMM C[C@@H]1CN(C(=O)c2cc(Cl)c[nH]2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571284620 945902197 /nfs/dbraw/zinc/90/21/97/945902197.db2.gz RQAVFBJMAIOZEO-ZJUUUORDSA-N -1 1 387.835 1.458 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC[C@@H](O)c2ccccc2F)cc1-c1nn[n-]n1 ZINC000821977271 945912247 /nfs/dbraw/zinc/91/22/47/945912247.db2.gz FIGXHUGZEQLPQX-GFCCVEGCSA-N -1 1 390.400 1.292 20 0 GDADMM Cn1cc(Cl)cc1C(=O)N[C@@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571285440 945917867 /nfs/dbraw/zinc/91/78/67/945917867.db2.gz DQCWDPQFXVXZSN-INIZCTEOSA-N -1 1 387.835 1.047 20 0 GDADMM Cn1cc(Cl)cc1C(=O)N[C@@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571285440 945917875 /nfs/dbraw/zinc/91/78/75/945917875.db2.gz DQCWDPQFXVXZSN-INIZCTEOSA-N -1 1 387.835 1.047 20 0 GDADMM O=C(N[C@@H]1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1cc(Cl)c[nH]1 ZINC001571285560 945920477 /nfs/dbraw/zinc/92/04/77/945920477.db2.gz IDVKOAXAHBAHRO-MWLCHTKSSA-N -1 1 387.835 1.649 20 0 GDADMM O=C(N[C@@H]1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1cc(Cl)c[nH]1 ZINC001571285560 945920486 /nfs/dbraw/zinc/92/04/86/945920486.db2.gz IDVKOAXAHBAHRO-MWLCHTKSSA-N -1 1 387.835 1.649 20 0 GDADMM O=C(NC[C@H]1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cc(Cl)c[nH]1 ZINC001571286103 945936718 /nfs/dbraw/zinc/93/67/18/945936718.db2.gz XZHMMGHPUAJSTK-GXSJLCMTSA-N -1 1 387.835 1.649 20 0 GDADMM O=C(NC[C@H]1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cc(Cl)c[nH]1 ZINC001571286103 945936727 /nfs/dbraw/zinc/93/67/27/945936727.db2.gz XZHMMGHPUAJSTK-GXSJLCMTSA-N -1 1 387.835 1.649 20 0 GDADMM O=C(N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1)c1cc(Cl)c[nH]1 ZINC001571286125 945937945 /nfs/dbraw/zinc/93/79/45/945937945.db2.gz YPYGQYQKGCVJNW-NSHDSACASA-N -1 1 387.835 1.427 20 0 GDADMM O=C(N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1)c1cc(Cl)c[nH]1 ZINC001571286125 945937954 /nfs/dbraw/zinc/93/79/54/945937954.db2.gz YPYGQYQKGCVJNW-NSHDSACASA-N -1 1 387.835 1.427 20 0 GDADMM CC(C)(C)OC(=O)N1[C@H](C(=O)Nc2n[nH]cc2-c2nnn[n-]2)CC[C@H]1C1CC1 ZINC001571286538 945950625 /nfs/dbraw/zinc/95/06/25/945950625.db2.gz KGCCYGXWQYTLFE-RYUDHWBXSA-N -1 1 388.432 1.706 20 0 GDADMM CC(C)(C)OC(=O)N1[C@H](C(=O)Nc2n[nH]cc2-c2nn[n-]n2)CC[C@H]1C1CC1 ZINC001571286538 945950629 /nfs/dbraw/zinc/95/06/29/945950629.db2.gz KGCCYGXWQYTLFE-RYUDHWBXSA-N -1 1 388.432 1.706 20 0 GDADMM Cc1nsc(NC[C@H]2CCCN2C(=O)c2ccncc2F)c1-c1nn[n-]n1 ZINC001571286786 945957779 /nfs/dbraw/zinc/95/77/79/945957779.db2.gz RNEQQFCCYDPNCX-SNVBAGLBSA-N -1 1 388.432 1.882 20 0 GDADMM O=C(N[C@H]1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1)c1ccc(F)s1 ZINC001571287406 945973322 /nfs/dbraw/zinc/97/33/22/945973322.db2.gz DAZOVATVHWCBOP-UWVGGRQHSA-N -1 1 388.432 1.868 20 0 GDADMM O=C(N[C@H]1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1)c1ccc(F)s1 ZINC001571287406 945973328 /nfs/dbraw/zinc/97/33/28/945973328.db2.gz DAZOVATVHWCBOP-UWVGGRQHSA-N -1 1 388.432 1.868 20 0 GDADMM CC[C@H](F)C(=O)N1CCC2(CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)CC1 ZINC001571289766 946018405 /nfs/dbraw/zinc/01/84/05/946018405.db2.gz LYWPKGIHAYDYMS-ZDUSSCGKSA-N -1 1 388.451 1.532 20 0 GDADMM CC[C@H](F)C(=O)N1CCC2(CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571289766 946018415 /nfs/dbraw/zinc/01/84/15/946018415.db2.gz LYWPKGIHAYDYMS-ZDUSSCGKSA-N -1 1 388.451 1.532 20 0 GDADMM Cc1ncc(CC(=O)N2C[C@@H](C)[C@H](Nc3snc(C)c3-c3nn[n-]n3)C2)o1 ZINC001571290245 946036336 /nfs/dbraw/zinc/03/63/36/946036336.db2.gz YLIZALOSXZNJQF-PRHODGIISA-N -1 1 388.457 1.430 20 0 GDADMM O=C(NC[C@H]1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ccc(Cl)o1 ZINC001571290552 946047412 /nfs/dbraw/zinc/04/74/12/946047412.db2.gz IPDCLEXCLHNPIL-VHSXEESVSA-N -1 1 388.819 1.914 20 0 GDADMM O=C(NC[C@H]1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ccc(Cl)o1 ZINC001571290552 946047425 /nfs/dbraw/zinc/04/74/25/946047425.db2.gz IPDCLEXCLHNPIL-VHSXEESVSA-N -1 1 388.819 1.914 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(Cl)o2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571290623 946050557 /nfs/dbraw/zinc/05/05/57/946050557.db2.gz KKSJJSXWWDDODN-VHSXEESVSA-N -1 1 388.819 1.723 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(Cl)o2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571290623 946050569 /nfs/dbraw/zinc/05/05/69/946050569.db2.gz KKSJJSXWWDDODN-VHSXEESVSA-N -1 1 388.819 1.723 20 0 GDADMM O=C(N[C@H]1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1ccoc1Cl ZINC001571290653 946051619 /nfs/dbraw/zinc/05/16/19/946051619.db2.gz KVORYUHIAUNKJO-ZJUUUORDSA-N -1 1 388.819 1.336 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(Cl)o2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571290795 946056417 /nfs/dbraw/zinc/05/64/17/946056417.db2.gz PGALCTFOEPTWIW-NXEZZACHSA-N -1 1 388.819 1.723 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(Cl)o2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571290795 946056430 /nfs/dbraw/zinc/05/64/30/946056430.db2.gz PGALCTFOEPTWIW-NXEZZACHSA-N -1 1 388.819 1.723 20 0 GDADMM CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001571291110 946069615 /nfs/dbraw/zinc/06/96/15/946069615.db2.gz BTDFYSLTCHQRKD-KRWDZBQOSA-N -1 1 389.416 1.226 20 0 GDADMM CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001571291110 946069632 /nfs/dbraw/zinc/06/96/32/946069632.db2.gz BTDFYSLTCHQRKD-KRWDZBQOSA-N -1 1 389.416 1.226 20 0 GDADMM O=C(N[C@]12CCC[C@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2)C1CC(F)(F)C1 ZINC001571294470 946137151 /nfs/dbraw/zinc/13/71/51/946137151.db2.gz IBZYJVZNFXQEAD-BZNIZROVSA-N -1 1 390.398 1.320 20 0 GDADMM COC(=O)c1ccc(CNc2cncc(-c3nnn[n-]3)n2)c(Br)c1 ZINC001571294829 946145537 /nfs/dbraw/zinc/14/55/37/946145537.db2.gz NEAOMTFOFXAUHB-UHFFFAOYSA-N -1 1 390.201 1.818 20 0 GDADMM COC(=O)c1ccc(CNc2cncc(-c3nn[n-]n3)n2)c(Br)c1 ZINC001571294829 946145545 /nfs/dbraw/zinc/14/55/45/946145545.db2.gz NEAOMTFOFXAUHB-UHFFFAOYSA-N -1 1 390.201 1.818 20 0 GDADMM O=C([C@H]1C[C@@H]1C(F)F)N1CCC[C@@H]2[C@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001571296299 946191625 /nfs/dbraw/zinc/19/16/25/946191625.db2.gz TXKLZAWALOBPFE-YRRQLQLVSA-N -1 1 390.398 1.128 20 0 GDADMM O=C([C@H]1C[C@@H]1C(F)F)N1CCC[C@@H]2[C@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001571296299 946191636 /nfs/dbraw/zinc/19/16/36/946191636.db2.gz TXKLZAWALOBPFE-YRRQLQLVSA-N -1 1 390.398 1.128 20 0 GDADMM COC(=O)c1cc(CNC(=O)Nc2snc(C)c2-c2nnn[n-]2)n(C)c1C ZINC001571296384 946194115 /nfs/dbraw/zinc/19/41/15/946194115.db2.gz WMGHUASLGLEWAM-UHFFFAOYSA-N -1 1 390.429 1.387 20 0 GDADMM COC(=O)c1cc(CNC(=O)Nc2snc(C)c2-c2nn[n-]n2)n(C)c1C ZINC001571296384 946194121 /nfs/dbraw/zinc/19/41/21/946194121.db2.gz WMGHUASLGLEWAM-UHFFFAOYSA-N -1 1 390.429 1.387 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC2CC(N(C)C(=O)[C@H]3Cc4ccccc43)C2)n1 ZINC001571298152 946209534 /nfs/dbraw/zinc/20/95/34/946209534.db2.gz ASZYNNSJQOBGGQ-XUJLQICISA-N -1 1 390.451 1.706 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC2CC(N(C)C(=O)[C@H]3Cc4ccccc43)C2)n1 ZINC001571298152 946209545 /nfs/dbraw/zinc/20/95/45/946209545.db2.gz ASZYNNSJQOBGGQ-XUJLQICISA-N -1 1 390.451 1.706 20 0 GDADMM Cc1nsc(NC[C@@H]2CN(C(=O)c3ccsn3)C[C@@H]2C)c1-c1nn[n-]n1 ZINC001571298452 946216594 /nfs/dbraw/zinc/21/65/94/946216594.db2.gz OFAHJKXAWKQPDU-WCBMZHEXSA-N -1 1 390.498 1.908 20 0 GDADMM CC[C@@H](SC)C(=O)N1CCCC[C@@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001571298574 946221066 /nfs/dbraw/zinc/22/10/66/946221066.db2.gz BDAOKYKNELPFNQ-CHWSQXEVSA-N -1 1 390.517 1.403 20 0 GDADMM CCc1cccc(CC(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nnn[n-]2)c1 ZINC001571298888 946232277 /nfs/dbraw/zinc/23/22/77/946232277.db2.gz LKZFBSQVVKZMBD-HOTGVXAUSA-N -1 1 390.451 1.251 20 0 GDADMM CCc1cccc(CC(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nn[n-]n2)c1 ZINC001571298888 946232288 /nfs/dbraw/zinc/23/22/88/946232288.db2.gz LKZFBSQVVKZMBD-HOTGVXAUSA-N -1 1 390.451 1.251 20 0 GDADMM C[C@]1(c2ccccc2)C[C@H]1C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571299422 946251208 /nfs/dbraw/zinc/25/12/08/946251208.db2.gz QQKYZCKJHNHDEP-AUSJPIAWSA-N -1 1 390.451 1.647 20 0 GDADMM C[C@]1(c2ccccc2)C[C@H]1C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571299422 946251218 /nfs/dbraw/zinc/25/12/18/946251218.db2.gz QQKYZCKJHNHDEP-AUSJPIAWSA-N -1 1 390.451 1.647 20 0 GDADMM O=C(CCc1ccccc1)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001571299691 946259513 /nfs/dbraw/zinc/25/95/13/946259513.db2.gz ZEDHXHHLJALEFF-IYBDPMFKSA-N -1 1 390.451 1.184 20 0 GDADMM O=C(CCc1ccccc1)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571299691 946259525 /nfs/dbraw/zinc/25/95/25/946259525.db2.gz ZEDHXHHLJALEFF-IYBDPMFKSA-N -1 1 390.451 1.184 20 0 GDADMM O=C(NC1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)CC1)c1cccnc1 ZINC001571299938 946267306 /nfs/dbraw/zinc/26/73/06/946267306.db2.gz RLUFWOLPIHLHQP-UHFFFAOYSA-N -1 1 390.860 1.770 20 0 GDADMM O=C(NC1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)CC1)c1cccnc1 ZINC001571299938 946267320 /nfs/dbraw/zinc/26/73/20/946267320.db2.gz RLUFWOLPIHLHQP-UHFFFAOYSA-N -1 1 390.860 1.770 20 0 GDADMM Cc1cccc(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1 ZINC001571300024 946270628 /nfs/dbraw/zinc/27/06/28/946270628.db2.gz YFNPOKDEYZXLND-YCPHGPKFSA-N -1 1 390.451 1.813 20 0 GDADMM Cc1cccc(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1 ZINC001571300024 946270636 /nfs/dbraw/zinc/27/06/36/946270636.db2.gz YFNPOKDEYZXLND-YCPHGPKFSA-N -1 1 390.451 1.813 20 0 GDADMM Cc1ccc(C(=O)N[C@@]23CCC[C@@H]2N(c2cnc(-c4nnn[n-]4)cn2)CC3)cn1 ZINC001571302529 946305584 /nfs/dbraw/zinc/30/55/84/946305584.db2.gz AEQZOFVNRFMODT-HNAYVOBHSA-N -1 1 391.439 1.292 20 0 GDADMM Cc1ccc(C(=O)N[C@@]23CCC[C@@H]2N(c2cnc(-c4nn[n-]n4)cn2)CC3)cn1 ZINC001571302529 946305596 /nfs/dbraw/zinc/30/55/96/946305596.db2.gz AEQZOFVNRFMODT-HNAYVOBHSA-N -1 1 391.439 1.292 20 0 GDADMM O=C(NC[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)[C@@H]1CCc2cccnc21 ZINC001571302846 946314841 /nfs/dbraw/zinc/31/48/41/946314841.db2.gz HOBNFRKSGAXYST-MRVWCRGKSA-N -1 1 391.439 1.088 20 0 GDADMM O=C(NC[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)[C@@H]1CCc2cccnc21 ZINC001571302846 946314851 /nfs/dbraw/zinc/31/48/51/946314851.db2.gz HOBNFRKSGAXYST-MRVWCRGKSA-N -1 1 391.439 1.088 20 0 GDADMM COc1ncc(NC(=O)[C@H](C)CN(C)C(=O)OC(C)(C)C)cc1-c1nn[n-]n1 ZINC001571302970 946322385 /nfs/dbraw/zinc/32/23/85/946322385.db2.gz GCGFVYLKKUUGRS-SNVBAGLBSA-N -1 1 391.432 1.712 20 0 GDADMM Cc1cccnc1C(=O)NC1CC2(C1)CC(Nc1cncc(-c3nnn[n-]3)n1)C2 ZINC001571303237 946328501 /nfs/dbraw/zinc/32/85/01/946328501.db2.gz MKSSVVBSJMOHKM-UHFFFAOYSA-N -1 1 391.439 1.513 20 0 GDADMM Cc1cccnc1C(=O)NC1CC2(C1)CC(Nc1cncc(-c3nn[n-]n3)n1)C2 ZINC001571303237 946328513 /nfs/dbraw/zinc/32/85/13/946328513.db2.gz MKSSVVBSJMOHKM-UHFFFAOYSA-N -1 1 391.439 1.513 20 0 GDADMM O=C(NC1CC(CNc2nccnc2-c2nnn[n-]2)C1)[C@@H]1C[C@H]1c1ccncc1 ZINC001571303723 946346160 /nfs/dbraw/zinc/34/61/60/946346160.db2.gz VZOSNCKXAJHTBH-RIXNLZLZSA-N -1 1 391.439 1.162 20 0 GDADMM O=C(NC1CC(CNc2nccnc2-c2nn[n-]n2)C1)[C@@H]1C[C@H]1c1ccncc1 ZINC001571303723 946346170 /nfs/dbraw/zinc/34/61/70/946346170.db2.gz VZOSNCKXAJHTBH-RIXNLZLZSA-N -1 1 391.439 1.162 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1nc(Cl)cs1 ZINC001571305479 946364065 /nfs/dbraw/zinc/36/40/65/946364065.db2.gz CEJFZFUAMVKPHE-QMMMGPOBSA-N -1 1 391.848 1.165 20 0 GDADMM Cc1nsc(N2CCCC[C@@H]2CNC(=O)c2cnns2)c1-c1nn[n-]n1 ZINC001571305539 946365943 /nfs/dbraw/zinc/36/59/43/946365943.db2.gz DSMJHIVROASPEG-SECBINFHSA-N -1 1 391.486 1.272 20 0 GDADMM CN(C(=O)c1csc(Cl)n1)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571305682 946372215 /nfs/dbraw/zinc/37/22/15/946372215.db2.gz JGPJENUNRDNSMI-MRVPVSSYSA-N -1 1 391.848 1.118 20 0 GDADMM CN(C(=O)c1csc(Cl)n1)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571305682 946372227 /nfs/dbraw/zinc/37/22/27/946372227.db2.gz JGPJENUNRDNSMI-MRVPVSSYSA-N -1 1 391.848 1.118 20 0 GDADMM Cc1nsc(NC[C@H]2CC[C@H](NC(=O)C3CCOCC3)C2)c1-c1nn[n-]n1 ZINC001571305859 946379551 /nfs/dbraw/zinc/37/95/51/946379551.db2.gz MDBRLPXBAZYVKV-AAEUAGOBSA-N -1 1 391.501 1.755 20 0 GDADMM O=C(c1scnc1Cl)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571306382 946397316 /nfs/dbraw/zinc/39/73/16/946397316.db2.gz USPAOKKPTXOKQX-QMMMGPOBSA-N -1 1 391.848 1.483 20 0 GDADMM O=C(c1scnc1Cl)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571306382 946397328 /nfs/dbraw/zinc/39/73/28/946397328.db2.gz USPAOKKPTXOKQX-QMMMGPOBSA-N -1 1 391.848 1.483 20 0 GDADMM Cc1nsc(N2CCC(CNC(=O)[C@@H]3CCO[C@H]3C)CC2)c1-c1nn[n-]n1 ZINC001571306541 946402294 /nfs/dbraw/zinc/40/22/94/946402294.db2.gz WYNISPPHIWQTSE-WCQYABFASA-N -1 1 391.501 1.389 20 0 GDADMM CS(=O)(=O)C[C@H](C(=O)NCc1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC001571306770 946410009 /nfs/dbraw/zinc/41/00/09/946410009.db2.gz PIXIGLPPSJGOMU-ZDUSSCGKSA-N -1 1 391.478 1.373 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(C(F)F)CC2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571307233 946420746 /nfs/dbraw/zinc/42/07/46/946420746.db2.gz AFUJHDYEDKIIPL-MNOVXSKESA-N -1 1 392.414 1.020 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571307883 946427323 /nfs/dbraw/zinc/42/73/23/946427323.db2.gz IVMIOANJILFGPZ-QWRGUYRKSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571307883 946427329 /nfs/dbraw/zinc/42/73/29/946427329.db2.gz IVMIOANJILFGPZ-QWRGUYRKSA-N -1 1 392.414 1.599 20 0 GDADMM O=S(=O)(NCC1CCC(C(F)(F)F)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823573545 946449132 /nfs/dbraw/zinc/44/91/32/946449132.db2.gz WLJGAFVWYKHRJY-UHFFFAOYSA-N -1 1 390.391 1.909 20 0 GDADMM O=S(=O)(NCC1CCC(C(F)(F)F)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823573545 946449138 /nfs/dbraw/zinc/44/91/38/946449138.db2.gz WLJGAFVWYKHRJY-UHFFFAOYSA-N -1 1 390.391 1.909 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccc2c(c1)CCO2 ZINC001571309626 946449552 /nfs/dbraw/zinc/44/95/52/946449552.db2.gz FVKZWIKCWGYUNM-SMDDNHRTSA-N -1 1 392.423 1.307 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccc2c(c1)CCO2 ZINC001571309626 946449560 /nfs/dbraw/zinc/44/95/60/946449560.db2.gz FVKZWIKCWGYUNM-SMDDNHRTSA-N -1 1 392.423 1.307 20 0 GDADMM O=C(N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)[C@@H]1CCCC(F)(F)C1 ZINC001571309646 946451364 /nfs/dbraw/zinc/45/13/64/946451364.db2.gz GQLBQVYSBVMQGP-NEPJUHHUSA-N -1 1 392.414 1.567 20 0 GDADMM O=C(N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)[C@@H]1CCCC(F)(F)C1 ZINC001571309646 946451369 /nfs/dbraw/zinc/45/13/69/946451369.db2.gz GQLBQVYSBVMQGP-NEPJUHHUSA-N -1 1 392.414 1.567 20 0 GDADMM O=C(N[C@@]12CCC[C@@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2)c1ccccc1O ZINC001571309912 946456401 /nfs/dbraw/zinc/45/64/01/946456401.db2.gz PFGVNDPWGHYJFB-HNAYVOBHSA-N -1 1 392.423 1.294 20 0 GDADMM C[C@@H]1Cc2cc(C(=O)N3CC[C@H](Nc4cnc(-c5nnn[n-]5)cn4)C3)ccc2O1 ZINC001571310159 946464349 /nfs/dbraw/zinc/46/43/49/946464349.db2.gz XDFRBVORIUWZTA-RISCZKNCSA-N -1 1 392.423 1.307 20 0 GDADMM C[C@@H]1Cc2cc(C(=O)N3CC[C@H](Nc4cnc(-c5nn[n-]n5)cn4)C3)ccc2O1 ZINC001571310159 946464355 /nfs/dbraw/zinc/46/43/55/946464355.db2.gz XDFRBVORIUWZTA-RISCZKNCSA-N -1 1 392.423 1.307 20 0 GDADMM CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC001571311041 946480794 /nfs/dbraw/zinc/48/07/94/946480794.db2.gz QOKHHPAJMUWZQC-UHFFFAOYSA-N -1 1 392.466 1.156 20 0 GDADMM O=C(c1ncccc1[O-])N1CC[C@@]2(CCN(c3ncccc3-c3nn[nH]n3)C2)C1 ZINC001571312647 946498052 /nfs/dbraw/zinc/49/80/52/946498052.db2.gz JNEJNCNSDYMUEI-LJQANCHMSA-N -1 1 392.423 1.105 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H](C)[C@H](NC(=O)Cc3ccccc3)C2)n1 ZINC001571312971 946507312 /nfs/dbraw/zinc/50/73/12/946507312.db2.gz GMIMYRFJOSPFSY-CZUORRHYSA-N -1 1 392.467 1.403 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H](C)[C@H](NC(=O)Cc3ccccc3)C2)n1 ZINC001571312971 946507322 /nfs/dbraw/zinc/50/73/22/946507322.db2.gz GMIMYRFJOSPFSY-CZUORRHYSA-N -1 1 392.467 1.403 20 0 GDADMM C[C@H]1CN(C(=O)C2C=CC=CC=C2)CC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571313175 946513842 /nfs/dbraw/zinc/51/38/42/946513842.db2.gz JDXYWCJMQVPFQG-GOEBONIOSA-N -1 1 392.467 1.852 20 0 GDADMM C[C@H]1CN(C(=O)C2C=CC=CC=C2)CC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571313175 946513853 /nfs/dbraw/zinc/51/38/53/946513853.db2.gz JDXYWCJMQVPFQG-GOEBONIOSA-N -1 1 392.467 1.852 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC001571313719 946530217 /nfs/dbraw/zinc/53/02/17/946530217.db2.gz UTGHSJIWXYRZSY-ZBFHGGJFSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC001571313719 946530230 /nfs/dbraw/zinc/53/02/30/946530230.db2.gz UTGHSJIWXYRZSY-ZBFHGGJFSA-N -1 1 392.467 1.888 20 0 GDADMM CN(C(=O)C1C=CC=CC=C1)C1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571313746 946532425 /nfs/dbraw/zinc/53/24/25/946532425.db2.gz VKIFUMNPRINHDV-UHFFFAOYSA-N -1 1 392.467 1.559 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)[C@H](C)C2)cc1 ZINC001571314742 946542997 /nfs/dbraw/zinc/54/29/97/946542997.db2.gz BXACNZDBIXZKKX-GDBMZVCRSA-N -1 1 392.467 1.857 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)[C@H](C)C2)cc1 ZINC001571314742 946543004 /nfs/dbraw/zinc/54/30/04/946543004.db2.gz BXACNZDBIXZKKX-GDBMZVCRSA-N -1 1 392.467 1.857 20 0 GDADMM Cc1cccc(C(=O)N[C@H]2CC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)c1C ZINC001571315628 946555776 /nfs/dbraw/zinc/55/57/76/946555776.db2.gz MMYUQEYFXYXDFK-GJZGRUSLSA-N -1 1 392.467 1.706 20 0 GDADMM Cc1ccc(C(=O)NC[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C)c(C)c1 ZINC001571315474 946556159 /nfs/dbraw/zinc/55/61/59/946556159.db2.gz LREFJHGPYZFDGB-HUUCEWRRSA-N -1 1 392.467 1.776 20 0 GDADMM Cc1ccc(C(=O)NC[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C)c(C)c1 ZINC001571315474 946556170 /nfs/dbraw/zinc/55/61/70/946556170.db2.gz LREFJHGPYZFDGB-HUUCEWRRSA-N -1 1 392.467 1.776 20 0 GDADMM Cc1cccc([C@@H](C)C(=O)N2CC[C@H](N(C)c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571315834 946560821 /nfs/dbraw/zinc/56/08/21/946560821.db2.gz PAMYLVDZKOKGGI-ZBFHGGJFSA-N -1 1 392.467 1.806 20 0 GDADMM Cc1ccc(C)c(CC(=O)NC2CC(CNc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571316105 946565841 /nfs/dbraw/zinc/56/58/41/946565841.db2.gz UFPRDMVKTRMIBQ-UHFFFAOYSA-N -1 1 392.467 1.245 20 0 GDADMM Cc1cccc(CC(=O)N[C@H]2CCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571316509 946579059 /nfs/dbraw/zinc/57/90/59/946579059.db2.gz FCFZZVOGVFPZKT-HOTGVXAUSA-N -1 1 392.467 1.469 20 0 GDADMM C[C@@H]1OC[C@]2(CC[C@@H](CNC(=O)NCc3ccc(-c4nn[n-]n4)s3)O2)[C@H]1C ZINC001571317591 946614477 /nfs/dbraw/zinc/61/44/77/946614477.db2.gz NWMRNCCKGNFVPD-GUUCOKDPSA-N -1 1 392.485 1.700 20 0 GDADMM Cc1nsc(NC(=O)NC2(C(=O)NCC(C)C)CCCC2)c1-c1nnn[n-]1 ZINC001571317716 946619446 /nfs/dbraw/zinc/61/94/46/946619446.db2.gz SEIUEIUYXBTYJR-UHFFFAOYSA-N -1 1 392.489 1.838 20 0 GDADMM Cc1nsc(NC(=O)NC2(C(=O)NCC(C)C)CCCC2)c1-c1nn[n-]n1 ZINC001571317716 946619453 /nfs/dbraw/zinc/61/94/53/946619453.db2.gz SEIUEIUYXBTYJR-UHFFFAOYSA-N -1 1 392.489 1.838 20 0 GDADMM O=C(N[C@@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1)c1cccc(=O)[nH]1 ZINC001571317804 946621951 /nfs/dbraw/zinc/62/19/51/946621951.db2.gz WABNIQVIQYKSAA-SSDOTTSWSA-N -1 1 392.832 1.086 20 0 GDADMM O=C(N[C@@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1)c1cccc(=O)[nH]1 ZINC001571317804 946621961 /nfs/dbraw/zinc/62/19/61/946621961.db2.gz WABNIQVIQYKSAA-SSDOTTSWSA-N -1 1 392.832 1.086 20 0 GDADMM CC(=O)NC[C@H]1CC2(CO1)CCN(c1snc(C)c1-c1nn[n-]n1)CC2 ZINC001573530535 946698955 /nfs/dbraw/zinc/69/89/55/946698955.db2.gz UVHZOTPNJPEIJT-GFCCVEGCSA-N -1 1 377.474 1.143 20 0 GDADMM CC(=O)Nc1cccc2c1CCN(C(=O)Nc1ccnc(-c3nnn[n-]3)c1)C2 ZINC001573548333 946851257 /nfs/dbraw/zinc/85/12/57/946851257.db2.gz ITUSLPVUOLHIEO-UHFFFAOYSA-N -1 1 378.396 1.810 20 0 GDADMM CC(=O)Nc1cccc2c1CCN(C(=O)Nc1ccnc(-c3nn[n-]n3)c1)C2 ZINC001573548333 946851267 /nfs/dbraw/zinc/85/12/67/946851267.db2.gz ITUSLPVUOLHIEO-UHFFFAOYSA-N -1 1 378.396 1.810 20 0 GDADMM CC(=O)Nc1ccccc1C(F)(F)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001573548722 946855530 /nfs/dbraw/zinc/85/55/30/946855530.db2.gz RLVOMOJVQFUKRM-UHFFFAOYSA-N -1 1 376.327 1.289 20 0 GDADMM CC(=O)Nc1ccccc1C(F)(F)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001573548722 946855539 /nfs/dbraw/zinc/85/55/39/946855539.db2.gz RLVOMOJVQFUKRM-UHFFFAOYSA-N -1 1 376.327 1.289 20 0 GDADMM CC(=O)OCCn1cc(-c2nn[n-]n2)c(=O)c2cc(Br)ccc21 ZINC001573552584 946876658 /nfs/dbraw/zinc/87/66/58/946876658.db2.gz RSKABUXVEDPFST-UHFFFAOYSA-N -1 1 378.186 1.507 20 0 GDADMM C[C@H]1CC[C@@H](C(=O)OCC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)C1 ZINC000824908001 946989309 /nfs/dbraw/zinc/98/93/09/946989309.db2.gz MBECHDFPTINORB-QWHCGFSZSA-N -1 1 395.423 1.970 20 0 GDADMM C[C@H]1CC[C@@H](C(=O)OCC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)C1 ZINC000824908001 946989322 /nfs/dbraw/zinc/98/93/22/946989322.db2.gz MBECHDFPTINORB-QWHCGFSZSA-N -1 1 395.423 1.970 20 0 GDADMM C[C@@H]1COc2ccccc2CN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825014992 947046575 /nfs/dbraw/zinc/04/65/75/947046575.db2.gz YPFYRNCIIHZMLC-LLVKDONJSA-N -1 1 389.412 1.978 20 0 GDADMM C[C@@H]1COc2ccccc2CN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825014992 947046583 /nfs/dbraw/zinc/04/65/83/947046583.db2.gz YPFYRNCIIHZMLC-LLVKDONJSA-N -1 1 389.412 1.978 20 0 GDADMM CCOC(=O)[C@@]1(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)CCc2ccccc21 ZINC000825491933 947202171 /nfs/dbraw/zinc/20/21/71/947202171.db2.gz AMVKWMKOQHXWEL-LJQANCHMSA-N -1 1 396.407 1.227 20 0 GDADMM CCOC(=O)[C@@]1(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)CCc2ccccc21 ZINC000825491933 947202177 /nfs/dbraw/zinc/20/21/77/947202177.db2.gz AMVKWMKOQHXWEL-LJQANCHMSA-N -1 1 396.407 1.227 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)NCc2ccc(Cl)cc2)c1-c1nn[n-]n1 ZINC000825564607 947222186 /nfs/dbraw/zinc/22/21/86/947222186.db2.gz AYIGCCBHEOFHGF-UHFFFAOYSA-N -1 1 389.803 1.210 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)N(C)Cc2ccccc2F)c1-c1nn[n-]n1 ZINC000825565165 947224652 /nfs/dbraw/zinc/22/46/52/947224652.db2.gz NGWNXSVRSFPLCA-UHFFFAOYSA-N -1 1 387.375 1.038 20 0 GDADMM C[C@@H](C(=O)N(C)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C(C)(F)F ZINC001573593147 947363369 /nfs/dbraw/zinc/36/33/69/947363369.db2.gz QRFMRAKBUFZFIG-JTQLQIEISA-N -1 1 380.403 1.375 20 0 GDADMM C[C@@H](C(=O)N(C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C(C)(F)F ZINC001573593147 947363376 /nfs/dbraw/zinc/36/33/76/947363376.db2.gz QRFMRAKBUFZFIG-JTQLQIEISA-N -1 1 380.403 1.375 20 0 GDADMM C[C@@H](C(=O)N(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1ccco1 ZINC001573593188 947364431 /nfs/dbraw/zinc/36/44/31/947364431.db2.gz IRNVTBWXFWVDGN-DGCLKSJQSA-N -1 1 382.428 1.124 20 0 GDADMM C[C@H](C(=O)N(C)CC(C)(C)CN=c1cc[nH]c(-c2nn[n-]n2)n1)c1ccco1 ZINC001573593380 947367828 /nfs/dbraw/zinc/36/78/28/947367828.db2.gz SIRSLMZRGNRLOM-LBPRGKRZSA-N -1 1 384.444 1.372 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cnc(-c2ccco2)s1 ZINC000825933904 947376034 /nfs/dbraw/zinc/37/60/34/947376034.db2.gz IPMATJPXAYRMRZ-UHFFFAOYSA-N -1 1 399.440 1.593 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cnc(-c2ccco2)s1 ZINC000825933904 947376046 /nfs/dbraw/zinc/37/60/46/947376046.db2.gz IPMATJPXAYRMRZ-UHFFFAOYSA-N -1 1 399.440 1.593 20 0 GDADMM C[C@@H](C(=O)N(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)c1ccco1 ZINC001573593930 947382665 /nfs/dbraw/zinc/38/26/65/947382665.db2.gz NGXKFLXHBXMTBE-BXUZGUMPSA-N -1 1 382.428 1.702 20 0 GDADMM C[C@@H](C(=O)N(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)c1ccco1 ZINC001573593930 947382677 /nfs/dbraw/zinc/38/26/77/947382677.db2.gz NGXKFLXHBXMTBE-BXUZGUMPSA-N -1 1 382.428 1.702 20 0 GDADMM C[C@@H](C(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccsc1 ZINC001573594052 947387613 /nfs/dbraw/zinc/38/76/13/947387613.db2.gz WXFXENXZMCICEW-DGCLKSJQSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@@H](C(=O)N(C)CCCN(C)c1ccnc(-c2nn[n-]n2)n1)c1ccsc1 ZINC001573594639 947403614 /nfs/dbraw/zinc/40/36/14/947403614.db2.gz BPPQXYRHWUOBFX-GFCCVEGCSA-N -1 1 386.485 1.807 20 0 GDADMM C[C@@H](C(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)nn1)c1cccnc1 ZINC001573597912 947440716 /nfs/dbraw/zinc/44/07/16/947440716.db2.gz PIPSFTBOSOZOIM-CYBMUJFWSA-N -1 1 381.444 1.140 20 0 GDADMM C[C@@H](C(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)nn1)c1cccnc1 ZINC001573597912 947440722 /nfs/dbraw/zinc/44/07/22/947440722.db2.gz PIPSFTBOSOZOIM-CYBMUJFWSA-N -1 1 381.444 1.140 20 0 GDADMM C[C@@H](C(=O)N(C)C[C@@H](O)CNc1nc(-c2nn[n-]n2)c(Cl)s1)C1CC1 ZINC001573599575 947457279 /nfs/dbraw/zinc/45/72/79/947457279.db2.gz YHUQXISJJKHKFE-APPZFPTMSA-N -1 1 385.881 1.254 20 0 GDADMM C[C@@H](C(=O)N(C)CCN(C)c1cnc(-c2nnn[n-]2)cn1)c1ccccc1F ZINC001573602987 947475395 /nfs/dbraw/zinc/47/53/95/947475395.db2.gz IAFFPNMZCQCNGE-GFCCVEGCSA-N -1 1 384.419 1.494 20 0 GDADMM C[C@@H](C(=O)N(C)CCN(C)c1cnc(-c2nn[n-]n2)cn1)c1ccccc1F ZINC001573602987 947475402 /nfs/dbraw/zinc/47/54/02/947475402.db2.gz IAFFPNMZCQCNGE-GFCCVEGCSA-N -1 1 384.419 1.494 20 0 GDADMM CC(C)N(CCN(C)c1ccnc(-c2nn[n-]n2)n1)C(=O)[C@@H](C)[C@@H]1CCCO1 ZINC001573603591 947492692 /nfs/dbraw/zinc/49/26/92/947492692.db2.gz IFSTVGRJQSSHRG-KBPBESRZSA-N -1 1 388.476 1.145 20 0 GDADMM C[C@H](C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1)c1ccc(F)cc1F ZINC001573605784 947535285 /nfs/dbraw/zinc/53/52/85/947535285.db2.gz ZTDSPHWTJBFHEZ-JTQLQIEISA-N -1 1 388.382 1.609 20 0 GDADMM C[C@H](C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1)c1ccc(F)cc1F ZINC001573605784 947535290 /nfs/dbraw/zinc/53/52/90/947535290.db2.gz ZTDSPHWTJBFHEZ-JTQLQIEISA-N -1 1 388.382 1.609 20 0 GDADMM COc1cc(C)c([C@H](C)NC(=O)Cc2noc(C)c2-c2nnn[n-]2)cc1OC ZINC000826177729 947551201 /nfs/dbraw/zinc/55/12/01/947551201.db2.gz SECCGIHQNJVLEW-JTQLQIEISA-N -1 1 386.412 1.909 20 0 GDADMM COc1cc(C)c([C@H](C)NC(=O)Cc2noc(C)c2-c2nn[n-]n2)cc1OC ZINC000826177729 947551210 /nfs/dbraw/zinc/55/12/10/947551210.db2.gz SECCGIHQNJVLEW-JTQLQIEISA-N -1 1 386.412 1.909 20 0 GDADMM C[C@@H](C(=O)N1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1)c1ccco1 ZINC001573613597 947566501 /nfs/dbraw/zinc/56/65/01/947566501.db2.gz CZUADZMIQQKKNX-RISCZKNCSA-N -1 1 382.428 1.702 20 0 GDADMM C[C@@H](C(=O)N1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C1)c1ccco1 ZINC001573613597 947566507 /nfs/dbraw/zinc/56/65/07/947566507.db2.gz CZUADZMIQQKKNX-RISCZKNCSA-N -1 1 382.428 1.702 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1)C(C)(F)F ZINC001573613981 947576165 /nfs/dbraw/zinc/57/61/65/947576165.db2.gz JZWNIPUJCVCNQZ-SDDRHHMPSA-N -1 1 392.414 1.518 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001573613981 947576172 /nfs/dbraw/zinc/57/61/72/947576172.db2.gz JZWNIPUJCVCNQZ-SDDRHHMPSA-N -1 1 392.414 1.518 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1)C(C)(F)F ZINC001573615724 947610166 /nfs/dbraw/zinc/61/01/66/947610166.db2.gz JXMXZZRXMBBRRQ-WDEREUQCSA-N -1 1 380.403 1.233 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1)C(C)(F)F ZINC001573615724 947610170 /nfs/dbraw/zinc/61/01/70/947610170.db2.gz JXMXZZRXMBBRRQ-WDEREUQCSA-N -1 1 380.403 1.233 20 0 GDADMM C[C@H](C(=O)N1CCC(C)(Nc2ccc(-c3nnn[n-]3)nn2)CC1)[C@H]1CCCO1 ZINC001573615726 947610891 /nfs/dbraw/zinc/61/08/91/947610891.db2.gz KBVHDBFXTJFINC-GXTWGEPZSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H](C(=O)N1CCC(C)(Nc2ccc(-c3nn[n-]n3)nn2)CC1)[C@H]1CCCO1 ZINC001573615726 947610898 /nfs/dbraw/zinc/61/08/98/947610898.db2.gz KBVHDBFXTJFINC-GXTWGEPZSA-N -1 1 386.460 1.265 20 0 GDADMM C=Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001573351361 947613473 /nfs/dbraw/zinc/61/34/73/947613473.db2.gz LYCOFCARESECGN-WBMJQRKESA-N -1 1 376.424 1.872 20 0 GDADMM C=Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573351361 947613480 /nfs/dbraw/zinc/61/34/80/947613480.db2.gz LYCOFCARESECGN-WBMJQRKESA-N -1 1 376.424 1.872 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1cccs1 ZINC001573615995 947614642 /nfs/dbraw/zinc/61/46/42/947614642.db2.gz GZXTVTKJLFQHSS-NEPJUHHUSA-N -1 1 384.469 1.782 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573615995 947614651 /nfs/dbraw/zinc/61/46/51/947614651.db2.gz GZXTVTKJLFQHSS-NEPJUHHUSA-N -1 1 384.469 1.782 20 0 GDADMM C[C@H](C(=O)N1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)(C)C1)c1ccco1 ZINC001573616155 947617807 /nfs/dbraw/zinc/61/78/07/947617807.db2.gz VOTHRYADVAUIGS-AAEUAGOBSA-N -1 1 382.428 1.124 20 0 GDADMM C[C@H](C(=O)N1CC[C@@](C)(CNc2cnc(-c3nnn[n-]3)cn2)C1)C(C)(F)F ZINC001573616673 947624837 /nfs/dbraw/zinc/62/48/37/947624837.db2.gz MWWAPDOQHHXWTD-BMIGLBTASA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H](C(=O)N1CC[C@@](C)(CNc2cnc(-c3nn[n-]n3)cn2)C1)C(C)(F)F ZINC001573616673 947624845 /nfs/dbraw/zinc/62/48/45/947624845.db2.gz MWWAPDOQHHXWTD-BMIGLBTASA-N -1 1 380.403 1.599 20 0 GDADMM C=Cc1ccc(C(=O)N2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@@H](C)C2)cc1 ZINC001573352171 947628905 /nfs/dbraw/zinc/62/89/05/947628905.db2.gz XFEJMZXKBUNGRN-LRDDRELGSA-N -1 1 376.424 1.872 20 0 GDADMM C=Cc1ccc(C(=O)N2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@@H](C)C2)cc1 ZINC001573352171 947628916 /nfs/dbraw/zinc/62/89/16/947628916.db2.gz XFEJMZXKBUNGRN-LRDDRELGSA-N -1 1 376.424 1.872 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001573358222 947659912 /nfs/dbraw/zinc/65/99/12/947659912.db2.gz CJVCNMSHKKPGEQ-CTYIDZIISA-N -1 1 376.424 1.920 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001573358222 947659924 /nfs/dbraw/zinc/65/99/24/947659924.db2.gz CJVCNMSHKKPGEQ-CTYIDZIISA-N -1 1 376.424 1.920 20 0 GDADMM C[C@@H](C(=O)N1CCC(N(C)c2ccnc(-c3nn[n-]n3)n2)CC1)c1ccco1 ZINC001573619892 947674110 /nfs/dbraw/zinc/67/41/10/947674110.db2.gz YQQAZNGJTFWDGE-GFCCVEGCSA-N -1 1 382.428 1.481 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C)cc1 ZINC001573359466 947687220 /nfs/dbraw/zinc/68/72/20/947687220.db2.gz VFHQECLRSVBYAK-IUODEOHRSA-N -1 1 376.424 1.554 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1)c1ccsc1 ZINC001573627427 947721695 /nfs/dbraw/zinc/72/16/95/947721695.db2.gz BFCMYGZYCHZCAN-YPMHNXCESA-N -1 1 384.469 1.925 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1)c1ccsc1 ZINC001573627427 947721701 /nfs/dbraw/zinc/72/17/01/947721701.db2.gz BFCMYGZYCHZCAN-YPMHNXCESA-N -1 1 384.469 1.925 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1)C(C)(C)C ZINC001573628012 947743446 /nfs/dbraw/zinc/74/34/46/947743446.db2.gz FBRBETJILGWGMR-ORAYPTAESA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)n1cccc1 ZINC001573628525 947756965 /nfs/dbraw/zinc/75/69/65/947756965.db2.gz MPEVUUNREBZEKZ-ZIAGYGMSSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)n1cccc1 ZINC001573628525 947756969 /nfs/dbraw/zinc/75/69/69/947756969.db2.gz MPEVUUNREBZEKZ-ZIAGYGMSSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cccnc1 ZINC001573628606 947759881 /nfs/dbraw/zinc/75/98/81/947759881.db2.gz IZWJLEVXVJQNDX-JSGCOSHPSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573628606 947759888 /nfs/dbraw/zinc/75/98/88/947759888.db2.gz IZWJLEVXVJQNDX-JSGCOSHPSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001573629480 947779908 /nfs/dbraw/zinc/77/99/08/947779908.db2.gz ULNRAMMGHCPRSS-NXEZZACHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001573629480 947779913 /nfs/dbraw/zinc/77/99/13/947779913.db2.gz ULNRAMMGHCPRSS-NXEZZACHSA-N -1 1 384.366 1.648 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@H]([C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573372668 947781653 /nfs/dbraw/zinc/78/16/53/947781653.db2.gz BPGYRIUUALKJES-KBPBESRZSA-N -1 1 386.460 1.455 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@H]([C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573372668 947781661 /nfs/dbraw/zinc/78/16/61/947781661.db2.gz BPGYRIUUALKJES-KBPBESRZSA-N -1 1 386.460 1.455 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@H](CN(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573372840 947784434 /nfs/dbraw/zinc/78/44/34/947784434.db2.gz DOIUCIUAQBUOAD-CQSZACIVSA-N -1 1 386.460 1.091 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@H](CN(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573372840 947784440 /nfs/dbraw/zinc/78/44/40/947784440.db2.gz DOIUCIUAQBUOAD-CQSZACIVSA-N -1 1 386.460 1.091 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001573372835 947784551 /nfs/dbraw/zinc/78/45/51/947784551.db2.gz DNGIOPXZCUXTEB-GXTWGEPZSA-N -1 1 386.460 1.313 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001573372835 947784557 /nfs/dbraw/zinc/78/45/57/947784557.db2.gz DNGIOPXZCUXTEB-GXTWGEPZSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1)c1ccsc1 ZINC001573630550 947793215 /nfs/dbraw/zinc/79/32/15/947793215.db2.gz YOIVMBYLMLOCAU-AAEUAGOBSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1)c1ccsc1 ZINC001573630550 947793223 /nfs/dbraw/zinc/79/32/23/947793223.db2.gz YOIVMBYLMLOCAU-AAEUAGOBSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001573630514 947793372 /nfs/dbraw/zinc/79/33/72/947793372.db2.gz YJQUOLDXSJGASW-QWRGUYRKSA-N -1 1 380.403 1.375 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001573631343 947800638 /nfs/dbraw/zinc/80/06/38/947800638.db2.gz UQZQNWPVQIGYNB-STQMWFEESA-N -1 1 382.428 1.481 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001573631343 947800644 /nfs/dbraw/zinc/80/06/44/947800644.db2.gz UQZQNWPVQIGYNB-STQMWFEESA-N -1 1 382.428 1.481 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)C1CCC1 ZINC001573638140 947834234 /nfs/dbraw/zinc/83/42/34/947834234.db2.gz FWRUIRVRINXSOR-IVMMDQJWSA-N -1 1 382.472 1.520 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)C1CCC1 ZINC001573638140 947834242 /nfs/dbraw/zinc/83/42/42/947834242.db2.gz FWRUIRVRINXSOR-IVMMDQJWSA-N -1 1 382.472 1.520 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)C(C)(F)F ZINC001573638165 947836454 /nfs/dbraw/zinc/83/64/54/947836454.db2.gz HOBSVXPTEWKSFO-GRYCIOLGSA-N -1 1 392.414 1.375 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)C(C)(F)F ZINC001573638165 947836459 /nfs/dbraw/zinc/83/64/59/947836459.db2.gz HOBSVXPTEWKSFO-GRYCIOLGSA-N -1 1 392.414 1.375 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@H]2CN(c3snc(C)c3-c3nn[n-]n3)C[C@H]21 ZINC001573377653 947851232 /nfs/dbraw/zinc/85/12/32/947851232.db2.gz PPFBFCHZFBJTEA-QWHCGFSZSA-N -1 1 389.485 1.428 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C ZINC001573380513 947861424 /nfs/dbraw/zinc/86/14/24/947861424.db2.gz DONPXAADIORJAU-CQSZACIVSA-N -1 1 386.460 1.137 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C ZINC001573380513 947861431 /nfs/dbraw/zinc/86/14/31/947861431.db2.gz DONPXAADIORJAU-CQSZACIVSA-N -1 1 386.460 1.137 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)C1CCCC1 ZINC001573646221 947873019 /nfs/dbraw/zinc/87/30/19/947873019.db2.gz HQDBMVNKWFMBOU-IVMMDQJWSA-N -1 1 382.472 1.520 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)C1CCCC1 ZINC001573646221 947873025 /nfs/dbraw/zinc/87/30/25/947873025.db2.gz HQDBMVNKWFMBOU-IVMMDQJWSA-N -1 1 382.472 1.520 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](C)[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573647049 947881577 /nfs/dbraw/zinc/88/15/77/947881577.db2.gz BBHJWKDGMNWQOQ-IIAWOOMASA-N -1 1 398.515 1.801 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](CNc2nccnc2-c2nnn[n-]2)[C@H](C)C1)n1cccc1 ZINC001573647665 947901853 /nfs/dbraw/zinc/90/18/53/947901853.db2.gz RNCQIGBUKMNTNF-MGPQQGTHSA-N -1 1 381.444 1.226 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](CNc2nccnc2-c2nn[n-]n2)[C@H](C)C1)n1cccc1 ZINC001573647665 947901858 /nfs/dbraw/zinc/90/18/58/947901858.db2.gz RNCQIGBUKMNTNF-MGPQQGTHSA-N -1 1 381.444 1.226 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(CNc2cnc(-c3nnn[n-]3)cn2)C1)C1CC1 ZINC001573647690 947902750 /nfs/dbraw/zinc/90/27/50/947902750.db2.gz RVJMIAZEMUYPOA-UHYGZKCKSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(CNc2cnc(-c3nn[n-]n3)cn2)C1)C1CC1 ZINC001573647690 947902753 /nfs/dbraw/zinc/90/27/53/947902753.db2.gz RVJMIAZEMUYPOA-UHYGZKCKSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1)C(C)(C)C ZINC001573651524 947920854 /nfs/dbraw/zinc/92/08/54/947920854.db2.gz NEQLCIHNXCWSCY-MCIONIFRSA-N -1 1 384.488 1.624 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1)C(C)(C)C ZINC001573651524 947920862 /nfs/dbraw/zinc/92/08/62/947920862.db2.gz NEQLCIHNXCWSCY-MCIONIFRSA-N -1 1 384.488 1.624 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@]2(C)C1)C(C)(F)F ZINC001573651909 947925904 /nfs/dbraw/zinc/92/59/04/947925904.db2.gz QRXKVAPJHAFIMM-USBNGQNGSA-N -1 1 392.414 1.233 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@]2(C)C1)C(C)(F)F ZINC001573651909 947925912 /nfs/dbraw/zinc/92/59/12/947925912.db2.gz QRXKVAPJHAFIMM-USBNGQNGSA-N -1 1 392.414 1.233 20 0 GDADMM C[C@H](C(=O)N[C@](C)(CNc1nccnc1-c1nnn[n-]1)C1CC1)c1ccco1 ZINC001573652265 947934028 /nfs/dbraw/zinc/93/40/28/947934028.db2.gz BZJSWIWUBZBUAD-BBATYDOGSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](C(=O)N[C@](C)(CNc1nccnc1-c1nn[n-]n1)C1CC1)c1ccco1 ZINC001573652265 947934034 /nfs/dbraw/zinc/93/40/34/947934034.db2.gz BZJSWIWUBZBUAD-BBATYDOGSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)c1cccnc1 ZINC001573654267 947964126 /nfs/dbraw/zinc/96/41/26/947964126.db2.gz QITOUMJISVXIPP-FZMZJTMJSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)c1cccnc1 ZINC001573654267 947964130 /nfs/dbraw/zinc/96/41/30/947964130.db2.gz QITOUMJISVXIPP-FZMZJTMJSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)c1cccs1 ZINC001573655275 947976480 /nfs/dbraw/zinc/97/64/80/947976480.db2.gz WSQYMFPFRXYFHX-ZWNOBZJWSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)c1cccs1 ZINC001573655275 947976491 /nfs/dbraw/zinc/97/64/91/947976491.db2.gz WSQYMFPFRXYFHX-ZWNOBZJWSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)N[C@@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccsc1 ZINC001573655996 947984412 /nfs/dbraw/zinc/98/44/12/947984412.db2.gz BCWYXDBDPQOXRF-DIFFPNOSSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)N[C@@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccsc1 ZINC001573655996 947984420 /nfs/dbraw/zinc/98/44/20/947984420.db2.gz BCWYXDBDPQOXRF-DIFFPNOSSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NC1(CNc2ccc(-c3nnn[n-]3)nn2)CCCC1)n1cccc1 ZINC001573657362 948000901 /nfs/dbraw/zinc/00/09/01/948000901.db2.gz MOUHBIPMWVOJGH-CYBMUJFWSA-N -1 1 381.444 1.560 20 0 GDADMM C[C@H](C(=O)NC1(CNc2ccc(-c3nn[n-]n3)nn2)CCCC1)n1cccc1 ZINC001573657362 948000912 /nfs/dbraw/zinc/00/09/12/948000912.db2.gz MOUHBIPMWVOJGH-CYBMUJFWSA-N -1 1 381.444 1.560 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)c1-c1nnn[n-]1 ZINC000826344251 948004126 /nfs/dbraw/zinc/00/41/26/948004126.db2.gz BKZFYEUNCNGIPG-YPMHNXCESA-N -1 1 388.453 1.882 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)c1-c1nn[n-]n1 ZINC000826344251 948004133 /nfs/dbraw/zinc/00/41/33/948004133.db2.gz BKZFYEUNCNGIPG-YPMHNXCESA-N -1 1 388.453 1.882 20 0 GDADMM C[C@H](C(=O)NC1(CNc2ccnc(-c3nn[n-]n3)n2)CCCC1)C(C)(F)F ZINC001573658265 948009828 /nfs/dbraw/zinc/00/98/28/948009828.db2.gz ROZBLJXNSYBQBT-SNVBAGLBSA-N -1 1 380.403 1.211 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)c1-c1nnn[n-]1 ZINC000826344652 948011150 /nfs/dbraw/zinc/01/11/50/948011150.db2.gz NOANCUXEOBCMEE-ZDUSSCGKSA-N -1 1 398.398 1.966 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)c1-c1nn[n-]n1 ZINC000826344652 948011156 /nfs/dbraw/zinc/01/11/56/948011156.db2.gz NOANCUXEOBCMEE-ZDUSSCGKSA-N -1 1 398.398 1.966 20 0 GDADMM C[C@H](C(=O)N[C@]12CCC[C@@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2)C1CCC1 ZINC001573662055 948023719 /nfs/dbraw/zinc/02/37/19/948023719.db2.gz BBFVBHCBNIYWCF-ODYMNIRHSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H](C(=O)N[C@]12CCC[C@@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2)C1CCC1 ZINC001573662055 948023730 /nfs/dbraw/zinc/02/37/30/948023730.db2.gz BBFVBHCBNIYWCF-ODYMNIRHSA-N -1 1 382.472 1.711 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)c1-c1nnn[n-]1 ZINC000826345369 948024013 /nfs/dbraw/zinc/02/40/13/948024013.db2.gz KBBSUQZFOIVBLW-HNNXBMFYSA-N -1 1 395.423 1.186 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)c1-c1nn[n-]n1 ZINC000826345369 948024021 /nfs/dbraw/zinc/02/40/21/948024021.db2.gz KBBSUQZFOIVBLW-HNNXBMFYSA-N -1 1 395.423 1.186 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](C)c2cccc(N3CCCC3=O)c2)c1-c1nnn[n-]1 ZINC000826345851 948030880 /nfs/dbraw/zinc/03/08/80/948030880.db2.gz WBTAOPIMJRXWLR-NSHDSACASA-N -1 1 395.423 1.710 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](C)c2cccc(N3CCCC3=O)c2)c1-c1nn[n-]n1 ZINC000826345851 948030886 /nfs/dbraw/zinc/03/08/86/948030886.db2.gz WBTAOPIMJRXWLR-NSHDSACASA-N -1 1 395.423 1.710 20 0 GDADMM Cc1onc(CC(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2=O)c1-c1nnn[n-]1 ZINC000826346395 948040088 /nfs/dbraw/zinc/04/00/88/948040088.db2.gz LOVOUBIUHWVXAQ-HZMBPMFUSA-N -1 1 381.396 1.016 20 0 GDADMM Cc1onc(CC(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2=O)c1-c1nn[n-]n1 ZINC000826346395 948040094 /nfs/dbraw/zinc/04/00/94/948040094.db2.gz LOVOUBIUHWVXAQ-HZMBPMFUSA-N -1 1 381.396 1.016 20 0 GDADMM Cc1onc(CC(=O)N[C@H]2C[C@@H](C)N(c3ccccc3)C2=O)c1-c1nnn[n-]1 ZINC000826346398 948040110 /nfs/dbraw/zinc/04/01/10/948040110.db2.gz LOVOUBIUHWVXAQ-YGRLFVJLSA-N -1 1 381.396 1.016 20 0 GDADMM Cc1onc(CC(=O)N[C@H]2C[C@@H](C)N(c3ccccc3)C2=O)c1-c1nn[n-]n1 ZINC000826346398 948040117 /nfs/dbraw/zinc/04/01/17/948040117.db2.gz LOVOUBIUHWVXAQ-YGRLFVJLSA-N -1 1 381.396 1.016 20 0 GDADMM Cc1onc(CC(=O)NC[C@@H](O)c2cc3ccccc3s2)c1-c1nnn[n-]1 ZINC000826347496 948055076 /nfs/dbraw/zinc/05/50/76/948055076.db2.gz SZHQOYMULOGLQH-GFCCVEGCSA-N -1 1 384.421 1.770 20 0 GDADMM Cc1onc(CC(=O)NC[C@@H](O)c2cc3ccccc3s2)c1-c1nn[n-]n1 ZINC000826347496 948055089 /nfs/dbraw/zinc/05/50/89/948055089.db2.gz SZHQOYMULOGLQH-GFCCVEGCSA-N -1 1 384.421 1.770 20 0 GDADMM Cc1onc(CC(=O)NCc2cccc(Cn3cccn3)c2)c1-c1nnn[n-]1 ZINC000826348142 948068091 /nfs/dbraw/zinc/06/80/91/948068091.db2.gz WXSWJPWGKXONSM-UHFFFAOYSA-N -1 1 378.396 1.267 20 0 GDADMM Cc1onc(CC(=O)NCc2cccc(Cn3cccn3)c2)c1-c1nn[n-]n1 ZINC000826348142 948068100 /nfs/dbraw/zinc/06/81/00/948068100.db2.gz WXSWJPWGKXONSM-UHFFFAOYSA-N -1 1 378.396 1.267 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(=O)n(Cc3ccccc3)c2)c1-c1nnn[n-]1 ZINC000826348467 948075995 /nfs/dbraw/zinc/07/59/95/948075995.db2.gz NSJNIIRSRWJXNJ-UHFFFAOYSA-N -1 1 391.391 1.554 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(=O)n(Cc3ccccc3)c2)c1-c1nn[n-]n1 ZINC000826348467 948076005 /nfs/dbraw/zinc/07/60/05/948076005.db2.gz NSJNIIRSRWJXNJ-UHFFFAOYSA-N -1 1 391.391 1.554 20 0 GDADMM C[C@@H](C(=O)NC1CC2(C1)CC(Nc1cncc(-c3nnn[n-]3)n1)C2)C(C)(F)F ZINC001573665995 948079072 /nfs/dbraw/zinc/07/90/72/948079072.db2.gz OIUSTVOGYRJHPB-WTKRKHQCSA-N -1 1 392.414 1.787 20 0 GDADMM C[C@@H](C(=O)NC1CC2(C1)CC(Nc1cncc(-c3nn[n-]n3)n1)C2)C(C)(F)F ZINC001573665995 948079079 /nfs/dbraw/zinc/07/90/79/948079079.db2.gz OIUSTVOGYRJHPB-WTKRKHQCSA-N -1 1 392.414 1.787 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C1CCCC1 ZINC001573665969 948079314 /nfs/dbraw/zinc/07/93/14/948079314.db2.gz NUXJQPACQQNQMK-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C1CCCC1 ZINC001573665969 948079320 /nfs/dbraw/zinc/07/93/20/948079320.db2.gz NUXJQPACQQNQMK-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM CC(=O)N(Cc1ccccc1)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573414578 948095732 /nfs/dbraw/zinc/09/57/32/948095732.db2.gz KPOUDOLQDDHBAD-INIZCTEOSA-N -1 1 378.440 1.674 20 0 GDADMM CC(=O)N(Cc1ccccc1)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573414578 948095744 /nfs/dbraw/zinc/09/57/44/948095744.db2.gz KPOUDOLQDDHBAD-INIZCTEOSA-N -1 1 378.440 1.674 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC1(C)C)c1ccco1 ZINC001573676974 948130662 /nfs/dbraw/zinc/13/06/62/948130662.db2.gz BNDHZLMDTXBGDO-YPMHNXCESA-N -1 1 382.428 1.384 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CN(c2nccnc2-c2nn[n-]n2)CC1(C)C)c1ccco1 ZINC001573676974 948130669 /nfs/dbraw/zinc/13/06/69/948130669.db2.gz BNDHZLMDTXBGDO-YPMHNXCESA-N -1 1 382.428 1.384 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC1(C)C)C(C)(F)F ZINC001573677814 948142396 /nfs/dbraw/zinc/14/23/96/948142396.db2.gz FKGQKNDNBBPUSL-UWVGGRQHSA-N -1 1 380.403 1.279 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CN(c2nccnc2-c2nn[n-]n2)CC1(C)C)C(C)(F)F ZINC001573677814 948142400 /nfs/dbraw/zinc/14/24/00/948142400.db2.gz FKGQKNDNBBPUSL-UWVGGRQHSA-N -1 1 380.403 1.279 20 0 GDADMM C[C@@H](C(=O)NC[C@H](C)N(C)c1cncc(-c2nnn[n-]2)n1)c1cccc(F)c1 ZINC001573680009 948171950 /nfs/dbraw/zinc/17/19/50/948171950.db2.gz NZLYNIOLFQBHCF-NWDGAFQWSA-N -1 1 384.419 1.540 20 0 GDADMM C[C@@H](C(=O)NC[C@H](C)N(C)c1cncc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001573680009 948171957 /nfs/dbraw/zinc/17/19/57/948171957.db2.gz NZLYNIOLFQBHCF-NWDGAFQWSA-N -1 1 384.419 1.540 20 0 GDADMM CC(=O)N1CCC(CNc2nccnc2-c2nnn[n-]2)(c2ccccc2)CC1 ZINC001573434026 948207739 /nfs/dbraw/zinc/20/77/39/948207739.db2.gz OFGCJKJSUKVQKK-UHFFFAOYSA-N -1 1 378.440 1.649 20 0 GDADMM CC(=O)N1CCC(CNc2nccnc2-c2nn[n-]n2)(c2ccccc2)CC1 ZINC001573434026 948207746 /nfs/dbraw/zinc/20/77/46/948207746.db2.gz OFGCJKJSUKVQKK-UHFFFAOYSA-N -1 1 378.440 1.649 20 0 GDADMM C[C@@H](C(=O)NC[C@H](O)CNc1nc(-c2nn[n-]n2)c(Cl)s1)C(C)(C)C ZINC001573693290 948280652 /nfs/dbraw/zinc/28/06/52/948280652.db2.gz SFDXAFLPOPPHFY-YUMQZZPRSA-N -1 1 387.897 1.548 20 0 GDADMM O=C(Nc1ccc(CN2CCOCC2)c(Cl)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826453301 948322214 /nfs/dbraw/zinc/32/22/14/948322214.db2.gz GAPGPCYIQIMXRU-UHFFFAOYSA-N -1 1 399.842 2.000 20 0 GDADMM O=C(Nc1ccc(CN2CCOCC2)c(Cl)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826453301 948322226 /nfs/dbraw/zinc/32/22/26/948322226.db2.gz GAPGPCYIQIMXRU-UHFFFAOYSA-N -1 1 399.842 2.000 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1)C(F)(F)F ZINC001573701848 948339915 /nfs/dbraw/zinc/33/99/15/948339915.db2.gz BKZAVBREIOQWLY-UWVGGRQHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1)C(F)(F)F ZINC001573701848 948339928 /nfs/dbraw/zinc/33/99/28/948339928.db2.gz BKZAVBREIOQWLY-UWVGGRQHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1)c1ccsc1 ZINC001573701614 948340089 /nfs/dbraw/zinc/34/00/89/948340089.db2.gz BJDORFDKBPJANB-YPMHNXCESA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1)c1ccsc1 ZINC001573701614 948340095 /nfs/dbraw/zinc/34/00/95/948340095.db2.gz BJDORFDKBPJANB-YPMHNXCESA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NCC1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccsc1 ZINC001573704197 948368898 /nfs/dbraw/zinc/36/88/98/948368898.db2.gz QKPRBCXVCPLNMR-ZBOXLXRLSA-N -1 1 384.469 1.251 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1)C(C)(C)C ZINC001573707518 948435187 /nfs/dbraw/zinc/43/51/87/948435187.db2.gz OBYJNSMKLKPCDI-QWHCGFSZSA-N -1 1 392.529 1.927 20 0 GDADMM C[C@@H](C(=O)NCC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001573713825 948467071 /nfs/dbraw/zinc/46/70/71/948467071.db2.gz BWJFMLREUCZDSO-KBPBESRZSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](C(=O)NCC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001573713825 948467078 /nfs/dbraw/zinc/46/70/78/948467078.db2.gz BWJFMLREUCZDSO-KBPBESRZSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@H](C(=O)NCC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573714755 948476336 /nfs/dbraw/zinc/47/63/36/948476336.db2.gz JSQVMZXYSPAXFW-MNOVXSKESA-N -1 1 380.403 1.281 20 0 GDADMM C[C@H](C(=O)NCC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001573714882 948478605 /nfs/dbraw/zinc/47/86/05/948478605.db2.gz KLJFXWVELXYNFP-KGLIPLIRSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@H](C(=O)NCC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001573714882 948478616 /nfs/dbraw/zinc/47/86/16/948478616.db2.gz KLJFXWVELXYNFP-KGLIPLIRSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](C(=O)NCC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001573714986 948480878 /nfs/dbraw/zinc/48/08/78/948480878.db2.gz MLFFLKMOQCHCCS-OLZOCXBDSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@@H](C(=O)NCC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001573714986 948480886 /nfs/dbraw/zinc/48/08/86/948480886.db2.gz MLFFLKMOQCHCCS-OLZOCXBDSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@@H](C(=O)NCCCN(C)c1cncc(-c2nnn[n-]2)n1)c1cccc(F)c1 ZINC001573715585 948492765 /nfs/dbraw/zinc/49/27/65/948492765.db2.gz ZRKLKRLGPVXWCQ-GFCCVEGCSA-N -1 1 384.419 1.542 20 0 GDADMM C[C@@H](C(=O)NCCCN(C)c1cncc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001573715585 948492779 /nfs/dbraw/zinc/49/27/79/948492779.db2.gz ZRKLKRLGPVXWCQ-GFCCVEGCSA-N -1 1 384.419 1.542 20 0 GDADMM C[C@H](C(=O)NCC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C)C(C)(C)C ZINC001573718764 948519403 /nfs/dbraw/zinc/51/94/03/948519403.db2.gz RZKHWOBHCHKYQX-MGPQQGTHSA-N -1 1 386.504 1.918 20 0 GDADMM C[C@H](C(=O)NCC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C)C(C)(C)C ZINC001573718764 948519409 /nfs/dbraw/zinc/51/94/09/948519409.db2.gz RZKHWOBHCHKYQX-MGPQQGTHSA-N -1 1 386.504 1.918 20 0 GDADMM C[C@@H](CCNC(=O)[C@@H](C)c1ccccc1F)Nc1nccnc1-c1nnn[n-]1 ZINC001573720009 948530800 /nfs/dbraw/zinc/53/08/00/948530800.db2.gz ZTFRMHWLRCNVHL-RYUDHWBXSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@@H](CCNC(=O)[C@@H](C)c1ccccc1F)Nc1nccnc1-c1nn[n-]n1 ZINC001573720009 948530807 /nfs/dbraw/zinc/53/08/07/948530807.db2.gz ZTFRMHWLRCNVHL-RYUDHWBXSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1cncc(-c2nnn[n-]2)n1)c1ccc(Cl)s1 ZINC001573720160 948531372 /nfs/dbraw/zinc/53/13/72/948531372.db2.gz PLKVHNGZRUIGAB-VIFPVBQESA-N -1 1 392.876 1.728 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1cncc(-c2nn[n-]n2)n1)c1ccc(Cl)s1 ZINC001573720160 948531374 /nfs/dbraw/zinc/53/13/74/948531374.db2.gz PLKVHNGZRUIGAB-VIFPVBQESA-N -1 1 392.876 1.728 20 0 GDADMM C[C@H](C(=O)NCc1ccnc(-c2nnn[n-]2)c1)c1ccc(S(C)(=O)=O)cc1 ZINC001573730586 948582916 /nfs/dbraw/zinc/58/29/16/948582916.db2.gz RSICXIOLFQTWCG-NSHDSACASA-N -1 1 386.437 1.085 20 0 GDADMM C[C@H](C(=O)NCc1ccnc(-c2nn[n-]n2)c1)c1ccc(S(C)(=O)=O)cc1 ZINC001573730586 948582920 /nfs/dbraw/zinc/58/29/20/948582920.db2.gz RSICXIOLFQTWCG-NSHDSACASA-N -1 1 386.437 1.085 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H](C)c1c(F)cccc1F ZINC001573732824 948609447 /nfs/dbraw/zinc/60/94/47/948609447.db2.gz YVGIAMWVYWRECT-UWVGGRQHSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)c1c(F)cccc1F ZINC001573732824 948609451 /nfs/dbraw/zinc/60/94/51/948609451.db2.gz YVGIAMWVYWRECT-UWVGGRQHSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001573736465 948616477 /nfs/dbraw/zinc/61/64/77/948616477.db2.gz VZYICOYBDOJQLF-OPRDCNLKSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001573736465 948616479 /nfs/dbraw/zinc/61/64/79/948616479.db2.gz VZYICOYBDOJQLF-OPRDCNLKSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)C(C)(F)F ZINC001573740424 948634066 /nfs/dbraw/zinc/63/40/66/948634066.db2.gz OPJJNDNSXNVURM-XNDJQWLSSA-N -1 1 378.387 1.174 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001573740424 948634071 /nfs/dbraw/zinc/63/40/71/948634071.db2.gz OPJJNDNSXNVURM-XNDJQWLSSA-N -1 1 378.387 1.174 20 0 GDADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)c1cccnc1 ZINC001573740415 948634183 /nfs/dbraw/zinc/63/41/83/948634183.db2.gz OLWUTHMMNNYVIT-DCDXPUDHSA-N -1 1 391.439 1.081 20 0 GDADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001573740415 948634187 /nfs/dbraw/zinc/63/41/87/948634187.db2.gz OLWUTHMMNNYVIT-DCDXPUDHSA-N -1 1 391.439 1.081 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1F ZINC001573746495 948683055 /nfs/dbraw/zinc/68/30/55/948683055.db2.gz KJJXQDLAJBISBP-SDDRHHMPSA-N -1 1 382.403 1.659 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1F ZINC001573746495 948683060 /nfs/dbraw/zinc/68/30/60/948683060.db2.gz KJJXQDLAJBISBP-SDDRHHMPSA-N -1 1 382.403 1.659 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)C(C)(F)F ZINC001573752578 948713657 /nfs/dbraw/zinc/71/36/57/948713657.db2.gz OPJJNDNSXNVURM-SVDPJWKOSA-N -1 1 378.387 1.174 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001573752578 948713662 /nfs/dbraw/zinc/71/36/62/948713662.db2.gz OPJJNDNSXNVURM-SVDPJWKOSA-N -1 1 378.387 1.174 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573752597 948714320 /nfs/dbraw/zinc/71/43/20/948714320.db2.gz OWOKPIWYSDJIKT-IMSYWVGJSA-N -1 1 382.350 1.081 20 0 GDADMM CC(C)c1ccc(C(=O)N(C)[C@H](C)CNc2ccnc(-c3nn[n-]n3)n2)cn1 ZINC001574416475 948748898 /nfs/dbraw/zinc/74/88/98/948748898.db2.gz VBKUGFOGTLAVBG-GFCCVEGCSA-N -1 1 381.444 1.170 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@H](C)[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)nc1 ZINC001574416555 948751755 /nfs/dbraw/zinc/75/17/55/948751755.db2.gz XTRJNEDWNDSXTG-NWDGAFQWSA-N -1 1 381.444 1.794 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575222082 948751736 /nfs/dbraw/zinc/75/17/36/948751736.db2.gz DRFXHCMOWAMSLV-SNVBAGLBSA-N -1 1 378.387 1.495 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575222082 948751745 /nfs/dbraw/zinc/75/17/45/948751745.db2.gz DRFXHCMOWAMSLV-SNVBAGLBSA-N -1 1 378.387 1.495 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@H](C)[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)nc1 ZINC001574416555 948751764 /nfs/dbraw/zinc/75/17/64/948751764.db2.gz XTRJNEDWNDSXTG-NWDGAFQWSA-N -1 1 381.444 1.794 20 0 GDADMM CC(C)c1cccc(C(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001574416795 948763191 /nfs/dbraw/zinc/76/31/91/948763191.db2.gz ILIJNJJSBYQHLJ-LBPRGKRZSA-N -1 1 379.428 1.502 20 0 GDADMM CC(C)c1cccc(C(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001574416795 948763205 /nfs/dbraw/zinc/76/32/05/948763205.db2.gz ILIJNJJSBYQHLJ-LBPRGKRZSA-N -1 1 379.428 1.502 20 0 GDADMM CC(C)[C@@H](F)C(=O)NCc1ccc(CNc2nccnc2-c2nnn[n-]2)cc1 ZINC001574079685 948773394 /nfs/dbraw/zinc/77/33/94/948773394.db2.gz FBHFQQUHSWDRFB-CQSZACIVSA-N -1 1 384.419 1.879 20 0 GDADMM CC(C)[C@@H](F)C(=O)NCc1ccc(CNc2nccnc2-c2nn[n-]n2)cc1 ZINC001574079685 948773399 /nfs/dbraw/zinc/77/33/99/948773399.db2.gz FBHFQQUHSWDRFB-CQSZACIVSA-N -1 1 384.419 1.879 20 0 GDADMM CC(C)[C@@H](F)C(=O)N[C@H](C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574080023 948782367 /nfs/dbraw/zinc/78/23/67/948782367.db2.gz NJRSSYDCGLEQLQ-IAQYHMDHSA-N -1 1 376.440 1.372 20 0 GDADMM CC(C)[C@@H](F)C(=O)N[C@H](C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574080023 948782378 /nfs/dbraw/zinc/78/23/78/948782378.db2.gz NJRSSYDCGLEQLQ-IAQYHMDHSA-N -1 1 376.440 1.372 20 0 GDADMM C[C@@H](C(=O)N[C@]12CCC[C@H]1CN(c1nccnc1-c1nnn[n-]1)C2)C1CCC1 ZINC001573755783 948784258 /nfs/dbraw/zinc/78/42/58/948784258.db2.gz IBRJEMMENDCOAQ-UHYGZKCKSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](C(=O)N[C@]12CCC[C@H]1CN(c1nccnc1-c1nn[n-]n1)C2)C1CCC1 ZINC001573755783 948784270 /nfs/dbraw/zinc/78/42/70/948784270.db2.gz IBRJEMMENDCOAQ-UHYGZKCKSA-N -1 1 382.472 1.568 20 0 GDADMM CC(F)(F)CC(=O)N1C[C@@H]2CCC[C@@H](Nc3nccnc3-c3nnn[n-]3)[C@@H]2C1 ZINC001575225940 948811138 /nfs/dbraw/zinc/81/11/38/948811138.db2.gz GVBAHMRCKQYOSU-QJPTWQEYSA-N -1 1 392.414 1.741 20 0 GDADMM CC(F)(F)CC(=O)N1C[C@@H]2CCC[C@@H](Nc3nccnc3-c3nn[n-]n3)[C@@H]2C1 ZINC001575225940 948811155 /nfs/dbraw/zinc/81/11/55/948811155.db2.gz GVBAHMRCKQYOSU-QJPTWQEYSA-N -1 1 392.414 1.741 20 0 GDADMM CC(C)c1ccoc1C(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574421098 948813716 /nfs/dbraw/zinc/81/37/16/948813716.db2.gz GQWGGIVJGSQGQE-GFCCVEGCSA-N -1 1 382.428 1.724 20 0 GDADMM CC(C)c1ccoc1C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574421126 948815376 /nfs/dbraw/zinc/81/53/76/948815376.db2.gz HEMGLUAMBYZCIA-LBPRGKRZSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1ccoc1C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574421126 948815396 /nfs/dbraw/zinc/81/53/96/948815396.db2.gz HEMGLUAMBYZCIA-LBPRGKRZSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)[C@H](F)C(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574081187 948816976 /nfs/dbraw/zinc/81/69/76/948816976.db2.gz YFQDTWANNBOFTA-HUBLWGQQSA-N -1 1 376.440 1.738 20 0 GDADMM CC(C)[C@H](F)C(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574081187 948816995 /nfs/dbraw/zinc/81/69/95/948816995.db2.gz YFQDTWANNBOFTA-HUBLWGQQSA-N -1 1 376.440 1.738 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)C1Cc2ccccc2C1 ZINC001574681705 948817034 /nfs/dbraw/zinc/81/70/34/948817034.db2.gz MUTWTYQEFMFXEO-LBPRGKRZSA-N -1 1 378.440 1.378 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)C1Cc2ccccc2C1 ZINC001574681705 948817048 /nfs/dbraw/zinc/81/70/48/948817048.db2.gz MUTWTYQEFMFXEO-LBPRGKRZSA-N -1 1 378.440 1.378 20 0 GDADMM CC(C)[C@H](F)C(=O)N[C@@H](C)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574081112 948817910 /nfs/dbraw/zinc/81/79/10/948817910.db2.gz QBKQKXMTUFAGIQ-FZMZJTMJSA-N -1 1 376.440 1.372 20 0 GDADMM CC(F)(F)CC(=O)N1CCC2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001575227332 948824544 /nfs/dbraw/zinc/82/45/44/948824544.db2.gz TZZCNDGMJDOHTB-UHFFFAOYSA-N -1 1 392.414 1.521 20 0 GDADMM CC(F)(F)CC(=O)N1CCC2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575227332 948824560 /nfs/dbraw/zinc/82/45/60/948824560.db2.gz TZZCNDGMJDOHTB-UHFFFAOYSA-N -1 1 392.414 1.521 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1COc2ccccc21 ZINC001574682810 948832502 /nfs/dbraw/zinc/83/25/02/948832502.db2.gz RHUIZSPXUPFPMK-YPMHNXCESA-N -1 1 380.412 1.140 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1COc2ccccc21 ZINC001574682810 948832515 /nfs/dbraw/zinc/83/25/15/948832515.db2.gz RHUIZSPXUPFPMK-YPMHNXCESA-N -1 1 380.412 1.140 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)C1CCC1 ZINC001573761331 948839783 /nfs/dbraw/zinc/83/97/83/948839783.db2.gz HGCNMWIQRVJGGI-OKILXGFUSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H](CNC(=O)CCCc1ccccn1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574918215 948842595 /nfs/dbraw/zinc/84/25/95/948842595.db2.gz HJKYBGMRWUMRPM-ZDUSSCGKSA-N -1 1 381.444 1.016 20 0 GDADMM C[C@@H](CNC(=O)CCCc1ccccn1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574918215 948842614 /nfs/dbraw/zinc/84/26/14/948842614.db2.gz HJKYBGMRWUMRPM-ZDUSSCGKSA-N -1 1 381.444 1.016 20 0 GDADMM CC(C)c1ccsc1C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574424216 948845258 /nfs/dbraw/zinc/84/52/58/948845258.db2.gz IDSJIUPZYSCEQW-UHFFFAOYSA-N -1 1 384.469 1.804 20 0 GDADMM CC(C)c1ccsc1C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574424216 948845277 /nfs/dbraw/zinc/84/52/77/948845277.db2.gz IDSJIUPZYSCEQW-UHFFFAOYSA-N -1 1 384.469 1.804 20 0 GDADMM CC(F)(F)CC(=O)NC[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001575229532 948852236 /nfs/dbraw/zinc/85/22/36/948852236.db2.gz MBDOQSMDEVLJTM-ZETCQYMHSA-N -1 1 391.835 1.964 20 0 GDADMM CC(C)c1ccsc1C(=O)NC[C@H](CO)Nc1nccnc1-c1nnn[n-]1 ZINC001574424774 948863719 /nfs/dbraw/zinc/86/37/19/948863719.db2.gz UXVWAIHIQQRBKD-SNVBAGLBSA-N -1 1 388.457 1.044 20 0 GDADMM CC(C)c1ccsc1C(=O)NC[C@H](CO)Nc1nccnc1-c1nn[n-]n1 ZINC001574424774 948863734 /nfs/dbraw/zinc/86/37/34/948863734.db2.gz UXVWAIHIQQRBKD-SNVBAGLBSA-N -1 1 388.457 1.044 20 0 GDADMM CC(F)(F)CC(=O)NCCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575230023 948870303 /nfs/dbraw/zinc/87/03/03/948870303.db2.gz ZKEIRVUCDAGAOM-UHFFFAOYSA-N -1 1 380.403 1.425 20 0 GDADMM CC(F)(F)CC(=O)NCCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575230023 948870316 /nfs/dbraw/zinc/87/03/16/948870316.db2.gz ZKEIRVUCDAGAOM-UHFFFAOYSA-N -1 1 380.403 1.425 20 0 GDADMM CC(C)(C(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1)C(F)(F)F ZINC001573763479 948874285 /nfs/dbraw/zinc/87/42/85/948874285.db2.gz FWRXSQBELRJZLG-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)(C(=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1)C(F)(F)F ZINC001573763479 948874291 /nfs/dbraw/zinc/87/42/91/948874291.db2.gz FWRXSQBELRJZLG-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)Cc1ncc[nH]1 ZINC001574684863 948893763 /nfs/dbraw/zinc/89/37/63/948893763.db2.gz NZGKELOJHSDYGW-ZETCQYMHSA-N -1 1 381.853 1.249 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@]12CCC[C@@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001575234330 948898583 /nfs/dbraw/zinc/89/85/83/948898583.db2.gz BAQVGYLGHZIGLO-YVEFUNNKSA-N -1 1 392.414 1.710 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@]12CCC[C@@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001575234330 948898601 /nfs/dbraw/zinc/89/86/01/948898601.db2.gz BAQVGYLGHZIGLO-YVEFUNNKSA-N -1 1 392.414 1.710 20 0 GDADMM CC(F)(F)CCC(=O)N[C@](C)(CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001575234425 948902532 /nfs/dbraw/zinc/90/25/32/948902532.db2.gz CLMVVBPLDRZWBH-OAHLLOKOSA-N -1 1 380.403 1.211 20 0 GDADMM CC(F)(F)CCC(=O)N1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC001575234806 948905569 /nfs/dbraw/zinc/90/55/69/948905569.db2.gz FZCAKNFEJBCORB-SNVBAGLBSA-N -1 1 380.403 1.163 20 0 GDADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)c1cncn1C ZINC001574685425 948908724 /nfs/dbraw/zinc/90/87/24/948908724.db2.gz VWDFTRVFKNDYHT-ZETCQYMHSA-N -1 1 381.853 1.331 20 0 GDADMM CC(F)(F)CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001575234812 948910565 /nfs/dbraw/zinc/91/05/65/948910565.db2.gz GLJXICRNUHOHKW-TXEJJXNPSA-N -1 1 392.414 1.662 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC[C@H]2[C@@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001575235119 948912233 /nfs/dbraw/zinc/91/22/33/948912233.db2.gz IYLWMLHZBWMCEC-STQMWFEESA-N -1 1 392.414 1.662 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC[C@H]2[C@@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001575235119 948912243 /nfs/dbraw/zinc/91/22/43/948912243.db2.gz IYLWMLHZBWMCEC-STQMWFEESA-N -1 1 392.414 1.662 20 0 GDADMM CC(C)c1ncc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)s1 ZINC001574427860 948916369 /nfs/dbraw/zinc/91/63/69/948916369.db2.gz STQBUDNVSJVGGF-UHFFFAOYSA-N -1 1 385.457 1.199 20 0 GDADMM CC(C)c1ncc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)s1 ZINC001574427860 948916384 /nfs/dbraw/zinc/91/63/84/948916384.db2.gz STQBUDNVSJVGGF-UHFFFAOYSA-N -1 1 385.457 1.199 20 0 GDADMM CC(F)(F)CC(=O)NC[C@H](Nc1cncc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001575235529 948922276 /nfs/dbraw/zinc/92/22/76/948922276.db2.gz VZMBZDIKEFZYJD-LBPRGKRZSA-N -1 1 388.382 1.971 20 0 GDADMM CC(F)(F)CC(=O)NC[C@H](Nc1cncc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001575235529 948922288 /nfs/dbraw/zinc/92/22/88/948922288.db2.gz VZMBZDIKEFZYJD-LBPRGKRZSA-N -1 1 388.382 1.971 20 0 GDADMM CC(C)c1ncncc1C(=O)NCC[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574432267 948931595 /nfs/dbraw/zinc/93/15/95/948931595.db2.gz HRVYHEOSBVHHSZ-NSHDSACASA-N -1 1 382.432 1.191 20 0 GDADMM CC(C)c1ncncc1C(=O)NCC[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574432267 948931610 /nfs/dbraw/zinc/93/16/10/948931610.db2.gz HRVYHEOSBVHHSZ-NSHDSACASA-N -1 1 382.432 1.191 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001575236233 948939715 /nfs/dbraw/zinc/93/97/15/948939715.db2.gz YNGDXXAXULIBBT-NSHDSACASA-N -1 1 380.403 1.743 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001575236233 948939727 /nfs/dbraw/zinc/93/97/27/948939727.db2.gz YNGDXXAXULIBBT-NSHDSACASA-N -1 1 380.403 1.743 20 0 GDADMM CC(F)(F)CCC(=O)NC1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575236867 948940400 /nfs/dbraw/zinc/94/04/00/948940400.db2.gz ARGFFAIICMQNPV-UHFFFAOYSA-N -1 1 380.403 1.931 20 0 GDADMM CC(F)(F)CCC(=O)NC1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575236867 948940407 /nfs/dbraw/zinc/94/04/07/948940407.db2.gz ARGFFAIICMQNPV-UHFFFAOYSA-N -1 1 380.403 1.931 20 0 GDADMM CC(C)(C(=O)NC1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1)C(F)F ZINC001573771655 948945021 /nfs/dbraw/zinc/94/50/21/948945021.db2.gz KBKDMXPPYQNBMZ-UHFFFAOYSA-N -1 1 380.403 1.787 20 0 GDADMM CC(C)(C(=O)NC1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1)C(F)F ZINC001573771655 948945029 /nfs/dbraw/zinc/94/50/29/948945029.db2.gz KBKDMXPPYQNBMZ-UHFFFAOYSA-N -1 1 380.403 1.787 20 0 GDADMM CC(C)[C@@H]1C[C@H](C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CCO1 ZINC001574089186 948947803 /nfs/dbraw/zinc/94/78/03/948947803.db2.gz DJYMSAIQWANZRJ-CXTNEJHOSA-N -1 1 386.460 1.167 20 0 GDADMM CC(C)[C@@H]1C[C@H](C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CCO1 ZINC001574089186 948947819 /nfs/dbraw/zinc/94/78/19/948947819.db2.gz DJYMSAIQWANZRJ-CXTNEJHOSA-N -1 1 386.460 1.167 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573771841 948948003 /nfs/dbraw/zinc/94/80/03/948948003.db2.gz MHLNJJMJMVHYIA-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM CC(F)(F)CCC(=O)NCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575238339 948949799 /nfs/dbraw/zinc/94/97/99/948949799.db2.gz KQBAFXBRKQCGKM-UHFFFAOYSA-N -1 1 380.403 1.425 20 0 GDADMM CC(F)(F)CCC(=O)NCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575238339 948949808 /nfs/dbraw/zinc/94/98/08/948949808.db2.gz KQBAFXBRKQCGKM-UHFFFAOYSA-N -1 1 380.403 1.425 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)NCC[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574433892 948967557 /nfs/dbraw/zinc/96/75/57/948967557.db2.gz UYCILXKUILEMAK-NSHDSACASA-N -1 1 384.448 1.134 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)NCC[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574433892 948967568 /nfs/dbraw/zinc/96/75/68/948967568.db2.gz UYCILXKUILEMAK-NSHDSACASA-N -1 1 384.448 1.134 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575239938 948968810 /nfs/dbraw/zinc/96/88/10/948968810.db2.gz YFVSDKVJRXKBNJ-NSHDSACASA-N -1 1 380.403 1.567 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575239938 948968821 /nfs/dbraw/zinc/96/88/21/948968821.db2.gz YFVSDKVJRXKBNJ-NSHDSACASA-N -1 1 380.403 1.567 20 0 GDADMM CC(C)[C@@]1(C)C[C@H]1C(=O)NC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574090247 948979802 /nfs/dbraw/zinc/97/98/02/948979802.db2.gz MJBRXHCCLHTXSD-ORAYPTAESA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)[C@@]1(C)C[C@H]1C(=O)NC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574090247 948979812 /nfs/dbraw/zinc/97/98/12/948979812.db2.gz MJBRXHCCLHTXSD-ORAYPTAESA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)N[C@@H](C)CCNc1nccnc1-c1nnn[n-]1)c1cccc(F)c1 ZINC001574689360 948984236 /nfs/dbraw/zinc/98/42/36/948984236.db2.gz GNSUMTHUFWFAAI-NWDGAFQWSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@@H](C(=O)N[C@@H](C)CCNc1nccnc1-c1nn[n-]n1)c1cccc(F)c1 ZINC001574689360 948984246 /nfs/dbraw/zinc/98/42/46/948984246.db2.gz GNSUMTHUFWFAAI-NWDGAFQWSA-N -1 1 384.419 1.906 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)NC1(CNc2ccnc(-c3nn[n-]n3)n2)CCCCC1 ZINC001574090861 948997242 /nfs/dbraw/zinc/99/72/42/948997242.db2.gz JQPGPILABHMDQB-ZIAGYGMSSA-N -1 1 384.488 1.602 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCOCC1 ZINC001574091437 949015787 /nfs/dbraw/zinc/01/57/87/949015787.db2.gz NBSVABFTNBRMSZ-QWHCGFSZSA-N -1 1 386.460 1.026 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCOCC1 ZINC001574091437 949015802 /nfs/dbraw/zinc/01/58/02/949015802.db2.gz NBSVABFTNBRMSZ-QWHCGFSZSA-N -1 1 386.460 1.026 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)C(C)(C)C1CCOCC1 ZINC001574691281 949017557 /nfs/dbraw/zinc/01/75/57/949017557.db2.gz WBLVEQLUCGCXDB-GFCCVEGCSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)C(C)(C)C1CCOCC1 ZINC001574691281 949017576 /nfs/dbraw/zinc/01/75/76/949017576.db2.gz WBLVEQLUCGCXDB-GFCCVEGCSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)C1(c2ccccn2)CC1 ZINC001574691839 949032654 /nfs/dbraw/zinc/03/26/54/949032654.db2.gz YVSICQDUKDNQGO-LBPRGKRZSA-N -1 1 379.428 1.090 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)C1(c2ccccn2)CC1 ZINC001574691839 949032664 /nfs/dbraw/zinc/03/26/64/949032664.db2.gz YVSICQDUKDNQGO-LBPRGKRZSA-N -1 1 379.428 1.090 20 0 GDADMM C[C@H](Oc1ccccn1)C(=O)Nc1ccccc1-n1cnc(-c2nn[n-]n2)n1 ZINC001575503038 949040232 /nfs/dbraw/zinc/04/02/32/949040232.db2.gz NGAHTFLBMSEUTC-NSHDSACASA-N -1 1 377.368 1.248 20 0 GDADMM CC(C)(C(=O)NCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C1CCC1 ZINC001573779032 949056200 /nfs/dbraw/zinc/05/62/00/949056200.db2.gz DAARRQLFCWNPRY-UHFFFAOYSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C(=O)NCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C1CCC1 ZINC001573779032 949056221 /nfs/dbraw/zinc/05/62/21/949056221.db2.gz DAARRQLFCWNPRY-UHFFFAOYSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](CN(C)C(=O)C(C)(C)c1cccnc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574693430 949056759 /nfs/dbraw/zinc/05/67/59/949056759.db2.gz HMYBFIKLAWHELU-LBPRGKRZSA-N -1 1 381.444 1.288 20 0 GDADMM C[C@@H](CN(C)C(=O)C(C)(C)c1cccnc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574693430 949056780 /nfs/dbraw/zinc/05/67/80/949056780.db2.gz HMYBFIKLAWHELU-LBPRGKRZSA-N -1 1 381.444 1.288 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573779871 949070135 /nfs/dbraw/zinc/07/01/35/949070135.db2.gz OKHQHVZFAOBSPK-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC001573779890 949075926 /nfs/dbraw/zinc/07/59/26/949075926.db2.gz OUIRCPOWUMDNPW-OAHLLOKOSA-N -1 1 392.467 1.720 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC001573779890 949075952 /nfs/dbraw/zinc/07/59/52/949075952.db2.gz OUIRCPOWUMDNPW-OAHLLOKOSA-N -1 1 392.467 1.720 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)C1CCC1 ZINC001573780262 949083673 /nfs/dbraw/zinc/08/36/73/949083673.db2.gz UTPMELQOCIEQIF-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)C1CCC1 ZINC001573780262 949083689 /nfs/dbraw/zinc/08/36/89/949083689.db2.gz UTPMELQOCIEQIF-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)c1nocc1C(=O)N1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574441982 949085510 /nfs/dbraw/zinc/08/55/10/949085510.db2.gz HUXGVWNKMWRKMG-NSHDSACASA-N -1 1 383.416 1.342 20 0 GDADMM CC(C)c1nocc1C(=O)N1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574441982 949085531 /nfs/dbraw/zinc/08/55/31/949085531.db2.gz HUXGVWNKMWRKMG-NSHDSACASA-N -1 1 383.416 1.342 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001574442369 949097500 /nfs/dbraw/zinc/09/75/00/949097500.db2.gz NAFLVTXAKPFKCO-LLVKDONJSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)[C@]1(C)C[C@@H]1C(=O)N1CCC(N(C)c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574093338 949103149 /nfs/dbraw/zinc/10/31/49/949103149.db2.gz WTYAFUFIWPMNJR-KUHUBIRLSA-N -1 1 384.488 1.766 20 0 GDADMM CC(C)[C@]1(C)C[C@@H]1C(=O)N1CCC(N(C)c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574093338 949103151 /nfs/dbraw/zinc/10/31/51/949103151.db2.gz WTYAFUFIWPMNJR-KUHUBIRLSA-N -1 1 384.488 1.766 20 0 GDADMM CC(C)(C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccccc1 ZINC001573781423 949104443 /nfs/dbraw/zinc/10/44/43/949104443.db2.gz GNHBSTWVJDJAEN-OTVXOJSOSA-N -1 1 392.467 1.941 20 0 GDADMM CC(C)(C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccccc1 ZINC001573781423 949104455 /nfs/dbraw/zinc/10/44/55/949104455.db2.gz GNHBSTWVJDJAEN-OTVXOJSOSA-N -1 1 392.467 1.941 20 0 GDADMM CC(C)(C(=O)NCC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C(F)F ZINC001573781635 949113199 /nfs/dbraw/zinc/11/31/99/949113199.db2.gz LOLAAJAOTFBFJG-JTQLQIEISA-N -1 1 380.403 1.281 20 0 GDADMM CC(C)(C(=O)NCC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C(F)F ZINC001573781635 949113205 /nfs/dbraw/zinc/11/32/05/949113205.db2.gz LOLAAJAOTFBFJG-JTQLQIEISA-N -1 1 380.403 1.281 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1csc(C2CC2)n1 ZINC001574695603 949116656 /nfs/dbraw/zinc/11/66/56/949116656.db2.gz IVBXZRXTELHJIC-SECBINFHSA-N -1 1 385.457 1.611 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1csc(C2CC2)n1 ZINC001574695603 949116665 /nfs/dbraw/zinc/11/66/65/949116665.db2.gz IVBXZRXTELHJIC-SECBINFHSA-N -1 1 385.457 1.611 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1nc(Cl)cs1 ZINC001574696472 949133009 /nfs/dbraw/zinc/13/30/09/949133009.db2.gz RINLKRXKDJAABF-SSDOTTSWSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1nc(Cl)cs1 ZINC001574696472 949133027 /nfs/dbraw/zinc/13/30/27/949133027.db2.gz RINLKRXKDJAABF-SSDOTTSWSA-N -1 1 379.837 1.387 20 0 GDADMM CC(C)c1occc1C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574446436 949135171 /nfs/dbraw/zinc/13/51/71/949135171.db2.gz PYLPEQMJRHGRNM-GFCCVEGCSA-N -1 1 382.428 1.512 20 0 GDADMM CC(C)c1occc1C(=O)NC[C@H](Nc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001574446611 949136748 /nfs/dbraw/zinc/13/67/48/949136748.db2.gz SWVUHOBMTYLBAC-ZDUSSCGKSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1occc1C(=O)NC[C@H](Nc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001574446611 949136767 /nfs/dbraw/zinc/13/67/67/949136767.db2.gz SWVUHOBMTYLBAC-ZDUSSCGKSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1ocnc1C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001574446931 949146740 /nfs/dbraw/zinc/14/67/40/949146740.db2.gz BLWZCGVMPUIQRZ-XYPYZODXSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1ocnc1C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001574446931 949146747 /nfs/dbraw/zinc/14/67/47/949146747.db2.gz BLWZCGVMPUIQRZ-XYPYZODXSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1ocnc1C(=O)NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574446986 949148784 /nfs/dbraw/zinc/14/87/84/949148784.db2.gz DZXQZUWMZARZHE-UHFFFAOYSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1ocnc1C(=O)NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574446986 949148789 /nfs/dbraw/zinc/14/87/89/949148789.db2.gz DZXQZUWMZARZHE-UHFFFAOYSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001573786841 949149871 /nfs/dbraw/zinc/14/98/71/949149871.db2.gz FPVHBNIERNIPNW-KYZUINATSA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001573786841 949149886 /nfs/dbraw/zinc/14/98/86/949149886.db2.gz FPVHBNIERNIPNW-KYZUINATSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](NC(=O)C1(c2ccccc2)CC1)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575251793 949149798 /nfs/dbraw/zinc/14/97/98/949149798.db2.gz CULYSIHDMYKDKO-CHWSQXEVSA-N -1 1 378.440 1.694 20 0 GDADMM C[C@@H](NC(=O)C1(c2ccccc2)CC1)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575251793 949149777 /nfs/dbraw/zinc/14/97/77/949149777.db2.gz CULYSIHDMYKDKO-CHWSQXEVSA-N -1 1 378.440 1.694 20 0 GDADMM C[C@@H](CNC(=O)COc1ccc(Cl)cc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574934208 949151498 /nfs/dbraw/zinc/15/14/98/949151498.db2.gz CLLNVTVKTXQYDE-JTQLQIEISA-N -1 1 388.819 1.306 20 0 GDADMM C[C@@H](CNC(=O)COc1ccc(Cl)cc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574934208 949151516 /nfs/dbraw/zinc/15/15/16/949151516.db2.gz CLLNVTVKTXQYDE-JTQLQIEISA-N -1 1 388.819 1.306 20 0 GDADMM C[C@@H](NC(=O)C12CCC(CC1)C2(C)C)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575252074 949155283 /nfs/dbraw/zinc/15/52/83/949155283.db2.gz DRGMQEYRIVBPEP-XSMSDNFPSA-N -1 1 384.488 1.600 20 0 GDADMM C[C@H](NC(=O)C(C)(C)c1ccccc1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575252279 949160040 /nfs/dbraw/zinc/16/00/40/949160040.db2.gz QDICSFBVFJRLNA-STQMWFEESA-N -1 1 380.456 1.940 20 0 GDADMM C[C@H](NC(=O)C(C)(C)c1ccccc1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575252279 949160053 /nfs/dbraw/zinc/16/00/53/949160053.db2.gz QDICSFBVFJRLNA-STQMWFEESA-N -1 1 380.456 1.940 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001574447508 949160488 /nfs/dbraw/zinc/16/04/88/949160488.db2.gz QNOMXSVHBMJWQB-NSHDSACASA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)[C@@H]1CCCCO1 ZINC001573787132 949167789 /nfs/dbraw/zinc/16/77/89/949167789.db2.gz MWAVLIXDVCJHJD-OBJOEFQTSA-N -1 1 386.460 1.311 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)[C@@H]1CCCCO1 ZINC001573787132 949167796 /nfs/dbraw/zinc/16/77/96/949167796.db2.gz MWAVLIXDVCJHJD-OBJOEFQTSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H](NC(=O)C1(C(F)F)CCCC1)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575253052 949179608 /nfs/dbraw/zinc/17/96/08/949179608.db2.gz SAHUVXOFWGURIF-NXEZZACHSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@@H](NC(=O)C1(C(F)F)CCCC1)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575253052 949179621 /nfs/dbraw/zinc/17/96/21/949179621.db2.gz SAHUVXOFWGURIF-NXEZZACHSA-N -1 1 380.403 1.787 20 0 GDADMM CC(C)c1oncc1C(=O)N1C[C@H](Nc2nccnc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001574449407 949198299 /nfs/dbraw/zinc/19/82/99/949198299.db2.gz RDIXKAAUEARJKP-JQWIXIFHSA-N -1 1 383.416 1.341 20 0 GDADMM CC(C)c1oncc1C(=O)N1C[C@H](Nc2nccnc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001574449407 949198317 /nfs/dbraw/zinc/19/83/17/949198317.db2.gz RDIXKAAUEARJKP-JQWIXIFHSA-N -1 1 383.416 1.341 20 0 GDADMM C[C@H](c1ccccc1F)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1=O ZINC001575515842 949200531 /nfs/dbraw/zinc/20/05/31/949200531.db2.gz LISJHQFFYYDYLO-RISCZKNCSA-N -1 1 382.403 1.960 20 0 GDADMM C[C@H](c1ccccc1F)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1=O ZINC001575515842 949200553 /nfs/dbraw/zinc/20/05/53/949200553.db2.gz LISJHQFFYYDYLO-RISCZKNCSA-N -1 1 382.403 1.960 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(Cl)s1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574936705 949213048 /nfs/dbraw/zinc/21/30/48/949213048.db2.gz KCGNBQGTRQHOHN-SECBINFHSA-N -1 1 392.876 1.555 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(Cl)s1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574936705 949213072 /nfs/dbraw/zinc/21/30/72/949213072.db2.gz KCGNBQGTRQHOHN-SECBINFHSA-N -1 1 392.876 1.555 20 0 GDADMM CC(C)c1oncc1C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCC1 ZINC001574451093 949213468 /nfs/dbraw/zinc/21/34/68/949213468.db2.gz BLLSFAGJYGYULW-UHFFFAOYSA-N -1 1 383.416 1.533 20 0 GDADMM CC(C)c1oncc1C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCC1 ZINC001574451093 949213488 /nfs/dbraw/zinc/21/34/88/949213488.db2.gz BLLSFAGJYGYULW-UHFFFAOYSA-N -1 1 383.416 1.533 20 0 GDADMM C[C@@H]1CCC[C@@H](OCC(=O)N(C)CCN(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001576151470 949219510 /nfs/dbraw/zinc/21/95/10/949219510.db2.gz FQONMHRLLINGOJ-ZIAGYGMSSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@@H]1CCC[C@@H](OCC(=O)N(C)CCN(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001576151470 949219529 /nfs/dbraw/zinc/21/95/29/949219529.db2.gz FQONMHRLLINGOJ-ZIAGYGMSSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@@H](c1ccccc1F)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1=O ZINC001575517336 949225672 /nfs/dbraw/zinc/22/56/72/949225672.db2.gz VDLXJHHQYXEYTQ-FZMZJTMJSA-N -1 1 382.403 1.382 20 0 GDADMM C[C@H](NC(=O)C1(C(F)F)CCCC1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575255148 949227138 /nfs/dbraw/zinc/22/71/38/949227138.db2.gz YJIAHEGJTAFRKL-UWVGGRQHSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@H](NC(=O)C1(C(F)F)CCCC1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575255148 949227159 /nfs/dbraw/zinc/22/71/59/949227159.db2.gz YJIAHEGJTAFRKL-UWVGGRQHSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@H](CNC(=O)Cc1c(F)cccc1F)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574937781 949230979 /nfs/dbraw/zinc/23/09/79/949230979.db2.gz QMCLRYAXHLGBPO-JTQLQIEISA-N -1 1 388.382 1.342 20 0 GDADMM C[C@H](CNC(=O)Cc1c(F)cccc1F)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574937781 949231007 /nfs/dbraw/zinc/23/10/07/949231007.db2.gz QMCLRYAXHLGBPO-JTQLQIEISA-N -1 1 388.382 1.342 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001574451381 949233652 /nfs/dbraw/zinc/23/36/52/949233652.db2.gz OOGLPXMNPSLCJU-NSHDSACASA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001574451381 949233672 /nfs/dbraw/zinc/23/36/72/949233672.db2.gz OOGLPXMNPSLCJU-NSHDSACASA-N -1 1 383.416 1.167 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(Cl)s1)Nc1nccnc1-c1nnn[n-]1 ZINC001574938068 949234736 /nfs/dbraw/zinc/23/47/36/949234736.db2.gz RHHFHKPGYUYVGQ-MRVPVSSYSA-N -1 1 378.849 1.531 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(Cl)s1)Nc1nccnc1-c1nn[n-]n1 ZINC001574938068 949234752 /nfs/dbraw/zinc/23/47/52/949234752.db2.gz RHHFHKPGYUYVGQ-MRVPVSSYSA-N -1 1 378.849 1.531 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574451552 949236838 /nfs/dbraw/zinc/23/68/38/949236838.db2.gz SAPHZMCRRYLOTM-XYPYZODXSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574451552 949236861 /nfs/dbraw/zinc/23/68/61/949236861.db2.gz SAPHZMCRRYLOTM-XYPYZODXSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1cncc(-c2nnn[n-]2)n1 ZINC001573792307 949242794 /nfs/dbraw/zinc/24/27/94/949242794.db2.gz NJJFROZXIWPKAP-JLNYLFASSA-N -1 1 382.472 1.376 20 0 GDADMM CC(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1cncc(-c2nn[n-]n2)n1 ZINC001573792307 949242816 /nfs/dbraw/zinc/24/28/16/949242816.db2.gz NJJFROZXIWPKAP-JLNYLFASSA-N -1 1 382.472 1.376 20 0 GDADMM CC1(c2ccccc2C(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001575855952 949242932 /nfs/dbraw/zinc/24/29/32/949242932.db2.gz BWWPWUTVQCZFME-CYBMUJFWSA-N -1 1 390.451 1.717 20 0 GDADMM CC1(c2ccccc2C(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001575855952 949242948 /nfs/dbraw/zinc/24/29/48/949242948.db2.gz BWWPWUTVQCZFME-CYBMUJFWSA-N -1 1 390.451 1.717 20 0 GDADMM C[C@@H](NC(=O)C1(c2cccnc2)CC1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575256435 949252378 /nfs/dbraw/zinc/25/23/78/949252378.db2.gz VIQGGGRQPUPENI-NWDGAFQWSA-N -1 1 379.428 1.089 20 0 GDADMM C[C@@H](NC(=O)C1(c2cccnc2)CC1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575256435 949252398 /nfs/dbraw/zinc/25/23/98/949252398.db2.gz VIQGGGRQPUPENI-NWDGAFQWSA-N -1 1 379.428 1.089 20 0 GDADMM CC(C)n1cc(C(=O)N(C)CCCN(C)c2ccnc(-c3nn[n-]n3)n2)cn1 ZINC001574451971 949253557 /nfs/dbraw/zinc/25/35/57/949253557.db2.gz CPQHIQLKFFQLIV-UHFFFAOYSA-N -1 1 384.448 1.033 20 0 GDADMM CC(C)(C)C(=O)N1CCC[C@@H]([C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001573792619 949254078 /nfs/dbraw/zinc/25/40/78/949254078.db2.gz RRKNRMPWZVDWJO-ZIAGYGMSSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)(C)C(=O)N1CCC[C@@H]([C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001573792619 949254097 /nfs/dbraw/zinc/25/40/97/949254097.db2.gz RRKNRMPWZVDWJO-ZIAGYGMSSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)(C)C(=O)N1CCC[C@@H]([C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001573792617 949256523 /nfs/dbraw/zinc/25/65/23/949256523.db2.gz RRKNRMPWZVDWJO-KGLIPLIRSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)(C)C(=O)N1CCC[C@@H]([C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001573792617 949256545 /nfs/dbraw/zinc/25/65/45/949256545.db2.gz RRKNRMPWZVDWJO-KGLIPLIRSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H](C)NC(=O)C1(c2ccccn2)CC1 ZINC001575256728 949257027 /nfs/dbraw/zinc/25/70/27/949257027.db2.gz WQPJBTTUMYGHMO-NEPJUHHUSA-N -1 1 379.428 1.089 20 0 GDADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)C1(c2ccccn2)CC1 ZINC001575256728 949257050 /nfs/dbraw/zinc/25/70/50/949257050.db2.gz WQPJBTTUMYGHMO-NEPJUHHUSA-N -1 1 379.428 1.089 20 0 GDADMM C[C@@H](NC(=O)C1(F)CCCC1)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575257097 949266733 /nfs/dbraw/zinc/26/67/33/949266733.db2.gz YCJIDYLTNWSUKB-OLZOCXBDSA-N -1 1 388.451 1.660 20 0 GDADMM C[C@@H](NC(=O)C1(F)CCCC1)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575257097 949266741 /nfs/dbraw/zinc/26/67/41/949266741.db2.gz YCJIDYLTNWSUKB-OLZOCXBDSA-N -1 1 388.451 1.660 20 0 GDADMM C[C@]1(c2cccc(NC(=O)c3ccsc3-c3nnn[n-]3)c2)NC(=O)NC1=O ZINC001575857535 949270279 /nfs/dbraw/zinc/27/02/79/949270279.db2.gz SLPFBFNUZFPBBM-MRXNPFEDSA-N -1 1 383.393 1.235 20 0 GDADMM C[C@]1(c2cccc(NC(=O)c3ccsc3-c3nn[n-]n3)c2)NC(=O)NC1=O ZINC001575857535 949270298 /nfs/dbraw/zinc/27/02/98/949270298.db2.gz SLPFBFNUZFPBBM-MRXNPFEDSA-N -1 1 383.393 1.235 20 0 GDADMM C[C@@H](NC(=O)C1CCC(F)(F)CC1)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575257591 949280379 /nfs/dbraw/zinc/28/03/79/949280379.db2.gz AXPSDTFJWVHNAW-NXEZZACHSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@@H](NC(=O)C1CCC(F)(F)CC1)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575257591 949280406 /nfs/dbraw/zinc/28/04/06/949280406.db2.gz AXPSDTFJWVHNAW-NXEZZACHSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@@H](NC(=O)C1CC2(C1)CCOCC2)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575258629 949307960 /nfs/dbraw/zinc/30/79/60/949307960.db2.gz IZWIFXVDZMMAFR-VXGBXAGGSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@@H](NC(=O)C1CC2(C1)CCOCC2)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575258629 949307980 /nfs/dbraw/zinc/30/79/80/949307980.db2.gz IZWIFXVDZMMAFR-VXGBXAGGSA-N -1 1 386.460 1.169 20 0 GDADMM CC(C)CC(=O)N1CCC2(CC1)CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001574109020 949312797 /nfs/dbraw/zinc/31/27/97/949312797.db2.gz UMSYQIXMERDKGE-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)CC(=O)N1CCC2(CC1)CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001574109020 949312816 /nfs/dbraw/zinc/31/28/16/949312816.db2.gz UMSYQIXMERDKGE-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccoc1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574941720 949318686 /nfs/dbraw/zinc/31/86/86/949318686.db2.gz GOWHMIMWSIQTKB-QMMMGPOBSA-N -1 1 381.849 1.977 20 0 GDADMM CC(C)CC(=O)N1CCCC[C@@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001574109468 949320777 /nfs/dbraw/zinc/32/07/77/949320777.db2.gz ZGEBKZDDERQSFZ-LJQANCHMSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)CC(=O)N1CCCC[C@@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001574109468 949320798 /nfs/dbraw/zinc/32/07/98/949320798.db2.gz ZGEBKZDDERQSFZ-LJQANCHMSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@H](CNC(=O)Cc1ccco1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574942121 949330894 /nfs/dbraw/zinc/33/08/94/949330894.db2.gz VULUHWAUZMIUDK-MRVPVSSYSA-N -1 1 381.849 1.977 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(Cl)c1F)Nc1nccnc1-c1nnn[n-]1 ZINC001574942137 949337794 /nfs/dbraw/zinc/33/77/94/949337794.db2.gz WGHDIKYMJDSGHV-SECBINFHSA-N -1 1 390.810 1.609 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(Cl)c1F)Nc1nccnc1-c1nn[n-]n1 ZINC001574942137 949337817 /nfs/dbraw/zinc/33/78/17/949337817.db2.gz WGHDIKYMJDSGHV-SECBINFHSA-N -1 1 390.810 1.609 20 0 GDADMM C[C@H](CNC(=O)Cc1ccon1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574942209 949344751 /nfs/dbraw/zinc/34/47/51/949344751.db2.gz LALUTGXWSDTAFT-SSDOTTSWSA-N -1 1 382.837 1.372 20 0 GDADMM C[C@H](CNC(=O)Cc1ccon1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574942209 949344771 /nfs/dbraw/zinc/34/47/71/949344771.db2.gz LALUTGXWSDTAFT-SSDOTTSWSA-N -1 1 382.837 1.372 20 0 GDADMM C[C@@H](NC(=O)C1=CCOCC1)[C@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001575260073 949346145 /nfs/dbraw/zinc/34/61/45/949346145.db2.gz UFFKKLSACQKCFR-SFYZADRCSA-N -1 1 383.865 1.628 20 0 GDADMM C[C@@H](NC(=O)C1=CCOCC1)[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575260073 949346165 /nfs/dbraw/zinc/34/61/65/949346165.db2.gz UFFKKLSACQKCFR-SFYZADRCSA-N -1 1 383.865 1.628 20 0 GDADMM CC(C)CC(=O)N1C[C@@H](c2ccccc2)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574110176 949355873 /nfs/dbraw/zinc/35/58/73/949355873.db2.gz UEKOWFFBWKQELY-JKSUJKDBSA-N -1 1 392.467 1.531 20 0 GDADMM C[C@@H]1CCC[C@]1(C)C(=O)N(C)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576154909 949368324 /nfs/dbraw/zinc/36/83/24/949368324.db2.gz SFHVPAGIYWBKFJ-YJYMSZOUSA-N -1 1 384.488 1.910 20 0 GDADMM CC1(C)CN(C(=O)[C@]2(C)CCCOC2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575527917 949381274 /nfs/dbraw/zinc/38/12/74/949381274.db2.gz JQEZKQCMAAFCAG-FZKQIMNGSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CN(C(=O)[C@]2(C)CCCOC2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575527917 949381295 /nfs/dbraw/zinc/38/12/95/949381295.db2.gz JQEZKQCMAAFCAG-FZKQIMNGSA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)n1cccc1C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCC1 ZINC001574463786 949384984 /nfs/dbraw/zinc/38/49/84/949384984.db2.gz AGXLCUXBSSFOAS-UHFFFAOYSA-N -1 1 381.444 1.226 20 0 GDADMM CC(C)n1cnc(C(=O)N2CC[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001574463988 949393905 /nfs/dbraw/zinc/39/39/05/949393905.db2.gz DPGMPXKAMJYGCI-LBPRGKRZSA-N -1 1 382.432 1.008 20 0 GDADMM CC(C)n1cnc(C(=O)N2CC[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001574463988 949393927 /nfs/dbraw/zinc/39/39/27/949393927.db2.gz DPGMPXKAMJYGCI-LBPRGKRZSA-N -1 1 382.432 1.008 20 0 GDADMM C[C@@H](NC(=O)CC(C)(F)F)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575263413 949400446 /nfs/dbraw/zinc/40/04/46/949400446.db2.gz GXFSALPHDBGTFQ-MNOVXSKESA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](NC(=O)CC(C)(F)F)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575263413 949400457 /nfs/dbraw/zinc/40/04/57/949400457.db2.gz GXFSALPHDBGTFQ-MNOVXSKESA-N -1 1 380.403 1.423 20 0 GDADMM CC(C)n1cnc(C(=O)N(C)CCCN(C)c2cnc(-c3nnn[n-]3)cn2)c1 ZINC001574464337 949406832 /nfs/dbraw/zinc/40/68/32/949406832.db2.gz LMEUMFXEYWOGFB-UHFFFAOYSA-N -1 1 384.448 1.033 20 0 GDADMM CC(C)n1cnc(C(=O)N(C)CCCN(C)c2cnc(-c3nn[n-]n3)cn2)c1 ZINC001574464337 949406852 /nfs/dbraw/zinc/40/68/52/949406852.db2.gz LMEUMFXEYWOGFB-UHFFFAOYSA-N -1 1 384.448 1.033 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2(C(C)(F)F)CC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575866382 949407197 /nfs/dbraw/zinc/40/71/97/949407197.db2.gz FQJDVIKWKWTZRE-GHMZBOCLSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2(C(C)(F)F)CC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575866383 949408385 /nfs/dbraw/zinc/40/83/85/949408385.db2.gz FQJDVIKWKWTZRE-MNOVXSKESA-N -1 1 392.414 1.566 20 0 GDADMM CC1(C(=O)N2CC[C@@H](CCNc3cncc(-c4nnn[n-]4)n3)C2)CCOCC1 ZINC001575534550 949429386 /nfs/dbraw/zinc/42/93/86/949429386.db2.gz NPIFGCDKUUZXKG-CYBMUJFWSA-N -1 1 386.460 1.124 20 0 GDADMM CC1(C(=O)N2CC[C@@H](CCNc3cncc(-c4nn[n-]n4)n3)C2)CCOCC1 ZINC001575534550 949429400 /nfs/dbraw/zinc/42/94/00/949429400.db2.gz NPIFGCDKUUZXKG-CYBMUJFWSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2(C)CC(F)(F)C2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575867269 949432806 /nfs/dbraw/zinc/43/28/06/949432806.db2.gz IVKJMXKTBZUASX-GHMZBOCLSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2(C)CC(F)(F)C2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575867269 949432814 /nfs/dbraw/zinc/43/28/14/949432814.db2.gz IVKJMXKTBZUASX-GHMZBOCLSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1CCCCC1(F)F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574705598 949435712 /nfs/dbraw/zinc/43/57/12/949435712.db2.gz JCKYRDSVIHPIIT-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1CCCCC1(F)F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574705598 949435721 /nfs/dbraw/zinc/43/57/21/949435721.db2.gz JCKYRDSVIHPIIT-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2(C(F)F)CC2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575867310 949435623 /nfs/dbraw/zinc/43/56/23/949435623.db2.gz JEMHILSUZCJSJM-NXEZZACHSA-N -1 1 378.387 1.176 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2(C(F)F)CC2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575867310 949435638 /nfs/dbraw/zinc/43/56/38/949435638.db2.gz JEMHILSUZCJSJM-NXEZZACHSA-N -1 1 378.387 1.176 20 0 GDADMM CC(C)n1cnc(C(=O)NC2CC(CNc3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001574465493 949437732 /nfs/dbraw/zinc/43/77/32/949437732.db2.gz ZGCZVSCRMSZPAD-UHFFFAOYSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cnc(C(=O)NC2CC(CNc3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001574465493 949437755 /nfs/dbraw/zinc/43/77/55/949437755.db2.gz ZGCZVSCRMSZPAD-UHFFFAOYSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)(C)C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCC1(F)F ZINC001573803521 949444906 /nfs/dbraw/zinc/44/49/06/949444906.db2.gz RAHLPDTYRCIDPM-SNVBAGLBSA-N -1 1 380.403 1.281 20 0 GDADMM CC(C)(C)C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCC1(F)F ZINC001573803521 949444917 /nfs/dbraw/zinc/44/49/17/949444917.db2.gz RAHLPDTYRCIDPM-SNVBAGLBSA-N -1 1 380.403 1.281 20 0 GDADMM CC(C)(C)C(=O)NC[C@@H]1COCCN1c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573803601 949447127 /nfs/dbraw/zinc/44/71/27/949447127.db2.gz SMRQIPJRRNHUPV-MRVPVSSYSA-N -1 1 385.881 1.344 20 0 GDADMM CC(C)(C)C(=O)NC[C@@H]1COCCN1c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573803601 949447133 /nfs/dbraw/zinc/44/71/33/949447133.db2.gz SMRQIPJRRNHUPV-MRVPVSSYSA-N -1 1 385.881 1.344 20 0 GDADMM CC(C)(C)C(=O)NC[C@H]1Cc2ccccc2CN1c1ccc(-c2nnn[n-]2)nn1 ZINC001573803658 949447648 /nfs/dbraw/zinc/44/76/48/949447648.db2.gz UDXYYNVDFHVWQZ-OAHLLOKOSA-N -1 1 392.467 1.750 20 0 GDADMM CC(C)(C)C(=O)NC[C@H]1Cc2ccccc2CN1c1ccc(-c2nn[n-]n2)nn1 ZINC001573803658 949447654 /nfs/dbraw/zinc/44/76/54/949447654.db2.gz UDXYYNVDFHVWQZ-OAHLLOKOSA-N -1 1 392.467 1.750 20 0 GDADMM C[C@@H]1CCC[C@H](C(=O)N2CCC(N(C)c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001576156930 949462172 /nfs/dbraw/zinc/46/21/72/949462172.db2.gz YDAVYROSKSVDQH-KGLIPLIRSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCC[C@H](C(=O)N2CCC(N(C)c3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC001576156930 949462188 /nfs/dbraw/zinc/46/21/88/949462188.db2.gz YDAVYROSKSVDQH-KGLIPLIRSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CC(=O)N[C@H]1COC2(CN(Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001574117289 949463233 /nfs/dbraw/zinc/46/32/33/949463233.db2.gz PZHYUQYHBSYPGM-GFCCVEGCSA-N -1 1 376.486 1.434 20 0 GDADMM C[C@@H]1CCC[C@@H](OCC(=O)N(C)CCN(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576156880 949465648 /nfs/dbraw/zinc/46/56/48/949465648.db2.gz XIDQSALDWYIBKS-ZIAGYGMSSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@@H]1CCC[C@@H](OCC(=O)N(C)CCN(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576156880 949465664 /nfs/dbraw/zinc/46/56/64/949465664.db2.gz XIDQSALDWYIBKS-ZIAGYGMSSA-N -1 1 388.476 1.147 20 0 GDADMM CC(C)n1nccc1C(=O)NC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001574469296 949477384 /nfs/dbraw/zinc/47/73/84/949477384.db2.gz AEXJRXFUBTXNRA-LBPRGKRZSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1nccc1C(=O)NC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001574469296 949477402 /nfs/dbraw/zinc/47/74/02/949477402.db2.gz AEXJRXFUBTXNRA-LBPRGKRZSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@H](CNC(=O)Cn1cccn1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574949374 949491150 /nfs/dbraw/zinc/49/11/50/949491150.db2.gz VGUAVRXLFDETJE-MRVPVSSYSA-N -1 1 381.853 1.038 20 0 GDADMM C[C@@H]1[C@@H](CO)CCN1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC001575870643 949493741 /nfs/dbraw/zinc/49/37/41/949493741.db2.gz VWPBXYIJAJGDNY-GHMZBOCLSA-N -1 1 386.391 1.426 20 0 GDADMM C[C@@H](CN(C)C(=O)C1CC2(C1)CCOCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574708893 949501428 /nfs/dbraw/zinc/50/14/28/949501428.db2.gz YAPRAMFWMHCMTA-LBPRGKRZSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](CN(C)C(=O)C1CC2(C1)CCOCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574708893 949501448 /nfs/dbraw/zinc/50/14/48/949501448.db2.gz YAPRAMFWMHCMTA-LBPRGKRZSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C(C2CC2)C2CC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575871120 949509562 /nfs/dbraw/zinc/50/95/62/949509562.db2.gz ZDJDGUJWNBIIHA-FZMZJTMJSA-N -1 1 382.472 1.566 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C(C2CC2)C2CC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575871120 949509588 /nfs/dbraw/zinc/50/95/88/949509588.db2.gz ZDJDGUJWNBIIHA-FZMZJTMJSA-N -1 1 382.472 1.566 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccc[nH]1 ZINC001576159030 949511088 /nfs/dbraw/zinc/51/10/88/949511088.db2.gz VXJAJMJKMPUQNR-XIKOKIGWSA-N -1 1 381.444 1.776 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccc[nH]1 ZINC001576159030 949511110 /nfs/dbraw/zinc/51/11/10/949511110.db2.gz VXJAJMJKMPUQNR-XIKOKIGWSA-N -1 1 381.444 1.776 20 0 GDADMM C[C@@H]1CCC[C@H]1CC(=O)NCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576159480 949521214 /nfs/dbraw/zinc/52/12/14/949521214.db2.gz XLRDPLJGGRXDBF-HIFRSBDPSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H]1CCC[C@H]1CC(=O)NCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576159480 949521230 /nfs/dbraw/zinc/52/12/30/949521230.db2.gz XLRDPLJGGRXDBF-HIFRSBDPSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@]1(C(=O)N2CCC[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)CCCOC1 ZINC001575538407 949524720 /nfs/dbraw/zinc/52/47/20/949524720.db2.gz GWVDDVFWMPMXDT-FZKQIMNGSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@@]1(C(=O)N2CCC[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)CCCOC1 ZINC001575538407 949524738 /nfs/dbraw/zinc/52/47/38/949524738.db2.gz GWVDDVFWMPMXDT-FZKQIMNGSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2=CCOCC2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576163363 949531608 /nfs/dbraw/zinc/53/16/08/949531608.db2.gz AOXKNVBEWHWHCI-IUODEOHRSA-N -1 1 384.444 1.042 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2=CCOCC2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576163363 949531621 /nfs/dbraw/zinc/53/16/21/949531621.db2.gz AOXKNVBEWHWHCI-IUODEOHRSA-N -1 1 384.444 1.042 20 0 GDADMM C[C@@H]1CCCC[C@H]1OCC(=O)N(C)CCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001576163953 949544300 /nfs/dbraw/zinc/54/43/00/949544300.db2.gz DKQYHXMEYHZSEO-ZIAGYGMSSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC(F)(F)F)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576164206 949550972 /nfs/dbraw/zinc/55/09/72/949550972.db2.gz FBEAZFRGTNDNQT-ZJUUUORDSA-N -1 1 384.366 1.070 20 0 GDADMM CC(C)CC(=O)NCc1ccc(CCNc2nccnc2-c2nnn[n-]2)cc1 ZINC001574123417 949562290 /nfs/dbraw/zinc/56/22/90/949562290.db2.gz YALXZSADXGSDCE-UHFFFAOYSA-N -1 1 380.456 1.974 20 0 GDADMM CC(C)CC(=O)NCc1ccc(CCNc2nccnc2-c2nn[n-]n2)cc1 ZINC001574123417 949562308 /nfs/dbraw/zinc/56/23/08/949562308.db2.gz YALXZSADXGSDCE-UHFFFAOYSA-N -1 1 380.456 1.974 20 0 GDADMM C[C@@]1(C(=O)N2CCC[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)CCCOC1 ZINC001575539886 949564661 /nfs/dbraw/zinc/56/46/61/949564661.db2.gz USFQMDJPGXBCBN-SCLBCKFNSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@@]1(C(=O)N2CCC[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)CCCOC1 ZINC001575539886 949564673 /nfs/dbraw/zinc/56/46/73/949564673.db2.gz USFQMDJPGXBCBN-SCLBCKFNSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2CC(F)(F)C2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575873172 949572630 /nfs/dbraw/zinc/57/26/30/949572630.db2.gz ODCDXZPDGWFDLW-GXSJLCMTSA-N -1 1 378.387 1.176 20 0 GDADMM C[C@H]1CCCN(C(=O)C2CCCCC2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576165964 949574113 /nfs/dbraw/zinc/57/41/13/949574113.db2.gz KREGWEYOKOZWQO-DZGCQCFKSA-N -1 1 384.488 1.698 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1 ZINC001574475830 949577089 /nfs/dbraw/zinc/57/70/89/949577089.db2.gz CDKYACWLPDWZEU-GOEBONIOSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1 ZINC001574475830 949577110 /nfs/dbraw/zinc/57/71/10/949577110.db2.gz CDKYACWLPDWZEU-GOEBONIOSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CC2CC(F)(F)C2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575873510 949580647 /nfs/dbraw/zinc/58/06/47/949580647.db2.gz POPPLIXXOZWJKU-ZYHUDNBSSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CC2CC(F)(F)C2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575873510 949580654 /nfs/dbraw/zinc/58/06/54/949580654.db2.gz POPPLIXXOZWJKU-ZYHUDNBSSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@@H](NC(=O)CCC1CCC1)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575270390 949585670 /nfs/dbraw/zinc/58/56/70/949585670.db2.gz CNBHUSYSIGNTJW-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](NC(=O)CCC1CCC1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575270390 949585697 /nfs/dbraw/zinc/58/56/97/949585697.db2.gz CNBHUSYSIGNTJW-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574956703 949589435 /nfs/dbraw/zinc/58/94/35/949589435.db2.gz MCTBDWOUVMEQEE-GMTAPVOTSA-N -1 1 398.393 1.364 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1CCc2cccnc21)Nc1nccnc1-c1nnn[n-]1 ZINC001574713116 949593910 /nfs/dbraw/zinc/59/39/10/949593910.db2.gz VYRXCEZIVJDYRZ-WCQYABFASA-N -1 1 379.428 1.041 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1CCc2cccnc21)Nc1nccnc1-c1nn[n-]n1 ZINC001574713116 949593928 /nfs/dbraw/zinc/59/39/28/949593928.db2.gz VYRXCEZIVJDYRZ-WCQYABFASA-N -1 1 379.428 1.041 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1CCc2ccccc2C1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574713150 949601661 /nfs/dbraw/zinc/60/16/61/949601661.db2.gz WBDHPGLWHKGILB-CJNGLKHVSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1CCc2ccccc2C1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574713150 949601680 /nfs/dbraw/zinc/60/16/80/949601680.db2.gz WBDHPGLWHKGILB-CJNGLKHVSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@@H](NC(=O)CCCc1ccccc1)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575270730 949602513 /nfs/dbraw/zinc/60/25/13/949602513.db2.gz FSSPMMXDUPDLKN-ZIAGYGMSSA-N -1 1 380.456 1.985 20 0 GDADMM C[C@@H](NC(=O)CCCc1ccccc1)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575270730 949602525 /nfs/dbraw/zinc/60/25/25/949602525.db2.gz FSSPMMXDUPDLKN-ZIAGYGMSSA-N -1 1 380.456 1.985 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2C=CC=CC=C2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575874153 949606190 /nfs/dbraw/zinc/60/61/90/949606190.db2.gz RSRUEFYEIGZZQI-HIFRSBDPSA-N -1 1 378.440 1.429 20 0 GDADMM C[C@H](NC(=O)CCCC1CCOCC1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575271127 949614675 /nfs/dbraw/zinc/61/46/75/949614675.db2.gz INNMDDRETPVGIB-STQMWFEESA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H](NC(=O)CCCC1CCOCC1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575271127 949614687 /nfs/dbraw/zinc/61/46/87/949614687.db2.gz INNMDDRETPVGIB-STQMWFEESA-N -1 1 388.476 1.559 20 0 GDADMM C[C@@H]1CCCC[C@@H]1CC(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001576167746 949616564 /nfs/dbraw/zinc/61/65/64/949616564.db2.gz FHINLKKRAHHLOB-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCCC[C@@H]1CC(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001576167746 949616577 /nfs/dbraw/zinc/61/65/77/949616577.db2.gz FHINLKKRAHHLOB-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@]1(C(=O)N2CCCCC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CCOC1 ZINC001575546934 949617274 /nfs/dbraw/zinc/61/72/74/949617274.db2.gz SWNDPKDNJAPBBZ-UGSOOPFHSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@]1(C(=O)N2CCCCC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CCOC1 ZINC001575546934 949617291 /nfs/dbraw/zinc/61/72/91/949617291.db2.gz SWNDPKDNJAPBBZ-UGSOOPFHSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@H]1CCCC[C@H]1CC(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001576167736 949617617 /nfs/dbraw/zinc/61/76/17/949617617.db2.gz FHINLKKRAHHLOB-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCCC[C@H]1CC(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001576167736 949617630 /nfs/dbraw/zinc/61/76/30/949617630.db2.gz FHINLKKRAHHLOB-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CNC(=O)[C@H](C)Cc1ccccc1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574957618 949623641 /nfs/dbraw/zinc/62/36/41/949623641.db2.gz CSPWXUCTDFAFHD-ZIAGYGMSSA-N -1 1 380.456 1.700 20 0 GDADMM C[C@@H](CNC(=O)[C@H](C)Cc1ccccc1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574957618 949623655 /nfs/dbraw/zinc/62/36/55/949623655.db2.gz CSPWXUCTDFAFHD-ZIAGYGMSSA-N -1 1 380.456 1.700 20 0 GDADMM C[C@H]1[C@@H](NC(=O)Cc2ccccc2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575875544 949633779 /nfs/dbraw/zinc/63/37/79/949633779.db2.gz IKCFKCIDFXTEKE-ZFWWWQNUSA-N -1 1 378.440 1.373 20 0 GDADMM C[C@H]1[C@@H](NC(=O)Cc2ccccc2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575875544 949633794 /nfs/dbraw/zinc/63/37/94/949633794.db2.gz IKCFKCIDFXTEKE-ZFWWWQNUSA-N -1 1 378.440 1.373 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574957963 949641801 /nfs/dbraw/zinc/64/18/01/949641801.db2.gz KDYCZAZGGINOEG-IAMHBRQHSA-N -1 1 392.467 1.575 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574957963 949641814 /nfs/dbraw/zinc/64/18/14/949641814.db2.gz KDYCZAZGGINOEG-IAMHBRQHSA-N -1 1 392.467 1.575 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C1(F)CCCC1 ZINC001573815610 949656858 /nfs/dbraw/zinc/65/68/58/949656858.db2.gz JILPFSCGHCAVQQ-GFCCVEGCSA-N -1 1 376.440 1.882 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C1(F)CCCC1 ZINC001573815610 949656881 /nfs/dbraw/zinc/65/68/81/949656881.db2.gz JILPFSCGHCAVQQ-GFCCVEGCSA-N -1 1 376.440 1.882 20 0 GDADMM C[C@]1(C(=O)N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)CCc2ccccc21 ZINC001575548075 949657430 /nfs/dbraw/zinc/65/74/30/949657430.db2.gz OSKDMKSSFMSJSV-FQEVSTJZSA-N -1 1 390.451 1.209 20 0 GDADMM C[C@]1(C(=O)N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)CCc2ccccc21 ZINC001575548075 949657445 /nfs/dbraw/zinc/65/74/45/949657445.db2.gz OSKDMKSSFMSJSV-FQEVSTJZSA-N -1 1 390.451 1.209 20 0 GDADMM CC(C)CC(C)(C)C(=O)NC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCO1 ZINC001574131442 949660648 /nfs/dbraw/zinc/66/06/48/949660648.db2.gz FXAKGHMZDMIQTR-ZDUSSCGKSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)CC(C)(C)C(=O)NC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCO1 ZINC001574131442 949660659 /nfs/dbraw/zinc/66/06/59/949660659.db2.gz FXAKGHMZDMIQTR-ZDUSSCGKSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)Cc1cncs1 ZINC001573815894 949660749 /nfs/dbraw/zinc/66/07/49/949660749.db2.gz LSTJHZKZRDEPBM-GFCCVEGCSA-N -1 1 387.473 1.299 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)Cc1cncs1 ZINC001573815894 949660762 /nfs/dbraw/zinc/66/07/62/949660762.db2.gz LSTJHZKZRDEPBM-GFCCVEGCSA-N -1 1 387.473 1.299 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@@H]1CCC(F)(F)C1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574715645 949660815 /nfs/dbraw/zinc/66/08/15/949660815.db2.gz JVUMVALNIBOKHC-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@@H]1CCC(F)(F)C1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574715645 949660827 /nfs/dbraw/zinc/66/08/27/949660827.db2.gz JVUMVALNIBOKHC-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574958428 949668902 /nfs/dbraw/zinc/66/89/02/949668902.db2.gz JMRQRFALEBKDIM-VHDGCEQUSA-N -1 1 378.440 1.047 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)Cc1ccsc1 ZINC001573816176 949669539 /nfs/dbraw/zinc/66/95/39/949669539.db2.gz PLEWBEKSXPAESK-CYBMUJFWSA-N -1 1 386.485 1.904 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)Cc1ccsc1 ZINC001573816176 949669556 /nfs/dbraw/zinc/66/95/56/949669556.db2.gz PLEWBEKSXPAESK-CYBMUJFWSA-N -1 1 386.485 1.904 20 0 GDADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCC1(F)F ZINC001573816157 949671582 /nfs/dbraw/zinc/67/15/82/949671582.db2.gz PEEZQESALNTYTJ-ZJUUUORDSA-N -1 1 380.403 1.067 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CCc2ccccc2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575878179 949674977 /nfs/dbraw/zinc/67/49/77/949674977.db2.gz NROMCKXXHXKZMP-GDBMZVCRSA-N -1 1 392.467 1.763 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CCc2ccccc2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575878179 949674989 /nfs/dbraw/zinc/67/49/89/949674989.db2.gz NROMCKXXHXKZMP-GDBMZVCRSA-N -1 1 392.467 1.763 20 0 GDADMM C[C@@H](CN(C)C(=O)CC1(O)CCC1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574716674 949696915 /nfs/dbraw/zinc/69/69/15/949696915.db2.gz POAAXHBXFNDPNA-QMMMGPOBSA-N -1 1 385.881 1.541 20 0 GDADMM C[C@@H](CN(C)C(=O)CC1(O)CCC1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574716674 949696933 /nfs/dbraw/zinc/69/69/33/949696933.db2.gz POAAXHBXFNDPNA-QMMMGPOBSA-N -1 1 385.881 1.541 20 0 GDADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H](C)NC(=O)CCc1ccc(F)cc1 ZINC001575275090 949696925 /nfs/dbraw/zinc/69/69/25/949696925.db2.gz CBKOSEVICCYDNV-NEPJUHHUSA-N -1 1 384.419 1.734 20 0 GDADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)CCc1ccc(F)cc1 ZINC001575275090 949696947 /nfs/dbraw/zinc/69/69/47/949696947.db2.gz CBKOSEVICCYDNV-NEPJUHHUSA-N -1 1 384.419 1.734 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001574132682 949697434 /nfs/dbraw/zinc/69/74/34/949697434.db2.gz AQBAIWGLXPYEBB-SOUVJXGZSA-N -1 1 384.488 1.909 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001574132682 949697447 /nfs/dbraw/zinc/69/74/47/949697447.db2.gz AQBAIWGLXPYEBB-SOUVJXGZSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574959030 949700931 /nfs/dbraw/zinc/70/09/31/949700931.db2.gz PPHMYLAEBDTCKA-BGZDPUMWSA-N -1 1 383.865 1.461 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C1CCC(O)CC1 ZINC001573817691 949704165 /nfs/dbraw/zinc/70/41/65/949704165.db2.gz ACEOVBIRPSIUJV-ORHYLEIMSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C1CCC(O)CC1 ZINC001573817691 949704179 /nfs/dbraw/zinc/70/41/79/949704179.db2.gz ACEOVBIRPSIUJV-ORHYLEIMSA-N -1 1 388.476 1.151 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@@H]1CCC(F)(F)C1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574716838 949706550 /nfs/dbraw/zinc/70/65/50/949706550.db2.gz RFCUAJKUADLTBK-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@@H]1CCC(F)(F)C1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574716838 949706562 /nfs/dbraw/zinc/70/65/62/949706562.db2.gz RFCUAJKUADLTBK-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001574478408 949706856 /nfs/dbraw/zinc/70/68/56/949706856.db2.gz ZCEIBSKZQLGCGH-VHSXEESVSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001574478408 949706872 /nfs/dbraw/zinc/70/68/72/949706872.db2.gz ZCEIBSKZQLGCGH-VHSXEESVSA-N -1 1 384.366 1.282 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CCCOCC1 ZINC001573817867 949707797 /nfs/dbraw/zinc/70/77/97/949707797.db2.gz BYZMAUFNAPJYNO-TZMCWYRMSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCCOCC1 ZINC001573817867 949707814 /nfs/dbraw/zinc/70/78/14/949707814.db2.gz BYZMAUFNAPJYNO-TZMCWYRMSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@H]1CCCN(C(=O)Cc2ccco2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576170458 949720078 /nfs/dbraw/zinc/72/00/78/949720078.db2.gz KWZMULVOWNPSKE-SWLSCSKDSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@H]1CCCN(C(=O)Cc2ccco2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576170458 949720092 /nfs/dbraw/zinc/72/00/92/949720092.db2.gz KWZMULVOWNPSKE-SWLSCSKDSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@H]1CCCC[C@H]1C(=O)NC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576170588 949721742 /nfs/dbraw/zinc/72/17/42/949721742.db2.gz MCOVPFGABIKWJU-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCCC[C@H]1C(=O)NC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576170588 949721755 /nfs/dbraw/zinc/72/17/55/949721755.db2.gz MCOVPFGABIKWJU-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574960399 949723124 /nfs/dbraw/zinc/72/31/24/949723124.db2.gz WVMPFRLIDBREIZ-DDTOSNHZSA-N -1 1 382.403 1.516 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574960399 949723137 /nfs/dbraw/zinc/72/31/37/949723137.db2.gz WVMPFRLIDBREIZ-DDTOSNHZSA-N -1 1 382.403 1.516 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N1CCO[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574134723 949723656 /nfs/dbraw/zinc/72/36/56/949723656.db2.gz ITJJFTIGVMICST-KGLIPLIRSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N1CCO[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574134723 949723680 /nfs/dbraw/zinc/72/36/80/949723680.db2.gz ITJJFTIGVMICST-KGLIPLIRSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCc1ccco1 ZINC001573818222 949726819 /nfs/dbraw/zinc/72/68/19/949726819.db2.gz IKMRWQMJJSTIPS-CQSZACIVSA-N -1 1 384.444 1.825 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCc1ccco1 ZINC001573818222 949726826 /nfs/dbraw/zinc/72/68/26/949726826.db2.gz IKMRWQMJJSTIPS-CQSZACIVSA-N -1 1 384.444 1.825 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cc(Cl)c[nH]1 ZINC001573818237 949726940 /nfs/dbraw/zinc/72/69/40/949726940.db2.gz ISINLEFPQHWOHB-LLVKDONJSA-N -1 1 389.851 1.317 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1sccc1F ZINC001573818230 949727540 /nfs/dbraw/zinc/72/75/40/949727540.db2.gz IRKGVNACZMRFCZ-SNVBAGLBSA-N -1 1 390.448 1.536 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1)C1CC1 ZINC001574479287 949732354 /nfs/dbraw/zinc/73/23/54/949732354.db2.gz DFLWRPACFIRBEH-ORAYPTAESA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1)C1CC1 ZINC001574479287 949732366 /nfs/dbraw/zinc/73/23/66/949732366.db2.gz DFLWRPACFIRBEH-ORAYPTAESA-N -1 1 382.472 1.522 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[nH]n2)cn1)NC(=O)c1ncccc1[O-] ZINC001573818717 949739907 /nfs/dbraw/zinc/73/99/07/949739907.db2.gz OPXSVLYVVLBEOX-GFCCVEGCSA-N -1 1 383.416 1.014 20 0 GDADMM C[C@H]1CCCN(C(=O)CCCC2CC2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576171012 949741510 /nfs/dbraw/zinc/74/15/10/949741510.db2.gz OPPPYUHDNLKFQO-DZGCQCFKSA-N -1 1 384.488 1.698 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001574136696 949749524 /nfs/dbraw/zinc/74/95/24/949749524.db2.gz PTXYVAXDJZBRIX-KFWWJZLASA-N -1 1 384.488 1.909 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001574136696 949749531 /nfs/dbraw/zinc/74/95/31/949749531.db2.gz PTXYVAXDJZBRIX-KFWWJZLASA-N -1 1 384.488 1.909 20 0 GDADMM CC1(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2cncc(-c3nnn[n-]3)n2)CCCC1 ZINC001575559221 949752266 /nfs/dbraw/zinc/75/22/66/949752266.db2.gz AHTZMAXJQLSTHN-AGUYFDCRSA-N -1 1 382.472 1.853 20 0 GDADMM CC1(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2cncc(-c3nn[n-]n3)n2)CCCC1 ZINC001575559221 949752282 /nfs/dbraw/zinc/75/22/82/949752282.db2.gz AHTZMAXJQLSTHN-AGUYFDCRSA-N -1 1 382.472 1.853 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)COC1CCCC1 ZINC001573819760 949755896 /nfs/dbraw/zinc/75/58/96/949755896.db2.gz UVFWPKDFYFMAEM-AWEZNQCLSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)COC1CCCC1 ZINC001573819760 949755906 /nfs/dbraw/zinc/75/59/06/949755906.db2.gz UVFWPKDFYFMAEM-AWEZNQCLSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001574480858 949759282 /nfs/dbraw/zinc/75/92/82/949759282.db2.gz KSHRSDKFRHBBPA-NXEZZACHSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001574480858 949759302 /nfs/dbraw/zinc/75/93/02/949759302.db2.gz KSHRSDKFRHBBPA-NXEZZACHSA-N -1 1 384.366 1.506 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CC[C@@H]1CCCO1 ZINC001573819819 949760303 /nfs/dbraw/zinc/76/03/03/949760303.db2.gz VUSJFRCHLARKEA-GXTWGEPZSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CC[C@@H]1CCCO1 ZINC001573819819 949760317 /nfs/dbraw/zinc/76/03/17/949760317.db2.gz VUSJFRCHLARKEA-GXTWGEPZSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1CCC1(F)F ZINC001573820747 949769927 /nfs/dbraw/zinc/76/99/27/949769927.db2.gz ZXCKZSKWRRJUPH-GXSJLCMTSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1CCC1(F)F ZINC001573820747 949769940 /nfs/dbraw/zinc/76/99/40/949769940.db2.gz ZXCKZSKWRRJUPH-GXSJLCMTSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@@H](CC(=O)N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1)[C@@H]1CCCO1 ZINC001574481537 949781507 /nfs/dbraw/zinc/78/15/07/949781507.db2.gz RCRLWRXTFMRJSH-WFASDCNBSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H](CC(=O)N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1)[C@@H]1CCCO1 ZINC001574481537 949781528 /nfs/dbraw/zinc/78/15/28/949781528.db2.gz RCRLWRXTFMRJSH-WFASDCNBSA-N -1 1 386.460 1.265 20 0 GDADMM CC1(C(=O)N[C@H]2CC23CCN(c2cncc(-c4nnn[n-]4)n2)CC3)CCCC1 ZINC001575560540 949791254 /nfs/dbraw/zinc/79/12/54/949791254.db2.gz RMCZLEMKWTUISI-AWEZNQCLSA-N -1 1 382.472 1.712 20 0 GDADMM CC1(C(=O)N[C@H]2CC23CCN(c2cncc(-c4nn[n-]n4)n2)CC3)CCCC1 ZINC001575560540 949791260 /nfs/dbraw/zinc/79/12/60/949791260.db2.gz RMCZLEMKWTUISI-AWEZNQCLSA-N -1 1 382.472 1.712 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H](CN(C)c2cnc(-c3nnn[n-]3)cn2)C1)C1CC1 ZINC001574481704 949798979 /nfs/dbraw/zinc/79/89/79/949798979.db2.gz UGFLUEWGYVQIFO-UONOGXRCSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H](CN(C)c2cnc(-c3nn[n-]n3)cn2)C1)C1CC1 ZINC001574481704 949798990 /nfs/dbraw/zinc/79/89/90/949798990.db2.gz UGFLUEWGYVQIFO-UONOGXRCSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H]1CCCC[C@H]1C(=O)N1CCC(N(C)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576172320 949800364 /nfs/dbraw/zinc/80/03/64/949800364.db2.gz TZISXXTZNIMBFS-DZGCQCFKSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)(C)[C@@H](CNc1ncccc1-c1nn[nH]n1)NC(=O)c1ncccc1[O-] ZINC001573823019 949813977 /nfs/dbraw/zinc/81/39/77/949813977.db2.gz PWUXHLHESZYYST-CYBMUJFWSA-N -1 1 382.428 1.619 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1 ZINC001574139932 949823686 /nfs/dbraw/zinc/82/36/86/949823686.db2.gz LPQYKQMECDMHKX-KBXIAJHMSA-N -1 1 384.488 1.955 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1 ZINC001574139932 949823709 /nfs/dbraw/zinc/82/37/09/949823709.db2.gz LPQYKQMECDMHKX-KBXIAJHMSA-N -1 1 384.488 1.955 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CC1CCOCC1 ZINC001573823280 949824181 /nfs/dbraw/zinc/82/41/81/949824181.db2.gz TVWNVYBCNJXPOU-ZDUSSCGKSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CC1CCOCC1 ZINC001573823280 949824205 /nfs/dbraw/zinc/82/42/05/949824205.db2.gz TVWNVYBCNJXPOU-ZDUSSCGKSA-N -1 1 388.476 1.416 20 0 GDADMM CC1(C(=O)N[C@@H]2CC[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)CC(F)(F)C1 ZINC001575562989 949830097 /nfs/dbraw/zinc/83/00/97/949830097.db2.gz IYAWBCOTPRBILJ-GHMZBOCLSA-N -1 1 392.414 1.789 20 0 GDADMM CC1(C(=O)N[C@@H]2CC[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)CC(F)(F)C1 ZINC001575562989 949830133 /nfs/dbraw/zinc/83/01/33/949830133.db2.gz IYAWBCOTPRBILJ-GHMZBOCLSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@@H]1CCCC[C@@H]1C(=O)NC1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576173007 949832809 /nfs/dbraw/zinc/83/28/09/949832809.db2.gz WKXHUZVMVNPGSC-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCCC[C@@H]1C(=O)NC1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576173007 949832833 /nfs/dbraw/zinc/83/28/33/949832833.db2.gz WKXHUZVMVNPGSC-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCCC[C@H]1C(=O)NC1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576173011 949833083 /nfs/dbraw/zinc/83/30/83/949833083.db2.gz WKXHUZVMVNPGSC-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCCC[C@H]1C(=O)NC1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576173011 949833097 /nfs/dbraw/zinc/83/30/97/949833097.db2.gz WKXHUZVMVNPGSC-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCCC[C@@H]1CC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576173386 949844347 /nfs/dbraw/zinc/84/43/47/949844347.db2.gz YFDCUCKWDVYWBM-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCCC[C@@H]1CC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576173386 949844370 /nfs/dbraw/zinc/84/43/70/949844370.db2.gz YFDCUCKWDVYWBM-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1)c1ccco1 ZINC001574483984 949852052 /nfs/dbraw/zinc/85/20/52/949852052.db2.gz BJQLVGGDIFVQFH-STQMWFEESA-N -1 1 382.428 1.846 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1)c1ccco1 ZINC001574483984 949852079 /nfs/dbraw/zinc/85/20/79/949852079.db2.gz BJQLVGGDIFVQFH-STQMWFEESA-N -1 1 382.428 1.846 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001574484193 949864442 /nfs/dbraw/zinc/86/44/42/949864442.db2.gz FFLOFXNOGJPUDZ-VHSXEESVSA-N -1 1 384.366 1.070 20 0 GDADMM CC1(C(=O)N[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)CC2)CC(F)(F)C1 ZINC001575564946 949868533 /nfs/dbraw/zinc/86/85/33/949868533.db2.gz UDFCTLGGXWRNIG-NSHDSACASA-N -1 1 392.414 1.567 20 0 GDADMM CC1(C(=O)N[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)CC2)CC(F)(F)C1 ZINC001575564946 949868552 /nfs/dbraw/zinc/86/85/52/949868552.db2.gz UDFCTLGGXWRNIG-NSHDSACASA-N -1 1 392.414 1.567 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccco2)[C@@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001576177942 949870728 /nfs/dbraw/zinc/87/07/28/949870728.db2.gz ABTSSLMCVDFZPD-GXTWGEPZSA-N -1 1 382.428 1.993 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccco2)[C@@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001576177942 949870740 /nfs/dbraw/zinc/87/07/40/949870740.db2.gz ABTSSLMCVDFZPD-GXTWGEPZSA-N -1 1 382.428 1.993 20 0 GDADMM C[C@H](CC(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)c1ccccc1 ZINC001574484602 949886116 /nfs/dbraw/zinc/88/61/16/949886116.db2.gz KTLNKECYENLJPW-OAHLLOKOSA-N -1 1 392.467 1.889 20 0 GDADMM C[C@H](CC(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)c1ccccc1 ZINC001574484602 949886136 /nfs/dbraw/zinc/88/61/36/949886136.db2.gz KTLNKECYENLJPW-OAHLLOKOSA-N -1 1 392.467 1.889 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cn[nH]c2)[C@@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576178691 949896142 /nfs/dbraw/zinc/89/61/42/949896142.db2.gz CKZFLFKZGLKURG-SMDDNHRTSA-N -1 1 382.432 1.123 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cn[nH]c2)[C@@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576178691 949896167 /nfs/dbraw/zinc/89/61/67/949896167.db2.gz CKZFLFKZGLKURG-SMDDNHRTSA-N -1 1 382.432 1.123 20 0 GDADMM C[C@H]1CCCN(C(=O)c2nccs2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576178797 949897026 /nfs/dbraw/zinc/89/70/26/949897026.db2.gz IVWVRBFKMIXVCD-QWRGUYRKSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H]1CCCN(C(=O)c2nccs2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576178797 949897049 /nfs/dbraw/zinc/89/70/49/949897049.db2.gz IVWVRBFKMIXVCD-QWRGUYRKSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(CCF)CC2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576179624 949922233 /nfs/dbraw/zinc/92/22/33/949922233.db2.gz BHJGYHLUDXILHH-OLZOCXBDSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(CCF)CC2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576179624 949922248 /nfs/dbraw/zinc/92/22/48/949922248.db2.gz BHJGYHLUDXILHH-OLZOCXBDSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@@H](CC(=O)N1C[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1)C1CC1 ZINC001574487673 949931129 /nfs/dbraw/zinc/93/11/29/949931129.db2.gz AYJDLACKUKKATO-CFVMTHIKSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H](CC(=O)N1C[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1)C1CC1 ZINC001574487673 949931142 /nfs/dbraw/zinc/93/11/42/949931142.db2.gz AYJDLACKUKKATO-CFVMTHIKSA-N -1 1 382.472 1.378 20 0 GDADMM CC(C)(C)[C@H]1CCC[C@@H](NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC1 ZINC001573828407 949934614 /nfs/dbraw/zinc/93/46/14/949934614.db2.gz SIXGVIAJFJYTBA-NWDGAFQWSA-N -1 1 389.460 1.240 20 0 GDADMM C[C@H](CC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@]2(C)C1)C1CC1 ZINC001574488020 949935178 /nfs/dbraw/zinc/93/51/78/949935178.db2.gz CBRZFAIPOOQTGI-TVZGQMOCSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@]1(C(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CCc2ccccc21 ZINC001575569839 949936106 /nfs/dbraw/zinc/93/61/06/949936106.db2.gz OXPYOOQSXZLDLY-VLIAUNLRSA-N -1 1 390.451 1.256 20 0 GDADMM C[C@]1(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CCc2ccccc21 ZINC001575569839 949936128 /nfs/dbraw/zinc/93/61/28/949936128.db2.gz OXPYOOQSXZLDLY-VLIAUNLRSA-N -1 1 390.451 1.256 20 0 GDADMM CC(C)(C)/C=C/C(=O)NC1(CNc2ccc(-c3nnn[n-]3)nn2)CCOCC1 ZINC001573829410 949957733 /nfs/dbraw/zinc/95/77/33/949957733.db2.gz YZJXLNCFRYYRPB-VOTSOKGWSA-N -1 1 386.460 1.336 20 0 GDADMM CC(C)(C)/C=C/C(=O)NC1(CNc2ccc(-c3nn[n-]n3)nn2)CCOCC1 ZINC001573829410 949957743 /nfs/dbraw/zinc/95/77/43/949957743.db2.gz YZJXLNCFRYYRPB-VOTSOKGWSA-N -1 1 386.460 1.336 20 0 GDADMM CC1(C)CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1NC(=O)C1(C)CCCCC1 ZINC001575571790 949958358 /nfs/dbraw/zinc/95/83/58/949958358.db2.gz ANAIRAHJJSILRQ-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1NC(=O)C1(C)CCCCC1 ZINC001575571790 949958368 /nfs/dbraw/zinc/95/83/68/949958368.db2.gz ANAIRAHJJSILRQ-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1NC(=O)C1(C)CCCCC1 ZINC001575571789 949960934 /nfs/dbraw/zinc/96/09/34/949960934.db2.gz ANAIRAHJJSILRQ-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1NC(=O)C1(C)CCCCC1 ZINC001575571789 949960950 /nfs/dbraw/zinc/96/09/50/949960950.db2.gz ANAIRAHJJSILRQ-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CCCN1CCN(c2ccc(NC(=O)NC[C@@](C)(O)C(=O)[O-])cc2Cl)CC1 ZINC001589674643 949980570 /nfs/dbraw/zinc/98/05/70/949980570.db2.gz CRLVQUPWAJUPTE-GOSISDBHSA-N -1 1 398.891 1.829 20 0 GDADMM C[C@H](CC(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)C(F)(F)F ZINC001574490235 949985670 /nfs/dbraw/zinc/98/56/70/949985670.db2.gz PHTOZYOJJQSAFP-SCZZXKLOSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](CC(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)C(F)(F)F ZINC001574490235 949985699 /nfs/dbraw/zinc/98/56/99/949985699.db2.gz PHTOZYOJJQSAFP-SCZZXKLOSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1cccnc1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574728575 949993674 /nfs/dbraw/zinc/99/36/74/949993674.db2.gz DKSDSYDWTHZNAU-SECBINFHSA-N -1 1 392.876 1.873 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1cccnc1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574728575 949993688 /nfs/dbraw/zinc/99/36/88/949993688.db2.gz DKSDSYDWTHZNAU-SECBINFHSA-N -1 1 392.876 1.873 20 0 GDADMM C[C@@H](CC(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@]2(C)C1)C1CC1 ZINC001574490471 949994340 /nfs/dbraw/zinc/99/43/40/949994340.db2.gz SIUQXBYXEWYDOO-CFZJUORYSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H](CC(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@]2(C)C1)C1CC1 ZINC001574490471 949994370 /nfs/dbraw/zinc/99/43/70/949994370.db2.gz SIUQXBYXEWYDOO-CFZJUORYSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H](NC(=O)Cc1ccccc1)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575289654 950001965 /nfs/dbraw/zinc/00/19/65/950001965.db2.gz BABDDSNZHKCPSJ-HOCLYGCPSA-N -1 1 392.467 1.621 20 0 GDADMM C[C@H](NC(=O)Cc1ccccc1)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575289654 950001983 /nfs/dbraw/zinc/00/19/83/950001983.db2.gz BABDDSNZHKCPSJ-HOCLYGCPSA-N -1 1 392.467 1.621 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1cccc(C2CC2)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574729542 950023048 /nfs/dbraw/zinc/02/30/48/950023048.db2.gz OFQHFIDKXZGRKV-CYBMUJFWSA-N -1 1 392.467 1.458 20 0 GDADMM CC(C)(C)CC(=O)NC1(C2CCN(c3nccnc3-c3nnn[n-]3)CC2)CC1 ZINC001573834891 950027660 /nfs/dbraw/zinc/02/76/60/950027660.db2.gz LVLGGKJINVIHCL-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C)CC(=O)NC1(C2CCN(c3nccnc3-c3nn[n-]n3)CC2)CC1 ZINC001573834891 950027684 /nfs/dbraw/zinc/02/76/84/950027684.db2.gz LVLGGKJINVIHCL-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CC(=O)N[C@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001574491946 950052155 /nfs/dbraw/zinc/05/21/55/950052155.db2.gz HGUGLTCTRJBLOW-JLTOFOAXSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H](CC(=O)N[C@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574491946 950052175 /nfs/dbraw/zinc/05/21/75/950052175.db2.gz HGUGLTCTRJBLOW-JLTOFOAXSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C)C1CC1 ZINC001574492127 950060671 /nfs/dbraw/zinc/06/06/71/950060671.db2.gz JNEOFRZTNCDXNR-IUODEOHRSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C)C1CC1 ZINC001574492127 950060692 /nfs/dbraw/zinc/06/06/92/950060692.db2.gz JNEOFRZTNCDXNR-IUODEOHRSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](CN(C)C(=O)Cn1ccc2ccccc21)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574732573 950074117 /nfs/dbraw/zinc/07/41/17/950074117.db2.gz KFXAWNIZQJITNG-CYBMUJFWSA-N -1 1 391.439 1.570 20 0 GDADMM C[C@H](CN(C)C(=O)Cn1ccc2ccccc21)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574732573 950074145 /nfs/dbraw/zinc/07/41/45/950074145.db2.gz KFXAWNIZQJITNG-CYBMUJFWSA-N -1 1 391.439 1.570 20 0 GDADMM C[C@H](CC(=O)NC1CC(CNc2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001574492368 950074940 /nfs/dbraw/zinc/07/49/40/950074940.db2.gz MKFPULBYHVEMAN-IYXRBSQSSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](CC(=O)NC1CC(CNc2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001574492368 950074960 /nfs/dbraw/zinc/07/49/60/950074960.db2.gz MKFPULBYHVEMAN-IYXRBSQSSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](CC(=O)NC1CC(CNc2cncc(-c3nnn[n-]3)n2)C1)c1ccco1 ZINC001574492444 950084036 /nfs/dbraw/zinc/08/40/36/950084036.db2.gz MUWJCPIKSRVFMO-HIFPTAJRSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](CC(=O)NC1CC(CNc2cncc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574492444 950084055 /nfs/dbraw/zinc/08/40/55/950084055.db2.gz MUWJCPIKSRVFMO-HIFPTAJRSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(C3CC3)CC2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576183358 950085067 /nfs/dbraw/zinc/08/50/67/950085067.db2.gz QAGDITSSAMSKNY-CHWSQXEVSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(C3CC3)CC2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576183358 950085084 /nfs/dbraw/zinc/08/50/84/950085084.db2.gz QAGDITSSAMSKNY-CHWSQXEVSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001574492503 950086025 /nfs/dbraw/zinc/08/60/25/950086025.db2.gz NNHQCEDLXJMAPL-ZJUUUORDSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001574492503 950086046 /nfs/dbraw/zinc/08/60/46/950086046.db2.gz NNHQCEDLXJMAPL-ZJUUUORDSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H]1CCN(C(=O)C2=COCCC2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576183580 950089094 /nfs/dbraw/zinc/08/90/94/950089094.db2.gz QFMILZCGGCRKSD-OCCSQVGLSA-N -1 1 384.444 1.248 20 0 GDADMM C[C@@H]1CCN(C(=O)C2=COCCC2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576183580 950089113 /nfs/dbraw/zinc/08/91/13/950089113.db2.gz QFMILZCGGCRKSD-OCCSQVGLSA-N -1 1 384.444 1.248 20 0 GDADMM CC(C)(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001573838402 950112481 /nfs/dbraw/zinc/11/24/81/950112481.db2.gz BXFFBXPXRCWWTM-BTTYYORXSA-N -1 1 384.488 1.957 20 0 GDADMM CC(C)(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001573838402 950112498 /nfs/dbraw/zinc/11/24/98/950112498.db2.gz BXFFBXPXRCWWTM-BTTYYORXSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H](CC(=O)NC[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1)C(F)(F)F ZINC001574493375 950127066 /nfs/dbraw/zinc/12/70/66/950127066.db2.gz GBXPKRHHKTWWOC-SCZZXKLOSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](CC(=O)NC[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1)C(F)(F)F ZINC001574493375 950127081 /nfs/dbraw/zinc/12/70/81/950127081.db2.gz GBXPKRHHKTWWOC-SCZZXKLOSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@]1(C(=O)NCC2(Nc3snc(Cl)c3-c3nnn[n-]3)CC2)CCOC1 ZINC001575583041 950137459 /nfs/dbraw/zinc/13/74/59/950137459.db2.gz OARUFJISVBMKNM-ZDUSSCGKSA-N -1 1 383.865 1.464 20 0 GDADMM C[C@]1(C(=O)NCC2(Nc3snc(Cl)c3-c3nn[n-]n3)CC2)CCOC1 ZINC001575583041 950137474 /nfs/dbraw/zinc/13/74/74/950137474.db2.gz OARUFJISVBMKNM-ZDUSSCGKSA-N -1 1 383.865 1.464 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H]1CCCOCC1 ZINC001574154093 950166878 /nfs/dbraw/zinc/16/68/78/950166878.db2.gz BDRZSEGGHHOGJZ-ZIAGYGMSSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H]1CCCOCC1 ZINC001574154093 950166891 /nfs/dbraw/zinc/16/68/91/950166891.db2.gz BDRZSEGGHHOGJZ-ZIAGYGMSSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@H]1CCN(C(=O)c2cscn2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576190879 950177002 /nfs/dbraw/zinc/17/70/02/950177002.db2.gz CIQDRLVTRFSKCQ-QWRGUYRKSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H]1CCN(C(=O)c2cscn2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576190879 950177008 /nfs/dbraw/zinc/17/70/08/950177008.db2.gz CIQDRLVTRFSKCQ-QWRGUYRKSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@@H](CC(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)n1cccc1 ZINC001574494680 950178251 /nfs/dbraw/zinc/17/82/51/950178251.db2.gz MQXCPXQTAAANLX-ZDUSSCGKSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](CC(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)n1cccc1 ZINC001574494680 950178264 /nfs/dbraw/zinc/17/82/64/950178264.db2.gz MQXCPXQTAAANLX-ZDUSSCGKSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1ccco1 ZINC001574494786 950182611 /nfs/dbraw/zinc/18/26/11/950182611.db2.gz OKLSINBXMWCWPY-DGCLKSJQSA-N -1 1 382.428 1.172 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccsn2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576191125 950189959 /nfs/dbraw/zinc/18/99/59/950189959.db2.gz DPLVZQFLDAAVTN-MNOVXSKESA-N -1 1 385.457 1.324 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccsn2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576191125 950189971 /nfs/dbraw/zinc/18/99/71/950189971.db2.gz DPLVZQFLDAAVTN-MNOVXSKESA-N -1 1 385.457 1.324 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H](CO)Nc1cnc(-c2nnn[n-]2)cn1)CC(C)(C)C ZINC001574494967 950192888 /nfs/dbraw/zinc/19/28/88/950192888.db2.gz QQDDBRRJIGIGEW-RYUDHWBXSA-N -1 1 376.465 1.008 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H](CO)Nc1cnc(-c2nn[n-]n2)cn1)CC(C)(C)C ZINC001574494967 950192897 /nfs/dbraw/zinc/19/28/97/950192897.db2.gz QQDDBRRJIGIGEW-RYUDHWBXSA-N -1 1 376.465 1.008 20 0 GDADMM C[C@@H](CNC(=O)c1c[nH]nc1C(C)(C)C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574983448 950219916 /nfs/dbraw/zinc/21/99/16/950219916.db2.gz OBCVVRMIONPRRW-SNVBAGLBSA-N -1 1 384.448 1.155 20 0 GDADMM C[C@@H](CNC(=O)c1c[nH]nc1C(C)(C)C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574983448 950219934 /nfs/dbraw/zinc/21/99/34/950219934.db2.gz OBCVVRMIONPRRW-SNVBAGLBSA-N -1 1 384.448 1.155 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccccc2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576192163 950227429 /nfs/dbraw/zinc/22/74/29/950227429.db2.gz MGPVQSQWSMQMJI-DZGCQCFKSA-N -1 1 378.440 1.867 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccccc2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576192163 950227449 /nfs/dbraw/zinc/22/74/49/950227449.db2.gz MGPVQSQWSMQMJI-DZGCQCFKSA-N -1 1 378.440 1.867 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573845602 950235737 /nfs/dbraw/zinc/23/57/37/950235737.db2.gz IQRAKNVFRCACGY-HZSPNIEDSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573845602 950235750 /nfs/dbraw/zinc/23/57/50/950235750.db2.gz IQRAKNVFRCACGY-HZSPNIEDSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573846100 950246833 /nfs/dbraw/zinc/24/68/33/950246833.db2.gz OAZMMPYCPMEOOP-MELADBBJSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573846100 950246850 /nfs/dbraw/zinc/24/68/50/950246850.db2.gz OAZMMPYCPMEOOP-MELADBBJSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C(=O)NCC[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CCCCC1 ZINC001575592077 950276579 /nfs/dbraw/zinc/27/65/79/950276579.db2.gz BXRDYCPKEUVXFM-CQSZACIVSA-N -1 1 384.488 1.960 20 0 GDADMM C[C@H]1CCN(C(=O)c2cncs2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576193307 950289930 /nfs/dbraw/zinc/28/99/30/950289930.db2.gz SLQAMUZHGJLVKF-QWRGUYRKSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H]1CCN(C(=O)c2cncs2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576193307 950289950 /nfs/dbraw/zinc/28/99/50/950289950.db2.gz SLQAMUZHGJLVKF-QWRGUYRKSA-N -1 1 385.457 1.324 20 0 GDADMM CC1(C(=O)NCC[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CCCCC1 ZINC001575592638 950294203 /nfs/dbraw/zinc/29/42/03/950294203.db2.gz IEWJAUWYGOSEBO-CQSZACIVSA-N -1 1 384.488 1.960 20 0 GDADMM CC1(C(=O)NCC[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CCCCC1 ZINC001575592638 950294217 /nfs/dbraw/zinc/29/42/17/950294217.db2.gz IEWJAUWYGOSEBO-CQSZACIVSA-N -1 1 384.488 1.960 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)Nc2n[nH]cc2-c2nnn[n-]2)CC1 ZINC001573852090 950302673 /nfs/dbraw/zinc/30/26/73/950302673.db2.gz CKIVFLIRVORGIM-SNVBAGLBSA-N -1 1 376.421 1.566 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)Nc2n[nH]cc2-c2nn[n-]n2)CC1 ZINC001573852090 950302694 /nfs/dbraw/zinc/30/26/94/950302694.db2.gz CKIVFLIRVORGIM-SNVBAGLBSA-N -1 1 376.421 1.566 20 0 GDADMM CC1(C(=O)NCCC2(CNc3cncc(-c4nnn[n-]4)n3)CC2)CC(F)(F)C1 ZINC001575593038 950309043 /nfs/dbraw/zinc/30/90/43/950309043.db2.gz FELZLEJEISUZQY-UHFFFAOYSA-N -1 1 392.414 1.791 20 0 GDADMM CC1(C(=O)NCCC2(CNc3cncc(-c4nn[n-]n4)n3)CC2)CC(F)(F)C1 ZINC001575593038 950309065 /nfs/dbraw/zinc/30/90/65/950309065.db2.gz FELZLEJEISUZQY-UHFFFAOYSA-N -1 1 392.414 1.791 20 0 GDADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccoc1Cl ZINC001574159632 950309595 /nfs/dbraw/zinc/30/95/95/950309595.db2.gz XBOMRNLASWCERX-JTQLQIEISA-N -1 1 390.835 1.582 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CC[C@@H]1CCCO1 ZINC001574159879 950320733 /nfs/dbraw/zinc/32/07/33/950320733.db2.gz ZBPJGFLWRZDTPP-KBPBESRZSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CC[C@@H]1CCCO1 ZINC001574159879 950320749 /nfs/dbraw/zinc/32/07/49/950320749.db2.gz ZBPJGFLWRZDTPP-KBPBESRZSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)OC(=O)N1CCCC(C)(C)[C@H]1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001573853198 950323996 /nfs/dbraw/zinc/32/39/96/950323996.db2.gz NYVQWCIHPZNSGX-LLVKDONJSA-N -1 1 390.448 1.954 20 0 GDADMM CC(C)(C)OC(=O)N1CCCC(C)(C)[C@H]1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001573853198 950324016 /nfs/dbraw/zinc/32/40/16/950324016.db2.gz NYVQWCIHPZNSGX-LLVKDONJSA-N -1 1 390.448 1.954 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C1(CF)CCC1 ZINC001574159793 950324222 /nfs/dbraw/zinc/32/42/22/950324222.db2.gz JCXCNRPMHRDYMJ-GFCCVEGCSA-N -1 1 376.440 1.739 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C1(CF)CCC1 ZINC001574159793 950324244 /nfs/dbraw/zinc/32/42/44/950324244.db2.gz JCXCNRPMHRDYMJ-GFCCVEGCSA-N -1 1 376.440 1.739 20 0 GDADMM CC(C)(C)OC(=O)N1CC(NC(=O)NCc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573853673 950326098 /nfs/dbraw/zinc/32/60/98/950326098.db2.gz SHVCBGUKXKRVLI-UHFFFAOYSA-N -1 1 379.446 1.347 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001574501277 950328138 /nfs/dbraw/zinc/32/81/38/950328138.db2.gz CKQSECHUXCSXSO-VHSXEESVSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCCCCN1c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001574502106 950358465 /nfs/dbraw/zinc/35/84/65/950358465.db2.gz IWLYYXHLAPPTAD-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCn1cccc1 ZINC001574161349 950360181 /nfs/dbraw/zinc/36/01/81/950360181.db2.gz UHTZPMQQIZWJAD-CQSZACIVSA-N -1 1 383.460 1.491 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCn1cccc1 ZINC001574161349 950360203 /nfs/dbraw/zinc/36/02/03/950360203.db2.gz UHTZPMQQIZWJAD-CQSZACIVSA-N -1 1 383.460 1.491 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)c1ccco1 ZINC001574502259 950369335 /nfs/dbraw/zinc/36/93/35/950369335.db2.gz LCARZNKRODYSKH-QWHCGFSZSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)c1ccco1 ZINC001574502259 950369359 /nfs/dbraw/zinc/36/93/59/950369359.db2.gz LCARZNKRODYSKH-QWHCGFSZSA-N -1 1 382.428 1.529 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C1(F)CCCC1 ZINC001574161784 950370506 /nfs/dbraw/zinc/37/05/06/950370506.db2.gz XDLFUCPIUUSRJQ-GFCCVEGCSA-N -1 1 376.440 1.882 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C1(F)CCCC1 ZINC001574161784 950370523 /nfs/dbraw/zinc/37/05/23/950370523.db2.gz XDLFUCPIUUSRJQ-GFCCVEGCSA-N -1 1 376.440 1.882 20 0 GDADMM CC1(C(=O)NC[C@H]2Cc3ccccc3CN2c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575596503 950377202 /nfs/dbraw/zinc/37/72/02/950377202.db2.gz SXNSESTVVUCIJH-OAHLLOKOSA-N -1 1 390.451 1.504 20 0 GDADMM CC1(C(=O)NC[C@H]2Cc3ccccc3CN2c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575596503 950377224 /nfs/dbraw/zinc/37/72/24/950377224.db2.gz SXNSESTVVUCIJH-OAHLLOKOSA-N -1 1 390.451 1.504 20 0 GDADMM CC(C)CC1(C(=O)N(C)[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CCC1 ZINC001574162756 950399249 /nfs/dbraw/zinc/39/92/49/950399249.db2.gz IOAYDGBNGUIRFJ-CQSZACIVSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)(C)OC(=O)NCC1(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)CCCC1 ZINC001573860076 950418274 /nfs/dbraw/zinc/41/82/74/950418274.db2.gz DCIIHOBOTNWCGU-UHFFFAOYSA-N -1 1 376.421 1.613 20 0 GDADMM CC(C)(C)OC(=O)NCC1(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)CCCC1 ZINC001573860076 950418288 /nfs/dbraw/zinc/41/82/88/950418288.db2.gz DCIIHOBOTNWCGU-UHFFFAOYSA-N -1 1 376.421 1.613 20 0 GDADMM C[C@]1(C(=O)N[C@@H]2CCCC[C@H]2Nc2nccnc2-c2nnn[n-]2)CCCOC1 ZINC001575599066 950422675 /nfs/dbraw/zinc/42/26/75/950422675.db2.gz BNUBDRRSSOKPLY-VFVRVIDISA-N -1 1 386.460 1.313 20 0 GDADMM C[C@]1(C(=O)N[C@@H]2CCCC[C@H]2Nc2nccnc2-c2nn[n-]n2)CCCOC1 ZINC001575599066 950422682 /nfs/dbraw/zinc/42/26/82/950422682.db2.gz BNUBDRRSSOKPLY-VFVRVIDISA-N -1 1 386.460 1.313 20 0 GDADMM CC(C)CC1(C(=O)N(C)C[C@H](O)CNc2cnc(-c3nnn[n-]3)cn2)CCC1 ZINC001574163848 950441637 /nfs/dbraw/zinc/44/16/37/950441637.db2.gz ZNOAWFGIROINGZ-CYBMUJFWSA-N -1 1 388.476 1.104 20 0 GDADMM CC(C)CC1(C(=O)N(C)C[C@H](O)CNc2cnc(-c3nn[n-]n3)cn2)CCC1 ZINC001574163848 950441647 /nfs/dbraw/zinc/44/16/47/950441647.db2.gz ZNOAWFGIROINGZ-CYBMUJFWSA-N -1 1 388.476 1.104 20 0 GDADMM C[C@@H](CC(=O)NCCN(c1nccnc1-c1nnn[n-]1)C1CC1)c1ccccc1 ZINC001574506715 950441882 /nfs/dbraw/zinc/44/18/82/950441882.db2.gz BZGYHQKBKBXQEN-AWEZNQCLSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@@H](CC(=O)NCCN(c1nccnc1-c1nn[n-]n1)C1CC1)c1ccccc1 ZINC001574506715 950441891 /nfs/dbraw/zinc/44/18/91/950441891.db2.gz BZGYHQKBKBXQEN-AWEZNQCLSA-N -1 1 392.467 1.936 20 0 GDADMM CC(C)CC1(C(=O)N2CCCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CCC1 ZINC001574165809 950453446 /nfs/dbraw/zinc/45/34/46/950453446.db2.gz JCJSAJVHPPBFOU-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)CC1(C(=O)N2CCCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CCC1 ZINC001574165809 950453459 /nfs/dbraw/zinc/45/34/59/950453459.db2.gz JCJSAJVHPPBFOU-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)CC1(C(=O)NC2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)CCC1 ZINC001574165862 950454683 /nfs/dbraw/zinc/45/46/83/950454683.db2.gz KVUSNLYTUNPGHF-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CC1(C(=O)NC[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CCC1 ZINC001574165808 950455962 /nfs/dbraw/zinc/45/59/62/950455962.db2.gz JBPOXWYDGWQDIS-CQSZACIVSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)CC1(C(=O)NC[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CCC1 ZINC001574165808 950455980 /nfs/dbraw/zinc/45/59/80/950455980.db2.gz JBPOXWYDGWQDIS-CQSZACIVSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001574507489 950459532 /nfs/dbraw/zinc/45/95/32/950459532.db2.gz JRLQJRLWORKCAA-AVGNSLFASA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001574507489 950459546 /nfs/dbraw/zinc/45/95/46/950459546.db2.gz JRLQJRLWORKCAA-AVGNSLFASA-N -1 1 382.428 1.750 20 0 GDADMM C[C@]1(C(=O)N[C@H]2CC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)CC2)CCOC1 ZINC001575605532 950468535 /nfs/dbraw/zinc/46/85/35/950468535.db2.gz KROJTYUKUDIKQC-LXIYXOSZSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@]1(C(=O)N[C@H]2CC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)CC2)CCOC1 ZINC001575605532 950468553 /nfs/dbraw/zinc/46/85/53/950468553.db2.gz KROJTYUKUDIKQC-LXIYXOSZSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc2c(s1)CCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574752479 950486096 /nfs/dbraw/zinc/48/60/96/950486096.db2.gz XLXYUPPDIIUGLC-JTQLQIEISA-N -1 1 384.469 1.780 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc2c(s1)CCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574752479 950486111 /nfs/dbraw/zinc/48/61/11/950486111.db2.gz XLXYUPPDIIUGLC-JTQLQIEISA-N -1 1 384.469 1.780 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574509229 950498654 /nfs/dbraw/zinc/49/86/54/950498654.db2.gz TZIINESESDMTHQ-AVGNSLFASA-N -1 1 382.428 1.172 20 0 GDADMM CC(C)(C)OCC(=O)N1CC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573867051 950517934 /nfs/dbraw/zinc/51/79/34/950517934.db2.gz OWJCUOVYRJFUGA-QMMMGPOBSA-N -1 1 385.881 1.805 20 0 GDADMM CC(C)(C)OCC(=O)N1CC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573867051 950517947 /nfs/dbraw/zinc/51/79/47/950517947.db2.gz OWJCUOVYRJFUGA-QMMMGPOBSA-N -1 1 385.881 1.805 20 0 GDADMM CC(C)(C)OCC(=O)N1CCCCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573867305 950526294 /nfs/dbraw/zinc/52/62/94/950526294.db2.gz UYOIYSRDOKHCRX-ZDUSSCGKSA-N -1 1 388.476 1.655 20 0 GDADMM CC(C)(C)OCC(=O)N1CCCCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573867305 950526306 /nfs/dbraw/zinc/52/63/06/950526306.db2.gz UYOIYSRDOKHCRX-ZDUSSCGKSA-N -1 1 388.476 1.655 20 0 GDADMM CC(C)c1cccc(C(=O)N(C)C[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001574754043 950558026 /nfs/dbraw/zinc/55/80/26/950558026.db2.gz WLNGBSQKORZXEW-LBPRGKRZSA-N -1 1 381.444 1.748 20 0 GDADMM CC(C)c1cccc(C(=O)N(C)C[C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001574754043 950558045 /nfs/dbraw/zinc/55/80/45/950558045.db2.gz WLNGBSQKORZXEW-LBPRGKRZSA-N -1 1 381.444 1.748 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C)c1ccco1 ZINC001574511384 950562054 /nfs/dbraw/zinc/56/20/54/950562054.db2.gz JJOFXCWHXDARGV-YRGRVCCFSA-N -1 1 382.428 1.384 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C)c1ccco1 ZINC001574511384 950562072 /nfs/dbraw/zinc/56/20/72/950562072.db2.gz JJOFXCWHXDARGV-YRGRVCCFSA-N -1 1 382.428 1.384 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCCC(F)(F)F ZINC001575917348 950563276 /nfs/dbraw/zinc/56/32/76/950563276.db2.gz WQSZCXLHBXACBO-ZJUUUORDSA-N -1 1 384.366 1.791 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCCC(F)(F)F ZINC001575917348 950563284 /nfs/dbraw/zinc/56/32/84/950563284.db2.gz WQSZCXLHBXACBO-ZJUUUORDSA-N -1 1 384.366 1.791 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2 ZINC001573869419 950565268 /nfs/dbraw/zinc/56/52/68/950565268.db2.gz PKDRSHYFDUYOKC-QWHCGFSZSA-N -1 1 386.460 1.311 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2 ZINC001573869419 950565285 /nfs/dbraw/zinc/56/52/85/950565285.db2.gz PKDRSHYFDUYOKC-QWHCGFSZSA-N -1 1 386.460 1.311 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575615586 950570901 /nfs/dbraw/zinc/57/09/01/950570901.db2.gz BXDKGXBALXXMJA-UHFFFAOYSA-N -1 1 384.488 1.458 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575615624 950572641 /nfs/dbraw/zinc/57/26/41/950572641.db2.gz DPCVROGSADRONY-LBPRGKRZSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccc(F)c(F)c1 ZINC001575918172 950586850 /nfs/dbraw/zinc/58/68/50/950586850.db2.gz AVTHYBSPYHIMLO-ZANVPECISA-N -1 1 386.366 1.650 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccc(F)c(F)c1 ZINC001575918172 950586866 /nfs/dbraw/zinc/58/68/66/950586866.db2.gz AVTHYBSPYHIMLO-ZANVPECISA-N -1 1 386.366 1.650 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccccn1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574758818 950623790 /nfs/dbraw/zinc/62/37/90/950623790.db2.gz IBYRMFIXCYQKNU-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccccn1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574758818 950623804 /nfs/dbraw/zinc/62/38/04/950623804.db2.gz IBYRMFIXCYQKNU-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccnc(C2CC2)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574759533 950639803 /nfs/dbraw/zinc/63/98/03/950639803.db2.gz NGLQZIBHFIWZPP-NSHDSACASA-N -1 1 379.428 1.502 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccnc(C2CC2)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574759533 950639818 /nfs/dbraw/zinc/63/98/18/950639818.db2.gz NGLQZIBHFIWZPP-NSHDSACASA-N -1 1 379.428 1.502 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccc(Cl)cn1 ZINC001575922454 950645845 /nfs/dbraw/zinc/64/58/45/950645845.db2.gz PPBFTIYYNMUCLV-MWLCHTKSSA-N -1 1 385.819 1.420 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccc(Cl)cn1 ZINC001575922454 950645854 /nfs/dbraw/zinc/64/58/54/950645854.db2.gz PPBFTIYYNMUCLV-MWLCHTKSSA-N -1 1 385.819 1.420 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cccn1C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574759955 950650013 /nfs/dbraw/zinc/65/00/13/950650013.db2.gz QPJNHBNRMZDECA-QMMMGPOBSA-N -1 1 380.865 1.888 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cccn1C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574759955 950650024 /nfs/dbraw/zinc/65/00/24/950650024.db2.gz QPJNHBNRMZDECA-QMMMGPOBSA-N -1 1 380.865 1.888 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)c[nH]1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575003165 950671336 /nfs/dbraw/zinc/67/13/36/950671336.db2.gz YLPKFBNNQPMGKW-ZCFIWIBFSA-N -1 1 384.828 1.922 20 0 GDADMM CC(C)CCC(=O)N[C@@H]1CC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@H]2C1 ZINC001574176103 950671724 /nfs/dbraw/zinc/67/17/24/950671724.db2.gz UHCMSCQCQFAASM-SOUVJXGZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](CN(C)C(=O)c1cn(C)cn1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574760589 950672429 /nfs/dbraw/zinc/67/24/29/950672429.db2.gz JORLISYKUKVJOA-SSDOTTSWSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccccc1C1CCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574760711 950677642 /nfs/dbraw/zinc/67/76/42/950677642.db2.gz YIWJXRJBLDDTML-ZDUSSCGKSA-N -1 1 392.467 1.919 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccsc1Cl)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574761626 950697499 /nfs/dbraw/zinc/69/74/99/950697499.db2.gz UITQUVWNWZHIBF-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccsc1Cl)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574761626 950697509 /nfs/dbraw/zinc/69/75/09/950697509.db2.gz UITQUVWNWZHIBF-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573878051 950698877 /nfs/dbraw/zinc/69/88/77/950698877.db2.gz IYTRNYFLJWZEKS-BFHYXJOUSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573878051 950698889 /nfs/dbraw/zinc/69/88/89/950698889.db2.gz IYTRNYFLJWZEKS-BFHYXJOUSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001573878058 950699164 /nfs/dbraw/zinc/69/91/64/950699164.db2.gz JEFHAGGOZJOMFC-XJFOESAGSA-N -1 1 382.472 1.234 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001573878058 950699181 /nfs/dbraw/zinc/69/91/81/950699181.db2.gz JEFHAGGOZJOMFC-XJFOESAGSA-N -1 1 382.472 1.234 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cccc2c1OCC2 ZINC001575926129 950699557 /nfs/dbraw/zinc/69/95/57/950699557.db2.gz IWDFIKHSOYGFRR-BXUZGUMPSA-N -1 1 392.423 1.307 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cccc2c1OCC2 ZINC001575926129 950699569 /nfs/dbraw/zinc/69/95/69/950699569.db2.gz IWDFIKHSOYGFRR-BXUZGUMPSA-N -1 1 392.423 1.307 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccc2c(c1)CCO2 ZINC001575926199 950700315 /nfs/dbraw/zinc/70/03/15/950700315.db2.gz WCYMMXQUPNUPEK-FZMZJTMJSA-N -1 1 392.423 1.307 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccc2c(c1)CCO2 ZINC001575926199 950700336 /nfs/dbraw/zinc/70/03/36/950700336.db2.gz WCYMMXQUPNUPEK-FZMZJTMJSA-N -1 1 392.423 1.307 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)COc1ccccc1 ZINC001575926421 950709368 /nfs/dbraw/zinc/70/93/68/950709368.db2.gz JWPFGTVFSXKPSN-OCCSQVGLSA-N -1 1 380.412 1.137 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)COc1ccccc1 ZINC001575926421 950709384 /nfs/dbraw/zinc/70/93/84/950709384.db2.gz JWPFGTVFSXKPSN-OCCSQVGLSA-N -1 1 380.412 1.137 20 0 GDADMM C[C@@H](CNC(=O)c1cc2n(c1)CCCC2)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575006042 950711724 /nfs/dbraw/zinc/71/17/24/950711724.db2.gz QZDHAPADGVGARF-GFCCVEGCSA-N -1 1 381.444 1.273 20 0 GDADMM C[C@@H](CNC(=O)c1cc2n(c1)CCCC2)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575006042 950711728 /nfs/dbraw/zinc/71/17/28/950711728.db2.gz QZDHAPADGVGARF-GFCCVEGCSA-N -1 1 381.444 1.273 20 0 GDADMM CC1(C)[C@H](NC(=O)CC2CC2)[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)[C@H]21 ZINC001575626456 950712405 /nfs/dbraw/zinc/71/24/05/950712405.db2.gz ZPABQARPNOFGEE-APHBMKBZSA-N -1 1 382.472 1.566 20 0 GDADMM CC(C)n1nccc1C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)[C@@H]1C ZINC001575926507 950714470 /nfs/dbraw/zinc/71/44/70/950714470.db2.gz XHABDHYFWODEFF-NWDGAFQWSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1nccc1C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)[C@@H]1C ZINC001575926507 950714487 /nfs/dbraw/zinc/71/44/87/950714487.db2.gz XHABDHYFWODEFF-NWDGAFQWSA-N -1 1 382.432 1.149 20 0 GDADMM C[C@@H](CNC(=O)c1cc2cc(F)ccc2o1)Nc1nccnc1-c1nnn[n-]1 ZINC001575006085 950715304 /nfs/dbraw/zinc/71/53/04/950715304.db2.gz RRHBUXWOJAVMBK-VIFPVBQESA-N -1 1 382.359 1.772 20 0 GDADMM C[C@@H](CNC(=O)c1cc2cc(F)ccc2o1)Nc1nccnc1-c1nn[n-]n1 ZINC001575006085 950715321 /nfs/dbraw/zinc/71/53/21/950715321.db2.gz RRHBUXWOJAVMBK-VIFPVBQESA-N -1 1 382.359 1.772 20 0 GDADMM CC1(C)[C@H](NC(=O)CC2CC2)[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)[C@@H]21 ZINC001575626460 950715442 /nfs/dbraw/zinc/71/54/42/950715442.db2.gz ZPABQARPNOFGEE-MAZHCROVSA-N -1 1 382.472 1.566 20 0 GDADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cccc2c1CCC2 ZINC001575926673 950717031 /nfs/dbraw/zinc/71/70/31/950717031.db2.gz YCDPIULLNXPKBV-MLGOLLRUSA-N -1 1 390.451 1.282 20 0 GDADMM CC(C)c1ncncc1C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574763510 950719142 /nfs/dbraw/zinc/71/91/42/950719142.db2.gz CSSVBEHARIONFO-NSHDSACASA-N -1 1 382.432 1.143 20 0 GDADMM CC(C)c1ncncc1C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574763510 950719153 /nfs/dbraw/zinc/71/91/53/950719153.db2.gz CSSVBEHARIONFO-NSHDSACASA-N -1 1 382.432 1.143 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cnn(C2CCC2)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574763486 950719523 /nfs/dbraw/zinc/71/95/23/950719523.db2.gz CAZLTQUJUDMUGQ-NSHDSACASA-N -1 1 382.432 1.151 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cnn(C2CCC2)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574763486 950719542 /nfs/dbraw/zinc/71/95/42/950719542.db2.gz CAZLTQUJUDMUGQ-NSHDSACASA-N -1 1 382.432 1.151 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576216242 950728827 /nfs/dbraw/zinc/72/88/27/950728827.db2.gz DEFGALAKKHDVAK-NXEZZACHSA-N -1 1 378.387 1.208 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576216242 950728846 /nfs/dbraw/zinc/72/88/46/950728846.db2.gz DEFGALAKKHDVAK-NXEZZACHSA-N -1 1 378.387 1.208 20 0 GDADMM CC1(C)CC(C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C23CCC3)C1 ZINC001575629349 950736139 /nfs/dbraw/zinc/73/61/39/950736139.db2.gz MQLWPVQLRBPZPW-KGLIPLIRSA-N -1 1 382.472 1.932 20 0 GDADMM CC1(C)CC(C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C23CCC3)C1 ZINC001575629349 950736152 /nfs/dbraw/zinc/73/61/52/950736152.db2.gz MQLWPVQLRBPZPW-KGLIPLIRSA-N -1 1 382.472 1.932 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576217068 950755509 /nfs/dbraw/zinc/75/55/09/950755509.db2.gz GSWDHVLJVFUDQR-UWVGGRQHSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576217068 950755529 /nfs/dbraw/zinc/75/55/29/950755529.db2.gz GSWDHVLJVFUDQR-UWVGGRQHSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576217355 950759245 /nfs/dbraw/zinc/75/92/45/950759245.db2.gz GYOPUCBQSVQPHP-MNOVXSKESA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576217355 950759259 /nfs/dbraw/zinc/75/92/59/950759259.db2.gz GYOPUCBQSVQPHP-MNOVXSKESA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ncc(Cl)s1)Nc1nccnc1-c1nnn[n-]1 ZINC001574765319 950780744 /nfs/dbraw/zinc/78/07/44/950780744.db2.gz HGVFNTUVIRBLNI-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ncc(Cl)s1)Nc1nccnc1-c1nn[n-]n1 ZINC001574765319 950780761 /nfs/dbraw/zinc/78/07/61/950780761.db2.gz HGVFNTUVIRBLNI-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM CC1(C)CC(CC(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CC2(C)C)C1 ZINC001575632129 950788053 /nfs/dbraw/zinc/78/80/53/950788053.db2.gz BFFGAMKONKPQCG-CQSZACIVSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)CC(CC(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CC2(C)C)C1 ZINC001575632129 950788073 /nfs/dbraw/zinc/78/80/73/950788073.db2.gz BFFGAMKONKPQCG-CQSZACIVSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](CN(C)C(=O)c1coc(C(F)F)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574765643 950797114 /nfs/dbraw/zinc/79/71/14/950797114.db2.gz IVNJNNPBZRBYCB-MRVPVSSYSA-N -1 1 378.343 1.760 20 0 GDADMM C[C@H](CN(C)C(=O)c1coc(C(F)F)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574765643 950797127 /nfs/dbraw/zinc/79/71/27/950797127.db2.gz IVNJNNPBZRBYCB-MRVPVSSYSA-N -1 1 378.343 1.760 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CCC2)CC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576220101 950825373 /nfs/dbraw/zinc/82/53/73/950825373.db2.gz QJJNOTXGBJLECC-WDEREUQCSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CCC2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576220101 950825395 /nfs/dbraw/zinc/82/53/95/950825395.db2.gz QJJNOTXGBJLECC-WDEREUQCSA-N -1 1 392.414 1.741 20 0 GDADMM CC(C)CCCC(=O)N1CCC[C@@](CO)(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574187426 950831983 /nfs/dbraw/zinc/83/19/83/950831983.db2.gz PJFFBIIBRCEKBR-GOSISDBHSA-N -1 1 388.476 1.248 20 0 GDADMM CC(C)CCCC(=O)N1CCC[C@@](CO)(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574187426 950832012 /nfs/dbraw/zinc/83/20/12/950832012.db2.gz PJFFBIIBRCEKBR-GOSISDBHSA-N -1 1 388.476 1.248 20 0 GDADMM CC1(C)C[C@H](NC(=O)[C@H]2CC23CC3)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575638463 950835556 /nfs/dbraw/zinc/83/55/56/950835556.db2.gz DMZAPHWRBZQDBF-CHWSQXEVSA-N -1 1 382.472 1.568 20 0 GDADMM CC1(C)C[C@H](NC(=O)[C@H]2CC23CC3)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575638463 950835577 /nfs/dbraw/zinc/83/55/77/950835577.db2.gz DMZAPHWRBZQDBF-CHWSQXEVSA-N -1 1 382.472 1.568 20 0 GDADMM CC(C)(C)c1nc[nH]c1C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573885879 950840618 /nfs/dbraw/zinc/84/06/18/950840618.db2.gz WDPPBNAXHOHIFT-MGCOHNPYSA-N -1 1 382.432 1.050 20 0 GDADMM CC(C)(C)c1nc[nH]c1C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573885879 950840640 /nfs/dbraw/zinc/84/06/40/950840640.db2.gz WDPPBNAXHOHIFT-MGCOHNPYSA-N -1 1 382.432 1.050 20 0 GDADMM CC(C)c1ncsc1C(=O)N(C)C[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574767399 950845288 /nfs/dbraw/zinc/84/52/88/950845288.db2.gz NPWXXKXWVKCMDL-JTQLQIEISA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)c1ncsc1C(=O)N(C)C[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574767399 950845309 /nfs/dbraw/zinc/84/53/09/950845309.db2.gz NPWXXKXWVKCMDL-JTQLQIEISA-N -1 1 387.473 1.809 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cc2c([nH]1)CCC2 ZINC001575934433 950858913 /nfs/dbraw/zinc/85/89/13/950858913.db2.gz RGUNVWBNPZYOED-ZYHUDNBSSA-N -1 1 379.428 1.189 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc2c([nH]1)CCC2 ZINC001575934433 950858928 /nfs/dbraw/zinc/85/89/28/950858928.db2.gz RGUNVWBNPZYOED-ZYHUDNBSSA-N -1 1 379.428 1.189 20 0 GDADMM CC1(C)C[C@H](NC(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)CCS1(=O)=O ZINC001575639907 950879700 /nfs/dbraw/zinc/87/97/00/950879700.db2.gz DASRCZQBZUKMFI-SNVBAGLBSA-N -1 1 388.453 1.434 20 0 GDADMM CC(C)(CC(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)CC(F)F ZINC001573893391 950880053 /nfs/dbraw/zinc/88/00/53/950880053.db2.gz DATIJKFNXYIHAX-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)(CC(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)CC(F)F ZINC001573893391 950880065 /nfs/dbraw/zinc/88/00/65/950880065.db2.gz DATIJKFNXYIHAX-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)COc1ccccc1 ZINC001575935457 950884690 /nfs/dbraw/zinc/88/46/90/950884690.db2.gz WPXYENXRZBYIPD-GXTWGEPZSA-N -1 1 380.412 1.137 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)COc1ccccc1 ZINC001575935457 950884711 /nfs/dbraw/zinc/88/47/11/950884711.db2.gz WPXYENXRZBYIPD-GXTWGEPZSA-N -1 1 380.412 1.137 20 0 GDADMM CC1(C)C[C@H](NC(=O)C2=CCCC2)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575640101 950886994 /nfs/dbraw/zinc/88/69/94/950886994.db2.gz XBLFRFIPDBMJSF-CQSZACIVSA-N -1 1 382.472 1.878 20 0 GDADMM CC1(C)C[C@H](NC(=O)C2=CCCC2)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575640101 950887001 /nfs/dbraw/zinc/88/70/01/950887001.db2.gz XBLFRFIPDBMJSF-CQSZACIVSA-N -1 1 382.472 1.878 20 0 GDADMM CC(C)(CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573893618 950895642 /nfs/dbraw/zinc/89/56/42/950895642.db2.gz NOJKKXPVHKMSOS-OKILXGFUSA-N -1 1 382.472 1.663 20 0 GDADMM CC(C)(CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573893618 950895659 /nfs/dbraw/zinc/89/56/59/950895659.db2.gz NOJKKXPVHKMSOS-OKILXGFUSA-N -1 1 382.472 1.663 20 0 GDADMM CC1(C)C[C@@H](NC(=O)C2CCCC2)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575640547 950896966 /nfs/dbraw/zinc/89/69/66/950896966.db2.gz IKTNPHCUJCNTFO-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)C[C@@H](NC(=O)C2CCCC2)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575640547 950896981 /nfs/dbraw/zinc/89/69/81/950896981.db2.gz IKTNPHCUJCNTFO-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)C[C@@H](NC(=O)c2cnco2)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575640727 950902368 /nfs/dbraw/zinc/90/23/68/950902368.db2.gz KDFBRMFIEIDKJQ-NSHDSACASA-N -1 1 383.416 1.070 20 0 GDADMM CC1(C)C[C@@H](NC(=O)c2cnco2)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575640727 950902381 /nfs/dbraw/zinc/90/23/81/950902381.db2.gz KDFBRMFIEIDKJQ-NSHDSACASA-N -1 1 383.416 1.070 20 0 GDADMM CC1(C)C[C@@H](NC(=O)c2ccco2)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575640683 950902410 /nfs/dbraw/zinc/90/24/10/950902410.db2.gz JQBJJBPRJHAMCD-LBPRGKRZSA-N -1 1 382.428 1.675 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cnc(C2CC2)o1 ZINC001575935938 950902532 /nfs/dbraw/zinc/90/25/32/950902532.db2.gz CGHQFDHYLFRGBI-KOLCDFICSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cnc(C2CC2)o1 ZINC001575935938 950902549 /nfs/dbraw/zinc/90/25/49/950902549.db2.gz CGHQFDHYLFRGBI-KOLCDFICSA-N -1 1 381.400 1.237 20 0 GDADMM CC(C)CCCC(=O)NC[C@@H](O)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574189940 950903272 /nfs/dbraw/zinc/90/32/72/950903272.db2.gz TUFWNOVEABHVES-SECBINFHSA-N -1 1 387.897 1.692 20 0 GDADMM CC1(C)C[C@H](NC(=O)CC2CCC2)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575640838 950903592 /nfs/dbraw/zinc/90/35/92/950903592.db2.gz LJOJTCIQVMHOPJ-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)C[C@H](NC(=O)CC2CCC2)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575640838 950903614 /nfs/dbraw/zinc/90/36/14/950903614.db2.gz LJOJTCIQVMHOPJ-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)C[C@@H](NC(=O)c2cocn2)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575642021 950931781 /nfs/dbraw/zinc/93/17/81/950931781.db2.gz SVBDABRRGVHICJ-NSHDSACASA-N -1 1 383.416 1.070 20 0 GDADMM CC1(C)C[C@@H](NC(=O)c2cocn2)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575642021 950931800 /nfs/dbraw/zinc/93/18/00/950931800.db2.gz SVBDABRRGVHICJ-NSHDSACASA-N -1 1 383.416 1.070 20 0 GDADMM C[C@H]1CN(C(=O)C2CCC(F)(F)CC2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576228399 950940630 /nfs/dbraw/zinc/94/06/30/950940630.db2.gz JXFMWNAELFUNRJ-GXFFZTMASA-N -1 1 392.414 1.741 20 0 GDADMM C[C@H]1CN(C(=O)C2CCC(F)(F)CC2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576228399 950940650 /nfs/dbraw/zinc/94/06/50/950940650.db2.gz JXFMWNAELFUNRJ-GXFFZTMASA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H]1CN(C(=O)C=Cc2ccco2)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576228865 950955988 /nfs/dbraw/zinc/95/59/88/950955988.db2.gz LKWPADGWLQZTHN-DSOSXZHWSA-N -1 1 380.412 1.612 20 0 GDADMM C[C@@H]1CN(C(=O)C=Cc2ccco2)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576228865 950956008 /nfs/dbraw/zinc/95/60/08/950956008.db2.gz LKWPADGWLQZTHN-DSOSXZHWSA-N -1 1 380.412 1.612 20 0 GDADMM C[C@@H]1[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCN1C(=O)c1cnon1 ZINC001575938319 950976675 /nfs/dbraw/zinc/97/66/75/950976675.db2.gz KGMCEZAEEKYLFU-PHDIDXHHSA-N -1 1 381.809 1.075 20 0 GDADMM C[C@@H]1[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCN1C(=O)c1cnon1 ZINC001575938319 950976688 /nfs/dbraw/zinc/97/66/88/950976688.db2.gz KGMCEZAEEKYLFU-PHDIDXHHSA-N -1 1 381.809 1.075 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)cc1F)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575021563 951064049 /nfs/dbraw/zinc/06/40/49/951064049.db2.gz DBZPOWSJGKBCME-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C2CC2)cc1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575023257 951076767 /nfs/dbraw/zinc/07/67/67/951076767.db2.gz LOPITPLWHKODLF-LBPRGKRZSA-N -1 1 378.440 1.789 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)s1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575023979 951090372 /nfs/dbraw/zinc/09/03/72/951090372.db2.gz UKVPQRIHECTZEG-QMMMGPOBSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)s1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575023979 951090386 /nfs/dbraw/zinc/09/03/86/951090386.db2.gz UKVPQRIHECTZEG-QMMMGPOBSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)cc1Cl)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575024426 951105098 /nfs/dbraw/zinc/10/50/98/951105098.db2.gz DMXQILIFYXCRJQ-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)cc1Cl)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575024426 951105113 /nfs/dbraw/zinc/10/51/13/951105113.db2.gz DMXQILIFYXCRJQ-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)C[C@H](C)O2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575025291 951128058 /nfs/dbraw/zinc/12/80/58/951128058.db2.gz XBYNANZMINUVNF-QWRGUYRKSA-N -1 1 380.412 1.211 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)C[C@H](C)O2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575025291 951128066 /nfs/dbraw/zinc/12/80/66/951128066.db2.gz XBYNANZMINUVNF-QWRGUYRKSA-N -1 1 380.412 1.211 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(C(F)(F)F)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575028396 951172152 /nfs/dbraw/zinc/17/21/52/951172152.db2.gz WGLFFVXZIHVCSU-VIFPVBQESA-N -1 1 392.345 1.328 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2c1O[C@@H](C)C2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575030041 951191990 /nfs/dbraw/zinc/19/19/90/951191990.db2.gz ZINXQMPJNLRSCC-QWRGUYRKSA-N -1 1 380.412 1.211 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2c1O[C@@H](C)C2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575030041 951192001 /nfs/dbraw/zinc/19/20/01/951192001.db2.gz ZINXQMPJNLRSCC-QWRGUYRKSA-N -1 1 380.412 1.211 20 0 GDADMM C[C@H](CNC(=O)c1ccncn1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001575033906 951231668 /nfs/dbraw/zinc/23/16/68/951231668.db2.gz DSYORNARIUBASU-SSDOTTSWSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@H](CNC(=O)c1ccncn1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001575033906 951231675 /nfs/dbraw/zinc/23/16/75/951231675.db2.gz DSYORNARIUBASU-SSDOTTSWSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@H](CNC(=O)c1ccnnc1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575034890 951261793 /nfs/dbraw/zinc/26/17/93/951261793.db2.gz QBOSQMFREFPQDN-SSDOTTSWSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@H](CNC(=O)c1ccnnc1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575034890 951261808 /nfs/dbraw/zinc/26/18/08/951261808.db2.gz QBOSQMFREFPQDN-SSDOTTSWSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1ccn(C)c1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575035807 951283465 /nfs/dbraw/zinc/28/34/65/951283465.db2.gz LZAZRJYZQXDDPX-QMMMGPOBSA-N -1 1 380.865 1.793 20 0 GDADMM C[C@@H](CNC(=O)c1cnc(CC2CC2)s1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575043038 951379768 /nfs/dbraw/zinc/37/97/68/951379768.db2.gz FRRNSUAGHSYDGB-VIFPVBQESA-N -1 1 385.457 1.296 20 0 GDADMM C[C@@H](CNC(=O)c1cnc(CC2CC2)s1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575043038 951379779 /nfs/dbraw/zinc/37/97/79/951379779.db2.gz FRRNSUAGHSYDGB-VIFPVBQESA-N -1 1 385.457 1.296 20 0 GDADMM C[C@@H](CNC(=O)c1cn(C)c2ccccc12)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575043060 951381422 /nfs/dbraw/zinc/38/14/22/951381422.db2.gz NVESKPPIINKUGD-NSHDSACASA-N -1 1 377.412 1.379 20 0 GDADMM C[C@@H](CNC(=O)c1cn(C)c2ccccc12)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575043060 951381432 /nfs/dbraw/zinc/38/14/32/951381432.db2.gz NVESKPPIINKUGD-NSHDSACASA-N -1 1 377.412 1.379 20 0 GDADMM C[C@H](CNC(=O)c1cnccn1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575045776 951433434 /nfs/dbraw/zinc/43/34/34/951433434.db2.gz HLBFHPPMOMUWKQ-SSDOTTSWSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@H](CNC(=O)c1cncn1C)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575047141 951451784 /nfs/dbraw/zinc/45/17/84/951451784.db2.gz XQUVOGPASDOEGQ-SSDOTTSWSA-N -1 1 381.853 1.188 20 0 GDADMM C[C@@H](CNC(=O)c1cnns1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575053297 951476535 /nfs/dbraw/zinc/47/65/35/951476535.db2.gz ATKSYTFKKYQHNN-YFKPBYRVSA-N -1 1 385.866 1.306 20 0 GDADMM C[C@@H](CNC(=O)c1cnns1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575053297 951476546 /nfs/dbraw/zinc/47/65/46/951476546.db2.gz ATKSYTFKKYQHNN-YFKPBYRVSA-N -1 1 385.866 1.306 20 0 GDADMM C[C@H](CNC(=O)c1csc(=O)[nH]1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575056361 951517852 /nfs/dbraw/zinc/51/78/52/951517852.db2.gz ICOYPLNIGLSTPK-SCSAIBSYSA-N -1 1 386.850 1.369 20 0 GDADMM C[C@@H](CNC(=O)c1csc(C(C)(C)C)n1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575057913 951533559 /nfs/dbraw/zinc/53/35/59/951533559.db2.gz SKWKDJNHLUHEEM-VIFPVBQESA-N -1 1 387.473 1.063 20 0 GDADMM C[C@H](CNC(=O)c1ocnc1-c1ccccc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575065391 951585204 /nfs/dbraw/zinc/58/52/04/951585204.db2.gz GQFGROIBVQWYOB-LLVKDONJSA-N -1 1 391.395 1.542 20 0 GDADMM C[C@H](CNC(=O)c1ocnc1-c1ccccc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575065391 951585221 /nfs/dbraw/zinc/58/52/21/951585221.db2.gz GQFGROIBVQWYOB-LLVKDONJSA-N -1 1 391.395 1.542 20 0 GDADMM C[C@@H](CNC(=O)c1scnc1Cl)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575069594 951645411 /nfs/dbraw/zinc/64/54/11/951645411.db2.gz KYJZTDLEWVKDQT-ZETCQYMHSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@@H](CNC(=O)c1scnc1Cl)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575069594 951645414 /nfs/dbraw/zinc/64/54/14/951645414.db2.gz KYJZTDLEWVKDQT-ZETCQYMHSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@H](CNC(=O)c1scnc1C1CC1)CNc1nccnc1-c1nnn[n-]1 ZINC001575071312 951659381 /nfs/dbraw/zinc/65/93/81/951659381.db2.gz ZLHCPXRPCUEMIA-VIFPVBQESA-N -1 1 385.457 1.469 20 0 GDADMM C[C@H](CNC(=O)c1scnc1C1CC1)CNc1nccnc1-c1nn[n-]n1 ZINC001575071312 951659387 /nfs/dbraw/zinc/65/93/87/951659387.db2.gz ZLHCPXRPCUEMIA-VIFPVBQESA-N -1 1 385.457 1.469 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001575132147 952090938 /nfs/dbraw/zinc/09/09/38/952090938.db2.gz CYCNGZHQXVBWAG-KWCYVHTRSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001575132147 952090950 /nfs/dbraw/zinc/09/09/50/952090950.db2.gz CYCNGZHQXVBWAG-KWCYVHTRSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H]1CCCCC1(F)F ZINC001575132587 952095129 /nfs/dbraw/zinc/09/51/29/952095129.db2.gz HAELVLFUZLKDNG-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H]1CCCCC1(F)F ZINC001575132587 952095138 /nfs/dbraw/zinc/09/51/38/952095138.db2.gz HAELVLFUZLKDNG-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)Cc1ccc(F)c(F)c1 ZINC001575133525 952104392 /nfs/dbraw/zinc/10/43/92/952104392.db2.gz KPSDCKYPELRQLX-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)Cc1ccc(F)c(F)c1 ZINC001575133525 952104395 /nfs/dbraw/zinc/10/43/95/952104395.db2.gz KPSDCKYPELRQLX-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cnc(C2CC2)s1 ZINC001575136823 952129109 /nfs/dbraw/zinc/12/91/09/952129109.db2.gz PXKUZFOUJYYDDO-VIFPVBQESA-N -1 1 385.457 1.563 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cnc(C2CC2)s1 ZINC001575136823 952129113 /nfs/dbraw/zinc/12/91/13/952129113.db2.gz PXKUZFOUJYYDDO-VIFPVBQESA-N -1 1 385.457 1.563 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCc2ccccc2C1 ZINC001575142227 952146954 /nfs/dbraw/zinc/14/69/54/952146954.db2.gz KMBAYNORZBQIDG-BBRMVZONSA-N -1 1 392.467 1.143 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc(C(F)F)cc1 ZINC001575143875 952159371 /nfs/dbraw/zinc/15/93/71/952159371.db2.gz DIJCPRJCGQRUFY-JTQLQIEISA-N -1 1 388.382 1.589 20 0 GDADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)Cc1ccsc1)C1CC1 ZINC001575144193 952162760 /nfs/dbraw/zinc/16/27/60/952162760.db2.gz UQQDWBFZMYDBGH-QGZVFWFLSA-N -1 1 384.469 1.080 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(F)ccc1Cl ZINC001575144826 952171989 /nfs/dbraw/zinc/17/19/89/952171989.db2.gz MLPGOIKGVUIHFO-SECBINFHSA-N -1 1 390.810 1.444 20 0 GDADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)[C@@H]1Cc2ccccc21)C1CC1 ZINC001575145595 952187466 /nfs/dbraw/zinc/18/74/66/952187466.db2.gz ATENEHOOWDMUCO-FOIQADDNSA-N -1 1 390.451 1.693 20 0 GDADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)[C@@H]1Cc2ccccc21)C1CC1 ZINC001575145595 952187468 /nfs/dbraw/zinc/18/74/68/952187468.db2.gz ATENEHOOWDMUCO-FOIQADDNSA-N -1 1 390.451 1.693 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)CCOc1ccccc1 ZINC001575153200 952206228 /nfs/dbraw/zinc/20/62/28/952206228.db2.gz FEDDZTGFXRRRMH-CYBMUJFWSA-N -1 1 382.428 1.385 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)CCOc1ccccc1 ZINC001575153200 952206231 /nfs/dbraw/zinc/20/62/31/952206231.db2.gz FEDDZTGFXRRRMH-CYBMUJFWSA-N -1 1 382.428 1.385 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)Cc1ccc2c(c1)CCC2 ZINC001575154103 952216239 /nfs/dbraw/zinc/21/62/39/952216239.db2.gz NSPAQIFQFDYXBN-CYBMUJFWSA-N -1 1 392.467 1.647 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)Cc1ccc2c(c1)CCC2 ZINC001575154103 952216245 /nfs/dbraw/zinc/21/62/45/952216245.db2.gz NSPAQIFQFDYXBN-CYBMUJFWSA-N -1 1 392.467 1.647 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cc2c(o1)CCCC2 ZINC001575154635 952227990 /nfs/dbraw/zinc/22/79/90/952227990.db2.gz GOJCABDYOBSVBO-LLVKDONJSA-N -1 1 382.428 1.701 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cc2c(o1)CCCC2 ZINC001575154635 952227996 /nfs/dbraw/zinc/22/79/96/952227996.db2.gz GOJCABDYOBSVBO-LLVKDONJSA-N -1 1 382.428 1.701 20 0 GDADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)C1C=CC=CC=C1)C1CC1 ZINC001575155532 952240745 /nfs/dbraw/zinc/24/07/45/952240745.db2.gz MMZXJDKFGIXCOP-LJQANCHMSA-N -1 1 378.440 1.652 20 0 GDADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)C1C=CC=CC=C1)C1CC1 ZINC001575155532 952240753 /nfs/dbraw/zinc/24/07/53/952240753.db2.gz MMZXJDKFGIXCOP-LJQANCHMSA-N -1 1 378.440 1.652 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1ccc2c(c1)CCO2 ZINC001575156110 952248172 /nfs/dbraw/zinc/24/81/72/952248172.db2.gz CKZSXJCUAYUFKP-NSHDSACASA-N -1 1 380.412 1.164 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc2c(c1)CCO2 ZINC001575156110 952248177 /nfs/dbraw/zinc/24/81/77/952248177.db2.gz CKZSXJCUAYUFKP-NSHDSACASA-N -1 1 380.412 1.164 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1nccc2cccnc21 ZINC001575156143 952249376 /nfs/dbraw/zinc/24/93/76/952249376.db2.gz CTTMQPLMVJUMFC-LLVKDONJSA-N -1 1 390.411 1.173 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1nccc2cccnc21 ZINC001575156143 952249383 /nfs/dbraw/zinc/24/93/83/952249383.db2.gz CTTMQPLMVJUMFC-LLVKDONJSA-N -1 1 390.411 1.173 20 0 GDADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)Cc1cncs1)C1CC1 ZINC001575156550 952253047 /nfs/dbraw/zinc/25/30/47/952253047.db2.gz UHFBWLUADCSDOG-MRXNPFEDSA-N -1 1 385.457 1.053 20 0 GDADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)Cc1cncs1)C1CC1 ZINC001575156550 952253051 /nfs/dbraw/zinc/25/30/51/952253051.db2.gz UHFBWLUADCSDOG-MRXNPFEDSA-N -1 1 385.457 1.053 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1ccc(C(F)F)o1 ZINC001575156609 952254459 /nfs/dbraw/zinc/25/44/59/952254459.db2.gz GORIQSFUHKLVFZ-MRVPVSSYSA-N -1 1 378.343 1.760 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc(C(F)F)o1 ZINC001575156609 952254464 /nfs/dbraw/zinc/25/44/64/952254464.db2.gz GORIQSFUHKLVFZ-MRVPVSSYSA-N -1 1 378.343 1.760 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CCc1ccccc1F ZINC001575159065 952276614 /nfs/dbraw/zinc/27/66/14/952276614.db2.gz YMYYVCHHIXKVNK-LBPRGKRZSA-N -1 1 384.419 1.687 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CCc1ccccc1F ZINC001575159065 952276618 /nfs/dbraw/zinc/27/66/18/952276618.db2.gz YMYYVCHHIXKVNK-LBPRGKRZSA-N -1 1 384.419 1.687 20 0 GDADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)C[C@@H]1CCCO1 ZINC001575165325 952305773 /nfs/dbraw/zinc/30/57/73/952305773.db2.gz NJZRSRNSMKZPOL-BDAKNGLRSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)[C@]1(F)CCOC1 ZINC001575166028 952320137 /nfs/dbraw/zinc/32/01/37/952320137.db2.gz SCRURXOLPVSODE-UHLUBPPHSA-N -1 1 389.844 1.364 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)[C@]1(F)CCOC1 ZINC001575166028 952320138 /nfs/dbraw/zinc/32/01/38/952320138.db2.gz SCRURXOLPVSODE-UHLUBPPHSA-N -1 1 389.844 1.364 20 0 GDADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)c1cnccn1 ZINC001575166705 952329082 /nfs/dbraw/zinc/32/90/82/952329082.db2.gz XNKCDROWYWALNM-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)C1(C(F)(F)F)CCC1 ZINC001575173795 952355582 /nfs/dbraw/zinc/35/55/82/952355582.db2.gz ABZFDIDTDIEESC-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)C1(C(F)(F)F)CCC1 ZINC001575173795 952355589 /nfs/dbraw/zinc/35/55/89/952355589.db2.gz ABZFDIDTDIEESC-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)[C@@H]1CCC(F)(F)C1)C1CC1 ZINC001575174083 952363469 /nfs/dbraw/zinc/36/34/69/952363469.db2.gz GRYSVRZXTPAUHV-QLJPJBMISA-N -1 1 392.414 1.789 20 0 GDADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)[C@@H]1CCC(F)(F)C1)C1CC1 ZINC001575174083 952363475 /nfs/dbraw/zinc/36/34/75/952363475.db2.gz GRYSVRZXTPAUHV-QLJPJBMISA-N -1 1 392.414 1.789 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ccnn1C1CCC1 ZINC001575174603 952376268 /nfs/dbraw/zinc/37/62/68/952376268.db2.gz AJBCUEPLTSABJW-NSHDSACASA-N -1 1 382.432 1.151 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ccnn1C1CCC1 ZINC001575174603 952376273 /nfs/dbraw/zinc/37/62/73/952376273.db2.gz AJBCUEPLTSABJW-NSHDSACASA-N -1 1 382.432 1.151 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)Cc1[nH]nc2ccccc21 ZINC001575176390 952393291 /nfs/dbraw/zinc/39/32/91/952393291.db2.gz DENQYTAETCRQQP-LLVKDONJSA-N -1 1 392.427 1.035 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)Cc1[nH]nc2ccccc21 ZINC001575176390 952393299 /nfs/dbraw/zinc/39/32/99/952393299.db2.gz DENQYTAETCRQQP-LLVKDONJSA-N -1 1 392.427 1.035 20 0 GDADMM C[C@](CO)(NC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1)c1cccc(O)c1 ZINC001575176471 952394701 /nfs/dbraw/zinc/39/47/01/952394701.db2.gz HMTLQLLLCHHFQI-CQSZACIVSA-N -1 1 395.832 1.711 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)[C@]12C[C@H]1COC2 ZINC001575178871 952409177 /nfs/dbraw/zinc/40/91/77/952409177.db2.gz OKTCNOFGLRYTAH-FZVNPBSJSA-N -1 1 383.865 1.272 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)[C@]12C[C@H]1COC2 ZINC001575178871 952409178 /nfs/dbraw/zinc/40/91/78/952409178.db2.gz OKTCNOFGLRYTAH-FZVNPBSJSA-N -1 1 383.865 1.272 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ocnc1C(F)F ZINC001575180667 952419027 /nfs/dbraw/zinc/41/90/27/952419027.db2.gz WPUSQSWCPLJUGG-ZETCQYMHSA-N -1 1 379.331 1.155 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ocnc1C(F)F ZINC001575180667 952419032 /nfs/dbraw/zinc/41/90/32/952419032.db2.gz WPUSQSWCPLJUGG-ZETCQYMHSA-N -1 1 379.331 1.155 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1nc(Cl)cs1 ZINC001575181137 952422033 /nfs/dbraw/zinc/42/20/33/952422033.db2.gz ZJHJTTSHTYSSGK-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1nc(Cl)cs1 ZINC001575181137 952422037 /nfs/dbraw/zinc/42/20/37/952422037.db2.gz ZJHJTTSHTYSSGK-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](Cc1ccc(F)cc1)C(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575187177 952437279 /nfs/dbraw/zinc/43/72/79/952437279.db2.gz AGBHOIMUZYIMJZ-LBPRGKRZSA-N -1 1 384.419 1.227 20 0 GDADMM C[C@@H](Cc1ccc(F)cc1)C(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575187177 952437283 /nfs/dbraw/zinc/43/72/83/952437283.db2.gz AGBHOIMUZYIMJZ-LBPRGKRZSA-N -1 1 384.419 1.227 20 0 GDADMM COc1ccc2c(c1)CN(S(=O)(=O)c1ccc(F)c(-c3nn[n-]n3)c1)C2 ZINC001571114504 952455635 /nfs/dbraw/zinc/45/56/35/952455635.db2.gz JKRMZNZDZSCUNJ-UHFFFAOYSA-N -1 1 375.385 1.719 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H](C)Cc1ccc(F)cc1 ZINC001575189842 952460640 /nfs/dbraw/zinc/46/06/40/952460640.db2.gz QZIUMYUWTDNJOK-VXGBXAGGSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)Cc1ccc(F)cc1 ZINC001575189842 952460644 /nfs/dbraw/zinc/46/06/44/952460644.db2.gz QZIUMYUWTDNJOK-VXGBXAGGSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@]1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575195861 952472619 /nfs/dbraw/zinc/47/26/19/952472619.db2.gz CGKKJDFQUDIVJQ-KPZWWZAWSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575196584 952475664 /nfs/dbraw/zinc/47/56/64/952475664.db2.gz HGOCFDXLRIZXTL-QWHCGFSZSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575196584 952475666 /nfs/dbraw/zinc/47/56/66/952475666.db2.gz HGOCFDXLRIZXTL-QWHCGFSZSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575197230 952480111 /nfs/dbraw/zinc/48/01/11/952480111.db2.gz QOXXSGWOYITBME-OLZOCXBDSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575197230 952480116 /nfs/dbraw/zinc/48/01/16/952480116.db2.gz QOXXSGWOYITBME-OLZOCXBDSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575197632 952485406 /nfs/dbraw/zinc/48/54/06/952485406.db2.gz YBPAFFWQHUCMCB-OLZOCXBDSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575197632 952485410 /nfs/dbraw/zinc/48/54/10/952485410.db2.gz YBPAFFWQHUCMCB-OLZOCXBDSA-N -1 1 382.428 1.214 20 0 GDADMM Cc1ccc(C(=O)N2C[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]3C2)cc1 ZINC001571119532 952492480 /nfs/dbraw/zinc/49/24/80/952492480.db2.gz CMVGGDXELVYKQM-GASCZTMLSA-N -1 1 376.424 1.174 20 0 GDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@@H]1COc2ccc(Br)cc21 ZINC001571119920 952496632 /nfs/dbraw/zinc/49/66/32/952496632.db2.gz HARUBMSUHCWXAI-SECBINFHSA-N -1 1 376.174 1.467 20 0 GDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@@H]1COc2ccc(Br)cc21 ZINC001571119920 952496635 /nfs/dbraw/zinc/49/66/35/952496635.db2.gz HARUBMSUHCWXAI-SECBINFHSA-N -1 1 376.174 1.467 20 0 GDADMM O=C(N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccc(C2CC2)cc1 ZINC001571119902 952497712 /nfs/dbraw/zinc/49/77/12/952497712.db2.gz HHCDMFBXIHMVMU-HNNXBMFYSA-N -1 1 376.424 1.543 20 0 GDADMM O=C(N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccc(C2CC2)cc1 ZINC001571119902 952497717 /nfs/dbraw/zinc/49/77/17/952497717.db2.gz HHCDMFBXIHMVMU-HNNXBMFYSA-N -1 1 376.424 1.543 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)n1 ZINC001571120461 952504122 /nfs/dbraw/zinc/50/41/22/952504122.db2.gz LTXRQZGGPUPXMR-UHFFFAOYSA-N -1 1 375.776 1.206 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)n1 ZINC001571120461 952504129 /nfs/dbraw/zinc/50/41/29/952504129.db2.gz LTXRQZGGPUPXMR-UHFFFAOYSA-N -1 1 375.776 1.206 20 0 GDADMM Cc1nsc(NCC2CC(NC(=O)c3cncs3)C2)c1-c1nn[n-]n1 ZINC001571121752 952522421 /nfs/dbraw/zinc/52/24/21/952522421.db2.gz CVGAWTRIWGATSE-UHFFFAOYSA-N -1 1 376.471 1.709 20 0 GDADMM CC[C@H](SC)C(=O)N1CCC(C)(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571122259 952523334 /nfs/dbraw/zinc/52/33/34/952523334.db2.gz HXPFGJNJSSRDER-LBPRGKRZSA-N -1 1 376.490 1.591 20 0 GDADMM CC[C@H](SC)C(=O)N1CCC(C)(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571122259 952523338 /nfs/dbraw/zinc/52/33/38/952523338.db2.gz HXPFGJNJSSRDER-LBPRGKRZSA-N -1 1 376.490 1.591 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccc(Cl)s1 ZINC001571122307 952525302 /nfs/dbraw/zinc/52/53/02/952525302.db2.gz IMEKNVCIOINQND-ZKCHVHJHSA-N -1 1 376.833 1.745 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccc(Cl)s1 ZINC001571122307 952525307 /nfs/dbraw/zinc/52/53/07/952525307.db2.gz IMEKNVCIOINQND-ZKCHVHJHSA-N -1 1 376.833 1.745 20 0 GDADMM CC[C@@H](SC)C(=O)N1CC[C@@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571123052 952528128 /nfs/dbraw/zinc/52/81/28/952528128.db2.gz MRJKGEVOKMZTFK-DGCLKSJQSA-N -1 1 376.490 1.449 20 0 GDADMM CC[C@@H](SC)C(=O)N1CC[C@@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571123052 952528136 /nfs/dbraw/zinc/52/81/36/952528136.db2.gz MRJKGEVOKMZTFK-DGCLKSJQSA-N -1 1 376.490 1.449 20 0 GDADMM CS[C@H](C)C(=O)N1CCCC[C@@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001571123351 952529716 /nfs/dbraw/zinc/52/97/16/952529716.db2.gz QJXPFCYIRDVIPS-VXGBXAGGSA-N -1 1 376.490 1.226 20 0 GDADMM CS[C@H](C)C(=O)N1CCCC[C@@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001571123351 952529719 /nfs/dbraw/zinc/52/97/19/952529719.db2.gz QJXPFCYIRDVIPS-VXGBXAGGSA-N -1 1 376.490 1.226 20 0 GDADMM C[C@@H](Cn1cccn1)NC(=O)Nc1ccc(Br)c(-c2nnn[n-]2)n1 ZINC001575207572 952535188 /nfs/dbraw/zinc/53/51/88/952535188.db2.gz RHJYMVUCYOXLRL-QMMMGPOBSA-N -1 1 392.221 1.431 20 0 GDADMM C[C@@H](Cn1cccn1)NC(=O)Nc1ccc(Br)c(-c2nn[n-]n2)n1 ZINC001575207572 952535192 /nfs/dbraw/zinc/53/51/92/952535192.db2.gz RHJYMVUCYOXLRL-QMMMGPOBSA-N -1 1 392.221 1.431 20 0 GDADMM O=C(NC[C@H](O)Cc1ccc(F)cc1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001571124323 952537376 /nfs/dbraw/zinc/53/73/76/952537376.db2.gz FTFDEZAJYYOCQU-GFCCVEGCSA-N -1 1 377.326 1.617 20 0 GDADMM O=C(NC[C@H](O)Cc1ccc(F)cc1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001571124323 952537380 /nfs/dbraw/zinc/53/73/80/952537380.db2.gz FTFDEZAJYYOCQU-GFCCVEGCSA-N -1 1 377.326 1.617 20 0 GDADMM Cc1nsc(N2CCCN(C(=O)[C@]3(C)CCOC3)CC2)c1-c1nn[n-]n1 ZINC001571127233 952552279 /nfs/dbraw/zinc/55/22/79/952552279.db2.gz BZEUPXHJQBDJLN-MRXNPFEDSA-N -1 1 377.474 1.097 20 0 GDADMM Cc1nsc(NC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C)CCCO2)c1-c1nn[n-]n1 ZINC001571127316 952554192 /nfs/dbraw/zinc/55/41/92/952554192.db2.gz CSFNIHRIHFEEAZ-YUSALJHKSA-N -1 1 377.474 1.317 20 0 GDADMM O=S(=O)(c1ccsc1-c1nn[n-]n1)N1CCCC[C@H]1c1ncccn1 ZINC001571127854 952560598 /nfs/dbraw/zinc/56/05/98/952560598.db2.gz KRVSIYLLMCWFMO-JTQLQIEISA-N -1 1 377.455 1.634 20 0 GDADMM CO[C@H](C)C(=O)N1CC[C@@]2(CCN(c3snc(C)c3-c3nn[n-]n3)C2)C1 ZINC001571128068 952562295 /nfs/dbraw/zinc/56/22/95/952562295.db2.gz ONTHLXNXFGOMPQ-BDJLRTHQSA-N -1 1 377.474 1.095 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001575214439 952564279 /nfs/dbraw/zinc/56/42/79/952564279.db2.gz KUOMEOOOZSEZCH-UHFFFAOYSA-N -1 1 380.403 1.423 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001575214439 952564283 /nfs/dbraw/zinc/56/42/83/952564283.db2.gz KUOMEOOOZSEZCH-UHFFFAOYSA-N -1 1 380.403 1.423 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2)c1cccnc1 ZINC001571128181 952564840 /nfs/dbraw/zinc/56/48/40/952564840.db2.gz QCFUZNHSWHRKMJ-KBPBESRZSA-N -1 1 377.412 1.205 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2)c1cccnc1 ZINC001571128181 952564842 /nfs/dbraw/zinc/56/48/42/952564842.db2.gz QCFUZNHSWHRKMJ-KBPBESRZSA-N -1 1 377.412 1.205 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001575214639 952565202 /nfs/dbraw/zinc/56/52/02/952565202.db2.gz NIDHDSRCTBGJJT-UHFFFAOYSA-N -1 1 380.403 1.423 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001575214639 952565208 /nfs/dbraw/zinc/56/52/08/952565208.db2.gz NIDHDSRCTBGJJT-UHFFFAOYSA-N -1 1 380.403 1.423 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575215554 952569382 /nfs/dbraw/zinc/56/93/82/952569382.db2.gz VRLRGFBXZREWLU-JTQLQIEISA-N -1 1 380.403 1.281 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575215554 952569383 /nfs/dbraw/zinc/56/93/83/952569383.db2.gz VRLRGFBXZREWLU-JTQLQIEISA-N -1 1 380.403 1.281 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575215870 952569990 /nfs/dbraw/zinc/56/99/90/952569990.db2.gz XPGXYBUWFSTDNL-JTQLQIEISA-N -1 1 380.403 1.599 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575215870 952569997 /nfs/dbraw/zinc/56/99/97/952569997.db2.gz XPGXYBUWFSTDNL-JTQLQIEISA-N -1 1 380.403 1.599 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@H](NC(=O)[C@@H]3CCC(F)(F)C3)C2)n1 ZINC001571129518 952575211 /nfs/dbraw/zinc/57/52/11/952575211.db2.gz FVMMQLPQNNDVQD-GMTAPVOTSA-N -1 1 378.387 1.460 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@H](NC(=O)[C@@H]3CCC(F)(F)C3)C2)n1 ZINC001571129518 952575212 /nfs/dbraw/zinc/57/52/12/952575212.db2.gz FVMMQLPQNNDVQD-GMTAPVOTSA-N -1 1 378.387 1.460 20 0 GDADMM O=C(CNC(=O)Nc1cccc(-c2nnn[n-]2)n1)N1CCCc2ccccc21 ZINC001571129843 952577709 /nfs/dbraw/zinc/57/77/09/952577709.db2.gz KKYUTCWOXVVXCV-UHFFFAOYSA-N -1 1 378.396 1.363 20 0 GDADMM O=C(CNC(=O)Nc1cccc(-c2nn[n-]n2)n1)N1CCCc2ccccc21 ZINC001571129843 952577712 /nfs/dbraw/zinc/57/77/12/952577712.db2.gz KKYUTCWOXVVXCV-UHFFFAOYSA-N -1 1 378.396 1.363 20 0 GDADMM CCc1ccccc1C(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571134312 952588348 /nfs/dbraw/zinc/58/83/48/952588348.db2.gz DIJMKMBCBZLVJG-ZDUSSCGKSA-N -1 1 378.440 1.793 20 0 GDADMM CCc1ccccc1C(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571134312 952588350 /nfs/dbraw/zinc/58/83/50/952588350.db2.gz DIJMKMBCBZLVJG-ZDUSSCGKSA-N -1 1 378.440 1.793 20 0 GDADMM Cc1cccc(C(=O)N[C@H]2CCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571134376 952589930 /nfs/dbraw/zinc/58/99/30/952589930.db2.gz HVSHEOVYUOWKKP-GJZGRUSLSA-N -1 1 378.440 1.540 20 0 GDADMM Cc1ccccc1CC(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571135317 952602242 /nfs/dbraw/zinc/60/22/42/952602242.db2.gz VPAICKYYDNNYLH-HNNXBMFYSA-N -1 1 378.440 1.611 20 0 GDADMM Cc1ccccc1CC(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571135317 952602245 /nfs/dbraw/zinc/60/22/45/952602245.db2.gz VPAICKYYDNNYLH-HNNXBMFYSA-N -1 1 378.440 1.611 20 0 GDADMM Cc1c[nH]cc1C(=O)N[C@]12CCC[C@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001571146703 952652607 /nfs/dbraw/zinc/65/26/07/952652607.db2.gz AUUMALGXRHGDSU-ACJLOTCBSA-N -1 1 379.428 1.225 20 0 GDADMM CN(C)c1cccc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571148460 952667581 /nfs/dbraw/zinc/66/75/81/952667581.db2.gz ZYTQCRVKNKWQRQ-CYBMUJFWSA-N -1 1 379.428 1.049 20 0 GDADMM CN(C)c1cccc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571148460 952667583 /nfs/dbraw/zinc/66/75/83/952667583.db2.gz ZYTQCRVKNKWQRQ-CYBMUJFWSA-N -1 1 379.428 1.049 20 0 GDADMM O=C(NC[C@H]1C[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1)c1ccn[nH]1 ZINC001571151985 952680256 /nfs/dbraw/zinc/68/02/56/952680256.db2.gz ATVLANWUPDYMFN-LJGSYFOKSA-N -1 1 379.837 1.320 20 0 GDADMM O=C(NC[C@H]1C[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1)c1ccn[nH]1 ZINC001571151985 952680257 /nfs/dbraw/zinc/68/02/57/952680257.db2.gz ATVLANWUPDYMFN-LJGSYFOKSA-N -1 1 379.837 1.320 20 0 GDADMM Cc1cnccc1C(=O)N1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1 ZINC001571156044 952700589 /nfs/dbraw/zinc/70/05/89/952700589.db2.gz BNJMMOXBLIJEEL-CQSZACIVSA-N -1 1 379.428 1.323 20 0 GDADMM Cc1cnccc1C(=O)N1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C1 ZINC001571156044 952700592 /nfs/dbraw/zinc/70/05/92/952700592.db2.gz BNJMMOXBLIJEEL-CQSZACIVSA-N -1 1 379.428 1.323 20 0 GDADMM Cc1ccc(C(=O)N2C[C@H](C)[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)cn1 ZINC001571156092 952701164 /nfs/dbraw/zinc/70/11/64/952701164.db2.gz CDHMAUPXTUFRMS-SMDDNHRTSA-N -1 1 379.428 1.180 20 0 GDADMM Cc1ccc(C(=O)N2C[C@H](C)[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)cn1 ZINC001571156092 952701171 /nfs/dbraw/zinc/70/11/71/952701171.db2.gz CDHMAUPXTUFRMS-SMDDNHRTSA-N -1 1 379.428 1.180 20 0 GDADMM COc1ccccc1C(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571158454 952711679 /nfs/dbraw/zinc/71/16/79/952711679.db2.gz IDNLUXUFDNWJBD-LBPRGKRZSA-N -1 1 380.412 1.382 20 0 GDADMM COc1ccccc1C(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571158454 952711684 /nfs/dbraw/zinc/71/16/84/952711684.db2.gz IDNLUXUFDNWJBD-LBPRGKRZSA-N -1 1 380.412 1.382 20 0 GDADMM COc1ccc([C@@H]2CN(C(C)=O)C[C@H]2Nc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001571159484 952719131 /nfs/dbraw/zinc/71/91/31/952719131.db2.gz WFQGZJGUMCCMCY-GOEBONIOSA-N -1 1 380.412 1.092 20 0 GDADMM COc1ccc([C@@H]2CN(C(C)=O)C[C@H]2Nc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001571159484 952719132 /nfs/dbraw/zinc/71/91/32/952719132.db2.gz WFQGZJGUMCCMCY-GOEBONIOSA-N -1 1 380.412 1.092 20 0 GDADMM O=C(Cc1ccoc1)N1CCC[C@H]2[C@@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001571160238 952724348 /nfs/dbraw/zinc/72/43/48/952724348.db2.gz FPUYOTMYELYCIK-KBPBESRZSA-N -1 1 380.412 1.062 20 0 GDADMM O=C(c1ccoc1C1CC1)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571160658 952727667 /nfs/dbraw/zinc/72/76/67/952727667.db2.gz KYZQEOYFYAIASR-LBPRGKRZSA-N -1 1 380.412 1.844 20 0 GDADMM O=C(c1ccoc1C1CC1)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571160658 952727671 /nfs/dbraw/zinc/72/76/71/952727671.db2.gz KYZQEOYFYAIASR-LBPRGKRZSA-N -1 1 380.412 1.844 20 0 GDADMM O=C(c1ccoc1)N1CCC[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CC[C@@H]21 ZINC001571161219 952730832 /nfs/dbraw/zinc/73/08/32/952730832.db2.gz RJZDRARSPFQBBV-OCCSQVGLSA-N -1 1 380.412 1.381 20 0 GDADMM Cc1ccoc1C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001571161652 952734157 /nfs/dbraw/zinc/73/41/57/952734157.db2.gz ZVPBIUUWOSOLFA-KGLIPLIRSA-N -1 1 380.412 1.442 20 0 GDADMM Cc1ccoc1C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001571161652 952734160 /nfs/dbraw/zinc/73/41/60/952734160.db2.gz ZVPBIUUWOSOLFA-KGLIPLIRSA-N -1 1 380.412 1.442 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@]3(NC(=O)[C@@H]4CC45CC5)CCC[C@H]23)n1 ZINC001571169844 952779921 /nfs/dbraw/zinc/77/99/21/952779921.db2.gz PDLVMYWFFZPKJK-PTAUBWNISA-N -1 1 380.456 1.383 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@]3(NC(=O)[C@@H]4CC45CC5)CCC[C@H]23)n1 ZINC001571169844 952779927 /nfs/dbraw/zinc/77/99/27/952779927.db2.gz PDLVMYWFFZPKJK-PTAUBWNISA-N -1 1 380.456 1.383 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)C2CC3(CC3)C2)n1 ZINC001571170580 952786893 /nfs/dbraw/zinc/78/68/93/952786893.db2.gz WSHCFLHFAQYKNN-OKILXGFUSA-N -1 1 380.456 1.335 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)C2CC3(CC3)C2)n1 ZINC001571170580 952786897 /nfs/dbraw/zinc/78/68/97/952786897.db2.gz WSHCFLHFAQYKNN-OKILXGFUSA-N -1 1 380.456 1.335 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2)C1(C2CC2)CC1 ZINC001571171841 952797699 /nfs/dbraw/zinc/79/76/99/952797699.db2.gz GRQFHUOXUOADNI-KBPBESRZSA-N -1 1 380.456 1.686 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2)C1(C2CC2)CC1 ZINC001571171841 952797700 /nfs/dbraw/zinc/79/77/00/952797700.db2.gz GRQFHUOXUOADNI-KBPBESRZSA-N -1 1 380.456 1.686 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2)C1(C2CC2)CC1 ZINC001571171843 952798213 /nfs/dbraw/zinc/79/82/13/952798213.db2.gz GRQFHUOXUOADNI-KGLIPLIRSA-N -1 1 380.456 1.686 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2)C1(C2CC2)CC1 ZINC001571171843 952798217 /nfs/dbraw/zinc/79/82/17/952798217.db2.gz GRQFHUOXUOADNI-KGLIPLIRSA-N -1 1 380.456 1.686 20 0 GDADMM O=C(NC[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)C12CCC(CC1)C2 ZINC001571172083 952801803 /nfs/dbraw/zinc/80/18/03/952801803.db2.gz LRZPDRFJMWPINC-WAZTXCFJSA-N -1 1 380.456 1.035 20 0 GDADMM O=C(NC[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)C12CCC(CC1)C2 ZINC001571172083 952801807 /nfs/dbraw/zinc/80/18/07/952801807.db2.gz LRZPDRFJMWPINC-WAZTXCFJSA-N -1 1 380.456 1.035 20 0 GDADMM O=C(c1cnc(C2CC2)o1)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571178741 952846791 /nfs/dbraw/zinc/84/67/91/952846791.db2.gz SIXWSDIIUPBIGU-LLVKDONJSA-N -1 1 381.400 1.239 20 0 GDADMM O=C(c1cnc(C2CC2)o1)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571178741 952846795 /nfs/dbraw/zinc/84/67/95/952846795.db2.gz SIXWSDIIUPBIGU-LLVKDONJSA-N -1 1 381.400 1.239 20 0 GDADMM CCc1[nH]ccc1C(=O)N(C)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571183453 952879105 /nfs/dbraw/zinc/87/91/05/952879105.db2.gz AJSKZQKPJVSSGZ-UHFFFAOYSA-N -1 1 381.444 1.288 20 0 GDADMM CCc1[nH]ccc1C(=O)N(C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571183453 952879111 /nfs/dbraw/zinc/87/91/11/952879111.db2.gz AJSKZQKPJVSSGZ-UHFFFAOYSA-N -1 1 381.444 1.288 20 0 GDADMM CCc1nc(NC[C@H]2CCCCN2C(=O)c2ccc[nH]2)cc(-c2nnn[n-]2)n1 ZINC001571183782 952883676 /nfs/dbraw/zinc/88/36/76/952883676.db2.gz JINDLIFDNLNIOP-GFCCVEGCSA-N -1 1 381.444 1.654 20 0 GDADMM CCc1nc(NC[C@H]2CCCCN2C(=O)c2ccc[nH]2)cc(-c2nn[n-]n2)n1 ZINC001571183782 952883680 /nfs/dbraw/zinc/88/36/80/952883680.db2.gz JINDLIFDNLNIOP-GFCCVEGCSA-N -1 1 381.444 1.654 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H](NC(=O)c3cc[nH]c3C)C2)n1 ZINC001571184229 952889166 /nfs/dbraw/zinc/88/91/66/952889166.db2.gz UIAWBWUQBPWXJG-GFCCVEGCSA-N -1 1 381.444 1.254 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H](NC(=O)c3cc[nH]c3C)C2)n1 ZINC001571184229 952889170 /nfs/dbraw/zinc/88/91/70/952889170.db2.gz UIAWBWUQBPWXJG-GFCCVEGCSA-N -1 1 381.444 1.254 20 0 GDADMM CCn1cccc1C(=O)N[C@@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571185147 952900213 /nfs/dbraw/zinc/90/02/13/952900213.db2.gz IVXVEZRCNDBQRB-QWHCGFSZSA-N -1 1 381.444 1.489 20 0 GDADMM CCn1cccc1C(=O)N[C@@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571185147 952900215 /nfs/dbraw/zinc/90/02/15/952900215.db2.gz IVXVEZRCNDBQRB-QWHCGFSZSA-N -1 1 381.444 1.489 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CCC[C@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571185243 952901230 /nfs/dbraw/zinc/90/12/30/952901230.db2.gz JXYBSYOYZRGTQP-YPMHNXCESA-N -1 1 381.444 1.646 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CCC[C@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571185243 952901232 /nfs/dbraw/zinc/90/12/32/952901232.db2.gz JXYBSYOYZRGTQP-YPMHNXCESA-N -1 1 381.444 1.646 20 0 GDADMM CCn1ccc(C(=O)N2C[C@@H](C)[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1C ZINC001571185814 952903869 /nfs/dbraw/zinc/90/38/69/952903869.db2.gz QETQTOGKERAZOL-ABAIWWIYSA-N -1 1 381.444 1.359 20 0 GDADMM CCn1ccc(C(=O)N2C[C@@H](C)[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1C ZINC001571185814 952903872 /nfs/dbraw/zinc/90/38/72/952903872.db2.gz QETQTOGKERAZOL-ABAIWWIYSA-N -1 1 381.444 1.359 20 0 GDADMM CCn1ccc(C(=O)N2CC[C@@H](N(C)c3cncc(-c4nnn[n-]4)n3)C2)c1C ZINC001571186298 952906665 /nfs/dbraw/zinc/90/66/65/952906665.db2.gz VZFWZCOMYHDLGW-CYBMUJFWSA-N -1 1 381.444 1.137 20 0 GDADMM CCn1ccc(C(=O)N2CC[C@@H](N(C)c3cncc(-c4nn[n-]n4)n3)C2)c1C ZINC001571186298 952906667 /nfs/dbraw/zinc/90/66/67/952906667.db2.gz VZFWZCOMYHDLGW-CYBMUJFWSA-N -1 1 381.444 1.137 20 0 GDADMM Cc1cc(C(=O)NC[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)c(C)[nH]1 ZINC001571187678 952909196 /nfs/dbraw/zinc/90/91/96/952909196.db2.gz ANUNVCZBIHHGSF-ZDUSSCGKSA-N -1 1 381.444 1.248 20 0 GDADMM Cc1cc(C(=O)NC[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)c(C)[nH]1 ZINC001571187678 952909199 /nfs/dbraw/zinc/90/91/99/952909199.db2.gz ANUNVCZBIHHGSF-ZDUSSCGKSA-N -1 1 381.444 1.248 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@H]2CC[C@@H](C)N(c3cncc(-c4nnn[n-]4)n3)C2)[nH]1 ZINC001571187689 952909346 /nfs/dbraw/zinc/90/93/46/952909346.db2.gz AQTGORAYRPWYAE-OLZOCXBDSA-N -1 1 381.444 1.389 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@H]2CC[C@@H](C)N(c3cncc(-c4nn[n-]n4)n3)C2)[nH]1 ZINC001571187689 952909350 /nfs/dbraw/zinc/90/93/50/952909350.db2.gz AQTGORAYRPWYAE-OLZOCXBDSA-N -1 1 381.444 1.389 20 0 GDADMM Cc1ccc(C(=O)N2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C(C)(C)C2)n1C ZINC001571189075 952923571 /nfs/dbraw/zinc/92/35/71/952923571.db2.gz RQMOTCSCVLLZQT-AWEZNQCLSA-N -1 1 381.444 1.266 20 0 GDADMM Cc1ccc(C(=O)N2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C(C)(C)C2)n1C ZINC001571189075 952923575 /nfs/dbraw/zinc/92/35/75/952923575.db2.gz RQMOTCSCVLLZQT-AWEZNQCLSA-N -1 1 381.444 1.266 20 0 GDADMM Cc1ccc(C(=O)N2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C[C@H]2C)c(F)c1 ZINC001571195604 952977457 /nfs/dbraw/zinc/97/74/57/952977457.db2.gz COOHSUDKBIPUCO-NEPJUHHUSA-N -1 1 382.403 1.819 20 0 GDADMM Cc1ccc(C(=O)N2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C[C@H]2C)c(F)c1 ZINC001571195604 952977463 /nfs/dbraw/zinc/97/74/63/952977463.db2.gz COOHSUDKBIPUCO-NEPJUHHUSA-N -1 1 382.403 1.819 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)ccc1F ZINC001571195716 952977598 /nfs/dbraw/zinc/97/75/98/952977598.db2.gz FFGYRUWNHLPGNG-CYBMUJFWSA-N -1 1 382.403 1.821 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)ccc1F ZINC001571195716 952977603 /nfs/dbraw/zinc/97/76/03/952977603.db2.gz FFGYRUWNHLPGNG-CYBMUJFWSA-N -1 1 382.403 1.821 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@H](NC(=O)c3cccc(C)c3F)C2)n1 ZINC001571196134 952980691 /nfs/dbraw/zinc/98/06/91/952980691.db2.gz HPVFVTISASBRGL-HAQNSBGRSA-N -1 1 382.403 1.786 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@H](NC(=O)c3cccc(C)c3F)C2)n1 ZINC001571196134 952980695 /nfs/dbraw/zinc/98/06/95/952980695.db2.gz HPVFVTISASBRGL-HAQNSBGRSA-N -1 1 382.403 1.786 20 0 GDADMM Cc1cc(C(=O)N2CCC(Nc3ccnc(-c4nn[n-]n4)n3)CC2)ccc1F ZINC001571196470 952981562 /nfs/dbraw/zinc/98/15/62/952981562.db2.gz KXPWLMGJKAJTPR-UHFFFAOYSA-N -1 1 382.403 1.243 20 0 GDADMM Cc1cccc(C(=O)N[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)c1F ZINC001571196893 952984736 /nfs/dbraw/zinc/98/47/36/952984736.db2.gz PBQZDUPFHOGHBI-LBPRGKRZSA-N -1 1 382.403 1.503 20 0 GDADMM Cc1cccc(C(=O)N[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)c1F ZINC001571196893 952984739 /nfs/dbraw/zinc/98/47/39/952984739.db2.gz PBQZDUPFHOGHBI-LBPRGKRZSA-N -1 1 382.403 1.503 20 0 GDADMM O=C([C@@H](F)Cc1ccccc1)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571196897 952985013 /nfs/dbraw/zinc/98/50/13/952985013.db2.gz PENQIQIQADIZED-KBPBESRZSA-N -1 1 382.403 1.250 20 0 GDADMM O=C([C@@H](F)Cc1ccccc1)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571196897 952985020 /nfs/dbraw/zinc/98/50/20/952985020.db2.gz PENQIQIQADIZED-KBPBESRZSA-N -1 1 382.403 1.250 20 0 GDADMM CN(C(=O)[C@@H](F)c1ccccc1)C1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571196965 952986133 /nfs/dbraw/zinc/98/61/33/952986133.db2.gz QWRVJAGEBZNYSZ-PIMMBPRGSA-N -1 1 382.403 1.191 20 0 GDADMM C[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccc(F)cc1 ZINC001571197301 952988350 /nfs/dbraw/zinc/98/83/50/952988350.db2.gz VWARDTVHVUGUAL-RISCZKNCSA-N -1 1 382.403 1.901 20 0 GDADMM C[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccc(F)cc1 ZINC001571197301 952988354 /nfs/dbraw/zinc/98/83/54/952988354.db2.gz VWARDTVHVUGUAL-RISCZKNCSA-N -1 1 382.403 1.901 20 0 GDADMM CCc1nc(N[C@H]2C[C@H](NC(=O)Cc3occc3C)C2)cc(-c2nnn[n-]2)n1 ZINC001571198562 952990640 /nfs/dbraw/zinc/99/06/40/952990640.db2.gz CHISGPHELORGRI-HAQNSBGRSA-N -1 1 382.428 1.422 20 0 GDADMM CCc1nc(N[C@H]2C[C@H](NC(=O)Cc3occc3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571198562 952990643 /nfs/dbraw/zinc/99/06/43/952990643.db2.gz CHISGPHELORGRI-HAQNSBGRSA-N -1 1 382.428 1.422 20 0 GDADMM CCc1occc1C(=O)N1CCC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571198736 952992303 /nfs/dbraw/zinc/99/23/03/952992303.db2.gz FDMBILJRQPHRKW-LBPRGKRZSA-N -1 1 382.428 1.776 20 0 GDADMM CCc1occc1C(=O)N1CCC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571198736 952992306 /nfs/dbraw/zinc/99/23/06/952992306.db2.gz FDMBILJRQPHRKW-LBPRGKRZSA-N -1 1 382.428 1.776 20 0 GDADMM O=C(Cc1cccc(F)c1)N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571200001 953006112 /nfs/dbraw/zinc/00/61/12/953006112.db2.gz GVNBGQSDXPJVIZ-UHFFFAOYSA-N -1 1 382.403 1.441 20 0 GDADMM O=C(Cc1cccc(F)c1)N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571200001 953006119 /nfs/dbraw/zinc/00/61/19/953006119.db2.gz GVNBGQSDXPJVIZ-UHFFFAOYSA-N -1 1 382.403 1.441 20 0 GDADMM O=C(NC[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccc(F)cc1 ZINC001571200006 953006993 /nfs/dbraw/zinc/00/69/93/953006993.db2.gz GZPHVVLGRVCDGY-LBPRGKRZSA-N -1 1 382.403 1.442 20 0 GDADMM O=C(NC[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccc(F)cc1 ZINC001571200006 953006998 /nfs/dbraw/zinc/00/69/98/953006998.db2.gz GZPHVVLGRVCDGY-LBPRGKRZSA-N -1 1 382.403 1.442 20 0 GDADMM O=C(N[C@H]1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)c1cccc(F)c1 ZINC001571200414 953008339 /nfs/dbraw/zinc/00/83/39/953008339.db2.gz ILCJKNBSTYFYIF-RISCZKNCSA-N -1 1 382.403 1.806 20 0 GDADMM O=C(N[C@H]1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)c1cccc(F)c1 ZINC001571200414 953008341 /nfs/dbraw/zinc/00/83/41/953008341.db2.gz ILCJKNBSTYFYIF-RISCZKNCSA-N -1 1 382.403 1.806 20 0 GDADMM Cc1cc(C(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C(C)(C)C2)c(C)o1 ZINC001571200505 953009994 /nfs/dbraw/zinc/00/99/94/953009994.db2.gz CRWDKQCQFMFYPX-AWEZNQCLSA-N -1 1 382.428 1.829 20 0 GDADMM Cc1cc(C(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C(C)(C)C2)c(C)o1 ZINC001571200505 953009998 /nfs/dbraw/zinc/00/99/98/953009998.db2.gz CRWDKQCQFMFYPX-AWEZNQCLSA-N -1 1 382.428 1.829 20 0 GDADMM CCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)c2cocc2C)CC1 ZINC001571200783 953011823 /nfs/dbraw/zinc/01/18/23/953011823.db2.gz LTHUHVBDZNUCJM-UHFFFAOYSA-N -1 1 382.428 1.477 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C[C@H]2C)oc1C ZINC001571200991 953013140 /nfs/dbraw/zinc/01/31/40/953013140.db2.gz HPMIONKQVFRZAY-YPMHNXCESA-N -1 1 382.428 1.972 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C[C@H]2C)oc1C ZINC001571200991 953013142 /nfs/dbraw/zinc/01/31/42/953013142.db2.gz HPMIONKQVFRZAY-YPMHNXCESA-N -1 1 382.428 1.972 20 0 GDADMM O=C(Cc1ccccc1F)NC1CC(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571201125 953015087 /nfs/dbraw/zinc/01/50/87/953015087.db2.gz NCLWWBAXPOAXJY-UHFFFAOYSA-N -1 1 382.403 1.345 20 0 GDADMM O=C(Cc1ccccc1F)NC1CC(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571201125 953015090 /nfs/dbraw/zinc/01/50/90/953015090.db2.gz NCLWWBAXPOAXJY-UHFFFAOYSA-N -1 1 382.403 1.345 20 0 GDADMM Cc1occc1C(=O)N1CC[C@@H]([C@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571201772 953020184 /nfs/dbraw/zinc/02/01/84/953020184.db2.gz NYFQJSMDZLMBSE-WCQYABFASA-N -1 1 382.428 1.829 20 0 GDADMM Cc1occc1C(=O)N1CC[C@@H]([C@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571201772 953020188 /nfs/dbraw/zinc/02/01/88/953020188.db2.gz NYFQJSMDZLMBSE-WCQYABFASA-N -1 1 382.428 1.829 20 0 GDADMM CC1(C)CN(c2ccc(-c3nnn[n-]3)nn2)CC[C@@H]1NC(=O)Cc1ccco1 ZINC001571202504 953026920 /nfs/dbraw/zinc/02/69/20/953026920.db2.gz ZJOZRALPIOHZLR-AWEZNQCLSA-N -1 1 382.428 1.214 20 0 GDADMM CC1(C)CN(c2ccc(-c3nn[n-]n3)nn2)CC[C@@H]1NC(=O)Cc1ccco1 ZINC001571202504 953026924 /nfs/dbraw/zinc/02/69/24/953026924.db2.gz ZJOZRALPIOHZLR-AWEZNQCLSA-N -1 1 382.428 1.214 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CC2(C)C)oc1C ZINC001571202544 953027119 /nfs/dbraw/zinc/02/71/19/953027119.db2.gz UQLYLSVRZBNTPU-AWEZNQCLSA-N -1 1 382.428 1.511 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CC2(C)C)oc1C ZINC001571202544 953027123 /nfs/dbraw/zinc/02/71/23/953027123.db2.gz UQLYLSVRZBNTPU-AWEZNQCLSA-N -1 1 382.428 1.511 20 0 GDADMM Cc1oc(C)c(C(=O)N2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C[C@@H]2C)c1C ZINC001571205355 953036826 /nfs/dbraw/zinc/03/68/26/953036826.db2.gz HYTBTVOKGRWEAT-TVQRCGJNSA-N -1 1 382.428 1.890 20 0 GDADMM Cc1oc(C)c(C(=O)N2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C[C@@H]2C)c1C ZINC001571205355 953036829 /nfs/dbraw/zinc/03/68/29/953036829.db2.gz HYTBTVOKGRWEAT-TVQRCGJNSA-N -1 1 382.428 1.890 20 0 GDADMM Cc1c[nH]nc1C(=O)N(C)C1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571206390 953049928 /nfs/dbraw/zinc/04/99/28/953049928.db2.gz GDLJPXDPEIWORV-UHFFFAOYSA-N -1 1 382.432 1.184 20 0 GDADMM Cc1c[nH]nc1C(=O)N(C)C1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571206390 953049931 /nfs/dbraw/zinc/04/99/31/953049931.db2.gz GDLJPXDPEIWORV-UHFFFAOYSA-N -1 1 382.432 1.184 20 0 GDADMM Cc1nc[nH]c1C(=O)N[C@@H]1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571207185 953059699 /nfs/dbraw/zinc/05/96/99/953059699.db2.gz OLEOHZHXVZJZBZ-VXGBXAGGSA-N -1 1 382.432 1.089 20 0 GDADMM Cc1nc[nH]c1C(=O)N[C@@H]1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571207185 953059702 /nfs/dbraw/zinc/05/97/02/953059702.db2.gz OLEOHZHXVZJZBZ-VXGBXAGGSA-N -1 1 382.432 1.089 20 0 GDADMM Cc1c(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)cnn1C(C)C ZINC001571207409 953062504 /nfs/dbraw/zinc/06/25/04/953062504.db2.gz QYTNYYVCTPGYHV-LBPRGKRZSA-N -1 1 382.432 1.069 20 0 GDADMM Cc1c(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)cnn1C(C)C ZINC001571207409 953062508 /nfs/dbraw/zinc/06/25/08/953062508.db2.gz QYTNYYVCTPGYHV-LBPRGKRZSA-N -1 1 382.432 1.069 20 0 GDADMM Cc1c[nH]c(C(=O)N2CCC[C@H]([C@H](C)Nc3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571207684 953066347 /nfs/dbraw/zinc/06/63/47/953066347.db2.gz ZSVFUWODTMHOIU-RYUDHWBXSA-N -1 1 382.432 1.041 20 0 GDADMM Cc1c[nH]c(C(=O)N2CCC[C@H]([C@H](C)Nc3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571207684 953066348 /nfs/dbraw/zinc/06/63/48/953066348.db2.gz ZSVFUWODTMHOIU-RYUDHWBXSA-N -1 1 382.432 1.041 20 0 GDADMM O=C(N[C@]12CCC[C@@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2)c1cccs1 ZINC001571210237 953071207 /nfs/dbraw/zinc/07/12/07/953071207.db2.gz PFTGZLMSZRDQKZ-SJCJKPOMSA-N -1 1 382.453 1.650 20 0 GDADMM CN(C(=O)C1=CCCCCC1)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571211533 953077153 /nfs/dbraw/zinc/07/71/53/953077153.db2.gz AUUJTCCMOCPLDU-UHFFFAOYSA-N -1 1 382.472 1.974 20 0 GDADMM CN(C(=O)C1=CCCCCC1)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571211533 953077155 /nfs/dbraw/zinc/07/71/55/953077155.db2.gz AUUJTCCMOCPLDU-UHFFFAOYSA-N -1 1 382.472 1.974 20 0 GDADMM CCC1(C(=O)N2CCC3(C2)CCN(c2nccnc2-c2nnn[n-]2)CC3)CC1 ZINC001571211506 953077583 /nfs/dbraw/zinc/07/75/83/953077583.db2.gz ACSORIKWJGNPOX-UHFFFAOYSA-N -1 1 382.472 1.666 20 0 GDADMM CCC1(C(=O)N2CCC3(C2)CCN(c2nccnc2-c2nn[n-]n2)CC3)CC1 ZINC001571211506 953077586 /nfs/dbraw/zinc/07/75/86/953077586.db2.gz ACSORIKWJGNPOX-UHFFFAOYSA-N -1 1 382.472 1.666 20 0 GDADMM C[C@H]1CC[C@H](NC(=O)C(C2CC2)C2CC2)CN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571211734 953080305 /nfs/dbraw/zinc/08/03/05/953080305.db2.gz DPZUOJQLTISOGR-FZMZJTMJSA-N -1 1 382.472 1.566 20 0 GDADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@H]1CCN(C(=O)C23CCC(CC2)CC3)C1 ZINC001571211996 953082359 /nfs/dbraw/zinc/08/23/59/953082359.db2.gz GZUZKCVMUZQYKO-BIWSTMPVSA-N -1 1 382.472 1.664 20 0 GDADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)C23CCC(CC2)CC3)C1 ZINC001571211996 953082363 /nfs/dbraw/zinc/08/23/63/953082363.db2.gz GZUZKCVMUZQYKO-BIWSTMPVSA-N -1 1 382.472 1.664 20 0 GDADMM C[C@H]1CN(C(=O)C23CCC(CC2)CC3)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571212425 953088094 /nfs/dbraw/zinc/08/80/94/953088094.db2.gz LLOSBUFNTMJOAH-MBRDSATJSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@H]1CN(C(=O)C23CCC(CC2)CC3)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571212425 953088099 /nfs/dbraw/zinc/08/80/99/953088099.db2.gz LLOSBUFNTMJOAH-MBRDSATJSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@H]1CN(C(=O)C2(C3CC3)CC2)CC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571212503 953089037 /nfs/dbraw/zinc/08/90/37/953089037.db2.gz MORXWNPABFAEQJ-STQMWFEESA-N -1 1 382.472 1.165 20 0 GDADMM CC1(C)C2CCC1(C(=O)N[C@H]1CCN(c3ccnc(-c4nn[n-]n4)n3)C1)CC2 ZINC001571213217 953093081 /nfs/dbraw/zinc/09/30/81/953093081.db2.gz PSNQQNGSFUJVOQ-MLZJXEJWSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CC2)C[C@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001571213248 953093707 /nfs/dbraw/zinc/09/37/07/953093707.db2.gz QCCWCRMDHVBPBU-REBRKWNGSA-N -1 1 382.472 1.599 20 0 GDADMM C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CC2)C[C@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001571213248 953093711 /nfs/dbraw/zinc/09/37/11/953093711.db2.gz QCCWCRMDHVBPBU-REBRKWNGSA-N -1 1 382.472 1.599 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCN(C(=O)[C@@H]3CC34CCCC4)C2)n1 ZINC001571214084 953099938 /nfs/dbraw/zinc/09/99/38/953099938.db2.gz WLVJYILVSJIQJO-KGLIPLIRSA-N -1 1 382.472 1.806 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCN(C(=O)[C@@H]3CC34CCCC4)C2)n1 ZINC001571214084 953099941 /nfs/dbraw/zinc/09/99/41/953099941.db2.gz WLVJYILVSJIQJO-KGLIPLIRSA-N -1 1 382.472 1.806 20 0 GDADMM CCC[C@@H]1C[C@H]1C(=O)N1CC[C@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571214315 953101491 /nfs/dbraw/zinc/10/14/91/953101491.db2.gz XBFVAXIRVBEHED-LPMFXHHGSA-N -1 1 382.472 1.522 20 0 GDADMM CCC[C@@H]1C[C@H]1C(=O)N1CC[C@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571214315 953101494 /nfs/dbraw/zinc/10/14/94/953101494.db2.gz XBFVAXIRVBEHED-LPMFXHHGSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H]1CN(C(=O)C2CC3(CCC3)C2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571214496 953102847 /nfs/dbraw/zinc/10/28/47/953102847.db2.gz ZYLJSNWQXIKIPK-TZMCWYRMSA-N -1 1 382.472 1.165 20 0 GDADMM O=C(NC[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)[C@H]1CCCC12CC2 ZINC001571217349 953107159 /nfs/dbraw/zinc/10/71/59/953107159.db2.gz FWGDDBVZBNNNQT-UONOGXRCSA-N -1 1 382.472 1.570 20 0 GDADMM O=C(C1CCC2(CC2)CC1)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571217657 953110252 /nfs/dbraw/zinc/11/02/52/953110252.db2.gz GZTAQNQRTKISGO-UHFFFAOYSA-N -1 1 382.472 1.666 20 0 GDADMM O=C(C1CC1)N1CCC[C@@H](C2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001571218858 953119797 /nfs/dbraw/zinc/11/97/97/953119797.db2.gz RZAQSIUOXSXNGN-OAHLLOKOSA-N -1 1 382.472 1.522 20 0 GDADMM O=C(C1CC1)N1CCC[C@@H](C2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC001571218858 953119800 /nfs/dbraw/zinc/11/98/00/953119800.db2.gz RZAQSIUOXSXNGN-OAHLLOKOSA-N -1 1 382.472 1.522 20 0 GDADMM O=C(CCC1CCC1)N1CC[C@@H]2[C@@H](CCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001571218847 953119909 /nfs/dbraw/zinc/11/99/09/953119909.db2.gz RXGWQKSLTHJFAI-LSDHHAIUSA-N -1 1 382.472 1.664 20 0 GDADMM O=C(CCC1CCC1)N1CC[C@@H]2[C@@H](CCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001571218847 953119910 /nfs/dbraw/zinc/11/99/10/953119910.db2.gz RXGWQKSLTHJFAI-LSDHHAIUSA-N -1 1 382.472 1.664 20 0 GDADMM O=C(N[C@H]1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ncccc1F ZINC001571218904 953121158 /nfs/dbraw/zinc/12/11/58/953121158.db2.gz GMEBRNJJDRQFDL-QWRGUYRKSA-N -1 1 383.391 1.344 20 0 GDADMM O=C(N[C@H]1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ncccc1F ZINC001571218904 953121160 /nfs/dbraw/zinc/12/11/60/953121160.db2.gz GMEBRNJJDRQFDL-QWRGUYRKSA-N -1 1 383.391 1.344 20 0 GDADMM O=C(C1CCC1)N1CCCC[C@H]1[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1 ZINC001571219123 953123308 /nfs/dbraw/zinc/12/33/08/953123308.db2.gz VYOIJILKKVNYMC-GJZGRUSLSA-N -1 1 382.472 1.807 20 0 GDADMM O=C(C1CCC1)N1CCCC[C@H]1[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1 ZINC001571219123 953123312 /nfs/dbraw/zinc/12/33/12/953123312.db2.gz VYOIJILKKVNYMC-GJZGRUSLSA-N -1 1 382.472 1.807 20 0 GDADMM COc1ncc(NC(=O)NC[C@@H](O)[C@@H](C)c2ccccc2)cc1-c1nn[n-]n1 ZINC001571219224 953124529 /nfs/dbraw/zinc/12/45/29/953124529.db2.gz MRTQOKMSNFKOPV-XHDPSFHLSA-N -1 1 383.412 1.556 20 0 GDADMM O=C(CCC1CC1)N1CCC[C@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571219303 953124911 /nfs/dbraw/zinc/12/49/11/953124911.db2.gz WVSRXXLTJIWHFN-LJQANCHMSA-N -1 1 382.472 1.666 20 0 GDADMM O=C(C(C1CCC1)C1CCC1)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571219571 953126645 /nfs/dbraw/zinc/12/66/45/953126645.db2.gz ZOSLHYKKVAKFIK-AWEZNQCLSA-N -1 1 382.472 1.308 20 0 GDADMM CC(C)c1cc(C(=O)N2CC[C@@H](N(C)c3cncc(-c4nnn[n-]4)n3)C2)no1 ZINC001571222892 953139387 /nfs/dbraw/zinc/13/93/87/953139387.db2.gz MUZGSMNYKLZEAS-LLVKDONJSA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1cc(C(=O)N2CC[C@@H](N(C)c3cncc(-c4nn[n-]n4)n3)C2)no1 ZINC001571222892 953139390 /nfs/dbraw/zinc/13/93/90/953139390.db2.gz MUZGSMNYKLZEAS-LLVKDONJSA-N -1 1 383.416 1.119 20 0 GDADMM Cc1ncoc1C(=O)N1CCC[C@@H]1CN(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001571224957 953152290 /nfs/dbraw/zinc/15/22/90/953152290.db2.gz HFHAKYHEILCADM-GFCCVEGCSA-N -1 1 383.416 1.003 20 0 GDADMM Cc1ncoc1C(=O)N1CCC[C@@H]1CN(C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001571224957 953152291 /nfs/dbraw/zinc/15/22/91/953152291.db2.gz HFHAKYHEILCADM-GFCCVEGCSA-N -1 1 383.416 1.003 20 0 GDADMM Cc1noc(C)c1C(=O)N[C@@H]1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571225303 953152708 /nfs/dbraw/zinc/15/27/08/953152708.db2.gz JKDHXEINZKAPLE-VXGBXAGGSA-N -1 1 383.416 1.272 20 0 GDADMM Cc1noc(C)c1C(=O)N[C@@H]1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571225303 953152710 /nfs/dbraw/zinc/15/27/10/953152710.db2.gz JKDHXEINZKAPLE-VXGBXAGGSA-N -1 1 383.416 1.272 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](NC(=O)c3ncoc3C(C)C)C2)n1 ZINC001571226485 953155822 /nfs/dbraw/zinc/15/58/22/953155822.db2.gz SBTGINKNFXYZHK-LLVKDONJSA-N -1 1 383.416 1.085 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)c3ncoc3C(C)C)C2)n1 ZINC001571226485 953155825 /nfs/dbraw/zinc/15/58/25/953155825.db2.gz SBTGINKNFXYZHK-LLVKDONJSA-N -1 1 383.416 1.085 20 0 GDADMM Cc1nc(C(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C[C@H]2C)c(C)o1 ZINC001571226690 953156595 /nfs/dbraw/zinc/15/65/95/953156595.db2.gz WCEHGOLJKFQDPE-BXKDBHETSA-N -1 1 383.416 1.367 20 0 GDADMM Cc1nc(C(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C[C@H]2C)c(C)o1 ZINC001571226690 953156598 /nfs/dbraw/zinc/15/65/98/953156598.db2.gz WCEHGOLJKFQDPE-BXKDBHETSA-N -1 1 383.416 1.367 20 0 GDADMM Cc1nsc(N2CCCC[C@H]2CNC(=O)[C@@H]2CC2(F)F)c1-c1nn[n-]n1 ZINC001571230378 953176628 /nfs/dbraw/zinc/17/66/28/953176628.db2.gz WPZQEVGHRPMTKK-UWVGGRQHSA-N -1 1 383.428 1.762 20 0 GDADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1)c1ccns1 ZINC001571230926 953181268 /nfs/dbraw/zinc/18/12/68/953181268.db2.gz NOBDDQKLWBQSFH-FGWVZKOKSA-N -1 1 383.441 1.043 20 0 GDADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1)c1ccns1 ZINC001571230926 953181269 /nfs/dbraw/zinc/18/12/69/953181269.db2.gz NOBDDQKLWBQSFH-FGWVZKOKSA-N -1 1 383.441 1.043 20 0 GDADMM Cc1cc(F)cc(-c2nn[n-]n2)c1S(=O)(=O)NCC[C@@H]1CC(C)(C)CO1 ZINC001571231027 953182454 /nfs/dbraw/zinc/18/24/54/953182454.db2.gz QNDZTDFWIFRSNL-GFCCVEGCSA-N -1 1 383.449 1.798 20 0 GDADMM O=C([C@H]1CCOC1)N1CC[C@@H](CNc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571234552 953202853 /nfs/dbraw/zinc/20/28/53/953202853.db2.gz BKEJCXGSYIOEBG-IUCAKERBSA-N -1 1 383.865 1.274 20 0 GDADMM O=C(C[C@@H]1CCCO1)N[C@@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571234853 953206142 /nfs/dbraw/zinc/20/61/42/953206142.db2.gz KRYLZWOJYFUWNW-BDAKNGLRSA-N -1 1 383.865 1.241 20 0 GDADMM O=C(C[C@@H]1CCCO1)N[C@@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571234853 953206144 /nfs/dbraw/zinc/20/61/44/953206144.db2.gz KRYLZWOJYFUWNW-BDAKNGLRSA-N -1 1 383.865 1.241 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1)[C@H]1CCCCO1 ZINC001571235200 953209162 /nfs/dbraw/zinc/20/91/62/953209162.db2.gz WQBGBTCUPBFWDO-HRDYMLBCSA-N -1 1 383.865 1.605 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1)[C@H]1CCCO1 ZINC001571235213 953210469 /nfs/dbraw/zinc/21/04/69/953210469.db2.gz XIECESIGFXIZJY-HRDYMLBCSA-N -1 1 383.865 1.462 20 0 GDADMM C[C@@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)C[C@H]1NC(=O)[C@@H]1CCCO1 ZINC001571235287 953211157 /nfs/dbraw/zinc/21/11/57/953211157.db2.gz ZCVOAFFHFUQWFQ-HLTSFMKQSA-N -1 1 383.865 1.097 20 0 GDADMM C[C@@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)C[C@H]1NC(=O)[C@@H]1CCCO1 ZINC001571235287 953211161 /nfs/dbraw/zinc/21/11/61/953211161.db2.gz ZCVOAFFHFUQWFQ-HLTSFMKQSA-N -1 1 383.865 1.097 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N[C@H]1CC12CC(O)C2 ZINC001571236178 953216720 /nfs/dbraw/zinc/21/67/20/953216720.db2.gz UBRDSRSJUCVLHE-SONWAFBRSA-N -1 1 384.375 1.226 20 0 GDADMM COCc1ccc(C(=O)N2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C[C@H]2C)o1 ZINC001571236381 953217369 /nfs/dbraw/zinc/21/73/69/953217369.db2.gz YENXHLWCPOOBKZ-MNOVXSKESA-N -1 1 384.400 1.111 20 0 GDADMM COCc1ccc(C(=O)N2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C[C@H]2C)o1 ZINC001571236381 953217372 /nfs/dbraw/zinc/21/73/72/953217372.db2.gz YENXHLWCPOOBKZ-MNOVXSKESA-N -1 1 384.400 1.111 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCC(C)(C)n1cccn1 ZINC001571242729 953259544 /nfs/dbraw/zinc/25/95/44/953259544.db2.gz MSRNCIAGCUTYDI-UHFFFAOYSA-N -1 1 384.444 1.265 20 0 GDADMM CN(C[C@H]1CCN(C(=O)Cc2ccsc2)C1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571244768 953266470 /nfs/dbraw/zinc/26/64/70/953266470.db2.gz HUPOYJTWLMNURN-CYBMUJFWSA-N -1 1 384.469 1.246 20 0 GDADMM CN(C[C@H]1CCN(C(=O)Cc2ccsc2)C1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571244768 953266474 /nfs/dbraw/zinc/26/64/74/953266474.db2.gz HUPOYJTWLMNURN-CYBMUJFWSA-N -1 1 384.469 1.246 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](NC(=O)Cc3cccs3)C2)n1 ZINC001571244773 953266641 /nfs/dbraw/zinc/26/66/41/953266641.db2.gz HWNCNZCMRJSYHX-GFCCVEGCSA-N -1 1 384.469 1.354 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](NC(=O)Cc3cccs3)C2)n1 ZINC001571244773 953266644 /nfs/dbraw/zinc/26/66/44/953266644.db2.gz HWNCNZCMRJSYHX-GFCCVEGCSA-N -1 1 384.469 1.354 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H](CCNc3cncc(-c4nnn[n-]4)n3)C2)s1 ZINC001571244913 953267993 /nfs/dbraw/zinc/26/79/93/953267993.db2.gz LZNXKKGFKODNDJ-GFCCVEGCSA-N -1 1 384.469 1.991 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H](CCNc3cncc(-c4nn[n-]n4)n3)C2)s1 ZINC001571244913 953267996 /nfs/dbraw/zinc/26/79/96/953267996.db2.gz LZNXKKGFKODNDJ-GFCCVEGCSA-N -1 1 384.469 1.991 20 0 GDADMM Cc1cscc1C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571245038 953269658 /nfs/dbraw/zinc/26/96/58/953269658.db2.gz MLMVUUQKUWMFPL-LBPRGKRZSA-N -1 1 384.469 1.816 20 0 GDADMM Cc1cscc1C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571245038 953269662 /nfs/dbraw/zinc/26/96/62/953269662.db2.gz MLMVUUQKUWMFPL-LBPRGKRZSA-N -1 1 384.469 1.816 20 0 GDADMM C[C@@]1(CNc2ccc(-c3nnn[n-]3)nn2)CCN(C(=O)Cc2ccsc2)C1 ZINC001571245894 953277778 /nfs/dbraw/zinc/27/77/78/953277778.db2.gz ODMMAEQAFMKAJY-KRWDZBQOSA-N -1 1 384.469 1.611 20 0 GDADMM C[C@@]1(CNc2ccc(-c3nn[n-]n3)nn2)CCN(C(=O)Cc2ccsc2)C1 ZINC001571245894 953277783 /nfs/dbraw/zinc/27/77/83/953277783.db2.gz ODMMAEQAFMKAJY-KRWDZBQOSA-N -1 1 384.469 1.611 20 0 GDADMM C[C@@H](C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)c1ccsc1 ZINC001571246142 953279880 /nfs/dbraw/zinc/27/98/80/953279880.db2.gz UXHXPPSGBUEHLF-LLVKDONJSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)c1ccsc1 ZINC001571246142 953279884 /nfs/dbraw/zinc/27/98/84/953279884.db2.gz UXHXPPSGBUEHLF-LLVKDONJSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H]1C[C@H](NC(=O)Cc2ccsc2)CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571246211 953281244 /nfs/dbraw/zinc/28/12/44/953281244.db2.gz WBFFTDBRUVKMPE-WCQYABFASA-N -1 1 384.469 1.434 20 0 GDADMM C[C@H]1C[C@H](NC(=O)Cc2ccsc2)CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571246211 953281247 /nfs/dbraw/zinc/28/12/47/953281247.db2.gz WBFFTDBRUVKMPE-WCQYABFASA-N -1 1 384.469 1.434 20 0 GDADMM C[C@H](CC1CCCCC1)C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571249134 953301994 /nfs/dbraw/zinc/30/19/94/953301994.db2.gz DQVPUKURKKGPMT-HIFRSBDPSA-N -1 1 384.488 1.698 20 0 GDADMM CC1(C)CC[C@@H]1C(=O)N1CCC[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571249398 953304401 /nfs/dbraw/zinc/30/44/01/953304401.db2.gz ICZAOTRZFGJMAJ-ZIAGYGMSSA-N -1 1 384.488 1.555 20 0 GDADMM CCC[C@H]1CCC[C@@H]1C(=O)NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571250262 953310561 /nfs/dbraw/zinc/31/05/61/953310561.db2.gz PNWFHEUUNTXYOY-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM CCC[C@H]1CCC[C@@H]1C(=O)NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571250262 953310564 /nfs/dbraw/zinc/31/05/64/953310564.db2.gz PNWFHEUUNTXYOY-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)C(C(=O)N2C[C@H](Nc3nccnc3-c3nnn[n-]3)C(C)(C)C2)C1(C)C ZINC001571250676 953312103 /nfs/dbraw/zinc/31/21/03/953312103.db2.gz SDSQZUOVURSPFI-NSHDSACASA-N -1 1 384.488 1.988 20 0 GDADMM CC1(C)C(C(=O)N2C[C@H](Nc3nccnc3-c3nn[n-]n3)C(C)(C)C2)C1(C)C ZINC001571250676 953312107 /nfs/dbraw/zinc/31/21/07/953312107.db2.gz SDSQZUOVURSPFI-NSHDSACASA-N -1 1 384.488 1.988 20 0 GDADMM CC1(C)CN(c2nccnc2-c2nnn[n-]2)C[C@@H]1NC(=O)CC1CCCCC1 ZINC001571251011 953314998 /nfs/dbraw/zinc/31/49/98/953314998.db2.gz VCBCUJZCTVTCEM-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CN(c2nccnc2-c2nn[n-]n2)C[C@@H]1NC(=O)CC1CCCCC1 ZINC001571251011 953315002 /nfs/dbraw/zinc/31/50/02/953315002.db2.gz VCBCUJZCTVTCEM-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM O=C(NC1CC2(C1)CC(Nc1ccc(-c3nnn[n-]3)nn1)C2)[C@H]1CCCCO1 ZINC001571251230 953315406 /nfs/dbraw/zinc/31/54/06/953315406.db2.gz SVQIOYKPMIZUMW-OJEVNIKRSA-N -1 1 384.444 1.065 20 0 GDADMM O=C(NC1CC2(C1)CC(Nc1ccc(-c3nn[n-]n3)nn1)C2)[C@H]1CCCCO1 ZINC001571251230 953315413 /nfs/dbraw/zinc/31/54/13/953315413.db2.gz SVQIOYKPMIZUMW-OJEVNIKRSA-N -1 1 384.444 1.065 20 0 GDADMM C[C@@H]1CN(C(=O)C2C(C)(C)C2(C)C)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571251464 953317211 /nfs/dbraw/zinc/31/72/11/953317211.db2.gz YGLNOZMPVYZIGX-VXGBXAGGSA-N -1 1 384.488 1.845 20 0 GDADMM C[C@@H]1CN(C(=O)C2C(C)(C)C2(C)C)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571251464 953317215 /nfs/dbraw/zinc/31/72/15/953317215.db2.gz YGLNOZMPVYZIGX-VXGBXAGGSA-N -1 1 384.488 1.845 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](CNC(=O)[C@H]3CCCC3(C)C)C2)n1 ZINC001571252002 953322082 /nfs/dbraw/zinc/32/20/82/953322082.db2.gz DXFTUEZLTWQPGX-UONOGXRCSA-N -1 1 384.488 1.734 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](CNC(=O)[C@H]3CCCC3(C)C)C2)n1 ZINC001571252002 953322085 /nfs/dbraw/zinc/32/20/85/953322085.db2.gz DXFTUEZLTWQPGX-UONOGXRCSA-N -1 1 384.488 1.734 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H]([C@@H](C)NC(=O)C3CCCC3)C2)n1 ZINC001571252315 953326465 /nfs/dbraw/zinc/32/64/65/953326465.db2.gz KVCZWWFVDHIADZ-HIFRSBDPSA-N -1 1 384.488 1.876 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H]([C@@H](C)NC(=O)C3CCCC3)C2)n1 ZINC001571252315 953326472 /nfs/dbraw/zinc/32/64/72/953326472.db2.gz KVCZWWFVDHIADZ-HIFRSBDPSA-N -1 1 384.488 1.876 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NCC2CC(NC(=O)C3C(C)(C)C3(C)C)C2)n1 ZINC001571252265 953326565 /nfs/dbraw/zinc/32/65/65/953326565.db2.gz JEABWRLMSKNFFC-UHFFFAOYSA-N -1 1 384.488 1.954 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NCC2CC(NC(=O)C3C(C)(C)C3(C)C)C2)n1 ZINC001571252265 953326569 /nfs/dbraw/zinc/32/65/69/953326569.db2.gz JEABWRLMSKNFFC-UHFFFAOYSA-N -1 1 384.488 1.954 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N(C)C2CCN(C(=O)C3CCCC3)CC2)n1 ZINC001571252412 953327109 /nfs/dbraw/zinc/32/71/09/953327109.db2.gz MFERRKMLVIHBNP-UHFFFAOYSA-N -1 1 384.488 1.837 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N(C)C2CCN(C(=O)C3CCCC3)CC2)n1 ZINC001571252412 953327114 /nfs/dbraw/zinc/32/71/14/953327114.db2.gz MFERRKMLVIHBNP-UHFFFAOYSA-N -1 1 384.488 1.837 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(CNC(=O)[C@H]3C[C@@H]3C(C)C)CC2)n1 ZINC001571252774 953332643 /nfs/dbraw/zinc/33/26/43/953332643.db2.gz WFAXPYAMFUSEHF-CABCVRRESA-N -1 1 384.488 1.590 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(CNC(=O)[C@H]3C[C@@H]3C(C)C)CC2)n1 ZINC001571252774 953332645 /nfs/dbraw/zinc/33/26/45/953332645.db2.gz WFAXPYAMFUSEHF-CABCVRRESA-N -1 1 384.488 1.590 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccccc1Cl ZINC001571255105 953345328 /nfs/dbraw/zinc/34/53/28/953345328.db2.gz IMCLHROBKQOFOK-LLVKDONJSA-N -1 1 384.831 1.709 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccccc1Cl ZINC001571255105 953345331 /nfs/dbraw/zinc/34/53/31/953345331.db2.gz IMCLHROBKQOFOK-LLVKDONJSA-N -1 1 384.831 1.709 20 0 GDADMM Cc1ccc(Cl)cc1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571255961 953359272 /nfs/dbraw/zinc/35/92/72/953359272.db2.gz SJZGEIQWXARRKK-LBPRGKRZSA-N -1 1 384.831 1.627 20 0 GDADMM Cc1ccc(Cl)cc1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571255961 953359276 /nfs/dbraw/zinc/35/92/76/953359276.db2.gz SJZGEIQWXARRKK-LBPRGKRZSA-N -1 1 384.831 1.627 20 0 GDADMM O=C(Cc1ccc(Cl)cc1)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571256256 953368511 /nfs/dbraw/zinc/36/85/11/953368511.db2.gz TYBJTXZTTZPIBJ-BETUJISGSA-N -1 1 384.831 1.612 20 0 GDADMM O=C(Cc1ccc(Cl)cc1)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571256256 953368518 /nfs/dbraw/zinc/36/85/18/953368518.db2.gz TYBJTXZTTZPIBJ-BETUJISGSA-N -1 1 384.831 1.612 20 0 GDADMM O=C([O-])C1CC2(C1)CC[C@@H](CNC(=O)N[C@H]1CCCN3CCSC[C@H]13)O2 ZINC001594750648 953424403 /nfs/dbraw/zinc/42/44/03/953424403.db2.gz VQBZOARPWGHMHS-WPMQWBBHSA-N -1 1 383.514 1.278 20 0 GDADMM CC(C)(CCNC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)C(=O)[O-] ZINC000424405284 953470687 /nfs/dbraw/zinc/47/06/87/953470687.db2.gz OAFNPXBUACNUNT-IAGOWNOFSA-N -1 1 377.485 1.670 20 0 GDADMM CC(C)C[C@H](CNC(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1)C(=O)[O-] ZINC000424420407 953480704 /nfs/dbraw/zinc/48/07/04/953480704.db2.gz ZRVHDXWRCCZBEB-MRXNPFEDSA-N -1 1 398.548 1.659 20 0 GDADMM C[C@H]1CCN(C(=O)NCCN2CCN(Cc3ccccc3)CC2)C[C@@H]1C(=O)[O-] ZINC000569239158 953648490 /nfs/dbraw/zinc/64/84/90/953648490.db2.gz XBEWCCWKVIIICR-HKUYNNGSSA-N -1 1 388.512 1.556 20 0 GDADMM CC(C)(C(=O)[O-])n1ccc(NC(=O)C(C[C@H]2COCCO2)C(F)(F)F)n1 ZINC000663140018 954530837 /nfs/dbraw/zinc/53/08/37/954530837.db2.gz VUODTLMJMWWYRB-VHSXEESVSA-N -1 1 379.335 1.625 20 0 GDADMM O=C([O-])C1CC2(C1)CC[C@H](CNC(=O)N1CCC(CN3CCOCC3)CC1)O2 ZINC001594905381 954670346 /nfs/dbraw/zinc/67/03/46/954670346.db2.gz NJLCNURANZQYCM-OHTSDLOESA-N -1 1 395.500 1.153 20 0 GDADMM COC(=O)C1CC2(C1)CN(CC(=O)Nc1cccc(OC)c1)C[C@H]2C(=O)[O-] ZINC001593825185 955096791 /nfs/dbraw/zinc/09/67/91/955096791.db2.gz YKGHYVBETCMGCA-IHBYNMNLSA-N -1 1 376.409 1.220 20 0 GDADMM C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)c1 ZINC000738002893 955230821 /nfs/dbraw/zinc/23/08/21/955230821.db2.gz JKTBQYXXWFCKDZ-UHFFFAOYSA-N -1 1 395.459 1.688 20 0 GDADMM CN(Cc1ccccc1)Cc1cccc(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)c1 ZINC000738002893 955230830 /nfs/dbraw/zinc/23/08/30/955230830.db2.gz JKTBQYXXWFCKDZ-UHFFFAOYSA-N -1 1 395.459 1.688 20 0 GDADMM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)Nc3cccc(C(=O)[O-])c3)cc2)[nH]1 ZINC001593855135 955491413 /nfs/dbraw/zinc/49/14/13/955491413.db2.gz WIKXAGWLMOSPKK-UHFFFAOYSA-N -1 1 395.371 1.832 20 0 GDADMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cc1cccc(F)c1 ZINC000851699665 955811342 /nfs/dbraw/zinc/81/13/42/955811342.db2.gz FRYSASVPTLVRBC-YPMHNXCESA-N -1 1 376.306 1.491 20 0 GDADMM CCCCc1nc(CN2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])no1 ZINC000852734736 955842849 /nfs/dbraw/zinc/84/28/49/955842849.db2.gz CWMGJFQDJDGHNI-BXKDBHETSA-N -1 1 378.351 1.508 20 0 GDADMM Cn1nccc1[C@H](NC(=O)c1n[nH]c2ccc(Br)cc21)C(=O)[O-] ZINC001594590328 956051467 /nfs/dbraw/zinc/05/14/67/956051467.db2.gz KFOGZOBDBNIYPX-LBPRGKRZSA-N -1 1 378.186 1.615 20 0 GDADMM O=C([O-])CC[C@H]1C[C@H](C(=O)NCCCN2CCN(c3ccccc3)CC2)CO1 ZINC000901717547 956436545 /nfs/dbraw/zinc/43/65/45/956436545.db2.gz ZLCQZBIJLJJVKD-HKUYNNGSSA-N -1 1 389.496 1.585 20 0 GDADMM CCn1cc(Cl)cc1C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000902066813 956637315 /nfs/dbraw/zinc/63/73/15/956637315.db2.gz SIHWSIPLIHNJNI-MWLCHTKSSA-N -1 1 395.765 1.898 20 0 GDADMM C[C@@H]1CN(C(=O)CCn2c(=O)c3ccccc3[nH]c2=S)CC[C@H]1C(=O)[O-] ZINC000902165321 956669922 /nfs/dbraw/zinc/66/99/22/956669922.db2.gz OFEDGJLSDBXULR-VXGBXAGGSA-N -1 1 375.450 1.645 20 0 GDADMM COC(=O)[C@@H](c1ccccc1C)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1 ZINC000903414930 956841918 /nfs/dbraw/zinc/84/19/18/956841918.db2.gz HIBIWOVAHYECOS-PLDFALSOSA-N -1 1 375.421 1.795 20 0 GDADMM O=C([O-])c1cc(S(=O)(=O)NCCN2CCCC2)ccc1Br ZINC000013311607 957018694 /nfs/dbraw/zinc/01/86/94/957018694.db2.gz XULKMDAXGVDRLZ-UHFFFAOYSA-N -1 1 377.260 1.521 20 0 GDADMM Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(N2CCOCC2)cc1C(=O)[O-] ZINC000013317573 957023122 /nfs/dbraw/zinc/02/31/22/957023122.db2.gz KKNLOSJJOAENJU-UHFFFAOYSA-N -1 1 394.453 1.373 20 0 GDADMM O=C([O-])[C@@H]1C[C@@H](NC(=O)c2nc[nH]c(=O)c2Br)c2ccccc21 ZINC001594731436 957043263 /nfs/dbraw/zinc/04/32/63/957043263.db2.gz UVCGVZAOAWRATN-NXEZZACHSA-N -1 1 378.182 1.988 20 0 GDADMM CC[C@@]1(C(=O)[O-])CCCN(C(=O)NCc2ccc(N3CCN(C)CC3)nc2)C1 ZINC001120479023 957201057 /nfs/dbraw/zinc/20/10/57/957201057.db2.gz YGEZLHFWISOQFP-HXUWFJFHSA-N -1 1 389.500 1.620 20 0 GDADMM COCCN(CCC(=O)[O-])C(=O)NCc1ccccc1N1CCN(C)CC1 ZINC001121811331 957208215 /nfs/dbraw/zinc/20/82/15/957208215.db2.gz ZBNCYWLBHQVROM-UHFFFAOYSA-N -1 1 378.473 1.071 20 0 GDADMM CN1CCN(Cc2cccc(C(=O)NCC3(C(=O)[O-])CCOCC3)c2)CC1 ZINC001261491716 957257124 /nfs/dbraw/zinc/25/71/24/957257124.db2.gz DOYHWECOFWGEJT-UHFFFAOYSA-N -1 1 375.469 1.045 20 0 GDADMM CC[C@H](CNC(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1)C(=O)[O-] ZINC001341310966 957965327 /nfs/dbraw/zinc/96/53/27/957965327.db2.gz XGVSHDCBUHHMOB-SJLPKXTDSA-N -1 1 376.501 1.775 20 0 GDADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001603233904 972358453 /nfs/dbraw/zinc/35/84/53/972358453.db2.gz BXAYCNXKANZLET-WBMJQRKESA-N -1 1 392.415 1.892 20 0 GDADMM Cc1ccc2nc([C@H]3CCCN3C(=O)[C@@H]3CCCN(CC(=O)[O-])C3=O)[nH]c2c1 ZINC001594381495 958629071 /nfs/dbraw/zinc/62/90/71/958629071.db2.gz LBGMDDVGNOFVSQ-CZUORRHYSA-N -1 1 384.436 1.858 20 0 GDADMM C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588556907 959060873 /nfs/dbraw/zinc/06/08/73/959060873.db2.gz BGWAOMYENCRSMM-OLZOCXBDSA-N -1 1 383.470 1.238 20 0 GDADMM C[C@H](C(=O)[O-])C(=O)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1 ZINC001588572595 959192062 /nfs/dbraw/zinc/19/20/62/959192062.db2.gz LWUNGWYBBCIWPW-INIZCTEOSA-N -1 1 375.469 1.195 20 0 GDADMM C[C@@H](N[C@@H](Cc1ccccc1)C(=O)[O-])C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC001573630908 959552474 /nfs/dbraw/zinc/55/24/74/959552474.db2.gz NFGMXRZKSBNBKL-NXHRZFHOSA-N -1 1 398.459 1.959 20 0 GDADMM CC[C@@H](C(=O)[O-])N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000191398898 959558391 /nfs/dbraw/zinc/55/83/91/959558391.db2.gz MCHFDYQSMDBPKV-AWEZNQCLSA-N -1 1 376.844 1.871 20 0 GDADMM C[C@@H]1C[N@H+](Cc2ccc(CN(C)C(=O)c3cc(C(=O)[O-])n[n-]3)cc2)C[C@H](C)O1 ZINC001594245987 959570045 /nfs/dbraw/zinc/57/00/45/959570045.db2.gz QDWDUSNLTJFLMX-OKILXGFUSA-N -1 1 386.452 1.989 20 0 GDADMM C[C@@H]1CN(Cc2ccc(CN(C)C(=O)c3cc(C(=O)[O-])n[nH]3)cc2)C[C@H](C)O1 ZINC001594245987 959570077 /nfs/dbraw/zinc/57/00/77/959570077.db2.gz QDWDUSNLTJFLMX-OKILXGFUSA-N -1 1 386.452 1.989 20 0 GDADMM Cc1nc(CNS(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)n[nH]1 ZINC000392416637 972483800 /nfs/dbraw/zinc/48/38/00/972483800.db2.gz YXEVJNKSIWQGCE-UHFFFAOYSA-N -1 1 375.204 1.052 20 0 GDADMM CNS(=O)(=O)c1ccc(NS(=O)(=O)c2c(C)csc2C(=O)[O-])cc1 ZINC000392428846 972484928 /nfs/dbraw/zinc/48/49/28/972484928.db2.gz NTZDJADATOMYQL-UHFFFAOYSA-N -1 1 390.464 1.464 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@H](c2[nH]ncc2C(=O)N2CC[C@H](C(=O)[O-])C2)C1 ZINC001588684943 960623082 /nfs/dbraw/zinc/62/30/82/960623082.db2.gz BCQPINJGUZTFDQ-RYUDHWBXSA-N -1 1 378.429 1.681 20 0 GDADMM CC(C)(C)OC(=O)N1CCCC[C@]12CCN([C@H]1CCN(CC(=O)[O-])C1=O)C2 ZINC001588689554 960699699 /nfs/dbraw/zinc/69/96/99/960699699.db2.gz KHVTUYWLOKYQBO-IFXJQAMLSA-N -1 1 381.473 1.537 20 0 GDADMM CC(C)(C)OC(=O)N1CCN(C2CCC(NC(=O)CCC(=O)[O-])CC2)CC1 ZINC001588693876 960744608 /nfs/dbraw/zinc/74/46/08/960744608.db2.gz JJDHSVZDXTXAJM-UHFFFAOYSA-N -1 1 383.489 1.831 20 0 GDADMM O=C([O-])[C@]1(N2CCN(Cc3cnn(Cc4ccc(F)cc4)c3)CC2)CCOC1 ZINC001328690955 961219529 /nfs/dbraw/zinc/21/95/29/961219529.db2.gz ZBMMXLKKGKPQDP-FQEVSTJZSA-N -1 1 388.443 1.432 20 0 GDADMM O=C([O-])[C@@]1(N2CCN(Cc3ccc(OCC(F)(F)F)nc3)CC2)CCOC1 ZINC001329207436 961246877 /nfs/dbraw/zinc/24/68/77/961246877.db2.gz HOEOXESEESLEEJ-MRXNPFEDSA-N -1 1 389.374 1.384 20 0 GDADMM CC(=O)c1cccc(OC[C@@H](O)CN2CCC(n3cc(C(=O)[O-])nn3)CC2)c1 ZINC001329863533 961317276 /nfs/dbraw/zinc/31/72/76/961317276.db2.gz WXKGTIOLAFRESB-INIZCTEOSA-N -1 1 388.424 1.256 20 0 GDADMM Cc1nn(CC(=O)OC(C)C)c(C)c1CN[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001574435177 961399365 /nfs/dbraw/zinc/39/93/65/961399365.db2.gz WRTWQSREQOWQGN-MRXNPFEDSA-N -1 1 394.472 1.007 20 0 GDADMM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(C(=O)c3cccc4[nH]c(CO)nc43)C2)cn1 ZINC001574453320 961484773 /nfs/dbraw/zinc/48/47/73/961484773.db2.gz FIUWMAOPGXXNME-VXGBXAGGSA-N -1 1 383.408 1.119 20 0 GDADMM C[C@](CC(=O)[O-])(NC(=O)CCN1CCN(c2ccccn2)CC1)c1ccccn1 ZINC001332207788 961534797 /nfs/dbraw/zinc/53/47/97/961534797.db2.gz 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20 0 GDADMM COc1ccc(NC(=O)N[C@H](C)[C@@H](CO)SC)cc1[N-]S(C)(=O)=O ZINC000265774835 531285880 /nfs/dbraw/zinc/28/58/80/531285880.db2.gz GAJQFCBQTCOTBK-NOZJJQNGSA-N -1 1 377.488 1.301 20 0 GDADMM CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436517807 531281101 /nfs/dbraw/zinc/28/11/01/531281101.db2.gz OZODNAWAIKGMGV-BXKDBHETSA-N -1 1 380.388 1.859 20 0 GDADMM O=S(=O)(C[C@@H]1CCCCO1)[N-]c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000524850470 531281929 /nfs/dbraw/zinc/28/19/29/531281929.db2.gz QDITZYHFSQAMQC-HNNXBMFYSA-N -1 1 388.511 1.782 20 0 GDADMM CCc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCC[C@H]2CC)c1C ZINC000349514004 531282164 /nfs/dbraw/zinc/28/21/64/531282164.db2.gz YRIPUPVDTMIGID-CYBMUJFWSA-N -1 1 392.547 1.617 20 0 GDADMM O=C(N[C@@H]1CN(c2ccc(Br)cc2)C1=O)C(=O)c1ccc([O-])cc1 ZINC000436748981 531283580 /nfs/dbraw/zinc/28/35/80/531283580.db2.gz XBFUCIJMTGFXGI-CQSZACIVSA-N -1 1 389.205 1.869 20 0 GDADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(Cl)c(O)c(OC)c2)c1 ZINC000436814706 531285084 /nfs/dbraw/zinc/28/50/84/531285084.db2.gz LGMSIUBQRDANJR-UHFFFAOYSA-N -1 1 386.813 1.920 20 0 GDADMM CC(C)(NC(=O)c1cnn(-c2cccc(Br)c2)c1)c1nn[n-]n1 ZINC000475014393 531288500 /nfs/dbraw/zinc/28/85/00/531288500.db2.gz KTOVLAFKQXFAPC-UHFFFAOYSA-N -1 1 376.218 1.813 20 0 GDADMM O=C(NCCNS(=O)(=O)c1ccc(Cl)s1)C(=O)c1ccc([O-])cc1 ZINC000436967675 531288528 /nfs/dbraw/zinc/28/85/28/531288528.db2.gz RCKLUKVSRCADKG-UHFFFAOYSA-N -1 1 388.854 1.385 20 0 GDADMM C[C@H]1CN(C(=O)c2cc(I)ccc2[O-])CC[S@]1=O ZINC000436924986 531288812 /nfs/dbraw/zinc/28/88/12/531288812.db2.gz YMYXEWKRQWSIOK-DCXZOGHSSA-N -1 1 379.219 1.590 20 0 GDADMM C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NC(C)(C)c1nn[n-]n1 ZINC000475019622 531289220 /nfs/dbraw/zinc/28/92/20/531289220.db2.gz VUOACLPIAFPPHZ-LURJTMIESA-N -1 1 387.263 1.194 20 0 GDADMM CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)c1cc(Cl)ccc1[O-] ZINC000437000677 531290618 /nfs/dbraw/zinc/29/06/18/531290618.db2.gz APLBMGGTBOGOHT-UHFFFAOYSA-N -1 1 384.841 1.844 20 0 GDADMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(OC)c2)cc1C ZINC000475804219 531305181 /nfs/dbraw/zinc/30/51/81/531305181.db2.gz AGCOKLHFABHHCG-UHFFFAOYSA-N -1 1 388.442 1.852 20 0 GDADMM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CCC[C@@H]3C[C@@H]32)c1C ZINC000349537482 531306987 /nfs/dbraw/zinc/30/69/87/531306987.db2.gz QQHFJWYIVRUVDQ-RDBSUJKOSA-N -1 1 390.531 1.266 20 0 GDADMM CCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cc(-c2ccc(C)o2)[nH]n1 ZINC000349530281 531298345 /nfs/dbraw/zinc/29/83/45/531298345.db2.gz CAPUFMXMJHJQHQ-UHFFFAOYSA-N -1 1 390.487 1.391 20 0 GDADMM COC(=O)Cn1cc(S(=O)(=O)[N-]c2cc(Br)ccc2F)cn1 ZINC000438769516 531309192 /nfs/dbraw/zinc/30/91/92/531309192.db2.gz HIQFTGWNCMANPF-UHFFFAOYSA-N -1 1 392.206 1.759 20 0 GDADMM CC(C)[C@@]1(C)C[C@@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(F)cn1 ZINC000349537828 531308210 /nfs/dbraw/zinc/30/82/10/531308210.db2.gz QXZFQICNUDDMRA-DZGCQCFKSA-N -1 1 393.506 1.707 20 0 GDADMM CCc1cccnc1[N-]S(=O)(=O)CCCS(=O)(=O)NC1CC(C)C1 ZINC000349547225 531318256 /nfs/dbraw/zinc/31/82/56/531318256.db2.gz CVUBKZIENGUSTB-UHFFFAOYSA-N -1 1 375.516 1.494 20 0 GDADMM Cc1cccc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCC2(C)C)n1 ZINC000349549267 531319975 /nfs/dbraw/zinc/31/99/75/531319975.db2.gz YQLJTSMNUGGALZ-CYBMUJFWSA-N -1 1 375.516 1.630 20 0 GDADMM CCc1nc(C)c(C[N-]S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)o1 ZINC000291876903 531320129 /nfs/dbraw/zinc/32/01/29/531320129.db2.gz GNJMERUWZXDEGY-UHFFFAOYSA-N -1 1 387.483 1.274 20 0 GDADMM Cc1cc(C)nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000349543303 531314236 /nfs/dbraw/zinc/31/42/36/531314236.db2.gz OGBIMAUPDUEYQU-FOLVSLTJSA-N -1 1 387.527 1.548 20 0 GDADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)CCOCC(F)(F)C(F)F)c1 ZINC000291890102 531321018 /nfs/dbraw/zinc/32/10/18/531321018.db2.gz HZCOMYCCMOXJCQ-UHFFFAOYSA-N -1 1 388.339 1.546 20 0 GDADMM Cc1nnc(CCNC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)s1 ZINC000292154790 531337678 /nfs/dbraw/zinc/33/76/78/531337678.db2.gz ZBZPUKVULHONTH-SNVBAGLBSA-N -1 1 379.408 1.489 20 0 GDADMM CO[C@H]1CC[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2ccc(C)cn2)C1 ZINC000349559824 531332002 /nfs/dbraw/zinc/33/20/02/531332002.db2.gz XQGJBYNVPGAMQP-KBPBESRZSA-N -1 1 391.515 1.009 20 0 GDADMM CO[C@@H]1C[C@@H](NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1(C)C ZINC000440388116 531336201 /nfs/dbraw/zinc/33/62/01/531336201.db2.gz WKLFKDMQAYYYGN-CHWSQXEVSA-N -1 1 380.463 1.289 20 0 GDADMM Cc1c([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCC2)n[nH]c1C(C)C ZINC000349573879 531350125 /nfs/dbraw/zinc/35/01/25/531350125.db2.gz KPKCAUDCEHMSFW-UHFFFAOYSA-N -1 1 378.520 1.399 20 0 GDADMM Cc1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCCCC2)nc1 ZINC000349567876 531341662 /nfs/dbraw/zinc/34/16/62/531341662.db2.gz RNERVCFAKZSRBI-UHFFFAOYSA-N -1 1 375.516 1.728 20 0 GDADMM Cc1cc(C)nc([N-]S(=O)(=O)CCCS(=O)(=O)NC2CCCC2)c1 ZINC000349568744 531342088 /nfs/dbraw/zinc/34/20/88/531342088.db2.gz AEMSHYMDPSUYTI-UHFFFAOYSA-N -1 1 375.516 1.692 20 0 GDADMM CC1(C)CC[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2ccc(F)cn2)C1 ZINC000349585669 531359821 /nfs/dbraw/zinc/35/98/21/531359821.db2.gz ZSTHLOHXNBFZCH-ZDUSSCGKSA-N -1 1 393.506 1.851 20 0 GDADMM Cc1cccc([N-]S(=O)(=O)CCCCS(=O)(=O)N[C@@H]2CC[C@H](F)C2)n1 ZINC000349585269 531360050 /nfs/dbraw/zinc/36/00/50/531360050.db2.gz LRFHYCJLCKOKFH-UONOGXRCSA-N -1 1 393.506 1.722 20 0 GDADMM O=S(=O)([N-]C[C@H](O)[C@H]1CCCO1)c1cc(Br)sc1Cl ZINC000528481925 531360399 /nfs/dbraw/zinc/36/03/99/531360399.db2.gz AVPYWTCTCDCSHY-NKWVEPMBSA-N -1 1 390.708 1.982 20 0 GDADMM Cc1ccnc([N-]S(=O)(=O)CCCCS(=O)(=O)N[C@@H]2CC[C@@H](F)C2)c1 ZINC000349578828 531353616 /nfs/dbraw/zinc/35/36/16/531353616.db2.gz BZZBKTBFBWAADW-ZIAGYGMSSA-N -1 1 393.506 1.722 20 0 GDADMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)c1cc(CC(C)C)c[nH]1 ZINC000412232692 531360910 /nfs/dbraw/zinc/36/09/10/531360910.db2.gz NXNBGVJAUGAWMG-UHFFFAOYSA-N -1 1 386.499 1.392 20 0 GDADMM CC(C)N(C)S(=O)(=O)CCCCS(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC000349587641 531361969 /nfs/dbraw/zinc/36/19/69/531361969.db2.gz NOEDMOVHDGUVSL-UHFFFAOYSA-N -1 1 383.923 1.927 20 0 GDADMM COC(=O)c1sc(S(=O)(=O)[N-]C[C@H](O)C(F)(F)F)c(C)c1Cl ZINC000278644847 531375956 /nfs/dbraw/zinc/37/59/56/531375956.db2.gz DQFJDHVHCBCBQL-YFKPBYRVSA-N -1 1 381.781 1.698 20 0 GDADMM CC(C)(C)C(C)(C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1ccccn1 ZINC000349593318 531368931 /nfs/dbraw/zinc/36/89/31/531368931.db2.gz PCLPIIHGUKDYDE-UHFFFAOYSA-N -1 1 377.532 1.958 20 0 GDADMM O=S(=O)(CCCCS(=O)(=O)N1CC[C@H](F)C1)[N-]c1ccc(Cl)cn1 ZINC000349593717 531369507 /nfs/dbraw/zinc/36/95/07/531369507.db2.gz SPQFMMZLEGUVQN-LBPRGKRZSA-N -1 1 399.897 1.631 20 0 GDADMM C[C@@]1(CNC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCC(=O)N1 ZINC000412420290 531370578 /nfs/dbraw/zinc/37/05/78/531370578.db2.gz HRURIXFIQVCYPN-AWEZNQCLSA-N -1 1 394.280 1.057 20 0 GDADMM CCOCCOC[C@@H](O)C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000480635004 531372645 /nfs/dbraw/zinc/37/26/45/531372645.db2.gz APXUVKKMNYFUFO-VIFPVBQESA-N -1 1 390.260 1.825 20 0 GDADMM CCc1ccccc1CC(=O)NCC[N-]S(=O)(=O)c1sc(=O)[nH]c1C ZINC000443058490 531384699 /nfs/dbraw/zinc/38/46/99/531384699.db2.gz NOHWVXBQPQIIKI-UHFFFAOYSA-N -1 1 383.495 1.357 20 0 GDADMM COC[C@H]([N-]S(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1)c1ccco1 ZINC000267012316 531386843 /nfs/dbraw/zinc/38/68/43/531386843.db2.gz IEDMKUUEKXLEBW-LBPRGKRZSA-N -1 1 377.415 1.488 20 0 GDADMM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCCC[C@@H]2C)c1C ZINC000349605471 531387742 /nfs/dbraw/zinc/38/77/42/531387742.db2.gz RDUCUNLVSVZIHB-SMDDNHRTSA-N -1 1 392.547 1.656 20 0 GDADMM CC[C@H]1CCN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2cc(C)ccn2)C1 ZINC000349608995 531394276 /nfs/dbraw/zinc/39/42/76/531394276.db2.gz HLVGTJPQXIBEIL-HNNXBMFYSA-N -1 1 389.543 1.974 20 0 GDADMM [NH3+]CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F)C(=O)[O-] ZINC000530354305 531394380 /nfs/dbraw/zinc/39/43/80/531394380.db2.gz ZNEZDQNUUQNIPN-QMMMGPOBSA-N -1 1 389.630 1.322 20 0 GDADMM Cc1[nH]nc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CC=C(C)CC2)c1C ZINC000349601287 531381140 /nfs/dbraw/zinc/38/11/40/531381140.db2.gz OBYSRNDUFOEQTO-UHFFFAOYSA-N -1 1 390.531 1.530 20 0 GDADMM Cn1cc(S(=O)(=O)[N-]C2(C(N)=O)CCC(C)(C)CC2)c(C(F)(F)F)n1 ZINC000293065821 531399045 /nfs/dbraw/zinc/39/90/45/531399045.db2.gz LLXSHIIDTHOOBP-UHFFFAOYSA-N -1 1 382.408 1.542 20 0 GDADMM Cc1ccc(-c2cc([N-]S(=O)(=O)c3cccc(S(N)(=O)=O)c3)[nH]n2)o1 ZINC000446639178 531409877 /nfs/dbraw/zinc/40/98/77/531409877.db2.gz RCCFFZNXWSWSOL-UHFFFAOYSA-N -1 1 382.423 1.426 20 0 GDADMM CC(C)OCCS(=O)(=O)[N-]c1ccc(C(=O)N2CCOCC2)c(Cl)c1 ZINC000267353509 531420804 /nfs/dbraw/zinc/42/08/04/531420804.db2.gz RGMNUOTVRYWABA-UHFFFAOYSA-N -1 1 390.889 1.979 20 0 GDADMM COC(=O)c1nscc1S(=O)(=O)[N-]c1cccc(F)c1-c1nc[nH]n1 ZINC000447257438 531423999 /nfs/dbraw/zinc/42/39/99/531423999.db2.gz AJJAUGCITMXLPV-UHFFFAOYSA-N -1 1 383.386 1.655 20 0 GDADMM NC(=O)CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000485108853 531428397 /nfs/dbraw/zinc/42/83/97/531428397.db2.gz ZVVJYCUYQTWXIM-UHFFFAOYSA-N -1 1 381.841 1.746 20 0 GDADMM Cc1csc(CS(=O)(=O)c2nc(-c3ccc4c(c3)OCCO4)n[n-]2)n1 ZINC000447496568 531430040 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COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2)ccc1OC ZINC000476146211 598840832 /nfs/dbraw/zinc/84/08/32/598840832.db2.gz JIVUPLSVPHLBKC-UHFFFAOYSA-N -1 1 389.393 1.463 20 0 GDADMM O=S(=O)([N-]c1ccc(O[C@H]2CCOC2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000738343384 598845588 /nfs/dbraw/zinc/84/55/88/598845588.db2.gz YAYXPTXKIHSPNC-HNNXBMFYSA-N -1 1 387.421 1.835 20 0 GDADMM Cn1cc([C@H]2CCCN2S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cn1 ZINC000737605302 598845843 /nfs/dbraw/zinc/84/58/43/598845843.db2.gz MBBPSEJZBBLVPJ-GFCCVEGCSA-N -1 1 377.405 1.265 20 0 GDADMM Cn1cc([C@H]2CCCN2S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cn1 ZINC000737605302 598845845 /nfs/dbraw/zinc/84/58/45/598845845.db2.gz MBBPSEJZBBLVPJ-GFCCVEGCSA-N -1 1 377.405 1.265 20 0 GDADMM O=S(=O)([N-]c1ccn(-c2ccncc2)n1)c1ccc(-c2nn[nH]n2)cc1F ZINC000738342120 598846012 /nfs/dbraw/zinc/84/60/12/598846012.db2.gz LJZNDNRGSHGHBH-UHFFFAOYSA-N -1 1 386.372 1.387 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(Nc2ccc(COC3CCCC3)cc2)n(C)c1=O ZINC000737597680 598858880 /nfs/dbraw/zinc/85/88/80/598858880.db2.gz UFFUQOGPCNXOIH-UHFFFAOYSA-N -1 1 397.439 1.467 20 0 GDADMM O=C1Cc2cc([N-]S(=O)(=O)c3ccc(-c4nn[nH]n4)c(Cl)c3)ccc2N1 ZINC000738316990 598867470 /nfs/dbraw/zinc/86/74/70/598867470.db2.gz XSNJXARSUSJWQQ-UHFFFAOYSA-N -1 1 390.812 1.816 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCN(CC(F)F)CC1 ZINC000738354047 598874555 /nfs/dbraw/zinc/87/45/55/598874555.db2.gz GUSIUAWIVAMBKW-UHFFFAOYSA-N -1 1 392.819 1.092 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCN(CC(F)F)CC1 ZINC000738354047 598874556 /nfs/dbraw/zinc/87/45/56/598874556.db2.gz GUSIUAWIVAMBKW-UHFFFAOYSA-N -1 1 392.819 1.092 20 0 GDADMM Cc1cc(C)n(C2CN(C(=O)CCc3c(C)[nH]c(=O)c(-c4nn[n-]n4)c3C)C2)n1 ZINC000737256298 598893125 /nfs/dbraw/zinc/89/31/25/598893125.db2.gz LNAYGZGDYQIKIR-UHFFFAOYSA-N -1 1 396.455 1.414 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCc2cc(C(C)C)no2)cc1-c1nn[n-]n1 ZINC000737187249 598922248 /nfs/dbraw/zinc/92/22/48/598922248.db2.gz PDSAWYJSNUNDGE-UHFFFAOYSA-N -1 1 375.414 1.731 20 0 GDADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc2oc(=O)n(C)c2c1 ZINC000737301756 598931895 /nfs/dbraw/zinc/93/18/95/598931895.db2.gz SEHIWDNZJKGLEP-UHFFFAOYSA-N -1 1 386.393 1.421 20 0 GDADMM COc1ccc(OC)c([C@@H](O)CNc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000737109745 598937072 /nfs/dbraw/zinc/93/70/72/598937072.db2.gz UAABUHQUDLVFHR-HNNXBMFYSA-N -1 1 393.407 1.973 20 0 GDADMM COc1ccc(OC)c([C@@H](O)CNc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000737109745 598937074 /nfs/dbraw/zinc/93/70/74/598937074.db2.gz UAABUHQUDLVFHR-HNNXBMFYSA-N -1 1 393.407 1.973 20 0 GDADMM CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)c1 ZINC000736577106 598946791 /nfs/dbraw/zinc/94/67/91/598946791.db2.gz BLZWBDZLBZQMEL-UHFFFAOYSA-N -1 1 386.437 1.726 20 0 GDADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1cccc(C(=O)N(C)C)c1 ZINC000737224868 598947399 /nfs/dbraw/zinc/94/73/99/598947399.db2.gz ITRPYLRZBGJPMN-UHFFFAOYSA-N -1 1 386.437 1.678 20 0 GDADMM Cc1cccc(OC[C@H](O)CNc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000737400355 598962351 /nfs/dbraw/zinc/96/23/51/598962351.db2.gz AIYIWKXXPAOPED-CYBMUJFWSA-N -1 1 377.408 1.970 20 0 GDADMM Cc1cccc(OC[C@H](O)CNc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000737400355 598962353 /nfs/dbraw/zinc/96/23/53/598962353.db2.gz AIYIWKXXPAOPED-CYBMUJFWSA-N -1 1 377.408 1.970 20 0 GDADMM Cc1c([N-]S(=O)(=O)c2cccc(C(=O)N(C)C)c2)cccc1-c1nn[nH]n1 ZINC000822129081 607255848 /nfs/dbraw/zinc/25/58/48/607255848.db2.gz HNYHBMFOTMTFLB-UHFFFAOYSA-N -1 1 386.437 1.678 20 0 GDADMM O=C1CCCCN1[C@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000738303516 598969944 /nfs/dbraw/zinc/96/99/44/598969944.db2.gz RDTGXVIFJRWHCX-ZDUSSCGKSA-N -1 1 378.440 1.791 20 0 GDADMM O=C1CCCCN1[C@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000738303516 598969946 /nfs/dbraw/zinc/96/99/46/598969946.db2.gz RDTGXVIFJRWHCX-ZDUSSCGKSA-N -1 1 378.440 1.791 20 0 GDADMM O=C([C@@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1)N1CCCC1 ZINC000737792473 598970126 /nfs/dbraw/zinc/97/01/26/598970126.db2.gz QHLPZKHROLJYTQ-CYBMUJFWSA-N -1 1 378.440 1.649 20 0 GDADMM O=C([C@@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1)N1CCCC1 ZINC000737792473 598970127 /nfs/dbraw/zinc/97/01/27/598970127.db2.gz QHLPZKHROLJYTQ-CYBMUJFWSA-N -1 1 378.440 1.649 20 0 GDADMM Cn1ccnc1[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1F ZINC000737616112 598985529 /nfs/dbraw/zinc/98/55/29/598985529.db2.gz NXZRJTUFJZVLQT-OAHLLOKOSA-N -1 1 378.371 1.654 20 0 GDADMM Cn1ccnc1[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1F ZINC000737616112 598985531 /nfs/dbraw/zinc/98/55/31/598985531.db2.gz NXZRJTUFJZVLQT-OAHLLOKOSA-N -1 1 378.371 1.654 20 0 GDADMM O=C(NCc1ccccc1CN1CCCC1=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738115940 598988299 /nfs/dbraw/zinc/98/82/99/598988299.db2.gz GGBOGDYAZQCXNR-UHFFFAOYSA-N -1 1 377.408 1.314 20 0 GDADMM O=C(NCc1ccccc1CN1CCCC1=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738115940 598988300 /nfs/dbraw/zinc/98/83/00/598988300.db2.gz GGBOGDYAZQCXNR-UHFFFAOYSA-N -1 1 377.408 1.314 20 0 GDADMM O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738160954 598988421 /nfs/dbraw/zinc/98/84/21/598988421.db2.gz WVOBVEQRKVTDCR-UHFFFAOYSA-N -1 1 377.364 1.163 20 0 GDADMM O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738160954 598988422 /nfs/dbraw/zinc/98/84/22/598988422.db2.gz WVOBVEQRKVTDCR-UHFFFAOYSA-N -1 1 377.364 1.163 20 0 GDADMM Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)nc1 ZINC000737357163 598994548 /nfs/dbraw/zinc/99/45/48/598994548.db2.gz VXWRYCYPYXYOMT-UHFFFAOYSA-N -1 1 392.423 1.456 20 0 GDADMM Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)nc1 ZINC000737357163 598994550 /nfs/dbraw/zinc/99/45/50/598994550.db2.gz VXWRYCYPYXYOMT-UHFFFAOYSA-N -1 1 392.423 1.456 20 0 GDADMM O=C(Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738174832 599002970 /nfs/dbraw/zinc/00/29/70/599002970.db2.gz MUNMWXYXVNUURD-UHFFFAOYSA-N -1 1 389.375 1.520 20 0 GDADMM O=C(Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738174832 599002971 /nfs/dbraw/zinc/00/29/71/599002971.db2.gz MUNMWXYXVNUURD-UHFFFAOYSA-N -1 1 389.375 1.520 20 0 GDADMM CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736554986 599003039 /nfs/dbraw/zinc/00/30/39/599003039.db2.gz IHLCXNSXYVNSKX-UHFFFAOYSA-N -1 1 379.424 1.626 20 0 GDADMM CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736554986 599003041 /nfs/dbraw/zinc/00/30/41/599003041.db2.gz IHLCXNSXYVNSKX-UHFFFAOYSA-N -1 1 379.424 1.626 20 0 GDADMM CCc1cc(N2CCC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)nc3)C2)ncn1 ZINC000736675371 599006240 /nfs/dbraw/zinc/00/62/40/599006240.db2.gz KLMQMUMSRYXSAG-CQSZACIVSA-N -1 1 379.428 1.013 20 0 GDADMM CCc1cc(N2CCC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)nc3)C2)ncn1 ZINC000736675371 599006242 /nfs/dbraw/zinc/00/62/42/599006242.db2.gz KLMQMUMSRYXSAG-CQSZACIVSA-N -1 1 379.428 1.013 20 0 GDADMM COC(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c(OC(F)F)c1 ZINC000736947787 599006286 /nfs/dbraw/zinc/00/62/86/599006286.db2.gz FRKMFFKCVKPSCW-UHFFFAOYSA-N -1 1 390.306 1.902 20 0 GDADMM COC(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c(OC(F)F)c1 ZINC000736947787 599006288 /nfs/dbraw/zinc/00/62/88/599006288.db2.gz FRKMFFKCVKPSCW-UHFFFAOYSA-N -1 1 390.306 1.902 20 0 GDADMM O=C(COC(=O)C1CC=CC1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000737909673 599018173 /nfs/dbraw/zinc/01/81/73/599018173.db2.gz UVOHXSULVSSJEM-UHFFFAOYSA-N -1 1 379.380 1.500 20 0 GDADMM O=C(COC(=O)C1CC=CC1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737909673 599018175 /nfs/dbraw/zinc/01/81/75/599018175.db2.gz UVOHXSULVSSJEM-UHFFFAOYSA-N -1 1 379.380 1.500 20 0 GDADMM Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)s1 ZINC000737309122 599023805 /nfs/dbraw/zinc/02/38/05/599023805.db2.gz OLWIPHTVBRSPRO-UHFFFAOYSA-N -1 1 383.437 1.230 20 0 GDADMM Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)s1 ZINC000737309122 599023807 /nfs/dbraw/zinc/02/38/07/599023807.db2.gz OLWIPHTVBRSPRO-UHFFFAOYSA-N -1 1 383.437 1.230 20 0 GDADMM Cc1nc(CN2CCCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)cs1 ZINC000737478911 599030460 /nfs/dbraw/zinc/03/04/60/599030460.db2.gz VKERKXFUVQWEPG-UHFFFAOYSA-N -1 1 384.469 1.375 20 0 GDADMM Cc1nc(CN2CCCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)cs1 ZINC000737478911 599030461 /nfs/dbraw/zinc/03/04/61/599030461.db2.gz VKERKXFUVQWEPG-UHFFFAOYSA-N -1 1 384.469 1.375 20 0 GDADMM CN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736749205 599030913 /nfs/dbraw/zinc/03/09/13/599030913.db2.gz NUHBJYBTLYAGFL-UHFFFAOYSA-N -1 1 387.444 1.733 20 0 GDADMM CN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736749205 599030915 /nfs/dbraw/zinc/03/09/15/599030915.db2.gz NUHBJYBTLYAGFL-UHFFFAOYSA-N -1 1 387.444 1.733 20 0 GDADMM COC(=O)c1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c(OC)c(OC)c1 ZINC000736950702 599093980 /nfs/dbraw/zinc/09/39/80/599093980.db2.gz MLIUBRMEHYAIKZ-UHFFFAOYSA-N -1 1 384.352 1.318 20 0 GDADMM COC(=O)c1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c(OC)c(OC)c1 ZINC000736950702 599093983 /nfs/dbraw/zinc/09/39/83/599093983.db2.gz MLIUBRMEHYAIKZ-UHFFFAOYSA-N -1 1 384.352 1.318 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCN(c2ccc3ccccc3n2)CC1 ZINC000738259829 599107876 /nfs/dbraw/zinc/10/78/76/599107876.db2.gz WPUSFQKKAINKMR-UHFFFAOYSA-N -1 1 386.419 1.772 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCN(c2ccc3ccccc3n2)CC1 ZINC000738259829 599107878 /nfs/dbraw/zinc/10/78/78/599107878.db2.gz WPUSFQKKAINKMR-UHFFFAOYSA-N -1 1 386.419 1.772 20 0 GDADMM O=C(OCc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738232227 599137997 /nfs/dbraw/zinc/13/79/97/599137997.db2.gz JRJGLZPGEMNQPH-UHFFFAOYSA-N -1 1 395.347 1.615 20 0 GDADMM O=C(OCc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738232227 599138000 /nfs/dbraw/zinc/13/80/00/599138000.db2.gz JRJGLZPGEMNQPH-UHFFFAOYSA-N -1 1 395.347 1.615 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)N1CCSc2ccccc21 ZINC000738218926 599139480 /nfs/dbraw/zinc/13/94/80/599139480.db2.gz IWSJDJRIKHATJJ-UHFFFAOYSA-N -1 1 382.405 1.557 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)N1CCSc2ccccc21 ZINC000738218926 599139481 /nfs/dbraw/zinc/13/94/81/599139481.db2.gz IWSJDJRIKHATJJ-UHFFFAOYSA-N -1 1 382.405 1.557 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)Nc1ncc(Cl)cc1Cl ZINC000737907653 599141719 /nfs/dbraw/zinc/14/17/19/599141719.db2.gz FXIPZRYORDMUKM-UHFFFAOYSA-N -1 1 394.178 1.759 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)Nc1ncc(Cl)cc1Cl ZINC000737907653 599141721 /nfs/dbraw/zinc/14/17/21/599141721.db2.gz FXIPZRYORDMUKM-UHFFFAOYSA-N -1 1 394.178 1.759 20 0 GDADMM Cc1ccc([C@@H](NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)C2CC2)cc1 ZINC000737320609 599143642 /nfs/dbraw/zinc/14/36/42/599143642.db2.gz SAFPUDXDKDHMDD-GOSISDBHSA-N -1 1 392.419 1.994 20 0 GDADMM Cc1ccc([C@@H](NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)C2CC2)cc1 ZINC000737320609 599143645 /nfs/dbraw/zinc/14/36/45/599143645.db2.gz SAFPUDXDKDHMDD-GOSISDBHSA-N -1 1 392.419 1.994 20 0 GDADMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)c1ccc(SC(F)(F)F)cc1 ZINC000739605682 596907989 /nfs/dbraw/zinc/90/79/89/596907989.db2.gz FCVBVZFCMAGEHR-UHFFFAOYSA-N -1 1 386.417 1.935 20 0 GDADMM O=C([O-])[C@@H]1CC(C(=O)Nc2nc(-c3ccccn3)n[nH]2)=NN1c1ccccc1 ZINC000740478526 596966163 /nfs/dbraw/zinc/96/61/63/596966163.db2.gz SJUDWDQWBBAMJV-AWEZNQCLSA-N -1 1 377.364 1.525 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCOC[C@@H]1c1ccccc1 ZINC000823600198 599235259 /nfs/dbraw/zinc/23/52/59/599235259.db2.gz DDERSUHUMJBPLL-MRXNPFEDSA-N -1 1 389.412 1.768 20 0 GDADMM O=C([C@@H]1Cc2ccccc21)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000737790150 599239060 /nfs/dbraw/zinc/23/90/60/599239060.db2.gz FHWRHOZMZKKDBC-OAHLLOKOSA-N -1 1 391.435 1.721 20 0 GDADMM C[C@@H](NC(=O)CNC(=O)CN1CCC[C@@H](CC(=O)[O-])C1)c1ccc(F)cc1 ZINC000532881134 597069761 /nfs/dbraw/zinc/06/97/61/597069761.db2.gz IQZMKSPHVHSUKJ-KGLIPLIRSA-N -1 1 379.432 1.306 20 0 GDADMM CCS(=O)(=O)N1CCC(Nc2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000736659132 599264239 /nfs/dbraw/zinc/26/42/39/599264239.db2.gz OSKJPEFHFPACTJ-UHFFFAOYSA-N -1 1 387.469 1.641 20 0 GDADMM CCS(=O)(=O)N1CCC(Nc2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000736659132 599264241 /nfs/dbraw/zinc/26/42/41/599264241.db2.gz OSKJPEFHFPACTJ-UHFFFAOYSA-N -1 1 387.469 1.641 20 0 GDADMM NC(=O)c1ccc(N2CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)cc1 ZINC000737760656 599270080 /nfs/dbraw/zinc/27/00/80/599270080.db2.gz PTVSJCDJMMSSTO-UHFFFAOYSA-N -1 1 384.831 1.341 20 0 GDADMM NC(=O)c1ccc(N2CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)cc1 ZINC000737760656 599270083 /nfs/dbraw/zinc/27/00/83/599270083.db2.gz PTVSJCDJMMSSTO-UHFFFAOYSA-N -1 1 384.831 1.341 20 0 GDADMM CC(=O)NCCN(C(=O)c1cc(-c2ccccc2Cl)[nH]n1)[C@@H](C)C(=O)[O-] ZINC000262276191 597690852 /nfs/dbraw/zinc/69/08/52/597690852.db2.gz VVKLDBLSRXGSHL-JTQLQIEISA-N -1 1 378.816 1.782 20 0 GDADMM C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820220076 607333169 /nfs/dbraw/zinc/33/31/69/607333169.db2.gz MUIIGIQUWRPGJB-ZBEGNZNMSA-N -1 1 386.437 1.274 20 0 GDADMM C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820220076 607333170 /nfs/dbraw/zinc/33/31/70/607333170.db2.gz MUIIGIQUWRPGJB-ZBEGNZNMSA-N -1 1 386.437 1.274 20 0 GDADMM Cc1ccccc1C(=O)NC1CCN(C(=O)CN[C@@H](C(=O)[O-])C(C)C)CC1 ZINC000821120395 598188358 /nfs/dbraw/zinc/18/83/58/598188358.db2.gz YMFSOYKPZGOXTF-GOSISDBHSA-N -1 1 375.469 1.415 20 0 GDADMM COc1ccccc1CC(C)(C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737153958 598254279 /nfs/dbraw/zinc/25/42/79/598254279.db2.gz WTDIPJPPHQDQQM-UHFFFAOYSA-N -1 1 388.453 1.570 20 0 GDADMM COc1ccccc1CC(C)(C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737153958 598254280 /nfs/dbraw/zinc/25/42/80/598254280.db2.gz WTDIPJPPHQDQQM-UHFFFAOYSA-N -1 1 388.453 1.570 20 0 GDADMM CCOC(=O)c1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736602496 598259454 /nfs/dbraw/zinc/25/94/54/598259454.db2.gz LQWOZZVYNVDEOC-UHFFFAOYSA-N -1 1 375.366 1.206 20 0 GDADMM CCOC(=O)c1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736602496 598259455 /nfs/dbraw/zinc/25/94/55/598259455.db2.gz LQWOZZVYNVDEOC-UHFFFAOYSA-N -1 1 375.366 1.206 20 0 GDADMM O=S(=O)(NCc1csc(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344824 598262789 /nfs/dbraw/zinc/26/27/89/598262789.db2.gz JBBYFBJCNPSPRV-UHFFFAOYSA-N -1 1 399.461 1.864 20 0 GDADMM O=S(=O)(NCc1csc(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738344824 598262790 /nfs/dbraw/zinc/26/27/90/598262790.db2.gz JBBYFBJCNPSPRV-UHFFFAOYSA-N -1 1 399.461 1.864 20 0 GDADMM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1OC(F)F ZINC000736129624 598263445 /nfs/dbraw/zinc/26/34/45/598263445.db2.gz HJCRWCSZPXDUHN-VIFPVBQESA-N -1 1 396.379 1.903 20 0 GDADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1OC(F)F ZINC000736129624 598263446 /nfs/dbraw/zinc/26/34/46/598263446.db2.gz HJCRWCSZPXDUHN-VIFPVBQESA-N -1 1 396.379 1.903 20 0 GDADMM CN(Cc1ccc(Br)o1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736816447 598265776 /nfs/dbraw/zinc/26/57/76/598265776.db2.gz HQWYOXQLPGWVEK-UHFFFAOYSA-N -1 1 399.230 1.438 20 0 GDADMM CN(Cc1ccc(Br)o1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736816447 598265778 /nfs/dbraw/zinc/26/57/78/598265778.db2.gz HQWYOXQLPGWVEK-UHFFFAOYSA-N -1 1 399.230 1.438 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC(OC2CCCCC2)CC1 ZINC000738356236 598271292 /nfs/dbraw/zinc/27/12/92/598271292.db2.gz ZQKJMGPSPJEBAU-UHFFFAOYSA-N -1 1 392.485 1.764 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC(OC2CCCCC2)CC1 ZINC000738356236 598271294 /nfs/dbraw/zinc/27/12/94/598271294.db2.gz ZQKJMGPSPJEBAU-UHFFFAOYSA-N -1 1 392.485 1.764 20 0 GDADMM O=S(=O)([N-]CCNc1ncccc1-c1nn[nH]n1)c1cc(F)c(F)cc1F ZINC000738340335 598312886 /nfs/dbraw/zinc/31/28/86/598312886.db2.gz ZDUNRGNQQJKUNV-UHFFFAOYSA-N -1 1 399.358 1.069 20 0 GDADMM COc1ccc([C@H](CNc2nccnc2-c2nnn[n-]2)N2CCOCC2)cc1 ZINC000737076913 598337742 /nfs/dbraw/zinc/33/77/42/598337742.db2.gz UAHRVQRGRLQGIX-HNNXBMFYSA-N -1 1 382.428 1.151 20 0 GDADMM COc1ccc([C@H](CNc2nccnc2-c2nn[n-]n2)N2CCOCC2)cc1 ZINC000737076913 598337743 /nfs/dbraw/zinc/33/77/43/598337743.db2.gz UAHRVQRGRLQGIX-HNNXBMFYSA-N -1 1 382.428 1.151 20 0 GDADMM Brc1cc(CNc2nccnc2-c2nnn[n-]2)cc2c1OCO2 ZINC000735368401 598347412 /nfs/dbraw/zinc/34/74/12/598347412.db2.gz LNGMJIISIMTQAE-UHFFFAOYSA-N -1 1 376.174 1.760 20 0 GDADMM Brc1cc(CNc2nccnc2-c2nn[n-]n2)cc2c1OCO2 ZINC000735368401 598347413 /nfs/dbraw/zinc/34/74/13/598347413.db2.gz LNGMJIISIMTQAE-UHFFFAOYSA-N -1 1 376.174 1.760 20 0 GDADMM CCc1nn(C[C@@H](O)COc2cc(C)ccc2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706577 598374423 /nfs/dbraw/zinc/37/44/23/598374423.db2.gz XVBTYVMSYZPUJC-CQSZACIVSA-N -1 1 398.467 1.605 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCCCN1CCCCC1=O ZINC000737546252 598397607 /nfs/dbraw/zinc/39/76/07/598397607.db2.gz BZRXVZAEYOBTID-UHFFFAOYSA-N -1 1 397.439 1.691 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCCN1CCCCC1=O ZINC000737546252 598397609 /nfs/dbraw/zinc/39/76/09/598397609.db2.gz BZRXVZAEYOBTID-UHFFFAOYSA-N -1 1 397.439 1.691 20 0 GDADMM Cc1cc(C(F)(F)F)c(-c2nn[n-]n2)c(SCCNS(C)(=O)=O)n1 ZINC000737247151 598420063 /nfs/dbraw/zinc/42/00/63/598420063.db2.gz ZPBJFLYLIDKVJV-UHFFFAOYSA-N -1 1 382.393 1.230 20 0 GDADMM C[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1cc2ccccc2s1 ZINC000736139190 598426609 /nfs/dbraw/zinc/42/66/09/598426609.db2.gz PDXPPHVJAIJWAX-SECBINFHSA-N -1 1 383.437 1.652 20 0 GDADMM CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)n1ncc(-c3nn[n-]n3)c1N)O[C@H](C)C2 ZINC000736636104 598429634 /nfs/dbraw/zinc/42/96/34/598429634.db2.gz NZPMGEMQTDJVLU-SUZMYJTESA-N -1 1 395.423 1.811 20 0 GDADMM O=C(NC1CCC1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000738023630 598430678 /nfs/dbraw/zinc/43/06/78/598430678.db2.gz HXOOFMSLPLAEMS-UHFFFAOYSA-N -1 1 384.400 1.499 20 0 GDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000737777400 598430722 /nfs/dbraw/zinc/43/07/22/598430722.db2.gz UUEQCKOXUBOFRY-UHFFFAOYSA-N -1 1 391.273 1.403 20 0 GDADMM Cc1nn(Cc2cccc(C(=O)NCC(C)C)c2)c(=O)c(-c2nn[n-]n2)c1C ZINC000737524243 598439977 /nfs/dbraw/zinc/43/99/77/598439977.db2.gz VSNGBLQTJBNQLB-UHFFFAOYSA-N -1 1 381.440 1.474 20 0 GDADMM C[C@@H]1CO[C@@H](c2ccccc2)CN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736290440 598463955 /nfs/dbraw/zinc/46/39/55/598463955.db2.gz AIDRNVUUUOUMHE-MLGOLLRUSA-N -1 1 386.437 1.412 20 0 GDADMM C[C@@H]1CO[C@@H](c2ccccc2)CN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736290440 598463957 /nfs/dbraw/zinc/46/39/57/598463957.db2.gz AIDRNVUUUOUMHE-MLGOLLRUSA-N -1 1 386.437 1.412 20 0 GDADMM COc1cccc(NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)c1 ZINC000737138443 598504230 /nfs/dbraw/zinc/50/42/30/598504230.db2.gz IBXOWBLABQIISN-UHFFFAOYSA-N -1 1 376.376 1.829 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@H](O)C1CCCCC1 ZINC000737199368 598530092 /nfs/dbraw/zinc/53/00/92/598530092.db2.gz GSJFYBNPDOAXGE-HNNXBMFYSA-N -1 1 388.472 1.574 20 0 GDADMM C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1ccccc1Oc1ncccc1-c1nn[n-]n1 ZINC000736235568 598535714 /nfs/dbraw/zinc/53/57/14/598535714.db2.gz GIFHEOHLFVLLEG-GWCFXTLKSA-N -1 1 379.380 1.517 20 0 GDADMM Cc1cc(Oc2ncccc2-c2nn[n-]n2)ccc1NC(=O)C(=O)N[C@H]1C[C@H]1C ZINC000737280956 598536456 /nfs/dbraw/zinc/53/64/56/598536456.db2.gz WGZPEBFYEHMIOU-ABAIWWIYSA-N -1 1 393.407 1.826 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCCOC[C@H]1CCOC1 ZINC000737548401 598590731 /nfs/dbraw/zinc/59/07/31/598590731.db2.gz PTMVLOIUWZMZFD-ZDUSSCGKSA-N -1 1 386.412 1.342 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCOC[C@H]1CCOC1 ZINC000737548401 598590732 /nfs/dbraw/zinc/59/07/32/598590732.db2.gz PTMVLOIUWZMZFD-ZDUSSCGKSA-N -1 1 386.412 1.342 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCCNc1ncccn1 ZINC000737549400 598601276 /nfs/dbraw/zinc/60/12/76/598601276.db2.gz UUZDSZFWKIGWSS-UHFFFAOYSA-N -1 1 380.368 1.618 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCCNc1ncccn1 ZINC000737549400 598601278 /nfs/dbraw/zinc/60/12/78/598601278.db2.gz UUZDSZFWKIGWSS-UHFFFAOYSA-N -1 1 380.368 1.618 20 0 GDADMM CCc1nn(CC(=O)N(C)[C@H](C)CC(C)C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705661 598641996 /nfs/dbraw/zinc/64/19/96/598641996.db2.gz NKCDYVBWJOIRLA-GFCCVEGCSA-N -1 1 375.477 1.441 20 0 GDADMM CCc1nn(Cc2nc(C)c3ccccc3n2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705933 598643121 /nfs/dbraw/zinc/64/31/21/598643121.db2.gz CWLWXLHLTIYFHN-UHFFFAOYSA-N -1 1 376.424 1.848 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCO[C@@H](c2ccccc2)C1 ZINC000738356175 598689347 /nfs/dbraw/zinc/68/93/47/598689347.db2.gz XVEHDEKAEMDLQX-MRXNPFEDSA-N -1 1 389.412 1.768 20 0 GDADMM CCCOc1cn(-c2ccccc2)nc1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000736492023 598699746 /nfs/dbraw/zinc/69/97/46/598699746.db2.gz HVKQJWYDPNXEHB-UHFFFAOYSA-N -1 1 379.384 1.308 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCO[C@@H](c2nccs2)C1 ZINC000738353777 598710681 /nfs/dbraw/zinc/71/06/81/598710681.db2.gz GVLWVDWAIOQLKE-GFCCVEGCSA-N -1 1 396.429 1.225 20 0 GDADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21)NCC(F)(F)F ZINC000737980335 598721798 /nfs/dbraw/zinc/72/17/98/598721798.db2.gz CMNDKRMHRZENRF-UHFFFAOYSA-N -1 1 386.721 1.514 20 0 GDADMM NC(=O)c1ccccc1N1CC[C@@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000737761279 598748054 /nfs/dbraw/zinc/74/80/54/598748054.db2.gz SAOQNYXVYVKOCO-SNVBAGLBSA-N -1 1 384.831 1.705 20 0 GDADMM NC(=O)c1ccccc1N1CC[C@@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000737761279 598748055 /nfs/dbraw/zinc/74/80/55/598748055.db2.gz SAOQNYXVYVKOCO-SNVBAGLBSA-N -1 1 384.831 1.705 20 0 GDADMM CCOCCOCCOC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000736624238 598785046 /nfs/dbraw/zinc/78/50/46/598785046.db2.gz SEOCDIQORKEPKA-UHFFFAOYSA-N -1 1 375.385 1.769 20 0 GDADMM CCOCCOCCOC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000736624238 598785048 /nfs/dbraw/zinc/78/50/48/598785048.db2.gz SEOCDIQORKEPKA-UHFFFAOYSA-N -1 1 375.385 1.769 20 0 GDADMM COc1cccc(CN2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)n1 ZINC000737131485 598795650 /nfs/dbraw/zinc/79/56/50/598795650.db2.gz PVEOINXGRCURNJ-UHFFFAOYSA-N -1 1 382.428 1.458 20 0 GDADMM CC(C)n1ccc(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)n1 ZINC000735961596 598810028 /nfs/dbraw/zinc/81/00/28/598810028.db2.gz RMWOSYIJJIMMGT-UHFFFAOYSA-N -1 1 397.443 1.472 20 0 GDADMM Cc1csc([C@H]2CCCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC000737455015 599294480 /nfs/dbraw/zinc/29/44/80/599294480.db2.gz LRGPJVGJGBKXSW-NSHDSACASA-N -1 1 391.482 1.595 20 0 GDADMM Cc1csc([C@H]2CCCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC000737455015 599294482 /nfs/dbraw/zinc/29/44/82/599294482.db2.gz LRGPJVGJGBKXSW-NSHDSACASA-N -1 1 391.482 1.595 20 0 GDADMM COc1ccccc1CN(C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000737149371 599335300 /nfs/dbraw/zinc/33/53/00/599335300.db2.gz HJRPFZIHMKEMAE-UHFFFAOYSA-N -1 1 377.401 1.835 20 0 GDADMM COc1ccccc1CN(C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000737149371 599335303 /nfs/dbraw/zinc/33/53/03/599335303.db2.gz HJRPFZIHMKEMAE-UHFFFAOYSA-N -1 1 377.401 1.835 20 0 GDADMM COc1ccccc1O[C@H](C)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821903152 599370262 /nfs/dbraw/zinc/37/02/62/599370262.db2.gz BYPJTYAENFBKBY-LLVKDONJSA-N -1 1 390.425 1.016 20 0 GDADMM COc1ccccc1O[C@H](C)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821903152 599370265 /nfs/dbraw/zinc/37/02/65/599370265.db2.gz BYPJTYAENFBKBY-LLVKDONJSA-N -1 1 390.425 1.016 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCc2nccn2CC(C)C)cc1-c1nn[n-]n1 ZINC000821979042 599426020 /nfs/dbraw/zinc/42/60/20/599426020.db2.gz OEYIXWSRPGKJRY-UHFFFAOYSA-N -1 1 388.457 1.472 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCCc2nc3ccccc3o2)cc1-c1nn[n-]n1 ZINC000821977238 599558089 /nfs/dbraw/zinc/55/80/89/599558089.db2.gz FFLAXDXIBIMHEO-UHFFFAOYSA-N -1 1 397.420 1.803 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000738302067 599560950 /nfs/dbraw/zinc/56/09/50/599560950.db2.gz FZEFJWCMJCAOAG-UHFFFAOYSA-N -1 1 397.826 1.400 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000738302067 599560952 /nfs/dbraw/zinc/56/09/52/599560952.db2.gz FZEFJWCMJCAOAG-UHFFFAOYSA-N -1 1 397.826 1.400 20 0 GDADMM Cc1nn(C)c(C)c1CN(C)C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000737511914 599572534 /nfs/dbraw/zinc/57/25/34/599572534.db2.gz WEYDPGJFGMIXRC-UHFFFAOYSA-N -1 1 398.471 1.526 20 0 GDADMM CC[C@H]1COCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000736407150 599593735 /nfs/dbraw/zinc/59/37/35/599593735.db2.gz NRVKGMJAGIETPU-JTQLQIEISA-N -1 1 391.375 1.685 20 0 GDADMM CCc1cnc(COC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)o1 ZINC000821499791 599654335 /nfs/dbraw/zinc/65/43/35/599654335.db2.gz QIPQXKNXFNUIQI-UHFFFAOYSA-N -1 1 396.411 1.753 20 0 GDADMM CCc1cnc(COC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)o1 ZINC000821499791 599654336 /nfs/dbraw/zinc/65/43/36/599654336.db2.gz QIPQXKNXFNUIQI-UHFFFAOYSA-N -1 1 396.411 1.753 20 0 GDADMM Cc1ncccc1NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000822472749 599657351 /nfs/dbraw/zinc/65/73/51/599657351.db2.gz YQOWODIGLGFYKT-UHFFFAOYSA-N -1 1 377.412 1.801 20 0 GDADMM Cc1ncccc1NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000822472749 599657352 /nfs/dbraw/zinc/65/73/52/599657352.db2.gz YQOWODIGLGFYKT-UHFFFAOYSA-N -1 1 377.412 1.801 20 0 GDADMM CC(=O)c1ccc([O-])c(CCOC(=O)CNc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000819834190 599657941 /nfs/dbraw/zinc/65/79/41/599657941.db2.gz NXGPYOOEJRGMSH-UHFFFAOYSA-N -1 1 381.392 1.973 20 0 GDADMM Cc1oc(NC(=O)CN2C[C@@H](C)O[C@H](C(F)(F)F)C2)c(-c2nn[n-]n2)c1C ZINC000822548993 599691240 /nfs/dbraw/zinc/69/12/40/599691240.db2.gz RAZLVJFQIKBBGY-XCBNKYQSSA-N -1 1 388.350 1.667 20 0 GDADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1O ZINC000822223669 599695314 /nfs/dbraw/zinc/69/53/14/599695314.db2.gz GKDYJKPWOPZUOC-UHFFFAOYSA-N -1 1 375.366 1.380 20 0 GDADMM CCCN(CC(=O)Nc1ccccc1C)C(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000737011149 599708363 /nfs/dbraw/zinc/70/83/63/599708363.db2.gz UIVXUTTVSSZIHX-MRXNPFEDSA-N -1 1 375.469 1.969 20 0 GDADMM CC(C)C(=O)NC[C@H]1CCCN([C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000736347647 599783887 /nfs/dbraw/zinc/78/38/87/599783887.db2.gz VGDOJCHLWUEUME-DOTOQJQBSA-N -1 1 389.496 1.874 20 0 GDADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000428060779 599810045 /nfs/dbraw/zinc/81/00/45/599810045.db2.gz MGGXTGLPZQTUFG-OAHLLOKOSA-N -1 1 393.403 1.302 20 0 GDADMM Cc1cc2cn[nH]c2c(C(=O)Nc2cccc(S(=O)(=O)NCC(=O)[O-])c2)c1 ZINC000738339727 599817610 /nfs/dbraw/zinc/81/76/10/599817610.db2.gz XKMHDGSBDTYXGA-UHFFFAOYSA-N -1 1 388.405 1.487 20 0 GDADMM CN1CCN(Cc2ccc(C(=O)N[C@H](Cc3ccccc3)C(=O)[O-])cc2)CC1 ZINC000194929897 599858962 /nfs/dbraw/zinc/85/89/62/599858962.db2.gz CNUFKXFXPHSTEP-HXUWFJFHSA-N -1 1 381.476 1.860 20 0 GDADMM CC(C)CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(CCC(=O)[O-])cc2)C1 ZINC000736443024 599876877 /nfs/dbraw/zinc/87/68/77/599876877.db2.gz KKYWAUQNENPPBP-KRWDZBQOSA-N -1 1 391.468 1.115 20 0 GDADMM COC(=O)C1CCN(CCCNS(=O)(=O)c2cccc(C(=O)[O-])c2C)CC1 ZINC000737586781 599933985 /nfs/dbraw/zinc/93/39/85/599933985.db2.gz HPUDKJQEKDTOQA-UHFFFAOYSA-N -1 1 398.481 1.247 20 0 GDADMM COC1CCN(C(C)(C)CNS(=O)(=O)c2cccc(C(=O)[O-])c2C)CC1 ZINC000737736349 599939506 /nfs/dbraw/zinc/93/95/06/599939506.db2.gz UNJCKXZLENMXJJ-UHFFFAOYSA-N -1 1 384.498 1.861 20 0 GDADMM C[C@H](CN(CC(=O)N(C)CC(=O)Nc1ccccc1Cl)C1CC1)C(=O)[O-] ZINC000736580003 599949542 /nfs/dbraw/zinc/94/95/42/599949542.db2.gz WGERVBQFSGVANP-GFCCVEGCSA-N -1 1 381.860 1.922 20 0 GDADMM CN(CC(=O)NC1(C(=O)[O-])CCCCC1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000737393431 599956664 /nfs/dbraw/zinc/95/66/64/599956664.db2.gz NKGAUUKOYJNMNI-OAHLLOKOSA-N -1 1 375.473 1.281 20 0 GDADMM CC[C@@H]1CN([C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)CCN1C[C@@H](C)O ZINC000736942306 599960073 /nfs/dbraw/zinc/96/00/73/599960073.db2.gz AXGOSFUSEBTVFT-BFYDXBDKSA-N -1 1 377.485 1.797 20 0 GDADMM CC[C@H]1CN(CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000736943974 599960710 /nfs/dbraw/zinc/96/07/10/599960710.db2.gz QYOMJYDDSVZLEP-FZMZJTMJSA-N -1 1 383.514 1.779 20 0 GDADMM CC[C@H]1CN(CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])CCN1C[C@H](C)O ZINC000736943974 599960712 /nfs/dbraw/zinc/96/07/12/599960712.db2.gz QYOMJYDDSVZLEP-FZMZJTMJSA-N -1 1 383.514 1.779 20 0 GDADMM CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1CN1CCC[C@H]1Cn1cncn1 ZINC000737506633 599968470 /nfs/dbraw/zinc/96/84/70/599968470.db2.gz ZXXFOWJCNGLLPW-MAUKXSAKSA-N -1 1 396.451 1.478 20 0 GDADMM Cc1nc2c(cnn2C)c(N2CCN(CCOc3cccc(C(=O)[O-])c3)CC2)n1 ZINC000738864014 599969640 /nfs/dbraw/zinc/96/96/40/599969640.db2.gz FLJHWNYDKPPIQL-UHFFFAOYSA-N -1 1 396.451 1.571 20 0 GDADMM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCC[C@@H]1Cn1cccn1 ZINC000739282437 599971706 /nfs/dbraw/zinc/97/17/06/599971706.db2.gz BDSFXHQLLWFJQA-APWZRJJASA-N -1 1 395.463 1.641 20 0 GDADMM O=C([O-])[C@@H](c1ccc(Cl)cc1)N1CCN(C[C@@H](O)Cn2cccn2)CC1 ZINC000739512159 600000468 /nfs/dbraw/zinc/00/04/68/600000468.db2.gz MQMZPQSQWQZELA-IAGOWNOFSA-N -1 1 378.860 1.341 20 0 GDADMM CN1CCN(c2ccc(CNC(=O)NC3CCC(C(=O)[O-])CC3)cn2)CC1 ZINC000737528990 600014046 /nfs/dbraw/zinc/01/40/46/600014046.db2.gz GKIBXOLFJDXVMT-UHFFFAOYSA-N -1 1 375.473 1.276 20 0 GDADMM CN1CCN(c2cc(CNC(=O)NC3CCC(C(=O)[O-])CC3)ccn2)CC1 ZINC000737529268 600015037 /nfs/dbraw/zinc/01/50/37/600015037.db2.gz VYOLSPVRRMFXHA-UHFFFAOYSA-N -1 1 375.473 1.276 20 0 GDADMM Cc1ccc(COC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)nc1 ZINC000822238764 607414514 /nfs/dbraw/zinc/41/45/14/607414514.db2.gz SXCGFDLSZZDKPN-UHFFFAOYSA-N -1 1 392.423 1.906 20 0 GDADMM Cc1ccc(COC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)nc1 ZINC000822238764 607414515 /nfs/dbraw/zinc/41/45/15/607414515.db2.gz SXCGFDLSZZDKPN-UHFFFAOYSA-N -1 1 392.423 1.906 20 0 GDADMM CCC[C@](C)(NCC(=O)N1CCN(Cc2ccc(OC)cc2)CC1)C(=O)[O-] ZINC000736959110 600157210 /nfs/dbraw/zinc/15/72/10/600157210.db2.gz BTYMUQLNKVWMFZ-FQEVSTJZSA-N -1 1 377.485 1.572 20 0 GDADMM CN(C)C[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000737362257 600226485 /nfs/dbraw/zinc/22/64/85/600226485.db2.gz YZTVINKXEMWJFF-GOSISDBHSA-N -1 1 376.478 1.977 20 0 GDADMM O=C([O-])Cc1ccc(S(=O)(=O)Nc2cccnc2N2CCOCC2)cc1 ZINC000739886664 600244407 /nfs/dbraw/zinc/24/44/07/600244407.db2.gz UDZIWELDJMHDGN-UHFFFAOYSA-N -1 1 377.422 1.346 20 0 GDADMM COC(=O)Nc1ccc(CNC(=O)CN2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC000737642025 600306388 /nfs/dbraw/zinc/30/63/88/600306388.db2.gz NDBCIBFREXFDNS-HNNXBMFYSA-N -1 1 375.425 1.668 20 0 GDADMM O=C([O-])[C@H]1CC12CCN(CC(=O)NC(=O)NC13CC4CC(CC(C4)C1)C3)CC2 ZINC000739278567 600308544 /nfs/dbraw/zinc/30/85/44/600308544.db2.gz QDYLZJNFMFQHRX-HIHZZFLASA-N -1 1 389.496 1.968 20 0 GDADMM CC(C)N1CCO[C@@H](CN2CCN(C(=O)Nc3ccc(C(=O)[O-])cc3)CC2)C1 ZINC000736474338 600335495 /nfs/dbraw/zinc/33/54/95/600335495.db2.gz LNVWOKFVUDVWKB-SFHVURJKSA-N -1 1 390.484 1.644 20 0 GDADMM Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000738520954 600341051 /nfs/dbraw/zinc/34/10/51/600341051.db2.gz XLBIMLYENZWKNV-UHFFFAOYSA-N -1 1 379.376 1.733 20 0 GDADMM Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000738520954 600341055 /nfs/dbraw/zinc/34/10/55/600341055.db2.gz XLBIMLYENZWKNV-UHFFFAOYSA-N -1 1 379.376 1.733 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)Nc2cc(-c3nccn3C)[nH]n2)cc1-c1nn[n-]n1 ZINC000821976632 607438959 /nfs/dbraw/zinc/43/89/59/607438959.db2.gz CBAAVXVFHSRQAW-UHFFFAOYSA-N -1 1 398.412 1.065 20 0 GDADMM CN1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000737524200 600468482 /nfs/dbraw/zinc/46/84/82/600468482.db2.gz XOBGGEZPTXZLMM-HNNXBMFYSA-N -1 1 379.482 1.543 20 0 GDADMM Cc1oc(NC(=O)CN(CCC(N)=O)c2cccc(C)c2)c(-c2nn[n-]n2)c1C ZINC000826299275 607447262 /nfs/dbraw/zinc/44/72/62/607447262.db2.gz YAYWBGJUJMXEHE-UHFFFAOYSA-N -1 1 397.439 1.705 20 0 GDADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000426700564 600492141 /nfs/dbraw/zinc/49/21/41/600492141.db2.gz RZOYBQPZAGASDP-HNNXBMFYSA-N -1 1 379.376 1.432 20 0 GDADMM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000736792695 600507813 /nfs/dbraw/zinc/50/78/13/600507813.db2.gz XZDIBLMDFXPGTN-MRXNPFEDSA-N -1 1 393.528 1.669 20 0 GDADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000738518617 600508812 /nfs/dbraw/zinc/50/88/12/600508812.db2.gz LURBUAKFTOSMPJ-JCGIZDLHSA-N -1 1 375.469 1.551 20 0 GDADMM Cc1cccc(NC(=O)NC(=O)CN(CCC(=O)[O-])C[C@H]2CCCO2)c1C ZINC000738734349 600511020 /nfs/dbraw/zinc/51/10/20/600511020.db2.gz KPGRNEIZOOBEFK-OAHLLOKOSA-N -1 1 377.441 1.907 20 0 GDADMM Cc1ccc(NC(=O)NC(=O)CN(CCC(=O)[O-])C[C@@H]2CCCO2)c(C)c1 ZINC000738624442 600513368 /nfs/dbraw/zinc/51/33/68/600513368.db2.gz JHADUWAKQOTCBY-HNNXBMFYSA-N -1 1 377.441 1.907 20 0 GDADMM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000736206654 600540993 /nfs/dbraw/zinc/54/09/93/600540993.db2.gz WMQMNSBIXOTINI-LSDHHAIUSA-N -1 1 381.517 1.572 20 0 GDADMM CC[C@](C)(NCC(=O)Nc1cccc(C(=O)N2CCSCC2)c1)C(=O)[O-] ZINC000736863269 600559089 /nfs/dbraw/zinc/55/90/89/600559089.db2.gz KMSFGFKIHHRHNB-SFHVURJKSA-N -1 1 379.482 1.657 20 0 GDADMM COCCN(CCC(=O)[O-])CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000737794946 600641723 /nfs/dbraw/zinc/64/17/23/600641723.db2.gz UIQXQQZGAHZUGJ-INIZCTEOSA-N -1 1 392.452 1.544 20 0 GDADMM O=C([O-])Cc1ccc(S(=O)(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)cc1 ZINC000739886400 600650822 /nfs/dbraw/zinc/65/08/22/600650822.db2.gz KRHYLNAWNBQMQT-UHFFFAOYSA-N -1 1 390.396 1.716 20 0 GDADMM 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388.468 1.786 20 0 GDADMM C[N@@H+](CCN1CCN(C(=O)C[C@H]2CCCN2C(=O)[O-])CC1)Cc1ccccc1 ZINC000828312718 602855952 /nfs/dbraw/zinc/85/59/52/602855952.db2.gz QXTZYILUFNZCMK-LJQANCHMSA-N -1 1 388.512 1.795 20 0 GDADMM COc1ccccc1[C@@H](CNC(=O)N1CCN(C)C[C@H]1C(C)C)NC(=O)[O-] ZINC000739960043 602906987 /nfs/dbraw/zinc/90/69/87/602906987.db2.gz DFQRXVOBISLLLE-CVEARBPZSA-N -1 1 378.473 1.986 20 0 GDADMM Cc1c(C(=O)N2C[C@@H]3CCCCN3C[C@H]2C)nnn1C1CCN(C(=O)[O-])CC1 ZINC000740030488 602982406 /nfs/dbraw/zinc/98/24/06/602982406.db2.gz ADFGDPDQFPUDEE-CJNGLKHVSA-N -1 1 390.488 1.600 20 0 GDADMM Cn1c(=O)c2ccc(C(=O)N[C@@H]3CCCC[C@H]3CNC(=O)[O-])cc2[nH]c1=S ZINC000740283917 602990442 /nfs/dbraw/zinc/99/04/42/602990442.db2.gz VWQQPLQFJHOHIZ-WCQYABFASA-N -1 1 390.465 1.778 20 0 GDADMM O=S(=O)(N[C@@H]1C[C@H]1c1cccc(F)c1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826488429 607599230 /nfs/dbraw/zinc/59/92/30/607599230.db2.gz PJWJZCXLWTUMQO-GXTWGEPZSA-N -1 1 377.376 1.979 20 0 GDADMM Cc1cc2nc(C)c(CCC(=O)OCc3ccnc(-c4nnn[n-]4)c3)c(C)n2n1 ZINC000826272916 607599909 /nfs/dbraw/zinc/59/99/09/607599909.db2.gz HGLNGGFTJALRDE-UHFFFAOYSA-N -1 1 392.423 1.906 20 0 GDADMM Cc1cc2nc(C)c(CCC(=O)OCc3ccnc(-c4nn[n-]n4)c3)c(C)n2n1 ZINC000826272916 607599911 /nfs/dbraw/zinc/59/99/11/607599911.db2.gz HGLNGGFTJALRDE-UHFFFAOYSA-N -1 1 392.423 1.906 20 0 GDADMM CC(C)c1nnc(-c2ccccc2NC(=O)CN2CCN(C(=O)[O-])CC2=O)[nH]1 ZINC000738880949 603018899 /nfs/dbraw/zinc/01/88/99/603018899.db2.gz YQMZENJIBPGVQJ-UHFFFAOYSA-N -1 1 386.412 1.356 20 0 GDADMM Cn1c(Cl)cnc1CNS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826355471 607605497 /nfs/dbraw/zinc/60/54/97/607605497.db2.gz BCIJXGFFUQNDHC-UHFFFAOYSA-N -1 1 388.240 1.386 20 0 GDADMM CCOC(=O)C1CCC(NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000825499888 607603037 /nfs/dbraw/zinc/60/30/37/607603037.db2.gz WZIXUBFPIVJPSB-UHFFFAOYSA-N -1 1 397.432 1.406 20 0 GDADMM CCOC(=O)C1CCC(NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000825499888 607603038 /nfs/dbraw/zinc/60/30/38/607603038.db2.gz WZIXUBFPIVJPSB-UHFFFAOYSA-N -1 1 397.432 1.406 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cnn2c1[nH]c(=O)c1ccccc12 ZINC000826467040 607603346 /nfs/dbraw/zinc/60/33/46/607603346.db2.gz DRGXADRUBRNHSJ-UHFFFAOYSA-N -1 1 388.347 1.108 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cnn2c1[nH]c(=O)c1ccccc12 ZINC000826467040 607603349 /nfs/dbraw/zinc/60/33/49/607603349.db2.gz DRGXADRUBRNHSJ-UHFFFAOYSA-N -1 1 388.347 1.108 20 0 GDADMM O=C(CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)Nc1ccccc1 ZINC000826412805 607603477 /nfs/dbraw/zinc/60/34/77/607603477.db2.gz DQIVYHDZTMPUAI-UHFFFAOYSA-N -1 1 392.828 1.437 20 0 GDADMM O=C(CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)Nc1ccccc1 ZINC000826412805 607603478 /nfs/dbraw/zinc/60/34/78/607603478.db2.gz DQIVYHDZTMPUAI-UHFFFAOYSA-N -1 1 392.828 1.437 20 0 GDADMM COC(=O)[C@H](C)CN(C1CC1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826098376 607604775 /nfs/dbraw/zinc/60/47/75/607604775.db2.gz CKXKAMIAYKDXIM-SECBINFHSA-N -1 1 399.860 1.482 20 0 GDADMM Cc1c(CN2CCSCC2)cccc1NC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-] ZINC000740046125 603075676 /nfs/dbraw/zinc/07/56/76/603075676.db2.gz BLPWCTOCPYIAAG-GOEBONIOSA-N -1 1 379.482 1.596 20 0 GDADMM COC[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000826152313 607605189 /nfs/dbraw/zinc/60/51/89/607605189.db2.gz VTRJHKKTOQRBFR-ZDUSSCGKSA-N -1 1 377.401 1.672 20 0 GDADMM COC[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000826152313 607605191 /nfs/dbraw/zinc/60/51/91/607605191.db2.gz VTRJHKKTOQRBFR-ZDUSSCGKSA-N -1 1 377.401 1.672 20 0 GDADMM O=C([O-])NC1(C(=O)N2CCC(CN3CCOCC3)CC2)Cc2ccccc2C1 ZINC000740536335 603119417 /nfs/dbraw/zinc/11/94/17/603119417.db2.gz PWIVOECYYSWLSM-UHFFFAOYSA-N -1 1 387.480 1.362 20 0 GDADMM COc1ccc(-c2n[nH]c(CNC(=O)N3CC[C@H](NC(=O)[O-])[C@@H](C)C3)n2)cc1 ZINC000739880058 603128082 /nfs/dbraw/zinc/12/80/82/603128082.db2.gz RGDIZJHGJNRPDJ-FZMZJTMJSA-N -1 1 388.428 1.668 20 0 GDADMM COc1ccc(-c2nc(CNC(=O)N3CC[C@H](NC(=O)[O-])[C@@H](C)C3)n[nH]2)cc1 ZINC000739880058 603128085 /nfs/dbraw/zinc/12/80/85/603128085.db2.gz RGDIZJHGJNRPDJ-FZMZJTMJSA-N -1 1 388.428 1.668 20 0 GDADMM O=C(CCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)Nc1ccccc1 ZINC000826408266 607615230 /nfs/dbraw/zinc/61/52/30/607615230.db2.gz XZNWMPPGNRSCKB-UHFFFAOYSA-N -1 1 390.400 1.313 20 0 GDADMM O=C(CCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)Nc1ccccc1 ZINC000826408266 607615232 /nfs/dbraw/zinc/61/52/32/607615232.db2.gz XZNWMPPGNRSCKB-UHFFFAOYSA-N -1 1 390.400 1.313 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@@H](c2ccccc2)C(C)(C)CO)n1 ZINC000826356668 607620595 /nfs/dbraw/zinc/62/05/95/607620595.db2.gz AKBVDYPCNCGQKV-AWEZNQCLSA-N -1 1 384.444 1.524 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@@H](c2ccccc2)C(C)(C)CO)n1 ZINC000826356668 607620596 /nfs/dbraw/zinc/62/05/96/607620596.db2.gz AKBVDYPCNCGQKV-AWEZNQCLSA-N -1 1 384.444 1.524 20 0 GDADMM CC[C@H](SC)C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000825159409 607621543 /nfs/dbraw/zinc/62/15/43/607621543.db2.gz OQUBQHRHPZWNNM-NSHDSACASA-N -1 1 377.474 1.522 20 0 GDADMM O=S(=O)(c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)N1CCC(O)CC1 ZINC000826494847 607623044 /nfs/dbraw/zinc/62/30/44/607623044.db2.gz RLVRIZUXSUFLOJ-UHFFFAOYSA-N -1 1 377.348 1.031 20 0 GDADMM CN(Cc1cccc(NC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)c1)C(=O)[O-] ZINC000739713058 603365778 /nfs/dbraw/zinc/36/57/78/603365778.db2.gz KYJVRAMDKJFWQY-DLBZAZTESA-N -1 1 376.457 1.859 20 0 GDADMM CN1CCN(Cc2cccc(NC(=O)CN(C[C@@H]3CCCO3)C(=O)[O-])c2)CC1 ZINC000739737019 603402548 /nfs/dbraw/zinc/40/25/48/603402548.db2.gz UKUQXWKPUICOJU-SFHVURJKSA-N -1 1 390.484 1.532 20 0 GDADMM C[C@H]1CN(CC(=O)N2CCN(Cc3cccs3)CC2)CC[C@@H]1NC(=O)[O-] ZINC000739174527 603413539 /nfs/dbraw/zinc/41/35/39/603413539.db2.gz PAGVAHPSEPMPHP-HOCLYGCPSA-N -1 1 380.514 1.370 20 0 GDADMM COC(=O)[C@]1(NC(=O)[C@@H](C)CN(C)C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000828623847 603444750 /nfs/dbraw/zinc/44/47/50/603444750.db2.gz ICPOZOWOSKSBDY-YWZLYKJASA-N -1 1 391.468 1.556 20 0 GDADMM CC[C@](C)(O)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825051418 607629625 /nfs/dbraw/zinc/62/96/25/607629625.db2.gz OWRLWCARVBZOOY-LBPRGKRZSA-N -1 1 379.364 1.325 20 0 GDADMM CCOC(=O)[C@H]1CCCCN1C(=O)CN1CCC(CN(CC)C(=O)[O-])CC1 ZINC000827296180 603508667 /nfs/dbraw/zinc/50/86/67/603508667.db2.gz FEWBLTFWRHRUSD-MRXNPFEDSA-N -1 1 383.489 1.643 20 0 GDADMM O=C([O-])N[C@@H](CC(=O)N[C@H](c1nn[nH]n1)c1ccccc1)Cc1ccccc1 ZINC000832099464 603508846 /nfs/dbraw/zinc/50/88/46/603508846.db2.gz NRUIUYJKVHZRTB-WBVHZDCISA-N -1 1 380.408 1.674 20 0 GDADMM CC(C)(C)OC(=O)Nc1ccc(CNCC(=O)N2CCN(C(=O)[O-])CC2)cn1 ZINC000823827742 603540078 /nfs/dbraw/zinc/54/00/78/603540078.db2.gz HSYAZDWHFFZHAJ-UHFFFAOYSA-N -1 1 393.444 1.340 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)Nc2ccccc2CN(C)C(=O)[O-])cn1C ZINC000828761121 603544381 /nfs/dbraw/zinc/54/43/81/603544381.db2.gz OPLNZHBBXUWRIS-UHFFFAOYSA-N -1 1 381.410 1.722 20 0 GDADMM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000826115290 603555675 /nfs/dbraw/zinc/55/56/75/603555675.db2.gz DPTNQIRTFAPGMW-CZUORRHYSA-N -1 1 376.457 1.880 20 0 GDADMM C[C@@H](NC(=O)Nc1cc(C(N)=O)ccc1CN(C)C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000825172233 603562006 /nfs/dbraw/zinc/56/20/06/603562006.db2.gz RFOHGBLRWBGVAN-TZMCWYRMSA-N -1 1 391.472 1.747 20 0 GDADMM CN(C)Cc1ccc(C(N)=O)cc1NC(=O)NC[C@H]1CCCN(C(=O)[O-])C1 ZINC000828042721 603562324 /nfs/dbraw/zinc/56/23/24/603562324.db2.gz OAHQWSMVABYSBH-GFCCVEGCSA-N -1 1 377.445 1.359 20 0 GDADMM C[C@@](O)(CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)c1ccsc1 ZINC000824670636 607641991 /nfs/dbraw/zinc/64/19/91/607641991.db2.gz SRMMKUYTGZQGEG-CQSZACIVSA-N -1 1 399.885 1.768 20 0 GDADMM C[C@@](O)(CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)c1ccsc1 ZINC000824670636 607641993 /nfs/dbraw/zinc/64/19/93/607641993.db2.gz SRMMKUYTGZQGEG-CQSZACIVSA-N -1 1 399.885 1.768 20 0 GDADMM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000826109157 603667187 /nfs/dbraw/zinc/66/71/87/603667187.db2.gz JAPQHBDDEWCQON-CJNGLKHVSA-N -1 1 376.457 1.666 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cccc(CN3CCN(C)CC3)c2)[C@H]1CNC(=O)[O-] ZINC000825918156 603692598 /nfs/dbraw/zinc/69/25/98/603692598.db2.gz CWFWJQHOWCIICG-APWZRJJASA-N -1 1 388.512 1.942 20 0 GDADMM CN(C(=O)[O-])[C@H]1CCCN(C(=O)CCN2CCN(c3ccccn3)CC2)C1 ZINC000827815552 603732775 /nfs/dbraw/zinc/73/27/75/603732775.db2.gz AWUUWBOOXLVMKJ-INIZCTEOSA-N -1 1 375.473 1.195 20 0 GDADMM C[C@@H]1CN(Cc2ccc(CNC(=O)COC3CN(C(=O)[O-])C3)cc2)C[C@H](C)O1 ZINC000826057936 603745618 /nfs/dbraw/zinc/74/56/18/603745618.db2.gz LFDJAEJAGYJFKQ-GASCZTMLSA-N -1 1 391.468 1.291 20 0 GDADMM CC(C)(NC(=O)[O-])C(C)(C)C(=O)OCC1=Nc2ccccc2S(=O)(=O)N1 ZINC000824025451 603774858 /nfs/dbraw/zinc/77/48/58/603774858.db2.gz QVIOJBUQJDDPDV-UHFFFAOYSA-N -1 1 383.426 1.624 20 0 GDADMM C[C@@H](CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)Oc1ccc(F)cc1 ZINC000824427477 607650479 /nfs/dbraw/zinc/65/04/79/607650479.db2.gz NRJBTZYQPFKEFG-JTQLQIEISA-N -1 1 395.391 1.891 20 0 GDADMM O=C([O-])NC[C@H]1CCC[C@@H]1NC(=O)CCN1CCN(c2ccccn2)CC1 ZINC000832457765 603846274 /nfs/dbraw/zinc/84/62/74/603846274.db2.gz KZZDANZLENVJRK-CVEARBPZSA-N -1 1 375.473 1.146 20 0 GDADMM C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)Nc1cccc2c1CCN(C(=O)[O-])C2 ZINC000826046852 603907913 /nfs/dbraw/zinc/90/79/13/603907913.db2.gz ACUUNZRUSIWXNR-SJCJKPOMSA-N -1 1 386.452 1.260 20 0 GDADMM COC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1-c1nn[nH]n1)c1ccco1 ZINC000826151583 607659135 /nfs/dbraw/zinc/65/91/35/607659135.db2.gz FHEPUGJOLHXDIV-NSHDSACASA-N -1 1 383.817 1.779 20 0 GDADMM COC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826149927 607659222 /nfs/dbraw/zinc/65/92/22/607659222.db2.gz RXCFWNYCQWMPMS-AWEZNQCLSA-N -1 1 391.428 1.542 20 0 GDADMM CC(C)C[C@H](CNC(=O)[O-])NC(=O)[C@H](C)NC(=O)c1n[nH]c2ccccc21 ZINC000824183158 603940268 /nfs/dbraw/zinc/94/02/68/603940268.db2.gz OPPWXQOOLPCCLB-NWDGAFQWSA-N -1 1 375.429 1.480 20 0 GDADMM CN(C(=O)Cn1c(=O)c2ccccc2[nH]c1=S)C1CCN(C(=O)[O-])CC1 ZINC000827782349 603944761 /nfs/dbraw/zinc/94/47/61/603944761.db2.gz VGWXCZSBLFSMKC-UHFFFAOYSA-N -1 1 376.438 1.286 20 0 GDADMM C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000823677979 603983193 /nfs/dbraw/zinc/98/31/93/603983193.db2.gz QDINBCIHBJRVQQ-BBWFWOEESA-N -1 1 387.484 1.335 20 0 GDADMM Cc1ccsc1[C@@H](CO)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826316043 607664268 /nfs/dbraw/zinc/66/42/68/607664268.db2.gz BIQIIODQAQTYNM-LLVKDONJSA-N -1 1 383.430 1.388 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CC(OCC(F)F)C1 ZINC000826495134 607668503 /nfs/dbraw/zinc/66/85/03/607668503.db2.gz DMCQVYMRDCQWRO-UHFFFAOYSA-N -1 1 379.776 1.175 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CC(OCC(F)F)C1 ZINC000826495134 607668504 /nfs/dbraw/zinc/66/85/04/607668504.db2.gz DMCQVYMRDCQWRO-UHFFFAOYSA-N -1 1 379.776 1.175 20 0 GDADMM O=C([O-])NCCCOC1CCN(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1 ZINC000832633767 604103149 /nfs/dbraw/zinc/10/31/49/604103149.db2.gz WGIXXKLHLWQNLA-IAGOWNOFSA-N -1 1 383.489 1.295 20 0 GDADMM Cc1nnc([C@H]2CCCN(S(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)C2)[nH]1 ZINC000826324775 607672752 /nfs/dbraw/zinc/67/27/52/607672752.db2.gz DKSDIDUXVXQWAF-JTQLQIEISA-N -1 1 392.420 1.001 20 0 GDADMM CCC1(CC)[C@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C[C@@H]1OC ZINC000825171245 607674967 /nfs/dbraw/zinc/67/49/67/607674967.db2.gz NVMDGSHGHGWEJA-KGLIPLIRSA-N -1 1 383.449 1.878 20 0 GDADMM C[C@@H](Cc1ccc(O)cc1)N(C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824458320 607674972 /nfs/dbraw/zinc/67/49/72/607674972.db2.gz VLPLKVFCNYWCAR-NSHDSACASA-N -1 1 391.428 1.963 20 0 GDADMM CCOC(=O)CN(C(=O)CN(C)C1CCN(C(=O)[O-])CC1)c1ccccc1 ZINC000827313792 604170502 /nfs/dbraw/zinc/17/05/02/604170502.db2.gz TWAHGAZXGDIFMY-UHFFFAOYSA-N -1 1 377.441 1.657 20 0 GDADMM O=S(=O)(NC[C@H]1CCCn2ccnc21)c1cccc(F)c1-c1nnn[n-]1 ZINC000826490149 607678760 /nfs/dbraw/zinc/67/87/60/607678760.db2.gz LATYTZYPODAUEG-SNVBAGLBSA-N -1 1 377.405 1.058 20 0 GDADMM O=S(=O)(NC[C@H]1CCCn2ccnc21)c1cccc(F)c1-c1nn[n-]n1 ZINC000826490149 607678762 /nfs/dbraw/zinc/67/87/62/607678762.db2.gz LATYTZYPODAUEG-SNVBAGLBSA-N -1 1 377.405 1.058 20 0 GDADMM CC(=O)N1CCCN([C@@H]2CN(C(=O)[C@@H](CC(C)C)NC(=O)[O-])C[C@H]2C)CC1 ZINC000823555372 604324479 /nfs/dbraw/zinc/32/44/79/604324479.db2.gz CCKRWCCDZXODON-DJIMGWMZSA-N -1 1 382.505 1.070 20 0 GDADMM CC(=O)N1CCCN([C@H]2CN(C(=O)c3ccc(C(=O)[O-])c(F)c3)C[C@H]2C)CC1 ZINC000825833553 604331186 /nfs/dbraw/zinc/33/11/86/604331186.db2.gz DXVAZVQJOBGUIZ-ACJLOTCBSA-N -1 1 391.443 1.539 20 0 GDADMM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CCN(C[C@H](O)Cn2cccn2)CC1 ZINC000833173834 604357878 /nfs/dbraw/zinc/35/78/78/604357878.db2.gz WMFRWDNMLARHJK-DLBZAZTESA-N -1 1 378.860 1.341 20 0 GDADMM Cc1nn(C[C@@H](O)c2ccccc2Br)c(=O)c(-c2nn[n-]n2)c1C ZINC000826334095 607688049 /nfs/dbraw/zinc/68/80/49/607688049.db2.gz HQKDCYGVDLQGAT-GFCCVEGCSA-N -1 1 391.229 1.536 20 0 GDADMM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)Nc2ccccc2N2CCN(C)CC2)CCO1 ZINC000825327442 604447724 /nfs/dbraw/zinc/44/77/24/604447724.db2.gz QUGZFJLORDWOFJ-YOEHRIQHSA-N -1 1 391.472 1.327 20 0 GDADMM COc1ccc(CN2CCCN(C(=O)C[C@H]3CN(C(=O)[O-])CCO3)CC2)cc1 ZINC000829362796 604678096 /nfs/dbraw/zinc/67/80/96/604678096.db2.gz OQEHLLYHGINQBV-SFHVURJKSA-N -1 1 391.468 1.498 20 0 GDADMM Cc1nn(Cc2ccn(-c3c(F)cccc3F)n2)c(=O)c(-c2nn[n-]n2)c1C ZINC000826335022 607710521 /nfs/dbraw/zinc/71/05/21/607710521.db2.gz UIVYZVKXWIBIMU-UHFFFAOYSA-N -1 1 384.350 1.552 20 0 GDADMM CCOC[C@@H](C(=O)[O-])N(C)C(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000829954938 604734479 /nfs/dbraw/zinc/73/44/79/604734479.db2.gz LGUXOPRPWYSIFS-ZDUSSCGKSA-N -1 1 379.438 1.023 20 0 GDADMM C[C@H](NCC(=O)N1CCN(C(=O)[O-])CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000825486312 604769550 /nfs/dbraw/zinc/76/95/50/604769550.db2.gz WHPOCZGGQZWVGX-ZDUSSCGKSA-N -1 1 389.456 1.443 20 0 GDADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CC(=O)NCCC1=CCCCC1 ZINC000826295258 607719652 /nfs/dbraw/zinc/71/96/52/607719652.db2.gz ZCSRFOPKXMVTRN-UHFFFAOYSA-N -1 1 393.451 1.892 20 0 GDADMM 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380.405 1.693 20 0 GDADMM O=C([O-])N1CCSC[C@H]1CC(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000831413456 605309009 /nfs/dbraw/zinc/30/90/09/605309009.db2.gz ASRPVPLNFDOMFS-GFCCVEGCSA-N -1 1 379.417 1.713 20 0 GDADMM O=C([O-])N1CCSC[C@H]1CC(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000831413456 605309013 /nfs/dbraw/zinc/30/90/13/605309013.db2.gz ASRPVPLNFDOMFS-GFCCVEGCSA-N -1 1 379.417 1.713 20 0 GDADMM O=S(=O)(NC[C@]1(O)CCc2ccccc21)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826490181 607748201 /nfs/dbraw/zinc/74/82/01/607748201.db2.gz MABYDPRWQGRJLJ-QGZVFWFLSA-N -1 1 389.412 1.118 20 0 GDADMM CC1=C(C(=O)[O-])C[C@H](CN2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)O1 ZINC000833581376 605361073 /nfs/dbraw/zinc/36/10/73/605361073.db2.gz WZGSWOOJGIZJSH-CQSZACIVSA-N -1 1 384.436 1.601 20 0 GDADMM C[C@H](C(=O)Nc1sccc1C(N)=O)N1C[C@@H]2CCC[C@@H](NC(=O)[O-])[C@H]2C1 ZINC000833789036 605437740 /nfs/dbraw/zinc/43/77/40/605437740.db2.gz GAWKWQDJJXUBSN-RSLMWUCJSA-N -1 1 380.470 1.542 20 0 GDADMM 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LJDRCNFDXJDSBP-HIFRSBDPSA-N -1 1 388.468 1.173 20 0 GDADMM C[C@@H]1C[C@@H](CNC(=O)[O-])CN1CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000833827547 605895030 /nfs/dbraw/zinc/89/50/30/605895030.db2.gz BHAZYTSATPWPGX-JKIFEVAISA-N -1 1 379.432 1.704 20 0 GDADMM O=C([O-])Nc1ccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c([O-])c1 ZINC000834258030 605957041 /nfs/dbraw/zinc/95/70/41/605957041.db2.gz SFQVPUKFVDFNGL-JKSUJKDBSA-N -1 1 377.441 1.980 20 0 GDADMM C[C@@H]1[C@H](C)N(CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)CCN1C(=O)[O-] ZINC000833826352 606040255 /nfs/dbraw/zinc/04/02/55/606040255.db2.gz GUESOYIPJLVRMQ-WDEREUQCSA-N -1 1 382.848 1.840 20 0 GDADMM O=C([O-])N1CCC[C@@H](OCC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)C1 ZINC000834107374 606094767 /nfs/dbraw/zinc/09/47/67/606094767.db2.gz XGYHXMAEMHZGPE-UONOGXRCSA-N -1 1 377.445 1.547 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@@H](C)c2ncc(C)s2)cc1-c1nn[n-]n1 ZINC000821970461 606128258 /nfs/dbraw/zinc/12/82/58/606128258.db2.gz OBLMDDXWBMWTKX-ZETCQYMHSA-N -1 1 377.455 1.945 20 0 GDADMM CC(C)(C)OC(=O)N1CCC(=O)[C@H](OC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000819933255 606135722 /nfs/dbraw/zinc/13/57/22/606135722.db2.gz LHSAYKFVCUWDPN-SNVBAGLBSA-N -1 1 393.425 1.664 20 0 GDADMM CC(C)(C)OC(=O)N1CCC(=O)[C@H](OC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000819933255 606135723 /nfs/dbraw/zinc/13/57/23/606135723.db2.gz LHSAYKFVCUWDPN-SNVBAGLBSA-N -1 1 393.425 1.664 20 0 GDADMM COc1ccccc1CNC(=O)[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821898772 606137961 /nfs/dbraw/zinc/13/79/61/606137961.db2.gz RRYZHEHQIJCDNV-SNVBAGLBSA-N -1 1 387.421 1.799 20 0 GDADMM COc1ccccc1CNC(=O)[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821898772 606137963 /nfs/dbraw/zinc/13/79/63/606137963.db2.gz RRYZHEHQIJCDNV-SNVBAGLBSA-N -1 1 387.421 1.799 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)NCCOc1cccc(F)c1 ZINC000823026736 606138538 /nfs/dbraw/zinc/13/85/38/606138538.db2.gz DGYJZJMGUZRCDW-UHFFFAOYSA-N -1 1 391.384 1.419 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)NCCOc1cccc(F)c1 ZINC000823026736 606138539 /nfs/dbraw/zinc/13/85/39/606138539.db2.gz DGYJZJMGUZRCDW-UHFFFAOYSA-N -1 1 391.384 1.419 20 0 GDADMM Cc1nn(-c2ccccc2)c(COC(=O)[C@@H](C)c2cnn(C)c2)c1-c1nn[n-]n1 ZINC000822487066 606151174 /nfs/dbraw/zinc/15/11/74/606151174.db2.gz ZSCSZBSMHSJONB-LBPRGKRZSA-N -1 1 392.423 1.941 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H](c2nccn2C)c2ccccc2)n1 ZINC000822609509 606159841 /nfs/dbraw/zinc/15/98/41/606159841.db2.gz OTPNBHWEWWVNLV-CYBMUJFWSA-N -1 1 378.400 1.245 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H](c2nccn2C)c2ccccc2)n1 ZINC000822609509 606159843 /nfs/dbraw/zinc/15/98/43/606159843.db2.gz OTPNBHWEWWVNLV-CYBMUJFWSA-N -1 1 378.400 1.245 20 0 GDADMM COc1cccc(N2CC[C@H](CNC(=O)Nc3nn(C)cc3-c3nnn[n-]3)C2)c1 ZINC000821872690 606161464 /nfs/dbraw/zinc/16/14/64/606161464.db2.gz NUNAERLVSAGARP-GFCCVEGCSA-N -1 1 397.443 1.257 20 0 GDADMM COc1cccc(N2CC[C@H](CNC(=O)Nc3nn(C)cc3-c3nn[n-]n3)C2)c1 ZINC000821872690 606161466 /nfs/dbraw/zinc/16/14/66/606161466.db2.gz NUNAERLVSAGARP-GFCCVEGCSA-N -1 1 397.443 1.257 20 0 GDADMM COC(=O)C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000821658939 606162590 /nfs/dbraw/zinc/16/25/90/606162590.db2.gz MXKOPLILDRUJSN-GFCCVEGCSA-N -1 1 388.363 1.165 20 0 GDADMM COC(=O)C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000821658939 606162592 /nfs/dbraw/zinc/16/25/92/606162592.db2.gz MXKOPLILDRUJSN-GFCCVEGCSA-N -1 1 388.363 1.165 20 0 GDADMM Cc1ccc(OC2CCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CC2)cc1 ZINC000822263424 606165662 /nfs/dbraw/zinc/16/56/62/606165662.db2.gz OLLFDPKXOXPBDX-UHFFFAOYSA-N -1 1 382.428 1.984 20 0 GDADMM Cc1ccc(OC2CCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CC2)cc1 ZINC000822263424 606165664 /nfs/dbraw/zinc/16/56/64/606165664.db2.gz OLLFDPKXOXPBDX-UHFFFAOYSA-N -1 1 382.428 1.984 20 0 GDADMM Cc1oc(NC(=O)COC(=O)c2cnc3c(cnn3C)c2)c(-c2nn[n-]n2)c1C ZINC000822548726 606169565 /nfs/dbraw/zinc/16/95/65/606169565.db2.gz MWEXJSIGTXCMNG-UHFFFAOYSA-N -1 1 396.367 1.154 20 0 GDADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1cccc(N2CCCC2=O)c1 ZINC000820380792 606171665 /nfs/dbraw/zinc/17/16/65/606171665.db2.gz ZZTVATPEJARQNB-LLVKDONJSA-N -1 1 395.427 1.610 20 0 GDADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1cccc(N2CCCC2=O)c1 ZINC000820380792 606171667 /nfs/dbraw/zinc/17/16/67/606171667.db2.gz ZZTVATPEJARQNB-LLVKDONJSA-N -1 1 395.427 1.610 20 0 GDADMM CCCCCC(=O)NC1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC1 ZINC000821042548 606171834 /nfs/dbraw/zinc/17/18/34/606171834.db2.gz DUGCZDLIUJIUMP-UHFFFAOYSA-N -1 1 389.464 1.293 20 0 GDADMM CCCCCC(=O)NC1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC1 ZINC000821042548 606171835 /nfs/dbraw/zinc/17/18/35/606171835.db2.gz DUGCZDLIUJIUMP-UHFFFAOYSA-N -1 1 389.464 1.293 20 0 GDADMM CC(C)[C@H](CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)NC(=O)OC(C)(C)C ZINC000820021830 606172176 /nfs/dbraw/zinc/17/21/76/606172176.db2.gz ZEOJYEXXRHNCRX-NSHDSACASA-N -1 1 393.452 1.271 20 0 GDADMM CC(C)[C@H](CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)NC(=O)OC(C)(C)C ZINC000820021830 606172178 /nfs/dbraw/zinc/17/21/78/606172178.db2.gz ZEOJYEXXRHNCRX-NSHDSACASA-N -1 1 393.452 1.271 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)n1 ZINC000822609790 606173387 /nfs/dbraw/zinc/17/33/87/606173387.db2.gz VFGZTAJJYMEZCS-NSHDSACASA-N -1 1 391.436 1.025 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)n1 ZINC000822609790 606173389 /nfs/dbraw/zinc/17/33/89/606173389.db2.gz VFGZTAJJYMEZCS-NSHDSACASA-N -1 1 391.436 1.025 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCN(C(=O)OC(C)(C)C)C2CC2)n1 ZINC000822614002 606173523 /nfs/dbraw/zinc/17/35/23/606173523.db2.gz HSPRAKFOMWAOHW-UHFFFAOYSA-N -1 1 391.436 1.121 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCN(C(=O)OC(C)(C)C)C2CC2)n1 ZINC000822614002 606173524 /nfs/dbraw/zinc/17/35/24/606173524.db2.gz HSPRAKFOMWAOHW-UHFFFAOYSA-N -1 1 391.436 1.121 20 0 GDADMM Cc1ccc(N2C[C@@H](C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])CC2=O)cc1 ZINC000822240879 606194969 /nfs/dbraw/zinc/19/49/69/606194969.db2.gz CNKDFOODMKVQKV-ZDUSSCGKSA-N -1 1 378.392 1.872 20 0 GDADMM COC(=O)Nc1ccccc1OS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821665976 606201484 /nfs/dbraw/zinc/20/14/84/606201484.db2.gz OOMKLBASWVLACN-UHFFFAOYSA-N -1 1 393.356 1.952 20 0 GDADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2cc(-c3nn[nH]n3)ccc2F)o1 ZINC000821343817 606201503 /nfs/dbraw/zinc/20/15/03/606201503.db2.gz UTUUDQOQUPXKPY-UHFFFAOYSA-N -1 1 395.372 1.254 20 0 GDADMM COc1cc(OC)cc(N2CC[C@H](Nc3cccc(-c4nnn[n-]4)n3)C2=O)c1 ZINC000821723854 606240796 /nfs/dbraw/zinc/24/07/96/606240796.db2.gz KLDLRQRZTNMSFC-HNNXBMFYSA-N -1 1 381.396 1.496 20 0 GDADMM COc1cc(OC)cc(N2CC[C@H](Nc3cccc(-c4nn[n-]n4)n3)C2=O)c1 ZINC000821723854 606240798 /nfs/dbraw/zinc/24/07/98/606240798.db2.gz KLDLRQRZTNMSFC-HNNXBMFYSA-N -1 1 381.396 1.496 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000823478856 606296167 /nfs/dbraw/zinc/29/61/67/606296167.db2.gz VLBYJLVELLHXIO-AWEZNQCLSA-N -1 1 379.428 1.557 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000823478856 606296169 /nfs/dbraw/zinc/29/61/69/606296169.db2.gz VLBYJLVELLHXIO-AWEZNQCLSA-N -1 1 379.428 1.557 20 0 GDADMM O=C(CNC(=O)c1cc2ccccc2[nH]1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823002447 606296696 /nfs/dbraw/zinc/29/66/96/606296696.db2.gz YJIXYIAJBACDIN-UHFFFAOYSA-N -1 1 377.364 1.422 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000823289945 606298083 /nfs/dbraw/zinc/29/80/83/606298083.db2.gz QOWRWZUSZTYJMM-CYBMUJFWSA-N -1 1 385.428 1.439 20 0 GDADMM Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)Nc1cc(CN(C)C)ccn1 ZINC000822009747 606366196 /nfs/dbraw/zinc/36/61/96/606366196.db2.gz DFXIBJQITQOZHY-UHFFFAOYSA-N -1 1 396.455 1.612 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1nnc(-c2ccccc2)s1 ZINC000821601715 606443600 /nfs/dbraw/zinc/44/36/00/606443600.db2.gz WIEKUUSLRMQSQH-UHFFFAOYSA-N -1 1 382.457 1.760 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1nnc(-c2ccccc2)s1 ZINC000821601715 606443602 /nfs/dbraw/zinc/44/36/02/606443602.db2.gz WIEKUUSLRMQSQH-UHFFFAOYSA-N -1 1 382.457 1.760 20 0 GDADMM O=C(Nc1nccs1)[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000823383702 606507818 /nfs/dbraw/zinc/50/78/18/606507818.db2.gz XYLXGEYEBSETGC-MRVPVSSYSA-N -1 1 375.439 1.628 20 0 GDADMM O=C(Nc1nccs1)[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823383702 606507820 /nfs/dbraw/zinc/50/78/20/606507820.db2.gz XYLXGEYEBSETGC-MRVPVSSYSA-N -1 1 375.439 1.628 20 0 GDADMM O=C(NCc1cccnc1)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000823261337 606525163 /nfs/dbraw/zinc/52/51/63/606525163.db2.gz HPDIWSWTZXWTPG-UHFFFAOYSA-N -1 1 397.464 1.492 20 0 GDADMM O=C(NCc1cccnc1)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000823261337 606525165 /nfs/dbraw/zinc/52/51/65/606525165.db2.gz HPDIWSWTZXWTPG-UHFFFAOYSA-N -1 1 397.464 1.492 20 0 GDADMM O=C(Nc1ccccn1)[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000823373088 606528011 /nfs/dbraw/zinc/52/80/11/606528011.db2.gz QDZNBUPKJACYKG-NSHDSACASA-N -1 1 383.437 1.814 20 0 GDADMM O=C(Nc1ccccn1)[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000823373088 606528012 /nfs/dbraw/zinc/52/80/12/606528012.db2.gz QDZNBUPKJACYKG-NSHDSACASA-N -1 1 383.437 1.814 20 0 GDADMM O=C(N[C@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823139271 606543139 /nfs/dbraw/zinc/54/31/39/606543139.db2.gz BFLLBMRUBPVJHV-CQSZACIVSA-N -1 1 396.476 1.892 20 0 GDADMM O=C(N[C@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823139271 606543141 /nfs/dbraw/zinc/54/31/41/606543141.db2.gz BFLLBMRUBPVJHV-CQSZACIVSA-N -1 1 396.476 1.892 20 0 GDADMM CCc1nc(CN2CCC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)s3)C2)no1 ZINC000821510031 606558465 /nfs/dbraw/zinc/55/84/65/606558465.db2.gz SWVZQYQHOSODCY-JTQLQIEISA-N -1 1 388.457 1.268 20 0 GDADMM CCc1nc(CN2CCC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)s3)C2)no1 ZINC000821510031 606558466 /nfs/dbraw/zinc/55/84/66/606558466.db2.gz SWVZQYQHOSODCY-JTQLQIEISA-N -1 1 388.457 1.268 20 0 GDADMM NC(=O)C1(c2ccccc2)CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000822860074 606563658 /nfs/dbraw/zinc/56/36/58/606563658.db2.gz MTFIXLLDNHUABR-UHFFFAOYSA-N -1 1 382.449 1.588 20 0 GDADMM NC(=O)C1(c2ccccc2)CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000822860074 606563660 /nfs/dbraw/zinc/56/36/60/606563660.db2.gz MTFIXLLDNHUABR-UHFFFAOYSA-N -1 1 382.449 1.588 20 0 GDADMM Cc1nn(Cc2cccc(SC(=O)N(C)C)c2)c(=O)c(-c2nn[n-]n2)c1C ZINC000822501074 606589475 /nfs/dbraw/zinc/58/94/75/606589475.db2.gz UJBFNQVUZCJJLZ-UHFFFAOYSA-N -1 1 385.453 1.862 20 0 GDADMM CO[C@H](C)c1nc(CN2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)cs1 ZINC000821675467 606593621 /nfs/dbraw/zinc/59/36/21/606593621.db2.gz LZWGJKMTAWRKSB-GFCCVEGCSA-N -1 1 386.485 1.748 20 0 GDADMM CO[C@H](C)c1nc(CN2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)cs1 ZINC000821675467 606593623 /nfs/dbraw/zinc/59/36/23/606593623.db2.gz LZWGJKMTAWRKSB-GFCCVEGCSA-N -1 1 386.485 1.748 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@H]2CCC[C@H](C(F)(F)F)C2)n(C)c1=O ZINC000822600618 606595288 /nfs/dbraw/zinc/59/52/88/606595288.db2.gz OFGKOCQGLJUYTA-IUCAKERBSA-N -1 1 387.366 1.045 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC([C@H](O)c3ccccc3)CC2)n1 ZINC000822604451 606597313 /nfs/dbraw/zinc/59/73/13/606597313.db2.gz FEGHPPLUYKTCPW-OAHLLOKOSA-N -1 1 382.428 1.578 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC([C@H](O)c3ccccc3)CC2)n1 ZINC000822604451 606597315 /nfs/dbraw/zinc/59/73/15/606597315.db2.gz FEGHPPLUYKTCPW-OAHLLOKOSA-N -1 1 382.428 1.578 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC[C@@H]2CCO[C@H]2C(C)C)cc1-c1nn[n-]n1 ZINC000821979815 606600404 /nfs/dbraw/zinc/60/04/04/606600404.db2.gz YOTAXKRZRCTQOH-CABZTGNLSA-N -1 1 378.458 1.480 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cc(N2CCNC2=O)ccc1Cl ZINC000823435893 606649231 /nfs/dbraw/zinc/64/92/31/606649231.db2.gz CTVNBNHDRAZLHB-UHFFFAOYSA-N -1 1 399.798 1.802 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cc(N2CCNC2=O)ccc1Cl ZINC000823435893 606649232 /nfs/dbraw/zinc/64/92/32/606649232.db2.gz CTVNBNHDRAZLHB-UHFFFAOYSA-N -1 1 399.798 1.802 20 0 GDADMM COCCOc1cc(C)ccc1CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821693033 606697366 /nfs/dbraw/zinc/69/73/66/606697366.db2.gz OKROTTMLHZYHRL-UHFFFAOYSA-N -1 1 386.416 1.256 20 0 GDADMM COCCOc1cc(C)ccc1CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821693033 606697367 /nfs/dbraw/zinc/69/73/67/606697367.db2.gz OKROTTMLHZYHRL-UHFFFAOYSA-N -1 1 386.416 1.256 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H](c2ccccc2F)C2CCCC2)n(C)c1=O ZINC000822601136 606734411 /nfs/dbraw/zinc/73/44/11/606734411.db2.gz UHYMVHSJCBSTTC-OAHLLOKOSA-N -1 1 399.430 1.747 20 0 GDADMM CCOC(=O)C[C@@H](C)NC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000821326217 606756994 /nfs/dbraw/zinc/75/69/94/606756994.db2.gz VLLYIZHAUCPEKL-SECBINFHSA-N -1 1 390.469 1.933 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCc1ccccc1 ZINC000820788517 606767589 /nfs/dbraw/zinc/76/75/89/606767589.db2.gz IYVONKNWTMXMNQ-AWEZNQCLSA-N -1 1 393.455 1.120 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCc1ccccc1 ZINC000820788517 606767591 /nfs/dbraw/zinc/76/75/91/606767591.db2.gz IYVONKNWTMXMNQ-AWEZNQCLSA-N -1 1 393.455 1.120 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)NC1CCCCCC1 ZINC000820788961 606777371 /nfs/dbraw/zinc/77/73/71/606777371.db2.gz SDBNRRVPULFALR-AWEZNQCLSA-N -1 1 399.503 1.006 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)NC1CCCCCC1 ZINC000820788961 606777373 /nfs/dbraw/zinc/77/73/73/606777373.db2.gz SDBNRRVPULFALR-AWEZNQCLSA-N -1 1 399.503 1.006 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cc(-c2ccco2)on1 ZINC000820803727 606779049 /nfs/dbraw/zinc/77/90/49/606779049.db2.gz GJOAFOLBCXHOAS-LBPRGKRZSA-N -1 1 393.411 1.615 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1cc(-c2ccco2)on1 ZINC000820803727 606779051 /nfs/dbraw/zinc/77/90/51/606779051.db2.gz GJOAFOLBCXHOAS-LBPRGKRZSA-N -1 1 393.411 1.615 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N(CC(F)(F)F)C1CCCC1 ZINC000823601236 606794139 /nfs/dbraw/zinc/79/41/39/606794139.db2.gz XKBSGYKAXXERCB-UHFFFAOYSA-N -1 1 376.364 1.757 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N(CC(F)(F)F)C1CCCC1 ZINC000823601236 606794141 /nfs/dbraw/zinc/79/41/41/606794141.db2.gz XKBSGYKAXXERCB-UHFFFAOYSA-N -1 1 376.364 1.757 20 0 GDADMM CC[C@@H]1CCC[C@@H](NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)C1 ZINC000820971793 606794436 /nfs/dbraw/zinc/79/44/36/606794436.db2.gz GBTNZKMLRSBVHE-RRFJBIMHSA-N -1 1 399.503 1.846 20 0 GDADMM CC[C@@H]1CCC[C@@H](NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)C1 ZINC000820971793 606794438 /nfs/dbraw/zinc/79/44/38/606794438.db2.gz GBTNZKMLRSBVHE-RRFJBIMHSA-N -1 1 399.503 1.846 20 0 GDADMM CS(=O)(=O)N[C@H]1CCC[C@H]1CNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000821931988 606808059 /nfs/dbraw/zinc/80/80/59/606808059.db2.gz ICFGUWNVFYAWOS-AAEUAGOBSA-N -1 1 387.469 1.545 20 0 GDADMM CS(=O)(=O)N[C@H]1CCC[C@H]1CNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000821931988 606808061 /nfs/dbraw/zinc/80/80/61/606808061.db2.gz ICFGUWNVFYAWOS-AAEUAGOBSA-N -1 1 387.469 1.545 20 0 GDADMM Cc1cc(N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)nc(C2CC2)n1 ZINC000822207488 606809546 /nfs/dbraw/zinc/80/95/46/606809546.db2.gz YEFDGUGRSKLWIQ-GFCCVEGCSA-N -1 1 378.444 1.348 20 0 GDADMM Cc1cc(N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)nc(C2CC2)n1 ZINC000822207488 606809548 /nfs/dbraw/zinc/80/95/48/606809548.db2.gz YEFDGUGRSKLWIQ-GFCCVEGCSA-N -1 1 378.444 1.348 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)NC[C@@H](O)c2ccco2)c1-c1nn[n-]n1 ZINC000821988081 606810618 /nfs/dbraw/zinc/81/06/18/606810618.db2.gz BYOXJYYUYZETHQ-GFCCVEGCSA-N -1 1 386.437 1.917 20 0 GDADMM Nc1nsc(N2CCN(c3cc(-c4nnn[n-]4)nc4ccccc43)CC2)n1 ZINC000822912111 606822462 /nfs/dbraw/zinc/82/24/62/606822462.db2.gz NBROLXOWIOYIFS-UHFFFAOYSA-N -1 1 380.441 1.175 20 0 GDADMM Nc1nsc(N2CCN(c3cc(-c4nn[n-]n4)nc4ccccc43)CC2)n1 ZINC000822912111 606822464 /nfs/dbraw/zinc/82/24/64/606822464.db2.gz NBROLXOWIOYIFS-UHFFFAOYSA-N -1 1 380.441 1.175 20 0 GDADMM C[C@@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)c1ccccc1F ZINC000819856985 606822604 /nfs/dbraw/zinc/82/26/04/606822604.db2.gz NTFMOSHRDUKDSR-QWHCGFSZSA-N -1 1 396.430 1.637 20 0 GDADMM C[C@@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)c1ccccc1F ZINC000819856985 606822606 /nfs/dbraw/zinc/82/26/06/606822606.db2.gz NTFMOSHRDUKDSR-QWHCGFSZSA-N -1 1 396.430 1.637 20 0 GDADMM Cc1nc(C)c(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)s1 ZINC000822427274 606824340 /nfs/dbraw/zinc/82/43/40/606824340.db2.gz HUDPEOJMTILZRV-SECBINFHSA-N -1 1 385.457 1.081 20 0 GDADMM Cc1nc(C)c(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)s1 ZINC000822427274 606824342 /nfs/dbraw/zinc/82/43/42/606824342.db2.gz HUDPEOJMTILZRV-SECBINFHSA-N -1 1 385.457 1.081 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1ccccc1F ZINC000820774903 606824746 /nfs/dbraw/zinc/82/47/46/606824746.db2.gz GWYUVLLCPPJZJH-CYBMUJFWSA-N -1 1 396.430 1.466 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1ccccc1F ZINC000820774903 606824747 /nfs/dbraw/zinc/82/47/47/606824747.db2.gz GWYUVLLCPPJZJH-CYBMUJFWSA-N -1 1 396.430 1.466 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cccc(F)c1F ZINC000820788941 606825360 /nfs/dbraw/zinc/82/53/60/606825360.db2.gz RRXMHRGDEPVFLV-JTQLQIEISA-N -1 1 386.366 1.286 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cccc(F)c1F ZINC000820788941 606825361 /nfs/dbraw/zinc/82/53/61/606825361.db2.gz RRXMHRGDEPVFLV-JTQLQIEISA-N -1 1 386.366 1.286 20 0 GDADMM Cc1ccc([C@H](C)C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)o1 ZINC000822227906 606825468 /nfs/dbraw/zinc/82/54/68/606825468.db2.gz ZTVPILKEKHSHAZ-YPMHNXCESA-N -1 1 382.428 1.399 20 0 GDADMM Cc1ccc([C@H](C)C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)o1 ZINC000822227906 606825470 /nfs/dbraw/zinc/82/54/70/606825470.db2.gz ZTVPILKEKHSHAZ-YPMHNXCESA-N -1 1 382.428 1.399 20 0 GDADMM Cc1ccc(F)c(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1 ZINC000822240180 606832094 /nfs/dbraw/zinc/83/20/94/606832094.db2.gz WACVWUSYOSYWNN-GFCCVEGCSA-N -1 1 397.418 1.847 20 0 GDADMM Cc1ccc(F)c(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1 ZINC000822240180 606832096 /nfs/dbraw/zinc/83/20/96/606832096.db2.gz WACVWUSYOSYWNN-GFCCVEGCSA-N -1 1 397.418 1.847 20 0 GDADMM CC1CCC(CNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)CC1 ZINC000820690755 606832910 /nfs/dbraw/zinc/83/29/10/606832910.db2.gz RJYUSXARURFRQI-SLTAFYQDSA-N -1 1 399.503 1.703 20 0 GDADMM CC1CCC(CNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)CC1 ZINC000820690755 606832913 /nfs/dbraw/zinc/83/29/13/606832913.db2.gz RJYUSXARURFRQI-SLTAFYQDSA-N -1 1 399.503 1.703 20 0 GDADMM CN1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)Cc2ccccc21 ZINC000821628129 606843885 /nfs/dbraw/zinc/84/38/85/606843885.db2.gz ARTGSDYPJHNTLQ-UHFFFAOYSA-N -1 1 388.428 1.647 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H](C)C(=O)OC(C)(C)C ZINC000737198579 606932567 /nfs/dbraw/zinc/93/25/67/606932567.db2.gz BCUDKHVVWFUJDV-LLVKDONJSA-N -1 1 390.444 1.363 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000823483606 606939284 /nfs/dbraw/zinc/93/92/84/606939284.db2.gz KBGRIBJNIPJHQF-QWRGUYRKSA-N -1 1 375.410 1.486 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000823483606 606939286 /nfs/dbraw/zinc/93/92/86/606939286.db2.gz KBGRIBJNIPJHQF-QWRGUYRKSA-N -1 1 375.410 1.486 20 0 GDADMM Cn1ccc(C(=O)OCC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)c1 ZINC000822689191 606954427 /nfs/dbraw/zinc/95/44/27/606954427.db2.gz HVGOHAKBBUVQKI-UHFFFAOYSA-N -1 1 392.379 1.186 20 0 GDADMM Cn1ccc(C(=O)OCC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)c1 ZINC000822689191 606954429 /nfs/dbraw/zinc/95/44/29/606954429.db2.gz HVGOHAKBBUVQKI-UHFFFAOYSA-N -1 1 392.379 1.186 20 0 GDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc(Sc2ccccc2Cl)nn1 ZINC000822904405 606968471 /nfs/dbraw/zinc/96/84/71/606968471.db2.gz YDTAQZYIPMDUKJ-UHFFFAOYSA-N -1 1 399.827 1.929 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CCc3c[nH]nc3C2)c1-c1nn[n-]n1 ZINC000821990073 606985535 /nfs/dbraw/zinc/98/55/35/606985535.db2.gz PLDZLXUWHRPQCA-LLVKDONJSA-N -1 1 396.480 1.871 20 0 GDADMM CC(C)Cn1nc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)c2ccccc2c1=O ZINC000820112106 607023117 /nfs/dbraw/zinc/02/31/17/607023117.db2.gz JSZGSUWJKSRAAW-UHFFFAOYSA-N -1 1 396.436 1.941 20 0 GDADMM CC(C)Cn1nc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)c2ccccc2c1=O ZINC000820112106 607023119 /nfs/dbraw/zinc/02/31/19/607023119.db2.gz JSZGSUWJKSRAAW-UHFFFAOYSA-N -1 1 396.436 1.941 20 0 GDADMM Cc1occc1-c1nnc(Sc2ccc(Cl)c(-c3nnn[n-]3)n2)n1N ZINC000822552493 607028226 /nfs/dbraw/zinc/02/82/26/607028226.db2.gz BPVARIUOMCHJRU-UHFFFAOYSA-N -1 1 375.805 1.940 20 0 GDADMM Cc1occc1-c1nnc(Sc2ccc(Cl)c(-c3nn[n-]n3)n2)n1N ZINC000822552493 607028227 /nfs/dbraw/zinc/02/82/27/607028227.db2.gz BPVARIUOMCHJRU-UHFFFAOYSA-N -1 1 375.805 1.940 20 0 GDADMM O[C@@H](CNc1cccc(-c2nnn[n-]2)n1)COc1ccccc1Br ZINC000823689324 607032703 /nfs/dbraw/zinc/03/27/03/607032703.db2.gz DRNNYQMRZBWNRV-JTQLQIEISA-N -1 1 391.229 1.876 20 0 GDADMM O[C@@H](CNc1cccc(-c2nn[n-]n2)n1)COc1ccccc1Br ZINC000823689324 607032705 /nfs/dbraw/zinc/03/27/05/607032705.db2.gz DRNNYQMRZBWNRV-JTQLQIEISA-N -1 1 391.229 1.876 20 0 GDADMM Cc1nn(C)cc1[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000822496488 607051483 /nfs/dbraw/zinc/05/14/83/607051483.db2.gz ODSSYQDYOMFQJN-AWEZNQCLSA-N -1 1 391.432 1.574 20 0 GDADMM Cc1ccc(C2N=NC(=S)N2CC(=O)Nc2ncc(-c3nnn[n-]3)s2)cc1 ZINC000822214980 607103452 /nfs/dbraw/zinc/10/34/52/607103452.db2.gz HBAWROQLNAAUMH-UHFFFAOYSA-N -1 1 399.465 1.818 20 0 GDADMM Cc1ccc(C2N=NC(=S)N2CC(=O)Nc2ncc(-c3nn[n-]n3)s2)cc1 ZINC000822214980 607103454 /nfs/dbraw/zinc/10/34/54/607103454.db2.gz HBAWROQLNAAUMH-UHFFFAOYSA-N -1 1 399.465 1.818 20 0 GDADMM CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000819802452 607103956 /nfs/dbraw/zinc/10/39/56/607103956.db2.gz BWYOCTYNKCXMCK-CYBMUJFWSA-N -1 1 396.436 1.490 20 0 GDADMM CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000819802452 607103957 /nfs/dbraw/zinc/10/39/57/607103957.db2.gz BWYOCTYNKCXMCK-CYBMUJFWSA-N -1 1 396.436 1.490 20 0 GDADMM CC(C)(C)OC(=O)Nc1ccc(OC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000819946509 607157520 /nfs/dbraw/zinc/15/75/20/607157520.db2.gz MRAQPACSFGFUIF-UHFFFAOYSA-N -1 1 386.372 1.411 20 0 GDADMM CCS[C@@H](C)c1noc(Cn2nc(CC)c(CC)c(-c3nn[n-]n3)c2=O)n1 ZINC000821449490 607167247 /nfs/dbraw/zinc/16/72/47/607167247.db2.gz UIPKUILXTQNJRO-VIFPVBQESA-N -1 1 390.473 1.794 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000823136229 607206762 /nfs/dbraw/zinc/20/67/62/607206762.db2.gz PIKBWNONGAIXLR-UHFFFAOYSA-N -1 1 378.400 1.173 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000823122455 607208383 /nfs/dbraw/zinc/20/83/83/607208383.db2.gz BNIKLMKPOHVMPH-ZDUSSCGKSA-N -1 1 377.412 1.346 20 0 GDADMM C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820293175 607210043 /nfs/dbraw/zinc/21/00/43/607210043.db2.gz IBAZUYRXDWCFOQ-VIFPVBQESA-N -1 1 396.333 1.061 20 0 GDADMM CC(C)[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1cccc(C(F)(F)F)c1 ZINC000820026360 607212348 /nfs/dbraw/zinc/21/23/48/607212348.db2.gz IVNCMERYPHEHNB-ZDUSSCGKSA-N -1 1 394.361 1.991 20 0 GDADMM Cc1ccccc1C1(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)CCCCC1 ZINC000822350348 607212551 /nfs/dbraw/zinc/21/25/51/607212551.db2.gz CLOJUMQLFOTLDH-UHFFFAOYSA-N -1 1 380.456 1.785 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000823126642 607220621 /nfs/dbraw/zinc/22/06/21/607220621.db2.gz KTXXAQWNAIOPBV-QMMMGPOBSA-N -1 1 381.183 1.015 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000823126033 607222475 /nfs/dbraw/zinc/22/24/75/607222475.db2.gz FZHQPNHZYDUUCP-GFCCVEGCSA-N -1 1 398.818 1.352 20 0 GDADMM CC(=O)OC1CCN(C(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)CC1 ZINC000824004975 607795179 /nfs/dbraw/zinc/79/51/79/607795179.db2.gz IMCNIUOKRKNGAK-UHFFFAOYSA-N -1 1 388.428 1.071 20 0 GDADMM CC[C@H]1CN(C(=O)C(C)C)CC[C@@H]1NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000825201624 607803923 /nfs/dbraw/zinc/80/39/23/607803923.db2.gz INMIPISFNXTXMU-AAEUAGOBSA-N -1 1 389.464 1.005 20 0 GDADMM CC[C@H]1CN(C(=O)C(C)C)CC[C@@H]1NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000825201624 607803924 /nfs/dbraw/zinc/80/39/24/607803924.db2.gz INMIPISFNXTXMU-AAEUAGOBSA-N -1 1 389.464 1.005 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000826232607 607824917 /nfs/dbraw/zinc/82/49/17/607824917.db2.gz ABJOGEFQOXLZQH-KBRIMQKVSA-N -1 1 398.467 1.591 20 0 GDADMM CS(=O)(=O)c1cccc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826224105 607867830 /nfs/dbraw/zinc/86/78/30/607867830.db2.gz OPBHAGFDNDJWJG-UHFFFAOYSA-N -1 1 398.397 1.177 20 0 GDADMM CS(=O)(=O)c1cccc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826224105 607867831 /nfs/dbraw/zinc/86/78/31/607867831.db2.gz OPBHAGFDNDJWJG-UHFFFAOYSA-N -1 1 398.397 1.177 20 0 GDADMM CC[C@H](NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C)[C@H]1CCCO1 ZINC000825133564 607912235 /nfs/dbraw/zinc/91/22/35/607912235.db2.gz NTVKYMOVSIKFKG-JKSUJKDBSA-N -1 1 398.471 1.533 20 0 GDADMM CC[C@H](NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C)[C@H]1CCCO1 ZINC000825133564 607912236 /nfs/dbraw/zinc/91/22/36/607912236.db2.gz NTVKYMOVSIKFKG-JKSUJKDBSA-N -1 1 398.471 1.533 20 0 GDADMM CC(=O)Oc1cccc(OS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000824009768 607971597 /nfs/dbraw/zinc/97/15/97/607971597.db2.gz DDQCHDYZEYDQMW-UHFFFAOYSA-N -1 1 378.341 1.699 20 0 GDADMM CC(=O)Oc1cccc(OS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000824009768 607971598 /nfs/dbraw/zinc/97/15/98/607971598.db2.gz DDQCHDYZEYDQMW-UHFFFAOYSA-N -1 1 378.341 1.699 20 0 GDADMM O=C(Nc1ccc2c(c1)OCO2)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826455389 607988775 /nfs/dbraw/zinc/98/87/75/607988775.db2.gz LYSGJDJPGVCFEE-UHFFFAOYSA-N -1 1 394.395 1.241 20 0 GDADMM O=C(Nc1ccc2c(c1)OCO2)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826455389 607988776 /nfs/dbraw/zinc/98/87/76/607988776.db2.gz LYSGJDJPGVCFEE-UHFFFAOYSA-N -1 1 394.395 1.241 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C1CCC(F)(F)CC1 ZINC000825000571 607991672 /nfs/dbraw/zinc/99/16/72/607991672.db2.gz SNJAVEKHZYFHKX-LLVKDONJSA-N -1 1 392.414 1.519 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C1CCC(F)(F)CC1 ZINC000825000571 607991673 /nfs/dbraw/zinc/99/16/73/607991673.db2.gz SNJAVEKHZYFHKX-LLVKDONJSA-N -1 1 392.414 1.519 20 0 GDADMM CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825221286 607997379 /nfs/dbraw/zinc/99/73/79/607997379.db2.gz ZHYZIJZQQFCROV-JTMRULEUSA-N -1 1 388.453 1.769 20 0 GDADMM C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000824520745 607998524 /nfs/dbraw/zinc/99/85/24/607998524.db2.gz CWZULQFCFAXTAP-VIFPVBQESA-N -1 1 386.799 1.983 20 0 GDADMM O=C([O-])CCCCCCNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826461255 608010861 /nfs/dbraw/zinc/01/08/61/608010861.db2.gz MVZFFEQBIORRSQ-UHFFFAOYSA-N -1 1 389.384 1.458 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCc1nncn1C1CC1 ZINC000826232905 608012295 /nfs/dbraw/zinc/01/22/95/608012295.db2.gz MOSBPWOIMNRUQH-UHFFFAOYSA-N -1 1 384.400 1.187 20 0 GDADMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000826424991 608013713 /nfs/dbraw/zinc/01/37/13/608013713.db2.gz LKOVUXMEDYGKJH-UHFFFAOYSA-N -1 1 375.396 1.765 20 0 GDADMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000826424991 608013714 /nfs/dbraw/zinc/01/37/14/608013714.db2.gz LKOVUXMEDYGKJH-UHFFFAOYSA-N -1 1 375.396 1.765 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCCC[C@H]2CCc2ccccc2)n(C)c1=O ZINC000826355789 608018961 /nfs/dbraw/zinc/01/89/61/608018961.db2.gz NHRQANINTKILPY-HNNXBMFYSA-N -1 1 395.467 1.256 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCC(=O)C1CCOCC1 ZINC000826340758 608169259 /nfs/dbraw/zinc/16/92/59/608169259.db2.gz KAVLCMXVDZHLOT-UHFFFAOYSA-N -1 1 385.380 1.711 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCC(=O)C1CCOCC1 ZINC000826340758 608169260 /nfs/dbraw/zinc/16/92/60/608169260.db2.gz KAVLCMXVDZHLOT-UHFFFAOYSA-N -1 1 385.380 1.711 20 0 GDADMM CCN(CC(=O)OC)C(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000825398945 608198638 /nfs/dbraw/zinc/19/86/38/608198638.db2.gz BSQZNFKBLCCGTM-UHFFFAOYSA-N -1 1 376.442 1.496 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OC[C@H]1COC(C)(C)O1 ZINC000822010216 608206303 /nfs/dbraw/zinc/20/63/03/608206303.db2.gz SRZQDAPHXLGLTF-NSHDSACASA-N -1 1 377.401 1.211 20 0 GDADMM CCSc1cc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)ccn1 ZINC000825674043 608210515 /nfs/dbraw/zinc/21/05/15/608210515.db2.gz GQXCYPUFSKTQMJ-UHFFFAOYSA-N -1 1 387.473 1.384 20 0 GDADMM CCSc1cc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)ccn1 ZINC000825674043 608210517 /nfs/dbraw/zinc/21/05/17/608210517.db2.gz GQXCYPUFSKTQMJ-UHFFFAOYSA-N -1 1 387.473 1.384 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Cn1ccc2ccccc21 ZINC000825929103 608211411 /nfs/dbraw/zinc/21/14/11/608211411.db2.gz AQFLHWVNANSFQP-UHFFFAOYSA-N -1 1 379.428 1.218 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Cn1ccc2ccccc21 ZINC000825929103 608211413 /nfs/dbraw/zinc/21/14/13/608211413.db2.gz AQFLHWVNANSFQP-UHFFFAOYSA-N -1 1 379.428 1.218 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1sccc1OC(F)F ZINC000825934325 608211697 /nfs/dbraw/zinc/21/16/97/608211697.db2.gz MSIKETMJNWETPF-UHFFFAOYSA-N -1 1 398.399 1.540 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1sccc1OC(F)F ZINC000825934325 608211698 /nfs/dbraw/zinc/21/16/98/608211698.db2.gz MSIKETMJNWETPF-UHFFFAOYSA-N -1 1 398.399 1.540 20 0 GDADMM CS[C@@H](C)CCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000826225565 608313975 /nfs/dbraw/zinc/31/39/75/608313975.db2.gz FFEYCLQSQQCKEN-RYUDHWBXSA-N -1 1 376.490 1.226 20 0 GDADMM CS[C@@H](C)CCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000826225565 608313977 /nfs/dbraw/zinc/31/39/77/608313977.db2.gz FFEYCLQSQQCKEN-RYUDHWBXSA-N -1 1 376.490 1.226 20 0 GDADMM CCS(=O)(=O)CCN(C)Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000825662912 608318710 /nfs/dbraw/zinc/31/87/10/608318710.db2.gz DUIVGODKFNSXTK-UHFFFAOYSA-N -1 1 389.485 1.227 20 0 GDADMM O=C(C[N-]S(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F)OC1CCCCC1 ZINC000826412597 608338072 /nfs/dbraw/zinc/33/80/72/608338072.db2.gz VAXGWZQKDQKJJO-UHFFFAOYSA-N -1 1 397.432 1.301 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCCCc2ccccc2)n1 ZINC000824148271 608338212 /nfs/dbraw/zinc/33/82/12/608338212.db2.gz QSAPQJDGNKUXOD-UHFFFAOYSA-N -1 1 396.455 1.506 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCCCc2ccccc2)n1 ZINC000824148271 608338214 /nfs/dbraw/zinc/33/82/14/608338214.db2.gz QSAPQJDGNKUXOD-UHFFFAOYSA-N -1 1 396.455 1.506 20 0 GDADMM Cc1ccc([C@H](C)NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)cc1 ZINC000826282945 608343195 /nfs/dbraw/zinc/34/31/95/608343195.db2.gz GTSRFNWZMWNDDL-LBPRGKRZSA-N -1 1 396.455 1.943 20 0 GDADMM Cc1ccc([C@H](C)NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)cc1 ZINC000826282945 608343196 /nfs/dbraw/zinc/34/31/96/608343196.db2.gz GTSRFNWZMWNDDL-LBPRGKRZSA-N -1 1 396.455 1.943 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CC[C@H](C)[C@H](C)C1 ZINC000826327377 608384483 /nfs/dbraw/zinc/38/44/83/608384483.db2.gz FOQGGKIJDFDYOQ-NWDGAFQWSA-N -1 1 382.472 1.963 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CC[C@H](C)[C@H](C)C1 ZINC000826327377 608384486 /nfs/dbraw/zinc/38/44/86/608384486.db2.gz FOQGGKIJDFDYOQ-NWDGAFQWSA-N -1 1 382.472 1.963 20 0 GDADMM CCN(CC)S(=O)(=O)c1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000825417744 608391312 /nfs/dbraw/zinc/39/13/12/608391312.db2.gz UCKRHSLHEAWHNK-UHFFFAOYSA-N -1 1 388.457 1.299 20 0 GDADMM CCN(CC)S(=O)(=O)c1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000825417744 608391314 /nfs/dbraw/zinc/39/13/14/608391314.db2.gz UCKRHSLHEAWHNK-UHFFFAOYSA-N -1 1 388.457 1.299 20 0 GDADMM O=C(c1cccc2ccccc21)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826474499 608396238 /nfs/dbraw/zinc/39/62/38/608396238.db2.gz SHRMBGNIVZBRAG-UHFFFAOYSA-N -1 1 386.419 1.772 20 0 GDADMM O=C(c1cccc2ccccc21)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826474499 608396240 /nfs/dbraw/zinc/39/62/40/608396240.db2.gz SHRMBGNIVZBRAG-UHFFFAOYSA-N -1 1 386.419 1.772 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1cccnc1Cl ZINC000825929235 608408135 /nfs/dbraw/zinc/40/81/35/608408135.db2.gz DGPZDOVMUJYHRO-UHFFFAOYSA-N -1 1 376.812 1.317 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1cccnc1Cl ZINC000825929235 608408137 /nfs/dbraw/zinc/40/81/37/608408137.db2.gz DGPZDOVMUJYHRO-UHFFFAOYSA-N -1 1 376.812 1.317 20 0 GDADMM CCOc1ccc(C[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C(=O)OC)cc1 ZINC000825638725 608409763 /nfs/dbraw/zinc/40/97/63/608409763.db2.gz OJVVYRVKEOLDML-CYBMUJFWSA-N -1 1 383.412 1.499 20 0 GDADMM CCOc1ccc(C[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C(=O)OC)cc1 ZINC000825638725 608409766 /nfs/dbraw/zinc/40/97/66/608409766.db2.gz OJVVYRVKEOLDML-CYBMUJFWSA-N -1 1 383.412 1.499 20 0 GDADMM O[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826506375 608438190 /nfs/dbraw/zinc/43/81/90/608438190.db2.gz SXTFTCBPOYDEJH-YPMHNXCESA-N -1 1 377.330 1.988 20 0 GDADMM O[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826506375 608438191 /nfs/dbraw/zinc/43/81/91/608438191.db2.gz SXTFTCBPOYDEJH-YPMHNXCESA-N -1 1 377.330 1.988 20 0 GDADMM CN1CCO[C@@H]([C@@H](Nc2ccc(-c3nn[n-]n3)nn2)c2ccc(Cl)cc2)C1 ZINC000826044713 608440838 /nfs/dbraw/zinc/44/08/38/608440838.db2.gz JOBMMMWOJZNOJM-ZBFHGGJFSA-N -1 1 386.847 1.794 20 0 GDADMM CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000824235457 608531336 /nfs/dbraw/zinc/53/13/36/608531336.db2.gz HRQBGMSQAPCFQE-CQSZACIVSA-N -1 1 398.427 1.627 20 0 GDADMM CC[C@H](CSC)NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000825128826 608546835 /nfs/dbraw/zinc/54/68/35/608546835.db2.gz ZDRQCKUYZAWEEA-GFCCVEGCSA-N -1 1 388.501 1.717 20 0 GDADMM CC[C@H](CSC)NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000825128826 608546837 /nfs/dbraw/zinc/54/68/37/608546837.db2.gz ZDRQCKUYZAWEEA-GFCCVEGCSA-N -1 1 388.501 1.717 20 0 GDADMM COc1c(F)ccc(F)c1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826167148 608555108 /nfs/dbraw/zinc/55/51/08/608555108.db2.gz RBTLMPZWGPVFAW-UHFFFAOYSA-N -1 1 392.370 1.164 20 0 GDADMM COc1c(F)ccc(F)c1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826167148 608555109 /nfs/dbraw/zinc/55/51/09/608555109.db2.gz RBTLMPZWGPVFAW-UHFFFAOYSA-N -1 1 392.370 1.164 20 0 GDADMM Cc1ccc([C@H](C)[C@H](O)C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000826283418 608557555 /nfs/dbraw/zinc/55/75/55/608557555.db2.gz QMIFRZXRKZPSIU-LRDDRELGSA-N -1 1 398.471 1.036 20 0 GDADMM Cc1ccc([C@H](C)[C@H](O)C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000826283418 608557557 /nfs/dbraw/zinc/55/75/57/608557557.db2.gz QMIFRZXRKZPSIU-LRDDRELGSA-N -1 1 398.471 1.036 20 0 GDADMM Cc1ccc2[nH]c(C(=O)N(C)CCCc3[nH]nc(N)c3-c3nnn[n-]3)cc2c1 ZINC000826293354 608559638 /nfs/dbraw/zinc/55/96/38/608559638.db2.gz LWQKKVXOOYAOGJ-UHFFFAOYSA-N -1 1 379.428 1.667 20 0 GDADMM Cc1ccc2[nH]c(C(=O)N(C)CCCc3[nH]nc(N)c3-c3nn[n-]n3)cc2c1 ZINC000826293354 608559640 /nfs/dbraw/zinc/55/96/40/608559640.db2.gz LWQKKVXOOYAOGJ-UHFFFAOYSA-N -1 1 379.428 1.667 20 0 GDADMM C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(Cc3ccc(-c4nnn[n-]4)o3)CC2)C1 ZINC000824928430 608677467 /nfs/dbraw/zinc/67/74/67/608677467.db2.gz SKHDKSSVQRZXNX-HUUCEWRRSA-N -1 1 387.488 1.272 20 0 GDADMM C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(Cc3ccc(-c4nn[n-]n4)o3)CC2)C1 ZINC000824928430 608677468 /nfs/dbraw/zinc/67/74/68/608677468.db2.gz SKHDKSSVQRZXNX-HUUCEWRRSA-N -1 1 387.488 1.272 20 0 GDADMM Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC000826329077 608699234 /nfs/dbraw/zinc/69/92/34/608699234.db2.gz PLQLEQYAUXCFCD-INIZCTEOSA-N -1 1 394.464 1.557 20 0 GDADMM CCO[C@H](C)c1noc(CN2CCN(Cc3ccc(-c4nnn[n-]4)o3)CC2)n1 ZINC000825576593 608736572 /nfs/dbraw/zinc/73/65/72/608736572.db2.gz LEGVXUNXPCZESD-GFCCVEGCSA-N -1 1 388.432 1.258 20 0 GDADMM CCO[C@H](C)c1noc(CN2CCN(Cc3ccc(-c4nn[n-]n4)o3)CC2)n1 ZINC000825576593 608736575 /nfs/dbraw/zinc/73/65/75/608736575.db2.gz LEGVXUNXPCZESD-GFCCVEGCSA-N -1 1 388.432 1.258 20 0 GDADMM COc1cc(OC)cc(-n2nnnc2CN(C)Cc2ccc(-c3nnn[n-]3)o2)c1 ZINC000826181210 608831510 /nfs/dbraw/zinc/83/15/10/608831510.db2.gz PQSSFJNZBRSAHO-UHFFFAOYSA-N -1 1 397.399 1.085 20 0 GDADMM COc1cc(OC)cc(-n2nnnc2CN(C)Cc2ccc(-c3nn[n-]n3)o2)c1 ZINC000826181210 608831514 /nfs/dbraw/zinc/83/15/14/608831514.db2.gz PQSSFJNZBRSAHO-UHFFFAOYSA-N -1 1 397.399 1.085 20 0 GDADMM Cc1cc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cnc1Cl ZINC000826266113 608836269 /nfs/dbraw/zinc/83/62/69/608836269.db2.gz CHUIKFLTGNCXHA-GFCCVEGCSA-N -1 1 385.863 1.724 20 0 GDADMM Cc1cc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cnc1Cl ZINC000826266113 608836270 /nfs/dbraw/zinc/83/62/70/608836270.db2.gz CHUIKFLTGNCXHA-GFCCVEGCSA-N -1 1 385.863 1.724 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)Nc1ccc(CO)cc1 ZINC000826328326 608874707 /nfs/dbraw/zinc/87/47/07/608874707.db2.gz NNFDWNHMKIFVDL-UHFFFAOYSA-N -1 1 392.423 1.590 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)Nc1ccc(CO)cc1 ZINC000826328326 608874709 /nfs/dbraw/zinc/87/47/09/608874709.db2.gz NNFDWNHMKIFVDL-UHFFFAOYSA-N -1 1 392.423 1.590 20 0 GDADMM Brc1ccc(Cc2nc(Cn3ccnc3-c3nnn[n-]3)no2)cc1 ZINC000823827090 608889757 /nfs/dbraw/zinc/88/97/57/608889757.db2.gz UILMKIUEUBFKKD-UHFFFAOYSA-N -1 1 387.201 1.848 20 0 GDADMM Brc1ccc(Cc2nc(Cn3ccnc3-c3nn[n-]n3)no2)cc1 ZINC000823827090 608889758 /nfs/dbraw/zinc/88/97/58/608889758.db2.gz UILMKIUEUBFKKD-UHFFFAOYSA-N -1 1 387.201 1.848 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCC[C@@H]1CCCCO1 ZINC000826328005 609141702 /nfs/dbraw/zinc/14/17/02/609141702.db2.gz CFWWESOVMSTNNA-AWEZNQCLSA-N -1 1 398.471 1.534 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCC[C@@H]1CCCCO1 ZINC000826328005 609141705 /nfs/dbraw/zinc/14/17/05/609141705.db2.gz CFWWESOVMSTNNA-AWEZNQCLSA-N -1 1 398.471 1.534 20 0 GDADMM COc1ccc(C(=O)CCC(=O)n2ncc(-c3nn[n-]n3)c2N)c(Cl)c1 ZINC000826187564 609149968 /nfs/dbraw/zinc/14/99/68/609149968.db2.gz WESSIDVJEXDUCB-UHFFFAOYSA-N -1 1 375.776 1.611 20 0 GDADMM CCC[C@@H]1C[C@@H](C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CCO1 ZINC000825253177 609257302 /nfs/dbraw/zinc/25/73/02/609257302.db2.gz MKSZMASXCJZQGJ-NWDGAFQWSA-N -1 1 376.465 1.158 20 0 GDADMM CCC[C@@H]1C[C@@H](C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CCO1 ZINC000825253177 609257303 /nfs/dbraw/zinc/25/73/03/609257303.db2.gz MKSZMASXCJZQGJ-NWDGAFQWSA-N -1 1 376.465 1.158 20 0 GDADMM NC(=O)c1ccc(CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cc1 ZINC000826393466 609279443 /nfs/dbraw/zinc/27/94/43/609279443.db2.gz TUWGRWNTQHDLRR-UHFFFAOYSA-N -1 1 378.371 1.903 20 0 GDADMM Fc1cccc(-n2ccc(NCc3cn4cccnc4n3)n2)c1-c1nn[n-]n1 ZINC000826376921 609279636 /nfs/dbraw/zinc/27/96/36/609279636.db2.gz YHORKUYKDADFMU-UHFFFAOYSA-N -1 1 376.359 1.846 20 0 GDADMM C[C@@H](Oc1cccnc1)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824753058 609288258 /nfs/dbraw/zinc/28/82/58/609288258.db2.gz BOBBMVHKYQVVQE-LLVKDONJSA-N -1 1 394.370 1.993 20 0 GDADMM Cc1noc(CCC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)n1 ZINC000826339524 609291038 /nfs/dbraw/zinc/29/10/38/609291038.db2.gz HWIIJBXFCCKOKE-UHFFFAOYSA-N -1 1 383.347 1.454 20 0 GDADMM O=C(CCN1CCCC1=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826407682 609291342 /nfs/dbraw/zinc/29/13/42/609291342.db2.gz WUIAVBHDUYDOKW-UHFFFAOYSA-N -1 1 384.375 1.143 20 0 GDADMM NC(=O)c1ccc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)s1 ZINC000826393401 609293012 /nfs/dbraw/zinc/29/30/12/609293012.db2.gz QJDXLBIJWPBQDE-UHFFFAOYSA-N -1 1 398.383 1.604 20 0 GDADMM CC(C)(C)[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C[C@@H]1O ZINC000824078308 609294620 /nfs/dbraw/zinc/29/46/20/609294620.db2.gz HXZZXKRDCVPENP-OCCSQVGLSA-N -1 1 383.449 1.423 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCCc1ccccc1F ZINC000825929219 609299087 /nfs/dbraw/zinc/29/90/87/609299087.db2.gz CXRSRFQRXXZLBM-UHFFFAOYSA-N -1 1 387.423 1.128 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCCc1ccccc1F ZINC000825929219 609299088 /nfs/dbraw/zinc/29/90/88/609299088.db2.gz CXRSRFQRXXZLBM-UHFFFAOYSA-N -1 1 387.423 1.128 20 0 GDADMM COCc1ccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000826164514 609299150 /nfs/dbraw/zinc/29/91/50/609299150.db2.gz DOFPTUKMOKZPLY-UHFFFAOYSA-N -1 1 399.459 1.093 20 0 GDADMM COCc1ccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000826164514 609299152 /nfs/dbraw/zinc/29/91/52/609299152.db2.gz DOFPTUKMOKZPLY-UHFFFAOYSA-N -1 1 399.459 1.093 20 0 GDADMM CC[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccccc1 ZINC000825133000 609300232 /nfs/dbraw/zinc/30/02/32/609300232.db2.gz GVRAHHPOSDISIA-ZDUSSCGKSA-N -1 1 383.460 1.897 20 0 GDADMM CC[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccccc1 ZINC000825133000 609300234 /nfs/dbraw/zinc/30/02/34/609300234.db2.gz GVRAHHPOSDISIA-ZDUSSCGKSA-N -1 1 383.460 1.897 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCc1cc2ccccc2o1 ZINC000825929225 609300389 /nfs/dbraw/zinc/30/03/89/609300389.db2.gz DCPAHROIJRISND-UHFFFAOYSA-N -1 1 395.427 1.692 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCc1cc2ccccc2o1 ZINC000825929225 609300391 /nfs/dbraw/zinc/30/03/91/609300391.db2.gz DCPAHROIJRISND-UHFFFAOYSA-N -1 1 395.427 1.692 20 0 GDADMM Cc1ccc2c(c1)CC[C@H]2NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826294683 609301675 /nfs/dbraw/zinc/30/16/75/609301675.db2.gz YQYKPGBYIWUUEK-CQSZACIVSA-N -1 1 395.471 1.742 20 0 GDADMM Cc1ccc2c(c1)CC[C@H]2NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826294683 609301676 /nfs/dbraw/zinc/30/16/76/609301676.db2.gz YQYKPGBYIWUUEK-CQSZACIVSA-N -1 1 395.471 1.742 20 0 GDADMM CS[C@H]1CCC[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1 ZINC000826227115 609302992 /nfs/dbraw/zinc/30/29/92/609302992.db2.gz LYQJMCFXKHHSCF-QWRGUYRKSA-N -1 1 393.521 1.420 20 0 GDADMM CS[C@H]1CCC[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C1 ZINC000826227115 609302994 /nfs/dbraw/zinc/30/29/94/609302994.db2.gz LYQJMCFXKHHSCF-QWRGUYRKSA-N -1 1 393.521 1.420 20 0 GDADMM O=C(C=Cc1ccncn1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826403416 609313590 /nfs/dbraw/zinc/31/35/90/609313590.db2.gz RLEOKDVKYQMZKK-SNAWJCMRSA-N -1 1 377.343 1.633 20 0 GDADMM C[C@@H](CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C[C@H](C)O ZINC000824686285 609358065 /nfs/dbraw/zinc/35/80/65/609358065.db2.gz BDQMBICZSYYCCJ-MNOVXSKESA-N -1 1 388.407 1.720 20 0 GDADMM C[C@@H]1C[C@@H](NC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CCO1 ZINC000824892593 609362291 /nfs/dbraw/zinc/36/22/91/609362291.db2.gz KNOJYAONBGSTAE-MNOVXSKESA-N -1 1 386.391 1.881 20 0 GDADMM CC[C@H]1CN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C[C@H]1O ZINC000825200285 609363650 /nfs/dbraw/zinc/36/36/50/609363650.db2.gz ACMFDIHSXZMGLF-GXFFZTMASA-N -1 1 386.391 1.426 20 0 GDADMM CC[C@@H]1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1 ZINC000825204125 609367416 /nfs/dbraw/zinc/36/74/16/609367416.db2.gz PWKZZLIJIHYRHU-LLVKDONJSA-N -1 1 398.402 1.389 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@H](CO)Cc2ccccc2)cc1-c1nn[n-]n1 ZINC000826229471 609405031 /nfs/dbraw/zinc/40/50/31/609405031.db2.gz GATJEUZPDXORDX-NSHDSACASA-N -1 1 386.437 1.023 20 0 GDADMM O=C1[C@@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)CN1c1ccc(F)cc1 ZINC000826478084 609419261 /nfs/dbraw/zinc/41/92/61/609419261.db2.gz UBPUPYCABNJWML-AWEZNQCLSA-N -1 1 376.355 1.776 20 0 GDADMM O=C1[C@@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)CN1c1ccc(F)cc1 ZINC000826478084 609419264 /nfs/dbraw/zinc/41/92/64/609419264.db2.gz UBPUPYCABNJWML-AWEZNQCLSA-N -1 1 376.355 1.776 20 0 GDADMM CC(C)NS(=O)(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000824305173 609440973 /nfs/dbraw/zinc/44/09/73/609440973.db2.gz MMGMICPFIOLDNF-UHFFFAOYSA-N -1 1 378.483 1.928 20 0 GDADMM COc1ccc([C@H](OC)[C@H](C)NC(=O)Cc2noc(C)c2-c2nnn[n-]2)cc1 ZINC000826188945 609470289 /nfs/dbraw/zinc/47/02/89/609470289.db2.gz KDGGRPRUBGPJHC-DYZYQPBXSA-N -1 1 386.412 1.607 20 0 GDADMM COc1ccc([C@H](OC)[C@H](C)NC(=O)Cc2noc(C)c2-c2nn[n-]n2)cc1 ZINC000826188945 609470292 /nfs/dbraw/zinc/47/02/92/609470292.db2.gz KDGGRPRUBGPJHC-DYZYQPBXSA-N -1 1 386.412 1.607 20 0 GDADMM Cc1oc(NC(=O)COC(=O)[C@H](c2ccccc2)N(C)C)c(-c2nn[n-]n2)c1C ZINC000826342281 609621639 /nfs/dbraw/zinc/62/16/39/609621639.db2.gz DLPPUEOKDSXMIW-INIZCTEOSA-N -1 1 398.423 1.861 20 0 GDADMM CC[C@H]1C[C@@H](C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CCO1 ZINC000825184576 609624475 /nfs/dbraw/zinc/62/44/75/609624475.db2.gz WIOKFRMWSQMVRM-RYUDHWBXSA-N -1 1 377.401 1.763 20 0 GDADMM NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)n[nH]2)cc1 ZINC000531257936 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ZINC001571261223 945425530 /nfs/dbraw/zinc/42/55/30/945425530.db2.gz BUGQBQKOFUHKSB-JTQLQIEISA-N -1 1 385.457 1.074 20 0 GDADMM CCc1ncsc1C(=O)NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571261223 945425536 /nfs/dbraw/zinc/42/55/36/945425536.db2.gz BUGQBQKOFUHKSB-JTQLQIEISA-N -1 1 385.457 1.074 20 0 GDADMM CC(C)c1nc(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)cs1 ZINC001571261472 945427404 /nfs/dbraw/zinc/42/74/04/945427404.db2.gz GECAMNGFJGQYEC-AOOOYVTPSA-N -1 1 385.457 1.610 20 0 GDADMM CC(C)c1nc(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)cs1 ZINC001571261472 945427407 /nfs/dbraw/zinc/42/74/07/945427407.db2.gz GECAMNGFJGQYEC-AOOOYVTPSA-N -1 1 385.457 1.610 20 0 GDADMM CCc1nc(N[C@@H]2CCCN(C(=O)c3cncs3)C2)cc(-c2nnn[n-]2)n1 ZINC001571261678 945429444 /nfs/dbraw/zinc/42/94/44/945429444.db2.gz IGAAKNHDCZKJOF-SNVBAGLBSA-N -1 1 385.457 1.392 20 0 GDADMM CCc1nc(N[C@@H]2CCCN(C(=O)c3cncs3)C2)cc(-c2nn[n-]n2)n1 ZINC001571261678 945429447 /nfs/dbraw/zinc/42/94/47/945429447.db2.gz IGAAKNHDCZKJOF-SNVBAGLBSA-N -1 1 385.457 1.392 20 0 GDADMM O=C(NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1)c1coc(C2CCC2)n1 ZINC001571261895 945432966 /nfs/dbraw/zinc/43/29/66/945432966.db2.gz LVXNUVFWCREFNX-UHFFFAOYSA-N -1 1 385.453 1.798 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccns2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571261883 945433197 /nfs/dbraw/zinc/43/31/97/945433197.db2.gz LKVSWROFKWAKIK-MNOVXSKESA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccns2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571261883 945433207 /nfs/dbraw/zinc/43/32/07/945433207.db2.gz LKVSWROFKWAKIK-MNOVXSKESA-N -1 1 385.457 1.466 20 0 GDADMM CCc1nc(N[C@@H]2CCCN(C(=O)c3nccs3)C2)cc(-c2nnn[n-]2)n1 ZINC001571262513 945436820 /nfs/dbraw/zinc/43/68/20/945436820.db2.gz SCBLCGHYLUZUHV-SNVBAGLBSA-N -1 1 385.457 1.392 20 0 GDADMM CCc1nc(N[C@@H]2CCCN(C(=O)c3nccs3)C2)cc(-c2nn[n-]n2)n1 ZINC001571262513 945436827 /nfs/dbraw/zinc/43/68/27/945436827.db2.gz SCBLCGHYLUZUHV-SNVBAGLBSA-N -1 1 385.457 1.392 20 0 GDADMM C[C@@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)Cc1cncs1 ZINC001571262762 945441794 /nfs/dbraw/zinc/44/17/94/945441794.db2.gz XCPOTOWJWXFKKF-MNOVXSKESA-N -1 1 385.457 1.147 20 0 GDADMM C[C@@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)Cc1cncs1 ZINC001571262762 945441803 /nfs/dbraw/zinc/44/18/03/945441803.db2.gz XCPOTOWJWXFKKF-MNOVXSKESA-N -1 1 385.457 1.147 20 0 GDADMM Cc1ncsc1C(=O)N1CC[C@H](N(C)c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571262814 945443337 /nfs/dbraw/zinc/44/33/37/945443337.db2.gz YXENKEJOCXXGBE-NSHDSACASA-N -1 1 385.457 1.081 20 0 GDADMM Cc1ncsc1C(=O)N1CC[C@H](N(C)c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571262814 945443343 /nfs/dbraw/zinc/44/33/43/945443343.db2.gz YXENKEJOCXXGBE-NSHDSACASA-N -1 1 385.457 1.081 20 0 GDADMM Cc1nsc(NC[C@@H]2CCN(C(=O)c3ccnnc3C)C2)c1-c1nn[n-]n1 ZINC001571262942 945445661 /nfs/dbraw/zinc/44/56/61/945445661.db2.gz CUCGCXSHGXNXRF-NSHDSACASA-N -1 1 385.457 1.304 20 0 GDADMM Cc1ncsc1C(=O)N(C)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571263035 945447929 /nfs/dbraw/zinc/44/79/29/945447929.db2.gz GCWYPAKJGQFENN-UHFFFAOYSA-N -1 1 385.457 1.163 20 0 GDADMM Cc1ncsc1C(=O)N(C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571263035 945447931 /nfs/dbraw/zinc/44/79/31/945447931.db2.gz GCWYPAKJGQFENN-UHFFFAOYSA-N -1 1 385.457 1.163 20 0 GDADMM Cc1csc(CCC(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571263114 945449532 /nfs/dbraw/zinc/44/95/32/945449532.db2.gz HSLSHQKFLWTWDY-LLVKDONJSA-N -1 1 385.457 1.067 20 0 GDADMM Cc1csc(CCC(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571263114 945449537 /nfs/dbraw/zinc/44/95/37/945449537.db2.gz HSLSHQKFLWTWDY-LLVKDONJSA-N -1 1 385.457 1.067 20 0 GDADMM Cc1nsc(N[C@H]2CC[C@H](NC(=O)c3ccnnc3)CC2)c1-c1nn[n-]n1 ZINC001571263311 945456050 /nfs/dbraw/zinc/45/60/50/945456050.db2.gz MOXSSIQFFLJIPY-HAQNSBGRSA-N -1 1 385.457 1.575 20 0 GDADMM Cc1nsc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2CC3(CCC3)C2)c1-c1nn[n-]n1 ZINC001571265360 945509728 /nfs/dbraw/zinc/50/97/28/945509728.db2.gz IEQNFUMCZXZQQU-IMRBUKKESA-N -1 1 385.497 1.763 20 0 GDADMM CC(C)[C@@H](O)C(=O)N1CC[C@@H](CNc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571265694 945519772 /nfs/dbraw/zinc/51/97/72/945519772.db2.gz OXMRPWMPVZSPMP-WCBMZHEXSA-N -1 1 385.881 1.254 20 0 GDADMM CC(C)[C@@H](O)C(=O)N1CC[C@@H](CNc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571265694 945519776 /nfs/dbraw/zinc/51/97/76/945519776.db2.gz OXMRPWMPVZSPMP-WCBMZHEXSA-N -1 1 385.881 1.254 20 0 GDADMM O=C(c1cccc(F)c1F)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571266850 945554384 /nfs/dbraw/zinc/55/43/84/945554384.db2.gz AGFINRVVYZRNQE-SNVBAGLBSA-N -1 1 386.366 1.652 20 0 GDADMM O=C(c1cccc(F)c1F)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571266850 945554390 /nfs/dbraw/zinc/55/43/90/945554390.db2.gz AGFINRVVYZRNQE-SNVBAGLBSA-N -1 1 386.366 1.652 20 0 GDADMM O=C(N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccc(C(F)F)cc1 ZINC001571267111 945561251 /nfs/dbraw/zinc/56/12/51/945561251.db2.gz JKIARYZJXAPILC-GFCCVEGCSA-N -1 1 386.366 1.603 20 0 GDADMM O=C(N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccc(C(F)F)cc1 ZINC001571267111 945561255 /nfs/dbraw/zinc/56/12/55/945561255.db2.gz JKIARYZJXAPILC-GFCCVEGCSA-N -1 1 386.366 1.603 20 0 GDADMM CC[C@@H](C)NC(=O)c1cccc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC000820875903 945580010 /nfs/dbraw/zinc/58/00/10/945580010.db2.gz IFLUIRLQXFCXLU-LLVKDONJSA-N -1 1 397.443 1.450 20 0 GDADMM CC[C@@H](C)NC(=O)c1cccc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC000820875903 945580014 /nfs/dbraw/zinc/58/00/14/945580014.db2.gz IFLUIRLQXFCXLU-LLVKDONJSA-N -1 1 397.443 1.450 20 0 GDADMM Cc1nsc(NC[C@H]2CCCN2C(=O)c2ncccc2[O-])c1-c1nn[nH]n1 ZINC001571270021 945629372 /nfs/dbraw/zinc/62/93/72/945629372.db2.gz KUJDJUXZKUZLMJ-SNVBAGLBSA-N -1 1 386.441 1.449 20 0 GDADMM Cc1ncoc1C(=O)N1CC[C@H]2CN(c3snc(C)c3-c3nn[n-]n3)C[C@H]21 ZINC001571270044 945631610 /nfs/dbraw/zinc/63/16/10/945631610.db2.gz LFZNGIFLFCDTBT-WDEREUQCSA-N -1 1 386.441 1.279 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)COc1ccsc1 ZINC001571270050 945632058 /nfs/dbraw/zinc/63/20/58/945632058.db2.gz LKQSABDSFVGRGH-PWSUYJOCSA-N -1 1 386.441 1.199 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)COc1ccsc1 ZINC001571270050 945632065 /nfs/dbraw/zinc/63/20/65/945632065.db2.gz LKQSABDSFVGRGH-PWSUYJOCSA-N -1 1 386.441 1.199 20 0 GDADMM C[C@@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CN1C(=O)COc1ccsc1 ZINC001571270226 945633088 /nfs/dbraw/zinc/63/30/88/945633088.db2.gz NXCXVUHCRPFBJO-MNOVXSKESA-N -1 1 386.441 1.199 20 0 GDADMM C[C@@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CN1C(=O)COc1ccsc1 ZINC001571270226 945633092 /nfs/dbraw/zinc/63/30/92/945633092.db2.gz NXCXVUHCRPFBJO-MNOVXSKESA-N -1 1 386.441 1.199 20 0 GDADMM CCOC(=O)c1csc(CCNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)n1 ZINC001571270562 945639170 /nfs/dbraw/zinc/63/91/70/945639170.db2.gz VEPDTTRIKBTSKF-UHFFFAOYSA-N -1 1 386.441 1.822 20 0 GDADMM CCOC(=O)c1csc(CCNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)n1 ZINC001571270562 945639178 /nfs/dbraw/zinc/63/91/78/945639178.db2.gz VEPDTTRIKBTSKF-UHFFFAOYSA-N -1 1 386.441 1.822 20 0 GDADMM Cc1nsc(NCC2CC(NC(=O)c3ccn(C)c3C)C2)c1-c1nn[n-]n1 ZINC001571271781 945650929 /nfs/dbraw/zinc/65/09/29/945650929.db2.gz JMMSKUHTBXPIMB-UHFFFAOYSA-N -1 1 386.485 1.899 20 0 GDADMM O=C(C[C@@H]1CCCOC1)N1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571272192 945656246 /nfs/dbraw/zinc/65/62/46/945656246.db2.gz AUYBZARPWJMRDA-KBPBESRZSA-N -1 1 386.460 1.266 20 0 GDADMM O=C(C[C@@H]1CCCOC1)N1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571272192 945656251 /nfs/dbraw/zinc/65/62/51/945656251.db2.gz AUYBZARPWJMRDA-KBPBESRZSA-N -1 1 386.460 1.266 20 0 GDADMM COC1CC(C(=O)N2CCC([C@@H](C)Nc3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001571272418 945662445 /nfs/dbraw/zinc/66/24/45/945662445.db2.gz DKEYXDZPGFZLKM-LMWSTFAQSA-N -1 1 386.460 1.121 20 0 GDADMM COC1CC(C(=O)N2CCC([C@@H](C)Nc3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001571272418 945662454 /nfs/dbraw/zinc/66/24/54/945662454.db2.gz DKEYXDZPGFZLKM-LMWSTFAQSA-N -1 1 386.460 1.121 20 0 GDADMM CCc1c(C(=O)N2CC[C@H](Nc3snc(C)c3-c3nn[n-]n3)C2)ccn1C ZINC001571272787 945672126 /nfs/dbraw/zinc/67/21/26/945672126.db2.gz ZZWUQJPCGSTRGK-NSHDSACASA-N -1 1 386.485 1.859 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)[C@@H]2CN(C(=O)C3CCCC3)CCO2)n1 ZINC001571273195 945681611 /nfs/dbraw/zinc/68/16/11/945681611.db2.gz SJLRHGSIDLGPRJ-DOMZBBRYSA-N -1 1 386.460 1.183 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)[C@@H]2CN(C(=O)C3CCCC3)CCO2)n1 ZINC001571273195 945681618 /nfs/dbraw/zinc/68/16/18/945681618.db2.gz SJLRHGSIDLGPRJ-DOMZBBRYSA-N -1 1 386.460 1.183 20 0 GDADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC001571275897 945718982 /nfs/dbraw/zinc/71/89/82/945718982.db2.gz FEEUOCNWDKIPPA-BQPHKTIFSA-N -1 1 386.456 1.677 20 0 GDADMM Cc1nc(C(C)C)oc1C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1 ZINC001571276199 945727803 /nfs/dbraw/zinc/72/78/03/945727803.db2.gz FIANWZCQYSYXDH-UHFFFAOYSA-N -1 1 387.404 1.099 20 0 GDADMM Cc1nc(C(C)C)oc1C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1 ZINC001571276199 945727809 /nfs/dbraw/zinc/72/78/09/945727809.db2.gz FIANWZCQYSYXDH-UHFFFAOYSA-N -1 1 387.404 1.099 20 0 GDADMM CC1(C)CO[C@@H](CCC(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571276607 945731440 /nfs/dbraw/zinc/73/14/40/945731440.db2.gz JMAOPLSUNSTGAX-STQMWFEESA-N -1 1 386.460 1.265 20 0 GDADMM CC1(C)CO[C@@H](CCC(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571276607 945731452 /nfs/dbraw/zinc/73/14/52/945731452.db2.gz JMAOPLSUNSTGAX-STQMWFEESA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CCN(C(=O)C[C@@H]2CCCO2)CC1 ZINC001571277602 945744751 /nfs/dbraw/zinc/74/47/51/945744751.db2.gz MKKXZNKYXBDUJG-OCCSQVGLSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CCN(C(=O)C[C@@H]2CCCO2)CC1 ZINC001571277602 945744765 /nfs/dbraw/zinc/74/47/65/945744765.db2.gz MKKXZNKYXBDUJG-OCCSQVGLSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H]1OCC[C@@H]1C(=O)N1CCC(CCNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571278507 945752781 /nfs/dbraw/zinc/75/27/81/945752781.db2.gz OMCLIJRUPHKURN-JSGCOSHPSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H]1OCC[C@@H]1C(=O)N1CCC(CCNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571278507 945752790 /nfs/dbraw/zinc/75/27/90/945752790.db2.gz OMCLIJRUPHKURN-JSGCOSHPSA-N -1 1 386.460 1.122 20 0 GDADMM Cc1c(CS(C)(=O)=O)cccc1NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001571279188 945771346 /nfs/dbraw/zinc/77/13/46/945771346.db2.gz KSLWVEPJOORUND-UHFFFAOYSA-N -1 1 387.425 1.759 20 0 GDADMM Cc1c(CS(C)(=O)=O)cccc1NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001571279188 945771349 /nfs/dbraw/zinc/77/13/49/945771349.db2.gz KSLWVEPJOORUND-UHFFFAOYSA-N -1 1 387.425 1.759 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)CC1)[C@@H]1CCCO1 ZINC001571279639 945784258 /nfs/dbraw/zinc/78/42/58/945784258.db2.gz XHBBCQWQBZKBKS-BHPKHCPMSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)CC1)[C@@H]1CCCO1 ZINC001571279639 945784266 /nfs/dbraw/zinc/78/42/66/945784266.db2.gz XHBBCQWQBZKBKS-BHPKHCPMSA-N -1 1 386.460 1.311 20 0 GDADMM Cc1cc[nH]c1C(=O)NC[C@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001571282237 945836679 /nfs/dbraw/zinc/83/66/79/945836679.db2.gz VTHPVNDFYDNHFF-LBPRGKRZSA-N -1 1 387.469 1.196 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1cc(Cl)c[nH]1 ZINC001571285561 945920145 /nfs/dbraw/zinc/92/01/45/945920145.db2.gz IDVKOAXAHBAHRO-ONGXEEELSA-N -1 1 387.835 1.649 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1cc(Cl)c[nH]1 ZINC001571285561 945920153 /nfs/dbraw/zinc/92/01/53/945920153.db2.gz IDVKOAXAHBAHRO-ONGXEEELSA-N -1 1 387.835 1.649 20 0 GDADMM CC1(C)CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1NC(=O)c1sccc1F ZINC001571286571 945952015 /nfs/dbraw/zinc/95/20/15/945952015.db2.gz LGZICIDDHCOXMY-LLVKDONJSA-N -1 1 388.432 1.502 20 0 GDADMM CC1(C)CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)c1sccc1F ZINC001571286571 945952025 /nfs/dbraw/zinc/95/20/25/945952025.db2.gz LGZICIDDHCOXMY-LLVKDONJSA-N -1 1 388.432 1.502 20 0 GDADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H]1CCCN(C(=O)C2(F)CCCC2)C1 ZINC001571288941 945996028 /nfs/dbraw/zinc/99/60/28/945996028.db2.gz UVASRFVSAOJXLS-STQMWFEESA-N -1 1 388.451 1.978 20 0 GDADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H]1CCCN(C(=O)C2(F)CCCC2)C1 ZINC001571288941 945996037 /nfs/dbraw/zinc/99/60/37/945996037.db2.gz UVASRFVSAOJXLS-STQMWFEESA-N -1 1 388.451 1.978 20 0 GDADMM Cc1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c(OC(C)C)c1 ZINC001571289342 946003187 /nfs/dbraw/zinc/00/31/87/946003187.db2.gz AANOOUXEAHBMHP-UHFFFAOYSA-N -1 1 388.453 1.836 20 0 GDADMM Cc1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c(OC(C)C)c1 ZINC001571289342 946003197 /nfs/dbraw/zinc/00/31/97/946003197.db2.gz AANOOUXEAHBMHP-UHFFFAOYSA-N -1 1 388.453 1.836 20 0 GDADMM Cc1nc(C(=O)N2CCC[C@H](CNc3snc(C)c3-c3nn[n-]n3)C2)co1 ZINC001571289439 946006306 /nfs/dbraw/zinc/00/63/06/946006306.db2.gz DLCKXMOJEBDPAS-LLVKDONJSA-N -1 1 388.457 1.892 20 0 GDADMM Cc1nsc(N[C@@H](C)[C@@H]2CCCCN2C(=O)c2nc[nH]n2)c1-c1nn[n-]n1 ZINC001571289741 946016981 /nfs/dbraw/zinc/01/69/81/946016981.db2.gz LMSYMRYAIFOQGX-WPRPVWTQSA-N -1 1 388.461 1.245 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)CC1)[C@H]1CC[C@H](F)C1 ZINC001571289840 946019712 /nfs/dbraw/zinc/01/97/12/946019712.db2.gz NQDUOMWRMDPFNG-XUXIUFHCSA-N -1 1 388.451 1.882 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)CC1)[C@H]1CC[C@H](F)C1 ZINC001571289840 946019723 /nfs/dbraw/zinc/01/97/23/946019723.db2.gz NQDUOMWRMDPFNG-XUXIUFHCSA-N -1 1 388.451 1.882 20 0 GDADMM CC[C@H](F)C(=O)N1CC2(C[C@H]1C)CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571290042 946025865 /nfs/dbraw/zinc/02/58/65/946025865.db2.gz TXTLBDVHOOXSBT-OLZOCXBDSA-N -1 1 388.451 1.612 20 0 GDADMM CC[C@H](F)C(=O)N1CC2(C[C@H]1C)CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001571290042 946025871 /nfs/dbraw/zinc/02/58/71/946025871.db2.gz TXTLBDVHOOXSBT-OLZOCXBDSA-N -1 1 388.451 1.612 20 0 GDADMM CCc1nc(NC[C@@H]2CCCN2C(=O)[C@@H](OC)C(C)C)cc(-c2nnn[n-]2)n1 ZINC001571290086 946028915 /nfs/dbraw/zinc/02/89/15/946028915.db2.gz VBMCDYZGOWBYEO-LRDDRELGSA-N -1 1 388.476 1.293 20 0 GDADMM CCc1nc(NC[C@@H]2CCCN2C(=O)[C@@H](OC)C(C)C)cc(-c2nn[n-]n2)n1 ZINC001571290086 946028922 /nfs/dbraw/zinc/02/89/22/946028922.db2.gz VBMCDYZGOWBYEO-LRDDRELGSA-N -1 1 388.476 1.293 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NCC2CCN(C(=O)[C@H]3CC[C@H](F)C3)CC2)n1 ZINC001571290194 946030640 /nfs/dbraw/zinc/03/06/40/946030640.db2.gz XMHSIINIEUBINO-KBPBESRZSA-N -1 1 388.451 1.754 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NCC2CCN(C(=O)[C@H]3CC[C@H](F)C3)CC2)n1 ZINC001571290194 946030654 /nfs/dbraw/zinc/03/06/54/946030654.db2.gz XMHSIINIEUBINO-KBPBESRZSA-N -1 1 388.451 1.754 20 0 GDADMM Cc1occc1C(=O)NC[C@@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001571290251 946033743 /nfs/dbraw/zinc/03/37/43/946033743.db2.gz YSSKWASZBOCQBK-GFCCVEGCSA-N -1 1 388.453 1.460 20 0 GDADMM O=C([C@@H]1CCC[C@H](F)C1)N1CCC(CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001571290254 946033924 /nfs/dbraw/zinc/03/39/24/946033924.db2.gz YSTQZQXEJWGPER-KGLIPLIRSA-N -1 1 388.451 1.836 20 0 GDADMM O=C([C@@H]1CCC[C@H](F)C1)N1CCC(CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001571290254 946033937 /nfs/dbraw/zinc/03/39/37/946033937.db2.gz YSTQZQXEJWGPER-KGLIPLIRSA-N -1 1 388.451 1.836 20 0 GDADMM O=C([C@H]1CCC[C@H](F)C1)N1CCC(CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001571290253 946035861 /nfs/dbraw/zinc/03/58/61/946035861.db2.gz YSTQZQXEJWGPER-KBPBESRZSA-N -1 1 388.451 1.836 20 0 GDADMM O=C([C@H]1CCC[C@H](F)C1)N1CCC(CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001571290253 946035877 /nfs/dbraw/zinc/03/58/77/946035877.db2.gz YSTQZQXEJWGPER-KBPBESRZSA-N -1 1 388.451 1.836 20 0 GDADMM CN(C[C@@H]1CCCN1C(=O)c1ccc(Cl)o1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571290727 946053175 /nfs/dbraw/zinc/05/31/75/946053175.db2.gz NILXVHKUUKFHCB-JTQLQIEISA-N -1 1 388.819 1.644 20 0 GDADMM Cc1nsc(N2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3CCOC3)C2)c1-c1nn[n-]n1 ZINC001571294092 946125781 /nfs/dbraw/zinc/12/57/81/946125781.db2.gz AFLBGGLCBPNWOZ-PRXAMGSTSA-N -1 1 389.485 1.143 20 0 GDADMM O=S(=O)(NCc1cccc(C(F)(F)F)n1)c1ccc(-c2nnn[n-]2)s1 ZINC001571294445 946133559 /nfs/dbraw/zinc/13/35/59/946133559.db2.gz GQOUFLOXBZPEQY-UHFFFAOYSA-N -1 1 390.372 1.821 20 0 GDADMM O=S(=O)(NCc1cccc(C(F)(F)F)n1)c1ccc(-c2nn[n-]n2)s1 ZINC001571294445 946133565 /nfs/dbraw/zinc/13/35/65/946133565.db2.gz GQOUFLOXBZPEQY-UHFFFAOYSA-N -1 1 390.372 1.821 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1 ZINC000822609436 946137475 /nfs/dbraw/zinc/13/74/75/946137475.db2.gz NZJUIXOYFCTZEV-SNVBAGLBSA-N -1 1 391.436 1.121 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1 ZINC000822609436 946137485 /nfs/dbraw/zinc/13/74/85/946137485.db2.gz NZJUIXOYFCTZEV-SNVBAGLBSA-N -1 1 391.436 1.121 20 0 GDADMM O=C([C@H]1CC1(F)F)N1CCC2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001571294760 946142380 /nfs/dbraw/zinc/14/23/80/946142380.db2.gz MAKKMCOLMIWFIT-LLVKDONJSA-N -1 1 390.398 1.131 20 0 GDADMM O=C([C@H]1CC1(F)F)N1CCC2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001571294760 946142384 /nfs/dbraw/zinc/14/23/84/946142384.db2.gz MAKKMCOLMIWFIT-LLVKDONJSA-N -1 1 390.398 1.131 20 0 GDADMM O=C(c1coc(C(F)F)c1)N1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571294871 946147172 /nfs/dbraw/zinc/14/71/72/946147172.db2.gz OLSHKTMZHZNCAL-JTQLQIEISA-N -1 1 390.354 1.904 20 0 GDADMM O=C(c1coc(C(F)F)c1)N1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571294871 946147182 /nfs/dbraw/zinc/14/71/82/946147182.db2.gz OLSHKTMZHZNCAL-JTQLQIEISA-N -1 1 390.354 1.904 20 0 GDADMM Nc1ncccc1CNC(=O)Nc1ccc(Br)c(-c2nnn[n-]2)n1 ZINC001571295303 946159344 /nfs/dbraw/zinc/15/93/44/946159344.db2.gz XFOWWFXSPKEYSC-UHFFFAOYSA-N -1 1 390.205 1.323 20 0 GDADMM Nc1ncccc1CNC(=O)Nc1ccc(Br)c(-c2nn[n-]n2)n1 ZINC001571295303 946159351 /nfs/dbraw/zinc/15/93/51/946159351.db2.gz XFOWWFXSPKEYSC-UHFFFAOYSA-N -1 1 390.205 1.323 20 0 GDADMM O=C(N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1c(F)cc(F)cc1F ZINC001571295354 946162344 /nfs/dbraw/zinc/16/23/44/946162344.db2.gz YRLLTWRNGOLURC-VIFPVBQESA-N -1 1 390.329 1.083 20 0 GDADMM O=C(N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1c(F)cc(F)cc1F ZINC001571295354 946162348 /nfs/dbraw/zinc/16/23/48/946162348.db2.gz YRLLTWRNGOLURC-VIFPVBQESA-N -1 1 390.329 1.083 20 0 GDADMM Cc1nsc(NCC[C@@H]2CCN(C(=O)[C@]34C[C@H]3COC4)C2)c1-c1nn[n-]n1 ZINC001571295534 946165777 /nfs/dbraw/zinc/16/57/77/946165777.db2.gz WUTSQFSKOVHYFL-PEBVRCNWSA-N -1 1 389.485 1.319 20 0 GDADMM COc1cc(C(=O)N2CC[C@@H](Nc3snc(C)c3-c3nn[n-]n3)[C@@H]2C)on1 ZINC001571295889 946176029 /nfs/dbraw/zinc/17/60/29/946176029.db2.gz IOWKPOIRUCTOKI-DTWKUNHWSA-N -1 1 390.429 1.343 20 0 GDADMM O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nnn[n-]3)n1)C2)C1C=CC=CC=C1 ZINC001571298297 946212519 /nfs/dbraw/zinc/21/25/19/946212519.db2.gz MUVYXFGTTANLGK-BPUTZDHNSA-N -1 1 390.451 1.429 20 0 GDADMM O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nn[n-]n3)n1)C2)C1C=CC=CC=C1 ZINC001571298297 946212528 /nfs/dbraw/zinc/21/25/28/946212528.db2.gz MUVYXFGTTANLGK-BPUTZDHNSA-N -1 1 390.451 1.429 20 0 GDADMM O=C(c1cccc2c1CCC2)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571298412 946217339 /nfs/dbraw/zinc/21/73/39/946217339.db2.gz NGKOHANMJGMOMF-UHFFFAOYSA-N -1 1 390.451 1.498 20 0 GDADMM O=C(NCC1CC(Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1)c1cccnc1 ZINC001571299041 946238215 /nfs/dbraw/zinc/23/82/15/946238215.db2.gz HVNZZJNSIJWQPY-UHFFFAOYSA-N -1 1 390.860 1.992 20 0 GDADMM O=C(Cc1cccc(C2CC2)c1)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571299176 946241080 /nfs/dbraw/zinc/24/10/80/946241080.db2.gz USDFJTPSSMIFIY-UHFFFAOYSA-N -1 1 390.451 1.425 20 0 GDADMM CC(=O)N[C@H](CC(=O)Nc1n[nH]cc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC001573487299 946248583 /nfs/dbraw/zinc/24/85/83/946248583.db2.gz MESRDDSCDQEJOQ-GFCCVEGCSA-N -1 1 376.327 1.074 20 0 GDADMM CC(=O)N[C@H](CC(=O)Nc1n[nH]cc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC001573487299 946248595 /nfs/dbraw/zinc/24/85/95/946248595.db2.gz MESRDDSCDQEJOQ-GFCCVEGCSA-N -1 1 376.327 1.074 20 0 GDADMM CN(C(=O)c1ccc(C2CC2)cc1)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571299499 946251304 /nfs/dbraw/zinc/25/13/04/946251304.db2.gz SQNNNKQAKYBXMP-INIZCTEOSA-N -1 1 390.451 1.885 20 0 GDADMM O=C(c1ccncc1)N1CC[C@@]2(C1)CCCN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001571302828 946316049 /nfs/dbraw/zinc/31/60/49/946316049.db2.gz GWOGBTWNPMNUTP-IBGZPJMESA-N -1 1 391.439 1.184 20 0 GDADMM O=C(c1ccncc1)N1CC[C@@]2(C1)CCCN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001571302828 946316064 /nfs/dbraw/zinc/31/60/64/946316064.db2.gz GWOGBTWNPMNUTP-IBGZPJMESA-N -1 1 391.439 1.184 20 0 GDADMM CCc1cccnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1 ZINC001571302930 946318007 /nfs/dbraw/zinc/31/80/07/946318007.db2.gz DRMBWUKWIHMMCB-MCIONIFRSA-N -1 1 391.439 1.154 20 0 GDADMM CCc1cccnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1 ZINC001571302930 946318020 /nfs/dbraw/zinc/31/80/20/946318020.db2.gz DRMBWUKWIHMMCB-MCIONIFRSA-N -1 1 391.439 1.154 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCC1(c2c(F)cccc2F)CCCC1 ZINC000823126329 946324107 /nfs/dbraw/zinc/32/41/07/946324107.db2.gz IBVTVKHKQDCEAM-UHFFFAOYSA-N -1 1 388.382 1.365 20 0 GDADMM CO[C@@H](C)C(=O)N1CCC[C@@]2(CCN(c3snc(C)c3-c3nn[n-]n3)C2)C1 ZINC001571305437 946362727 /nfs/dbraw/zinc/36/27/27/946362727.db2.gz BCOMQDIPAOYIKV-YVEFUNNKSA-N -1 1 391.501 1.485 20 0 GDADMM C[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)CN1C(=O)c1csc(Cl)n1 ZINC001571305580 946366355 /nfs/dbraw/zinc/36/63/55/946366355.db2.gz GDEPXSVPKAJHCS-YUMQZZPRSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)CN1C(=O)c1csc(Cl)n1 ZINC001571305580 946366368 /nfs/dbraw/zinc/36/63/68/946366368.db2.gz GDEPXSVPKAJHCS-YUMQZZPRSA-N -1 1 391.848 1.482 20 0 GDADMM COC1CC(C(=O)N[C@H]2CN(c3snc(C)c3-c3nn[n-]n3)CC2(C)C)C1 ZINC001571305554 946368246 /nfs/dbraw/zinc/36/82/46/946368246.db2.gz FCUPYTMNMCLBTN-MCIGGMRASA-N -1 1 391.501 1.388 20 0 GDADMM Cc1cc(C(=O)N2CCN(c3nc(Cl)c(-c4nnn[n-]4)s3)CC2)ncn1 ZINC001571305626 946369527 /nfs/dbraw/zinc/36/95/27/946369527.db2.gz HVJMVYWNHIVZOD-UHFFFAOYSA-N -1 1 391.848 1.037 20 0 GDADMM Cc1cc(C(=O)N2CCN(c3nc(Cl)c(-c4nn[n-]n4)s3)CC2)ncn1 ZINC001571305626 946369532 /nfs/dbraw/zinc/36/95/32/946369532.db2.gz HVJMVYWNHIVZOD-UHFFFAOYSA-N -1 1 391.848 1.037 20 0 GDADMM O=C(NC1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)CC1)c1ccncn1 ZINC001571305625 946369869 /nfs/dbraw/zinc/36/98/69/946369869.db2.gz HVFQYUSUMINORF-UHFFFAOYSA-N -1 1 391.848 1.165 20 0 GDADMM O=C(NC1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)CC1)c1ccncn1 ZINC001571305625 946369880 /nfs/dbraw/zinc/36/98/80/946369880.db2.gz HVFQYUSUMINORF-UHFFFAOYSA-N -1 1 391.848 1.165 20 0 GDADMM CCO[C@@H]1CN(C(=O)C2(C)CC2)C[C@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001571305667 946370229 /nfs/dbraw/zinc/37/02/29/946370229.db2.gz IXNFFMZJUUQZOM-VXGBXAGGSA-N -1 1 391.501 1.707 20 0 GDADMM Cc1sc(Cl)nc1C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571305699 946372741 /nfs/dbraw/zinc/37/27/41/946372741.db2.gz KEZPYDOCAIUWBE-MRVPVSSYSA-N -1 1 391.848 1.402 20 0 GDADMM Cc1sc(Cl)nc1C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571305699 946372753 /nfs/dbraw/zinc/37/27/53/946372753.db2.gz KEZPYDOCAIUWBE-MRVPVSSYSA-N -1 1 391.848 1.402 20 0 GDADMM Cc1nc(Cl)sc1C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571306240 946394912 /nfs/dbraw/zinc/39/49/12/946394912.db2.gz RAJDPCZLXAEXGG-MRVPVSSYSA-N -1 1 391.848 1.084 20 0 GDADMM Cc1nc(Cl)sc1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571306240 946394918 /nfs/dbraw/zinc/39/49/18/946394918.db2.gz RAJDPCZLXAEXGG-MRVPVSSYSA-N -1 1 391.848 1.084 20 0 GDADMM Cc1nsc(NC[C@H]2CCCN2C(=O)CC2CCOCC2)c1-c1nn[n-]n1 ZINC001571306357 946396111 /nfs/dbraw/zinc/39/61/11/946396111.db2.gz UCDMZWCKZKXBKU-CYBMUJFWSA-N -1 1 391.501 1.851 20 0 GDADMM Cc1nsc(N[C@@H]2CN(C(=O)C[C@H]3CCOC3)CC2(C)C)c1-c1nn[n-]n1 ZINC001571306612 946404137 /nfs/dbraw/zinc/40/41/37/946404137.db2.gz YQAAEVLQDYAEHN-VXGBXAGGSA-N -1 1 391.501 1.707 20 0 GDADMM Cc1nsc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCC[C@H](F)C2)c1-c1nn[n-]n1 ZINC001571306999 946414599 /nfs/dbraw/zinc/41/45/99/946414599.db2.gz STHKRRCBMSMZMK-MOWSAHLDSA-N -1 1 391.476 1.711 20 0 GDADMM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cscc1C(F)F ZINC001571307839 946427864 /nfs/dbraw/zinc/42/78/64/946427864.db2.gz HONZHTRKMBTDOU-QMMMGPOBSA-N -1 1 392.395 1.665 20 0 GDADMM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cscc1C(F)F ZINC001571307839 946427869 /nfs/dbraw/zinc/42/78/69/946427869.db2.gz HONZHTRKMBTDOU-QMMMGPOBSA-N -1 1 392.395 1.665 20 0 GDADMM O=C([C@H]1CCCCC1(F)F)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571308025 946429016 /nfs/dbraw/zinc/42/90/16/946429016.db2.gz KBJADSXCOBDVPN-NWDGAFQWSA-N -1 1 392.414 1.885 20 0 GDADMM O=C([C@H]1CCCCC1(F)F)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571308025 946429023 /nfs/dbraw/zinc/42/90/23/946429023.db2.gz KBJADSXCOBDVPN-NWDGAFQWSA-N -1 1 392.414 1.885 20 0 GDADMM CC1(C(=O)N2CCC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)CC(F)(F)C1 ZINC001571308106 946430343 /nfs/dbraw/zinc/43/03/43/946430343.db2.gz MXMRKIHBRNMSMT-LLVKDONJSA-N -1 1 392.414 1.165 20 0 GDADMM C[C@@H]1CN(C(=O)C[C@@H]2CCC(F)(F)C2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571308331 946431004 /nfs/dbraw/zinc/43/10/04/946431004.db2.gz OUEGXGPACOAOIS-NTZNESFSSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H]1CN(C(=O)C[C@@H]2CCC(F)(F)C2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571308331 946431015 /nfs/dbraw/zinc/43/10/15/946431015.db2.gz OUEGXGPACOAOIS-NTZNESFSSA-N -1 1 392.414 1.741 20 0 GDADMM O=C([C@H]1CCCC(F)(F)C1)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571308313 946431722 /nfs/dbraw/zinc/43/17/22/946431722.db2.gz OJFWMQBMNILYQB-RYUDHWBXSA-N -1 1 392.414 1.307 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)C2(C)CC(F)(F)C2)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571308368 946431857 /nfs/dbraw/zinc/43/18/57/946431857.db2.gz PDWVCTNZGKMBDZ-WDEREUQCSA-N -1 1 392.414 1.566 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@]2(C)CCN(C(=O)[C@@H]3CCC3(F)F)C2)n1 ZINC001571308552 946432881 /nfs/dbraw/zinc/43/28/81/946432881.db2.gz QRYNRDJVIZTZKX-ZBEGNZNMSA-N -1 1 392.414 1.661 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@]2(C)CCN(C(=O)[C@@H]3CCC3(F)F)C2)n1 ZINC001571308552 946432887 /nfs/dbraw/zinc/43/28/87/946432887.db2.gz QRYNRDJVIZTZKX-ZBEGNZNMSA-N -1 1 392.414 1.661 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCC[C@H]2NC(=O)C2CC(F)(F)C2)n1 ZINC001571308879 946437487 /nfs/dbraw/zinc/43/74/87/946437487.db2.gz UIBTZIZLKGTJRB-CMPLNLGQSA-N -1 1 392.414 1.707 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCC[C@H]2NC(=O)C2CC(F)(F)C2)n1 ZINC001571308879 946437498 /nfs/dbraw/zinc/43/74/98/946437498.db2.gz UIBTZIZLKGTJRB-CMPLNLGQSA-N -1 1 392.414 1.707 20 0 GDADMM O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(c1ncccc1-c1nn[nH]n1)C2)c1ncccc1[O-] ZINC001571309442 946445168 /nfs/dbraw/zinc/44/51/68/946445168.db2.gz AAKAFHVIPIXBLB-AVGNSLFASA-N -1 1 392.423 1.150 20 0 GDADMM O=C(NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)[C@H]1CCCCC1(F)F ZINC001571309518 946447168 /nfs/dbraw/zinc/44/71/68/946447168.db2.gz CIKJBPDUNVBLKE-NWDGAFQWSA-N -1 1 392.414 1.567 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccc2c(c1)CCO2 ZINC001571309625 946449244 /nfs/dbraw/zinc/44/92/44/946449244.db2.gz FVKZWIKCWGYUNM-RISCZKNCSA-N -1 1 392.423 1.307 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccc2c(c1)CCO2 ZINC001571309625 946449248 /nfs/dbraw/zinc/44/92/48/946449248.db2.gz FVKZWIKCWGYUNM-RISCZKNCSA-N -1 1 392.423 1.307 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCO[C@H](c2ccco2)C1 ZINC000823606897 946453967 /nfs/dbraw/zinc/45/39/67/946453967.db2.gz OVLCADXBTUNLIG-LBPRGKRZSA-N -1 1 379.373 1.361 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCO[C@H](c2ccco2)C1 ZINC000823606897 946453972 /nfs/dbraw/zinc/45/39/72/946453972.db2.gz OVLCADXBTUNLIG-LBPRGKRZSA-N -1 1 379.373 1.361 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)[C@H]1CCCCC1(F)F ZINC001571309850 946456121 /nfs/dbraw/zinc/45/61/21/946456121.db2.gz MSDZGKQYDUNOBH-VXGBXAGGSA-N -1 1 392.414 1.567 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)[C@H]1CCCCC1(F)F ZINC001571309850 946456126 /nfs/dbraw/zinc/45/61/26/946456126.db2.gz MSDZGKQYDUNOBH-VXGBXAGGSA-N -1 1 392.414 1.567 20 0 GDADMM O=C(C[C@@H]1Cc2ccccc2O1)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571310086 946461004 /nfs/dbraw/zinc/46/10/04/946461004.db2.gz UVMBVCDZQDVZAS-MJBXVCDLSA-N -1 1 392.423 1.110 20 0 GDADMM O=C(C[C@@H]1Cc2ccccc2O1)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571310086 946461009 /nfs/dbraw/zinc/46/10/09/946461009.db2.gz UVMBVCDZQDVZAS-MJBXVCDLSA-N -1 1 392.423 1.110 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)[C@@H]1CCC(F)(F)C1 ZINC001571310077 946462085 /nfs/dbraw/zinc/46/20/85/946462085.db2.gz UPQOYJSOSCWNEL-NEPJUHHUSA-N -1 1 392.414 1.567 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)[C@@H]1CCC(F)(F)C1 ZINC001571310077 946462088 /nfs/dbraw/zinc/46/20/88/946462088.db2.gz UPQOYJSOSCWNEL-NEPJUHHUSA-N -1 1 392.414 1.567 20 0 GDADMM O=C(NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)[C@H]1CCCC(F)(F)C1 ZINC001571310176 946463487 /nfs/dbraw/zinc/46/34/87/946463487.db2.gz XRGOAEGENGCTEP-RYUDHWBXSA-N -1 1 392.414 1.567 20 0 GDADMM CC(C)Cc1ccc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)cc1 ZINC001571310440 946471364 /nfs/dbraw/zinc/47/13/64/946471364.db2.gz GFJCFXVRAXMTAY-UHFFFAOYSA-N -1 1 392.467 1.818 20 0 GDADMM CC(C)Cc1ccc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)cc1 ZINC001571310440 946471373 /nfs/dbraw/zinc/47/13/73/946471373.db2.gz GFJCFXVRAXMTAY-UHFFFAOYSA-N -1 1 392.467 1.818 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](N(CC)C(=O)c3ccccc3)C2)n1 ZINC001571313314 946518094 /nfs/dbraw/zinc/51/80/94/946518094.db2.gz MHUUTJOQRCLXNP-HNNXBMFYSA-N -1 1 392.467 1.960 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](N(CC)C(=O)c3ccccc3)C2)n1 ZINC001571313314 946518104 /nfs/dbraw/zinc/51/81/04/946518104.db2.gz MHUUTJOQRCLXNP-HNNXBMFYSA-N -1 1 392.467 1.960 20 0 GDADMM CCc1cccc(CC(=O)N2CC[C@H](CNc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571313373 946521062 /nfs/dbraw/zinc/52/10/62/946521062.db2.gz NQJJXAWEVJAPDO-MRXNPFEDSA-N -1 1 392.467 1.722 20 0 GDADMM CCc1cccc(CC(=O)N2CC[C@H](CNc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571313373 946521070 /nfs/dbraw/zinc/52/10/70/946521070.db2.gz NQJJXAWEVJAPDO-MRXNPFEDSA-N -1 1 392.467 1.722 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H](NC(=O)c3ccccc3C)C2)n1 ZINC001571313484 946522446 /nfs/dbraw/zinc/52/24/46/946522446.db2.gz PZKBFTBWYYETRX-CQSZACIVSA-N -1 1 392.467 1.926 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H](NC(=O)c3ccccc3C)C2)n1 ZINC001571313484 946522455 /nfs/dbraw/zinc/52/24/55/946522455.db2.gz PZKBFTBWYYETRX-CQSZACIVSA-N -1 1 392.467 1.926 20 0 GDADMM CC(=O)N1CC[C@H](NC(=O)Cc2noc(C)c2-c2nnn[n-]2)c2ccccc21 ZINC000823972444 946529658 /nfs/dbraw/zinc/52/96/58/946529658.db2.gz BDZBTBHZVOULCZ-ZDUSSCGKSA-N -1 1 381.396 1.320 20 0 GDADMM CC(=O)N1CC[C@H](NC(=O)Cc2noc(C)c2-c2nn[n-]n2)c2ccccc21 ZINC000823972444 946529675 /nfs/dbraw/zinc/52/96/75/946529675.db2.gz BDZBTBHZVOULCZ-ZDUSSCGKSA-N -1 1 381.396 1.320 20 0 GDADMM Cc1ccc(C)c(C(=O)N[C@@H]2CC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571314905 946545306 /nfs/dbraw/zinc/54/53/06/946545306.db2.gz DDAXUVPWVMEFDP-LSDHHAIUSA-N -1 1 392.467 1.706 20 0 GDADMM Cc1cc(C)cc(CC(=O)N2C[C@@H](C)[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571316084 946566504 /nfs/dbraw/zinc/56/65/04/946566504.db2.gz TWJGRVKGWPUKIF-RHSMWYFYSA-N -1 1 392.467 1.775 20 0 GDADMM Cc1cc(C)cc(CC(=O)N2C[C@@H](C)[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571316084 946566510 /nfs/dbraw/zinc/56/65/10/946566510.db2.gz TWJGRVKGWPUKIF-RHSMWYFYSA-N -1 1 392.467 1.775 20 0 GDADMM O=C(C1=CCCC1)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1c1nccnc1-c1nnn[n-]1 ZINC001571316590 946581525 /nfs/dbraw/zinc/58/15/25/946581525.db2.gz HJCOBLJEAVOMIO-FZKCQIBNSA-N -1 1 392.467 1.440 20 0 GDADMM O=C(C1=CCCC1)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1c1nccnc1-c1nn[n-]n1 ZINC001571316590 946581534 /nfs/dbraw/zinc/58/15/34/946581534.db2.gz HJCOBLJEAVOMIO-FZKCQIBNSA-N -1 1 392.467 1.440 20 0 GDADMM O=C(Cc1ccccc1)N[C@H]1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571316568 946581803 /nfs/dbraw/zinc/58/18/03/946581803.db2.gz GULZPJUJCMDOJH-CVEARBPZSA-N -1 1 392.467 1.986 20 0 GDADMM O=C(Cc1ccccc1)N[C@H]1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571316568 946581812 /nfs/dbraw/zinc/58/18/12/946581812.db2.gz GULZPJUJCMDOJH-CVEARBPZSA-N -1 1 392.467 1.986 20 0 GDADMM Cc1cc[nH]c1C(=O)NC[C@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571317645 946615283 /nfs/dbraw/zinc/61/52/83/946615283.db2.gz PIMZLYBFAPEZKI-SECBINFHSA-N -1 1 392.876 1.869 20 0 GDADMM Cc1cc[nH]c1C(=O)NC[C@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571317645 946615295 /nfs/dbraw/zinc/61/52/95/946615295.db2.gz PIMZLYBFAPEZKI-SECBINFHSA-N -1 1 392.876 1.869 20 0 GDADMM CC(=O)Nc1cc(C(=O)N2CCCc3nc(-c4nnn[n-]4)ccc32)ccc1F ZINC001573543282 946807295 /nfs/dbraw/zinc/80/72/95/946807295.db2.gz VBESTBYYDIMIIY-UHFFFAOYSA-N -1 1 381.371 1.952 20 0 GDADMM CC(=O)Nc1cc(C(=O)N2CCCc3nc(-c4nn[n-]n4)ccc32)ccc1F ZINC001573543282 946807301 /nfs/dbraw/zinc/80/73/01/946807301.db2.gz VBESTBYYDIMIIY-UHFFFAOYSA-N -1 1 381.371 1.952 20 0 GDADMM CC(=O)c1cncc(C(=O)Nc2ccc(Br)c(-c3nnn[n-]3)n2)c1 ZINC001573557994 946936151 /nfs/dbraw/zinc/93/61/51/946936151.db2.gz FBDMVUWONIKNPZ-UHFFFAOYSA-N -1 1 388.185 1.874 20 0 GDADMM CC(=O)c1cncc(C(=O)Nc2ccc(Br)c(-c3nn[n-]n3)n2)c1 ZINC001573557994 946936159 /nfs/dbraw/zinc/93/61/59/946936159.db2.gz FBDMVUWONIKNPZ-UHFFFAOYSA-N -1 1 388.185 1.874 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1nc2c(s1)CCCC2 ZINC000825000425 947035722 /nfs/dbraw/zinc/03/57/22/947035722.db2.gz QEYSNZDSMLRMMF-LBPRGKRZSA-N -1 1 397.512 1.703 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1nc2c(s1)CCCC2 ZINC000825000425 947035736 /nfs/dbraw/zinc/03/57/36/947035736.db2.gz QEYSNZDSMLRMMF-LBPRGKRZSA-N -1 1 397.512 1.703 20 0 GDADMM CC[C@](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)(C(=O)OC)c1ccccc1 ZINC000825133809 947091857 /nfs/dbraw/zinc/09/18/57/947091857.db2.gz QFAUBRSMNAUHBJ-GOSISDBHSA-N -1 1 384.396 1.300 20 0 GDADMM CC[C@](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)(C(=O)OC)c1ccccc1 ZINC000825133809 947091867 /nfs/dbraw/zinc/09/18/67/947091867.db2.gz QFAUBRSMNAUHBJ-GOSISDBHSA-N -1 1 384.396 1.300 20 0 GDADMM CCCN(CC(=O)Nc1ccccc1C)C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825307496 947147983 /nfs/dbraw/zinc/14/79/83/947147983.db2.gz BNPOICQZJGKIED-UHFFFAOYSA-N -1 1 397.439 1.891 20 0 GDADMM CCCN(CC(=O)Nc1ccccc1C)C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825307496 947147993 /nfs/dbraw/zinc/14/79/93/947147993.db2.gz BNPOICQZJGKIED-UHFFFAOYSA-N -1 1 397.439 1.891 20 0 GDADMM CCCOc1ccc(CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)cc1OC ZINC000825339307 947158946 /nfs/dbraw/zinc/15/89/46/947158946.db2.gz WASPNEMYNAVKGJ-UHFFFAOYSA-N -1 1 386.412 1.819 20 0 GDADMM CCCOc1ccc(CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)cc1OC ZINC000825339307 947158949 /nfs/dbraw/zinc/15/89/49/947158949.db2.gz WASPNEMYNAVKGJ-UHFFFAOYSA-N -1 1 386.412 1.819 20 0 GDADMM CCN(Cc1ccc(OC)c(OC)c1)C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825434641 947188975 /nfs/dbraw/zinc/18/89/75/947188975.db2.gz CMXJAQBCUVYWEI-UHFFFAOYSA-N -1 1 386.412 1.772 20 0 GDADMM CCN(Cc1ccc(OC)c(OC)c1)C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825434641 947188984 /nfs/dbraw/zinc/18/89/84/947188984.db2.gz CMXJAQBCUVYWEI-UHFFFAOYSA-N -1 1 386.412 1.772 20 0 GDADMM C=C/C(C)=C/CC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001573315124 947242006 /nfs/dbraw/zinc/24/20/06/947242006.db2.gz ASJREDLTXOIOSS-XWWZYGQCSA-N -1 1 380.456 1.749 20 0 GDADMM C=C/C(C)=C/CC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001573315124 947242019 /nfs/dbraw/zinc/24/20/19/947242019.db2.gz ASJREDLTXOIOSS-XWWZYGQCSA-N -1 1 380.456 1.749 20 0 GDADMM C=C/C(C)=C/CC(=O)N1CC[C@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001573318841 947316664 /nfs/dbraw/zinc/31/66/64/947316664.db2.gz SDQVUFUZQWPNSO-DKQDWMEJSA-N -1 1 380.456 1.608 20 0 GDADMM C=C/C(C)=C/CC(=O)N1CC[C@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001573318841 947316677 /nfs/dbraw/zinc/31/66/77/947316677.db2.gz SDQVUFUZQWPNSO-DKQDWMEJSA-N -1 1 380.456 1.608 20 0 GDADMM CCn1c2ccccc2nc1[C@@H](C)NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825782739 947327438 /nfs/dbraw/zinc/32/74/38/947327438.db2.gz NKGOSLDDLKATLY-SNVBAGLBSA-N -1 1 380.412 1.953 20 0 GDADMM CCn1c2ccccc2nc1[C@@H](C)NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825782739 947327451 /nfs/dbraw/zinc/32/74/51/947327451.db2.gz NKGOSLDDLKATLY-SNVBAGLBSA-N -1 1 380.412 1.953 20 0 GDADMM C=C/C(C)=C\CC(=O)N[C@]12CCC[C@@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001573319290 947327661 /nfs/dbraw/zinc/32/76/61/947327661.db2.gz VKLCHRZTSHETPZ-XUSFKZFASA-N -1 1 380.456 1.797 20 0 GDADMM C=C/C(C)=C\CC(=O)N[C@]12CCC[C@@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001573319290 947327675 /nfs/dbraw/zinc/32/76/75/947327675.db2.gz VKLCHRZTSHETPZ-XUSFKZFASA-N -1 1 380.456 1.797 20 0 GDADMM C[C@H](C(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1)[C@@H]1CCCO1 ZINC001573592047 947327823 /nfs/dbraw/zinc/32/78/23/947327823.db2.gz IHDZOVLIEJLXEG-FZMZJTMJSA-N -1 1 376.486 1.386 20 0 GDADMM C[C@H](C(=O)N(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)c1ccco1 ZINC001573593601 947372727 /nfs/dbraw/zinc/37/27/27/947372727.db2.gz KXPIBFYTOUNXQY-SMDDNHRTSA-N -1 1 382.428 1.702 20 0 GDADMM C[C@H](C(=O)N(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)c1ccco1 ZINC001573593601 947372741 /nfs/dbraw/zinc/37/27/41/947372741.db2.gz KXPIBFYTOUNXQY-SMDDNHRTSA-N -1 1 382.428 1.702 20 0 GDADMM CNC(=O)c1ccc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)cc1Cl ZINC000826067503 947421963 /nfs/dbraw/zinc/42/19/63/947421963.db2.gz HFQACDGDIFAXHF-UHFFFAOYSA-N -1 1 375.776 1.357 20 0 GDADMM CNC(=O)c1ccc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)cc1Cl ZINC000826067503 947421970 /nfs/dbraw/zinc/42/19/70/947421970.db2.gz HFQACDGDIFAXHF-UHFFFAOYSA-N -1 1 375.776 1.357 20 0 GDADMM C[C@@H](C(=O)N(C)CCCN(C)c1nccnc1-c1nnn[n-]1)c1cccnc1 ZINC001573595544 947422553 /nfs/dbraw/zinc/42/25/53/947422553.db2.gz GNGAQLSOVMMVRV-CYBMUJFWSA-N -1 1 381.444 1.140 20 0 GDADMM C[C@@H](C(=O)N(C)CCCN(C)c1nccnc1-c1nn[n-]n1)c1cccnc1 ZINC001573595544 947422559 /nfs/dbraw/zinc/42/25/59/947422559.db2.gz GNGAQLSOVMMVRV-CYBMUJFWSA-N -1 1 381.444 1.140 20 0 GDADMM COC(=O)[C@@H]1CCCCCC[C@H]1NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000826133107 947446039 /nfs/dbraw/zinc/44/60/39/947446039.db2.gz JWHZHQKCDDWMHX-VXGBXAGGSA-N -1 1 376.417 1.334 20 0 GDADMM COC(=O)[C@@H]1CCCCCC[C@H]1NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000826133107 947446045 /nfs/dbraw/zinc/44/60/45/947446045.db2.gz JWHZHQKCDDWMHX-VXGBXAGGSA-N -1 1 376.417 1.334 20 0 GDADMM CC(C(=O)N(C)C[C@H](O)CNc1snc(C)c1-c1nn[n-]n1)=C1CCC1 ZINC001573599611 947457214 /nfs/dbraw/zinc/45/72/14/947457214.db2.gz YSLHVBUOHJDGON-GFCCVEGCSA-N -1 1 377.474 1.363 20 0 GDADMM COc1cc(CC2CN(C(=O)Cc3noc(C)c3-c3nnn[n-]3)C2)cc(OC)c1 ZINC000826178925 947553272 /nfs/dbraw/zinc/55/32/72/947553272.db2.gz RDUDBRKZMAXHCC-UHFFFAOYSA-N -1 1 398.423 1.424 20 0 GDADMM COc1cc(CC2CN(C(=O)Cc3noc(C)c3-c3nn[n-]n3)C2)cc(OC)c1 ZINC000826178925 947553282 /nfs/dbraw/zinc/55/32/82/947553282.db2.gz RDUDBRKZMAXHCC-UHFFFAOYSA-N -1 1 398.423 1.424 20 0 GDADMM C[C@@H](C(=O)N(Cc1cccs1)Cc1ccncc1)n1cnc(-c2nn[n-]n2)n1 ZINC001573608027 947554443 /nfs/dbraw/zinc/55/44/43/947554443.db2.gz UNELDCBXBLEQGI-LBPRGKRZSA-N -1 1 395.452 1.705 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1)C(C)(F)F ZINC001573613984 947575518 /nfs/dbraw/zinc/57/55/18/947575518.db2.gz JZWNIPUJCVCNQZ-UTUOFQBUSA-N -1 1 392.414 1.518 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001573613984 947575528 /nfs/dbraw/zinc/57/55/28/947575528.db2.gz JZWNIPUJCVCNQZ-UTUOFQBUSA-N -1 1 392.414 1.518 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CN(C)c2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001573614768 947589688 /nfs/dbraw/zinc/58/96/88/947589688.db2.gz GXGHMXDWMBPOMY-ZJUUUORDSA-N -1 1 384.366 1.140 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CN(C)c2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001573614768 947589699 /nfs/dbraw/zinc/58/96/99/947589699.db2.gz GXGHMXDWMBPOMY-ZJUUUORDSA-N -1 1 384.366 1.140 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001573615489 947604021 /nfs/dbraw/zinc/60/40/21/947604021.db2.gz RRFKQSCGFUBSOQ-LPEHRKFASA-N -1 1 382.350 1.035 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001573615489 947604026 /nfs/dbraw/zinc/60/40/26/947604026.db2.gz RRFKQSCGFUBSOQ-LPEHRKFASA-N -1 1 382.350 1.035 20 0 GDADMM C[C@H](C(=O)N1CCC(C)(Nc2ccc(-c3nnn[n-]3)nn2)CC1)[C@@H]1CCCO1 ZINC001573615728 947610813 /nfs/dbraw/zinc/61/08/13/947610813.db2.gz KBVHDBFXTJFINC-JSGCOSHPSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H](C(=O)N1CCC(C)(Nc2ccc(-c3nn[n-]n3)nn2)CC1)[C@@H]1CCCO1 ZINC001573615728 947610819 /nfs/dbraw/zinc/61/08/19/947610819.db2.gz KBVHDBFXTJFINC-JSGCOSHPSA-N -1 1 386.460 1.265 20 0 GDADMM C=Cc1ccc(C(=O)N2C[C@H](C)[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001573351358 947612528 /nfs/dbraw/zinc/61/25/28/947612528.db2.gz LYCOFCARESECGN-BLLLJJGKSA-N -1 1 376.424 1.872 20 0 GDADMM C=Cc1ccc(C(=O)N2C[C@H](C)[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573351358 947612537 /nfs/dbraw/zinc/61/25/37/947612537.db2.gz LYCOFCARESECGN-BLLLJJGKSA-N -1 1 376.424 1.872 20 0 GDADMM C[C@@H](C(=O)N1CCC(C)(Nc2nccnc2-c2nnn[n-]2)CC1)n1cccc1 ZINC001573616134 947617067 /nfs/dbraw/zinc/61/70/67/947617067.db2.gz LQCVHASQGMMYRA-ZDUSSCGKSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@@H](C(=O)N1CCC(C)(Nc2nccnc2-c2nn[n-]n2)CC1)n1cccc1 ZINC001573616134 947617075 /nfs/dbraw/zinc/61/70/75/947617075.db2.gz LQCVHASQGMMYRA-ZDUSSCGKSA-N -1 1 381.444 1.512 20 0 GDADMM COc1cccc(C[C@H]2CCCN2C(=O)Cc2noc(C)c2-c2nnn[n-]2)c1 ZINC000826216012 947634667 /nfs/dbraw/zinc/63/46/67/947634667.db2.gz GRDDPNVYSJOJMU-CQSZACIVSA-N -1 1 382.424 1.948 20 0 GDADMM COc1cccc(C[C@H]2CCCN2C(=O)Cc2noc(C)c2-c2nn[n-]n2)c1 ZINC000826216012 947634673 /nfs/dbraw/zinc/63/46/73/947634673.db2.gz GRDDPNVYSJOJMU-CQSZACIVSA-N -1 1 382.424 1.948 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CCNc2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001573617504 947635850 /nfs/dbraw/zinc/63/58/50/947635850.db2.gz PJXFQJLMGDIDNX-UONOGXRCSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CCNc2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001573617504 947635860 /nfs/dbraw/zinc/63/58/60/947635860.db2.gz PJXFQJLMGDIDNX-UONOGXRCSA-N -1 1 381.444 1.370 20 0 GDADMM CS[C@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccccc1 ZINC000826224431 947662231 /nfs/dbraw/zinc/66/22/31/947662231.db2.gz DEDFLPHMMSJXTD-AWEZNQCLSA-N -1 1 386.485 1.667 20 0 GDADMM CS[C@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccccc1 ZINC000826224431 947662239 /nfs/dbraw/zinc/66/22/39/947662239.db2.gz DEDFLPHMMSJXTD-AWEZNQCLSA-N -1 1 386.485 1.667 20 0 GDADMM C=Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001573358651 947668353 /nfs/dbraw/zinc/66/83/53/947668353.db2.gz GNFGGUVRFVCENN-PMPSAXMXSA-N -1 1 388.435 1.839 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)[C@@H](CO)SC)c1-c1nn[n-]n1 ZINC000826231403 947676436 /nfs/dbraw/zinc/67/64/36/947676436.db2.gz JYAVNOFXIFABKH-QPUJVOFHSA-N -1 1 394.526 1.703 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cccc(F)c1 ZINC001573626553 947710297 /nfs/dbraw/zinc/71/02/97/947710297.db2.gz VHCMLDPOJPTBLZ-BXUZGUMPSA-N -1 1 382.403 1.034 20 0 GDADMM CC(=O)CCCC(=O)N(C)C1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573363270 947711324 /nfs/dbraw/zinc/71/13/24/947711324.db2.gz BKVHIFPJJFLJNH-UHFFFAOYSA-N -1 1 386.460 1.598 20 0 GDADMM CC(=O)CCCC(=O)N(C)C1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573363270 947711338 /nfs/dbraw/zinc/71/13/38/947711338.db2.gz BKVHIFPJJFLJNH-UHFFFAOYSA-N -1 1 386.460 1.598 20 0 GDADMM C[C@@H](C(=O)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1)c1ccsc1 ZINC001573626563 947712202 /nfs/dbraw/zinc/71/22/02/947712202.db2.gz VKSTZHCRRMAZSN-LLVKDONJSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@@H](C(=O)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1)c1ccsc1 ZINC001573626563 947712213 /nfs/dbraw/zinc/71/22/13/947712213.db2.gz VKSTZHCRRMAZSN-LLVKDONJSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1)C1CCC1 ZINC001573627770 947735497 /nfs/dbraw/zinc/73/54/97/947735497.db2.gz BZOBPZJXCOOIJW-CFVMTHIKSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1)C1CCC1 ZINC001573627770 947735505 /nfs/dbraw/zinc/73/55/05/947735505.db2.gz BZOBPZJXCOOIJW-CFVMTHIKSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](C(=O)N1CCC[C@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1)C1CC1 ZINC001573629022 947769962 /nfs/dbraw/zinc/76/99/62/947769962.db2.gz QDSLHBVAKTZLKS-ORAYPTAESA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H](C(=O)N1CCC[C@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1)C1CC1 ZINC001573629022 947769965 /nfs/dbraw/zinc/76/99/65/947769965.db2.gz QDSLHBVAKTZLKS-ORAYPTAESA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)C(C)(F)F ZINC001573629119 947773617 /nfs/dbraw/zinc/77/36/17/947773617.db2.gz MFYKRTWUKBHIIP-WDEREUQCSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573629119 947773621 /nfs/dbraw/zinc/77/36/21/947773621.db2.gz MFYKRTWUKBHIIP-WDEREUQCSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1)c1cccs1 ZINC001573629844 947785461 /nfs/dbraw/zinc/78/54/61/947785461.db2.gz WJVTXZCMQOGAFO-RYUDHWBXSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1)c1cccs1 ZINC001573629844 947785466 /nfs/dbraw/zinc/78/54/66/947785466.db2.gz WJVTXZCMQOGAFO-RYUDHWBXSA-N -1 1 384.469 1.925 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CC[C@@H](C)N(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573373806 947798813 /nfs/dbraw/zinc/79/88/13/947798813.db2.gz FZAPFRYPHRWJKX-OCCSQVGLSA-N -1 1 386.460 1.198 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CC[C@@H](C)N(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573373806 947798819 /nfs/dbraw/zinc/79/88/19/947798819.db2.gz FZAPFRYPHRWJKX-OCCSQVGLSA-N -1 1 386.460 1.198 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)C(C)(F)F ZINC001573631528 947801759 /nfs/dbraw/zinc/80/17/59/947801759.db2.gz VZFUFVMFOBSFAW-MNOVXSKESA-N -1 1 380.403 1.375 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573631528 947801763 /nfs/dbraw/zinc/80/17/63/947801763.db2.gz VZFUFVMFOBSFAW-MNOVXSKESA-N -1 1 380.403 1.375 20 0 GDADMM C[C@H](C(=O)N1CC[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1)C(C)(F)F ZINC001573632116 947809703 /nfs/dbraw/zinc/80/97/03/947809703.db2.gz ZCHZAHRIQFTXFU-PIGZYNQJSA-N -1 1 392.414 1.377 20 0 GDADMM C[C@H](C(=O)N1CC[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1)C(C)(F)F ZINC001573632116 947809717 /nfs/dbraw/zinc/80/97/17/947809717.db2.gz ZCHZAHRIQFTXFU-PIGZYNQJSA-N -1 1 392.414 1.377 20 0 GDADMM CC(C(=O)N1CCCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)=C1CCC1 ZINC001573638005 947831124 /nfs/dbraw/zinc/83/11/24/947831124.db2.gz YJSUGPYWRCRHBN-AWEZNQCLSA-N -1 1 384.444 1.187 20 0 GDADMM CC(C(=O)N1CCCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)=C1CCC1 ZINC001573638005 947831133 /nfs/dbraw/zinc/83/11/33/947831133.db2.gz YJSUGPYWRCRHBN-AWEZNQCLSA-N -1 1 384.444 1.187 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573376498 947838764 /nfs/dbraw/zinc/83/87/64/947838764.db2.gz ZYQQSEXDWFKKJR-AWEZNQCLSA-N -1 1 386.460 1.375 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573376498 947838773 /nfs/dbraw/zinc/83/87/73/947838773.db2.gz ZYQQSEXDWFKKJR-AWEZNQCLSA-N -1 1 386.460 1.375 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]2O[C@@H](c3ccccc3)C[C@H]21)n1cnc(-c2nn[n-]n2)n1 ZINC001573638541 947840202 /nfs/dbraw/zinc/84/02/02/947840202.db2.gz OMWRTZDTJGXZPU-LCGIIJARSA-N -1 1 394.439 1.540 20 0 GDADMM CC(=O)CCCC(=O)N[C@H](C)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573376945 947845750 /nfs/dbraw/zinc/84/57/50/947845750.db2.gz FXUURJUWTWPUGY-KGLIPLIRSA-N -1 1 386.460 1.137 20 0 GDADMM CC(=O)CCCC(=O)N[C@H](C)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573376945 947845754 /nfs/dbraw/zinc/84/57/54/947845754.db2.gz FXUURJUWTWPUGY-KGLIPLIRSA-N -1 1 386.460 1.137 20 0 GDADMM CC(=O)CCCC(=O)N1C[C@@H](C)[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573377378 947847965 /nfs/dbraw/zinc/84/79/65/947847965.db2.gz LRMHFCXQEZPAOO-TZMCWYRMSA-N -1 1 386.460 1.313 20 0 GDADMM CC(=O)CCCC(=O)N1C[C@@H](C)[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573377378 947847969 /nfs/dbraw/zinc/84/79/69/947847969.db2.gz LRMHFCXQEZPAOO-TZMCWYRMSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](C(=O)N1CCO[C@@H](c2cccc(F)c2)[C@@H]1C)n1cnc(-c2nn[n-]n2)n1 ZINC001573640369 947850139 /nfs/dbraw/zinc/85/01/39/947850139.db2.gz GVWKYNWCXWOZOY-MISXGVKJSA-N -1 1 386.391 1.147 20 0 GDADMM CC(=O)CCCC(=O)NC[C@H]1CCCCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001573380924 947866893 /nfs/dbraw/zinc/86/68/93/947866893.db2.gz KCFAKDPMSIFKNJ-CQSZACIVSA-N -1 1 386.460 1.281 20 0 GDADMM CC(=O)CCCC(=O)NC[C@H]1CCCCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001573380924 947866901 /nfs/dbraw/zinc/86/69/01/947866901.db2.gz KCFAKDPMSIFKNJ-CQSZACIVSA-N -1 1 386.460 1.281 20 0 GDADMM C[C@H](C(=O)N1CC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)c1ccco1 ZINC001573645802 947868841 /nfs/dbraw/zinc/86/88/41/947868841.db2.gz BGQNCWWZJXEFJK-RWMBFGLXSA-N -1 1 380.412 1.091 20 0 GDADMM C[C@H](C(=O)N1CC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)c1ccco1 ZINC001573645802 947868846 /nfs/dbraw/zinc/86/88/46/947868846.db2.gz BGQNCWWZJXEFJK-RWMBFGLXSA-N -1 1 380.412 1.091 20 0 GDADMM CC(=O)CCCC(=O)NCC1CC(Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573381331 947872125 /nfs/dbraw/zinc/87/21/25/947872125.db2.gz TUQDNNIRTOWXHC-UHFFFAOYSA-N -1 1 377.474 1.698 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CCCC[C@H]1Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573381971 947880678 /nfs/dbraw/zinc/88/06/78/947880678.db2.gz ANLBGWDRJUSGAM-ZIAGYGMSSA-N -1 1 386.460 1.564 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CCCC[C@H]1Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573381971 947880685 /nfs/dbraw/zinc/88/06/85/947880685.db2.gz ANLBGWDRJUSGAM-ZIAGYGMSSA-N -1 1 386.460 1.564 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](C)[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573647199 947887096 /nfs/dbraw/zinc/88/70/96/947887096.db2.gz DQMQNZBFLUIWAZ-OUAUKWLOSA-N -1 1 398.393 1.174 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1)n1cccc1 ZINC001573651297 947920156 /nfs/dbraw/zinc/92/01/56/947920156.db2.gz LAULCFPLAICCME-KFWWJZLASA-N -1 1 393.455 1.004 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1)n1cccc1 ZINC001573651297 947920160 /nfs/dbraw/zinc/92/01/60/947920160.db2.gz LAULCFPLAICCME-KFWWJZLASA-N -1 1 393.455 1.004 20 0 GDADMM C[C@@H](C(=O)N[C@@](C)(CNc1nccnc1-c1nnn[n-]1)C1CC1)n1cccc1 ZINC001573652125 947929486 /nfs/dbraw/zinc/92/94/86/947929486.db2.gz BEOUINLHWCATQO-SGTLLEGYSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](C(=O)N[C@@](C)(CNc1nccnc1-c1nn[n-]n1)C1CC1)n1cccc1 ZINC001573652125 947929493 /nfs/dbraw/zinc/92/94/93/947929493.db2.gz BEOUINLHWCATQO-SGTLLEGYSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](C(=O)N[C@](C)(CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)C(F)(F)F ZINC001573652099 947930156 /nfs/dbraw/zinc/93/01/56/947930156.db2.gz AVVYJVXEGZPIMN-RMLUDKJBSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](C(=O)N[C@](C)(CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)C(F)(F)F ZINC001573652099 947930163 /nfs/dbraw/zinc/93/01/63/947930163.db2.gz AVVYJVXEGZPIMN-RMLUDKJBSA-N -1 1 384.366 1.552 20 0 GDADMM Cc1cnn(-c2ccc(NC(=O)Cc3noc(C)c3-c3nnn[n-]3)cc2F)c1 ZINC000826319575 947935113 /nfs/dbraw/zinc/93/51/13/947935113.db2.gz JCLKXLMBUTZAAK-UHFFFAOYSA-N -1 1 382.359 1.978 20 0 GDADMM Cc1cnn(-c2ccc(NC(=O)Cc3noc(C)c3-c3nn[n-]n3)cc2F)c1 ZINC000826319575 947935122 /nfs/dbraw/zinc/93/51/22/947935122.db2.gz JCLKXLMBUTZAAK-UHFFFAOYSA-N -1 1 382.359 1.978 20 0 GDADMM C[C@@H](C(=O)N[C@@](C)(CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)c1ccco1 ZINC001573652875 947948950 /nfs/dbraw/zinc/94/89/50/947948950.db2.gz HVTTXPCMLRKTIJ-ZMZPIMSZSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](C(=O)N[C@@](C)(CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)c1ccco1 ZINC001573652875 947948958 /nfs/dbraw/zinc/94/89/58/947948958.db2.gz HVTTXPCMLRKTIJ-ZMZPIMSZSA-N -1 1 382.428 1.750 20 0 GDADMM Cc1onc(CC(=O)N(C)[C@H](C)c2ccc([S@](C)=O)cc2)c1-c1nnn[n-]1 ZINC000826342964 947986103 /nfs/dbraw/zinc/98/61/03/947986103.db2.gz HHTQNRKAVAGTDQ-BLBHWQHRSA-N -1 1 388.453 1.663 20 0 GDADMM Cc1onc(CC(=O)N(C)[C@H](C)c2ccc([S@](C)=O)cc2)c1-c1nn[n-]n1 ZINC000826342964 947986108 /nfs/dbraw/zinc/98/61/08/947986108.db2.gz HHTQNRKAVAGTDQ-BLBHWQHRSA-N -1 1 388.453 1.663 20 0 GDADMM Cc1onc(CC(=O)N(Cc2ccccc2)C[C@H]2CCCO2)c1-c1nnn[n-]1 ZINC000826343980 947999322 /nfs/dbraw/zinc/99/93/22/947999322.db2.gz TVFFMGRDEDYQRR-OAHLLOKOSA-N -1 1 382.424 1.913 20 0 GDADMM Cc1onc(CC(=O)N(Cc2ccccc2)C[C@H]2CCCO2)c1-c1nn[n-]n1 ZINC000826343980 947999327 /nfs/dbraw/zinc/99/93/27/947999327.db2.gz TVFFMGRDEDYQRR-OAHLLOKOSA-N -1 1 382.424 1.913 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](Cc2nccn2C)c2ccccc2)c1-c1nn[n-]n1 ZINC000826345708 948028394 /nfs/dbraw/zinc/02/83/94/948028394.db2.gz RTOSIBPKEFOJJJ-AWEZNQCLSA-N -1 1 392.423 1.539 20 0 GDADMM Cc1onc(CC(=O)N2CCOC[C@@H]2C[C@H](O)c2ccccc2)c1-c1nnn[n-]1 ZINC000826345658 948029280 /nfs/dbraw/zinc/02/92/80/948029280.db2.gz QMCWPSAYBRAKPQ-HOCLYGCPSA-N -1 1 398.423 1.057 20 0 GDADMM Cc1onc(CC(=O)N2CCOC[C@@H]2C[C@H](O)c2ccccc2)c1-c1nn[n-]n1 ZINC000826345658 948029288 /nfs/dbraw/zinc/02/92/88/948029288.db2.gz QMCWPSAYBRAKPQ-HOCLYGCPSA-N -1 1 398.423 1.057 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)c1-c1nnn[n-]1 ZINC000826345790 948031727 /nfs/dbraw/zinc/03/17/27/948031727.db2.gz UPXQSTKTJXPIJY-YOEHRIQHSA-N -1 1 386.387 1.881 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)c1-c1nn[n-]n1 ZINC000826345790 948031734 /nfs/dbraw/zinc/03/17/34/948031734.db2.gz UPXQSTKTJXPIJY-YOEHRIQHSA-N -1 1 386.387 1.881 20 0 GDADMM Cc1onc(CC(=O)N[C@H](CC(=O)N(C)C)c2ccccc2)c1-c1nnn[n-]1 ZINC000826345965 948033538 /nfs/dbraw/zinc/03/35/38/948033538.db2.gz ZCDFOZMSMFMLNX-CYBMUJFWSA-N -1 1 383.412 1.041 20 0 GDADMM Cc1onc(CC(=O)N[C@H](CC(=O)N(C)C)c2ccccc2)c1-c1nn[n-]n1 ZINC000826345965 948033544 /nfs/dbraw/zinc/03/35/44/948033544.db2.gz ZCDFOZMSMFMLNX-CYBMUJFWSA-N -1 1 383.412 1.041 20 0 GDADMM CC(C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1nccnc1-c1nnn[n-]1)C2)=C1CCC1 ZINC001573663895 948045026 /nfs/dbraw/zinc/04/50/26/948045026.db2.gz BGFIBOIAWLTSIX-QEJZJMRPSA-N -1 1 380.456 1.631 20 0 GDADMM CC(C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1nccnc1-c1nn[n-]n1)C2)=C1CCC1 ZINC001573663895 948045030 /nfs/dbraw/zinc/04/50/30/948045030.db2.gz BGFIBOIAWLTSIX-QEJZJMRPSA-N -1 1 380.456 1.631 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2)C(C)(F)F ZINC001573664069 948047178 /nfs/dbraw/zinc/04/71/78/948047178.db2.gz RTQZCPWKTYUVKJ-MNOVXSKESA-N -1 1 392.414 1.423 20 0 GDADMM Cc1onc(CC(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)c1-c1nnn[n-]1 ZINC000826347418 948053620 /nfs/dbraw/zinc/05/36/20/948053620.db2.gz QGQOBUCAHONJQW-LBPRGKRZSA-N -1 1 396.329 1.574 20 0 GDADMM Cc1onc(CC(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)c1-c1nn[n-]n1 ZINC000826347418 948053628 /nfs/dbraw/zinc/05/36/28/948053628.db2.gz QGQOBUCAHONJQW-LBPRGKRZSA-N -1 1 396.329 1.574 20 0 GDADMM Cc1onc(CC(=O)NCCc2ccn(-c3ccccc3)n2)c1-c1nnn[n-]1 ZINC000826347814 948059943 /nfs/dbraw/zinc/05/99/43/948059943.db2.gz HHULIXQWCBNAIV-UHFFFAOYSA-N -1 1 378.396 1.250 20 0 GDADMM Cc1onc(CC(=O)NCCc2ccn(-c3ccccc3)n2)c1-c1nn[n-]n1 ZINC000826347814 948059950 /nfs/dbraw/zinc/05/99/50/948059950.db2.gz HHULIXQWCBNAIV-UHFFFAOYSA-N -1 1 378.396 1.250 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nn1)CC2)C(C)(F)F ZINC001573665017 948066185 /nfs/dbraw/zinc/06/61/85/948066185.db2.gz ZXAHPYHAGVNDSJ-ZYHUDNBSSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nn1)CC2)C(C)(F)F ZINC001573665017 948066194 /nfs/dbraw/zinc/06/61/94/948066194.db2.gz ZXAHPYHAGVNDSJ-ZYHUDNBSSA-N -1 1 392.414 1.423 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(CNC(=O)OC(C)C)cc2)c1-c1nnn[n-]1 ZINC000826348295 948071545 /nfs/dbraw/zinc/07/15/45/948071545.db2.gz GACRMIGHZUSGLX-UHFFFAOYSA-N -1 1 399.411 1.979 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(CNC(=O)OC(C)C)cc2)c1-c1nn[n-]n1 ZINC000826348295 948071556 /nfs/dbraw/zinc/07/15/56/948071556.db2.gz GACRMIGHZUSGLX-UHFFFAOYSA-N -1 1 399.411 1.979 20 0 GDADMM C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)C(C)(F)F ZINC001573665721 948073726 /nfs/dbraw/zinc/07/37/26/948073726.db2.gz MKAPVCULAFHCKL-WAAKLRNESA-N -1 1 392.414 1.564 20 0 GDADMM C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)C(C)(F)F ZINC001573665721 948073739 /nfs/dbraw/zinc/07/37/39/948073739.db2.gz MKAPVCULAFHCKL-WAAKLRNESA-N -1 1 392.414 1.564 20 0 GDADMM C[C@H](C(=O)NC1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1)C(F)(F)F ZINC001573666652 948089600 /nfs/dbraw/zinc/08/96/00/948089600.db2.gz UZEKKKJHMUTXOA-XNWIYYODSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@H](C(=O)NC1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1)C(F)(F)F ZINC001573666652 948089609 /nfs/dbraw/zinc/08/96/09/948089609.db2.gz UZEKKKJHMUTXOA-XNWIYYODSA-N -1 1 384.366 1.694 20 0 GDADMM Cc1sc2ncc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)c(=O)n2c1C ZINC000826350511 948098162 /nfs/dbraw/zinc/09/81/62/948098162.db2.gz ZMJDTSKDQYJUKL-UHFFFAOYSA-N -1 1 383.393 1.305 20 0 GDADMM Cc1sc2ncc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)c(=O)n2c1C ZINC000826350511 948098167 /nfs/dbraw/zinc/09/81/67/948098167.db2.gz ZMJDTSKDQYJUKL-UHFFFAOYSA-N -1 1 383.393 1.305 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1)n1cccc1 ZINC001573677248 948132328 /nfs/dbraw/zinc/13/23/28/948132328.db2.gz WYEWPUHXUNSKCI-ZJUUUORDSA-N -1 1 392.876 1.734 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1)n1cccc1 ZINC001573677248 948132334 /nfs/dbraw/zinc/13/23/34/948132334.db2.gz WYEWPUHXUNSKCI-ZJUUUORDSA-N -1 1 392.876 1.734 20 0 GDADMM C[C@H](CNC(=O)[C@@H](C)c1ccccc1F)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001573677818 948142371 /nfs/dbraw/zinc/14/23/71/948142371.db2.gz FLIUEASLFBPGBG-NEPJUHHUSA-N -1 1 384.419 1.540 20 0 GDADMM C[C@H](CNC(=O)[C@@H](C)c1ccccc1F)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001573677818 948142377 /nfs/dbraw/zinc/14/23/77/948142377.db2.gz FLIUEASLFBPGBG-NEPJUHHUSA-N -1 1 384.419 1.540 20 0 GDADMM CC(C)[C@H](CNC(=O)[C@@H](C)c1cccs1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573678991 948156413 /nfs/dbraw/zinc/15/64/13/948156413.db2.gz HGGJVKRCPQIVNE-RYUDHWBXSA-N -1 1 386.485 1.497 20 0 GDADMM C[C@H](CNC(=O)[C@H](C)c1ccccc1F)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001573679178 948158343 /nfs/dbraw/zinc/15/83/43/948158343.db2.gz JPPBPFILTMCKDS-VXGBXAGGSA-N -1 1 384.419 1.540 20 0 GDADMM C[C@H](CNC(=O)[C@H](C)c1ccccc1F)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001573679178 948158349 /nfs/dbraw/zinc/15/83/49/948158349.db2.gz JPPBPFILTMCKDS-VXGBXAGGSA-N -1 1 384.419 1.540 20 0 GDADMM C[C@@H](C(=O)NC[C@H](C)N(C)c1nccnc1-c1nnn[n-]1)c1cccc(F)c1 ZINC001573679547 948162406 /nfs/dbraw/zinc/16/24/06/948162406.db2.gz KRVWIXMMFFTFGG-NWDGAFQWSA-N -1 1 384.419 1.540 20 0 GDADMM C[C@@H](C(=O)NC[C@H](C)N(C)c1nccnc1-c1nn[n-]n1)c1cccc(F)c1 ZINC001573679547 948162409 /nfs/dbraw/zinc/16/24/09/948162409.db2.gz KRVWIXMMFFTFGG-NWDGAFQWSA-N -1 1 384.419 1.540 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C)C(C)(F)F ZINC001573680537 948182480 /nfs/dbraw/zinc/18/24/80/948182480.db2.gz QOUCOXNZRVKAOL-UWVGGRQHSA-N -1 1 380.403 1.279 20 0 GDADMM C[C@@H](C(=O)NC[C@]1(C)CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573691508 948243776 /nfs/dbraw/zinc/24/37/76/948243776.db2.gz JKKYKFFMFKVGJT-YJYMSZOUSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NC[C@]1(C)CN(c2nccnc2-c2nnn[n-]2)CCO1)C(C)(C)C ZINC001573693795 948286592 /nfs/dbraw/zinc/28/65/92/948286592.db2.gz UDASZDGRKPHFCX-KZULUSFZSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@H](C(=O)NC[C@]1(C)CN(c2nccnc2-c2nn[n-]n2)CCO1)C(C)(C)C ZINC001573693795 948286603 /nfs/dbraw/zinc/28/66/03/948286603.db2.gz UDASZDGRKPHFCX-KZULUSFZSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1)C(C)(C)C ZINC001573696563 948328730 /nfs/dbraw/zinc/32/87/30/948328730.db2.gz SBXKPSFPFDVHRE-NSHDSACASA-N -1 1 378.502 1.273 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccsc1 ZINC001573706960 948427106 /nfs/dbraw/zinc/42/71/06/948427106.db2.gz MOTTVEHCAMUHNQ-RYUDHWBXSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccsc1 ZINC001573706960 948427109 /nfs/dbraw/zinc/42/71/09/948427109.db2.gz MOTTVEHCAMUHNQ-RYUDHWBXSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@@H](C(=O)NCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C(C)(F)F ZINC001573706999 948429006 /nfs/dbraw/zinc/42/90/06/948429006.db2.gz MRVSRCFFCMRANP-JTQLQIEISA-N -1 1 380.403 1.281 20 0 GDADMM C[C@@H](C(=O)NCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C(C)(F)F ZINC001573706999 948429013 /nfs/dbraw/zinc/42/90/13/948429013.db2.gz MRVSRCFFCMRANP-JTQLQIEISA-N -1 1 380.403 1.281 20 0 GDADMM C[C@H](C(=O)NCCC1(CNc2cnc(-c3nnn[n-]3)cn2)CC1)n1cccc1 ZINC001573708117 948442689 /nfs/dbraw/zinc/44/26/89/948442689.db2.gz RPXUERXXUUPEBK-CYBMUJFWSA-N -1 1 381.444 1.418 20 0 GDADMM C[C@H](C(=O)NCCC1(CNc2cnc(-c3nn[n-]n3)cn2)CC1)n1cccc1 ZINC001573708117 948442694 /nfs/dbraw/zinc/44/26/94/948442694.db2.gz RPXUERXXUUPEBK-CYBMUJFWSA-N -1 1 381.444 1.418 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1)c1ccc(Cl)cc1 ZINC001573721602 948541072 /nfs/dbraw/zinc/54/10/72/948541072.db2.gz ZGKSSXCEPDVPHG-NSHDSACASA-N -1 1 386.847 1.666 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1)c1ccc(Cl)cc1 ZINC001573721602 948541080 /nfs/dbraw/zinc/54/10/80/948541080.db2.gz ZGKSSXCEPDVPHG-NSHDSACASA-N -1 1 386.847 1.666 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001573725620 948544509 /nfs/dbraw/zinc/54/45/09/948544509.db2.gz CLGOFCUKJQJZPE-HZSPNIEDSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001573725620 948544518 /nfs/dbraw/zinc/54/45/18/948544518.db2.gz CLGOFCUKJQJZPE-HZSPNIEDSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001573726230 948548060 /nfs/dbraw/zinc/54/80/60/948548060.db2.gz GHBQQSSWAOQPTN-MGPQQGTHSA-N -1 1 384.488 1.459 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C)C1CCCC1 ZINC001573729948 948573382 /nfs/dbraw/zinc/57/33/82/948573382.db2.gz XCYLWLNZRNVRNE-UMVBOHGHSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C)C1CCCC1 ZINC001573729948 948573388 /nfs/dbraw/zinc/57/33/88/948573388.db2.gz XCYLWLNZRNVRNE-UMVBOHGHSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)[C@@H](C)n1cccc1 ZINC001573742375 948660785 /nfs/dbraw/zinc/66/07/85/948660785.db2.gz LODIZRKYECNGRX-RKDXNWHRSA-N -1 1 380.865 1.956 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@@H](C)n1cccc1 ZINC001573742375 948660788 /nfs/dbraw/zinc/66/07/88/948660788.db2.gz LODIZRKYECNGRX-RKDXNWHRSA-N -1 1 380.865 1.956 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)c1cccnc1 ZINC001573745065 948668012 /nfs/dbraw/zinc/66/80/12/948668012.db2.gz AGYIEETWNFPBHZ-YRGRVCCFSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)c1cccnc1 ZINC001573745065 948668023 /nfs/dbraw/zinc/66/80/23/948668023.db2.gz AGYIEETWNFPBHZ-YRGRVCCFSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccccc1F ZINC001573745076 948668068 /nfs/dbraw/zinc/66/80/68/948668068.db2.gz AHQAHNJZUGRGIQ-SDDRHHMPSA-N -1 1 382.403 1.659 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccccc1F ZINC001573745076 948668071 /nfs/dbraw/zinc/66/80/71/948668071.db2.gz AHQAHNJZUGRGIQ-SDDRHHMPSA-N -1 1 382.403 1.659 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1)C(C)(F)F ZINC001573751526 948702883 /nfs/dbraw/zinc/70/28/83/948702883.db2.gz APJLRCQQDGUCQJ-QCMRWSPLSA-N -1 1 378.387 1.174 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1)C(C)(F)F ZINC001573751526 948702888 /nfs/dbraw/zinc/70/28/88/948702888.db2.gz APJLRCQQDGUCQJ-QCMRWSPLSA-N -1 1 378.387 1.174 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)[C@@H](C)C(C)(C)C ZINC001573751885 948707777 /nfs/dbraw/zinc/70/77/77/948707777.db2.gz GMVYLYAOGLAMAT-MXOJCPGVSA-N -1 1 384.488 1.526 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)[C@@H](C)C(C)(C)C ZINC001573751885 948707781 /nfs/dbraw/zinc/70/77/81/948707781.db2.gz GMVYLYAOGLAMAT-MXOJCPGVSA-N -1 1 384.488 1.526 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)c1ccco1 ZINC001573753370 948718109 /nfs/dbraw/zinc/71/81/09/948718109.db2.gz SLGSFMSOUHEXLT-NMKXLXIOSA-N -1 1 380.412 1.279 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)c1ccco1 ZINC001573753370 948718113 /nfs/dbraw/zinc/71/81/13/948718113.db2.gz SLGSFMSOUHEXLT-NMKXLXIOSA-N -1 1 380.412 1.279 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H](F)Cc1ccccc1 ZINC001574678335 948745566 /nfs/dbraw/zinc/74/55/66/948745566.db2.gz DCNYFLBDOYXYQX-JSGCOSHPSA-N -1 1 384.419 1.544 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H](F)Cc1ccccc1 ZINC001574678335 948745570 /nfs/dbraw/zinc/74/55/70/948745570.db2.gz DCNYFLBDOYXYQX-JSGCOSHPSA-N -1 1 384.419 1.544 20 0 GDADMM CC(F)(F)C1(C(=O)NCC[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001575222168 948754239 /nfs/dbraw/zinc/75/42/39/948754239.db2.gz FVVQISJHAQKHMD-NSHDSACASA-N -1 1 392.414 1.425 20 0 GDADMM CC(F)(F)C1(C(=O)NCC[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001575222168 948754249 /nfs/dbraw/zinc/75/42/49/948754249.db2.gz FVVQISJHAQKHMD-NSHDSACASA-N -1 1 392.414 1.425 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1coc(CC2CC2)n1 ZINC001574678682 948755108 /nfs/dbraw/zinc/75/51/08/948755108.db2.gz IANPELPWCFYXCY-SNVBAGLBSA-N -1 1 383.416 1.218 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1coc(CC2CC2)n1 ZINC001574678682 948755118 /nfs/dbraw/zinc/75/51/18/948755118.db2.gz IANPELPWCFYXCY-SNVBAGLBSA-N -1 1 383.416 1.218 20 0 GDADMM CC(C)c1cccc(C(=O)N2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)n1 ZINC001574417130 948766357 /nfs/dbraw/zinc/76/63/57/948766357.db2.gz LUMXBGCUBGKYNX-UHFFFAOYSA-N -1 1 379.428 1.138 20 0 GDADMM CC(C)c1cccc(C(=O)N2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)n1 ZINC001574417130 948766367 /nfs/dbraw/zinc/76/63/67/948766367.db2.gz LUMXBGCUBGKYNX-UHFFFAOYSA-N -1 1 379.428 1.138 20 0 GDADMM C[C@@H](CNC(=O)CCc1ccccc1F)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574915615 948769018 /nfs/dbraw/zinc/76/90/18/948769018.db2.gz VTLXDAZKOIEOBL-LBPRGKRZSA-N -1 1 384.419 1.370 20 0 GDADMM C[C@@H](CNC(=O)CCc1ccccc1F)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574915615 948769033 /nfs/dbraw/zinc/76/90/33/948769033.db2.gz VTLXDAZKOIEOBL-LBPRGKRZSA-N -1 1 384.419 1.370 20 0 GDADMM CC(C)c1cccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nnn[n-]2)c1 ZINC001574418178 948771759 /nfs/dbraw/zinc/77/17/59/948771759.db2.gz UWWOBZMPQOKJOB-HOTGVXAUSA-N -1 1 390.451 1.883 20 0 GDADMM CC(C)c1cccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nn[n-]n2)c1 ZINC001574418178 948771774 /nfs/dbraw/zinc/77/17/74/948771774.db2.gz UWWOBZMPQOKJOB-HOTGVXAUSA-N -1 1 390.451 1.883 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575223962 948775663 /nfs/dbraw/zinc/77/56/63/948775663.db2.gz QULAAPKBLOMRNO-SNVBAGLBSA-N -1 1 378.387 1.177 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575223962 948775674 /nfs/dbraw/zinc/77/56/74/948775674.db2.gz QULAAPKBLOMRNO-SNVBAGLBSA-N -1 1 378.387 1.177 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)CC2)CC1 ZINC001575223941 948775704 /nfs/dbraw/zinc/77/57/04/948775704.db2.gz PYMOCKCHUOHLOU-LLVKDONJSA-N -1 1 392.414 1.567 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)CC2)CC1 ZINC001575223941 948775722 /nfs/dbraw/zinc/77/57/22/948775722.db2.gz PYMOCKCHUOHLOU-LLVKDONJSA-N -1 1 392.414 1.567 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C2CC2)CC1 ZINC001575223974 948775875 /nfs/dbraw/zinc/77/58/75/948775875.db2.gz RDQDPSXONFTRMP-NSHDSACASA-N -1 1 378.387 1.399 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C2CC2)CC1 ZINC001575223974 948775890 /nfs/dbraw/zinc/77/58/90/948775890.db2.gz RDQDPSXONFTRMP-NSHDSACASA-N -1 1 378.387 1.399 20 0 GDADMM C[C@H](C(=O)N[C@]12CCC[C@H]1CN(c1cnc(-c3nnn[n-]3)cn1)C2)C(C)(F)F ZINC001573755764 948781278 /nfs/dbraw/zinc/78/12/78/948781278.db2.gz HTFGPUHQRFMCQJ-RLFDGXBXSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@H](C(=O)N[C@]12CCC[C@H]1CN(c1cnc(-c3nn[n-]n3)cn1)C2)C(C)(F)F ZINC001573755764 948781287 /nfs/dbraw/zinc/78/12/87/948781287.db2.gz HTFGPUHQRFMCQJ-RLFDGXBXSA-N -1 1 392.414 1.423 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575224319 948781887 /nfs/dbraw/zinc/78/18/87/948781887.db2.gz TWRKZUSKAWTLKJ-NSHDSACASA-N -1 1 392.414 1.307 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cccc2c1OCC2 ZINC001574679562 948790054 /nfs/dbraw/zinc/79/00/54/948790054.db2.gz YDAQTWUCMMAEGI-LLVKDONJSA-N -1 1 380.412 1.212 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cccc2c1OCC2 ZINC001574679562 948790064 /nfs/dbraw/zinc/79/00/64/948790064.db2.gz YDAQTWUCMMAEGI-LLVKDONJSA-N -1 1 380.412 1.212 20 0 GDADMM C[C@@H](C(=O)N[C@]12CCC[C@H]1CN(c1cnc(-c3nnn[n-]3)cn1)C2)C1CCC1 ZINC001573755949 948790520 /nfs/dbraw/zinc/79/05/20/948790520.db2.gz JPBQEWDZYHHLNY-UHYGZKCKSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](C(=O)N[C@]12CCC[C@H]1CN(c1cnc(-c3nn[n-]n3)cn1)C2)C1CCC1 ZINC001573755949 948790529 /nfs/dbraw/zinc/79/05/29/948790529.db2.gz JPBQEWDZYHHLNY-UHYGZKCKSA-N -1 1 382.472 1.568 20 0 GDADMM CC(C)[C@H](F)C(=O)NCCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574080760 948801605 /nfs/dbraw/zinc/80/16/05/948801605.db2.gz NBTMFGVIUMLUCW-HNNXBMFYSA-N -1 1 376.440 1.374 20 0 GDADMM CC(C)[C@H](F)C(=O)NCCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574080760 948801622 /nfs/dbraw/zinc/80/16/22/948801622.db2.gz NBTMFGVIUMLUCW-HNNXBMFYSA-N -1 1 376.440 1.374 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001575225918 948811600 /nfs/dbraw/zinc/81/16/00/948811600.db2.gz GQOSMPXAVKMQOR-MRXNPFEDSA-N -1 1 378.387 1.131 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001575225918 948811617 /nfs/dbraw/zinc/81/16/17/948811617.db2.gz GQOSMPXAVKMQOR-MRXNPFEDSA-N -1 1 378.387 1.131 20 0 GDADMM C[C@@H](C(=O)N[C@]12CCC[C@H]1CN(c1ccc(-c3nnn[n-]3)nn1)C2)C1CCC1 ZINC001573756465 948820884 /nfs/dbraw/zinc/82/08/84/948820884.db2.gz SDJVKHXOZOLVEG-UHYGZKCKSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](C(=O)N[C@]12CCC[C@H]1CN(c1ccc(-c3nn[n-]n3)nn1)C2)C1CCC1 ZINC001573756465 948820896 /nfs/dbraw/zinc/82/08/96/948820896.db2.gz SDJVKHXOZOLVEG-UHYGZKCKSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1snnc1C1CC1 ZINC001574682171 948828967 /nfs/dbraw/zinc/82/89/67/948828967.db2.gz PGNIJZWTVSLCCM-QMMMGPOBSA-N -1 1 386.445 1.006 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1snnc1C1CC1 ZINC001574682171 948828981 /nfs/dbraw/zinc/82/89/81/948828981.db2.gz PGNIJZWTVSLCCM-QMMMGPOBSA-N -1 1 386.445 1.006 20 0 GDADMM C[C@@H](CNC(=O)CCCc1ccccn1)CNc1nccnc1-c1nnn[n-]1 ZINC001574918189 948835765 /nfs/dbraw/zinc/83/57/65/948835765.db2.gz GYSZUDQDPKGQNO-ZDUSSCGKSA-N -1 1 381.444 1.239 20 0 GDADMM C[C@@H](CNC(=O)CCCc1ccccn1)CNc1nccnc1-c1nn[n-]n1 ZINC001574918189 948835785 /nfs/dbraw/zinc/83/57/85/948835785.db2.gz GYSZUDQDPKGQNO-ZDUSSCGKSA-N -1 1 381.444 1.239 20 0 GDADMM CC(C)(C(=O)N1CCC(CCNc2ccnc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001573761079 948835593 /nfs/dbraw/zinc/83/55/93/948835593.db2.gz ANJSOPGHWCIUMP-UHFFFAOYSA-N -1 1 384.488 1.555 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001573762318 948856710 /nfs/dbraw/zinc/85/67/10/948856710.db2.gz SSQGWARHLNTMBF-VIFPVBQESA-N -1 1 384.366 1.506 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001573762318 948856730 /nfs/dbraw/zinc/85/67/30/948856730.db2.gz SSQGWARHLNTMBF-VIFPVBQESA-N -1 1 384.366 1.506 20 0 GDADMM C[C@H](CNC(=O)CCCc1cccs1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574918775 948858511 /nfs/dbraw/zinc/85/85/11/948858511.db2.gz QBQUYUQBPJVQAG-GFCCVEGCSA-N -1 1 386.485 1.682 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575231942 948869088 /nfs/dbraw/zinc/86/90/88/948869088.db2.gz BIRZECZLQMYEME-GHMZBOCLSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575231942 948869112 /nfs/dbraw/zinc/86/91/12/948869112.db2.gz BIRZECZLQMYEME-GHMZBOCLSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CC(=O)N[C@H]1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575233558 948888667 /nfs/dbraw/zinc/88/86/67/948888667.db2.gz LJRWSBSWBHSEML-QWRGUYRKSA-N -1 1 380.403 1.211 20 0 GDADMM CC(C)(C(=O)N1CC[C@@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1)C1CC1 ZINC001573764671 948894108 /nfs/dbraw/zinc/89/41/08/948894108.db2.gz PWGBRPSXUOFPFQ-LJQANCHMSA-N -1 1 382.472 1.522 20 0 GDADMM CC(C)(C(=O)N1CC[C@@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1)C1CC1 ZINC001573764671 948894122 /nfs/dbraw/zinc/89/41/22/948894122.db2.gz PWGBRPSXUOFPFQ-LJQANCHMSA-N -1 1 382.472 1.522 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1 ZINC001573764722 948895779 /nfs/dbraw/zinc/89/57/79/948895779.db2.gz REVQYQFOCWCSNT-AWEZNQCLSA-N -1 1 378.440 1.647 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1 ZINC001573764722 948895790 /nfs/dbraw/zinc/89/57/90/948895790.db2.gz REVQYQFOCWCSNT-AWEZNQCLSA-N -1 1 378.440 1.647 20 0 GDADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)Cc1ccon1 ZINC001574684967 948897359 /nfs/dbraw/zinc/89/73/59/948897359.db2.gz PWDMHDYLFNHIFA-ZETCQYMHSA-N -1 1 382.837 1.514 20 0 GDADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)NCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574088020 948906548 /nfs/dbraw/zinc/90/65/48/948906548.db2.gz CVZXBLZFAUQQHQ-AUUYWEPGSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)NCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574088020 948906558 /nfs/dbraw/zinc/90/65/58/948906558.db2.gz CVZXBLZFAUQQHQ-AUUYWEPGSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001574088006 948907513 /nfs/dbraw/zinc/90/75/13/948907513.db2.gz CRDZGXMZMMTECN-ZYKCCNLVSA-N -1 1 382.472 1.234 20 0 GDADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001574088006 948907527 /nfs/dbraw/zinc/90/75/27/948907527.db2.gz CRDZGXMZMMTECN-ZYKCCNLVSA-N -1 1 382.472 1.234 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001575235160 948912012 /nfs/dbraw/zinc/91/20/12/948912012.db2.gz TYWVJGJEVZFDAE-IJLUTSLNSA-N -1 1 392.414 1.423 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001575235160 948912022 /nfs/dbraw/zinc/91/20/22/948912022.db2.gz TYWVJGJEVZFDAE-IJLUTSLNSA-N -1 1 392.414 1.423 20 0 GDADMM CC(F)(F)CCC(=O)N1CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001575235570 948923439 /nfs/dbraw/zinc/92/34/39/948923439.db2.gz PDSWIEURFWFUKL-NSHDSACASA-N -1 1 380.403 1.885 20 0 GDADMM CC(F)(F)CCC(=O)N1CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001575235570 948923444 /nfs/dbraw/zinc/92/34/44/948923444.db2.gz PDSWIEURFWFUKL-NSHDSACASA-N -1 1 380.403 1.885 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)NCCC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001574088441 948924690 /nfs/dbraw/zinc/92/46/90/948924690.db2.gz CLHRJVODRLZOSG-GJZGRUSLSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)NCCC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001574088441 948924706 /nfs/dbraw/zinc/92/47/06/948924706.db2.gz CLHRJVODRLZOSG-GJZGRUSLSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001573771187 948936837 /nfs/dbraw/zinc/93/68/37/948936837.db2.gz CSQRKOLFOSQUHV-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573771187 948936846 /nfs/dbraw/zinc/93/68/46/948936846.db2.gz CSQRKOLFOSQUHV-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1)C(F)F ZINC001573771088 948937105 /nfs/dbraw/zinc/93/71/05/948937105.db2.gz BNZZZENSKYBTGO-NXEZZACHSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1)C(F)F ZINC001573771088 948937112 /nfs/dbraw/zinc/93/71/12/948937112.db2.gz BNZZZENSKYBTGO-NXEZZACHSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C(=O)NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573771244 948938306 /nfs/dbraw/zinc/93/83/06/948938306.db2.gz DNMWRHWXSPFETA-UHFFFAOYSA-N -1 1 384.488 1.602 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001575237513 948947518 /nfs/dbraw/zinc/94/75/18/948947518.db2.gz GWDTWQRTTJDPQP-LBPRGKRZSA-N -1 1 392.414 1.567 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001575237513 948947524 /nfs/dbraw/zinc/94/75/24/948947524.db2.gz GWDTWQRTTJDPQP-LBPRGKRZSA-N -1 1 392.414 1.567 20 0 GDADMM CC(F)(F)CCC(=O)NCC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575237860 948949100 /nfs/dbraw/zinc/94/91/00/948949100.db2.gz IORGAHKFOUEGPD-NSHDSACASA-N -1 1 380.403 1.425 20 0 GDADMM CC(F)(F)CCC(=O)NCC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575237860 948949120 /nfs/dbraw/zinc/94/91/20/948949120.db2.gz IORGAHKFOUEGPD-NSHDSACASA-N -1 1 380.403 1.425 20 0 GDADMM CC(C)c1ncsc1C(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574433404 948956596 /nfs/dbraw/zinc/95/65/96/948956596.db2.gz LPZIWCKCXDZFFF-JTQLQIEISA-N -1 1 387.473 1.491 20 0 GDADMM CC(C)c1ncsc1C(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574433404 948956608 /nfs/dbraw/zinc/95/66/08/948956608.db2.gz LPZIWCKCXDZFFF-JTQLQIEISA-N -1 1 387.473 1.491 20 0 GDADMM CC(C)(C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C(F)(F)F ZINC001573772809 948966656 /nfs/dbraw/zinc/96/66/56/948966656.db2.gz FLZUVEHXFMOLGX-UHFFFAOYSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C(F)(F)F ZINC001573772809 948966664 /nfs/dbraw/zinc/96/66/64/948966664.db2.gz FLZUVEHXFMOLGX-UHFFFAOYSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)[C@]1(C)C[C@H]1C(=O)NC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574090246 948978682 /nfs/dbraw/zinc/97/86/82/948978682.db2.gz MJBRXHCCLHTXSD-DJJJIMSYSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)[C@]1(C)C[C@H]1C(=O)NC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574090246 948978686 /nfs/dbraw/zinc/97/86/86/948978686.db2.gz MJBRXHCCLHTXSD-DJJJIMSYSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)[C@]1(C)C[C@@H]1C(=O)NC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574090248 948980330 /nfs/dbraw/zinc/98/03/30/948980330.db2.gz MJBRXHCCLHTXSD-YJYMSZOUSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)[C@]1(C)C[C@@H]1C(=O)NC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574090248 948980341 /nfs/dbraw/zinc/98/03/41/948980341.db2.gz MJBRXHCCLHTXSD-YJYMSZOUSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C(=O)NC[C@H](CO)Nc1nc(-c2nn[n-]n2)c(Cl)s1)C1CC1 ZINC001573773425 948984641 /nfs/dbraw/zinc/98/46/41/948984641.db2.gz BQBGBFBZYOPWLX-MRVPVSSYSA-N -1 1 385.881 1.302 20 0 GDADMM C[C@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001575501348 949008430 /nfs/dbraw/zinc/00/84/30/949008430.db2.gz HERFDVDESYCZQC-QMMMGPOBSA-N -1 1 397.424 1.499 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)C(F)F ZINC001573778987 949048853 /nfs/dbraw/zinc/04/88/53/949048853.db2.gz BOPMGKDFENKFPO-SNVBAGLBSA-N -1 1 380.403 1.281 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)C(F)F ZINC001573778987 949048873 /nfs/dbraw/zinc/04/88/73/949048873.db2.gz BOPMGKDFENKFPO-SNVBAGLBSA-N -1 1 380.403 1.281 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001573778966 949051368 /nfs/dbraw/zinc/05/13/68/949051368.db2.gz AUGDECKNJYKWJU-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001573778966 949051383 /nfs/dbraw/zinc/05/13/83/949051383.db2.gz AUGDECKNJYKWJU-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C ZINC001574441171 949054729 /nfs/dbraw/zinc/05/47/29/949054729.db2.gz HAAHRUFPSCPCSE-PWSUYJOCSA-N -1 1 383.416 1.165 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C ZINC001574441171 949054751 /nfs/dbraw/zinc/05/47/51/949054751.db2.gz HAAHRUFPSCPCSE-PWSUYJOCSA-N -1 1 383.416 1.165 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)c1cccnn1 ZINC001574694057 949066153 /nfs/dbraw/zinc/06/61/53/949066153.db2.gz KEVFCEGFKZFNCZ-SSDOTTSWSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)c1cccnn1 ZINC001574694057 949066174 /nfs/dbraw/zinc/06/61/74/949066174.db2.gz KEVFCEGFKZFNCZ-SSDOTTSWSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)c1cccnn1 ZINC001574694059 949066610 /nfs/dbraw/zinc/06/66/10/949066610.db2.gz KEVFCEGFKZFNCZ-ZETCQYMHSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)c1cccnn1 ZINC001574694059 949066632 /nfs/dbraw/zinc/06/66/32/949066632.db2.gz KEVFCEGFKZFNCZ-ZETCQYMHSA-N -1 1 379.837 1.387 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)C(F)(F)F ZINC001573779692 949068546 /nfs/dbraw/zinc/06/85/46/949068546.db2.gz MHXJGLLKZAVUNT-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)C(F)(F)F ZINC001573779692 949068569 /nfs/dbraw/zinc/06/85/69/949068569.db2.gz MHXJGLLKZAVUNT-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)c1occc1C(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574441676 949069116 /nfs/dbraw/zinc/06/91/16/949069116.db2.gz RZOPAKQRPPARPH-BXUZGUMPSA-N -1 1 382.428 1.946 20 0 GDADMM CC(C)c1occc1C(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574441676 949069137 /nfs/dbraw/zinc/06/91/37/949069137.db2.gz RZOPAKQRPPARPH-BXUZGUMPSA-N -1 1 382.428 1.946 20 0 GDADMM CC(C)c1nocc1C(=O)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574441912 949082234 /nfs/dbraw/zinc/08/22/34/949082234.db2.gz FBUHTAZQDQBRDI-UHFFFAOYSA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1nocc1C(=O)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574441912 949082249 /nfs/dbraw/zinc/08/22/49/949082249.db2.gz FBUHTAZQDQBRDI-UHFFFAOYSA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)C1CCC1 ZINC001573780060 949083076 /nfs/dbraw/zinc/08/30/76/949083076.db2.gz QTLYXIIAHFLVGX-ZSOGYDGISA-N -1 1 382.472 1.281 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)C1CCC1 ZINC001573780060 949083091 /nfs/dbraw/zinc/08/30/91/949083091.db2.gz QTLYXIIAHFLVGX-ZSOGYDGISA-N -1 1 382.472 1.281 20 0 GDADMM CC(C)[C@H]1C[C@@H](CC(=O)NCCN(C)c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC001574093005 949089609 /nfs/dbraw/zinc/08/96/09/949089609.db2.gz QQJBWBUUYQHUTC-DZGCQCFKSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)[C@H]1C[C@@H](CC(=O)NCCN(C)c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC001574093005 949089628 /nfs/dbraw/zinc/08/96/28/949089628.db2.gz QQJBWBUUYQHUTC-DZGCQCFKSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@H](CN(C)C(=O)C(C)(C)C1CCOCC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574694714 949091287 /nfs/dbraw/zinc/09/12/87/949091287.db2.gz VAXDRGPOVONTSB-GFCCVEGCSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@H](CN(C)C(=O)C(C)(C)C1CCOCC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574694714 949091308 /nfs/dbraw/zinc/09/13/08/949091308.db2.gz VAXDRGPOVONTSB-GFCCVEGCSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@@H](CNC(=O)COCC1CC1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574929362 949093486 /nfs/dbraw/zinc/09/34/86/949093486.db2.gz DSVHLVMWIDICCS-QMMMGPOBSA-N -1 1 385.881 1.344 20 0 GDADMM C[C@@H](CNC(=O)COCC1CC1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574929362 949093511 /nfs/dbraw/zinc/09/35/11/949093511.db2.gz DSVHLVMWIDICCS-QMMMGPOBSA-N -1 1 385.881 1.344 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)C(F)F ZINC001573780403 949094207 /nfs/dbraw/zinc/09/42/07/949094207.db2.gz YGZNJFOQIWZMMN-JTQLQIEISA-N -1 1 380.403 1.281 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)C(F)F ZINC001573780403 949094230 /nfs/dbraw/zinc/09/42/30/949094230.db2.gz YGZNJFOQIWZMMN-JTQLQIEISA-N -1 1 380.403 1.281 20 0 GDADMM CC(C)c1nocc1C(=O)N(C)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001574442368 949096454 /nfs/dbraw/zinc/09/64/54/949096454.db2.gz NADVZVCPVHMHLP-NSHDSACASA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1nocc1C(=O)N(C)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001574442368 949096474 /nfs/dbraw/zinc/09/64/74/949096474.db2.gz NADVZVCPVHMHLP-NSHDSACASA-N -1 1 383.416 1.119 20 0 GDADMM C[C@@H](NC(=O)C1(C(F)F)CC1)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575249424 949098711 /nfs/dbraw/zinc/09/87/11/949098711.db2.gz BSMZFAHLPUPSRL-GHMZBOCLSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001575505062 949102720 /nfs/dbraw/zinc/10/27/20/949102720.db2.gz YGQSXVFECZEOEV-VIFPVBQESA-N -1 1 392.466 1.409 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@@H](C)CCNc1nccnc1-c1nnn[n-]1 ZINC001574695208 949103617 /nfs/dbraw/zinc/10/36/17/949103617.db2.gz FBIPBVBFDULSIP-JTQLQIEISA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@@H](C)CCNc1nccnc1-c1nn[n-]n1 ZINC001574695208 949103625 /nfs/dbraw/zinc/10/36/25/949103625.db2.gz FBIPBVBFDULSIP-JTQLQIEISA-N -1 1 387.473 1.857 20 0 GDADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)C(C)(C)c1cccnc1 ZINC001575249942 949107091 /nfs/dbraw/zinc/10/70/91/949107091.db2.gz CKFQXZONKUKKMD-NEPJUHHUSA-N -1 1 381.444 1.335 20 0 GDADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)C(C)(C)c1cccnc1 ZINC001575249942 949107077 /nfs/dbraw/zinc/10/70/77/949107077.db2.gz CKFQXZONKUKKMD-NEPJUHHUSA-N -1 1 381.444 1.335 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)Cc1ccc(Cl)s1 ZINC001574695348 949108132 /nfs/dbraw/zinc/10/81/32/949108132.db2.gz GBMXWJWEPUASLC-SECBINFHSA-N -1 1 392.876 1.921 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)Cc1ccc(Cl)s1 ZINC001574695348 949108138 /nfs/dbraw/zinc/10/81/38/949108138.db2.gz GBMXWJWEPUASLC-SECBINFHSA-N -1 1 392.876 1.921 20 0 GDADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H](C)NC(=O)C(C)(C)c1cccnc1 ZINC001575250341 949109055 /nfs/dbraw/zinc/10/90/55/949109055.db2.gz FCRMIHDWARKLAX-NEPJUHHUSA-N -1 1 381.444 1.335 20 0 GDADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)C(C)(C)c1cccnc1 ZINC001575250341 949109069 /nfs/dbraw/zinc/10/90/69/949109069.db2.gz FCRMIHDWARKLAX-NEPJUHHUSA-N -1 1 381.444 1.335 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cc(Cl)cn1C ZINC001574695829 949115661 /nfs/dbraw/zinc/11/56/61/949115661.db2.gz KEZLCBXNDLZCQB-VIFPVBQESA-N -1 1 375.824 1.269 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cc(Cl)cn1C ZINC001574695829 949115676 /nfs/dbraw/zinc/11/56/76/949115676.db2.gz KEZLCBXNDLZCQB-VIFPVBQESA-N -1 1 375.824 1.269 20 0 GDADMM CC(C)c1occc1C(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001574446071 949118727 /nfs/dbraw/zinc/11/87/27/949118727.db2.gz HKYKGICAUUMGIS-CQSZACIVSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1occc1C(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001574446071 949118743 /nfs/dbraw/zinc/11/87/43/949118743.db2.gz HKYKGICAUUMGIS-CQSZACIVSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1occc1C(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574446290 949126837 /nfs/dbraw/zinc/12/68/37/949126837.db2.gz NGCMFFCPIHGBRB-HAQNSBGRSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1occc1C(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574446290 949126854 /nfs/dbraw/zinc/12/68/54/949126854.db2.gz NGCMFFCPIHGBRB-HAQNSBGRSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1ocnc1C(=O)N1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001574446619 949136696 /nfs/dbraw/zinc/13/66/96/949136696.db2.gz SYUPZWYWFIWXQC-JQWIXIFHSA-N -1 1 383.416 1.341 20 0 GDADMM CC(C)c1ocnc1C(=O)N1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001574446619 949136716 /nfs/dbraw/zinc/13/67/16/949136716.db2.gz SYUPZWYWFIWXQC-JQWIXIFHSA-N -1 1 383.416 1.341 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1c(F)cc(F)cc1F ZINC001574696783 949139004 /nfs/dbraw/zinc/13/90/04/949139004.db2.gz UIWGXFCGRTZWSH-QMMMGPOBSA-N -1 1 392.345 1.695 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1c(F)cc(F)cc1F ZINC001574696783 949139015 /nfs/dbraw/zinc/13/90/15/949139015.db2.gz UIWGXFCGRTZWSH-QMMMGPOBSA-N -1 1 392.345 1.695 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCCCC1 ZINC001574094629 949140061 /nfs/dbraw/zinc/14/00/61/949140061.db2.gz YZPGAIHNJRJYQX-ZIAGYGMSSA-N -1 1 384.488 1.602 20 0 GDADMM CC(C)(C(=O)NCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1)c1ccccc1 ZINC001573783004 949141514 /nfs/dbraw/zinc/14/15/14/949141514.db2.gz ZWMYLEZGZXXDJI-UHFFFAOYSA-N -1 1 392.467 1.720 20 0 GDADMM CC(C)(C(=O)NCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1)c1ccccc1 ZINC001573783004 949141516 /nfs/dbraw/zinc/14/15/16/949141516.db2.gz ZWMYLEZGZXXDJI-UHFFFAOYSA-N -1 1 392.467 1.720 20 0 GDADMM CC(C)[C@@H]1C[C@H](C(=O)NCC2(Nc3cncc(-c4nnn[n-]4)n3)CC2)CCO1 ZINC001574095798 949153233 /nfs/dbraw/zinc/15/32/33/949153233.db2.gz ZCYOGHVKNHBYER-OCCSQVGLSA-N -1 1 386.460 1.169 20 0 GDADMM CC(C)[C@@H]1C[C@H](C(=O)NCC2(Nc3cncc(-c4nn[n-]n4)n3)CC2)CCO1 ZINC001574095798 949153245 /nfs/dbraw/zinc/15/32/45/949153245.db2.gz ZCYOGHVKNHBYER-OCCSQVGLSA-N -1 1 386.460 1.169 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001573786909 949154981 /nfs/dbraw/zinc/15/49/81/949154981.db2.gz DOTMCZGYIQRONF-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001573786909 949154995 /nfs/dbraw/zinc/15/49/95/949154995.db2.gz DOTMCZGYIQRONF-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574447465 949162903 /nfs/dbraw/zinc/16/29/03/949162903.db2.gz OMQYOPXSOLPNEU-UHFFFAOYSA-N -1 1 383.416 1.121 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574447465 949162914 /nfs/dbraw/zinc/16/29/14/949162914.db2.gz OMQYOPXSOLPNEU-UHFFFAOYSA-N -1 1 383.416 1.121 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)[C@@H]1CCCCO1 ZINC001573787133 949168255 /nfs/dbraw/zinc/16/82/55/949168255.db2.gz MWAVLIXDVCJHJD-SCRDCRAPSA-N -1 1 386.460 1.311 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)[C@@H]1CCCCO1 ZINC001573787133 949168260 /nfs/dbraw/zinc/16/82/60/949168260.db2.gz MWAVLIXDVCJHJD-SCRDCRAPSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@H](NC(=O)C1(CF)CCC1)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575252853 949173407 /nfs/dbraw/zinc/17/34/07/949173407.db2.gz IABZOTSNEUFVOM-QWHCGFSZSA-N -1 1 388.451 1.518 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H](C)c1ccccc1F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574698280 949183931 /nfs/dbraw/zinc/18/39/31/949183931.db2.gz IQEUMJIGOBKYJM-VXGBXAGGSA-N -1 1 384.419 1.280 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(F)cc1F)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574935351 949194059 /nfs/dbraw/zinc/19/40/59/949194059.db2.gz AOAKJEXYGURQPE-SNVBAGLBSA-N -1 1 388.382 1.119 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(F)cc1F)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574935351 949194070 /nfs/dbraw/zinc/19/40/70/949194070.db2.gz AOAKJEXYGURQPE-SNVBAGLBSA-N -1 1 388.382 1.119 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(Cl)c(F)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574935387 949199596 /nfs/dbraw/zinc/19/95/96/949199596.db2.gz BDNNEXSJDBJTAM-SECBINFHSA-N -1 1 390.810 1.609 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(Cl)c(F)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574935387 949199604 /nfs/dbraw/zinc/19/96/04/949199604.db2.gz BDNNEXSJDBJTAM-SECBINFHSA-N -1 1 390.810 1.609 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(Cl)s1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574936080 949209129 /nfs/dbraw/zinc/20/91/29/949209129.db2.gz HBXVZNQUJCMSHZ-SECBINFHSA-N -1 1 392.876 1.200 20 0 GDADMM CC(C)c1scnc1C(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574451107 949217542 /nfs/dbraw/zinc/21/75/42/949217542.db2.gz CCIQODZGUSXWHC-GHMZBOCLSA-N -1 1 399.484 1.809 20 0 GDADMM CC(C)c1scnc1C(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574451107 949217564 /nfs/dbraw/zinc/21/75/64/949217564.db2.gz CCIQODZGUSXWHC-GHMZBOCLSA-N -1 1 399.484 1.809 20 0 GDADMM C[C@H](c1ccccc1F)N1CCC[C@@H](Nc2cc(-c3nnn[n-]3)ncn2)C1=O ZINC001575517607 949231031 /nfs/dbraw/zinc/23/10/31/949231031.db2.gz XICJBILFFZEAAN-BXUZGUMPSA-N -1 1 382.403 1.960 20 0 GDADMM C[C@H](c1ccccc1F)N1CCC[C@@H](Nc2cc(-c3nn[n-]n3)ncn2)C1=O ZINC001575517607 949231054 /nfs/dbraw/zinc/23/10/54/949231054.db2.gz XICJBILFFZEAAN-BXUZGUMPSA-N -1 1 382.403 1.960 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H](C)Oc1ccccc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574699746 949242033 /nfs/dbraw/zinc/24/20/33/949242033.db2.gz WHOHGRKIXATKIV-OLZOCXBDSA-N -1 1 382.428 1.383 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H](C)Oc1ccccc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574699746 949242053 /nfs/dbraw/zinc/24/20/53/949242053.db2.gz WHOHGRKIXATKIV-OLZOCXBDSA-N -1 1 382.428 1.383 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H](C)Oc1ccccc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574699745 949244535 /nfs/dbraw/zinc/24/45/35/949244535.db2.gz WHOHGRKIXATKIV-CHWSQXEVSA-N -1 1 382.428 1.383 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H](C)Oc1ccccc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574699745 949244549 /nfs/dbraw/zinc/24/45/49/949244549.db2.gz WHOHGRKIXATKIV-CHWSQXEVSA-N -1 1 382.428 1.383 20 0 GDADMM C[C@H]1CCC[C@H](C(=O)N(C)C2CCN(c3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001576153616 949294280 /nfs/dbraw/zinc/29/42/80/949294280.db2.gz NMGQQBHYYCDTHI-KBPBESRZSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CCC[C@H](C(=O)N(C)C2CCN(c3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001576153616 949294299 /nfs/dbraw/zinc/29/42/99/949294299.db2.gz NMGQQBHYYCDTHI-KBPBESRZSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCC[C@H](C(=O)N2C[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]3C2)C1 ZINC001576153612 949296368 /nfs/dbraw/zinc/29/63/68/949296368.db2.gz NKOAMQWGCJFKDA-BARDWOONSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H]1CCC[C@H](C(=O)N2C[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]3C2)C1 ZINC001576153612 949296384 /nfs/dbraw/zinc/29/63/84/949296384.db2.gz NKOAMQWGCJFKDA-BARDWOONSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H](CNC(=O)Cc1ccccc1Cl)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574941750 949314346 /nfs/dbraw/zinc/31/43/46/949314346.db2.gz SCFLJTMWQVDODZ-LLVKDONJSA-N -1 1 386.847 1.494 20 0 GDADMM C[C@H](CNC(=O)Cc1ccccc1Cl)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574941750 949314369 /nfs/dbraw/zinc/31/43/69/949314369.db2.gz SCFLJTMWQVDODZ-LLVKDONJSA-N -1 1 386.847 1.494 20 0 GDADMM CC(C)n1ccc(C(=O)NCC2CC(Nc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001574457298 949319926 /nfs/dbraw/zinc/31/99/26/949319926.db2.gz FRUNAITVNLGKCW-UHFFFAOYSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1ccc(C(=O)NCC2CC(Nc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001574457298 949319945 /nfs/dbraw/zinc/31/99/45/949319945.db2.gz FRUNAITVNLGKCW-UHFFFAOYSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cnco1 ZINC001576154187 949325258 /nfs/dbraw/zinc/32/52/58/949325258.db2.gz CIXZUVHLLVBBMA-GTNSWQLSSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cnco1 ZINC001576154187 949325281 /nfs/dbraw/zinc/32/52/81/949325281.db2.gz CIXZUVHLLVBBMA-GTNSWQLSSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@H](NC(=O)C1C=CC=CC=C1)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575259464 949329947 /nfs/dbraw/zinc/32/99/47/949329947.db2.gz OTCWSJPBGGWMNF-HOCLYGCPSA-N -1 1 392.467 1.676 20 0 GDADMM C[C@H](NC(=O)C1C=CC=CC=C1)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575259464 949329965 /nfs/dbraw/zinc/32/99/65/949329965.db2.gz OTCWSJPBGGWMNF-HOCLYGCPSA-N -1 1 392.467 1.676 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc2c(c1)CCC2)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574942151 949335788 /nfs/dbraw/zinc/33/57/88/949335788.db2.gz WNOAKBDMLBBHNZ-CYBMUJFWSA-N -1 1 392.467 1.552 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc2c(c1)CCC2)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574942151 949335807 /nfs/dbraw/zinc/33/58/07/949335807.db2.gz WNOAKBDMLBBHNZ-CYBMUJFWSA-N -1 1 392.467 1.552 20 0 GDADMM C[C@@H](NC(=O)C1=CCOCC1)[C@@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575260055 949342086 /nfs/dbraw/zinc/34/20/86/949342086.db2.gz TZRIQPMQUDWNQD-HTQZYQBOSA-N -1 1 383.865 1.628 20 0 GDADMM CC(C)CC(=O)N1C[C@@H]2CN(c3snc(Cl)c3-c3nnn[n-]3)C[C@@H]2C1 ZINC001574110032 949343780 /nfs/dbraw/zinc/34/37/80/949343780.db2.gz MZKXXUFTZSAPLS-AOOOYVTPSA-N -1 1 381.893 1.917 20 0 GDADMM CC(C)CC(=O)N1C[C@@H]2CN(c3snc(Cl)c3-c3nn[n-]n3)C[C@@H]2C1 ZINC001574110032 949343802 /nfs/dbraw/zinc/34/38/02/949343802.db2.gz MZKXXUFTZSAPLS-AOOOYVTPSA-N -1 1 381.893 1.917 20 0 GDADMM CC1=CC[C@](C)(C(=O)N2C[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)[C@H](C)C2)CC1 ZINC001575863414 949350752 /nfs/dbraw/zinc/35/07/52/949350752.db2.gz CKANMGJLPKTFLK-SXGZJXTBSA-N -1 1 396.499 1.722 20 0 GDADMM CC(C)n1ccc(C(=O)N(C)CCCN(C)c2ccnc(-c3nn[n-]n3)n2)n1 ZINC001574458833 949354273 /nfs/dbraw/zinc/35/42/73/949354273.db2.gz ZPQRJNCITLLOEC-UHFFFAOYSA-N -1 1 384.448 1.033 20 0 GDADMM C[C@@H](Nc1nc(-c2nn[n-]n2)c(Cl)s1)[C@H](C)NC(=O)C1=COCCO1 ZINC001575260878 949365651 /nfs/dbraw/zinc/36/56/51/949365651.db2.gz YEZVTSQIGSKIJX-NKWVEPMBSA-N -1 1 385.837 1.170 20 0 GDADMM CC(C)n1cccc1C(=O)N1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574463802 949382768 /nfs/dbraw/zinc/38/27/68/949382768.db2.gz BCWGALODBOWQRD-ZDUSSCGKSA-N -1 1 381.444 1.390 20 0 GDADMM CC(C)n1cccc1C(=O)N1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574463802 949382789 /nfs/dbraw/zinc/38/27/89/949382789.db2.gz BCWGALODBOWQRD-ZDUSSCGKSA-N -1 1 381.444 1.390 20 0 GDADMM C[C@@H](NC(=O)CC(C)(F)F)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575263144 949386087 /nfs/dbraw/zinc/38/60/87/949386087.db2.gz FBKIXSQVKXYHSD-MNOVXSKESA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](NC(=O)CC(C)(F)F)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575263144 949386110 /nfs/dbraw/zinc/38/61/10/949386110.db2.gz FBKIXSQVKXYHSD-MNOVXSKESA-N -1 1 380.403 1.423 20 0 GDADMM CC(C)n1cccc1C(=O)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001574463844 949389101 /nfs/dbraw/zinc/38/91/01/949389101.db2.gz CLNRXHTYPGTVOC-UHFFFAOYSA-N -1 1 381.444 1.756 20 0 GDADMM CC(C)n1cccc1C(=O)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001574463844 949389115 /nfs/dbraw/zinc/38/91/15/949389115.db2.gz CLNRXHTYPGTVOC-UHFFFAOYSA-N -1 1 381.444 1.756 20 0 GDADMM C[C@H](CNC(=O)Cc1csc(C2CC2)n1)Nc1nccnc1-c1nnn[n-]1 ZINC001574944379 949390111 /nfs/dbraw/zinc/39/01/11/949390111.db2.gz CCMCFAUONDLOHQ-SECBINFHSA-N -1 1 385.457 1.150 20 0 GDADMM C[C@H](CNC(=O)Cc1csc(C2CC2)n1)Nc1nccnc1-c1nn[n-]n1 ZINC001574944379 949390135 /nfs/dbraw/zinc/39/01/35/949390135.db2.gz CCMCFAUONDLOHQ-SECBINFHSA-N -1 1 385.457 1.150 20 0 GDADMM CC(C)(C)C(=O)NC[C@@H]1[C@H]2CN(c3nc(-c4nn[n-]n4)c(Cl)s3)C[C@H]21 ZINC001573801429 949401121 /nfs/dbraw/zinc/40/11/21/949401121.db2.gz AHCHLOGUKBIXNA-PSVAKVPMSA-N -1 1 381.893 1.821 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001574464259 949403496 /nfs/dbraw/zinc/40/34/96/949403496.db2.gz HXKLJXJGCDDKBE-CYBMUJFWSA-N -1 1 381.444 1.660 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001574464259 949403509 /nfs/dbraw/zinc/40/35/09/949403509.db2.gz HXKLJXJGCDDKBE-CYBMUJFWSA-N -1 1 381.444 1.660 20 0 GDADMM CC1(C(=O)N2CC[C@H](CCNc3nccnc3-c3nnn[n-]3)C2)CC(F)(F)C1 ZINC001575533208 949417106 /nfs/dbraw/zinc/41/71/06/949417106.db2.gz FFZVYGXFFMSLTG-NSHDSACASA-N -1 1 392.414 1.743 20 0 GDADMM CC1(C(=O)N2CC[C@H](CCNc3nccnc3-c3nn[n-]n3)C2)CC(F)(F)C1 ZINC001575533208 949417120 /nfs/dbraw/zinc/41/71/20/949417120.db2.gz FFZVYGXFFMSLTG-NSHDSACASA-N -1 1 392.414 1.743 20 0 GDADMM CC(C)n1cccc1C(=O)NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001574465122 949428660 /nfs/dbraw/zinc/42/86/60/949428660.db2.gz OZOZGFZJRXLDON-UHFFFAOYSA-N -1 1 381.444 1.438 20 0 GDADMM CC(C)n1cccc1C(=O)NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001574465122 949428673 /nfs/dbraw/zinc/42/86/73/949428673.db2.gz OZOZGFZJRXLDON-UHFFFAOYSA-N -1 1 381.444 1.438 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001574465104 949431293 /nfs/dbraw/zinc/43/12/93/949431293.db2.gz NRPAURYNSNSRND-CYBMUJFWSA-N -1 1 381.444 1.082 20 0 GDADMM C[C@@H](CNC(=O)Cc1cnoc1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574946579 949434637 /nfs/dbraw/zinc/43/46/37/949434637.db2.gz VTIZRPNKZQJLDO-ZETCQYMHSA-N -1 1 382.837 1.148 20 0 GDADMM C[C@H]1[C@H](NC(=O)C(C)(C)C2CCC2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575867424 949437412 /nfs/dbraw/zinc/43/74/12/949437412.db2.gz JTBIFHYGMVSSHB-GXTWGEPZSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H]1[C@H](NC(=O)C(C)(C)C2CCC2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575867424 949437432 /nfs/dbraw/zinc/43/74/32/949437432.db2.gz JTBIFHYGMVSSHB-GXTWGEPZSA-N -1 1 384.488 1.957 20 0 GDADMM CC(C)(C)C(=O)NC[C@@H]1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)CCO1 ZINC001573803297 949440702 /nfs/dbraw/zinc/44/07/02/949440702.db2.gz QBKICQBPWGXJEM-MRVPVSSYSA-N -1 1 385.881 1.344 20 0 GDADMM CC(C)n1cccc1C(=O)N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574465661 949442411 /nfs/dbraw/zinc/44/24/11/949442411.db2.gz UWWDMWFDNFWXFK-UHFFFAOYSA-N -1 1 381.444 1.756 20 0 GDADMM CC(C)n1cccc1C(=O)N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574465661 949442425 /nfs/dbraw/zinc/44/24/25/949442425.db2.gz UWWDMWFDNFWXFK-UHFFFAOYSA-N -1 1 381.444 1.756 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@@]1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574465708 949443298 /nfs/dbraw/zinc/44/32/98/949443298.db2.gz WWRSARIRZABUDX-SFHVURJKSA-N -1 1 381.444 1.438 20 0 GDADMM CC(C)(C)C(=O)NC[C@@H]1Cc2ccccc2CN1c1cnc(-c2nnn[n-]2)cn1 ZINC001573803874 949452125 /nfs/dbraw/zinc/45/21/25/949452125.db2.gz VVZFEGIBHACQLZ-HNNXBMFYSA-N -1 1 392.467 1.750 20 0 GDADMM CC(C)(C)C(=O)NC[C@@H]1Cc2ccccc2CN1c1cnc(-c2nn[n-]n2)cn1 ZINC001573803874 949452139 /nfs/dbraw/zinc/45/21/39/949452139.db2.gz VVZFEGIBHACQLZ-HNNXBMFYSA-N -1 1 392.467 1.750 20 0 GDADMM C[C@@H]1CCC[C@]1(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001576156662 949454164 /nfs/dbraw/zinc/45/41/64/949454164.db2.gz ZAAHZLNTHNPDBP-PXWIGAEESA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2(C)CC(F)(F)C2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575868726 949463769 /nfs/dbraw/zinc/46/37/69/949463769.db2.gz OPHIOTAJSWWREK-WDEREUQCSA-N -1 1 392.414 1.566 20 0 GDADMM CC(C)(C)C(=O)NCc1ccc2c(c1)CN(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001573806132 949480340 /nfs/dbraw/zinc/48/03/40/949480340.db2.gz GTSZACHZPVUDOH-UHFFFAOYSA-N -1 1 378.440 1.839 20 0 GDADMM CC(C)(C)C(=O)NCc1ccc2c(c1)CN(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001573806132 949480360 /nfs/dbraw/zinc/48/03/60/949480360.db2.gz GTSZACHZPVUDOH-UHFFFAOYSA-N -1 1 378.440 1.839 20 0 GDADMM C[C@@H]1CCC[C@@H]1CC(=O)NC1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576160170 949530347 /nfs/dbraw/zinc/53/03/47/949530347.db2.gz ZXOLQAADYRVLJD-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCC[C@@H]1CC(=O)NC1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576160170 949530359 /nfs/dbraw/zinc/53/03/59/949530359.db2.gz ZXOLQAADYRVLJD-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](NC(=O)CCC1(C)CC1)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575268784 949531465 /nfs/dbraw/zinc/53/14/65/949531465.db2.gz PCROFJUJEVVOSI-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](NC(=O)CCC1(C)CC1)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575268784 949531488 /nfs/dbraw/zinc/53/14/88/949531488.db2.gz PCROFJUJEVVOSI-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CC(=O)N(C)C1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574471856 949538109 /nfs/dbraw/zinc/53/81/09/949538109.db2.gz NSBJDNGXIDKNRT-HIFPTAJRSA-N -1 1 382.428 1.267 20 0 GDADMM C[C@H]1CCCC[C@H]1OCC(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001576164573 949558130 /nfs/dbraw/zinc/55/81/30/949558130.db2.gz HNMXCCKUVKLDIC-GXTWGEPZSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H]1CCCC[C@H]1OCC(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001576164573 949558148 /nfs/dbraw/zinc/55/81/48/949558148.db2.gz HNMXCCKUVKLDIC-GXTWGEPZSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H]1CCCN(C(=O)CC(C)(C)O)[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001576165884 949574967 /nfs/dbraw/zinc/57/49/67/949574967.db2.gz KJLZZEMLSZVPFH-STQMWFEESA-N -1 1 388.476 1.247 20 0 GDADMM C[C@H]1CCCN(C(=O)CC(C)(C)O)[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001576165884 949574984 /nfs/dbraw/zinc/57/49/84/949574984.db2.gz KJLZZEMLSZVPFH-STQMWFEESA-N -1 1 388.476 1.247 20 0 GDADMM CC(C)C[C@@H](C(=O)NC[C@H](C)Nc1nccnc1-c1nnn[n-]1)n1ccnc1 ZINC001574125037 949579824 /nfs/dbraw/zinc/57/98/24/949579824.db2.gz NIZJLMDYPBPMCZ-STQMWFEESA-N -1 1 384.448 1.057 20 0 GDADMM CC(C)C[C@@H](C(=O)NC[C@H](C)Nc1nccnc1-c1nn[n-]n1)n1ccnc1 ZINC001574125037 949579851 /nfs/dbraw/zinc/57/98/51/949579851.db2.gz NIZJLMDYPBPMCZ-STQMWFEESA-N -1 1 384.448 1.057 20 0 GDADMM C[C@@H](NC(=O)CC1(O)CCC1)[C@@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575270293 949581459 /nfs/dbraw/zinc/58/14/59/949581459.db2.gz ZEMXZUNRFVDTPX-HTQZYQBOSA-N -1 1 385.881 1.587 20 0 GDADMM C[C@@H](CNC(=O)[C@H]1C[C@H]2C[C@H]2C1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574956724 949585696 /nfs/dbraw/zinc/58/56/96/949585696.db2.gz MMMMBYXJINCLEW-AXTSPUMRSA-N -1 1 381.893 1.964 20 0 GDADMM C[C@@H](CNC(=O)[C@H]1C[C@H]2C[C@H]2C1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574956724 949585711 /nfs/dbraw/zinc/58/57/11/949585711.db2.gz MMMMBYXJINCLEW-AXTSPUMRSA-N -1 1 381.893 1.964 20 0 GDADMM C[C@@H](NC(=O)CCC(F)F)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575270316 949586432 /nfs/dbraw/zinc/58/64/32/949586432.db2.gz ZGZRWQMRYYBTOW-GHMZBOCLSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](NC(=O)CCC(F)F)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575270316 949586454 /nfs/dbraw/zinc/58/64/54/949586454.db2.gz ZGZRWQMRYYBTOW-GHMZBOCLSA-N -1 1 380.403 1.423 20 0 GDADMM CC(C)CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1c1ccccc1 ZINC001574126076 949599668 /nfs/dbraw/zinc/59/96/68/949599668.db2.gz YYHBTXBWTMZDQX-DOTOQJQBSA-N -1 1 392.467 1.791 20 0 GDADMM CC(C)CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1c1ccccc1 ZINC001574126076 949599677 /nfs/dbraw/zinc/59/96/77/949599677.db2.gz YYHBTXBWTMZDQX-DOTOQJQBSA-N -1 1 392.467 1.791 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2C=CC=CC=C2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576167097 949600576 /nfs/dbraw/zinc/60/05/76/949600576.db2.gz OTBCAXJAXXPUKL-GDBMZVCRSA-N -1 1 392.467 1.994 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2C=CC=CC=C2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576167097 949600591 /nfs/dbraw/zinc/60/05/91/949600591.db2.gz OTBCAXJAXXPUKL-GDBMZVCRSA-N -1 1 392.467 1.994 20 0 GDADMM C[C@@H](CNC(=O)[C@H](C)Cc1ccccc1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574957644 949624501 /nfs/dbraw/zinc/62/45/01/949624501.db2.gz DKAPOZXINWOTGS-ZIAGYGMSSA-N -1 1 380.456 1.700 20 0 GDADMM C[C@@H](CNC(=O)[C@H](C)Cc1ccccc1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574957644 949624514 /nfs/dbraw/zinc/62/45/14/949624514.db2.gz DKAPOZXINWOTGS-ZIAGYGMSSA-N -1 1 380.456 1.700 20 0 GDADMM C[C@@H](NC(=O)CCCc1ccsc1)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575271653 949625751 /nfs/dbraw/zinc/62/57/51/949625751.db2.gz LQXPCBYBVZVLKJ-NWDGAFQWSA-N -1 1 386.485 1.468 20 0 GDADMM C[C@@H]1CCCC[C@H]1OCC(=O)NCC=CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576168571 949645293 /nfs/dbraw/zinc/64/52/93/949645293.db2.gz VJZQMJBDGQECSM-HAAFXLEYSA-N -1 1 386.460 1.336 20 0 GDADMM C[C@@H]1CCCC[C@H]1OCC(=O)NCC=CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576168571 949645304 /nfs/dbraw/zinc/64/53/04/949645304.db2.gz VJZQMJBDGQECSM-HAAFXLEYSA-N -1 1 386.460 1.336 20 0 GDADMM C[C@H]1CCCN(C(=O)C2C=CC=CC=C2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576168787 949648187 /nfs/dbraw/zinc/64/81/87/949648187.db2.gz WBHSPFRFECCKER-WMLDXEAASA-N -1 1 392.467 1.994 20 0 GDADMM C[C@H]1CCCN(C(=O)C2C=CC=CC=C2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576168787 949648195 /nfs/dbraw/zinc/64/81/95/949648195.db2.gz WBHSPFRFECCKER-WMLDXEAASA-N -1 1 392.467 1.994 20 0 GDADMM CC(C)CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1 ZINC001574131244 949653916 /nfs/dbraw/zinc/65/39/16/949653916.db2.gz CAWWOHUFSMIUJP-SNPRPXQTSA-N -1 1 384.488 1.955 20 0 GDADMM CC(C)CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1 ZINC001574131244 949653924 /nfs/dbraw/zinc/65/39/24/949653924.db2.gz CAWWOHUFSMIUJP-SNPRPXQTSA-N -1 1 384.488 1.955 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC(C)(C)O)[C@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001576168868 949654830 /nfs/dbraw/zinc/65/48/30/949654830.db2.gz WHUKUBSKRHOTTA-OCCSQVGLSA-N -1 1 388.476 1.247 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC(C)(C)O)[C@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001576168868 949654845 /nfs/dbraw/zinc/65/48/45/949654845.db2.gz WHUKUBSKRHOTTA-OCCSQVGLSA-N -1 1 388.476 1.247 20 0 GDADMM C[C@H](NC(=O)CCC1CCC1)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575273595 949667790 /nfs/dbraw/zinc/66/77/90/949667790.db2.gz XGEUHPQKCOWXOC-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](NC(=O)CCC1CCC1)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575273595 949667802 /nfs/dbraw/zinc/66/78/02/949667802.db2.gz XGEUHPQKCOWXOC-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1(F)CCCCC1 ZINC001573816183 949669261 /nfs/dbraw/zinc/66/92/61/949669261.db2.gz PMPXIWBNJULPTO-LBPRGKRZSA-N -1 1 390.467 1.694 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC2(O)CCC2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576169384 949676418 /nfs/dbraw/zinc/67/64/18/949676418.db2.gz XRBRBDDZZNBJAZ-OLZOCXBDSA-N -1 1 386.460 1.001 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC2(O)CCC2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576169384 949676431 /nfs/dbraw/zinc/67/64/31/949676431.db2.gz XRBRBDDZZNBJAZ-OLZOCXBDSA-N -1 1 386.460 1.001 20 0 GDADMM C[C@H](CC(=O)N(C)CCCN(C)c1nccnc1-c1nnn[n-]1)C(F)(F)F ZINC001574477816 949678670 /nfs/dbraw/zinc/67/86/70/949678670.db2.gz VBBVBOMZDPHQJF-SNVBAGLBSA-N -1 1 386.382 1.530 20 0 GDADMM C[C@H](CC(=O)N(C)CCCN(C)c1nccnc1-c1nn[n-]n1)C(F)(F)F ZINC001574477816 949678687 /nfs/dbraw/zinc/67/86/87/949678687.db2.gz VBBVBOMZDPHQJF-SNVBAGLBSA-N -1 1 386.382 1.530 20 0 GDADMM C[C@H](CC(=O)N(C)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001574477806 949681093 /nfs/dbraw/zinc/68/10/93/949681093.db2.gz UUVHQBCGMPBDGS-ZBFHGGJFSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@H](CC(=O)N(C)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574477806 949681107 /nfs/dbraw/zinc/68/11/07/949681107.db2.gz UUVHQBCGMPBDGS-ZBFHGGJFSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@@H](CN(C)C(=O)CC[C@H]1CC(C)(C)CO1)Nc1nccnc1-c1nnn[n-]1 ZINC001574716248 949685637 /nfs/dbraw/zinc/68/56/37/949685637.db2.gz ICWWLWUGVCQRPG-STQMWFEESA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CN(C)C(=O)CC[C@H]1CC(C)(C)CO1)Nc1nccnc1-c1nn[n-]n1 ZINC001574716248 949685655 /nfs/dbraw/zinc/68/56/55/949685655.db2.gz ICWWLWUGVCQRPG-STQMWFEESA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@H](C)c1ccccc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574716390 949692864 /nfs/dbraw/zinc/69/28/64/949692864.db2.gz NWUWOXONKBYHMS-UONOGXRCSA-N -1 1 380.456 1.531 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CCC1CCCC1 ZINC001573817137 949693540 /nfs/dbraw/zinc/69/35/40/949693540.db2.gz XNGLLWURFLDDJI-CQSZACIVSA-N -1 1 386.504 1.992 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccsc1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574958970 949700018 /nfs/dbraw/zinc/70/00/18/949700018.db2.gz OWFHLWMKAFAQDS-KGYLQXTDSA-N -1 1 384.469 1.686 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccsc1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574958970 949700035 /nfs/dbraw/zinc/70/00/35/949700035.db2.gz OWFHLWMKAFAQDS-KGYLQXTDSA-N -1 1 384.469 1.686 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001574133549 949715680 /nfs/dbraw/zinc/71/56/80/949715680.db2.gz FZVBTOYUXKRLRO-SOUVJXGZSA-N -1 1 384.488 1.624 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001574133549 949715699 /nfs/dbraw/zinc/71/56/99/949715699.db2.gz FZVBTOYUXKRLRO-SOUVJXGZSA-N -1 1 384.488 1.624 20 0 GDADMM C[C@@H]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001576170592 949723587 /nfs/dbraw/zinc/72/35/87/949723587.db2.gz MCUYIXBSXXWLPA-KBXIAJHMSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001576170592 949723598 /nfs/dbraw/zinc/72/35/98/949723598.db2.gz MCUYIXBSXXWLPA-KBXIAJHMSA-N -1 1 382.472 1.663 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001574134730 949729773 /nfs/dbraw/zinc/72/97/73/949729773.db2.gz IVTQTXOTVGPKGQ-KFWWJZLASA-N -1 1 384.488 1.624 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001574134730 949729793 /nfs/dbraw/zinc/72/97/93/949729793.db2.gz IVTQTXOTVGPKGQ-KFWWJZLASA-N -1 1 384.488 1.624 20 0 GDADMM C[C@H]1CCCC[C@@H]1C(=O)NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576170773 949738607 /nfs/dbraw/zinc/73/86/07/949738607.db2.gz MVMKWVUJTYTIQG-ZFWWWQNUSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cc1ccsc1 ZINC001573819293 949749692 /nfs/dbraw/zinc/74/96/92/949749692.db2.gz SMWMJFIKEYPKFE-CYBMUJFWSA-N -1 1 386.485 1.904 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cc1ccsc1 ZINC001573819293 949749703 /nfs/dbraw/zinc/74/97/03/949749703.db2.gz SMWMJFIKEYPKFE-CYBMUJFWSA-N -1 1 386.485 1.904 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001574480845 949758223 /nfs/dbraw/zinc/75/82/23/949758223.db2.gz KODTVXLKXGZCLX-KGLIPLIRSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001574480845 949758240 /nfs/dbraw/zinc/75/82/40/949758240.db2.gz KODTVXLKXGZCLX-KGLIPLIRSA-N -1 1 381.444 1.147 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N1CC[C@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574137497 949763705 /nfs/dbraw/zinc/76/37/05/949763705.db2.gz VAONAKGKXRHAOV-AUUYWEPGSA-N -1 1 386.504 1.801 20 0 GDADMM C[C@H]1[C@H](NC(=O)Cc2cccs2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575882374 949766297 /nfs/dbraw/zinc/76/62/97/949766297.db2.gz JRVBXXZYZZJRDO-WCQYABFASA-N -1 1 384.469 1.434 20 0 GDADMM C[C@H]1[C@H](NC(=O)Cc2cccs2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575882374 949766309 /nfs/dbraw/zinc/76/63/09/949766309.db2.gz JRVBXXZYZZJRDO-WCQYABFASA-N -1 1 384.469 1.434 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC001574138175 949781432 /nfs/dbraw/zinc/78/14/32/949781432.db2.gz BIXBYXCSGKDZFD-KGLIPLIRSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC001574138175 949781449 /nfs/dbraw/zinc/78/14/49/949781449.db2.gz BIXBYXCSGKDZFD-KGLIPLIRSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)C[C@H](C)CC(=O)NC[C@@H]1COCCN1c1nccnc1-c1nnn[n-]1 ZINC001574138430 949788959 /nfs/dbraw/zinc/78/89/59/949788959.db2.gz CGOHWNQVPVJQSB-UONOGXRCSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)C[C@H](C)CC(=O)NC[C@@H]1COCCN1c1nccnc1-c1nn[n-]n1 ZINC001574138430 949788974 /nfs/dbraw/zinc/78/89/74/949788974.db2.gz CGOHWNQVPVJQSB-UONOGXRCSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001574138777 949799868 /nfs/dbraw/zinc/79/98/68/949799868.db2.gz GJTBQPPICRKRAL-KGLIPLIRSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001574138777 949799883 /nfs/dbraw/zinc/79/98/83/949799883.db2.gz GJTBQPPICRKRAL-KGLIPLIRSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001574481977 949817041 /nfs/dbraw/zinc/81/70/41/949817041.db2.gz YHQWQJGAWRPTIA-UWVGGRQHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574481977 949817054 /nfs/dbraw/zinc/81/70/54/949817054.db2.gz YHQWQJGAWRPTIA-UWVGGRQHSA-N -1 1 384.366 1.282 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1 ZINC001574139915 949824299 /nfs/dbraw/zinc/82/42/99/949824299.db2.gz LJPTTYWRIMVCHZ-NYTXWWLZSA-N -1 1 384.488 1.955 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1 ZINC001574139915 949824316 /nfs/dbraw/zinc/82/43/16/949824316.db2.gz LJPTTYWRIMVCHZ-NYTXWWLZSA-N -1 1 384.488 1.955 20 0 GDADMM C[C@H]1CCCC[C@H]1CC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576173383 949836382 /nfs/dbraw/zinc/83/63/82/949836382.db2.gz YFDCUCKWDVYWBM-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCCC[C@H]1CC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576173383 949836400 /nfs/dbraw/zinc/83/64/00/949836400.db2.gz YFDCUCKWDVYWBM-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCCC[C@H]1CC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576173384 949838454 /nfs/dbraw/zinc/83/84/54/949838454.db2.gz YFDCUCKWDVYWBM-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCCC[C@H]1CC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576173384 949838474 /nfs/dbraw/zinc/83/84/74/949838474.db2.gz YFDCUCKWDVYWBM-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001576173838 949848520 /nfs/dbraw/zinc/84/85/20/949848520.db2.gz ZGUBDGXUOOQXLN-XQLPTFJDSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001576173838 949848539 /nfs/dbraw/zinc/84/85/39/949848539.db2.gz ZGUBDGXUOOQXLN-XQLPTFJDSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)Cc2ccsc2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575886240 949876662 /nfs/dbraw/zinc/87/66/62/949876662.db2.gz XPGIVXHVKNDTLR-YPMHNXCESA-N -1 1 384.469 1.434 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)Cc2ccsc2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575886240 949876687 /nfs/dbraw/zinc/87/66/87/949876687.db2.gz XPGIVXHVKNDTLR-YPMHNXCESA-N -1 1 384.469 1.434 20 0 GDADMM C[C@@H]1CCCN1c1nnc([C@H]2CCCOC2)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001576178281 949881140 /nfs/dbraw/zinc/88/11/40/949881140.db2.gz HEJACROQDJPADY-OLZOCXBDSA-N -1 1 384.444 1.982 20 0 GDADMM C[C@@H]1CCCN1c1nnc([C@H]2CCCOC2)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001576178281 949881156 /nfs/dbraw/zinc/88/11/56/949881156.db2.gz HEJACROQDJPADY-OLZOCXBDSA-N -1 1 384.444 1.982 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001574484539 949885631 /nfs/dbraw/zinc/88/56/31/949885631.db2.gz JTJFFTYUJRAWIO-NXEZZACHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001574484539 949885648 /nfs/dbraw/zinc/88/56/48/949885648.db2.gz JTJFFTYUJRAWIO-NXEZZACHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1)C(F)(F)F ZINC001574484675 949891523 /nfs/dbraw/zinc/89/15/23/949891523.db2.gz LXDUBVCJHLVPJY-NXEZZACHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1)C(F)(F)F ZINC001574484675 949891539 /nfs/dbraw/zinc/89/15/39/949891539.db2.gz LXDUBVCJHLVPJY-NXEZZACHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cn[nH]c2)[C@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576178684 949897127 /nfs/dbraw/zinc/89/71/27/949897127.db2.gz CKZFLFKZGLKURG-FZMZJTMJSA-N -1 1 382.432 1.123 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cn[nH]c2)[C@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576178684 949897150 /nfs/dbraw/zinc/89/71/50/949897150.db2.gz CKZFLFKZGLKURG-FZMZJTMJSA-N -1 1 382.432 1.123 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1)C(F)(F)F ZINC001574484896 949908841 /nfs/dbraw/zinc/90/88/41/949908841.db2.gz RBCPIMPTGNIMSG-UWVGGRQHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1)C(F)(F)F ZINC001574484896 949908862 /nfs/dbraw/zinc/90/88/62/949908862.db2.gz RBCPIMPTGNIMSG-UWVGGRQHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001574485652 949925073 /nfs/dbraw/zinc/92/50/73/949925073.db2.gz YPHIUIHBECGKBN-NXEZZACHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001574485652 949925090 /nfs/dbraw/zinc/92/50/90/949925090.db2.gz YPHIUIHBECGKBN-NXEZZACHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2cc(Cl)no2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575890422 949950949 /nfs/dbraw/zinc/95/09/49/949950949.db2.gz XNZZUCDBWROURQ-RKDXNWHRSA-N -1 1 389.807 1.085 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2cc(Cl)no2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575890420 949951242 /nfs/dbraw/zinc/95/12/42/949951242.db2.gz XNZZUCDBWROURQ-DTWKUNHWSA-N -1 1 389.807 1.085 20 0 GDADMM CC(C)(C)[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(F)c2)CCO1 ZINC001573829316 949951309 /nfs/dbraw/zinc/95/13/09/949951309.db2.gz YGXQXXOUSNXWNL-CQSZACIVSA-N -1 1 383.449 1.832 20 0 GDADMM C[C@@H](CN(C)C(=O)COc1ccccc1F)Nc1nccnc1-c1nnn[n-]1 ZINC001574727303 949960221 /nfs/dbraw/zinc/96/02/21/949960221.db2.gz RNRMSMHDFUIYEQ-NSHDSACASA-N -1 1 386.391 1.134 20 0 GDADMM C[C@@H](CN(C)C(=O)COc1ccccc1F)Nc1nccnc1-c1nn[n-]n1 ZINC001574727303 949960242 /nfs/dbraw/zinc/96/02/42/949960242.db2.gz RNRMSMHDFUIYEQ-NSHDSACASA-N -1 1 386.391 1.134 20 0 GDADMM C[C@@H](CC(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)c1ccco1 ZINC001574490022 949979071 /nfs/dbraw/zinc/97/90/71/949979071.db2.gz NCWMNVHPMOYDCH-WCQYABFASA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](CC(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)c1ccco1 ZINC001574490022 949979093 /nfs/dbraw/zinc/97/90/93/949979093.db2.gz NCWMNVHPMOYDCH-WCQYABFASA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1cc(C2CC2)no1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574729009 950014903 /nfs/dbraw/zinc/01/49/03/950014903.db2.gz MNTCDMKLWWNFCO-JTQLQIEISA-N -1 1 383.416 1.024 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1cc(C2CC2)no1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574729009 950014928 /nfs/dbraw/zinc/01/49/28/950014928.db2.gz MNTCDMKLWWNFCO-JTQLQIEISA-N -1 1 383.416 1.024 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1)CC(C)(C)C ZINC001574490762 950018832 /nfs/dbraw/zinc/01/88/32/950018832.db2.gz YHLSSVXJXOAHPS-RDBSUJKOSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@@H]1CCN(C(=O)CCC(F)F)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576182040 950035348 /nfs/dbraw/zinc/03/53/48/950035348.db2.gz KQOIOYVWKHNIBM-GHMZBOCLSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H]1CCN(C(=O)CCC(F)F)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576182040 950035371 /nfs/dbraw/zinc/03/53/71/950035371.db2.gz KQOIOYVWKHNIBM-GHMZBOCLSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ccc2c[nH]nc2c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574730944 950040805 /nfs/dbraw/zinc/04/08/05/950040805.db2.gz TXWGYTUPLMYYNS-LLVKDONJSA-N -1 1 392.427 1.035 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ccc2c[nH]nc2c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574730944 950040824 /nfs/dbraw/zinc/04/08/24/950040824.db2.gz TXWGYTUPLMYYNS-LLVKDONJSA-N -1 1 392.427 1.035 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2ccc(F)s2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575892070 950047269 /nfs/dbraw/zinc/04/72/69/950047269.db2.gz REUPOLBNSVQZQY-UWVGGRQHSA-N -1 1 388.432 1.645 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2ccc(F)s2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575892070 950047291 /nfs/dbraw/zinc/04/72/91/950047291.db2.gz REUPOLBNSVQZQY-UWVGGRQHSA-N -1 1 388.432 1.645 20 0 GDADMM CC(C)(C)CC(=O)N[C@@H]1CC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@H]2C1 ZINC001573835394 950054005 /nfs/dbraw/zinc/05/40/05/950054005.db2.gz WQTPUUSCCCQZMH-MELADBBJSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H]1CCN(C(=O)C2CC3(CC3)C2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576182939 950068527 /nfs/dbraw/zinc/06/85/27/950068527.db2.gz OCJJZLKAAWBAJB-GXTWGEPZSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@H]1CCN(C(=O)C2CC3(CC3)C2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576182939 950068548 /nfs/dbraw/zinc/06/85/48/950068548.db2.gz OCJJZLKAAWBAJB-GXTWGEPZSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccccn2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576183026 950074744 /nfs/dbraw/zinc/07/47/44/950074744.db2.gz QJQOOAQGCNYGIS-IUODEOHRSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccccn2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576183026 950074766 /nfs/dbraw/zinc/07/47/66/950074766.db2.gz QJQOOAQGCNYGIS-IUODEOHRSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ncc[nH]1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574732988 950084092 /nfs/dbraw/zinc/08/40/92/950084092.db2.gz ORBNZUQPVFICEQ-SSDOTTSWSA-N -1 1 381.853 1.201 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nn[nH]n2)cn1)NC(=O)c1ncccc1[O-] ZINC001574152886 950121573 /nfs/dbraw/zinc/12/15/73/950121573.db2.gz LGJVZIBUZOMNEG-ZDUSSCGKSA-N -1 1 382.428 1.619 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cccnc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574734194 950126323 /nfs/dbraw/zinc/12/63/23/950126323.db2.gz KOUQPVWRIQGLBS-FPMFFAJLSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cccnc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574734194 950126334 /nfs/dbraw/zinc/12/63/34/950126334.db2.gz KOUQPVWRIQGLBS-FPMFFAJLSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@H]1CCN(C(=O)CC(C)(F)F)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576184896 950146331 /nfs/dbraw/zinc/14/63/31/950146331.db2.gz XTRPWJRBFGPNHB-QWRGUYRKSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H]1CCN(C(=O)CC(C)(F)F)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576184896 950146356 /nfs/dbraw/zinc/14/63/56/950146356.db2.gz XTRPWJRBFGPNHB-QWRGUYRKSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H](CC(=O)NC1CC(CNc2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001574494021 950151694 /nfs/dbraw/zinc/15/16/94/950151694.db2.gz WSMZBFMNVNHGLW-IYXRBSQSSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](CC(=O)NC1CC(CNc2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001574494021 950151715 /nfs/dbraw/zinc/15/17/15/950151715.db2.gz WSMZBFMNVNHGLW-IYXRBSQSSA-N -1 1 381.444 1.416 20 0 GDADMM CC(C)(C)CC[C@@H](NC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1)C(N)=O ZINC001573843047 950165060 /nfs/dbraw/zinc/16/50/60/950165060.db2.gz POPGBCWAOJXIBJ-ZCFIWIBFSA-N -1 1 386.869 1.778 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CC[C@@H]1CCOC1 ZINC001574155017 950182946 /nfs/dbraw/zinc/18/29/46/950182946.db2.gz IABSTRGIYMLRDC-KGLIPLIRSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CC[C@@H]1CCOC1 ZINC001574155017 950182958 /nfs/dbraw/zinc/18/29/58/950182958.db2.gz IABSTRGIYMLRDC-KGLIPLIRSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C1(C)CCOCC1 ZINC001574155029 950184506 /nfs/dbraw/zinc/18/45/06/950184506.db2.gz ICOVYJQHHVCKKY-ZDUSSCGKSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C1(C)CCOCC1 ZINC001574155029 950184522 /nfs/dbraw/zinc/18/45/22/950184522.db2.gz ICOVYJQHHVCKKY-ZDUSSCGKSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccns2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576191463 950201652 /nfs/dbraw/zinc/20/16/52/950201652.db2.gz GOTSMTSTCUZQQD-MNOVXSKESA-N -1 1 385.457 1.324 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccns2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576191463 950201666 /nfs/dbraw/zinc/20/16/66/950201666.db2.gz GOTSMTSTCUZQQD-MNOVXSKESA-N -1 1 385.457 1.324 20 0 GDADMM CC1(C(=O)NC[C@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)CC(F)(F)C1 ZINC001575585648 950204202 /nfs/dbraw/zinc/20/42/02/950204202.db2.gz BTJDNNLYDJEVCH-SNVBAGLBSA-N -1 1 378.387 1.177 20 0 GDADMM CC1(C(=O)NC[C@H]2CCCN2c2cncc(-c3nn[n-]n3)n2)CC(F)(F)C1 ZINC001575585648 950204221 /nfs/dbraw/zinc/20/42/21/950204221.db2.gz BTJDNNLYDJEVCH-SNVBAGLBSA-N -1 1 378.387 1.177 20 0 GDADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCC1(F)F ZINC001574155576 950204177 /nfs/dbraw/zinc/20/41/77/950204177.db2.gz OFIZGVBVYHLHNU-QWRGUYRKSA-N -1 1 380.403 1.067 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H](C)C(C)(F)F ZINC001574155688 950207090 /nfs/dbraw/zinc/20/70/90/950207090.db2.gz QFGHQELBDYGYEF-GHMZBOCLSA-N -1 1 382.419 1.891 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H](C)C(C)(F)F ZINC001574155688 950207097 /nfs/dbraw/zinc/20/70/97/950207097.db2.gz QFGHQELBDYGYEF-GHMZBOCLSA-N -1 1 382.419 1.891 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)COC1CCCC1 ZINC001574155977 950215643 /nfs/dbraw/zinc/21/56/43/950215643.db2.gz SRTJBPMLKNGVAT-ZDUSSCGKSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)COC1CCCC1 ZINC001574155977 950215662 /nfs/dbraw/zinc/21/56/62/950215662.db2.gz SRTJBPMLKNGVAT-ZDUSSCGKSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1C[C@@H]1c1ccccc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574739979 950219012 /nfs/dbraw/zinc/21/90/12/950219012.db2.gz AOJWGBCZUUSLDZ-YUELXQCFSA-N -1 1 378.440 1.719 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1C[C@@H]1c1ccccc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574739979 950219027 /nfs/dbraw/zinc/21/90/27/950219027.db2.gz AOJWGBCZUUSLDZ-YUELXQCFSA-N -1 1 378.440 1.719 20 0 GDADMM C[C@H](CC(=O)NC[C@H](CO)Nc1snc(Cl)c1-c1nnn[n-]1)C1CC1 ZINC001574496993 950222211 /nfs/dbraw/zinc/22/22/11/950222211.db2.gz YBBMRBVHJQEMMR-VXNVDRBHSA-N -1 1 385.881 1.302 20 0 GDADMM C[C@H](CC(=O)NC[C@H](CO)Nc1snc(Cl)c1-c1nn[n-]n1)C1CC1 ZINC001574496993 950222225 /nfs/dbraw/zinc/22/22/25/950222225.db2.gz YBBMRBVHJQEMMR-VXNVDRBHSA-N -1 1 385.881 1.302 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1C[C@@H]1c1ccccc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574740274 950224442 /nfs/dbraw/zinc/22/44/42/950224442.db2.gz DMIHKJBETUKRBW-CFVMTHIKSA-N -1 1 378.440 1.719 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1C[C@@H]1c1ccccc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574740274 950224457 /nfs/dbraw/zinc/22/44/57/950224457.db2.gz DMIHKJBETUKRBW-CFVMTHIKSA-N -1 1 378.440 1.719 20 0 GDADMM C[C@H](CC(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1)c1cnn(C)c1 ZINC001574497286 950228660 /nfs/dbraw/zinc/22/86/60/950228660.db2.gz ZBYGEAKYRAFRNR-LLVKDONJSA-N -1 1 386.485 1.156 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H](C)c1ccco1 ZINC001574156231 950232674 /nfs/dbraw/zinc/23/26/74/950232674.db2.gz ZGYZZCNKNVVDLX-OLZOCXBDSA-N -1 1 384.444 1.996 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H](C)c1ccco1 ZINC001574156231 950232691 /nfs/dbraw/zinc/23/26/91/950232691.db2.gz ZGYZZCNKNVVDLX-OLZOCXBDSA-N -1 1 384.444 1.996 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccccc2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576192361 950241257 /nfs/dbraw/zinc/24/12/57/950241257.db2.gz NLXQYFFJFKGFLW-HIFRSBDPSA-N -1 1 378.440 1.867 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccccc2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576192361 950241271 /nfs/dbraw/zinc/24/12/71/950241271.db2.gz NLXQYFFJFKGFLW-HIFRSBDPSA-N -1 1 378.440 1.867 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](O)CNc1cncc(-c2nnn[n-]2)n1)CC(C)(C)C ZINC001574497912 950250315 /nfs/dbraw/zinc/25/03/15/950250315.db2.gz GGSPISOSWHPOQP-NWDGAFQWSA-N -1 1 376.465 1.008 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](O)CNc1cncc(-c2nn[n-]n2)n1)CC(C)(C)C ZINC001574497912 950250333 /nfs/dbraw/zinc/25/03/33/950250333.db2.gz GGSPISOSWHPOQP-NWDGAFQWSA-N -1 1 376.465 1.008 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cc(F)c[nH]2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576193442 950300859 /nfs/dbraw/zinc/30/08/59/950300859.db2.gz UXGYPJIAURGSOE-MNOVXSKESA-N -1 1 385.407 1.334 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cc(F)c[nH]2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576193442 950300880 /nfs/dbraw/zinc/30/08/80/950300880.db2.gz UXGYPJIAURGSOE-MNOVXSKESA-N -1 1 385.407 1.334 20 0 GDADMM CC1(C(=O)NCCC2(CNc3ccc(-c4nnn[n-]4)nn3)CC2)CC(F)(F)C1 ZINC001575593512 950319825 /nfs/dbraw/zinc/31/98/25/950319825.db2.gz GTZJCIPGPUZRGA-UHFFFAOYSA-N -1 1 392.414 1.791 20 0 GDADMM CC1(C(=O)NCCC2(CNc3ccc(-c4nn[n-]n4)nn3)CC2)CC(F)(F)C1 ZINC001575593512 950319848 /nfs/dbraw/zinc/31/98/48/950319848.db2.gz GTZJCIPGPUZRGA-UHFFFAOYSA-N -1 1 392.414 1.791 20 0 GDADMM CC(C)(C)OC(=O)N1CC=C(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001573853480 950323639 /nfs/dbraw/zinc/32/36/39/950323639.db2.gz PZPQSKAALKFQTI-UHFFFAOYSA-N -1 1 385.428 1.445 20 0 GDADMM CC(C)(C)OC(=O)N1CC=C(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001573853480 950323663 /nfs/dbraw/zinc/32/36/63/950323663.db2.gz PZPQSKAALKFQTI-UHFFFAOYSA-N -1 1 385.428 1.445 20 0 GDADMM CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001573854662 950343735 /nfs/dbraw/zinc/34/37/35/950343735.db2.gz AIIONRYJVKIUGZ-NSHDSACASA-N -1 1 377.474 1.517 20 0 GDADMM C[C@]1(C(=O)NC[C@@H]2CN(Cc3ccc(-c4nn[n-]n4)s3)CCO2)C=CCC1 ZINC001575595070 950348300 /nfs/dbraw/zinc/34/83/00/950348300.db2.gz MVSNTSQGPWXHTA-ACJLOTCBSA-N -1 1 388.497 1.602 20 0 GDADMM CC1(C(=O)NCC[C@@H](Cc2ccccc2)Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575596632 950381523 /nfs/dbraw/zinc/38/15/23/950381523.db2.gz UFDKUHZVBUYQKT-HNNXBMFYSA-N -1 1 392.467 1.986 20 0 GDADMM CC1(C(=O)NCC[C@@H](Cc2ccccc2)Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575596632 950381547 /nfs/dbraw/zinc/38/15/47/950381547.db2.gz UFDKUHZVBUYQKT-HNNXBMFYSA-N -1 1 392.467 1.986 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C1CCC(O)CC1 ZINC001574162521 950383332 /nfs/dbraw/zinc/38/33/32/950383332.db2.gz CFSXSEJCWBAWAN-MOKVOYLWSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C1CCC(O)CC1 ZINC001574162521 950383350 /nfs/dbraw/zinc/38/33/50/950383350.db2.gz CFSXSEJCWBAWAN-MOKVOYLWSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3coc(-c4nnn[n-]4)c3)C[C@]2(C)C1 ZINC001573857055 950396966 /nfs/dbraw/zinc/39/69/66/950396966.db2.gz MBYSFRBWHXXDQB-KPZWWZAWSA-N -1 1 388.428 1.789 20 0 GDADMM CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)c3coc(-c4nn[n-]n4)c3)C[C@]2(C)C1 ZINC001573857055 950396983 /nfs/dbraw/zinc/39/69/83/950396983.db2.gz MBYSFRBWHXXDQB-KPZWWZAWSA-N -1 1 388.428 1.789 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cncc(F)c1 ZINC001574162906 950408519 /nfs/dbraw/zinc/40/85/19/950408519.db2.gz MJVIRTZFESNCMV-CYBMUJFWSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cncc(F)c1 ZINC001574162906 950408536 /nfs/dbraw/zinc/40/85/36/950408536.db2.gz MJVIRTZFESNCMV-CYBMUJFWSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CCc1ccon1 ZINC001574163324 950422192 /nfs/dbraw/zinc/42/21/92/950422192.db2.gz RUNPZIAXQFJYON-ZDUSSCGKSA-N -1 1 385.432 1.220 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CCc1ccon1 ZINC001574163324 950422211 /nfs/dbraw/zinc/42/22/11/950422211.db2.gz RUNPZIAXQFJYON-ZDUSSCGKSA-N -1 1 385.432 1.220 20 0 GDADMM CC(C)(C)OC(=O)NC1(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)CCCC1 ZINC001573860671 950426818 /nfs/dbraw/zinc/42/68/18/950426818.db2.gz LRTYSBGNXTVNQP-UHFFFAOYSA-N -1 1 387.444 1.715 20 0 GDADMM CC(C)(C)OC(=O)NC1(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)CCCC1 ZINC001573860671 950426834 /nfs/dbraw/zinc/42/68/34/950426834.db2.gz LRTYSBGNXTVNQP-UHFFFAOYSA-N -1 1 387.444 1.715 20 0 GDADMM CC(C)(C)OC(=O)NCC[C@H](NC(=O)c1coc(-c2nnn[n-]2)c1)C(F)F ZINC001573860646 950427811 /nfs/dbraw/zinc/42/78/11/950427811.db2.gz KORDPHPAFBOCAQ-VIFPVBQESA-N -1 1 386.359 1.738 20 0 GDADMM CC(C)(C)OC(=O)NCC[C@H](NC(=O)c1coc(-c2nn[n-]n2)c1)C(F)F ZINC001573860646 950427822 /nfs/dbraw/zinc/42/78/22/950427822.db2.gz KORDPHPAFBOCAQ-VIFPVBQESA-N -1 1 386.359 1.738 20 0 GDADMM C[C@@H](CC(=O)NCc1ccnc(-c2nnn[n-]2)c1)n1cc(Br)cn1 ZINC001574506095 950428690 /nfs/dbraw/zinc/42/86/90/950428690.db2.gz BESUQTGHOWQTCF-VIFPVBQESA-N -1 1 391.233 1.488 20 0 GDADMM C[C@@H](CC(=O)NCc1ccnc(-c2nn[n-]n2)c1)n1cc(Br)cn1 ZINC001574506095 950428703 /nfs/dbraw/zinc/42/87/03/950428703.db2.gz BESUQTGHOWQTCF-VIFPVBQESA-N -1 1 391.233 1.488 20 0 GDADMM CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)NCc2nc(-c3nnn[n-]3)cs2)C1 ZINC001573861009 950437379 /nfs/dbraw/zinc/43/73/79/950437379.db2.gz OTHRHOJUQPZCOM-JTQLQIEISA-N -1 1 391.457 1.553 20 0 GDADMM CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)NCc2nc(-c3nn[n-]n3)cs2)C1 ZINC001573861009 950437400 /nfs/dbraw/zinc/43/74/00/950437400.db2.gz OTHRHOJUQPZCOM-JTQLQIEISA-N -1 1 391.457 1.553 20 0 GDADMM CC(C)CC1(C(=O)N(C)C[C@@H](O)CNc2cnc(-c3nnn[n-]3)cn2)CCC1 ZINC001574163849 950439911 /nfs/dbraw/zinc/43/99/11/950439911.db2.gz ZNOAWFGIROINGZ-ZDUSSCGKSA-N -1 1 388.476 1.104 20 0 GDADMM CC(C)CC1(C(=O)N(C)C[C@@H](O)CNc2cnc(-c3nn[n-]n3)cn2)CCC1 ZINC001574163849 950439926 /nfs/dbraw/zinc/43/99/26/950439926.db2.gz ZNOAWFGIROINGZ-ZDUSSCGKSA-N -1 1 388.476 1.104 20 0 GDADMM CC1(C(=O)N[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2c2ccccc2)CC1 ZINC001575604438 950440584 /nfs/dbraw/zinc/44/05/84/950440584.db2.gz ACZRUAZBBYZMLQ-LSDHHAIUSA-N -1 1 390.451 1.545 20 0 GDADMM CC1(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2c2ccccc2)CC1 ZINC001575604438 950440602 /nfs/dbraw/zinc/44/06/02/950440602.db2.gz ACZRUAZBBYZMLQ-LSDHHAIUSA-N -1 1 390.451 1.545 20 0 GDADMM C[C@@]1(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)CCCN1C(=O)c1ccccc1 ZINC001575600473 950442110 /nfs/dbraw/zinc/44/21/10/950442110.db2.gz YTUZUDQQVWQQHW-FQEVSTJZSA-N -1 1 391.435 1.573 20 0 GDADMM C[C@@]1(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)CCCN1C(=O)c1ccccc1 ZINC001575600473 950442119 /nfs/dbraw/zinc/44/21/19/950442119.db2.gz YTUZUDQQVWQQHW-FQEVSTJZSA-N -1 1 391.435 1.573 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)o2)CC[C@H]1F ZINC001573862121 950457268 /nfs/dbraw/zinc/45/72/68/950457268.db2.gz NJDOMQCUVMXZGI-NXEZZACHSA-N -1 1 380.380 1.537 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)o2)CC[C@H]1F ZINC001573862121 950457280 /nfs/dbraw/zinc/45/72/80/950457280.db2.gz NJDOMQCUVMXZGI-NXEZZACHSA-N -1 1 380.380 1.537 20 0 GDADMM C[C@@H](CC(=O)NCCN(C)c1nccnc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001574507596 950458389 /nfs/dbraw/zinc/45/83/89/950458389.db2.gz GCXPWEPGEVFENK-LBPRGKRZSA-N -1 1 384.419 1.542 20 0 GDADMM C[C@@H](CC(=O)NCCN(C)c1nccnc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001574507596 950458402 /nfs/dbraw/zinc/45/84/02/950458402.db2.gz GCXPWEPGEVFENK-LBPRGKRZSA-N -1 1 384.419 1.542 20 0 GDADMM CC(C)(C)OC(=O)Nc1cnc(CNCc2nc(-c3nnn[n-]3)cs2)cn1 ZINC001573862249 950463275 /nfs/dbraw/zinc/46/32/75/950463275.db2.gz RCUMRUVUJDBIEW-UHFFFAOYSA-N -1 1 389.445 1.750 20 0 GDADMM CC(C)(C)OC(=O)Nc1cnc(CNCc2nc(-c3nn[n-]n3)cs2)cn1 ZINC001573862249 950463286 /nfs/dbraw/zinc/46/32/86/950463286.db2.gz RCUMRUVUJDBIEW-UHFFFAOYSA-N -1 1 389.445 1.750 20 0 GDADMM C[C@H](CC(=O)N[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1)c1ccc(F)cc1 ZINC001574507943 950464107 /nfs/dbraw/zinc/46/41/07/950464107.db2.gz LCMFHTCDORLAMA-NEPJUHHUSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H](CC(=O)N[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1)c1ccc(F)cc1 ZINC001574507943 950464129 /nfs/dbraw/zinc/46/41/29/950464129.db2.gz LCMFHTCDORLAMA-NEPJUHHUSA-N -1 1 384.419 1.906 20 0 GDADMM CC(C)CC1(C(=O)NC[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CCC1 ZINC001574166450 950468256 /nfs/dbraw/zinc/46/82/56/950468256.db2.gz SKEFCXOTWGAXEH-CQSZACIVSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)CC1(C(=O)NC[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CCC1 ZINC001574166450 950468271 /nfs/dbraw/zinc/46/82/71/950468271.db2.gz SKEFCXOTWGAXEH-CQSZACIVSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@]1(C(=O)N[C@H]2CC[C@H](CNc3nccnc3-c3nnn[n-]3)CC2)CCOC1 ZINC001575605586 950473336 /nfs/dbraw/zinc/47/33/36/950473336.db2.gz NKVXZQDCUDUQDF-SNUQEOBHSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@]1(C(=O)N[C@H]2CC[C@H](CNc3nccnc3-c3nn[n-]n3)CC2)CCOC1 ZINC001575605586 950473351 /nfs/dbraw/zinc/47/33/51/950473351.db2.gz NKVXZQDCUDUQDF-SNUQEOBHSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@H](CC(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1)c1ccc(F)cc1 ZINC001574508151 950473707 /nfs/dbraw/zinc/47/37/07/950473707.db2.gz JQBYCFDFYHHQHD-GFCCVEGCSA-N -1 1 384.419 1.542 20 0 GDADMM C[C@H](CC(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1)c1ccc(F)cc1 ZINC001574508151 950473721 /nfs/dbraw/zinc/47/37/21/950473721.db2.gz JQBYCFDFYHHQHD-GFCCVEGCSA-N -1 1 384.419 1.542 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc2c(c1)CCO2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574753293 950516270 /nfs/dbraw/zinc/51/62/70/950516270.db2.gz KQCZXSDHZGTIDR-NSHDSACASA-N -1 1 380.412 1.164 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc2c(c1)CCO2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574753293 950516290 /nfs/dbraw/zinc/51/62/90/950516290.db2.gz KQCZXSDHZGTIDR-NSHDSACASA-N -1 1 380.412 1.164 20 0 GDADMM CC(C)(C)OCC(=O)N1CCC[C@@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573866926 950516679 /nfs/dbraw/zinc/51/66/79/950516679.db2.gz NSJRPYAGVWJRGT-ZDUSSCGKSA-N -1 1 388.476 1.512 20 0 GDADMM CC(C)(C)OCC(=O)N1CCC[C@@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573866926 950516707 /nfs/dbraw/zinc/51/67/07/950516707.db2.gz NSJRPYAGVWJRGT-ZDUSSCGKSA-N -1 1 388.476 1.512 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1cccs1 ZINC001575915802 950518046 /nfs/dbraw/zinc/51/80/46/950518046.db2.gz ORZHDJPPAACUKU-DGCLKSJQSA-N -1 1 384.469 1.752 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCc1cccs1 ZINC001575915802 950518067 /nfs/dbraw/zinc/51/80/67/950518067.db2.gz ORZHDJPPAACUKU-DGCLKSJQSA-N -1 1 384.469 1.752 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)COCC1CCCC1 ZINC001575916183 950535136 /nfs/dbraw/zinc/53/51/36/950535136.db2.gz PQCFQIVPASNQFJ-JSGCOSHPSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)COCC1CCCC1 ZINC001575916183 950535157 /nfs/dbraw/zinc/53/51/57/950535157.db2.gz PQCFQIVPASNQFJ-JSGCOSHPSA-N -1 1 386.460 1.265 20 0 GDADMM CC(C)(C)OCC(=O)N[C@]12CCC[C@@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001573868880 950547815 /nfs/dbraw/zinc/54/78/15/950547815.db2.gz HBORWRPAIIJTGF-UGSOOPFHSA-N -1 1 386.460 1.089 20 0 GDADMM CC(C)(C)OCC(=O)N[C@]12CCC[C@@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001573868880 950547830 /nfs/dbraw/zinc/54/78/30/950547830.db2.gz HBORWRPAIIJTGF-UGSOOPFHSA-N -1 1 386.460 1.089 20 0 GDADMM CC1(C(=O)N[C@@H]2[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]32)CCCCCC1 ZINC001575615028 950565734 /nfs/dbraw/zinc/56/57/34/950565734.db2.gz ZXUQDNTYINTLON-WDNDVIMCSA-N -1 1 382.472 1.568 20 0 GDADMM CC1(C(=O)N[C@@H]2[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]32)CCCCCC1 ZINC001575615028 950565742 /nfs/dbraw/zinc/56/57/42/950565742.db2.gz ZXUQDNTYINTLON-WDNDVIMCSA-N -1 1 382.472 1.568 20 0 GDADMM CC1(C)C(C(=O)NCC[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1(C)C ZINC001575615574 950567370 /nfs/dbraw/zinc/56/73/70/950567370.db2.gz BMBDTRDWXXBLFR-LBPRGKRZSA-N -1 1 384.488 1.672 20 0 GDADMM CC1(C)C(C(=O)NCC[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1(C)C ZINC001575615574 950567391 /nfs/dbraw/zinc/56/73/91/950567391.db2.gz BMBDTRDWXXBLFR-LBPRGKRZSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@@H](C)c1cccc(F)c1 ZINC001574512856 950589659 /nfs/dbraw/zinc/58/96/59/950589659.db2.gz DSODYSMWCRHILT-VXGBXAGGSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@@H](C)c1cccc(F)c1 ZINC001574512856 950589676 /nfs/dbraw/zinc/58/96/76/950589676.db2.gz DSODYSMWCRHILT-VXGBXAGGSA-N -1 1 384.419 1.906 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1 ZINC001575616900 950592218 /nfs/dbraw/zinc/59/22/18/950592218.db2.gz TVICVYOQNCPJLE-RYUDHWBXSA-N -1 1 382.472 1.519 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C[C@@H](C)c1ccc(F)cc1 ZINC001574513483 950610850 /nfs/dbraw/zinc/61/08/50/950610850.db2.gz QKAYXZNRARBBKG-VXGBXAGGSA-N -1 1 384.419 1.328 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccnc(C2CC2)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574758551 950614420 /nfs/dbraw/zinc/61/44/20/950614420.db2.gz CZTWHTSSPZZXBK-LLVKDONJSA-N -1 1 379.428 1.502 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccnc(C2CC2)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574758551 950614436 /nfs/dbraw/zinc/61/44/36/950614436.db2.gz CZTWHTSSPZZXBK-LLVKDONJSA-N -1 1 379.428 1.502 20 0 GDADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)C1CCC(C)(C)CC1 ZINC001575920276 950633129 /nfs/dbraw/zinc/63/31/29/950633129.db2.gz MDSMKFHKHSXPIK-GXTWGEPZSA-N -1 1 384.488 1.696 20 0 GDADMM CC1(C)C(C(=O)NC[C@H]2CCCCN2c2cnc(-c3nnn[n-]3)cn2)C1(C)C ZINC001575620755 950635523 /nfs/dbraw/zinc/63/55/23/950635523.db2.gz YYEJSLLHYZCJAF-GFCCVEGCSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C(C(=O)NC[C@H]2CCCCN2c2cnc(-c3nn[n-]n3)cn2)C1(C)C ZINC001575620755 950635539 /nfs/dbraw/zinc/63/55/39/950635539.db2.gz YYEJSLLHYZCJAF-GFCCVEGCSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)cc(Cl)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575001942 950644582 /nfs/dbraw/zinc/64/45/82/950644582.db2.gz PUCFKKPWTXBYNO-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)cc(Cl)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575001942 950644592 /nfs/dbraw/zinc/64/45/92/950644592.db2.gz PUCFKKPWTXBYNO-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CNC(=O)c1cc2c(s1)CCC2)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575003132 950672522 /nfs/dbraw/zinc/67/25/22/950672522.db2.gz YFWACVZEQCQSTO-JTQLQIEISA-N -1 1 384.469 1.685 20 0 GDADMM C[C@H](CNC(=O)c1cc2c(s1)CCC2)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575003132 950672539 /nfs/dbraw/zinc/67/25/39/950672539.db2.gz YFWACVZEQCQSTO-JTQLQIEISA-N -1 1 384.469 1.685 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CCC(CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001573876519 950675515 /nfs/dbraw/zinc/67/55/15/950675515.db2.gz OWAYRCZNTVVLPN-ZIAGYGMSSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CCC(CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001573876519 950675534 /nfs/dbraw/zinc/67/55/34/950675534.db2.gz OWAYRCZNTVVLPN-ZIAGYGMSSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H](CNC(=O)c1cc2n(c1)CCCC2)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575005553 950687787 /nfs/dbraw/zinc/68/77/87/950687787.db2.gz HQNYQPPJPUIXDC-LBPRGKRZSA-N -1 1 381.444 1.049 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001575625601 950690345 /nfs/dbraw/zinc/69/03/45/950690345.db2.gz SLAWUSABTPIHSK-GDNZZTSVSA-N -1 1 382.472 1.280 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001575625601 950690359 /nfs/dbraw/zinc/69/03/59/950690359.db2.gz SLAWUSABTPIHSK-GDNZZTSVSA-N -1 1 382.472 1.280 20 0 GDADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cscc1Cl ZINC001575925878 950697898 /nfs/dbraw/zinc/69/78/98/950697898.db2.gz VTUWICCFEQLRDQ-KWQFWETISA-N -1 1 390.860 1.509 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccoc1C1CC1 ZINC001575926639 950718199 /nfs/dbraw/zinc/71/81/99/950718199.db2.gz KVNFBEBOSMWQKM-GWCFXTLKSA-N -1 1 380.412 1.842 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccoc1C1CC1 ZINC001575926639 950718214 /nfs/dbraw/zinc/71/82/14/950718214.db2.gz KVNFBEBOSMWQKM-GWCFXTLKSA-N -1 1 380.412 1.842 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576215915 950718545 /nfs/dbraw/zinc/71/85/45/950718545.db2.gz CFIXPPPQYJCFAF-MNOVXSKESA-N -1 1 392.414 1.020 20 0 GDADMM CC1(C)CC(C(=O)NC[C@H](O)CNc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001575628728 950723345 /nfs/dbraw/zinc/72/33/45/950723345.db2.gz FUJIQZUDXBKODX-QMMMGPOBSA-N -1 1 385.881 1.302 20 0 GDADMM CC1(C)CC(C(=O)NC[C@H](O)CNc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001575628728 950723359 /nfs/dbraw/zinc/72/33/59/950723359.db2.gz FUJIQZUDXBKODX-QMMMGPOBSA-N -1 1 385.881 1.302 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ocnc1C(F)F ZINC001575926890 950726370 /nfs/dbraw/zinc/72/63/70/950726370.db2.gz MSTFGHFXARFZJJ-HTQZYQBOSA-N -1 1 391.342 1.297 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ocnc1C(F)F ZINC001575926890 950726382 /nfs/dbraw/zinc/72/63/82/950726382.db2.gz MSTFGHFXARFZJJ-HTQZYQBOSA-N -1 1 391.342 1.297 20 0 GDADMM C[C@H](CC(=O)N[C@]12CCC[C@H]1CN(c1ccnc(-c3nn[n-]n3)n1)C2)C1CC1 ZINC001574520579 950737780 /nfs/dbraw/zinc/73/77/80/950737780.db2.gz UXAWJORTUZWLST-UHYGZKCKSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](CN(C)C(=O)c1cnn(C2CCC2)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574763952 950738293 /nfs/dbraw/zinc/73/82/93/950738293.db2.gz NSEBLZDZUQDYMJ-LLVKDONJSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@H](CN(C)C(=O)c1cnn(C2CCC2)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574763952 950738311 /nfs/dbraw/zinc/73/83/11/950738311.db2.gz NSEBLZDZUQDYMJ-LLVKDONJSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)C(C)(C)C2(C)C)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576216611 950741361 /nfs/dbraw/zinc/74/13/61/950741361.db2.gz DYYWDKDKQVQRCJ-WCQYABFASA-N -1 1 384.488 1.988 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)C(C)(C)C2(C)C)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576216611 950741374 /nfs/dbraw/zinc/74/13/74/950741374.db2.gz DYYWDKDKQVQRCJ-WCQYABFASA-N -1 1 384.488 1.988 20 0 GDADMM CC(C)(C)c1cc(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)[nH]n1 ZINC001573880413 950745734 /nfs/dbraw/zinc/74/57/34/950745734.db2.gz ZURJNYIYEKPVCF-JTQLQIEISA-N -1 1 382.432 1.004 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cncn1C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574764522 950750920 /nfs/dbraw/zinc/75/09/20/950750920.db2.gz UYYLMKBMQQIDIB-ZETCQYMHSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576217401 950759669 /nfs/dbraw/zinc/75/96/69/950759669.db2.gz HLCMMPIJTSNKHS-QWRGUYRKSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576217401 950759680 /nfs/dbraw/zinc/75/96/80/950759680.db2.gz HLCMMPIJTSNKHS-QWRGUYRKSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cccc(F)c1F ZINC001575927958 950763570 /nfs/dbraw/zinc/76/35/70/950763570.db2.gz WRTPXGLTPJXNNF-CABZTGNLSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cccc(F)c1F ZINC001575927958 950763591 /nfs/dbraw/zinc/76/35/91/950763591.db2.gz WRTPXGLTPJXNNF-CABZTGNLSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cccc(F)c1F ZINC001575927960 950765500 /nfs/dbraw/zinc/76/55/00/950765500.db2.gz WRTPXGLTPJXNNF-SKDRFNHKSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cccc(F)c1F ZINC001575927960 950765518 /nfs/dbraw/zinc/76/55/18/950765518.db2.gz WRTPXGLTPJXNNF-SKDRFNHKSA-N -1 1 386.366 1.650 20 0 GDADMM CC(C)(C)c1ccc(NC(=O)Cn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)cc1F ZINC001573882057 950767151 /nfs/dbraw/zinc/76/71/51/950767151.db2.gz PVWHHUSIMSBMHH-UHFFFAOYSA-N -1 1 387.375 1.204 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C(F)F)CC[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576217691 950769835 /nfs/dbraw/zinc/76/98/35/950769835.db2.gz IRXSAOOYQICBGX-UWVGGRQHSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C(F)F)CC[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576217691 950769850 /nfs/dbraw/zinc/76/98/50/950769850.db2.gz IRXSAOOYQICBGX-UWVGGRQHSA-N -1 1 380.403 1.597 20 0 GDADMM CC(C)(C)c1ccccc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573884004 950776524 /nfs/dbraw/zinc/77/65/24/950776524.db2.gz BZJLGPZWKLKBCZ-CYBMUJFWSA-N -1 1 392.467 1.703 20 0 GDADMM C[C@H](CN(C)C(=O)c1n[nH]cc1F)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574765161 950778900 /nfs/dbraw/zinc/77/89/00/950778900.db2.gz GIBSVQLBVNSTGQ-RXMQYKEDSA-N -1 1 385.816 1.411 20 0 GDADMM C[C@H](CN(C)C(=O)c1n[nH]cc1F)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574765161 950778911 /nfs/dbraw/zinc/77/89/11/950778911.db2.gz GIBSVQLBVNSTGQ-RXMQYKEDSA-N -1 1 385.816 1.411 20 0 GDADMM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC001602852748 971692213 /nfs/dbraw/zinc/69/22/13/971692213.db2.gz GCOHZLVZOWOGLL-CYBMUJFWSA-N -1 1 392.437 1.963 20 0 GDADMM C[C@H](CN(C)C(=O)c1scnc1C1CC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574765902 950804157 /nfs/dbraw/zinc/80/41/57/950804157.db2.gz FWAPXDXQJSSTKL-SECBINFHSA-N -1 1 385.457 1.563 20 0 GDADMM C[C@H](CN(C)C(=O)c1scnc1C1CC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574765902 950804176 /nfs/dbraw/zinc/80/41/76/950804176.db2.gz FWAPXDXQJSSTKL-SECBINFHSA-N -1 1 385.457 1.563 20 0 GDADMM CC1(C)CC(CC(=O)NC[C@H]2CCCCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575633726 950815878 /nfs/dbraw/zinc/81/58/78/950815878.db2.gz USQRXYPXRPTEPQ-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CN(C(=O)C(F)=C2CCCC2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576219982 950817720 /nfs/dbraw/zinc/81/77/20/950817720.db2.gz PMHBFTAFJAAJGA-DGCLKSJQSA-N -1 1 386.435 1.961 20 0 GDADMM C[C@@H]1CN(C(=O)C(F)=C2CCCC2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576219982 950817734 /nfs/dbraw/zinc/81/77/34/950817734.db2.gz PMHBFTAFJAAJGA-DGCLKSJQSA-N -1 1 386.435 1.961 20 0 GDADMM C[C@H](CN(C)C(=O)c1ocnc1C(F)F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574766819 950830802 /nfs/dbraw/zinc/83/08/02/950830802.db2.gz LCGOELNZPWBQOF-SSDOTTSWSA-N -1 1 379.331 1.155 20 0 GDADMM C[C@H](CN(C)C(=O)c1ocnc1C(F)F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574766819 950830822 /nfs/dbraw/zinc/83/08/22/950830822.db2.gz LCGOELNZPWBQOF-SSDOTTSWSA-N -1 1 379.331 1.155 20 0 GDADMM C[C@H]1CN(C(=O)C(C2CC2)C2CC2)CC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576221699 950859849 /nfs/dbraw/zinc/85/98/49/950859849.db2.gz VZLHZWQCLBBMGY-SMDDNHRTSA-N -1 1 382.472 1.742 20 0 GDADMM C[C@H]1CN(C(=O)C(C2CC2)C2CC2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576221699 950859869 /nfs/dbraw/zinc/85/98/69/950859869.db2.gz VZLHZWQCLBBMGY-SMDDNHRTSA-N -1 1 382.472 1.742 20 0 GDADMM C[C@@H]1CN(C(=O)C(C2CC2)C2CC2)CC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576221693 950860326 /nfs/dbraw/zinc/86/03/26/950860326.db2.gz VZLHZWQCLBBMGY-BXUZGUMPSA-N -1 1 382.472 1.742 20 0 GDADMM C[C@@H]1CN(C(=O)C(C2CC2)C2CC2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576221693 950860340 /nfs/dbraw/zinc/86/03/40/950860340.db2.gz VZLHZWQCLBBMGY-BXUZGUMPSA-N -1 1 382.472 1.742 20 0 GDADMM CC(C)CCCC(=O)NC1(CCO)CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001574189074 950861126 /nfs/dbraw/zinc/86/11/26/950861126.db2.gz BLQVISZMELIOKE-UHFFFAOYSA-N -1 1 392.529 1.808 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)(F)F)CC2)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576222033 950863079 /nfs/dbraw/zinc/86/30/79/950863079.db2.gz XEBDSAHAKRARGC-BDAKNGLRSA-N -1 1 382.350 1.258 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)(F)F)CC2)C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576222033 950863093 /nfs/dbraw/zinc/86/30/93/950863093.db2.gz XEBDSAHAKRARGC-BDAKNGLRSA-N -1 1 382.350 1.258 20 0 GDADMM CCOC(=O)[C@H]1CCCN(CC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)C1 ZINC001590208090 950885604 /nfs/dbraw/zinc/88/56/04/950885604.db2.gz HRIOOLONWSPNPX-OKZBNKHCSA-N -1 1 388.464 1.588 20 0 GDADMM CC(C)CCCC(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCOCC1 ZINC001574190374 950913305 /nfs/dbraw/zinc/91/33/05/950913305.db2.gz XMYJSOBNBOMZJA-UHFFFAOYSA-N -1 1 388.476 1.560 20 0 GDADMM CC(C)CCCC(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCOCC1 ZINC001574190374 950913326 /nfs/dbraw/zinc/91/33/26/950913326.db2.gz XMYJSOBNBOMZJA-UHFFFAOYSA-N -1 1 388.476 1.560 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1cscn1 ZINC001575936499 950917268 /nfs/dbraw/zinc/91/72/68/950917268.db2.gz FQLYKQAYOKUMST-PWSUYJOCSA-N -1 1 385.457 1.147 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1cscn1 ZINC001575936499 950917276 /nfs/dbraw/zinc/91/72/76/950917276.db2.gz FQLYKQAYOKUMST-PWSUYJOCSA-N -1 1 385.457 1.147 20 0 GDADMM CC1(C)C[C@H](NC(=O)c2cocn2)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575642019 950931934 /nfs/dbraw/zinc/93/19/34/950931934.db2.gz SVBDABRRGVHICJ-LLVKDONJSA-N -1 1 383.416 1.070 20 0 GDADMM CC1(C)C[C@H](NC(=O)c2cocn2)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575642019 950931956 /nfs/dbraw/zinc/93/19/56/950931956.db2.gz SVBDABRRGVHICJ-LLVKDONJSA-N -1 1 383.416 1.070 20 0 GDADMM C[C@H]1CN(C(=O)C2(F)CCCC2)CC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576228279 950933631 /nfs/dbraw/zinc/93/36/31/950933631.db2.gz GIWDCJVAMHYYIB-STQMWFEESA-N -1 1 388.451 1.836 20 0 GDADMM C[C@H]1CN(C(=O)C2(F)CCCC2)CC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576228279 950933655 /nfs/dbraw/zinc/93/36/55/950933655.db2.gz GIWDCJVAMHYYIB-STQMWFEESA-N -1 1 388.451 1.836 20 0 GDADMM CC(C)(CC(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)CC(F)F ZINC001573896634 950945665 /nfs/dbraw/zinc/94/56/65/950945665.db2.gz JCDWUFIIGUHZCA-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)(CC(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)CC(F)F ZINC001573896634 950945687 /nfs/dbraw/zinc/94/56/87/950945687.db2.gz JCDWUFIIGUHZCA-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)(CC(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C(F)(F)F ZINC001573897205 950956712 /nfs/dbraw/zinc/95/67/12/950956712.db2.gz MDKYYWUCBQXPIN-UHFFFAOYSA-N -1 1 384.366 1.284 20 0 GDADMM CC(C)(CC(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C(F)(F)F ZINC001573897205 950956725 /nfs/dbraw/zinc/95/67/25/950956725.db2.gz MDKYYWUCBQXPIN-UHFFFAOYSA-N -1 1 384.366 1.284 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)CC(F)(F)C2)CC[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576229520 950974293 /nfs/dbraw/zinc/97/42/93/950974293.db2.gz KBYQRGDYVMPGKM-MNOVXSKESA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)CC(F)(F)C2)CC[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576229520 950974314 /nfs/dbraw/zinc/97/43/14/950974314.db2.gz KBYQRGDYVMPGKM-MNOVXSKESA-N -1 1 392.414 1.741 20 0 GDADMM CC(C)c1ccc(C(=O)NC[C@H](C)CNc2nccnc2-c2nnn[n-]2)nc1 ZINC001575018167 951015137 /nfs/dbraw/zinc/01/51/37/951015137.db2.gz LYVFCXDNRQOQIG-GFCCVEGCSA-N -1 1 381.444 1.653 20 0 GDADMM CC(C)c1ccc(C(=O)NC[C@H](C)CNc2nccnc2-c2nn[n-]n2)nc1 ZINC001575018167 951015153 /nfs/dbraw/zinc/01/51/53/951015153.db2.gz LYVFCXDNRQOQIG-GFCCVEGCSA-N -1 1 381.444 1.653 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)cc1F)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575021587 951062951 /nfs/dbraw/zinc/06/29/51/951062951.db2.gz DLGUTFPCAXRKJW-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)cc1F)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575021587 951062965 /nfs/dbraw/zinc/06/29/65/951062965.db2.gz DLGUTFPCAXRKJW-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)c(Cl)c1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575024167 951091899 /nfs/dbraw/zinc/09/18/99/951091899.db2.gz WRFBEQOIPPQBGL-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)c(Cl)c1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575024167 951091908 /nfs/dbraw/zinc/09/19/08/951091908.db2.gz WRFBEQOIPPQBGL-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCCC2)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575024295 951098400 /nfs/dbraw/zinc/09/84/00/951098400.db2.gz ACHCWLSHPJPORQ-CYBMUJFWSA-N -1 1 392.467 1.790 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)cc1Cl)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575025498 951130939 /nfs/dbraw/zinc/13/09/39/951130939.db2.gz ZRZZRKFKBDSFOM-VIFPVBQESA-N -1 1 390.810 1.349 20 0 GDADMM C[C@H](CNC(=O)c1cccc(=O)[nH]1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575026417 951142356 /nfs/dbraw/zinc/14/23/56/951142356.db2.gz JHQSFFXBVBDGMQ-ZCFIWIBFSA-N -1 1 380.821 1.308 20 0 GDADMM C[C@H](CNC(=O)c1cccc(=O)[nH]1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575026417 951142363 /nfs/dbraw/zinc/14/23/63/951142363.db2.gz JHQSFFXBVBDGMQ-ZCFIWIBFSA-N -1 1 380.821 1.308 20 0 GDADMM C[C@H](CNC(=O)c1cccc2c1CCCC2)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575027948 951163624 /nfs/dbraw/zinc/16/36/24/951163624.db2.gz JQPLOCPOWAFPIJ-CYBMUJFWSA-N -1 1 392.467 1.790 20 0 GDADMM C[C@H](CNC(=O)c1cccc2c1CCCC2)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575027948 951163633 /nfs/dbraw/zinc/16/36/33/951163633.db2.gz JQPLOCPOWAFPIJ-CYBMUJFWSA-N -1 1 392.467 1.790 20 0 GDADMM C[C@H](CNC(=O)c1cccc2c1CCC2)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575029551 951187095 /nfs/dbraw/zinc/18/70/95/951187095.db2.gz VMIHZDPSCXAGNY-LBPRGKRZSA-N -1 1 378.440 1.623 20 0 GDADMM C[C@H](CNC(=O)c1cccc2c1CCC2)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575029551 951187105 /nfs/dbraw/zinc/18/71/05/951187105.db2.gz VMIHZDPSCXAGNY-LBPRGKRZSA-N -1 1 378.440 1.623 20 0 GDADMM C[C@@H](CNC(=O)c1cccnc1C1CC1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575031558 951197058 /nfs/dbraw/zinc/19/70/58/951197058.db2.gz CYBORZLMKHMCBW-LLVKDONJSA-N -1 1 379.428 1.407 20 0 GDADMM C[C@@H](CNC(=O)c1cccnc1C1CC1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575031558 951197066 /nfs/dbraw/zinc/19/70/66/951197066.db2.gz CYBORZLMKHMCBW-LLVKDONJSA-N -1 1 379.428 1.407 20 0 GDADMM CC(C)Oc1ccccc1C(=O)NC[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575032070 951216099 /nfs/dbraw/zinc/21/60/99/951216099.db2.gz PPIWMFFTBRGRIF-LBPRGKRZSA-N -1 1 382.428 1.674 20 0 GDADMM CC(C)Oc1ccccc1C(=O)NC[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575032070 951216109 /nfs/dbraw/zinc/21/61/09/951216109.db2.gz PPIWMFFTBRGRIF-LBPRGKRZSA-N -1 1 382.428 1.674 20 0 GDADMM C[C@H](CNC(=O)c1ccnc(C2CC2)c1)CNc1nccnc1-c1nnn[n-]1 ZINC001575036205 951288620 /nfs/dbraw/zinc/28/86/20/951288620.db2.gz PNSQMJXJSKYWCQ-NSHDSACASA-N -1 1 379.428 1.407 20 0 GDADMM C[C@H](CNC(=O)c1ccnc(C2CC2)c1)CNc1nccnc1-c1nn[n-]n1 ZINC001575036205 951288631 /nfs/dbraw/zinc/28/86/31/951288631.db2.gz PNSQMJXJSKYWCQ-NSHDSACASA-N -1 1 379.428 1.407 20 0 GDADMM C[C@H](CNC(=O)c1ccn(C)c1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001575036846 951301908 /nfs/dbraw/zinc/30/19/08/951301908.db2.gz XPCAKAOYLPVWIP-MRVPVSSYSA-N -1 1 380.865 1.570 20 0 GDADMM C[C@H](CNC(=O)c1ccn(C)c1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001575036846 951301914 /nfs/dbraw/zinc/30/19/14/951301914.db2.gz XPCAKAOYLPVWIP-MRVPVSSYSA-N -1 1 380.865 1.570 20 0 GDADMM C[C@@H](CNC(=O)c1ccsc1Cl)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575037827 951310608 /nfs/dbraw/zinc/31/06/08/951310608.db2.gz CVGCFUFERCOEGB-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@@H](CNC(=O)c1ccsc1Cl)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575037827 951310620 /nfs/dbraw/zinc/31/06/20/951310620.db2.gz CVGCFUFERCOEGB-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM CCOc1ccc([C@H](O)C2CCN([C@@H]3CCN(CC(=O)[O-])C3=O)CC2)cc1 ZINC001592426079 951327807 /nfs/dbraw/zinc/32/78/07/951327807.db2.gz JKZFNQVQPPEVPW-MJGOQNOKSA-N -1 1 376.453 1.516 20 0 GDADMM C[C@@H](CNC(=O)c1cnc(C2CC2)s1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575042895 951373532 /nfs/dbraw/zinc/37/35/32/951373532.db2.gz CXMZGGMGAQOAKV-VIFPVBQESA-N -1 1 385.457 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1cnc(C2CC2)s1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575042895 951373548 /nfs/dbraw/zinc/37/35/48/951373548.db2.gz CXMZGGMGAQOAKV-VIFPVBQESA-N -1 1 385.457 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1cnc(C(C)(C)C)s1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575044057 951408019 /nfs/dbraw/zinc/40/80/19/951408019.db2.gz OOBYCOXXDZJRID-VIFPVBQESA-N -1 1 387.473 1.641 20 0 GDADMM C[C@@H](CNC(=O)c1cnc(C(C)(C)C)s1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575044057 951408026 /nfs/dbraw/zinc/40/80/26/951408026.db2.gz OOBYCOXXDZJRID-VIFPVBQESA-N -1 1 387.473 1.641 20 0 GDADMM C[C@@H](CNC(=O)c1cnc2ccccc2c1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575044817 951420815 /nfs/dbraw/zinc/42/08/15/951420815.db2.gz VQNVMINTXACOGP-LBPRGKRZSA-N -1 1 389.423 1.460 20 0 GDADMM C[C@@H](CNC(=O)c1cnc2ccccc2c1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575044817 951420821 /nfs/dbraw/zinc/42/08/21/951420821.db2.gz VQNVMINTXACOGP-LBPRGKRZSA-N -1 1 389.423 1.460 20 0 GDADMM C[C@H](CNC(=O)c1cncs1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001575054162 951486590 /nfs/dbraw/zinc/48/65/90/951486590.db2.gz WSGMTNLNTIJGCA-ZCFIWIBFSA-N -1 1 384.878 1.688 20 0 GDADMM C[C@H](CNC(=O)c1cncs1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001575054162 951486593 /nfs/dbraw/zinc/48/65/93/951486593.db2.gz WSGMTNLNTIJGCA-ZCFIWIBFSA-N -1 1 384.878 1.688 20 0 GDADMM C[C@@H](CNC(=O)c1coc(C2CCC2)n1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575056326 951518388 /nfs/dbraw/zinc/51/83/88/951518388.db2.gz HMDJLKGTKBIUCT-JTQLQIEISA-N -1 1 383.416 1.167 20 0 GDADMM C[C@@H](CNC(=O)c1coc(C(F)F)c1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575059297 951540931 /nfs/dbraw/zinc/54/09/31/951540931.db2.gz YYFBBAVBCPUZBC-MRVPVSSYSA-N -1 1 378.343 1.665 20 0 GDADMM C[C@@H](CNC(=O)c1coc(C(F)F)c1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575059297 951540937 /nfs/dbraw/zinc/54/09/37/951540937.db2.gz YYFBBAVBCPUZBC-MRVPVSSYSA-N -1 1 378.343 1.665 20 0 GDADMM C[C@@H](CNC(=O)c1nc(Cl)cs1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575061946 951563331 /nfs/dbraw/zinc/56/33/31/951563331.db2.gz RQNYGHKJYBVDGE-SSDOTTSWSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1nc(Cl)cs1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575061946 951563340 /nfs/dbraw/zinc/56/33/40/951563340.db2.gz RQNYGHKJYBVDGE-SSDOTTSWSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@H](CNC(=O)c1cscc1Cl)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575062785 951571393 /nfs/dbraw/zinc/57/13/93/951571393.db2.gz YETLFYRVOJOFCA-QMMMGPOBSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@H](CNC(=O)c1cscc1Cl)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575062785 951571399 /nfs/dbraw/zinc/57/13/99/951571399.db2.gz YETLFYRVOJOFCA-QMMMGPOBSA-N -1 1 378.849 1.850 20 0 GDADMM CC(C)c1scnc1C(=O)NC[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575064620 951576650 /nfs/dbraw/zinc/57/66/50/951576650.db2.gz BGHKKGNMQMJDRG-JTQLQIEISA-N -1 1 387.473 1.715 20 0 GDADMM CC(C)c1scnc1C(=O)NC[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575064620 951576655 /nfs/dbraw/zinc/57/66/55/951576655.db2.gz BGHKKGNMQMJDRG-JTQLQIEISA-N -1 1 387.473 1.715 20 0 GDADMM C[C@@H](CNC(=O)c1ncccc1F)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575067878 951625127 /nfs/dbraw/zinc/62/51/27/951625127.db2.gz QFNQRPHWMKJVLY-LURJTMIESA-N -1 1 382.812 1.741 20 0 GDADMM C[C@H](CNC(=O)c1scnc1C1CC1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575068618 951636159 /nfs/dbraw/zinc/63/61/59/951636159.db2.gz CJAJUGYSEHARFV-SECBINFHSA-N -1 1 385.457 1.245 20 0 GDADMM C[C@H](CNC(=O)c1scnc1C1CC1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575068618 951636165 /nfs/dbraw/zinc/63/61/65/951636165.db2.gz CJAJUGYSEHARFV-SECBINFHSA-N -1 1 385.457 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1scnc1Cl)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575070141 951648874 /nfs/dbraw/zinc/64/88/74/951648874.db2.gz OBMHYRSTMOTGDQ-SSDOTTSWSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1scnc1Cl)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575070141 951648878 /nfs/dbraw/zinc/64/88/78/951648878.db2.gz OBMHYRSTMOTGDQ-SSDOTTSWSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)[C@H]1CCCOCC1)C1CC1 ZINC001575128165 952063950 /nfs/dbraw/zinc/06/39/50/952063950.db2.gz FZAWVLHPYNTLOQ-SGTLLEGYSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)[C@H]1CCCOCC1)C1CC1 ZINC001575128165 952063955 /nfs/dbraw/zinc/06/39/55/952063955.db2.gz FZAWVLHPYNTLOQ-SGTLLEGYSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)[C@@H]1CCCC12CC2)C1CC1 ZINC001575129621 952083670 /nfs/dbraw/zinc/08/36/70/952083670.db2.gz XNNGRAQQNWCQLL-UGSOOPFHSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)[C@@H]1CCCC12CC2)C1CC1 ZINC001575129621 952083681 /nfs/dbraw/zinc/08/36/81/952083681.db2.gz XNNGRAQQNWCQLL-UGSOOPFHSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)CCCc1ccccn1 ZINC001575134180 952109605 /nfs/dbraw/zinc/10/96/05/952109605.db2.gz MTZCABWAHLNUQL-CYBMUJFWSA-N -1 1 381.444 1.333 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)CCCc1ccccn1 ZINC001575134180 952109610 /nfs/dbraw/zinc/10/96/10/952109610.db2.gz MTZCABWAHLNUQL-CYBMUJFWSA-N -1 1 381.444 1.333 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1n[nH]c2ccccc21 ZINC001575134383 952111427 /nfs/dbraw/zinc/11/14/27/952111427.db2.gz HMKPRRUSHKHZSG-SNVBAGLBSA-N -1 1 378.400 1.106 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ccc(C2CC2)cn1 ZINC001575136820 952129254 /nfs/dbraw/zinc/12/92/54/952129254.db2.gz XILHXMTXBFTKDN-NSHDSACASA-N -1 1 379.428 1.502 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ccc(C2CC2)cn1 ZINC001575136820 952129259 /nfs/dbraw/zinc/12/92/59/952129259.db2.gz XILHXMTXBFTKDN-NSHDSACASA-N -1 1 379.428 1.502 20 0 GDADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)c1ccc(Cl)o1)C1CC1 ZINC001575142826 952150244 /nfs/dbraw/zinc/15/02/44/952150244.db2.gz MLWTWWKCMWUVKE-MRXNPFEDSA-N -1 1 388.819 1.336 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1[nH]cnc1C(C)(C)C ZINC001575153037 952205301 /nfs/dbraw/zinc/20/53/01/952205301.db2.gz CDRNSRZYZZEUON-SNVBAGLBSA-N -1 1 384.448 1.250 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)C1(C(F)(F)F)CCC1 ZINC001575153706 952211975 /nfs/dbraw/zinc/21/19/75/952211975.db2.gz JTXMQVILENEUOP-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)C1(C(F)(F)F)CCC1 ZINC001575153706 952211979 /nfs/dbraw/zinc/21/19/79/952211979.db2.gz JTXMQVILENEUOP-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)c1ccc(F)s1)C1CC1 ZINC001575154143 952216973 /nfs/dbraw/zinc/21/69/73/952216973.db2.gz OSVPMMCXWNISMA-INIZCTEOSA-N -1 1 388.432 1.868 20 0 GDADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)c1ccc(F)s1)C1CC1 ZINC001575154143 952216976 /nfs/dbraw/zinc/21/69/76/952216976.db2.gz OSVPMMCXWNISMA-INIZCTEOSA-N -1 1 388.432 1.868 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)Cc1ccc(F)c(F)c1 ZINC001575154197 952218567 /nfs/dbraw/zinc/21/85/67/952218567.db2.gz QBOXTPYMQWNOIA-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)Cc1ccc(F)c(F)c1 ZINC001575154197 952218570 /nfs/dbraw/zinc/21/85/70/952218570.db2.gz QBOXTPYMQWNOIA-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)CCc1ccoc1)C1CC1 ZINC001575154961 952233229 /nfs/dbraw/zinc/23/32/29/952233229.db2.gz IWFYUHXMSZEVCN-GOSISDBHSA-N -1 1 382.428 1.579 20 0 GDADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)CCc1ccoc1)C1CC1 ZINC001575154961 952233236 /nfs/dbraw/zinc/23/32/36/952233236.db2.gz IWFYUHXMSZEVCN-GOSISDBHSA-N -1 1 382.428 1.579 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H]1CCCC(F)(F)C1 ZINC001575155925 952246114 /nfs/dbraw/zinc/24/61/14/952246114.db2.gz AVKPDYXSZZOYMH-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCCC(F)(F)C1 ZINC001575155925 952246118 /nfs/dbraw/zinc/24/61/18/952246118.db2.gz AVKPDYXSZZOYMH-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001575156141 952248485 /nfs/dbraw/zinc/24/84/85/952248485.db2.gz CTEUJYBGUIDIOV-SNVBAGLBSA-N -1 1 384.448 1.250 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001575156141 952248492 /nfs/dbraw/zinc/24/84/92/952248492.db2.gz CTEUJYBGUIDIOV-SNVBAGLBSA-N -1 1 384.448 1.250 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CC(C)(C)C(F)(F)F ZINC001575156393 952252331 /nfs/dbraw/zinc/25/23/31/952252331.db2.gz FFVRDRRKMLLZSF-VIFPVBQESA-N -1 1 386.382 1.894 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CC(C)(C)C(F)(F)F ZINC001575156393 952252336 /nfs/dbraw/zinc/25/23/36/952252336.db2.gz FFVRDRRKMLLZSF-VIFPVBQESA-N -1 1 386.382 1.894 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1ccc(C(F)F)nc1 ZINC001575156475 952252968 /nfs/dbraw/zinc/25/29/68/952252968.db2.gz FWRCCIBTZCSMIS-VIFPVBQESA-N -1 1 389.370 1.562 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc(C(F)F)nc1 ZINC001575156475 952252974 /nfs/dbraw/zinc/25/29/74/952252974.db2.gz FWRCCIBTZCSMIS-VIFPVBQESA-N -1 1 389.370 1.562 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cnn(C(C)(C)C)c1 ZINC001575156946 952260595 /nfs/dbraw/zinc/26/05/95/952260595.db2.gz JCZLKXHRPKKWPA-NSHDSACASA-N -1 1 384.448 1.181 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cnn(C(C)(C)C)c1 ZINC001575156946 952260599 /nfs/dbraw/zinc/26/05/99/952260599.db2.gz JCZLKXHRPKKWPA-NSHDSACASA-N -1 1 384.448 1.181 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)C1=COCCC1 ZINC001575164111 952286861 /nfs/dbraw/zinc/28/68/61/952286861.db2.gz BPNSPRIICRZFLC-QMMMGPOBSA-N -1 1 383.865 1.930 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)C1=COCCC1 ZINC001575164111 952286867 /nfs/dbraw/zinc/28/68/67/952286867.db2.gz BPNSPRIICRZFLC-QMMMGPOBSA-N -1 1 383.865 1.930 20 0 GDADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)Cc1cnoc1 ZINC001575164999 952302983 /nfs/dbraw/zinc/30/29/83/952302983.db2.gz JDNSULOOWGKZHT-ZETCQYMHSA-N -1 1 382.837 1.466 20 0 GDADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)Cc1ncc[nH]1 ZINC001575166412 952325799 /nfs/dbraw/zinc/32/57/99/952325799.db2.gz VWJITDLXDCYPAA-ZETCQYMHSA-N -1 1 381.853 1.201 20 0 GDADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)Cc1ccsc1)C1CC1 ZINC001575173898 952360055 /nfs/dbraw/zinc/36/00/55/952360055.db2.gz CLLMNRAFOVAFPT-KRWDZBQOSA-N -1 1 384.469 1.658 20 0 GDADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)Cc1ccsc1)C1CC1 ZINC001575173898 952360064 /nfs/dbraw/zinc/36/00/64/952360064.db2.gz CLLMNRAFOVAFPT-KRWDZBQOSA-N -1 1 384.469 1.658 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cc2cnccc2o1 ZINC001575178142 952405255 /nfs/dbraw/zinc/40/52/55/952405255.db2.gz KTFKPNXYEFKLAJ-JTQLQIEISA-N -1 1 379.384 1.371 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cc2cnccc2o1 ZINC001575178142 952405260 /nfs/dbraw/zinc/40/52/60/952405260.db2.gz KTFKPNXYEFKLAJ-JTQLQIEISA-N -1 1 379.384 1.371 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ncsc1C1CC1 ZINC001575178765 952408231 /nfs/dbraw/zinc/40/82/31/952408231.db2.gz MRSOMNKRSRBFDS-SECBINFHSA-N -1 1 385.457 1.563 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ncsc1C1CC1 ZINC001575178765 952408235 /nfs/dbraw/zinc/40/82/35/952408235.db2.gz MRSOMNKRSRBFDS-SECBINFHSA-N -1 1 385.457 1.563 20 0 GDADMM C[C@H](COc1ccc(F)cc1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001575180241 952416724 /nfs/dbraw/zinc/41/67/24/952416724.db2.gz YUKXLFIPIPIKMY-SNVBAGLBSA-N -1 1 378.389 1.147 20 0 GDADMM C[C@H](COc1ccc(F)cc1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001575180241 952416729 /nfs/dbraw/zinc/41/67/29/952416729.db2.gz YUKXLFIPIPIKMY-SNVBAGLBSA-N -1 1 378.389 1.147 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575188091 952445977 /nfs/dbraw/zinc/44/59/77/952445977.db2.gz HIUVRBHPUZHMRT-STQMWFEESA-N -1 1 382.428 1.166 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575188091 952445981 /nfs/dbraw/zinc/44/59/81/952445981.db2.gz HIUVRBHPUZHMRT-STQMWFEESA-N -1 1 382.428 1.166 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575188084 952446709 /nfs/dbraw/zinc/44/67/09/952446709.db2.gz HIUVRBHPUZHMRT-CHWSQXEVSA-N -1 1 382.428 1.166 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575188084 952446713 /nfs/dbraw/zinc/44/67/13/952446713.db2.gz HIUVRBHPUZHMRT-CHWSQXEVSA-N -1 1 382.428 1.166 20 0 GDADMM Cc1nsc(NC[C@@H]2CCN(C(=O)CC(F)(F)F)C2)c1-c1nn[n-]n1 ZINC001571114074 952448153 /nfs/dbraw/zinc/44/81/53/952448153.db2.gz AFRXDCKOUDKYNZ-QMMMGPOBSA-N -1 1 375.380 1.844 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H](C)Cc1ccccc1F ZINC001575188979 952452985 /nfs/dbraw/zinc/45/29/85/952452985.db2.gz LRTZEPOYDNVAEE-NWDGAFQWSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)Cc1ccccc1F ZINC001575188979 952452991 /nfs/dbraw/zinc/45/29/91/952452991.db2.gz LRTZEPOYDNVAEE-NWDGAFQWSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@@H](Cc1ccccc1F)C(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001575189824 952459288 /nfs/dbraw/zinc/45/92/88/952459288.db2.gz QUOGAKHQEIHDHT-LBPRGKRZSA-N -1 1 384.419 1.545 20 0 GDADMM C[C@@H](Cc1ccccc1F)C(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001575189824 952459291 /nfs/dbraw/zinc/45/92/91/952459291.db2.gz QUOGAKHQEIHDHT-LBPRGKRZSA-N -1 1 384.419 1.545 20 0 GDADMM C[C@H](Cc1ccccc1F)C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575189873 952459925 /nfs/dbraw/zinc/45/99/25/952459925.db2.gz RFMKJRIXHPWDFW-GFCCVEGCSA-N -1 1 384.419 1.227 20 0 GDADMM C[C@H](Cc1ccccc1F)C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575189873 952459929 /nfs/dbraw/zinc/45/99/29/952459929.db2.gz RFMKJRIXHPWDFW-GFCCVEGCSA-N -1 1 384.419 1.227 20 0 GDADMM O=C(NCCc1c(F)cc([O-])cc1F)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC001571115019 952462480 /nfs/dbraw/zinc/46/24/80/952462480.db2.gz QCMIMWNGHBXADM-HNNXBMFYSA-N -1 1 375.335 1.243 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H](C)Cc1cccc(F)c1 ZINC001575191116 952466538 /nfs/dbraw/zinc/46/65/38/952466538.db2.gz XDWODAOFIDSUSF-RYUDHWBXSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H](C)Cc1cccc(F)c1 ZINC001575191116 952466541 /nfs/dbraw/zinc/46/65/41/952466541.db2.gz XDWODAOFIDSUSF-RYUDHWBXSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001575197171 952480063 /nfs/dbraw/zinc/48/00/63/952480063.db2.gz OKMAOEAIWRUIJH-JHJVBQTASA-N -1 1 382.428 1.435 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001575197171 952480068 /nfs/dbraw/zinc/48/00/68/952480068.db2.gz OKMAOEAIWRUIJH-JHJVBQTASA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCC1 ZINC001575197436 952484183 /nfs/dbraw/zinc/48/41/83/952484183.db2.gz VUVOBWBPFFPAGM-LBPRGKRZSA-N -1 1 382.428 1.579 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCC1 ZINC001575197436 952484187 /nfs/dbraw/zinc/48/41/87/952484187.db2.gz VUVOBWBPFFPAGM-LBPRGKRZSA-N -1 1 382.428 1.579 20 0 GDADMM Cc1nsc(NC[C@H]2CN(C(=O)[C@H]3CC34CC4)CCO2)c1-c1nn[n-]n1 ZINC001571118074 952485924 /nfs/dbraw/zinc/48/59/24/952485924.db2.gz UBONFMGITWUIQN-WDEREUQCSA-N -1 1 375.458 1.071 20 0 GDADMM O=C(N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC001571120762 952508441 /nfs/dbraw/zinc/50/84/41/952508441.db2.gz QRTIJJROJNYWTH-SOUVJXGZSA-N -1 1 376.424 1.155 20 0 GDADMM O=C(N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC001571120762 952508447 /nfs/dbraw/zinc/50/84/47/952508447.db2.gz QRTIJJROJNYWTH-SOUVJXGZSA-N -1 1 376.424 1.155 20 0 GDADMM O=C([C@H]1Cc2ccccc21)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571120745 952508940 /nfs/dbraw/zinc/50/89/40/952508940.db2.gz QOZUJJOIYIWTBT-HIFRSBDPSA-N -1 1 376.424 1.400 20 0 GDADMM O=C([C@H]1Cc2ccccc21)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571120745 952508944 /nfs/dbraw/zinc/50/89/44/952508944.db2.gz QOZUJJOIYIWTBT-HIFRSBDPSA-N -1 1 376.424 1.400 20 0 GDADMM O=C(N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)[C@H]1Cc2ccccc21 ZINC001571120858 952509792 /nfs/dbraw/zinc/50/97/92/952509792.db2.gz RUBPSOKATWAWMY-HIFRSBDPSA-N -1 1 376.424 1.082 20 0 GDADMM O=C(N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)[C@H]1Cc2ccccc21 ZINC001571120858 952509797 /nfs/dbraw/zinc/50/97/97/952509797.db2.gz RUBPSOKATWAWMY-HIFRSBDPSA-N -1 1 376.424 1.082 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001575202876 952516061 /nfs/dbraw/zinc/51/60/61/952516061.db2.gz PZGQKOUSQCCQJO-AVGNSLFASA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001575202876 952516070 /nfs/dbraw/zinc/51/60/70/952516070.db2.gz PZGQKOUSQCCQJO-AVGNSLFASA-N -1 1 382.428 1.435 20 0 GDADMM O=C(c1ccccn1)N1CC[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571121932 952524118 /nfs/dbraw/zinc/52/41/18/952524118.db2.gz FLJXRJIOQPVKNP-MRVPVSSYSA-N -1 1 376.833 1.698 20 0 GDADMM O=C(c1ccccn1)N1CC[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571121932 952524120 /nfs/dbraw/zinc/52/41/20/952524120.db2.gz FLJXRJIOQPVKNP-MRVPVSSYSA-N -1 1 376.833 1.698 20 0 GDADMM O=C(c1csc(Cl)c1)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571123107 952527994 /nfs/dbraw/zinc/52/79/94/952527994.db2.gz OZPQYJKZDGVQIG-SECBINFHSA-N -1 1 376.833 1.698 20 0 GDADMM O=C(c1csc(Cl)c1)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571123107 952527998 /nfs/dbraw/zinc/52/79/98/952527998.db2.gz OZPQYJKZDGVQIG-SECBINFHSA-N -1 1 376.833 1.698 20 0 GDADMM CCc1nc(N[C@@H](C)[C@@H]2CCN(C(=O)C(C)(C)F)C2)cc(-c2nnn[n-]2)n1 ZINC001571123825 952532895 /nfs/dbraw/zinc/53/28/95/952532895.db2.gz WLBNQQACCJWOPP-WDEREUQCSA-N -1 1 376.440 1.616 20 0 GDADMM CCc1nc(N[C@@H](C)[C@@H]2CCN(C(=O)C(C)(C)F)C2)cc(-c2nn[n-]n2)n1 ZINC001571123825 952532899 /nfs/dbraw/zinc/53/28/99/952532899.db2.gz WLBNQQACCJWOPP-WDEREUQCSA-N -1 1 376.440 1.616 20 0 GDADMM O=C(c1ccccc1)N1CCC[C@@H]2[C@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001571124165 952535317 /nfs/dbraw/zinc/53/53/17/952535317.db2.gz ZVMOLFLEGKVDBU-HZPDHXFCSA-N -1 1 376.424 1.540 20 0 GDADMM O=C(c1ccccc1)N1CCC[C@@H]2[C@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001571124165 952535318 /nfs/dbraw/zinc/53/53/18/952535318.db2.gz ZVMOLFLEGKVDBU-HZPDHXFCSA-N -1 1 376.424 1.540 20 0 GDADMM O=C(c1cccnc1C1CC1)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571127004 952549268 /nfs/dbraw/zinc/54/92/68/952549268.db2.gz BYXPDUQYIZSYCL-LBPRGKRZSA-N -1 1 377.412 1.256 20 0 GDADMM O=C(c1cccnc1C1CC1)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571127004 952549269 /nfs/dbraw/zinc/54/92/69/952549269.db2.gz BYXPDUQYIZSYCL-LBPRGKRZSA-N -1 1 377.412 1.256 20 0 GDADMM Cc1nsc(N2CC[C@](C)(NC(=O)C3CCOCC3)C2)c1-c1nn[n-]n1 ZINC001571127609 952557835 /nfs/dbraw/zinc/55/78/35/952557835.db2.gz JSUQBPPAPFCKAH-INIZCTEOSA-N -1 1 377.474 1.143 20 0 GDADMM O=C(N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)C1CCC(F)(F)CC1 ZINC001571129961 952577581 /nfs/dbraw/zinc/57/75/81/952577581.db2.gz LWGYNDSKULETPZ-NSHDSACASA-N -1 1 378.387 1.177 20 0 GDADMM O=C(N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)C1CCC(F)(F)CC1 ZINC001571129961 952577585 /nfs/dbraw/zinc/57/75/85/952577585.db2.gz LWGYNDSKULETPZ-NSHDSACASA-N -1 1 378.387 1.177 20 0 GDADMM C[C@@H]1C[C@@H](NC(=O)C2CC(F)(F)C2)CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571130251 952579434 /nfs/dbraw/zinc/57/94/34/952579434.db2.gz QXPWXOQOKDHWOA-KOLCDFICSA-N -1 1 378.387 1.176 20 0 GDADMM C[C@@H]1C[C@@H](NC(=O)C2CC(F)(F)C2)CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571130251 952579436 /nfs/dbraw/zinc/57/94/36/952579436.db2.gz QXPWXOQOKDHWOA-KOLCDFICSA-N -1 1 378.387 1.176 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)c(C)c1 ZINC001571133977 952583723 /nfs/dbraw/zinc/58/37/23/952583723.db2.gz AKTORIOVZPZWGK-CQSZACIVSA-N -1 1 378.440 1.990 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)c(C)c1 ZINC001571133977 952583727 /nfs/dbraw/zinc/58/37/27/952583727.db2.gz AKTORIOVZPZWGK-CQSZACIVSA-N -1 1 378.440 1.990 20 0 GDADMM Cc1ccccc1CC(=O)N(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571133998 952583946 /nfs/dbraw/zinc/58/39/46/952583946.db2.gz AVQQNYOKIBNKJZ-HNNXBMFYSA-N -1 1 378.440 1.245 20 0 GDADMM Cc1ccccc1CC(=O)N(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571133998 952583951 /nfs/dbraw/zinc/58/39/51/952583951.db2.gz AVQQNYOKIBNKJZ-HNNXBMFYSA-N -1 1 378.440 1.245 20 0 GDADMM Cc1ccc(C(=O)N(C)C2CC(Nc3ccnc(-c4nn[n-]n4)n3)C2)cc1C ZINC001571134135 952585715 /nfs/dbraw/zinc/58/57/15/952585715.db2.gz FBTJMNNOKWJGIS-UHFFFAOYSA-N -1 1 378.440 1.411 20 0 GDADMM Cc1cccc(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)[C@@H](C)C2)c1 ZINC001571134199 952587739 /nfs/dbraw/zinc/58/77/39/952587739.db2.gz GCBNRAUUXAODHB-ZFWWWQNUSA-N -1 1 378.440 1.752 20 0 GDADMM Cc1cccc(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)[C@@H](C)C2)c1 ZINC001571134199 952587741 /nfs/dbraw/zinc/58/77/41/952587741.db2.gz GCBNRAUUXAODHB-ZFWWWQNUSA-N -1 1 378.440 1.752 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccccc2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571134627 952592663 /nfs/dbraw/zinc/59/26/63/952592663.db2.gz ISHYMWIGLQJUQN-UKRRQHHQSA-N -1 1 378.440 1.867 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccccc2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571134627 952592666 /nfs/dbraw/zinc/59/26/66/952592666.db2.gz ISHYMWIGLQJUQN-UKRRQHHQSA-N -1 1 378.440 1.867 20 0 GDADMM CCc1ccc(C(=O)NC[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571134598 952592806 /nfs/dbraw/zinc/59/28/06/952592806.db2.gz HNGKUJNDBYHVRY-AWEZNQCLSA-N -1 1 378.440 1.475 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1)c1ccccc1 ZINC001571134781 952595290 /nfs/dbraw/zinc/59/52/90/952595290.db2.gz LLZZZPILCXYVSS-KBPBESRZSA-N -1 1 378.440 1.721 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1)c1ccccc1 ZINC001571134781 952595291 /nfs/dbraw/zinc/59/52/91/952595291.db2.gz LLZZZPILCXYVSS-KBPBESRZSA-N -1 1 378.440 1.721 20 0 GDADMM CCc1ccc(C(=O)N2CCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)cc1 ZINC001571134747 952595321 /nfs/dbraw/zinc/59/53/21/952595321.db2.gz KWIMJDOGSPEVBO-OAHLLOKOSA-N -1 1 378.440 1.936 20 0 GDADMM CCc1ccc(C(=O)N2CCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)cc1 ZINC001571134747 952595324 /nfs/dbraw/zinc/59/53/24/952595324.db2.gz KWIMJDOGSPEVBO-OAHLLOKOSA-N -1 1 378.440 1.936 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@H]2C)cc1C ZINC001571135351 952602929 /nfs/dbraw/zinc/60/29/29/952602929.db2.gz VZYKBCRCBMTPDU-HIFRSBDPSA-N -1 1 378.440 1.989 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@H]2C)cc1C ZINC001571135351 952602934 /nfs/dbraw/zinc/60/29/34/952602934.db2.gz VZYKBCRCBMTPDU-HIFRSBDPSA-N -1 1 378.440 1.989 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001571135402 952603349 /nfs/dbraw/zinc/60/33/49/952603349.db2.gz VFZTWFKVTYLRFG-KGLIPLIRSA-N -1 1 378.440 1.721 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001571135402 952603353 /nfs/dbraw/zinc/60/33/53/952603353.db2.gz VFZTWFKVTYLRFG-KGLIPLIRSA-N -1 1 378.440 1.721 20 0 GDADMM CCc1ccc(C(=O)N[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001571135601 952605673 /nfs/dbraw/zinc/60/56/73/952605673.db2.gz YNXWDWQNNZDEBP-HNNXBMFYSA-N -1 1 378.440 1.618 20 0 GDADMM CCc1ccc(C(=O)N[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001571135601 952605674 /nfs/dbraw/zinc/60/56/74/952605674.db2.gz YNXWDWQNNZDEBP-HNNXBMFYSA-N -1 1 378.440 1.618 20 0 GDADMM O=C(N[C@@H]1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C1C=CC=CC=C1 ZINC001571141023 952630628 /nfs/dbraw/zinc/63/06/28/952630628.db2.gz FRKKXMTZTRHLTC-UKRRQHHQSA-N -1 1 378.440 1.652 20 0 GDADMM O=C(N[C@@H]1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C1C=CC=CC=C1 ZINC001571141023 952630630 /nfs/dbraw/zinc/63/06/30/952630630.db2.gz FRKKXMTZTRHLTC-UKRRQHHQSA-N -1 1 378.440 1.652 20 0 GDADMM CN(C(=O)Cn1cc(C(F)(F)F)ccc1=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001571142518 952643069 /nfs/dbraw/zinc/64/30/69/952643069.db2.gz SZOJBHKKEPWBLW-UHFFFAOYSA-N -1 1 379.302 1.105 20 0 GDADMM CN(C(=O)Cn1cc(C(F)(F)F)ccc1=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001571142518 952643071 /nfs/dbraw/zinc/64/30/71/952643071.db2.gz SZOJBHKKEPWBLW-UHFFFAOYSA-N -1 1 379.302 1.105 20 0 GDADMM Cc1cnccc1C(=O)NC[C@@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571146284 952648424 /nfs/dbraw/zinc/64/84/24/952648424.db2.gz FNMODUWDEFVSRQ-ZDUSSCGKSA-N -1 1 379.428 1.149 20 0 GDADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@@H]1CCCN(C(=O)c2cccnc2)C1 ZINC001571146776 952652241 /nfs/dbraw/zinc/65/22/41/952652241.db2.gz BSTCGQJSNSWTGP-TZMCWYRMSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)c2cccnc2)C1 ZINC001571146776 952652244 /nfs/dbraw/zinc/65/22/44/952652244.db2.gz BSTCGQJSNSWTGP-TZMCWYRMSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@H](NC(=O)c1ccccn1)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571146805 952653388 /nfs/dbraw/zinc/65/33/88/952653388.db2.gz CORHWXMGWTWHPC-QWHCGFSZSA-N -1 1 379.428 1.087 20 0 GDADMM C[C@H](NC(=O)c1ccccn1)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571146805 952653392 /nfs/dbraw/zinc/65/33/92/952653392.db2.gz CORHWXMGWTWHPC-QWHCGFSZSA-N -1 1 379.428 1.087 20 0 GDADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1ccc(N2CCC(O)CC2)cc1 ZINC001571146987 952655219 /nfs/dbraw/zinc/65/52/19/952655219.db2.gz FPZJFHQGOWZJEB-UHFFFAOYSA-N -1 1 379.424 1.153 20 0 GDADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1ccc(N2CCC(O)CC2)cc1 ZINC001571146987 952655222 /nfs/dbraw/zinc/65/52/22/952655222.db2.gz FPZJFHQGOWZJEB-UHFFFAOYSA-N -1 1 379.424 1.153 20 0 GDADMM CC(C)c1ccc(C(=O)N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)cn1 ZINC001571147005 952655391 /nfs/dbraw/zinc/65/53/91/952655391.db2.gz GGLCXHOISRGKCT-UHFFFAOYSA-N -1 1 379.428 1.138 20 0 GDADMM CC(C)c1ccc(C(=O)N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)cn1 ZINC001571147005 952655395 /nfs/dbraw/zinc/65/53/95/952655395.db2.gz GGLCXHOISRGKCT-UHFFFAOYSA-N -1 1 379.428 1.138 20 0 GDADMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC001571147132 952658017 /nfs/dbraw/zinc/65/80/17/952658017.db2.gz GXJRRPCLZFXEHU-JSGCOSHPSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC001571147132 952658021 /nfs/dbraw/zinc/65/80/21/952658021.db2.gz GXJRRPCLZFXEHU-JSGCOSHPSA-N -1 1 379.428 1.405 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](NC(=O)c3cnccc3C)C2)n1 ZINC001571147204 952658838 /nfs/dbraw/zinc/65/88/38/952658838.db2.gz IXIFQQRDGILYOK-ZDUSSCGKSA-N -1 1 379.428 1.067 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](NC(=O)c3cnccc3C)C2)n1 ZINC001571147204 952658842 /nfs/dbraw/zinc/65/88/42/952658842.db2.gz IXIFQQRDGILYOK-ZDUSSCGKSA-N -1 1 379.428 1.067 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CC[C@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571147347 952660968 /nfs/dbraw/zinc/66/09/68/952660968.db2.gz KQFTYHNMZXLLJB-SFHVURJKSA-N -1 1 379.428 1.036 20 0 GDADMM CCc1cccc(C(=O)N[C@@]2(C)CCN(c3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571148277 952666478 /nfs/dbraw/zinc/66/64/78/952666478.db2.gz YAGOWAYOWPALCG-SFHVURJKSA-N -1 1 379.428 1.013 20 0 GDADMM CCc1cccc(C(=O)N[C@@]2(C)CCN(c3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571148277 952666479 /nfs/dbraw/zinc/66/64/79/952666479.db2.gz YAGOWAYOWPALCG-SFHVURJKSA-N -1 1 379.428 1.013 20 0 GDADMM Cn1nccc1C[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001571151007 952671774 /nfs/dbraw/zinc/67/17/74/952671774.db2.gz ITMNAGFFQGWMQL-NSHDSACASA-N -1 1 379.471 1.058 20 0 GDADMM Cn1nccc1C[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001571151007 952671776 /nfs/dbraw/zinc/67/17/76/952671776.db2.gz ITMNAGFFQGWMQL-NSHDSACASA-N -1 1 379.471 1.058 20 0 GDADMM O=C(c1ccncc1)N1CCCC[C@@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001571151414 952675826 /nfs/dbraw/zinc/67/58/26/952675826.db2.gz QAOFCKQISZWBBA-CQSZACIVSA-N -1 1 379.428 1.549 20 0 GDADMM O=C(c1ccncc1)N1CCCC[C@@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001571151414 952675830 /nfs/dbraw/zinc/67/58/30/952675830.db2.gz QAOFCKQISZWBBA-CQSZACIVSA-N -1 1 379.428 1.549 20 0 GDADMM CS[C@@H](C)C(=O)N1C[C@@H]2CN(c3snc(C)c3-c3nn[n-]n3)C[C@@H]2C1 ZINC001571152902 952684307 /nfs/dbraw/zinc/68/43/07/952684307.db2.gz KQUNYAKPPQZJCX-GARJFASQSA-N -1 1 379.515 1.278 20 0 GDADMM Cc1n[nH]cc1C(=O)N[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571153347 952686453 /nfs/dbraw/zinc/68/64/53/952686453.db2.gz PBBSHKQABQXSSH-SSDOTTSWSA-N -1 1 379.837 1.017 20 0 GDADMM CC1(C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3snc(Cl)c3-c3nnn[n-]3)C[C@H]21 ZINC001571153627 952687097 /nfs/dbraw/zinc/68/70/97/952687097.db2.gz SCLIWFHEEMJSQL-PYHGXSLLSA-N -1 1 379.877 1.574 20 0 GDADMM CC1(C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3snc(Cl)c3-c3nn[n-]n3)C[C@H]21 ZINC001571153627 952687098 /nfs/dbraw/zinc/68/70/98/952687098.db2.gz SCLIWFHEEMJSQL-PYHGXSLLSA-N -1 1 379.877 1.574 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)N(c3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001571156760 952705076 /nfs/dbraw/zinc/70/50/76/952705076.db2.gz IWCMRETUHOLKQN-TZMCWYRMSA-N -1 1 379.428 1.147 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)N(c3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001571156760 952705080 /nfs/dbraw/zinc/70/50/80/952705080.db2.gz IWCMRETUHOLKQN-TZMCWYRMSA-N -1 1 379.428 1.147 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H]3[C@@H]2CCCN3C(=O)[C@H]2CC23CC3)n1 ZINC001571169849 952779491 /nfs/dbraw/zinc/77/94/91/952779491.db2.gz PDUKDMASVBXQSZ-VHDGCEQUSA-N -1 1 380.456 1.335 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H]3[C@@H]2CCCN3C(=O)[C@H]2CC23CC3)n1 ZINC001571169849 952779495 /nfs/dbraw/zinc/77/94/95/952779495.db2.gz PDUKDMASVBXQSZ-VHDGCEQUSA-N -1 1 380.456 1.335 20 0 GDADMM CC(C)c1cc(C(=O)Nc2ncc3c(c2-c2nn[n-]n2)COCC3)cc(=O)[nH]1 ZINC001571171622 952795131 /nfs/dbraw/zinc/79/51/31/952795131.db2.gz UDHFCNJIDHOGOC-UHFFFAOYSA-N -1 1 381.396 1.811 20 0 GDADMM CN(C(=O)c1cnco1)[C@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571171724 952796865 /nfs/dbraw/zinc/79/68/65/952796865.db2.gz FEKNHKPNSAVMLG-ZETCQYMHSA-N -1 1 380.821 1.316 20 0 GDADMM CN(C(=O)c1cnco1)[C@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571171724 952796868 /nfs/dbraw/zinc/79/68/68/952796868.db2.gz FEKNHKPNSAVMLG-ZETCQYMHSA-N -1 1 380.821 1.316 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001571179895 952856884 /nfs/dbraw/zinc/85/68/84/952856884.db2.gz JPDGVKRUQAJIMS-KGLIPLIRSA-N -1 1 381.444 1.004 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001571179895 952856887 /nfs/dbraw/zinc/85/68/87/952856887.db2.gz JPDGVKRUQAJIMS-KGLIPLIRSA-N -1 1 381.444 1.004 20 0 GDADMM CC(C)c1[nH]ccc1C(=O)NC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1 ZINC001571181770 952866052 /nfs/dbraw/zinc/86/60/52/952866052.db2.gz YEXHOMRWBMYFOO-GFCCVEGCSA-N -1 1 381.444 1.507 20 0 GDADMM CC(C)c1[nH]ccc1C(=O)NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1 ZINC001571181770 952866056 /nfs/dbraw/zinc/86/60/56/952866056.db2.gz YEXHOMRWBMYFOO-GFCCVEGCSA-N -1 1 381.444 1.507 20 0 GDADMM CCCc1[nH]ccc1C(=O)N1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001571183473 952878790 /nfs/dbraw/zinc/87/87/90/952878790.db2.gz BEECZYGKNFQOQY-NEPJUHHUSA-N -1 1 381.444 1.074 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cc[nH]c2)[C@@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001571183705 952882379 /nfs/dbraw/zinc/88/23/79/952882379.db2.gz HVTRRRNAEIOXAI-SWLSCSKDSA-N -1 1 381.444 1.728 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cc[nH]c2)[C@@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001571183705 952882382 /nfs/dbraw/zinc/88/23/82/952882382.db2.gz HVTRRRNAEIOXAI-SWLSCSKDSA-N -1 1 381.444 1.728 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571184046 952887151 /nfs/dbraw/zinc/88/71/51/952887151.db2.gz PCSPXBKJWMCSMS-JOCQHMNTSA-N -1 1 381.444 1.082 20 0 GDADMM CC[C@@H]1CN(C(=O)c2cc[nH]c2C)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571184023 952887534 /nfs/dbraw/zinc/88/75/34/952887534.db2.gz OOQWVJSHZHZYAM-OCCSQVGLSA-N -1 1 381.444 1.068 20 0 GDADMM C[C@H](NC(=O)c1ccn(C)c1)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571184243 952890449 /nfs/dbraw/zinc/89/04/49/952890449.db2.gz UOTCFBUAQLEIEN-STQMWFEESA-N -1 1 381.444 1.030 20 0 GDADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCN(C(=O)c2cccn2C)C1 ZINC001571184398 952892764 /nfs/dbraw/zinc/89/27/64/952892764.db2.gz YJUNNLRGWHUBTN-STQMWFEESA-N -1 1 381.444 1.348 20 0 GDADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCN(C(=O)c2cccn2C)C1 ZINC001571184398 952892769 /nfs/dbraw/zinc/89/27/69/952892769.db2.gz YJUNNLRGWHUBTN-STQMWFEESA-N -1 1 381.444 1.348 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CCC[C@H]([C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571186062 952904222 /nfs/dbraw/zinc/90/42/22/952904222.db2.gz RAKZVGQUUSCSBM-STQMWFEESA-N -1 1 381.444 1.646 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CCC[C@H]([C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571186062 952904228 /nfs/dbraw/zinc/90/42/28/952904228.db2.gz RAKZVGQUUSCSBM-STQMWFEESA-N -1 1 381.444 1.646 20 0 GDADMM CCn1ccc(C(=O)N(C)[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)c1C ZINC001571186319 952906620 /nfs/dbraw/zinc/90/66/20/952906620.db2.gz WMTCYOPLAAPWHA-CYBMUJFWSA-N -1 1 381.444 1.137 20 0 GDADMM CCn1ccc(C(=O)N(C)[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)c1C ZINC001571186319 952906624 /nfs/dbraw/zinc/90/66/24/952906624.db2.gz WMTCYOPLAAPWHA-CYBMUJFWSA-N -1 1 381.444 1.137 20 0 GDADMM Cc1ccc(C(=O)N2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C(C)(C)C2)n1C ZINC001571189076 952923524 /nfs/dbraw/zinc/92/35/24/952923524.db2.gz RQMOTCSCVLLZQT-CQSZACIVSA-N -1 1 381.444 1.266 20 0 GDADMM Cc1ccc(C(=O)N2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C(C)(C)C2)n1C ZINC001571189076 952923530 /nfs/dbraw/zinc/92/35/30/952923530.db2.gz RQMOTCSCVLLZQT-CQSZACIVSA-N -1 1 381.444 1.266 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CCC([C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571189345 952927929 /nfs/dbraw/zinc/92/79/29/952927929.db2.gz VFNCHWKWWWCQFV-LBPRGKRZSA-N -1 1 381.444 1.646 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CCC([C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571189345 952927934 /nfs/dbraw/zinc/92/79/34/952927934.db2.gz VFNCHWKWWWCQFV-LBPRGKRZSA-N -1 1 381.444 1.646 20 0 GDADMM Cn1ccc(C(=O)N[C@@H]2CCCC[C@H]2CNc2nccnc2-c2nnn[n-]2)c1 ZINC001571189695 952933660 /nfs/dbraw/zinc/93/36/60/952933660.db2.gz RUQLDMVXTMKZRR-GXTWGEPZSA-N -1 1 381.444 1.396 20 0 GDADMM Cn1ccc(C(=O)N[C@@H]2CCCC[C@H]2CNc2nccnc2-c2nn[n-]n2)c1 ZINC001571189695 952933664 /nfs/dbraw/zinc/93/36/64/952933664.db2.gz RUQLDMVXTMKZRR-GXTWGEPZSA-N -1 1 381.444 1.396 20 0 GDADMM COc1cc(Cl)c(F)cc1NC(=O)NCCn1cnc(-c2nn[n-]n2)n1 ZINC001571191670 952946626 /nfs/dbraw/zinc/94/66/26/952946626.db2.gz QEEMVPMMDNRDLS-UHFFFAOYSA-N -1 1 381.759 1.081 20 0 GDADMM COc1ncc(NC(=O)CNC(=O)Nc2cccc(C)c2)cc1-c1nn[n-]n1 ZINC001571193998 952955814 /nfs/dbraw/zinc/95/58/14/952955814.db2.gz DJBVVDJBRYWQFC-UHFFFAOYSA-N -1 1 382.384 1.339 20 0 GDADMM O=C(C1CC1)N1CC[C@H](C(F)(F)F)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571194393 952962180 /nfs/dbraw/zinc/96/21/80/952962180.db2.gz LKJMCVZPTJYKSX-GXSJLCMTSA-N -1 1 382.350 1.258 20 0 GDADMM O=C(C1CC1)N1CC[C@H](C(F)(F)F)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571194393 952962183 /nfs/dbraw/zinc/96/21/83/952962183.db2.gz LKJMCVZPTJYKSX-GXSJLCMTSA-N -1 1 382.350 1.258 20 0 GDADMM Cc1ccc(F)c(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@@H]2C)c1 ZINC001571196032 952978626 /nfs/dbraw/zinc/97/86/26/952978626.db2.gz GUVSZJRVGFQXDG-FZMZJTMJSA-N -1 1 382.403 1.241 20 0 GDADMM C[C@H]1C[C@H]1C(=O)NCc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1F ZINC001571195788 952978846 /nfs/dbraw/zinc/97/88/46/952978846.db2.gz FZKZPRVZAQOXRR-GXFFZTMASA-N -1 1 382.403 1.680 20 0 GDADMM C[C@H]1C[C@H]1C(=O)NCc1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cc1F ZINC001571195788 952978849 /nfs/dbraw/zinc/97/88/49/952978849.db2.gz FZKZPRVZAQOXRR-GXFFZTMASA-N -1 1 382.403 1.680 20 0 GDADMM Cc1cc(F)cc(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)[C@@H]2C)c1 ZINC001571195794 952979130 /nfs/dbraw/zinc/97/91/30/952979130.db2.gz FZPFKQPKHDSFBY-RISCZKNCSA-N -1 1 382.403 1.501 20 0 GDADMM Cc1cc(F)cc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)[C@@H]2C)c1 ZINC001571195794 952979134 /nfs/dbraw/zinc/97/91/34/952979134.db2.gz FZPFKQPKHDSFBY-RISCZKNCSA-N -1 1 382.403 1.501 20 0 GDADMM Cc1ccc(F)c(CC(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571196951 952985710 /nfs/dbraw/zinc/98/57/10/952985710.db2.gz QQPWTRDATHMXBD-ZDUSSCGKSA-N -1 1 382.403 1.042 20 0 GDADMM Cc1ccc(F)c(CC(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571196951 952985715 /nfs/dbraw/zinc/98/57/15/952985715.db2.gz QQPWTRDATHMXBD-ZDUSSCGKSA-N -1 1 382.403 1.042 20 0 GDADMM Cc1cccc(C(=O)NC2CC(CNc3ccc(-c4nnn[n-]4)nn3)C2)c1F ZINC001571196940 952985975 /nfs/dbraw/zinc/98/59/75/952985975.db2.gz QFQUBYNDAFNCRW-UHFFFAOYSA-N -1 1 382.403 1.725 20 0 GDADMM Cc1cccc(C(=O)NC2CC(CNc3ccc(-c4nn[n-]n4)nn3)C2)c1F ZINC001571196940 952985980 /nfs/dbraw/zinc/98/59/80/952985980.db2.gz QFQUBYNDAFNCRW-UHFFFAOYSA-N -1 1 382.403 1.725 20 0 GDADMM CN(C[C@@H]1CCCN1C(=O)c1cccc(F)c1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571197338 952988646 /nfs/dbraw/zinc/98/86/46/952988646.db2.gz XFQWHZCJPXPULB-AWEZNQCLSA-N -1 1 382.403 1.537 20 0 GDADMM CN(C[C@@H]1CCCN1C(=O)c1cccc(F)c1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571197338 952988652 /nfs/dbraw/zinc/98/86/52/952988652.db2.gz XFQWHZCJPXPULB-AWEZNQCLSA-N -1 1 382.403 1.537 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@H]2C)ccc1F ZINC001571197368 952989618 /nfs/dbraw/zinc/98/96/18/952989618.db2.gz YAGPUOXPXDTNFQ-RISCZKNCSA-N -1 1 382.403 1.819 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@H]2C)ccc1F ZINC001571197368 952989624 /nfs/dbraw/zinc/98/96/24/952989624.db2.gz YAGPUOXPXDTNFQ-RISCZKNCSA-N -1 1 382.403 1.819 20 0 GDADMM CCc1occc1C(=O)N(C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571199421 952998761 /nfs/dbraw/zinc/99/87/61/952998761.db2.gz QHUGORFSXDSBLI-UHFFFAOYSA-N -1 1 382.428 1.553 20 0 GDADMM CCc1occc1C(=O)N(C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571199421 952998766 /nfs/dbraw/zinc/99/87/66/952998766.db2.gz QHUGORFSXDSBLI-UHFFFAOYSA-N -1 1 382.428 1.553 20 0 GDADMM C[C@@H]1CN(C(=O)CCc2ccco2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571199925 953004926 /nfs/dbraw/zinc/00/49/26/953004926.db2.gz CVRIDKYLPGXZIX-OLZOCXBDSA-N -1 1 382.428 1.389 20 0 GDADMM C[C@@H]1CN(C(=O)CCc2ccco2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571199925 953004930 /nfs/dbraw/zinc/00/49/30/953004930.db2.gz CVRIDKYLPGXZIX-OLZOCXBDSA-N -1 1 382.428 1.389 20 0 GDADMM CCCc1occc1C(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571200531 953009697 /nfs/dbraw/zinc/00/96/97/953009697.db2.gz JLAXKOFCUXZARU-GFCCVEGCSA-N -1 1 382.428 1.919 20 0 GDADMM CCCc1occc1C(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571200531 953009700 /nfs/dbraw/zinc/00/97/00/953009700.db2.gz JLAXKOFCUXZARU-GFCCVEGCSA-N -1 1 382.428 1.919 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@@H]([C@H](C)Nc3cncc(-c4nnn[n-]4)n3)C2)co1 ZINC001571200501 953009850 /nfs/dbraw/zinc/00/98/50/953009850.db2.gz CQHXJVMRIJJGBS-QWHCGFSZSA-N -1 1 382.428 1.911 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@@H]([C@H](C)Nc3cncc(-c4nn[n-]n4)n3)C2)co1 ZINC001571200501 953009856 /nfs/dbraw/zinc/00/98/56/953009856.db2.gz CQHXJVMRIJJGBS-QWHCGFSZSA-N -1 1 382.428 1.911 20 0 GDADMM Cc1cc(C(=O)NCC2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)oc1C ZINC001571200543 953010012 /nfs/dbraw/zinc/01/00/12/953010012.db2.gz DHEKOTCVLJSPJM-UHFFFAOYSA-N -1 1 382.428 1.513 20 0 GDADMM O=C(c1ccc(F)cc1)N1CCC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571201185 953016002 /nfs/dbraw/zinc/01/60/02/953016002.db2.gz PFHLCOPOQKJOKQ-LBPRGKRZSA-N -1 1 382.403 1.760 20 0 GDADMM O=C(c1ccc(F)cc1)N1CCC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571201185 953016008 /nfs/dbraw/zinc/01/60/08/953016008.db2.gz PFHLCOPOQKJOKQ-LBPRGKRZSA-N -1 1 382.403 1.760 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1)c1ccco1 ZINC001571201411 953017202 /nfs/dbraw/zinc/01/72/02/953017202.db2.gz PUFZCXLSMRZSSC-QWHCGFSZSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1)c1ccco1 ZINC001571201411 953017205 /nfs/dbraw/zinc/01/72/05/953017205.db2.gz PUFZCXLSMRZSSC-QWHCGFSZSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1ccco1 ZINC001571201891 953020382 /nfs/dbraw/zinc/02/03/82/953020382.db2.gz SNKZDYRSPUIOBK-CHWSQXEVSA-N -1 1 382.428 1.674 20 0 GDADMM C[C@@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1ccco1 ZINC001571201891 953020388 /nfs/dbraw/zinc/02/03/88/953020388.db2.gz SNKZDYRSPUIOBK-CHWSQXEVSA-N -1 1 382.428 1.674 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2CNc2cncc(-c3nnn[n-]3)n2)o1 ZINC001571202646 953028118 /nfs/dbraw/zinc/02/81/18/953028118.db2.gz WVYXXZGDOIJJDF-YPMHNXCESA-N -1 1 382.428 1.911 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2CNc2cncc(-c3nn[n-]n3)n2)o1 ZINC001571202646 953028125 /nfs/dbraw/zinc/02/81/25/953028125.db2.gz WVYXXZGDOIJJDF-YPMHNXCESA-N -1 1 382.428 1.911 20 0 GDADMM Cc1cc(C)c(C(=O)N2CCCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)o1 ZINC001571202894 953030744 /nfs/dbraw/zinc/03/07/44/953030744.db2.gz ZUFSWQKEDQGFKI-CYBMUJFWSA-N -1 1 382.428 1.973 20 0 GDADMM Cc1cc(C)c(C(=O)N2CCCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)o1 ZINC001571202894 953030748 /nfs/dbraw/zinc/03/07/48/953030748.db2.gz ZUFSWQKEDQGFKI-CYBMUJFWSA-N -1 1 382.428 1.973 20 0 GDADMM CC(C)n1cc(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@H]2C)cn1 ZINC001571205167 953035921 /nfs/dbraw/zinc/03/59/21/953035921.db2.gz GUUZCDAWZDZVHQ-YPMHNXCESA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1cc(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@H]2C)cn1 ZINC001571205167 953035923 /nfs/dbraw/zinc/03/59/23/953035923.db2.gz GUUZCDAWZDZVHQ-YPMHNXCESA-N -1 1 382.432 1.149 20 0 GDADMM O=C(Cc1ccco1)N1CCCC[C@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001571206603 953053105 /nfs/dbraw/zinc/05/31/05/953053105.db2.gz RMSUSJBOAVBKHZ-ZDUSSCGKSA-N -1 1 382.428 1.676 20 0 GDADMM O=C(Cc1ccco1)N1CCCC[C@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001571206603 953053106 /nfs/dbraw/zinc/05/31/06/953053106.db2.gz RMSUSJBOAVBKHZ-ZDUSSCGKSA-N -1 1 382.428 1.676 20 0 GDADMM C[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1CNC(=O)C1=CCCCCC1 ZINC001571211592 953078248 /nfs/dbraw/zinc/07/82/48/953078248.db2.gz CNIQQYWAXBJIFM-UKRRQHHQSA-N -1 1 382.472 1.736 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@]2(C)CCN(C(=O)C3CC4(CC4)C3)C2)n1 ZINC001571211573 953078842 /nfs/dbraw/zinc/07/88/42/953078842.db2.gz BXSFNDHVMMSRPZ-GOSISDBHSA-N -1 1 382.472 1.806 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@]2(C)CCN(C(=O)C3CC4(CC4)C3)C2)n1 ZINC001571211573 953078845 /nfs/dbraw/zinc/07/88/45/953078845.db2.gz BXSFNDHVMMSRPZ-GOSISDBHSA-N -1 1 382.472 1.806 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@]3(C)CN(C(=O)C4CC4)C[C@]3(C)C2)n1 ZINC001571211744 953080671 /nfs/dbraw/zinc/08/06/71/953080671.db2.gz DWWBQXGFAXTVNG-KDURUIRLSA-N -1 1 382.472 1.304 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@]3(C)CN(C(=O)C4CC4)C[C@]3(C)C2)n1 ZINC001571211744 953080675 /nfs/dbraw/zinc/08/06/75/953080675.db2.gz DWWBQXGFAXTVNG-KDURUIRLSA-N -1 1 382.472 1.304 20 0 GDADMM CC1(C(=O)N2CC[C@]3(C2)CCCN(c2nccnc2-c2nnn[n-]2)C3)CCC1 ZINC001571212030 953082740 /nfs/dbraw/zinc/08/27/40/953082740.db2.gz HNUAWIPGRKMUNU-LJQANCHMSA-N -1 1 382.472 1.666 20 0 GDADMM CC1(C(=O)N2CC[C@]3(C2)CCCN(c2nccnc2-c2nn[n-]n2)C3)CCC1 ZINC001571212030 953082746 /nfs/dbraw/zinc/08/27/46/953082746.db2.gz HNUAWIPGRKMUNU-LJQANCHMSA-N -1 1 382.472 1.666 20 0 GDADMM CCc1nc(N[C@@H]2CN(C(=O)[C@H]3CC34CC4)CC2(C)C)cc(-c2nnn[n-]2)n1 ZINC001571212099 953083501 /nfs/dbraw/zinc/08/35/01/953083501.db2.gz IWKXYZMUBOBJCF-DGCLKSJQSA-N -1 1 382.472 1.668 20 0 GDADMM CCc1nc(N[C@@H]2CN(C(=O)[C@H]3CC34CC4)CC2(C)C)cc(-c2nn[n-]n2)n1 ZINC001571212099 953083506 /nfs/dbraw/zinc/08/35/06/953083506.db2.gz IWKXYZMUBOBJCF-DGCLKSJQSA-N -1 1 382.472 1.668 20 0 GDADMM C[C@@H]1CN(C(=O)C23CCC(CC2)CC3)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571212422 953087947 /nfs/dbraw/zinc/08/79/47/953087947.db2.gz LLOSBUFNTMJOAH-CLXDAAKHSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@@H]1CN(C(=O)C23CCC(CC2)CC3)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571212422 953087951 /nfs/dbraw/zinc/08/79/51/953087951.db2.gz LLOSBUFNTMJOAH-CLXDAAKHSA-N -1 1 382.472 1.886 20 0 GDADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@@H]1CCCN(C(=O)C(C2CC2)C2CC2)C1 ZINC001571213233 953093344 /nfs/dbraw/zinc/09/33/44/953093344.db2.gz PXGGAYCAOOSNTP-CQSZACIVSA-N -1 1 382.472 1.520 20 0 GDADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)C(C2CC2)C2CC2)C1 ZINC001571213233 953093347 /nfs/dbraw/zinc/09/33/47/953093347.db2.gz PXGGAYCAOOSNTP-CQSZACIVSA-N -1 1 382.472 1.520 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H]3[C@H]2CCCN3C(=O)C2CCCC2)n1 ZINC001571213237 953093502 /nfs/dbraw/zinc/09/35/02/953093502.db2.gz PYCGWPZZFQDFRL-HZPDHXFCSA-N -1 1 382.472 1.725 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H]3[C@H]2CCCN3C(=O)C2CCCC2)n1 ZINC001571213237 953093507 /nfs/dbraw/zinc/09/35/07/953093507.db2.gz PYCGWPZZFQDFRL-HZPDHXFCSA-N -1 1 382.472 1.725 20 0 GDADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@@H]1CCN(C(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001571213321 953093994 /nfs/dbraw/zinc/09/39/94/953093994.db2.gz RGUZTKSATWXVDK-ZIAGYGMSSA-N -1 1 382.472 1.664 20 0 GDADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001571213321 953093998 /nfs/dbraw/zinc/09/39/98/953093998.db2.gz RGUZTKSATWXVDK-ZIAGYGMSSA-N -1 1 382.472 1.664 20 0 GDADMM C[C@@H](C(=O)N1CC[C@]2(C1)CCCN(c1cncc(-c3nnn[n-]3)n1)C2)C1CC1 ZINC001571214072 953099731 /nfs/dbraw/zinc/09/97/31/953099731.db2.gz WGFHFAQREYMXLC-BFUOFWGJSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H](C(=O)N1CC[C@]2(C1)CCCN(c1cncc(-c3nn[n-]n3)n1)C2)C1CC1 ZINC001571214072 953099735 /nfs/dbraw/zinc/09/97/35/953099735.db2.gz WGFHFAQREYMXLC-BFUOFWGJSA-N -1 1 382.472 1.522 20 0 GDADMM O=C(NC[C@@H]1CCCCCN1c1cnc(-c2nnn[n-]2)cn1)[C@@H]1C[C@H]1C1CC1 ZINC001571217626 953110279 /nfs/dbraw/zinc/11/02/79/953110279.db2.gz GKZASVLRQGCHRO-SOUVJXGZSA-N -1 1 382.472 1.568 20 0 GDADMM O=C(NC[C@@H]1CCCCCN1c1cnc(-c2nn[n-]n2)cn1)[C@@H]1C[C@H]1C1CC1 ZINC001571217626 953110280 /nfs/dbraw/zinc/11/02/80/953110280.db2.gz GKZASVLRQGCHRO-SOUVJXGZSA-N -1 1 382.472 1.568 20 0 GDADMM O=C(NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001571218449 953115030 /nfs/dbraw/zinc/11/50/30/953115030.db2.gz OAHZSXIHJDTAEX-ZNMIVQPWSA-N -1 1 382.472 1.426 20 0 GDADMM O=C(N[C@@H]1CCCN(c2cccc(F)c2-c2nn[nH]n2)C1)c1ncccc1[O-] ZINC001571218732 953119229 /nfs/dbraw/zinc/11/92/29/953119229.db2.gz ZWHMOUPUICGYQB-LLVKDONJSA-N -1 1 383.387 1.505 20 0 GDADMM O=C(NC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001571218836 953119840 /nfs/dbraw/zinc/11/98/40/953119840.db2.gz RWDPKHAZVOKDSL-ZQDZILKHSA-N -1 1 382.472 1.426 20 0 GDADMM O=C(NC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001571218836 953119842 /nfs/dbraw/zinc/11/98/42/953119842.db2.gz RWDPKHAZVOKDSL-ZQDZILKHSA-N -1 1 382.472 1.426 20 0 GDADMM O=C(N[C@@H]1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ncccc1F ZINC001571218902 953120541 /nfs/dbraw/zinc/12/05/41/953120541.db2.gz GMEBRNJJDRQFDL-GHMZBOCLSA-N -1 1 383.391 1.344 20 0 GDADMM O=C(N[C@@H]1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ncccc1F ZINC001571218902 953120546 /nfs/dbraw/zinc/12/05/46/953120546.db2.gz GMEBRNJJDRQFDL-GHMZBOCLSA-N -1 1 383.391 1.344 20 0 GDADMM COC(=O)C[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC001571218936 953121056 /nfs/dbraw/zinc/12/10/56/953121056.db2.gz HOIGYAFPWCXSNL-KOLCDFICSA-N -1 1 383.405 1.016 20 0 GDADMM O=C(CC(C1CC1)C1CC1)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571219095 953122392 /nfs/dbraw/zinc/12/23/92/953122392.db2.gz VCNBUVGMHUQTIO-CQSZACIVSA-N -1 1 382.472 1.886 20 0 GDADMM O=C(CC(C1CC1)C1CC1)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571219095 953122395 /nfs/dbraw/zinc/12/23/95/953122395.db2.gz VCNBUVGMHUQTIO-CQSZACIVSA-N -1 1 382.472 1.886 20 0 GDADMM O=C(c1cncc(F)c1)N1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571219393 953126129 /nfs/dbraw/zinc/12/61/29/953126129.db2.gz OCCMLBXFPBMNNI-NSHDSACASA-N -1 1 383.391 1.155 20 0 GDADMM O=C(c1cncc(F)c1)N1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571219393 953126131 /nfs/dbraw/zinc/12/61/31/953126131.db2.gz OCCMLBXFPBMNNI-NSHDSACASA-N -1 1 383.391 1.155 20 0 GDADMM O=C(N[C@@H]1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1ncccc1F ZINC001571219705 953126538 /nfs/dbraw/zinc/12/65/38/953126538.db2.gz QRGOGKXCQLGLPV-GHMZBOCLSA-N -1 1 383.391 1.201 20 0 GDADMM O=C(N[C@@H]1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1ncccc1F ZINC001571219705 953126542 /nfs/dbraw/zinc/12/65/42/953126542.db2.gz QRGOGKXCQLGLPV-GHMZBOCLSA-N -1 1 383.391 1.201 20 0 GDADMM CCc1noc(C)c1C(=O)N1C[C@@H](C)[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571222720 953137832 /nfs/dbraw/zinc/13/78/32/953137832.db2.gz KFUBLIZQUOHDAP-RNCFNFMXSA-N -1 1 383.416 1.088 20 0 GDADMM CCc1noc(C)c1C(=O)N1C[C@@H](C)[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571222720 953137834 /nfs/dbraw/zinc/13/78/34/953137834.db2.gz KFUBLIZQUOHDAP-RNCFNFMXSA-N -1 1 383.416 1.088 20 0 GDADMM CCc1nc(C)c(C(=O)N2CC[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)o1 ZINC001571223581 953145500 /nfs/dbraw/zinc/14/55/00/953145500.db2.gz WIJQCHZNUIOGPG-NSHDSACASA-N -1 1 383.416 1.090 20 0 GDADMM CCc1nc(C)c(C(=O)N2CC[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)o1 ZINC001571223581 953145501 /nfs/dbraw/zinc/14/55/01/953145501.db2.gz WIJQCHZNUIOGPG-NSHDSACASA-N -1 1 383.416 1.090 20 0 GDADMM Cc1ncoc1C(=O)NC1CCC(Nc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001571226382 953155538 /nfs/dbraw/zinc/15/55/38/953155538.db2.gz PNXQFPGXXXTPDU-UHFFFAOYSA-N -1 1 383.416 1.415 20 0 GDADMM Cc1ncoc1C(=O)NC1CCC(Nc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001571226382 953155539 /nfs/dbraw/zinc/15/55/39/953155539.db2.gz PNXQFPGXXXTPDU-UHFFFAOYSA-N -1 1 383.416 1.415 20 0 GDADMM Cc1nocc1C(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)[C@@H](C)C1 ZINC001571228388 953163838 /nfs/dbraw/zinc/16/38/38/953163838.db2.gz OCRYPHMAETYMJV-JQWIXIFHSA-N -1 1 383.416 1.163 20 0 GDADMM Cc1nocc1C(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)[C@@H](C)C1 ZINC001571228388 953163840 /nfs/dbraw/zinc/16/38/40/953163840.db2.gz OCRYPHMAETYMJV-JQWIXIFHSA-N -1 1 383.416 1.163 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1csc(C2CC2)n1 ZINC001571230900 953181218 /nfs/dbraw/zinc/18/12/18/953181218.db2.gz NBXYEATZOOIHMJ-MGCOHNPYSA-N -1 1 383.441 1.364 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1csc(C2CC2)n1 ZINC001571230900 953181223 /nfs/dbraw/zinc/18/12/23/953181223.db2.gz NBXYEATZOOIHMJ-MGCOHNPYSA-N -1 1 383.441 1.364 20 0 GDADMM C[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571234707 953204210 /nfs/dbraw/zinc/20/42/10/953204210.db2.gz GJEMAPYXDLGMQS-MAUMQABQSA-N -1 1 383.865 1.461 20 0 GDADMM C[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571234707 953204213 /nfs/dbraw/zinc/20/42/13/953204213.db2.gz GJEMAPYXDLGMQS-MAUMQABQSA-N -1 1 383.865 1.461 20 0 GDADMM C[C@H](Nc1nccnc1-c1nnn[n-]1)[C@@H]1CCCN(C(=O)CC(F)(F)F)C1 ZINC001571234742 953205182 /nfs/dbraw/zinc/20/51/82/953205182.db2.gz HPBMDSYOKPKYHO-VHSXEESVSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)[C@@H]1CCCN(C(=O)CC(F)(F)F)C1 ZINC001571234742 953205185 /nfs/dbraw/zinc/20/51/85/953205185.db2.gz HPBMDSYOKPKYHO-VHSXEESVSA-N -1 1 384.366 1.648 20 0 GDADMM CCC(=O)N1CC[C@@]2(C1)CN(c1nc(-c3nn[n-]n3)c(Cl)s1)CCO2 ZINC001571235036 953207499 /nfs/dbraw/zinc/20/74/99/953207499.db2.gz QRXUTVSDYLGPTL-CQSZACIVSA-N -1 1 383.865 1.194 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](NC(=O)c3cccs3)[C@H]2C)n1 ZINC001571244532 953264131 /nfs/dbraw/zinc/26/41/31/953264131.db2.gz AGRLCLQBMVWJLB-VXGBXAGGSA-N -1 1 384.469 1.814 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](NC(=O)c3cccs3)[C@H]2C)n1 ZINC001571244532 953264135 /nfs/dbraw/zinc/26/41/35/953264135.db2.gz AGRLCLQBMVWJLB-VXGBXAGGSA-N -1 1 384.469 1.814 20 0 GDADMM Cc1cc(C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)sc1C ZINC001571245255 953271640 /nfs/dbraw/zinc/27/16/40/953271640.db2.gz QOLLSBUVRMCHNQ-ZWNOBZJWSA-N -1 1 384.469 1.908 20 0 GDADMM Cc1cc(C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)sc1C ZINC001571245255 953271644 /nfs/dbraw/zinc/27/16/44/953271644.db2.gz QOLLSBUVRMCHNQ-ZWNOBZJWSA-N -1 1 384.469 1.908 20 0 GDADMM CC1(C)CN(c2cnc(-c3nnn[n-]3)cn2)CC[C@H]1NC(=O)c1ccsc1 ZINC001571245839 953277921 /nfs/dbraw/zinc/27/79/21/953277921.db2.gz MUTRSCQQARGAMA-CYBMUJFWSA-N -1 1 384.469 1.753 20 0 GDADMM CC1(C)CN(c2cnc(-c3nn[n-]n3)cn2)CC[C@H]1NC(=O)c1ccsc1 ZINC001571245839 953277925 /nfs/dbraw/zinc/27/79/25/953277925.db2.gz MUTRSCQQARGAMA-CYBMUJFWSA-N -1 1 384.469 1.753 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccsc1 ZINC001571246020 953279704 /nfs/dbraw/zinc/27/97/04/953279704.db2.gz QXOWJGKVTISMKA-AAEUAGOBSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccsc1 ZINC001571246020 953279705 /nfs/dbraw/zinc/27/97/05/953279705.db2.gz QXOWJGKVTISMKA-AAEUAGOBSA-N -1 1 384.469 1.925 20 0 GDADMM O=C(CCc1cccs1)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571247558 953283625 /nfs/dbraw/zinc/28/36/25/953283625.db2.gz AFYHNUCBUYWRBN-UHFFFAOYSA-N -1 1 384.469 1.754 20 0 GDADMM O=C(CCc1cccs1)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571247558 953283629 /nfs/dbraw/zinc/28/36/29/953283629.db2.gz AFYHNUCBUYWRBN-UHFFFAOYSA-N -1 1 384.469 1.754 20 0 GDADMM Cc1sccc1CC(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571247752 953285509 /nfs/dbraw/zinc/28/55/09/953285509.db2.gz DHQZYAYGEUOXQN-AULYBMBSSA-N -1 1 384.469 1.576 20 0 GDADMM Cc1sccc1CC(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571247752 953285510 /nfs/dbraw/zinc/28/55/10/953285510.db2.gz DHQZYAYGEUOXQN-AULYBMBSSA-N -1 1 384.469 1.576 20 0 GDADMM Cc1nsc(N[C@@H]2CN(C(=O)c3ccncc3)CC2(C)C)c1-c1nn[n-]n1 ZINC001571248417 953293864 /nfs/dbraw/zinc/29/38/64/953293864.db2.gz SVQTVEPUGZGNAM-GFCCVEGCSA-N -1 1 384.469 1.989 20 0 GDADMM CC1(C)CC(CC(=O)N[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CC2(C)C)C1 ZINC001571249109 953300430 /nfs/dbraw/zinc/30/04/30/953300430.db2.gz DHPCGALCNUXDBH-CYBMUJFWSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)C(=O)N1CCC[C@H]([C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571249242 953302727 /nfs/dbraw/zinc/30/27/27/953302727.db2.gz GPHBASZHYAGDQQ-KBPBESRZSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)(C)C(=O)N1CCC[C@H]([C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571249242 953302731 /nfs/dbraw/zinc/30/27/31/953302731.db2.gz GPHBASZHYAGDQQ-KBPBESRZSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)[C@]1(C)C[C@@H]1C(=O)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571250826 953313821 /nfs/dbraw/zinc/31/38/21/953313821.db2.gz TTXQWMUSTDLLRJ-KUHUBIRLSA-N -1 1 384.488 1.411 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@]3(C)CN(C(=O)C(C)C)C[C@]3(C)C2)n1 ZINC001571251995 953321964 /nfs/dbraw/zinc/32/19/64/953321964.db2.gz DUXFIIVOGAZINE-KDURUIRLSA-N -1 1 384.488 1.550 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@]3(C)CN(C(=O)C(C)C)C[C@]3(C)C2)n1 ZINC001571251995 953321970 /nfs/dbraw/zinc/32/19/70/953321970.db2.gz DUXFIIVOGAZINE-KDURUIRLSA-N -1 1 384.488 1.550 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](NC(=O)[C@H]3CC[C@H](C)CC3)C2)n1 ZINC001571252112 953323973 /nfs/dbraw/zinc/32/39/73/953323973.db2.gz HTHOYNVTXFGIQK-QEJZJMRPSA-N -1 1 384.488 1.876 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](NC(=O)[C@H]3CC[C@H](C)CC3)C2)n1 ZINC001571252112 953323975 /nfs/dbraw/zinc/32/39/75/953323975.db2.gz HTHOYNVTXFGIQK-QEJZJMRPSA-N -1 1 384.488 1.876 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)[C@H]1CCCC1(C)C)c1cncc(-c2nnn[n-]2)n1 ZINC001571252548 953329542 /nfs/dbraw/zinc/32/95/42/953329542.db2.gz PKQHYZRKTVIZFJ-ZIAGYGMSSA-N -1 1 384.488 1.910 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)[C@H]1CCCC1(C)C)c1cncc(-c2nn[n-]n2)n1 ZINC001571252548 953329546 /nfs/dbraw/zinc/32/95/46/953329546.db2.gz PKQHYZRKTVIZFJ-ZIAGYGMSSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CN(C(=O)c2cccc(Cl)c2)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571254340 953338139 /nfs/dbraw/zinc/33/81/39/953338139.db2.gz BXCLCQHTIXKOCH-YGRLFVJLSA-N -1 1 384.831 1.883 20 0 GDADMM C[C@@H]1CN(C(=O)c2cccc(Cl)c2)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571254340 953338144 /nfs/dbraw/zinc/33/81/44/953338144.db2.gz BXCLCQHTIXKOCH-YGRLFVJLSA-N -1 1 384.831 1.883 20 0 GDADMM Cc1ccc(Cl)cc1C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571255478 953349793 /nfs/dbraw/zinc/34/97/93/953349793.db2.gz LKRKTWFSPUDJSI-HAQNSBGRSA-N -1 1 384.831 1.991 20 0 GDADMM Cc1ccc(Cl)cc1C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571255478 953349797 /nfs/dbraw/zinc/34/97/97/953349797.db2.gz LKRKTWFSPUDJSI-HAQNSBGRSA-N -1 1 384.831 1.991 20 0 GDADMM CC(C)C[C@@H](CNC(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1)C(=O)[O-] ZINC000424420402 953480381 /nfs/dbraw/zinc/48/03/81/953480381.db2.gz ZRVHDXWRCCZBEB-INIZCTEOSA-N -1 1 398.548 1.659 20 0 GDADMM Cc1ccc(NC(=O)CN2C[C@@H](C(=O)[O-])CC[C@H]2C)cc1S(=O)(=O)N(C)C ZINC000566796544 953628260 /nfs/dbraw/zinc/62/82/60/953628260.db2.gz IGFAVCDPIZRWLB-KGLIPLIRSA-N -1 1 397.497 1.369 20 0 GDADMM O=C(CN1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)NC[C@H]1Cc2ccccc2O1 ZINC000575311479 953684552 /nfs/dbraw/zinc/68/45/52/953684552.db2.gz IGNWDNKFKIZRAL-CEXWTWQISA-N -1 1 380.444 1.907 20 0 GDADMM C[C@H]1CCC[C@H](NC(=O)CN2CCN(CC3(O)CCC(C(=O)[O-])CC3)CC2)C1 ZINC001589315970 953838618 /nfs/dbraw/zinc/83/86/18/953838618.db2.gz UPHZVLFXGTYDPN-LCUHEZEJSA-N -1 1 395.544 1.305 20 0 GDADMM O=C([O-])c1c[nH]nc1NC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC001594817425 953877000 /nfs/dbraw/zinc/87/70/00/953877000.db2.gz YKDBPIZCSGUMTD-UHFFFAOYSA-N -1 1 377.154 1.964 20 0 GDADMM O=C([O-])[C@@H]1CC(=O)N(C2CCN(Cc3ccc4c(c3)OC(F)(F)O4)CC2)C1 ZINC000641795280 953895626 /nfs/dbraw/zinc/89/56/26/953895626.db2.gz WLDPVJUHZCVPKU-GFCCVEGCSA-N -1 1 382.363 1.906 20 0 GDADMM O=C([O-])[C@H]1CC(=O)N(C2CCN(CC(=O)N(C3CC3)C3CCCC3)CC2)C1 ZINC000650499568 954016666 /nfs/dbraw/zinc/01/66/66/954016666.db2.gz WCSBNNZLMQMUKH-AWEZNQCLSA-N -1 1 377.485 1.318 20 0 GDADMM O=C([O-])[C@H](c1ccccc1)N1CC[C@@H](N[C@H](c2nnc[nH]2)c2ccccc2)C1=O ZINC001594843690 954108064 /nfs/dbraw/zinc/10/80/64/954108064.db2.gz HRIGTDGJNDYMDY-SQNIBIBYSA-N -1 1 391.431 1.911 20 0 GDADMM O=C([O-])CN1CC[C@@H](N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)C1=O ZINC000662206520 954380178 /nfs/dbraw/zinc/38/01/78/954380178.db2.gz QSTIQXCQNHXEKP-OAHLLOKOSA-N -1 1 397.834 1.815 20 0 GDADMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1Cc1nccn1CC(F)F ZINC001594896850 954573025 /nfs/dbraw/zinc/57/30/25/954573025.db2.gz TUDPPZQVFKZGAZ-KCJUWKMLSA-N -1 1 384.305 1.244 20 0 GDADMM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C[C@@H]3CN(c4ccccc4)C(=O)O3)CC2)C1 ZINC001594898961 954599989 /nfs/dbraw/zinc/59/99/89/954599989.db2.gz WITWKRWLEMSKHQ-RHSMWYFYSA-N -1 1 387.436 1.409 20 0 GDADMM CC[C@@H](CNC(=O)c1cn[nH]c1[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001589550623 955212394 /nfs/dbraw/zinc/21/23/94/955212394.db2.gz AGLDQDQTBGSDQQ-NWDGAFQWSA-N -1 1 380.445 1.975 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])cc1F ZINC000851700823 955814888 /nfs/dbraw/zinc/81/48/88/955814888.db2.gz PYPOXVGEEVBVIT-VXGBXAGGSA-N -1 1 376.306 1.870 20 0 GDADMM CC(C)(C)c1cc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])no1 ZINC000851703861 955828897 /nfs/dbraw/zinc/82/88/97/955828897.db2.gz QFCRZHAPQGIUSN-KWQFWETISA-N -1 1 391.346 1.708 20 0 GDADMM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccnc(C2CC2)n1 ZINC000851704499 955830342 /nfs/dbraw/zinc/83/03/42/955830342.db2.gz XBWPMKZBQZCQMW-ONGXEEELSA-N -1 1 386.330 1.090 20 0 GDADMM COc1ccc(F)cc1C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000852957675 955887914 /nfs/dbraw/zinc/88/79/14/955887914.db2.gz RIOCKTHMBVYWPQ-JQWIXIFHSA-N -1 1 392.305 1.571 20 0 GDADMM Cc1cncc(/C=C\C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])c1 ZINC000852958569 955892532 /nfs/dbraw/zinc/89/25/32/955892532.db2.gz NVQIRAYTTBCRFO-IXHFBFRBSA-N -1 1 385.342 1.526 20 0 GDADMM CCc1csc(CC(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])n1 ZINC000852958837 955896230 /nfs/dbraw/zinc/89/62/30/955896230.db2.gz UBOYSWNMAOQULH-BXKDBHETSA-N -1 1 393.387 1.371 20 0 GDADMM COc1ccccc1N1CC[C@H](N2C[C@H](C(=O)[O-])C[C@H](c3cnn(C)c3)C2)C1=O ZINC000873645388 956087761 /nfs/dbraw/zinc/08/77/61/956087761.db2.gz MNEIENXLEDDUGV-DAYGRLMNSA-N -1 1 398.463 1.724 20 0 GDADMM C[C@H](NCCS(=O)(=O)CC(=O)[O-])c1ccc(NC(=O)c2ccncc2)cc1 ZINC001589129243 956187736 /nfs/dbraw/zinc/18/77/36/956187736.db2.gz 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DNDMYISZKHGALM-UHFFFAOYSA-N -1 1 388.409 1.083 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H]2C[C@H]2c2c(F)cccc2Cl)n(C)c1=O ZINC000737596461 598972293 /nfs/dbraw/zinc/97/22/93/598972293.db2.gz NTSHPYGJRALTGU-XCBNKYQSSA-N -1 1 391.794 1.025 20 0 GDADMM O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738104120 598985032 /nfs/dbraw/zinc/98/50/32/598985032.db2.gz TYLOOTLLVGLELW-UHFFFAOYSA-N -1 1 391.435 1.818 20 0 GDADMM O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738104120 598985033 /nfs/dbraw/zinc/98/50/33/598985033.db2.gz TYLOOTLLVGLELW-UHFFFAOYSA-N -1 1 391.435 1.818 20 0 GDADMM CCC[C@H](O)CC(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000736435697 599016734 /nfs/dbraw/zinc/01/67/34/599016734.db2.gz NLDHALXOAAUDBK-ZDUSSCGKSA-N -1 1 399.411 1.085 20 0 GDADMM CCC[C@H](O)CC(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736435697 599016735 /nfs/dbraw/zinc/01/67/35/599016735.db2.gz NLDHALXOAAUDBK-ZDUSSCGKSA-N -1 1 399.411 1.085 20 0 GDADMM COc1ccc(F)cc1CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000737100000 599019740 /nfs/dbraw/zinc/01/97/40/599019740.db2.gz SAVFPLXIZWIIPE-UHFFFAOYSA-N -1 1 397.414 1.367 20 0 GDADMM COc1ccc(F)cc1CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000737100000 599019742 /nfs/dbraw/zinc/01/97/42/599019742.db2.gz SAVFPLXIZWIIPE-UHFFFAOYSA-N -1 1 397.414 1.367 20 0 GDADMM C[C@H]1C[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C(=O)N1c1cnn(C)c1 ZINC000820668144 599097920 /nfs/dbraw/zinc/09/79/20/599097920.db2.gz QDOGDYNXUAPVQM-XPUUQOCRSA-N -1 1 379.837 1.316 20 0 GDADMM C[C@H]1C[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C(=O)N1c1cnn(C)c1 ZINC000820668144 599097922 /nfs/dbraw/zinc/09/79/22/599097922.db2.gz QDOGDYNXUAPVQM-XPUUQOCRSA-N -1 1 379.837 1.316 20 0 GDADMM COC(=O)c1cccn2cc(COC(=O)c3ccc(-c4nnn[n-]4)nc3)nc12 ZINC000736957434 599132299 /nfs/dbraw/zinc/13/22/99/599132299.db2.gz PGLSIOFHQFZQAG-UHFFFAOYSA-N -1 1 379.336 1.053 20 0 GDADMM COC(=O)c1cccn2cc(COC(=O)c3ccc(-c4nn[n-]n4)nc3)nc12 ZINC000736957434 599132301 /nfs/dbraw/zinc/13/23/01/599132301.db2.gz PGLSIOFHQFZQAG-UHFFFAOYSA-N -1 1 379.336 1.053 20 0 GDADMM C[C@H](CNC(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000736157685 599138240 /nfs/dbraw/zinc/13/82/40/599138240.db2.gz KWCWIKPKXYOXDN-OLZOCXBDSA-N -1 1 380.408 1.727 20 0 GDADMM C[C@H](CNC(=O)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000736157685 599138243 /nfs/dbraw/zinc/13/82/43/599138243.db2.gz KWCWIKPKXYOXDN-OLZOCXBDSA-N -1 1 380.408 1.727 20 0 GDADMM C[C@@H]1CCc2ccccc2N1C(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736278176 599142387 /nfs/dbraw/zinc/14/23/87/599142387.db2.gz DTQBBCHWYSULLB-GFCCVEGCSA-N -1 1 378.392 1.786 20 0 GDADMM C[C@@H]1CCc2ccccc2N1C(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736278176 599142389 /nfs/dbraw/zinc/14/23/89/599142389.db2.gz DTQBBCHWYSULLB-GFCCVEGCSA-N -1 1 378.392 1.786 20 0 GDADMM COc1ccc(-c2nc(S[C@@H]3CCN(C)C3=O)[nH]c(=O)c2-c2nn[n-]n2)cc1 ZINC000737055176 599158751 /nfs/dbraw/zinc/15/87/51/599158751.db2.gz ADOAOMIPEGDEDK-LLVKDONJSA-N -1 1 399.436 1.361 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCCC(F)(F)F ZINC000822459800 599216461 /nfs/dbraw/zinc/21/64/61/599216461.db2.gz XBKNFWZUHJJSFV-UHFFFAOYSA-N -1 1 382.350 1.527 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCCC(F)(F)F ZINC000822459800 599216463 /nfs/dbraw/zinc/21/64/63/599216463.db2.gz XBKNFWZUHJJSFV-UHFFFAOYSA-N -1 1 382.350 1.527 20 0 GDADMM O=C([O-])[C@H]1CC(C(=O)Nc2nc(-c3ccccn3)n[nH]2)=NN1c1ccccc1 ZINC000740478529 596966395 /nfs/dbraw/zinc/96/63/95/596966395.db2.gz SJUDWDQWBBAMJV-CQSZACIVSA-N -1 1 377.364 1.525 20 0 GDADMM Cc1cc([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)n(-c2ccncc2)n1 ZINC000822209775 599234255 /nfs/dbraw/zinc/23/42/55/599234255.db2.gz WGSGEPFHDYWIGR-UHFFFAOYSA-N -1 1 382.409 1.557 20 0 GDADMM COc1cc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc(NS(C)(=O)=O)c1OC ZINC000262640053 597105679 /nfs/dbraw/zinc/10/56/79/597105679.db2.gz HDKZHQNAANUSLN-LBPRGKRZSA-N -1 1 388.442 1.304 20 0 GDADMM O=C(NCCn1cnc(-c2nn[n-]n2)n1)c1cccnc1Oc1ccccc1 ZINC000823229407 607304891 /nfs/dbraw/zinc/30/48/91/607304891.db2.gz PRLXGKDZWICTSH-UHFFFAOYSA-N -1 1 377.368 1.076 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCS[C@@H](c2ccccc2)C1 ZINC000738355248 599275207 /nfs/dbraw/zinc/27/52/07/599275207.db2.gz LTXBSIGQIWJPFR-OAHLLOKOSA-N -1 1 388.478 1.741 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCS[C@@H](c2ccccc2)C1 ZINC000738355248 599275210 /nfs/dbraw/zinc/27/52/10/599275210.db2.gz LTXBSIGQIWJPFR-OAHLLOKOSA-N -1 1 388.478 1.741 20 0 GDADMM COc1cccc([C@H](CNC(=O)C(=O)Nc2ccccc2C(=O)[O-])N(C)C)c1 ZINC000820858891 598172841 /nfs/dbraw/zinc/17/28/41/598172841.db2.gz ZKFRUIOPHHOXED-KRWDZBQOSA-N -1 1 385.420 1.751 20 0 GDADMM O=C([O-])c1ccccc1NC(=O)C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000821474801 598173671 /nfs/dbraw/zinc/17/36/71/598173671.db2.gz MZMJHFJQBAPCCN-UHFFFAOYSA-N -1 1 382.420 1.499 20 0 GDADMM CC[C@H](C)[C@H](NCC(=O)N1CCC(NC(=O)c2ccccc2C)CC1)C(=O)[O-] ZINC000820459607 598187240 /nfs/dbraw/zinc/18/72/40/598187240.db2.gz IXACKUHCNQWQGO-LIRRHRJNSA-N -1 1 389.496 1.805 20 0 GDADMM COc1cccc([C@@H]2[C@@H](NC(=O)N3CCO[C@H](C(=O)[O-])C3)CCN2C2CC2)c1 ZINC000820865786 598209233 /nfs/dbraw/zinc/20/92/33/598209233.db2.gz YWCKUJMZXNBLQT-OKZBNKHCSA-N -1 1 389.452 1.468 20 0 GDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000737489613 598257640 /nfs/dbraw/zinc/25/76/40/598257640.db2.gz ZRTVWTQGNJYVPR-SNVBAGLBSA-N -1 1 392.423 1.652 20 0 GDADMM Cc1cc(=O)oc2cc(OS(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)ccc12 ZINC000737231332 598259580 /nfs/dbraw/zinc/25/95/80/598259580.db2.gz OAEKAEHRZAKANY-UHFFFAOYSA-N -1 1 385.361 1.444 20 0 GDADMM Cc1cc(=O)oc2cc(OS(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)ccc12 ZINC000737231332 598259581 /nfs/dbraw/zinc/25/95/81/598259581.db2.gz OAEKAEHRZAKANY-UHFFFAOYSA-N -1 1 385.361 1.444 20 0 GDADMM COc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737073978 598260937 /nfs/dbraw/zinc/26/09/37/598260937.db2.gz DCDUVFTXAASZDE-MRXNPFEDSA-N -1 1 386.437 1.796 20 0 GDADMM COc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737073978 598260939 /nfs/dbraw/zinc/26/09/39/598260939.db2.gz DCDUVFTXAASZDE-MRXNPFEDSA-N -1 1 386.437 1.796 20 0 GDADMM O=S(=O)(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738343007 598262862 /nfs/dbraw/zinc/26/28/62/598262862.db2.gz OCVCQADOHSLXFY-DTWKUNHWSA-N -1 1 376.364 1.661 20 0 GDADMM O=S(=O)(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738343007 598262863 /nfs/dbraw/zinc/26/28/63/598262863.db2.gz OCVCQADOHSLXFY-DTWKUNHWSA-N -1 1 376.364 1.661 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)O[C@@H](C(=O)N(C)C)C(C)C ZINC000737200359 598287962 /nfs/dbraw/zinc/28/79/62/598287962.db2.gz LQKNRKNMIOEAHX-OAHLLOKOSA-N -1 1 390.444 1.173 20 0 GDADMM COC(=O)CSCCNC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000736930813 598310075 /nfs/dbraw/zinc/31/00/75/598310075.db2.gz LSHFEYILIDWRQG-UHFFFAOYSA-N -1 1 390.425 1.195 20 0 GDADMM COC(=O)CSCCNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000736930813 598310077 /nfs/dbraw/zinc/31/00/77/598310077.db2.gz LSHFEYILIDWRQG-UHFFFAOYSA-N -1 1 390.425 1.195 20 0 GDADMM c1oc(CN2CCN(c3nccnc3-c3nnn[n-]3)CC2)nc1-c1ccccc1 ZINC000738420755 598337549 /nfs/dbraw/zinc/33/75/49/598337549.db2.gz KFWYBROCNUABFG-UHFFFAOYSA-N -1 1 389.423 1.634 20 0 GDADMM c1oc(CN2CCN(c3nccnc3-c3nn[n-]n3)CC2)nc1-c1ccccc1 ZINC000738420755 598337550 /nfs/dbraw/zinc/33/75/50/598337550.db2.gz KFWYBROCNUABFG-UHFFFAOYSA-N -1 1 389.423 1.634 20 0 GDADMM CCOc1ccc(Nc2nccnc2-c2nnn[n-]2)cc1S(=O)(=O)N(C)C ZINC000736646848 598338462 /nfs/dbraw/zinc/33/84/62/598338462.db2.gz LIMRFKFKHHLTDZ-UHFFFAOYSA-N -1 1 390.429 1.049 20 0 GDADMM CCOc1ccc(Nc2nccnc2-c2nn[n-]n2)cc1S(=O)(=O)N(C)C ZINC000736646848 598338465 /nfs/dbraw/zinc/33/84/65/598338465.db2.gz LIMRFKFKHHLTDZ-UHFFFAOYSA-N -1 1 390.429 1.049 20 0 GDADMM O=S(=O)(c1ccc(CNc2nccnc2-c2nnn[n-]2)cc1)N1CCCC1 ZINC000738355821 598346282 /nfs/dbraw/zinc/34/62/82/598346282.db2.gz URKYDXZWMFUCNZ-UHFFFAOYSA-N -1 1 386.441 1.053 20 0 GDADMM O=S(=O)(c1ccc(CNc2nccnc2-c2nn[n-]n2)cc1)N1CCCC1 ZINC000738355821 598346284 /nfs/dbraw/zinc/34/62/84/598346284.db2.gz URKYDXZWMFUCNZ-UHFFFAOYSA-N -1 1 386.441 1.053 20 0 GDADMM C[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1csc2ccccc21 ZINC000736139796 598362979 /nfs/dbraw/zinc/36/29/79/598362979.db2.gz RBNWUAYWKDPVTF-SECBINFHSA-N -1 1 383.437 1.652 20 0 GDADMM CCc1nn(C[C@@H](O)COc2ccc(C)cc2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705438 598374006 /nfs/dbraw/zinc/37/40/06/598374006.db2.gz IJBCDHWRSNPIDP-CQSZACIVSA-N -1 1 398.467 1.605 20 0 GDADMM CCc1nn(CC(=O)N2CCc3ccccc3C2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705323 598377877 /nfs/dbraw/zinc/37/78/77/598377877.db2.gz GEPWPQWCRBJOAU-UHFFFAOYSA-N -1 1 393.451 1.133 20 0 GDADMM CCc1nn(CC(=O)Nc2cc(C)cc(C)c2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705634 598379731 /nfs/dbraw/zinc/37/97/31/598379731.db2.gz LXJRMYBXRJASBZ-UHFFFAOYSA-N -1 1 381.440 1.804 20 0 GDADMM Clc1ccccc1[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N1CCOCC1 ZINC000737584388 598385550 /nfs/dbraw/zinc/38/55/50/598385550.db2.gz PSTODETWFFRIQU-HNNXBMFYSA-N -1 1 386.847 1.796 20 0 GDADMM Clc1ccccc1[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N1CCOCC1 ZINC000737584388 598385552 /nfs/dbraw/zinc/38/55/52/598385552.db2.gz PSTODETWFFRIQU-HNNXBMFYSA-N -1 1 386.847 1.796 20 0 GDADMM Cc1nc(C)c([C@H](C)N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)s1 ZINC000737474523 598409243 /nfs/dbraw/zinc/40/92/43/598409243.db2.gz RVOPBSHYWADRAS-VIFPVBQESA-N -1 1 379.471 1.717 20 0 GDADMM Cc1nc(C)c([C@H](C)N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)s1 ZINC000737474523 598409245 /nfs/dbraw/zinc/40/92/45/598409245.db2.gz RVOPBSHYWADRAS-VIFPVBQESA-N -1 1 379.471 1.717 20 0 GDADMM NS(=O)(=O)Cc1cccc(CNc2snc(Cl)c2-c2nnn[n-]2)c1 ZINC000737766783 598421145 /nfs/dbraw/zinc/42/11/45/598421145.db2.gz WMYCQTNQFDSUBW-UHFFFAOYSA-N -1 1 385.862 1.377 20 0 GDADMM NS(=O)(=O)Cc1cccc(CNc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000737766783 598421146 /nfs/dbraw/zinc/42/11/46/598421146.db2.gz WMYCQTNQFDSUBW-UHFFFAOYSA-N -1 1 385.862 1.377 20 0 GDADMM CCC(=O)COC(=O)CSc1[nH]c(=O)cc(C(F)(F)F)c1-c1nn[n-]n1 ZINC000736304726 598424508 /nfs/dbraw/zinc/42/45/08/598424508.db2.gz PINHJZLWWSYVEG-UHFFFAOYSA-N -1 1 391.331 1.601 20 0 GDADMM Cc1nn(Cc2nnc(-c3ccc(Cl)cc3)o2)c(=O)c(-c2nn[n-]n2)c1C ZINC000737524342 598473095 /nfs/dbraw/zinc/47/30/95/598473095.db2.gz YAAUTSHTBCXGLP-UHFFFAOYSA-N -1 1 384.787 1.792 20 0 GDADMM CS(=O)(=O)c1cccc([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000737173700 598512659 /nfs/dbraw/zinc/51/26/59/598512659.db2.gz MDBXAAZJFWUJPE-UHFFFAOYSA-N -1 1 379.423 1.071 20 0 GDADMM C[C@H]1C[C@@H]1NC(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000736241405 598528669 /nfs/dbraw/zinc/52/86/69/598528669.db2.gz XORYVVWEDPNPEU-QWRGUYRKSA-N -1 1 384.400 1.355 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCC(C)(C)c2ccccc2Cl)n(C)c1=O ZINC000737597149 598553484 /nfs/dbraw/zinc/55/34/84/598553484.db2.gz QJJVJOQIEFCGBW-UHFFFAOYSA-N -1 1 389.847 1.307 20 0 GDADMM O=C1OC(c2ccc(F)cc2)=NC1=Cc1cnc2c(-c3nnn[n-]3)cnn2c1 ZINC000738317348 598567258 /nfs/dbraw/zinc/56/72/58/598567258.db2.gz CXXKXRNGPPWWKB-WLRTZDKTSA-N -1 1 376.311 1.393 20 0 GDADMM O=C1OC(c2ccc(F)cc2)=NC1=Cc1cnc2c(-c3nn[n-]n3)cnn2c1 ZINC000738317348 598567259 /nfs/dbraw/zinc/56/72/59/598567259.db2.gz CXXKXRNGPPWWKB-WLRTZDKTSA-N -1 1 376.311 1.393 20 0 GDADMM O=C(NCC(F)(F)F)C1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000738037694 598573529 /nfs/dbraw/zinc/57/35/29/598573529.db2.gz HZKNBEBRNBCYIV-UHFFFAOYSA-N -1 1 389.769 1.810 20 0 GDADMM O=C(NCC(F)(F)F)C1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000738037694 598573530 /nfs/dbraw/zinc/57/35/30/598573530.db2.gz HZKNBEBRNBCYIV-UHFFFAOYSA-N -1 1 389.769 1.810 20 0 GDADMM CCc1nn(Cc2nc(-c3cccs3)no2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706590 598640164 /nfs/dbraw/zinc/64/01/64/598640164.db2.gz MRBVPXZUTVBTEE-UHFFFAOYSA-N -1 1 384.425 1.708 20 0 GDADMM O=c1c(-c2nn[n-]n2)cccn1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000738372868 598677704 /nfs/dbraw/zinc/67/77/04/598677704.db2.gz XAWLTMOMJZZBAF-UHFFFAOYSA-N -1 1 390.157 1.482 20 0 GDADMM Cc1ccc(C(N)=O)c(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737320778 598689096 /nfs/dbraw/zinc/68/90/96/598689096.db2.gz UQLOOBZUGMVYBR-UHFFFAOYSA-N -1 1 377.357 1.181 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCn2c3ccccc3nc21 ZINC000738354664 598689448 /nfs/dbraw/zinc/68/94/48/598689448.db2.gz ISZSHNRYADFYAZ-UHFFFAOYSA-N -1 1 385.384 1.564 20 0 GDADMM O=S(=O)(N[C@H](c1ccccc1)c1cccnc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738330217 598710684 /nfs/dbraw/zinc/71/06/84/598710684.db2.gz RCUMZYOQERZDHB-QGZVFWFLSA-N -1 1 393.432 1.725 20 0 GDADMM O=S(=O)(N[C@H](c1ccccc1)c1cccnc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738330217 598710685 /nfs/dbraw/zinc/71/06/85/598710685.db2.gz RCUMZYOQERZDHB-QGZVFWFLSA-N -1 1 393.432 1.725 20 0 GDADMM CCc1nc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)no1 ZINC000736697672 599293279 /nfs/dbraw/zinc/29/32/79/599293279.db2.gz AFYWWRXBUSJLAB-LBPRGKRZSA-N -1 1 393.404 1.477 20 0 GDADMM Cc1nccc(NC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)n1 ZINC000737503367 599299418 /nfs/dbraw/zinc/29/94/18/599299418.db2.gz UZRRAXOROZKODQ-UHFFFAOYSA-N -1 1 378.400 1.196 20 0 GDADMM Cc1nccc(NC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)n1 ZINC000737503367 599299420 /nfs/dbraw/zinc/29/94/20/599299420.db2.gz UZRRAXOROZKODQ-UHFFFAOYSA-N -1 1 378.400 1.196 20 0 GDADMM O=C1OC(c2cc3ccccc3[nH]2)=NC1=Cc1cnc2c(-c3nnn[n-]3)cnn2c1 ZINC000823546708 599310295 /nfs/dbraw/zinc/31/02/95/599310295.db2.gz DTFQDYDTHVLBGJ-PJQLUOCWSA-N -1 1 397.358 1.735 20 0 GDADMM O=C1OC(c2cc3ccccc3[nH]2)=NC1=Cc1cnc2c(-c3nn[n-]n3)cnn2c1 ZINC000823546708 599310297 /nfs/dbraw/zinc/31/02/97/599310297.db2.gz DTFQDYDTHVLBGJ-PJQLUOCWSA-N -1 1 397.358 1.735 20 0 GDADMM C[C@H](Oc1cccc(Br)c1)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000820536446 599316006 /nfs/dbraw/zinc/31/60/06/599316006.db2.gz UAQAQPCKXFEVNC-ZETCQYMHSA-N -1 1 378.190 1.516 20 0 GDADMM C[C@@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)cc1F ZINC000820274095 599373968 /nfs/dbraw/zinc/37/39/68/599373968.db2.gz DKAQFVSTRXDHAL-VIFPVBQESA-N -1 1 380.380 1.622 20 0 GDADMM C[C@@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)cc1F ZINC000820274095 599373971 /nfs/dbraw/zinc/37/39/71/599373971.db2.gz DKAQFVSTRXDHAL-VIFPVBQESA-N -1 1 380.380 1.622 20 0 GDADMM COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)N[C@H]1c1ccc(-c2nnn[n-]2)o1 ZINC000821653784 599493303 /nfs/dbraw/zinc/49/33/03/599493303.db2.gz KUQZCZVSUQGUBT-HZMBPMFUSA-N -1 1 388.384 1.152 20 0 GDADMM COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)N[C@H]1c1ccc(-c2nn[n-]n2)o1 ZINC000821653784 599493306 /nfs/dbraw/zinc/49/33/06/599493306.db2.gz KUQZCZVSUQGUBT-HZMBPMFUSA-N -1 1 388.384 1.152 20 0 GDADMM CC[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccc(F)cc1F ZINC000736371623 599528396 /nfs/dbraw/zinc/52/83/96/599528396.db2.gz XRHPKRFJFRYULR-LLVKDONJSA-N -1 1 377.355 1.106 20 0 GDADMM Cc1cc(S(=O)(=O)NCCNc2cccc(-c3nnn[n-]3)n2)c(C)s1 ZINC000822211859 607384031 /nfs/dbraw/zinc/38/40/31/607384031.db2.gz QUTJBPUKNPKBBM-UHFFFAOYSA-N -1 1 379.471 1.330 20 0 GDADMM Cc1cc(S(=O)(=O)NCCNc2cccc(-c3nn[n-]n3)n2)c(C)s1 ZINC000822211859 607384033 /nfs/dbraw/zinc/38/40/33/607384033.db2.gz QUTJBPUKNPKBBM-UHFFFAOYSA-N -1 1 379.471 1.330 20 0 GDADMM COc1ccccc1[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000737146117 599597306 /nfs/dbraw/zinc/59/73/06/599597306.db2.gz FZRVASRPIWVQEL-LBPRGKRZSA-N -1 1 386.437 1.449 20 0 GDADMM COc1ccccc1[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000737146117 599597307 /nfs/dbraw/zinc/59/73/07/599597307.db2.gz FZRVASRPIWVQEL-LBPRGKRZSA-N -1 1 386.437 1.449 20 0 GDADMM Cc1cc(=O)[nH]c(-c2cccc(OC(=O)c3ccc(-c4nn[n-]n4)nc3)c2)n1 ZINC000822152083 599625740 /nfs/dbraw/zinc/62/57/40/599625740.db2.gz FJLMBLSWGKDVGQ-UHFFFAOYSA-N -1 1 375.348 1.952 20 0 GDADMM Cc1[nH]nc2ncc(C(=O)OCC(=O)Nc3oc(C)c(C)c3-c3nn[n-]n3)cc12 ZINC000822548378 599657115 /nfs/dbraw/zinc/65/71/15/599657115.db2.gz JWXQOTNBOMJWRP-UHFFFAOYSA-N -1 1 396.367 1.452 20 0 GDADMM CC(C)(C)OC(=O)N1CCC(=O)[C@H](OC(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000819933464 599658705 /nfs/dbraw/zinc/65/87/05/599658705.db2.gz SNYXPIPOJBGZTC-LLVKDONJSA-N 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Cc1ccc(N2CCC[C@H](N(C)[C@@H](C)C(=O)N3CCC(C(=O)[O-])CC3)C2)nn1 ZINC000738277074 599956628 /nfs/dbraw/zinc/95/66/28/599956628.db2.gz AOZWTBKJTPWCFT-RDJZCZTQSA-N -1 1 389.500 1.397 20 0 GDADMM CC[C@@H]1CN(CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000736943976 599960996 /nfs/dbraw/zinc/96/09/96/599960996.db2.gz QYOMJYDDSVZLEP-SMDDNHRTSA-N -1 1 383.514 1.779 20 0 GDADMM CC[C@@H]1CN(CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])CCN1C[C@H](C)O ZINC000736943976 599960997 /nfs/dbraw/zinc/96/09/97/599960997.db2.gz QYOMJYDDSVZLEP-SMDDNHRTSA-N -1 1 383.514 1.779 20 0 GDADMM Cc1nc2c(cnn2C)c(N2CCN([C@@H](C(=O)[O-])c3ccc(F)cc3)CC2)n1 ZINC000738864572 599969683 /nfs/dbraw/zinc/96/96/83/599969683.db2.gz MAVIRDUHJTVXLB-MRXNPFEDSA-N -1 1 384.415 1.759 20 0 GDADMM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2cnn(Cc3ccccn3)c2)c1 ZINC000740143206 600024255 /nfs/dbraw/zinc/02/42/55/600024255.db2.gz BVDOGQNQIUDRNM-UHFFFAOYSA-N -1 1 376.369 1.965 20 0 GDADMM O=C([O-])C1CCC(NC(=O)CCn2c(=O)c3ccccc3[nH]c2=S)CC1 ZINC000739266534 600073640 /nfs/dbraw/zinc/07/36/40/600073640.db2.gz BURKPNBDRRKZDL-UHFFFAOYSA-N -1 1 375.450 1.835 20 0 GDADMM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000736203578 600083704 /nfs/dbraw/zinc/08/37/04/600083704.db2.gz DNLXWNDWEWTYTH-ZFWWWQNUSA-N -1 1 375.473 1.115 20 0 GDADMM CS(=O)(=O)Cc1ccccc1NS(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000738159539 600097490 /nfs/dbraw/zinc/09/74/90/600097490.db2.gz AWZRENHCPQYJPX-UHFFFAOYSA-N -1 1 387.410 1.869 20 0 GDADMM O=C([O-])CN(CCN1CCOCC1)Cc1cc(Br)ccc1F ZINC000739790429 600146000 /nfs/dbraw/zinc/14/60/00/600146000.db2.gz IBEDSPUIALRNIL-UHFFFAOYSA-N -1 1 375.238 1.807 20 0 GDADMM Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)OCc1noc(CCC(=O)[O-])n1 ZINC000738873941 600191109 /nfs/dbraw/zinc/19/11/09/600191109.db2.gz FVRHYUTWWRKLCX-UHFFFAOYSA-N -1 1 389.368 1.128 20 0 GDADMM CC(C)[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(C(F)(F)F)cc1 ZINC000824192199 607428068 /nfs/dbraw/zinc/42/80/68/607428068.db2.gz IDJDALRRVSNQTI-CYBMUJFWSA-N -1 1 394.361 1.991 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20 0 GDADMM CNS(=O)(=O)c1cccc(CN[C@H](C(=O)[O-])c2cc(OC)cc(OC)c2)c1 ZINC000831038196 602166425 /nfs/dbraw/zinc/16/64/25/602166425.db2.gz HXOSANNUJVHFFZ-KRWDZBQOSA-N -1 1 394.449 1.527 20 0 GDADMM C[C@H](NC(=O)N1CCC(CN2CCOCC2)CC1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738971831 602177663 /nfs/dbraw/zinc/17/76/63/602177663.db2.gz VZPBTGGFJQJVLQ-DOTOQJQBSA-N -1 1 382.505 1.519 20 0 GDADMM C[C@H]1CCCN(C(=O)C2CCN(C(=O)CN[C@H](C(=O)[O-])C(C)(C)C)CC2)C1 ZINC000828257622 602226129 /nfs/dbraw/zinc/22/61/29/602226129.db2.gz GUDMRVNMGSTDKM-WMLDXEAASA-N -1 1 381.517 1.572 20 0 GDADMM COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N[C@@H]2CCCc3cn[nH]c32)c1 ZINC000831243191 602226332 /nfs/dbraw/zinc/22/63/32/602226332.db2.gz WAHOPHSCDSTRFY-CYBMUJFWSA-N -1 1 379.394 1.250 20 0 GDADMM O=C([O-])N[C@H](C(=O)NCCN1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000740690423 602352140 /nfs/dbraw/zinc/35/21/40/602352140.db2.gz WDKLGQDRYYGDJZ-FQEVSTJZSA-N -1 1 396.491 1.929 20 0 GDADMM C[C@@H]1CN(CCCNC(=O)[C@H]2Cc3ccccc3CN2C(=O)[O-])C[C@H](C)O1 ZINC000739181585 602362406 /nfs/dbraw/zinc/36/24/06/602362406.db2.gz KAMDVIFVGNDBCW-RVKKMQEKSA-N -1 1 375.469 1.707 20 0 GDADMM CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)N2CCC(CN(C)C(=O)[O-])CC2)C1 ZINC000739468524 602381980 /nfs/dbraw/zinc/38/19/80/602381980.db2.gz IELPTFMONDKVTB-ZBFHGGJFSA-N -1 1 383.489 1.498 20 0 GDADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N1CCC([C@@H](C)NC(=O)[O-])CC1 ZINC000739025927 602460777 /nfs/dbraw/zinc/46/07/77/602460777.db2.gz LKMQACZFBQMZOM-VXGBXAGGSA-N -1 1 387.440 1.576 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)CCn2c(=O)c3ccccc3[nH]c2=S)C1)C(=O)[O-] ZINC000739642631 602483737 /nfs/dbraw/zinc/48/37/37/602483737.db2.gz ATYGOFPUUSYCJZ-LBPRGKRZSA-N -1 1 390.465 1.534 20 0 GDADMM COc1ccc(OC)c([C@@H](C)NC(=O)CN2CC[C@@H](CN(C)C(=O)[O-])C2)c1 ZINC000739931434 602537060 /nfs/dbraw/zinc/53/70/60/602537060.db2.gz QEHWUACOXWBDQC-KGLIPLIRSA-N -1 1 379.457 1.813 20 0 GDADMM O=C([O-])N[C@H](CCC(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1)c1ccccc1 ZINC000740535874 602683757 /nfs/dbraw/zinc/68/37/57/602683757.db2.gz GEGHURGLVYAWTE-KURKYZTESA-N -1 1 375.469 1.833 20 0 GDADMM CCOc1ncccc1CNS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825659159 607583163 /nfs/dbraw/zinc/58/31/63/607583163.db2.gz PFQSBEBBKMDCGM-UHFFFAOYSA-N -1 1 394.844 1.792 20 0 GDADMM C[C@@H]1CN(CC(=O)NCCc2ccc(OC(F)F)cc2)CC[C@@H]1NC(=O)[O-] ZINC000739168967 602786802 /nfs/dbraw/zinc/78/68/02/602786802.db2.gz DRBQCHWHJOELCB-DOMZBBRYSA-N -1 1 385.411 1.925 20 0 GDADMM O=S(=O)(NC[C@H]1Cc2ccccc2O1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826491168 607586492 /nfs/dbraw/zinc/58/64/92/607586492.db2.gz WTYMWZKIPDWDCC-GFCCVEGCSA-N -1 1 375.385 1.288 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc3c(c2)[nH]c(=S)n(C)c3=O)C[C@@H](C)N1C(=O)[O-] ZINC000739167179 602803789 /nfs/dbraw/zinc/80/37/89/602803789.db2.gz LSZRKMNKTYEHLG-NXEZZACHSA-N -1 1 376.438 1.435 20 0 GDADMM COc1ccc(NC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)cc1NC(=O)[O-] ZINC000739917402 602820833 /nfs/dbraw/zinc/82/08/33/602820833.db2.gz FNIVFQLWCXTBFU-HUUCEWRRSA-N -1 1 378.429 1.848 20 0 GDADMM C[C@@H]1CN(C(=O)NCc2cccnc2N2CCN(C)CC2)CC[C@H]1NC(=O)[O-] ZINC000739150541 602824902 /nfs/dbraw/zinc/82/49/02/602824902.db2.gz XBGIHWAHAZQQBQ-GDBMZVCRSA-N -1 1 390.488 1.021 20 0 GDADMM O=C([O-])N1CCC[C@H]1CC(=O)NCCCCN1CCN(c2ncccn2)CC1 ZINC000831327058 602853891 /nfs/dbraw/zinc/85/38/91/602853891.db2.gz MKUSUBLGTMEZDY-INIZCTEOSA-N -1 1 390.488 1.028 20 0 GDADMM C[C@@H]1CN(C(=O)NC2CCN(Cc3ccncc3)CC2)C[C@@H](C)N1C(=O)[O-] ZINC000739137718 602888404 /nfs/dbraw/zinc/88/84/04/602888404.db2.gz UEBGWJMDDLMOAK-HUUCEWRRSA-N -1 1 375.473 1.828 20 0 GDADMM O=C(CCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)NC1CCCCC1 ZINC000826407777 607594662 /nfs/dbraw/zinc/59/46/62/607594662.db2.gz AKGJNXQLDZFEJB-UHFFFAOYSA-N -1 1 396.448 1.123 20 0 GDADMM CC(C)[C@@H](CNC(=O)[C@H](CNC(=O)[O-])c1ccccc1)N1CCN(C)CC1 ZINC000824110472 602923455 /nfs/dbraw/zinc/92/34/55/602923455.db2.gz KROBLYWYTNEENR-QZTJIDSGSA-N -1 1 376.501 1.426 20 0 GDADMM C[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820385865 607597019 /nfs/dbraw/zinc/59/70/19/607597019.db2.gz UVZKRSVRJSFIGZ-LBPRGKRZSA-N -1 1 382.380 1.620 20 0 GDADMM C[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820385865 607597021 /nfs/dbraw/zinc/59/70/21/607597021.db2.gz UVZKRSVRJSFIGZ-LBPRGKRZSA-N -1 1 382.380 1.620 20 0 GDADMM O=S(=O)(NCc1ccccc1-n1ccnc1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826492078 607597035 /nfs/dbraw/zinc/59/70/35/607597035.db2.gz RJTONVMFWCZCLR-UHFFFAOYSA-N -1 1 399.411 1.670 20 0 GDADMM O=S(=O)(NCc1ccccc1-n1ccnc1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826492078 607597036 /nfs/dbraw/zinc/59/70/36/607597036.db2.gz RJTONVMFWCZCLR-UHFFFAOYSA-N -1 1 399.411 1.670 20 0 GDADMM O=C([O-])NC[C@H](C(=O)N1CCN(CC2CCOCC2)CC1)c1ccccc1 ZINC000832402680 602967499 /nfs/dbraw/zinc/96/74/99/602967499.db2.gz KVLYIXGGPMEJPY-SFHVURJKSA-N -1 1 375.469 1.609 20 0 GDADMM Cn1c(CCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)nc2ccccc2c1=O ZINC000826355029 607597797 /nfs/dbraw/zinc/59/77/97/607597797.db2.gz HFIGCBHNQRAXIR-UHFFFAOYSA-N -1 1 391.391 1.185 20 0 GDADMM Cn1c(CCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)nc2ccccc2c1=O ZINC000826355029 607597798 /nfs/dbraw/zinc/59/77/98/607597798.db2.gz HFIGCBHNQRAXIR-UHFFFAOYSA-N -1 1 391.391 1.185 20 0 GDADMM O=C(CSc1nnc(-c2ccco2)o1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826421782 607597996 /nfs/dbraw/zinc/59/79/96/607597996.db2.gz YXYPMJUCPZACRA-UHFFFAOYSA-N -1 1 385.365 1.740 20 0 GDADMM O=C(CSc1nnc(-c2ccco2)o1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826421782 607597998 /nfs/dbraw/zinc/59/79/98/607597998.db2.gz YXYPMJUCPZACRA-UHFFFAOYSA-N -1 1 385.365 1.740 20 0 GDADMM O=C([O-])N1CCCC[C@H](NC(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)C1 ZINC000740454532 602977908 /nfs/dbraw/zinc/97/79/08/602977908.db2.gz YZZZMADZTMBHHG-ZDUSSCGKSA-N -1 1 376.392 1.943 20 0 GDADMM O=C([O-])N1CCCC[C@H](NC(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)C1 ZINC000740454532 602977910 /nfs/dbraw/zinc/97/79/10/602977910.db2.gz YZZZMADZTMBHHG-ZDUSSCGKSA-N -1 1 376.392 1.943 20 0 GDADMM C[C@@H](NC(=O)C(=O)Nc1ccn(-c2ccncc2)n1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738953558 603044551 /nfs/dbraw/zinc/04/45/51/603044551.db2.gz ZLRPEMHBBOTBEI-OLZOCXBDSA-N -1 1 386.412 1.101 20 0 GDADMM C[C@@H]1C[C@@H](c2ccccc2)CN1CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O ZINC000739083776 603048127 /nfs/dbraw/zinc/04/81/27/603048127.db2.gz PNFZBGQEWWRBGK-GDBMZVCRSA-N -1 1 386.452 1.886 20 0 GDADMM CC[C@@H]1CN(C(=O)c2cccn2C2CCN(C(=O)[O-])CC2)CCN1C[C@H](C)O ZINC000826691716 603059102 /nfs/dbraw/zinc/05/91/02/603059102.db2.gz VNRCBIOBTODHEO-JKSUJKDBSA-N -1 1 392.500 1.720 20 0 GDADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)COC[C@H]3CCCO3)cc2)n1 ZINC000740681771 603059941 /nfs/dbraw/zinc/05/99/41/603059941.db2.gz UICVYUGSDQEDNH-CYBMUJFWSA-N -1 1 375.385 1.373 20 0 GDADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)COC[C@H]3CCCO3)cc2)n[nH]1 ZINC000740681771 603059945 /nfs/dbraw/zinc/05/99/45/603059945.db2.gz UICVYUGSDQEDNH-CYBMUJFWSA-N -1 1 375.385 1.373 20 0 GDADMM CC(C)(C)c1n[nH]c([C@H]2CN(C(=O)C3(NC(=O)[O-])CCCCC3)CCO2)n1 ZINC000823864053 603077367 /nfs/dbraw/zinc/07/73/67/603077367.db2.gz GXJOBOQDTKUSAD-GFCCVEGCSA-N -1 1 379.461 1.973 20 0 GDADMM CC(C)(C)c1nnc([C@H]2CN(C(=O)C3(NC(=O)[O-])CCCCC3)CCO2)[nH]1 ZINC000823864053 603077374 /nfs/dbraw/zinc/07/73/74/603077374.db2.gz GXJOBOQDTKUSAD-GFCCVEGCSA-N -1 1 379.461 1.973 20 0 GDADMM CN1CCN(C[C@@H](NC(=O)N[C@@H](CNC(=O)[O-])C2CC2)c2ccccc2)CC1 ZINC000739738164 603096017 /nfs/dbraw/zinc/09/60/17/603096017.db2.gz SGKSKDHBGSCDQJ-ZWKOTPCHSA-N -1 1 389.500 1.321 20 0 GDADMM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)c1ccnc(N2CCN(C)CC2)c1 ZINC000739206966 603099178 /nfs/dbraw/zinc/09/91/78/603099178.db2.gz KDFDQWWMVWDJOX-UKRRQHHQSA-N -1 1 391.472 1.067 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCCN(Cc2ccccc2)C1)N1CCN(C(=O)[O-])CC1 ZINC000738649095 603114697 /nfs/dbraw/zinc/11/46/97/603114697.db2.gz NSXLOPMUARGPOU-SFHVURJKSA-N -1 1 388.512 1.841 20 0 GDADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N[C@@](C)(CNC(=O)[O-])C(C)C ZINC000740028212 603126310 /nfs/dbraw/zinc/12/63/10/603126310.db2.gz JTDGNXNNELFAPW-SFHVURJKSA-N -1 1 388.428 1.289 20 0 GDADMM COc1ccc(-c2n[nH]c(CNC(=O)[C@@H]3[C@@H](C)OC(C)(C)N3C(=O)[O-])n2)cc1 ZINC000739878956 603127552 /nfs/dbraw/zinc/12/75/52/603127552.db2.gz IPZQABJWHOFZKI-YGRLFVJLSA-N -1 1 389.412 1.600 20 0 GDADMM COc1ccc(-c2nc(CNC(=O)[C@@H]3[C@@H](C)OC(C)(C)N3C(=O)[O-])n[nH]2)cc1 ZINC000739878956 603127555 /nfs/dbraw/zinc/12/75/55/603127555.db2.gz IPZQABJWHOFZKI-YGRLFVJLSA-N -1 1 389.412 1.600 20 0 GDADMM O=C([O-])NC1CCC(NC(=O)NC[C@H](O)CN2CCc3ccccc3C2)CC1 ZINC000740555112 603151677 /nfs/dbraw/zinc/15/16/77/603151677.db2.gz ADUMYTFWDGHOCD-ABHNRTSZSA-N -1 1 390.484 1.284 20 0 GDADMM CCN1CCN(c2ccc(CNC(=O)N[C@H]3CCCN(C(=O)[O-])C3)cn2)CC1 ZINC000737121996 603250483 /nfs/dbraw/zinc/25/04/83/603250483.db2.gz FRUFYDBKFDDYNC-INIZCTEOSA-N -1 1 390.488 1.165 20 0 GDADMM C[C@@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N(C)CCCNC(=O)[O-] ZINC000738620365 603257297 /nfs/dbraw/zinc/25/72/97/603257297.db2.gz SIPBGCDHAPJWKU-NSHDSACASA-N -1 1 380.401 1.084 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC(c2cc[nH]n2)CC1 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377.405 1.297 20 0 GDADMM O=S(=O)(NC[C@H](O)c1ccccc1F)c1cccc(F)c1-c1nnn[n-]1 ZINC000826489286 607625418 /nfs/dbraw/zinc/62/54/18/607625418.db2.gz LQLQBAHPKPAVRN-LBPRGKRZSA-N -1 1 381.364 1.157 20 0 GDADMM O=S(=O)(NC[C@H](O)c1ccccc1F)c1cccc(F)c1-c1nn[n-]n1 ZINC000826489286 607625419 /nfs/dbraw/zinc/62/54/19/607625419.db2.gz LQLQBAHPKPAVRN-LBPRGKRZSA-N -1 1 381.364 1.157 20 0 GDADMM CCN(CC(=O)Nc1ccc2nc(CCN3CCOCC3)[nH]c2c1)C(=O)[O-] ZINC000739395825 603429332 /nfs/dbraw/zinc/42/93/32/603429332.db2.gz IANKIVFUBTVSFS-UHFFFAOYSA-N -1 1 375.429 1.376 20 0 GDADMM O=S(=O)(c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)N(CCO)CC1CC1 ZINC000826494763 607630377 /nfs/dbraw/zinc/63/03/77/607630377.db2.gz OJCSXZYZVGYSEL-UHFFFAOYSA-N -1 1 391.375 1.279 20 0 GDADMM Cc1nc([C@@H]2CN(C(=O)NCc3ccc(CCNC(=O)[O-])cc3)CCO2)n[nH]1 ZINC000830677421 603480013 /nfs/dbraw/zinc/48/00/13/603480013.db2.gz GJNQCFZQBKAXMW-HNNXBMFYSA-N -1 1 388.428 1.206 20 0 GDADMM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)CSc1n[nH]c(=S)s1 ZINC000826115691 603492046 /nfs/dbraw/zinc/49/20/46/603492046.db2.gz JVZFCOWPMNAQBS-RQJHMYQMSA-N -1 1 378.501 1.539 20 0 GDADMM CC[C@H]1CN2CCCC[C@@H]2CN1C(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1 ZINC000826690195 603523086 /nfs/dbraw/zinc/52/30/86/603523086.db2.gz JZEDACCYPZVJBR-GOEBONIOSA-N -1 1 390.488 1.682 20 0 GDADMM CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N[C@@H]1CCCCN(C(=O)[O-])C1 ZINC000828042410 603561843 /nfs/dbraw/zinc/56/18/43/603561843.db2.gz CUAANZJBTKOUAP-CQSZACIVSA-N -1 1 377.445 1.501 20 0 GDADMM CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N1CCC[C@@H](CNC(=O)[O-])C1 ZINC000828042638 603562025 /nfs/dbraw/zinc/56/20/25/603562025.db2.gz KLUOGKKKGHQRQP-LBPRGKRZSA-N -1 1 377.445 1.359 20 0 GDADMM O=C([O-])NC[C@@H]1CCCC[C@]12NC(=O)N(CN1CCC[C@H]1C1CCC1)C2=O ZINC000832498748 603600926 /nfs/dbraw/zinc/60/09/26/603600926.db2.gz KYEKSTBDCTVJGR-DOXZYTNZSA-N -1 1 378.473 1.957 20 0 GDADMM O=C([O-])NC[C@@H]1CCCC[C@@]12NC(=O)N(CN(CC1CC1)CC1CC1)C2=O ZINC000832498794 603604977 /nfs/dbraw/zinc/60/49/77/603604977.db2.gz 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/nfs/dbraw/zinc/13/92/16/606139216.db2.gz ANUBYHKHDPDGSK-UHFFFAOYSA-N -1 1 387.421 1.800 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)N[C@@H]1CCOc2ccccc21 ZINC000823026764 606139709 /nfs/dbraw/zinc/13/97/09/606139709.db2.gz FYUWUNWZLPPDFL-LLVKDONJSA-N -1 1 385.405 1.725 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)N[C@@H]1CCOc2ccccc21 ZINC000823026764 606139711 /nfs/dbraw/zinc/13/97/11/606139711.db2.gz FYUWUNWZLPPDFL-LLVKDONJSA-N -1 1 385.405 1.725 20 0 GDADMM COc1ccccc1[C@@H](C)NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821882727 606139809 /nfs/dbraw/zinc/13/98/09/606139809.db2.gz JDCGFXGULSYPMH-SNVBAGLBSA-N -1 1 387.421 1.971 20 0 GDADMM COc1ccccc1[C@@H](C)NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821882727 606139810 /nfs/dbraw/zinc/13/98/10/606139810.db2.gz JDCGFXGULSYPMH-SNVBAGLBSA-N -1 1 387.421 1.971 20 0 GDADMM Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC000822205744 606158715 /nfs/dbraw/zinc/15/87/15/606158715.db2.gz HFNJHVRLMWECDW-CYBMUJFWSA-N -1 1 399.434 1.838 20 0 GDADMM Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC000822205744 606158717 /nfs/dbraw/zinc/15/87/17/606158717.db2.gz HFNJHVRLMWECDW-CYBMUJFWSA-N -1 1 399.434 1.838 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N(Cc2cc[nH]n2)Cc2ccccc2)n1 ZINC000822604266 606158910 /nfs/dbraw/zinc/15/89/10/606158910.db2.gz AQADGWGRWXWRHH-UHFFFAOYSA-N -1 1 378.400 1.558 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N(Cc2cc[nH]n2)Cc2ccccc2)n1 ZINC000822604266 606158911 /nfs/dbraw/zinc/15/89/11/606158911.db2.gz AQADGWGRWXWRHH-UHFFFAOYSA-N -1 1 378.400 1.558 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@@H]2C[C@H](O)c2ccccc2)n1 ZINC000822609346 606164222 /nfs/dbraw/zinc/16/42/22/606164222.db2.gz MOFWVMRDOBOKBM-HIFRSBDPSA-N -1 1 382.428 1.720 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@@H]2C[C@H](O)c2ccccc2)n1 ZINC000822609346 606164224 /nfs/dbraw/zinc/16/42/24/606164224.db2.gz MOFWVMRDOBOKBM-HIFRSBDPSA-N -1 1 382.428 1.720 20 0 GDADMM CO[C@H](CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000821677255 606168342 /nfs/dbraw/zinc/16/83/42/606168342.db2.gz SEPGONOGHRIHOI-GFCCVEGCSA-N -1 1 376.808 1.763 20 0 GDADMM CO[C@H](CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000821677255 606168343 /nfs/dbraw/zinc/16/83/43/606168343.db2.gz SEPGONOGHRIHOI-GFCCVEGCSA-N -1 1 376.808 1.763 20 0 GDADMM COC(=O)N(C)Cc1ccc(NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000821663807 606170831 /nfs/dbraw/zinc/17/08/31/606170831.db2.gz OTDNXYONHBJEIK-UHFFFAOYSA-N -1 1 385.388 1.442 20 0 GDADMM COC(=O)N(C)Cc1ccc(NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000821663807 606170834 /nfs/dbraw/zinc/17/08/34/606170834.db2.gz OTDNXYONHBJEIK-UHFFFAOYSA-N -1 1 385.388 1.442 20 0 GDADMM O=C(Cn1cccc(C(F)(F)F)c1=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823122531 606195902 /nfs/dbraw/zinc/19/59/02/606195902.db2.gz FDDDGXQEQHSXGV-UHFFFAOYSA-N -1 1 380.286 1.392 20 0 GDADMM C[C@@]1(C2CCN(c3cc(-c4nnn[n-]4)nc4ccccc43)CC2)NC(=O)NC1=O ZINC000820612783 606197913 /nfs/dbraw/zinc/19/79/13/606197913.db2.gz JFEGTOJABKJKQG-IBGZPJMESA-N -1 1 392.423 1.229 20 0 GDADMM C[C@@]1(C2CCN(c3cc(-c4nn[n-]n4)nc4ccccc43)CC2)NC(=O)NC1=O ZINC000820612783 606197914 /nfs/dbraw/zinc/19/79/14/606197914.db2.gz JFEGTOJABKJKQG-IBGZPJMESA-N -1 1 392.423 1.229 20 0 GDADMM COC(=O)C1CCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)CC1 ZINC000821656112 606213491 /nfs/dbraw/zinc/21/34/91/606213491.db2.gz YCOVVZQWFCFRFG-UHFFFAOYSA-N -1 1 384.396 1.584 20 0 GDADMM COC(=O)C1CCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)CC1 ZINC000821656112 606213492 /nfs/dbraw/zinc/21/34/92/606213492.db2.gz YCOVVZQWFCFRFG-UHFFFAOYSA-N -1 1 384.396 1.584 20 0 GDADMM COC(=O)/C(C)=C/COC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000821639198 606227204 /nfs/dbraw/zinc/22/72/04/606227204.db2.gz RUANZVDYPPISAW-JXMROGBWSA-N -1 1 399.411 1.121 20 0 GDADMM COC(=O)/C(C)=C/COC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000821639198 606227207 /nfs/dbraw/zinc/22/72/07/606227207.db2.gz RUANZVDYPPISAW-JXMROGBWSA-N -1 1 399.411 1.121 20 0 GDADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000823791823 606232245 /nfs/dbraw/zinc/23/22/45/606232245.db2.gz JNKLQMWMTUKBDQ-AWEZNQCLSA-N -1 1 381.440 1.974 20 0 GDADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000823791823 606232247 /nfs/dbraw/zinc/23/22/47/606232247.db2.gz JNKLQMWMTUKBDQ-AWEZNQCLSA-N -1 1 381.440 1.974 20 0 GDADMM O=C(CCCn1c(=O)oc2ccccc21)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822964971 606294355 /nfs/dbraw/zinc/29/43/55/606294355.db2.gz VNSGAQSMIBMDAT-UHFFFAOYSA-N -1 1 380.364 1.899 20 0 GDADMM O=C(COc1ccc(N2CCCC2=O)cc1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823041226 606298236 /nfs/dbraw/zinc/29/82/36/606298236.db2.gz VEPJXFDZVHIGCD-UHFFFAOYSA-N -1 1 394.391 1.717 20 0 GDADMM C[C@H]1CN([C@H](CNC(=O)c2ccc(-c3nnn[n-]3)nc2)c2cccs2)CCO1 ZINC000820752295 606298606 /nfs/dbraw/zinc/29/86/06/606298606.db2.gz LPRGIINLYHAFLD-SWLSCSKDSA-N -1 1 399.480 1.515 20 0 GDADMM C[C@H]1CN([C@H](CNC(=O)c2ccc(-c3nn[n-]n3)nc2)c2cccs2)CCO1 ZINC000820752295 606298607 /nfs/dbraw/zinc/29/86/07/606298607.db2.gz LPRGIINLYHAFLD-SWLSCSKDSA-N -1 1 399.480 1.515 20 0 GDADMM Cc1ccccc1Cc1nc(Cn2nc(C)c(C)c(-c3nn[n-]n3)c2=O)no1 ZINC000822362563 606311492 /nfs/dbraw/zinc/31/14/92/606311492.db2.gz YPUUVKVMIAUMAN-UHFFFAOYSA-N -1 1 378.396 1.371 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCc1cn2ccsc2n1 ZINC000822010212 606435625 /nfs/dbraw/zinc/43/56/25/606435625.db2.gz SOQWKFYKOSSFCU-UHFFFAOYSA-N -1 1 399.436 1.969 20 0 GDADMM CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821588091 606500011 /nfs/dbraw/zinc/50/00/11/606500011.db2.gz ALPNXGVBPGWCIN-UHFFFAOYSA-N -1 1 392.466 1.109 20 0 GDADMM CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821588091 606500013 /nfs/dbraw/zinc/50/00/13/606500013.db2.gz ALPNXGVBPGWCIN-UHFFFAOYSA-N -1 1 392.466 1.109 20 0 GDADMM Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(-c4nnn[n-]4)s3)CC2)cc1 ZINC000822226245 606510551 /nfs/dbraw/zinc/51/05/51/606510551.db2.gz JLKSBYDPLIPAFM-UHFFFAOYSA-N -1 1 382.449 1.835 20 0 GDADMM Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(-c4nn[n-]n4)s3)CC2)cc1 ZINC000822226245 606510553 /nfs/dbraw/zinc/51/05/53/606510553.db2.gz JLKSBYDPLIPAFM-UHFFFAOYSA-N -1 1 382.449 1.835 20 0 GDADMM CS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821937651 606510657 /nfs/dbraw/zinc/51/06/57/606510657.db2.gz OVAHRRKMOMZCRP-UHFFFAOYSA-N -1 1 389.462 1.925 20 0 GDADMM CS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821937651 606510659 /nfs/dbraw/zinc/51/06/59/606510659.db2.gz OVAHRRKMOMZCRP-UHFFFAOYSA-N -1 1 389.462 1.925 20 0 GDADMM C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(-c4nn[n-]n4)s3)cn2)CCO1 ZINC000820769133 606511223 /nfs/dbraw/zinc/51/12/23/606511223.db2.gz RMLWPUMAAATTCM-LLVKDONJSA-N -1 1 385.453 1.478 20 0 GDADMM O=C(CCc1nc(-c2ccccn2)no1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822983948 606519476 /nfs/dbraw/zinc/51/94/76/606519476.db2.gz ZDFAAOOWLNNBCG-UHFFFAOYSA-N -1 1 378.352 1.383 20 0 GDADMM O=C(CCc1nc(-c2ccccn2)no1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822983948 606519478 /nfs/dbraw/zinc/51/94/78/606519478.db2.gz ZDFAAOOWLNNBCG-UHFFFAOYSA-N -1 1 378.352 1.383 20 0 GDADMM O=C(NC1CCCCC1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000823149839 606524358 /nfs/dbraw/zinc/52/43/58/606524358.db2.gz HVYIRAUKZINJIX-UHFFFAOYSA-N -1 1 389.485 1.728 20 0 GDADMM O=C(NC1CCCCC1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000823149839 606524359 /nfs/dbraw/zinc/52/43/59/606524359.db2.gz HVYIRAUKZINJIX-UHFFFAOYSA-N -1 1 389.485 1.728 20 0 GDADMM O=C(Nc1nc(CN2CCOCC2)cs1)c1ccc(-c2nnn[n-]2)s1 ZINC000823379870 606528908 /nfs/dbraw/zinc/52/89/08/606528908.db2.gz MGXRYTBNWLOUJD-UHFFFAOYSA-N -1 1 377.455 1.469 20 0 GDADMM O=C(Nc1nc(CN2CCOCC2)cs1)c1ccc(-c2nn[n-]n2)s1 ZINC000823379870 606528909 /nfs/dbraw/zinc/52/89/09/606528909.db2.gz MGXRYTBNWLOUJD-UHFFFAOYSA-N -1 1 377.455 1.469 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC2(CNC(=O)C2)CC1 ZINC000822535158 606546553 /nfs/dbraw/zinc/54/65/53/606546553.db2.gz IIJDHQFPXMXKMR-UHFFFAOYSA-N -1 1 395.423 1.301 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC2(CNC(=O)C2)CC1 ZINC000822535158 606546554 /nfs/dbraw/zinc/54/65/54/606546554.db2.gz IIJDHQFPXMXKMR-UHFFFAOYSA-N -1 1 395.423 1.301 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCCN(Cc2cscn2)CC1 ZINC000823484609 606548414 /nfs/dbraw/zinc/54/84/14/606548414.db2.gz ZZJQPYUOHXFGSZ-UHFFFAOYSA-N -1 1 375.483 1.733 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCCN(Cc2cscn2)CC1 ZINC000823484609 606548416 /nfs/dbraw/zinc/54/84/16/606548416.db2.gz ZZJQPYUOHXFGSZ-UHFFFAOYSA-N -1 1 375.483 1.733 20 0 GDADMM CCc1cc(N2CCC(NC(=O)c3ccc(-c4nnn[n-]4)s3)CC2)ncn1 ZINC000821471160 606582673 /nfs/dbraw/zinc/58/26/73/606582673.db2.gz WAALHISKHDBPDX-UHFFFAOYSA-N -1 1 384.469 1.679 20 0 GDADMM CCc1cc(N2CCC(NC(=O)c3ccc(-c4nn[n-]n4)s3)CC2)ncn1 ZINC000821471160 606582675 /nfs/dbraw/zinc/58/26/75/606582675.db2.gz WAALHISKHDBPDX-UHFFFAOYSA-N -1 1 384.469 1.679 20 0 GDADMM Nc1n[nH]c(CCCNC(=O)Nc2cc(-c3ccccc3)on2)c1-c1nnn[n-]1 ZINC000822907226 606642180 /nfs/dbraw/zinc/64/21/80/606642180.db2.gz BWQXGHBHYOZTPA-UHFFFAOYSA-N -1 1 394.399 1.581 20 0 GDADMM Nc1n[nH]c(CCCNC(=O)Nc2cc(-c3ccccc3)on2)c1-c1nn[n-]n1 ZINC000822907226 606642181 /nfs/dbraw/zinc/64/21/81/606642181.db2.gz BWQXGHBHYOZTPA-UHFFFAOYSA-N -1 1 394.399 1.581 20 0 GDADMM O=C(Cc1cc(Cl)c2c(c1)OCCO2)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823074050 606650653 /nfs/dbraw/zinc/65/06/53/606650653.db2.gz JPIMLAHMWRVGRX-UHFFFAOYSA-N -1 1 387.783 1.972 20 0 GDADMM O=C(Cc1cc(Cl)c2c(c1)OCCO2)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823074050 606650654 /nfs/dbraw/zinc/65/06/54/606650654.db2.gz JPIMLAHMWRVGRX-UHFFFAOYSA-N -1 1 387.783 1.972 20 0 GDADMM CS(=O)(=O)c1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)ccc1Cl ZINC000821938192 606651798 /nfs/dbraw/zinc/65/17/98/606651798.db2.gz XWTHBQBGVBIIER-UHFFFAOYSA-N -1 1 393.812 1.676 20 0 GDADMM CS(=O)(=O)c1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)ccc1Cl ZINC000821938192 606651799 /nfs/dbraw/zinc/65/17/99/606651799.db2.gz XWTHBQBGVBIIER-UHFFFAOYSA-N -1 1 393.812 1.676 20 0 GDADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@H](C)c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000821637483 606762857 /nfs/dbraw/zinc/76/28/57/606762857.db2.gz HQSQKFRUYXIOHL-SECBINFHSA-N -1 1 377.382 1.286 20 0 GDADMM Cc1oc(NC(=O)[C@H](C)N2CCO[C@@H]([C@@H]3CCCO3)C2)c(-c2nn[n-]n2)c1C ZINC000822542219 606771109 /nfs/dbraw/zinc/77/11/09/606771109.db2.gz VTRNSMHSPUAJJE-FPMFFAJLSA-N -1 1 390.444 1.283 20 0 GDADMM CC(C)CCc1noc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)n1 ZINC000820081288 606781674 /nfs/dbraw/zinc/78/16/74/606781674.db2.gz ALOZNLRJIADEEG-ZDUSSCGKSA-N -1 1 398.475 1.339 20 0 GDADMM CC(C)CCc1noc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)n1 ZINC000820081288 606781676 /nfs/dbraw/zinc/78/16/76/606781676.db2.gz ALOZNLRJIADEEG-ZDUSSCGKSA-N -1 1 398.475 1.339 20 0 GDADMM CC1CCC(=CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)CC1 ZINC000820676470 606817747 /nfs/dbraw/zinc/81/77/47/606817747.db2.gz NIQQCNCTSOTMPJ-ARLHGKGLSA-N -1 1 382.472 1.830 20 0 GDADMM CC1CCC(=CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)CC1 ZINC000820676470 606817749 /nfs/dbraw/zinc/81/77/49/606817749.db2.gz NIQQCNCTSOTMPJ-ARLHGKGLSA-N -1 1 382.472 1.830 20 0 GDADMM CCCc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cc1 ZINC000821138562 606820930 /nfs/dbraw/zinc/82/09/30/606820930.db2.gz BILILEMCEYKMKN-AWEZNQCLSA-N -1 1 392.467 1.960 20 0 GDADMM CCCc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cc1 ZINC000821138562 606820932 /nfs/dbraw/zinc/82/09/32/606820932.db2.gz BILILEMCEYKMKN-AWEZNQCLSA-N -1 1 392.467 1.960 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc2c(c1)CCC2 ZINC000820788787 606821776 /nfs/dbraw/zinc/82/17/76/606821776.db2.gz OHBMKDACXGAXPH-CYBMUJFWSA-N -1 1 390.451 1.496 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc2c(c1)CCC2 ZINC000820788787 606821778 /nfs/dbraw/zinc/82/17/78/606821778.db2.gz OHBMKDACXGAXPH-CYBMUJFWSA-N -1 1 390.451 1.496 20 0 GDADMM C[C@@H](CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)n1cccc1 ZINC000820778399 606821802 /nfs/dbraw/zinc/82/18/02/606821802.db2.gz WGGQODHTAIAKFS-UONOGXRCSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H](CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)n1cccc1 ZINC000820778399 606821803 /nfs/dbraw/zinc/82/18/03/606821803.db2.gz WGGQODHTAIAKFS-UONOGXRCSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc2cc[nH]c2c1 ZINC000820788492 606821888 /nfs/dbraw/zinc/82/18/88/606821888.db2.gz IJHLTEFKBACFMI-LBPRGKRZSA-N -1 1 389.423 1.489 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc2cc[nH]c2c1 ZINC000820788492 606821889 /nfs/dbraw/zinc/82/18/89/606821889.db2.gz IJHLTEFKBACFMI-LBPRGKRZSA-N -1 1 389.423 1.489 20 0 GDADMM COCCCn1cc(C(=O)c2cc(F)ccc2OC)cc(-c2nn[n-]n2)c1=O ZINC000821688713 606822206 /nfs/dbraw/zinc/82/22/06/606822206.db2.gz WTNOXGXICNXIRD-UHFFFAOYSA-N -1 1 387.371 1.444 20 0 GDADMM Cc1ccccc1CCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000822356088 606825366 /nfs/dbraw/zinc/82/53/66/606825366.db2.gz JFOPQVMOFCFUHN-HNNXBMFYSA-N -1 1 392.467 1.635 20 0 GDADMM Cc1ccccc1CCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000822356088 606825368 /nfs/dbraw/zinc/82/53/68/606825368.db2.gz JFOPQVMOFCFUHN-HNNXBMFYSA-N -1 1 392.467 1.635 20 0 GDADMM COc1ccccc1N1CC[C@@H](OC(=O)c2ccc(-c3nnn[n-]3)nc2)C1=O ZINC000821897253 606826506 /nfs/dbraw/zinc/82/65/06/606826506.db2.gz HESHNUHKEUZOTQ-OAHLLOKOSA-N -1 1 380.364 1.233 20 0 GDADMM COc1ccccc1N1CC[C@@H](OC(=O)c2ccc(-c3nn[n-]n3)nc2)C1=O ZINC000821897253 606826507 /nfs/dbraw/zinc/82/65/07/606826507.db2.gz HESHNUHKEUZOTQ-OAHLLOKOSA-N -1 1 380.364 1.233 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1csc(C2CC2)n1 ZINC000820788463 606829907 /nfs/dbraw/zinc/82/99/07/606829907.db2.gz HRINQLTWXUMKOP-JTQLQIEISA-N -1 1 397.468 1.342 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1csc(C2CC2)n1 ZINC000820788463 606829908 /nfs/dbraw/zinc/82/99/08/606829908.db2.gz HRINQLTWXUMKOP-JTQLQIEISA-N -1 1 397.468 1.342 20 0 GDADMM C[C@@H]1CCC[C@H](CNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)C1 ZINC000820696768 606832740 /nfs/dbraw/zinc/83/27/40/606832740.db2.gz CDYFGQVCWXWYGK-KFWWJZLASA-N -1 1 399.503 1.703 20 0 GDADMM C[C@@H]1CCC[C@H](CNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)C1 ZINC000820696768 606832742 /nfs/dbraw/zinc/83/27/42/606832742.db2.gz CDYFGQVCWXWYGK-KFWWJZLASA-N -1 1 399.503 1.703 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000823606486 606841534 /nfs/dbraw/zinc/84/15/34/606841534.db2.gz IQGKVDVIFASUOU-MRVPVSSYSA-N -1 1 379.339 1.969 20 0 GDADMM CCOCCN1C(=O)N[C@@H](c2ccc(-c3nnn[n-]3)o2)C(C(=O)OCC)=C1C ZINC000821378932 606849735 /nfs/dbraw/zinc/84/97/35/606849735.db2.gz XQRQZGSFVCDJAH-AWEZNQCLSA-N -1 1 390.400 1.400 20 0 GDADMM CCOCCN1C(=O)N[C@@H](c2ccc(-c3nn[n-]n3)o2)C(C(=O)OCC)=C1C ZINC000821378932 606849736 /nfs/dbraw/zinc/84/97/36/606849736.db2.gz XQRQZGSFVCDJAH-AWEZNQCLSA-N -1 1 390.400 1.400 20 0 GDADMM Cc1nn(CC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)c(=O)c(-c2nn[n-]n2)c1C ZINC000822500960 606867209 /nfs/dbraw/zinc/86/72/09/606867209.db2.gz OSTUCMUIHYYTFM-UHFFFAOYSA-N -1 1 393.407 1.153 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)n1 ZINC000822614019 606908491 /nfs/dbraw/zinc/90/84/91/606908491.db2.gz IGQLPLAAJULSQM-SECBINFHSA-N -1 1 388.823 1.049 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)n1 ZINC000822614019 606908492 /nfs/dbraw/zinc/90/84/92/606908492.db2.gz IGQLPLAAJULSQM-SECBINFHSA-N -1 1 388.823 1.049 20 0 GDADMM Cc1cc(Cl)ccc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000822202159 607062575 /nfs/dbraw/zinc/06/25/75/607062575.db2.gz NNBOQKIEVBGVDS-LBPRGKRZSA-N -1 1 398.858 1.969 20 0 GDADMM Cc1cc(Cl)ccc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000822202159 607062576 /nfs/dbraw/zinc/06/25/76/607062576.db2.gz NNBOQKIEVBGVDS-LBPRGKRZSA-N -1 1 398.858 1.969 20 0 GDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000823380089 607110906 /nfs/dbraw/zinc/11/09/06/607110906.db2.gz PTKXJOVWTLIPLG-SNVBAGLBSA-N -1 1 390.473 1.626 20 0 GDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000823380089 607110908 /nfs/dbraw/zinc/11/09/08/607110908.db2.gz PTKXJOVWTLIPLG-SNVBAGLBSA-N -1 1 390.473 1.626 20 0 GDADMM Cc1ccn(-c2ccccc2CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC000822369965 607141262 /nfs/dbraw/zinc/14/12/62/607141262.db2.gz QGLQOKZUGGNBKQ-UHFFFAOYSA-N -1 1 396.436 1.234 20 0 GDADMM Cc1ccn(-c2ccccc2CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC000822369965 607141263 /nfs/dbraw/zinc/14/12/63/607141263.db2.gz QGLQOKZUGGNBKQ-UHFFFAOYSA-N -1 1 396.436 1.234 20 0 GDADMM COc1ccc(-c2nc(S[C@@H]3CCCNC3=O)[nH]c(=O)c2-c2nn[n-]n2)cc1 ZINC000821731456 607160836 /nfs/dbraw/zinc/16/08/36/607160836.db2.gz DKQFSORHUCQTGY-LLVKDONJSA-N -1 1 399.436 1.409 20 0 GDADMM CSC[C@@H]1CCCN1C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821960651 607166348 /nfs/dbraw/zinc/16/63/48/607166348.db2.gz CCENOHNISMGGDG-LBPRGKRZSA-N -1 1 376.486 1.871 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H](CCO)c1ccccc1 ZINC000822004620 607185444 /nfs/dbraw/zinc/18/54/44/607185444.db2.gz JTXOJNOWCPTKTA-INIZCTEOSA-N -1 1 396.451 1.757 20 0 GDADMM CC(C)(NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(Br)cc1 ZINC000819988097 607207706 /nfs/dbraw/zinc/20/77/06/607207706.db2.gz SOUWCWCUYLMFMJ-UHFFFAOYSA-N -1 1 391.233 1.272 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000823123053 607207876 /nfs/dbraw/zinc/20/78/76/607207876.db2.gz MBXJYXRHWFEHIS-LBPRGKRZSA-N -1 1 388.819 1.182 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccc(COCc2ccco2)c1 ZINC000823136308 607209090 /nfs/dbraw/zinc/20/90/90/607209090.db2.gz UVGWLOHQSBSPJG-UHFFFAOYSA-N -1 1 380.368 1.407 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 ZINC000823131975 607209710 /nfs/dbraw/zinc/20/97/10/607209710.db2.gz SXAWPTJGMAQUMF-UHFFFAOYSA-N -1 1 390.411 1.297 20 0 GDADMM Cc1ccc(C)c(OC2CCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)c1 ZINC000822231861 607210595 /nfs/dbraw/zinc/21/05/95/607210595.db2.gz JWIBUENVOCEYKQ-UHFFFAOYSA-N -1 1 382.428 1.145 20 0 GDADMM Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822423850 607210676 /nfs/dbraw/zinc/21/06/76/607210676.db2.gz PUKWEXBNWIUOLY-JTQLQIEISA-N -1 1 395.452 1.768 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccccc1OC[C@H]1CCCCO1 ZINC000823136175 607210959 /nfs/dbraw/zinc/21/09/59/607210959.db2.gz NJEXJCPWFMKMDU-GFCCVEGCSA-N -1 1 384.400 1.045 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N[C@H]1CC2CCC1CC2 ZINC000820788970 607214244 /nfs/dbraw/zinc/21/42/44/607214244.db2.gz SKMMXRKLHCKPKW-URGYJCLVSA-N -1 1 397.487 1.456 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N[C@H]1CC2CCC1CC2 ZINC000820788970 607214245 /nfs/dbraw/zinc/21/42/45/607214245.db2.gz SKMMXRKLHCKPKW-URGYJCLVSA-N -1 1 397.487 1.456 20 0 GDADMM Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822379993 607218331 /nfs/dbraw/zinc/21/83/31/607218331.db2.gz YHRDIXBFKBORKU-CQSZACIVSA-N -1 1 394.464 1.928 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cc(F)ccc1SCC(F)F ZINC000823131916 607218466 /nfs/dbraw/zinc/21/84/66/607218466.db2.gz QNCQSWWNMVCUIW-UHFFFAOYSA-N -1 1 384.347 1.593 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(COCc2ccccc2)cc1 ZINC000823132057 607220001 /nfs/dbraw/zinc/22/00/01/607220001.db2.gz XJGOTTWUDPHJMG-UHFFFAOYSA-N -1 1 390.407 1.814 20 0 GDADMM Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000822233585 607220378 /nfs/dbraw/zinc/22/03/78/607220378.db2.gz RNUYUDFGNFAKDM-GDBMZVCRSA-N -1 1 382.428 1.051 20 0 GDADMM CCc1cc(Br)ccc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821470183 607224359 /nfs/dbraw/zinc/22/43/59/607224359.db2.gz MZHOPCLYMNLBPH-UHFFFAOYSA-N -1 1 377.206 1.422 20 0 GDADMM Cc1c(Cl)cnn1CN1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000826241232 607809263 /nfs/dbraw/zinc/80/92/63/607809263.db2.gz WHHFEKFKEPTMOC-UHFFFAOYSA-N -1 1 389.851 1.670 20 0 GDADMM CC(=O)OC1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000824010115 607811689 /nfs/dbraw/zinc/81/16/89/607811689.db2.gz IRAZGCBCIQJLBU-UHFFFAOYSA-N -1 1 385.833 1.236 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@H]2CCN(c3ccccn3)C2)cc1-c1nn[n-]n1 ZINC000826229992 607811910 /nfs/dbraw/zinc/81/19/10/607811910.db2.gz ZIKPEUAREJJZAW-JTQLQIEISA-N -1 1 398.452 1.093 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CC[C@@H](C2CCOCC2)C1 ZINC000826495357 607853402 /nfs/dbraw/zinc/85/34/02/607853402.db2.gz MYYTWWITLYDSEY-GFCCVEGCSA-N -1 1 381.433 1.443 20 0 GDADMM C[C@@H](OC(=O)c1sccc1-c1nn[n-]n1)C(=O)c1ccc2c(c1)CC(=O)N2C ZINC000824729092 607856176 /nfs/dbraw/zinc/85/61/76/607856176.db2.gz INRGZHSAZFKEMI-SECBINFHSA-N -1 1 397.416 1.875 20 0 GDADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)NC1CCC2(CC1)OCCO2 ZINC000826418540 607864614 /nfs/dbraw/zinc/86/46/14/607864614.db2.gz LJJWWNUFMPSLGT-UHFFFAOYSA-N -1 1 377.376 1.187 20 0 GDADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)NC1CCC2(CC1)OCCO2 ZINC000826418540 607864615 /nfs/dbraw/zinc/86/46/15/607864615.db2.gz LJJWWNUFMPSLGT-UHFFFAOYSA-N -1 1 377.376 1.187 20 0 GDADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)NCCOc1ccc(F)cc1 ZINC000826418417 607864765 /nfs/dbraw/zinc/86/47/65/607864765.db2.gz GJNMHIFPZHYGMJ-UHFFFAOYSA-N -1 1 375.335 1.719 20 0 GDADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)NCCOc1ccc(F)cc1 ZINC000826418417 607864766 /nfs/dbraw/zinc/86/47/66/607864766.db2.gz GJNMHIFPZHYGMJ-UHFFFAOYSA-N -1 1 375.335 1.719 20 0 GDADMM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000826323723 607913258 /nfs/dbraw/zinc/91/32/58/607913258.db2.gz OYXAZQBHSPTAIF-SNVBAGLBSA-N -1 1 375.462 1.566 20 0 GDADMM C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C)c2cccc(-c3nn[nH]n3)c2)co1 ZINC000826090376 607923957 /nfs/dbraw/zinc/92/39/57/607923957.db2.gz GPTMWSJTIDBXSP-VIFPVBQESA-N -1 1 377.382 1.286 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCCc2cnc(C3CC3)nc2)cc1-c1nn[n-]n1 ZINC000826229460 607929824 /nfs/dbraw/zinc/92/98/24/607929824.db2.gz FRVSVSLABWJENX-UHFFFAOYSA-N -1 1 398.452 1.329 20 0 GDADMM Cc1cc([C@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C2CC2)ccc1F ZINC000826262775 607968921 /nfs/dbraw/zinc/96/89/21/607968921.db2.gz YJZYNOISBJHMLW-CQSZACIVSA-N -1 1 385.403 1.275 20 0 GDADMM CS(=O)(=O)c1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])ccc1Cl ZINC000826223900 607998912 /nfs/dbraw/zinc/99/89/12/607998912.db2.gz FIZHSOMFZSPFQG-UHFFFAOYSA-N -1 1 393.812 1.882 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCSC[C@@H]1CCO ZINC000826494490 608001262 /nfs/dbraw/zinc/00/12/62/608001262.db2.gz DWIIBCKTIHEJGH-JTQLQIEISA-N -1 1 389.890 1.009 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)NCCC[C@@H](C)CO)c1-c1nn[n-]n1 ZINC000826231305 608006069 /nfs/dbraw/zinc/00/60/69/608006069.db2.gz GGTUXTUUCKDXAC-SNVBAGLBSA-N -1 1 376.486 1.999 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1scnc1C1CC1 ZINC000824998918 608028941 /nfs/dbraw/zinc/02/89/41/608028941.db2.gz ACFJXLIFJQQOGA-JTQLQIEISA-N -1 1 397.468 1.342 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1scnc1C1CC1 ZINC000824998918 608028942 /nfs/dbraw/zinc/02/89/42/608028942.db2.gz ACFJXLIFJQQOGA-JTQLQIEISA-N -1 1 397.468 1.342 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCOC[C@H]1C1CC1 ZINC000826328078 608040632 /nfs/dbraw/zinc/04/06/32/608040632.db2.gz FUZBQAVMNUVSBA-INIZCTEOSA-N -1 1 396.455 1.096 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCOC[C@H]1C1CC1 ZINC000826328078 608040633 /nfs/dbraw/zinc/04/06/33/608040633.db2.gz FUZBQAVMNUVSBA-INIZCTEOSA-N -1 1 396.455 1.096 20 0 GDADMM C[C@]1(O)CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C1 ZINC000824844056 608110822 /nfs/dbraw/zinc/11/08/22/608110822.db2.gz OAPAINPDGFUIOJ-LBPRGKRZSA-N -1 1 377.348 1.031 20 0 GDADMM CC(C)c1cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)no1 ZINC000824342598 608155502 /nfs/dbraw/zinc/15/55/02/608155502.db2.gz QQHADIHWUCSPNW-LLVKDONJSA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)no1 ZINC000824342598 608155503 /nfs/dbraw/zinc/15/55/03/608155503.db2.gz QQHADIHWUCSPNW-LLVKDONJSA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)no1 ZINC000824342599 608155815 /nfs/dbraw/zinc/15/58/15/608155815.db2.gz QQHADIHWUCSPNW-NSHDSACASA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)no1 ZINC000824342599 608155817 /nfs/dbraw/zinc/15/58/17/608155817.db2.gz QQHADIHWUCSPNW-NSHDSACASA-N -1 1 383.416 1.119 20 0 GDADMM CCC1(CC)[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)[C@H](C)[C@H]1OC ZINC000825170596 608157156 /nfs/dbraw/zinc/15/71/56/608157156.db2.gz DBHULEFWILUDIX-ZLKJLUDKSA-N -1 1 380.474 1.380 20 0 GDADMM CCC1(CC)[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)[C@H](C)[C@H]1OC ZINC000825170596 608157158 /nfs/dbraw/zinc/15/71/58/608157158.db2.gz DBHULEFWILUDIX-ZLKJLUDKSA-N -1 1 380.474 1.380 20 0 GDADMM O=S(=O)(N[C@@H]1CCO[C@]2(CCOC2)C1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826489793 608159547 /nfs/dbraw/zinc/15/95/47/608159547.db2.gz ZTMMDCATSKYMOO-MEBBXXQBSA-N -1 1 399.860 1.137 20 0 GDADMM O=S(=O)(N[C@@H]1CCO[C@]2(CCOC2)C1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826489793 608159548 /nfs/dbraw/zinc/15/95/48/608159548.db2.gz ZTMMDCATSKYMOO-MEBBXXQBSA-N -1 1 399.860 1.137 20 0 GDADMM CC(=CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1cccc(F)c1 ZINC000823944135 608211051 /nfs/dbraw/zinc/21/10/51/608211051.db2.gz YJLCYLLWCHASQH-PKNBQFBNSA-N -1 1 384.419 1.806 20 0 GDADMM CC(=CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1cccc(F)c1 ZINC000823944135 608211052 /nfs/dbraw/zinc/21/10/52/608211052.db2.gz YJLCYLLWCHASQH-PKNBQFBNSA-N -1 1 384.419 1.806 20 0 GDADMM CCC(=O)Nc1cccc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000825034593 608211129 /nfs/dbraw/zinc/21/11/29/608211129.db2.gz MQVSFDASFRVEDY-UHFFFAOYSA-N -1 1 397.443 1.225 20 0 GDADMM CCC(=O)Nc1cccc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000825034593 608211130 /nfs/dbraw/zinc/21/11/30/608211130.db2.gz MQVSFDASFRVEDY-UHFFFAOYSA-N -1 1 397.443 1.225 20 0 GDADMM CC(C)Oc1ccccc1CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824333860 608212393 /nfs/dbraw/zinc/21/23/93/608212393.db2.gz ORODSUIMNSSHCT-UHFFFAOYSA-N -1 1 398.471 1.593 20 0 GDADMM CC(C)Oc1ccccc1CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824333860 608212395 /nfs/dbraw/zinc/21/23/95/608212395.db2.gz ORODSUIMNSSHCT-UHFFFAOYSA-N -1 1 398.471 1.593 20 0 GDADMM COc1ccc(CCCC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000826191678 608213444 /nfs/dbraw/zinc/21/34/44/608213444.db2.gz MUNPDMKEZSKAAM-UHFFFAOYSA-N -1 1 398.471 1.595 20 0 GDADMM COc1ccc(CCCC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000826191678 608213445 /nfs/dbraw/zinc/21/34/45/608213445.db2.gz MUNPDMKEZSKAAM-UHFFFAOYSA-N -1 1 398.471 1.595 20 0 GDADMM CSc1cc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)ccn1 ZINC000826230410 608249903 /nfs/dbraw/zinc/24/99/03/608249903.db2.gz RXFBDFQMLQCATC-UHFFFAOYSA-N -1 1 398.420 1.740 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)N2CCN3C(=O)CC[C@@H]3C2)c1-c1nn[n-]n1 ZINC000826231716 608251457 /nfs/dbraw/zinc/25/14/57/608251457.db2.gz XFBYCCLLEINRCX-LLVKDONJSA-N -1 1 399.480 1.308 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N(Cc2ccco2)Cc2cccnc2)n1 ZINC000826356808 608267107 /nfs/dbraw/zinc/26/71/07/608267107.db2.gz GQUAJFHWJVAOJB-UHFFFAOYSA-N -1 1 379.384 1.823 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N(Cc2ccco2)Cc2cccnc2)n1 ZINC000826356808 608267109 /nfs/dbraw/zinc/26/71/09/608267109.db2.gz GQUAJFHWJVAOJB-UHFFFAOYSA-N -1 1 379.384 1.823 20 0 GDADMM Nc1n[nH]c(CCCNC(=O)C(F)(F)c2ccccc2F)c1-c1nnn[n-]1 ZINC000826394960 608301609 /nfs/dbraw/zinc/30/16/09/608301609.db2.gz GQPSDUPPNYBMNJ-UHFFFAOYSA-N -1 1 380.334 1.152 20 0 GDADMM Nc1n[nH]c(CCCNC(=O)C(F)(F)c2ccccc2F)c1-c1nn[n-]n1 ZINC000826394960 608301610 /nfs/dbraw/zinc/30/16/10/608301610.db2.gz GQPSDUPPNYBMNJ-UHFFFAOYSA-N -1 1 380.334 1.152 20 0 GDADMM COC[C@@H]([N-]S(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F)c1ccc(C)o1 ZINC000826151043 608337870 /nfs/dbraw/zinc/33/78/70/608337870.db2.gz RUXOCOQPFIUCLO-CQSZACIVSA-N -1 1 395.416 1.714 20 0 GDADMM CCN(C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)[C@H](C)C(C)C ZINC000825363098 608351801 /nfs/dbraw/zinc/35/18/01/608351801.db2.gz TUYAITSQGYPVNG-LLVKDONJSA-N -1 1 376.465 1.650 20 0 GDADMM CCN(C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)[C@H](C)C(C)C ZINC000825363098 608351803 /nfs/dbraw/zinc/35/18/03/608351803.db2.gz TUYAITSQGYPVNG-LLVKDONJSA-N -1 1 376.465 1.650 20 0 GDADMM C[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)c1cccc(O)c1 ZINC000824470048 608354116 /nfs/dbraw/zinc/35/41/16/608354116.db2.gz FHHACCICRXZDPX-SNVBAGLBSA-N -1 1 398.427 1.340 20 0 GDADMM C[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)c1cccc(O)c1 ZINC000824470048 608354117 /nfs/dbraw/zinc/35/41/17/608354117.db2.gz FHHACCICRXZDPX-SNVBAGLBSA-N -1 1 398.427 1.340 20 0 GDADMM C[C@@H]1CCC[C@H](C)N(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000824929994 608355045 /nfs/dbraw/zinc/35/50/45/608355045.db2.gz ZCSYKYJJZIVSRY-NEPJUHHUSA-N -1 1 388.476 1.794 20 0 GDADMM C[C@@H]1CCC[C@H](C)N(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000824929994 608355047 /nfs/dbraw/zinc/35/50/47/608355047.db2.gz ZCSYKYJJZIVSRY-NEPJUHHUSA-N -1 1 388.476 1.794 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N2C[C@H]3CCCC[C@@H]3C2)n1 ZINC000824141923 608355673 /nfs/dbraw/zinc/35/56/73/608355673.db2.gz OKKSLHNBESWAAU-VXGBXAGGSA-N -1 1 386.460 1.405 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N2C[C@H]3CCCC[C@@H]3C2)n1 ZINC000824141923 608355675 /nfs/dbraw/zinc/35/56/75/608355675.db2.gz OKKSLHNBESWAAU-VXGBXAGGSA-N -1 1 386.460 1.405 20 0 GDADMM COCC1(C)CCN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)CC1 ZINC000826152910 608360001 /nfs/dbraw/zinc/36/00/01/608360001.db2.gz SOXSCEFVDBTFAZ-UHFFFAOYSA-N -1 1 378.458 1.578 20 0 GDADMM CCOc1ccc(Nc2ccc(-c3nnn[n-]3)nn2)cc1S(=O)(=O)N(C)C ZINC000825643715 608391572 /nfs/dbraw/zinc/39/15/72/608391572.db2.gz RZUGEZLOEVOVLT-UHFFFAOYSA-N -1 1 390.429 1.049 20 0 GDADMM CCOc1ccc(Nc2ccc(-c3nn[n-]n3)nn2)cc1S(=O)(=O)N(C)C ZINC000825643715 608391573 /nfs/dbraw/zinc/39/15/73/608391573.db2.gz RZUGEZLOEVOVLT-UHFFFAOYSA-N -1 1 390.429 1.049 20 0 GDADMM CCOc1ccc(C(=O)N2CCC(Nc3ccc(-c4nnn[n-]4)nn3)CC2)cc1 ZINC000825632688 608393388 /nfs/dbraw/zinc/39/33/88/608393388.db2.gz ZOBDLJSVUUYCAD-UHFFFAOYSA-N -1 1 394.439 1.772 20 0 GDADMM CCOc1ccc(C(=O)N2CCC(Nc3ccc(-c4nn[n-]n4)nn3)CC2)cc1 ZINC000825632688 608393390 /nfs/dbraw/zinc/39/33/90/608393390.db2.gz ZOBDLJSVUUYCAD-UHFFFAOYSA-N -1 1 394.439 1.772 20 0 GDADMM O=C(C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)N1CCc2ccccc21 ZINC000826398733 608405794 /nfs/dbraw/zinc/40/57/94/608405794.db2.gz DSQAKPXHLJZIQU-UHFFFAOYSA-N -1 1 376.424 1.462 20 0 GDADMM O=C(C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)N1CCc2ccccc21 ZINC000826398733 608405795 /nfs/dbraw/zinc/40/57/95/608405795.db2.gz DSQAKPXHLJZIQU-UHFFFAOYSA-N -1 1 376.424 1.462 20 0 GDADMM Cc1ccc2c(n1)OCCN2S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826294362 608418768 /nfs/dbraw/zinc/41/87/68/608418768.db2.gz PISZDSDDNPSKKX-UHFFFAOYSA-N -1 1 392.828 1.811 20 0 GDADMM Cc1ccc2c(n1)OCCN2S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826294362 608418770 /nfs/dbraw/zinc/41/87/70/608418770.db2.gz PISZDSDDNPSKKX-UHFFFAOYSA-N -1 1 392.828 1.811 20 0 GDADMM C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000825012041 608419491 /nfs/dbraw/zinc/41/94/91/608419491.db2.gz CSKXBOFXDPVJQO-JQWIXIFHSA-N -1 1 390.448 1.829 20 0 GDADMM C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000825012041 608419493 /nfs/dbraw/zinc/41/94/93/608419493.db2.gz CSKXBOFXDPVJQO-JQWIXIFHSA-N -1 1 390.448 1.829 20 0 GDADMM CC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C(C)(C)C1 ZINC000823982283 608422905 /nfs/dbraw/zinc/42/29/05/608422905.db2.gz YTIITWMZZCIJNM-UHFFFAOYSA-N -1 1 398.876 1.152 20 0 GDADMM CC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C(C)(C)C1 ZINC000823982283 608422906 /nfs/dbraw/zinc/42/29/06/608422906.db2.gz YTIITWMZZCIJNM-UHFFFAOYSA-N -1 1 398.876 1.152 20 0 GDADMM Cc1ccc2c(n1)OCCN2C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000826294716 608548118 /nfs/dbraw/zinc/54/81/18/608548118.db2.gz ZRMWUKFUXIEKRZ-UHFFFAOYSA-N -1 1 395.423 1.646 20 0 GDADMM c1coc(-c2nc(-c3nn[n-]n3)c(N3CCN(Cc4csnn4)CC3)o2)c1 ZINC000826526166 608549014 /nfs/dbraw/zinc/54/90/14/608549014.db2.gz NPWRJQCWLODDQE-UHFFFAOYSA-N -1 1 385.413 1.288 20 0 GDADMM CC(C)Oc1cc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)ccn1 ZINC000824315720 608557276 /nfs/dbraw/zinc/55/72/76/608557276.db2.gz WAGGYCNYWCZMHY-UHFFFAOYSA-N -1 1 385.432 1.059 20 0 GDADMM CC(C)Oc1cc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)ccn1 ZINC000824315720 608557278 /nfs/dbraw/zinc/55/72/78/608557278.db2.gz WAGGYCNYWCZMHY-UHFFFAOYSA-N -1 1 385.432 1.059 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1coc(-c2ccccc2)n1 ZINC000825935262 608560467 /nfs/dbraw/zinc/56/04/67/608560467.db2.gz YCAFYDKVXRLAQH-UHFFFAOYSA-N -1 1 393.411 1.532 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1coc(-c2ccccc2)n1 ZINC000825935262 608560469 /nfs/dbraw/zinc/56/04/69/608560469.db2.gz YCAFYDKVXRLAQH-UHFFFAOYSA-N -1 1 393.411 1.532 20 0 GDADMM C[C@H]1OCC[C@H]1C(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000825012981 608885150 /nfs/dbraw/zinc/88/51/50/608885150.db2.gz MWKYRSNKPOOYRS-VXGBXAGGSA-N -1 1 399.411 1.188 20 0 GDADMM Cc1cc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cnc1Cl ZINC000826270319 609160554 /nfs/dbraw/zinc/16/05/54/609160554.db2.gz VBFPZZHOBJDDIN-UHFFFAOYSA-N -1 1 390.839 1.625 20 0 GDADMM Cc1cc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cnc1Cl ZINC000826270319 609160555 /nfs/dbraw/zinc/16/05/55/609160555.db2.gz VBFPZZHOBJDDIN-UHFFFAOYSA-N -1 1 390.839 1.625 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1CCCN1C(=O)c1ccccc1O ZINC000826451187 609256472 /nfs/dbraw/zinc/25/64/72/609256472.db2.gz UXFQNPDISUNXRQ-AWEZNQCLSA-N -1 1 394.391 1.521 20 0 GDADMM O=C1[C@H]2COCCN2C(=O)N1Cc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000826478012 609277820 /nfs/dbraw/zinc/27/78/20/609277820.db2.gz ROJOOSXSCAMJFA-CYBMUJFWSA-N -1 1 396.432 1.758 20 0 GDADMM CC(=O)N1CCC[C@@H](C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1 ZINC000823975500 609286233 /nfs/dbraw/zinc/28/62/33/609286233.db2.gz YNRCFRUSIJSELY-GFCCVEGCSA-N -1 1 398.402 1.389 20 0 GDADMM O=C(c1ccc([O-])cc1F)N1CCN(c2cccc(F)c2-c2nn[nH]n2)CC1 ZINC000826473410 609289312 /nfs/dbraw/zinc/28/93/12/609289312.db2.gz XHRUDODRJQOEDZ-UHFFFAOYSA-N -1 1 386.362 1.813 20 0 GDADMM CC(=O)N1CCC[C@H]1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000823981737 609289961 /nfs/dbraw/zinc/28/99/61/609289961.db2.gz QGGYDDPLUBAPMB-ZDUSSCGKSA-N -1 1 384.375 1.141 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1cnn2cccnc12 ZINC000826458992 609292000 /nfs/dbraw/zinc/29/20/00/609292000.db2.gz PYKYNXKFECJWMZ-UHFFFAOYSA-N -1 1 390.342 1.487 20 0 GDADMM C[C@@H](Cc1ccc(O)cc1)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824457126 609300499 /nfs/dbraw/zinc/30/04/99/609300499.db2.gz FNLJJCBENXZGRU-NSHDSACASA-N -1 1 399.459 1.083 20 0 GDADMM C[C@@H](Cc1ccc(O)cc1)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824457126 609300501 /nfs/dbraw/zinc/30/05/01/609300501.db2.gz FNLJJCBENXZGRU-NSHDSACASA-N -1 1 399.459 1.083 20 0 GDADMM COc1cc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)ccc1C ZINC000826179666 609301182 /nfs/dbraw/zinc/30/11/82/609301182.db2.gz YMNLLVFLXHFMNY-UHFFFAOYSA-N -1 1 399.459 1.263 20 0 GDADMM COc1cc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)ccc1C ZINC000826179666 609301184 /nfs/dbraw/zinc/30/11/84/609301184.db2.gz YMNLLVFLXHFMNY-UHFFFAOYSA-N -1 1 399.459 1.263 20 0 GDADMM CC(C)[C@@H]1CCC[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1 ZINC000824216142 609301410 /nfs/dbraw/zinc/30/14/10/609301410.db2.gz OHGPPSGVNSLXTP-CHWSQXEVSA-N -1 1 389.508 1.961 20 0 GDADMM CC(C)[C@@H]1CCC[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C1 ZINC000824216142 609301411 /nfs/dbraw/zinc/30/14/11/609301411.db2.gz OHGPPSGVNSLXTP-CHWSQXEVSA-N -1 1 389.508 1.961 20 0 GDADMM C[C@H]1CCC[C@H](C)C1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824929390 609303793 /nfs/dbraw/zinc/30/37/93/609303793.db2.gz WZAANRPMFPHVET-QWRGUYRKSA-N -1 1 375.481 1.571 20 0 GDADMM C[C@H]1CCC[C@H](C)C1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824929390 609303795 /nfs/dbraw/zinc/30/37/95/609303795.db2.gz WZAANRPMFPHVET-QWRGUYRKSA-N -1 1 375.481 1.571 20 0 GDADMM NC(=O)c1cccc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)c1 ZINC000826393280 609313218 /nfs/dbraw/zinc/31/32/18/609313218.db2.gz LHZDOFCBEVKUIV-UHFFFAOYSA-N -1 1 392.354 1.543 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)[C@@H](O)c1cccnc1 ZINC000826458216 609313513 /nfs/dbraw/zinc/31/35/13/609313513.db2.gz IAYUSZAUAVCRDP-HNNXBMFYSA-N -1 1 380.343 1.259 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)[C@H](O)c1cccnc1 ZINC000826458217 609313549 /nfs/dbraw/zinc/31/35/49/609313549.db2.gz IAYUSZAUAVCRDP-OAHLLOKOSA-N -1 1 380.343 1.259 20 0 GDADMM CCC[C@H](C)NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825232298 609353876 /nfs/dbraw/zinc/35/38/76/609353876.db2.gz FZJLEKQAHBHBFG-JTQLQIEISA-N -1 1 386.391 1.435 20 0 GDADMM C[C@H]1OCCN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)[C@H]1C ZINC000825020918 609360470 /nfs/dbraw/zinc/36/04/70/609360470.db2.gz NKRBGUIDZFIMLI-WDEREUQCSA-N -1 1 386.391 1.833 20 0 GDADMM CC[S@](=O)CCNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825669564 609361341 /nfs/dbraw/zinc/36/13/41/609361341.db2.gz ZUUKLDLSXDECLK-MHZLTWQESA-N -1 1 392.420 1.082 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N[C@@H]1CCC[C@@H](O)C1 ZINC000826458107 609364147 /nfs/dbraw/zinc/36/41/47/609364147.db2.gz CVIRMYKYMABJOY-GHMZBOCLSA-N -1 1 386.391 1.617 20 0 GDADMM O=S(=O)(Nc1ccccc1)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC000826492754 609366849 /nfs/dbraw/zinc/36/68/49/609366849.db2.gz BJBPOTALXASKMQ-CYBMUJFWSA-N -1 1 386.441 1.067 20 0 GDADMM O=S(=O)(Nc1ccccc1)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC000826492754 609366852 /nfs/dbraw/zinc/36/68/52/609366852.db2.gz BJBPOTALXASKMQ-CYBMUJFWSA-N -1 1 386.441 1.067 20 0 GDADMM O=S(=O)(NC1CCCC1)[C@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000826488142 609386450 /nfs/dbraw/zinc/38/64/50/609386450.db2.gz IYRLJPMUYFEBLW-ZDUSSCGKSA-N -1 1 377.474 1.093 20 0 GDADMM O=S(=O)(NC1CCCC1)[C@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000826488142 609386452 /nfs/dbraw/zinc/38/64/52/609386452.db2.gz IYRLJPMUYFEBLW-ZDUSSCGKSA-N -1 1 377.474 1.093 20 0 GDADMM CC(C)[C@H]1C[C@@H](CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CCO1 ZINC000824216363 609415313 /nfs/dbraw/zinc/41/53/13/609415313.db2.gz QFVGQRJXQVNJJN-GXTWGEPZSA-N -1 1 390.492 1.404 20 0 GDADMM CC(C)[C@H]1C[C@@H](CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CCO1 ZINC000824216363 609415314 /nfs/dbraw/zinc/41/53/14/609415314.db2.gz QFVGQRJXQVNJJN-GXTWGEPZSA-N -1 1 390.492 1.404 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NN1Cc2ccccc2C1=O ZINC000826232613 609427316 /nfs/dbraw/zinc/42/73/16/609427316.db2.gz AGJLTCGWMRDUQK-UHFFFAOYSA-N -1 1 393.407 1.204 20 0 GDADMM CN(Cc1ncc(Cl)n1C)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825999232 609448390 /nfs/dbraw/zinc/44/83/90/609448390.db2.gz SHFRPHFACMRYIH-UHFFFAOYSA-N -1 1 385.812 1.213 20 0 GDADMM CC(C)c1nc([C@H]2CCCCCN2C(=O)Cn2cnc(-c3nn[n-]n3)n2)no1 ZINC000824358436 609504127 /nfs/dbraw/zinc/50/41/27/609504127.db2.gz JZDLTBNYVZDMCT-LLVKDONJSA-N -1 1 386.420 1.109 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCC([C@@H]2CCOC2)CC1 ZINC000826494794 609610965 /nfs/dbraw/zinc/61/09/65/609610965.db2.gz PNNLIOUCSZJZHD-GFCCVEGCSA-N -1 1 397.888 1.957 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@@H](C)[C@H]1CCCOC1 ZINC000826328454 609623205 /nfs/dbraw/zinc/62/32/05/609623205.db2.gz RMBAKRXNYNCCRT-FZMZJTMJSA-N -1 1 398.471 1.390 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@@H](C)[C@H]1CCCOC1 ZINC000826328454 609623206 /nfs/dbraw/zinc/62/32/06/609623206.db2.gz RMBAKRXNYNCCRT-FZMZJTMJSA-N -1 1 398.471 1.390 20 0 GDADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC(C)(C)COC)c(OC)c1 ZINC000534881459 650233794 /nfs/dbraw/zinc/23/37/94/650233794.db2.gz JITZFZRSERZBRJ-UHFFFAOYSA-N -1 1 394.515 1.550 20 0 GDADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(OCC(F)(F)F)nc2)co1 ZINC000535907390 650260276 /nfs/dbraw/zinc/26/02/76/650260276.db2.gz ZVLRFPGAUSIANH-UHFFFAOYSA-N -1 1 379.316 1.776 20 0 GDADMM CC(C)(NC(=O)c1cn(-c2ccc(Br)cc2)cn1)c1nn[n-]n1 ZINC000535912773 650260298 /nfs/dbraw/zinc/26/02/98/650260298.db2.gz CYKBYLMGVYLNSX-UHFFFAOYSA-N -1 1 376.218 1.813 20 0 GDADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C)ccc2NS(C)(=O)=O)co1 ZINC000535914148 650260572 /nfs/dbraw/zinc/26/05/72/650260572.db2.gz LCOZVUABDZFHBH-UHFFFAOYSA-N -1 1 387.439 1.120 20 0 GDADMM CC[C@H](CSC)N(C)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000536899884 650282786 /nfs/dbraw/zinc/28/27/86/650282786.db2.gz GJGDPEGVYLDYTC-LLVKDONJSA-N -1 1 384.520 1.959 20 0 GDADMM CC(=O)N[C@H](CC(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])c1cccs1 ZINC000537502253 650293641 /nfs/dbraw/zinc/29/36/41/650293641.db2.gz VJLZWHAYPYNVNU-GFCCVEGCSA-N -1 1 383.451 1.307 20 0 GDADMM CS[C@H](C)CCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000537996999 650302858 /nfs/dbraw/zinc/30/28/58/650302858.db2.gz BWGTXDYCSPAMGI-GFCCVEGCSA-N -1 1 388.511 1.883 20 0 GDADMM CO[C@H]1CCC[C@H]1CNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000539223149 650331202 /nfs/dbraw/zinc/33/12/02/650331202.db2.gz KYFWOCBRUVCQRW-GWCFXTLKSA-N -1 1 380.463 1.291 20 0 GDADMM O=C(CCn1cc(Cl)cn1)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000539989535 650345715 /nfs/dbraw/zinc/34/57/15/650345715.db2.gz QNVCKNNWNPCSNU-UHFFFAOYSA-N -1 1 384.845 1.712 20 0 GDADMM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]CC[C@H](O)C(F)(F)F)s1 ZINC000541772609 650390392 /nfs/dbraw/zinc/39/03/92/650390392.db2.gz CFBYHVDHZVLPFE-QMMMGPOBSA-N -1 1 377.362 1.135 20 0 GDADMM C[C@H]1C[C@@H](CCNS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CCO1 ZINC000542238174 650400830 /nfs/dbraw/zinc/40/08/30/650400830.db2.gz NHOKAYMNYVJRGS-RYUDHWBXSA-N -1 1 394.490 1.681 20 0 GDADMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2N)c(C)c1 ZINC000541864560 650394591 /nfs/dbraw/zinc/39/45/91/650394591.db2.gz YRGUYZCSQFSUCK-UHFFFAOYSA-N -1 1 385.467 1.342 20 0 GDADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2cnn(CCC(F)(F)F)c2)c1 ZINC000542368762 650404300 /nfs/dbraw/zinc/40/43/00/650404300.db2.gz PAMOLCGOTKIUKI-UHFFFAOYSA-N -1 1 378.332 1.441 20 0 GDADMM NC(=O)N1CCCN(C(=O)c2ccc(I)c([O-])c2)CC1 ZINC000544895032 650448085 /nfs/dbraw/zinc/44/80/85/650448085.db2.gz CNPLGOPAOSSDIF-UHFFFAOYSA-N -1 1 389.193 1.223 20 0 GDADMM C[C@H]1COCCN1CCNC(=O)c1ccc(I)c([O-])c1 ZINC000544859017 650447168 /nfs/dbraw/zinc/44/71/68/650447168.db2.gz DWXBNEAAJHNTQW-JTQLQIEISA-N -1 1 390.221 1.447 20 0 GDADMM COC(=O)[C@@H](NC(=O)c1ccc(I)c([O-])c1)C1CC1 ZINC000544870138 650447445 /nfs/dbraw/zinc/44/74/45/650447445.db2.gz BYOLBTMCDYGORE-NSHDSACASA-N -1 1 375.162 1.678 20 0 GDADMM CS(=O)(=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Br)o2)C1 ZINC000545356783 650454680 /nfs/dbraw/zinc/45/46/80/650454680.db2.gz KFESWOKMYIMWLG-DTWKUNHWSA-N -1 1 386.289 1.676 20 0 GDADMM C[C@H](CN1CCCC1=O)NC(=O)c1ccc(I)c([O-])c1 ZINC000545494121 650458662 /nfs/dbraw/zinc/45/86/62/650458662.db2.gz NJBIKAJBJXNDSR-SECBINFHSA-N -1 1 388.205 1.738 20 0 GDADMM CCOC(=O)[C@@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000546061469 650469346 /nfs/dbraw/zinc/46/93/46/650469346.db2.gz OTTSYZZMJGUOBE-SMDDNHRTSA-N -1 1 390.889 1.210 20 0 GDADMM COC(=O)[C@H](CC(F)F)NC(=O)c1ccc(I)c([O-])c1 ZINC000546213399 650474986 /nfs/dbraw/zinc/47/49/86/650474986.db2.gz QTJGFLOQVRWMQN-QMMMGPOBSA-N -1 1 399.131 1.923 20 0 GDADMM CCN(Cc1ccccc1Br)C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000546699769 650483703 /nfs/dbraw/zinc/48/37/03/650483703.db2.gz IXPKCEZTRHGHLQ-UHFFFAOYSA-N -1 1 376.214 1.842 20 0 GDADMM CN(CC(=O)NC(C)(C)C)C(=O)c1ccc(I)c([O-])c1 ZINC000546876168 650488783 /nfs/dbraw/zinc/48/87/83/650488783.db2.gz FXUFFXJRIDMJHR-UHFFFAOYSA-N -1 1 390.221 1.984 20 0 GDADMM NC(=O)C[C@@H]1CCCN(C(=O)c2ccc(I)c([O-])c2)C1 ZINC000546899918 650489521 /nfs/dbraw/zinc/48/95/21/650489521.db2.gz CXDDLPRYOWZYHC-VIFPVBQESA-N -1 1 388.205 1.724 20 0 GDADMM COC[C@@](C)(CCO)NC(=O)c1ccc(I)c([O-])c1 ZINC000546911629 650490237 /nfs/dbraw/zinc/49/02/37/650490237.db2.gz AALIFGJSXBGRQQ-CYBMUJFWSA-N -1 1 379.194 1.514 20 0 GDADMM O=C([O-])Cc1csc(CCNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])n1 ZINC000547556282 650501989 /nfs/dbraw/zinc/50/19/89/650501989.db2.gz KQTTYTVWWFUSTA-UHFFFAOYSA-N -1 1 389.386 1.339 20 0 GDADMM Cn1cc(S(=O)(=O)[N-]CC(=O)Nc2ccc(F)cc2)c(C(F)(F)F)n1 ZINC000549341056 650575019 /nfs/dbraw/zinc/57/50/19/650575019.db2.gz 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UBAPOUDIYNKJOQ-RQOWECAXSA-N -1 1 399.192 1.817 20 0 GDADMM CCC(C)(C)[N-]S(=O)(=O)c1c(OC)nn2cc(Br)cnc12 ZINC000913831000 660099087 /nfs/dbraw/zinc/09/90/87/660099087.db2.gz OXRYRHNXNUDSSN-UHFFFAOYSA-N -1 1 377.264 1.967 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-]CCn2ccnc2)c1F ZINC000913854933 660100430 /nfs/dbraw/zinc/10/04/30/660100430.db2.gz WSOPGXBHMZGOFF-UHFFFAOYSA-N -1 1 378.223 1.772 20 0 GDADMM COc1nn2cc(Br)cnc2c1S(=O)(=O)[N-]C[C@H](C)SC ZINC000914279217 660135325 /nfs/dbraw/zinc/13/53/25/660135325.db2.gz IPFIKXDJLBYMOC-ZETCQYMHSA-N -1 1 395.304 1.530 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2C[C@H](C)OC2=O)c1F ZINC000915657296 660175760 /nfs/dbraw/zinc/17/57/60/660175760.db2.gz LGYSYJWHPGCYLO-POYBYMJQSA-N -1 1 382.207 1.579 20 0 GDADMM COCC[C@@H]([N-]S(=O)(=O)Cc1cccc(F)c1Br)C(=O)OC ZINC000915763528 660178275 /nfs/dbraw/zinc/17/82/75/660178275.db2.gz RGQNFRHIEIFQEN-LLVKDONJSA-N -1 1 398.250 1.586 20 0 GDADMM CN1CCO[C@H]2CN(c3ncccc3S(=O)(=O)[N-]c3cccc(F)c3)C[C@@H]21 ZINC001164667053 719462781 /nfs/dbraw/zinc/46/27/81/719462781.db2.gz IIGNPTQHVSONBB-HOTGVXAUSA-N -1 1 392.456 1.541 20 0 GDADMM Cc1cc([C@@H](NC(=O)NC[C@H]2CN(CC(C)C)CCO2)C(=O)[O-])ccc1F ZINC000908759342 939315047 /nfs/dbraw/zinc/31/50/47/939315047.db2.gz FMHNYRRHEAZCAX-DOTOQJQBSA-N -1 1 381.448 1.916 20 0 GDADMM CCO[C@H]1C[C@@](NC(=O)C2CCC(N3CCOCC3)CC2)(C(=O)[O-])C1(C)C ZINC001119643254 939815610 /nfs/dbraw/zinc/81/56/10/939815610.db2.gz BMZXZIZEEDPSHU-SAONEMICSA-N -1 1 382.501 1.652 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3cccc(-c4nnn[n-]4)n3)[C@@H]2C1 ZINC001571258512 945355877 /nfs/dbraw/zinc/35/58/77/945355877.db2.gz USEGBWBQRVKOQA-BXUZGUMPSA-N -1 1 385.428 1.343 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3cccc(-c4nn[n-]n4)n3)[C@@H]2C1 ZINC001571258512 945355890 /nfs/dbraw/zinc/35/58/90/945355890.db2.gz USEGBWBQRVKOQA-BXUZGUMPSA-N -1 1 385.428 1.343 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](NC(=O)c3nccs3)[C@H]2C)n1 ZINC001571261657 945429084 /nfs/dbraw/zinc/42/90/84/945429084.db2.gz HXMRKGAIQLOQML-GHMZBOCLSA-N -1 1 385.457 1.209 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](NC(=O)c3nccs3)[C@H]2C)n1 ZINC001571261657 945429096 /nfs/dbraw/zinc/42/90/96/945429096.db2.gz HXMRKGAIQLOQML-GHMZBOCLSA-N -1 1 385.457 1.209 20 0 GDADMM CC(C)c1nc(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)cs1 ZINC001571262026 945432717 /nfs/dbraw/zinc/43/27/17/945432717.db2.gz MMTTZYQNPUPUFW-SNVBAGLBSA-N -1 1 385.457 1.245 20 0 GDADMM CC(C)c1nc(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)cs1 ZINC001571262026 945432726 /nfs/dbraw/zinc/43/27/26/945432726.db2.gz MMTTZYQNPUPUFW-SNVBAGLBSA-N -1 1 385.457 1.245 20 0 GDADMM C[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)Cc1cscn1 ZINC001571262193 945435095 /nfs/dbraw/zinc/43/50/95/945435095.db2.gz NQYSGJQORFBJSI-WDEREUQCSA-N -1 1 385.457 1.147 20 0 GDADMM C[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)Cc1cscn1 ZINC001571262193 945435103 /nfs/dbraw/zinc/43/51/03/945435103.db2.gz NQYSGJQORFBJSI-WDEREUQCSA-N -1 1 385.457 1.147 20 0 GDADMM C[C@@H]1CN(C(=O)Cc2cscn2)CC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571262357 945436843 /nfs/dbraw/zinc/43/68/43/945436843.db2.gz PUMFOECYHAGTBP-ZYHUDNBSSA-N -1 1 385.457 1.005 20 0 GDADMM C[C@@H]1CN(C(=O)Cc2cscn2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571262357 945436850 /nfs/dbraw/zinc/43/68/50/945436850.db2.gz PUMFOECYHAGTBP-ZYHUDNBSSA-N -1 1 385.457 1.005 20 0 GDADMM CCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)c2ccsn2)CC1 ZINC001571262799 945441434 /nfs/dbraw/zinc/44/14/34/945441434.db2.gz YLNMOOSGAJTRDX-UHFFFAOYSA-N -1 1 385.457 1.610 20 0 GDADMM CCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)c2ccsn2)CC1 ZINC001571262799 945441441 /nfs/dbraw/zinc/44/14/41/945441441.db2.gz YLNMOOSGAJTRDX-UHFFFAOYSA-N -1 1 385.457 1.610 20 0 GDADMM Cc1nsc(N2CC[C@H]3[C@@H]2CCCN3C(=O)c2cn[nH]c2)c1-c1nn[n-]n1 ZINC001571262854 945443224 /nfs/dbraw/zinc/44/32/24/945443224.db2.gz AMSYUCZQLSSSAK-RYUDHWBXSA-N -1 1 385.457 1.238 20 0 GDADMM Cc1nsc(N2CC[C@@H]3[C@@H]2CCCN3C(=O)c2cn[nH]c2)c1-c1nn[n-]n1 ZINC001571262853 945443879 /nfs/dbraw/zinc/44/38/79/945443879.db2.gz AMSYUCZQLSSSAK-NWDGAFQWSA-N -1 1 385.457 1.238 20 0 GDADMM Cc1nc(C)c(C(=O)N(C)[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)s1 ZINC001571262911 945446455 /nfs/dbraw/zinc/44/64/55/945446455.db2.gz BVWOITOMLFWXNK-LLVKDONJSA-N -1 1 385.457 1.081 20 0 GDADMM Cc1nc(C)c(C(=O)N(C)[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)s1 ZINC001571262911 945446459 /nfs/dbraw/zinc/44/64/59/945446459.db2.gz BVWOITOMLFWXNK-LLVKDONJSA-N -1 1 385.457 1.081 20 0 GDADMM Cc1ncc(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)[C@H]2C)s1 ZINC001571263181 945451534 /nfs/dbraw/zinc/45/15/34/945451534.db2.gz JNSLIXKZRTZIQQ-GXSJLCMTSA-N -1 1 385.457 1.209 20 0 GDADMM Cc1nsc(C)c1C(=O)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571263151 945452204 /nfs/dbraw/zinc/45/22/04/945452204.db2.gz JBBZOCMHNNQLSU-NSHDSACASA-N -1 1 385.457 1.447 20 0 GDADMM Cc1nsc(C)c1C(=O)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571263151 945452205 /nfs/dbraw/zinc/45/22/05/945452205.db2.gz JBBZOCMHNNQLSU-NSHDSACASA-N -1 1 385.457 1.447 20 0 GDADMM CC1(NS(=O)(=O)c2ccsc2-c2nn[n-]n2)CCC2(CC1)OCCO2 ZINC001571263592 945460915 /nfs/dbraw/zinc/46/09/15/945460915.db2.gz UPMORXBBYKJSQB-UHFFFAOYSA-N -1 1 385.471 1.282 20 0 GDADMM Cc1ncsc1C(=O)N1CC[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)[C@H]1C ZINC001571263556 945462034 /nfs/dbraw/zinc/46/20/34/945462034.db2.gz TXJIGCIVLITWPX-MNOVXSKESA-N -1 1 385.457 1.445 20 0 GDADMM Cc1ncsc1C(=O)N1CC[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)[C@H]1C ZINC001571263556 945462042 /nfs/dbraw/zinc/46/20/42/945462042.db2.gz TXJIGCIVLITWPX-MNOVXSKESA-N -1 1 385.457 1.445 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@@H](N(C)c3ccnc(-c4nn[n-]n4)n3)C2)ns1 ZINC001571263547 945462071 /nfs/dbraw/zinc/46/20/71/945462071.db2.gz SWJMWFSGVJKSOF-LLVKDONJSA-N -1 1 385.457 1.163 20 0 GDADMM Cc1nsc(N[C@H]2C[C@H](NC(=O)c3cnn4c3CCC4)C2)c1-c1nn[n-]n1 ZINC001571263894 945469095 /nfs/dbraw/zinc/46/90/95/945469095.db2.gz ZFYZTTADZUIQOR-MGCOHNPYSA-N -1 1 385.457 1.147 20 0 GDADMM Cc1nsc(N2CC[C@]3(NC(=O)c4cn[nH]c4)CCC[C@@H]23)c1-c1nn[n-]n1 ZINC001571263896 945469451 /nfs/dbraw/zinc/46/94/51/945469451.db2.gz ZHMFXQAGVPRCKE-BDJLRTHQSA-N -1 1 385.457 1.286 20 0 GDADMM CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(-c3nnn[n-]3)o2)NC(=S)N1 ZINC000820633547 945501076 /nfs/dbraw/zinc/50/10/76/945501076.db2.gz CFGNCZCDGUJZTA-AWEZNQCLSA-N -1 1 381.421 1.891 20 0 GDADMM CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(-c3nn[n-]n3)o2)NC(=S)N1 ZINC000820633547 945501083 /nfs/dbraw/zinc/50/10/83/945501083.db2.gz CFGNCZCDGUJZTA-AWEZNQCLSA-N -1 1 381.421 1.891 20 0 GDADMM O=C(c1cncc(Cl)c1)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571265189 945502543 /nfs/dbraw/zinc/50/25/43/945502543.db2.gz GMUISAIIJCGNEN-UHFFFAOYSA-N -1 1 385.819 1.058 20 0 GDADMM O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1cccc(-c2nnn[n-]2)n1 ZINC001571265588 945513405 /nfs/dbraw/zinc/51/34/05/945513405.db2.gz MBYSTQIAAGAQRO-UHFFFAOYSA-N -1 1 385.771 1.279 20 0 GDADMM O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1cccc(-c2nn[n-]n2)n1 ZINC001571265588 945513413 /nfs/dbraw/zinc/51/34/13/945513413.db2.gz MBYSTQIAAGAQRO-UHFFFAOYSA-N -1 1 385.771 1.279 20 0 GDADMM O=C(NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccc(F)cc1F ZINC001571267197 945563698 /nfs/dbraw/zinc/56/36/98/945563698.db2.gz MELPREQSBORRPS-UHFFFAOYSA-N -1 1 386.366 1.555 20 0 GDADMM O=C(NCC1CC(Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccc(F)cc1F ZINC001571267197 945563707 /nfs/dbraw/zinc/56/37/07/945563707.db2.gz MELPREQSBORRPS-UHFFFAOYSA-N -1 1 386.366 1.555 20 0 GDADMM Cc1cc(F)c(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c(F)c1 ZINC001571267279 945565810 /nfs/dbraw/zinc/56/58/10/945565810.db2.gz OTWANMLLTFTZCY-MGCOHNPYSA-N -1 1 386.366 1.616 20 0 GDADMM Cc1cc(F)c(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c(F)c1 ZINC001571267279 945565818 /nfs/dbraw/zinc/56/58/18/945565818.db2.gz OTWANMLLTFTZCY-MGCOHNPYSA-N -1 1 386.366 1.616 20 0 GDADMM CC[C@H](C)[C@@H](O)CNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000820860149 945574516 /nfs/dbraw/zinc/57/45/16/945574516.db2.gz HUOSAHWVZBZPOU-ZANVPECISA-N -1 1 376.486 1.998 20 0 GDADMM CC[C@H](C)NC(=O)c1cccc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC000820875904 945582462 /nfs/dbraw/zinc/58/24/62/945582462.db2.gz IFLUIRLQXFCXLU-NSHDSACASA-N -1 1 397.443 1.450 20 0 GDADMM CC[C@H](C)NC(=O)c1cccc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC000820875904 945582471 /nfs/dbraw/zinc/58/24/71/945582471.db2.gz IFLUIRLQXFCXLU-NSHDSACASA-N -1 1 397.443 1.450 20 0 GDADMM O=C(N1CC[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1)C1(F)CCCC1 ZINC001571268798 945604229 /nfs/dbraw/zinc/60/42/29/945604229.db2.gz KOEWDQSJGUVOHV-OLZOCXBDSA-N -1 1 386.435 1.509 20 0 GDADMM O=C(N1CC[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1)C1(F)CCCC1 ZINC001571268798 945604234 /nfs/dbraw/zinc/60/42/34/945604234.db2.gz KOEWDQSJGUVOHV-OLZOCXBDSA-N -1 1 386.435 1.509 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)COc1ccsc1 ZINC001571270048 945631630 /nfs/dbraw/zinc/63/16/30/945631630.db2.gz LKQSABDSFVGRGH-CMPLNLGQSA-N -1 1 386.441 1.199 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)COc1ccsc1 ZINC001571270048 945631635 /nfs/dbraw/zinc/63/16/35/945631635.db2.gz LKQSABDSFVGRGH-CMPLNLGQSA-N -1 1 386.441 1.199 20 0 GDADMM COc1ccsc1C(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571270242 945632795 /nfs/dbraw/zinc/63/27/95/945632795.db2.gz OARCVRKZYGZBHR-SNVBAGLBSA-N -1 1 386.441 1.444 20 0 GDADMM COc1ccsc1C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571270242 945632798 /nfs/dbraw/zinc/63/27/98/945632798.db2.gz OARCVRKZYGZBHR-SNVBAGLBSA-N -1 1 386.441 1.444 20 0 GDADMM Cc1nsc(N[C@@H]2CCN(C(=O)Cc3ccc[nH]3)C[C@@H]2C)c1-c1nn[n-]n1 ZINC001571271589 945646554 /nfs/dbraw/zinc/64/65/54/945646554.db2.gz FGDIRLNGQYXNCF-GXFFZTMASA-N -1 1 386.485 1.851 20 0 GDADMM CCc1nc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CCC[C@H]3OC)C2)cc(-c2nnn[n-]2)n1 ZINC001571272220 945657868 /nfs/dbraw/zinc/65/78/68/945657868.db2.gz BJBWXPGYMPFICY-GFQSEFKGSA-N -1 1 386.460 1.093 20 0 GDADMM CCc1nc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CCC[C@H]3OC)C2)cc(-c2nn[n-]n2)n1 ZINC001571272220 945657875 /nfs/dbraw/zinc/65/78/75/945657875.db2.gz BJBWXPGYMPFICY-GFQSEFKGSA-N -1 1 386.460 1.093 20 0 GDADMM O=C(NC[C@H]1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)CC1)[C@H]1CCCO1 ZINC001571272612 945667925 /nfs/dbraw/zinc/66/79/25/945667925.db2.gz GFDZRGOPHLXGMK-UMVBOHGHSA-N -1 1 386.460 1.170 20 0 GDADMM O=C(NC[C@H]1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)CC1)[C@H]1CCCO1 ZINC001571272612 945667930 /nfs/dbraw/zinc/66/79/30/945667930.db2.gz GFDZRGOPHLXGMK-UMVBOHGHSA-N -1 1 386.460 1.170 20 0 GDADMM CCc1nc(NC2CC(N(C)C(=O)C[C@@H]3CCOC3)C2)cc(-c2nnn[n-]2)n1 ZINC001571272715 945669267 /nfs/dbraw/zinc/66/92/67/945669267.db2.gz IEEBCZQARAMKED-HIFPTAJRSA-N -1 1 386.460 1.047 20 0 GDADMM CCc1nc(NC2CC(N(C)C(=O)C[C@@H]3CCOC3)C2)cc(-c2nn[n-]n2)n1 ZINC001571272715 945669270 /nfs/dbraw/zinc/66/92/70/945669270.db2.gz IEEBCZQARAMKED-HIFPTAJRSA-N -1 1 386.460 1.047 20 0 GDADMM CCc1nc(NC[C@@H]2CN(C(=O)C3(C)CCC3)CCO2)cc(-c2nnn[n-]2)n1 ZINC001571273086 945679600 /nfs/dbraw/zinc/67/96/00/945679600.db2.gz OTKNYFNDHMAYIB-GFCCVEGCSA-N -1 1 386.460 1.049 20 0 GDADMM CCc1nc(NC[C@@H]2CN(C(=O)C3(C)CCC3)CCO2)cc(-c2nn[n-]n2)n1 ZINC001571273086 945679605 /nfs/dbraw/zinc/67/96/05/945679605.db2.gz OTKNYFNDHMAYIB-GFCCVEGCSA-N -1 1 386.460 1.049 20 0 GDADMM O=C(C[C@H]1CCOC1)N1CCC[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571273193 945681926 /nfs/dbraw/zinc/68/19/26/945681926.db2.gz SEFLQIIVGGDKRJ-ZIAGYGMSSA-N -1 1 386.460 1.124 20 0 GDADMM O=C(C[C@H]1CCOC1)N1CCC[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571273193 945681931 /nfs/dbraw/zinc/68/19/31/945681931.db2.gz SEFLQIIVGGDKRJ-ZIAGYGMSSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@@H]1CN(c2cc(-c3nnn[n-]3)nc(C3CC3)n2)C[C@H]1NC(=O)OC(C)(C)C ZINC001571273458 945688075 /nfs/dbraw/zinc/68/80/75/945688075.db2.gz XUDPFMMVWGLLJO-ZWNOBZJWSA-N -1 1 386.460 1.884 20 0 GDADMM C[C@@H]1CN(c2cc(-c3nn[n-]n3)nc(C3CC3)n2)C[C@H]1NC(=O)OC(C)(C)C ZINC001571273458 945688082 /nfs/dbraw/zinc/68/80/82/945688082.db2.gz XUDPFMMVWGLLJO-ZWNOBZJWSA-N -1 1 386.460 1.884 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CN(C(=O)C[C@@H](C)C3CC3)CCO2)n1 ZINC001571273476 945689155 /nfs/dbraw/zinc/68/91/55/945689155.db2.gz YBDPXWWIGGVKRX-BXUZGUMPSA-N -1 1 386.460 1.041 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CN(C(=O)C[C@@H](C)C3CC3)CCO2)n1 ZINC001571273476 945689158 /nfs/dbraw/zinc/68/91/58/945689158.db2.gz YBDPXWWIGGVKRX-BXUZGUMPSA-N -1 1 386.460 1.041 20 0 GDADMM CCOc1cccc(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)n1 ZINC000821431385 945695054 /nfs/dbraw/zinc/69/50/54/945695054.db2.gz SLRZJPRIXITFFL-UHFFFAOYSA-N -1 1 383.412 1.949 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCC1CCOCC1 ZINC001571275741 945714383 /nfs/dbraw/zinc/71/43/83/945714383.db2.gz BQQFBIIHZOPCFX-TZMCWYRMSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCC1CCOCC1 ZINC001571275741 945714393 /nfs/dbraw/zinc/71/43/93/945714393.db2.gz BQQFBIIHZOPCFX-TZMCWYRMSA-N -1 1 386.460 1.265 20 0 GDADMM CC[C@@H]1CC[C@H](C(=O)N[C@H]2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)CC2)O1 ZINC001571275835 945716021 /nfs/dbraw/zinc/71/60/21/945716021.db2.gz DDDZSDGTGTZKHZ-RGCMKSIDSA-N -1 1 386.460 1.454 20 0 GDADMM CC[C@@H]1CC[C@H](C(=O)N[C@H]2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)CC2)O1 ZINC001571275835 945716023 /nfs/dbraw/zinc/71/60/23/945716023.db2.gz DDDZSDGTGTZKHZ-RGCMKSIDSA-N -1 1 386.460 1.454 20 0 GDADMM CC1(C)CCC[C@@H]1C(=O)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571275934 945721318 /nfs/dbraw/zinc/72/13/18/945721318.db2.gz FWGYXRVZCKMRLZ-QWHCGFSZSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CCC[C@@H]1C(=O)N1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571275934 945721324 /nfs/dbraw/zinc/72/13/24/945721324.db2.gz FWGYXRVZCKMRLZ-QWHCGFSZSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CO[C@@H](CCC(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571276605 945732476 /nfs/dbraw/zinc/73/24/76/945732476.db2.gz JMAOPLSUNSTGAX-OLZOCXBDSA-N -1 1 386.460 1.265 20 0 GDADMM CC1(C)CO[C@@H](CCC(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571276605 945732486 /nfs/dbraw/zinc/73/24/86/945732486.db2.gz JMAOPLSUNSTGAX-OLZOCXBDSA-N -1 1 386.460 1.265 20 0 GDADMM CCC1(C(=O)N2CCC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CCOCC1 ZINC001571277590 945745047 /nfs/dbraw/zinc/74/50/47/945745047.db2.gz MHDHUHYLLHRHDK-CYBMUJFWSA-N -1 1 386.460 1.266 20 0 GDADMM CCC1(C(=O)N2CCC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CCOCC1 ZINC001571277590 945745053 /nfs/dbraw/zinc/74/50/53/945745053.db2.gz MHDHUHYLLHRHDK-CYBMUJFWSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1CCN(C(=O)C[C@@H]2CCOC2)CC1 ZINC001571278617 945754992 /nfs/dbraw/zinc/75/49/92/945754992.db2.gz PNKDAQUYSLUNOQ-OLZOCXBDSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CCN(C(=O)C[C@@H]2CCOC2)CC1 ZINC001571278617 945755004 /nfs/dbraw/zinc/75/50/04/945755004.db2.gz PNKDAQUYSLUNOQ-OLZOCXBDSA-N -1 1 386.460 1.122 20 0 GDADMM Cc1nsc(N(C)[C@H]2CCN(C(=O)CCc3ccoc3)C2)c1-c1nn[n-]n1 ZINC001571281289 945801718 /nfs/dbraw/zinc/80/17/18/945801718.db2.gz GHOURIOMCDZQOZ-ZDUSSCGKSA-N -1 1 387.469 1.895 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(Cl)[nH]2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571283568 945886148 /nfs/dbraw/zinc/88/61/48/945886148.db2.gz GHJAVCJWWSJULE-ZJUUUORDSA-N -1 1 387.835 1.458 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(Cl)[nH]2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571283568 945886159 /nfs/dbraw/zinc/88/61/59/945886159.db2.gz GHJAVCJWWSJULE-ZJUUUORDSA-N -1 1 387.835 1.458 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2ccc(Cl)[nH]2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001571283868 945890330 /nfs/dbraw/zinc/89/03/30/945890330.db2.gz JTGKSLPZHKSVJP-NXEZZACHSA-N -1 1 387.835 1.426 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2ccc(Cl)[nH]2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001571283868 945890346 /nfs/dbraw/zinc/89/03/46/945890346.db2.gz JTGKSLPZHKSVJP-NXEZZACHSA-N -1 1 387.835 1.426 20 0 GDADMM CN(C(=O)c1ccc(Cl)[nH]1)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571284187 945898257 /nfs/dbraw/zinc/89/82/57/945898257.db2.gz MKXHOWLCSYUBNT-UHFFFAOYSA-N -1 1 387.835 1.379 20 0 GDADMM O=C(c1ccc(Cl)[nH]1)N1CCC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571286051 945934965 /nfs/dbraw/zinc/93/49/65/945934965.db2.gz WNYOASMVOJYNIU-SNVBAGLBSA-N -1 1 387.835 1.603 20 0 GDADMM O=C(c1ccc(Cl)[nH]1)N1CCC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571286051 945934974 /nfs/dbraw/zinc/93/49/74/945934974.db2.gz WNYOASMVOJYNIU-SNVBAGLBSA-N -1 1 387.835 1.603 20 0 GDADMM CC1(NC(=O)[C@H]2CCC[C@@H](F)C2)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571289152 945995208 /nfs/dbraw/zinc/99/52/08/945995208.db2.gz VZMKETUWVQWOOI-QWHCGFSZSA-N -1 1 388.451 1.660 20 0 GDADMM CC1(NC(=O)[C@H]2CCC[C@@H](F)C2)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571289152 945995219 /nfs/dbraw/zinc/99/52/19/945995219.db2.gz VZMKETUWVQWOOI-QWHCGFSZSA-N -1 1 388.451 1.660 20 0 GDADMM Cc1conc1C(=O)N[C@@H]1CC[C@H](C)N(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571289483 946006847 /nfs/dbraw/zinc/00/68/47/946006847.db2.gz FRBDDZFELXEBIR-GXSJLCMTSA-N -1 1 388.457 1.715 20 0 GDADMM O=C(C1CCC(F)CC1)N1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571289707 946015715 /nfs/dbraw/zinc/01/57/15/946015715.db2.gz KSJCAYUTNVPTEV-RUXDESIVSA-N -1 1 388.451 1.978 20 0 GDADMM O=C(C1CCC(F)CC1)N1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571289707 946015723 /nfs/dbraw/zinc/01/57/23/946015723.db2.gz KSJCAYUTNVPTEV-RUXDESIVSA-N -1 1 388.451 1.978 20 0 GDADMM Cc1nsc(N[C@@H](C)[C@H]2CCCCN2C(=O)c2nc[nH]n2)c1-c1nn[n-]n1 ZINC001571289740 946016822 /nfs/dbraw/zinc/01/68/22/946016822.db2.gz LMSYMRYAIFOQGX-WCBMZHEXSA-N -1 1 388.461 1.245 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@H](NC(=O)C3(F)CCCC3)C2)n1 ZINC001571289857 946021148 /nfs/dbraw/zinc/02/11/48/946021148.db2.gz OCRDPVDFPLMPPS-LBPRGKRZSA-N -1 1 388.451 1.586 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@H](NC(=O)C3(F)CCCC3)C2)n1 ZINC001571289857 946021156 /nfs/dbraw/zinc/02/11/56/946021156.db2.gz OCRDPVDFPLMPPS-LBPRGKRZSA-N -1 1 388.451 1.586 20 0 GDADMM Cc1nc(C)c(C(=O)N(C)[C@@H]2CCN(c3snc(C)c3-c3nn[n-]n3)C2)o1 ZINC001571290033 946025837 /nfs/dbraw/zinc/02/58/37/946025837.db2.gz SYURWVMEEJGDPB-LLVKDONJSA-N -1 1 388.457 1.587 20 0 GDADMM CN(C[C@H]1CCN(C(=O)C2CCC(F)CC2)C1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571290032 946027065 /nfs/dbraw/zinc/02/70/65/946027065.db2.gz SXLVRCUTMZDNFM-IYXRBSQSSA-N -1 1 388.451 1.470 20 0 GDADMM CN(C[C@H]1CCN(C(=O)C2CCC(F)CC2)C1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571290032 946027078 /nfs/dbraw/zinc/02/70/78/946027078.db2.gz SXLVRCUTMZDNFM-IYXRBSQSSA-N -1 1 388.451 1.470 20 0 GDADMM CC[C@@H]1CN(C(=O)c2nc[nH]n2)CC[C@H]1Nc1snc(C)c1-c1nn[n-]n1 ZINC001571290113 946029292 /nfs/dbraw/zinc/02/92/92/946029292.db2.gz VMXCJVUMTWXJGM-NXEZZACHSA-N -1 1 388.461 1.103 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)CCNC(=O)C2CCCCC2)n1 ZINC001571290155 946032976 /nfs/dbraw/zinc/03/29/76/946032976.db2.gz WJAPOHLTKRLIIT-UHFFFAOYSA-N -1 1 388.476 1.843 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)CCNC(=O)C2CCCCC2)n1 ZINC001571290155 946032988 /nfs/dbraw/zinc/03/29/88/946032988.db2.gz WJAPOHLTKRLIIT-UHFFFAOYSA-N -1 1 388.476 1.843 20 0 GDADMM Cc1ncoc1C(=O)N1CCC[C@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571290289 946036066 /nfs/dbraw/zinc/03/60/66/946036066.db2.gz ZUEBUKZPMVOHAT-LLVKDONJSA-N -1 1 388.457 1.892 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccc(Cl)cc1F ZINC001571290323 946040058 /nfs/dbraw/zinc/04/00/58/946040058.db2.gz AMVLDVYPGCVLAR-AOOOYVTPSA-N -1 1 388.794 1.822 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccc(Cl)cc1F ZINC001571290323 946040074 /nfs/dbraw/zinc/04/00/74/946040074.db2.gz AMVLDVYPGCVLAR-AOOOYVTPSA-N -1 1 388.794 1.822 20 0 GDADMM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cc(F)cc(Cl)c1 ZINC001571290771 946053473 /nfs/dbraw/zinc/05/34/73/946053473.db2.gz OJXRVKXFHNJQDF-LBPRGKRZSA-N -1 1 388.794 1.458 20 0 GDADMM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cc(F)cc(Cl)c1 ZINC001571290771 946053482 /nfs/dbraw/zinc/05/34/82/946053482.db2.gz OJXRVKXFHNJQDF-LBPRGKRZSA-N -1 1 388.794 1.458 20 0 GDADMM CC1(C)CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)c1ccc(Cl)o1 ZINC001571290848 946055634 /nfs/dbraw/zinc/05/56/34/946055634.db2.gz QTEMGRNYFGOTNE-SNVBAGLBSA-N -1 1 388.819 1.548 20 0 GDADMM C[C@]1(CNc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)c2ccoc2Cl)C1 ZINC001571290800 946055786 /nfs/dbraw/zinc/05/57/86/946055786.db2.gz PLYVYLHESPCVHL-MRXNPFEDSA-N -1 1 388.819 1.867 20 0 GDADMM C[C@]1(CNc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)c2ccoc2Cl)C1 ZINC001571290800 946055799 /nfs/dbraw/zinc/05/57/99/946055799.db2.gz PLYVYLHESPCVHL-MRXNPFEDSA-N -1 1 388.819 1.867 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)c2ccoc2Cl)C1 ZINC001571290853 946056581 /nfs/dbraw/zinc/05/65/81/946056581.db2.gz QVEKXYCOSPYLDL-NXEZZACHSA-N -1 1 388.819 1.866 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)c2ccoc2Cl)C1 ZINC001571290853 946056596 /nfs/dbraw/zinc/05/65/96/946056596.db2.gz QVEKXYCOSPYLDL-NXEZZACHSA-N -1 1 388.819 1.866 20 0 GDADMM Cc1nsc(N[C@H](C)[C@@H]2CCCCN2C(=O)c2cnon2)c1-c1nn[n-]n1 ZINC001571293377 946102961 /nfs/dbraw/zinc/10/29/61/946102961.db2.gz GRBWMZPKUKAWJF-KCJUWKMLSA-N -1 1 389.445 1.510 20 0 GDADMM CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571293711 946113256 /nfs/dbraw/zinc/11/32/56/946113256.db2.gz PRWVPXCRMFRPME-WCQYABFASA-N -1 1 389.460 1.098 20 0 GDADMM Cc1nsc(N[C@H]2CCCCCN(C(=O)c3cnon3)C2)c1-c1nn[n-]n1 ZINC001571293988 946122566 /nfs/dbraw/zinc/12/25/66/946122566.db2.gz XNYIAHLHVUIFRT-JTQLQIEISA-N -1 1 389.445 1.512 20 0 GDADMM O=C([C@H]1CCC1(F)F)N1CC[C@@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571294752 946142286 /nfs/dbraw/zinc/14/22/86/946142286.db2.gz LZGYIOSLWSSHND-BDJLRTHQSA-N -1 1 390.398 1.131 20 0 GDADMM O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccnc(-c3nn[n-]n3)n1)C2)C1CC(F)(F)C1 ZINC001571294890 946148165 /nfs/dbraw/zinc/14/81/65/946148165.db2.gz PGCDQPDKYYLBCQ-DLOVCJGASA-N -1 1 390.398 1.176 20 0 GDADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCCN(C(=O)c2cc(Cl)no2)C1 ZINC001571295264 946159602 /nfs/dbraw/zinc/15/96/02/946159602.db2.gz RJXGPPRFNLCBKU-SECBINFHSA-N -1 1 389.807 1.039 20 0 GDADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCCN(C(=O)c2cc(Cl)no2)C1 ZINC001571295264 946159607 /nfs/dbraw/zinc/15/96/07/946159607.db2.gz RJXGPPRFNLCBKU-SECBINFHSA-N -1 1 389.807 1.039 20 0 GDADMM O=C(NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)c1ccc(C(F)F)o1 ZINC001571295371 946161675 /nfs/dbraw/zinc/16/16/75/946161675.db2.gz YZYBKXUJCBHRCP-SECBINFHSA-N -1 1 390.354 1.586 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cccc2c1CCC2 ZINC001571298302 946213454 /nfs/dbraw/zinc/21/34/54/946213454.db2.gz MWRMBQOWHOFWTI-XBXGTLAGSA-N -1 1 390.451 1.188 20 0 GDADMM C[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)c1sccc1Cl ZINC001571298516 946219696 /nfs/dbraw/zinc/21/96/96/946219696.db2.gz ABNYAOUFRHOFFK-DTWKUNHWSA-N -1 1 390.860 1.509 20 0 GDADMM C[C@H]1CN(C(=O)C2Cc3ccccc3C2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571298569 946221970 /nfs/dbraw/zinc/22/19/70/946221970.db2.gz HBAFXIMWJIQVSY-YVEFUNNKSA-N -1 1 390.451 1.331 20 0 GDADMM C[C@H]1CN(C(=O)C2Cc3ccccc3C2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571298569 946221982 /nfs/dbraw/zinc/22/19/82/946221982.db2.gz HBAFXIMWJIQVSY-YVEFUNNKSA-N -1 1 390.451 1.331 20 0 GDADMM O=C(NC[C@H]1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)[C@@H]1Cc2ccccc21 ZINC001571298711 946227113 /nfs/dbraw/zinc/22/71/13/946227113.db2.gz PQWGGPKTCDWGON-JGGQBBKZSA-N -1 1 390.451 1.115 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CCN(c3snc(Cl)c3-c3nnn[n-]3)C2)cn1 ZINC001571298844 946229973 /nfs/dbraw/zinc/22/99/73/946229973.db2.gz FFSWGMADHVUQKP-JTQLQIEISA-N -1 1 390.860 1.689 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CCN(c3snc(Cl)c3-c3nn[n-]n3)C2)cn1 ZINC001571298844 946229988 /nfs/dbraw/zinc/22/99/88/946229988.db2.gz FFSWGMADHVUQKP-JTQLQIEISA-N -1 1 390.860 1.689 20 0 GDADMM O=C(Cc1ccccc1)N[C@@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2 ZINC001571298819 946231202 /nfs/dbraw/zinc/23/12/02/946231202.db2.gz RDZZPIAHNMJDNX-LSDHHAIUSA-N -1 1 390.451 1.161 20 0 GDADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC001571299059 946238670 /nfs/dbraw/zinc/23/86/70/946238670.db2.gz IAPGATNCFBDEBQ-ZETCQYMHSA-N -1 1 390.766 1.374 20 0 GDADMM Cc1ccc(C(=O)NC[C@@H]2[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)cc1C ZINC001571299164 946240663 /nfs/dbraw/zinc/24/06/63/946240663.db2.gz OQESSVIHBIBMLF-PHZGNYQRSA-N -1 1 390.451 1.386 20 0 GDADMM Cc1ccc(C(=O)NC[C@@H]2[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)cc1C ZINC001571299164 946240671 /nfs/dbraw/zinc/24/06/71/946240671.db2.gz OQESSVIHBIBMLF-PHZGNYQRSA-N -1 1 390.451 1.386 20 0 GDADMM O=C(CC1CC1)N1C[C@@H](c2ccccc2)[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571299161 946241643 /nfs/dbraw/zinc/24/16/43/946241643.db2.gz URTCNQLDUYYQGO-DOTOQJQBSA-N -1 1 390.451 1.863 20 0 GDADMM O=C(CC1CC1)N1C[C@@H](c2ccccc2)[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571299161 946241653 /nfs/dbraw/zinc/24/16/53/946241653.db2.gz URTCNQLDUYYQGO-DOTOQJQBSA-N -1 1 390.451 1.863 20 0 GDADMM O=C(c1cccc2c1CCC2)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001571299693 946259621 /nfs/dbraw/zinc/25/96/21/946259621.db2.gz ZEJJTDKVONKVGT-UHFFFAOYSA-N -1 1 390.451 1.862 20 0 GDADMM O=C(c1cccc2c1CCC2)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001571299693 946259633 /nfs/dbraw/zinc/25/96/33/946259633.db2.gz ZEJJTDKVONKVGT-UHFFFAOYSA-N -1 1 390.451 1.862 20 0 GDADMM Cc1ccc(CC(=O)N2C[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]3C2)cc1 ZINC001571299771 946260883 /nfs/dbraw/zinc/26/08/83/946260883.db2.gz UJLPDJBLHJEDOB-IYBDPMFKSA-N -1 1 390.451 1.102 20 0 GDADMM Cc1ccc(CC(=O)N2C[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]3C2)cc1 ZINC001571299771 946260890 /nfs/dbraw/zinc/26/08/90/946260890.db2.gz UJLPDJBLHJEDOB-IYBDPMFKSA-N -1 1 390.451 1.102 20 0 GDADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(Cc2ncccc2Br)c1 ZINC001571299927 946267569 /nfs/dbraw/zinc/26/75/69/946267569.db2.gz RGDNACGMPBEZJI-UHFFFAOYSA-N -1 1 391.185 1.021 20 0 GDADMM CS[C@H](C)C(=O)N1CCCC[C@@H]1CCNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001571300222 946277689 /nfs/dbraw/zinc/27/76/89/946277689.db2.gz XJBXNCUCJKSFEF-CHWSQXEVSA-N -1 1 390.517 1.900 20 0 GDADMM CS[C@H](C)C(=O)N1CCCC[C@@H]1CCNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001571300222 946277701 /nfs/dbraw/zinc/27/77/01/946277701.db2.gz XJBXNCUCJKSFEF-CHWSQXEVSA-N -1 1 390.517 1.900 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)NCCc1ccc(F)cc1 ZINC000823026712 946278150 /nfs/dbraw/zinc/27/81/50/946278150.db2.gz CCNVGRRQOCMZOO-UHFFFAOYSA-N -1 1 375.385 1.583 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)NCCc1ccc(F)cc1 ZINC000823026712 946278164 /nfs/dbraw/zinc/27/81/64/946278164.db2.gz CCNVGRRQOCMZOO-UHFFFAOYSA-N -1 1 375.385 1.583 20 0 GDADMM O=C(c1ccsc1Cl)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571300308 946280118 /nfs/dbraw/zinc/28/01/18/946280118.db2.gz ZIRMYLPKHIHNFH-SECBINFHSA-N -1 1 390.860 1.510 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2ccc(-c3nnn[n-]3)nn2)ccn1 ZINC001571302566 946308952 /nfs/dbraw/zinc/30/89/52/946308952.db2.gz BQWAHXUTUFSFLR-CVEARBPZSA-N -1 1 391.439 1.244 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2ccc(-c3nn[n-]n3)nn2)ccn1 ZINC001571302566 946308962 /nfs/dbraw/zinc/30/89/62/946308962.db2.gz BQWAHXUTUFSFLR-CVEARBPZSA-N -1 1 391.439 1.244 20 0 GDADMM O=C(c1ccnc(C2CC2)c1)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571302629 946311106 /nfs/dbraw/zinc/31/11/06/946311106.db2.gz CZEPJIWFQPUSPI-CQSZACIVSA-N -1 1 391.439 1.646 20 0 GDADMM O=C(c1ccnc(C2CC2)c1)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571302629 946311116 /nfs/dbraw/zinc/31/11/16/946311116.db2.gz CZEPJIWFQPUSPI-CQSZACIVSA-N -1 1 391.439 1.646 20 0 GDADMM Cc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2cnc(-c3nnn[n-]3)cn2)ccn1 ZINC001571302908 946317582 /nfs/dbraw/zinc/31/75/82/946317582.db2.gz IXUKLWBGLNMTAT-GASCZTMLSA-N -1 1 391.439 1.244 20 0 GDADMM Cc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2cnc(-c3nn[n-]n3)cn2)ccn1 ZINC001571302908 946317593 /nfs/dbraw/zinc/31/75/93/946317593.db2.gz IXUKLWBGLNMTAT-GASCZTMLSA-N -1 1 391.439 1.244 20 0 GDADMM O=C(c1ccc(C2CC2)cn1)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571303744 946347356 /nfs/dbraw/zinc/34/73/56/946347356.db2.gz WZGWHNVIIISZBA-CQSZACIVSA-N -1 1 391.439 1.646 20 0 GDADMM O=C(c1ccc(C2CC2)cn1)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571303744 946347366 /nfs/dbraw/zinc/34/73/66/946347366.db2.gz WZGWHNVIIISZBA-CQSZACIVSA-N -1 1 391.439 1.646 20 0 GDADMM C[C@@H]1CN(C(=O)C2(c3cccnc3)CC2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571304143 946359196 /nfs/dbraw/zinc/35/91/96/946359196.db2.gz YWNJDHQESPRWOK-IUODEOHRSA-N -1 1 391.439 1.042 20 0 GDADMM C[C@@H]1CN(C(=O)C2(c3cccnc3)CC2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571304143 946359204 /nfs/dbraw/zinc/35/92/04/946359204.db2.gz YWNJDHQESPRWOK-IUODEOHRSA-N -1 1 391.439 1.042 20 0 GDADMM CC[C@@H]1C[C@H]1C(=O)N1CCCO[C@@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571305472 946362917 /nfs/dbraw/zinc/36/29/17/946362917.db2.gz CCKLRCWTAXQIOG-FRRDWIJNSA-N -1 1 391.501 1.707 20 0 GDADMM Cc1nsc(N[C@H]2CCCCCN(C(=O)[C@@H]3CCCO3)C2)c1-c1nn[n-]n1 ZINC001571305836 946378653 /nfs/dbraw/zinc/37/86/53/946378653.db2.gz LLRZZDLWJVMKEU-STQMWFEESA-N -1 1 391.501 1.994 20 0 GDADMM Cc1nsc(NC[C@@H]2CCN(C(=O)CC[C@H]3CCOC3)C2)c1-c1nn[n-]n1 ZINC001571306077 946387580 /nfs/dbraw/zinc/38/75/80/946387580.db2.gz PCLCENHIKRWSRY-STQMWFEESA-N -1 1 391.501 1.709 20 0 GDADMM Cc1nsc(NC[C@H]2CCN(C(=O)CC[C@@H]3CCOC3)C2)c1-c1nn[n-]n1 ZINC001571306074 946387772 /nfs/dbraw/zinc/38/77/72/946387772.db2.gz PCLCENHIKRWSRY-CHWSQXEVSA-N -1 1 391.501 1.709 20 0 GDADMM CN(C[C@H]1CCN(C(=O)C2(C(C)(F)F)CC2)C1)c1cncc(-c2nnn[n-]2)n1 ZINC001571308098 946428605 /nfs/dbraw/zinc/42/86/05/946428605.db2.gz MQTVOGPVCPQIPT-LLVKDONJSA-N -1 1 392.414 1.377 20 0 GDADMM CN(C[C@H]1CCN(C(=O)C2(C(C)(F)F)CC2)C1)c1cncc(-c2nn[n-]n2)n1 ZINC001571308098 946428607 /nfs/dbraw/zinc/42/86/07/946428607.db2.gz MQTVOGPVCPQIPT-LLVKDONJSA-N -1 1 392.414 1.377 20 0 GDADMM O=C(N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1sccc1C(F)F ZINC001571308108 946431597 /nfs/dbraw/zinc/43/15/97/946431597.db2.gz MXPUYDFIOJTFIY-QMMMGPOBSA-N -1 1 392.395 1.665 20 0 GDADMM CN(C[C@H]1CCCN(C(=O)C2CC(F)(F)C2)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571308869 946438303 /nfs/dbraw/zinc/43/83/03/946438303.db2.gz UBMMNJJCLQTWIK-LLVKDONJSA-N -1 1 392.414 1.377 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC([C@H](C)NC(=O)[C@H]3CC3(F)F)CC2)n1 ZINC001571309105 946440311 /nfs/dbraw/zinc/44/03/11/946440311.db2.gz WQQPREHLZZKUGH-CMPLNLGQSA-N -1 1 392.414 1.341 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC([C@H](C)NC(=O)[C@H]3CC3(F)F)CC2)n1 ZINC001571309105 946440315 /nfs/dbraw/zinc/44/03/15/946440315.db2.gz WQQPREHLZZKUGH-CMPLNLGQSA-N -1 1 392.414 1.341 20 0 GDADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CCN(C(=O)[C@@H]2CCC2(F)F)CC1 ZINC001571309386 946441600 /nfs/dbraw/zinc/44/16/00/946441600.db2.gz YTMCHIOKRODEQS-JQWIXIFHSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CCN(C(=O)[C@@H]2CCC2(F)F)CC1 ZINC001571309386 946441605 /nfs/dbraw/zinc/44/16/05/946441605.db2.gz YTMCHIOKRODEQS-JQWIXIFHSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccc2c(c1)CCO2 ZINC001571309623 946448478 /nfs/dbraw/zinc/44/84/78/946448478.db2.gz FVKZWIKCWGYUNM-BXUZGUMPSA-N -1 1 392.423 1.307 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccc2c(c1)CCO2 ZINC001571309623 946448483 /nfs/dbraw/zinc/44/84/83/946448483.db2.gz FVKZWIKCWGYUNM-BXUZGUMPSA-N -1 1 392.423 1.307 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCO[C@H](c2ccco2)C1 ZINC000823601263 946453777 /nfs/dbraw/zinc/45/37/77/946453777.db2.gz YKEMMLPFFGYJSA-ZDUSSCGKSA-N -1 1 395.828 1.875 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)[C@H]1CCCC(F)(F)C1 ZINC001571310062 946461493 /nfs/dbraw/zinc/46/14/93/946461493.db2.gz UEQNLSYAIKPGCH-SDDRHHMPSA-N -1 1 392.414 1.789 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)[C@H]1CCCC(F)(F)C1 ZINC001571310062 946461501 /nfs/dbraw/zinc/46/15/01/946461501.db2.gz UEQNLSYAIKPGCH-SDDRHHMPSA-N -1 1 392.414 1.789 20 0 GDADMM O=C(NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCCC(F)(F)C1 ZINC001571310177 946463237 /nfs/dbraw/zinc/46/32/37/946463237.db2.gz XRGOAEGENGCTEP-VXGBXAGGSA-N -1 1 392.414 1.567 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)c3cccc4c3OCC4)C2)n1 ZINC001571310170 946463367 /nfs/dbraw/zinc/46/33/67/946463367.db2.gz XNJWRQTZXHHWOQ-ZDUSSCGKSA-N -1 1 392.423 1.227 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)c3cccc4c3OCC4)C2)n1 ZINC001571310170 946463374 /nfs/dbraw/zinc/46/33/74/946463374.db2.gz XNJWRQTZXHHWOQ-ZDUSSCGKSA-N -1 1 392.423 1.227 20 0 GDADMM O=C(c1ccoc1C1CC1)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571312430 946492253 /nfs/dbraw/zinc/49/22/53/946492253.db2.gz CTIWJZLCZUJYAX-BETUJISGSA-N -1 1 392.423 1.621 20 0 GDADMM O=C(c1ccoc1C1CC1)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571312430 946492259 /nfs/dbraw/zinc/49/22/59/946492259.db2.gz CTIWJZLCZUJYAX-BETUJISGSA-N -1 1 392.423 1.621 20 0 GDADMM CCc1ccccc1CC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571312970 946508236 /nfs/dbraw/zinc/50/82/36/946508236.db2.gz GMILZOCMSYGHQK-MRXNPFEDSA-N -1 1 392.467 1.547 20 0 GDADMM O=C(c1cccc2c1OCC2)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571313070 946510705 /nfs/dbraw/zinc/51/07/05/946510705.db2.gz MXFAJSLUPPMPJB-ZDUSSCGKSA-N -1 1 392.423 1.308 20 0 GDADMM O=C(c1cccc2c1OCC2)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571313070 946510710 /nfs/dbraw/zinc/51/07/10/946510710.db2.gz MXFAJSLUPPMPJB-ZDUSSCGKSA-N -1 1 392.423 1.308 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@H](C)[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571315008 946548088 /nfs/dbraw/zinc/54/80/88/946548088.db2.gz GJKFKKCKAPHLCC-GOEBONIOSA-N -1 1 392.467 1.597 20 0 GDADMM Cc1ccc(C)c(C(=O)NC[C@@H]2CCCN2c2nc(C)cc(-c3nnn[n-]3)n2)c1 ZINC001571315603 946556834 /nfs/dbraw/zinc/55/68/34/946556834.db2.gz MDGJLGFTCWMCLN-HNNXBMFYSA-N -1 1 392.467 1.981 20 0 GDADMM Cc1ccc(C)c(C(=O)NC[C@@H]2CCCN2c2nc(C)cc(-c3nn[n-]n3)n2)c1 ZINC001571315603 946556842 /nfs/dbraw/zinc/55/68/42/946556842.db2.gz MDGJLGFTCWMCLN-HNNXBMFYSA-N -1 1 392.467 1.981 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)cc1C ZINC001571315647 946559164 /nfs/dbraw/zinc/55/91/64/946559164.db2.gz NASHOPZBVHQTBZ-INIZCTEOSA-N -1 1 392.467 1.777 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)cc1C ZINC001571315647 946559173 /nfs/dbraw/zinc/55/91/73/946559173.db2.gz NASHOPZBVHQTBZ-INIZCTEOSA-N -1 1 392.467 1.777 20 0 GDADMM Cc1cccc(CC(=O)N[C@@H]2CC[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571316539 946580184 /nfs/dbraw/zinc/58/01/84/946580184.db2.gz FWLORHSWXBFAPC-HZPDHXFCSA-N -1 1 392.467 1.905 20 0 GDADMM Cc1cccc(CC(=O)N[C@@H]2CC[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571316539 946580188 /nfs/dbraw/zinc/58/01/88/946580188.db2.gz FWLORHSWXBFAPC-HZPDHXFCSA-N -1 1 392.467 1.905 20 0 GDADMM CC(=O)Nc1ccc(CCNC(=O)NCc2nc(-c3nnn[n-]3)cs2)cc1 ZINC001573547907 946842974 /nfs/dbraw/zinc/84/29/74/946842974.db2.gz XZHXJZXDKWLMIZ-UHFFFAOYSA-N -1 1 386.441 1.324 20 0 GDADMM CC(=O)Nc1ccc(CCNC(=O)NCc2nc(-c3nn[n-]n3)cs2)cc1 ZINC001573547907 946842982 /nfs/dbraw/zinc/84/29/82/946842982.db2.gz XZHXJZXDKWLMIZ-UHFFFAOYSA-N -1 1 386.441 1.324 20 0 GDADMM CCCN(C[C@H]1COc2ccccc2O1)C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825313447 947148239 /nfs/dbraw/zinc/14/82/39/947148239.db2.gz FXAFBFCPTNOSRR-ZDUSSCGKSA-N -1 1 398.423 1.784 20 0 GDADMM CCCN(C[C@H]1COc2ccccc2O1)C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825313447 947148247 /nfs/dbraw/zinc/14/82/47/947148247.db2.gz FXAFBFCPTNOSRR-ZDUSSCGKSA-N -1 1 398.423 1.784 20 0 GDADMM CCOC(=O)[C@H](CCOC(C)(C)C)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825492506 947203997 /nfs/dbraw/zinc/20/39/97/947203997.db2.gz GFISVXUDIHLEKC-ZDUSSCGKSA-N -1 1 376.417 1.128 20 0 GDADMM CCOC(=O)[C@H](CCOC(C)(C)C)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825492506 947204001 /nfs/dbraw/zinc/20/40/01/947204001.db2.gz GFISVXUDIHLEKC-ZDUSSCGKSA-N -1 1 376.417 1.128 20 0 GDADMM CCOC(=O)CC[C@@H]1CCCN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)C1 ZINC000825506119 947207571 /nfs/dbraw/zinc/20/75/71/947207571.db2.gz FCXCZQJEGQBTRB-LBPRGKRZSA-N -1 1 376.417 1.288 20 0 GDADMM CCOC(=O)CC[C@@H]1CCCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)C1 ZINC000825506119 947207587 /nfs/dbraw/zinc/20/75/87/947207587.db2.gz FCXCZQJEGQBTRB-LBPRGKRZSA-N -1 1 376.417 1.288 20 0 GDADMM CCOC(=O)CC[C@H]1CCCN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)C1 ZINC000825506118 947207877 /nfs/dbraw/zinc/20/78/77/947207877.db2.gz FCXCZQJEGQBTRB-GFCCVEGCSA-N -1 1 376.417 1.288 20 0 GDADMM CCOC(=O)CC[C@H]1CCCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)C1 ZINC000825506118 947207885 /nfs/dbraw/zinc/20/78/85/947207885.db2.gz FCXCZQJEGQBTRB-GFCCVEGCSA-N -1 1 376.417 1.288 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)NCc2ccc(C)c(F)c2)c1-c1nn[n-]n1 ZINC000825564677 947221130 /nfs/dbraw/zinc/22/11/30/947221130.db2.gz BYCWOOQWFIWXTO-UHFFFAOYSA-N -1 1 387.375 1.004 20 0 GDADMM CCOc1cccc([C@H]2C[C@H]2NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000825649348 947272870 /nfs/dbraw/zinc/27/28/70/947272870.db2.gz PLWPSESVOKNWHJ-GDBMZVCRSA-N -1 1 386.437 1.495 20 0 GDADMM CCOc1cccc([C@H]2C[C@H]2NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000825649348 947272881 /nfs/dbraw/zinc/27/28/81/947272881.db2.gz PLWPSESVOKNWHJ-GDBMZVCRSA-N -1 1 386.437 1.495 20 0 GDADMM CC[C@H](C)[C@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC000825679709 947285439 /nfs/dbraw/zinc/28/54/39/947285439.db2.gz AJZAHKKRAUDFON-XPTSAGLGSA-N -1 1 378.433 1.578 20 0 GDADMM CC[C@H](C)[C@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC000825679709 947285447 /nfs/dbraw/zinc/28/54/47/947285447.db2.gz AJZAHKKRAUDFON-XPTSAGLGSA-N -1 1 378.433 1.578 20 0 GDADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1cnc(-c2nnn[n-]2)cn1)n1cccc1 ZINC001573592384 947335389 /nfs/dbraw/zinc/33/53/89/947335389.db2.gz KCTCHMNHQZDBRI-CYBMUJFWSA-N -1 1 383.460 1.616 20 0 GDADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1cnc(-c2nn[n-]n2)cn1)n1cccc1 ZINC001573592384 947335397 /nfs/dbraw/zinc/33/53/97/947335397.db2.gz KCTCHMNHQZDBRI-CYBMUJFWSA-N -1 1 383.460 1.616 20 0 GDADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1nccnc1-c1nnn[n-]1)C(C)(F)F ZINC001573593204 947366220 /nfs/dbraw/zinc/36/62/20/947366220.db2.gz RMXSKEJCQPTVKI-JTQLQIEISA-N -1 1 382.419 1.845 20 0 GDADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1nccnc1-c1nn[n-]n1)C(C)(F)F ZINC001573593204 947366232 /nfs/dbraw/zinc/36/62/32/947366232.db2.gz RMXSKEJCQPTVKI-JTQLQIEISA-N -1 1 382.419 1.845 20 0 GDADMM C[C@@H](C(=O)N(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)C(C)(F)F ZINC001573593901 947379955 /nfs/dbraw/zinc/37/99/55/947379955.db2.gz MRNNPLDHJIAJTN-CABZTGNLSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@@H](C(=O)N(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)C(C)(F)F ZINC001573593901 947379966 /nfs/dbraw/zinc/37/99/66/947379966.db2.gz MRNNPLDHJIAJTN-CABZTGNLSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@H](C(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)nn1)c1ccsc1 ZINC001573594329 947392802 /nfs/dbraw/zinc/39/28/02/947392802.db2.gz ABEZECPIGVZMLD-LBPRGKRZSA-N -1 1 386.485 1.807 20 0 GDADMM C[C@H](C(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)nn1)c1ccsc1 ZINC001573594329 947392814 /nfs/dbraw/zinc/39/28/14/947392814.db2.gz ABEZECPIGVZMLD-LBPRGKRZSA-N -1 1 386.485 1.807 20 0 GDADMM C[C@H](C(=O)N(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)c1ccco1 ZINC001573594535 947397618 /nfs/dbraw/zinc/39/76/18/947397618.db2.gz PQANDWLUPNFMTM-SMDDNHRTSA-N -1 1 382.428 1.702 20 0 GDADMM C[C@H](C(=O)N(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)c1ccco1 ZINC001573594535 947397631 /nfs/dbraw/zinc/39/76/31/947397631.db2.gz PQANDWLUPNFMTM-SMDDNHRTSA-N -1 1 382.428 1.702 20 0 GDADMM C[C@@H](C(=O)N(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)n1cccc1 ZINC001573594563 947401424 /nfs/dbraw/zinc/40/14/24/947401424.db2.gz QLHSFCKXHZWQLU-WFASDCNBSA-N -1 1 381.444 1.368 20 0 GDADMM C[C@@H](C(=O)N(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)n1cccc1 ZINC001573594563 947401427 /nfs/dbraw/zinc/40/14/27/947401427.db2.gz QLHSFCKXHZWQLU-WFASDCNBSA-N -1 1 381.444 1.368 20 0 GDADMM C[C@@H](C(=O)N(C)CCN(C)c1nccnc1-c1nnn[n-]1)c1ccccc1F ZINC001573601829 947462421 /nfs/dbraw/zinc/46/24/21/947462421.db2.gz BQLGFZGYFLWCQR-GFCCVEGCSA-N -1 1 384.419 1.494 20 0 GDADMM C[C@@H](C(=O)N(C)CCN(C)c1nccnc1-c1nn[n-]n1)c1ccccc1F ZINC001573601829 947462430 /nfs/dbraw/zinc/46/24/30/947462430.db2.gz BQLGFZGYFLWCQR-GFCCVEGCSA-N -1 1 384.419 1.494 20 0 GDADMM C[C@H](C(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1)n1cnc2ccccc21 ZINC001573605670 947532296 /nfs/dbraw/zinc/53/22/96/947532296.db2.gz YGFQJLOCIKKVKC-GFCCVEGCSA-N -1 1 392.427 1.138 20 0 GDADMM C[C@H](C(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1)n1cnc2ccccc21 ZINC001573605670 947532302 /nfs/dbraw/zinc/53/23/02/947532302.db2.gz YGFQJLOCIKKVKC-GFCCVEGCSA-N -1 1 392.427 1.138 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1)n1cccc1 ZINC001573614296 947581574 /nfs/dbraw/zinc/58/15/74/947581574.db2.gz LOHCODGVKGKNBO-TZMCWYRMSA-N -1 1 381.444 1.368 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C1)n1cccc1 ZINC001573614296 947581585 /nfs/dbraw/zinc/58/15/85/947581585.db2.gz LOHCODGVKGKNBO-TZMCWYRMSA-N -1 1 381.444 1.368 20 0 GDADMM C=Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573351061 947607446 /nfs/dbraw/zinc/60/74/46/947607446.db2.gz JGZWLBKMQJWFRP-DOMZBBRYSA-N -1 1 376.424 1.294 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CN(C)c2ccnc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573615961 947615930 /nfs/dbraw/zinc/61/59/30/947615930.db2.gz LGJINBXKAQFJGV-QWRGUYRKSA-N -1 1 380.403 1.233 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@@H]([C@H](C)Nc3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573352131 947626421 /nfs/dbraw/zinc/62/64/21/947626421.db2.gz VXJLMDDTNGZZJT-XJKSGUPXSA-N -1 1 390.451 1.684 20 0 GDADMM C=Cc1ccc(C(=O)N(C)CC(C)(C)CNc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001573352240 947630635 /nfs/dbraw/zinc/63/06/35/947630635.db2.gz ZLFIUWUHENMGTM-UHFFFAOYSA-N -1 1 392.467 1.932 20 0 GDADMM C=Cc1ccc(C(=O)N[C@H](CNc2nccnc2-c2nnn[n-]2)C2CC2)cc1 ZINC001573354385 947631980 /nfs/dbraw/zinc/63/19/80/947631980.db2.gz BNAPOGYNTVZBQI-OAHLLOKOSA-N -1 1 376.424 1.920 20 0 GDADMM C=Cc1ccc(C(=O)N[C@H](CNc2nccnc2-c2nn[n-]n2)C2CC2)cc1 ZINC001573354385 947631990 /nfs/dbraw/zinc/63/19/90/947631990.db2.gz BNAPOGYNTVZBQI-OAHLLOKOSA-N -1 1 376.424 1.920 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573354386 947632803 /nfs/dbraw/zinc/63/28/03/947632803.db2.gz BNLBLEMQUUKGNQ-HNNXBMFYSA-N -1 1 390.451 1.946 20 0 GDADMM C=Cc1ccc(C(=O)N2CCO[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001573354584 947634400 /nfs/dbraw/zinc/63/44/00/947634400.db2.gz DMOXTFCEQWBGCU-OAHLLOKOSA-N -1 1 392.423 1.253 20 0 GDADMM C=Cc1ccc(C(=O)N2CCO[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001573354584 947634407 /nfs/dbraw/zinc/63/44/07/947634407.db2.gz DMOXTFCEQWBGCU-OAHLLOKOSA-N -1 1 392.423 1.253 20 0 GDADMM C[C@H](C(=O)N1CCC(CNc2nccnc2-c2nnn[n-]2)CC1)n1cccc1 ZINC001573617438 947635880 /nfs/dbraw/zinc/63/58/80/947635880.db2.gz LQXPPDCSWAARFO-CYBMUJFWSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@H](C(=O)N1CCC(CNc2nccnc2-c2nn[n-]n2)CC1)n1cccc1 ZINC001573617438 947635888 /nfs/dbraw/zinc/63/58/88/947635888.db2.gz LQXPPDCSWAARFO-CYBMUJFWSA-N -1 1 381.444 1.370 20 0 GDADMM C=Cc1ccc(C(=O)NCC2CC(Nc3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001573355119 947640104 /nfs/dbraw/zinc/64/01/04/947640104.db2.gz NILZJJFDEZUUNA-UHFFFAOYSA-N -1 1 376.424 1.920 20 0 GDADMM C=Cc1ccc(C(=O)NCC2CC(Nc3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001573355119 947640109 /nfs/dbraw/zinc/64/01/09/947640109.db2.gz NILZJJFDEZUUNA-UHFFFAOYSA-N -1 1 376.424 1.920 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CN(C)c2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001573618299 947648310 /nfs/dbraw/zinc/64/83/10/947648310.db2.gz RONMTSFWOSRGPU-UONOGXRCSA-N -1 1 381.444 1.004 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CN(C)c2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001573618299 947648312 /nfs/dbraw/zinc/64/83/12/947648312.db2.gz RONMTSFWOSRGPU-UONOGXRCSA-N -1 1 381.444 1.004 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1ccsc1 ZINC001573618404 947649707 /nfs/dbraw/zinc/64/97/07/947649707.db2.gz RWEOJJGPJCGTND-RYUDHWBXSA-N -1 1 384.469 1.204 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)cc1 ZINC001573356289 947650616 /nfs/dbraw/zinc/65/06/16/947650616.db2.gz WFPPVEJDWUKGOO-OAHLLOKOSA-N -1 1 376.424 1.699 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)cc1 ZINC001573356289 947650622 /nfs/dbraw/zinc/65/06/22/947650622.db2.gz WFPPVEJDWUKGOO-OAHLLOKOSA-N -1 1 376.424 1.699 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CN(C)c2cncc(-c3nnn[n-]3)n2)C1)C(C)(F)F ZINC001573619000 947660878 /nfs/dbraw/zinc/66/08/78/947660878.db2.gz UXNXTNOHDRGCHW-WDEREUQCSA-N -1 1 380.403 1.233 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CN(C)c2cncc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573619000 947660891 /nfs/dbraw/zinc/66/08/91/947660891.db2.gz UXNXTNOHDRGCHW-WDEREUQCSA-N -1 1 380.403 1.233 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cc1 ZINC001573358958 947674920 /nfs/dbraw/zinc/67/49/20/947674920.db2.gz MRYNDQISMFVVIB-CZUORRHYSA-N -1 1 390.451 1.802 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cc1 ZINC001573358958 947674928 /nfs/dbraw/zinc/67/49/28/947674928.db2.gz MRYNDQISMFVVIB-CZUORRHYSA-N -1 1 390.451 1.802 20 0 GDADMM C=Cc1ccc(C(=O)NCCN(CC)c2nc(C)cc(-c3nnn[n-]3)n2)cc1 ZINC001573359163 947678480 /nfs/dbraw/zinc/67/84/80/947678480.db2.gz PRZBEVPCTXKGBW-UHFFFAOYSA-N -1 1 378.440 1.864 20 0 GDADMM C=Cc1ccc(C(=O)NCCN(CC)c2nc(C)cc(-c3nn[n-]n3)n2)cc1 ZINC001573359163 947678486 /nfs/dbraw/zinc/67/84/86/947678486.db2.gz PRZBEVPCTXKGBW-UHFFFAOYSA-N -1 1 378.440 1.864 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCc1ccc(Cl)cn1 ZINC000826232753 947682770 /nfs/dbraw/zinc/68/27/70/947682770.db2.gz HFGPJBZNGNXHKK-UHFFFAOYSA-N -1 1 387.831 1.882 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001573627539 947726432 /nfs/dbraw/zinc/72/64/32/947726432.db2.gz ACNUOPLSYXGEJZ-STQMWFEESA-N -1 1 382.428 1.704 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001573627539 947726446 /nfs/dbraw/zinc/72/64/46/947726446.db2.gz ACNUOPLSYXGEJZ-STQMWFEESA-N -1 1 382.428 1.704 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573627726 947731867 /nfs/dbraw/zinc/73/18/67/947731867.db2.gz FRYVVLQQJABLRR-UKRRQHHQSA-N -1 1 384.488 1.698 20 0 GDADMM C/C(=C\C(=O)N1CC[C@@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1)C1CC1 ZINC001573365582 947731803 /nfs/dbraw/zinc/73/18/03/947731803.db2.gz SZVUWPVXPTXLPZ-YFPIXMDGSA-N -1 1 380.456 1.442 20 0 GDADMM C/C(=C\C(=O)N1CC[C@@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1)C1CC1 ZINC001573365582 947731812 /nfs/dbraw/zinc/73/18/12/947731812.db2.gz SZVUWPVXPTXLPZ-YFPIXMDGSA-N -1 1 380.456 1.442 20 0 GDADMM C[C@@H](C(=O)N1CC[C@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1)C(C)(C)C ZINC001573628011 947742468 /nfs/dbraw/zinc/74/24/68/947742468.db2.gz FBRBETJILGWGMR-DJJJIMSYSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1)c1cccnc1 ZINC001573628049 947743813 /nfs/dbraw/zinc/74/38/13/947743813.db2.gz HRHMELARWDRGBU-GXTWGEPZSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001573628049 947743816 /nfs/dbraw/zinc/74/38/16/947743816.db2.gz HRHMELARWDRGBU-GXTWGEPZSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cccs1 ZINC001573628178 947747692 /nfs/dbraw/zinc/74/76/92/947747692.db2.gz GCQLLSXBPULLJO-RYUDHWBXSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573628178 947747707 /nfs/dbraw/zinc/74/77/07/947747707.db2.gz GCQLLSXBPULLJO-RYUDHWBXSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](CN(C)c2cnc(-c3nnn[n-]3)cn2)C1)C1CCC1 ZINC001573628223 947748169 /nfs/dbraw/zinc/74/81/69/947748169.db2.gz GRDWEZMKDWZNLG-ZIAGYGMSSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](CN(C)c2cnc(-c3nn[n-]n3)cn2)C1)C1CCC1 ZINC001573628223 947748174 /nfs/dbraw/zinc/74/81/74/947748174.db2.gz GRDWEZMKDWZNLG-ZIAGYGMSSA-N -1 1 384.488 1.768 20 0 GDADMM CC(=O)[C@H]([N-]S(=O)(=O)c1cccc(-c2nn[nH]n2)c1)c1ccccc1F ZINC001573366999 947749284 /nfs/dbraw/zinc/74/92/84/947749284.db2.gz VYIGLCHJHUNNJI-HNNXBMFYSA-N -1 1 375.385 1.614 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC001573628285 947749753 /nfs/dbraw/zinc/74/97/53/947749753.db2.gz KFSMDTSOHSJMMG-CHWSQXEVSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC001573628285 947749758 /nfs/dbraw/zinc/74/97/58/947749758.db2.gz KFSMDTSOHSJMMG-CHWSQXEVSA-N -1 1 382.428 1.846 20 0 GDADMM C/C(=C/C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001573367032 947753600 /nfs/dbraw/zinc/75/36/00/947753600.db2.gz ZQQSAHAEYBRZED-HRFGFKIASA-N -1 1 380.456 1.583 20 0 GDADMM C/C(=C/C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001573367032 947753611 /nfs/dbraw/zinc/75/36/11/947753611.db2.gz ZQQSAHAEYBRZED-HRFGFKIASA-N -1 1 380.456 1.583 20 0 GDADMM CC(=O)[C@H]([N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)c(C)c1)c1ccccc1F ZINC001573367238 947756818 /nfs/dbraw/zinc/75/68/18/947756818.db2.gz YRXGEADKTVCMCM-INIZCTEOSA-N -1 1 389.412 1.923 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573628548 947756940 /nfs/dbraw/zinc/75/69/40/947756940.db2.gz MTCTZDIBXXOWHW-DZGCQCFKSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573628548 947756944 /nfs/dbraw/zinc/75/69/44/947756944.db2.gz MTCTZDIBXXOWHW-DZGCQCFKSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1)C1CC1 ZINC001573628479 947756950 /nfs/dbraw/zinc/75/69/50/947756950.db2.gz LPKNBKHZQISADT-DJJJIMSYSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1)C1CC1 ZINC001573628479 947756952 /nfs/dbraw/zinc/75/69/52/947756952.db2.gz LPKNBKHZQISADT-DJJJIMSYSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccnc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573628626 947760592 /nfs/dbraw/zinc/76/05/92/947760592.db2.gz NAIOEQXQJKNNOB-RDBSUJKOSA-N -1 1 384.488 1.909 20 0 GDADMM Cc1cc(C)n(-c2ccc(CNC(=O)Cc3noc(C)c3-c3nnn[n-]3)cn2)n1 ZINC000826264825 947764480 /nfs/dbraw/zinc/76/44/80/947764480.db2.gz BMAZQSBSNIPBAS-UHFFFAOYSA-N -1 1 393.411 1.220 20 0 GDADMM Cc1cc(C)n(-c2ccc(CNC(=O)Cc3noc(C)c3-c3nn[n-]n3)cn2)n1 ZINC000826264825 947764486 /nfs/dbraw/zinc/76/44/86/947764486.db2.gz BMAZQSBSNIPBAS-UHFFFAOYSA-N -1 1 393.411 1.220 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@]2(C1)CCCN(c1cnc(-c3nnn[n-]3)cn1)C2)C1CC1 ZINC001573629295 947777247 /nfs/dbraw/zinc/77/72/47/947777247.db2.gz NHMUGCABFUBYTD-YJYMSZOUSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@]2(C1)CCCN(c1cnc(-c3nn[n-]n3)cn1)C2)C1CC1 ZINC001573629295 947777252 /nfs/dbraw/zinc/77/72/52/947777252.db2.gz NHMUGCABFUBYTD-YJYMSZOUSA-N -1 1 382.472 1.522 20 0 GDADMM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)ccc1-n1nnnc1C(C)C ZINC000826270787 947785340 /nfs/dbraw/zinc/78/53/40/947785340.db2.gz PBDOFLAYRKVXHL-UHFFFAOYSA-N -1 1 390.411 1.922 20 0 GDADMM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)ccc1-n1nnnc1C(C)C ZINC000826270787 947785345 /nfs/dbraw/zinc/78/53/45/947785345.db2.gz PBDOFLAYRKVXHL-UHFFFAOYSA-N -1 1 390.411 1.922 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573373375 947791961 /nfs/dbraw/zinc/79/19/61/947791961.db2.gz IKAACGHUXURIRG-SECBINFHSA-N -1 1 383.865 1.749 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573373375 947791967 /nfs/dbraw/zinc/79/19/67/947791967.db2.gz IKAACGHUXURIRG-SECBINFHSA-N -1 1 383.865 1.749 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CC[C@H](C)N(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573373802 947798611 /nfs/dbraw/zinc/79/86/11/947798611.db2.gz FZAPFRYPHRWJKX-JSGCOSHPSA-N -1 1 386.460 1.198 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CC[C@H](C)N(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573373802 947798620 /nfs/dbraw/zinc/79/86/20/947798620.db2.gz FZAPFRYPHRWJKX-JSGCOSHPSA-N -1 1 386.460 1.198 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)C(C)(F)F ZINC001573631531 947801507 /nfs/dbraw/zinc/80/15/07/947801507.db2.gz VZFUFVMFOBSFAW-WDEREUQCSA-N -1 1 380.403 1.375 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573631531 947801512 /nfs/dbraw/zinc/80/15/12/947801512.db2.gz VZFUFVMFOBSFAW-WDEREUQCSA-N -1 1 380.403 1.375 20 0 GDADMM Cc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cc1O ZINC000826282050 947809332 /nfs/dbraw/zinc/80/93/32/947809332.db2.gz VXFIAQLPIKDNJC-GFCCVEGCSA-N -1 1 380.412 1.022 20 0 GDADMM Cc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cc1O ZINC000826282050 947809340 /nfs/dbraw/zinc/80/93/40/947809340.db2.gz VXFIAQLPIKDNJC-GFCCVEGCSA-N -1 1 380.412 1.022 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)c1ccco1 ZINC001573632305 947812368 /nfs/dbraw/zinc/81/23/68/947812368.db2.gz ZYTLUAGXCCHQEB-CHWSQXEVSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001573632305 947812377 /nfs/dbraw/zinc/81/23/77/947812377.db2.gz ZYTLUAGXCCHQEB-CHWSQXEVSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)c1ccco1 ZINC001573637574 947816541 /nfs/dbraw/zinc/81/65/41/947816541.db2.gz JGVKXRHVBRPYJK-STQMWFEESA-N -1 1 382.428 1.268 20 0 GDADMM C[C@@H](C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1)c1cccnc1 ZINC001573638179 947836015 /nfs/dbraw/zinc/83/60/15/947836015.db2.gz IDMOASDAWLLUOP-CYBMUJFWSA-N -1 1 383.481 1.771 20 0 GDADMM CC(=O)CCCC(=O)N1CCCCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573376383 947836030 /nfs/dbraw/zinc/83/60/30/947836030.db2.gz ZQFHPMCGBRKANP-AWEZNQCLSA-N -1 1 386.460 1.599 20 0 GDADMM CC(=O)CCCC(=O)N1CCCCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573376383 947836039 /nfs/dbraw/zinc/83/60/39/947836039.db2.gz ZQFHPMCGBRKANP-AWEZNQCLSA-N -1 1 386.460 1.599 20 0 GDADMM C[C@@H](C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1)[C@@H]1CCCO1 ZINC001573638338 947837923 /nfs/dbraw/zinc/83/79/23/947837923.db2.gz KOGIAAKRPPZQOU-OCCSQVGLSA-N -1 1 376.486 1.388 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]2O[C@@H](c3ccccc3)C[C@H]21)n1cnc(-c2nn[n-]n2)n1 ZINC001573638540 947840510 /nfs/dbraw/zinc/84/05/10/947840510.db2.gz OMWRTZDTJGXZPU-DTZQCDIJSA-N -1 1 394.439 1.540 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](CNc2cncc(-c3nnn[n-]3)n2)[C@H](C)C1)C(F)(F)F ZINC001573647289 947890589 /nfs/dbraw/zinc/89/05/89/947890589.db2.gz HDCTZEYAHCAGCM-OPRDCNLKSA-N -1 1 384.366 1.362 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](CNc2cncc(-c3nn[n-]n3)n2)[C@H](C)C1)C(F)(F)F ZINC001573647289 947890599 /nfs/dbraw/zinc/89/05/99/947890599.db2.gz HDCTZEYAHCAGCM-OPRDCNLKSA-N -1 1 384.366 1.362 20 0 GDADMM C[C@H](C(=O)N[C@](C)(CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)C(C)(F)F ZINC001573652544 947942532 /nfs/dbraw/zinc/94/25/32/947942532.db2.gz DLKZLJPSSLYLEO-RFAUZJTJSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@H](C(=O)N[C@](C)(CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)C(C)(F)F ZINC001573652544 947942536 /nfs/dbraw/zinc/94/25/36/947942536.db2.gz DLKZLJPSSLYLEO-RFAUZJTJSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@H](C(=O)N[C@@](C)(CNc1cncc(-c2nnn[n-]2)n1)C1CC1)C(F)(F)F ZINC001573652700 947946905 /nfs/dbraw/zinc/94/69/05/947946905.db2.gz GREBZVONKAETQC-CLAHSXSESA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](C(=O)N[C@@](C)(CNc1cncc(-c2nn[n-]n2)n1)C1CC1)C(F)(F)F ZINC001573652700 947946915 /nfs/dbraw/zinc/94/69/15/947946915.db2.gz GREBZVONKAETQC-CLAHSXSESA-N -1 1 384.366 1.552 20 0 GDADMM Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000826327243 947954641 /nfs/dbraw/zinc/95/46/41/947954641.db2.gz ZAVIGRDZICIGGO-UHFFFAOYSA-N -1 1 391.417 1.446 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C(C)(C)C)C(C)(F)F ZINC001573653615 947957160 /nfs/dbraw/zinc/95/71/60/947957160.db2.gz MCENFALEVNKDSQ-KOLCDFICSA-N -1 1 382.419 1.891 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C(C)(C)C)C(C)(F)F ZINC001573653615 947957168 /nfs/dbraw/zinc/95/71/68/947957168.db2.gz MCENFALEVNKDSQ-KOLCDFICSA-N -1 1 382.419 1.891 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)c1ccsc1 ZINC001573653959 947961708 /nfs/dbraw/zinc/96/17/08/947961708.db2.gz OSVWREFUVBTFJW-IINYFYTJSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)c1ccsc1 ZINC001573653959 947961714 /nfs/dbraw/zinc/96/17/14/947961714.db2.gz OSVWREFUVBTFJW-IINYFYTJSA-N -1 1 384.469 1.829 20 0 GDADMM Cc1onc(CC(=O)N(C)Cc2cn(C)nc2C(F)(F)F)c1-c1nnn[n-]1 ZINC000826343291 947988664 /nfs/dbraw/zinc/98/86/64/947988664.db2.gz USHUDRPLOMXXQY-UHFFFAOYSA-N -1 1 384.322 1.117 20 0 GDADMM Cc1onc(CC(=O)N(C)Cc2cn(C)nc2C(F)(F)F)c1-c1nn[n-]n1 ZINC000826343291 947988672 /nfs/dbraw/zinc/98/86/72/947988672.db2.gz USHUDRPLOMXXQY-UHFFFAOYSA-N -1 1 384.322 1.117 20 0 GDADMM Cc1onc(CC(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1-c1nnn[n-]1 ZINC000826343812 947997349 /nfs/dbraw/zinc/99/73/49/947997349.db2.gz NVZGDKRVHRKICV-LLVKDONJSA-N -1 1 391.432 1.079 20 0 GDADMM Cc1onc(CC(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1-c1nn[n-]n1 ZINC000826343812 947997363 /nfs/dbraw/zinc/99/73/63/947997363.db2.gz NVZGDKRVHRKICV-LLVKDONJSA-N -1 1 391.432 1.079 20 0 GDADMM C[C@H](C(=O)NC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C(C)(F)F ZINC001573657118 947998754 /nfs/dbraw/zinc/99/87/54/947998754.db2.gz KZXIMKDXVJEBEJ-SNVBAGLBSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H](C(=O)NC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C(C)(F)F ZINC001573657118 947998759 /nfs/dbraw/zinc/99/87/59/947998759.db2.gz KZXIMKDXVJEBEJ-SNVBAGLBSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](C(=O)NC1(CNc2ccc(-c3nnn[n-]3)nn2)CCCC1)n1cccc1 ZINC001573657363 947999995 /nfs/dbraw/zinc/99/99/95/947999995.db2.gz MOUHBIPMWVOJGH-ZDUSSCGKSA-N -1 1 381.444 1.560 20 0 GDADMM C[C@@H](C(=O)NC1(CNc2ccc(-c3nn[n-]n3)nn2)CCCC1)n1cccc1 ZINC001573657363 948000007 /nfs/dbraw/zinc/00/00/07/948000007.db2.gz MOUHBIPMWVOJGH-ZDUSSCGKSA-N -1 1 381.444 1.560 20 0 GDADMM C[C@@H](C(=O)NC1(CNc2ccnc(-c3nn[n-]n3)n2)CCCC1)c1ccco1 ZINC001573657626 948001286 /nfs/dbraw/zinc/00/12/86/948001286.db2.gz NUAFELHDHGBFFU-GFCCVEGCSA-N -1 1 382.428 1.316 20 0 GDADMM C[C@@H](C(=O)NC1(CCO)CN(Cc2ccc(-c3nn[n-]n3)s2)C1)C1CC1 ZINC001573657648 948003174 /nfs/dbraw/zinc/00/31/74/948003174.db2.gz OAOXNTQDQIQJNR-LLVKDONJSA-N -1 1 376.486 1.027 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@@H](c3nncn3C(C)C)C2)c1-c1nnn[n-]1 ZINC000826344529 948008466 /nfs/dbraw/zinc/00/84/66/948008466.db2.gz KLDYWLSFUBARMZ-GFCCVEGCSA-N -1 1 385.432 1.284 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@@H](c3nncn3C(C)C)C2)c1-c1nn[n-]n1 ZINC000826344529 948008469 /nfs/dbraw/zinc/00/84/69/948008469.db2.gz KLDYWLSFUBARMZ-GFCCVEGCSA-N -1 1 385.432 1.284 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](C)COc2ccc(F)cc2F)c1-c1nnn[n-]1 ZINC000826345741 948028978 /nfs/dbraw/zinc/02/89/78/948028978.db2.gz SNDSXLQUTFVXQI-QMMMGPOBSA-N -1 1 378.339 1.568 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](C)COc2ccc(F)cc2F)c1-c1nn[n-]n1 ZINC000826345741 948028988 /nfs/dbraw/zinc/02/89/88/948028988.db2.gz SNDSXLQUTFVXQI-QMMMGPOBSA-N -1 1 378.339 1.568 20 0 GDADMM Cc1onc(CC(=O)NCC(=O)Nc2cccc3ccccc32)c1-c1nnn[n-]1 ZINC000826346299 948037344 /nfs/dbraw/zinc/03/73/44/948037344.db2.gz JCTOSKJLMNGQPX-UHFFFAOYSA-N -1 1 391.391 1.614 20 0 GDADMM Cc1onc(CC(=O)NCC(=O)Nc2cccc3ccccc32)c1-c1nn[n-]n1 ZINC000826346299 948037351 /nfs/dbraw/zinc/03/73/51/948037351.db2.gz JCTOSKJLMNGQPX-UHFFFAOYSA-N -1 1 391.391 1.614 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2)C(C)(C)C ZINC001573663740 948038768 /nfs/dbraw/zinc/03/87/68/948038768.db2.gz PFZZQSRGZKAXRW-TZMCWYRMSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2)C(C)(C)C ZINC001573663740 948038778 /nfs/dbraw/zinc/03/87/78/948038778.db2.gz PFZZQSRGZKAXRW-TZMCWYRMSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1)c1ccco1 ZINC001573664545 948054984 /nfs/dbraw/zinc/05/49/84/948054984.db2.gz FPJOPEFBGKFHAL-STQMWFEESA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1)c1ccco1 ZINC001573664545 948054997 /nfs/dbraw/zinc/05/49/97/948054997.db2.gz FPJOPEFBGKFHAL-STQMWFEESA-N -1 1 382.428 1.529 20 0 GDADMM Cc1onc(CC(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)c1-c1nnn[n-]1 ZINC000826347668 948058916 /nfs/dbraw/zinc/05/89/16/948058916.db2.gz ZIIDCBJSQVQJIV-KBXCAEBGSA-N -1 1 382.424 1.990 20 0 GDADMM Cc1onc(CC(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)c1-c1nn[n-]n1 ZINC000826347668 948058921 /nfs/dbraw/zinc/05/89/21/948058921.db2.gz ZIIDCBJSQVQJIV-KBXCAEBGSA-N -1 1 382.424 1.990 20 0 GDADMM Cc1onc(CC(=O)NCc2cccc(CN3CCCC3=O)c2)c1-c1nnn[n-]1 ZINC000826348153 948068673 /nfs/dbraw/zinc/06/86/73/948068673.db2.gz XMICDCRJNMHUMW-UHFFFAOYSA-N -1 1 395.423 1.144 20 0 GDADMM Cc1onc(CC(=O)NCc2cccc(CN3CCCC3=O)c2)c1-c1nn[n-]n1 ZINC000826348153 948068684 /nfs/dbraw/zinc/06/86/84/948068684.db2.gz XMICDCRJNMHUMW-UHFFFAOYSA-N -1 1 395.423 1.144 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)n1cccc1 ZINC001573666051 948081393 /nfs/dbraw/zinc/08/13/93/948081393.db2.gz PIJGRRSXSSKXLR-KGLIPLIRSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)n1cccc1 ZINC001573666051 948081405 /nfs/dbraw/zinc/08/14/05/948081405.db2.gz PIJGRRSXSSKXLR-KGLIPLIRSA-N -1 1 381.444 1.195 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N(Cc2ccccc2)[C@H](CO)C2CC2)n1 ZINC000826357161 948111051 /nfs/dbraw/zinc/11/10/51/948111051.db2.gz UBPKQOAKRIBIBK-OAHLLOKOSA-N -1 1 382.428 1.405 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N(Cc2ccccc2)[C@H](CO)C2CC2)n1 ZINC000826357161 948111054 /nfs/dbraw/zinc/11/10/54/948111054.db2.gz UBPKQOAKRIBIBK-OAHLLOKOSA-N -1 1 382.428 1.405 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccccc1F ZINC001573677096 948131996 /nfs/dbraw/zinc/13/19/96/948131996.db2.gz VSRWHKNWTUJSEF-VXGBXAGGSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccccc1F ZINC001573677096 948132002 /nfs/dbraw/zinc/13/20/02/948132002.db2.gz VSRWHKNWTUJSEF-VXGBXAGGSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@H](C(=O)N[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC1(C)C)C(F)(F)F ZINC001573677822 948141284 /nfs/dbraw/zinc/14/12/84/948141284.db2.gz FLUFTUNBNWTSIR-BDAKNGLRSA-N -1 1 384.366 1.186 20 0 GDADMM C[C@H](C(=O)N[C@H]1CN(c2nccnc2-c2nn[n-]n2)CC1(C)C)C(F)(F)F ZINC001573677822 948141290 /nfs/dbraw/zinc/14/12/90/948141290.db2.gz FLUFTUNBNWTSIR-BDAKNGLRSA-N -1 1 384.366 1.186 20 0 GDADMM CC(=O)N1C[C@H](C)O[C@]2(CCN(c3snc(Cl)c3-c3nnn[n-]3)C2)C1 ZINC001573427420 948165564 /nfs/dbraw/zinc/16/55/64/948165564.db2.gz YGVOTTZEQCXEBD-RTHLEPHNSA-N -1 1 383.865 1.193 20 0 GDADMM CC(=O)N1C[C@H](C)O[C@]2(CCN(c3snc(Cl)c3-c3nn[n-]n3)C2)C1 ZINC001573427420 948165570 /nfs/dbraw/zinc/16/55/70/948165570.db2.gz YGVOTTZEQCXEBD-RTHLEPHNSA-N -1 1 383.865 1.193 20 0 GDADMM C[C@@H](CNC(=O)[C@@H](C)c1ccccc1F)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001573679648 948165738 /nfs/dbraw/zinc/16/57/38/948165738.db2.gz MLECWUHJUDEQTB-RYUDHWBXSA-N -1 1 384.419 1.540 20 0 GDADMM C[C@H](CNC(=O)[C@H](C)c1ccccc1F)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001573679650 948166014 /nfs/dbraw/zinc/16/60/14/948166014.db2.gz MLECWUHJUDEQTB-VXGBXAGGSA-N -1 1 384.419 1.540 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C)n1cccc1 ZINC001573680957 948192067 /nfs/dbraw/zinc/19/20/67/948192067.db2.gz SVBHJYLBNHJXDK-TZMCWYRMSA-N -1 1 381.444 1.050 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C)n1cccc1 ZINC001573680957 948192071 /nfs/dbraw/zinc/19/20/71/948192071.db2.gz SVBHJYLBNHJXDK-TZMCWYRMSA-N -1 1 381.444 1.050 20 0 GDADMM C[C@H](C(=O)NC[C@]1(C)CN(c2ccc(-c3nnn[n-]3)nn2)CCO1)C(C)(C)C ZINC001573691510 948242625 /nfs/dbraw/zinc/24/26/25/948242625.db2.gz JMRQWRYOPJWWHQ-KZULUSFZSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@H](C(=O)NC[C@]1(C)CN(c2ccc(-c3nn[n-]n3)nn2)CCO1)C(C)(C)C ZINC001573691510 948242633 /nfs/dbraw/zinc/24/26/33/948242633.db2.gz JMRQWRYOPJWWHQ-KZULUSFZSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@@H](C(=O)NC[C@@]1(C)CN(c2cncc(-c3nnn[n-]3)n2)CCO1)C(C)(C)C ZINC001573691900 948250755 /nfs/dbraw/zinc/25/07/55/948250755.db2.gz KWWSDCJUVXPNRB-SGTLLEGYSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@@H](C(=O)NC[C@@]1(C)CN(c2cncc(-c3nn[n-]n3)n2)CCO1)C(C)(C)C ZINC001573691900 948250758 /nfs/dbraw/zinc/25/07/58/948250758.db2.gz KWWSDCJUVXPNRB-SGTLLEGYSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccco1 ZINC001573702568 948346344 /nfs/dbraw/zinc/34/63/44/948346344.db2.gz FMGVTJHYIYKCQG-QWHCGFSZSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccco1 ZINC001573702568 948346359 /nfs/dbraw/zinc/34/63/59/948346359.db2.gz FMGVTJHYIYKCQG-QWHCGFSZSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccco1 ZINC001573702566 948347501 /nfs/dbraw/zinc/34/75/01/948347501.db2.gz FMGVTJHYIYKCQG-CHWSQXEVSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccco1 ZINC001573702566 948347511 /nfs/dbraw/zinc/34/75/11/948347511.db2.gz FMGVTJHYIYKCQG-CHWSQXEVSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCCN1c1nccnc1-c1nnn[n-]1)C(F)(F)F ZINC001573702858 948348593 /nfs/dbraw/zinc/34/85/93/948348593.db2.gz GNSQNJDWDCRYIF-VHSXEESVSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCCN1c1nccnc1-c1nn[n-]n1)C(F)(F)F ZINC001573702858 948348603 /nfs/dbraw/zinc/34/86/03/948348603.db2.gz GNSQNJDWDCRYIF-VHSXEESVSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](C(=O)NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccsc1 ZINC001573703841 948358819 /nfs/dbraw/zinc/35/88/19/948358819.db2.gz MSCTXZLQCVHWJK-ZBOXLXRLSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NCC1CC(Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccsc1 ZINC001573703841 948358825 /nfs/dbraw/zinc/35/88/25/948358825.db2.gz MSCTXZLQCVHWJK-ZBOXLXRLSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)C(C)(F)F ZINC001573704446 948373871 /nfs/dbraw/zinc/37/38/71/948373871.db2.gz SJMVZZQQWABVAM-GHMZBOCLSA-N -1 1 380.403 1.281 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)C(C)(F)F ZINC001573704446 948373878 /nfs/dbraw/zinc/37/38/78/948373878.db2.gz SJMVZZQQWABVAM-GHMZBOCLSA-N -1 1 380.403 1.281 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cccs1 ZINC001573704793 948382512 /nfs/dbraw/zinc/38/25/12/948382512.db2.gz DSIOLTLCMYRXLO-NWDGAFQWSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cccs1 ZINC001573704793 948382524 /nfs/dbraw/zinc/38/25/24/948382524.db2.gz DSIOLTLCMYRXLO-NWDGAFQWSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCCO1)C(C)(C)C ZINC001573705326 948399145 /nfs/dbraw/zinc/39/91/45/948399145.db2.gz DVSXHJWLNBDYTL-STQMWFEESA-N -1 1 388.476 1.050 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCCO1)C(C)(C)C ZINC001573705326 948399155 /nfs/dbraw/zinc/39/91/55/948399155.db2.gz DVSXHJWLNBDYTL-STQMWFEESA-N -1 1 388.476 1.050 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)c1cccs1 ZINC001573705756 948407321 /nfs/dbraw/zinc/40/73/21/948407321.db2.gz YHQKWNWNTDEOCV-VXGBXAGGSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)c1cccs1 ZINC001573705756 948407324 /nfs/dbraw/zinc/40/73/24/948407324.db2.gz YHQKWNWNTDEOCV-VXGBXAGGSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCC1(F)F)C1CC1 ZINC001573707174 948430356 /nfs/dbraw/zinc/43/03/56/948430356.db2.gz MUYDFROKSJXYPB-PWSUYJOCSA-N -1 1 392.414 1.281 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCC1(F)F)C1CC1 ZINC001573707174 948430361 /nfs/dbraw/zinc/43/03/61/948430361.db2.gz MUYDFROKSJXYPB-PWSUYJOCSA-N -1 1 392.414 1.281 20 0 GDADMM C[C@@H](C(=O)NCCC1(CNc2ccnc(-c3nn[n-]n3)n2)CC1)c1ccco1 ZINC001573708283 948446148 /nfs/dbraw/zinc/44/61/48/948446148.db2.gz SRQIJVGUMGQRMW-GFCCVEGCSA-N -1 1 382.428 1.174 20 0 GDADMM CC(C(=O)NCC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)=C1CCCC1 ZINC001573714066 948469663 /nfs/dbraw/zinc/46/96/63/948469663.db2.gz CZIZZIDQZVQOPQ-CQSZACIVSA-N -1 1 382.472 1.880 20 0 GDADMM CC(C(=O)NCC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)=C1CCCC1 ZINC001573714066 948469670 /nfs/dbraw/zinc/46/96/70/948469670.db2.gz CZIZZIDQZVQOPQ-CQSZACIVSA-N -1 1 382.472 1.880 20 0 GDADMM C[C@H](C(=O)NCC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573715219 948486481 /nfs/dbraw/zinc/48/64/81/948486481.db2.gz RICJTRQASATILD-NXEZZACHSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1snc(Cl)c1-c1nnn[n-]1)C(C)(F)F ZINC001573716975 948502067 /nfs/dbraw/zinc/50/20/67/948502067.db2.gz AASVLXZVLVEYFF-LURJTMIESA-N -1 1 379.824 1.820 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1snc(Cl)c1-c1nn[n-]n1)C(C)(F)F ZINC001573716975 948502072 /nfs/dbraw/zinc/50/20/72/948502072.db2.gz AASVLXZVLVEYFF-LURJTMIESA-N -1 1 379.824 1.820 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1ccnc(-c2nn[n-]n2)n1)c1ccc(F)cc1F ZINC001573719738 948528431 /nfs/dbraw/zinc/52/84/31/948528431.db2.gz OSKYHYOFKSAVQD-SNVBAGLBSA-N -1 1 388.382 1.291 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C)c1ccsc1 ZINC001573726673 948550478 /nfs/dbraw/zinc/55/04/78/948550478.db2.gz JFYJLIXFYAYCPJ-MBNYWOFBSA-N -1 1 398.496 1.710 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C)c1cccnc1 ZINC001573727947 948556814 /nfs/dbraw/zinc/55/68/14/948556814.db2.gz NNTGRGAGYFFSNT-VNHYZAJKSA-N -1 1 393.455 1.044 20 0 GDADMM C[C@@H](C(=O)NCc1ccc(CCNc2cnc(-c3nnn[n-]3)cn2)cc1)C1CC1 ZINC001573730504 948581344 /nfs/dbraw/zinc/58/13/44/948581344.db2.gz PWCFPGXUOJITFV-CYBMUJFWSA-N -1 1 392.467 1.974 20 0 GDADMM C[C@@H](C(=O)NCc1ccc(CCNc2cnc(-c3nn[n-]n3)cn2)cc1)C1CC1 ZINC001573730504 948581347 /nfs/dbraw/zinc/58/13/47/948581347.db2.gz PWCFPGXUOJITFV-CYBMUJFWSA-N -1 1 392.467 1.974 20 0 GDADMM C[C@@H](C(=O)N[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1)c1cccc(Cl)c1 ZINC001573731896 948598024 /nfs/dbraw/zinc/59/80/24/948598024.db2.gz JUTKSDCHRKXYRB-WDEREUQCSA-N -1 1 386.847 1.452 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccsc1 ZINC001573741515 948654066 /nfs/dbraw/zinc/65/40/66/948654066.db2.gz BTBLLRUWVWEBGL-YPMHNXCESA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccsc1 ZINC001573741515 948654069 /nfs/dbraw/zinc/65/40/69/948654069.db2.gz BTBLLRUWVWEBGL-YPMHNXCESA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@H](C)n1cccn1 ZINC001573742693 948664931 /nfs/dbraw/zinc/66/49/31/948664931.db2.gz QFMKTJKWGFPUHM-SFYZADRCSA-N -1 1 381.853 1.351 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)nc1 ZINC001574415992 948743288 /nfs/dbraw/zinc/74/32/88/948743288.db2.gz NNXZEDTZLRXNEQ-ZDUSSCGKSA-N -1 1 379.428 1.184 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@@H](C)[C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)nc1 ZINC001574416153 948743698 /nfs/dbraw/zinc/74/36/98/948743698.db2.gz PQHLYGYIJLNPBX-RYUDHWBXSA-N -1 1 381.444 1.216 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H](F)Cc1ccccc1 ZINC001574678334 948745269 /nfs/dbraw/zinc/74/52/69/948745269.db2.gz DCNYFLBDOYXYQX-GXTWGEPZSA-N -1 1 384.419 1.544 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H](F)Cc1ccccc1 ZINC001574678334 948745278 /nfs/dbraw/zinc/74/52/78/948745278.db2.gz DCNYFLBDOYXYQX-GXTWGEPZSA-N -1 1 384.419 1.544 20 0 GDADMM CC(C)[C@@H](F)C(=O)N1CC[C@@]2(C1)CCCN(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001574075886 948749259 /nfs/dbraw/zinc/74/92/59/948749259.db2.gz ZSNDWXMLZLXMQW-QAPCUYQASA-N -1 1 388.451 1.470 20 0 GDADMM CC(C)[C@@H](F)C(=O)N1CC[C@@]2(C1)CCCN(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001574075886 948749267 /nfs/dbraw/zinc/74/92/67/948749267.db2.gz ZSNDWXMLZLXMQW-QAPCUYQASA-N -1 1 388.451 1.470 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1csc(Cl)n1 ZINC001574678376 948750417 /nfs/dbraw/zinc/75/04/17/948750417.db2.gz DUTXGABNXMNQSJ-SSDOTTSWSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1csc(Cl)n1 ZINC001574678376 948750428 /nfs/dbraw/zinc/75/04/28/948750428.db2.gz DUTXGABNXMNQSJ-SSDOTTSWSA-N -1 1 379.837 1.387 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCC(CNc3cncc(-c4nnn[n-]4)n3)CC2)CC1 ZINC001575221812 948752548 /nfs/dbraw/zinc/75/25/48/948752548.db2.gz DFOPWIQFRCGXHL-UHFFFAOYSA-N -1 1 392.414 1.743 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCC(CNc3cncc(-c4nn[n-]n4)n3)CC2)CC1 ZINC001575221812 948752559 /nfs/dbraw/zinc/75/25/59/948752559.db2.gz DFOPWIQFRCGXHL-UHFFFAOYSA-N -1 1 392.414 1.743 20 0 GDADMM C[C@@H](CNC(=O)CCc1cccc(Cl)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574914643 948754719 /nfs/dbraw/zinc/75/47/19/948754719.db2.gz LRVXXJFQRNGSGF-NSHDSACASA-N -1 1 386.847 1.860 20 0 GDADMM C[C@@H](CNC(=O)CCc1cccc(Cl)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574914643 948754727 /nfs/dbraw/zinc/75/47/27/948754727.db2.gz LRVXXJFQRNGSGF-NSHDSACASA-N -1 1 386.847 1.860 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cccc(N(C)C)c1 ZINC001574678625 948756234 /nfs/dbraw/zinc/75/62/34/948756234.db2.gz HRLCUBRPQRPQCP-LBPRGKRZSA-N -1 1 381.444 1.343 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cccc(N(C)C)c1 ZINC001574678625 948756244 /nfs/dbraw/zinc/75/62/44/948756244.db2.gz HRLCUBRPQRPQCP-LBPRGKRZSA-N -1 1 381.444 1.343 20 0 GDADMM CC(F)(F)C1(C(=O)NCC2CC(Nc3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001575222282 948757762 /nfs/dbraw/zinc/75/77/62/948757762.db2.gz HSOWTHPCGHIYGS-UHFFFAOYSA-N -1 1 378.387 1.399 20 0 GDADMM CC(F)(F)C1(C(=O)NCC2CC(Nc3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575222282 948757774 /nfs/dbraw/zinc/75/77/74/948757774.db2.gz HSOWTHPCGHIYGS-UHFFFAOYSA-N -1 1 378.387 1.399 20 0 GDADMM CC(F)(F)C1(C(=O)NC2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)CC1 ZINC001575222739 948758163 /nfs/dbraw/zinc/75/81/63/948758163.db2.gz IEYVGRIEOFPWHS-UHFFFAOYSA-N -1 1 378.387 1.177 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1coc(C2CCC2)n1 ZINC001574679140 948767710 /nfs/dbraw/zinc/76/77/10/948767710.db2.gz OPYTXWGEEFMIDI-JTQLQIEISA-N -1 1 383.416 1.533 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1coc(C2CCC2)n1 ZINC001574679140 948767721 /nfs/dbraw/zinc/76/77/21/948767721.db2.gz OPYTXWGEEFMIDI-JTQLQIEISA-N -1 1 383.416 1.533 20 0 GDADMM C[C@H](CNC(=O)CCc1cccc(F)c1F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574915856 948770020 /nfs/dbraw/zinc/77/00/20/948770020.db2.gz YEVDJZGERWPXPK-SNVBAGLBSA-N -1 1 388.382 1.484 20 0 GDADMM C[C@H](CNC(=O)CCc1cccc(F)c1F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574915856 948770035 /nfs/dbraw/zinc/77/00/35/948770035.db2.gz YEVDJZGERWPXPK-SNVBAGLBSA-N -1 1 388.382 1.484 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C12CCC2 ZINC001575225150 948799141 /nfs/dbraw/zinc/79/91/41/948799141.db2.gz XFUWRKKRVPCGQE-NXEZZACHSA-N -1 1 378.387 1.541 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C12CCC2 ZINC001575225150 948799156 /nfs/dbraw/zinc/79/91/56/948799156.db2.gz XFUWRKKRVPCGQE-NXEZZACHSA-N -1 1 378.387 1.541 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@@H](C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001574680461 948803063 /nfs/dbraw/zinc/80/30/63/948803063.db2.gz HEZQZXHUSFZFPC-JTQLQIEISA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@@H](C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001574680461 948803078 /nfs/dbraw/zinc/80/30/78/948803078.db2.gz HEZQZXHUSFZFPC-JTQLQIEISA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)c1ccoc1C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574420823 948807959 /nfs/dbraw/zinc/80/79/59/948807959.db2.gz AXPDYUMOYJEHOV-LBPRGKRZSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1ccoc1C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574420823 948807978 /nfs/dbraw/zinc/80/79/78/948807978.db2.gz AXPDYUMOYJEHOV-LBPRGKRZSA-N -1 1 382.428 1.772 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)CC[C@H]21 ZINC001575225515 948809333 /nfs/dbraw/zinc/80/93/33/948809333.db2.gz DOENZEBRGJYUPK-DGCLKSJQSA-N -1 1 392.414 1.519 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)CC[C@H]21 ZINC001575225515 948809349 /nfs/dbraw/zinc/80/93/49/948809349.db2.gz DOENZEBRGJYUPK-DGCLKSJQSA-N -1 1 392.414 1.519 20 0 GDADMM CC(C)c1ccoc1C(=O)NC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001574421085 948809980 /nfs/dbraw/zinc/80/99/80/948809980.db2.gz GIUSCJLPQMKRGO-GFCCVEGCSA-N -1 1 382.428 1.629 20 0 GDADMM CC(C)c1ccoc1C(=O)NC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001574421085 948809994 /nfs/dbraw/zinc/80/99/94/948809994.db2.gz GIUSCJLPQMKRGO-GFCCVEGCSA-N -1 1 382.428 1.629 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1Cc2ccc(F)cc21 ZINC001574681304 948813675 /nfs/dbraw/zinc/81/36/75/948813675.db2.gz LCYKOFKEKMVSMU-HZMBPMFUSA-N -1 1 382.403 1.442 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1Cc2ccc(F)cc21 ZINC001574681304 948813698 /nfs/dbraw/zinc/81/36/98/948813698.db2.gz LCYKOFKEKMVSMU-HZMBPMFUSA-N -1 1 382.403 1.442 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cccnc1C(F)F ZINC001574681714 948817982 /nfs/dbraw/zinc/81/79/82/948817982.db2.gz NDFLWOQQGTXXEH-SECBINFHSA-N -1 1 389.370 1.610 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cccnc1C(F)F ZINC001574681714 948817998 /nfs/dbraw/zinc/81/79/98/948817998.db2.gz NDFLWOQQGTXXEH-SECBINFHSA-N -1 1 389.370 1.610 20 0 GDADMM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)c1cccs1 ZINC001573757024 948829202 /nfs/dbraw/zinc/82/92/02/948829202.db2.gz XLCKGHHEPNTIRS-KIGUWFBYSA-N -1 1 382.453 1.073 20 0 GDADMM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)c1cccs1 ZINC001573757024 948829225 /nfs/dbraw/zinc/82/92/25/948829225.db2.gz XLCKGHHEPNTIRS-KIGUWFBYSA-N -1 1 382.453 1.073 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccc(C(F)F)nc1 ZINC001574682890 948837503 /nfs/dbraw/zinc/83/75/03/948837503.db2.gz SLVYABOEVOKVKV-SECBINFHSA-N -1 1 389.370 1.610 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccc(C(F)F)nc1 ZINC001574682890 948837525 /nfs/dbraw/zinc/83/75/25/948837525.db2.gz SLVYABOEVOKVKV-SECBINFHSA-N -1 1 389.370 1.610 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cc1ccc2c[nH]nc2c1 ZINC001574682888 948838340 /nfs/dbraw/zinc/83/83/40/948838340.db2.gz SKWCPCYRQRRGJP-LLVKDONJSA-N -1 1 392.427 1.082 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cc1ccc2c[nH]nc2c1 ZINC001574682888 948838353 /nfs/dbraw/zinc/83/83/53/948838353.db2.gz SKWCPCYRQRRGJP-LLVKDONJSA-N -1 1 392.427 1.082 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1coc(C(C)(C)C)n1 ZINC001574683282 948846593 /nfs/dbraw/zinc/84/65/93/948846593.db2.gz XHINONJMBYBDON-SNVBAGLBSA-N -1 1 385.432 1.563 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1coc(C(C)(C)C)n1 ZINC001574683282 948846612 /nfs/dbraw/zinc/84/66/12/948846612.db2.gz XHINONJMBYBDON-SNVBAGLBSA-N -1 1 385.432 1.563 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573762358 948857335 /nfs/dbraw/zinc/85/73/35/948857335.db2.gz UOYAYIPWFUVAOD-CYBMUJFWSA-N -1 1 384.488 1.555 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001573762685 948859726 /nfs/dbraw/zinc/85/97/26/948859726.db2.gz YGROURPZKLVJDP-AWEZNQCLSA-N -1 1 392.467 1.895 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001573762685 948859744 /nfs/dbraw/zinc/85/97/44/948859744.db2.gz YGROURPZKLVJDP-AWEZNQCLSA-N -1 1 392.467 1.895 20 0 GDADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)c1csnn1 ZINC001574684409 948870254 /nfs/dbraw/zinc/87/02/54/948870254.db2.gz FSXDWAAQFJXOQB-RXMQYKEDSA-N -1 1 385.866 1.449 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001575233476 948880876 /nfs/dbraw/zinc/88/08/76/948880876.db2.gz JELZVDJREILDFS-WDEREUQCSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001575233476 948880884 /nfs/dbraw/zinc/88/08/84/948880884.db2.gz JELZVDJREILDFS-WDEREUQCSA-N -1 1 380.403 1.789 20 0 GDADMM CC(C)c1nc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)nn1-c1cccc(F)c1 ZINC001574426886 948891074 /nfs/dbraw/zinc/89/10/74/948891074.db2.gz VPYVFBPAFLLPIF-UHFFFAOYSA-N -1 1 396.390 1.696 20 0 GDADMM CC(C)c1nc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)nn1-c1cccc(F)c1 ZINC001574426886 948891088 /nfs/dbraw/zinc/89/10/88/948891088.db2.gz VPYVFBPAFLLPIF-UHFFFAOYSA-N -1 1 396.390 1.696 20 0 GDADMM CC(C)(C(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccnc(-c2nn[n-]n2)n1)C(F)F ZINC001573764945 948892493 /nfs/dbraw/zinc/89/24/93/948892493.db2.gz SCTNXWMYSJKSRJ-GHMZBOCLSA-N -1 1 392.414 1.518 20 0 GDADMM CC(C)c1nc([C@H]2COCCN2c2cc(-c3nnn[n-]3)nc(C3CC3)n2)no1 ZINC001574426617 948893342 /nfs/dbraw/zinc/89/33/42/948893342.db2.gz TVMQWGFDNISVHY-GFCCVEGCSA-N -1 1 383.416 1.618 20 0 GDADMM CC(C)c1nc([C@H]2COCCN2c2cc(-c3nn[n-]n3)nc(C3CC3)n2)no1 ZINC001574426617 948893354 /nfs/dbraw/zinc/89/33/54/948893354.db2.gz TVMQWGFDNISVHY-GFCCVEGCSA-N -1 1 383.416 1.618 20 0 GDADMM CC(C)c1nc(C(=O)NCC[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)cs1 ZINC001574427091 948900732 /nfs/dbraw/zinc/90/07/32/948900732.db2.gz ZFUBAWIZKAKPFO-JTQLQIEISA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)c1nc(C(=O)NCC[C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)cs1 ZINC001574427091 948900739 /nfs/dbraw/zinc/90/07/39/948900739.db2.gz ZFUBAWIZKAKPFO-JTQLQIEISA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)(C(=O)N1CC[C@H]2[C@H](CCN2c2cnc(-c3nnn[n-]3)cn2)C1)C(F)F ZINC001573765198 948902102 /nfs/dbraw/zinc/90/21/02/948902102.db2.gz WFIGZNBDGWLBID-PWSUYJOCSA-N -1 1 392.414 1.375 20 0 GDADMM CC(C)(C(=O)N1CC[C@H]2[C@H](CCN2c2cnc(-c3nn[n-]n3)cn2)C1)C(F)F ZINC001573765198 948902113 /nfs/dbraw/zinc/90/21/13/948902113.db2.gz WFIGZNBDGWLBID-PWSUYJOCSA-N -1 1 392.414 1.375 20 0 GDADMM CC(F)(F)CCC(=O)NC1(CNc2cnc(-c3nnn[n-]3)cn2)CCCC1 ZINC001575234754 948905456 /nfs/dbraw/zinc/90/54/56/948905456.db2.gz DKGADNUVCVPPIV-UHFFFAOYSA-N -1 1 380.403 1.933 20 0 GDADMM CC(F)(F)CCC(=O)NC1(CNc2cnc(-c3nn[n-]n3)cn2)CCCC1 ZINC001575234754 948905466 /nfs/dbraw/zinc/90/54/66/948905466.db2.gz DKGADNUVCVPPIV-UHFFFAOYSA-N -1 1 380.403 1.933 20 0 GDADMM CC(C)[C@]1(C)C[C@@H]1C(=O)NCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574088022 948905571 /nfs/dbraw/zinc/90/55/71/948905571.db2.gz CVZXBLZFAUQQHQ-KUHUBIRLSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)[C@]1(C)C[C@@H]1C(=O)NCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574088022 948905590 /nfs/dbraw/zinc/90/55/90/948905590.db2.gz CVZXBLZFAUQQHQ-KUHUBIRLSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)C1=CCOCC1 ZINC001574685393 948906329 /nfs/dbraw/zinc/90/63/29/948906329.db2.gz VDCHYAYFQQFQJP-QMMMGPOBSA-N -1 1 383.865 1.630 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)C1=CCOCC1 ZINC001574685393 948906341 /nfs/dbraw/zinc/90/63/41/948906341.db2.gz VDCHYAYFQQFQJP-QMMMGPOBSA-N -1 1 383.865 1.630 20 0 GDADMM CC(F)(F)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001575234851 948908094 /nfs/dbraw/zinc/90/80/94/948908094.db2.gz HMGYHLLZKMESPR-PHIMTYICSA-N -1 1 378.387 1.272 20 0 GDADMM CC(F)(F)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001575234851 948908106 /nfs/dbraw/zinc/90/81/06/948908106.db2.gz HMGYHLLZKMESPR-PHIMTYICSA-N -1 1 378.387 1.272 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575235145 948911843 /nfs/dbraw/zinc/91/18/43/948911843.db2.gz JMBIIFWLCRFGIH-LLVKDONJSA-N -1 1 380.403 1.165 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@@H](C)[C@@H](C)Nc2nccnc2-c2nnn[n-]2)s1 ZINC001574427685 948912166 /nfs/dbraw/zinc/91/21/66/948912166.db2.gz KVBDGQRIYHRCDB-ZJUUUORDSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@@H](C)[C@@H](C)Nc2nccnc2-c2nn[n-]n2)s1 ZINC001574427685 948912178 /nfs/dbraw/zinc/91/21/78/948912178.db2.gz KVBDGQRIYHRCDB-ZJUUUORDSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)[C@]1(C)C[C@@H]1C(=O)N1CCC(N(C)c2nccnc2-c2nnn[n-]2)CC1 ZINC001574088239 948913135 /nfs/dbraw/zinc/91/31/35/948913135.db2.gz FBXRJRCWXXKDHP-KUHUBIRLSA-N -1 1 384.488 1.766 20 0 GDADMM CC(C)[C@]1(C)C[C@@H]1C(=O)N1CCC(N(C)c2nccnc2-c2nn[n-]n2)CC1 ZINC001574088239 948913145 /nfs/dbraw/zinc/91/31/45/948913145.db2.gz FBXRJRCWXXKDHP-KUHUBIRLSA-N -1 1 384.488 1.766 20 0 GDADMM CC(C)[C@@H]1C[C@@H](C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CCO1 ZINC001574088336 948916966 /nfs/dbraw/zinc/91/69/66/948916966.db2.gz AXFIHDFAPMQEKF-XPCVCDNBSA-N -1 1 386.460 1.167 20 0 GDADMM CC(C)[C@@H]1C[C@@H](C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CCO1 ZINC001574088336 948916980 /nfs/dbraw/zinc/91/69/80/948916980.db2.gz AXFIHDFAPMQEKF-XPCVCDNBSA-N -1 1 386.460 1.167 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@@](C)(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001575235786 948925741 /nfs/dbraw/zinc/92/57/41/948925741.db2.gz QKSCLYYKIAITJF-HNNXBMFYSA-N -1 1 380.403 1.743 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@@](C)(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001575235786 948925768 /nfs/dbraw/zinc/92/57/68/948925768.db2.gz QKSCLYYKIAITJF-HNNXBMFYSA-N -1 1 380.403 1.743 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N[C@@H](C)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574432720 948938245 /nfs/dbraw/zinc/93/82/45/948938245.db2.gz BYMGHJBCSZNOOM-QWRGUYRKSA-N -1 1 384.448 1.133 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N[C@@H](C)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574432720 948938254 /nfs/dbraw/zinc/93/82/54/948938254.db2.gz BYMGHJBCSZNOOM-QWRGUYRKSA-N -1 1 384.448 1.133 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575237318 948944174 /nfs/dbraw/zinc/94/41/74/948944174.db2.gz DVVNGKBIOULJPV-MNOVXSKESA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575237318 948944191 /nfs/dbraw/zinc/94/41/91/948944191.db2.gz DVVNGKBIOULJPV-MNOVXSKESA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CCC(=O)NC[C@H]1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575237846 948946828 /nfs/dbraw/zinc/94/68/28/948946828.db2.gz INQFLAZSEIAFIG-WDEREUQCSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CCC(=O)NC[C@H]1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575237846 948946837 /nfs/dbraw/zinc/94/68/37/948946837.db2.gz INQFLAZSEIAFIG-WDEREUQCSA-N -1 1 380.403 1.789 20 0 GDADMM C[C@H](CNC(=O)CCn1cccn1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574923545 948951374 /nfs/dbraw/zinc/95/13/74/948951374.db2.gz PJRKORVJZNSKAT-MRVPVSSYSA-N -1 1 381.853 1.180 20 0 GDADMM C[C@H](CNC(=O)CCn1cccn1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574923545 948951383 /nfs/dbraw/zinc/95/13/83/948951383.db2.gz PJRKORVJZNSKAT-MRVPVSSYSA-N -1 1 381.853 1.180 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001575238448 948955290 /nfs/dbraw/zinc/95/52/90/948955290.db2.gz NMFBAHYLNRKSGT-GHMZBOCLSA-N -1 1 380.403 1.931 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001575238448 948955300 /nfs/dbraw/zinc/95/53/00/948955300.db2.gz NMFBAHYLNRKSGT-GHMZBOCLSA-N -1 1 380.403 1.931 20 0 GDADMM CC(F)(F)CCC(=O)NC[C@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575239866 948966828 /nfs/dbraw/zinc/96/68/28/948966828.db2.gz WWDAVUVIBXAWMF-LLVKDONJSA-N -1 1 380.403 1.567 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575239884 948968671 /nfs/dbraw/zinc/96/86/71/948968671.db2.gz XJAPFYZJMWCPDL-WDEREUQCSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575239884 948968679 /nfs/dbraw/zinc/96/86/79/948968679.db2.gz XJAPFYZJMWCPDL-WDEREUQCSA-N -1 1 380.403 1.789 20 0 GDADMM CC(C)c1nnc(N2CC[C@]3(CCOC3)C2)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001574434998 948988401 /nfs/dbraw/zinc/98/84/01/948988401.db2.gz OKASKUUZWPUPIO-SFHVURJKSA-N -1 1 384.444 1.840 20 0 GDADMM CC(C)c1nnc(N2CC[C@]3(CCOC3)C2)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001574434998 948988407 /nfs/dbraw/zinc/98/84/07/948988407.db2.gz OKASKUUZWPUPIO-SFHVURJKSA-N -1 1 384.444 1.840 20 0 GDADMM CC(C)(C(=O)NC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1)c1ccccc1 ZINC001573775005 949026216 /nfs/dbraw/zinc/02/62/16/949026216.db2.gz RNRLZXWQQAIEIQ-OAHLLOKOSA-N -1 1 392.467 1.941 20 0 GDADMM CC(C)(C(=O)NC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1)c1ccccc1 ZINC001573775005 949026236 /nfs/dbraw/zinc/02/62/36/949026236.db2.gz RNRLZXWQQAIEIQ-OAHLLOKOSA-N -1 1 392.467 1.941 20 0 GDADMM C[C@@H](Sc1ccccc1C(=O)NCc1ccc(-c2nn[n-]n2)s1)C(N)=O ZINC001575502851 949030669 /nfs/dbraw/zinc/03/06/69/949030669.db2.gz LDYYZIRBIHLZNI-SECBINFHSA-N -1 1 388.478 1.824 20 0 GDADMM CC(C)(C(=O)NCC1CCN(c2nccnc2-c2nnn[n-]2)CC1)C(F)F ZINC001573778981 949049339 /nfs/dbraw/zinc/04/93/39/949049339.db2.gz BLOIWICTWKSNTI-UHFFFAOYSA-N -1 1 380.403 1.281 20 0 GDADMM CC(C)(C(=O)NCC1CCN(c2nccnc2-c2nn[n-]n2)CC1)C(F)F ZINC001573778981 949049357 /nfs/dbraw/zinc/04/93/57/949049357.db2.gz BLOIWICTWKSNTI-UHFFFAOYSA-N -1 1 380.403 1.281 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)NCCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574092168 949051824 /nfs/dbraw/zinc/05/18/24/949051824.db2.gz QKKGOWCMZBAUTF-HUUCEWRRSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)NCCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574092168 949051848 /nfs/dbraw/zinc/05/18/48/949051848.db2.gz QKKGOWCMZBAUTF-HUUCEWRRSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)C1CCCC1 ZINC001573779260 949059742 /nfs/dbraw/zinc/05/97/42/949059742.db2.gz FMXOBGDZKARXLF-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)C1CCCC1 ZINC001573779260 949059760 /nfs/dbraw/zinc/05/97/60/949059760.db2.gz FMXOBGDZKARXLF-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)c1n[nH]cc1F ZINC001574693775 949061412 /nfs/dbraw/zinc/06/14/12/949061412.db2.gz JAWMLNYMWNBBDH-RXMQYKEDSA-N -1 1 385.816 1.459 20 0 GDADMM CC(C)c1occc1C(=O)N1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574441495 949064321 /nfs/dbraw/zinc/06/43/21/949064321.db2.gz MOYKCYIJAHYBSW-GFCCVEGCSA-N -1 1 382.428 1.947 20 0 GDADMM CC(C)c1occc1C(=O)N1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574441495 949064342 /nfs/dbraw/zinc/06/43/42/949064342.db2.gz MOYKCYIJAHYBSW-GFCCVEGCSA-N -1 1 382.428 1.947 20 0 GDADMM C[C@H](NC(=O)C(=O)C(C)(C)C)[C@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001575248305 949068972 /nfs/dbraw/zinc/06/89/72/949068972.db2.gz QPJCMBDWOOLJRY-BQBZGAKWSA-N -1 1 385.881 1.897 20 0 GDADMM C[C@H](NC(=O)C(=O)C(C)(C)C)[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575248305 949068994 /nfs/dbraw/zinc/06/89/94/949068994.db2.gz QPJCMBDWOOLJRY-BQBZGAKWSA-N -1 1 385.881 1.897 20 0 GDADMM C[C@H](CN(C)C(=O)C(C)(C)c1ccccc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574694362 949075776 /nfs/dbraw/zinc/07/57/76/949075776.db2.gz OBGCVAMOFUMBLW-CYBMUJFWSA-N -1 1 380.456 1.893 20 0 GDADMM C[C@H](CN(C)C(=O)C(C)(C)c1ccccc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574694362 949075798 /nfs/dbraw/zinc/07/57/98/949075798.db2.gz OBGCVAMOFUMBLW-CYBMUJFWSA-N -1 1 380.456 1.893 20 0 GDADMM C[C@@H](CNC(=O)COC(C)(C)C)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574929126 949076494 /nfs/dbraw/zinc/07/64/94/949076494.db2.gz YSUBBSXFTVVPKT-QMMMGPOBSA-N -1 1 387.897 1.733 20 0 GDADMM C[C@@H](CNC(=O)COC(C)(C)C)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574929126 949076504 /nfs/dbraw/zinc/07/65/04/949076504.db2.gz YSUBBSXFTVVPKT-QMMMGPOBSA-N -1 1 387.897 1.733 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccccc1 ZINC001573780366 949091616 /nfs/dbraw/zinc/09/16/16/949091616.db2.gz XGDQPDYDANBOSS-CQSZACIVSA-N -1 1 392.467 1.577 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccccc1 ZINC001573780366 949091632 /nfs/dbraw/zinc/09/16/32/949091632.db2.gz XGDQPDYDANBOSS-CQSZACIVSA-N -1 1 392.467 1.577 20 0 GDADMM CC(C)[C@]1(C)C[C@H]1C(=O)N1CCC(N(C)c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574093339 949102201 /nfs/dbraw/zinc/10/22/01/949102201.db2.gz WTYAFUFIWPMNJR-LIRRHRJNSA-N -1 1 384.488 1.766 20 0 GDADMM CC(C)[C@]1(C)C[C@H]1C(=O)N1CCC(N(C)c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574093339 949102206 /nfs/dbraw/zinc/10/22/06/949102206.db2.gz WTYAFUFIWPMNJR-LIRRHRJNSA-N -1 1 384.488 1.766 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1ncoc1C(C)(C)C ZINC001574695153 949104590 /nfs/dbraw/zinc/10/45/90/949104590.db2.gz CXQOFRTZTRXDBI-SNVBAGLBSA-N -1 1 385.432 1.563 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1ncoc1C(C)(C)C ZINC001574695153 949104603 /nfs/dbraw/zinc/10/46/03/949104603.db2.gz CXQOFRTZTRXDBI-SNVBAGLBSA-N -1 1 385.432 1.563 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)Cc1ccc(Cl)cc1 ZINC001574696015 949119120 /nfs/dbraw/zinc/11/91/20/949119120.db2.gz LUBAJCMCTCBDMV-NSHDSACASA-N -1 1 386.847 1.860 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)Cc1ccc(Cl)cc1 ZINC001574696015 949119136 /nfs/dbraw/zinc/11/91/36/949119136.db2.gz LUBAJCMCTCBDMV-NSHDSACASA-N -1 1 386.847 1.860 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1csc(Cl)c1 ZINC001574696027 949119473 /nfs/dbraw/zinc/11/94/73/949119473.db2.gz LZYSCBIMOKIFJY-QMMMGPOBSA-N -1 1 378.849 1.992 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1csc(Cl)c1 ZINC001574696027 949119479 /nfs/dbraw/zinc/11/94/79/949119479.db2.gz LZYSCBIMOKIFJY-QMMMGPOBSA-N -1 1 378.849 1.992 20 0 GDADMM CC(C)c1occc1C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1 ZINC001574446276 949124468 /nfs/dbraw/zinc/12/44/68/949124468.db2.gz MRWYERXZBKNKGX-RYUDHWBXSA-N -1 1 380.412 1.476 20 0 GDADMM CC(C)c1occc1C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1 ZINC001574446276 949124484 /nfs/dbraw/zinc/12/44/84/949124484.db2.gz MRWYERXZBKNKGX-RYUDHWBXSA-N -1 1 380.412 1.476 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574446242 949124904 /nfs/dbraw/zinc/12/49/04/949124904.db2.gz KWZGYIQRRIDURX-UHFFFAOYSA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574446242 949124916 /nfs/dbraw/zinc/12/49/16/949124916.db2.gz KWZGYIQRRIDURX-UHFFFAOYSA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1ocnc1C(=O)N1C[C@@H](C)[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574446620 949136185 /nfs/dbraw/zinc/13/61/85/949136185.db2.gz SYUPZWYWFIWXQC-PWSUYJOCSA-N -1 1 383.416 1.341 20 0 GDADMM CC(C)c1ocnc1C(=O)N1C[C@@H](C)[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574446620 949136194 /nfs/dbraw/zinc/13/61/94/949136194.db2.gz SYUPZWYWFIWXQC-PWSUYJOCSA-N -1 1 383.416 1.341 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)C[C@@H]1CCCO1 ZINC001574696682 949138224 /nfs/dbraw/zinc/13/82/24/949138224.db2.gz UFKHYHXQBXVVOO-IUCAKERBSA-N -1 1 385.881 1.852 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)C[C@@H]1CCCO1 ZINC001574696682 949138237 /nfs/dbraw/zinc/13/82/37/949138237.db2.gz UFKHYHXQBXVVOO-IUCAKERBSA-N -1 1 385.881 1.852 20 0 GDADMM CC(C)[C@@H]1C[C@@H](CC(=O)N(C)CCNc2nccnc2-c2nnn[n-]2)CCO1 ZINC001574094911 949144480 /nfs/dbraw/zinc/14/44/80/949144480.db2.gz WWBKWQVGRCCVNC-KBPBESRZSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)[C@@H]1C[C@@H](CC(=O)N(C)CCNc2nccnc2-c2nn[n-]n2)CCO1 ZINC001574094911 949144493 /nfs/dbraw/zinc/14/44/93/949144493.db2.gz WWBKWQVGRCCVNC-KBPBESRZSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@@H](NC(=O)C1(Cc2ccccc2)CC1)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575251595 949145146 /nfs/dbraw/zinc/14/51/46/949145146.db2.gz BPVJADAINOOXOO-UONOGXRCSA-N -1 1 392.467 1.407 20 0 GDADMM CC(C)[C@H]1C[C@H](C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CCO1 ZINC001574095419 949147699 /nfs/dbraw/zinc/14/76/99/949147699.db2.gz XZNSBZABLZAVFD-DGCLKSJQSA-N -1 1 376.465 1.014 20 0 GDADMM CC(C)[C@H]1C[C@H](C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CCO1 ZINC001574095419 949147716 /nfs/dbraw/zinc/14/77/16/949147716.db2.gz XZNSBZABLZAVFD-DGCLKSJQSA-N -1 1 376.465 1.014 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1)c1ccccc1 ZINC001573786987 949158421 /nfs/dbraw/zinc/15/84/21/949158421.db2.gz IFYMVXPTXDPAHM-CTYIDZIISA-N -1 1 392.467 1.941 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1)c1ccccc1 ZINC001573786987 949158432 /nfs/dbraw/zinc/15/84/32/949158432.db2.gz IFYMVXPTXDPAHM-CTYIDZIISA-N -1 1 392.467 1.941 20 0 GDADMM CC(C)c1ocnc1C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCC1 ZINC001574447488 949162566 /nfs/dbraw/zinc/16/25/66/949162566.db2.gz PVAJPJJLJBNIHM-UHFFFAOYSA-N -1 1 383.416 1.533 20 0 GDADMM CC(C)c1ocnc1C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCC1 ZINC001574447488 949162576 /nfs/dbraw/zinc/16/25/76/949162576.db2.gz PVAJPJJLJBNIHM-UHFFFAOYSA-N -1 1 383.416 1.533 20 0 GDADMM CC(C)c1ocnc1C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H]1C ZINC001574447664 949169528 /nfs/dbraw/zinc/16/95/28/949169528.db2.gz WKSXVNYYXAGUPA-MNOVXSKESA-N -1 1 383.416 1.165 20 0 GDADMM CC(C)c1ocnc1C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H]1C ZINC001574447664 949169543 /nfs/dbraw/zinc/16/95/43/949169543.db2.gz WKSXVNYYXAGUPA-MNOVXSKESA-N -1 1 383.416 1.165 20 0 GDADMM CC(C)c1oncc1C(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001574448370 949187350 /nfs/dbraw/zinc/18/73/50/949187350.db2.gz JOJJEOVRLFXKJX-LBPRGKRZSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1oncc1C(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001574448370 949187364 /nfs/dbraw/zinc/18/73/64/949187364.db2.gz JOJJEOVRLFXKJX-LBPRGKRZSA-N -1 1 383.416 1.389 20 0 GDADMM C[C@@H](NC(=O)C1(c2ccccn2)CC1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575254084 949194532 /nfs/dbraw/zinc/19/45/32/949194532.db2.gz LLGMVFSTYZITAT-NWDGAFQWSA-N -1 1 379.428 1.089 20 0 GDADMM C[C@@H](NC(=O)C1(c2ccccn2)CC1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575254084 949194545 /nfs/dbraw/zinc/19/45/45/949194545.db2.gz LLGMVFSTYZITAT-NWDGAFQWSA-N -1 1 379.428 1.089 20 0 GDADMM CC(C)c1oncc1C(=O)N1C[C@H](C)[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574449406 949194857 /nfs/dbraw/zinc/19/48/57/949194857.db2.gz RDIXKAAUEARJKP-CMPLNLGQSA-N -1 1 383.416 1.341 20 0 GDADMM CC(C)c1oncc1C(=O)N1C[C@H](C)[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574449406 949194872 /nfs/dbraw/zinc/19/48/72/949194872.db2.gz RDIXKAAUEARJKP-CMPLNLGQSA-N -1 1 383.416 1.341 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(F)c(Cl)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574936084 949207919 /nfs/dbraw/zinc/20/79/19/949207919.db2.gz HCCJIAVZHZVVRU-SECBINFHSA-N -1 1 390.810 1.609 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(F)c(Cl)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574936084 949207936 /nfs/dbraw/zinc/20/79/36/949207936.db2.gz HCCJIAVZHZVVRU-SECBINFHSA-N -1 1 390.810 1.609 20 0 GDADMM CC(C)c1scnc1C(=O)NCC[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574451088 949209480 /nfs/dbraw/zinc/20/94/80/949209480.db2.gz BHAGQOIUAXFJAP-JTQLQIEISA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)c1scnc1C(=O)NCC[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574451088 949209502 /nfs/dbraw/zinc/20/95/02/949209502.db2.gz BHAGQOIUAXFJAP-JTQLQIEISA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)c1oncc1C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574450274 949212660 /nfs/dbraw/zinc/21/26/60/949212660.db2.gz YQHADGJAFCODMM-LLVKDONJSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1oncc1C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574450274 949212682 /nfs/dbraw/zinc/21/26/82/949212682.db2.gz YQHADGJAFCODMM-LLVKDONJSA-N -1 1 383.416 1.167 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(Cl)s1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574936653 949216213 /nfs/dbraw/zinc/21/62/13/949216213.db2.gz JUTWLYLOJYPSRB-MRVPVSSYSA-N -1 1 378.849 1.531 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(Cl)s1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574936653 949216229 /nfs/dbraw/zinc/21/62/29/949216229.db2.gz JUTWLYLOJYPSRB-MRVPVSSYSA-N -1 1 378.849 1.531 20 0 GDADMM CC1(Nc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)COC2CCCC2)CC1 ZINC001575853638 949217371 /nfs/dbraw/zinc/21/73/71/949217371.db2.gz WJXRCDPQWRYGCD-UHFFFAOYSA-N -1 1 386.460 1.409 20 0 GDADMM CC1(Nc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)COC2CCCC2)CC1 ZINC001575853638 949217392 /nfs/dbraw/zinc/21/73/92/949217392.db2.gz WJXRCDPQWRYGCD-UHFFFAOYSA-N -1 1 386.460 1.409 20 0 GDADMM CC(C)c1scnc1C(=O)NCC[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574451251 949221974 /nfs/dbraw/zinc/22/19/74/949221974.db2.gz ILMRTPCVXFWDQV-JTQLQIEISA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)c1scnc1C(=O)NCC[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574451251 949221992 /nfs/dbraw/zinc/22/19/92/949221992.db2.gz ILMRTPCVXFWDQV-JTQLQIEISA-N -1 1 387.473 1.857 20 0 GDADMM CC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)C(F)=C2CCCC2)CC1 ZINC001575853933 949223254 /nfs/dbraw/zinc/22/32/54/949223254.db2.gz PCXHOGKBJCRWLZ-UHFFFAOYSA-N -1 1 386.435 1.669 20 0 GDADMM C[C@H](NC(=O)C1(CCF)CC1)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575255426 949232681 /nfs/dbraw/zinc/23/26/81/949232681.db2.gz QBVMSIWFKTVFQA-QWHCGFSZSA-N -1 1 388.451 1.518 20 0 GDADMM C[C@@H](c1ccccc1F)N1CCC[C@H](Nc2cc(-c3nnn[n-]3)ncn2)C1=O ZINC001575517608 949235348 /nfs/dbraw/zinc/23/53/48/949235348.db2.gz XICJBILFFZEAAN-FZMZJTMJSA-N -1 1 382.403 1.960 20 0 GDADMM C[C@@H](c1ccccc1F)N1CCC[C@H](Nc2cc(-c3nn[n-]n3)ncn2)C1=O ZINC001575517608 949235377 /nfs/dbraw/zinc/23/53/77/949235377.db2.gz XICJBILFFZEAAN-FZMZJTMJSA-N -1 1 382.403 1.960 20 0 GDADMM C[C@@H](NC(=O)C1(c2ccccc2)CC1)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575255921 949241491 /nfs/dbraw/zinc/24/14/91/949241491.db2.gz SMMUWLDMHIGXDT-CHWSQXEVSA-N -1 1 378.440 1.694 20 0 GDADMM C[C@@H](NC(=O)C1(c2ccccc2)CC1)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575255921 949241504 /nfs/dbraw/zinc/24/15/04/949241504.db2.gz SMMUWLDMHIGXDT-CHWSQXEVSA-N -1 1 378.440 1.694 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccccc1Cl)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574940160 949253573 /nfs/dbraw/zinc/25/35/73/949253573.db2.gz ABVPSRULQMPKHR-LLVKDONJSA-N -1 1 386.847 1.139 20 0 GDADMM C[C@@H]1CCC[C@]1(C)C(=O)N1CCC(C)(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576152547 949254853 /nfs/dbraw/zinc/25/48/53/949254853.db2.gz JJWWKIZDUIWCSO-YJYMSZOUSA-N -1 1 384.488 1.698 20 0 GDADMM C[C@@H](CN(C)C(=O)C1(C(F)(F)F)CCC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574701767 949266681 /nfs/dbraw/zinc/26/66/81/949266681.db2.gz CTTAVGNHTUMZGW-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](CN(C)C(=O)C1(C(F)(F)F)CCC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574701767 949266701 /nfs/dbraw/zinc/26/67/01/949266701.db2.gz CTTAVGNHTUMZGW-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H]1CCC[C@@H](OCC(=O)N[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001576153335 949279378 /nfs/dbraw/zinc/27/93/78/949279378.db2.gz LYGWFVXQFDKVPR-AAVRWANBSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H]1CCC[C@@H](OCC(=O)N[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001576153335 949279401 /nfs/dbraw/zinc/27/94/01/949279401.db2.gz LYGWFVXQFDKVPR-AAVRWANBSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@H](NC(=O)C1CCC(F)(F)CC1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575257592 949279922 /nfs/dbraw/zinc/27/99/22/949279922.db2.gz AXPSDTFJWVHNAW-UWVGGRQHSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@H](NC(=O)C1CCC(F)(F)CC1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575257592 949279940 /nfs/dbraw/zinc/27/99/40/949279940.db2.gz AXPSDTFJWVHNAW-UWVGGRQHSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)[C@H](C)NC(=O)C1=COCCO1 ZINC001575258050 949286646 /nfs/dbraw/zinc/28/66/46/949286646.db2.gz DJPYRMROCXAHTN-NKWVEPMBSA-N -1 1 385.837 1.170 20 0 GDADMM C[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)[C@H](C)NC(=O)C1=COCCO1 ZINC001575258050 949286662 /nfs/dbraw/zinc/28/66/62/949286662.db2.gz DJPYRMROCXAHTN-NKWVEPMBSA-N -1 1 385.837 1.170 20 0 GDADMM CC(C)n1cc(C(=O)NC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C2CC2)cn1 ZINC001574453211 949286741 /nfs/dbraw/zinc/28/67/41/949286741.db2.gz ZORYXVLGBGPASR-ZDUSSCGKSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cc(C(=O)NC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C2CC2)cn1 ZINC001574453211 949286761 /nfs/dbraw/zinc/28/67/61/949286761.db2.gz ZORYXVLGBGPASR-ZDUSSCGKSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@@H]1CCC[C@H](OCC(=O)N[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001576153342 949287116 /nfs/dbraw/zinc/28/71/16/949287116.db2.gz LYGWFVXQFDKVPR-SYQHCUMBSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H]1CCC[C@H](OCC(=O)N[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001576153342 949287137 /nfs/dbraw/zinc/28/71/37/949287137.db2.gz LYGWFVXQFDKVPR-SYQHCUMBSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@H]1CCC[C@H]1CC(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001576153811 949299531 /nfs/dbraw/zinc/29/95/31/949299531.db2.gz BIQWYBVFEFHHCV-ZQDZILKHSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H]1CCC[C@H]1CC(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001576153811 949299550 /nfs/dbraw/zinc/29/95/50/949299550.db2.gz BIQWYBVFEFHHCV-ZQDZILKHSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H](CN(C)C(=O)C1(c2ccccn2)CC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574703508 949330920 /nfs/dbraw/zinc/33/09/20/949330920.db2.gz VYFWNMGKFBHLDQ-GFCCVEGCSA-N -1 1 379.428 1.042 20 0 GDADMM C[C@H](CN(C)C(=O)C1(c2ccccn2)CC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574703508 949330941 /nfs/dbraw/zinc/33/09/41/949330941.db2.gz VYFWNMGKFBHLDQ-GFCCVEGCSA-N -1 1 379.428 1.042 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccnc1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001574942340 949348229 /nfs/dbraw/zinc/34/82/29/949348229.db2.gz YPEPBPXRSOWGGI-VIFPVBQESA-N -1 1 392.876 1.779 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccnc1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001574942340 949348253 /nfs/dbraw/zinc/34/82/53/949348253.db2.gz YPEPBPXRSOWGGI-VIFPVBQESA-N -1 1 392.876 1.779 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1CCCCC1(F)F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574704214 949377799 /nfs/dbraw/zinc/37/77/99/949377799.db2.gz AZFKJJVMZDJSOX-WDEREUQCSA-N -1 1 380.403 1.163 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCCC1(F)F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574704213 949377961 /nfs/dbraw/zinc/37/79/61/949377961.db2.gz AZFKJJVMZDJSOX-QWRGUYRKSA-N -1 1 380.403 1.163 20 0 GDADMM CC(C)n1cccc1C(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574463807 949384588 /nfs/dbraw/zinc/38/45/88/949384588.db2.gz BILMROXPGJYECT-UHFFFAOYSA-N -1 1 381.444 1.660 20 0 GDADMM CC(C)n1cccc1C(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574463807 949384610 /nfs/dbraw/zinc/38/46/10/949384610.db2.gz BILMROXPGJYECT-UHFFFAOYSA-N -1 1 381.444 1.660 20 0 GDADMM CC1(C)CN(C(=O)C2(C)CCCCC2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575528187 949388238 /nfs/dbraw/zinc/38/82/38/949388238.db2.gz OAENAFFRFAJUBE-ZDUSSCGKSA-N -1 1 384.488 1.698 20 0 GDADMM C[C@@H]1CCC[C@H](OCC(=O)N[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001576155319 949395197 /nfs/dbraw/zinc/39/51/97/949395197.db2.gz UNGUMQWXPUFCGU-SYQHCUMBSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H]1CCC[C@H](OCC(=O)N[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001576155319 949395217 /nfs/dbraw/zinc/39/52/17/949395217.db2.gz UNGUMQWXPUFCGU-SYQHCUMBSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H]1CCCC[C@H]1C(=O)N(C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576155286 949397329 /nfs/dbraw/zinc/39/73/29/949397329.db2.gz HTNZRTRUCLITRQ-UKRRQHHQSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCCC[C@H]1C(=O)N(C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576155286 949397350 /nfs/dbraw/zinc/39/73/50/949397350.db2.gz HTNZRTRUCLITRQ-UKRRQHHQSA-N -1 1 384.488 1.910 20 0 GDADMM CC1(C)CN(C(=O)C2(C)CCOCC2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575528448 949399727 /nfs/dbraw/zinc/39/97/27/949399727.db2.gz WKKBBIDKDMDUCF-CYBMUJFWSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CN(C(=O)C2(C)CCOCC2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575528448 949399744 /nfs/dbraw/zinc/39/97/44/949399744.db2.gz WKKBBIDKDMDUCF-CYBMUJFWSA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)(C)C(=O)N[C@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C[C@H]1O ZINC001573800620 949400992 /nfs/dbraw/zinc/40/09/92/949400992.db2.gz ZYDLRSPEITVPLU-JGVFFNPUSA-N -1 1 385.881 1.079 20 0 GDADMM CC(C)(C)C(=O)N[C@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C[C@H]1O ZINC001573800620 949400996 /nfs/dbraw/zinc/40/09/96/949400996.db2.gz ZYDLRSPEITVPLU-JGVFFNPUSA-N -1 1 385.881 1.079 20 0 GDADMM CC(C)CC(=O)N[C@@H]1[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)[C@@H]2C1(C)C ZINC001574114176 949406617 /nfs/dbraw/zinc/40/66/17/949406617.db2.gz SCEQOGILXFXFGK-VUCTXSBTSA-N -1 1 384.488 1.812 20 0 GDADMM CC(C)CC(=O)N[C@@H]1[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)[C@@H]2C1(C)C ZINC001574114176 949406633 /nfs/dbraw/zinc/40/66/33/949406633.db2.gz SCEQOGILXFXFGK-VUCTXSBTSA-N -1 1 384.488 1.812 20 0 GDADMM C[C@H]1CCC[C@H]1CC(=O)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576155595 949413727 /nfs/dbraw/zinc/41/37/27/949413727.db2.gz JJCVOSYCFSQUKE-ZFWWWQNUSA-N -1 1 384.488 1.555 20 0 GDADMM CC(C)n1cccc1C(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574465660 949443610 /nfs/dbraw/zinc/44/36/10/949443610.db2.gz UUNVKFIVNHANJN-ZDUSSCGKSA-N -1 1 381.444 1.613 20 0 GDADMM CC(C)n1cccc1C(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574465660 949443626 /nfs/dbraw/zinc/44/36/26/949443626.db2.gz UUNVKFIVNHANJN-ZDUSSCGKSA-N -1 1 381.444 1.613 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccn[nH]1 ZINC001576156614 949455515 /nfs/dbraw/zinc/45/55/15/949455515.db2.gz NRZXZXBCXYZJJZ-PIGZYNQJSA-N -1 1 382.432 1.171 20 0 GDADMM CC(C)n1nccc1C(=O)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574468524 949461958 /nfs/dbraw/zinc/46/19/58/949461958.db2.gz NPVIJASLXCYDCP-LBPRGKRZSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1nccc1C(=O)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574468524 949461968 /nfs/dbraw/zinc/46/19/68/949461968.db2.gz NPVIJASLXCYDCP-LBPRGKRZSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@@H](NC(=O)CC1CCCC1)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575266393 949475195 /nfs/dbraw/zinc/47/51/95/949475195.db2.gz CTABBMDPWVNDLL-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](NC(=O)CC1CCCC1)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575266393 949475211 /nfs/dbraw/zinc/47/52/11/949475211.db2.gz CTABBMDPWVNDLL-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)C1Cc2ccccc2C1 ZINC001575266539 949481845 /nfs/dbraw/zinc/48/18/45/949481845.db2.gz ZCFATYOKMIFLNN-NEPJUHHUSA-N -1 1 378.440 1.377 20 0 GDADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)C1Cc2ccccc2C1 ZINC001575266539 949481858 /nfs/dbraw/zinc/48/18/58/949481858.db2.gz ZCFATYOKMIFLNN-NEPJUHHUSA-N -1 1 378.440 1.377 20 0 GDADMM CC(C)n1nccc1C(=O)NC[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001574470152 949490875 /nfs/dbraw/zinc/49/08/75/949490875.db2.gz NLSKJXDVWKZVKF-LBPRGKRZSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1nccc1C(=O)NC[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001574470152 949490890 /nfs/dbraw/zinc/49/08/90/949490890.db2.gz NLSKJXDVWKZVKF-LBPRGKRZSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1COc2ccccc21)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574711094 949521095 /nfs/dbraw/zinc/52/10/95/949521095.db2.gz DCBUYROFLFXOJN-DGCLKSJQSA-N -1 1 380.412 1.092 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1COc2ccccc21)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574711094 949521107 /nfs/dbraw/zinc/52/11/07/949521107.db2.gz DCBUYROFLFXOJN-DGCLKSJQSA-N -1 1 380.412 1.092 20 0 GDADMM C[C@H]1CCCC[C@H]1OCC(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001576163408 949532052 /nfs/dbraw/zinc/53/20/52/949532052.db2.gz AXCAFSINMZBUOT-SWLSCSKDSA-N -1 1 390.513 1.824 20 0 GDADMM C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001574950703 949542419 /nfs/dbraw/zinc/54/24/19/949542419.db2.gz SFEFGNOPOTVISL-SNVBAGLBSA-N -1 1 376.421 1.639 20 0 GDADMM C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001574950703 949542430 /nfs/dbraw/zinc/54/24/30/949542430.db2.gz SFEFGNOPOTVISL-SNVBAGLBSA-N -1 1 376.421 1.639 20 0 GDADMM C[C@@]1(C(=O)N2CCC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CCCOC1 ZINC001575539546 949545576 /nfs/dbraw/zinc/54/55/76/949545576.db2.gz QMAFLOVRXNKRPC-SCLBCKFNSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@@]1(C(=O)N2CCC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CCCOC1 ZINC001575539546 949545586 /nfs/dbraw/zinc/54/55/86/949545586.db2.gz QMAFLOVRXNKRPC-SCLBCKFNSA-N -1 1 386.460 1.124 20 0 GDADMM CC(C)CC(=O)NCc1ccc2c(c1)CN(c1nccnc1-c1nnn[n-]1)C2 ZINC001574123352 949555651 /nfs/dbraw/zinc/55/56/51/949555651.db2.gz UWLLPIZOJHJOMG-UHFFFAOYSA-N -1 1 378.440 1.839 20 0 GDADMM CC(C)CC(=O)NCc1ccc2c(c1)CN(c1nccnc1-c1nn[n-]n1)C2 ZINC001574123352 949555669 /nfs/dbraw/zinc/55/56/69/949555669.db2.gz UWLLPIZOJHJOMG-UHFFFAOYSA-N -1 1 378.440 1.839 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2CC(F)(F)C2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575872713 949558181 /nfs/dbraw/zinc/55/81/81/949558181.db2.gz LBKBASQDTQGMLR-MWLCHTKSSA-N -1 1 378.387 1.176 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2CC(F)(F)C2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575872713 949558195 /nfs/dbraw/zinc/55/81/95/949558195.db2.gz LBKBASQDTQGMLR-MWLCHTKSSA-N -1 1 378.387 1.176 20 0 GDADMM C[C@]1(C(=O)N2CCC[C@H](CCNc3ccc(-c4nnn[n-]4)nn3)C2)CCOC1 ZINC001575539770 949559541 /nfs/dbraw/zinc/55/95/41/949559541.db2.gz STCWJTCSBVXYGO-ACJLOTCBSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@]1(C(=O)N2CCC[C@H](CCNc3ccc(-c4nn[n-]n4)nn3)C2)CCOC1 ZINC001575539770 949559554 /nfs/dbraw/zinc/55/95/54/949559554.db2.gz STCWJTCSBVXYGO-ACJLOTCBSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@H](CC(=O)N(C)[C@H](C)CNc1nccnc1-c1nnn[n-]1)c1ccncc1 ZINC001574473234 949562553 /nfs/dbraw/zinc/56/25/53/949562553.db2.gz YXUHUFSGFHQVKR-CHWSQXEVSA-N -1 1 381.444 1.504 20 0 GDADMM C[C@H](CC(=O)N(C)[C@H](C)CNc1nccnc1-c1nn[n-]n1)c1ccncc1 ZINC001574473234 949562565 /nfs/dbraw/zinc/56/25/65/949562565.db2.gz YXUHUFSGFHQVKR-CHWSQXEVSA-N -1 1 381.444 1.504 20 0 GDADMM CC(C)CC(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1c1ccccc1 ZINC001574124758 949580323 /nfs/dbraw/zinc/58/03/23/949580323.db2.gz MMVAXITXRJHRGF-DOTOQJQBSA-N -1 1 392.467 1.791 20 0 GDADMM CC(C)CC(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1c1ccccc1 ZINC001574124758 949580334 /nfs/dbraw/zinc/58/03/34/949580334.db2.gz MMVAXITXRJHRGF-DOTOQJQBSA-N -1 1 392.467 1.791 20 0 GDADMM C[C@@H]1CCCC[C@@H]1OCC(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001576166515 949582122 /nfs/dbraw/zinc/58/21/22/949582122.db2.gz MSILHIAMLJZPGA-OLZOCXBDSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H]1CCCC[C@@H]1OCC(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001576166515 949582145 /nfs/dbraw/zinc/58/21/45/949582145.db2.gz MSILHIAMLJZPGA-OLZOCXBDSA-N -1 1 386.460 1.313 20 0 GDADMM CC1(C(=O)N2CCCO[C@H](CNc3nccnc3-c3nnn[n-]3)C2)CCCC1 ZINC001575544836 949593263 /nfs/dbraw/zinc/59/32/63/949593263.db2.gz GLKJINHMGDMVSS-CYBMUJFWSA-N -1 1 386.460 1.266 20 0 GDADMM CC1(C(=O)N2CCCO[C@H](CNc3nccnc3-c3nn[n-]n3)C2)CCCC1 ZINC001575544836 949593274 /nfs/dbraw/zinc/59/32/74/949593274.db2.gz GLKJINHMGDMVSS-CYBMUJFWSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@@H](NC(=O)CCCC1CC1)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575270686 949595341 /nfs/dbraw/zinc/59/53/41/949595341.db2.gz FAFXUCIFRUTONQ-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](NC(=O)CCCC1CC1)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575270686 949595354 /nfs/dbraw/zinc/59/53/54/949595354.db2.gz FAFXUCIFRUTONQ-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](NC(=O)CCCC1CC1)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575270685 949597067 /nfs/dbraw/zinc/59/70/67/949597067.db2.gz FAFXUCIFRUTONQ-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](NC(=O)CCCC1CC1)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575270685 949597077 /nfs/dbraw/zinc/59/70/77/949597077.db2.gz FAFXUCIFRUTONQ-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)C[C@@H](C(=O)NC[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1)n1ccnc1 ZINC001574126087 949602450 /nfs/dbraw/zinc/60/24/50/949602450.db2.gz ZFTKHQCAQYMMQC-OCCSQVGLSA-N -1 1 384.448 1.057 20 0 GDADMM CC(C)C[C@@H](C(=O)NC[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574126087 949602459 /nfs/dbraw/zinc/60/24/59/949602459.db2.gz ZFTKHQCAQYMMQC-OCCSQVGLSA-N -1 1 384.448 1.057 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2C=CC=CC=C2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575874127 949603476 /nfs/dbraw/zinc/60/34/76/949603476.db2.gz RNGUPBCEBQZJIE-HIFRSBDPSA-N -1 1 378.440 1.429 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2C=CC=CC=C2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575874127 949603488 /nfs/dbraw/zinc/60/34/88/949603488.db2.gz RNGUPBCEBQZJIE-HIFRSBDPSA-N -1 1 378.440 1.429 20 0 GDADMM C[C@H]1[C@@H](NC(=O)Cc2ccccc2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575874395 949615212 /nfs/dbraw/zinc/61/52/12/949615212.db2.gz GGYRLQGHAXWSKZ-ZFWWWQNUSA-N -1 1 378.440 1.373 20 0 GDADMM C[C@H]1[C@@H](NC(=O)Cc2ccccc2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575874395 949615227 /nfs/dbraw/zinc/61/52/27/949615227.db2.gz GGYRLQGHAXWSKZ-ZFWWWQNUSA-N -1 1 378.440 1.373 20 0 GDADMM C[C@@]1(C(=O)N2CCCCC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CCOC1 ZINC001575546928 949618087 /nfs/dbraw/zinc/61/80/87/949618087.db2.gz SWNDPKDNJAPBBZ-FZKQIMNGSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@@]1(C(=O)N2CCCCC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CCOC1 ZINC001575546928 949618099 /nfs/dbraw/zinc/61/80/99/949618099.db2.gz SWNDPKDNJAPBBZ-FZKQIMNGSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@H]1CCC(C)(C)CO1)Nc1nccnc1-c1nnn[n-]1 ZINC001574714432 949626681 /nfs/dbraw/zinc/62/66/81/949626681.db2.gz DATQKOPEALSBLA-CHWSQXEVSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@H]1CCC(C)(C)CO1)Nc1nccnc1-c1nn[n-]n1 ZINC001574714432 949626701 /nfs/dbraw/zinc/62/67/01/949626701.db2.gz DATQKOPEALSBLA-CHWSQXEVSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CC(=O)N(C)CCCN(C)c1ccnc(-c2nn[n-]n2)n1)n1cccc1 ZINC001574476915 949630632 /nfs/dbraw/zinc/63/06/32/949630632.db2.gz LVAXDNWMSXIAPO-CQSZACIVSA-N -1 1 383.460 1.394 20 0 GDADMM C[C@@H]1CCCC[C@@H]1OCC(=O)N(C)CCN(C)c1nccnc1-c1nnn[n-]1 ZINC001576168547 949645560 /nfs/dbraw/zinc/64/55/60/949645560.db2.gz VGEYYJAXIIZKRR-KGLIPLIRSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@@H]1CCCC[C@@H]1OCC(=O)N(C)CCN(C)c1nccnc1-c1nn[n-]n1 ZINC001576168547 949645574 /nfs/dbraw/zinc/64/55/74/949645574.db2.gz VGEYYJAXIIZKRR-KGLIPLIRSA-N -1 1 388.476 1.147 20 0 GDADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1Cc2ccccc21 ZINC001573815191 949648065 /nfs/dbraw/zinc/64/80/65/949648065.db2.gz GVZZQPGIGSIVFY-CABCVRRESA-N -1 1 392.467 1.361 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CC2CC(C)(C)C2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575876863 949652429 /nfs/dbraw/zinc/65/24/29/949652429.db2.gz YSQWPEZJJYFITF-OCCSQVGLSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CC2CC(C)(C)C2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575876863 949652443 /nfs/dbraw/zinc/65/24/43/949652443.db2.gz YSQWPEZJJYFITF-OCCSQVGLSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H](CC(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1)c1ccc(F)cc1 ZINC001574477675 949671696 /nfs/dbraw/zinc/67/16/96/949671696.db2.gz QFGXENOAYYPJKJ-GFCCVEGCSA-N -1 1 384.419 1.860 20 0 GDADMM C[C@H](CC(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1)c1ccc(F)cc1 ZINC001574477675 949671709 /nfs/dbraw/zinc/67/17/09/949671709.db2.gz QFGXENOAYYPJKJ-GFCCVEGCSA-N -1 1 384.419 1.860 20 0 GDADMM C[C@H](CN(C)C(=O)CC[C@H]1CC(C)(C)CO1)Nc1nccnc1-c1nnn[n-]1 ZINC001574716069 949677916 /nfs/dbraw/zinc/67/79/16/949677916.db2.gz ICWWLWUGVCQRPG-OLZOCXBDSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CN(C)C(=O)CC[C@H]1CC(C)(C)CO1)Nc1nccnc1-c1nn[n-]n1 ZINC001574716069 949677926 /nfs/dbraw/zinc/67/79/26/949677926.db2.gz ICWWLWUGVCQRPG-OLZOCXBDSA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1ccncc1F ZINC001573816747 949683619 /nfs/dbraw/zinc/68/36/19/949683619.db2.gz UZXGSFCDSJPSMW-ZDUSSCGKSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ccncc1F ZINC001573816747 949683631 /nfs/dbraw/zinc/68/36/31/949683631.db2.gz UZXGSFCDSJPSMW-ZDUSSCGKSA-N -1 1 385.407 1.447 20 0 GDADMM C[C@@H](CN(C)C(=O)CC[C@@H]1CC(C)(C)CO1)Nc1nccnc1-c1nnn[n-]1 ZINC001574716243 949684958 /nfs/dbraw/zinc/68/49/58/949684958.db2.gz ICWWLWUGVCQRPG-QWHCGFSZSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CN(C)C(=O)CC[C@@H]1CC(C)(C)CO1)Nc1nccnc1-c1nn[n-]n1 ZINC001574716243 949684977 /nfs/dbraw/zinc/68/49/77/949684977.db2.gz ICWWLWUGVCQRPG-QWHCGFSZSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H]1CCCN(C(=O)Cc2ccoc2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576169948 949698268 /nfs/dbraw/zinc/69/82/68/949698268.db2.gz IIHDAHWWOIZJHX-IUODEOHRSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@@H]1CCCN(C(=O)Cc2ccoc2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576169948 949698278 /nfs/dbraw/zinc/69/82/78/949698278.db2.gz IIHDAHWWOIZJHX-IUODEOHRSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@@H](CC(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1)c1ccccc1F ZINC001574478404 949708733 /nfs/dbraw/zinc/70/87/33/949708733.db2.gz XKSOISCIUWNYNN-LBPRGKRZSA-N -1 1 384.419 1.860 20 0 GDADMM C[C@@H](CC(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1)c1ccccc1F ZINC001574478404 949708765 /nfs/dbraw/zinc/70/87/65/949708765.db2.gz XKSOISCIUWNYNN-LBPRGKRZSA-N -1 1 384.419 1.860 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CCc2ccoc2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575881251 949716029 /nfs/dbraw/zinc/71/60/29/949716029.db2.gz WSHZNRAROOWIED-TZMCWYRMSA-N -1 1 382.428 1.356 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CCc2ccoc2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575881251 949716045 /nfs/dbraw/zinc/71/60/45/949716045.db2.gz WSHZNRAROOWIED-TZMCWYRMSA-N -1 1 382.428 1.356 20 0 GDADMM C[C@H](NC(=O)CCc1ccc(F)cc1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575276751 949729417 /nfs/dbraw/zinc/72/94/17/949729417.db2.gz LAABJKDEDUINCD-RYUDHWBXSA-N -1 1 384.419 1.734 20 0 GDADMM C[C@H](NC(=O)CCc1ccc(F)cc1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575276751 949729431 /nfs/dbraw/zinc/72/94/31/949729431.db2.gz LAABJKDEDUINCD-RYUDHWBXSA-N -1 1 384.419 1.734 20 0 GDADMM C[C@@]1(C(=O)N[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C2CCCC2)CCOC1 ZINC001575558341 949734747 /nfs/dbraw/zinc/73/47/47/949734747.db2.gz OUBHENIUBIBHKV-SCLBCKFNSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@]1(C(=O)N[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C2CCCC2)CCOC1 ZINC001575558341 949734764 /nfs/dbraw/zinc/73/47/64/949734764.db2.gz OUBHENIUBIBHKV-SCLBCKFNSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@H](CC(=O)N1CCC(CN(C)c2cncc(-c3nnn[n-]3)n2)CC1)C1CC1 ZINC001574480836 949757322 /nfs/dbraw/zinc/75/73/22/949757322.db2.gz KIGWUMIYWZPLME-CYBMUJFWSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H]1CCCN(C(=O)Cc2ccc[nH]2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576171339 949757340 /nfs/dbraw/zinc/75/73/40/949757340.db2.gz QKWPOVKBTJWPSR-IUODEOHRSA-N -1 1 381.444 1.267 20 0 GDADMM C[C@@H]1CCCN(C(=O)Cc2ccc[nH]2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576171339 949757351 /nfs/dbraw/zinc/75/73/51/949757351.db2.gz QKWPOVKBTJWPSR-IUODEOHRSA-N -1 1 381.444 1.267 20 0 GDADMM C[C@H](CC(=O)N1CCC(CN(C)c2cncc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001574480836 949757338 /nfs/dbraw/zinc/75/73/38/949757338.db2.gz KIGWUMIYWZPLME-CYBMUJFWSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001574480838 949758471 /nfs/dbraw/zinc/75/84/71/949758471.db2.gz KJDHMJCKCIVCMB-NXEZZACHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001574480838 949758500 /nfs/dbraw/zinc/75/85/00/949758500.db2.gz KJDHMJCKCIVCMB-NXEZZACHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1)c1ccccc1 ZINC001574480818 949759527 /nfs/dbraw/zinc/75/95/27/949759527.db2.gz JWFLMWCQAMHPLV-HOCLYGCPSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1)c1ccccc1 ZINC001574480818 949759547 /nfs/dbraw/zinc/75/95/47/949759547.db2.gz JWFLMWCQAMHPLV-HOCLYGCPSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@@H](NC(=O)CCOc1ccccc1)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575277895 949759997 /nfs/dbraw/zinc/75/99/97/949759997.db2.gz SFSPKEXFSWZQSH-CHWSQXEVSA-N -1 1 382.428 1.431 20 0 GDADMM C[C@@H](NC(=O)CCOc1ccccc1)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575277895 949760012 /nfs/dbraw/zinc/76/00/12/949760012.db2.gz SFSPKEXFSWZQSH-CHWSQXEVSA-N -1 1 382.428 1.431 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H](CN(C)c2nccnc2-c2nnn[n-]2)C1)C1CC1 ZINC001574481190 949766752 /nfs/dbraw/zinc/76/67/52/949766752.db2.gz NEOMZURPCGCWKF-KBPBESRZSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H](CN(C)c2nccnc2-c2nn[n-]n2)C1)C1CC1 ZINC001574481190 949766771 /nfs/dbraw/zinc/76/67/71/949766771.db2.gz NEOMZURPCGCWKF-KBPBESRZSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)Cc1cncs1 ZINC001573821363 949771591 /nfs/dbraw/zinc/77/15/91/949771591.db2.gz ATSOTCITJWYADK-LLVKDONJSA-N -1 1 387.473 1.299 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)Cc1cncs1 ZINC001573821363 949771609 /nfs/dbraw/zinc/77/16/09/949771609.db2.gz ATSOTCITJWYADK-LLVKDONJSA-N -1 1 387.473 1.299 20 0 GDADMM CC1(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001575560087 949776170 /nfs/dbraw/zinc/77/61/70/949776170.db2.gz KHKUAQIIPTYSAM-AGUYFDCRSA-N -1 1 382.472 1.853 20 0 GDADMM CC1(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(c2ccc(-c4nnn[n-]4)nn2)C3)CCCC1 ZINC001575560034 949776615 /nfs/dbraw/zinc/77/66/15/949776615.db2.gz JCOCMPNXPOBEMQ-IHRRRGAJSA-N -1 1 382.472 1.711 20 0 GDADMM CC1(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(c2ccc(-c4nn[n-]n4)nn2)C3)CCCC1 ZINC001575560034 949776633 /nfs/dbraw/zinc/77/66/33/949776633.db2.gz JCOCMPNXPOBEMQ-IHRRRGAJSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H](CNC(=O)c1c(F)cc(F)cc1F)Nc1nccnc1-c1nnn[n-]1 ZINC001574964832 949785154 /nfs/dbraw/zinc/78/51/54/949785154.db2.gz AMIIPYULRCDFEZ-SSDOTTSWSA-N -1 1 378.318 1.304 20 0 GDADMM C[C@H](CNC(=O)c1c(F)cc(F)cc1F)Nc1nccnc1-c1nn[n-]n1 ZINC001574964832 949785167 /nfs/dbraw/zinc/78/51/67/949785167.db2.gz AMIIPYULRCDFEZ-SSDOTTSWSA-N -1 1 378.318 1.304 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C1(F)CCOCC1 ZINC001573822198 949789132 /nfs/dbraw/zinc/78/91/32/949789132.db2.gz GIBGPDSLICVGBY-NSHDSACASA-N -1 1 392.439 1.118 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C1(F)CCOCC1 ZINC001573822198 949789146 /nfs/dbraw/zinc/78/91/46/949789146.db2.gz GIBGPDSLICVGBY-NSHDSACASA-N -1 1 392.439 1.118 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccc(Cl)[nH]1 ZINC001573822376 949790712 /nfs/dbraw/zinc/79/07/12/949790712.db2.gz IDIYFANGVQQUHV-LLVKDONJSA-N -1 1 389.851 1.895 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccc(Cl)[nH]1 ZINC001573822376 949790728 /nfs/dbraw/zinc/79/07/28/949790728.db2.gz IDIYFANGVQQUHV-LLVKDONJSA-N -1 1 389.851 1.895 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CCCOCC1 ZINC001573822435 949793973 /nfs/dbraw/zinc/79/39/73/949793973.db2.gz JHNDSUSQHSBYQC-CHWSQXEVSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CCCOCC1 ZINC001573822435 949793990 /nfs/dbraw/zinc/79/39/90/949793990.db2.gz JHNDSUSQHSBYQC-CHWSQXEVSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@@H](CNC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1)NC(=O)OC(C)(C)C ZINC001574965998 949826223 /nfs/dbraw/zinc/82/62/23/949826223.db2.gz RHKJLSNMEGRPSC-JTQLQIEISA-N -1 1 385.428 1.991 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2cc(Cl)c[nH]2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575885040 949860591 /nfs/dbraw/zinc/86/05/91/949860591.db2.gz KCODRABMTMUSSB-KOLCDFICSA-N -1 1 387.835 1.426 20 0 GDADMM C[C@H](NC(=O)Cc1c(F)cccc1F)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575283392 949872405 /nfs/dbraw/zinc/87/24/05/949872405.db2.gz ORCDURUBAFSJTL-UWVGGRQHSA-N -1 1 388.382 1.483 20 0 GDADMM C[C@H](NC(=O)Cc1c(F)cccc1F)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575283392 949872427 /nfs/dbraw/zinc/87/24/27/949872427.db2.gz ORCDURUBAFSJTL-UWVGGRQHSA-N -1 1 388.382 1.483 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccco2)[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576178087 949877741 /nfs/dbraw/zinc/87/77/41/949877741.db2.gz AQLMUERBZFWYGN-OCCSQVGLSA-N -1 1 382.428 1.993 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccco2)[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576178087 949877767 /nfs/dbraw/zinc/87/77/67/949877767.db2.gz AQLMUERBZFWYGN-OCCSQVGLSA-N -1 1 382.428 1.993 20 0 GDADMM C[C@H](CC(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C1CCCCC1 ZINC001574484336 949879139 /nfs/dbraw/zinc/87/91/39/949879139.db2.gz ZRYRXUALYVHXHS-CQSZACIVSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@H](CC(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C1CCCCC1 ZINC001574484336 949879161 /nfs/dbraw/zinc/87/91/61/949879161.db2.gz ZRYRXUALYVHXHS-CQSZACIVSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cncs2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576178528 949892049 /nfs/dbraw/zinc/89/20/49/949892049.db2.gz BXKVHVUORNVWQY-ZYHUDNBSSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cncs2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576178528 949892076 /nfs/dbraw/zinc/89/20/76/949892076.db2.gz BXKVHVUORNVWQY-ZYHUDNBSSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001574485228 949918087 /nfs/dbraw/zinc/91/80/87/949918087.db2.gz VLFNIHJHQZZXOS-GOEBONIOSA-N -1 1 392.467 1.675 20 0 GDADMM C[C@@H](CC(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)C(F)(F)F ZINC001574487664 949931171 /nfs/dbraw/zinc/93/11/71/949931171.db2.gz ASXCBHOVDBGOGH-KWQFWETISA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](CC(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)C(F)(F)F ZINC001574487664 949931186 /nfs/dbraw/zinc/93/11/86/949931186.db2.gz ASXCBHOVDBGOGH-KWQFWETISA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H](C)NC(=O)COc1ccc(F)cc1 ZINC001575285095 949933087 /nfs/dbraw/zinc/93/30/87/949933087.db2.gz YGUWUAITYKTPFN-WDEREUQCSA-N -1 1 386.391 1.180 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H](C)NC(=O)COc1ccc(F)cc1 ZINC001575285095 949933101 /nfs/dbraw/zinc/93/31/01/949933101.db2.gz YGUWUAITYKTPFN-WDEREUQCSA-N -1 1 386.391 1.180 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574146053 949933257 /nfs/dbraw/zinc/93/32/57/949933257.db2.gz WNENXVSQGDJQPH-CQSZACIVSA-N -1 1 388.476 1.147 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574146053 949933272 /nfs/dbraw/zinc/93/32/72/949933272.db2.gz WNENXVSQGDJQPH-CQSZACIVSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H](C)NC(=O)CN(C)c1ccccc1 ZINC001575285496 949948611 /nfs/dbraw/zinc/94/86/11/949948611.db2.gz NVWIKLCXAAGTHR-OLZOCXBDSA-N -1 1 381.444 1.098 20 0 GDADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)CN(C)c1ccccc1 ZINC001575285496 949948624 /nfs/dbraw/zinc/94/86/24/949948624.db2.gz NVWIKLCXAAGTHR-OLZOCXBDSA-N -1 1 381.444 1.098 20 0 GDADMM C[C@H](NC(=O)CN(C)c1ccccc1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575285904 949963293 /nfs/dbraw/zinc/96/32/93/949963293.db2.gz RQPMIVRVLJCIMW-STQMWFEESA-N -1 1 381.444 1.098 20 0 GDADMM C[C@H](NC(=O)CN(C)c1ccccc1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575285904 949963309 /nfs/dbraw/zinc/96/33/09/949963309.db2.gz RQPMIVRVLJCIMW-STQMWFEESA-N -1 1 381.444 1.098 20 0 GDADMM C[C@H](CC(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)C(F)(F)F ZINC001574490003 949973885 /nfs/dbraw/zinc/97/38/85/949973885.db2.gz MPIDGWFLWQWSLO-SCZZXKLOSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](CC(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)C(F)(F)F ZINC001574490003 949973903 /nfs/dbraw/zinc/97/39/03/949973903.db2.gz MPIDGWFLWQWSLO-SCZZXKLOSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1)CC(C)(C)C ZINC001574490372 949988792 /nfs/dbraw/zinc/98/87/92/949988792.db2.gz QJWAHSFCBZLCOR-RDBSUJKOSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1)CC(C)(C)C ZINC001574490372 949988810 /nfs/dbraw/zinc/98/88/10/949988810.db2.gz QJWAHSFCBZLCOR-RDBSUJKOSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ccc(Cl)cc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574728547 949993518 /nfs/dbraw/zinc/99/35/18/949993518.db2.gz CTDAYBOIOMQBIE-LLVKDONJSA-N -1 1 386.847 1.812 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ccc(Cl)cc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574728547 949993526 /nfs/dbraw/zinc/99/35/26/949993526.db2.gz CTDAYBOIOMQBIE-LLVKDONJSA-N -1 1 386.847 1.812 20 0 GDADMM C[C@H]1CCN(C(=O)C2(CF)CCC2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576181489 950008478 /nfs/dbraw/zinc/00/84/78/950008478.db2.gz INHFEQUJTLVCMT-QWHCGFSZSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@H]1CCN(C(=O)C2(CF)CCC2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576181489 950008496 /nfs/dbraw/zinc/00/84/96/950008496.db2.gz INHFEQUJTLVCMT-QWHCGFSZSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1cccc(Cl)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001574728918 950009685 /nfs/dbraw/zinc/00/96/85/950009685.db2.gz KYCLKGYYIVNMEY-LLVKDONJSA-N -1 1 386.847 1.812 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1cccc(Cl)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001574728918 950009707 /nfs/dbraw/zinc/00/97/07/950009707.db2.gz KYCLKGYYIVNMEY-LLVKDONJSA-N -1 1 386.847 1.812 20 0 GDADMM C[C@@H](CC(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)c1ccco1 ZINC001574490667 950012410 /nfs/dbraw/zinc/01/24/10/950012410.db2.gz XBLLIQZHKIGSOM-WCQYABFASA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](CC(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)c1ccco1 ZINC001574490667 950012431 /nfs/dbraw/zinc/01/24/31/950012431.db2.gz XBLLIQZHKIGSOM-WCQYABFASA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ccccc2F)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575891660 950024352 /nfs/dbraw/zinc/02/43/52/950024352.db2.gz MKGTTWMXOOCGIV-RISCZKNCSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@@H](CC(=O)NC1CC(CNc2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001574491181 950026010 /nfs/dbraw/zinc/02/60/10/950026010.db2.gz AONAACBQFHSEQY-IDKOKCKLSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](CC(=O)NC1CC(CNc2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001574491181 950026030 /nfs/dbraw/zinc/02/60/30/950026030.db2.gz AONAACBQFHSEQY-IDKOKCKLSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H]1CCN(C(=O)C2(CCF)CC2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576182046 950036508 /nfs/dbraw/zinc/03/65/08/950036508.db2.gz KRSNWDUNFWDPEE-QWHCGFSZSA-N -1 1 388.451 1.115 20 0 GDADMM CC(C)(C)CC(=O)N[C@H]1COC2(CN(Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001573835190 950036936 /nfs/dbraw/zinc/03/69/36/950036936.db2.gz QLIKMTVNSZVXIH-GFCCVEGCSA-N -1 1 390.513 1.824 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2ccc(F)s2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575892071 950051093 /nfs/dbraw/zinc/05/10/93/950051093.db2.gz REUPOLBNSVQZQY-VHSXEESVSA-N -1 1 388.432 1.645 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2ccc(F)s2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575892071 950051115 /nfs/dbraw/zinc/05/11/15/950051115.db2.gz REUPOLBNSVQZQY-VHSXEESVSA-N -1 1 388.432 1.645 20 0 GDADMM C[C@H](CC(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C(F)(F)F ZINC001574492506 950089348 /nfs/dbraw/zinc/08/93/48/950089348.db2.gz NOFUYEWIOYICJJ-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](CC(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C(F)(F)F ZINC001574492506 950089369 /nfs/dbraw/zinc/08/93/69/950089369.db2.gz NOFUYEWIOYICJJ-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](C)N(C)c1cnc(-c2nnn[n-]2)cn1)c1ccncc1 ZINC001574492563 950094728 /nfs/dbraw/zinc/09/47/28/950094728.db2.gz BGYHMCGLDSBWIY-STQMWFEESA-N -1 1 381.444 1.186 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1)c1ccncc1 ZINC001574492563 950094747 /nfs/dbraw/zinc/09/47/47/950094747.db2.gz BGYHMCGLDSBWIY-STQMWFEESA-N -1 1 381.444 1.186 20 0 GDADMM CC1(C(=O)NC[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)CC(F)(F)C1 ZINC001575582492 950116011 /nfs/dbraw/zinc/11/60/11/950116011.db2.gz DLNMNOWZXXWWBH-LLVKDONJSA-N -1 1 392.414 1.425 20 0 GDADMM CC1(C(=O)NC[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)CC(F)(F)C1 ZINC001575582492 950116022 /nfs/dbraw/zinc/11/60/22/950116022.db2.gz DLNMNOWZXXWWBH-LLVKDONJSA-N -1 1 392.414 1.425 20 0 GDADMM CC(C)(C)CC(C)(C)C(=O)NC[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573839150 950124348 /nfs/dbraw/zinc/12/43/48/950124348.db2.gz MLIJOWHZWDHKMO-NSHDSACASA-N -1 1 376.465 1.008 20 0 GDADMM CC(C)(C)CC(C)(C)C(=O)NC[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573839150 950124360 /nfs/dbraw/zinc/12/43/60/950124360.db2.gz MLIJOWHZWDHKMO-NSHDSACASA-N -1 1 376.465 1.008 20 0 GDADMM C[C@H]1CCN(C(=O)C2(F)CCCC2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576184641 950136369 /nfs/dbraw/zinc/13/63/69/950136369.db2.gz WMKCBWQYKXWFBQ-STQMWFEESA-N -1 1 388.451 1.836 20 0 GDADMM C[C@H]1CCN(C(=O)C2(F)CCCC2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576184641 950136383 /nfs/dbraw/zinc/13/63/83/950136383.db2.gz WMKCBWQYKXWFBQ-STQMWFEESA-N -1 1 388.451 1.836 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@@](C)(O)C1CC1 ZINC001574154084 950166850 /nfs/dbraw/zinc/16/68/50/950166850.db2.gz AZCDYNPCCYIPEJ-SCLBCKFNSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@@](C)(O)C1CC1 ZINC001574154084 950166859 /nfs/dbraw/zinc/16/68/59/950166859.db2.gz AZCDYNPCCYIPEJ-SCLBCKFNSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)C(C)(F)F ZINC001574154285 950167643 /nfs/dbraw/zinc/16/76/43/950167643.db2.gz CTEHIIXDULYNQG-GHMZBOCLSA-N -1 1 382.419 1.313 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H]1Cc2ccccc21 ZINC001574155543 950196708 /nfs/dbraw/zinc/19/67/08/950196708.db2.gz NIGAPRPMJHTGGO-GOEBONIOSA-N -1 1 392.467 1.939 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H]1Cc2ccccc21 ZINC001574155543 950196714 /nfs/dbraw/zinc/19/67/14/950196714.db2.gz NIGAPRPMJHTGGO-GOEBONIOSA-N -1 1 392.467 1.939 20 0 GDADMM CC1(C(=O)NC[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CC(F)(F)C1 ZINC001575585652 950201982 /nfs/dbraw/zinc/20/19/82/950201982.db2.gz BTVZMKDZQXXVHN-SNVBAGLBSA-N -1 1 378.387 1.035 20 0 GDADMM CC1(C(=O)NC[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CC(F)(F)C1 ZINC001575585652 950201988 /nfs/dbraw/zinc/20/19/88/950201988.db2.gz BTVZMKDZQXXVHN-SNVBAGLBSA-N -1 1 378.387 1.035 20 0 GDADMM C[C@H]1CCN(C(=O)c2cccs2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576192089 950223876 /nfs/dbraw/zinc/22/38/76/950223876.db2.gz LPIUPPRBRUWILT-NWDGAFQWSA-N -1 1 384.469 1.929 20 0 GDADMM C[C@H]1CCN(C(=O)c2cccs2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576192089 950223894 /nfs/dbraw/zinc/22/38/94/950223894.db2.gz LPIUPPRBRUWILT-NWDGAFQWSA-N -1 1 384.469 1.929 20 0 GDADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001574156171 950229193 /nfs/dbraw/zinc/22/91/93/950229193.db2.gz YFFDGPXTUCKXPG-KSMMKXTCSA-N -1 1 384.488 1.602 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCC1)[C@@H]1CCCO1 ZINC001574497873 950248117 /nfs/dbraw/zinc/24/81/17/950248117.db2.gz FNLDLSCPOFJJEU-OCCSQVGLSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCC1)[C@@H]1CCCO1 ZINC001574497873 950248137 /nfs/dbraw/zinc/24/81/37/950248137.db2.gz FNLDLSCPOFJJEU-OCCSQVGLSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCC1)[C@H]1CCCO1 ZINC001574497871 950248234 /nfs/dbraw/zinc/24/82/34/950248234.db2.gz FNLDLSCPOFJJEU-GXTWGEPZSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCC1)[C@H]1CCCO1 ZINC001574497871 950248245 /nfs/dbraw/zinc/24/82/45/950248245.db2.gz FNLDLSCPOFJJEU-GXTWGEPZSA-N -1 1 386.460 1.313 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cc[nH]c(=O)c1 ZINC001574157976 950264942 /nfs/dbraw/zinc/26/49/42/950264942.db2.gz MADGVRHXNROGEA-LBPRGKRZSA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cc[nH]c(=O)c1 ZINC001574157976 950264963 /nfs/dbraw/zinc/26/49/63/950264963.db2.gz MADGVRHXNROGEA-LBPRGKRZSA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)(C)NS(=O)(=O)c1ccccc1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001573850179 950270310 /nfs/dbraw/zinc/27/03/10/950270310.db2.gz GVZMMJPYHZIMMO-UHFFFAOYSA-N -1 1 390.425 1.789 20 0 GDADMM CC(C)(C)NS(=O)(=O)c1ccccc1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001573850179 950270323 /nfs/dbraw/zinc/27/03/23/950270323.db2.gz GVZMMJPYHZIMMO-UHFFFAOYSA-N -1 1 390.425 1.789 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H](O)CNc1nccnc1-c1nnn[n-]1)C1CCCCC1 ZINC001574498861 950287949 /nfs/dbraw/zinc/28/79/49/950287949.db2.gz QMNKQTDHJHRXCJ-GXTWGEPZSA-N -1 1 388.476 1.152 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H](O)CNc1nccnc1-c1nn[n-]n1)C1CCCCC1 ZINC001574498861 950287966 /nfs/dbraw/zinc/28/79/66/950287966.db2.gz QMNKQTDHJHRXCJ-GXTWGEPZSA-N -1 1 388.476 1.152 20 0 GDADMM C[C@H](CC(=O)NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccco1 ZINC001574500041 950310232 /nfs/dbraw/zinc/31/02/32/950310232.db2.gz XZFCNSBIQINNGY-PNESKVBLSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](CC(=O)NCC1CC(Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574500041 950310247 /nfs/dbraw/zinc/31/02/47/950310247.db2.gz XZFCNSBIQINNGY-PNESKVBLSA-N -1 1 382.428 1.750 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001573853213 950321826 /nfs/dbraw/zinc/32/18/26/950321826.db2.gz OGPARSQZELEQGC-SNVBAGLBSA-N -1 1 388.432 1.805 20 0 GDADMM CC1(C(=O)NCCC2CCN(c3nccnc3-c3nnn[n-]3)CC2)CCCC1 ZINC001575594634 950336152 /nfs/dbraw/zinc/33/61/52/950336152.db2.gz VIYWRNZVVGBZRH-UHFFFAOYSA-N -1 1 384.488 1.960 20 0 GDADMM CC1(C(=O)NCCC2CCN(c3nccnc3-c3nn[n-]n3)CC2)CCCC1 ZINC001575594634 950336174 /nfs/dbraw/zinc/33/61/74/950336174.db2.gz VIYWRNZVVGBZRH-UHFFFAOYSA-N -1 1 384.488 1.960 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@H]2C(=O)Nc2n[nH]cc2-c2nnn[n-]2)C1 ZINC001573854295 950342842 /nfs/dbraw/zinc/34/28/42/950342842.db2.gz ZLRMCYDKKWJCAC-APPDUMDISA-N -1 1 388.432 1.566 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@H]2C(=O)Nc2n[nH]cc2-c2nn[n-]n2)C1 ZINC001573854295 950342864 /nfs/dbraw/zinc/34/28/64/950342864.db2.gz ZLRMCYDKKWJCAC-APPDUMDISA-N -1 1 388.432 1.566 20 0 GDADMM C[C@@H](CN(C)C(=O)c1c(F)cccc1Cl)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574744309 950354289 /nfs/dbraw/zinc/35/42/89/950354289.db2.gz YNXMWNFMVLHPCC-VIFPVBQESA-N -1 1 390.810 1.444 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C1CC(F)(F)C1 ZINC001574161325 950358109 /nfs/dbraw/zinc/35/81/09/950358109.db2.gz SZRHYABLJWAAHZ-NSHDSACASA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C1CC(F)(F)C1 ZINC001574161325 950358126 /nfs/dbraw/zinc/35/81/26/950358126.db2.gz SZRHYABLJWAAHZ-NSHDSACASA-N -1 1 380.403 1.645 20 0 GDADMM CC1(C(=O)NC[C@H]2CN(Cc3ccc(-c4nn[n-]n4)s3)CCO2)CCC1 ZINC001575596091 950367337 /nfs/dbraw/zinc/36/73/37/950367337.db2.gz RUGDKNZOJMSHHC-LBPRGKRZSA-N -1 1 376.486 1.435 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001574502274 950369534 /nfs/dbraw/zinc/36/95/34/950369534.db2.gz LJEZVCNDWAZEQB-GOEBONIOSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001574503024 950398643 /nfs/dbraw/zinc/39/86/43/950398643.db2.gz SFELGRBJXUCPEM-ZIAGYGMSSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001574503024 950398666 /nfs/dbraw/zinc/39/86/66/950398666.db2.gz SFELGRBJXUCPEM-ZIAGYGMSSA-N -1 1 381.444 1.052 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C1(C(F)F)CC1 ZINC001574163537 950425457 /nfs/dbraw/zinc/42/54/57/950425457.db2.gz VQXNZCMPAHDYKK-JTQLQIEISA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C1(C(F)F)CC1 ZINC001574163537 950425473 /nfs/dbraw/zinc/42/54/73/950425473.db2.gz VQXNZCMPAHDYKK-JTQLQIEISA-N -1 1 380.403 1.645 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)[C@H]1CCCO1 ZINC001574506468 950437236 /nfs/dbraw/zinc/43/72/36/950437236.db2.gz DXBKVYPIICIRKV-RGCMKSIDSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)[C@H]1CCCO1 ZINC001574506468 950437250 /nfs/dbraw/zinc/43/72/50/950437250.db2.gz DXBKVYPIICIRKV-RGCMKSIDSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)[C@H]1CCCO1 ZINC001574506469 950438865 /nfs/dbraw/zinc/43/88/65/950438865.db2.gz DXBKVYPIICIRKV-RMRHIDDWSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)[C@H]1CCCO1 ZINC001574506469 950438877 /nfs/dbraw/zinc/43/88/77/950438877.db2.gz DXBKVYPIICIRKV-RMRHIDDWSA-N -1 1 386.460 1.169 20 0 GDADMM CC1(C(=O)N[C@@H]2CCCC[C@H]2Nc2cnc(-c3nnn[n-]3)cn2)CC(F)(F)C1 ZINC001575600382 950441384 /nfs/dbraw/zinc/44/13/84/950441384.db2.gz XHQIUDQIDGWWLG-GHMZBOCLSA-N -1 1 392.414 1.931 20 0 GDADMM CC1(C(=O)N[C@@H]2CCCC[C@H]2Nc2cnc(-c3nn[n-]n3)cn2)CC(F)(F)C1 ZINC001575600382 950441392 /nfs/dbraw/zinc/44/13/92/950441392.db2.gz XHQIUDQIDGWWLG-GHMZBOCLSA-N -1 1 392.414 1.931 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc(Cl)ccc1F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574751652 950460804 /nfs/dbraw/zinc/46/08/04/950460804.db2.gz PVRHQJJGCPZNEB-VIFPVBQESA-N -1 1 390.810 1.444 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc2ccccc2n1C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574751639 950461462 /nfs/dbraw/zinc/46/14/62/950461462.db2.gz PPHAVHYOYOUXLW-LBPRGKRZSA-N -1 1 391.439 1.143 20 0 GDADMM CC(C)CC1(C(=O)NC[C@@H](O)CNc2cncc(-c3nnn[n-]3)n2)CCCC1 ZINC001574166353 950461498 /nfs/dbraw/zinc/46/14/98/950461498.db2.gz OZJYAMHOLPMITE-ZDUSSCGKSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)CC1(C(=O)NC[C@@H](O)CNc2cncc(-c3nn[n-]n3)n2)CCCC1 ZINC001574166353 950461515 /nfs/dbraw/zinc/46/15/15/950461515.db2.gz OZJYAMHOLPMITE-ZDUSSCGKSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNC(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001573862522 950466424 /nfs/dbraw/zinc/46/64/24/950466424.db2.gz VHCJELFUIGJQAJ-NWDGAFQWSA-N -1 1 387.444 1.685 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNC(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001573862522 950466437 /nfs/dbraw/zinc/46/64/37/950466437.db2.gz VHCJELFUIGJQAJ-NWDGAFQWSA-N -1 1 387.444 1.685 20 0 GDADMM CC(C)CC1(C(=O)NC[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CCC1 ZINC001574166449 950467645 /nfs/dbraw/zinc/46/76/45/950467645.db2.gz SKEFCXOTWGAXEH-AWEZNQCLSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)CC1(C(=O)NC[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CCC1 ZINC001574166449 950467656 /nfs/dbraw/zinc/46/76/56/950467656.db2.gz SKEFCXOTWGAXEH-AWEZNQCLSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C(=O)N[C@H]2C[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)CC(F)(F)C1 ZINC001575607606 950506519 /nfs/dbraw/zinc/50/65/19/950506519.db2.gz KXBMKBNIZKRQOI-MGCOHNPYSA-N -1 1 378.387 1.399 20 0 GDADMM CC1(C(=O)N[C@H]2C[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)CC(F)(F)C1 ZINC001575607606 950506536 /nfs/dbraw/zinc/50/65/36/950506536.db2.gz KXBMKBNIZKRQOI-MGCOHNPYSA-N -1 1 378.387 1.399 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001574509500 950510706 /nfs/dbraw/zinc/51/07/06/950510706.db2.gz VQYYTHUPXCESMZ-MGPQQGTHSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574509500 950510724 /nfs/dbraw/zinc/51/07/24/950510724.db2.gz VQYYTHUPXCESMZ-MGPQQGTHSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCCn1cccc1 ZINC001575915747 950519486 /nfs/dbraw/zinc/51/94/86/950519486.db2.gz OBKPCDGOJALPEF-ZIAGYGMSSA-N -1 1 381.444 1.340 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCCn1cccc1 ZINC001575915747 950519507 /nfs/dbraw/zinc/51/95/07/950519507.db2.gz OBKPCDGOJALPEF-ZIAGYGMSSA-N -1 1 381.444 1.340 20 0 GDADMM C[C@H](CC(=O)NCCN(c1nccnc1-c1nnn[n-]1)C1CC1)c1ccco1 ZINC001574510049 950540726 /nfs/dbraw/zinc/54/07/26/950540726.db2.gz YWKBZPQROZLSGW-GFCCVEGCSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](CC(=O)NCCN(c1nccnc1-c1nn[n-]n1)C1CC1)c1ccco1 ZINC001574510049 950540746 /nfs/dbraw/zinc/54/07/46/950540746.db2.gz YWKBZPQROZLSGW-GFCCVEGCSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc(Cl)s1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574753907 950549924 /nfs/dbraw/zinc/54/99/24/950549924.db2.gz VOFVBNFDVFFGTH-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc(Cl)s1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574753907 950549940 /nfs/dbraw/zinc/54/99/40/950549940.db2.gz VOFVBNFDVFFGTH-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)CNc1nccnc1-c1nnn[n-]1 ZINC001574997694 950550532 /nfs/dbraw/zinc/55/05/32/950550532.db2.gz WMFXQTKTAUKAMA-JTQLQIEISA-N -1 1 384.448 1.155 20 0 GDADMM C[C@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)CNc1nccnc1-c1nn[n-]n1 ZINC001574997694 950550545 /nfs/dbraw/zinc/55/05/45/950550545.db2.gz WMFXQTKTAUKAMA-JTQLQIEISA-N -1 1 384.448 1.155 20 0 GDADMM C[C@H](CC(=O)N[C@H](C)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001574511061 950550939 /nfs/dbraw/zinc/55/09/39/950550939.db2.gz FMDRIPHFXMRDGY-CHWSQXEVSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)Cc1ccc(F)cc1 ZINC001575917156 950558771 /nfs/dbraw/zinc/55/87/71/950558771.db2.gz UYFKSWKSXZRGSZ-BXUZGUMPSA-N -1 1 382.403 1.440 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)Cc1ccc(F)cc1 ZINC001575917156 950558789 /nfs/dbraw/zinc/55/87/89/950558789.db2.gz UYFKSWKSXZRGSZ-BXUZGUMPSA-N -1 1 382.403 1.440 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)ccc1F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575001163 950624643 /nfs/dbraw/zinc/62/46/43/950624643.db2.gz UMSKKXKAWAQCEF-MRVPVSSYSA-N -1 1 376.783 1.102 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccsc1Cl)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574759259 950629840 /nfs/dbraw/zinc/62/98/40/950629840.db2.gz AJUAVZMLVAXZJX-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccsc1Cl)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574759259 950629849 /nfs/dbraw/zinc/62/98/49/950629849.db2.gz AJUAVZMLVAXZJX-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)ccc1F)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575001596 950640172 /nfs/dbraw/zinc/64/01/72/950640172.db2.gz WHTXPOIMCBQNAG-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)ccc1F)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575001596 950640185 /nfs/dbraw/zinc/64/01/85/950640185.db2.gz WHTXPOIMCBQNAG-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cccc2cccnc21)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574759587 950644342 /nfs/dbraw/zinc/64/43/42/950644342.db2.gz PCIAFYMANWISFT-LBPRGKRZSA-N -1 1 389.423 1.778 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cccc2cccnc21)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574759587 950644354 /nfs/dbraw/zinc/64/43/54/950644354.db2.gz PCIAFYMANWISFT-LBPRGKRZSA-N -1 1 389.423 1.778 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)ccc1Cl)CNc1nccnc1-c1nnn[n-]1 ZINC001575001883 950646621 /nfs/dbraw/zinc/64/66/21/950646621.db2.gz OARZGJOAEKDDHX-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)ccc1Cl)CNc1nccnc1-c1nn[n-]n1 ZINC001575001883 950646633 /nfs/dbraw/zinc/64/66/33/950646633.db2.gz OARZGJOAEKDDHX-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@H](CNC(=O)c1cc2c([nH]1)CCCC2)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575002602 950662916 /nfs/dbraw/zinc/66/29/16/950662916.db2.gz VWLRYPGXYXZZGK-LLVKDONJSA-N -1 1 381.444 1.118 20 0 GDADMM C[C@H](CNC(=O)c1cc2c([nH]1)CCCC2)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575002602 950662934 /nfs/dbraw/zinc/66/29/34/950662934.db2.gz VWLRYPGXYXZZGK-LLVKDONJSA-N -1 1 381.444 1.118 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CCC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573876360 950673247 /nfs/dbraw/zinc/67/32/47/950673247.db2.gz MLYWEOANFHUQMZ-MGPQQGTHSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CCC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573876360 950673259 /nfs/dbraw/zinc/67/32/59/950673259.db2.gz MLYWEOANFHUQMZ-MGPQQGTHSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H](CC(=O)N[C@]12CCC[C@H]1CN(c1ccc(-c3nnn[n-]3)nn1)C2)C1CC1 ZINC001574519287 950675841 /nfs/dbraw/zinc/67/58/41/950675841.db2.gz DOVUVQZHMJPEPA-PJFSTRORSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](CC(=O)N[C@]12CCC[C@H]1CN(c1ccc(-c3nn[n-]n3)nn1)C2)C1CC1 ZINC001574519287 950675855 /nfs/dbraw/zinc/67/58/55/950675855.db2.gz DOVUVQZHMJPEPA-PJFSTRORSA-N -1 1 382.472 1.568 20 0 GDADMM CC1(C)CC(C(=O)N2C[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@@]3(C)C2)C1 ZINC001575625123 950679829 /nfs/dbraw/zinc/67/98/29/950679829.db2.gz OUCIBAIRVQOVNG-YJYMSZOUSA-N -1 1 382.472 1.378 20 0 GDADMM CC1(C)CC(C(=O)N2C[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@@]3(C)C2)C1 ZINC001575625123 950679848 /nfs/dbraw/zinc/67/98/48/950679848.db2.gz OUCIBAIRVQOVNG-YJYMSZOUSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)C1CCC(F)(F)CC1 ZINC001575925995 950695990 /nfs/dbraw/zinc/69/59/90/950695990.db2.gz IJZUDNGUTBALLM-JQWIXIFHSA-N -1 1 392.414 1.884 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)C1CCC(F)(F)CC1 ZINC001575925995 950695999 /nfs/dbraw/zinc/69/59/99/950695999.db2.gz IJZUDNGUTBALLM-JQWIXIFHSA-N -1 1 392.414 1.884 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cn(C)c2ccccc12)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574762609 950707519 /nfs/dbraw/zinc/70/75/19/950707519.db2.gz ZNHRPHJCMNNLTF-LBPRGKRZSA-N -1 1 391.439 1.721 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cn(C)c2ccccc12)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574762609 950707535 /nfs/dbraw/zinc/70/75/35/950707535.db2.gz ZNHRPHJCMNNLTF-LBPRGKRZSA-N -1 1 391.439 1.721 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576215734 950708947 /nfs/dbraw/zinc/70/89/47/950708947.db2.gz BKFLEXWXRRLZFF-UWVGGRQHSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576215734 950708962 /nfs/dbraw/zinc/70/89/62/950708962.db2.gz BKFLEXWXRRLZFF-UWVGGRQHSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CC(C1CC1)C1CC1 ZINC001575926541 950714947 /nfs/dbraw/zinc/71/49/47/950714947.db2.gz XNPJZVLXRNRURY-XHDPSFHLSA-N -1 1 382.472 1.306 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576216166 950722927 /nfs/dbraw/zinc/72/29/27/950722927.db2.gz CMDVBOUSUMOLLD-MNOVXSKESA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576216166 950722942 /nfs/dbraw/zinc/72/29/42/950722942.db2.gz CMDVBOUSUMOLLD-MNOVXSKESA-N -1 1 392.414 1.599 20 0 GDADMM CC(C)CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001574180594 950727576 /nfs/dbraw/zinc/72/75/76/950727576.db2.gz UGPJERFQSZSACQ-QDMKHBRRSA-N -1 1 384.488 1.957 20 0 GDADMM CC(C)CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001574180594 950727588 /nfs/dbraw/zinc/72/75/88/950727588.db2.gz UGPJERFQSZSACQ-QDMKHBRRSA-N -1 1 384.488 1.957 20 0 GDADMM CC(C)(C)c1cc(NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)c(-c2nnn[n-]2)s1 ZINC001573879925 950735346 /nfs/dbraw/zinc/73/53/46/950735346.db2.gz OTDSSMXSGNGXPF-KOLCDFICSA-N -1 1 392.485 1.977 20 0 GDADMM CC(C)(C)c1cc(NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)c(-c2nn[n-]n2)s1 ZINC001573879925 950735363 /nfs/dbraw/zinc/73/53/63/950735363.db2.gz OTDSSMXSGNGXPF-KOLCDFICSA-N -1 1 392.485 1.977 20 0 GDADMM C[C@H](CN(C)C(=O)c1cnn(C(C)(C)C)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574763851 950735656 /nfs/dbraw/zinc/73/56/56/950735656.db2.gz MIKQFKQEFQBSKA-LLVKDONJSA-N -1 1 384.448 1.181 20 0 GDADMM C[C@H](CN(C)C(=O)c1cnn(C(C)(C)C)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574763851 950735675 /nfs/dbraw/zinc/73/56/75/950735675.db2.gz MIKQFKQEFQBSKA-LLVKDONJSA-N -1 1 384.448 1.181 20 0 GDADMM CC1(C)CC(C(=O)N[C@@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C23CCC3)C1 ZINC001575629364 950736580 /nfs/dbraw/zinc/73/65/80/950736580.db2.gz NDPHDVNATVOZAV-UONOGXRCSA-N -1 1 382.472 1.932 20 0 GDADMM CC1(C)CC(C(=O)N[C@@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C23CCC3)C1 ZINC001575629364 950736593 /nfs/dbraw/zinc/73/65/93/950736593.db2.gz NDPHDVNATVOZAV-UONOGXRCSA-N -1 1 382.472 1.932 20 0 GDADMM CC(C)n1ccc(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@@H]2C)n1 ZINC001575927207 950739117 /nfs/dbraw/zinc/73/91/17/950739117.db2.gz OFDCOJKCTULHJL-RYUDHWBXSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1ccc(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@@H]2C)n1 ZINC001575927207 950739132 /nfs/dbraw/zinc/73/91/32/950739132.db2.gz OFDCOJKCTULHJL-RYUDHWBXSA-N -1 1 382.432 1.149 20 0 GDADMM CC1(C)CC(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575629398 950739791 /nfs/dbraw/zinc/73/97/91/950739791.db2.gz OCOWEYQREUGRHJ-AGUYFDCRSA-N -1 1 382.472 1.709 20 0 GDADMM CC1(C)CC(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575629398 950739806 /nfs/dbraw/zinc/73/98/06/950739806.db2.gz OCOWEYQREUGRHJ-AGUYFDCRSA-N -1 1 382.472 1.709 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cc2c([nH]1)CCC2 ZINC001575927319 950740901 /nfs/dbraw/zinc/74/09/01/950740901.db2.gz PAJYICPBSARIIB-JQWIXIFHSA-N -1 1 379.428 1.189 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cc2c([nH]1)CCC2 ZINC001575927319 950740913 /nfs/dbraw/zinc/74/09/13/950740913.db2.gz PAJYICPBSARIIB-JQWIXIFHSA-N -1 1 379.428 1.189 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576217399 950759536 /nfs/dbraw/zinc/75/95/36/950759536.db2.gz HLCMMPIJTSNKHS-MNOVXSKESA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576217399 950759546 /nfs/dbraw/zinc/75/95/46/950759546.db2.gz HLCMMPIJTSNKHS-MNOVXSKESA-N -1 1 392.414 1.599 20 0 GDADMM CC(C)c1nc(C(=O)N(C)C[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)cs1 ZINC001574764954 950764935 /nfs/dbraw/zinc/76/49/35/950764935.db2.gz ANIMDDZAULHLHG-JTQLQIEISA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)c1nc(C(=O)N(C)C[C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)cs1 ZINC001574764954 950764951 /nfs/dbraw/zinc/76/49/51/950764951.db2.gz ANIMDDZAULHLHG-JTQLQIEISA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)(C)c1ccccc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573884005 950778382 /nfs/dbraw/zinc/77/83/82/950778382.db2.gz BZJLGPZWKLKBCZ-ZDUSSCGKSA-N -1 1 392.467 1.703 20 0 GDADMM C[C@H]1[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCN1C(=O)c1ncccn1 ZINC001575931099 950799354 /nfs/dbraw/zinc/79/93/54/950799354.db2.gz GTZMIBQFBAJFMP-YUMQZZPRSA-N -1 1 391.848 1.482 20 0 GDADMM CC1(C)CC(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575632526 950799577 /nfs/dbraw/zinc/79/95/77/950799577.db2.gz LCGBBMLEUHYGKL-MCIONIFRSA-N -1 1 382.472 1.709 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(C)(F)F)CC2)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576219500 950801752 /nfs/dbraw/zinc/80/17/52/950801752.db2.gz OBKGSJFCTQKOEY-QWRGUYRKSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(C)(F)F)CC2)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576219500 950801770 /nfs/dbraw/zinc/80/17/70/950801770.db2.gz OBKGSJFCTQKOEY-QWRGUYRKSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ncc(Cl)s1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574766125 950804793 /nfs/dbraw/zinc/80/47/93/950804793.db2.gz JYYPFHDKOHRNHY-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ncc(Cl)s1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574766125 950804800 /nfs/dbraw/zinc/80/48/00/950804800.db2.gz JYYPFHDKOHRNHY-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM CC1(C)CC(CC(=O)NCC[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001575633081 950809248 /nfs/dbraw/zinc/80/92/48/950809248.db2.gz PXRNZDKYTJOCIM-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C)CC(CC(=O)NCC[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001575633081 950809264 /nfs/dbraw/zinc/80/92/64/950809264.db2.gz PXRNZDKYTJOCIM-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C)CC(CC(=O)NC2(C)CCN(c3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001575634111 950825823 /nfs/dbraw/zinc/82/58/23/950825823.db2.gz ZPCCFIVXUZTKKJ-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CC(CC(=O)NC2(C)CCN(c3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001575634111 950825843 /nfs/dbraw/zinc/82/58/43/950825843.db2.gz ZPCCFIVXUZTKKJ-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)C[C@@H](NC(=O)[C@H]2CC23CC3)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575638465 950833093 /nfs/dbraw/zinc/83/30/93/950833093.db2.gz DMZAPHWRBZQDBF-QWHCGFSZSA-N -1 1 382.472 1.568 20 0 GDADMM CC1(C)C[C@@H](NC(=O)[C@H]2CC23CC3)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575638465 950833118 /nfs/dbraw/zinc/83/31/18/950833118.db2.gz DMZAPHWRBZQDBF-QWHCGFSZSA-N -1 1 382.472 1.568 20 0 GDADMM CC(C)(C)c1nc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)co1 ZINC001573885987 950839536 /nfs/dbraw/zinc/83/95/36/950839536.db2.gz ZRWCHMGIUGCGNI-MGCOHNPYSA-N -1 1 383.416 1.315 20 0 GDADMM CC(C)(C)c1nc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)co1 ZINC001573885987 950839561 /nfs/dbraw/zinc/83/95/61/950839561.db2.gz ZRWCHMGIUGCGNI-MGCOHNPYSA-N -1 1 383.416 1.315 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)C(C)(C)C2(C)C)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576221128 950848411 /nfs/dbraw/zinc/84/84/11/950848411.db2.gz SZOYWPNZZUQTRX-YPMHNXCESA-N -1 1 384.488 1.988 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)C(C)(C)C2(C)C)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576221128 950848431 /nfs/dbraw/zinc/84/84/31/950848431.db2.gz SZOYWPNZZUQTRX-YPMHNXCESA-N -1 1 384.488 1.988 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)n1 ZINC001573887682 950852266 /nfs/dbraw/zinc/85/22/66/950852266.db2.gz ILVFUCJACFEWBY-LLVKDONJSA-N -1 1 386.460 1.548 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)n1 ZINC001573887682 950852291 /nfs/dbraw/zinc/85/22/91/950852291.db2.gz ILVFUCJACFEWBY-LLVKDONJSA-N -1 1 386.460 1.548 20 0 GDADMM C[C@@H](CN(C)C(=O)c1coc(CC2CC2)n1)Nc1nccnc1-c1nnn[n-]1 ZINC001574767628 950857730 /nfs/dbraw/zinc/85/77/30/950857730.db2.gz UEQGTNPJVZRRLJ-JTQLQIEISA-N -1 1 383.416 1.170 20 0 GDADMM C[C@@H](CN(C)C(=O)c1coc(CC2CC2)n1)Nc1nccnc1-c1nn[n-]n1 ZINC001574767628 950857755 /nfs/dbraw/zinc/85/77/55/950857755.db2.gz UEQGTNPJVZRRLJ-JTQLQIEISA-N -1 1 383.416 1.170 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CCCC2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576222075 950861605 /nfs/dbraw/zinc/86/16/05/950861605.db2.gz XGFPMCBQVQOELM-ZYHUDNBSSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CCCC2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576222075 950861618 /nfs/dbraw/zinc/86/16/18/950861618.db2.gz XGFPMCBQVQOELM-ZYHUDNBSSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H](CN(C)C(=O)c1csc(Cl)n1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574767991 950878801 /nfs/dbraw/zinc/87/88/01/950878801.db2.gz WSSUELAAWSSEHQ-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CN(C)C(=O)c1csc(Cl)n1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574767991 950878811 /nfs/dbraw/zinc/87/88/11/950878811.db2.gz WSSUELAAWSSEHQ-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cc(F)ccc1F ZINC001575935365 950878829 /nfs/dbraw/zinc/87/88/29/950878829.db2.gz VTPSGKHLUFFZOJ-NOZJJQNGSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(F)ccc1F ZINC001575935365 950878856 /nfs/dbraw/zinc/87/88/56/950878856.db2.gz VTPSGKHLUFFZOJ-NOZJJQNGSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@@H]1CN(C(=O)C2Cc3ccccc3C2)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576226428 950882050 /nfs/dbraw/zinc/88/20/50/950882050.db2.gz BHFPFROURKDOQU-PXAZEXFGSA-N -1 1 390.451 1.331 20 0 GDADMM C[C@@H]1CN(C(=O)C2Cc3ccccc3C2)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576226428 950882070 /nfs/dbraw/zinc/88/20/70/950882070.db2.gz BHFPFROURKDOQU-PXAZEXFGSA-N -1 1 390.451 1.331 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cnc(C2CC2)o1 ZINC001575935937 950902577 /nfs/dbraw/zinc/90/25/77/950902577.db2.gz CGHQFDHYLFRGBI-GXSJLCMTSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cnc(C2CC2)o1 ZINC001575935937 950902589 /nfs/dbraw/zinc/90/25/89/950902589.db2.gz CGHQFDHYLFRGBI-GXSJLCMTSA-N -1 1 381.400 1.237 20 0 GDADMM CC(C)(CC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001573895667 950941597 /nfs/dbraw/zinc/94/15/97/950941597.db2.gz DVQSHNUZYJKSSL-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(CC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001573895667 950941614 /nfs/dbraw/zinc/94/16/14/950941614.db2.gz DVQSHNUZYJKSSL-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1 ZINC001573896870 950952540 /nfs/dbraw/zinc/95/25/40/950952540.db2.gz KSADVPUWUGFXSA-OAHLLOKOSA-N -1 1 392.467 1.720 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1 ZINC001573896870 950952553 /nfs/dbraw/zinc/95/25/53/950952553.db2.gz KSADVPUWUGFXSA-OAHLLOKOSA-N -1 1 392.467 1.720 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1)C1CC1 ZINC001573897311 950959296 /nfs/dbraw/zinc/95/92/96/950959296.db2.gz OEVFTVNYROMTIU-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1)C1CC1 ZINC001573897311 950959320 /nfs/dbraw/zinc/95/93/20/950959320.db2.gz OEVFTVNYROMTIU-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(CC(=O)NC[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CC1 ZINC001573897788 950964608 /nfs/dbraw/zinc/96/46/08/950964608.db2.gz SIKVTPJDMVUUQM-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(CC(=O)NC[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CC1 ZINC001573897788 950964630 /nfs/dbraw/zinc/96/46/30/950964630.db2.gz SIKVTPJDMVUUQM-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C)C[C@H]1C(=O)N1CCC2(C1)CCN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001575644338 950983067 /nfs/dbraw/zinc/98/30/67/950983067.db2.gz SRJCDSRXHIFPPS-ZDUSSCGKSA-N -1 1 382.472 1.522 20 0 GDADMM CC(C)c1ccc(C(=O)NC[C@@H](C)Nc2nccnc2-c2nnn[n-]2)c(=O)[nH]1 ZINC001575017662 951009450 /nfs/dbraw/zinc/00/94/50/951009450.db2.gz ILBFVUUSQJRPII-SNVBAGLBSA-N -1 1 383.416 1.111 20 0 GDADMM CC(C)c1ccc(C(=O)NC[C@@H](C)Nc2nccnc2-c2nn[n-]n2)c(=O)[nH]1 ZINC001575017662 951009469 /nfs/dbraw/zinc/00/94/69/951009469.db2.gz ILBFVUUSQJRPII-SNVBAGLBSA-N -1 1 383.416 1.111 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)c(Cl)c1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575021176 951059282 /nfs/dbraw/zinc/05/92/82/951059282.db2.gz BMHDEYPCEUZOAC-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)c(Cl)c1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575021176 951059298 /nfs/dbraw/zinc/05/92/98/951059298.db2.gz BMHDEYPCEUZOAC-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)cc1F)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575022776 951072958 /nfs/dbraw/zinc/07/29/58/951072958.db2.gz JFKXVXSMLBWBIT-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)cc1F)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575022776 951072968 /nfs/dbraw/zinc/07/29/68/951072968.db2.gz JFKXVXSMLBWBIT-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM CC(C)Oc1ccc(C(=O)NC[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)nc1 ZINC001575024326 951099763 /nfs/dbraw/zinc/09/97/63/951099763.db2.gz AXLNRCFRNJOUGN-NSHDSACASA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1ccc(C(=O)NC[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)nc1 ZINC001575024326 951099778 /nfs/dbraw/zinc/09/97/78/951099778.db2.gz AXLNRCFRNJOUGN-NSHDSACASA-N -1 1 383.416 1.069 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)C[C@@H](C)O2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575024480 951103992 /nfs/dbraw/zinc/10/39/92/951103992.db2.gz FMJBVFAKJHGRAC-WDEREUQCSA-N -1 1 380.412 1.211 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)C[C@@H](C)O2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575024480 951104003 /nfs/dbraw/zinc/10/40/03/951104003.db2.gz FMJBVFAKJHGRAC-WDEREUQCSA-N -1 1 380.412 1.211 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCC=C2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575024784 951115306 /nfs/dbraw/zinc/11/53/06/951115306.db2.gz MOTTYNVOBCQFEG-LBPRGKRZSA-N -1 1 376.424 1.268 20 0 GDADMM CC(C)c1ccccc1C(=O)NC[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575028944 951179304 /nfs/dbraw/zinc/17/93/04/951179304.db2.gz QBMJPGDKBUSVCW-CYBMUJFWSA-N -1 1 380.456 1.680 20 0 GDADMM C[C@H](CNC(=O)c1cccc(C(F)F)c1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575029098 951184346 /nfs/dbraw/zinc/18/43/46/951184346.db2.gz ZINGLRHWJNBOLF-SNVBAGLBSA-N -1 1 388.382 1.849 20 0 GDADMM C[C@H](CNC(=O)c1cccc(C(F)F)c1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575029098 951184354 /nfs/dbraw/zinc/18/43/54/951184354.db2.gz ZINGLRHWJNBOLF-SNVBAGLBSA-N -1 1 388.382 1.849 20 0 GDADMM C[C@@H](CNC(=O)c1cccnc1C(F)F)Nc1nccnc1-c1nnn[n-]1 ZINC001575031585 951198000 /nfs/dbraw/zinc/19/80/00/951198000.db2.gz DVGTTZYZZUBSSO-QMMMGPOBSA-N -1 1 375.343 1.220 20 0 GDADMM C[C@@H](CNC(=O)c1cccnc1C(F)F)Nc1nccnc1-c1nn[n-]n1 ZINC001575031585 951198008 /nfs/dbraw/zinc/19/80/08/951198008.db2.gz DVGTTZYZZUBSSO-QMMMGPOBSA-N -1 1 375.343 1.220 20 0 GDADMM C[C@@H](CNC(=O)c1cccnc1C(F)F)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575031737 951201571 /nfs/dbraw/zinc/20/15/71/951201571.db2.gz HXENTQCPAVYGOW-VIFPVBQESA-N -1 1 389.370 1.244 20 0 GDADMM C[C@@H](CNC(=O)c1cccnc1C(F)F)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575031737 951201585 /nfs/dbraw/zinc/20/15/85/951201585.db2.gz HXENTQCPAVYGOW-VIFPVBQESA-N -1 1 389.370 1.244 20 0 GDADMM O=C([O-])CC[C@H]1CCCN(C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC001595013141 951276952 /nfs/dbraw/zinc/27/69/52/951276952.db2.gz YBEYCRBHPUDXNM-GFCCVEGCSA-N -1 1 375.450 1.789 20 0 GDADMM C[C@@H](CNC(=O)c1ccn(C)c1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001575036847 951301093 /nfs/dbraw/zinc/30/10/93/951301093.db2.gz XPCAKAOYLPVWIP-QMMMGPOBSA-N -1 1 380.865 1.570 20 0 GDADMM C[C@@H](CNC(=O)c1ccn(C)c1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001575036847 951301103 /nfs/dbraw/zinc/30/11/03/951301103.db2.gz XPCAKAOYLPVWIP-QMMMGPOBSA-N -1 1 380.865 1.570 20 0 GDADMM C[C@@H](CNC(=O)c1ccsc1C(F)F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575037660 951307964 /nfs/dbraw/zinc/30/79/64/951307964.db2.gz CJBADSJVVBTIAG-ZETCQYMHSA-N -1 1 380.384 1.886 20 0 GDADMM C[C@@H](CNC(=O)c1ccsc1C(F)F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575037660 951307978 /nfs/dbraw/zinc/30/79/78/951307978.db2.gz CJBADSJVVBTIAG-ZETCQYMHSA-N -1 1 380.384 1.886 20 0 GDADMM CC(C)c1ncncc1C(=O)NC[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001575045415 951428262 /nfs/dbraw/zinc/42/82/62/951428262.db2.gz BYPGWVPYEREKAD-NSHDSACASA-N -1 1 382.432 1.048 20 0 GDADMM CC(C)c1ncncc1C(=O)NC[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001575045415 951428270 /nfs/dbraw/zinc/42/82/70/951428270.db2.gz BYPGWVPYEREKAD-NSHDSACASA-N -1 1 382.432 1.048 20 0 GDADMM C[C@@H](CNC(=O)c1cncc(F)c1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001575046637 951442520 /nfs/dbraw/zinc/44/25/20/951442520.db2.gz QATJKDRHWBVQIL-LURJTMIESA-N -1 1 382.812 1.741 20 0 GDADMM C[C@@H](CNC(=O)c1cncc(F)c1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575046637 951442525 /nfs/dbraw/zinc/44/25/25/951442525.db2.gz QATJKDRHWBVQIL-LURJTMIESA-N -1 1 382.812 1.741 20 0 GDADMM C[C@@H](CNC(=O)c1coc(CC2CC2)n1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575056681 951523518 /nfs/dbraw/zinc/52/35/18/951523518.db2.gz LHBVLOOPUVCWSS-SNVBAGLBSA-N -1 1 383.416 1.075 20 0 GDADMM C[C@@H](CNC(=O)c1coc(CC2CC2)n1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575056681 951523524 /nfs/dbraw/zinc/52/35/24/951523524.db2.gz LHBVLOOPUVCWSS-SNVBAGLBSA-N -1 1 383.416 1.075 20 0 GDADMM C[C@H](CNC(=O)c1csc(Cl)n1)CNc1nccnc1-c1nnn[n-]1 ZINC001575060659 951544541 /nfs/dbraw/zinc/54/45/41/951544541.db2.gz CFBGOUDFSQQHGM-ZETCQYMHSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@H](CNC(=O)c1csc(Cl)n1)CNc1nccnc1-c1nn[n-]n1 ZINC001575060659 951544551 /nfs/dbraw/zinc/54/45/51/951544551.db2.gz CFBGOUDFSQQHGM-ZETCQYMHSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@H](CNC(=O)c1csc(Cl)n1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575060796 951547308 /nfs/dbraw/zinc/54/73/08/951547308.db2.gz GTCLXXMRSOFSFJ-SSDOTTSWSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@@H](CNC(=O)c1nccs1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575065243 951580845 /nfs/dbraw/zinc/58/08/45/951580845.db2.gz AJVQSXGAVTXZAS-LURJTMIESA-N -1 1 384.878 1.911 20 0 GDADMM C[C@@H](CNC(=O)c1nccs1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575065243 951580848 /nfs/dbraw/zinc/58/08/48/951580848.db2.gz AJVQSXGAVTXZAS-LURJTMIESA-N -1 1 384.878 1.911 20 0 GDADMM C[C@@H](CNC(=O)c1ncccn1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575066008 951592525 /nfs/dbraw/zinc/59/25/25/951592525.db2.gz CZQNXGBFPHYPFT-ZETCQYMHSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1ncccn1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575066008 951592534 /nfs/dbraw/zinc/59/25/34/951592534.db2.gz CZQNXGBFPHYPFT-ZETCQYMHSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@H](CNC(=O)c1noc2c1CCCC2)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575066476 951598073 /nfs/dbraw/zinc/59/80/73/951598073.db2.gz MMXNZAYEPKLZFC-JTQLQIEISA-N -1 1 383.416 1.002 20 0 GDADMM C[C@H](CNC(=O)c1noc2c1CCCC2)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575066476 951598081 /nfs/dbraw/zinc/59/80/81/951598081.db2.gz MMXNZAYEPKLZFC-JTQLQIEISA-N -1 1 383.416 1.002 20 0 GDADMM C[C@H](CNC(=O)c1ncoc1C(C)(C)C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575067962 951628383 /nfs/dbraw/zinc/62/83/83/951628383.db2.gz TVIUSLLVMZKFNC-JTQLQIEISA-N -1 1 385.432 1.420 20 0 GDADMM C[C@H](CNC(=O)c1ncoc1C(C)(C)C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575067962 951628386 /nfs/dbraw/zinc/62/83/86/951628386.db2.gz TVIUSLLVMZKFNC-JTQLQIEISA-N -1 1 385.432 1.420 20 0 GDADMM C[C@H](CNC(=O)c1ncccc1F)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575068319 951634446 /nfs/dbraw/zinc/63/44/46/951634446.db2.gz ZVGHDYMNGCSWRC-ZCFIWIBFSA-N -1 1 382.812 1.741 20 0 GDADMM C[C@H](CNC(=O)c1ncccc1F)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575068319 951634456 /nfs/dbraw/zinc/63/44/56/951634456.db2.gz ZVGHDYMNGCSWRC-ZCFIWIBFSA-N -1 1 382.812 1.741 20 0 GDADMM C[C@H](CNC(=O)c1sccc1C1CC1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575070162 951648307 /nfs/dbraw/zinc/64/83/07/951648307.db2.gz OMTGRNIVMOIQTK-SNVBAGLBSA-N -1 1 384.469 1.850 20 0 GDADMM C[C@H](CNC(=O)c1sccc1C1CC1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575070162 951648315 /nfs/dbraw/zinc/64/83/15/951648315.db2.gz OMTGRNIVMOIQTK-SNVBAGLBSA-N -1 1 384.469 1.850 20 0 GDADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)CCn1cccc1)C1CC1 ZINC001575127950 952061976 /nfs/dbraw/zinc/06/19/76/952061976.db2.gz DQMIYGHPLFMQHL-GOSISDBHSA-N -1 1 381.444 1.245 20 0 GDADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)CCn1cccc1)C1CC1 ZINC001575127950 952061983 /nfs/dbraw/zinc/06/19/83/952061983.db2.gz DQMIYGHPLFMQHL-GOSISDBHSA-N -1 1 381.444 1.245 20 0 GDADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)C1CC(F)(F)C1)C1CC1 ZINC001575128603 952067854 /nfs/dbraw/zinc/06/78/54/952067854.db2.gz JWWOHHUMBIRTIY-OAHLLOKOSA-N -1 1 378.387 1.399 20 0 GDADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)C1CC(F)(F)C1)C1CC1 ZINC001575128603 952067862 /nfs/dbraw/zinc/06/78/62/952067862.db2.gz JWWOHHUMBIRTIY-OAHLLOKOSA-N -1 1 378.387 1.399 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ccc(C(F)F)o1 ZINC001575135310 952117211 /nfs/dbraw/zinc/11/72/11/952117211.db2.gz QJRJRAUAROAGPF-MRVPVSSYSA-N -1 1 378.343 1.760 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ccc(C(F)F)o1 ZINC001575135310 952117218 /nfs/dbraw/zinc/11/72/18/952117218.db2.gz QJRJRAUAROAGPF-MRVPVSSYSA-N -1 1 378.343 1.760 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cc2c(s1)CCC2 ZINC001575136832 952129509 /nfs/dbraw/zinc/12/95/09/952129509.db2.gz XOIZFAZRGSMDRU-JTQLQIEISA-N -1 1 384.469 1.780 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cc2c(s1)CCC2 ZINC001575136832 952129515 /nfs/dbraw/zinc/12/95/15/952129515.db2.gz XOIZFAZRGSMDRU-JTQLQIEISA-N -1 1 384.469 1.780 20 0 GDADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)c1ccccc1F)C1CC1 ZINC001575139662 952140828 /nfs/dbraw/zinc/14/08/28/952140828.db2.gz AAHRAGSZFYMNER-GOSISDBHSA-N -1 1 382.403 1.228 20 0 GDADMM O=C([O-])Cn1cccc(C(=O)N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)c1=O ZINC001595153543 952151909 /nfs/dbraw/zinc/15/19/09/952151909.db2.gz AWUSFIPBMOWNFN-UHFFFAOYSA-N -1 1 398.341 1.695 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cccc(C2CC2)c1 ZINC001575144065 952161354 /nfs/dbraw/zinc/16/13/54/952161354.db2.gz FVZRKUTXDWEUNY-GFCCVEGCSA-N -1 1 378.440 1.529 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCCCC1(F)F ZINC001575144906 952174548 /nfs/dbraw/zinc/17/45/48/952174548.db2.gz ZCVMMVFSWSNRJL-WDEREUQCSA-N -1 1 380.403 1.163 20 0 GDADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)c1sccc1F)C1CC1 ZINC001575144943 952176130 /nfs/dbraw/zinc/17/61/30/952176130.db2.gz ZLPPYFDXUHECMB-INIZCTEOSA-N -1 1 388.432 1.290 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1CCCC(F)(F)C1 ZINC001575153950 952215284 /nfs/dbraw/zinc/21/52/84/952215284.db2.gz MNZHLJROIQZTCJ-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1CCCC(F)(F)C1 ZINC001575153950 952215289 /nfs/dbraw/zinc/21/52/89/952215289.db2.gz MNZHLJROIQZTCJ-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)c1occc1Cl)C1CC1 ZINC001575154472 952223389 /nfs/dbraw/zinc/22/33/89/952223389.db2.gz DWSRSOWDDOUGEM-MRXNPFEDSA-N -1 1 388.819 1.914 20 0 GDADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)c1occc1Cl)C1CC1 ZINC001575154472 952223395 /nfs/dbraw/zinc/22/33/95/952223395.db2.gz DWSRSOWDDOUGEM-MRXNPFEDSA-N -1 1 388.819 1.914 20 0 GDADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)CCn1cccc1)C1CC1 ZINC001575155991 952246765 /nfs/dbraw/zinc/24/67/65/952246765.db2.gz QGKQHKNQDDOIOQ-GOSISDBHSA-N -1 1 381.444 1.245 20 0 GDADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)CCn1cccc1)C1CC1 ZINC001575155991 952246770 /nfs/dbraw/zinc/24/67/70/952246770.db2.gz QGKQHKNQDDOIOQ-GOSISDBHSA-N -1 1 381.444 1.245 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cccnc1C(F)F ZINC001575156165 952248687 /nfs/dbraw/zinc/24/86/87/952248687.db2.gz CWGLDOPEWYAFTD-VIFPVBQESA-N -1 1 389.370 1.562 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cccnc1C(F)F ZINC001575156165 952248691 /nfs/dbraw/zinc/24/86/91/952248691.db2.gz CWGLDOPEWYAFTD-VIFPVBQESA-N -1 1 389.370 1.562 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H]1CCc2ccccc2C1 ZINC001575156676 952256936 /nfs/dbraw/zinc/25/69/36/952256936.db2.gz HLVBLEAFEJICJP-BBRMVZONSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCc2ccccc2C1 ZINC001575156676 952256943 /nfs/dbraw/zinc/25/69/43/952256943.db2.gz HLVBLEAFEJICJP-BBRMVZONSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1ccsc1Cl ZINC001575158577 952272728 /nfs/dbraw/zinc/27/27/28/952272728.db2.gz WKLNTPBXNXOGQX-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccsc1Cl ZINC001575158577 952272734 /nfs/dbraw/zinc/27/27/34/952272734.db2.gz WKLNTPBXNXOGQX-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CCCC1CCOCC1 ZINC001575158901 952275289 /nfs/dbraw/zinc/27/52/89/952275289.db2.gz XGFXOHAYNQWZLD-ZDUSSCGKSA-N -1 1 388.476 1.512 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CCCC1CCOCC1 ZINC001575158901 952275293 /nfs/dbraw/zinc/27/52/93/952275293.db2.gz XGFXOHAYNQWZLD-ZDUSSCGKSA-N -1 1 388.476 1.512 20 0 GDADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)c1csnn1 ZINC001575165046 952302243 /nfs/dbraw/zinc/30/22/43/952302243.db2.gz JXVILSDYQRRLLT-YFKPBYRVSA-N -1 1 385.866 1.401 20 0 GDADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)c1ccn(C)n1 ZINC001575166529 952325203 /nfs/dbraw/zinc/32/52/03/952325203.db2.gz XFWSTBCCUXMDGW-ZETCQYMHSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)C1=COCCO1 ZINC001575166413 952325854 /nfs/dbraw/zinc/32/58/54/952325854.db2.gz VYZXCQNPKHVGBI-SSDOTTSWSA-N -1 1 385.837 1.124 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)c1ncccn1 ZINC001575166535 952325871 /nfs/dbraw/zinc/32/58/71/952325871.db2.gz XHURNVALGNIAFD-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)c1ncccn1 ZINC001575166535 952325880 /nfs/dbraw/zinc/32/58/80/952325880.db2.gz XHURNVALGNIAFD-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)C1CC2(CCC2)C1)C1CC1 ZINC001575173905 952360728 /nfs/dbraw/zinc/36/07/28/952360728.db2.gz CSGOACLNRZHUPK-SFHVURJKSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)C1CC2(CCC2)C1)C1CC1 ZINC001575173905 952360735 /nfs/dbraw/zinc/36/07/35/952360735.db2.gz CSGOACLNRZHUPK-SFHVURJKSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)[C@]1(C)CCOC1 ZINC001575174665 952376825 /nfs/dbraw/zinc/37/68/25/952376825.db2.gz BWGIPUPNQULAGO-XLKFXECMSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)[C@]1(C)CCOC1 ZINC001575174665 952376831 /nfs/dbraw/zinc/37/68/31/952376831.db2.gz BWGIPUPNQULAGO-XLKFXECMSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N(C)C1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575187926 952444765 /nfs/dbraw/zinc/44/47/65/952444765.db2.gz FNRUPMAGLTWBHZ-PNESKVBLSA-N -1 1 382.428 1.530 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N(C)C1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575187926 952444772 /nfs/dbraw/zinc/44/47/72/952444772.db2.gz FNRUPMAGLTWBHZ-PNESKVBLSA-N -1 1 382.428 1.530 20 0 GDADMM C[C@H](Cc1cccc(F)c1)C(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001575187942 952445507 /nfs/dbraw/zinc/44/55/07/952445507.db2.gz FZEAXARUJVNBLL-GFCCVEGCSA-N -1 1 384.419 1.545 20 0 GDADMM C[C@H](Cc1cccc(F)c1)C(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001575187942 952445511 /nfs/dbraw/zinc/44/55/11/952445511.db2.gz FZEAXARUJVNBLL-GFCCVEGCSA-N -1 1 384.419 1.545 20 0 GDADMM C[C@H](Cc1ccccc1F)C(=O)N[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575189808 952459352 /nfs/dbraw/zinc/45/93/52/952459352.db2.gz QUFMRLSIALYMBX-NEPJUHHUSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@H](Cc1ccccc1F)C(=O)N[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575189808 952459353 /nfs/dbraw/zinc/45/93/53/952459353.db2.gz QUFMRLSIALYMBX-NEPJUHHUSA-N -1 1 384.419 1.591 20 0 GDADMM O=C(NCc1ccnc(-c2nn[nH]n2)c1)c1ccc(Br)cc1[O-] ZINC001571114758 952460501 /nfs/dbraw/zinc/46/05/01/952460501.db2.gz NXZNAGLTMVBWNI-UHFFFAOYSA-N -1 1 375.186 1.660 20 0 GDADMM C[C@H](Cc1cccc(F)c1)C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575191980 952470602 /nfs/dbraw/zinc/47/06/02/952470602.db2.gz ZYHWDGHAQQQREJ-GFCCVEGCSA-N -1 1 384.419 1.227 20 0 GDADMM C[C@H](Cc1cccc(F)c1)C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575191980 952470608 /nfs/dbraw/zinc/47/06/08/952470608.db2.gz ZYHWDGHAQQQREJ-GFCCVEGCSA-N -1 1 384.419 1.227 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575196168 952473874 /nfs/dbraw/zinc/47/38/74/952473874.db2.gz DXYWCWUFLAPUTO-OLZOCXBDSA-N -1 1 382.428 1.071 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575196168 952473876 /nfs/dbraw/zinc/47/38/76/952473876.db2.gz DXYWCWUFLAPUTO-OLZOCXBDSA-N -1 1 382.428 1.071 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575196164 952474425 /nfs/dbraw/zinc/47/44/25/952474425.db2.gz DWZIDVDFGIIPLU-STQMWFEESA-N -1 1 382.428 1.214 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575196164 952474428 /nfs/dbraw/zinc/47/44/28/952474428.db2.gz DWZIDVDFGIIPLU-STQMWFEESA-N -1 1 382.428 1.214 20 0 GDADMM Cc1nsc(N[C@H]2C[C@H](CNC(=O)C3=CCOCC3)C2)c1-c1nn[n-]n1 ZINC001571117045 952479644 /nfs/dbraw/zinc/47/96/44/952479644.db2.gz GJTXJTFHFFSGKO-UMSPYCQHSA-N -1 1 375.458 1.285 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575197303 952481989 /nfs/dbraw/zinc/48/19/89/952481989.db2.gz SJTAMNXSWBMUQB-CHWSQXEVSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)s1)[C@@H](O)c1cccc(F)c1 ZINC001571119587 952494603 /nfs/dbraw/zinc/49/46/03/952494603.db2.gz DDFGBOMDSJNRFP-LKFCYVNXSA-N -1 1 376.417 1.989 20 0 GDADMM O=C(CCc1ccccc1)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1 ZINC001571120933 952511793 /nfs/dbraw/zinc/51/17/93/952511793.db2.gz UNOZMKFKIZCYLC-GJZGRUSLSA-N -1 1 376.424 1.079 20 0 GDADMM O=C(CCc1ccccc1)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1 ZINC001571120933 952511799 /nfs/dbraw/zinc/51/17/99/952511799.db2.gz UNOZMKFKIZCYLC-GJZGRUSLSA-N -1 1 376.424 1.079 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCC2(C3(O)CCC3)CC2)cc1-c1nn[n-]n1 ZINC001571121914 952521734 /nfs/dbraw/zinc/52/17/34/952521734.db2.gz DXQCZFOSYHXKAK-UHFFFAOYSA-N -1 1 376.442 1.114 20 0 GDADMM C[C@@H]1COCC[C@@H]1C(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571123358 952528723 /nfs/dbraw/zinc/52/87/23/952528723.db2.gz QNIUKUDBTMYZDW-RISCZKNCSA-N -1 1 376.486 1.243 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CC[C@@H]1CC(C)(C)CO1 ZINC001571123492 952530707 /nfs/dbraw/zinc/53/07/07/952530707.db2.gz SLJMJAUZSIIUOL-LLVKDONJSA-N -1 1 376.465 1.158 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CC[C@@H]1CC(C)(C)CO1 ZINC001571123492 952530713 /nfs/dbraw/zinc/53/07/13/952530713.db2.gz SLJMJAUZSIIUOL-LLVKDONJSA-N -1 1 376.465 1.158 20 0 GDADMM O=C(c1ncc(Cl)s1)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571128730 952569807 /nfs/dbraw/zinc/56/98/07/952569807.db2.gz XFIPOCACFKASPM-ZETCQYMHSA-N -1 1 377.821 1.093 20 0 GDADMM O=C(c1ncc(Cl)s1)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571128730 952569808 /nfs/dbraw/zinc/56/98/08/952569808.db2.gz XFIPOCACFKASPM-ZETCQYMHSA-N -1 1 377.821 1.093 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001571129239 952574080 /nfs/dbraw/zinc/57/40/80/952574080.db2.gz BODJMBVIDXKHDJ-CMPLNLGQSA-N -1 1 378.387 1.129 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001571129239 952574084 /nfs/dbraw/zinc/57/40/84/952574084.db2.gz BODJMBVIDXKHDJ-CMPLNLGQSA-N -1 1 378.387 1.129 20 0 GDADMM Cc1ccc(C)c(C(=O)N[C@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)c1 ZINC001571134074 952585350 /nfs/dbraw/zinc/58/53/50/952585350.db2.gz DDUHUSSHAUAXNU-AWEZNQCLSA-N -1 1 378.440 1.591 20 0 GDADMM Cc1ccc(C)c(C(=O)N[C@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)c1 ZINC001571134074 952585352 /nfs/dbraw/zinc/58/53/52/952585352.db2.gz DDUHUSSHAUAXNU-AWEZNQCLSA-N -1 1 378.440 1.591 20 0 GDADMM CCc1ccccc1C(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571134229 952587278 /nfs/dbraw/zinc/58/72/78/952587278.db2.gz CNMLWHCGENDCDL-CQSZACIVSA-N -1 1 378.440 1.936 20 0 GDADMM CCc1ccccc1C(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571134229 952587281 /nfs/dbraw/zinc/58/72/81/952587281.db2.gz CNMLWHCGENDCDL-CQSZACIVSA-N -1 1 378.440 1.936 20 0 GDADMM Cc1cccc(C(=O)N2C[C@@H](CNc3cncc(-c4nnn[n-]4)n3)[C@H](C)C2)c1 ZINC001571134265 952588382 /nfs/dbraw/zinc/58/83/82/952588382.db2.gz GSBNRFJWJBAMMU-UKRRQHHQSA-N -1 1 378.440 1.785 20 0 GDADMM Cc1cccc(C(=O)N2C[C@@H](CNc3cncc(-c4nn[n-]n4)n3)[C@H](C)C2)c1 ZINC001571134265 952588385 /nfs/dbraw/zinc/58/83/85/952588385.db2.gz GSBNRFJWJBAMMU-UKRRQHHQSA-N -1 1 378.440 1.785 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@@H]2C)c1C ZINC001571134485 952590957 /nfs/dbraw/zinc/59/09/57/952590957.db2.gz IWNSSHQQOGVYGX-DZGCQCFKSA-N -1 1 378.440 1.989 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@@H]2C)c1C ZINC001571134485 952590961 /nfs/dbraw/zinc/59/09/61/952590961.db2.gz IWNSSHQQOGVYGX-DZGCQCFKSA-N -1 1 378.440 1.989 20 0 GDADMM CCc1ccc(C(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C[C@@H]2C)cc1 ZINC001571134561 952591911 /nfs/dbraw/zinc/59/19/11/952591911.db2.gz GUZYXTVACBEYHO-SWLSCSKDSA-N -1 1 378.440 1.934 20 0 GDADMM CCc1ccc(C(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C[C@@H]2C)cc1 ZINC001571134561 952591917 /nfs/dbraw/zinc/59/19/17/952591917.db2.gz GUZYXTVACBEYHO-SWLSCSKDSA-N -1 1 378.440 1.934 20 0 GDADMM C[C@H]1CN(C(=O)Cc2ccccc2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571134577 952592676 /nfs/dbraw/zinc/59/26/76/952592676.db2.gz HGCPHJXSYFSMTJ-ZFWWWQNUSA-N -1 1 378.440 1.406 20 0 GDADMM C[C@H]1CN(C(=O)Cc2ccccc2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571134577 952592682 /nfs/dbraw/zinc/59/26/82/952592682.db2.gz HGCPHJXSYFSMTJ-ZFWWWQNUSA-N -1 1 378.440 1.406 20 0 GDADMM Cc1ccc(C)c(C(=O)N[C@H]2C[C@H](CNc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571134662 952593563 /nfs/dbraw/zinc/59/35/63/952593563.db2.gz LGUDOZHNLYYXPA-HDJSIYSDSA-N -1 1 378.440 1.894 20 0 GDADMM Cc1ccc(C)c(C(=O)N[C@H]2C[C@H](CNc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571134662 952593567 /nfs/dbraw/zinc/59/35/67/952593567.db2.gz LGUDOZHNLYYXPA-HDJSIYSDSA-N -1 1 378.440 1.894 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1)c1ccccc1 ZINC001571134720 952593739 /nfs/dbraw/zinc/59/37/39/952593739.db2.gz KLENOSJUYMYMRD-UKRRQHHQSA-N -1 1 378.440 1.863 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1)c1ccccc1 ZINC001571134720 952593742 /nfs/dbraw/zinc/59/37/42/952593742.db2.gz KLENOSJUYMYMRD-UKRRQHHQSA-N -1 1 378.440 1.863 20 0 GDADMM C[C@@H]1C[C@H]1C(=O)NCc1ccc(CCNc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001571134771 952594943 /nfs/dbraw/zinc/59/49/43/952594943.db2.gz LIPCECPQUJQZRK-IUODEOHRSA-N -1 1 378.440 1.584 20 0 GDADMM C[C@@H]1C[C@H]1C(=O)NCc1ccc(CCNc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001571134771 952594947 /nfs/dbraw/zinc/59/49/47/952594947.db2.gz LIPCECPQUJQZRK-IUODEOHRSA-N -1 1 378.440 1.584 20 0 GDADMM C[C@H]1C[C@@H]1C(=O)NCc1ccc(CCNc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001571134773 952595285 /nfs/dbraw/zinc/59/52/85/952595285.db2.gz LIPCECPQUJQZRK-WFASDCNBSA-N -1 1 378.440 1.584 20 0 GDADMM C[C@H]1C[C@@H]1C(=O)NCc1ccc(CCNc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001571134773 952595286 /nfs/dbraw/zinc/59/52/86/952595286.db2.gz LIPCECPQUJQZRK-WFASDCNBSA-N -1 1 378.440 1.584 20 0 GDADMM CCc1ccccc1C(=O)NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571135270 952601556 /nfs/dbraw/zinc/60/15/56/952601556.db2.gz SETKVVYYCGHODM-CYBMUJFWSA-N -1 1 378.440 1.475 20 0 GDADMM CCc1ccccc1C(=O)NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571135270 952601558 /nfs/dbraw/zinc/60/15/58/952601558.db2.gz SETKVVYYCGHODM-CYBMUJFWSA-N -1 1 378.440 1.475 20 0 GDADMM Cc1ccc(C(=O)N2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C[C@H]2C)cc1C ZINC001571135450 952604080 /nfs/dbraw/zinc/60/40/80/952604080.db2.gz XVWCQVDDTNMGQK-HIFRSBDPSA-N -1 1 378.440 1.989 20 0 GDADMM Cc1ccc(C(=O)N2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C[C@H]2C)cc1C ZINC001571135450 952604082 /nfs/dbraw/zinc/60/40/82/952604082.db2.gz XVWCQVDDTNMGQK-HIFRSBDPSA-N -1 1 378.440 1.989 20 0 GDADMM O=C(c1ccon1)N1C[C@@H]2C[C@H]1CN2c1snc(Cl)c1-c1nnn[n-]1 ZINC001571142257 952640082 /nfs/dbraw/zinc/64/00/82/952640082.db2.gz NLUVFIMWZDEYSI-BQBZGAKWSA-N -1 1 378.805 1.068 20 0 GDADMM O=C(c1ccon1)N1C[C@@H]2C[C@H]1CN2c1snc(Cl)c1-c1nn[n-]n1 ZINC001571142257 952640086 /nfs/dbraw/zinc/64/00/86/952640086.db2.gz NLUVFIMWZDEYSI-BQBZGAKWSA-N -1 1 378.805 1.068 20 0 GDADMM O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)c1ccc[nH]1 ZINC001571146678 952651336 /nfs/dbraw/zinc/65/13/36/952651336.db2.gz LIOWHKVVMHVNOE-CLLJXQQHSA-N -1 1 379.428 1.162 20 0 GDADMM O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)c1ccc[nH]1 ZINC001571146678 952651341 /nfs/dbraw/zinc/65/13/41/952651341.db2.gz LIOWHKVVMHVNOE-CLLJXQQHSA-N -1 1 379.428 1.162 20 0 GDADMM O=C(c1cc2c([nH]1)CCC2)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571146830 952653464 /nfs/dbraw/zinc/65/34/64/952653464.db2.gz NHRIOGYZOQYGHA-UHFFFAOYSA-N -1 1 379.428 1.190 20 0 GDADMM O=C(c1cc2c([nH]1)CCC2)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571146830 952653465 /nfs/dbraw/zinc/65/34/65/952653465.db2.gz NHRIOGYZOQYGHA-UHFFFAOYSA-N -1 1 379.428 1.190 20 0 GDADMM CCc1cccnc1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C ZINC001571147378 952660550 /nfs/dbraw/zinc/66/05/50/952660550.db2.gz LKCZTVQPKBNSSA-YPMHNXCESA-N -1 1 379.428 1.011 20 0 GDADMM CCc1cccnc1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C ZINC001571147378 952660553 /nfs/dbraw/zinc/66/05/53/952660553.db2.gz LKCZTVQPKBNSSA-YPMHNXCESA-N -1 1 379.428 1.011 20 0 GDADMM CCc1ccnc(C(=O)NC2CCN(c3nccnc3-c3nnn[n-]3)CC2)c1 ZINC001571147384 952660751 /nfs/dbraw/zinc/66/07/51/952660751.db2.gz LSQILLRLNLASIA-UHFFFAOYSA-N -1 1 379.428 1.013 20 0 GDADMM CCc1ccnc(C(=O)NC2CCN(c3nccnc3-c3nn[n-]n3)CC2)c1 ZINC001571147384 952660755 /nfs/dbraw/zinc/66/07/55/952660755.db2.gz LSQILLRLNLASIA-UHFFFAOYSA-N -1 1 379.428 1.013 20 0 GDADMM CCc1cccc(C(=O)N2CC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001571147831 952664507 /nfs/dbraw/zinc/66/45/07/952664507.db2.gz QVGMDZIOSDBWCG-GFCCVEGCSA-N -1 1 379.428 1.188 20 0 GDADMM CCc1cccc(C(=O)N2CC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001571147831 952664510 /nfs/dbraw/zinc/66/45/10/952664510.db2.gz QVGMDZIOSDBWCG-GFCCVEGCSA-N -1 1 379.428 1.188 20 0 GDADMM C[C@H]1C[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CN1C(=O)c1cn[nH]c1 ZINC001571152639 952683091 /nfs/dbraw/zinc/68/30/91/952683091.db2.gz IWJDPTCPKAETRE-POYBYMJQSA-N -1 1 379.837 1.415 20 0 GDADMM CC[C@H](OC)C(=O)N1CCC[C@@H](N(C)c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571152624 952683390 /nfs/dbraw/zinc/68/33/90/952683390.db2.gz IDMOYVMJQFRSEL-NEPJUHHUSA-N -1 1 379.490 1.484 20 0 GDADMM CC1(C(=O)N[C@@H]2[C@H]3CN(c4nc(-c5nn[n-]n5)c(Cl)s4)C[C@H]32)CCC1 ZINC001571153938 952688473 /nfs/dbraw/zinc/68/84/73/952688473.db2.gz WKTLBZPVAXYTMJ-BRPSZJMVSA-N -1 1 379.877 1.718 20 0 GDADMM C[C@@]1(CNc2ncccc2-c2nn[nH]n2)CCN(C(=O)c2ncccc2[O-])C1 ZINC001571154871 952690488 /nfs/dbraw/zinc/69/04/88/952690488.db2.gz CVLAOPATDSMLKF-SFHVURJKSA-N -1 1 380.412 1.327 20 0 GDADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCN(C(=O)c2ccoc2C2CC2)C1 ZINC001571155131 952692139 /nfs/dbraw/zinc/69/21/39/952692139.db2.gz IRIFSSUOVMFFFN-GFCCVEGCSA-N -1 1 380.412 1.478 20 0 GDADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCN(C(=O)c2ccoc2C2CC2)C1 ZINC001571155131 952692142 /nfs/dbraw/zinc/69/21/42/952692142.db2.gz IRIFSSUOVMFFFN-GFCCVEGCSA-N -1 1 380.412 1.478 20 0 GDADMM COCc1nc(NC(=O)c2ccsc2-c2nnn[n-]2)sc1C(=O)OC ZINC001571155530 952697525 /nfs/dbraw/zinc/69/75/25/952697525.db2.gz VPANBZCIPUXRCW-UHFFFAOYSA-N -1 1 380.411 1.570 20 0 GDADMM COCc1nc(NC(=O)c2ccsc2-c2nn[n-]n2)sc1C(=O)OC ZINC001571155530 952697529 /nfs/dbraw/zinc/69/75/29/952697529.db2.gz VPANBZCIPUXRCW-UHFFFAOYSA-N -1 1 380.411 1.570 20 0 GDADMM Cc1cncc(CC(=O)N(C)C2CC(Nc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571156533 952701938 /nfs/dbraw/zinc/70/19/38/952701938.db2.gz DADHCPVQEBSNLX-UHFFFAOYSA-N -1 1 379.428 1.004 20 0 GDADMM Cc1cncc(CC(=O)N(C)C2CC(Nc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571156533 952701941 /nfs/dbraw/zinc/70/19/41/952701941.db2.gz DADHCPVQEBSNLX-UHFFFAOYSA-N -1 1 379.428 1.004 20 0 GDADMM Cc1ccc(CC(=O)N(C)C2CC(Nc3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001571156664 952703092 /nfs/dbraw/zinc/70/30/92/952703092.db2.gz GMDYLHUXCJUCJR-UHFFFAOYSA-N -1 1 379.428 1.004 20 0 GDADMM Cc1ccc(CC(=O)N(C)C2CC(Nc3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571156664 952703095 /nfs/dbraw/zinc/70/30/95/952703095.db2.gz GMDYLHUXCJUCJR-UHFFFAOYSA-N -1 1 379.428 1.004 20 0 GDADMM Cc1cc(C)nc(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)c1 ZINC001571156747 952704422 /nfs/dbraw/zinc/70/44/22/952704422.db2.gz ISQIJQBHIWQIHK-ZDUSSCGKSA-N -1 1 379.428 1.067 20 0 GDADMM Cc1cc(C)nc(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)c1 ZINC001571156747 952704427 /nfs/dbraw/zinc/70/44/27/952704427.db2.gz ISQIJQBHIWQIHK-ZDUSSCGKSA-N -1 1 379.428 1.067 20 0 GDADMM Cc1cncc(C(=O)N[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)CC2)c1 ZINC001571156866 952705833 /nfs/dbraw/zinc/70/58/33/952705833.db2.gz LWXSFBXWJQZFFO-AWEZNQCLSA-N -1 1 379.428 1.149 20 0 GDADMM Cc1cncc(C(=O)N[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)CC2)c1 ZINC001571156866 952705836 /nfs/dbraw/zinc/70/58/36/952705836.db2.gz LWXSFBXWJQZFFO-AWEZNQCLSA-N -1 1 379.428 1.149 20 0 GDADMM Cc1ccc(C(=O)N2CCCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)cn1 ZINC001571157189 952707161 /nfs/dbraw/zinc/70/71/61/952707161.db2.gz NGSZROOTRMJZSK-AWEZNQCLSA-N -1 1 379.428 1.467 20 0 GDADMM Cc1ccc(C(=O)N2CCCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)cn1 ZINC001571157189 952707163 /nfs/dbraw/zinc/70/71/63/952707163.db2.gz NGSZROOTRMJZSK-AWEZNQCLSA-N -1 1 379.428 1.467 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001571158047 952709066 /nfs/dbraw/zinc/70/90/66/952709066.db2.gz QCICDSSYRPZFMQ-ZIAGYGMSSA-N -1 1 379.428 1.513 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571158047 952709069 /nfs/dbraw/zinc/70/90/69/952709069.db2.gz QCICDSSYRPZFMQ-ZIAGYGMSSA-N -1 1 379.428 1.513 20 0 GDADMM Cc1ccc([C@H](C)C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(-c3nn[n-]n3)n2)o1 ZINC001571158944 952715951 /nfs/dbraw/zinc/71/59/51/952715951.db2.gz NVUMJQZOGCVBGP-AVGNSLFASA-N -1 1 380.412 1.151 20 0 GDADMM Cc1cncc(C(=O)N2C[C@H](C)[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571159611 952721049 /nfs/dbraw/zinc/72/10/49/952721049.db2.gz VAZGJBZVDBAYSO-JSGCOSHPSA-N -1 1 379.428 1.180 20 0 GDADMM Cc1cncc(C(=O)N2C[C@H](C)[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571159611 952721060 /nfs/dbraw/zinc/72/10/60/952721060.db2.gz VAZGJBZVDBAYSO-JSGCOSHPSA-N -1 1 379.428 1.180 20 0 GDADMM O=C(Cc1ccoc1)N1CCC[C@@H]2[C@@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001571160239 952723927 /nfs/dbraw/zinc/72/39/27/952723927.db2.gz FPUYOTMYELYCIK-KGLIPLIRSA-N -1 1 380.412 1.062 20 0 GDADMM O=C(N[C@@H]1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1)c1ccccc1O ZINC001571160314 952725504 /nfs/dbraw/zinc/72/55/04/952725504.db2.gz GZCVKCMSNBSHFV-DGCLKSJQSA-N -1 1 380.412 1.373 20 0 GDADMM O=C(N[C@@H]1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1)c1ccccc1O ZINC001571160314 952725507 /nfs/dbraw/zinc/72/55/07/952725507.db2.gz GZCVKCMSNBSHFV-DGCLKSJQSA-N -1 1 380.412 1.373 20 0 GDADMM Cc1coc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2cnc(-c3nnn[n-]3)cn2)c1 ZINC001571160489 952725913 /nfs/dbraw/zinc/72/59/13/952725913.db2.gz HVBHTQTXZOQURO-YHWZYXNKSA-N -1 1 380.412 1.488 20 0 GDADMM Cc1coc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2cnc(-c3nn[n-]n3)cn2)c1 ZINC001571160489 952725919 /nfs/dbraw/zinc/72/59/19/952725919.db2.gz HVBHTQTXZOQURO-YHWZYXNKSA-N -1 1 380.412 1.488 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)c1ccoc1C1CC1 ZINC001571160812 952728820 /nfs/dbraw/zinc/72/88/20/952728820.db2.gz MIUXBHCJLORQDV-UMSPYCQHSA-N -1 1 380.412 1.748 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)c1ccoc1C1CC1 ZINC001571160812 952728826 /nfs/dbraw/zinc/72/88/26/952728826.db2.gz MIUXBHCJLORQDV-UMSPYCQHSA-N -1 1 380.412 1.748 20 0 GDADMM Cc1nc(-c2nn[n-]n2)c(N2CCC(C(=O)N3CCc4cccnc43)CC2)o1 ZINC001571161060 952731134 /nfs/dbraw/zinc/73/11/34/952731134.db2.gz PRSFVKZZQFSQMN-UHFFFAOYSA-N -1 1 380.412 1.364 20 0 GDADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)N[C@H](CO)c1cc(F)ccc1F ZINC001571171267 952791957 /nfs/dbraw/zinc/79/19/57/952791957.db2.gz QMIJSBUOEMERRZ-SNVBAGLBSA-N -1 1 381.368 1.134 20 0 GDADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)N[C@H](CO)c1cc(F)ccc1F ZINC001571171267 952791959 /nfs/dbraw/zinc/79/19/59/952791959.db2.gz QMIJSBUOEMERRZ-SNVBAGLBSA-N -1 1 381.368 1.134 20 0 GDADMM C[C@@H]1CN(C(=O)c2cnoc2C2CC2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571171599 952794954 /nfs/dbraw/zinc/79/49/54/952794954.db2.gz SYKJQEARQVHVSN-RNCFNFMXSA-N -1 1 381.400 1.095 20 0 GDADMM C[C@@H]1CN(C(=O)c2cnoc2C2CC2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571171599 952794958 /nfs/dbraw/zinc/79/49/58/952794958.db2.gz SYKJQEARQVHVSN-RNCFNFMXSA-N -1 1 381.400 1.095 20 0 GDADMM CN(Cc1cccc(=O)[nH]1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC001571172253 952804632 /nfs/dbraw/zinc/80/46/32/952804632.db2.gz QVXWWGVEYPVPQW-UHFFFAOYSA-N -1 1 380.817 1.441 20 0 GDADMM Cc1cc(C(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C23CCC3)no1 ZINC001571175555 952822349 /nfs/dbraw/zinc/82/23/49/952822349.db2.gz UULDHNKGKMGKFW-NEPJUHHUSA-N -1 1 381.400 1.106 20 0 GDADMM Cc1cc(C(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C23CCC3)no1 ZINC001571175555 952822351 /nfs/dbraw/zinc/82/23/51/952822351.db2.gz UULDHNKGKMGKFW-NEPJUHHUSA-N -1 1 381.400 1.106 20 0 GDADMM O=C(c1cc(C2CC2)no1)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571178511 952842483 /nfs/dbraw/zinc/84/24/83/952842483.db2.gz LIBDUBGBJOWPSB-SNVBAGLBSA-N -1 1 381.400 1.096 20 0 GDADMM O=C(c1cc(C2CC2)no1)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571178511 952842487 /nfs/dbraw/zinc/84/24/87/952842487.db2.gz LIBDUBGBJOWPSB-SNVBAGLBSA-N -1 1 381.400 1.096 20 0 GDADMM O=C(c1conc1C1CC1)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001571178962 952851111 /nfs/dbraw/zinc/85/11/11/952851111.db2.gz ZEFYBUKRHMLEBC-UHFFFAOYSA-N -1 1 381.400 1.239 20 0 GDADMM O=C(c1conc1C1CC1)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001571178962 952851115 /nfs/dbraw/zinc/85/11/15/952851115.db2.gz ZEFYBUKRHMLEBC-UHFFFAOYSA-N -1 1 381.400 1.239 20 0 GDADMM C[C@@H]1CCN(C(=O)Cc2ccc[nH]2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571183728 952882294 /nfs/dbraw/zinc/88/22/94/952882294.db2.gz IFIXREJNEFKZGZ-CHWSQXEVSA-N -1 1 381.444 1.124 20 0 GDADMM C[C@@H]1CCN(C(=O)Cc2ccc[nH]2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571183728 952882296 /nfs/dbraw/zinc/88/22/96/952882296.db2.gz IFIXREJNEFKZGZ-CHWSQXEVSA-N -1 1 381.444 1.124 20 0 GDADMM CCn1cccc1C(=O)N1CC[C@@H]([C@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571186252 952905757 /nfs/dbraw/zinc/90/57/57/952905757.db2.gz UHMGNDXQHWBKJC-QWHCGFSZSA-N -1 1 381.444 1.441 20 0 GDADMM CCn1cccc1C(=O)N1CC[C@@H]([C@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571186252 952905764 /nfs/dbraw/zinc/90/57/64/952905764.db2.gz UHMGNDXQHWBKJC-QWHCGFSZSA-N -1 1 381.444 1.441 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CC[C@@H](C)[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571186571 952906547 /nfs/dbraw/zinc/90/65/47/952906547.db2.gz XIWAXXSCPAAUOY-YPMHNXCESA-N -1 1 381.444 1.504 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CC[C@@H](C)[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571186571 952906549 /nfs/dbraw/zinc/90/65/49/952906549.db2.gz XIWAXXSCPAAUOY-YPMHNXCESA-N -1 1 381.444 1.504 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)n1C ZINC001571188910 952921526 /nfs/dbraw/zinc/92/15/26/952921526.db2.gz PGHDLTSXCFPBQF-OLZOCXBDSA-N -1 1 381.444 1.314 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)n1C ZINC001571188910 952921528 /nfs/dbraw/zinc/92/15/28/952921528.db2.gz PGHDLTSXCFPBQF-OLZOCXBDSA-N -1 1 381.444 1.314 20 0 GDADMM CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)c1 ZINC001571190300 952940601 /nfs/dbraw/zinc/94/06/01/952940601.db2.gz HBYYOVRGZNKVCY-UHFFFAOYSA-N -1 1 381.805 1.289 20 0 GDADMM CCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)c1 ZINC001571190300 952940604 /nfs/dbraw/zinc/94/06/04/952940604.db2.gz HBYYOVRGZNKVCY-UHFFFAOYSA-N -1 1 381.805 1.289 20 0 GDADMM C[C@@H](C(=O)Nc1ccc([C@@H](O)C(F)(F)F)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001571194516 952964695 /nfs/dbraw/zinc/96/46/95/952964695.db2.gz OHUOMFKTAUBRFR-OIBJUYFYSA-N -1 1 382.306 1.254 20 0 GDADMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC001571194647 952965482 /nfs/dbraw/zinc/96/54/82/952965482.db2.gz POJCQKWWESSZJG-CABZTGNLSA-N -1 1 382.346 1.538 20 0 GDADMM Cc1ccc(F)c(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571195482 952976740 /nfs/dbraw/zinc/97/67/40/952976740.db2.gz AKVFZQAVVLFIBQ-LBPRGKRZSA-N -1 1 382.403 1.503 20 0 GDADMM Cc1cc(F)ccc1C(=O)N1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C[C@@H]1C ZINC001571195990 952978642 /nfs/dbraw/zinc/97/86/42/952978642.db2.gz GKVWPVNLQPRHRY-WCQYABFASA-N -1 1 382.403 1.819 20 0 GDADMM Cc1cc(F)ccc1C(=O)N1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C[C@@H]1C ZINC001571195990 952978648 /nfs/dbraw/zinc/97/86/48/952978648.db2.gz GKVWPVNLQPRHRY-WCQYABFASA-N -1 1 382.403 1.819 20 0 GDADMM Cc1cc(F)ccc1C(=O)N(C)C1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571196342 952981604 /nfs/dbraw/zinc/98/16/04/952981604.db2.gz JDFJLTOLFPDMRP-UHFFFAOYSA-N -1 1 382.403 1.819 20 0 GDADMM Cc1cc(F)ccc1C(=O)N(C)C1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571196342 952981607 /nfs/dbraw/zinc/98/16/07/952981607.db2.gz JDFJLTOLFPDMRP-UHFFFAOYSA-N -1 1 382.403 1.819 20 0 GDADMM Cc1cccc(C(=O)N2CCC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c1F ZINC001571196907 952985104 /nfs/dbraw/zinc/98/51/04/952985104.db2.gz PJUFDIVNGGLEBO-LBPRGKRZSA-N -1 1 382.403 1.821 20 0 GDADMM Cc1cccc(C(=O)N2CCC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c1F ZINC001571196907 952985113 /nfs/dbraw/zinc/98/51/13/952985113.db2.gz PJUFDIVNGGLEBO-LBPRGKRZSA-N -1 1 382.403 1.821 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)c3cccc(F)c3)C2)cc(-c2nnn[n-]2)n1 ZINC001571196815 952985308 /nfs/dbraw/zinc/98/53/08/952985308.db2.gz OMFCVDOGKDSJFX-CYBMUJFWSA-N -1 1 382.403 1.685 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)c3cccc(F)c3)C2)cc(-c2nn[n-]n2)n1 ZINC001571196815 952985312 /nfs/dbraw/zinc/98/53/12/952985312.db2.gz OMFCVDOGKDSJFX-CYBMUJFWSA-N -1 1 382.403 1.685 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccc(CF)cc1 ZINC001571196935 952986446 /nfs/dbraw/zinc/98/64/46/952986446.db2.gz QCJGSEAYCIYPMO-SMDDNHRTSA-N -1 1 382.403 1.841 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(CF)cc1 ZINC001571196935 952986448 /nfs/dbraw/zinc/98/64/48/952986448.db2.gz QCJGSEAYCIYPMO-SMDDNHRTSA-N -1 1 382.403 1.841 20 0 GDADMM O=C(Cc1ccc(F)cc1)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571197325 952988106 /nfs/dbraw/zinc/98/81/06/952988106.db2.gz WQLGCHPLPMGJAE-CQSZACIVSA-N -1 1 382.403 1.441 20 0 GDADMM O=C(Cc1ccc(F)cc1)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571197325 952988110 /nfs/dbraw/zinc/98/81/10/952988110.db2.gz WQLGCHPLPMGJAE-CQSZACIVSA-N -1 1 382.403 1.441 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC2CC(CNC(=O)c3ccccc3F)C2)n1 ZINC001571197423 952989445 /nfs/dbraw/zinc/98/94/45/952989445.db2.gz ZRNYSVJVCWQSRF-UHFFFAOYSA-N -1 1 382.403 1.725 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC2CC(CNC(=O)c3ccccc3F)C2)n1 ZINC001571197423 952989450 /nfs/dbraw/zinc/98/94/50/952989450.db2.gz ZRNYSVJVCWQSRF-UHFFFAOYSA-N -1 1 382.403 1.725 20 0 GDADMM CCN(C(=O)c1c(C)coc1C)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571199444 952998869 /nfs/dbraw/zinc/99/88/69/952998869.db2.gz RHEGCPUYKAFBLN-CYBMUJFWSA-N -1 1 382.428 1.608 20 0 GDADMM CCCc1occc1C(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571199949 953005788 /nfs/dbraw/zinc/00/57/88/953005788.db2.gz DSSNJGIBZPBWMI-UHFFFAOYSA-N -1 1 382.428 1.601 20 0 GDADMM CCCc1occc1C(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571199949 953005790 /nfs/dbraw/zinc/00/57/90/953005790.db2.gz DSSNJGIBZPBWMI-UHFFFAOYSA-N -1 1 382.428 1.601 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H](CCNc3nc(C)cc(-c4nnn[n-]4)n3)C2)o1 ZINC001571201784 953019351 /nfs/dbraw/zinc/01/93/51/953019351.db2.gz OEKZJPNDOPXQSP-CYBMUJFWSA-N -1 1 382.428 1.831 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H](CCNc3nc(C)cc(-c4nn[n-]n4)n3)C2)o1 ZINC001571201784 953019357 /nfs/dbraw/zinc/01/93/57/953019357.db2.gz OEKZJPNDOPXQSP-CYBMUJFWSA-N -1 1 382.428 1.831 20 0 GDADMM O=C(NC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)c1ccc(CF)cc1 ZINC001571202419 953025053 /nfs/dbraw/zinc/02/50/53/953025053.db2.gz WHXPQADPCXGMOP-AWEZNQCLSA-N -1 1 382.403 1.525 20 0 GDADMM O=C(NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)c1ccc(CF)cc1 ZINC001571202419 953025060 /nfs/dbraw/zinc/02/50/60/953025060.db2.gz WHXPQADPCXGMOP-AWEZNQCLSA-N -1 1 382.403 1.525 20 0 GDADMM Cc1cocc1C(=O)N1CC[C@@H](C)[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571202655 953027397 /nfs/dbraw/zinc/02/73/97/953027397.db2.gz WZKNUQPFWVXXNO-DGCLKSJQSA-N -1 1 382.428 1.768 20 0 GDADMM Cc1cocc1C(=O)N1CC[C@@H](C)[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571202655 953027401 /nfs/dbraw/zinc/02/74/01/953027401.db2.gz WZKNUQPFWVXXNO-DGCLKSJQSA-N -1 1 382.428 1.768 20 0 GDADMM Cc1cc(C(=O)N2C[C@@H](C)[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)oc1C ZINC001571202800 953029416 /nfs/dbraw/zinc/02/94/16/953029416.db2.gz YVNVPXKXWVBHMG-YPMHNXCESA-N -1 1 382.428 1.687 20 0 GDADMM Cc1cc(C(=O)N2C[C@@H](C)[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)oc1C ZINC001571202800 953029420 /nfs/dbraw/zinc/02/94/20/953029420.db2.gz YVNVPXKXWVBHMG-YPMHNXCESA-N -1 1 382.428 1.687 20 0 GDADMM O=C(Cc1ccoc1)N1CCCCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571204612 953031780 /nfs/dbraw/zinc/03/17/80/953031780.db2.gz AMHVMYHZLPXEGC-CQSZACIVSA-N -1 1 382.428 1.676 20 0 GDADMM O=C(Cc1ccoc1)N1CCCCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571204612 953031782 /nfs/dbraw/zinc/03/17/82/953031782.db2.gz AMHVMYHZLPXEGC-CQSZACIVSA-N -1 1 382.428 1.676 20 0 GDADMM O=C(Cc1ccco1)N1CCC[C@@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571205728 953041033 /nfs/dbraw/zinc/04/10/33/953041033.db2.gz LBJVEVRXCRBGNW-ZDUSSCGKSA-N -1 1 382.428 1.533 20 0 GDADMM O=C(Cc1ccco1)N1CCC[C@@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571205728 953041036 /nfs/dbraw/zinc/04/10/36/953041036.db2.gz LBJVEVRXCRBGNW-ZDUSSCGKSA-N -1 1 382.428 1.533 20 0 GDADMM Cc1occc1C(=O)N[C@@H](C)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571205777 953042871 /nfs/dbraw/zinc/04/28/71/953042871.db2.gz LVNMAOOFTVPSLO-WCQYABFASA-N -1 1 382.428 1.593 20 0 GDADMM Cc1occc1C(=O)N[C@@H](C)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571205777 953042874 /nfs/dbraw/zinc/04/28/74/953042874.db2.gz LVNMAOOFTVPSLO-WCQYABFASA-N -1 1 382.428 1.593 20 0 GDADMM CC(C)(C)c1nc(CN2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])n[nH]1 ZINC001602925775 971891379 /nfs/dbraw/zinc/89/13/79/971891379.db2.gz WPQKEYHDLBQQFM-PSASIEDQSA-N -1 1 377.367 1.198 20 0 GDADMM O=C(Cc1ccco1)N[C@H]1CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571206435 953051363 /nfs/dbraw/zinc/05/13/63/953051363.db2.gz POEOUWBUKBPZBV-JSGCOSHPSA-N -1 1 382.428 1.579 20 0 GDADMM O=C(Cc1ccco1)N[C@H]1CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571206435 953051366 /nfs/dbraw/zinc/05/13/66/953051366.db2.gz POEOUWBUKBPZBV-JSGCOSHPSA-N -1 1 382.428 1.579 20 0 GDADMM Cc1c[nH]c(C(=O)N2CCCC[C@@H]2[C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001571207039 953059284 /nfs/dbraw/zinc/05/92/84/953059284.db2.gz LTOKSEGCKMFDMG-DGCLKSJQSA-N -1 1 382.432 1.184 20 0 GDADMM Cc1c[nH]c(C(=O)N2CCCC[C@@H]2[C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001571207039 953059286 /nfs/dbraw/zinc/05/92/86/953059286.db2.gz LTOKSEGCKMFDMG-DGCLKSJQSA-N -1 1 382.432 1.184 20 0 GDADMM O=C(NC1CC2(C1)CC(Nc1ccc(-c3nnn[n-]3)nn1)C2)c1cccs1 ZINC001571209883 953068989 /nfs/dbraw/zinc/06/89/89/953068989.db2.gz HRSVOMUFKNEXIS-UHFFFAOYSA-N -1 1 382.453 1.871 20 0 GDADMM O=C(NC1CC2(C1)CC(Nc1ccc(-c3nn[n-]n3)nn1)C2)c1cccs1 ZINC001571209883 953068993 /nfs/dbraw/zinc/06/89/93/953068993.db2.gz HRSVOMUFKNEXIS-UHFFFAOYSA-N -1 1 382.453 1.871 20 0 GDADMM O=C(c1cccs1)N1C[C@H]2CCC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001571210434 953072168 /nfs/dbraw/zinc/07/21/68/953072168.db2.gz ROMOGPLSUNUHCO-TXEJJXNPSA-N -1 1 382.453 1.602 20 0 GDADMM O=C(c1cccs1)N1C[C@H]2CCC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001571210434 953072171 /nfs/dbraw/zinc/07/21/71/953072171.db2.gz ROMOGPLSUNUHCO-TXEJJXNPSA-N -1 1 382.453 1.602 20 0 GDADMM C[C@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001571212263 953085627 /nfs/dbraw/zinc/08/56/27/953085627.db2.gz KGZMIBANXFXFCH-YUELXQCFSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001571212263 953085631 /nfs/dbraw/zinc/08/56/31/953085631.db2.gz KGZMIBANXFXFCH-YUELXQCFSA-N -1 1 382.472 1.663 20 0 GDADMM CCc1nc(N[C@@H]2C[C@@H](NC(=O)C3CCC3)C23CCC3)cc(-c2nnn[n-]2)n1 ZINC001571212254 953086148 /nfs/dbraw/zinc/08/61/48/953086148.db2.gz KCVILYQBTWQNCH-ZIAGYGMSSA-N -1 1 382.472 1.859 20 0 GDADMM CCc1nc(N[C@@H]2C[C@@H](NC(=O)C3CCC3)C23CCC3)cc(-c2nn[n-]n2)n1 ZINC001571212254 953086153 /nfs/dbraw/zinc/08/61/53/953086153.db2.gz KCVILYQBTWQNCH-ZIAGYGMSSA-N -1 1 382.472 1.859 20 0 GDADMM CN(CC1CCN(C(=O)[C@@H]2CC23CCC3)CC1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571213272 953094485 /nfs/dbraw/zinc/09/44/85/953094485.db2.gz QQTRXEDDEMAYLJ-AWEZNQCLSA-N -1 1 382.472 1.522 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NCC[C@@H]2CN(C(=O)[C@H]3CC34CC4)C[C@H]2C)n1 ZINC001571214016 953098704 /nfs/dbraw/zinc/09/87/04/953098704.db2.gz VBVVVEWUZIYWHL-MRVWCRGKSA-N -1 1 382.472 1.662 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NCC[C@@H]2CN(C(=O)[C@H]3CC34CC4)C[C@H]2C)n1 ZINC001571214016 953098709 /nfs/dbraw/zinc/09/87/09/953098709.db2.gz VBVVVEWUZIYWHL-MRVWCRGKSA-N -1 1 382.472 1.662 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)C[C@H]2C)n1 ZINC001571214103 953099510 /nfs/dbraw/zinc/09/95/10/953099510.db2.gz WYIVHTGRFZFCDY-JSFFLRCESA-N -1 1 382.472 1.518 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)C[C@H]2C)n1 ZINC001571214103 953099512 /nfs/dbraw/zinc/09/95/12/953099512.db2.gz WYIVHTGRFZFCDY-JSFFLRCESA-N -1 1 382.472 1.518 20 0 GDADMM CCc1nc(NC2CC(N(C)C(=O)[C@@H]3CC34CCC4)C2)cc(-c2nnn[n-]2)n1 ZINC001571214440 953101624 /nfs/dbraw/zinc/10/16/24/953101624.db2.gz YRFHFANOLAPMDZ-BPCQOVAHSA-N -1 1 382.472 1.811 20 0 GDADMM CCc1nc(NC2CC(N(C)C(=O)[C@@H]3CC34CCC4)C2)cc(-c2nn[n-]n2)n1 ZINC001571214440 953101626 /nfs/dbraw/zinc/10/16/26/953101626.db2.gz YRFHFANOLAPMDZ-BPCQOVAHSA-N -1 1 382.472 1.811 20 0 GDADMM CC1(CC(=O)N2CCC[C@@]3(CCN(c4nccnc4-c4nnn[n-]4)C3)C2)CC1 ZINC001571214455 953102308 /nfs/dbraw/zinc/10/23/08/953102308.db2.gz YUGKJKVHIQOZDX-LJQANCHMSA-N -1 1 382.472 1.666 20 0 GDADMM CC1(CC(=O)N2CCC[C@@]3(CCN(c4nccnc4-c4nn[n-]n4)C3)C2)CC1 ZINC001571214455 953102311 /nfs/dbraw/zinc/10/23/11/953102311.db2.gz YUGKJKVHIQOZDX-LJQANCHMSA-N -1 1 382.472 1.666 20 0 GDADMM O=C(CCC1CC1)N1C[C@@H]2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H]2C1 ZINC001571217296 953106889 /nfs/dbraw/zinc/10/68/89/953106889.db2.gz DVVOADHHCWTIRO-ZNMIVQPWSA-N -1 1 382.472 1.886 20 0 GDADMM O=C(CCC1CC1)N1C[C@@H]2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H]2C1 ZINC001571217296 953106892 /nfs/dbraw/zinc/10/68/92/953106892.db2.gz DVVOADHHCWTIRO-ZNMIVQPWSA-N -1 1 382.472 1.886 20 0 GDADMM O=C(NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1)[C@H]1CCCC2(CC2)C1 ZINC001571217722 953110946 /nfs/dbraw/zinc/11/09/46/953110946.db2.gz JFBMEPCQZPFWHJ-MOKVOYLWSA-N -1 1 382.472 1.934 20 0 GDADMM O=C(NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1)[C@H]1CCCC2(CC2)C1 ZINC001571217722 953110949 /nfs/dbraw/zinc/11/09/49/953110949.db2.gz JFBMEPCQZPFWHJ-MOKVOYLWSA-N -1 1 382.472 1.934 20 0 GDADMM O=C([C@@H]1CC[C@@H]2C[C@@H]2CC1)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571219400 953126262 /nfs/dbraw/zinc/12/62/62/953126262.db2.gz YYDLYUGQDYBUOX-ZSOGYDGISA-N -1 1 382.472 1.886 20 0 GDADMM O=C([C@@H]1CC[C@@H]2C[C@@H]2CC1)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571219400 953126265 /nfs/dbraw/zinc/12/62/65/953126265.db2.gz YYDLYUGQDYBUOX-ZSOGYDGISA-N -1 1 382.472 1.886 20 0 GDADMM CCc1nc(C(=O)N2CC[C@@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)[C@H]2C)co1 ZINC001571222210 953132233 /nfs/dbraw/zinc/13/22/33/953132233.db2.gz FRKAOCGXUQZWPH-GHMZBOCLSA-N -1 1 383.416 1.231 20 0 GDADMM CCc1nc(C(=O)N2CC[C@@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)[C@H]2C)co1 ZINC001571222210 953132237 /nfs/dbraw/zinc/13/22/37/953132237.db2.gz FRKAOCGXUQZWPH-GHMZBOCLSA-N -1 1 383.416 1.231 20 0 GDADMM CCN(C(=O)c1oc(C)nc1C)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571222594 953137047 /nfs/dbraw/zinc/13/70/47/953137047.db2.gz JTLQZGUYUQDCKG-GFCCVEGCSA-N -1 1 383.416 1.003 20 0 GDADMM CCN(C(=O)c1oc(C)nc1C)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571222594 953137050 /nfs/dbraw/zinc/13/70/50/953137050.db2.gz JTLQZGUYUQDCKG-GFCCVEGCSA-N -1 1 383.416 1.003 20 0 GDADMM CCc1ocnc1C(=O)N1CC[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001571223277 953143553 /nfs/dbraw/zinc/14/35/53/953143553.db2.gz SEJOQDLDCBBDTQ-QWRGUYRKSA-N -1 1 383.416 1.231 20 0 GDADMM CCc1ocnc1C(=O)N1CC[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001571223277 953143556 /nfs/dbraw/zinc/14/35/56/953143556.db2.gz SEJOQDLDCBBDTQ-QWRGUYRKSA-N -1 1 383.416 1.231 20 0 GDADMM CC(C)c1cc(C(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C[C@@H]2C)no1 ZINC001571223386 953143945 /nfs/dbraw/zinc/14/39/45/953143945.db2.gz QLVXCAUXDSHUQR-WDEREUQCSA-N -1 1 383.416 1.483 20 0 GDADMM CC(C)c1cc(C(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C[C@@H]2C)no1 ZINC001571223386 953143947 /nfs/dbraw/zinc/14/39/47/953143947.db2.gz QLVXCAUXDSHUQR-WDEREUQCSA-N -1 1 383.416 1.483 20 0 GDADMM CC(C)c1cc(C(=O)N2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C[C@H]2C)no1 ZINC001571223384 953144435 /nfs/dbraw/zinc/14/44/35/953144435.db2.gz QLVXCAUXDSHUQR-MNOVXSKESA-N -1 1 383.416 1.483 20 0 GDADMM CC(C)c1cc(C(=O)N2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C[C@H]2C)no1 ZINC001571223384 953144437 /nfs/dbraw/zinc/14/44/37/953144437.db2.gz QLVXCAUXDSHUQR-MNOVXSKESA-N -1 1 383.416 1.483 20 0 GDADMM CCc1noc(C)c1C(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571223585 953144891 /nfs/dbraw/zinc/14/48/91/953144891.db2.gz WJDJQIDWOORNLB-NSHDSACASA-N -1 1 383.416 1.232 20 0 GDADMM CCc1noc(C)c1C(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571223585 953144892 /nfs/dbraw/zinc/14/48/92/953144892.db2.gz WJDJQIDWOORNLB-NSHDSACASA-N -1 1 383.416 1.232 20 0 GDADMM COC(=O)[C@@H]1CN(C(=O)c2ccsc2-c2nnn[n-]2)C[C@H]1c1ccccc1 ZINC001571230914 953180965 /nfs/dbraw/zinc/18/09/65/953180965.db2.gz NGRQUAOXZVVFCB-UONOGXRCSA-N -1 1 383.433 1.957 20 0 GDADMM COC(=O)[C@@H]1CN(C(=O)c2ccsc2-c2nn[n-]n2)C[C@H]1c1ccccc1 ZINC001571230914 953180969 /nfs/dbraw/zinc/18/09/69/953180969.db2.gz NGRQUAOXZVVFCB-UONOGXRCSA-N -1 1 383.433 1.957 20 0 GDADMM COc1cccc(F)c1C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571234804 953206395 /nfs/dbraw/zinc/20/63/95/953206395.db2.gz JEGBQMVKOIEUJG-MGCOHNPYSA-N -1 1 384.375 1.177 20 0 GDADMM COc1cccc(F)c1C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571234804 953206398 /nfs/dbraw/zinc/20/63/98/953206398.db2.gz JEGBQMVKOIEUJG-MGCOHNPYSA-N -1 1 384.375 1.177 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)[C@@H]2C)s1 ZINC001571244881 953268601 /nfs/dbraw/zinc/26/86/01/953268601.db2.gz LBZZBYSLEMJISH-AAEUAGOBSA-N -1 1 384.469 1.671 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)[C@@H]2C)s1 ZINC001571244881 953268604 /nfs/dbraw/zinc/26/86/04/953268604.db2.gz LBZZBYSLEMJISH-AAEUAGOBSA-N -1 1 384.469 1.671 20 0 GDADMM Cc1cc(C)c(C(=O)N2CCC(Nc3ccnc(-c4nn[n-]n4)n3)CC2)s1 ZINC001571245307 953272055 /nfs/dbraw/zinc/27/20/55/953272055.db2.gz RNIDALSWSZDKTQ-UHFFFAOYSA-N -1 1 384.469 1.474 20 0 GDADMM C[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CN1C(=O)CCc1ccsc1 ZINC001571246236 953281853 /nfs/dbraw/zinc/28/18/53/953281853.db2.gz WUASDMFPJDWMPP-AAEUAGOBSA-N -1 1 384.469 1.752 20 0 GDADMM C[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CN1C(=O)CCc1ccsc1 ZINC001571246236 953281855 /nfs/dbraw/zinc/28/18/55/953281855.db2.gz WUASDMFPJDWMPP-AAEUAGOBSA-N -1 1 384.469 1.752 20 0 GDADMM Cc1nsc(N2CC[C@@H](NC(=O)c3ccccn3)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571247592 953283367 /nfs/dbraw/zinc/28/33/67/953283367.db2.gz AQIUOTDXJGANRU-ZYHUDNBSSA-N -1 1 384.469 1.814 20 0 GDADMM O=C(CCc1ccsc1)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571247814 953286283 /nfs/dbraw/zinc/28/62/83/953286283.db2.gz FMXGHGYACVNEGS-CYBMUJFWSA-N -1 1 384.469 1.754 20 0 GDADMM O=C(CCc1ccsc1)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571247814 953286286 /nfs/dbraw/zinc/28/62/86/953286286.db2.gz FMXGHGYACVNEGS-CYBMUJFWSA-N -1 1 384.469 1.754 20 0 GDADMM O=C(Cc1cccs1)N1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571248217 953290495 /nfs/dbraw/zinc/29/04/95/953290495.db2.gz NPBOFTYCENSMMB-LBPRGKRZSA-N -1 1 384.469 1.754 20 0 GDADMM O=C(Cc1cccs1)N1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571248217 953290499 /nfs/dbraw/zinc/29/04/99/953290499.db2.gz NPBOFTYCENSMMB-LBPRGKRZSA-N -1 1 384.469 1.754 20 0 GDADMM Cc1nsc(N[C@H]2CN(C(=O)c3ccncc3)CC2(C)C)c1-c1nn[n-]n1 ZINC001571248418 953293484 /nfs/dbraw/zinc/29/34/84/953293484.db2.gz SVQTVEPUGZGNAM-LBPRGKRZSA-N -1 1 384.469 1.989 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CC[C@@H](NC(=O)C3=COCCC3)C2)n1 ZINC001571248519 953294555 /nfs/dbraw/zinc/29/45/55/953294555.db2.gz FEKSOYDRETUGPN-TZMCWYRMSA-N -1 1 384.444 1.356 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CC[C@@H](NC(=O)C3=COCCC3)C2)n1 ZINC001571248519 953294560 /nfs/dbraw/zinc/29/45/60/953294560.db2.gz FEKSOYDRETUGPN-TZMCWYRMSA-N -1 1 384.444 1.356 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001571249041 953300582 /nfs/dbraw/zinc/30/05/82/953300582.db2.gz BQNKAMXOADIKNO-KGLIPLIRSA-N -1 1 384.488 1.555 20 0 GDADMM CC(=O)N1CCC[C@H](C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C2CCCC2)C1 ZINC001571250228 953308862 /nfs/dbraw/zinc/30/88/62/953308862.db2.gz OSYVUBDIYWXLBM-GDBMZVCRSA-N -1 1 384.488 1.698 20 0 GDADMM CC(C)[C@H](C)C(=O)N1C[C@@]2(C)CN(c3cncc(-c4nnn[n-]4)n3)C[C@@]2(C)C1 ZINC001571250996 953314629 /nfs/dbraw/zinc/31/46/29/953314629.db2.gz VAALZGITUPKOFW-FASAQXTFSA-N -1 1 384.488 1.624 20 0 GDADMM CC(C)[C@H](C)C(=O)N1C[C@@]2(C)CN(c3cncc(-c4nn[n-]n4)n3)C[C@@]2(C)C1 ZINC001571250996 953314632 /nfs/dbraw/zinc/31/46/32/953314632.db2.gz VAALZGITUPKOFW-FASAQXTFSA-N -1 1 384.488 1.624 20 0 GDADMM CCC(=O)N1CCC([C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)CC2)CC1 ZINC001571251147 953315096 /nfs/dbraw/zinc/31/50/96/953315096.db2.gz WGWNYKHNUNHTFE-CQSZACIVSA-N -1 1 384.488 1.912 20 0 GDADMM CCC(=O)N1CCC([C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)CC2)CC1 ZINC001571251147 953315099 /nfs/dbraw/zinc/31/50/99/953315099.db2.gz WGWNYKHNUNHTFE-CQSZACIVSA-N -1 1 384.488 1.912 20 0 GDADMM CN(CC1CCN(C(=O)C2CCCCC2)CC1)c1cncc(-c2nnn[n-]2)n1 ZINC001571252012 953321565 /nfs/dbraw/zinc/32/15/65/953321565.db2.gz FGVNDFBVCXHUBE-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CN(CC1CCN(C(=O)C2CCCCC2)CC1)c1cncc(-c2nn[n-]n2)n1 ZINC001571252012 953321571 /nfs/dbraw/zinc/32/15/71/953321571.db2.gz FGVNDFBVCXHUBE-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](CNC(=O)[C@H]3CCCC3(C)C)C2)n1 ZINC001571252003 953321779 /nfs/dbraw/zinc/32/17/79/953321779.db2.gz DXFTUEZLTWQPGX-ZIAGYGMSSA-N -1 1 384.488 1.734 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](CNC(=O)[C@H]3CCCC3(C)C)C2)n1 ZINC001571252003 953321782 /nfs/dbraw/zinc/32/17/82/953321782.db2.gz DXFTUEZLTWQPGX-ZIAGYGMSSA-N -1 1 384.488 1.734 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@H]([C@H]3CCCN(C(C)=O)C3)C2)n1 ZINC001571252014 953323507 /nfs/dbraw/zinc/32/35/07/953323507.db2.gz FIIKEYFHPVZVSR-GJZGRUSLSA-N -1 1 384.488 1.694 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@H]([C@H]3CCCN(C(C)=O)C3)C2)n1 ZINC001571252014 953323512 /nfs/dbraw/zinc/32/35/12/953323512.db2.gz FIIKEYFHPVZVSR-GJZGRUSLSA-N -1 1 384.488 1.694 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)[C@@]12CCO[C@@H]1CCCC2 ZINC001571252226 953325573 /nfs/dbraw/zinc/32/55/73/953325573.db2.gz ZFXDTPWCHFDSCM-YVVSIOMPSA-N -1 1 384.444 1.065 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)[C@@]12CCO[C@@H]1CCCC2 ZINC001571252226 953325576 /nfs/dbraw/zinc/32/55/76/953325576.db2.gz ZFXDTPWCHFDSCM-YVVSIOMPSA-N -1 1 384.444 1.065 20 0 GDADMM O=C([O-])C1CC2(C1)CC[C@@H](CNC(=O)N[C@H]1CCCN3CCSC[C@@H]13)O2 ZINC001594750653 953426258 /nfs/dbraw/zinc/42/62/58/953426258.db2.gz VQBZOARPWGHMHS-ZQYVVYLISA-N -1 1 383.514 1.278 20 0 GDADMM CC(C)C[C@H](CNC(=O)NCc1cccnc1N1CCN(C)CC1)C(=O)[O-] ZINC000424390032 953456354 /nfs/dbraw/zinc/45/63/54/953456354.db2.gz DGPUFJUORADYOL-MRXNPFEDSA-N -1 1 377.489 1.380 20 0 GDADMM C[C@@H]1CCN(CC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)C[C@@H]1C(=O)[O-] ZINC000563810776 953602126 /nfs/dbraw/zinc/60/21/26/953602126.db2.gz SFFVRNWRDDAHGV-OCCSQVGLSA-N -1 1 391.424 1.539 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-])[N@H+]1[C@H](C)CC[C@@H]1C ZINC001589323523 953884604 /nfs/dbraw/zinc/88/46/04/953884604.db2.gz KXPPGHXKOHYHNI-NZEXEKPDSA-N -1 1 393.406 1.370 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-])[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001589323523 953884617 /nfs/dbraw/zinc/88/46/17/953884617.db2.gz KXPPGHXKOHYHNI-NZEXEKPDSA-N -1 1 393.406 1.370 20 0 GDADMM O=C([O-])[C@@H](C(=O)Nc1cccc(S(=O)(=O)Nc2ncccn2)c1)C1CC1 ZINC001594836862 954031336 /nfs/dbraw/zinc/03/13/36/954031336.db2.gz COSIRIVZBKMDEB-CYBMUJFWSA-N -1 1 376.394 1.327 20 0 GDADMM CN(C)Cc1ccnc(NC(=O)N2C[C@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)c1 ZINC001593703843 954142973 /nfs/dbraw/zinc/14/29/73/954142973.db2.gz ISJNNCZJBFTLPP-HUUCEWRRSA-N -1 1 386.456 1.599 20 0 GDADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655580654 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Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc(N2CCCC2)nc1 ZINC000737301900 598969265 /nfs/dbraw/zinc/96/92/65/598969265.db2.gz VEPWKYGUVYAESQ-UHFFFAOYSA-N -1 1 385.453 1.971 20 0 GDADMM COc1ccc(C2(NC(=O)c3ccc(-c4nnn[n-]4)nc3)CCOCC2)cc1 ZINC000737075070 599000256 /nfs/dbraw/zinc/00/02/56/599000256.db2.gz JATNWKBFVDGWGN-UHFFFAOYSA-N -1 1 380.408 1.706 20 0 GDADMM COc1ccc(C2(NC(=O)c3ccc(-c4nn[n-]n4)nc3)CCOCC2)cc1 ZINC000737075070 599000259 /nfs/dbraw/zinc/00/02/59/599000259.db2.gz JATNWKBFVDGWGN-UHFFFAOYSA-N -1 1 380.408 1.706 20 0 GDADMM Cc1oc(NC(=O)COC(=O)[C@@H](O)CCc2ccccc2)c(-c2nn[n-]n2)c1C ZINC000737553364 599017057 /nfs/dbraw/zinc/01/70/57/599017057.db2.gz USZDAOAKTHREPI-AWEZNQCLSA-N -1 1 399.407 1.552 20 0 GDADMM O=C(Nc1ccc(F)cc1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000738165612 599021575 /nfs/dbraw/zinc/02/15/75/599021575.db2.gz KEELTKCHLHFAHN-UHFFFAOYSA-N -1 1 396.386 1.391 20 0 GDADMM O=C(Nc1ccc(F)cc1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000738165612 599021577 /nfs/dbraw/zinc/02/15/77/599021577.db2.gz KEELTKCHLHFAHN-UHFFFAOYSA-N -1 1 396.386 1.391 20 0 GDADMM CC(C)(C)OC(=O)NCC1(NC(=O)c2ccc(-c3nnn[n-]3)nc2)CCCC1 ZINC000735636062 599030624 /nfs/dbraw/zinc/03/06/24/599030624.db2.gz NOXODYRBHJGQAB-UHFFFAOYSA-N -1 1 387.444 1.829 20 0 GDADMM CC(C)(C)OC(=O)NCC1(NC(=O)c2ccc(-c3nn[n-]n3)nc2)CCCC1 ZINC000735636062 599030626 /nfs/dbraw/zinc/03/06/26/599030626.db2.gz NOXODYRBHJGQAB-UHFFFAOYSA-N -1 1 387.444 1.829 20 0 GDADMM Cc1cccc(NC2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)c1 ZINC000737400488 599051346 /nfs/dbraw/zinc/05/13/46/599051346.db2.gz UTNLHMUGVAXROD-UHFFFAOYSA-N -1 1 399.480 1.835 20 0 GDADMM Cc1cccc(NC2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)c1 ZINC000737400488 599051349 /nfs/dbraw/zinc/05/13/49/599051349.db2.gz UTNLHMUGVAXROD-UHFFFAOYSA-N -1 1 399.480 1.835 20 0 GDADMM O=C(/C=C/C1CC1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000822922533 599138477 /nfs/dbraw/zinc/13/84/77/599138477.db2.gz HDGNGEGRRWOMPW-AATRIKPKSA-N -1 1 381.396 1.730 20 0 GDADMM COc1ccccc1CNC(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737150088 599138589 /nfs/dbraw/zinc/13/85/89/599138589.db2.gz MGTFHZPTIXIETB-NSHDSACASA-N -1 1 382.380 1.132 20 0 GDADMM COc1ccccc1CNC(=O)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737150088 599138592 /nfs/dbraw/zinc/13/85/92/599138592.db2.gz MGTFHZPTIXIETB-NSHDSACASA-N -1 1 382.380 1.132 20 0 GDADMM Cc1cccc(OCCNC(=O)[C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737410096 599141758 /nfs/dbraw/zinc/14/17/58/599141758.db2.gz FLRJNEWRDCRTTO-CYBMUJFWSA-N -1 1 396.407 1.311 20 0 GDADMM Cc1cccc(OCCNC(=O)[C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737410096 599141760 /nfs/dbraw/zinc/14/17/60/599141760.db2.gz FLRJNEWRDCRTTO-CYBMUJFWSA-N -1 1 396.407 1.311 20 0 GDADMM COc1ccc2c(COC(=O)c3ccc(-c4nnn[n-]4)nc3)cc(=O)oc2c1 ZINC000737115394 599143165 /nfs/dbraw/zinc/14/31/65/599143165.db2.gz PKBZWYOHQMRNHZ-UHFFFAOYSA-N -1 1 379.332 1.734 20 0 GDADMM COc1ccc2c(COC(=O)c3ccc(-c4nn[n-]n4)nc3)cc(=O)oc2c1 ZINC000737115394 599143167 /nfs/dbraw/zinc/14/31/67/599143167.db2.gz PKBZWYOHQMRNHZ-UHFFFAOYSA-N -1 1 379.332 1.734 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)NCCCSc1ccccc1 ZINC000737909175 599144635 /nfs/dbraw/zinc/14/46/35/599144635.db2.gz PYGFHNZVOFWGGO-UHFFFAOYSA-N -1 1 398.448 1.717 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)NCCCSc1ccccc1 ZINC000737909175 599144637 /nfs/dbraw/zinc/14/46/37/599144637.db2.gz PYGFHNZVOFWGGO-UHFFFAOYSA-N -1 1 398.448 1.717 20 0 GDADMM O=S(=O)(N[C@@H]1C[C@H]1c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)nc1 ZINC000738328013 599179656 /nfs/dbraw/zinc/17/96/56/599179656.db2.gz BCJITEPANWFAEW-NOZJJQNGSA-N -1 1 378.364 1.374 20 0 GDADMM O=S(=O)(N[C@@H]1C[C@H]1c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)nc1 ZINC000738328013 599179658 /nfs/dbraw/zinc/17/96/58/599179658.db2.gz BCJITEPANWFAEW-NOZJJQNGSA-N -1 1 378.364 1.374 20 0 GDADMM COCCCn1ccc(NC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)n1 ZINC000736988912 599184067 /nfs/dbraw/zinc/18/40/67/599184067.db2.gz WYJUFVXOKKIQTH-UHFFFAOYSA-N -1 1 390.429 1.175 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@H](C)C(=O)OC(C)C ZINC000822535467 599196369 /nfs/dbraw/zinc/19/63/69/599196369.db2.gz SFFXAENEKUTKCJ-NSHDSACASA-N -1 1 386.412 1.876 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@H](C)C(=O)OC(C)C ZINC000822535467 599196370 /nfs/dbraw/zinc/19/63/70/599196370.db2.gz SFFXAENEKUTKCJ-NSHDSACASA-N -1 1 386.412 1.876 20 0 GDADMM Fc1cccc(Sc2nnnn2-c2ccc3c(c2)OCO3)c1-c1nn[n-]n1 ZINC000737663156 599207530 /nfs/dbraw/zinc/20/75/30/599207530.db2.gz HAGRCSMCHUAFTG-UHFFFAOYSA-N -1 1 384.356 1.861 20 0 GDADMM COc1ccccc1NS(=O)(=O)c1cc(C(=O)N(C)CC(=O)[O-])ccc1C ZINC000738126633 596901286 /nfs/dbraw/zinc/90/12/86/596901286.db2.gz KDYYCRLSSCWIMR-UHFFFAOYSA-N -1 1 392.433 1.961 20 0 GDADMM Cc1cc([N-]S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)n(-c2ccncc2)n1 ZINC000822209377 599233986 /nfs/dbraw/zinc/23/39/86/599233986.db2.gz GMGWDWXFCUMORS-UHFFFAOYSA-N -1 1 396.436 1.865 20 0 GDADMM COc1ccc2c(c1)N(S(=O)(=O)c1ccc(-c3nnn[n-]3)nc1)C[C@@H](C)O2 ZINC000737119876 599236682 /nfs/dbraw/zinc/23/66/82/599236682.db2.gz VEBZOHFTPWZMQS-SNVBAGLBSA-N -1 1 388.409 1.247 20 0 GDADMM COc1ccc2c(c1)N(S(=O)(=O)c1ccc(-c3nn[n-]n3)nc1)C[C@@H](C)O2 ZINC000737119876 599236684 /nfs/dbraw/zinc/23/66/84/599236684.db2.gz VEBZOHFTPWZMQS-SNVBAGLBSA-N -1 1 388.409 1.247 20 0 GDADMM O=C([O-])CNC(=O)C(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC000740483385 597048658 /nfs/dbraw/zinc/04/86/58/597048658.db2.gz YTGYQGABKFJJLR-UHFFFAOYSA-N -1 1 390.440 1.031 20 0 GDADMM Cc1ccc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cn1 ZINC000822248807 607274782 /nfs/dbraw/zinc/27/47/82/607274782.db2.gz OSFSTCLVTICVHV-LBPRGKRZSA-N -1 1 380.416 1.103 20 0 GDADMM Cc1ccc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cn1 ZINC000822248807 607274783 /nfs/dbraw/zinc/27/47/83/607274783.db2.gz OSFSTCLVTICVHV-LBPRGKRZSA-N -1 1 380.416 1.103 20 0 GDADMM CCn1c(SCC(=O)N=c2cc[nH]cc2-c2nn[n-]n2)nnc1-c1ccco1 ZINC000736713630 599256933 /nfs/dbraw/zinc/25/69/33/599256933.db2.gz JTBPFBOEXOXIFY-UHFFFAOYSA-N -1 1 397.424 1.286 20 0 GDADMM CCc1nc2cc(NC(=O)NCCCc3[nH]nc(N)c3-c3nnn[n-]3)ccc2o1 ZINC000736705424 599280229 /nfs/dbraw/zinc/28/02/29/599280229.db2.gz IYESXIWKWDDEBY-UHFFFAOYSA-N -1 1 396.415 1.630 20 0 GDADMM CCc1nc2cc(NC(=O)NCCCc3[nH]nc(N)c3-c3nn[n-]n3)ccc2o1 ZINC000736705424 599280231 /nfs/dbraw/zinc/28/02/31/599280231.db2.gz IYESXIWKWDDEBY-UHFFFAOYSA-N -1 1 396.415 1.630 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@H](C)Cc2ccc(O)cc2)cc1-c1nn[n-]n1 ZINC000821971033 607324915 /nfs/dbraw/zinc/32/49/15/607324915.db2.gz WGFHOZFUTOVDKZ-SECBINFHSA-N -1 1 386.437 1.756 20 0 GDADMM CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NCc2cccc(C(=O)[O-])c2)c1 ZINC000820645477 598203680 /nfs/dbraw/zinc/20/36/80/598203680.db2.gz ISCUDRHCVVNYKZ-LBPRGKRZSA-N -1 1 391.449 1.410 20 0 GDADMM COC(=O)c1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c(Cl)c1 ZINC000736947632 598260723 /nfs/dbraw/zinc/26/07/23/598260723.db2.gz BSDMJRVWGQJLBW-UHFFFAOYSA-N -1 1 395.784 1.469 20 0 GDADMM COC(=O)c1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c(Cl)c1 ZINC000736947632 598260724 /nfs/dbraw/zinc/26/07/24/598260724.db2.gz BSDMJRVWGQJLBW-UHFFFAOYSA-N -1 1 395.784 1.469 20 0 GDADMM Cc1ccc(SCCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737367871 598261123 /nfs/dbraw/zinc/26/11/23/598261123.db2.gz BMMFQKGFBHARPF-UHFFFAOYSA-N -1 1 376.467 1.641 20 0 GDADMM Cc1ccc(SCCNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737367871 598261126 /nfs/dbraw/zinc/26/11/26/598261126.db2.gz BMMFQKGFBHARPF-UHFFFAOYSA-N -1 1 376.467 1.641 20 0 GDADMM O=S(=O)(NCCc1ccc(OC(F)F)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738338875 598261191 /nfs/dbraw/zinc/26/11/91/598261191.db2.gz NYTLCAVQJQPVQY-UHFFFAOYSA-N -1 1 396.379 1.384 20 0 GDADMM O=S(=O)(NCCc1ccc(OC(F)F)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738338875 598261193 /nfs/dbraw/zinc/26/11/93/598261193.db2.gz NYTLCAVQJQPVQY-UHFFFAOYSA-N -1 1 396.379 1.384 20 0 GDADMM COc1cc(C=O)cc(Cl)c1OS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737044779 598261329 /nfs/dbraw/zinc/26/13/29/598261329.db2.gz RVJBXACTIULQHC-UHFFFAOYSA-N -1 1 395.784 1.504 20 0 GDADMM COc1cc(C=O)cc(Cl)c1OS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737044779 598261330 /nfs/dbraw/zinc/26/13/30/598261330.db2.gz RVJBXACTIULQHC-UHFFFAOYSA-N -1 1 395.784 1.504 20 0 GDADMM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc(OC(F)F)c1 ZINC000736132373 598264891 /nfs/dbraw/zinc/26/48/91/598264891.db2.gz VQGIUNXIDKRPPB-VIFPVBQESA-N -1 1 396.379 1.903 20 0 GDADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc(OC(F)F)c1 ZINC000736132373 598264893 /nfs/dbraw/zinc/26/48/93/598264893.db2.gz VQGIUNXIDKRPPB-VIFPVBQESA-N -1 1 396.379 1.903 20 0 GDADMM O=S(=O)(NCCc1csc2ccccc12)c1ccc(-c2nnn[n-]2)nc1 ZINC000738338022 598267793 /nfs/dbraw/zinc/26/77/93/598267793.db2.gz IWDMGOMSDNUCRE-UHFFFAOYSA-N -1 1 386.462 1.997 20 0 GDADMM O=S(=O)(NCCc1csc2ccccc12)c1ccc(-c2nn[n-]n2)nc1 ZINC000738338022 598267795 /nfs/dbraw/zinc/26/77/95/598267795.db2.gz IWDMGOMSDNUCRE-UHFFFAOYSA-N -1 1 386.462 1.997 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)O[C@@H](C(N)=O)C(C)C)c1-c1nnn[n-]1 ZINC000737188652 598288463 /nfs/dbraw/zinc/28/84/63/598288463.db2.gz DJHRGHGSOSWAIA-GFCCVEGCSA-N -1 1 376.442 1.528 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)O[C@@H](C(N)=O)C(C)C)c1-c1nn[n-]n1 ZINC000737188652 598288465 /nfs/dbraw/zinc/28/84/65/598288465.db2.gz DJHRGHGSOSWAIA-GFCCVEGCSA-N -1 1 376.442 1.528 20 0 GDADMM Cc1ccn(CC(=O)Nc2ccc(C(F)(F)F)cc2)c(=O)c1-c1nn[n-]n1 ZINC000822370460 607349560 /nfs/dbraw/zinc/34/95/60/607349560.db2.gz YOBRGDRWZDSYJM-UHFFFAOYSA-N -1 1 378.314 1.994 20 0 GDADMM O=S(=O)([N-]Cc1ccc(-c2nn[nH]n2)cc1F)c1ccc(F)c(F)c1F ZINC000738337594 598312610 /nfs/dbraw/zinc/31/26/10/598312610.db2.gz FWUUZXKUACYGEM-UHFFFAOYSA-N -1 1 387.318 1.902 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCCO[C@H](c2ccccc2)C1 ZINC000738352742 598313878 /nfs/dbraw/zinc/31/38/78/598313878.db2.gz AFRILYVEKZZNQC-INIZCTEOSA-N -1 1 386.437 1.414 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCCO[C@H](c2ccccc2)C1 ZINC000738352742 598313880 /nfs/dbraw/zinc/31/38/80/598313880.db2.gz AFRILYVEKZZNQC-INIZCTEOSA-N -1 1 386.437 1.414 20 0 GDADMM COc1ccc(Cl)cc1CN1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000737099308 598342919 /nfs/dbraw/zinc/34/29/19/598342919.db2.gz KMLPUCFIXUOOCF-UHFFFAOYSA-N -1 1 386.847 1.641 20 0 GDADMM COc1ccc(Cl)cc1CN1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000737099308 598342921 /nfs/dbraw/zinc/34/29/21/598342921.db2.gz KMLPUCFIXUOOCF-UHFFFAOYSA-N -1 1 386.847 1.641 20 0 GDADMM O=C(NCc1ccco1)c1cccc(CNc2nccnc2-c2nnn[n-]2)c1 ZINC000738124949 598345465 /nfs/dbraw/zinc/34/54/65/598345465.db2.gz XCIVZYNXOYNWSP-UHFFFAOYSA-N -1 1 376.380 1.792 20 0 GDADMM O=C(NCc1ccco1)c1cccc(CNc2nccnc2-c2nn[n-]n2)c1 ZINC000738124949 598345467 /nfs/dbraw/zinc/34/54/67/598345467.db2.gz XCIVZYNXOYNWSP-UHFFFAOYSA-N -1 1 376.380 1.792 20 0 GDADMM CNC(=O)C1(C(=O)OCc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)CCC1 ZINC000736869074 598371495 /nfs/dbraw/zinc/37/14/95/598371495.db2.gz BEHRCVWULIZPGX-UHFFFAOYSA-N -1 1 395.423 1.320 20 0 GDADMM CCc1nn(C[C@H](O)COCc2ccccc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706513 598374150 /nfs/dbraw/zinc/37/41/50/598374150.db2.gz XCXSVNPJUGYIAP-AWEZNQCLSA-N -1 1 384.440 1.126 20 0 GDADMM Cc1nn(C)c(C)c1[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737509722 598375804 /nfs/dbraw/zinc/37/58/04/598375804.db2.gz IOYWHRKFLAWHDB-CQSZACIVSA-N -1 1 388.457 1.138 20 0 GDADMM Cc1nn(C)c(C)c1[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737509722 598375806 /nfs/dbraw/zinc/37/58/06/598375806.db2.gz IOYWHRKFLAWHDB-CQSZACIVSA-N -1 1 388.457 1.138 20 0 GDADMM O=C(CN1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1)Nc1ccccc1 ZINC000737874487 598385782 /nfs/dbraw/zinc/38/57/82/598385782.db2.gz DGZRAHBGDURDQR-UHFFFAOYSA-N -1 1 379.428 1.172 20 0 GDADMM O=S(=O)(NCC1(c2ccc(Cl)cc2)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738343630 598464923 /nfs/dbraw/zinc/46/49/23/598464923.db2.gz SNLXFEDPOBGMHE-UHFFFAOYSA-N -1 1 390.856 1.925 20 0 GDADMM O=S(=O)(NCC1(c2ccc(Cl)cc2)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738343630 598464925 /nfs/dbraw/zinc/46/49/25/598464925.db2.gz SNLXFEDPOBGMHE-UHFFFAOYSA-N -1 1 390.856 1.925 20 0 GDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1csc(-c2ccc3c(c2)OCCO3)n1 ZINC000737771749 598561857 /nfs/dbraw/zinc/56/18/57/598561857.db2.gz USUKVOFQQGTGJB-UHFFFAOYSA-N -1 1 396.392 1.229 20 0 GDADMM CCc1nn(CC(=O)Nc2ccccc2OC)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705044 598641430 /nfs/dbraw/zinc/64/14/30/598641430.db2.gz CACGXNGFCURXBS-UHFFFAOYSA-N -1 1 383.412 1.196 20 0 GDADMM COc1ccc(C(C)=O)c(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737071779 598684849 /nfs/dbraw/zinc/68/48/49/598684849.db2.gz GWFHQXATIMIBPY-UHFFFAOYSA-N -1 1 392.368 1.985 20 0 GDADMM CN(C(N)=O)c1ccc(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000736740655 598695099 /nfs/dbraw/zinc/69/50/99/598695099.db2.gz DFUVCWRCGBCNFQ-UHFFFAOYSA-N -1 1 392.372 1.288 20 0 GDADMM Cn1cc([C@H]2CCCN2S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cn1 ZINC000737607423 598695237 /nfs/dbraw/zinc/69/52/37/598695237.db2.gz ZVQXZKNPQNJMRW-CQSZACIVSA-N -1 1 377.405 1.265 20 0 GDADMM COC(=O)c1ccc(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1C ZINC000736947911 598718232 /nfs/dbraw/zinc/71/82/32/598718232.db2.gz NXZOTTNTRGYYAJ-UHFFFAOYSA-N -1 1 399.415 1.021 20 0 GDADMM COC(=O)c1ccc(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1C ZINC000736947911 598718234 /nfs/dbraw/zinc/71/82/34/598718234.db2.gz NXZOTTNTRGYYAJ-UHFFFAOYSA-N -1 1 399.415 1.021 20 0 GDADMM CN(Cc1ccccc1F)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000736827997 598719329 /nfs/dbraw/zinc/71/93/29/598719329.db2.gz FGWJDJZSKORIRU-UHFFFAOYSA-N -1 1 392.394 1.979 20 0 GDADMM Cc1oc(NC(=O)COC(=O)/C=C\C2CCOCC2)c(-c2nn[n-]n2)c1C ZINC000737552431 598759211 /nfs/dbraw/zinc/75/92/11/598759211.db2.gz QCWQYOSGVXDJIW-ARJAWSKDSA-N -1 1 375.385 1.541 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCCCn1ccccc1=O ZINC000737200274 598786706 /nfs/dbraw/zinc/78/67/06/598786706.db2.gz LDPBKTILMBQJQU-UHFFFAOYSA-N -1 1 398.423 1.312 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H](c2ccc(F)cc2)C2CCC2)n(C)c1=O ZINC000737598165 598796200 /nfs/dbraw/zinc/79/62/00/598796200.db2.gz ZSCZZLUHRKJUQL-AWEZNQCLSA-N -1 1 385.403 1.357 20 0 GDADMM CC(C)c1nc([C@@H]2CCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)no1 ZINC000735939469 599293679 /nfs/dbraw/zinc/29/36/79/599293679.db2.gz JBKZZMTUYXZKIK-LBPRGKRZSA-N -1 1 390.429 1.294 20 0 GDADMM CC(C)c1nc([C@@H]2CCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)no1 ZINC000735939469 599293680 /nfs/dbraw/zinc/29/36/80/599293680.db2.gz JBKZZMTUYXZKIK-LBPRGKRZSA-N -1 1 390.429 1.294 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCS[C@@H](C)[C@@H]1C ZINC000737199734 599302275 /nfs/dbraw/zinc/30/22/75/599302275.db2.gz IZDNDRASQBQMPM-RYUDHWBXSA-N -1 1 376.486 1.869 20 0 GDADMM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C ZINC000821772790 599305840 /nfs/dbraw/zinc/30/58/40/599305840.db2.gz PVECSJIXHROBEI-UHFFFAOYSA-N -1 1 389.393 1.683 20 0 GDADMM CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)n2ncc(-c3nn[n-]n3)c2N)c1 ZINC000820050528 599318083 /nfs/dbraw/zinc/31/80/83/599318083.db2.gz BEACMZAWPYHILN-UHFFFAOYSA-N -1 1 388.819 1.972 20 0 GDADMM Cc1cc([C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)no1 ZINC000822198569 599336078 /nfs/dbraw/zinc/33/60/78/599336078.db2.gz AQOFTDNZMUGUSS-LBPRGKRZSA-N -1 1 378.389 1.828 20 0 GDADMM Cc1cc([C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)no1 ZINC000822198569 599336081 /nfs/dbraw/zinc/33/60/81/599336081.db2.gz AQOFTDNZMUGUSS-LBPRGKRZSA-N -1 1 378.389 1.828 20 0 GDADMM COCCN(Cc1ccccn1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000821690379 599338893 /nfs/dbraw/zinc/33/88/93/599338893.db2.gz JBJDLRBBVXJCEO-UHFFFAOYSA-N -1 1 392.416 1.238 20 0 GDADMM COCCN(Cc1ccccn1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000821690379 599338896 /nfs/dbraw/zinc/33/88/96/599338896.db2.gz JBJDLRBBVXJCEO-UHFFFAOYSA-N -1 1 392.416 1.238 20 0 GDADMM CCCO[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000821128237 599341721 /nfs/dbraw/zinc/34/17/21/599341721.db2.gz SABDSGGLFOZRLV-LBPRGKRZSA-N -1 1 383.449 1.976 20 0 GDADMM CCCO[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000821128237 599341724 /nfs/dbraw/zinc/34/17/24/599341724.db2.gz SABDSGGLFOZRLV-LBPRGKRZSA-N -1 1 383.449 1.976 20 0 GDADMM CCO[C@H]1C[C@H](N(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1(C)C ZINC000821358875 599345089 /nfs/dbraw/zinc/34/50/89/599345089.db2.gz LFBLCMGXFCFOLR-STQMWFEESA-N -1 1 383.449 1.830 20 0 GDADMM CCO[C@H]1C[C@H](N(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1(C)C ZINC000821358875 599345091 /nfs/dbraw/zinc/34/50/91/599345091.db2.gz LFBLCMGXFCFOLR-STQMWFEESA-N -1 1 383.449 1.830 20 0 GDADMM C[C@@H]1[C@H](C)[S@](=O)CCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000820643168 599345150 /nfs/dbraw/zinc/34/51/50/599345150.db2.gz RCLFUUQMNGKDII-HKPSDFMSSA-N -1 1 389.890 1.050 20 0 GDADMM CO[C@@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(Cl)cc1 ZINC000821676643 599356427 /nfs/dbraw/zinc/35/64/27/599356427.db2.gz CVVNPDPFSLMHMX-AWEZNQCLSA-N -1 1 394.844 1.581 20 0 GDADMM CO[C@@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(Cl)cc1 ZINC000821676643 599356429 /nfs/dbraw/zinc/35/64/29/599356429.db2.gz CVVNPDPFSLMHMX-AWEZNQCLSA-N -1 1 394.844 1.581 20 0 GDADMM Cc1ccc(N2CCC[C@@H](N(C)C(=O)c3ccc(-c4nnn[n-]4)nc3)C2)nn1 ZINC000737353267 599386461 /nfs/dbraw/zinc/38/64/61/599386461.db2.gz UMQBPCURVYLBJM-CQSZACIVSA-N -1 1 379.428 1.101 20 0 GDADMM Cc1ccc(N2CCC[C@@H](N(C)C(=O)c3ccc(-c4nn[n-]n4)nc3)C2)nn1 ZINC000737353267 599386462 /nfs/dbraw/zinc/38/64/62/599386462.db2.gz UMQBPCURVYLBJM-CQSZACIVSA-N -1 1 379.428 1.101 20 0 GDADMM O=S(=O)(C=Cc1ccccc1)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000738317415 599396184 /nfs/dbraw/zinc/39/61/84/599396184.db2.gz JXNKNOQKJCBCNA-ZROIWOOFSA-N -1 1 397.464 1.384 20 0 GDADMM O=S(=O)(C=Cc1ccccc1)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000738317415 599396187 /nfs/dbraw/zinc/39/61/87/599396187.db2.gz JXNKNOQKJCBCNA-ZROIWOOFSA-N -1 1 397.464 1.384 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC(c2ccccc2F)CC1 ZINC000738355717 599450258 /nfs/dbraw/zinc/45/02/58/599450258.db2.gz QIMJNRHMHXVEPI-UHFFFAOYSA-N -1 1 388.428 1.969 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC(c2ccccc2F)CC1 ZINC000738355717 599450260 /nfs/dbraw/zinc/45/02/60/599450260.db2.gz QIMJNRHMHXVEPI-UHFFFAOYSA-N -1 1 388.428 1.969 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@](C)(O)c1ccco1 ZINC000822535503 599451105 /nfs/dbraw/zinc/45/11/05/599451105.db2.gz UKXNKEOVIBRYSR-SFHVURJKSA-N -1 1 382.380 1.789 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@](C)(O)c1ccco1 ZINC000822535503 599451108 /nfs/dbraw/zinc/45/11/08/599451108.db2.gz UKXNKEOVIBRYSR-SFHVURJKSA-N -1 1 382.380 1.789 20 0 GDADMM CC(C)(O)COc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000735679872 599454561 /nfs/dbraw/zinc/45/45/61/599454561.db2.gz QGLMSGXVEDEXAF-UHFFFAOYSA-N -1 1 389.437 1.817 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CCCC3(CCOCC3)C2)cc1-c1nn[n-]n1 ZINC000821970643 599456388 /nfs/dbraw/zinc/45/63/88/599456388.db2.gz PTMFFSRYMLJJHD-UHFFFAOYSA-N -1 1 390.469 1.722 20 0 GDADMM Cc1ccccc1O[C@H](C)C(=O)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000737433584 599473125 /nfs/dbraw/zinc/47/31/25/599473125.db2.gz APRBXABGVXHDCR-OAHLLOKOSA-N -1 1 393.451 1.686 20 0 GDADMM Cc1ccccc1O[C@H](C)C(=O)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000737433584 599473127 /nfs/dbraw/zinc/47/31/27/599473127.db2.gz APRBXABGVXHDCR-OAHLLOKOSA-N -1 1 393.451 1.686 20 0 GDADMM CC1=C(C(=O)N(C)c2ccccc2)[C@@H](c2ccc(-c3nnn[n-]3)o2)NC(=S)N1 ZINC000820635273 599492157 /nfs/dbraw/zinc/49/21/57/599492157.db2.gz LPFYXZQPDQUPKY-OAHLLOKOSA-N -1 1 395.448 1.916 20 0 GDADMM CC1=C(C(=O)N(C)c2ccccc2)[C@@H](c2ccc(-c3nn[n-]n3)o2)NC(=S)N1 ZINC000820635273 599492159 /nfs/dbraw/zinc/49/21/59/599492159.db2.gz LPFYXZQPDQUPKY-OAHLLOKOSA-N -1 1 395.448 1.916 20 0 GDADMM CCN(CC)C(=O)C1=C(C)N(CC)C(=S)N[C@@H]1c1ccc(-c2nnn[n-]2)o1 ZINC000821170568 599492977 /nfs/dbraw/zinc/49/29/77/599492977.db2.gz SQHPGSFXAAYMBZ-CQSZACIVSA-N -1 1 389.485 1.853 20 0 GDADMM CCN(CC)C(=O)C1=C(C)N(CC)C(=S)N[C@@H]1c1ccc(-c2nn[n-]n2)o1 ZINC000821170568 599492978 /nfs/dbraw/zinc/49/29/78/599492978.db2.gz SQHPGSFXAAYMBZ-CQSZACIVSA-N -1 1 389.485 1.853 20 0 GDADMM CCN(CC)C(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccc(-c2nnn[n-]2)o1 ZINC000821170848 599492998 /nfs/dbraw/zinc/49/29/98/599492998.db2.gz XJRKDZCVZBMXDG-ZDUSSCGKSA-N -1 1 375.458 1.463 20 0 GDADMM CCN(CC)C(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccc(-c2nn[n-]n2)o1 ZINC000821170848 599492999 /nfs/dbraw/zinc/49/29/99/599492999.db2.gz XJRKDZCVZBMXDG-ZDUSSCGKSA-N -1 1 375.458 1.463 20 0 GDADMM CN([C@H]1CCOC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000736780466 599593905 /nfs/dbraw/zinc/59/39/05/599593905.db2.gz RQMFIZYQGSQFFF-VIFPVBQESA-N -1 1 377.348 1.295 20 0 GDADMM CC[C@@H](O)CCCNC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000820931614 599692034 /nfs/dbraw/zinc/69/20/34/599692034.db2.gz HHTDOWVZGQYOIC-CYBMUJFWSA-N -1 1 386.460 1.126 20 0 GDADMM CC[C@@H](O)CCCNC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000820931614 599692035 /nfs/dbraw/zinc/69/20/35/599692035.db2.gz HHTDOWVZGQYOIC-CYBMUJFWSA-N -1 1 386.460 1.126 20 0 GDADMM COc1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c(OC)c1OC ZINC000738042376 599748499 /nfs/dbraw/zinc/74/84/99/599748499.db2.gz SOICXLICKKTZPC-UHFFFAOYSA-N -1 1 383.378 1.917 20 0 GDADMM CCOc1cc2c(cc1C=CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-])O[C@@H](C)C2 ZINC000737195535 599778211 /nfs/dbraw/zinc/77/82/11/599778211.db2.gz UNLZQNZAOSXECK-HEBJMUAHSA-N -1 1 385.420 1.957 20 0 GDADMM COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N2CC[C@@H](N3CCCCC3)C2)c1 ZINC000737653904 599781249 /nfs/dbraw/zinc/78/12/49/599781249.db2.gz KTYVBWZPPUTXDZ-OAHLLOKOSA-N -1 1 396.465 1.420 20 0 GDADMM O=C([O-])CCOc1ccc(S(=O)(=O)N2CC[C@H](N3CCCCC3)C2)cc1 ZINC000739739652 599781936 /nfs/dbraw/zinc/78/19/36/599781936.db2.gz OLAUZROWFJYFIZ-HNNXBMFYSA-N -1 1 382.482 1.789 20 0 GDADMM CCN(CCNS(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1)C1CC1 ZINC000319016989 599800762 /nfs/dbraw/zinc/80/07/62/599800762.db2.gz VKXCOOUKNNPUOK-UHFFFAOYSA-N -1 1 391.287 1.910 20 0 GDADMM Cc1oc(CN(C)C(=O)CCNC(=O)c2n[nH]c3ccccc32)cc1C(=O)[O-] ZINC000738966935 599816506 /nfs/dbraw/zinc/81/65/06/599816506.db2.gz GCCQAXSXZGGPBV-UHFFFAOYSA-N -1 1 384.392 1.941 20 0 GDADMM CC(C)(C)OC(=O)Cn1cc(COC(=O)c2ccc(-c3nnn[n-]3)s2)nn1 ZINC000824100488 607402362 /nfs/dbraw/zinc/40/23/62/607402362.db2.gz RIPOMFYNHRUUMD-UHFFFAOYSA-N -1 1 391.413 1.218 20 0 GDADMM CC(C)(C)OC(=O)Cn1cc(COC(=O)c2ccc(-c3nn[n-]n3)s2)nn1 ZINC000824100488 607402363 /nfs/dbraw/zinc/40/23/63/607402363.db2.gz RIPOMFYNHRUUMD-UHFFFAOYSA-N -1 1 391.413 1.218 20 0 GDADMM CC(C)c1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cn1 ZINC000820187748 607403150 /nfs/dbraw/zinc/40/31/50/607403150.db2.gz PGUPMTIFRWFKCV-CYBMUJFWSA-N -1 1 393.455 1.526 20 0 GDADMM CC(C)c1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cn1 ZINC000820187748 607403151 /nfs/dbraw/zinc/40/31/51/607403151.db2.gz PGUPMTIFRWFKCV-CYBMUJFWSA-N -1 1 393.455 1.526 20 0 GDADMM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(NC(=O)CO)c2)c(Cl)c1 ZINC000462062418 599907732 /nfs/dbraw/zinc/90/77/32/599907732.db2.gz XOAGGBZOFDUQOS-UHFFFAOYSA-N -1 1 384.797 1.770 20 0 GDADMM Cn1cc(S(=O)(=O)Nc2cccc(CSCC(=O)[O-])c2)cc1C(N)=O ZINC000739037475 599927395 /nfs/dbraw/zinc/92/73/95/599927395.db2.gz SPOOMJHJEMFGQL-UHFFFAOYSA-N -1 1 383.451 1.243 20 0 GDADMM C[C@H](CN(CC(=O)Nc1ccc(CN2CCOCC2)cc1)C1CC1)C(=O)[O-] ZINC000736579584 599948168 /nfs/dbraw/zinc/94/81/68/599948168.db2.gz SYXIVYWIHVFZBO-OAHLLOKOSA-N -1 1 375.469 1.642 20 0 GDADMM COc1cc(C(=O)[O-])ccc1OC[C@H](O)CN1CCC[C@H]1c1cnn(C)c1 ZINC000737864242 600005853 /nfs/dbraw/zinc/00/58/53/600005853.db2.gz GCKGLYVLSVSNBO-CVEARBPZSA-N -1 1 375.425 1.704 20 0 GDADMM O=C([O-])C1CCC(NC(=O)NC[C@H](O)CN2CCc3ccccc3C2)CC1 ZINC000739402353 600031763 /nfs/dbraw/zinc/03/17/63/600031763.db2.gz JYMMNDQTOFBDGG-VJFUWPCTSA-N -1 1 375.469 1.348 20 0 GDADMM Cc1cc(NC(=O)C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)ccc1C(=O)[O-] ZINC000738415357 600044251 /nfs/dbraw/zinc/04/42/51/600044251.db2.gz LGIFSDGBOCPABP-ZIAGYGMSSA-N -1 1 377.441 1.247 20 0 GDADMM COc1ccc(-c2n[nH]c(CNC(=O)Nc3nc(CC(=O)[O-])cs3)n2)cc1 ZINC000737912516 600107782 /nfs/dbraw/zinc/10/77/82/600107782.db2.gz PZTZJHQOJPDCBS-UHFFFAOYSA-N -1 1 388.409 1.886 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/nfs/dbraw/zinc/71/99/73/602719973.db2.gz DKCRTMOELUMGSE-UHFFFAOYSA-N -1 1 385.423 1.662 20 0 GDADMM C[C@H]1CN(CC(=O)N2CCN(Cc3ccsc3)CC2)CC[C@H]1NC(=O)[O-] ZINC000739176650 602772450 /nfs/dbraw/zinc/77/24/50/602772450.db2.gz UNOAUEISAHTECF-GOEBONIOSA-N -1 1 380.514 1.370 20 0 GDADMM Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNC[C@H](NC(=O)[O-])C(C)C ZINC000740251236 602791905 /nfs/dbraw/zinc/79/19/05/602791905.db2.gz GDWOZWQTCXZOBI-YPMHNXCESA-N -1 1 392.909 1.586 20 0 GDADMM O=S(=O)(N[C@@H]1COc2ccccc2C1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826488861 607587717 /nfs/dbraw/zinc/58/77/17/607587717.db2.gz AXBGLMPYGNUBQK-NSHDSACASA-N -1 1 375.385 1.288 20 0 GDADMM O=S(=O)(N[C@@H]1COc2ccccc2C1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826488861 607587718 /nfs/dbraw/zinc/58/77/18/607587718.db2.gz AXBGLMPYGNUBQK-NSHDSACASA-N -1 1 375.385 1.288 20 0 GDADMM COCCCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826156022 607588891 /nfs/dbraw/zinc/58/88/91/607588891.db2.gz MTTYJYBGGRSVAF-UHFFFAOYSA-N -1 1 379.364 1.590 20 0 GDADMM C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccc(NC(=O)[O-])cc2[O-])CC1 ZINC000739726264 602862860 /nfs/dbraw/zinc/86/28/60/602862860.db2.gz JRGVSXWAXCODGF-HNNXBMFYSA-N -1 1 376.457 1.724 20 0 GDADMM C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccc(NC(=O)[O-])cc2[O-])CC1 ZINC000739726264 602862863 /nfs/dbraw/zinc/86/28/63/602862863.db2.gz JRGVSXWAXCODGF-HNNXBMFYSA-N -1 1 376.457 1.724 20 0 GDADMM CCOC(=O)CN(C(C)C)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825511716 607594401 /nfs/dbraw/zinc/59/44/01/607594401.db2.gz BOWJDTCNUQZVTG-UHFFFAOYSA-N -1 1 387.849 1.482 20 0 GDADMM O=C([O-])N1CC[C@@H](CN2CCN(CC(=O)Nc3ccccc3Cl)CC2)C1 ZINC000740373623 602976000 /nfs/dbraw/zinc/97/60/00/602976000.db2.gz OJLVGOFLYWIAME-AWEZNQCLSA-N -1 1 380.876 1.896 20 0 GDADMM Cn1c(=O)c2ccc(C(=O)N[C@@H]3CCC[C@H]3CNC(=O)[O-])cc2[nH]c1=S ZINC000740284291 602976497 /nfs/dbraw/zinc/97/64/97/602976497.db2.gz YRTWGFBBMVUMNO-CMPLNLGQSA-N -1 1 376.438 1.388 20 0 GDADMM C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000738629535 602978250 /nfs/dbraw/zinc/97/82/50/602978250.db2.gz HTKYIMHTSKAIIP-HUUCEWRRSA-N -1 1 378.448 1.770 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CN2CCOCC2)C1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823662726 602998619 /nfs/dbraw/zinc/99/86/19/602998619.db2.gz PJTRTHXXPWIVAJ-LZLYRXPVSA-N -1 1 375.469 1.812 20 0 GDADMM CCNC(=O)c1cccc(OS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000825476242 607603118 /nfs/dbraw/zinc/60/31/18/607603118.db2.gz CZLUCDOVUDGAOD-UHFFFAOYSA-N -1 1 391.384 1.523 20 0 GDADMM CCNC(=O)c1cccc(OS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000825476242 607603119 /nfs/dbraw/zinc/60/31/19/607603119.db2.gz CZLUCDOVUDGAOD-UHFFFAOYSA-N -1 1 391.384 1.523 20 0 GDADMM Cc1nn(C)cc1[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826334285 607607499 /nfs/dbraw/zinc/60/74/99/607607499.db2.gz OXACJHUUTPUMLV-VIFPVBQESA-N -1 1 381.849 1.602 20 0 GDADMM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000739202796 603120088 /nfs/dbraw/zinc/12/00/88/603120088.db2.gz PYIMAECOFXOPLT-CZUORRHYSA-N -1 1 376.457 1.666 20 0 GDADMM C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)c1nnc2n1CCC2 ZINC000824641056 607610979 /nfs/dbraw/zinc/61/09/79/607610979.db2.gz RUFWLWTYMLSLQZ-MRVPVSSYSA-N -1 1 394.848 1.097 20 0 GDADMM CCN(CC)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825399024 607612977 /nfs/dbraw/zinc/61/29/77/607612977.db2.gz FXILOGOMMNELGO-ZDUSSCGKSA-N -1 1 396.448 1.027 20 0 GDADMM O=S(=O)(NCCc1cccc(F)c1F)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826491342 607613909 /nfs/dbraw/zinc/61/39/09/607613909.db2.gz FBEGPKXCISDXJO-UHFFFAOYSA-N -1 1 383.355 1.805 20 0 GDADMM CCN1CCN(c2ccc(CNC(=O)N(C)CCCNC(=O)[O-])cn2)CC1 ZINC000739456107 603280438 /nfs/dbraw/zinc/28/04/38/603280438.db2.gz LYLOFDCVQMBJNH-UHFFFAOYSA-N -1 1 378.477 1.023 20 0 GDADMM COc1cc(CCNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)ccc1O ZINC000826178544 607623583 /nfs/dbraw/zinc/62/35/83/607623583.db2.gz BZVFRIMJZPUMKF-UHFFFAOYSA-N -1 1 393.400 1.241 20 0 GDADMM O=S(=O)(NC[C@@H](O)c1ccc(F)cc1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826489742 607625426 /nfs/dbraw/zinc/62/54/26/607625426.db2.gz YICSIVQUVURPIY-GFCCVEGCSA-N -1 1 381.364 1.157 20 0 GDADMM O=S(=O)(NC[C@@H](O)c1ccc(F)cc1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826489742 607625427 /nfs/dbraw/zinc/62/54/27/607625427.db2.gz YICSIVQUVURPIY-GFCCVEGCSA-N -1 1 381.364 1.157 20 0 GDADMM CCN1CCN(c2ccccc2NC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])CC1 ZINC000739457222 603384209 /nfs/dbraw/zinc/38/42/09/603384209.db2.gz PTQJNFCSUCXQPB-INIZCTEOSA-N -1 1 390.484 1.926 20 0 GDADMM O=C([O-])Nc1ccc(F)c(NC(=O)C(=O)NCCCCN2CCOCC2)c1 ZINC000740703884 603388479 /nfs/dbraw/zinc/38/84/79/603388479.db2.gz IKNYDQMIKBXITL-UHFFFAOYSA-N -1 1 382.392 1.083 20 0 GDADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)NCCCN(C)C(=O)[O-] ZINC000827418247 603393806 /nfs/dbraw/zinc/39/38/06/603393806.db2.gz LHNNVGJCRKRQBR-UHFFFAOYSA-N -1 1 393.488 1.959 20 0 GDADMM CN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000828266204 603398212 /nfs/dbraw/zinc/39/82/12/603398212.db2.gz DGFXLLPPHDXZAO-SQNIBIBYSA-N -1 1 386.448 1.998 20 0 GDADMM O=S(=O)(NC[C@@H](O)c1ccc(Cl)cc1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826489445 607627102 /nfs/dbraw/zinc/62/71/02/607627102.db2.gz PUXJXJCBLFCRFF-GFCCVEGCSA-N -1 1 397.819 1.671 20 0 GDADMM O=S(=O)(NC[C@@H](O)c1ccc(Cl)cc1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826489445 607627103 /nfs/dbraw/zinc/62/71/03/607627103.db2.gz PUXJXJCBLFCRFF-GFCCVEGCSA-N -1 1 397.819 1.671 20 0 GDADMM C[C@@H](Cc1cccc(O)c1)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824457304 607627903 /nfs/dbraw/zinc/62/79/03/607627903.db2.gz JMYIPHCBMBBGGF-JTQLQIEISA-N -1 1 377.401 1.621 20 0 GDADMM C[C@@H](Cc1cccc(O)c1)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824457304 607627904 /nfs/dbraw/zinc/62/79/04/607627904.db2.gz JMYIPHCBMBBGGF-JTQLQIEISA-N -1 1 377.401 1.621 20 0 GDADMM C[C@@](CO)(NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000824435214 607629073 /nfs/dbraw/zinc/62/90/73/607629073.db2.gz MXIWAQYUCVAXDP-INIZCTEOSA-N -1 1 377.401 1.192 20 0 GDADMM CCCc1nc([C@H]2CN(C(=O)NC[C@@H]3CCCN(C(=O)[O-])C3)CCO2)n[nH]1 ZINC000826954653 603497469 /nfs/dbraw/zinc/49/74/69/603497469.db2.gz SXEGFHOGNLHTTO-QWHCGFSZSA-N -1 1 380.449 1.230 20 0 GDADMM CCCc1n[nH]c([C@H]2CN(C(=O)NC[C@@H]3CCCN(C(=O)[O-])C3)CCO2)n1 ZINC000826954653 603497472 /nfs/dbraw/zinc/49/74/72/603497472.db2.gz SXEGFHOGNLHTTO-QWHCGFSZSA-N -1 1 380.449 1.230 20 0 GDADMM Cc1c(F)cccc1NC(=O)CCN(C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000829872458 603551524 /nfs/dbraw/zinc/55/15/24/603551524.db2.gz WJLPKAMLDTZAFC-UHFFFAOYSA-N -1 1 380.420 1.217 20 0 GDADMM CC(C)[C@@H](CCN(C)C(=O)c1ccnc(N2CCN(C)CC2)c1)NC(=O)[O-] ZINC000824099057 603574428 /nfs/dbraw/zinc/57/44/28/603574428.db2.gz MOKGITVTAHZDMT-MRXNPFEDSA-N -1 1 377.489 1.588 20 0 GDADMM C[C@H](C(=O)N1CCN(C[C@@H]2CCOC2)CC1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823668857 603583041 /nfs/dbraw/zinc/58/30/41/603583041.db2.gz IOMSDYGWOMTYQX-XYJFISCASA-N -1 1 375.469 1.812 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@@H](O)c1ccccn1 ZINC000826341069 607638763 /nfs/dbraw/zinc/63/87/63/607638763.db2.gz VKTIYOCUGVFNTN-CYBMUJFWSA-N -1 1 379.380 1.417 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@@H](O)c1ccccn1 ZINC000826341069 607638766 /nfs/dbraw/zinc/63/87/66/607638766.db2.gz VKTIYOCUGVFNTN-CYBMUJFWSA-N -1 1 379.380 1.417 20 0 GDADMM CCN(C[C@@H]1CCOC1)CN1C(=O)N[C@@]2(CCCC[C@@H]2CNC(=O)[O-])C1=O ZINC000827110713 603602702 /nfs/dbraw/zinc/60/27/02/603602702.db2.gz GGAIBAUIEJMISN-PMUMKWKESA-N -1 1 382.461 1.051 20 0 GDADMM CCN1CCN(c2ccc(CNC(=O)N3CC[C@@H](N(C)C(=O)[O-])C3)cn2)CC1 ZINC000827227771 603620461 /nfs/dbraw/zinc/62/04/61/603620461.db2.gz IXUNPFKIMPILFA-MRXNPFEDSA-N -1 1 390.488 1.117 20 0 GDADMM C[C@@H](CO)[C@@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824433532 607640829 /nfs/dbraw/zinc/64/08/29/607640829.db2.gz GNVVRNPHVQDWFK-JGVFFNPUSA-N -1 1 379.364 1.181 20 0 GDADMM C[C@@H](O)C[C@H](C)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824690723 607641389 /nfs/dbraw/zinc/64/13/89/607641389.db2.gz UWQYBHUTIRQXJP-DTWKUNHWSA-N -1 1 393.391 1.571 20 0 GDADMM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)Nc1ccc(CN2CCN(C)CC2)cc1 ZINC000826115648 603658137 /nfs/dbraw/zinc/65/81/37/603658137.db2.gz JFSRSILFGMRDOP-PBHICJAKSA-N -1 1 390.484 1.876 20 0 GDADMM C[C@@H]1CCCN(C(=O)CCNC(=O)c2n[nH]c3ccccc32)[C@@H]1CNC(=O)[O-] ZINC000825906897 603684993 /nfs/dbraw/zinc/68/49/93/603684993.db2.gz UUUVRCORRDSKHD-IUODEOHRSA-N -1 1 387.440 1.578 20 0 GDADMM COc1cc(OC)cc(N2CC[C@@H](N3CC[C@@H](CN(C)C(=O)[O-])C3)C2=O)c1 ZINC000829211377 603706301 /nfs/dbraw/zinc/70/63/01/603706301.db2.gz RDPVWCATKWVWIU-SUMWQHHRSA-N -1 1 377.441 1.741 20 0 GDADMM CCO[C@H]1C[C@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C12CCC2 ZINC000825582240 607646864 /nfs/dbraw/zinc/64/68/64/607646864.db2.gz IMCKJEADLAWWBI-KBPBESRZSA-N -1 1 381.433 1.632 20 0 GDADMM COc1ccnc(N2CCN(C(=O)[C@@H]3[C@H](C)OC(C)(C)N3C(=O)[O-])CC2)c1 ZINC000829650579 603758348 /nfs/dbraw/zinc/75/83/48/603758348.db2.gz 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Cc1cc(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)ccc1NC(=O)[O-] ZINC000829939809 605310111 /nfs/dbraw/zinc/31/01/11/605310111.db2.gz IKDOLBJTQQKODC-MRXNPFEDSA-N -1 1 376.457 1.221 20 0 GDADMM O=C([O-])N[C@@H]1CCC[C@@H]2CN(CN3C(=O)C(=O)N(C4CCCCC4)C3=O)C[C@@H]21 ZINC000834178339 605327639 /nfs/dbraw/zinc/32/76/39/605327639.db2.gz FHOWHCXHRPGFCZ-VHDGCEQUSA-N -1 1 392.456 1.436 20 0 GDADMM CC(C)OCCS(=O)(=O)Nc1ccc(-c2n[nH]c(CNC(=O)[O-])n2)cc1 ZINC000824404628 605351411 /nfs/dbraw/zinc/35/14/11/605351411.db2.gz KBVNWMSOVVZWQE-UHFFFAOYSA-N -1 1 383.430 1.406 20 0 GDADMM CC(C)OCCS(=O)(=O)Nc1ccc(-c2nc(CNC(=O)[O-])n[nH]2)cc1 ZINC000824404628 605351419 /nfs/dbraw/zinc/35/14/19/605351419.db2.gz KBVNWMSOVVZWQE-UHFFFAOYSA-N -1 1 383.430 1.406 20 0 GDADMM O=C([O-])N1CCO[C@@H](C(=O)N2CCC[C@H](c3nnc(-c4ccccc4)[nH]3)C2)C1 ZINC000834117629 605376646 /nfs/dbraw/zinc/37/66/46/605376646.db2.gz SKMJANVXORVUOS-LSDHHAIUSA-N -1 1 385.424 1.557 20 0 GDADMM COC(=O)c1cc(NC(=O)[C@H](C)N(C)C[C@@H]2CCCC[C@@H]2O)cc(C(=O)[O-])c1 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O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000832235074 605939206 /nfs/dbraw/zinc/93/92/06/605939206.db2.gz VNHNPYOUMRDQTH-WTXIUTQJSA-N -1 1 389.452 1.596 20 0 GDADMM CC(C)CN1CCO[C@@H](CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])C1 ZINC000833796769 605949573 /nfs/dbraw/zinc/94/95/73/605949573.db2.gz NPTBNJZGYYURDT-WFVVYAPDSA-N -1 1 382.505 1.658 20 0 GDADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)CN(C(=O)[O-])C1CC1 ZINC000833861543 605968811 /nfs/dbraw/zinc/96/88/11/605968811.db2.gz LNECYTIBJSLEFG-UHFFFAOYSA-N -1 1 376.457 1.918 20 0 GDADMM O=C([O-])N1CCO[C@@H](CC(=O)Nc2ccccc2CN2CCC(O)CC2)C1 ZINC000833986398 605975361 /nfs/dbraw/zinc/97/53/61/605975361.db2.gz AJBZFDCNPKXDAM-INIZCTEOSA-N -1 1 377.441 1.351 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(NC(=O)[O-])cc2[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000833839117 605994360 /nfs/dbraw/zinc/99/43/60/605994360.db2.gz YOLOWQSVFQZFIQ-XJKSGUPXSA-N -1 1 376.457 1.580 20 0 GDADMM O=C([O-])N[C@H](CC(F)F)C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000834131515 606076354 /nfs/dbraw/zinc/07/63/54/606076354.db2.gz IPUHLOMWLONXBM-ZNMIVQPWSA-N -1 1 385.411 1.277 20 0 GDADMM O=C([O-])N1CCC[C@H](OCC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)C1 ZINC000834107372 606094802 /nfs/dbraw/zinc/09/48/02/606094802.db2.gz XGYHXMAEMHZGPE-KGLIPLIRSA-N -1 1 377.445 1.547 20 0 GDADMM COC(=O)/C(C)=C/CN1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000821638785 606101706 /nfs/dbraw/zinc/10/17/06/606101706.db2.gz IBZRFVWECAMAFC-LFYBBSHMSA-N -1 1 399.411 1.356 20 0 GDADMM COC(=O)C1(NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)CCCCC1 ZINC000821654287 606134477 /nfs/dbraw/zinc/13/44/77/606134477.db2.gz ZIJKGIMYOUWMRO-UHFFFAOYSA-N -1 1 393.425 1.077 20 0 GDADMM COC(=O)C1(NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)CCCCC1 ZINC000821654287 606134478 /nfs/dbraw/zinc/13/44/78/606134478.db2.gz ZIJKGIMYOUWMRO-UHFFFAOYSA-N -1 1 393.425 1.077 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccnc(OCC(F)(F)F)c2)n1 ZINC000822620524 606158259 /nfs/dbraw/zinc/15/82/59/606158259.db2.gz VASUCYVKFISQAO-UHFFFAOYSA-N -1 1 397.321 1.258 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccnc(OCC(F)(F)F)c2)n1 ZINC000822620524 606158260 /nfs/dbraw/zinc/15/82/60/606158260.db2.gz VASUCYVKFISQAO-UHFFFAOYSA-N -1 1 397.321 1.258 20 0 GDADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1cccc(-n2cccn2)c1 ZINC000820379946 606162081 /nfs/dbraw/zinc/16/20/81/606162081.db2.gz IVJXOEHJYMUZFJ-NSHDSACASA-N -1 1 378.400 1.669 20 0 GDADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1cccc(-n2cccn2)c1 ZINC000820379946 606162083 /nfs/dbraw/zinc/16/20/83/606162083.db2.gz IVJXOEHJYMUZFJ-NSHDSACASA-N -1 1 378.400 1.669 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCN(c3cccc(F)c3F)CC2)n1 ZINC000822608623 606167160 /nfs/dbraw/zinc/16/71/60/606167160.db2.gz FOFJUGAGVWDSBG-UHFFFAOYSA-N -1 1 389.370 1.233 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCN(c3cccc(F)c3F)CC2)n1 ZINC000822608623 606167161 /nfs/dbraw/zinc/16/71/61/606167161.db2.gz FOFJUGAGVWDSBG-UHFFFAOYSA-N -1 1 389.370 1.233 20 0 GDADMM CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821222795 606170839 /nfs/dbraw/zinc/17/08/39/606170839.db2.gz ZPKBRTCDVFWRMX-UHFFFAOYSA-N -1 1 397.443 1.356 20 0 GDADMM CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821222795 606170841 /nfs/dbraw/zinc/17/08/41/606170841.db2.gz ZPKBRTCDVFWRMX-UHFFFAOYSA-N -1 1 397.443 1.356 20 0 GDADMM CCC[C@@H](CCO)CNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821020364 606194012 /nfs/dbraw/zinc/19/40/12/606194012.db2.gz BPLIELDVHJBIRJ-ZDUSSCGKSA-N -1 1 376.461 1.432 20 0 GDADMM C[C@@H]1CCc2c(F)cccc2[C@H]1Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820728436 606200542 /nfs/dbraw/zinc/20/05/42/606200542.db2.gz VSOFDASSDDFJAR-OTYXRUKQSA-N -1 1 385.403 1.139 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC[C@H](CCO)CC(C)C)cc1-c1nn[n-]n1 ZINC000821976706 606290605 /nfs/dbraw/zinc/29/06/05/606290605.db2.gz CTMODKCUJDNJRD-SNVBAGLBSA-N -1 1 380.474 1.464 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000823289442 606293427 /nfs/dbraw/zinc/29/34/27/606293427.db2.gz IYULUPVMUKIHBN-LLVKDONJSA-N -1 1 382.355 1.703 20 0 GDADMM O=C(CCN1C(=O)c2ccccc2C1=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822965054 606294401 /nfs/dbraw/zinc/29/44/01/606294401.db2.gz YGHHKUBTTBCHFB-UHFFFAOYSA-N -1 1 378.348 1.197 20 0 GDADMM CC(=O)N1C[C@@H](C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])Oc2ccccc21 ZINC000819789402 606294969 /nfs/dbraw/zinc/29/49/69/606294969.db2.gz NMXNVEFXELHGAI-INIZCTEOSA-N -1 1 380.364 1.325 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])C1=NN(c2ccccc2)C(=O)CC1 ZINC000823290521 606295947 /nfs/dbraw/zinc/29/59/47/606295947.db2.gz YHNUAEXOUOLUAY-UHFFFAOYSA-N -1 1 377.364 1.694 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000823478857 606296081 /nfs/dbraw/zinc/29/60/81/606296081.db2.gz VLBYJLVELLHXIO-CQSZACIVSA-N -1 1 379.428 1.557 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000823478857 606296083 /nfs/dbraw/zinc/29/60/83/606296083.db2.gz VLBYJLVELLHXIO-CQSZACIVSA-N -1 1 379.428 1.557 20 0 GDADMM CN(C[C@H](c1cccs1)N1CCOCC1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821596698 606299455 /nfs/dbraw/zinc/29/94/55/606299455.db2.gz RRMKPWLFAJNPAU-OAHLLOKOSA-N -1 1 399.480 1.469 20 0 GDADMM CN(C[C@H](c1cccs1)N1CCOCC1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821596698 606299457 /nfs/dbraw/zinc/29/94/57/606299457.db2.gz RRMKPWLFAJNPAU-OAHLLOKOSA-N -1 1 399.480 1.469 20 0 GDADMM CCC1(CNC(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)CC1 ZINC000820962131 606443145 /nfs/dbraw/zinc/44/31/45/606443145.db2.gz KQRGUPPZECWRQY-UHFFFAOYSA-N -1 1 386.460 1.754 20 0 GDADMM CN(c1ccc(Cl)c(-c2nnn[n-]2)n1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000821619401 606466586 /nfs/dbraw/zinc/46/65/86/606466586.db2.gz VNVKWCGYTUFRDF-QMMMGPOBSA-N -1 1 375.742 1.515 20 0 GDADMM CN(c1ccc(Cl)c(-c2nn[n-]n2)n1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000821619401 606466588 /nfs/dbraw/zinc/46/65/88/606466588.db2.gz VNVKWCGYTUFRDF-QMMMGPOBSA-N -1 1 375.742 1.515 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCCC[C@@H]2c2ccc(F)cc2)n(C)c1=O ZINC000822599129 606476053 /nfs/dbraw/zinc/47/60/53/606476053.db2.gz AEQMEOKUHRELQB-CYBMUJFWSA-N -1 1 385.403 1.135 20 0 GDADMM Cc1ccccc1CC(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000822350106 606543256 /nfs/dbraw/zinc/54/32/56/606543256.db2.gz AIDRPJUZUDJTNO-UHFFFAOYSA-N -1 1 396.476 1.764 20 0 GDADMM Cc1ccccc1CC(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000822350106 606543258 /nfs/dbraw/zinc/54/32/58/606543258.db2.gz AIDRPJUZUDJTNO-UHFFFAOYSA-N -1 1 396.476 1.764 20 0 GDADMM CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000819940376 606543431 /nfs/dbraw/zinc/54/34/31/606543431.db2.gz ZGDKCBCKMQJWPR-JTQLQIEISA-N -1 1 378.458 1.915 20 0 GDADMM CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000819940376 606543433 /nfs/dbraw/zinc/54/34/33/606543433.db2.gz ZGDKCBCKMQJWPR-JTQLQIEISA-N -1 1 378.458 1.915 20 0 GDADMM CCc1noc([C@H](C)N2CCN(C(=O)c3ccc(-c4nnn[n-]4)s3)CC2)n1 ZINC000821553475 606558763 /nfs/dbraw/zinc/55/87/63/606558763.db2.gz JKXXKCSRURKUBY-JTQLQIEISA-N -1 1 388.457 1.393 20 0 GDADMM CCc1noc([C@H](C)N2CCN(C(=O)c3ccc(-c4nn[n-]n4)s3)CC2)n1 ZINC000821553475 606558765 /nfs/dbraw/zinc/55/87/65/606558765.db2.gz JKXXKCSRURKUBY-JTQLQIEISA-N -1 1 388.457 1.393 20 0 GDADMM CN(C(=O)c1ccc(-c2nnn[n-]2)s1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000821573440 606560660 /nfs/dbraw/zinc/56/06/60/606560660.db2.gz QFVCBFQVKPMQSU-GFCCVEGCSA-N -1 1 386.412 1.945 20 0 GDADMM CN(C(=O)c1ccc(-c2nn[n-]n2)s1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000821573440 606560663 /nfs/dbraw/zinc/56/06/63/606560663.db2.gz QFVCBFQVKPMQSU-GFCCVEGCSA-N -1 1 386.412 1.945 20 0 GDADMM Cc1nc(CN2CCC[C@H](N(C)C(=O)c3ccc(-c4nnn[n-]4)s3)C2)no1 ZINC000822441417 606573457 /nfs/dbraw/zinc/57/34/57/606573457.db2.gz ZDWUFKZMFAYJQS-NSHDSACASA-N -1 1 388.457 1.356 20 0 GDADMM Cc1nc(CN2CCC[C@H](N(C)C(=O)c3ccc(-c4nn[n-]n4)s3)C2)no1 ZINC000822441417 606573460 /nfs/dbraw/zinc/57/34/60/606573460.db2.gz ZDWUFKZMFAYJQS-NSHDSACASA-N -1 1 388.457 1.356 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2c(F)cccc2OC(F)F)n1 ZINC000822619871 606579903 /nfs/dbraw/zinc/57/99/03/606579903.db2.gz IWISYFIMNAEGEH-UHFFFAOYSA-N -1 1 382.306 1.662 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2c(F)cccc2OC(F)F)n1 ZINC000822619871 606579904 /nfs/dbraw/zinc/57/99/04/606579904.db2.gz IWISYFIMNAEGEH-UHFFFAOYSA-N -1 1 382.306 1.662 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000822009731 606627217 /nfs/dbraw/zinc/62/72/17/606627217.db2.gz DAIJZRKXRFSJTR-UHFFFAOYSA-N -1 1 394.395 1.714 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N(CCCO)[C@H]2CCc3ccccc32)n1 ZINC000822604632 606642838 /nfs/dbraw/zinc/64/28/38/606642838.db2.gz IUMGZOYDNFNDDU-HNNXBMFYSA-N -1 1 382.428 1.504 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N(CCCO)[C@H]2CCc3ccccc32)n1 ZINC000822604632 606642839 /nfs/dbraw/zinc/64/28/39/606642839.db2.gz IUMGZOYDNFNDDU-HNNXBMFYSA-N -1 1 382.428 1.504 20 0 GDADMM Cc1oc(NC(=O)COC(=O)c2csc(C=O)c2)c(-c2nn[n-]n2)c1C ZINC000822549387 606643631 /nfs/dbraw/zinc/64/36/31/606643631.db2.gz YIHRBDRZSMDTKB-UHFFFAOYSA-N -1 1 375.366 1.746 20 0 GDADMM O=C(CCCNC(=O)c1ccc(F)cc1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822959067 606648335 /nfs/dbraw/zinc/64/83/35/606648335.db2.gz PWFRNZYANGPVDQ-UHFFFAOYSA-N -1 1 384.371 1.654 20 0 GDADMM O=C(CCCNC(=O)c1ccc(F)cc1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822959067 606648336 /nfs/dbraw/zinc/64/83/36/606648336.db2.gz PWFRNZYANGPVDQ-UHFFFAOYSA-N -1 1 384.371 1.654 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@]12CCC(=O)N1c1ccccc1S2 ZINC000823525827 606648425 /nfs/dbraw/zinc/64/84/25/606648425.db2.gz UQIWZUBMTOALTC-SFHVURJKSA-N -1 1 394.416 1.934 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@]12CCC(=O)N1c1ccccc1S2 ZINC000823525827 606648426 /nfs/dbraw/zinc/64/84/26/606648426.db2.gz UQIWZUBMTOALTC-SFHVURJKSA-N -1 1 394.416 1.934 20 0 GDADMM Cc1ccc(N2C[C@@H](C(=O)OCc3ccnc(-c4nnn[n-]4)c3)CC2=O)cc1 ZINC000822241495 606648668 /nfs/dbraw/zinc/64/86/68/606648668.db2.gz YCUVEVOZAOIDIA-AWEZNQCLSA-N -1 1 378.392 1.666 20 0 GDADMM Cc1ccc(N2C[C@@H](C(=O)OCc3ccnc(-c4nn[n-]n4)c3)CC2=O)cc1 ZINC000822241495 606648669 /nfs/dbraw/zinc/64/86/69/606648669.db2.gz YCUVEVOZAOIDIA-AWEZNQCLSA-N -1 1 378.392 1.666 20 0 GDADMM O=C(CSCC(=O)N1CCCCC1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823055427 606649564 /nfs/dbraw/zinc/64/95/64/606649564.db2.gz PLXUCJCUIWJJMC-UHFFFAOYSA-N -1 1 376.442 1.051 20 0 GDADMM O=C(CSCC(=O)N1CCCCC1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823055427 606649565 /nfs/dbraw/zinc/64/95/65/606649565.db2.gz PLXUCJCUIWJJMC-UHFFFAOYSA-N -1 1 376.442 1.051 20 0 GDADMM COc1cc(CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc(OC)c1OC ZINC000821712989 606651262 /nfs/dbraw/zinc/65/12/62/606651262.db2.gz PPLFVDVYJXCASE-UHFFFAOYSA-N -1 1 385.380 1.573 20 0 GDADMM COc1cc(CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc(OC)c1OC ZINC000821712989 606651263 /nfs/dbraw/zinc/65/12/63/606651263.db2.gz PPLFVDVYJXCASE-UHFFFAOYSA-N -1 1 385.380 1.573 20 0 GDADMM Cc1cccc2c(=O)n(CCC(=O)OCc3ccnc(-c4nnn[n-]4)c3)cnc12 ZINC000822333161 606652124 /nfs/dbraw/zinc/65/21/24/606652124.db2.gz ZBGFETDRDLPVFX-UHFFFAOYSA-N -1 1 391.391 1.414 20 0 GDADMM Cc1cccc2c(=O)n(CCC(=O)OCc3ccnc(-c4nn[n-]n4)c3)cnc12 ZINC000822333161 606652125 /nfs/dbraw/zinc/65/21/25/606652125.db2.gz ZBGFETDRDLPVFX-UHFFFAOYSA-N -1 1 391.391 1.414 20 0 GDADMM O=C(c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1)N1C[C@H](O)C[C@H](O)C1 ZINC000823488954 606688803 /nfs/dbraw/zinc/68/88/03/606688803.db2.gz ZKPVVJJFMKFGBX-BETUJISGSA-N -1 1 399.382 1.366 20 0 GDADMM O=C(c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1)N1C[C@H](O)C[C@H](O)C1 ZINC000823488954 606688804 /nfs/dbraw/zinc/68/88/04/606688804.db2.gz ZKPVVJJFMKFGBX-BETUJISGSA-N -1 1 399.382 1.366 20 0 GDADMM Cc1csc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)n1 ZINC000822414798 606768663 /nfs/dbraw/zinc/76/86/63/606768663.db2.gz UXAPFDXAWWOFBQ-SNVBAGLBSA-N -1 1 386.445 1.164 20 0 GDADMM Cc1csc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)n1 ZINC000822414798 606768664 /nfs/dbraw/zinc/76/86/64/606768664.db2.gz UXAPFDXAWWOFBQ-SNVBAGLBSA-N -1 1 386.445 1.164 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1ccsc1C(N)=O ZINC000822009992 606775923 /nfs/dbraw/zinc/77/59/23/606775923.db2.gz JJEWODMJDOOEBO-UHFFFAOYSA-N -1 1 387.425 1.316 20 0 GDADMM CC[C@H]1CC[C@@H](C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)O1 ZINC000820971980 606785658 /nfs/dbraw/zinc/78/56/58/606785658.db2.gz IZJIAHUDRPTSLY-STQMWFEESA-N -1 1 387.444 1.338 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NC(C1CC1)C1CC1 ZINC000820788801 606786455 /nfs/dbraw/zinc/78/64/55/606786455.db2.gz ORUAXMZVVRELDD-LLVKDONJSA-N -1 1 383.460 1.065 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NC(C1CC1)C1CC1 ZINC000820788801 606786457 /nfs/dbraw/zinc/78/64/57/606786457.db2.gz ORUAXMZVVRELDD-LLVKDONJSA-N -1 1 383.460 1.065 20 0 GDADMM C[C@@H](NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1ccccn1 ZINC000820348947 606786967 /nfs/dbraw/zinc/78/69/67/606786967.db2.gz GWSCDMJYJNROOO-CHWSQXEVSA-N -1 1 394.443 1.033 20 0 GDADMM C[C@@H](NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1ccccn1 ZINC000820348947 606786969 /nfs/dbraw/zinc/78/69/69/606786969.db2.gz GWSCDMJYJNROOO-CHWSQXEVSA-N -1 1 394.443 1.033 20 0 GDADMM CSCC[C@H](C)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821962778 606792746 /nfs/dbraw/zinc/79/27/46/606792746.db2.gz WPKJGOHFEWPILB-RYUDHWBXSA-N -1 1 391.505 1.018 20 0 GDADMM CSCC[C@H](C)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821962778 606792748 /nfs/dbraw/zinc/79/27/48/606792748.db2.gz WPKJGOHFEWPILB-RYUDHWBXSA-N -1 1 391.505 1.018 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)NC[C@@H](O)CC(C)C)c1-c1nn[n-]n1 ZINC000821990357 606816310 /nfs/dbraw/zinc/81/63/10/606816310.db2.gz RSXAYGKBMARNBU-NSHDSACASA-N -1 1 376.486 1.998 20 0 GDADMM Cc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cc1C ZINC000822226272 606820835 /nfs/dbraw/zinc/82/08/35/606820835.db2.gz KLKSAULASYRGLE-AWEZNQCLSA-N -1 1 378.440 1.624 20 0 GDADMM Cc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cc1C ZINC000822226272 606820837 /nfs/dbraw/zinc/82/08/37/606820837.db2.gz KLKSAULASYRGLE-AWEZNQCLSA-N -1 1 378.440 1.624 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)Cc1ccccc1F ZINC000820774466 606821246 /nfs/dbraw/zinc/82/12/46/606821246.db2.gz DDZBIPKZSQGCME-LBPRGKRZSA-N -1 1 382.403 1.076 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)Cc1ccccc1F ZINC000820774466 606821248 /nfs/dbraw/zinc/82/12/48/606821248.db2.gz DDZBIPKZSQGCME-LBPRGKRZSA-N -1 1 382.403 1.076 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C=Cc1cccc(F)c1 ZINC000820776701 606821464 /nfs/dbraw/zinc/82/14/64/606821464.db2.gz MRNVWWQPQPRAOK-SZZPACECSA-N -1 1 394.414 1.546 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C=Cc1cccc(F)c1 ZINC000820776701 606821466 /nfs/dbraw/zinc/82/14/66/606821466.db2.gz MRNVWWQPQPRAOK-SZZPACECSA-N -1 1 394.414 1.546 20 0 GDADMM C[C@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)c1ccccc1F ZINC000819856988 606822813 /nfs/dbraw/zinc/82/28/13/606822813.db2.gz NTFMOSHRDUKDSR-STQMWFEESA-N -1 1 396.430 1.637 20 0 GDADMM C[C@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)c1ccccc1F ZINC000819856988 606822814 /nfs/dbraw/zinc/82/28/14/606822814.db2.gz NTFMOSHRDUKDSR-STQMWFEESA-N -1 1 396.430 1.637 20 0 GDADMM COc1ccc(CN(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000821795143 606840748 /nfs/dbraw/zinc/84/07/48/606840748.db2.gz UWEDWACDMMOFQG-UHFFFAOYSA-N -1 1 377.401 1.835 20 0 GDADMM CCO[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1(C)C ZINC000821360387 606843990 /nfs/dbraw/zinc/84/39/90/606843990.db2.gz RARBMDYELFNTOY-KGLIPLIRSA-N -1 1 383.449 1.830 20 0 GDADMM CN(CCOCc1ccccc1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821604011 606848514 /nfs/dbraw/zinc/84/85/14/606848514.db2.gz ZKORKUCQHLBBKT-UHFFFAOYSA-N -1 1 391.428 1.843 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cccc(N(C)C)c1 ZINC000820788865 606855207 /nfs/dbraw/zinc/85/52/07/606855207.db2.gz PZFIDHBSJAGGLI-CYBMUJFWSA-N -1 1 393.455 1.074 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cccc(N(C)C)c1 ZINC000820788865 606855209 /nfs/dbraw/zinc/85/52/09/606855209.db2.gz PZFIDHBSJAGGLI-CYBMUJFWSA-N -1 1 393.455 1.074 20 0 GDADMM CCOc1ccccc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821430839 606855522 /nfs/dbraw/zinc/85/55/22/606855522.db2.gz GAZYUFJJFSJJIJ-CYBMUJFWSA-N -1 1 394.439 1.406 20 0 GDADMM CCOc1ccccc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821430839 606855523 /nfs/dbraw/zinc/85/55/23/606855523.db2.gz GAZYUFJJFSJJIJ-CYBMUJFWSA-N -1 1 394.439 1.406 20 0 GDADMM CCO[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C12CCC2 ZINC000821357158 606874670 /nfs/dbraw/zinc/87/46/70/606874670.db2.gz AQSBRVDYNYYXDP-LSDHHAIUSA-N -1 1 395.460 1.974 20 0 GDADMM CN(Cc1cc(Cl)cn1C)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821607681 606895600 /nfs/dbraw/zinc/89/56/00/606895600.db2.gz ZPQZYRIJUPQWPA-UHFFFAOYSA-N -1 1 384.824 1.818 20 0 GDADMM CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)s1 ZINC000819972034 606935482 /nfs/dbraw/zinc/93/54/82/606935482.db2.gz XXNPORUSLIRTSZ-UHFFFAOYSA-N -1 1 397.461 1.633 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCC2(CCC2)C1 ZINC000822459765 606958448 /nfs/dbraw/zinc/95/84/48/606958448.db2.gz VSRDLTFLJIVDQL-UHFFFAOYSA-N -1 1 380.456 1.861 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCC2(CCC2)C1 ZINC000822459765 606958449 /nfs/dbraw/zinc/95/84/49/606958449.db2.gz VSRDLTFLJIVDQL-UHFFFAOYSA-N -1 1 380.456 1.861 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CC[C@@H](Oc3ccccn3)C2)cc1-c1nn[n-]n1 ZINC000821971065 606967936 /nfs/dbraw/zinc/96/79/36/606967936.db2.gz WZIOOQHPVOMSKX-SNVBAGLBSA-N -1 1 399.436 1.378 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000823607896 607007490 /nfs/dbraw/zinc/00/74/90/607007490.db2.gz YJRSSEFPYSPTPM-BDJLRTHQSA-N -1 1 381.433 1.322 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000823607896 607007492 /nfs/dbraw/zinc/00/74/92/607007492.db2.gz YJRSSEFPYSPTPM-BDJLRTHQSA-N -1 1 381.433 1.322 20 0 GDADMM Cc1nnc(Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Br)ccc32)o1 ZINC000822509865 607039915 /nfs/dbraw/zinc/03/99/15/607039915.db2.gz FMWOWEAGPSCGAE-UHFFFAOYSA-N -1 1 388.185 1.684 20 0 GDADMM CS(=O)(=O)[N-]c1ccsc1C(=O)OCc1cc(F)ccc1-c1nn[nH]n1 ZINC000821937073 607079244 /nfs/dbraw/zinc/07/92/44/607079244.db2.gz JDKFIGDWUSXPFK-UHFFFAOYSA-N -1 1 397.413 1.796 20 0 GDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000823380501 607107741 /nfs/dbraw/zinc/10/77/41/607107741.db2.gz ZMOHZWSUPGLXBB-SNVBAGLBSA-N -1 1 389.828 1.968 20 0 GDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000823380501 607107742 /nfs/dbraw/zinc/10/77/42/607107742.db2.gz ZMOHZWSUPGLXBB-SNVBAGLBSA-N -1 1 389.828 1.968 20 0 GDADMM CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000821961226 607107951 /nfs/dbraw/zinc/10/79/51/607107951.db2.gz IFRZVQNFCIEZIZ-MRVPVSSYSA-N -1 1 399.502 1.908 20 0 GDADMM CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000821961226 607107953 /nfs/dbraw/zinc/10/79/53/607107953.db2.gz IFRZVQNFCIEZIZ-MRVPVSSYSA-N -1 1 399.502 1.908 20 0 GDADMM CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000821961227 607108149 /nfs/dbraw/zinc/10/81/49/607108149.db2.gz IFRZVQNFCIEZIZ-QMMMGPOBSA-N -1 1 399.502 1.908 20 0 GDADMM CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000821961227 607108151 /nfs/dbraw/zinc/10/81/51/607108151.db2.gz IFRZVQNFCIEZIZ-QMMMGPOBSA-N -1 1 399.502 1.908 20 0 GDADMM C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@H](c2ccsc2)O1 ZINC000820768033 607127607 /nfs/dbraw/zinc/12/76/07/607127607.db2.gz LEXFWFRIMLMYNQ-QMTHXVAHSA-N -1 1 392.466 1.474 20 0 GDADMM C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@H](c2ccsc2)O1 ZINC000820768033 607127609 /nfs/dbraw/zinc/12/76/09/607127609.db2.gz LEXFWFRIMLMYNQ-QMTHXVAHSA-N -1 1 392.466 1.474 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@@H](C)C[C@H]1CCOC1 ZINC000822459156 607134885 /nfs/dbraw/zinc/13/48/85/607134885.db2.gz NPAJIQIFYVWXID-SMDDNHRTSA-N -1 1 398.471 1.390 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@@H](C)C[C@H]1CCOC1 ZINC000822459156 607134886 /nfs/dbraw/zinc/13/48/86/607134886.db2.gz NPAJIQIFYVWXID-SMDDNHRTSA-N -1 1 398.471 1.390 20 0 GDADMM OC[C@H](CNc1nccnc1-c1nnn[n-]1)Cc1ccc(C(F)(F)F)cc1 ZINC000823706983 607176847 /nfs/dbraw/zinc/17/68/47/607176847.db2.gz TYUGCFSIBAQQTK-NSHDSACASA-N -1 1 379.346 1.939 20 0 GDADMM OC[C@H](CNc1nccnc1-c1nn[n-]n1)Cc1ccc(C(F)(F)F)cc1 ZINC000823706983 607176848 /nfs/dbraw/zinc/17/68/48/607176848.db2.gz TYUGCFSIBAQQTK-NSHDSACASA-N -1 1 379.346 1.939 20 0 GDADMM COc1cccc(Oc2ccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)cc2)c1 ZINC000821877911 607209511 /nfs/dbraw/zinc/20/95/11/607209511.db2.gz ZAMIPZBYRFQVTO-UHFFFAOYSA-N -1 1 392.379 1.898 20 0 GDADMM CC(C)CCOc1ccc([C@@H](C)NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000820076711 607212243 /nfs/dbraw/zinc/21/22/43/607212243.db2.gz RYSZDBNZGHNWLN-CYBMUJFWSA-N -1 1 384.444 1.761 20 0 GDADMM COCc1c(Br)cccc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821695040 607212771 /nfs/dbraw/zinc/21/27/71/607212771.db2.gz GEHMAHWEJFNPRU-UHFFFAOYSA-N -1 1 393.205 1.006 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccnn1[C@@H]1CCCc2ccccc21 ZINC000823135949 607213963 /nfs/dbraw/zinc/21/39/63/607213963.db2.gz BMCZEIOQJDEKKP-CQSZACIVSA-N -1 1 390.411 1.219 20 0 GDADMM CC(C)COc1ccc(C(C)(C)CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000820102922 607215049 /nfs/dbraw/zinc/21/50/49/607215049.db2.gz LUEHEBVYTZMZFO-UHFFFAOYSA-N -1 1 398.471 1.587 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(Oc2ccc(Cl)cn2)cc1 ZINC000823136053 607220586 /nfs/dbraw/zinc/22/05/86/607220586.db2.gz HTMZFZYRWGFDCY-UHFFFAOYSA-N -1 1 397.786 1.938 20 0 GDADMM CC(C)(Cc1ccc(Cl)cc1Cl)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000819987802 607220607 /nfs/dbraw/zinc/22/06/07/607220607.db2.gz MKKSNEWMOBKOQI-UHFFFAOYSA-N -1 1 395.254 1.903 20 0 GDADMM C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1cccc(OC(F)(F)F)c1 ZINC000820333643 607221866 /nfs/dbraw/zinc/22/18/66/607221866.db2.gz FLUQIKMRBLYFNL-QMMMGPOBSA-N -1 1 382.306 1.234 20 0 GDADMM O=C(C[C@H]1CCCCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC000822941542 607222099 /nfs/dbraw/zinc/22/20/99/607222099.db2.gz YUXXXDQADMPTBQ-OAHLLOKOSA-N -1 1 394.439 1.502 20 0 GDADMM COCCc1cc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)n(C)n1 ZINC000821694297 607224954 /nfs/dbraw/zinc/22/49/54/607224954.db2.gz HEVZXFKTENEEBO-UHFFFAOYSA-N -1 1 396.411 1.734 20 0 GDADMM COCCc1cc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)n(C)n1 ZINC000821694297 607224955 /nfs/dbraw/zinc/22/49/55/607224955.db2.gz HEVZXFKTENEEBO-UHFFFAOYSA-N -1 1 396.411 1.734 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCC[C@H]1C[C@H](C)O ZINC000826328254 607779215 /nfs/dbraw/zinc/77/92/15/607779215.db2.gz KUGYLKSNKZQEIZ-FZMZJTMJSA-N -1 1 398.471 1.221 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCC[C@H]1C[C@H](C)O ZINC000826328254 607779216 /nfs/dbraw/zinc/77/92/16/607779216.db2.gz KUGYLKSNKZQEIZ-FZMZJTMJSA-N -1 1 398.471 1.221 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCC1=CCCC1 ZINC000824999150 607793699 /nfs/dbraw/zinc/79/36/99/607793699.db2.gz CULXQUXWDWYOGL-ZDUSSCGKSA-N -1 1 383.460 1.377 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCC1=CCCC1 ZINC000824999150 607793700 /nfs/dbraw/zinc/79/37/00/607793700.db2.gz CULXQUXWDWYOGL-ZDUSSCGKSA-N -1 1 383.460 1.377 20 0 GDADMM Cc1ccc(Cl)cc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000826288986 607794932 /nfs/dbraw/zinc/79/49/32/607794932.db2.gz FSOUINDNCGGIGJ-LBPRGKRZSA-N -1 1 398.858 1.969 20 0 GDADMM Cc1ccc(Cl)cc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000826288986 607794933 /nfs/dbraw/zinc/79/49/33/607794933.db2.gz FSOUINDNCGGIGJ-LBPRGKRZSA-N -1 1 398.858 1.969 20 0 GDADMM Cc1nc(N2CCN(C(=O)c3ccc(-c4nnn[n-]4)s3)CC2)sc1C ZINC000826326903 607823652 /nfs/dbraw/zinc/82/36/52/607823652.db2.gz KATAPHFASQOIHW-UHFFFAOYSA-N -1 1 375.483 1.964 20 0 GDADMM Cc1nc(N2CCN(C(=O)c3ccc(-c4nn[n-]n4)s3)CC2)sc1C ZINC000826326903 607823653 /nfs/dbraw/zinc/82/36/53/607823653.db2.gz KATAPHFASQOIHW-UHFFFAOYSA-N -1 1 375.483 1.964 20 0 GDADMM Cc1cnc(CCN(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)s1 ZINC000826318355 607852943 /nfs/dbraw/zinc/85/29/43/607852943.db2.gz FJMCBPNNVKQZEJ-UHFFFAOYSA-N -1 1 382.446 1.634 20 0 GDADMM COCCc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826163360 607867800 /nfs/dbraw/zinc/86/78/00/607867800.db2.gz QWFQHXDTSNTSED-UHFFFAOYSA-N -1 1 378.385 1.962 20 0 GDADMM COCCc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826163360 607867801 /nfs/dbraw/zinc/86/78/01/607867801.db2.gz QWFQHXDTSNTSED-UHFFFAOYSA-N -1 1 378.385 1.962 20 0 GDADMM O=S(=O)(Oc1cccc(F)c1-c1nnn[n-]1)c1cccc2c1OCCO2 ZINC000826493363 607868145 /nfs/dbraw/zinc/86/81/45/607868145.db2.gz HJVBOMRXMHGGBY-UHFFFAOYSA-N -1 1 378.341 1.545 20 0 GDADMM O=S(=O)(Oc1cccc(F)c1-c1nn[n-]n1)c1cccc2c1OCCO2 ZINC000826493363 607868146 /nfs/dbraw/zinc/86/81/46/607868146.db2.gz HJVBOMRXMHGGBY-UHFFFAOYSA-N -1 1 378.341 1.545 20 0 GDADMM Cc1ccc([C@@H](OC[C@@H](O)Cn2cnc(-c3nn[n-]n3)n2)c2ccccc2)cc1 ZINC000826284545 607869078 /nfs/dbraw/zinc/86/90/78/607869078.db2.gz XAKGSKHJWXKUQT-ROUUACIJSA-N -1 1 391.435 1.934 20 0 GDADMM Cc1ccc([C@H](OC[C@@H](O)Cn2cnc(-c3nn[n-]n3)n2)c2ccccc2)cc1 ZINC000826284546 607869090 /nfs/dbraw/zinc/86/90/90/607869090.db2.gz XAKGSKHJWXKUQT-ZWKOTPCHSA-N -1 1 391.435 1.934 20 0 GDADMM CC(=O)N1CC[C@@H](NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c2ccccc21 ZINC000823974285 607960705 /nfs/dbraw/zinc/96/07/05/607960705.db2.gz OYEQIOQWIWHZDP-CYBMUJFWSA-N -1 1 381.400 1.220 20 0 GDADMM CC(=O)N1CC[C@@H](NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c2ccccc21 ZINC000823974285 607960706 /nfs/dbraw/zinc/96/07/06/607960706.db2.gz OYEQIOQWIWHZDP-CYBMUJFWSA-N -1 1 381.400 1.220 20 0 GDADMM CN(C1CCC(CO)CC1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825888922 607971351 /nfs/dbraw/zinc/97/13/51/607971351.db2.gz ZGULTMLXMNDTJR-UHFFFAOYSA-N -1 1 385.877 1.692 20 0 GDADMM CN(C1CCC(CO)CC1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825888922 607971352 /nfs/dbraw/zinc/97/13/52/607971352.db2.gz ZGULTMLXMNDTJR-UHFFFAOYSA-N -1 1 385.877 1.692 20 0 GDADMM CCn1cc(-c2nn[n-]n2)c(=O)n(C[C@@H](O)c2ccc(Cl)cc2Cl)c1=O ZINC000825796790 607981759 /nfs/dbraw/zinc/98/17/59/607981759.db2.gz NYQIZZFHVCXNCY-GFCCVEGCSA-N -1 1 397.222 1.250 20 0 GDADMM COc1cc([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1OCCO ZINC000826177746 607994348 /nfs/dbraw/zinc/99/43/48/607994348.db2.gz SYJRBANOPRXBID-JTQLQIEISA-N -1 1 389.437 1.799 20 0 GDADMM COc1cc([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1OCCO ZINC000826177746 607994349 /nfs/dbraw/zinc/99/43/49/607994349.db2.gz SYJRBANOPRXBID-JTQLQIEISA-N -1 1 389.437 1.799 20 0 GDADMM CNC(=O)c1cccc(OCC(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)c1 ZINC000826073216 608005608 /nfs/dbraw/zinc/00/56/08/608005608.db2.gz JZMANORPGGPYST-UHFFFAOYSA-N -1 1 398.427 1.195 20 0 GDADMM CNC(=O)c1cccc(OCC(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)c1 ZINC000826073216 608005609 /nfs/dbraw/zinc/00/56/09/608005609.db2.gz JZMANORPGGPYST-UHFFFAOYSA-N -1 1 398.427 1.195 20 0 GDADMM O=C(c1ccccc1O)N1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000826474536 608015815 /nfs/dbraw/zinc/01/58/15/608015815.db2.gz UPNQMDWQLGWYPQ-UHFFFAOYSA-N -1 1 391.844 1.645 20 0 GDADMM O=C(c1ccccc1O)N1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000826474536 608015816 /nfs/dbraw/zinc/01/58/16/608015816.db2.gz UPNQMDWQLGWYPQ-UHFFFAOYSA-N -1 1 391.844 1.645 20 0 GDADMM CCOC(=O)C[C@H](C)CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825498731 608026401 /nfs/dbraw/zinc/02/64/01/608026401.db2.gz BKOYXVKVCOIRCC-VIFPVBQESA-N -1 1 387.849 1.388 20 0 GDADMM CCOC(=O)C[C@H](C)CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825498731 608026402 /nfs/dbraw/zinc/02/64/02/608026402.db2.gz BKOYXVKVCOIRCC-VIFPVBQESA-N -1 1 387.849 1.388 20 0 GDADMM Cc1oc(NC(=O)[C@H](C)N2CCCC3(C2)OCCO3)c(-c2nn[n-]n2)c1C ZINC000826341823 608063951 /nfs/dbraw/zinc/06/39/51/608063951.db2.gz QYQGSRWXRWDWEM-NSHDSACASA-N -1 1 376.417 1.242 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)NCc2cncnc2N)c1-c1nn[n-]n1 ZINC000826231418 608074782 /nfs/dbraw/zinc/07/47/82/608074782.db2.gz KOANNSBAGQIOJN-UHFFFAOYSA-N -1 1 383.441 1.163 20 0 GDADMM Cc1nn(Cc2nc(-c3cccc(Cl)c3)no2)c(=O)c(-c2nn[n-]n2)c1C ZINC000826334814 608079456 /nfs/dbraw/zinc/07/94/56/608079456.db2.gz KPGIMWNHECPNCV-UHFFFAOYSA-N -1 1 384.787 1.792 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CCCOc2cccc(C(F)(F)F)c2)c1=O ZINC000826356456 608095826 /nfs/dbraw/zinc/09/58/26/608095826.db2.gz RQMZGLTYHPKDFF-UHFFFAOYSA-N -1 1 396.329 1.215 20 0 GDADMM CC(=O)NC1CCC(N(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000823989257 608126142 /nfs/dbraw/zinc/12/61/42/608126142.db2.gz RHSMJTVKZQFSGM-UHFFFAOYSA-N -1 1 396.448 1.074 20 0 GDADMM CC(=O)NC1CCC(N(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000823989257 608126143 /nfs/dbraw/zinc/12/61/43/608126143.db2.gz RHSMJTVKZQFSGM-UHFFFAOYSA-N -1 1 396.448 1.074 20 0 GDADMM O=S(=O)(NC[C@@H](O)CCc1ccccc1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826489007 608127065 /nfs/dbraw/zinc/12/70/65/608127065.db2.gz FIZNPEMDMFMYIM-ZDUSSCGKSA-N -1 1 391.428 1.278 20 0 GDADMM O=S(=O)(NC[C@@H](O)CCc1ccccc1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826489007 608127066 /nfs/dbraw/zinc/12/70/66/608127066.db2.gz FIZNPEMDMFMYIM-ZDUSSCGKSA-N -1 1 391.428 1.278 20 0 GDADMM C[C@H](Cc1ccccc1F)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824456925 608210628 /nfs/dbraw/zinc/21/06/28/608210628.db2.gz ASSABBVNVUDMTB-LLVKDONJSA-N -1 1 386.435 1.581 20 0 GDADMM C[C@H](Cc1ccccc1F)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824456925 608210630 /nfs/dbraw/zinc/21/06/30/608210630.db2.gz ASSABBVNVUDMTB-LLVKDONJSA-N -1 1 386.435 1.581 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cc(Cl)c(Cl)n1C ZINC000825934660 608211257 /nfs/dbraw/zinc/21/12/57/608211257.db2.gz PODMDRHFDNBYKE-UHFFFAOYSA-N -1 1 398.258 1.522 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cc(Cl)c(Cl)n1C ZINC000825934660 608211258 /nfs/dbraw/zinc/21/12/58/608211258.db2.gz PODMDRHFDNBYKE-UHFFFAOYSA-N -1 1 398.258 1.522 20 0 GDADMM COc1ccc([C@H](C)C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000826188285 608213486 /nfs/dbraw/zinc/21/34/86/608213486.db2.gz SGDDFHHSPRFKQX-NSHDSACASA-N -1 1 384.444 1.375 20 0 GDADMM COc1ccc([C@H](C)C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000826188285 608213487 /nfs/dbraw/zinc/21/34/87/608213487.db2.gz SGDDFHHSPRFKQX-NSHDSACASA-N -1 1 384.444 1.375 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@@H]1c1ncc[nH]1 ZINC000826232737 608213670 /nfs/dbraw/zinc/21/36/70/608213670.db2.gz GRSWSPVWWNECHY-CYBMUJFWSA-N -1 1 382.428 1.604 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@H]1c1ncc[nH]1 ZINC000826232738 608213865 /nfs/dbraw/zinc/21/38/65/608213865.db2.gz GRSWSPVWWNECHY-ZDUSSCGKSA-N -1 1 382.428 1.604 20 0 GDADMM CCC(=O)[C@@H]1CCCCN1C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000825029404 608214209 /nfs/dbraw/zinc/21/42/09/608214209.db2.gz RMZSEBNNQZVJEK-AWEZNQCLSA-N -1 1 386.456 1.877 20 0 GDADMM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1ccc(-c2nn[nH]n2)cc1F ZINC000825760426 608267194 /nfs/dbraw/zinc/26/71/94/608267194.db2.gz ZLGZZYFUOTUNKR-UHFFFAOYSA-N -1 1 379.421 1.665 20 0 GDADMM C[C@@H](C(N)=O)N(C)C(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000824052560 608271861 /nfs/dbraw/zinc/27/18/61/608271861.db2.gz PLNGGCUJUHFWSL-JTQLQIEISA-N -1 1 384.371 1.744 20 0 GDADMM C[C@@H](C(N)=O)N(C)C(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000824052560 608271862 /nfs/dbraw/zinc/27/18/62/608271862.db2.gz PLNGGCUJUHFWSL-JTQLQIEISA-N -1 1 384.371 1.744 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000826496343 608305867 /nfs/dbraw/zinc/30/58/67/608305867.db2.gz SUMJIPCTLCXWGD-CHWSQXEVSA-N -1 1 395.460 1.833 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000826496343 608305868 /nfs/dbraw/zinc/30/58/68/608305868.db2.gz SUMJIPCTLCXWGD-CHWSQXEVSA-N -1 1 395.460 1.833 20 0 GDADMM Cc1nn(-c2ccccc2)c(CN2CC[S@](=O)[C@@H](C)[C@@H]2C)c1-c1nn[n-]n1 ZINC000826332304 608315149 /nfs/dbraw/zinc/31/51/49/608315149.db2.gz PQVGBYQROSMUJA-IVAFGUPBSA-N -1 1 385.497 1.702 20 0 GDADMM C[C@H]1CCCC[C@H]1N(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824938838 608341187 /nfs/dbraw/zinc/34/11/87/608341187.db2.gz WHHGHFLQDKHYSS-WCQYABFASA-N -1 1 388.476 1.794 20 0 GDADMM C[C@H]1CCCC[C@H]1N(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824938838 608341189 /nfs/dbraw/zinc/34/11/89/608341189.db2.gz WHHGHFLQDKHYSS-WCQYABFASA-N -1 1 388.476 1.794 20 0 GDADMM CC(C)CCN(C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)C1CC1 ZINC000824243615 608341289 /nfs/dbraw/zinc/34/12/89/608341289.db2.gz KGJXVBBFCPGIMB-UHFFFAOYSA-N -1 1 388.476 1.794 20 0 GDADMM CC(C)CCN(C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)C1CC1 ZINC000824243615 608341290 /nfs/dbraw/zinc/34/12/90/608341290.db2.gz KGJXVBBFCPGIMB-UHFFFAOYSA-N -1 1 388.476 1.794 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N[C@@H]2CCCc3occc32)n1 ZINC000824148110 608341353 /nfs/dbraw/zinc/34/13/53/608341353.db2.gz MSUQROUPCPQCHJ-GFCCVEGCSA-N -1 1 398.427 1.544 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N[C@@H]2CCCc3occc32)n1 ZINC000824148110 608341355 /nfs/dbraw/zinc/34/13/55/608341355.db2.gz MSUQROUPCPQCHJ-GFCCVEGCSA-N -1 1 398.427 1.544 20 0 GDADMM COCCN1C[C@@H](C(=O)Nc2cc(C(C)(C)C)sc2-c2nnn[n-]2)CC1=O ZINC000826159600 608350229 /nfs/dbraw/zinc/35/02/29/608350229.db2.gz LCOFVNOBPTZKNR-JTQLQIEISA-N -1 1 392.485 1.659 20 0 GDADMM COCCN1C[C@@H](C(=O)Nc2cc(C(C)(C)C)sc2-c2nn[n-]n2)CC1=O ZINC000826159600 608350231 /nfs/dbraw/zinc/35/02/31/608350231.db2.gz LCOFVNOBPTZKNR-JTQLQIEISA-N -1 1 392.485 1.659 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N[C@H]2COc3ccccc32)n1 ZINC000824147646 608350700 /nfs/dbraw/zinc/35/07/00/608350700.db2.gz FRRNJUFROWAXDQ-LBPRGKRZSA-N -1 1 396.411 1.007 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N[C@H]2COc3ccccc32)n1 ZINC000824147646 608350702 /nfs/dbraw/zinc/35/07/02/608350702.db2.gz FRRNJUFROWAXDQ-LBPRGKRZSA-N -1 1 396.411 1.007 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N2CCC[C@@H]3CCC[C@@H]32)n1 ZINC000824141729 608354424 /nfs/dbraw/zinc/35/44/24/608354424.db2.gz MQSDDYFLCNRBDJ-AAEUAGOBSA-N -1 1 386.460 1.548 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N2CCC[C@@H]3CCC[C@@H]32)n1 ZINC000824141729 608354426 /nfs/dbraw/zinc/35/44/26/608354426.db2.gz MQSDDYFLCNRBDJ-AAEUAGOBSA-N -1 1 386.460 1.548 20 0 GDADMM FC(F)(F)c1cc(Cl)c2nnc(CNc3ccc(-c4nnn[n-]4)nn3)n2c1 ZINC000826368125 608394190 /nfs/dbraw/zinc/39/41/90/608394190.db2.gz CPQMAICPMGPMBZ-UHFFFAOYSA-N -1 1 396.724 1.984 20 0 GDADMM FC(F)(F)c1cc(Cl)c2nnc(CNc3ccc(-c4nn[n-]n4)nn3)n2c1 ZINC000826368125 608394192 /nfs/dbraw/zinc/39/41/92/608394192.db2.gz CPQMAICPMGPMBZ-UHFFFAOYSA-N -1 1 396.724 1.984 20 0 GDADMM Clc1ccc2nc(CN3CCN(c4ccc(-c5nnn[n-]5)nn4)CC3)cn2c1 ZINC000826352678 608405356 /nfs/dbraw/zinc/40/53/56/608405356.db2.gz KFLNOCSPYVGMSC-UHFFFAOYSA-N -1 1 396.846 1.280 20 0 GDADMM Clc1ccc2nc(CN3CCN(c4ccc(-c5nn[n-]n5)nn4)CC3)cn2c1 ZINC000826352678 608405357 /nfs/dbraw/zinc/40/53/57/608405357.db2.gz KFLNOCSPYVGMSC-UHFFFAOYSA-N -1 1 396.846 1.280 20 0 GDADMM c1nn(-c2ccccc2)cc1CN1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826519929 608414915 /nfs/dbraw/zinc/41/49/15/608414915.db2.gz UOOVFLRINHJIFK-UHFFFAOYSA-N -1 1 388.439 1.165 20 0 GDADMM COc1ccc(C)cc1NC(=O)[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC000826190146 608421465 /nfs/dbraw/zinc/42/14/65/608421465.db2.gz QWZIGHIJSMOGAI-CQSZACIVSA-N -1 1 380.412 1.581 20 0 GDADMM COc1ccc(C)cc1NC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC000826190146 608421466 /nfs/dbraw/zinc/42/14/66/608421466.db2.gz QWZIGHIJSMOGAI-CQSZACIVSA-N -1 1 380.412 1.581 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cc2ccccc2o1 ZINC000826430996 608430681 /nfs/dbraw/zinc/43/06/81/608430681.db2.gz PHFIEDXDHHYECF-CYBMUJFWSA-N -1 1 390.407 1.802 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cc2ccccc2o1 ZINC000826430996 608430684 /nfs/dbraw/zinc/43/06/84/608430684.db2.gz PHFIEDXDHHYECF-CYBMUJFWSA-N -1 1 390.407 1.802 20 0 GDADMM O=C(NC[C@@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1)Nc1ccccc1 ZINC000826435216 608436306 /nfs/dbraw/zinc/43/63/06/608436306.db2.gz IZIFDLYKXCINPH-AWEZNQCLSA-N -1 1 379.428 1.837 20 0 GDADMM O=C(NC[C@@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1)Nc1ccccc1 ZINC000826435216 608436308 /nfs/dbraw/zinc/43/63/08/608436308.db2.gz IZIFDLYKXCINPH-AWEZNQCLSA-N -1 1 379.428 1.837 20 0 GDADMM CN1C(=O)C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000826010257 608437318 /nfs/dbraw/zinc/43/73/18/608437318.db2.gz GBDMZQYDYIJSLR-WFASDCNBSA-N -1 1 388.794 1.833 20 0 GDADMM CN1C(=O)C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000826010257 608437319 /nfs/dbraw/zinc/43/73/19/608437319.db2.gz GBDMZQYDYIJSLR-WFASDCNBSA-N -1 1 388.794 1.833 20 0 GDADMM CCOc1ccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c(C)c1 ZINC000825642858 608548571 /nfs/dbraw/zinc/54/85/71/608548571.db2.gz CJUMLVXZQMHJGO-UHFFFAOYSA-N -1 1 399.459 1.976 20 0 GDADMM CCOc1ccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c(C)c1 ZINC000825642858 608548573 /nfs/dbraw/zinc/54/85/73/608548573.db2.gz CJUMLVXZQMHJGO-UHFFFAOYSA-N -1 1 399.459 1.976 20 0 GDADMM c1coc(-c2nc(-c3nn[n-]n3)c(N3CCN(Cc4cncs4)CC3)o2)c1 ZINC000826526424 608549586 /nfs/dbraw/zinc/54/95/86/608549586.db2.gz YLRSNMLWFRUDAA-UHFFFAOYSA-N -1 1 384.425 1.893 20 0 GDADMM CN1C(=O)C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)[C@H]1c1ccc(Cl)cc1 ZINC000826010267 608552786 /nfs/dbraw/zinc/55/27/86/608552786.db2.gz GNTJAXJYXYXBSI-GOEBONIOSA-N -1 1 397.826 1.617 20 0 GDADMM CN1C(=O)C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)[C@H]1c1ccc(Cl)cc1 ZINC000826010267 608552787 /nfs/dbraw/zinc/55/27/87/608552787.db2.gz GNTJAXJYXYXBSI-GOEBONIOSA-N -1 1 397.826 1.617 20 0 GDADMM C[C@@H](CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccccc1 ZINC000824385373 608556153 /nfs/dbraw/zinc/55/61/53/608556153.db2.gz RPGPTNCDOCLWFU-LBPRGKRZSA-N -1 1 396.455 1.472 20 0 GDADMM C[C@@H](CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccccc1 ZINC000824385373 608556155 /nfs/dbraw/zinc/55/61/55/608556155.db2.gz RPGPTNCDOCLWFU-LBPRGKRZSA-N -1 1 396.455 1.472 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cc(-c2cccs2)n[nH]1 ZINC000825935123 608556953 /nfs/dbraw/zinc/55/69/53/608556953.db2.gz VFQLSFUVRCSHMF-UHFFFAOYSA-N -1 1 398.456 1.328 20 0 GDADMM Cc1c(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)oc2c1C(=O)CCC2 ZINC000826234252 608558769 /nfs/dbraw/zinc/55/87/69/608558769.db2.gz OBHOPYQPRHHTJS-UHFFFAOYSA-N -1 1 398.427 1.297 20 0 GDADMM Cc1c(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)oc2c1C(=O)CCC2 ZINC000826234252 608558771 /nfs/dbraw/zinc/55/87/71/608558771.db2.gz OBHOPYQPRHHTJS-UHFFFAOYSA-N -1 1 398.427 1.297 20 0 GDADMM CC(C)c1cc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc(=O)[nH]1 ZINC000824342028 608559526 /nfs/dbraw/zinc/55/95/26/608559526.db2.gz JFPWCFGWMSJAMG-UHFFFAOYSA-N -1 1 385.432 1.101 20 0 GDADMM CC(C)c1cc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc(=O)[nH]1 ZINC000824342028 608559527 /nfs/dbraw/zinc/55/95/27/608559527.db2.gz JFPWCFGWMSJAMG-UHFFFAOYSA-N -1 1 385.432 1.101 20 0 GDADMM C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000824045031 608591453 /nfs/dbraw/zinc/59/14/53/608591453.db2.gz DOCXRFZMAKOHNN-ZDUSSCGKSA-N -1 1 399.430 1.744 20 0 GDADMM C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000824045031 608591454 /nfs/dbraw/zinc/59/14/54/608591454.db2.gz DOCXRFZMAKOHNN-ZDUSSCGKSA-N -1 1 399.430 1.744 20 0 GDADMM CCc1ncsc1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825755142 609159826 /nfs/dbraw/zinc/15/98/26/609159826.db2.gz OXRXJTAXTYWUHA-UHFFFAOYSA-N -1 1 376.450 1.287 20 0 GDADMM CCc1ncsc1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825755142 609159828 /nfs/dbraw/zinc/15/98/28/609159828.db2.gz OXRXJTAXTYWUHA-UHFFFAOYSA-N -1 1 376.450 1.287 20 0 GDADMM Brc1cc2c(cc1Cn1cnc(-c3nn[n-]n3)n1)OCCCO2 ZINC000823826453 609173250 /nfs/dbraw/zinc/17/32/50/609173250.db2.gz JNVYMFQZFFUJDJ-UHFFFAOYSA-N -1 1 378.190 1.430 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)NCc2cccc(=O)[nH]2)c1-c1nn[n-]n1 ZINC000826231230 609262524 /nfs/dbraw/zinc/26/25/24/609262524.db2.gz CNBNYLRRLSJVAI-UHFFFAOYSA-N -1 1 383.437 1.892 20 0 GDADMM NC(=O)c1cccc(CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)c1 ZINC000826393686 609279651 /nfs/dbraw/zinc/27/96/51/609279651.db2.gz DVWAZOLZSQQHKH-UHFFFAOYSA-N -1 1 378.371 1.903 20 0 GDADMM O=C(C=Cc1cnccn1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826403149 609288347 /nfs/dbraw/zinc/28/83/47/609288347.db2.gz KZRLGQPFWNXLFD-SNAWJCMRSA-N -1 1 377.343 1.633 20 0 GDADMM COc1ccnc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)c1 ZINC000826221024 609292607 /nfs/dbraw/zinc/29/26/07/609292607.db2.gz LBXKTIFJMITTSH-UHFFFAOYSA-N -1 1 380.343 1.847 20 0 GDADMM C[C@@H](Cc1ccsc1)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824465488 609300000 /nfs/dbraw/zinc/30/00/00/609300000.db2.gz QPQJJBICPIBPEK-JTQLQIEISA-N -1 1 389.489 1.439 20 0 GDADMM C[C@@H](Cc1ccsc1)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824465488 609300002 /nfs/dbraw/zinc/30/00/02/609300002.db2.gz QPQJJBICPIBPEK-JTQLQIEISA-N -1 1 389.489 1.439 20 0 GDADMM Cc1ccc([C@@H](C)NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)s1 ZINC000826283616 609300772 /nfs/dbraw/zinc/30/07/72/609300772.db2.gz WCYNLDVPSADZJC-SNVBAGLBSA-N -1 1 389.489 1.877 20 0 GDADMM Cc1ccc([C@@H](C)NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)s1 ZINC000826283616 609300775 /nfs/dbraw/zinc/30/07/75/609300775.db2.gz WCYNLDVPSADZJC-SNVBAGLBSA-N -1 1 389.489 1.877 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@H]1CCCc2[nH]ccc21 ZINC000825929504 609303765 /nfs/dbraw/zinc/30/37/65/609303765.db2.gz GYSCBPBZCDHWDS-LBPRGKRZSA-N -1 1 384.448 1.152 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@H]1CCCc2[nH]ccc21 ZINC000825929504 609303767 /nfs/dbraw/zinc/30/37/67/609303767.db2.gz GYSCBPBZCDHWDS-LBPRGKRZSA-N -1 1 384.448 1.152 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@H](c1cccnc1)C1CC1 ZINC000825929861 609309723 /nfs/dbraw/zinc/30/97/23/609309723.db2.gz MSJOLCAHPAOYPY-HNNXBMFYSA-N -1 1 396.459 1.292 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@H](c1cccnc1)C1CC1 ZINC000825929861 609309725 /nfs/dbraw/zinc/30/97/25/609309725.db2.gz MSJOLCAHPAOYPY-HNNXBMFYSA-N -1 1 396.459 1.292 20 0 GDADMM COc1cc(C)cc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000826178088 609310192 /nfs/dbraw/zinc/31/01/92/609310192.db2.gz JJIYOWVZCOHIDC-UHFFFAOYSA-N -1 1 399.459 1.263 20 0 GDADMM COc1cc(C)cc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000826178088 609310193 /nfs/dbraw/zinc/31/01/93/609310193.db2.gz JJIYOWVZCOHIDC-UHFFFAOYSA-N -1 1 399.459 1.263 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)[C@H]1CC12CCOCC2 ZINC000826458347 609314381 /nfs/dbraw/zinc/31/43/81/609314381.db2.gz MJZSNVOQXFBLQJ-LLVKDONJSA-N -1 1 383.387 1.947 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCC[C@H](OC(F)F)C1 ZINC000826494546 609321096 /nfs/dbraw/zinc/32/10/96/609321096.db2.gz HABMQPKDUCTGOG-VIFPVBQESA-N -1 1 393.803 1.912 20 0 GDADMM CN(C[C@H]1CCCC[C@H]1O)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825909151 609333456 /nfs/dbraw/zinc/33/34/56/609333456.db2.gz SFSLJRNPTJGQTF-ZYHUDNBSSA-N -1 1 385.877 1.692 20 0 GDADMM CN(C[C@H]1CCCC[C@H]1O)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825909151 609333457 /nfs/dbraw/zinc/33/34/57/609333457.db2.gz SFSLJRNPTJGQTF-ZYHUDNBSSA-N -1 1 385.877 1.692 20 0 GDADMM C[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824926014 609365896 /nfs/dbraw/zinc/36/58/96/609365896.db2.gz IIWCRQWEPKJKFQ-ZYHUDNBSSA-N -1 1 398.402 1.435 20 0 GDADMM O=S(=O)(Nc1ccccc1)[C@@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000826492991 609386166 /nfs/dbraw/zinc/38/61/66/609386166.db2.gz NXDSEXJPABJLCW-CQSZACIVSA-N -1 1 385.453 1.672 20 0 GDADMM O=S(=O)(Nc1ccccc1)[C@@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000826492991 609386169 /nfs/dbraw/zinc/38/61/69/609386169.db2.gz NXDSEXJPABJLCW-CQSZACIVSA-N -1 1 385.453 1.672 20 0 GDADMM CN(Cc1ncc(Cl)n1C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825998756 609448276 /nfs/dbraw/zinc/44/82/76/609448276.db2.gz BQSBLPXTEBBEMS-UHFFFAOYSA-N -1 1 385.812 1.213 20 0 GDADMM CN(Cc1ncc(Cl)n1C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825998756 609448278 /nfs/dbraw/zinc/44/82/78/609448278.db2.gz BQSBLPXTEBBEMS-UHFFFAOYSA-N -1 1 385.812 1.213 20 0 GDADMM CCN(C)S(=O)(=O)[N-]c1ccn(-c2ccc(Cl)cc2-c2nn[nH]n2)n1 ZINC000825390300 609456972 /nfs/dbraw/zinc/45/69/72/609456972.db2.gz CYBVYIAROYEFCV-UHFFFAOYSA-N -1 1 382.837 1.314 20 0 GDADMM CC(C)c1nc([C@@H]2CCCCCN2C(=O)Cn2cnc(-c3nn[n-]n3)n2)no1 ZINC000824358437 609504342 /nfs/dbraw/zinc/50/43/42/609504342.db2.gz JZDLTBNYVZDMCT-NSHDSACASA-N -1 1 386.420 1.109 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCC([C@H]2CCOC2)CC1 ZINC000826495471 609612050 /nfs/dbraw/zinc/61/20/50/609612050.db2.gz QBXQHGDMNYGHRX-LBPRGKRZSA-N -1 1 381.433 1.443 20 0 GDADMM Cc1nn(-c2ccccc2)c(COC(=O)[C@@H]2[C@H]3CCCO[C@H]32)c1-c1nn[n-]n1 ZINC000826332735 609623111 /nfs/dbraw/zinc/62/31/11/609623111.db2.gz FQYXJLHWSYYCDC-KBRIMQKVSA-N -1 1 380.408 1.829 20 0 GDADMM O=S(=O)(CC[N-]S(=O)(=O)c1cc2ccccc2o1)N1CCSCC1 ZINC000531247897 649988686 /nfs/dbraw/zinc/98/86/86/649988686.db2.gz AOYPMECMBKIJQU-UHFFFAOYSA-N -1 1 390.508 1.090 20 0 GDADMM O=S(=O)([N-]C[C@@H](O)[C@@H]1CCOC1)c1cc(Br)sc1Cl ZINC000533093217 650041382 /nfs/dbraw/zinc/04/13/82/650041382.db2.gz DIQDKWTZRMFLSQ-RNFRBKRXSA-N -1 1 390.708 1.840 20 0 GDADMM COC(=O)c1sc(S(=O)(=O)[N-]c2[nH]nc(C)c2C)c(C(=O)OC)c1C ZINC000533497299 650055014 /nfs/dbraw/zinc/05/50/14/650055014.db2.gz NGGWGKQZHHZLMG-UHFFFAOYSA-N -1 1 387.439 1.770 20 0 GDADMM C[C@H](C[N-]S(=O)(=O)c1cc(Br)sc1Cl)S(C)(=O)=O ZINC000533608157 650210449 /nfs/dbraw/zinc/21/04/49/650210449.db2.gz OEIIRQVSFGLBMV-RXMQYKEDSA-N -1 1 396.737 1.875 20 0 GDADMM Cc1nc(S(=O)(=O)[N-]C[C@@H]2C[C@@H](O)CN2Cc2ccccc2)sc1C ZINC000534821586 650231634 /nfs/dbraw/zinc/23/16/34/650231634.db2.gz YGCKZLHMZBXOJR-JKSUJKDBSA-N -1 1 381.523 1.674 20 0 GDADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)CCSC)c(OC)c1 ZINC000534900709 650234521 /nfs/dbraw/zinc/23/45/21/650234521.db2.gz VOFKMWNUTZDSTO-UHFFFAOYSA-N -1 1 396.556 1.830 20 0 GDADMM COC(=O)[C@H](CC(F)F)NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000534941369 650236170 /nfs/dbraw/zinc/23/61/70/650236170.db2.gz ZBPACOJIGBGXAL-QMMMGPOBSA-N -1 1 382.385 1.283 20 0 GDADMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2csc(Br)c2)co1 ZINC000535917313 650260666 /nfs/dbraw/zinc/26/06/66/650260666.db2.gz DKEPHZVEYIPBOM-UHFFFAOYSA-N -1 1 379.257 1.942 20 0 GDADMM NC(=O)CC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000536203761 650267113 /nfs/dbraw/zinc/26/71/13/650267113.db2.gz KLUPIVSXDNRBLK-UHFFFAOYSA-N -1 1 383.813 1.660 20 0 GDADMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)[C@@H]1CSc2ccccc21 ZINC000536600700 650273451 /nfs/dbraw/zinc/27/34/51/650273451.db2.gz JKFGVTDFHGJDGR-LLVKDONJSA-N -1 1 399.519 1.441 20 0 GDADMM O=S(=O)([N-][C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1)c1cc2ccccc2o1 ZINC000538284796 650307668 /nfs/dbraw/zinc/30/76/68/650307668.db2.gz GRIIXVLFRIWTEI-CZUORRHYSA-N -1 1 385.463 1.447 20 0 GDADMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(S(N)(=O)=O)c(F)c3)ccc2O1 ZINC000538938175 650325831 /nfs/dbraw/zinc/32/58/31/650325831.db2.gz CYTQKCVJRPPQEI-VIFPVBQESA-N -1 1 386.426 1.597 20 0 GDADMM CCS(=O)(=O)c1cccc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])c1 ZINC000539705344 650338595 /nfs/dbraw/zinc/33/85/95/650338595.db2.gz DGKCFPLEUSMCQG-UHFFFAOYSA-N -1 1 384.435 1.086 20 0 GDADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](C)COC)c(OC)c1 ZINC000539860165 650341459 /nfs/dbraw/zinc/34/14/59/650341459.db2.gz XGNIOKPMBWLAGH-LLVKDONJSA-N -1 1 380.488 1.160 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(I)c([O-])c2)CC[S@]1=O ZINC000546200530 650474331 /nfs/dbraw/zinc/47/43/31/650474331.db2.gz PZJQVEQWXCEWGN-NTCNTBNZSA-N -1 1 379.219 1.590 20 0 GDADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCOCC3(CCC3)C2)c(F)c1 ZINC000546783982 650486349 /nfs/dbraw/zinc/48/63/49/650486349.db2.gz ZQULRVNKUKYFNO-UHFFFAOYSA-N -1 1 392.474 1.388 20 0 GDADMM COC(=O)[C@@H](C)CS(=O)(=O)[N-][C@H](C(=O)OC)c1ccc(OC)c(Cl)c1 ZINC000547440098 650498327 /nfs/dbraw/zinc/49/83/27/650498327.db2.gz RIOAXVJAJRSAPT-ZANVPECISA-N -1 1 393.845 1.291 20 0 GDADMM Cn1cc(S(=O)(=O)[N-]C[C@@H](O)COc2ccccc2)c(C(F)(F)F)n1 ZINC000549771113 650582426 /nfs/dbraw/zinc/58/24/26/650582426.db2.gz FKLFTJGHBOZADU-SNVBAGLBSA-N -1 1 379.360 1.157 20 0 GDADMM C[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2nc(-c3cccs3)no2)co1 ZINC000552580435 650629237 /nfs/dbraw/zinc/62/92/37/650629237.db2.gz FYYIWIZQEOSOMS-UHFFFAOYSA-N -1 1 382.423 1.571 20 0 GDADMM COc1cc(NC(=O)C(=O)NCc2ccsc2)ccc1[N-]S(C)(=O)=O ZINC000552702947 650631842 /nfs/dbraw/zinc/63/18/42/650631842.db2.gz AUIDXZQMPRUPMF-UHFFFAOYSA-N -1 1 383.451 1.383 20 0 GDADMM O=C(NC1(Cc2ccccc2Br)CC1)c1cc(=O)n2[n-]cnc2n1 ZINC000553786433 650657546 /nfs/dbraw/zinc/65/75/46/650657546.db2.gz GUWLQYVWZIUXOU-UHFFFAOYSA-N -1 1 388.225 1.685 20 0 GDADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)o1 ZINC000554026691 650666744 /nfs/dbraw/zinc/66/67/44/650666744.db2.gz LBQTUVVIBYUGPJ-UHFFFAOYSA-N -1 1 385.785 1.424 20 0 GDADMM Cn1cnc(NC(=O)c2c[n-]c3ccc(I)cc3c2=O)n1 ZINC000554226631 650671446 /nfs/dbraw/zinc/67/14/46/650671446.db2.gz QELWFEUXRLDXMK-UHFFFAOYSA-N -1 1 395.160 1.514 20 0 GDADMM 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659631648 /nfs/dbraw/zinc/63/16/48/659631648.db2.gz DRLDHRVJQLWIFN-NSHDSACASA-N -1 1 382.404 1.347 20 0 GDADMM CCN1CCN(CC(C)(C)NS(=O)(=O)c2cc(C(=O)[O-])cs2)CC1 ZINC000907009219 659641696 /nfs/dbraw/zinc/64/16/96/659641696.db2.gz XYCDPOLCKOFXGB-UHFFFAOYSA-N -1 1 375.516 1.141 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)[N-]C[C@]2([NH+](C)C)CCSC2)oc1Cl ZINC000907019182 659644493 /nfs/dbraw/zinc/64/44/93/659644493.db2.gz FOFKANALOLIKMD-CYBMUJFWSA-N -1 1 382.891 1.435 20 0 GDADMM O=C(c1cc(Br)cn(C2CC2)c1=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000907102964 659667430 /nfs/dbraw/zinc/66/74/30/659667430.db2.gz CYZWDYOAMKRBBY-VIFPVBQESA-N -1 1 393.245 1.479 20 0 GDADMM O=C(c1c(Br)nc2n1CCC2)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907481290 659762038 /nfs/dbraw/zinc/76/20/38/659762038.db2.gz VAXQBDBFQUCXOJ-ZETCQYMHSA-N -1 1 384.263 1.035 20 0 GDADMM CC[C@@](C)([N-]S(=O)(=O)c1c(Br)ccc(OC)c1F)C(N)=O ZINC000907702101 659813136 /nfs/dbraw/zinc/81/31/36/659813136.db2.gz IARPFENSYAXBNY-GFCCVEGCSA-N -1 1 383.239 1.529 20 0 GDADMM C[C@H](CC(=O)N1CCC(O)(c2nn[n-]n2)CC1)c1ccc(Br)cc1 ZINC000907943954 659847220 /nfs/dbraw/zinc/84/72/20/659847220.db2.gz NPTANIYLYKYNPT-LLVKDONJSA-N -1 1 394.273 1.966 20 0 GDADMM COCCO[C@]12CCC[C@@]1([N-]S(=O)(=O)Cc1csc(C)n1)CCO2 ZINC000908047230 659860262 /nfs/dbraw/zinc/86/02/62/659860262.db2.gz JYOGEESGDWAVII-HUUCEWRRSA-N -1 1 376.500 1.573 20 0 GDADMM Cn1cc([C@@]2(C[N-]S(=O)(=O)c3ccc(Br)o3)CCCO2)cn1 ZINC000908108833 659871337 /nfs/dbraw/zinc/87/13/37/659871337.db2.gz OGHRPSNITBRWAD-ZDUSSCGKSA-N -1 1 390.259 1.760 20 0 GDADMM COC(=O)C[C@H](C)[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000908574972 659926012 /nfs/dbraw/zinc/92/60/12/659926012.db2.gz RFOWFLGTTLHUBQ-ZETCQYMHSA-N -1 1 384.223 1.827 20 0 GDADMM O=S(=O)([N-][C@H]1CCc2ncc(Br)n2C1)c1ccc(F)nc1F ZINC000908624863 659928093 /nfs/dbraw/zinc/92/80/93/659928093.db2.gz GVUXVIVJPUMXJO-ZETCQYMHSA-N -1 1 393.213 1.612 20 0 GDADMM CN1CCN(C)[C@@H](CNC(=O)N[C@@H](C(=O)[O-])c2ccc(Br)cc2)C1 ZINC000908988639 659937723 /nfs/dbraw/zinc/93/77/23/659937723.db2.gz XCSKDRPANVOGJS-UONOGXRCSA-N -1 1 399.289 1.120 20 0 GDADMM O=C([O-])[C@@H]1CCC[N@@H+](CC(=O)N2CCOc3cc(Br)ccc3C2)C1 ZINC000909997893 659961017 /nfs/dbraw/zinc/96/10/17/659961017.db2.gz AOZLPGLJEAGNPY-CYBMUJFWSA-N -1 1 397.269 1.967 20 0 GDADMM O=C([O-])[C@@H]1CCCN(CC(=O)N2CCOc3cc(Br)ccc3C2)C1 ZINC000909997893 659961019 /nfs/dbraw/zinc/96/10/19/659961019.db2.gz AOZLPGLJEAGNPY-CYBMUJFWSA-N -1 1 397.269 1.967 20 0 GDADMM CS(C)(=O)=NC(=O)C[N-]C(=O)C(F)(F)c1ncccc1Br ZINC000911273092 660001256 /nfs/dbraw/zinc/00/12/56/660001256.db2.gz HVFUWBREFMCIBN-UHFFFAOYSA-N -1 1 384.202 1.306 20 0 GDADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]Cc1ccsc1Br ZINC000912549112 660042267 /nfs/dbraw/zinc/04/22/67/660042267.db2.gz DACPEHGBSJZRGR-UHFFFAOYSA-N -1 1 380.245 1.499 20 0 GDADMM O=C(COCCc1ccc(Br)cc1)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913493918 660082484 /nfs/dbraw/zinc/08/24/84/660082484.db2.gz MUDQTMFZDKLCQL-ZDUSSCGKSA-N -1 1 396.245 1.121 20 0 GDADMM Cc1cc(CCC(=O)N2CCOC[C@@H]2c2nn[n-]n2)ccc1Br ZINC000913494412 660082741 /nfs/dbraw/zinc/08/27/41/660082741.db2.gz ADUIWKMQQYEZFG-CYBMUJFWSA-N -1 1 380.246 1.803 20 0 GDADMM O=C(Cc1cc(C(F)(F)F)cc(Cl)n1)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913496696 660083382 /nfs/dbraw/zinc/08/33/82/660083382.db2.gz ALVMFSXLKHHWEL-VIFPVBQESA-N -1 1 376.726 1.410 20 0 GDADMM O=C(Cc1c[nH]c2ccc(Br)cc12)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913498931 660083934 /nfs/dbraw/zinc/08/39/34/660083934.db2.gz LAHZEWPHLAQIES-CYBMUJFWSA-N -1 1 391.229 1.586 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-]Cc2nonc2C)c1F ZINC000914195990 660125959 /nfs/dbraw/zinc/12/59/59/660125959.db2.gz DLIVVBDKZSFWDZ-UHFFFAOYSA-N -1 1 380.195 1.767 20 0 GDADMM O=S(=O)(N=[S@@](=O)(c1ccccc1)C(F)(F)F)[N-][C@@H]1C=C[C@H](CO)C1 ZINC000914221188 660128494 /nfs/dbraw/zinc/12/84/94/660128494.db2.gz UYURJFMZCIKNQO-XMWNIVNYSA-N -1 1 384.401 1.805 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-]CCCCC(N)=O)c1F ZINC000914322564 660139502 /nfs/dbraw/zinc/13/95/02/660139502.db2.gz LYXLUKHTJWVZSB-UHFFFAOYSA-N -1 1 383.239 1.531 20 0 GDADMM COc1nn2cc(Br)cnc2c1S(=O)(=O)[N-][C@@H]1CC[C@@H](C)C1 ZINC000914412610 660148181 /nfs/dbraw/zinc/14/81/81/660148181.db2.gz XELWPSHODRZACY-PSASIEDQSA-N -1 1 389.275 1.967 20 0 GDADMM O=C(c1cc(Cl)ccc1Br)N1CCC(O)(c2nn[n-]n2)CC1 ZINC000798144845 677679270 /nfs/dbraw/zinc/67/92/70/677679270.db2.gz CIAGGZCQCHALMH-UHFFFAOYSA-N -1 1 386.637 1.739 20 0 GDADMM C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC000798148237 677679318 /nfs/dbraw/zinc/67/93/18/677679318.db2.gz UAEADHGXJNUXKQ-SECBINFHSA-N -1 1 386.239 1.784 20 0 GDADMM CC(C)CN1CCO[C@H](CNC(=O)N[C@]2(C(=O)[O-])CCc3ccccc32)C1 ZINC000908759090 939314987 /nfs/dbraw/zinc/31/49/87/939314987.db2.gz YGMDSEOHDLZPGR-OXQOHEQNSA-N -1 1 375.469 1.569 20 0 GDADMM CN1CCN(Cc2ccc(C(=O)N[C@@H](C(=O)[O-])c3cccc(O)c3)cc2)CC1 ZINC000911444387 939773151 /nfs/dbraw/zinc/77/31/51/939773151.db2.gz YZDYLPKBODDKQB-LJQANCHMSA-N -1 1 383.448 1.695 20 0 GDADMM O=S(=O)(Cc1csc(-c2nn[n-]n2)c1)NCCc1cccc(F)c1F ZINC001571258653 945362567 /nfs/dbraw/zinc/36/25/67/945362567.db2.gz YLFVNCMHPNYARK-UHFFFAOYSA-N -1 1 385.421 1.869 20 0 GDADMM Cn1nccc1[C@H]1c2[nH]cnc2CCN1C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001601038346 970920383 /nfs/dbraw/zinc/92/03/83/970920383.db2.gz SBSCVFMEIZNPFJ-SFHVURJKSA-N -1 1 381.392 1.395 20 0 GDADMM CC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)Cc2cscn2)CC1 ZINC001571261825 945430982 /nfs/dbraw/zinc/43/09/82/945430982.db2.gz JNMDPZITUDFMBZ-UHFFFAOYSA-N -1 1 385.457 1.149 20 0 GDADMM CC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)Cc2cscn2)CC1 ZINC001571261825 945430987 /nfs/dbraw/zinc/43/09/87/945430987.db2.gz JNMDPZITUDFMBZ-UHFFFAOYSA-N -1 1 385.457 1.149 20 0 GDADMM CCN(C(=O)c1cnc(C)s1)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571261888 945433673 /nfs/dbraw/zinc/43/36/73/945433673.db2.gz LMMGTGMYVVKPBU-NSHDSACASA-N -1 1 385.457 1.163 20 0 GDADMM CCN(C(=O)c1cnc(C)s1)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571261888 945433679 /nfs/dbraw/zinc/43/36/79/945433679.db2.gz LMMGTGMYVVKPBU-NSHDSACASA-N -1 1 385.457 1.163 20 0 GDADMM C[C@H](NC(=O)c1cncs1)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571262016 945433845 /nfs/dbraw/zinc/43/38/45/945433845.db2.gz MDXNPYMAJZEHIS-QWRGUYRKSA-N -1 1 385.457 1.148 20 0 GDADMM C[C@H](NC(=O)c1cncs1)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571262016 945433851 /nfs/dbraw/zinc/43/38/51/945433851.db2.gz MDXNPYMAJZEHIS-QWRGUYRKSA-N -1 1 385.457 1.148 20 0 GDADMM Cc1nsc(N2CC[C@@H]3[C@H]2CCCN3C(=O)c2cn[nH]c2)c1-c1nn[n-]n1 ZINC001571262855 945443699 /nfs/dbraw/zinc/44/36/99/945443699.db2.gz AMSYUCZQLSSSAK-VXGBXAGGSA-N -1 1 385.457 1.238 20 0 GDADMM Cc1ncsc1C(=O)NC1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001571262962 945448086 /nfs/dbraw/zinc/44/80/86/945448086.db2.gz DESUZRXKCXZEFS-UHFFFAOYSA-N -1 1 385.457 1.575 20 0 GDADMM Cc1ncsc1C(=O)NC1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001571262962 945448089 /nfs/dbraw/zinc/44/80/89/945448089.db2.gz DESUZRXKCXZEFS-UHFFFAOYSA-N -1 1 385.457 1.575 20 0 GDADMM Cc1nsc(N[C@@H]2CCCC[C@H]2NC(=O)c2ccnnc2)c1-c1nn[n-]n1 ZINC001571263082 945449793 /nfs/dbraw/zinc/44/97/93/945449793.db2.gz HAUDOIDAAVAOIF-VXGBXAGGSA-N -1 1 385.457 1.575 20 0 GDADMM Cc1nsc(NC2CCC(NC(=O)c3ccnnc3)CC2)c1-c1nn[n-]n1 ZINC001571263312 945455794 /nfs/dbraw/zinc/45/57/94/945455794.db2.gz MOXSSIQFFLJIPY-UHFFFAOYSA-N -1 1 385.457 1.575 20 0 GDADMM Cc1nscc1C(=O)N[C@H]1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571263573 945461292 /nfs/dbraw/zinc/46/12/92/945461292.db2.gz UGADSYIFOVAJQI-MNOVXSKESA-N -1 1 385.457 1.575 20 0 GDADMM Cc1nscc1C(=O)N[C@H]1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571263573 945461295 /nfs/dbraw/zinc/46/12/95/945461295.db2.gz UGADSYIFOVAJQI-MNOVXSKESA-N -1 1 385.457 1.575 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H]([C@@H](C)Nc3nccnc3-c3nnn[n-]3)C2)ns1 ZINC001571263689 945466252 /nfs/dbraw/zinc/46/62/52/945466252.db2.gz WWNRRVJCJUCSEK-GHMZBOCLSA-N -1 1 385.457 1.384 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H]([C@@H](C)Nc3nccnc3-c3nn[n-]n3)C2)ns1 ZINC001571263689 945466257 /nfs/dbraw/zinc/46/62/57/945466257.db2.gz WWNRRVJCJUCSEK-GHMZBOCLSA-N -1 1 385.457 1.384 20 0 GDADMM Cc1nc(C(=O)N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)sc1C ZINC001571263847 945469928 /nfs/dbraw/zinc/46/99/28/945469928.db2.gz YGQGCBGCXQBCHV-NSHDSACASA-N -1 1 385.457 1.447 20 0 GDADMM Cc1nc(C(=O)N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)sc1C ZINC001571263847 945469929 /nfs/dbraw/zinc/46/99/29/945469929.db2.gz YGQGCBGCXQBCHV-NSHDSACASA-N -1 1 385.457 1.447 20 0 GDADMM Cc1nsc(N2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3N(C(=O)C3CC3)C2)c1-c1nn[n-]n1 ZINC001571265305 945506385 /nfs/dbraw/zinc/50/63/85/945506385.db2.gz GUGQYWYKCXSKLK-XUXIUFHCSA-N -1 1 385.497 1.715 20 0 GDADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CCN(c2c(F)cccc2F)CC1 ZINC001571267030 945558326 /nfs/dbraw/zinc/55/83/26/945558326.db2.gz GWTXDRAVEYEFRI-UHFFFAOYSA-N -1 1 386.366 1.894 20 0 GDADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CCN(c2c(F)cccc2F)CC1 ZINC001571267030 945558334 /nfs/dbraw/zinc/55/83/34/945558334.db2.gz GWTXDRAVEYEFRI-UHFFFAOYSA-N -1 1 386.366 1.894 20 0 GDADMM O=C(N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)c1c(F)cccc1F ZINC001571267243 945565201 /nfs/dbraw/zinc/56/52/01/945565201.db2.gz NTEGNPPPMSWBID-JTQLQIEISA-N -1 1 386.366 1.334 20 0 GDADMM O=C(N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)c1c(F)cccc1F ZINC001571267243 945565207 /nfs/dbraw/zinc/56/52/07/945565207.db2.gz NTEGNPPPMSWBID-JTQLQIEISA-N -1 1 386.366 1.334 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c(F)c1F ZINC001571267420 945568624 /nfs/dbraw/zinc/56/86/24/945568624.db2.gz UTVGFAMSPSFKIV-JTQLQIEISA-N -1 1 386.366 1.570 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c(F)c1F ZINC001571267420 945568625 /nfs/dbraw/zinc/56/86/25/945568625.db2.gz UTVGFAMSPSFKIV-JTQLQIEISA-N -1 1 386.366 1.570 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cccc(C(F)F)c1 ZINC001571267497 945570989 /nfs/dbraw/zinc/57/09/89/945570989.db2.gz XHTZSIZWMSCKCQ-TXEJJXNPSA-N -1 1 386.366 1.967 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cccc(C(F)F)c1 ZINC001571267497 945570994 /nfs/dbraw/zinc/57/09/94/945570994.db2.gz XHTZSIZWMSCKCQ-TXEJJXNPSA-N -1 1 386.366 1.967 20 0 GDADMM O=C(c1cc(F)ccc1F)N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571267576 945572864 /nfs/dbraw/zinc/57/28/64/945572864.db2.gz ZBKYVKKDUKANSJ-UHFFFAOYSA-N -1 1 386.366 1.652 20 0 GDADMM O=C(c1cc(F)ccc1F)N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571267576 945572875 /nfs/dbraw/zinc/57/28/75/945572875.db2.gz ZBKYVKKDUKANSJ-UHFFFAOYSA-N -1 1 386.366 1.652 20 0 GDADMM O=C(c1ccc(F)cc1F)N1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571267600 945575069 /nfs/dbraw/zinc/57/50/69/945575069.db2.gz ZMQFRGDAVVXDRJ-SNVBAGLBSA-N -1 1 386.366 1.509 20 0 GDADMM O=C(c1ccc(F)cc1F)N1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571267600 945575074 /nfs/dbraw/zinc/57/50/74/945575074.db2.gz ZMQFRGDAVVXDRJ-SNVBAGLBSA-N -1 1 386.366 1.509 20 0 GDADMM O=C(c1cnns1)N1CCCC[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001571270267 945632891 /nfs/dbraw/zinc/63/28/91/945632891.db2.gz OTBARUMJRDOVBA-JTQLQIEISA-N -1 1 386.445 1.005 20 0 GDADMM O=C(c1cnns1)N1CCCC[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001571270267 945632894 /nfs/dbraw/zinc/63/28/94/945632894.db2.gz OTBARUMJRDOVBA-JTQLQIEISA-N -1 1 386.445 1.005 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2Cc3c[nH]nc3C[C@@H](C)C2)cc1-c1nn[n-]n1 ZINC001571270700 945641240 /nfs/dbraw/zinc/64/12/40/945641240.db2.gz ZDQBSNGZACJRLM-MRVPVSSYSA-N -1 1 386.441 1.247 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N(C)[C@H]2CCN(C(=O)[C@@H](C)C(C)(C)C)C2)n1 ZINC001571272087 945655628 /nfs/dbraw/zinc/65/56/28/945655628.db2.gz PCCJYFMXVFWFIF-OLZOCXBDSA-N -1 1 386.504 1.938 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N(C)[C@H]2CCN(C(=O)[C@@H](C)C(C)(C)C)C2)n1 ZINC001571272087 945655634 /nfs/dbraw/zinc/65/56/34/945655634.db2.gz PCCJYFMXVFWFIF-OLZOCXBDSA-N -1 1 386.504 1.938 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N(C)[C@@H]2CCN(C(=O)[C@@H](C)C(C)(C)C)C2)n1 ZINC001571272086 945656387 /nfs/dbraw/zinc/65/63/87/945656387.db2.gz PCCJYFMXVFWFIF-CHWSQXEVSA-N -1 1 386.504 1.938 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N(C)[C@@H]2CCN(C(=O)[C@@H](C)C(C)(C)C)C2)n1 ZINC001571272086 945656391 /nfs/dbraw/zinc/65/63/91/945656391.db2.gz PCCJYFMXVFWFIF-CHWSQXEVSA-N -1 1 386.504 1.938 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCCN(C(=O)CC[C@H]3CCCO3)C2)n1 ZINC001571272461 945664021 /nfs/dbraw/zinc/66/40/21/945664021.db2.gz FFRJRBWDBLOVLL-UONOGXRCSA-N -1 1 386.460 1.327 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCCN(C(=O)CC[C@H]3CCCO3)C2)n1 ZINC001571272461 945664025 /nfs/dbraw/zinc/66/40/25/945664025.db2.gz FFRJRBWDBLOVLL-UONOGXRCSA-N -1 1 386.460 1.327 20 0 GDADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCN(C(=O)CC[C@H]2CCCCO2)C1 ZINC001571272648 945667581 /nfs/dbraw/zinc/66/75/81/945667581.db2.gz GXFAQGHPNBAWSF-ZIAGYGMSSA-N -1 1 386.460 1.043 20 0 GDADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCN(C(=O)CC[C@H]2CCCCO2)C1 ZINC001571272648 945667583 /nfs/dbraw/zinc/66/75/83/945667583.db2.gz GXFAQGHPNBAWSF-ZIAGYGMSSA-N -1 1 386.460 1.043 20 0 GDADMM O=C(CC1CCOCC1)N1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571273082 945679714 /nfs/dbraw/zinc/67/97/14/945679714.db2.gz OQGNUKBFDXBKKR-AWEZNQCLSA-N -1 1 386.460 1.124 20 0 GDADMM O=C(CC1CCOCC1)N1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571273082 945679719 /nfs/dbraw/zinc/67/97/19/945679719.db2.gz OQGNUKBFDXBKKR-AWEZNQCLSA-N -1 1 386.460 1.124 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCN(C(=O)[C@]3(C)CCCOC3)C2)n1 ZINC001571273485 945690162 /nfs/dbraw/zinc/69/01/62/945690162.db2.gz YFSZHPWCXAWBOH-FZKQIMNGSA-N -1 1 386.460 1.185 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCN(C(=O)[C@]3(C)CCCOC3)C2)n1 ZINC001571273485 945690165 /nfs/dbraw/zinc/69/01/65/945690165.db2.gz YFSZHPWCXAWBOH-FZKQIMNGSA-N -1 1 386.460 1.185 20 0 GDADMM COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N1CCC[C@H]1CN(C)C ZINC000324906314 971169216 /nfs/dbraw/zinc/16/92/16/971169216.db2.gz OYNIDZLHXRRZIF-NSHDSACASA-N -1 1 376.862 1.762 20 0 GDADMM CC(C)[C@H]1C[C@H](C(=O)N[C@H]2C[C@H](Nc3nccnc3-c3nnn[n-]3)C2)CCO1 ZINC001571276051 945723208 /nfs/dbraw/zinc/72/32/08/945723208.db2.gz GHAIUGJHVOONPE-AAVRWANBSA-N -1 1 386.460 1.167 20 0 GDADMM CC(C)[C@H]1C[C@H](C(=O)N[C@H]2C[C@H](Nc3nccnc3-c3nn[n-]n3)C2)CCO1 ZINC001571276051 945723220 /nfs/dbraw/zinc/72/32/20/945723220.db2.gz GHAIUGJHVOONPE-AAVRWANBSA-N -1 1 386.460 1.167 20 0 GDADMM COc1cc(C)c([C@H](C)Nc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)cc1OC ZINC001571276314 945730878 /nfs/dbraw/zinc/73/08/78/945730878.db2.gz HHVOTFDGHPWTFH-VIFPVBQESA-N -1 1 387.400 1.165 20 0 GDADMM CCOC1CC(C(=O)N2CCCC[C@H]2CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571276600 945732036 /nfs/dbraw/zinc/73/20/36/945732036.db2.gz JLCLQTPYKBKCLH-MOKVOYLWSA-N -1 1 386.460 1.265 20 0 GDADMM CCOC1CC(C(=O)N2CCCC[C@H]2CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571276600 945732043 /nfs/dbraw/zinc/73/20/43/945732043.db2.gz JLCLQTPYKBKCLH-MOKVOYLWSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H]1CCCN(C(=O)CC2(O)CCC2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571277554 945743720 /nfs/dbraw/zinc/74/37/20/945743720.db2.gz LPWJADNRBCPTCJ-JSGCOSHPSA-N -1 1 386.460 1.001 20 0 GDADMM C[C@H]1CCCN(C(=O)CC2(O)CCC2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571277554 945743728 /nfs/dbraw/zinc/74/37/28/945743728.db2.gz LPWJADNRBCPTCJ-JSGCOSHPSA-N -1 1 386.460 1.001 20 0 GDADMM Cc1ccc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)cc1NS(C)(=O)=O ZINC001571279270 945773118 /nfs/dbraw/zinc/77/31/18/945773118.db2.gz MPCOTZBPELIWRD-UHFFFAOYSA-N -1 1 387.425 1.123 20 0 GDADMM Cc1ccc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)cc1NS(C)(=O)=O ZINC001571279270 945773127 /nfs/dbraw/zinc/77/31/27/945773127.db2.gz MPCOTZBPELIWRD-UHFFFAOYSA-N -1 1 387.425 1.123 20 0 GDADMM CC1(Nc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)CC[C@H]2CCCO2)CC1 ZINC001571279394 945777494 /nfs/dbraw/zinc/77/74/94/945777494.db2.gz WGCGCISCEYLCPE-CYBMUJFWSA-N -1 1 386.460 1.409 20 0 GDADMM CC1(Nc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)CC[C@H]2CCCO2)CC1 ZINC001571279394 945777497 /nfs/dbraw/zinc/77/74/97/945777497.db2.gz WGCGCISCEYLCPE-CYBMUJFWSA-N -1 1 386.460 1.409 20 0 GDADMM CCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCN(C(=O)CC2(O)CCC2)CC1 ZINC001571280040 945795026 /nfs/dbraw/zinc/79/50/26/945795026.db2.gz ZZULIRVSVYTBSF-UHFFFAOYSA-N -1 1 386.460 1.145 20 0 GDADMM CCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCN(C(=O)CC2(O)CCC2)CC1 ZINC001571280040 945795035 /nfs/dbraw/zinc/79/50/35/945795035.db2.gz ZZULIRVSVYTBSF-UHFFFAOYSA-N -1 1 386.460 1.145 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)c3cc(Cl)cn3C)C2)n1 ZINC001571283735 945890557 /nfs/dbraw/zinc/89/05/57/945890557.db2.gz IVLDKQIZHQCTSK-NSHDSACASA-N -1 1 387.835 1.284 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)c3cc(Cl)cn3C)C2)n1 ZINC001571283735 945890570 /nfs/dbraw/zinc/89/05/70/945890570.db2.gz IVLDKQIZHQCTSK-NSHDSACASA-N -1 1 387.835 1.284 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2C[C@H](NC(=O)c3cc(Cl)c[nH]3)C2)n1 ZINC001571283913 945894277 /nfs/dbraw/zinc/89/42/77/945894277.db2.gz KXEUYPYQMFCFFF-HOMQSWHASA-N -1 1 387.835 1.567 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2C[C@H](NC(=O)c3cc(Cl)c[nH]3)C2)n1 ZINC001571283913 945894298 /nfs/dbraw/zinc/89/42/98/945894298.db2.gz KXEUYPYQMFCFFF-HOMQSWHASA-N -1 1 387.835 1.567 20 0 GDADMM C[C@@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cc(Cl)c[nH]1 ZINC001571284377 945898866 /nfs/dbraw/zinc/89/88/66/945898866.db2.gz PDRMYTXNHWCHRA-MWLCHTKSSA-N -1 1 387.835 1.743 20 0 GDADMM C[C@@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(Cl)c[nH]1 ZINC001571284377 945898881 /nfs/dbraw/zinc/89/88/81/945898881.db2.gz PDRMYTXNHWCHRA-MWLCHTKSSA-N -1 1 387.835 1.743 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)Nc2ccc3c(c2)N(C)CCO3)cc1-c1nn[n-]n1 ZINC000821976641 945911535 /nfs/dbraw/zinc/91/15/35/945911535.db2.gz CFFPOXXLQGNKOB-UHFFFAOYSA-N -1 1 399.436 1.770 20 0 GDADMM CCN(C(=O)c1ccc(F)s1)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571286419 945948254 /nfs/dbraw/zinc/94/82/54/945948254.db2.gz HJBWFZBWGUDSJU-JTQLQIEISA-N -1 1 388.432 1.598 20 0 GDADMM CCN(C(=O)c1ccc(F)s1)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571286419 945948260 /nfs/dbraw/zinc/94/82/60/945948260.db2.gz HJBWFZBWGUDSJU-JTQLQIEISA-N -1 1 388.432 1.598 20 0 GDADMM CC(C)(C)OC(=O)N1[C@@H](C2CC2)CC[C@H]1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001571286536 945949566 /nfs/dbraw/zinc/94/95/66/945949566.db2.gz KGCCYGXWQYTLFE-NEPJUHHUSA-N -1 1 388.432 1.706 20 0 GDADMM CC(C)(C)OC(=O)N1[C@@H](C2CC2)CC[C@H]1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001571286536 945949573 /nfs/dbraw/zinc/94/95/73/945949573.db2.gz KGCCYGXWQYTLFE-NEPJUHHUSA-N -1 1 388.432 1.706 20 0 GDADMM Cc1c(NC(=O)c2coc(-c3nnn[n-]3)c2)cccc1S(=O)(=O)NC1CC1 ZINC001571286612 945952125 /nfs/dbraw/zinc/95/21/25/945952125.db2.gz MHXIBWBXNMQKOD-UHFFFAOYSA-N -1 1 388.409 1.461 20 0 GDADMM Cc1c(NC(=O)c2coc(-c3nn[n-]n3)c2)cccc1S(=O)(=O)NC1CC1 ZINC001571286612 945952133 /nfs/dbraw/zinc/95/21/33/945952133.db2.gz MHXIBWBXNMQKOD-UHFFFAOYSA-N -1 1 388.409 1.461 20 0 GDADMM O=C(N[C@@H]1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)c1sccc1F ZINC001571286751 945958543 /nfs/dbraw/zinc/95/85/43/945958543.db2.gz QRGMLAVJORNKOI-VHSXEESVSA-N -1 1 388.432 1.868 20 0 GDADMM O=C(N[C@@H]1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)c1sccc1F ZINC001571286751 945958554 /nfs/dbraw/zinc/95/85/54/945958554.db2.gz QRGMLAVJORNKOI-VHSXEESVSA-N -1 1 388.432 1.868 20 0 GDADMM Cc1cc(NC(=O)CSCC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])no1 ZINC000822208237 945993952 /nfs/dbraw/zinc/99/39/52/945993952.db2.gz HXZDQBNKZYEHLB-UHFFFAOYSA-N -1 1 389.397 1.179 20 0 GDADMM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccc2c(c1)CCC=C2 ZINC001571289182 945997695 /nfs/dbraw/zinc/99/76/95/945997695.db2.gz WOAVNQSNPAAZLD-MRXNPFEDSA-N -1 1 388.435 1.625 20 0 GDADMM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccc2c(c1)CCC=C2 ZINC001571289182 945997701 /nfs/dbraw/zinc/99/77/01/945997701.db2.gz WOAVNQSNPAAZLD-MRXNPFEDSA-N -1 1 388.435 1.625 20 0 GDADMM Cc1nsc(NC[C@@H]2CCC[C@H]2NC(=O)c2ncoc2C)c1-c1nn[n-]n1 ZINC001571289573 946009492 /nfs/dbraw/zinc/00/94/92/946009492.db2.gz HWEJPDQCLSOWHV-WDEREUQCSA-N -1 1 388.457 1.939 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(NC(=O)[C@@H]3CCC[C@@H](F)C3)CC2)n1 ZINC001571289621 946011991 /nfs/dbraw/zinc/01/19/91/946011991.db2.gz IWHORGAAKVODBJ-CHWSQXEVSA-N -1 1 388.451 1.578 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(NC(=O)[C@@H]3CCC[C@@H](F)C3)CC2)n1 ZINC001571289621 946012003 /nfs/dbraw/zinc/01/20/03/946012003.db2.gz IWHORGAAKVODBJ-CHWSQXEVSA-N -1 1 388.451 1.578 20 0 GDADMM CCO[C@@H]1CN(C(=O)[C@H](C)C(C)C)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571289630 946012789 /nfs/dbraw/zinc/01/27/89/946012789.db2.gz IXQCZRMZSJTNDC-UMVBOHGHSA-N -1 1 388.476 1.224 20 0 GDADMM CCO[C@@H]1CN(C(=O)[C@H](C)C(C)C)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571289630 946012799 /nfs/dbraw/zinc/01/27/99/946012799.db2.gz IXQCZRMZSJTNDC-UMVBOHGHSA-N -1 1 388.476 1.224 20 0 GDADMM Cc1ncoc1C(=O)N1CC[C@](C)(CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571289719 946014783 /nfs/dbraw/zinc/01/47/83/946014783.db2.gz LAOQRPGKYAZWII-MRXNPFEDSA-N -1 1 388.457 1.892 20 0 GDADMM Cc1nsc(NCC2CCN(C(=O)Cc3cnoc3)CC2)c1-c1nn[n-]n1 ZINC001571289911 946023688 /nfs/dbraw/zinc/02/36/88/946023688.db2.gz PPFODNOBKDRQPW-UHFFFAOYSA-N -1 1 388.457 1.513 20 0 GDADMM Cc1ncoc1C(=O)N[C@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)[C@@H]1C ZINC001571290014 946025994 /nfs/dbraw/zinc/02/59/94/946025994.db2.gz SMPHPSWIBUSAHP-MNOVXSKESA-N -1 1 388.457 1.715 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@]2(C)CCN(C(=O)C3(F)CCCC3)C2)n1 ZINC001571290224 946034074 /nfs/dbraw/zinc/03/40/74/946034074.db2.gz YBJQGZULNVSSHU-QGZVFWFLSA-N -1 1 388.451 1.898 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@]2(C)CCN(C(=O)C3(F)CCCC3)C2)n1 ZINC001571290224 946034086 /nfs/dbraw/zinc/03/40/86/946034086.db2.gz YBJQGZULNVSSHU-QGZVFWFLSA-N -1 1 388.451 1.898 20 0 GDADMM O=C(N[C@H]1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1occc1Cl ZINC001571290374 946043205 /nfs/dbraw/zinc/04/32/05/946043205.db2.gz CJNZMDVOUMREDE-ZJUUUORDSA-N -1 1 388.819 1.478 20 0 GDADMM CCN(C(=O)c1occc1Cl)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571290755 946054492 /nfs/dbraw/zinc/05/44/92/946054492.db2.gz NZGPSCAQXSYWOG-JTQLQIEISA-N -1 1 388.819 1.644 20 0 GDADMM CCN(C(=O)c1occc1Cl)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571290755 946054507 /nfs/dbraw/zinc/05/45/07/946054507.db2.gz NZGPSCAQXSYWOG-JTQLQIEISA-N -1 1 388.819 1.644 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(OC(F)(F)F)cc1Cl ZINC001571290792 946057604 /nfs/dbraw/zinc/05/76/04/946057604.db2.gz PEWXCZZMZSVBKG-UHFFFAOYSA-N -1 1 388.697 1.649 20 0 GDADMM CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001571293868 946118541 /nfs/dbraw/zinc/11/85/41/946118541.db2.gz ULPIUPSDQRSRIT-CQSZACIVSA-N -1 1 389.460 1.817 20 0 GDADMM CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001571293868 946118546 /nfs/dbraw/zinc/11/85/46/946118546.db2.gz ULPIUPSDQRSRIT-CQSZACIVSA-N -1 1 389.460 1.817 20 0 GDADMM Cc1nsc(N2CCN(C(=O)[C@@H]3CC34CCOCC4)CC2)c1-c1nn[n-]n1 ZINC001571294286 946130634 /nfs/dbraw/zinc/13/06/34/946130634.db2.gz CZVYAJATJBZCMD-LBPRGKRZSA-N -1 1 389.485 1.097 20 0 GDADMM O=C(c1ccc2c(c1)CCC2)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571297879 946198268 /nfs/dbraw/zinc/19/82/68/946198268.db2.gz BZGMOLGFEMIXPV-MRXNPFEDSA-N -1 1 390.451 1.862 20 0 GDADMM O=C(c1ccc2c(c1)CCC2)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571297879 946198275 /nfs/dbraw/zinc/19/82/75/946198275.db2.gz BZGMOLGFEMIXPV-MRXNPFEDSA-N -1 1 390.451 1.862 20 0 GDADMM O=C([C@@H](c1ccccc1)C1CC1)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571298135 946206470 /nfs/dbraw/zinc/20/64/70/946206470.db2.gz AJTZDLCWVXHZGO-QAPCUYQASA-N -1 1 390.451 1.863 20 0 GDADMM O=C([C@@H](c1ccccc1)C1CC1)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571298135 946206477 /nfs/dbraw/zinc/20/64/77/946206477.db2.gz AJTZDLCWVXHZGO-QAPCUYQASA-N -1 1 390.451 1.863 20 0 GDADMM Cc1cccc(C(=O)N[C@]23CCC[C@H]2CN(c2ccc(-c4nnn[n-]4)nn2)C3)c1 ZINC001571298344 946213586 /nfs/dbraw/zinc/21/35/86/946213586.db2.gz FBEMVUYBOOSTSN-YWZLYKJASA-N -1 1 390.451 1.754 20 0 GDADMM Cc1cccc(C(=O)N[C@]23CCC[C@H]2CN(c2ccc(-c4nn[n-]n4)nn2)C3)c1 ZINC001571298344 946213590 /nfs/dbraw/zinc/21/35/90/946213590.db2.gz FBEMVUYBOOSTSN-YWZLYKJASA-N -1 1 390.451 1.754 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1CNC(=O)[C@H]1Cc2ccccc21 ZINC001571298339 946214767 /nfs/dbraw/zinc/21/47/67/946214767.db2.gz DZNXQKPRSMFMEF-XPKDYRNWSA-N -1 1 390.451 1.185 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1CNC(=O)[C@H]1Cc2ccccc21 ZINC001571298339 946214779 /nfs/dbraw/zinc/21/47/79/946214779.db2.gz DZNXQKPRSMFMEF-XPKDYRNWSA-N -1 1 390.451 1.185 20 0 GDADMM Cc1nsc(NC[C@H]2CN(C(=O)c3ccsn3)C[C@@H]2C)c1-c1nn[n-]n1 ZINC001571298453 946215949 /nfs/dbraw/zinc/21/59/49/946215949.db2.gz OFAHJKXAWKQPDU-WPRPVWTQSA-N -1 1 390.498 1.908 20 0 GDADMM O=C(NCc1ccc(CNc2ccnc(-c3nn[n-]n3)n2)cc1)C1CC2(CC2)C1 ZINC001571298962 946234889 /nfs/dbraw/zinc/23/48/89/946234889.db2.gz SGZXFTVZHNWIDA-UHFFFAOYSA-N -1 1 390.451 1.497 20 0 GDADMM CC(=O)N[C@H](CC(=O)Nc1cccc(-c2nnn[n-]2)n1)c1c(F)cccc1F ZINC001573487341 946252692 /nfs/dbraw/zinc/25/26/92/946252692.db2.gz NLSQAWPPOOPIBF-CYBMUJFWSA-N -1 1 387.350 1.746 20 0 GDADMM CC(=O)N[C@H](CC(=O)Nc1cccc(-c2nn[n-]n2)n1)c1c(F)cccc1F ZINC001573487341 946252706 /nfs/dbraw/zinc/25/27/06/946252706.db2.gz NLSQAWPPOOPIBF-CYBMUJFWSA-N -1 1 387.350 1.746 20 0 GDADMM CC1(C)C[C@H]1C(=O)NCc1ccc2c(c1)CN(c1nccnc1-c1nnn[n-]1)C2 ZINC001571299514 946254646 /nfs/dbraw/zinc/25/46/46/946254646.db2.gz SWNQJHKXAHGOJI-HNNXBMFYSA-N -1 1 390.451 1.839 20 0 GDADMM CC1(C)C[C@H]1C(=O)NCc1ccc2c(c1)CN(c1nccnc1-c1nn[n-]n1)C2 ZINC001571299514 946254657 /nfs/dbraw/zinc/25/46/57/946254657.db2.gz SWNQJHKXAHGOJI-HNNXBMFYSA-N -1 1 390.451 1.839 20 0 GDADMM C[C@H]1C[C@@H]1C(=O)NC[C@H]1c2ccccc2CCN1c1nccnc1-c1nnn[n-]1 ZINC001571299846 946264731 /nfs/dbraw/zinc/26/47/31/946264731.db2.gz WMXMCHAYLZXBNG-RCBQFDQVSA-N -1 1 390.451 1.533 20 0 GDADMM C[C@H]1C[C@@H]1C(=O)NC[C@H]1c2ccccc2CCN1c1nccnc1-c1nn[n-]n1 ZINC001571299846 946264742 /nfs/dbraw/zinc/26/47/42/946264742.db2.gz WMXMCHAYLZXBNG-RCBQFDQVSA-N -1 1 390.451 1.533 20 0 GDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)N[C@H](CCO)c1ccc(Cl)c(F)c1 ZINC001571299905 946267802 /nfs/dbraw/zinc/26/78/02/946267802.db2.gz QTRIBSSOMAITDC-CQSZACIVSA-N -1 1 390.806 1.837 20 0 GDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)N[C@H](CCO)c1ccc(Cl)c(F)c1 ZINC001571299905 946267812 /nfs/dbraw/zinc/26/78/12/946267812.db2.gz QTRIBSSOMAITDC-CQSZACIVSA-N -1 1 390.806 1.837 20 0 GDADMM Cc1cc(C)nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nnn[n-]3)nn2)c1 ZINC001571302907 946319567 /nfs/dbraw/zinc/31/95/67/946319567.db2.gz IVZGZPWWAIVRGE-XPKDYRNWSA-N -1 1 391.439 1.208 20 0 GDADMM Cc1cc(C)nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nn2)c1 ZINC001571302907 946319577 /nfs/dbraw/zinc/31/95/77/946319577.db2.gz IVZGZPWWAIVRGE-XPKDYRNWSA-N -1 1 391.439 1.208 20 0 GDADMM C[C@@H]1CN(C(=O)[C@H]2CCc3cccnc32)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571302951 946320542 /nfs/dbraw/zinc/32/05/42/946320542.db2.gz FKOGFYSXHQTCAF-KWCYVHTRSA-N -1 1 391.439 1.041 20 0 GDADMM C[C@@H]1CN(C(=O)[C@H]2CCc3cccnc32)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571302951 946320552 /nfs/dbraw/zinc/32/05/52/946320552.db2.gz FKOGFYSXHQTCAF-KWCYVHTRSA-N -1 1 391.439 1.041 20 0 GDADMM CN(C(=O)c1ccnc(C2CC2)c1)C1CC(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571302986 946322286 /nfs/dbraw/zinc/32/22/86/946322286.db2.gz GSNSZIXBVDLEHC-UHFFFAOYSA-N -1 1 391.439 1.644 20 0 GDADMM CN(C(=O)c1ccnc(C2CC2)c1)C1CC(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571302986 946322295 /nfs/dbraw/zinc/32/22/95/946322295.db2.gz GSNSZIXBVDLEHC-UHFFFAOYSA-N -1 1 391.439 1.644 20 0 GDADMM O=C(c1ccnc(C2CC2)c1)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571303231 946330230 /nfs/dbraw/zinc/33/02/30/946330230.db2.gz MKARRJCZJRMFRE-UHFFFAOYSA-N -1 1 391.439 1.646 20 0 GDADMM O=C(c1ccnc(C2CC2)c1)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571303231 946330241 /nfs/dbraw/zinc/33/02/41/946330241.db2.gz MKARRJCZJRMFRE-UHFFFAOYSA-N -1 1 391.439 1.646 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2cnc(-c3nnn[n-]3)cn2)n1 ZINC001571303302 946331609 /nfs/dbraw/zinc/33/16/09/946331609.db2.gz OHQMERNSCFDUIQ-KGLIPLIRSA-N -1 1 391.439 1.244 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2cnc(-c3nn[n-]n3)cn2)n1 ZINC001571303302 946331619 /nfs/dbraw/zinc/33/16/19/946331619.db2.gz OHQMERNSCFDUIQ-KGLIPLIRSA-N -1 1 391.439 1.244 20 0 GDADMM Cc1cncc(C(=O)N[C@]23CCC[C@H]2CN(c2cncc(-c4nnn[n-]4)n2)C3)c1 ZINC001571303758 946346504 /nfs/dbraw/zinc/34/65/04/946346504.db2.gz XFYMFHWXWWKBBD-LIRRHRJNSA-N -1 1 391.439 1.149 20 0 GDADMM Cc1cncc(C(=O)N[C@]23CCC[C@H]2CN(c2cncc(-c4nn[n-]n4)n2)C3)c1 ZINC001571303758 946346516 /nfs/dbraw/zinc/34/65/16/946346516.db2.gz XFYMFHWXWWKBBD-LIRRHRJNSA-N -1 1 391.439 1.149 20 0 GDADMM CN(c1nc(-c2nn[n-]n2)c(Cl)s1)[C@@H]1CCN(C(=O)c2cnccn2)C1 ZINC001571305593 946370747 /nfs/dbraw/zinc/37/07/47/946370747.db2.gz GWLBXXWPVKBKMU-MRVPVSSYSA-N -1 1 391.848 1.118 20 0 GDADMM Cc1nsc(NC2CCN(C(=O)C[C@H]3CCCOC3)CC2)c1-c1nn[n-]n1 ZINC001571305848 946378392 /nfs/dbraw/zinc/37/83/92/946378392.db2.gz LULWBNSYAXJPBG-GFCCVEGCSA-N -1 1 391.501 1.851 20 0 GDADMM O=C(c1ncc(Cl)s1)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571306300 946395343 /nfs/dbraw/zinc/39/53/43/946395343.db2.gz RXCYSNUUTIDWRO-QMMMGPOBSA-N -1 1 391.848 1.483 20 0 GDADMM O=C(c1ncc(Cl)s1)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571306300 946395354 /nfs/dbraw/zinc/39/53/54/946395354.db2.gz RXCYSNUUTIDWRO-QMMMGPOBSA-N -1 1 391.848 1.483 20 0 GDADMM Cc1nsc(N2CCC(CNC(=O)[C@H]3CCO[C@@H]3C)CC2)c1-c1nn[n-]n1 ZINC001571306542 946401833 /nfs/dbraw/zinc/40/18/33/946401833.db2.gz WYNISPPHIWQTSE-YPMHNXCESA-N -1 1 391.501 1.389 20 0 GDADMM Cc1nsc(N[C@H]2CN(C(=O)C[C@H]3CCOC3)CC2(C)C)c1-c1nn[n-]n1 ZINC001571306606 946405371 /nfs/dbraw/zinc/40/53/71/946405371.db2.gz YQAAEVLQDYAEHN-NEPJUHHUSA-N -1 1 391.501 1.707 20 0 GDADMM Cc1nsc(N2CCC[C@@H](NC(=O)[C@@]3(C)CCOC3)CC2)c1-c1nn[n-]n1 ZINC001571306651 946407407 /nfs/dbraw/zinc/40/74/07/946407407.db2.gz ZFUMSMGGDKFYPE-PXAZEXFGSA-N -1 1 391.501 1.533 20 0 GDADMM CN(C(=O)[C@@H]1CCCCC1(F)F)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571307536 946423064 /nfs/dbraw/zinc/42/30/64/946423064.db2.gz DIEYLOSLVUBKRN-RYUDHWBXSA-N -1 1 392.414 1.519 20 0 GDADMM CN(C(=O)[C@@H]1CCCCC1(F)F)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571307536 946423072 /nfs/dbraw/zinc/42/30/72/946423072.db2.gz DIEYLOSLVUBKRN-RYUDHWBXSA-N -1 1 392.414 1.519 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571307579 946425080 /nfs/dbraw/zinc/42/50/80/946425080.db2.gz FNOFJTIGHDRQNV-MNOVXSKESA-N -1 1 392.414 1.020 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)[C@H]3CCCC(F)(F)C3)C2)n1 ZINC001571308619 946435006 /nfs/dbraw/zinc/43/50/06/946435006.db2.gz SLGOMLJAKUXSTE-RYUDHWBXSA-N -1 1 392.414 1.803 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)[C@H]3CCCC(F)(F)C3)C2)n1 ZINC001571308619 946435015 /nfs/dbraw/zinc/43/50/15/946435015.db2.gz SLGOMLJAKUXSTE-RYUDHWBXSA-N -1 1 392.414 1.803 20 0 GDADMM CN(C(=O)C[C@@H]1CCCC1(F)F)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571308724 946435253 /nfs/dbraw/zinc/43/52/53/946435253.db2.gz SMQLLIKOCNZZEH-NWDGAFQWSA-N -1 1 392.414 1.519 20 0 GDADMM CN(C(=O)C[C@@H]1CCCC1(F)F)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571308724 946435264 /nfs/dbraw/zinc/43/52/64/946435264.db2.gz SMQLLIKOCNZZEH-NWDGAFQWSA-N -1 1 392.414 1.519 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCCC2(F)F)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571309131 946439483 /nfs/dbraw/zinc/43/94/83/946439483.db2.gz WYTGIVISJZMBKR-WOPDTQHZSA-N -1 1 392.414 1.566 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N(C)C[C@H]2CCCN2C(=O)[C@@H]2CC2(F)F)n1 ZINC001571309121 946440604 /nfs/dbraw/zinc/44/06/04/946440604.db2.gz WWKRXEUDFPHZJV-MNOVXSKESA-N -1 1 392.414 1.302 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N(C)C[C@H]2CCCN2C(=O)[C@@H]2CC2(F)F)n1 ZINC001571309121 946440614 /nfs/dbraw/zinc/44/06/14/946440614.db2.gz WWKRXEUDFPHZJV-MNOVXSKESA-N -1 1 392.414 1.302 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](CNC(=O)[C@H]3CCC3(F)F)C2)n1 ZINC001571309376 946442655 /nfs/dbraw/zinc/44/26/55/946442655.db2.gz YQABDCWNHJMNOK-VXGBXAGGSA-N -1 1 392.414 1.343 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](CNC(=O)[C@H]3CCC3(F)F)C2)n1 ZINC001571309376 946442663 /nfs/dbraw/zinc/44/26/63/946442663.db2.gz YQABDCWNHJMNOK-VXGBXAGGSA-N -1 1 392.414 1.343 20 0 GDADMM C[C@H]1Cc2cc(C(=O)N3CC[C@@H](Nc4cncc(-c5nnn[n-]5)n4)C3)ccc2O1 ZINC001571309811 946454906 /nfs/dbraw/zinc/45/49/06/946454906.db2.gz LKVZQJCJPVVSFC-SMDDNHRTSA-N -1 1 392.423 1.307 20 0 GDADMM C[C@H]1Cc2cc(C(=O)N3CC[C@@H](Nc4cncc(-c5nn[n-]n5)n4)C3)ccc2O1 ZINC001571309811 946454916 /nfs/dbraw/zinc/45/49/16/946454916.db2.gz LKVZQJCJPVVSFC-SMDDNHRTSA-N -1 1 392.423 1.307 20 0 GDADMM O=C(N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C1(C(F)F)CCCC1 ZINC001571309845 946455826 /nfs/dbraw/zinc/45/58/26/946455826.db2.gz MKWIMXYQZNZQTH-LLVKDONJSA-N -1 1 392.414 1.885 20 0 GDADMM O=C(N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C1(C(F)F)CCCC1 ZINC001571309845 946455832 /nfs/dbraw/zinc/45/58/32/946455832.db2.gz MKWIMXYQZNZQTH-LLVKDONJSA-N -1 1 392.414 1.885 20 0 GDADMM O=C(c1ccccc1O)N1CC[C@H]2[C@H](CCN2c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571312787 946502784 /nfs/dbraw/zinc/50/27/84/946502784.db2.gz KGXGMOPRBHUYCB-DOMZBBRYSA-N -1 1 392.423 1.103 20 0 GDADMM O=C(c1ccccc1O)N1CC[C@H]2[C@H](CCN2c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571312787 946502791 /nfs/dbraw/zinc/50/27/91/946502791.db2.gz KGXGMOPRBHUYCB-DOMZBBRYSA-N -1 1 392.423 1.103 20 0 GDADMM CCc1ccccc1CC(=O)N1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571313521 946526375 /nfs/dbraw/zinc/52/63/75/946526375.db2.gz QPXOLFMINRDQPG-CQSZACIVSA-N -1 1 392.467 1.722 20 0 GDADMM CCc1ccccc1CC(=O)N1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571313521 946526381 /nfs/dbraw/zinc/52/63/81/946526381.db2.gz QPXOLFMINRDQPG-CQSZACIVSA-N -1 1 392.467 1.722 20 0 GDADMM CC(=O)Nc1cc(F)c(F)cc1NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000823999934 946538410 /nfs/dbraw/zinc/53/84/10/946538410.db2.gz NQDHMFYGAYACNK-UHFFFAOYSA-N -1 1 377.311 1.581 20 0 GDADMM CC(=O)Nc1cc(F)c(F)cc1NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000823999934 946538420 /nfs/dbraw/zinc/53/84/20/946538420.db2.gz NQDHMFYGAYACNK-UHFFFAOYSA-N -1 1 377.311 1.581 20 0 GDADMM CCc1ccccc1C(=O)N[C@@H]1CCN(c2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001571314008 946540929 /nfs/dbraw/zinc/54/09/29/946540929.db2.gz YQMRPZPINMVSNN-CQSZACIVSA-N -1 1 392.467 1.790 20 0 GDADMM CCc1ccccc1C(=O)N[C@@H]1CCN(c2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001571314008 946540943 /nfs/dbraw/zinc/54/09/43/946540943.db2.gz YQMRPZPINMVSNN-CQSZACIVSA-N -1 1 392.467 1.790 20 0 GDADMM CC(=O)c1ccc2c(c1)CCN(C(=O)Cc1noc(C)c1-c1nnn[n-]1)CC2 ZINC000824029921 946560644 /nfs/dbraw/zinc/56/06/44/946560644.db2.gz VHTABTSIVNNULW-UHFFFAOYSA-N -1 1 380.408 1.536 20 0 GDADMM CC(=O)c1ccc2c(c1)CCN(C(=O)Cc1noc(C)c1-c1nn[n-]n1)CC2 ZINC000824029921 946560650 /nfs/dbraw/zinc/56/06/50/946560650.db2.gz VHTABTSIVNNULW-UHFFFAOYSA-N -1 1 380.408 1.536 20 0 GDADMM Cc1ccc(CC(=O)N2CCC[C@H]2CNc2cnc(-c3nnn[n-]3)cn2)cc1C ZINC001571316315 946571175 /nfs/dbraw/zinc/57/11/75/946571175.db2.gz ZLILWFQSRUMYLI-INIZCTEOSA-N -1 1 392.467 1.919 20 0 GDADMM Cc1ccc(CC(=O)N2CCC[C@H]2CNc2cnc(-c3nn[n-]n3)cn2)cc1C ZINC001571316315 946571187 /nfs/dbraw/zinc/57/11/87/946571187.db2.gz ZLILWFQSRUMYLI-INIZCTEOSA-N -1 1 392.467 1.919 20 0 GDADMM Cc1ccccc1CC(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001571316513 946579756 /nfs/dbraw/zinc/57/97/56/946579756.db2.gz FERPXRNGMZKYAX-INIZCTEOSA-N -1 1 392.467 1.635 20 0 GDADMM Cc1ccccc1CC(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001571316513 946579763 /nfs/dbraw/zinc/57/97/63/946579763.db2.gz FERPXRNGMZKYAX-INIZCTEOSA-N -1 1 392.467 1.635 20 0 GDADMM Cc1ccccc1CC(=O)N1CC[C@H]([C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571316689 946583772 /nfs/dbraw/zinc/58/37/72/946583772.db2.gz JZEVVPIMQIMZPK-ZBFHGGJFSA-N -1 1 392.467 1.857 20 0 GDADMM Cc1ccccc1CC(=O)N1CC[C@H]([C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571316689 946583785 /nfs/dbraw/zinc/58/37/85/946583785.db2.gz JZEVVPIMQIMZPK-ZBFHGGJFSA-N -1 1 392.467 1.857 20 0 GDADMM Cc1ccccc1CC(=O)N1CC[C@@H]([C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571316687 946584694 /nfs/dbraw/zinc/58/46/94/946584694.db2.gz JZEVVPIMQIMZPK-GOEBONIOSA-N -1 1 392.467 1.857 20 0 GDADMM Cc1ccccc1CC(=O)N1CC[C@@H]([C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571316687 946584701 /nfs/dbraw/zinc/58/47/01/946584701.db2.gz JZEVVPIMQIMZPK-GOEBONIOSA-N -1 1 392.467 1.857 20 0 GDADMM O=C(Cc1ccccc1)N1CCC[C@@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001571317132 946601920 /nfs/dbraw/zinc/60/19/20/946601920.db2.gz WCNYOXDCKZUQLV-INIZCTEOSA-N -1 1 392.467 1.940 20 0 GDADMM O=C(Cc1ccccc1)N1CCC[C@@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001571317132 946601929 /nfs/dbraw/zinc/60/19/29/946601929.db2.gz WCNYOXDCKZUQLV-INIZCTEOSA-N -1 1 392.467 1.940 20 0 GDADMM C[C@@H](C(=O)N1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)CC1)n1cccc1 ZINC001571317908 946623832 /nfs/dbraw/zinc/62/38/32/946623832.db2.gz XXUOKPJKNIPCPW-JTQLQIEISA-N -1 1 392.876 1.688 20 0 GDADMM CC(=O)Nc1ccccc1CNS(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001573548985 946861888 /nfs/dbraw/zinc/86/18/88/946861888.db2.gz ZSWHWZAFYJBZFU-UHFFFAOYSA-N -1 1 378.439 1.365 20 0 GDADMM C=CC(=O)Nc1ccc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC001573300463 947113236 /nfs/dbraw/zinc/11/32/36/947113236.db2.gz KLKBQPXUSUTMCM-UHFFFAOYSA-N -1 1 395.427 1.001 20 0 GDADMM C=CC(=O)Nc1ccc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC001573300463 947113243 /nfs/dbraw/zinc/11/32/43/947113243.db2.gz KLKBQPXUSUTMCM-UHFFFAOYSA-N -1 1 395.427 1.001 20 0 GDADMM CCC[C@@](C)(CO)NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000825232561 947128090 /nfs/dbraw/zinc/12/80/90/947128090.db2.gz HZRJPDSWKZESGU-SFHVURJKSA-N -1 1 386.460 1.126 20 0 GDADMM CCC[C@@](C)(CO)NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000825232561 947128096 /nfs/dbraw/zinc/12/80/96/947128096.db2.gz HZRJPDSWKZESGU-SFHVURJKSA-N -1 1 386.460 1.126 20 0 GDADMM CCCCCC(=O)NC1CCN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)CC1 ZINC000825267288 947139386 /nfs/dbraw/zinc/13/93/86/947139386.db2.gz KGDNPOPULFRWFN-UHFFFAOYSA-N -1 1 389.460 1.393 20 0 GDADMM CCCCCC(=O)NC1CCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)CC1 ZINC000825267288 947139396 /nfs/dbraw/zinc/13/93/96/947139396.db2.gz KGDNPOPULFRWFN-UHFFFAOYSA-N -1 1 389.460 1.393 20 0 GDADMM CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)Cc2noc(C)c2-c2nnn[n-]2)C1 ZINC000825284861 947142078 /nfs/dbraw/zinc/14/20/78/947142078.db2.gz AURPDPWRYQHTBC-AAEUAGOBSA-N -1 1 389.460 1.249 20 0 GDADMM CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)Cc2noc(C)c2-c2nn[n-]n2)C1 ZINC000825284861 947142085 /nfs/dbraw/zinc/14/20/85/947142085.db2.gz AURPDPWRYQHTBC-AAEUAGOBSA-N -1 1 389.460 1.249 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)N(C)Cc2ccccc2C)c1-c1nn[n-]n1 ZINC000825564582 947221560 /nfs/dbraw/zinc/22/15/60/947221560.db2.gz ACMPCVCKFSYATB-UHFFFAOYSA-N -1 1 383.412 1.207 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)NC2CCCCCCC2)c1-c1nn[n-]n1 ZINC000825565269 947224549 /nfs/dbraw/zinc/22/45/49/947224549.db2.gz PPUJARGVWXTDRD-UHFFFAOYSA-N -1 1 375.433 1.469 20 0 GDADMM C=C/C(C)=C\CC(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@]2(C)C1 ZINC001573315114 947244195 /nfs/dbraw/zinc/24/41/95/947244195.db2.gz AQCIYSOMSQQOER-PBBDQXQFSA-N -1 1 380.456 1.464 20 0 GDADMM C=C/C(C)=C\CC(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@]2(C)C1 ZINC001573315114 947244209 /nfs/dbraw/zinc/24/42/09/947244209.db2.gz AQCIYSOMSQQOER-PBBDQXQFSA-N -1 1 380.456 1.464 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H](C)c1ccccc1F ZINC001573586192 947279267 /nfs/dbraw/zinc/27/92/67/947279267.db2.gz LNJSHKBRGMZPHT-NEPJUHHUSA-N -1 1 384.419 1.280 20 0 GDADMM C=C/C(C)=C/CC(=O)N(CCC)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573318149 947303808 /nfs/dbraw/zinc/30/38/08/947303808.db2.gz QRIRDGBTRFNNOF-HVJNQHDOSA-N -1 1 382.472 1.996 20 0 GDADMM C=C/C(C)=C/CC(=O)N(CCC)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573318149 947303821 /nfs/dbraw/zinc/30/38/21/947303821.db2.gz QRIRDGBTRFNNOF-HVJNQHDOSA-N -1 1 382.472 1.996 20 0 GDADMM C=C/C(C)=C\CC(=O)NC[C@@]1(C)CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573318238 947304885 /nfs/dbraw/zinc/30/48/85/947304885.db2.gz RRBYWCUWWJESEQ-GDPYDMBHSA-N -1 1 382.472 1.902 20 0 GDADMM C=C/C(C)=C\CC(=O)NC[C@@]1(C)CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573318238 947304897 /nfs/dbraw/zinc/30/48/97/947304897.db2.gz RRBYWCUWWJESEQ-GDPYDMBHSA-N -1 1 382.472 1.902 20 0 GDADMM C[C@H](C(=O)N(C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C(C)(F)F ZINC001573591497 947312836 /nfs/dbraw/zinc/31/28/36/947312836.db2.gz BXWKFOOBKONMQV-SNVBAGLBSA-N -1 1 380.403 1.375 20 0 GDADMM C[C@H](C(=O)N(C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C(C)(F)F ZINC001573591497 947312853 /nfs/dbraw/zinc/31/28/53/947312853.db2.gz BXWKFOOBKONMQV-SNVBAGLBSA-N -1 1 380.403 1.375 20 0 GDADMM C[C@@H](C(=O)N(C)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C1CCCC1 ZINC001573593210 947364008 /nfs/dbraw/zinc/36/40/08/947364008.db2.gz ROLKMOXUNLTEMG-CYBMUJFWSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](C(=O)N(C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C1CCCC1 ZINC001573593210 947364017 /nfs/dbraw/zinc/36/40/17/947364017.db2.gz ROLKMOXUNLTEMG-CYBMUJFWSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1cncc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001573593371 947368696 /nfs/dbraw/zinc/36/86/96/947368696.db2.gz SDPBICFLSVCOOB-SECBINFHSA-N -1 1 386.382 1.752 20 0 GDADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1cncc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573593371 947368708 /nfs/dbraw/zinc/36/87/08/947368708.db2.gz SDPBICFLSVCOOB-SECBINFHSA-N -1 1 386.382 1.752 20 0 GDADMM COC(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000826133101 947445951 /nfs/dbraw/zinc/44/59/51/947445951.db2.gz JWHZHQKCDDWMHX-NEPJUHHUSA-N -1 1 376.417 1.334 20 0 GDADMM COC(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000826133101 947445954 /nfs/dbraw/zinc/44/59/54/947445954.db2.gz JWHZHQKCDDWMHX-NEPJUHHUSA-N -1 1 376.417 1.334 20 0 GDADMM C[C@@H](C(=O)N(C)CCNc1nccnc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC001573602944 947474117 /nfs/dbraw/zinc/47/41/17/947474117.db2.gz CDVHWAAPYJXGHY-LLVKDONJSA-N -1 1 386.847 1.984 20 0 GDADMM C[C@@H](C(=O)N(C)CCNc1nccnc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC001573602944 947474128 /nfs/dbraw/zinc/47/41/28/947474128.db2.gz CDVHWAAPYJXGHY-LLVKDONJSA-N -1 1 386.847 1.984 20 0 GDADMM COCC[C@H](Cc1ccco1)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826154028 947485891 /nfs/dbraw/zinc/48/58/91/947485891.db2.gz GMCWHENSODAUPG-GFCCVEGCSA-N -1 1 395.416 1.525 20 0 GDADMM C[C@H](C(=O)N(C)CCNc1snc(Cl)c1-c1nnn[n-]1)n1cccc1 ZINC001573603668 947494846 /nfs/dbraw/zinc/49/48/46/947494846.db2.gz JHRFSBUYMLGCJE-SECBINFHSA-N -1 1 380.865 1.910 20 0 GDADMM C[C@H](C(=O)N(C)CCNc1snc(Cl)c1-c1nn[n-]n1)n1cccc1 ZINC001573603668 947494850 /nfs/dbraw/zinc/49/48/50/947494850.db2.gz JHRFSBUYMLGCJE-SECBINFHSA-N -1 1 380.865 1.910 20 0 GDADMM C[C@H](C(=O)N(CCO)CCNc1nccnc1-c1nnn[n-]1)[C@H](C)C(C)(C)C ZINC001573607124 947540166 /nfs/dbraw/zinc/54/01/66/947540166.db2.gz FTFJKAOJAZAHFQ-STQMWFEESA-N -1 1 390.492 1.208 20 0 GDADMM C[C@H](C(=O)N(CCO)CCNc1nccnc1-c1nn[n-]n1)[C@H](C)C(C)(C)C ZINC001573607124 947540174 /nfs/dbraw/zinc/54/01/74/947540174.db2.gz FTFJKAOJAZAHFQ-STQMWFEESA-N -1 1 390.492 1.208 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001573613635 947567379 /nfs/dbraw/zinc/56/73/79/947567379.db2.gz FLAUMHJCZCTECG-BBBLOLIVSA-N -1 1 382.350 1.035 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573613635 947567386 /nfs/dbraw/zinc/56/73/86/947567386.db2.gz FLAUMHJCZCTECG-BBBLOLIVSA-N -1 1 382.350 1.035 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@@H](CCNc3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573350680 947601802 /nfs/dbraw/zinc/60/18/02/947601802.db2.gz DBKLZFXVQYGIEY-OAHLLOKOSA-N -1 1 390.451 1.686 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001573351377 947615094 /nfs/dbraw/zinc/61/50/94/947615094.db2.gz MDTZUBFLVWUEHG-AWEZNQCLSA-N -1 1 376.424 1.874 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001573351377 947615098 /nfs/dbraw/zinc/61/50/98/947615098.db2.gz MDTZUBFLVWUEHG-AWEZNQCLSA-N -1 1 376.424 1.874 20 0 GDADMM C[C@@H](C(=O)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1)C(C)(F)F ZINC001573616076 947617952 /nfs/dbraw/zinc/61/79/52/947617952.db2.gz LLJVELORUANQGS-JTQLQIEISA-N -1 1 380.403 1.020 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001573616281 947622120 /nfs/dbraw/zinc/62/21/20/947622120.db2.gz MNQKODUOMPIDHT-UWVGGRQHSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573616281 947622127 /nfs/dbraw/zinc/62/21/27/947622127.db2.gz MNQKODUOMPIDHT-UWVGGRQHSA-N -1 1 384.366 1.506 20 0 GDADMM COc1cccc(N2CCC[C@H](NC(=O)Cc3noc(C)c3-c3nnn[n-]3)C2)c1 ZINC000826216957 947637338 /nfs/dbraw/zinc/63/73/38/947637338.db2.gz SXCCSRZQMXVMJB-ZDUSSCGKSA-N -1 1 397.439 1.499 20 0 GDADMM COc1cccc(N2CCC[C@H](NC(=O)Cc3noc(C)c3-c3nn[n-]n3)C2)c1 ZINC000826216957 947637345 /nfs/dbraw/zinc/63/73/45/947637345.db2.gz SXCCSRZQMXVMJB-ZDUSSCGKSA-N -1 1 397.439 1.499 20 0 GDADMM C[C@H](C(=O)N1CCC(C)(Nc2cnc(-c3nnn[n-]3)cn2)CC1)[C@H]1CCCO1 ZINC001573617883 947643722 /nfs/dbraw/zinc/64/37/22/947643722.db2.gz QDXDAFLTHSZKBV-GXTWGEPZSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H](C(=O)N1CCC(C)(Nc2cnc(-c3nn[n-]n3)cn2)CC1)[C@H]1CCCO1 ZINC001573617883 947643727 /nfs/dbraw/zinc/64/37/27/947643727.db2.gz QDXDAFLTHSZKBV-GXTWGEPZSA-N -1 1 386.460 1.265 20 0 GDADMM C=Cc1ccc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)[C@@H]2C)cc1 ZINC001573358235 947659096 /nfs/dbraw/zinc/65/90/96/947659096.db2.gz CWDDNQQWZSBUMM-DOMZBBRYSA-N -1 1 376.424 1.697 20 0 GDADMM CSc1ccc(C)c(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000826230159 947673808 /nfs/dbraw/zinc/67/38/08/947673808.db2.gz HLASCBNVINBZCD-UHFFFAOYSA-N -1 1 387.473 1.957 20 0 GDADMM CSc1ccc(C)c(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000826230159 947673819 /nfs/dbraw/zinc/67/38/19/947673819.db2.gz HLASCBNVINBZCD-UHFFFAOYSA-N -1 1 387.473 1.957 20 0 GDADMM C[C@H](C(=O)N1CCC(C)(Nc2ccc(-c3nnn[n-]3)nn2)CC1)C(C)(F)F ZINC001573620297 947678551 /nfs/dbraw/zinc/67/85/51/947678551.db2.gz ZIXVLQFZMGDMBZ-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](C(=O)N1CCC(C)(Nc2ccc(-c3nn[n-]n3)nn2)CC1)C(C)(F)F ZINC001573620297 947678555 /nfs/dbraw/zinc/67/85/55/947678555.db2.gz ZIXVLQFZMGDMBZ-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM C/C(=C\C(=O)N1CC[C@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@H]21)C1CC1 ZINC001573366797 947745165 /nfs/dbraw/zinc/74/51/65/947745165.db2.gz YLSFSIITMAIYNO-MWHIQHKOSA-N -1 1 380.456 1.359 20 0 GDADMM C/C(=C\C(=O)N1CC[C@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@H]21)C1CC1 ZINC001573366797 947745169 /nfs/dbraw/zinc/74/51/69/947745169.db2.gz YLSFSIITMAIYNO-MWHIQHKOSA-N -1 1 380.456 1.359 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1)C(C)(F)F ZINC001573628301 947750064 /nfs/dbraw/zinc/75/00/64/947750064.db2.gz KLPXWWZWYJDQOM-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1)C(C)(F)F ZINC001573628301 947750072 /nfs/dbraw/zinc/75/00/72/947750072.db2.gz KLPXWWZWYJDQOM-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1)C(C)(C)C ZINC001573628823 947764766 /nfs/dbraw/zinc/76/47/66/947764766.db2.gz KNEPYKWGFQCXOD-MCIONIFRSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1)C(C)(C)C ZINC001573628823 947764772 /nfs/dbraw/zinc/76/47/72/947764772.db2.gz KNEPYKWGFQCXOD-MCIONIFRSA-N -1 1 384.488 1.909 20 0 GDADMM Cc1cc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)n(-c2ccc(F)cc2)n1 ZINC000826269963 947779987 /nfs/dbraw/zinc/77/99/87/947779987.db2.gz DWRHZBQLBQYYPT-UHFFFAOYSA-N -1 1 382.359 1.978 20 0 GDADMM Cc1cc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)n(-c2ccc(F)cc2)n1 ZINC000826269963 947779994 /nfs/dbraw/zinc/77/99/94/947779994.db2.gz DWRHZBQLBQYYPT-UHFFFAOYSA-N -1 1 382.359 1.978 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1)C(F)(F)F ZINC001573629798 947784573 /nfs/dbraw/zinc/78/45/73/947784573.db2.gz VTETULFVEUKDNT-NXEZZACHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1)C(F)(F)F ZINC001573629798 947784580 /nfs/dbraw/zinc/78/45/80/947784580.db2.gz VTETULFVEUKDNT-NXEZZACHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@@H]1CCNc1ccnc(-c2nn[n-]n2)n1)C1CCC1 ZINC001573629816 947784633 /nfs/dbraw/zinc/78/46/33/947784633.db2.gz VWTOXZUFGDBFQT-UKRRQHHQSA-N -1 1 384.488 1.698 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@H]1[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573372920 947786558 /nfs/dbraw/zinc/78/65/58/947786558.db2.gz GAXGMWMCQREHIX-HIFRSBDPSA-N -1 1 386.460 1.598 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@H]1[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573372920 947786566 /nfs/dbraw/zinc/78/65/66/947786566.db2.gz GAXGMWMCQREHIX-HIFRSBDPSA-N -1 1 386.460 1.598 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001573630755 947795415 /nfs/dbraw/zinc/79/54/15/947795415.db2.gz RXVDKYKROBSGGI-KBPBESRZSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001573630755 947795422 /nfs/dbraw/zinc/79/54/22/947795422.db2.gz RXVDKYKROBSGGI-KBPBESRZSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001573631493 947802565 /nfs/dbraw/zinc/80/25/65/947802565.db2.gz VNFOASIHVLNSPF-KBPBESRZSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001573631493 947802573 /nfs/dbraw/zinc/80/25/73/947802573.db2.gz VNFOASIHVLNSPF-KBPBESRZSA-N -1 1 381.444 1.147 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C12CCC2 ZINC001573375001 947813585 /nfs/dbraw/zinc/81/35/85/947813585.db2.gz LPJIYIRTLHULTA-OLZOCXBDSA-N -1 1 384.444 1.255 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C12CCC2 ZINC001573375001 947813591 /nfs/dbraw/zinc/81/35/91/947813591.db2.gz LPJIYIRTLHULTA-OLZOCXBDSA-N -1 1 384.444 1.255 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@H]([C@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573375602 947821292 /nfs/dbraw/zinc/82/12/92/947821292.db2.gz SIOZCPUFRIHCTC-KBPBESRZSA-N -1 1 386.460 1.455 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@H]([C@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573375602 947821303 /nfs/dbraw/zinc/82/13/03/947821303.db2.gz SIOZCPUFRIHCTC-KBPBESRZSA-N -1 1 386.460 1.455 20 0 GDADMM C[C@@H](C(=O)N1CCCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1)C1CCC1 ZINC001573637746 947821545 /nfs/dbraw/zinc/82/15/45/947821545.db2.gz OXTNTXCXCKYWJV-TZMCWYRMSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](C(=O)N1CCCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1)C1CCC1 ZINC001573637746 947821552 /nfs/dbraw/zinc/82/15/52/947821552.db2.gz OXTNTXCXCKYWJV-TZMCWYRMSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@H]1CN(C)c1cncc(-c2nnn[n-]2)n1)C1CCC1 ZINC001573637793 947823755 /nfs/dbraw/zinc/82/37/55/947823755.db2.gz QTOWRHQWZOLUGM-HIFRSBDPSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@H]1CN(C)c1cncc(-c2nn[n-]n2)n1)C1CCC1 ZINC001573637793 947823763 /nfs/dbraw/zinc/82/37/63/947823763.db2.gz QTOWRHQWZOLUGM-HIFRSBDPSA-N -1 1 384.488 1.910 20 0 GDADMM Cc1ccc(C[C@H](C)C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000826286864 947830161 /nfs/dbraw/zinc/83/01/61/947830161.db2.gz UBLOSJJWVDGVPU-ZDUSSCGKSA-N -1 1 382.472 1.750 20 0 GDADMM Cc1ccc(C[C@H](C)C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000826286864 947830170 /nfs/dbraw/zinc/83/01/70/947830170.db2.gz UBLOSJJWVDGVPU-ZDUSSCGKSA-N -1 1 382.472 1.750 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cccs1 ZINC001573638084 947833554 /nfs/dbraw/zinc/83/35/54/947833554.db2.gz CEVODGQKCMTOPV-NEPJUHHUSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cccs1 ZINC001573638084 947833559 /nfs/dbraw/zinc/83/35/59/947833559.db2.gz CEVODGQKCMTOPV-NEPJUHHUSA-N -1 1 384.469 1.925 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@@H]1CN(C)c1snc(C)c1-c1nn[n-]n1 ZINC001573376334 947834674 /nfs/dbraw/zinc/83/46/74/947834674.db2.gz ZEPOJNRVABFSEC-CYBMUJFWSA-N -1 1 391.501 1.818 20 0 GDADMM Cc1onc(CC(=O)NCc2ccc(C)cc2N2CCOCC2)c1-c1nnn[n-]1 ZINC000826288039 947837936 /nfs/dbraw/zinc/83/79/36/947837936.db2.gz OARMBSVVUKIUKB-UHFFFAOYSA-N -1 1 397.439 1.167 20 0 GDADMM Cc1onc(CC(=O)NCc2ccc(C)cc2N2CCOCC2)c1-c1nn[n-]n1 ZINC000826288039 947837944 /nfs/dbraw/zinc/83/79/44/947837944.db2.gz OARMBSVVUKIUKB-UHFFFAOYSA-N -1 1 397.439 1.167 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001573376794 947841586 /nfs/dbraw/zinc/84/15/86/947841586.db2.gz XZLBQWDLBFTTMT-UONOGXRCSA-N -1 1 386.460 1.503 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001573376794 947841597 /nfs/dbraw/zinc/84/15/97/947841597.db2.gz XZLBQWDLBFTTMT-UONOGXRCSA-N -1 1 386.460 1.503 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001573376792 947842166 /nfs/dbraw/zinc/84/21/66/947842166.db2.gz XZLBQWDLBFTTMT-KBPBESRZSA-N -1 1 386.460 1.503 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001573376792 947842172 /nfs/dbraw/zinc/84/21/72/947842172.db2.gz XZLBQWDLBFTTMT-KBPBESRZSA-N -1 1 386.460 1.503 20 0 GDADMM CC(=O)CCCC(=O)NCC1(Nc2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC001573380917 947866706 /nfs/dbraw/zinc/86/67/06/947866706.db2.gz JXVHVEKETPOYNA-UHFFFAOYSA-N -1 1 383.865 1.797 20 0 GDADMM CC(=O)CCCC(=O)NCC1(Nc2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC001573380917 947866710 /nfs/dbraw/zinc/86/67/10/947866710.db2.gz JXVHVEKETPOYNA-UHFFFAOYSA-N -1 1 383.865 1.797 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CN(c2snc(C)c2-c2nn[n-]n2)CC1(C)C ZINC001573381017 947869514 /nfs/dbraw/zinc/86/95/14/947869514.db2.gz NBBQNXVUIPHCAY-LBPRGKRZSA-N -1 1 391.501 1.722 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cccc(F)c1 ZINC001573646234 947873587 /nfs/dbraw/zinc/87/35/87/947873587.db2.gz IIWLDGQADJHFTF-FZMZJTMJSA-N -1 1 382.403 1.612 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cccc(F)c1 ZINC001573646234 947873589 /nfs/dbraw/zinc/87/35/89/947873589.db2.gz IIWLDGQADJHFTF-FZMZJTMJSA-N -1 1 382.403 1.612 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1)C1CCCC1 ZINC001573647111 947884617 /nfs/dbraw/zinc/88/46/17/947884617.db2.gz CHIBVGPKNDBXAS-AEGPPILISA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1)C1CCCC1 ZINC001573647111 947884624 /nfs/dbraw/zinc/88/46/24/947884624.db2.gz CHIBVGPKNDBXAS-AEGPPILISA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H](C(=O)N[C@@](C)(CNc1nccnc1-c1nnn[n-]1)C1CC1)n1cccc1 ZINC001573652126 947929849 /nfs/dbraw/zinc/92/98/49/947929849.db2.gz BEOUINLHWCATQO-XIKOKIGWSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](C(=O)N[C@@](C)(CNc1nccnc1-c1nn[n-]n1)C1CC1)n1cccc1 ZINC001573652126 947929858 /nfs/dbraw/zinc/92/98/58/947929858.db2.gz BEOUINLHWCATQO-XIKOKIGWSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](C(=O)N[C@@](C)(CNc1cncc(-c2nnn[n-]2)n1)C1CC1)n1cccc1 ZINC001573652585 947942361 /nfs/dbraw/zinc/94/23/61/947942361.db2.gz DWGVHKKIMMOGNO-XIKOKIGWSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](C(=O)N[C@@](C)(CNc1cncc(-c2nn[n-]n2)n1)C1CC1)n1cccc1 ZINC001573652585 947942371 /nfs/dbraw/zinc/94/23/71/947942371.db2.gz DWGVHKKIMMOGNO-XIKOKIGWSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](C(=O)N[C@](C)(CNc1cncc(-c2nnn[n-]2)n1)C1CC1)C(F)(F)F ZINC001573652701 947946543 /nfs/dbraw/zinc/94/65/43/947946543.db2.gz GREBZVONKAETQC-RMLUDKJBSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](C(=O)N[C@](C)(CNc1cncc(-c2nn[n-]n2)n1)C1CC1)C(F)(F)F ZINC001573652701 947946547 /nfs/dbraw/zinc/94/65/47/947946547.db2.gz GREBZVONKAETQC-RMLUDKJBSA-N -1 1 384.366 1.552 20 0 GDADMM Cc1nc(C2(NC(=O)Cc3noc(C)c3-c3nnn[n-]3)CCCCCC2)no1 ZINC000826324619 947947365 /nfs/dbraw/zinc/94/73/65/947947365.db2.gz YIIFAUDVFDTXCI-UHFFFAOYSA-N -1 1 386.416 1.763 20 0 GDADMM Cc1nc(C2(NC(=O)Cc3noc(C)c3-c3nn[n-]n3)CCCCCC2)no1 ZINC000826324619 947947373 /nfs/dbraw/zinc/94/73/73/947947373.db2.gz YIIFAUDVFDTXCI-UHFFFAOYSA-N -1 1 386.416 1.763 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@@]1(C)CCO[C@H]1C ZINC000826328408 947957524 /nfs/dbraw/zinc/95/75/24/947957524.db2.gz QFONDTIUXKXDNX-SGTLLEGYSA-N -1 1 384.444 1.143 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@@]1(C)CCO[C@H]1C ZINC000826328408 947957533 /nfs/dbraw/zinc/95/75/33/947957533.db2.gz QFONDTIUXKXDNX-SGTLLEGYSA-N -1 1 384.444 1.143 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C(C)(C)C)c1ccco1 ZINC001573653902 947959554 /nfs/dbraw/zinc/95/95/54/947959554.db2.gz NUBIJFHALGTNMF-BXUZGUMPSA-N -1 1 384.444 1.996 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C(C)(C)C)c1ccco1 ZINC001573653902 947959562 /nfs/dbraw/zinc/95/95/62/947959562.db2.gz NUBIJFHALGTNMF-BXUZGUMPSA-N -1 1 384.444 1.996 20 0 GDADMM CC(C(=O)N[C@H](C)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)=C1CCC1 ZINC001573653645 947960331 /nfs/dbraw/zinc/96/03/31/947960331.db2.gz MRQZPMPBZWKZHQ-HIFRSBDPSA-N -1 1 382.472 1.878 20 0 GDADMM CC(C(=O)N[C@H](C)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)=C1CCC1 ZINC001573653645 947960334 /nfs/dbraw/zinc/96/03/34/947960334.db2.gz MRQZPMPBZWKZHQ-HIFRSBDPSA-N -1 1 382.472 1.878 20 0 GDADMM C[C@H](C(=O)N[C@@](C)(CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)C1CCCC1 ZINC001573654217 947963522 /nfs/dbraw/zinc/96/35/22/947963522.db2.gz PPRZNYIRVUGLAL-BUXKBTBVSA-N -1 1 384.488 1.602 20 0 GDADMM Cc1nn(C)c(C)c1[C@@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)C(F)(F)F ZINC000826333113 947968555 /nfs/dbraw/zinc/96/85/55/947968555.db2.gz UQHIVXQWJMRIOB-CYBMUJFWSA-N -1 1 398.349 1.476 20 0 GDADMM Cc1nn(C)c(C)c1[C@@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)C(F)(F)F ZINC000826333113 947968560 /nfs/dbraw/zinc/96/85/60/947968560.db2.gz UQHIVXQWJMRIOB-CYBMUJFWSA-N -1 1 398.349 1.476 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)c1ccsc1 ZINC001573655407 947976979 /nfs/dbraw/zinc/97/69/79/947976979.db2.gz XGDOLQNNOPZYCS-GWCFXTLKSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)c1ccsc1 ZINC001573655407 947976982 /nfs/dbraw/zinc/97/69/82/947976982.db2.gz XGDOLQNNOPZYCS-GWCFXTLKSA-N -1 1 384.469 1.829 20 0 GDADMM Cc1onc(CC(=O)N2CC(c3nc4ccccc4s3)C2)c1-c1nnn[n-]1 ZINC000826343892 947998175 /nfs/dbraw/zinc/99/81/75/947998175.db2.gz QCWARZFTZHJBNE-UHFFFAOYSA-N -1 1 381.421 1.941 20 0 GDADMM Cc1onc(CC(=O)N2CC(c3nc4ccccc4s3)C2)c1-c1nn[n-]n1 ZINC000826343892 947998180 /nfs/dbraw/zinc/99/81/80/947998180.db2.gz QCWARZFTZHJBNE-UHFFFAOYSA-N -1 1 381.421 1.941 20 0 GDADMM Cc1onc(CC(=O)N2CCN(c3ccccc3Cl)CC2)c1-c1nnn[n-]1 ZINC000826344383 948006333 /nfs/dbraw/zinc/00/63/33/948006333.db2.gz GMKRTNYJNIRQQY-UHFFFAOYSA-N -1 1 387.831 1.708 20 0 GDADMM Cc1onc(CC(=O)N2CCN(c3ccccc3Cl)CC2)c1-c1nn[n-]n1 ZINC000826344383 948006342 /nfs/dbraw/zinc/00/63/42/948006342.db2.gz GMKRTNYJNIRQQY-UHFFFAOYSA-N -1 1 387.831 1.708 20 0 GDADMM Cc1onc(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1-c1nnn[n-]1 ZINC000826344724 948011724 /nfs/dbraw/zinc/01/17/24/948011724.db2.gz QOOXLBYHMVOCMK-UHFFFAOYSA-N -1 1 387.831 1.708 20 0 GDADMM Cc1onc(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1-c1nn[n-]n1 ZINC000826344724 948011735 /nfs/dbraw/zinc/01/17/35/948011735.db2.gz QOOXLBYHMVOCMK-UHFFFAOYSA-N -1 1 387.831 1.708 20 0 GDADMM C[C@@H](C(=O)NC1(CNc2ccc(-c3nnn[n-]3)nn2)CCCC1)c1ccco1 ZINC001573660083 948017938 /nfs/dbraw/zinc/01/79/38/948017938.db2.gz YMEPIQRCMKQSBI-GFCCVEGCSA-N -1 1 382.428 1.894 20 0 GDADMM C[C@@H](C(=O)NC1(CNc2ccc(-c3nn[n-]n3)nn2)CCCC1)c1ccco1 ZINC001573660083 948017944 /nfs/dbraw/zinc/01/79/44/948017944.db2.gz YMEPIQRCMKQSBI-GFCCVEGCSA-N -1 1 382.428 1.894 20 0 GDADMM C[C@@H](C(=O)NC1(CNc2ccc(-c3nnn[n-]3)nn2)CCCC1)[C@@H]1CCCO1 ZINC001573660075 948019236 /nfs/dbraw/zinc/01/92/36/948019236.db2.gz XWYSZUXNNSXVIU-OCCSQVGLSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](C(=O)NC1(CNc2ccc(-c3nn[n-]n3)nn2)CCCC1)[C@@H]1CCCO1 ZINC001573660075 948019246 /nfs/dbraw/zinc/01/92/46/948019246.db2.gz XWYSZUXNNSXVIU-OCCSQVGLSA-N -1 1 386.460 1.313 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](C)c2cccc(-n3ccnc3)c2)c1-c1nn[n-]n1 ZINC000826345062 948019518 /nfs/dbraw/zinc/01/95/18/948019518.db2.gz AUVZXOKOADJSML-NSHDSACASA-N -1 1 378.396 1.769 20 0 GDADMM Cc1onc(CC(=O)N[C@H](C)[C@H](O)c2c(F)cccc2Cl)c1-c1nnn[n-]1 ZINC000826345388 948023588 /nfs/dbraw/zinc/02/35/88/948023588.db2.gz KHZRGKCVEHNQCM-MLXNANBUSA-N -1 1 394.794 1.736 20 0 GDADMM Cc1onc(CC(=O)N[C@H](C)[C@H](O)c2c(F)cccc2Cl)c1-c1nn[n-]n1 ZINC000826345388 948023599 /nfs/dbraw/zinc/02/35/99/948023599.db2.gz KHZRGKCVEHNQCM-MLXNANBUSA-N -1 1 394.794 1.736 20 0 GDADMM Cc1onc(CC(=O)N[C@H](c2nccn2C)c2ccc(F)cc2)c1-c1nnn[n-]1 ZINC000826345582 948025400 /nfs/dbraw/zinc/02/54/00/948025400.db2.gz OKIUNPCMGWNYQI-INIZCTEOSA-N -1 1 396.386 1.484 20 0 GDADMM Cc1onc(CC(=O)N[C@H](c2nccn2C)c2ccc(F)cc2)c1-c1nn[n-]n1 ZINC000826345582 948025407 /nfs/dbraw/zinc/02/54/07/948025407.db2.gz OKIUNPCMGWNYQI-INIZCTEOSA-N -1 1 396.386 1.484 20 0 GDADMM C[C@@H](C(=O)NC1(CNc2cnc(-c3nnn[n-]3)cn2)CCCC1)n1cccc1 ZINC001573662409 948025952 /nfs/dbraw/zinc/02/59/52/948025952.db2.gz DFYJAOBGKJZQJM-ZDUSSCGKSA-N -1 1 381.444 1.560 20 0 GDADMM C[C@@H](C(=O)NC1(CNc2cnc(-c3nn[n-]n3)cn2)CCCC1)n1cccc1 ZINC001573662409 948025958 /nfs/dbraw/zinc/02/59/58/948025958.db2.gz DFYJAOBGKJZQJM-ZDUSSCGKSA-N -1 1 381.444 1.560 20 0 GDADMM C[C@H](C(=O)NC1(CNc2cncc(-c3nnn[n-]3)n2)CCCC1)n1cccc1 ZINC001573663536 948038821 /nfs/dbraw/zinc/03/88/21/948038821.db2.gz NWJZMDCOOMAJQR-CYBMUJFWSA-N -1 1 381.444 1.560 20 0 GDADMM C[C@H](C(=O)NC1(CNc2cncc(-c3nn[n-]n3)n2)CCCC1)n1cccc1 ZINC001573663536 948038828 /nfs/dbraw/zinc/03/88/28/948038828.db2.gz NWJZMDCOOMAJQR-CYBMUJFWSA-N -1 1 381.444 1.560 20 0 GDADMM Cc1onc(CC(=O)NCC(=O)Nc2cccc3cccnc32)c1-c1nnn[n-]1 ZINC000826346472 948040203 /nfs/dbraw/zinc/04/02/03/948040203.db2.gz NNWCQWOBTZMIOF-UHFFFAOYSA-N -1 1 392.379 1.009 20 0 GDADMM Cc1onc(CC(=O)NCC(=O)Nc2cccc3cccnc32)c1-c1nn[n-]n1 ZINC000826346472 948040211 /nfs/dbraw/zinc/04/02/11/948040211.db2.gz NNWCQWOBTZMIOF-UHFFFAOYSA-N -1 1 392.379 1.009 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1)C(F)(F)F ZINC001573663899 948044264 /nfs/dbraw/zinc/04/42/64/948044264.db2.gz BISFUASOYIQCBB-UWVGGRQHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1)C(F)(F)F ZINC001573663899 948044273 /nfs/dbraw/zinc/04/42/73/948044273.db2.gz BISFUASOYIQCBB-UWVGGRQHSA-N -1 1 384.366 1.330 20 0 GDADMM Cc1onc(CC(=O)NCCOc2cccc(C(F)(F)F)c2)c1-c1nnn[n-]1 ZINC000826347101 948048110 /nfs/dbraw/zinc/04/81/10/948048110.db2.gz FIENECFAARINMO-UHFFFAOYSA-N -1 1 396.329 1.920 20 0 GDADMM Cc1onc(CC(=O)NCCOc2cccc(C(F)(F)F)c2)c1-c1nn[n-]n1 ZINC000826347101 948048117 /nfs/dbraw/zinc/04/81/17/948048117.db2.gz FIENECFAARINMO-UHFFFAOYSA-N -1 1 396.329 1.920 20 0 GDADMM Cc1onc(CC(=O)NCC[C@@H](C)NC(=O)OC(C)(C)C)c1-c1nnn[n-]1 ZINC000826347547 948055190 /nfs/dbraw/zinc/05/51/90/948055190.db2.gz UZKXGQMJKFMGII-SECBINFHSA-N -1 1 379.421 1.125 20 0 GDADMM Cc1onc(CC(=O)NCC[C@@H](C)NC(=O)OC(C)(C)C)c1-c1nn[n-]n1 ZINC000826347547 948055199 /nfs/dbraw/zinc/05/51/99/948055199.db2.gz UZKXGQMJKFMGII-SECBINFHSA-N -1 1 379.421 1.125 20 0 GDADMM Cc1onc(CC(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)c1-c1nnn[n-]1 ZINC000826347670 948057397 /nfs/dbraw/zinc/05/73/97/948057397.db2.gz ZIIDCBJSQVQJIV-KSSFIOAISA-N -1 1 382.424 1.990 20 0 GDADMM Cc1onc(CC(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)c1-c1nn[n-]n1 ZINC000826347670 948057405 /nfs/dbraw/zinc/05/74/05/948057405.db2.gz ZIIDCBJSQVQJIV-KSSFIOAISA-N -1 1 382.424 1.990 20 0 GDADMM C[C@H](C(=O)NC1(CNc2cnc(-c3nnn[n-]3)cn2)CCCC1)c1ccco1 ZINC001573664715 948059386 /nfs/dbraw/zinc/05/93/86/948059386.db2.gz XNBRHCRYCWDTNI-LBPRGKRZSA-N -1 1 382.428 1.894 20 0 GDADMM C[C@H](C(=O)NC1(CNc2cnc(-c3nn[n-]n3)cn2)CCCC1)c1ccco1 ZINC001573664715 948059392 /nfs/dbraw/zinc/05/93/92/948059392.db2.gz XNBRHCRYCWDTNI-LBPRGKRZSA-N -1 1 382.428 1.894 20 0 GDADMM Cc1onc(CC(=O)NCc2ccnc(OCC(F)(F)F)c2)c1-c1nnn[n-]1 ZINC000826348090 948066013 /nfs/dbraw/zinc/06/60/13/948066013.db2.gz TYRYANRZTNDHFR-UHFFFAOYSA-N -1 1 397.317 1.358 20 0 GDADMM Cc1onc(CC(=O)NCc2ccnc(OCC(F)(F)F)c2)c1-c1nn[n-]n1 ZINC000826348090 948066019 /nfs/dbraw/zinc/06/60/19/948066019.db2.gz TYRYANRZTNDHFR-UHFFFAOYSA-N -1 1 397.317 1.358 20 0 GDADMM Cc1onc(CC(=O)NCc2ccc(-n3ccnc3)c(F)c2)c1-c1nn[n-]n1 ZINC000826348085 948066175 /nfs/dbraw/zinc/06/61/75/948066175.db2.gz SXXSVQJIFIRQPH-UHFFFAOYSA-N -1 1 382.359 1.347 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2)C(C)(C)C ZINC001573665122 948070265 /nfs/dbraw/zinc/07/02/65/948070265.db2.gz JBRDTGNRURBWDA-CHWSQXEVSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2)C(C)(C)C ZINC001573665122 948070273 /nfs/dbraw/zinc/07/02/73/948070273.db2.gz JBRDTGNRURBWDA-CHWSQXEVSA-N -1 1 384.488 1.814 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)c1-c1nnn[n-]1 ZINC000826348317 948070410 /nfs/dbraw/zinc/07/04/10/948070410.db2.gz GWIOHTWTVYABBG-CQSZACIVSA-N -1 1 384.396 1.902 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)c1-c1nn[n-]n1 ZINC000826348317 948070420 /nfs/dbraw/zinc/07/04/20/948070420.db2.gz GWIOHTWTVYABBG-CQSZACIVSA-N -1 1 384.396 1.902 20 0 GDADMM CC(=O)N(c1ccc(Nc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)cc1)[C@H]1C[C@@H]1C ZINC001573414131 948091493 /nfs/dbraw/zinc/09/14/93/948091493.db2.gz HLZBCCQULPNXLC-ZANVPECISA-N -1 1 396.411 1.171 20 0 GDADMM CC(=O)N(Cc1ccccc1)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573414500 948095702 /nfs/dbraw/zinc/09/57/02/948095702.db2.gz KJWMNCXBNFJSSG-INIZCTEOSA-N -1 1 378.440 1.674 20 0 GDADMM CC(=O)N(Cc1ccccc1)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573414500 948095709 /nfs/dbraw/zinc/09/57/09/948095709.db2.gz KJWMNCXBNFJSSG-INIZCTEOSA-N -1 1 378.440 1.674 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1F ZINC001573674533 948119382 /nfs/dbraw/zinc/11/93/82/948119382.db2.gz NUPIWNXTUVZKHS-VXGBXAGGSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1F ZINC001573674533 948119391 /nfs/dbraw/zinc/11/93/91/948119391.db2.gz NUPIWNXTUVZKHS-VXGBXAGGSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@@H](C(=O)NC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1cccs1 ZINC001573677485 948138391 /nfs/dbraw/zinc/13/83/91/948138391.db2.gz AZKLRAAVALXITM-PWSUYJOCSA-N -1 1 384.469 1.251 20 0 GDADMM C[C@H](C(=O)N[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C)C1CCCC1 ZINC001573677803 948141790 /nfs/dbraw/zinc/14/17/90/948141790.db2.gz FHKUOSKBJIEAIL-JSGCOSHPSA-N -1 1 384.488 1.814 20 0 GDADMM CC(=O)N1C[C@@H](C)O[C@@]2(CCN(c3snc(Cl)c3-c3nnn[n-]3)C2)C1 ZINC001573427421 948164972 /nfs/dbraw/zinc/16/49/72/948164972.db2.gz YGVOTTZEQCXEBD-XLKFXECMSA-N -1 1 383.865 1.193 20 0 GDADMM CC(=O)N1C[C@@H](C)O[C@@]2(CCN(c3snc(Cl)c3-c3nn[n-]n3)C2)C1 ZINC001573427421 948164977 /nfs/dbraw/zinc/16/49/77/948164977.db2.gz YGVOTTZEQCXEBD-XLKFXECMSA-N -1 1 383.865 1.193 20 0 GDADMM C[C@H](C(=O)NC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1)c1ccsc1 ZINC001573680492 948180755 /nfs/dbraw/zinc/18/07/55/948180755.db2.gz OEQKRQYPBNBLSW-GWCFXTLKSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1)c1ccsc1 ZINC001573680492 948180763 /nfs/dbraw/zinc/18/07/63/948180763.db2.gz OEQKRQYPBNBLSW-GWCFXTLKSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)NC[C@@]1(C)CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1CCC1 ZINC001573690564 948226139 /nfs/dbraw/zinc/22/61/39/948226139.db2.gz DPVHWJGJADUNDM-BFUOFWGJSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NC[C@@]1(C)CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1CCC1 ZINC001573690564 948226147 /nfs/dbraw/zinc/22/61/47/948226147.db2.gz DPVHWJGJADUNDM-BFUOFWGJSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NC[C@H](O)CNc1snc(Cl)c1-c1nnn[n-]1)C1CCC1 ZINC001573690838 948232155 /nfs/dbraw/zinc/23/21/55/948232155.db2.gz FTRWFUSIYFBBST-APPZFPTMSA-N -1 1 385.881 1.302 20 0 GDADMM C[C@@H](C(=O)NC[C@H](O)CNc1snc(Cl)c1-c1nn[n-]n1)C1CCC1 ZINC001573690838 948232165 /nfs/dbraw/zinc/23/21/65/948232165.db2.gz FTRWFUSIYFBBST-APPZFPTMSA-N -1 1 385.881 1.302 20 0 GDADMM C[C@@H](C(=O)NC[C@H](O)CNc1snc(Cl)c1-c1nnn[n-]1)C(C)(C)C ZINC001573692663 948269627 /nfs/dbraw/zinc/26/96/27/948269627.db2.gz QFIHAQBNLOIWRW-YUMQZZPRSA-N -1 1 387.897 1.548 20 0 GDADMM C[C@@H](C(=O)NC[C@H](O)CNc1snc(Cl)c1-c1nn[n-]n1)C(C)(C)C ZINC001573692663 948269633 /nfs/dbraw/zinc/26/96/33/948269633.db2.gz QFIHAQBNLOIWRW-YUMQZZPRSA-N -1 1 387.897 1.548 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573704323 948369999 /nfs/dbraw/zinc/36/99/99/948369999.db2.gz APHXEZBACHLAOO-RYUDHWBXSA-N -1 1 384.469 1.464 20 0 GDADMM O=C(c1cccc(NCc2ccnc(-c3nnn[n-]3)c2)c1)N1CCC[C@@H](O)C1 ZINC000826474216 948373886 /nfs/dbraw/zinc/37/38/86/948373886.db2.gz GQSOACJJGGRUJQ-MRXNPFEDSA-N -1 1 379.424 1.471 20 0 GDADMM O=C(c1cccc(NCc2ccnc(-c3nn[n-]n3)c2)c1)N1CCC[C@@H](O)C1 ZINC000826474216 948373894 /nfs/dbraw/zinc/37/38/94/948373894.db2.gz GQSOACJJGGRUJQ-MRXNPFEDSA-N -1 1 379.424 1.471 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccsc1 ZINC001573708329 948448413 /nfs/dbraw/zinc/44/84/13/948448413.db2.gz UCRDVQAJHHINHV-NWDGAFQWSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccsc1 ZINC001573708329 948448419 /nfs/dbraw/zinc/44/84/19/948448419.db2.gz UCRDVQAJHHINHV-NWDGAFQWSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@H](C(=O)NCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)c1ccco1 ZINC001573708756 948457279 /nfs/dbraw/zinc/45/72/79/948457279.db2.gz XDHVRNGVFXGGDE-LBPRGKRZSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@H](C(=O)NCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)c1ccco1 ZINC001573708756 948457281 /nfs/dbraw/zinc/45/72/81/948457281.db2.gz XDHVRNGVFXGGDE-LBPRGKRZSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@@H](C(=O)NCC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001573713828 948467864 /nfs/dbraw/zinc/46/78/64/948467864.db2.gz BWJFMLREUCZDSO-UONOGXRCSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](C(=O)NCC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001573713828 948467871 /nfs/dbraw/zinc/46/78/71/948467871.db2.gz BWJFMLREUCZDSO-UONOGXRCSA-N -1 1 381.444 1.052 20 0 GDADMM CC(C(=O)NCCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)=C1CCC1 ZINC001573714103 948469573 /nfs/dbraw/zinc/46/95/73/948469573.db2.gz DPTRRPVJSMVPNL-UHFFFAOYSA-N -1 1 382.472 1.880 20 0 GDADMM CC(C(=O)NCCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)=C1CCC1 ZINC001573714103 948469578 /nfs/dbraw/zinc/46/95/78/948469578.db2.gz DPTRRPVJSMVPNL-UHFFFAOYSA-N -1 1 382.472 1.880 20 0 GDADMM CC(C)[C@@H](CCNC(=O)[C@@H](C)c1ccco1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573716893 948502486 /nfs/dbraw/zinc/50/24/86/948502486.db2.gz JLTHCQFNOWYNFG-QWHCGFSZSA-N -1 1 384.444 1.996 20 0 GDADMM CC(C)[C@@H](CCNC(=O)[C@@H](C)c1ccco1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573716893 948502490 /nfs/dbraw/zinc/50/24/90/948502490.db2.gz JLTHCQFNOWYNFG-QWHCGFSZSA-N -1 1 384.444 1.996 20 0 GDADMM C[C@H](C(=O)NCC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C)C1CCC1 ZINC001573718339 948516256 /nfs/dbraw/zinc/51/62/56/948516256.db2.gz QUAUAEDPVSJEFT-VNHYZAJKSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@H](C(=O)NCC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C)C1CCC1 ZINC001573718339 948516260 /nfs/dbraw/zinc/51/62/60/948516260.db2.gz QUAUAEDPVSJEFT-VNHYZAJKSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1nc(-c2nn[n-]n2)c(Cl)s1)C(C)(F)F ZINC001573718750 948519833 /nfs/dbraw/zinc/51/98/33/948519833.db2.gz KDKXSIYGIRGNOF-LURJTMIESA-N -1 1 379.824 1.820 20 0 GDADMM C[C@@H](C(=O)NCC[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1)c1cccc(F)c1 ZINC001573719340 948524325 /nfs/dbraw/zinc/52/43/25/948524325.db2.gz VKKNCPCILCRGAX-NWDGAFQWSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@@H](C(=O)NCC[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1)c1cccc(F)c1 ZINC001573719340 948524330 /nfs/dbraw/zinc/52/43/30/948524330.db2.gz VKKNCPCILCRGAX-NWDGAFQWSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1nc(Cl)c(-c2nnn[n-]2)s1)c1cccnc1 ZINC001573721298 948540179 /nfs/dbraw/zinc/54/01/79/948540179.db2.gz WSOMSNULDNDMEI-SECBINFHSA-N -1 1 392.876 1.728 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1nc(Cl)c(-c2nn[n-]n2)s1)c1cccnc1 ZINC001573721298 948540184 /nfs/dbraw/zinc/54/01/84/948540184.db2.gz WSOMSNULDNDMEI-SECBINFHSA-N -1 1 392.876 1.728 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001573727324 948553937 /nfs/dbraw/zinc/55/39/37/948553937.db2.gz MDAVOHMDYYXIQO-FRRDWIJNSA-N -1 1 382.428 1.172 20 0 GDADMM C[C@@H](C(=O)NC[C@]12CCC[C@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2)C1CC1 ZINC001573727616 948556453 /nfs/dbraw/zinc/55/64/53/948556453.db2.gz ATBUCRHJXRECNL-KPAZRMRSSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](C(=O)NC[C@]12CCC[C@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2)C1CC1 ZINC001573727616 948556457 /nfs/dbraw/zinc/55/64/57/948556457.db2.gz ATBUCRHJXRECNL-KPAZRMRSSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](C(=O)NCc1ccc2c(c1)CN(c1nccnc1-c1nnn[n-]1)C2)C1CC1 ZINC001573730982 948587607 /nfs/dbraw/zinc/58/76/07/948587607.db2.gz UQTZPJBJUOWEJP-LBPRGKRZSA-N -1 1 390.451 1.839 20 0 GDADMM C[C@H](C(=O)NCc1ccc2c(c1)CN(c1nccnc1-c1nn[n-]n1)C2)C1CC1 ZINC001573730982 948587614 /nfs/dbraw/zinc/58/76/14/948587614.db2.gz UQTZPJBJUOWEJP-LBPRGKRZSA-N -1 1 390.451 1.839 20 0 GDADMM C[C@@H](NC(=O)[C@@H](C)C1CCC1)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573739968 948625354 /nfs/dbraw/zinc/62/53/54/948625354.db2.gz JAWPMXOZAAMFGM-QWHCGFSZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](NC(=O)[C@@H](C)C1CCC1)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573739968 948625359 /nfs/dbraw/zinc/62/53/59/948625359.db2.gz JAWPMXOZAAMFGM-QWHCGFSZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1)c1cccnc1 ZINC001573740833 948642834 /nfs/dbraw/zinc/64/28/34/948642834.db2.gz TYSDMKSKXBUSMS-ZCDTZLGTSA-N -1 1 391.439 1.081 20 0 GDADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1)c1cccnc1 ZINC001573740833 948642837 /nfs/dbraw/zinc/64/28/37/948642837.db2.gz TYSDMKSKXBUSMS-ZCDTZLGTSA-N -1 1 391.439 1.081 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC001573742275 948661094 /nfs/dbraw/zinc/66/10/94/948661094.db2.gz JUTKSDCHRKXYRB-MNOVXSKESA-N -1 1 386.847 1.452 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1)c1cccs1 ZINC001573748420 948696666 /nfs/dbraw/zinc/69/66/66/948696666.db2.gz SWTNEDOQYHLAIJ-IJLUTSLNSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1)c1cccs1 ZINC001573748420 948696669 /nfs/dbraw/zinc/69/66/69/948696669.db2.gz SWTNEDOQYHLAIJ-IJLUTSLNSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)Nc1nc2ccccc2n1CC1CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001573754716 948745896 /nfs/dbraw/zinc/74/58/96/948745896.db2.gz IYESWAUTPYNGMY-SNVBAGLBSA-N -1 1 378.400 1.418 20 0 GDADMM CC(C)c1ccc(C(=O)NC[C@@H](C)N(C)c2ccnc(-c3nn[n-]n3)n2)nc1 ZINC001574416328 948747574 /nfs/dbraw/zinc/74/75/74/948747574.db2.gz QWNJXRKKKOUYSS-GFCCVEGCSA-N -1 1 381.444 1.430 20 0 GDADMM CC(C)[C@H](F)C(=O)N1CC[C@@]2(C1)CCCN(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001574075888 948750349 /nfs/dbraw/zinc/75/03/49/948750349.db2.gz ZSNDWXMLZLXMQW-YJBOKZPZSA-N -1 1 388.451 1.470 20 0 GDADMM CC(C)[C@H](F)C(=O)N1CC[C@@]2(C1)CCCN(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001574075888 948750360 /nfs/dbraw/zinc/75/03/60/948750360.db2.gz ZSNDWXMLZLXMQW-YJBOKZPZSA-N -1 1 388.451 1.470 20 0 GDADMM CC(C)c1ccc(NC(=O)NCCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)cc1 ZINC001574416678 948757315 /nfs/dbraw/zinc/75/73/15/948757315.db2.gz CXASRSPJKFUCGN-UHFFFAOYSA-N -1 1 384.400 1.074 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CCCC1 ZINC001575223339 948765155 /nfs/dbraw/zinc/76/51/55/948765155.db2.gz AHURPIBCQKLUNR-LBPRGKRZSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CCCC1 ZINC001575223339 948765164 /nfs/dbraw/zinc/76/51/64/948765164.db2.gz AHURPIBCQKLUNR-LBPRGKRZSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CC(=O)N[C@@]12CCC[C@@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001575223488 948767338 /nfs/dbraw/zinc/76/73/38/948767338.db2.gz BYWXUNOHGSBPHW-MEDUHNTESA-N -1 1 378.387 1.320 20 0 GDADMM CC(F)(F)CC(=O)N[C@@]12CCC[C@@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001575223488 948767345 /nfs/dbraw/zinc/76/73/45/948767345.db2.gz BYWXUNOHGSBPHW-MEDUHNTESA-N -1 1 378.387 1.320 20 0 GDADMM C[C@H](CNC(=O)CCc1ccccc1F)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574915756 948770628 /nfs/dbraw/zinc/77/06/28/948770628.db2.gz XLAVAOUGVYAJJE-GFCCVEGCSA-N -1 1 384.419 1.370 20 0 GDADMM C[C@H](CNC(=O)CCc1ccccc1F)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574915756 948770637 /nfs/dbraw/zinc/77/06/37/948770637.db2.gz XLAVAOUGVYAJJE-GFCCVEGCSA-N -1 1 384.419 1.370 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)Cc1ccc2c(c1)CCC2 ZINC001574679289 948773198 /nfs/dbraw/zinc/77/31/98/948773198.db2.gz RXYKEIGOJKGZOU-ZDUSSCGKSA-N -1 1 392.467 1.695 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)Cc1ccc2c(c1)CCC2 ZINC001574679289 948773210 /nfs/dbraw/zinc/77/32/10/948773210.db2.gz RXYKEIGOJKGZOU-ZDUSSCGKSA-N -1 1 392.467 1.695 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575223937 948774516 /nfs/dbraw/zinc/77/45/16/948774516.db2.gz PWXGZCOKHUFUHN-GHMZBOCLSA-N -1 1 392.414 1.789 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575223937 948774524 /nfs/dbraw/zinc/77/45/24/948774524.db2.gz PWXGZCOKHUFUHN-GHMZBOCLSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)C(C)(C)[C@H]1CCCCO1 ZINC001574679248 948774700 /nfs/dbraw/zinc/77/47/00/948774700.db2.gz RDSFZNNOWRHPRB-GXTWGEPZSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)C(C)(C)[C@H]1CCCCO1 ZINC001574679248 948774711 /nfs/dbraw/zinc/77/47/11/948774711.db2.gz RDSFZNNOWRHPRB-GXTWGEPZSA-N -1 1 388.476 1.559 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CC[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001575224335 948786021 /nfs/dbraw/zinc/78/60/21/948786021.db2.gz UETLETQOAQATLT-MNOVXSKESA-N -1 1 392.414 1.789 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CC[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575224335 948786031 /nfs/dbraw/zinc/78/60/31/948786031.db2.gz UETLETQOAQATLT-MNOVXSKESA-N -1 1 392.414 1.789 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001574679950 948796108 /nfs/dbraw/zinc/79/61/08/948796108.db2.gz CJSKGRBSUCZUEH-FPMFFAJLSA-N -1 1 386.460 1.026 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001574679950 948796118 /nfs/dbraw/zinc/79/61/18/948796118.db2.gz CJSKGRBSUCZUEH-FPMFFAJLSA-N -1 1 386.460 1.026 20 0 GDADMM C[C@@H](C(=O)Nc1cc2n[nH]cc2c(C(F)(F)F)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001573756168 948799880 /nfs/dbraw/zinc/79/98/80/948799880.db2.gz MTZYQKYWABEZNI-LURJTMIESA-N -1 1 392.305 1.553 20 0 GDADMM CC(C)[C@H](F)C(=O)N[C@@H](C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574080784 948805895 /nfs/dbraw/zinc/80/58/95/948805895.db2.gz NJRSSYDCGLEQLQ-NHYWBVRUSA-N -1 1 376.440 1.372 20 0 GDADMM CC(C)[C@H](F)C(=O)N[C@@H](C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574080784 948805914 /nfs/dbraw/zinc/80/59/14/948805914.db2.gz NJRSSYDCGLEQLQ-NHYWBVRUSA-N -1 1 376.440 1.372 20 0 GDADMM CC(C)c1ccoc1C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574420865 948806762 /nfs/dbraw/zinc/80/67/62/948806762.db2.gz CFQWFHAQIHZOFD-DGCLKSJQSA-N -1 1 382.428 1.368 20 0 GDADMM CC(C)c1ccoc1C(=O)N1CC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574421786 948822345 /nfs/dbraw/zinc/82/23/45/948822345.db2.gz PBCXVHXASVMMIH-LBPRGKRZSA-N -1 1 382.428 1.724 20 0 GDADMM CC(C)c1ccoc1C(=O)N1CC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574421786 948822363 /nfs/dbraw/zinc/82/23/63/948822363.db2.gz PBCXVHXASVMMIH-LBPRGKRZSA-N -1 1 382.428 1.724 20 0 GDADMM C[C@@H](C(=O)Nc1ccc(C(=O)OC(C)(C)C)cn1)n1cnc(-c2nn[n-]n2)n1 ZINC001573756929 948824232 /nfs/dbraw/zinc/82/42/32/948824232.db2.gz VUSIQTSDRQAJGS-VIFPVBQESA-N -1 1 385.388 1.008 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cc2n(c1)CCCC2 ZINC001574682156 948827482 /nfs/dbraw/zinc/82/74/82/948827482.db2.gz PELDMCJFUVUEBW-GFCCVEGCSA-N -1 1 381.444 1.415 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cc2n(c1)CCCC2 ZINC001574682156 948827502 /nfs/dbraw/zinc/82/75/02/948827502.db2.gz PELDMCJFUVUEBW-GFCCVEGCSA-N -1 1 381.444 1.415 20 0 GDADMM CC(C)c1ccoc1C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCC1 ZINC001574422264 948831297 /nfs/dbraw/zinc/83/12/97/948831297.db2.gz YDLUKLHBLSBYAH-UHFFFAOYSA-N -1 1 382.428 1.560 20 0 GDADMM CC(C)c1ccsc1C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574424016 948834053 /nfs/dbraw/zinc/83/40/53/948834053.db2.gz AZPSCAVCTNZOGY-SNVBAGLBSA-N -1 1 388.457 1.044 20 0 GDADMM CC(C)c1ccsc1C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574424016 948834073 /nfs/dbraw/zinc/83/40/73/948834073.db2.gz AZPSCAVCTNZOGY-SNVBAGLBSA-N -1 1 388.457 1.044 20 0 GDADMM C[C@@H](CNC(=O)CCCc1ccsc1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574918137 948835120 /nfs/dbraw/zinc/83/51/20/948835120.db2.gz GGCNMTYCIIGJCF-LBPRGKRZSA-N -1 1 386.485 1.682 20 0 GDADMM C[C@@H](CNC(=O)CCCc1ccsc1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574918137 948835130 /nfs/dbraw/zinc/83/51/30/948835130.db2.gz GGCNMTYCIIGJCF-LBPRGKRZSA-N -1 1 386.485 1.682 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001573761161 948838360 /nfs/dbraw/zinc/83/83/60/948838360.db2.gz FGDXEFCOSPFSAS-OKILXGFUSA-N -1 1 382.472 1.663 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001573761161 948838379 /nfs/dbraw/zinc/83/83/79/948838379.db2.gz FGDXEFCOSPFSAS-OKILXGFUSA-N -1 1 382.472 1.663 20 0 GDADMM CC(F)(F)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001575229189 948840436 /nfs/dbraw/zinc/84/04/36/948840436.db2.gz DLCQETHBCZEOEB-ZSBIGDGJSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCOc1ccccc1 ZINC001574683352 948850528 /nfs/dbraw/zinc/85/05/28/948850528.db2.gz YFYWMANOGBYCSD-CYBMUJFWSA-N -1 1 382.428 1.433 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCOc1ccccc1 ZINC001574683352 948850550 /nfs/dbraw/zinc/85/05/50/948850550.db2.gz YFYWMANOGBYCSD-CYBMUJFWSA-N -1 1 382.428 1.433 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)C(F)F ZINC001573762325 948856160 /nfs/dbraw/zinc/85/61/60/948856160.db2.gz TVCWBEUEYFHSIX-AOOOYVTPSA-N -1 1 378.387 1.128 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)C(F)F ZINC001573762325 948856177 /nfs/dbraw/zinc/85/61/77/948856177.db2.gz TVCWBEUEYFHSIX-AOOOYVTPSA-N -1 1 378.387 1.128 20 0 GDADMM CC(C)(C(=O)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001573763098 948865398 /nfs/dbraw/zinc/86/53/98/948865398.db2.gz ASAXAFDTFVYGBL-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)(C(=O)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001573763098 948865419 /nfs/dbraw/zinc/86/54/19/948865419.db2.gz ASAXAFDTFVYGBL-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cccnc1 ZINC001573763785 948877098 /nfs/dbraw/zinc/87/70/98/948877098.db2.gz HONXLOYPXIPFGS-CYBMUJFWSA-N -1 1 379.428 1.042 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cccnc1 ZINC001573763785 948877110 /nfs/dbraw/zinc/87/71/10/948877110.db2.gz HONXLOYPXIPFGS-CYBMUJFWSA-N -1 1 379.428 1.042 20 0 GDADMM CC(C)(C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573764314 948884030 /nfs/dbraw/zinc/88/40/30/948884030.db2.gz MLWWRLSIULAKCM-KGLIPLIRSA-N -1 1 382.472 1.663 20 0 GDADMM CC(C)(C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573764314 948884050 /nfs/dbraw/zinc/88/40/50/948884050.db2.gz MLWWRLSIULAKCM-KGLIPLIRSA-N -1 1 382.472 1.663 20 0 GDADMM CC(C)c1nc(C(=O)NCC2(Nc3cnc(-c4nnn[n-]4)cn3)CC2)cs1 ZINC001574426009 948884985 /nfs/dbraw/zinc/88/49/85/948884985.db2.gz PKCSTIFUALCWGO-UHFFFAOYSA-N -1 1 385.457 1.611 20 0 GDADMM CC(C)c1nc(C(=O)NCC2(Nc3cnc(-c4nn[n-]n4)cn3)CC2)cs1 ZINC001574426009 948884990 /nfs/dbraw/zinc/88/49/90/948884990.db2.gz PKCSTIFUALCWGO-UHFFFAOYSA-N -1 1 385.457 1.611 20 0 GDADMM CC(C)(C(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573764278 948885272 /nfs/dbraw/zinc/88/52/72/948885272.db2.gz LLHPYPJYFARGNE-KBPBESRZSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@@H]1CCCOC1 ZINC001574684807 948887702 /nfs/dbraw/zinc/88/77/02/948887702.db2.gz MYTXRDLWLNRJEU-DTWKUNHWSA-N -1 1 385.881 1.710 20 0 GDADMM CC(C)c1nc([C@@H]2COCCN2c2cc(-c3nnn[n-]3)nc(C3CC3)n2)no1 ZINC001574426618 948891413 /nfs/dbraw/zinc/89/14/13/948891413.db2.gz TVMQWGFDNISVHY-LBPRGKRZSA-N -1 1 383.416 1.618 20 0 GDADMM CC(C)c1nc([C@@H]2COCCN2c2cc(-c3nn[n-]n3)nc(C3CC3)n2)no1 ZINC001574426618 948891431 /nfs/dbraw/zinc/89/14/31/948891431.db2.gz TVMQWGFDNISVHY-LBPRGKRZSA-N -1 1 383.416 1.618 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1 ZINC001573764723 948894017 /nfs/dbraw/zinc/89/40/17/948894017.db2.gz REVQYQFOCWCSNT-CQSZACIVSA-N -1 1 378.440 1.647 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1 ZINC001573764723 948894031 /nfs/dbraw/zinc/89/40/31/948894031.db2.gz REVQYQFOCWCSNT-CQSZACIVSA-N -1 1 378.440 1.647 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)[C@H]1CCCCO1 ZINC001574685047 948901083 /nfs/dbraw/zinc/90/10/83/948901083.db2.gz RRSMYUWYGLYUGY-RKDXNWHRSA-N -1 1 385.881 1.852 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)[C@H]1CCCCO1 ZINC001574685047 948901091 /nfs/dbraw/zinc/90/10/91/948901091.db2.gz RRSMYUWYGLYUGY-RKDXNWHRSA-N -1 1 385.881 1.852 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)c1cnns1 ZINC001574685245 948904050 /nfs/dbraw/zinc/90/40/50/948904050.db2.gz UDDCOQXKDSKFEZ-YFKPBYRVSA-N -1 1 385.866 1.449 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)c1cnns1 ZINC001574685245 948904063 /nfs/dbraw/zinc/90/40/63/948904063.db2.gz UDDCOQXKDSKFEZ-YFKPBYRVSA-N -1 1 385.866 1.449 20 0 GDADMM CC(F)(F)CC(=O)NC[C@]1(C)CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575235029 948907968 /nfs/dbraw/zinc/90/79/68/948907968.db2.gz SHGYADDUFZYWRI-HNNXBMFYSA-N -1 1 380.403 1.425 20 0 GDADMM CC(F)(F)CC(=O)NC[C@]1(C)CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575235029 948907985 /nfs/dbraw/zinc/90/79/85/948907985.db2.gz SHGYADDUFZYWRI-HNNXBMFYSA-N -1 1 380.403 1.425 20 0 GDADMM CC(F)(F)CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001575235226 948916636 /nfs/dbraw/zinc/91/66/36/948916636.db2.gz LUKURAJQSVGZHN-TXEJJXNPSA-N -1 1 392.414 1.662 20 0 GDADMM CC(F)(F)CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001575235226 948916645 /nfs/dbraw/zinc/91/66/45/948916645.db2.gz LUKURAJQSVGZHN-TXEJJXNPSA-N -1 1 392.414 1.662 20 0 GDADMM C[C@H](CNC(=O)CCn1cccn1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574923165 948939179 /nfs/dbraw/zinc/93/91/79/948939179.db2.gz FXHBNKKFJFGJMV-MRVPVSSYSA-N -1 1 381.853 1.180 20 0 GDADMM C[C@H](CNC(=O)CCn1cccn1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574923165 948939194 /nfs/dbraw/zinc/93/91/94/948939194.db2.gz FXHBNKKFJFGJMV-MRVPVSSYSA-N -1 1 381.853 1.180 20 0 GDADMM CC(C)(C(=O)NC1CCC(Nc2nccnc2-c2nnn[n-]2)CC1)C(F)F ZINC001573771882 948949933 /nfs/dbraw/zinc/94/99/33/948949933.db2.gz NNIFWJZDJCXMBY-UHFFFAOYSA-N -1 1 380.403 1.787 20 0 GDADMM CC(C)(C(=O)NC1CCC(Nc2nccnc2-c2nn[n-]n2)CC1)C(F)F ZINC001573771882 948949945 /nfs/dbraw/zinc/94/99/45/948949945.db2.gz NNIFWJZDJCXMBY-UHFFFAOYSA-N -1 1 380.403 1.787 20 0 GDADMM CC(F)(F)CCC(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001575238450 948954291 /nfs/dbraw/zinc/95/42/91/948954291.db2.gz NMURMTHGRVDNAJ-UHFFFAOYSA-N -1 1 386.428 1.027 20 0 GDADMM CC(F)(F)CCC(=O)NC1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001575238948 948958589 /nfs/dbraw/zinc/95/85/89/948958589.db2.gz OGJFLYOWCFLZSP-UHFFFAOYSA-N -1 1 380.403 1.931 20 0 GDADMM CC(F)(F)CCC(=O)NC1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001575238948 948958601 /nfs/dbraw/zinc/95/86/01/948958601.db2.gz OGJFLYOWCFLZSP-UHFFFAOYSA-N -1 1 380.403 1.931 20 0 GDADMM CC(F)(F)CCC(=O)NC[C@@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575239868 948967235 /nfs/dbraw/zinc/96/72/35/948967235.db2.gz WWDAVUVIBXAWMF-NSHDSACASA-N -1 1 380.403 1.567 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575239883 948968174 /nfs/dbraw/zinc/96/81/74/948968174.db2.gz XJAPFYZJMWCPDL-QWRGUYRKSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575239883 948968184 /nfs/dbraw/zinc/96/81/84/948968184.db2.gz XJAPFYZJMWCPDL-QWRGUYRKSA-N -1 1 380.403 1.789 20 0 GDADMM CC(C)(C(=O)N[C@H]1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)C(F)F ZINC001573773025 948972587 /nfs/dbraw/zinc/97/25/87/948972587.db2.gz YNVKWFVDBHOQMD-UWVGGRQHSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C(=O)N[C@H]1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)C(F)F ZINC001573773025 948972592 /nfs/dbraw/zinc/97/25/92/948972592.db2.gz YNVKWFVDBHOQMD-UWVGGRQHSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)C1CC2(C1)CCOCC2 ZINC001574689706 948990484 /nfs/dbraw/zinc/99/04/84/948990484.db2.gz KHFJVQAWFCOYQJ-LBPRGKRZSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)C1CC2(C1)CCOCC2 ZINC001574689706 948990499 /nfs/dbraw/zinc/99/04/99/948990499.db2.gz KHFJVQAWFCOYQJ-LBPRGKRZSA-N -1 1 386.460 1.170 20 0 GDADMM CC(C)c1nnc(N2CCc3[nH]c(=O)c(-c4nn[n-]n4)cc3C2)n1[C@@H]1C[C@@H]1C ZINC001574435651 948997921 /nfs/dbraw/zinc/99/79/21/948997921.db2.gz XAILQSHFYKRDQA-IINYFYTJSA-N -1 1 381.444 1.826 20 0 GDADMM C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001575501748 949013552 /nfs/dbraw/zinc/01/35/52/949013552.db2.gz FGKJAHCTZSRQFY-ZDUSSCGKSA-N -1 1 389.423 1.605 20 0 GDADMM C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001575501748 949013575 /nfs/dbraw/zinc/01/35/75/949013575.db2.gz FGKJAHCTZSRQFY-ZDUSSCGKSA-N -1 1 389.423 1.605 20 0 GDADMM CC(C)(C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1)[C@H]1CCCCO1 ZINC001573774600 949019075 /nfs/dbraw/zinc/01/90/75/949019075.db2.gz ORCUAAPPKJWNOO-CYBMUJFWSA-N -1 1 386.460 1.313 20 0 GDADMM CC(C)(C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1)[C@H]1CCCCO1 ZINC001573774600 949019094 /nfs/dbraw/zinc/01/90/94/949019094.db2.gz ORCUAAPPKJWNOO-CYBMUJFWSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](CN(C)C(=O)C(C)(C)[C@H]1CCCCO1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574692716 949038532 /nfs/dbraw/zinc/03/85/32/949038532.db2.gz AXVAPPFFTBFNNF-GXTWGEPZSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CN(C)C(=O)C(C)(C)[C@H]1CCCCO1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574692716 949038554 /nfs/dbraw/zinc/03/85/54/949038554.db2.gz AXVAPPFFTBFNNF-GXTWGEPZSA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)NC1(CNc2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001574092042 949039977 /nfs/dbraw/zinc/03/99/77/949039977.db2.gz QVFVQJFCAPGCRH-FZKQIMNGSA-N -1 1 384.488 1.602 20 0 GDADMM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)c1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001575503883 949051869 /nfs/dbraw/zinc/05/18/69/949051869.db2.gz MXJZXGHQJMHZCH-ZJUUUORDSA-N -1 1 389.847 1.536 20 0 GDADMM CC(C)c1nocc1C(=O)N(C)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574441114 949053044 /nfs/dbraw/zinc/05/30/44/949053044.db2.gz BQZSXLGOPQOGEE-NSHDSACASA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1nocc1C(=O)N(C)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574441114 949053061 /nfs/dbraw/zinc/05/30/61/949053061.db2.gz BQZSXLGOPQOGEE-NSHDSACASA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1nocc1C(=O)N(C)CCCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574441915 949082636 /nfs/dbraw/zinc/08/26/36/949082636.db2.gz FELQGYOETXLMMU-UHFFFAOYSA-N -1 1 385.432 1.367 20 0 GDADMM CC(C)c1nocc1C(=O)N(C)CCCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574441915 949082654 /nfs/dbraw/zinc/08/26/54/949082654.db2.gz FELQGYOETXLMMU-UHFFFAOYSA-N -1 1 385.432 1.367 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574441862 949083538 /nfs/dbraw/zinc/08/35/38/949083538.db2.gz CXELBYLXFBPJGB-NSHDSACASA-N -1 1 383.416 1.024 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001574441964 949086088 /nfs/dbraw/zinc/08/60/88/949086088.db2.gz GWCKJTURGIEJMV-LBPRGKRZSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001574441964 949086103 /nfs/dbraw/zinc/08/61/03/949086103.db2.gz GWCKJTURGIEJMV-LBPRGKRZSA-N -1 1 383.416 1.389 20 0 GDADMM C[C@H](NC(=O)C1(C(F)F)CC1)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575249426 949099779 /nfs/dbraw/zinc/09/97/79/949099779.db2.gz BSMZFAHLPUPSRL-QWRGUYRKSA-N -1 1 392.414 1.423 20 0 GDADMM CC(C)c1nocc1C(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574443074 949103350 /nfs/dbraw/zinc/10/33/50/949103350.db2.gz UYGMIBXKZPQONI-LLVKDONJSA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1nocc1C(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574443074 949103363 /nfs/dbraw/zinc/10/33/63/949103363.db2.gz UYGMIBXKZPQONI-LLVKDONJSA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)(C(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001573781640 949112808 /nfs/dbraw/zinc/11/28/08/949112808.db2.gz LQYXHIZMYCHWBH-DTORHVGOSA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)(C(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573781640 949112816 /nfs/dbraw/zinc/11/28/16/949112816.db2.gz LQYXHIZMYCHWBH-DTORHVGOSA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574446096 949118463 /nfs/dbraw/zinc/11/84/63/949118463.db2.gz IJNLZZTZNLWSHF-LLVKDONJSA-N -1 1 383.416 1.119 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cc2c(o1)CCCC2 ZINC001574696657 949136565 /nfs/dbraw/zinc/13/65/65/949136565.db2.gz TYSMTEQNQKXHOV-NSHDSACASA-N -1 1 382.428 1.749 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cc2c(o1)CCCC2 ZINC001574696657 949136573 /nfs/dbraw/zinc/13/65/73/949136573.db2.gz TYSMTEQNQKXHOV-NSHDSACASA-N -1 1 382.428 1.749 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)[C@]1(F)CCOC1 ZINC001574696664 949136866 /nfs/dbraw/zinc/13/68/66/949136866.db2.gz UDLHZGMQBNTZOL-CPFSXVBKSA-N -1 1 389.844 1.412 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@]1(F)CCOC1 ZINC001574696664 949136884 /nfs/dbraw/zinc/13/68/84/949136884.db2.gz UDLHZGMQBNTZOL-CPFSXVBKSA-N -1 1 389.844 1.412 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)C1CCOCC1 ZINC001573787174 949165839 /nfs/dbraw/zinc/16/58/39/949165839.db2.gz OATSDVLSLRCVPZ-BETUJISGSA-N -1 1 386.460 1.169 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)C1CCOCC1 ZINC001573787174 949165860 /nfs/dbraw/zinc/16/58/60/949165860.db2.gz OATSDVLSLRCVPZ-BETUJISGSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@H](NC(=O)C1(F)CCCC1)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575252799 949169497 /nfs/dbraw/zinc/16/94/97/949169497.db2.gz HMAQSGYRCZPHCO-QWHCGFSZSA-N -1 1 388.451 1.660 20 0 GDADMM C[C@@H](c1ccccc1)[C@@H](O)CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC001575514660 949170924 /nfs/dbraw/zinc/17/09/24/949170924.db2.gz DLPPHHDOQZPAOX-NHYWBVRUSA-N -1 1 391.428 1.449 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1 ZINC001573787310 949174101 /nfs/dbraw/zinc/17/41/01/949174101.db2.gz SMRGSCXOKWVZCN-HDJSIYSDSA-N -1 1 378.440 1.694 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1 ZINC001573787310 949174115 /nfs/dbraw/zinc/17/41/15/949174115.db2.gz SMRGSCXOKWVZCN-HDJSIYSDSA-N -1 1 378.440 1.694 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H](F)CC1CCCCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574698296 949184482 /nfs/dbraw/zinc/18/44/82/949184482.db2.gz IWMIEIXOGNVPQF-JSGCOSHPSA-N -1 1 390.467 1.646 20 0 GDADMM C[C@H](c1ccccc1F)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1=O ZINC001575515840 949193314 /nfs/dbraw/zinc/19/33/14/949193314.db2.gz LISJHQFFYYDYLO-BXUZGUMPSA-N -1 1 382.403 1.960 20 0 GDADMM C[C@H](c1ccccc1F)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1=O ZINC001575515840 949193325 /nfs/dbraw/zinc/19/33/25/949193325.db2.gz LISJHQFFYYDYLO-BXUZGUMPSA-N -1 1 382.403 1.960 20 0 GDADMM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2O)C1 ZINC001589603210 949205048 /nfs/dbraw/zinc/20/50/48/949205048.db2.gz JCPVBDQUWCQYCF-QGZVFWFLSA-N -1 1 384.454 1.360 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(Cl)cc1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574935623 949205263 /nfs/dbraw/zinc/20/52/63/949205263.db2.gz DNOSOJHEZNCMTF-NSHDSACASA-N -1 1 386.847 1.494 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@@H](C)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574451077 949209344 /nfs/dbraw/zinc/20/93/44/949209344.db2.gz ARQQRDRDFDVCOZ-ZJUUUORDSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@@H](C)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574451077 949209368 /nfs/dbraw/zinc/20/93/68/949209368.db2.gz ARQQRDRDFDVCOZ-ZJUUUORDSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)(C)C(=O)N1CCC([C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001573791558 949220216 /nfs/dbraw/zinc/22/02/16/949220216.db2.gz BYOAGTFVWIMGDW-AWEZNQCLSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)(C)C(=O)N1CCC([C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001573791558 949220236 /nfs/dbraw/zinc/22/02/36/949220236.db2.gz BYOAGTFVWIMGDW-AWEZNQCLSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](NC(=O)C1(C2CC2)CC1)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575255124 949222067 /nfs/dbraw/zinc/22/20/67/949222067.db2.gz PNHCRVCWASUZOM-OLZOCXBDSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](NC(=O)C1(C2CC2)CC1)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575255124 949222085 /nfs/dbraw/zinc/22/20/85/949222085.db2.gz PNHCRVCWASUZOM-OLZOCXBDSA-N -1 1 382.472 1.568 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001574451319 949226086 /nfs/dbraw/zinc/22/60/86/949226086.db2.gz MESYQBWQDDSHRC-CYBMUJFWSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001574451319 949226106 /nfs/dbraw/zinc/22/61/06/949226106.db2.gz MESYQBWQDDSHRC-CYBMUJFWSA-N -1 1 383.416 1.389 20 0 GDADMM C[C@@H]1CCC[C@H](OCC(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001576151968 949235564 /nfs/dbraw/zinc/23/55/64/949235564.db2.gz HGRYZQMDUVSETK-OCCSQVGLSA-N -1 1 390.513 1.824 20 0 GDADMM C[C@@H](CNC(=O)Cc1cc(F)ccc1F)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574938425 949240328 /nfs/dbraw/zinc/24/03/28/949240328.db2.gz VSMLKJWJYMEISL-JTQLQIEISA-N -1 1 388.382 1.119 20 0 GDADMM CC1(c2ccccc2C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575856304 949244854 /nfs/dbraw/zinc/24/48/54/949244854.db2.gz DXNSHDJWMCMPKP-CYBMUJFWSA-N -1 1 390.451 1.457 20 0 GDADMM C[C@H](CNC(=O)Cc1c(F)cccc1Cl)Nc1nccnc1-c1nnn[n-]1 ZINC001574938489 949247904 /nfs/dbraw/zinc/24/79/04/949247904.db2.gz WXSYKIZNIJZPIA-SECBINFHSA-N -1 1 390.810 1.609 20 0 GDADMM C[C@H](CNC(=O)Cc1c(F)cccc1Cl)Nc1nccnc1-c1nn[n-]n1 ZINC001574938489 949247922 /nfs/dbraw/zinc/24/79/22/949247922.db2.gz WXSYKIZNIJZPIA-SECBINFHSA-N -1 1 390.810 1.609 20 0 GDADMM CC(C)n1cc(C(=O)N2C[C@@H](C)[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001574451937 949249427 /nfs/dbraw/zinc/24/94/27/949249427.db2.gz BEQVCFVLHRTOGJ-BXUZGUMPSA-N -1 1 382.432 1.007 20 0 GDADMM CC(C)n1cc(C(=O)N2C[C@@H](C)[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001574451937 949249447 /nfs/dbraw/zinc/24/94/47/949249447.db2.gz BEQVCFVLHRTOGJ-BXUZGUMPSA-N -1 1 382.432 1.007 20 0 GDADMM CC(C)n1cc(C(=O)N2CCC(Nc3ccc(-c4nnn[n-]4)nn3)CC2)cn1 ZINC001574452195 949254019 /nfs/dbraw/zinc/25/40/19/949254019.db2.gz FOUBLVVGTRKYMS-UHFFFAOYSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1cc(C(=O)N2CCC(Nc3ccc(-c4nn[n-]n4)nn3)CC2)cn1 ZINC001574452195 949254043 /nfs/dbraw/zinc/25/40/43/949254043.db2.gz FOUBLVVGTRKYMS-UHFFFAOYSA-N -1 1 382.432 1.151 20 0 GDADMM CC[C@]1(C(=O)[O-])CCCN(CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)C1 ZINC001589605605 949257841 /nfs/dbraw/zinc/25/78/41/949257841.db2.gz SDWCZGZHCYGQOK-SZSCYUJKSA-N -1 1 394.472 1.095 20 0 GDADMM CC(C)(C)C(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1ccnc(-c2nn[n-]n2)n1 ZINC001573792765 949265533 /nfs/dbraw/zinc/26/55/33/949265533.db2.gz VAADLSPIXOINHF-FQUUOJAGSA-N -1 1 382.472 1.376 20 0 GDADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)[C@@H]2Cc3ccccc32)CC1 ZINC001575857710 949268984 /nfs/dbraw/zinc/26/89/84/949268984.db2.gz UCXXDCDBWAANOE-OAHLLOKOSA-N -1 1 390.451 1.790 20 0 GDADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)[C@@H]2Cc3ccccc32)CC1 ZINC001575857710 949269005 /nfs/dbraw/zinc/26/90/05/949269005.db2.gz UCXXDCDBWAANOE-OAHLLOKOSA-N -1 1 390.451 1.790 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)n1 ZINC001575860241 949291611 /nfs/dbraw/zinc/29/16/11/949291611.db2.gz DVNJKLKRJMRHEY-QLJPJBMISA-N -1 1 390.473 1.211 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)n1 ZINC001575860241 949291629 /nfs/dbraw/zinc/29/16/29/949291629.db2.gz DVNJKLKRJMRHEY-QLJPJBMISA-N -1 1 390.473 1.211 20 0 GDADMM CC(C)(C)C(=O)C(=O)N1CCC[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573793344 949291736 /nfs/dbraw/zinc/29/17/36/949291736.db2.gz PLHNKJFMUUONBJ-GFCCVEGCSA-N -1 1 386.460 1.313 20 0 GDADMM CC(C)(C)C(=O)C(=O)N1CCC[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573793344 949291758 /nfs/dbraw/zinc/29/17/58/949291758.db2.gz PLHNKJFMUUONBJ-GFCCVEGCSA-N -1 1 386.460 1.313 20 0 GDADMM CC1=C(C)C[C@@H](C(=O)N2CCCN(c3cncc(-c4nnn[n-]4)n3)CC2)CC1 ZINC001575860948 949313975 /nfs/dbraw/zinc/31/39/75/949313975.db2.gz NZHGVVAMYHLPRD-HNNXBMFYSA-N -1 1 382.472 1.832 20 0 GDADMM CC1=C(C)C[C@@H](C(=O)N2CCCN(c3cncc(-c4nn[n-]n4)n3)CC2)CC1 ZINC001575860948 949313993 /nfs/dbraw/zinc/31/39/93/949313993.db2.gz NZHGVVAMYHLPRD-HNNXBMFYSA-N -1 1 382.472 1.832 20 0 GDADMM C[C@@H](NC(=O)C1CC(F)(F)C1)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575258919 949318131 /nfs/dbraw/zinc/31/81/31/949318131.db2.gz LZJWIDUDXMEBQT-GHMZBOCLSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@@H](NC(=O)C1CC(F)(F)C1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575258919 949318158 /nfs/dbraw/zinc/31/81/58/949318158.db2.gz LZJWIDUDXMEBQT-GHMZBOCLSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@H](NC(=O)C1CC2(CC2)C1)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575259437 949327934 /nfs/dbraw/zinc/32/79/34/949327934.db2.gz OGHVHAJWOYOOCR-STQMWFEESA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](NC(=O)C1CC2(CC2)C1)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575259437 949327953 /nfs/dbraw/zinc/32/79/53/949327953.db2.gz OGHVHAJWOYOOCR-STQMWFEESA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](CN(C)C(=O)C1(c2ccccc2)CCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574703722 949346559 /nfs/dbraw/zinc/34/65/59/949346559.db2.gz XFWBLDXJSZKISP-CQSZACIVSA-N -1 1 392.467 1.459 20 0 GDADMM C[C@H](CN(C)C(=O)C1(c2cccnc2)CC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574703909 949359157 /nfs/dbraw/zinc/35/91/57/949359157.db2.gz HJIIUGLGEPFFKW-GFCCVEGCSA-N -1 1 379.428 1.042 20 0 GDADMM C[C@H](CN(C)C(=O)C1(c2cccnc2)CC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574703909 949359178 /nfs/dbraw/zinc/35/91/78/949359178.db2.gz HJIIUGLGEPFFKW-GFCCVEGCSA-N -1 1 379.428 1.042 20 0 GDADMM C[C@@H]1CCC[C@@H](C(=O)NC2(C)CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001576155427 949400450 /nfs/dbraw/zinc/40/04/50/949400450.db2.gz UPYLTXFHVBMWKR-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCC[C@@H](C(=O)NC2(C)CCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001576155427 949400468 /nfs/dbraw/zinc/40/04/68/949400468.db2.gz UPYLTXFHVBMWKR-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCC[C@@H]1CC(=O)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576155593 949414459 /nfs/dbraw/zinc/41/44/59/949414459.db2.gz JJCVOSYCFSQUKE-UKRRQHHQSA-N -1 1 384.488 1.555 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574464550 949417688 /nfs/dbraw/zinc/41/76/88/949417688.db2.gz LNEJBIOBUMKVNO-ZDUSSCGKSA-N -1 1 381.444 1.438 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574464550 949417705 /nfs/dbraw/zinc/41/77/05/949417705.db2.gz LNEJBIOBUMKVNO-ZDUSSCGKSA-N -1 1 381.444 1.438 20 0 GDADMM C[C@@H](NC(=O)CC(F)(F)F)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575264204 949421252 /nfs/dbraw/zinc/42/12/52/949421252.db2.gz MWNSQLXNQYXDJS-ZJUUUORDSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](NC(=O)CC(F)(F)F)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575264204 949421263 /nfs/dbraw/zinc/42/12/63/949421263.db2.gz MWNSQLXNQYXDJS-ZJUUUORDSA-N -1 1 384.366 1.330 20 0 GDADMM CC1(C(=O)N2CCC([C@H]3CCCN3c3cnc(-c4nnn[n-]4)cn3)CC2)CC1 ZINC001575533609 949421396 /nfs/dbraw/zinc/42/13/96/949421396.db2.gz HRVQUOINKQLBIU-OAHLLOKOSA-N -1 1 382.472 1.664 20 0 GDADMM CC1(C(=O)N2CCC([C@H]3CCCN3c3cnc(-c4nn[n-]n4)cn3)CC2)CC1 ZINC001575533609 949421413 /nfs/dbraw/zinc/42/14/13/949421413.db2.gz HRVQUOINKQLBIU-OAHLLOKOSA-N -1 1 382.472 1.664 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2(C)CC(F)(F)C2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575866991 949429907 /nfs/dbraw/zinc/42/99/07/949429907.db2.gz ITSSUEJRHJOCNP-QWRGUYRKSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2(C)CC(F)(F)C2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575866991 949429918 /nfs/dbraw/zinc/42/99/18/949429918.db2.gz ITSSUEJRHJOCNP-QWRGUYRKSA-N -1 1 392.414 1.566 20 0 GDADMM CC(C)(C)C(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCC1(F)F ZINC001573802928 949432127 /nfs/dbraw/zinc/43/21/27/949432127.db2.gz MMESJPLEFCZJMQ-SNVBAGLBSA-N -1 1 380.403 1.281 20 0 GDADMM CC(C)(C)C(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCC1(F)F ZINC001573802928 949432136 /nfs/dbraw/zinc/43/21/36/949432136.db2.gz MMESJPLEFCZJMQ-SNVBAGLBSA-N -1 1 380.403 1.281 20 0 GDADMM CC(C)n1cnc(C(=O)NC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C2CC2)c1 ZINC001574465404 949433768 /nfs/dbraw/zinc/43/37/68/949433768.db2.gz XOLBGXZYKQJRST-GFCCVEGCSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cnc(C(=O)NC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C2CC2)c1 ZINC001574465404 949433773 /nfs/dbraw/zinc/43/37/73/949433773.db2.gz XOLBGXZYKQJRST-GFCCVEGCSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1nccc1C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001574468053 949452015 /nfs/dbraw/zinc/45/20/15/949452015.db2.gz GKBQTMFXETVQHR-GFCCVEGCSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1nccc1C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001574468053 949452030 /nfs/dbraw/zinc/45/20/30/949452030.db2.gz GKBQTMFXETVQHR-GFCCVEGCSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1nccc1C(=O)N(C)CCCN(C)c1nccnc1-c1nnn[n-]1 ZINC001574467991 949452803 /nfs/dbraw/zinc/45/28/03/949452803.db2.gz CGRGMEGIJPRLMZ-UHFFFAOYSA-N -1 1 384.448 1.033 20 0 GDADMM CC(C)n1nccc1C(=O)N(C)CCCN(C)c1nccnc1-c1nn[n-]n1 ZINC001574467991 949452813 /nfs/dbraw/zinc/45/28/13/949452813.db2.gz CGRGMEGIJPRLMZ-UHFFFAOYSA-N -1 1 384.448 1.033 20 0 GDADMM C[C@H]1CCC[C@@H]1CC(=O)N1CCC(N(C)c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001576156638 949456522 /nfs/dbraw/zinc/45/65/22/949456522.db2.gz NUCPQAHIESIZOC-UONOGXRCSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CCC[C@@H]1CC(=O)N1CCC(N(C)c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001576156638 949456541 /nfs/dbraw/zinc/45/65/41/949456541.db2.gz NUCPQAHIESIZOC-UONOGXRCSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)(C)C(=O)NC[C@@H]1COCCN1c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573804023 949463110 /nfs/dbraw/zinc/46/31/10/949463110.db2.gz ZYRVUZVOQIPTFH-MRVPVSSYSA-N -1 1 385.881 1.344 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2(C)CC(F)(F)C2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575868722 949463174 /nfs/dbraw/zinc/46/31/74/949463174.db2.gz OPHIOTAJSWWREK-GHMZBOCLSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@@H]1CCC[C@H](C(=O)N2C[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]3C2)C1 ZINC001576157233 949478292 /nfs/dbraw/zinc/47/82/92/949478292.db2.gz ZJMAIDQRZUMLND-BARDWOONSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H]1CCC[C@H](C(=O)N2C[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]3C2)C1 ZINC001576157233 949478303 /nfs/dbraw/zinc/47/83/03/949478303.db2.gz ZJMAIDQRZUMLND-BARDWOONSA-N -1 1 382.472 1.378 20 0 GDADMM CC(C)(C)C(=O)NCc1ccc(CCNc2nccnc2-c2nnn[n-]2)cc1 ZINC001573805917 949479823 /nfs/dbraw/zinc/47/98/23/949479823.db2.gz DAIYEDDMXVKBHL-UHFFFAOYSA-N -1 1 380.456 1.974 20 0 GDADMM CC(C)(C)C(=O)NCc1ccc(CCNc2nccnc2-c2nn[n-]n2)cc1 ZINC001573805917 949479836 /nfs/dbraw/zinc/47/98/36/949479836.db2.gz DAIYEDDMXVKBHL-UHFFFAOYSA-N -1 1 380.456 1.974 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cn[nH]c1 ZINC001576158439 949495391 /nfs/dbraw/zinc/49/53/91/949495391.db2.gz STNDYJOYUQFTBO-PIGZYNQJSA-N -1 1 382.432 1.171 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cn[nH]c1 ZINC001576158439 949495407 /nfs/dbraw/zinc/49/54/07/949495407.db2.gz STNDYJOYUQFTBO-PIGZYNQJSA-N -1 1 382.432 1.171 20 0 GDADMM CC1(C(=O)N2CCC3(C2)CCN(c2cncc(-c4nnn[n-]4)n2)CC3)CCC1 ZINC001575538335 949518060 /nfs/dbraw/zinc/51/80/60/949518060.db2.gz FKCUUHNDLNKVTO-UHFFFAOYSA-N -1 1 382.472 1.666 20 0 GDADMM CC1(C(=O)N2CCC3(C2)CCN(c2cncc(-c4nn[n-]n4)n2)CC3)CCC1 ZINC001575538335 949518069 /nfs/dbraw/zinc/51/80/69/949518069.db2.gz FKCUUHNDLNKVTO-UHFFFAOYSA-N -1 1 382.472 1.666 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1Cc2ccc(F)cc21)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574711139 949527535 /nfs/dbraw/zinc/52/75/35/949527535.db2.gz DNLKZWQVAAGGGC-HZMBPMFUSA-N -1 1 382.403 1.395 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1Cc2ccc(F)cc21)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574711139 949527549 /nfs/dbraw/zinc/52/75/49/949527549.db2.gz DNLKZWQVAAGGGC-HZMBPMFUSA-N -1 1 382.403 1.395 20 0 GDADMM C[C@@H]1CCCC[C@@H]1OCC(=O)N(C)CCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001576163644 949539674 /nfs/dbraw/zinc/53/96/74/949539674.db2.gz CNJYQALRWSJYIM-HIFRSBDPSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@@H]1CCCC[C@@H]1OCC(=O)N(C)CCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001576163644 949539697 /nfs/dbraw/zinc/53/96/97/949539697.db2.gz CNJYQALRWSJYIM-HIFRSBDPSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@@H]1CCCC[C@H]1OCC(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001576163984 949545689 /nfs/dbraw/zinc/54/56/89/949545689.db2.gz DVAWIDGAZGVMGN-YIYPIFLZSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H]1CCCC[C@H]1OCC(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001576163984 949545707 /nfs/dbraw/zinc/54/57/07/949545707.db2.gz DVAWIDGAZGVMGN-YIYPIFLZSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2CC(F)(F)C2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576164881 949557928 /nfs/dbraw/zinc/55/79/28/949557928.db2.gz IBNQPIQARMQXCA-ZWNOBZJWSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2CC(F)(F)C2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576164881 949557943 /nfs/dbraw/zinc/55/79/43/949557943.db2.gz IBNQPIQARMQXCA-ZWNOBZJWSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CCC(C)(F)F)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575873164 949570124 /nfs/dbraw/zinc/57/01/24/949570124.db2.gz NYHHFZXWMUXKHZ-QWRGUYRKSA-N -1 1 380.403 1.566 20 0 GDADMM CC(C)C[C@H](C(=O)N(C)CCNc1nccnc1-c1nnn[n-]1)n1ccnc1 ZINC001574124455 949574599 /nfs/dbraw/zinc/57/45/99/949574599.db2.gz IJZIUUYLOHXENF-CYBMUJFWSA-N -1 1 384.448 1.011 20 0 GDADMM CC(C)C[C@H](C(=O)N(C)CCNc1nccnc1-c1nn[n-]n1)n1ccnc1 ZINC001574124455 949574615 /nfs/dbraw/zinc/57/46/15/949574615.db2.gz IJZIUUYLOHXENF-CYBMUJFWSA-N -1 1 384.448 1.011 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2CC3(CCC3)C2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575873363 949578343 /nfs/dbraw/zinc/57/83/43/949578343.db2.gz OLFYVUHQRZJTRG-TZMCWYRMSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2C=CC=CC=C2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576167539 949607376 /nfs/dbraw/zinc/60/73/76/949607376.db2.gz QDSUVLCXGKVRRP-ZBFHGGJFSA-N -1 1 392.467 1.416 20 0 GDADMM C[C@H](NC(=O)CCCc1ccccn1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575271568 949619245 /nfs/dbraw/zinc/61/92/45/949619245.db2.gz KTCYEAOMUMBAFQ-STQMWFEESA-N -1 1 381.444 1.380 20 0 GDADMM C[C@H](NC(=O)CCCc1ccccn1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575271568 949619253 /nfs/dbraw/zinc/61/92/53/949619253.db2.gz KTCYEAOMUMBAFQ-STQMWFEESA-N -1 1 381.444 1.380 20 0 GDADMM C[C@@H](CC(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1)c1ccc(F)cc1 ZINC001574477136 949638844 /nfs/dbraw/zinc/63/88/44/949638844.db2.gz KELSTCKVNNTDIF-LBPRGKRZSA-N -1 1 384.419 1.860 20 0 GDADMM C[C@@H](CC(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC001574477136 949638858 /nfs/dbraw/zinc/63/88/58/949638858.db2.gz KELSTCKVNNTDIF-LBPRGKRZSA-N -1 1 384.419 1.860 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H](C)NC(=O)CCCc1cccnc1 ZINC001575272387 949640310 /nfs/dbraw/zinc/64/03/10/949640310.db2.gz PWRIDOTZVHMBDS-QWHCGFSZSA-N -1 1 381.444 1.380 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H](C)NC(=O)CCCc1cccnc1 ZINC001575272387 949640316 /nfs/dbraw/zinc/64/03/16/949640316.db2.gz PWRIDOTZVHMBDS-QWHCGFSZSA-N -1 1 381.444 1.380 20 0 GDADMM C[C@H](CC(=O)N(CCO)CCNc1cnc(-c2nnn[n-]2)cn1)CC(C)(C)C ZINC001574477177 949643900 /nfs/dbraw/zinc/64/39/00/949643900.db2.gz LCBQDUPMLSNUTQ-CYBMUJFWSA-N -1 1 390.492 1.352 20 0 GDADMM C[C@H](CC(=O)N(CCO)CCNc1cnc(-c2nn[n-]n2)cn1)CC(C)(C)C ZINC001574477177 949643914 /nfs/dbraw/zinc/64/39/14/949643914.db2.gz LCBQDUPMLSNUTQ-CYBMUJFWSA-N -1 1 390.492 1.352 20 0 GDADMM C[C@@H](CN(C)C(=O)CCCC1CCOCC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574715425 949650064 /nfs/dbraw/zinc/65/00/64/949650064.db2.gz CLBHETMSUPOXIT-ZDUSSCGKSA-N -1 1 388.476 1.512 20 0 GDADMM C[C@@H](CN(C)C(=O)CCCC1CCOCC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574715425 949650076 /nfs/dbraw/zinc/65/00/76/949650076.db2.gz CLBHETMSUPOXIT-ZDUSSCGKSA-N -1 1 388.476 1.512 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@@H]1CCC(F)(F)C1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574715646 949659285 /nfs/dbraw/zinc/65/92/85/949659285.db2.gz JVUMVALNIBOKHC-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@@H]1CCC(F)(F)C1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574715646 949659297 /nfs/dbraw/zinc/65/92/97/949659297.db2.gz JVUMVALNIBOKHC-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H]1[C@H](NC(=O)CCc2ccoc2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575879846 949693855 /nfs/dbraw/zinc/69/38/55/949693855.db2.gz RXTCOCNWVMVYIQ-GXTWGEPZSA-N -1 1 382.428 1.356 20 0 GDADMM C[C@H]1[C@H](NC(=O)CCc2ccoc2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575879846 949693868 /nfs/dbraw/zinc/69/38/68/949693868.db2.gz RXTCOCNWVMVYIQ-GXTWGEPZSA-N -1 1 382.428 1.356 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574958800 949695443 /nfs/dbraw/zinc/69/54/43/949695443.db2.gz NNYFMADLAHWMJZ-AEGPPILISA-N -1 1 378.440 1.625 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574958800 949695457 /nfs/dbraw/zinc/69/54/57/949695457.db2.gz NNYFMADLAHWMJZ-AEGPPILISA-N -1 1 378.440 1.625 20 0 GDADMM C[C@H]1CCCN(C(=O)Cc2ccoc2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576169949 949699749 /nfs/dbraw/zinc/69/97/49/949699749.db2.gz IIHDAHWWOIZJHX-SWLSCSKDSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@H]1CCCN(C(=O)Cc2ccoc2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576169949 949699766 /nfs/dbraw/zinc/69/97/66/949699766.db2.gz IIHDAHWWOIZJHX-SWLSCSKDSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@@H](CNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574959099 949704322 /nfs/dbraw/zinc/70/43/22/949704322.db2.gz YXZMXDUUCMKXPB-CFZJUORYSA-N -1 1 378.440 1.767 20 0 GDADMM C[C@@H](CNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574959099 949704336 /nfs/dbraw/zinc/70/43/36/949704336.db2.gz YXZMXDUUCMKXPB-CFZJUORYSA-N -1 1 378.440 1.767 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574959405 949713080 /nfs/dbraw/zinc/71/30/80/949713080.db2.gz RJYMHLPACKCXIL-FPMFFAJLSA-N -1 1 379.428 1.020 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574959405 949713093 /nfs/dbraw/zinc/71/30/93/949713093.db2.gz RJYMHLPACKCXIL-FPMFFAJLSA-N -1 1 379.428 1.020 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)Cc1ccccc1 ZINC001573818124 949718358 /nfs/dbraw/zinc/71/83/58/949718358.db2.gz GSJAJRXULLFMOQ-CQSZACIVSA-N -1 1 380.456 1.264 20 0 GDADMM C[C@H]1CCCN(C(=O)COCC2CC2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576170731 949734257 /nfs/dbraw/zinc/73/42/57/949734257.db2.gz NRGFLZRUPBZPRG-WFASDCNBSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H]1CCCN(C(=O)COCC2CC2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576170731 949734270 /nfs/dbraw/zinc/73/42/70/949734270.db2.gz NRGFLZRUPBZPRG-WFASDCNBSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H]1CCCN(C(=O)CCCC2CC2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576171013 949749533 /nfs/dbraw/zinc/74/95/33/949749533.db2.gz OPPPYUHDNLKFQO-HIFRSBDPSA-N -1 1 384.488 1.698 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[C@H]1CCCCO1 ZINC001573819286 949750438 /nfs/dbraw/zinc/75/04/38/949750438.db2.gz SIUIWXBYXFMOIV-TZMCWYRMSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[C@H]1CCCCO1 ZINC001573819286 949750460 /nfs/dbraw/zinc/75/04/60/949750460.db2.gz SIUIWXBYXFMOIV-TZMCWYRMSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cc1ccsc1 ZINC001573819294 949751181 /nfs/dbraw/zinc/75/11/81/949751181.db2.gz SMWMJFIKEYPKFE-ZDUSSCGKSA-N -1 1 386.485 1.904 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cc1ccsc1 ZINC001573819294 949751199 /nfs/dbraw/zinc/75/11/99/949751199.db2.gz SMWMJFIKEYPKFE-ZDUSSCGKSA-N -1 1 386.485 1.904 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001574480482 949751978 /nfs/dbraw/zinc/75/19/78/949751978.db2.gz IUZCMXIAFKXGCI-CFVMTHIKSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001574480482 949751995 /nfs/dbraw/zinc/75/19/95/949751995.db2.gz IUZCMXIAFKXGCI-CFVMTHIKSA-N -1 1 382.472 1.663 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CC[C@H]1CCCO1 ZINC001573819822 949760714 /nfs/dbraw/zinc/76/07/14/949760714.db2.gz VUSJFRCHLARKEA-TZMCWYRMSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CC[C@H]1CCCO1 ZINC001573819822 949760721 /nfs/dbraw/zinc/76/07/21/949760721.db2.gz VUSJFRCHLARKEA-TZMCWYRMSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CCc1ccon1 ZINC001573820312 949764354 /nfs/dbraw/zinc/76/43/54/949764354.db2.gz XJGPENOLWREFMF-ZDUSSCGKSA-N -1 1 385.432 1.220 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CCc1ccon1 ZINC001573820312 949764384 /nfs/dbraw/zinc/76/43/84/949764384.db2.gz XJGPENOLWREFMF-ZDUSSCGKSA-N -1 1 385.432 1.220 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N1CCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001574137868 949771407 /nfs/dbraw/zinc/77/14/07/949771407.db2.gz YMAWZRJUWPUSTE-KGLIPLIRSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N1CCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001574137868 949771427 /nfs/dbraw/zinc/77/14/27/949771427.db2.gz YMAWZRJUWPUSTE-KGLIPLIRSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CC[C@@H]1CCOC1 ZINC001573821840 949776540 /nfs/dbraw/zinc/77/65/40/949776540.db2.gz DRRCFNSXAFATRY-CHWSQXEVSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CC[C@@H]1CCOC1 ZINC001573821840 949776554 /nfs/dbraw/zinc/77/65/54/949776554.db2.gz DRRCFNSXAFATRY-CHWSQXEVSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001574481565 949786687 /nfs/dbraw/zinc/78/66/87/949786687.db2.gz RNYAUOGBTINHDU-KGLIPLIRSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001574481565 949786710 /nfs/dbraw/zinc/78/67/10/949786710.db2.gz RNYAUOGBTINHDU-KGLIPLIRSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@H]1CCCN(C(=O)CCCF)[C@@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576172102 949790484 /nfs/dbraw/zinc/79/04/84/949790484.db2.gz UYFIELCQPZNWJW-QWHCGFSZSA-N -1 1 376.440 1.257 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2cc(Cl)no2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575882904 949796231 /nfs/dbraw/zinc/79/62/31/949796231.db2.gz BOPJTDUZTISMGM-IUCAKERBSA-N -1 1 389.807 1.085 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2cc(Cl)no2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575882904 949796250 /nfs/dbraw/zinc/79/62/50/949796250.db2.gz BOPJTDUZTISMGM-IUCAKERBSA-N -1 1 389.807 1.085 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccncc1 ZINC001574481747 949797101 /nfs/dbraw/zinc/79/71/01/949797101.db2.gz URDMRZGYCSOZDF-TZMCWYRMSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccncc1 ZINC001574481747 949797117 /nfs/dbraw/zinc/79/71/17/949797117.db2.gz URDMRZGYCSOZDF-TZMCWYRMSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001574481796 949802088 /nfs/dbraw/zinc/80/20/88/949802088.db2.gz VPTHPHIDQWUODC-QWHCGFSZSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001574481796 949802108 /nfs/dbraw/zinc/80/21/08/949802108.db2.gz VPTHPHIDQWUODC-QWHCGFSZSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574965789 949819071 /nfs/dbraw/zinc/81/90/71/949819071.db2.gz LXHBPYACUQVMTI-YUELXQCFSA-N -1 1 378.440 1.625 20 0 GDADMM C[C@@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574965789 949819091 /nfs/dbraw/zinc/81/90/91/949819091.db2.gz LXHBPYACUQVMTI-YUELXQCFSA-N -1 1 378.440 1.625 20 0 GDADMM CC1(C(=O)N[C@@H]2CCC[C@H]2CNc2nccnc2-c2nnn[n-]2)CC(F)(F)C1 ZINC001575562792 949832024 /nfs/dbraw/zinc/83/20/24/949832024.db2.gz IRDCYZBSUAGHBW-WDEREUQCSA-N -1 1 392.414 1.789 20 0 GDADMM CC1(C(=O)N[C@@H]2CCC[C@H]2CNc2nccnc2-c2nn[n-]n2)CC(F)(F)C1 ZINC001575562792 949832051 /nfs/dbraw/zinc/83/20/51/949832051.db2.gz IRDCYZBSUAGHBW-WDEREUQCSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@H](CC(=O)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1)n1cccc1 ZINC001574484160 949862826 /nfs/dbraw/zinc/86/28/26/949862826.db2.gz DCZCLJMFVGPGLP-CQSZACIVSA-N -1 1 381.444 1.148 20 0 GDADMM C[C@H](CC(=O)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1)n1cccc1 ZINC001574484160 949862845 /nfs/dbraw/zinc/86/28/45/949862845.db2.gz DCZCLJMFVGPGLP-CQSZACIVSA-N -1 1 381.444 1.148 20 0 GDADMM C[C@@H](CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1)C1CCCCC1 ZINC001574484131 949867704 /nfs/dbraw/zinc/86/77/04/949867704.db2.gz WGJIPZMHFONRKP-AWEZNQCLSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@@H](CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1)C1CCCCC1 ZINC001574484131 949867726 /nfs/dbraw/zinc/86/77/26/949867726.db2.gz WGJIPZMHFONRKP-AWEZNQCLSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574484647 949893862 /nfs/dbraw/zinc/89/38/62/949893862.db2.gz LFHOKGUOOAPSEY-VHSXEESVSA-N -1 1 384.366 1.070 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2nccs2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576178794 949895549 /nfs/dbraw/zinc/89/55/49/949895549.db2.gz IVWVRBFKMIXVCD-MNOVXSKESA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2nccs2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576178794 949895573 /nfs/dbraw/zinc/89/55/73/949895573.db2.gz IVWVRBFKMIXVCD-MNOVXSKESA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H]1CCN(C(=O)C(C)(C)C2CC2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576179880 949930419 /nfs/dbraw/zinc/93/04/19/949930419.db2.gz MNPFEFUMYQFTFW-CHWSQXEVSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H]1CCN(C(=O)C(C)(C)C2CC2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576179880 949930440 /nfs/dbraw/zinc/93/04/40/949930440.db2.gz MNPFEFUMYQFTFW-CHWSQXEVSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001574485713 949931036 /nfs/dbraw/zinc/93/10/36/949931036.db2.gz ZOIFXLYSXBKSOU-NXEZZACHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001574485713 949931044 /nfs/dbraw/zinc/93/10/44/949931044.db2.gz ZOIFXLYSXBKSOU-NXEZZACHSA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)(C)[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC001573829129 949946584 /nfs/dbraw/zinc/94/65/84/949946584.db2.gz WKHPLQFGONDMQU-ZDUSSCGKSA-N -1 1 383.449 1.832 20 0 GDADMM CC(C)(C)[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC001573829129 949946605 /nfs/dbraw/zinc/94/66/05/949946605.db2.gz WKHPLQFGONDMQU-ZDUSSCGKSA-N -1 1 383.449 1.832 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001574488975 949960357 /nfs/dbraw/zinc/96/03/57/949960357.db2.gz HYODPUXBOZTCFD-UTLUCORTSA-N -1 1 382.350 1.035 20 0 GDADMM C[C@H]1CCN(C(=O)C2CC3(CC3)C2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576180586 949965715 /nfs/dbraw/zinc/96/57/15/949965715.db2.gz FKJFZHHBKXAPNW-GXTWGEPZSA-N -1 1 382.472 1.165 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ccccc1Cl)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574728470 949988614 /nfs/dbraw/zinc/98/86/14/949988614.db2.gz AZUDWGQRNJYKNJ-NSHDSACASA-N -1 1 386.847 1.812 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ccccc1Cl)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574728470 949988630 /nfs/dbraw/zinc/98/86/30/949988630.db2.gz AZUDWGQRNJYKNJ-NSHDSACASA-N -1 1 386.847 1.812 20 0 GDADMM C[C@H]1CCN(C(=O)C2(CF)CCC2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576181490 950006123 /nfs/dbraw/zinc/00/61/23/950006123.db2.gz INHFEQUJTLVCMT-STQMWFEESA-N -1 1 388.451 1.693 20 0 GDADMM C[C@H]1CCN(C(=O)C2(CF)CCC2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576181490 950006147 /nfs/dbraw/zinc/00/61/47/950006147.db2.gz INHFEQUJTLVCMT-STQMWFEESA-N -1 1 388.451 1.693 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccc[nH]2)[C@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576181621 950011595 /nfs/dbraw/zinc/01/15/95/950011595.db2.gz MEKRPYYXRODJPO-WFASDCNBSA-N -1 1 381.444 1.728 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccc[nH]2)[C@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576181621 950011619 /nfs/dbraw/zinc/01/16/19/950011619.db2.gz MEKRPYYXRODJPO-WFASDCNBSA-N -1 1 381.444 1.728 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2ccc(F)cc2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575891597 950016660 /nfs/dbraw/zinc/01/66/60/950016660.db2.gz LSAGFBRXWJRWRO-SMDDNHRTSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2ccc(F)cc2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575891597 950016679 /nfs/dbraw/zinc/01/66/79/950016679.db2.gz LSAGFBRXWJRWRO-SMDDNHRTSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@H](CC(=O)N1C[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1)C1CC1 ZINC001574490828 950023893 /nfs/dbraw/zinc/02/38/93/950023893.db2.gz ZUWGEFXAKQDIRB-YUELXQCFSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H](CC(=O)N1C[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1)C1CC1 ZINC001574490828 950023915 /nfs/dbraw/zinc/02/39/15/950023915.db2.gz ZUWGEFXAKQDIRB-YUELXQCFSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H]1CCN(C(=O)CCCC2CC2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576182038 950033242 /nfs/dbraw/zinc/03/32/42/950033242.db2.gz KQCIYSWXUSWTFF-UKRRQHHQSA-N -1 1 384.488 1.555 20 0 GDADMM C[C@@H](CC(=O)NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574491579 950038377 /nfs/dbraw/zinc/03/83/77/950038377.db2.gz DSKZLWDWDOMLEO-HLIUYOAVSA-N -1 1 392.467 1.579 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001574491797 950044880 /nfs/dbraw/zinc/04/48/80/950044880.db2.gz GDMYMXIGPCVAAX-VHSXEESVSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574491797 950044899 /nfs/dbraw/zinc/04/48/99/950044899.db2.gz GDMYMXIGPCVAAX-VHSXEESVSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cocn2)[C@@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576182668 950059576 /nfs/dbraw/zinc/05/95/76/950059576.db2.gz OVECHYJHYWGFDY-BXUZGUMPSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cocn2)[C@@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576182668 950059597 /nfs/dbraw/zinc/05/95/97/950059597.db2.gz OVECHYJHYWGFDY-BXUZGUMPSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2cccc(F)c2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575892260 950062212 /nfs/dbraw/zinc/06/22/12/950062212.db2.gz UZZGLVDKIWLWKE-BXUZGUMPSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2cccc(F)c2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575892260 950062233 /nfs/dbraw/zinc/06/22/33/950062233.db2.gz UZZGLVDKIWLWKE-BXUZGUMPSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ccc(Cl)s1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574731987 950064077 /nfs/dbraw/zinc/06/40/77/950064077.db2.gz ZKUAIPNBNRZCEA-VIFPVBQESA-N -1 1 392.876 1.873 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ccc(Cl)s1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574731987 950064098 /nfs/dbraw/zinc/06/40/98/950064098.db2.gz ZKUAIPNBNRZCEA-VIFPVBQESA-N -1 1 392.876 1.873 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ccc[nH]1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574732008 950064885 /nfs/dbraw/zinc/06/48/85/950064885.db2.gz ZWTBVIVRQMSCHG-QMMMGPOBSA-N -1 1 380.865 1.806 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccccn2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576183028 950073434 /nfs/dbraw/zinc/07/34/34/950073434.db2.gz QJQOOAQGCNYGIS-SWLSCSKDSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccccn2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576183028 950073452 /nfs/dbraw/zinc/07/34/52/950073452.db2.gz QJQOOAQGCNYGIS-SWLSCSKDSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccsn2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576183054 950074347 /nfs/dbraw/zinc/07/43/47/950074347.db2.gz QNUBFDLXCDGHIW-GWCFXTLKSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccsn2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576183054 950074374 /nfs/dbraw/zinc/07/43/74/950074374.db2.gz QNUBFDLXCDGHIW-GWCFXTLKSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001574492641 950100085 /nfs/dbraw/zinc/10/00/85/950100085.db2.gz NYSVIURVWBDKRJ-KBPBESRZSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001574492641 950100102 /nfs/dbraw/zinc/10/01/02/950100102.db2.gz NYSVIURVWBDKRJ-KBPBESRZSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@]1(C)c1ccccc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574733405 950111414 /nfs/dbraw/zinc/11/14/14/950111414.db2.gz AEXXOJYXYLHAOV-IAMHBRQHSA-N -1 1 392.467 1.893 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@]1(C)c1ccccc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574733405 950111423 /nfs/dbraw/zinc/11/14/23/950111423.db2.gz AEXXOJYXYLHAOV-IAMHBRQHSA-N -1 1 392.467 1.893 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2ccoc2Cl)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575895297 950113168 /nfs/dbraw/zinc/11/31/68/950113168.db2.gz IEOFFJKXGWWAJH-MWLCHTKSSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2ccoc2Cl)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575895297 950113179 /nfs/dbraw/zinc/11/31/79/950113179.db2.gz IEOFFJKXGWWAJH-MWLCHTKSSA-N -1 1 388.819 1.690 20 0 GDADMM CC(C)(C)CC(=O)NC[C@]12CCC[C@H]1N(c1nccnc1-c1nnn[n-]1)CC2 ZINC001573838713 950117635 /nfs/dbraw/zinc/11/76/35/950117635.db2.gz HJGRUQHTZPXLLE-BFUOFWGJSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C)CC(=O)NC[C@]12CCC[C@H]1N(c1nccnc1-c1nn[n-]n1)CC2 ZINC001573838713 950117642 /nfs/dbraw/zinc/11/76/42/950117642.db2.gz HJGRUQHTZPXLLE-BFUOFWGJSA-N -1 1 384.488 1.958 20 0 GDADMM CCCc1nc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])co1 ZINC001589691627 950120005 /nfs/dbraw/zinc/12/00/05/950120005.db2.gz RQKQCIYROIVIHW-GZMMTYOYSA-N -1 1 377.319 1.363 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccncc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574734860 950145340 /nfs/dbraw/zinc/14/53/40/950145340.db2.gz SYOASWRWNNJUKV-KWCYVHTRSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccncc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574734860 950145351 /nfs/dbraw/zinc/14/53/51/950145351.db2.gz SYOASWRWNNJUKV-KWCYVHTRSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1)c1ccco1 ZINC001574493938 950147693 /nfs/dbraw/zinc/14/76/93/950147693.db2.gz IYDJVPUKEANGDQ-WCQYABFASA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1)c1ccco1 ZINC001574493938 950147707 /nfs/dbraw/zinc/14/77/07/950147707.db2.gz IYDJVPUKEANGDQ-WCQYABFASA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cccnc2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576190351 950159136 /nfs/dbraw/zinc/15/91/36/950159136.db2.gz AJWXNVROXBYEGB-TZMCWYRMSA-N -1 1 379.428 1.262 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cccnc2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576190351 950159144 /nfs/dbraw/zinc/15/91/44/950159144.db2.gz AJWXNVROXBYEGB-TZMCWYRMSA-N -1 1 379.428 1.262 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cc(F)c[nH]2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576190681 950167594 /nfs/dbraw/zinc/16/75/94/950167594.db2.gz DAIYMDCQQYKVEI-GHMZBOCLSA-N -1 1 385.407 1.334 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cc(F)c[nH]2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576190681 950167609 /nfs/dbraw/zinc/16/76/09/950167609.db2.gz DAIYMDCQQYKVEI-GHMZBOCLSA-N -1 1 385.407 1.334 20 0 GDADMM C[C@@]1(C(=O)NC[C@H]2CCCCN2c2nccnc2-c2nnn[n-]2)CC=CCC1 ZINC001575584771 950178821 /nfs/dbraw/zinc/17/88/21/950178821.db2.gz SDKBCJKAARJGLA-AUUYWEPGSA-N -1 1 382.472 1.878 20 0 GDADMM C[C@@]1(C(=O)NC[C@H]2CCCCN2c2nccnc2-c2nn[n-]n2)CC=CCC1 ZINC001575584771 950178835 /nfs/dbraw/zinc/17/88/35/950178835.db2.gz SDKBCJKAARJGLA-AUUYWEPGSA-N -1 1 382.472 1.878 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccccc2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576191012 950178996 /nfs/dbraw/zinc/17/89/96/950178996.db2.gz FVISFTJUZUAELH-ZFWWWQNUSA-N -1 1 378.440 1.289 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccncc2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576191024 950180370 /nfs/dbraw/zinc/18/03/70/950180370.db2.gz CNLVSZWNSVHICC-GXTWGEPZSA-N -1 1 379.428 1.262 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccncc2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576191024 950180377 /nfs/dbraw/zinc/18/03/77/950180377.db2.gz CNLVSZWNSVHICC-GXTWGEPZSA-N -1 1 379.428 1.262 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NCC1=CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573844554 950196563 /nfs/dbraw/zinc/19/65/63/950196563.db2.gz BGYDCDHJRYPXCY-LSDHHAIUSA-N -1 1 396.499 1.982 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NCC1=CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573844554 950196579 /nfs/dbraw/zinc/19/65/79/950196579.db2.gz BGYDCDHJRYPXCY-LSDHHAIUSA-N -1 1 396.499 1.982 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573844530 950197477 /nfs/dbraw/zinc/19/74/77/950197477.db2.gz BAAQBXJVTGAGCT-HZSPNIEDSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573844530 950197489 /nfs/dbraw/zinc/19/74/89/950197489.db2.gz BAAQBXJVTGAGCT-HZSPNIEDSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H]1Cc2ccccc21 ZINC001574155545 950198700 /nfs/dbraw/zinc/19/87/00/950198700.db2.gz NIGAPRPMJHTGGO-ZBFHGGJFSA-N -1 1 392.467 1.939 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H]1Cc2ccccc21 ZINC001574155545 950198714 /nfs/dbraw/zinc/19/87/14/950198714.db2.gz NIGAPRPMJHTGGO-ZBFHGGJFSA-N -1 1 392.467 1.939 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cccn2C)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576192018 950218329 /nfs/dbraw/zinc/21/83/29/950218329.db2.gz LBKRIBLAJDISLX-CHWSQXEVSA-N -1 1 381.444 1.206 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cccn2C)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576192018 950218350 /nfs/dbraw/zinc/21/83/50/950218350.db2.gz LBKRIBLAJDISLX-CHWSQXEVSA-N -1 1 381.444 1.206 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1C[C@@H]1c1ccccc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574739978 950220393 /nfs/dbraw/zinc/22/03/93/950220393.db2.gz AOJWGBCZUUSLDZ-CFVMTHIKSA-N -1 1 378.440 1.719 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1C[C@@H]1c1ccccc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574739978 950220411 /nfs/dbraw/zinc/22/04/11/950220411.db2.gz AOJWGBCZUUSLDZ-CFVMTHIKSA-N -1 1 378.440 1.719 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cccs2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576192091 950222823 /nfs/dbraw/zinc/22/28/23/950222823.db2.gz LPIUPPRBRUWILT-VXGBXAGGSA-N -1 1 384.469 1.929 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cccs2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576192091 950222845 /nfs/dbraw/zinc/22/28/45/950222845.db2.gz LPIUPPRBRUWILT-VXGBXAGGSA-N -1 1 384.469 1.929 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1)CC(C)(C)C ZINC001574497913 950251422 /nfs/dbraw/zinc/25/14/22/950251422.db2.gz GGSPISOSWHPOQP-RYUDHWBXSA-N -1 1 376.465 1.008 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1)CC(C)(C)C ZINC001574497913 950251439 /nfs/dbraw/zinc/25/14/39/950251439.db2.gz GGSPISOSWHPOQP-RYUDHWBXSA-N -1 1 376.465 1.008 20 0 GDADMM C[C@H](CN(C)C(=O)c1c[nH]nc1C(C)(C)C)Nc1nccnc1-c1nnn[n-]1 ZINC001574742347 950281298 /nfs/dbraw/zinc/28/12/98/950281298.db2.gz KBLOZWSZOFJJKP-SNVBAGLBSA-N -1 1 384.448 1.250 20 0 GDADMM C[C@H](CN(C)C(=O)c1c[nH]nc1C(C)(C)C)Nc1nccnc1-c1nn[n-]n1 ZINC001574742347 950281311 /nfs/dbraw/zinc/28/13/11/950281311.db2.gz KBLOZWSZOFJJKP-SNVBAGLBSA-N -1 1 384.448 1.250 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[C@@H]1CCCOC1 ZINC001574159375 950308113 /nfs/dbraw/zinc/30/81/13/950308113.db2.gz GLFJLRLYWJSVJG-UONOGXRCSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[C@@H]1CCCOC1 ZINC001574159375 950308132 /nfs/dbraw/zinc/30/81/32/950308132.db2.gz GLFJLRLYWJSVJG-UONOGXRCSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)OC(=O)N1CCCO[C@H](CNC(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001573853148 950315272 /nfs/dbraw/zinc/31/52/72/950315272.db2.gz MDOKBXKDJNQKTJ-GFCCVEGCSA-N -1 1 392.416 1.216 20 0 GDADMM CC(C)(C)OC(=O)N1CCCO[C@H](CNC(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001573853148 950315294 /nfs/dbraw/zinc/31/52/94/950315294.db2.gz MDOKBXKDJNQKTJ-GFCCVEGCSA-N -1 1 392.416 1.216 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)COC(C)(C)C ZINC001574159756 950316055 /nfs/dbraw/zinc/31/60/55/950316055.db2.gz IIEJYUOIMUYVNA-LBPRGKRZSA-N -1 1 376.465 1.415 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)COC(C)(C)C ZINC001574159756 950316074 /nfs/dbraw/zinc/31/60/74/950316074.db2.gz IIEJYUOIMUYVNA-LBPRGKRZSA-N -1 1 376.465 1.415 20 0 GDADMM CC1(C(=O)NC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)CCC2(F)F)CC1 ZINC001575593527 950316205 /nfs/dbraw/zinc/31/62/05/950316205.db2.gz HGJBBOZEIKQIDD-JTQLQIEISA-N -1 1 378.387 1.035 20 0 GDADMM CC1(C(=O)NC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)CCC2(F)F)CC1 ZINC001575593527 950316226 /nfs/dbraw/zinc/31/62/26/950316226.db2.gz HGJBBOZEIKQIDD-JTQLQIEISA-N -1 1 378.387 1.035 20 0 GDADMM C[C@H]1CCN(C(=O)c2cscn2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576193948 950321719 /nfs/dbraw/zinc/32/17/19/950321719.db2.gz WSLALRSSCNICJQ-WDEREUQCSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H]1CCN(C(=O)c2cscn2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576193948 950321740 /nfs/dbraw/zinc/32/17/40/950321740.db2.gz WSLALRSSCNICJQ-WDEREUQCSA-N -1 1 385.457 1.324 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)C1 ZINC001573853549 950328184 /nfs/dbraw/zinc/32/81/84/950328184.db2.gz RMFBQOBULGHLPP-MRXNPFEDSA-N -1 1 376.421 1.566 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)C1 ZINC001573853549 950328203 /nfs/dbraw/zinc/32/82/03/950328203.db2.gz RMFBQOBULGHLPP-MRXNPFEDSA-N -1 1 376.421 1.566 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@@]2(C1)CN(c1cccc(-c3nnn[n-]3)n1)CCO2 ZINC001573854271 950340128 /nfs/dbraw/zinc/34/01/28/950340128.db2.gz YLBOGIDVMVHRMI-SFHVURJKSA-N -1 1 387.444 1.478 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@@]2(C1)CN(c1cccc(-c3nn[n-]n3)n1)CCO2 ZINC001573854271 950340145 /nfs/dbraw/zinc/34/01/45/950340145.db2.gz YLBOGIDVMVHRMI-SFHVURJKSA-N -1 1 387.444 1.478 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1)c1ccco1 ZINC001574501690 950340120 /nfs/dbraw/zinc/34/01/20/950340120.db2.gz GGZOVDMGFFYHBX-STQMWFEESA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1)c1ccco1 ZINC001574501690 950340142 /nfs/dbraw/zinc/34/01/42/950340142.db2.gz GGZOVDMGFFYHBX-STQMWFEESA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccn(C)c2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576194473 950341413 /nfs/dbraw/zinc/34/14/13/950341413.db2.gz ZEKFLFBUHWIVBT-JSGCOSHPSA-N -1 1 381.444 1.206 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccn(C)c2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576194473 950341433 /nfs/dbraw/zinc/34/14/33/950341433.db2.gz ZEKFLFBUHWIVBT-JSGCOSHPSA-N -1 1 381.444 1.206 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001574501955 950352590 /nfs/dbraw/zinc/35/25/90/950352590.db2.gz HYSIWOIJNMICDR-KGLIPLIRSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001574501955 950352610 /nfs/dbraw/zinc/35/26/10/950352610.db2.gz HYSIWOIJNMICDR-KGLIPLIRSA-N -1 1 381.444 1.052 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cc(Cl)no1 ZINC001574161764 950362012 /nfs/dbraw/zinc/36/20/12/950362012.db2.gz WUSAZFJRVVKPTI-SECBINFHSA-N -1 1 391.823 1.555 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cc(Cl)no1 ZINC001574161764 950362035 /nfs/dbraw/zinc/36/20/35/950362035.db2.gz WUSAZFJRVVKPTI-SECBINFHSA-N -1 1 391.823 1.555 20 0 GDADMM CC1(C(=O)NC[C@@H]2Cc3ccccc3CN2c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575596885 950386937 /nfs/dbraw/zinc/38/69/37/950386937.db2.gz VWUNYMONQKEZPI-HNNXBMFYSA-N -1 1 390.451 1.504 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C1(F)CCOCC1 ZINC001574162586 950392061 /nfs/dbraw/zinc/39/20/61/950392061.db2.gz DRFAOAZRBRGGBG-GFCCVEGCSA-N -1 1 392.439 1.118 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C1(F)CCOCC1 ZINC001574162586 950392080 /nfs/dbraw/zinc/39/20/80/950392080.db2.gz DRFAOAZRBRGGBG-GFCCVEGCSA-N -1 1 392.439 1.118 20 0 GDADMM CC(C)c1cc(C(=O)N(C)C[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)n(C)n1 ZINC001574747098 950403757 /nfs/dbraw/zinc/40/37/57/950403757.db2.gz QTTQQDVRCNRZAH-LLVKDONJSA-N -1 1 384.448 1.086 20 0 GDADMM CC(C)c1cc(C(=O)N(C)C[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)n(C)n1 ZINC001574747098 950403769 /nfs/dbraw/zinc/40/37/69/950403769.db2.gz QTTQQDVRCNRZAH-LLVKDONJSA-N -1 1 384.448 1.086 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC001574503300 950406108 /nfs/dbraw/zinc/40/61/08/950406108.db2.gz UJZCPDQSLBXLEE-GXTWGEPZSA-N -1 1 390.513 1.681 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cccc(=O)[nH]1 ZINC001574162903 950408945 /nfs/dbraw/zinc/40/89/45/950408945.db2.gz MDONTRGVRXSZFP-NSHDSACASA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cccc(=O)[nH]1 ZINC001574162903 950408957 /nfs/dbraw/zinc/40/89/57/950408957.db2.gz MDONTRGVRXSZFP-NSHDSACASA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)CC1(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCCC1 ZINC001574162873 950409067 /nfs/dbraw/zinc/40/90/67/950409067.db2.gz KUMJOQBJVFTVBE-CQSZACIVSA-N -1 1 384.488 1.698 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)Cc1ccsc1 ZINC001574163524 950427157 /nfs/dbraw/zinc/42/71/57/950427157.db2.gz VLYXZBADEDFWMW-CYBMUJFWSA-N -1 1 386.485 1.904 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)Cc1ccsc1 ZINC001574163524 950427168 /nfs/dbraw/zinc/42/71/68/950427168.db2.gz VLYXZBADEDFWMW-CYBMUJFWSA-N -1 1 386.485 1.904 20 0 GDADMM CC1(C(=O)NCc2cccc3c2CCN(c2ccnc(-c4nn[n-]n4)n2)C3)CC1 ZINC001575599094 950427739 /nfs/dbraw/zinc/42/77/39/950427739.db2.gz CPBCFUPMZIYIKB-UHFFFAOYSA-N -1 1 390.451 1.636 20 0 GDADMM CC(C)CC1(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CCCC1 ZINC001574165311 950444201 /nfs/dbraw/zinc/44/42/01/950444201.db2.gz CXAHVZKATGUELC-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C)OC(=O)NCC(C)(C)C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001573861351 950451007 /nfs/dbraw/zinc/45/10/07/950451007.db2.gz ZUXZEPSAYOXNIA-UHFFFAOYSA-N -1 1 375.433 1.429 20 0 GDADMM CC(C)(C)OC(=O)NCC(C)(C)C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001573861351 950451028 /nfs/dbraw/zinc/45/10/28/950451028.db2.gz ZUXZEPSAYOXNIA-UHFFFAOYSA-N -1 1 375.433 1.429 20 0 GDADMM CC1(C(=O)N[C@H]2CC[C@H](Nc3nccnc3-c3nnn[n-]3)CC2)CCOCC1 ZINC001575605309 950457985 /nfs/dbraw/zinc/45/79/85/950457985.db2.gz FYUSYWXLBNJJJF-JOCQHMNTSA-N -1 1 386.460 1.313 20 0 GDADMM CC1(C(=O)N[C@H]2CC[C@H](Nc3nccnc3-c3nn[n-]n3)CC2)CCOCC1 ZINC001575605309 950457999 /nfs/dbraw/zinc/45/79/99/950457999.db2.gz FYUSYWXLBNJJJF-JOCQHMNTSA-N -1 1 386.460 1.313 20 0 GDADMM CC(C)CCC(=O)N(C)C[C@@H](O)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001574167314 950479449 /nfs/dbraw/zinc/47/94/49/950479449.db2.gz ABTNITWIPVUHCV-VIFPVBQESA-N -1 1 387.897 1.644 20 0 GDADMM CC(C)CCC(=O)N(C)C[C@@H](O)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001574167314 950479457 /nfs/dbraw/zinc/47/94/57/950479457.db2.gz ABTNITWIPVUHCV-VIFPVBQESA-N -1 1 387.897 1.644 20 0 GDADMM CC(C)c1cccc(C(=O)N(C)C[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)n1 ZINC001574752692 950494292 /nfs/dbraw/zinc/49/42/92/950494292.db2.gz FEXFGVJMXTXYKA-LBPRGKRZSA-N -1 1 381.444 1.748 20 0 GDADMM CC(C)c1cccc(C(=O)N(C)C[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)n1 ZINC001574752692 950494304 /nfs/dbraw/zinc/49/43/04/950494304.db2.gz FEXFGVJMXTXYKA-LBPRGKRZSA-N -1 1 381.444 1.748 20 0 GDADMM C[C@]1(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CCc2ccccc21 ZINC001575607025 950500264 /nfs/dbraw/zinc/50/02/64/950500264.db2.gz FKJCJFXJIAWLOM-YRVVQQKDSA-N -1 1 390.451 1.620 20 0 GDADMM C[C@]1(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CCc2ccccc21 ZINC001575607025 950500274 /nfs/dbraw/zinc/50/02/74/950500274.db2.gz FKJCJFXJIAWLOM-YRVVQQKDSA-N -1 1 390.451 1.620 20 0 GDADMM CC(C)(C)OCC(=O)N1CCCCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573866491 950503882 /nfs/dbraw/zinc/50/38/82/950503882.db2.gz DVTXROAGVKKGHM-CYBMUJFWSA-N -1 1 388.476 1.655 20 0 GDADMM CC(C)(C)OCC(=O)N1CCCCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573866491 950503895 /nfs/dbraw/zinc/50/38/95/950503895.db2.gz DVTXROAGVKKGHM-CYBMUJFWSA-N -1 1 388.476 1.655 20 0 GDADMM CC1(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CCC(F)(F)CC1 ZINC001575608048 950514380 /nfs/dbraw/zinc/51/43/80/950514380.db2.gz MKRQVQSYCLPZDO-XYPYZODXSA-N -1 1 392.414 1.931 20 0 GDADMM CC1(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CCC(F)(F)CC1 ZINC001575608048 950514405 /nfs/dbraw/zinc/51/44/05/950514405.db2.gz MKRQVQSYCLPZDO-XYPYZODXSA-N -1 1 392.414 1.931 20 0 GDADMM C[C@H](CC(=O)NCCN(c1cnc(-c2nnn[n-]2)cn1)C1CC1)n1cccc1 ZINC001574509665 950523622 /nfs/dbraw/zinc/52/36/22/950523622.db2.gz VBRAQPRMTMALGH-CYBMUJFWSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](CC(=O)NCCN(c1cnc(-c2nn[n-]n2)cn1)C1CC1)n1cccc1 ZINC001574509665 950523643 /nfs/dbraw/zinc/52/36/43/950523643.db2.gz VBRAQPRMTMALGH-CYBMUJFWSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](CC(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1)c1ccccc1F ZINC001574509983 950535625 /nfs/dbraw/zinc/53/56/25/950535625.db2.gz XRROCQAKNPZKCK-GFCCVEGCSA-N -1 1 384.419 1.542 20 0 GDADMM C[C@H](CC(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1)c1ccccc1F ZINC001574509983 950535633 /nfs/dbraw/zinc/53/56/33/950535633.db2.gz XRROCQAKNPZKCK-GFCCVEGCSA-N -1 1 384.419 1.542 20 0 GDADMM CC1(C(=O)N[C@H]2C[C@H](Nc3nccnc3-c3nnn[n-]3)C2)CCC(F)(F)CC1 ZINC001575614553 950538527 /nfs/dbraw/zinc/53/85/27/950538527.db2.gz HZOSETVVGRSZSW-XYPYZODXSA-N -1 1 392.414 1.931 20 0 GDADMM CC1(C(=O)N[C@H]2C[C@H](Nc3nccnc3-c3nn[n-]n3)C2)CCC(F)(F)CC1 ZINC001575614553 950538548 /nfs/dbraw/zinc/53/85/48/950538548.db2.gz HZOSETVVGRSZSW-XYPYZODXSA-N -1 1 392.414 1.931 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001574511713 950572399 /nfs/dbraw/zinc/57/23/99/950572399.db2.gz QYJLZCGFDQFOLD-ZIAGYGMSSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001574511713 950572419 /nfs/dbraw/zinc/57/24/19/950572419.db2.gz QYJLZCGFDQFOLD-ZIAGYGMSSA-N -1 1 381.444 1.195 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001573869922 950579439 /nfs/dbraw/zinc/57/94/39/950579439.db2.gz RQLGZJMAZJKALV-FZKQIMNGSA-N -1 1 386.460 1.089 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001573869922 950579450 /nfs/dbraw/zinc/57/94/50/950579450.db2.gz RQLGZJMAZJKALV-FZKQIMNGSA-N -1 1 386.460 1.089 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575616605 950591470 /nfs/dbraw/zinc/59/14/70/950591470.db2.gz SKWDTZARAARNGO-GFCCVEGCSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cccnc1C(F)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574758374 950609251 /nfs/dbraw/zinc/60/92/51/950609251.db2.gz BKPOMSWMGAMFQC-VIFPVBQESA-N -1 1 389.370 1.562 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cccnc1C(F)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574758374 950609261 /nfs/dbraw/zinc/60/92/61/950609261.db2.gz BKPOMSWMGAMFQC-VIFPVBQESA-N -1 1 389.370 1.562 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)c[nH]1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575000842 950618407 /nfs/dbraw/zinc/61/84/07/950618407.db2.gz GSWUJNTZWBTLLU-ZCFIWIBFSA-N -1 1 384.828 1.922 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)c[nH]1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575000842 950618420 /nfs/dbraw/zinc/61/84/20/950618420.db2.gz GSWUJNTZWBTLLU-ZCFIWIBFSA-N -1 1 384.828 1.922 20 0 GDADMM CC1(C)C(C(=O)N2CC[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)C1(C)C ZINC001575619753 950621180 /nfs/dbraw/zinc/62/11/80/950621180.db2.gz PKHSLVYPXLUGLX-WCQYABFASA-N -1 1 382.472 1.376 20 0 GDADMM CC1(C)C(C(=O)N2CC[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)C1(C)C ZINC001575619753 950621189 /nfs/dbraw/zinc/62/11/89/950621189.db2.gz PKHSLVYPXLUGLX-WCQYABFASA-N -1 1 382.472 1.376 20 0 GDADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(Cl)cs1 ZINC001575920259 950631333 /nfs/dbraw/zinc/63/13/33/950631333.db2.gz LZJHLZLMYQLYEM-WPRPVWTQSA-N -1 1 390.860 1.509 20 0 GDADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)C1CCC2(CC2)CC1 ZINC001575920523 950632645 /nfs/dbraw/zinc/63/26/45/950632645.db2.gz MJMCEOOONWAROA-GXTWGEPZSA-N -1 1 382.472 1.450 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N(C)C[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574760176 950655598 /nfs/dbraw/zinc/65/55/98/950655598.db2.gz HABQBCPQWWPVAZ-NSHDSACASA-N -1 1 384.448 1.086 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N(C)C[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574760176 950655623 /nfs/dbraw/zinc/65/56/23/950655623.db2.gz HABQBCPQWWPVAZ-NSHDSACASA-N -1 1 384.448 1.086 20 0 GDADMM CC1(C)CC(C(=O)N2C[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@@]3(C)C2)C1 ZINC001575624299 950665192 /nfs/dbraw/zinc/66/51/92/950665192.db2.gz IFTBFUQURMYOGI-YJYMSZOUSA-N -1 1 382.472 1.378 20 0 GDADMM CC1(C)CC(C(=O)N2C[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@@]3(C)C2)C1 ZINC001575624299 950665205 /nfs/dbraw/zinc/66/52/05/950665205.db2.gz IFTBFUQURMYOGI-YJYMSZOUSA-N -1 1 382.472 1.378 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CCC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573876507 950675980 /nfs/dbraw/zinc/67/59/80/950675980.db2.gz OJEGSXGPLUOBLV-MGPQQGTHSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CCC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573876507 950675990 /nfs/dbraw/zinc/67/59/90/950675990.db2.gz OJEGSXGPLUOBLV-MGPQQGTHSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cccnc1C1CC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574760685 950676165 /nfs/dbraw/zinc/67/61/65/950676165.db2.gz XUOQFUIKZKBVEB-NSHDSACASA-N -1 1 379.428 1.502 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cccnc1C1CC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574760685 950676171 /nfs/dbraw/zinc/67/61/71/950676171.db2.gz XUOQFUIKZKBVEB-NSHDSACASA-N -1 1 379.428 1.502 20 0 GDADMM C[C@H](CNC(=O)c1cc2ncccc2o1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575005363 950679645 /nfs/dbraw/zinc/67/96/45/950679645.db2.gz BVKOOETVYDQSKY-SNVBAGLBSA-N -1 1 379.384 1.053 20 0 GDADMM C[C@H](CNC(=O)c1cc2ncccc2o1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575005363 950679662 /nfs/dbraw/zinc/67/96/62/950679662.db2.gz BVKOOETVYDQSKY-SNVBAGLBSA-N -1 1 379.384 1.053 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccnn1C1CCC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574761167 950692640 /nfs/dbraw/zinc/69/26/40/950692640.db2.gz RRGMTXIYUDSAPE-NSHDSACASA-N -1 1 382.432 1.151 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccnn1C1CCC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574761167 950692648 /nfs/dbraw/zinc/69/26/48/950692648.db2.gz RRGMTXIYUDSAPE-NSHDSACASA-N -1 1 382.432 1.151 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576215832 950713314 /nfs/dbraw/zinc/71/33/14/950713314.db2.gz BUGHFRDAGAJKER-GHMZBOCLSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576215832 950713326 /nfs/dbraw/zinc/71/33/26/950713326.db2.gz BUGHFRDAGAJKER-GHMZBOCLSA-N -1 1 392.414 1.599 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NCC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573878536 950714314 /nfs/dbraw/zinc/71/43/14/950714314.db2.gz SLMIFEHJHBWIEP-MGPQQGTHSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NCC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573878536 950714331 /nfs/dbraw/zinc/71/43/31/950714331.db2.gz SLMIFEHJHBWIEP-MGPQQGTHSA-N -1 1 384.488 1.672 20 0 GDADMM CC1(C)CC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(c2cncc(-c4nnn[n-]4)n2)C3)C1 ZINC001575628267 950715018 /nfs/dbraw/zinc/71/50/18/950715018.db2.gz BFWHBEYVHYKORU-UBHSHLNASA-N -1 1 382.472 1.566 20 0 GDADMM CC1(C)CC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(c2cncc(-c4nn[n-]n4)n2)C3)C1 ZINC001575628267 950715030 /nfs/dbraw/zinc/71/50/30/950715030.db2.gz BFWHBEYVHYKORU-UBHSHLNASA-N -1 1 382.472 1.566 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001573878706 950719312 /nfs/dbraw/zinc/71/93/12/950719312.db2.gz YNWSCBIBVJWZNY-BFHYXJOUSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001573878706 950719330 /nfs/dbraw/zinc/71/93/30/950719330.db2.gz YNWSCBIBVJWZNY-BFHYXJOUSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)CCC(=O)NC[C@]12CCC[C@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001574180305 950724117 /nfs/dbraw/zinc/72/41/17/950724117.db2.gz REAXKMZGJXWLCN-DNVCBOLYSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CCC(=O)NC[C@]12CCC[C@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001574180305 950724136 /nfs/dbraw/zinc/72/41/36/950724136.db2.gz REAXKMZGJXWLCN-DNVCBOLYSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CN(C(=O)C(C2CC2)C2CC2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576216216 950725099 /nfs/dbraw/zinc/72/50/99/950725099.db2.gz DCGKFLPGLKQMRQ-FZMZJTMJSA-N -1 1 382.472 1.021 20 0 GDADMM CC1(C)CC(C(=O)NC[C@@H]2CCCCCN2c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575628760 950725975 /nfs/dbraw/zinc/72/59/75/950725975.db2.gz GKHYMHOFMGPSIR-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CC(C(=O)NC[C@@H]2CCCCCN2c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575628760 950725991 /nfs/dbraw/zinc/72/59/91/950725991.db2.gz GKHYMHOFMGPSIR-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CNC(=O)c1cc2n(c1)CCCC2)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575006947 950731543 /nfs/dbraw/zinc/73/15/43/950731543.db2.gz YTZQDMXPALTSIJ-LBPRGKRZSA-N -1 1 381.444 1.049 20 0 GDADMM C[C@@H](CNC(=O)c1cc2n(c1)CCCC2)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575006947 950731560 /nfs/dbraw/zinc/73/15/60/950731560.db2.gz YTZQDMXPALTSIJ-LBPRGKRZSA-N -1 1 381.444 1.049 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1cscn1 ZINC001575927520 950743870 /nfs/dbraw/zinc/74/38/70/950743870.db2.gz PWVDDCSZUQHIGF-CMPLNLGQSA-N -1 1 385.457 1.147 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1cscn1 ZINC001575927520 950743893 /nfs/dbraw/zinc/74/38/93/950743893.db2.gz PWVDDCSZUQHIGF-CMPLNLGQSA-N -1 1 385.457 1.147 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576217487 950763810 /nfs/dbraw/zinc/76/38/10/950763810.db2.gz IFDFKASSWLJDQV-GXSJLCMTSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576217487 950763826 /nfs/dbraw/zinc/76/38/26/950763826.db2.gz IFDFKASSWLJDQV-GXSJLCMTSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C2CCC2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576217677 950767447 /nfs/dbraw/zinc/76/74/47/950767447.db2.gz IPBIGEMESBSTBP-CHWSQXEVSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C2CCC2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576217677 950767466 /nfs/dbraw/zinc/76/74/66/950767466.db2.gz IPBIGEMESBSTBP-CHWSQXEVSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CC2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576217771 950768769 /nfs/dbraw/zinc/76/87/69/950768769.db2.gz JESCVDZVNKEPLO-UWVGGRQHSA-N -1 1 378.387 1.208 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CC2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576217771 950768779 /nfs/dbraw/zinc/76/87/79/950768779.db2.gz JESCVDZVNKEPLO-UWVGGRQHSA-N -1 1 378.387 1.208 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cc(C2CC2)no1 ZINC001575930219 950797959 /nfs/dbraw/zinc/79/79/59/950797959.db2.gz FBNYXTDVJSMQLI-ONGXEEELSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(C2CC2)no1 ZINC001575930219 950797974 /nfs/dbraw/zinc/79/79/74/950797974.db2.gz FBNYXTDVJSMQLI-ONGXEEELSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H]1[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)CCN1C(=O)c1cncnc1 ZINC001575931203 950804923 /nfs/dbraw/zinc/80/49/23/950804923.db2.gz HLEGRQYPASZDFA-VXNVDRBHSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCN1C(=O)c1cncnc1 ZINC001575931203 950804934 /nfs/dbraw/zinc/80/49/34/950804934.db2.gz HLEGRQYPASZDFA-VXNVDRBHSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)(F)F)CC2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576219570 950808057 /nfs/dbraw/zinc/80/80/57/950808057.db2.gz OJKKFZJGIGFFKW-WPRPVWTQSA-N -1 1 382.350 1.258 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)(F)F)CC2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576219570 950808077 /nfs/dbraw/zinc/80/80/77/950808077.db2.gz OJKKFZJGIGFFKW-WPRPVWTQSA-N -1 1 382.350 1.258 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cc(C(F)F)n[nH]1 ZINC001575931528 950812206 /nfs/dbraw/zinc/81/22/06/950812206.db2.gz IMUVCNVJGRFJSM-HTQZYQBOSA-N -1 1 390.358 1.033 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(C(F)F)n[nH]1 ZINC001575931528 950812222 /nfs/dbraw/zinc/81/22/22/950812222.db2.gz IMUVCNVJGRFJSM-HTQZYQBOSA-N -1 1 390.358 1.033 20 0 GDADMM CC(C)(C)c1n[nH]cc1C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001573885127 950814883 /nfs/dbraw/zinc/81/48/83/950814883.db2.gz SKZHWZLWHQEJOX-UHFFFAOYSA-N -1 1 382.432 1.052 20 0 GDADMM CC(C)(C)c1n[nH]cc1C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001573885127 950814910 /nfs/dbraw/zinc/81/49/10/950814910.db2.gz SKZHWZLWHQEJOX-UHFFFAOYSA-N -1 1 382.432 1.052 20 0 GDADMM CC1(C)CC(CC(=O)N2C[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]3C2)C1 ZINC001575633706 950816298 /nfs/dbraw/zinc/81/62/98/950816298.db2.gz UERYDIDCFSRZOB-OKILXGFUSA-N -1 1 382.472 1.378 20 0 GDADMM CC1(C)CC(CC(=O)N2C[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]3C2)C1 ZINC001575633706 950816316 /nfs/dbraw/zinc/81/63/16/950816316.db2.gz UERYDIDCFSRZOB-OKILXGFUSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H]1CN(C(=O)C(F)=C2CCCC2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576219986 950818272 /nfs/dbraw/zinc/81/82/72/950818272.db2.gz PMHBFTAFJAAJGA-YPMHNXCESA-N -1 1 386.435 1.961 20 0 GDADMM C[C@@H]1CN(C(=O)C(F)=C2CCCC2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576219986 950818294 /nfs/dbraw/zinc/81/82/94/950818294.db2.gz PMHBFTAFJAAJGA-YPMHNXCESA-N -1 1 386.435 1.961 20 0 GDADMM CC(C)CCCC(=O)N1CCO[C@H]([C@@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574187783 950834583 /nfs/dbraw/zinc/83/45/83/950834583.db2.gz QDJKTUMXBDBWJA-KGLIPLIRSA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)CCCC(=O)N1CCO[C@H]([C@@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574187783 950834608 /nfs/dbraw/zinc/83/46/08/950834608.db2.gz QDJKTUMXBDBWJA-KGLIPLIRSA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)CCCC(=O)N1CCO[C@@H]([C@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574187784 950835340 /nfs/dbraw/zinc/83/53/40/950835340.db2.gz QDJKTUMXBDBWJA-UONOGXRCSA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)CCCC(=O)N1CCO[C@@H]([C@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574187784 950835364 /nfs/dbraw/zinc/83/53/64/950835364.db2.gz QDJKTUMXBDBWJA-UONOGXRCSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H]1[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)CCN1C(=O)c1cnco1 ZINC001575933269 950835864 /nfs/dbraw/zinc/83/58/64/950835864.db2.gz NRUVABZUMTXYBI-RQJHMYQMSA-N -1 1 380.821 1.680 20 0 GDADMM C[C@@H]1[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCN1C(=O)c1cnco1 ZINC001575933269 950835895 /nfs/dbraw/zinc/83/58/95/950835895.db2.gz NRUVABZUMTXYBI-RQJHMYQMSA-N -1 1 380.821 1.680 20 0 GDADMM CC(C)CCCC(=O)N1CC[C@@H]2[C@@H](CCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001574187823 950840843 /nfs/dbraw/zinc/84/08/43/950840843.db2.gz QVFHQJZVBUHJEY-LSDHHAIUSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CCCC(=O)N1CC[C@@H]2[C@@H](CCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001574187823 950840869 /nfs/dbraw/zinc/84/08/69/950840869.db2.gz QVFHQJZVBUHJEY-LSDHHAIUSA-N -1 1 384.488 1.910 20 0 GDADMM CC1(C)C[C@@H](NC(=O)[C@@H]2CC23CC3)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575638553 950841336 /nfs/dbraw/zinc/84/13/36/950841336.db2.gz HJMLZTQYTWOCIC-STQMWFEESA-N -1 1 382.472 1.568 20 0 GDADMM CC1(C)C[C@@H](NC(=O)[C@@H]2CC23CC3)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575638553 950841372 /nfs/dbraw/zinc/84/13/72/950841372.db2.gz HJMLZTQYTWOCIC-STQMWFEESA-N -1 1 382.472 1.568 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)n1 ZINC001573887472 950842716 /nfs/dbraw/zinc/84/27/16/950842716.db2.gz CQLMYUNGMPWTFX-LLVKDONJSA-N -1 1 380.412 1.883 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)n1 ZINC001573887472 950842740 /nfs/dbraw/zinc/84/27/40/950842740.db2.gz CQLMYUNGMPWTFX-LLVKDONJSA-N -1 1 380.412 1.883 20 0 GDADMM CC1(C)CC(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575638823 950844081 /nfs/dbraw/zinc/84/40/81/950844081.db2.gz JZOPMXSHVYCVMS-IPYPFGDCSA-N -1 1 382.472 1.709 20 0 GDADMM CC1(C)CC(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575638823 950844109 /nfs/dbraw/zinc/84/41/09/950844109.db2.gz JZOPMXSHVYCVMS-IPYPFGDCSA-N -1 1 382.472 1.709 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CC2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576221217 950850108 /nfs/dbraw/zinc/85/01/08/950850108.db2.gz VBIUFGYNCQYNTC-ZJUUUORDSA-N -1 1 378.387 1.208 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CC2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576221217 950850122 /nfs/dbraw/zinc/85/01/22/950850122.db2.gz VBIUFGYNCQYNTC-ZJUUUORDSA-N -1 1 378.387 1.208 20 0 GDADMM C[C@@H](CN(C)C(=O)c1sccc1C1CC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574767642 950857506 /nfs/dbraw/zinc/85/75/06/950857506.db2.gz PLPLUHGPJYDWHK-JTQLQIEISA-N -1 1 384.469 1.590 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C(F)F)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576222358 950866688 /nfs/dbraw/zinc/86/66/88/950866688.db2.gz YHKARSMXAIALKT-NXEZZACHSA-N -1 1 380.403 1.019 20 0 GDADMM C[C@@H](CN(C)C(=O)c1coc(CC2CC2)n1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574768064 950877935 /nfs/dbraw/zinc/87/79/35/950877935.db2.gz XKUMDOOZJQKNFX-JTQLQIEISA-N -1 1 383.416 1.170 20 0 GDADMM C[C@@H](CN(C)C(=O)c1coc(CC2CC2)n1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574768064 950877955 /nfs/dbraw/zinc/87/79/55/950877955.db2.gz XKUMDOOZJQKNFX-JTQLQIEISA-N -1 1 383.416 1.170 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)CC=CC2)CC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576226826 950891437 /nfs/dbraw/zinc/89/14/37/950891437.db2.gz AVYZKTRRGFXPAL-UONOGXRCSA-N -1 1 382.472 1.910 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)CC=CC2)CC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576226826 950891447 /nfs/dbraw/zinc/89/14/47/950891447.db2.gz AVYZKTRRGFXPAL-UONOGXRCSA-N -1 1 382.472 1.910 20 0 GDADMM C[C@H](CN(C)C(=O)c1noc2c1CCCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574768906 950903110 /nfs/dbraw/zinc/90/31/10/950903110.db2.gz XFIJDSFBRQUBIT-SNVBAGLBSA-N -1 1 383.416 1.096 20 0 GDADMM C[C@H](CN(C)C(=O)c1noc2c1CCCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574768906 950903127 /nfs/dbraw/zinc/90/31/27/950903127.db2.gz XFIJDSFBRQUBIT-SNVBAGLBSA-N -1 1 383.416 1.096 20 0 GDADMM C[C@H]1CN(C(=O)CC(C)(C)C2CC2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576228129 950934226 /nfs/dbraw/zinc/93/42/26/950934226.db2.gz JDARDIHKXQISBY-STQMWFEESA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H]1CN(C(=O)CC(C)(C)C2CC2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576228129 950934239 /nfs/dbraw/zinc/93/42/39/950934239.db2.gz JDARDIHKXQISBY-STQMWFEESA-N -1 1 384.488 1.989 20 0 GDADMM CC1(CC(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)CC(C)(C)C2)CC1 ZINC001575642342 950934668 /nfs/dbraw/zinc/93/46/68/950934668.db2.gz SYPANJIRVBQYLT-CYBMUJFWSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(CC(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)CC(C)(C)C2)CC1 ZINC001575642342 950934684 /nfs/dbraw/zinc/93/46/84/950934684.db2.gz SYPANJIRVBQYLT-CYBMUJFWSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(CC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccccc1 ZINC001573895442 950937935 /nfs/dbraw/zinc/93/79/35/950937935.db2.gz BCEZBKORXRDASD-HNNXBMFYSA-N -1 1 392.467 1.720 20 0 GDADMM CC(C)(CC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccccc1 ZINC001573895442 950937950 /nfs/dbraw/zinc/93/79/50/950937950.db2.gz BCEZBKORXRDASD-HNNXBMFYSA-N -1 1 392.467 1.720 20 0 GDADMM C[C@@H]1C[C@H](C(=O)N(C)CC(C)(C)CNc2nccnc2-c2nnn[n-]2)CCO1 ZINC001575937524 950950784 /nfs/dbraw/zinc/95/07/84/950950784.db2.gz FPCQNLXNFKGUCP-CHWSQXEVSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@@H]1C[C@H](C(=O)N(C)CC(C)(C)CNc2nccnc2-c2nn[n-]n2)CCO1 ZINC001575937524 950950807 /nfs/dbraw/zinc/95/08/07/950950807.db2.gz FPCQNLXNFKGUCP-CHWSQXEVSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)(CC(=O)N1CCO[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)C1CC1 ZINC001573897213 950958212 /nfs/dbraw/zinc/95/82/12/950958212.db2.gz MLACHRFJBGGTIQ-CYBMUJFWSA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)(CC(=O)N1CCO[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001573897213 950958227 /nfs/dbraw/zinc/95/82/27/950958227.db2.gz MLACHRFJBGGTIQ-CYBMUJFWSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H]1C[C@H](C(=O)N(C)CC(C)(C)CNc2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001575937792 950961534 /nfs/dbraw/zinc/96/15/34/950961534.db2.gz HDDWQPKJFAMPIR-QWHCGFSZSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@H]1C[C@H](C(=O)N(C)CC(C)(C)CNc2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001575937792 950961552 /nfs/dbraw/zinc/96/15/52/950961552.db2.gz HDDWQPKJFAMPIR-QWHCGFSZSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)(CC(=O)N1CCO[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)C1CC1 ZINC001573898328 950975047 /nfs/dbraw/zinc/97/50/47/950975047.db2.gz ZHLWYQXFRVSRIV-CYBMUJFWSA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)(CC(=O)N1CCO[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)C1CC1 ZINC001573898328 950975058 /nfs/dbraw/zinc/97/50/58/950975058.db2.gz ZHLWYQXFRVSRIV-CYBMUJFWSA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573899491 950978382 /nfs/dbraw/zinc/97/83/82/950978382.db2.gz AOYZRYHWVPMIJU-UHFFFAOYSA-N -1 1 384.366 1.284 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573899491 950978400 /nfs/dbraw/zinc/97/84/00/950978400.db2.gz AOYZRYHWVPMIJU-UHFFFAOYSA-N -1 1 384.366 1.284 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573899835 950989734 /nfs/dbraw/zinc/98/97/34/950989734.db2.gz KXQHPCSRSFYFEF-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573899835 950989747 /nfs/dbraw/zinc/98/97/47/950989747.db2.gz KXQHPCSRSFYFEF-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(CC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)CC(F)F ZINC001573900022 950993505 /nfs/dbraw/zinc/99/35/05/950993505.db2.gz PRSBMNPCSHRTIV-AOOOYVTPSA-N -1 1 380.403 1.787 20 0 GDADMM CC(C)(CC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)CC(F)F ZINC001573900022 950993528 /nfs/dbraw/zinc/99/35/28/950993528.db2.gz PRSBMNPCSHRTIV-AOOOYVTPSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)F)cc1F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575018636 951022967 /nfs/dbraw/zinc/02/29/67/951022967.db2.gz NMPYZNUCYLKYJM-QMMMGPOBSA-N -1 1 392.345 1.964 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)F)cc1F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575018636 951022979 /nfs/dbraw/zinc/02/29/79/951022979.db2.gz NMPYZNUCYLKYJM-QMMMGPOBSA-N -1 1 392.345 1.964 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(C)(C)C)cn1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575019916 951048870 /nfs/dbraw/zinc/04/88/70/951048870.db2.gz WYMTYFZBIQRKIT-LLVKDONJSA-N -1 1 381.444 1.002 20 0 GDADMM CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)N1CC[C@@](COC)(C(=O)[O-])C1 ZINC001591092154 951064365 /nfs/dbraw/zinc/06/43/65/951064365.db2.gz RGAFWCDIXOXBGP-KPZWWZAWSA-N -1 1 398.481 1.983 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)cc1F)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575022777 951072837 /nfs/dbraw/zinc/07/28/37/951072837.db2.gz JFKXVXSMLBWBIT-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)cc1F)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575022777 951072847 /nfs/dbraw/zinc/07/28/47/951072847.db2.gz JFKXVXSMLBWBIT-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)c(F)c1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575024142 951091623 /nfs/dbraw/zinc/09/16/23/951091623.db2.gz WDLBSPVHRIQJIW-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)c(F)c1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575024142 951091636 /nfs/dbraw/zinc/09/16/36/951091636.db2.gz WDLBSPVHRIQJIW-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C2CC2)cn1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575024147 951093535 /nfs/dbraw/zinc/09/35/35/951093535.db2.gz WHHOWYYYYKTERM-LLVKDONJSA-N -1 1 379.428 1.407 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C2CC2)cn1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575024147 951093551 /nfs/dbraw/zinc/09/35/51/951093551.db2.gz WHHOWYYYYKTERM-LLVKDONJSA-N -1 1 379.428 1.407 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)cc1Cl)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575024329 951097851 /nfs/dbraw/zinc/09/78/51/951097851.db2.gz AYKXMVRHRAYEIL-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)cc1Cl)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575024329 951097865 /nfs/dbraw/zinc/09/78/65/951097865.db2.gz AYKXMVRHRAYEIL-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCO2)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575024522 951107504 /nfs/dbraw/zinc/10/75/04/951107504.db2.gz GJALZDCISYOSCH-NSHDSACASA-N -1 1 380.412 1.070 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCO2)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575024522 951107511 /nfs/dbraw/zinc/10/75/11/951107511.db2.gz GJALZDCISYOSCH-NSHDSACASA-N -1 1 380.412 1.070 20 0 GDADMM C[C@H](CNC(=O)c1ccc(N(C)C)cc1F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575024774 951114830 /nfs/dbraw/zinc/11/48/30/951114830.db2.gz MNHSQLARDGMHKF-SNVBAGLBSA-N -1 1 385.407 1.092 20 0 GDADMM C[C@H](CNC(=O)c1ccc(N(C)C)cc1F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575024774 951114838 /nfs/dbraw/zinc/11/48/38/951114838.db2.gz MNHSQLARDGMHKF-SNVBAGLBSA-N -1 1 385.407 1.092 20 0 GDADMM CC(C)Oc1ccc(C(=O)NC[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)nc1 ZINC001575024829 951118243 /nfs/dbraw/zinc/11/82/43/951118243.db2.gz NKXSIISKEAOPAO-LLVKDONJSA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1ccc(C(=O)NC[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)nc1 ZINC001575024829 951118250 /nfs/dbraw/zinc/11/82/50/951118250.db2.gz NKXSIISKEAOPAO-LLVKDONJSA-N -1 1 383.416 1.069 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCC2)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575025142 951128751 /nfs/dbraw/zinc/12/87/51/951128751.db2.gz VXBCUCLJEUSVMN-LBPRGKRZSA-N -1 1 378.440 1.400 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCC2)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575025142 951128756 /nfs/dbraw/zinc/12/87/56/951128756.db2.gz VXBCUCLJEUSVMN-LBPRGKRZSA-N -1 1 378.440 1.400 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(C2CC2)c1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575026719 951145151 /nfs/dbraw/zinc/14/51/51/951145151.db2.gz MGTJTBBRAZPWLC-LBPRGKRZSA-N -1 1 378.440 1.789 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(C2CC2)c1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575026719 951145158 /nfs/dbraw/zinc/14/51/58/951145158.db2.gz MGTJTBBRAZPWLC-LBPRGKRZSA-N -1 1 378.440 1.789 20 0 GDADMM C[C@H](CNC(=O)c1ccc2cnccc2c1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575027528 951157232 /nfs/dbraw/zinc/15/72/32/951157232.db2.gz RPBSQGMCZNDEFW-GFCCVEGCSA-N -1 1 389.423 1.460 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(F)c1Cl)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575029272 951184563 /nfs/dbraw/zinc/18/45/63/951184563.db2.gz RYVWNEWFUXXMKA-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(F)c1Cl)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575029272 951184571 /nfs/dbraw/zinc/18/45/71/951184571.db2.gz RYVWNEWFUXXMKA-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CNC(=O)c1cccnc1C1CC1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575032010 951211989 /nfs/dbraw/zinc/21/19/89/951211989.db2.gz OBURJKTZQAGBLE-NSHDSACASA-N -1 1 379.428 1.184 20 0 GDADMM CC(C)Oc1ncccc1C(=O)NC[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575032349 951223878 /nfs/dbraw/zinc/22/38/78/951223878.db2.gz XMTSOZZFKHXTMW-NSHDSACASA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1ncccc1C(=O)NC[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575032349 951223886 /nfs/dbraw/zinc/22/38/86/951223886.db2.gz XMTSOZZFKHXTMW-NSHDSACASA-N -1 1 383.416 1.069 20 0 GDADMM C[C@H](CNC(=O)c1cccnn1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575032489 951226530 /nfs/dbraw/zinc/22/65/30/951226530.db2.gz ZABPUHRKQOYORH-SSDOTTSWSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@H](CNC(=O)c1cccnn1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575032489 951226536 /nfs/dbraw/zinc/22/65/36/951226536.db2.gz ZABPUHRKQOYORH-SSDOTTSWSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@H](CNC(=O)c1ccnnc1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575034122 951238030 /nfs/dbraw/zinc/23/80/30/951238030.db2.gz IEHXSJFWCLFEOA-SSDOTTSWSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@H](CNC(=O)c1ccn(C)c1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575035806 951282111 /nfs/dbraw/zinc/28/21/11/951282111.db2.gz LZAZRJYZQXDDPX-MRVPVSSYSA-N -1 1 380.865 1.793 20 0 GDADMM C[C@H](CNC(=O)c1ccnc(C2CC2)c1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575036988 951304818 /nfs/dbraw/zinc/30/48/18/951304818.db2.gz ZJEPNCSZVNUFJV-NSHDSACASA-N -1 1 379.428 1.407 20 0 GDADMM C[C@H](CNC(=O)c1ccnc(C2CC2)c1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575036988 951304833 /nfs/dbraw/zinc/30/48/33/951304833.db2.gz ZJEPNCSZVNUFJV-NSHDSACASA-N -1 1 379.428 1.407 20 0 GDADMM C[C@H]1[C@H](NS(=O)(=O)N2CCC(C(=O)[O-])CC2)CCN1Cc1ccccc1 ZINC000389068296 951344333 /nfs/dbraw/zinc/34/43/33/951344333.db2.gz VPUQCUXGZQASKJ-WMLDXEAASA-N -1 1 381.498 1.280 20 0 GDADMM C[C@@H](CNC(=O)c1cnccn1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575046254 951437241 /nfs/dbraw/zinc/43/72/41/951437241.db2.gz LZMZOCSXHFTWPT-ZETCQYMHSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@@H](CNC(=O)c1cnccn1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575046254 951437251 /nfs/dbraw/zinc/43/72/51/951437251.db2.gz LZMZOCSXHFTWPT-ZETCQYMHSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@@H](CNC(=O)c1cncnc1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575046644 951442486 /nfs/dbraw/zinc/44/24/86/951442486.db2.gz QFBHVIDGBBRXEY-ZETCQYMHSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1cncnc1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575046644 951442495 /nfs/dbraw/zinc/44/24/95/951442495.db2.gz QFBHVIDGBBRXEY-ZETCQYMHSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@H](CNC(=O)c1cnoc1-c1ccco1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575055247 951502276 /nfs/dbraw/zinc/50/22/76/951502276.db2.gz OTXHCKPTUHKLBP-SECBINFHSA-N -1 1 381.356 1.135 20 0 GDADMM C[C@H](CNC(=O)c1cnoc1-c1ccco1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575055247 951502279 /nfs/dbraw/zinc/50/22/79/951502279.db2.gz OTXHCKPTUHKLBP-SECBINFHSA-N -1 1 381.356 1.135 20 0 GDADMM C[C@H](CNC(=O)c1coc(C2CCC2)n1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575056919 951524805 /nfs/dbraw/zinc/52/48/05/951524805.db2.gz MNPNDOBMJORBMD-SNVBAGLBSA-N -1 1 383.416 1.167 20 0 GDADMM C[C@H](CNC(=O)c1coc(C2CCC2)n1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575056919 951524813 /nfs/dbraw/zinc/52/48/13/951524813.db2.gz MNPNDOBMJORBMD-SNVBAGLBSA-N -1 1 383.416 1.167 20 0 GDADMM C[C@@H](CNC(=O)c1csc(C2CC2)n1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575058261 951534435 /nfs/dbraw/zinc/53/44/35/951534435.db2.gz VEGWMEPJYFMLBS-SECBINFHSA-N -1 1 385.457 1.469 20 0 GDADMM C[C@@H](CNC(=O)c1csc(C2CC2)n1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575058261 951534442 /nfs/dbraw/zinc/53/44/42/951534442.db2.gz VEGWMEPJYFMLBS-SECBINFHSA-N -1 1 385.457 1.469 20 0 GDADMM C[C@H](CNC(=O)c1coc(-c2nnn[n-]2)c1)c1ccc(S(C)(=O)=O)cc1 ZINC001575058945 951536788 /nfs/dbraw/zinc/53/67/88/951536788.db2.gz WWUOHNSXWMHTKH-SNVBAGLBSA-N -1 1 375.410 1.397 20 0 GDADMM C[C@H](CNC(=O)c1coc(-c2nn[n-]n2)c1)c1ccc(S(C)(=O)=O)cc1 ZINC001575058945 951536797 /nfs/dbraw/zinc/53/67/97/951536797.db2.gz WWUOHNSXWMHTKH-SNVBAGLBSA-N -1 1 375.410 1.397 20 0 GDADMM CC(C)[C@H](CN(C)Cc1ccccc1)NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000398202695 951584984 /nfs/dbraw/zinc/58/49/84/951584984.db2.gz NIDPIUJKWKTUCT-SFHVURJKSA-N -1 1 397.541 1.774 20 0 GDADMM C[C@H](CNC(=O)c1nccs1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001575066025 951591310 /nfs/dbraw/zinc/59/13/10/951591310.db2.gz DAJIFKNGRDDJCS-ZCFIWIBFSA-N -1 1 384.878 1.688 20 0 GDADMM C[C@H](CNC(=O)c1nccs1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001575066025 951591316 /nfs/dbraw/zinc/59/13/16/951591316.db2.gz DAJIFKNGRDDJCS-ZCFIWIBFSA-N -1 1 384.878 1.688 20 0 GDADMM C[C@@H](CNC(=O)c1scnc1C1CC1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575069409 951643638 /nfs/dbraw/zinc/64/36/38/951643638.db2.gz ILQZURCHSRWAHY-SECBINFHSA-N -1 1 385.457 1.469 20 0 GDADMM C[C@@H](CNC(=O)c1scnc1C1CC1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575069409 951643641 /nfs/dbraw/zinc/64/36/41/951643641.db2.gz ILQZURCHSRWAHY-SECBINFHSA-N -1 1 385.457 1.469 20 0 GDADMM C[C@@H](CNC(=O)c1sccc1Cl)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575070887 951654068 /nfs/dbraw/zinc/65/40/68/951654068.db2.gz VAHCIVAXAYCTMX-MRVPVSSYSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@@H](CNC(=O)c1sccc1Cl)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575070887 951654072 /nfs/dbraw/zinc/65/40/72/951654072.db2.gz VAHCIVAXAYCTMX-MRVPVSSYSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@@H](CNC(=O)c1scnc1C1CC1)CNc1nccnc1-c1nnn[n-]1 ZINC001575071309 951659217 /nfs/dbraw/zinc/65/92/17/951659217.db2.gz ZLHCPXRPCUEMIA-SECBINFHSA-N -1 1 385.457 1.469 20 0 GDADMM C[C@@H](CNC(=O)c1scnc1C1CC1)CNc1nccnc1-c1nn[n-]n1 ZINC001575071309 951659221 /nfs/dbraw/zinc/65/92/21/951659221.db2.gz ZLHCPXRPCUEMIA-SECBINFHSA-N -1 1 385.457 1.469 20 0 GDADMM O=C([O-])CS(=O)(=O)CCN[C@@H](CCO)c1cccc(OC(F)(F)F)c1 ZINC001595124701 952002430 /nfs/dbraw/zinc/00/24/30/952002430.db2.gz XCAHWRJEDYEHCT-LBPRGKRZSA-N -1 1 385.360 1.098 20 0 GDADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)c1occc1Cl)C1CC1 ZINC001575132950 952099602 /nfs/dbraw/zinc/09/96/02/952099602.db2.gz IUTZDLAKGSILOU-INIZCTEOSA-N -1 1 388.819 1.914 20 0 GDADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)c1occc1Cl)C1CC1 ZINC001575132950 952099610 /nfs/dbraw/zinc/09/96/10/952099610.db2.gz IUTZDLAKGSILOU-INIZCTEOSA-N -1 1 388.819 1.914 20 0 GDADMM O=C([O-])Cn1cc(NC(=O)c2cccc(I)c2O)cn1 ZINC001595147706 952121673 /nfs/dbraw/zinc/12/16/73/952121673.db2.gz AJJKVSNJCFTBTJ-UHFFFAOYSA-N -1 1 387.133 1.530 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1noc2c1CCCC2 ZINC001575137306 952136254 /nfs/dbraw/zinc/13/62/54/952136254.db2.gz WJLRCOCZKDUEBG-SNVBAGLBSA-N -1 1 383.416 1.096 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1noc2c1CCCC2 ZINC001575137306 952136258 /nfs/dbraw/zinc/13/62/58/952136258.db2.gz WJLRCOCZKDUEBG-SNVBAGLBSA-N -1 1 383.416 1.096 20 0 GDADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)c1cc(Cl)c[nH]1)C1CC1 ZINC001575143120 952149475 /nfs/dbraw/zinc/14/94/75/952149475.db2.gz NLFDFWMTUFXSEJ-INIZCTEOSA-N -1 1 387.835 1.071 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C[C@H]1CCc2ccccc21 ZINC001575143638 952156037 /nfs/dbraw/zinc/15/60/37/952156037.db2.gz QGCBJHIDZCOODR-DZGCQCFKSA-N -1 1 392.467 1.458 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCCCC1(F)F ZINC001575144902 952173350 /nfs/dbraw/zinc/17/33/50/952173350.db2.gz ZCVMMVFSWSNRJL-MNOVXSKESA-N -1 1 380.403 1.163 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)Oc1ccc(Br)cc1 ZINC001575145398 952183501 /nfs/dbraw/zinc/18/35/01/952183501.db2.gz XCVNJDGOOFJQEJ-VIFPVBQESA-N -1 1 376.218 1.721 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)C1CCC(F)(F)CC1 ZINC001575153198 952206367 /nfs/dbraw/zinc/20/63/67/952206367.db2.gz FBUJREMIKDVUKG-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)C1CCC(F)(F)CC1 ZINC001575153198 952206372 /nfs/dbraw/zinc/20/63/72/952206372.db2.gz FBUJREMIKDVUKG-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H]1CCc2cccnc21 ZINC001575153998 952214486 /nfs/dbraw/zinc/21/44/86/952214486.db2.gz NFBHSTATHCUWJZ-AAEUAGOBSA-N -1 1 379.428 1.041 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H]1CCc2cccnc21 ZINC001575153998 952214498 /nfs/dbraw/zinc/21/44/98/952214498.db2.gz NFBHSTATHCUWJZ-AAEUAGOBSA-N -1 1 379.428 1.041 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1csc(C2CC2)n1 ZINC001575154381 952221141 /nfs/dbraw/zinc/22/11/41/952221141.db2.gz BYABFFMQQQKTIW-VIFPVBQESA-N -1 1 385.457 1.563 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1csc(C2CC2)n1 ZINC001575154381 952221145 /nfs/dbraw/zinc/22/11/45/952221145.db2.gz BYABFFMQQQKTIW-VIFPVBQESA-N -1 1 385.457 1.563 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)C(C)(C)[C@H]1CCCCO1 ZINC001575154681 952228856 /nfs/dbraw/zinc/22/88/56/952228856.db2.gz ULEKUTBMPNBIMW-GXTWGEPZSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)C(C)(C)[C@H]1CCCCO1 ZINC001575154681 952228863 /nfs/dbraw/zinc/22/88/63/952228863.db2.gz ULEKUTBMPNBIMW-GXTWGEPZSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ccnn1C1CCC1 ZINC001575156573 952254633 /nfs/dbraw/zinc/25/46/33/952254633.db2.gz UZMSLBKYDRXBOM-LLVKDONJSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ccnn1C1CCC1 ZINC001575156573 952254641 /nfs/dbraw/zinc/25/46/41/952254641.db2.gz UZMSLBKYDRXBOM-LLVKDONJSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1scnc1C1CC1 ZINC001575156815 952258168 /nfs/dbraw/zinc/25/81/68/952258168.db2.gz VYDZYXMCCJSMOQ-SECBINFHSA-N -1 1 385.457 1.563 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1scnc1C1CC1 ZINC001575156815 952258172 /nfs/dbraw/zinc/25/81/72/952258172.db2.gz VYDZYXMCCJSMOQ-SECBINFHSA-N -1 1 385.457 1.563 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H]1COc2ccccc21 ZINC001575158553 952273598 /nfs/dbraw/zinc/27/35/98/952273598.db2.gz WGYCUVWSIBYAPF-YPMHNXCESA-N -1 1 380.412 1.092 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1COc2ccccc21 ZINC001575158553 952273604 /nfs/dbraw/zinc/27/36/04/952273604.db2.gz WGYCUVWSIBYAPF-YPMHNXCESA-N -1 1 380.412 1.092 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CC[C@H]1CC(C)(C)CO1 ZINC001575159027 952274773 /nfs/dbraw/zinc/27/47/73/952274773.db2.gz YCNUIVHWNVUUCF-OLZOCXBDSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CC[C@H]1CC(C)(C)CO1 ZINC001575159027 952274778 /nfs/dbraw/zinc/27/47/78/952274778.db2.gz YCNUIVHWNVUUCF-OLZOCXBDSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CC[C@@H]1CC(C)(C)CO1 ZINC001575159030 952275109 /nfs/dbraw/zinc/27/51/09/952275109.db2.gz YCNUIVHWNVUUCF-QWHCGFSZSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CC[C@@H]1CC(C)(C)CO1 ZINC001575159030 952275116 /nfs/dbraw/zinc/27/51/16/952275116.db2.gz YCNUIVHWNVUUCF-QWHCGFSZSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1ocnc1C(F)F ZINC001575164315 952292119 /nfs/dbraw/zinc/29/21/19/952292119.db2.gz CVTXETQMQIDWGV-ZETCQYMHSA-N -1 1 379.331 1.155 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1ocnc1C(F)F ZINC001575164315 952292126 /nfs/dbraw/zinc/29/21/26/952292126.db2.gz CVTXETQMQIDWGV-ZETCQYMHSA-N -1 1 379.331 1.155 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)Cc1ccon1 ZINC001575164619 952295061 /nfs/dbraw/zinc/29/50/61/952295061.db2.gz GIUMTYLOBAGBLH-ZETCQYMHSA-N -1 1 382.837 1.466 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)Cc1ccon1 ZINC001575164619 952295069 /nfs/dbraw/zinc/29/50/69/952295069.db2.gz GIUMTYLOBAGBLH-ZETCQYMHSA-N -1 1 382.837 1.466 20 0 GDADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)C1CC1 ZINC001575174933 952381356 /nfs/dbraw/zinc/38/13/56/952381356.db2.gz UPIXKKYNAORMDP-HLBODDRNSA-N -1 1 382.472 1.790 20 0 GDADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)C1CC1 ZINC001575174933 952381359 /nfs/dbraw/zinc/38/13/59/952381359.db2.gz UPIXKKYNAORMDP-HLBODDRNSA-N -1 1 382.472 1.790 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ccc2c(c1)COC2 ZINC001575178758 952407581 /nfs/dbraw/zinc/40/75/81/952407581.db2.gz MNOLVAODUQTISA-NSHDSACASA-N -1 1 380.412 1.260 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ccc2c(c1)COC2 ZINC001575178758 952407584 /nfs/dbraw/zinc/40/75/84/952407584.db2.gz MNOLVAODUQTISA-NSHDSACASA-N -1 1 380.412 1.260 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cc(C(C)(C)C)on1 ZINC001575178868 952409243 /nfs/dbraw/zinc/40/92/43/952409243.db2.gz OJVGPYNXPNJOEN-SNVBAGLBSA-N -1 1 385.432 1.515 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cc(C(C)(C)C)on1 ZINC001575178868 952409245 /nfs/dbraw/zinc/40/92/45/952409245.db2.gz OJVGPYNXPNJOEN-SNVBAGLBSA-N -1 1 385.432 1.515 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1csc(C2CC2)n1 ZINC001575179437 952410516 /nfs/dbraw/zinc/41/05/16/952410516.db2.gz OSQCGXFSTQXPCL-VIFPVBQESA-N -1 1 385.457 1.563 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1csc(C2CC2)n1 ZINC001575179437 952410520 /nfs/dbraw/zinc/41/05/20/952410520.db2.gz OSQCGXFSTQXPCL-VIFPVBQESA-N -1 1 385.457 1.563 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cscc1Cl ZINC001575179849 952414680 /nfs/dbraw/zinc/41/46/80/952414680.db2.gz RAKBWQBDTVLHCE-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cscc1Cl ZINC001575179849 952414682 /nfs/dbraw/zinc/41/46/82/952414682.db2.gz RAKBWQBDTVLHCE-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)C[C@H]1CCOC1 ZINC001575180966 952421837 /nfs/dbraw/zinc/42/18/37/952421837.db2.gz YTRGQELMNNRHSQ-RKDXNWHRSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)C[C@H]1CCOC1 ZINC001575180966 952421842 /nfs/dbraw/zinc/42/18/42/952421842.db2.gz YTRGQELMNNRHSQ-RKDXNWHRSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@H](Cc1cccc(F)c1)C(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001575188051 952446494 /nfs/dbraw/zinc/44/64/94/952446494.db2.gz GVQCWYBMTVZBMV-GFCCVEGCSA-N -1 1 384.419 1.545 20 0 GDADMM C[C@H](Cc1cccc(F)c1)C(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001575188051 952446503 /nfs/dbraw/zinc/44/65/03/952446503.db2.gz GVQCWYBMTVZBMV-GFCCVEGCSA-N -1 1 384.419 1.545 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N(C)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575188601 952449208 /nfs/dbraw/zinc/44/92/08/952449208.db2.gz JYTATIMBZLMQMB-OLZOCXBDSA-N -1 1 382.428 1.166 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N(C)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575188601 952449212 /nfs/dbraw/zinc/44/92/12/952449212.db2.gz JYTATIMBZLMQMB-OLZOCXBDSA-N -1 1 382.428 1.166 20 0 GDADMM COC(=O)c1ccc(OC)c(F)c1NC(=O)c1cc(-c2nnn[n-]2)oc1C ZINC001571114302 952451978 /nfs/dbraw/zinc/45/19/78/952451978.db2.gz GFYUOXJGGVADJY-UHFFFAOYSA-N -1 1 375.316 1.955 20 0 GDADMM COC(=O)c1ccc(OC)c(F)c1NC(=O)c1cc(-c2nn[n-]n2)oc1C ZINC001571114302 952451983 /nfs/dbraw/zinc/45/19/83/952451983.db2.gz GFYUOXJGGVADJY-UHFFFAOYSA-N -1 1 375.316 1.955 20 0 GDADMM Cc1cc(NC(=O)c2cccc(F)c2-c2nnn[n-]2)cc(S(C)(=O)=O)c1 ZINC001571114563 952458328 /nfs/dbraw/zinc/45/83/28/952458328.db2.gz LBCLYCHMEXDNGT-UHFFFAOYSA-N -1 1 375.385 1.970 20 0 GDADMM Cc1cc(NC(=O)c2cccc(F)c2-c2nn[n-]n2)cc(S(C)(=O)=O)c1 ZINC001571114563 952458329 /nfs/dbraw/zinc/45/83/29/952458329.db2.gz LBCLYCHMEXDNGT-UHFFFAOYSA-N -1 1 375.385 1.970 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC1CC(CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575195421 952471987 /nfs/dbraw/zinc/47/19/87/952471987.db2.gz AYLKGXQQCNVZIJ-PNESKVBLSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC1CC(CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575195421 952471989 /nfs/dbraw/zinc/47/19/89/952471989.db2.gz AYLKGXQQCNVZIJ-PNESKVBLSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001575196607 952475479 /nfs/dbraw/zinc/47/54/79/952475479.db2.gz HSPKMPLGRBTSEW-BXUZGUMPSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001575196607 952475483 /nfs/dbraw/zinc/47/54/83/952475483.db2.gz HSPKMPLGRBTSEW-BXUZGUMPSA-N -1 1 382.428 1.435 20 0 GDADMM Cc1nsc(N[C@@H]2CCC[C@H](NC(=O)c3cnon3)C2)c1-c1nn[n-]n1 ZINC001571117704 952483568 /nfs/dbraw/zinc/48/35/68/952483568.db2.gz ONAYRZYYOXOPJO-DTWKUNHWSA-N -1 1 375.418 1.168 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575197726 952487388 /nfs/dbraw/zinc/48/73/88/952487388.db2.gz YWUGDRPMWJQHMJ-GFCCVEGCSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)s1)[C@@H](O)c1cccc(F)c1 ZINC001571119595 952493710 /nfs/dbraw/zinc/49/37/10/952493710.db2.gz DDFGBOMDSJNRFP-YMTOWFKASA-N -1 1 376.417 1.989 20 0 GDADMM CCOC(=O)c1[n-]c(NC(=O)c2cc(-c3nn[nH]n3)ccc2C)nc1Cl ZINC001571120811 952510265 /nfs/dbraw/zinc/51/02/65/952510265.db2.gz QWSUTCKXPDMOOK-UHFFFAOYSA-N -1 1 375.776 1.981 20 0 GDADMM Cc1nsc(N[C@@H]2CCCN(C(=O)c3cc(F)c[nH]3)C2)c1-c1nn[n-]n1 ZINC001571121320 952518934 /nfs/dbraw/zinc/51/89/34/952518934.db2.gz YIIZXKUHXHAVAV-SNVBAGLBSA-N -1 1 376.421 1.816 20 0 GDADMM CC[C@@H](F)C(=O)N1CCC([C@@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001571121584 952520360 /nfs/dbraw/zinc/52/03/60/952520360.db2.gz AACLIWFUFIGIQV-DGCLKSJQSA-N -1 1 376.440 1.752 20 0 GDADMM CC[C@@H](F)C(=O)N1CCC([C@@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001571121584 952520362 /nfs/dbraw/zinc/52/03/62/952520362.db2.gz AACLIWFUFIGIQV-DGCLKSJQSA-N -1 1 376.440 1.752 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575203406 952522627 /nfs/dbraw/zinc/52/26/27/952522627.db2.gz WCLMPRBUCJPYQD-AVGNSLFASA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575203406 952522630 /nfs/dbraw/zinc/52/26/30/952522630.db2.gz WCLMPRBUCJPYQD-AVGNSLFASA-N -1 1 382.428 1.435 20 0 GDADMM Cc1ncc(C(=O)N2CC[C@@H](Nc3snc(C)c3-c3nn[n-]n3)C2)s1 ZINC001571121972 952524079 /nfs/dbraw/zinc/52/40/79/952524079.db2.gz GQZLXHJGCHEDNA-SECBINFHSA-N -1 1 376.471 1.723 20 0 GDADMM C[C@@H](Cn1cncn1)NS(=O)(=O)c1c2ccccc2sc1-c1nn[n-]n1 ZINC001575207937 952537617 /nfs/dbraw/zinc/53/76/17/952537617.db2.gz WPKJWGSGUZPMPQ-VIFPVBQESA-N -1 1 390.454 1.040 20 0 GDADMM Cc1nsc(N[C@H]2CCN(C(=O)C[C@@](C)(O)C3CC3)C2)c1-c1nn[n-]n1 ZINC001571127534 952556914 /nfs/dbraw/zinc/55/69/14/952556914.db2.gz HFLAMHSAHSNSFA-MEDUHNTESA-N -1 1 377.474 1.196 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575214477 952565044 /nfs/dbraw/zinc/56/50/44/952565044.db2.gz LERBMVKIQVNSGS-SNVBAGLBSA-N -1 1 380.403 1.599 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575214477 952565050 /nfs/dbraw/zinc/56/50/50/952565050.db2.gz LERBMVKIQVNSGS-SNVBAGLBSA-N -1 1 380.403 1.599 20 0 GDADMM O=C(C[C@H]1CCCC1(F)F)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571130042 952578800 /nfs/dbraw/zinc/57/88/00/952578800.db2.gz NSZQUGQUTVDTCD-MNOVXSKESA-N -1 1 378.387 1.495 20 0 GDADMM O=C(C[C@H]1CCCC1(F)F)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571130042 952578803 /nfs/dbraw/zinc/57/88/03/952578803.db2.gz NSZQUGQUTVDTCD-MNOVXSKESA-N -1 1 378.387 1.495 20 0 GDADMM O=C([C@H]1CC1(F)F)N1CCCCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571130230 952579572 /nfs/dbraw/zinc/57/95/72/952579572.db2.gz QHCRJKHALOTQBY-GHMZBOCLSA-N -1 1 378.387 1.495 20 0 GDADMM O=C([C@H]1CC1(F)F)N1CCCCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571130230 952579574 /nfs/dbraw/zinc/57/95/74/952579574.db2.gz QHCRJKHALOTQBY-GHMZBOCLSA-N -1 1 378.387 1.495 20 0 GDADMM CN(C(=O)[C@H]1CC1(F)F)C1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571130249 952579662 /nfs/dbraw/zinc/57/96/62/952579662.db2.gz QWMWQQMDXZOFOV-VQXHTEKXSA-N -1 1 378.387 1.493 20 0 GDADMM CN(C(=O)[C@H]1CC1(F)F)C1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571130249 952579665 /nfs/dbraw/zinc/57/96/65/952579665.db2.gz QWMWQQMDXZOFOV-VQXHTEKXSA-N -1 1 378.387 1.493 20 0 GDADMM O=C(C1CC(F)(F)C1)N1CCC(CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571130742 952581794 /nfs/dbraw/zinc/58/17/94/952581794.db2.gz WDAYWZYJXRESJA-UHFFFAOYSA-N -1 1 378.387 1.353 20 0 GDADMM O=C(C1CC(F)(F)C1)N1CCC(CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571130742 952581798 /nfs/dbraw/zinc/58/17/98/952581798.db2.gz WDAYWZYJXRESJA-UHFFFAOYSA-N -1 1 378.387 1.353 20 0 GDADMM Cc1ccc(C(=O)N(C)[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)c(C)c1 ZINC001571134024 952584519 /nfs/dbraw/zinc/58/45/19/952584519.db2.gz BNMVJSMTZVAICG-CQSZACIVSA-N -1 1 378.440 1.624 20 0 GDADMM Cc1ccc(C(=O)N(C)[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)c(C)c1 ZINC001571134024 952584527 /nfs/dbraw/zinc/58/45/27/952584527.db2.gz BNMVJSMTZVAICG-CQSZACIVSA-N -1 1 378.440 1.624 20 0 GDADMM Cc1ccc(C)c(C(=O)N2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C[C@H]2C)c1 ZINC001571134262 952588500 /nfs/dbraw/zinc/58/85/00/952588500.db2.gz GPCMVOPBIWGVJF-ZIAGYGMSSA-N -1 1 378.440 1.989 20 0 GDADMM Cc1ccc(C)c(C(=O)N2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C[C@H]2C)c1 ZINC001571134262 952588506 /nfs/dbraw/zinc/58/85/06/952588506.db2.gz GPCMVOPBIWGVJF-ZIAGYGMSSA-N -1 1 378.440 1.989 20 0 GDADMM CN(Cc1ccccc1CNC(=O)C1CCC1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571134447 952591125 /nfs/dbraw/zinc/59/11/25/952591125.db2.gz GOCASNUEVXOITG-UHFFFAOYSA-N -1 1 378.440 1.709 20 0 GDADMM CN(Cc1ccccc1CNC(=O)C1CCC1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571134447 952591127 /nfs/dbraw/zinc/59/11/27/952591127.db2.gz GOCASNUEVXOITG-UHFFFAOYSA-N -1 1 378.440 1.709 20 0 GDADMM CCc1ccc(C(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C[C@H]2C)cc1 ZINC001571134560 952591773 /nfs/dbraw/zinc/59/17/73/952591773.db2.gz GUZYXTVACBEYHO-IUODEOHRSA-N -1 1 378.440 1.934 20 0 GDADMM CCc1ccc(C(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C[C@H]2C)cc1 ZINC001571134560 952591778 /nfs/dbraw/zinc/59/17/78/952591778.db2.gz GUZYXTVACBEYHO-IUODEOHRSA-N -1 1 378.440 1.934 20 0 GDADMM Cc1ccccc1[C@@H](C)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571134508 952592251 /nfs/dbraw/zinc/59/22/51/952592251.db2.gz JMZRMCZNUDOOOZ-KGLIPLIRSA-N -1 1 378.440 1.464 20 0 GDADMM Cc1ccccc1[C@@H](C)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571134508 952592253 /nfs/dbraw/zinc/59/22/53/952592253.db2.gz JMZRMCZNUDOOOZ-KGLIPLIRSA-N -1 1 378.440 1.464 20 0 GDADMM Cc1ccccc1[C@H](C)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571134509 952592285 /nfs/dbraw/zinc/59/22/85/952592285.db2.gz JMZRMCZNUDOOOZ-UONOGXRCSA-N -1 1 378.440 1.464 20 0 GDADMM Cc1ccccc1[C@H](C)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571134509 952592286 /nfs/dbraw/zinc/59/22/86/952592286.db2.gz JMZRMCZNUDOOOZ-UONOGXRCSA-N -1 1 378.440 1.464 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)CC2)cc1 ZINC001571134795 952594714 /nfs/dbraw/zinc/59/47/14/952594714.db2.gz MYVRKPGOUTYDKG-HNNXBMFYSA-N -1 1 378.440 1.754 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)CC2)cc1 ZINC001571134795 952594719 /nfs/dbraw/zinc/59/47/19/952594719.db2.gz MYVRKPGOUTYDKG-HNNXBMFYSA-N -1 1 378.440 1.754 20 0 GDADMM CC(C)C[C@@H](C(=O)Nc1n[nH]cc1-c1nnn[n-]1)N(C)C(=O)OC(C)(C)C ZINC001571134916 952597131 /nfs/dbraw/zinc/59/71/31/952597131.db2.gz NHBPUBWFTGHPFI-NSHDSACASA-N -1 1 378.437 1.810 20 0 GDADMM CC(C)C[C@@H](C(=O)Nc1n[nH]cc1-c1nn[n-]n1)N(C)C(=O)OC(C)(C)C ZINC001571134916 952597135 /nfs/dbraw/zinc/59/71/35/952597135.db2.gz NHBPUBWFTGHPFI-NSHDSACASA-N -1 1 378.437 1.810 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)c(C)c1 ZINC001571135173 952600894 /nfs/dbraw/zinc/60/08/94/952600894.db2.gz QOWIENXYLRBUTI-CQSZACIVSA-N -1 1 378.440 1.591 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)c(C)c1 ZINC001571135173 952600896 /nfs/dbraw/zinc/60/08/96/952600896.db2.gz QOWIENXYLRBUTI-CQSZACIVSA-N -1 1 378.440 1.591 20 0 GDADMM Cc1ccccc1CC(=O)N1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571135220 952601783 /nfs/dbraw/zinc/60/17/83/952601783.db2.gz TYGZXFWTHCQAHH-AWEZNQCLSA-N -1 1 378.440 1.468 20 0 GDADMM Cc1ccccc1CC(=O)N1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571135220 952601788 /nfs/dbraw/zinc/60/17/88/952601788.db2.gz TYGZXFWTHCQAHH-AWEZNQCLSA-N -1 1 378.440 1.468 20 0 GDADMM Cc1ccccc1CC(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571135319 952602345 /nfs/dbraw/zinc/60/23/45/952602345.db2.gz VPAICKYYDNNYLH-OAHLLOKOSA-N -1 1 378.440 1.611 20 0 GDADMM Cc1ccccc1CC(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571135319 952602352 /nfs/dbraw/zinc/60/23/52/952602352.db2.gz VPAICKYYDNNYLH-OAHLLOKOSA-N -1 1 378.440 1.611 20 0 GDADMM Cc1ccc(C(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C[C@@H]2C)c(C)c1 ZINC001571135344 952602547 /nfs/dbraw/zinc/60/25/47/952602547.db2.gz VZVYJFZNIGOSPT-UONOGXRCSA-N -1 1 378.440 1.989 20 0 GDADMM Cc1ccc(C(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C[C@@H]2C)c(C)c1 ZINC001571135344 952602553 /nfs/dbraw/zinc/60/25/53/952602553.db2.gz VZVYJFZNIGOSPT-UONOGXRCSA-N -1 1 378.440 1.989 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)C2C=CC=CC=C2)C1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571135599 952606045 /nfs/dbraw/zinc/60/60/45/952606045.db2.gz YNSFNHRNFVQIST-AWEZNQCLSA-N -1 1 378.440 1.240 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)C2C=CC=CC=C2)C1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571135599 952606048 /nfs/dbraw/zinc/60/60/48/952606048.db2.gz YNSFNHRNFVQIST-AWEZNQCLSA-N -1 1 378.440 1.240 20 0 GDADMM C[C@@H]1CC[C@H](NC(=O)C2C=CC=CC=C2)CN1c1nccnc1-c1nnn[n-]1 ZINC001571135547 952606096 /nfs/dbraw/zinc/60/60/96/952606096.db2.gz WJJJRWJZUKBVAO-HIFRSBDPSA-N -1 1 378.440 1.429 20 0 GDADMM C[C@@H]1CC[C@H](NC(=O)C2C=CC=CC=C2)CN1c1nccnc1-c1nn[n-]n1 ZINC001571135547 952606097 /nfs/dbraw/zinc/60/60/97/952606097.db2.gz WJJJRWJZUKBVAO-HIFRSBDPSA-N -1 1 378.440 1.429 20 0 GDADMM CNC(=O)Nc1ccc(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)cc1 ZINC001571140480 952626720 /nfs/dbraw/zinc/62/67/20/952626720.db2.gz AOUZXBFXNWSRJV-UHFFFAOYSA-N -1 1 378.805 1.980 20 0 GDADMM O=C(N[C@@H]1CCCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1)c1ccc[nH]1 ZINC001571141034 952630589 /nfs/dbraw/zinc/63/05/89/952630589.db2.gz FXIOHGIMMRWPEG-MRVPVSSYSA-N -1 1 378.849 1.704 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571141672 952634704 /nfs/dbraw/zinc/63/47/04/952634704.db2.gz KGQMLXUOBVHFHB-QMMMGPOBSA-N -1 1 378.849 1.940 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571141672 952634710 /nfs/dbraw/zinc/63/47/10/952634710.db2.gz KGQMLXUOBVHFHB-QMMMGPOBSA-N -1 1 378.849 1.940 20 0 GDADMM Cc1ccc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)cc1N1CCOCC1 ZINC001571142411 952642227 /nfs/dbraw/zinc/64/22/27/952642227.db2.gz URGAYXSQTNOXMJ-UHFFFAOYSA-N -1 1 379.424 1.337 20 0 GDADMM Cc1ccc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)cc1N1CCOCC1 ZINC001571142411 952642233 /nfs/dbraw/zinc/64/22/33/952642233.db2.gz URGAYXSQTNOXMJ-UHFFFAOYSA-N -1 1 379.424 1.337 20 0 GDADMM Cc1ncccc1CC(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001571146627 952651273 /nfs/dbraw/zinc/65/12/73/952651273.db2.gz KIBGZLLPLYFMJB-GXTWGEPZSA-N -1 1 379.428 1.004 20 0 GDADMM Cc1ncccc1CC(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001571146627 952651279 /nfs/dbraw/zinc/65/12/79/952651279.db2.gz KIBGZLLPLYFMJB-GXTWGEPZSA-N -1 1 379.428 1.004 20 0 GDADMM C[C@@H](NC(=O)c1ccccn1)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571146803 952652929 /nfs/dbraw/zinc/65/29/29/952652929.db2.gz CORHWXMGWTWHPC-CHWSQXEVSA-N -1 1 379.428 1.087 20 0 GDADMM C[C@@H](NC(=O)c1ccccn1)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571146803 952652931 /nfs/dbraw/zinc/65/29/31/952652931.db2.gz CORHWXMGWTWHPC-CHWSQXEVSA-N -1 1 379.428 1.087 20 0 GDADMM CCc1ccnc(C(=O)NC2CC(CNc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571146922 952654762 /nfs/dbraw/zinc/65/47/62/952654762.db2.gz CXCJNVOZXJHCJA-UHFFFAOYSA-N -1 1 379.428 1.235 20 0 GDADMM CCc1ccnc(C(=O)NC2CC(CNc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571146922 952654766 /nfs/dbraw/zinc/65/47/66/952654766.db2.gz CXCJNVOZXJHCJA-UHFFFAOYSA-N -1 1 379.428 1.235 20 0 GDADMM O=C(N[C@H]1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1)c1cccnc1 ZINC001571147096 952656500 /nfs/dbraw/zinc/65/65/00/952656500.db2.gz SVEMVAUBEJYUGX-JSGCOSHPSA-N -1 1 379.428 1.452 20 0 GDADMM O=C(N[C@H]1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001571147096 952656504 /nfs/dbraw/zinc/65/65/04/952656504.db2.gz SVEMVAUBEJYUGX-JSGCOSHPSA-N -1 1 379.428 1.452 20 0 GDADMM O=C(c1cc2n(c1)CCCC2)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571147022 952657033 /nfs/dbraw/zinc/65/70/33/952657033.db2.gz QHHNYSGHQKQDPB-CYBMUJFWSA-N -1 1 379.428 1.121 20 0 GDADMM O=C(c1cc2n(c1)CCCC2)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571147022 952657037 /nfs/dbraw/zinc/65/70/37/952657037.db2.gz QHHNYSGHQKQDPB-CYBMUJFWSA-N -1 1 379.428 1.121 20 0 GDADMM CCc1nc(NC[C@@H]2CCN(C(=O)c3ccccn3)C2)cc(-c2nnn[n-]2)n1 ZINC001571147966 952664304 /nfs/dbraw/zinc/66/43/04/952664304.db2.gz SEEZBCWTDUVHAO-LBPRGKRZSA-N -1 1 379.428 1.188 20 0 GDADMM CCc1nc(NC[C@@H]2CCN(C(=O)c3ccccn3)C2)cc(-c2nn[n-]n2)n1 ZINC001571147966 952664309 /nfs/dbraw/zinc/66/43/09/952664309.db2.gz SEEZBCWTDUVHAO-LBPRGKRZSA-N -1 1 379.428 1.188 20 0 GDADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CCN(C(=O)c2ccncc2)CC1 ZINC001571147851 952664498 /nfs/dbraw/zinc/66/44/98/952664498.db2.gz RDWMGLVDGQGCTK-LBPRGKRZSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CCN(C(=O)c2ccncc2)CC1 ZINC001571147851 952664502 /nfs/dbraw/zinc/66/45/02/952664502.db2.gz RDWMGLVDGQGCTK-LBPRGKRZSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@@H]1CCN(C(=O)CC(C)(F)F)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571154879 952690351 /nfs/dbraw/zinc/69/03/51/952690351.db2.gz DBPLRRRDRUKMKB-GHMZBOCLSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H]1CCN(C(=O)CC(C)(F)F)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571154879 952690355 /nfs/dbraw/zinc/69/03/55/952690355.db2.gz DBPLRRRDRUKMKB-GHMZBOCLSA-N -1 1 380.403 1.599 20 0 GDADMM CCOc1ccccc1C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571155090 952692390 /nfs/dbraw/zinc/69/23/90/952692390.db2.gz HNFPFSCNQRRICK-GFCCVEGCSA-N -1 1 380.412 1.064 20 0 GDADMM CCOc1ccccc1C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571155090 952692392 /nfs/dbraw/zinc/69/23/92/952692392.db2.gz HNFPFSCNQRRICK-GFCCVEGCSA-N -1 1 380.412 1.064 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CC[C@H](CNC(=O)c3ccccn3)C2)n1 ZINC001571156032 952700612 /nfs/dbraw/zinc/70/06/12/952700612.db2.gz BBGKEMSIBYIXGI-QWHCGFSZSA-N -1 1 379.428 1.371 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CC[C@H](CNC(=O)c3ccccn3)C2)n1 ZINC001571156032 952700615 /nfs/dbraw/zinc/70/06/15/952700615.db2.gz BBGKEMSIBYIXGI-QWHCGFSZSA-N -1 1 379.428 1.371 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)cc(C)n1 ZINC001571156632 952702306 /nfs/dbraw/zinc/70/23/06/952702306.db2.gz FMSFWMZPCVMARS-CQSZACIVSA-N -1 1 379.428 1.385 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)cc(C)n1 ZINC001571156632 952702314 /nfs/dbraw/zinc/70/23/14/952702314.db2.gz FMSFWMZPCVMARS-CQSZACIVSA-N -1 1 379.428 1.385 20 0 GDADMM Cc1ccncc1C(=O)NC1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571156695 952703900 /nfs/dbraw/zinc/70/39/00/952703900.db2.gz HCNVQVJPGKWFOQ-UHFFFAOYSA-N -1 1 379.428 1.513 20 0 GDADMM Cc1ccncc1C(=O)NC1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571156695 952703904 /nfs/dbraw/zinc/70/39/04/952703904.db2.gz HCNVQVJPGKWFOQ-UHFFFAOYSA-N -1 1 379.428 1.513 20 0 GDADMM Cc1cc(C)nc(C(=O)N2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C[C@H]2C)c1 ZINC001571156727 952703988 /nfs/dbraw/zinc/70/39/88/952703988.db2.gz ICOKIYMQHAWCPX-CHWSQXEVSA-N -1 1 379.428 1.384 20 0 GDADMM Cc1cc(C)nc(C(=O)N2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C[C@H]2C)c1 ZINC001571156727 952703992 /nfs/dbraw/zinc/70/39/92/952703992.db2.gz ICOKIYMQHAWCPX-CHWSQXEVSA-N -1 1 379.428 1.384 20 0 GDADMM Cc1cncc(C(=O)N2CCC(C)(Nc3ccc(-c4nnn[n-]4)nn3)CC2)c1 ZINC001571156667 952704036 /nfs/dbraw/zinc/70/40/36/952704036.db2.gz GNRYQPFYTHGTCM-UHFFFAOYSA-N -1 1 379.428 1.467 20 0 GDADMM Cc1cncc(C(=O)N2CCC(C)(Nc3ccc(-c4nn[n-]n4)nn3)CC2)c1 ZINC001571156667 952704040 /nfs/dbraw/zinc/70/40/40/952704040.db2.gz GNRYQPFYTHGTCM-UHFFFAOYSA-N -1 1 379.428 1.467 20 0 GDADMM Cc1cc(C)nc(C(=O)N(C)C2CC(Nc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571156817 952705999 /nfs/dbraw/zinc/70/59/99/952705999.db2.gz KNURXENWFSAXAM-UHFFFAOYSA-N -1 1 379.428 1.384 20 0 GDADMM Cc1cc(C)nc(C(=O)N(C)C2CC(Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571156817 952706003 /nfs/dbraw/zinc/70/60/03/952706003.db2.gz KNURXENWFSAXAM-UHFFFAOYSA-N -1 1 379.428 1.384 20 0 GDADMM Cc1cncc(C(=O)N2CCCC[C@H]2CNc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001571156827 952706263 /nfs/dbraw/zinc/70/62/63/952706263.db2.gz KVGCSINKVVSIPV-AWEZNQCLSA-N -1 1 379.428 1.467 20 0 GDADMM Cc1cncc(C(=O)N2CCCC[C@H]2CNc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001571156827 952706269 /nfs/dbraw/zinc/70/62/69/952706269.db2.gz KVGCSINKVVSIPV-AWEZNQCLSA-N -1 1 379.428 1.467 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)CC2)cn1 ZINC001571157125 952706986 /nfs/dbraw/zinc/70/69/86/952706986.db2.gz MSEAVVRLDGWWEO-HDJSIYSDSA-N -1 1 379.428 1.513 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)CC2)cn1 ZINC001571157125 952706989 /nfs/dbraw/zinc/70/69/89/952706989.db2.gz MSEAVVRLDGWWEO-HDJSIYSDSA-N -1 1 379.428 1.513 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001571158122 952710460 /nfs/dbraw/zinc/71/04/60/952710460.db2.gz RIRPBVSJCKKXET-OLZOCXBDSA-N -1 1 379.428 1.177 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001571158122 952710463 /nfs/dbraw/zinc/71/04/63/952710463.db2.gz RIRPBVSJCKKXET-OLZOCXBDSA-N -1 1 379.428 1.177 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2occ3c2CCC3)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571158326 952710936 /nfs/dbraw/zinc/71/09/36/952710936.db2.gz HGOBCQXBRZITSK-MFKMUULPSA-N -1 1 380.412 1.136 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2occ3c2CCC3)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571158326 952710946 /nfs/dbraw/zinc/71/09/46/952710946.db2.gz HGOBCQXBRZITSK-MFKMUULPSA-N -1 1 380.412 1.136 20 0 GDADMM Cc1cc(C(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C(C)(C)C2)ccn1 ZINC001571158942 952716291 /nfs/dbraw/zinc/71/62/91/952716291.db2.gz UZKHSUDOMKCIGS-AWEZNQCLSA-N -1 1 379.428 1.323 20 0 GDADMM Cc1cc(C(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C(C)(C)C2)ccn1 ZINC001571158942 952716303 /nfs/dbraw/zinc/71/63/03/952716303.db2.gz UZKHSUDOMKCIGS-AWEZNQCLSA-N -1 1 379.428 1.323 20 0 GDADMM COc1cccc(C(=O)NCC2CC(Nc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571159330 952718497 /nfs/dbraw/zinc/71/84/97/952718497.db2.gz UQNPXHVAKMTYFU-UHFFFAOYSA-N -1 1 380.412 1.286 20 0 GDADMM COc1cccc(C(=O)NCC2CC(Nc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571159330 952718501 /nfs/dbraw/zinc/71/85/01/952718501.db2.gz UQNPXHVAKMTYFU-UHFFFAOYSA-N -1 1 380.412 1.286 20 0 GDADMM Cc1cocc1C(=O)N1CC[C@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001571160032 952723141 /nfs/dbraw/zinc/72/31/41/952723141.db2.gz BJHUYIXRUREAEJ-SFHVURJKSA-N -1 1 380.412 1.301 20 0 GDADMM Cc1cocc1C(=O)N1CC[C@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001571160032 952723143 /nfs/dbraw/zinc/72/31/43/952723143.db2.gz BJHUYIXRUREAEJ-SFHVURJKSA-N -1 1 380.412 1.301 20 0 GDADMM Cc1cnc(C(=O)N2CC[C@@H](N(C)c3ccnc(-c4nn[n-]n4)n3)C2)cc1C ZINC001571160331 952724773 /nfs/dbraw/zinc/72/47/73/952724773.db2.gz YPLATSBCQASZJA-CYBMUJFWSA-N -1 1 379.428 1.019 20 0 GDADMM Cc1ccncc1C(=O)N1CCC[C@@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001571160373 952726008 /nfs/dbraw/zinc/72/60/08/952726008.db2.gz ZRVRHRWOTPLDPS-CYBMUJFWSA-N -1 1 379.428 1.101 20 0 GDADMM Cc1ccncc1C(=O)N1CCC[C@@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001571160373 952726011 /nfs/dbraw/zinc/72/60/11/952726011.db2.gz ZRVRHRWOTPLDPS-CYBMUJFWSA-N -1 1 379.428 1.101 20 0 GDADMM CC1(C(=O)N2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3CN2c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571166270 952760069 /nfs/dbraw/zinc/76/00/69/952760069.db2.gz LDLSXUITXYQGJY-XFMPKHEZSA-N -1 1 380.456 1.130 20 0 GDADMM CC1(C(=O)N2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3CN2c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571166270 952760071 /nfs/dbraw/zinc/76/00/71/952760071.db2.gz LDLSXUITXYQGJY-XFMPKHEZSA-N -1 1 380.456 1.130 20 0 GDADMM Cc1cc(-c2nn[n-]n2)c(=O)n(CC(=O)NC(=O)Nc2cccc(C)c2C)c1 ZINC001571170028 952782082 /nfs/dbraw/zinc/78/20/82/952782082.db2.gz CQDSRASKBHMFBW-UHFFFAOYSA-N -1 1 381.396 1.302 20 0 GDADMM Cc1cc(C(=O)N[C@H]2C[C@H](Nc3snc(Cl)c3-c3nnn[n-]3)C2)no1 ZINC001571171944 952798984 /nfs/dbraw/zinc/79/89/84/952798984.db2.gz JILLEWZJIHAWPC-LJGSYFOKSA-N -1 1 380.821 1.646 20 0 GDADMM Cc1cc(C(=O)N[C@H]2C[C@H](Nc3snc(Cl)c3-c3nn[n-]n3)C2)no1 ZINC001571171944 952798987 /nfs/dbraw/zinc/79/89/87/952798987.db2.gz JILLEWZJIHAWPC-LJGSYFOKSA-N -1 1 380.821 1.646 20 0 GDADMM C[C@@]1(NC(=O)c2cocn2)CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571172069 952801410 /nfs/dbraw/zinc/80/14/10/952801410.db2.gz LMAUJRXLHZFZLW-CYBMUJFWSA-N -1 1 380.821 1.363 20 0 GDADMM C[C@@]1(NC(=O)c2cocn2)CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571172069 952801416 /nfs/dbraw/zinc/80/14/16/952801416.db2.gz LMAUJRXLHZFZLW-CYBMUJFWSA-N -1 1 380.821 1.363 20 0 GDADMM Cc1nc(C(=O)N[C@H]2C[C@H](Nc3snc(Cl)c3-c3nnn[n-]3)C2)co1 ZINC001571172346 952805751 /nfs/dbraw/zinc/80/57/51/952805751.db2.gz SUCFIUKFMWUCNL-LJGSYFOKSA-N -1 1 380.821 1.646 20 0 GDADMM Cc1nc(C(=O)N[C@H]2C[C@H](Nc3snc(Cl)c3-c3nn[n-]n3)C2)co1 ZINC001571172346 952805755 /nfs/dbraw/zinc/80/57/55/952805755.db2.gz SUCFIUKFMWUCNL-LJGSYFOKSA-N -1 1 380.821 1.646 20 0 GDADMM O=C(N[C@@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C12CCC2)[C@H]1C[C@H]2C[C@H]2C1 ZINC001571172864 952810522 /nfs/dbraw/zinc/81/05/22/952810522.db2.gz ZTIXGCDQODXPBU-MBJXGIAVSA-N -1 1 380.456 1.542 20 0 GDADMM O=C(N[C@@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C12CCC2)[C@H]1C[C@H]2C[C@H]2C1 ZINC001571172864 952810528 /nfs/dbraw/zinc/81/05/28/952810528.db2.gz ZTIXGCDQODXPBU-MBJXGIAVSA-N -1 1 380.456 1.542 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C)n1cccc1 ZINC001571181392 952864194 /nfs/dbraw/zinc/86/41/94/952864194.db2.gz WAZVBOBQELBSQN-JSGCOSHPSA-N -1 1 381.444 1.050 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C)n1cccc1 ZINC001571181392 952864201 /nfs/dbraw/zinc/86/42/01/952864201.db2.gz WAZVBOBQELBSQN-JSGCOSHPSA-N -1 1 381.444 1.050 20 0 GDADMM CCc1nc(N[C@H]2CCN(C(=O)c3cc[nH]c3C)[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571183431 952877674 /nfs/dbraw/zinc/87/76/74/952877674.db2.gz ACGMNDWAYLXWAO-AAEUAGOBSA-N -1 1 381.444 1.571 20 0 GDADMM CCc1nc(N[C@H]2CCN(C(=O)c3cc[nH]c3C)[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571183431 952877677 /nfs/dbraw/zinc/87/76/77/952877677.db2.gz ACGMNDWAYLXWAO-AAEUAGOBSA-N -1 1 381.444 1.571 20 0 GDADMM CCCc1[nH]ccc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@H]1C ZINC001571184089 952887854 /nfs/dbraw/zinc/88/78/54/952887854.db2.gz QCSWVZKUHKKZMQ-DGCLKSJQSA-N -1 1 381.444 1.074 20 0 GDADMM CCCc1[nH]ccc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001571184088 952888270 /nfs/dbraw/zinc/88/82/70/952888270.db2.gz QCSWVZKUHKKZMQ-AAEUAGOBSA-N -1 1 381.444 1.074 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)[C@@H](C)n2cccc2)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571184375 952891774 /nfs/dbraw/zinc/89/17/74/952891774.db2.gz XTRHNBLJIDKFBX-VNHYZAJKSA-N -1 1 381.444 1.193 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)[C@@H](C)n2cccc2)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571184375 952891784 /nfs/dbraw/zinc/89/17/84/952891784.db2.gz XTRHNBLJIDKFBX-VNHYZAJKSA-N -1 1 381.444 1.193 20 0 GDADMM CCc1nc(NCC2CC(NC(=O)Cc3ccc[nH]3)C2)cc(-c2nnn[n-]2)n1 ZINC001571184382 952892177 /nfs/dbraw/zinc/89/21/77/952892177.db2.gz YALJQEZACJSSDC-UHFFFAOYSA-N -1 1 381.444 1.097 20 0 GDADMM CCc1nc(NCC2CC(NC(=O)Cc3ccc[nH]3)C2)cc(-c2nn[n-]n2)n1 ZINC001571184382 952892179 /nfs/dbraw/zinc/89/21/79/952892179.db2.gz YALJQEZACJSSDC-UHFFFAOYSA-N -1 1 381.444 1.097 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571184400 952893936 /nfs/dbraw/zinc/89/39/36/952893936.db2.gz YKHQAFIGCSSQOW-SFHVURJKSA-N -1 1 381.444 1.438 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571184400 952893945 /nfs/dbraw/zinc/89/39/45/952893945.db2.gz YKHQAFIGCSSQOW-SFHVURJKSA-N -1 1 381.444 1.438 20 0 GDADMM Cc1c(C(=O)N2CCC[C@@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)ccn1C ZINC001571184604 952895811 /nfs/dbraw/zinc/89/58/11/952895811.db2.gz AYGVWRKWVQETDJ-CYBMUJFWSA-N -1 1 381.444 1.329 20 0 GDADMM Cc1c(C(=O)N2CCC[C@@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)ccn1C ZINC001571184604 952895815 /nfs/dbraw/zinc/89/58/15/952895815.db2.gz AYGVWRKWVQETDJ-CYBMUJFWSA-N -1 1 381.444 1.329 20 0 GDADMM Cc1c[nH]cc1C(=O)N[C@@H]1CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571185839 952904019 /nfs/dbraw/zinc/90/40/19/952904019.db2.gz QOARDKSVYLYOEE-GXTWGEPZSA-N -1 1 381.444 1.694 20 0 GDADMM Cc1c[nH]cc1C(=O)N[C@@H]1CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571185839 952904023 /nfs/dbraw/zinc/90/40/23/952904023.db2.gz QOARDKSVYLYOEE-GXTWGEPZSA-N -1 1 381.444 1.694 20 0 GDADMM Cc1[nH]ccc1C(=O)N[C@@H]1CC[C@H](C)N(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571186288 952906359 /nfs/dbraw/zinc/90/63/59/952906359.db2.gz VLPQKQZUSLWRMO-WCQYABFASA-N -1 1 381.444 1.389 20 0 GDADMM Cc1[nH]ccc1C(=O)N[C@@H]1CC[C@H](C)N(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571186288 952906365 /nfs/dbraw/zinc/90/63/65/952906365.db2.gz VLPQKQZUSLWRMO-WCQYABFASA-N -1 1 381.444 1.389 20 0 GDADMM Cc1cc(C(=O)NC[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)c(C)[nH]1 ZINC001571187677 952908622 /nfs/dbraw/zinc/90/86/22/952908622.db2.gz ANUNVCZBIHHGSF-CYBMUJFWSA-N -1 1 381.444 1.248 20 0 GDADMM Cc1cc(C(=O)NC[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)c(C)[nH]1 ZINC001571187677 952908627 /nfs/dbraw/zinc/90/86/27/952908627.db2.gz ANUNVCZBIHHGSF-CYBMUJFWSA-N -1 1 381.444 1.248 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@@H]2CC[C@H](C)N(c3cncc(-c4nnn[n-]4)n3)C2)[nH]1 ZINC001571187692 952908634 /nfs/dbraw/zinc/90/86/34/952908634.db2.gz AQTGORAYRPWYAE-QWHCGFSZSA-N -1 1 381.444 1.389 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@@H]2CC[C@H](C)N(c3cncc(-c4nn[n-]n4)n3)C2)[nH]1 ZINC001571187692 952908636 /nfs/dbraw/zinc/90/86/36/952908636.db2.gz AQTGORAYRPWYAE-QWHCGFSZSA-N -1 1 381.444 1.389 20 0 GDADMM Cc1cc(C)c(C(=O)N2CCC(C)(Nc3cncc(-c4nnn[n-]4)n3)CC2)[nH]1 ZINC001571188391 952914647 /nfs/dbraw/zinc/91/46/47/952914647.db2.gz KDLVPGLLFIISRQ-UHFFFAOYSA-N -1 1 381.444 1.708 20 0 GDADMM Cc1cc(C)c(C(=O)N2CCC(C)(Nc3cncc(-c4nn[n-]n4)n3)CC2)[nH]1 ZINC001571188391 952914650 /nfs/dbraw/zinc/91/46/50/952914650.db2.gz KDLVPGLLFIISRQ-UHFFFAOYSA-N -1 1 381.444 1.708 20 0 GDADMM O=C(C1CC1)N1C[C@@H](CNc2nccnc2-c2nnn[n-]2)[C@@H](C(F)(F)F)C1 ZINC001571194256 952959890 /nfs/dbraw/zinc/95/98/90/952959890.db2.gz JNFXUDIGQFJYQD-ZJUUUORDSA-N -1 1 382.350 1.116 20 0 GDADMM O=C(C1CC1)N1C[C@@H](CNc2nccnc2-c2nn[n-]n2)[C@@H](C(F)(F)F)C1 ZINC001571194256 952959893 /nfs/dbraw/zinc/95/98/93/952959893.db2.gz JNFXUDIGQFJYQD-ZJUUUORDSA-N -1 1 382.350 1.116 20 0 GDADMM Cc1ccc(F)c(C(=O)N2CC[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571195707 952977409 /nfs/dbraw/zinc/97/74/09/952977409.db2.gz DXAVBPVOTFBNAU-GFCCVEGCSA-N -1 1 382.403 1.678 20 0 GDADMM Cc1ccc(F)c(C(=O)N2CC[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571195707 952977414 /nfs/dbraw/zinc/97/74/14/952977414.db2.gz DXAVBPVOTFBNAU-GFCCVEGCSA-N -1 1 382.403 1.678 20 0 GDADMM CN(C(=O)Cc1ccc(F)cc1)C1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571195842 952978983 /nfs/dbraw/zinc/97/89/83/952978983.db2.gz GHQMKXBVTOJJQV-UHFFFAOYSA-N -1 1 382.403 1.440 20 0 GDADMM CN(C(=O)Cc1ccc(F)cc1)C1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571195842 952978991 /nfs/dbraw/zinc/97/89/91/952978991.db2.gz GHQMKXBVTOJJQV-UHFFFAOYSA-N -1 1 382.403 1.440 20 0 GDADMM O=C(CCc1ccc(F)cc1)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571196925 952985223 /nfs/dbraw/zinc/98/52/23/952985223.db2.gz PZVCUESLFCHTDR-CQSZACIVSA-N -1 1 382.403 1.441 20 0 GDADMM O=C(CCc1ccc(F)cc1)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571196925 952985227 /nfs/dbraw/zinc/98/52/27/952985227.db2.gz PZVCUESLFCHTDR-CQSZACIVSA-N -1 1 382.403 1.441 20 0 GDADMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)c2ccccc2F)C1 ZINC001571196938 952985768 /nfs/dbraw/zinc/98/57/68/952985768.db2.gz QEONBIWTSXVUKD-RYUDHWBXSA-N -1 1 382.403 1.759 20 0 GDADMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)c2ccccc2F)C1 ZINC001571196938 952985776 /nfs/dbraw/zinc/98/57/76/952985776.db2.gz QEONBIWTSXVUKD-RYUDHWBXSA-N -1 1 382.403 1.759 20 0 GDADMM Cc1ccc(C(=O)N(C)[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)cc1F ZINC001571197198 952987649 /nfs/dbraw/zinc/98/76/49/952987649.db2.gz UAUVAKCEYJKWAA-CYBMUJFWSA-N -1 1 382.403 1.455 20 0 GDADMM Cc1ccc(C(=O)N(C)[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)cc1F ZINC001571197198 952987652 /nfs/dbraw/zinc/98/76/52/952987652.db2.gz UAUVAKCEYJKWAA-CYBMUJFWSA-N -1 1 382.403 1.455 20 0 GDADMM C[C@H]1CN(C(=O)c2cccc(F)c2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571197303 952988423 /nfs/dbraw/zinc/98/84/23/952988423.db2.gz VXEDDKLYEJBQNF-AAEUAGOBSA-N -1 1 382.403 1.616 20 0 GDADMM C[C@H]1CN(C(=O)c2cccc(F)c2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571197303 952988426 /nfs/dbraw/zinc/98/84/26/952988426.db2.gz VXEDDKLYEJBQNF-AAEUAGOBSA-N -1 1 382.403 1.616 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccco1 ZINC001571199955 953004958 /nfs/dbraw/zinc/00/49/58/953004958.db2.gz FAMKGDDASDCJTE-OLZOCXBDSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccco1 ZINC001571199955 953004962 /nfs/dbraw/zinc/00/49/62/953004962.db2.gz FAMKGDDASDCJTE-OLZOCXBDSA-N -1 1 382.428 1.846 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@H]([C@H](C)Nc3cncc(-c4nnn[n-]4)n3)C2)co1 ZINC001571200504 953009759 /nfs/dbraw/zinc/00/97/59/953009759.db2.gz CQHXJVMRIJJGBS-STQMWFEESA-N -1 1 382.428 1.911 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@H]([C@H](C)Nc3cncc(-c4nn[n-]n4)n3)C2)co1 ZINC001571200504 953009760 /nfs/dbraw/zinc/00/97/60/953009760.db2.gz CQHXJVMRIJJGBS-STQMWFEESA-N -1 1 382.428 1.911 20 0 GDADMM O=C(Cc1ccccc1F)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571200744 953010580 /nfs/dbraw/zinc/01/05/80/953010580.db2.gz LFOKDMPPQZICGQ-UHFFFAOYSA-N -1 1 382.403 1.441 20 0 GDADMM O=C(Cc1ccccc1F)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571200744 953010583 /nfs/dbraw/zinc/01/05/83/953010583.db2.gz LFOKDMPPQZICGQ-UHFFFAOYSA-N -1 1 382.403 1.441 20 0 GDADMM Cc1cocc1C(=O)N1C[C@@H](C)[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571200568 953010959 /nfs/dbraw/zinc/01/09/59/953010959.db2.gz DWBOEVVCDBDKSC-DGCLKSJQSA-N -1 1 382.428 1.768 20 0 GDADMM Cc1cocc1C(=O)N1C[C@@H](C)[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571200568 953010960 /nfs/dbraw/zinc/01/09/60/953010960.db2.gz DWBOEVVCDBDKSC-DGCLKSJQSA-N -1 1 382.428 1.768 20 0 GDADMM Cc1cocc1C(=O)N[C@@H]1CC[C@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571201068 953013636 /nfs/dbraw/zinc/01/36/36/953013636.db2.gz JETLNTYMDMUDSQ-QWHCGFSZSA-N -1 1 382.428 1.877 20 0 GDADMM Cc1cocc1C(=O)N[C@@H]1CC[C@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571201068 953013638 /nfs/dbraw/zinc/01/36/38/953013638.db2.gz JETLNTYMDMUDSQ-QWHCGFSZSA-N -1 1 382.428 1.877 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)[C@H]2C)c(C)o1 ZINC001571202187 953022691 /nfs/dbraw/zinc/02/26/91/953022691.db2.gz RODXUOOTIJMKJT-FZMZJTMJSA-N -1 1 382.428 1.654 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)[C@H]2C)c(C)o1 ZINC001571202187 953022693 /nfs/dbraw/zinc/02/26/93/953022693.db2.gz RODXUOOTIJMKJT-FZMZJTMJSA-N -1 1 382.428 1.654 20 0 GDADMM Cc1nc[nH]c1C(=O)N1CCCC[C@@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001571206054 953046222 /nfs/dbraw/zinc/04/62/22/953046222.db2.gz CUVJJUDOGVOZTM-GFCCVEGCSA-N -1 1 382.432 1.185 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1)c1ccsc1 ZINC001571210543 953072397 /nfs/dbraw/zinc/07/23/97/953072397.db2.gz RWODGFRDSRRVRG-WXHSDQCUSA-N -1 1 382.453 1.311 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1)c1ccsc1 ZINC001571210543 953072400 /nfs/dbraw/zinc/07/24/00/953072400.db2.gz RWODGFRDSRRVRG-WXHSDQCUSA-N -1 1 382.453 1.311 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cc2c(s1)CCC2 ZINC001571210619 953073122 /nfs/dbraw/zinc/07/31/22/953073122.db2.gz UQTIFJPPOGOAAI-XYPYZODXSA-N -1 1 382.453 1.580 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cc2c(s1)CCC2 ZINC001571210619 953073124 /nfs/dbraw/zinc/07/31/24/953073124.db2.gz UQTIFJPPOGOAAI-XYPYZODXSA-N -1 1 382.453 1.580 20 0 GDADMM CC1(C(=O)N2C[C@@H]3CCC[C@@H](Nc4ccc(-c5nnn[n-]5)nn4)[C@@H]3C2)CCC1 ZINC001571211565 953078638 /nfs/dbraw/zinc/07/86/38/953078638.db2.gz BVOILQOHMBRQIQ-BFHYXJOUSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(C(=O)N2C[C@@H]3CCC[C@@H](Nc4ccc(-c5nn[n-]n5)nn4)[C@@H]3C2)CCC1 ZINC001571211565 953078642 /nfs/dbraw/zinc/07/86/42/953078642.db2.gz BVOILQOHMBRQIQ-BFHYXJOUSA-N -1 1 382.472 1.886 20 0 GDADMM CN(C[C@H]1CCN(C(=O)C[C@@H]2C[C@H]2C2CC2)C1)c1cncc(-c2nnn[n-]2)n1 ZINC001571211726 953080339 /nfs/dbraw/zinc/08/03/39/953080339.db2.gz DKJCSPIMMDTLLZ-SNPRPXQTSA-N -1 1 382.472 1.378 20 0 GDADMM CN(C[C@H]1CCN(C(=O)C[C@@H]2C[C@H]2C2CC2)C1)c1cncc(-c2nn[n-]n2)n1 ZINC001571211726 953080341 /nfs/dbraw/zinc/08/03/41/953080341.db2.gz DKJCSPIMMDTLLZ-SNPRPXQTSA-N -1 1 382.472 1.378 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@]3(NC(=O)[C@H]4C[C@@H]4C)CCC[C@@H]23)n1 ZINC001571212455 953087966 /nfs/dbraw/zinc/08/79/66/953087966.db2.gz LXCVKRGMLHJLOI-XPRARXKLSA-N -1 1 382.472 1.493 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@]3(NC(=O)[C@H]4C[C@@H]4C)CCC[C@@H]23)n1 ZINC001571212455 953087971 /nfs/dbraw/zinc/08/79/71/953087971.db2.gz LXCVKRGMLHJLOI-XPRARXKLSA-N -1 1 382.472 1.493 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@]3(CCN(C(=O)[C@H](C)C4CC4)C3)C2)n1 ZINC001571213251 953093940 /nfs/dbraw/zinc/09/39/40/953093940.db2.gz QKLUGGYSKDRJLG-BFUOFWGJSA-N -1 1 382.472 1.440 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@]3(CCN(C(=O)[C@H](C)C4CC4)C3)C2)n1 ZINC001571213251 953093942 /nfs/dbraw/zinc/09/39/42/953093942.db2.gz QKLUGGYSKDRJLG-BFUOFWGJSA-N -1 1 382.472 1.440 20 0 GDADMM C[C@@]1(CNc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)[C@@H]2CC23CCCC3)C1 ZINC001571214038 953098864 /nfs/dbraw/zinc/09/88/64/953098864.db2.gz VNPLZVPDGBFNEF-UGSOOPFHSA-N -1 1 382.472 1.309 20 0 GDADMM CN(C(=O)[C@@H]1CCCC2(CC2)C1)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571214090 953099214 /nfs/dbraw/zinc/09/92/14/953099214.db2.gz WOSMIPCHWOBVNI-ZIAGYGMSSA-N -1 1 382.472 1.664 20 0 GDADMM CC1(C)[C@H](NC(=O)CC2CC2)[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)[C@@H]21 ZINC001571214054 953099857 /nfs/dbraw/zinc/09/98/57/953099857.db2.gz VWWXBPWTTRWDQF-VUCTXSBTSA-N -1 1 382.472 1.566 20 0 GDADMM CC1(C)[C@H](NC(=O)CC2CC2)[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)[C@@H]21 ZINC001571214054 953099862 /nfs/dbraw/zinc/09/98/62/953099862.db2.gz VWWXBPWTTRWDQF-VUCTXSBTSA-N -1 1 382.472 1.566 20 0 GDADMM CC1(C)CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001571214323 953101874 /nfs/dbraw/zinc/10/18/74/953101874.db2.gz XEYKZQIKYKKAHB-MELADBBJSA-N -1 1 382.472 1.424 20 0 GDADMM COCC(=O)Nc1ccc(Nc2ccc(C(=O)OC)nc2-c2nnn[n-]2)cc1 ZINC001571216729 953103422 /nfs/dbraw/zinc/10/34/22/953103422.db2.gz ADRJPUWUPVBOTA-UHFFFAOYSA-N -1 1 383.368 1.377 20 0 GDADMM COCC(=O)Nc1ccc(Nc2ccc(C(=O)OC)nc2-c2nn[n-]n2)cc1 ZINC001571216729 953103427 /nfs/dbraw/zinc/10/34/27/953103427.db2.gz ADRJPUWUPVBOTA-UHFFFAOYSA-N -1 1 383.368 1.377 20 0 GDADMM O=C(NC[C@@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1)[C@]12C[C@H]1CCCC2 ZINC001571216869 953104700 /nfs/dbraw/zinc/10/47/00/953104700.db2.gz BHHFFFXMVLYJLB-BIENJYKASA-N -1 1 382.472 1.712 20 0 GDADMM O=C(NC[C@@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1)[C@]12C[C@H]1CCCC2 ZINC001571216869 953104701 /nfs/dbraw/zinc/10/47/01/953104701.db2.gz BHHFFFXMVLYJLB-BIENJYKASA-N -1 1 382.472 1.712 20 0 GDADMM O=C(N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)[C@@H]1CCCC2(CC2)C1 ZINC001571218432 953115280 /nfs/dbraw/zinc/11/52/80/953115280.db2.gz NLLZJWYSEOUQCJ-ZIAGYGMSSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)[C@@H]1CCCC2(CC2)C1 ZINC001571218432 953115284 /nfs/dbraw/zinc/11/52/84/953115284.db2.gz NLLZJWYSEOUQCJ-ZIAGYGMSSA-N -1 1 382.472 1.712 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(F)cn2)CC[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571218696 953117947 /nfs/dbraw/zinc/11/79/47/953117947.db2.gz YVECWNVRMZREAO-PWSUYJOCSA-N -1 1 383.391 1.154 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(F)cn2)CC[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571218696 953117949 /nfs/dbraw/zinc/11/79/49/953117949.db2.gz YVECWNVRMZREAO-PWSUYJOCSA-N -1 1 383.391 1.154 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)CC1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001571219138 953123237 /nfs/dbraw/zinc/12/32/37/953123237.db2.gz WENHVJGOTHAABP-JLQSVIJNSA-N -1 1 382.472 1.790 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)CC1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001571219138 953123239 /nfs/dbraw/zinc/12/32/39/953123239.db2.gz WENHVJGOTHAABP-JLQSVIJNSA-N -1 1 382.472 1.790 20 0 GDADMM CC(C)c1oncc1C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571222198 953132286 /nfs/dbraw/zinc/13/22/86/953132286.db2.gz FCEFILBMGVBTMJ-XYPYZODXSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1oncc1C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571222198 953132289 /nfs/dbraw/zinc/13/22/89/953132289.db2.gz FCEFILBMGVBTMJ-XYPYZODXSA-N -1 1 383.416 1.389 20 0 GDADMM CC[C@@H]1CN(C(=O)c2cc(C)no2)CC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571222393 953133948 /nfs/dbraw/zinc/13/39/48/953133948.db2.gz HPARBTQBOSRBFM-VXGBXAGGSA-N -1 1 383.416 1.306 20 0 GDADMM CC[C@@H]1CN(C(=O)c2cc(C)no2)CC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571222393 953133952 /nfs/dbraw/zinc/13/39/52/953133952.db2.gz HPARBTQBOSRBFM-VXGBXAGGSA-N -1 1 383.416 1.306 20 0 GDADMM CCc1noc(C)c1C(=O)N1C[C@H](C)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571222721 953137535 /nfs/dbraw/zinc/13/75/35/953137535.db2.gz KFUBLIZQUOHDAP-TVQRCGJNSA-N -1 1 383.416 1.088 20 0 GDADMM CCc1noc(C)c1C(=O)N1C[C@H](C)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571222721 953137538 /nfs/dbraw/zinc/13/75/38/953137538.db2.gz KFUBLIZQUOHDAP-TVQRCGJNSA-N -1 1 383.416 1.088 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)c2coc(C)n2)CCN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001571223374 953144001 /nfs/dbraw/zinc/14/40/01/953144001.db2.gz QHJMKOFFQFPCIN-SMDDNHRTSA-N -1 1 383.416 1.049 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)c2coc(C)n2)CCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001571223374 953144003 /nfs/dbraw/zinc/14/40/03/953144003.db2.gz QHJMKOFFQFPCIN-SMDDNHRTSA-N -1 1 383.416 1.049 20 0 GDADMM CCc1nc(NC[C@H]2CCN(C(=O)c3conc3C)C2)cc(-c2nnn[n-]2)n1 ZINC001571223614 953146104 /nfs/dbraw/zinc/14/61/04/953146104.db2.gz XPXADDXTUVAARD-LLVKDONJSA-N -1 1 383.416 1.090 20 0 GDADMM CCc1nc(NC[C@H]2CCN(C(=O)c3conc3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571223614 953146110 /nfs/dbraw/zinc/14/61/10/953146110.db2.gz XPXADDXTUVAARD-LLVKDONJSA-N -1 1 383.416 1.090 20 0 GDADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCCCN1C(=O)Cc1cnoc1 ZINC001571224164 953149383 /nfs/dbraw/zinc/14/93/83/953149383.db2.gz ZUSFEIQQAFGRDS-FZMZJTMJSA-N -1 1 383.416 1.069 20 0 GDADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCCCN1C(=O)Cc1cnoc1 ZINC001571224164 953149385 /nfs/dbraw/zinc/14/93/85/953149385.db2.gz ZUSFEIQQAFGRDS-FZMZJTMJSA-N -1 1 383.416 1.069 20 0 GDADMM Cc1noc(C)c1C(=O)N[C@@H]1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571224894 953151320 /nfs/dbraw/zinc/15/13/20/953151320.db2.gz GAGGYLQLILNPIZ-NWDGAFQWSA-N -1 1 383.416 1.272 20 0 GDADMM Cc1noc(C)c1C(=O)N[C@@H]1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571224894 953151322 /nfs/dbraw/zinc/15/13/22/953151322.db2.gz GAGGYLQLILNPIZ-NWDGAFQWSA-N -1 1 383.416 1.272 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H]([C@@H](C)Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)on1 ZINC001571224936 953152211 /nfs/dbraw/zinc/15/22/11/953152211.db2.gz GZHGNKSGNDKVQA-VXGBXAGGSA-N -1 1 383.416 1.224 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H]([C@@H](C)Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)on1 ZINC001571224936 953152212 /nfs/dbraw/zinc/15/22/12/953152212.db2.gz GZHGNKSGNDKVQA-VXGBXAGGSA-N -1 1 383.416 1.224 20 0 GDADMM Cc1noc(C)c1[C@@H](C)C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571226914 953157635 /nfs/dbraw/zinc/15/76/35/953157635.db2.gz WUCSPXVQSVINHE-SKDRFNHKSA-N -1 1 383.416 1.078 20 0 GDADMM Cc1noc(C)c1[C@@H](C)C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571226914 953157636 /nfs/dbraw/zinc/15/76/36/953157636.db2.gz WUCSPXVQSVINHE-SKDRFNHKSA-N -1 1 383.416 1.078 20 0 GDADMM Cc1nsc(NC[C@@H]2CCN(C(=O)C3CC(F)(F)C3)C2)c1-c1nn[n-]n1 ZINC001571229802 953172239 /nfs/dbraw/zinc/17/22/39/953172239.db2.gz OCKRPSPNHGSWJV-VIFPVBQESA-N -1 1 383.428 1.937 20 0 GDADMM O=C(C[C@@H]1CCCO1)N[C@H]1C[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571234653 953204485 /nfs/dbraw/zinc/20/44/85/953204485.db2.gz FHCJMNKSCXRVPQ-CIUDSAMLSA-N -1 1 383.865 1.605 20 0 GDADMM C[C@@H]1CN(C(=O)Cc2ccsc2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571244548 953264729 /nfs/dbraw/zinc/26/47/29/953264729.db2.gz AMLDKBUEXGFBIF-DGCLKSJQSA-N -1 1 384.469 1.467 20 0 GDADMM C[C@@H]1CN(C(=O)Cc2ccsc2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571244548 953264730 /nfs/dbraw/zinc/26/47/30/953264730.db2.gz AMLDKBUEXGFBIF-DGCLKSJQSA-N -1 1 384.469 1.467 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H](CN(C)c3ccnc(-c4nn[n-]n4)n3)C2)s1 ZINC001571244572 953265175 /nfs/dbraw/zinc/26/51/75/953265175.db2.gz BHJGDGHKUVXZDB-LBPRGKRZSA-N -1 1 384.469 1.625 20 0 GDADMM Cc1csc(C(=O)NC2CC(CNc3nc(C)cc(-c4nnn[n-]4)n3)C2)c1 ZINC001571244605 953265186 /nfs/dbraw/zinc/26/51/86/953265186.db2.gz CDEGWWXCFHOPLU-UHFFFAOYSA-N -1 1 384.469 1.956 20 0 GDADMM Cc1csc(C(=O)NC2CC(CNc3nc(C)cc(-c4nn[n-]n4)n3)C2)c1 ZINC001571244605 953265187 /nfs/dbraw/zinc/26/51/87/953265187.db2.gz CDEGWWXCFHOPLU-UHFFFAOYSA-N -1 1 384.469 1.956 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](NC(=O)Cc3cccs3)C2)n1 ZINC001571244774 953266361 /nfs/dbraw/zinc/26/63/61/953266361.db2.gz HWNCNZCMRJSYHX-LBPRGKRZSA-N -1 1 384.469 1.354 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](NC(=O)Cc3cccs3)C2)n1 ZINC001571244774 953266363 /nfs/dbraw/zinc/26/63/63/953266363.db2.gz HWNCNZCMRJSYHX-LBPRGKRZSA-N -1 1 384.469 1.354 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)Cc2cccs2)CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571244829 953267660 /nfs/dbraw/zinc/26/76/60/953267660.db2.gz JWFDSSZTRCOCDF-GXTWGEPZSA-N -1 1 384.469 1.434 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)Cc2cccs2)CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571244829 953267663 /nfs/dbraw/zinc/26/76/63/953267663.db2.gz JWFDSSZTRCOCDF-GXTWGEPZSA-N -1 1 384.469 1.434 20 0 GDADMM C[C@H]1C[C@H](NC(=O)Cc2cccs2)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571245198 953271493 /nfs/dbraw/zinc/27/14/93/953271493.db2.gz FGIDZMUMJVULPQ-NWDGAFQWSA-N -1 1 384.469 1.434 20 0 GDADMM C[C@@H]1CN(C(=O)CCc2ccsc2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571245496 953273960 /nfs/dbraw/zinc/27/39/60/953273960.db2.gz SPLNIXMPBAXOMY-RISCZKNCSA-N -1 1 384.469 1.610 20 0 GDADMM C[C@@H]1CN(C(=O)CCc2ccsc2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571245496 953273964 /nfs/dbraw/zinc/27/39/64/953273964.db2.gz SPLNIXMPBAXOMY-RISCZKNCSA-N -1 1 384.469 1.610 20 0 GDADMM Cc1cc(C(=O)NC[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)c(C)s1 ZINC001571245548 953274588 /nfs/dbraw/zinc/27/45/88/953274588.db2.gz VFJRKNVRSLIDGY-GFCCVEGCSA-N -1 1 384.469 1.591 20 0 GDADMM Cc1cc(C(=O)NC[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)c(C)s1 ZINC001571245548 953274591 /nfs/dbraw/zinc/27/45/91/953274591.db2.gz VFJRKNVRSLIDGY-GFCCVEGCSA-N -1 1 384.469 1.591 20 0 GDADMM C[C@@H]1C[C@@H](NC(=O)Cc2ccsc2)CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571246212 953280877 /nfs/dbraw/zinc/28/08/77/953280877.db2.gz WBFFTDBRUVKMPE-YPMHNXCESA-N -1 1 384.469 1.434 20 0 GDADMM C[C@@H]1C[C@@H](NC(=O)Cc2ccsc2)CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571246212 953280880 /nfs/dbraw/zinc/28/08/80/953280880.db2.gz WBFFTDBRUVKMPE-YPMHNXCESA-N -1 1 384.469 1.434 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccsc1 ZINC001571246302 953281545 /nfs/dbraw/zinc/28/15/45/953281545.db2.gz XSIYGCIDRLPEEI-AAEUAGOBSA-N -1 1 384.469 1.347 20 0 GDADMM Cc1nsc(NC[C@H]2CCCN(C(=O)c3ccncc3)C2)c1-c1nn[n-]n1 ZINC001571247861 953287436 /nfs/dbraw/zinc/28/74/36/953287436.db2.gz GPRQDFWUOJKXHD-GFCCVEGCSA-N -1 1 384.469 1.991 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CC[C@H](NC(=O)C3=COCCC3)C2)n1 ZINC001571248145 953289627 /nfs/dbraw/zinc/28/96/27/953289627.db2.gz FEKSOYDRETUGPN-JSGCOSHPSA-N -1 1 384.444 1.356 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CC[C@H](NC(=O)C3=COCCC3)C2)n1 ZINC001571248145 953289633 /nfs/dbraw/zinc/28/96/33/953289633.db2.gz FEKSOYDRETUGPN-JSGCOSHPSA-N -1 1 384.444 1.356 20 0 GDADMM Cc1sccc1CC(=O)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571248623 953295440 /nfs/dbraw/zinc/29/54/40/953295440.db2.gz WPQTVYCFKQDWCA-CYBMUJFWSA-N -1 1 384.469 1.672 20 0 GDADMM Cc1sccc1CC(=O)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571248623 953295441 /nfs/dbraw/zinc/29/54/41/953295441.db2.gz WPQTVYCFKQDWCA-CYBMUJFWSA-N -1 1 384.469 1.672 20 0 GDADMM CC(C)(C)C1CC(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571249056 953300977 /nfs/dbraw/zinc/30/09/77/953300977.db2.gz BZFQCKRSKYLENH-JXQTWKCFSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@]1(NC(=O)[C@H]2CCCCC2(C)C)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571249181 953301473 /nfs/dbraw/zinc/30/14/73/953301473.db2.gz FNCWRXOOKAQNFM-BFUOFWGJSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@]1(NC(=O)[C@H]2CCCCC2(C)C)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571249181 953301478 /nfs/dbraw/zinc/30/14/78/953301478.db2.gz FNCWRXOOKAQNFM-BFUOFWGJSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1nccnc1-c1nnn[n-]1)C1CCCC1 ZINC001571251594 953318875 /nfs/dbraw/zinc/31/88/75/953318875.db2.gz ZTJZCLXKBOGTHB-DZGCQCFKSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1nccnc1-c1nn[n-]n1)C1CCCC1 ZINC001571251594 953318880 /nfs/dbraw/zinc/31/88/80/953318880.db2.gz ZTJZCLXKBOGTHB-DZGCQCFKSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CC[C@@](C)(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)C1(C)C ZINC001571251965 953321165 /nfs/dbraw/zinc/32/11/65/953321165.db2.gz CVRIKXNCHHTSAG-JMERFSKESA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H]1CC[C@@](C)(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)C1(C)C ZINC001571251965 953321170 /nfs/dbraw/zinc/32/11/70/953321170.db2.gz CVRIKXNCHHTSAG-JMERFSKESA-N -1 1 384.488 1.814 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](CNC(=O)C3CC(C)(C)C3)C2)n1 ZINC001571252004 953321768 /nfs/dbraw/zinc/32/17/68/953321768.db2.gz DXMRTRJGXYBZKJ-CYBMUJFWSA-N -1 1 384.488 1.734 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](CNC(=O)C3CC(C)(C)C3)C2)n1 ZINC001571252004 953321770 /nfs/dbraw/zinc/32/17/70/953321770.db2.gz DXMRTRJGXYBZKJ-CYBMUJFWSA-N -1 1 384.488 1.734 20 0 GDADMM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)NC[C@@H](c1ccco1)N1CCCCC1)C2 ZINC001594739105 953360953 /nfs/dbraw/zinc/36/09/53/953360953.db2.gz OTSUECACHLXAQT-DOXZYTNZSA-N -1 1 377.441 1.549 20 0 GDADMM CCOC(=O)[C@@]1(F)CN(c2c3ccccc3nnc2-c2nnn[n-]2)C[C@@H]1CC ZINC001571256097 953363553 /nfs/dbraw/zinc/36/35/53/953363553.db2.gz 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/nfs/dbraw/zinc/24/56/28/532245628.db2.gz WBDXXOLXEHCKRA-UONOGXRCSA-N -1 1 376.837 1.542 20 0 GDADMM C[C@]1(C[C@@H]2CCCN2C(=O)c2ccc(Br)cc2[O-])NC(=O)NC1=O ZINC000287936263 532252601 /nfs/dbraw/zinc/25/26/01/532252601.db2.gz RFVJSZWNSIUQSS-MGPLVRAMSA-N -1 1 396.241 1.748 20 0 GDADMM COC(=O)c1sc(S(=O)(=O)N[C@@H](C)CCC(=O)[O-])c(C(=O)OC)c1C ZINC000275052085 532258103 /nfs/dbraw/zinc/25/81/03/532258103.db2.gz SNMTWGAELAMSQU-ZETCQYMHSA-N -1 1 393.439 1.161 20 0 GDADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc3ccc(Br)cn3n2)o1 ZINC000431452430 532266152 /nfs/dbraw/zinc/26/61/52/532266152.db2.gz WTRSQSGNBCUBTC-UHFFFAOYSA-N -1 1 399.226 1.850 20 0 GDADMM Cc1nc(S(=O)(=O)[N-]CC[C@H](O)c2ccccc2)c(Br)n1C ZINC000288134129 532266542 /nfs/dbraw/zinc/26/65/42/532266542.db2.gz MVOGXHXGXOPULU-LBPRGKRZSA-N -1 1 388.287 1.893 20 0 GDADMM Cn1cnc(S(=O)(=O)[N-]Cc2ccncc2OC[C@@H]2CCOC2)c1Cl ZINC000288268278 532277195 /nfs/dbraw/zinc/27/71/95/532277195.db2.gz DDGNVBKZDSJLNV-LLVKDONJSA-N -1 1 386.861 1.362 20 0 GDADMM COC(=O)c1ncsc1S(=O)(=O)N[C@H](C(=O)[O-])c1cccc(C)c1C ZINC000275281623 532283279 /nfs/dbraw/zinc/28/32/79/532283279.db2.gz RXUZXDDVBWYEGH-NSHDSACASA-N -1 1 384.435 1.651 20 0 GDADMM Cc1nc([C@@H](C)NS(=O)(=O)c2ccc(C(=O)[O-])cc2Br)n[nH]1 ZINC000392431814 532299455 /nfs/dbraw/zinc/29/94/55/532299455.db2.gz XTLCOLFZUJXCMI-ZCFIWIBFSA-N -1 1 389.231 1.613 20 0 GDADMM CCO[C@H]1C[C@]([N-]S(=O)(=O)c2c(C)nn(C)c2Cl)(C(=O)OC)C1(C)C ZINC000275988968 532317075 /nfs/dbraw/zinc/31/70/75/532317075.db2.gz PXXCPPJXYBPHRL-BONVTDFDSA-N -1 1 393.893 1.407 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CO)C2CCCC2)c(Br)o1 ZINC000289432775 532323923 /nfs/dbraw/zinc/32/39/23/532323923.db2.gz DIONLUOXIUXTBE-VIFPVBQESA-N -1 1 396.259 1.658 20 0 GDADMM C[C@H](C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)S(C)(=O)=O ZINC000735546366 598833474 /nfs/dbraw/zinc/83/34/74/598833474.db2.gz BCJIAZQABVCFHX-SNVBAGLBSA-N -1 1 391.478 1.645 20 0 GDADMM Cc1ccc(C[C@@H]2CCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737335788 598836775 /nfs/dbraw/zinc/83/67/75/598836775.db2.gz WYCCALWDSYWCCT-HNNXBMFYSA-N -1 1 384.465 1.966 20 0 GDADMM Cc1ccc(C[C@@H]2CCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737335788 598836776 /nfs/dbraw/zinc/83/67/76/598836776.db2.gz WYCCALWDSYWCCT-HNNXBMFYSA-N -1 1 384.465 1.966 20 0 GDADMM COc1ccc2c(c1)CCN2S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000737118151 598843667 /nfs/dbraw/zinc/84/36/67/598843667.db2.gz AZGHPPFTCDQNAI-UHFFFAOYSA-N -1 1 375.385 1.766 20 0 GDADMM COc1ccc2c(c1)CCN2S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000737118151 598843668 /nfs/dbraw/zinc/84/36/68/598843668.db2.gz AZGHPPFTCDQNAI-UHFFFAOYSA-N -1 1 375.385 1.766 20 0 GDADMM Cc1oc(NC(=O)[C@H](C)N2CCO[C@@H](C(F)(F)F)C2)c(-c2nn[n-]n2)c1C ZINC000737552361 598865546 /nfs/dbraw/zinc/86/55/46/598865546.db2.gz NQTJFGRKMYCOGO-WCBMZHEXSA-N -1 1 388.350 1.667 20 0 GDADMM Cc1noc(C)c1[C@H](C)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000737541240 598865887 /nfs/dbraw/zinc/86/58/87/598865887.db2.gz ZGXLPZHVDILDLX-JTQLQIEISA-N -1 1 385.428 1.999 20 0 GDADMM CCN(C)C(=O)c1cccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736509755 598875321 /nfs/dbraw/zinc/87/53/21/598875321.db2.gz LGNLKRIDXIDZRY-UHFFFAOYSA-N -1 1 388.409 1.121 20 0 GDADMM CCN(C)C(=O)c1cccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736509755 598875322 /nfs/dbraw/zinc/87/53/22/598875322.db2.gz LGNLKRIDXIDZRY-UHFFFAOYSA-N -1 1 388.409 1.121 20 0 GDADMM C[C@H](NC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)C(=O)N(C)C ZINC000736119260 598888349 /nfs/dbraw/zinc/88/83/49/598888349.db2.gz RWPBNLAOXLLIPT-NSHDSACASA-N -1 1 399.480 1.871 20 0 GDADMM CC[C@@H](C)[C@@](C)(O)CNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000736335163 598932129 /nfs/dbraw/zinc/93/21/29/598932129.db2.gz XWBVKAITHWWEMT-MGNBDDOMSA-N -1 1 376.461 1.430 20 0 GDADMM Cc1nc(CN2CCN(c3c4ccccc4nnc3-c3nnn[n-]3)CC2)cs1 ZINC000737479105 598935001 /nfs/dbraw/zinc/93/50/01/598935001.db2.gz ZILZHJRTWAMVGO-UHFFFAOYSA-N -1 1 393.480 1.897 20 0 GDADMM Cc1nc(CN2CCN(c3c4ccccc4nnc3-c3nn[n-]n3)CC2)cs1 ZINC000737479105 598935003 /nfs/dbraw/zinc/93/50/03/598935003.db2.gz ZILZHJRTWAMVGO-UHFFFAOYSA-N -1 1 393.480 1.897 20 0 GDADMM O=C1c2ccccc2C(=O)N1CCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000738312665 598961980 /nfs/dbraw/zinc/96/19/80/598961980.db2.gz BWULDIHBLGJPTQ-UHFFFAOYSA-N -1 1 386.375 1.518 20 0 GDADMM O=C1c2ccccc2C(=O)N1CCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000738312665 598961982 /nfs/dbraw/zinc/96/19/82/598961982.db2.gz BWULDIHBLGJPTQ-UHFFFAOYSA-N -1 1 386.375 1.518 20 0 GDADMM CC(C)C(=O)NC[C@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000735684509 598964722 /nfs/dbraw/zinc/96/47/22/598964722.db2.gz DWGMALQDHRBGGM-CYBMUJFWSA-N -1 1 380.456 1.799 20 0 GDADMM CC(C)C(=O)NC[C@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000735684509 598964724 /nfs/dbraw/zinc/96/47/24/598964724.db2.gz DWGMALQDHRBGGM-CYBMUJFWSA-N -1 1 380.456 1.799 20 0 GDADMM O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738192405 598985830 /nfs/dbraw/zinc/98/58/30/598985830.db2.gz ZWRCOPNHWVOJAB-CYBMUJFWSA-N -1 1 393.407 1.423 20 0 GDADMM O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738192405 598985832 /nfs/dbraw/zinc/98/58/32/598985832.db2.gz ZWRCOPNHWVOJAB-CYBMUJFWSA-N -1 1 393.407 1.423 20 0 GDADMM COc1ccc(Cn2nccc2NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737100486 598991053 /nfs/dbraw/zinc/99/10/53/598991053.db2.gz YPIADFQVNJPQGH-UHFFFAOYSA-N -1 1 376.380 1.767 20 0 GDADMM COc1ccc(Cn2nccc2NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737100486 598991055 /nfs/dbraw/zinc/99/10/55/598991055.db2.gz YPIADFQVNJPQGH-UHFFFAOYSA-N -1 1 376.380 1.767 20 0 GDADMM CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736325949 598991869 /nfs/dbraw/zinc/99/18/69/598991869.db2.gz LDEOUPALJSWXOP-LBPRGKRZSA-N -1 1 379.424 1.720 20 0 GDADMM CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736325949 598991870 /nfs/dbraw/zinc/99/18/70/598991870.db2.gz LDEOUPALJSWXOP-LBPRGKRZSA-N -1 1 379.424 1.720 20 0 GDADMM Cc1cccc([C@H](CNC(=O)c2ccc(-c3nnn[n-]3)nc2)N2CCOCC2)c1 ZINC000737388786 598992816 /nfs/dbraw/zinc/99/28/16/598992816.db2.gz LRHPCASLQNCACV-SFHVURJKSA-N -1 1 393.451 1.373 20 0 GDADMM Cc1cccc([C@H](CNC(=O)c2ccc(-c3nn[n-]n3)nc2)N2CCOCC2)c1 ZINC000737388786 598992817 /nfs/dbraw/zinc/99/28/17/598992817.db2.gz LRHPCASLQNCACV-SFHVURJKSA-N -1 1 393.451 1.373 20 0 GDADMM COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736924397 598994043 /nfs/dbraw/zinc/99/40/43/598994043.db2.gz YLLQYIOENKKIJM-UHFFFAOYSA-N -1 1 386.799 1.731 20 0 GDADMM COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736924397 598994044 /nfs/dbraw/zinc/99/40/44/598994044.db2.gz YLLQYIOENKKIJM-UHFFFAOYSA-N -1 1 386.799 1.731 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)N[C@@H]1CCCc2ccccc21 ZINC000737908039 598994542 /nfs/dbraw/zinc/99/45/42/598994542.db2.gz GXTOSCDSERUXAZ-OAHLLOKOSA-N -1 1 378.392 1.612 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)N[C@@H]1CCCc2ccccc21 ZINC000737908039 598994544 /nfs/dbraw/zinc/99/45/44/598994544.db2.gz GXTOSCDSERUXAZ-OAHLLOKOSA-N -1 1 378.392 1.612 20 0 GDADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(N2CCOC2=O)cc1 ZINC000736120565 598998499 /nfs/dbraw/zinc/99/84/99/598998499.db2.gz YITWJWLADFERDB-LLVKDONJSA-N -1 1 379.380 1.709 20 0 GDADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(N2CCOC2=O)cc1 ZINC000736120565 598998501 /nfs/dbraw/zinc/99/85/01/598998501.db2.gz YITWJWLADFERDB-LLVKDONJSA-N -1 1 379.380 1.709 20 0 GDADMM COc1ccc(CCNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1OC(F)F ZINC000737086699 599000080 /nfs/dbraw/zinc/00/00/80/599000080.db2.gz AWHHTSJZGFEOQM-UHFFFAOYSA-N -1 1 390.350 1.844 20 0 GDADMM COc1ccc(CCNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1OC(F)F ZINC000737086699 599000082 /nfs/dbraw/zinc/00/00/82/599000082.db2.gz AWHHTSJZGFEOQM-UHFFFAOYSA-N -1 1 390.350 1.844 20 0 GDADMM O=C(Nc1cccc(F)c1)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000738183338 599000709 /nfs/dbraw/zinc/00/07/09/599000709.db2.gz LXIFWTKCLIKYFD-UHFFFAOYSA-N -1 1 395.398 1.892 20 0 GDADMM O=C(Nc1cccc(F)c1)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000738183338 599000710 /nfs/dbraw/zinc/00/07/10/599000710.db2.gz LXIFWTKCLIKYFD-UHFFFAOYSA-N -1 1 395.398 1.892 20 0 GDADMM O=C(Nc1ccc(F)cc1)[C@@H]1CSCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738166350 599005284 /nfs/dbraw/zinc/00/52/84/599005284.db2.gz SERMFJQYIMRTEP-AWEZNQCLSA-N -1 1 399.411 1.555 20 0 GDADMM O=C(Nc1ccc(F)cc1)[C@@H]1CSCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738166350 599005285 /nfs/dbraw/zinc/00/52/85/599005285.db2.gz SERMFJQYIMRTEP-AWEZNQCLSA-N -1 1 399.411 1.555 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000738259869 599020336 /nfs/dbraw/zinc/02/03/36/599020336.db2.gz XCEGAOVCVAJURZ-UHFFFAOYSA-N -1 1 383.843 1.873 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000738259869 599020338 /nfs/dbraw/zinc/02/03/38/599020338.db2.gz XCEGAOVCVAJURZ-UHFFFAOYSA-N -1 1 383.843 1.873 20 0 GDADMM O=C(NC1CCN(C(=O)c2ccccc2F)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738026032 599022889 /nfs/dbraw/zinc/02/28/89/599022889.db2.gz PQXMLLRHMNPIRI-UHFFFAOYSA-N -1 1 395.398 1.435 20 0 GDADMM O=C(NC1CCN(C(=O)c2ccccc2F)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738026032 599022890 /nfs/dbraw/zinc/02/28/90/599022890.db2.gz PQXMLLRHMNPIRI-UHFFFAOYSA-N -1 1 395.398 1.435 20 0 GDADMM O=C(NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738118053 599025804 /nfs/dbraw/zinc/02/58/04/599025804.db2.gz WEEDAUUWFFNDQW-INIZCTEOSA-N -1 1 393.407 1.309 20 0 GDADMM O=C(NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738118053 599025806 /nfs/dbraw/zinc/02/58/06/599025806.db2.gz WEEDAUUWFFNDQW-INIZCTEOSA-N -1 1 393.407 1.309 20 0 GDADMM CN(C[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1)C(=O)OC(C)(C)C ZINC000736790413 599029350 /nfs/dbraw/zinc/02/93/50/599029350.db2.gz HUUUUUOGUXNNBQ-GFCCVEGCSA-N -1 1 387.444 1.591 20 0 GDADMM CN(C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1)C(=O)OC(C)(C)C ZINC000736790413 599029351 /nfs/dbraw/zinc/02/93/51/599029351.db2.gz HUUUUUOGUXNNBQ-GFCCVEGCSA-N -1 1 387.444 1.591 20 0 GDADMM O=C(N[C@H](C(=O)Nc1cc[nH]n1)c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000737997529 599030525 /nfs/dbraw/zinc/03/05/25/599030525.db2.gz WTZDAVQBOZQCBC-HNNXBMFYSA-N -1 1 389.379 1.095 20 0 GDADMM O=C(N[C@H](C(=O)Nc1cc[nH]n1)c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000737997529 599030527 /nfs/dbraw/zinc/03/05/27/599030527.db2.gz WTZDAVQBOZQCBC-HNNXBMFYSA-N -1 1 389.379 1.095 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000735625333 599031091 /nfs/dbraw/zinc/03/10/91/599031091.db2.gz CYEBEQCUZIZGTO-GFCCVEGCSA-N -1 1 387.444 1.639 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000735625333 599031093 /nfs/dbraw/zinc/03/10/93/599031093.db2.gz CYEBEQCUZIZGTO-GFCCVEGCSA-N -1 1 387.444 1.639 20 0 GDADMM CCc1ccc2c(c1)[C@H](CCNC(=O)c1ccc(-c3nnn[n-]3)nc1)C(=O)N2 ZINC000736700592 599031217 /nfs/dbraw/zinc/03/12/17/599031217.db2.gz VGFRJXJCQNOUJB-ZDUSSCGKSA-N -1 1 377.408 1.680 20 0 GDADMM CCc1ccc2c(c1)[C@H](CCNC(=O)c1ccc(-c3nn[n-]n3)nc1)C(=O)N2 ZINC000736700592 599031219 /nfs/dbraw/zinc/03/12/19/599031219.db2.gz VGFRJXJCQNOUJB-ZDUSSCGKSA-N -1 1 377.408 1.680 20 0 GDADMM CCOc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736646160 599132258 /nfs/dbraw/zinc/13/22/58/599132258.db2.gz JHEQVTDXEHNSOG-NSHDSACASA-N -1 1 382.380 1.844 20 0 GDADMM CCOc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736646160 599132261 /nfs/dbraw/zinc/13/22/61/599132261.db2.gz JHEQVTDXEHNSOG-NSHDSACASA-N -1 1 382.380 1.844 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000736157040 599133878 /nfs/dbraw/zinc/13/38/78/599133878.db2.gz HRWXKFJITLVNDT-VIFPVBQESA-N -1 1 394.347 1.021 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000736157040 599133880 /nfs/dbraw/zinc/13/38/80/599133880.db2.gz HRWXKFJITLVNDT-VIFPVBQESA-N -1 1 394.347 1.021 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000736157293 599137895 /nfs/dbraw/zinc/13/78/95/599137895.db2.gz JZKAZSPUDLXPEZ-BXUZGUMPSA-N -1 1 394.391 1.447 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000736157293 599137898 /nfs/dbraw/zinc/13/78/98/599137898.db2.gz JZKAZSPUDLXPEZ-BXUZGUMPSA-N -1 1 394.391 1.447 20 0 GDADMM C[C@@H](CNC(=O)[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000736157687 599138005 /nfs/dbraw/zinc/13/80/05/599138005.db2.gz KWCWIKPKXYOXDN-QWHCGFSZSA-N -1 1 380.408 1.727 20 0 GDADMM C[C@@H](CNC(=O)[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000736157687 599138007 /nfs/dbraw/zinc/13/80/07/599138007.db2.gz KWCWIKPKXYOXDN-QWHCGFSZSA-N -1 1 380.408 1.727 20 0 GDADMM C[C@H]1CCc2ccccc2N1C(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736278177 599142489 /nfs/dbraw/zinc/14/24/89/599142489.db2.gz DTQBBCHWYSULLB-LBPRGKRZSA-N -1 1 378.392 1.786 20 0 GDADMM C[C@H]1CCc2ccccc2N1C(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736278177 599142491 /nfs/dbraw/zinc/14/24/91/599142491.db2.gz DTQBBCHWYSULLB-LBPRGKRZSA-N -1 1 378.392 1.786 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)N1CCC(c2ccccc2)=N1 ZINC000738221565 599142564 /nfs/dbraw/zinc/14/25/64/599142564.db2.gz XMNICFAKNXCAOA-UHFFFAOYSA-N -1 1 377.364 1.055 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)N1CCC(c2ccccc2)=N1 ZINC000738221565 599142566 /nfs/dbraw/zinc/14/25/66/599142566.db2.gz XMNICFAKNXCAOA-UHFFFAOYSA-N -1 1 377.364 1.055 20 0 GDADMM CCCn1cc(NC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)cn1 ZINC000821147316 599160151 /nfs/dbraw/zinc/16/01/51/599160151.db2.gz DZTVXZRUZNOLHD-UHFFFAOYSA-N -1 1 394.443 1.704 20 0 GDADMM CCCn1cc(NC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)cn1 ZINC000821147316 599160153 /nfs/dbraw/zinc/16/01/53/599160153.db2.gz DZTVXZRUZNOLHD-UHFFFAOYSA-N -1 1 394.443 1.704 20 0 GDADMM Cc1nn(C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(=O)c(-c2nn[n-]n2)c1C ZINC000737513646 599162473 /nfs/dbraw/zinc/16/24/73/599162473.db2.gz RIHDEJSVWHXCQG-GFCCVEGCSA-N -1 1 375.433 1.297 20 0 GDADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(Cc2ccn(-c3ccc(F)cc3)n2)c1 ZINC000736941809 599164285 /nfs/dbraw/zinc/16/42/85/599164285.db2.gz VWIUEWGZLUXOHX-UHFFFAOYSA-N -1 1 395.354 1.188 20 0 GDADMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)/C=C/c1ccccc1Br ZINC000739606644 596926676 /nfs/dbraw/zinc/92/66/76/596926676.db2.gz ZJWRPMYBLAVXPF-JXMROGBWSA-N -1 1 391.287 1.698 20 0 GDADMM CN1CCN(C[C@@H](NC(=O)N2CCC[C@H](CC(=O)[O-])C2)c2ccccc2)CC1 ZINC000818482125 597064130 /nfs/dbraw/zinc/06/41/30/597064130.db2.gz GKXXOENNIBYLLL-IEBWSBKVSA-N -1 1 388.512 1.871 20 0 GDADMM CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)CSCC(=O)[O-])CC1 ZINC000564964584 597091189 /nfs/dbraw/zinc/09/11/89/597091189.db2.gz BFMFVWDWBNBPCO-ZDUSSCGKSA-N -1 1 383.489 1.963 20 0 GDADMM C[C@@H](NC(=O)C(=O)Nc1ccc(-c2nnc(-c3ccccc3)[nH]2)cc1)C(=O)[O-] ZINC000820106908 597349766 /nfs/dbraw/zinc/34/97/66/597349766.db2.gz CBKNWZFEWXXBAN-LLVKDONJSA-N -1 1 379.376 1.667 20 0 GDADMM C[C@@H](NC(=O)C(=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1)C(=O)[O-] ZINC000820106908 597349770 /nfs/dbraw/zinc/34/97/70/597349770.db2.gz CBKNWZFEWXXBAN-LLVKDONJSA-N -1 1 379.376 1.667 20 0 GDADMM C[C@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)N1CC[C@H](C(=O)[O-])C1 ZINC000262676905 597534254 /nfs/dbraw/zinc/53/42/54/597534254.db2.gz UMTGHTUOUGLRLS-ZJUUUORDSA-N -1 1 385.342 1.786 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)Cc2cccc(OCC(F)(F)F)c2)n1 ZINC000822604679 607318166 /nfs/dbraw/zinc/31/81/66/607318166.db2.gz IVZJHJHTASJRBT-UHFFFAOYSA-N -1 1 381.318 1.723 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)Cc2cccc(OCC(F)(F)F)c2)n1 ZINC000822604679 607318167 /nfs/dbraw/zinc/31/81/67/607318167.db2.gz IVZJHJHTASJRBT-UHFFFAOYSA-N -1 1 381.318 1.723 20 0 GDADMM CCN(CC)CCN(C(=O)c1ccc(C(=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000820338674 598158625 /nfs/dbraw/zinc/15/86/25/598158625.db2.gz MLCHJGFLVDOZFI-INIZCTEOSA-N -1 1 382.482 1.356 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCN1CCOC[C@H]1C ZINC000737546233 598234360 /nfs/dbraw/zinc/23/43/60/598234360.db2.gz BGJOYKSKASLXIT-GFCCVEGCSA-N -1 1 385.428 1.009 20 0 GDADMM CCN(CC(=O)N(C)C)C(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000736511047 598239952 /nfs/dbraw/zinc/23/99/52/598239952.db2.gz CRYLPGWNBJLDAM-UHFFFAOYSA-N -1 1 389.485 1.411 20 0 GDADMM CC(C)CCOc1ccccc1CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000735819766 598246358 /nfs/dbraw/zinc/24/63/58/598246358.db2.gz KTNBDDBUGLPWLV-UHFFFAOYSA-N -1 1 399.455 1.301 20 0 GDADMM Cc1cccc(N2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)c1C ZINC000737399674 598259601 /nfs/dbraw/zinc/25/96/01/598259601.db2.gz OAFOPUKUUFGLPJ-UHFFFAOYSA-N -1 1 399.480 1.389 20 0 GDADMM Cc1cccc(N2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)c1C ZINC000737399674 598259602 /nfs/dbraw/zinc/25/96/02/598259602.db2.gz OAFOPUKUUFGLPJ-UHFFFAOYSA-N -1 1 399.480 1.389 20 0 GDADMM O=S(=O)(NCCCSc1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738337783 598261344 /nfs/dbraw/zinc/26/13/44/598261344.db2.gz GLTZPMHVHWALHZ-UHFFFAOYSA-N -1 1 376.467 1.722 20 0 GDADMM O=S(=O)(NCCCSc1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738337783 598261345 /nfs/dbraw/zinc/26/13/45/598261345.db2.gz GLTZPMHVHWALHZ-UHFFFAOYSA-N -1 1 376.467 1.722 20 0 GDADMM O=S(=O)(NCc1ncc(-c2ccccc2)o1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738345474 598266128 /nfs/dbraw/zinc/26/61/28/598266128.db2.gz NISLIVRTKLHCMW-UHFFFAOYSA-N -1 1 383.393 1.395 20 0 GDADMM O=S(=O)(NCc1ncc(-c2ccccc2)o1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738345474 598266129 /nfs/dbraw/zinc/26/61/29/598266129.db2.gz NISLIVRTKLHCMW-UHFFFAOYSA-N -1 1 383.393 1.395 20 0 GDADMM C[C@@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)COCc1ccccc1 ZINC000736027173 598268205 /nfs/dbraw/zinc/26/82/05/598268205.db2.gz YWPUUKQHFLOJQT-ZDUSSCGKSA-N -1 1 388.453 1.393 20 0 GDADMM C[C@@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)COCc1ccccc1 ZINC000736027173 598268207 /nfs/dbraw/zinc/26/82/07/598268207.db2.gz YWPUUKQHFLOJQT-ZDUSSCGKSA-N -1 1 388.453 1.393 20 0 GDADMM COCCN([C@@H](C)c1ccccc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736988719 598270698 /nfs/dbraw/zinc/27/06/98/598270698.db2.gz RAHCUORKIOGARD-ZDUSSCGKSA-N -1 1 388.453 1.660 20 0 GDADMM COCCN([C@@H](C)c1ccccc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736988719 598270700 /nfs/dbraw/zinc/27/07/00/598270700.db2.gz RAHCUORKIOGARD-ZDUSSCGKSA-N -1 1 388.453 1.660 20 0 GDADMM COc1ccccc1C(C)(C)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737138819 598270990 /nfs/dbraw/zinc/27/09/90/598270990.db2.gz OSTJHFOZVLJIDN-UHFFFAOYSA-N -1 1 388.453 1.526 20 0 GDADMM COc1ccccc1C(C)(C)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737138819 598270991 /nfs/dbraw/zinc/27/09/91/598270991.db2.gz OSTJHFOZVLJIDN-UHFFFAOYSA-N -1 1 388.453 1.526 20 0 GDADMM CCOC(=O)[C@H](C)OC(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1 ZINC000736584456 598288148 /nfs/dbraw/zinc/28/81/48/598288148.db2.gz HBDUKKHUQJWNHA-QMMMGPOBSA-N -1 1 377.426 1.969 20 0 GDADMM CCOC(=O)[C@H](C)OC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000736584456 598288150 /nfs/dbraw/zinc/28/81/50/598288150.db2.gz HBDUKKHUQJWNHA-QMMMGPOBSA-N -1 1 377.426 1.969 20 0 GDADMM Cc1ccn(CC(=O)Nc2ccc(Br)cc2)c(=O)c1-c1nn[n-]n1 ZINC000822370243 607349842 /nfs/dbraw/zinc/34/98/42/607349842.db2.gz UOQSOCHFMIDPQA-UHFFFAOYSA-N -1 1 389.213 1.738 20 0 GDADMM Cc1cc(NC(=O)CNc2nccnc2-c2nnn[n-]2)ccc1Br ZINC000737270832 598350238 /nfs/dbraw/zinc/35/02/38/598350238.db2.gz IHMMBRYVKWJCRX-UHFFFAOYSA-N -1 1 389.217 1.778 20 0 GDADMM Cc1cc(NC(=O)CNc2nccnc2-c2nn[n-]n2)ccc1Br ZINC000737270832 598350240 /nfs/dbraw/zinc/35/02/40/598350240.db2.gz IHMMBRYVKWJCRX-UHFFFAOYSA-N -1 1 389.217 1.778 20 0 GDADMM O=C(CNc1nccnc1-c1nnn[n-]1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000737899062 598352542 /nfs/dbraw/zinc/35/25/42/598352542.db2.gz AKLKTOWXRJXIRL-UHFFFAOYSA-N -1 1 399.846 1.071 20 0 GDADMM O=C(CNc1nccnc1-c1nn[n-]n1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000737899062 598352543 /nfs/dbraw/zinc/35/25/43/598352543.db2.gz AKLKTOWXRJXIRL-UHFFFAOYSA-N -1 1 399.846 1.071 20 0 GDADMM CCc1nn(C[C@H](O)COc2cc(C)cc(C)c2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705642 598374168 /nfs/dbraw/zinc/37/41/68/598374168.db2.gz MMXILGKBIQFDHA-AWEZNQCLSA-N -1 1 398.467 1.605 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N(C)C[C@H]1CCCO1 ZINC000737488162 598374366 /nfs/dbraw/zinc/37/43/66/598374366.db2.gz PSHNRAXRDQVWAF-CYBMUJFWSA-N -1 1 384.444 1.096 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N(C)C[C@H]1CCCO1 ZINC000737488162 598374368 /nfs/dbraw/zinc/37/43/68/598374368.db2.gz PSHNRAXRDQVWAF-CYBMUJFWSA-N -1 1 384.444 1.096 20 0 GDADMM CCc1nn(CC(=O)N(C)[C@H](C)c2ccccc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705158 598377961 /nfs/dbraw/zinc/37/79/61/598377961.db2.gz CWEDKVQYVSPBSS-CYBMUJFWSA-N -1 1 395.467 1.768 20 0 GDADMM CCc1nn(CC(=O)N(C)Cc2ccccc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706898 598379458 /nfs/dbraw/zinc/37/94/58/598379458.db2.gz ZUDOVKWKEGSRSI-UHFFFAOYSA-N -1 1 381.440 1.207 20 0 GDADMM O=C(COc1cccc(NC(=O)C2CC2)c1)N=c1cc[nH]cc1-c1nn[n-]n1 ZINC000737924297 598380507 /nfs/dbraw/zinc/38/05/07/598380507.db2.gz AFXVFTASRDQZEK-UHFFFAOYSA-N -1 1 379.380 1.050 20 0 GDADMM CCOCCN(CC)C(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000736620506 598455617 /nfs/dbraw/zinc/45/56/17/598455617.db2.gz WCYAKFIZZLZRHI-UHFFFAOYSA-N -1 1 386.460 1.344 20 0 GDADMM CCOCCN(CC)C(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000736620506 598455618 /nfs/dbraw/zinc/45/56/18/598455618.db2.gz WCYAKFIZZLZRHI-UHFFFAOYSA-N -1 1 386.460 1.344 20 0 GDADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)N1CCc2sccc2C1 ZINC000737981052 598504813 /nfs/dbraw/zinc/50/48/13/598504813.db2.gz HVVNFQILVGKUGD-UHFFFAOYSA-N -1 1 392.444 1.828 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC[C@@H](O)C2CCCCC2)cc1-c1nn[n-]n1 ZINC000737187811 598530255 /nfs/dbraw/zinc/53/02/55/598530255.db2.gz VUANZHVAZWGOPR-GFCCVEGCSA-N -1 1 378.458 1.360 20 0 GDADMM CN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1cnc2c(-c3nnn[n-]3)cnn2c1 ZINC000736844442 598543283 /nfs/dbraw/zinc/54/32/83/598543283.db2.gz BAHQYVPKNDFTQA-AWEZNQCLSA-N -1 1 381.787 1.759 20 0 GDADMM CN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1cnc2c(-c3nn[n-]n3)cnn2c1 ZINC000736844442 598543285 /nfs/dbraw/zinc/54/32/85/598543285.db2.gz BAHQYVPKNDFTQA-AWEZNQCLSA-N -1 1 381.787 1.759 20 0 GDADMM CN(C[C@@H]1CCCN1c1cccnn1)c1snc(Cl)c1-c1nnn[n-]1 ZINC000736795602 598544308 /nfs/dbraw/zinc/54/43/08/598544308.db2.gz WIQDVLWLSOSLQH-VIFPVBQESA-N -1 1 377.865 1.872 20 0 GDADMM CN(C[C@@H]1CCCN1c1cccnn1)c1snc(Cl)c1-c1nn[n-]n1 ZINC000736795602 598544309 /nfs/dbraw/zinc/54/43/09/598544309.db2.gz WIQDVLWLSOSLQH-VIFPVBQESA-N -1 1 377.865 1.872 20 0 GDADMM CCc1nn(CC(=O)N2CCC[C@H]3CCCC[C@@H]32)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705950 598642030 /nfs/dbraw/zinc/64/20/30/598642030.db2.gz QLWLECFTFXZVJY-CJNGLKHVSA-N -1 1 399.499 1.729 20 0 GDADMM CCc1nn(CC(=O)Nc2ccc(C)cc2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706012 598642035 /nfs/dbraw/zinc/64/20/35/598642035.db2.gz RTETVZALEYCMOO-UHFFFAOYSA-N -1 1 381.440 1.804 20 0 GDADMM CCc1nn(CC(=O)Nc2c(F)cccc2F)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705812 598642259 /nfs/dbraw/zinc/64/22/59/598642259.db2.gz PJOCKNGOJWYQOA-UHFFFAOYSA-N -1 1 389.366 1.465 20 0 GDADMM O=C1CCCc2cc([N-]S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)ccc2N1 ZINC000738304565 598663885 /nfs/dbraw/zinc/66/38/85/598663885.db2.gz OUTCGOGLFYHXEE-UHFFFAOYSA-N -1 1 384.421 1.942 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000737201044 598671141 /nfs/dbraw/zinc/67/11/41/598671141.db2.gz PPXRWFLGIJWNBG-OAHLLOKOSA-N -1 1 396.455 1.614 20 0 GDADMM CCN(CC)C(=O)c1cccc(NC(=O)Cn2cccc(-c3nn[n-]n3)c2=O)c1 ZINC000736529042 598675918 /nfs/dbraw/zinc/67/59/18/598675918.db2.gz ICZJOVQUMGDMJN-UHFFFAOYSA-N -1 1 395.423 1.149 20 0 GDADMM Cc1ccc(CCNC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)cn1 ZINC000737337052 598696783 /nfs/dbraw/zinc/69/67/83/598696783.db2.gz CVCHNTUHIBRLJR-UHFFFAOYSA-N -1 1 381.440 1.579 20 0 GDADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000737981221 598719772 /nfs/dbraw/zinc/71/97/72/598719772.db2.gz KGUXYAKUKRKGEI-DLBZAZTESA-N -1 1 394.435 1.352 20 0 GDADMM CCc1nn(Cc2ccc(Br)cn2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706032 598752121 /nfs/dbraw/zinc/75/21/21/598752121.db2.gz FSYSNLPDFFTDTB-UHFFFAOYSA-N -1 1 390.245 1.754 20 0 GDADMM CCN(C)C(=O)C(=O)Nc1ccc(Oc2ncccc2-c2nn[n-]n2)cc1C ZINC000736510244 598788323 /nfs/dbraw/zinc/78/83/23/598788323.db2.gz SNPPGYAWQOMSQR-UHFFFAOYSA-N -1 1 381.396 1.779 20 0 GDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCc1cccc(-c2nn[nH]n2)c1 ZINC000737488328 598816592 /nfs/dbraw/zinc/81/65/92/598816592.db2.gz PKUDXCCNQNXAAW-UHFFFAOYSA-N -1 1 379.380 1.518 20 0 GDADMM CC(C)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000820010673 599334803 /nfs/dbraw/zinc/33/48/03/599334803.db2.gz BWCGHVWNUDCMHL-UHFFFAOYSA-N -1 1 398.876 1.009 20 0 GDADMM CN(C)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000821575951 599335777 /nfs/dbraw/zinc/33/57/77/599335777.db2.gz WEOIKNYXBNHOFC-UHFFFAOYSA-N -1 1 398.876 1.009 20 0 GDADMM C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC000736298469 599350215 /nfs/dbraw/zinc/35/02/15/599350215.db2.gz QASCJUCPKPLKHD-QWRGUYRKSA-N -1 1 390.448 1.829 20 0 GDADMM C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC000736298469 599350218 /nfs/dbraw/zinc/35/02/18/599350218.db2.gz QASCJUCPKPLKHD-QWRGUYRKSA-N -1 1 390.448 1.829 20 0 GDADMM CC(C)(C)OC(=O)CCCCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000819928021 599371534 /nfs/dbraw/zinc/37/15/34/599371534.db2.gz GLEKQSDHCBXKBW-UHFFFAOYSA-N -1 1 396.473 1.442 20 0 GDADMM CC(C)(C)OC(=O)CCCCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000819928021 599371537 /nfs/dbraw/zinc/37/15/37/599371537.db2.gz GLEKQSDHCBXKBW-UHFFFAOYSA-N -1 1 396.473 1.442 20 0 GDADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc(-n2ccnc2)c1 ZINC000820444083 599374447 /nfs/dbraw/zinc/37/44/47/599374447.db2.gz FPTMKHWGZQXIAN-GFCCVEGCSA-N -1 1 396.436 1.487 20 0 GDADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc(-n2ccnc2)c1 ZINC000820444083 599374450 /nfs/dbraw/zinc/37/44/50/599374450.db2.gz FPTMKHWGZQXIAN-GFCCVEGCSA-N -1 1 396.436 1.487 20 0 GDADMM CSCC[C@@H](C)NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000737180343 599383019 /nfs/dbraw/zinc/38/30/19/599383019.db2.gz FOTKUCAOODLHSV-SNVBAGLBSA-N -1 1 388.501 1.717 20 0 GDADMM CSCC[C@@H](C)NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000737180343 599383022 /nfs/dbraw/zinc/38/30/22/599383022.db2.gz FOTKUCAOODLHSV-SNVBAGLBSA-N -1 1 388.501 1.717 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)Nc1nc(C(N)=O)cs1 ZINC000737549708 599389214 /nfs/dbraw/zinc/38/92/14/599389214.db2.gz XQTIEVKOBLVNEW-UHFFFAOYSA-N -1 1 384.381 1.367 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Nc1nc(C(N)=O)cs1 ZINC000737549708 599389216 /nfs/dbraw/zinc/38/92/16/599389216.db2.gz XQTIEVKOBLVNEW-UHFFFAOYSA-N -1 1 384.381 1.367 20 0 GDADMM CCOC(=O)Cc1cccc([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000736598641 599562072 /nfs/dbraw/zinc/56/20/72/599562072.db2.gz FGCQQIVCUZYXBN-UHFFFAOYSA-N -1 1 387.421 1.773 20 0 GDADMM CSC[C@](C)(O)CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000737179012 599579317 /nfs/dbraw/zinc/57/93/17/599579317.db2.gz GWTFSBQMQYWSFC-MRXNPFEDSA-N -1 1 376.442 1.403 20 0 GDADMM CSC[C@](C)(O)CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000737179012 599579319 /nfs/dbraw/zinc/57/93/19/599579319.db2.gz GWTFSBQMQYWSFC-MRXNPFEDSA-N -1 1 376.442 1.403 20 0 GDADMM CCOCCN(CC)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000736617264 599593759 /nfs/dbraw/zinc/59/37/59/599593759.db2.gz BYPPQYLYXOFPHG-UHFFFAOYSA-N -1 1 393.391 1.933 20 0 GDADMM CO[C@@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C1 ZINC000736960488 599594031 /nfs/dbraw/zinc/59/40/31/599594031.db2.gz GSNBFZCGWWBBEO-SNVBAGLBSA-N -1 1 391.375 1.685 20 0 GDADMM CO[C@H](CNC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C)C(C)C ZINC000821675390 599653793 /nfs/dbraw/zinc/65/37/93/599653793.db2.gz KNLVZZJNNYLSAV-OAHLLOKOSA-N -1 1 386.460 1.246 20 0 GDADMM CO[C@H](CNC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C)C(C)C ZINC000821675390 599653794 /nfs/dbraw/zinc/65/37/94/599653794.db2.gz KNLVZZJNNYLSAV-OAHLLOKOSA-N -1 1 386.460 1.246 20 0 GDADMM C[C@]1(CCc2ccc3c(c2)OCO3)NC(=O)N(CN2CC[C@H](C(=O)[O-])C2)C1=O ZINC000736738762 599704768 /nfs/dbraw/zinc/70/47/68/599704768.db2.gz XRCJKPDTZVXUTM-ORAYPTAESA-N -1 1 389.408 1.022 20 0 GDADMM Cc1c(C(=O)[O-])sc2[nH]c(CN3CCN([C@@H]4CCC[C@H]4O)CC3)nc(=O)c12 ZINC000738289126 599713079 /nfs/dbraw/zinc/71/30/79/599713079.db2.gz DNSXYDKEIPQSKG-VXGBXAGGSA-N -1 1 392.481 1.022 20 0 GDADMM COc1cc(C(=O)[O-])ccc1OC[C@@H](O)CN1CCC[C@H](NC(=O)C(C)C)C1 ZINC000737867701 599752943 /nfs/dbraw/zinc/75/29/43/599752943.db2.gz PYEOHXCPIAYRSI-HOTGVXAUSA-N -1 1 394.468 1.370 20 0 GDADMM CC(C)CN1CCO[C@@H](CNC(=O)COC(=O)c2ccccc2C(=O)[O-])C1 ZINC000736443095 599787345 /nfs/dbraw/zinc/78/73/45/599787345.db2.gz NUVIICSRKXPEOB-AWEZNQCLSA-N -1 1 378.425 1.015 20 0 GDADMM COCCN1CCC[C@H]1CNS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000737807449 599827200 /nfs/dbraw/zinc/82/72/00/599827200.db2.gz AZJASTWWYGTLML-LBPRGKRZSA-N -1 1 376.862 1.427 20 0 GDADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000262406729 599835881 /nfs/dbraw/zinc/83/58/81/599835881.db2.gz OTTKDCCUYAEWTB-SNPRPXQTSA-N -1 1 397.435 1.734 20 0 GDADMM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCNC(=O)c1n[nH]c2ccccc21 ZINC000262465811 599835883 /nfs/dbraw/zinc/83/58/83/599835883.db2.gz WIXHYGJNBIRPCG-RCBQFDQVSA-N -1 1 384.436 1.927 20 0 GDADMM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CCNC(=O)c1n[nH]c2ccccc21 ZINC000262465812 599835904 /nfs/dbraw/zinc/83/59/04/599835904.db2.gz WIXHYGJNBIRPCG-WQVCFCJDSA-N -1 1 384.436 1.927 20 0 GDADMM COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N(C)CC(=O)[O-])c1 ZINC000485471126 599851497 /nfs/dbraw/zinc/85/14/97/599851497.db2.gz XQUCHRYLIMTNMH-UHFFFAOYSA-N -1 1 378.406 1.653 20 0 GDADMM COc1ccc([C@@H](NCC2=Nc3ccccc3S(=O)(=O)N2)C(=O)[O-])cc1 ZINC000737972894 599860786 /nfs/dbraw/zinc/86/07/86/599860786.db2.gz OUYPHUZROKDMGY-MRXNPFEDSA-N -1 1 375.406 1.433 20 0 GDADMM COC(=O)C[C@H]1CCCN1C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821658782 607405033 /nfs/dbraw/zinc/40/50/33/607405033.db2.gz IDIIZECASOKGTM-GFCCVEGCSA-N -1 1 388.428 1.071 20 0 GDADMM C[C@@H](O)CN1CCN(CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)C[C@H]1C ZINC000736675501 599960179 /nfs/dbraw/zinc/96/01/79/599960179.db2.gz DQHWKZZCHNBIPZ-VXGBXAGGSA-N -1 1 381.498 1.260 20 0 GDADMM O=C([O-])C1CCN(CC(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)CC1 ZINC000262691515 599966735 /nfs/dbraw/zinc/96/67/35/599966735.db2.gz ZMYYOBWYGYAVDF-UHFFFAOYSA-N -1 1 397.878 1.920 20 0 GDADMM COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c1 ZINC000511711092 600005817 /nfs/dbraw/zinc/00/58/17/600005817.db2.gz FKBGBZJLUDWRJE-UHFFFAOYSA-N -1 1 390.373 1.420 20 0 GDADMM COC[C@@H](OC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C)C1CC1 ZINC000826151979 607412522 /nfs/dbraw/zinc/41/25/22/607412522.db2.gz NHUPXIVTUFOZGP-OAHLLOKOSA-N -1 1 385.428 1.427 20 0 GDADMM COC[C@@H](OC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C)C1CC1 ZINC000826151979 607412523 /nfs/dbraw/zinc/41/25/23/607412523.db2.gz NHUPXIVTUFOZGP-OAHLLOKOSA-N -1 1 385.428 1.427 20 0 GDADMM CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)N3CCO[C@H](C(=O)[O-])C3)c2C1 ZINC000736352302 600052329 /nfs/dbraw/zinc/05/23/29/600052329.db2.gz BGPMBMAJPKGHCY-GUYCJALGSA-N -1 1 389.452 1.297 20 0 GDADMM 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COc1cc(-c2noc(COC(=O)c3ccc(-c4nnn[n-]4)nc3)n2)ccc1C ZINC000826176103 607553771 /nfs/dbraw/zinc/55/37/71/607553771.db2.gz AWSFFLJSTFSQLV-UHFFFAOYSA-N -1 1 393.363 1.986 20 0 GDADMM COc1ccc(C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)cc1-c1nn[nH]n1 ZINC000826203367 607553788 /nfs/dbraw/zinc/55/37/88/607553788.db2.gz LAADABPVDUPBTA-UHFFFAOYSA-N -1 1 399.354 1.771 20 0 GDADMM COc1cc(-c2noc(COC(=O)c3ccc(-c4nn[n-]n4)nc3)n2)ccc1C ZINC000826176103 607553772 /nfs/dbraw/zinc/55/37/72/607553772.db2.gz AWSFFLJSTFSQLV-UHFFFAOYSA-N -1 1 393.363 1.986 20 0 GDADMM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(CC(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000827688502 602245201 /nfs/dbraw/zinc/24/52/01/602245201.db2.gz WXSRGKIMZIHBDO-ZBFHGGJFSA-N -1 1 397.516 1.935 20 0 GDADMM CS(=O)(=O)c1cc(NC(=O)c2nnc3ccccc3c2O)cc(C(=O)[O-])c1 ZINC000767212792 602250818 /nfs/dbraw/zinc/25/08/18/602250818.db2.gz ZMDZXZLFCWDJES-UHFFFAOYSA-N -1 1 387.373 1.689 20 0 GDADMM C[C@@H](NC(=O)[C@H](C)NC(=O)c1n[nH]c2ccccc21)[C@H]1CCCN(C(=O)[O-])C1 ZINC000739023853 602270086 /nfs/dbraw/zinc/27/00/86/602270086.db2.gz FJUMVERCVZGASX-AGIUHOORSA-N -1 1 387.440 1.576 20 0 GDADMM CCN1CCC[C@H](NC(=O)C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)C1 ZINC000829765094 602285326 /nfs/dbraw/zinc/28/53/26/602285326.db2.gz IQGSKADYLNZJSO-AWEZNQCLSA-N -1 1 399.447 1.842 20 0 GDADMM CCc1cc(CNC(=O)C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)n[nH]1 ZINC000830218628 602286696 /nfs/dbraw/zinc/28/66/96/602286696.db2.gz FYIDJIVVAMKQSP-UHFFFAOYSA-N -1 1 396.403 1.844 20 0 GDADMM O=C([O-])COc1ccc(NC(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)c2ccccc12 ZINC000833254655 602288051 /nfs/dbraw/zinc/28/80/51/602288051.db2.gz SAAGZEZXLUUHME-CQSZACIVSA-N -1 1 397.431 1.548 20 0 GDADMM C[C@@]1(Br)C[C@H]1C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000528954794 649931793 /nfs/dbraw/zinc/93/17/93/649931793.db2.gz YILIIKYKIFZNHP-IINYFYTJSA-N -1 1 389.271 1.945 20 0 GDADMM Cn1cc(NC(=O)N2CCO[C@@H](c3n[nH]c(C(C)(C)C)n3)C2)cc1C(=O)[O-] ZINC000833049193 602355060 /nfs/dbraw/zinc/35/50/60/602355060.db2.gz RUKAOLDDKAXMES-GFCCVEGCSA-N -1 1 376.417 1.744 20 0 GDADMM Cn1cc(NC(=O)N2CCO[C@@H](c3nnc(C(C)(C)C)[nH]3)C2)cc1C(=O)[O-] ZINC000833049193 602355062 /nfs/dbraw/zinc/35/50/62/602355062.db2.gz RUKAOLDDKAXMES-GFCCVEGCSA-N -1 1 376.417 1.744 20 0 GDADMM O=C([O-])N1CC[NH+](CCCNC(=O)c2nn(-c3ccccc3F)cc2[O-])CC1 ZINC000740432885 602453203 /nfs/dbraw/zinc/45/32/03/602453203.db2.gz KUQKGWGULWSUSW-UHFFFAOYSA-N -1 1 391.403 1.133 20 0 GDADMM O=C([O-])NC1(C(=O)NCCCCN2CCN(c3ncccn3)CC2)CCCC1 ZINC000740535009 602475900 /nfs/dbraw/zinc/47/59/00/602475900.db2.gz DWRZLKALKKYNGQ-UHFFFAOYSA-N -1 1 390.488 1.075 20 0 GDADMM COc1ccc(C(C)=O)c(OS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826188317 607573495 /nfs/dbraw/zinc/57/34/95/607573495.db2.gz TYIUMDNDEPTXJI-UHFFFAOYSA-N -1 1 392.368 1.985 20 0 GDADMM CN(C[C@@H]1CCN(CC(=O)N2CCN(Cc3cccs3)CC2)C1)C(=O)[O-] ZINC000739660685 602528702 /nfs/dbraw/zinc/52/87/02/602528702.db2.gz OZBRGHGVZSJNAS-HNNXBMFYSA-N -1 1 380.514 1.324 20 0 GDADMM C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000738628979 602530278 /nfs/dbraw/zinc/53/02/78/602530278.db2.gz FZODGNGQKNUUON-JKSUJKDBSA-N -1 1 390.484 1.782 20 0 GDADMM O=S(=O)(NCc1cccnc1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826492035 607572195 /nfs/dbraw/zinc/57/21/95/607572195.db2.gz PKLOMRNLSLBMRP-UHFFFAOYSA-N -1 1 384.343 1.759 20 0 GDADMM C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737560593 602536986 /nfs/dbraw/zinc/53/69/86/602536986.db2.gz RZZYDLXYKQTMGA-ZBFHGGJFSA-N -1 1 391.468 1.748 20 0 GDADMM CN(C[C@H]1CCN(CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1)C(=O)[O-] ZINC000739662238 602543516 /nfs/dbraw/zinc/54/35/16/602543516.db2.gz XVCLWIAVNNKCGQ-RHSMWYFYSA-N -1 1 379.432 1.657 20 0 GDADMM CN(C[C@H]1CCN(C(=O)Nc2ccccc2N2CCN(C)CC2)C1)C(=O)[O-] ZINC000739735881 602553630 /nfs/dbraw/zinc/55/36/30/602553630.db2.gz GCHOMBALPBKCDZ-OAHLLOKOSA-N -1 1 375.473 1.902 20 0 GDADMM COc1ccc(C(C)=O)c(OS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826188317 607573493 /nfs/dbraw/zinc/57/34/93/607573493.db2.gz TYIUMDNDEPTXJI-UHFFFAOYSA-N -1 1 392.368 1.985 20 0 GDADMM CN(C)[C@H](CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)c1ccco1 ZINC000825849361 607576483 /nfs/dbraw/zinc/57/64/83/607576483.db2.gz KSDFNRLSSNNSPN-LLVKDONJSA-N -1 1 396.860 1.694 20 0 GDADMM COc1ccc(OCCNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826211846 607580385 /nfs/dbraw/zinc/58/03/85/607580385.db2.gz WYXAFVYRFZBVBK-UHFFFAOYSA-N -1 1 393.400 1.372 20 0 GDADMM COc1ccc(OCCNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826211846 607580387 /nfs/dbraw/zinc/58/03/87/607580387.db2.gz WYXAFVYRFZBVBK-UHFFFAOYSA-N -1 1 393.400 1.372 20 0 GDADMM Cc1c(C(=O)NCCCN(C)C(=O)[O-])nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000740042002 602697636 /nfs/dbraw/zinc/69/76/36/602697636.db2.gz XXTLJQNDIDJFFQ-UHFFFAOYSA-N -1 1 386.456 1.293 20 0 GDADMM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)N[C@H](CN1CCN(C)CC1)c1ccccc1 ZINC000739155899 602756006 /nfs/dbraw/zinc/75/60/06/602756006.db2.gz UEYNRKBTRVTVDE-SJLPKXTDSA-N -1 1 389.500 1.369 20 0 GDADMM Cc1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)on1 ZINC000826266004 607588947 /nfs/dbraw/zinc/58/89/47/607588947.db2.gz YCBKRYUFMSEUJC-LBPRGKRZSA-N -1 1 378.389 1.828 20 0 GDADMM C[C@@H]1CN(C(=O)NCc2cccnc2N2CCN(C)CC2)C[C@H](C)N1C(=O)[O-] ZINC000739147612 602895557 /nfs/dbraw/zinc/89/55/57/602895557.db2.gz NRRPHJUYTHLZFC-GASCZTMLSA-N -1 1 390.488 1.116 20 0 GDADMM CN1CCN(c2ncccc2CNC(=O)N[C@H]2CCCCN(C(=O)[O-])C2)CC1 ZINC000739735871 602895568 /nfs/dbraw/zinc/89/55/68/602895568.db2.gz FZUCETHHNZRZMF-INIZCTEOSA-N -1 1 390.488 1.165 20 0 GDADMM C[C@H](COc1cccc(F)c1)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824450317 607593718 /nfs/dbraw/zinc/59/37/18/607593718.db2.gz VDCSWUROCINNKQ-SNVBAGLBSA-N -1 1 395.391 1.891 20 0 GDADMM C[C@H](COc1cccc(F)c1)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824450317 607593720 /nfs/dbraw/zinc/59/37/20/607593720.db2.gz VDCSWUROCINNKQ-SNVBAGLBSA-N -1 1 395.391 1.891 20 0 GDADMM COc1ccccc1[C@H](NC(=O)[O-])C(=O)N1CC[C@H](CN2CCOCC2)C1 ZINC000739963291 602970465 /nfs/dbraw/zinc/97/04/65/602970465.db2.gz JIGRVOSIIXESOH-PBHICJAKSA-N -1 1 377.441 1.185 20 0 GDADMM C[C@H]1CN2CCCC[C@@H]2CN1C(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1 ZINC000739198426 602981524 /nfs/dbraw/zinc/98/15/24/602981524.db2.gz MKPSLEAUFKHVIP-DZGCQCFKSA-N -1 1 376.461 1.292 20 0 GDADMM CN(C)c1cccc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000825880217 607602404 /nfs/dbraw/zinc/60/24/04/607602404.db2.gz ZBFRNJJLCXASEO-UHFFFAOYSA-N -1 1 376.417 1.550 20 0 GDADMM CN(C)c1cccc(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000825880217 607602406 /nfs/dbraw/zinc/60/24/06/607602406.db2.gz ZBFRNJJLCXASEO-UHFFFAOYSA-N -1 1 376.417 1.550 20 0 GDADMM CS(=O)(=O)c1ccc(F)c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826223924 607602707 /nfs/dbraw/zinc/60/27/07/607602707.db2.gz GKWNPCOLZAQSES-UHFFFAOYSA-N -1 1 377.357 1.161 20 0 GDADMM CS(=O)(=O)c1ccc(F)c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826223924 607602709 /nfs/dbraw/zinc/60/27/09/607602709.db2.gz GKWNPCOLZAQSES-UHFFFAOYSA-N -1 1 377.357 1.161 20 0 GDADMM Cn1nnc2cc(C(=O)Nc3ccc(-c4nc(CNC(=O)[O-])n[nH]4)cc3)ccc21 ZINC000740303739 603058620 /nfs/dbraw/zinc/05/86/20/603058620.db2.gz CGJURHUJYQZFDM-UHFFFAOYSA-N -1 1 392.379 1.773 20 0 GDADMM Cn1nnc2cc(C(=O)Nc3ccc(-c4n[nH]c(CNC(=O)[O-])n4)cc3)ccc21 ZINC000740303739 603058624 /nfs/dbraw/zinc/05/86/24/603058624.db2.gz CGJURHUJYQZFDM-UHFFFAOYSA-N -1 1 392.379 1.773 20 0 GDADMM CCCc1nnc([C@H]2CN(C(=O)[C@@H](CNC(=O)[O-])c3ccccc3)CCO2)[nH]1 ZINC000826953219 603077591 /nfs/dbraw/zinc/07/75/91/603077591.db2.gz GFPFKFFNKUGPLE-LSDHHAIUSA-N -1 1 387.440 1.709 20 0 GDADMM CCCc1n[nH]c([C@H]2CN(C(=O)[C@@H](CNC(=O)[O-])c3ccccc3)CCO2)n1 ZINC000826953219 603077595 /nfs/dbraw/zinc/07/75/95/603077595.db2.gz GFPFKFFNKUGPLE-LSDHHAIUSA-N -1 1 387.440 1.709 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCC[C@@H](C2OCCO2)C1 ZINC000826494708 607606173 /nfs/dbraw/zinc/60/61/73/607606173.db2.gz MLBFGCYISQOMRY-SNVBAGLBSA-N -1 1 399.860 1.294 20 0 GDADMM CN(C(=O)[O-])[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(Cc3ccc(C(=O)[O-])cc3)C2=O)C1 ZINC000739582520 603105063 /nfs/dbraw/zinc/10/50/63/603105063.db2.gz BVTYUJHSAJMNNY-GJZGRUSLSA-N -1 1 389.408 1.087 20 0 GDADMM CN(C(=O)[O-])[C@H]1CCC[N@H+]([C@H]2CC(=O)N(Cc3ccc(C(=O)[O-])cc3)C2=O)C1 ZINC000739582520 603105064 /nfs/dbraw/zinc/10/50/64/603105064.db2.gz BVTYUJHSAJMNNY-GJZGRUSLSA-N -1 1 389.408 1.087 20 0 GDADMM CN(C(=O)[O-])[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(Cc3ccc(C(=O)[O-])cc3)C2=O)C1 ZINC000739582524 603105099 /nfs/dbraw/zinc/10/50/99/603105099.db2.gz BVTYUJHSAJMNNY-HUUCEWRRSA-N -1 1 389.408 1.087 20 0 GDADMM CN(C(=O)[O-])[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(Cc3ccc(C(=O)[O-])cc3)C2=O)C1 ZINC000739582524 603105101 /nfs/dbraw/zinc/10/51/01/603105101.db2.gz BVTYUJHSAJMNNY-HUUCEWRRSA-N -1 1 389.408 1.087 20 0 GDADMM O=C(CNC(=O)c1cc2ccccc2[nH]1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826411610 607611422 /nfs/dbraw/zinc/61/14/22/607611422.db2.gz FXWAFFVAVORGJZ-UHFFFAOYSA-N -1 1 377.364 1.216 20 0 GDADMM O=C(CNC(=O)c1cc2ccccc2[nH]1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826411610 607611424 /nfs/dbraw/zinc/61/14/24/607611424.db2.gz FXWAFFVAVORGJZ-UHFFFAOYSA-N -1 1 377.364 1.216 20 0 GDADMM COc1ccc(C2(NS(=O)(=O)c3ccc(F)cc3-c3nn[n-]n3)CC2)cc1 ZINC000826190208 607613230 /nfs/dbraw/zinc/61/32/30/607613230.db2.gz TYGJAKFDNCCPGE-UHFFFAOYSA-N -1 1 389.412 1.982 20 0 GDADMM CN1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)CCNC(=O)[O-])CC1 ZINC000737529122 603221405 /nfs/dbraw/zinc/22/14/05/603221405.db2.gz RRPMRKNKVZGCLK-UHFFFAOYSA-N -1 1 388.390 1.731 20 0 GDADMM Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738921272 603246275 /nfs/dbraw/zinc/24/62/75/603246275.db2.gz GUQFSXFLBRDLBU-VXGBXAGGSA-N -1 1 390.893 1.437 20 0 GDADMM CN1CCN(C[C@H](NC(=O)N[C@H]2CCCN(C(=O)[O-])C2)c2ccccc2)CC1 ZINC000737526512 603265389 /nfs/dbraw/zinc/26/53/89/603265389.db2.gz RBJAHYYYCRBBKG-ROUUACIJSA-N -1 1 389.500 1.417 20 0 GDADMM Cn1nccc1C1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000826366446 607620283 /nfs/dbraw/zinc/62/02/83/607620283.db2.gz IOORNYPCJYHFNE-UHFFFAOYSA-N -1 1 391.432 1.308 20 0 GDADMM Cn1nccc1C1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000826366446 607620284 /nfs/dbraw/zinc/62/02/84/607620284.db2.gz IOORNYPCJYHFNE-UHFFFAOYSA-N -1 1 391.432 1.308 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N(CCO)Cc1ccccc1 ZINC000826496216 607622016 /nfs/dbraw/zinc/62/20/16/607622016.db2.gz OSKJOOAVBBBZPX-UHFFFAOYSA-N -1 1 377.401 1.189 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N(CCO)Cc1ccccc1 ZINC000826496216 607622018 /nfs/dbraw/zinc/62/20/18/607622018.db2.gz OSKJOOAVBBBZPX-UHFFFAOYSA-N -1 1 377.401 1.189 20 0 GDADMM CN(Cc1cccc(NC(=O)NCC(C)(C)N2CCN(C)CC2)c1)C(=O)[O-] ZINC000739733537 603364167 /nfs/dbraw/zinc/36/41/67/603364167.db2.gz DQIHNLLEHBQWNC-UHFFFAOYSA-N -1 1 377.489 1.944 20 0 GDADMM C[C@@H]1CN(CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CC[C@H]1NC(=O)[O-] ZINC000739173005 603413754 /nfs/dbraw/zinc/41/37/54/603413754.db2.gz MPXVLRIYRPQFHV-KBRIMQKVSA-N -1 1 379.432 1.704 20 0 GDADMM CCCc1nc([C@H]2CN(C(=O)NCCCN(C(=O)[O-])C3CC3)CCO2)n[nH]1 ZINC000826953732 603489961 /nfs/dbraw/zinc/48/99/61/603489961.db2.gz KXLAMEISMOKFLX-CYBMUJFWSA-N -1 1 380.449 1.373 20 0 GDADMM CCCc1n[nH]c([C@H]2CN(C(=O)NCCCN(C(=O)[O-])C3CC3)CCO2)n1 ZINC000826953732 603489964 /nfs/dbraw/zinc/48/99/64/603489964.db2.gz KXLAMEISMOKFLX-CYBMUJFWSA-N -1 1 380.449 1.373 20 0 GDADMM CCCc1nc([C@@H]2CN(C(=O)NC3C[C@H]4CC[C@@H](C3)N4C(=O)[O-])CCO2)n[nH]1 ZINC000826954853 603526325 /nfs/dbraw/zinc/52/63/25/603526325.db2.gz VOJCBEPOGNILNQ-GSPSYOTPSA-N -1 1 392.460 1.514 20 0 GDADMM CCCc1n[nH]c([C@@H]2CN(C(=O)NC3C[C@H]4CC[C@@H](C3)N4C(=O)[O-])CCO2)n1 ZINC000826954853 603526329 /nfs/dbraw/zinc/52/63/29/603526329.db2.gz VOJCBEPOGNILNQ-GSPSYOTPSA-N -1 1 392.460 1.514 20 0 GDADMM O=S(=O)(N[C@H](CCO)C1CCCCC1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826487392 607634646 /nfs/dbraw/zinc/63/46/46/607634646.db2.gz NIFMDZRLVNGHKF-CYBMUJFWSA-N -1 1 383.449 1.615 20 0 GDADMM O=S(=O)(N[C@H](CCO)C1CCCCC1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826487392 607634648 /nfs/dbraw/zinc/63/46/48/607634648.db2.gz NIFMDZRLVNGHKF-CYBMUJFWSA-N -1 1 383.449 1.615 20 0 GDADMM CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000828042757 603562123 /nfs/dbraw/zinc/56/21/23/603562123.db2.gz PACCSDCCLSURBA-GFCCVEGCSA-N -1 1 377.445 1.311 20 0 GDADMM C[C@@H]1CN(C(=O)Nc2cc(C(N)=O)ccc2CN(C)C)C[C@H](C)N1C(=O)[O-] ZINC000826007386 603562227 /nfs/dbraw/zinc/56/22/27/603562227.db2.gz IJZBZXAZAAKKIR-TXEJJXNPSA-N -1 1 377.445 1.452 20 0 GDADMM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000824197281 603617792 /nfs/dbraw/zinc/61/77/92/603617792.db2.gz VBSCMSVZFFCPJP-INIZCTEOSA-N -1 1 392.504 1.315 20 0 GDADMM CCN1CCN(c2ccc(CNC(=O)C3(CNC(=O)[O-])CCCC3)cn2)CC1 ZINC000827228042 603634089 /nfs/dbraw/zinc/63/40/89/603634089.db2.gz KNCDZEWPVOTPAY-UHFFFAOYSA-N -1 1 389.500 1.668 20 0 GDADMM O=C([O-])NC[C@H](NC(=O)N1CCN(C[C@@H]2CCOC2)CC1)C1CCCCC1 ZINC000832420883 603656074 /nfs/dbraw/zinc/65/60/74/603656074.db2.gz HXULDETXPOKSBF-RDJZCZTQSA-N -1 1 382.505 1.567 20 0 GDADMM C[C@H](O)CN(Cc1ccccc1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824706093 607643476 /nfs/dbraw/zinc/64/34/76/607643476.db2.gz GNWPAGIWJCHSRH-LBPRGKRZSA-N -1 1 391.428 1.578 20 0 GDADMM C[C@H](O)CN(Cc1ccccc1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824706093 607643477 /nfs/dbraw/zinc/64/34/77/607643477.db2.gz GNWPAGIWJCHSRH-LBPRGKRZSA-N -1 1 391.428 1.578 20 0 GDADMM C[C@@H]1CCCN(C(=O)CCNC(=O)c2n[nH]c3ccccc32)[C@H]1CNC(=O)[O-] ZINC000825906896 603685059 /nfs/dbraw/zinc/68/50/59/603685059.db2.gz UUUVRCORRDSKHD-DOMZBBRYSA-N -1 1 387.440 1.578 20 0 GDADMM C[C@@H](CCc1cccn1C)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824412574 607647987 /nfs/dbraw/zinc/64/79/87/607647987.db2.gz BEBWVWJEYIFWIB-NSHDSACASA-N -1 1 378.433 1.644 20 0 GDADMM CN(C[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(-c3ccncc3)n2)C1)C(=O)[O-] ZINC000828174272 603748368 /nfs/dbraw/zinc/74/83/68/603748368.db2.gz CPCBRRAUTFAJKT-ZDUSSCGKSA-N -1 1 386.412 1.054 20 0 GDADMM CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN(C)C1CCC(NC(=O)[O-])CC1 ZINC000823532475 603781277 /nfs/dbraw/zinc/78/12/77/603781277.db2.gz KPOACLNXVYYESF-DAWZGUTISA-N -1 1 375.469 1.814 20 0 GDADMM C[C@H](CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)Oc1ccccc1F ZINC000824429834 607650030 /nfs/dbraw/zinc/65/00/30/607650030.db2.gz ZFFSPDLSFMFDPS-SNVBAGLBSA-N -1 1 395.391 1.891 20 0 GDADMM CCN(CCCO)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825419102 607656052 /nfs/dbraw/zinc/65/60/52/607656052.db2.gz GZLSONQTSUVTAS-UHFFFAOYSA-N -1 1 379.364 1.279 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCC[C@@H](n2cncn2)C1 ZINC000826495577 607656835 /nfs/dbraw/zinc/65/68/35/607656835.db2.gz UJMSTRHTBYFKLL-SNVBAGLBSA-N -1 1 394.848 1.137 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCC[C@@H](n2cncn2)C1 ZINC000826495577 607656836 /nfs/dbraw/zinc/65/68/36/607656836.db2.gz UJMSTRHTBYFKLL-SNVBAGLBSA-N -1 1 394.848 1.137 20 0 GDADMM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)[C@H](C)NC(=O)c1n[nH]c2ccccc21 ZINC000824183159 603940303 /nfs/dbraw/zinc/94/03/03/603940303.db2.gz OPPWXQOOLPCCLB-RYUDHWBXSA-N -1 1 375.429 1.480 20 0 GDADMM C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)[C@@H](O)c1cccc(F)c1 ZINC000824640130 607662013 /nfs/dbraw/zinc/66/20/13/607662013.db2.gz AUFZLEKDDXOSGE-BJOHPYRUSA-N -1 1 395.391 1.545 20 0 GDADMM C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)[C@@H](O)c1cccc(F)c1 ZINC000824640130 607662015 /nfs/dbraw/zinc/66/20/15/607662015.db2.gz AUFZLEKDDXOSGE-BJOHPYRUSA-N -1 1 395.391 1.545 20 0 GDADMM C[C@@H](Cc1ccncc1)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824465671 607663916 /nfs/dbraw/zinc/66/39/16/607663916.db2.gz RGOYBOWKEMGCSR-JTQLQIEISA-N -1 1 378.845 1.825 20 0 GDADMM C[C@@H](Cc1ccncc1)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824465671 607663918 /nfs/dbraw/zinc/66/39/18/607663918.db2.gz RGOYBOWKEMGCSR-JTQLQIEISA-N -1 1 378.845 1.825 20 0 GDADMM COc1cccc(NC(=O)CN(C)C(=O)CN(C)C2CCN(C(=O)[O-])CC2)c1 ZINC000829569353 603982544 /nfs/dbraw/zinc/98/25/44/603982544.db2.gz BVGXQNGMJGLTKK-UHFFFAOYSA-N -1 1 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MSWPGKDFBYWAPA-KZNAEPCWSA-N -1 1 390.484 1.215 20 0 GDADMM O=C([O-])N1CCC(n2cccc2C(=O)Nc2nc(SCCO)n[nH]2)CC1 ZINC000834057589 605951999 /nfs/dbraw/zinc/95/19/99/605951999.db2.gz FPEJMWATFJKYPK-UHFFFAOYSA-N -1 1 380.430 1.258 20 0 GDADMM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2C(=O)CCN1CCN(c2ccccn2)CC1 ZINC000834094638 605985380 /nfs/dbraw/zinc/98/53/80/605985380.db2.gz PEGHFPHMDIZJAF-SJORKVTESA-N -1 1 387.484 1.337 20 0 GDADMM O=C([O-])N[C@H]1CCc2ncc(NS(=O)(=O)c3ccc4c(c3)CCO4)cc2C1 ZINC000834195138 606080107 /nfs/dbraw/zinc/08/01/07/606080107.db2.gz XIQYNTIELGYKET-ZDUSSCGKSA-N -1 1 389.433 1.942 20 0 GDADMM COC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)c1ccc(C)o1 ZINC000821683763 606114778 /nfs/dbraw/zinc/11/47/78/606114778.db2.gz JSWBHTRZOCSXSI-LLVKDONJSA-N -1 1 390.425 1.708 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCOc2ccncc21 ZINC000822004494 606120442 /nfs/dbraw/zinc/12/04/42/606120442.db2.gz IGRTZOWVBHTUIS-UHFFFAOYSA-N -1 1 381.396 1.337 20 0 GDADMM COC1CCC(CNC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)CC1 ZINC000821679830 606128477 /nfs/dbraw/zinc/12/84/77/606128477.db2.gz NYLDYUOSLBYSSZ-UHFFFAOYSA-N -1 1 378.458 1.624 20 0 GDADMM CS(=O)(=O)Nc1ccc(COC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821937364 606139540 /nfs/dbraw/zinc/13/95/40/606139540.db2.gz LXVITRRWCHKTFK-UHFFFAOYSA-N -1 1 379.423 1.657 20 0 GDADMM CS(=O)(=O)Nc1ccc(COC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821937364 606139542 /nfs/dbraw/zinc/13/95/42/606139542.db2.gz LXVITRRWCHKTFK-UHFFFAOYSA-N -1 1 379.423 1.657 20 0 GDADMM COCc1ccccc1CNC(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821695638 606139554 /nfs/dbraw/zinc/13/95/54/606139554.db2.gz AUZLAPKTKBBPSS-UHFFFAOYSA-N -1 1 387.421 1.548 20 0 GDADMM COCc1ccccc1CNC(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821695638 606139556 /nfs/dbraw/zinc/13/95/56/606139556.db2.gz AUZLAPKTKBBPSS-UHFFFAOYSA-N -1 1 387.421 1.548 20 0 GDADMM CO[C@@H](C)C(=O)Nc1cccc(NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC000821673399 606155841 /nfs/dbraw/zinc/15/58/41/606155841.db2.gz ADWJNBPWCAGSTD-VIFPVBQESA-N -1 1 385.388 1.218 20 0 GDADMM CO[C@@H](C)C(=O)Nc1cccc(NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC000821673399 606155843 /nfs/dbraw/zinc/15/58/43/606155843.db2.gz ADWJNBPWCAGSTD-VIFPVBQESA-N -1 1 385.388 1.218 20 0 GDADMM CC(C)c1nc([C@@H]2CCCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)C2)no1 ZINC000820202505 606158286 /nfs/dbraw/zinc/15/82/86/606158286.db2.gz ITGOMYLRLYLHFT-SNVBAGLBSA-N -1 1 386.420 1.518 20 0 GDADMM CC(C)c1nc([C@@H]2CCCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)C2)no1 ZINC000820202505 606158288 /nfs/dbraw/zinc/15/82/88/606158288.db2.gz ITGOMYLRLYLHFT-SNVBAGLBSA-N -1 1 386.420 1.518 20 0 GDADMM COc1ccc([C@H]2CCCN2C(=O)Nc2nn(C)cc2-c2nnn[n-]2)c(OC)c1 ZINC000821782496 606158797 /nfs/dbraw/zinc/15/87/97/606158797.db2.gz GBCOALMYJGSXMZ-CQSZACIVSA-N -1 1 398.427 1.986 20 0 GDADMM COc1ccc([C@H]2CCCN2C(=O)Nc2nn(C)cc2-c2nn[n-]n2)c(OC)c1 ZINC000821782496 606158799 /nfs/dbraw/zinc/15/87/99/606158799.db2.gz GBCOALMYJGSXMZ-CQSZACIVSA-N -1 1 398.427 1.986 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)n1 ZINC000822614725 606159497 /nfs/dbraw/zinc/15/94/97/606159497.db2.gz QGSYBAKWONNIFT-SNVBAGLBSA-N -1 1 397.226 1.762 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)n1 ZINC000822614725 606159499 /nfs/dbraw/zinc/15/94/99/606159499.db2.gz QGSYBAKWONNIFT-SNVBAGLBSA-N -1 1 397.226 1.762 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCCc2nc3c(s2)CCCC3)n1 ZINC000822613586 606167417 /nfs/dbraw/zinc/16/74/17/606167417.db2.gz DKYYENPOJDIRFB-UHFFFAOYSA-N -1 1 387.473 1.690 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCCc2nc3c(s2)CCCC3)n1 ZINC000822613586 606167419 /nfs/dbraw/zinc/16/74/19/606167419.db2.gz DKYYENPOJDIRFB-UHFFFAOYSA-N -1 1 387.473 1.690 20 0 GDADMM Cc1csc(N2CCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)C[C@@H]2C)n1 ZINC000822414412 606171211 /nfs/dbraw/zinc/17/12/11/606171211.db2.gz DXDASKSFBYUOMA-JTQLQIEISA-N -1 1 388.461 1.108 20 0 GDADMM Cc1csc(N2CCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)C[C@@H]2C)n1 ZINC000822414412 606171212 /nfs/dbraw/zinc/17/12/12/606171212.db2.gz DXDASKSFBYUOMA-JTQLQIEISA-N -1 1 388.461 1.108 20 0 GDADMM CCOc1ccc(C(=O)NCC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1 ZINC000821417528 606195202 /nfs/dbraw/zinc/19/52/02/606195202.db2.gz NPXZRZRFOGUMSE-UHFFFAOYSA-N -1 1 382.380 1.340 20 0 GDADMM CC(C)N1C(=S)N=NC1CCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000820211292 606240409 /nfs/dbraw/zinc/24/04/09/606240409.db2.gz HAVRQDZOLPBUFS-UHFFFAOYSA-N -1 1 382.457 1.926 20 0 GDADMM CC(C)N1C(=S)N=NC1CCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000820211292 606240411 /nfs/dbraw/zinc/24/04/11/606240411.db2.gz HAVRQDZOLPBUFS-UHFFFAOYSA-N -1 1 382.457 1.926 20 0 GDADMM C[C@@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])n1nnc(-c2ccccc2)n1 ZINC000819865757 606294119 /nfs/dbraw/zinc/29/41/19/606294119.db2.gz HFURSNVBCQXZPR-JTQLQIEISA-N -1 1 377.368 1.426 20 0 GDADMM CC1CCC(N2C[C@@H](C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])CC2=O)CC1 ZINC000820690534 606296116 /nfs/dbraw/zinc/29/61/16/606296116.db2.gz NPPSYZHKMCKLHB-QRMWWUJWSA-N -1 1 384.440 1.938 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cc(N2CCNC2=O)ccc1F ZINC000823294498 606297181 /nfs/dbraw/zinc/29/71/81/606297181.db2.gz DAFACZZGCLRWQH-UHFFFAOYSA-N -1 1 383.343 1.493 20 0 GDADMM CCOC(=O)C1CCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)CC1 ZINC000821325571 606413900 /nfs/dbraw/zinc/41/39/00/606413900.db2.gz GMOLCSUEDCYFQK-UHFFFAOYSA-N -1 1 398.423 1.974 20 0 GDADMM CCOC(=O)C1CCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)CC1 ZINC000821325571 606413903 /nfs/dbraw/zinc/41/39/03/606413903.db2.gz GMOLCSUEDCYFQK-UHFFFAOYSA-N -1 1 398.423 1.974 20 0 GDADMM O=C1CCC(c2ccc([N-]S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)cc2)=NN1 ZINC000823525274 606430932 /nfs/dbraw/zinc/43/09/32/606430932.db2.gz KCHCYXMLHNLLRJ-UHFFFAOYSA-N -1 1 397.420 1.282 20 0 GDADMM COC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736911839 606434574 /nfs/dbraw/zinc/43/45/74/606434574.db2.gz XJHCOICZUJQTJD-SNVBAGLBSA-N -1 1 385.833 1.236 20 0 GDADMM COC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736911839 606434576 /nfs/dbraw/zinc/43/45/76/606434576.db2.gz XJHCOICZUJQTJD-SNVBAGLBSA-N -1 1 385.833 1.236 20 0 GDADMM Cc1ccc2c(CCNS(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)c[nH]c2c1 ZINC000822275638 606435729 /nfs/dbraw/zinc/43/57/29/606435729.db2.gz XOSUXWSYYBLWBQ-UHFFFAOYSA-N -1 1 383.437 1.572 20 0 GDADMM Cc1ccc2c(CCNS(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)c[nH]c2c1 ZINC000822275638 606435730 /nfs/dbraw/zinc/43/57/30/606435730.db2.gz XOSUXWSYYBLWBQ-UHFFFAOYSA-N -1 1 383.437 1.572 20 0 GDADMM COc1ccc2nc(N(C)CCCc3[nH]nc(N)c3-c3nn[n-]n3)ccc2c1 ZINC000821854168 606443300 /nfs/dbraw/zinc/44/33/00/606443300.db2.gz HBIRKAUMKATTOG-UHFFFAOYSA-N -1 1 379.428 1.798 20 0 GDADMM COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821665964 606490556 /nfs/dbraw/zinc/49/05/56/606490556.db2.gz NWONDGHKEFVZHH-CYBMUJFWSA-N -1 1 396.432 1.924 20 0 GDADMM COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821665964 606490558 /nfs/dbraw/zinc/49/05/58/606490558.db2.gz NWONDGHKEFVZHH-CYBMUJFWSA-N -1 1 396.432 1.924 20 0 GDADMM COc1cc(OC)c(OC)cc1CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821723958 606495390 /nfs/dbraw/zinc/49/53/90/606495390.db2.gz NMKBMJZAXHTXDR-UHFFFAOYSA-N -1 1 375.410 1.884 20 0 GDADMM COc1cc(OC)c(OC)cc1CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821723958 606495392 /nfs/dbraw/zinc/49/53/92/606495392.db2.gz NMKBMJZAXHTXDR-UHFFFAOYSA-N -1 1 375.410 1.884 20 0 GDADMM CNS(=O)(=O)c1ccc(C)c(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821637533 606526476 /nfs/dbraw/zinc/52/64/76/606526476.db2.gz KDERCFFPBUCBCO-UHFFFAOYSA-N -1 1 378.439 1.397 20 0 GDADMM CNS(=O)(=O)c1ccc(C)c(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821637533 606526478 /nfs/dbraw/zinc/52/64/78/606526478.db2.gz KDERCFFPBUCBCO-UHFFFAOYSA-N -1 1 378.439 1.397 20 0 GDADMM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)s1)N1CCN(c2ccccc2)CC1 ZINC000823161282 606538777 /nfs/dbraw/zinc/53/87/77/606538777.db2.gz LVGZULPRLCCUIZ-UHFFFAOYSA-N -1 1 397.464 1.007 20 0 GDADMM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)s1)N1CCN(c2ccccc2)CC1 ZINC000823161282 606538779 /nfs/dbraw/zinc/53/87/79/606538779.db2.gz LVGZULPRLCCUIZ-UHFFFAOYSA-N -1 1 397.464 1.007 20 0 GDADMM COc1cc(CC2CN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)C2)cc(OC)c1 ZINC000821712114 606580065 /nfs/dbraw/zinc/58/00/65/606580065.db2.gz CZDXKYQAQFFHPZ-UHFFFAOYSA-N -1 1 398.427 1.324 20 0 GDADMM COc1cc(CC2CN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)C2)cc(OC)c1 ZINC000821712114 606580067 /nfs/dbraw/zinc/58/00/67/606580067.db2.gz CZDXKYQAQFFHPZ-UHFFFAOYSA-N -1 1 398.427 1.324 20 0 GDADMM CN1CCC(=O)Nc2cc(C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])ccc21 ZINC000821622111 606600287 /nfs/dbraw/zinc/60/02/87/606600287.db2.gz SFGBNBISZNWVHK-UHFFFAOYSA-N -1 1 379.380 1.603 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H](C)CO[C@@H]1CCOC1 ZINC000822535103 606626105 /nfs/dbraw/zinc/62/61/05/606626105.db2.gz GQAVADXCKQWUFH-WCQYABFASA-N -1 1 386.412 1.483 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H](C)CO[C@@H]1CCOC1 ZINC000822535103 606626106 /nfs/dbraw/zinc/62/61/06/606626106.db2.gz GQAVADXCKQWUFH-WCQYABFASA-N -1 1 386.412 1.483 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000823436528 606648452 /nfs/dbraw/zinc/64/84/52/606648452.db2.gz ZQHTWXYRMBWWNA-CQSZACIVSA-N -1 1 382.355 1.497 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000823436528 606648453 /nfs/dbraw/zinc/64/84/53/606648453.db2.gz ZQHTWXYRMBWWNA-CQSZACIVSA-N -1 1 382.355 1.497 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000823436336 606649852 /nfs/dbraw/zinc/64/98/52/606649852.db2.gz QJNBYDYKDQVBHI-ZIAGYGMSSA-N -1 1 379.376 1.880 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000823436336 606649853 /nfs/dbraw/zinc/64/98/53/606649853.db2.gz QJNBYDYKDQVBHI-ZIAGYGMSSA-N -1 1 379.376 1.880 20 0 GDADMM CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000819933453 606652232 /nfs/dbraw/zinc/65/22/32/606652232.db2.gz RZYGBVIIHRJZJF-GFCCVEGCSA-N -1 1 392.441 1.615 20 0 GDADMM CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000819933453 606652233 /nfs/dbraw/zinc/65/22/33/606652233.db2.gz RZYGBVIIHRJZJF-GFCCVEGCSA-N -1 1 392.441 1.615 20 0 GDADMM CC(=O)Nc1cc(NC(C)=O)cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000819810561 606653200 /nfs/dbraw/zinc/65/32/00/606653200.db2.gz NAIZDEKMMTXCPW-UHFFFAOYSA-N -1 1 395.379 1.536 20 0 GDADMM CC(=O)Nc1cc(NC(C)=O)cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000819810561 606653201 /nfs/dbraw/zinc/65/32/01/606653201.db2.gz NAIZDEKMMTXCPW-UHFFFAOYSA-N -1 1 395.379 1.536 20 0 GDADMM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(c2cccc(-c3nnn[n-]3)n2)CCO1 ZINC000820384370 606727027 /nfs/dbraw/zinc/72/70/27/606727027.db2.gz CMDQWIBWDZBDCT-YPMHNXCESA-N -1 1 375.433 1.380 20 0 GDADMM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(c2cccc(-c3nn[n-]n3)n2)CCO1 ZINC000820384370 606727028 /nfs/dbraw/zinc/72/70/28/606727028.db2.gz CMDQWIBWDZBDCT-YPMHNXCESA-N -1 1 375.433 1.380 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cn2ccccc2n1 ZINC000820803805 606780923 /nfs/dbraw/zinc/78/09/23/606780923.db2.gz HMVKEYCVCMTITC-ZDUSSCGKSA-N -1 1 376.428 1.015 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1cn2ccccc2n1 ZINC000820803805 606780926 /nfs/dbraw/zinc/78/09/26/606780926.db2.gz HMVKEYCVCMTITC-ZDUSSCGKSA-N -1 1 376.428 1.015 20 0 GDADMM C[C@@H](Cc1ccco1)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820301686 606786809 /nfs/dbraw/zinc/78/68/09/606786809.db2.gz ZGZHPZDZDZKUPR-STQMWFEESA-N -1 1 397.443 1.101 20 0 GDADMM C[C@@H](Cc1ccco1)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820301686 606786811 /nfs/dbraw/zinc/78/68/11/606786811.db2.gz ZGZHPZDZDZKUPR-STQMWFEESA-N -1 1 397.443 1.101 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCC1CCCCC1 ZINC000820788712 606788306 /nfs/dbraw/zinc/78/83/06/606788306.db2.gz MTBCXCHMFBLXHQ-CQSZACIVSA-N -1 1 399.503 1.847 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCC1CCCCC1 ZINC000820788712 606788308 /nfs/dbraw/zinc/78/83/08/606788308.db2.gz MTBCXCHMFBLXHQ-CQSZACIVSA-N -1 1 399.503 1.847 20 0 GDADMM CSC(C)(C)CNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821943039 606794724 /nfs/dbraw/zinc/79/47/24/606794724.db2.gz SGPUZDPMMHXLNP-NSHDSACASA-N -1 1 391.505 1.018 20 0 GDADMM CSC(C)(C)CNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821943039 606794726 /nfs/dbraw/zinc/79/47/26/606794726.db2.gz SGPUZDPMMHXLNP-NSHDSACASA-N -1 1 391.505 1.018 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1nccc(C(F)(F)F)n1 ZINC000820804494 606807271 /nfs/dbraw/zinc/80/72/71/606807271.db2.gz TUWDUZPRIPZHRK-SECBINFHSA-N -1 1 392.349 1.181 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1nccc(C(F)(F)F)n1 ZINC000820804494 606807273 /nfs/dbraw/zinc/80/72/73/606807273.db2.gz TUWDUZPRIPZHRK-SECBINFHSA-N -1 1 392.349 1.181 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@@H](C)C1CCOCC1 ZINC000822459134 606814126 /nfs/dbraw/zinc/81/41/26/606814126.db2.gz MZVLPVUFRBQVJV-NSHDSACASA-N -1 1 398.471 1.390 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@@H](C)C1CCOCC1 ZINC000822459134 606814128 /nfs/dbraw/zinc/81/41/28/606814128.db2.gz MZVLPVUFRBQVJV-NSHDSACASA-N -1 1 398.471 1.390 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CC[C@@H](Oc3cccnc3)C2)cc1-c1nn[n-]n1 ZINC000821970214 606819189 /nfs/dbraw/zinc/81/91/89/606819189.db2.gz LMYPYQURFSSHNL-LLVKDONJSA-N -1 1 399.436 1.378 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1coc2ccccc12 ZINC000820788608 606821909 /nfs/dbraw/zinc/82/19/09/606821909.db2.gz KMXUTAHZOBJAFL-LBPRGKRZSA-N -1 1 390.407 1.754 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1coc2ccccc12 ZINC000820788608 606821910 /nfs/dbraw/zinc/82/19/10/606821910.db2.gz KMXUTAHZOBJAFL-LBPRGKRZSA-N -1 1 390.407 1.754 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CC[C@H]1CCCCO1 ZINC000820778497 606821916 /nfs/dbraw/zinc/82/19/16/606821916.db2.gz XSRQCAIQMFJHLR-UONOGXRCSA-N -1 1 386.460 1.043 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CC[C@H]1CCCCO1 ZINC000820778497 606821918 /nfs/dbraw/zinc/82/19/18/606821918.db2.gz XSRQCAIQMFJHLR-UONOGXRCSA-N -1 1 386.460 1.043 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CC[C@@H]1CCCCO1 ZINC000820778496 606822090 /nfs/dbraw/zinc/82/20/90/606822090.db2.gz XSRQCAIQMFJHLR-KGLIPLIRSA-N -1 1 386.460 1.043 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CC[C@@H]1CCCCO1 ZINC000820778496 606822092 /nfs/dbraw/zinc/82/20/92/606822092.db2.gz XSRQCAIQMFJHLR-KGLIPLIRSA-N -1 1 386.460 1.043 20 0 GDADMM CCc1ccc(CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cc1 ZINC000821480999 606822386 /nfs/dbraw/zinc/82/23/86/606822386.db2.gz HFVGPNAJBPPXON-AWEZNQCLSA-N -1 1 392.467 1.499 20 0 GDADMM CCc1ccc(CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cc1 ZINC000821480999 606822387 /nfs/dbraw/zinc/82/23/87/606822387.db2.gz HFVGPNAJBPPXON-AWEZNQCLSA-N -1 1 392.467 1.499 20 0 GDADMM COc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cc1F ZINC000821769114 606822758 /nfs/dbraw/zinc/82/27/58/606822758.db2.gz DDUNCRBHIXBINY-LLVKDONJSA-N -1 1 398.402 1.155 20 0 GDADMM COc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cc1F ZINC000821769114 606822760 /nfs/dbraw/zinc/82/27/60/606822760.db2.gz DDUNCRBHIXBINY-LLVKDONJSA-N -1 1 398.402 1.155 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCc1cn2cccnc2n1 ZINC000822540941 606828969 /nfs/dbraw/zinc/82/89/69/606828969.db2.gz HNLAGZMKBPFFIQ-UHFFFAOYSA-N -1 1 390.363 1.959 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCc1cn2cccnc2n1 ZINC000822540941 606828971 /nfs/dbraw/zinc/82/89/71/606828971.db2.gz HNLAGZMKBPFFIQ-UHFFFAOYSA-N -1 1 390.363 1.959 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCc1cn2cccnc2n1 ZINC000822010106 606829214 /nfs/dbraw/zinc/82/92/14/606829214.db2.gz NPHVPTQDGBBFKI-UHFFFAOYSA-N -1 1 394.395 1.303 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cccc(Cl)n1 ZINC000820789264 606831357 /nfs/dbraw/zinc/83/13/57/606831357.db2.gz ZBZHRIJFGPYDAF-SNVBAGLBSA-N -1 1 385.819 1.056 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cccc(Cl)n1 ZINC000820789264 606831359 /nfs/dbraw/zinc/83/13/59/606831359.db2.gz ZBZHRIJFGPYDAF-SNVBAGLBSA-N -1 1 385.819 1.056 20 0 GDADMM Cc1ccc(F)cc1NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000822241144 606831959 /nfs/dbraw/zinc/83/19/59/606831959.db2.gz MENSKTMXQQNPTF-GFCCVEGCSA-N -1 1 397.418 1.847 20 0 GDADMM Cc1ccc(F)cc1NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000822241144 606831961 /nfs/dbraw/zinc/83/19/61/606831961.db2.gz MENSKTMXQQNPTF-GFCCVEGCSA-N -1 1 397.418 1.847 20 0 GDADMM CCCn1cc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cn1 ZINC000821147510 606836151 /nfs/dbraw/zinc/83/61/51/606836151.db2.gz HGQXMPAJMXMMAC-LBPRGKRZSA-N -1 1 397.447 1.006 20 0 GDADMM CCCn1cc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cn1 ZINC000821147510 606836152 /nfs/dbraw/zinc/83/61/52/606836152.db2.gz HGQXMPAJMXMMAC-LBPRGKRZSA-N -1 1 397.447 1.006 20 0 GDADMM CC(C)(C)OC(=O)NCC(C)(C)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000819940203 606840329 /nfs/dbraw/zinc/84/03/29/606840329.db2.gz SFDOREUVDRQYSZ-UHFFFAOYSA-N -1 1 376.417 1.856 20 0 GDADMM CC(C)(C)OC(=O)NCC(C)(C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000819940203 606840330 /nfs/dbraw/zinc/84/03/30/606840330.db2.gz SFDOREUVDRQYSZ-UHFFFAOYSA-N -1 1 376.417 1.856 20 0 GDADMM CC[C@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1ccccc1 ZINC000820843386 606854894 /nfs/dbraw/zinc/85/48/94/606854894.db2.gz XHKDUHWJCJNJTD-ZBFHGGJFSA-N -1 1 392.467 1.888 20 0 GDADMM CC[C@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1ccccc1 ZINC000820843386 606854895 /nfs/dbraw/zinc/85/48/95/606854895.db2.gz XHKDUHWJCJNJTD-ZBFHGGJFSA-N -1 1 392.467 1.888 20 0 GDADMM Cc1cc(S(=O)(=O)Nc2cc(-c3nn[nH]n3)ccc2O)cc(C(=O)[O-])c1F ZINC000822211820 606870446 /nfs/dbraw/zinc/87/04/46/606870446.db2.gz PQKRECBZBCCOIY-UHFFFAOYSA-N -1 1 393.356 1.519 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000735633397 606876429 /nfs/dbraw/zinc/87/64/29/606876429.db2.gz PWRMKCJTNDKXCI-LLVKDONJSA-N -1 1 382.428 1.913 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000735633397 606876430 /nfs/dbraw/zinc/87/64/30/606876430.db2.gz PWRMKCJTNDKXCI-LLVKDONJSA-N -1 1 382.428 1.913 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)NC[C@@H](O)C(F)(F)F)c1-c1nn[n-]n1 ZINC000821990515 606907802 /nfs/dbraw/zinc/90/78/02/606907802.db2.gz UBUNMWBLMOAGPC-SECBINFHSA-N -1 1 388.375 1.514 20 0 GDADMM CC(C)n1nccc1C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000820214448 606994751 /nfs/dbraw/zinc/99/47/51/606994751.db2.gz BWWRJIMZUJVWOV-UHFFFAOYSA-N -1 1 397.443 1.472 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC[C@H](OCC(C)C)C1 ZINC000822004726 607054230 /nfs/dbraw/zinc/05/42/30/607054230.db2.gz KGKGVHLYUDREPB-AWEZNQCLSA-N -1 1 388.472 1.790 20 0 GDADMM COC(=O)C(C)(C)[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000821637418 607075945 /nfs/dbraw/zinc/07/59/45/607075945.db2.gz FKEPQVLYNBFTHT-OAHLLOKOSA-N -1 1 380.408 1.932 20 0 GDADMM COC(=O)C(C)(C)[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000821637418 607075946 /nfs/dbraw/zinc/07/59/46/607075946.db2.gz FKEPQVLYNBFTHT-OAHLLOKOSA-N -1 1 380.408 1.932 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000822006278 607096700 /nfs/dbraw/zinc/09/67/00/607096700.db2.gz ZYTUPGKUJKVJCC-CYBMUJFWSA-N -1 1 382.428 1.434 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(C)C1CCC(CO)CC1 ZINC000822006258 607099073 /nfs/dbraw/zinc/09/90/73/607099073.db2.gz ZKQKUKLCOXOWGQ-UHFFFAOYSA-N -1 1 388.472 1.526 20 0 GDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000823379662 607103630 /nfs/dbraw/zinc/10/36/30/607103630.db2.gz CSKIPKJUJTZZFU-SSDOTTSWSA-N -1 1 391.363 1.593 20 0 GDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000823379662 607103632 /nfs/dbraw/zinc/10/36/32/607103632.db2.gz CSKIPKJUJTZZFU-SSDOTTSWSA-N -1 1 391.363 1.593 20 0 GDADMM CN1CCc2ccc([N-]S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)cc2C1=O ZINC000821630260 607155675 /nfs/dbraw/zinc/15/56/75/607155675.db2.gz RDLHIOFPEIPPFI-UHFFFAOYSA-N -1 1 384.421 1.296 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@H]1CCCC[C@H]1CO ZINC000822459738 607186319 /nfs/dbraw/zinc/18/63/19/607186319.db2.gz UWGHWEVRCNNPDS-BBRMVZONSA-N -1 1 398.471 1.126 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@H]1CCCC[C@H]1CO ZINC000822459738 607186320 /nfs/dbraw/zinc/18/63/20/607186320.db2.gz UWGHWEVRCNNPDS-BBRMVZONSA-N -1 1 398.471 1.126 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCc1nc2cc(Cl)ccc2s1 ZINC000823131668 607206073 /nfs/dbraw/zinc/20/60/73/607206073.db2.gz LREBUSRJJXVMAF-UHFFFAOYSA-N -1 1 389.832 1.080 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccc(OCc2cccnc2)c1 ZINC000823136364 607209275 /nfs/dbraw/zinc/20/92/75/607209275.db2.gz XSCSVRIUDLWAOD-UHFFFAOYSA-N -1 1 377.368 1.071 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000823123198 607209358 /nfs/dbraw/zinc/20/93/58/607209358.db2.gz RQBPGXXKFBDQNK-JTQLQIEISA-N -1 1 390.810 1.484 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000823127193 607220644 /nfs/dbraw/zinc/22/06/44/607220644.db2.gz WKDLQZGWJMIHCM-UHFFFAOYSA-N -1 1 392.345 1.673 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000823136035 607221750 /nfs/dbraw/zinc/22/17/50/607221750.db2.gz GVXMZEVEMHXTLI-UHFFFAOYSA-N -1 1 395.427 1.616 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CC(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000823122524 607222307 /nfs/dbraw/zinc/22/23/07/607222307.db2.gz DXCKGFCIIHTUQV-UHFFFAOYSA-N -1 1 392.345 1.178 20 0 GDADMM Cc1ccc(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c(Oc2ccccc2)c1 ZINC000822237561 607222358 /nfs/dbraw/zinc/22/23/58/607222358.db2.gz ZSUWULLISISSEQ-UHFFFAOYSA-N -1 1 390.407 1.875 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCCOc1ccc2ccccc2c1 ZINC000823131263 607224743 /nfs/dbraw/zinc/22/47/43/607224743.db2.gz DREXARJCOQEYKA-UHFFFAOYSA-N -1 1 378.396 1.197 20 0 GDADMM CC(=O)N1CC[C@@H](CN(C)C(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)C1 ZINC000823973193 607854402 /nfs/dbraw/zinc/85/44/02/607854402.db2.gz JEIMHVOEOADURP-AWEZNQCLSA-N -1 1 397.439 1.499 20 0 GDADMM CC(=O)N1CC[C@@H](CN(C)C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)C1 ZINC000823973193 607854403 /nfs/dbraw/zinc/85/44/03/607854403.db2.gz JEIMHVOEOADURP-AWEZNQCLSA-N -1 1 397.439 1.499 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)c1ccc2c(c1)CC(=O)N2C ZINC000824722948 607856342 /nfs/dbraw/zinc/85/63/42/607856342.db2.gz KOUUDAMIDUDGGE-JTQLQIEISA-N -1 1 392.375 1.209 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)c1ccc2c(c1)CC(=O)N2C ZINC000824722948 607856343 /nfs/dbraw/zinc/85/63/43/607856343.db2.gz KOUUDAMIDUDGGE-JTQLQIEISA-N -1 1 392.375 1.209 20 0 GDADMM CCc1ccccc1NC(=O)CNC(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000825723308 607865014 /nfs/dbraw/zinc/86/50/14/607865014.db2.gz XDVBSIDJADXBHW-UHFFFAOYSA-N -1 1 398.398 1.702 20 0 GDADMM CCc1ccccc1NC(=O)CNC(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000825723308 607865015 /nfs/dbraw/zinc/86/50/15/607865015.db2.gz XDVBSIDJADXBHW-UHFFFAOYSA-N -1 1 398.398 1.702 20 0 GDADMM CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)c1cccc(-c2nnn[n-]2)n1 ZINC000825892796 607894944 /nfs/dbraw/zinc/89/49/44/607894944.db2.gz TVHRNSGVMDTQQW-UHFFFAOYSA-N -1 1 394.439 1.173 20 0 GDADMM CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)c1cccc(-c2nn[n-]n2)n1 ZINC000825892796 607894945 /nfs/dbraw/zinc/89/49/45/607894945.db2.gz TVHRNSGVMDTQQW-UHFFFAOYSA-N -1 1 394.439 1.173 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCc2c(F)cccc2C1 ZINC000826495112 607939472 /nfs/dbraw/zinc/93/94/72/607939472.db2.gz CTOGYMFUQGGTFX-UHFFFAOYSA-N -1 1 377.376 1.892 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)Nc1ccncc1F ZINC000826328513 607963719 /nfs/dbraw/zinc/96/37/19/607963719.db2.gz UIFQPAYDNAQEDL-UHFFFAOYSA-N -1 1 381.375 1.054 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)Nc1ccncc1F ZINC000826328513 607963720 /nfs/dbraw/zinc/96/37/20/607963720.db2.gz UIFQPAYDNAQEDL-UHFFFAOYSA-N -1 1 381.375 1.054 20 0 GDADMM CC(C)(C)c1nc(-c2nn[n-]n2)c(NNC(=S)NC[C@H]2CCCCO2)o1 ZINC000824141493 607966867 /nfs/dbraw/zinc/96/68/67/607966867.db2.gz IEAFXTZKLHHEKK-SECBINFHSA-N -1 1 380.478 1.512 20 0 GDADMM Cc1cc(Br)ccc1NC(=O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC000826256693 607987775 /nfs/dbraw/zinc/98/77/75/607987775.db2.gz WJIQPVOHNGZSHP-UHFFFAOYSA-N -1 1 389.217 1.778 20 0 GDADMM Cc1cc(Br)ccc1NC(=O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC000826256693 607987776 /nfs/dbraw/zinc/98/77/76/607987776.db2.gz WJIQPVOHNGZSHP-UHFFFAOYSA-N -1 1 389.217 1.778 20 0 GDADMM Clc1ccccc1[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N1CCOCC1 ZINC000826353679 607989082 /nfs/dbraw/zinc/98/90/82/607989082.db2.gz ZONPOXKBEFHHKK-HNNXBMFYSA-N -1 1 386.847 1.796 20 0 GDADMM Clc1ccccc1[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N1CCOCC1 ZINC000826353679 607989083 /nfs/dbraw/zinc/98/90/83/607989083.db2.gz ZONPOXKBEFHHKK-HNNXBMFYSA-N -1 1 386.847 1.796 20 0 GDADMM O=C(CCn1cc(Br)cn1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826409551 607997029 /nfs/dbraw/zinc/99/70/29/607997029.db2.gz FLAOHLMCQBNBPX-UHFFFAOYSA-N -1 1 378.190 1.560 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000826450759 607997679 /nfs/dbraw/zinc/99/76/79/607997679.db2.gz CLNVQLHUHFSXRU-KRWDZBQOSA-N -1 1 398.398 1.723 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000826450999 607998133 /nfs/dbraw/zinc/99/81/33/607998133.db2.gz LWZJIIVUKNLZQP-ZIAGYGMSSA-N -1 1 384.440 1.940 20 0 GDADMM O=C(NCc1nnc2n1CCC[C@H]2C(F)(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC000826444260 608038316 /nfs/dbraw/zinc/03/83/16/608038316.db2.gz YLMBYVCNRCVGCO-SECBINFHSA-N -1 1 393.333 1.223 20 0 GDADMM O=C(NCc1nnc2n1CCC[C@H]2C(F)(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC000826444260 608038317 /nfs/dbraw/zinc/03/83/17/608038317.db2.gz YLMBYVCNRCVGCO-SECBINFHSA-N -1 1 393.333 1.223 20 0 GDADMM CCOC(=O)CC[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000825508292 608041121 /nfs/dbraw/zinc/04/11/21/608041121.db2.gz WHYLIRRLNIGRGI-QMMMGPOBSA-N -1 1 380.430 1.151 20 0 GDADMM CC(C)(C)[C@@H]1C[C@@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC000824077287 608111253 /nfs/dbraw/zinc/11/12/53/608111253.db2.gz AIOOWOAWIZLNSV-GWCFXTLKSA-N -1 1 383.449 1.878 20 0 GDADMM CC(C)(C)[C@@H]1C[C@@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC000824077287 608111254 /nfs/dbraw/zinc/11/12/54/608111254.db2.gz AIOOWOAWIZLNSV-GWCFXTLKSA-N -1 1 383.449 1.878 20 0 GDADMM CCOC(=O)[C@H](C)[C@@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825485648 608127236 /nfs/dbraw/zinc/12/72/36/608127236.db2.gz HWHJJESHIFQLSG-RKDXNWHRSA-N -1 1 387.849 1.386 20 0 GDADMM CCOC(=O)[C@H](C)[C@@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825485648 608127237 /nfs/dbraw/zinc/12/72/37/608127237.db2.gz HWHJJESHIFQLSG-RKDXNWHRSA-N -1 1 387.849 1.386 20 0 GDADMM CCOC(=O)[C@H](C)[C@H](C)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000825485805 608139489 /nfs/dbraw/zinc/13/94/89/608139489.db2.gz JPNUJTGNWDKGJQ-KOLCDFICSA-N -1 1 390.444 1.221 20 0 GDADMM CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000825485801 608139500 /nfs/dbraw/zinc/13/95/00/608139500.db2.gz JPNUJTGNWDKGJQ-GXSJLCMTSA-N -1 1 390.444 1.221 20 0 GDADMM Cc1oc(NC(=O)[C@@H](C)N(C)CC(C)(C)S(C)(=O)=O)c(-c2nn[n-]n2)c1C ZINC000826340719 608169558 /nfs/dbraw/zinc/16/95/58/608169558.db2.gz IIQFUYIKSPWUJP-SNVBAGLBSA-N -1 1 398.489 1.159 20 0 GDADMM COc1ccc(C[C@H](CO)CNc2snc(Cl)c2-c2nnn[n-]2)cc1O ZINC000826191313 608185691 /nfs/dbraw/zinc/18/56/91/608185691.db2.gz CMUYELJYIYCBPU-VIFPVBQESA-N -1 1 396.860 1.954 20 0 GDADMM COc1ccc(C[C@H](CO)CNc2snc(Cl)c2-c2nn[n-]n2)cc1O ZINC000826191313 608185692 /nfs/dbraw/zinc/18/56/92/608185692.db2.gz CMUYELJYIYCBPU-VIFPVBQESA-N -1 1 396.860 1.954 20 0 GDADMM Cc1cnc(CN(C)[C@H]2CCN(c3snc(Cl)c3-c3nn[n-]n3)C2)o1 ZINC000826318802 608190850 /nfs/dbraw/zinc/19/08/50/608190850.db2.gz ZQILXLNCNATMRY-VIFPVBQESA-N -1 1 380.865 1.984 20 0 GDADMM FC(F)(F)c1ccc(O[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)nc1 ZINC000826368877 608243416 /nfs/dbraw/zinc/24/34/16/608243416.db2.gz DPTPESDESFBWAL-JTQLQIEISA-N -1 1 378.318 1.728 20 0 GDADMM FC(F)(F)c1ccc(O[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)nc1 ZINC000826368877 608243418 /nfs/dbraw/zinc/24/34/18/608243418.db2.gz DPTPESDESFBWAL-JTQLQIEISA-N -1 1 378.318 1.728 20 0 GDADMM CSc1cc(CNC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)ccn1 ZINC000826230468 608247795 /nfs/dbraw/zinc/24/77/95/608247795.db2.gz VPKDHKUFBUDXCL-UHFFFAOYSA-N -1 1 399.480 1.950 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@H]2CCO[C@@H](C(C)C)C2)cc1-c1nn[n-]n1 ZINC000826229959 608280200 /nfs/dbraw/zinc/28/02/00/608280200.db2.gz XXGHIFOKDZMMPZ-JOYOIKCWSA-N -1 1 378.458 1.623 20 0 GDADMM Cn1cc([C@@H](O)C[C@H]2CCCN2c2snc(Cl)c2-c2nnn[n-]2)cn1 ZINC000826359462 608301928 /nfs/dbraw/zinc/30/19/28/608301928.db2.gz HYBICZQCWVYNQM-ZJUUUORDSA-N -1 1 380.865 1.803 20 0 GDADMM Cn1cc([C@@H](O)C[C@H]2CCCN2c2snc(Cl)c2-c2nn[n-]n2)cn1 ZINC000826359462 608301930 /nfs/dbraw/zinc/30/19/30/608301930.db2.gz HYBICZQCWVYNQM-ZJUUUORDSA-N -1 1 380.865 1.803 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCC[C@@H]2COCC[C@@H]21 ZINC000826494431 608303243 /nfs/dbraw/zinc/30/32/43/608303243.db2.gz BNDVBZMLZRAYOI-MFKMUULPSA-N -1 1 383.861 1.710 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000826495280 608305977 /nfs/dbraw/zinc/30/59/77/608305977.db2.gz JONBUAWHFLZSCU-CHWSQXEVSA-N -1 1 395.460 1.833 20 0 GDADMM Cc1oc(NC(=O)COC(=O)c2ccc([O-])cc2F)c(-c2nn[nH]n2)c1C ZINC000826342297 608321771 /nfs/dbraw/zinc/32/17/71/608321771.db2.gz DZRALESZCSDPOX-UHFFFAOYSA-N -1 1 375.316 1.717 20 0 GDADMM CCOC(=O)[C@@H](CC1CC1)[N-]S(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000825485315 608337316 /nfs/dbraw/zinc/33/73/16/608337316.db2.gz GDRFLWJLFIZOBB-CQSZACIVSA-N -1 1 397.432 1.157 20 0 GDADMM Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)cc1 ZINC000826282944 608342957 /nfs/dbraw/zinc/34/29/57/608342957.db2.gz GTSRFNWZMWNDDL-GFCCVEGCSA-N -1 1 396.455 1.943 20 0 GDADMM Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)cc1 ZINC000826282944 608342958 /nfs/dbraw/zinc/34/29/58/608342958.db2.gz GTSRFNWZMWNDDL-GFCCVEGCSA-N -1 1 396.455 1.943 20 0 GDADMM c1coc(Cn2c(Sc3ccc(-c4nnn[n-]4)nn3)nnc2N2CCCC2)c1 ZINC000826526321 608394433 /nfs/dbraw/zinc/39/44/33/608394433.db2.gz UHNWVZJZUPMSTH-UHFFFAOYSA-N -1 1 396.440 1.641 20 0 GDADMM c1coc(Cn2c(Sc3ccc(-c4nn[n-]n4)nn3)nnc2N2CCCC2)c1 ZINC000826526321 608394435 /nfs/dbraw/zinc/39/44/35/608394435.db2.gz UHNWVZJZUPMSTH-UHFFFAOYSA-N -1 1 396.440 1.641 20 0 GDADMM Brc1ccc(N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)nc1 ZINC000823832446 608398116 /nfs/dbraw/zinc/39/81/16/608398116.db2.gz OQUFWUMQFKRMIZ-UHFFFAOYSA-N -1 1 388.233 1.141 20 0 GDADMM Brc1ccc(N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)nc1 ZINC000823832446 608398117 /nfs/dbraw/zinc/39/81/17/608398117.db2.gz OQUFWUMQFKRMIZ-UHFFFAOYSA-N -1 1 388.233 1.141 20 0 GDADMM O=c1c(-c2nn[n-]n2)cn(CC2CCS(=O)(=O)CC2)c2ccc(Cl)cc12 ZINC000826501630 608399176 /nfs/dbraw/zinc/39/91/76/608399176.db2.gz ZSTUHVWDGDTPIU-UHFFFAOYSA-N -1 1 393.856 1.660 20 0 GDADMM CC(C)c1csc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)n1 ZINC000824352927 608407329 /nfs/dbraw/zinc/40/73/29/608407329.db2.gz RIVSHYDBBRJXKP-UHFFFAOYSA-N -1 1 390.477 1.848 20 0 GDADMM CC(C)c1csc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)n1 ZINC000824352927 608407331 /nfs/dbraw/zinc/40/73/31/608407331.db2.gz RIVSHYDBBRJXKP-UHFFFAOYSA-N -1 1 390.477 1.848 20 0 GDADMM Cc1cc(F)ccc1-n1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])nn1 ZINC000826268369 608472694 /nfs/dbraw/zinc/47/26/94/608472694.db2.gz UNHIQBVANQDZIJ-UHFFFAOYSA-N -1 1 380.343 1.853 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCOCC[C@H]1C ZINC000826328111 608548057 /nfs/dbraw/zinc/54/80/57/608548057.db2.gz GQRCGIQEPGMAOG-LLVKDONJSA-N -1 1 384.444 1.096 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCOCC[C@H]1C ZINC000826328111 608548058 /nfs/dbraw/zinc/54/80/58/608548058.db2.gz GQRCGIQEPGMAOG-LLVKDONJSA-N -1 1 384.444 1.096 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccc(OC2CCC2)cc1 ZINC000825933326 608556586 /nfs/dbraw/zinc/55/65/86/608556586.db2.gz BSVKSXQTQAXOKA-UHFFFAOYSA-N -1 1 396.455 1.808 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccc(OC2CCC2)cc1 ZINC000825933326 608556588 /nfs/dbraw/zinc/55/65/88/608556588.db2.gz BSVKSXQTQAXOKA-UHFFFAOYSA-N -1 1 396.455 1.808 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC(c2cn[nH]c2)CC1 ZINC000826496265 608567322 /nfs/dbraw/zinc/56/73/22/608567322.db2.gz QDWJGPIQYIITSW-UHFFFAOYSA-N -1 1 377.405 1.297 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC(c2cn[nH]c2)CC1 ZINC000826496265 608567323 /nfs/dbraw/zinc/56/73/23/608567323.db2.gz QDWJGPIQYIITSW-UHFFFAOYSA-N -1 1 377.405 1.297 20 0 GDADMM CCN1CCOC[C@@H]1C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000825465822 608571697 /nfs/dbraw/zinc/57/16/97/608571697.db2.gz ROCDHRZHDNIBBC-OAHLLOKOSA-N -1 1 398.492 1.932 20 0 GDADMM Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC000826329078 608700165 /nfs/dbraw/zinc/70/01/65/608700165.db2.gz PLQLEQYAUXCFCD-MRXNPFEDSA-N -1 1 394.464 1.557 20 0 GDADMM Cc1ccccc1O[C@@H](C)C(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000826307716 608717348 /nfs/dbraw/zinc/71/73/48/608717348.db2.gz UHZXNOQDKBDVOQ-HNNXBMFYSA-N -1 1 396.451 1.880 20 0 GDADMM Cc1ccccc1O[C@@H](C)C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000826307716 608717349 /nfs/dbraw/zinc/71/73/49/608717349.db2.gz UHZXNOQDKBDVOQ-HNNXBMFYSA-N -1 1 396.451 1.880 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCC(n2ccnn2)CC1 ZINC000826494883 608806857 /nfs/dbraw/zinc/80/68/57/608806857.db2.gz TWZUYAAFJDRDCM-UHFFFAOYSA-N -1 1 394.848 1.137 20 0 GDADMM C[C@H]1OCC[C@@H]1C(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000825012978 608885600 /nfs/dbraw/zinc/88/56/00/608885600.db2.gz MWKYRSNKPOOYRS-NEPJUHHUSA-N -1 1 399.411 1.188 20 0 GDADMM Cc1cc(OCC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)no1 ZINC000826271675 609287604 /nfs/dbraw/zinc/28/76/04/609287604.db2.gz CALJXCZQJGPWJV-UHFFFAOYSA-N -1 1 384.331 1.505 20 0 GDADMM CC(C)(C)[C@H]1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C[C@@H]1O ZINC000824078307 609294532 /nfs/dbraw/zinc/29/45/32/609294532.db2.gz HXZZXKRDCVPENP-JSGCOSHPSA-N -1 1 383.449 1.423 20 0 GDADMM COc1ccc(OC)c(NC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)c1 ZINC000826211047 609296558 /nfs/dbraw/zinc/29/65/58/609296558.db2.gz NHQXMAKPHGUVTO-UHFFFAOYSA-N -1 1 388.409 1.959 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCc1cc2ccccc2[nH]1 ZINC000825929208 609300535 /nfs/dbraw/zinc/30/05/35/609300535.db2.gz COKSGOYMKIBKLL-UHFFFAOYSA-N -1 1 394.443 1.428 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCc1cc2ccccc2[nH]1 ZINC000825929208 609300538 /nfs/dbraw/zinc/30/05/38/609300538.db2.gz COKSGOYMKIBKLL-UHFFFAOYSA-N -1 1 394.443 1.428 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000825930050 609300913 /nfs/dbraw/zinc/30/09/13/609300913.db2.gz OVHKEWDKXABHAA-JSGCOSHPSA-N -1 1 381.444 1.302 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000825930050 609300915 /nfs/dbraw/zinc/30/09/15/609300915.db2.gz OVHKEWDKXABHAA-JSGCOSHPSA-N -1 1 381.444 1.302 20 0 GDADMM COc1cc(C)ccc1CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826178018 609308064 /nfs/dbraw/zinc/30/80/64/609308064.db2.gz GJIIRWDYAOVGSX-UHFFFAOYSA-N -1 1 399.459 1.263 20 0 GDADMM COc1cc(C)ccc1CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826178018 609308066 /nfs/dbraw/zinc/30/80/66/609308066.db2.gz GJIIRWDYAOVGSX-UHFFFAOYSA-N -1 1 399.459 1.263 20 0 GDADMM COC(=O)[C@@H]1CCCCCN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826134348 609318581 /nfs/dbraw/zinc/31/85/81/609318581.db2.gz VSBFYWWNUDJOLW-NSHDSACASA-N -1 1 399.860 1.626 20 0 GDADMM COC(=O)[C@@H]1CCCCCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826134348 609318582 /nfs/dbraw/zinc/31/85/82/609318582.db2.gz VSBFYWWNUDJOLW-NSHDSACASA-N -1 1 399.860 1.626 20 0 GDADMM C[C@H]1CN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CCCO1 ZINC000824977663 609358189 /nfs/dbraw/zinc/35/81/89/609358189.db2.gz SARNNDWAMGVEAW-NSHDSACASA-N -1 1 386.391 1.834 20 0 GDADMM O=C(NCC[C@@H]1CCCO1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826436082 609362439 /nfs/dbraw/zinc/36/24/39/609362439.db2.gz HJJGZKAECJYJMW-NSHDSACASA-N -1 1 386.391 1.882 20 0 GDADMM O=C([N-]c1ncn(Cc2ccccc2)n1)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000826460878 609377737 /nfs/dbraw/zinc/37/77/37/609377737.db2.gz WGUYCNLWRCHJFM-UHFFFAOYSA-N -1 1 381.787 1.807 20 0 GDADMM CCN(Cc1cn(C)nn1)C(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000825439729 609430631 /nfs/dbraw/zinc/43/06/31/609430631.db2.gz LZCWFWGWFBWYHI-UHFFFAOYSA-N -1 1 399.484 1.652 20 0 GDADMM Cc1ncc(COC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)c(C)n1 ZINC000826330243 609608460 /nfs/dbraw/zinc/60/84/60/609608460.db2.gz LNRONMFABQXTOT-UHFFFAOYSA-N -1 1 383.412 1.667 20 0 GDADMM O=S(=O)([N-]C[C@@H](O)[C@H]1CCOC1)c1cc(Br)sc1Cl ZINC000533093216 650041428 /nfs/dbraw/zinc/04/14/28/650041428.db2.gz DIQDKWTZRMFLSQ-NKWVEPMBSA-N -1 1 390.708 1.840 20 0 GDADMM C[C@@H](C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F)S(C)(=O)=O ZINC000533148723 650043680 /nfs/dbraw/zinc/04/36/80/650043680.db2.gz FJERGWGQISHTLY-LURJTMIESA-N -1 1 392.243 1.439 20 0 GDADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC2(COC)CC2)c(OC)c1 ZINC000536411837 650270582 /nfs/dbraw/zinc/27/05/82/650270582.db2.gz PFQRMHGRIAGHCC-UHFFFAOYSA-N -1 1 392.499 1.304 20 0 GDADMM COc1ccc(NC(=O)C(=O)NC[C@@H]2CCCS2)cc1[N-]S(C)(=O)=O ZINC000538103727 650304598 /nfs/dbraw/zinc/30/45/98/650304598.db2.gz CQGXSKBNEACOHZ-NSHDSACASA-N -1 1 387.483 1.017 20 0 GDADMM CCCCN(CCCO)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000539221681 650331085 /nfs/dbraw/zinc/33/10/85/650331085.db2.gz NKWOQOWNPGHDBF-UHFFFAOYSA-N -1 1 382.479 1.370 20 0 GDADMM COc1cc(NC(=O)C(=O)NCCC(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000539166050 650329457 /nfs/dbraw/zinc/32/94/57/650329457.db2.gz YJMHNUXEPCZFME-UHFFFAOYSA-N -1 1 383.348 1.074 20 0 GDADMM CCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2[nH]nc(C)c2C)cc1F ZINC000539463192 650335208 /nfs/dbraw/zinc/33/52/08/650335208.db2.gz ICLGNTXCYSCGQC-UHFFFAOYSA-N -1 1 376.435 1.728 20 0 GDADMM COc1cc(NC(=O)C(=O)NC2CCSCC2)ccc1[N-]S(C)(=O)=O ZINC000540270164 650354238 /nfs/dbraw/zinc/35/42/38/650354238.db2.gz XJAUGEFMVRRZKZ-UHFFFAOYSA-N -1 1 387.483 1.017 20 0 GDADMM CCOC(=O)[C@H](C)[C@@H](C)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000541393269 650383814 /nfs/dbraw/zinc/38/38/14/650383814.db2.gz NRCYKIVXZSXMTP-NXEZZACHSA-N -1 1 396.462 1.063 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CC[C@H](C(N)=O)C2)c1F ZINC000916161195 660187585 /nfs/dbraw/zinc/18/75/85/660187585.db2.gz OJYJYJBGUQJMMI-JGVFFNPUSA-N -1 1 395.250 1.529 20 0 GDADMM Cn1cc(Br)c(=O)c([N-]S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000544633770 650442087 /nfs/dbraw/zinc/44/20/87/650442087.db2.gz OKYWENRJNDMHFL-UHFFFAOYSA-N -1 1 398.282 1.863 20 0 GDADMM O=C(C[N-]S(=O)(=O)c1ccc(Br)o1)N1CCc2ccccc2C1 ZINC000545366974 650455431 /nfs/dbraw/zinc/45/54/31/650455431.db2.gz WNHAVISYNXJRLM-UHFFFAOYSA-N -1 1 399.266 1.905 20 0 GDADMM CCC[C@@H]1C(=O)NCCN1C(=O)c1ccc(I)c([O-])c1 ZINC000546216401 650474917 /nfs/dbraw/zinc/47/49/17/650474917.db2.gz CVBRNMFMSGUGJB-LLVKDONJSA-N -1 1 388.205 1.738 20 0 GDADMM CC1=CCN(CCNS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC1 ZINC000546575299 650479473 /nfs/dbraw/zinc/47/94/73/650479473.db2.gz KQFLLNLPVCSVCV-UHFFFAOYSA-N -1 1 391.490 1.128 20 0 GDADMM Cn1ccc(CC[N-]S(=O)(=O)c2cc(Br)c(F)cc2F)n1 ZINC000546883074 650489191 /nfs/dbraw/zinc/48/91/91/650489191.db2.gz BJRDHNYWXYGPPM-UHFFFAOYSA-N -1 1 380.214 1.982 20 0 GDADMM COC(=O)c1cn([C@@H]2CCN(C(=O)c3ccc(Br)c([O-])c3)C2)nn1 ZINC000546905617 650489795 /nfs/dbraw/zinc/48/97/95/650489795.db2.gz HNHRSCHHOKHNSR-SNVBAGLBSA-N -1 1 395.213 1.620 20 0 GDADMM CN(C)C(=O)C(C)(C)NC(=O)c1ccc(I)c([O-])c1 ZINC000546920575 650490317 /nfs/dbraw/zinc/49/03/17/650490317.db2.gz ARZCMEVVGQLPRQ-UHFFFAOYSA-N -1 1 376.194 1.593 20 0 GDADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(-c2nc([C@H]3CCS(=O)(=O)C3)no2)o1 ZINC000547112763 650491857 /nfs/dbraw/zinc/49/18/57/650491857.db2.gz FSGIIXXWVQOMQI-VIFPVBQESA-N -1 1 389.455 1.309 20 0 GDADMM O=C([O-])[C@H](CN1CCCCC1)NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000547563361 650503225 /nfs/dbraw/zinc/50/32/25/650503225.db2.gz SMVHJBKTEFNFLJ-NSHDSACASA-N -1 1 381.376 1.318 20 0 GDADMM COC(=O)c1cccc(F)c1[N-]S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000547703246 650512554 /nfs/dbraw/zinc/51/25/54/650512554.db2.gz XMAXWLNAYLFWFD-UHFFFAOYSA-N -1 1 388.398 1.061 20 0 GDADMM CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000551201038 650600926 /nfs/dbraw/zinc/60/09/26/650600926.db2.gz CVYBNQNEWAHUSN-CABZTGNLSA-N -1 1 384.882 1.475 20 0 GDADMM Cc1ncc2c(n1)CC[C@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)C2 ZINC000555283918 650688142 /nfs/dbraw/zinc/68/81/42/650688142.db2.gz IJRBEUDGTIMLRJ-JTQLQIEISA-N -1 1 375.376 1.373 20 0 GDADMM COC(=O)[C@@H]([N-]S(=O)(=O)CC1(C)COC1)c1ccc(Br)cc1 ZINC000555403282 650690151 /nfs/dbraw/zinc/69/01/51/650690151.db2.gz HJFRTUXZTWOCBG-LBPRGKRZSA-N -1 1 392.271 1.619 20 0 GDADMM CC[C@]([N-]S(=O)(=O)C[C@@H](C)C(=O)OC)(C(=O)OC)c1ccc(Cl)cc1 ZINC000556819700 650712170 /nfs/dbraw/zinc/71/21/70/650712170.db2.gz UWUPRYYAFPSFLB-BDJLRTHQSA-N -1 1 391.873 1.847 20 0 GDADMM C[C@H]1CCC[C@H](NS(=O)(=O)CCCCS(=O)(=O)[N-]c2c[nH]cn2)C1 ZINC000564739429 650766295 /nfs/dbraw/zinc/76/62/95/650766295.db2.gz BIYPTAUJSWXCRV-STQMWFEESA-N -1 1 378.520 1.430 20 0 GDADMM C[C@H]1COCC[C@@H]1NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000564526573 650760359 /nfs/dbraw/zinc/76/03/59/650760359.db2.gz AAROMFCIQWPGBC-CABZTGNLSA-N -1 1 381.281 1.813 20 0 GDADMM C[C@@]1(NC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCCOC1 ZINC000565021413 650776870 /nfs/dbraw/zinc/77/68/70/650776870.db2.gz VWCWLFAMGCJVHP-CQSZACIVSA-N -1 1 381.281 1.957 20 0 GDADMM CC(C)[C@@H]1CCCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1c[nH]cn1 ZINC000565231430 650787585 /nfs/dbraw/zinc/78/75/85/650787585.db2.gz LEGBDZKFHLUZHV-UONOGXRCSA-N -1 1 392.547 1.676 20 0 GDADMM CN(CCC1CC1)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cnc[nH]2)cc1 ZINC000565843436 650817333 /nfs/dbraw/zinc/81/73/33/650817333.db2.gz ODQPURZCDBBCSP-UHFFFAOYSA-N -1 1 384.483 1.631 20 0 GDADMM CN1CCC(N(C[C@@H](O)CC(C)(C)C)S(=O)(=O)[N-]CC(F)(F)F)CC1 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GDADMM CN(C(=O)c1cncs1)C1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571262331 945435851 /nfs/dbraw/zinc/43/58/51/945435851.db2.gz PIAYTWRBLOIJBB-UHFFFAOYSA-N -1 1 385.457 1.030 20 0 GDADMM CCc1nc(NC[C@@H]2CCCN2C(=O)c2ccsn2)cc(-c2nnn[n-]2)n1 ZINC001571262369 945437068 /nfs/dbraw/zinc/43/70/68/945437068.db2.gz QFHVVAPISVYXIQ-JTQLQIEISA-N -1 1 385.457 1.392 20 0 GDADMM CCc1nc(NC[C@@H]2CCCN2C(=O)c2ccsn2)cc(-c2nn[n-]n2)n1 ZINC001571262369 945437072 /nfs/dbraw/zinc/43/70/72/945437072.db2.gz QFHVVAPISVYXIQ-JTQLQIEISA-N -1 1 385.457 1.392 20 0 GDADMM Cc1nc(C)c(C(=O)N[C@@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)s1 ZINC001571262806 945444352 /nfs/dbraw/zinc/44/43/52/945444352.db2.gz YNJOPTJOEALNFP-LLVKDONJSA-N -1 1 385.457 1.047 20 0 GDADMM Cc1nc(C)c(C(=O)N[C@@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)s1 ZINC001571262806 945444359 /nfs/dbraw/zinc/44/43/59/945444359.db2.gz YNJOPTJOEALNFP-LLVKDONJSA-N -1 1 385.457 1.047 20 0 GDADMM Cc1nsc(NC[C@@H]2CCCN2C(=O)c2cnnc(C)c2)c1-c1nn[n-]n1 ZINC001571262889 945445988 /nfs/dbraw/zinc/44/59/88/945445988.db2.gz BGKZCPGOUNBOKQ-LBPRGKRZSA-N -1 1 385.457 1.447 20 0 GDADMM Cc1nsc(C)c1C(=O)N[C@@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571263178 945451145 /nfs/dbraw/zinc/45/11/45/945451145.db2.gz JLWIYSBTYIEBIV-INIZCTEOSA-N -1 1 385.457 1.129 20 0 GDADMM Cc1nsc(C)c1C(=O)N[C@@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571263178 945451150 /nfs/dbraw/zinc/45/11/50/945451150.db2.gz JLWIYSBTYIEBIV-INIZCTEOSA-N -1 1 385.457 1.129 20 0 GDADMM O=C(c1ccncc1Cl)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571264911 945494524 /nfs/dbraw/zinc/49/45/24/945494524.db2.gz AHEJABRPAHCASO-JTQLQIEISA-N -1 1 385.819 1.279 20 0 GDADMM O=C(c1ccncc1Cl)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571264911 945494532 /nfs/dbraw/zinc/49/45/32/945494532.db2.gz AHEJABRPAHCASO-JTQLQIEISA-N -1 1 385.819 1.279 20 0 GDADMM O=C(c1ccc(Cl)cn1)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571266190 945532900 /nfs/dbraw/zinc/53/29/00/945532900.db2.gz XSKVEJYDDASQIX-LLVKDONJSA-N -1 1 385.819 1.422 20 0 GDADMM O=C(c1ccc(Cl)cn1)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571266190 945532904 /nfs/dbraw/zinc/53/29/04/945532904.db2.gz XSKVEJYDDASQIX-LLVKDONJSA-N -1 1 385.819 1.422 20 0 GDADMM O=C(c1cncc(Cl)c1)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571266284 945536893 /nfs/dbraw/zinc/53/68/93/945536893.db2.gz YWXBHZFLGWVSFK-LBPRGKRZSA-N -1 1 385.819 1.422 20 0 GDADMM O=C(c1cncc(Cl)c1)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571266284 945536901 /nfs/dbraw/zinc/53/69/01/945536901.db2.gz YWXBHZFLGWVSFK-LBPRGKRZSA-N -1 1 385.819 1.422 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ccc(F)cc1F ZINC001571266981 945558761 /nfs/dbraw/zinc/55/87/61/945558761.db2.gz FEZHTMZIOOBHER-JGZJWPJOSA-N -1 1 386.366 1.555 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ccc(F)cc1F ZINC001571266981 945558768 /nfs/dbraw/zinc/55/87/68/945558768.db2.gz FEZHTMZIOOBHER-JGZJWPJOSA-N -1 1 386.366 1.555 20 0 GDADMM C[C@H]1CN(C(=O)c2cccc(F)c2F)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571267205 945564554 /nfs/dbraw/zinc/56/45/54/945564554.db2.gz MHCFTAMYRGCLNR-ZANVPECISA-N -1 1 386.366 1.508 20 0 GDADMM C[C@H]1CN(C(=O)c2cccc(F)c2F)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571267205 945564556 /nfs/dbraw/zinc/56/45/56/945564556.db2.gz MHCFTAMYRGCLNR-ZANVPECISA-N -1 1 386.366 1.508 20 0 GDADMM O=C(Cc1ccc(F)cc1F)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571267402 945568438 /nfs/dbraw/zinc/56/84/38/945568438.db2.gz TVRZPCVAQSNQMP-HAQNSBGRSA-N -1 1 386.366 1.237 20 0 GDADMM O=C(Cc1ccc(F)cc1F)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571267402 945568445 /nfs/dbraw/zinc/56/84/45/945568445.db2.gz TVRZPCVAQSNQMP-HAQNSBGRSA-N -1 1 386.366 1.237 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cccc(F)c1F ZINC001571267424 945569630 /nfs/dbraw/zinc/56/96/30/945569630.db2.gz UWXDVJMNQIWYKU-SKDRFNHKSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cccc(F)c1F ZINC001571267424 945569637 /nfs/dbraw/zinc/56/96/37/945569637.db2.gz UWXDVJMNQIWYKU-SKDRFNHKSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccc(F)cc1F ZINC001571267371 945569720 /nfs/dbraw/zinc/56/97/20/945569720.db2.gz SJLXUDZUSHYKLT-NOZJJQNGSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccc(F)cc1F ZINC001571267371 945569726 /nfs/dbraw/zinc/56/97/26/945569726.db2.gz SJLXUDZUSHYKLT-NOZJJQNGSA-N -1 1 386.366 1.650 20 0 GDADMM O=C(Cc1c(F)cccc1F)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571267571 945572573 /nfs/dbraw/zinc/57/25/73/945572573.db2.gz YWGIYULGQRLOJK-JTQLQIEISA-N -1 1 386.366 1.190 20 0 GDADMM O=C(Cc1c(F)cccc1F)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571267571 945572584 /nfs/dbraw/zinc/57/25/84/945572584.db2.gz YWGIYULGQRLOJK-JTQLQIEISA-N -1 1 386.366 1.190 20 0 GDADMM CCC1(CC)[C@H](OC)C[C@H]1N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820958454 945598821 /nfs/dbraw/zinc/59/88/21/945598821.db2.gz VMYONSNASJHHRE-ZIAGYGMSSA-N -1 1 380.474 1.476 20 0 GDADMM CCC1(CC)[C@H](OC)C[C@H]1N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820958454 945598832 /nfs/dbraw/zinc/59/88/32/945598832.db2.gz VMYONSNASJHHRE-ZIAGYGMSSA-N -1 1 380.474 1.476 20 0 GDADMM CCNC(=O)c1ccc(C)c(NC(=O)NCc2nc(-c3nnn[n-]3)cs2)c1 ZINC001571270697 945640556 /nfs/dbraw/zinc/64/05/56/945640556.db2.gz YZBOEKWDPAAGMI-UHFFFAOYSA-N -1 1 386.441 1.703 20 0 GDADMM CCNC(=O)c1ccc(C)c(NC(=O)NCc2nc(-c3nn[n-]n3)cs2)c1 ZINC001571270697 945640559 /nfs/dbraw/zinc/64/05/59/945640559.db2.gz YZBOEKWDPAAGMI-UHFFFAOYSA-N -1 1 386.441 1.703 20 0 GDADMM CCc1c(C(=O)N[C@H]2C[C@H](Nc3snc(C)c3-c3nn[n-]n3)C2)ccn1C ZINC001571272327 945659308 /nfs/dbraw/zinc/65/93/08/945659308.db2.gz RYNYJJWPDVSECW-XYPYZODXSA-N -1 1 386.485 1.905 20 0 GDADMM O=C(CC[C@@H]1CCOC1)N1CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571272390 945662195 /nfs/dbraw/zinc/66/21/95/945662195.db2.gz CRLPWZHFLMUYBF-KGLIPLIRSA-N -1 1 386.460 1.266 20 0 GDADMM O=C(CC[C@@H]1CCOC1)N1CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571272390 945662201 /nfs/dbraw/zinc/66/22/01/945662201.db2.gz CRLPWZHFLMUYBF-KGLIPLIRSA-N -1 1 386.460 1.266 20 0 GDADMM O=C(CC[C@H]1CCCCO1)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571273285 945684463 /nfs/dbraw/zinc/68/44/63/945684463.db2.gz URCDZFHCEYLCJP-UONOGXRCSA-N -1 1 386.460 1.409 20 0 GDADMM O=C(CC[C@H]1CCCCO1)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571273285 945684471 /nfs/dbraw/zinc/68/44/71/945684471.db2.gz URCDZFHCEYLCJP-UONOGXRCSA-N -1 1 386.460 1.409 20 0 GDADMM O=C(N[C@@H]1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1)C1CCOCC1 ZINC001571273509 945689889 /nfs/dbraw/zinc/68/98/89/945689889.db2.gz YTLBBRBWLGYHOX-ZIAGYGMSSA-N -1 1 386.460 1.170 20 0 GDADMM O=C(N[C@@H]1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1)C1CCOCC1 ZINC001571273509 945689898 /nfs/dbraw/zinc/68/98/98/945689898.db2.gz YTLBBRBWLGYHOX-ZIAGYGMSSA-N -1 1 386.460 1.170 20 0 GDADMM CCc1cnc(CN2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)o1 ZINC000821499477 945710685 /nfs/dbraw/zinc/71/06/85/945710685.db2.gz LQMXHNSJOOCKJU-UHFFFAOYSA-N -1 1 396.411 1.987 20 0 GDADMM C[C@@H]1CN(C(=O)COC2CCCC2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571275824 945715615 /nfs/dbraw/zinc/71/56/15/945715615.db2.gz DAIVCPKZABZLAG-OLZOCXBDSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H]1CN(C(=O)COC2CCCC2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571275824 945715629 /nfs/dbraw/zinc/71/56/29/945715629.db2.gz DAIVCPKZABZLAG-OLZOCXBDSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H]1CN(C(=O)COC2CCCC2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571275823 945716534 /nfs/dbraw/zinc/71/65/34/945716534.db2.gz DAIVCPKZABZLAG-CHWSQXEVSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H]1CN(C(=O)COC2CCCC2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571275823 945716539 /nfs/dbraw/zinc/71/65/39/945716539.db2.gz DAIVCPKZABZLAG-CHWSQXEVSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@]1(CNc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)COC2CCCC2)C1 ZINC001571279620 945784594 /nfs/dbraw/zinc/78/45/94/945784594.db2.gz WWYZOCFFSBLOPF-GOSISDBHSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@]1(CNc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)COC2CCCC2)C1 ZINC001571279620 945784599 /nfs/dbraw/zinc/78/45/99/945784599.db2.gz WWYZOCFFSBLOPF-GOSISDBHSA-N -1 1 386.460 1.266 20 0 GDADMM COCCN(Cc1ccc(C)cc1C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821690569 945819477 /nfs/dbraw/zinc/81/94/77/945819477.db2.gz QIKZICKRSSOYSJ-UHFFFAOYSA-N -1 1 384.444 1.898 20 0 GDADMM COCCN(Cc1ccc(C)cc1C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821690569 945819490 /nfs/dbraw/zinc/81/94/90/945819490.db2.gz QIKZICKRSSOYSJ-UHFFFAOYSA-N -1 1 384.444 1.898 20 0 GDADMM C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001571282898 945864757 /nfs/dbraw/zinc/86/47/57/945864757.db2.gz VBHQVNYDEHNUIL-BXUZGUMPSA-N -1 1 387.444 1.176 20 0 GDADMM C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001571282898 945864770 /nfs/dbraw/zinc/86/47/70/945864770.db2.gz VBHQVNYDEHNUIL-BXUZGUMPSA-N -1 1 387.444 1.176 20 0 GDADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCCN(C(=O)c2ccc(Cl)[nH]2)C1 ZINC001571283219 945879241 /nfs/dbraw/zinc/87/92/41/945879241.db2.gz BZTOAWLDMWMMBU-SNVBAGLBSA-N -1 1 387.835 1.379 20 0 GDADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCCN(C(=O)c2ccc(Cl)[nH]2)C1 ZINC001571283219 945879255 /nfs/dbraw/zinc/87/92/55/945879255.db2.gz BZTOAWLDMWMMBU-SNVBAGLBSA-N -1 1 387.835 1.379 20 0 GDADMM O=C(N[C@@H]1[C@H]2CN(c3nc(-c4nn[n-]n4)c(Cl)s3)C[C@H]21)c1ccccc1 ZINC001571285307 945913882 /nfs/dbraw/zinc/91/38/82/945913882.db2.gz ANNSKEYPZBIMIM-URLYPYJESA-N -1 1 387.856 1.841 20 0 GDADMM O=C(N[C@@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cc(Cl)c[nH]1 ZINC001571285840 945929944 /nfs/dbraw/zinc/92/99/44/945929944.db2.gz PMHWEEXGXQOYCF-WDEREUQCSA-N -1 1 387.835 1.791 20 0 GDADMM O=C(N[C@@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cc(Cl)c[nH]1 ZINC001571285840 945929950 /nfs/dbraw/zinc/92/99/50/945929950.db2.gz PMHWEEXGXQOYCF-WDEREUQCSA-N -1 1 387.835 1.791 20 0 GDADMM CCC[C@@]1(C(=O)OCC)CCCN1C(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001571286906 945963480 /nfs/dbraw/zinc/96/34/80/945963480.db2.gz VAKGWBBRUCSYLC-SFHVURJKSA-N -1 1 388.428 1.614 20 0 GDADMM Cc1ccc(-c2nc(CCNC(=O)Nc3nn(C)cc3-c3nnn[n-]3)co2)cc1 ZINC000822213908 945998875 /nfs/dbraw/zinc/99/88/75/945998875.db2.gz GPEJOLVPNLMBAE-UHFFFAOYSA-N -1 1 393.411 1.928 20 0 GDADMM Cc1ccc(-c2nc(CCNC(=O)Nc3nn(C)cc3-c3nn[n-]n3)co2)cc1 ZINC000822213908 945998878 /nfs/dbraw/zinc/99/88/78/945998878.db2.gz GPEJOLVPNLMBAE-UHFFFAOYSA-N -1 1 393.411 1.928 20 0 GDADMM CC[C@H](OC)C(=O)N1C[C@@H](C)[C@H](CCNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571289460 946005959 /nfs/dbraw/zinc/00/59/59/946005959.db2.gz FCSAJCSAXSMECT-KYOSRNDESA-N -1 1 388.476 1.287 20 0 GDADMM CC[C@H](OC)C(=O)N1C[C@@H](C)[C@H](CCNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571289460 946005967 /nfs/dbraw/zinc/00/59/67/946005967.db2.gz FCSAJCSAXSMECT-KYOSRNDESA-N -1 1 388.476 1.287 20 0 GDADMM Cc1nsc(NC[C@@H]2CC[C@@H](NC(=O)Cc3ccon3)C2)c1-c1nn[n-]n1 ZINC001571289444 946006560 /nfs/dbraw/zinc/00/65/60/946006560.db2.gz DSZBFOIRSREDJP-GHMZBOCLSA-N -1 1 388.457 1.559 20 0 GDADMM CC[C@@H](F)C(=O)N1CCC2(CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)CC1 ZINC001571289765 946017795 /nfs/dbraw/zinc/01/77/95/946017795.db2.gz LYWPKGIHAYDYMS-CYBMUJFWSA-N -1 1 388.451 1.532 20 0 GDADMM CC[C@@H](F)C(=O)N1CCC2(CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571289765 946017806 /nfs/dbraw/zinc/01/78/06/946017806.db2.gz LYWPKGIHAYDYMS-CYBMUJFWSA-N -1 1 388.451 1.532 20 0 GDADMM Cc1nc(C(=O)N[C@H]2CCCN(c3snc(C)c3-c3nn[n-]n3)CC2)co1 ZINC001571289885 946021443 /nfs/dbraw/zinc/02/14/43/946021443.db2.gz OXSSYUARIORJJQ-NSHDSACASA-N -1 1 388.457 1.717 20 0 GDADMM Cc1noc(C)c1C(=O)N1CCC[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571289974 946024780 /nfs/dbraw/zinc/02/47/80/946024780.db2.gz RJBXPHPEOVKIJH-NSHDSACASA-N -1 1 388.457 1.953 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@@H]1CCOC2(CCCC2)C1 ZINC001571290053 946026102 /nfs/dbraw/zinc/02/61/02/946026102.db2.gz UAFFJNYNKRAFFF-GFCCVEGCSA-N -1 1 388.476 1.302 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@@H]1CCOC2(CCCC2)C1 ZINC001571290053 946026114 /nfs/dbraw/zinc/02/61/14/946026114.db2.gz UAFFJNYNKRAFFF-GFCCVEGCSA-N -1 1 388.476 1.302 20 0 GDADMM CN(C[C@H]1CCN(C(=O)c2ccoc2Cl)C1)c1nccnc1-c1nnn[n-]1 ZINC001571290773 946054176 /nfs/dbraw/zinc/05/41/76/946054176.db2.gz OKGXJGIMBXIXHT-SNVBAGLBSA-N -1 1 388.819 1.502 20 0 GDADMM CN(C[C@H]1CCN(C(=O)c2ccoc2Cl)C1)c1nccnc1-c1nn[n-]n1 ZINC001571290773 946054186 /nfs/dbraw/zinc/05/41/86/946054186.db2.gz OKGXJGIMBXIXHT-SNVBAGLBSA-N -1 1 388.819 1.502 20 0 GDADMM O=C(c1ccc(Cl)o1)N1CCC(CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571290822 946055827 /nfs/dbraw/zinc/05/58/27/946055827.db2.gz QBRAYHBOTIHCLZ-UHFFFAOYSA-N -1 1 388.819 1.867 20 0 GDADMM O=C(c1ccc(Cl)o1)N1CCC(CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571290822 946055843 /nfs/dbraw/zinc/05/58/43/946055843.db2.gz QBRAYHBOTIHCLZ-UHFFFAOYSA-N -1 1 388.819 1.867 20 0 GDADMM CC[C@@H](SC)C(=O)N1C[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001571291002 946061947 /nfs/dbraw/zinc/06/19/47/946061947.db2.gz XJWLJORFYPBHOT-FRRDWIJNSA-N -1 1 388.501 1.083 20 0 GDADMM CC[C@@H](SC)C(=O)N1C[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001571291002 946061959 /nfs/dbraw/zinc/06/19/59/946061959.db2.gz XJWLJORFYPBHOT-FRRDWIJNSA-N -1 1 388.501 1.083 20 0 GDADMM CC[C@H](SC)C(=O)N1C[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001571291001 946063627 /nfs/dbraw/zinc/06/36/27/946063627.db2.gz XJWLJORFYPBHOT-AGIUHOORSA-N -1 1 388.501 1.083 20 0 GDADMM CC[C@H](SC)C(=O)N1C[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001571291001 946063633 /nfs/dbraw/zinc/06/36/33/946063633.db2.gz XJWLJORFYPBHOT-AGIUHOORSA-N -1 1 388.501 1.083 20 0 GDADMM CC(C)(C)[C@H]1CCCC[C@@H]1CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571293712 946114255 /nfs/dbraw/zinc/11/42/55/946114255.db2.gz PRWVPXCRMFRPME-YPMHNXCESA-N -1 1 389.460 1.098 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(C(F)F)o2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571294443 946134400 /nfs/dbraw/zinc/13/44/00/946134400.db2.gz GPTGYXZWPUBSOR-WCBMZHEXSA-N -1 1 390.354 1.760 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(C(F)F)o2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571294443 946134405 /nfs/dbraw/zinc/13/44/05/946134405.db2.gz GPTGYXZWPUBSOR-WCBMZHEXSA-N -1 1 390.354 1.760 20 0 GDADMM CN(C(=O)c1coc(C(F)F)c1)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571294952 946149770 /nfs/dbraw/zinc/14/97/70/946149770.db2.gz QRJUYWGUKITOJY-SNVBAGLBSA-N -1 1 390.354 1.538 20 0 GDADMM CN(C(=O)c1coc(C(F)F)c1)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571294952 946149779 /nfs/dbraw/zinc/14/97/79/946149779.db2.gz QRJUYWGUKITOJY-SNVBAGLBSA-N -1 1 390.354 1.538 20 0 GDADMM Brc1cc(CNc2cncc(-c3nnn[n-]3)n2)cc2c1OCCO2 ZINC001571295281 946159058 /nfs/dbraw/zinc/15/90/58/946159058.db2.gz WAEZXXBERWHQGV-UHFFFAOYSA-N -1 1 390.201 1.803 20 0 GDADMM Brc1cc(CNc2cncc(-c3nn[n-]n3)n2)cc2c1OCCO2 ZINC001571295281 946159062 /nfs/dbraw/zinc/15/90/62/946159062.db2.gz WAEZXXBERWHQGV-UHFFFAOYSA-N -1 1 390.201 1.803 20 0 GDADMM O=C(NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1)c1ccc(C(F)F)o1 ZINC001571295299 946159660 /nfs/dbraw/zinc/15/96/60/946159660.db2.gz XAZOSMXUAHPUQE-UHFFFAOYSA-N -1 1 390.354 1.230 20 0 GDADMM Cc1nsc(N2CC[C@@H](NC(=O)[C@@H]3CCO[C@H]3C3CC3)C2)c1-c1nn[n-]n1 ZINC001571295443 946163650 /nfs/dbraw/zinc/16/36/50/946163650.db2.gz TUQBYXXGDQQYQN-BZPMIXESSA-N -1 1 389.485 1.142 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@](C)(NC(=O)[C@@H]3Cc4ccccc43)C2)n1 ZINC001571298199 946208445 /nfs/dbraw/zinc/20/84/45/946208445.db2.gz CBVNHZGTPFJPRJ-QRWLVFNGSA-N -1 1 390.451 1.390 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@](C)(NC(=O)[C@@H]3Cc4ccccc43)C2)n1 ZINC001571298199 946208452 /nfs/dbraw/zinc/20/84/52/946208452.db2.gz CBVNHZGTPFJPRJ-QRWLVFNGSA-N -1 1 390.451 1.390 20 0 GDADMM CCCc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001571298363 946213408 /nfs/dbraw/zinc/21/34/08/946213408.db2.gz FNCQWKPNFPNZBN-HOTGVXAUSA-N -1 1 390.451 1.713 20 0 GDADMM O=C(Cc1ccccc1)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2 ZINC001571298800 946231526 /nfs/dbraw/zinc/23/15/26/946231526.db2.gz RDZZPIAHNMJDNX-CABCVRRESA-N -1 1 390.451 1.161 20 0 GDADMM Cc1nc(NC[C@]2(C)CN(C(=O)OC(C)(C)C)CCO2)cc(-c2nnn[n-]2)n1 ZINC001571298963 946234514 /nfs/dbraw/zinc/23/45/14/946234514.db2.gz MLEOOFZEEVYFOI-QGZVFWFLSA-N -1 1 390.448 1.403 20 0 GDADMM Cc1nc(NC[C@]2(C)CN(C(=O)OC(C)(C)C)CCO2)cc(-c2nn[n-]n2)n1 ZINC001571298963 946234524 /nfs/dbraw/zinc/23/45/24/946234524.db2.gz MLEOOFZEEVYFOI-QGZVFWFLSA-N -1 1 390.448 1.403 20 0 GDADMM Cc1cc(C(=O)NC[C@@H]2CCCN2c2snc(C)c2-c2nn[n-]n2)ns1 ZINC001571299250 946242267 /nfs/dbraw/zinc/24/22/67/946242267.db2.gz VCODEQWLVLGIMJ-JTQLQIEISA-N -1 1 390.498 1.795 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@@H](N(C)c3nc(C)cc(-c4nnn[n-]4)n3)C2)cc1 ZINC001571299205 946242492 /nfs/dbraw/zinc/24/24/92/946242492.db2.gz PAIWMZCXLFDSPG-MRXNPFEDSA-N -1 1 390.451 1.959 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@@H](N(C)c3nc(C)cc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571299205 946242500 /nfs/dbraw/zinc/24/25/00/946242500.db2.gz PAIWMZCXLFDSPG-MRXNPFEDSA-N -1 1 390.451 1.959 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@@H]3[C@H]2CCN3c2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001571299240 946243931 /nfs/dbraw/zinc/24/39/31/946243931.db2.gz PPHVBTCPTMOFKB-HZPDHXFCSA-N -1 1 390.451 1.849 20 0 GDADMM O=C(N[C@@H]1CC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@H]2C1)c1ccccc1 ZINC001571299531 946253102 /nfs/dbraw/zinc/25/31/02/946253102.db2.gz WQOCZGGNCVCDCR-OWCLPIDISA-N -1 1 390.451 1.692 20 0 GDADMM O=C(N[C@@H]1CC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@H]2C1)c1ccccc1 ZINC001571299531 946253111 /nfs/dbraw/zinc/25/31/11/946253111.db2.gz WQOCZGGNCVCDCR-OWCLPIDISA-N -1 1 390.451 1.692 20 0 GDADMM O=C(N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)[C@H](c1ccccc1)C1CC1 ZINC001571299563 946254989 /nfs/dbraw/zinc/25/49/89/946254989.db2.gz XFTKFYJYHWCZIN-NVXWUHKLSA-N -1 1 390.451 1.545 20 0 GDADMM C[C@@]1(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CCc2ccccc21 ZINC001571299809 946262681 /nfs/dbraw/zinc/26/26/81/946262681.db2.gz VISMOJCRGVVDEA-ARGWCVDVSA-N -1 1 390.451 1.620 20 0 GDADMM C[C@@]1(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CCc2ccccc21 ZINC001571299809 946262690 /nfs/dbraw/zinc/26/26/90/946262690.db2.gz VISMOJCRGVVDEA-ARGWCVDVSA-N -1 1 390.451 1.620 20 0 GDADMM CCc1ccccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1 ZINC001571299994 946269141 /nfs/dbraw/zinc/26/91/41/946269141.db2.gz XSHQJUVRZLOHFK-UNEWFSDZSA-N -1 1 390.451 1.759 20 0 GDADMM CCc1ccccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1 ZINC001571299994 946269156 /nfs/dbraw/zinc/26/91/56/946269156.db2.gz XSHQJUVRZLOHFK-UNEWFSDZSA-N -1 1 390.451 1.759 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1ocnc1C(F)F ZINC001571302146 946295442 /nfs/dbraw/zinc/29/54/42/946295442.db2.gz PRCZVUODCWFGHC-ZKCHVHJHSA-N -1 1 391.342 1.203 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1ocnc1C(F)F ZINC001571302146 946295460 /nfs/dbraw/zinc/29/54/60/946295460.db2.gz PRCZVUODCWFGHC-ZKCHVHJHSA-N -1 1 391.342 1.203 20 0 GDADMM O=C(N[C@@H]1CC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1)c1ccccn1 ZINC001571302593 946308280 /nfs/dbraw/zinc/30/82/80/946308280.db2.gz CAZZTKNSNUUYKP-MGPQQGTHSA-N -1 1 391.439 1.087 20 0 GDADMM O=C(N[C@@H]1CC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1)c1ccccn1 ZINC001571302593 946308291 /nfs/dbraw/zinc/30/82/91/946308291.db2.gz CAZZTKNSNUUYKP-MGPQQGTHSA-N -1 1 391.439 1.087 20 0 GDADMM O=C(N1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1)C1(c2cccnc2)CC1 ZINC001571302882 946318331 /nfs/dbraw/zinc/31/83/31/946318331.db2.gz IKFZJCOKARKNIB-AWEZNQCLSA-N -1 1 391.439 1.186 20 0 GDADMM O=C(N1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1)C1(c2cccnc2)CC1 ZINC001571302882 946318346 /nfs/dbraw/zinc/31/83/46/946318346.db2.gz IKFZJCOKARKNIB-AWEZNQCLSA-N -1 1 391.439 1.186 20 0 GDADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCN(C(=O)c2ccnc(C3CC3)c2)C1 ZINC001571303688 946344125 /nfs/dbraw/zinc/34/41/25/946344125.db2.gz PJHYLBPNQNULAS-CQSZACIVSA-N -1 1 391.439 1.280 20 0 GDADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCN(C(=O)c2ccnc(C3CC3)c2)C1 ZINC001571303688 946344137 /nfs/dbraw/zinc/34/41/37/946344137.db2.gz PJHYLBPNQNULAS-CQSZACIVSA-N -1 1 391.439 1.280 20 0 GDADMM O=C(c1ncc(Cl)s1)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571305890 946377799 /nfs/dbraw/zinc/37/77/99/946377799.db2.gz NCHJLXNRTHZZJL-UHFFFAOYSA-N -1 1 391.848 1.119 20 0 GDADMM O=C(c1ncc(Cl)s1)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571305890 946377810 /nfs/dbraw/zinc/37/78/10/946377810.db2.gz NCHJLXNRTHZZJL-UHFFFAOYSA-N -1 1 391.848 1.119 20 0 GDADMM Cc1nsc(N(C)[C@@H]2CCCN(C(=O)C[C@H]3CCCO3)C2)c1-c1nn[n-]n1 ZINC001571306057 946385206 /nfs/dbraw/zinc/38/52/06/946385206.db2.gz OTSIPJLFKSGSFH-CHWSQXEVSA-N -1 1 391.501 1.628 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1scnc1Cl ZINC001571306544 946402081 /nfs/dbraw/zinc/40/20/81/946402081.db2.gz XCPJCTFMVMLZMW-HTQZYQBOSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1scnc1Cl ZINC001571306544 946402087 /nfs/dbraw/zinc/40/20/87/946402087.db2.gz XCPJCTFMVMLZMW-HTQZYQBOSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ncccn2)CCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC001571306524 946402449 /nfs/dbraw/zinc/40/24/49/946402449.db2.gz WQRFSDIKIZONKR-SFYZADRCSA-N -1 1 391.848 1.164 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ncccn2)CCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC001571306524 946402455 /nfs/dbraw/zinc/40/24/55/946402455.db2.gz WQRFSDIKIZONKR-SFYZADRCSA-N -1 1 391.848 1.164 20 0 GDADMM CN(c1nccnc1-c1nnn[n-]1)[C@H]1CCN(C(=O)C[C@H]2CCCC2(F)F)C1 ZINC001571307903 946427760 /nfs/dbraw/zinc/42/77/60/946427760.db2.gz JLFLGQRNRNTPDE-NEPJUHHUSA-N -1 1 392.414 1.519 20 0 GDADMM CN(c1nccnc1-c1nn[n-]n1)[C@H]1CCN(C(=O)C[C@H]2CCCC2(F)F)C1 ZINC001571307903 946427764 /nfs/dbraw/zinc/42/77/64/946427764.db2.gz JLFLGQRNRNTPDE-NEPJUHHUSA-N -1 1 392.414 1.519 20 0 GDADMM CCc1cc(NC(=O)Nc2ccc(Br)c(-c3nnn[n-]3)n2)nn1C ZINC001571308088 946429254 /nfs/dbraw/zinc/42/92/54/946429254.db2.gz LZGDWXYSRQPOLA-UHFFFAOYSA-N -1 1 392.221 1.964 20 0 GDADMM CCc1cc(NC(=O)Nc2ccc(Br)c(-c3nn[n-]n3)n2)nn1C ZINC001571308088 946429261 /nfs/dbraw/zinc/42/92/61/946429261.db2.gz LZGDWXYSRQPOLA-UHFFFAOYSA-N -1 1 392.221 1.964 20 0 GDADMM CCc1nc(NC2CCC(NC(=O)[C@H]3CC3(F)F)CC2)cc(-c2nnn[n-]2)n1 ZINC001571308044 946429278 /nfs/dbraw/zinc/42/92/78/946429278.db2.gz KNAAUVHBHZZMJI-VQXHTEKXSA-N -1 1 392.414 1.714 20 0 GDADMM CCc1nc(NC2CCC(NC(=O)[C@H]3CC3(F)F)CC2)cc(-c2nn[n-]n2)n1 ZINC001571308044 946429289 /nfs/dbraw/zinc/42/92/89/946429289.db2.gz KNAAUVHBHZZMJI-VQXHTEKXSA-N -1 1 392.414 1.714 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NCC2CCN(C(=O)C3(C(F)F)CC3)CC2)n1 ZINC001571308395 946433330 /nfs/dbraw/zinc/43/33/30/946433330.db2.gz POCVFPIPAKRPOU-UHFFFAOYSA-N -1 1 392.414 1.661 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NCC2CCN(C(=O)C3(C(F)F)CC3)CC2)n1 ZINC001571308395 946433335 /nfs/dbraw/zinc/43/33/35/946433335.db2.gz POCVFPIPAKRPOU-UHFFFAOYSA-N -1 1 392.414 1.661 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCCN2C(=O)[C@@H]2CCC(F)(F)C2)n1 ZINC001571308527 946433861 /nfs/dbraw/zinc/43/38/61/946433861.db2.gz PZLCQGUOOQXKPB-VXGBXAGGSA-N -1 1 392.414 1.803 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCCN2C(=O)[C@@H]2CCC(F)(F)C2)n1 ZINC001571308527 946433868 /nfs/dbraw/zinc/43/38/68/946433868.db2.gz PZLCQGUOOQXKPB-VXGBXAGGSA-N -1 1 392.414 1.803 20 0 GDADMM CC1(C)C[C@H]1C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCC1(F)F ZINC001571308737 946436297 /nfs/dbraw/zinc/43/62/97/946436297.db2.gz SPSZKWLJLLAFMT-MNOVXSKESA-N -1 1 392.414 1.281 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](NC(=O)[C@H]3C[C@@H]3C(F)F)CC2)n1 ZINC001571308768 946437297 /nfs/dbraw/zinc/43/72/97/946437297.db2.gz SQYXQJVCFXJMSX-WOPDTQHZSA-N -1 1 392.414 1.341 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](NC(=O)[C@H]3C[C@@H]3C(F)F)CC2)n1 ZINC001571308768 946437301 /nfs/dbraw/zinc/43/73/01/946437301.db2.gz SQYXQJVCFXJMSX-WOPDTQHZSA-N -1 1 392.414 1.341 20 0 GDADMM O=C(Cn1c2c(cc(-c3nn[n-]n3)c1=O)CCC2)N[C@@H]1CCOc2ccccc21 ZINC001571309892 946457440 /nfs/dbraw/zinc/45/74/40/946457440.db2.gz OQKHQMAKSBBADF-OAHLLOKOSA-N -1 1 392.419 1.157 20 0 GDADMM O=C(Cn1c2c(cc(-c3nn[n-]n3)c1=O)CCC2)N[C@H]1CCOc2ccccc21 ZINC001571309891 946458102 /nfs/dbraw/zinc/45/81/02/946458102.db2.gz OQKHQMAKSBBADF-HNNXBMFYSA-N -1 1 392.419 1.157 20 0 GDADMM O=S(=O)(N[C@@H]1CCO[C@@H](c2cccs2)C1)c1cccnc1-c1nn[n-]n1 ZINC001571311385 946487413 /nfs/dbraw/zinc/48/74/13/946487413.db2.gz WKTBQGFGPXYQRR-GHMZBOCLSA-N -1 1 392.466 1.522 20 0 GDADMM O=C(c1ccc2c(c1)COC2)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571312853 946503000 /nfs/dbraw/zinc/50/30/00/946503000.db2.gz LERJENGUUBMPFD-OAHLLOKOSA-N -1 1 392.423 1.404 20 0 GDADMM O=C(c1ccc2c(c1)COC2)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571312853 946503004 /nfs/dbraw/zinc/50/30/04/946503004.db2.gz LERJENGUUBMPFD-OAHLLOKOSA-N -1 1 392.423 1.404 20 0 GDADMM CC[C@H](Cc1ccccc1)C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571312933 946504941 /nfs/dbraw/zinc/50/49/41/946504941.db2.gz FXSGGXFBTPBSQT-CVEARBPZSA-N -1 1 392.467 1.938 20 0 GDADMM CC[C@H](Cc1ccccc1)C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571312933 946504953 /nfs/dbraw/zinc/50/49/53/946504953.db2.gz FXSGGXFBTPBSQT-CVEARBPZSA-N -1 1 392.467 1.938 20 0 GDADMM CCCc1ccc(C(=O)N2CC[C@H](N(C)c3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001571313024 946508631 /nfs/dbraw/zinc/50/86/31/946508631.db2.gz IAIZORSTCQAKHZ-INIZCTEOSA-N -1 1 392.467 1.960 20 0 GDADMM CCCc1ccc(C(=O)N2CC[C@H](N(C)c3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001571313024 946508641 /nfs/dbraw/zinc/50/86/41/946508641.db2.gz IAIZORSTCQAKHZ-INIZCTEOSA-N -1 1 392.467 1.960 20 0 GDADMM CCc1ccc(C(=O)NC[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001571313787 946532085 /nfs/dbraw/zinc/53/20/85/946532085.db2.gz WEWNVDWZFRIZFM-OAHLLOKOSA-N -1 1 392.467 1.866 20 0 GDADMM CCc1ccc(C(=O)NC[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001571313787 946532093 /nfs/dbraw/zinc/53/20/93/946532093.db2.gz WEWNVDWZFRIZFM-OAHLLOKOSA-N -1 1 392.467 1.866 20 0 GDADMM Cc1ccc(CCC(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H]2C)cc1 ZINC001571315407 946553196 /nfs/dbraw/zinc/55/31/96/946553196.db2.gz JOWZBFQKLGATPO-HOCLYGCPSA-N -1 1 392.467 1.999 20 0 GDADMM Cc1ccc(CCC(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H]2C)cc1 ZINC001571315407 946553205 /nfs/dbraw/zinc/55/32/05/946553205.db2.gz JOWZBFQKLGATPO-HOCLYGCPSA-N -1 1 392.467 1.999 20 0 GDADMM Cc1ccc(C)c(CC(=O)N[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C)c1 ZINC001571315863 946560978 /nfs/dbraw/zinc/56/09/78/946560978.db2.gz QAXHSCFFKCSRFV-GDBMZVCRSA-N -1 1 392.467 1.457 20 0 GDADMM Cc1cccc(CC(=O)N[C@H]2CC[C@H](CNc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571316538 946579892 /nfs/dbraw/zinc/57/98/92/946579892.db2.gz FWLORHSWXBFAPC-HOTGVXAUSA-N -1 1 392.467 1.905 20 0 GDADMM Cc1cccc(CC(=O)N[C@H]2CC[C@H](CNc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571316538 946579899 /nfs/dbraw/zinc/57/98/99/946579899.db2.gz FWLORHSWXBFAPC-HOTGVXAUSA-N -1 1 392.467 1.905 20 0 GDADMM Cc1cccc(CC(=O)N[C@H]2C[C@H](CNc3nc(C)cc(-c4nnn[n-]4)n3)C2)c1 ZINC001571317121 946601047 /nfs/dbraw/zinc/60/10/47/946601047.db2.gz VRCJTZOIXFIVQL-WKILWMFISA-N -1 1 392.467 1.823 20 0 GDADMM Cc1cccc(CC(=O)N[C@H]2C[C@H](CNc3nc(C)cc(-c4nn[n-]n4)n3)C2)c1 ZINC001571317121 946601052 /nfs/dbraw/zinc/60/10/52/946601052.db2.gz VRCJTZOIXFIVQL-WKILWMFISA-N -1 1 392.467 1.823 20 0 GDADMM Cc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nc(Cl)c(-c3nnn[n-]3)s2)no1 ZINC001571317331 946606930 /nfs/dbraw/zinc/60/69/30/946606930.db2.gz DCHYMMPKCFPNQU-YUMQZZPRSA-N -1 1 392.832 1.376 20 0 GDADMM Cc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nc(Cl)c(-c3nn[n-]n3)s2)no1 ZINC001571317331 946606937 /nfs/dbraw/zinc/60/69/37/946606937.db2.gz DCHYMMPKCFPNQU-YUMQZZPRSA-N -1 1 392.832 1.376 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2snc(Cl)c2-c2nn[nH]n2)C1)c1ncccc1[O-] ZINC001571317621 946615223 /nfs/dbraw/zinc/61/52/23/946615223.db2.gz OMVOOLOWGKDDCT-LJGSYFOKSA-N -1 1 392.832 1.450 20 0 GDADMM CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000824207384 946624279 /nfs/dbraw/zinc/62/42/79/946624279.db2.gz VMFOJAMIQDHHQY-DOMZBBRYSA-N -1 1 397.443 1.189 20 0 GDADMM C[C@@H]1COc2ccccc2CN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825013851 947045118 /nfs/dbraw/zinc/04/51/18/947045118.db2.gz SARFYQWSWLPGCX-LLVKDONJSA-N -1 1 389.412 1.978 20 0 GDADMM CC[C@H]1C[C@@H](OC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)CCO1 ZINC000825181964 947109260 /nfs/dbraw/zinc/10/92/60/947109260.db2.gz GTKMIKBUCLLSIX-KBPBESRZSA-N -1 1 399.455 1.960 20 0 GDADMM CC[C@H]1C[C@@H](OC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)CCO1 ZINC000825181964 947109268 /nfs/dbraw/zinc/10/92/68/947109268.db2.gz GTKMIKBUCLLSIX-KBPBESRZSA-N -1 1 399.455 1.960 20 0 GDADMM CCCN(C[C@@H]1COc2ccccc2O1)C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825313446 947148987 /nfs/dbraw/zinc/14/89/87/947148987.db2.gz FXAFBFCPTNOSRR-CYBMUJFWSA-N -1 1 398.423 1.784 20 0 GDADMM CCCN(C[C@@H]1COc2ccccc2O1)C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825313446 947148992 /nfs/dbraw/zinc/14/89/92/947148992.db2.gz FXAFBFCPTNOSRR-CYBMUJFWSA-N -1 1 398.423 1.784 20 0 GDADMM CCOC(=O)c1cnn(Cc2nc(-c3ccc(OC)cc3)no2)c1-c1nn[n-]n1 ZINC000825570079 947228906 /nfs/dbraw/zinc/22/89/06/947228906.db2.gz FCJYNNDTMYINJF-UHFFFAOYSA-N -1 1 396.367 1.347 20 0 GDADMM CCOC(=O)c1cnn(Cc2csc([C@H](C)OCC)n2)c1-c1nn[n-]n1 ZINC000825571009 947232999 /nfs/dbraw/zinc/23/29/99/947232999.db2.gz RZJYYHHCNUXHJS-VIFPVBQESA-N -1 1 377.430 1.842 20 0 GDADMM C=C/C(C)=C\CC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001573315122 947243303 /nfs/dbraw/zinc/24/33/03/947243303.db2.gz ASJREDLTXOIOSS-BABFWUTDSA-N -1 1 380.456 1.749 20 0 GDADMM C=C/C(C)=C\CC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001573315122 947243317 /nfs/dbraw/zinc/24/33/17/947243317.db2.gz ASJREDLTXOIOSS-BABFWUTDSA-N -1 1 380.456 1.749 20 0 GDADMM C[C@@H](C(=O)N(C)[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1)c1ccccc1F ZINC001573586147 947280331 /nfs/dbraw/zinc/28/03/31/947280331.db2.gz KZWBUQFQXWAVFM-NWDGAFQWSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@@H](C(=O)N(C)[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1)c1ccccc1F ZINC001573586147 947280341 /nfs/dbraw/zinc/28/03/41/947280341.db2.gz KZWBUQFQXWAVFM-NWDGAFQWSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@H](C(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccsc1 ZINC001573591544 947312261 /nfs/dbraw/zinc/31/22/61/947312261.db2.gz CPAQMCXGDCSOIY-WCQYABFASA-N -1 1 384.469 1.559 20 0 GDADMM C[C@H](C(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccsc1 ZINC001573591544 947312272 /nfs/dbraw/zinc/31/22/72/947312272.db2.gz CPAQMCXGDCSOIY-WCQYABFASA-N -1 1 384.469 1.559 20 0 GDADMM C[C@H](C(=O)N(C)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C(F)(F)F ZINC001573592833 947351938 /nfs/dbraw/zinc/35/19/38/947351938.db2.gz NVMKPZSYXRQJIH-SECBINFHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@H](C(=O)N(C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C(F)(F)F ZINC001573592833 947351954 /nfs/dbraw/zinc/35/19/54/947351954.db2.gz NVMKPZSYXRQJIH-SECBINFHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@H](C(=O)N(C)CCCN(C)c1nccnc1-c1nnn[n-]1)c1cccs1 ZINC001573595920 947424505 /nfs/dbraw/zinc/42/45/05/947424505.db2.gz HPASEOWWWIXRIG-LBPRGKRZSA-N -1 1 386.485 1.807 20 0 GDADMM C[C@H](C(=O)N(C)CCCN(C)c1nccnc1-c1nn[n-]n1)c1cccs1 ZINC001573595920 947424512 /nfs/dbraw/zinc/42/45/12/947424512.db2.gz HPASEOWWWIXRIG-LBPRGKRZSA-N -1 1 386.485 1.807 20 0 GDADMM CC(C)N(CCN(C)c1ccc(-c2nnn[n-]2)nn1)C(=O)[C@@H](C)[C@@H]1CCCO1 ZINC001573604720 947514873 /nfs/dbraw/zinc/51/48/73/947514873.db2.gz QHHJDGUMNIWDBU-ZFWWWQNUSA-N -1 1 388.476 1.145 20 0 GDADMM CC(C)N(CCN(C)c1ccc(-c2nn[n-]n2)nn1)C(=O)[C@@H](C)[C@@H]1CCCO1 ZINC001573604720 947514883 /nfs/dbraw/zinc/51/48/83/947514883.db2.gz QHHJDGUMNIWDBU-ZFWWWQNUSA-N -1 1 388.476 1.145 20 0 GDADMM C[C@H](C(=O)N(CCO)CCNc1cnc(-c2nnn[n-]2)cn1)[C@H](C)C(C)(C)C ZINC001573607114 947540343 /nfs/dbraw/zinc/54/03/43/947540343.db2.gz FREOEMURNRVUIH-STQMWFEESA-N -1 1 390.492 1.208 20 0 GDADMM C[C@H](C(=O)N(CCO)CCNc1cnc(-c2nn[n-]n2)cn1)[C@H](C)C(C)(C)C ZINC001573607114 947540352 /nfs/dbraw/zinc/54/03/52/947540352.db2.gz FREOEMURNRVUIH-STQMWFEESA-N -1 1 390.492 1.208 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@H](CN(C)c3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573350485 947598468 /nfs/dbraw/zinc/59/84/68/947598468.db2.gz CHWWQZRUKDGLAX-OAHLLOKOSA-N -1 1 390.451 1.898 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1)C(C)(F)F ZINC001573615200 947601949 /nfs/dbraw/zinc/60/19/49/947601949.db2.gz IYSPHXJRTLOYPZ-WDEREUQCSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CCNc2cncc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573615200 947601958 /nfs/dbraw/zinc/60/19/58/947601958.db2.gz IYSPHXJRTLOYPZ-WDEREUQCSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H](C(=O)N1CCC(C)(Nc2ccc(-c3nnn[n-]3)nn2)CC1)[C@H]1CCCO1 ZINC001573615732 947610321 /nfs/dbraw/zinc/61/03/21/947610321.db2.gz KBVHDBFXTJFINC-TZMCWYRMSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H](C(=O)N1CCC(C)(Nc2ccc(-c3nn[n-]n3)nn2)CC1)[C@H]1CCCO1 ZINC001573615732 947610327 /nfs/dbraw/zinc/61/03/27/947610327.db2.gz KBVHDBFXTJFINC-TZMCWYRMSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)c1ccsc1 ZINC001573616374 947622195 /nfs/dbraw/zinc/62/21/95/947622195.db2.gz IJDOQWZKOCXHHY-DGCLKSJQSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)c1ccsc1 ZINC001573616374 947622200 /nfs/dbraw/zinc/62/22/00/947622200.db2.gz IJDOQWZKOCXHHY-DGCLKSJQSA-N -1 1 384.469 1.559 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001573354332 947629894 /nfs/dbraw/zinc/62/98/94/947629894.db2.gz AKSVGOTWXKXWPF-OAHLLOKOSA-N -1 1 390.451 1.946 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001573354332 947629897 /nfs/dbraw/zinc/62/98/97/947629897.db2.gz AKSVGOTWXKXWPF-OAHLLOKOSA-N -1 1 390.451 1.946 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CN(C)c2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001573617384 947633485 /nfs/dbraw/zinc/63/34/85/947633485.db2.gz OYZQCEXXJFNXAI-STQMWFEESA-N -1 1 382.428 1.338 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CN(C)c2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001573617384 947633494 /nfs/dbraw/zinc/63/34/94/947633494.db2.gz OYZQCEXXJFNXAI-STQMWFEESA-N -1 1 382.428 1.338 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CN(C)c2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001573617266 947634935 /nfs/dbraw/zinc/63/49/35/947634935.db2.gz ONVNHAWAGWMVST-VHSXEESVSA-N -1 1 384.366 1.140 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CN(C)c2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001573617266 947634939 /nfs/dbraw/zinc/63/49/39/947634939.db2.gz ONVNHAWAGWMVST-VHSXEESVSA-N -1 1 384.366 1.140 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CCNc2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001573617500 947636570 /nfs/dbraw/zinc/63/65/70/947636570.db2.gz PJXFQJLMGDIDNX-KBPBESRZSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CCNc2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001573617500 947636576 /nfs/dbraw/zinc/63/65/76/947636576.db2.gz PJXFQJLMGDIDNX-KBPBESRZSA-N -1 1 381.444 1.370 20 0 GDADMM C=Cc1ccc(C(=O)N2C[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]3C2)cc1 ZINC001573355048 947639172 /nfs/dbraw/zinc/63/91/72/947639172.db2.gz LFHOPCJCBZBQTR-IYBDPMFKSA-N -1 1 388.435 1.508 20 0 GDADMM COc1cccc2c1CCN(S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)C2 ZINC000826218115 947644567 /nfs/dbraw/zinc/64/45/67/947644567.db2.gz PNKDJDOUQQCGBX-UHFFFAOYSA-N -1 1 389.412 1.761 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@H](CO)Nc2snc(C)c2-c2nn[n-]n2)cc1 ZINC001573355895 947644845 /nfs/dbraw/zinc/64/48/45/947644845.db2.gz SFXIRLLSXKEZQJ-CYBMUJFWSA-N -1 1 385.453 1.477 20 0 GDADMM C/C(=C\C(=O)N(C)C[C@@H](O)CNc1snc(C)c1-c1nn[n-]n1)C1CC1 ZINC001573357924 947654137 /nfs/dbraw/zinc/65/41/37/947654137.db2.gz COJQNGBDBHZFFK-LZGFCCKTSA-N -1 1 377.474 1.219 20 0 GDADMM C[C@@H](C(=O)N1CCC(CN(C)c2cnc(-c3nnn[n-]3)cn2)CC1)C1CCC1 ZINC001573618899 947657102 /nfs/dbraw/zinc/65/71/02/947657102.db2.gz SVBYJVHVGQRJOR-CYBMUJFWSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](C(=O)N1CCC(CN(C)c2cnc(-c3nn[n-]n3)cn2)CC1)C1CCC1 ZINC001573618899 947657106 /nfs/dbraw/zinc/65/71/06/947657106.db2.gz SVBYJVHVGQRJOR-CYBMUJFWSA-N -1 1 384.488 1.768 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C)cc1 ZINC001573358224 947659988 /nfs/dbraw/zinc/65/99/88/947659988.db2.gz CKMVJEAIHLXEQV-MLGOLLRUSA-N -1 1 376.424 1.554 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C)cc1 ZINC001573358224 947659997 /nfs/dbraw/zinc/65/99/97/947659997.db2.gz CKMVJEAIHLXEQV-MLGOLLRUSA-N -1 1 376.424 1.554 20 0 GDADMM C[C@@H](C(=O)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1)c1ccsc1 ZINC001573622580 947681085 /nfs/dbraw/zinc/68/10/85/947681085.db2.gz BCDDTAOMKSYGAV-LLVKDONJSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@@H](C(=O)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1)c1ccsc1 ZINC001573622580 947681089 /nfs/dbraw/zinc/68/10/89/947681089.db2.gz BCDDTAOMKSYGAV-LLVKDONJSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@H](C(=O)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1)c1ccsc1 ZINC001573622582 947681199 /nfs/dbraw/zinc/68/11/99/947681199.db2.gz BCDDTAOMKSYGAV-NSHDSACASA-N -1 1 384.469 1.925 20 0 GDADMM C[C@H](C(=O)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1)c1ccsc1 ZINC001573622582 947681205 /nfs/dbraw/zinc/68/12/05/947681205.db2.gz BCDDTAOMKSYGAV-NSHDSACASA-N -1 1 384.469 1.925 20 0 GDADMM C[C@H](C(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1)c1cccs1 ZINC001573624300 947693925 /nfs/dbraw/zinc/69/39/25/947693925.db2.gz KLVMCXZFYRSAQC-NSHDSACASA-N -1 1 384.469 1.925 20 0 GDADMM C[C@H](C(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1)c1cccs1 ZINC001573624300 947693933 /nfs/dbraw/zinc/69/39/33/947693933.db2.gz KLVMCXZFYRSAQC-NSHDSACASA-N -1 1 384.469 1.925 20 0 GDADMM C/C(=C\C(=O)NCC1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001573361796 947696862 /nfs/dbraw/zinc/69/68/62/947696862.db2.gz DXJZGFPQKRMUBQ-ACCUITESSA-N -1 1 382.472 1.736 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccccc1F ZINC001573625616 947702182 /nfs/dbraw/zinc/70/21/82/947702182.db2.gz PRMPCGRDZMJJOG-NEPJUHHUSA-N -1 1 382.403 1.612 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccccc1F ZINC001573625616 947702187 /nfs/dbraw/zinc/70/21/87/947702187.db2.gz PRMPCGRDZMJJOG-NEPJUHHUSA-N -1 1 382.403 1.612 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)c1ccsc1 ZINC001573627435 947724846 /nfs/dbraw/zinc/72/48/46/947724846.db2.gz BHOIHWMMDUEXEU-YPMHNXCESA-N -1 1 384.469 1.347 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1)n1cccc1 ZINC001573627638 947728521 /nfs/dbraw/zinc/72/85/21/947728521.db2.gz DAQALGBTOXONCR-UONOGXRCSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1)n1cccc1 ZINC001573627638 947728525 /nfs/dbraw/zinc/72/85/25/947728525.db2.gz DAQALGBTOXONCR-UONOGXRCSA-N -1 1 381.444 1.512 20 0 GDADMM Cc1cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)ccc1O ZINC000826258118 947743534 /nfs/dbraw/zinc/74/35/34/947743534.db2.gz ACIXPMWNKIXURF-GFCCVEGCSA-N -1 1 380.412 1.022 20 0 GDADMM Cc1cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)ccc1O ZINC000826258118 947743543 /nfs/dbraw/zinc/74/35/43/947743543.db2.gz ACIXPMWNKIXURF-GFCCVEGCSA-N -1 1 380.412 1.022 20 0 GDADMM C/C(=C\C(=O)N[C@@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C12CCC2)C1CC1 ZINC001573366754 947745340 /nfs/dbraw/zinc/74/53/40/947745340.db2.gz XYJBRWYEJPFEMK-PFYGFVOHSA-N -1 1 380.456 1.852 20 0 GDADMM C/C(=C\C(=O)N[C@@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C12CCC2)C1CC1 ZINC001573366754 947745348 /nfs/dbraw/zinc/74/53/48/947745348.db2.gz XYJBRWYEJPFEMK-PFYGFVOHSA-N -1 1 380.456 1.852 20 0 GDADMM C/C(=C\C(=O)NCC[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1)C1CC1 ZINC001573366834 947747700 /nfs/dbraw/zinc/74/77/00/947747700.db2.gz YQOVVKKXGRNPAP-TZIYXEQSSA-N -1 1 382.472 1.654 20 0 GDADMM C/C(=C\C(=O)NCC[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001573366834 947747713 /nfs/dbraw/zinc/74/77/13/947747713.db2.gz YQOVVKKXGRNPAP-TZIYXEQSSA-N -1 1 382.472 1.654 20 0 GDADMM CC(=O)CCCC(=O)N(C)CCCN(C)c1snc(C)c1-c1nn[n-]n1 ZINC001573367514 947760706 /nfs/dbraw/zinc/76/07/06/947760706.db2.gz DJBPQQDWHLUHBK-UHFFFAOYSA-N -1 1 379.490 1.676 20 0 GDADMM CC(C(=O)N1CC[C@@H]2[C@@H](CCN2c2ccc(-c3nnn[n-]3)nn2)C1)=C1CCC1 ZINC001573628764 947763156 /nfs/dbraw/zinc/76/31/56/947763156.db2.gz JWBNQFPYBJVUIP-GOEBONIOSA-N -1 1 380.456 1.584 20 0 GDADMM CC(C(=O)N1CC[C@@H]2[C@@H](CCN2c2ccc(-c3nn[n-]n3)nn2)C1)=C1CCC1 ZINC001573628764 947763159 /nfs/dbraw/zinc/76/31/59/947763159.db2.gz JWBNQFPYBJVUIP-GOEBONIOSA-N -1 1 380.456 1.584 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@H](N(C)c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573372952 947786009 /nfs/dbraw/zinc/78/60/09/947786009.db2.gz GHBIGQGDUWZWMP-LBPRGKRZSA-N -1 1 377.474 1.428 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2 ZINC001573373065 947789021 /nfs/dbraw/zinc/78/90/21/947789021.db2.gz AITIDCOUYMEROP-KBPBESRZSA-N -1 1 384.444 1.255 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2 ZINC001573373065 947789026 /nfs/dbraw/zinc/78/90/26/947789026.db2.gz AITIDCOUYMEROP-KBPBESRZSA-N -1 1 384.444 1.255 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](CNc2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001573630820 947797050 /nfs/dbraw/zinc/79/70/50/947797050.db2.gz SOZILHOLLVMLES-VHSXEESVSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](CNc2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001573630820 947797056 /nfs/dbraw/zinc/79/70/56/947797056.db2.gz SOZILHOLLVMLES-VHSXEESVSA-N -1 1 384.366 1.506 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CCCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573373861 947798582 /nfs/dbraw/zinc/79/85/82/947798582.db2.gz GNIKZFPSRJQIAZ-ZIAGYGMSSA-N -1 1 386.460 1.503 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CCCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573373861 947798587 /nfs/dbraw/zinc/79/85/87/947798587.db2.gz GNIKZFPSRJQIAZ-ZIAGYGMSSA-N -1 1 386.460 1.503 20 0 GDADMM CC(=O)CCCC(=O)N[C@@]12CCC[C@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001573375149 947815556 /nfs/dbraw/zinc/81/55/56/947815556.db2.gz MJHCCZICBXQUTL-RDTXWAMCSA-N -1 1 384.444 1.034 20 0 GDADMM CC(=O)CCCC(=O)N[C@@]12CCC[C@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001573375149 947815564 /nfs/dbraw/zinc/81/55/64/947815564.db2.gz MJHCCZICBXQUTL-RDTXWAMCSA-N -1 1 384.444 1.034 20 0 GDADMM C[C@@H](C(=O)N1CCCO[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)C(C)(C)C ZINC001573637957 947828943 /nfs/dbraw/zinc/82/89/43/947828943.db2.gz XCFPISKXEMBVFH-STQMWFEESA-N -1 1 388.476 1.368 20 0 GDADMM C[C@@H](C(=O)N1CCCO[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)C(C)(C)C ZINC001573637957 947828956 /nfs/dbraw/zinc/82/89/56/947828956.db2.gz XCFPISKXEMBVFH-STQMWFEESA-N -1 1 388.476 1.368 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CC[C@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573376510 947838863 /nfs/dbraw/zinc/83/88/63/947838863.db2.gz WFJPAORYYZXTIE-KBPBESRZSA-N -1 1 386.460 1.421 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CC[C@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573376510 947838870 /nfs/dbraw/zinc/83/88/70/947838870.db2.gz WFJPAORYYZXTIE-KBPBESRZSA-N -1 1 386.460 1.421 20 0 GDADMM C[C@H](C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1)c1cnn(C)c1 ZINC001573638543 947839299 /nfs/dbraw/zinc/83/92/99/947839299.db2.gz OTOYAKSJKAFFQI-LBPRGKRZSA-N -1 1 386.485 1.110 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)C1CCC1 ZINC001573638868 947844463 /nfs/dbraw/zinc/84/44/63/947844463.db2.gz XKXJSWVOTNZLEA-VHDGCEQUSA-N -1 1 382.472 1.520 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)C1CCC1 ZINC001573638868 947844471 /nfs/dbraw/zinc/84/44/71/947844471.db2.gz XKXJSWVOTNZLEA-VHDGCEQUSA-N -1 1 382.472 1.520 20 0 GDADMM Cc1onc(CC(=O)Nc2cc(N3CCOC3=O)ccc2C)c1-c1nnn[n-]1 ZINC000826290706 947845493 /nfs/dbraw/zinc/84/54/93/947845493.db2.gz WIUWHJGKJXCHSE-UHFFFAOYSA-N -1 1 383.368 1.609 20 0 GDADMM Cc1onc(CC(=O)Nc2cc(N3CCOC3=O)ccc2C)c1-c1nn[n-]n1 ZINC000826290706 947845500 /nfs/dbraw/zinc/84/55/00/947845500.db2.gz WIUWHJGKJXCHSE-UHFFFAOYSA-N -1 1 383.368 1.609 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H](C)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573377156 947849107 /nfs/dbraw/zinc/84/91/07/947849107.db2.gz JLVDOKUEYPWCMV-UONOGXRCSA-N -1 1 386.460 1.137 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H](C)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573377156 947849113 /nfs/dbraw/zinc/84/91/13/947849113.db2.gz JLVDOKUEYPWCMV-UONOGXRCSA-N -1 1 386.460 1.137 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001573377736 947852940 /nfs/dbraw/zinc/85/29/40/947852940.db2.gz SDPZSKWJTZENIZ-AWEZNQCLSA-N -1 1 386.460 1.233 20 0 GDADMM C[C@@H](C(=O)N1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1)C(C)(F)F ZINC001573641216 947856211 /nfs/dbraw/zinc/85/62/11/947856211.db2.gz LNWRHOGEYPJLGD-ZETCQYMHSA-N -1 1 391.835 1.917 20 0 GDADMM C[C@@H](C(=O)N1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1)C(C)(F)F ZINC001573641216 947856216 /nfs/dbraw/zinc/85/62/16/947856216.db2.gz LNWRHOGEYPJLGD-ZETCQYMHSA-N -1 1 391.835 1.917 20 0 GDADMM CC(=O)CCCC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCCCC1 ZINC001573380867 947865589 /nfs/dbraw/zinc/86/55/89/947865589.db2.gz ITZKWOWZIYHSFQ-UHFFFAOYSA-N -1 1 386.460 1.069 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)C1CCCC1 ZINC001573646771 947878452 /nfs/dbraw/zinc/87/84/52/947878452.db2.gz UIEKCMOKEOIPPT-VHDGCEQUSA-N -1 1 382.472 1.520 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)C1CCCC1 ZINC001573646771 947878460 /nfs/dbraw/zinc/87/84/60/947878460.db2.gz UIEKCMOKEOIPPT-VHDGCEQUSA-N -1 1 382.472 1.520 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](C)[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001573647094 947884793 /nfs/dbraw/zinc/88/47/93/947884793.db2.gz BZBYMIDFJGVTIL-MGPQQGTHSA-N -1 1 396.455 1.950 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](C)[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001573647094 947884798 /nfs/dbraw/zinc/88/47/98/947884798.db2.gz BZBYMIDFJGVTIL-MGPQQGTHSA-N -1 1 396.455 1.950 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ccsc1 ZINC001573647370 947892869 /nfs/dbraw/zinc/89/28/69/947892869.db2.gz JAJCAMOEGXVYCD-NQBHXWOUSA-N -1 1 384.469 1.781 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ccsc1 ZINC001573647370 947892876 /nfs/dbraw/zinc/89/28/76/947892876.db2.gz JAJCAMOEGXVYCD-NQBHXWOUSA-N -1 1 384.469 1.781 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C(C)(C)C)n1cccc1 ZINC001573652648 947944433 /nfs/dbraw/zinc/94/44/33/947944433.db2.gz FTSBWTOBDXGROP-GXTWGEPZSA-N -1 1 383.460 1.662 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C(C)(C)C)n1cccc1 ZINC001573652648 947944441 /nfs/dbraw/zinc/94/44/41/947944441.db2.gz FTSBWTOBDXGROP-GXTWGEPZSA-N -1 1 383.460 1.662 20 0 GDADMM C[C@@H](C(=O)N[C@](C)(CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)C(F)(F)F ZINC001573652900 947949174 /nfs/dbraw/zinc/94/91/74/947949174.db2.gz IAXBASQJWQGDBO-RMLUDKJBSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](C(=O)N[C@](C)(CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)C(F)(F)F ZINC001573652900 947949179 /nfs/dbraw/zinc/94/91/79/947949179.db2.gz IAXBASQJWQGDBO-RMLUDKJBSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C(C)(C)C)c1ccco1 ZINC001573653123 947951743 /nfs/dbraw/zinc/95/17/43/947951743.db2.gz JHAXVNMVTIDLEI-FZMZJTMJSA-N -1 1 384.444 1.996 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C(C)(C)C)c1ccco1 ZINC001573653123 947951752 /nfs/dbraw/zinc/95/17/52/947951752.db2.gz JHAXVNMVTIDLEI-FZMZJTMJSA-N -1 1 384.444 1.996 20 0 GDADMM C[C@H](C(=O)N[C@@](C)(CNc1nccnc1-c1nnn[n-]1)C1CC1)C(F)(F)F ZINC001573654501 947968276 /nfs/dbraw/zinc/96/82/76/947968276.db2.gz ROPSAFQGTFBXHP-CLAHSXSESA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](C(=O)N[C@@](C)(CNc1nccnc1-c1nn[n-]n1)C1CC1)C(F)(F)F ZINC001573654501 947968282 /nfs/dbraw/zinc/96/82/82/947968282.db2.gz ROPSAFQGTFBXHP-CLAHSXSESA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C(C)(C)C)C(C)(F)F ZINC001573655191 947973905 /nfs/dbraw/zinc/97/39/05/947973905.db2.gz WJTWTXYUEKNGSN-UWVGGRQHSA-N -1 1 382.419 1.313 20 0 GDADMM NC(=O)CSc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000328082280 971445183 /nfs/dbraw/zinc/44/51/83/971445183.db2.gz SSFZQLUJCOYESE-UHFFFAOYSA-N -1 1 384.410 1.902 20 0 GDADMM Cc1oc(NC(=O)COC(=O)CSc2nncs2)c(-c2nn[n-]n2)c1C ZINC000826342737 947984150 /nfs/dbraw/zinc/98/41/50/947984150.db2.gz XVCIBURRXDZYHX-UHFFFAOYSA-N -1 1 395.426 1.202 20 0 GDADMM C[C@H](C(=O)NC1(C)CCN(c2nccnc2-c2nnn[n-]2)CC1)C(C)(F)F ZINC001573656176 947986539 /nfs/dbraw/zinc/98/65/39/947986539.db2.gz CVNRKQJYHIVTNL-SNVBAGLBSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H](C(=O)NC1(C)CCN(c2nccnc2-c2nn[n-]n2)CC1)C(C)(F)F ZINC001573656176 947986544 /nfs/dbraw/zinc/98/65/44/947986544.db2.gz CVNRKQJYHIVTNL-SNVBAGLBSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](C(=O)N[C@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccsc1 ZINC001573657675 948003563 /nfs/dbraw/zinc/00/35/63/948003563.db2.gz OLSYGIBASRQRTD-PIGZYNQJSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)N[C@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccsc1 ZINC001573657675 948003571 /nfs/dbraw/zinc/00/35/71/948003571.db2.gz OLSYGIBASRQRTD-PIGZYNQJSA-N -1 1 384.469 1.607 20 0 GDADMM Cc1onc(CC(=O)N2CCN(c3nc4ccccc4o3)CC2)c1-c1nnn[n-]1 ZINC000826344503 948008999 /nfs/dbraw/zinc/00/89/99/948008999.db2.gz JYSQJHNDKYRLFX-UHFFFAOYSA-N -1 1 394.395 1.196 20 0 GDADMM Cc1onc(CC(=O)N2CCN(c3nc4ccccc4o3)CC2)c1-c1nn[n-]n1 ZINC000826344503 948009000 /nfs/dbraw/zinc/00/90/00/948009000.db2.gz JYSQJHNDKYRLFX-UHFFFAOYSA-N -1 1 394.395 1.196 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@@H]2Cn2cnc3ccccc32)c1-c1nnn[n-]1 ZINC000826344580 948009011 /nfs/dbraw/zinc/00/90/11/948009011.db2.gz LPHLEPLBYJONCU-CYBMUJFWSA-N -1 1 392.423 1.747 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@@H]2Cn2cnc3ccccc32)c1-c1nn[n-]n1 ZINC000826344580 948009015 /nfs/dbraw/zinc/00/90/15/948009015.db2.gz LPHLEPLBYJONCU-CYBMUJFWSA-N -1 1 392.423 1.747 20 0 GDADMM Cc1onc(CC(=O)N2CCO[C@H](c3ccccc3Cl)C2)c1-c1nnn[n-]1 ZINC000826344539 948009234 /nfs/dbraw/zinc/00/92/34/948009234.db2.gz KOKBKUTTZXXELB-AWEZNQCLSA-N -1 1 388.815 1.959 20 0 GDADMM Cc1onc(CC(=O)N2CCO[C@H](c3ccccc3Cl)C2)c1-c1nn[n-]n1 ZINC000826344539 948009241 /nfs/dbraw/zinc/00/92/41/948009241.db2.gz KOKBKUTTZXXELB-AWEZNQCLSA-N -1 1 388.815 1.959 20 0 GDADMM C[C@H](C(=O)N[C@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2)C(C)(F)F ZINC001573662302 948025717 /nfs/dbraw/zinc/02/57/17/948025717.db2.gz BGTUYNCPZZGRGT-HSOHIQCKSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H](C(=O)N[C@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2)C(C)(F)F ZINC001573662302 948025725 /nfs/dbraw/zinc/02/57/25/948025725.db2.gz BGTUYNCPZZGRGT-HSOHIQCKSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H](C(=O)NC1CC(CNc2cncc(-c3nnn[n-]3)n2)C1)c1ccsc1 ZINC001573662765 948027382 /nfs/dbraw/zinc/02/73/82/948027382.db2.gz FOXMKQSEQULAMY-ZBOXLXRLSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NC1CC(CNc2cncc(-c3nn[n-]n3)n2)C1)c1ccsc1 ZINC001573662765 948027391 /nfs/dbraw/zinc/02/73/91/948027391.db2.gz FOXMKQSEQULAMY-ZBOXLXRLSA-N -1 1 384.469 1.829 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](C)c2ccc(-n3cccn3)cc2)c1-c1nnn[n-]1 ZINC000826345823 948030607 /nfs/dbraw/zinc/03/06/07/948030607.db2.gz VFGFHNJKTLNWIN-NSHDSACASA-N -1 1 378.396 1.769 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](C)c2ccc(-n3cccn3)cc2)c1-c1nn[n-]n1 ZINC000826345823 948030615 /nfs/dbraw/zinc/03/06/15/948030615.db2.gz VFGFHNJKTLNWIN-NSHDSACASA-N -1 1 378.396 1.769 20 0 GDADMM Cc1onc(CC(=O)NCC(=O)OCc2ccccc2Cl)c1-c1nnn[n-]1 ZINC000826346694 948044053 /nfs/dbraw/zinc/04/40/53/948044053.db2.gz TYUWEAOAAKFXCA-UHFFFAOYSA-N -1 1 390.787 1.219 20 0 GDADMM Cc1onc(CC(=O)NCC(=O)OCc2ccccc2Cl)c1-c1nn[n-]n1 ZINC000826346694 948044062 /nfs/dbraw/zinc/04/40/62/948044062.db2.gz TYUWEAOAAKFXCA-UHFFFAOYSA-N -1 1 390.787 1.219 20 0 GDADMM Cc1onc(CC(=O)NCc2ccc(OCC(F)(F)F)cc2)c1-c1nnn[n-]1 ZINC000826347791 948060988 /nfs/dbraw/zinc/06/09/88/948060988.db2.gz GJBTYILWFDRVDY-UHFFFAOYSA-N -1 1 396.329 1.963 20 0 GDADMM Cc1onc(CC(=O)NCc2ccc(OCC(F)(F)F)cc2)c1-c1nn[n-]n1 ZINC000826347791 948060998 /nfs/dbraw/zinc/06/09/98/948060998.db2.gz GJBTYILWFDRVDY-UHFFFAOYSA-N -1 1 396.329 1.963 20 0 GDADMM Cc1onc(CC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)c1-c1nnn[n-]1 ZINC000826347770 948061338 /nfs/dbraw/zinc/06/13/38/948061338.db2.gz FJXYRSGSGMTCAD-UHFFFAOYSA-N -1 1 395.423 1.258 20 0 GDADMM Cc1onc(CC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)c1-c1nn[n-]n1 ZINC000826347770 948061342 /nfs/dbraw/zinc/06/13/42/948061342.db2.gz FJXYRSGSGMTCAD-UHFFFAOYSA-N -1 1 395.423 1.258 20 0 GDADMM C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1)C(C)(F)F ZINC001573665231 948070848 /nfs/dbraw/zinc/07/08/48/948070848.db2.gz JDMFPEVQFKEVEH-YEJSDXFRSA-N -1 1 392.414 1.564 20 0 GDADMM C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1)C(C)(F)F ZINC001573665231 948070857 /nfs/dbraw/zinc/07/08/57/948070857.db2.gz JDMFPEVQFKEVEH-YEJSDXFRSA-N -1 1 392.414 1.564 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccsc1 ZINC001573665763 948077903 /nfs/dbraw/zinc/07/79/03/948077903.db2.gz MVEWYFWFRIYVNY-DGCLKSJQSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccsc1 ZINC001573665763 948077913 /nfs/dbraw/zinc/07/79/13/948077913.db2.gz MVEWYFWFRIYVNY-DGCLKSJQSA-N -1 1 384.469 1.607 20 0 GDADMM CC(=O)N(Cc1ccccc1)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573413656 948084027 /nfs/dbraw/zinc/08/40/27/948084027.db2.gz CSDAPMZBGLAGHM-INIZCTEOSA-N -1 1 378.440 1.674 20 0 GDADMM CC(=O)N(Cc1ccccc1)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573413656 948084038 /nfs/dbraw/zinc/08/40/38/948084038.db2.gz CSDAPMZBGLAGHM-INIZCTEOSA-N -1 1 378.440 1.674 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)n1cccc1 ZINC001573667070 948094229 /nfs/dbraw/zinc/09/42/29/948094229.db2.gz XLUARLHMNVEQNE-UONOGXRCSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)n1cccc1 ZINC001573667070 948094236 /nfs/dbraw/zinc/09/42/36/948094236.db2.gz XLUARLHMNVEQNE-UONOGXRCSA-N -1 1 381.444 1.195 20 0 GDADMM CC(=O)N(Cc1ccccc1)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573414615 948095075 /nfs/dbraw/zinc/09/50/75/948095075.db2.gz LAUYCVKEDVWXNU-MRXNPFEDSA-N -1 1 378.440 1.674 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C)C(C)(F)F ZINC001573677296 948134474 /nfs/dbraw/zinc/13/44/74/948134474.db2.gz BWJFQKAFEZHZRZ-MWLCHTKSSA-N -1 1 380.403 1.279 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C)C(C)(F)F ZINC001573677296 948134476 /nfs/dbraw/zinc/13/44/76/948134476.db2.gz BWJFQKAFEZHZRZ-MWLCHTKSSA-N -1 1 380.403 1.279 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1F ZINC001573677260 948134891 /nfs/dbraw/zinc/13/48/91/948134891.db2.gz XBUXJYPUGYALDS-RYUDHWBXSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1F ZINC001573677260 948134895 /nfs/dbraw/zinc/13/48/95/948134895.db2.gz XBUXJYPUGYALDS-RYUDHWBXSA-N -1 1 382.403 1.294 20 0 GDADMM CC(C)[C@H](CNC(=O)[C@H](C)c1ccsc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573680659 948183899 /nfs/dbraw/zinc/18/38/99/948183899.db2.gz PCUZUIIZYPRDOO-YPMHNXCESA-N -1 1 386.485 1.497 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCC1)c1ccsc1 ZINC001573691698 948246424 /nfs/dbraw/zinc/24/64/24/948246424.db2.gz IEQMVWDPBJTOSL-NSHDSACASA-N -1 1 384.469 1.395 20 0 GDADMM C[C@H](C(=O)NC[C@H](O)CNc1nc(Cl)c(-c2nnn[n-]2)s1)C(C)(C)C ZINC001573692200 948257727 /nfs/dbraw/zinc/25/77/27/948257727.db2.gz NBBIORCRKFTMFM-SFYZADRCSA-N -1 1 387.897 1.548 20 0 GDADMM C[C@H](C(=O)NC[C@H](O)CNc1nc(Cl)c(-c2nn[n-]n2)s1)C(C)(C)C ZINC001573692200 948257733 /nfs/dbraw/zinc/25/77/33/948257733.db2.gz NBBIORCRKFTMFM-SFYZADRCSA-N -1 1 387.897 1.548 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CC1)c1ccccc1F ZINC001573693725 948284314 /nfs/dbraw/zinc/28/43/14/948284314.db2.gz YOKJKFIPRWKXGN-NSHDSACASA-N -1 1 382.403 1.660 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CC1)c1ccccc1F ZINC001573693725 948284322 /nfs/dbraw/zinc/28/43/22/948284322.db2.gz YOKJKFIPRWKXGN-NSHDSACASA-N -1 1 382.403 1.660 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001573704001 948361061 /nfs/dbraw/zinc/36/10/61/948361061.db2.gz NWUASGIGELRHKL-UWVGGRQHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573704001 948361068 /nfs/dbraw/zinc/36/10/68/948361068.db2.gz NWUASGIGELRHKL-UWVGGRQHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)c1ccsc1 ZINC001573703895 948361846 /nfs/dbraw/zinc/36/18/46/948361846.db2.gz NOKLVPPVJBCSOC-WCQYABFASA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)c1ccsc1 ZINC001573703895 948361855 /nfs/dbraw/zinc/36/18/55/948361855.db2.gz NOKLVPPVJBCSOC-WCQYABFASA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCC1(F)F)C1CC1 ZINC001573705447 948400196 /nfs/dbraw/zinc/40/01/96/948400196.db2.gz FQVGPUDHDCDBIP-JQWIXIFHSA-N -1 1 392.414 1.281 20 0 GDADMM C[C@@H](C(=O)NCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C1CCCC1 ZINC001573705585 948404260 /nfs/dbraw/zinc/40/42/60/948404260.db2.gz INMDSWVMTDHYOP-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C1CCCC1 ZINC001573705585 948404265 /nfs/dbraw/zinc/40/42/65/948404265.db2.gz INMDSWVMTDHYOP-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001573705727 948408458 /nfs/dbraw/zinc/40/84/58/948408458.db2.gz XYIKDJBZSLCWBK-UWVGGRQHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001573705727 948408462 /nfs/dbraw/zinc/40/84/62/948408462.db2.gz XYIKDJBZSLCWBK-UWVGGRQHSA-N -1 1 384.366 1.330 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CC[C@H](Cc2ccncc2)C1 ZINC000826495367 948409831 /nfs/dbraw/zinc/40/98/31/948409831.db2.gz NDRKGCAGRDMLRM-CYBMUJFWSA-N -1 1 388.428 1.654 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCC1(F)F)C1CC1 ZINC001573707176 948429731 /nfs/dbraw/zinc/42/97/31/948429731.db2.gz MUYDFROKSJXYPB-ZYHUDNBSSA-N -1 1 392.414 1.281 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCC1(F)F)C1CC1 ZINC001573707176 948429739 /nfs/dbraw/zinc/42/97/39/948429739.db2.gz MUYDFROKSJXYPB-ZYHUDNBSSA-N -1 1 392.414 1.281 20 0 GDADMM C[C@@H](C(=O)NCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C(F)(F)F ZINC001573709012 948464112 /nfs/dbraw/zinc/46/41/12/948464112.db2.gz ZCFHVCAWLNEMDE-VIFPVBQESA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@H](C(=O)NCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C(F)(F)F ZINC001573709012 948464117 /nfs/dbraw/zinc/46/41/17/948464117.db2.gz ZCFHVCAWLNEMDE-VIFPVBQESA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1)c1cccc(Cl)c1 ZINC001573715172 948484563 /nfs/dbraw/zinc/48/45/63/948484563.db2.gz QGIUCKJDYPUTPZ-LLVKDONJSA-N -1 1 386.847 1.666 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1)c1cccc(Cl)c1 ZINC001573715172 948484573 /nfs/dbraw/zinc/48/45/73/948484573.db2.gz QGIUCKJDYPUTPZ-LLVKDONJSA-N -1 1 386.847 1.666 20 0 GDADMM C[C@H](C(=O)NCC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001573715392 948490054 /nfs/dbraw/zinc/49/00/54/948490054.db2.gz VOFVSMKTBYACJZ-NXEZZACHSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@H](C(=O)NCC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001573715392 948490056 /nfs/dbraw/zinc/49/00/56/948490056.db2.gz VOFVSMKTBYACJZ-NXEZZACHSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1cncc(-c2nnn[n-]2)n1)c1ccc(F)cc1F ZINC001573716996 948504869 /nfs/dbraw/zinc/50/48/69/948504869.db2.gz AIPNVFXBCKLHKE-SNVBAGLBSA-N -1 1 388.382 1.291 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1cncc(-c2nn[n-]n2)n1)c1ccc(F)cc1F ZINC001573716996 948504874 /nfs/dbraw/zinc/50/48/74/948504874.db2.gz AIPNVFXBCKLHKE-SNVBAGLBSA-N -1 1 388.382 1.291 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1nc(-c2nn[n-]n2)c(Cl)s1)c1ccco1 ZINC001573719721 948529367 /nfs/dbraw/zinc/52/93/67/948529367.db2.gz OHHYVBOTHWBAKM-MRVPVSSYSA-N -1 1 381.849 1.926 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001573726717 948549076 /nfs/dbraw/zinc/54/90/76/948549076.db2.gz JPBDNGQEQLQPIN-RJZRQDKASA-N -1 1 382.472 1.566 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001573726717 948549082 /nfs/dbraw/zinc/54/90/82/948549082.db2.gz JPBDNGQEQLQPIN-RJZRQDKASA-N -1 1 382.472 1.566 20 0 GDADMM C[C@H]([C@H](C)C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C(C)(C)C ZINC001573727542 948556230 /nfs/dbraw/zinc/55/62/30/948556230.db2.gz ADHROTUDKBCXLT-CRWXNKLISA-N -1 1 386.504 1.704 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C)C(C)(F)F ZINC001573727959 948557636 /nfs/dbraw/zinc/55/76/36/948557636.db2.gz NRZSPMFLIYHSAA-OUAUKWLOSA-N -1 1 380.403 1.137 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C)C(C)(F)F ZINC001573727959 948557641 /nfs/dbraw/zinc/55/76/41/948557641.db2.gz NRZSPMFLIYHSAA-OUAUKWLOSA-N -1 1 380.403 1.137 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC001573731894 948597945 /nfs/dbraw/zinc/59/79/45/948597945.db2.gz JUTKSDCHRKXYRB-QWRGUYRKSA-N -1 1 386.847 1.452 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nnn[n-]1)C(F)(F)F ZINC001573736303 948614386 /nfs/dbraw/zinc/61/43/86/948614386.db2.gz PSJMCWITBKMGLG-IVZWLZJFSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nn[n-]n1)C(F)(F)F ZINC001573736303 948614392 /nfs/dbraw/zinc/61/43/92/948614392.db2.gz PSJMCWITBKMGLG-IVZWLZJFSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001573741085 948649261 /nfs/dbraw/zinc/64/92/61/948649261.db2.gz XKKUVARKITWFTL-NGFQHRJXSA-N -1 1 391.439 1.081 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C)c1ccsc1 ZINC001573741601 948656987 /nfs/dbraw/zinc/65/69/87/948656987.db2.gz ZRFJPWBFPFTDQT-UHIISALHSA-N -1 1 384.469 1.463 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C)c1ccsc1 ZINC001573741601 948656990 /nfs/dbraw/zinc/65/69/90/948656990.db2.gz ZRFJPWBFPFTDQT-UHIISALHSA-N -1 1 384.469 1.463 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H](C)c1ccc(F)cc1F ZINC001573742378 948660902 /nfs/dbraw/zinc/66/09/02/948660902.db2.gz LPDHJNYXBXXEIX-ZJUUUORDSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H](C)c1ccc(F)cc1F ZINC001573742378 948660904 /nfs/dbraw/zinc/66/09/04/948660904.db2.gz LPDHJNYXBXXEIX-ZJUUUORDSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2nccnc2-c2nnn[n-]2)CC1)C(C)(F)F ZINC001573745056 948667379 /nfs/dbraw/zinc/66/73/79/948667379.db2.gz AJAUVMAWGZFJGT-DCAQKATOSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2nccnc2-c2nn[n-]n2)CC1)C(C)(F)F ZINC001573745056 948667385 /nfs/dbraw/zinc/66/73/85/948667385.db2.gz AJAUVMAWGZFJGT-DCAQKATOSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)c1cccnc1 ZINC001573745062 948667643 /nfs/dbraw/zinc/66/76/43/948667643.db2.gz AGYIEETWNFPBHZ-OBJOEFQTSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)c1cccnc1 ZINC001573745062 948667647 /nfs/dbraw/zinc/66/76/47/948667647.db2.gz AGYIEETWNFPBHZ-OBJOEFQTSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CC1)n1cccc1 ZINC001573746869 948685815 /nfs/dbraw/zinc/68/58/15/948685815.db2.gz QARKYHQBGYHLGA-MGPQQGTHSA-N -1 1 381.444 1.559 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CC1)n1cccc1 ZINC001573746869 948685823 /nfs/dbraw/zinc/68/58/23/948685823.db2.gz QARKYHQBGYHLGA-MGPQQGTHSA-N -1 1 381.444 1.559 20 0 GDADMM C[C@H](C(=O)O[C@@H](C)c1cccc(OC(F)F)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001573754375 948740926 /nfs/dbraw/zinc/74/09/26/948740926.db2.gz FRVMOMKFMNIQRD-BDAKNGLRSA-N -1 1 379.327 1.925 20 0 GDADMM CC(C)[C@H](F)C(=O)NC[C@@H]1CCCCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001574075020 948742175 /nfs/dbraw/zinc/74/21/75/948742175.db2.gz ZLNDTTHWCADIIV-WFASDCNBSA-N -1 1 376.440 1.516 20 0 GDADMM CC(C)[C@H](F)C(=O)NC[C@@H]1CCCCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001574075020 948742184 /nfs/dbraw/zinc/74/21/84/948742184.db2.gz ZLNDTTHWCADIIV-WFASDCNBSA-N -1 1 376.440 1.516 20 0 GDADMM CC(C)c1ccc(C(=O)N2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC001574416529 948748724 /nfs/dbraw/zinc/74/87/24/948748724.db2.gz XAIHKBKOLUBHPM-UHFFFAOYSA-N -1 1 378.440 1.743 20 0 GDADMM CC(C)c1ccc(C(=O)N2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)cc1 ZINC001574416529 948748730 /nfs/dbraw/zinc/74/87/30/948748730.db2.gz XAIHKBKOLUBHPM-UHFFFAOYSA-N -1 1 378.440 1.743 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@H](C)[C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)cn1 ZINC001574416500 948749153 /nfs/dbraw/zinc/74/91/53/948749153.db2.gz VPKYTGIAZSTZFN-VXGBXAGGSA-N -1 1 381.444 1.794 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@H](C)[C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)cn1 ZINC001574416500 948749164 /nfs/dbraw/zinc/74/91/64/948749164.db2.gz VPKYTGIAZSTZFN-VXGBXAGGSA-N -1 1 381.444 1.794 20 0 GDADMM CC(C)c1ccc(C(=O)N(C)CCN(C)c2cncc(-c3nnn[n-]3)n2)cc1 ZINC001574416503 948749311 /nfs/dbraw/zinc/74/93/11/948749311.db2.gz VRXANEWSNHJZPX-UHFFFAOYSA-N -1 1 380.456 1.989 20 0 GDADMM CC(C)c1ccc(C(=O)N(C)CCN(C)c2cncc(-c3nn[n-]n3)n2)cc1 ZINC001574416503 948749320 /nfs/dbraw/zinc/74/93/20/948749320.db2.gz VRXANEWSNHJZPX-UHFFFAOYSA-N -1 1 380.456 1.989 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@@H](C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001574678428 948749641 /nfs/dbraw/zinc/74/96/41/948749641.db2.gz FRJOIJOHWXBZNF-JTQLQIEISA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@@H](C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001574678428 948749649 /nfs/dbraw/zinc/74/96/49/948749649.db2.gz FRJOIJOHWXBZNF-JTQLQIEISA-N -1 1 387.473 1.857 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001575221802 948752393 /nfs/dbraw/zinc/75/23/93/948752393.db2.gz CWWNMYGTCZKEMI-LLVKDONJSA-N -1 1 392.414 1.885 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001575221802 948752400 /nfs/dbraw/zinc/75/24/00/948752400.db2.gz CWWNMYGTCZKEMI-LLVKDONJSA-N -1 1 392.414 1.885 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@H](C)[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)nc1 ZINC001574416557 948752949 /nfs/dbraw/zinc/75/29/49/948752949.db2.gz XTRJNEDWNDSXTG-VXGBXAGGSA-N -1 1 381.444 1.794 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@H](C)[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)nc1 ZINC001574416557 948752962 /nfs/dbraw/zinc/75/29/62/948752962.db2.gz XTRJNEDWNDSXTG-VXGBXAGGSA-N -1 1 381.444 1.794 20 0 GDADMM CC(C)c1ccc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c(=O)[nH]1 ZINC001574416580 948753244 /nfs/dbraw/zinc/75/32/44/948753244.db2.gz YPJSBUSJIKDHBE-UHFFFAOYSA-N -1 1 385.432 1.101 20 0 GDADMM CC(C)c1ccc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c(=O)[nH]1 ZINC001574416580 948753255 /nfs/dbraw/zinc/75/32/55/948753255.db2.gz YPJSBUSJIKDHBE-UHFFFAOYSA-N -1 1 385.432 1.101 20 0 GDADMM CC(C)c1ccc(C(=O)N(C)CCN(C)c2ccnc(-c3nn[n-]n3)n2)cn1 ZINC001574416567 948753851 /nfs/dbraw/zinc/75/38/51/948753851.db2.gz YGBQUNOMILTCEN-UHFFFAOYSA-N -1 1 381.444 1.384 20 0 GDADMM C[C@H](CNC(=O)CCc1ccc(Cl)s1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574914866 948758784 /nfs/dbraw/zinc/75/87/84/948758784.db2.gz OGALWJWFNDOYQP-SECBINFHSA-N -1 1 392.876 1.921 20 0 GDADMM C[C@H](CNC(=O)CCc1ccc(Cl)s1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574914866 948758793 /nfs/dbraw/zinc/75/87/93/948758793.db2.gz OGALWJWFNDOYQP-SECBINFHSA-N -1 1 392.876 1.921 20 0 GDADMM CC(C)c1cccc(C(=O)N(C)[C@H](C)CNc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001574416778 948759683 /nfs/dbraw/zinc/75/96/83/948759683.db2.gz HMLVIXTUTIOBEJ-GFCCVEGCSA-N -1 1 381.444 1.748 20 0 GDADMM CC(C)c1cccc(C(=O)N(C)[C@H](C)CNc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001574416778 948759699 /nfs/dbraw/zinc/75/96/99/948759699.db2.gz HMLVIXTUTIOBEJ-GFCCVEGCSA-N -1 1 381.444 1.748 20 0 GDADMM CC(C)c1cccc(C(=O)N(C)CCN(C)c2ccc(-c3nnn[n-]3)nn2)c1 ZINC001574416712 948760225 /nfs/dbraw/zinc/76/02/25/948760225.db2.gz FACBRZIJDRPSPR-UHFFFAOYSA-N -1 1 380.456 1.989 20 0 GDADMM CC(C)c1cccc(C(=O)N(C)CCN(C)c2ccc(-c3nn[n-]n3)nn2)c1 ZINC001574416712 948760233 /nfs/dbraw/zinc/76/02/33/948760233.db2.gz FACBRZIJDRPSPR-UHFFFAOYSA-N -1 1 380.456 1.989 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@H](C)[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)n1 ZINC001574417046 948763789 /nfs/dbraw/zinc/76/37/89/948763789.db2.gz KBYCIVLOBVFCLY-VXGBXAGGSA-N -1 1 381.444 1.794 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@H](C)[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)n1 ZINC001574417046 948763799 /nfs/dbraw/zinc/76/37/99/948763799.db2.gz KBYCIVLOBVFCLY-VXGBXAGGSA-N -1 1 381.444 1.794 20 0 GDADMM C[C@H](CNC(=O)CCc1ccc(F)cc1F)Nc1nccnc1-c1nnn[n-]1 ZINC001574915464 948768824 /nfs/dbraw/zinc/76/88/24/948768824.db2.gz UVRQHLIJPCQLKH-SNVBAGLBSA-N -1 1 388.382 1.484 20 0 GDADMM C[C@H](CNC(=O)CCc1ccc(F)cc1F)Nc1nccnc1-c1nn[n-]n1 ZINC001574915464 948768831 /nfs/dbraw/zinc/76/88/31/948768831.db2.gz UVRQHLIJPCQLKH-SNVBAGLBSA-N -1 1 388.382 1.484 20 0 GDADMM CC(C)[C@@H](NC(=O)NCc1nc(-c2nnn[n-]2)cs1)c1nc(C2CC2)no1 ZINC001574079535 948770459 /nfs/dbraw/zinc/77/04/59/948770459.db2.gz JVMIHVGAJPUEMB-LLVKDONJSA-N -1 1 389.445 1.780 20 0 GDADMM CC(C)[C@@H](NC(=O)NCc1nc(-c2nn[n-]n2)cs1)c1nc(C2CC2)no1 ZINC001574079535 948770470 /nfs/dbraw/zinc/77/04/70/948770470.db2.gz JVMIHVGAJPUEMB-LLVKDONJSA-N -1 1 389.445 1.780 20 0 GDADMM C[C@@H](CNC(=O)CCc1cc(Cl)cs1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574915959 948774368 /nfs/dbraw/zinc/77/43/68/948774368.db2.gz ZPIUQJZGOLINAC-VIFPVBQESA-N -1 1 392.876 1.921 20 0 GDADMM C[C@@H](CNC(=O)CCc1cc(Cl)cs1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574915959 948774376 /nfs/dbraw/zinc/77/43/76/948774376.db2.gz ZPIUQJZGOLINAC-VIFPVBQESA-N -1 1 392.876 1.921 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1nncc2ccccc21 ZINC001574679260 948774605 /nfs/dbraw/zinc/77/46/05/948774605.db2.gz RHTRRGKSKKZXPS-LLVKDONJSA-N -1 1 390.411 1.220 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1nncc2ccccc21 ZINC001574679260 948774614 /nfs/dbraw/zinc/77/46/14/948774614.db2.gz RHTRRGKSKKZXPS-LLVKDONJSA-N -1 1 390.411 1.220 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001574418197 948777037 /nfs/dbraw/zinc/77/70/37/948777037.db2.gz VETYXHQOAJMPTL-LBPRGKRZSA-N -1 1 379.428 1.184 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@@H](C)[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001574418554 948779446 /nfs/dbraw/zinc/77/94/46/948779446.db2.gz YGDSJKWRRRCYQM-RYUDHWBXSA-N -1 1 381.444 1.794 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@@H](C)[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001574418554 948779457 /nfs/dbraw/zinc/77/94/57/948779457.db2.gz YGDSJKWRRRCYQM-RYUDHWBXSA-N -1 1 381.444 1.794 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1coc(C(C)(C)C)n1 ZINC001574679463 948781304 /nfs/dbraw/zinc/78/13/04/948781304.db2.gz VSSNJSOXKMHMFG-SNVBAGLBSA-N -1 1 385.432 1.563 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1coc(C(C)(C)C)n1 ZINC001574679463 948781312 /nfs/dbraw/zinc/78/13/12/948781312.db2.gz VSSNJSOXKMHMFG-SNVBAGLBSA-N -1 1 385.432 1.563 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CC[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001575224460 948783363 /nfs/dbraw/zinc/78/33/63/948783363.db2.gz WKOPQYRPMWGZLE-GHMZBOCLSA-N -1 1 392.414 1.789 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CC[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001575224460 948783368 /nfs/dbraw/zinc/78/33/68/948783368.db2.gz WKOPQYRPMWGZLE-GHMZBOCLSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@@H](C(=O)N[C@]12CCC[C@H]1CN(c1nccnc1-c1nnn[n-]1)C2)C(F)(F)F ZINC001573755831 948785182 /nfs/dbraw/zinc/78/51/82/948785182.db2.gz JGXLBISUDYHUDR-YHAQOWFVSA-N -1 1 396.377 1.330 20 0 GDADMM C[C@@H](C(=O)N[C@]12CCC[C@H]1CN(c1nccnc1-c1nn[n-]n1)C2)C(F)(F)F ZINC001573755831 948785193 /nfs/dbraw/zinc/78/51/93/948785193.db2.gz JGXLBISUDYHUDR-YHAQOWFVSA-N -1 1 396.377 1.330 20 0 GDADMM CC(F)(F)CC(=O)N[C@@]12CCC[C@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001575224608 948788670 /nfs/dbraw/zinc/78/86/70/948788670.db2.gz PHPSZCATQYMTOZ-BDJLRTHQSA-N -1 1 378.387 1.320 20 0 GDADMM CC(F)(F)CC(=O)N[C@@]12CCC[C@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001575224608 948788675 /nfs/dbraw/zinc/78/86/75/948788675.db2.gz PHPSZCATQYMTOZ-BDJLRTHQSA-N -1 1 378.387 1.320 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cccc(N(C)C)c1 ZINC001574679893 948792407 /nfs/dbraw/zinc/79/24/07/948792407.db2.gz ATHKTNMLOZKNIX-LBPRGKRZSA-N -1 1 381.444 1.343 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cccc(N(C)C)c1 ZINC001574679893 948792411 /nfs/dbraw/zinc/79/24/11/948792411.db2.gz ATHKTNMLOZKNIX-LBPRGKRZSA-N -1 1 381.444 1.343 20 0 GDADMM CC(F)(F)CC(=O)N1C[C@@H]2C[C@H]1CN2c1snc(Cl)c1-c1nnn[n-]1 ZINC001575225137 948797354 /nfs/dbraw/zinc/79/73/54/948797354.db2.gz XBPHPFNFTFMXQJ-BQBZGAKWSA-N -1 1 389.819 1.811 20 0 GDADMM CC(F)(F)CC(=O)N1C[C@@H]2C[C@H]1CN2c1snc(Cl)c1-c1nn[n-]n1 ZINC001575225137 948797359 /nfs/dbraw/zinc/79/73/59/948797359.db2.gz XBPHPFNFTFMXQJ-BQBZGAKWSA-N -1 1 389.819 1.811 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCCc1ccccn1 ZINC001574680381 948802976 /nfs/dbraw/zinc/80/29/76/948802976.db2.gz GRIGDTATRIFALD-CYBMUJFWSA-N -1 1 381.444 1.381 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCCc1ccccn1 ZINC001574680381 948802994 /nfs/dbraw/zinc/80/29/94/948802994.db2.gz GRIGDTATRIFALD-CYBMUJFWSA-N -1 1 381.444 1.381 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)CC2)CC1 ZINC001575225983 948812790 /nfs/dbraw/zinc/81/27/90/948812790.db2.gz HTMFZQHMRXRUDX-XYPYZODXSA-N -1 1 392.414 1.353 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccsc1Cl ZINC001574680956 948814946 /nfs/dbraw/zinc/81/49/46/948814946.db2.gz KRLIIVFTARFCNK-MRVPVSSYSA-N -1 1 378.849 1.992 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccsc1Cl ZINC001574680956 948814952 /nfs/dbraw/zinc/81/49/52/948814952.db2.gz KRLIIVFTARFCNK-MRVPVSSYSA-N -1 1 378.849 1.992 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[C@@H](C)c1ccncc1 ZINC001574681364 948820334 /nfs/dbraw/zinc/82/03/34/948820334.db2.gz MCFIBRLBICWHCE-CHWSQXEVSA-N -1 1 381.444 1.552 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[C@@H](C)c1ccncc1 ZINC001574681364 948820348 /nfs/dbraw/zinc/82/03/48/948820348.db2.gz MCFIBRLBICWHCE-CHWSQXEVSA-N -1 1 381.444 1.552 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccc2cc[nH]c2n1 ZINC001574681757 948821427 /nfs/dbraw/zinc/82/14/27/948821427.db2.gz NSCWYOKEETYHOG-SNVBAGLBSA-N -1 1 378.400 1.154 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccc2cc[nH]c2n1 ZINC001574681757 948821444 /nfs/dbraw/zinc/82/14/44/948821444.db2.gz NSCWYOKEETYHOG-SNVBAGLBSA-N -1 1 378.400 1.154 20 0 GDADMM CC(C)[C@H](F)C(=O)NCC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001574081392 948828386 /nfs/dbraw/zinc/82/83/86/948828386.db2.gz SMRBPGSMNGFCSP-JMSVASOKSA-N -1 1 376.440 1.229 20 0 GDADMM CC(C)[C@H](F)C(=O)NCC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001574081392 948828400 /nfs/dbraw/zinc/82/84/00/948828400.db2.gz SMRBPGSMNGFCSP-JMSVASOKSA-N -1 1 376.440 1.229 20 0 GDADMM CC(C)c1nc(C(=O)NC[C@H](C)N(C)c2nccnc2-c2nnn[n-]2)cs1 ZINC001574424005 948836281 /nfs/dbraw/zinc/83/62/81/948836281.db2.gz ATQKYLGHHQSXIB-JTQLQIEISA-N -1 1 387.473 1.491 20 0 GDADMM CC(C)c1nc(C(=O)NC[C@H](C)N(C)c2nccnc2-c2nn[n-]n2)cs1 ZINC001574424005 948836298 /nfs/dbraw/zinc/83/62/98/948836298.db2.gz ATQKYLGHHQSXIB-JTQLQIEISA-N -1 1 387.473 1.491 20 0 GDADMM CC(C)[C@H](F)C(=O)NC[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574081708 948838007 /nfs/dbraw/zinc/83/80/07/948838007.db2.gz VVFFCCAWJMNKEA-XEZPLFJOSA-N -1 1 390.467 1.985 20 0 GDADMM CC(C)[C@H](F)C(=O)NC[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574081708 948838024 /nfs/dbraw/zinc/83/80/24/948838024.db2.gz VVFFCCAWJMNKEA-XEZPLFJOSA-N -1 1 390.467 1.985 20 0 GDADMM CC(F)(F)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001575229126 948838307 /nfs/dbraw/zinc/83/83/07/948838307.db2.gz CFIIMVYDQHCZDT-ZSBIGDGJSA-N -1 1 392.414 1.566 20 0 GDADMM CC(F)(F)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001575229126 948838321 /nfs/dbraw/zinc/83/83/21/948838321.db2.gz CFIIMVYDQHCZDT-ZSBIGDGJSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H](CNC(=O)CCCc1ccccn1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574918214 948841495 /nfs/dbraw/zinc/84/14/95/948841495.db2.gz HJKYBGMRWUMRPM-CYBMUJFWSA-N -1 1 381.444 1.016 20 0 GDADMM C[C@H](CNC(=O)CCCc1ccccn1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574918214 948841511 /nfs/dbraw/zinc/84/15/11/948841511.db2.gz HJKYBGMRWUMRPM-CYBMUJFWSA-N -1 1 381.444 1.016 20 0 GDADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)c1ccn(C)n1 ZINC001574684080 948856010 /nfs/dbraw/zinc/85/60/10/948856010.db2.gz BFTNALIOLCHJES-SSDOTTSWSA-N -1 1 381.853 1.331 20 0 GDADMM CC(C)c1nc(C(=O)NC[C@@H](C)N(C)c2ccc(-c3nnn[n-]3)nn2)cs1 ZINC001574424991 948865919 /nfs/dbraw/zinc/86/59/19/948865919.db2.gz ZZAUHHYDYDNOMF-SNVBAGLBSA-N -1 1 387.473 1.491 20 0 GDADMM CC(C)c1nc(C(=O)NC[C@@H](C)N(C)c2ccc(-c3nn[n-]n3)nn2)cs1 ZINC001574424991 948865934 /nfs/dbraw/zinc/86/59/34/948865934.db2.gz ZZAUHHYDYDNOMF-SNVBAGLBSA-N -1 1 387.473 1.491 20 0 GDADMM CC(F)(F)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001575234077 948896271 /nfs/dbraw/zinc/89/62/71/948896271.db2.gz NRJDVMYUYBZBGS-DCAQKATOSA-N -1 1 378.387 1.176 20 0 GDADMM CC(F)(F)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001575234077 948896282 /nfs/dbraw/zinc/89/62/82/948896282.db2.gz NRJDVMYUYBZBGS-DCAQKATOSA-N -1 1 378.387 1.176 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ccccc1 ZINC001573765359 948906913 /nfs/dbraw/zinc/90/69/13/948906913.db2.gz ZSDZVPPYHLRTLB-AWEZNQCLSA-N -1 1 378.440 1.647 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ccccc1 ZINC001573765359 948906935 /nfs/dbraw/zinc/90/69/35/948906935.db2.gz ZSDZVPPYHLRTLB-AWEZNQCLSA-N -1 1 378.440 1.647 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)C1=COCCO1 ZINC001574685403 948907900 /nfs/dbraw/zinc/90/79/00/948907900.db2.gz VFHAFZOKRJCABS-ZETCQYMHSA-N -1 1 385.837 1.172 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)C1=COCCO1 ZINC001574685403 948907915 /nfs/dbraw/zinc/90/79/15/948907915.db2.gz VFHAFZOKRJCABS-ZETCQYMHSA-N -1 1 385.837 1.172 20 0 GDADMM CC(C)(C(=O)N1CCO[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)C1CCC1 ZINC001573765546 948912996 /nfs/dbraw/zinc/91/29/96/948912996.db2.gz NAOFJHQCNZFMKD-CYBMUJFWSA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)(C(=O)N1CCO[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)C1CCC1 ZINC001573765546 948913005 /nfs/dbraw/zinc/91/30/05/948913005.db2.gz NAOFJHQCNZFMKD-CYBMUJFWSA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)(C(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001573765590 948915421 /nfs/dbraw/zinc/91/54/21/948915421.db2.gz POARHPYREVHYLF-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)(C(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001573765590 948915430 /nfs/dbraw/zinc/91/54/30/948915430.db2.gz POARHPYREVHYLF-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)c1ncc(C(=O)NC[C@H](C)N(C)c2cnc(-c3nnn[n-]3)cn2)s1 ZINC001574427884 948918312 /nfs/dbraw/zinc/91/83/12/948918312.db2.gz UNZQWZKLTCKQOU-JTQLQIEISA-N -1 1 387.473 1.491 20 0 GDADMM CC(C)c1ncc(C(=O)NC[C@H](C)N(C)c2cnc(-c3nn[n-]n3)cn2)s1 ZINC001574427884 948918326 /nfs/dbraw/zinc/91/83/26/948918326.db2.gz UNZQWZKLTCKQOU-JTQLQIEISA-N -1 1 387.473 1.491 20 0 GDADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)c1cnn(C)c1 ZINC001574685812 948922465 /nfs/dbraw/zinc/92/24/65/948922465.db2.gz ZXPSLKXFTMQDGA-SSDOTTSWSA-N -1 1 381.853 1.331 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1)C(F)F ZINC001573771091 948936562 /nfs/dbraw/zinc/93/65/62/948936562.db2.gz BNZZZENSKYBTGO-ZJUUUORDSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1)C(F)F ZINC001573771091 948936578 /nfs/dbraw/zinc/93/65/78/948936578.db2.gz BNZZZENSKYBTGO-ZJUUUORDSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1)C(F)F ZINC001573772223 948953184 /nfs/dbraw/zinc/95/31/84/948953184.db2.gz REUAHFYNEKOZMF-SNVBAGLBSA-N -1 1 380.403 1.423 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1)C(F)F ZINC001573772223 948953189 /nfs/dbraw/zinc/95/31/89/948953189.db2.gz REUAHFYNEKOZMF-SNVBAGLBSA-N -1 1 380.403 1.423 20 0 GDADMM CC(C)[C@]1(C)C[C@@H]1C(=O)NC1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574089373 948957603 /nfs/dbraw/zinc/95/76/03/948957603.db2.gz JPHFAIODFDLSAQ-YJYMSZOUSA-N -1 1 384.488 1.814 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001575239395 948961931 /nfs/dbraw/zinc/96/19/31/948961931.db2.gz RJXCBVIZNYLHPU-SRVKXCTJSA-N -1 1 392.414 1.566 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001575239395 948961942 /nfs/dbraw/zinc/96/19/42/948961942.db2.gz RJXCBVIZNYLHPU-SRVKXCTJSA-N -1 1 392.414 1.566 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C(F)F ZINC001573772601 948964428 /nfs/dbraw/zinc/96/44/28/948964428.db2.gz VWMSEZJQPWOEMT-NXEZZACHSA-N -1 1 380.403 1.209 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C12CCC2)C(F)F ZINC001573772878 948969267 /nfs/dbraw/zinc/96/92/67/948969267.db2.gz XOSOTCKLHABFFI-QWRGUYRKSA-N -1 1 392.414 1.787 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C12CCC2)C(F)F ZINC001573772878 948969280 /nfs/dbraw/zinc/96/92/80/948969280.db2.gz XOSOTCKLHABFFI-QWRGUYRKSA-N -1 1 392.414 1.787 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001575240122 948970949 /nfs/dbraw/zinc/97/09/49/948970949.db2.gz ZQJQWBMJWHNGSY-NSHDSACASA-N -1 1 392.414 1.567 20 0 GDADMM CC(C)[C@H]1C[C@@H](CC(=O)NCCN(C)c2cnc(-c3nnn[n-]3)cn2)CCO1 ZINC001574090040 948977561 /nfs/dbraw/zinc/97/75/61/948977561.db2.gz HMNVQMWELXVDNZ-DZGCQCFKSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)[C@H]1C[C@@H](CC(=O)NCCN(C)c2cnc(-c3nn[n-]n3)cn2)CCO1 ZINC001574090040 948977572 /nfs/dbraw/zinc/97/75/72/948977572.db2.gz HMNVQMWELXVDNZ-DZGCQCFKSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@@H](C)c1ccncc1 ZINC001574689345 948983807 /nfs/dbraw/zinc/98/38/07/948983807.db2.gz GKCKUKWSWIQUHN-CHWSQXEVSA-N -1 1 381.444 1.552 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@@H](C)c1ccncc1 ZINC001574689345 948983814 /nfs/dbraw/zinc/98/38/14/948983814.db2.gz GKCKUKWSWIQUHN-CHWSQXEVSA-N -1 1 381.444 1.552 20 0 GDADMM CC(C)c1nnsc1C(=O)N(C)[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574439526 949008402 /nfs/dbraw/zinc/00/84/02/949008402.db2.gz GOYQKSXNGZGLCX-SECBINFHSA-N -1 1 388.461 1.204 20 0 GDADMM CC(C)c1nnsc1C(=O)N(C)[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574439526 949008414 /nfs/dbraw/zinc/00/84/14/949008414.db2.gz GOYQKSXNGZGLCX-SECBINFHSA-N -1 1 388.461 1.204 20 0 GDADMM CC(C)[C@]1(C)C[C@@H]1C(=O)NCCC1(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574091664 949027645 /nfs/dbraw/zinc/02/76/45/949027645.db2.gz PZSJMHNKFODEOD-ACJLOTCBSA-N -1 1 384.488 1.459 20 0 GDADMM C[C@@H](CNC(=O)COC(C)(C)C)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001574928913 949066021 /nfs/dbraw/zinc/06/60/21/949066021.db2.gz SNFYBLJAKIFBLL-QMMMGPOBSA-N -1 1 387.897 1.956 20 0 GDADMM C[C@@H](CNC(=O)COC(C)(C)C)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001574928913 949065997 /nfs/dbraw/zinc/06/59/97/949065997.db2.gz SNFYBLJAKIFBLL-QMMMGPOBSA-N -1 1 387.897 1.956 20 0 GDADMM CC(C)(C(=O)NCC1CC(Nc2nccnc2-c2nnn[n-]2)C1)c1ccccc1 ZINC001573779646 949066286 /nfs/dbraw/zinc/06/62/86/949066286.db2.gz LEOQJVSAHYYUSX-UHFFFAOYSA-N -1 1 392.467 1.941 20 0 GDADMM CC(C)(C(=O)NCC1CC(Nc2nccnc2-c2nn[n-]n2)C1)c1ccccc1 ZINC001573779646 949066301 /nfs/dbraw/zinc/06/63/01/949066301.db2.gz LEOQJVSAHYYUSX-UHFFFAOYSA-N -1 1 392.467 1.941 20 0 GDADMM C[C@H](CN(C)C(=O)C(C)(C)c1ccccc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574694262 949068464 /nfs/dbraw/zinc/06/84/64/949068464.db2.gz MNQVEZMSPDSXRN-CYBMUJFWSA-N -1 1 380.456 1.893 20 0 GDADMM C[C@H](CN(C)C(=O)C(C)(C)c1ccccc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574694262 949068478 /nfs/dbraw/zinc/06/84/78/949068478.db2.gz MNQVEZMSPDSXRN-CYBMUJFWSA-N -1 1 380.456 1.893 20 0 GDADMM CC(C)[C@@H]1C[C@@H](CC(=O)NCCN(C)c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC001574093015 949089794 /nfs/dbraw/zinc/08/97/94/949089794.db2.gz QQJBWBUUYQHUTC-ZFWWWQNUSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)[C@@H]1C[C@@H](CC(=O)NCCN(C)c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC001574093015 949089818 /nfs/dbraw/zinc/08/98/18/949089818.db2.gz QQJBWBUUYQHUTC-ZFWWWQNUSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)c1cncnc1 ZINC001574694858 949097189 /nfs/dbraw/zinc/09/71/89/949097189.db2.gz XDNAFFSCTUPCCI-ZETCQYMHSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)c1cncnc1 ZINC001574694858 949097207 /nfs/dbraw/zinc/09/72/07/949097207.db2.gz XDNAFFSCTUPCCI-ZETCQYMHSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)[C@H]1CCCOC1 ZINC001574695202 949103474 /nfs/dbraw/zinc/10/34/74/949103474.db2.gz DYEVCOOLAZQJLE-IUCAKERBSA-N -1 1 385.881 1.710 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@H]1CCCOC1 ZINC001574695202 949103483 /nfs/dbraw/zinc/10/34/83/949103483.db2.gz DYEVCOOLAZQJLE-IUCAKERBSA-N -1 1 385.881 1.710 20 0 GDADMM CC(C)c1nocc1C(=O)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574443530 949113031 /nfs/dbraw/zinc/11/30/31/949113031.db2.gz ZOZGWVHLZARIJI-NSHDSACASA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1nocc1C(=O)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574443530 949113042 /nfs/dbraw/zinc/11/30/42/949113042.db2.gz ZOZGWVHLZARIJI-NSHDSACASA-N -1 1 383.416 1.485 20 0 GDADMM C[C@@H](NC(=O)C1(C(F)(F)F)CCC1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575250705 949115859 /nfs/dbraw/zinc/11/58/59/949115859.db2.gz GNYXMSQZCCYEET-DTWKUNHWSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](NC(=O)C1(C(F)(F)F)CCC1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575250705 949115872 /nfs/dbraw/zinc/11/58/72/949115872.db2.gz GNYXMSQZCCYEET-DTWKUNHWSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](C)NC(=O)C(C)(C)CC(F)(F)F ZINC001575250909 949118673 /nfs/dbraw/zinc/11/86/73/949118673.db2.gz IOHDBYMBQFMICV-BDAKNGLRSA-N -1 1 386.382 1.940 20 0 GDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](C)NC(=O)C(C)(C)CC(F)(F)F ZINC001575250909 949118686 /nfs/dbraw/zinc/11/86/86/949118686.db2.gz IOHDBYMBQFMICV-BDAKNGLRSA-N -1 1 386.382 1.940 20 0 GDADMM CC(C)(C(=O)NCCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1)C1CCC1 ZINC001573782290 949119271 /nfs/dbraw/zinc/11/92/71/949119271.db2.gz QUDQFMDBMLIMLX-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)NCCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1)C1CCC1 ZINC001573782290 949119287 /nfs/dbraw/zinc/11/92/87/949119287.db2.gz QUDQFMDBMLIMLX-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)c1nc(C(=O)N[C@@H](C)CCNc2nccnc2-c2nnn[n-]2)cs1 ZINC001574696188 949122763 /nfs/dbraw/zinc/12/27/63/949122763.db2.gz MPHVBIHJMSZSQV-JTQLQIEISA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)c1nc(C(=O)N[C@@H](C)CCNc2nccnc2-c2nn[n-]n2)cs1 ZINC001574696188 949122778 /nfs/dbraw/zinc/12/27/78/949122778.db2.gz MPHVBIHJMSZSQV-JTQLQIEISA-N -1 1 387.473 1.857 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cc(C(C)(C)C)on1 ZINC001574696239 949124872 /nfs/dbraw/zinc/12/48/72/949124872.db2.gz OFGYUPBMNJIHSC-SNVBAGLBSA-N -1 1 385.432 1.563 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cc(C(C)(C)C)on1 ZINC001574696239 949124885 /nfs/dbraw/zinc/12/48/85/949124885.db2.gz OFGYUPBMNJIHSC-SNVBAGLBSA-N -1 1 385.432 1.563 20 0 GDADMM CC(C)c1ocnc1C(=O)N(C)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001574446182 949125831 /nfs/dbraw/zinc/12/58/31/949125831.db2.gz JLBAQGFNAZFJJI-NSHDSACASA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1ocnc1C(=O)N(C)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001574446182 949125844 /nfs/dbraw/zinc/12/58/44/949125844.db2.gz JLBAQGFNAZFJJI-NSHDSACASA-N -1 1 383.416 1.119 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cnn(C2CCC2)c1 ZINC001574696850 949142790 /nfs/dbraw/zinc/14/27/90/949142790.db2.gz VRZDPHCFYYBHIX-LLVKDONJSA-N -1 1 382.432 1.199 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cnn(C2CCC2)c1 ZINC001574696850 949142801 /nfs/dbraw/zinc/14/28/01/949142801.db2.gz VRZDPHCFYYBHIX-LLVKDONJSA-N -1 1 382.432 1.199 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574447105 949149492 /nfs/dbraw/zinc/14/94/92/949149492.db2.gz GDLDWHOLPWZKDJ-NSHDSACASA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574447105 949149510 /nfs/dbraw/zinc/14/95/10/949149510.db2.gz GDLDWHOLPWZKDJ-NSHDSACASA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574446994 949150781 /nfs/dbraw/zinc/15/07/81/949150781.db2.gz FFTWETPRBNRHRN-NSHDSACASA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574446994 949150793 /nfs/dbraw/zinc/15/07/93/949150793.db2.gz FFTWETPRBNRHRN-NSHDSACASA-N -1 1 383.416 1.485 20 0 GDADMM C[C@H](NC(=O)C12CCC(CC1)C2(C)C)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575252064 949157113 /nfs/dbraw/zinc/15/71/13/949157113.db2.gz DRGMQEYRIVBPEP-BLLWQLBWSA-N -1 1 384.488 1.600 20 0 GDADMM CC(C)(C(=O)N[C@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001573786966 949158240 /nfs/dbraw/zinc/15/82/40/949158240.db2.gz LGYLKEWKKXFMNK-MQMHXKEQSA-N -1 1 384.488 1.602 20 0 GDADMM CC(C)(C(=O)N[C@H]1CC[C@H](Nc2nccnc2-c2nnn[n-]2)CC1)C(F)F ZINC001573787088 949163423 /nfs/dbraw/zinc/16/34/23/949163423.db2.gz NNIFWJZDJCXMBY-MGCOHNPYSA-N -1 1 380.403 1.787 20 0 GDADMM CC(C)(C(=O)N[C@H]1CC[C@H](Nc2nccnc2-c2nn[n-]n2)CC1)C(F)F ZINC001573787088 949163432 /nfs/dbraw/zinc/16/34/32/949163432.db2.gz NNIFWJZDJCXMBY-MGCOHNPYSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@H](CNC(=O)COc1cccc(Cl)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574934473 949163843 /nfs/dbraw/zinc/16/38/43/949163843.db2.gz IWJCAGADOYHWIW-SNVBAGLBSA-N -1 1 388.819 1.306 20 0 GDADMM C[C@H](CNC(=O)COc1cccc(Cl)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574934473 949163854 /nfs/dbraw/zinc/16/38/54/949163854.db2.gz IWJCAGADOYHWIW-SNVBAGLBSA-N -1 1 388.819 1.306 20 0 GDADMM CC(C)c1ocnc1C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001574447695 949168651 /nfs/dbraw/zinc/16/86/51/949168651.db2.gz XWFJDLAUNVAMHX-ZYHUDNBSSA-N -1 1 383.416 1.023 20 0 GDADMM CC(C)c1ocnc1C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001574447695 949168659 /nfs/dbraw/zinc/16/86/59/949168659.db2.gz XWFJDLAUNVAMHX-ZYHUDNBSSA-N -1 1 383.416 1.023 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H](F)Cc1ccccc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574698170 949180770 /nfs/dbraw/zinc/18/07/70/949180770.db2.gz GXFZRNAXCOEBDJ-JSGCOSHPSA-N -1 1 384.419 1.496 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H](F)Cc1ccccc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574698170 949180780 /nfs/dbraw/zinc/18/07/80/949180780.db2.gz GXFZRNAXCOEBDJ-JSGCOSHPSA-N -1 1 384.419 1.496 20 0 GDADMM CC(C)c1oncc1C(=O)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574448364 949185864 /nfs/dbraw/zinc/18/58/64/949185864.db2.gz JLVZEUVPPICNQE-UHFFFAOYSA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1oncc1C(=O)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574448364 949185881 /nfs/dbraw/zinc/18/58/81/949185881.db2.gz JLVZEUVPPICNQE-UHFFFAOYSA-N -1 1 383.416 1.485 20 0 GDADMM C[C@H](CNC(=O)COc1ccccc1F)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574934961 949187567 /nfs/dbraw/zinc/18/75/67/949187567.db2.gz WAXHRFVNXAKQHI-NSHDSACASA-N -1 1 386.391 1.039 20 0 GDADMM C[C@H](CNC(=O)COc1ccccc1F)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574934961 949187578 /nfs/dbraw/zinc/18/75/78/949187578.db2.gz WAXHRFVNXAKQHI-NSHDSACASA-N -1 1 386.391 1.039 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(F)c(F)c1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574935384 949201847 /nfs/dbraw/zinc/20/18/47/949201847.db2.gz BCTXUZBHDBPOTB-JTQLQIEISA-N -1 1 388.382 1.342 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(F)c(F)c1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574935384 949201863 /nfs/dbraw/zinc/20/18/63/949201863.db2.gz BCTXUZBHDBPOTB-JTQLQIEISA-N -1 1 388.382 1.342 20 0 GDADMM CC1(Nc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)C2C=CC=CC=C2)CC1 ZINC001575853305 949209104 /nfs/dbraw/zinc/20/91/04/949209104.db2.gz OXLKYIGJMTYCCQ-UHFFFAOYSA-N -1 1 378.440 1.748 20 0 GDADMM CC1(Nc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)C2C=CC=CC=C2)CC1 ZINC001575853305 949209125 /nfs/dbraw/zinc/20/91/25/949209125.db2.gz OXLKYIGJMTYCCQ-UHFFFAOYSA-N -1 1 378.440 1.748 20 0 GDADMM C[C@@H](CNC(=O)Cc1cc(F)ccc1F)CNc1nccnc1-c1nnn[n-]1 ZINC001574936762 949216824 /nfs/dbraw/zinc/21/68/24/949216824.db2.gz KQPKVUKBCVRVDH-JTQLQIEISA-N -1 1 388.382 1.342 20 0 GDADMM C[C@@H](CNC(=O)Cc1cc(F)ccc1F)CNc1nccnc1-c1nn[n-]n1 ZINC001574936762 949216846 /nfs/dbraw/zinc/21/68/46/949216846.db2.gz KQPKVUKBCVRVDH-JTQLQIEISA-N -1 1 388.382 1.342 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(F)c(F)c1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574936880 949220440 /nfs/dbraw/zinc/22/04/40/949220440.db2.gz LSLQYQQFMYUXGB-SNVBAGLBSA-N -1 1 388.382 1.119 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(F)c(F)c1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574936880 949220461 /nfs/dbraw/zinc/22/04/61/949220461.db2.gz LSLQYQQFMYUXGB-SNVBAGLBSA-N -1 1 388.382 1.119 20 0 GDADMM C[C@H](NC(=O)C1(Cc2ccccc2)CC1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575255089 949220800 /nfs/dbraw/zinc/22/08/00/949220800.db2.gz PHBKOSSFTRRYIB-KBPBESRZSA-N -1 1 392.467 1.985 20 0 GDADMM C[C@H](NC(=O)C1(Cc2ccccc2)CC1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575255089 949220819 /nfs/dbraw/zinc/22/08/19/949220819.db2.gz PHBKOSSFTRRYIB-KBPBESRZSA-N -1 1 392.467 1.985 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574451190 949221844 /nfs/dbraw/zinc/22/18/44/949221844.db2.gz GMTBHOXYOLYVDQ-JTQLQIEISA-N -1 1 385.457 1.245 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574451190 949221861 /nfs/dbraw/zinc/22/18/61/949221861.db2.gz GMTBHOXYOLYVDQ-JTQLQIEISA-N -1 1 385.457 1.245 20 0 GDADMM CC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC001575853644 949221693 /nfs/dbraw/zinc/22/16/93/949221693.db2.gz WORDETCIYQKYNL-UHFFFAOYSA-N -1 1 387.835 1.745 20 0 GDADMM CC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC001575853644 949221710 /nfs/dbraw/zinc/22/17/10/949221710.db2.gz WORDETCIYQKYNL-UHFFFAOYSA-N -1 1 387.835 1.745 20 0 GDADMM CC(C)(C)C(=O)N1CCC2(CC1)CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001573791812 949230507 /nfs/dbraw/zinc/23/05/07/949230507.db2.gz GLTYNVPMGCOHCQ-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)(C)C(=O)N1CCC2(CC1)CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001573791812 949230519 /nfs/dbraw/zinc/23/05/19/949230519.db2.gz GLTYNVPMGCOHCQ-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)CCc2ccoc2)CC1 ZINC001575855830 949238500 /nfs/dbraw/zinc/23/85/00/949238500.db2.gz ASPGPXOJVVWZHG-UHFFFAOYSA-N -1 1 382.428 1.676 20 0 GDADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)CCc2ccoc2)CC1 ZINC001575855830 949238524 /nfs/dbraw/zinc/23/85/24/949238524.db2.gz ASPGPXOJVVWZHG-UHFFFAOYSA-N -1 1 382.428 1.676 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H](F)Cc1ccccc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574699480 949239107 /nfs/dbraw/zinc/23/91/07/949239107.db2.gz VICMCJXXBBVTAH-TZMCWYRMSA-N -1 1 384.419 1.496 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H](F)Cc1ccccc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574699480 949239132 /nfs/dbraw/zinc/23/91/32/949239132.db2.gz VICMCJXXBBVTAH-TZMCWYRMSA-N -1 1 384.419 1.496 20 0 GDADMM C[C@@H]1CCC[C@]1(C)C(=O)NCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576151953 949240265 /nfs/dbraw/zinc/24/02/65/949240265.db2.gz GWPQLRNNFCOTIA-YJYMSZOUSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H]1CCC[C@]1(C)C(=O)NCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576151953 949240278 /nfs/dbraw/zinc/24/02/78/949240278.db2.gz GWPQLRNNFCOTIA-YJYMSZOUSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)n1cc(C(=O)NCC2CC(Nc3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001574452214 949252972 /nfs/dbraw/zinc/25/29/72/949252972.db2.gz GRTHNWXAENCURT-UHFFFAOYSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cc(C(=O)NCC2CC(Nc3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001574452214 949252996 /nfs/dbraw/zinc/25/29/96/949252996.db2.gz GRTHNWXAENCURT-UHFFFAOYSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(C2CC2)c1)CNc1nccnc1-c1nnn[n-]1 ZINC001574940441 949264609 /nfs/dbraw/zinc/26/46/09/949264609.db2.gz FYHOORJZTIUESI-ZDUSSCGKSA-N -1 1 392.467 1.941 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(C2CC2)c1)CNc1nccnc1-c1nn[n-]n1 ZINC001574940441 949264613 /nfs/dbraw/zinc/26/46/13/949264613.db2.gz FYHOORJZTIUESI-ZDUSSCGKSA-N -1 1 392.467 1.941 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(Cl)c1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574940623 949267218 /nfs/dbraw/zinc/26/72/18/949267218.db2.gz HRFSWAFZEYCBLY-NSHDSACASA-N -1 1 386.847 1.717 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(Cl)c1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574940623 949267236 /nfs/dbraw/zinc/26/72/36/949267236.db2.gz HRFSWAFZEYCBLY-NSHDSACASA-N -1 1 386.847 1.717 20 0 GDADMM CC(C)(C)C(=O)C(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C1CCCC1 ZINC001573792864 949275419 /nfs/dbraw/zinc/27/54/19/949275419.db2.gz GSDZAKGNKPFXLV-GFCCVEGCSA-N -1 1 386.460 1.359 20 0 GDADMM CC(C)(C)C(=O)C(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C1CCCC1 ZINC001573792864 949275439 /nfs/dbraw/zinc/27/54/39/949275439.db2.gz GSDZAKGNKPFXLV-GFCCVEGCSA-N -1 1 386.460 1.359 20 0 GDADMM CC(C)n1ccc(C(=O)N(C)C2CC(Nc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001574454709 949284216 /nfs/dbraw/zinc/28/42/16/949284216.db2.gz ATJSOEPJUWLHGJ-UHFFFAOYSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1ccc(C(=O)N(C)C2CC(Nc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001574454709 949284235 /nfs/dbraw/zinc/28/42/35/949284235.db2.gz ATJSOEPJUWLHGJ-UHFFFAOYSA-N -1 1 382.432 1.149 20 0 GDADMM C[C@@H]1CCC[C@@H]1CC(=O)NCC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001576153755 949294573 /nfs/dbraw/zinc/29/45/73/949294573.db2.gz ATPVAMGSLBQJKN-UKRRQHHQSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H]1CCC[C@@H]1CC(=O)NCC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001576153755 949294593 /nfs/dbraw/zinc/29/45/93/949294593.db2.gz ATPVAMGSLBQJKN-UKRRQHHQSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](NC(=O)C1=COCCC1)[C@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575258486 949301707 /nfs/dbraw/zinc/30/17/07/949301707.db2.gz IABMKBGYJZOSJV-SFYZADRCSA-N -1 1 383.865 1.976 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccon1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574941427 949304852 /nfs/dbraw/zinc/30/48/52/949304852.db2.gz DGRSRROCFYLKIT-ZETCQYMHSA-N -1 1 382.837 1.148 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccon1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574941427 949304876 /nfs/dbraw/zinc/30/48/76/949304876.db2.gz DGRSRROCFYLKIT-ZETCQYMHSA-N -1 1 382.837 1.148 20 0 GDADMM CC(C)CC(=O)N1CCC[C@H]([C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001574108959 949308690 /nfs/dbraw/zinc/30/86/90/949308690.db2.gz SONOCWNGWVIYRN-GJZGRUSLSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)CC(=O)N1CCC[C@H]([C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001574108959 949308715 /nfs/dbraw/zinc/30/87/15/949308715.db2.gz SONOCWNGWVIYRN-GJZGRUSLSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)n1ccc(C(=O)N2CCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001574457244 949320939 /nfs/dbraw/zinc/32/09/39/949320939.db2.gz DHGJLSGISYZJRT-LBPRGKRZSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1ccc(C(=O)N2CCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001574457244 949320957 /nfs/dbraw/zinc/32/09/57/949320957.db2.gz DHGJLSGISYZJRT-LBPRGKRZSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccon1 ZINC001576154168 949322756 /nfs/dbraw/zinc/32/27/56/949322756.db2.gz CGVDIDGDQUWDCM-PIGZYNQJSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccon1 ZINC001576154168 949322781 /nfs/dbraw/zinc/32/27/81/949322781.db2.gz CGVDIDGDQUWDCM-PIGZYNQJSA-N -1 1 383.416 1.436 20 0 GDADMM CC(C)n1ccc(C(=O)N(C)CCCN(C)c2cnc(-c3nnn[n-]3)cn2)n1 ZINC001574457400 949326207 /nfs/dbraw/zinc/32/62/07/949326207.db2.gz KHZHFUGLPVZIGS-UHFFFAOYSA-N -1 1 384.448 1.033 20 0 GDADMM CC(C)n1ccc(C(=O)N(C)CCCN(C)c2cnc(-c3nn[n-]n3)cn2)n1 ZINC001574457400 949326226 /nfs/dbraw/zinc/32/62/26/949326226.db2.gz KHZHFUGLPVZIGS-UHFFFAOYSA-N -1 1 384.448 1.033 20 0 GDADMM CC(C)CC(=O)N1CCOC2(CN(Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001574109727 949328912 /nfs/dbraw/zinc/32/89/12/949328912.db2.gz BHUJXGALVRXKDQ-UHFFFAOYSA-N -1 1 376.486 1.388 20 0 GDADMM CC(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573796944 949341441 /nfs/dbraw/zinc/34/14/41/949341441.db2.gz XSCQUPUAJLGPIB-RKDXNWHRSA-N -1 1 384.366 1.504 20 0 GDADMM CC(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573796944 949341448 /nfs/dbraw/zinc/34/14/48/949341448.db2.gz XSCQUPUAJLGPIB-RKDXNWHRSA-N -1 1 384.366 1.504 20 0 GDADMM CC1=CC[C@](C)(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575863265 949344634 /nfs/dbraw/zinc/34/46/34/949344634.db2.gz BDZPQVZHFGRJNS-LIRRHRJNSA-N -1 1 382.472 1.878 20 0 GDADMM CC1=CC[C@](C)(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575863265 949344656 /nfs/dbraw/zinc/34/46/56/949344656.db2.gz BDZPQVZHFGRJNS-LIRRHRJNSA-N -1 1 382.472 1.878 20 0 GDADMM CC(C)CC(=O)N1CCO[C@H](CNc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001574110084 949350454 /nfs/dbraw/zinc/35/04/54/949350454.db2.gz PCXNZPNOVXABDU-SECBINFHSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](NC(=O)C1C=CC=CC=C1)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575260463 949358739 /nfs/dbraw/zinc/35/87/39/949358739.db2.gz WCPOWIZPNPQYHJ-GDBMZVCRSA-N -1 1 392.467 1.676 20 0 GDADMM C[C@@H](NC(=O)C1C=CC=CC=C1)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575260463 949358757 /nfs/dbraw/zinc/35/87/57/949358757.db2.gz WCPOWIZPNPQYHJ-GDBMZVCRSA-N -1 1 392.467 1.676 20 0 GDADMM C[C@@H]1CCC[C@@H](C(=O)N2CCC(N(C)c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576154957 949372740 /nfs/dbraw/zinc/37/27/40/949372740.db2.gz RXKXDPJYMPRWNC-ZIAGYGMSSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCC[C@@H](C(=O)N2CCC(N(C)c3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001576154957 949372760 /nfs/dbraw/zinc/37/27/60/949372760.db2.gz RXKXDPJYMPRWNC-ZIAGYGMSSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)n1cccc1C(=O)NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574463853 949389262 /nfs/dbraw/zinc/38/92/62/949389262.db2.gz DANBTRGBHZUWRG-UHFFFAOYSA-N -1 1 381.444 1.082 20 0 GDADMM C[C@H](NC(=O)CC(F)(F)F)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575263689 949402152 /nfs/dbraw/zinc/40/21/52/949402152.db2.gz IUAMYLGONBQBNM-VHSXEESVSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](NC(=O)CC(F)(F)F)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575263689 949402168 /nfs/dbraw/zinc/40/21/68/949402168.db2.gz IUAMYLGONBQBNM-VHSXEESVSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(C)C(=O)NC[C@@H]1c2ccccc2CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001573802019 949406901 /nfs/dbraw/zinc/40/69/01/949406901.db2.gz BVVJABYDSPQKKW-OAHLLOKOSA-N -1 1 392.467 1.923 20 0 GDADMM C[C@H]1CCC[C@@H]1CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001576155607 949412703 /nfs/dbraw/zinc/41/27/03/949412703.db2.gz JKUWUUNYVDMWGH-LJISPDSOSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H]1CCC[C@@H]1CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001576155607 949412719 /nfs/dbraw/zinc/41/27/19/949412719.db2.gz JKUWUUNYVDMWGH-LJISPDSOSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H]1CCC[C@H](C(=O)NCC2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001576155818 949417518 /nfs/dbraw/zinc/41/75/18/949417518.db2.gz VGJJAOJEAHCEMO-ZFWWWQNUSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)n1cnc(C(=O)NC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C2CC2)c1 ZINC001574464694 949423916 /nfs/dbraw/zinc/42/39/16/949423916.db2.gz RYXSLSJKDBVASS-LBPRGKRZSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cnc(C(=O)NC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C2CC2)c1 ZINC001574464694 949423926 /nfs/dbraw/zinc/42/39/26/949423926.db2.gz RYXSLSJKDBVASS-LBPRGKRZSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@H]1CCC[C@@H]1CC(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001576155942 949427512 /nfs/dbraw/zinc/42/75/12/949427512.db2.gz KOGXPJMDFQCABC-LJISPDSOSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H]1CCC[C@@H]1CC(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001576155942 949427518 /nfs/dbraw/zinc/42/75/18/949427518.db2.gz KOGXPJMDFQCABC-LJISPDSOSA-N -1 1 382.472 1.378 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001574465121 949427747 /nfs/dbraw/zinc/42/77/47/949427747.db2.gz OYKIXYZSICYNOL-TZMCWYRMSA-N -1 1 381.444 1.294 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001574465121 949427764 /nfs/dbraw/zinc/42/77/64/949427764.db2.gz OYKIXYZSICYNOL-TZMCWYRMSA-N -1 1 381.444 1.294 20 0 GDADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)CC(C)(C)C(F)(F)F ZINC001575265816 949456169 /nfs/dbraw/zinc/45/61/69/949456169.db2.gz VSDYIPNSVOMNHU-BDAKNGLRSA-N -1 1 386.382 1.940 20 0 GDADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)CC(C)(C)C(F)(F)F ZINC001575265816 949456184 /nfs/dbraw/zinc/45/61/84/949456184.db2.gz VSDYIPNSVOMNHU-BDAKNGLRSA-N -1 1 386.382 1.940 20 0 GDADMM C[C@H]1CCC[C@@H](C(=O)N2CCC(N(C)c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001576156931 949464685 /nfs/dbraw/zinc/46/46/85/949464685.db2.gz YDAVYROSKSVDQH-UONOGXRCSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CCC[C@@H](C(=O)N2CCC(N(C)c3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC001576156931 949464692 /nfs/dbraw/zinc/46/46/92/949464692.db2.gz YDAVYROSKSVDQH-UONOGXRCSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CC(=O)N[C@@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C[C@H]1O ZINC001574117501 949476316 /nfs/dbraw/zinc/47/63/16/949476316.db2.gz VXKNCJXZXGJBBK-RKDXNWHRSA-N -1 1 385.881 1.079 20 0 GDADMM CC(C)CC(=O)N[C@@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C[C@H]1O ZINC001574117501 949476325 /nfs/dbraw/zinc/47/63/25/949476325.db2.gz VXKNCJXZXGJBBK-RKDXNWHRSA-N -1 1 385.881 1.079 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1CCCC(F)(F)C1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574708266 949487942 /nfs/dbraw/zinc/48/79/42/949487942.db2.gz VBEKZGAQUWGNKD-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1CCCC(F)(F)C1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574708266 949487952 /nfs/dbraw/zinc/48/79/52/949487952.db2.gz VBEKZGAQUWGNKD-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2(C(F)F)CCC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575870615 949488936 /nfs/dbraw/zinc/48/89/36/949488936.db2.gz VVBYHINPJHVOHA-WDEREUQCSA-N -1 1 392.414 1.566 20 0 GDADMM CC(C)(C)C(=O)NCc1ccc2c(c1)CN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001573806950 949497654 /nfs/dbraw/zinc/49/76/54/949497654.db2.gz ZEJNKIQUTBDPGX-UHFFFAOYSA-N -1 1 378.440 1.839 20 0 GDADMM CC(C)(C)C(=O)NCc1ccc2c(c1)CN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001573806950 949497672 /nfs/dbraw/zinc/49/76/72/949497672.db2.gz ZEJNKIQUTBDPGX-UHFFFAOYSA-N -1 1 378.440 1.839 20 0 GDADMM C[C@H]1CCC[C@H]1CC(=O)N1CCC(N(C)c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576158569 949501987 /nfs/dbraw/zinc/50/19/87/949501987.db2.gz UIBFBCOHGWFRNY-KBPBESRZSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CCC[C@H]1CC(=O)N1CCC(N(C)c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576158569 949502004 /nfs/dbraw/zinc/50/20/04/949502004.db2.gz UIBFBCOHGWFRNY-KBPBESRZSA-N -1 1 384.488 1.910 20 0 GDADMM CC1(C(=O)N2CCC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CC(F)(F)C1 ZINC001575538681 949526700 /nfs/dbraw/zinc/52/67/00/949526700.db2.gz IWSMHRAJYLPORM-JTQLQIEISA-N -1 1 378.387 1.495 20 0 GDADMM CC1(C(=O)N2CCC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CC(F)(F)C1 ZINC001575538681 949526714 /nfs/dbraw/zinc/52/67/14/949526714.db2.gz IWSMHRAJYLPORM-JTQLQIEISA-N -1 1 378.387 1.495 20 0 GDADMM C[C@@H]1CCCC[C@H]1OCC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576163440 949534286 /nfs/dbraw/zinc/53/42/86/949534286.db2.gz BEVPWBVTDSKCEN-TZMCWYRMSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H]1CCCC[C@H]1OCC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576163440 949534296 /nfs/dbraw/zinc/53/42/96/949534296.db2.gz BEVPWBVTDSKCEN-TZMCWYRMSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1CCc2cccnc21)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574711541 949539778 /nfs/dbraw/zinc/53/97/78/949539778.db2.gz IVFCJUZLNNBRCQ-DGCLKSJQSA-N -1 1 379.428 1.041 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1CCc2cccnc21)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574711541 949539787 /nfs/dbraw/zinc/53/97/87/949539787.db2.gz IVFCJUZLNNBRCQ-DGCLKSJQSA-N -1 1 379.428 1.041 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CC2CC(C)(C)C2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575872530 949547603 /nfs/dbraw/zinc/54/76/03/949547603.db2.gz JLDZFRVHGHCIEM-TZMCWYRMSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CC2CC(C)(C)C2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575872530 949547626 /nfs/dbraw/zinc/54/76/26/949547626.db2.gz JLDZFRVHGHCIEM-TZMCWYRMSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H]1CCCN(C(=O)C2(F)CCCC2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576164249 949551833 /nfs/dbraw/zinc/55/18/33/949551833.db2.gz FYQDXFOXNQIKDA-GXTWGEPZSA-N -1 1 388.451 1.978 20 0 GDADMM C[C@H]1CCCN(C(=O)C2(F)CCCC2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576164249 949551857 /nfs/dbraw/zinc/55/18/57/949551857.db2.gz FYQDXFOXNQIKDA-GXTWGEPZSA-N -1 1 388.451 1.978 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C23CCC(CC2)C3)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575872634 949551999 /nfs/dbraw/zinc/55/19/99/949551999.db2.gz KKZKIPXTMGIHQI-GWMLXNDSSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C23CCC(CC2)C3)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575872634 949552016 /nfs/dbraw/zinc/55/20/16/949552016.db2.gz KKZKIPXTMGIHQI-GWMLXNDSSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CCC(C)(F)F)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575872662 949554007 /nfs/dbraw/zinc/55/40/07/949554007.db2.gz KRYQTAXIQGNNHV-MNOVXSKESA-N -1 1 380.403 1.566 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CCC(C)(F)F)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575872662 949554023 /nfs/dbraw/zinc/55/40/23/949554023.db2.gz KRYQTAXIQGNNHV-MNOVXSKESA-N -1 1 380.403 1.566 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2CC(F)(F)C2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575872711 949557276 /nfs/dbraw/zinc/55/72/76/949557276.db2.gz LBKBASQDTQGMLR-GXSJLCMTSA-N -1 1 378.387 1.176 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2CC(F)(F)C2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575872711 949557294 /nfs/dbraw/zinc/55/72/94/949557294.db2.gz LBKBASQDTQGMLR-GXSJLCMTSA-N -1 1 378.387 1.176 20 0 GDADMM C[C@@H](CC(=O)N(C)C1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574472693 949558899 /nfs/dbraw/zinc/55/88/99/949558899.db2.gz VPVWRTCZIMMVQL-JEYLPNPQSA-N -1 1 392.467 1.674 20 0 GDADMM C[C@H]1CCCN(C(=O)C2(CCF)CC2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576164570 949559540 /nfs/dbraw/zinc/55/95/40/949559540.db2.gz HLOTYUADSDCSEL-JSGCOSHPSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@H]1CCCN(C(=O)C2(CCF)CC2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576164570 949559555 /nfs/dbraw/zinc/55/95/55/949559555.db2.gz HLOTYUADSDCSEL-JSGCOSHPSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)C[C@H](C)c1ccncc1 ZINC001574473236 949562749 /nfs/dbraw/zinc/56/27/49/949562749.db2.gz YXUHUFSGFHQVKR-QWHCGFSZSA-N -1 1 381.444 1.504 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)C[C@H](C)c1ccncc1 ZINC001574473236 949562771 /nfs/dbraw/zinc/56/27/71/949562771.db2.gz YXUHUFSGFHQVKR-QWHCGFSZSA-N -1 1 381.444 1.504 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@@H](C)CNc1nccnc1-c1nnn[n-]1)c1ccncc1 ZINC001574473237 949563661 /nfs/dbraw/zinc/56/36/61/949563661.db2.gz YXUHUFSGFHQVKR-STQMWFEESA-N -1 1 381.444 1.504 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@@H](C)CNc1nccnc1-c1nn[n-]n1)c1ccncc1 ZINC001574473237 949563687 /nfs/dbraw/zinc/56/36/87/949563687.db2.gz YXUHUFSGFHQVKR-STQMWFEESA-N -1 1 381.444 1.504 20 0 GDADMM C[C@@H](CN(C)C(=O)C1Cc2ccccc2C1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574711948 949565664 /nfs/dbraw/zinc/56/56/64/949565664.db2.gz OLOIIYDEVGKCRK-LBPRGKRZSA-N -1 1 378.440 1.331 20 0 GDADMM C[C@@H](CN(C)C(=O)C1Cc2ccccc2C1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574711948 949565676 /nfs/dbraw/zinc/56/56/76/949565676.db2.gz OLOIIYDEVGKCRK-LBPRGKRZSA-N -1 1 378.440 1.331 20 0 GDADMM CC1(C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2cncc(-c3nnn[n-]3)n2)CCCC1 ZINC001575544381 949581562 /nfs/dbraw/zinc/58/15/62/949581562.db2.gz CCOGRXRIPLOEEH-CABCVRRESA-N -1 1 382.472 1.807 20 0 GDADMM CC1(C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2cncc(-c3nn[n-]n3)n2)CCCC1 ZINC001575544381 949581568 /nfs/dbraw/zinc/58/15/68/949581568.db2.gz CCOGRXRIPLOEEH-CABCVRRESA-N -1 1 382.472 1.807 20 0 GDADMM C[C@H]1CCCC[C@H]1OCC(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001576166508 949581514 /nfs/dbraw/zinc/58/15/14/949581514.db2.gz MPOQAGPYAIOOCT-RMRHIDDWSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@H]1CCCC[C@H]1OCC(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001576166508 949581534 /nfs/dbraw/zinc/58/15/34/949581534.db2.gz MPOQAGPYAIOOCT-RMRHIDDWSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@H](NC(=O)CC1(c2ccccc2)CC1)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575270229 949582880 /nfs/dbraw/zinc/58/28/80/949582880.db2.gz YWFPFDDYSUMKBI-KBPBESRZSA-N -1 1 392.467 1.506 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2CC3(CCC3)C2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575874189 949605417 /nfs/dbraw/zinc/60/54/17/949605417.db2.gz RZDQBAPXHXIRFE-JSGCOSHPSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2CC3(CCC3)C2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575874189 949605428 /nfs/dbraw/zinc/60/54/28/949605428.db2.gz RZDQBAPXHXIRFE-JSGCOSHPSA-N -1 1 382.472 1.711 20 0 GDADMM CC1(C(=O)N2CCCC[C@H]2CNc2cncc(-c3nnn[n-]3)n2)CCOCC1 ZINC001575546230 949610358 /nfs/dbraw/zinc/61/03/58/949610358.db2.gz PGMXUZGIRAOXFN-ZDUSSCGKSA-N -1 1 386.460 1.266 20 0 GDADMM CC1(C(=O)N2CCCC[C@H]2CNc2cncc(-c3nn[n-]n3)n2)CCOCC1 ZINC001575546230 949610375 /nfs/dbraw/zinc/61/03/75/949610375.db2.gz PGMXUZGIRAOXFN-ZDUSSCGKSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@@H](CNC(=O)[C@H]1C[C@H]2C[C@H]2C1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001574957469 949615333 /nfs/dbraw/zinc/61/53/33/949615333.db2.gz YOPVCEFZXPNSRA-AXTSPUMRSA-N -1 1 381.893 1.964 20 0 GDADMM C[C@@H](CNC(=O)[C@H]1C[C@H]2C[C@H]2C1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001574957469 949615349 /nfs/dbraw/zinc/61/53/49/949615349.db2.gz YOPVCEFZXPNSRA-AXTSPUMRSA-N -1 1 381.893 1.964 20 0 GDADMM C[C@@H](CC(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1)[C@H]1CCCO1 ZINC001574476779 949619678 /nfs/dbraw/zinc/61/96/78/949619678.db2.gz JUYURYBKSITMMH-SWLSCSKDSA-N -1 1 390.513 1.776 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@H](C)c1ccncc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574714542 949627221 /nfs/dbraw/zinc/62/72/21/949627221.db2.gz FEPQJOOSAOAACM-STQMWFEESA-N -1 1 381.444 1.504 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@H](C)c1ccncc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574714542 949627230 /nfs/dbraw/zinc/62/72/30/949627230.db2.gz FEPQJOOSAOAACM-STQMWFEESA-N -1 1 381.444 1.504 20 0 GDADMM C[C@@]1(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CCc2ccccc21 ZINC001575547582 949631529 /nfs/dbraw/zinc/63/15/29/949631529.db2.gz BCXLARCGQJZWLL-HXUWFJFHSA-N -1 1 390.451 1.209 20 0 GDADMM C[C@@]1(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CCc2ccccc21 ZINC001575547582 949631544 /nfs/dbraw/zinc/63/15/44/949631544.db2.gz BCXLARCGQJZWLL-HXUWFJFHSA-N -1 1 390.451 1.209 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CCC(C)(F)F)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575876206 949640849 /nfs/dbraw/zinc/64/08/49/949640849.db2.gz XFOCOGBPXOBPKZ-GHMZBOCLSA-N -1 1 380.403 1.566 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CCC(C)(F)F)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575876206 949640861 /nfs/dbraw/zinc/64/08/61/949640861.db2.gz XFOCOGBPXOBPKZ-GHMZBOCLSA-N -1 1 380.403 1.566 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574958035 949645501 /nfs/dbraw/zinc/64/55/01/949645501.db2.gz DFGGTGLMXDWZDE-FKTZTGRPSA-N -1 1 381.893 1.964 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574958035 949645511 /nfs/dbraw/zinc/64/55/11/949645511.db2.gz DFGGTGLMXDWZDE-FKTZTGRPSA-N -1 1 381.893 1.964 20 0 GDADMM C[C@H]1CCCC[C@H]1OCC(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576168822 949650516 /nfs/dbraw/zinc/65/05/16/949650516.db2.gz WDQWNJDHUURAAX-RMRHIDDWSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@H]1CCCC[C@H]1OCC(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576168822 949650527 /nfs/dbraw/zinc/65/05/27/949650527.db2.gz WDQWNJDHUURAAX-RMRHIDDWSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@@H]1CCc2ccccc21)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574715472 949653102 /nfs/dbraw/zinc/65/31/02/949653102.db2.gz CYLRTRDKYLGLAX-ZFWWWQNUSA-N -1 1 392.467 1.458 20 0 GDADMM C[C@H]1CCCC[C@@H]1C(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001576168922 949653385 /nfs/dbraw/zinc/65/33/85/949653385.db2.gz HBZVYKSYFMYRTB-XQLPTFJDSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H]1CCCC[C@@H]1C(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001576168922 949653392 /nfs/dbraw/zinc/65/33/92/949653392.db2.gz HBZVYKSYFMYRTB-XQLPTFJDSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001574477527 949659910 /nfs/dbraw/zinc/65/99/10/949659910.db2.gz RZNQYNOTJLQSRR-KBPBESRZSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001574477527 949659921 /nfs/dbraw/zinc/65/99/21/949659921.db2.gz RZNQYNOTJLQSRR-KBPBESRZSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H](CN(C)C(=O)CC1(C(F)(F)F)CC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574715847 949669026 /nfs/dbraw/zinc/66/90/26/949669026.db2.gz LIEIIBGOUXACGY-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](CN(C)C(=O)CC1(C(F)(F)F)CC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574715847 949669036 /nfs/dbraw/zinc/66/90/36/949669036.db2.gz LIEIIBGOUXACGY-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001574477820 949679080 /nfs/dbraw/zinc/67/90/80/949679080.db2.gz VFKZQEYKNJGLES-UWVGGRQHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001574477820 949679097 /nfs/dbraw/zinc/67/90/97/949679097.db2.gz VFKZQEYKNJGLES-UWVGGRQHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@]1(C(=O)N2C[C@@H]3CCC[C@]3(CNc3cnc(-c4nnn[n-]4)cn3)C2)CCOC1 ZINC001575552242 949680117 /nfs/dbraw/zinc/68/01/17/949680117.db2.gz FLRQJJADTAASAW-AGRHKRQWSA-N -1 1 398.471 1.124 20 0 GDADMM C[C@]1(C(=O)N2C[C@@H]3CCC[C@]3(CNc3cnc(-c4nn[n-]n4)cn3)C2)CCOC1 ZINC001575552242 949680130 /nfs/dbraw/zinc/68/01/30/949680130.db2.gz FLRQJJADTAASAW-AGRHKRQWSA-N -1 1 398.471 1.124 20 0 GDADMM CC(C)CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1 ZINC001574132207 949684426 /nfs/dbraw/zinc/68/44/26/949684426.db2.gz SRZBJHDLFNZUDO-NFAWXSAZSA-N -1 1 384.488 1.955 20 0 GDADMM CC(C)CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1 ZINC001574132207 949684439 /nfs/dbraw/zinc/68/44/39/949684439.db2.gz SRZBJHDLFNZUDO-NFAWXSAZSA-N -1 1 384.488 1.955 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)Cc1cscn1 ZINC001573817186 949700511 /nfs/dbraw/zinc/70/05/11/949700511.db2.gz YNAMAQWXGDJKNP-LBPRGKRZSA-N -1 1 387.473 1.299 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)Cc1cscn1 ZINC001573817186 949700521 /nfs/dbraw/zinc/70/05/21/949700521.db2.gz YNAMAQWXGDJKNP-LBPRGKRZSA-N -1 1 387.473 1.299 20 0 GDADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1(CCF)CC1 ZINC001573817350 949702428 /nfs/dbraw/zinc/70/24/28/949702428.db2.gz ZUZAYABSBPOEST-NSHDSACASA-N -1 1 376.440 1.161 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001574478764 949719294 /nfs/dbraw/zinc/71/92/94/949719294.db2.gz AIACJOASPQGSHU-ZIAGYGMSSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574478764 949719307 /nfs/dbraw/zinc/71/93/07/949719307.db2.gz AIACJOASPQGSHU-ZIAGYGMSSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccsc1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574960273 949723265 /nfs/dbraw/zinc/72/32/65/949723265.db2.gz WBBZCLDIMFBGMN-KGYLQXTDSA-N -1 1 384.469 1.108 20 0 GDADMM CC1(C(=O)N2C[C@@]3(C)CN(c4cnc(-c5nnn[n-]5)cn4)C[C@@]3(C)C2)CCC1 ZINC001575558002 949728652 /nfs/dbraw/zinc/72/86/52/949728652.db2.gz METPRKITGBFEOD-KDURUIRLSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C(=O)N2C[C@@]3(C)CN(c4cnc(-c5nn[n-]n5)cn4)C[C@@]3(C)C2)CCC1 ZINC001575558002 949728668 /nfs/dbraw/zinc/72/86/68/949728668.db2.gz METPRKITGBFEOD-KDURUIRLSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H]1CCCC[C@@H]1CC(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576170594 949729919 /nfs/dbraw/zinc/72/99/19/949729919.db2.gz MCWMUKMAXMEJSJ-BYNSBNAKSA-N -1 1 384.488 1.602 20 0 GDADMM C[C@@]1(C(=O)N[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C2CCCC2)CCOC1 ZINC001575558092 949730190 /nfs/dbraw/zinc/73/01/90/949730190.db2.gz OLLQDIYYJZBRGU-SCLBCKFNSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@]1(C(=O)N[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C2CCCC2)CCOC1 ZINC001575558092 949730234 /nfs/dbraw/zinc/73/02/34/949730234.db2.gz OLLQDIYYJZBRGU-SCLBCKFNSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](CC(=O)N1CCC(CN(C)c2ccc(-c3nnn[n-]3)nn2)CC1)C1CC1 ZINC001574479744 949745024 /nfs/dbraw/zinc/74/50/24/949745024.db2.gz GPLSTKUHVCJJAW-ZDUSSCGKSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](CC(=O)N1CCC(CN(C)c2ccc(-c3nn[n-]n3)nn2)CC1)C1CC1 ZINC001574479744 949745034 /nfs/dbraw/zinc/74/50/34/949745034.db2.gz GPLSTKUHVCJJAW-ZDUSSCGKSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1)c1ccccc1 ZINC001574480816 949757709 /nfs/dbraw/zinc/75/77/09/949757709.db2.gz JWFLMWCQAMHPLV-GDBMZVCRSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1)c1ccccc1 ZINC001574480816 949757723 /nfs/dbraw/zinc/75/77/23/949757723.db2.gz JWFLMWCQAMHPLV-GDBMZVCRSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001574480839 949760232 /nfs/dbraw/zinc/76/02/32/949760232.db2.gz KJDHMJCKCIVCMB-UWVGGRQHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001574480839 949760244 /nfs/dbraw/zinc/76/02/44/949760244.db2.gz KJDHMJCKCIVCMB-UWVGGRQHSA-N -1 1 384.366 1.282 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)Cc1cccnc1 ZINC001573820330 949761930 /nfs/dbraw/zinc/76/19/30/949761930.db2.gz XVGFHHNQANZKRG-CQSZACIVSA-N -1 1 381.444 1.237 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)Cc1cccnc1 ZINC001573820330 949761941 /nfs/dbraw/zinc/76/19/41/949761941.db2.gz XVGFHHNQANZKRG-CQSZACIVSA-N -1 1 381.444 1.237 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001574481075 949765601 /nfs/dbraw/zinc/76/56/01/949765601.db2.gz MKNHRVFRJGGEMC-KGLIPLIRSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001574481075 949765613 /nfs/dbraw/zinc/76/56/13/949765613.db2.gz MKNHRVFRJGGEMC-KGLIPLIRSA-N -1 1 381.444 1.147 20 0 GDADMM CC1(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nnn[n-]2)CCCC1 ZINC001575559783 949768463 /nfs/dbraw/zinc/76/84/63/949768463.db2.gz HEGGIZQNEKBUTH-AGUYFDCRSA-N -1 1 382.472 1.853 20 0 GDADMM CC1(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nn[n-]n2)CCCC1 ZINC001575559783 949768479 /nfs/dbraw/zinc/76/84/79/949768479.db2.gz HEGGIZQNEKBUTH-AGUYFDCRSA-N -1 1 382.472 1.853 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N1CCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001574137867 949773457 /nfs/dbraw/zinc/77/34/57/949773457.db2.gz YMAWZRJUWPUSTE-KBPBESRZSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N1CCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001574137867 949773478 /nfs/dbraw/zinc/77/34/78/949773478.db2.gz YMAWZRJUWPUSTE-KBPBESRZSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@@H]1CCCO1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574718319 949775736 /nfs/dbraw/zinc/77/57/36/949775736.db2.gz ZTYRAYHXNXBFNU-IUCAKERBSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@@H]1CCCO1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574718319 949775756 /nfs/dbraw/zinc/77/57/56/949775756.db2.gz ZTYRAYHXNXBFNU-IUCAKERBSA-N -1 1 385.881 1.805 20 0 GDADMM CC1(C(=O)N[C@H]2CC23CCN(c2cnc(-c4nnn[n-]4)cn2)CC3)CCCC1 ZINC001575560073 949778192 /nfs/dbraw/zinc/77/81/92/949778192.db2.gz JQCBDNZTVDCAHQ-AWEZNQCLSA-N -1 1 382.472 1.712 20 0 GDADMM CC1(C(=O)N[C@H]2CC23CCN(c2cnc(-c4nn[n-]n4)cn2)CC3)CCCC1 ZINC001575560073 949778212 /nfs/dbraw/zinc/77/82/12/949778212.db2.gz JQCBDNZTVDCAHQ-AWEZNQCLSA-N -1 1 382.472 1.712 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@@H]1CCCCO1 ZINC001573822109 949783645 /nfs/dbraw/zinc/78/36/45/949783645.db2.gz FNMNQJIAPZKVCK-STQMWFEESA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@@H]1CCCCO1 ZINC001573822109 949783661 /nfs/dbraw/zinc/78/36/61/949783661.db2.gz FNMNQJIAPZKVCK-STQMWFEESA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccc(F)cn1 ZINC001573822544 949790444 /nfs/dbraw/zinc/79/04/44/949790444.db2.gz JKQVCJNCGQDANW-ZDUSSCGKSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccc(F)cn1 ZINC001573822544 949790460 /nfs/dbraw/zinc/79/04/60/949790460.db2.gz JKQVCJNCGQDANW-ZDUSSCGKSA-N -1 1 385.407 1.447 20 0 GDADMM CC1(C(=O)N[C@@H]2CC23CCN(c2cncc(-c4nnn[n-]4)n2)CC3)CCCC1 ZINC001575560541 949794106 /nfs/dbraw/zinc/79/41/06/949794106.db2.gz RMCZLEMKWTUISI-CQSZACIVSA-N -1 1 382.472 1.712 20 0 GDADMM CC1(C(=O)N[C@@H]2CC23CCN(c2cncc(-c4nn[n-]n4)n2)CC3)CCCC1 ZINC001575560541 949794121 /nfs/dbraw/zinc/79/41/21/949794121.db2.gz RMCZLEMKWTUISI-CQSZACIVSA-N -1 1 382.472 1.712 20 0 GDADMM C[C@@H](CN(C)C(=O)CCCc1ccsc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574720585 949794483 /nfs/dbraw/zinc/79/44/83/949794483.db2.gz DDBJVLLFCBKLGU-LBPRGKRZSA-N -1 1 386.485 2.000 20 0 GDADMM C[C@@H](CN(C)C(=O)CCCc1ccsc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574720585 949794493 /nfs/dbraw/zinc/79/44/93/949794493.db2.gz DDBJVLLFCBKLGU-LBPRGKRZSA-N -1 1 386.485 2.000 20 0 GDADMM C[C@@H]1CCCN(C(=O)COCC2CC2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576172310 949802439 /nfs/dbraw/zinc/80/24/39/949802439.db2.gz WGNXAJFVKMTJGC-OCCSQVGLSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H]1CCCN(C(=O)COCC2CC2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576172310 949802460 /nfs/dbraw/zinc/80/24/60/949802460.db2.gz WGNXAJFVKMTJGC-OCCSQVGLSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C(=O)N[C@@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C23CCC3)CC=CC1 ZINC001575561168 949803053 /nfs/dbraw/zinc/80/30/53/949803053.db2.gz ZRZYKBHVUYOXSC-UONOGXRCSA-N -1 1 380.456 1.852 20 0 GDADMM CC1(C(=O)N[C@@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C23CCC3)CC=CC1 ZINC001575561168 949803073 /nfs/dbraw/zinc/80/30/73/949803073.db2.gz ZRZYKBHVUYOXSC-UONOGXRCSA-N -1 1 380.456 1.852 20 0 GDADMM C[C@H](CN(C)C(=O)CCOc1ccccc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574720810 949805580 /nfs/dbraw/zinc/80/55/80/949805580.db2.gz HPMMNVBXTGPPQB-CYBMUJFWSA-N -1 1 382.428 1.385 20 0 GDADMM C[C@H](CN(C)C(=O)CCOc1ccccc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574720810 949805596 /nfs/dbraw/zinc/80/55/96/949805596.db2.gz HPMMNVBXTGPPQB-CYBMUJFWSA-N -1 1 382.428 1.385 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001574482009 949813265 /nfs/dbraw/zinc/81/32/65/949813265.db2.gz YPAOTSONKPDJKJ-OLZOCXBDSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001574482009 949813298 /nfs/dbraw/zinc/81/32/98/949813298.db2.gz YPAOTSONKPDJKJ-OLZOCXBDSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1)C1CC1 ZINC001574482000 949816957 /nfs/dbraw/zinc/81/69/57/949816957.db2.gz YMUMXUPNESVQBZ-ORAYPTAESA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1)C1CC1 ZINC001574482000 949816977 /nfs/dbraw/zinc/81/69/77/949816977.db2.gz YMUMXUPNESVQBZ-ORAYPTAESA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H](CNC(=O)c1c(F)cccc1Cl)CNc1nccnc1-c1nnn[n-]1 ZINC001574965848 949821695 /nfs/dbraw/zinc/82/16/95/949821695.db2.gz NKNDUFADEOSXNA-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CNC(=O)c1c(F)cccc1Cl)CNc1nccnc1-c1nn[n-]n1 ZINC001574965848 949821719 /nfs/dbraw/zinc/82/17/19/949821719.db2.gz NKNDUFADEOSXNA-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM C[C@H](CNC(=O)c1c(F)cccc1Cl)Nc1nccnc1-c1nnn[n-]1 ZINC001574966414 949849322 /nfs/dbraw/zinc/84/93/22/949849322.db2.gz YPCHXJMLNYPIKG-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CNC(=O)c1c(F)cccc1Cl)Nc1nccnc1-c1nn[n-]n1 ZINC001574966414 949849339 /nfs/dbraw/zinc/84/93/39/949849339.db2.gz YPCHXJMLNYPIKG-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CC(=O)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1)C(F)(F)F ZINC001574484034 949856485 /nfs/dbraw/zinc/85/64/85/949856485.db2.gz CRUOTEWJGZIYQC-SNVBAGLBSA-N -1 1 384.366 1.284 20 0 GDADMM C[C@H](CC(=O)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1)C(F)(F)F ZINC001574484034 949856501 /nfs/dbraw/zinc/85/65/01/949856501.db2.gz CRUOTEWJGZIYQC-SNVBAGLBSA-N -1 1 384.366 1.284 20 0 GDADMM CC1(C(=O)N[C@@H]2CC[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)CCOCC1 ZINC001575564564 949858426 /nfs/dbraw/zinc/85/84/26/949858426.db2.gz QKZFDADOOUMJCO-CHWSQXEVSA-N -1 1 386.460 1.170 20 0 GDADMM CC1(C(=O)N[C@@H]2CC[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)CCOCC1 ZINC001575564564 949858450 /nfs/dbraw/zinc/85/84/50/949858450.db2.gz QKZFDADOOUMJCO-CHWSQXEVSA-N -1 1 386.460 1.170 20 0 GDADMM CC(C)(C)C1CC(C(=O)N[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C2CC2)C1 ZINC001573825396 949878326 /nfs/dbraw/zinc/87/83/26/949878326.db2.gz UMKNUERJXOTTDV-JXQTWKCFSA-N -1 1 384.488 1.458 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H]2[C@H]1CCN2c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001574484455 949881038 /nfs/dbraw/zinc/88/10/38/949881038.db2.gz HCPQQKAMSCRRNS-UHOFOFEASA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H]2[C@H]1CCN2c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001574484455 949881055 /nfs/dbraw/zinc/88/10/55/949881055.db2.gz HCPQQKAMSCRRNS-UHOFOFEASA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2cc(Cl)c[nH]2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575886982 949895364 /nfs/dbraw/zinc/89/53/64/949895364.db2.gz NLBGWFCGWAOBTN-ONGXEEELSA-N -1 1 387.835 1.426 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2cc(Cl)c[nH]2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575886982 949895389 /nfs/dbraw/zinc/89/53/89/949895389.db2.gz NLBGWFCGWAOBTN-ONGXEEELSA-N -1 1 387.835 1.426 20 0 GDADMM CC(C)(C)/C=C\C(=O)N1CCCC[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001573827192 949915124 /nfs/dbraw/zinc/91/51/24/949915124.db2.gz KRFFQENIPMJDSP-YHAOYDPOSA-N -1 1 384.488 1.864 20 0 GDADMM CC(C)(C)/C=C/C(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573827561 949917813 /nfs/dbraw/zinc/91/78/13/949917813.db2.gz MLWVDIPKZCUUOV-PDFOZTTASA-N -1 1 386.460 1.024 20 0 GDADMM CC(C)(C)/C=C/C(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573827561 949917829 /nfs/dbraw/zinc/91/78/29/949917829.db2.gz MLWVDIPKZCUUOV-PDFOZTTASA-N -1 1 386.460 1.024 20 0 GDADMM CC(C)(C)CC(=O)N1CCC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CC[C@@H]21 ZINC001573830004 949969299 /nfs/dbraw/zinc/96/92/99/949969299.db2.gz HECMKEQMQUSACS-ZFWWWQNUSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)(C)CC(=O)N1CCC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CC[C@@H]21 ZINC001573830004 949969315 /nfs/dbraw/zinc/96/93/15/949969315.db2.gz HECMKEQMQUSACS-ZFWWWQNUSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCN(C(=O)C2CC(C)(C)C2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576180877 949976820 /nfs/dbraw/zinc/97/68/20/949976820.db2.gz FXKGGRDYIOVZTD-TZMCWYRMSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H]1CCN(C(=O)C2CC(C)(C)C2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576180877 949976846 /nfs/dbraw/zinc/97/68/46/949976846.db2.gz FXKGGRDYIOVZTD-TZMCWYRMSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ccc(F)cc2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575891596 950017993 /nfs/dbraw/zinc/01/79/93/950017993.db2.gz LSAGFBRXWJRWRO-RISCZKNCSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ccc(F)cc2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575891596 950018014 /nfs/dbraw/zinc/01/80/14/950018014.db2.gz LSAGFBRXWJRWRO-RISCZKNCSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001574490774 950017859 /nfs/dbraw/zinc/01/78/59/950017859.db2.gz YPXHGOJVSWQWGW-KBMXLJTQSA-N -1 1 390.451 1.640 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2ccccc2F)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575891661 950022381 /nfs/dbraw/zinc/02/23/81/950022381.db2.gz MKGTTWMXOOCGIV-SMDDNHRTSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccoc2)[C@@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001576181898 950025201 /nfs/dbraw/zinc/02/52/01/950025201.db2.gz NEKMZUPZAXOZNU-SWLSCSKDSA-N -1 1 382.428 1.993 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccoc2)[C@@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001576181898 950025225 /nfs/dbraw/zinc/02/52/25/950025225.db2.gz NEKMZUPZAXOZNU-SWLSCSKDSA-N -1 1 382.428 1.993 20 0 GDADMM CC(C)(C)CC(=O)N1C[C@@]2(C)CN(c3nccnc3-c3nnn[n-]3)C[C@@]2(C)C1 ZINC001573835117 950029962 /nfs/dbraw/zinc/02/99/62/950029962.db2.gz OWKJZOVJDWCEMB-KDURUIRLSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)(C)CC(=O)N1C[C@@]2(C)CN(c3nccnc3-c3nn[n-]n3)C[C@@]2(C)C1 ZINC001573835117 950029984 /nfs/dbraw/zinc/02/99/84/950029984.db2.gz OWKJZOVJDWCEMB-KDURUIRLSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2ccc(F)cc2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575891874 950039867 /nfs/dbraw/zinc/03/98/67/950039867.db2.gz ORVMYONGJADNEV-FZMZJTMJSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@H](CC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)n1cccc1 ZINC001574491625 950042769 /nfs/dbraw/zinc/04/27/69/950042769.db2.gz FBTWMDXLGOGBLQ-CYBMUJFWSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](CC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)n1cccc1 ZINC001574491625 950042792 /nfs/dbraw/zinc/04/27/92/950042792.db2.gz FBTWMDXLGOGBLQ-CYBMUJFWSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](CC(=O)N[C@@]1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574492004 950057977 /nfs/dbraw/zinc/05/79/77/950057977.db2.gz IEHCOBVRRGDMFP-SGTLLEGYSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](CC(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001574492232 950072623 /nfs/dbraw/zinc/07/26/23/950072623.db2.gz LHOAWEWSZPJWCO-IDKOKCKLSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](CC(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001574492232 950072641 /nfs/dbraw/zinc/07/26/41/950072641.db2.gz LHOAWEWSZPJWCO-IDKOKCKLSA-N -1 1 384.366 1.552 20 0 GDADMM CC1(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)nn3)CCC2)CC(F)(F)C1 ZINC001575576623 950077382 /nfs/dbraw/zinc/07/73/82/950077382.db2.gz SFNMDOSYUAMKIY-UHFFFAOYSA-N -1 1 378.387 1.543 20 0 GDADMM CC1(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)nn3)CCC2)CC(F)(F)C1 ZINC001575576623 950077397 /nfs/dbraw/zinc/07/73/97/950077397.db2.gz SFNMDOSYUAMKIY-UHFFFAOYSA-N -1 1 378.387 1.543 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ncc[nH]1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574732989 950088023 /nfs/dbraw/zinc/08/80/23/950088023.db2.gz ORBNZUQPVFICEQ-ZETCQYMHSA-N -1 1 381.853 1.201 20 0 GDADMM C[C@@H]1CCN(C(=O)C2CC(F)(F)C2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576183589 950091695 /nfs/dbraw/zinc/09/16/95/950091695.db2.gz QHHBABHQWLZPGN-ZYHUDNBSSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H]1CCN(C(=O)C2CC(F)(F)C2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576183589 950091714 /nfs/dbraw/zinc/09/17/14/950091714.db2.gz QHHBABHQWLZPGN-ZYHUDNBSSA-N -1 1 392.414 1.599 20 0 GDADMM CCCc1cc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])no1 ZINC001589689192 950105639 /nfs/dbraw/zinc/10/56/39/950105639.db2.gz SQDBCURJUWPLKD-ONGXEEELSA-N -1 1 377.319 1.363 20 0 GDADMM C[C@H](CNC(=O)C[C@H](C)c1ccncc1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574492895 950109604 /nfs/dbraw/zinc/10/96/04/950109604.db2.gz DNXHTNHWFFPGOG-QWHCGFSZSA-N -1 1 381.444 1.186 20 0 GDADMM C[C@H](CNC(=O)C[C@H](C)c1ccncc1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574492895 950109617 /nfs/dbraw/zinc/10/96/17/950109617.db2.gz DNXHTNHWFFPGOG-QWHCGFSZSA-N -1 1 381.444 1.186 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001574493298 950122649 /nfs/dbraw/zinc/12/26/49/950122649.db2.gz RZQCQWIQLXTQPP-ZIAGYGMSSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001574493298 950122668 /nfs/dbraw/zinc/12/26/68/950122668.db2.gz RZQCQWIQLXTQPP-ZIAGYGMSSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H]1CCN(C(=O)CCC(F)F)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576184696 950138430 /nfs/dbraw/zinc/13/84/30/950138430.db2.gz XGKMCAIKRYVGKA-QWRGUYRKSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H]1CCN(C(=O)CCC(F)F)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576184696 950138444 /nfs/dbraw/zinc/13/84/44/950138444.db2.gz XGKMCAIKRYVGKA-QWRGUYRKSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H]1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576190373 950158906 /nfs/dbraw/zinc/15/89/06/950158906.db2.gz AOEPOSDBBOCQJK-NIFZNCRKSA-N -1 1 382.472 1.599 20 0 GDADMM C[C@@H]1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576190373 950158918 /nfs/dbraw/zinc/15/89/18/950158918.db2.gz AOEPOSDBBOCQJK-NIFZNCRKSA-N -1 1 382.472 1.599 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC001574494299 950162297 /nfs/dbraw/zinc/16/22/97/950162297.db2.gz JWAJKOJQYCTWMP-ZIAGYGMSSA-N -1 1 380.456 1.791 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC001574494299 950162315 /nfs/dbraw/zinc/16/23/15/950162315.db2.gz JWAJKOJQYCTWMP-ZIAGYGMSSA-N -1 1 380.456 1.791 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H]1CCCOCC1 ZINC001574154092 950165897 /nfs/dbraw/zinc/16/58/97/950165897.db2.gz BDRZSEGGHHOGJZ-UONOGXRCSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H]1CCCOCC1 ZINC001574154092 950165911 /nfs/dbraw/zinc/16/59/11/950165911.db2.gz BDRZSEGGHHOGJZ-UONOGXRCSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](CO)Nc1cnc(-c2nnn[n-]2)cn1)CC(C)(C)C ZINC001574494966 950194450 /nfs/dbraw/zinc/19/44/50/950194450.db2.gz QQDDBRRJIGIGEW-NWDGAFQWSA-N -1 1 376.465 1.008 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](CO)Nc1cnc(-c2nn[n-]n2)cn1)CC(C)(C)C ZINC001574494966 950194458 /nfs/dbraw/zinc/19/44/58/950194458.db2.gz QQDDBRRJIGIGEW-NWDGAFQWSA-N -1 1 376.465 1.008 20 0 GDADMM CC1(C(=O)NC[C@@H]2CCCCN2c2ccc(-c3nnn[n-]3)nn2)CC(F)(F)C1 ZINC001575585463 950194698 /nfs/dbraw/zinc/19/46/98/950194698.db2.gz ZUEVJRNFWTVVOW-NSHDSACASA-N -1 1 392.414 1.567 20 0 GDADMM CC1(C(=O)NC[C@@H]2CCCCN2c2ccc(-c3nn[n-]n3)nn2)CC(F)(F)C1 ZINC001575585463 950194707 /nfs/dbraw/zinc/19/47/07/950194707.db2.gz ZUEVJRNFWTVVOW-NSHDSACASA-N -1 1 392.414 1.567 20 0 GDADMM CC1(C(=O)NC[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CC(F)(F)C1 ZINC001575585650 950204911 /nfs/dbraw/zinc/20/49/11/950204911.db2.gz BTVZMKDZQXXVHN-JTQLQIEISA-N -1 1 378.387 1.035 20 0 GDADMM CC1(C(=O)NC[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CC(F)(F)C1 ZINC001575585650 950204924 /nfs/dbraw/zinc/20/49/24/950204924.db2.gz BTVZMKDZQXXVHN-JTQLQIEISA-N -1 1 378.387 1.035 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C1CC(F)(F)C1 ZINC001574155692 950208440 /nfs/dbraw/zinc/20/84/40/950208440.db2.gz QILJJDPRPKFZLV-LLVKDONJSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C1CC(F)(F)C1 ZINC001574155692 950208460 /nfs/dbraw/zinc/20/84/60/950208460.db2.gz QILJJDPRPKFZLV-LLVKDONJSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@H](CNC(=O)C[C@H](C)c1ccncc1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574496086 950211202 /nfs/dbraw/zinc/21/12/02/950211202.db2.gz VHSHMULDZPNONL-QWHCGFSZSA-N -1 1 381.444 1.186 20 0 GDADMM C[C@H](CNC(=O)C[C@H](C)c1ccncc1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574496086 950211224 /nfs/dbraw/zinc/21/12/24/950211224.db2.gz VHSHMULDZPNONL-QWHCGFSZSA-N -1 1 381.444 1.186 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1)n1cccc1 ZINC001574496507 950216087 /nfs/dbraw/zinc/21/60/87/950216087.db2.gz XDIGGZJDLFYTFH-GXTWGEPZSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1)n1cccc1 ZINC001574496507 950216104 /nfs/dbraw/zinc/21/61/04/950216104.db2.gz XDIGGZJDLFYTFH-GXTWGEPZSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cccs2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576192088 950224132 /nfs/dbraw/zinc/22/41/32/950224132.db2.gz LPIUPPRBRUWILT-NEPJUHHUSA-N -1 1 384.469 1.929 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cccs2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576192088 950224148 /nfs/dbraw/zinc/22/41/48/950224148.db2.gz LPIUPPRBRUWILT-NEPJUHHUSA-N -1 1 384.469 1.929 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2ncccc2[O-])CCCN1c1ncccc1-c1nn[nH]n1 ZINC001575901240 950225099 /nfs/dbraw/zinc/22/50/99/950225099.db2.gz MPLXZEWVWDOFBZ-WCQYABFASA-N -1 1 380.412 1.150 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1)C1CCCCC1 ZINC001574497685 950238097 /nfs/dbraw/zinc/23/80/97/950238097.db2.gz AZRFXHKNLWGHJI-OCCSQVGLSA-N -1 1 388.476 1.152 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1)C1CCCCC1 ZINC001574497685 950238115 /nfs/dbraw/zinc/23/81/15/950238115.db2.gz AZRFXHKNLWGHJI-OCCSQVGLSA-N -1 1 388.476 1.152 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccns2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576192576 950253171 /nfs/dbraw/zinc/25/31/71/950253171.db2.gz NRYBITCTGVHTNM-WDEREUQCSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccns2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576192576 950253189 /nfs/dbraw/zinc/25/31/89/950253189.db2.gz NRYBITCTGVHTNM-WDEREUQCSA-N -1 1 385.457 1.324 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CC[C@H]1CCOC1 ZINC001574157901 950257511 /nfs/dbraw/zinc/25/75/11/950257511.db2.gz KVRQORJAUIUOHM-UONOGXRCSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CC[C@H]1CCOC1 ZINC001574157901 950257532 /nfs/dbraw/zinc/25/75/32/950257532.db2.gz KVRQORJAUIUOHM-UONOGXRCSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573847070 950261416 /nfs/dbraw/zinc/26/14/16/950261416.db2.gz ZDGMGNRYZZBRII-MELADBBJSA-N -1 1 384.488 1.554 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ncccc1O ZINC001574158836 950289376 /nfs/dbraw/zinc/28/93/76/950289376.db2.gz CQYMQCFIDSWLLB-NSHDSACASA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[nH]n2)n1)NC(=O)c1ncccc1[O-] ZINC001574158836 950289388 /nfs/dbraw/zinc/28/93/88/950289388.db2.gz CQYMQCFIDSWLLB-NSHDSACASA-N -1 1 383.416 1.014 20 0 GDADMM C[C@@H]1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576193486 950302535 /nfs/dbraw/zinc/30/25/35/950302535.db2.gz VIWYVUMKAIHNLI-MRLBHPIUSA-N -1 1 382.472 1.599 20 0 GDADMM C[C@@H]1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576193486 950302547 /nfs/dbraw/zinc/30/25/47/950302547.db2.gz VIWYVUMKAIHNLI-MRLBHPIUSA-N -1 1 382.472 1.599 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C1(C(F)F)CC1 ZINC001574160139 950329513 /nfs/dbraw/zinc/32/95/13/950329513.db2.gz LQJOLLWVZFKXOZ-JTQLQIEISA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C1(C(F)F)CC1 ZINC001574160139 950329535 /nfs/dbraw/zinc/32/95/35/950329535.db2.gz LQJOLLWVZFKXOZ-JTQLQIEISA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)[C@@H](F)C1 ZINC001573853713 950332583 /nfs/dbraw/zinc/33/25/83/950332583.db2.gz UBWBIPGUSVZAFN-NWDGAFQWSA-N -1 1 391.407 1.339 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H](F)C1 ZINC001573853713 950332604 /nfs/dbraw/zinc/33/26/04/950332604.db2.gz UBWBIPGUSVZAFN-NWDGAFQWSA-N -1 1 391.407 1.339 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C1CC(F)(F)C1 ZINC001574161324 950357438 /nfs/dbraw/zinc/35/74/38/950357438.db2.gz SZRHYABLJWAAHZ-LLVKDONJSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C1CC(F)(F)C1 ZINC001574161324 950357459 /nfs/dbraw/zinc/35/74/59/950357459.db2.gz SZRHYABLJWAAHZ-LLVKDONJSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cc(Cl)no1 ZINC001574161765 950364041 /nfs/dbraw/zinc/36/40/41/950364041.db2.gz WUSAZFJRVVKPTI-VIFPVBQESA-N -1 1 391.823 1.555 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cc(Cl)no1 ZINC001574161765 950364066 /nfs/dbraw/zinc/36/40/66/950364066.db2.gz WUSAZFJRVVKPTI-VIFPVBQESA-N -1 1 391.823 1.555 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573855243 950364525 /nfs/dbraw/zinc/36/45/25/950364525.db2.gz MVPGARSTNCKUEY-XDQVBPFNSA-N -1 1 384.488 1.458 20 0 GDADMM CC1(C(=O)NC[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CC(F)(F)C1 ZINC001575596408 950378795 /nfs/dbraw/zinc/37/87/95/950378795.db2.gz DTCYMEPOWOXBNH-MGCOHNPYSA-N -1 1 378.387 1.399 20 0 GDADMM CC1(C(=O)NC[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CC(F)(F)C1 ZINC001575596408 950378816 /nfs/dbraw/zinc/37/88/16/950378816.db2.gz DTCYMEPOWOXBNH-MGCOHNPYSA-N -1 1 378.387 1.399 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1)C(F)(F)F ZINC001574502656 950387574 /nfs/dbraw/zinc/38/75/74/950387574.db2.gz PDCUVDMRGGGZTR-UWVGGRQHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1)C(F)(F)F ZINC001574502656 950387596 /nfs/dbraw/zinc/38/75/96/950387596.db2.gz PDCUVDMRGGGZTR-UWVGGRQHSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(C)OC(=O)N1CCO[C@](C)(CNC(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001573856696 950396058 /nfs/dbraw/zinc/39/60/58/950396058.db2.gz GOXRSWNNENWSGC-QGZVFWFLSA-N -1 1 392.416 1.216 20 0 GDADMM CC(C)(C)OC(=O)N1CCO[C@](C)(CNC(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001573856696 950396079 /nfs/dbraw/zinc/39/60/79/950396079.db2.gz GOXRSWNNENWSGC-QGZVFWFLSA-N -1 1 392.416 1.216 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H](C)C(F)(F)F ZINC001574162704 950397252 /nfs/dbraw/zinc/39/72/52/950397252.db2.gz HIMRWXNRWHFGGX-NXEZZACHSA-N -1 1 386.382 1.798 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H](C)C(F)(F)F ZINC001574162704 950397274 /nfs/dbraw/zinc/39/72/74/950397274.db2.gz HIMRWXNRWHFGGX-NXEZZACHSA-N -1 1 386.382 1.798 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)Cc1cncs1 ZINC001574163152 950418425 /nfs/dbraw/zinc/41/84/25/950418425.db2.gz QERQQCCKICILER-NSHDSACASA-N -1 1 387.473 1.299 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)Cc1cncs1 ZINC001574163152 950418442 /nfs/dbraw/zinc/41/84/42/950418442.db2.gz QERQQCCKICILER-NSHDSACASA-N -1 1 387.473 1.299 20 0 GDADMM C[C@@]1(C(=O)N[C@@H]2CCCC[C@H]2Nc2ccc(-c3nnn[n-]3)nn2)CCCOC1 ZINC001575600063 950435381 /nfs/dbraw/zinc/43/53/81/950435381.db2.gz PKUWUJBKNKRWFO-SNUQEOBHSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@]1(C(=O)N[C@@H]2CCCC[C@H]2Nc2ccc(-c3nn[n-]n3)nn2)CCCOC1 ZINC001575600063 950435398 /nfs/dbraw/zinc/43/53/98/950435398.db2.gz PKUWUJBKNKRWFO-SNUQEOBHSA-N -1 1 386.460 1.313 20 0 GDADMM CC1(C(=O)NCc2ccc3c(c2)CN(c2ccnc(-c4nn[n-]n4)n2)C3)CCC1 ZINC001575600045 950438479 /nfs/dbraw/zinc/43/84/79/950438479.db2.gz PBIIKJNMYFIXBF-UHFFFAOYSA-N -1 1 390.451 1.983 20 0 GDADMM CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001573861126 950441093 /nfs/dbraw/zinc/44/10/93/950441093.db2.gz UWFYIKVQYJGKQN-SGTLLEGYSA-N -1 1 386.460 1.788 20 0 GDADMM CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001573861126 950441103 /nfs/dbraw/zinc/44/11/03/950441103.db2.gz UWFYIKVQYJGKQN-SGTLLEGYSA-N -1 1 386.460 1.788 20 0 GDADMM CC(C)CC1(C(=O)NC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CCC1 ZINC001574165807 950454319 /nfs/dbraw/zinc/45/43/19/950454319.db2.gz JBPOXWYDGWQDIS-AWEZNQCLSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)CC1(C(=O)NC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CCC1 ZINC001574165807 950454331 /nfs/dbraw/zinc/45/43/31/950454331.db2.gz JBPOXWYDGWQDIS-AWEZNQCLSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](CC(=O)N[C@@H](C)CNc1nccnc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001574508113 950468934 /nfs/dbraw/zinc/46/89/34/950468934.db2.gz MPLTXOSMFCZCBE-NEPJUHHUSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H](CC(=O)N[C@@H](C)CNc1nccnc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001574508113 950468952 /nfs/dbraw/zinc/46/89/52/950468952.db2.gz MPLTXOSMFCZCBE-NEPJUHHUSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H](CC(=O)NCC[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001574508672 950482320 /nfs/dbraw/zinc/48/23/20/950482320.db2.gz LSQDVWSZEADMQX-KGLIPLIRSA-N -1 1 380.456 1.579 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)[C@H]1CCCO1 ZINC001574508491 950483611 /nfs/dbraw/zinc/48/36/11/950483611.db2.gz PBNHXAYOUJOWIG-PWNZVWSESA-N -1 1 386.460 1.169 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)[C@H]1CCCO1 ZINC001574508491 950483627 /nfs/dbraw/zinc/48/36/27/950483627.db2.gz PBNHXAYOUJOWIG-PWNZVWSESA-N -1 1 386.460 1.169 20 0 GDADMM C[C@@H](CC(=O)NCCN(C)c1cncc(-c2nnn[n-]2)n1)c1ccc(F)cc1 ZINC001574509037 950496517 /nfs/dbraw/zinc/49/65/17/950496517.db2.gz OJNIYYLJWZWULT-LBPRGKRZSA-N -1 1 384.419 1.542 20 0 GDADMM C[C@@H](CC(=O)NCCN(C)c1cncc(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC001574509037 950496531 /nfs/dbraw/zinc/49/65/31/950496531.db2.gz OJNIYYLJWZWULT-LBPRGKRZSA-N -1 1 384.419 1.542 20 0 GDADMM C[C@]1(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CCc2ccccc21 ZINC001575608222 950510833 /nfs/dbraw/zinc/51/08/33/950510833.db2.gz OOOKHEXSDUEFFA-MNVSYLFESA-N -1 1 390.451 1.620 20 0 GDADMM C[C@]1(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CCc2ccccc21 ZINC001575608222 950510846 /nfs/dbraw/zinc/51/08/46/950510846.db2.gz OOOKHEXSDUEFFA-MNVSYLFESA-N -1 1 390.451 1.620 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1cccs1 ZINC001575915801 950519715 /nfs/dbraw/zinc/51/97/15/950519715.db2.gz ORZHDJPPAACUKU-AAEUAGOBSA-N -1 1 384.469 1.752 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCc1cccs1 ZINC001575915801 950519734 /nfs/dbraw/zinc/51/97/34/950519734.db2.gz ORZHDJPPAACUKU-AAEUAGOBSA-N -1 1 384.469 1.752 20 0 GDADMM CC(C)(C)OCC(=O)N1CCCC[C@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001573867131 950524134 /nfs/dbraw/zinc/52/41/34/950524134.db2.gz PXVABBZWVCKDLF-ZDUSSCGKSA-N -1 1 388.476 1.655 20 0 GDADMM CC(C)(C)OCC(=O)N1CCCC[C@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001573867131 950524147 /nfs/dbraw/zinc/52/41/47/950524147.db2.gz PXVABBZWVCKDLF-ZDUSSCGKSA-N -1 1 388.476 1.655 20 0 GDADMM C[C@@H](NC(=O)C[C@H](C)C1CC1)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574511062 950552027 /nfs/dbraw/zinc/55/20/27/950552027.db2.gz FMDRIPHFXMRDGY-QWHCGFSZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)ccc1F)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574998882 950563015 /nfs/dbraw/zinc/56/30/15/950563015.db2.gz BXUTUQFZCKRWMF-SECBINFHSA-N -1 1 390.810 1.349 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc(Cl)s1)Nc1nccnc1-c1nnn[n-]1 ZINC001574754114 950565803 /nfs/dbraw/zinc/56/58/03/950565803.db2.gz YBBCWNGCGCDTJN-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc(Cl)s1)Nc1nccnc1-c1nn[n-]n1 ZINC001574754114 950565814 /nfs/dbraw/zinc/56/58/14/950565814.db2.gz YBBCWNGCGCDTJN-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001574511946 950579349 /nfs/dbraw/zinc/57/93/49/950579349.db2.gz XJLJNCMWQNEEIH-DZGCQCFKSA-N -1 1 378.440 1.545 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574511946 950579360 /nfs/dbraw/zinc/57/93/60/950579360.db2.gz XJLJNCMWQNEEIH-DZGCQCFKSA-N -1 1 378.440 1.545 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C)c1ccccc1 ZINC001574511996 950581675 /nfs/dbraw/zinc/58/16/75/950581675.db2.gz ZBQPEWWEGRTEGJ-CKEIUWERSA-N -1 1 392.467 1.791 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C)c1ccccc1 ZINC001574511996 950581692 /nfs/dbraw/zinc/58/16/92/950581692.db2.gz ZBQPEWWEGRTEGJ-CKEIUWERSA-N -1 1 392.467 1.791 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@@H](C)c1ccccc1F ZINC001574512821 950584713 /nfs/dbraw/zinc/58/47/13/950584713.db2.gz DFIUHQHOBUGWEO-VXGBXAGGSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@@H](C)c1ccccc1F ZINC001574512821 950584726 /nfs/dbraw/zinc/58/47/26/950584726.db2.gz DFIUHQHOBUGWEO-VXGBXAGGSA-N -1 1 384.419 1.906 20 0 GDADMM CC(C)CCC(=O)N1CCC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CC[C@H]21 ZINC001574173015 950589708 /nfs/dbraw/zinc/58/97/08/950589708.db2.gz DRHMGCMSOQPFAB-GOEBONIOSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CCC(=O)N1CCC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CC[C@H]21 ZINC001574173015 950589719 /nfs/dbraw/zinc/58/97/19/950589719.db2.gz DRHMGCMSOQPFAB-GOEBONIOSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](CNC(=O)c1cc2c(s1)CCC2)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575000061 950595496 /nfs/dbraw/zinc/59/54/96/950595496.db2.gz ADEYIYQWBMZDCD-SNVBAGLBSA-N -1 1 384.469 1.462 20 0 GDADMM CC1(C)C(C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1(C)C ZINC001575618554 950614450 /nfs/dbraw/zinc/61/44/50/950614450.db2.gz KBOUKDHGRVBVNL-GFCCVEGCSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C(C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1(C)C ZINC001575618554 950614464 /nfs/dbraw/zinc/61/44/64/950614464.db2.gz KBOUKDHGRVBVNL-GFCCVEGCSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ccccc1 ZINC001574515663 950627594 /nfs/dbraw/zinc/62/75/94/950627594.db2.gz DDVGVXLJFCVUFU-BPLDGKMQSA-N -1 1 378.440 1.910 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ccccc1 ZINC001574515663 950627606 /nfs/dbraw/zinc/62/76/06/950627606.db2.gz DDVGVXLJFCVUFU-BPLDGKMQSA-N -1 1 378.440 1.910 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)c(F)c(F)c1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575001527 950636151 /nfs/dbraw/zinc/63/61/51/950636151.db2.gz MMVHNEXWQTZCGK-QMMMGPOBSA-N -1 1 392.345 1.329 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)c(F)c(F)c1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575001527 950636164 /nfs/dbraw/zinc/63/61/64/950636164.db2.gz MMVHNEXWQTZCGK-QMMMGPOBSA-N -1 1 392.345 1.329 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574759384 950637817 /nfs/dbraw/zinc/63/78/17/950637817.db2.gz CANUBPZBFICWGA-NSHDSACASA-N -1 1 384.448 1.086 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574759384 950637830 /nfs/dbraw/zinc/63/78/30/950637830.db2.gz CANUBPZBFICWGA-NSHDSACASA-N -1 1 384.448 1.086 20 0 GDADMM CC1(C)[C@H](NC(=O)CCCF)[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)[C@H]21 ZINC001575622324 950640710 /nfs/dbraw/zinc/64/07/10/950640710.db2.gz CKYXJUQHGRRPPW-IUIKQTSFSA-N -1 1 388.451 1.516 20 0 GDADMM CC1(C)[C@H](NC(=O)CCCF)[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)[C@H]21 ZINC001575622324 950640723 /nfs/dbraw/zinc/64/07/23/950640723.db2.gz CKYXJUQHGRRPPW-IUIKQTSFSA-N -1 1 388.451 1.516 20 0 GDADMM CC(C)n1cccc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@H]1C ZINC001575922136 950647317 /nfs/dbraw/zinc/64/73/17/950647317.db2.gz OUFRFVYSZUCTCI-OLZOCXBDSA-N -1 1 381.444 1.176 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)c(Cl)[nH]1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575002020 950650337 /nfs/dbraw/zinc/65/03/37/950650337.db2.gz YNUVFARRDUUJRB-ZCFIWIBFSA-N -1 1 382.215 1.522 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)c(Cl)[nH]1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575002020 950650347 /nfs/dbraw/zinc/65/03/47/950650347.db2.gz YNUVFARRDUUJRB-ZCFIWIBFSA-N -1 1 382.215 1.522 20 0 GDADMM CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2cc(C(=O)[O-])n[nH]2)CC1 ZINC001589744410 950652593 /nfs/dbraw/zinc/65/25/93/950652593.db2.gz OKUGFUXQBSBWLF-LBPRGKRZSA-N -1 1 389.431 1.880 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001574518369 950654500 /nfs/dbraw/zinc/65/45/00/950654500.db2.gz OGZMIMSJJQZHNO-IHRRRGAJSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574518369 950654509 /nfs/dbraw/zinc/65/45/09/950654509.db2.gz OGZMIMSJJQZHNO-IHRRRGAJSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](CNC(=O)c1cc2c([nH]1)CCCC2)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575002604 950663334 /nfs/dbraw/zinc/66/33/34/950663334.db2.gz VWLRYPGXYXZZGK-NSHDSACASA-N -1 1 381.444 1.118 20 0 GDADMM C[C@@H](CNC(=O)c1cc2c([nH]1)CCCC2)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575002604 950663347 /nfs/dbraw/zinc/66/33/47/950663347.db2.gz VWLRYPGXYXZZGK-NSHDSACASA-N -1 1 381.444 1.118 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccncc1Cl ZINC001575924013 950667897 /nfs/dbraw/zinc/66/78/97/950667897.db2.gz RHKGXBAERXEFMK-SKDRFNHKSA-N -1 1 385.819 1.420 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccncc1Cl ZINC001575924013 950667921 /nfs/dbraw/zinc/66/79/21/950667921.db2.gz RHKGXBAERXEFMK-SKDRFNHKSA-N -1 1 385.819 1.420 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cccnn1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574760553 950667865 /nfs/dbraw/zinc/66/78/65/950667865.db2.gz WXKROEJOQMDBAY-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cccnn1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574760553 950667885 /nfs/dbraw/zinc/66/78/85/950667885.db2.gz WXKROEJOQMDBAY-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CNC(=O)c1cc[nH]c(=O)c1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001575005385 950682724 /nfs/dbraw/zinc/68/27/24/950682724.db2.gz CRBPNFLTGCGJSV-ZCFIWIBFSA-N -1 1 380.821 1.308 20 0 GDADMM C[C@H](CNC(=O)c1cc[nH]c(=O)c1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575005385 950682732 /nfs/dbraw/zinc/68/27/32/950682732.db2.gz CRBPNFLTGCGJSV-ZCFIWIBFSA-N -1 1 380.821 1.308 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001573877856 950695735 /nfs/dbraw/zinc/69/57/35/950695735.db2.gz IAXZUNJDJVZLEU-KYEXWDHISA-N -1 1 382.472 1.376 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001573877856 950695749 /nfs/dbraw/zinc/69/57/49/950695749.db2.gz IAXZUNJDJVZLEU-KYEXWDHISA-N -1 1 382.472 1.376 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ncc(Cl)s1 ZINC001575926521 950715853 /nfs/dbraw/zinc/71/58/53/950715853.db2.gz XMTLOBCUMPWHLH-HTQZYQBOSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ncc(Cl)s1 ZINC001575926521 950715868 /nfs/dbraw/zinc/71/58/68/950715868.db2.gz XMTLOBCUMPWHLH-HTQZYQBOSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H](CNC(=O)c1cc2cc(F)ccc2o1)Nc1nccnc1-c1nnn[n-]1 ZINC001575006084 950717085 /nfs/dbraw/zinc/71/70/85/950717085.db2.gz RRHBUXWOJAVMBK-SECBINFHSA-N -1 1 382.359 1.772 20 0 GDADMM C[C@H](CNC(=O)c1cc2cc(F)ccc2o1)Nc1nccnc1-c1nn[n-]n1 ZINC001575006084 950717104 /nfs/dbraw/zinc/71/71/04/950717104.db2.gz RRHBUXWOJAVMBK-SECBINFHSA-N -1 1 382.359 1.772 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1occ2c1CCC2 ZINC001575926767 950721808 /nfs/dbraw/zinc/72/18/08/950721808.db2.gz LQBNFLALLGYNEC-GXFFZTMASA-N -1 1 380.412 1.454 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1occ2c1CCC2 ZINC001575926767 950721825 /nfs/dbraw/zinc/72/18/25/950721825.db2.gz LQBNFLALLGYNEC-GXFFZTMASA-N -1 1 380.412 1.454 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1coc(C(F)F)c1 ZINC001575926915 950727344 /nfs/dbraw/zinc/72/73/44/950727344.db2.gz MVGJKLOVJGMHDS-PSASIEDQSA-N -1 1 390.354 1.902 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1coc(C(F)F)c1 ZINC001575926915 950727353 /nfs/dbraw/zinc/72/73/53/950727353.db2.gz MVGJKLOVJGMHDS-PSASIEDQSA-N -1 1 390.354 1.902 20 0 GDADMM CC1(C)CC(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)CC2(C)C)C1 ZINC001575629327 950736315 /nfs/dbraw/zinc/73/63/15/950736315.db2.gz MIMDEDHIYNZCBV-CYBMUJFWSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)CC(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)CC2(C)C)C1 ZINC001575629327 950736331 /nfs/dbraw/zinc/73/63/31/950736331.db2.gz MIMDEDHIYNZCBV-CYBMUJFWSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)C(C)(C)C2(C)C)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576216612 950740851 /nfs/dbraw/zinc/74/08/51/950740851.db2.gz DYYWDKDKQVQRCJ-YPMHNXCESA-N -1 1 384.488 1.988 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)C(C)(C)C2(C)C)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576216612 950740867 /nfs/dbraw/zinc/74/08/67/950740867.db2.gz DYYWDKDKQVQRCJ-YPMHNXCESA-N -1 1 384.488 1.988 20 0 GDADMM CC(C)(C)c1cc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)nc2ncnn21 ZINC001573880382 950745349 /nfs/dbraw/zinc/74/53/49/950745349.db2.gz YCEWZUARUSLMBB-UHFFFAOYSA-N -1 1 383.441 1.593 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cncc(Cl)c1 ZINC001575927644 950748556 /nfs/dbraw/zinc/74/85/56/950748556.db2.gz RFDXGPRSJWTLQD-SKDRFNHKSA-N -1 1 385.819 1.420 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cncc(Cl)c1 ZINC001575927644 950748575 /nfs/dbraw/zinc/74/85/75/950748575.db2.gz RFDXGPRSJWTLQD-SKDRFNHKSA-N -1 1 385.819 1.420 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576216998 950749506 /nfs/dbraw/zinc/74/95/06/950749506.db2.gz FTCYAXFOXWCVTP-ONGXEEELSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576216998 950749525 /nfs/dbraw/zinc/74/95/25/950749525.db2.gz FTCYAXFOXWCVTP-ONGXEEELSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CCCC2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576217058 950755108 /nfs/dbraw/zinc/75/51/08/950755108.db2.gz GLQICZQJFUIDHQ-ZYHUDNBSSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CCCC2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576217058 950755117 /nfs/dbraw/zinc/75/51/17/950755117.db2.gz GLQICZQJFUIDHQ-ZYHUDNBSSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C(C)(F)F)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576217387 950760823 /nfs/dbraw/zinc/76/08/23/950760823.db2.gz NIVBONPYMGPUGI-KOLCDFICSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C(C)(F)F)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576217387 950760839 /nfs/dbraw/zinc/76/08/39/950760839.db2.gz NIVBONPYMGPUGI-KOLCDFICSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@@H](CN(C)C(=O)c1coc(CC2CC2)n1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574764960 950768699 /nfs/dbraw/zinc/76/86/99/950768699.db2.gz APXIQMANBMVGEP-JTQLQIEISA-N -1 1 383.416 1.170 20 0 GDADMM C[C@@H](CN(C)C(=O)c1coc(CC2CC2)n1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574764960 950768709 /nfs/dbraw/zinc/76/87/09/950768709.db2.gz APXIQMANBMVGEP-JTQLQIEISA-N -1 1 383.416 1.170 20 0 GDADMM CC1(C)CC(C(=O)N[C@H]2CC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001575631195 950770869 /nfs/dbraw/zinc/77/08/69/950770869.db2.gz LEDHWTONFQOODA-MQMHXKEQSA-N -1 1 384.488 1.602 20 0 GDADMM CC(C)(C)c1nc(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)co1 ZINC001573884127 950786804 /nfs/dbraw/zinc/78/68/04/950786804.db2.gz JGXXVRKKWZXCCW-SNVBAGLBSA-N -1 1 383.416 1.269 20 0 GDADMM CC(C)(C)c1nc(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)co1 ZINC001573884127 950786814 /nfs/dbraw/zinc/78/68/14/950786814.db2.gz JGXXVRKKWZXCCW-SNVBAGLBSA-N -1 1 383.416 1.269 20 0 GDADMM CC(C)CCC(=O)N[C@@H]1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)C[C@H]1O ZINC001574184978 950787052 /nfs/dbraw/zinc/78/70/52/950787052.db2.gz QDZRVEBMHNLTQC-RKDXNWHRSA-N -1 1 385.881 1.079 20 0 GDADMM C[C@@H]1[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCN1C(=O)c1cnccn1 ZINC001575930156 950792351 /nfs/dbraw/zinc/79/23/51/950792351.db2.gz DTGUVDWTTYVBQP-HTQZYQBOSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C(C)(F)F)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576218789 950795527 /nfs/dbraw/zinc/79/55/27/950795527.db2.gz RPABEUZJPWQUKY-NXEZZACHSA-N -1 1 380.403 1.019 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576219497 950805483 /nfs/dbraw/zinc/80/54/83/950805483.db2.gz OBKGSJFCTQKOEY-MNOVXSKESA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576219497 950805503 /nfs/dbraw/zinc/80/55/03/950805503.db2.gz OBKGSJFCTQKOEY-MNOVXSKESA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576219133 950805669 /nfs/dbraw/zinc/80/56/69/950805669.db2.gz NLEIHEBMFDDYJU-GHMZBOCLSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576219133 950805692 /nfs/dbraw/zinc/80/56/92/950805692.db2.gz NLEIHEBMFDDYJU-GHMZBOCLSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H]1[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)CCN1C(=O)c1cnccn1 ZINC001575931883 950810839 /nfs/dbraw/zinc/81/08/39/950810839.db2.gz JIAAMAAYGQCWRG-HTQZYQBOSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCN1C(=O)c1cnccn1 ZINC001575931883 950810852 /nfs/dbraw/zinc/81/08/52/950810852.db2.gz JIAAMAAYGQCWRG-HTQZYQBOSA-N -1 1 391.848 1.482 20 0 GDADMM CC1(C)CC(CC(=O)NC[C@@H]2[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)C1 ZINC001575633312 950815112 /nfs/dbraw/zinc/81/51/12/950815112.db2.gz SCURARFKEBJIMR-ZSOGYDGISA-N -1 1 382.472 1.281 20 0 GDADMM CC1(C)CC(CC(=O)NC[C@@H]2[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)C1 ZINC001575633312 950815133 /nfs/dbraw/zinc/81/51/33/950815133.db2.gz SCURARFKEBJIMR-ZSOGYDGISA-N -1 1 382.472 1.281 20 0 GDADMM CC1(C)CC(CC(=O)N2CCO[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001575633696 950815692 /nfs/dbraw/zinc/81/56/92/950815692.db2.gz UCDJUDMUBLZSJD-ZDUSSCGKSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CC(CC(=O)N2CCO[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001575633696 950815714 /nfs/dbraw/zinc/81/57/14/950815714.db2.gz UCDJUDMUBLZSJD-ZDUSSCGKSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cccc2c1CCC2 ZINC001575932251 950822008 /nfs/dbraw/zinc/82/20/08/950822008.db2.gz LBWMXBWYJXESOR-WBMJQRKESA-N -1 1 390.451 1.861 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cccc2c1CCC2 ZINC001575932251 950822035 /nfs/dbraw/zinc/82/20/35/950822035.db2.gz LBWMXBWYJXESOR-WBMJQRKESA-N -1 1 390.451 1.861 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576220583 950836851 /nfs/dbraw/zinc/83/68/51/950836851.db2.gz RPNFCBNEJSUSOX-QWRGUYRKSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576220583 950836875 /nfs/dbraw/zinc/83/68/75/950836875.db2.gz RPNFCBNEJSUSOX-QWRGUYRKSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H](CN(C)C(=O)c1csc(C2CC2)n1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574767351 950845574 /nfs/dbraw/zinc/84/55/74/950845574.db2.gz QUERBFWVLZKDTR-SECBINFHSA-N -1 1 385.457 1.563 20 0 GDADMM C[C@H](CN(C)C(=O)c1csc(C2CC2)n1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574767351 950845595 /nfs/dbraw/zinc/84/55/95/950845595.db2.gz QUERBFWVLZKDTR-SECBINFHSA-N -1 1 385.457 1.563 20 0 GDADMM C[C@H](CN(C)C(=O)c1onc2c1CCCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574767803 950869982 /nfs/dbraw/zinc/86/99/82/950869982.db2.gz QQHJVYPNOBHHBZ-SNVBAGLBSA-N -1 1 383.416 1.096 20 0 GDADMM C[C@H](CN(C)C(=O)c1onc2c1CCCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574767803 950869992 /nfs/dbraw/zinc/86/99/92/950869992.db2.gz QQHJVYPNOBHHBZ-SNVBAGLBSA-N -1 1 383.416 1.096 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ocnc1C(F)F)Nc1nccnc1-c1nnn[n-]1 ZINC001574767755 950870469 /nfs/dbraw/zinc/87/04/69/950870469.db2.gz QEYJBWGGCKJMJH-ZETCQYMHSA-N -1 1 379.331 1.155 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ocnc1C(F)F)Nc1nccnc1-c1nn[n-]n1 ZINC001574767755 950870490 /nfs/dbraw/zinc/87/04/90/950870490.db2.gz QEYJBWGGCKJMJH-ZETCQYMHSA-N -1 1 379.331 1.155 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cccc2c1OCC2 ZINC001575935136 950872098 /nfs/dbraw/zinc/87/20/98/950872098.db2.gz VNSOAXZTLWOWKZ-FZMZJTMJSA-N -1 1 392.423 1.307 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cccc2c1OCC2 ZINC001575935136 950872113 /nfs/dbraw/zinc/87/21/13/950872113.db2.gz VNSOAXZTLWOWKZ-FZMZJTMJSA-N -1 1 392.423 1.307 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCCn1cccc1 ZINC001575935586 950886583 /nfs/dbraw/zinc/88/65/83/950886583.db2.gz YGIZEIHPQGLFDU-KGLIPLIRSA-N -1 1 381.444 1.340 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCCn1cccc1 ZINC001575935586 950886594 /nfs/dbraw/zinc/88/65/94/950886594.db2.gz YGIZEIHPQGLFDU-KGLIPLIRSA-N -1 1 381.444 1.340 20 0 GDADMM CC(C)c1scnc1C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574768293 950887396 /nfs/dbraw/zinc/88/73/96/950887396.db2.gz TVUUMJMGTJCVAE-JTQLQIEISA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)c1scnc1C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574768293 950887408 /nfs/dbraw/zinc/88/74/08/950887408.db2.gz TVUUMJMGTJCVAE-JTQLQIEISA-N -1 1 387.473 1.809 20 0 GDADMM C[C@H]1CN(C(=O)C2(CF)CCC2)CC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576226837 950893225 /nfs/dbraw/zinc/89/32/25/950893225.db2.gz AZZAJMUWEDDDFF-QWHCGFSZSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@H]1CN(C(=O)C2(CF)CCC2)CC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576226837 950893242 /nfs/dbraw/zinc/89/32/42/950893242.db2.gz AZZAJMUWEDDDFF-QWHCGFSZSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@H]1[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCN1C(=O)c1ccncn1 ZINC001575935760 950893751 /nfs/dbraw/zinc/89/37/51/950893751.db2.gz BEFLJJTZWATARE-YUMQZZPRSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCN1C(=O)c1ccncn1 ZINC001575935760 950893768 /nfs/dbraw/zinc/89/37/68/950893768.db2.gz BEFLJJTZWATARE-YUMQZZPRSA-N -1 1 391.848 1.482 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N1CCC[C@@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001575641613 950925225 /nfs/dbraw/zinc/92/52/25/950925225.db2.gz CKLIQTPQFCVWBF-YJYMSZOUSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N1CCC[C@@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001575641613 950925248 /nfs/dbraw/zinc/92/52/48/950925248.db2.gz CKLIQTPQFCVWBF-YJYMSZOUSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cccc2c1OCC2 ZINC001575936771 950927934 /nfs/dbraw/zinc/92/79/34/950927934.db2.gz IBRBZJBYVYJMKW-RISCZKNCSA-N -1 1 392.423 1.307 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cccc2c1OCC2 ZINC001575936771 950927956 /nfs/dbraw/zinc/92/79/56/950927956.db2.gz IBRBZJBYVYJMKW-RISCZKNCSA-N -1 1 392.423 1.307 20 0 GDADMM CC(C)CCCC(=O)N[C@]12CCC[C@H]1CN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001574192201 950931854 /nfs/dbraw/zinc/93/18/54/950931854.db2.gz KWOHGBORZPLPKP-LIRRHRJNSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CCCC(=O)N[C@]12CCC[C@H]1CN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001574192201 950931862 /nfs/dbraw/zinc/93/18/62/950931862.db2.gz KWOHGBORZPLPKP-LIRRHRJNSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(CC(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)CC(F)F ZINC001573896635 950948569 /nfs/dbraw/zinc/94/85/69/950948569.db2.gz JCDWUFIIGUHZCA-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)(CC(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)CC(F)F ZINC001573896635 950948588 /nfs/dbraw/zinc/94/85/88/950948588.db2.gz JCDWUFIIGUHZCA-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C1CC1 ZINC001573896652 950952130 /nfs/dbraw/zinc/95/21/30/950952130.db2.gz JHYCICJVVHVZBN-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C1CC1 ZINC001573896652 950952141 /nfs/dbraw/zinc/95/21/41/950952141.db2.gz JHYCICJVVHVZBN-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc(C2CC2)no1 ZINC001575938465 950980674 /nfs/dbraw/zinc/98/06/74/950980674.db2.gz NVSSNVMAGYEDMZ-GXSJLCMTSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc(C2CC2)no1 ZINC001575938465 950980691 /nfs/dbraw/zinc/98/06/91/950980691.db2.gz NVSSNVMAGYEDMZ-GXSJLCMTSA-N -1 1 381.400 1.237 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573900189 951000355 /nfs/dbraw/zinc/00/03/55/951000355.db2.gz UDEBRDZLPMDJNH-UHFFFAOYSA-N -1 1 384.366 1.696 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573900189 951000375 /nfs/dbraw/zinc/00/03/75/951000375.db2.gz UDEBRDZLPMDJNH-UHFFFAOYSA-N -1 1 384.366 1.696 20 0 GDADMM C[C@H]1CN(C(=O)C2(CCF)CC2)CC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576230480 951009846 /nfs/dbraw/zinc/00/98/46/951009846.db2.gz MJGZPQVVBFZKQZ-QWHCGFSZSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@H]1CN(C(=O)C2(CCF)CC2)CC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576230480 951009862 /nfs/dbraw/zinc/00/98/62/951009862.db2.gz MJGZPQVVBFZKQZ-QWHCGFSZSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)F)nc1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575018139 951014398 /nfs/dbraw/zinc/01/43/98/951014398.db2.gz LGPVOJLNJAVUNN-SECBINFHSA-N -1 1 389.370 1.467 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)F)nc1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575018139 951014409 /nfs/dbraw/zinc/01/44/09/951014409.db2.gz LGPVOJLNJAVUNN-SECBINFHSA-N -1 1 389.370 1.467 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)F)o1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575019038 951031632 /nfs/dbraw/zinc/03/16/32/951031632.db2.gz PVMRFPUUPPQPIV-QMMMGPOBSA-N -1 1 378.343 1.665 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)F)o1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575019038 951031647 /nfs/dbraw/zinc/03/16/47/951031647.db2.gz PVMRFPUUPPQPIV-QMMMGPOBSA-N -1 1 378.343 1.665 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)c(Cl)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575022113 951069321 /nfs/dbraw/zinc/06/93/21/951069321.db2.gz HLEIMIIUFMEDSD-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)c(Cl)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575022113 951069337 /nfs/dbraw/zinc/06/93/37/951069337.db2.gz HLEIMIIUFMEDSD-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)s1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575023784 951083045 /nfs/dbraw/zinc/08/30/45/951083045.db2.gz PMMJIEMFLBQGAY-MRVPVSSYSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)s1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575023784 951083051 /nfs/dbraw/zinc/08/30/51/951083051.db2.gz PMMJIEMFLBQGAY-MRVPVSSYSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)c(C(F)F)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575023757 951083513 /nfs/dbraw/zinc/08/35/13/951083513.db2.gz PGEUCDHMDZBFTN-QMMMGPOBSA-N -1 1 392.345 1.386 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)cc1F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575024110 951093327 /nfs/dbraw/zinc/09/33/27/951093327.db2.gz VIRHLSCHZCNIAP-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)cc1F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575024110 951093336 /nfs/dbraw/zinc/09/33/36/951093336.db2.gz VIRHLSCHZCNIAP-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(N(C)C)cc1)CNc1nccnc1-c1nnn[n-]1 ZINC001575024887 951118196 /nfs/dbraw/zinc/11/81/96/951118196.db2.gz OXDOKFIROSEHHD-GFCCVEGCSA-N -1 1 381.444 1.201 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(N(C)C)cc1)CNc1nccnc1-c1nn[n-]n1 ZINC001575024887 951118202 /nfs/dbraw/zinc/11/82/02/951118202.db2.gz OXDOKFIROSEHHD-GFCCVEGCSA-N -1 1 381.444 1.201 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCCC2)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575025121 951125076 /nfs/dbraw/zinc/12/50/76/951125076.db2.gz VLAQIHNMTDXCDJ-CYBMUJFWSA-N -1 1 392.467 1.790 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCCC2)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575025121 951125082 /nfs/dbraw/zinc/12/50/82/951125082.db2.gz VLAQIHNMTDXCDJ-CYBMUJFWSA-N -1 1 392.467 1.790 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(Cl)c1F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575025825 951132740 /nfs/dbraw/zinc/13/27/40/951132740.db2.gz BJQLUEFXDLKMOP-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(Cl)c1F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575025825 951132747 /nfs/dbraw/zinc/13/27/47/951132747.db2.gz BJQLUEFXDLKMOP-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM CCOC(=O)c1sc(NC(=O)CN(CCO)CC2CC2)c(C(=O)[O-])c1C ZINC001591425943 951136317 /nfs/dbraw/zinc/13/63/17/951136317.db2.gz KKUCNPYRINHUII-UHFFFAOYSA-N -1 1 384.454 1.574 20 0 GDADMM CCOC(=O)c1sc(NC(=O)CN[C@@H]2C[C@H](O)C23CCC3)c(C(=O)[O-])c1C ZINC001591466558 951145555 /nfs/dbraw/zinc/14/55/55/951145555.db2.gz IMIACSFCEYLFGQ-MNOVXSKESA-N -1 1 396.465 1.763 20 0 GDADMM CCOC(=O)c1sc(NC(=O)CN[C@@H]2C[C@@H](O)C23CCC3)c(C(=O)[O-])c1C ZINC001591466557 951145770 /nfs/dbraw/zinc/14/57/70/951145770.db2.gz IMIACSFCEYLFGQ-GHMZBOCLSA-N -1 1 396.465 1.763 20 0 GDADMM C[C@H](CNC(=O)c1ccc2ncsc2c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575026736 951147428 /nfs/dbraw/zinc/14/74/28/951147428.db2.gz MSVNLJQPACFVDU-SECBINFHSA-N -1 1 381.425 1.497 20 0 GDADMM C[C@H](CNC(=O)c1ccc2ncsc2c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575026736 951147437 /nfs/dbraw/zinc/14/74/37/951147437.db2.gz MSVNLJQPACFVDU-SECBINFHSA-N -1 1 381.425 1.497 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(Cl)c1F)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575026963 951149748 /nfs/dbraw/zinc/14/97/48/951149748.db2.gz OOSLTVACOOEPLY-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(Cl)c1F)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575026963 951149757 /nfs/dbraw/zinc/14/97/57/951149757.db2.gz OOSLTVACOOEPLY-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2ccncc2c1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575027067 951152142 /nfs/dbraw/zinc/15/21/42/951152142.db2.gz PBCDAOFXQJNCNX-LBPRGKRZSA-N -1 1 389.423 1.460 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2ccncc2c1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575027067 951152153 /nfs/dbraw/zinc/15/21/53/951152153.db2.gz PBCDAOFXQJNCNX-LBPRGKRZSA-N -1 1 389.423 1.460 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2ncccc21)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575027935 951162616 /nfs/dbraw/zinc/16/26/16/951162616.db2.gz JFJIKXKAVCEGSL-LBPRGKRZSA-N -1 1 389.423 1.460 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2ncccc21)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575027935 951162623 /nfs/dbraw/zinc/16/26/23/951162623.db2.gz JFJIKXKAVCEGSL-LBPRGKRZSA-N -1 1 389.423 1.460 20 0 GDADMM C[C@H](CNC(=O)c1cccc(N(C)C)c1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575027694 951163554 /nfs/dbraw/zinc/16/35/54/951163554.db2.gz HYRBBCXERRTLSN-LBPRGKRZSA-N -1 1 381.444 1.201 20 0 GDADMM C[C@H](CNC(=O)c1cccc(N(C)C)c1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575027694 951163558 /nfs/dbraw/zinc/16/35/58/951163558.db2.gz HYRBBCXERRTLSN-LBPRGKRZSA-N -1 1 381.444 1.201 20 0 GDADMM C[C@H](CNC(=O)c1cccc2[nH]ccc21)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575028566 951176647 /nfs/dbraw/zinc/17/66/47/951176647.db2.gz OHUWNNGRDFEFAC-LLVKDONJSA-N -1 1 377.412 1.393 20 0 GDADMM C[C@H](CNC(=O)c1cccc2[nH]ccc21)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575028566 951176654 /nfs/dbraw/zinc/17/66/54/951176654.db2.gz OHUWNNGRDFEFAC-LLVKDONJSA-N -1 1 377.412 1.393 20 0 GDADMM C[C@H](CNC(=O)c1cccc(F)c1Cl)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575028616 951177940 /nfs/dbraw/zinc/17/79/40/951177940.db2.gz OSXSTOKTLDCCON-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1cccc2c1O[C@@H](C)C2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575030159 951195051 /nfs/dbraw/zinc/19/50/51/951195051.db2.gz ZXWDEFSYMLLEGL-MNOVXSKESA-N -1 1 380.412 1.211 20 0 GDADMM C[C@H](CNC(=O)c1cccc2c1O[C@@H](C)C2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575030159 951195057 /nfs/dbraw/zinc/19/50/57/951195057.db2.gz ZXWDEFSYMLLEGL-MNOVXSKESA-N -1 1 380.412 1.211 20 0 GDADMM C[C@H](CNC(=O)c1ccccn1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575032207 951218955 /nfs/dbraw/zinc/21/89/55/951218955.db2.gz UBORJOGRFSKLBH-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@H](CNC(=O)c1ccccn1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575032207 951218967 /nfs/dbraw/zinc/21/89/67/951218967.db2.gz UBORJOGRFSKLBH-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@H](CNC(=O)c1ccnc2ccncc21)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575034883 951261208 /nfs/dbraw/zinc/26/12/08/951261208.db2.gz PYSQEVCWLWQVCB-NSHDSACASA-N -1 1 390.411 1.078 20 0 GDADMM C[C@H](CNC(=O)c1ccnc2ccncc21)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575034883 951261215 /nfs/dbraw/zinc/26/12/15/951261215.db2.gz PYSQEVCWLWQVCB-NSHDSACASA-N -1 1 390.411 1.078 20 0 GDADMM O=C([O-])CC[C@@H]1CCCN(C(=O)c2n[nH]cc2I)C1 ZINC001595019680 951316008 /nfs/dbraw/zinc/31/60/08/951316008.db2.gz ZXWYVBXUNKDSIP-QMMMGPOBSA-N -1 1 377.182 1.731 20 0 GDADMM C[C@@H](CNC(=O)c1ccsc1Cl)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575039705 951335013 /nfs/dbraw/zinc/33/50/13/951335013.db2.gz SADCTCXSDUZPML-MRVPVSSYSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@@H](CNC(=O)c1ccsc1Cl)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575039705 951335023 /nfs/dbraw/zinc/33/50/23/951335023.db2.gz SADCTCXSDUZPML-MRVPVSSYSA-N -1 1 378.849 1.850 20 0 GDADMM CCOc1ccc(NC(=O)CN2C[C@H](C(=O)[O-])C3(CC(C(=O)OC)C3)C2)cc1 ZINC001592691558 951350597 /nfs/dbraw/zinc/35/05/97/951350597.db2.gz MFMIGTOULOPTOK-WGAFOPHPSA-N -1 1 390.436 1.610 20 0 GDADMM C[C@H](CNC(=O)c1cnc(C2CC2)s1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575044353 951413289 /nfs/dbraw/zinc/41/32/89/951413289.db2.gz RJZWSHOVQASKLD-SECBINFHSA-N -1 1 385.457 1.245 20 0 GDADMM C[C@H](CNC(=O)c1cnc(C2CC2)s1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575044353 951413296 /nfs/dbraw/zinc/41/32/96/951413296.db2.gz RJZWSHOVQASKLD-SECBINFHSA-N -1 1 385.457 1.245 20 0 GDADMM C[C@H](CNC(=O)c1cnc(C2CC2)s1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575044843 951420012 /nfs/dbraw/zinc/42/00/12/951420012.db2.gz VXOQFLLLTBFRLV-VIFPVBQESA-N -1 1 385.457 1.469 20 0 GDADMM C[C@H](CNC(=O)c1cnc(C2CC2)s1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575044843 951420024 /nfs/dbraw/zinc/42/00/24/951420024.db2.gz VXOQFLLLTBFRLV-VIFPVBQESA-N -1 1 385.457 1.469 20 0 GDADMM C[C@@H](CNC(=O)c1cnccn1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575045777 951432754 /nfs/dbraw/zinc/43/27/54/951432754.db2.gz HLBFHPPMOMUWKQ-ZETCQYMHSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@@H](CNC(=O)c1cncs1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001575054160 951486193 /nfs/dbraw/zinc/48/61/93/951486193.db2.gz WSGMTNLNTIJGCA-LURJTMIESA-N -1 1 384.878 1.688 20 0 GDADMM C[C@@H](CNC(=O)c1cncs1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001575054160 951486198 /nfs/dbraw/zinc/48/61/98/951486198.db2.gz WSGMTNLNTIJGCA-LURJTMIESA-N -1 1 384.878 1.688 20 0 GDADMM C[C@H](CNC(=O)c1csnn1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575061600 951558176 /nfs/dbraw/zinc/55/81/76/951558176.db2.gz NVPMVQLTPWCMNS-RXMQYKEDSA-N -1 1 385.866 1.306 20 0 GDADMM C[C@H](CNC(=O)c1csnn1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575061600 951558181 /nfs/dbraw/zinc/55/81/81/951558181.db2.gz NVPMVQLTPWCMNS-RXMQYKEDSA-N -1 1 385.866 1.306 20 0 GDADMM C[C@H](CNC(=O)c1sccc1Cl)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575069293 951642583 /nfs/dbraw/zinc/64/25/83/951642583.db2.gz HRZBFNLXCIYVLP-QMMMGPOBSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@H](CNC(=O)c1sccc1Cl)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575069293 951642588 /nfs/dbraw/zinc/64/25/88/951642588.db2.gz HRZBFNLXCIYVLP-QMMMGPOBSA-N -1 1 378.849 1.850 20 0 GDADMM O=C([O-])CN1CC[C@H](N[C@@H](CCO)c2cccc(OC(F)(F)F)c2)C1=O ZINC001595079766 951669301 /nfs/dbraw/zinc/66/93/01/951669301.db2.gz RNVXYUYLQSIIRX-STQMWFEESA-N -1 1 376.331 1.284 20 0 GDADMM O=C([O-])CN1CCCC[C@H](NC(=O)c2ccc(Nc3ccncc3)cc2)C1=O ZINC001595094863 951806346 /nfs/dbraw/zinc/80/63/46/951806346.db2.gz XOBWBHBZOSREFC-KRWDZBQOSA-N -1 1 382.420 1.443 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)Cc1cccc(Cl)c1 ZINC001575132461 952092283 /nfs/dbraw/zinc/09/22/83/952092283.db2.gz FKHOQBYAOWQDRQ-NSHDSACASA-N -1 1 386.847 1.812 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)Cc1cccc(Cl)c1 ZINC001575132461 952092293 /nfs/dbraw/zinc/09/22/93/952092293.db2.gz FKHOQBYAOWQDRQ-NSHDSACASA-N -1 1 386.847 1.812 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ncoc1C(C)(C)C ZINC001575135172 952116268 /nfs/dbraw/zinc/11/62/68/952116268.db2.gz KMGCKOLUQZDUBA-SNVBAGLBSA-N -1 1 385.432 1.515 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ncoc1C(C)(C)C ZINC001575135172 952116277 /nfs/dbraw/zinc/11/62/77/952116277.db2.gz KMGCKOLUQZDUBA-SNVBAGLBSA-N -1 1 385.432 1.515 20 0 GDADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)c1sccc1F)C1CC1 ZINC001575136778 952127108 /nfs/dbraw/zinc/12/71/08/952127108.db2.gz WRGBTUOWGBPYBZ-MRXNPFEDSA-N -1 1 388.432 1.868 20 0 GDADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)c1sccc1F)C1CC1 ZINC001575136778 952127116 /nfs/dbraw/zinc/12/71/16/952127116.db2.gz WRGBTUOWGBPYBZ-MRXNPFEDSA-N -1 1 388.432 1.868 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C1(Cc2ccccc2)CC1 ZINC001575142083 952145130 /nfs/dbraw/zinc/14/51/30/952145130.db2.gz IJFHEJFTPLOZHH-CQSZACIVSA-N -1 1 392.467 1.360 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C12CCC(CC1)C2(C)C ZINC001575141568 952145673 /nfs/dbraw/zinc/14/56/73/952145673.db2.gz IEPUIJSEZCNQOA-GLIABKTBSA-N -1 1 384.488 1.554 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C(C)(C)c1ccccc1 ZINC001575142106 952146440 /nfs/dbraw/zinc/14/64/40/952146440.db2.gz IVLPCYHUJDXQOG-ZDUSSCGKSA-N -1 1 380.456 1.315 20 0 GDADMM O=C([O-])[C@@H](Cc1ccccc1)NCC(=O)N1CCN(c2ccccc2F)CC1 ZINC001595159632 952189383 /nfs/dbraw/zinc/18/93/83/952189383.db2.gz XUZMUGURBLDCDX-GOSISDBHSA-N -1 1 385.439 1.760 20 0 GDADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)c1ccoc1Cl)C1CC1 ZINC001575153621 952212043 /nfs/dbraw/zinc/21/20/43/952212043.db2.gz IVTVGKMOMOCYDQ-INIZCTEOSA-N -1 1 388.819 1.914 20 0 GDADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)c1ccoc1Cl)C1CC1 ZINC001575153621 952212049 /nfs/dbraw/zinc/21/20/49/952212049.db2.gz IVTVGKMOMOCYDQ-INIZCTEOSA-N -1 1 388.819 1.914 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ccc(C(F)F)o1 ZINC001575154270 952219841 /nfs/dbraw/zinc/21/98/41/952219841.db2.gz AGRZPISIFVATQP-MRVPVSSYSA-N -1 1 378.343 1.760 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ccc(C(F)F)o1 ZINC001575154270 952219850 /nfs/dbraw/zinc/21/98/50/952219850.db2.gz AGRZPISIFVATQP-MRVPVSSYSA-N -1 1 378.343 1.760 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@]1(C)CCc2ccccc21 ZINC001575154394 952222399 /nfs/dbraw/zinc/22/23/99/952222399.db2.gz RJLVGSXLNPWDOS-ZUOKHONESA-N -1 1 392.467 1.820 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@]1(C)CCc2ccccc21 ZINC001575154394 952222405 /nfs/dbraw/zinc/22/24/05/952222405.db2.gz RJLVGSXLNPWDOS-ZUOKHONESA-N -1 1 392.467 1.820 20 0 GDADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)[C@@H]1Cc2ccccc21)C1CC1 ZINC001575156210 952249211 /nfs/dbraw/zinc/24/92/11/952249211.db2.gz QVNRNORRAGUSHP-FOIQADDNSA-N -1 1 390.451 1.693 20 0 GDADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)[C@@H]1Cc2ccccc21)C1CC1 ZINC001575156210 952249217 /nfs/dbraw/zinc/24/92/17/952249217.db2.gz QVNRNORRAGUSHP-FOIQADDNSA-N -1 1 390.451 1.693 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575157815 952268231 /nfs/dbraw/zinc/26/82/31/952268231.db2.gz POARGKCHYHIXGG-KGLIPLIRSA-N -1 1 380.456 1.794 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575157815 952268237 /nfs/dbraw/zinc/26/82/37/952268237.db2.gz POARGKCHYHIXGG-KGLIPLIRSA-N -1 1 380.456 1.794 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1coc(CC2CC2)n1 ZINC001575158341 952271783 /nfs/dbraw/zinc/27/17/83/952271783.db2.gz TUSKHDVUHQBCIE-JTQLQIEISA-N -1 1 383.416 1.170 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1coc(CC2CC2)n1 ZINC001575158341 952271794 /nfs/dbraw/zinc/27/17/94/952271794.db2.gz TUSKHDVUHQBCIE-JTQLQIEISA-N -1 1 383.416 1.170 20 0 GDADMM O=C([O-])[C@@]12COC[C@@H]1CN(Cc1cn(-c3ccccc3Br)nn1)C2 ZINC001595192602 952291849 /nfs/dbraw/zinc/29/18/49/952291849.db2.gz RVHPQMXMAIPWDI-ZBEGNZNMSA-N -1 1 393.241 1.563 20 0 GDADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)COCC1CC1 ZINC001575164506 952293525 /nfs/dbraw/zinc/29/35/25/952293525.db2.gz DZNIYNNKBZRJRZ-QMMMGPOBSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)[C@@H]1CCCOC1 ZINC001575166301 952324062 /nfs/dbraw/zinc/32/40/62/952324062.db2.gz VCAZTEFFDXGXCY-DTWKUNHWSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)[C@H]1CCC(F)(F)C1)C1CC1 ZINC001575174081 952363693 /nfs/dbraw/zinc/36/36/93/952363693.db2.gz GRYSVRZXTPAUHV-MGPLVRAMSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)[C@H]1CCC(F)(F)C1)C1CC1 ZINC001575174081 952363700 /nfs/dbraw/zinc/36/37/00/952363700.db2.gz GRYSVRZXTPAUHV-MGPLVRAMSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)C(C)(C)c1ccccc1 ZINC001575174487 952372947 /nfs/dbraw/zinc/37/29/47/952372947.db2.gz PJSVZNHVNAVAAD-ZDUSSCGKSA-N -1 1 380.456 1.893 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)C(C)(C)c1ccccc1 ZINC001575174487 952372954 /nfs/dbraw/zinc/37/29/54/952372954.db2.gz PJSVZNHVNAVAAD-ZDUSSCGKSA-N -1 1 380.456 1.893 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)CN(C)c1ccccc1 ZINC001575174782 952380639 /nfs/dbraw/zinc/38/06/39/952380639.db2.gz SSVKMIBLYSBOPP-CYBMUJFWSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)CN(C)c1ccccc1 ZINC001575174782 952380643 /nfs/dbraw/zinc/38/06/43/952380643.db2.gz SSVKMIBLYSBOPP-CYBMUJFWSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1COc2ccccc21 ZINC001575174947 952381640 /nfs/dbraw/zinc/38/16/40/952381640.db2.gz UQKXBFOMNZJIAO-WCQYABFASA-N -1 1 380.412 1.092 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1COc2ccccc21 ZINC001575174947 952381648 /nfs/dbraw/zinc/38/16/48/952381648.db2.gz UQKXBFOMNZJIAO-WCQYABFASA-N -1 1 380.412 1.092 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)C1(c2ccccc2)CC1 ZINC001575175189 952383650 /nfs/dbraw/zinc/38/36/50/952383650.db2.gz VRNZMGOINHKPTC-ZDUSSCGKSA-N -1 1 378.440 1.647 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)C1(c2ccccc2)CC1 ZINC001575175189 952383654 /nfs/dbraw/zinc/38/36/54/952383654.db2.gz VRNZMGOINHKPTC-ZDUSSCGKSA-N -1 1 378.440 1.647 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)c1cncnc1 ZINC001575177223 952398762 /nfs/dbraw/zinc/39/87/62/952398762.db2.gz HKPYTPRUUBIUIZ-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)c1cncnc1 ZINC001575177223 952398769 /nfs/dbraw/zinc/39/87/69/952398769.db2.gz HKPYTPRUUBIUIZ-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1scnc1C1CC1 ZINC001575180248 952416611 /nfs/dbraw/zinc/41/66/11/952416611.db2.gz UMOTZIGXJFYYDS-VIFPVBQESA-N -1 1 385.457 1.563 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1scnc1C1CC1 ZINC001575180248 952416617 /nfs/dbraw/zinc/41/66/17/952416617.db2.gz UMOTZIGXJFYYDS-VIFPVBQESA-N -1 1 385.457 1.563 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)c1ccnn1C ZINC001575180552 952418433 /nfs/dbraw/zinc/41/84/33/952418433.db2.gz VWPDFIFPWYEOOY-ZETCQYMHSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)c1ccnn1C ZINC001575180552 952418435 /nfs/dbraw/zinc/41/84/35/952418435.db2.gz VWPDFIFPWYEOOY-ZETCQYMHSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@H](Cc1cccc(F)c1)C(=O)NCCCNc1nccnc1-c1nnn[n-]1 ZINC001575187976 952445327 /nfs/dbraw/zinc/44/53/27/952445327.db2.gz GCUWLTNHUGTCFL-GFCCVEGCSA-N -1 1 384.419 1.593 20 0 GDADMM C[C@H](Cc1cccc(F)c1)C(=O)NCCCNc1nccnc1-c1nn[n-]n1 ZINC001575187976 952445332 /nfs/dbraw/zinc/44/53/32/952445332.db2.gz GCUWLTNHUGTCFL-GFCCVEGCSA-N -1 1 384.419 1.593 20 0 GDADMM O=C(c1coc(-c2nnn[n-]2)c1)N1CCc2nccc(Br)c2C1 ZINC001571115188 952464262 /nfs/dbraw/zinc/46/42/62/952464262.db2.gz RNQMPXMBXAFKAN-UHFFFAOYSA-N -1 1 375.186 1.816 20 0 GDADMM O=C(c1coc(-c2nn[n-]n2)c1)N1CCc2nccc(Br)c2C1 ZINC001571115188 952464264 /nfs/dbraw/zinc/46/42/64/952464264.db2.gz RNQMPXMBXAFKAN-UHFFFAOYSA-N -1 1 375.186 1.816 20 0 GDADMM C[C@@H](Cc1ccccc1F)C(=O)NCCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575190963 952465202 /nfs/dbraw/zinc/46/52/02/952465202.db2.gz VOIYPDXGACICES-LBPRGKRZSA-N -1 1 384.419 1.227 20 0 GDADMM C[C@@H](Cc1ccccc1F)C(=O)NCCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575190963 952465206 /nfs/dbraw/zinc/46/52/06/952465206.db2.gz VOIYPDXGACICES-LBPRGKRZSA-N -1 1 384.419 1.227 20 0 GDADMM C[C@H](Cc1cccc(F)c1)C(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575191109 952466523 /nfs/dbraw/zinc/46/65/23/952466523.db2.gz XBOAIMOCKCDMHC-GFCCVEGCSA-N -1 1 384.419 1.227 20 0 GDADMM C[C@H](Cc1cccc(F)c1)C(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575191109 952466525 /nfs/dbraw/zinc/46/65/25/952466525.db2.gz XBOAIMOCKCDMHC-GFCCVEGCSA-N -1 1 384.419 1.227 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@H](Nc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001575195378 952471737 /nfs/dbraw/zinc/47/17/37/952471737.db2.gz AOUITRLONNXECR-FZMZJTMJSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@H](Nc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001575195378 952471746 /nfs/dbraw/zinc/47/17/46/952471746.db2.gz AOUITRLONNXECR-FZMZJTMJSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCC1 ZINC001575196817 952476991 /nfs/dbraw/zinc/47/69/91/952476991.db2.gz JKNYDQGDVDAHKV-LBPRGKRZSA-N -1 1 382.428 1.001 20 0 GDADMM Cc1nsc(N[C@H]2CCC[C@@H](NC(=O)c3cnon3)C2)c1-c1nn[n-]n1 ZINC001571117703 952483293 /nfs/dbraw/zinc/48/32/93/952483293.db2.gz ONAYRZYYOXOPJO-BDAKNGLRSA-N -1 1 375.418 1.168 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575197428 952484729 /nfs/dbraw/zinc/48/47/29/952484729.db2.gz VQPGNFJIABZBFG-OLZOCXBDSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575197428 952484734 /nfs/dbraw/zinc/48/47/34/952484734.db2.gz VQPGNFJIABZBFG-OLZOCXBDSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CCCC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575197737 952487071 /nfs/dbraw/zinc/48/70/71/952487071.db2.gz ZCGGRRMUAMUTED-BPLDGKMQSA-N -1 1 396.455 1.968 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CCCC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575197737 952487076 /nfs/dbraw/zinc/48/70/76/952487076.db2.gz ZCGGRRMUAMUTED-BPLDGKMQSA-N -1 1 396.455 1.968 20 0 GDADMM CCc1ccc(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)cc1 ZINC001571120081 952499338 /nfs/dbraw/zinc/49/93/38/952499338.db2.gz JAZIFKUEFVLOLV-HALDLXJZSA-N -1 1 376.424 1.084 20 0 GDADMM CCc1ccc(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]32)cc1 ZINC001571120081 952499345 /nfs/dbraw/zinc/49/93/45/952499345.db2.gz JAZIFKUEFVLOLV-HALDLXJZSA-N -1 1 376.424 1.084 20 0 GDADMM CS[C@@H](C)C(=O)N1CCC[C@@H]1CN(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001571124020 952534078 /nfs/dbraw/zinc/53/40/78/952534078.db2.gz XFCANKZKBMWIDO-NWDGAFQWSA-N -1 1 376.490 1.144 20 0 GDADMM CS[C@@H](C)C(=O)N1CCC[C@@H]1CN(C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001571124020 952534080 /nfs/dbraw/zinc/53/40/80/952534080.db2.gz XFCANKZKBMWIDO-NWDGAFQWSA-N -1 1 376.490 1.144 20 0 GDADMM O=C(Cc1cccc(N2CCCC2=O)c1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001571124302 952536222 /nfs/dbraw/zinc/53/62/22/952536222.db2.gz FAKZGOUYVZNIDO-UHFFFAOYSA-N -1 1 377.408 1.247 20 0 GDADMM O=C(Cc1cccc(N2CCCC2=O)c1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001571124302 952536228 /nfs/dbraw/zinc/53/62/28/952536228.db2.gz FAKZGOUYVZNIDO-UHFFFAOYSA-N -1 1 377.408 1.247 20 0 GDADMM Cc1nsc(NC[C@H]2CCCN(C(=O)[C@H]3CCCO3)C2)c1-c1nn[n-]n1 ZINC001571127382 952553979 /nfs/dbraw/zinc/55/39/79/952553979.db2.gz FXFYCSXAWDWMLN-VXGBXAGGSA-N -1 1 377.474 1.461 20 0 GDADMM CO[C@H]1CCC[C@H]1C(=O)N1CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001571127320 952554152 /nfs/dbraw/zinc/55/41/52/952554152.db2.gz CWQICCVOKAAVFD-NEPJUHHUSA-N -1 1 377.474 1.095 20 0 GDADMM O=C(c1cncnc1)N1CC[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571127548 952556556 /nfs/dbraw/zinc/55/65/56/952556556.db2.gz HPHCLUWOAWVDFH-QMMMGPOBSA-N -1 1 377.821 1.093 20 0 GDADMM O=C(c1cncnc1)N1CC[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571127548 952556560 /nfs/dbraw/zinc/55/65/60/952556560.db2.gz HPHCLUWOAWVDFH-QMMMGPOBSA-N -1 1 377.821 1.093 20 0 GDADMM Cc1nsc(N[C@]2(CO)CCCN(C(=O)C3(C)CC3)C2)c1-c1nn[n-]n1 ZINC001571127618 952557565 /nfs/dbraw/zinc/55/75/65/952557565.db2.gz JYWPAVGUTDAFAR-MRXNPFEDSA-N -1 1 377.474 1.197 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@H](Nc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001575213601 952558863 /nfs/dbraw/zinc/55/88/63/952558863.db2.gz BWAJJOJJYBNKJK-JTQLQIEISA-N -1 1 380.403 1.645 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@H](Nc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001575213601 952558865 /nfs/dbraw/zinc/55/88/65/952558865.db2.gz BWAJJOJJYBNKJK-JTQLQIEISA-N -1 1 380.403 1.645 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCC1 ZINC001575214096 952561560 /nfs/dbraw/zinc/56/15/60/952561560.db2.gz HEOYUWJZERHBAK-UHFFFAOYSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCC1 ZINC001575214096 952561563 /nfs/dbraw/zinc/56/15/63/952561563.db2.gz HEOYUWJZERHBAK-UHFFFAOYSA-N -1 1 380.403 1.789 20 0 GDADMM O=C(CSCC(=O)c1ccc(Cl)cc1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001571128376 952566179 /nfs/dbraw/zinc/56/61/79/952566179.db2.gz RVGZVBGNOMUEIB-UHFFFAOYSA-N -1 1 377.817 1.798 20 0 GDADMM O=C(CSCC(=O)c1ccc(Cl)cc1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001571128376 952566180 /nfs/dbraw/zinc/56/61/80/952566180.db2.gz RVGZVBGNOMUEIB-UHFFFAOYSA-N -1 1 377.817 1.798 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575214680 952566218 /nfs/dbraw/zinc/56/62/18/952566218.db2.gz NXBSTWONFOHCDP-UHFFFAOYSA-N -1 1 380.403 1.163 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1)c1cnccn1 ZINC001571128603 952568810 /nfs/dbraw/zinc/56/88/10/952568810.db2.gz VCVAMDKGUTYXDB-KNVOCYPGSA-N -1 1 377.821 1.140 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@H]2CCCCN2c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001575221645 952570564 /nfs/dbraw/zinc/57/05/64/952570564.db2.gz AKWIHSODVQYILX-LLVKDONJSA-N -1 1 392.414 1.567 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@H]2CCCCN2c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001575221645 952570567 /nfs/dbraw/zinc/57/05/67/952570567.db2.gz AKWIHSODVQYILX-LLVKDONJSA-N -1 1 392.414 1.567 20 0 GDADMM C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C(F)F)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571130034 952578476 /nfs/dbraw/zinc/57/84/76/952578476.db2.gz NKGFTTZCRSNUPB-ZNSHCXBVSA-N -1 1 378.387 1.064 20 0 GDADMM C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C(F)F)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571130034 952578479 /nfs/dbraw/zinc/57/84/79/952578479.db2.gz NKGFTTZCRSNUPB-ZNSHCXBVSA-N -1 1 378.387 1.064 20 0 GDADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC001571130149 952578972 /nfs/dbraw/zinc/57/89/72/952578972.db2.gz OUKKZKHVOTUWTF-UONOGXRCSA-N -1 1 378.392 1.453 20 0 GDADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC001571130149 952578975 /nfs/dbraw/zinc/57/89/75/952578975.db2.gz OUKKZKHVOTUWTF-UONOGXRCSA-N -1 1 378.392 1.453 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3CCN(C(=O)CC(C)(F)F)[C@@H]3C2)n1 ZINC001571130534 952580839 /nfs/dbraw/zinc/58/08/39/952580839.db2.gz SLWIMBQKOFGYSC-CMPLNLGQSA-N -1 1 378.387 1.048 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3CCN(C(=O)CC(C)(F)F)[C@@H]3C2)n1 ZINC001571130534 952580842 /nfs/dbraw/zinc/58/08/42/952580842.db2.gz SLWIMBQKOFGYSC-CMPLNLGQSA-N -1 1 378.387 1.048 20 0 GDADMM O=C(NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)[C@H]1CCC(F)(F)C1 ZINC001571130892 952582318 /nfs/dbraw/zinc/58/23/18/952582318.db2.gz XUWIXESGDVFABF-MNOVXSKESA-N -1 1 378.387 1.035 20 0 GDADMM O=C(NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)[C@H]1CCC(F)(F)C1 ZINC001571130892 952582323 /nfs/dbraw/zinc/58/23/23/952582323.db2.gz XUWIXESGDVFABF-MNOVXSKESA-N -1 1 378.387 1.035 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2CC(F)(F)C2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001571130763 952582450 /nfs/dbraw/zinc/58/24/50/952582450.db2.gz WXRYJQNSYNDSJJ-ONGXEEELSA-N -1 1 378.387 1.176 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2CC(F)(F)C2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001571130763 952582454 /nfs/dbraw/zinc/58/24/54/952582454.db2.gz WXRYJQNSYNDSJJ-ONGXEEELSA-N -1 1 378.387 1.176 20 0 GDADMM O=C([C@@H]1CCC(F)(F)C1)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571130954 952583611 /nfs/dbraw/zinc/58/36/11/952583611.db2.gz ZZBHQLJBIOTNOO-LLVKDONJSA-N -1 1 378.387 1.131 20 0 GDADMM O=C([C@@H]1CCC(F)(F)C1)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571130954 952583618 /nfs/dbraw/zinc/58/36/18/952583618.db2.gz ZZBHQLJBIOTNOO-LLVKDONJSA-N -1 1 378.387 1.131 20 0 GDADMM Cc1ccccc1[C@H](C)C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571134301 952588353 /nfs/dbraw/zinc/58/83/53/952588353.db2.gz HICISEOVBLLEHQ-UONOGXRCSA-N -1 1 378.440 1.782 20 0 GDADMM Cc1ccccc1[C@H](C)C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571134301 952588355 /nfs/dbraw/zinc/58/83/55/952588355.db2.gz HICISEOVBLLEHQ-UONOGXRCSA-N -1 1 378.440 1.782 20 0 GDADMM Cc1ccc(CC(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)[C@@H]2C)cc1 ZINC001571134664 952594267 /nfs/dbraw/zinc/59/42/67/952594267.db2.gz LIXYIQCNPGNWET-HIFRSBDPSA-N -1 1 378.440 1.291 20 0 GDADMM Cc1ccc(CC(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)[C@@H]2C)cc1 ZINC001571134664 952594271 /nfs/dbraw/zinc/59/42/71/952594271.db2.gz LIXYIQCNPGNWET-HIFRSBDPSA-N -1 1 378.440 1.291 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)CC2)cc1 ZINC001571134798 952594695 /nfs/dbraw/zinc/59/46/95/952594695.db2.gz MYVRKPGOUTYDKG-OAHLLOKOSA-N -1 1 378.440 1.754 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)CC2)cc1 ZINC001571134798 952594699 /nfs/dbraw/zinc/59/46/99/952594699.db2.gz MYVRKPGOUTYDKG-OAHLLOKOSA-N -1 1 378.440 1.754 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)Cc3ccccc3)[C@H]2C)n1 ZINC001571134783 952595236 /nfs/dbraw/zinc/59/52/36/952595236.db2.gz LMJUDAOWIOYFHQ-DZGCQCFKSA-N -1 1 378.440 1.609 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)Cc3ccccc3)[C@H]2C)n1 ZINC001571134783 952595240 /nfs/dbraw/zinc/59/52/40/952595240.db2.gz LMJUDAOWIOYFHQ-DZGCQCFKSA-N -1 1 378.440 1.609 20 0 GDADMM CCc1ccc(C(=O)N2CCC[C@H]2CNc2nccnc2-c2nnn[n-]2)cc1 ZINC001571134746 952595427 /nfs/dbraw/zinc/59/54/27/952595427.db2.gz KWIMJDOGSPEVBO-HNNXBMFYSA-N -1 1 378.440 1.936 20 0 GDADMM CCc1ccc(C(=O)N2CCC[C@H]2CNc2nccnc2-c2nn[n-]n2)cc1 ZINC001571134746 952595429 /nfs/dbraw/zinc/59/54/29/952595429.db2.gz KWIMJDOGSPEVBO-HNNXBMFYSA-N -1 1 378.440 1.936 20 0 GDADMM Cc1cccc(C(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C[C@@H]2C)c1C ZINC001571134839 952596161 /nfs/dbraw/zinc/59/61/61/952596161.db2.gz OHNYAOBBKSFHQW-GXTWGEPZSA-N -1 1 378.440 1.989 20 0 GDADMM Cc1cccc(C(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C[C@@H]2C)c1C ZINC001571134839 952596167 /nfs/dbraw/zinc/59/61/67/952596167.db2.gz OHNYAOBBKSFHQW-GXTWGEPZSA-N -1 1 378.440 1.989 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2C=CC=CC=C2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571134877 952596280 /nfs/dbraw/zinc/59/62/80/952596280.db2.gz MIOBLQJSZZAIRB-ZFWWWQNUSA-N -1 1 378.440 1.429 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2C=CC=CC=C2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571134877 952596282 /nfs/dbraw/zinc/59/62/82/952596282.db2.gz MIOBLQJSZZAIRB-ZFWWWQNUSA-N -1 1 378.440 1.429 20 0 GDADMM Cc1ccccc1C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571134925 952597241 /nfs/dbraw/zinc/59/72/41/952597241.db2.gz OUUXURZIPKYPCA-CQSZACIVSA-N -1 1 378.440 1.754 20 0 GDADMM Cc1ccccc1C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571134925 952597244 /nfs/dbraw/zinc/59/72/44/952597244.db2.gz OUUXURZIPKYPCA-CQSZACIVSA-N -1 1 378.440 1.754 20 0 GDADMM CCc1cccc(CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)CC2)c1 ZINC001571135283 952601210 /nfs/dbraw/zinc/60/12/10/952601210.db2.gz SMOHYLJCLFBXHG-UHFFFAOYSA-N -1 1 378.440 1.110 20 0 GDADMM CCc1cccc(CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)CC2)c1 ZINC001571135283 952601213 /nfs/dbraw/zinc/60/12/13/952601213.db2.gz SMOHYLJCLFBXHG-UHFFFAOYSA-N -1 1 378.440 1.110 20 0 GDADMM Cc1ccc(C)c(C(=O)N2CCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)c1 ZINC001571135374 952602270 /nfs/dbraw/zinc/60/22/70/952602270.db2.gz WCSFDTPHOYAGFW-CQSZACIVSA-N -1 1 378.440 1.990 20 0 GDADMM Cc1ccc(C)c(C(=O)N2CCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)c1 ZINC001571135374 952602273 /nfs/dbraw/zinc/60/22/73/952602273.db2.gz WCSFDTPHOYAGFW-CQSZACIVSA-N -1 1 378.440 1.990 20 0 GDADMM Cc1ccccc1CCC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571135503 952604271 /nfs/dbraw/zinc/60/42/71/952604271.db2.gz ZGUDDTZWJLXWKQ-OAHLLOKOSA-N -1 1 378.440 1.033 20 0 GDADMM C[C@@H](c1ccccc1)N(C)C(=O)Cn1c2c(cc(-c3nn[n-]n3)c1=O)CCC2 ZINC001571135953 952611417 /nfs/dbraw/zinc/61/14/17/952611417.db2.gz JAOWXOPIJLALID-ZDUSSCGKSA-N -1 1 378.436 1.737 20 0 GDADMM COc1ccc(NC(=O)c2csc(-c3nn[n-]n3)c2)c(S(C)(=O)=O)c1 ZINC001571140607 952627949 /nfs/dbraw/zinc/62/79/49/952627949.db2.gz DBHOXLCQDURGPX-UHFFFAOYSA-N -1 1 379.423 1.593 20 0 GDADMM CN(c1snc(Cl)c1-c1nnn[n-]1)[C@@H]1CCN(C(=O)c2ccc[nH]2)C1 ZINC001571142305 952640160 /nfs/dbraw/zinc/64/01/60/952640160.db2.gz OSGMTKJFRFQVKQ-MRVPVSSYSA-N -1 1 378.849 1.656 20 0 GDADMM CN(c1snc(Cl)c1-c1nn[n-]n1)[C@@H]1CCN(C(=O)c2ccc[nH]2)C1 ZINC001571142305 952640161 /nfs/dbraw/zinc/64/01/61/952640161.db2.gz OSGMTKJFRFQVKQ-MRVPVSSYSA-N -1 1 378.849 1.656 20 0 GDADMM Cc1ncccc1CC(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)[C@H]1C ZINC001571146629 952651552 /nfs/dbraw/zinc/65/15/52/952651552.db2.gz KIBGZLLPLYFMJB-OCCSQVGLSA-N -1 1 379.428 1.004 20 0 GDADMM Cc1ncccc1CC(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)[C@H]1C ZINC001571146629 952651553 /nfs/dbraw/zinc/65/15/53/952651553.db2.gz KIBGZLLPLYFMJB-OCCSQVGLSA-N -1 1 379.428 1.004 20 0 GDADMM O=C(c1ccccn1)N1CCC[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571147045 952656771 /nfs/dbraw/zinc/65/67/71/952656771.db2.gz RAJBGIGCSRPZTP-CYBMUJFWSA-N -1 1 379.428 1.406 20 0 GDADMM O=C(c1ccccn1)N1CCC[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571147045 952656780 /nfs/dbraw/zinc/65/67/80/952656780.db2.gz RAJBGIGCSRPZTP-CYBMUJFWSA-N -1 1 379.428 1.406 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571147337 952660117 /nfs/dbraw/zinc/66/01/17/952660117.db2.gz KCHBFOLFIDBELX-LBPRGKRZSA-N -1 1 379.428 1.184 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571147337 952660119 /nfs/dbraw/zinc/66/01/19/952660119.db2.gz KCHBFOLFIDBELX-LBPRGKRZSA-N -1 1 379.428 1.184 20 0 GDADMM CCc1cncc(C(=O)N2C[C@H](C)[C@H](Nc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571147869 952664692 /nfs/dbraw/zinc/66/46/92/952664692.db2.gz RFOIKXZDDVQSLO-SMDDNHRTSA-N -1 1 379.428 1.187 20 0 GDADMM CCc1cncc(C(=O)N2C[C@H](C)[C@H](Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571147869 952664693 /nfs/dbraw/zinc/66/46/93/952664693.db2.gz RFOIKXZDDVQSLO-SMDDNHRTSA-N -1 1 379.428 1.187 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccccn2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571148456 952667204 /nfs/dbraw/zinc/66/72/04/952667204.db2.gz ZWYGKBHSCIUORJ-STQMWFEESA-N -1 1 379.428 1.262 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccccn2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571148456 952667207 /nfs/dbraw/zinc/66/72/07/952667207.db2.gz ZWYGKBHSCIUORJ-STQMWFEESA-N -1 1 379.428 1.262 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCC[C@@H]2CNC(=O)c2ccncc2)n1 ZINC001571148441 952667380 /nfs/dbraw/zinc/66/73/80/952667380.db2.gz ZODQPUWZGFVGQE-CQSZACIVSA-N -1 1 379.428 1.149 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCC[C@@H]2CNC(=O)c2ccncc2)n1 ZINC001571148441 952667385 /nfs/dbraw/zinc/66/73/85/952667385.db2.gz ZODQPUWZGFVGQE-CQSZACIVSA-N -1 1 379.428 1.149 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C(C)(F)F ZINC001571155384 952695732 /nfs/dbraw/zinc/69/57/32/952695732.db2.gz QAVCIZIHQLHKOB-MNOVXSKESA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C(C)(F)F ZINC001571155384 952695735 /nfs/dbraw/zinc/69/57/35/952695735.db2.gz QAVCIZIHQLHKOB-MNOVXSKESA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C(C)(F)F)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571155330 952695951 /nfs/dbraw/zinc/69/59/51/952695951.db2.gz OGTWENVIYGEBCK-GXSJLCMTSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C(C)(F)F)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571155330 952695955 /nfs/dbraw/zinc/69/59/55/952695955.db2.gz OGTWENVIYGEBCK-GXSJLCMTSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@H](Nc1nccnc1-c1nnn[n-]1)[C@@H]1CCCCN1C(=O)CC(C)(F)F ZINC001571155526 952698088 /nfs/dbraw/zinc/69/80/88/952698088.db2.gz VNMBVBCPFZNZFT-QWRGUYRKSA-N -1 1 380.403 1.884 20 0 GDADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)[C@@H]1CCCCN1C(=O)CC(C)(F)F ZINC001571155526 952698090 /nfs/dbraw/zinc/69/80/90/952698090.db2.gz VNMBVBCPFZNZFT-QWRGUYRKSA-N -1 1 380.403 1.884 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)[C@@H]2CCN(C(=O)CC(C)(F)F)C2)n1 ZINC001571155536 952698207 /nfs/dbraw/zinc/69/82/07/952698207.db2.gz VSXSGVNXXVQBSR-GHMZBOCLSA-N -1 1 380.403 1.659 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)[C@@H]2CCN(C(=O)CC(C)(F)F)C2)n1 ZINC001571155536 952698210 /nfs/dbraw/zinc/69/82/10/952698210.db2.gz VSXSGVNXXVQBSR-GHMZBOCLSA-N -1 1 380.403 1.659 20 0 GDADMM Cc1cc[nH]c1C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1nccnc1-c1nnn[n-]1)C2 ZINC001571157175 952706861 /nfs/dbraw/zinc/70/68/61/952706861.db2.gz NAKUWFLTBCNDJL-AVGNSLFASA-N -1 1 379.428 1.081 20 0 GDADMM Cc1cc[nH]c1C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1nccnc1-c1nn[n-]n1)C2 ZINC001571157175 952706863 /nfs/dbraw/zinc/70/68/63/952706863.db2.gz NAKUWFLTBCNDJL-AVGNSLFASA-N -1 1 379.428 1.081 20 0 GDADMM COc1cccc(C(=O)N2C[C@@H](C)[C@H](Nc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571158259 952709834 /nfs/dbraw/zinc/70/98/34/952709834.db2.gz GARQXZBZHAGFCR-BXUZGUMPSA-N -1 1 380.412 1.238 20 0 GDADMM COc1cccc(C(=O)N2C[C@@H](C)[C@H](Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571158259 952709840 /nfs/dbraw/zinc/70/98/40/952709840.db2.gz GARQXZBZHAGFCR-BXUZGUMPSA-N -1 1 380.412 1.238 20 0 GDADMM COc1cc(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)ccc1C ZINC001571158460 952711777 /nfs/dbraw/zinc/71/17/77/952711777.db2.gz IGKUUYRUEVMHGS-ZDUSSCGKSA-N -1 1 380.412 1.300 20 0 GDADMM COc1cc(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)ccc1C ZINC001571158460 952711781 /nfs/dbraw/zinc/71/17/81/952711781.db2.gz IGKUUYRUEVMHGS-ZDUSSCGKSA-N -1 1 380.412 1.300 20 0 GDADMM Cc1cccc(C(=O)N2CCC[C@@H]2CN(C)c2nccnc2-c2nnn[n-]2)n1 ZINC001571158916 952715459 /nfs/dbraw/zinc/71/54/59/952715459.db2.gz UGNVVGFLYZEUJF-CYBMUJFWSA-N -1 1 379.428 1.101 20 0 GDADMM Cc1cccc(C(=O)N2CCC[C@@H]2CN(C)c2nccnc2-c2nn[n-]n2)n1 ZINC001571158916 952715462 /nfs/dbraw/zinc/71/54/62/952715462.db2.gz UGNVVGFLYZEUJF-CYBMUJFWSA-N -1 1 379.428 1.101 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@]3(CCN(c4cncc(-c5nnn[n-]5)n4)C3)C2)o1 ZINC001571159000 952715782 /nfs/dbraw/zinc/71/57/82/952715782.db2.gz OUNNXMAWZLMSBT-GOSISDBHSA-N -1 1 380.412 1.301 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@]3(CCN(c4cncc(-c5nn[n-]n5)n4)C3)C2)o1 ZINC001571159000 952715792 /nfs/dbraw/zinc/71/57/92/952715792.db2.gz OUNNXMAWZLMSBT-GOSISDBHSA-N -1 1 380.412 1.301 20 0 GDADMM Cc1cncc(C(=O)N2CCC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571158912 952716189 /nfs/dbraw/zinc/71/61/89/952716189.db2.gz UEOVDOLFPJHHBR-CYBMUJFWSA-N -1 1 379.428 1.324 20 0 GDADMM Cc1cncc(C(=O)N2CCC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571158912 952716195 /nfs/dbraw/zinc/71/61/95/952716195.db2.gz UEOVDOLFPJHHBR-CYBMUJFWSA-N -1 1 379.428 1.324 20 0 GDADMM Cc1cnccc1C(=O)N[C@@H]1CC[C@H](C)N(c2nccnc2-c2nnn[n-]2)C1 ZINC001571158923 952716344 /nfs/dbraw/zinc/71/63/44/952716344.db2.gz UKPUBYQUXRPHIR-QWHCGFSZSA-N -1 1 379.428 1.147 20 0 GDADMM Cc1cnccc1C(=O)N[C@@H]1CC[C@H](C)N(c2nccnc2-c2nn[n-]n2)C1 ZINC001571158923 952716353 /nfs/dbraw/zinc/71/63/53/952716353.db2.gz UKPUBYQUXRPHIR-QWHCGFSZSA-N -1 1 379.428 1.147 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)oc1C ZINC001571159244 952716876 /nfs/dbraw/zinc/71/68/76/952716876.db2.gz RJGZFFZJAOSYSN-GXTWGEPZSA-N -1 1 380.412 1.217 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)oc1C ZINC001571159244 952716879 /nfs/dbraw/zinc/71/68/79/952716879.db2.gz RJGZFFZJAOSYSN-GXTWGEPZSA-N -1 1 380.412 1.217 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCC[C@H]2NC(=O)c2ccccn2)n1 ZINC001571159783 952721723 /nfs/dbraw/zinc/72/17/23/952721723.db2.gz WRURLIRXXOSFFD-CHWSQXEVSA-N -1 1 379.428 1.513 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCC[C@H]2NC(=O)c2ccccn2)n1 ZINC001571159783 952721726 /nfs/dbraw/zinc/72/17/26/952721726.db2.gz WRURLIRXXOSFFD-CHWSQXEVSA-N -1 1 379.428 1.513 20 0 GDADMM Cc1cnc(C(=O)NC[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c(C)c1 ZINC001571160360 952725995 /nfs/dbraw/zinc/72/59/95/952725995.db2.gz ZKRIZPIDVYHWJU-BETUJISGSA-N -1 1 379.428 1.289 20 0 GDADMM Cc1cnc(C(=O)NC[C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c(C)c1 ZINC001571160360 952725999 /nfs/dbraw/zinc/72/59/99/952725999.db2.gz ZKRIZPIDVYHWJU-BETUJISGSA-N -1 1 379.428 1.289 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(CN3CCCCC3=O)cc2)n1 ZINC001571161608 952733788 /nfs/dbraw/zinc/73/37/88/952733788.db2.gz YRFUHBZHFWJYRJ-UHFFFAOYSA-N -1 1 380.412 1.365 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(CN3CCCCC3=O)cc2)n1 ZINC001571161608 952733792 /nfs/dbraw/zinc/73/37/92/952733792.db2.gz YRFUHBZHFWJYRJ-UHFFFAOYSA-N -1 1 380.412 1.365 20 0 GDADMM Cc1ccoc1C(=O)N1CCC[C@H]2[C@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001571161653 952734398 /nfs/dbraw/zinc/73/43/98/952734398.db2.gz ZVPBIUUWOSOLFA-UONOGXRCSA-N -1 1 380.412 1.442 20 0 GDADMM Cc1ccoc1C(=O)N1CCC[C@H]2[C@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001571161653 952734401 /nfs/dbraw/zinc/73/44/01/952734401.db2.gz ZVPBIUUWOSOLFA-UONOGXRCSA-N -1 1 380.412 1.442 20 0 GDADMM O=C(N1CC[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)C1(C2CC2)CC1 ZINC001571171839 952798248 /nfs/dbraw/zinc/79/82/48/952798248.db2.gz GOYXKLZRYRZSQP-KGLIPLIRSA-N -1 1 380.456 1.417 20 0 GDADMM O=C(N1CC[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)C1(C2CC2)CC1 ZINC001571171839 952798252 /nfs/dbraw/zinc/79/82/52/952798252.db2.gz GOYXKLZRYRZSQP-KGLIPLIRSA-N -1 1 380.456 1.417 20 0 GDADMM O=C(N[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2)C1(C2CC2)CC1 ZINC001571171847 952798438 /nfs/dbraw/zinc/79/84/38/952798438.db2.gz GRQFHUOXUOADNI-ZIAGYGMSSA-N -1 1 380.456 1.686 20 0 GDADMM O=C(N[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2)C1(C2CC2)CC1 ZINC001571171847 952798441 /nfs/dbraw/zinc/79/84/41/952798441.db2.gz GRQFHUOXUOADNI-ZIAGYGMSSA-N -1 1 380.456 1.686 20 0 GDADMM O=C(c1ccon1)N1CCC[C@H]1CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001571172048 952801733 /nfs/dbraw/zinc/80/17/33/952801733.db2.gz LEDSRTFOVDBKII-ZETCQYMHSA-N -1 1 380.821 1.681 20 0 GDADMM O=C([C@@H]1CC12CC2)N1CCC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001571172132 952802131 /nfs/dbraw/zinc/80/21/31/952802131.db2.gz NKOQHRNSPTUIDI-UGSOOPFHSA-N -1 1 380.456 1.276 20 0 GDADMM O=C([C@@H]1CC12CC2)N1CCC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001571172132 952802137 /nfs/dbraw/zinc/80/21/37/952802137.db2.gz NKOQHRNSPTUIDI-UGSOOPFHSA-N -1 1 380.456 1.276 20 0 GDADMM O=C(c1ccon1)N1CCC[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571172198 952802920 /nfs/dbraw/zinc/80/29/20/952802920.db2.gz OZEXZDPZWLYUGA-ZETCQYMHSA-N -1 1 380.821 1.681 20 0 GDADMM O=C(c1ccon1)N1CCC[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571172198 952802924 /nfs/dbraw/zinc/80/29/24/952802924.db2.gz OZEXZDPZWLYUGA-ZETCQYMHSA-N -1 1 380.821 1.681 20 0 GDADMM O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CC[C@@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571172292 952805070 /nfs/dbraw/zinc/80/50/70/952805070.db2.gz SEFZTNWAXPPBIL-IECZYAKXSA-N -1 1 380.456 1.132 20 0 GDADMM O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CC[C@@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571172292 952805075 /nfs/dbraw/zinc/80/50/75/952805075.db2.gz SEFZTNWAXPPBIL-IECZYAKXSA-N -1 1 380.456 1.132 20 0 GDADMM O=C(c1coc(C2CC2)n1)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571178161 952835489 /nfs/dbraw/zinc/83/54/89/952835489.db2.gz ADOZBLQCOZNSMW-NSHDSACASA-N -1 1 381.400 1.239 20 0 GDADMM O=C(c1coc(C2CC2)n1)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571178161 952835498 /nfs/dbraw/zinc/83/54/98/952835498.db2.gz ADOZBLQCOZNSMW-NSHDSACASA-N -1 1 381.400 1.239 20 0 GDADMM O=C(c1coc(C2CC2)n1)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571178160 952836138 /nfs/dbraw/zinc/83/61/38/952836138.db2.gz ADOZBLQCOZNSMW-LLVKDONJSA-N -1 1 381.400 1.239 20 0 GDADMM O=C(c1coc(C2CC2)n1)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571178160 952836145 /nfs/dbraw/zinc/83/61/45/952836145.db2.gz ADOZBLQCOZNSMW-LLVKDONJSA-N -1 1 381.400 1.239 20 0 GDADMM CN(C[C@@H]1CCCCN1C(=O)c1ccn(C)c1)c1nccnc1-c1nnn[n-]1 ZINC001571184651 952895179 /nfs/dbraw/zinc/89/51/79/952895179.db2.gz CKRUZGJFAOTPME-AWEZNQCLSA-N -1 1 381.444 1.126 20 0 GDADMM CN(C[C@@H]1CCCCN1C(=O)c1ccn(C)c1)c1nccnc1-c1nn[n-]n1 ZINC001571184651 952895184 /nfs/dbraw/zinc/89/51/84/952895184.db2.gz CKRUZGJFAOTPME-AWEZNQCLSA-N -1 1 381.444 1.126 20 0 GDADMM Cc1cc(C(=O)N2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C[C@@H]2C)c(C)n1C ZINC001571184998 952898838 /nfs/dbraw/zinc/89/88/38/952898838.db2.gz GMOPIVKFEXUHSD-WCQYABFASA-N -1 1 381.444 1.327 20 0 GDADMM Cc1cc(C(=O)N2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C[C@@H]2C)c(C)n1C ZINC001571184998 952898848 /nfs/dbraw/zinc/89/88/48/952898848.db2.gz GMOPIVKFEXUHSD-WCQYABFASA-N -1 1 381.444 1.327 20 0 GDADMM Cc1c(C(=O)N2CCC[C@@H](N(C)c3ccc(-c4nnn[n-]4)nn3)C2)ccn1C ZINC001571185221 952901330 /nfs/dbraw/zinc/90/13/30/952901330.db2.gz JQXACTGQTFNCAP-CYBMUJFWSA-N -1 1 381.444 1.045 20 0 GDADMM Cc1c(C(=O)N2CCC[C@@H](N(C)c3ccc(-c4nn[n-]n4)nn3)C2)ccn1C ZINC001571185221 952901332 /nfs/dbraw/zinc/90/13/32/952901332.db2.gz JQXACTGQTFNCAP-CYBMUJFWSA-N -1 1 381.444 1.045 20 0 GDADMM Cc1c(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)ccn1C(C)C ZINC001571186128 952905098 /nfs/dbraw/zinc/90/50/98/952905098.db2.gz TUBUXQCKBPOPHC-CYBMUJFWSA-N -1 1 381.444 1.356 20 0 GDADMM Cc1c(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)ccn1C(C)C ZINC001571186128 952905099 /nfs/dbraw/zinc/90/50/99/952905099.db2.gz TUBUXQCKBPOPHC-CYBMUJFWSA-N -1 1 381.444 1.356 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)[C@H]2CCCCN2C(=O)c2cc[nH]c2)n1 ZINC001571186596 952908109 /nfs/dbraw/zinc/90/81/09/952908109.db2.gz XXSHUTUGUMKZGI-IUODEOHRSA-N -1 1 381.444 1.789 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)[C@H]2CCCCN2C(=O)c2cc[nH]c2)n1 ZINC001571186596 952908113 /nfs/dbraw/zinc/90/81/13/952908113.db2.gz XXSHUTUGUMKZGI-IUODEOHRSA-N -1 1 381.444 1.789 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)c(C)[nH]1 ZINC001571187926 952910188 /nfs/dbraw/zinc/91/01/88/952910188.db2.gz CXUUOMMJINJKHY-CYBMUJFWSA-N -1 1 381.444 1.566 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)c(C)[nH]1 ZINC001571187926 952910192 /nfs/dbraw/zinc/91/01/92/952910192.db2.gz CXUUOMMJINJKHY-CYBMUJFWSA-N -1 1 381.444 1.566 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)[C@H](C)C2)n1C ZINC001571189372 952929714 /nfs/dbraw/zinc/92/97/14/952929714.db2.gz VUWJMWRPXAFTRW-CHWSQXEVSA-N -1 1 381.444 1.091 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)CC2)c(C)[nH]1 ZINC001571189579 952931798 /nfs/dbraw/zinc/93/17/98/952931798.db2.gz XOWWDLWOSOUXNL-ZDUSSCGKSA-N -1 1 381.444 1.391 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)CC2)c(C)[nH]1 ZINC001571189579 952931800 /nfs/dbraw/zinc/93/18/00/952931800.db2.gz XOWWDLWOSOUXNL-ZDUSSCGKSA-N -1 1 381.444 1.391 20 0 GDADMM CC[C@H](SC)C(=O)N1CC[C@@H](N(C)c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571191261 952945671 /nfs/dbraw/zinc/94/56/71/952945671.db2.gz OYZVACFBFZMUDA-MNOVXSKESA-N -1 1 381.531 1.810 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)(F)F)CC2)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571193891 952954101 /nfs/dbraw/zinc/95/41/01/952954101.db2.gz AIAAWLSNFZZCJI-WPRPVWTQSA-N -1 1 382.350 1.258 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)(F)F)CC2)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571193891 952954104 /nfs/dbraw/zinc/95/41/04/952954104.db2.gz AIAAWLSNFZZCJI-WPRPVWTQSA-N -1 1 382.350 1.258 20 0 GDADMM O=C(N[C@H]1CCNC1=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC001571194029 952957215 /nfs/dbraw/zinc/95/72/15/952957215.db2.gz FBYWKGKJNPLIIZ-ZDUSSCGKSA-N -1 1 382.355 1.416 20 0 GDADMM O=C(N[C@H]1CCNC1=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC001571194029 952957218 /nfs/dbraw/zinc/95/72/18/952957218.db2.gz FBYWKGKJNPLIIZ-ZDUSSCGKSA-N -1 1 382.355 1.416 20 0 GDADMM O=C(C1CC1)N1C[C@@H](CNc2nccnc2-c2nnn[n-]2)[C@H](C(F)(F)F)C1 ZINC001571194250 952959819 /nfs/dbraw/zinc/95/98/19/952959819.db2.gz JNFXUDIGQFJYQD-NXEZZACHSA-N -1 1 382.350 1.116 20 0 GDADMM O=C(C1CC1)N1C[C@@H](CNc2nccnc2-c2nn[n-]n2)[C@H](C(F)(F)F)C1 ZINC001571194250 952959822 /nfs/dbraw/zinc/95/98/22/952959822.db2.gz JNFXUDIGQFJYQD-NXEZZACHSA-N -1 1 382.350 1.116 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)(F)F)CC2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571194524 952963959 /nfs/dbraw/zinc/96/39/59/952963959.db2.gz OJKKFZJGIGFFKW-PSASIEDQSA-N -1 1 382.350 1.258 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)(F)F)CC2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571194524 952963963 /nfs/dbraw/zinc/96/39/63/952963963.db2.gz OJKKFZJGIGFFKW-PSASIEDQSA-N -1 1 382.350 1.258 20 0 GDADMM O=C([C@@H](F)Cc1ccccc1)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571196898 952984266 /nfs/dbraw/zinc/98/42/66/952984266.db2.gz PENQIQIQADIZED-KGLIPLIRSA-N -1 1 382.403 1.250 20 0 GDADMM O=C([C@@H](F)Cc1ccccc1)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571196898 952984274 /nfs/dbraw/zinc/98/42/74/952984274.db2.gz PENQIQIQADIZED-KGLIPLIRSA-N -1 1 382.403 1.250 20 0 GDADMM C[C@]1(CNc2ccc(-c3nnn[n-]3)nn2)CCN(C(=O)c2ccc(F)cc2)C1 ZINC001571197235 952987564 /nfs/dbraw/zinc/98/75/64/952987564.db2.gz USEHNIPVSQUYNZ-GOSISDBHSA-N -1 1 382.403 1.760 20 0 GDADMM C[C@]1(CNc2ccc(-c3nn[n-]n3)nn2)CCN(C(=O)c2ccc(F)cc2)C1 ZINC001571197235 952987567 /nfs/dbraw/zinc/98/75/67/952987567.db2.gz USEHNIPVSQUYNZ-GOSISDBHSA-N -1 1 382.403 1.760 20 0 GDADMM CN(C(=O)Cc1ccc(F)cc1)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571197123 952987591 /nfs/dbraw/zinc/98/75/91/952987591.db2.gz SKDQOGGQAWLNEO-AWEZNQCLSA-N -1 1 382.403 1.076 20 0 GDADMM CN(C(=O)Cc1ccc(F)cc1)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571197123 952987592 /nfs/dbraw/zinc/98/75/92/952987592.db2.gz SKDQOGGQAWLNEO-AWEZNQCLSA-N -1 1 382.403 1.076 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](N(CC)C(=O)c3ccoc3)C2)n1 ZINC001571198911 952994689 /nfs/dbraw/zinc/99/46/89/952994689.db2.gz ICAVLYGLVTXXHL-CYBMUJFWSA-N -1 1 382.428 1.553 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](N(CC)C(=O)c3ccoc3)C2)n1 ZINC001571198911 952994694 /nfs/dbraw/zinc/99/46/94/952994694.db2.gz ICAVLYGLVTXXHL-CYBMUJFWSA-N -1 1 382.428 1.553 20 0 GDADMM CCc1occc1C(=O)N[C@H]1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571198933 952995054 /nfs/dbraw/zinc/99/50/54/952995054.db2.gz ILZOJGONYAILMY-HAQNSBGRSA-N -1 1 382.428 1.965 20 0 GDADMM CCc1occc1C(=O)N[C@H]1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571198933 952995058 /nfs/dbraw/zinc/99/50/58/952995058.db2.gz ILZOJGONYAILMY-HAQNSBGRSA-N -1 1 382.428 1.965 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)CCc2ccco2)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571199178 952996031 /nfs/dbraw/zinc/99/60/31/952996031.db2.gz MTQHVQLEPDJIFM-ZDUSSCGKSA-N -1 1 382.428 1.167 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N(C)[C@@H]2CCN(C(=O)c3occc3C)C2)n1 ZINC001571199630 953003193 /nfs/dbraw/zinc/00/31/93/953003193.db2.gz WZSZPJQAKFONMW-GFCCVEGCSA-N -1 1 382.428 1.471 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N(C)[C@@H]2CCN(C(=O)c3occc3C)C2)n1 ZINC001571199630 953003197 /nfs/dbraw/zinc/00/31/97/953003197.db2.gz WZSZPJQAKFONMW-GFCCVEGCSA-N -1 1 382.428 1.471 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)[C@H](F)c1ccccc1 ZINC001571199773 953004602 /nfs/dbraw/zinc/00/46/02/953004602.db2.gz BPTISMBDWNPOEI-UKRRQHHQSA-N -1 1 382.403 1.453 20 0 GDADMM C[C@@H]1CN(C(=O)CCc2ccco2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571199924 953005490 /nfs/dbraw/zinc/00/54/90/953005490.db2.gz CVRIDKYLPGXZIX-CHWSQXEVSA-N -1 1 382.428 1.389 20 0 GDADMM C[C@@H]1CN(C(=O)CCc2ccco2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571199924 953005492 /nfs/dbraw/zinc/00/54/92/953005492.db2.gz CVRIDKYLPGXZIX-CHWSQXEVSA-N -1 1 382.428 1.389 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)Cc3ccco3)C[C@@H]2C)n1 ZINC001571200576 953010598 /nfs/dbraw/zinc/01/05/98/953010598.db2.gz DXOJOZDTPDKBNW-SMDDNHRTSA-N -1 1 382.428 1.450 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)Cc3ccco3)C[C@@H]2C)n1 ZINC001571200576 953010601 /nfs/dbraw/zinc/01/06/01/953010601.db2.gz DXOJOZDTPDKBNW-SMDDNHRTSA-N -1 1 382.428 1.450 20 0 GDADMM O=C(c1ccc(CF)cc1)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571200814 953012328 /nfs/dbraw/zinc/01/23/28/953012328.db2.gz LYTPIHZNSGEXSZ-CQSZACIVSA-N -1 1 382.403 1.843 20 0 GDADMM O=C(c1ccc(CF)cc1)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571200814 953012332 /nfs/dbraw/zinc/01/23/32/953012332.db2.gz LYTPIHZNSGEXSZ-CQSZACIVSA-N -1 1 382.403 1.843 20 0 GDADMM Cc1cc(C(=O)NC[C@H]2CCCCCN2c2ccnc(-c3nn[n-]n3)n2)co1 ZINC001571200994 953013170 /nfs/dbraw/zinc/01/31/70/953013170.db2.gz HPSHUUJDBNZZCP-CQSZACIVSA-N -1 1 382.428 1.737 20 0 GDADMM CC(C)c1occc1C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571201156 953014859 /nfs/dbraw/zinc/01/48/59/953014859.db2.gz OJRQZTGQFPNKEJ-GFCCVEGCSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1occc1C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571201156 953014865 /nfs/dbraw/zinc/01/48/65/953014865.db2.gz OJRQZTGQFPNKEJ-GFCCVEGCSA-N -1 1 382.428 1.772 20 0 GDADMM CC[C@H]1CN(C(=O)c2ccoc2C)CC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571201104 953015320 /nfs/dbraw/zinc/01/53/20/953015320.db2.gz MQQZPMMGKCHRBZ-GXTWGEPZSA-N -1 1 382.428 1.911 20 0 GDADMM CC[C@H]1CN(C(=O)c2ccoc2C)CC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571201104 953015326 /nfs/dbraw/zinc/01/53/26/953015326.db2.gz MQQZPMMGKCHRBZ-GXTWGEPZSA-N -1 1 382.428 1.911 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1)c1ccco1 ZINC001571201408 953017871 /nfs/dbraw/zinc/01/78/71/953017871.db2.gz PUFZCXLSMRZSSC-CHWSQXEVSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1)c1ccco1 ZINC001571201408 953017874 /nfs/dbraw/zinc/01/78/74/953017874.db2.gz PUFZCXLSMRZSSC-CHWSQXEVSA-N -1 1 382.428 1.846 20 0 GDADMM O=C(N[C@@H]1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cccc(F)c1 ZINC001571202381 953024724 /nfs/dbraw/zinc/02/47/24/953024724.db2.gz VWQRDGVWMSEWLM-UONOGXRCSA-N -1 1 382.403 1.949 20 0 GDADMM O=C(N[C@@H]1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cccc(F)c1 ZINC001571202381 953024727 /nfs/dbraw/zinc/02/47/27/953024727.db2.gz VWQRDGVWMSEWLM-UONOGXRCSA-N -1 1 382.403 1.949 20 0 GDADMM Cc1coc(C)c1C(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001571202575 953027080 /nfs/dbraw/zinc/02/70/80/953027080.db2.gz VDNAKBWPQNIYRF-WCQYABFASA-N -1 1 382.428 1.890 20 0 GDADMM Cc1coc(C)c1C(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001571202575 953027086 /nfs/dbraw/zinc/02/70/86/953027086.db2.gz VDNAKBWPQNIYRF-WCQYABFASA-N -1 1 382.428 1.890 20 0 GDADMM Cc1cocc1C(=O)N1CC[C@H](C)[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571202656 953028254 /nfs/dbraw/zinc/02/82/54/953028254.db2.gz WZKNUQPFWVXXNO-WCQYABFASA-N -1 1 382.428 1.768 20 0 GDADMM Cc1cocc1C(=O)N1CC[C@H](C)[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571202656 953028261 /nfs/dbraw/zinc/02/82/61/953028261.db2.gz WZKNUQPFWVXXNO-WCQYABFASA-N -1 1 382.428 1.768 20 0 GDADMM Cc1ccoc1C(=O)N1CC[C@H](C)[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571202832 953029504 /nfs/dbraw/zinc/02/95/04/953029504.db2.gz ZMDTVCCEVYQUIM-AAEUAGOBSA-N -1 1 382.428 1.768 20 0 GDADMM Cc1ccoc1C(=O)N1CC[C@H](C)[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571202832 953029510 /nfs/dbraw/zinc/02/95/10/953029510.db2.gz ZMDTVCCEVYQUIM-AAEUAGOBSA-N -1 1 382.428 1.768 20 0 GDADMM CCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)c2c[nH]nc2C)CC1 ZINC001571206999 953058386 /nfs/dbraw/zinc/05/83/86/953058386.db2.gz ZDRQXCFZXNAVHE-UHFFFAOYSA-N -1 1 382.432 1.185 20 0 GDADMM CCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)c2c[nH]nc2C)CC1 ZINC001571206999 953058388 /nfs/dbraw/zinc/05/83/88/953058388.db2.gz ZDRQXCFZXNAVHE-UHFFFAOYSA-N -1 1 382.432 1.185 20 0 GDADMM CC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1cccnc1-c1nnn[n-]1 ZINC001571209925 953068479 /nfs/dbraw/zinc/06/84/79/953068479.db2.gz ITPNKAVHODEUKV-CQSZACIVSA-N -1 1 382.449 1.670 20 0 GDADMM CC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1cccnc1-c1nn[n-]n1 ZINC001571209925 953068482 /nfs/dbraw/zinc/06/84/82/953068482.db2.gz ITPNKAVHODEUKV-CQSZACIVSA-N -1 1 382.449 1.670 20 0 GDADMM O=C(c1cccs1)N1CCC[C@H]2[C@@H]1CCN2c1nccnc1-c1nnn[n-]1 ZINC001571210229 953071296 /nfs/dbraw/zinc/07/12/96/953071296.db2.gz OYYXKYUNNVCCHX-RYUDHWBXSA-N -1 1 382.453 1.602 20 0 GDADMM O=C(c1cccs1)N1CCC[C@H]2[C@@H]1CCN2c1nccnc1-c1nn[n-]n1 ZINC001571210229 953071298 /nfs/dbraw/zinc/07/12/98/953071298.db2.gz OYYXKYUNNVCCHX-RYUDHWBXSA-N -1 1 382.453 1.602 20 0 GDADMM CCC[C@@H]1C[C@H]1C(=O)NC1CC2(C1)CC(Nc1cnc(-c3nnn[n-]3)cn1)C2 ZINC001571212299 953087299 /nfs/dbraw/zinc/08/72/99/953087299.db2.gz KZZNLRJAKTWBPU-TUPFJXMPSA-N -1 1 382.472 1.932 20 0 GDADMM CCC[C@@H]1C[C@H]1C(=O)NC1CC2(C1)CC(Nc1cnc(-c3nn[n-]n3)cn1)C2 ZINC001571212299 953087305 /nfs/dbraw/zinc/08/73/05/953087305.db2.gz KZZNLRJAKTWBPU-TUPFJXMPSA-N -1 1 382.472 1.932 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CCC2)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571212456 953088106 /nfs/dbraw/zinc/08/81/06/953088106.db2.gz MAENUTWJTTVHBC-AEGPPILISA-N -1 1 382.472 1.378 20 0 GDADMM CCc1nc(NC[C@H]2CCCN(C(=O)[C@H]3CC34CC4)C2)cc(-c2nnn[n-]2)n1 ZINC001571212894 953091416 /nfs/dbraw/zinc/09/14/16/953091416.db2.gz NYXRSGHUXKONRN-CHWSQXEVSA-N -1 1 382.472 1.670 20 0 GDADMM CCc1nc(NC[C@H]2CCCN(C(=O)[C@H]3CC34CC4)C2)cc(-c2nn[n-]n2)n1 ZINC001571212894 953091419 /nfs/dbraw/zinc/09/14/19/953091419.db2.gz NYXRSGHUXKONRN-CHWSQXEVSA-N -1 1 382.472 1.670 20 0 GDADMM CN(C[C@@H]1CCCCN1C(=O)[C@H]1CC12CCC2)c1ccnc(-c2nn[n-]n2)n1 ZINC001571212986 953091762 /nfs/dbraw/zinc/09/17/62/953091762.db2.gz PFTWITZIXYDDIT-UONOGXRCSA-N -1 1 382.472 1.664 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3CN(C(=O)C4CCCCC4)C[C@@H]3C2)n1 ZINC001571214336 953101454 /nfs/dbraw/zinc/10/14/54/953101454.db2.gz XPHXTSLUOUMBMI-GASCZTMLSA-N -1 1 382.472 1.440 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3CN(C(=O)C4CCCCC4)C[C@@H]3C2)n1 ZINC001571214336 953101457 /nfs/dbraw/zinc/10/14/57/953101457.db2.gz XPHXTSLUOUMBMI-GASCZTMLSA-N -1 1 382.472 1.440 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCN(C(=O)C3CC4(CCC4)C3)CC2)n1 ZINC001571214348 953101544 /nfs/dbraw/zinc/10/15/44/953101544.db2.gz XVAIUNPLIPFIKH-UHFFFAOYSA-N -1 1 382.472 1.584 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCN(C(=O)C3CC4(CCC4)C3)CC2)n1 ZINC001571214348 953101547 /nfs/dbraw/zinc/10/15/47/953101547.db2.gz XVAIUNPLIPFIKH-UHFFFAOYSA-N -1 1 382.472 1.584 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C2CCN(C(=O)[C@]34C[C@H]3CCC4)CC2)n1 ZINC001571214457 953102420 /nfs/dbraw/zinc/10/24/20/953102420.db2.gz YYKKBDQAEDTUAP-BFUOFWGJSA-N -1 1 382.472 1.583 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C2CCN(C(=O)[C@]34C[C@H]3CCC4)CC2)n1 ZINC001571214457 953102423 /nfs/dbraw/zinc/10/24/23/953102423.db2.gz YYKKBDQAEDTUAP-BFUOFWGJSA-N -1 1 382.472 1.583 20 0 GDADMM COC(=O)c1cc(CNC(=O)Nc2ccnc(-c3nnn[n-]3)c2)ccc1OC ZINC001571216868 953104360 /nfs/dbraw/zinc/10/43/60/953104360.db2.gz BEHAKBUBJCWVKH-UHFFFAOYSA-N -1 1 383.368 1.379 20 0 GDADMM COC(=O)c1cc(CNC(=O)Nc2ccnc(-c3nn[n-]n3)c2)ccc1OC ZINC001571216868 953104367 /nfs/dbraw/zinc/10/43/67/953104367.db2.gz BEHAKBUBJCWVKH-UHFFFAOYSA-N -1 1 383.368 1.379 20 0 GDADMM O=C(c1ccns1)N1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001571217652 953110334 /nfs/dbraw/zinc/11/03/34/953110334.db2.gz GXSSQLJERLGACY-UHFFFAOYSA-N -1 1 382.862 1.396 20 0 GDADMM O=C(CC1CCCCC1)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001571218418 953115240 /nfs/dbraw/zinc/11/52/40/953115240.db2.gz MZLGBSBLPHSJHK-GASCZTMLSA-N -1 1 382.472 1.522 20 0 GDADMM O=C(CC1CCCCC1)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001571218418 953115244 /nfs/dbraw/zinc/11/52/44/953115244.db2.gz MZLGBSBLPHSJHK-GASCZTMLSA-N -1 1 382.472 1.522 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)C12CCC(CC1)CC2 ZINC001571218452 953115251 /nfs/dbraw/zinc/11/52/51/953115251.db2.gz OFJCEVDPEAPWQT-BIWSTMPVSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(C1CCC1)N1CCCC[C@@H]1[C@H]1CCCN1c1nccnc1-c1nnn[n-]1 ZINC001571219124 953123405 /nfs/dbraw/zinc/12/34/05/953123405.db2.gz VYOIJILKKVNYMC-HUUCEWRRSA-N -1 1 382.472 1.807 20 0 GDADMM O=C(C1CCC1)N1CCCC[C@@H]1[C@H]1CCCN1c1nccnc1-c1nn[n-]n1 ZINC001571219124 953123407 /nfs/dbraw/zinc/12/34/07/953123407.db2.gz VYOIJILKKVNYMC-HUUCEWRRSA-N -1 1 382.472 1.807 20 0 GDADMM CCc1cc(C(=O)N2CC[C@@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)[C@@H]2C)no1 ZINC001571222350 953134335 /nfs/dbraw/zinc/13/43/35/953134335.db2.gz GUXKWQGYMKEJKE-CMPLNLGQSA-N -1 1 383.416 1.231 20 0 GDADMM CCc1cc(C(=O)N2CC[C@@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)[C@@H]2C)no1 ZINC001571222350 953134337 /nfs/dbraw/zinc/13/43/37/953134337.db2.gz GUXKWQGYMKEJKE-CMPLNLGQSA-N -1 1 383.416 1.231 20 0 GDADMM CC(C)c1cc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)[C@@H]2C)on1 ZINC001571222856 953140016 /nfs/dbraw/zinc/14/00/16/953140016.db2.gz MCBOUUGCGAHKMX-WDEREUQCSA-N -1 1 383.416 1.483 20 0 GDADMM CC(C)c1cc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)[C@@H]2C)on1 ZINC001571222856 953140018 /nfs/dbraw/zinc/14/00/18/953140018.db2.gz MCBOUUGCGAHKMX-WDEREUQCSA-N -1 1 383.416 1.483 20 0 GDADMM CCc1ocnc1C(=O)N[C@@H]1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571223042 953141647 /nfs/dbraw/zinc/14/16/47/953141647.db2.gz PNOWADPXGVHPEX-GHMZBOCLSA-N -1 1 383.416 1.218 20 0 GDADMM CCc1ocnc1C(=O)N[C@@H]1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571223042 953141649 /nfs/dbraw/zinc/14/16/49/953141649.db2.gz PNOWADPXGVHPEX-GHMZBOCLSA-N -1 1 383.416 1.218 20 0 GDADMM CCc1ocnc1C(=O)N1CCCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571223293 953143648 /nfs/dbraw/zinc/14/36/48/953143648.db2.gz SMAUSBPMORAGBH-LLVKDONJSA-N -1 1 383.416 1.314 20 0 GDADMM CCc1ocnc1C(=O)N1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571223293 953143651 /nfs/dbraw/zinc/14/36/51/953143651.db2.gz SMAUSBPMORAGBH-LLVKDONJSA-N -1 1 383.416 1.314 20 0 GDADMM CCCc1cc(C(=O)NC[C@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)no1 ZINC001571223969 953148547 /nfs/dbraw/zinc/14/85/47/953148547.db2.gz WHEMJCOEWXICLJ-PHIMTYICSA-N -1 1 383.416 1.218 20 0 GDADMM CCCc1cc(C(=O)NC[C@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)no1 ZINC001571223969 953148549 /nfs/dbraw/zinc/14/85/49/953148549.db2.gz WHEMJCOEWXICLJ-PHIMTYICSA-N -1 1 383.416 1.218 20 0 GDADMM CC(C)c1oncc1C(=O)N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571224149 953149275 /nfs/dbraw/zinc/14/92/75/953149275.db2.gz ZJFVZNSMZJCWJE-NSHDSACASA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1oncc1C(=O)N1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571224149 953149279 /nfs/dbraw/zinc/14/92/79/953149279.db2.gz ZJFVZNSMZJCWJE-NSHDSACASA-N -1 1 383.416 1.485 20 0 GDADMM Cc1nsc(N2C[C@@H](C)[C@H](NC(=O)[C@@H]3CCC3(F)F)C2)c1-c1nn[n-]n1 ZINC001571229977 953172947 /nfs/dbraw/zinc/17/29/47/953172947.db2.gz PZTPGWDQPGQDDY-FKTZTGRPSA-N -1 1 383.428 1.618 20 0 GDADMM COc1ccc(CNS(=O)(=O)Cc2csc(-c3nn[n-]n3)c2)cc1F ZINC001571230154 953174454 /nfs/dbraw/zinc/17/44/54/953174454.db2.gz SQILOFSBAQVTJE-UHFFFAOYSA-N -1 1 383.430 1.696 20 0 GDADMM Cc1nsc(N[C@H]2C[C@@H](CNC(=O)C3CC(F)(F)C3)C2)c1-c1nn[n-]n1 ZINC001571230357 953175897 /nfs/dbraw/zinc/17/58/97/953175897.db2.gz WEKHRJGLUYALHK-WAAGHKOSSA-N -1 1 383.428 1.984 20 0 GDADMM Cc1nsc(N2CCCC[C@@H]2CNC(=O)[C@@H]2CC2(F)F)c1-c1nn[n-]n1 ZINC001571230380 953176971 /nfs/dbraw/zinc/17/69/71/953176971.db2.gz WPZQEVGHRPMTKK-ZJUUUORDSA-N -1 1 383.428 1.762 20 0 GDADMM O=C(NC[C@@H]1CCCN1c1nc(-c2nn[n-]n2)c(Cl)s1)[C@@H]1CCCO1 ZINC001571234516 953202859 /nfs/dbraw/zinc/20/28/59/953202859.db2.gz ANPCAWNWFMQLIF-IUCAKERBSA-N -1 1 383.865 1.241 20 0 GDADMM CCOC(=O)C1=CC[C@H](NC(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571235182 953209697 /nfs/dbraw/zinc/20/96/97/953209697.db2.gz WEHKNXJNHPJALF-ZETCQYMHSA-N -1 1 383.821 1.750 20 0 GDADMM COc1ccc(C(=O)N2CCC(CNc3ccc(-c4nnn[n-]4)nn3)CC2)o1 ZINC001571237707 953223089 /nfs/dbraw/zinc/22/30/89/953223089.db2.gz MCGQJQFWSQDHBS-UHFFFAOYSA-N -1 1 384.400 1.223 20 0 GDADMM COc1ccc(C(=O)N2CCC(CNc3ccc(-c4nn[n-]n4)nn3)CC2)o1 ZINC001571237707 953223092 /nfs/dbraw/zinc/22/30/92/953223092.db2.gz MCGQJQFWSQDHBS-UHFFFAOYSA-N -1 1 384.400 1.223 20 0 GDADMM O=C(N[C@@H](CO)[C@H](O)C1CCCCC1)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001571241455 953246731 /nfs/dbraw/zinc/24/67/31/953246731.db2.gz ABCIDEYOUXBCMD-WMLDXEAASA-N -1 1 384.440 1.380 20 0 GDADMM Cc1cc(C)c(C(=O)NC2CC(CNc3cncc(-c4nnn[n-]4)n3)C2)s1 ZINC001571244539 953264416 /nfs/dbraw/zinc/26/44/16/953264416.db2.gz AKXAPNHXMPSTFH-UHFFFAOYSA-N -1 1 384.469 1.956 20 0 GDADMM Cc1cc(C)c(C(=O)NC2CC(CNc3cncc(-c4nn[n-]n4)n3)C2)s1 ZINC001571244539 953264418 /nfs/dbraw/zinc/26/44/18/953264418.db2.gz AKXAPNHXMPSTFH-UHFFFAOYSA-N -1 1 384.469 1.956 20 0 GDADMM CCc1ccsc1C(=O)NCC1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571244682 953265807 /nfs/dbraw/zinc/26/58/07/953265807.db2.gz DREAGNUSPXPYIM-UHFFFAOYSA-N -1 1 384.469 1.901 20 0 GDADMM CCc1ccsc1C(=O)NCC1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571244682 953265810 /nfs/dbraw/zinc/26/58/10/953265810.db2.gz DREAGNUSPXPYIM-UHFFFAOYSA-N -1 1 384.469 1.901 20 0 GDADMM CCc1cncc(C(=O)N[C@@H]2CCN(c3snc(C)c3-c3nn[n-]n3)C2)c1 ZINC001571244848 953267425 /nfs/dbraw/zinc/26/74/25/953267425.db2.gz KGTCECANVQFANJ-CYBMUJFWSA-N -1 1 384.469 1.598 20 0 GDADMM Cc1cscc1C(=O)NC[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571244899 953268369 /nfs/dbraw/zinc/26/83/69/953268369.db2.gz LKPRFCRUOFXUDT-GFCCVEGCSA-N -1 1 384.469 1.673 20 0 GDADMM Cc1cscc1C(=O)NC[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571244899 953268372 /nfs/dbraw/zinc/26/83/72/953268372.db2.gz LKPRFCRUOFXUDT-GFCCVEGCSA-N -1 1 384.469 1.673 20 0 GDADMM C[C@H]1CN(C(=O)Cc2cccs2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571244910 953268635 /nfs/dbraw/zinc/26/86/35/953268635.db2.gz LWQSEDWAPWQWAI-RYUDHWBXSA-N -1 1 384.469 1.467 20 0 GDADMM C[C@H]1CN(C(=O)Cc2cccs2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571244910 953268637 /nfs/dbraw/zinc/26/86/37/953268637.db2.gz LWQSEDWAPWQWAI-RYUDHWBXSA-N -1 1 384.469 1.467 20 0 GDADMM Cc1csc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)[C@H]2C)c1 ZINC001571245164 953270899 /nfs/dbraw/zinc/27/08/99/953270899.db2.gz OWDYNBJRMIFECW-NWDGAFQWSA-N -1 1 384.469 1.814 20 0 GDADMM Cc1csc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)[C@H]2C)c1 ZINC001571245164 953270901 /nfs/dbraw/zinc/27/09/01/953270901.db2.gz OWDYNBJRMIFECW-NWDGAFQWSA-N -1 1 384.469 1.814 20 0 GDADMM Cc1cc(C)c(C(=O)N2CCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)s1 ZINC001571245247 953271558 /nfs/dbraw/zinc/27/15/58/953271558.db2.gz QHUKZNYAXYOATB-GFCCVEGCSA-N -1 1 384.469 1.474 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccsc2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571245520 953274326 /nfs/dbraw/zinc/27/43/26/953274326.db2.gz JUBJMLNDIGWEMB-DGCLKSJQSA-N -1 1 384.469 1.929 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccsc2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571245520 953274329 /nfs/dbraw/zinc/27/43/29/953274329.db2.gz JUBJMLNDIGWEMB-DGCLKSJQSA-N -1 1 384.469 1.929 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@@H](N(C)c3cncc(-c4nnn[n-]4)n3)C2)s1 ZINC001571245601 953275091 /nfs/dbraw/zinc/27/50/91/953275091.db2.gz WKRALUNMLUHPIB-GFCCVEGCSA-N -1 1 384.469 1.306 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@@H](N(C)c3cncc(-c4nn[n-]n4)n3)C2)s1 ZINC001571245601 953275093 /nfs/dbraw/zinc/27/50/93/953275093.db2.gz WKRALUNMLUHPIB-GFCCVEGCSA-N -1 1 384.469 1.306 20 0 GDADMM C[C@@H]1CC[C@@H](NC(=O)CC2CC(C)(C)C2)CN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571249127 953301680 /nfs/dbraw/zinc/30/16/80/953301680.db2.gz DLJDEWVNUFBTAG-TZMCWYRMSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@@H]1CC[C@@H](NC(=O)CC2CC(C)(C)C2)CN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571249127 953301683 /nfs/dbraw/zinc/30/16/83/953301683.db2.gz DLJDEWVNUFBTAG-TZMCWYRMSA-N 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CC1(C)C(C(=O)N2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C(C)(C)C2)C1(C)C ZINC001571250675 953312364 /nfs/dbraw/zinc/31/23/64/953312364.db2.gz SDSQZUOVURSPFI-LLVKDONJSA-N -1 1 384.488 1.988 20 0 GDADMM CC1(C)CCC(C(=O)NC[C@@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571251503 953317461 /nfs/dbraw/zinc/31/74/61/953317461.db2.gz YXBSHMXXAOOXDB-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C2CCN(C(=O)[C@H]3C[C@@H]3C(C)C)CC2)n1 ZINC001571252267 953325926 /nfs/dbraw/zinc/32/59/26/953325926.db2.gz JFPCPNCPHZFYKH-CABCVRRESA-N -1 1 384.488 1.684 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C2CCN(C(=O)[C@H]3C[C@@H]3C(C)C)CC2)n1 ZINC001571252267 953325930 /nfs/dbraw/zinc/32/59/30/953325930.db2.gz JFPCPNCPHZFYKH-CABCVRRESA-N -1 1 384.488 1.684 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C2CCN(C(=O)[C@@H]3C[C@H]3C(C)C)CC2)n1 ZINC001571252270 953326812 /nfs/dbraw/zinc/32/68/12/953326812.db2.gz JFPCPNCPHZFYKH-LSDHHAIUSA-N -1 1 384.488 1.684 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C2CCN(C(=O)[C@@H]3C[C@H]3C(C)C)CC2)n1 ZINC001571252270 953326817 /nfs/dbraw/zinc/32/68/17/953326817.db2.gz JFPCPNCPHZFYKH-LSDHHAIUSA-N -1 1 384.488 1.684 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](N(CC)C(=O)[C@H]3CC3(C)C)C2)n1 ZINC001571252504 953329298 /nfs/dbraw/zinc/32/92/98/953329298.db2.gz OACISCJIJJOTPJ-CHWSQXEVSA-N -1 1 384.488 1.692 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](N(CC)C(=O)[C@H]3CC3(C)C)C2)n1 ZINC001571252504 953329301 /nfs/dbraw/zinc/32/93/01/953329301.db2.gz OACISCJIJJOTPJ-CHWSQXEVSA-N -1 1 384.488 1.692 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H]2CNC(=O)[C@H]2CC[C@H](C)CC2)n1 ZINC001571252714 953332130 /nfs/dbraw/zinc/33/21/30/953332130.db2.gz UUBYAXZQBIUJJT-BPLDGKMQSA-N -1 1 384.488 1.876 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H]2CNC(=O)[C@H]2CC[C@H](C)CC2)n1 ZINC001571252714 953332132 /nfs/dbraw/zinc/33/21/32/953332132.db2.gz UUBYAXZQBIUJJT-BPLDGKMQSA-N -1 1 384.488 1.876 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(CNC(=O)[C@@H]3C[C@@H]3C(C)C)CC2)n1 ZINC001571252776 953332925 /nfs/dbraw/zinc/33/29/25/953332925.db2.gz WFAXPYAMFUSEHF-HUUCEWRRSA-N -1 1 384.488 1.590 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(CNC(=O)[C@@H]3C[C@@H]3C(C)C)CC2)n1 ZINC001571252776 953332931 /nfs/dbraw/zinc/33/29/31/953332931.db2.gz WFAXPYAMFUSEHF-HUUCEWRRSA-N -1 1 384.488 1.590 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H]3CN(C(=O)C(C)(C)CC)C[C@@H]3C2)n1 ZINC001571252762 953333090 /nfs/dbraw/zinc/33/30/90/953333090.db2.gz VVZLMWKPENHTRC-BETUJISGSA-N -1 1 384.488 1.550 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H]3CN(C(=O)C(C)(C)CC)C[C@@H]3C2)n1 ZINC001571252762 953333093 /nfs/dbraw/zinc/33/30/93/953333093.db2.gz VVZLMWKPENHTRC-BETUJISGSA-N -1 1 384.488 1.550 20 0 GDADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@@H]1CCN(C(=O)C(C)(C)C2CCCC2)C1 ZINC001571252935 953334147 /nfs/dbraw/zinc/33/41/47/953334147.db2.gz ZKKXJAIGQWRNBE-CQSZACIVSA-N -1 1 384.488 1.910 20 0 GDADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)C(C)(C)C2CCCC2)C1 ZINC001571252935 953334149 /nfs/dbraw/zinc/33/41/49/953334149.db2.gz ZKKXJAIGQWRNBE-CQSZACIVSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CN(C(=O)[C@H]2CCC2(C)C)C[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001571252893 953334237 /nfs/dbraw/zinc/33/42/37/953334237.db2.gz YIZFDDKFMUBASF-MGPQQGTHSA-N -1 1 384.488 1.411 20 0 GDADMM CNS(=O)(=O)c1cc(NC(=O)CN2CCCC[C@H]2CCC(=O)[O-])ccc1C ZINC000424263287 953444185 /nfs/dbraw/zinc/44/41/85/953444185.db2.gz RPZGOTQMBQEBKR-HNNXBMFYSA-N -1 1 397.497 1.561 20 0 GDADMM COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)NCC(=O)[O-])c1 ZINC000485548117 953529936 /nfs/dbraw/zinc/52/99/36/953529936.db2.gz PXFLNNXPKSJICY-UHFFFAOYSA-N -1 1 398.824 1.964 20 0 GDADMM C[C@H]1CCN(C(=O)NCCCN2CCN(c3ccccc3)CC2)C[C@@H]1C(=O)[O-] ZINC000517029102 953544642 /nfs/dbraw/zinc/54/46/42/953544642.db2.gz VASLZFWILMEHAK-HKUYNNGSSA-N -1 1 388.512 1.951 20 0 GDADMM COC(=O)c1cc(NC(=O)CN2C[C@H](C(=O)[O-])CC[C@@H]2C)cc(C(=O)OC)c1 ZINC000521050682 953553914 /nfs/dbraw/zinc/55/39/14/953553914.db2.gz YRFYMXNCGGROOP-NWDGAFQWSA-N -1 1 392.408 1.383 20 0 GDADMM CCc1ccc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])c(O)c1 ZINC001593635620 953609719 /nfs/dbraw/zinc/60/97/19/953609719.db2.gz YBNQKKFNHXZXMU-WCQYABFASA-N -1 1 388.342 1.691 20 0 GDADMM C[C@H]1CCCN(C(=O)[C@H](Cc2cnc[nH]2)NC(=O)C2CCCCC2)[C@@H]1C(=O)[O-] ZINC001589325038 953894735 /nfs/dbraw/zinc/89/47/35/953894735.db2.gz FWPWIOVDKLRKEO-JQFCIGGWSA-N -1 1 390.484 1.729 20 0 GDADMM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)c3cc(C4CCCCC4)[nH]n3)CC2)C1 ZINC000653311288 954128396 /nfs/dbraw/zinc/12/83/96/954128396.db2.gz PVVDYUJOMWQNPN-CQSZACIVSA-N -1 1 388.468 1.995 20 0 GDADMM CN(C)c1ccnc(CNC(=O)N2C[C@@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)c1 ZINC001593712727 954195401 /nfs/dbraw/zinc/19/54/01/954195401.db2.gz NOEVKYHIRWHWGP-KGLIPLIRSA-N -1 1 386.456 1.281 20 0 GDADMM CC(C)C[C@H](CNC(=O)NC[C@@H](O)CN1CCc2ccccc2C1)CC(=O)[O-] ZINC000659415607 954338934 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C[C@@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCOC1)C(C)(F)F ZINC000349444507 532283898 /nfs/dbraw/zinc/28/38/98/532283898.db2.gz ABAXEBSNFWKWGB-LLVKDONJSA-N -1 1 398.453 1.377 20 0 GDADMM C[C@]1(F)CCN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC(F)F)C1 ZINC000349452878 532287299 /nfs/dbraw/zinc/28/72/99/532287299.db2.gz OMXABPIWMRCNHU-ZDUSSCGKSA-N -1 1 386.417 1.353 20 0 GDADMM CC(C)[C@H]1CCN1S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC(F)F ZINC000349454955 532287908 /nfs/dbraw/zinc/28/79/08/532287908.db2.gz QFTJMGLEQLUIAO-LLVKDONJSA-N -1 1 382.454 1.649 20 0 GDADMM Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(N2CCNC(=O)C2)cc1 ZINC000288694351 532303538 /nfs/dbraw/zinc/30/35/38/532303538.db2.gz XSMPVBVXNKGWKG-UHFFFAOYSA-N -1 1 380.857 1.780 20 0 GDADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000378548636 532290895 /nfs/dbraw/zinc/29/08/95/532290895.db2.gz DDWFLRLGWWNMNU-ZDUSSCGKSA-N -1 1 388.873 1.312 20 0 GDADMM NC(=O)[C@@H](c1cccc(Br)c1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000289505935 532326401 /nfs/dbraw/zinc/32/64/01/532326401.db2.gz UPGGSEHJDZPJDU-CMPLNLGQSA-N -1 1 380.246 1.267 20 0 GDADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C)c1noc(COC(C)C)n1 ZINC000289413351 532323603 /nfs/dbraw/zinc/32/36/03/532323603.db2.gz BGUJJEAFYIJJLE-SECBINFHSA-N -1 1 377.854 1.729 20 0 GDADMM CCOCc1nc([C@H](C)[N-]S(=O)(=O)c2ccc(Br)cn2)no1 ZINC000289590201 532328798 /nfs/dbraw/zinc/32/87/98/532328798.db2.gz PQKNQRZKRCBBEV-QMMMGPOBSA-N -1 1 391.247 1.803 20 0 GDADMM COc1ccc(S(=O)(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000289629425 532329697 /nfs/dbraw/zinc/32/96/97/532329697.db2.gz RVEKPNBGJIDPSZ-NSHDSACASA-N -1 1 380.388 1.774 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCc2cc3c([nH]c2=O)CCC3)cc1-c1nn[n-]n1 ZINC000737185778 598841853 /nfs/dbraw/zinc/84/18/53/598841853.db2.gz CIRZRPAPYMPYEK-UHFFFAOYSA-N -1 1 399.436 1.209 20 0 GDADMM CN(C)C(=O)C1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000736744615 598873868 /nfs/dbraw/zinc/87/38/68/598873868.db2.gz BJFYTBNKXWWUJO-UHFFFAOYSA-N -1 1 398.876 1.009 20 0 GDADMM CN(C)C(=O)C1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000736744615 598873869 /nfs/dbraw/zinc/87/38/69/598873869.db2.gz BJFYTBNKXWWUJO-UHFFFAOYSA-N -1 1 398.876 1.009 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCO[C@H]2CCCC[C@H]21 ZINC000738354135 598874474 /nfs/dbraw/zinc/87/44/74/598874474.db2.gz HQTZBLUJIQNZAI-NEPJUHHUSA-N -1 1 383.861 1.852 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCO[C@H]2CCCC[C@H]21 ZINC000738354135 598874476 /nfs/dbraw/zinc/87/44/76/598874476.db2.gz HQTZBLUJIQNZAI-NEPJUHHUSA-N -1 1 383.861 1.852 20 0 GDADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)cc1CO ZINC000736646393 598948276 /nfs/dbraw/zinc/94/82/76/598948276.db2.gz GCKTUQGRCVOZEH-UHFFFAOYSA-N -1 1 389.437 1.867 20 0 GDADMM NS(=O)(=O)c1ccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)s1 ZINC000737769913 598957154 /nfs/dbraw/zinc/95/71/54/598957154.db2.gz QSLOIPBVYHUXMZ-UHFFFAOYSA-N -1 1 388.438 1.131 20 0 GDADMM NS(=O)(=O)c1ccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)s1 ZINC000737769913 598957155 /nfs/dbraw/zinc/95/71/55/598957155.db2.gz QSLOIPBVYHUXMZ-UHFFFAOYSA-N -1 1 388.438 1.131 20 0 GDADMM O=C(NCC1CC1)[C@@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000738043891 598960566 /nfs/dbraw/zinc/96/05/66/598960566.db2.gz GFXBPYSHIURJGZ-CYBMUJFWSA-N -1 1 378.440 1.553 20 0 GDADMM O=C(NCC1CC1)[C@@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000738043891 598960567 /nfs/dbraw/zinc/96/05/67/598960567.db2.gz GFXBPYSHIURJGZ-CYBMUJFWSA-N -1 1 378.440 1.553 20 0 GDADMM O[C@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)COc1ccc(F)c(F)c1 ZINC000738380973 598968127 /nfs/dbraw/zinc/96/81/27/598968127.db2.gz FCUYZJGRBNWCKJ-SNVBAGLBSA-N -1 1 399.361 1.940 20 0 GDADMM O[C@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)COc1ccc(F)c(F)c1 ZINC000738380973 598968128 /nfs/dbraw/zinc/96/81/28/598968128.db2.gz FCUYZJGRBNWCKJ-SNVBAGLBSA-N -1 1 399.361 1.940 20 0 GDADMM O=C(NCC(F)(F)F)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000738041242 598988730 /nfs/dbraw/zinc/98/87/30/598988730.db2.gz YOQGKXXUTXLQKR-UHFFFAOYSA-N -1 1 391.313 1.806 20 0 GDADMM O=C(NCC(F)(F)F)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000738041242 598988732 /nfs/dbraw/zinc/98/87/32/598988732.db2.gz YOQGKXXUTXLQKR-UHFFFAOYSA-N -1 1 391.313 1.806 20 0 GDADMM O=C(Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738305784 598992221 /nfs/dbraw/zinc/99/22/21/598992221.db2.gz BPSUMKJYBRBTJZ-UHFFFAOYSA-N -1 1 398.814 1.104 20 0 GDADMM O=C(Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738305784 598992223 /nfs/dbraw/zinc/99/22/23/598992223.db2.gz BPSUMKJYBRBTJZ-UHFFFAOYSA-N -1 1 398.814 1.104 20 0 GDADMM CCOc1c(OC)cc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1OC ZINC000736626196 598998812 /nfs/dbraw/zinc/99/88/12/598998812.db2.gz FEABGHBQKWILLT-UHFFFAOYSA-N -1 1 384.396 1.608 20 0 GDADMM CCOc1c(OC)cc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1OC ZINC000736626196 598998813 /nfs/dbraw/zinc/99/88/13/598998813.db2.gz FEABGHBQKWILLT-UHFFFAOYSA-N -1 1 384.396 1.608 20 0 GDADMM CCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1C ZINC000736663408 599023719 /nfs/dbraw/zinc/02/37/19/599023719.db2.gz DTETZFBLMWTCQF-UHFFFAOYSA-N -1 1 387.425 1.584 20 0 GDADMM CCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1C ZINC000736663408 599023721 /nfs/dbraw/zinc/02/37/21/599023721.db2.gz DTETZFBLMWTCQF-UHFFFAOYSA-N -1 1 387.425 1.584 20 0 GDADMM COc1cccc([C@H](C)N2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)c1 ZINC000737122719 599029561 /nfs/dbraw/zinc/02/95/61/599029561.db2.gz WGRIUIJBXGXFJX-AWEZNQCLSA-N -1 1 393.451 1.789 20 0 GDADMM Cc1ccc(CN(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)C2CC2)o1 ZINC000737337717 599132673 /nfs/dbraw/zinc/13/26/73/599132673.db2.gz PPHNNPSIJULELF-UHFFFAOYSA-N -1 1 382.380 1.511 20 0 GDADMM Cc1ccc(CN(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)C2CC2)o1 ZINC000737337717 599132676 /nfs/dbraw/zinc/13/26/76/599132676.db2.gz PPHNNPSIJULELF-UHFFFAOYSA-N -1 1 382.380 1.511 20 0 GDADMM CCOc1cccc(NC(=S)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000821430696 599224840 /nfs/dbraw/zinc/22/48/40/599224840.db2.gz DKLZVBBATXVQRF-UHFFFAOYSA-N -1 1 387.473 1.490 20 0 GDADMM CCOc1cccc(NC(=S)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000821430696 599224841 /nfs/dbraw/zinc/22/48/41/599224841.db2.gz DKLZVBBATXVQRF-UHFFFAOYSA-N -1 1 387.473 1.490 20 0 GDADMM CC(C)[C@H](Cc1ccc(F)cc1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820020831 599231840 /nfs/dbraw/zinc/23/18/40/599231840.db2.gz KRMXRXCULXTDNZ-INIZCTEOSA-N -1 1 390.444 1.946 20 0 GDADMM CC(C)[C@H](Cc1ccc(F)cc1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820020831 599231841 /nfs/dbraw/zinc/23/18/41/599231841.db2.gz KRMXRXCULXTDNZ-INIZCTEOSA-N -1 1 390.444 1.946 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCc1ccc2c(c1)COC2 ZINC000822006022 607265343 /nfs/dbraw/zinc/26/53/43/607265343.db2.gz XTDYGQHXWGYVMH-UHFFFAOYSA-N -1 1 394.435 1.863 20 0 GDADMM O=C([O-])CNC(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O ZINC000740484836 597121768 /nfs/dbraw/zinc/12/17/68/597121768.db2.gz PDHQVHHXBZRKBY-UHFFFAOYSA-N -1 1 384.797 1.661 20 0 GDADMM O=C([O-])Cc1ccccc1NC(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000819610310 597328518 /nfs/dbraw/zinc/32/85/18/597328518.db2.gz OZQILYGCMHZYCX-GOSISDBHSA-N -1 1 383.448 1.854 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000822535258 607324422 /nfs/dbraw/zinc/32/44/22/607324422.db2.gz LGKSPZPCGWHPJB-AWEZNQCLSA-N -1 1 397.439 1.106 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H](C)[C@H](C)N1CCOCC1 ZINC000737549396 598242831 /nfs/dbraw/zinc/24/28/31/598242831.db2.gz UTEYQSQLRLHHGV-STQMWFEESA-N -1 1 399.455 1.398 20 0 GDADMM C[C@H]1CCC[C@H]1NC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000736263764 598257124 /nfs/dbraw/zinc/25/71/24/598257124.db2.gz SBQARHSXJFXRBO-WCQYABFASA-N -1 1 386.460 1.752 20 0 GDADMM O=S(=O)(NCCc1ccc2ccccc2c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738338939 598266209 /nfs/dbraw/zinc/26/62/09/598266209.db2.gz PGGOCSULVAHBPX-UHFFFAOYSA-N -1 1 380.433 1.936 20 0 GDADMM O=S(=O)(NCCc1ccc2ccccc2c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738338939 598266210 /nfs/dbraw/zinc/26/62/10/598266210.db2.gz PGGOCSULVAHBPX-UHFFFAOYSA-N -1 1 380.433 1.936 20 0 GDADMM C[C@@H](C(=O)Nc1cccc(Nc2nccnc2-c2nnn[n-]2)c1)n1cccn1 ZINC000735563208 598342286 /nfs/dbraw/zinc/34/22/86/598342286.db2.gz RPZJVJUTGJAFGZ-NSHDSACASA-N -1 1 376.384 1.797 20 0 GDADMM C[C@@H](C(=O)Nc1cccc(Nc2nccnc2-c2nn[n-]n2)c1)n1cccn1 ZINC000735563208 598342288 /nfs/dbraw/zinc/34/22/88/598342288.db2.gz RPZJVJUTGJAFGZ-NSHDSACASA-N -1 1 376.384 1.797 20 0 GDADMM COc1ccc(NC(=S)NNc2oc(C(C)(C)C)nc2-c2nn[n-]n2)cn1 ZINC000737103313 598378739 /nfs/dbraw/zinc/37/87/39/598378739.db2.gz GNBOBAXXPYWXOT-UHFFFAOYSA-N -1 1 389.445 1.869 20 0 GDADMM Clc1ccccc1OCCN1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC000737584521 598386101 /nfs/dbraw/zinc/38/61/01/598386101.db2.gz RFBCRPHMWHCBEK-UHFFFAOYSA-N -1 1 386.847 1.511 20 0 GDADMM Cc1nn(C)c(NC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)c1C ZINC000737511770 598400559 /nfs/dbraw/zinc/40/05/59/598400559.db2.gz NWSWFIFHXAILSR-UHFFFAOYSA-N -1 1 394.443 1.448 20 0 GDADMM Cc1nn(C)c(NC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)c1C ZINC000737511770 598400561 /nfs/dbraw/zinc/40/05/61/598400561.db2.gz NWSWFIFHXAILSR-UHFFFAOYSA-N -1 1 394.443 1.448 20 0 GDADMM O=C(N[C@H]1CCCNC1=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000738022431 598402627 /nfs/dbraw/zinc/40/26/27/598402627.db2.gz FQEXAXJUUQRQPK-AWEZNQCLSA-N -1 1 396.382 1.807 20 0 GDADMM O=C(N[C@H]1CCCNC1=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000738022431 598402628 /nfs/dbraw/zinc/40/26/28/598402628.db2.gz FQEXAXJUUQRQPK-AWEZNQCLSA-N -1 1 396.382 1.807 20 0 GDADMM O=C(COC(=O)c1cncs1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000737916518 598409588 /nfs/dbraw/zinc/40/95/88/598409588.db2.gz VUWYUMVANNNIDL-UHFFFAOYSA-N -1 1 396.392 1.304 20 0 GDADMM O=C(COC(=O)c1cncs1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737916518 598409590 /nfs/dbraw/zinc/40/95/90/598409590.db2.gz VUWYUMVANNNIDL-UHFFFAOYSA-N -1 1 396.392 1.304 20 0 GDADMM CCO[C@@H](CC)C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000736613699 598409863 /nfs/dbraw/zinc/40/98/63/598409863.db2.gz FIRGZUJABBTWCW-AWEZNQCLSA-N -1 1 399.411 1.349 20 0 GDADMM CCO[C@@H](CC)C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736613699 598409865 /nfs/dbraw/zinc/40/98/65/598409865.db2.gz FIRGZUJABBTWCW-AWEZNQCLSA-N -1 1 399.411 1.349 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC[C@@H](CCC(N)=O)C1 ZINC000737548756 598420333 /nfs/dbraw/zinc/42/03/33/598420333.db2.gz RBVCDLBOLWFLFB-ZDUSSCGKSA-N -1 1 397.439 1.677 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC[C@@H](CCC(N)=O)C1 ZINC000737548756 598420334 /nfs/dbraw/zinc/42/03/34/598420334.db2.gz RBVCDLBOLWFLFB-ZDUSSCGKSA-N -1 1 397.439 1.677 20 0 GDADMM COC(=O)[C@@H]1CCCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)C1 ZINC000736909164 598420845 /nfs/dbraw/zinc/42/08/45/598420845.db2.gz ICEGSGVIRPAINA-GFCCVEGCSA-N -1 1 384.396 1.584 20 0 GDADMM COC(=O)[C@@H]1CCCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)C1 ZINC000736909164 598420847 /nfs/dbraw/zinc/42/08/47/598420847.db2.gz ICEGSGVIRPAINA-GFCCVEGCSA-N -1 1 384.396 1.584 20 0 GDADMM C[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1cc2ccccc2s1 ZINC000736139194 598426704 /nfs/dbraw/zinc/42/67/04/598426704.db2.gz PDXPPHVJAIJWAX-VIFPVBQESA-N -1 1 383.437 1.652 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CCC(OC(C)C)CC2)cc1-c1nn[n-]n1 ZINC000737187787 598431613 /nfs/dbraw/zinc/43/16/13/598431613.db2.gz VCTBSNDYEDGGJW-UHFFFAOYSA-N -1 1 378.458 1.719 20 0 GDADMM CCSCCOC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000736668122 598481593 /nfs/dbraw/zinc/48/15/93/598481593.db2.gz XPGHOWRDRIRYQB-UHFFFAOYSA-N -1 1 375.458 1.755 20 0 GDADMM CCSCCOC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000736668122 598481594 /nfs/dbraw/zinc/48/15/94/598481594.db2.gz XPGHOWRDRIRYQB-UHFFFAOYSA-N -1 1 375.458 1.755 20 0 GDADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(Cc2csc(-c3ccoc3)n2)c1 ZINC000736940428 598492516 /nfs/dbraw/zinc/49/25/16/598492516.db2.gz LFKWVKPGAVMXLP-UHFFFAOYSA-N -1 1 384.377 1.580 20 0 GDADMM CO[C@@H]1CCCN(C(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)C1 ZINC000736960807 598551317 /nfs/dbraw/zinc/55/13/17/598551317.db2.gz HPLIXEXWDWRVKV-CYBMUJFWSA-N -1 1 384.444 1.096 20 0 GDADMM CO[C@@H]1CCCN(C(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)C1 ZINC000736960807 598551318 /nfs/dbraw/zinc/55/13/18/598551318.db2.gz HPLIXEXWDWRVKV-CYBMUJFWSA-N -1 1 384.444 1.096 20 0 GDADMM Cc1ccc(C2=NC(=Cc3cnc4c(-c5nnn[n-]5)cnn4c3)C(=O)O2)cc1C ZINC000737330122 598566818 /nfs/dbraw/zinc/56/68/18/598566818.db2.gz MIZVAPBLSNQJRK-GIDUJCDVSA-N -1 1 386.375 1.871 20 0 GDADMM Cc1ccc(C2=NC(=Cc3cnc4c(-c5nn[n-]n5)cnn4c3)C(=O)O2)cc1C ZINC000737330122 598566820 /nfs/dbraw/zinc/56/68/20/598566820.db2.gz MIZVAPBLSNQJRK-GIDUJCDVSA-N -1 1 386.375 1.871 20 0 GDADMM CNS(=O)(=O)c1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)s1 ZINC000736887733 598571237 /nfs/dbraw/zinc/57/12/37/598571237.db2.gz PVKFYPBSYSYHPS-UHFFFAOYSA-N -1 1 385.862 1.497 20 0 GDADMM CNS(=O)(=O)c1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)s1 ZINC000736887733 598571238 /nfs/dbraw/zinc/57/12/38/598571238.db2.gz PVKFYPBSYSYHPS-UHFFFAOYSA-N -1 1 385.862 1.497 20 0 GDADMM CCCS(=O)(=O)N1CCC(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000736497750 598574913 /nfs/dbraw/zinc/57/49/13/598574913.db2.gz MIEHHIFMTMLQTM-UHFFFAOYSA-N -1 1 385.881 1.531 20 0 GDADMM CCCS(=O)(=O)N1CCC(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000736497750 598574915 /nfs/dbraw/zinc/57/49/15/598574915.db2.gz MIEHHIFMTMLQTM-UHFFFAOYSA-N -1 1 385.881 1.531 20 0 GDADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(Cc2ncc(-c3cccs3)o2)c1 ZINC000736942009 598581414 /nfs/dbraw/zinc/58/14/14/598581414.db2.gz XKNVQHHJYJWJAV-UHFFFAOYSA-N -1 1 384.377 1.580 20 0 GDADMM O=C(c1c(F)cccc1Cl)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000738247184 598613739 /nfs/dbraw/zinc/61/37/39/598613739.db2.gz NRYSGXDAOZUOJG-UHFFFAOYSA-N -1 1 388.794 1.412 20 0 GDADMM O=C(c1c(F)cccc1Cl)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000738247184 598613740 /nfs/dbraw/zinc/61/37/40/598613740.db2.gz NRYSGXDAOZUOJG-UHFFFAOYSA-N -1 1 388.794 1.412 20 0 GDADMM COC(=O)CCCc1nc(CSc2nc(C)nc(C)c2-c2nn[n-]n2)no1 ZINC000736912922 598641014 /nfs/dbraw/zinc/64/10/14/598641014.db2.gz ITOFFGNVMCELDT-UHFFFAOYSA-N -1 1 390.429 1.445 20 0 GDADMM CCOC(=O)c1nc(Cn2nc(CC)c(CC)c(-c3nn[n-]n3)c2=O)cs1 ZINC000736605826 598641517 /nfs/dbraw/zinc/64/15/17/598641517.db2.gz QVRYDWHAAZQHSR-UHFFFAOYSA-N -1 1 389.441 1.230 20 0 GDADMM CCc1nn(CC(=O)Nc2cccnc2Cl)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705266 598643399 /nfs/dbraw/zinc/64/33/99/598643399.db2.gz DQXFVTMAHXTLBF-UHFFFAOYSA-N -1 1 388.819 1.235 20 0 GDADMM COc1cc(OC)cc(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737051911 598686932 /nfs/dbraw/zinc/68/69/32/598686932.db2.gz LXHZZFXGQZKFAM-UHFFFAOYSA-N -1 1 380.357 1.791 20 0 GDADMM CC(=O)Nc1ccc(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000735484499 598687769 /nfs/dbraw/zinc/68/77/69/598687769.db2.gz NOMDYSKHUBJBGE-UHFFFAOYSA-N -1 1 390.400 1.443 20 0 GDADMM CC(=O)Nc1cccc(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000735488193 598689538 /nfs/dbraw/zinc/68/95/38/598689538.db2.gz FPCLCGXRZVKFSQ-UHFFFAOYSA-N -1 1 390.400 1.443 20 0 GDADMM COCc1ccc(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000737017129 598690326 /nfs/dbraw/zinc/69/03/26/598690326.db2.gz KUMTXYRYQHEXQC-UHFFFAOYSA-N -1 1 377.401 1.631 20 0 GDADMM NC(=O)c1ccccc1N1CC[C@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000737761276 598747969 /nfs/dbraw/zinc/74/79/69/598747969.db2.gz SAOQNYXVYVKOCO-JTQLQIEISA-N -1 1 384.831 1.705 20 0 GDADMM NC(=O)c1ccccc1N1CC[C@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000737761276 598747971 /nfs/dbraw/zinc/74/79/71/598747971.db2.gz SAOQNYXVYVKOCO-JTQLQIEISA-N -1 1 384.831 1.705 20 0 GDADMM COCCc1noc(COC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)n1 ZINC000737015408 598779003 /nfs/dbraw/zinc/77/90/03/598779003.db2.gz WQTFXLZZKKDTCA-UHFFFAOYSA-N -1 1 399.367 1.488 20 0 GDADMM COCCc1noc(COC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)n1 ZINC000737015408 598779004 /nfs/dbraw/zinc/77/90/04/598779004.db2.gz WQTFXLZZKKDTCA-UHFFFAOYSA-N -1 1 399.367 1.488 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N(C)CCN1CCCC1=O ZINC000737547388 598794566 /nfs/dbraw/zinc/79/45/66/598794566.db2.gz INWWYBGTSHRQRU-UHFFFAOYSA-N -1 1 383.412 1.253 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N(C)CCN1CCCC1=O ZINC000737547388 598794567 /nfs/dbraw/zinc/79/45/67/598794567.db2.gz INWWYBGTSHRQRU-UHFFFAOYSA-N -1 1 383.412 1.253 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)N[C@H](C)c2nncn2C)c1-c1nn[n-]n1 ZINC000737189178 598810611 /nfs/dbraw/zinc/81/06/11/598810611.db2.gz KYCBXFUOMUIVLX-MRVPVSSYSA-N -1 1 385.457 1.481 20 0 GDADMM CCOC(=O)[C@@H](C)NC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000736585195 598810860 /nfs/dbraw/zinc/81/08/60/598810860.db2.gz ILKMLBRDMKPKAV-MRVPVSSYSA-N -1 1 376.442 1.542 20 0 GDADMM CCCN(c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)[C@H](CC)c1ccccc1 ZINC000736481821 598815574 /nfs/dbraw/zinc/81/55/74/598815574.db2.gz ZCYWZELUDBAUCJ-CQSZACIVSA-N -1 1 383.456 1.632 20 0 GDADMM CCOC(=O)CN(C)C(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000736596502 598818629 /nfs/dbraw/zinc/81/86/29/598818629.db2.gz PRAVYJIEYHKZTR-UHFFFAOYSA-N -1 1 376.442 1.496 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCCNc1ccccc1 ZINC000737201371 599346919 /nfs/dbraw/zinc/34/69/19/599346919.db2.gz RRSNPJPUHWIXOE-UHFFFAOYSA-N -1 1 381.440 1.745 20 0 GDADMM O=C(NCc1ccc(F)cc1)C1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000738104462 599412340 /nfs/dbraw/zinc/41/23/40/599412340.db2.gz YZEVTXOBLYYJOJ-UHFFFAOYSA-N -1 1 381.415 1.934 20 0 GDADMM O=C(NCc1ccc(F)cc1)C1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000738104462 599412343 /nfs/dbraw/zinc/41/23/43/599412343.db2.gz YZEVTXOBLYYJOJ-UHFFFAOYSA-N -1 1 381.415 1.934 20 0 GDADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[nH]n3)c2)ccc1F ZINC000735484142 599469931 /nfs/dbraw/zinc/46/99/31/599469931.db2.gz IXAVYDKDQMRIOP-UHFFFAOYSA-N -1 1 394.363 1.904 20 0 GDADMM CCN(C1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1)S(C)(=O)=O ZINC000821165410 599546582 /nfs/dbraw/zinc/54/65/82/599546582.db2.gz RPEAVNGFIPJTFH-UHFFFAOYSA-N -1 1 391.910 1.227 20 0 GDADMM CCN(C1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1)S(C)(=O)=O ZINC000821165410 599546584 /nfs/dbraw/zinc/54/65/84/599546584.db2.gz RPEAVNGFIPJTFH-UHFFFAOYSA-N -1 1 391.910 1.227 20 0 GDADMM Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N1CCN(C)C[C@H]1C(C)C ZINC000737198754 599560363 /nfs/dbraw/zinc/56/03/63/599560363.db2.gz CSJDFNQIVPTLGT-HNNXBMFYSA-N -1 1 387.488 1.315 20 0 GDADMM CC(C)(CNc1c2ccccc2nnc1-c1nnn[n-]1)N1CCS(=O)CC1 ZINC000819984006 599568469 /nfs/dbraw/zinc/56/84/69/599568469.db2.gz MNZURHDBRAXFJX-UHFFFAOYSA-N -1 1 386.485 1.065 20 0 GDADMM CC(C)(CNc1c2ccccc2nnc1-c1nn[n-]n1)N1CCS(=O)CC1 ZINC000819984006 599568470 /nfs/dbraw/zinc/56/84/70/599568470.db2.gz MNZURHDBRAXFJX-UHFFFAOYSA-N -1 1 386.485 1.065 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CCC(c3cc[nH]n3)CC2)cc1-c1nn[n-]n1 ZINC000737187063 599604470 /nfs/dbraw/zinc/60/44/70/599604470.db2.gz OOODUBVSCWQWBU-UHFFFAOYSA-N -1 1 386.441 1.432 20 0 GDADMM Cc1oc(NC(=O)COC(=O)Cc2ccn(C(C)C)n2)c(-c2nn[n-]n2)c1C ZINC000822548798 599666352 /nfs/dbraw/zinc/66/63/52/599666352.db2.gz ODWMUELJYYRZJO-UHFFFAOYSA-N -1 1 387.400 1.578 20 0 GDADMM COc1ccccc1N(CCC(N)=O)C(=O)CN1CCCC[C@H]1CC(=O)[O-] ZINC000650505320 599754411 /nfs/dbraw/zinc/75/44/11/599754411.db2.gz ZYXXPUBQGZRNAX-AWEZNQCLSA-N -1 1 377.441 1.233 20 0 GDADMM CCOC(=O)C1=C(CN[C@@H](C(=O)[O-])c2ccccc2)NC(=O)N[C@H]1c1ccco1 ZINC000737134650 599760037 /nfs/dbraw/zinc/76/00/37/599760037.db2.gz QXIAODAZNUDKOH-SJORKVTESA-N -1 1 399.403 1.866 20 0 GDADMM COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N2CC[C@H](N3CCCCC3)C2)c1 ZINC000737653900 599781144 /nfs/dbraw/zinc/78/11/44/599781144.db2.gz KTYVBWZPPUTXDZ-HNNXBMFYSA-N -1 1 396.465 1.420 20 0 GDADMM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N2CC[C@H](N3CCCCC3)C2)c1 ZINC000737685069 599781442 /nfs/dbraw/zinc/78/14/42/599781442.db2.gz YQTYDOWFGWCUBQ-AWEZNQCLSA-N -1 1 396.465 1.420 20 0 GDADMM COc1ccnc(N2CCN(S(=O)(=O)c3cccc(C(=O)[O-])c3)CC2)c1 ZINC000738128369 599801307 /nfs/dbraw/zinc/80/13/07/599801307.db2.gz XIBGLAZQWYFIQJ-UHFFFAOYSA-N -1 1 377.422 1.299 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc3nccnc3c2)c(C(=O)[O-])s1 ZINC000737680312 599815662 /nfs/dbraw/zinc/81/56/62/599815662.db2.gz HKXVWKLLVBGFNX-UHFFFAOYSA-N -1 1 393.402 1.977 20 0 GDADMM Cc1cc(NS(=O)(=O)c2ccsc2C(=O)[O-])ccc1S(N)(=O)=O ZINC000738463486 599850131 /nfs/dbraw/zinc/85/01/31/599850131.db2.gz HLJOGBHIRMJKID-UHFFFAOYSA-N -1 1 376.437 1.203 20 0 GDADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000736650363 599853866 /nfs/dbraw/zinc/85/38/66/599853866.db2.gz NEKDJMXGDDPQFZ-GFCCVEGCSA-N -1 1 380.404 1.738 20 0 GDADMM Cn1c(=O)c2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])cc2[nH]c1=S ZINC000739013762 599856273 /nfs/dbraw/zinc/85/62/73/599856273.db2.gz JPBNIPJLVBTBFX-HNNXBMFYSA-N -1 1 383.429 1.648 20 0 GDADMM CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)[O-])=C1CN1CCC[C@@H]1Cn1cncn1 ZINC000737506634 599968491 /nfs/dbraw/zinc/96/84/91/599968491.db2.gz ZXXFOWJCNGLLPW-QAPCUYQASA-N -1 1 396.451 1.478 20 0 GDADMM CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1CN1CCC[C@@H](n2cncn2)C1 ZINC000737505527 599975393 /nfs/dbraw/zinc/97/53/93/599975393.db2.gz MUVALVLAVCYIMT-CRAIPNDOSA-N -1 1 396.451 1.650 20 0 GDADMM COc1ccc(CNC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1C(=O)[O-] ZINC000738001466 600036808 /nfs/dbraw/zinc/03/68/08/600036808.db2.gz DXLXMGHUIKHDSG-CVEARBPZSA-N -1 1 377.441 1.134 20 0 GDADMM O=C([O-])CNC(=O)CCN1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000739806692 600159696 /nfs/dbraw/zinc/15/96/96/600159696.db2.gz MUBSUBBGGSISRI-ZDUSSCGKSA-N -1 1 388.251 1.987 20 0 GDADMM O=C(COC(=O)[C@@H]1C[C@@H]1C(=O)[O-])Nc1cccc(CN2CCSCC2)c1 ZINC000739323566 600192043 /nfs/dbraw/zinc/19/20/43/600192043.db2.gz VRWCPPJUAVQYTK-LSDHHAIUSA-N -1 1 378.450 1.438 20 0 GDADMM O=C([O-])[C@@H]1C[C@H]1C(=O)OCC(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000739323565 600192071 /nfs/dbraw/zinc/19/20/71/600192071.db2.gz VRWCPPJUAVQYTK-HUUCEWRRSA-N -1 1 378.450 1.438 20 0 GDADMM CN(C)Cc1cc(CNC(=O)C(=O)Nc2cc(C(=O)[O-])ccc2F)ccc1F ZINC000737368357 600200379 /nfs/dbraw/zinc/20/03/79/600200379.db2.gz NLBZDIDLCUQARO-UHFFFAOYSA-N -1 1 391.374 1.980 20 0 GDADMM CS(=O)(=O)Cc1ccc(S(=O)(=O)Nc2ccsc2C(=O)[O-])cc1 ZINC000738154859 600211517 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O=C([O-])[C@@H](NC(=O)CCNC(=O)c1n[nH]c2ccccc21)c1ccccc1F ZINC000833101196 601746801 /nfs/dbraw/zinc/74/68/01/601746801.db2.gz UXVHBFOWKYQAEF-KRWDZBQOSA-N -1 1 384.367 1.764 20 0 GDADMM COc1ccccc1[C@@H](CNC(=O)N1CCO[C@H](CC(=O)[O-])C1)N1CCCC1 ZINC000832597340 601763229 /nfs/dbraw/zinc/76/32/29/601763229.db2.gz VUCPYEUTZZBFCC-NVXWUHKLSA-N -1 1 391.468 1.717 20 0 GDADMM C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCC(CCC(=O)[O-])CC1 ZINC000826020435 601844133 /nfs/dbraw/zinc/84/41/33/601844133.db2.gz DZTVQYGLVCKIHW-GFCCVEGCSA-N -1 1 383.470 1.238 20 0 GDADMM CN(CCCC(=O)Nc1ccc2nc(CCN3CCOCC3)[nH]c2c1)C(=O)[O-] ZINC000737431822 601883525 /nfs/dbraw/zinc/88/35/25/601883525.db2.gz ZLNVWLXOOPCRBZ-UHFFFAOYSA-N -1 1 389.456 1.766 20 0 GDADMM CC(C)CCNC(=O)C1CCN(C(=O)CN2CCSC[C@H]2CC(=O)[O-])CC1 ZINC000826855246 601890155 /nfs/dbraw/zinc/89/01/55/601890155.db2.gz LVGHTAOITKHLCY-MRXNPFEDSA-N -1 1 399.557 1.279 20 0 GDADMM CN(CCCOc1ccc(F)cc1)C(=O)CN1CCSC[C@@H]1CC(=O)[O-] ZINC000830776940 601894874 /nfs/dbraw/zinc/89/48/74/601894874.db2.gz COZFVJLQQQXELG-HNNXBMFYSA-N -1 1 384.473 1.945 20 0 GDADMM CN1CCN(c2ncccc2CNC(=O)[C@H](Cc2ccccc2)NC(=O)[O-])CC1 ZINC000739735922 601917084 /nfs/dbraw/zinc/91/70/84/601917084.db2.gz GTTWUOYERZJUFY-SFHVURJKSA-N -1 1 397.479 1.329 20 0 GDADMM CCN(Cc1ccc2c(c1)OCCO2)C(=O)CN1CCSC[C@@H]1CC(=O)[O-] ZINC000829723052 601922161 /nfs/dbraw/zinc/92/21/61/601922161.db2.gz YRVYMJJWXNZWQX-HNNXBMFYSA-N -1 1 394.493 1.698 20 0 GDADMM CC(=O)N1CCC(NC(=O)CN2CCCC[C@@H]2[C@H]2CCCN2C(=O)[O-])CC1 ZINC000738520762 601928265 /nfs/dbraw/zinc/92/82/65/601928265.db2.gz HLJBNWCSNOMWLP-IAGOWNOFSA-N -1 1 380.489 1.110 20 0 GDADMM Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CN1CC[C@H](CNC(=O)[O-])C1 ZINC000740245227 601940335 /nfs/dbraw/zinc/94/03/35/601940335.db2.gz YRVWTILMYPAVQI-MRXNPFEDSA-N -1 1 385.468 1.695 20 0 GDADMM Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN1CC[C@@H](CNC(=O)[O-])C1 ZINC000740253097 601948215 /nfs/dbraw/zinc/94/82/15/601948215.db2.gz NYPKIQUCDXFNGL-SFHVURJKSA-N -1 1 399.495 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SUERNPWNACHYQE-NHYWBVRUSA-N -1 1 378.381 1.356 20 0 GDADMM COc1ccc(C(=O)N2CCN(CC3CCN(C(=O)[O-])CC3)CC2)c(OC)c1 ZINC000739882038 602257975 /nfs/dbraw/zinc/25/79/75/602257975.db2.gz HOMCENZXJKNAOS-UHFFFAOYSA-N -1 1 391.468 1.852 20 0 GDADMM COc1ccc(CN2CCCN(C(=O)COC(=O)[C@H](C)CC(=O)[O-])CC2)cc1 ZINC000832314865 602283167 /nfs/dbraw/zinc/28/31/67/602283167.db2.gz PUWZPBTVBPUAOS-OAHLLOKOSA-N -1 1 392.452 1.384 20 0 GDADMM Cn1cc(NC(=O)N2CCO[C@H](c3n[nH]c(C(C)(C)C)n3)C2)cc1C(=O)[O-] ZINC000833049195 602355339 /nfs/dbraw/zinc/35/53/39/602355339.db2.gz RUKAOLDDKAXMES-LBPRGKRZSA-N -1 1 376.417 1.744 20 0 GDADMM Cn1cc(NC(=O)N2CCO[C@H](c3nnc(C(C)(C)C)[nH]3)C2)cc1C(=O)[O-] ZINC000833049195 602355340 /nfs/dbraw/zinc/35/53/40/602355340.db2.gz RUKAOLDDKAXMES-LBPRGKRZSA-N -1 1 376.417 1.744 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@@H](O)c1ccncc1 ZINC000826340658 607562157 /nfs/dbraw/zinc/56/21/57/607562157.db2.gz GSMVCIHHHVWXOU-CYBMUJFWSA-N -1 1 379.380 1.417 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@@H](O)c1ccncc1 ZINC000826340658 607562158 /nfs/dbraw/zinc/56/21/58/607562158.db2.gz GSMVCIHHHVWXOU-CYBMUJFWSA-N -1 1 379.380 1.417 20 0 GDADMM C[C@H]1CN(Cc2ccc(CNC(=O)[C@H]3CSCN3C(=O)[O-])cc2)C[C@H](C)O1 ZINC000739187782 602389728 /nfs/dbraw/zinc/38/97/28/602389728.db2.gz ILRKTWUQVGADKF-GRDNDAEWSA-N -1 1 393.509 1.965 20 0 GDADMM CN(C[C@H]1CCN(CC(=O)NCC2(c3ccccc3)CCOCC2)C1)C(=O)[O-] ZINC000739660659 602528200 /nfs/dbraw/zinc/52/82/00/602528200.db2.gz KKHQIKGQQYGSTM-QGZVFWFLSA-N -1 1 389.496 1.783 20 0 GDADMM COC(=O)Nc1ccc(CNC(=O)CN2CC[C@H](CN(C)C(=O)[O-])C2)cc1 ZINC000739781650 602528450 /nfs/dbraw/zinc/52/84/50/602528450.db2.gz SNZUOVYXFFTRBC-CQSZACIVSA-N -1 1 378.429 1.413 20 0 GDADMM CN(C[C@@H]1CCN(CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1)C(=O)[O-] ZINC000739661779 602531086 /nfs/dbraw/zinc/53/10/86/602531086.db2.gz XSGXESOHHTZKBS-HNNXBMFYSA-N -1 1 378.448 1.406 20 0 GDADMM CN(C[C@@H]1CCN(CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C1)C(=O)[O-] ZINC000739662242 602543486 /nfs/dbraw/zinc/54/34/86/602543486.db2.gz XVCLWIAVNNKCGQ-YOEHRIQHSA-N -1 1 379.432 1.657 20 0 GDADMM O=C([O-])NCCNC(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000740663037 602545474 /nfs/dbraw/zinc/54/54/74/602545474.db2.gz MAHWMNGEUODCBC-UHFFFAOYSA-N -1 1 383.880 1.419 20 0 GDADMM C[C@H](CCNC(=O)N[C@@H](CN1CCN(C)CC1)c1ccccc1)NC(=O)[O-] ZINC000738903748 602556991 /nfs/dbraw/zinc/55/69/91/602556991.db2.gz IWPWGDCLPWXUIY-WBVHZDCISA-N -1 1 377.489 1.321 20 0 GDADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)NC[C@@H]1CCCCN1C(=O)[O-] ZINC000740028039 602570850 /nfs/dbraw/zinc/57/08/50/602570850.db2.gz BNOQZJXAHGSZLL-LBPRGKRZSA-N -1 1 386.412 1.139 20 0 GDADMM O=C([O-])N1CCC[C@@H]1CNC(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000740368424 602576728 /nfs/dbraw/zinc/57/67/28/602576728.db2.gz VBXQCLQPXGLBNR-LLVKDONJSA-N -1 1 376.438 1.334 20 0 GDADMM CCOC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825498793 607576513 /nfs/dbraw/zinc/57/65/13/607576513.db2.gz CQAXAWYGPAJWLE-LBPRGKRZSA-N -1 1 399.860 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ZINC000826304595 607585651 /nfs/dbraw/zinc/58/56/51/607585651.db2.gz RBXYKAOJEQOQFW-UHFFFAOYSA-N -1 1 387.421 1.645 20 0 GDADMM O=C([O-])N(CC(=O)NC1CCN(Cc2ccncc2)CC1)C[C@H]1CCCO1 ZINC000740362417 602853294 /nfs/dbraw/zinc/85/32/94/602853294.db2.gz FPFLNPRYABPQBW-QGZVFWFLSA-N -1 1 376.457 1.321 20 0 GDADMM O=S(=O)(N[C@H]1CCC[C@H](O)C1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826488793 607591098 /nfs/dbraw/zinc/59/10/98/607591098.db2.gz ZICGPRJPBAVSJO-UWVGGRQHSA-N -1 1 391.375 1.467 20 0 GDADMM Cc1ccc(C(=O)N2CCO[C@H](CN3CCN(C)CC3)C2)cc1NC(=O)[O-] ZINC000830198814 602868712 /nfs/dbraw/zinc/86/87/12/602868712.db2.gz OYNVJPWDQGOIBJ-MRXNPFEDSA-N -1 1 376.457 1.173 20 0 GDADMM COc1ccc2c(CN(C)CCN3CCN(C(=O)[O-])CC3)cc(=O)oc2c1 ZINC000739935957 602870877 /nfs/dbraw/zinc/87/08/77/602870877.db2.gz ZEORGUAIEAUPSR-UHFFFAOYSA-N -1 1 375.425 1.529 20 0 GDADMM CCOC(=O)CCCCCCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825506203 607592027 /nfs/dbraw/zinc/59/20/27/607592027.db2.gz HPXQTSANOZQHFI-UHFFFAOYSA-N -1 1 399.448 1.798 20 0 GDADMM CCOC(=O)CCCCCCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825506203 607592029 /nfs/dbraw/zinc/59/20/29/607592029.db2.gz HPXQTSANOZQHFI-UHFFFAOYSA-N -1 1 399.448 1.798 20 0 GDADMM CCN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825444809 607597571 /nfs/dbraw/zinc/59/75/71/607597571.db2.gz RLPFLARKYWRSTM-UHFFFAOYSA-N -1 1 381.849 1.464 20 0 GDADMM CN(C[C@@H]1CCCN(C(=O)CCN2CCN(c3ccccn3)CC2)C1)C(=O)[O-] ZINC000739634243 602974295 /nfs/dbraw/zinc/97/42/95/602974295.db2.gz OSHBCFGZFUJISB-KRWDZBQOSA-N -1 1 389.500 1.442 20 0 GDADMM O=C([O-])N1CCCC[C@H](NC(=O)N2CCC(CCN3CCOCC3)CC2)C1 ZINC000740519592 602974876 /nfs/dbraw/zinc/97/48/76/602974876.db2.gz OHXCAAOFBXIPLO-KRWDZBQOSA-N -1 1 382.505 1.663 20 0 GDADMM CN(CCc1ccncc1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825946343 607600638 /nfs/dbraw/zinc/60/06/38/607600638.db2.gz UAOTVEAGNDFLMG-UHFFFAOYSA-N -1 1 378.845 1.778 20 0 GDADMM O=C([O-])N1CCN(CC(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)C(=O)C1 ZINC000740371444 603018285 /nfs/dbraw/zinc/01/82/85/603018285.db2.gz YGZVIKNVJQZQQZ-UHFFFAOYSA-N -1 1 383.364 1.584 20 0 GDADMM CC[C@H]1Nc2ccc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)cc2NC1=O ZINC000825219842 607605257 /nfs/dbraw/zinc/60/52/57/607605257.db2.gz MPVGFDOZJJAYTA-GFCCVEGCSA-N -1 1 379.380 1.761 20 0 GDADMM CC[C@H]1Nc2ccc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)cc2NC1=O ZINC000825219842 607605258 /nfs/dbraw/zinc/60/52/58/607605258.db2.gz MPVGFDOZJJAYTA-GFCCVEGCSA-N -1 1 379.380 1.761 20 0 GDADMM O=C([O-])N1CCC(n2cc(C(=O)Nc3cccc(-c4nnc[nH]4)c3)nn2)CC1 ZINC000740469229 603119805 /nfs/dbraw/zinc/11/98/05/603119805.db2.gz LGZLWHREAZMSKC-UHFFFAOYSA-N -1 1 382.384 1.630 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000826466993 607609870 /nfs/dbraw/zinc/60/98/70/607609870.db2.gz CGNCROJAADRJFI-QGZVFWFLSA-N -1 1 380.408 1.206 20 0 GDADMM COCc1cc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)ccc1F ZINC000826164256 607611902 /nfs/dbraw/zinc/61/19/02/607611902.db2.gz MDMNJURQEHEZNL-UHFFFAOYSA-N -1 1 395.391 1.770 20 0 GDADMM COCc1cc(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)ccc1F ZINC000826164256 607611903 /nfs/dbraw/zinc/61/19/03/607611903.db2.gz MDMNJURQEHEZNL-UHFFFAOYSA-N -1 1 395.391 1.770 20 0 GDADMM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000739206272 603192430 /nfs/dbraw/zinc/19/24/30/603192430.db2.gz YGPQXPDMJHFBEY-NOZJJQNGSA-N -1 1 377.376 1.730 20 0 GDADMM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000739206272 603192433 /nfs/dbraw/zinc/19/24/33/603192433.db2.gz YGPQXPDMJHFBEY-NOZJJQNGSA-N -1 1 377.376 1.730 20 0 GDADMM CC(C)(C)[S@](=O)CCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824123323 607617732 /nfs/dbraw/zinc/61/77/32/607617732.db2.gz DYXYWXCMWAAOFH-HSZRJFAPSA-N -1 1 391.906 1.346 20 0 GDADMM CC(C)(C)[S@](=O)CCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824123323 607617733 /nfs/dbraw/zinc/61/77/33/607617733.db2.gz DYXYWXCMWAAOFH-HSZRJFAPSA-N -1 1 391.906 1.346 20 0 GDADMM CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C[C@H]1CCN(C(=O)[O-])C1 ZINC000739627276 603321994 /nfs/dbraw/zinc/32/19/94/603321994.db2.gz MYBJSXWLXVKWIJ-OAHLLOKOSA-N -1 1 376.457 1.393 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@@H]1Cn1cccn1 ZINC000826495379 607622171 /nfs/dbraw/zinc/62/21/71/607622171.db2.gz NOZCNLLUCSYFKN-GFCCVEGCSA-N -1 1 377.405 1.056 20 0 GDADMM COc1cc(CNS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)ccc1O ZINC000826179662 607623856 /nfs/dbraw/zinc/62/38/56/607623856.db2.gz YIFKNRKGQICRJX-UHFFFAOYSA-N -1 1 395.828 1.713 20 0 GDADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000740079250 603384229 /nfs/dbraw/zinc/38/42/29/603384229.db2.gz HMZOPUZXVYHWBG-KRWDZBQOSA-N -1 1 390.484 1.844 20 0 GDADMM O=S(=O)(NC[C@@H](O)c1ccc(Cl)cc1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826489104 607627195 /nfs/dbraw/zinc/62/71/95/607627195.db2.gz HSNXYSLSTCCFGJ-CYBMUJFWSA-N -1 1 397.819 1.671 20 0 GDADMM COC(=O)[C@]1(NC(=O)CC(C)(C)NC(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000828624347 603444773 /nfs/dbraw/zinc/44/47/73/603444773.db2.gz NPUSRKJHRSNZLG-FQEVSTJZSA-N -1 1 391.468 1.747 20 0 GDADMM CCCc1nnc([C@@H]2CN(C(=O)NC[C@@H]3CCCCN3C(=O)[O-])CCO2)[nH]1 ZINC000826953083 603492491 /nfs/dbraw/zinc/49/24/91/603492491.db2.gz BIEQSKMGXSLIDV-STQMWFEESA-N -1 1 380.449 1.373 20 0 GDADMM CCCc1n[nH]c([C@@H]2CN(C(=O)NC[C@@H]3CCCCN3C(=O)[O-])CCO2)n1 ZINC000826953083 603492493 /nfs/dbraw/zinc/49/24/93/603492493.db2.gz BIEQSKMGXSLIDV-STQMWFEESA-N -1 1 380.449 1.373 20 0 GDADMM CCCc1nnc([C@@H]2CN(C(=O)N[C@H]3CCCCN(C(=O)[O-])C3)CCO2)[nH]1 ZINC000826954325 603524099 /nfs/dbraw/zinc/52/40/99/603524099.db2.gz PVHRPEMXYRZVCO-STQMWFEESA-N -1 1 380.449 1.373 20 0 GDADMM CCCc1n[nH]c([C@@H]2CN(C(=O)N[C@H]3CCCCN(C(=O)[O-])C3)CCO2)n1 ZINC000826954325 603524100 /nfs/dbraw/zinc/52/41/00/603524100.db2.gz PVHRPEMXYRZVCO-STQMWFEESA-N -1 1 380.449 1.373 20 0 GDADMM C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)[C@H](O)c1ccc(F)cc1 ZINC000824641610 607636434 /nfs/dbraw/zinc/63/64/34/607636434.db2.gz XKWZATJNHCCMEJ-PSLIRLAXSA-N -1 1 395.391 1.545 20 0 GDADMM C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)[C@H](O)c1ccc(F)cc1 ZINC000824641610 607636435 /nfs/dbraw/zinc/63/64/35/607636435.db2.gz XKWZATJNHCCMEJ-PSLIRLAXSA-N -1 1 395.391 1.545 20 0 GDADMM O=C([O-])NC[C@H]1CCCN1CC(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000832572511 603575585 /nfs/dbraw/zinc/57/55/85/603575585.db2.gz CBSWFHFHHHXYSL-QGZVFWFLSA-N -1 1 392.525 1.906 20 0 GDADMM O=S(=O)(N[C@H](CO)c1c(F)cccc1F)c1cccc(F)c1-c1nnn[n-]1 ZINC000826487037 607638287 /nfs/dbraw/zinc/63/82/87/607638287.db2.gz AYQNGUSGXXJYRW-LLVKDONJSA-N -1 1 399.354 1.296 20 0 GDADMM O=S(=O)(N[C@H](CO)c1c(F)cccc1F)c1cccc(F)c1-c1nn[n-]n1 ZINC000826487037 607638289 /nfs/dbraw/zinc/63/82/89/607638289.db2.gz AYQNGUSGXXJYRW-LLVKDONJSA-N -1 1 399.354 1.296 20 0 GDADMM COc1ccccc1[C@H](NC(=O)[O-])C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000829605197 603584431 /nfs/dbraw/zinc/58/44/31/603584431.db2.gz WGSAFNLWMDGWDS-PBHICJAKSA-N -1 1 377.441 1.185 20 0 GDADMM CN(CC(=O)NC(=O)Nc1ccc2c(c1)OCO2)CC(C)(C)CNC(=O)[O-] ZINC000828103114 603629008 /nfs/dbraw/zinc/62/90/08/603629008.db2.gz ZSEDHORPTSXHMT-UHFFFAOYSA-N -1 1 380.401 1.289 20 0 GDADMM COc1ccc([C@H](CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])N2CCCCC2)cc1 ZINC000829311372 603633530 /nfs/dbraw/zinc/63/35/30/603633530.db2.gz NRMXLBQMUIRZFV-NJAFHUGGSA-N -1 1 391.468 1.452 20 0 GDADMM C[C@@H]1CN(Cc2ccc(CNC(=O)CC3CN(C(=O)[O-])C3)cc2)C[C@H](C)O1 ZINC000826059494 603655850 /nfs/dbraw/zinc/65/58/50/603655850.db2.gz VYJYLIPOFHUKBJ-GASCZTMLSA-N -1 1 375.469 1.912 20 0 GDADMM CN(Cc1ccccc1NC(=O)C(=O)N1CCC(c2cnc[nH]2)CC1)C(=O)[O-] ZINC000828387881 603674249 /nfs/dbraw/zinc/67/42/49/603674249.db2.gz KVGWGOKYFPNNAP-UHFFFAOYSA-N -1 1 385.424 1.864 20 0 GDADMM CC1(C)[C@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)[C@H]2CCCO[C@@H]21 ZINC000824788620 607646062 /nfs/dbraw/zinc/64/60/62/607646062.db2.gz BRXJHFZUGNNRSZ-FZQKWOKYSA-N -1 1 381.433 1.488 20 0 GDADMM CC1(C)[C@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)[C@H]2CCCO[C@@H]21 ZINC000824788620 607646064 /nfs/dbraw/zinc/64/60/64/607646064.db2.gz BRXJHFZUGNNRSZ-FZQKWOKYSA-N -1 1 381.433 1.488 20 0 GDADMM O=C([O-])NC[C@H]1CCCCN1C(=O)CCN1CCN(c2ccccn2)CC1 ZINC000832521339 603705120 /nfs/dbraw/zinc/70/51/20/603705120.db2.gz NQEWHXQRQATVME-MRXNPFEDSA-N -1 1 375.473 1.242 20 0 GDADMM C[C@@H](NC(=O)c1cccc(CN2CCN(C)CC2)c1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000825465986 603727309 /nfs/dbraw/zinc/72/73/09/603727309.db2.gz POYLDYZNXNWTGS-APWZRJJASA-N -1 1 388.512 1.942 20 0 GDADMM COc1ccc([C@H](CNC(=O)COC2CN(C(=O)[O-])C2)N2CCCCC2)cc1 ZINC000829312351 603741083 /nfs/dbraw/zinc/74/10/83/603741083.db2.gz UAGUAQHVOLUGNN-SFHVURJKSA-N -1 1 391.468 1.717 20 0 GDADMM Cc1nc([C@@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)no1 ZINC000826324904 607652994 /nfs/dbraw/zinc/65/29/94/607652994.db2.gz IDHXMWSVQXVUII-JTQLQIEISA-N -1 1 395.832 1.737 20 0 GDADMM Cc1nc([C@@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)no1 ZINC000826324904 607652996 /nfs/dbraw/zinc/65/29/96/607652996.db2.gz IDHXMWSVQXVUII-JTQLQIEISA-N -1 1 395.832 1.737 20 0 GDADMM C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)N1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000823677798 603840537 /nfs/dbraw/zinc/84/05/37/603840537.db2.gz OBWKMLFSCMVCQP-LSDHHAIUSA-N -1 1 376.457 1.113 20 0 GDADMM CCN(Cc1cccc(NC(=O)C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)c1)C(=O)[O-] ZINC000827166768 603909229 /nfs/dbraw/zinc/90/92/29/603909229.db2.gz GNLPHRBKYPMAFL-SUMWQHHRSA-N -1 1 388.468 1.724 20 0 GDADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)COC3CCOCC3)cc2)n1 ZINC000832730619 603910535 /nfs/dbraw/zinc/91/05/35/603910535.db2.gz WCKNVLKAMCFIIU-UHFFFAOYSA-N -1 1 375.385 1.373 20 0 GDADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)COC3CCOCC3)cc2)n[nH]1 ZINC000832730619 603910536 /nfs/dbraw/zinc/91/05/36/603910536.db2.gz WCKNVLKAMCFIIU-UHFFFAOYSA-N -1 1 375.385 1.373 20 0 GDADMM CC[C@@H]1CN(C(=O)C[C@@H](Cc2ccccc2)NC(=O)[O-])CCN1C[C@@H](C)O ZINC000826680260 603991159 /nfs/dbraw/zinc/99/11/59/603991159.db2.gz AHJMHSBMMAMOMY-KBAYOESNSA-N -1 1 377.485 1.559 20 0 GDADMM C[C@@H](NC(=O)Cn1c(=O)c2ccccc2[nH]c1=S)[C@H]1CCCN(C(=O)[O-])C1 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ZINC000820818910 606132515 /nfs/dbraw/zinc/13/25/15/606132515.db2.gz CLWLEKCKRANCTG-MRVPVSSYSA-N -1 1 399.388 1.687 20 0 GDADMM C[C@H]1Oc2ccc(C(=O)COC(=O)c3ccc(-c4nn[n-]n4)s3)cc2NC1=O ZINC000820818910 606132516 /nfs/dbraw/zinc/13/25/16/606132516.db2.gz CLWLEKCKRANCTG-MRVPVSSYSA-N -1 1 399.388 1.687 20 0 GDADMM CCOC(=O)[C@H](C)COC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821315365 606135668 /nfs/dbraw/zinc/13/56/68/606135668.db2.gz SSXUIRZRNYYBLD-SECBINFHSA-N -1 1 377.401 1.259 20 0 GDADMM COc1ccccc1CCNC(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821890712 606137606 /nfs/dbraw/zinc/13/76/06/606137606.db2.gz OPTWNCNKWQEZIK-UHFFFAOYSA-N -1 1 387.421 1.453 20 0 GDADMM COc1ccccc1CCNC(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821890712 606137608 /nfs/dbraw/zinc/13/76/08/606137608.db2.gz OPTWNCNKWQEZIK-UHFFFAOYSA-N -1 1 387.421 1.453 20 0 GDADMM CN(Cc1ccccc1F)C(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821614433 606139601 /nfs/dbraw/zinc/13/96/01/606139601.db2.gz FVYPMSQZHSYGJJ-UHFFFAOYSA-N -1 1 375.385 1.883 20 0 GDADMM CN(Cc1ccccc1F)C(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821614433 606139602 /nfs/dbraw/zinc/13/96/02/606139602.db2.gz FVYPMSQZHSYGJJ-UHFFFAOYSA-N -1 1 375.385 1.883 20 0 GDADMM Cc1nn(C)c(C)c1NC(=O)[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822491945 606139613 /nfs/dbraw/zinc/13/96/13/606139613.db2.gz KPIPSINOWNETDR-SECBINFHSA-N -1 1 375.414 1.463 20 0 GDADMM Cc1nn(C)c(C)c1NC(=O)[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822491945 606139614 /nfs/dbraw/zinc/13/96/14/606139614.db2.gz KPIPSINOWNETDR-SECBINFHSA-N -1 1 375.414 1.463 20 0 GDADMM C[C@H]1CN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C[C@H](c2ccc(F)cc2)O1 ZINC000820744521 606160801 /nfs/dbraw/zinc/16/08/01/606160801.db2.gz YIYSMPAIIYDTAO-IINYFYTJSA-N -1 1 386.391 1.733 20 0 GDADMM C[C@H]1CN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C[C@H](c2ccc(F)cc2)O1 ZINC000820744521 606160803 /nfs/dbraw/zinc/16/08/03/606160803.db2.gz YIYSMPAIIYDTAO-IINYFYTJSA-N -1 1 386.391 1.733 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCOc2ccccc2C(F)(F)F)n1 ZINC000822619630 606161878 /nfs/dbraw/zinc/16/18/78/606161878.db2.gz BROMTVPBIDYVQS-UHFFFAOYSA-N -1 1 396.333 1.820 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCOc2ccccc2C(F)(F)F)n1 ZINC000822619630 606161879 /nfs/dbraw/zinc/16/18/79/606161879.db2.gz BROMTVPBIDYVQS-UHFFFAOYSA-N -1 1 396.333 1.820 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC(C(=O)c3ccccc3)CC2)n1 ZINC000822604939 606162866 /nfs/dbraw/zinc/16/28/66/606162866.db2.gz REAUTCNIARJPRG-UHFFFAOYSA-N -1 1 380.412 1.727 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC(C(=O)c3ccccc3)CC2)n1 ZINC000822604939 606162868 /nfs/dbraw/zinc/16/28/68/606162868.db2.gz REAUTCNIARJPRG-UHFFFAOYSA-N -1 1 380.412 1.727 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCOc2ccc(C(F)(F)F)cc2)n1 ZINC000822620217 606163018 /nfs/dbraw/zinc/16/30/18/606163018.db2.gz MDYBEIFUTWGTPJ-UHFFFAOYSA-N -1 1 396.333 1.820 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCOc2ccc(C(F)(F)F)cc2)n1 ZINC000822620217 606163020 /nfs/dbraw/zinc/16/30/20/606163020.db2.gz MDYBEIFUTWGTPJ-UHFFFAOYSA-N -1 1 396.333 1.820 20 0 GDADMM CC(C)C(=O)Nc1ccc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000820011818 606165026 /nfs/dbraw/zinc/16/50/26/606165026.db2.gz QPIXZLJECWEHIH-UHFFFAOYSA-N -1 1 383.416 1.516 20 0 GDADMM CC(C)C(=O)Nc1ccc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000820011818 606165028 /nfs/dbraw/zinc/16/50/28/606165028.db2.gz QPIXZLJECWEHIH-UHFFFAOYSA-N -1 1 383.416 1.516 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)n1 ZINC000822609796 606168832 /nfs/dbraw/zinc/16/88/32/606168832.db2.gz VJGQJKNKNVFTQC-KGLIPLIRSA-N -1 1 386.391 1.781 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)n1 ZINC000822609796 606168833 /nfs/dbraw/zinc/16/88/33/606168833.db2.gz VJGQJKNKNVFTQC-KGLIPLIRSA-N -1 1 386.391 1.781 20 0 GDADMM COc1ccc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1OC(F)F ZINC000821798572 606171249 /nfs/dbraw/zinc/17/12/49/606171249.db2.gz GBCOOHNTGUTQEI-UHFFFAOYSA-N -1 1 394.342 1.532 20 0 GDADMM COc1ccc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1OC(F)F ZINC000821798572 606171250 /nfs/dbraw/zinc/17/12/50/606171250.db2.gz GBCOOHNTGUTQEI-UHFFFAOYSA-N -1 1 394.342 1.532 20 0 GDADMM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cn1cccc(-c2nn[n-]n2)c1=O ZINC000821609733 606176639 /nfs/dbraw/zinc/17/66/39/606176639.db2.gz JPEMCVCTAHDRLL-UHFFFAOYSA-N -1 1 393.234 1.994 20 0 GDADMM C[C@@H](C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1)C1CC1 ZINC000819884249 606226667 /nfs/dbraw/zinc/22/66/67/606226667.db2.gz VGYYWPWAIYVHEN-LLVKDONJSA-N -1 1 381.396 1.580 20 0 GDADMM C[C@@H](C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1)C1CC1 ZINC000819884249 606226668 /nfs/dbraw/zinc/22/66/68/606226668.db2.gz VGYYWPWAIYVHEN-LLVKDONJSA-N -1 1 381.396 1.580 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC[C@@H](CCO)CC(C)C)cc1-c1nn[n-]n1 ZINC000821976702 606290673 /nfs/dbraw/zinc/29/06/73/606290673.db2.gz CTMODKCUJDNJRD-JTQLQIEISA-N -1 1 380.474 1.464 20 0 GDADMM COc1ccc(C(=O)NCCCC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1 ZINC000821772553 606293868 /nfs/dbraw/zinc/29/38/68/606293868.db2.gz FNUXDPGIFMVMGS-UHFFFAOYSA-N -1 1 396.407 1.730 20 0 GDADMM O=C(Nc1cccc(OCCn2cncn2)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823368526 606514286 /nfs/dbraw/zinc/51/42/86/606514286.db2.gz ZSKLLGUKBXOFIK-UHFFFAOYSA-N -1 1 382.409 1.851 20 0 GDADMM O=C(Nc1cccc(OCCn2cncn2)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823368526 606514287 /nfs/dbraw/zinc/51/42/87/606514287.db2.gz ZSKLLGUKBXOFIK-UHFFFAOYSA-N -1 1 382.409 1.851 20 0 GDADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1cccc(NS(C)(=O)=O)c1 ZINC000820390102 606525714 /nfs/dbraw/zinc/52/57/14/606525714.db2.gz FEIIWAOKIZJCLS-VIFPVBQESA-N -1 1 392.466 1.791 20 0 GDADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1cccc(NS(C)(=O)=O)c1 ZINC000820390102 606525716 /nfs/dbraw/zinc/52/57/16/606525716.db2.gz FEIIWAOKIZJCLS-VIFPVBQESA-N -1 1 392.466 1.791 20 0 GDADMM COCCC(C)(C)NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000821685576 606525794 /nfs/dbraw/zinc/52/57/94/606525794.db2.gz JAUOAAHQMCZPFO-UHFFFAOYSA-N -1 1 386.460 1.390 20 0 GDADMM COCCC(C)(C)NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000821685576 606525795 /nfs/dbraw/zinc/52/57/95/606525795.db2.gz JAUOAAHQMCZPFO-UHFFFAOYSA-N -1 1 386.460 1.390 20 0 GDADMM Cc1ccc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)cc1NC(=O)c1ccco1 ZINC000822226370 606530935 /nfs/dbraw/zinc/53/09/35/606530935.db2.gz PCBQDCAJDDKMFW-UHFFFAOYSA-N -1 1 378.352 1.996 20 0 GDADMM Cc1ccc(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)cc1NC(=O)c1ccco1 ZINC000822226370 606530936 /nfs/dbraw/zinc/53/09/36/606530936.db2.gz PCBQDCAJDDKMFW-UHFFFAOYSA-N -1 1 378.352 1.996 20 0 GDADMM CN(C)C(=O)c1cc([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)ccc1F ZINC000821578152 606590772 /nfs/dbraw/zinc/59/07/72/606590772.db2.gz PXRZMLUGJFZEBM-UHFFFAOYSA-N -1 1 390.400 1.508 20 0 GDADMM CC(C)[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1nnc2ccccn21 ZINC000820025845 606595404 /nfs/dbraw/zinc/59/54/04/606595404.db2.gz DIKNMLJBMLPSLI-LBPRGKRZSA-N -1 1 381.404 1.162 20 0 GDADMM CC(C)[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1nnc2ccccn21 ZINC000820025845 606595406 /nfs/dbraw/zinc/59/54/06/606595406.db2.gz DIKNMLJBMLPSLI-LBPRGKRZSA-N -1 1 381.404 1.162 20 0 GDADMM Cc1cccnc1C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000822366616 606627171 /nfs/dbraw/zinc/62/71/71/606627171.db2.gz PNNLFMSYAKFSIL-UHFFFAOYSA-N -1 1 380.412 1.398 20 0 GDADMM CCCS(=O)(=O)c1ccccc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821138558 606647774 /nfs/dbraw/zinc/64/77/74/606647774.db2.gz BFENXCZMWNFSHO-UHFFFAOYSA-N -1 1 387.421 1.802 20 0 GDADMM CCCS(=O)(=O)c1ccccc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821138558 606647775 /nfs/dbraw/zinc/64/77/75/606647775.db2.gz BFENXCZMWNFSHO-UHFFFAOYSA-N -1 1 387.421 1.802 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)n1 ZINC000822613111 606697264 /nfs/dbraw/zinc/69/72/64/606697264.db2.gz AQKLBUCOZQAWSP-SECBINFHSA-N -1 1 389.370 1.279 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)n1 ZINC000822613111 606697265 /nfs/dbraw/zinc/69/72/65/606697265.db2.gz AQKLBUCOZQAWSP-SECBINFHSA-N -1 1 389.370 1.279 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=S)Nc1ccc(F)cc1 ZINC000820788906 606764469 /nfs/dbraw/zinc/76/44/69/606764469.db2.gz RAEJDBUMNHGXSA-NSHDSACASA-N -1 1 399.459 1.703 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=S)Nc1ccc(F)cc1 ZINC000820788906 606764471 /nfs/dbraw/zinc/76/44/71/606764471.db2.gz RAEJDBUMNHGXSA-NSHDSACASA-N -1 1 399.459 1.703 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=S)NCc1ccccc1 ZINC000820788486 606764927 /nfs/dbraw/zinc/76/49/27/606764927.db2.gz ICOIFEKSJIOXPQ-ZDUSSCGKSA-N -1 1 395.496 1.242 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=S)NCc1ccccc1 ZINC000820788486 606764929 /nfs/dbraw/zinc/76/49/29/606764929.db2.gz ICOIFEKSJIOXPQ-ZDUSSCGKSA-N -1 1 395.496 1.242 20 0 GDADMM CCCn1nccc1NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821149386 606767761 /nfs/dbraw/zinc/76/77/61/606767761.db2.gz XTMYXPLQCSWSEA-GFCCVEGCSA-N -1 1 397.447 1.006 20 0 GDADMM CCCn1nccc1NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821149386 606767763 /nfs/dbraw/zinc/76/77/63/606767763.db2.gz XTMYXPLQCSWSEA-GFCCVEGCSA-N -1 1 397.447 1.006 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCc1ccc(F)cc1 ZINC000820788900 606767835 /nfs/dbraw/zinc/76/78/35/606767835.db2.gz QUGSBEXFYDGLPM-LBPRGKRZSA-N -1 1 397.418 1.216 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCc1ccc(F)cc1 ZINC000820788900 606767837 /nfs/dbraw/zinc/76/78/37/606767837.db2.gz QUGSBEXFYDGLPM-LBPRGKRZSA-N -1 1 397.418 1.216 20 0 GDADMM Cc1ccc(CCNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)o1 ZINC000822236074 606787727 /nfs/dbraw/zinc/78/77/27/606787727.db2.gz IRFZBQDGJZERQR-LBPRGKRZSA-N -1 1 397.443 1.021 20 0 GDADMM Cc1ccc(CCNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)o1 ZINC000822236074 606787729 /nfs/dbraw/zinc/78/77/29/606787729.db2.gz IRFZBQDGJZERQR-LBPRGKRZSA-N -1 1 397.443 1.021 20 0 GDADMM COC(=O)CN(C1CCCC1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821662569 606793243 /nfs/dbraw/zinc/79/32/43/606793243.db2.gz IYJKTQWBNWIQMA-UHFFFAOYSA-N -1 1 383.405 1.112 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NC1C(C)(C)C1(C)C ZINC000820788580 606793978 /nfs/dbraw/zinc/79/39/78/606793978.db2.gz JWFYIJIAEYOOBJ-NSHDSACASA-N -1 1 385.476 1.311 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NC1C(C)(C)C1(C)C ZINC000820788580 606793980 /nfs/dbraw/zinc/79/39/80/606793980.db2.gz JWFYIJIAEYOOBJ-NSHDSACASA-N -1 1 385.476 1.311 20 0 GDADMM C[C@H]1CC(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)C[C@H](C)C1 ZINC000820649381 606793984 /nfs/dbraw/zinc/79/39/84/606793984.db2.gz LHEKHFISUUKWFX-MGPQQGTHSA-N -1 1 399.503 1.702 20 0 GDADMM C[C@H]1CC(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)C[C@H](C)C1 ZINC000820649381 606793986 /nfs/dbraw/zinc/79/39/86/606793986.db2.gz LHEKHFISUUKWFX-MGPQQGTHSA-N -1 1 399.503 1.702 20 0 GDADMM CCc1nn(Cc2cc(C(=O)OC)sc2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000821516804 606794636 /nfs/dbraw/zinc/79/46/36/606794636.db2.gz CFLPFXYDFJJKDH-UHFFFAOYSA-N -1 1 388.453 1.753 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1ccnc(C(C)(C)C)n1 ZINC000820804411 606807560 /nfs/dbraw/zinc/80/75/60/606807560.db2.gz RVYYEPYZXSBLPJ-LBPRGKRZSA-N -1 1 380.460 1.459 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1ccnc(C(C)(C)C)n1 ZINC000820804411 606807562 /nfs/dbraw/zinc/80/75/62/606807562.db2.gz RVYYEPYZXSBLPJ-LBPRGKRZSA-N -1 1 380.460 1.459 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@H]2COCC[C@H]21 ZINC000822005158 606817285 /nfs/dbraw/zinc/81/72/85/606817285.db2.gz PBUSVIPJELZRNR-DZGCQCFKSA-N -1 1 386.456 1.544 20 0 GDADMM Cc1noc(C)c1[C@H](C)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000822519653 606820764 /nfs/dbraw/zinc/82/07/64/606820764.db2.gz KHBCCPARGWNPCV-MNOVXSKESA-N -1 1 397.443 1.102 20 0 GDADMM Cc1noc(C)c1[C@H](C)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000822519653 606820766 /nfs/dbraw/zinc/82/07/66/606820766.db2.gz KHBCCPARGWNPCV-MNOVXSKESA-N -1 1 397.443 1.102 20 0 GDADMM C[C@@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)c1cccs1 ZINC000819857630 606821150 /nfs/dbraw/zinc/82/11/50/606821150.db2.gz SZAGKJSDDHCHDV-NWDGAFQWSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)c1cccs1 ZINC000819857630 606821151 /nfs/dbraw/zinc/82/11/51/606821151.db2.gz SZAGKJSDDHCHDV-NWDGAFQWSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CC[C@@H]1CCCCO1 ZINC000820778495 606821826 /nfs/dbraw/zinc/82/18/26/606821826.db2.gz XSRQCAIQMFJHLR-KBPBESRZSA-N -1 1 386.460 1.043 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CC[C@@H]1CCCCO1 ZINC000820778495 606821827 /nfs/dbraw/zinc/82/18/27/606821827.db2.gz XSRQCAIQMFJHLR-KBPBESRZSA-N -1 1 386.460 1.043 20 0 GDADMM C[C@H](CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)n1cccc1 ZINC000820778401 606821981 /nfs/dbraw/zinc/82/19/81/606821981.db2.gz WGGQODHTAIAKFS-ZIAGYGMSSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@H](CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)n1cccc1 ZINC000820778401 606821983 /nfs/dbraw/zinc/82/19/83/606821983.db2.gz WGGQODHTAIAKFS-ZIAGYGMSSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H](Oc1ccccc1)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820535140 606823124 /nfs/dbraw/zinc/82/31/24/606823124.db2.gz NYOONWRXPZDWKW-ZIAGYGMSSA-N -1 1 394.439 1.161 20 0 GDADMM C[C@@H](Oc1ccccc1)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820535140 606823126 /nfs/dbraw/zinc/82/31/26/606823126.db2.gz NYOONWRXPZDWKW-ZIAGYGMSSA-N -1 1 394.439 1.161 20 0 GDADMM CCc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cc1 ZINC000821475819 606825532 /nfs/dbraw/zinc/82/55/32/606825532.db2.gz ALOAEQHEQTVXGC-CYBMUJFWSA-N -1 1 378.440 1.570 20 0 GDADMM CCc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cc1 ZINC000821475819 606825533 /nfs/dbraw/zinc/82/55/33/606825533.db2.gz ALOAEQHEQTVXGC-CYBMUJFWSA-N -1 1 378.440 1.570 20 0 GDADMM CCCCSCCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821077967 606825689 /nfs/dbraw/zinc/82/56/89/606825689.db2.gz YWUHZLQXVXVLEB-ZDUSSCGKSA-N -1 1 390.517 1.617 20 0 GDADMM CCCCSCCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821077967 606825691 /nfs/dbraw/zinc/82/56/91/606825691.db2.gz YWUHZLQXVXVLEB-ZDUSSCGKSA-N -1 1 390.517 1.617 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc(Cl)nc1 ZINC000820788598 606829784 /nfs/dbraw/zinc/82/97/84/606829784.db2.gz KDMBHXINJZYNNJ-SNVBAGLBSA-N -1 1 385.819 1.056 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc(Cl)nc1 ZINC000820788598 606829786 /nfs/dbraw/zinc/82/97/86/606829786.db2.gz KDMBHXINJZYNNJ-SNVBAGLBSA-N -1 1 385.819 1.056 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc(Cl)nc1 ZINC000820788597 606829948 /nfs/dbraw/zinc/82/99/48/606829948.db2.gz KDMBHXINJZYNNJ-JTQLQIEISA-N -1 1 385.819 1.056 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc(Cl)nc1 ZINC000820788597 606829949 /nfs/dbraw/zinc/82/99/49/606829949.db2.gz KDMBHXINJZYNNJ-JTQLQIEISA-N -1 1 385.819 1.056 20 0 GDADMM Cc1ccc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c(F)c1 ZINC000822248379 606832265 /nfs/dbraw/zinc/83/22/65/606832265.db2.gz CKLYQEAZUIXCBZ-LBPRGKRZSA-N -1 1 397.418 1.847 20 0 GDADMM Cc1ccc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c(F)c1 ZINC000822248379 606832268 /nfs/dbraw/zinc/83/22/68/606832268.db2.gz CKLYQEAZUIXCBZ-LBPRGKRZSA-N -1 1 397.418 1.847 20 0 GDADMM C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820690734 606835492 /nfs/dbraw/zinc/83/54/92/606835492.db2.gz RAFIMVLOCVTIIL-LJISPDSOSA-N -1 1 399.503 1.702 20 0 GDADMM C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820690734 606835493 /nfs/dbraw/zinc/83/54/93/606835493.db2.gz RAFIMVLOCVTIIL-LJISPDSOSA-N -1 1 399.503 1.702 20 0 GDADMM COc1ccc(OC(F)F)c(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC000821838740 606836420 /nfs/dbraw/zinc/83/64/20/606836420.db2.gz OZOQLNMHRIFRAZ-UHFFFAOYSA-N -1 1 394.342 1.532 20 0 GDADMM COc1ccc(OC(F)F)c(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC000821838740 606836422 /nfs/dbraw/zinc/83/64/22/606836422.db2.gz OZOQLNMHRIFRAZ-UHFFFAOYSA-N -1 1 394.342 1.532 20 0 GDADMM CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821001368 606840444 /nfs/dbraw/zinc/84/04/44/606840444.db2.gz QUOZQWDFIQWCNN-BJTBTHHMSA-N -1 1 388.453 1.563 20 0 GDADMM CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821001368 606840446 /nfs/dbraw/zinc/84/04/46/606840446.db2.gz QUOZQWDFIQWCNN-BJTBTHHMSA-N -1 1 388.453 1.563 20 0 GDADMM CO[C@@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1Cl ZINC000821676637 606874984 /nfs/dbraw/zinc/87/49/84/606874984.db2.gz CUEBBJZHEGCHJW-AWEZNQCLSA-N -1 1 394.844 1.581 20 0 GDADMM CO[C@@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1Cl ZINC000821676637 606874986 /nfs/dbraw/zinc/87/49/86/606874986.db2.gz CUEBBJZHEGCHJW-AWEZNQCLSA-N -1 1 394.844 1.581 20 0 GDADMM COc1cccc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)c1 ZINC000821867614 606882773 /nfs/dbraw/zinc/88/27/73/606882773.db2.gz FYJCHBJSNMWTFH-UHFFFAOYSA-N -1 1 381.364 1.632 20 0 GDADMM COCc1ccccc1C[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821695877 606884842 /nfs/dbraw/zinc/88/48/42/606884842.db2.gz LQOIAAGWIRWSPA-UHFFFAOYSA-N -1 1 395.391 1.770 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@@]1(C)CCCS1 ZINC000822004277 606954839 /nfs/dbraw/zinc/95/48/39/606954839.db2.gz DVQUOECBWZRQCL-QGZVFWFLSA-N -1 1 376.486 1.919 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000823605759 607007214 /nfs/dbraw/zinc/00/72/14/607007214.db2.gz AUQRCBPDVQOAST-MEDUHNTESA-N -1 1 397.888 1.836 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000823605759 607007216 /nfs/dbraw/zinc/00/72/16/607007216.db2.gz AUQRCBPDVQOAST-MEDUHNTESA-N -1 1 397.888 1.836 20 0 GDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000823380483 607105382 /nfs/dbraw/zinc/10/53/82/607105382.db2.gz YUPWAQFPUGDVFO-QMMMGPOBSA-N -1 1 389.828 1.968 20 0 GDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000823380483 607105384 /nfs/dbraw/zinc/10/53/84/607105384.db2.gz YUPWAQFPUGDVFO-QMMMGPOBSA-N -1 1 389.828 1.968 20 0 GDADMM Cc1nc(CC(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)c(C)s1 ZINC000822436255 607115087 /nfs/dbraw/zinc/11/50/87/607115087.db2.gz JYTUXZDZNJVSAC-UHFFFAOYSA-N -1 1 390.425 1.874 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCOC2(CCOCC2)C1 ZINC000823606504 607146458 /nfs/dbraw/zinc/14/64/58/607146458.db2.gz JFQCZUQUAFISQG-UHFFFAOYSA-N -1 1 399.860 1.090 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCOC2(CCOCC2)C1 ZINC000823606504 607146460 /nfs/dbraw/zinc/14/64/60/607146460.db2.gz JFQCZUQUAFISQG-UHFFFAOYSA-N -1 1 399.860 1.090 20 0 GDADMM O=C(NCCCF)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000823188054 607155728 /nfs/dbraw/zinc/15/57/28/607155728.db2.gz UACNOXKDWCMWDO-UHFFFAOYSA-N -1 1 390.379 1.306 20 0 GDADMM CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C1 ZINC000821338276 607159832 /nfs/dbraw/zinc/15/98/32/607159832.db2.gz ULADNFCTUFYSQU-SECBINFHSA-N -1 1 392.441 1.105 20 0 GDADMM CCS[C@H](C)c1noc(Cn2cc(C(=O)OC)cc(-c3nn[n-]n3)c2=O)n1 ZINC000821449158 607160864 /nfs/dbraw/zinc/16/08/64/607160864.db2.gz QMQIVQAJVNZERB-MRVPVSSYSA-N -1 1 391.413 1.060 20 0 GDADMM CCn1c(C)nnc1COC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000821563780 607205646 /nfs/dbraw/zinc/20/56/46/607205646.db2.gz FQIXFAOHIOXENA-UHFFFAOYSA-N -1 1 382.384 1.836 20 0 GDADMM CCn1c(C)nnc1COC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000821563780 607205647 /nfs/dbraw/zinc/20/56/47/607205647.db2.gz FQIXFAOHIOXENA-UHFFFAOYSA-N -1 1 382.384 1.836 20 0 GDADMM COc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1OC1CCCC1 ZINC000821832093 607207587 /nfs/dbraw/zinc/20/75/87/607207587.db2.gz ZHSOMQWIKQYOPR-UHFFFAOYSA-N -1 1 384.400 1.427 20 0 GDADMM CCc1cccc(Oc2ccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)cn2)c1 ZINC000821492879 607207974 /nfs/dbraw/zinc/20/79/74/607207974.db2.gz YDRDBUIJQSMZPI-UHFFFAOYSA-N -1 1 391.395 1.847 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC000823135929 607208320 /nfs/dbraw/zinc/20/83/20/607208320.db2.gz AOEVUZIAYROHHU-UHFFFAOYSA-N -1 1 381.331 1.423 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CC=C(c2cccc3ccccc32)CC1 ZINC000823123142 607211654 /nfs/dbraw/zinc/21/16/54/607211654.db2.gz PDHNRAURGNTHQM-UHFFFAOYSA-N -1 1 386.419 1.927 20 0 GDADMM C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820295161 607212389 /nfs/dbraw/zinc/21/23/89/607212389.db2.gz ZPXLLGKLGCSLMZ-QMMMGPOBSA-N -1 1 381.227 1.512 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N[C@@H]1CC2CCC1CC2 ZINC000820788972 607214137 /nfs/dbraw/zinc/21/41/37/607214137.db2.gz SKMMXRKLHCKPKW-XSCHDIRWSA-N -1 1 397.487 1.456 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N[C@@H]1CC2CCC1CC2 ZINC000820788972 607214138 /nfs/dbraw/zinc/21/41/38/607214138.db2.gz SKMMXRKLHCKPKW-XSCHDIRWSA-N -1 1 397.487 1.456 20 0 GDADMM COc1cccc(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1OC1CCCC1 ZINC000821868609 607216728 /nfs/dbraw/zinc/21/67/28/607216728.db2.gz SLEVQPUFQMCXHS-UHFFFAOYSA-N -1 1 398.427 1.105 20 0 GDADMM CCCN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000821083259 607218693 /nfs/dbraw/zinc/21/86/93/607218693.db2.gz WLPMNYZMMWSLDE-UONOGXRCSA-N -1 1 388.476 1.435 20 0 GDADMM C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(-c2ccncc2)cc1 ZINC000820333449 607220627 /nfs/dbraw/zinc/22/06/27/607220627.db2.gz CBQHPMUHVXINKR-LBPRGKRZSA-N -1 1 375.396 1.398 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(Cl)c(N3CCNC3=O)c2)n1 ZINC000822620402 607239569 /nfs/dbraw/zinc/23/95/69/607239569.db2.gz PXLBJUFKMOFCOD-UHFFFAOYSA-N -1 1 387.791 1.036 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(Cl)c(N3CCNC3=O)c2)n1 ZINC000822620402 607239570 /nfs/dbraw/zinc/23/95/70/607239570.db2.gz PXLBJUFKMOFCOD-UHFFFAOYSA-N -1 1 387.791 1.036 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCC[C@@H]1C[C@@H](C)O ZINC000826328253 607779260 /nfs/dbraw/zinc/77/92/60/607779260.db2.gz KUGYLKSNKZQEIZ-BXUZGUMPSA-N -1 1 398.471 1.221 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCC[C@@H]1C[C@@H](C)O ZINC000826328253 607779261 /nfs/dbraw/zinc/77/92/61/607779261.db2.gz KUGYLKSNKZQEIZ-BXUZGUMPSA-N -1 1 398.471 1.221 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCN(c3ccccn3)C2)cc1-c1nn[n-]n1 ZINC000826229993 607811839 /nfs/dbraw/zinc/81/18/39/607811839.db2.gz ZIKPEUAREJJZAW-SNVBAGLBSA-N -1 1 398.452 1.093 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N(CCCCO)C1CC1 ZINC000826327373 607832085 /nfs/dbraw/zinc/83/20/85/607832085.db2.gz FKAYBHCESSRHJE-UHFFFAOYSA-N -1 1 398.471 1.222 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N(CCCCO)C1CC1 ZINC000826327373 607832086 /nfs/dbraw/zinc/83/20/86/607832086.db2.gz FKAYBHCESSRHJE-UHFFFAOYSA-N -1 1 398.471 1.222 20 0 GDADMM CC(=O)NCc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000823994867 607867298 /nfs/dbraw/zinc/86/72/98/607867298.db2.gz QMOZKJRIIDCGPU-UHFFFAOYSA-N -1 1 391.384 1.410 20 0 GDADMM CC(=O)NCc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000823994867 607867299 /nfs/dbraw/zinc/86/72/99/607867299.db2.gz QMOZKJRIIDCGPU-UHFFFAOYSA-N -1 1 391.384 1.410 20 0 GDADMM O=C1NCCc2ccc(S(=O)(=O)Oc3cccc(F)c3-c3nnn[n-]3)cc21 ZINC000826482635 607868084 /nfs/dbraw/zinc/86/80/84/607868084.db2.gz LQGVTGKSEOZNNK-UHFFFAOYSA-N -1 1 389.368 1.059 20 0 GDADMM O=C1NCCc2ccc(S(=O)(=O)Oc3cccc(F)c3-c3nn[n-]n3)cc21 ZINC000826482635 607868085 /nfs/dbraw/zinc/86/80/85/607868085.db2.gz LQGVTGKSEOZNNK-UHFFFAOYSA-N -1 1 389.368 1.059 20 0 GDADMM CC(C)(C)c1nc(CN2CCCN(c3cccc(-c4nnn[n-]4)n3)CC2)no1 ZINC000824141375 607901429 /nfs/dbraw/zinc/90/14/29/607901429.db2.gz GSPNQSXUBPCFKV-UHFFFAOYSA-N -1 1 383.460 1.655 20 0 GDADMM CC(C)(C)c1nc(CN2CCCN(c3cccc(-c4nn[n-]n4)n3)CC2)no1 ZINC000824141375 607901430 /nfs/dbraw/zinc/90/14/30/607901430.db2.gz GSPNQSXUBPCFKV-UHFFFAOYSA-N -1 1 383.460 1.655 20 0 GDADMM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000826323722 607913055 /nfs/dbraw/zinc/91/30/55/607913055.db2.gz OYXAZQBHSPTAIF-JTQLQIEISA-N -1 1 375.462 1.566 20 0 GDADMM Cc1cc(N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)ncc1Br ZINC000826269090 607965250 /nfs/dbraw/zinc/96/52/50/607965250.db2.gz ZYTUJTVSUPNXQL-UHFFFAOYSA-N -1 1 392.265 1.707 20 0 GDADMM Cc1cc(N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)ncc1Br ZINC000826269090 607965251 /nfs/dbraw/zinc/96/52/51/607965251.db2.gz ZYTUJTVSUPNXQL-UHFFFAOYSA-N -1 1 392.265 1.707 20 0 GDADMM O=C(c1cnco1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000826475100 607969225 /nfs/dbraw/zinc/96/92/25/607969225.db2.gz SCPNSOBMZGMGID-UHFFFAOYSA-N -1 1 382.340 1.065 20 0 GDADMM CC(=O)Oc1cccc(OS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000824011005 607971562 /nfs/dbraw/zinc/97/15/62/607971562.db2.gz WEWBEKXMWLUBBB-UHFFFAOYSA-N -1 1 378.341 1.699 20 0 GDADMM CC(=O)Oc1cccc(OS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000824011005 607971563 /nfs/dbraw/zinc/97/15/63/607971563.db2.gz WEWBEKXMWLUBBB-UHFFFAOYSA-N -1 1 378.341 1.699 20 0 GDADMM Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826337879 607996899 /nfs/dbraw/zinc/99/68/99/607996899.db2.gz DACXTVNOBROOKK-HNNXBMFYSA-N -1 1 391.395 1.290 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1CCCCN1C(=O)c1ccco1 ZINC000826450915 607997608 /nfs/dbraw/zinc/99/76/08/607997608.db2.gz ISUVYZNOMCTVSX-ZDUSSCGKSA-N -1 1 382.380 1.799 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc2c(c1)nc1n(c2=O)CCC1 ZINC000826451205 607999026 /nfs/dbraw/zinc/99/90/26/607999026.db2.gz VVCFBYTYZYEDMJ-UHFFFAOYSA-N -1 1 389.375 1.481 20 0 GDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CCc1cc(Br)ccc1F ZINC000826394898 608012649 /nfs/dbraw/zinc/01/26/49/608012649.db2.gz DDTMVKZEFFFKQK-UHFFFAOYSA-N -1 1 380.181 1.820 20 0 GDADMM C[C@H](NC(=O)Cn1ccnc1-c1nnn[n-]1)c1ccc(Br)cc1 ZINC000824480070 608013353 /nfs/dbraw/zinc/01/33/53/608013353.db2.gz SGZPJOZMEPDAJI-VIFPVBQESA-N -1 1 376.218 1.703 20 0 GDADMM C[C@H](NC(=O)Cn1ccnc1-c1nn[n-]n1)c1ccc(Br)cc1 ZINC000824480070 608013354 /nfs/dbraw/zinc/01/33/54/608013354.db2.gz SGZPJOZMEPDAJI-VIFPVBQESA-N -1 1 376.218 1.703 20 0 GDADMM CC(=O)c1ccc(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)nc1 ZINC000824024331 608030883 /nfs/dbraw/zinc/03/08/83/608030883.db2.gz AIESKFMTDZKSPJ-UHFFFAOYSA-N -1 1 381.396 1.753 20 0 GDADMM Cc1oc(NC(=O)[C@@H](C)N2CCCC3(C2)OCCO3)c(-c2nn[n-]n2)c1C ZINC000826341822 608063920 /nfs/dbraw/zinc/06/39/20/608063920.db2.gz QYQGSRWXRWDWEM-LLVKDONJSA-N -1 1 376.417 1.242 20 0 GDADMM CCOC(=O)C(C)(C)C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000825486051 608104697 /nfs/dbraw/zinc/10/46/97/608104697.db2.gz MNPCAPXCQMCDNL-UHFFFAOYSA-N -1 1 379.373 1.148 20 0 GDADMM O=S(=O)(NCC1(c2ccccc2Cl)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826490154 608112108 /nfs/dbraw/zinc/11/21/08/608112108.db2.gz LGPPAUBGQRTISG-UHFFFAOYSA-N -1 1 390.856 1.925 20 0 GDADMM O=S(=O)(NCC1(c2ccccc2Cl)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826490154 608112109 /nfs/dbraw/zinc/11/21/09/608112109.db2.gz LGPPAUBGQRTISG-UHFFFAOYSA-N -1 1 390.856 1.925 20 0 GDADMM CCOC(=O)[C@@H](C)[C@H](C)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000825485809 608139612 /nfs/dbraw/zinc/13/96/12/608139612.db2.gz JPNUJTGNWDKGJQ-ONGXEEELSA-N -1 1 390.444 1.221 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCCC(F)(F)F ZINC000825000748 608161432 /nfs/dbraw/zinc/16/14/32/608161432.db2.gz UGBIYBJUOIKZIW-JTQLQIEISA-N -1 1 384.366 1.426 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCCC(F)(F)F ZINC000825000748 608161433 /nfs/dbraw/zinc/16/14/33/608161433.db2.gz UGBIYBJUOIKZIW-JTQLQIEISA-N -1 1 384.366 1.426 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H](CO)CC(F)(F)F ZINC000826340908 608182682 /nfs/dbraw/zinc/18/26/82/608182682.db2.gz OTFOSJFBLANSTC-SECBINFHSA-N -1 1 384.318 1.602 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H](CO)CC(F)(F)F ZINC000826340908 608182683 /nfs/dbraw/zinc/18/26/83/608182683.db2.gz OTFOSJFBLANSTC-SECBINFHSA-N -1 1 384.318 1.602 20 0 GDADMM Cn1cnn(-c2ccc(Nc3c4ccccc4nnc3-c3nnn[n-]3)cc2)c1=O ZINC000826365068 608194331 /nfs/dbraw/zinc/19/43/31/608194331.db2.gz ABYCIZCQNUCAHK-UHFFFAOYSA-N -1 1 386.379 1.438 20 0 GDADMM Cn1cnn(-c2ccc(Nc3c4ccccc4nnc3-c3nn[n-]n3)cc2)c1=O ZINC000826365068 608194333 /nfs/dbraw/zinc/19/43/33/608194333.db2.gz ABYCIZCQNUCAHK-UHFFFAOYSA-N -1 1 386.379 1.438 20 0 GDADMM O=C(N[C@H](C(=O)Nc1cn[nH]c1)c1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826426881 608203273 /nfs/dbraw/zinc/20/32/73/608203273.db2.gz YMARBWYPEZMGED-AWEZNQCLSA-N -1 1 394.420 1.761 20 0 GDADMM O=C(N[C@H](C(=O)Nc1cn[nH]c1)c1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826426881 608203275 /nfs/dbraw/zinc/20/32/75/608203275.db2.gz YMARBWYPEZMGED-AWEZNQCLSA-N -1 1 394.420 1.761 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@@H]1CCOc2ccccc21 ZINC000825923089 608212728 /nfs/dbraw/zinc/21/27/28/608212728.db2.gz BONSIJVCCZVPMF-GFCCVEGCSA-N -1 1 382.428 1.129 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@@H]1CCOc2ccccc21 ZINC000825923089 608212730 /nfs/dbraw/zinc/21/27/30/608212730.db2.gz BONSIJVCCZVPMF-GFCCVEGCSA-N -1 1 382.428 1.129 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@H]1CCOc2ccccc21 ZINC000825923090 608212951 /nfs/dbraw/zinc/21/29/51/608212951.db2.gz BONSIJVCCZVPMF-LBPRGKRZSA-N -1 1 382.428 1.129 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@H]1CCOc2ccccc21 ZINC000825923090 608212952 /nfs/dbraw/zinc/21/29/52/608212952.db2.gz BONSIJVCCZVPMF-LBPRGKRZSA-N -1 1 382.428 1.129 20 0 GDADMM CN1CCO[C@H]([C@H](Nc2nccnc2-c2nnn[n-]2)c2ccc(Cl)cc2)C1 ZINC000826044724 608235342 /nfs/dbraw/zinc/23/53/42/608235342.db2.gz JQAPHWXTFFBWSR-UONOGXRCSA-N -1 1 386.847 1.794 20 0 GDADMM CN1CCO[C@H]([C@H](Nc2nccnc2-c2nn[n-]n2)c2ccc(Cl)cc2)C1 ZINC000826044724 608235343 /nfs/dbraw/zinc/23/53/43/608235343.db2.gz JQAPHWXTFFBWSR-UONOGXRCSA-N -1 1 386.847 1.794 20 0 GDADMM NC(=O)c1cc([C@@H]2CCCN(c3c4ccccc4nnc3-c3nnn[n-]3)C2)n[nH]1 ZINC000826393054 608293349 /nfs/dbraw/zinc/29/33/49/608293349.db2.gz ZNVZXUUAWVAQMR-SNVBAGLBSA-N -1 1 390.411 1.016 20 0 GDADMM NC(=O)c1cc([C@@H]2CCCN(c3c4ccccc4nnc3-c3nn[n-]n3)C2)n[nH]1 ZINC000826393054 608293350 /nfs/dbraw/zinc/29/33/50/608293350.db2.gz ZNVZXUUAWVAQMR-SNVBAGLBSA-N -1 1 390.411 1.016 20 0 GDADMM CCCCn1cc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c(C)n1 ZINC000825301893 608302457 /nfs/dbraw/zinc/30/24/57/608302457.db2.gz RZSQNETXRYCZJM-UHFFFAOYSA-N -1 1 376.446 1.045 20 0 GDADMM CCCCn1cc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c(C)n1 ZINC000825301893 608302459 /nfs/dbraw/zinc/30/24/59/608302459.db2.gz RZSQNETXRYCZJM-UHFFFAOYSA-N -1 1 376.446 1.045 20 0 GDADMM Cc1nn(-c2ccccc2)c(CN2CCNC(=O)[C@@H]2C(C)C)c1-c1nn[n-]n1 ZINC000826331925 608312730 /nfs/dbraw/zinc/31/27/30/608312730.db2.gz DHFJQPCPUDKCEM-KRWDZBQOSA-N -1 1 380.456 1.317 20 0 GDADMM CCN(C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)[C@@H](C)C(C)C ZINC000825363099 608351537 /nfs/dbraw/zinc/35/15/37/608351537.db2.gz TUYAITSQGYPVNG-NSHDSACASA-N -1 1 376.465 1.650 20 0 GDADMM CCN(C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)[C@@H](C)C(C)C ZINC000825363099 608351539 /nfs/dbraw/zinc/35/15/39/608351539.db2.gz TUYAITSQGYPVNG-NSHDSACASA-N -1 1 376.465 1.650 20 0 GDADMM CS[C@H]1CC[C@@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000826227942 608355636 /nfs/dbraw/zinc/35/56/36/608355636.db2.gz ZSVRFEUIMQYRKY-ZJUUUORDSA-N -1 1 392.489 1.157 20 0 GDADMM CS[C@H]1CC[C@@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000826227942 608355638 /nfs/dbraw/zinc/35/56/38/608355638.db2.gz ZSVRFEUIMQYRKY-ZJUUUORDSA-N -1 1 392.489 1.157 20 0 GDADMM C[C@@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)c1ccncc1 ZINC000824420718 608355909 /nfs/dbraw/zinc/35/59/09/608355909.db2.gz ONPILDPIOOXJSJ-NSHDSACASA-N -1 1 397.443 1.072 20 0 GDADMM C[C@@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)c1ccncc1 ZINC000824420718 608355910 /nfs/dbraw/zinc/35/59/10/608355910.db2.gz ONPILDPIOOXJSJ-NSHDSACASA-N -1 1 397.443 1.072 20 0 GDADMM COc1ccccc1NC(=O)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826220085 608396512 /nfs/dbraw/zinc/39/65/12/608396512.db2.gz BSMZVKNVGMYNQL-UHFFFAOYSA-N -1 1 380.412 1.520 20 0 GDADMM COc1ccccc1NC(=O)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826220085 608396513 /nfs/dbraw/zinc/39/65/13/608396513.db2.gz BSMZVKNVGMYNQL-UHFFFAOYSA-N -1 1 380.412 1.520 20 0 GDADMM Cc1nn(C)c(C)c1CCCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826333736 608423796 /nfs/dbraw/zinc/42/37/96/608423796.db2.gz SQKOAXJLEOHWOL-UHFFFAOYSA-N -1 1 393.448 1.267 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824228569 608554745 /nfs/dbraw/zinc/55/47/45/608554745.db2.gz JQEGEOPRHUYZPW-GFCCVEGCSA-N -1 1 378.481 1.404 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824228569 608554747 /nfs/dbraw/zinc/55/47/47/608554747.db2.gz JQEGEOPRHUYZPW-GFCCVEGCSA-N -1 1 378.481 1.404 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@@H]1CCN(C)c2ccccc21 ZINC000825923293 608555287 /nfs/dbraw/zinc/55/52/87/608555287.db2.gz FTYXFUBZBRTLSM-CYBMUJFWSA-N -1 1 395.471 1.187 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@@H]1CCN(C)c2ccccc21 ZINC000825923293 608555288 /nfs/dbraw/zinc/55/52/88/608555288.db2.gz FTYXFUBZBRTLSM-CYBMUJFWSA-N -1 1 395.471 1.187 20 0 GDADMM C[C@@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)N1CCc2ccccc21 ZINC000824040314 608556086 /nfs/dbraw/zinc/55/60/86/608556086.db2.gz OBSWCSYZNUSPHG-LBPRGKRZSA-N -1 1 395.471 1.014 20 0 GDADMM C[C@@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)N1CCc2ccccc21 ZINC000824040314 608556088 /nfs/dbraw/zinc/55/60/88/608556088.db2.gz OBSWCSYZNUSPHG-LBPRGKRZSA-N -1 1 395.471 1.014 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cccc([C@@H]2CCOC2)c1 ZINC000825934356 608558600 /nfs/dbraw/zinc/55/86/00/608558600.db2.gz NWZJUXKZHMKMKV-CQSZACIVSA-N -1 1 396.455 1.381 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cccc([C@@H]2CCOC2)c1 ZINC000825934356 608558601 /nfs/dbraw/zinc/55/86/01/608558601.db2.gz NWZJUXKZHMKMKV-CQSZACIVSA-N -1 1 396.455 1.381 20 0 GDADMM Cc1cc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c(Cl)cc1F ZINC000826257232 608558852 /nfs/dbraw/zinc/55/88/52/608558852.db2.gz UCHWXJQQFKGMDX-UHFFFAOYSA-N -1 1 392.826 1.978 20 0 GDADMM Cc1cc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c(Cl)cc1F ZINC000826257232 608558854 /nfs/dbraw/zinc/55/88/54/608558854.db2.gz UCHWXJQQFKGMDX-UHFFFAOYSA-N -1 1 392.826 1.978 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCc2cc(F)ccc2C1 ZINC000826495542 608565939 /nfs/dbraw/zinc/56/59/39/608565939.db2.gz SVPOACDCJHPZJN-UHFFFAOYSA-N -1 1 377.376 1.892 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N[C@@H]1CCC(C)(C)C1 ZINC000825000333 608588049 /nfs/dbraw/zinc/58/80/49/608588049.db2.gz OOHUSEGMGBLVFY-QWHCGFSZSA-N -1 1 385.476 1.456 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N[C@@H]1CCC(C)(C)C1 ZINC000825000333 608588050 /nfs/dbraw/zinc/58/80/50/608588050.db2.gz OOHUSEGMGBLVFY-QWHCGFSZSA-N -1 1 385.476 1.456 20 0 GDADMM COc1ncc(Br)cc1COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826221408 608594953 /nfs/dbraw/zinc/59/49/53/608594953.db2.gz DFKUARBRLBVQPL-UHFFFAOYSA-N -1 1 391.185 1.785 20 0 GDADMM COc1ncc(Br)cc1COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826221408 608594955 /nfs/dbraw/zinc/59/49/55/608594955.db2.gz DFKUARBRLBVQPL-UHFFFAOYSA-N -1 1 391.185 1.785 20 0 GDADMM CCc1nn(C)c(Cl)c1CN1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000825760402 608686549 /nfs/dbraw/zinc/68/65/49/608686549.db2.gz YDWAMTWOQSAUOJ-UHFFFAOYSA-N -1 1 390.879 1.727 20 0 GDADMM CCc1nn(C)c(Cl)c1CN1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000825760402 608686555 /nfs/dbraw/zinc/68/65/55/608686555.db2.gz YDWAMTWOQSAUOJ-UHFFFAOYSA-N -1 1 390.879 1.727 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCCSCC(F)(F)F)cc1-c1nn[n-]n1 ZINC000826229645 608860518 /nfs/dbraw/zinc/86/05/18/608860518.db2.gz LQZCVNLQAOXMJG-UHFFFAOYSA-N -1 1 394.404 1.715 20 0 GDADMM COc1ccc(-c2nc(SCC3OCCO3)[nH]c(=O)c2-c2nn[n-]n2)cc1 ZINC000826181947 609173889 /nfs/dbraw/zinc/17/38/89/609173889.db2.gz UBLZJEINNWMDOY-UHFFFAOYSA-N -1 1 388.409 1.503 20 0 GDADMM Cc1cc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)nn1-c1ccccc1Cl ZINC000826270253 609264787 /nfs/dbraw/zinc/26/47/87/609264787.db2.gz RWUODZPVAFQCKL-UHFFFAOYSA-N -1 1 384.791 1.244 20 0 GDADMM Cn1cc(CCC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cn1 ZINC000826360781 609287654 /nfs/dbraw/zinc/28/76/54/609287654.db2.gz XWDUSINROSPZLC-UHFFFAOYSA-N -1 1 381.375 1.496 20 0 GDADMM Cn1ccc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cc1=O ZINC000826362863 609291423 /nfs/dbraw/zinc/29/14/23/609291423.db2.gz MDKNVARTXNZIAA-UHFFFAOYSA-N -1 1 380.343 1.143 20 0 GDADMM O=C(COC1CCOCC1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826416496 609292949 /nfs/dbraw/zinc/29/29/49/609292949.db2.gz BSCGEEVNSQDYGZ-UHFFFAOYSA-N -1 1 387.375 1.326 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000825930324 609299290 /nfs/dbraw/zinc/29/92/90/609299290.db2.gz SMMLLYSGDFLOIW-GFCCVEGCSA-N -1 1 397.443 1.270 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000825930324 609299291 /nfs/dbraw/zinc/29/92/91/609299291.db2.gz SMMLLYSGDFLOIW-GFCCVEGCSA-N -1 1 397.443 1.270 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000825930055 609301098 /nfs/dbraw/zinc/30/10/98/609301098.db2.gz OVHKEWDKXABHAA-TZMCWYRMSA-N -1 1 381.444 1.302 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000825930055 609301099 /nfs/dbraw/zinc/30/10/99/609301099.db2.gz OVHKEWDKXABHAA-TZMCWYRMSA-N -1 1 381.444 1.302 20 0 GDADMM CC(C)[C@H]1CCCC[C@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824217039 609301270 /nfs/dbraw/zinc/30/12/70/609301270.db2.gz XMBNFEVWWWYOQJ-CHWSQXEVSA-N -1 1 389.508 1.961 20 0 GDADMM CC(C)[C@H]1CCCC[C@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824217039 609301272 /nfs/dbraw/zinc/30/12/72/609301272.db2.gz XMBNFEVWWWYOQJ-CHWSQXEVSA-N -1 1 389.508 1.961 20 0 GDADMM CS[C@@H]1CC[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1 ZINC000826226778 609304438 /nfs/dbraw/zinc/30/44/38/609304438.db2.gz GEVQWERWISZVJY-VHSXEESVSA-N -1 1 379.494 1.030 20 0 GDADMM CS[C@@H]1CC[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C1 ZINC000826226778 609304440 /nfs/dbraw/zinc/30/44/40/609304440.db2.gz GEVQWERWISZVJY-VHSXEESVSA-N -1 1 379.494 1.030 20 0 GDADMM Cc1cccc(F)c1CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826298579 609304650 /nfs/dbraw/zinc/30/46/50/609304650.db2.gz ZSJNCKYYKZCGTB-UHFFFAOYSA-N -1 1 387.423 1.394 20 0 GDADMM Cc1cccc(F)c1CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826298579 609304651 /nfs/dbraw/zinc/30/46/51/609304651.db2.gz ZSJNCKYYKZCGTB-UHFFFAOYSA-N -1 1 387.423 1.394 20 0 GDADMM CCc1cnccc1[C@@H](C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825735316 609309691 /nfs/dbraw/zinc/30/96/91/609309691.db2.gz PZKBXSABIYPQLY-LLVKDONJSA-N -1 1 398.475 1.465 20 0 GDADMM CCc1cnccc1[C@@H](C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825735316 609309693 /nfs/dbraw/zinc/30/96/93/609309693.db2.gz PZKBXSABIYPQLY-LLVKDONJSA-N -1 1 398.475 1.465 20 0 GDADMM CCOc1nccnc1N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000825658184 609311264 /nfs/dbraw/zinc/31/12/64/609311264.db2.gz BKKYPPXHLJZWLO-UHFFFAOYSA-N -1 1 383.416 1.247 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)[C@@H](O)c1ccccc1 ZINC000826458241 609312035 /nfs/dbraw/zinc/31/20/35/609312035.db2.gz IUXKWJSFAAKFOT-INIZCTEOSA-N -1 1 379.355 1.864 20 0 GDADMM CC(C)(C)OCC(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000824119080 609349544 /nfs/dbraw/zinc/34/95/44/609349544.db2.gz BDRRWQNSVQDXJQ-UHFFFAOYSA-N -1 1 399.411 1.349 20 0 GDADMM CC(C)(C)OCC(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000824119080 609349546 /nfs/dbraw/zinc/34/95/46/609349546.db2.gz BDRRWQNSVQDXJQ-UHFFFAOYSA-N -1 1 399.411 1.349 20 0 GDADMM Cc1c(NC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cnn1C ZINC000826242113 609356247 /nfs/dbraw/zinc/35/62/47/609356247.db2.gz AJYRFWUVNRWALY-UHFFFAOYSA-N -1 1 382.363 1.877 20 0 GDADMM C[C@@H]1CN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C[C@H](C)O1 ZINC000824977806 609358223 /nfs/dbraw/zinc/35/82/23/609358223.db2.gz SGELLLLESBZMEG-PHIMTYICSA-N -1 1 386.391 1.833 20 0 GDADMM C[C@@H]1[C@H](C)OCCN1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825020916 609360613 /nfs/dbraw/zinc/36/06/13/609360613.db2.gz NKRBGUIDZFIMLI-MNOVXSKESA-N -1 1 386.391 1.833 20 0 GDADMM CC(C)(C)OC(=O)NCCCCC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000824113697 609389240 /nfs/dbraw/zinc/38/92/40/609389240.db2.gz AIXMKHGCUQIZPZ-UHFFFAOYSA-N -1 1 376.417 2.000 20 0 GDADMM CC(C)(C)OC(=O)NCCCCC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000824113697 609389244 /nfs/dbraw/zinc/38/92/44/609389244.db2.gz AIXMKHGCUQIZPZ-UHFFFAOYSA-N -1 1 376.417 2.000 20 0 GDADMM C[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1cncc(F)c1 ZINC000824632780 609398122 /nfs/dbraw/zinc/39/81/22/609398122.db2.gz DRIBOJMRIWHWLJ-SSDOTTSWSA-N -1 1 384.343 1.719 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CC[C@@H](C)[C@@H](F)C1 ZINC000826327579 609402013 /nfs/dbraw/zinc/40/20/13/609402013.db2.gz MWUBKDLOBAWWEV-BMIGLBTASA-N -1 1 386.435 1.665 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CC[C@@H](C)[C@@H](F)C1 ZINC000826327579 609402014 /nfs/dbraw/zinc/40/20/14/609402014.db2.gz MWUBKDLOBAWWEV-BMIGLBTASA-N -1 1 386.435 1.665 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NN1Cc2ccccc2C1=O ZINC000826340850 609427596 /nfs/dbraw/zinc/42/75/96/609427596.db2.gz MZHIKVWNIOUZNG-UHFFFAOYSA-N -1 1 389.375 1.860 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NN1Cc2ccccc2C1=O ZINC000826340850 609427599 /nfs/dbraw/zinc/42/75/99/609427599.db2.gz MZHIKVWNIOUZNG-UHFFFAOYSA-N -1 1 389.375 1.860 20 0 GDADMM Cc1onc(CC(=O)N2CCO[C@@H](c3ccc(F)c(C)c3)C2)c1-c1nnn[n-]1 ZINC000826265919 609468479 /nfs/dbraw/zinc/46/84/79/609468479.db2.gz SZBUCOSUYVHSCJ-OAHLLOKOSA-N -1 1 386.387 1.753 20 0 GDADMM Cc1onc(CC(=O)N2CCO[C@@H](c3ccc(F)c(C)c3)C2)c1-c1nn[n-]n1 ZINC000826265919 609468481 /nfs/dbraw/zinc/46/84/81/609468481.db2.gz SZBUCOSUYVHSCJ-OAHLLOKOSA-N -1 1 386.387 1.753 20 0 GDADMM Cc1nc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)ccc1[C@H](C)O ZINC000826326644 609609403 /nfs/dbraw/zinc/60/94/03/609609403.db2.gz YKAMAYQSXPCPBU-JTQLQIEISA-N -1 1 392.416 1.241 20 0 GDADMM O=C(NC1(c2nn[n-]n2)CCCC1)c1cncc(I)c1 ZINC000536043312 650263824 /nfs/dbraw/zinc/26/38/24/650263824.db2.gz HTPLASVBTMFUDX-UHFFFAOYSA-N -1 1 384.181 1.399 20 0 GDADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@@H]3COCC[C@@H]32)c(F)c1 ZINC000536906035 650283483 /nfs/dbraw/zinc/28/34/83/650283483.db2.gz SHOAQJXLVPMPHX-RISCZKNCSA-N -1 1 392.474 1.387 20 0 GDADMM NS(=O)(=O)c1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)cc1F ZINC000538938819 650325935 /nfs/dbraw/zinc/32/59/35/650325935.db2.gz XBLCGLXCUPYDIG-UHFFFAOYSA-N -1 1 380.400 1.034 20 0 GDADMM COc1ccc(Cl)cc1NCC(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000540051055 650348258 /nfs/dbraw/zinc/34/82/58/650348258.db2.gz BFKHXLJQUOBJLX-UHFFFAOYSA-N -1 1 385.829 1.752 20 0 GDADMM CC(C)(C)n1ccnc1SCC(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000540804369 650370534 /nfs/dbraw/zinc/37/05/34/650370534.db2.gz BHEYQKFCZOHQRZ-UHFFFAOYSA-N -1 1 384.483 1.722 20 0 GDADMM O=S(=O)([N-]CCCOCCO)c1cc(Br)sc1Cl ZINC000543689491 650428090 /nfs/dbraw/zinc/42/80/90/650428090.db2.gz ZNDOCWDMVOTPEL-UHFFFAOYSA-N -1 1 378.697 1.841 20 0 GDADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2cc(Cl)cc3c2OCC3)c1 ZINC000544540685 650440609 /nfs/dbraw/zinc/44/06/09/650440609.db2.gz MGHQSCOZZVSKBR-UHFFFAOYSA-N -1 1 382.825 1.809 20 0 GDADMM NC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(I)c([O-])c1 ZINC000544882539 650447899 /nfs/dbraw/zinc/44/78/99/650447899.db2.gz YPIBEJOGKSLUBD-ONGXEEELSA-N -1 1 388.205 1.771 20 0 GDADMM C[C@H]([N-]S(=O)(=O)c1cccs1)c1nc(-c2ccc(C(N)=O)nc2)no1 ZINC000545675328 650460478 /nfs/dbraw/zinc/46/04/78/650460478.db2.gz YFUQWLRWQBPUGW-QMMMGPOBSA-N -1 1 379.423 1.332 20 0 GDADMM NC(=O)c1ccc(Cc2noc(C[N-]S(=O)(=O)c3cccs3)n2)cc1 ZINC000546337577 650476732 /nfs/dbraw/zinc/47/67/32/650476732.db2.gz ORXIXRLLHZVHLY-UHFFFAOYSA-N -1 1 378.435 1.299 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(I)c([O-])c2)CC[S@]1=O ZINC000546200529 650474336 /nfs/dbraw/zinc/47/43/36/650474336.db2.gz PZJQVEQWXCEWGN-DCXZOGHSSA-N -1 1 379.219 1.590 20 0 GDADMM CCC[C@H]1C(=O)NCCN1C(=O)c1ccc(I)c([O-])c1 ZINC000546216402 650474956 /nfs/dbraw/zinc/47/49/56/650474956.db2.gz CVBRNMFMSGUGJB-NSHDSACASA-N -1 1 388.205 1.738 20 0 GDADMM COCCN(CC(=O)OC)C(=O)c1ccc(I)c([O-])c1 ZINC000546898650 650489544 /nfs/dbraw/zinc/48/95/44/650489544.db2.gz ZUWOQSMXORJNPA-UHFFFAOYSA-N -1 1 393.177 1.258 20 0 GDADMM 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CIPOUKMVCHFGCS-SECBINFHSA-N -1 1 376.214 1.981 20 0 GDADMM CN1CCN(c2cccc(C(=O)N[C@]3(C(=O)[O-])CCc4ccccc43)n2)CC1 ZINC000908973502 939362796 /nfs/dbraw/zinc/36/27/96/939362796.db2.gz DFFPBIPGRQDZFH-OAQYLSRUSA-N -1 1 380.448 1.490 20 0 GDADMM CCO[C@@H]1C[C@](NC(=O)c2cccc(N3CCN(C)CC3)n2)(C(=O)[O-])C1(C)C ZINC000909605852 939722760 /nfs/dbraw/zinc/72/27/60/939722760.db2.gz ZVYRVCGUTXUSLH-QRWLVFNGSA-N -1 1 390.484 1.222 20 0 GDADMM CCCN([C@H](C)C(=O)OCC)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001571258296 945351092 /nfs/dbraw/zinc/35/10/92/945351092.db2.gz PHQOAIKIYPENMW-SNVBAGLBSA-N -1 1 385.421 1.358 20 0 GDADMM COC(=O)c1cc(CN[C@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)cn1C ZINC001610976843 970824143 /nfs/dbraw/zinc/82/41/43/970824143.db2.gz UDJIJFBQRRNGFJ-DOTOQJQBSA-N -1 1 385.420 1.328 20 0 GDADMM O=C([O-])[C@@]1(NS(=O)(=O)c2oc3ccccc3c2Br)CCOC1 ZINC001601724002 971046783 /nfs/dbraw/zinc/04/67/83/971046783.db2.gz QMYMBOVSYZRQPQ-CYBMUJFWSA-N -1 1 390.211 1.717 20 0 GDADMM Cc1nsc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H](C)c2ccco2)c1-c1nn[n-]n1 ZINC001571261281 945424520 /nfs/dbraw/zinc/42/45/20/945424520.db2.gz CQFAMHNDZAKIAQ-GJTWSCIVSA-N -1 1 385.453 1.579 20 0 GDADMM CCN(C(=O)c1scnc1C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571262524 945438749 /nfs/dbraw/zinc/43/87/49/945438749.db2.gz SIMHKKDIEDJEJA-NSHDSACASA-N -1 1 385.457 1.163 20 0 GDADMM CCN(C(=O)c1scnc1C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571262524 945438757 /nfs/dbraw/zinc/43/87/57/945438757.db2.gz SIMHKKDIEDJEJA-NSHDSACASA-N -1 1 385.457 1.163 20 0 GDADMM CCc1ncc(C(=O)N2C[C@@H](C)[C@H](Nc3nccnc3-c3nnn[n-]3)C2)s1 ZINC001571262545 945439911 /nfs/dbraw/zinc/43/99/11/945439911.db2.gz ULVALMHMGVDVQO-NXEZZACHSA-N -1 1 385.457 1.248 20 0 GDADMM CCc1ncc(C(=O)N2C[C@@H](C)[C@H](Nc3nccnc3-c3nn[n-]n3)C2)s1 ZINC001571262545 945439917 /nfs/dbraw/zinc/43/99/17/945439917.db2.gz ULVALMHMGVDVQO-NXEZZACHSA-N -1 1 385.457 1.248 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@@H]2CCN(C(=O)c3ccns3)C2)n1 ZINC001571262566 945440234 /nfs/dbraw/zinc/44/02/34/945440234.db2.gz VAXJJYOUNACSDK-NSHDSACASA-N -1 1 385.457 1.020 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@@H]2CCN(C(=O)c3ccns3)C2)n1 ZINC001571262566 945440238 /nfs/dbraw/zinc/44/02/38/945440238.db2.gz VAXJJYOUNACSDK-NSHDSACASA-N -1 1 385.457 1.020 20 0 GDADMM CCc1ncsc1C(=O)N1C[C@@H](C)[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571262748 945442207 /nfs/dbraw/zinc/44/22/07/945442207.db2.gz WUJVJVATJQKWRN-SKDRFNHKSA-N -1 1 385.457 1.248 20 0 GDADMM CCc1ncsc1C(=O)N1C[C@@H](C)[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571262748 945442214 /nfs/dbraw/zinc/44/22/14/945442214.db2.gz WUJVJVATJQKWRN-SKDRFNHKSA-N -1 1 385.457 1.248 20 0 GDADMM CN(C)C(=O)NCCc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC001571262815 945443279 /nfs/dbraw/zinc/44/32/79/945443279.db2.gz YXKBAVZIIZXYMS-UHFFFAOYSA-N -1 1 385.453 1.994 20 0 GDADMM CN(C)C(=O)NCCc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC001571262815 945443286 /nfs/dbraw/zinc/44/32/86/945443286.db2.gz YXKBAVZIIZXYMS-UHFFFAOYSA-N -1 1 385.453 1.994 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2Nc2cncc(-c3nnn[n-]3)n2)ns1 ZINC001571263376 945457483 /nfs/dbraw/zinc/45/74/83/945457483.db2.gz ONPCVDBRUZILOR-GHMZBOCLSA-N -1 1 385.457 1.575 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2Nc2cncc(-c3nn[n-]n3)n2)ns1 ZINC001571263376 945457486 /nfs/dbraw/zinc/45/74/86/945457486.db2.gz ONPCVDBRUZILOR-GHMZBOCLSA-N -1 1 385.457 1.575 20 0 GDADMM Cc1nscc1C(=O)N1CCC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571263523 945461054 /nfs/dbraw/zinc/46/10/54/945461054.db2.gz SHRHVGNYXNSDMJ-NSHDSACASA-N -1 1 385.457 1.163 20 0 GDADMM Cc1nscc1C(=O)N1CCC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571263523 945461061 /nfs/dbraw/zinc/46/10/61/945461061.db2.gz SHRHVGNYXNSDMJ-NSHDSACASA-N -1 1 385.457 1.163 20 0 GDADMM Cc1ncsc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C ZINC001571263863 945469938 /nfs/dbraw/zinc/46/99/38/945469938.db2.gz YOVCRWVLEHYSQR-LLVKDONJSA-N -1 1 385.457 1.066 20 0 GDADMM Cc1ncsc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C ZINC001571263863 945469941 /nfs/dbraw/zinc/46/99/41/945469941.db2.gz YOVCRWVLEHYSQR-LLVKDONJSA-N -1 1 385.457 1.066 20 0 GDADMM O=C(N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccc(F)c(F)c1 ZINC001571267388 945569009 /nfs/dbraw/zinc/56/90/09/945569009.db2.gz SULFPBJQMGWJMD-LLVKDONJSA-N -1 1 386.366 1.334 20 0 GDADMM O=C(N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccc(F)c(F)c1 ZINC001571267388 945569014 /nfs/dbraw/zinc/56/90/14/945569014.db2.gz SULFPBJQMGWJMD-LLVKDONJSA-N -1 1 386.366 1.334 20 0 GDADMM O=C(N1CC[C@@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1)C1(F)CCCC1 ZINC001571268532 945597514 /nfs/dbraw/zinc/59/75/14/945597514.db2.gz GOERPSKRZUKBOS-QGZVFWFLSA-N -1 1 386.435 1.368 20 0 GDADMM O=C(N1CC[C@@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1)C1(F)CCCC1 ZINC001571268532 945597521 /nfs/dbraw/zinc/59/75/21/945597521.db2.gz GOERPSKRZUKBOS-QGZVFWFLSA-N -1 1 386.435 1.368 20 0 GDADMM O=C([C@H]1CCC[C@@H](F)C1)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571269113 945611482 /nfs/dbraw/zinc/61/14/82/945611482.db2.gz PDRVPOGDMRLVTD-RFQIPJPRSA-N -1 1 386.435 1.365 20 0 GDADMM O=C([C@H]1CCC[C@@H](F)C1)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571269113 945611488 /nfs/dbraw/zinc/61/14/88/945611488.db2.gz PDRVPOGDMRLVTD-RFQIPJPRSA-N -1 1 386.435 1.365 20 0 GDADMM O=C([C@@H]1CCC[C@@H](F)C1)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571269115 945611901 /nfs/dbraw/zinc/61/19/01/945611901.db2.gz PDRVPOGDMRLVTD-SYQHCUMBSA-N -1 1 386.435 1.365 20 0 GDADMM O=C([C@@H]1CCC[C@@H](F)C1)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571269115 945611912 /nfs/dbraw/zinc/61/19/12/945611912.db2.gz PDRVPOGDMRLVTD-SYQHCUMBSA-N -1 1 386.435 1.365 20 0 GDADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H]1CN(C(=O)c2cccs2)CCO1 ZINC001571270453 945636612 /nfs/dbraw/zinc/63/66/12/945636612.db2.gz UAECBFDMOQVXEW-CMPLNLGQSA-N -1 1 386.441 1.060 20 0 GDADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H]1CN(C(=O)c2cccs2)CCO1 ZINC001571270453 945636619 /nfs/dbraw/zinc/63/66/19/945636619.db2.gz UAECBFDMOQVXEW-CMPLNLGQSA-N -1 1 386.441 1.060 20 0 GDADMM O=C(NC[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)c1ccoc1Cl ZINC001571271642 945647038 /nfs/dbraw/zinc/64/70/38/945647038.db2.gz GFHOYQFNSGDJJM-RTCCRHLQSA-N -1 1 386.803 1.015 20 0 GDADMM O=C(NC[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)c1ccoc1Cl ZINC001571271642 945647043 /nfs/dbraw/zinc/64/70/43/945647043.db2.gz GFHOYQFNSGDJJM-RTCCRHLQSA-N -1 1 386.803 1.015 20 0 GDADMM CO[C@H](C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)C1CCCCC1 ZINC001571272837 945671317 /nfs/dbraw/zinc/67/13/17/945671317.db2.gz JFMZFDDBBDEPCY-ZFWWWQNUSA-N -1 1 386.460 1.265 20 0 GDADMM CO[C@H](C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)C1CCCCC1 ZINC001571272837 945671323 /nfs/dbraw/zinc/67/13/23/945671323.db2.gz JFMZFDDBBDEPCY-ZFWWWQNUSA-N -1 1 386.460 1.265 20 0 GDADMM O=C(NC[C@H]1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)CC1)[C@H]1CCOC1 ZINC001571272873 945673596 /nfs/dbraw/zinc/67/35/96/945673596.db2.gz JTWGNJWUPDSQIS-IHRRRGAJSA-N -1 1 386.460 1.028 20 0 GDADMM O=C(NC[C@H]1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)CC1)[C@H]1CCOC1 ZINC001571272873 945673602 /nfs/dbraw/zinc/67/36/02/945673602.db2.gz JTWGNJWUPDSQIS-IHRRRGAJSA-N -1 1 386.460 1.028 20 0 GDADMM O=C([C@@H]1CCCOC1)N1CCCCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571272843 945673843 /nfs/dbraw/zinc/67/38/43/945673843.db2.gz JJNMEBLTKUZXMH-KGLIPLIRSA-N -1 1 386.460 1.266 20 0 GDADMM O=C([C@@H]1CCCOC1)N1CCCCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571272843 945673851 /nfs/dbraw/zinc/67/38/51/945673851.db2.gz JJNMEBLTKUZXMH-KGLIPLIRSA-N -1 1 386.460 1.266 20 0 GDADMM O=C([C@@H]1CCCOC1)N1CCCCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571272845 945673912 /nfs/dbraw/zinc/67/39/12/945673912.db2.gz JJNMEBLTKUZXMH-ZIAGYGMSSA-N -1 1 386.460 1.266 20 0 GDADMM O=C([C@@H]1CCCOC1)N1CCCCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571272845 945673916 /nfs/dbraw/zinc/67/39/16/945673916.db2.gz JJNMEBLTKUZXMH-ZIAGYGMSSA-N -1 1 386.460 1.266 20 0 GDADMM CCc1nc(NC[C@H]2CCCN2C(=O)C2CC(OC)C2)cc(-c2nnn[n-]2)n1 ZINC001571273262 945684249 /nfs/dbraw/zinc/68/42/49/945684249.db2.gz UGEOGMFUDVEMAX-OTTFEQOBSA-N -1 1 386.460 1.047 20 0 GDADMM CCc1nc(NC[C@H]2CCCN2C(=O)C2CC(OC)C2)cc(-c2nn[n-]n2)n1 ZINC001571273262 945684255 /nfs/dbraw/zinc/68/42/55/945684255.db2.gz UGEOGMFUDVEMAX-OTTFEQOBSA-N -1 1 386.460 1.047 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CN(C(=O)C[C@H](C)C3CC3)CCO2)n1 ZINC001571273477 945689169 /nfs/dbraw/zinc/68/91/69/945689169.db2.gz YBDPXWWIGGVKRX-FZMZJTMJSA-N -1 1 386.460 1.041 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CN(C(=O)C[C@H](C)C3CC3)CCO2)n1 ZINC001571273477 945689174 /nfs/dbraw/zinc/68/91/74/945689174.db2.gz YBDPXWWIGGVKRX-FZMZJTMJSA-N -1 1 386.460 1.041 20 0 GDADMM O=C(CC1(O)CCC1)N1CCCCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571273542 945690816 /nfs/dbraw/zinc/69/08/16/945690816.db2.gz ZMABYFPPADQGMZ-ZDUSSCGKSA-N -1 1 386.460 1.145 20 0 GDADMM O=C(CC1(O)CCC1)N1CCCCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571273542 945690822 /nfs/dbraw/zinc/69/08/22/945690822.db2.gz ZMABYFPPADQGMZ-ZDUSSCGKSA-N -1 1 386.460 1.145 20 0 GDADMM O=C(NC[C@H](n1cccn1)C(F)(F)F)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001571275511 945707180 /nfs/dbraw/zinc/70/71/80/945707180.db2.gz VIOZRGRXYYBNCF-JTQLQIEISA-N -1 1 387.272 1.875 20 0 GDADMM O=C(NC[C@H](n1cccn1)C(F)(F)F)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001571275511 945707185 /nfs/dbraw/zinc/70/71/85/945707185.db2.gz VIOZRGRXYYBNCF-JTQLQIEISA-N -1 1 387.272 1.875 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ncc(F)cc1F ZINC001571275601 945709431 /nfs/dbraw/zinc/70/94/31/945709431.db2.gz YLVIJLLYPXAMRB-KCJUWKMLSA-N -1 1 387.354 1.045 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ncc(F)cc1F ZINC001571275601 945709436 /nfs/dbraw/zinc/70/94/36/945709436.db2.gz YLVIJLLYPXAMRB-KCJUWKMLSA-N -1 1 387.354 1.045 20 0 GDADMM O=C(Nc1ccc(Oc2ccnc(-c3nnn[n-]3)c2)cc1)N[C@H](CO)CCF ZINC001571275587 945709535 /nfs/dbraw/zinc/70/95/35/945709535.db2.gz XZSNULDYDSWFPS-LBPRGKRZSA-N -1 1 387.375 1.896 20 0 GDADMM O=C(Nc1ccc(Oc2ccnc(-c3nn[n-]n3)c2)cc1)N[C@H](CO)CCF ZINC001571275587 945709543 /nfs/dbraw/zinc/70/95/43/945709543.db2.gz XZSNULDYDSWFPS-LBPRGKRZSA-N -1 1 387.375 1.896 20 0 GDADMM C[C@@]1(C(=O)N2CCC(CCNc3ccc(-c4nnn[n-]4)nn3)CC2)CCOC1 ZINC001571275715 945713693 /nfs/dbraw/zinc/71/36/93/945713693.db2.gz BGFFMGPEWIQMRL-GOSISDBHSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@@]1(C(=O)N2CCC(CCNc3ccc(-c4nn[n-]n4)nn3)CC2)CCOC1 ZINC001571275715 945713697 /nfs/dbraw/zinc/71/36/97/945713697.db2.gz BGFFMGPEWIQMRL-GOSISDBHSA-N -1 1 386.460 1.124 20 0 GDADMM CCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCN(C(=O)[C@H]2CO[C@@H](C)C2)CC1 ZINC001571276099 945726248 /nfs/dbraw/zinc/72/62/48/945726248.db2.gz HDLVMDLLHJGDFC-QWHCGFSZSA-N -1 1 386.460 1.265 20 0 GDADMM CCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCN(C(=O)[C@H]2CO[C@@H](C)C2)CC1 ZINC001571276099 945726258 /nfs/dbraw/zinc/72/62/58/945726258.db2.gz HDLVMDLLHJGDFC-QWHCGFSZSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H]1OCC[C@H]1C(=O)N1CCC(CCNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571278506 945752548 /nfs/dbraw/zinc/75/25/48/945752548.db2.gz OMCLIJRUPHKURN-GXTWGEPZSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H]1OCC[C@H]1C(=O)N1CCC(CCNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571278506 945752561 /nfs/dbraw/zinc/75/25/61/945752561.db2.gz OMCLIJRUPHKURN-GXTWGEPZSA-N -1 1 386.460 1.122 20 0 GDADMM CCO[C@H]1C[C@@H]1C(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571278682 945758130 /nfs/dbraw/zinc/75/81/30/945758130.db2.gz QRKIUIOFINOGMU-ABHRYQDASA-N -1 1 386.460 1.169 20 0 GDADMM CCO[C@H]1C[C@@H]1C(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571278682 945758134 /nfs/dbraw/zinc/75/81/34/945758134.db2.gz QRKIUIOFINOGMU-ABHRYQDASA-N -1 1 386.460 1.169 20 0 GDADMM CC1(C(=O)N2CCC[C@@](CO)(Nc3cnc(-c4nnn[n-]4)cn3)C2)CCCC1 ZINC001571279380 945777811 /nfs/dbraw/zinc/77/78/11/945777811.db2.gz WBHPRWIRKWQPFJ-GOSISDBHSA-N -1 1 386.460 1.002 20 0 GDADMM CC1(C(=O)N2CCC[C@@](CO)(Nc3cnc(-c4nn[n-]n4)cn3)C2)CCCC1 ZINC001571279380 945777814 /nfs/dbraw/zinc/77/78/14/945777814.db2.gz WBHPRWIRKWQPFJ-GOSISDBHSA-N -1 1 386.460 1.002 20 0 GDADMM CCn1ccc(C(=O)N2C[C@@H](Nc3snc(C)c3-c3nn[n-]n3)C[C@H]2C)n1 ZINC001571281027 945795598 /nfs/dbraw/zinc/79/55/98/945795598.db2.gz BIJDGLPGJBEGEQ-KOLCDFICSA-N -1 1 387.473 1.563 20 0 GDADMM Cc1nsc(N[C@H]2C[C@@H](NC(=O)c3cn(C(C)C)cn3)C2)c1-c1nn[n-]n1 ZINC001571281763 945812541 /nfs/dbraw/zinc/81/25/41/945812541.db2.gz NKUQTEMYOOBEOY-PHIMTYICSA-N -1 1 387.473 1.782 20 0 GDADMM CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001573450294 945820754 /nfs/dbraw/zinc/82/07/54/945820754.db2.gz BZVRJJJQRBJEDT-HNNXBMFYSA-N -1 1 380.412 1.075 20 0 GDADMM CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001573450294 945820762 /nfs/dbraw/zinc/82/07/62/945820762.db2.gz BZVRJJJQRBJEDT-HNNXBMFYSA-N -1 1 380.412 1.075 20 0 GDADMM CCn1cc(C(=O)N(C)[C@H]2CCN(c3snc(C)c3-c3nn[n-]n3)C2)cn1 ZINC001571282463 945848357 /nfs/dbraw/zinc/84/83/57/945848357.db2.gz ZLPBXFZEFDRXSP-LBPRGKRZSA-N -1 1 387.473 1.199 20 0 GDADMM C[C@@H]1CC[C@@H](NC(=O)c2ccc(Cl)[nH]2)CN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571285058 945911451 /nfs/dbraw/zinc/91/14/51/945911451.db2.gz XSOKTIATMJNFPV-NXEZZACHSA-N -1 1 387.835 1.426 20 0 GDADMM O=C(NC[C@@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1)c1ccc(Cl)[nH]1 ZINC001571285684 945925441 /nfs/dbraw/zinc/92/54/41/945925441.db2.gz LQXUJEWUCKIRBC-JTQLQIEISA-N -1 1 387.835 1.427 20 0 GDADMM O=C(NC[C@@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1)c1ccc(Cl)[nH]1 ZINC001571285684 945925443 /nfs/dbraw/zinc/92/54/43/945925443.db2.gz LQXUJEWUCKIRBC-JTQLQIEISA-N -1 1 387.835 1.427 20 0 GDADMM O=C(N[C@H]1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1)c1cc(Cl)c[nH]1 ZINC001571286038 945935187 /nfs/dbraw/zinc/93/51/87/945935187.db2.gz VOTXCVBVHYBBDY-ONGXEEELSA-N -1 1 387.835 1.649 20 0 GDADMM O=C(N[C@H]1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1)c1cc(Cl)c[nH]1 ZINC001571286038 945935196 /nfs/dbraw/zinc/93/51/96/945935196.db2.gz VOTXCVBVHYBBDY-ONGXEEELSA-N -1 1 387.835 1.649 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@]2(C[C@H]2C(=O)Nc2c[nH]nc2-c2nn[n-]n2)C1 ZINC001571286333 945945308 /nfs/dbraw/zinc/94/53/08/945945308.db2.gz FCFYJJSPQKYTCM-BTDLBPIBSA-N -1 1 388.432 1.566 20 0 GDADMM COc1ccc(C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)cc1F ZINC001571286613 945951919 /nfs/dbraw/zinc/95/19/19/945951919.db2.gz MIIXIEXFIWDTDO-UHFFFAOYSA-N -1 1 388.428 1.690 20 0 GDADMM CC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)c2ccc(F)s2)CC1 ZINC001571287030 945966736 /nfs/dbraw/zinc/96/67/36/945966736.db2.gz YMFXFKXQGWWXGU-UHFFFAOYSA-N -1 1 388.432 1.964 20 0 GDADMM CC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)c2ccc(F)s2)CC1 ZINC001571287030 945966752 /nfs/dbraw/zinc/96/67/52/945966752.db2.gz YMFXFKXQGWWXGU-UHFFFAOYSA-N -1 1 388.432 1.964 20 0 GDADMM CC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)[C@H]2CCC[C@@H](F)C2)CC1 ZINC001571287402 945972167 /nfs/dbraw/zinc/97/21/67/945972167.db2.gz CYPABJFEKIWIPQ-QWHCGFSZSA-N -1 1 388.451 1.400 20 0 GDADMM O=C(c1ccc(C2CC2)cc1)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571287469 945973202 /nfs/dbraw/zinc/97/32/02/945973202.db2.gz FATPVQHKSORCJE-HOTGVXAUSA-N -1 1 388.435 1.637 20 0 GDADMM O=C(c1ccc(C2CC2)cc1)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571287469 945973209 /nfs/dbraw/zinc/97/32/09/945973209.db2.gz FATPVQHKSORCJE-HOTGVXAUSA-N -1 1 388.435 1.637 20 0 GDADMM CC1(C)CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1NC(=O)C1CCC(F)CC1 ZINC001571288734 945990996 /nfs/dbraw/zinc/99/09/96/945990996.db2.gz SEYMIUIDYMKICP-YIZWMMSDSA-N -1 1 388.451 1.516 20 0 GDADMM CC1(C)CN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1NC(=O)C1CCC(F)CC1 ZINC001571288734 945990998 /nfs/dbraw/zinc/99/09/98/945990998.db2.gz SEYMIUIDYMKICP-YIZWMMSDSA-N -1 1 388.451 1.516 20 0 GDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CCN(C(=O)C2(F)CCCC2)CC1 ZINC001571288884 945993967 /nfs/dbraw/zinc/99/39/67/945993967.db2.gz UASRWAKJEPNYPF-GFCCVEGCSA-N -1 1 388.451 1.978 20 0 GDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CCN(C(=O)C2(F)CCCC2)CC1 ZINC001571288884 945993972 /nfs/dbraw/zinc/99/39/72/945993972.db2.gz UASRWAKJEPNYPF-GFCCVEGCSA-N -1 1 388.451 1.978 20 0 GDADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCCN(C(=O)C2(CF)CCC2)C1 ZINC001571289276 946000929 /nfs/dbraw/zinc/00/09/29/946000929.db2.gz YTHXNGHZHUNAQH-QWHCGFSZSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCCN(C(=O)C2(CF)CCC2)C1 ZINC001571289276 946000938 /nfs/dbraw/zinc/00/09/38/946000938.db2.gz YTHXNGHZHUNAQH-QWHCGFSZSA-N -1 1 388.451 1.836 20 0 GDADMM Cc1nsc(N2CC[C@@H](NC(=O)Cc3ccon3)C[C@@H]2C)c1-c1nn[n-]n1 ZINC001571289403 946005112 /nfs/dbraw/zinc/00/51/12/946005112.db2.gz BWHVCEYXFLZRBP-GXSJLCMTSA-N -1 1 388.457 1.336 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)Cc2cnoc2)CCN1c1snc(C)c1-c1nn[n-]n1 ZINC001571289510 946009046 /nfs/dbraw/zinc/00/90/46/946009046.db2.gz GGLGBHUMJRCEDO-NWDGAFQWSA-N -1 1 388.457 1.336 20 0 GDADMM CCc1nc(C(=O)N2CCC(Nc3snc(C)c3-c3nn[n-]n3)CC2)co1 ZINC001571289525 946009546 /nfs/dbraw/zinc/00/95/46/946009546.db2.gz GTOFWABMHNTJIA-UHFFFAOYSA-N -1 1 388.457 1.899 20 0 GDADMM CC[C@@H](F)C(=O)N1CCC([C@H]2CCCN2c2nccnc2-c2nnn[n-]2)CC1 ZINC001571289592 946011294 /nfs/dbraw/zinc/01/12/94/946011294.db2.gz ILYXHQUQWAAWJJ-ZIAGYGMSSA-N -1 1 388.451 1.612 20 0 GDADMM CC[C@@H](F)C(=O)N1CCC([C@H]2CCCN2c2nccnc2-c2nn[n-]n2)CC1 ZINC001571289592 946011305 /nfs/dbraw/zinc/01/13/05/946011305.db2.gz ILYXHQUQWAAWJJ-ZIAGYGMSSA-N -1 1 388.451 1.612 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(NC(=O)[C@H]3CCC[C@H](F)C3)CC2)n1 ZINC001571289624 946011832 /nfs/dbraw/zinc/01/18/32/946011832.db2.gz IWHORGAAKVODBJ-STQMWFEESA-N -1 1 388.451 1.578 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(NC(=O)[C@H]3CCC[C@H](F)C3)CC2)n1 ZINC001571289624 946011844 /nfs/dbraw/zinc/01/18/44/946011844.db2.gz IWHORGAAKVODBJ-STQMWFEESA-N -1 1 388.451 1.578 20 0 GDADMM CC[C@H](F)C(=O)N1CCC([C@H]2CCCN2c2nccnc2-c2nnn[n-]2)CC1 ZINC001571289591 946013212 /nfs/dbraw/zinc/01/32/12/946013212.db2.gz ILYXHQUQWAAWJJ-UONOGXRCSA-N -1 1 388.451 1.612 20 0 GDADMM CC[C@H](F)C(=O)N1CCC([C@H]2CCCN2c2nccnc2-c2nn[n-]n2)CC1 ZINC001571289591 946013219 /nfs/dbraw/zinc/01/32/19/946013219.db2.gz ILYXHQUQWAAWJJ-UONOGXRCSA-N -1 1 388.451 1.612 20 0 GDADMM Cc1ccc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c(N2CCOCC2)c1 ZINC000822237071 946020823 /nfs/dbraw/zinc/02/08/23/946020823.db2.gz CZLFSAIRSUCOLJ-UHFFFAOYSA-N -1 1 397.443 1.067 20 0 GDADMM Cc1ccc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c(N2CCOCC2)c1 ZINC000822237071 946020831 /nfs/dbraw/zinc/02/08/31/946020831.db2.gz CZLFSAIRSUCOLJ-UHFFFAOYSA-N -1 1 397.443 1.067 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@](CO)(Nc2cncc(-c3nnn[n-]3)n2)C1)C(C)(C)C ZINC001571289949 946022478 /nfs/dbraw/zinc/02/24/78/946022478.db2.gz QKQPKEDHKOLRNF-SGTLLEGYSA-N -1 1 388.476 1.104 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@](CO)(Nc2cncc(-c3nn[n-]n3)n2)C1)C(C)(C)C ZINC001571289949 946022487 /nfs/dbraw/zinc/02/24/87/946022487.db2.gz QKQPKEDHKOLRNF-SGTLLEGYSA-N -1 1 388.476 1.104 20 0 GDADMM Cc1nsc(N2CC[C@H](NC(=O)c3ncoc3C)C[C@@H]2C)c1-c1nn[n-]n1 ZINC001571290059 946027993 /nfs/dbraw/zinc/02/79/93/946027993.db2.gz UEPKWPMBRXPHDC-KWQFWETISA-N -1 1 388.457 1.715 20 0 GDADMM CN(c1nccnc1-c1nnn[n-]1)[C@@H]1CCCN(C(=O)c2ccc(Cl)o2)C1 ZINC001571290751 946053097 /nfs/dbraw/zinc/05/30/97/946053097.db2.gz NVGLOSSNARGHMP-SNVBAGLBSA-N -1 1 388.819 1.644 20 0 GDADMM CN(c1nccnc1-c1nn[n-]n1)[C@@H]1CCCN(C(=O)c2ccc(Cl)o2)C1 ZINC001571290751 946053111 /nfs/dbraw/zinc/05/31/11/946053111.db2.gz NVGLOSSNARGHMP-SNVBAGLBSA-N -1 1 388.819 1.644 20 0 GDADMM Cc1cccc2c1C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)CO2 ZINC001571291225 946070591 /nfs/dbraw/zinc/07/05/91/946070591.db2.gz GPJFSLUUCAUEDM-NSHDSACASA-N -1 1 389.412 1.596 20 0 GDADMM Cc1cccc2c1C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)CO2 ZINC001571291225 946070602 /nfs/dbraw/zinc/07/06/02/946070602.db2.gz GPJFSLUUCAUEDM-NSHDSACASA-N -1 1 389.412 1.596 20 0 GDADMM CCOC(=O)c1sc(NC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)nc1C ZINC001571292197 946089647 /nfs/dbraw/zinc/08/96/47/946089647.db2.gz VJGZNOZUKMHSGR-UHFFFAOYSA-N -1 1 389.397 1.470 20 0 GDADMM Cc1nsc(NC[C@@H]2CN(C(=O)c3cnon3)CC[C@H]2C)c1-c1nn[n-]n1 ZINC001571293508 946107655 /nfs/dbraw/zinc/10/76/55/946107655.db2.gz KBHOCOKFEGVZRF-PSASIEDQSA-N -1 1 389.445 1.225 20 0 GDADMM O=C([C@@H]1CC1(F)F)N1CCC[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001571294278 946130416 /nfs/dbraw/zinc/13/04/16/946130416.db2.gz DAMCRRWQYJIVST-MEDUHNTESA-N -1 1 390.398 1.131 20 0 GDADMM O=C([C@@H]1CC1(F)F)N1CCC[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001571294278 946130422 /nfs/dbraw/zinc/13/04/22/946130422.db2.gz DAMCRRWQYJIVST-MEDUHNTESA-N -1 1 390.398 1.131 20 0 GDADMM O=C([C@@H]1CCC(F)(F)C1)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001571294612 946137929 /nfs/dbraw/zinc/13/79/29/946137929.db2.gz KCTLGQVCPLAEFS-NTZNESFSSA-N -1 1 390.398 1.129 20 0 GDADMM O=C([C@@H]1CCC(F)(F)C1)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001571294612 946137936 /nfs/dbraw/zinc/13/79/36/946137936.db2.gz KCTLGQVCPLAEFS-NTZNESFSSA-N -1 1 390.398 1.129 20 0 GDADMM O=C(c1cc(C(F)F)n[nH]1)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571294851 946145092 /nfs/dbraw/zinc/14/50/92/946145092.db2.gz NOBVTVQZXQTOCA-QMMMGPOBSA-N -1 1 390.358 1.034 20 0 GDADMM O=C(c1cc(C(F)F)n[nH]1)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571294851 946145099 /nfs/dbraw/zinc/14/50/99/946145099.db2.gz NOBVTVQZXQTOCA-QMMMGPOBSA-N -1 1 390.358 1.034 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@](C)(NC(=O)[C@@H]3Cc4ccccc43)C2)n1 ZINC001571298197 946208855 /nfs/dbraw/zinc/20/88/55/946208855.db2.gz CBVNHZGTPFJPRJ-FOIQADDNSA-N -1 1 390.451 1.390 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@](C)(NC(=O)[C@@H]3Cc4ccccc43)C2)n1 ZINC001571298197 946208865 /nfs/dbraw/zinc/20/88/65/946208865.db2.gz CBVNHZGTPFJPRJ-FOIQADDNSA-N -1 1 390.451 1.390 20 0 GDADMM C=Cc1ccc(C(=O)N[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CC2(C)C)cc1 ZINC001571298582 946222219 /nfs/dbraw/zinc/22/22/19/946222219.db2.gz HFHVYFMSSNCXPH-INIZCTEOSA-N -1 1 390.451 1.945 20 0 GDADMM C=Cc1ccc(C(=O)N[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CC2(C)C)cc1 ZINC001571298582 946222229 /nfs/dbraw/zinc/22/22/29/946222229.db2.gz HFHVYFMSSNCXPH-INIZCTEOSA-N -1 1 390.451 1.945 20 0 GDADMM CN(C(=O)[C@H]1C[C@@H]1c1ccccc1)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571299132 946241397 /nfs/dbraw/zinc/24/13/97/946241397.db2.gz OEPTVVOTHKOSQL-XHSDSOJGSA-N -1 1 390.451 1.498 20 0 GDADMM CN(C(=O)[C@H]1C[C@@H]1c1ccccc1)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571299132 946241407 /nfs/dbraw/zinc/24/14/07/946241407.db2.gz OEPTVVOTHKOSQL-XHSDSOJGSA-N -1 1 390.451 1.498 20 0 GDADMM Cc1nsc(N2C[C@H](NC(=O)c3cscn3)CC[C@@H]2C)c1-c1nn[n-]n1 ZINC001571299577 946253681 /nfs/dbraw/zinc/25/36/81/946253681.db2.gz XQFQEEPOKAPGDG-WCBMZHEXSA-N -1 1 390.498 1.875 20 0 GDADMM C[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CN1C(=O)c1cccc2c1CCC2 ZINC001571300058 946269302 /nfs/dbraw/zinc/26/93/02/946269302.db2.gz ZMIVALJMSORGLC-GXTWGEPZSA-N -1 1 390.451 1.861 20 0 GDADMM C[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CN1C(=O)c1cccc2c1CCC2 ZINC001571300058 946269313 /nfs/dbraw/zinc/26/93/13/946269313.db2.gz ZMIVALJMSORGLC-GXTWGEPZSA-N -1 1 390.451 1.861 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@@H]3[C@H]2CCN3c2ccc(-c3nnn[n-]3)nn2)ccn1 ZINC001571302568 946306978 /nfs/dbraw/zinc/30/69/78/946306978.db2.gz BQWAHXUTUFSFLR-HZPDHXFCSA-N -1 1 391.439 1.244 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@@H]3[C@H]2CCN3c2ccc(-c3nn[n-]n3)nn2)ccn1 ZINC001571302568 946306990 /nfs/dbraw/zinc/30/69/90/946306990.db2.gz BQWAHXUTUFSFLR-HZPDHXFCSA-N -1 1 391.439 1.244 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)c1ccc(C2CC2)cn1 ZINC001571302658 946310266 /nfs/dbraw/zinc/31/02/66/946310266.db2.gz DQEIYXJYFFXLQZ-YEORSEQZSA-N -1 1 391.439 1.550 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)c1ccc(C2CC2)cn1 ZINC001571302658 946310275 /nfs/dbraw/zinc/31/02/75/946310275.db2.gz DQEIYXJYFFXLQZ-YEORSEQZSA-N -1 1 391.439 1.550 20 0 GDADMM Cc1cncc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(c2ccnc(-c4nn[n-]n4)n2)C3)c1 ZINC001571302679 946311440 /nfs/dbraw/zinc/31/14/40/946311440.db2.gz FQKRCBLIPNXCPU-CFVMTHIKSA-N -1 1 391.439 1.147 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C23CCC3)cn1 ZINC001571302850 946314650 /nfs/dbraw/zinc/31/46/50/946314650.db2.gz HREALZQJIQHZJN-GJZGRUSLSA-N -1 1 391.439 1.513 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C23CCC3)cn1 ZINC001571302850 946314663 /nfs/dbraw/zinc/31/46/63/946314663.db2.gz HREALZQJIQHZJN-GJZGRUSLSA-N -1 1 391.439 1.513 20 0 GDADMM O=C(c1ccncc1)N1CCC[C@@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001571303277 946331918 /nfs/dbraw/zinc/33/19/18/946331918.db2.gz NHNMNPVZSONYSA-IBGZPJMESA-N -1 1 391.439 1.184 20 0 GDADMM O=C(c1ccncc1)N1CCC[C@@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001571303277 946331931 /nfs/dbraw/zinc/33/19/31/946331931.db2.gz NHNMNPVZSONYSA-IBGZPJMESA-N -1 1 391.439 1.184 20 0 GDADMM O=C(c1cccnc1C1CC1)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571303611 946342213 /nfs/dbraw/zinc/34/22/13/946342213.db2.gz UKMZPLAXCDWJAZ-CYBMUJFWSA-N -1 1 391.439 1.646 20 0 GDADMM O=C(c1cccnc1C1CC1)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571303611 946342228 /nfs/dbraw/zinc/34/22/28/946342228.db2.gz UKMZPLAXCDWJAZ-CYBMUJFWSA-N -1 1 391.439 1.646 20 0 GDADMM Cc1cccc(C(=O)N[C@@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C23CCC3)n1 ZINC001571303762 946347865 /nfs/dbraw/zinc/34/78/65/946347865.db2.gz XIHXJXPEBQTLLI-HUUCEWRRSA-N -1 1 391.439 1.513 20 0 GDADMM Cc1cccc(C(=O)N[C@@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C23CCC3)n1 ZINC001571303762 946347878 /nfs/dbraw/zinc/34/78/78/946347878.db2.gz XIHXJXPEBQTLLI-HUUCEWRRSA-N -1 1 391.439 1.513 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)n1 ZINC001571304010 946355559 /nfs/dbraw/zinc/35/55/59/946355559.db2.gz VHZJAJMFRRSVDE-PBKGOJFUSA-N -1 1 391.439 1.040 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)n1 ZINC001571304010 946355570 /nfs/dbraw/zinc/35/55/70/946355570.db2.gz VHZJAJMFRRSVDE-PBKGOJFUSA-N -1 1 391.439 1.040 20 0 GDADMM C[C@@H]1CN(C(=O)C2(c3cccnc3)CC2)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571304142 946361883 /nfs/dbraw/zinc/36/18/83/946361883.db2.gz YWNJDHQESPRWOK-DOMZBBRYSA-N -1 1 391.439 1.042 20 0 GDADMM C[C@@H]1CN(C(=O)C2(c3cccnc3)CC2)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571304142 946361894 /nfs/dbraw/zinc/36/18/94/946361894.db2.gz YWNJDHQESPRWOK-DOMZBBRYSA-N -1 1 391.439 1.042 20 0 GDADMM Cc1nsc(NC2(C)CCN(C(=O)[C@H]3CCCCO3)CC2)c1-c1nn[n-]n1 ZINC001571305513 946366312 /nfs/dbraw/zinc/36/63/12/946366312.db2.gz CSUWHXOOCNUHQQ-GFCCVEGCSA-N -1 1 391.501 1.994 20 0 GDADMM Cc1nnsc1C(=O)N1CCC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571305559 946366484 /nfs/dbraw/zinc/36/64/84/946366484.db2.gz FEHLAXASNAFIFH-SECBINFHSA-N -1 1 391.486 1.508 20 0 GDADMM Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)C3CCCCCC3)C2)c1-c1nn[n-]n1 ZINC001571305524 946367357 /nfs/dbraw/zinc/36/73/57/946367357.db2.gz DAPBZDRCROQZDY-CHWSQXEVSA-N -1 1 391.501 1.268 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H](Nc3snc(Cl)c3-c3nnn[n-]3)C2)ncn1 ZINC001571305873 946377530 /nfs/dbraw/zinc/37/75/30/946377530.db2.gz MRWHCUKXITWKIO-MRVPVSSYSA-N -1 1 391.848 1.402 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H](Nc3snc(Cl)c3-c3nn[n-]n3)C2)ncn1 ZINC001571305873 946377542 /nfs/dbraw/zinc/37/75/42/946377542.db2.gz MRWHCUKXITWKIO-MRVPVSSYSA-N -1 1 391.848 1.402 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2[C@H]3CN(c4nc(Cl)c(-c5nnn[n-]5)s4)C[C@H]32)co1 ZINC001571305888 946379319 /nfs/dbraw/zinc/37/93/19/946379319.db2.gz MZMKZQUQXQSOHP-MYJAWHEDSA-N -1 1 391.844 1.743 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2[C@H]3CN(c4nc(Cl)c(-c5nn[n-]n5)s4)C[C@H]32)co1 ZINC001571305888 946379330 /nfs/dbraw/zinc/37/93/30/946379330.db2.gz MZMKZQUQXQSOHP-MYJAWHEDSA-N -1 1 391.844 1.743 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CC[C@@H](c2ncccn2)C1 ZINC001571306032 946386426 /nfs/dbraw/zinc/38/64/26/946386426.db2.gz ODYOBCJUVDFGPX-SNVBAGLBSA-N -1 1 391.844 1.488 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CC[C@@H](c2ncccn2)C1 ZINC001571306032 946386438 /nfs/dbraw/zinc/38/64/38/946386438.db2.gz ODYOBCJUVDFGPX-SNVBAGLBSA-N -1 1 391.844 1.488 20 0 GDADMM Cc1nsc(NC[C@@]2(C)CCN(C(=O)c3cnsn3)C2)c1-c1nn[n-]n1 ZINC001571306121 946388333 /nfs/dbraw/zinc/38/83/33/946388333.db2.gz PRRHYQZRFKMPPG-CQSZACIVSA-N -1 1 391.486 1.447 20 0 GDADMM Cc1occc1C(=O)N[C@@H]1[C@H]2CN(c3snc(Cl)c3-c3nnn[n-]3)C[C@H]21 ZINC001571306232 946392999 /nfs/dbraw/zinc/39/29/99/946392999.db2.gz QYLJEFSJPJAQOF-JZYVYDRUSA-N -1 1 391.844 1.743 20 0 GDADMM Cc1occc1C(=O)N[C@@H]1[C@H]2CN(c3snc(Cl)c3-c3nn[n-]n3)C[C@H]21 ZINC001571306232 946393007 /nfs/dbraw/zinc/39/30/07/946393007.db2.gz QYLJEFSJPJAQOF-JZYVYDRUSA-N -1 1 391.844 1.743 20 0 GDADMM Cc1ccc(C(=O)N2CCN(c3snc(Cl)c3-c3nnn[n-]3)CC2)nn1 ZINC001571306306 946393998 /nfs/dbraw/zinc/39/39/98/946393998.db2.gz RZYFHYPMZRSIQO-UHFFFAOYSA-N -1 1 391.848 1.037 20 0 GDADMM Cc1ccc(C(=O)N2CCN(c3snc(Cl)c3-c3nn[n-]n3)CC2)nn1 ZINC001571306306 946394011 /nfs/dbraw/zinc/39/40/11/946394011.db2.gz RZYFHYPMZRSIQO-UHFFFAOYSA-N -1 1 391.848 1.037 20 0 GDADMM O=C(NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1nc(Cl)cs1 ZINC001571306301 946394486 /nfs/dbraw/zinc/39/44/86/946394486.db2.gz RZDZRRVFEQFTOL-ZKCHVHJHSA-N -1 1 391.848 1.387 20 0 GDADMM O=C(NC[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1nc(Cl)cs1 ZINC001571306301 946394496 /nfs/dbraw/zinc/39/44/96/946394496.db2.gz RZDZRRVFEQFTOL-ZKCHVHJHSA-N -1 1 391.848 1.387 20 0 GDADMM CCNc1nc(CN2CCN(c3snc(C)c3-c3nn[n-]n3)CC2)cs1 ZINC001571306270 946395182 /nfs/dbraw/zinc/39/51/82/946395182.db2.gz RQQHOODBSXTDKI-UHFFFAOYSA-N -1 1 391.530 1.842 20 0 GDADMM C[C@]1(NC(=O)c2ccncn2)CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571306580 946403954 /nfs/dbraw/zinc/40/39/54/946403954.db2.gz XWVXRWXTCZHAJS-AWEZNQCLSA-N -1 1 391.848 1.165 20 0 GDADMM C[C@]1(NC(=O)c2ccncn2)CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571306580 946403964 /nfs/dbraw/zinc/40/39/64/946403964.db2.gz XWVXRWXTCZHAJS-AWEZNQCLSA-N -1 1 391.848 1.165 20 0 GDADMM O=C(N[C@@H]1CCCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1)c1ncccn1 ZINC001571306677 946407321 /nfs/dbraw/zinc/40/73/21/946407321.db2.gz ZLQKJKZITIKLGQ-MRVPVSSYSA-N -1 1 391.848 1.165 20 0 GDADMM O=C(N[C@@H]1CCCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1)c1ncccn1 ZINC001571306677 946407325 /nfs/dbraw/zinc/40/73/25/946407325.db2.gz ZLQKJKZITIKLGQ-MRVPVSSYSA-N -1 1 391.848 1.165 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)[C@H]2CCC(F)(F)C2)C1)c1nccnc1-c1nnn[n-]1 ZINC001571307602 946425117 /nfs/dbraw/zinc/42/51/17/946425117.db2.gz GELZGODOKHZUQO-RYUDHWBXSA-N -1 1 392.414 1.377 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)[C@H]2CCC(F)(F)C2)C1)c1nccnc1-c1nn[n-]n1 ZINC001571307602 946425123 /nfs/dbraw/zinc/42/51/23/946425123.db2.gz GELZGODOKHZUQO-RYUDHWBXSA-N -1 1 392.414 1.377 20 0 GDADMM O=C(C1CC(F)(F)C1)N1CCCCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571307878 946426315 /nfs/dbraw/zinc/42/63/15/946426315.db2.gz IRJIJROOVDSDSF-LBPRGKRZSA-N -1 1 392.414 1.885 20 0 GDADMM O=C(C1CC(F)(F)C1)N1CCCCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571307878 946426323 /nfs/dbraw/zinc/42/63/23/946426323.db2.gz IRJIJROOVDSDSF-LBPRGKRZSA-N -1 1 392.414 1.885 20 0 GDADMM CCc1nc(N[C@H]2CCN(C(=O)[C@H]3CCC(F)(F)C3)C2)cc(-c2nnn[n-]2)n1 ZINC001571308102 946431365 /nfs/dbraw/zinc/43/13/65/946431365.db2.gz MRSTVBZDKGXQFN-QWRGUYRKSA-N -1 1 392.414 1.667 20 0 GDADMM CCc1nc(N[C@H]2CCN(C(=O)[C@H]3CCC(F)(F)C3)C2)cc(-c2nn[n-]n2)n1 ZINC001571308102 946431371 /nfs/dbraw/zinc/43/13/71/946431371.db2.gz MRSTVBZDKGXQFN-QWRGUYRKSA-N -1 1 392.414 1.667 20 0 GDADMM O=S(=O)(NC[C@@H]1[C@@H](c2ccccc2)C1(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC001571308297 946431442 /nfs/dbraw/zinc/43/14/42/946431442.db2.gz NSJFLOPORCGESW-TZMCWYRMSA-N -1 1 392.391 1.589 20 0 GDADMM O=S(=O)(NC[C@@H]1[C@@H](c2ccccc2)C1(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC001571308297 946431448 /nfs/dbraw/zinc/43/14/48/946431448.db2.gz NSJFLOPORCGESW-TZMCWYRMSA-N -1 1 392.391 1.589 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2ccc(-c3nn[nH]n3)cn2)C12CCC2)c1ncccc1[O-] ZINC001571309698 946451963 /nfs/dbraw/zinc/45/19/63/946451963.db2.gz IBFUJNQNJFJMHR-KGLIPLIRSA-N -1 1 392.423 1.515 20 0 GDADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1Cc2cccnc2N2CCC[C@@H]2C1 ZINC001571310093 946462162 /nfs/dbraw/zinc/46/21/62/946462162.db2.gz UYQXCBKEUFVVAI-CYBMUJFWSA-N -1 1 392.423 1.296 20 0 GDADMM O=C(CC1CC(F)(F)C1)N[C@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571310124 946464421 /nfs/dbraw/zinc/46/44/21/946464421.db2.gz VYMGCUQXGOSMIS-NEPJUHHUSA-N -1 1 392.414 1.931 20 0 GDADMM O=C(CC1CC(F)(F)C1)N[C@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571310124 946464429 /nfs/dbraw/zinc/46/44/29/946464429.db2.gz VYMGCUQXGOSMIS-NEPJUHHUSA-N -1 1 392.414 1.931 20 0 GDADMM O=C(C[C@H]1CCCC1(F)F)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571310234 946466438 /nfs/dbraw/zinc/46/64/38/946466438.db2.gz ZEOYLHJVXCAEML-NEPJUHHUSA-N -1 1 392.414 1.885 20 0 GDADMM O=C(C[C@H]1CCCC1(F)F)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571310234 946466445 /nfs/dbraw/zinc/46/64/45/946466445.db2.gz ZEOYLHJVXCAEML-NEPJUHHUSA-N -1 1 392.414 1.885 20 0 GDADMM CCc1cccc(CC(=O)N2CC[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571313371 946520664 /nfs/dbraw/zinc/52/06/64/946520664.db2.gz NQJJXAWEVJAPDO-INIZCTEOSA-N -1 1 392.467 1.722 20 0 GDADMM CCc1cccc(CC(=O)N2CC[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571313371 946520674 /nfs/dbraw/zinc/52/06/74/946520674.db2.gz NQJJXAWEVJAPDO-INIZCTEOSA-N -1 1 392.467 1.722 20 0 GDADMM O=C(c1ccccc1O)N1CCC[C@@H]2[C@@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001571313621 946527909 /nfs/dbraw/zinc/52/79/09/946527909.db2.gz UWYDWQQNTWPRKB-CABCVRRESA-N -1 1 392.423 1.246 20 0 GDADMM O=C(c1ccccc1O)N1CCC[C@@H]2[C@@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001571313621 946527917 /nfs/dbraw/zinc/52/79/17/946527917.db2.gz UWYDWQQNTWPRKB-CABCVRRESA-N -1 1 392.423 1.246 20 0 GDADMM Cc1cc(C)cc(CCC(=O)N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)c1 ZINC001571315397 946553497 /nfs/dbraw/zinc/55/34/97/946553497.db2.gz JLFWIALCZFKXOU-UHFFFAOYSA-N -1 1 392.467 1.555 20 0 GDADMM Cc1cc(C)cc(CCC(=O)N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)c1 ZINC001571315397 946553512 /nfs/dbraw/zinc/55/35/12/946553512.db2.gz JLFWIALCZFKXOU-UHFFFAOYSA-N -1 1 392.467 1.555 20 0 GDADMM Cc1cc(C)cc(CC(=O)NC2CC(CNc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571315801 946557489 /nfs/dbraw/zinc/55/74/89/946557489.db2.gz OKIDWWXQITUXES-UHFFFAOYSA-N -1 1 392.467 1.245 20 0 GDADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000824024561 946558000 /nfs/dbraw/zinc/55/80/00/946558000.db2.gz JVTJLPWINBEWDS-QGZVFWFLSA-N -1 1 382.376 1.594 20 0 GDADMM Cc1cc(C)cc(CC(=O)N[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571316003 946563029 /nfs/dbraw/zinc/56/30/29/946563029.db2.gz RKBXIRCVIQIFTQ-INIZCTEOSA-N -1 1 392.467 1.601 20 0 GDADMM Cc1ccccc1C(C)(C)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571316562 946583122 /nfs/dbraw/zinc/58/31/22/946583122.db2.gz GLKZMFHZJCJNIJ-UHFFFAOYSA-N -1 1 392.467 1.592 20 0 GDADMM Cc1ccccc1C(C)(C)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571316562 946583128 /nfs/dbraw/zinc/58/31/28/946583128.db2.gz GLKZMFHZJCJNIJ-UHFFFAOYSA-N -1 1 392.467 1.592 20 0 GDADMM Cc1ccccc1CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C ZINC001571317100 946599465 /nfs/dbraw/zinc/59/94/65/946599465.db2.gz VEHGXFPGGOHOLG-OAHLLOKOSA-N -1 1 392.467 1.539 20 0 GDADMM Cc1ccccc1CC(=O)N[C@H]1CC[C@H](C)N(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571317196 946601221 /nfs/dbraw/zinc/60/12/21/946601221.db2.gz XVMJWXRGQMPCOX-HOCLYGCPSA-N -1 1 392.467 1.681 20 0 GDADMM Cc1ccccc1CC(=O)N[C@H]1CC[C@H](C)N(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571317196 946601227 /nfs/dbraw/zinc/60/12/27/946601227.db2.gz XVMJWXRGQMPCOX-HOCLYGCPSA-N -1 1 392.467 1.681 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ccn(C)c2)CCN1c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001571317309 946607032 /nfs/dbraw/zinc/60/70/32/946607032.db2.gz BTLHMXWQWGVLMP-SCZZXKLOSA-N -1 1 392.876 1.712 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ccn(C)c2)CCN1c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001571317309 946607035 /nfs/dbraw/zinc/60/70/35/946607035.db2.gz BTLHMXWQWGVLMP-SCZZXKLOSA-N -1 1 392.876 1.712 20 0 GDADMM Cn1cccc1C(=O)NC[C@H]1C[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571317286 946607047 /nfs/dbraw/zinc/60/70/47/946607047.db2.gz AZYOZYUWRKALHO-KYZUINATSA-N -1 1 392.876 1.936 20 0 GDADMM Cn1cccc1C(=O)NC[C@H]1C[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571317286 946607056 /nfs/dbraw/zinc/60/70/56/946607056.db2.gz AZYOZYUWRKALHO-KYZUINATSA-N -1 1 392.876 1.936 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1)n1cccc1 ZINC001571317925 946623224 /nfs/dbraw/zinc/62/32/24/946623224.db2.gz YTZKRRGSWMLXIL-ZJUUUORDSA-N -1 1 392.876 1.734 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1)n1cccc1 ZINC001571317925 946623233 /nfs/dbraw/zinc/62/32/33/946623233.db2.gz YTZKRRGSWMLXIL-ZJUUUORDSA-N -1 1 392.876 1.734 20 0 GDADMM C[C@@H]1[C@H](C)N(C(=O)c2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)OC(C)(C)C ZINC000824860883 946955401 /nfs/dbraw/zinc/95/54/01/946955401.db2.gz YSSGSFHGWCUUAO-NWDGAFQWSA-N -1 1 387.444 1.732 20 0 GDADMM C[C@@H]1[C@H](C)N(C(=O)c2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)OC(C)(C)C ZINC000824860883 946955407 /nfs/dbraw/zinc/95/54/07/946955407.db2.gz YSSGSFHGWCUUAO-NWDGAFQWSA-N -1 1 387.444 1.732 20 0 GDADMM C=CC(=O)Nc1ccc(C(=O)N2CCCc3nc(-c4nnn[n-]4)ccc32)cc1 ZINC001573299345 947091805 /nfs/dbraw/zinc/09/18/05/947091805.db2.gz DGFYFRAVNLTTBE-UHFFFAOYSA-N -1 1 375.392 1.979 20 0 GDADMM C=CC(=O)Nc1ccc(C(=O)N2CCCc3nc(-c4nn[n-]n4)ccc32)cc1 ZINC001573299345 947091815 /nfs/dbraw/zinc/09/18/15/947091815.db2.gz DGFYFRAVNLTTBE-UHFFFAOYSA-N -1 1 375.392 1.979 20 0 GDADMM CC[C@@H]1CN(C)c2ccccc2CN1C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825213423 947124102 /nfs/dbraw/zinc/12/41/02/947124102.db2.gz XRZRSCMQCKKJLY-CQSZACIVSA-N -1 1 381.440 1.963 20 0 GDADMM CC[C@@H]1CN(C)c2ccccc2CN1C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825213423 947124109 /nfs/dbraw/zinc/12/41/09/947124109.db2.gz XRZRSCMQCKKJLY-CQSZACIVSA-N -1 1 381.440 1.963 20 0 GDADMM CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)Cc2noc(C)c2-c2nnn[n-]2)C1 ZINC000825284862 947140597 /nfs/dbraw/zinc/14/05/97/947140597.db2.gz AURPDPWRYQHTBC-DGCLKSJQSA-N -1 1 389.460 1.249 20 0 GDADMM CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)Cc2noc(C)c2-c2nn[n-]n2)C1 ZINC000825284862 947140604 /nfs/dbraw/zinc/14/06/04/947140604.db2.gz AURPDPWRYQHTBC-DGCLKSJQSA-N -1 1 389.460 1.249 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)c2cc(C)n(C3CC3)c2C)c1-c1nn[n-]n1 ZINC000825570413 947230700 /nfs/dbraw/zinc/23/07/00/947230700.db2.gz KKGQZSASWKQYOG-UHFFFAOYSA-N -1 1 383.412 1.876 20 0 GDADMM CCOC(=O)c1cnn(Cc2nccn2Cc2ccccc2)c1-c1nn[n-]n1 ZINC000825571352 947237551 /nfs/dbraw/zinc/23/75/51/947237551.db2.gz ZGYQYKUEFNLTMY-UHFFFAOYSA-N -1 1 378.396 1.533 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H](C)c1ccccc1F ZINC001573586588 947292266 /nfs/dbraw/zinc/29/22/66/947292266.db2.gz RFCQIRIZDMYWAL-RYUDHWBXSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H](C)c1ccccc1F ZINC001573586588 947292274 /nfs/dbraw/zinc/29/22/74/947292274.db2.gz RFCQIRIZDMYWAL-RYUDHWBXSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@H](C(=O)N(C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)n1cccc1 ZINC001573592296 947332527 /nfs/dbraw/zinc/33/25/27/947332527.db2.gz IVHPKWHZDBHPME-CYBMUJFWSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@H](C(=O)N(C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)n1cccc1 ZINC001573592296 947332540 /nfs/dbraw/zinc/33/25/40/947332540.db2.gz IVHPKWHZDBHPME-CYBMUJFWSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@H](C(=O)N(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)C(F)(F)F ZINC001573592658 947344982 /nfs/dbraw/zinc/34/49/82/947344982.db2.gz DWBDVSXNFDUCDX-LDYMZIIASA-N -1 1 384.366 1.504 20 0 GDADMM C[C@H](C(=O)N(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)C(F)(F)F ZINC001573592658 947344995 /nfs/dbraw/zinc/34/49/95/947344995.db2.gz DWBDVSXNFDUCDX-LDYMZIIASA-N -1 1 384.366 1.504 20 0 GDADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCCO1 ZINC001573593687 947376087 /nfs/dbraw/zinc/37/60/87/947376087.db2.gz URSHWXKVLJCZJT-OCCSQVGLSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCCO1 ZINC001573593687 947376101 /nfs/dbraw/zinc/37/61/01/947376101.db2.gz URSHWXKVLJCZJT-OCCSQVGLSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@H](C(=O)N(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)C(C)(F)F ZINC001573593886 947379762 /nfs/dbraw/zinc/37/97/62/947379762.db2.gz MNTPGGQFWIUFJT-BXKDBHETSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@H](C(=O)N(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)C(C)(F)F ZINC001573593886 947379778 /nfs/dbraw/zinc/37/97/78/947379778.db2.gz MNTPGGQFWIUFJT-BXKDBHETSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@@H](C(=O)N(C)CCCN(C)c1nccnc1-c1nnn[n-]1)c1ccsc1 ZINC001573599237 947453114 /nfs/dbraw/zinc/45/31/14/947453114.db2.gz WMHOXRPYRSRUDD-GFCCVEGCSA-N -1 1 386.485 1.807 20 0 GDADMM C[C@@H](C(=O)N(C)CCCN(C)c1nccnc1-c1nn[n-]n1)c1ccsc1 ZINC001573599237 947453120 /nfs/dbraw/zinc/45/31/20/947453120.db2.gz WMHOXRPYRSRUDD-GFCCVEGCSA-N -1 1 386.485 1.807 20 0 GDADMM C[C@H](C(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1)c1cccc(Cl)c1 ZINC001573602863 947470261 /nfs/dbraw/zinc/47/02/61/947470261.db2.gz AFPLWMDWLPCSCK-NSHDSACASA-N -1 1 386.847 1.984 20 0 GDADMM C[C@H](C(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1)c1cccc(Cl)c1 ZINC001573602863 947470266 /nfs/dbraw/zinc/47/02/66/947470266.db2.gz AFPLWMDWLPCSCK-NSHDSACASA-N -1 1 386.847 1.984 20 0 GDADMM C[C@@H](C(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1)c1ccc(Cl)cc1 ZINC001573604268 947508548 /nfs/dbraw/zinc/50/85/48/947508548.db2.gz NECOXZBMKYSNDC-LLVKDONJSA-N -1 1 386.847 1.984 20 0 GDADMM C[C@@H](C(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1)c1ccc(Cl)cc1 ZINC001573604268 947508557 /nfs/dbraw/zinc/50/85/57/947508557.db2.gz NECOXZBMKYSNDC-LLVKDONJSA-N -1 1 386.847 1.984 20 0 GDADMM C[C@@H](C(=O)N1CCC(C)(Nc2ccnc(-c3nn[n-]n3)n2)CC1)C(C)(F)F ZINC001573613824 947571910 /nfs/dbraw/zinc/57/19/10/947571910.db2.gz AGEXZPXNLPJHDO-JTQLQIEISA-N -1 1 380.403 1.163 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CN(C)c2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001573614796 947592490 /nfs/dbraw/zinc/59/24/90/947592490.db2.gz HIWWHXQOOCOZEN-ZIAGYGMSSA-N -1 1 381.444 1.004 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CN(C)c2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001573614796 947592501 /nfs/dbraw/zinc/59/25/01/947592501.db2.gz HIWWHXQOOCOZEN-ZIAGYGMSSA-N -1 1 381.444 1.004 20 0 GDADMM C=Cc1ccc(C(=O)N2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C(C)(C)C2)cc1 ZINC001573351114 947610276 /nfs/dbraw/zinc/61/02/76/947610276.db2.gz KPRCXVXINQHBKW-OAHLLOKOSA-N -1 1 390.451 1.684 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001573616208 947619504 /nfs/dbraw/zinc/61/95/04/947619504.db2.gz VSCBDKKHKNUUBU-XIKOKIGWSA-N -1 1 382.428 1.126 20 0 GDADMM C[C@@H](C(=O)N1CCC(C)(Nc2cncc(-c3nnn[n-]3)n2)CC1)C(C)(F)F ZINC001573616802 947627825 /nfs/dbraw/zinc/62/78/25/947627825.db2.gz ODPZXNVQHWDPNE-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](C(=O)N1CCC(C)(Nc2cncc(-c3nn[n-]n3)n2)CC1)C(C)(F)F ZINC001573616802 947627827 /nfs/dbraw/zinc/62/78/27/947627827.db2.gz ODPZXNVQHWDPNE-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM C=Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)cc1 ZINC001573352211 947628402 /nfs/dbraw/zinc/62/84/02/947628402.db2.gz YWXNMFAZUAEVTD-DOMZBBRYSA-N -1 1 376.424 1.872 20 0 GDADMM C=Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)cc1 ZINC001573352211 947628407 /nfs/dbraw/zinc/62/84/07/947628407.db2.gz YWXNMFAZUAEVTD-DOMZBBRYSA-N -1 1 376.424 1.872 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CCNc2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001573617502 947636362 /nfs/dbraw/zinc/63/63/62/947636362.db2.gz PJXFQJLMGDIDNX-KGLIPLIRSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CCNc2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001573617502 947636370 /nfs/dbraw/zinc/63/63/70/947636370.db2.gz PJXFQJLMGDIDNX-KGLIPLIRSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)c1cccs1 ZINC001573617830 947641076 /nfs/dbraw/zinc/64/10/76/947641076.db2.gz NJIRFHKVDCQZGM-NEPJUHHUSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573617830 947641082 /nfs/dbraw/zinc/64/10/82/947641082.db2.gz NJIRFHKVDCQZGM-NEPJUHHUSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@@H](C(=O)N1CCC(CNc2nccnc2-c2nnn[n-]2)CC1)[C@H]1CCCO1 ZINC001573617998 947646199 /nfs/dbraw/zinc/64/61/99/947646199.db2.gz OJGWKLFPXKUOHW-TZMCWYRMSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](C(=O)N1CCC(CNc2nccnc2-c2nn[n-]n2)CC1)[C@H]1CCCO1 ZINC001573617998 947646203 /nfs/dbraw/zinc/64/62/03/947646203.db2.gz OJGWKLFPXKUOHW-TZMCWYRMSA-N -1 1 386.460 1.122 20 0 GDADMM C=Cc1ccc(C(=O)NC2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)cc1 ZINC001573356643 947652946 /nfs/dbraw/zinc/65/29/46/947652946.db2.gz ZNLXJHDDVPWSHI-UHFFFAOYSA-N -1 1 376.424 1.699 20 0 GDADMM C=Cc1ccc(C(=O)N2CCO[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001573356589 947653347 /nfs/dbraw/zinc/65/33/47/947653347.db2.gz YQMPLGVFWUCNEG-HNNXBMFYSA-N -1 1 392.423 1.253 20 0 GDADMM C=Cc1ccc(C(=O)N2CCO[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001573356589 947653350 /nfs/dbraw/zinc/65/33/50/947653350.db2.gz YQMPLGVFWUCNEG-HNNXBMFYSA-N -1 1 392.423 1.253 20 0 GDADMM C[C@@H](C(=O)N1CCC(C)(Nc2ccc(-c3nnn[n-]3)nn2)CC1)c1ccco1 ZINC001573618947 947657457 /nfs/dbraw/zinc/65/74/57/947657457.db2.gz UEFONSKXIGALKR-GFCCVEGCSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@@H](C(=O)N1CCC(C)(Nc2ccc(-c3nn[n-]n3)nn2)CC1)c1ccco1 ZINC001573618947 947657463 /nfs/dbraw/zinc/65/74/63/947657463.db2.gz UEFONSKXIGALKR-GFCCVEGCSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001573618993 947659576 /nfs/dbraw/zinc/65/95/76/947659576.db2.gz UWIKBJIMGNZAGB-NXEZZACHSA-N -1 1 384.366 1.140 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001573618993 947659585 /nfs/dbraw/zinc/65/95/85/947659585.db2.gz UWIKBJIMGNZAGB-NXEZZACHSA-N -1 1 384.366 1.140 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)N[C@H](C)[C@@H](CO)SC)c1-c1nn[n-]n1 ZINC000826231402 947677947 /nfs/dbraw/zinc/67/79/47/947677947.db2.gz JYAVNOFXIFABKH-PRHODGIISA-N -1 1 394.526 1.703 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@H]1CCCCS1 ZINC000826232734 947681962 /nfs/dbraw/zinc/68/19/62/947681962.db2.gz GOLUSVRLPDPBSZ-GFCCVEGCSA-N -1 1 376.486 1.919 20 0 GDADMM C/C(=C/C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001573362391 947703823 /nfs/dbraw/zinc/70/38/23/947703823.db2.gz KEJIEVORERADCL-MCDRHDKESA-N -1 1 380.456 1.583 20 0 GDADMM C/C(=C/C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001573362391 947703829 /nfs/dbraw/zinc/70/38/29/947703829.db2.gz KEJIEVORERADCL-MCDRHDKESA-N -1 1 380.456 1.583 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1)C(C)(F)F ZINC001573627692 947732641 /nfs/dbraw/zinc/73/26/41/947732641.db2.gz FCKLOSDGFWLRLQ-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1)C(C)(F)F ZINC001573627692 947732653 /nfs/dbraw/zinc/73/26/53/947732653.db2.gz FCKLOSDGFWLRLQ-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](C(=O)N1CC[C@@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1)C1CCC1 ZINC001573627786 947733728 /nfs/dbraw/zinc/73/37/28/947733728.db2.gz CJTJJWAEHMRGDG-ORAYPTAESA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H](C(=O)N1CC[C@@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1)C1CCC1 ZINC001573627786 947733734 /nfs/dbraw/zinc/73/37/34/947733734.db2.gz CJTJJWAEHMRGDG-ORAYPTAESA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1)c1ccco1 ZINC001573627851 947737228 /nfs/dbraw/zinc/73/72/28/947737228.db2.gz FXMQJLQFLWMHCX-STQMWFEESA-N -1 1 382.428 1.846 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1)c1ccco1 ZINC001573627851 947737238 /nfs/dbraw/zinc/73/72/38/947737238.db2.gz FXMQJLQFLWMHCX-STQMWFEESA-N -1 1 382.428 1.846 20 0 GDADMM CC(C(=O)N1CC[C@H]2[C@H](CCN2c2ccc(-c3nnn[n-]3)nn2)C1)=C1CCC1 ZINC001573628769 947762951 /nfs/dbraw/zinc/76/29/51/947762951.db2.gz JWBNQFPYBJVUIP-ZBFHGGJFSA-N -1 1 380.456 1.584 20 0 GDADMM CC(C(=O)N1CC[C@H]2[C@H](CCN2c2ccc(-c3nn[n-]n3)nn2)C1)=C1CCC1 ZINC001573628769 947762956 /nfs/dbraw/zinc/76/29/56/947762956.db2.gz JWBNQFPYBJVUIP-ZBFHGGJFSA-N -1 1 380.456 1.584 20 0 GDADMM C[C@H](C(=O)N1CC[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1)C1CCC1 ZINC001573629035 947772003 /nfs/dbraw/zinc/77/20/03/947772003.db2.gz LRMWINUBYYWUAD-ORAYPTAESA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H](C(=O)N1CC[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1)C1CCC1 ZINC001573629035 947772009 /nfs/dbraw/zinc/77/20/09/947772009.db2.gz LRMWINUBYYWUAD-ORAYPTAESA-N -1 1 382.472 1.522 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@@H]1[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573372791 947782516 /nfs/dbraw/zinc/78/25/16/947782516.db2.gz CMNPIEJYSPHLMF-UONOGXRCSA-N -1 1 386.460 1.019 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]2[C@@H]1CCN2c1cnc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001573629746 947784018 /nfs/dbraw/zinc/78/40/18/947784018.db2.gz VAFLQWXKZRKDER-SNPRPXQTSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]2[C@@H]1CCN2c1cnc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001573629746 947784025 /nfs/dbraw/zinc/78/40/25/947784025.db2.gz VAFLQWXKZRKDER-SNPRPXQTSA-N -1 1 384.488 1.909 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)[C@@H]1C ZINC001573373525 947793969 /nfs/dbraw/zinc/79/39/69/947793969.db2.gz DDTUBKVNLOUTPD-CHWSQXEVSA-N -1 1 391.501 1.864 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)C(C)(F)F ZINC001573631527 947801669 /nfs/dbraw/zinc/80/16/69/947801669.db2.gz VZFUFVMFOBSFAW-GHMZBOCLSA-N -1 1 380.403 1.375 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573631527 947801677 /nfs/dbraw/zinc/80/16/77/947801677.db2.gz VZFUFVMFOBSFAW-GHMZBOCLSA-N -1 1 380.403 1.375 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001573632003 947808667 /nfs/dbraw/zinc/80/86/67/947808667.db2.gz XWMOFFHVIIMZMU-OLZOCXBDSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001573632003 947808680 /nfs/dbraw/zinc/80/86/80/947808680.db2.gz XWMOFFHVIIMZMU-OLZOCXBDSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001573637491 947815783 /nfs/dbraw/zinc/81/57/83/947815783.db2.gz GIRBPSNOIGNIMR-UWVGGRQHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573637491 947815793 /nfs/dbraw/zinc/81/57/93/947815793.db2.gz GIRBPSNOIGNIMR-UWVGGRQHSA-N -1 1 384.366 1.648 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001573375269 947817808 /nfs/dbraw/zinc/81/78/08/947817808.db2.gz NIWMKSUGLWKHPG-KGLIPLIRSA-N -1 1 386.460 1.198 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001573375269 947817817 /nfs/dbraw/zinc/81/78/17/947817817.db2.gz NIWMKSUGLWKHPG-KGLIPLIRSA-N -1 1 386.460 1.198 20 0 GDADMM CC(=O)CCCC(=O)NC1CC2(C1)CC(Nc1ccc(-c3nnn[n-]3)nn1)C2 ZINC001573375202 947818928 /nfs/dbraw/zinc/81/89/28/947818928.db2.gz MWDVZXZJZDQPOJ-UHFFFAOYSA-N -1 1 384.444 1.255 20 0 GDADMM CC(=O)CCCC(=O)NC1CC2(C1)CC(Nc1ccc(-c3nn[n-]n3)nn1)C2 ZINC001573375202 947818935 /nfs/dbraw/zinc/81/89/35/947818935.db2.gz MWDVZXZJZDQPOJ-UHFFFAOYSA-N -1 1 384.444 1.255 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@H](C)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001573375226 947819187 /nfs/dbraw/zinc/81/91/87/947819187.db2.gz RRTVHXQNQIBCFP-WFASDCNBSA-N -1 1 386.460 1.455 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@H](C)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001573375226 947819201 /nfs/dbraw/zinc/81/92/01/947819201.db2.gz RRTVHXQNQIBCFP-WFASDCNBSA-N -1 1 386.460 1.455 20 0 GDADMM C[C@H](C(=O)N1CCCO[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)C1CCC1 ZINC001573637669 947819548 /nfs/dbraw/zinc/81/95/48/947819548.db2.gz MSLVMJYOQPWLIS-GXTWGEPZSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H](C(=O)N1CCCO[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573637669 947819554 /nfs/dbraw/zinc/81/95/54/947819554.db2.gz MSLVMJYOQPWLIS-GXTWGEPZSA-N -1 1 386.460 1.122 20 0 GDADMM CC(=O)CCCC(=O)NC1CC(CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573375647 947824174 /nfs/dbraw/zinc/82/41/74/947824174.db2.gz PUPQOWDGFORYOL-UHFFFAOYSA-N -1 1 377.474 1.698 20 0 GDADMM Cc1onc(CC(=O)NCc2ccc(C)cc2O[C@H]2CCOC2)c1-c1nnn[n-]1 ZINC000826287826 947835179 /nfs/dbraw/zinc/83/51/79/947835179.db2.gz FPNCJDFDEFZZQQ-AWEZNQCLSA-N -1 1 398.423 1.498 20 0 GDADMM Cc1onc(CC(=O)NCc2ccc(C)cc2O[C@H]2CCOC2)c1-c1nn[n-]n1 ZINC000826287826 947835186 /nfs/dbraw/zinc/83/51/86/947835186.db2.gz FPNCJDFDEFZZQQ-AWEZNQCLSA-N -1 1 398.423 1.498 20 0 GDADMM CC(=O)CCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001573376783 947842525 /nfs/dbraw/zinc/84/25/25/947842525.db2.gz XROKJUDECDVGNF-AGUYFDCRSA-N -1 1 384.444 1.032 20 0 GDADMM CC(=O)CCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001573376783 947842533 /nfs/dbraw/zinc/84/25/33/947842533.db2.gz XROKJUDECDVGNF-AGUYFDCRSA-N -1 1 384.444 1.032 20 0 GDADMM CC(=O)CCCC(=O)NC[C@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573380538 947861124 /nfs/dbraw/zinc/86/11/24/947861124.db2.gz FBJFINVCSACZJR-CYBMUJFWSA-N -1 1 391.501 1.724 20 0 GDADMM CC(=O)CCCC(=O)N[C@H](C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573384413 947902107 /nfs/dbraw/zinc/90/21/07/947902107.db2.gz MKMFWOXMHCCETR-CYBMUJFWSA-N -1 1 386.460 1.137 20 0 GDADMM CC(=O)CCCC(=O)N[C@H](C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573384413 947902119 /nfs/dbraw/zinc/90/21/19/947902119.db2.gz MKMFWOXMHCCETR-CYBMUJFWSA-N -1 1 386.460 1.137 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](CNc2cncc(-c3nnn[n-]3)n2)[C@H](C)C1)C1CCCC1 ZINC001573647708 947902343 /nfs/dbraw/zinc/90/23/43/947902343.db2.gz SEUMGUSFHLTPCU-VNHYZAJKSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](CNc2cncc(-c3nn[n-]n3)n2)[C@H](C)C1)C1CCCC1 ZINC001573647708 947902351 /nfs/dbraw/zinc/90/23/51/947902351.db2.gz SEUMGUSFHLTPCU-VNHYZAJKSA-N -1 1 384.488 1.989 20 0 GDADMM CC(=O)CCCC(=O)N[C@H](C)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573384638 947906942 /nfs/dbraw/zinc/90/69/42/947906942.db2.gz URNWECJEKCHDFO-CYBMUJFWSA-N -1 1 386.460 1.137 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1)c1cccs1 ZINC001573651872 947924662 /nfs/dbraw/zinc/92/46/62/947924662.db2.gz QDPILRLLGCFXDA-WOPDTQHZSA-N -1 1 382.453 1.311 20 0 GDADMM C[C@@H](C(=O)N[C@](C)(CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1ccco1 ZINC001573652143 947931477 /nfs/dbraw/zinc/93/14/77/947931477.db2.gz BGOUNIGBCIZORP-ADLMAVQZSA-N -1 1 382.428 1.172 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)c1cccs1 ZINC001573652309 947935441 /nfs/dbraw/zinc/93/54/41/947935441.db2.gz CFBLNQWWUCKSMX-ZYHUDNBSSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)c1cccs1 ZINC001573652309 947935447 /nfs/dbraw/zinc/93/54/47/947935447.db2.gz CFBLNQWWUCKSMX-ZYHUDNBSSA-N -1 1 384.469 1.829 20 0 GDADMM Cc1csc(N2CCN(C(=O)Cc3noc(C)c3-c3nnn[n-]3)C[C@@H]2C)n1 ZINC000826321044 947939085 /nfs/dbraw/zinc/93/90/85/947939085.db2.gz OIGGSSCZKMLYNR-JTQLQIEISA-N -1 1 388.457 1.208 20 0 GDADMM Cc1csc(N2CCN(C(=O)Cc3noc(C)c3-c3nn[n-]n3)C[C@@H]2C)n1 ZINC000826321044 947939087 /nfs/dbraw/zinc/93/90/87/947939087.db2.gz OIGGSSCZKMLYNR-JTQLQIEISA-N -1 1 388.457 1.208 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C(C)(C)C)n1cccn1 ZINC001573653274 947955674 /nfs/dbraw/zinc/95/56/74/947955674.db2.gz KHRPXMOEXMXAGG-AAEUAGOBSA-N -1 1 384.448 1.057 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C(C)(C)C)n1cccn1 ZINC001573653274 947955677 /nfs/dbraw/zinc/95/56/77/947955677.db2.gz KHRPXMOEXMXAGG-AAEUAGOBSA-N -1 1 384.448 1.057 20 0 GDADMM C[C@@H](C(=O)N[C@@](C)(CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)n1cccc1 ZINC001573654296 947964927 /nfs/dbraw/zinc/96/49/27/947964927.db2.gz QRYSXCWYBFDURH-SGTLLEGYSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](C(=O)N[C@@](C)(CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)n1cccc1 ZINC001573654296 947964932 /nfs/dbraw/zinc/96/49/32/947964932.db2.gz QRYSXCWYBFDURH-SGTLLEGYSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1cccs1 ZINC001573654282 947965394 /nfs/dbraw/zinc/96/53/94/947965394.db2.gz QLTRYQOZMPGFDZ-CMPLNLGQSA-N -1 1 384.469 1.251 20 0 GDADMM Cc1nn(-c2ccccc2)c(C)c1CNC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000826331934 947965832 /nfs/dbraw/zinc/96/58/32/947965832.db2.gz DQZANBNDVBWYDT-UHFFFAOYSA-N -1 1 392.423 1.825 20 0 GDADMM Cc1nn(-c2ccccc2)c(C)c1CNC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000826331934 947965839 /nfs/dbraw/zinc/96/58/39/947965839.db2.gz DQZANBNDVBWYDT-UHFFFAOYSA-N -1 1 392.423 1.825 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)c1cccnc1 ZINC001573655361 947977889 /nfs/dbraw/zinc/97/78/89/947977889.db2.gz WYWDEBLSVIEZEK-NHYWBVRUSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)c1cccnc1 ZINC001573655361 947977894 /nfs/dbraw/zinc/97/78/94/947977894.db2.gz WYWDEBLSVIEZEK-NHYWBVRUSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@@H](C(=O)N[C@@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1)c1cccs1 ZINC001573658156 948008100 /nfs/dbraw/zinc/00/81/00/948008100.db2.gz QRTFWZFUBMMUCI-DIFFPNOSSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)N[C@@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1)c1cccs1 ZINC001573658156 948008107 /nfs/dbraw/zinc/00/81/07/948008107.db2.gz QRTFWZFUBMMUCI-DIFFPNOSSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)N[C@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cccs1 ZINC001573659125 948014141 /nfs/dbraw/zinc/01/41/41/948014141.db2.gz VOESUBBDHFJVSH-APPDUMDISA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)N[C@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573659125 948014150 /nfs/dbraw/zinc/01/41/50/948014150.db2.gz VOESUBBDHFJVSH-APPDUMDISA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)NC1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)c1ccco1 ZINC001573659469 948015894 /nfs/dbraw/zinc/01/58/94/948015894.db2.gz WFTUBRXUVHMJHV-GFCCVEGCSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](C(=O)N[C@]12CCC[C@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2)C1CCC1 ZINC001573661821 948021839 /nfs/dbraw/zinc/02/18/39/948021839.db2.gz AITQDUVOEQRPSM-HGQUKEQDSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H](C(=O)N[C@]12CCC[C@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2)C1CCC1 ZINC001573661821 948021847 /nfs/dbraw/zinc/02/18/47/948021847.db2.gz AITQDUVOEQRPSM-HGQUKEQDSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H](C(=O)N[C@@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2)C(C)(F)F ZINC001573662303 948026148 /nfs/dbraw/zinc/02/61/48/948026148.db2.gz BGTUYNCPZZGRGT-ILMHXZGMSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H](C(=O)N[C@@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2)C(C)(F)F ZINC001573662303 948026158 /nfs/dbraw/zinc/02/61/58/948026158.db2.gz BGTUYNCPZZGRGT-ILMHXZGMSA-N -1 1 392.414 1.566 20 0 GDADMM Cc1onc(CC(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)c1-c1nnn[n-]1 ZINC000826345822 948030777 /nfs/dbraw/zinc/03/07/77/948030777.db2.gz VFGFHNJKTLNWIN-LLVKDONJSA-N -1 1 378.396 1.769 20 0 GDADMM Cc1onc(CC(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)c1-c1nn[n-]n1 ZINC000826345822 948030785 /nfs/dbraw/zinc/03/07/85/948030785.db2.gz VFGFHNJKTLNWIN-LLVKDONJSA-N -1 1 378.396 1.769 20 0 GDADMM Cc1onc(CC(=O)NC[C@@H](O)c2ccc(OC(C)C)cc2)c1-c1nnn[n-]1 ZINC000826347514 948056326 /nfs/dbraw/zinc/05/63/26/948056326.db2.gz UDDBIRYQBPYULQ-OAHLLOKOSA-N -1 1 386.412 1.343 20 0 GDADMM Cc1onc(CC(=O)NC[C@@H](O)c2ccc(OC(C)C)cc2)c1-c1nn[n-]n1 ZINC000826347514 948056335 /nfs/dbraw/zinc/05/63/35/948056335.db2.gz UDDBIRYQBPYULQ-OAHLLOKOSA-N -1 1 386.412 1.343 20 0 GDADMM Cc1onc(CC(=O)NC[C@H](O)c2cccc(OC(C)C)c2)c1-c1nnn[n-]1 ZINC000826347538 948056828 /nfs/dbraw/zinc/05/68/28/948056828.db2.gz URTZAQWVLAHKQY-HNNXBMFYSA-N -1 1 386.412 1.343 20 0 GDADMM Cc1onc(CC(=O)NC[C@H](O)c2cccc(OC(C)C)c2)c1-c1nn[n-]n1 ZINC000826347538 948056832 /nfs/dbraw/zinc/05/68/32/948056832.db2.gz URTZAQWVLAHKQY-HNNXBMFYSA-N -1 1 386.412 1.343 20 0 GDADMM C[C@@H](C(=O)NC1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1)C(C)(F)F ZINC001573665825 948076454 /nfs/dbraw/zinc/07/64/54/948076454.db2.gz NMZHONFXHPAIPY-WHXUTIOJSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@@H](C(=O)NC1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1)C(C)(F)F ZINC001573665825 948076463 /nfs/dbraw/zinc/07/64/63/948076463.db2.gz NMZHONFXHPAIPY-WHXUTIOJSA-N -1 1 380.403 1.787 20 0 GDADMM Cc1onc(CC(=O)Nc2nnc(Cc3ccccc3)s2)c1-c1nnn[n-]1 ZINC000826349815 948096184 /nfs/dbraw/zinc/09/61/84/948096184.db2.gz VRZQIYCQNXDPEF-UHFFFAOYSA-N -1 1 382.409 1.787 20 0 GDADMM Cc1onc(CC(=O)Nc2nnc(Cc3ccccc3)s2)c1-c1nn[n-]n1 ZINC000826349815 948096194 /nfs/dbraw/zinc/09/61/94/948096194.db2.gz VRZQIYCQNXDPEF-UHFFFAOYSA-N -1 1 382.409 1.787 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1F ZINC001573670385 948101358 /nfs/dbraw/zinc/10/13/58/948101358.db2.gz BIWJMSHHJVOSDN-NEPJUHHUSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1F ZINC001573670387 948102248 /nfs/dbraw/zinc/10/22/48/948102248.db2.gz BIWJMSHHJVOSDN-RYUDHWBXSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1cccc(F)c1 ZINC001573672156 948110149 /nfs/dbraw/zinc/11/01/49/948110149.db2.gz HKCSPTYIUMNRFD-FZMZJTMJSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1cccc(F)c1 ZINC001573672156 948110156 /nfs/dbraw/zinc/11/01/56/948110156.db2.gz HKCSPTYIUMNRFD-FZMZJTMJSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C)C1CCC1 ZINC001573676759 948129474 /nfs/dbraw/zinc/12/94/74/948129474.db2.gz VJKWAQAHGBOLBE-IUODEOHRSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C)C1CCC1 ZINC001573676759 948129479 /nfs/dbraw/zinc/12/94/79/948129479.db2.gz VJKWAQAHGBOLBE-IUODEOHRSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC1(C)C)C(C)(F)F ZINC001573677815 948142284 /nfs/dbraw/zinc/14/22/84/948142284.db2.gz FKGQKNDNBBPUSL-VHSXEESVSA-N -1 1 380.403 1.279 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC1(C)C)C(C)(F)F ZINC001573677815 948142290 /nfs/dbraw/zinc/14/22/90/948142290.db2.gz FKGQKNDNBBPUSL-VHSXEESVSA-N -1 1 380.403 1.279 20 0 GDADMM CC(C)[C@H](CNC(=O)[C@@H](C)c1cccnc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573679441 948161765 /nfs/dbraw/zinc/16/17/65/948161765.db2.gz IVXLSMINDQZGQB-WFASDCNBSA-N -1 1 381.444 1.408 20 0 GDADMM CC(C)[C@H](CNC(=O)[C@@H](C)c1cccnc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573679441 948161768 /nfs/dbraw/zinc/16/17/68/948161768.db2.gz IVXLSMINDQZGQB-WFASDCNBSA-N -1 1 381.444 1.408 20 0 GDADMM C[C@@H](C(=O)NC[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1)c1ccsc1 ZINC001573680322 948177440 /nfs/dbraw/zinc/17/74/40/948177440.db2.gz MZAZJNSHGDGRRO-MFKMUULPSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)NC[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1)c1ccsc1 ZINC001573680322 948177446 /nfs/dbraw/zinc/17/74/46/948177446.db2.gz MZAZJNSHGDGRRO-MFKMUULPSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NC[C@]1(C)CN(c2cncc(-c3nnn[n-]3)n2)CCO1)C(C)(C)C ZINC001573691899 948249806 /nfs/dbraw/zinc/24/98/06/948249806.db2.gz KWWSDCJUVXPNRB-KZULUSFZSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@H](C(=O)NC[C@]1(C)CN(c2cncc(-c3nn[n-]n3)n2)CCO1)C(C)(C)C ZINC001573691899 948249814 /nfs/dbraw/zinc/24/98/14/948249814.db2.gz KWWSDCJUVXPNRB-KZULUSFZSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCCC1)c1ccco1 ZINC001573692323 948260729 /nfs/dbraw/zinc/26/07/29/948260729.db2.gz ODJLZUMLUCNQEN-LBPRGKRZSA-N -1 1 382.428 1.316 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(C)(F)F ZINC001573701517 948338431 /nfs/dbraw/zinc/33/84/31/948338431.db2.gz AOWBJFRGKQLNHN-GHMZBOCLSA-N -1 1 380.403 1.281 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(C)(F)F ZINC001573701517 948338439 /nfs/dbraw/zinc/33/84/39/948338439.db2.gz AOWBJFRGKQLNHN-GHMZBOCLSA-N -1 1 380.403 1.281 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccco1 ZINC001573702273 948344762 /nfs/dbraw/zinc/34/47/62/948344762.db2.gz CZTJFVGEBFJDAS-QWHCGFSZSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001573702273 948344767 /nfs/dbraw/zinc/34/47/67/948344767.db2.gz CZTJFVGEBFJDAS-QWHCGFSZSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)c1ccsc1 ZINC001573703893 948362703 /nfs/dbraw/zinc/36/27/03/948362703.db2.gz NOKLVPPVJBCSOC-AAEUAGOBSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)c1ccsc1 ZINC001573703893 948362712 /nfs/dbraw/zinc/36/27/12/948362712.db2.gz NOKLVPPVJBCSOC-AAEUAGOBSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)NCC=CCNc1cncc(-c2nnn[n-]2)n1)c1cccc(F)c1 ZINC001573705112 948392145 /nfs/dbraw/zinc/39/21/45/948392145.db2.gz CUIYPXPJURJUNW-ZZKXABKFSA-N -1 1 382.403 1.684 20 0 GDADMM C[C@@H](C(=O)NCC=CCNc1cncc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001573705112 948392152 /nfs/dbraw/zinc/39/21/52/948392152.db2.gz CUIYPXPJURJUNW-ZZKXABKFSA-N -1 1 382.403 1.684 20 0 GDADMM C[C@H](C(=O)NCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C1CCCC1 ZINC001573705587 948404276 /nfs/dbraw/zinc/40/42/76/948404276.db2.gz INMDSWVMTDHYOP-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C1CCCC1 ZINC001573705587 948404279 /nfs/dbraw/zinc/40/42/79/948404279.db2.gz INMDSWVMTDHYOP-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCCN1c1nccnc1-c1nnn[n-]1)C(C)(F)F ZINC001573705699 948406699 /nfs/dbraw/zinc/40/66/99/948406699.db2.gz XPUNRJGODAEFAB-MNOVXSKESA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCCN1c1nccnc1-c1nn[n-]n1)C(C)(F)F ZINC001573705699 948406702 /nfs/dbraw/zinc/40/67/02/948406702.db2.gz XPUNRJGODAEFAB-MNOVXSKESA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccsc1 ZINC001573706556 948421357 /nfs/dbraw/zinc/42/13/57/948421357.db2.gz LRVLDWCUFBWATM-RYUDHWBXSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccsc1 ZINC001573706556 948421362 /nfs/dbraw/zinc/42/13/62/948421362.db2.gz LRVLDWCUFBWATM-RYUDHWBXSA-N -1 1 384.469 1.464 20 0 GDADMM CC(C(=O)NC[C@H]1COCCN1c1snc(C)c1-c1nn[n-]n1)=C1CCC1 ZINC001573706784 948424248 /nfs/dbraw/zinc/42/42/48/948424248.db2.gz LEWZCHRAKTYFOU-ZDUSSCGKSA-N -1 1 389.485 1.453 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCC1(F)F)C1CC1 ZINC001573707172 948430540 /nfs/dbraw/zinc/43/05/40/948430540.db2.gz MUYDFROKSJXYPB-JQWIXIFHSA-N -1 1 392.414 1.281 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCC1(F)F)C1CC1 ZINC001573707172 948430543 /nfs/dbraw/zinc/43/05/43/948430543.db2.gz MUYDFROKSJXYPB-JQWIXIFHSA-N -1 1 392.414 1.281 20 0 GDADMM C[C@H](C(=O)NCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)c1ccco1 ZINC001573707888 948439814 /nfs/dbraw/zinc/43/98/14/948439814.db2.gz QYZIHUWLWKALRV-LBPRGKRZSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@H](C(=O)NCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)c1ccco1 ZINC001573707888 948439823 /nfs/dbraw/zinc/43/98/23/948439823.db2.gz QYZIHUWLWKALRV-LBPRGKRZSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@H](C(=O)NCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C1CCCC1 ZINC001573708390 948450032 /nfs/dbraw/zinc/45/00/32/948450032.db2.gz USODXXPXVAHKJX-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C1CCCC1 ZINC001573708390 948450035 /nfs/dbraw/zinc/45/00/35/948450035.db2.gz USODXXPXVAHKJX-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NCC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)C1CCCC1 ZINC001573714924 948479218 /nfs/dbraw/zinc/47/92/18/948479218.db2.gz LJYKNKDNPSDXEN-UONOGXRCSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NCC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573714924 948479224 /nfs/dbraw/zinc/47/92/24/948479224.db2.gz LJYKNKDNPSDXEN-UONOGXRCSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NCC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573714984 948480481 /nfs/dbraw/zinc/48/04/81/948480481.db2.gz MLDXWGZBXSRVQZ-ZIAGYGMSSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NCC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001573715013 948480617 /nfs/dbraw/zinc/48/06/17/948480617.db2.gz MSSYKAFJIGJJSW-VHSXEESVSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@H](C(=O)NCC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573715013 948480623 /nfs/dbraw/zinc/48/06/23/948480623.db2.gz MSSYKAFJIGJJSW-VHSXEESVSA-N -1 1 384.366 1.188 20 0 GDADMM CC(C)[C@@H](CCNC(=O)[C@H](C)c1ccco1)Nc1nccnc1-c1nnn[n-]1 ZINC001573717858 948512694 /nfs/dbraw/zinc/51/26/94/948512694.db2.gz NUJBFOFMDLBHSX-CHWSQXEVSA-N -1 1 384.444 1.996 20 0 GDADMM CC(C)[C@@H](CCNC(=O)[C@H](C)c1ccco1)Nc1nccnc1-c1nn[n-]n1 ZINC001573717858 948512701 /nfs/dbraw/zinc/51/27/01/948512701.db2.gz NUJBFOFMDLBHSX-CHWSQXEVSA-N -1 1 384.444 1.996 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1snc(Cl)c1-c1nnn[n-]1)[C@H]1CCCO1 ZINC001573718091 948514268 /nfs/dbraw/zinc/51/42/68/948514268.db2.gz HQFCFMDYPDBTOW-RKDXNWHRSA-N -1 1 385.881 1.344 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1snc(Cl)c1-c1nn[n-]n1)[C@H]1CCCO1 ZINC001573718091 948514275 /nfs/dbraw/zinc/51/42/75/948514275.db2.gz HQFCFMDYPDBTOW-RKDXNWHRSA-N -1 1 385.881 1.344 20 0 GDADMM CC(C)[C@@H](CCNC(=O)[C@@H](C)c1ccco1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573720024 948530915 /nfs/dbraw/zinc/53/09/15/948530915.db2.gz ZWBIZNMTDXAVRZ-QWHCGFSZSA-N -1 1 384.444 1.996 20 0 GDADMM CC(C)[C@@H](CCNC(=O)[C@@H](C)c1ccco1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573720024 948530921 /nfs/dbraw/zinc/53/09/21/948530921.db2.gz ZWBIZNMTDXAVRZ-QWHCGFSZSA-N -1 1 384.444 1.996 20 0 GDADMM C[C@H](C(=O)NCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1)c1cccs1 ZINC001573720986 948536508 /nfs/dbraw/zinc/53/65/08/948536508.db2.gz UGLAEJKOTZIFII-NSHDSACASA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1)c1cccs1 ZINC001573720986 948536512 /nfs/dbraw/zinc/53/65/12/948536512.db2.gz UGLAEJKOTZIFII-NSHDSACASA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cccs1 ZINC001573725539 948543592 /nfs/dbraw/zinc/54/35/92/948543592.db2.gz AMJDJZMTMSVCKC-SDDRHHMPSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cccs1 ZINC001573725539 948543599 /nfs/dbraw/zinc/54/35/99/948543599.db2.gz AMJDJZMTMSVCKC-SDDRHHMPSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cccs1 ZINC001573726820 948551573 /nfs/dbraw/zinc/55/15/73/948551573.db2.gz KVLPKLKYFCJFMW-UTUOFQBUSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cccs1 ZINC001573726820 948551579 /nfs/dbraw/zinc/55/15/79/948551579.db2.gz KVLPKLKYFCJFMW-UTUOFQBUSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cccs1 ZINC001573729738 948571954 /nfs/dbraw/zinc/57/19/54/948571954.db2.gz JYWSOQFNHLQVTK-SRVKXCTJSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573729738 948571957 /nfs/dbraw/zinc/57/19/57/948571957.db2.gz JYWSOQFNHLQVTK-SRVKXCTJSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)NCc1ccccc1CN(C)c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573730929 948585961 /nfs/dbraw/zinc/58/59/61/948585961.db2.gz SPMHRXOJUYUSNU-CYBMUJFWSA-N -1 1 392.467 1.955 20 0 GDADMM C[C@@H](C(=O)NCc1ccccc1CN(C)c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573730929 948585964 /nfs/dbraw/zinc/58/59/64/948585964.db2.gz SPMHRXOJUYUSNU-CYBMUJFWSA-N -1 1 392.467 1.955 20 0 GDADMM C[C@H](C(=O)NCc1ccc2c(c1)CN(c1ccnc(-c3nn[n-]n3)n1)C2)C1CC1 ZINC001573731799 948596835 /nfs/dbraw/zinc/59/68/35/948596835.db2.gz ZEINRHDOSRQYOH-LBPRGKRZSA-N -1 1 390.451 1.839 20 0 GDADMM CC(C(=O)N[C@@H](C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)=C1CCC1 ZINC001573732815 948609234 /nfs/dbraw/zinc/60/92/34/948609234.db2.gz YOQWBQLOXLYVBZ-ZDUSSCGKSA-N -1 1 382.472 1.878 20 0 GDADMM CC(C(=O)N[C@@H](C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)=C1CCC1 ZINC001573732815 948609240 /nfs/dbraw/zinc/60/92/40/948609240.db2.gz YOQWBQLOXLYVBZ-ZDUSSCGKSA-N -1 1 382.472 1.878 20 0 GDADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)C1CCCC1 ZINC001573739624 948620931 /nfs/dbraw/zinc/62/09/31/948620931.db2.gz FUGYEFDABULYMV-DCDXPUDHSA-N -1 1 382.472 1.709 20 0 GDADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573739624 948620933 /nfs/dbraw/zinc/62/09/33/948620933.db2.gz FUGYEFDABULYMV-DCDXPUDHSA-N -1 1 382.472 1.709 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1cccs1 ZINC001573740203 948629110 /nfs/dbraw/zinc/62/91/10/948629110.db2.gz KWZUNMDWGLOTNE-IJLUTSLNSA-N -1 1 384.469 1.463 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1cccs1 ZINC001573740203 948629114 /nfs/dbraw/zinc/62/91/14/948629114.db2.gz KWZUNMDWGLOTNE-IJLUTSLNSA-N -1 1 384.469 1.463 20 0 GDADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1)c1ccco1 ZINC001573741007 948647429 /nfs/dbraw/zinc/64/74/29/948647429.db2.gz WRLXFRDDQMKTOH-LOWDOPEQSA-N -1 1 380.412 1.279 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573746470 948682044 /nfs/dbraw/zinc/68/20/44/948682044.db2.gz KCDVYBGVNWJFFV-IJLUTSLNSA-N -1 1 384.469 1.251 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2nccnc2-c2nnn[n-]2)CC1)c1ccco1 ZINC001573748063 948693968 /nfs/dbraw/zinc/69/39/68/948693968.db2.gz ZWULIEHKTYDVLX-AVGNSLFASA-N -1 1 382.428 1.893 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2nccnc2-c2nn[n-]n2)CC1)c1ccco1 ZINC001573748063 948693972 /nfs/dbraw/zinc/69/39/72/948693972.db2.gz ZWULIEHKTYDVLX-AVGNSLFASA-N -1 1 382.428 1.893 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1ccsc1 ZINC001573748974 948699323 /nfs/dbraw/zinc/69/93/23/948699323.db2.gz XUKYSOSYBSCHNR-NQBHXWOUSA-N -1 1 384.469 1.251 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)[C@@H](C)C(C)(C)C ZINC001573752507 948714679 /nfs/dbraw/zinc/71/46/79/948714679.db2.gz NOYFNQFHTNSDNE-NTASLKFISA-N -1 1 384.488 1.526 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)c1ccco1 ZINC001573753371 948717531 /nfs/dbraw/zinc/71/75/31/948717531.db2.gz SLGSFMSOUHEXLT-OPDFLTKYSA-N -1 1 380.412 1.279 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)c1ccco1 ZINC001573753371 948717536 /nfs/dbraw/zinc/71/75/36/948717536.db2.gz SLGSFMSOUHEXLT-OPDFLTKYSA-N -1 1 380.412 1.279 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1coc(C(F)F)c1 ZINC001574678401 948749124 /nfs/dbraw/zinc/74/91/24/948749124.db2.gz FKQCQRLZEFELHL-QMMMGPOBSA-N -1 1 378.343 1.808 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1coc(C(F)F)c1 ZINC001574678401 948749129 /nfs/dbraw/zinc/74/91/29/948749129.db2.gz FKQCQRLZEFELHL-QMMMGPOBSA-N -1 1 378.343 1.808 20 0 GDADMM CC(F)(F)C1(C(=O)NC2CC(CNc3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001575223360 948764642 /nfs/dbraw/zinc/76/46/42/948764642.db2.gz OERYIXPODFDJTR-UHFFFAOYSA-N -1 1 378.387 1.399 20 0 GDADMM CC(F)(F)C1(C(=O)NC2CC(CNc3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001575223360 948764651 /nfs/dbraw/zinc/76/46/51/948764651.db2.gz OERYIXPODFDJTR-UHFFFAOYSA-N -1 1 378.387 1.399 20 0 GDADMM C[C@H](CNC(=O)CCc1ccccc1F)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574915480 948767435 /nfs/dbraw/zinc/76/74/35/948767435.db2.gz VGSXYLLXTPXRBG-LBPRGKRZSA-N -1 1 384.419 1.015 20 0 GDADMM CC(F)(F)CC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2 ZINC001575223902 948775585 /nfs/dbraw/zinc/77/55/85/948775585.db2.gz IKZDJAMDCBLIGG-MNOVXSKESA-N -1 1 378.387 1.541 20 0 GDADMM CC(F)(F)CC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2 ZINC001575223902 948775588 /nfs/dbraw/zinc/77/55/88/948775588.db2.gz IKZDJAMDCBLIGG-MNOVXSKESA-N -1 1 378.387 1.541 20 0 GDADMM C[C@H](C(=O)Nc1cnn([C@H](C)c2ccccc2)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001573755676 948777764 /nfs/dbraw/zinc/77/77/64/948777764.db2.gz SDIMYDRIGCHXDO-VXGBXAGGSA-N -1 1 378.400 1.464 20 0 GDADMM CC(C)c1cccc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)n1 ZINC001574418576 948780989 /nfs/dbraw/zinc/78/09/89/948780989.db2.gz YOBWKOUSMFIRIJ-UHFFFAOYSA-N -1 1 379.428 1.138 20 0 GDADMM CC(C)c1cccc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)n1 ZINC001574418576 948780993 /nfs/dbraw/zinc/78/09/93/948780993.db2.gz YOBWKOUSMFIRIJ-UHFFFAOYSA-N -1 1 379.428 1.138 20 0 GDADMM CC(C)[C@H](F)C(=O)N[C@H](C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574080287 948785986 /nfs/dbraw/zinc/78/59/86/948785986.db2.gz ODTRGSJWARXEHI-ABAIWWIYSA-N -1 1 376.440 1.372 20 0 GDADMM CC(C)[C@H](F)C(=O)N[C@H](C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574080287 948786001 /nfs/dbraw/zinc/78/60/01/948786001.db2.gz ODTRGSJWARXEHI-ABAIWWIYSA-N -1 1 376.440 1.372 20 0 GDADMM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC001573755851 948785907 /nfs/dbraw/zinc/78/59/07/948785907.db2.gz UAMRKBUBKUSFCR-LOWVWBTDSA-N -1 1 388.497 1.855 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1noc2c1CCCC2 ZINC001574679897 948792318 /nfs/dbraw/zinc/79/23/18/948792318.db2.gz AZWOBHZQOYFPMY-SNVBAGLBSA-N -1 1 383.416 1.144 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1noc2c1CCCC2 ZINC001574679897 948792327 /nfs/dbraw/zinc/79/23/27/948792327.db2.gz AZWOBHZQOYFPMY-SNVBAGLBSA-N -1 1 383.416 1.144 20 0 GDADMM C[C@H](C(=O)N[C@]12CCC[C@H]1CN(c1ccnc(-c3nn[n-]n3)n1)C2)C(C)(F)F ZINC001573756183 948801854 /nfs/dbraw/zinc/80/18/54/948801854.db2.gz NEUXNKCQMOKUFC-RLFDGXBXSA-N -1 1 392.414 1.423 20 0 GDADMM CC(C)c1ccoc1C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001574421066 948808996 /nfs/dbraw/zinc/80/89/96/948808996.db2.gz FROOGPVAWTVAGB-LBPRGKRZSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1ccoc1C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001574421066 948809013 /nfs/dbraw/zinc/80/90/13/948809013.db2.gz FROOGPVAWTVAGB-LBPRGKRZSA-N -1 1 382.428 1.772 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cc(C(F)F)ncn1 ZINC001574680937 948812817 /nfs/dbraw/zinc/81/28/17/948812817.db2.gz KJVZWRBRCNTXHB-MRVPVSSYSA-N -1 1 390.358 1.005 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001575226181 948812915 /nfs/dbraw/zinc/81/29/15/948812915.db2.gz JAYURMFUIKXCDB-FOGDFJRCSA-N -1 1 390.398 1.318 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001575226181 948812937 /nfs/dbraw/zinc/81/29/37/948812937.db2.gz JAYURMFUIKXCDB-FOGDFJRCSA-N -1 1 390.398 1.318 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cc(C(F)F)ncn1 ZINC001574680937 948812843 /nfs/dbraw/zinc/81/28/43/948812843.db2.gz KJVZWRBRCNTXHB-MRVPVSSYSA-N -1 1 390.358 1.005 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1c(F)cc(F)cc1F ZINC001574680952 948813170 /nfs/dbraw/zinc/81/31/70/948813170.db2.gz KPRYHRPMVJFCQH-MRVPVSSYSA-N -1 1 392.345 1.695 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1c(F)cc(F)cc1F ZINC001574680952 948813189 /nfs/dbraw/zinc/81/31/89/948813189.db2.gz KPRYHRPMVJFCQH-MRVPVSSYSA-N -1 1 392.345 1.695 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001574681862 948824692 /nfs/dbraw/zinc/82/46/92/948824692.db2.gz OJYMOZDGPQKUAU-CFVMTHIKSA-N -1 1 378.440 1.767 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001574681862 948824713 /nfs/dbraw/zinc/82/47/13/948824713.db2.gz OJYMOZDGPQKUAU-CFVMTHIKSA-N -1 1 378.440 1.767 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)c1cccs1 ZINC001573756857 948825019 /nfs/dbraw/zinc/82/50/19/948825019.db2.gz UQCIFULJURHMAF-OZWUEAAUSA-N -1 1 382.453 1.073 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)c1cccs1 ZINC001573756857 948825035 /nfs/dbraw/zinc/82/50/35/948825035.db2.gz UQCIFULJURHMAF-OZWUEAAUSA-N -1 1 382.453 1.073 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCc1ccccc1F ZINC001574682794 948831804 /nfs/dbraw/zinc/83/18/04/948831804.db2.gz RGUKDXCJYCJSJN-GFCCVEGCSA-N -1 1 384.419 1.735 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCc1ccccc1F ZINC001574682794 948831824 /nfs/dbraw/zinc/83/18/24/948831824.db2.gz RGUKDXCJYCJSJN-GFCCVEGCSA-N -1 1 384.419 1.735 20 0 GDADMM CC(C)[C@@H](F)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001574081761 948841210 /nfs/dbraw/zinc/84/12/10/948841210.db2.gz WLCQCMNKZLKYBB-OQMKEHIESA-N -1 1 388.451 1.514 20 0 GDADMM CC(C)[C@@H](F)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001574081761 948841226 /nfs/dbraw/zinc/84/12/26/948841226.db2.gz WLCQCMNKZLKYBB-OQMKEHIESA-N -1 1 388.451 1.514 20 0 GDADMM CC(C)c1ccsc1C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001574424163 948844335 /nfs/dbraw/zinc/84/43/35/948844335.db2.gz GZHTTZCVXYPAIC-LLVKDONJSA-N -1 1 384.469 1.850 20 0 GDADMM CC(C)c1ccsc1C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001574424163 948844350 /nfs/dbraw/zinc/84/43/50/948844350.db2.gz GZHTTZCVXYPAIC-LLVKDONJSA-N -1 1 384.469 1.850 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1)C(F)F ZINC001573762356 948856020 /nfs/dbraw/zinc/85/60/20/948856020.db2.gz ULZCZJJOQHHYJX-AOOOYVTPSA-N -1 1 378.387 1.128 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1)C(F)F ZINC001573762356 948856039 /nfs/dbraw/zinc/85/60/39/948856039.db2.gz ULZCZJJOQHHYJX-AOOOYVTPSA-N -1 1 378.387 1.128 20 0 GDADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)Cn1ccnc1 ZINC001574684105 948860225 /nfs/dbraw/zinc/86/02/25/948860225.db2.gz BWXUHPNHAQOYBQ-QMMMGPOBSA-N -1 1 381.853 1.180 20 0 GDADMM CC(C)c1nc(C(=O)N[C@@H](C)[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)cs1 ZINC001574424605 948860526 /nfs/dbraw/zinc/86/05/26/948860526.db2.gz RHYOPLZIQWGWEM-UWVGGRQHSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1nc(C(=O)N[C@@H](C)[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)cs1 ZINC001574424605 948860544 /nfs/dbraw/zinc/86/05/44/948860544.db2.gz RHYOPLZIQWGWEM-UWVGGRQHSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)(C(=O)N1CC[C@H]2[C@@H](CCN2c2cncc(-c3nnn[n-]3)n2)C1)C(F)F ZINC001573763090 948863827 /nfs/dbraw/zinc/86/38/27/948863827.db2.gz AMTGRJMQBYNATJ-JQWIXIFHSA-N -1 1 392.414 1.375 20 0 GDADMM CC(C)(C(=O)N1CC[C@H]2[C@@H](CCN2c2cncc(-c3nn[n-]n3)n2)C1)C(F)F ZINC001573763090 948863835 /nfs/dbraw/zinc/86/38/35/948863835.db2.gz AMTGRJMQBYNATJ-JQWIXIFHSA-N -1 1 392.414 1.375 20 0 GDADMM CC(C)c1nc(C(=O)N(C)[C@H](C)CNc2nccnc2-c2nnn[n-]2)cs1 ZINC001574424943 948867953 /nfs/dbraw/zinc/86/79/53/948867953.db2.gz XWOXAEWJYHZYJF-SNVBAGLBSA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)c1nc(C(=O)N(C)[C@H](C)CNc2nccnc2-c2nn[n-]n2)cs1 ZINC001574424943 948867973 /nfs/dbraw/zinc/86/79/73/948867973.db2.gz XWOXAEWJYHZYJF-SNVBAGLBSA-N -1 1 387.473 1.809 20 0 GDADMM CC(F)(F)CCC(=O)N[C@](C)(CNc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001575234368 948898982 /nfs/dbraw/zinc/89/89/82/948898982.db2.gz BIFKVNVJSVEMEM-OAHLLOKOSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CCC(=O)N[C@](C)(CNc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001575234368 948898994 /nfs/dbraw/zinc/89/89/94/948898994.db2.gz BIFKVNVJSVEMEM-OAHLLOKOSA-N -1 1 380.403 1.789 20 0 GDADMM CC(C)c1ncc(C(=O)N(C)[C@@H](C)CNc2ccnc(-c3nn[n-]n3)n2)s1 ZINC001574427497 948904634 /nfs/dbraw/zinc/90/46/34/948904634.db2.gz GEWIDJFZUJQYOZ-JTQLQIEISA-N -1 1 387.473 1.231 20 0 GDADMM CC(C)c1ncc(C(=O)N(C)[C@@H](C)CNc2cnc(-c3nnn[n-]3)cn2)s1 ZINC001574427568 948908077 /nfs/dbraw/zinc/90/80/77/948908077.db2.gz HLMFCRDIRGIMMU-JTQLQIEISA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)c1ncc(C(=O)N(C)[C@@H](C)CNc2cnc(-c3nn[n-]n3)cn2)s1 ZINC001574427568 948908095 /nfs/dbraw/zinc/90/80/95/948908095.db2.gz HLMFCRDIRGIMMU-JTQLQIEISA-N -1 1 387.473 1.809 20 0 GDADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)C[C@@H]1CCCO1 ZINC001574685658 948915054 /nfs/dbraw/zinc/91/50/54/948915054.db2.gz YOMOGAWZUDFUNB-BDAKNGLRSA-N -1 1 385.881 1.852 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)s1 ZINC001574428083 948923608 /nfs/dbraw/zinc/92/36/08/948923608.db2.gz ZQBJECQIAWJOHZ-MGCOHNPYSA-N -1 1 385.457 1.031 20 0 GDADMM CC(C)(C(=O)N[C@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2)C1CC1 ZINC001573771070 948932152 /nfs/dbraw/zinc/93/21/52/948932152.db2.gz AUNGBGQHHCVCMM-AWEZNQCLSA-N -1 1 382.472 1.568 20 0 GDADMM CC(C)(C(=O)N[C@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2)C1CC1 ZINC001573771070 948932163 /nfs/dbraw/zinc/93/21/63/948932163.db2.gz AUNGBGQHHCVCMM-AWEZNQCLSA-N -1 1 382.472 1.568 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1)C1CC1 ZINC001573766064 948932698 /nfs/dbraw/zinc/93/26/98/948932698.db2.gz XEHWCOQJOOEFFF-OLZOCXBDSA-N -1 1 382.472 1.378 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1)C1CC1 ZINC001573766064 948932711 /nfs/dbraw/zinc/93/27/11/948932711.db2.gz XEHWCOQJOOEFFF-OLZOCXBDSA-N -1 1 382.472 1.378 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC[C@H]2[C@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001575236092 948934092 /nfs/dbraw/zinc/93/40/92/948934092.db2.gz VKZXTCXAZBFVDY-QWHCGFSZSA-N -1 1 392.414 1.662 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC[C@H]2[C@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001575236092 948934108 /nfs/dbraw/zinc/93/41/08/948934108.db2.gz VKZXTCXAZBFVDY-QWHCGFSZSA-N -1 1 392.414 1.662 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1)C(F)F ZINC001573771089 948935121 /nfs/dbraw/zinc/93/51/21/948935121.db2.gz BNZZZENSKYBTGO-UWVGGRQHSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1)C(F)F ZINC001573771089 948935137 /nfs/dbraw/zinc/93/51/37/948935137.db2.gz BNZZZENSKYBTGO-UWVGGRQHSA-N -1 1 380.403 1.645 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575237317 948944655 /nfs/dbraw/zinc/94/46/55/948944655.db2.gz DVVNGKBIOULJPV-GHMZBOCLSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575237317 948944666 /nfs/dbraw/zinc/94/46/66/948944666.db2.gz DVVNGKBIOULJPV-GHMZBOCLSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001575237495 948947887 /nfs/dbraw/zinc/94/78/87/948947887.db2.gz GOGVBQBXAOAFPS-SRVKXCTJSA-N -1 1 392.414 1.566 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001575237495 948947896 /nfs/dbraw/zinc/94/78/96/948947896.db2.gz GOGVBQBXAOAFPS-SRVKXCTJSA-N -1 1 392.414 1.566 20 0 GDADMM CC(C)(C(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)C(F)(F)F ZINC001573772573 948962347 /nfs/dbraw/zinc/96/23/47/948962347.db2.gz VGOADVQGUFPQQT-SECBINFHSA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)(C(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)C(F)(F)F ZINC001573772573 948962362 /nfs/dbraw/zinc/96/23/62/948962362.db2.gz VGOADVQGUFPQQT-SECBINFHSA-N -1 1 384.366 1.552 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575239824 948965134 /nfs/dbraw/zinc/96/51/34/948965134.db2.gz VNXVQUUNPFOYPN-WDEREUQCSA-N -1 1 380.403 1.931 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575239824 948965141 /nfs/dbraw/zinc/96/51/41/948965141.db2.gz VNXVQUUNPFOYPN-WDEREUQCSA-N -1 1 380.403 1.931 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573772890 948970767 /nfs/dbraw/zinc/97/07/67/948970767.db2.gz XWWCRLFZXSSDLQ-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1Cc2ccc(F)cc21 ZINC001574688844 948972990 /nfs/dbraw/zinc/97/29/90/948972990.db2.gz AHAISBMGPNIEOS-YGRLFVJLSA-N -1 1 382.403 1.442 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1Cc2ccc(F)cc21 ZINC001574688844 948972999 /nfs/dbraw/zinc/97/29/99/948972999.db2.gz AHAISBMGPNIEOS-YGRLFVJLSA-N -1 1 382.403 1.442 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H](C)c1cccc(F)c1 ZINC001574689361 948982694 /nfs/dbraw/zinc/98/26/94/948982694.db2.gz GNSUMTHUFWFAAI-RYUDHWBXSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H](C)c1cccc(F)c1 ZINC001574689361 948982708 /nfs/dbraw/zinc/98/27/08/948982708.db2.gz GNSUMTHUFWFAAI-RYUDHWBXSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CCc2ccccc2C1 ZINC001574689544 948988718 /nfs/dbraw/zinc/98/87/18/948988718.db2.gz IEQZDCOUYJXNSW-XJKSGUPXSA-N -1 1 392.467 1.769 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CCc2ccccc2C1 ZINC001574689544 948988733 /nfs/dbraw/zinc/98/87/33/948988733.db2.gz IEQZDCOUYJXNSW-XJKSGUPXSA-N -1 1 392.467 1.769 20 0 GDADMM CC(C)c1nnsc1C(=O)NCC[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574439792 949012241 /nfs/dbraw/zinc/01/22/41/949012241.db2.gz IPBQXAIOCBBYSP-VIFPVBQESA-N -1 1 388.461 1.252 20 0 GDADMM CC(C)c1nnsc1C(=O)NCC[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574439792 949012257 /nfs/dbraw/zinc/01/22/57/949012257.db2.gz IPBQXAIOCBBYSP-VIFPVBQESA-N -1 1 388.461 1.252 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CCc2cccnc21 ZINC001574691044 949013621 /nfs/dbraw/zinc/01/36/21/949013621.db2.gz SKLXEKOVSWDHGU-WCQYABFASA-N -1 1 379.428 1.088 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CCc2cccnc21 ZINC001574691044 949013640 /nfs/dbraw/zinc/01/36/40/949013640.db2.gz SKLXEKOVSWDHGU-WCQYABFASA-N -1 1 379.428 1.088 20 0 GDADMM C[C@H](CN(C)C(=O)C(C)(C)[C@@H]1CCCCO1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574692718 949037372 /nfs/dbraw/zinc/03/73/72/949037372.db2.gz AXVAPPFFTBFNNF-OCCSQVGLSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CN(C)C(=O)C(C)(C)[C@@H]1CCCCO1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574692718 949037389 /nfs/dbraw/zinc/03/73/89/949037389.db2.gz AXVAPPFFTBFNNF-OCCSQVGLSA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)N1CCC(CCNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574091915 949038618 /nfs/dbraw/zinc/03/86/18/949038618.db2.gz MUHGUJOIWIYIDT-CABCVRRESA-N -1 1 384.488 1.411 20 0 GDADMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000364006490 971539370 /nfs/dbraw/zinc/53/93/70/971539370.db2.gz USOMKKDWGVCQKT-UHFFFAOYSA-N -1 1 388.405 1.990 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001573779649 949067886 /nfs/dbraw/zinc/06/78/86/949067886.db2.gz LGLDQZSTIXBKGZ-HNNXBMFYSA-N -1 1 392.467 1.720 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001573779649 949067905 /nfs/dbraw/zinc/06/79/05/949067905.db2.gz LGLDQZSTIXBKGZ-HNNXBMFYSA-N -1 1 392.467 1.720 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)c1ccncc1 ZINC001574694113 949068604 /nfs/dbraw/zinc/06/86/04/949068604.db2.gz LDQSKBALMROPOG-QMMMGPOBSA-N -1 1 378.849 1.992 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)c1ccncc1 ZINC001574694113 949068619 /nfs/dbraw/zinc/06/86/19/949068619.db2.gz LDQSKBALMROPOG-QMMMGPOBSA-N -1 1 378.849 1.992 20 0 GDADMM CC(C)c1occc1C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574441686 949072878 /nfs/dbraw/zinc/07/28/78/949072878.db2.gz SDZILZRLUQSJJG-LBPRGKRZSA-N -1 1 382.428 1.369 20 0 GDADMM CC(C)(C(=O)NCCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1)C(F)F ZINC001573781116 949098318 /nfs/dbraw/zinc/09/83/18/949098318.db2.gz CHUKQQXFFSDOIZ-UHFFFAOYSA-N -1 1 380.403 1.423 20 0 GDADMM CC(C)(C(=O)NCCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1)C(F)F ZINC001573781116 949098337 /nfs/dbraw/zinc/09/83/37/949098337.db2.gz CHUKQQXFFSDOIZ-UHFFFAOYSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](N1CCN(C(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)CC1)C(F)(F)F ZINC001575249595 949102451 /nfs/dbraw/zinc/10/24/51/949102451.db2.gz ZFRZZPPWQDRZSM-MRVPVSSYSA-N -1 1 389.769 1.624 20 0 GDADMM CC(C)(C(=O)NCC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(F)F ZINC001573781629 949112833 /nfs/dbraw/zinc/11/28/33/949112833.db2.gz LENSLESXESRVGF-SNVBAGLBSA-N -1 1 380.403 1.281 20 0 GDADMM CC(C)c1occc1C(=O)NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001574446103 949119852 /nfs/dbraw/zinc/11/98/52/949119852.db2.gz IQJWKXCGKFUAKA-LBPRGKRZSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1occc1C(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001574446103 949119855 /nfs/dbraw/zinc/11/98/55/949119855.db2.gz IQJWKXCGKFUAKA-LBPRGKRZSA-N -1 1 382.428 1.772 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)C1CC1)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575250970 949119891 /nfs/dbraw/zinc/11/98/91/949119891.db2.gz JLSVRABZCGVISY-OLZOCXBDSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)C1CC1)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575250970 949119908 /nfs/dbraw/zinc/11/99/08/949119908.db2.gz JLSVRABZCGVISY-OLZOCXBDSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)c1occc1C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCC1 ZINC001574446211 949125600 /nfs/dbraw/zinc/12/56/00/949125600.db2.gz KBQSUFCVZOEYFM-UHFFFAOYSA-N -1 1 382.428 1.560 20 0 GDADMM CC(C)c1ocnc1C(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001574446181 949126232 /nfs/dbraw/zinc/12/62/32/949126232.db2.gz JLBAQGFNAZFJJI-LLVKDONJSA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1ocnc1C(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001574446181 949126245 /nfs/dbraw/zinc/12/62/45/949126245.db2.gz JLBAQGFNAZFJJI-LLVKDONJSA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1occc1C(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001574446431 949132733 /nfs/dbraw/zinc/13/27/33/949132733.db2.gz PXVVUTGDXVNSHN-ZDUSSCGKSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1occc1C(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001574446431 949132752 /nfs/dbraw/zinc/13/27/52/949132752.db2.gz PXVVUTGDXVNSHN-ZDUSSCGKSA-N -1 1 382.428 1.994 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)C1CCOCC1)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575251225 949135218 /nfs/dbraw/zinc/13/52/18/949135218.db2.gz MFQMAIJTTUIZFG-VXGBXAGGSA-N -1 1 388.476 1.415 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)C1CCOCC1)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575251225 949135202 /nfs/dbraw/zinc/13/52/02/949135202.db2.gz MFQMAIJTTUIZFG-VXGBXAGGSA-N -1 1 388.476 1.415 20 0 GDADMM C[C@H](NC(=O)C1(C)CCCC1)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575251287 949135363 /nfs/dbraw/zinc/13/53/63/949135363.db2.gz AHYQGPZTSYSIAX-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)c1occc1C(=O)NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574446853 949141336 /nfs/dbraw/zinc/14/13/36/949141336.db2.gz YJDLPOIWZLXURA-GFCCVEGCSA-N -1 1 382.428 1.629 20 0 GDADMM CC(C)c1occc1C(=O)NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574446853 949141348 /nfs/dbraw/zinc/14/13/48/949141348.db2.gz YJDLPOIWZLXURA-GFCCVEGCSA-N -1 1 382.428 1.629 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1 ZINC001574447086 949150218 /nfs/dbraw/zinc/15/02/18/949150218.db2.gz FTFADYYMUIYSRK-LLVKDONJSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1 ZINC001574447086 949150233 /nfs/dbraw/zinc/15/02/33/949150233.db2.gz FTFADYYMUIYSRK-LLVKDONJSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)N1CCC(CCNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574095836 949158442 /nfs/dbraw/zinc/15/84/42/949158442.db2.gz ZKIVFWBPXBCWSW-HUUCEWRRSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)N1CCC(CCNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574095836 949158452 /nfs/dbraw/zinc/15/84/52/949158452.db2.gz ZKIVFWBPXBCWSW-HUUCEWRRSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)[C@H]1CCCCO1 ZINC001573787135 949166088 /nfs/dbraw/zinc/16/60/88/949166088.db2.gz MWAVLIXDVCJHJD-YRGRVCCFSA-N -1 1 386.460 1.311 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)[C@H]1CCCCO1 ZINC001573787135 949166102 /nfs/dbraw/zinc/16/61/02/949166102.db2.gz MWAVLIXDVCJHJD-YRGRVCCFSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)C1(C(F)F)CCCC1 ZINC001575253058 949177352 /nfs/dbraw/zinc/17/73/52/949177352.db2.gz SAHUVXOFWGURIF-ZJUUUORDSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)C1(C(F)F)CCCC1 ZINC001575253058 949177366 /nfs/dbraw/zinc/17/73/66/949177366.db2.gz SAHUVXOFWGURIF-ZJUUUORDSA-N -1 1 380.403 1.787 20 0 GDADMM CC(C)c1scnc1C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574451146 949216833 /nfs/dbraw/zinc/21/68/33/949216833.db2.gz DQYZPNXPSIELNY-UHFFFAOYSA-N -1 1 385.457 1.199 20 0 GDADMM CC(C)c1scnc1C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574451146 949216856 /nfs/dbraw/zinc/21/68/56/949216856.db2.gz DQYZPNXPSIELNY-UHFFFAOYSA-N -1 1 385.457 1.199 20 0 GDADMM C[C@H](NC(=O)C1(c2ccccc2)CC1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575255928 949243968 /nfs/dbraw/zinc/24/39/68/949243968.db2.gz SMMUWLDMHIGXDT-STQMWFEESA-N -1 1 378.440 1.694 20 0 GDADMM C[C@H](NC(=O)C1(c2ccccc2)CC1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575255928 949243997 /nfs/dbraw/zinc/24/39/97/949243997.db2.gz SMMUWLDMHIGXDT-STQMWFEESA-N -1 1 378.440 1.694 20 0 GDADMM C[C@H]1CCC[C@H](C(=O)N2CCC(N(C)c3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001576152205 949245097 /nfs/dbraw/zinc/24/50/97/949245097.db2.gz IZNLLCJYOGKZEA-KBPBESRZSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](CN(C)C(=O)C1(c2ccccn2)CC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574702093 949272108 /nfs/dbraw/zinc/27/21/08/949272108.db2.gz GNCFDINCERAPDX-LBPRGKRZSA-N -1 1 379.428 1.042 20 0 GDADMM C[C@@H](CN(C)C(=O)C1(c2ccccn2)CC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574702093 949272128 /nfs/dbraw/zinc/27/21/28/949272128.db2.gz GNCFDINCERAPDX-LBPRGKRZSA-N -1 1 379.428 1.042 20 0 GDADMM C[C@@H]1CCC[C@]1(C)C(=O)N1CCC(N(C)c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576153174 949283005 /nfs/dbraw/zinc/28/30/05/949283005.db2.gz LDHWUVWIFSPEFJ-YJYMSZOUSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCC[C@]1(C)C(=O)N1CCC(N(C)c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576153174 949283026 /nfs/dbraw/zinc/28/30/26/949283026.db2.gz LDHWUVWIFSPEFJ-YJYMSZOUSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](NC(=O)C1=COCCC1)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575258023 949287171 /nfs/dbraw/zinc/28/71/71/949287171.db2.gz CVNPTCZPVKUORA-QWHCGFSZSA-N -1 1 384.444 1.072 20 0 GDADMM C[C@H](NC(=O)C1=COCCC1)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575258023 949287180 /nfs/dbraw/zinc/28/71/80/949287180.db2.gz CVNPTCZPVKUORA-QWHCGFSZSA-N -1 1 384.444 1.072 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccoc1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001574941102 949288701 /nfs/dbraw/zinc/28/87/01/949288701.db2.gz AJBCMZHYTBNGCD-QMMMGPOBSA-N -1 1 381.849 1.753 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccoc1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001574941102 949288718 /nfs/dbraw/zinc/28/87/18/949288718.db2.gz AJBCMZHYTBNGCD-QMMMGPOBSA-N -1 1 381.849 1.753 20 0 GDADMM CC1=C(C)C[C@@](C)(C(=O)NC[C@@H](O)CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001575860253 949294822 /nfs/dbraw/zinc/29/48/22/949294822.db2.gz FEOMKBWSZQYCEY-UGSOOPFHSA-N -1 1 386.460 1.072 20 0 GDADMM CC1=C(C)C[C@@](C)(C(=O)NC[C@@H](O)CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001575860253 949294840 /nfs/dbraw/zinc/29/48/40/949294840.db2.gz FEOMKBWSZQYCEY-UGSOOPFHSA-N -1 1 386.460 1.072 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(C2CC2)c1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574941196 949296148 /nfs/dbraw/zinc/29/61/48/949296148.db2.gz PEMFMCJHVBRLOJ-ZDUSSCGKSA-N -1 1 392.467 1.941 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(C2CC2)c1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574941196 949296168 /nfs/dbraw/zinc/29/61/68/949296168.db2.gz PEMFMCJHVBRLOJ-ZDUSSCGKSA-N -1 1 392.467 1.941 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc2c(c1)CCCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574941236 949301762 /nfs/dbraw/zinc/30/17/62/949301762.db2.gz PRFPIAHSMGBJOU-ZDUSSCGKSA-N -1 1 392.467 1.117 20 0 GDADMM CC(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573797047 949346346 /nfs/dbraw/zinc/34/63/46/949346346.db2.gz YYRMYIFJZCIKDH-PSASIEDQSA-N -1 1 384.366 1.504 20 0 GDADMM CC(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573797047 949346369 /nfs/dbraw/zinc/34/63/69/949346369.db2.gz YYRMYIFJZCIKDH-PSASIEDQSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccco1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574942322 949347161 /nfs/dbraw/zinc/34/71/61/949347161.db2.gz YLMOKWSQPMOOFQ-QMMMGPOBSA-N -1 1 381.849 1.753 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc[nH]1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574942356 949351133 /nfs/dbraw/zinc/35/11/33/949351133.db2.gz YZQKOYWZNGKGMR-QMMMGPOBSA-N -1 1 380.865 1.488 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc[nH]1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574942356 949351150 /nfs/dbraw/zinc/35/11/50/949351150.db2.gz YZQKOYWZNGKGMR-QMMMGPOBSA-N -1 1 380.865 1.488 20 0 GDADMM CC(C)n1cccc1C(=O)N(C)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574459812 949361280 /nfs/dbraw/zinc/36/12/80/949361280.db2.gz LCYLYHRWUXIRIO-ZDUSSCGKSA-N -1 1 381.444 1.390 20 0 GDADMM CC(C)n1cccc1C(=O)N(C)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574459812 949361300 /nfs/dbraw/zinc/36/13/00/949361300.db2.gz LCYLYHRWUXIRIO-ZDUSSCGKSA-N -1 1 381.444 1.390 20 0 GDADMM CC(C)(C)C(=O)N[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C[C@@H]1O ZINC001573799391 949367695 /nfs/dbraw/zinc/36/76/95/949367695.db2.gz LZZTZGAPSUGKTF-SFYZADRCSA-N -1 1 385.881 1.079 20 0 GDADMM C[C@@H](CN(C)C(=O)C1=COCCC1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574704098 949368187 /nfs/dbraw/zinc/36/81/87/949368187.db2.gz KULGRIRWLYCBQA-QMMMGPOBSA-N -1 1 383.865 1.930 20 0 GDADMM C[C@@H](CN(C)C(=O)C1=COCCC1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574704098 949368213 /nfs/dbraw/zinc/36/82/13/949368213.db2.gz KULGRIRWLYCBQA-QMMMGPOBSA-N -1 1 383.865 1.930 20 0 GDADMM CC1(C(=O)N2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3N(c3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001575527703 949379188 /nfs/dbraw/zinc/37/91/88/949379188.db2.gz GCUMMBJCAWRTIU-ABHRYQDASA-N -1 1 380.456 1.130 20 0 GDADMM CC1(C(=O)N2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3N(c3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575527703 949379209 /nfs/dbraw/zinc/37/92/09/949379209.db2.gz GCUMMBJCAWRTIU-ABHRYQDASA-N -1 1 380.456 1.130 20 0 GDADMM CC1(C)CN(C(=O)[C@@]2(C)CCCOC2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575527921 949380902 /nfs/dbraw/zinc/38/09/02/949380902.db2.gz JQEZKQCMAAFCAG-UGSOOPFHSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CN(C(=O)[C@@]2(C)CCCOC2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575527921 949380923 /nfs/dbraw/zinc/38/09/23/949380923.db2.gz JQEZKQCMAAFCAG-UGSOOPFHSA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)n1cnc(C(=O)NCC2(Nc3nccnc3-c3nnn[n-]3)CCC2)c1 ZINC001574464175 949397460 /nfs/dbraw/zinc/39/74/60/949397460.db2.gz ICWNJDGNYWTKSI-UHFFFAOYSA-N -1 1 382.432 1.199 20 0 GDADMM CC(C)n1cnc(C(=O)NCC2(Nc3nccnc3-c3nn[n-]n3)CCC2)c1 ZINC001574464175 949397482 /nfs/dbraw/zinc/39/74/82/949397482.db2.gz ICWNJDGNYWTKSI-UHFFFAOYSA-N -1 1 382.432 1.199 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1CCCOC1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574704907 949411449 /nfs/dbraw/zinc/41/14/49/949411449.db2.gz FXKIQDTWYHFFBQ-IUCAKERBSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1CCCOC1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574704907 949411466 /nfs/dbraw/zinc/41/14/66/949411466.db2.gz FXKIQDTWYHFFBQ-IUCAKERBSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@]1(C(=O)N2CCC(CCNc3nccnc3-c3nnn[n-]3)CC2)CCOC1 ZINC001575533813 949419826 /nfs/dbraw/zinc/41/98/26/949419826.db2.gz IRYHQGBXDSHBAO-SFHVURJKSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@]1(C(=O)N2CCC(CCNc3nccnc3-c3nn[n-]n3)CC2)CCOC1 ZINC001575533813 949419834 /nfs/dbraw/zinc/41/98/34/949419834.db2.gz IRYHQGBXDSHBAO-SFHVURJKSA-N -1 1 386.460 1.124 20 0 GDADMM CC(C)(C)C(=O)NC[C@@H]1CCC2(CN(Cc3ccc(-c4nn[n-]n4)s3)C2)O1 ZINC001573802581 949420381 /nfs/dbraw/zinc/42/03/81/949420381.db2.gz JGWHAAZNQGBOST-LBPRGKRZSA-N -1 1 390.513 1.824 20 0 GDADMM C[C@@]1(C(=O)N2CCC(CCNc3nccnc3-c3nnn[n-]3)CC2)CCOC1 ZINC001575533808 949420890 /nfs/dbraw/zinc/42/08/90/949420890.db2.gz IRYHQGBXDSHBAO-GOSISDBHSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@@]1(C(=O)N2CCC(CCNc3nccnc3-c3nn[n-]n3)CC2)CCOC1 ZINC001575533808 949420902 /nfs/dbraw/zinc/42/09/02/949420902.db2.gz IRYHQGBXDSHBAO-GOSISDBHSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2(C(F)F)CC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575867330 949433694 /nfs/dbraw/zinc/43/36/94/949433694.db2.gz JFQHPTPODUOZFI-UWVGGRQHSA-N -1 1 378.387 1.176 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2(C(F)F)CC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575867330 949433710 /nfs/dbraw/zinc/43/37/10/949433710.db2.gz JFQHPTPODUOZFI-UWVGGRQHSA-N -1 1 378.387 1.176 20 0 GDADMM CC1(C(=O)N2CCC3(CCN(c4nccnc4-c4nnn[n-]4)C3)CC2)CCC1 ZINC001575535760 949454130 /nfs/dbraw/zinc/45/41/30/949454130.db2.gz ATRKTFHLLJSQFU-UHFFFAOYSA-N -1 1 382.472 1.666 20 0 GDADMM CC1(C(=O)N2CCC3(CCN(c4nccnc4-c4nn[n-]n4)C3)CC2)CCC1 ZINC001575535760 949454147 /nfs/dbraw/zinc/45/41/47/949454147.db2.gz ATRKTFHLLJSQFU-UHFFFAOYSA-N -1 1 382.472 1.666 20 0 GDADMM C[C@]1(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CCc2ccccc21 ZINC001575535741 949455221 /nfs/dbraw/zinc/45/52/21/949455221.db2.gz AIUOLLMWTUBBKK-XOBRGWDASA-N -1 1 390.451 1.574 20 0 GDADMM C[C@]1(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CCc2ccccc21 ZINC001575535741 949455229 /nfs/dbraw/zinc/45/52/29/949455229.db2.gz AIUOLLMWTUBBKK-XOBRGWDASA-N -1 1 390.451 1.574 20 0 GDADMM CC(C)n1nccc1C(=O)N(C)C1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574468557 949460998 /nfs/dbraw/zinc/46/09/98/949460998.db2.gz PQMHAFLZOIQBHP-UHFFFAOYSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1nccc1C(=O)N(C)C1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574468557 949461017 /nfs/dbraw/zinc/46/10/17/949461017.db2.gz PQMHAFLZOIQBHP-UHFFFAOYSA-N -1 1 382.432 1.149 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C(C2CC2)C2CC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575871121 949508727 /nfs/dbraw/zinc/50/87/27/949508727.db2.gz ZDJDGUJWNBIIHA-RISCZKNCSA-N -1 1 382.472 1.566 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C(C2CC2)C2CC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575871121 949508743 /nfs/dbraw/zinc/50/87/43/949508743.db2.gz ZDJDGUJWNBIIHA-RISCZKNCSA-N -1 1 382.472 1.566 20 0 GDADMM CC(C)CC(=O)NC[C@H]1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)CCO1 ZINC001574121409 949513806 /nfs/dbraw/zinc/51/38/06/949513806.db2.gz QBHMTMZFWFXDEQ-VIFPVBQESA-N -1 1 385.881 1.344 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CC2CC(F)(F)C2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575871933 949523003 /nfs/dbraw/zinc/52/30/03/949523003.db2.gz DBTPDFRNUVYXED-ZYHUDNBSSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H](CNC(=O)[C@@H](C)OCc1ccccc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574950383 949532235 /nfs/dbraw/zinc/53/22/35/949532235.db2.gz NNHWLSBGWCAISC-CHWSQXEVSA-N -1 1 382.428 1.179 20 0 GDADMM C[C@H](CNC(=O)[C@@H](C)OCc1ccccc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574950383 949532244 /nfs/dbraw/zinc/53/22/44/949532244.db2.gz NNHWLSBGWCAISC-CHWSQXEVSA-N -1 1 382.428 1.179 20 0 GDADMM C[C@H](CC(=O)N(C)C1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574471857 949537930 /nfs/dbraw/zinc/53/79/30/949537930.db2.gz NSBJDNGXIDKNRT-PNESKVBLSA-N -1 1 382.428 1.267 20 0 GDADMM CC1(C(=O)N2CC[C@@H]3[C@@H](CCN3c3ccc(-c4nnn[n-]4)nn3)C2)CCCC1 ZINC001575539043 949538867 /nfs/dbraw/zinc/53/88/67/949538867.db2.gz LRUXGNDFPHWJTD-DZGCQCFKSA-N -1 1 382.472 1.664 20 0 GDADMM CC1(C(=O)N2CC[C@@H]3[C@@H](CCN3c3ccc(-c4nn[n-]n4)nn3)C2)CCCC1 ZINC001575539043 949538889 /nfs/dbraw/zinc/53/88/89/949538889.db2.gz LRUXGNDFPHWJTD-DZGCQCFKSA-N -1 1 382.472 1.664 20 0 GDADMM CC(C)CC(=O)NCc1ccc(CCNc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001574123138 949539802 /nfs/dbraw/zinc/53/98/02/949539802.db2.gz IPFHQWYLIPWYGP-UHFFFAOYSA-N -1 1 380.456 1.396 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1)c1ccncc1 ZINC001574472463 949553689 /nfs/dbraw/zinc/55/36/89/949553689.db2.gz VCWJSQVDVICCIG-STQMWFEESA-N -1 1 381.444 1.504 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1)c1ccncc1 ZINC001574472463 949553698 /nfs/dbraw/zinc/55/36/98/949553698.db2.gz VCWJSQVDVICCIG-STQMWFEESA-N -1 1 381.444 1.504 20 0 GDADMM C[C@H]1CCCN(C(=O)CC(F)(F)F)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576164519 949555030 /nfs/dbraw/zinc/55/50/30/949555030.db2.gz GVQTUDSPOPNYMH-VHSXEESVSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H]1CCCN(C(=O)CC(F)(F)F)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576164519 949555043 /nfs/dbraw/zinc/55/50/43/949555043.db2.gz GVQTUDSPOPNYMH-VHSXEESVSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2CC(F)(F)C2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575872714 949555791 /nfs/dbraw/zinc/55/57/91/949555791.db2.gz LBKBASQDTQGMLR-ONGXEEELSA-N -1 1 378.387 1.176 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2CC(F)(F)C2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575872714 949555801 /nfs/dbraw/zinc/55/58/01/949555801.db2.gz LBKBASQDTQGMLR-ONGXEEELSA-N -1 1 378.387 1.176 20 0 GDADMM C[C@@]1(C(=O)N2CCC[C@@H](CCNc3ccc(-c4nnn[n-]4)nn3)C2)CCOC1 ZINC001575539774 949558035 /nfs/dbraw/zinc/55/80/35/949558035.db2.gz STCWJTCSBVXYGO-SCLBCKFNSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@@]1(C(=O)N2CCC[C@@H](CCNc3ccc(-c4nn[n-]n4)nn3)C2)CCOC1 ZINC001575539774 949558053 /nfs/dbraw/zinc/55/80/53/949558053.db2.gz STCWJTCSBVXYGO-SCLBCKFNSA-N -1 1 386.460 1.124 20 0 GDADMM CC1(C(=O)N2CCC[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)CC(F)(F)C1 ZINC001575540682 949571080 /nfs/dbraw/zinc/57/10/80/949571080.db2.gz ZDWCWFFPZLGKJX-LLVKDONJSA-N -1 1 392.414 1.743 20 0 GDADMM CC1(C(=O)N2CCC[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)CC(F)(F)C1 ZINC001575540682 949571093 /nfs/dbraw/zinc/57/10/93/949571093.db2.gz ZDWCWFFPZLGKJX-LLVKDONJSA-N -1 1 392.414 1.743 20 0 GDADMM C[C@@H](NC(=O)CC1(O)CCC1)[C@@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575270176 949577274 /nfs/dbraw/zinc/57/72/74/949577274.db2.gz YJLGYCWJBCIZMY-HTQZYQBOSA-N -1 1 385.881 1.587 20 0 GDADMM C[C@@H](NC(=O)CC1(O)CCC1)[C@@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575270176 949577291 /nfs/dbraw/zinc/57/72/91/949577291.db2.gz YJLGYCWJBCIZMY-HTQZYQBOSA-N -1 1 385.881 1.587 20 0 GDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](C)NC(=O)CCCc1cccnc1 ZINC001575270320 949586061 /nfs/dbraw/zinc/58/60/61/949586061.db2.gz CEQGARMOTZZBPS-OLZOCXBDSA-N -1 1 381.444 1.380 20 0 GDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](C)NC(=O)CCCc1cccnc1 ZINC001575270320 949586087 /nfs/dbraw/zinc/58/60/87/949586087.db2.gz CEQGARMOTZZBPS-OLZOCXBDSA-N -1 1 381.444 1.380 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001574476042 949587411 /nfs/dbraw/zinc/58/74/11/949587411.db2.gz FFBFRBLIASKGDG-QWHCGFSZSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001574476042 949587434 /nfs/dbraw/zinc/58/74/34/949587434.db2.gz FFBFRBLIASKGDG-QWHCGFSZSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@H](CN(C)C(=O)CC(C)(C)C(F)(F)F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574712874 949588318 /nfs/dbraw/zinc/58/83/18/949588318.db2.gz UTCMLFPDEOARJH-SECBINFHSA-N -1 1 386.382 1.894 20 0 GDADMM C[C@H](CN(C)C(=O)CC(C)(C)C(F)(F)F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574712874 949588329 /nfs/dbraw/zinc/58/83/29/949588329.db2.gz UTCMLFPDEOARJH-SECBINFHSA-N -1 1 386.382 1.894 20 0 GDADMM C[C@]1(C(=O)N2CCCCC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)CCOC1 ZINC001575546063 949605712 /nfs/dbraw/zinc/60/57/12/949605712.db2.gz OOZCDCFBKWVAOK-UGSOOPFHSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@]1(C(=O)N2CCCCC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)CCOC1 ZINC001575546063 949605729 /nfs/dbraw/zinc/60/57/29/949605729.db2.gz OOZCDCFBKWVAOK-UGSOOPFHSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2C=CC=CC=C2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576167536 949609061 /nfs/dbraw/zinc/60/90/61/949609061.db2.gz QDSUVLCXGKVRRP-GDBMZVCRSA-N -1 1 392.467 1.416 20 0 GDADMM C[C@@H](CNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574957819 949635721 /nfs/dbraw/zinc/63/57/21/949635721.db2.gz IYDODCVDNBQJEV-CFZJUORYSA-N -1 1 378.440 1.767 20 0 GDADMM C[C@@H](CNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574957819 949635736 /nfs/dbraw/zinc/63/57/36/949635736.db2.gz IYDODCVDNBQJEV-CFZJUORYSA-N -1 1 378.440 1.767 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574958036 949645558 /nfs/dbraw/zinc/64/55/58/949645558.db2.gz DFGGTGLMXDWZDE-UJNFCWOMSA-N -1 1 381.893 1.964 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574958036 949645572 /nfs/dbraw/zinc/64/55/72/949645572.db2.gz DFGGTGLMXDWZDE-UJNFCWOMSA-N -1 1 381.893 1.964 20 0 GDADMM C[C@@H](NC(=O)CCC1CCC1)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575272435 949647085 /nfs/dbraw/zinc/64/70/85/949647085.db2.gz QRUFALZFHZNCLV-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CC(C)(C)C(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001574129841 949647409 /nfs/dbraw/zinc/64/74/09/949647409.db2.gz ZGSZHLMPURSYPZ-OKILXGFUSA-N -1 1 384.488 1.624 20 0 GDADMM CC(C)CC(C)(C)C(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001574129841 949647425 /nfs/dbraw/zinc/64/74/25/949647425.db2.gz ZGSZHLMPURSYPZ-OKILXGFUSA-N -1 1 384.488 1.624 20 0 GDADMM C[C@@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574958212 949658084 /nfs/dbraw/zinc/65/80/84/949658084.db2.gz OCVVISOSHAYHNM-RBXMUDONSA-N -1 1 383.865 1.033 20 0 GDADMM C[C@@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574958212 949658096 /nfs/dbraw/zinc/65/80/96/949658096.db2.gz OCVVISOSHAYHNM-RBXMUDONSA-N -1 1 383.865 1.033 20 0 GDADMM C[C@H]1CCCC[C@H]1C(=O)NC1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576169040 949662564 /nfs/dbraw/zinc/66/25/64/949662564.db2.gz IAIRIRKSWZTKNW-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CCn2cccc2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575877646 949666716 /nfs/dbraw/zinc/66/67/16/949666716.db2.gz MFRKXRVWZXYJAI-KGLIPLIRSA-N -1 1 381.444 1.022 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CCn2cccc2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575877646 949666731 /nfs/dbraw/zinc/66/67/31/949666731.db2.gz MFRKXRVWZXYJAI-KGLIPLIRSA-N -1 1 381.444 1.022 20 0 GDADMM CC1(C(=O)N2CCO[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)CCCCC1 ZINC001575548340 949669416 /nfs/dbraw/zinc/66/94/16/949669416.db2.gz XKWNWIULIODDQK-ZDUSSCGKSA-N -1 1 386.460 1.266 20 0 GDADMM CC1(C(=O)N2CCO[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)CCCCC1 ZINC001575548340 949669436 /nfs/dbraw/zinc/66/94/36/949669436.db2.gz XKWNWIULIODDQK-ZDUSSCGKSA-N -1 1 386.460 1.266 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)Cc1ccsc1 ZINC001573816177 949672264 /nfs/dbraw/zinc/67/22/64/949672264.db2.gz PLEWBEKSXPAESK-ZDUSSCGKSA-N -1 1 386.485 1.904 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)Cc1ccsc1 ZINC001573816177 949672275 /nfs/dbraw/zinc/67/22/75/949672275.db2.gz PLEWBEKSXPAESK-ZDUSSCGKSA-N -1 1 386.485 1.904 20 0 GDADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@]12C[C@H]1CCCC2 ZINC001573816611 949681403 /nfs/dbraw/zinc/68/14/03/949681403.db2.gz SOURJGIRZUIVQD-QHRIQVFBSA-N -1 1 384.488 1.602 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574958624 949685370 /nfs/dbraw/zinc/68/53/70/949685370.db2.gz LPGNUHPBLYZJBT-VHDGCEQUSA-N -1 1 378.440 1.401 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574958649 949686106 /nfs/dbraw/zinc/68/61/06/949686106.db2.gz LXHBPYACUQVMTI-VHDGCEQUSA-N -1 1 378.440 1.625 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574958649 949686117 /nfs/dbraw/zinc/68/61/17/949686117.db2.gz LXHBPYACUQVMTI-VHDGCEQUSA-N -1 1 378.440 1.625 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@H]1CCCOC1 ZINC001573816926 949689124 /nfs/dbraw/zinc/68/91/24/949689124.db2.gz VOFBLIDYPKIBSC-TZMCWYRMSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@H]1CCCOC1 ZINC001573816926 949689142 /nfs/dbraw/zinc/68/91/42/949689142.db2.gz VOFBLIDYPKIBSC-TZMCWYRMSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@@H]1CCCN(C(=O)Cc2ccc[nH]2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576169703 949690735 /nfs/dbraw/zinc/69/07/35/949690735.db2.gz HUXQRJZUXWJECR-IUODEOHRSA-N -1 1 381.444 1.267 20 0 GDADMM C[C@@H]1CCCN(C(=O)Cc2ccc[nH]2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576169703 949690749 /nfs/dbraw/zinc/69/07/49/949690749.db2.gz HUXQRJZUXWJECR-IUODEOHRSA-N -1 1 381.444 1.267 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@@H]1CCCC1(F)F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574716431 949692784 /nfs/dbraw/zinc/69/27/84/949692784.db2.gz OJQSEVWBABAWJG-MNOVXSKESA-N -1 1 380.403 1.163 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cccc(=O)[nH]1 ZINC001573817187 949700161 /nfs/dbraw/zinc/70/01/61/949700161.db2.gz YOVWLUOGCPSADE-GFCCVEGCSA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cccc(=O)[nH]1 ZINC001573817187 949700172 /nfs/dbraw/zinc/70/01/72/949700172.db2.gz YOVWLUOGCPSADE-GFCCVEGCSA-N -1 1 383.416 1.014 20 0 GDADMM C[C@H]1[C@H](NC(=O)CCC(F)(F)F)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575880649 949702293 /nfs/dbraw/zinc/70/22/93/949702293.db2.gz VEVFAPRFVJBNOS-VHSXEESVSA-N -1 1 384.366 1.473 20 0 GDADMM C[C@H]1[C@H](NC(=O)CCC(F)(F)F)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575880649 949702306 /nfs/dbraw/zinc/70/23/06/949702306.db2.gz VEVFAPRFVJBNOS-VHSXEESVSA-N -1 1 384.366 1.473 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CCc2ccoc2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575881453 949716980 /nfs/dbraw/zinc/71/69/80/949716980.db2.gz XTNUAQDHZYKWCB-JSGCOSHPSA-N -1 1 382.428 1.356 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CCc2ccoc2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575881453 949717001 /nfs/dbraw/zinc/71/70/01/949717001.db2.gz XTNUAQDHZYKWCB-JSGCOSHPSA-N -1 1 382.428 1.356 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@@H]1CCC(C)(C)CO1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574717361 949731700 /nfs/dbraw/zinc/73/17/00/949731700.db2.gz VKIDXSGTBKXSPI-OLZOCXBDSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@@H]1CCC(C)(C)CO1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574717361 949731718 /nfs/dbraw/zinc/73/17/18/949731718.db2.gz VKIDXSGTBKXSPI-OLZOCXBDSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001574480233 949747384 /nfs/dbraw/zinc/74/73/84/949747384.db2.gz HTROEBRRCBBAEP-OLZOCXBDSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001574480233 949747393 /nfs/dbraw/zinc/74/73/93/949747393.db2.gz HTROEBRRCBBAEP-OLZOCXBDSA-N -1 1 382.428 1.481 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[C@@H]1CCCCO1 ZINC001573819283 949749651 /nfs/dbraw/zinc/74/96/51/949749651.db2.gz SIUIWXBYXFMOIV-GXTWGEPZSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[C@@H]1CCCCO1 ZINC001573819283 949749666 /nfs/dbraw/zinc/74/96/66/949749666.db2.gz SIUIWXBYXFMOIV-GXTWGEPZSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H]1CC[C@H](C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)[C@@H]2C)CC1 ZINC001575882082 949751091 /nfs/dbraw/zinc/75/10/91/949751091.db2.gz GAYIMOGIHNPALJ-TUVASFSCSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H]1CC[C@H](C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)[C@@H]2C)CC1 ZINC001575882082 949751102 /nfs/dbraw/zinc/75/11/02/949751102.db2.gz GAYIMOGIHNPALJ-TUVASFSCSA-N -1 1 384.488 1.957 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)Cc1cccnc1 ZINC001573820329 949764588 /nfs/dbraw/zinc/76/45/88/949764588.db2.gz XVGFHHNQANZKRG-AWEZNQCLSA-N -1 1 381.444 1.237 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)Cc1cccnc1 ZINC001573820329 949764605 /nfs/dbraw/zinc/76/46/05/949764605.db2.gz XVGFHHNQANZKRG-AWEZNQCLSA-N -1 1 381.444 1.237 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cc1cccnc1 ZINC001573820655 949767969 /nfs/dbraw/zinc/76/79/69/949767969.db2.gz YKHAABZYRDQQHS-CQSZACIVSA-N -1 1 381.444 1.237 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cc1cccnc1 ZINC001573820655 949767987 /nfs/dbraw/zinc/76/79/87/949767987.db2.gz YKHAABZYRDQQHS-CQSZACIVSA-N -1 1 381.444 1.237 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2cc(Cl)no2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575882903 949797102 /nfs/dbraw/zinc/79/71/02/949797102.db2.gz BOPJTDUZTISMGM-DTWKUNHWSA-N -1 1 389.807 1.085 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2cc(Cl)no2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575882903 949797118 /nfs/dbraw/zinc/79/71/18/949797118.db2.gz BOPJTDUZTISMGM-DTWKUNHWSA-N -1 1 389.807 1.085 20 0 GDADMM C[C@H]1CCCN(C(=O)COC(C)(C)C)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576172140 949797338 /nfs/dbraw/zinc/79/73/38/949797338.db2.gz VSGLWVOGSYBHMV-GXTWGEPZSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H]1CCCN(C(=O)COC(C)(C)C)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576172140 949797355 /nfs/dbraw/zinc/79/73/55/949797355.db2.gz VSGLWVOGSYBHMV-GXTWGEPZSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CN(C)C(=O)CCc1ccc(F)cc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574720618 949800176 /nfs/dbraw/zinc/80/01/76/949800176.db2.gz DVLCXGLPDBKGJG-GFCCVEGCSA-N -1 1 384.419 1.687 20 0 GDADMM C[C@H](CN(C)C(=O)CCc1ccc(F)cc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574720618 949800200 /nfs/dbraw/zinc/80/02/00/949800200.db2.gz DVLCXGLPDBKGJG-GFCCVEGCSA-N -1 1 384.419 1.687 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)NC[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCO1 ZINC001574139528 949821152 /nfs/dbraw/zinc/82/11/52/949821152.db2.gz KCSOBFMXZGJSOO-KGLIPLIRSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@@H](CN(C)C(=O)CCCc1ccccc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574721883 949824083 /nfs/dbraw/zinc/82/40/83/949824083.db2.gz OSIAUMDLNUCFNE-AWEZNQCLSA-N -1 1 380.456 1.938 20 0 GDADMM C[C@@H](CN(C)C(=O)CCCc1ccccc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574721883 949824097 /nfs/dbraw/zinc/82/40/97/949824097.db2.gz OSIAUMDLNUCFNE-AWEZNQCLSA-N -1 1 380.456 1.938 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1 ZINC001574139933 949826628 /nfs/dbraw/zinc/82/66/28/949826628.db2.gz LPQYKQMECDMHKX-XGUBFFRZSA-N -1 1 384.488 1.955 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1 ZINC001574139933 949826649 /nfs/dbraw/zinc/82/66/49/949826649.db2.gz LPQYKQMECDMHKX-XGUBFFRZSA-N -1 1 384.488 1.955 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2nccs2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576177698 949857211 /nfs/dbraw/zinc/85/72/11/949857211.db2.gz AOFHEAWLKKVYTP-PWSUYJOCSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2nccs2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576177698 949857226 /nfs/dbraw/zinc/85/72/26/949857226.db2.gz AOFHEAWLKKVYTP-PWSUYJOCSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@]1(C(=O)NC2CCC(Nc3cncc(-c4nnn[n-]4)n3)CC2)CCCOC1 ZINC001575565279 949878400 /nfs/dbraw/zinc/87/84/00/949878400.db2.gz VJNLSVWLHLFIOE-PWGQDJSOSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@]1(C(=O)NC2CCC(Nc3cncc(-c4nn[n-]n4)n3)CC2)CCCOC1 ZINC001575565279 949878424 /nfs/dbraw/zinc/87/84/24/949878424.db2.gz VJNLSVWLHLFIOE-PWGQDJSOSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](CC(=O)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)n1cccc1 ZINC001574484492 949880178 /nfs/dbraw/zinc/88/01/78/949880178.db2.gz HUZVZWORIKMPRH-CQSZACIVSA-N -1 1 381.444 1.148 20 0 GDADMM C[C@H](CC(=O)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)n1cccc1 ZINC001574484492 949880205 /nfs/dbraw/zinc/88/02/05/949880205.db2.gz HUZVZWORIKMPRH-CQSZACIVSA-N -1 1 381.444 1.148 20 0 GDADMM CC1(C(=O)N[C@@H]2CC[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]3C2)CCC1 ZINC001575565953 949889711 /nfs/dbraw/zinc/88/97/11/949889711.db2.gz ZDWLINRCKIDONO-BFHYXJOUSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccncc2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576178903 949901261 /nfs/dbraw/zinc/90/12/61/949901261.db2.gz DBHIFCJFCVFYEG-DOMZBBRYSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccncc2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576178903 949901277 /nfs/dbraw/zinc/90/12/77/949901277.db2.gz DBHIFCJFCVFYEG-DOMZBBRYSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@@H](NC(=O)COc1ccc(F)cc1)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575284282 949901877 /nfs/dbraw/zinc/90/18/77/949901877.db2.gz TYLVVKJKZKAKJF-GHMZBOCLSA-N -1 1 386.391 1.180 20 0 GDADMM C[C@@H](NC(=O)COc1ccc(F)cc1)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575284282 949901892 /nfs/dbraw/zinc/90/18/92/949901892.db2.gz TYLVVKJKZKAKJF-GHMZBOCLSA-N -1 1 386.391 1.180 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1)n1cccc1 ZINC001574484791 949906257 /nfs/dbraw/zinc/90/62/57/949906257.db2.gz OIOXEKVBWYGAFY-KBPBESRZSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1)n1cccc1 ZINC001574484791 949906280 /nfs/dbraw/zinc/90/62/80/949906280.db2.gz OIOXEKVBWYGAFY-KBPBESRZSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001574485304 949923844 /nfs/dbraw/zinc/92/38/44/949923844.db2.gz WVTTUYWXVKRUJI-KBPBESRZSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574485304 949923860 /nfs/dbraw/zinc/92/38/60/949923860.db2.gz WVTTUYWXVKRUJI-KBPBESRZSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@H]1CCN(C(=O)C(C)(C)C2CC2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576179887 949928652 /nfs/dbraw/zinc/92/86/52/949928652.db2.gz MNPFEFUMYQFTFW-QWHCGFSZSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H]1CCN(C(=O)C(C)(C)C2CC2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576179887 949928663 /nfs/dbraw/zinc/92/86/63/949928663.db2.gz MNPFEFUMYQFTFW-QWHCGFSZSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)(C)CC(=O)N1CC[C@@]2(C1)CCCN(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001573829754 949967714 /nfs/dbraw/zinc/96/77/14/949967714.db2.gz FIPWZMBMAPTSDR-IBGZPJMESA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)(C)CC(=O)N1CC[C@@]2(C1)CCCN(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001573829754 949967725 /nfs/dbraw/zinc/96/77/25/949967725.db2.gz FIPWZMBMAPTSDR-IBGZPJMESA-N -1 1 384.488 1.912 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(C(F)F)CC2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576181076 949990191 /nfs/dbraw/zinc/99/01/91/949990191.db2.gz SAPHJJSBPKJYRA-GHMZBOCLSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(C(F)F)CC2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576181076 949990206 /nfs/dbraw/zinc/99/02/06/949990206.db2.gz SAPHJJSBPKJYRA-GHMZBOCLSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ccc(Cl)cc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574728645 950002560 /nfs/dbraw/zinc/00/25/60/950002560.db2.gz GCOSWAVCACYFDK-LLVKDONJSA-N -1 1 386.847 1.812 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ccc(Cl)cc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574728645 950002561 /nfs/dbraw/zinc/00/25/61/950002561.db2.gz GCOSWAVCACYFDK-LLVKDONJSA-N -1 1 386.847 1.812 20 0 GDADMM C[C@H](CC(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)n1cccc1 ZINC001574490715 950011565 /nfs/dbraw/zinc/01/15/65/950011565.db2.gz XOUUANSZXCKODE-DOMZBBRYSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](CC(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)n1cccc1 ZINC001574490715 950011588 /nfs/dbraw/zinc/01/15/88/950011588.db2.gz XOUUANSZXCKODE-DOMZBBRYSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1cnoc1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574728829 950012333 /nfs/dbraw/zinc/01/23/33/950012333.db2.gz KJPZVURYTVKCAH-SSDOTTSWSA-N -1 1 382.837 1.466 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1cnoc1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574728829 950012355 /nfs/dbraw/zinc/01/23/55/950012355.db2.gz KJPZVURYTVKCAH-SSDOTTSWSA-N -1 1 382.837 1.466 20 0 GDADMM C[C@@H](CC(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)c1ccco1 ZINC001574490665 950015392 /nfs/dbraw/zinc/01/53/92/950015392.db2.gz XBLLIQZHKIGSOM-AAEUAGOBSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](CC(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)c1ccco1 ZINC001574490665 950015415 /nfs/dbraw/zinc/01/54/15/950015415.db2.gz XBLLIQZHKIGSOM-AAEUAGOBSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](CC(=O)N[C@@]1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001574490778 950017722 /nfs/dbraw/zinc/01/77/22/950017722.db2.gz YUAQQBZBFPLELM-UGSOOPFHSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](CC(=O)N[C@@]1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001574490778 950017745 /nfs/dbraw/zinc/01/77/45/950017745.db2.gz YUAQQBZBFPLELM-UGSOOPFHSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H]1CCN(C(=O)CCCC2CC2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576182036 950032694 /nfs/dbraw/zinc/03/26/94/950032694.db2.gz KQCIYSWXUSWTFF-DZGCQCFKSA-N -1 1 384.488 1.555 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1cnoc1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574730909 950045000 /nfs/dbraw/zinc/04/50/00/950045000.db2.gz SQNGPFNABRAMBY-SSDOTTSWSA-N -1 1 382.837 1.466 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cn[nH]c2)[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001576182349 950052598 /nfs/dbraw/zinc/05/25/98/950052598.db2.gz ODARVYTVNGTZFL-AAEUAGOBSA-N -1 1 382.432 1.123 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cn[nH]c2)[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001576182349 950052619 /nfs/dbraw/zinc/05/26/19/950052619.db2.gz ODARVYTVNGTZFL-AAEUAGOBSA-N -1 1 382.432 1.123 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1cc(C2CC2)no1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574731525 950054079 /nfs/dbraw/zinc/05/40/79/950054079.db2.gz WHWKPKUNVKOLEZ-SNVBAGLBSA-N -1 1 383.416 1.024 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1cc(C2CC2)no1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574731525 950054103 /nfs/dbraw/zinc/05/41/03/950054103.db2.gz WHWKPKUNVKOLEZ-SNVBAGLBSA-N -1 1 383.416 1.024 20 0 GDADMM C[C@@H](CC(=O)N[C@]1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574492002 950056314 /nfs/dbraw/zinc/05/63/14/950056314.db2.gz IEHCOBVRRGDMFP-KPZWWZAWSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccoc2)[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576182738 950063834 /nfs/dbraw/zinc/06/38/34/950063834.db2.gz PDPBIAYDVNIIMF-OCCSQVGLSA-N -1 1 382.428 1.415 20 0 GDADMM C[C@@H]1CCN(C(=O)C2CC3(CC3)C2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576182944 950070137 /nfs/dbraw/zinc/07/01/37/950070137.db2.gz OCJJZLKAAWBAJB-OCCSQVGLSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@@H]1CCN(C(=O)C2CC3(CC3)C2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576182944 950070159 /nfs/dbraw/zinc/07/01/59/950070159.db2.gz OCJJZLKAAWBAJB-OCCSQVGLSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001574492501 950087254 /nfs/dbraw/zinc/08/72/54/950087254.db2.gz NNHQCEDLXJMAPL-UWVGGRQHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001574492501 950087270 /nfs/dbraw/zinc/08/72/70/950087270.db2.gz NNHQCEDLXJMAPL-UWVGGRQHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cc(F)c[nH]2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576183757 950100586 /nfs/dbraw/zinc/10/05/86/950100586.db2.gz ULDBLWQDUIGODV-MFKMUULPSA-N -1 1 385.407 1.477 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cc(F)c[nH]2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576183757 950100604 /nfs/dbraw/zinc/10/06/04/950100604.db2.gz ULDBLWQDUIGODV-MFKMUULPSA-N -1 1 385.407 1.477 20 0 GDADMM C[C@H]1CCN(C(=O)C2(CF)CCC2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576183911 950105928 /nfs/dbraw/zinc/10/59/28/950105928.db2.gz SCEUUCRFKFXFCP-STQMWFEESA-N -1 1 388.451 1.693 20 0 GDADMM C[C@H]1CCN(C(=O)C2(CF)CCC2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576183911 950105936 /nfs/dbraw/zinc/10/59/36/950105936.db2.gz SCEUUCRFKFXFCP-STQMWFEESA-N -1 1 388.451 1.693 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2ccoc2Cl)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575894589 950106408 /nfs/dbraw/zinc/10/64/08/950106408.db2.gz FJRGXTIMFARJTF-MWLCHTKSSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@@H]1CCN(C(=O)C2C=CC=CC=C2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576183942 950109958 /nfs/dbraw/zinc/10/99/58/950109958.db2.gz SHWAVNLRJVGCQE-ZBFHGGJFSA-N -1 1 392.467 1.274 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cccnc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574733499 950114496 /nfs/dbraw/zinc/11/44/96/950114496.db2.gz CUJQAUCTHHZPPR-KWCYVHTRSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cccnc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574733499 950114511 /nfs/dbraw/zinc/11/45/11/950114511.db2.gz CUJQAUCTHHZPPR-KWCYVHTRSA-N -1 1 379.428 1.114 20 0 GDADMM CC(C)(C)CC(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)C[C@H]1O ZINC001573839335 950130327 /nfs/dbraw/zinc/13/03/27/950130327.db2.gz QZRSMRCCOFATMH-HTQZYQBOSA-N -1 1 385.881 1.079 20 0 GDADMM CC(C)(C)CC(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)C[C@H]1O ZINC001573839335 950130338 /nfs/dbraw/zinc/13/03/38/950130338.db2.gz QZRSMRCCOFATMH-HTQZYQBOSA-N -1 1 385.881 1.079 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccon2)[C@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576185012 950150049 /nfs/dbraw/zinc/15/00/49/950150049.db2.gz YJXLRKBZIJHNMD-FZMZJTMJSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccon2)[C@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576185012 950150064 /nfs/dbraw/zinc/15/00/64/950150064.db2.gz YJXLRKBZIJHNMD-FZMZJTMJSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@H](CC(=O)N[C@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001574494468 950166280 /nfs/dbraw/zinc/16/62/80/950166280.db2.gz ZIMFLWVICALBOU-KZULUSFZSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](CC(=O)N[C@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001574494468 950166291 /nfs/dbraw/zinc/16/62/91/950166291.db2.gz ZIMFLWVICALBOU-KZULUSFZSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1)C(F)(F)F ZINC001574494678 950177275 /nfs/dbraw/zinc/17/72/75/950177275.db2.gz MOOUOTCBDOZDBT-LDYMZIIASA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1)C(F)(F)F ZINC001574494678 950177289 /nfs/dbraw/zinc/17/72/89/950177289.db2.gz MOOUOTCBDOZDBT-LDYMZIIASA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H]1CCN(C(=O)c2cccn2C)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576191149 950188648 /nfs/dbraw/zinc/18/86/48/950188648.db2.gz GLRJEAJTCQIALV-STQMWFEESA-N -1 1 381.444 1.206 20 0 GDADMM C[C@H]1CCN(C(=O)c2cccn2C)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576191149 950188661 /nfs/dbraw/zinc/18/86/61/950188661.db2.gz GLRJEAJTCQIALV-STQMWFEESA-N -1 1 381.444 1.206 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@@H]1CCCOC1 ZINC001574155220 950189644 /nfs/dbraw/zinc/18/96/44/950189644.db2.gz KDTHAYZZAKLNRS-KBPBESRZSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@@H]1CCCOC1 ZINC001574155220 950189655 /nfs/dbraw/zinc/18/96/55/950189655.db2.gz KDTHAYZZAKLNRS-KBPBESRZSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)c1ccco1 ZINC001574155548 950195809 /nfs/dbraw/zinc/19/58/09/950195809.db2.gz NIZOXEWLEMZRNF-QWHCGFSZSA-N -1 1 384.444 1.418 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H](CO)Nc1cnc(-c2nnn[n-]2)cn1)C1CCCCC1 ZINC001574496093 950211555 /nfs/dbraw/zinc/21/15/55/950211555.db2.gz VMLYASMKWJIYCQ-JSGCOSHPSA-N -1 1 388.476 1.152 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H](CO)Nc1cnc(-c2nn[n-]n2)cn1)C1CCCCC1 ZINC001574496093 950211574 /nfs/dbraw/zinc/21/15/74/950211574.db2.gz VMLYASMKWJIYCQ-JSGCOSHPSA-N -1 1 388.476 1.152 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2sccc2F)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575901039 950217410 /nfs/dbraw/zinc/21/74/10/950217410.db2.gz KEVKZNJPULFKQW-KOLCDFICSA-N -1 1 388.432 1.645 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2sccc2F)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575901039 950217428 /nfs/dbraw/zinc/21/74/28/950217428.db2.gz KEVKZNJPULFKQW-KOLCDFICSA-N -1 1 388.432 1.645 20 0 GDADMM C[C@H](CC(=O)NC[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1)c1ccco1 ZINC001574497005 950221327 /nfs/dbraw/zinc/22/13/27/950221327.db2.gz YCIQSODHMYPQTD-YPMHNXCESA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](CC(=O)NC[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1)c1ccco1 ZINC001574497005 950221330 /nfs/dbraw/zinc/22/13/30/950221330.db2.gz YCIQSODHMYPQTD-YPMHNXCESA-N -1 1 382.428 1.750 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CCn1cccc1 ZINC001574158135 950273071 /nfs/dbraw/zinc/27/30/71/950273071.db2.gz OTYNKOFJWPTHBP-AWEZNQCLSA-N -1 1 383.460 1.491 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CCn1cccc1 ZINC001574158135 950273088 /nfs/dbraw/zinc/27/30/88/950273088.db2.gz OTYNKOFJWPTHBP-AWEZNQCLSA-N -1 1 383.460 1.491 20 0 GDADMM CC1(C(=O)NCC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CCCCC1 ZINC001575592046 950279014 /nfs/dbraw/zinc/27/90/14/950279014.db2.gz ANAYNYHZWABWBR-CQSZACIVSA-N -1 1 384.488 1.960 20 0 GDADMM CC1(C(=O)NCC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CCCCC1 ZINC001575592046 950279033 /nfs/dbraw/zinc/27/90/33/950279033.db2.gz ANAYNYHZWABWBR-CQSZACIVSA-N -1 1 384.488 1.960 20 0 GDADMM C[C@H]1CCN(C(=O)c2cscn2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576193139 950287044 /nfs/dbraw/zinc/28/70/44/950287044.db2.gz SCDQCBBYZKBSHI-WDEREUQCSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H]1CCN(C(=O)c2cscn2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576193139 950287063 /nfs/dbraw/zinc/28/70/63/950287063.db2.gz SCDQCBBYZKBSHI-WDEREUQCSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H]1CCN(C(=O)c2nccs2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576193346 950295863 /nfs/dbraw/zinc/29/58/63/950295863.db2.gz TXOJBYDAKKMDMB-QWRGUYRKSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H]1CCN(C(=O)c2nccs2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576193346 950295884 /nfs/dbraw/zinc/29/58/84/950295884.db2.gz TXOJBYDAKKMDMB-QWRGUYRKSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cccs2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576193340 950298111 /nfs/dbraw/zinc/29/81/11/950298111.db2.gz SZFXISYRYKXFGE-VXGBXAGGSA-N -1 1 384.469 1.929 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cccs2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576193340 950298136 /nfs/dbraw/zinc/29/81/36/950298136.db2.gz SZFXISYRYKXFGE-VXGBXAGGSA-N -1 1 384.469 1.929 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cccn2C)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576193524 950303884 /nfs/dbraw/zinc/30/38/84/950303884.db2.gz VSZVCLUCOZJDCP-OLZOCXBDSA-N -1 1 381.444 1.206 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cccn2C)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576193524 950303904 /nfs/dbraw/zinc/30/39/04/950303904.db2.gz VSZVCLUCOZJDCP-OLZOCXBDSA-N -1 1 381.444 1.206 20 0 GDADMM C[C@H]1CCN(C(=O)c2nccs2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576194462 950342899 /nfs/dbraw/zinc/34/28/99/950342899.db2.gz ZBPLVPWKJYXDSH-QWRGUYRKSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H]1CCN(C(=O)c2nccs2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576194462 950342919 /nfs/dbraw/zinc/34/29/19/950342919.db2.gz ZBPLVPWKJYXDSH-QWRGUYRKSA-N -1 1 385.457 1.324 20 0 GDADMM CC1(C(=O)NC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CCC2(F)F)CCC1 ZINC001575595278 950351095 /nfs/dbraw/zinc/35/10/95/950351095.db2.gz NXZJNECZHCXGHQ-LLVKDONJSA-N -1 1 392.414 1.425 20 0 GDADMM CC1(C(=O)NC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CCC2(F)F)CCC1 ZINC001575595278 950351118 /nfs/dbraw/zinc/35/11/18/950351118.db2.gz NXZJNECZHCXGHQ-LLVKDONJSA-N -1 1 392.414 1.425 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc(C(C)(C)C)n[nH]1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574744983 950368999 /nfs/dbraw/zinc/36/89/99/950368999.db2.gz DQIIYZHVKFSDMO-JTQLQIEISA-N -1 1 384.448 1.250 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc(C(C)(C)C)n[nH]1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574744983 950369020 /nfs/dbraw/zinc/36/90/20/950369020.db2.gz DQIIYZHVKFSDMO-JTQLQIEISA-N -1 1 384.448 1.250 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1)c1ccccc1 ZINC001574502441 950382051 /nfs/dbraw/zinc/38/20/51/950382051.db2.gz NPPAUNRVMUKJIT-HOCLYGCPSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1)c1ccccc1 ZINC001574502441 950382072 /nfs/dbraw/zinc/38/20/72/950382072.db2.gz NPPAUNRVMUKJIT-HOCLYGCPSA-N -1 1 392.467 1.936 20 0 GDADMM CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001573860313 950416429 /nfs/dbraw/zinc/41/64/29/950416429.db2.gz FQIWXUUJKISOMC-ZDUSSCGKSA-N -1 1 385.428 1.491 20 0 GDADMM CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001573860313 950416436 /nfs/dbraw/zinc/41/64/36/950416436.db2.gz FQIWXUUJKISOMC-ZDUSSCGKSA-N -1 1 385.428 1.491 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)n1cccc1 ZINC001574504021 950423234 /nfs/dbraw/zinc/42/32/34/950423234.db2.gz ZIAWXZAKIVJLDW-ZIAGYGMSSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)n1cccc1 ZINC001574504021 950423248 /nfs/dbraw/zinc/42/32/48/950423248.db2.gz ZIAWXZAKIVJLDW-ZIAGYGMSSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)[C@H]1CCCO1 ZINC001574506467 950436083 /nfs/dbraw/zinc/43/60/83/950436083.db2.gz DXBKVYPIICIRKV-PWNZVWSESA-N -1 1 386.460 1.169 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)[C@H]1CCCO1 ZINC001574506467 950436098 /nfs/dbraw/zinc/43/60/98/950436098.db2.gz DXBKVYPIICIRKV-PWNZVWSESA-N -1 1 386.460 1.169 20 0 GDADMM CC(C)CC1(C(=O)NC[C@@H](O)CNc2nccnc2-c2nnn[n-]2)CCCC1 ZINC001574165538 950449475 /nfs/dbraw/zinc/44/94/75/950449475.db2.gz GQCULVCVLCEUQJ-ZDUSSCGKSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)CC1(C(=O)NC[C@@H](O)CNc2nccnc2-c2nn[n-]n2)CCCC1 ZINC001574165538 950449493 /nfs/dbraw/zinc/44/94/93/950449493.db2.gz GQCULVCVLCEUQJ-ZDUSSCGKSA-N -1 1 388.476 1.152 20 0 GDADMM C[C@]1(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CCc2ccccc21 ZINC001575605347 950459161 /nfs/dbraw/zinc/45/91/61/950459161.db2.gz HQZHRNBCOKGLHK-XOBRGWDASA-N -1 1 390.451 1.256 20 0 GDADMM C[C@]1(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CCc2ccccc21 ZINC001575605347 950459176 /nfs/dbraw/zinc/45/91/76/950459176.db2.gz HQZHRNBCOKGLHK-XOBRGWDASA-N -1 1 390.451 1.256 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C[C@H](C)c1cccc(F)c1 ZINC001574508543 950481368 /nfs/dbraw/zinc/48/13/68/950481368.db2.gz PESJSWVKLDGWHS-RYUDHWBXSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@H](C)c1cccc(F)c1 ZINC001574508543 950481382 /nfs/dbraw/zinc/48/13/82/950481382.db2.gz PESJSWVKLDGWHS-RYUDHWBXSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@@]1(C(=O)N[C@H]2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)CC2)CCCOC1 ZINC001575605757 950482873 /nfs/dbraw/zinc/48/28/73/950482873.db2.gz SGEAEMXUECAQDD-SNUQEOBHSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@]1(C(=O)N[C@H]2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)CC2)CCCOC1 ZINC001575605757 950482881 /nfs/dbraw/zinc/48/28/81/950482881.db2.gz SGEAEMXUECAQDD-SNUQEOBHSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](CC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)NC(N)=O ZINC001574508896 950491167 /nfs/dbraw/zinc/49/11/67/950491167.db2.gz PZWMVHRUYLSUSJ-JTQLQIEISA-N -1 1 385.453 1.658 20 0 GDADMM C[C@H](CC(=O)NCCN(c1cnc(-c2nnn[n-]2)cn1)C1CC1)C(F)(F)F ZINC001574509008 950495752 /nfs/dbraw/zinc/49/57/52/950495752.db2.gz NVJUYGQTKLVNHI-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](CC(=O)NCCN(c1cnc(-c2nn[n-]n2)cn1)C1CC1)C(F)(F)F ZINC001574509008 950495767 /nfs/dbraw/zinc/49/57/67/950495767.db2.gz NVJUYGQTKLVNHI-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@]1(C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CCc2ccccc21 ZINC001575607020 950498619 /nfs/dbraw/zinc/49/86/19/950498619.db2.gz FKJCJFXJIAWLOM-LAPQFRIASA-N -1 1 390.451 1.620 20 0 GDADMM C[C@@]1(C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CCc2ccccc21 ZINC001575607020 950498628 /nfs/dbraw/zinc/49/86/28/950498628.db2.gz FKJCJFXJIAWLOM-LAPQFRIASA-N -1 1 390.451 1.620 20 0 GDADMM C[C@H](CC(=O)N[C@@H](C)CNc1nccnc1-c1nnn[n-]1)c1cccc(F)c1 ZINC001574509175 950501367 /nfs/dbraw/zinc/50/13/67/950501367.db2.gz RRMCQVVYPGPOMZ-NEPJUHHUSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H](CC(=O)N[C@@H](C)CNc1nccnc1-c1nn[n-]n1)c1cccc(F)c1 ZINC001574509175 950501381 /nfs/dbraw/zinc/50/13/81/950501381.db2.gz RRMCQVVYPGPOMZ-NEPJUHHUSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001575915108 950503776 /nfs/dbraw/zinc/50/37/76/950503776.db2.gz LVYCBGFLXZVUFY-PRDIBSGMSA-N -1 1 380.456 1.350 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001575915108 950503801 /nfs/dbraw/zinc/50/38/01/950503801.db2.gz LVYCBGFLXZVUFY-PRDIBSGMSA-N -1 1 380.456 1.350 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc(C(F)F)nc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574752928 950504309 /nfs/dbraw/zinc/50/43/09/950504309.db2.gz GIZDMUBINDUILR-VIFPVBQESA-N -1 1 389.370 1.562 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc(C(F)F)nc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574752928 950504317 /nfs/dbraw/zinc/50/43/17/950504317.db2.gz GIZDMUBINDUILR-VIFPVBQESA-N -1 1 389.370 1.562 20 0 GDADMM CC(C)(C)OCC(=O)N1CCC(CCNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573866567 950506926 /nfs/dbraw/zinc/50/69/26/950506926.db2.gz HXQZDSCYOJASDP-UHFFFAOYSA-N -1 1 388.476 1.512 20 0 GDADMM CC(C)(C)OCC(=O)N1CCC(CCNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573866567 950506945 /nfs/dbraw/zinc/50/69/45/950506945.db2.gz HXQZDSCYOJASDP-UHFFFAOYSA-N -1 1 388.476 1.512 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001575915112 950507183 /nfs/dbraw/zinc/50/71/83/950507183.db2.gz LVYCBGFLXZVUFY-YEJMPBJOSA-N -1 1 380.456 1.350 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001575915112 950507204 /nfs/dbraw/zinc/50/72/04/950507204.db2.gz LVYCBGFLXZVUFY-YEJMPBJOSA-N -1 1 380.456 1.350 20 0 GDADMM C[C@H](CC(=O)NCC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)C1CC1 ZINC001574509342 950509321 /nfs/dbraw/zinc/50/93/21/950509321.db2.gz RBVJZGCZFUJACQ-UMVBOHGHSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@H](CC(=O)NCC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)C1CC1 ZINC001574509342 950509335 /nfs/dbraw/zinc/50/93/35/950509335.db2.gz RBVJZGCZFUJACQ-UMVBOHGHSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)CC1(C(=O)N[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)CCC1 ZINC001574168316 950514505 /nfs/dbraw/zinc/51/45/05/950514505.db2.gz SUICOQJGDSTRFB-ZIAGYGMSSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)CC1(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)CCC1 ZINC001574168316 950514523 /nfs/dbraw/zinc/51/45/23/950514523.db2.gz SUICOQJGDSTRFB-ZIAGYGMSSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)OCC(=O)N1CC[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573866938 950517866 /nfs/dbraw/zinc/51/78/66/950517866.db2.gz OBSYGFCASZCEGX-QMMMGPOBSA-N -1 1 385.881 1.805 20 0 GDADMM CC(C)(C)OCC(=O)N1CC[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573866938 950517883 /nfs/dbraw/zinc/51/78/83/950517883.db2.gz OBSYGFCASZCEGX-QMMMGPOBSA-N -1 1 385.881 1.805 20 0 GDADMM CC(C)c1ccc(C(=O)N(C)C[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)cn1 ZINC001574753542 950530787 /nfs/dbraw/zinc/53/07/87/950530787.db2.gz OWAZJZZTCJDTSX-LBPRGKRZSA-N -1 1 381.444 1.748 20 0 GDADMM CC(C)c1ccc(C(=O)N(C)C[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)cn1 ZINC001574753542 950530804 /nfs/dbraw/zinc/53/08/04/950530804.db2.gz OWAZJZZTCJDTSX-LBPRGKRZSA-N -1 1 381.444 1.748 20 0 GDADMM C[C@H](CC(=O)NCC[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1)c1ccncc1 ZINC001574509751 950531870 /nfs/dbraw/zinc/53/18/70/950531870.db2.gz WVCWEGDYYQIBQK-OLZOCXBDSA-N -1 1 381.444 1.552 20 0 GDADMM C[C@H](CC(=O)NCC[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1)c1ccncc1 ZINC001574509751 950531883 /nfs/dbraw/zinc/53/18/83/950531883.db2.gz WVCWEGDYYQIBQK-OLZOCXBDSA-N -1 1 381.444 1.552 20 0 GDADMM C[C@@]1(C(F)(F)F)CN(C(=O)NCc2ccc(-c3nn[n-]n3)s2)CCO1 ZINC001575614570 950537006 /nfs/dbraw/zinc/53/70/06/950537006.db2.gz INNAHZYMGGCNMA-LBPRGKRZSA-N -1 1 376.364 1.791 20 0 GDADMM CC(C)(C)OCC(=O)NC1CC2(C1)CC(Nc1cnc(-c3nnn[n-]3)cn1)C2 ZINC001573868484 950540830 /nfs/dbraw/zinc/54/08/30/950540830.db2.gz CJXCOIHYBKCYLN-UHFFFAOYSA-N -1 1 386.460 1.311 20 0 GDADMM CC(C)(C)OCC(=O)NC1CC2(C1)CC(Nc1cnc(-c3nn[n-]n3)cn1)C2 ZINC001573868484 950540847 /nfs/dbraw/zinc/54/08/47/950540847.db2.gz CJXCOIHYBKCYLN-UHFFFAOYSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCC1CCOCC1 ZINC001575917170 950558027 /nfs/dbraw/zinc/55/80/27/950558027.db2.gz UYGYGRHFCOWJDM-TZMCWYRMSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCC1CCOCC1 ZINC001575917170 950558051 /nfs/dbraw/zinc/55/80/51/950558051.db2.gz UYGYGRHFCOWJDM-TZMCWYRMSA-N -1 1 386.460 1.265 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)CC1(C)C ZINC001573869159 950558209 /nfs/dbraw/zinc/55/82/09/950558209.db2.gz LPORQRGQEJAQTM-GFCCVEGCSA-N -1 1 388.476 1.193 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)CC1(C)C ZINC001573869159 950558234 /nfs/dbraw/zinc/55/82/34/950558234.db2.gz LPORQRGQEJAQTM-GFCCVEGCSA-N -1 1 388.476 1.193 20 0 GDADMM CC1(C)C(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nnn[n-]3)nn2)C1(C)C ZINC001575615606 950568441 /nfs/dbraw/zinc/56/84/41/950568441.db2.gz CVIIOSOXGOTWCT-RTXFEEFZSA-N -1 1 382.472 1.565 20 0 GDADMM CC1(C)C(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nn2)C1(C)C ZINC001575615606 950568459 /nfs/dbraw/zinc/56/84/59/950568459.db2.gz CVIIOSOXGOTWCT-RTXFEEFZSA-N -1 1 382.472 1.565 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575615598 950570784 /nfs/dbraw/zinc/57/07/84/950570784.db2.gz CSDABZWJHSBAJR-GFCCVEGCSA-N -1 1 384.488 1.554 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)C1Cc2ccccc2C1 ZINC001575917407 950571481 /nfs/dbraw/zinc/57/14/81/950571481.db2.gz XJIOPWGMMJQRNJ-MLGOLLRUSA-N -1 1 390.451 1.473 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)C1Cc2ccccc2C1 ZINC001575917407 950571496 /nfs/dbraw/zinc/57/14/96/950571496.db2.gz XJIOPWGMMJQRNJ-MLGOLLRUSA-N -1 1 390.451 1.473 20 0 GDADMM CC1(C)C(C(=O)NCC[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1(C)C ZINC001575615816 950573982 /nfs/dbraw/zinc/57/39/82/950573982.db2.gz IKLMZVQQBTVCQN-LBPRGKRZSA-N -1 1 384.488 1.672 20 0 GDADMM CC1(C)C(C(=O)NCC[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1(C)C ZINC001575615816 950574021 /nfs/dbraw/zinc/57/40/21/950574021.db2.gz IKLMZVQQBTVCQN-LBPRGKRZSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)(C)OCC(=O)NC[C@H]1CCCCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001573869791 950575484 /nfs/dbraw/zinc/57/54/84/950575484.db2.gz CZZQCNGRPCFIDW-CYBMUJFWSA-N -1 1 388.476 1.337 20 0 GDADMM CC(C)(C)OCC(=O)NC[C@H]1CCCCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001573869791 950575499 /nfs/dbraw/zinc/57/54/99/950575499.db2.gz CZZQCNGRPCFIDW-CYBMUJFWSA-N -1 1 388.476 1.337 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575615767 950577742 /nfs/dbraw/zinc/57/77/42/950577742.db2.gz GTSYRUMQDZAIPN-GFCCVEGCSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575615767 950577763 /nfs/dbraw/zinc/57/77/63/950577763.db2.gz GTSYRUMQDZAIPN-GFCCVEGCSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575615875 950582347 /nfs/dbraw/zinc/58/23/47/950582347.db2.gz JQWTUTKMYFJWBD-LBPRGKRZSA-N -1 1 384.488 1.411 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575616372 950585854 /nfs/dbraw/zinc/58/58/54/950585854.db2.gz OPTADHBSTYUOOU-GFCCVEGCSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575616372 950585859 /nfs/dbraw/zinc/58/58/59/950585859.db2.gz OPTADHBSTYUOOU-GFCCVEGCSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C)c1ccco1 ZINC001574513177 950593906 /nfs/dbraw/zinc/59/39/06/950593906.db2.gz IWVXORKDCBELQC-XQQFMLRXSA-N -1 1 382.428 1.527 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C)c1ccco1 ZINC001574513177 950593922 /nfs/dbraw/zinc/59/39/22/950593922.db2.gz IWVXORKDCBELQC-XQQFMLRXSA-N -1 1 382.428 1.527 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1cccs1 ZINC001575919364 950608513 /nfs/dbraw/zinc/60/85/13/950608513.db2.gz HAPNOXNDHBCURI-YPMHNXCESA-N -1 1 384.469 1.174 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@H](C)c1cccc(F)c1 ZINC001574513512 950608761 /nfs/dbraw/zinc/60/87/61/950608761.db2.gz RRMCQVVYPGPOMZ-NWDGAFQWSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@H](C)c1cccc(F)c1 ZINC001574513512 950608771 /nfs/dbraw/zinc/60/87/71/950608771.db2.gz RRMCQVVYPGPOMZ-NWDGAFQWSA-N -1 1 384.419 1.906 20 0 GDADMM CC1(C)C(C(=O)N2CCC(CNc3cncc(-c4nnn[n-]4)n3)CC2)C1(C)C ZINC001575618584 950614065 /nfs/dbraw/zinc/61/40/65/950614065.db2.gz KQGYTTXZPHNHSA-UHFFFAOYSA-N -1 1 384.488 1.989 20 0 GDADMM CC1(C)C(C(=O)N2CCC(CNc3cncc(-c4nn[n-]n4)n3)CC2)C1(C)C ZINC001575618584 950614088 /nfs/dbraw/zinc/61/40/88/950614088.db2.gz KQGYTTXZPHNHSA-UHFFFAOYSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)CCC(=O)N[C@@H]1CC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C1 ZINC001574174020 950618619 /nfs/dbraw/zinc/61/86/19/950618619.db2.gz DHDXATAXRGHIOT-SOUVJXGZSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)CCC(=O)N[C@@H]1CC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C1 ZINC001574174020 950618636 /nfs/dbraw/zinc/61/86/36/950618636.db2.gz DHDXATAXRGHIOT-SOUVJXGZSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C(C(=O)N2CC[C@H](CCNc3ccc(-c4nnn[n-]4)nn3)C2)C1(C)C ZINC001575619750 950621119 /nfs/dbraw/zinc/62/11/19/950621119.db2.gz PJGBFSLCBGTDDS-LBPRGKRZSA-N -1 1 384.488 1.989 20 0 GDADMM CC1(C)C(C(=O)N2CC[C@H](CCNc3ccc(-c4nn[n-]n4)nn3)C2)C1(C)C ZINC001575619750 950621134 /nfs/dbraw/zinc/62/11/34/950621134.db2.gz PJGBFSLCBGTDDS-LBPRGKRZSA-N -1 1 384.488 1.989 20 0 GDADMM CC1(C)C(C(=O)N[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1(C)C ZINC001575619787 950621529 /nfs/dbraw/zinc/62/15/29/950621529.db2.gz PRWHONXBERJDKH-GFCCVEGCSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C(C(=O)N[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)CC2)C1(C)C ZINC001575619787 950621537 /nfs/dbraw/zinc/62/15/37/950621537.db2.gz PRWHONXBERJDKH-GFCCVEGCSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C(C(=O)N[C@@H]2CCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)C1(C)C ZINC001575620239 950626294 /nfs/dbraw/zinc/62/62/94/950626294.db2.gz UQAHGQUXOYOKLS-VXGBXAGGSA-N -1 1 384.488 1.600 20 0 GDADMM CC1(C)C(C(=O)N2CC[C@H](CCNc3cnc(-c4nnn[n-]4)cn3)C2)C1(C)C ZINC001575620652 950632562 /nfs/dbraw/zinc/63/25/62/950632562.db2.gz YECGTZBACDXRTM-LBPRGKRZSA-N -1 1 384.488 1.989 20 0 GDADMM CC1(C)C(C(=O)N2CC[C@H](CCNc3cnc(-c4nn[n-]n4)cn3)C2)C1(C)C ZINC001575620652 950632568 /nfs/dbraw/zinc/63/25/68/950632568.db2.gz YECGTZBACDXRTM-LBPRGKRZSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cccc(F)c1F ZINC001575922365 950645104 /nfs/dbraw/zinc/64/51/04/950645104.db2.gz PGURPSFFSCWVGQ-BXKDBHETSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cccc(F)c1F ZINC001575922365 950645118 /nfs/dbraw/zinc/64/51/18/950645118.db2.gz PGURPSFFSCWVGQ-BXKDBHETSA-N -1 1 386.366 1.650 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1C[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573873576 950648173 /nfs/dbraw/zinc/64/81/73/950648173.db2.gz ROSUMEZJKQTPFA-OCAPTIKFSA-N -1 1 385.881 1.851 20 0 GDADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1coc2ccccc12 ZINC001575924316 950672290 /nfs/dbraw/zinc/67/22/90/950672290.db2.gz SBTRODPOKPDXNS-BXUZGUMPSA-N -1 1 390.407 1.540 20 0 GDADMM CC1(C)C2CCC1(C(=O)N1CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C1)CC2 ZINC001575624787 950676216 /nfs/dbraw/zinc/67/62/16/950676216.db2.gz OHDNMUBPVDPERO-MLZJXEJWSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(C)C2CCC1(C(=O)N1CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C1)CC2 ZINC001575624787 950676242 /nfs/dbraw/zinc/67/62/42/950676242.db2.gz OHDNMUBPVDPERO-MLZJXEJWSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(C)CC(C(=O)N2C[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@@]3(C)C2)C1 ZINC001575625323 950682452 /nfs/dbraw/zinc/68/24/52/950682452.db2.gz RKESJJMBBXHFLH-YJYMSZOUSA-N -1 1 382.472 1.378 20 0 GDADMM CC1(C)CC(C(=O)N2C[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@@]3(C)C2)C1 ZINC001575625323 950682464 /nfs/dbraw/zinc/68/24/64/950682464.db2.gz RKESJJMBBXHFLH-YJYMSZOUSA-N -1 1 382.472 1.378 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NCC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573878090 950699423 /nfs/dbraw/zinc/69/94/23/950699423.db2.gz KAMDDLPKUXXHPM-BFHYXJOUSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NCC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573878090 950699440 /nfs/dbraw/zinc/69/94/40/950699440.db2.gz KAMDDLPKUXXHPM-BFHYXJOUSA-N -1 1 384.488 1.672 20 0 GDADMM CC1(C)CC(C(=O)N[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C2CCCC2)C1 ZINC001575625866 950700359 /nfs/dbraw/zinc/70/03/59/950700359.db2.gz ZDCJDIBEKGISQJ-AWEZNQCLSA-N -1 1 384.488 1.602 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576215741 950708008 /nfs/dbraw/zinc/70/80/08/950708008.db2.gz BKFLEXWXRRLZFF-ZJUUUORDSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576215741 950708026 /nfs/dbraw/zinc/70/80/26/950708026.db2.gz BKFLEXWXRRLZFF-ZJUUUORDSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)COc1ccccc1 ZINC001575926418 950711551 /nfs/dbraw/zinc/71/15/51/950711551.db2.gz JWPFGTVFSXKPSN-JSGCOSHPSA-N -1 1 380.412 1.137 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)COc1ccccc1 ZINC001575926418 950711564 /nfs/dbraw/zinc/71/15/64/950711564.db2.gz JWPFGTVFSXKPSN-JSGCOSHPSA-N -1 1 380.412 1.137 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ncc(Cl)s1 ZINC001575926524 950713263 /nfs/dbraw/zinc/71/32/63/950713263.db2.gz XMTLOBCUMPWHLH-JGVFFNPUSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ncc(Cl)s1 ZINC001575926524 950713283 /nfs/dbraw/zinc/71/32/83/950713283.db2.gz XMTLOBCUMPWHLH-JGVFFNPUSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576216245 950729497 /nfs/dbraw/zinc/72/94/97/950729497.db2.gz DEFGALAKKHDVAK-VHSXEESVSA-N -1 1 378.387 1.208 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576216245 950729504 /nfs/dbraw/zinc/72/95/04/950729504.db2.gz DEFGALAKKHDVAK-VHSXEESVSA-N -1 1 378.387 1.208 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCCn1cccc1 ZINC001575927637 950746573 /nfs/dbraw/zinc/74/65/73/950746573.db2.gz REQGNWKJCPHDDX-KBPBESRZSA-N -1 1 381.444 1.340 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCCn1cccc1 ZINC001575927637 950746590 /nfs/dbraw/zinc/74/65/90/950746590.db2.gz REQGNWKJCPHDDX-KBPBESRZSA-N -1 1 381.444 1.340 20 0 GDADMM CC1(C)CC(C(=O)NC[C@@]2(C)CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001575629925 950746859 /nfs/dbraw/zinc/74/68/59/950746859.db2.gz USHRIDSJCYAPOM-LJQANCHMSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C)CC(C(=O)NC[C@@]2(C)CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001575629925 950746873 /nfs/dbraw/zinc/74/68/73/950746873.db2.gz USHRIDSJCYAPOM-LJQANCHMSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C)c1cc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)no1 ZINC001573880266 950747244 /nfs/dbraw/zinc/74/72/44/950747244.db2.gz XAAIDAWTUFORTO-AOOOYVTPSA-N -1 1 383.416 1.315 20 0 GDADMM CC(C)(C)c1cc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)no1 ZINC001573880266 950747258 /nfs/dbraw/zinc/74/72/58/950747258.db2.gz XAAIDAWTUFORTO-AOOOYVTPSA-N -1 1 383.416 1.315 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CCCC2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576217057 950756345 /nfs/dbraw/zinc/75/63/45/950756345.db2.gz GLQICZQJFUIDHQ-PWSUYJOCSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CCCC2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576217057 950756362 /nfs/dbraw/zinc/75/63/62/950756362.db2.gz GLQICZQJFUIDHQ-PWSUYJOCSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@H](CN(C)C(=O)c1cnn(C2CCC2)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001574764816 950765313 /nfs/dbraw/zinc/76/53/13/950765313.db2.gz ZAFSZZFXXHHGNT-LLVKDONJSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@H](CN(C)C(=O)c1cnn(C2CCC2)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001574764816 950765326 /nfs/dbraw/zinc/76/53/26/950765326.db2.gz ZAFSZZFXXHHGNT-LLVKDONJSA-N -1 1 382.432 1.151 20 0 GDADMM CC1(C)CC(CC(=O)N2CC[C@@](C)(CNc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001575630779 950771284 /nfs/dbraw/zinc/77/12/84/950771284.db2.gz IGANEEWOWSRIRZ-IBGZPJMESA-N -1 1 384.488 1.555 20 0 GDADMM C[C@H](CN(C)C(=O)c1ncoc1C(C)(C)C)Nc1nccnc1-c1nnn[n-]1 ZINC001574765172 950776618 /nfs/dbraw/zinc/77/66/18/950776618.db2.gz AEHIKEHUSJYUFH-SNVBAGLBSA-N -1 1 385.432 1.515 20 0 GDADMM C[C@H](CN(C)C(=O)c1ncoc1C(C)(C)C)Nc1nccnc1-c1nn[n-]n1 ZINC001574765172 950776643 /nfs/dbraw/zinc/77/66/43/950776643.db2.gz AEHIKEHUSJYUFH-SNVBAGLBSA-N -1 1 385.432 1.515 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C(C)(F)F)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576218792 950794450 /nfs/dbraw/zinc/79/44/50/950794450.db2.gz RPABEUZJPWQUKY-ZJUUUORDSA-N -1 1 380.403 1.019 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cc(C2CC2)no1 ZINC001575930216 950796986 /nfs/dbraw/zinc/79/69/86/950796986.db2.gz FBNYXTDVJSMQLI-GXSJLCMTSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(C2CC2)no1 ZINC001575930216 950796998 /nfs/dbraw/zinc/79/69/98/950796998.db2.gz FBNYXTDVJSMQLI-GXSJLCMTSA-N -1 1 381.400 1.237 20 0 GDADMM CC1(C)CC(CC(=O)NC2(C)CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001575632487 950799202 /nfs/dbraw/zinc/79/92/02/950799202.db2.gz JMWGXIVDQFLZHH-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CN(C)C(=O)c1scnc1C1CC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574765903 950802458 /nfs/dbraw/zinc/80/24/58/950802458.db2.gz FWAPXDXQJSSTKL-VIFPVBQESA-N -1 1 385.457 1.563 20 0 GDADMM C[C@@H](CN(C)C(=O)c1scnc1C1CC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574765903 950802480 /nfs/dbraw/zinc/80/24/80/950802480.db2.gz FWAPXDXQJSSTKL-VIFPVBQESA-N -1 1 385.457 1.563 20 0 GDADMM CC1(C)CC(CC(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001575634052 950823415 /nfs/dbraw/zinc/82/34/15/950823415.db2.gz YOCOPWOMTKXKGD-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CC(CC(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001575634052 950823439 /nfs/dbraw/zinc/82/34/39/950823439.db2.gz YOCOPWOMTKXKGD-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CC(CC(=O)NC[C@@H]2CCCCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575633750 950823543 /nfs/dbraw/zinc/82/35/43/950823543.db2.gz VRMHGTMZRGKTJH-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CC(CC(=O)NC[C@@H]2CCCCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575633750 950823565 /nfs/dbraw/zinc/82/35/65/950823565.db2.gz VRMHGTMZRGKTJH-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCc1nccs1 ZINC001575932292 950828889 /nfs/dbraw/zinc/82/88/89/950828889.db2.gz LQJXKXANMIEISH-GHMZBOCLSA-N -1 1 385.457 1.147 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1nccs1 ZINC001575932292 950828913 /nfs/dbraw/zinc/82/89/13/950828913.db2.gz LQJXKXANMIEISH-GHMZBOCLSA-N -1 1 385.457 1.147 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccc2nccn2c1 ZINC001575932711 950828962 /nfs/dbraw/zinc/82/89/62/950828962.db2.gz LVRUUEZZTARBPE-YPMHNXCESA-N -1 1 390.411 1.020 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc2nccn2c1 ZINC001575932711 950828985 /nfs/dbraw/zinc/82/89/85/950828985.db2.gz LVRUUEZZTARBPE-YPMHNXCESA-N -1 1 390.411 1.020 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)CC(C)(C)C1 ZINC001575638481 950834586 /nfs/dbraw/zinc/83/45/86/950834586.db2.gz DTLKPKZBDQMCTA-CHWSQXEVSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)CC(C)(C)C1 ZINC001575638481 950834607 /nfs/dbraw/zinc/83/46/07/950834607.db2.gz DTLKPKZBDQMCTA-CHWSQXEVSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C[C@@H](NC(=O)C2=CCCC2)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575638511 950838443 /nfs/dbraw/zinc/83/84/43/950838443.db2.gz FTFCJUMWSBOTCB-AWEZNQCLSA-N -1 1 382.472 1.878 20 0 GDADMM CC1(C)C[C@@H](NC(=O)C2=CCCC2)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575638511 950838467 /nfs/dbraw/zinc/83/84/67/950838467.db2.gz FTFCJUMWSBOTCB-AWEZNQCLSA-N -1 1 382.472 1.878 20 0 GDADMM CC1(C)CC(CC(=O)N[C@]23CCC[C@H]2CN(c2nccnc2-c2nnn[n-]2)C3)C1 ZINC001575638532 950840120 /nfs/dbraw/zinc/84/01/20/950840120.db2.gz GVAMYHBZBGUTBL-XOBRGWDASA-N -1 1 396.499 1.958 20 0 GDADMM CC1(C)CC(CC(=O)N[C@]23CCC[C@H]2CN(c2nccnc2-c2nn[n-]n2)C3)C1 ZINC001575638532 950840143 /nfs/dbraw/zinc/84/01/43/950840143.db2.gz GVAMYHBZBGUTBL-XOBRGWDASA-N -1 1 396.499 1.958 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C2CC2)CC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576221221 950845093 /nfs/dbraw/zinc/84/50/93/950845093.db2.gz VBSMFRYQBFUCCX-OLZOCXBDSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C2CC2)CC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576221221 950845109 /nfs/dbraw/zinc/84/51/09/950845109.db2.gz VBSMFRYQBFUCCX-OLZOCXBDSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1coc(C2CC2)n1 ZINC001575934114 950853209 /nfs/dbraw/zinc/85/32/09/950853209.db2.gz QIIBEOOZRSSAIU-GXSJLCMTSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1coc(C2CC2)n1 ZINC001575934114 950853248 /nfs/dbraw/zinc/85/32/48/950853248.db2.gz QIIBEOOZRSSAIU-GXSJLCMTSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)c2ccccc2)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576221956 950861793 /nfs/dbraw/zinc/86/17/93/950861793.db2.gz WTMPTCXHBCVOPO-CJNGLKHVSA-N -1 1 392.467 1.893 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)c2ccccc2)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576221956 950861812 /nfs/dbraw/zinc/86/18/12/950861812.db2.gz WTMPTCXHBCVOPO-CJNGLKHVSA-N -1 1 392.467 1.893 20 0 GDADMM CC(C)CCCC(=O)NC[C@H](CO)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574189172 950865825 /nfs/dbraw/zinc/86/58/25/950865825.db2.gz DIIABBCSDWHRCT-SECBINFHSA-N -1 1 387.897 1.692 20 0 GDADMM CC(C)CCCC(=O)NC[C@H](CO)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574189172 950865841 /nfs/dbraw/zinc/86/58/41/950865841.db2.gz DIIABBCSDWHRCT-SECBINFHSA-N -1 1 387.897 1.692 20 0 GDADMM CC(C)(CC(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573893435 950884996 /nfs/dbraw/zinc/88/49/96/950884996.db2.gz FZNIIKRCUSMVGC-CQSZACIVSA-N -1 1 384.488 1.698 20 0 GDADMM C[C@@H](CN(C)C(=O)c1scnc1Cl)Nc1nccnc1-c1nnn[n-]1 ZINC001574768282 950885337 /nfs/dbraw/zinc/88/53/37/950885337.db2.gz SUHKPBQMWTTXKL-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CN(C)C(=O)c1scnc1Cl)Nc1nccnc1-c1nn[n-]n1 ZINC001574768282 950885355 /nfs/dbraw/zinc/88/53/55/950885355.db2.gz SUHKPBQMWTTXKL-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cccc2cc[nH]c21 ZINC001575935706 950887744 /nfs/dbraw/zinc/88/77/44/950887744.db2.gz AMIULGCHQDGZIY-FZMZJTMJSA-N -1 1 389.423 1.853 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cccc2cc[nH]c21 ZINC001575935706 950887757 /nfs/dbraw/zinc/88/77/57/950887757.db2.gz AMIULGCHQDGZIY-FZMZJTMJSA-N -1 1 389.423 1.853 20 0 GDADMM CC1(C)C[C@H](NC(=O)c2cnco2)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575640411 950891129 /nfs/dbraw/zinc/89/11/29/950891129.db2.gz HAZFJIVOBMFFON-LLVKDONJSA-N -1 1 383.416 1.070 20 0 GDADMM CC1(C)C[C@H](NC(=O)c2cnco2)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575640411 950891144 /nfs/dbraw/zinc/89/11/44/950891144.db2.gz HAZFJIVOBMFFON-LLVKDONJSA-N -1 1 383.416 1.070 20 0 GDADMM C[C@@H]1CN(C(=O)C2(CF)CCC2)CC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576226836 950892259 /nfs/dbraw/zinc/89/22/59/950892259.db2.gz AZZAJMUWEDDDFF-OLZOCXBDSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@@H]1CN(C(=O)C2(CF)CCC2)CC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576226836 950892276 /nfs/dbraw/zinc/89/22/76/950892276.db2.gz AZZAJMUWEDDDFF-OLZOCXBDSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@H]1CN(C(=O)C2CC3(CC3)C2)CC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576226909 950894254 /nfs/dbraw/zinc/89/42/54/950894254.db2.gz CXASWSGYJFUGHZ-STQMWFEESA-N -1 1 382.472 1.743 20 0 GDADMM C[C@H]1CN(C(=O)C2CC3(CC3)C2)CC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576226909 950894272 /nfs/dbraw/zinc/89/42/72/950894272.db2.gz CXASWSGYJFUGHZ-STQMWFEESA-N -1 1 382.472 1.743 20 0 GDADMM C[C@@H]1CC(=O)CC[C@H]1C(=O)Nc1c(-c2nn[n-]n2)nnn1Cc1ccccc1 ZINC001575936902 950931100 /nfs/dbraw/zinc/93/11/00/950931100.db2.gz AOOFAPKXFMQVSR-BXUZGUMPSA-N -1 1 380.412 1.450 20 0 GDADMM CC(C)(CC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)CC(F)F ZINC001573896223 950945870 /nfs/dbraw/zinc/94/58/70/950945870.db2.gz GWLJNYJNEORAQE-JTQLQIEISA-N -1 1 380.403 1.423 20 0 GDADMM CC(C)(CC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)CC(F)F ZINC001573896223 950945884 /nfs/dbraw/zinc/94/58/84/950945884.db2.gz GWLJNYJNEORAQE-JTQLQIEISA-N -1 1 380.403 1.423 20 0 GDADMM CC(C)(CC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CC1)CC(F)F ZINC001573896900 950950421 /nfs/dbraw/zinc/95/04/21/950950421.db2.gz LJAPXKLSMOJOFL-UHFFFAOYSA-N -1 1 380.403 1.211 20 0 GDADMM CC(C)(CC(=O)N1CC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)C1CC1 ZINC001573897254 950958429 /nfs/dbraw/zinc/95/84/29/950958429.db2.gz NTQWCXBYBRUCKO-GXTWGEPZSA-N -1 1 382.472 1.520 20 0 GDADMM CC1(CC(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)CC(C)(C)C2)CC1 ZINC001575643125 950962633 /nfs/dbraw/zinc/96/26/33/950962633.db2.gz YDQJUUIIBBRYMW-ZDUSSCGKSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N1CCC2(C1)CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001575643522 950970258 /nfs/dbraw/zinc/97/02/58/950970258.db2.gz MMZOKIGYBCCNMT-CYBMUJFWSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N1CCC2(C1)CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001575643522 950970282 /nfs/dbraw/zinc/97/02/82/950970282.db2.gz MMZOKIGYBCCNMT-CYBMUJFWSA-N -1 1 382.472 1.522 20 0 GDADMM CC(C)(CC(=O)N1CC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)C1CC1 ZINC001573898324 950975600 /nfs/dbraw/zinc/97/56/00/950975600.db2.gz YXEGWRBBBRDNGG-GXTWGEPZSA-N -1 1 382.472 1.520 20 0 GDADMM CC(C)(CC(=O)N1CC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)C1CC1 ZINC001573898324 950975620 /nfs/dbraw/zinc/97/56/20/950975620.db2.gz YXEGWRBBBRDNGG-GXTWGEPZSA-N -1 1 382.472 1.520 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573900219 950998447 /nfs/dbraw/zinc/99/84/47/950998447.db2.gz VZWYMVKWHDIQRH-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573900219 950998458 /nfs/dbraw/zinc/99/84/58/950998458.db2.gz VZWYMVKWHDIQRH-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)(CC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)CC(F)F ZINC001573900379 951002209 /nfs/dbraw/zinc/00/22/09/951002209.db2.gz YVKVNZHWDINPCE-AOOOYVTPSA-N -1 1 380.403 1.209 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)F)nc1)Nc1nccnc1-c1nnn[n-]1 ZINC001575017615 951003739 /nfs/dbraw/zinc/00/37/39/951003739.db2.gz ICGOJPANQSCNSP-MRVPVSSYSA-N -1 1 375.343 1.220 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)F)nc1)Nc1nccnc1-c1nn[n-]n1 ZINC001575017615 951003766 /nfs/dbraw/zinc/00/37/66/951003766.db2.gz ICGOJPANQSCNSP-MRVPVSSYSA-N -1 1 375.343 1.220 20 0 GDADMM C[C@H](CNC(=O)c1ccc(=O)[nH]c1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575019076 951030417 /nfs/dbraw/zinc/03/04/17/951030417.db2.gz QZCSFIOUILIECI-ZCFIWIBFSA-N -1 1 380.821 1.308 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)F)nc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575019684 951039433 /nfs/dbraw/zinc/03/94/33/951039433.db2.gz UXTHLUVBDIITHO-MRVPVSSYSA-N -1 1 375.343 1.220 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)F)nc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575019684 951039444 /nfs/dbraw/zinc/03/94/44/951039444.db2.gz UXTHLUVBDIITHO-MRVPVSSYSA-N -1 1 375.343 1.220 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)c(Cl)c1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575021042 951059162 /nfs/dbraw/zinc/05/91/62/951059162.db2.gz ALZQTJJDEWUCER-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)c(Cl)c1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575021042 951059176 /nfs/dbraw/zinc/05/91/76/951059176.db2.gz ALZQTJJDEWUCER-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)cc1F)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575023307 951080336 /nfs/dbraw/zinc/08/03/36/951080336.db2.gz MOZYYPUKLRMPKH-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)cc1F)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575023307 951080344 /nfs/dbraw/zinc/08/03/44/951080344.db2.gz MOZYYPUKLRMPKH-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)cc1F)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575023313 951080857 /nfs/dbraw/zinc/08/08/57/951080857.db2.gz MPULQEFBVXFCPY-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)cc1F)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575023313 951080874 /nfs/dbraw/zinc/08/08/74/951080874.db2.gz MPULQEFBVXFCPY-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1ccc(N(C)C)cc1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575025306 951128286 /nfs/dbraw/zinc/12/82/86/951128286.db2.gz XPFOTYDWXSJXKR-LBPRGKRZSA-N -1 1 381.444 1.201 20 0 GDADMM C[C@H](CNC(=O)c1ccc(N(C)C)cc1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575025306 951128294 /nfs/dbraw/zinc/12/82/94/951128294.db2.gz XPFOTYDWXSJXKR-LBPRGKRZSA-N -1 1 381.444 1.201 20 0 GDADMM CCOC(=O)c1sc(NC(=O)CN[C@H]2C[C@@H](O)C23CCC3)c(C(=O)[O-])c1C ZINC001591466560 951145567 /nfs/dbraw/zinc/14/55/67/951145567.db2.gz IMIACSFCEYLFGQ-WDEREUQCSA-N -1 1 396.465 1.763 20 0 GDADMM CC(C)(C)CC[C@@H](NC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O)C(=O)[O-] ZINC001602861421 971721553 /nfs/dbraw/zinc/72/15/53/971721553.db2.gz WKYXVPMYZAUOCJ-OAHLLOKOSA-N -1 1 387.436 1.654 20 0 GDADMM C[C@H](CNC(=O)c1cccc2c1O[C@H](C)C2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575029304 951184600 /nfs/dbraw/zinc/18/46/00/951184600.db2.gz SMWHTMHYGSRISF-GHMZBOCLSA-N -1 1 380.412 1.211 20 0 GDADMM C[C@H](CNC(=O)c1cccc2c1O[C@H](C)C2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575029304 951184605 /nfs/dbraw/zinc/18/46/05/951184605.db2.gz SMWHTMHYGSRISF-GHMZBOCLSA-N -1 1 380.412 1.211 20 0 GDADMM C[C@H](CNC(=O)c1ccccc1C1(C)CC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575029755 951189435 /nfs/dbraw/zinc/18/94/35/951189435.db2.gz XIXQODHMEJQXQE-GFCCVEGCSA-N -1 1 378.440 1.939 20 0 GDADMM C[C@H](CNC(=O)c1ccccc1C1(C)CC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575029755 951189443 /nfs/dbraw/zinc/18/94/43/951189443.db2.gz XIXQODHMEJQXQE-GFCCVEGCSA-N -1 1 378.440 1.939 20 0 GDADMM C[C@H](CNC(=O)c1cccnc1C1CC1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575031888 951208291 /nfs/dbraw/zinc/20/82/91/951208291.db2.gz LGWVZLHLECXJTP-NSHDSACASA-N -1 1 379.428 1.407 20 0 GDADMM C[C@H](CNC(=O)c1cccnc1C1CC1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575031888 951208306 /nfs/dbraw/zinc/20/83/06/951208306.db2.gz LGWVZLHLECXJTP-NSHDSACASA-N -1 1 379.428 1.407 20 0 GDADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001592211047 951311710 /nfs/dbraw/zinc/31/17/10/951311710.db2.gz FSHVMSWNCQCUBP-MRXNPFEDSA-N -1 1 376.413 1.005 20 0 GDADMM C[C@H](CNC(=O)c1cn(C)c2ccccc12)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575043058 951378751 /nfs/dbraw/zinc/37/87/51/951378751.db2.gz NVESKPPIINKUGD-LLVKDONJSA-N -1 1 377.412 1.379 20 0 GDADMM C[C@H](CNC(=O)c1cn(C)c2ccccc12)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575043058 951378767 /nfs/dbraw/zinc/37/87/67/951378767.db2.gz NVESKPPIINKUGD-LLVKDONJSA-N -1 1 377.412 1.379 20 0 GDADMM C[C@H](CNC(=O)c1cnc(C(C)(C)C)s1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575043714 951402994 /nfs/dbraw/zinc/40/29/94/951402994.db2.gz MKXIOBDKNIEQOX-SECBINFHSA-N -1 1 387.473 1.641 20 0 GDADMM C[C@H](CNC(=O)c1cnc(C(C)(C)C)s1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575043714 951402999 /nfs/dbraw/zinc/40/29/99/951402999.db2.gz MKXIOBDKNIEQOX-SECBINFHSA-N -1 1 387.473 1.641 20 0 GDADMM C[C@@H](CNC(=O)c1cncs1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575052481 951466994 /nfs/dbraw/zinc/46/69/94/951466994.db2.gz KBEHRSKDVPGCTM-LURJTMIESA-N -1 1 384.878 1.911 20 0 GDADMM C[C@@H](CNC(=O)c1cncs1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575052481 951467003 /nfs/dbraw/zinc/46/70/03/951467003.db2.gz KBEHRSKDVPGCTM-LURJTMIESA-N -1 1 384.878 1.911 20 0 GDADMM C[C@H](CNC(=O)c1coc(C(C)(C)C)n1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575056943 951525889 /nfs/dbraw/zinc/52/58/89/951525889.db2.gz NAIQWXDPYHIQNU-SNVBAGLBSA-N -1 1 385.432 1.197 20 0 GDADMM C[C@H](CNC(=O)c1coc(C(C)(C)C)n1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575056943 951525900 /nfs/dbraw/zinc/52/59/00/951525900.db2.gz NAIQWXDPYHIQNU-SNVBAGLBSA-N -1 1 385.432 1.197 20 0 GDADMM C[C@@H](CNC(=O)c1csc(Cl)c1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575058813 951534629 /nfs/dbraw/zinc/53/46/29/951534629.db2.gz VIDHONZVXQEDIM-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@@H](CNC(=O)c1csc(Cl)c1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575058813 951534631 /nfs/dbraw/zinc/53/46/31/951534631.db2.gz VIDHONZVXQEDIM-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@H](CNC(=O)c1ncc(Cl)s1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575061543 951557807 /nfs/dbraw/zinc/55/78/07/951557807.db2.gz NGVHYAAFQFWHOO-SSDOTTSWSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@H](CNC(=O)c1cscc1Cl)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575061644 951561845 /nfs/dbraw/zinc/56/18/45/951561845.db2.gz PFEQBWYELGUBQI-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM O=C([O-])CN(C(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CCCCC1)C1CCC1 ZINC001595067675 951573030 /nfs/dbraw/zinc/57/30/30/951573030.db2.gz AGMFNOVOJBBHMX-INIZCTEOSA-N -1 1 376.457 1.483 20 0 GDADMM C[C@H](CNC(=O)c1ncsc1C1CC1)CNc1nccnc1-c1nnn[n-]1 ZINC001575066380 951594918 /nfs/dbraw/zinc/59/49/18/951594918.db2.gz KWANELKNEOFBKY-VIFPVBQESA-N -1 1 385.457 1.469 20 0 GDADMM C[C@H](CNC(=O)c1ncsc1C1CC1)CNc1nccnc1-c1nn[n-]n1 ZINC001575066380 951594924 /nfs/dbraw/zinc/59/49/24/951594924.db2.gz KWANELKNEOFBKY-VIFPVBQESA-N -1 1 385.457 1.469 20 0 GDADMM O=C([O-])CN1CCCC[C@H](NC(=O)c2c(O)cc(Cl)cc2Cl)C1=O ZINC001595092793 951795718 /nfs/dbraw/zinc/79/57/18/951795718.db2.gz CEORDWUFZBKOMM-JTQLQIEISA-N -1 1 375.208 1.895 20 0 GDADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)COC1CCCC1)C1CC1 ZINC001575123685 952018564 /nfs/dbraw/zinc/01/85/64/952018564.db2.gz BTWJGUPNLNOCHK-GOSISDBHSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)COC1CCCC1)C1CC1 ZINC001575123685 952018573 /nfs/dbraw/zinc/01/85/73/952018573.db2.gz BTWJGUPNLNOCHK-GOSISDBHSA-N -1 1 386.460 1.313 20 0 GDADMM O=C([O-])Cc1ccccc1NC(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 ZINC001595135764 952051362 /nfs/dbraw/zinc/05/13/62/952051362.db2.gz DNOOXLLJFSFRJR-QGZVFWFLSA-N -1 1 390.484 1.232 20 0 GDADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)CC1CCOCC1)C1CC1 ZINC001575129556 952081648 /nfs/dbraw/zinc/08/16/48/952081648.db2.gz VPWWGWAXCUPUIG-GOSISDBHSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)CC1CCOCC1)C1CC1 ZINC001575129556 952081656 /nfs/dbraw/zinc/08/16/56/952081656.db2.gz VPWWGWAXCUPUIG-GOSISDBHSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)C1CC2(CCC2)C1)C1CC1 ZINC001575129584 952082505 /nfs/dbraw/zinc/08/25/05/952082505.db2.gz WEWBFYHPJRRYHF-GOSISDBHSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)C1CC2(CCC2)C1)C1CC1 ZINC001575129584 952082514 /nfs/dbraw/zinc/08/25/14/952082514.db2.gz WEWBFYHPJRRYHF-GOSISDBHSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ccn(C(C)(C)C)n1 ZINC001575132709 952095608 /nfs/dbraw/zinc/09/56/08/952095608.db2.gz AGBOCOOEVRICIE-NSHDSACASA-N -1 1 384.448 1.181 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ccn(C(C)(C)C)n1 ZINC001575132709 952095616 /nfs/dbraw/zinc/09/56/16/952095616.db2.gz AGBOCOOEVRICIE-NSHDSACASA-N -1 1 384.448 1.181 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cccc2ncccc21 ZINC001575135847 952121344 /nfs/dbraw/zinc/12/13/44/952121344.db2.gz SISKPMJHVWLSNO-GFCCVEGCSA-N -1 1 389.423 1.778 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cccc2ncccc21 ZINC001575135847 952121348 /nfs/dbraw/zinc/12/13/48/952121348.db2.gz SISKPMJHVWLSNO-GFCCVEGCSA-N -1 1 389.423 1.778 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@H]1CCCC(F)(F)C1 ZINC001575135894 952122811 /nfs/dbraw/zinc/12/28/11/952122811.db2.gz SXWHJHMNSHGXER-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@H]1CCCC(F)(F)C1 ZINC001575135894 952122816 /nfs/dbraw/zinc/12/28/16/952122816.db2.gz SXWHJHMNSHGXER-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)CCCC1CCOCC1 ZINC001575136246 952123082 /nfs/dbraw/zinc/12/30/82/952123082.db2.gz UDDYECBANKFCCP-ZDUSSCGKSA-N -1 1 388.476 1.512 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)CCCC1CCOCC1 ZINC001575136246 952123084 /nfs/dbraw/zinc/12/30/84/952123084.db2.gz UDDYECBANKFCCP-ZDUSSCGKSA-N -1 1 388.476 1.512 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)Cc1cccc(C2CC2)c1 ZINC001575142204 952147146 /nfs/dbraw/zinc/14/71/46/952147146.db2.gz KGRKMQFXODOEOR-CYBMUJFWSA-N -1 1 392.467 1.458 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001575143635 952155963 /nfs/dbraw/zinc/15/59/63/952155963.db2.gz QFTAKVIGMPKYFS-NYTXWWLZSA-N -1 1 384.488 1.554 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C[C@@H]1CCc2ccccc21 ZINC001575143641 952156486 /nfs/dbraw/zinc/15/64/86/952156486.db2.gz QGCBJHIDZCOODR-ZFWWWQNUSA-N -1 1 392.467 1.458 20 0 GDADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)c1ccc(Cl)[nH]1)C1CC1 ZINC001575144984 952175143 /nfs/dbraw/zinc/17/51/43/952175143.db2.gz ZYSGLEYKUJPWMZ-MRXNPFEDSA-N -1 1 387.835 1.071 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)Cc1cc(C2CC2)no1 ZINC001575152932 952203358 /nfs/dbraw/zinc/20/33/58/952203358.db2.gz ARTLNSJKDBRLRL-SNVBAGLBSA-N -1 1 383.416 1.024 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)Cc1cc(C2CC2)no1 ZINC001575152932 952203368 /nfs/dbraw/zinc/20/33/68/952203368.db2.gz ARTLNSJKDBRLRL-SNVBAGLBSA-N -1 1 383.416 1.024 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ccsc1Cl ZINC001575154305 952219614 /nfs/dbraw/zinc/21/96/14/952219614.db2.gz ATZADVUTIRCXPQ-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ccsc1Cl ZINC001575154305 952219621 /nfs/dbraw/zinc/21/96/21/952219621.db2.gz ATZADVUTIRCXPQ-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)C[C@@H]1CCCCO1)C1CC1 ZINC001575154983 952233620 /nfs/dbraw/zinc/23/36/20/952233620.db2.gz JCRFNGQITBJBCX-SCLBCKFNSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)C[C@@H]1CCCCO1)C1CC1 ZINC001575154983 952233628 /nfs/dbraw/zinc/23/36/28/952233628.db2.gz JCRFNGQITBJBCX-SCLBCKFNSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)CCC(F)(F)F)C1CC1 ZINC001575155058 952235090 /nfs/dbraw/zinc/23/50/90/952235090.db2.gz JXBVGLCWEZVMAQ-AWEZNQCLSA-N -1 1 384.366 1.696 20 0 GDADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)CCC(F)(F)F)C1CC1 ZINC001575155058 952235093 /nfs/dbraw/zinc/23/50/93/952235093.db2.gz JXBVGLCWEZVMAQ-AWEZNQCLSA-N -1 1 384.366 1.696 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cccc2[nH]ncc21 ZINC001575155382 952238208 /nfs/dbraw/zinc/23/82/08/952238208.db2.gz LXJHZJJCTIRYET-SNVBAGLBSA-N -1 1 378.400 1.106 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cc(Cl)cn1C ZINC001575155371 952238502 /nfs/dbraw/zinc/23/85/02/952238502.db2.gz LOJIUTYHMICJBE-SECBINFHSA-N -1 1 375.824 1.221 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cc(Cl)cn1C ZINC001575155371 952238509 /nfs/dbraw/zinc/23/85/09/952238509.db2.gz LOJIUTYHMICJBE-SECBINFHSA-N -1 1 375.824 1.221 20 0 GDADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)[C@H]1C[C@@H]1C(F)F)C1CC1 ZINC001575155844 952246073 /nfs/dbraw/zinc/24/60/73/952246073.db2.gz PKNMSDRGPWXMFY-PUTJDCORSA-N -1 1 378.387 1.255 20 0 GDADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)[C@H]1C[C@@H]1C(F)F)C1CC1 ZINC001575155844 952246080 /nfs/dbraw/zinc/24/60/80/952246080.db2.gz PKNMSDRGPWXMFY-PUTJDCORSA-N -1 1 378.387 1.255 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cc2c(s1)CCC2 ZINC001575156051 952247628 /nfs/dbraw/zinc/24/76/28/952247628.db2.gz BTTQYXZCPYKMLY-JTQLQIEISA-N -1 1 384.469 1.780 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc2c(s1)CCC2 ZINC001575156051 952247631 /nfs/dbraw/zinc/24/76/31/952247631.db2.gz BTTQYXZCPYKMLY-JTQLQIEISA-N -1 1 384.469 1.780 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)Cc1ccc(Cl)s1 ZINC001575156106 952248622 /nfs/dbraw/zinc/24/86/22/952248622.db2.gz CIAZDQHQVUVMKC-VIFPVBQESA-N -1 1 392.876 1.873 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)Cc1ccc(Cl)s1 ZINC001575156106 952248628 /nfs/dbraw/zinc/24/86/28/952248628.db2.gz CIAZDQHQVUVMKC-VIFPVBQESA-N -1 1 392.876 1.873 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ccc(C2CC2)cn1 ZINC001575156857 952257702 /nfs/dbraw/zinc/25/77/02/952257702.db2.gz WUJMBYCLFBSSAD-LLVKDONJSA-N -1 1 379.428 1.502 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ccc(C2CC2)cn1 ZINC001575156857 952257711 /nfs/dbraw/zinc/25/77/11/952257711.db2.gz WUJMBYCLFBSSAD-LLVKDONJSA-N -1 1 379.428 1.502 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)C(C)(C)C1CCOCC1 ZINC001575157431 952264532 /nfs/dbraw/zinc/26/45/32/952264532.db2.gz ZZYJTYYNJYSJEJ-GFCCVEGCSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)C(C)(C)C1CCOCC1 ZINC001575157431 952264538 /nfs/dbraw/zinc/26/45/38/952264538.db2.gz ZZYJTYYNJYSJEJ-GFCCVEGCSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)C[C@@H]1CCCC1(F)F ZINC001575158405 952271493 /nfs/dbraw/zinc/27/14/93/952271493.db2.gz URNUIABQEIKJLK-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)C[C@@H]1CCCC1(F)F ZINC001575158405 952271497 /nfs/dbraw/zinc/27/14/97/952271497.db2.gz URNUIABQEIKJLK-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)Cc1cc(F)ccc1F ZINC001575158886 952274379 /nfs/dbraw/zinc/27/43/79/952274379.db2.gz XFCOIZMGDUAAPD-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)Cc1cc(F)ccc1F ZINC001575158886 952274387 /nfs/dbraw/zinc/27/43/87/952274387.db2.gz XFCOIZMGDUAAPD-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)c1cnns1 ZINC001575164588 952294948 /nfs/dbraw/zinc/29/49/48/952294948.db2.gz FXPBCQYJKXCKMA-YFKPBYRVSA-N -1 1 385.866 1.401 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)c1cnns1 ZINC001575164588 952294953 /nfs/dbraw/zinc/29/49/53/952294953.db2.gz FXPBCQYJKXCKMA-YFKPBYRVSA-N -1 1 385.866 1.401 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)Cc1ncc[nH]1 ZINC001575164540 952295797 /nfs/dbraw/zinc/29/57/97/952295797.db2.gz FJSXVTLEIVQINO-SSDOTTSWSA-N -1 1 381.853 1.201 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)Cc1ncc[nH]1 ZINC001575164540 952295803 /nfs/dbraw/zinc/29/58/03/952295803.db2.gz FJSXVTLEIVQINO-SSDOTTSWSA-N -1 1 381.853 1.201 20 0 GDADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)C[C@@H]1CCCO1 ZINC001575165329 952307663 /nfs/dbraw/zinc/30/76/63/952307663.db2.gz NJZRSRNSMKZPOL-IUCAKERBSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)Cn1ccnc1 ZINC001575165399 952308573 /nfs/dbraw/zinc/30/85/73/952308573.db2.gz OMLJIRIEXYQOQC-QMMMGPOBSA-N -1 1 381.853 1.132 20 0 GDADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)c1ncccc1F)C1CC1 ZINC001575173979 952362059 /nfs/dbraw/zinc/36/20/59/952362059.db2.gz DSBBXXNSERHNMG-QGZVFWFLSA-N -1 1 383.391 1.201 20 0 GDADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)c1ncccc1F)C1CC1 ZINC001575173979 952362066 /nfs/dbraw/zinc/36/20/66/952362066.db2.gz DSBBXXNSERHNMG-QGZVFWFLSA-N -1 1 383.391 1.201 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(CCS(=O)(=O)CC(=O)[O-])C[C@H]21 ZINC001602902611 971826897 /nfs/dbraw/zinc/82/68/97/971826897.db2.gz DILMSHZMZVAADS-MGPQQGTHSA-N -1 1 390.502 1.111 20 0 GDADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)c1ccccc1F)C1CC1 ZINC001575174442 952373062 /nfs/dbraw/zinc/37/30/62/952373062.db2.gz OCJMGYRUXPSMAU-GOSISDBHSA-N -1 1 382.403 1.806 20 0 GDADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)c1ccccc1F)C1CC1 ZINC001575174442 952373064 /nfs/dbraw/zinc/37/30/64/952373064.db2.gz OCJMGYRUXPSMAU-GOSISDBHSA-N -1 1 382.403 1.806 20 0 GDADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)c1ccc(Cl)o1)C1CC1 ZINC001575174743 952378275 /nfs/dbraw/zinc/37/82/75/952378275.db2.gz RZPVBYPWDCRZNG-MRXNPFEDSA-N -1 1 388.819 1.914 20 0 GDADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)c1ccc(Cl)o1)C1CC1 ZINC001575174743 952378281 /nfs/dbraw/zinc/37/82/81/952378281.db2.gz RZPVBYPWDCRZNG-MRXNPFEDSA-N -1 1 388.819 1.914 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H](F)Cc1ccccc1 ZINC001575175135 952381840 /nfs/dbraw/zinc/38/18/40/952381840.db2.gz VBTFYPYYEDKMIG-OCCSQVGLSA-N -1 1 384.419 1.496 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H](F)Cc1ccccc1 ZINC001575175135 952381844 /nfs/dbraw/zinc/38/18/44/952381844.db2.gz VBTFYPYYEDKMIG-OCCSQVGLSA-N -1 1 384.419 1.496 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001575174965 952382208 /nfs/dbraw/zinc/38/22/08/952382208.db2.gz UXPCNZXEODDEJL-QMTHXVAHSA-N -1 1 382.403 1.395 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001575174965 952382214 /nfs/dbraw/zinc/38/22/14/952382214.db2.gz UXPCNZXEODDEJL-QMTHXVAHSA-N -1 1 382.403 1.395 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)CCCc1cccnc1 ZINC001575176290 952392255 /nfs/dbraw/zinc/39/22/55/952392255.db2.gz ZXRWAYSOWDADIK-CYBMUJFWSA-N -1 1 381.444 1.333 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)CCCc1cccnc1 ZINC001575176290 952392258 /nfs/dbraw/zinc/39/22/58/952392258.db2.gz ZXRWAYSOWDADIK-CYBMUJFWSA-N -1 1 381.444 1.333 20 0 GDADMM C[C@@](CO)(NC(=O)c1coc(-c2nnn[n-]2)c1)c1ccc(Br)cc1 ZINC001575177834 952404238 /nfs/dbraw/zinc/40/42/38/952404238.db2.gz NCIAGVKPOXKIHD-HNNXBMFYSA-N -1 1 392.213 1.860 20 0 GDADMM C[C@@](CO)(NC(=O)c1coc(-c2nn[n-]n2)c1)c1ccc(Br)cc1 ZINC001575177834 952404239 /nfs/dbraw/zinc/40/42/39/952404239.db2.gz NCIAGVKPOXKIHD-HNNXBMFYSA-N -1 1 392.213 1.860 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575187523 952441571 /nfs/dbraw/zinc/44/15/71/952441571.db2.gz CQRWCEPFJNGQLC-CHWSQXEVSA-N -1 1 382.428 1.166 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575187523 952441577 /nfs/dbraw/zinc/44/15/77/952441577.db2.gz CQRWCEPFJNGQLC-CHWSQXEVSA-N -1 1 382.428 1.166 20 0 GDADMM CC(=O)c1cccc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC001571114341 952452828 /nfs/dbraw/zinc/45/28/28/952452828.db2.gz GZKMOWYAWYZBDF-UHFFFAOYSA-N -1 1 375.385 1.687 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575189347 952455770 /nfs/dbraw/zinc/45/57/70/952455770.db2.gz NMYHEESSZHFQES-STQMWFEESA-N -1 1 382.428 1.166 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575189347 952455772 /nfs/dbraw/zinc/45/57/72/952455772.db2.gz NMYHEESSZHFQES-STQMWFEESA-N -1 1 382.428 1.166 20 0 GDADMM C[C@@H](Cc1ccc(F)cc1)C(=O)NCCCNc1nccnc1-c1nnn[n-]1 ZINC001575189794 952458886 /nfs/dbraw/zinc/45/88/86/952458886.db2.gz QLVRQPDQXVAYSK-LBPRGKRZSA-N -1 1 384.419 1.593 20 0 GDADMM C[C@@H](Cc1ccc(F)cc1)C(=O)NCCCNc1nccnc1-c1nn[n-]n1 ZINC001575189794 952458889 /nfs/dbraw/zinc/45/88/89/952458889.db2.gz QLVRQPDQXVAYSK-LBPRGKRZSA-N -1 1 384.419 1.593 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H](C)Cc1cccc(F)c1 ZINC001575191994 952470708 /nfs/dbraw/zinc/47/07/08/952470708.db2.gz ZZJXHPRQBCYGPK-VXGBXAGGSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H](C)Cc1cccc(F)c1 ZINC001575191994 952470712 /nfs/dbraw/zinc/47/07/12/952470712.db2.gz ZZJXHPRQBCYGPK-VXGBXAGGSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575197023 952477792 /nfs/dbraw/zinc/47/77/92/952477792.db2.gz LYZLRSPQTQJTFP-XIKOKIGWSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575197023 952477794 /nfs/dbraw/zinc/47/77/94/952477794.db2.gz LYZLRSPQTQJTFP-XIKOKIGWSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@]1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575197183 952480040 /nfs/dbraw/zinc/48/00/40/952480040.db2.gz OXBBCYHQIQAPRE-KPZWWZAWSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@]1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575197183 952480042 /nfs/dbraw/zinc/48/00/42/952480042.db2.gz OXBBCYHQIQAPRE-KPZWWZAWSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001575197225 952481048 /nfs/dbraw/zinc/48/10/48/952481048.db2.gz QMARBVRNMUTAGJ-CHWSQXEVSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001575197225 952481051 /nfs/dbraw/zinc/48/10/51/952481051.db2.gz QMARBVRNMUTAGJ-CHWSQXEVSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NCCN(c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001575197321 952483381 /nfs/dbraw/zinc/48/33/81/952483381.db2.gz TTWOOFFQYUWSEB-GFCCVEGCSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NCCN(c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001575197321 952483385 /nfs/dbraw/zinc/48/33/85/952483385.db2.gz TTWOOFFQYUWSEB-GFCCVEGCSA-N -1 1 382.428 1.214 20 0 GDADMM Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nnn[n-]3)nn2)c(C)c1 ZINC001571119403 952490609 /nfs/dbraw/zinc/49/06/09/952490609.db2.gz AYEYPVOXDBLRGR-KBPBESRZSA-N -1 1 376.424 1.377 20 0 GDADMM Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nn[n-]n3)nn2)c(C)c1 ZINC001571119403 952490613 /nfs/dbraw/zinc/49/06/13/952490613.db2.gz AYEYPVOXDBLRGR-KBPBESRZSA-N -1 1 376.424 1.377 20 0 GDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)[C@H]1COc2ccc(Br)cc21 ZINC001571119923 952496536 /nfs/dbraw/zinc/49/65/36/952496536.db2.gz HARUBMSUHCWXAI-VIFPVBQESA-N -1 1 376.174 1.467 20 0 GDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)[C@H]1COc2ccc(Br)cc21 ZINC001571119923 952496540 /nfs/dbraw/zinc/49/65/40/952496540.db2.gz HARUBMSUHCWXAI-VIFPVBQESA-N -1 1 376.174 1.467 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)Nc1c(-c2nn[n-]n2)nnn1Cc1ccccc1 ZINC001575201242 952502430 /nfs/dbraw/zinc/50/24/30/952502430.db2.gz HQEQXMVMXBJCRN-LBPRGKRZSA-N -1 1 378.396 1.917 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@@H]2C)cc1 ZINC001571121164 952516119 /nfs/dbraw/zinc/51/61/19/952516119.db2.gz XARYMRGHSCBPBI-SWLSCSKDSA-N -1 1 376.424 1.437 20 0 GDADMM CC(C)(C)c1noc(CCCC(=O)NCc2nc(-c3nnn[n-]3)cs2)n1 ZINC001571121590 952520567 /nfs/dbraw/zinc/52/05/67/952520567.db2.gz AGFOWFCRWHJFJC-UHFFFAOYSA-N -1 1 376.446 1.643 20 0 GDADMM CC(C)(C)c1noc(CCCC(=O)NCc2nc(-c3nn[n-]n3)cs2)n1 ZINC001571121590 952520573 /nfs/dbraw/zinc/52/05/73/952520573.db2.gz AGFOWFCRWHJFJC-UHFFFAOYSA-N -1 1 376.446 1.643 20 0 GDADMM CS[C@@H](C)C(=O)N1CCCC[C@@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001571123150 952529006 /nfs/dbraw/zinc/52/90/06/952529006.db2.gz QJXPFCYIRDVIPS-NWDGAFQWSA-N -1 1 376.490 1.226 20 0 GDADMM CS[C@@H](C)C(=O)N1CCCC[C@@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001571123150 952529007 /nfs/dbraw/zinc/52/90/07/952529007.db2.gz QJXPFCYIRDVIPS-NWDGAFQWSA-N -1 1 376.490 1.226 20 0 GDADMM CC[C@H](SC)C(=O)N1CCC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571123495 952530649 /nfs/dbraw/zinc/53/06/49/952530649.db2.gz SNXIJQCPIBEOBL-AAEUAGOBSA-N -1 1 376.490 1.226 20 0 GDADMM CC[C@H](SC)C(=O)N1CCC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571123495 952530654 /nfs/dbraw/zinc/53/06/54/952530654.db2.gz SNXIJQCPIBEOBL-AAEUAGOBSA-N -1 1 376.490 1.226 20 0 GDADMM CN(C)[C@@H](CCNC(=O)NCc1ccc(-c2nn[n-]n2)s1)C(F)(F)F ZINC001571124434 952538322 /nfs/dbraw/zinc/53/83/22/952538322.db2.gz IWRAOHCBGBPIKA-JTQLQIEISA-N -1 1 377.396 1.610 20 0 GDADMM Cc1nsc(N[C@H]2C[C@@H](CNC(=O)c3n[nH]cc3F)C2)c1-c1nn[n-]n1 ZINC001571124835 952545407 /nfs/dbraw/zinc/54/54/07/952545407.db2.gz WATXDNRQMZSPQC-OCAPTIKFSA-N -1 1 377.409 1.114 20 0 GDADMM O=C(c1cccnc1C1CC1)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571128208 952564794 /nfs/dbraw/zinc/56/47/94/952564794.db2.gz QXZPTYBRLHUMPE-LBPRGKRZSA-N -1 1 377.412 1.256 20 0 GDADMM O=C(c1cccnc1C1CC1)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571128208 952564795 /nfs/dbraw/zinc/56/47/95/952564795.db2.gz QXZPTYBRLHUMPE-LBPRGKRZSA-N -1 1 377.412 1.256 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575214619 952564861 /nfs/dbraw/zinc/56/48/61/952564861.db2.gz NFNIJXRNYHGWTK-SNVBAGLBSA-N -1 1 380.403 1.423 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575214619 952564865 /nfs/dbraw/zinc/56/48/65/952564865.db2.gz NFNIJXRNYHGWTK-SNVBAGLBSA-N -1 1 380.403 1.423 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575214907 952566361 /nfs/dbraw/zinc/56/63/61/952566361.db2.gz PILDQYPIZAHFBY-AOOOYVTPSA-N -1 1 380.403 1.645 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575214907 952566367 /nfs/dbraw/zinc/56/63/67/952566367.db2.gz PILDQYPIZAHFBY-AOOOYVTPSA-N -1 1 380.403 1.645 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1 ZINC001575215462 952567788 /nfs/dbraw/zinc/56/77/88/952567788.db2.gz UEUFMEBTLRPIAC-USWWRNFRSA-N -1 1 392.414 1.564 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1 ZINC001575215462 952567792 /nfs/dbraw/zinc/56/77/92/952567792.db2.gz UEUFMEBTLRPIAC-USWWRNFRSA-N -1 1 392.414 1.564 20 0 GDADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)CC2CC(F)(F)C2)C1 ZINC001571129829 952576358 /nfs/dbraw/zinc/57/63/58/952576358.db2.gz JYPQSHNEGQKGPZ-NSHDSACASA-N -1 1 378.387 1.129 20 0 GDADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)CC2CC(F)(F)C2)C1 ZINC001571129829 952576370 /nfs/dbraw/zinc/57/63/70/952576370.db2.gz JYPQSHNEGQKGPZ-NSHDSACASA-N -1 1 378.387 1.129 20 0 GDADMM O=C(C[C@H]1CCCC1(F)F)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571130041 952578284 /nfs/dbraw/zinc/57/82/84/952578284.db2.gz NSZQUGQUTVDTCD-GHMZBOCLSA-N -1 1 378.387 1.495 20 0 GDADMM O=C(C[C@H]1CCCC1(F)F)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571130041 952578286 /nfs/dbraw/zinc/57/82/86/952578286.db2.gz NSZQUGQUTVDTCD-GHMZBOCLSA-N -1 1 378.387 1.495 20 0 GDADMM O=C(C[C@@H]1CCCC1(F)F)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571130043 952578303 /nfs/dbraw/zinc/57/83/03/952578303.db2.gz NSZQUGQUTVDTCD-QWRGUYRKSA-N -1 1 378.387 1.495 20 0 GDADMM O=C(C[C@@H]1CCCC1(F)F)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571130043 952578304 /nfs/dbraw/zinc/57/83/04/952578304.db2.gz NSZQUGQUTVDTCD-QWRGUYRKSA-N -1 1 378.387 1.495 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@H]2[C@@H](CCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001571130936 952582529 /nfs/dbraw/zinc/58/25/29/952582529.db2.gz ZBFYXARPGBIGOT-QWRGUYRKSA-N -1 1 378.387 1.129 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@H]2[C@@H](CCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001571130936 952582532 /nfs/dbraw/zinc/58/25/32/952582532.db2.gz ZBFYXARPGBIGOT-QWRGUYRKSA-N -1 1 378.387 1.129 20 0 GDADMM Cc1cccc(C(=O)NCC2CC(Nc3nccnc3-c3nnn[n-]3)C2)c1C ZINC001571134253 952587809 /nfs/dbraw/zinc/58/78/09/952587809.db2.gz GMYNZQPEKJEIQC-UHFFFAOYSA-N -1 1 378.440 1.894 20 0 GDADMM Cc1cccc(C(=O)NCC2CC(Nc3nccnc3-c3nn[n-]n3)C2)c1C ZINC001571134253 952587811 /nfs/dbraw/zinc/58/78/11/952587811.db2.gz GMYNZQPEKJEIQC-UHFFFAOYSA-N -1 1 378.440 1.894 20 0 GDADMM Cc1ccc(C)c(C(=O)N2CC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571134481 952590384 /nfs/dbraw/zinc/59/03/84/952590384.db2.gz IUFOVGAEFZJEBO-CQSZACIVSA-N -1 1 378.440 1.848 20 0 GDADMM Cc1ccc(C)c(C(=O)N2CC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571134481 952590387 /nfs/dbraw/zinc/59/03/87/952590387.db2.gz IUFOVGAEFZJEBO-CQSZACIVSA-N -1 1 378.440 1.848 20 0 GDADMM Cc1cc(C)cc(C(=O)N2CCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571134716 952593618 /nfs/dbraw/zinc/59/36/18/952593618.db2.gz KIUVALLVKXGOEP-HNNXBMFYSA-N -1 1 378.440 1.412 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)Cc1ccccc1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571134658 952594280 /nfs/dbraw/zinc/59/42/80/952594280.db2.gz JLCJXSUTVPBVMU-OAHLLOKOSA-N -1 1 378.440 1.327 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)Cc1ccccc1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571134658 952594283 /nfs/dbraw/zinc/59/42/83/952594283.db2.gz JLCJXSUTVPBVMU-OAHLLOKOSA-N -1 1 378.440 1.327 20 0 GDADMM CC(C)c1ccccc1C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571135583 952605534 /nfs/dbraw/zinc/60/55/34/952605534.db2.gz XUNCZZJGPPRGBT-ZDUSSCGKSA-N -1 1 378.440 1.789 20 0 GDADMM CC(C)c1ccccc1C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571135583 952605538 /nfs/dbraw/zinc/60/55/38/952605538.db2.gz XUNCZZJGPPRGBT-ZDUSSCGKSA-N -1 1 378.440 1.789 20 0 GDADMM CCc1ccccc1C(=O)N[C@H]1C[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571135620 952606997 /nfs/dbraw/zinc/60/69/97/952606997.db2.gz ZBHSVEQCJDFTCO-OKILXGFUSA-N -1 1 378.440 1.900 20 0 GDADMM CCc1ccccc1C(=O)N[C@H]1C[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571135620 952606999 /nfs/dbraw/zinc/60/69/99/952606999.db2.gz ZBHSVEQCJDFTCO-OKILXGFUSA-N -1 1 378.440 1.900 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1)c1cc[nH]c1 ZINC001571141494 952633972 /nfs/dbraw/zinc/63/39/72/952633972.db2.gz HKRHSXZAZNGYKS-OTSSQURYSA-N -1 1 378.849 1.925 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1)c1cc[nH]c1 ZINC001571141494 952633974 /nfs/dbraw/zinc/63/39/74/952633974.db2.gz HKRHSXZAZNGYKS-OTSSQURYSA-N -1 1 378.849 1.925 20 0 GDADMM O=C(Cc1ccc[nH]1)N1CC[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571141999 952638438 /nfs/dbraw/zinc/63/84/38/952638438.db2.gz MXFJSLOUZWEZHY-SECBINFHSA-N -1 1 378.849 1.560 20 0 GDADMM CCc1cccnc1C(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571146717 952651962 /nfs/dbraw/zinc/65/19/62/952651962.db2.gz AXZWAQZDWFEGTM-CYBMUJFWSA-N -1 1 379.428 1.249 20 0 GDADMM CCc1cccnc1C(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571146717 952651967 /nfs/dbraw/zinc/65/19/67/952651967.db2.gz AXZWAQZDWFEGTM-CYBMUJFWSA-N -1 1 379.428 1.249 20 0 GDADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC001571147133 952657836 /nfs/dbraw/zinc/65/78/36/952657836.db2.gz GXJRRPCLZFXEHU-OCCSQVGLSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC001571147133 952657840 /nfs/dbraw/zinc/65/78/40/952657840.db2.gz GXJRRPCLZFXEHU-OCCSQVGLSA-N -1 1 379.428 1.405 20 0 GDADMM CCc1ccnc(C(=O)N2C[C@H](C)[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571147558 952662295 /nfs/dbraw/zinc/66/22/95/952662295.db2.gz NPWBHRDPLRAAHK-XHDPSFHLSA-N -1 1 379.428 1.187 20 0 GDADMM CCc1ccnc(C(=O)N2C[C@H](C)[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571147558 952662302 /nfs/dbraw/zinc/66/23/02/952662302.db2.gz NPWBHRDPLRAAHK-XHDPSFHLSA-N -1 1 379.428 1.187 20 0 GDADMM CCc1cncc(C(=O)NC2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)c1 ZINC001571147517 952662796 /nfs/dbraw/zinc/66/27/96/952662796.db2.gz MSQPZIAEJVIEJP-UHFFFAOYSA-N -1 1 379.428 1.013 20 0 GDADMM C[C@@H]1CN(C(=O)c2cccnc2)C[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001571147600 952663387 /nfs/dbraw/zinc/66/33/87/952663387.db2.gz OXFIOCDRRWXWAC-TZMCWYRMSA-N -1 1 379.428 1.262 20 0 GDADMM C[C@@H]1CN(C(=O)c2cccnc2)C[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001571147600 952663390 /nfs/dbraw/zinc/66/33/90/952663390.db2.gz OXFIOCDRRWXWAC-TZMCWYRMSA-N -1 1 379.428 1.262 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccccn2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571148455 952667258 /nfs/dbraw/zinc/66/72/58/952667258.db2.gz ZWYGKBHSCIUORJ-QWHCGFSZSA-N -1 1 379.428 1.262 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccccn2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571148455 952667261 /nfs/dbraw/zinc/66/72/61/952667261.db2.gz ZWYGKBHSCIUORJ-QWHCGFSZSA-N -1 1 379.428 1.262 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCC[C@H]2CNC(=O)c2ccncc2)n1 ZINC001571148440 952667737 /nfs/dbraw/zinc/66/77/37/952667737.db2.gz ZODQPUWZGFVGQE-AWEZNQCLSA-N -1 1 379.428 1.149 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCC[C@H]2CNC(=O)c2ccncc2)n1 ZINC001571148440 952667740 /nfs/dbraw/zinc/66/77/40/952667740.db2.gz ZODQPUWZGFVGQE-AWEZNQCLSA-N -1 1 379.428 1.149 20 0 GDADMM Cc1nc[nH]c1C(=O)N1CC[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571152985 952685393 /nfs/dbraw/zinc/68/53/93/952685393.db2.gz MVSWPPMMURLSJJ-ZETCQYMHSA-N -1 1 379.837 1.335 20 0 GDADMM Cc1nc[nH]c1C(=O)N1CC[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571152985 952685400 /nfs/dbraw/zinc/68/54/00/952685400.db2.gz MVSWPPMMURLSJJ-ZETCQYMHSA-N -1 1 379.837 1.335 20 0 GDADMM C[C@@H]1C[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CCS1 ZINC001571153387 952686364 /nfs/dbraw/zinc/68/63/64/952686364.db2.gz QJVIJDUWPSOITA-NXEZZACHSA-N -1 1 379.494 1.030 20 0 GDADMM C[C@@H]1C[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CCS1 ZINC001571153387 952686367 /nfs/dbraw/zinc/68/63/67/952686367.db2.gz QJVIJDUWPSOITA-NXEZZACHSA-N -1 1 379.494 1.030 20 0 GDADMM CN(c1cncc(-c2nnn[n-]2)n1)C1CCN(C(=O)C(C)(C)C(F)F)CC1 ZINC001571155531 952698065 /nfs/dbraw/zinc/69/80/65/952698065.db2.gz VPLVTIWFOWAWPM-UHFFFAOYSA-N -1 1 380.403 1.375 20 0 GDADMM CN(c1cncc(-c2nn[n-]n2)n1)C1CCN(C(=O)C(C)(C)C(F)F)CC1 ZINC001571155531 952698072 /nfs/dbraw/zinc/69/80/72/952698072.db2.gz VPLVTIWFOWAWPM-UHFFFAOYSA-N -1 1 380.403 1.375 20 0 GDADMM Cc1cccc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)[C@@H](C)C2)n1 ZINC001571156772 952704797 /nfs/dbraw/zinc/70/47/97/952704797.db2.gz JIWWGSHMIWVSOY-QWHCGFSZSA-N -1 1 379.428 1.147 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)c3ccoc3C3CC3)C2)n1 ZINC001571158241 952710450 /nfs/dbraw/zinc/71/04/50/952710450.db2.gz FSGNBCOYQYJOIU-LBPRGKRZSA-N -1 1 380.412 1.762 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)c3ccoc3C3CC3)C2)n1 ZINC001571158241 952710453 /nfs/dbraw/zinc/71/04/53/952710453.db2.gz FSGNBCOYQYJOIU-LBPRGKRZSA-N -1 1 380.412 1.762 20 0 GDADMM Cc1cc(C)c(NC(=O)CNC(=O)Nc2cccc(-c3nnn[n-]3)n2)c(C)c1 ZINC001571159312 952718088 /nfs/dbraw/zinc/71/80/88/952718088.db2.gz UHCFRLWZYVSKHD-UHFFFAOYSA-N -1 1 380.412 1.947 20 0 GDADMM Cc1cc(C)c(NC(=O)CNC(=O)Nc2cccc(-c3nn[n-]n3)n2)c(C)c1 ZINC001571159312 952718092 /nfs/dbraw/zinc/71/80/92/952718092.db2.gz UHCFRLWZYVSKHD-UHFFFAOYSA-N -1 1 380.412 1.947 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H]3[C@H](CCN3c3ccnc(-c4nn[n-]n4)n3)C2)co1 ZINC001571159489 952719847 /nfs/dbraw/zinc/71/98/47/952719847.db2.gz WGXRGNFLGLVPCY-OCCSQVGLSA-N -1 1 380.412 1.299 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)nc1C ZINC001571159747 952722400 /nfs/dbraw/zinc/72/24/00/952722400.db2.gz WFVDCEKHNXBKDA-CYBMUJFWSA-N -1 1 379.428 1.067 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)nc1C ZINC001571159747 952722403 /nfs/dbraw/zinc/72/24/03/952722403.db2.gz WFVDCEKHNXBKDA-CYBMUJFWSA-N -1 1 379.428 1.067 20 0 GDADMM O=C(N[C@@H]1CC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1)c1ccoc1 ZINC001571160101 952723871 /nfs/dbraw/zinc/72/38/71/952723871.db2.gz DQQFOFNIAGGQCD-IACUBPJLSA-N -1 1 380.412 1.285 20 0 GDADMM O=C(N[C@@H]1CC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1)c1ccoc1 ZINC001571160101 952723874 /nfs/dbraw/zinc/72/38/74/952723874.db2.gz DQQFOFNIAGGQCD-IACUBPJLSA-N -1 1 380.412 1.285 20 0 GDADMM O=C(N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)c1occ2c1CCC2 ZINC001571161032 952729570 /nfs/dbraw/zinc/72/95/70/952729570.db2.gz PBIBNOJBWJCVGE-GFCCVEGCSA-N -1 1 380.412 1.137 20 0 GDADMM O=C(N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)c1occ2c1CCC2 ZINC001571161032 952729572 /nfs/dbraw/zinc/72/95/72/952729572.db2.gz PBIBNOJBWJCVGE-GFCCVEGCSA-N -1 1 380.412 1.137 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ocnc1C1CC1 ZINC001571169959 952780243 /nfs/dbraw/zinc/78/02/43/952780243.db2.gz AKYDEZBWUXOFIN-ONGXEEELSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ocnc1C1CC1 ZINC001571169959 952780247 /nfs/dbraw/zinc/78/02/47/952780247.db2.gz AKYDEZBWUXOFIN-ONGXEEELSA-N -1 1 381.400 1.237 20 0 GDADMM O=C(NCC1CC(Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1)c1cnco1 ZINC001571171528 952793531 /nfs/dbraw/zinc/79/35/31/952793531.db2.gz BOOQTEUGKCZGHR-UHFFFAOYSA-N -1 1 380.821 1.585 20 0 GDADMM O=C(NCC1CC(Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1)c1cnco1 ZINC001571171528 952793534 /nfs/dbraw/zinc/79/35/34/952793534.db2.gz BOOQTEUGKCZGHR-UHFFFAOYSA-N -1 1 380.821 1.585 20 0 GDADMM O=C([C@H]1C[C@H]2C[C@H]2C1)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001571171688 952796301 /nfs/dbraw/zinc/79/63/01/952796301.db2.gz CYCZQDUJEGTKJB-ABTBWFIASA-N -1 1 380.456 1.273 20 0 GDADMM O=C([C@H]1C[C@H]2C[C@H]2C1)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001571171688 952796304 /nfs/dbraw/zinc/79/63/04/952796304.db2.gz CYCZQDUJEGTKJB-ABTBWFIASA-N -1 1 380.456 1.273 20 0 GDADMM O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571172167 952803288 /nfs/dbraw/zinc/80/32/88/952803288.db2.gz OGRREUSAWALAHL-HJORKGSMSA-N -1 1 380.456 1.273 20 0 GDADMM O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571172167 952803294 /nfs/dbraw/zinc/80/32/94/952803294.db2.gz OGRREUSAWALAHL-HJORKGSMSA-N -1 1 380.456 1.273 20 0 GDADMM O=C([C@H]1C[C@H]2C[C@H]2C1)N1CC[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001571172262 952803804 /nfs/dbraw/zinc/80/38/04/952803804.db2.gz QYSSTLJEYUHDIH-FQKPHLNHSA-N -1 1 380.456 1.273 20 0 GDADMM O=C([C@H]1C[C@H]2C[C@H]2C1)N1CC[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001571172262 952803810 /nfs/dbraw/zinc/80/38/10/952803810.db2.gz QYSSTLJEYUHDIH-FQKPHLNHSA-N -1 1 380.456 1.273 20 0 GDADMM O=C(c1cccc(-c2nnn[n-]2)n1)N1CC2(C1)OC(=O)Nc1ccc(F)cc12 ZINC001571172281 952804495 /nfs/dbraw/zinc/80/44/95/952804495.db2.gz RWGJEKXVLUCFOX-UHFFFAOYSA-N -1 1 381.327 1.314 20 0 GDADMM O=C(c1cccc(-c2nn[n-]n2)n1)N1CC2(C1)OC(=O)Nc1ccc(F)cc12 ZINC001571172281 952804501 /nfs/dbraw/zinc/80/45/01/952804501.db2.gz RWGJEKXVLUCFOX-UHFFFAOYSA-N -1 1 381.327 1.314 20 0 GDADMM O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)[C@H]1CC12CC2 ZINC001571172561 952808471 /nfs/dbraw/zinc/80/84/71/952808471.db2.gz XETJLOGYVWUHCY-XJFOESAGSA-N -1 1 380.456 1.320 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C12CCC2)[C@H]1C[C@H]2C[C@H]2C1 ZINC001571172863 952810111 /nfs/dbraw/zinc/81/01/11/952810111.db2.gz ZTIXGCDQODXPBU-HTOAHKCRSA-N -1 1 380.456 1.542 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C12CCC2)[C@H]1C[C@H]2C[C@H]2C1 ZINC001571172863 952810116 /nfs/dbraw/zinc/81/01/16/952810116.db2.gz ZTIXGCDQODXPBU-HTOAHKCRSA-N -1 1 380.456 1.542 20 0 GDADMM O=C(NC1CC(CNc2nccnc2-c2nnn[n-]2)C1)c1ncoc1C1CC1 ZINC001571176153 952829610 /nfs/dbraw/zinc/82/96/10/952829610.db2.gz MTLALZNBPDGHJE-UHFFFAOYSA-N -1 1 381.400 1.143 20 0 GDADMM O=C(NC1CC(CNc2nccnc2-c2nn[n-]n2)C1)c1ncoc1C1CC1 ZINC001571176153 952829614 /nfs/dbraw/zinc/82/96/14/952829614.db2.gz MTLALZNBPDGHJE-UHFFFAOYSA-N -1 1 381.400 1.143 20 0 GDADMM O=C(NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1)c1cnc(C2CC2)o1 ZINC001571176394 952832002 /nfs/dbraw/zinc/83/20/02/952832002.db2.gz RAEGMKWOVRFZQS-UHFFFAOYSA-N -1 1 381.400 1.143 20 0 GDADMM O=C(NCC1CC(Nc2cncc(-c3nn[n-]n3)n2)C1)c1cnc(C2CC2)o1 ZINC001571176394 952832006 /nfs/dbraw/zinc/83/20/06/952832006.db2.gz RAEGMKWOVRFZQS-UHFFFAOYSA-N -1 1 381.400 1.143 20 0 GDADMM CC(C)c1[nH]ccc1C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1 ZINC001571181772 952865764 /nfs/dbraw/zinc/86/57/64/952865764.db2.gz YEXHOMRWBMYFOO-LBPRGKRZSA-N -1 1 381.444 1.507 20 0 GDADMM CC(C)c1[nH]ccc1C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1 ZINC001571181772 952865772 /nfs/dbraw/zinc/86/57/72/952865772.db2.gz YEXHOMRWBMYFOO-LBPRGKRZSA-N -1 1 381.444 1.507 20 0 GDADMM Cc1nsc(NC[C@H]2C[C@H](NC(=O)[C@@]3(F)CCOC3)C2)c1-c1nn[n-]n1 ZINC001571182880 952870769 /nfs/dbraw/zinc/87/07/69/952870769.db2.gz IJOXGACZWNABMM-IQMDTDKHSA-N -1 1 381.437 1.067 20 0 GDADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)[C@H]1CSC(c2ccccc2O)=N1 ZINC001571183132 952873835 /nfs/dbraw/zinc/87/38/35/952873835.db2.gz PQRWTBMNVKCEHF-CYBMUJFWSA-N -1 1 381.421 1.146 20 0 GDADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@H]1CSC(c2ccccc2O)=N1 ZINC001571183132 952873838 /nfs/dbraw/zinc/87/38/38/952873838.db2.gz PQRWTBMNVKCEHF-CYBMUJFWSA-N -1 1 381.421 1.146 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccc[nH]2)[C@@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001571184002 952887415 /nfs/dbraw/zinc/88/74/15/952887415.db2.gz OJNZXMRMOWBWMI-TZMCWYRMSA-N -1 1 381.444 1.728 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccc[nH]2)[C@@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001571184002 952887420 /nfs/dbraw/zinc/88/74/20/952887420.db2.gz OJNZXMRMOWBWMI-TZMCWYRMSA-N -1 1 381.444 1.728 20 0 GDADMM CCc1[nH]ccc1C(=O)N1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571184459 952893141 /nfs/dbraw/zinc/89/31/41/952893141.db2.gz ZVCHBLAPEIBQLY-LBPRGKRZSA-N -1 1 381.444 1.654 20 0 GDADMM CCc1[nH]ccc1C(=O)N1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571184459 952893151 /nfs/dbraw/zinc/89/31/51/952893151.db2.gz ZVCHBLAPEIBQLY-LBPRGKRZSA-N -1 1 381.444 1.654 20 0 GDADMM Cc1[nH]ccc1C(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001571184794 952896943 /nfs/dbraw/zinc/89/69/43/952896943.db2.gz DBYIKTBTRQFTAD-WCQYABFASA-N -1 1 381.444 1.389 20 0 GDADMM Cc1[nH]ccc1C(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001571184794 952896948 /nfs/dbraw/zinc/89/69/48/952896948.db2.gz DBYIKTBTRQFTAD-WCQYABFASA-N -1 1 381.444 1.389 20 0 GDADMM Cc1c(C(=O)N2C[C@H](C)[C@H](CNc3nccnc3-c3nnn[n-]3)C2)ccn1C ZINC001571184859 952899071 /nfs/dbraw/zinc/89/90/71/952899071.db2.gz FQXFLHQDHSBZKH-WCQYABFASA-N -1 1 381.444 1.124 20 0 GDADMM Cc1c(C(=O)N2C[C@H](C)[C@H](CNc3nccnc3-c3nn[n-]n3)C2)ccn1C ZINC001571184859 952899075 /nfs/dbraw/zinc/89/90/75/952899075.db2.gz FQXFLHQDHSBZKH-WCQYABFASA-N -1 1 381.444 1.124 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCCN(C(=O)[C@H](C)n3cccc3)C2)n1 ZINC001571186280 952907151 /nfs/dbraw/zinc/90/71/51/952907151.db2.gz VKPOXNHBMBJJNO-KBPBESRZSA-N -1 1 381.444 1.431 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCCN(C(=O)[C@H](C)n3cccc3)C2)n1 ZINC001571186280 952907157 /nfs/dbraw/zinc/90/71/57/952907157.db2.gz VKPOXNHBMBJJNO-KBPBESRZSA-N -1 1 381.444 1.431 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CCCC[C@@H]1[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001571186585 952907803 /nfs/dbraw/zinc/90/78/03/952907803.db2.gz XRUZEXHSIUYXGK-SWLSCSKDSA-N -1 1 381.444 1.789 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CCCC[C@@H]1[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001571186585 952907808 /nfs/dbraw/zinc/90/78/08/952907808.db2.gz XRUZEXHSIUYXGK-SWLSCSKDSA-N -1 1 381.444 1.789 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@H]2CN(C)c2cnc(-c3nnn[n-]3)cn2)c(C)[nH]1 ZINC001571188170 952912753 /nfs/dbraw/zinc/91/27/53/952912753.db2.gz HIDYIRPMILQUBC-ZDUSSCGKSA-N -1 1 381.444 1.343 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@H]2CN(C)c2cnc(-c3nn[n-]n3)cn2)c(C)[nH]1 ZINC001571188170 952912755 /nfs/dbraw/zinc/91/27/55/952912755.db2.gz HIDYIRPMILQUBC-ZDUSSCGKSA-N -1 1 381.444 1.343 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CCCC[C@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001571189289 952927645 /nfs/dbraw/zinc/92/76/45/952927645.db2.gz UMINPXDZKDCPNV-ZDUSSCGKSA-N -1 1 381.444 1.424 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CCCC[C@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001571189289 952927653 /nfs/dbraw/zinc/92/76/53/952927653.db2.gz UMINPXDZKDCPNV-ZDUSSCGKSA-N -1 1 381.444 1.424 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)CC2)n1C ZINC001571189535 952931253 /nfs/dbraw/zinc/93/12/53/952931253.db2.gz WXUINNQNHJSIGJ-CYBMUJFWSA-N -1 1 381.444 1.093 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)CC2)n1C ZINC001571189535 952931255 /nfs/dbraw/zinc/93/12/55/952931255.db2.gz WXUINNQNHJSIGJ-CYBMUJFWSA-N -1 1 381.444 1.093 20 0 GDADMM Cc1ccc(F)c(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571195481 952976438 /nfs/dbraw/zinc/97/64/38/952976438.db2.gz AKVFZQAVVLFIBQ-GFCCVEGCSA-N -1 1 382.403 1.503 20 0 GDADMM Cc1cc(F)cc(C(=O)N2CC[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571195773 952978690 /nfs/dbraw/zinc/97/86/90/952978690.db2.gz FVQDZCDUCAUQPU-LBPRGKRZSA-N -1 1 382.403 1.678 20 0 GDADMM Cc1cc(F)cc(C(=O)N2CC[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571195773 952978694 /nfs/dbraw/zinc/97/86/94/952978694.db2.gz FVQDZCDUCAUQPU-LBPRGKRZSA-N -1 1 382.403 1.678 20 0 GDADMM CN(C(=O)[C@@H](F)c1ccccc1)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571197179 952987103 /nfs/dbraw/zinc/98/71/03/952987103.db2.gz UAOTWQWYMSELIM-BBRMVZONSA-N -1 1 382.403 1.405 20 0 GDADMM CN(C(=O)[C@@H](F)c1ccccc1)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571197179 952987107 /nfs/dbraw/zinc/98/71/07/952987107.db2.gz UAOTWQWYMSELIM-BBRMVZONSA-N -1 1 382.403 1.405 20 0 GDADMM Cc1ccc(C(=O)NC[C@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c(F)c1 ZINC001571197318 952988178 /nfs/dbraw/zinc/98/81/78/952988178.db2.gz WIBHLMARTJKRRL-TXEJJXNPSA-N -1 1 382.403 1.725 20 0 GDADMM Cc1ccc(C(=O)NC[C@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c(F)c1 ZINC001571197318 952988185 /nfs/dbraw/zinc/98/81/85/952988185.db2.gz WIBHLMARTJKRRL-TXEJJXNPSA-N -1 1 382.403 1.725 20 0 GDADMM O=C(CCc1ccc(F)cc1)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571197412 952990113 /nfs/dbraw/zinc/99/01/13/952990113.db2.gz ZLLCNSXTXPZMAN-CQSZACIVSA-N -1 1 382.403 1.441 20 0 GDADMM O=C(CCc1ccc(F)cc1)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571197412 952990119 /nfs/dbraw/zinc/99/01/19/952990119.db2.gz ZLLCNSXTXPZMAN-CQSZACIVSA-N -1 1 382.403 1.441 20 0 GDADMM CCCc1occc1C(=O)N1CCC[C@@H](N=c2cc[nH]c(-c3nn[n-]n3)n2)C1 ZINC001571199726 953004331 /nfs/dbraw/zinc/00/43/31/953004331.db2.gz AITISTPEKUTOEC-GFCCVEGCSA-N -1 1 382.428 1.341 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)[C@@H](F)c1ccccc1 ZINC001571199774 953004405 /nfs/dbraw/zinc/00/44/05/953004405.db2.gz BPTISMBDWNPOEI-ZFWWWQNUSA-N -1 1 382.403 1.453 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C(C)(C)C1)c1ccco1 ZINC001571199796 953005436 /nfs/dbraw/zinc/00/54/36/953005436.db2.gz CHUVULXJWMVHMV-BXUZGUMPSA-N -1 1 382.428 1.702 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C(C)(C)C1)c1ccco1 ZINC001571199796 953005439 /nfs/dbraw/zinc/00/54/39/953005439.db2.gz CHUVULXJWMVHMV-BXUZGUMPSA-N -1 1 382.428 1.702 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CC[C@H](C)N(c3nccnc3-c3nnn[n-]3)C2)oc1C ZINC001571200554 953009592 /nfs/dbraw/zinc/00/95/92/953009592.db2.gz DLBYATHVKUASSM-AAEUAGOBSA-N -1 1 382.428 1.654 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CC[C@H](C)N(c3nccnc3-c3nn[n-]n3)C2)oc1C ZINC001571200554 953009597 /nfs/dbraw/zinc/00/95/97/953009597.db2.gz DLBYATHVKUASSM-AAEUAGOBSA-N -1 1 382.428 1.654 20 0 GDADMM Cc1coc(C)c1C(=O)N1CC[C@@H]([C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571201759 953020062 /nfs/dbraw/zinc/02/00/62/953020062.db2.gz NVFSHYPUZONMMF-DGCLKSJQSA-N -1 1 382.428 1.829 20 0 GDADMM Cc1coc(C)c1C(=O)N1CC[C@@H]([C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571201759 953020066 /nfs/dbraw/zinc/02/00/66/953020066.db2.gz NVFSHYPUZONMMF-DGCLKSJQSA-N -1 1 382.428 1.829 20 0 GDADMM O=C(c1ccc(CF)cc1)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571202148 953022922 /nfs/dbraw/zinc/02/29/22/953022922.db2.gz VUGMKBOSVRSSIT-CQSZACIVSA-N -1 1 382.403 1.843 20 0 GDADMM O=C(c1ccc(CF)cc1)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571202148 953022924 /nfs/dbraw/zinc/02/29/24/953022924.db2.gz VUGMKBOSVRSSIT-CQSZACIVSA-N -1 1 382.403 1.843 20 0 GDADMM Cc1ccc(CC(=O)N2CCCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)o1 ZINC001571202808 953029219 /nfs/dbraw/zinc/02/92/19/953029219.db2.gz YZJIFKIFVDYJDA-CYBMUJFWSA-N -1 1 382.428 1.016 20 0 GDADMM Cc1oc(C)c(C(=O)N2CCC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c1C ZINC001571206466 953050856 /nfs/dbraw/zinc/05/08/56/953050856.db2.gz PWLNJUAICRCQMN-CYBMUJFWSA-N -1 1 382.428 1.892 20 0 GDADMM Cc1oc(C)c(C(=O)N2CCC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c1C ZINC001571206466 953050859 /nfs/dbraw/zinc/05/08/59/953050859.db2.gz PWLNJUAICRCQMN-CYBMUJFWSA-N -1 1 382.428 1.892 20 0 GDADMM CCn1cc(C(=O)N[C@H]2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)CC2)cn1 ZINC001571207036 953059055 /nfs/dbraw/zinc/05/90/55/953059055.db2.gz LQYIFQMJCQKGLK-JOCQHMNTSA-N -1 1 382.432 1.026 20 0 GDADMM CCn1cc(C(=O)N[C@H]2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)CC2)cn1 ZINC001571207036 953059059 /nfs/dbraw/zinc/05/90/59/953059059.db2.gz LQYIFQMJCQKGLK-JOCQHMNTSA-N -1 1 382.432 1.026 20 0 GDADMM Cc1oc(C(C)C)cc1C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571207221 953061076 /nfs/dbraw/zinc/06/10/76/953061076.db2.gz XNTLGKFKOBSTIK-GFCCVEGCSA-N -1 1 382.428 1.690 20 0 GDADMM Cc1oc(C(C)C)cc1C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571207221 953061079 /nfs/dbraw/zinc/06/10/79/953061079.db2.gz XNTLGKFKOBSTIK-GFCCVEGCSA-N -1 1 382.428 1.690 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)c3ccn(C(C)C)n3)C2)n1 ZINC001571207310 953062141 /nfs/dbraw/zinc/06/21/41/953062141.db2.gz QINQONRPHGGXSZ-LBPRGKRZSA-N -1 1 382.432 1.069 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)c3ccn(C(C)C)n3)C2)n1 ZINC001571207310 953062146 /nfs/dbraw/zinc/06/21/46/953062146.db2.gz QINQONRPHGGXSZ-LBPRGKRZSA-N -1 1 382.432 1.069 20 0 GDADMM Cc1n[nH]cc1C(=O)N1CCCC[C@@H]1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001571207617 953065514 /nfs/dbraw/zinc/06/55/14/953065514.db2.gz YBKASKYWKOUSQI-GFCCVEGCSA-N -1 1 382.432 1.103 20 0 GDADMM Cc1n[nH]cc1C(=O)N1CCCC[C@@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001571207617 953065515 /nfs/dbraw/zinc/06/55/15/953065515.db2.gz YBKASKYWKOUSQI-GFCCVEGCSA-N -1 1 382.432 1.103 20 0 GDADMM O=C(Cc1ccsc1)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1 ZINC001571210148 953070932 /nfs/dbraw/zinc/07/09/32/953070932.db2.gz MIMMAVBCEUSDKF-UPJWGTAASA-N -1 1 382.453 1.187 20 0 GDADMM O=C(Cc1ccsc1)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1 ZINC001571210148 953070934 /nfs/dbraw/zinc/07/09/34/953070934.db2.gz MIMMAVBCEUSDKF-UPJWGTAASA-N -1 1 382.453 1.187 20 0 GDADMM O=C(N[C@@]12CCC[C@@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2)c1cccs1 ZINC001571210339 953071368 /nfs/dbraw/zinc/07/13/68/953071368.db2.gz PFTGZLMSZRDQKZ-YVEFUNNKSA-N -1 1 382.453 1.650 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001571211732 953080654 /nfs/dbraw/zinc/08/06/54/953080654.db2.gz DPOAFHXBLPRPQR-YUELXQCFSA-N -1 1 382.472 1.663 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2CC[C@H](C)C2)n1 ZINC001571211764 953080849 /nfs/dbraw/zinc/08/08/49/953080849.db2.gz FOPSXQVLHAUFLL-UPMLDKDTSA-N -1 1 382.472 1.342 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2CC[C@H](C)C2)n1 ZINC001571211764 953080851 /nfs/dbraw/zinc/08/08/51/953080851.db2.gz FOPSXQVLHAUFLL-UPMLDKDTSA-N -1 1 382.472 1.342 20 0 GDADMM Cc1nc(C)c(C(=O)N2CCC(C)(Nc3cnc(-c4nn[n-]n4)cn3)CC2)[nH]1 ZINC001571211920 953083188 /nfs/dbraw/zinc/08/31/88/953083188.db2.gz IOXHRUISRWWBJE-UHFFFAOYSA-N -1 1 382.432 1.103 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571212210 953086249 /nfs/dbraw/zinc/08/62/49/953086249.db2.gz JBCFGMCNHONWND-QUJCMNEKSA-N -1 1 382.472 1.743 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571212210 953086254 /nfs/dbraw/zinc/08/62/54/953086254.db2.gz JBCFGMCNHONWND-QUJCMNEKSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@H]1CN(C(=O)C(C2CC2)C2CC2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571212604 953089182 /nfs/dbraw/zinc/08/91/82/953089182.db2.gz NNJBRADOLWALBK-FZMZJTMJSA-N -1 1 382.472 1.599 20 0 GDADMM C[C@H]1CN(C(=O)C(C2CC2)C2CC2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571212604 953089188 /nfs/dbraw/zinc/08/91/88/953089188.db2.gz NNJBRADOLWALBK-FZMZJTMJSA-N -1 1 382.472 1.599 20 0 GDADMM C[C@@H]1C[C@H](NC(=O)C(C2CC2)C2CC2)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571213598 953096639 /nfs/dbraw/zinc/09/66/39/953096639.db2.gz SDJOSBRLBPXMNY-BXUZGUMPSA-N -1 1 382.472 1.566 20 0 GDADMM C[C@@H]1C[C@H](NC(=O)C(C2CC2)C2CC2)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571213598 953096640 /nfs/dbraw/zinc/09/66/40/953096640.db2.gz SDJOSBRLBPXMNY-BXUZGUMPSA-N -1 1 382.472 1.566 20 0 GDADMM CC1(C)CN(C(=O)C(C2CC2)C2CC2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571214369 953101588 /nfs/dbraw/zinc/10/15/88/953101588.db2.gz XYIDJGLWWDXRGM-CQSZACIVSA-N -1 1 382.472 1.742 20 0 GDADMM CC1(C)CN(C(=O)C(C2CC2)C2CC2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571214369 953101593 /nfs/dbraw/zinc/10/15/93/953101593.db2.gz XYIDJGLWWDXRGM-CQSZACIVSA-N -1 1 382.472 1.742 20 0 GDADMM O=C(CC1CCC1)N1CCC2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001571216924 953105707 /nfs/dbraw/zinc/10/57/07/953105707.db2.gz COCVLCVPIIGGGN-UHFFFAOYSA-N -1 1 382.472 1.666 20 0 GDADMM O=C(CC1CCC1)N1CCC2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001571216924 953105710 /nfs/dbraw/zinc/10/57/10/953105710.db2.gz COCVLCVPIIGGGN-UHFFFAOYSA-N -1 1 382.472 1.666 20 0 GDADMM O=C(NC[C@@H]1CCN1Cc1ccc(-c2nn[nH]n2)c(F)c1)c1ncccc1[O-] ZINC001571217872 953110828 /nfs/dbraw/zinc/11/08/28/953110828.db2.gz RCCPSZHCAOFMBR-LBPRGKRZSA-N -1 1 383.387 1.111 20 0 GDADMM O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCC(CCNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571217719 953110920 /nfs/dbraw/zinc/11/09/20/953110920.db2.gz JDGCFVKNTLGVOD-FICVDOATSA-N -1 1 382.472 1.743 20 0 GDADMM O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCC(CCNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571217719 953110922 /nfs/dbraw/zinc/11/09/22/953110922.db2.gz JDGCFVKNTLGVOD-FICVDOATSA-N -1 1 382.472 1.743 20 0 GDADMM O=C(N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2F)C1)c1ncccc1[O-] ZINC001571218310 953114089 /nfs/dbraw/zinc/11/40/89/953114089.db2.gz VVGKKKJPZATWEU-ZDUSSCGKSA-N -1 1 383.387 1.111 20 0 GDADMM O=C(CCC1CC1)N1CCC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CC[C@H]21 ZINC001571219058 953122169 /nfs/dbraw/zinc/12/21/69/953122169.db2.gz UCFXIPJFQGBRHC-GOEBONIOSA-N -1 1 382.472 1.664 20 0 GDADMM O=C(CCC1CC1)N1CCC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CC[C@H]21 ZINC001571219058 953122170 /nfs/dbraw/zinc/12/21/70/953122170.db2.gz UCFXIPJFQGBRHC-GOEBONIOSA-N -1 1 382.472 1.664 20 0 GDADMM O=C(c1ccncc1F)N1CCC(CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571219187 953123317 /nfs/dbraw/zinc/12/33/17/953123317.db2.gz LQOAWRJDQYLLFY-UHFFFAOYSA-N -1 1 383.391 1.155 20 0 GDADMM O=C(c1ccncc1F)N1CCC(CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571219187 953123320 /nfs/dbraw/zinc/12/33/20/953123320.db2.gz LQOAWRJDQYLLFY-UHFFFAOYSA-N -1 1 383.391 1.155 20 0 GDADMM O=C([C@@H]1C[C@H]1C1CCC1)N1CCC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571219136 953123714 /nfs/dbraw/zinc/12/37/14/953123714.db2.gz WDHSIYMFNZEDBX-AEGPPILISA-N -1 1 382.472 1.743 20 0 GDADMM O=C([C@@H]1C[C@H]1C1CCC1)N1CCC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571219136 953123717 /nfs/dbraw/zinc/12/37/17/953123717.db2.gz WDHSIYMFNZEDBX-AEGPPILISA-N -1 1 382.472 1.743 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)CC1)[C@]12C[C@H]1CCC2 ZINC001571219388 953125997 /nfs/dbraw/zinc/12/59/97/953125997.db2.gz YTGQILQHBDJSAT-QGDIXAPHSA-N -1 1 382.472 1.934 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)CC1)[C@]12C[C@H]1CCC2 ZINC001571219388 953125998 /nfs/dbraw/zinc/12/59/98/953125998.db2.gz YTGQILQHBDJSAT-QGDIXAPHSA-N -1 1 382.472 1.934 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571222289 953132989 /nfs/dbraw/zinc/13/29/89/953132989.db2.gz GCXNUAMSNBRYNW-PHIMTYICSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571222289 953132994 /nfs/dbraw/zinc/13/29/94/953132994.db2.gz GCXNUAMSNBRYNW-PHIMTYICSA-N -1 1 383.416 1.389 20 0 GDADMM CCc1cc(C(=O)N2CC[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)[C@H]2C)no1 ZINC001571222354 953134312 /nfs/dbraw/zinc/13/43/12/953134312.db2.gz GUXKWQGYMKEJKE-PWSUYJOCSA-N -1 1 383.416 1.231 20 0 GDADMM CCc1cc(C(=O)N2CC[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)[C@H]2C)no1 ZINC001571222354 953134313 /nfs/dbraw/zinc/13/43/13/953134313.db2.gz GUXKWQGYMKEJKE-PWSUYJOCSA-N -1 1 383.416 1.231 20 0 GDADMM CC(C)c1cc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)[C@H]2C)on1 ZINC001571222850 953140054 /nfs/dbraw/zinc/14/00/54/953140054.db2.gz MCBOUUGCGAHKMX-GHMZBOCLSA-N -1 1 383.416 1.483 20 0 GDADMM CC(C)c1cc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)[C@H]2C)on1 ZINC001571222850 953140055 /nfs/dbraw/zinc/14/00/55/953140055.db2.gz MCBOUUGCGAHKMX-GHMZBOCLSA-N -1 1 383.416 1.483 20 0 GDADMM CCCc1cc(C(=O)N2CCC[C@H]2CNc2nccnc2-c2nnn[n-]2)no1 ZINC001571223731 953146350 /nfs/dbraw/zinc/14/63/50/953146350.db2.gz UCTHURIJEWGEAU-NSHDSACASA-N -1 1 383.416 1.314 20 0 GDADMM CCCc1cc(C(=O)N2CCC[C@H]2CNc2nccnc2-c2nn[n-]n2)no1 ZINC001571223731 953146351 /nfs/dbraw/zinc/14/63/51/953146351.db2.gz UCTHURIJEWGEAU-NSHDSACASA-N -1 1 383.416 1.314 20 0 GDADMM Cc1ncoc1C(=O)N1C[C@H](C)[C@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571226927 953157821 /nfs/dbraw/zinc/15/78/21/953157821.db2.gz XBNRQVOSNZHHKZ-JOYOIKCWSA-N -1 1 383.416 1.082 20 0 GDADMM Cc1ncoc1C(=O)N1C[C@H](C)[C@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571226927 953157824 /nfs/dbraw/zinc/15/78/24/953157824.db2.gz XBNRQVOSNZHHKZ-JOYOIKCWSA-N -1 1 383.416 1.082 20 0 GDADMM Cc1nsc(N2C[C@@H](C)[C@H](NC(=O)[C@H]3CCC3(F)F)C2)c1-c1nn[n-]n1 ZINC001571229978 953173125 /nfs/dbraw/zinc/17/31/25/953173125.db2.gz PZTPGWDQPGQDDY-SZEHBUNVSA-N -1 1 383.428 1.618 20 0 GDADMM CC[C@@H](F)C(=O)N1CCCO[C@@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571230831 953180264 /nfs/dbraw/zinc/18/02/64/953180264.db2.gz LKBZXGAJLFRLNK-WDEREUQCSA-N -1 1 383.453 1.409 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C12CCC2)c1ccsn1 ZINC001571231191 953183460 /nfs/dbraw/zinc/18/34/60/953183460.db2.gz VATNJMNTSLSVTK-QWRGUYRKSA-N -1 1 383.441 1.266 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C12CCC2)c1ccsn1 ZINC001571231191 953183465 /nfs/dbraw/zinc/18/34/65/953183465.db2.gz VATNJMNTSLSVTK-QWRGUYRKSA-N -1 1 383.441 1.266 20 0 GDADMM Cc1nsc(N(C)[C@@H]2CCN(C(=O)Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC001571234353 953201425 /nfs/dbraw/zinc/20/14/25/953201425.db2.gz UZOGRCMLIAALPI-CQSZACIVSA-N -1 1 383.481 1.911 20 0 GDADMM O=C(C[C@H]1CCOC1)N[C@H]1C[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571234537 953203027 /nfs/dbraw/zinc/20/30/27/953203027.db2.gz BDKKGKOGMZAOPX-IWSPIJDZSA-N -1 1 383.865 1.462 20 0 GDADMM O=C(C[C@H]1CCOC1)N[C@H]1C[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571234537 953203028 /nfs/dbraw/zinc/20/30/28/953203028.db2.gz BDKKGKOGMZAOPX-IWSPIJDZSA-N -1 1 383.865 1.462 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001571234512 953203113 /nfs/dbraw/zinc/20/31/13/953203113.db2.gz AKFOCDVOJQUATN-SECBINFHSA-N -1 1 384.366 1.506 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001571234512 953203116 /nfs/dbraw/zinc/20/31/16/953203116.db2.gz AKFOCDVOJQUATN-SECBINFHSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571235121 953208375 /nfs/dbraw/zinc/20/83/75/953208375.db2.gz UKGCABKGFWWBFJ-XSPKLOCKSA-N -1 1 383.865 1.461 20 0 GDADMM C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571235121 953208379 /nfs/dbraw/zinc/20/83/79/953208379.db2.gz UKGCABKGFWWBFJ-XSPKLOCKSA-N -1 1 383.865 1.461 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2Cc3ccccc3[C@H]2O)cc1-c1nn[n-]n1 ZINC001571241468 953246370 /nfs/dbraw/zinc/24/63/70/953246370.db2.gz AFCCTOZSSFRHGI-CHWSQXEVSA-N -1 1 384.421 1.077 20 0 GDADMM Cc1cc(C(=O)N2CCCN(c3cnc(-c4nnn[n-]4)cn3)CC2)c(C)s1 ZINC001571244617 953265133 /nfs/dbraw/zinc/26/51/33/953265133.db2.gz CGIIDNNNIOLALB-UHFFFAOYSA-N -1 1 384.469 1.688 20 0 GDADMM Cc1cc(C(=O)N2CCCN(c3cnc(-c4nn[n-]n4)cn3)CC2)c(C)s1 ZINC001571244617 953265137 /nfs/dbraw/zinc/26/51/37/953265137.db2.gz CGIIDNNNIOLALB-UHFFFAOYSA-N -1 1 384.469 1.688 20 0 GDADMM Cc1cc(C)c(C(=O)N(C)[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)s1 ZINC001571244743 953266671 /nfs/dbraw/zinc/26/66/71/953266671.db2.gz HHGAFDOUMDMBFQ-GFCCVEGCSA-N -1 1 384.469 1.686 20 0 GDADMM Cc1cc(C)c(C(=O)N(C)[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)s1 ZINC001571244743 953266673 /nfs/dbraw/zinc/26/66/73/953266673.db2.gz HHGAFDOUMDMBFQ-GFCCVEGCSA-N -1 1 384.469 1.686 20 0 GDADMM Cc1cscc1C(=O)N1C[C@H](C)[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571245499 953274003 /nfs/dbraw/zinc/27/40/03/953274003.db2.gz SQNWTOWEHFRWGT-CMPLNLGQSA-N -1 1 384.469 1.847 20 0 GDADMM Cc1cscc1C(=O)N1C[C@H](C)[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571245499 953274005 /nfs/dbraw/zinc/27/40/05/953274005.db2.gz SQNWTOWEHFRWGT-CMPLNLGQSA-N -1 1 384.469 1.847 20 0 GDADMM CCc1ccc(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)s1 ZINC001571245647 953275049 /nfs/dbraw/zinc/27/50/49/953275049.db2.gz YAOVQPKTVZUQIZ-NSHDSACASA-N -1 1 384.469 1.679 20 0 GDADMM CCc1ccc(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)s1 ZINC001571245647 953275050 /nfs/dbraw/zinc/27/50/50/953275050.db2.gz YAOVQPKTVZUQIZ-NSHDSACASA-N -1 1 384.469 1.679 20 0 GDADMM Cc1sccc1CC(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC001571247568 953283520 /nfs/dbraw/zinc/28/35/20/953283520.db2.gz AJLXOZVUEKDISX-GWCFXTLKSA-N -1 1 384.469 1.671 20 0 GDADMM Cc1sccc1CC(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)[C@@H]1C ZINC001571247568 953283525 /nfs/dbraw/zinc/28/35/25/953283525.db2.gz AJLXOZVUEKDISX-GWCFXTLKSA-N -1 1 384.469 1.671 20 0 GDADMM Cc1scc(C(=O)N2CC[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)c1C ZINC001571247929 953288096 /nfs/dbraw/zinc/28/80/96/953288096.db2.gz IPWHACKQHPZDBS-LBPRGKRZSA-N -1 1 384.469 1.909 20 0 GDADMM Cc1scc(C(=O)N2CC[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)c1C ZINC001571247929 953288100 /nfs/dbraw/zinc/28/81/00/953288100.db2.gz IPWHACKQHPZDBS-LBPRGKRZSA-N -1 1 384.469 1.909 20 0 GDADMM CC[C@@H]1CCCC[C@@H]1C(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571249102 953300080 /nfs/dbraw/zinc/30/00/80/953300080.db2.gz DGEXPFYBRFGRSO-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM CC[C@@H]1CCCC[C@@H]1C(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571249102 953300086 /nfs/dbraw/zinc/30/00/86/953300086.db2.gz DGEXPFYBRFGRSO-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)C[C@@H]1C(=O)NC[C@H]1CCC(C)(C)CN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571250240 953308981 /nfs/dbraw/zinc/30/89/81/953308981.db2.gz OWDLCNDRJAMRKB-CHWSQXEVSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C[C@@H]1C(=O)NC[C@H]1CCC(C)(C)CN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571250240 953308984 /nfs/dbraw/zinc/30/89/84/953308984.db2.gz OWDLCNDRJAMRKB-CHWSQXEVSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)[C@]1(C)C[C@H]1C(=O)N1CCC(N(C)c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571250561 953311423 /nfs/dbraw/zinc/31/14/23/953311423.db2.gz QPNPAKZESFLXRR-LIRRHRJNSA-N -1 1 384.488 1.766 20 0 GDADMM CC(C)[C@]1(C)C[C@H]1C(=O)N1CCC(N(C)c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571250561 953311426 /nfs/dbraw/zinc/31/14/26/953311426.db2.gz QPNPAKZESFLXRR-LIRRHRJNSA-N -1 1 384.488 1.766 20 0 GDADMM C[C@H]1[C@H](NC(=O)CC2CC(C)(C)C2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571251176 953315885 /nfs/dbraw/zinc/31/58/85/953315885.db2.gz WSRPYMHQEADPDE-GXTWGEPZSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H]1[C@H](NC(=O)CC2CC(C)(C)C2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571251176 953315887 /nfs/dbraw/zinc/31/58/87/953315887.db2.gz WSRPYMHQEADPDE-GXTWGEPZSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1nccnc1-c1nnn[n-]1)C1CCCC1 ZINC001571251599 953318410 /nfs/dbraw/zinc/31/84/10/953318410.db2.gz ZTJZCLXKBOGTHB-UKRRQHHQSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1nccnc1-c1nn[n-]n1)C1CCCC1 ZINC001571251599 953318412 /nfs/dbraw/zinc/31/84/12/953318412.db2.gz ZTJZCLXKBOGTHB-UKRRQHHQSA-N -1 1 384.488 1.910 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@@H]2CCCCN2C(=O)C2CCCC2)n1 ZINC001571251875 953320445 /nfs/dbraw/zinc/32/04/45/953320445.db2.gz BYIHTLDHTMBZQC-HNNXBMFYSA-N -1 1 384.488 1.973 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@@H]2CCCCN2C(=O)C2CCCC2)n1 ZINC001571251875 953320447 /nfs/dbraw/zinc/32/04/47/953320447.db2.gz BYIHTLDHTMBZQC-HNNXBMFYSA-N -1 1 384.488 1.973 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)[C@H](C)C3CCC3)[C@H]2C)n1 ZINC001571251872 953320830 /nfs/dbraw/zinc/32/08/30/953320830.db2.gz BSVICSBANDZBHO-BZPMIXESSA-N -1 1 384.488 1.739 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)[C@H](C)C3CCC3)[C@H]2C)n1 ZINC001571251872 953320831 /nfs/dbraw/zinc/32/08/31/953320831.db2.gz BSVICSBANDZBHO-BZPMIXESSA-N -1 1 384.488 1.739 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@@H]2CCCN2C(=O)[C@@H](C)C2CCC2)n1 ZINC001571252039 953322835 /nfs/dbraw/zinc/32/28/35/953322835.db2.gz FWVGSYBQVUGBQU-ZFWWWQNUSA-N -1 1 384.488 1.829 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@@H]2CCCN2C(=O)[C@@H](C)C2CCC2)n1 ZINC001571252039 953322839 /nfs/dbraw/zinc/32/28/39/953322839.db2.gz FWVGSYBQVUGBQU-ZFWWWQNUSA-N -1 1 384.488 1.829 20 0 GDADMM CC[C@H]1CC[C@H](C(=O)N2CC[C@@H](N(C)c3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001571252122 953324487 /nfs/dbraw/zinc/32/44/87/953324487.db2.gz HYBHGHBIOVIOKZ-RBSFLKMASA-N -1 1 384.488 1.910 20 0 GDADMM CC[C@H]1CC[C@H](C(=O)N2CC[C@@H](N(C)c3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001571252122 953324493 /nfs/dbraw/zinc/32/44/93/953324493.db2.gz HYBHGHBIOVIOKZ-RBSFLKMASA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CC[C@H](C(=O)N[C@@H]2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571252434 953328827 /nfs/dbraw/zinc/32/88/27/953328827.db2.gz MOAPGXNFFJVQPG-KBUPBQIOSA-N -1 1 384.488 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/nfs/dbraw/zinc/19/65/56/532196556.db2.gz XWTFAUYVHZUXKO-UHFFFAOYSA-N -1 1 383.451 1.158 20 0 GDADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1)c1ccc2c(c1)CCO2 ZINC000274520106 532215568 /nfs/dbraw/zinc/21/55/68/532215568.db2.gz WXAFYCGTXBXIQS-HNNXBMFYSA-N -1 1 382.825 1.863 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc2c(cc1Br)NC(=O)CO2)c1nn[n-]n1 ZINC000274784502 532233563 /nfs/dbraw/zinc/23/35/63/532233563.db2.gz OPSJSYKJQPGNGA-ZETCQYMHSA-N -1 1 395.217 1.169 20 0 GDADMM COC(=O)c1ncsc1S(=O)(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000275015158 532253047 /nfs/dbraw/zinc/25/30/47/532253047.db2.gz NWHVGLMMCXOSKW-ONGXEEELSA-N -1 1 384.435 1.670 20 0 GDADMM CSc1nc(C)c(CCC(=O)N2CCC(C)(C)S(=O)(=O)CC2)c(=O)[n-]1 ZINC000333501041 532239114 /nfs/dbraw/zinc/23/91/14/532239114.db2.gz CSRSYPCKLPTRBJ-UHFFFAOYSA-N -1 1 387.527 1.571 20 0 GDADMM Cc1nc(S(=O)(=O)[N-]CCCNC(=O)C2CCC2)c(Br)n1C ZINC000288108848 532264041 /nfs/dbraw/zinc/26/40/41/532264041.db2.gz LKEAAQYIFDQQKM-UHFFFAOYSA-N -1 1 393.307 1.076 20 0 GDADMM Cn1cnc(S(=O)(=O)[N-]CC2=CCN(C(=O)OC(C)(C)C)CC2)c1Cl ZINC000275201279 532276270 /nfs/dbraw/zinc/27/62/70/532276270.db2.gz QLUIUCSBJSQNGO-UHFFFAOYSA-N -1 1 390.893 1.919 20 0 GDADMM CC[C@H]1[C@H](C)CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(C)n1 ZINC000349452122 532286653 /nfs/dbraw/zinc/28/66/53/532286653.db2.gz CVSMKXFKTZLRMS-HIFRSBDPSA-N -1 1 389.543 1.972 20 0 GDADMM CC(C)[C@@H]1CCN1S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC(F)F ZINC000349454957 532287964 /nfs/dbraw/zinc/28/79/64/532287964.db2.gz QFTJMGLEQLUIAO-NSHDSACASA-N -1 1 382.454 1.649 20 0 GDADMM CC[C@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCO1)C(F)F ZINC000349458991 532291550 /nfs/dbraw/zinc/29/15/50/532291550.db2.gz UMCVEFYXKIEIHW-JTQLQIEISA-N -1 1 384.426 1.335 20 0 GDADMM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000392726931 532299783 /nfs/dbraw/zinc/29/97/83/532299783.db2.gz SUGGHQOJLDCJSE-UHFFFAOYSA-N -1 1 388.398 1.432 20 0 GDADMM CSc1nnc(C[N-]S(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)s1 ZINC000275664941 532304390 /nfs/dbraw/zinc/30/43/90/532304390.db2.gz WENIAGFHYSHWRL-UHFFFAOYSA-N -1 1 397.500 1.281 20 0 GDADMM O=S(=O)([N-]CC(F)F)c1ccccc1S(=O)(=O)N1C[C@@H]2CCCC[C@@H]21 ZINC000349458010 532290463 /nfs/dbraw/zinc/29/04/63/532290463.db2.gz SVVHSJVDBPNASP-RYUDHWBXSA-N -1 1 394.465 1.793 20 0 GDADMM CC(C)(C)[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccccn2)C1 ZINC000349458147 532290624 /nfs/dbraw/zinc/29/06/24/532290624.db2.gz LJIKVQKIRKWMFB-CQSZACIVSA-N -1 1 389.543 1.911 20 0 GDADMM CCO[C@@H]1C[C@@]([N-]S(=O)(=O)c2c(C)nn(C)c2Cl)(C(=O)OC)C1(C)C ZINC000275988969 532317054 /nfs/dbraw/zinc/31/70/54/532317054.db2.gz PXXCPPJXYBPHRL-MEBBXXQBSA-N -1 1 393.893 1.407 20 0 GDADMM Cc1onc(N)c1S(=O)(=O)[N-]Cc1nnc2ccc(C(F)(F)F)cn21 ZINC000289322546 532321450 /nfs/dbraw/zinc/32/14/50/532321450.db2.gz LAOUORBTJUTKEH-UHFFFAOYSA-N -1 1 376.320 1.105 20 0 GDADMM COC[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCO1 ZINC000289937903 532334408 /nfs/dbraw/zinc/33/44/08/532334408.db2.gz CGBFYEOQCCRPMS-JTQLQIEISA-N -1 1 397.280 1.146 20 0 GDADMM O=S(=O)([N-]CCCn1cc(CO)nn1)c1c(Cl)cccc1C(F)(F)F ZINC000290074789 532336285 /nfs/dbraw/zinc/33/62/85/532336285.db2.gz CSFJEBHJCXATSR-UHFFFAOYSA-N -1 1 398.794 1.811 20 0 GDADMM COc1ccc(C(=O)N2CCN(C(=O)c3nc4ccccc4c(=O)[n-]3)CC2)cc1 ZINC000019731051 210292097 /nfs/dbraw/zinc/29/20/97/210292097.db2.gz WHKZZAVJONCTSG-UHFFFAOYSA-N -1 1 392.415 1.530 20 0 GDADMM COCCCN(CCOC)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736982524 598874564 /nfs/dbraw/zinc/87/45/64/598874564.db2.gz YGTKVLOINPWJOL-UHFFFAOYSA-N -1 1 389.865 1.194 20 0 GDADMM COCCCN(CCOC)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736982524 598874566 /nfs/dbraw/zinc/87/45/66/598874566.db2.gz YGTKVLOINPWJOL-UHFFFAOYSA-N -1 1 389.865 1.194 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)Nc2ccn(-c3ccncc3)n2)cc1-c1nnn[n-]1 ZINC000737187743 598878671 /nfs/dbraw/zinc/87/86/71/598878671.db2.gz TUYOBMJEENITKG-UHFFFAOYSA-N -1 1 395.408 1.522 20 0 GDADMM CCOC(=O)NCC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000736601190 598891550 /nfs/dbraw/zinc/89/15/50/598891550.db2.gz SPVBHPJOBNBSFJ-UHFFFAOYSA-N -1 1 386.437 1.958 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1cnc2cc(F)c(F)cc2n1 ZINC000736798349 598895994 /nfs/dbraw/zinc/89/59/94/598895994.db2.gz WNRKBQKTWYAUQL-UHFFFAOYSA-N -1 1 386.370 1.462 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCCc2ccc3c(c2)CCO3)cc1-c1nn[n-]n1 ZINC000737187054 598922228 /nfs/dbraw/zinc/92/22/28/598922228.db2.gz OKCSCDGGPNEXAC-UHFFFAOYSA-N -1 1 398.448 1.597 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@](C)(O)c1ccccc1 ZINC000737201801 598922651 /nfs/dbraw/zinc/92/26/51/598922651.db2.gz WLFNJCHPMGOTOH-FQEVSTJZSA-N -1 1 396.451 1.541 20 0 GDADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1cccc([S@](C)=O)c1 ZINC000737225231 598950573 /nfs/dbraw/zinc/95/05/73/598950573.db2.gz LMCGAKYVYIPRKI-DEOSSOPVSA-N -1 1 377.451 1.713 20 0 GDADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NCc1ccc(N2CCOCC2)nc1 ZINC000738437447 598957118 /nfs/dbraw/zinc/95/71/18/598957118.db2.gz PSVXQBPVFPZZHU-UHFFFAOYSA-N -1 1 389.423 1.654 20 0 GDADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NCc1ccc(N2CCOCC2)nc1 ZINC000738437447 598957119 /nfs/dbraw/zinc/95/71/19/598957119.db2.gz PSVXQBPVFPZZHU-UHFFFAOYSA-N -1 1 389.423 1.654 20 0 GDADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1CCC(c2nnc3n2CCC3)CC1 ZINC000738433386 598960800 /nfs/dbraw/zinc/96/08/00/598960800.db2.gz RXUOYPJIPCUWNV-UHFFFAOYSA-N -1 1 388.439 1.732 20 0 GDADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1CCC(c2nnc3n2CCC3)CC1 ZINC000738433386 598960802 /nfs/dbraw/zinc/96/08/02/598960802.db2.gz RXUOYPJIPCUWNV-UHFFFAOYSA-N -1 1 388.439 1.732 20 0 GDADMM CC(C)C(=O)NC[C@@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000735684510 598965257 /nfs/dbraw/zinc/96/52/57/598965257.db2.gz DWGMALQDHRBGGM-ZDUSSCGKSA-N -1 1 380.456 1.799 20 0 GDADMM CC(C)C(=O)NC[C@@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000735684510 598965258 /nfs/dbraw/zinc/96/52/58/598965258.db2.gz DWGMALQDHRBGGM-ZDUSSCGKSA-N -1 1 380.456 1.799 20 0 GDADMM CC(C)c1nc([C@@H]2CN(c3c4ccccc4nnc3-c3nnn[n-]3)CCO2)no1 ZINC000735939404 598962900 /nfs/dbraw/zinc/96/29/00/598962900.db2.gz IFMRPAVPMMFZCK-ZDUSSCGKSA-N -1 1 393.411 1.894 20 0 GDADMM CC(C)c1nc([C@@H]2CN(c3c4ccccc4nnc3-c3nn[n-]n3)CCO2)no1 ZINC000735939404 598962902 /nfs/dbraw/zinc/96/29/02/598962902.db2.gz IFMRPAVPMMFZCK-ZDUSSCGKSA-N -1 1 393.411 1.894 20 0 GDADMM CC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735892377 598981385 /nfs/dbraw/zinc/98/13/85/598981385.db2.gz HBZVGIJKPWJMDE-UHFFFAOYSA-N -1 1 387.425 1.201 20 0 GDADMM CC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735892377 598981386 /nfs/dbraw/zinc/98/13/86/598981386.db2.gz HBZVGIJKPWJMDE-UHFFFAOYSA-N -1 1 387.425 1.201 20 0 GDADMM CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736511122 598981511 /nfs/dbraw/zinc/98/15/11/598981511.db2.gz OWUNOMIIVCKJEA-UHFFFAOYSA-N -1 1 381.396 1.371 20 0 GDADMM CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736511122 598981512 /nfs/dbraw/zinc/98/15/12/598981512.db2.gz OWUNOMIIVCKJEA-UHFFFAOYSA-N -1 1 381.396 1.371 20 0 GDADMM COC(=O)c1cc(-c2csc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)n2)c[nH]1 ZINC000736941086 598986705 /nfs/dbraw/zinc/98/67/05/598986705.db2.gz OINFJNRUYOZPHS-UHFFFAOYSA-N -1 1 396.392 1.752 20 0 GDADMM COC(=O)c1cc(-c2csc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)n2)c[nH]1 ZINC000736941086 598986707 /nfs/dbraw/zinc/98/67/07/598986707.db2.gz OINFJNRUYOZPHS-UHFFFAOYSA-N -1 1 396.392 1.752 20 0 GDADMM COC(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736947249 598986871 /nfs/dbraw/zinc/98/68/71/598986871.db2.gz HLEGCSHAVXSXKC-UHFFFAOYSA-N -1 1 393.407 1.901 20 0 GDADMM COC(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736947249 598986872 /nfs/dbraw/zinc/98/68/72/598986872.db2.gz HLEGCSHAVXSXKC-UHFFFAOYSA-N -1 1 393.407 1.901 20 0 GDADMM O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000737994864 599000623 /nfs/dbraw/zinc/00/06/23/599000623.db2.gz HQFMGEYKLIMWBT-KRWDZBQOSA-N -1 1 391.435 1.225 20 0 GDADMM O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000737994864 599000625 /nfs/dbraw/zinc/00/06/25/599000625.db2.gz HQFMGEYKLIMWBT-KRWDZBQOSA-N -1 1 391.435 1.225 20 0 GDADMM O=C(NCc1ccc(NC(=O)C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738103882 599000870 /nfs/dbraw/zinc/00/08/70/599000870.db2.gz PMFFPVWQCNRAFO-UHFFFAOYSA-N -1 1 391.313 1.693 20 0 GDADMM O=C(NCc1ccc(NC(=O)C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738103882 599000872 /nfs/dbraw/zinc/00/08/72/599000872.db2.gz PMFFPVWQCNRAFO-UHFFFAOYSA-N -1 1 391.313 1.693 20 0 GDADMM CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000735466671 599003714 /nfs/dbraw/zinc/00/37/14/599003714.db2.gz WVRQEYCSCDFWSG-SFHVURJKSA-N -1 1 397.483 1.905 20 0 GDADMM CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000735466671 599003715 /nfs/dbraw/zinc/00/37/15/599003715.db2.gz WVRQEYCSCDFWSG-SFHVURJKSA-N -1 1 397.483 1.905 20 0 GDADMM Cc1oc(NC(=O)COC(=O)[C@H](O)CCc2ccccc2)c(-c2nn[n-]n2)c1C ZINC000737553366 599017426 /nfs/dbraw/zinc/01/74/26/599017426.db2.gz USZDAOAKTHREPI-CQSZACIVSA-N -1 1 399.407 1.552 20 0 GDADMM C[S@](=O)Cc1cccc([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000737172311 599018287 /nfs/dbraw/zinc/01/82/87/599018287.db2.gz JDWJOCRPZXCGIV-DEOSSOPVSA-N -1 1 377.451 1.546 20 0 GDADMM CN(C(=O)c1ccc(-c2nnn[n-]2)nc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000736747705 599022622 /nfs/dbraw/zinc/02/26/22/599022622.db2.gz HMVBSRWDTVNRHK-UHFFFAOYSA-N -1 1 387.444 1.733 20 0 GDADMM CN(C(=O)c1ccc(-c2nn[n-]n2)nc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000736747705 599022624 /nfs/dbraw/zinc/02/26/24/599022624.db2.gz HMVBSRWDTVNRHK-UHFFFAOYSA-N -1 1 387.444 1.733 20 0 GDADMM CCCc1ccc([C@@H](C)N(CC(N)=O)C(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736497123 599025459 /nfs/dbraw/zinc/02/54/59/599025459.db2.gz OOUQLEGPSKZXAZ-CYBMUJFWSA-N -1 1 393.451 1.903 20 0 GDADMM CCCc1ccc([C@@H](C)N(CC(N)=O)C(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736497123 599025461 /nfs/dbraw/zinc/02/54/61/599025461.db2.gz OOUQLEGPSKZXAZ-CYBMUJFWSA-N -1 1 393.451 1.903 20 0 GDADMM Cn1[nH]c(-c2ccccc2)c2c(NC(=O)c3ccc(-c4nnn[n-]4)nc3)nnc1-2 ZINC000737617816 599037876 /nfs/dbraw/zinc/03/78/76/599037876.db2.gz CDEGWWSNOIWEBK-UHFFFAOYSA-N -1 1 386.379 1.791 20 0 GDADMM Cn1[nH]c(-c2ccccc2)c2c(NC(=O)c3ccc(-c4nn[n-]n4)nc3)nnc1-2 ZINC000737617816 599037879 /nfs/dbraw/zinc/03/78/79/599037879.db2.gz CDEGWWSNOIWEBK-UHFFFAOYSA-N -1 1 386.379 1.791 20 0 GDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000737776354 599055038 /nfs/dbraw/zinc/05/50/38/599055038.db2.gz LFWYJWDDQZWTLR-DTWKUNHWSA-N -1 1 379.302 1.988 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCN(c2ncnc3ccsc32)CC1 ZINC000738258171 599083657 /nfs/dbraw/zinc/08/36/57/599083657.db2.gz GYSZLGVGDHAGIT-UHFFFAOYSA-N -1 1 393.436 1.229 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCN(c2ncnc3ccsc32)CC1 ZINC000738258171 599083659 /nfs/dbraw/zinc/08/36/59/599083659.db2.gz GYSZLGVGDHAGIT-UHFFFAOYSA-N -1 1 393.436 1.229 20 0 GDADMM C[C@H](C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1)c1ccco1 ZINC000735525314 599099083 /nfs/dbraw/zinc/09/90/83/599099083.db2.gz LJMQWWUPYMYMBD-NSHDSACASA-N -1 1 383.412 1.777 20 0 GDADMM CCCCOC(=O)[C@@H](C)OC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000736461476 599116915 /nfs/dbraw/zinc/11/69/15/599116915.db2.gz REAUJJMDWIGNNM-GFCCVEGCSA-N -1 1 391.428 1.792 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000736159569 599133931 /nfs/dbraw/zinc/13/39/31/599133931.db2.gz WQYVQWCGHKTLIG-QWRGUYRKSA-N -1 1 384.371 1.824 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000736159569 599133933 /nfs/dbraw/zinc/13/39/33/599133933.db2.gz WQYVQWCGHKTLIG-QWRGUYRKSA-N -1 1 384.371 1.824 20 0 GDADMM Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737422940 599141465 /nfs/dbraw/zinc/14/14/65/599141465.db2.gz PQTNNWSUVAEKHO-QWHCGFSZSA-N -1 1 380.408 1.993 20 0 GDADMM Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737422940 599141466 /nfs/dbraw/zinc/14/14/66/599141466.db2.gz PQTNNWSUVAEKHO-QWHCGFSZSA-N -1 1 380.408 1.993 20 0 GDADMM O=C(OCCCS(=O)(=O)c1ccc(F)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738222527 599142503 /nfs/dbraw/zinc/14/25/03/599142503.db2.gz PJGOXVGWIHRZII-UHFFFAOYSA-N -1 1 391.384 1.422 20 0 GDADMM O=C(OCCCS(=O)(=O)c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738222527 599142505 /nfs/dbraw/zinc/14/25/05/599142505.db2.gz PJGOXVGWIHRZII-UHFFFAOYSA-N -1 1 391.384 1.422 20 0 GDADMM Cc1nc(C)c(-c2nn[n-]n2)c(SCc2csc(CS(C)(=O)=O)n2)n1 ZINC000737470249 599162267 /nfs/dbraw/zinc/16/22/67/599162267.db2.gz GEPONXPPLWIVMJ-UHFFFAOYSA-N -1 1 397.511 1.567 20 0 GDADMM COCC[S@](=O)Cc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737013477 599197266 /nfs/dbraw/zinc/19/72/66/599197266.db2.gz ITQKGZQSAIBYIY-MHZLTWQESA-N -1 1 386.437 1.409 20 0 GDADMM COCC[S@](=O)Cc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737013477 599197268 /nfs/dbraw/zinc/19/72/68/599197268.db2.gz ITQKGZQSAIBYIY-MHZLTWQESA-N -1 1 386.437 1.409 20 0 GDADMM CC[C@H]1CN(C(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)CCS1 ZINC000820988296 599213406 /nfs/dbraw/zinc/21/34/06/599213406.db2.gz DVJBNGIWJFHDTN-LBPRGKRZSA-N -1 1 376.486 1.871 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)O[C@@H]1Cc2ccccc2C1=O ZINC000822010335 607261545 /nfs/dbraw/zinc/26/15/45/607261545.db2.gz YLPURKDQRDMGGI-OAHLLOKOSA-N -1 1 393.403 1.868 20 0 GDADMM Cc1ccc(N2CCC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)nc3)C2=O)cc1 ZINC000737350257 599231810 /nfs/dbraw/zinc/23/18/10/599231810.db2.gz DTEFKRIZJBLANK-MRXNPFEDSA-N -1 1 377.408 1.496 20 0 GDADMM Cc1ccc(N2CCC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)nc3)C2=O)cc1 ZINC000737350257 599231812 /nfs/dbraw/zinc/23/18/12/599231812.db2.gz DTEFKRIZJBLANK-MRXNPFEDSA-N -1 1 377.408 1.496 20 0 GDADMM O=C(O[C@@H]1CCNC1=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000823397314 607262545 /nfs/dbraw/zinc/26/25/45/607262545.db2.gz VDQPQIVLVWWWOJ-CQSZACIVSA-N -1 1 383.339 1.843 20 0 GDADMM O=C(O[C@@H]1CCNC1=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000823397314 607262546 /nfs/dbraw/zinc/26/25/46/607262546.db2.gz VDQPQIVLVWWWOJ-CQSZACIVSA-N -1 1 383.339 1.843 20 0 GDADMM Nc1n[nH]c(CCCNC(=S)N[C@@H]2CCc3ccccc3C2)c1-c1nnn[n-]1 ZINC000822899859 599226645 /nfs/dbraw/zinc/22/66/45/599226645.db2.gz WGQQNGYOBZXFND-CYBMUJFWSA-N -1 1 397.512 1.126 20 0 GDADMM Nc1n[nH]c(CCCNC(=S)N[C@@H]2CCc3ccccc3C2)c1-c1nn[n-]n1 ZINC000822899859 599226650 /nfs/dbraw/zinc/22/66/50/599226650.db2.gz WGQQNGYOBZXFND-CYBMUJFWSA-N -1 1 397.512 1.126 20 0 GDADMM CCC[C@@](C)(O)C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000821008137 607265238 /nfs/dbraw/zinc/26/52/38/607265238.db2.gz HIWOHOBQZZIDGX-GOSISDBHSA-N -1 1 399.411 1.085 20 0 GDADMM CCC[C@@](C)(O)C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000821008137 607265239 /nfs/dbraw/zinc/26/52/39/607265239.db2.gz HIWOHOBQZZIDGX-GOSISDBHSA-N -1 1 399.411 1.085 20 0 GDADMM CCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN(C)CCC(=O)[O-] ZINC000262622044 596997380 /nfs/dbraw/zinc/99/73/80/596997380.db2.gz FFUFMPMBODSDBL-UHFFFAOYSA-N -1 1 382.486 1.603 20 0 GDADMM C[C@H](NC(=O)CNC(=O)CN1CCC[C@H](CC(=O)[O-])C1)c1ccc(F)cc1 ZINC000532881135 597069618 /nfs/dbraw/zinc/06/96/18/597069618.db2.gz IQZMKSPHVHSUKJ-UONOGXRCSA-N -1 1 379.432 1.306 20 0 GDADMM COc1ccc(C)cc1NC(=O)CNC(=O)CN1CCC[C@@H](CC(=O)[O-])C1 ZINC000532882056 597083050 /nfs/dbraw/zinc/08/30/50/597083050.db2.gz XDDISYMGYARBRR-AWEZNQCLSA-N -1 1 377.441 1.245 20 0 GDADMM CC(C)[C@@H](NC(=O)C(=O)Nc1ccccc1CN1CCSCC1)C(=O)[O-] ZINC000817926096 597219387 /nfs/dbraw/zinc/21/93/87/597219387.db2.gz MAXWOUSEKKCVNG-OAHLLOKOSA-N -1 1 379.482 1.399 20 0 GDADMM C[C@@H](NC(=O)C(=O)Nc1ccc(NC(=O)CN2CCCCCC2)cc1)C(=O)[O-] ZINC000659065349 597516120 /nfs/dbraw/zinc/51/61/20/597516120.db2.gz WMQCUMDQGVPORL-CYBMUJFWSA-N -1 1 390.440 1.029 20 0 GDADMM C[C@@H](NC(=O)C(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1)C(=O)[O-] ZINC000659063175 597519248 /nfs/dbraw/zinc/51/92/48/597519248.db2.gz UBOKKSBCADLDLB-CYBMUJFWSA-N -1 1 390.440 1.029 20 0 GDADMM CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CN1CC[C@@H](C(=O)[O-])C1 ZINC000818394655 597531664 /nfs/dbraw/zinc/53/16/64/597531664.db2.gz KMUVGTOGIFKXLT-LLVKDONJSA-N -1 1 387.358 1.509 20 0 GDADMM CC(=O)NCCN(C(=O)c1cc(-c2ccccc2Cl)[nH]n1)[C@H](C)C(=O)[O-] ZINC000262276194 597690863 /nfs/dbraw/zinc/69/08/63/597690863.db2.gz VVKLDBLSRXGSHL-SNVBAGLBSA-N -1 1 378.816 1.782 20 0 GDADMM CCN(CC)C(=O)N1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000736530081 599272783 /nfs/dbraw/zinc/27/27/83/599272783.db2.gz WFVKZUZMLRVWNX-UHFFFAOYSA-N -1 1 380.456 1.999 20 0 GDADMM CCN(CC)C(=O)N1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000736530081 599272784 /nfs/dbraw/zinc/27/27/84/599272784.db2.gz WFVKZUZMLRVWNX-UHFFFAOYSA-N -1 1 380.456 1.999 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N(C[C@H]2CCOC2)C2CC2)cc1-c1nn[n-]n1 ZINC000821970822 607324903 /nfs/dbraw/zinc/32/49/03/607324903.db2.gz SUDYCQQNMAVWGV-SECBINFHSA-N -1 1 376.442 1.330 20 0 GDADMM CC(C)(C)NC(=O)CN1CCC(CNC(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC000569811395 598157737 /nfs/dbraw/zinc/15/77/37/598157737.db2.gz ZOYBBYFALFQQLD-UHFFFAOYSA-N -1 1 375.469 1.741 20 0 GDADMM CCOC(=O)c1ccccc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736601814 598259604 /nfs/dbraw/zinc/25/96/04/598259604.db2.gz FCASKEMHTHGUOV-UHFFFAOYSA-N -1 1 375.366 1.206 20 0 GDADMM CCOC(=O)c1ccccc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736601814 598259605 /nfs/dbraw/zinc/25/96/05/598259605.db2.gz FCASKEMHTHGUOV-UHFFFAOYSA-N -1 1 375.366 1.206 20 0 GDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000737488289 598261156 /nfs/dbraw/zinc/26/11/56/598261156.db2.gz NUSXZVSKGFNSND-UHFFFAOYSA-N -1 1 382.359 1.552 20 0 GDADMM COc1ccc([C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1F ZINC000737075734 598262366 /nfs/dbraw/zinc/26/23/66/598262366.db2.gz OLXATWVFEIBWLZ-SECBINFHSA-N -1 1 378.389 1.449 20 0 GDADMM COc1ccc([C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1F ZINC000737075734 598262367 /nfs/dbraw/zinc/26/23/67/598262367.db2.gz OLXATWVFEIBWLZ-SECBINFHSA-N -1 1 378.389 1.449 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000738352905 598263091 /nfs/dbraw/zinc/26/30/91/598263091.db2.gz BWHPVJWTJDKXOP-OAHLLOKOSA-N -1 1 396.436 1.664 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000738352905 598263092 /nfs/dbraw/zinc/26/30/92/598263092.db2.gz BWHPVJWTJDKXOP-OAHLLOKOSA-N -1 1 396.436 1.664 20 0 GDADMM Cc1ccc(OCCCCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737366943 598265580 /nfs/dbraw/zinc/26/55/80/598265580.db2.gz WZGXNUWJLCRRCS-UHFFFAOYSA-N -1 1 388.453 1.708 20 0 GDADMM Cc1ccc(OCCCCNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737366943 598265582 /nfs/dbraw/zinc/26/55/82/598265582.db2.gz WZGXNUWJLCRRCS-UHFFFAOYSA-N -1 1 388.453 1.708 20 0 GDADMM COc1ccc(CC[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737089270 598268721 /nfs/dbraw/zinc/26/87/21/598268721.db2.gz WTEGRZXLWJVAAR-GFCCVEGCSA-N -1 1 388.453 1.570 20 0 GDADMM COc1ccc(CC[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737089270 598268722 /nfs/dbraw/zinc/26/87/22/598268722.db2.gz WTEGRZXLWJVAAR-GFCCVEGCSA-N -1 1 388.453 1.570 20 0 GDADMM COc1ccc(OCCCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737109614 598268806 /nfs/dbraw/zinc/26/88/06/598268806.db2.gz KCZXBYYQZIZNBH-UHFFFAOYSA-N -1 1 390.425 1.018 20 0 GDADMM COc1ccc(OCCCNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737109614 598268808 /nfs/dbraw/zinc/26/88/08/598268808.db2.gz KCZXBYYQZIZNBH-UHFFFAOYSA-N -1 1 390.425 1.018 20 0 GDADMM CCOc1ccccc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000736655420 598345726 /nfs/dbraw/zinc/34/57/26/598345726.db2.gz RWDCLQQCFHMHGO-UHFFFAOYSA-N -1 1 380.412 1.018 20 0 GDADMM CCOc1ccccc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000736655420 598345727 /nfs/dbraw/zinc/34/57/27/598345727.db2.gz RWDCLQQCFHMHGO-UHFFFAOYSA-N -1 1 380.412 1.018 20 0 GDADMM CCc1cccc(OC[C@@H](O)Cn2nc(CC)c(CC)c(-c3nn[n-]n3)c2=O)c1 ZINC000736700484 598374250 /nfs/dbraw/zinc/37/42/50/598374250.db2.gz SPFQMZBEPRLXCX-AWEZNQCLSA-N -1 1 398.467 1.551 20 0 GDADMM CCc1nn(C[C@@H](O)c2cc(F)ccc2F)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706412 598374331 /nfs/dbraw/zinc/37/43/31/598374331.db2.gz WCZKTTOMJBOFBD-CQSZACIVSA-N -1 1 376.367 1.560 20 0 GDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)C1CCN(c2nc3ccccc3s2)CC1 ZINC000737777275 598472238 /nfs/dbraw/zinc/47/22/38/598472238.db2.gz SKFMVGLQXNYRPS-UHFFFAOYSA-N -1 1 395.452 1.812 20 0 GDADMM CCc1nc(CNC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)cs1 ZINC000736704548 598474358 /nfs/dbraw/zinc/47/43/58/598474358.db2.gz QTULOUAZYISSIW-UHFFFAOYSA-N -1 1 377.455 1.638 20 0 GDADMM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000360960863 598509708 /nfs/dbraw/zinc/50/97/08/598509708.db2.gz ILYSHIZBCHQVLC-UHFFFAOYSA-N -1 1 384.421 1.794 20 0 GDADMM CS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000737173737 598512881 /nfs/dbraw/zinc/51/28/81/598512881.db2.gz MZIMFJDJMWJERH-UHFFFAOYSA-N -1 1 379.423 1.071 20 0 GDADMM Cc1nn(-c2ccccc2)c(COC(=O)CCN2CCCC2=O)c1-c1nn[n-]n1 ZINC000737504317 598533059 /nfs/dbraw/zinc/53/30/59/598533059.db2.gz SOKNIZRQKAVXCS-UHFFFAOYSA-N -1 1 395.423 1.417 20 0 GDADMM Cc1c(C(=O)n2ncc(-c3nn[n-]n3)c2N)nnn1-c1ccc(F)c(Cl)c1 ZINC000737209318 598542033 /nfs/dbraw/zinc/54/20/33/598542033.db2.gz MMVICIQRZTXOHG-UHFFFAOYSA-N -1 1 388.754 1.016 20 0 GDADMM COc1ccc(-c2nn[nH]n2)cc1NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000737056234 598567092 /nfs/dbraw/zinc/56/70/92/598567092.db2.gz AFOMHBFIUJLPBX-UHFFFAOYSA-N -1 1 394.395 1.422 20 0 GDADMM Cc1nc(Cc2noc(CCc3c(C)[nH]c(=O)c(-c4nn[n-]n4)c3C)n2)no1 ZINC000737476860 598608772 /nfs/dbraw/zinc/60/87/72/598608772.db2.gz GWDXQYICEKWPAD-UHFFFAOYSA-N -1 1 383.372 1.035 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000737546823 598614217 /nfs/dbraw/zinc/61/42/17/598614217.db2.gz HXPBKFBIDAKGGH-CYBMUJFWSA-N -1 1 393.411 1.628 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000737546823 598614219 /nfs/dbraw/zinc/61/42/19/598614219.db2.gz HXPBKFBIDAKGGH-CYBMUJFWSA-N -1 1 393.411 1.628 20 0 GDADMM CCc1nn(Cc2nc(-c3ccsc3)no2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705922 598642270 /nfs/dbraw/zinc/64/22/70/598642270.db2.gz COIUTJQUIKVROG-UHFFFAOYSA-N -1 1 384.425 1.708 20 0 GDADMM O=C(Cn1cccc(-c2nn[n-]n2)c1=O)N(Cc1ccco1)CC(F)(F)F ZINC000737987379 598677909 /nfs/dbraw/zinc/67/79/09/598677909.db2.gz XOWMNQOAPUWURK-UHFFFAOYSA-N -1 1 382.302 1.213 20 0 GDADMM COC(=O)c1ccccc1OS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736957826 598685062 /nfs/dbraw/zinc/68/50/62/598685062.db2.gz UUEQSOIJUDLPEL-UHFFFAOYSA-N -1 1 378.341 1.560 20 0 GDADMM CCCC(=O)NC1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000736410741 598690284 /nfs/dbraw/zinc/69/02/84/598690284.db2.gz GLYSRIUWPAAGOU-UHFFFAOYSA-N -1 1 396.448 1.075 20 0 GDADMM CCNC(=O)c1cccc(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000736578422 598693420 /nfs/dbraw/zinc/69/34/20/598693420.db2.gz UGFFKBMQMXADJD-UHFFFAOYSA-N -1 1 391.384 1.523 20 0 GDADMM CC[C@H]1CN(C(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)C[C@@H](C)O1 ZINC000736411213 598696129 /nfs/dbraw/zinc/69/61/29/598696129.db2.gz PJRBKVMITSRWPK-RISCZKNCSA-N -1 1 398.471 1.485 20 0 GDADMM CC[C@H]1CN(C(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)C[C@@H](C)O1 ZINC000736411213 598696131 /nfs/dbraw/zinc/69/61/31/598696131.db2.gz PJRBKVMITSRWPK-RISCZKNCSA-N -1 1 398.471 1.485 20 0 GDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1nc(-c2ccccc2)n2c1CCCCC2 ZINC000737772256 598700662 /nfs/dbraw/zinc/70/06/62/598700662.db2.gz WSKBKZWORWVSBL-UHFFFAOYSA-N -1 1 389.423 1.924 20 0 GDADMM CCCNC(=O)CN(CCC)CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000821114388 607363355 /nfs/dbraw/zinc/36/33/55/607363355.db2.gz QCKGTQCMJVVCMJ-UHFFFAOYSA-N -1 1 377.449 1.253 20 0 GDADMM CCC(CC)[C@@H](O)CNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000736337609 598721174 /nfs/dbraw/zinc/72/11/74/598721174.db2.gz LPGDSBMLIKBMIP-AWEZNQCLSA-N -1 1 376.461 1.430 20 0 GDADMM Cc1ccc(C(N)=O)cc1OS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737318550 598768496 /nfs/dbraw/zinc/76/84/96/598768496.db2.gz CPCTURDKEFDHLO-UHFFFAOYSA-N -1 1 377.357 1.181 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CCC[C@@H]2c2noc(C)n2)cc1-c1nn[n-]n1 ZINC000737187394 599296829 /nfs/dbraw/zinc/29/68/29/599296829.db2.gz RJZHZSPDWFJYJY-SNVBAGLBSA-N -1 1 388.413 1.358 20 0 GDADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(C[C@H](O)c2cccc(Cl)c2)c1 ZINC000821666887 599301645 /nfs/dbraw/zinc/30/16/45/599301645.db2.gz KYYAQYMOPDCZSZ-ZDUSSCGKSA-N -1 1 375.772 1.202 20 0 GDADMM CC(C)(C)Cc1nc(-c2cccc(C(=O)n3ncc(-c4nn[n-]n4)c3N)c2)no1 ZINC000819913740 599318651 /nfs/dbraw/zinc/31/86/51/599318651.db2.gz DTIPUYRFYQWMKB-UHFFFAOYSA-N -1 1 393.411 1.973 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)Nc2ncc(C(C)=O)s2)cc1-c1nn[n-]n1 ZINC000821978963 599331760 /nfs/dbraw/zinc/33/17/60/599331760.db2.gz NWOSVZUKLTUBLF-UHFFFAOYSA-N -1 1 377.411 1.601 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCCCc1ccc(O)cc1 ZINC000737201089 599334731 /nfs/dbraw/zinc/33/47/31/599334731.db2.gz QGYUIHVTLXBNGC-UHFFFAOYSA-N -1 1 396.451 1.971 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC[C@H](C(F)(F)F)C1 ZINC000738355165 599335051 /nfs/dbraw/zinc/33/50/51/599335051.db2.gz MKJFSCUVGWESFK-QMMMGPOBSA-N -1 1 379.339 1.969 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC[C@H](C(F)(F)F)C1 ZINC000738355165 599335052 /nfs/dbraw/zinc/33/50/52/599335052.db2.gz MKJFSCUVGWESFK-QMMMGPOBSA-N -1 1 379.339 1.969 20 0 GDADMM CCc1nc(C)c([C@H](C)N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)s1 ZINC000821504757 599347158 /nfs/dbraw/zinc/34/71/58/599347158.db2.gz KADYLBHIKJYNIQ-JTQLQIEISA-N -1 1 393.498 1.971 20 0 GDADMM CCc1nc(C)c([C@H](C)N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)s1 ZINC000821504757 599347160 /nfs/dbraw/zinc/34/71/60/599347160.db2.gz KADYLBHIKJYNIQ-JTQLQIEISA-N -1 1 393.498 1.971 20 0 GDADMM Cc1ccccc1[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC000822351783 599352650 /nfs/dbraw/zinc/35/26/50/599352650.db2.gz QQQYDUHCVUTFPJ-INIZCTEOSA-N -1 1 386.437 1.332 20 0 GDADMM Cc1ccccc1[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC000822351783 599352651 /nfs/dbraw/zinc/35/26/51/599352651.db2.gz QQQYDUHCVUTFPJ-INIZCTEOSA-N -1 1 386.437 1.332 20 0 GDADMM COc1ccccc1C[C@@H](C)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821889727 599367110 /nfs/dbraw/zinc/36/71/10/599367110.db2.gz FGMBGAJXXDTFGY-GFCCVEGCSA-N -1 1 388.453 1.522 20 0 GDADMM COc1ccccc1C[C@@H](C)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821889727 599367112 /nfs/dbraw/zinc/36/71/12/599367112.db2.gz FGMBGAJXXDTFGY-GFCCVEGCSA-N -1 1 388.453 1.522 20 0 GDADMM CC(=O)Nc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c(F)c1 ZINC000819817328 599371694 /nfs/dbraw/zinc/37/16/94/599371694.db2.gz AQNJPZADOPWWNP-UHFFFAOYSA-N -1 1 378.345 1.127 20 0 GDADMM CC(=O)Nc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c(F)c1 ZINC000819817328 599371697 /nfs/dbraw/zinc/37/16/97/599371697.db2.gz AQNJPZADOPWWNP-UHFFFAOYSA-N -1 1 378.345 1.127 20 0 GDADMM O=C(CN1CCN(c2cccc(-c3nnn[n-]3)n2)CC1)Nc1ccccc1Cl ZINC000737881732 599397393 /nfs/dbraw/zinc/39/73/93/599397393.db2.gz GNWPDYDCLYLLMP-UHFFFAOYSA-N -1 1 398.858 1.676 20 0 GDADMM O=C(CN1CCN(c2cccc(-c3nn[n-]n3)n2)CC1)Nc1ccccc1Cl ZINC000737881732 599397395 /nfs/dbraw/zinc/39/73/95/599397395.db2.gz GNWPDYDCLYLLMP-UHFFFAOYSA-N -1 1 398.858 1.676 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCCCOC2CCOCC2)cc1-c1nn[n-]n1 ZINC000821977351 599426546 /nfs/dbraw/zinc/42/65/46/599426546.db2.gz FQLGEDGBVZEWTN-UHFFFAOYSA-N -1 1 394.457 1.005 20 0 GDADMM CCO[C@@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C12CCC2 ZINC000821360443 599446183 /nfs/dbraw/zinc/44/61/83/599446183.db2.gz RGYMWECQNHAZNF-NWDGAFQWSA-N -1 1 390.469 1.767 20 0 GDADMM CSC[C@@H](C)NC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000737176316 599455657 /nfs/dbraw/zinc/45/56/57/599455657.db2.gz MMIBYDKACWVRRL-SNVBAGLBSA-N -1 1 392.489 1.315 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@@H](O)C1CCOCC1 ZINC000737546269 599496956 /nfs/dbraw/zinc/49/69/56/599496956.db2.gz CPQKLHBGJTYSAL-CYBMUJFWSA-N -1 1 386.412 1.076 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@@H](O)C1CCOCC1 ZINC000737546269 599496959 /nfs/dbraw/zinc/49/69/59/599496959.db2.gz CPQKLHBGJTYSAL-CYBMUJFWSA-N -1 1 386.412 1.076 20 0 GDADMM Cc1noc(C)c1C[C@@H](C)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000737538275 599553480 /nfs/dbraw/zinc/55/34/80/599553480.db2.gz MOQAMCFDVSBUHH-SECBINFHSA-N -1 1 399.455 1.869 20 0 GDADMM COc1ccc(COC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)cn1 ZINC000821825391 599627041 /nfs/dbraw/zinc/62/70/41/599627041.db2.gz ZRRYGGBRNKUILV-UHFFFAOYSA-N -1 1 384.396 1.664 20 0 GDADMM Cc1csc(COC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)n1 ZINC000822414488 599627208 /nfs/dbraw/zinc/62/72/08/599627208.db2.gz HTJXWSBHNFKSNE-UHFFFAOYSA-N -1 1 398.452 1.967 20 0 GDADMM Cc1csc(COC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)n1 ZINC000822414488 599627209 /nfs/dbraw/zinc/62/72/09/599627209.db2.gz HTJXWSBHNFKSNE-UHFFFAOYSA-N -1 1 398.452 1.967 20 0 GDADMM Cc1oc(NC(=O)COC(=O)CC[C@@H]2CC[C@@H](C)O2)c(-c2nn[n-]n2)c1C ZINC000822548280 599672048 /nfs/dbraw/zinc/67/20/48/599672048.db2.gz HBUHYFLHKRUDIL-SKDRFNHKSA-N -1 1 377.401 1.906 20 0 GDADMM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(F)c(-c3nn[nH]n3)c2)c(O)c1 ZINC000823391681 599695557 /nfs/dbraw/zinc/69/55/57/599695557.db2.gz BPKNQWWASKSPBH-UHFFFAOYSA-N -1 1 379.329 1.210 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1CC(=O)NCCC(=O)[O-] ZINC000736274606 599714079 /nfs/dbraw/zinc/71/40/79/599714079.db2.gz VGUHIQJBQHFJNJ-HUUCEWRRSA-N -1 1 383.489 1.831 20 0 GDADMM COC1CCN(C(C)(C)CNS(=O)(=O)c2cc(C(=O)[O-])ccc2F)CC1 ZINC000737736203 599780699 /nfs/dbraw/zinc/78/06/99/599780699.db2.gz PWZWGDPLAUIMKS-UHFFFAOYSA-N -1 1 388.461 1.692 20 0 GDADMM O=C([O-])CCS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000739742524 599875096 /nfs/dbraw/zinc/87/50/96/599875096.db2.gz NBAZQKLAUGVMNR-UHFFFAOYSA-N -1 1 392.389 1.884 20 0 GDADMM COc1c(C)cnc(CN2CCC(N(C)C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)c1C ZINC000737840455 599924040 /nfs/dbraw/zinc/92/40/40/599924040.db2.gz UPOIIICSIDAEIO-CVEARBPZSA-N -1 1 375.469 1.851 20 0 GDADMM CC[C@@H]1CN([C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)CCN1C[C@H](C)O ZINC000736942308 599959887 /nfs/dbraw/zinc/95/98/87/599959887.db2.gz AXGOSFUSEBTVFT-YQQAZPJKSA-N -1 1 377.485 1.797 20 0 GDADMM CCN1CCN(c2ccc(Cl)cc2NC(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC000737122092 600006161 /nfs/dbraw/zinc/00/61/61/600006161.db2.gz HSVCISAFNIIXFF-MRXNPFEDSA-N -1 1 396.875 1.799 20 0 GDADMM C[C@@H]1CN(Cc2ccc(CNC(=O)N3CCO[C@H](C(=O)[O-])C3)cc2)C[C@H](C)O1 ZINC000736815725 600034707 /nfs/dbraw/zinc/03/47/07/600034707.db2.gz WVAQDBQKGXYFIF-DAYGRLMNSA-N -1 1 391.468 1.291 20 0 GDADMM O=C([O-])c1ccc2c(c1)CN(C(=O)CNC(=O)c1c[nH]c3ccccc3c1=O)C2 ZINC000740188724 600073644 /nfs/dbraw/zinc/07/36/44/600073644.db2.gz HVOIQLIHRGYYGK-UHFFFAOYSA-N -1 1 391.383 1.499 20 0 GDADMM O=C([O-])C[NH+]1CCN(c2ccc([N-]S(=O)(=O)c3cccnc3)cc2)CC1 ZINC000739804278 600106186 /nfs/dbraw/zinc/10/61/86/600106186.db2.gz XJYISAGRCHVPKY-UHFFFAOYSA-N -1 1 376.438 1.089 20 0 GDADMM CCCc1c(C(=O)N2CCO[C@@H](CN3CCN(C)CC3)C2)[nH]c(C)c1C(=O)[O-] ZINC000737039911 600118496 /nfs/dbraw/zinc/11/84/96/600118496.db2.gz CJETUJUOHJTVOS-HNNXBMFYSA-N -1 1 392.500 1.062 20 0 GDADMM CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000819933001 607422114 /nfs/dbraw/zinc/42/21/14/607422114.db2.gz BFFIWLUHSZCIAT-VIFPVBQESA-N -1 1 394.461 1.028 20 0 GDADMM CN(C)CCN(Cc1ccccn1)S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000544925555 600168772 /nfs/dbraw/zinc/16/87/72/600168772.db2.gz BEZSFDZDYAFDJP-UHFFFAOYSA-N -1 1 393.465 1.298 20 0 GDADMM CN(C)Cc1cc(CNC(=O)C(=O)Nc2ccc(CC(=O)[O-])cc2)ccc1F ZINC000737368521 600200230 /nfs/dbraw/zinc/20/02/30/600200230.db2.gz RVTVTWDHPFJUFR-UHFFFAOYSA-N -1 1 387.411 1.769 20 0 GDADMM O=C([O-])Cc1csc(NC(=O)CSc2nc(-c3ccccn3)n[nH]2)n1 ZINC000738631081 600274811 /nfs/dbraw/zinc/27/48/11/600274811.db2.gz COVADBBIYQLWAD-UHFFFAOYSA-N -1 1 376.423 1.681 20 0 GDADMM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CSc1nc(-c2ccccn2)n[nH]1 ZINC000739625196 600275095 /nfs/dbraw/zinc/27/50/95/600275095.db2.gz NFDJINXXCCWGBG-OAHLLOKOSA-N -1 1 395.444 1.997 20 0 GDADMM O=C([O-])c1ccc(NC(=O)C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)c(F)c1 ZINC000739467129 600309319 /nfs/dbraw/zinc/30/93/19/600309319.db2.gz LKKDSHSGBSPERP-AWEZNQCLSA-N -1 1 393.415 1.176 20 0 GDADMM Cc1c(Cl)c(C(=O)[O-])nn1CN1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC000738289724 600313658 /nfs/dbraw/zinc/31/36/58/600313658.db2.gz MZWGJELDUZWCER-OAHLLOKOSA-N -1 1 399.923 1.227 20 0 GDADMM O=C([O-])Nc1cccc(NC(=O)C(=O)NCc2n[nH]c(-c3ccccc3)n2)c1 ZINC000740038799 600342008 /nfs/dbraw/zinc/34/20/08/600342008.db2.gz HXHIWTYEYSCHTL-UHFFFAOYSA-N -1 1 380.364 1.817 20 0 GDADMM O=C([O-])Nc1cccc(NC(=O)C(=O)NCc2nc(-c3ccccc3)n[nH]2)c1 ZINC000740038799 600342012 /nfs/dbraw/zinc/34/20/12/600342012.db2.gz HXHIWTYEYSCHTL-UHFFFAOYSA-N -1 1 380.364 1.817 20 0 GDADMM COc1ccc(CNC(=O)C(=O)Nc2ccn(-c3ccncc3)n2)cc1C(=O)[O-] ZINC000737997713 600355176 /nfs/dbraw/zinc/35/51/76/600355176.db2.gz VJHBOEMHAOAWOY-UHFFFAOYSA-N -1 1 395.375 1.229 20 0 GDADMM CC(C)N1CCO[C@H](CN2CCN(C(=O)NC3CCC(C(=O)[O-])CC3)CC2)C1 ZINC000736474369 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FTIGNQNACMFKEG-INIZCTEOSA-N -1 1 394.516 1.217 20 0 GDADMM CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2CC[C@@](C)(C(=O)[O-])C2)c1 ZINC000829684095 601946273 /nfs/dbraw/zinc/94/62/73/601946273.db2.gz NSWJKMDBXMZHEV-GOSISDBHSA-N -1 1 397.497 1.452 20 0 GDADMM C[C@@]1(C(=O)[O-])CCN(CC(=O)Nc2ccccc2C(=O)NCc2ccco2)C1 ZINC000828024298 601946331 /nfs/dbraw/zinc/94/63/31/601946331.db2.gz MQUAKZBUIKNQRO-HXUWFJFHSA-N -1 1 385.420 1.945 20 0 GDADMM COc1cccc([C@@H](CNC(=O)N2CCC[C@H](CNC(=O)[O-])C2)N(C)C)c1 ZINC000739943638 602061632 /nfs/dbraw/zinc/06/16/32/602061632.db2.gz AKUUUEYDZGCIHS-RHSMWYFYSA-N -1 1 378.473 1.987 20 0 GDADMM Cc1ccc(CN2CCCN(C(=O)COC(=O)CN(C)C(=O)[O-])CC2)cc1 ZINC000740126104 602205700 /nfs/dbraw/zinc/20/57/00/602205700.db2.gz KCNUDUHCERLBDJ-UHFFFAOYSA-N -1 1 377.441 1.182 20 0 GDADMM C[C@@H]1CN(CC(=O)Nc2cc(-n3nnnc3C3CC3)ccc2F)C[C@@H]1C(=O)[O-] ZINC000828439342 602222711 /nfs/dbraw/zinc/22/27/11/602222711.db2.gz IDEHONHFOYYVDZ-MFKMUULPSA-N -1 1 388.403 1.270 20 0 GDADMM C[C@]1(C(=O)[O-])CCN(CC(=O)Nc2cc(-n3nnnc3C3CC3)ccc2F)C1 ZINC000828024506 602222823 /nfs/dbraw/zinc/22/28/23/602222823.db2.gz QNUMLKIJMMKXHS-SFHVURJKSA-N -1 1 388.403 1.414 20 0 GDADMM C[C@@]1(c2cccnc2Cl)NC(=O)N(Cc2ccnc(-c3nnn[n-]3)c2)C1=O ZINC000824851977 607553480 /nfs/dbraw/zinc/55/34/80/607553480.db2.gz GZPWUENLUPGVMV-INIZCTEOSA-N -1 1 384.787 1.277 20 0 GDADMM C[C@@]1(c2cccnc2Cl)NC(=O)N(Cc2ccnc(-c3nn[n-]n3)c2)C1=O ZINC000824851977 607553481 /nfs/dbraw/zinc/55/34/81/607553481.db2.gz GZPWUENLUPGVMV-INIZCTEOSA-N -1 1 384.787 1.277 20 0 GDADMM CN1CCN(C(C)(C)CNC(=O)Nc2cccc(OCCNC(=O)[O-])c2)CC1 ZINC000739732712 602287558 /nfs/dbraw/zinc/28/75/58/602287558.db2.gz AHQZURDDSDNXRL-UHFFFAOYSA-N -1 1 393.488 1.481 20 0 GDADMM O=C([O-])N1CCC[C@H]1C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000740452667 602292460 /nfs/dbraw/zinc/29/24/60/602292460.db2.gz FWZPDIRKOREKJJ-NSHDSACASA-N -1 1 394.229 1.993 20 0 GDADMM O=C([O-])N1CCC[C@H]1C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000740452667 602292462 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ZINC000826159025 607577066 /nfs/dbraw/zinc/57/70/66/607577066.db2.gz NFBMDFIFBFMACJ-UHFFFAOYSA-N -1 1 391.428 1.843 20 0 GDADMM COc1cc(OC)cc(OS(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c1 ZINC000826181382 607577192 /nfs/dbraw/zinc/57/71/92/607577192.db2.gz WVMJKUSECOHUFW-UHFFFAOYSA-N -1 1 376.394 1.960 20 0 GDADMM COc1cc(NC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)ccc1NC(=O)[O-] ZINC000739866386 602641197 /nfs/dbraw/zinc/64/11/97/602641197.db2.gz MWFBQTJEEJFLEJ-HUUCEWRRSA-N -1 1 378.429 1.848 20 0 GDADMM COc1cc(NC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)ccc1NC(=O)[O-] ZINC000739866388 602641216 /nfs/dbraw/zinc/64/12/16/602641216.db2.gz MWFBQTJEEJFLEJ-LSDHHAIUSA-N -1 1 378.429 1.848 20 0 GDADMM Cc1cccc(S(=O)(=O)Oc2ccc(S(C)(=O)=O)cc2)c1-c1nn[n-]n1 ZINC000826304432 607579228 /nfs/dbraw/zinc/57/92/28/607579228.db2.gz KYFJINIVSYLYHR-UHFFFAOYSA-N -1 1 394.434 1.346 20 0 GDADMM C[C@@H](NC(=O)COCCNC(=O)[O-])c1cc(F)ccc1N1CCN(C)CC1 ZINC000738964462 602664432 /nfs/dbraw/zinc/66/44/32/602664432.db2.gz CDFVESSJSYBJKA-CYBMUJFWSA-N -1 1 382.436 1.039 20 0 GDADMM C[C@H](NC(=O)COCCNC(=O)[O-])c1cc(F)ccc1N1CCN(C)CC1 ZINC000738964465 602664519 /nfs/dbraw/zinc/66/45/19/602664519.db2.gz CDFVESSJSYBJKA-ZDUSSCGKSA-N -1 1 382.436 1.039 20 0 GDADMM CC(C)CN1CCO[C@H](CNC(=O)c2cccn2C2CCN(C(=O)[O-])CC2)C1 ZINC000738826032 602684192 /nfs/dbraw/zinc/68/41/92/602684192.db2.gz UJNHBRWTDNDKIW-QGZVFWFLSA-N -1 1 392.500 1.890 20 0 GDADMM O=C([O-])N1CCC[C@H](CN2CCN(CC(=O)N3CCc4ccccc43)CC2)C1 ZINC000740510540 602703560 /nfs/dbraw/zinc/70/35/60/602703560.db2.gz HBFUVMRFFHNAMZ-QGZVFWFLSA-N -1 1 386.496 1.583 20 0 GDADMM Cn1ncc2c1CCC[C@H]2NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826366404 607586001 /nfs/dbraw/zinc/58/60/01/607586001.db2.gz GPXBXKWJVPNEST-GFCCVEGCSA-N -1 1 393.860 1.610 20 0 GDADMM O=C([O-])N1CCC[C@@H](CN2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)C1 ZINC000740513031 602737452 /nfs/dbraw/zinc/73/74/52/602737452.db2.gz SQUHEJMNMMXIAV-HKUYNNGSSA-N -1 1 386.496 1.800 20 0 GDADMM COC(=O)C1(NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCCC1 ZINC000826123578 607583484 /nfs/dbraw/zinc/58/34/84/607583484.db2.gz HASKJFODDWJPCX-UHFFFAOYSA-N -1 1 385.833 1.284 20 0 GDADMM COC(=O)C1(NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCCC1 ZINC000826123578 607583485 /nfs/dbraw/zinc/58/34/85/607583485.db2.gz HASKJFODDWJPCX-UHFFFAOYSA-N -1 1 385.833 1.284 20 0 GDADMM COc1ccc(CN(C)C(=O)CN2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)cc1OC ZINC000739906478 602772878 /nfs/dbraw/zinc/77/28/78/602772878.db2.gz AUQRJKBCUOLSKO-DZGCQCFKSA-N -1 1 379.457 1.640 20 0 GDADMM O=S(=O)(NCCCOCC(F)(F)F)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826490839 607585854 /nfs/dbraw/zinc/58/58/54/607585854.db2.gz JNIGMPSEVANKTM-UHFFFAOYSA-N -1 1 399.782 1.767 20 0 GDADMM O=S(=O)(NCCCOCC(F)(F)F)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826490839 607585855 /nfs/dbraw/zinc/58/58/55/607585855.db2.gz JNIGMPSEVANKTM-UHFFFAOYSA-N -1 1 399.782 1.767 20 0 GDADMM Cn1ncc2c1CCC[C@@H]2NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826366309 607585884 /nfs/dbraw/zinc/58/58/84/607585884.db2.gz BLTOJBCAICRUIL-NSHDSACASA-N -1 1 377.405 1.095 20 0 GDADMM Cn1ncc2c1CCC[C@@H]2NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826366309 607585885 /nfs/dbraw/zinc/58/58/85/607585885.db2.gz BLTOJBCAICRUIL-NSHDSACASA-N -1 1 377.405 1.095 20 0 GDADMM C[C@H]1CN(CCC(=O)Nc2ccc(N3CCOCC3)cc2)C[C@H](C)N1C(=O)[O-] ZINC000739185297 602840886 /nfs/dbraw/zinc/84/08/86/602840886.db2.gz YXRNLEMBXJCBCG-HOTGVXAUSA-N -1 1 390.484 1.924 20 0 GDADMM C[C@@H](COc1ccccc1)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824450747 607591307 /nfs/dbraw/zinc/59/13/07/607591307.db2.gz ZEDGFHSTYFMTGX-NSHDSACASA-N -1 1 377.401 1.752 20 0 GDADMM C[C@@H](COc1ccccc1)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824450747 607591308 /nfs/dbraw/zinc/59/13/08/607591308.db2.gz ZEDGFHSTYFMTGX-NSHDSACASA-N -1 1 377.401 1.752 20 0 GDADMM C[C@H](C(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823668618 602872024 /nfs/dbraw/zinc/87/20/24/602872024.db2.gz FMWTVDKHYCQQKH-DZOHQFGASA-N -1 1 375.469 1.689 20 0 GDADMM COc1ccccc1[C@@H](NC(=O)[O-])C(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000739969239 602886337 /nfs/dbraw/zinc/88/63/37/602886337.db2.gz WVUZIUWLFBGADT-RHSMWYFYSA-N -1 1 379.457 1.477 20 0 GDADMM C[C@@H]1CN(C(=O)NCc2cccnc2N2CCN(C)CC2)C[C@@H](C)N1C(=O)[O-] ZINC000739147617 602895272 /nfs/dbraw/zinc/89/52/72/602895272.db2.gz NRRPHJUYTHLZFC-HUUCEWRRSA-N -1 1 390.488 1.116 20 0 GDADMM CCCN(CC(=O)N(C)C)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825307867 607594218 /nfs/dbraw/zinc/59/42/18/607594218.db2.gz PEBGSOISTZWTNF-UHFFFAOYSA-N -1 1 386.865 1.009 20 0 GDADMM CCCN(CC(=O)N(C)C)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825307867 607594219 /nfs/dbraw/zinc/59/42/19/607594219.db2.gz PEBGSOISTZWTNF-UHFFFAOYSA-N -1 1 386.865 1.009 20 0 GDADMM COc1ccccc1[C@@H](CNC(=O)N1CCN(C2CCC2)CC1)NC(=O)[O-] ZINC000739964163 602960344 /nfs/dbraw/zinc/96/03/44/602960344.db2.gz QRKZMAHPNPTBIA-MRXNPFEDSA-N -1 1 376.457 1.884 20 0 GDADMM CCOC(=O)CN(C1CC1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825512171 607597577 /nfs/dbraw/zinc/59/75/77/607597577.db2.gz XBASROGPCTZKAG-UHFFFAOYSA-N -1 1 385.833 1.236 20 0 GDADMM CCOC(=O)CN(C1CC1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825512171 607597579 /nfs/dbraw/zinc/59/75/79/607597579.db2.gz XBASROGPCTZKAG-UHFFFAOYSA-N -1 1 385.833 1.236 20 0 GDADMM COc1ccccc1[C@H](NC(=O)[O-])C(=O)N1CC[C@@H](CN2CCOCC2)C1 ZINC000739963297 602971304 /nfs/dbraw/zinc/97/13/04/602971304.db2.gz JIGRVOSIIXESOH-YOEHRIQHSA-N -1 1 377.441 1.185 20 0 GDADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1Cc1nc(C2(NC(=O)[O-])CCC2)no1 ZINC000740028382 603005828 /nfs/dbraw/zinc/00/58/28/603005828.db2.gz QGNCJQNHOTZGPF-UHFFFAOYSA-N -1 1 383.368 1.568 20 0 GDADMM O=S(=O)(NCCCOc1ccc(F)cc1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826491257 607601267 /nfs/dbraw/zinc/60/12/67/607601267.db2.gz ZSAIUPKUFXEZJU-UHFFFAOYSA-N -1 1 395.391 1.892 20 0 GDADMM CC[C@H]1CN(C(=O)[C@H]2Cc3ccccc3CN2C(=O)[O-])CCN1C[C@H](C)O ZINC000826683758 603058662 /nfs/dbraw/zinc/05/86/62/603058662.db2.gz XVHUTNJEBVYGGS-JCGIZDLHSA-N -1 1 375.469 1.395 20 0 GDADMM COC(=O)[C@@H](C)CN(C1CC1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826098377 607604522 /nfs/dbraw/zinc/60/45/22/607604522.db2.gz CKXKAMIAYKDXIM-VIFPVBQESA-N -1 1 399.860 1.482 20 0 GDADMM O=C([O-])NC1CCC(NC(=O)CCn2c(=O)c3ccccc3[nH]c2=S)CC1 ZINC000740555854 603069559 /nfs/dbraw/zinc/06/95/59/603069559.db2.gz CBHXZUYGPPLAKX-UHFFFAOYSA-N -1 1 390.465 1.770 20 0 GDADMM COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000826133783 607604664 /nfs/dbraw/zinc/60/46/64/607604664.db2.gz POLXFPZRYLXHSH-SECBINFHSA-N -1 1 385.833 1.094 20 0 GDADMM CCCc1nc([C@H]2CN(C(=O)c3csc(CNC(=O)[O-])n3)CCO2)n[nH]1 ZINC000826953069 603076103 /nfs/dbraw/zinc/07/61/03/603076103.db2.gz AWECQINWLUMCIJ-SNVBAGLBSA-N -1 1 380.430 1.195 20 0 GDADMM CCCc1n[nH]c([C@H]2CN(C(=O)c3csc(CNC(=O)[O-])n3)CCO2)n1 ZINC000826953069 603076107 /nfs/dbraw/zinc/07/61/07/603076107.db2.gz AWECQINWLUMCIJ-SNVBAGLBSA-N -1 1 380.430 1.195 20 0 GDADMM O=C([O-])NCC1(NC(=O)CCN2CCN(c3ccccn3)CC2)CCCC1 ZINC000740616384 603099670 /nfs/dbraw/zinc/09/96/70/603099670.db2.gz YKJCMCVGNXMZMF-UHFFFAOYSA-N -1 1 375.473 1.290 20 0 GDADMM COc1ccc(-c2n[nH]c(CNC(=O)N3CCC[C@H](CNC(=O)[O-])C3)n2)cc1 ZINC000739878451 603127987 /nfs/dbraw/zinc/12/79/87/603127987.db2.gz GSXANXZSDCTLDT-GFCCVEGCSA-N -1 1 388.428 1.670 20 0 GDADMM COc1ccc(-c2nc(CNC(=O)N3CCC[C@H](CNC(=O)[O-])C3)n[nH]2)cc1 ZINC000739878451 603127990 /nfs/dbraw/zinc/12/79/90/603127990.db2.gz GSXANXZSDCTLDT-GFCCVEGCSA-N -1 1 388.428 1.670 20 0 GDADMM COc1cc(C=CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc(OC)c1O ZINC000826178587 607610179 /nfs/dbraw/zinc/61/01/79/607610179.db2.gz DMUAMVYKOSSILM-ONEGZZNKSA-N -1 1 383.364 1.741 20 0 GDADMM COc1cc(C=CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc(OC)c1O ZINC000826178587 607610180 /nfs/dbraw/zinc/61/01/80/607610180.db2.gz DMUAMVYKOSSILM-ONEGZZNKSA-N -1 1 383.364 1.741 20 0 GDADMM C[C@@H](CNC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1)N1CCc2ccccc2C1 ZINC000738910212 603166636 /nfs/dbraw/zinc/16/66/36/603166636.db2.gz HJYQYLGCSSZEND-INIZCTEOSA-N -1 1 388.512 1.624 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H](c1ccccc1F)N1CCOCC1 ZINC000826467247 607611699 /nfs/dbraw/zinc/61/16/99/607611699.db2.gz NKWOLJWDRARFRW-QGZVFWFLSA-N -1 1 398.398 1.518 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H](c1ccccc1F)N1CCOCC1 ZINC000826467247 607611702 /nfs/dbraw/zinc/61/17/02/607611702.db2.gz NKWOLJWDRARFRW-QGZVFWFLSA-N -1 1 398.398 1.518 20 0 GDADMM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000739206280 603192605 /nfs/dbraw/zinc/19/26/05/603192605.db2.gz YGPQXPDMJHFBEY-ZANVPECISA-N -1 1 377.376 1.730 20 0 GDADMM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000739206280 603192607 /nfs/dbraw/zinc/19/26/07/603192607.db2.gz YGPQXPDMJHFBEY-ZANVPECISA-N -1 1 377.376 1.730 20 0 GDADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCN(C(=O)[O-])[C@@H](C)C1 ZINC000830085301 603258372 /nfs/dbraw/zinc/25/83/72/603258372.db2.gz QOBBFKXMZFUXHE-HNNXBMFYSA-N -1 1 375.473 1.963 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N(CCO)Cc1ccccc1 ZINC000826494727 607621986 /nfs/dbraw/zinc/62/19/86/607621986.db2.gz MTWJZMOKGBPDIS-UHFFFAOYSA-N -1 1 393.856 1.703 20 0 GDADMM Cn1cc(N2CCC[C@H](N3CCC([C@H]4CCCN4C(=O)[O-])CC3)C2=O)cn1 ZINC000740288767 603329117 /nfs/dbraw/zinc/32/91/17/603329117.db2.gz GBEVHZXYYUVTJB-SJORKVTESA-N -1 1 375.473 1.770 20 0 GDADMM O=C(CN(C[C@@H]1CCCO1)C(=O)[O-])NCC1(N2CCOCC2)CCCCC1 ZINC000740364959 603382650 /nfs/dbraw/zinc/38/26/50/603382650.db2.gz MAXRTOHJVRGLHW-INIZCTEOSA-N -1 1 383.489 1.297 20 0 GDADMM CN1CCN(c2ccccc2NC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])CC1 ZINC000739736841 603384197 /nfs/dbraw/zinc/38/41/97/603384197.db2.gz RJOZXJWIUCESRN-OAHLLOKOSA-N -1 1 376.457 1.536 20 0 GDADMM CN1CCN(Cc2cccc(NC(=O)CN(C[C@H]3CCCO3)C(=O)[O-])c2)CC1 ZINC000739737017 603402493 /nfs/dbraw/zinc/40/24/93/603402493.db2.gz UKUQXWKPUICOJU-GOSISDBHSA-N -1 1 390.484 1.532 20 0 GDADMM C[C@@H](O)c1ccc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000824706378 607627718 /nfs/dbraw/zinc/62/77/18/607627718.db2.gz ICUZFDCAOHKTJL-SNVBAGLBSA-N -1 1 377.401 1.538 20 0 GDADMM C[C@@H](O)c1ccc(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000824706378 607627720 /nfs/dbraw/zinc/62/77/20/607627720.db2.gz ICUZFDCAOHKTJL-SNVBAGLBSA-N -1 1 377.401 1.538 20 0 GDADMM C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)C(C)(C)O ZINC000824640223 607630365 /nfs/dbraw/zinc/63/03/65/607630365.db2.gz DGQKXVPAUCBVHN-ZETCQYMHSA-N -1 1 379.364 1.323 20 0 GDADMM COc1cccc([C@H](O)CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826215218 607630761 /nfs/dbraw/zinc/63/07/61/607630761.db2.gz JNDRPVWJHLSYNU-CYBMUJFWSA-N -1 1 393.400 1.026 20 0 GDADMM COc1cccc([C@H](O)CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826215218 607630763 /nfs/dbraw/zinc/63/07/63/607630763.db2.gz JNDRPVWJHLSYNU-CYBMUJFWSA-N -1 1 393.400 1.026 20 0 GDADMM COc1ccc(-c2n[nH]c(CNC(=O)N(C)CC(C)(C)CNC(=O)[O-])n2)cc1 ZINC000829243932 603575012 /nfs/dbraw/zinc/57/50/12/603575012.db2.gz XBZFPUUGSVNGGS-UHFFFAOYSA-N -1 1 390.444 1.916 20 0 GDADMM COc1ccc(-c2nc(CNC(=O)N(C)CC(C)(C)CNC(=O)[O-])n[nH]2)cc1 ZINC000829243932 603575015 /nfs/dbraw/zinc/57/50/15/603575015.db2.gz XBZFPUUGSVNGGS-UHFFFAOYSA-N -1 1 390.444 1.916 20 0 GDADMM O=C([O-])N[C@@H](CC(=O)N1CCN(C[C@H]2CCOC2)CC1)Cc1ccccc1 ZINC000832098892 603583527 /nfs/dbraw/zinc/58/35/27/603583527.db2.gz JBWBLVZIQBKKSX-QZTJIDSGSA-N -1 1 375.469 1.436 20 0 GDADMM CCCCNC(=O)[C@H]1CC[C@@H](C)N(CN2CC3(CN(C(=O)[O-])C3)CC2=O)C1 ZINC000826836674 603586621 /nfs/dbraw/zinc/58/66/21/603586621.db2.gz OTUKHWLNDRAUKU-CABCVRRESA-N -1 1 380.489 1.173 20 0 GDADMM O=S(=O)(NCC[C@@H](O)C(F)(F)F)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826491208 607638861 /nfs/dbraw/zinc/63/88/61/607638861.db2.gz YCEOEUOXNHLVEQ-MRVPVSSYSA-N -1 1 385.755 1.112 20 0 GDADMM CN(C(=O)Cn1c(=O)c2ccccc2[nH]c1=S)C1CCC(NC(=O)[O-])CC1 ZINC000827781694 603606018 /nfs/dbraw/zinc/60/60/18/603606018.db2.gz LFDVWVUVIYOVBM-UHFFFAOYSA-N -1 1 390.465 1.722 20 0 GDADMM CN(C(=O)[O-])[C@@H]1CCN(C(=O)NCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000827854072 603612555 /nfs/dbraw/zinc/61/25/55/603612555.db2.gz YQSGOGBFGSZFBX-GOSISDBHSA-N -1 1 389.500 1.198 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCOC[C@H]1C(F)(F)F ZINC000826495060 607640788 /nfs/dbraw/zinc/64/07/88/607640788.db2.gz AVVFGWSUNQALCL-VIFPVBQESA-N -1 1 397.766 1.472 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCOC[C@H]1C(F)(F)F ZINC000826495060 607640791 /nfs/dbraw/zinc/64/07/91/607640791.db2.gz AVVFGWSUNQALCL-VIFPVBQESA-N -1 1 397.766 1.472 20 0 GDADMM C[C@@H](O)C[C@@H](C)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824690725 607641268 /nfs/dbraw/zinc/64/12/68/607641268.db2.gz UWQYBHUTIRQXJP-RKDXNWHRSA-N -1 1 393.391 1.571 20 0 GDADMM O=C([O-])NC[C@H]1CCCN1C(=O)NCC1(CN2CCOCC2)CCCCC1 ZINC000832551455 603672958 /nfs/dbraw/zinc/67/29/58/603672958.db2.gz NSOFWXICHQQBRB-MRXNPFEDSA-N -1 1 382.505 1.711 20 0 GDADMM COc1ccc(-c2n[nH]c(S[C@@H]3CN(C(=O)[O-])CCC3=O)n2)c(OC)c1 ZINC000829252506 603683059 /nfs/dbraw/zinc/68/30/59/603683059.db2.gz VXLFWCJLTMHHEJ-CYBMUJFWSA-N -1 1 378.410 1.902 20 0 GDADMM C[C@@H]1CCCN(C(=O)CCN2CCN(c3ccccn3)CC2)[C@@H]1CNC(=O)[O-] ZINC000825904115 603686232 /nfs/dbraw/zinc/68/62/32/603686232.db2.gz BNNBPIJOXVOBKW-IAGOWNOFSA-N -1 1 389.500 1.488 20 0 GDADMM CCN1CCN(CC(=O)NC[C@@H](NC(=O)[O-])c2ccc(C(C)C)cc2)CC1 ZINC000827223315 603749783 /nfs/dbraw/zinc/74/97/83/603749783.db2.gz RQEMJCWGYQIQNJ-GOSISDBHSA-N -1 1 376.501 1.872 20 0 GDADMM O=S(=O)(NCC[C@H](O)c1ccccc1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826490849 607654984 /nfs/dbraw/zinc/65/49/84/607654984.db2.gz JVGNQPUPULWKCK-ZDUSSCGKSA-N -1 1 393.856 1.922 20 0 GDADMM O=S(=O)(NCC[C@H](O)c1ccccc1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826490849 607654986 /nfs/dbraw/zinc/65/49/86/607654986.db2.gz JVGNQPUPULWKCK-ZDUSSCGKSA-N -1 1 393.856 1.922 20 0 GDADMM CC(C)[C@H](CCN(C)[C@H](C)C(=O)N1CCN(c2ncccn2)CC1)NC(=O)[O-] ZINC000824100429 603852828 /nfs/dbraw/zinc/85/28/28/603852828.db2.gz 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O=C([O-])N1CCO[C@H](C(=O)OCc2nc3ccc(Br)cc3[nH]2)C1 ZINC000834287056 605783051 /nfs/dbraw/zinc/78/30/51/605783051.db2.gz ZSYFRFPIIDLENG-NSHDSACASA-N -1 1 384.186 1.747 20 0 GDADMM CC(=O)N1CCCN([C@H]2CN(C(=O)[C@@H](NC(=O)[O-])C(C)(C)C)C[C@@H]2C)CC1 ZINC000823555429 605798262 /nfs/dbraw/zinc/79/82/62/605798262.db2.gz CQZDHSFTUXPWMQ-CWRNSKLLSA-N -1 1 382.505 1.070 20 0 GDADMM C[C@H](OC(=O)c1cc(C(=O)[O-])no1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000833534049 605822175 /nfs/dbraw/zinc/82/21/75/605822175.db2.gz QRYJXSWVWOQBCY-JSGCOSHPSA-N -1 1 387.392 1.309 20 0 GDADMM C[C@@H]1C[C@@H](CNC(=O)[O-])CN1CC(=O)NCc1ccccc1Cn1cccn1 ZINC000833830086 605884433 /nfs/dbraw/zinc/88/44/33/605884433.db2.gz JMQWCWQRMMINKN-CVEARBPZSA-N -1 1 385.468 1.526 20 0 GDADMM O=C([O-])N1CCCN(C(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)CC1 ZINC000834053722 605928924 /nfs/dbraw/zinc/92/89/24/605928924.db2.gz ATCPKAJNWFBTJE-UHFFFAOYSA-N -1 1 381.339 1.651 20 0 GDADMM O=C([O-])N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C1 ZINC000834180812 605929692 /nfs/dbraw/zinc/92/96/92/605929692.db2.gz DHSNTMSEGKGSGE-SECBINFHSA-N -1 1 381.339 1.698 20 0 GDADMM O=C([O-])N[C@@H]1CCC[C@H]1NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000834177193 605981224 /nfs/dbraw/zinc/98/12/24/605981224.db2.gz VPPNOKFJXGBTEU-CHWSQXEVSA-N -1 1 389.499 1.047 20 0 GDADMM O=C([O-])N1CCC[C@@H](OCC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)C1 ZINC000834107376 606094337 /nfs/dbraw/zinc/09/43/37/606094337.db2.gz XGYHXMAEMHZGPE-ZIAGYGMSSA-N -1 1 377.445 1.547 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)NCc1ccc(F)cc1 ZINC000820512923 606137268 /nfs/dbraw/zinc/13/72/68/606137268.db2.gz PMYRIVWFWCCAAW-VIFPVBQESA-N -1 1 375.385 1.929 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)NCc1ccc(F)cc1 ZINC000820512923 606137269 /nfs/dbraw/zinc/13/72/69/606137269.db2.gz PMYRIVWFWCCAAW-VIFPVBQESA-N -1 1 375.385 1.929 20 0 GDADMM C[C@H]1CCCC[C@@H]1OCCNC(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820702912 606137809 /nfs/dbraw/zinc/13/78/09/606137809.db2.gz BJYBLSVCTBMLHE-RYUDHWBXSA-N -1 1 393.469 1.797 20 0 GDADMM C[C@H]1CCCC[C@@H]1OCCNC(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820702912 606137810 /nfs/dbraw/zinc/13/78/10/606137810.db2.gz BJYBLSVCTBMLHE-RYUDHWBXSA-N -1 1 393.469 1.797 20 0 GDADMM Cc1cc(=O)n2nc(COC(=O)c3ccc(-c4nnn[n-]4)s3)sc2n1 ZINC000822161026 606139625 /nfs/dbraw/zinc/13/96/25/606139625.db2.gz NJFHZUNGFVOZNK-UHFFFAOYSA-N -1 1 375.395 1.058 20 0 GDADMM Cc1cc(=O)n2nc(COC(=O)c3ccc(-c4nn[n-]n4)s3)sc2n1 ZINC000822161026 606139626 /nfs/dbraw/zinc/13/96/26/606139626.db2.gz NJFHZUNGFVOZNK-UHFFFAOYSA-N -1 1 375.395 1.058 20 0 GDADMM Cc1ccc(CNC(=O)C2CCN(c3nccnc3-c3nnn[n-]3)CC2)cc1 ZINC000822237414 606141085 /nfs/dbraw/zinc/14/10/85/606141085.db2.gz SHEGMGFDUJVGOH-UHFFFAOYSA-N -1 1 378.440 1.498 20 0 GDADMM Cc1ccc(CNC(=O)C2CCN(c3nccnc3-c3nn[n-]n3)CC2)cc1 ZINC000822237414 606141087 /nfs/dbraw/zinc/14/10/87/606141087.db2.gz SHEGMGFDUJVGOH-UHFFFAOYSA-N -1 1 378.440 1.498 20 0 GDADMM CCc1cnc(CN(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)s1 ZINC000821497771 606146312 /nfs/dbraw/zinc/14/63/12/606146312.db2.gz ZWPJHOLNRJVLSD-UHFFFAOYSA-N -1 1 382.446 1.845 20 0 GDADMM CCc1cnc(CN(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)s1 ZINC000821497771 606146314 /nfs/dbraw/zinc/14/63/14/606146314.db2.gz ZWPJHOLNRJVLSD-UHFFFAOYSA-N -1 1 382.446 1.845 20 0 GDADMM CCCC(=O)Nc1cccc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC000821009637 606157011 /nfs/dbraw/zinc/15/70/11/606157011.db2.gz XHFFKXRBKBKJHF-UHFFFAOYSA-N -1 1 383.416 1.661 20 0 GDADMM CCCC(=O)Nc1cccc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC000821009637 606157013 /nfs/dbraw/zinc/15/70/13/606157013.db2.gz XHFFKXRBKBKJHF-UHFFFAOYSA-N -1 1 383.416 1.661 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)n1 ZINC000822614597 606159802 /nfs/dbraw/zinc/15/98/02/606159802.db2.gz OEFJNUZSQBFELA-HIFRSBDPSA-N -1 1 382.428 1.890 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)n1 ZINC000822614597 606159804 /nfs/dbraw/zinc/15/98/04/606159804.db2.gz OEFJNUZSQBFELA-HIFRSBDPSA-N -1 1 382.428 1.890 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H](Cc2nccn2C)c2ccccc2)n1 ZINC000822609432 606161230 /nfs/dbraw/zinc/16/12/30/606161230.db2.gz NYSHJRRSQNWOHC-AWEZNQCLSA-N -1 1 392.427 1.439 20 0 GDADMM CN(C(=O)Nc1nn(C)cc1-c1nnn[n-]1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000821572274 606162608 /nfs/dbraw/zinc/16/26/08/606162608.db2.gz YHFAIAWWVBYINO-JTQLQIEISA-N -1 1 391.436 1.073 20 0 GDADMM CN(C(=O)Nc1nn(C)cc1-c1nn[n-]n1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000821572274 606162610 /nfs/dbraw/zinc/16/26/10/606162610.db2.gz YHFAIAWWVBYINO-JTQLQIEISA-N -1 1 391.436 1.073 20 0 GDADMM COC(=O)C=Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000747612703 606162845 /nfs/dbraw/zinc/16/28/45/606162845.db2.gz SKRWPHAUKSGXIS-NYYWCZLTSA-N -1 1 385.405 1.854 20 0 GDADMM CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821610055 606168238 /nfs/dbraw/zinc/16/82/38/606168238.db2.gz YGRPGRANTKYHPA-UHFFFAOYSA-N -1 1 395.427 1.156 20 0 GDADMM CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821610055 606168239 /nfs/dbraw/zinc/16/82/39/606168239.db2.gz YGRPGRANTKYHPA-UHFFFAOYSA-N -1 1 395.427 1.156 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)n1 ZINC000822609795 606168691 /nfs/dbraw/zinc/16/86/91/606168691.db2.gz VJGQJKNKNVFTQC-KBPBESRZSA-N -1 1 386.391 1.781 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)n1 ZINC000822609795 606168693 /nfs/dbraw/zinc/16/86/93/606168693.db2.gz VJGQJKNKNVFTQC-KBPBESRZSA-N -1 1 386.391 1.781 20 0 GDADMM COC(=O)[C@H]1CCC[C@H](C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000821655670 606185936 /nfs/dbraw/zinc/18/59/36/606185936.db2.gz PMLSISMMUBVVHC-QWRGUYRKSA-N -1 1 375.433 1.736 20 0 GDADMM COC(=O)[C@H]1CCC[C@H](C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000821655670 606185938 /nfs/dbraw/zinc/18/59/38/606185938.db2.gz PMLSISMMUBVVHC-QWRGUYRKSA-N -1 1 375.433 1.736 20 0 GDADMM O=C(CCN1C(=O)COc2ccccc21)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822965082 606194415 /nfs/dbraw/zinc/19/44/15/606194415.db2.gz ZLKARDDWWHIJKZ-UHFFFAOYSA-N -1 1 380.364 1.327 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1CN(Cc2ccccc2)CCO1 ZINC000823294950 606195622 /nfs/dbraw/zinc/19/56/22/606195622.db2.gz ZAPBUYOKEIQPRM-QGZVFWFLSA-N -1 1 380.408 1.412 20 0 GDADMM O=C(CC[C@@H]1CCOC1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000822949971 606279311 /nfs/dbraw/zinc/27/93/11/606279311.db2.gz AMAKVDSNTPABQI-GFCCVEGCSA-N -1 1 387.444 1.197 20 0 GDADMM C[C@H]1C[N@H+](Cc2cccc(CNC(=O)c3cc(-c4nn[nH]n4)cn3C)c2)CCO1 ZINC000820759771 606282901 /nfs/dbraw/zinc/28/29/01/606282901.db2.gz NNYKODJVTGMBSG-AWEZNQCLSA-N -1 1 395.467 1.356 20 0 GDADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)[C@@H](O)c1c(F)cccc1Cl ZINC000820391380 606289939 /nfs/dbraw/zinc/28/99/39/606289939.db2.gz OMPUZZQIIQQLIL-RMLUDKJBSA-N -1 1 376.779 1.906 20 0 GDADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)[C@@H](O)c1c(F)cccc1Cl ZINC000820391380 606289940 /nfs/dbraw/zinc/28/99/40/606289940.db2.gz OMPUZZQIIQQLIL-RMLUDKJBSA-N -1 1 376.779 1.906 20 0 GDADMM Cn1nc(CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c2ccccc2c1=O ZINC000822704071 606295849 /nfs/dbraw/zinc/29/58/49/606295849.db2.gz GKGQRPCTNBYGNE-UHFFFAOYSA-N -1 1 377.364 1.000 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cc(N2CCOC2=O)ccc1F ZINC000823294799 606297118 /nfs/dbraw/zinc/29/71/18/606297118.db2.gz RRCSYROGYRRAAV-UHFFFAOYSA-N -1 1 384.327 1.920 20 0 GDADMM COc1cc(OC)cc(N2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)nc3)C2)c1 ZINC000821723530 606300827 /nfs/dbraw/zinc/30/08/27/606300827.db2.gz CYAKHRIJSLHWNQ-CYBMUJFWSA-N -1 1 395.423 1.288 20 0 GDADMM COc1cc(OC)cc(N2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)nc3)C2)c1 ZINC000821723530 606300828 /nfs/dbraw/zinc/30/08/28/606300828.db2.gz CYAKHRIJSLHWNQ-CYBMUJFWSA-N -1 1 395.423 1.288 20 0 GDADMM O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000822912172 606315358 /nfs/dbraw/zinc/31/53/58/606315358.db2.gz POOYROLHMYTQEJ-IMRBUKKESA-N -1 1 395.423 1.809 20 0 GDADMM CCN1C(=S)N[C@@H](c2ccc(-c3nn[n-]n3)s2)C(C(=O)N(C)C)=C1C ZINC000821242623 606393471 /nfs/dbraw/zinc/39/34/71/606393471.db2.gz VOZTXMLIJQXZJO-LBPRGKRZSA-N -1 1 377.499 1.542 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OCC[C@@H]1CCCO1 ZINC000822459278 606437789 /nfs/dbraw/zinc/43/77/89/606437789.db2.gz PKPRZQXYAAJPLQ-ZDUSSCGKSA-N -1 1 385.428 1.571 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OCC[C@@H]1CCCO1 ZINC000822459278 606437791 /nfs/dbraw/zinc/43/77/91/606437791.db2.gz PKPRZQXYAAJPLQ-ZDUSSCGKSA-N -1 1 385.428 1.571 20 0 GDADMM Nc1nc(CN2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)nc2ccccc12 ZINC000822907596 606448087 /nfs/dbraw/zinc/44/80/87/606448087.db2.gz USUIPDNABCVJPO-UHFFFAOYSA-N -1 1 388.439 1.109 20 0 GDADMM Nc1nc(CN2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)nc2ccccc12 ZINC000822907596 606448089 /nfs/dbraw/zinc/44/80/89/606448089.db2.gz USUIPDNABCVJPO-UHFFFAOYSA-N -1 1 388.439 1.109 20 0 GDADMM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000820443900 606474112 /nfs/dbraw/zinc/47/41/12/606474112.db2.gz AQRLBUZWGQVTGJ-MMPTUQATSA-N -1 1 386.437 1.493 20 0 GDADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000820443900 606474113 /nfs/dbraw/zinc/47/41/13/606474113.db2.gz AQRLBUZWGQVTGJ-MMPTUQATSA-N -1 1 386.437 1.493 20 0 GDADMM CN(C[C@@H]1CCOC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000821598345 606484438 /nfs/dbraw/zinc/48/44/38/606484438.db2.gz ZFKKTGHBOLPPGX-VIFPVBQESA-N -1 1 391.375 1.543 20 0 GDADMM CCO[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1(CC)CC ZINC000821357313 606484622 /nfs/dbraw/zinc/48/46/22/606484622.db2.gz BZEVCEWWEGOQLL-ZIAGYGMSSA-N -1 1 380.474 1.524 20 0 GDADMM CCO[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1(CC)CC ZINC000821357313 606484624 /nfs/dbraw/zinc/48/46/24/606484624.db2.gz BZEVCEWWEGOQLL-ZIAGYGMSSA-N -1 1 380.474 1.524 20 0 GDADMM COC(=O)CNC(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821662669 606497024 /nfs/dbraw/zinc/49/70/24/606497024.db2.gz MQKPAXYSJDZYBR-UHFFFAOYSA-N -1 1 386.393 1.083 20 0 GDADMM COC(=O)CNC(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821662669 606497027 /nfs/dbraw/zinc/49/70/27/606497027.db2.gz MQKPAXYSJDZYBR-UHFFFAOYSA-N -1 1 386.393 1.083 20 0 GDADMM COc1cc(OC)c(CCNC(=O)c2ccc(-c3nnn[n-]3)s2)c(OC)c1 ZINC000821723507 606555708 /nfs/dbraw/zinc/55/57/08/606555708.db2.gz BWNFFQMTEVEFQH-UHFFFAOYSA-N -1 1 389.437 1.927 20 0 GDADMM COc1cc(OC)c(CCNC(=O)c2ccc(-c3nn[n-]n3)s2)c(OC)c1 ZINC000821723507 606555710 /nfs/dbraw/zinc/55/57/10/606555710.db2.gz BWNFFQMTEVEFQH-UHFFFAOYSA-N -1 1 389.437 1.927 20 0 GDADMM CCc1cc(N2CCC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)s3)C2)ncn1 ZINC000821470660 606559687 /nfs/dbraw/zinc/55/96/87/606559687.db2.gz RKEBNWYVNWALFR-GFCCVEGCSA-N -1 1 384.469 1.679 20 0 GDADMM CCc1cc(N2CCC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)s3)C2)ncn1 ZINC000821470660 606559688 /nfs/dbraw/zinc/55/96/88/606559688.db2.gz RKEBNWYVNWALFR-GFCCVEGCSA-N -1 1 384.469 1.679 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCN(c2ncnc3ccsc32)CC1 ZINC000823483534 606572307 /nfs/dbraw/zinc/57/23/07/606572307.db2.gz IWWUKWFSXPWOJF-UHFFFAOYSA-N -1 1 398.477 1.895 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCN(c2ncnc3ccsc32)CC1 ZINC000823483534 606572309 /nfs/dbraw/zinc/57/23/09/606572309.db2.gz IWWUKWFSXPWOJF-UHFFFAOYSA-N -1 1 398.477 1.895 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@@H]1CCO[C@H]1C(C)C ZINC000822004631 606586402 /nfs/dbraw/zinc/58/64/02/606586402.db2.gz JXYZTOHQQPSMBK-GUYCJALGSA-N -1 1 388.472 1.694 20 0 GDADMM Cc1ccccc1[C@@H](CC(=O)OCc1ccnc(-c2nnn[n-]2)c1)NC(N)=O ZINC000822345182 606650644 /nfs/dbraw/zinc/65/06/44/606650644.db2.gz HDVCVNHHRHWAAM-CQSZACIVSA-N -1 1 381.396 1.413 20 0 GDADMM Cc1ccccc1[C@@H](CC(=O)OCc1ccnc(-c2nn[n-]n2)c1)NC(N)=O ZINC000822345182 606650645 /nfs/dbraw/zinc/65/06/45/606650645.db2.gz HDVCVNHHRHWAAM-CQSZACIVSA-N -1 1 381.396 1.413 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000823436201 606652391 /nfs/dbraw/zinc/65/23/91/606652391.db2.gz LWRSXWQVHIPRCR-GFCCVEGCSA-N -1 1 382.355 1.497 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000823436201 606652392 /nfs/dbraw/zinc/65/23/92/606652392.db2.gz LWRSXWQVHIPRCR-GFCCVEGCSA-N -1 1 382.355 1.497 20 0 GDADMM O=C(NCCOc1ccc(C(F)(F)F)cn1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823216046 606743161 /nfs/dbraw/zinc/74/31/61/606743161.db2.gz XBGGASGVYZJKDU-UHFFFAOYSA-N -1 1 379.302 1.484 20 0 GDADMM O=C(NCCOc1ccc(C(F)(F)F)cn1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823216046 606743162 /nfs/dbraw/zinc/74/31/62/606743162.db2.gz XBGGASGVYZJKDU-UHFFFAOYSA-N -1 1 379.302 1.484 20 0 GDADMM COc1ccc2c(c1)CCN2S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821850095 606763633 /nfs/dbraw/zinc/76/36/33/606763633.db2.gz WXHMONQFVLGIKU-UHFFFAOYSA-N -1 1 375.385 1.766 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1nc(-c2ccco2)no1 ZINC000820804676 606785558 /nfs/dbraw/zinc/78/55/58/606785558.db2.gz XJRLBTZPJFZBSU-NSHDSACASA-N -1 1 394.399 1.010 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1nc(-c2ccco2)no1 ZINC000820804676 606785560 /nfs/dbraw/zinc/78/55/60/606785560.db2.gz XJRLBTZPJFZBSU-NSHDSACASA-N -1 1 394.399 1.010 20 0 GDADMM O=C(COC(=O)[C@@H]1CCSC1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000823017916 606798865 /nfs/dbraw/zinc/79/88/65/606798865.db2.gz FOGWALXXPGJZIG-LLVKDONJSA-N -1 1 399.436 1.287 20 0 GDADMM O=C(COC(=O)[C@@H]1CCSC1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000823017916 606798866 /nfs/dbraw/zinc/79/88/66/606798866.db2.gz FOGWALXXPGJZIG-LLVKDONJSA-N -1 1 399.436 1.287 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1ncnc2ccsc21 ZINC000820804289 606807330 /nfs/dbraw/zinc/80/73/30/606807330.db2.gz PPPQCGHWIUBTFG-SNVBAGLBSA-N -1 1 380.441 1.377 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1ncnc2ccsc21 ZINC000820804289 606807331 /nfs/dbraw/zinc/80/73/31/606807331.db2.gz PPPQCGHWIUBTFG-SNVBAGLBSA-N -1 1 380.441 1.377 20 0 GDADMM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000821931990 606808134 /nfs/dbraw/zinc/80/81/34/606808134.db2.gz ICFGUWNVFYAWOS-WCQYABFASA-N -1 1 387.469 1.545 20 0 GDADMM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000821931990 606808136 /nfs/dbraw/zinc/80/81/36/606808136.db2.gz ICFGUWNVFYAWOS-WCQYABFASA-N -1 1 387.469 1.545 20 0 GDADMM CC[C@@H]1CCC[C@@H]1NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820972501 606811171 /nfs/dbraw/zinc/81/11/71/606811171.db2.gz OHMAFBMRVQLHNP-MJBXVCDLSA-N -1 1 385.476 1.456 20 0 GDADMM CC[C@@H]1CCC[C@@H]1NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820972501 606811173 /nfs/dbraw/zinc/81/11/73/606811173.db2.gz OHMAFBMRVQLHNP-MJBXVCDLSA-N -1 1 385.476 1.456 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000822535302 606812305 /nfs/dbraw/zinc/81/23/05/606812305.db2.gz MVLAXJCUWDQGCO-KGLIPLIRSA-N -1 1 398.423 1.579 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000822535302 606812307 /nfs/dbraw/zinc/81/23/07/606812307.db2.gz MVLAXJCUWDQGCO-KGLIPLIRSA-N -1 1 398.423 1.579 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc2ccccc2[nH]1 ZINC000820789040 606820017 /nfs/dbraw/zinc/82/00/17/606820017.db2.gz UHFNDLSXWNAWAO-LBPRGKRZSA-N -1 1 389.423 1.489 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc2ccccc2[nH]1 ZINC000820789040 606820018 /nfs/dbraw/zinc/82/00/18/606820018.db2.gz UHFNDLSXWNAWAO-LBPRGKRZSA-N -1 1 389.423 1.489 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)Cc1ccc(F)cc1 ZINC000820774495 606821390 /nfs/dbraw/zinc/82/13/90/606821390.db2.gz DRUUTIQCLLCZBS-GFCCVEGCSA-N -1 1 382.403 1.076 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)Cc1ccc(F)cc1 ZINC000820774495 606821391 /nfs/dbraw/zinc/82/13/91/606821391.db2.gz DRUUTIQCLLCZBS-GFCCVEGCSA-N -1 1 382.403 1.076 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc2ccsc2[nH]1 ZINC000820788462 606821870 /nfs/dbraw/zinc/82/18/70/606821870.db2.gz HQMGIVHDVRBNNH-SNVBAGLBSA-N -1 1 395.452 1.550 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc2ccsc2[nH]1 ZINC000820788462 606821871 /nfs/dbraw/zinc/82/18/71/606821871.db2.gz HQMGIVHDVRBNNH-SNVBAGLBSA-N -1 1 395.452 1.550 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1coc2ccccc12 ZINC000820788607 606822085 /nfs/dbraw/zinc/82/20/85/606822085.db2.gz KMXUTAHZOBJAFL-GFCCVEGCSA-N -1 1 390.407 1.754 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1coc2ccccc12 ZINC000820788607 606822086 /nfs/dbraw/zinc/82/20/86/606822086.db2.gz KMXUTAHZOBJAFL-GFCCVEGCSA-N -1 1 390.407 1.754 20 0 GDADMM C[C@@H]1CCC[C@H](NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)[C@@H]1C ZINC000820698204 606826343 /nfs/dbraw/zinc/82/63/43/606826343.db2.gz RDDIIQBHTRLTIU-BARDWOONSA-N -1 1 399.503 1.702 20 0 GDADMM C[C@@H]1CCC[C@H](NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)[C@@H]1C ZINC000820698204 606826344 /nfs/dbraw/zinc/82/63/44/606826344.db2.gz RDDIIQBHTRLTIU-BARDWOONSA-N -1 1 399.503 1.702 20 0 GDADMM Cc1ccc(F)cc1NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000822241145 606832213 /nfs/dbraw/zinc/83/22/13/606832213.db2.gz MENSKTMXQQNPTF-LBPRGKRZSA-N -1 1 397.418 1.847 20 0 GDADMM Cc1ccc(F)cc1NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000822241145 606832215 /nfs/dbraw/zinc/83/22/15/606832215.db2.gz MENSKTMXQQNPTF-LBPRGKRZSA-N -1 1 397.418 1.847 20 0 GDADMM CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821001370 606840210 /nfs/dbraw/zinc/84/02/10/606840210.db2.gz QUOZQWDFIQWCNN-MCRQLQJRSA-N -1 1 388.453 1.563 20 0 GDADMM CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821001370 606840211 /nfs/dbraw/zinc/84/02/11/606840211.db2.gz QUOZQWDFIQWCNN-MCRQLQJRSA-N -1 1 388.453 1.563 20 0 GDADMM CN(CCOCc1ccccc1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000821603819 606848540 /nfs/dbraw/zinc/84/85/40/606848540.db2.gz QCOJPOUTPOFQDO-UHFFFAOYSA-N -1 1 391.428 1.843 20 0 GDADMM CN(CCOCc1ccccc1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000821603819 606848541 /nfs/dbraw/zinc/84/85/41/606848541.db2.gz QCOJPOUTPOFQDO-UHFFFAOYSA-N -1 1 391.428 1.843 20 0 GDADMM Cc1ccc(F)cc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000822241399 606855602 /nfs/dbraw/zinc/85/56/02/606855602.db2.gz UYJATHKPZQEGNK-GFCCVEGCSA-N -1 1 382.403 1.455 20 0 GDADMM Cc1ccc(F)cc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000822241399 606855604 /nfs/dbraw/zinc/85/56/04/606855604.db2.gz UYJATHKPZQEGNK-GFCCVEGCSA-N -1 1 382.403 1.455 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCO[C@H](c2ccsc2)C1 ZINC000823601126 606943011 /nfs/dbraw/zinc/94/30/11/606943011.db2.gz SGHDKXFLKGIYKF-AWEZNQCLSA-N -1 1 395.441 1.830 20 0 GDADMM Nc1n[nH]c(CCCNC(=O)Nc2cc(F)cc(Cl)c2)c1-c1nnn[n-]1 ZINC000822907430 606956197 /nfs/dbraw/zinc/95/61/97/606956197.db2.gz MIFHEDGSJNLVQL-UHFFFAOYSA-N -1 1 379.787 1.719 20 0 GDADMM Nc1n[nH]c(CCCNC(=O)Nc2cc(F)cc(Cl)c2)c1-c1nn[n-]n1 ZINC000822907430 606956199 /nfs/dbraw/zinc/95/61/99/606956199.db2.gz MIFHEDGSJNLVQL-UHFFFAOYSA-N -1 1 379.787 1.719 20 0 GDADMM O=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1ncc(-c2nnn[n-]2)s1 ZINC000823074310 607024688 /nfs/dbraw/zinc/02/46/88/607024688.db2.gz POAPOMXBDMWBLK-UHFFFAOYSA-N -1 1 378.801 1.929 20 0 GDADMM O=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1ncc(-c2nn[n-]n2)s1 ZINC000823074310 607024690 /nfs/dbraw/zinc/02/46/90/607024690.db2.gz POAPOMXBDMWBLK-UHFFFAOYSA-N -1 1 378.801 1.929 20 0 GDADMM Cc1cc(Cl)ncc1NC(=O)NCCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000822202278 607080130 /nfs/dbraw/zinc/08/01/30/607080130.db2.gz UEDDCIVOHHWHSV-UHFFFAOYSA-N -1 1 376.812 1.283 20 0 GDADMM Cc1cc(Cl)ncc1NC(=O)NCCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000822202278 607080132 /nfs/dbraw/zinc/08/01/32/607080132.db2.gz UEDDCIVOHHWHSV-UHFFFAOYSA-N -1 1 376.812 1.283 20 0 GDADMM COc1cc(-c2nn[nH]n2)ccc1OCCCC(=O)[N-]OCC(F)(F)F ZINC000821701587 607099606 /nfs/dbraw/zinc/09/96/06/607099606.db2.gz UPRORFDJWAZSBJ-UHFFFAOYSA-N -1 1 375.307 1.644 20 0 GDADMM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1-n1cccn1 ZINC000820444163 607128684 /nfs/dbraw/zinc/12/86/84/607128684.db2.gz HFNATNPGIZEINT-LBPRGKRZSA-N -1 1 396.436 1.487 20 0 GDADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1-n1cccn1 ZINC000820444163 607128685 /nfs/dbraw/zinc/12/86/85/607128685.db2.gz HFNATNPGIZEINT-LBPRGKRZSA-N -1 1 396.436 1.487 20 0 GDADMM COC(=O)[C@]1(C)CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000821653562 607129147 /nfs/dbraw/zinc/12/91/47/607129147.db2.gz DUAJCAAMUFTXGD-CQSZACIVSA-N -1 1 385.833 1.094 20 0 GDADMM COC(=O)[C@]1(C)CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000821653562 607129149 /nfs/dbraw/zinc/12/91/49/607129149.db2.gz DUAJCAAMUFTXGD-CQSZACIVSA-N -1 1 385.833 1.094 20 0 GDADMM CSC[C@H](CCO)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000821956858 607187195 /nfs/dbraw/zinc/18/71/95/607187195.db2.gz ZJMIUXBFFMRUBE-NSHDSACASA-N -1 1 376.442 1.403 20 0 GDADMM CSC[C@H](CCO)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000821956858 607187196 /nfs/dbraw/zinc/18/71/96/607187196.db2.gz ZJMIUXBFFMRUBE-NSHDSACASA-N -1 1 376.442 1.403 20 0 GDADMM Cc1ccc(Oc2ccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)cn2)cc1C ZINC000822267253 607208249 /nfs/dbraw/zinc/20/82/49/607208249.db2.gz PUMOXLIHCSWSBB-UHFFFAOYSA-N -1 1 391.395 1.901 20 0 GDADMM CC[C@@H](C)[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1nc2ccccc2[nH]1 ZINC000820859474 607208812 /nfs/dbraw/zinc/20/88/12/607208812.db2.gz DZABNUGTAGSSJY-QMTHXVAHSA-N -1 1 380.416 1.238 20 0 GDADMM CC[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1nc(-c2ccccc2)c[nH]1 ZINC000820913684 607210298 /nfs/dbraw/zinc/21/02/98/607210298.db2.gz JEHOHIFGIPTYOF-GFCCVEGCSA-N -1 1 378.400 1.116 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccnn1[C@H]1CCCc2ccccc21 ZINC000823135948 607213737 /nfs/dbraw/zinc/21/37/37/607213737.db2.gz BMCZEIOQJDEKKP-AWEZNQCLSA-N -1 1 390.411 1.219 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H](COc1ccccc1)c1ccccc1 ZINC000823127176 607215710 /nfs/dbraw/zinc/21/57/10/607215710.db2.gz VYURSBMUPRDLGV-INIZCTEOSA-N -1 1 390.407 1.395 20 0 GDADMM CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821678240 607218255 /nfs/dbraw/zinc/21/82/55/607218255.db2.gz LNDXBMPTTNOQKP-ZANVPECISA-N -1 1 376.808 1.004 20 0 GDADMM COc1ccc(-c2ccc(CNC(=O)Cn3cnc(-c4nn[n-]n4)n3)cc2)cc1 ZINC000821727064 607219636 /nfs/dbraw/zinc/21/96/36/607219636.db2.gz AOGZGUPGDFVRIE-UHFFFAOYSA-N -1 1 390.407 1.450 20 0 GDADMM CCN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000821154589 607220396 /nfs/dbraw/zinc/22/03/96/607220396.db2.gz PQTHMIXKXOKAKX-HNNXBMFYSA-N -1 1 386.435 1.713 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H](c1ccccc1)c1cccc(F)c1 ZINC000823126044 607223137 /nfs/dbraw/zinc/22/31/37/607223137.db2.gz GEGINCABZCFYGZ-INIZCTEOSA-N -1 1 378.371 1.503 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H](Nc2ccccc2)C1 ZINC000823599919 607230237 /nfs/dbraw/zinc/23/02/37/607230237.db2.gz APQBHEXAEUBBOB-AWEZNQCLSA-N -1 1 385.453 1.527 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H](Nc2ccccc2)C1 ZINC000823599919 607230238 /nfs/dbraw/zinc/23/02/38/607230238.db2.gz APQBHEXAEUBBOB-AWEZNQCLSA-N -1 1 385.453 1.527 20 0 GDADMM COc1ccc(CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)[C@@H](C)C2CC2)cc1 ZINC000821794470 607236586 /nfs/dbraw/zinc/23/65/86/607236586.db2.gz IAOIRQNKTUQJTG-LBPRGKRZSA-N -1 1 382.428 1.294 20 0 GDADMM CC(=O)O[C@H]1CCCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)C1 ZINC000824005462 607791900 /nfs/dbraw/zinc/79/19/00/607791900.db2.gz TVNFVIQMAACYQI-ZDUSSCGKSA-N -1 1 384.396 1.727 20 0 GDADMM CC(=O)O[C@H]1CCCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)C1 ZINC000824005462 607791901 /nfs/dbraw/zinc/79/19/01/607791901.db2.gz TVNFVIQMAACYQI-ZDUSSCGKSA-N -1 1 384.396 1.727 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCO[C@@]3(CCc4ccccc43)C2)n1 ZINC000826357183 607804078 /nfs/dbraw/zinc/80/40/78/607804078.db2.gz VBZAUUWJEXWDAA-SFHVURJKSA-N -1 1 380.412 1.306 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCO[C@@]3(CCc4ccccc43)C2)n1 ZINC000826357183 607804079 /nfs/dbraw/zinc/80/40/79/607804079.db2.gz VBZAUUWJEXWDAA-SFHVURJKSA-N -1 1 380.412 1.306 20 0 GDADMM CN(CCc1nccs1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825950506 607811943 /nfs/dbraw/zinc/81/19/43/607811943.db2.gz QEHWXVSRPZZMAI-UHFFFAOYSA-N -1 1 384.874 1.840 20 0 GDADMM CN(CCc1nccs1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825950506 607811944 /nfs/dbraw/zinc/81/19/44/607811944.db2.gz QEHWXVSRPZZMAI-UHFFFAOYSA-N -1 1 384.874 1.840 20 0 GDADMM C[C@H](OC(=O)c1sccc1-c1nn[n-]n1)C(=O)c1ccc2c(c1)CC(=O)N2C ZINC000824729093 607856256 /nfs/dbraw/zinc/85/62/56/607856256.db2.gz INRGZHSAZFKEMI-VIFPVBQESA-N -1 1 397.416 1.875 20 0 GDADMM O=S(=O)(N[C@H](CO)CC(F)(F)F)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826487373 607938391 /nfs/dbraw/zinc/93/83/91/607938391.db2.gz MLGISUGWRYBCLV-LURJTMIESA-N -1 1 385.755 1.112 20 0 GDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCc2ccc(-c3nn[nH]n3)cc21 ZINC000826328210 607951127 /nfs/dbraw/zinc/95/11/27/607951127.db2.gz JBIYNVAHVCKAHF-UHFFFAOYSA-N -1 1 390.407 1.364 20 0 GDADMM C[C@@H](CO)CCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824435741 607972426 /nfs/dbraw/zinc/97/24/26/607972426.db2.gz PCBPMXBGFGLTNZ-SECBINFHSA-N -1 1 393.391 1.572 20 0 GDADMM CC(C)(C)n1ncc2c1ncnc2NCCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824152798 607988348 /nfs/dbraw/zinc/98/83/48/607988348.db2.gz NMFLGKLFXRFIJK-UHFFFAOYSA-N -1 1 382.436 1.111 20 0 GDADMM CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823989460 607997301 /nfs/dbraw/zinc/99/73/01/607997301.db2.gz YNHMDXIBVDZBAQ-MRXNPFEDSA-N -1 1 378.392 1.484 20 0 GDADMM O=S(=O)(CCn1ccnc1-c1nnn[n-]1)c1ccc(Br)cc1 ZINC000826485112 608013587 /nfs/dbraw/zinc/01/35/87/608013587.db2.gz CJQUBZXKVXIXAE-UHFFFAOYSA-N -1 1 383.231 1.300 20 0 GDADMM O=S(=O)(CCn1ccnc1-c1nn[n-]n1)c1ccc(Br)cc1 ZINC000826485112 608013588 /nfs/dbraw/zinc/01/35/88/608013588.db2.gz CJQUBZXKVXIXAE-UHFFFAOYSA-N -1 1 383.231 1.300 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)n1 ZINC000826356963 608073227 /nfs/dbraw/zinc/07/32/27/608073227.db2.gz MHDCCNZWNYFSBS-GFCCVEGCSA-N -1 1 399.390 1.056 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)n1 ZINC000826356963 608073228 /nfs/dbraw/zinc/07/32/28/608073228.db2.gz MHDCCNZWNYFSBS-GFCCVEGCSA-N -1 1 399.390 1.056 20 0 GDADMM CC[C@@H](C)n1ncc(Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)c1C1CC1 ZINC000825081655 608098624 /nfs/dbraw/zinc/09/86/24/608098624.db2.gz LNVBKILEDJRYQO-SECBINFHSA-N -1 1 385.432 1.053 20 0 GDADMM CC(C)(C)OC(=O)N1CCC2(C[C@H]2C(=O)n2ncc(-c3nn[n-]n3)c2N)CC1 ZINC000824103678 608119545 /nfs/dbraw/zinc/11/95/45/608119545.db2.gz GYXMEOIQHNAJDG-NSHDSACASA-N -1 1 388.432 1.323 20 0 GDADMM CS(=O)(=O)N1CCN(Cc2ccnc(-c3nnn[n-]3)c2)Cc2ccccc21 ZINC000826223407 608171261 /nfs/dbraw/zinc/17/12/61/608171261.db2.gz LUCPPIWOAYGDJJ-UHFFFAOYSA-N -1 1 385.453 1.044 20 0 GDADMM CS(=O)(=O)N1CCN(Cc2ccnc(-c3nn[n-]n3)c2)Cc2ccccc21 ZINC000826223407 608171262 /nfs/dbraw/zinc/17/12/62/608171262.db2.gz LUCPPIWOAYGDJJ-UHFFFAOYSA-N -1 1 385.453 1.044 20 0 GDADMM Cc1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])nn1-c1nc(C)cc(C)n1 ZINC000826265851 608171359 /nfs/dbraw/zinc/17/13/59/608171359.db2.gz QJZCBUXQYABQGF-UHFFFAOYSA-N -1 1 391.395 1.726 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@H]1SCCc2ccccc21 ZINC000825923731 608211292 /nfs/dbraw/zinc/21/12/92/608211292.db2.gz TUVFUMHQFVZAIG-HNNXBMFYSA-N -1 1 398.496 1.594 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@H]1SCCc2ccccc21 ZINC000825923731 608211294 /nfs/dbraw/zinc/21/12/94/608211294.db2.gz TUVFUMHQFVZAIG-HNNXBMFYSA-N -1 1 398.496 1.594 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C1(c2ccccc2F)CC1 ZINC000825923617 608211595 /nfs/dbraw/zinc/21/15/95/608211595.db2.gz OVOIMSPVISRGGT-UHFFFAOYSA-N -1 1 384.419 1.434 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C1(c2ccccc2F)CC1 ZINC000825923617 608211597 /nfs/dbraw/zinc/21/15/97/608211597.db2.gz OVOIMSPVISRGGT-UHFFFAOYSA-N -1 1 384.419 1.434 20 0 GDADMM CC(C)(C)OC(=O)CN1CCC[C@H]1COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000824100555 608248000 /nfs/dbraw/zinc/24/80/00/608248000.db2.gz UXPIERCEQKLOMN-NSHDSACASA-N -1 1 393.469 1.891 20 0 GDADMM CC(C)(C)OC(=O)CN1CCC[C@H]1COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000824100555 608248002 /nfs/dbraw/zinc/24/80/02/608248002.db2.gz UXPIERCEQKLOMN-NSHDSACASA-N -1 1 393.469 1.891 20 0 GDADMM COc1ccc([C@H](OC)[C@H](C)NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000826189480 608266390 /nfs/dbraw/zinc/26/63/90/608266390.db2.gz WRSIHURAVBOWRC-IINYFYTJSA-N -1 1 386.416 1.507 20 0 GDADMM COc1ccc([C@H](OC)[C@H](C)NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000826189480 608266392 /nfs/dbraw/zinc/26/63/92/608266392.db2.gz WRSIHURAVBOWRC-IINYFYTJSA-N -1 1 386.416 1.507 20 0 GDADMM CC(C)(C)OC(=O)N1CCC2(CCN(c3nccnc3-c3nnn[n-]3)C2)CC1 ZINC000824104412 608295876 /nfs/dbraw/zinc/29/58/76/608295876.db2.gz RXCVWGGNBALMLU-UHFFFAOYSA-N -1 1 386.460 1.884 20 0 GDADMM CC(C)(C)OC(=O)N1CCC2(CCN(c3nccnc3-c3nn[n-]n3)C2)CC1 ZINC000824104412 608295878 /nfs/dbraw/zinc/29/58/78/608295878.db2.gz RXCVWGGNBALMLU-UHFFFAOYSA-N -1 1 386.460 1.884 20 0 GDADMM Cc1nn(-c2ccccc2)c(CN2CCC[C@H]2c2nncn2C)c1-c1nn[n-]n1 ZINC000826332580 608322091 /nfs/dbraw/zinc/32/20/91/608322091.db2.gz YIXBQLKSARFUJF-HNNXBMFYSA-N -1 1 390.455 1.826 20 0 GDADMM COCC1(C)CCN(C(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)CC1 ZINC000826152922 608336017 /nfs/dbraw/zinc/33/60/17/608336017.db2.gz UBTGEXJDVHPSAQ-UHFFFAOYSA-N -1 1 388.472 1.792 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NC[C@H]2Cc3ccccc32)n1 ZINC000824147915 608346361 /nfs/dbraw/zinc/34/63/61/608346361.db2.gz IQCPQNYSKPOJIH-GFCCVEGCSA-N -1 1 394.439 1.213 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NC[C@H]2Cc3ccccc32)n1 ZINC000824147915 608346363 /nfs/dbraw/zinc/34/63/63/608346363.db2.gz IQCPQNYSKPOJIH-GFCCVEGCSA-N -1 1 394.439 1.213 20 0 GDADMM CCCC[C@H](COC)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825261284 608353575 /nfs/dbraw/zinc/35/35/75/608353575.db2.gz VXYHLLLQZCJKOX-LLVKDONJSA-N -1 1 392.464 1.078 20 0 GDADMM CCCC[C@H](COC)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825261284 608353576 /nfs/dbraw/zinc/35/35/76/608353576.db2.gz VXYHLLLQZCJKOX-LLVKDONJSA-N -1 1 392.464 1.078 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCCCC(F)(F)F)n1 ZINC000824147669 608353887 /nfs/dbraw/zinc/35/38/87/608353887.db2.gz GCQHDYVRKBXMQX-UHFFFAOYSA-N -1 1 388.354 1.215 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCCCC(F)(F)F)n1 ZINC000824147669 608353889 /nfs/dbraw/zinc/35/38/89/608353889.db2.gz GCQHDYVRKBXMQX-UHFFFAOYSA-N -1 1 388.354 1.215 20 0 GDADMM COc1ccc(NC(=O)Cn2cc(Nc3ccc(-c4nnn[n-]4)nn3)cn2)cc1 ZINC000826209820 608408526 /nfs/dbraw/zinc/40/85/26/608408526.db2.gz SCVBMDWUFPLOAH-UHFFFAOYSA-N -1 1 392.383 1.244 20 0 GDADMM COc1ccc(NC(=O)Cn2cc(Nc3ccc(-c4nn[n-]n4)nn3)cn2)cc1 ZINC000826209820 608408527 /nfs/dbraw/zinc/40/85/27/608408527.db2.gz SCVBMDWUFPLOAH-UHFFFAOYSA-N -1 1 392.383 1.244 20 0 GDADMM O[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826506374 608438100 /nfs/dbraw/zinc/43/81/00/608438100.db2.gz SXTFTCBPOYDEJH-WCQYABFASA-N -1 1 377.330 1.988 20 0 GDADMM O[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826506374 608438101 /nfs/dbraw/zinc/43/81/01/608438101.db2.gz SXTFTCBPOYDEJH-WCQYABFASA-N -1 1 377.330 1.988 20 0 GDADMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNc1ccc(C(F)(F)F)cn1 ZINC000530436821 649975877 /nfs/dbraw/zinc/97/58/77/649975877.db2.gz RZGIGFIBEDSZRF-UHFFFAOYSA-N -1 1 382.389 1.961 20 0 GDADMM CO[C@H]1CCC[C@@H]1CNC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000826146370 608547366 /nfs/dbraw/zinc/54/73/66/608547366.db2.gz UPWNXASLKPYSAG-CJNGLKHVSA-N -1 1 398.471 1.390 20 0 GDADMM CO[C@H]1CCC[C@@H]1CNC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000826146370 608547367 /nfs/dbraw/zinc/54/73/67/608547367.db2.gz UPWNXASLKPYSAG-CJNGLKHVSA-N -1 1 398.471 1.390 20 0 GDADMM C[C@@H](Oc1ccccc1F)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824754673 608559422 /nfs/dbraw/zinc/55/94/22/608559422.db2.gz JGTIGVWLOBWQBM-SNVBAGLBSA-N -1 1 388.407 1.170 20 0 GDADMM C[C@@H](Oc1ccccc1F)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824754673 608559423 /nfs/dbraw/zinc/55/94/23/608559423.db2.gz JGTIGVWLOBWQBM-SNVBAGLBSA-N -1 1 388.407 1.170 20 0 GDADMM Cc1ccc2oc(C(=O)N(C)CCCc3[nH]nc(N)c3-c3nnn[n-]3)cc2n1 ZINC000826295664 608559891 /nfs/dbraw/zinc/55/98/91/608559891.db2.gz SCYOSJNPCMTWDP-UHFFFAOYSA-N -1 1 381.400 1.326 20 0 GDADMM Cc1ccc2oc(C(=O)N(C)CCCc3[nH]nc(N)c3-c3nn[n-]n3)cc2n1 ZINC000826295664 608559892 /nfs/dbraw/zinc/55/98/92/608559892.db2.gz SCYOSJNPCMTWDP-UHFFFAOYSA-N -1 1 381.400 1.326 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)N2C[C@H](CO)OC[C@@H]2C)c1-c1nn[n-]n1 ZINC000826231469 608620383 /nfs/dbraw/zinc/62/03/83/608620383.db2.gz MVKODCXXDBHFKG-GXSJLCMTSA-N -1 1 390.469 1.083 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cn2cccc(F)c2n1 ZINC000824999567 608835178 /nfs/dbraw/zinc/83/51/78/608835178.db2.gz HZKOLWITPFOJOW-GFCCVEGCSA-N -1 1 394.418 1.154 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1cn2cccc(F)c2n1 ZINC000824999567 608835180 /nfs/dbraw/zinc/83/51/80/608835180.db2.gz HZKOLWITPFOJOW-GFCCVEGCSA-N -1 1 394.418 1.154 20 0 GDADMM CCC[C@H]1C[C@H](C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CCO1 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ZINC000820648516 945508437 /nfs/dbraw/zinc/50/84/37/945508437.db2.gz AXLNFIQTLFCFGX-UHFFFAOYSA-N -1 1 381.396 1.580 20 0 GDADMM CC1CC(C(=O)OCC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)C1 ZINC000820648516 945508441 /nfs/dbraw/zinc/50/84/41/945508441.db2.gz AXLNFIQTLFCFGX-UHFFFAOYSA-N -1 1 381.396 1.580 20 0 GDADMM CN(C(=O)c1c(F)cccc1F)C1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571267176 945562620 /nfs/dbraw/zinc/56/26/20/945562620.db2.gz LOLAZKDRKDUEMR-UHFFFAOYSA-N -1 1 386.366 1.650 20 0 GDADMM CN(C(=O)c1c(F)cccc1F)C1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571267176 945562628 /nfs/dbraw/zinc/56/26/28/945562628.db2.gz LOLAZKDRKDUEMR-UHFFFAOYSA-N -1 1 386.366 1.650 20 0 GDADMM CC[C@H](C)C(=O)Nc1cccc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC000820862617 945576818 /nfs/dbraw/zinc/57/68/18/945576818.db2.gz QVCQFVGROQITOS-NSHDSACASA-N -1 1 397.443 1.907 20 0 GDADMM CC[C@H](C)C(=O)Nc1cccc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC000820862617 945576824 /nfs/dbraw/zinc/57/68/24/945576824.db2.gz QVCQFVGROQITOS-NSHDSACASA-N -1 1 397.443 1.907 20 0 GDADMM O=C(N1CC[C@H]2[C@@H](CCN2c2nccnc2-c2nnn[n-]2)C1)C1(CF)CCC1 ZINC001571269314 945617908 /nfs/dbraw/zinc/61/79/08/945617908.db2.gz VCEUZUPHZDWPKN-STQMWFEESA-N -1 1 386.435 1.224 20 0 GDADMM O=C(N1CC[C@H]2[C@@H](CCN2c2nccnc2-c2nn[n-]n2)C1)C1(CF)CCC1 ZINC001571269314 945617912 /nfs/dbraw/zinc/61/79/12/945617912.db2.gz VCEUZUPHZDWPKN-STQMWFEESA-N -1 1 386.435 1.224 20 0 GDADMM COc1ccsc1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C ZINC001571269669 945622933 /nfs/dbraw/zinc/62/29/33/945622933.db2.gz BXEGROMWSUXCEA-ZJUUUORDSA-N -1 1 386.441 1.124 20 0 GDADMM COc1ccsc1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C ZINC001571269669 945622936 /nfs/dbraw/zinc/62/29/36/945622936.db2.gz BXEGROMWSUXCEA-ZJUUUORDSA-N -1 1 386.441 1.124 20 0 GDADMM CCc1nc(N[C@H]2C[C@@H](NC(=O)[C@H]3CCC[C@H]3OC)C2)cc(-c2nnn[n-]2)n1 ZINC001571272221 945657478 /nfs/dbraw/zinc/65/74/78/945657478.db2.gz BJBWXPGYMPFICY-KZVDOYCCSA-N -1 1 386.460 1.093 20 0 GDADMM CCc1nc(N[C@H]2C[C@@H](NC(=O)[C@H]3CCC[C@H]3OC)C2)cc(-c2nn[n-]n2)n1 ZINC001571272221 945657482 /nfs/dbraw/zinc/65/74/82/945657482.db2.gz BJBWXPGYMPFICY-KZVDOYCCSA-N -1 1 386.460 1.093 20 0 GDADMM CO[C@H](C(=O)N1C[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C(C)(C)C1)C1CC1 ZINC001571273063 945677826 /nfs/dbraw/zinc/67/78/26/945677826.db2.gz OFZOQZUXVHAYHE-KGLIPLIRSA-N -1 1 386.460 1.039 20 0 GDADMM CO[C@H](C(=O)N1C[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C(C)(C)C1)C1CC1 ZINC001571273063 945677834 /nfs/dbraw/zinc/67/78/34/945677834.db2.gz OFZOQZUXVHAYHE-KGLIPLIRSA-N -1 1 386.460 1.039 20 0 GDADMM O=C(CC[C@@H]1CCCCO1)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571273125 945679112 /nfs/dbraw/zinc/67/91/12/945679112.db2.gz PUZCCHHLNOFFBC-KGLIPLIRSA-N -1 1 386.460 1.409 20 0 GDADMM O=C(CC[C@@H]1CCCCO1)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571273125 945679114 /nfs/dbraw/zinc/67/91/14/945679114.db2.gz PUZCCHHLNOFFBC-KGLIPLIRSA-N -1 1 386.460 1.409 20 0 GDADMM Cc1nc(-c2nn[n-]n2)c(N2CCC(C(=O)NN3C[C@H]4CCC[C@@H]4C3)CC2)o1 ZINC001571273385 945685963 /nfs/dbraw/zinc/68/59/63/945685963.db2.gz WPDPRHQJDPXVCU-ZIAGYGMSSA-N -1 1 386.460 1.143 20 0 GDADMM O=C(C1CCOCC1)N1CCC[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571273482 945689980 /nfs/dbraw/zinc/68/99/80/945689980.db2.gz YEQNKBMODYHIEH-CYBMUJFWSA-N -1 1 386.460 1.124 20 0 GDADMM O=C(C1CCOCC1)N1CCC[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571273482 945689991 /nfs/dbraw/zinc/68/99/91/945689991.db2.gz YEQNKBMODYHIEH-CYBMUJFWSA-N -1 1 386.460 1.124 20 0 GDADMM O=C(C[C@@H]1CCCOC1)N[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571273546 945690230 /nfs/dbraw/zinc/69/02/30/945690230.db2.gz ZRRAPOOZUCEPGK-IHRRRGAJSA-N -1 1 386.460 1.313 20 0 GDADMM O=C(C[C@@H]1CCCOC1)N[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571273546 945690240 /nfs/dbraw/zinc/69/02/40/945690240.db2.gz ZRRAPOOZUCEPGK-IHRRRGAJSA-N -1 1 386.460 1.313 20 0 GDADMM O=C(c1c(F)cncc1F)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571275096 945702795 /nfs/dbraw/zinc/70/27/95/945702795.db2.gz PDXGSFROGOQYNE-SECBINFHSA-N -1 1 387.354 1.047 20 0 GDADMM O=C(c1c(F)cncc1F)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571275096 945702797 /nfs/dbraw/zinc/70/27/97/945702797.db2.gz PDXGSFROGOQYNE-SECBINFHSA-N -1 1 387.354 1.047 20 0 GDADMM CC1(C)CO[C@H](CC(=O)N2CC[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571275785 945715730 /nfs/dbraw/zinc/71/57/30/945715730.db2.gz CFUBMKWEXKLSQO-CHWSQXEVSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CO[C@H](CC(=O)N2CC[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571275785 945715742 /nfs/dbraw/zinc/71/57/42/945715742.db2.gz CFUBMKWEXKLSQO-CHWSQXEVSA-N -1 1 386.460 1.122 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CCc1nc2ccccc2[nH]1 ZINC000821600276 945738045 /nfs/dbraw/zinc/73/80/45/945738045.db2.gz FUTYELNDXYGGBZ-UHFFFAOYSA-N -1 1 394.443 1.072 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CCc1nc2ccccc2[nH]1 ZINC000821600276 945738051 /nfs/dbraw/zinc/73/80/51/945738051.db2.gz FUTYELNDXYGGBZ-UHFFFAOYSA-N -1 1 394.443 1.072 20 0 GDADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CCN(C(=O)C[C@H]2CCCO2)CC1 ZINC001571277604 945745120 /nfs/dbraw/zinc/74/51/20/945745120.db2.gz MKKXZNKYXBDUJG-TZMCWYRMSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CCN(C(=O)C[C@H]2CCCO2)CC1 ZINC001571277604 945745127 /nfs/dbraw/zinc/74/51/27/945745127.db2.gz MKKXZNKYXBDUJG-TZMCWYRMSA-N -1 1 386.460 1.265 20 0 GDADMM Cc1ncc(C(=O)N[C@@H]2CCCN(c3snc(C)c3-c3nn[n-]n3)[C@H]2C)[nH]1 ZINC001571281353 945800247 /nfs/dbraw/zinc/80/02/47/945800247.db2.gz GWALOBQWWLRQRO-GXSJLCMTSA-N -1 1 387.473 1.450 20 0 GDADMM Cc1cc(C(=O)NC[C@@H]2CCCCN2c2snc(C)c2-c2nn[n-]n2)[nH]n1 ZINC001571281658 945809540 /nfs/dbraw/zinc/80/95/40/945809540.db2.gz KVGUBGMPSWKOFE-NSHDSACASA-N -1 1 387.473 1.452 20 0 GDADMM Cc1nsc(N2C[C@@H]3[C@@H](CNC(=O)C4=COCCC4)[C@@H]3C2)c1-c1nn[n-]n1 ZINC001571281712 945809844 /nfs/dbraw/zinc/80/98/44/945809844.db2.gz MGUFXZHDKFXHRF-XYYAHUGASA-N -1 1 387.469 1.124 20 0 GDADMM CCn1cc(C(=O)N2C[C@@H](Nc3snc(C)c3-c3nn[n-]n3)C[C@H]2C)cn1 ZINC001571281762 945814230 /nfs/dbraw/zinc/81/42/30/945814230.db2.gz NICKRJSINNZQKP-SKDRFNHKSA-N -1 1 387.473 1.563 20 0 GDADMM CC(=O)N1CCc2cc(NC(=O)c3[nH]c(=O)c(-c4nn[n-]n4)cc3C)ccc21 ZINC001573451700 945844210 /nfs/dbraw/zinc/84/42/10/945844210.db2.gz YPLINKNNGZMCIK-UHFFFAOYSA-N -1 1 379.380 1.437 20 0 GDADMM CN(C[C@@H]1CCCN1C(=O)c1cc(Cl)c[nH]1)c1cncc(-c2nnn[n-]2)n1 ZINC001571284389 945899351 /nfs/dbraw/zinc/89/93/51/945899351.db2.gz PJBLFMQAJSJQSP-NSHDSACASA-N -1 1 387.835 1.379 20 0 GDADMM CN(C[C@@H]1CCCN1C(=O)c1cc(Cl)c[nH]1)c1cncc(-c2nn[n-]n2)n1 ZINC001571284389 945899359 /nfs/dbraw/zinc/89/93/59/945899359.db2.gz PJBLFMQAJSJQSP-NSHDSACASA-N -1 1 387.835 1.379 20 0 GDADMM C[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cc(Cl)c[nH]1 ZINC001571284378 945900140 /nfs/dbraw/zinc/90/01/40/945900140.db2.gz PDRMYTXNHWCHRA-ONGXEEELSA-N -1 1 387.835 1.743 20 0 GDADMM C[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(Cl)c[nH]1 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ZINC001571286973 945965961 /nfs/dbraw/zinc/96/59/61/945965961.db2.gz WZAXNVZLBSUVNJ-UHFFFAOYSA-N -1 1 388.432 1.786 20 0 GDADMM Cc1cc(NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)n(C(C)(C)C)n1 ZINC000822208224 945992513 /nfs/dbraw/zinc/99/25/13/945992513.db2.gz HIDCBNRCQLIDJK-UHFFFAOYSA-N -1 1 384.400 1.317 20 0 GDADMM Cc1cc(NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)n(C(C)(C)C)n1 ZINC000822208224 945992526 /nfs/dbraw/zinc/99/25/26/945992526.db2.gz HIDCBNRCQLIDJK-UHFFFAOYSA-N -1 1 384.400 1.317 20 0 GDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCCN(C(=O)C2(CF)CCC2)C1 ZINC001571289274 946002085 /nfs/dbraw/zinc/00/20/85/946002085.db2.gz YTHXNGHZHUNAQH-CHWSQXEVSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCCN(C(=O)C2(CF)CCC2)C1 ZINC001571289274 946002097 /nfs/dbraw/zinc/00/20/97/946002097.db2.gz YTHXNGHZHUNAQH-CHWSQXEVSA-N -1 1 388.451 1.836 20 0 GDADMM Cc1nc(C(=O)N[C@@H]2CC[C@H](CNc3snc(C)c3-c3nn[n-]n3)C2)co1 ZINC001571289749 946017152 /nfs/dbraw/zinc/01/71/52/946017152.db2.gz LSQIWZWAHVRRIC-WDEREUQCSA-N -1 1 388.457 1.939 20 0 GDADMM O=C(NCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C1CCC(F)CC1 ZINC001571289745 946017265 /nfs/dbraw/zinc/01/72/65/946017265.db2.gz LQKNPOUZLWFLJG-UHFFFAOYSA-N -1 1 388.451 1.518 20 0 GDADMM O=C(NCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C1CCC(F)CC1 ZINC001571289745 946017278 /nfs/dbraw/zinc/01/72/78/946017278.db2.gz LQKNPOUZLWFLJG-UHFFFAOYSA-N -1 1 388.451 1.518 20 0 GDADMM O=C(N[C@@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C1(F)CCCCC1 ZINC001571289790 946017584 /nfs/dbraw/zinc/01/75/84/946017584.db2.gz MOACHKZKHVEBIN-QWHCGFSZSA-N -1 1 388.451 1.448 20 0 GDADMM CO[C@@H](C(=O)N1C[C@@H](C)[C@H](CCNc2nccnc2-c2nnn[n-]2)C1)C(C)C ZINC001571289830 946019084 /nfs/dbraw/zinc/01/90/84/946019084.db2.gz NGMCXTNXONWBGA-UMVBOHGHSA-N -1 1 388.476 1.224 20 0 GDADMM CO[C@@H](C(=O)N1C[C@@H](C)[C@H](CCNc2nccnc2-c2nn[n-]n2)C1)C(C)C ZINC001571289830 946019102 /nfs/dbraw/zinc/01/91/02/946019102.db2.gz NGMCXTNXONWBGA-UMVBOHGHSA-N -1 1 388.476 1.224 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)c1ccc(Cl)o1 ZINC001571290337 946037310 /nfs/dbraw/zinc/03/73/10/946037310.db2.gz AWFJDASYQYOWNF-JTQLQIEISA-N -1 1 388.819 1.692 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)c1ccc(Cl)o1 ZINC001571290337 946037327 /nfs/dbraw/zinc/03/73/27/946037327.db2.gz AWFJDASYQYOWNF-JTQLQIEISA-N -1 1 388.819 1.692 20 0 GDADMM O=C(N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cc(Cl)ccc1F ZINC001571290322 946037456 /nfs/dbraw/zinc/03/74/56/946037456.db2.gz AMEBAVSNZRHNSK-SNVBAGLBSA-N -1 1 388.794 1.458 20 0 GDADMM O=C(N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cc(Cl)ccc1F ZINC001571290322 946037466 /nfs/dbraw/zinc/03/74/66/946037466.db2.gz AMEBAVSNZRHNSK-SNVBAGLBSA-N -1 1 388.794 1.458 20 0 GDADMM O=C(NC[C@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1)c1ccoc1Cl ZINC001571290405 946042686 /nfs/dbraw/zinc/04/26/86/946042686.db2.gz DFKNDLACYNCSQS-SNVBAGLBSA-N -1 1 388.819 1.692 20 0 GDADMM O=C(NC[C@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1)c1ccoc1Cl ZINC001571290405 946042695 /nfs/dbraw/zinc/04/26/95/946042695.db2.gz DFKNDLACYNCSQS-SNVBAGLBSA-N -1 1 388.819 1.692 20 0 GDADMM O=C(N[C@@H]1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1ccoc1Cl ZINC001571290650 946051927 /nfs/dbraw/zinc/05/19/27/946051927.db2.gz KVORYUHIAUNKJO-NXEZZACHSA-N -1 1 388.819 1.336 20 0 GDADMM O=C(c1c(F)cccc1Cl)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571290896 946058528 /nfs/dbraw/zinc/05/85/28/946058528.db2.gz TUKAQIDZNOCKHZ-VIFPVBQESA-N -1 1 388.794 1.776 20 0 GDADMM O=C(c1c(F)cccc1Cl)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571290896 946058544 /nfs/dbraw/zinc/05/85/44/946058544.db2.gz TUKAQIDZNOCKHZ-VIFPVBQESA-N -1 1 388.794 1.776 20 0 GDADMM Cc1nsc(N[C@@H]2CCCCCN(C(=O)c3cnon3)C2)c1-c1nn[n-]n1 ZINC001571293989 946122770 /nfs/dbraw/zinc/12/27/70/946122770.db2.gz XNYIAHLHVUIFRT-SNVBAGLBSA-N -1 1 389.445 1.512 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1 ZINC000822609434 946138359 /nfs/dbraw/zinc/13/83/59/946138359.db2.gz NZJUIXOYFCTZEV-JTQLQIEISA-N -1 1 391.436 1.121 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1 ZINC000822609434 946138369 /nfs/dbraw/zinc/13/83/69/946138369.db2.gz NZJUIXOYFCTZEV-JTQLQIEISA-N -1 1 391.436 1.121 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CC(F)(F)C2)C3)n1 ZINC001571295296 946159746 /nfs/dbraw/zinc/15/97/46/946159746.db2.gz WQQYAVMPNPMJPH-WZRBSPASSA-N -1 1 390.398 1.236 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CC(F)(F)C2)C3)n1 ZINC001571295296 946159751 /nfs/dbraw/zinc/15/97/51/946159751.db2.gz WQQYAVMPNPMJPH-WZRBSPASSA-N -1 1 390.398 1.236 20 0 GDADMM O=C([C@H]1C[C@@H]1C(F)F)N1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001571295363 946161067 /nfs/dbraw/zinc/16/10/67/946161067.db2.gz YWDCVLLVJMUADL-BQBZGAKWSA-N -1 1 389.819 1.526 20 0 GDADMM Cc1nsc(NC(=O)c2cc(C(=O)OC(C)(C)C)nn2C)c1-c1nnn[n-]1 ZINC001571295649 946170213 /nfs/dbraw/zinc/17/02/13/946170213.db2.gz AUHTXSLUXUAPDF-UHFFFAOYSA-N -1 1 390.429 1.573 20 0 GDADMM Cc1nsc(NC(=O)c2cc(C(=O)OC(C)(C)C)nn2C)c1-c1nn[n-]n1 ZINC001571295649 946170219 /nfs/dbraw/zinc/17/02/19/946170219.db2.gz AUHTXSLUXUAPDF-UHFFFAOYSA-N -1 1 390.429 1.573 20 0 GDADMM O=C(N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)C1CCC(F)(F)CC1 ZINC001571296524 946196163 /nfs/dbraw/zinc/19/61/63/946196163.db2.gz ZYIDZMSGUYQGND-GDNZZTSVSA-N -1 1 390.398 1.033 20 0 GDADMM O=C(N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)C1CCC(F)(F)CC1 ZINC001571296524 946196168 /nfs/dbraw/zinc/19/61/68/946196168.db2.gz ZYIDZMSGUYQGND-GDNZZTSVSA-N -1 1 390.398 1.033 20 0 GDADMM Cc1cccc([C@@H]2C[C@H]2C(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571298927 946234195 /nfs/dbraw/zinc/23/41/95/946234195.db2.gz LWSYQUSHVZHIBG-HRCADAONSA-N -1 1 390.451 1.782 20 0 GDADMM Cc1cccc([C@@H]2C[C@H]2C(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571298927 946234204 /nfs/dbraw/zinc/23/42/04/946234204.db2.gz LWSYQUSHVZHIBG-HRCADAONSA-N -1 1 390.451 1.782 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cccc2c1CCCC2 ZINC001571298966 946235683 /nfs/dbraw/zinc/23/56/83/946235683.db2.gz SMAWUMXYZDHVGM-HDJSIYSDSA-N -1 1 390.451 1.908 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cccc2c1CCCC2 ZINC001571298966 946235692 /nfs/dbraw/zinc/23/56/92/946235692.db2.gz SMAWUMXYZDHVGM-HDJSIYSDSA-N -1 1 390.451 1.908 20 0 GDADMM O=C([C@H]1Cc2ccccc21)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571298989 946236121 /nfs/dbraw/zinc/23/61/21/946236121.db2.gz MUESECMFAJVNNN-INIZCTEOSA-N -1 1 390.451 1.069 20 0 GDADMM CC1(C)C[C@@H]1C(=O)NCc1ccc2c(c1)CN(c1nccnc1-c1nnn[n-]1)C2 ZINC001571299515 946253903 /nfs/dbraw/zinc/25/39/03/946253903.db2.gz SWNQJHKXAHGOJI-OAHLLOKOSA-N -1 1 390.451 1.839 20 0 GDADMM CC1(C)C[C@@H]1C(=O)NCc1ccc2c(c1)CN(c1nccnc1-c1nn[n-]n1)C2 ZINC001571299515 946253914 /nfs/dbraw/zinc/25/39/14/946253914.db2.gz SWNQJHKXAHGOJI-OAHLLOKOSA-N -1 1 390.451 1.839 20 0 GDADMM Cc1cccnc1C(=O)N[C@@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571300320 946280954 /nfs/dbraw/zinc/28/09/54/946280954.db2.gz ZOKYVAIEZPSKSH-SECBINFHSA-N -1 1 390.860 1.689 20 0 GDADMM Cc1cccnc1C(=O)N[C@@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571300320 946280965 /nfs/dbraw/zinc/28/09/65/946280965.db2.gz ZOKYVAIEZPSKSH-SECBINFHSA-N -1 1 390.860 1.689 20 0 GDADMM Cc1ccc(C(=O)N[C@]23CCC[C@H]2N(c2cnc(-c4nnn[n-]4)cn2)CC3)cn1 ZINC001571302527 946306153 /nfs/dbraw/zinc/30/61/53/946306153.db2.gz AEQZOFVNRFMODT-BEFAXECRSA-N -1 1 391.439 1.292 20 0 GDADMM Cc1ccc(C(=O)N[C@]23CCC[C@H]2N(c2cnc(-c4nn[n-]n4)cn2)CC3)cn1 ZINC001571302527 946306164 /nfs/dbraw/zinc/30/61/64/946306164.db2.gz AEQZOFVNRFMODT-BEFAXECRSA-N -1 1 391.439 1.292 20 0 GDADMM O=C(NC[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)[C@H]1CCc2cccnc21 ZINC001571302847 946315770 /nfs/dbraw/zinc/31/57/70/946315770.db2.gz HOBNFRKSGAXYST-UBHSHLNASA-N -1 1 391.439 1.088 20 0 GDADMM O=C(NC[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)[C@H]1CCc2cccnc21 ZINC001571302847 946315782 /nfs/dbraw/zinc/31/57/82/946315782.db2.gz HOBNFRKSGAXYST-UBHSHLNASA-N -1 1 391.439 1.088 20 0 GDADMM Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001571302799 946316553 /nfs/dbraw/zinc/31/65/53/946316553.db2.gz CQPJUASETMEKPM-KRWDZBQOSA-N -1 1 391.435 1.378 20 0 GDADMM Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001571302799 946316565 /nfs/dbraw/zinc/31/65/65/946316565.db2.gz CQPJUASETMEKPM-KRWDZBQOSA-N -1 1 391.435 1.378 20 0 GDADMM Cc1cncc(C(=O)N2CC[C@H]3[C@H](CCN3c3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571303246 946329718 /nfs/dbraw/zinc/32/97/18/946329718.db2.gz MMWFEXVLVQPTSW-HIFRSBDPSA-N -1 1 391.439 1.101 20 0 GDADMM Cc1cncc(C(=O)N2CC[C@H]3[C@H](CCN3c3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571303246 946329729 /nfs/dbraw/zinc/32/97/29/946329729.db2.gz MMWFEXVLVQPTSW-HIFRSBDPSA-N -1 1 391.439 1.101 20 0 GDADMM Cc1ccc(C(=O)NC2CC3(C2)CC(Nc2nccnc2-c2nnn[n-]2)C3)cn1 ZINC001571303451 946337297 /nfs/dbraw/zinc/33/72/97/946337297.db2.gz RBPBYRZPOIAMJB-UHFFFAOYSA-N -1 1 391.439 1.513 20 0 GDADMM Cc1ccc(C(=O)NC2CC3(C2)CC(Nc2nccnc2-c2nn[n-]n2)C3)cn1 ZINC001571303451 946337307 /nfs/dbraw/zinc/33/73/07/946337307.db2.gz RBPBYRZPOIAMJB-UHFFFAOYSA-N -1 1 391.439 1.513 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)n1 ZINC001571303483 946337327 /nfs/dbraw/zinc/33/73/27/946337327.db2.gz LYOAOEVQKQBHBX-PBKGOJFUSA-N -1 1 391.439 1.040 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]32)n1 ZINC001571303483 946337333 /nfs/dbraw/zinc/33/73/33/946337333.db2.gz LYOAOEVQKQBHBX-PBKGOJFUSA-N -1 1 391.439 1.040 20 0 GDADMM O=C(c1ccc(C2CC2)cn1)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571303743 946347010 /nfs/dbraw/zinc/34/70/10/946347010.db2.gz WZGWHNVIIISZBA-AWEZNQCLSA-N -1 1 391.439 1.646 20 0 GDADMM O=C(c1ccc(C2CC2)cn1)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571303743 946347024 /nfs/dbraw/zinc/34/70/24/946347024.db2.gz WZGWHNVIIISZBA-AWEZNQCLSA-N -1 1 391.439 1.646 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1)c1cccnc1 ZINC001571303956 946353133 /nfs/dbraw/zinc/35/31/33/946353133.db2.gz TYSDMKSKXBUSMS-YOENINGUSA-N -1 1 391.439 1.081 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1)c1cccnc1 ZINC001571303956 946353141 /nfs/dbraw/zinc/35/31/41/946353141.db2.gz TYSDMKSKXBUSMS-YOENINGUSA-N -1 1 391.439 1.081 20 0 GDADMM O=C(NC[C@H]1C[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1)c1cnccn1 ZINC001571305829 946375530 /nfs/dbraw/zinc/37/55/30/946375530.db2.gz LDDZUBXEKGPIGE-ZKCHVHJHSA-N -1 1 391.848 1.387 20 0 GDADMM O=C(NC[C@H]1C[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1)c1cnccn1 ZINC001571305829 946375542 /nfs/dbraw/zinc/37/55/42/946375542.db2.gz LDDZUBXEKGPIGE-ZKCHVHJHSA-N -1 1 391.848 1.387 20 0 GDADMM Cc1cnc(C(=O)N2CCN(c3nc(-c4nn[n-]n4)c(Cl)s3)CC2)cn1 ZINC001571306249 946394091 /nfs/dbraw/zinc/39/40/91/946394091.db2.gz RBXGLXHGOKVQQY-UHFFFAOYSA-N -1 1 391.848 1.037 20 0 GDADMM Cc1nsc(N2C[C@@H](NC(=O)[C@H]3CCCC3(C)C)[C@@H](O)C2)c1-c1nn[n-]n1 ZINC001571306520 946401714 /nfs/dbraw/zinc/40/17/14/946401714.db2.gz WPRXFBXTSNYADO-UTUOFQBUSA-N -1 1 391.501 1.124 20 0 GDADMM C[C@@](CO)(NC(=O)c1coc(-c2nnn[n-]2)c1)c1cccc(Br)c1 ZINC001571307241 946420963 /nfs/dbraw/zinc/42/09/63/946420963.db2.gz ANFJHVYAZMDMIX-HNNXBMFYSA-N -1 1 392.213 1.860 20 0 GDADMM C[C@@](CO)(NC(=O)c1coc(-c2nn[n-]n2)c1)c1cccc(Br)c1 ZINC001571307241 946420968 /nfs/dbraw/zinc/42/09/68/946420968.db2.gz ANFJHVYAZMDMIX-HNNXBMFYSA-N -1 1 392.213 1.860 20 0 GDADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCCN(C(=O)C2(C)CC(F)(F)C2)C1 ZINC001571307279 946423750 /nfs/dbraw/zinc/42/37/50/946423750.db2.gz CDIGARSACLFHJY-LLVKDONJSA-N -1 1 392.414 1.519 20 0 GDADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCCN(C(=O)C2(C)CC(F)(F)C2)C1 ZINC001571307279 946423758 /nfs/dbraw/zinc/42/37/58/946423758.db2.gz CDIGARSACLFHJY-LLVKDONJSA-N -1 1 392.414 1.519 20 0 GDADMM O=C(C[C@@H]1CCC(F)(F)C1)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571310096 946462027 /nfs/dbraw/zinc/46/20/27/946462027.db2.gz UZNIAZBXNXFQOS-NWDGAFQWSA-N -1 1 392.414 1.885 20 0 GDADMM O=C(C[C@@H]1CCC(F)(F)C1)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571310096 946462035 /nfs/dbraw/zinc/46/20/35/946462035.db2.gz UZNIAZBXNXFQOS-NWDGAFQWSA-N -1 1 392.414 1.885 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C)c1ccccc1 ZINC001571312681 946498627 /nfs/dbraw/zinc/49/86/27/946498627.db2.gz AIMVMUSTQXVLCF-CZUORRHYSA-N -1 1 392.467 1.791 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C)c1ccccc1 ZINC001571312681 946498634 /nfs/dbraw/zinc/49/86/34/946498634.db2.gz AIMVMUSTQXVLCF-CZUORRHYSA-N -1 1 392.467 1.791 20 0 GDADMM O=C(c1ccccc1O)N1CC[C@@H]2[C@H](CCN2c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571312790 946503345 /nfs/dbraw/zinc/50/33/45/946503345.db2.gz KGXGMOPRBHUYCB-IUODEOHRSA-N -1 1 392.423 1.103 20 0 GDADMM O=C(c1ccccc1O)N1CC[C@@H]2[C@H](CCN2c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571312790 946503356 /nfs/dbraw/zinc/50/33/56/946503356.db2.gz KGXGMOPRBHUYCB-IUODEOHRSA-N -1 1 392.423 1.103 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NCC[C@H]2CCN(C(=O)Cc3ccccc3)C2)n1 ZINC001571315004 946547625 /nfs/dbraw/zinc/54/76/25/946547625.db2.gz GHFYISDXOKOAJJ-INIZCTEOSA-N -1 1 392.467 1.858 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NCC[C@H]2CCN(C(=O)Cc3ccccc3)C2)n1 ZINC001571315004 946547633 /nfs/dbraw/zinc/54/76/33/946547633.db2.gz GHFYISDXOKOAJJ-INIZCTEOSA-N -1 1 392.467 1.858 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@@H]([C@H](C)Nc3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001571315399 946552764 /nfs/dbraw/zinc/55/27/64/946552764.db2.gz JMTQFGICUIZYKD-GOEBONIOSA-N -1 1 392.467 1.857 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@@H]([C@H](C)Nc3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001571315399 946552778 /nfs/dbraw/zinc/55/27/78/946552778.db2.gz JMTQFGICUIZYKD-GOEBONIOSA-N -1 1 392.467 1.857 20 0 GDADMM Cc1cccc([C@H](C)C(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C)c1 ZINC001571315426 946553273 /nfs/dbraw/zinc/55/32/73/946553273.db2.gz KHSHLESFYITCEW-JKIFEVAISA-N -1 1 392.467 1.710 20 0 GDADMM Cc1cccc([C@H](C)C(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C)c1 ZINC001571315426 946553284 /nfs/dbraw/zinc/55/32/84/946553284.db2.gz KHSHLESFYITCEW-JKIFEVAISA-N -1 1 392.467 1.710 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@H](CN(C)c3cnc(-c4nnn[n-]4)cn3)C2)c1C ZINC001571315460 946553416 /nfs/dbraw/zinc/55/34/16/946553416.db2.gz LMCPUMDSCJYRAT-OAHLLOKOSA-N -1 1 392.467 1.872 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@H](CN(C)c3cnc(-c4nn[n-]n4)cn3)C2)c1C ZINC001571315460 946553423 /nfs/dbraw/zinc/55/34/23/946553423.db2.gz LMCPUMDSCJYRAT-OAHLLOKOSA-N -1 1 392.467 1.872 20 0 GDADMM Cc1ccc(C)c(CC(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571315637 946555173 /nfs/dbraw/zinc/55/51/73/946555173.db2.gz MSJGRBAGQHJXSZ-MRXNPFEDSA-N -1 1 392.467 1.601 20 0 GDADMM Cc1ccc(C)c(CC(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571315637 946555181 /nfs/dbraw/zinc/55/51/81/946555181.db2.gz MSJGRBAGQHJXSZ-MRXNPFEDSA-N -1 1 392.467 1.601 20 0 GDADMM Cc1ccc(CC(=O)N2C[C@@H](C)[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)cc1C ZINC001571316061 946563166 /nfs/dbraw/zinc/56/31/66/946563166.db2.gz SUMYFUSJPOIKKP-ZBFHGGJFSA-N -1 1 392.467 1.775 20 0 GDADMM Cc1ccc(CC(=O)N2C[C@@H](C)[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)cc1C ZINC001571316061 946563174 /nfs/dbraw/zinc/56/31/74/946563174.db2.gz SUMYFUSJPOIKKP-ZBFHGGJFSA-N -1 1 392.467 1.775 20 0 GDADMM Cc1cccc([C@@H](C)C(=O)N(C)[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571316121 946567213 /nfs/dbraw/zinc/56/72/13/946567213.db2.gz UPLGGLPZZUPUFL-GDBMZVCRSA-N -1 1 392.467 1.806 20 0 GDADMM Cc1cccc([C@@H](C)C(=O)N(C)[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571316121 946567220 /nfs/dbraw/zinc/56/72/20/946567220.db2.gz UPLGGLPZZUPUFL-GDBMZVCRSA-N -1 1 392.467 1.806 20 0 GDADMM Cc1ccccc1[C@@H](C)C(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571316488 946579913 /nfs/dbraw/zinc/57/99/13/946579913.db2.gz DLHBKVATBPEZMZ-CABCVRRESA-N -1 1 392.467 1.806 20 0 GDADMM O=C(Cc1ccccc1)N[C@@H]1CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571316571 946582694 /nfs/dbraw/zinc/58/26/94/946582694.db2.gz GULZPJUJCMDOJH-JKSUJKDBSA-N -1 1 392.467 1.986 20 0 GDADMM O=C(Cc1ccccc1)N[C@@H]1CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571316571 946582702 /nfs/dbraw/zinc/58/27/02/946582702.db2.gz GULZPJUJCMDOJH-JKSUJKDBSA-N -1 1 392.467 1.986 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)c2cc[nH]c2)C1)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001571317387 946609189 /nfs/dbraw/zinc/60/91/89/946609189.db2.gz FUTUDKSANYBJMO-VIFPVBQESA-N -1 1 392.876 1.903 20 0 GDADMM O=C(NC[C@@H]1[C@H]2CN(c3nc(-c4nn[n-]n4)c(Cl)s3)C[C@H]21)c1cnco1 ZINC001571317562 946614055 /nfs/dbraw/zinc/61/40/55/946614055.db2.gz MSUAJPFIMLEPDQ-WHUPJOBBSA-N -1 1 392.832 1.077 20 0 GDADMM CC(=O)NC[C@@H]1CC2(CO1)CCN(c1snc(C)c1-c1nn[n-]n1)CC2 ZINC001573530536 946699740 /nfs/dbraw/zinc/69/97/40/946699740.db2.gz UVHZOTPNJPEIJT-LBPRGKRZSA-N -1 1 377.474 1.143 20 0 GDADMM C[C@@H](NC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1)C1CCC1 ZINC000824489008 946735947 /nfs/dbraw/zinc/73/59/47/946735947.db2.gz IBCCIESLIJMRIJ-LLVKDONJSA-N -1 1 386.460 1.752 20 0 GDADMM CC(=O)Nc1cccc([C@@H](C)NC(=O)NCc2nc(-c3nnn[n-]3)cs2)c1 ZINC001573547043 946825970 /nfs/dbraw/zinc/82/59/70/946825970.db2.gz VAIDWQCELNCWOW-SECBINFHSA-N -1 1 386.441 1.842 20 0 GDADMM CC(=O)Nc1cccc([C@@H](C)NC(=O)NCc2nc(-c3nn[n-]n3)cs2)c1 ZINC001573547043 946825984 /nfs/dbraw/zinc/82/59/84/946825984.db2.gz VAIDWQCELNCWOW-SECBINFHSA-N -1 1 386.441 1.842 20 0 GDADMM CC(=O)c1cccc(S(=O)(=O)NCc2cc(F)c(-c3nnn[n-]3)c(F)c2)c1 ZINC001573555149 946903686 /nfs/dbraw/zinc/90/36/86/946903686.db2.gz CWYXUWLYVZKEPW-UHFFFAOYSA-N -1 1 393.375 1.826 20 0 GDADMM CC(=O)c1cccc(S(=O)(=O)NCc2cc(F)c(-c3nn[n-]n3)c(F)c2)c1 ZINC001573555149 946903695 /nfs/dbraw/zinc/90/36/95/946903695.db2.gz CWYXUWLYVZKEPW-UHFFFAOYSA-N -1 1 393.375 1.826 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C(C)(C)c1cccnc1 ZINC000824999385 947032772 /nfs/dbraw/zinc/03/27/72/947032772.db2.gz GMUVZVHAMWIJBY-CYBMUJFWSA-N -1 1 393.455 1.067 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C(C)(C)c1cccnc1 ZINC000824999385 947032786 /nfs/dbraw/zinc/03/27/86/947032786.db2.gz GMUVZVHAMWIJBY-CYBMUJFWSA-N -1 1 393.455 1.067 20 0 GDADMM CCN(CC)Cc1csc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)n1 ZINC000825416472 947183371 /nfs/dbraw/zinc/18/33/71/947183371.db2.gz JAMVZVAUVDUGLR-UHFFFAOYSA-N -1 1 376.446 1.643 20 0 GDADMM CCOC(=O)[C@@H](CNC(=O)Cc1noc(C)c1-c1nnn[n-]1)Cc1ccccc1 ZINC000825494630 947204529 /nfs/dbraw/zinc/20/45/29/947204529.db2.gz ZILLNPWIEROYHM-CQSZACIVSA-N -1 1 398.423 1.244 20 0 GDADMM CCOC(=O)[C@@H](CNC(=O)Cc1noc(C)c1-c1nn[n-]n1)Cc1ccccc1 ZINC000825494630 947204541 /nfs/dbraw/zinc/20/45/41/947204541.db2.gz ZILLNPWIEROYHM-CQSZACIVSA-N -1 1 398.423 1.244 20 0 GDADMM CCOC(=O)[C@@H](CNC(=O)Cc1noc(C)c1-c1nnn[n-]1)c1ccccc1 ZINC000825493911 947204869 /nfs/dbraw/zinc/20/48/69/947204869.db2.gz QJQFORLCLDGBAV-ZDUSSCGKSA-N -1 1 384.396 1.169 20 0 GDADMM CCOC(=O)[C@@H](CNC(=O)Cc1noc(C)c1-c1nn[n-]n1)c1ccccc1 ZINC000825493911 947204881 /nfs/dbraw/zinc/20/48/81/947204881.db2.gz QJQFORLCLDGBAV-ZDUSSCGKSA-N -1 1 384.396 1.169 20 0 GDADMM CCOC(=O)CCC1CCN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)CC1 ZINC000825507822 947207821 /nfs/dbraw/zinc/20/78/21/947207821.db2.gz SYUMFLJWMGYSBZ-UHFFFAOYSA-N -1 1 376.417 1.288 20 0 GDADMM CCOC(=O)CCC1CCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)CC1 ZINC000825507822 947207829 /nfs/dbraw/zinc/20/78/29/947207829.db2.gz SYUMFLJWMGYSBZ-UHFFFAOYSA-N -1 1 376.417 1.288 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)Nc2cccc(Cl)c2C)c1-c1nn[n-]n1 ZINC000825569855 947227442 /nfs/dbraw/zinc/22/74/42/947227442.db2.gz BNXZSDPGZOVHRS-UHFFFAOYSA-N -1 1 389.803 1.840 20 0 GDADMM CCOC(=O)c1cnn(Cc2coc(-c3ccc(OC)cc3)n2)c1-c1nn[n-]n1 ZINC000825571358 947237644 /nfs/dbraw/zinc/23/76/44/947237644.db2.gz ZQTQAZUEDQURAT-UHFFFAOYSA-N -1 1 395.379 1.952 20 0 GDADMM C=C/C(C)=C/CC(=O)N[C@H](C)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573315267 947248083 /nfs/dbraw/zinc/24/80/83/947248083.db2.gz BYCREBZBOKUVBW-YACGDJQHSA-N -1 1 382.472 1.900 20 0 GDADMM C=C/C(C)=C/CC(=O)N[C@H](C)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573315267 947248094 /nfs/dbraw/zinc/24/80/94/947248094.db2.gz BYCREBZBOKUVBW-YACGDJQHSA-N -1 1 382.472 1.900 20 0 GDADMM C[C@@H](C(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1)c1ccccc1F ZINC001573586193 947279867 /nfs/dbraw/zinc/27/98/67/947279867.db2.gz LNJSHKBRGMZPHT-NWDGAFQWSA-N -1 1 384.419 1.280 20 0 GDADMM C=C/C(C)=C\CC(=O)N1CCC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001573316990 947289574 /nfs/dbraw/zinc/28/95/74/947289574.db2.gz KIMAIHNMYWLECH-TUJBUDNFSA-N -1 1 380.456 1.606 20 0 GDADMM C=C/C(C)=C\CC(=O)N1CCC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001573316990 947289586 /nfs/dbraw/zinc/28/95/86/947289586.db2.gz KIMAIHNMYWLECH-TUJBUDNFSA-N -1 1 380.456 1.606 20 0 GDADMM C=C/C(C)=C/CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C ZINC001573317213 947293857 /nfs/dbraw/zinc/29/38/57/947293857.db2.gz MQVUVKNPOBEJTF-YGLIYXGISA-N -1 1 382.472 1.900 20 0 GDADMM C=C/C(C)=C\CC(=O)NC[C@@H]1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573317801 947300395 /nfs/dbraw/zinc/30/03/95/947300395.db2.gz PQNCWVKUFOGSOR-QLBUUCPGSA-N -1 1 382.472 1.820 20 0 GDADMM C=C/C(C)=C\CC(=O)NC[C@@H]1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573317801 947300408 /nfs/dbraw/zinc/30/04/08/947300408.db2.gz PQNCWVKUFOGSOR-QLBUUCPGSA-N -1 1 382.472 1.820 20 0 GDADMM C=C/C(C)=C/CC(=O)NCC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001573319180 947325821 /nfs/dbraw/zinc/32/58/21/947325821.db2.gz VCGCVGGYSXCKBV-HMBIXPHWSA-N -1 1 382.472 1.758 20 0 GDADMM C[C@@H](C(=O)N(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)C(F)(F)F ZINC001573592153 947330496 /nfs/dbraw/zinc/33/04/96/947330496.db2.gz ANUMUGUOGKABPH-KWQFWETISA-N -1 1 384.366 1.504 20 0 GDADMM C[C@@H](C(=O)N(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)C(F)(F)F ZINC001573592153 947330510 /nfs/dbraw/zinc/33/05/10/947330510.db2.gz ANUMUGUOGKABPH-KWQFWETISA-N -1 1 384.366 1.504 20 0 GDADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1ccc(-c2nnn[n-]2)nn1)n1cccn1 ZINC001573593172 947365575 /nfs/dbraw/zinc/36/55/75/947365575.db2.gz QXZSXIQVWPUVRM-LBPRGKRZSA-N -1 1 384.448 1.011 20 0 GDADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1ccc(-c2nn[n-]n2)nn1)n1cccn1 ZINC001573593172 947365588 /nfs/dbraw/zinc/36/55/88/947365588.db2.gz QXZSXIQVWPUVRM-LBPRGKRZSA-N -1 1 384.448 1.011 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccc(Cl)c(F)c1 ZINC000825933947 947375169 /nfs/dbraw/zinc/37/51/69/947375169.db2.gz JMEHLNGUMUHPIT-UHFFFAOYSA-N -1 1 378.799 1.669 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccc(Cl)c(F)c1 ZINC000825933947 947375182 /nfs/dbraw/zinc/37/51/82/947375182.db2.gz JMEHLNGUMUHPIT-UHFFFAOYSA-N -1 1 378.799 1.669 20 0 GDADMM C[C@@H](C(=O)N(C)CCN(C)c1cncc(-c2nnn[n-]2)n1)c1cccc(F)c1 ZINC001573603563 947492854 /nfs/dbraw/zinc/49/28/54/947492854.db2.gz NJEAYHDMOKZIIM-GFCCVEGCSA-N -1 1 384.419 1.494 20 0 GDADMM C[C@@H](C(=O)N(C)CCN(C)c1cncc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001573603563 947492859 /nfs/dbraw/zinc/49/28/59/947492859.db2.gz NJEAYHDMOKZIIM-GFCCVEGCSA-N -1 1 384.419 1.494 20 0 GDADMM C[C@H]([C@H](C)C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1)C(C)(C)C ZINC001573604573 947512663 /nfs/dbraw/zinc/51/26/63/947512663.db2.gz PFNZESMGZMSNTQ-QWHCGFSZSA-N -1 1 390.492 1.208 20 0 GDADMM C[C@H]([C@H](C)C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1)C(C)(C)C ZINC001573604573 947512673 /nfs/dbraw/zinc/51/26/73/947512673.db2.gz PFNZESMGZMSNTQ-QWHCGFSZSA-N -1 1 390.492 1.208 20 0 GDADMM C[C@@H](C(=O)N(CCO)CCNc1snc(Cl)c1-c1nnn[n-]1)C1CC1 ZINC001573606995 947537211 /nfs/dbraw/zinc/53/72/11/947537211.db2.gz CCFSZVTYBFKEHA-MRVPVSSYSA-N -1 1 385.881 1.256 20 0 GDADMM C[C@@H](C(=O)N(CCO)CCNc1snc(Cl)c1-c1nn[n-]n1)C1CC1 ZINC001573606995 947537221 /nfs/dbraw/zinc/53/72/21/947537221.db2.gz CCFSZVTYBFKEHA-MRVPVSSYSA-N -1 1 385.881 1.256 20 0 GDADMM C[C@H](C(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C(C)(C)C1)n1cccc1 ZINC001573613790 947570516 /nfs/dbraw/zinc/57/05/16/947570516.db2.gz IWBUHLOISNHJPO-OCCSQVGLSA-N -1 1 381.444 1.368 20 0 GDADMM C[C@H](C(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C(C)(C)C1)n1cccc1 ZINC001573613790 947570528 /nfs/dbraw/zinc/57/05/28/947570528.db2.gz IWBUHLOISNHJPO-OCCSQVGLSA-N -1 1 381.444 1.368 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C(C)(C)C1)n1cccc1 ZINC001573613791 947570862 /nfs/dbraw/zinc/57/08/62/947570862.db2.gz IWBUHLOISNHJPO-TZMCWYRMSA-N -1 1 381.444 1.368 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C(C)(C)C1)n1cccc1 ZINC001573613791 947570870 /nfs/dbraw/zinc/57/08/70/947570870.db2.gz IWBUHLOISNHJPO-TZMCWYRMSA-N -1 1 381.444 1.368 20 0 GDADMM C[C@@H](C(=O)N1C[C@H](Nc2nccnc2-c2nnn[n-]2)C(C)(C)C1)n1cccc1 ZINC001573613801 947571608 /nfs/dbraw/zinc/57/16/08/947571608.db2.gz JCKJCIQOKJNZBG-STQMWFEESA-N -1 1 381.444 1.368 20 0 GDADMM C[C@@H](C(=O)N1C[C@H](Nc2nccnc2-c2nn[n-]n2)C(C)(C)C1)n1cccc1 ZINC001573613801 947571617 /nfs/dbraw/zinc/57/16/17/947571617.db2.gz JCKJCIQOKJNZBG-STQMWFEESA-N -1 1 381.444 1.368 20 0 GDADMM C[C@H](C(=O)N1CCC(C)(Nc2nccnc2-c2nnn[n-]2)CC1)C(F)(F)F ZINC001573613885 947573720 /nfs/dbraw/zinc/57/37/20/947573720.db2.gz BFRVCOZEYQRCSG-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](C(=O)N1CCC(C)(Nc2nccnc2-c2nn[n-]n2)CC1)C(F)(F)F ZINC001573613885 947573727 /nfs/dbraw/zinc/57/37/27/947573727.db2.gz BFRVCOZEYQRCSG-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM C=CS(=O)(=O)CCC(=O)Nc1cccc(OC(F)(F)F)c1-c1nn[n-]n1 ZINC001573350243 947591544 /nfs/dbraw/zinc/59/15/44/947591544.db2.gz ALUPXMAVEQSCPG-UHFFFAOYSA-N -1 1 391.331 1.652 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@@H](CN(C)c3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573350483 947599361 /nfs/dbraw/zinc/59/93/61/947599361.db2.gz CHWWQZRUKDGLAX-HNNXBMFYSA-N -1 1 390.451 1.898 20 0 GDADMM Cc1csc(C(=O)[O-])c1S(=O)(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000327652723 971414983 /nfs/dbraw/zinc/41/49/83/971414983.db2.gz WQKWJIDGTWUOFZ-CYBMUJFWSA-N -1 1 389.543 1.305 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@H]([C@H](C)Nc3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573352126 947624887 /nfs/dbraw/zinc/62/48/87/947624887.db2.gz VXJLMDDTNGZZJT-BBRMVZONSA-N -1 1 390.451 1.684 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CCNc2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001573616780 947627649 /nfs/dbraw/zinc/62/76/49/947627649.db2.gz NPELQFCMJQNNMU-ZJUUUORDSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CCNc2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001573616780 947627654 /nfs/dbraw/zinc/62/76/54/947627654.db2.gz NPELQFCMJQNNMU-ZJUUUORDSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@@H](C(=O)N1CCC(CNc2nccnc2-c2nnn[n-]2)CC1)n1cccc1 ZINC001573617441 947635784 /nfs/dbraw/zinc/63/57/84/947635784.db2.gz LQXPPDCSWAARFO-ZDUSSCGKSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@@H](C(=O)N1CCC(CNc2nccnc2-c2nn[n-]n2)CC1)n1cccc1 ZINC001573617441 947635792 /nfs/dbraw/zinc/63/57/92/947635792.db2.gz LQXPPDCSWAARFO-ZDUSSCGKSA-N -1 1 381.444 1.370 20 0 GDADMM C=Cc1ccc(C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001573355359 947640384 /nfs/dbraw/zinc/64/03/84/947640384.db2.gz OFVNUCUKFMNYQL-HNNXBMFYSA-N -1 1 376.424 1.699 20 0 GDADMM C=Cc1ccc(C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573355359 947640393 /nfs/dbraw/zinc/64/03/93/947640393.db2.gz OFVNUCUKFMNYQL-HNNXBMFYSA-N -1 1 376.424 1.699 20 0 GDADMM C=Cc1ccc(C(=O)N2CCCN(c3nccnc3-c3nnn[n-]3)CC2)cc1 ZINC001573356225 947648554 /nfs/dbraw/zinc/64/85/54/947648554.db2.gz VPHCUONMIGBPJP-UHFFFAOYSA-N -1 1 376.424 1.652 20 0 GDADMM C=Cc1ccc(C(=O)N2CCCN(c3nccnc3-c3nn[n-]n3)CC2)cc1 ZINC001573356225 947648565 /nfs/dbraw/zinc/64/85/65/947648565.db2.gz VPHCUONMIGBPJP-UHFFFAOYSA-N -1 1 376.424 1.652 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CC2(C)C)cc1 ZINC001573356201 947648619 /nfs/dbraw/zinc/64/86/19/947648619.db2.gz VKSIQTRKMRIGBQ-MRXNPFEDSA-N -1 1 390.451 1.945 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CC2(C)C)cc1 ZINC001573356201 947648626 /nfs/dbraw/zinc/64/86/26/947648626.db2.gz VKSIQTRKMRIGBQ-MRXNPFEDSA-N -1 1 390.451 1.945 20 0 GDADMM COc1ccccc1N1CC[C@H](CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)C1 ZINC000826220569 947654909 /nfs/dbraw/zinc/65/49/09/947654909.db2.gz RUIBBVGYNKJLES-CYBMUJFWSA-N -1 1 397.439 1.357 20 0 GDADMM COc1ccccc1N1CC[C@H](CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)C1 ZINC000826220569 947654916 /nfs/dbraw/zinc/65/49/16/947654916.db2.gz RUIBBVGYNKJLES-CYBMUJFWSA-N -1 1 397.439 1.357 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001573620126 947677163 /nfs/dbraw/zinc/67/71/63/947677163.db2.gz XVXNQELJGIADBU-VHSXEESVSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001573620126 947677168 /nfs/dbraw/zinc/67/71/68/947677168.db2.gz XVXNQELJGIADBU-VHSXEESVSA-N -1 1 384.366 1.506 20 0 GDADMM C/C(=C\C(=O)N1CCC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)C1CC1 ZINC001573361869 947698306 /nfs/dbraw/zinc/69/83/06/947698306.db2.gz GBOKQAGEQCWGIE-FQDRTLPPSA-N -1 1 380.456 1.440 20 0 GDADMM C/C(=C\C(=O)N1CCC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)C1CC1 ZINC001573361869 947698317 /nfs/dbraw/zinc/69/83/17/947698317.db2.gz GBOKQAGEQCWGIE-FQDRTLPPSA-N -1 1 380.456 1.440 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccccc1F ZINC001573625619 947700734 /nfs/dbraw/zinc/70/07/34/947700734.db2.gz PRMPCGRDZMJJOG-VXGBXAGGSA-N -1 1 382.403 1.612 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccccc1F ZINC001573625619 947700746 /nfs/dbraw/zinc/70/07/46/947700746.db2.gz PRMPCGRDZMJJOG-VXGBXAGGSA-N -1 1 382.403 1.612 20 0 GDADMM C[C@H](C(=O)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1)c1ccsc1 ZINC001573626564 947711428 /nfs/dbraw/zinc/71/14/28/947711428.db2.gz VKSTZHCRRMAZSN-NSHDSACASA-N -1 1 384.469 1.925 20 0 GDADMM C[C@H](C(=O)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1)c1ccsc1 ZINC001573626564 947711434 /nfs/dbraw/zinc/71/14/34/947711434.db2.gz VKSTZHCRRMAZSN-NSHDSACASA-N -1 1 384.469 1.925 20 0 GDADMM C/C(=C\C(=O)N1CCCC[C@@H]1[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573363992 947716453 /nfs/dbraw/zinc/71/64/53/947716453.db2.gz OTGCVLPFPZXTKN-SJKUJVLLSA-N -1 1 382.472 1.616 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC001573627446 947724238 /nfs/dbraw/zinc/72/42/38/947724238.db2.gz BNIOFVKLTOFXFS-QWHCGFSZSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC001573627446 947724250 /nfs/dbraw/zinc/72/42/50/947724250.db2.gz BNIOFVKLTOFXFS-QWHCGFSZSA-N -1 1 382.428 1.481 20 0 GDADMM CC(=O)[C@@H]([N-]S(=O)(=O)c1cc(-c2nn[nH]n2)ccc1C)c1ccccc1F ZINC001573364946 947727991 /nfs/dbraw/zinc/72/79/91/947727991.db2.gz KIZSRXLTQYNAMH-MRXNPFEDSA-N -1 1 389.412 1.923 20 0 GDADMM C/C(=C/C(=O)N1CC[C@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1)C1CC1 ZINC001573365580 947732524 /nfs/dbraw/zinc/73/25/24/947732524.db2.gz SZVUWPVXPTXLPZ-XGCMIMOYSA-N -1 1 380.456 1.442 20 0 GDADMM C/C(=C/C(=O)N1CC[C@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1)C1CC1 ZINC001573365580 947732534 /nfs/dbraw/zinc/73/25/34/947732534.db2.gz SZVUWPVXPTXLPZ-XGCMIMOYSA-N -1 1 380.456 1.442 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1)c1ccco1 ZINC001573628071 947744975 /nfs/dbraw/zinc/74/49/75/947744975.db2.gz IAPILKLAUHPLLH-OLZOCXBDSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1)c1ccco1 ZINC001573628071 947744982 /nfs/dbraw/zinc/74/49/82/947744982.db2.gz IAPILKLAUHPLLH-OLZOCXBDSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@H](C(=O)N1CCC[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1)C1CC1 ZINC001573628480 947757832 /nfs/dbraw/zinc/75/78/32/947757832.db2.gz LPKNBKHZQISADT-ORAYPTAESA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H](C(=O)N1CCC[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1)C1CC1 ZINC001573628480 947757841 /nfs/dbraw/zinc/75/78/41/947757841.db2.gz LPKNBKHZQISADT-ORAYPTAESA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]2[C@H]1CCN2c1nccnc1-c1nnn[n-]1)C(C)(C)C ZINC001573629178 947773744 /nfs/dbraw/zinc/77/37/44/947773744.db2.gz RAPWYVRADRXKIU-MGPQQGTHSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]2[C@H]1CCN2c1nccnc1-c1nn[n-]n1)C(C)(C)C ZINC001573629178 947773752 /nfs/dbraw/zinc/77/37/52/947773752.db2.gz RAPWYVRADRXKIU-MGPQQGTHSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]2[C@@H]1CCN2c1cncc(-c2nnn[n-]2)n1)C(C)(F)F ZINC001573629213 947775396 /nfs/dbraw/zinc/77/53/96/947775396.db2.gz RVFJYZSENOBIKN-WXHSDQCUSA-N -1 1 392.414 1.518 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]2[C@@H]1CCN2c1cncc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001573629213 947775404 /nfs/dbraw/zinc/77/54/04/947775404.db2.gz RVFJYZSENOBIKN-WXHSDQCUSA-N -1 1 392.414 1.518 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@@H](C)[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573369922 947780166 /nfs/dbraw/zinc/78/01/66/947780166.db2.gz ZKQLXJCLAAFZPU-TZMCWYRMSA-N -1 1 386.460 1.313 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@@H](C)[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573369922 947780170 /nfs/dbraw/zinc/78/01/70/947780170.db2.gz ZKQLXJCLAAFZPU-TZMCWYRMSA-N -1 1 386.460 1.313 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@@H]1CN(C)c1nccnc1-c1nnn[n-]1 ZINC001573372909 947785720 /nfs/dbraw/zinc/78/57/20/947785720.db2.gz FQYQGAJVJKLSRO-CQSZACIVSA-N -1 1 386.460 1.233 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@@H]1CN(C)c1nccnc1-c1nn[n-]n1 ZINC001573372909 947785725 /nfs/dbraw/zinc/78/57/25/947785725.db2.gz FQYQGAJVJKLSRO-CQSZACIVSA-N -1 1 386.460 1.233 20 0 GDADMM CC(=O)CCCC(=O)N[C@]12CCC[C@@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001573373567 947795544 /nfs/dbraw/zinc/79/55/44/947795544.db2.gz DPFIPYLZARTWSN-UGSOOPFHSA-N -1 1 384.444 1.034 20 0 GDADMM C[C@@H](C(=O)N1CC[C@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1)C(C)(C)C ZINC001573630773 947795878 /nfs/dbraw/zinc/79/58/78/947795878.db2.gz SCZPHNCXXKVBEP-DJJJIMSYSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](C(=O)N1CC[C@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1)C(C)(C)C ZINC001573630773 947795880 /nfs/dbraw/zinc/79/58/80/947795880.db2.gz SCZPHNCXXKVBEP-DJJJIMSYSA-N -1 1 384.488 1.768 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001573376672 947839923 /nfs/dbraw/zinc/83/99/23/947839923.db2.gz BCASYWMKDFOSAA-AWEZNQCLSA-N -1 1 386.460 1.233 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001573376672 947839927 /nfs/dbraw/zinc/83/99/27/947839927.db2.gz BCASYWMKDFOSAA-AWEZNQCLSA-N -1 1 386.460 1.233 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)C1CCC1 ZINC001573638865 947844589 /nfs/dbraw/zinc/84/45/89/947844589.db2.gz XKXJSWVOTNZLEA-AEGPPILISA-N -1 1 382.472 1.520 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)C1CCC1 ZINC001573638865 947844599 /nfs/dbraw/zinc/84/45/99/947844599.db2.gz XKXJSWVOTNZLEA-AEGPPILISA-N -1 1 382.472 1.520 20 0 GDADMM C[C@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1)c1ccccc1F ZINC001573639659 947846896 /nfs/dbraw/zinc/84/68/96/947846896.db2.gz AOEMNUUKUACSGE-LBPRGKRZSA-N -1 1 382.403 1.248 20 0 GDADMM C[C@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1)c1ccccc1F ZINC001573639659 947846902 /nfs/dbraw/zinc/84/69/02/947846902.db2.gz AOEMNUUKUACSGE-LBPRGKRZSA-N -1 1 382.403 1.248 20 0 GDADMM CC(=O)CCCC(=O)N1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001573377664 947849811 /nfs/dbraw/zinc/84/98/11/947849811.db2.gz PYZOMXJEVDZUAW-UHFFFAOYSA-N -1 1 383.865 1.385 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001573380912 947867276 /nfs/dbraw/zinc/86/72/76/947867276.db2.gz JTEPCSJTTLTPIT-OCCSQVGLSA-N -1 1 386.460 1.198 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001573380912 947867281 /nfs/dbraw/zinc/86/72/81/947867281.db2.gz JTEPCSJTTLTPIT-OCCSQVGLSA-N -1 1 386.460 1.198 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)C1CCCC1 ZINC001573646479 947876487 /nfs/dbraw/zinc/87/64/87/947876487.db2.gz OMHDDXXHODZUTL-IVMMDQJWSA-N -1 1 382.472 1.520 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)C1CCCC1 ZINC001573646479 947876496 /nfs/dbraw/zinc/87/64/96/947876496.db2.gz OMHDDXXHODZUTL-IVMMDQJWSA-N -1 1 382.472 1.520 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](CNc2cncc(-c3nnn[n-]3)n2)[C@H](C)C1)c1ccco1 ZINC001573647378 947892586 /nfs/dbraw/zinc/89/25/86/947892586.db2.gz JKNKNLOGHJJQOS-FRRDWIJNSA-N -1 1 382.428 1.560 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](CNc2cncc(-c3nn[n-]n3)n2)[C@H](C)C1)c1ccco1 ZINC001573647378 947892599 /nfs/dbraw/zinc/89/25/99/947892599.db2.gz JKNKNLOGHJJQOS-FRRDWIJNSA-N -1 1 382.428 1.560 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)[C@@H]1C ZINC001573384622 947906080 /nfs/dbraw/zinc/90/60/80/947906080.db2.gz ULROVAJIGRWBCO-ZJUUUORDSA-N -1 1 397.892 1.819 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1)C(C)(F)F ZINC001573651267 947919564 /nfs/dbraw/zinc/91/95/64/947919564.db2.gz KREDONGBKBKVAR-TUAOUCFPSA-N -1 1 392.414 1.233 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1)C(C)(F)F ZINC001573651267 947919571 /nfs/dbraw/zinc/91/95/71/947919571.db2.gz KREDONGBKBKVAR-TUAOUCFPSA-N -1 1 392.414 1.233 20 0 GDADMM C[C@@H](C(=O)N[C@](C)(CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)c1ccco1 ZINC001573652872 947948858 /nfs/dbraw/zinc/94/88/58/947948858.db2.gz HVTTXPCMLRKTIJ-ADLMAVQZSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](C(=O)N[C@](C)(CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)c1ccco1 ZINC001573652872 947948867 /nfs/dbraw/zinc/94/88/67/947948867.db2.gz HVTTXPCMLRKTIJ-ADLMAVQZSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CCCC1)C1CCC1 ZINC001573653279 947956319 /nfs/dbraw/zinc/95/63/19/947956319.db2.gz KIKLBEZAGZUBAJ-IUODEOHRSA-N -1 1 384.488 1.602 20 0 GDADMM Cc1nn(-c2ccccc2)c(CN2CCN(C(=O)C3CC3)CC2)c1-c1nn[n-]n1 ZINC000826331916 947965086 /nfs/dbraw/zinc/96/50/86/947965086.db2.gz CSXIVULOQBNWAD-UHFFFAOYSA-N -1 1 392.467 1.415 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1cccs1 ZINC001573654284 947965136 /nfs/dbraw/zinc/96/51/36/947965136.db2.gz QLTRYQOZMPGFDZ-PWSUYJOCSA-N -1 1 384.469 1.251 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)c1ccsc1 ZINC001573655411 947977099 /nfs/dbraw/zinc/97/70/99/947977099.db2.gz XGDOLQNNOPZYCS-MFKMUULPSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)c1ccsc1 ZINC001573655411 947977104 /nfs/dbraw/zinc/97/71/04/947977104.db2.gz XGDOLQNNOPZYCS-MFKMUULPSA-N -1 1 384.469 1.829 20 0 GDADMM Cc1onc(CC(=O)N(C)[C@H]2CCCN(c3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826342859 947983266 /nfs/dbraw/zinc/98/32/66/947983266.db2.gz CKZKVVXIBCITID-HNNXBMFYSA-N -1 1 381.440 1.833 20 0 GDADMM Cc1onc(CC(=O)N(C)[C@H]2CCCN(c3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826342859 947983270 /nfs/dbraw/zinc/98/32/70/947983270.db2.gz CKZKVVXIBCITID-HNNXBMFYSA-N -1 1 381.440 1.833 20 0 GDADMM C[C@@H](C(=O)NC1(CNc2ccc(-c3nnn[n-]3)nn2)CCCC1)[C@H]1CCCO1 ZINC001573660076 948017643 /nfs/dbraw/zinc/01/76/43/948017643.db2.gz XWYSZUXNNSXVIU-TZMCWYRMSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](C(=O)NC1(CNc2ccc(-c3nn[n-]n3)nn2)CCCC1)[C@H]1CCCO1 ZINC001573660076 948017652 /nfs/dbraw/zinc/01/76/52/948017652.db2.gz XWYSZUXNNSXVIU-TZMCWYRMSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2)C(C)(C)C ZINC001573661771 948021389 /nfs/dbraw/zinc/02/13/89/948021389.db2.gz AGCKMPALAIPXTQ-GXTWGEPZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2)C(C)(C)C ZINC001573661771 948021400 /nfs/dbraw/zinc/02/14/00/948021400.db2.gz AGCKMPALAIPXTQ-GXTWGEPZSA-N -1 1 384.488 1.814 20 0 GDADMM Cc1onc(CC(=O)N[C@H](C)COc2ccc(F)cc2F)c1-c1nnn[n-]1 ZINC000826345740 948028419 /nfs/dbraw/zinc/02/84/19/948028419.db2.gz SNDSXLQUTFVXQI-MRVPVSSYSA-N -1 1 378.339 1.568 20 0 GDADMM Cc1onc(CC(=O)N[C@H](C)COc2ccc(F)cc2F)c1-c1nn[n-]n1 ZINC000826345740 948028427 /nfs/dbraw/zinc/02/84/27/948028427.db2.gz SNDSXLQUTFVXQI-MRVPVSSYSA-N -1 1 378.339 1.568 20 0 GDADMM C[C@@H](C(=O)NC1(CNc2nccnc2-c2nnn[n-]2)CCCC1)[C@H]1CCCO1 ZINC001573662806 948030244 /nfs/dbraw/zinc/03/02/44/948030244.db2.gz GYYZXKHOBLYRDW-CHWSQXEVSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](C(=O)NC1(CNc2nccnc2-c2nn[n-]n2)CCCC1)[C@H]1CCCO1 ZINC001573662806 948030252 /nfs/dbraw/zinc/03/02/52/948030252.db2.gz GYYZXKHOBLYRDW-CHWSQXEVSA-N -1 1 386.460 1.313 20 0 GDADMM Cc1onc(CC(=O)NC(C)(C)CCC(=O)OC(C)(C)C)c1-c1nnn[n-]1 ZINC000826345879 948030689 /nfs/dbraw/zinc/03/06/89/948030689.db2.gz WWVLSIWFKKANJZ-UHFFFAOYSA-N -1 1 378.433 1.722 20 0 GDADMM Cc1onc(CC(=O)NC(C)(C)CCC(=O)OC(C)(C)C)c1-c1nn[n-]n1 ZINC000826345879 948030698 /nfs/dbraw/zinc/03/06/98/948030698.db2.gz WWVLSIWFKKANJZ-UHFFFAOYSA-N -1 1 378.433 1.722 20 0 GDADMM Cc1onc(CC(=O)N[C@H](C)c2cccc(N3CCCC3=O)c2)c1-c1nnn[n-]1 ZINC000826345850 948031857 /nfs/dbraw/zinc/03/18/57/948031857.db2.gz WBTAOPIMJRXWLR-LLVKDONJSA-N -1 1 395.423 1.710 20 0 GDADMM Cc1onc(CC(=O)N[C@H](C)c2cccc(N3CCCC3=O)c2)c1-c1nn[n-]n1 ZINC000826345850 948031862 /nfs/dbraw/zinc/03/18/62/948031862.db2.gz WBTAOPIMJRXWLR-LLVKDONJSA-N -1 1 395.423 1.710 20 0 GDADMM C[C@H](C(=O)N[C@@]12CCC[C@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2)C(C)(F)F ZINC001573663061 948032138 /nfs/dbraw/zinc/03/21/38/948032138.db2.gz IQBWIAUWGPPGKE-ILMHXZGMSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H](C(=O)N[C@@]12CCC[C@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2)C(C)(F)F ZINC001573663061 948032142 /nfs/dbraw/zinc/03/21/42/948032142.db2.gz IQBWIAUWGPPGKE-ILMHXZGMSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@@H](C(=O)NC1(CNc2cnc(-c3nnn[n-]3)cn2)CCCC1)c1ccco1 ZINC001573664714 948059367 /nfs/dbraw/zinc/05/93/67/948059367.db2.gz XNBRHCRYCWDTNI-GFCCVEGCSA-N -1 1 382.428 1.894 20 0 GDADMM C[C@@H](C(=O)NC1(CNc2cnc(-c3nn[n-]n3)cn2)CCCC1)c1ccco1 ZINC001573664714 948059372 /nfs/dbraw/zinc/05/93/72/948059372.db2.gz XNBRHCRYCWDTNI-GFCCVEGCSA-N -1 1 382.428 1.894 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cccs1 ZINC001573664829 948061841 /nfs/dbraw/zinc/06/18/41/948061841.db2.gz HAFHMUDICPVWDH-NWDGAFQWSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cccs1 ZINC001573664829 948061850 /nfs/dbraw/zinc/06/18/50/948061850.db2.gz HAFHMUDICPVWDH-NWDGAFQWSA-N -1 1 384.469 1.607 20 0 GDADMM Cc1onc(CC(=O)NCc2cccc(N3CCCC3=O)c2)c1-c1nnn[n-]1 ZINC000826347899 948062601 /nfs/dbraw/zinc/06/26/01/948062601.db2.gz KYDYWIKWSNGTFB-UHFFFAOYSA-N -1 1 381.396 1.149 20 0 GDADMM Cc1onc(CC(=O)NCc2cccc(N3CCCC3=O)c2)c1-c1nn[n-]n1 ZINC000826347899 948062612 /nfs/dbraw/zinc/06/26/12/948062612.db2.gz KYDYWIKWSNGTFB-UHFFFAOYSA-N -1 1 381.396 1.149 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)c1-c1nnn[n-]1 ZINC000826348282 948071280 /nfs/dbraw/zinc/07/12/80/948071280.db2.gz FNVUIIXYDBRCHP-QWRGUYRKSA-N -1 1 398.427 1.353 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)c1-c1nn[n-]n1 ZINC000826348282 948071289 /nfs/dbraw/zinc/07/12/89/948071289.db2.gz FNVUIIXYDBRCHP-QWRGUYRKSA-N -1 1 398.427 1.353 20 0 GDADMM Cc1onc(CC(=O)N[C@H](CC(N)=O)c2cccc(Cl)c2)c1-c1nnn[n-]1 ZINC000826348412 948072840 /nfs/dbraw/zinc/07/28/40/948072840.db2.gz KYJORXYYGRDWAW-LLVKDONJSA-N -1 1 389.803 1.092 20 0 GDADMM Cc1onc(CC(=O)N[C@H](CC(N)=O)c2cccc(Cl)c2)c1-c1nn[n-]n1 ZINC000826348412 948072852 /nfs/dbraw/zinc/07/28/52/948072852.db2.gz KYJORXYYGRDWAW-LLVKDONJSA-N -1 1 389.803 1.092 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1)C1CCCC1 ZINC001573666625 948088994 /nfs/dbraw/zinc/08/89/94/948088994.db2.gz URPZHFLMAIFZCH-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1)C1CCCC1 ZINC001573666625 948089003 /nfs/dbraw/zinc/08/90/03/948089003.db2.gz URPZHFLMAIFZCH-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM CC(=O)N(Cc1ccccn1)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573414139 948091152 /nfs/dbraw/zinc/09/11/52/948091152.db2.gz HQJMPEHQULDMEV-UHFFFAOYSA-N -1 1 379.428 1.069 20 0 GDADMM CC(=O)N(Cc1ccccn1)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573414139 948091159 /nfs/dbraw/zinc/09/11/59/948091159.db2.gz HQJMPEHQULDMEV-UHFFFAOYSA-N -1 1 379.428 1.069 20 0 GDADMM Cc1onc(CC(=O)Nc2ccccc2CN2CCOCC2)c1-c1nnn[n-]1 ZINC000826349166 948091405 /nfs/dbraw/zinc/09/14/05/948091405.db2.gz XKVJFJPPMGSYMU-UHFFFAOYSA-N -1 1 383.412 1.177 20 0 GDADMM Cc1onc(CC(=O)Nc2ccccc2CN2CCOCC2)c1-c1nn[n-]n1 ZINC000826349166 948091411 /nfs/dbraw/zinc/09/14/11/948091411.db2.gz XKVJFJPPMGSYMU-UHFFFAOYSA-N -1 1 383.412 1.177 20 0 GDADMM C[C@H](C(=O)N[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C)C1CCCC1 ZINC001573678355 948149777 /nfs/dbraw/zinc/14/97/77/948149777.db2.gz HEIDERYNOQCKMS-WFASDCNBSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)N[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C)C1CCCC1 ZINC001573678355 948149782 /nfs/dbraw/zinc/14/97/82/948149782.db2.gz HEIDERYNOQCKMS-WFASDCNBSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)NC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)c1ccccc1)C1CC1 ZINC001573679707 948165624 /nfs/dbraw/zinc/16/56/24/948165624.db2.gz JQTXCIJTUGUGPL-WFASDCNBSA-N -1 1 378.440 1.972 20 0 GDADMM C[C@H](C(=O)NC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)c1ccccc1)C1CC1 ZINC001573679707 948165628 /nfs/dbraw/zinc/16/56/28/948165628.db2.gz JQTXCIJTUGUGPL-WFASDCNBSA-N -1 1 378.440 1.972 20 0 GDADMM C[C@H](C(=O)NC[C@@H](Nc1nccnc1-c1nnn[n-]1)C1CC1)c1ccsc1 ZINC001573680451 948179860 /nfs/dbraw/zinc/17/98/60/948179860.db2.gz NUQYEVSGFGWBKM-GXFFZTMASA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NC[C@@H](Nc1nccnc1-c1nn[n-]n1)C1CC1)c1ccsc1 ZINC001573680451 948179865 /nfs/dbraw/zinc/17/98/65/948179865.db2.gz NUQYEVSGFGWBKM-GXFFZTMASA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C)c1ccco1 ZINC001573680728 948186396 /nfs/dbraw/zinc/18/63/96/948186396.db2.gz RJNRCGDCKPZUIK-SMDDNHRTSA-N -1 1 382.428 1.384 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C)c1ccco1 ZINC001573680728 948186402 /nfs/dbraw/zinc/18/64/02/948186402.db2.gz RJNRCGDCKPZUIK-SMDDNHRTSA-N -1 1 382.428 1.384 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C)n1cccc1 ZINC001573680955 948191052 /nfs/dbraw/zinc/19/10/52/948191052.db2.gz SVBHJYLBNHJXDK-JSGCOSHPSA-N -1 1 381.444 1.050 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C)n1cccc1 ZINC001573680955 948191054 /nfs/dbraw/zinc/19/10/54/948191054.db2.gz SVBHJYLBNHJXDK-JSGCOSHPSA-N -1 1 381.444 1.050 20 0 GDADMM C[C@H](C(=O)NC[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1)c1cccnc1 ZINC001573681189 948197917 /nfs/dbraw/zinc/19/79/17/948197917.db2.gz SOLYTKJWEHHIFR-FZMZJTMJSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@H](C(=O)NC[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1)c1cccnc1 ZINC001573681189 948197920 /nfs/dbraw/zinc/19/79/20/948197920.db2.gz SOLYTKJWEHHIFR-FZMZJTMJSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)c1cccs1 ZINC001573701903 948341330 /nfs/dbraw/zinc/34/13/30/948341330.db2.gz BNODVMNAJHGYDD-VXGBXAGGSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)c1cccs1 ZINC001573701903 948341336 /nfs/dbraw/zinc/34/13/36/948341336.db2.gz BNODVMNAJHGYDD-VXGBXAGGSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCCN1c1nccnc1-c1nnn[n-]1)C(F)(F)F ZINC001573702856 948348621 /nfs/dbraw/zinc/34/86/21/948348621.db2.gz GNSQNJDWDCRYIF-NXEZZACHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCCN1c1nccnc1-c1nn[n-]n1)C(F)(F)F ZINC001573702856 948348628 /nfs/dbraw/zinc/34/86/28/948348628.db2.gz GNSQNJDWDCRYIF-NXEZZACHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCCCN1c1cncc(-c2nnn[n-]2)n1)C1CCC1 ZINC001573703422 948356357 /nfs/dbraw/zinc/35/63/57/948356357.db2.gz JYUNPCFQKCLZLA-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCCCN1c1cncc(-c2nn[n-]n2)n1)C1CCC1 ZINC001573703422 948356362 /nfs/dbraw/zinc/35/63/62/948356362.db2.gz JYUNPCFQKCLZLA-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)C(C)(F)F ZINC001573704010 948362462 /nfs/dbraw/zinc/36/24/62/948362462.db2.gz NYSIVOOXVZNPCU-GHMZBOCLSA-N -1 1 380.403 1.281 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573704010 948362471 /nfs/dbraw/zinc/36/24/71/948362471.db2.gz NYSIVOOXVZNPCU-GHMZBOCLSA-N -1 1 380.403 1.281 20 0 GDADMM C[C@H](C(=O)NCCC1(CNc2cncc(-c3nnn[n-]3)n2)CC1)[C@@H]1CCCO1 ZINC001573704972 948388059 /nfs/dbraw/zinc/38/80/59/948388059.db2.gz CFAYHNBOFVENHF-JSGCOSHPSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@H](C(=O)NCCC1(CNc2cncc(-c3nn[n-]n3)n2)CC1)[C@@H]1CCCO1 ZINC001573704972 948388068 /nfs/dbraw/zinc/38/80/68/948388068.db2.gz CFAYHNBOFVENHF-JSGCOSHPSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1)C(C)(F)F ZINC001573705346 948399278 /nfs/dbraw/zinc/39/92/78/948399278.db2.gz WAWSGPHSFFTURH-QWRGUYRKSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1)C(C)(F)F ZINC001573705346 948399284 /nfs/dbraw/zinc/39/92/84/948399284.db2.gz WAWSGPHSFFTURH-QWRGUYRKSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H](C(=O)NCCC1(CNc2ccc(-c3nnn[n-]3)nn2)CC1)[C@H]1CCCO1 ZINC001573705383 948400405 /nfs/dbraw/zinc/40/04/05/948400405.db2.gz FKHGCDGJOLONIA-GXTWGEPZSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@H](C(=O)NCCC1(CNc2ccc(-c3nn[n-]n3)nn2)CC1)[C@H]1CCCO1 ZINC001573705383 948400412 /nfs/dbraw/zinc/40/04/12/948400412.db2.gz FKHGCDGJOLONIA-GXTWGEPZSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001573705455 948400824 /nfs/dbraw/zinc/40/08/24/948400824.db2.gz WXRQSWDUNLCQRU-ZIAGYGMSSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001573705455 948400826 /nfs/dbraw/zinc/40/08/26/948400826.db2.gz WXRQSWDUNLCQRU-ZIAGYGMSSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCCN1c1nccnc1-c1nnn[n-]1)C(C)(F)F ZINC001573705695 948406547 /nfs/dbraw/zinc/40/65/47/948406547.db2.gz XPUNRJGODAEFAB-GHMZBOCLSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCCN1c1nccnc1-c1nn[n-]n1)C(C)(F)F ZINC001573705695 948406553 /nfs/dbraw/zinc/40/65/53/948406553.db2.gz XPUNRJGODAEFAB-GHMZBOCLSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](C(=O)NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C1CCCC1 ZINC001573706782 948424620 /nfs/dbraw/zinc/42/46/20/948424620.db2.gz LZZMGKBVZJWRIB-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)c1ccco1 ZINC001573708755 948458405 /nfs/dbraw/zinc/45/84/05/948458405.db2.gz XDHVRNGVFXGGDE-GFCCVEGCSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@@H](C(=O)NCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)c1ccco1 ZINC001573708755 948458411 /nfs/dbraw/zinc/45/84/11/948458411.db2.gz XDHVRNGVFXGGDE-GFCCVEGCSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@@H](C(=O)NCC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001573714884 948478735 /nfs/dbraw/zinc/47/87/35/948478735.db2.gz KLJFXWVELXYNFP-UONOGXRCSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](C(=O)NCC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001573714884 948478746 /nfs/dbraw/zinc/47/87/46/948478746.db2.gz KLJFXWVELXYNFP-UONOGXRCSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](C(=O)NCC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CCCC1 ZINC001573715471 948491514 /nfs/dbraw/zinc/49/15/14/948491514.db2.gz WQAJSVPCNAAYOH-KGLIPLIRSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NCC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CCCC1 ZINC001573715471 948491521 /nfs/dbraw/zinc/49/15/21/948491521.db2.gz WQAJSVPCNAAYOH-KGLIPLIRSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NCC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C)n1cccc1 ZINC001573716927 948502346 /nfs/dbraw/zinc/50/23/46/948502346.db2.gz KCLGCWFIXIKQQP-RBSFLKMASA-N -1 1 395.471 1.298 20 0 GDADMM C[C@H](C(=O)NCC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C)n1cccc1 ZINC001573716927 948502354 /nfs/dbraw/zinc/50/23/54/948502354.db2.gz KCLGCWFIXIKQQP-RBSFLKMASA-N -1 1 395.471 1.298 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1nc(-c2nn[n-]n2)c(Cl)s1)c1ccco1 ZINC001573719722 948528706 /nfs/dbraw/zinc/52/87/06/948528706.db2.gz OHHYVBOTHWBAKM-QMMMGPOBSA-N -1 1 381.849 1.926 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1)c1c(F)cccc1F ZINC001573720151 948530311 /nfs/dbraw/zinc/53/03/11/948530311.db2.gz PJAVBTXJXVGDPF-JTQLQIEISA-N -1 1 388.382 1.291 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1)c1c(F)cccc1F ZINC001573720151 948530322 /nfs/dbraw/zinc/53/03/22/948530322.db2.gz PJAVBTXJXVGDPF-JTQLQIEISA-N -1 1 388.382 1.291 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1nccnc1-c1nnn[n-]1)c1ccc(Cl)s1 ZINC001573721582 948541615 /nfs/dbraw/zinc/54/16/15/948541615.db2.gz YRZNVBWOZSOOCC-VIFPVBQESA-N -1 1 392.876 1.728 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1nccnc1-c1nn[n-]n1)c1ccc(Cl)s1 ZINC001573721582 948541621 /nfs/dbraw/zinc/54/16/21/948541621.db2.gz YRZNVBWOZSOOCC-VIFPVBQESA-N -1 1 392.876 1.728 20 0 GDADMM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)[C@H](C)C(C)(C)C ZINC001573727546 948555680 /nfs/dbraw/zinc/55/56/80/948555680.db2.gz ADHROTUDKBCXLT-XUXIUFHCSA-N -1 1 386.504 1.704 20 0 GDADMM C[C@@H](C(=O)NCc1ccc(-c2nn[n-]n2)s1)c1ccc(S(C)(=O)=O)cc1 ZINC001573729125 948564721 /nfs/dbraw/zinc/56/47/21/948564721.db2.gz HFERHDKRCLEWQW-SNVBAGLBSA-N -1 1 391.478 1.752 20 0 GDADMM C[C@H](NC(=O)[C@@H](C)C1CCC1)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573730671 948583582 /nfs/dbraw/zinc/58/35/82/948583582.db2.gz BCZXADTVFPNDFQ-STQMWFEESA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](NC(=O)[C@@H](C)C1CCC1)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573730671 948583591 /nfs/dbraw/zinc/58/35/91/948583591.db2.gz BCZXADTVFPNDFQ-STQMWFEESA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)N[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1)c1c(F)cccc1F ZINC001573732710 948608134 /nfs/dbraw/zinc/60/81/34/948608134.db2.gz VWHHNGKWCWAXGL-VHSXEESVSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@@H](C(=O)N[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1)c1c(F)cccc1F ZINC001573732710 948608142 /nfs/dbraw/zinc/60/81/42/948608142.db2.gz VWHHNGKWCWAXGL-VHSXEESVSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001573736464 948616540 /nfs/dbraw/zinc/61/65/40/948616540.db2.gz VZYICOYBDOJQLF-IVZWLZJFSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001573736464 948616544 /nfs/dbraw/zinc/61/65/44/948616544.db2.gz VZYICOYBDOJQLF-IVZWLZJFSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001573739234 948617957 /nfs/dbraw/zinc/61/79/57/948617957.db2.gz BFKKUFZDRTVLOU-PZDGAKPMSA-N -1 1 390.451 1.897 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001573739234 948617961 /nfs/dbraw/zinc/61/79/61/948617961.db2.gz BFKKUFZDRTVLOU-PZDGAKPMSA-N -1 1 390.451 1.897 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1)C(C)(F)F ZINC001573740396 948634323 /nfs/dbraw/zinc/63/43/23/948634323.db2.gz NWGUIYVUALZCQU-ZDCRXTMVSA-N -1 1 378.387 1.174 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1)C(C)(F)F ZINC001573740396 948634327 /nfs/dbraw/zinc/63/43/27/948634327.db2.gz NWGUIYVUALZCQU-ZDCRXTMVSA-N -1 1 378.387 1.174 20 0 GDADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@@H](C)n1cccn1 ZINC001573742692 948664650 /nfs/dbraw/zinc/66/46/50/948664650.db2.gz QFMKTJKWGFPUHM-HTQZYQBOSA-N -1 1 381.853 1.351 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)[C@@H](C)C(C)(C)C ZINC001573746533 948684898 /nfs/dbraw/zinc/68/48/98/948684898.db2.gz KTOMPIAJQGUHAK-AAVRWANBSA-N -1 1 386.504 1.704 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)c1cccnc1 ZINC001573748518 948696185 /nfs/dbraw/zinc/69/61/85/948696185.db2.gz VCFUHJCXTGWLBE-OBJOEFQTSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)c1cccnc1 ZINC001573748518 948696192 /nfs/dbraw/zinc/69/61/92/948696192.db2.gz VCFUHJCXTGWLBE-OBJOEFQTSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1)c1cccnc1 ZINC001573751860 948707151 /nfs/dbraw/zinc/70/71/51/948707151.db2.gz FZLBMSPTKKSKTJ-RZFFKMDDSA-N -1 1 391.439 1.081 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1)c1cccnc1 ZINC001573751860 948707157 /nfs/dbraw/zinc/70/71/57/948707157.db2.gz FZLBMSPTKKSKTJ-RZFFKMDDSA-N -1 1 391.439 1.081 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H](F)Cc1ccccc1 ZINC001574678336 948745816 /nfs/dbraw/zinc/74/58/16/948745816.db2.gz DCNYFLBDOYXYQX-OCCSQVGLSA-N -1 1 384.419 1.544 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H](F)Cc1ccccc1 ZINC001574678336 948745822 /nfs/dbraw/zinc/74/58/22/948745822.db2.gz DCNYFLBDOYXYQX-OCCSQVGLSA-N -1 1 384.419 1.544 20 0 GDADMM CC(C)[C@@H](F)C(=O)N1CCC[C@@H](CN(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574075634 948747032 /nfs/dbraw/zinc/74/70/32/948747032.db2.gz XPTFLTFCSQIPNF-GXTWGEPZSA-N -1 1 376.440 1.326 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001575221818 948751917 /nfs/dbraw/zinc/75/19/17/948751917.db2.gz DHGBXRCESPAPGO-SNVBAGLBSA-N -1 1 378.387 1.035 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001575221818 948751933 /nfs/dbraw/zinc/75/19/33/948751933.db2.gz DHGBXRCESPAPGO-SNVBAGLBSA-N -1 1 378.387 1.035 20 0 GDADMM C[C@H](CNC(=O)CCc1ccc(F)cc1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574914480 948752632 /nfs/dbraw/zinc/75/26/32/948752632.db2.gz KMJRNSGTTLNJFW-GFCCVEGCSA-N -1 1 384.419 1.370 20 0 GDADMM C[C@H](CNC(=O)CCc1ccc(F)cc1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574914480 948752644 /nfs/dbraw/zinc/75/26/44/948752644.db2.gz KMJRNSGTTLNJFW-GFCCVEGCSA-N -1 1 384.419 1.370 20 0 GDADMM C[C@H](C(=O)Nc1cccc(Nc2ccnc(-c3nnn[n-]3)c2)c1)n1cccn1 ZINC001573755173 948756064 /nfs/dbraw/zinc/75/60/64/948756064.db2.gz BPYANQZUNVHYHR-GFCCVEGCSA-N -1 1 375.396 1.823 20 0 GDADMM C[C@H](C(=O)Nc1cccc(Nc2ccnc(-c3nn[n-]n3)c2)c1)n1cccn1 ZINC001573755173 948756074 /nfs/dbraw/zinc/75/60/74/948756074.db2.gz BPYANQZUNVHYHR-GFCCVEGCSA-N -1 1 375.396 1.823 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CCCC[C@H]2Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575223290 948761254 /nfs/dbraw/zinc/76/12/54/948761254.db2.gz MVXNVWQTAHEKKU-GHMZBOCLSA-N -1 1 392.414 1.931 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CCCC[C@H]2Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575223290 948761264 /nfs/dbraw/zinc/76/12/64/948761264.db2.gz MVXNVWQTAHEKKU-GHMZBOCLSA-N -1 1 392.414 1.931 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)C1(Cc2ccccc2)CC1 ZINC001574678874 948762189 /nfs/dbraw/zinc/76/21/89/948762189.db2.gz KRLQGJWGCGQEBH-AWEZNQCLSA-N -1 1 392.467 1.986 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)C1(Cc2ccccc2)CC1 ZINC001574678874 948762198 /nfs/dbraw/zinc/76/21/98/948762198.db2.gz KRLQGJWGCGQEBH-AWEZNQCLSA-N -1 1 392.467 1.986 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@H](C)[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)n1 ZINC001574417044 948762797 /nfs/dbraw/zinc/76/27/97/948762797.db2.gz KBYCIVLOBVFCLY-NWDGAFQWSA-N -1 1 381.444 1.794 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@H](C)[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)n1 ZINC001574417044 948762804 /nfs/dbraw/zinc/76/28/04/948762804.db2.gz KBYCIVLOBVFCLY-NWDGAFQWSA-N -1 1 381.444 1.794 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)Cc1c(F)cccc1F ZINC001574679051 948765583 /nfs/dbraw/zinc/76/55/83/948765583.db2.gz MJDAIAYJQGTZQB-JTQLQIEISA-N -1 1 388.382 1.484 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)Cc1c(F)cccc1F ZINC001574679051 948765597 /nfs/dbraw/zinc/76/55/97/948765597.db2.gz MJDAIAYJQGTZQB-JTQLQIEISA-N -1 1 388.382 1.484 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cc2n(c1)CCCC2 ZINC001574679147 948765733 /nfs/dbraw/zinc/76/57/33/948765733.db2.gz OVYBYEQOKOXKIP-LBPRGKRZSA-N -1 1 381.444 1.415 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cc2n(c1)CCCC2 ZINC001574679147 948765740 /nfs/dbraw/zinc/76/57/40/948765740.db2.gz OVYBYEQOKOXKIP-LBPRGKRZSA-N -1 1 381.444 1.415 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)Cc1ccc(Cl)s1 ZINC001574679093 948767228 /nfs/dbraw/zinc/76/72/28/948767228.db2.gz NIFFUDWLGGLVOX-VIFPVBQESA-N -1 1 392.876 1.921 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)Cc1ccc(Cl)s1 ZINC001574679093 948767240 /nfs/dbraw/zinc/76/72/40/948767240.db2.gz NIFFUDWLGGLVOX-VIFPVBQESA-N -1 1 392.876 1.921 20 0 GDADMM CC(C)[C@H](F)C(=O)NCc1ccc(CNc2nccnc2-c2nnn[n-]2)cc1 ZINC001574079684 948773432 /nfs/dbraw/zinc/77/34/32/948773432.db2.gz FBHFQQUHSWDRFB-AWEZNQCLSA-N -1 1 384.419 1.879 20 0 GDADMM CC(C)[C@H](F)C(=O)NCc1ccc(CNc2nccnc2-c2nn[n-]n2)cc1 ZINC001574079684 948773453 /nfs/dbraw/zinc/77/34/53/948773453.db2.gz FBHFQQUHSWDRFB-AWEZNQCLSA-N -1 1 384.419 1.879 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CCC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001575223929 948775131 /nfs/dbraw/zinc/77/51/31/948775131.db2.gz PTRKGUJWQFRGBN-GHMZBOCLSA-N -1 1 392.414 1.931 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CCC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001575223929 948775140 /nfs/dbraw/zinc/77/51/40/948775140.db2.gz PTRKGUJWQFRGBN-GHMZBOCLSA-N -1 1 392.414 1.931 20 0 GDADMM CC(C)c1cccc(C(=O)NCC2(Nc3ccnc(-c4nn[n-]n4)n3)CCC2)c1 ZINC001574418500 948775555 /nfs/dbraw/zinc/77/55/55/948775555.db2.gz XGVNJNWTKRJJPM-UHFFFAOYSA-N -1 1 392.467 1.967 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001575223921 948775458 /nfs/dbraw/zinc/77/54/58/948775458.db2.gz PLPXTRAMIOVRGS-JTQLQIEISA-N -1 1 378.387 1.495 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575223921 948775470 /nfs/dbraw/zinc/77/54/70/948775470.db2.gz PLPXTRAMIOVRGS-JTQLQIEISA-N -1 1 378.387 1.495 20 0 GDADMM CC(C)c1cccc(C(=O)N(C)[C@@H](C)CNc2ccnc(-c3nn[n-]n3)n2)n1 ZINC001574418510 948776581 /nfs/dbraw/zinc/77/65/81/948776581.db2.gz XMXIPGMJXNGIFM-LBPRGKRZSA-N -1 1 381.444 1.170 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001574418200 948777942 /nfs/dbraw/zinc/77/79/42/948777942.db2.gz VHVZHLZMVKIKLD-GFCCVEGCSA-N -1 1 379.428 1.184 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001574418200 948777948 /nfs/dbraw/zinc/77/79/48/948777948.db2.gz VHVZHLZMVKIKLD-GFCCVEGCSA-N -1 1 379.428 1.184 20 0 GDADMM CC(F)(F)C1(C(=O)NCC2(Nc3cnc(-c4nnn[n-]4)cn3)CCCC2)CC1 ZINC001575223976 948778536 /nfs/dbraw/zinc/77/85/36/948778536.db2.gz RGQQUYREJZDLCV-UHFFFAOYSA-N -1 1 392.414 1.933 20 0 GDADMM CC(F)(F)C1(C(=O)NCC2(Nc3cnc(-c4nn[n-]n4)cn3)CCCC2)CC1 ZINC001575223976 948778547 /nfs/dbraw/zinc/77/85/47/948778547.db2.gz RGQQUYREJZDLCV-UHFFFAOYSA-N -1 1 392.414 1.933 20 0 GDADMM CC(C)[C@@H](F)C(=O)N[C@@H](C)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001574080113 948783937 /nfs/dbraw/zinc/78/39/37/948783937.db2.gz HHWVRTOPQFSQHU-WCQYABFASA-N -1 1 376.440 1.372 20 0 GDADMM CC(C)[C@@H](F)C(=O)N[C@@H](C)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001574080113 948783950 /nfs/dbraw/zinc/78/39/50/948783950.db2.gz HHWVRTOPQFSQHU-WCQYABFASA-N -1 1 376.440 1.372 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCC[C@H]2CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001575224416 948784700 /nfs/dbraw/zinc/78/47/00/948784700.db2.gz WCTSTKYQFSGANG-JTQLQIEISA-N -1 1 378.387 1.495 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCC[C@H]2CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001575224416 948784709 /nfs/dbraw/zinc/78/47/09/948784709.db2.gz WCTSTKYQFSGANG-JTQLQIEISA-N -1 1 378.387 1.495 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CCc2ccccc2C1 ZINC001574679598 948788532 /nfs/dbraw/zinc/78/85/32/948788532.db2.gz YLKFDBFDSMORBI-CZUORRHYSA-N -1 1 392.467 1.769 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCc2ccccc2C1 ZINC001574679598 948788534 /nfs/dbraw/zinc/78/85/34/948788534.db2.gz YLKFDBFDSMORBI-CZUORRHYSA-N -1 1 392.467 1.769 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)CC(C)(C)C(F)(F)F ZINC001574680341 948802635 /nfs/dbraw/zinc/80/26/35/948802635.db2.gz GEDGVBPEXOBNHH-SECBINFHSA-N -1 1 386.382 1.942 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)CC(C)(C)C(F)(F)F ZINC001574680341 948802657 /nfs/dbraw/zinc/80/26/57/948802657.db2.gz GEDGVBPEXOBNHH-SECBINFHSA-N -1 1 386.382 1.942 20 0 GDADMM CC(C)c1ccccc1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574420602 948802868 /nfs/dbraw/zinc/80/28/68/948802868.db2.gz ZSDQJWBQCIPWRD-ZDUSSCGKSA-N -1 1 378.440 1.789 20 0 GDADMM CC(C)c1ccoc1C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574421082 948809366 /nfs/dbraw/zinc/80/93/66/948809366.db2.gz GHWOAUNIYCQGHJ-HAQNSBGRSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1ccoc1C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574421082 948809382 /nfs/dbraw/zinc/80/93/82/948809382.db2.gz GHWOAUNIYCQGHJ-HAQNSBGRSA-N -1 1 382.428 1.994 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001575226226 948812158 /nfs/dbraw/zinc/81/21/58/948812158.db2.gz JMNUFHREZDMLCG-KRWDZBQOSA-N -1 1 392.414 1.521 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@@H]2[C@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001575226225 948814951 /nfs/dbraw/zinc/81/49/51/948814951.db2.gz JJKRYXFSKAATLJ-VXGBXAGGSA-N -1 1 378.387 1.272 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@@H]2[C@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001575226225 948814967 /nfs/dbraw/zinc/81/49/67/948814967.db2.gz JJKRYXFSKAATLJ-VXGBXAGGSA-N -1 1 378.387 1.272 20 0 GDADMM CC(C)[C@@H](F)C(=O)N[C@@H](C)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574081113 948820499 /nfs/dbraw/zinc/82/04/99/948820499.db2.gz QBKQKXMTUFAGIQ-SMDDNHRTSA-N -1 1 376.440 1.372 20 0 GDADMM CC(C)c1ccoc1C(=O)N1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574421982 948825933 /nfs/dbraw/zinc/82/59/33/948825933.db2.gz SMZADLQRBVXMOA-LBPRGKRZSA-N -1 1 382.428 1.724 20 0 GDADMM CC(C)c1ccoc1C(=O)N1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574421982 948825952 /nfs/dbraw/zinc/82/59/52/948825952.db2.gz SMZADLQRBVXMOA-LBPRGKRZSA-N -1 1 382.428 1.724 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[C@H]1CCC(F)(F)C1 ZINC001574682627 948830235 /nfs/dbraw/zinc/83/02/35/948830235.db2.gz QZOIZLYEGOLDBY-WDEREUQCSA-N -1 1 380.403 1.789 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[C@H]1CCC(F)(F)C1 ZINC001574682627 948830250 /nfs/dbraw/zinc/83/02/50/948830250.db2.gz QZOIZLYEGOLDBY-WDEREUQCSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001575227384 948831023 /nfs/dbraw/zinc/83/10/23/948831023.db2.gz VQNIHDRWPDDYKQ-LLVKDONJSA-N -1 1 380.403 1.743 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001575227384 948831041 /nfs/dbraw/zinc/83/10/41/948831041.db2.gz VQNIHDRWPDDYKQ-LLVKDONJSA-N -1 1 380.403 1.743 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001574682603 948832099 /nfs/dbraw/zinc/83/20/99/948832099.db2.gz QYJQZWUOLQFOSV-FPMFFAJLSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001574682603 948832114 /nfs/dbraw/zinc/83/21/14/948832114.db2.gz QYJQZWUOLQFOSV-FPMFFAJLSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1csc(C2CC2)n1 ZINC001574682598 948832453 /nfs/dbraw/zinc/83/24/53/948832453.db2.gz QVNZMUSITVRAEL-VIFPVBQESA-N -1 1 385.457 1.611 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1csc(C2CC2)n1 ZINC001574682598 948832471 /nfs/dbraw/zinc/83/24/71/948832471.db2.gz QVNZMUSITVRAEL-VIFPVBQESA-N -1 1 385.457 1.611 20 0 GDADMM CC(C)c1ccoc1C(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574422284 948832572 /nfs/dbraw/zinc/83/25/72/948832572.db2.gz YHZHYUPNWLXOGG-UHFFFAOYSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1ccoc1C(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574422284 948832594 /nfs/dbraw/zinc/83/25/94/948832594.db2.gz YHZHYUPNWLXOGG-UHFFFAOYSA-N -1 1 382.428 1.772 20 0 GDADMM C[C@H](CNC(=O)CCCc1cccs1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574917972 948832536 /nfs/dbraw/zinc/83/25/36/948832536.db2.gz DREFBUOZEYSIAO-GFCCVEGCSA-N -1 1 386.485 1.682 20 0 GDADMM C[C@H](CNC(=O)CCCc1cccs1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574917972 948832554 /nfs/dbraw/zinc/83/25/54/948832554.db2.gz DREFBUOZEYSIAO-GFCCVEGCSA-N -1 1 386.485 1.682 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cc1c(F)cccc1F ZINC001574683142 948839843 /nfs/dbraw/zinc/83/98/43/948839843.db2.gz VGJFRTLSKJCKHR-JTQLQIEISA-N -1 1 388.382 1.484 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cc1c(F)cccc1F ZINC001574683142 948839859 /nfs/dbraw/zinc/83/98/59/948839859.db2.gz VGJFRTLSKJCKHR-JTQLQIEISA-N -1 1 388.382 1.484 20 0 GDADMM CC(C)c1ccsc1C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574424109 948840372 /nfs/dbraw/zinc/84/03/72/948840372.db2.gz FJWFZQANHOMQMG-LLVKDONJSA-N -1 1 384.469 1.850 20 0 GDADMM CC(C)c1ccsc1C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574424109 948840390 /nfs/dbraw/zinc/84/03/90/948840390.db2.gz FJWFZQANHOMQMG-LLVKDONJSA-N -1 1 384.469 1.850 20 0 GDADMM CC(C)[C@@H](F)C(=O)NC[C@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574082029 948846592 /nfs/dbraw/zinc/84/65/92/948846592.db2.gz ZPENFTAOWAOZOP-UMVBOHGHSA-N -1 1 390.467 1.407 20 0 GDADMM CC(C)c1nc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)cs1 ZINC001574424572 948855721 /nfs/dbraw/zinc/85/57/21/948855721.db2.gz QJTXHQQQIVVAPE-SNVBAGLBSA-N -1 1 385.457 1.563 20 0 GDADMM CC(C)c1nc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)cs1 ZINC001574424572 948855741 /nfs/dbraw/zinc/85/57/41/948855741.db2.gz QJTXHQQQIVVAPE-SNVBAGLBSA-N -1 1 385.457 1.563 20 0 GDADMM C[C@@H](CCNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)c1ncccc1[O-] ZINC001574684259 948857859 /nfs/dbraw/zinc/85/78/59/948857859.db2.gz CNRDFRDMBFPWSF-VIFPVBQESA-N -1 1 388.819 1.636 20 0 GDADMM CC(C)c1nc(C(=O)N[C@@H](C)[C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)cs1 ZINC001574424607 948860313 /nfs/dbraw/zinc/86/03/13/948860313.db2.gz RHYOPLZIQWGWEM-ZJUUUORDSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1nc(C(=O)N[C@@H](C)[C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)cs1 ZINC001574424607 948860329 /nfs/dbraw/zinc/86/03/29/948860329.db2.gz RHYOPLZIQWGWEM-ZJUUUORDSA-N -1 1 387.473 1.856 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)COCC1CC1 ZINC001574684204 948860532 /nfs/dbraw/zinc/86/05/32/948860532.db2.gz CDKKZSABJLROQW-MRVPVSSYSA-N -1 1 385.881 1.710 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)COCC1CC1 ZINC001574684204 948860540 /nfs/dbraw/zinc/86/05/40/948860540.db2.gz CDKKZSABJLROQW-MRVPVSSYSA-N -1 1 385.881 1.710 20 0 GDADMM CC(F)(F)CC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001575232529 948873359 /nfs/dbraw/zinc/87/33/59/948873359.db2.gz DNVDOIRXJOQMNV-FGWVZKOKSA-N -1 1 378.387 1.318 20 0 GDADMM CC(F)(F)CC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001575232529 948873376 /nfs/dbraw/zinc/87/33/76/948873376.db2.gz DNVDOIRXJOQMNV-FGWVZKOKSA-N -1 1 378.387 1.318 20 0 GDADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)C1=COCCC1 ZINC001574684492 948875050 /nfs/dbraw/zinc/87/50/50/948875050.db2.gz HJSUZMNPVTVJNJ-QMMMGPOBSA-N -1 1 383.865 1.978 20 0 GDADMM C[C@H](CNC(=O)CCCc1ccc(F)cc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574919379 948876957 /nfs/dbraw/zinc/87/69/57/948876957.db2.gz XVGJBZLQAILCEE-GFCCVEGCSA-N -1 1 384.419 1.735 20 0 GDADMM C[C@H](CNC(=O)CCCc1ccc(F)cc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574919379 948876976 /nfs/dbraw/zinc/87/69/76/948876976.db2.gz XVGJBZLQAILCEE-GFCCVEGCSA-N -1 1 384.419 1.735 20 0 GDADMM CC(C)(C(=O)N1CCC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1)C(F)F ZINC001573764080 948882251 /nfs/dbraw/zinc/88/22/51/948882251.db2.gz LAARJQJLOZNWSX-JTQLQIEISA-N -1 1 380.403 1.599 20 0 GDADMM CC(C)(C(=O)N1CCC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1)C(F)F ZINC001573764080 948882258 /nfs/dbraw/zinc/88/22/58/948882258.db2.gz LAARJQJLOZNWSX-JTQLQIEISA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@]1(C)CCOC1 ZINC001574684675 948884091 /nfs/dbraw/zinc/88/40/91/948884091.db2.gz KOAYXEUPAMEJEP-XLKFXECMSA-N -1 1 385.881 1.710 20 0 GDADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)C1=CCOCC1 ZINC001574685002 948899636 /nfs/dbraw/zinc/89/96/36/948899636.db2.gz QSLUGFTXDZTHLT-MRVPVSSYSA-N -1 1 383.865 1.630 20 0 GDADMM CC(C)(C(=O)N1CC[C@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1)C(F)F ZINC001573765242 948901219 /nfs/dbraw/zinc/90/12/19/948901219.db2.gz XLJWKCCAUUOITP-KRWDZBQOSA-N -1 1 392.414 1.377 20 0 GDADMM CC(C)(C(=O)N1CC[C@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1)C(F)F ZINC001573765242 948901230 /nfs/dbraw/zinc/90/12/30/948901230.db2.gz XLJWKCCAUUOITP-KRWDZBQOSA-N -1 1 392.414 1.377 20 0 GDADMM CC(C)(C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cncc(-c2nnn[n-]2)n1)C(F)F ZINC001573765333 948904710 /nfs/dbraw/zinc/90/47/10/948904710.db2.gz YTWANZYUIPJBLN-NEPJUHHUSA-N -1 1 392.414 1.518 20 0 GDADMM CC(C)(C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cncc(-c2nn[n-]n2)n1)C(F)F ZINC001573765333 948904717 /nfs/dbraw/zinc/90/47/17/948904717.db2.gz YTWANZYUIPJBLN-NEPJUHHUSA-N -1 1 392.414 1.518 20 0 GDADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)c1cccnn1 ZINC001574685681 948913351 /nfs/dbraw/zinc/91/33/51/948913351.db2.gz ZAYOKSPQOARGCF-ZETCQYMHSA-N -1 1 379.837 1.387 20 0 GDADMM CC(F)(F)CCC(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@]2(C)C1 ZINC001575235200 948914476 /nfs/dbraw/zinc/91/44/76/948914476.db2.gz KSLWGCPMRGSYON-BZNIZROVSA-N -1 1 392.414 1.377 20 0 GDADMM CC(F)(F)CCC(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@]2(C)C1 ZINC001575235200 948914483 /nfs/dbraw/zinc/91/44/83/948914483.db2.gz KSLWGCPMRGSYON-BZNIZROVSA-N -1 1 392.414 1.377 20 0 GDADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)NC1(C)CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574088182 948915103 /nfs/dbraw/zinc/91/51/03/948915103.db2.gz DDQYQJYXRGOADV-BFUOFWGJSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)NC1(C)CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574088182 948915107 /nfs/dbraw/zinc/91/51/07/948915107.db2.gz DDQYQJYXRGOADV-BFUOFWGJSA-N -1 1 384.488 1.814 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@@H]2[C@H](CCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575235222 948916862 /nfs/dbraw/zinc/91/68/62/948916862.db2.gz LTAXLGQCVWBOPS-DGCLKSJQSA-N -1 1 392.414 1.519 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@@H]2[C@H](CCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575235222 948916882 /nfs/dbraw/zinc/91/68/82/948916882.db2.gz LTAXLGQCVWBOPS-DGCLKSJQSA-N -1 1 392.414 1.519 20 0 GDADMM CC(C)(C(=O)N1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1)C(F)F ZINC001573765683 948920620 /nfs/dbraw/zinc/92/06/20/948920620.db2.gz XGJPGQXYHXPNHZ-UHFFFAOYSA-N -1 1 391.835 1.917 20 0 GDADMM CC(C)(C(=O)N1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1)C(F)F ZINC001573765683 948920632 /nfs/dbraw/zinc/92/06/32/948920632.db2.gz XGJPGQXYHXPNHZ-UHFFFAOYSA-N -1 1 391.835 1.917 20 0 GDADMM CC(C)c1ncc(C(=O)N(C)CCN(C)c2nccnc2-c2nnn[n-]2)s1 ZINC001574428019 948922466 /nfs/dbraw/zinc/92/24/66/948922466.db2.gz XWWRVVPOSWGQAF-UHFFFAOYSA-N -1 1 387.473 1.445 20 0 GDADMM CC(C)c1ncc(C(=O)N(C)CCN(C)c2nccnc2-c2nn[n-]n2)s1 ZINC001574428019 948922482 /nfs/dbraw/zinc/92/24/82/948922482.db2.gz XWWRVVPOSWGQAF-UHFFFAOYSA-N -1 1 387.473 1.445 20 0 GDADMM CC(F)(F)CCC(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001575235569 948922803 /nfs/dbraw/zinc/92/28/03/948922803.db2.gz PDSWIEURFWFUKL-LLVKDONJSA-N -1 1 380.403 1.885 20 0 GDADMM CC(F)(F)CCC(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001575235569 948922814 /nfs/dbraw/zinc/92/28/14/948922814.db2.gz PDSWIEURFWFUKL-LLVKDONJSA-N -1 1 380.403 1.885 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1)C1CC1 ZINC001573765812 948926992 /nfs/dbraw/zinc/92/69/92/948926992.db2.gz JGXOPEJJGDBPQJ-OLZOCXBDSA-N -1 1 382.472 1.378 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1)C1CC1 ZINC001573765812 948927000 /nfs/dbraw/zinc/92/70/00/948927000.db2.gz JGXOPEJJGDBPQJ-OLZOCXBDSA-N -1 1 382.472 1.378 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C ZINC001575235879 948929774 /nfs/dbraw/zinc/92/97/74/948929774.db2.gz YZWIEIAMJPDJID-LLVKDONJSA-N -1 1 380.403 1.423 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C ZINC001575235879 948929782 /nfs/dbraw/zinc/92/97/82/948929782.db2.gz YZWIEIAMJPDJID-LLVKDONJSA-N -1 1 380.403 1.423 20 0 GDADMM CC(F)(F)CC(=O)N[C@]12CCC[C@H]1CN(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001575236048 948932645 /nfs/dbraw/zinc/93/26/45/948932645.db2.gz TXTPVYMYIILUOV-QFYYESIMSA-N -1 1 378.387 1.177 20 0 GDADMM CC(F)(F)CC(=O)N[C@]12CCC[C@H]1CN(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001575236048 948932653 /nfs/dbraw/zinc/93/26/53/948932653.db2.gz TXTPVYMYIILUOV-QFYYESIMSA-N -1 1 378.387 1.177 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C(F)F ZINC001573771052 948934242 /nfs/dbraw/zinc/93/42/42/948934242.db2.gz AJKCDXSVCWFSJZ-VHSXEESVSA-N -1 1 380.403 1.067 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001574432699 948937986 /nfs/dbraw/zinc/93/79/86/948937986.db2.gz ARGJKQXWWHGOFR-JTQLQIEISA-N -1 1 385.457 1.245 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001574432699 948937998 /nfs/dbraw/zinc/93/79/98/948937998.db2.gz ARGJKQXWWHGOFR-JTQLQIEISA-N -1 1 385.457 1.245 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001573771303 948940251 /nfs/dbraw/zinc/94/02/51/948940251.db2.gz FNOVWZWASAXTJB-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001573771303 948940260 /nfs/dbraw/zinc/94/02/60/948940260.db2.gz FNOVWZWASAXTJB-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](CNC(=O)CCn1cnc2ccccc21)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574923259 948941693 /nfs/dbraw/zinc/94/16/93/948941693.db2.gz INXRAISNZTZLCA-GFCCVEGCSA-N -1 1 392.427 1.013 20 0 GDADMM C[C@H](CNC(=O)CCn1cnc2ccccc21)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574923259 948941707 /nfs/dbraw/zinc/94/17/07/948941707.db2.gz INXRAISNZTZLCA-GFCCVEGCSA-N -1 1 392.427 1.013 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C12CCC2)C(F)F ZINC001573771455 948941945 /nfs/dbraw/zinc/94/19/45/948941945.db2.gz HVEVXWXOTWPCQW-QWRGUYRKSA-N -1 1 392.414 1.787 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C12CCC2)C(F)F ZINC001573771455 948941959 /nfs/dbraw/zinc/94/19/59/948941959.db2.gz HVEVXWXOTWPCQW-QWRGUYRKSA-N -1 1 392.414 1.787 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C(F)F ZINC001573771668 948943454 /nfs/dbraw/zinc/94/34/54/948943454.db2.gz KKUYQJFATGAQCA-UWVGGRQHSA-N -1 1 380.403 1.787 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C(F)F ZINC001573771668 948943464 /nfs/dbraw/zinc/94/34/64/948943464.db2.gz KKUYQJFATGAQCA-UWVGGRQHSA-N -1 1 380.403 1.787 20 0 GDADMM CC(C)[C@@H]1C[C@H](C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CCO1 ZINC001574089184 948949698 /nfs/dbraw/zinc/94/96/98/948949698.db2.gz DJYMSAIQWANZRJ-BHPKHCPMSA-N -1 1 386.460 1.167 20 0 GDADMM CC(C)[C@@H]1C[C@H](C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CCO1 ZINC001574089184 948949706 /nfs/dbraw/zinc/94/97/06/948949706.db2.gz DJYMSAIQWANZRJ-BHPKHCPMSA-N -1 1 386.460 1.167 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C12CCC2 ZINC001575237911 948952656 /nfs/dbraw/zinc/95/26/56/948952656.db2.gz IXSOXQXMMABDQS-VXGBXAGGSA-N -1 1 392.414 1.931 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C12CCC2 ZINC001575237911 948952664 /nfs/dbraw/zinc/95/26/64/948952664.db2.gz IXSOXQXMMABDQS-VXGBXAGGSA-N -1 1 392.414 1.931 20 0 GDADMM CC(C)c1ncsc1C(=O)NC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574433405 948956853 /nfs/dbraw/zinc/95/68/53/948956853.db2.gz LPZIWCKCXDZFFF-SNVBAGLBSA-N -1 1 387.473 1.491 20 0 GDADMM CC(C)c1ncsc1C(=O)NC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574433405 948956862 /nfs/dbraw/zinc/95/68/62/948956862.db2.gz LPZIWCKCXDZFFF-SNVBAGLBSA-N -1 1 387.473 1.491 20 0 GDADMM CC(C)(C(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)c1ccccc1 ZINC001573772570 948960957 /nfs/dbraw/zinc/96/09/57/948960957.db2.gz VBZMVCCVTOXOGG-HNNXBMFYSA-N -1 1 392.467 1.941 20 0 GDADMM CC(C)(C(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)c1ccccc1 ZINC001573772570 948960966 /nfs/dbraw/zinc/96/09/66/948960966.db2.gz VBZMVCCVTOXOGG-HNNXBMFYSA-N -1 1 392.467 1.941 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C(F)F ZINC001573772602 948964925 /nfs/dbraw/zinc/96/49/25/948964925.db2.gz VWMSEZJQPWOEMT-UWVGGRQHSA-N -1 1 380.403 1.209 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1Cc2ccc(F)cc21 ZINC001574688841 948974611 /nfs/dbraw/zinc/97/46/11/948974611.db2.gz AHAISBMGPNIEOS-HZMBPMFUSA-N -1 1 382.403 1.442 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1Cc2ccc(F)cc21 ZINC001574688841 948974623 /nfs/dbraw/zinc/97/46/23/948974623.db2.gz AHAISBMGPNIEOS-HZMBPMFUSA-N -1 1 382.403 1.442 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001574688843 948974916 /nfs/dbraw/zinc/97/49/16/948974916.db2.gz AHAISBMGPNIEOS-QMTHXVAHSA-N -1 1 382.403 1.442 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001574688843 948974926 /nfs/dbraw/zinc/97/49/26/948974926.db2.gz AHAISBMGPNIEOS-QMTHXVAHSA-N -1 1 382.403 1.442 20 0 GDADMM CC(F)(F)c1cccc(NC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)c1 ZINC001575242634 948989131 /nfs/dbraw/zinc/98/91/31/948989131.db2.gz JIQYXHYNIQSEAA-UHFFFAOYSA-N -1 1 391.338 1.270 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)CC1(C(F)(F)F)CC1 ZINC001574690253 948997679 /nfs/dbraw/zinc/99/76/79/948997679.db2.gz NVQLFVNKLLDCEP-SECBINFHSA-N -1 1 384.366 1.696 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)CC1(C(F)(F)F)CC1 ZINC001574690253 948997693 /nfs/dbraw/zinc/99/76/93/948997693.db2.gz NVQLFVNKLLDCEP-SECBINFHSA-N -1 1 384.366 1.696 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CCc2cccnc21 ZINC001574691043 949012577 /nfs/dbraw/zinc/01/25/77/949012577.db2.gz SKLXEKOVSWDHGU-DGCLKSJQSA-N -1 1 379.428 1.088 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CCc2cccnc21 ZINC001574691043 949012594 /nfs/dbraw/zinc/01/25/94/949012594.db2.gz SKLXEKOVSWDHGU-DGCLKSJQSA-N -1 1 379.428 1.088 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@@H]1CCCC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574440656 949035420 /nfs/dbraw/zinc/03/54/20/949035420.db2.gz BCCKIRQJTHMIKB-CHWSQXEVSA-N -1 1 397.443 1.921 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@@H]1CCCC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574440656 949035425 /nfs/dbraw/zinc/03/54/25/949035425.db2.gz BCCKIRQJTHMIKB-CHWSQXEVSA-N -1 1 397.443 1.921 20 0 GDADMM CC(C)(C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCCC1)C(F)F ZINC001573778957 949049640 /nfs/dbraw/zinc/04/96/40/949049640.db2.gz AQTPBBMDGBRBSQ-UHFFFAOYSA-N -1 1 380.403 1.789 20 0 GDADMM CC(C)(C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCCC1)C(F)F ZINC001573778957 949049659 /nfs/dbraw/zinc/04/96/59/949049659.db2.gz AQTPBBMDGBRBSQ-UHFFFAOYSA-N -1 1 380.403 1.789 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccnc(C2CC2)c1 ZINC001574693187 949051274 /nfs/dbraw/zinc/05/12/74/949051274.db2.gz BSQRBWGDPYGLSY-NSHDSACASA-N -1 1 379.428 1.550 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccnc(C2CC2)c1 ZINC001574693187 949051293 /nfs/dbraw/zinc/05/12/93/949051293.db2.gz BSQRBWGDPYGLSY-NSHDSACASA-N -1 1 379.428 1.550 20 0 GDADMM CC(C)c1occc1C(=O)N(C)CCCN(C)c1nccnc1-c1nnn[n-]1 ZINC001574441494 949061287 /nfs/dbraw/zinc/06/12/87/949061287.db2.gz MONJKTLUAQKDOZ-UHFFFAOYSA-N -1 1 384.444 1.972 20 0 GDADMM CC(C)c1occc1C(=O)N(C)CCCN(C)c1nccnc1-c1nn[n-]n1 ZINC001574441494 949061305 /nfs/dbraw/zinc/06/13/05/949061305.db2.gz MONJKTLUAQKDOZ-UHFFFAOYSA-N -1 1 384.444 1.972 20 0 GDADMM CC(C)c1occc1C(=O)N(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574441766 949075247 /nfs/dbraw/zinc/07/52/47/949075247.db2.gz WLSCNWCCLPMUIK-LBPRGKRZSA-N -1 1 382.428 1.724 20 0 GDADMM CC(C)c1occc1C(=O)N(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574441766 949075266 /nfs/dbraw/zinc/07/52/66/949075266.db2.gz WLSCNWCCLPMUIK-LBPRGKRZSA-N -1 1 382.428 1.724 20 0 GDADMM CC(C)[C@@H]1C[C@@H](C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)CCO1 ZINC001574092696 949075410 /nfs/dbraw/zinc/07/54/10/949075410.db2.gz PPWZXYCBKATSSZ-WFASDCNBSA-N -1 1 390.513 1.680 20 0 GDADMM C[C@@H](NC(=O)C1(C(F)F)CC1)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575249049 949087195 /nfs/dbraw/zinc/08/71/95/949087195.db2.gz AWYFSOUNVPPTEO-MNOVXSKESA-N -1 1 392.414 1.423 20 0 GDADMM C[C@@H](NC(=O)C1(C(F)F)CC1)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575249049 949087216 /nfs/dbraw/zinc/08/72/16/949087216.db2.gz AWYFSOUNVPPTEO-MNOVXSKESA-N -1 1 392.414 1.423 20 0 GDADMM CC[C@]1(C(=O)[O-])CCCN(C(=O)Cc2c(C)nc(-c3ncccn3)[nH]c2=O)C1 ZINC001589591453 949089072 /nfs/dbraw/zinc/08/90/72/949089072.db2.gz GGTPFJSQKKRFMK-IBGZPJMESA-N -1 1 385.424 1.594 20 0 GDADMM CC(C)c1nocc1C(=O)N1CC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001574442048 949089608 /nfs/dbraw/zinc/08/96/08/949089608.db2.gz KHVFGYSPNBKBTO-NSHDSACASA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1nocc1C(=O)N1CC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001574442048 949089632 /nfs/dbraw/zinc/08/96/32/949089632.db2.gz KHVFGYSPNBKBTO-NSHDSACASA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1nocc1C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCC1 ZINC001574442700 949101606 /nfs/dbraw/zinc/10/16/06/949101606.db2.gz QWCMSMWGKNLVNC-UHFFFAOYSA-N -1 1 383.416 1.533 20 0 GDADMM CC(C)c1nocc1C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCC1 ZINC001574442700 949101617 /nfs/dbraw/zinc/10/16/17/949101617.db2.gz QWCMSMWGKNLVNC-UHFFFAOYSA-N -1 1 383.416 1.533 20 0 GDADMM CC(C)c1nocc1C(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574443079 949105702 /nfs/dbraw/zinc/10/57/02/949105702.db2.gz UYGMIBXKZPQONI-NSHDSACASA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1nocc1C(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574443079 949105712 /nfs/dbraw/zinc/10/57/12/949105712.db2.gz UYGMIBXKZPQONI-NSHDSACASA-N -1 1 383.416 1.485 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)Cc1ccc(Cl)s1 ZINC001574695349 949106592 /nfs/dbraw/zinc/10/65/92/949106592.db2.gz GBMXWJWEPUASLC-VIFPVBQESA-N -1 1 392.876 1.921 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)Cc1ccc(Cl)s1 ZINC001574695349 949106609 /nfs/dbraw/zinc/10/66/09/949106609.db2.gz GBMXWJWEPUASLC-VIFPVBQESA-N -1 1 392.876 1.921 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)Cc1ccccc1Cl ZINC001574695394 949112349 /nfs/dbraw/zinc/11/23/49/949112349.db2.gz GXWGTFHEDBFWNK-LLVKDONJSA-N -1 1 386.847 1.860 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)Cc1ccccc1Cl ZINC001574695394 949112361 /nfs/dbraw/zinc/11/23/61/949112361.db2.gz GXWGTFHEDBFWNK-LLVKDONJSA-N -1 1 386.847 1.860 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)COc1ccccc1F ZINC001574695615 949114704 /nfs/dbraw/zinc/11/47/04/949114704.db2.gz JFSWHZSIMYJZBL-LLVKDONJSA-N -1 1 386.391 1.182 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)COc1ccccc1F ZINC001574695615 949114727 /nfs/dbraw/zinc/11/47/27/949114727.db2.gz JFSWHZSIMYJZBL-LLVKDONJSA-N -1 1 386.391 1.182 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1csc(C2CC2)n1 ZINC001574695604 949117627 /nfs/dbraw/zinc/11/76/27/949117627.db2.gz IVBXZRXTELHJIC-VIFPVBQESA-N -1 1 385.457 1.611 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1csc(C2CC2)n1 ZINC001574695604 949117638 /nfs/dbraw/zinc/11/76/38/949117638.db2.gz IVBXZRXTELHJIC-VIFPVBQESA-N -1 1 385.457 1.611 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)c1ccccc1)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575251465 949141408 /nfs/dbraw/zinc/14/14/08/949141408.db2.gz NMAQBNLYAATFGZ-QWHCGFSZSA-N -1 1 380.456 1.362 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001574696857 949141768 /nfs/dbraw/zinc/14/17/68/949141768.db2.gz VXXBRXJZWQQNJR-WCFLWFBJSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001574696857 949141779 /nfs/dbraw/zinc/14/17/79/949141779.db2.gz VXXBRXJZWQQNJR-WCFLWFBJSA-N -1 1 384.469 1.829 20 0 GDADMM CC(C)c1ocnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1 ZINC001574446932 949145903 /nfs/dbraw/zinc/14/59/03/949145903.db2.gz BNZMZFKXQBKDQJ-WZRBSPASSA-N -1 1 395.427 1.308 20 0 GDADMM CC(C)c1ocnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1 ZINC001574446932 949145916 /nfs/dbraw/zinc/14/59/16/949145916.db2.gz BNZMZFKXQBKDQJ-WZRBSPASSA-N -1 1 395.427 1.308 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001574447600 949165105 /nfs/dbraw/zinc/16/51/05/949165105.db2.gz UHPGPMXLPPPWLD-NSHDSACASA-N -1 1 385.432 1.057 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574447709 949169878 /nfs/dbraw/zinc/16/98/78/949169878.db2.gz YGKBECVXDHOFIV-NSHDSACASA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574447709 949169886 /nfs/dbraw/zinc/16/98/86/949169886.db2.gz YGKBECVXDHOFIV-NSHDSACASA-N -1 1 383.416 1.485 20 0 GDADMM C[C@@H](C(=O)N(C)C[C@H](C)Nc1cncc(-c2nnn[n-]2)n1)c1cccc(F)c1 ZINC001574698046 949170104 /nfs/dbraw/zinc/17/01/04/949170104.db2.gz FOEUYBJGMFCMLT-NWDGAFQWSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@@H](C(=O)N(C)C[C@H](C)Nc1cncc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001574698046 949170124 /nfs/dbraw/zinc/17/01/24/949170124.db2.gz FOEUYBJGMFCMLT-NWDGAFQWSA-N -1 1 384.419 1.858 20 0 GDADMM CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)c1ccccc1 ZINC001573787561 949183142 /nfs/dbraw/zinc/18/31/42/949183142.db2.gz WNLLFKJRBSCZCS-FOLVSLTJSA-N -1 1 390.451 1.185 20 0 GDADMM CC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001575853581 949215577 /nfs/dbraw/zinc/21/55/77/949215577.db2.gz UCRLNJHGTIWWQR-BZPMIXESSA-N -1 1 384.444 1.017 20 0 GDADMM CC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001575853581 949215595 /nfs/dbraw/zinc/21/55/95/949215595.db2.gz UCRLNJHGTIWWQR-BZPMIXESSA-N -1 1 384.444 1.017 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@H](C)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574451239 949220024 /nfs/dbraw/zinc/22/00/24/949220024.db2.gz HZHUYVKYAAIUJN-NXEZZACHSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@H](C)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574451239 949220045 /nfs/dbraw/zinc/22/00/45/949220045.db2.gz HZHUYVKYAAIUJN-NXEZZACHSA-N -1 1 387.473 1.856 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(Cl)cc1)CNc1nccnc1-c1nnn[n-]1 ZINC001574937275 949226618 /nfs/dbraw/zinc/22/66/18/949226618.db2.gz NQUKJNAASDZGMG-NSHDSACASA-N -1 1 386.847 1.717 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(Cl)cc1)CNc1nccnc1-c1nn[n-]n1 ZINC001574937275 949226638 /nfs/dbraw/zinc/22/66/38/949226638.db2.gz NQUKJNAASDZGMG-NSHDSACASA-N -1 1 386.847 1.717 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001574451519 949232771 /nfs/dbraw/zinc/23/27/71/949232771.db2.gz QQLIVHAKIIWMOS-JTQLQIEISA-N -1 1 385.457 1.245 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001574451519 949232790 /nfs/dbraw/zinc/23/27/90/949232790.db2.gz QQLIVHAKIIWMOS-JTQLQIEISA-N -1 1 385.457 1.245 20 0 GDADMM CC(C)CC(=O)N1CCC([C@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574103378 949241694 /nfs/dbraw/zinc/24/16/94/949241694.db2.gz RHARDIBBURKGPT-MRXNPFEDSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CC(=O)N1CCC([C@H]2CCCN2c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574103378 949241708 /nfs/dbraw/zinc/24/17/08/949241708.db2.gz RHARDIBBURKGPT-MRXNPFEDSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCC[C@@]1(C)C(=O)NCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576152046 949243876 /nfs/dbraw/zinc/24/38/76/949243876.db2.gz IDYQDEIJKBGAGB-BFUOFWGJSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H]1CCC[C@@]1(C)C(=O)NCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576152046 949243897 /nfs/dbraw/zinc/24/38/97/949243897.db2.gz IDYQDEIJKBGAGB-BFUOFWGJSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(Cl)c(F)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001574938516 949245812 /nfs/dbraw/zinc/24/58/12/949245812.db2.gz XKRNCPIREBMMJY-VIFPVBQESA-N -1 1 390.810 1.609 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(Cl)c(F)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001574938516 949245824 /nfs/dbraw/zinc/24/58/24/949245824.db2.gz XKRNCPIREBMMJY-VIFPVBQESA-N -1 1 390.810 1.609 20 0 GDADMM C[C@@H]1CCC[C@]1(C)C(=O)N(C)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001576152349 949250595 /nfs/dbraw/zinc/25/05/95/949250595.db2.gz IPWLRNWMPVQDJV-YJYMSZOUSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCC[C@]1(C)C(=O)N(C)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001576152349 949250622 /nfs/dbraw/zinc/25/06/22/949250622.db2.gz IPWLRNWMPVQDJV-YJYMSZOUSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(Cl)c1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574940568 949267629 /nfs/dbraw/zinc/26/76/29/949267629.db2.gz HDJJCHYSUCUWBR-NSHDSACASA-N -1 1 386.847 1.717 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(Cl)c1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574940568 949267646 /nfs/dbraw/zinc/26/76/46/949267646.db2.gz HDJJCHYSUCUWBR-NSHDSACASA-N -1 1 386.847 1.717 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(C2CC2)c1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574940630 949270615 /nfs/dbraw/zinc/27/06/15/949270615.db2.gz HSEVSTYMUBZYKH-CYBMUJFWSA-N -1 1 392.467 1.941 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(C2CC2)c1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574940630 949270626 /nfs/dbraw/zinc/27/06/26/949270626.db2.gz HSEVSTYMUBZYKH-CYBMUJFWSA-N -1 1 392.467 1.941 20 0 GDADMM CC1=C(C)C[C@@H](C(=O)NC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)C)CC1 ZINC001575860078 949286012 /nfs/dbraw/zinc/28/60/12/949286012.db2.gz CHAVFWWLBKNSGS-LSDHHAIUSA-N -1 1 384.488 1.768 20 0 GDADMM CC1=C(C)C[C@@](C)(C(=O)N(C)[C@@H](C)CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575860201 949292161 /nfs/dbraw/zinc/29/21/61/949292161.db2.gz DFZOKJOKJXKEDS-LIRRHRJNSA-N -1 1 384.488 1.864 20 0 GDADMM C[C@@H]1CCC[C@@]1(C)C(=O)N1CCC(N(C)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576154228 949322170 /nfs/dbraw/zinc/32/21/70/949322170.db2.gz OGOJMZWYJAKWGC-BFUOFWGJSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccco1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574942086 949330569 /nfs/dbraw/zinc/33/05/69/949330569.db2.gz VMDCGKAFHBQPDV-QMMMGPOBSA-N -1 1 381.849 1.753 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccco1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574942086 949330593 /nfs/dbraw/zinc/33/05/93/949330593.db2.gz VMDCGKAFHBQPDV-QMMMGPOBSA-N -1 1 381.849 1.753 20 0 GDADMM CC1=C(C)C[C@@H](C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001575862138 949340625 /nfs/dbraw/zinc/34/06/25/949340625.db2.gz XWXVDNCSCRNJIJ-GJZGRUSLSA-N -1 1 382.472 1.878 20 0 GDADMM CC1=C(C)C[C@@H](C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001575862138 949340643 /nfs/dbraw/zinc/34/06/43/949340643.db2.gz XWXVDNCSCRNJIJ-GJZGRUSLSA-N -1 1 382.472 1.878 20 0 GDADMM C[C@@H](CN(C)C(=O)C1=COCCO1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574703626 949340996 /nfs/dbraw/zinc/34/09/96/949340996.db2.gz DUWXHRWDLMJUST-ZETCQYMHSA-N -1 1 385.837 1.124 20 0 GDADMM C[C@@H](CN(C)C(=O)C1=COCCO1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574703626 949341017 /nfs/dbraw/zinc/34/10/17/949341017.db2.gz DUWXHRWDLMJUST-ZETCQYMHSA-N -1 1 385.837 1.124 20 0 GDADMM CC(C)n1ccc(C(=O)NC[C@H]2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)n1 ZINC001574458616 949342079 /nfs/dbraw/zinc/34/20/79/949342079.db2.gz UNBWTPBBSRVMJF-TXEJJXNPSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1ccc(C(=O)NC[C@H]2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)n1 ZINC001574458616 949342098 /nfs/dbraw/zinc/34/20/98/949342098.db2.gz UNBWTPBBSRVMJF-TXEJJXNPSA-N -1 1 382.432 1.055 20 0 GDADMM CC1(C)CN(C(=O)[C@@]2(C)CCCOC2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575527914 949382527 /nfs/dbraw/zinc/38/25/27/949382527.db2.gz JQEZKQCMAAFCAG-ACJLOTCBSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CN(C(=O)[C@@]2(C)CCCOC2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575527914 949382551 /nfs/dbraw/zinc/38/25/51/949382551.db2.gz JQEZKQCMAAFCAG-ACJLOTCBSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C(=O)N2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2c2nccnc2-c2nnn[n-]2)CC1 ZINC001575527977 949387406 /nfs/dbraw/zinc/38/74/06/949387406.db2.gz KMWYKLFCJJMJLL-FQUUOJAGSA-N -1 1 380.456 1.130 20 0 GDADMM CC1(C(=O)N2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2c2nccnc2-c2nn[n-]n2)CC1 ZINC001575527977 949387424 /nfs/dbraw/zinc/38/74/24/949387424.db2.gz KMWYKLFCJJMJLL-FQUUOJAGSA-N -1 1 380.456 1.130 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cc[nH]c1 ZINC001576155303 949392776 /nfs/dbraw/zinc/39/27/76/949392776.db2.gz HVSFSWIIUYKZBD-KZULUSFZSA-N -1 1 381.444 1.776 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cc[nH]c1 ZINC001576155303 949392800 /nfs/dbraw/zinc/39/28/00/949392800.db2.gz HVSFSWIIUYKZBD-KZULUSFZSA-N -1 1 381.444 1.776 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cc[nH]c1 ZINC001576155300 949395778 /nfs/dbraw/zinc/39/57/78/949395778.db2.gz HTWRHFFOIZCOKW-SGTLLEGYSA-N -1 1 381.444 1.776 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cc[nH]c1 ZINC001576155300 949395799 /nfs/dbraw/zinc/39/57/99/949395799.db2.gz HTWRHFFOIZCOKW-SGTLLEGYSA-N -1 1 381.444 1.776 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001574464238 949401613 /nfs/dbraw/zinc/40/16/13/949401613.db2.gz HAUULPVZYGJDRY-TZMCWYRMSA-N -1 1 381.444 1.294 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001574464238 949401634 /nfs/dbraw/zinc/40/16/34/949401634.db2.gz HAUULPVZYGJDRY-TZMCWYRMSA-N -1 1 381.444 1.294 20 0 GDADMM CC(C)n1cccc1C(=O)N1CC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574464547 949415121 /nfs/dbraw/zinc/41/51/21/949415121.db2.gz LJHSHICOJHZOSR-ZDUSSCGKSA-N -1 1 381.444 1.390 20 0 GDADMM CC(C)n1cccc1C(=O)N1CC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574464547 949415139 /nfs/dbraw/zinc/41/51/39/949415139.db2.gz LJHSHICOJHZOSR-ZDUSSCGKSA-N -1 1 381.444 1.390 20 0 GDADMM C[C@H](NC(=O)C1CCCCC1)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575264340 949424800 /nfs/dbraw/zinc/42/48/00/949424800.db2.gz NSPVSJAEOUATBA-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](NC(=O)C1CCCCC1)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575264340 949424812 /nfs/dbraw/zinc/42/48/12/949424812.db2.gz NSPVSJAEOUATBA-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C(=O)N2CCC(CCNc3ccnc(-c4nn[n-]n4)n3)CC2)CCCC1 ZINC001575534097 949425274 /nfs/dbraw/zinc/42/52/74/949425274.db2.gz JMUUTQYPJXRFIR-UHFFFAOYSA-N -1 1 384.488 1.700 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2(C(F)F)CCC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575867378 949434255 /nfs/dbraw/zinc/43/42/55/949434255.db2.gz JLPQNHATWSQFGC-WDEREUQCSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2(C(F)F)CCC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575867378 949434266 /nfs/dbraw/zinc/43/42/66/949434266.db2.gz JLPQNHATWSQFGC-WDEREUQCSA-N -1 1 392.414 1.566 20 0 GDADMM CC(C)n1cccc1C(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001574465198 949434364 /nfs/dbraw/zinc/43/43/64/949434364.db2.gz SGPVDADUSOGOLE-UHFFFAOYSA-N -1 1 381.444 1.438 20 0 GDADMM CC(C)n1cccc1C(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001574465198 949434385 /nfs/dbraw/zinc/43/43/85/949434385.db2.gz SGPVDADUSOGOLE-UHFFFAOYSA-N -1 1 381.444 1.438 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2(C)CC(F)(F)C2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575867276 949434492 /nfs/dbraw/zinc/43/44/92/949434492.db2.gz IVKJMXKTBZUASX-WDEREUQCSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2(C)CC(F)(F)C2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575867276 949434501 /nfs/dbraw/zinc/43/45/01/949434501.db2.gz IVKJMXKTBZUASX-WDEREUQCSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@@H]1CCC[C@H](C(=O)N2C[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]3C2)C1 ZINC001576156286 949437028 /nfs/dbraw/zinc/43/70/28/949437028.db2.gz VRLZLMPRAJGOPT-BARDWOONSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H]1CCC[C@H](C(=O)N2C[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]3C2)C1 ZINC001576156286 949437041 /nfs/dbraw/zinc/43/70/41/949437041.db2.gz VRLZLMPRAJGOPT-BARDWOONSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1ccon1 ZINC001576156321 949439183 /nfs/dbraw/zinc/43/91/83/949439183.db2.gz MLOUMDPJCMVQIV-PIGZYNQJSA-N -1 1 383.416 1.436 20 0 GDADMM CC(C)n1cccc1C(=O)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001574465612 949439164 /nfs/dbraw/zinc/43/91/64/949439164.db2.gz SMADBUFGYLIYIE-ZDUSSCGKSA-N -1 1 381.444 1.613 20 0 GDADMM CC(C)n1cccc1C(=O)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001574465612 949439180 /nfs/dbraw/zinc/43/91/80/949439180.db2.gz SMADBUFGYLIYIE-ZDUSSCGKSA-N -1 1 381.444 1.613 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ccon1 ZINC001576156321 949439197 /nfs/dbraw/zinc/43/91/97/949439197.db2.gz MLOUMDPJCMVQIV-PIGZYNQJSA-N -1 1 383.416 1.436 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C ZINC001574465720 949442290 /nfs/dbraw/zinc/44/22/90/949442290.db2.gz XGLAQPQXEIBBJJ-OLZOCXBDSA-N -1 1 381.444 1.436 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C ZINC001574465720 949442305 /nfs/dbraw/zinc/44/23/05/949442305.db2.gz XGLAQPQXEIBBJJ-OLZOCXBDSA-N -1 1 381.444 1.436 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574465652 949444560 /nfs/dbraw/zinc/44/45/60/949444560.db2.gz URYNXOWSUNTQGD-ZDUSSCGKSA-N -1 1 381.444 1.295 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574465652 949444578 /nfs/dbraw/zinc/44/45/78/949444578.db2.gz URYNXOWSUNTQGD-ZDUSSCGKSA-N -1 1 381.444 1.295 20 0 GDADMM C[C@@H]1CCC[C@@H](OCC(=O)N(C)CCN(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001576156479 949445031 /nfs/dbraw/zinc/44/50/31/949445031.db2.gz YQIVDJCJQIDICW-ZIAGYGMSSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@@H]1CCC[C@@H](OCC(=O)N(C)CCN(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001576156479 949445049 /nfs/dbraw/zinc/44/50/49/949445049.db2.gz YQIVDJCJQIDICW-ZIAGYGMSSA-N -1 1 388.476 1.147 20 0 GDADMM CC(C)(C)C(=O)NC[C@H]1COCCN1c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573803605 949447785 /nfs/dbraw/zinc/44/77/85/949447785.db2.gz SMRQIPJRRNHUPV-QMMMGPOBSA-N -1 1 385.881 1.344 20 0 GDADMM CC(C)(C)C(=O)NC[C@H]1COCCN1c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573803605 949447796 /nfs/dbraw/zinc/44/77/96/949447796.db2.gz SMRQIPJRRNHUPV-QMMMGPOBSA-N -1 1 385.881 1.344 20 0 GDADMM C[C@@H](NC(=O)CC(F)(F)F)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575265275 949448509 /nfs/dbraw/zinc/44/85/09/949448509.db2.gz SZUXWJAYZQJDPN-NXEZZACHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](NC(=O)CC(F)(F)F)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575265275 949448524 /nfs/dbraw/zinc/44/85/24/949448524.db2.gz SZUXWJAYZQJDPN-NXEZZACHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](NC(=O)CC(C)(C)C(F)(F)F)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575265818 949456325 /nfs/dbraw/zinc/45/63/25/949456325.db2.gz VSDYIPNSVOMNHU-DTWKUNHWSA-N -1 1 386.382 1.940 20 0 GDADMM C[C@@H](NC(=O)CC(C)(C)C(F)(F)F)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575265818 949456363 /nfs/dbraw/zinc/45/63/63/949456363.db2.gz VSDYIPNSVOMNHU-DTWKUNHWSA-N -1 1 386.382 1.940 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCC(F)(F)C1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574708267 949487980 /nfs/dbraw/zinc/48/79/80/949487980.db2.gz VBEKZGAQUWGNKD-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCC(F)(F)C1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574708267 949487990 /nfs/dbraw/zinc/48/79/90/949487990.db2.gz VBEKZGAQUWGNKD-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccc[nH]1 ZINC001576158441 949495689 /nfs/dbraw/zinc/49/56/89/949495689.db2.gz SUHRRQCOSDMDJZ-KPZWWZAWSA-N -1 1 381.444 1.776 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccc[nH]1 ZINC001576158441 949495694 /nfs/dbraw/zinc/49/56/94/949495694.db2.gz SUHRRQCOSDMDJZ-KPZWWZAWSA-N -1 1 381.444 1.776 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1CCCOC1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574709563 949507303 /nfs/dbraw/zinc/50/73/03/949507303.db2.gz ZZADAGDGKVSFJB-RKDXNWHRSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1CCCOC1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574709563 949507323 /nfs/dbraw/zinc/50/73/23/949507323.db2.gz ZZADAGDGKVSFJB-RKDXNWHRSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@H]1CCC[C@H]1CC(=O)NCCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001576159048 949512523 /nfs/dbraw/zinc/51/25/23/949512523.db2.gz WBUNAUZGZSFCDA-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CC(=O)NC[C@H]1c2ccccc2CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001574122454 949527536 /nfs/dbraw/zinc/52/75/36/949527536.db2.gz WXBGURLNJZOZFH-INIZCTEOSA-N -1 1 392.467 1.923 20 0 GDADMM C[C@H](NC(=O)CC1(C(F)(F)F)CC1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575268794 949534730 /nfs/dbraw/zinc/53/47/30/949534730.db2.gz PGZBKDUTAFPKOP-IUCAKERBSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@H](NC(=O)CC1(C(F)(F)F)CC1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575268794 949534749 /nfs/dbraw/zinc/53/47/49/949534749.db2.gz PGZBKDUTAFPKOP-IUCAKERBSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C23CCC(CC2)C3)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575872639 949553344 /nfs/dbraw/zinc/55/33/44/949553344.db2.gz KKZKIPXTMGIHQI-QWHDWNGZSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C23CCC(CC2)C3)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575872639 949553362 /nfs/dbraw/zinc/55/33/62/949553362.db2.gz KKZKIPXTMGIHQI-QWHDWNGZSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@@H](CC(=O)N(C)C1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001574472960 949556885 /nfs/dbraw/zinc/55/68/85/949556885.db2.gz XBIGLMDDCRYYEU-IDKOKCKLSA-N -1 1 384.366 1.647 20 0 GDADMM C[C@@H](CC(=O)N(C)C1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001574472960 949556902 /nfs/dbraw/zinc/55/69/02/949556902.db2.gz XBIGLMDDCRYYEU-IDKOKCKLSA-N -1 1 384.366 1.647 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC2(C)CC2)[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576164582 949558616 /nfs/dbraw/zinc/55/86/16/949558616.db2.gz HOLZZHRTCSUMOR-KGLIPLIRSA-N -1 1 384.488 1.698 20 0 GDADMM C[C@H]1CCCN(C(=O)C2(CCF)CC2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576164894 949560032 /nfs/dbraw/zinc/56/00/32/949560032.db2.gz IEWVZEJNEDELPG-QWHCGFSZSA-N -1 1 388.451 1.257 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C=Cc2ccco2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575872877 949563192 /nfs/dbraw/zinc/56/31/92/949563192.db2.gz LUPDWOUOFQISLE-VQSVOGCMSA-N -1 1 380.412 1.437 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C=Cc2ccco2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575872877 949563207 /nfs/dbraw/zinc/56/32/07/949563207.db2.gz LUPDWOUOFQISLE-VQSVOGCMSA-N -1 1 380.412 1.437 20 0 GDADMM C[C@H]1CCCC[C@@H]1OCC(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001576166047 949573270 /nfs/dbraw/zinc/57/32/70/949573270.db2.gz KYSHMNLBXYPQGH-ZFWWWQNUSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@H]1CCCC[C@@H]1OCC(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001576166047 949573288 /nfs/dbraw/zinc/57/32/88/949573288.db2.gz KYSHMNLBXYPQGH-ZFWWWQNUSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@H]1CCCN(C(=O)CC(C)(C)O)[C@@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576166712 949587154 /nfs/dbraw/zinc/58/71/54/949587154.db2.gz NYSCZWMSOHYYLD-GXTWGEPZSA-N -1 1 388.476 1.247 20 0 GDADMM C[C@H]1CCCN(C(=O)CC(C)(C)O)[C@@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576166712 949587173 /nfs/dbraw/zinc/58/71/73/949587173.db2.gz NYSCZWMSOHYYLD-GXTWGEPZSA-N -1 1 388.476 1.247 20 0 GDADMM CC(C)CC(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001574125526 949589725 /nfs/dbraw/zinc/58/97/25/949589725.db2.gz RPAQTZMUNCEZCO-RDTXWAMCSA-N -1 1 378.440 1.897 20 0 GDADMM CC(C)CC(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001574125526 949589741 /nfs/dbraw/zinc/58/97/41/949589741.db2.gz RPAQTZMUNCEZCO-RDTXWAMCSA-N -1 1 378.440 1.897 20 0 GDADMM C[C@@H](NC(=O)CCCc1ccccc1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575270729 949600006 /nfs/dbraw/zinc/60/00/06/949600006.db2.gz FSSPMMXDUPDLKN-UONOGXRCSA-N -1 1 380.456 1.985 20 0 GDADMM C[C@@H](NC(=O)CCCc1ccccc1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575270729 949600034 /nfs/dbraw/zinc/60/00/34/949600034.db2.gz FSSPMMXDUPDLKN-UONOGXRCSA-N -1 1 380.456 1.985 20 0 GDADMM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nnn[n-]1)CC(C)(C)C ZINC001574476441 949602617 /nfs/dbraw/zinc/60/26/17/949602617.db2.gz HDVPVUJVAMPUHA-OLZOCXBDSA-N -1 1 390.492 1.350 20 0 GDADMM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nn[n-]n1)CC(C)(C)C ZINC001574476441 949602622 /nfs/dbraw/zinc/60/26/22/949602622.db2.gz HDVPVUJVAMPUHA-OLZOCXBDSA-N -1 1 390.492 1.350 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2C=CC=CC=C2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575874128 949604052 /nfs/dbraw/zinc/60/40/52/949604052.db2.gz RNGUPBCEBQZJIE-UKRRQHHQSA-N -1 1 378.440 1.429 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2C=CC=CC=C2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575874128 949604070 /nfs/dbraw/zinc/60/40/70/949604070.db2.gz RNGUPBCEBQZJIE-UKRRQHHQSA-N -1 1 378.440 1.429 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2(F)CCCC2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576167582 949613148 /nfs/dbraw/zinc/61/31/48/949613148.db2.gz QZCXTTYSWLIBJM-OCCSQVGLSA-N -1 1 388.451 1.978 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2(F)CCCC2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576167582 949613162 /nfs/dbraw/zinc/61/31/62/949613162.db2.gz QZCXTTYSWLIBJM-OCCSQVGLSA-N -1 1 388.451 1.978 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1COc2ccccc21)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574713841 949613832 /nfs/dbraw/zinc/61/38/32/949613832.db2.gz YJHGHWMYOVJUMV-AAEUAGOBSA-N -1 1 380.412 1.092 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1COc2ccccc21)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574713841 949613843 /nfs/dbraw/zinc/61/38/43/949613843.db2.gz YJHGHWMYOVJUMV-AAEUAGOBSA-N -1 1 380.412 1.092 20 0 GDADMM C[C@H](NC(=O)CCCC1CC1)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575271782 949627397 /nfs/dbraw/zinc/62/73/97/949627397.db2.gz MBNHRMAFVDJGEU-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](NC(=O)CCCC1CC1)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575271782 949627420 /nfs/dbraw/zinc/62/74/20/949627420.db2.gz MBNHRMAFVDJGEU-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@@H]1CCC(F)(F)C1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574714493 949628485 /nfs/dbraw/zinc/62/84/85/949628485.db2.gz DRFLLIBEQBOPKF-QWRGUYRKSA-N -1 1 380.403 1.163 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CCC(C)(F)F)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575876215 949640593 /nfs/dbraw/zinc/64/05/93/949640593.db2.gz XFOCOGBPXOBPKZ-QWRGUYRKSA-N -1 1 380.403 1.566 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CCC(C)(F)F)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575876215 949640605 /nfs/dbraw/zinc/64/06/05/949640605.db2.gz XFOCOGBPXOBPKZ-QWRGUYRKSA-N -1 1 380.403 1.566 20 0 GDADMM C[C@H](CNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574957994 949648048 /nfs/dbraw/zinc/64/80/48/949648048.db2.gz KOHOMAMBPBPQQC-TVZGQMOCSA-N -1 1 378.440 1.189 20 0 GDADMM C[C@H]1CCCC[C@H]1OCC(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576168817 949649205 /nfs/dbraw/zinc/64/92/05/949649205.db2.gz WDQWNJDHUURAAX-PWNZVWSESA-N -1 1 386.460 1.311 20 0 GDADMM C[C@H]1CCCC[C@H]1OCC(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576168817 949649215 /nfs/dbraw/zinc/64/92/15/949649215.db2.gz WDQWNJDHUURAAX-PWNZVWSESA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H](C)NC(=O)CCCc1ccccc1 ZINC001575272980 949655186 /nfs/dbraw/zinc/65/51/86/949655186.db2.gz TXXAUCFHZXAJDJ-UONOGXRCSA-N -1 1 380.456 1.985 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H](C)NC(=O)CCCc1ccccc1 ZINC001575272980 949655197 /nfs/dbraw/zinc/65/51/97/949655197.db2.gz TXXAUCFHZXAJDJ-UONOGXRCSA-N -1 1 380.456 1.985 20 0 GDADMM C[C@H]1CCCN(C(=O)Cc2ccco2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576169305 949670351 /nfs/dbraw/zinc/67/03/51/949670351.db2.gz GHZHQUPZNICROJ-WFASDCNBSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@H]1CCCN(C(=O)Cc2ccco2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576169305 949670365 /nfs/dbraw/zinc/67/03/65/949670365.db2.gz GHZHQUPZNICROJ-WFASDCNBSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@@H]1CCCC[C@@H]1CC(=O)N(CCO)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576169232 949670914 /nfs/dbraw/zinc/67/09/14/949670914.db2.gz IZXHQHMRMQFLTK-ZIAGYGMSSA-N -1 1 388.476 1.106 20 0 GDADMM C[C@@H]1CCCC[C@@H]1CC(=O)N(CCO)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576169232 949670926 /nfs/dbraw/zinc/67/09/26/949670926.db2.gz IZXHQHMRMQFLTK-ZIAGYGMSSA-N -1 1 388.476 1.106 20 0 GDADMM C[C@H]1[C@H](NC(=O)CCn2cccc2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575878152 949672822 /nfs/dbraw/zinc/67/28/22/949672822.db2.gz NODDPOGCJFTDFC-UONOGXRCSA-N -1 1 381.444 1.022 20 0 GDADMM C[C@H]1[C@H](NC(=O)CCn2cccc2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575878152 949672837 /nfs/dbraw/zinc/67/28/37/949672837.db2.gz NODDPOGCJFTDFC-UONOGXRCSA-N -1 1 381.444 1.022 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1ncccc1F ZINC001573816411 949679596 /nfs/dbraw/zinc/67/95/96/949679596.db2.gz SKXDMZIWOXYLKT-LBPRGKRZSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ncccc1F ZINC001573816411 949679610 /nfs/dbraw/zinc/67/96/10/949679610.db2.gz SKXDMZIWOXYLKT-LBPRGKRZSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C1CCC(O)CC1 ZINC001573816412 949680912 /nfs/dbraw/zinc/68/09/12/949680912.db2.gz SLRHRYXNIMZVCZ-ORHYLEIMSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C1CCC(O)CC1 ZINC001573816412 949680924 /nfs/dbraw/zinc/68/09/24/949680924.db2.gz SLRHRYXNIMZVCZ-ORHYLEIMSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@@](C)(O)C1CC1 ZINC001573816653 949685840 /nfs/dbraw/zinc/68/58/40/949685840.db2.gz TWDGUSSWVDRTCZ-FZKQIMNGSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@@](C)(O)C1CC1 ZINC001573816653 949685853 /nfs/dbraw/zinc/68/58/53/949685853.db2.gz TWDGUSSWVDRTCZ-FZKQIMNGSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C1C=CC=CC=C1 ZINC001573816672 949686430 /nfs/dbraw/zinc/68/64/30/949686430.db2.gz UKOAUHFEFSCMKQ-HNNXBMFYSA-N -1 1 380.456 1.898 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C1C=CC=CC=C1 ZINC001573816672 949686437 /nfs/dbraw/zinc/68/64/37/949686437.db2.gz UKOAUHFEFSCMKQ-HNNXBMFYSA-N -1 1 380.456 1.898 20 0 GDADMM C[C@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574958786 949693197 /nfs/dbraw/zinc/69/31/97/949693197.db2.gz WQJILUVBLMAQBG-HXFLIBJXSA-N -1 1 383.865 1.033 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CCn1cccc1 ZINC001573817166 949698124 /nfs/dbraw/zinc/69/81/24/949698124.db2.gz YBAPWCNBYFLAGT-CQSZACIVSA-N -1 1 383.460 1.491 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CCn1cccc1 ZINC001573817166 949698136 /nfs/dbraw/zinc/69/81/36/949698136.db2.gz YBAPWCNBYFLAGT-CQSZACIVSA-N -1 1 383.460 1.491 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CCc2ccco2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575880247 949700321 /nfs/dbraw/zinc/70/03/21/949700321.db2.gz SWDGLKFWXOJMMY-JSGCOSHPSA-N -1 1 382.428 1.356 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CCC(F)(F)F)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575880646 949702821 /nfs/dbraw/zinc/70/28/21/949702821.db2.gz VEVFAPRFVJBNOS-NXEZZACHSA-N -1 1 384.366 1.473 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CCC(F)(F)F)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575880646 949702839 /nfs/dbraw/zinc/70/28/39/949702839.db2.gz VEVFAPRFVJBNOS-NXEZZACHSA-N -1 1 384.366 1.473 20 0 GDADMM C[C@H](CC(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1)CC(C)(C)C ZINC001574478529 949715217 /nfs/dbraw/zinc/71/52/17/949715217.db2.gz YQPBEXKHTWKDKN-CYBMUJFWSA-N -1 1 390.492 1.352 20 0 GDADMM C[C@H](CC(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1)CC(C)(C)C ZINC001574478529 949715239 /nfs/dbraw/zinc/71/52/39/949715239.db2.gz YQPBEXKHTWKDKN-CYBMUJFWSA-N -1 1 390.492 1.352 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001574134731 949726960 /nfs/dbraw/zinc/72/69/60/949726960.db2.gz IVTQTXOTVGPKGQ-SOUVJXGZSA-N -1 1 384.488 1.624 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001574134731 949726968 /nfs/dbraw/zinc/72/69/68/949726968.db2.gz IVTQTXOTVGPKGQ-SOUVJXGZSA-N -1 1 384.488 1.624 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001574479038 949727202 /nfs/dbraw/zinc/72/72/02/949727202.db2.gz CEKXKEVQXSTBCC-VHSXEESVSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001574479038 949727216 /nfs/dbraw/zinc/72/72/16/949727216.db2.gz CEKXKEVQXSTBCC-VHSXEESVSA-N -1 1 384.366 1.282 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cc1cncs1 ZINC001573819046 949749375 /nfs/dbraw/zinc/74/93/75/949749375.db2.gz RMQQFKGUSAKEMF-LBPRGKRZSA-N -1 1 387.473 1.299 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cc1cncs1 ZINC001573819046 949749389 /nfs/dbraw/zinc/74/93/89/949749389.db2.gz RMQQFKGUSAKEMF-LBPRGKRZSA-N -1 1 387.473 1.299 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C[C@@](C)(O)C1CC1 ZINC001573819260 949749731 /nfs/dbraw/zinc/74/97/31/949749731.db2.gz RSXIRHZOPFASFQ-FZKQIMNGSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@@](C)(O)C1CC1 ZINC001573819260 949749742 /nfs/dbraw/zinc/74/97/42/949749742.db2.gz RSXIRHZOPFASFQ-FZKQIMNGSA-N -1 1 388.476 1.151 20 0 GDADMM C[C@@H]1CCCC[C@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001576171098 949752841 /nfs/dbraw/zinc/75/28/41/949752841.db2.gz OOTJHOVNVWPOLK-APIJFGDWSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H]1CCCC[C@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001576171098 949752850 /nfs/dbraw/zinc/75/28/50/949752850.db2.gz OOTJHOVNVWPOLK-APIJFGDWSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@H]1CCOC1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574718053 949758887 /nfs/dbraw/zinc/75/88/87/949758887.db2.gz RMTIICJGRVPJAE-RKDXNWHRSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@H]1CCOC1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574718053 949758902 /nfs/dbraw/zinc/75/89/02/949758902.db2.gz RMTIICJGRVPJAE-RKDXNWHRSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](CC(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1)n1cccc1 ZINC001574480900 949759343 /nfs/dbraw/zinc/75/93/43/949759343.db2.gz KZPCJMXTWJNEQM-ZDUSSCGKSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@@H](CC(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1)n1cccc1 ZINC001574480900 949759365 /nfs/dbraw/zinc/75/93/65/949759365.db2.gz KZPCJMXTWJNEQM-ZDUSSCGKSA-N -1 1 381.444 1.512 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C1(F)CCCC1 ZINC001573822424 949793775 /nfs/dbraw/zinc/79/37/75/949793775.db2.gz JBIFSOGUFQUHCI-NSHDSACASA-N -1 1 376.440 1.882 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C1(F)CCCC1 ZINC001573822424 949793791 /nfs/dbraw/zinc/79/37/91/949793791.db2.gz JBIFSOGUFQUHCI-NSHDSACASA-N -1 1 376.440 1.882 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2cc(Cl)no2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575882905 949795363 /nfs/dbraw/zinc/79/53/63/949795363.db2.gz BOPJTDUZTISMGM-RKDXNWHRSA-N -1 1 389.807 1.085 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2cc(Cl)no2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575882905 949795372 /nfs/dbraw/zinc/79/53/72/949795372.db2.gz BOPJTDUZTISMGM-RKDXNWHRSA-N -1 1 389.807 1.085 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1 ZINC001574138465 949795602 /nfs/dbraw/zinc/79/56/02/949795602.db2.gz CXNXVQOVGCGYNL-NHIYQJMISA-N -1 1 384.488 1.955 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1 ZINC001574138465 949795621 /nfs/dbraw/zinc/79/56/21/949795621.db2.gz CXNXVQOVGCGYNL-NHIYQJMISA-N -1 1 384.488 1.955 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2cc(Cl)no2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575882901 949795509 /nfs/dbraw/zinc/79/55/09/949795509.db2.gz BOPJTDUZTISMGM-BDAKNGLRSA-N -1 1 389.807 1.085 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2cc(Cl)no2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575882901 949795527 /nfs/dbraw/zinc/79/55/27/949795527.db2.gz BOPJTDUZTISMGM-BDAKNGLRSA-N -1 1 389.807 1.085 20 0 GDADMM C[C@H](CN(C)C(=O)CCc1ccccc1F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574720782 949807263 /nfs/dbraw/zinc/80/72/63/949807263.db2.gz HDWQLXBSIZKFOE-GFCCVEGCSA-N -1 1 384.419 1.109 20 0 GDADMM CC(C)C[C@H](C)CC(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCO1 ZINC001574139529 949816045 /nfs/dbraw/zinc/81/60/45/949816045.db2.gz KCSOBFMXZGJSOO-UONOGXRCSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@@H]1CCCC[C@@H]1CC(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576173032 949834944 /nfs/dbraw/zinc/83/49/44/949834944.db2.gz WNAMAVZBYFKOAC-HUUCEWRRSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@@H]1CCCC[C@@H]1CC(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576173032 949834963 /nfs/dbraw/zinc/83/49/63/949834963.db2.gz WNAMAVZBYFKOAC-HUUCEWRRSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1 ZINC001574140599 949838903 /nfs/dbraw/zinc/83/89/03/949838903.db2.gz OPBYWNNZAMKYRE-KBXIAJHMSA-N -1 1 384.488 1.955 20 0 GDADMM CC(C)C[C@H](C)CC(=O)NC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001574141100 949846089 /nfs/dbraw/zinc/84/60/89/949846089.db2.gz QWTOKHJTIIPGAR-KBPBESRZSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)C[C@H](C)CC(=O)NC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001574141100 949846116 /nfs/dbraw/zinc/84/61/16/949846116.db2.gz QWTOKHJTIIPGAR-KBPBESRZSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@H]1CC[C@H](C(=O)N[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)[C@@H]2C)CC1 ZINC001575884650 949847218 /nfs/dbraw/zinc/84/72/18/949847218.db2.gz VFIPHLMFVGZIAY-TUVASFSCSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H]1CC[C@H](C(=O)N[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)[C@@H]2C)CC1 ZINC001575884650 949847238 /nfs/dbraw/zinc/84/72/38/949847238.db2.gz VFIPHLMFVGZIAY-TUVASFSCSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@@H]1CCCC[C@@H]1CC(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576174094 949850462 /nfs/dbraw/zinc/85/04/62/949850462.db2.gz ZUOXEAFZLLVGSA-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C)C12CC(C(=O)N[C@H]3CCN(c4cncc(-c5nnn[n-]5)n4)C3)(C1)C2 ZINC001573825028 949860720 /nfs/dbraw/zinc/86/07/20/949860720.db2.gz KMTXQFXCANKFDE-RMEHTXHKSA-N -1 1 382.472 1.568 20 0 GDADMM CC(C)(C)C12CC(C(=O)N[C@H]3CCN(c4cncc(-c5nn[n-]n5)n4)C3)(C1)C2 ZINC001573825028 949860733 /nfs/dbraw/zinc/86/07/33/949860733.db2.gz KMTXQFXCANKFDE-RMEHTXHKSA-N -1 1 382.472 1.568 20 0 GDADMM CC(C)(C)C1CC(C(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573825050 949864698 /nfs/dbraw/zinc/86/46/98/949864698.db2.gz KQVTXWMJPYOIRX-HOAMVYINSA-N -1 1 382.472 1.519 20 0 GDADMM CC(C)(C)C1CC(C(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573825050 949864716 /nfs/dbraw/zinc/86/47/16/949864716.db2.gz KQVTXWMJPYOIRX-HOAMVYINSA-N -1 1 382.472 1.519 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ccccc1 ZINC001574484313 949877878 /nfs/dbraw/zinc/87/78/78/949877878.db2.gz ZADWTZSUGGCYGR-UKRRQHHQSA-N -1 1 378.440 1.863 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ccccc1 ZINC001574484313 949877903 /nfs/dbraw/zinc/87/79/03/949877903.db2.gz ZADWTZSUGGCYGR-UKRRQHHQSA-N -1 1 378.440 1.863 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H]2[C@@H]1CCN2c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001574484454 949883637 /nfs/dbraw/zinc/88/36/37/949883637.db2.gz HCPQQKAMSCRRNS-KCXAZCMYSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H]2[C@@H]1CCN2c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001574484454 949883661 /nfs/dbraw/zinc/88/36/61/949883661.db2.gz HCPQQKAMSCRRNS-KCXAZCMYSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cncs2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576178526 949893172 /nfs/dbraw/zinc/89/31/72/949893172.db2.gz BXKVHVUORNVWQY-PWSUYJOCSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cncs2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576178526 949893194 /nfs/dbraw/zinc/89/31/94/949893194.db2.gz BXKVHVUORNVWQY-PWSUYJOCSA-N -1 1 385.457 1.466 20 0 GDADMM CC(C)(C)/C=C\C(=O)N1CCCC[C@@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001573827188 949916539 /nfs/dbraw/zinc/91/65/39/949916539.db2.gz KRFFQENIPMJDSP-JKEYDSJLSA-N -1 1 384.488 1.864 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001574485660 949926850 /nfs/dbraw/zinc/92/68/50/949926850.db2.gz YPHIUIHBECGKBN-ZJUUUORDSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001574485660 949926868 /nfs/dbraw/zinc/92/68/68/949926868.db2.gz YPHIUIHBECGKBN-ZJUUUORDSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccn(C)c2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576180854 949976250 /nfs/dbraw/zinc/97/62/50/949976250.db2.gz JVLFXNULQIQMQA-SWLSCSKDSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccn(C)c2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576180854 949976266 /nfs/dbraw/zinc/97/62/66/949976266.db2.gz JVLFXNULQIQMQA-SWLSCSKDSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@@H](CC(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)c1ccco1 ZINC001574490020 949978341 /nfs/dbraw/zinc/97/83/41/949978341.db2.gz NCWMNVHPMOYDCH-AAEUAGOBSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](CC(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)c1ccco1 ZINC001574490020 949978362 /nfs/dbraw/zinc/97/83/62/949978362.db2.gz NCWMNVHPMOYDCH-AAEUAGOBSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cscn2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576181052 949987404 /nfs/dbraw/zinc/98/74/04/949987404.db2.gz RWIZFFYIPGEZOE-PWSUYJOCSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cscn2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576181052 949987427 /nfs/dbraw/zinc/98/74/27/949987427.db2.gz RWIZFFYIPGEZOE-PWSUYJOCSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccsn2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576181269 949996550 /nfs/dbraw/zinc/99/65/50/949996550.db2.gz LKUVXEKHYCOPJF-JQWIXIFHSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccsn2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576181269 949996570 /nfs/dbraw/zinc/99/65/70/949996570.db2.gz LKUVXEKHYCOPJF-JQWIXIFHSA-N -1 1 385.457 1.466 20 0 GDADMM CC(C)(C)CC(=O)N1C[C@@]2(C)CN(c3cncc(-c4nnn[n-]4)n3)C[C@@]2(C)C1 ZINC001573834571 950022319 /nfs/dbraw/zinc/02/23/19/950022319.db2.gz IMBSOSOIYCSJPH-KDURUIRLSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)(C)CC(=O)N1C[C@@]2(C)CN(c3cncc(-c4nn[n-]n4)n3)C[C@@]2(C)C1 ZINC001573834571 950022340 /nfs/dbraw/zinc/02/23/40/950022340.db2.gz IMBSOSOIYCSJPH-KDURUIRLSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](CC(=O)N[C@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccccc1 ZINC001574491211 950031226 /nfs/dbraw/zinc/03/12/26/950031226.db2.gz BCUQYRXGGVTSOU-JLTOFOAXSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H](CC(=O)N[C@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccccc1 ZINC001574491211 950031250 /nfs/dbraw/zinc/03/12/50/950031250.db2.gz BCUQYRXGGVTSOU-JLTOFOAXSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@]1(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)nn3)CC2)CCc2ccccc21 ZINC001575575091 950043076 /nfs/dbraw/zinc/04/30/76/950043076.db2.gz DQUPMZUTMQRPJX-IBGZPJMESA-N -1 1 390.451 1.622 20 0 GDADMM C[C@]1(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)nn3)CC2)CCc2ccccc21 ZINC001575575091 950043098 /nfs/dbraw/zinc/04/30/98/950043098.db2.gz DQUPMZUTMQRPJX-IBGZPJMESA-N -1 1 390.451 1.622 20 0 GDADMM CC(C)(C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573835530 950051863 /nfs/dbraw/zinc/05/18/63/950051863.db2.gz XMLOVLLIKYRUAZ-MWLCHTKSSA-N -1 1 398.393 1.894 20 0 GDADMM CC(C)(C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573835530 950051885 /nfs/dbraw/zinc/05/18/85/950051885.db2.gz XMLOVLLIKYRUAZ-MWLCHTKSSA-N -1 1 398.393 1.894 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001574492076 950059925 /nfs/dbraw/zinc/05/99/25/950059925.db2.gz IVIKONCRIDOYBT-CHWSQXEVSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001574492076 950059947 /nfs/dbraw/zinc/05/99/47/950059947.db2.gz IVIKONCRIDOYBT-CHWSQXEVSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001574492077 950060364 /nfs/dbraw/zinc/06/03/64/950060364.db2.gz IVIKONCRIDOYBT-OLZOCXBDSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001574492077 950060383 /nfs/dbraw/zinc/06/03/83/950060383.db2.gz IVIKONCRIDOYBT-OLZOCXBDSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1cccc(Cl)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574731996 950065573 /nfs/dbraw/zinc/06/55/73/950065573.db2.gz ZOESNWWUBDWPQK-LLVKDONJSA-N -1 1 386.847 1.812 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1cccc(Cl)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574731996 950065597 /nfs/dbraw/zinc/06/55/97/950065597.db2.gz ZOESNWWUBDWPQK-LLVKDONJSA-N -1 1 386.847 1.812 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2cccc(F)c2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575892736 950080164 /nfs/dbraw/zinc/08/01/64/950080164.db2.gz YXKCFWSBBPSLOJ-BXUZGUMPSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2cccc(F)c2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575892736 950080190 /nfs/dbraw/zinc/08/01/90/950080190.db2.gz YXKCFWSBBPSLOJ-BXUZGUMPSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cnco2)[C@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576183395 950083844 /nfs/dbraw/zinc/08/38/44/950083844.db2.gz REKPUHQUOKXMST-AAEUAGOBSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cnco2)[C@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576183395 950083865 /nfs/dbraw/zinc/08/38/65/950083865.db2.gz REKPUHQUOKXMST-AAEUAGOBSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cnco2)[C@@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576183396 950086198 /nfs/dbraw/zinc/08/61/98/950086198.db2.gz REKPUHQUOKXMST-DGCLKSJQSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cnco2)[C@@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576183396 950086224 /nfs/dbraw/zinc/08/62/24/950086224.db2.gz REKPUHQUOKXMST-DGCLKSJQSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@H](CC(=O)N[C@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001574492527 950087123 /nfs/dbraw/zinc/08/71/23/950087123.db2.gz NTXSSTOIYOMVHL-KZULUSFZSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](CC(=O)N[C@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001574492527 950087142 /nfs/dbraw/zinc/08/71/42/950087142.db2.gz NTXSSTOIYOMVHL-KZULUSFZSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cnco2)[C@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576183398 950087516 /nfs/dbraw/zinc/08/75/16/950087516.db2.gz REKPUHQUOKXMST-YPMHNXCESA-N -1 1 383.416 1.388 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cnco2)[C@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576183398 950087535 /nfs/dbraw/zinc/08/75/35/950087535.db2.gz REKPUHQUOKXMST-YPMHNXCESA-N -1 1 383.416 1.388 20 0 GDADMM C[C@H]1CCN(C(=O)C2CC(F)(F)C2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576183586 950090737 /nfs/dbraw/zinc/09/07/37/950090737.db2.gz QHHBABHQWLZPGN-CMPLNLGQSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H]1CCN(C(=O)C2CC(F)(F)C2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576183586 950090766 /nfs/dbraw/zinc/09/07/66/950090766.db2.gz QHHBABHQWLZPGN-CMPLNLGQSA-N -1 1 392.414 1.599 20 0 GDADMM CC(C)(C)CC(=O)N[C@@H]1[C@H]2CN(c3snc(Cl)c3-c3nnn[n-]3)C[C@H]21 ZINC001573838416 950111388 /nfs/dbraw/zinc/11/13/88/950111388.db2.gz CPBHBFPNGGWTAB-VROVMSAKSA-N -1 1 381.893 1.964 20 0 GDADMM CC(C)(C)CC(=O)N[C@@H]1[C@H]2CN(c3snc(Cl)c3-c3nn[n-]n3)C[C@H]21 ZINC001573838416 950111398 /nfs/dbraw/zinc/11/13/98/950111398.db2.gz CPBHBFPNGGWTAB-VROVMSAKSA-N -1 1 381.893 1.964 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cncs2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576184045 950115103 /nfs/dbraw/zinc/11/51/03/950115103.db2.gz VKPJNZNBEHWVKS-PWSUYJOCSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cncs2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576184045 950115121 /nfs/dbraw/zinc/11/51/21/950115121.db2.gz VKPJNZNBEHWVKS-PWSUYJOCSA-N -1 1 385.457 1.466 20 0 GDADMM CC1(C(=O)NCC2CC(Nc3cnc(-c4nnn[n-]4)cn3)C2)CC(F)(F)C1 ZINC001575582500 950115385 /nfs/dbraw/zinc/11/53/85/950115385.db2.gz DTCYMEPOWOXBNH-UHFFFAOYSA-N -1 1 378.387 1.399 20 0 GDADMM CC1(C(=O)NCC2CC(Nc3cnc(-c4nn[n-]n4)cn3)C2)CC(F)(F)C1 ZINC001575582500 950115400 /nfs/dbraw/zinc/11/54/00/950115400.db2.gz DTCYMEPOWOXBNH-UHFFFAOYSA-N -1 1 378.387 1.399 20 0 GDADMM C[C@H]1CCN(C(=O)C2(C3CC3)CC2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576184108 950117728 /nfs/dbraw/zinc/11/77/28/950117728.db2.gz UAIIDQDATRKDGC-QWHCGFSZSA-N -1 1 382.472 1.165 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1)n1cccc1 ZINC001574493348 950128772 /nfs/dbraw/zinc/12/87/72/950128772.db2.gz FSQVUZRSYYMYRU-WFASDCNBSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1)n1cccc1 ZINC001574493348 950128798 /nfs/dbraw/zinc/12/87/98/950128798.db2.gz FSQVUZRSYYMYRU-WFASDCNBSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccns2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576184569 950133386 /nfs/dbraw/zinc/13/33/86/950133386.db2.gz WJYQMIUVKKZLKQ-ZYHUDNBSSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccns2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576184569 950133404 /nfs/dbraw/zinc/13/34/04/950133404.db2.gz WJYQMIUVKKZLKQ-ZYHUDNBSSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(F)CCCC2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576184643 950137699 /nfs/dbraw/zinc/13/76/99/950137699.db2.gz WPDIRLZWAJUUPY-OLZOCXBDSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(F)CCCC2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576184643 950137714 /nfs/dbraw/zinc/13/77/14/950137714.db2.gz WPDIRLZWAJUUPY-OLZOCXBDSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574734764 950139700 /nfs/dbraw/zinc/13/97/00/950139700.db2.gz QGQYJFOGVOCUAF-VHDGCEQUSA-N -1 1 378.440 1.719 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574734764 950139719 /nfs/dbraw/zinc/13/97/19/950139719.db2.gz QGQYJFOGVOCUAF-VHDGCEQUSA-N -1 1 378.440 1.719 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574734763 950140977 /nfs/dbraw/zinc/14/09/77/950140977.db2.gz QGQYJFOGVOCUAF-AEGPPILISA-N -1 1 378.440 1.719 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574734763 950140989 /nfs/dbraw/zinc/14/09/89/950140989.db2.gz QGQYJFOGVOCUAF-AEGPPILISA-N -1 1 378.440 1.719 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001574493912 950146518 /nfs/dbraw/zinc/14/65/18/950146518.db2.gz VHFRQEWWIGFLEQ-CHWSQXEVSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001574493912 950146528 /nfs/dbraw/zinc/14/65/28/950146528.db2.gz VHFRQEWWIGFLEQ-CHWSQXEVSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](CC(=O)NC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1)c1ccco1 ZINC001574493942 950147647 /nfs/dbraw/zinc/14/76/47/950147647.db2.gz IYDJVPUKEANGDQ-YPMHNXCESA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](CC(=O)NC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1)c1ccco1 ZINC001574493942 950147661 /nfs/dbraw/zinc/14/76/61/950147661.db2.gz IYDJVPUKEANGDQ-YPMHNXCESA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cnco2)[C@@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001576184996 950149287 /nfs/dbraw/zinc/14/92/87/950149287.db2.gz YFHZEASFLVTHFP-NWDGAFQWSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cnco2)[C@@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001576184996 950149299 /nfs/dbraw/zinc/14/92/99/950149299.db2.gz YFHZEASFLVTHFP-NWDGAFQWSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@H]1CCN(C(=O)Cc2ccccc2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576185074 950154270 /nfs/dbraw/zinc/15/42/70/950154270.db2.gz ZBFZIBMCMMNAFT-HOCLYGCPSA-N -1 1 392.467 1.796 20 0 GDADMM C[C@H]1CCN(C(=O)Cc2ccccc2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576185074 950154283 /nfs/dbraw/zinc/15/42/83/950154283.db2.gz ZBFZIBMCMMNAFT-HOCLYGCPSA-N -1 1 392.467 1.796 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(C3CC3)CC2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576185092 950157042 /nfs/dbraw/zinc/15/70/42/950157042.db2.gz ZMGIVVKLEFXIRS-CHWSQXEVSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(C3CC3)CC2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576185092 950157053 /nfs/dbraw/zinc/15/70/53/950157053.db2.gz ZMGIVVKLEFXIRS-CHWSQXEVSA-N -1 1 382.472 1.743 20 0 GDADMM CC1(C(=O)NC[C@@H]2CCC3(CN(Cc4ccc(-c5nn[n-]n5)s4)C3)O2)CC1 ZINC001575585058 950186574 /nfs/dbraw/zinc/18/65/74/950186574.db2.gz WJMVRCQFZKNFCL-LBPRGKRZSA-N -1 1 388.497 1.578 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C1(C(F)F)CC1 ZINC001574155567 950195453 /nfs/dbraw/zinc/19/54/53/950195453.db2.gz NVNHEZHXGKLDHU-SNVBAGLBSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C1(C(F)F)CC1 ZINC001574155567 950195459 /nfs/dbraw/zinc/19/54/59/950195459.db2.gz NVNHEZHXGKLDHU-SNVBAGLBSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccncc2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576191654 950203108 /nfs/dbraw/zinc/20/31/08/950203108.db2.gz HQTUGVFDQZJPRE-JSGCOSHPSA-N -1 1 379.428 1.262 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccncc2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576191654 950203127 /nfs/dbraw/zinc/20/31/27/950203127.db2.gz HQTUGVFDQZJPRE-JSGCOSHPSA-N -1 1 379.428 1.262 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccccn2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576191742 950209937 /nfs/dbraw/zinc/20/99/37/950209937.db2.gz JPUHZJBVESUASC-STQMWFEESA-N -1 1 379.428 1.262 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccccn2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576191742 950209945 /nfs/dbraw/zinc/20/99/45/950209945.db2.gz JPUHZJBVESUASC-STQMWFEESA-N -1 1 379.428 1.262 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C1C=CC=CC=C1 ZINC001574155979 950215139 /nfs/dbraw/zinc/21/51/39/950215139.db2.gz SUZGHWVPYHUUPD-OAHLLOKOSA-N -1 1 380.456 1.898 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C1C=CC=CC=C1 ZINC001574155979 950215154 /nfs/dbraw/zinc/21/51/54/950215154.db2.gz SUZGHWVPYHUUPD-OAHLLOKOSA-N -1 1 380.456 1.898 20 0 GDADMM C[C@H]1CCN(C(=O)c2cccn2C)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576192023 950220447 /nfs/dbraw/zinc/22/04/47/950220447.db2.gz LBKRIBLAJDISLX-STQMWFEESA-N -1 1 381.444 1.206 20 0 GDADMM C[C@H]1CCN(C(=O)c2cccn2C)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576192023 950220467 /nfs/dbraw/zinc/22/04/67/950220467.db2.gz LBKRIBLAJDISLX-STQMWFEESA-N -1 1 381.444 1.206 20 0 GDADMM CC1(C(=O)NC[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC(F)(F)C1 ZINC001575586491 950225972 /nfs/dbraw/zinc/22/59/72/950225972.db2.gz JHIRKHMMWIZDKC-SNVBAGLBSA-N -1 1 378.387 1.035 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573845542 950230881 /nfs/dbraw/zinc/23/08/81/950230881.db2.gz GNCLGMDPXXFEAL-BFHYXJOUSA-N -1 1 384.488 1.554 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C1CC(F)(F)C1 ZINC001574157474 950237096 /nfs/dbraw/zinc/23/70/96/950237096.db2.gz BUCKOMNYLFZWSP-LLVKDONJSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C1CC(F)(F)C1 ZINC001574157474 950237113 /nfs/dbraw/zinc/23/71/13/950237113.db2.gz BUCKOMNYLFZWSP-LLVKDONJSA-N -1 1 380.403 1.645 20 0 GDADMM CC1(C(=O)NC[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CCCCCC1 ZINC001575588183 950245552 /nfs/dbraw/zinc/24/55/52/950245552.db2.gz QCDAYIWMXBFZRZ-CQSZACIVSA-N -1 1 384.488 1.960 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C1CCC(O)CC1 ZINC001574158070 950269956 /nfs/dbraw/zinc/26/99/56/950269956.db2.gz NVJPUWVKNCZRTI-ROKHWSDSSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C1CCC(O)CC1 ZINC001574158070 950269976 /nfs/dbraw/zinc/26/99/76/950269976.db2.gz NVJPUWVKNCZRTI-ROKHWSDSSA-N -1 1 388.476 1.151 20 0 GDADMM C[C@H]1CCN(C(=O)c2cc(F)c[nH]2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576193444 950301816 /nfs/dbraw/zinc/30/18/16/950301816.db2.gz UXGYPJIAURGSOE-QWRGUYRKSA-N -1 1 385.407 1.334 20 0 GDADMM C[C@H]1CCN(C(=O)c2cc(F)c[nH]2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576193444 950301833 /nfs/dbraw/zinc/30/18/33/950301833.db2.gz UXGYPJIAURGSOE-QWRGUYRKSA-N -1 1 385.407 1.334 20 0 GDADMM CC(C)(C)OC(=O)N(CC(=O)NCc1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC001573852742 950311841 /nfs/dbraw/zinc/31/18/41/950311841.db2.gz IUBUPKUHBCMYIX-UHFFFAOYSA-N -1 1 378.458 1.944 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccco1 ZINC001574501441 950328643 /nfs/dbraw/zinc/32/86/43/950328643.db2.gz DHERYBGYTUVFRT-QWHCGFSZSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574501441 950328664 /nfs/dbraw/zinc/32/86/64/950328664.db2.gz DHERYBGYTUVFRT-QWHCGFSZSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccn(C)c2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576194475 950342130 /nfs/dbraw/zinc/34/21/30/950342130.db2.gz ZEKFLFBUHWIVBT-TZMCWYRMSA-N -1 1 381.444 1.206 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccn(C)c2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576194475 950342149 /nfs/dbraw/zinc/34/21/49/950342149.db2.gz ZEKFLFBUHWIVBT-TZMCWYRMSA-N -1 1 381.444 1.206 20 0 GDADMM C[C@@]1(C(=O)NC[C@H]2CN(Cc3ccc(-c4nn[n-]n4)s3)CCO2)C=CCC1 ZINC001575595077 950345454 /nfs/dbraw/zinc/34/54/54/950345454.db2.gz MVSNTSQGPWXHTA-SCLBCKFNSA-N -1 1 388.497 1.602 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCCOCC1 ZINC001574161245 950351735 /nfs/dbraw/zinc/35/17/35/950351735.db2.gz SDRDPKXUZUNYPQ-KBPBESRZSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCCOCC1 ZINC001574161245 950351755 /nfs/dbraw/zinc/35/17/55/950351755.db2.gz SDRDPKXUZUNYPQ-KBPBESRZSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccnc(F)c1 ZINC001574161331 950359701 /nfs/dbraw/zinc/35/97/01/950359701.db2.gz TWRPSYKAMIOVFO-LBPRGKRZSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccnc(F)c1 ZINC001574161331 950359724 /nfs/dbraw/zinc/35/97/24/950359724.db2.gz TWRPSYKAMIOVFO-LBPRGKRZSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H](C)c1ccco1 ZINC001574161472 950360099 /nfs/dbraw/zinc/36/00/99/950360099.db2.gz UYYZFDYZCPIURH-CHWSQXEVSA-N -1 1 384.444 1.996 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)c1ccco1 ZINC001574161472 950360126 /nfs/dbraw/zinc/36/01/26/950360126.db2.gz UYYZFDYZCPIURH-CHWSQXEVSA-N -1 1 384.444 1.996 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc(C(C)(C)C)on1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574744788 950363929 /nfs/dbraw/zinc/36/39/29/950363929.db2.gz BHQKPHQZWZYJAB-SNVBAGLBSA-N -1 1 385.432 1.515 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc(C(C)(C)C)on1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574744788 950363950 /nfs/dbraw/zinc/36/39/50/950363950.db2.gz BHQKPHQZWZYJAB-SNVBAGLBSA-N -1 1 385.432 1.515 20 0 GDADMM CC(C)CC1(C(=O)N(CCO)CCNc2nccnc2-c2nnn[n-]2)CCC1 ZINC001574162424 950381892 /nfs/dbraw/zinc/38/18/92/950381892.db2.gz ACEXXLKKWAPXAR-UHFFFAOYSA-N -1 1 388.476 1.106 20 0 GDADMM CC(C)CC1(C(=O)N(CCO)CCNc2nccnc2-c2nn[n-]n2)CCC1 ZINC001574162424 950381908 /nfs/dbraw/zinc/38/19/08/950381908.db2.gz ACEXXLKKWAPXAR-UHFFFAOYSA-N -1 1 388.476 1.106 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001574162652 950394539 /nfs/dbraw/zinc/39/45/39/950394539.db2.gz GKQCIUZNELLUQO-SYQHCUMBSA-N -1 1 386.460 1.167 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001574162652 950394561 /nfs/dbraw/zinc/39/45/61/950394561.db2.gz GKQCIUZNELLUQO-SYQHCUMBSA-N -1 1 386.460 1.167 20 0 GDADMM C[C@]1(C(=O)NCc2cc(F)c(-c3nnn[n-]3)c(F)c2)COc2ccccc2O1 ZINC001575597309 950408726 /nfs/dbraw/zinc/40/87/26/950408726.db2.gz OLGSGDPTWGGMRD-GOSISDBHSA-N -1 1 387.346 1.991 20 0 GDADMM C[C@]1(C(=O)NCc2cc(F)c(-c3nn[n-]n3)c(F)c2)COc2ccccc2O1 ZINC001575597309 950408741 /nfs/dbraw/zinc/40/87/41/950408741.db2.gz OLGSGDPTWGGMRD-GOSISDBHSA-N -1 1 387.346 1.991 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574503496 950415044 /nfs/dbraw/zinc/41/50/44/950415044.db2.gz XJMHODPORUOHPI-ZJUUUORDSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@H](CC(=O)NCC=CCNc1cnc(-c2nnn[n-]2)cn1)c1ccncc1 ZINC001574503670 950419687 /nfs/dbraw/zinc/41/96/87/950419687.db2.gz YNXTVPQCZNZCAK-ZRMMWKCHSA-N -1 1 379.428 1.330 20 0 GDADMM C[C@@H](CC(=O)NCC=CCNc1cnc(-c2nn[n-]n2)cn1)c1ccncc1 ZINC001574503670 950419699 /nfs/dbraw/zinc/41/96/99/950419699.db2.gz YNXTVPQCZNZCAK-ZRMMWKCHSA-N -1 1 379.428 1.330 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CC[C@@H]1CCOC1 ZINC001574163542 950427236 /nfs/dbraw/zinc/42/72/36/950427236.db2.gz VRBHZHISISZXKV-ZIAGYGMSSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CC[C@@H]1CCOC1 ZINC001574163542 950427248 /nfs/dbraw/zinc/42/72/48/950427248.db2.gz VRBHZHISISZXKV-ZIAGYGMSSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)CC1(C(=O)N(C)C[C@H](O)CNc2ccc(-c3nnn[n-]3)nn2)CCC1 ZINC001574163826 950435040 /nfs/dbraw/zinc/43/50/40/950435040.db2.gz YXDKRVMAUAAISF-CYBMUJFWSA-N -1 1 388.476 1.104 20 0 GDADMM CC(C)CC1(C(=O)N(C)C[C@H](O)CNc2ccc(-c3nn[n-]n3)nn2)CCC1 ZINC001574163826 950435054 /nfs/dbraw/zinc/43/50/54/950435054.db2.gz YXDKRVMAUAAISF-CYBMUJFWSA-N -1 1 388.476 1.104 20 0 GDADMM CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001573861062 950436255 /nfs/dbraw/zinc/43/62/55/950436255.db2.gz RAWGFJOONILDNL-SGTLLEGYSA-N -1 1 386.460 1.788 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc(Cl)cs1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574750725 950440855 /nfs/dbraw/zinc/44/08/55/950440855.db2.gz GQANNDUMQZIYNL-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc(Cl)cs1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574750725 950440862 /nfs/dbraw/zinc/44/08/62/950440862.db2.gz GQANNDUMQZIYNL-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM CC(C)(C)OC(=O)N[C@@](C)(C(=O)Nc1n[nH]cc1-c1nnn[n-]1)c1ccccc1 ZINC001573861086 950441523 /nfs/dbraw/zinc/44/15/23/950441523.db2.gz SFNWMMVTANWFGO-GOSISDBHSA-N -1 1 398.427 1.968 20 0 GDADMM CC(C)(C)OC(=O)N[C@@](C)(C(=O)Nc1n[nH]cc1-c1nn[n-]n1)c1ccccc1 ZINC001573861086 950441535 /nfs/dbraw/zinc/44/15/35/950441535.db2.gz SFNWMMVTANWFGO-GOSISDBHSA-N -1 1 398.427 1.968 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc2c(o1)CCCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574751174 950452332 /nfs/dbraw/zinc/45/23/32/950452332.db2.gz KRAYZTLEOWBMJR-NSHDSACASA-N -1 1 382.428 1.701 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc2c(o1)CCCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574751174 950452341 /nfs/dbraw/zinc/45/23/41/950452341.db2.gz KRAYZTLEOWBMJR-NSHDSACASA-N -1 1 382.428 1.701 20 0 GDADMM C[C@H](CC(=O)NCCN(C)c1nccnc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001574507595 950458900 /nfs/dbraw/zinc/45/89/00/950458900.db2.gz GCXPWEPGEVFENK-GFCCVEGCSA-N -1 1 384.419 1.542 20 0 GDADMM C[C@H](CC(=O)NCCN(C)c1nccnc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001574507595 950458907 /nfs/dbraw/zinc/45/89/07/950458907.db2.gz GCXPWEPGEVFENK-GFCCVEGCSA-N -1 1 384.419 1.542 20 0 GDADMM CC(C)(C)OC(=O)c1cc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)[nH]n1 ZINC001573863342 950476681 /nfs/dbraw/zinc/47/66/81/950476681.db2.gz DEXXBNMCWVDWMD-UHFFFAOYSA-N -1 1 375.414 1.537 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)[C@@H]1CCCO1 ZINC001574508500 950481721 /nfs/dbraw/zinc/48/17/21/950481721.db2.gz PBNHXAYOUJOWIG-XPCVCDNBSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)[C@@H]1CCCO1 ZINC001574508500 950481736 /nfs/dbraw/zinc/48/17/36/950481736.db2.gz PBNHXAYOUJOWIG-XPCVCDNBSA-N -1 1 386.460 1.169 20 0 GDADMM CCN(CC1CCN([C@H]2CCN(CC(=O)[O-])C2=O)CC1)C(=O)OC(C)(C)C ZINC001589729909 950487350 /nfs/dbraw/zinc/48/73/50/950487350.db2.gz GVJXPPYGZQOGTD-HNNXBMFYSA-N -1 1 383.489 1.641 20 0 GDADMM C[C@@]1(C(=O)N[C@H]2C[C@@H](Nc3snc(Cl)c3-c3nnn[n-]3)C2)CCOC1 ZINC001575607592 950508271 /nfs/dbraw/zinc/50/82/71/950508271.db2.gz KQLHBQIRTMURRA-CYVIZDSUSA-N -1 1 383.865 1.462 20 0 GDADMM C[C@@]1(C(=O)N[C@H]2C[C@@H](Nc3snc(Cl)c3-c3nn[n-]n3)C2)CCOC1 ZINC001575607592 950508285 /nfs/dbraw/zinc/50/82/85/950508285.db2.gz KQLHBQIRTMURRA-CYVIZDSUSA-N -1 1 383.865 1.462 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)Cc1cccc(F)c1 ZINC001575915378 950510029 /nfs/dbraw/zinc/51/00/29/950510029.db2.gz MVUBDIQQJSHWSY-SMDDNHRTSA-N -1 1 382.403 1.440 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)Cc1cccc(F)c1 ZINC001575915378 950510050 /nfs/dbraw/zinc/51/00/50/950510050.db2.gz MVUBDIQQJSHWSY-SMDDNHRTSA-N -1 1 382.403 1.440 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001574509561 950513719 /nfs/dbraw/zinc/51/37/19/950513719.db2.gz XHZYOWOLOCXDPE-IHRRRGAJSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001574509561 950513735 /nfs/dbraw/zinc/51/37/35/950513735.db2.gz XHZYOWOLOCXDPE-IHRRRGAJSA-N -1 1 381.444 1.416 20 0 GDADMM CC(C)CCC(=O)N1CCC[C@@H]2CN(c3nccnc3-c3nnn[n-]3)CC[C@@H]21 ZINC001574172778 950583751 /nfs/dbraw/zinc/58/37/51/950583751.db2.gz BODDMDMPMORIHM-CABCVRRESA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CCC(=O)N1CCC[C@@H]2CN(c3nccnc3-c3nn[n-]n3)CC[C@@H]21 ZINC001574172778 950583769 /nfs/dbraw/zinc/58/37/69/950583769.db2.gz BODDMDMPMORIHM-CABCVRRESA-N -1 1 384.488 1.910 20 0 GDADMM CC1(C)C(C(=O)NC[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)C1(C)C ZINC001575619879 950626744 /nfs/dbraw/zinc/62/67/44/950626744.db2.gz SIFVKFZDRPUKMP-GFCCVEGCSA-N -1 1 384.488 1.672 20 0 GDADMM CC1(C)C(C(=O)NC[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)C1(C)C ZINC001575619879 950626762 /nfs/dbraw/zinc/62/67/62/950626762.db2.gz SIFVKFZDRPUKMP-GFCCVEGCSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccn(C)n1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574759165 950631758 /nfs/dbraw/zinc/63/17/58/950631758.db2.gz LFZSHCFDWATOBQ-ZETCQYMHSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccn(C)n1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574759165 950631768 /nfs/dbraw/zinc/63/17/68/950631768.db2.gz LFZSHCFDWATOBQ-ZETCQYMHSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccncn1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574759409 950639662 /nfs/dbraw/zinc/63/96/62/950639662.db2.gz CNXMKXYBQUGBGY-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccncn1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574759409 950639672 /nfs/dbraw/zinc/63/96/72/950639672.db2.gz CNXMKXYBQUGBGY-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)c(F)cc1F)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575001896 950646945 /nfs/dbraw/zinc/64/69/45/950646945.db2.gz OGGGCHPKFHWKKI-MRVPVSSYSA-N -1 1 392.345 1.552 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)c(F)cc1F)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575001896 950646961 /nfs/dbraw/zinc/64/69/61/950646961.db2.gz OGGGCHPKFHWKKI-MRVPVSSYSA-N -1 1 392.345 1.552 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001574517820 950650655 /nfs/dbraw/zinc/65/06/55/950650655.db2.gz MKFPULBYHVEMAN-MGPQQGTHSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001574517820 950650670 /nfs/dbraw/zinc/65/06/70/950650670.db2.gz MKFPULBYHVEMAN-MGPQQGTHSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCCc1ccccc1 ZINC001575923259 950654237 /nfs/dbraw/zinc/65/42/37/950654237.db2.gz PZHVZPKBTJWYNN-ZBFHGGJFSA-N -1 1 392.467 1.503 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccncc1Cl ZINC001575923995 950669400 /nfs/dbraw/zinc/66/94/00/950669400.db2.gz RHKGXBAERXEFMK-BXKDBHETSA-N -1 1 385.819 1.420 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccncc1Cl ZINC001575923995 950669411 /nfs/dbraw/zinc/66/94/11/950669411.db2.gz RHKGXBAERXEFMK-BXKDBHETSA-N -1 1 385.819 1.420 20 0 GDADMM CC(C)n1ccc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@H]2C)n1 ZINC001575925057 950679405 /nfs/dbraw/zinc/67/94/05/950679405.db2.gz SSRZPSKTUUZRKG-NEPJUHHUSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1ccc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@H]2C)n1 ZINC001575925057 950679416 /nfs/dbraw/zinc/67/94/16/950679416.db2.gz SSRZPSKTUUZRKG-NEPJUHHUSA-N -1 1 382.432 1.149 20 0 GDADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc2[nH]ccc2c1 ZINC001575925390 950684499 /nfs/dbraw/zinc/68/44/99/950684499.db2.gz URNAWGXBRSODIO-BXUZGUMPSA-N -1 1 389.423 1.275 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573878221 950699721 /nfs/dbraw/zinc/69/97/21/950699721.db2.gz LFPKJKDCEPFTDD-BFHYXJOUSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573878221 950699733 /nfs/dbraw/zinc/69/97/33/950699733.db2.gz LFPKJKDCEPFTDD-BFHYXJOUSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001574520030 950707008 /nfs/dbraw/zinc/70/70/08/950707008.db2.gz ZYAUEGLZRPNNQT-AVGNSLFASA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001574520030 950707022 /nfs/dbraw/zinc/70/70/22/950707022.db2.gz ZYAUEGLZRPNNQT-AVGNSLFASA-N -1 1 382.428 1.750 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573878593 950712696 /nfs/dbraw/zinc/71/26/96/950712696.db2.gz VTEWBUFIEIOYMH-ZIAGYGMSSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573878593 950712717 /nfs/dbraw/zinc/71/27/17/950712717.db2.gz VTEWBUFIEIOYMH-ZIAGYGMSSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@@H](CNC(=O)c1cc2n(c1)CCCC2)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575006073 950712857 /nfs/dbraw/zinc/71/28/57/950712857.db2.gz RMXORESVTOWQBQ-LBPRGKRZSA-N -1 1 381.444 1.049 20 0 GDADMM C[C@@H](CNC(=O)c1cc2n(c1)CCCC2)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575006073 950712876 /nfs/dbraw/zinc/71/28/76/950712876.db2.gz RMXORESVTOWQBQ-LBPRGKRZSA-N -1 1 381.444 1.049 20 0 GDADMM C[C@@H](CNC(=O)c1cc2ccccc2n1C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575006235 950715246 /nfs/dbraw/zinc/71/52/46/950715246.db2.gz TWTZXJJTZBDHAS-NSHDSACASA-N -1 1 377.412 1.379 20 0 GDADMM C[C@@H](CNC(=O)c1cc2ccccc2n1C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575006235 950715263 /nfs/dbraw/zinc/71/52/63/950715263.db2.gz TWTZXJJTZBDHAS-NSHDSACASA-N -1 1 377.412 1.379 20 0 GDADMM CC(C)CCC(=O)NC[C@]12CCC[C@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001574180022 950719639 /nfs/dbraw/zinc/71/96/39/950719639.db2.gz NUHBMCVWECJDKL-DNVCBOLYSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CCC(=O)NC[C@]12CCC[C@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001574180022 950719661 /nfs/dbraw/zinc/71/96/61/950719661.db2.gz NUHBMCVWECJDKL-DNVCBOLYSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CN(C(=O)C(C2CC2)C2CC2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576216218 950725417 /nfs/dbraw/zinc/72/54/17/950725417.db2.gz DCGKFLPGLKQMRQ-RISCZKNCSA-N -1 1 382.472 1.021 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ncoc1C1CC1 ZINC001575927362 950743511 /nfs/dbraw/zinc/74/35/11/950743511.db2.gz PKMBCPZVMAPRNX-GXSJLCMTSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ncoc1C1CC1 ZINC001575927362 950743529 /nfs/dbraw/zinc/74/35/29/950743529.db2.gz PKMBCPZVMAPRNX-GXSJLCMTSA-N -1 1 381.400 1.237 20 0 GDADMM CC1(C)CC(C(=O)N[C@]23CCC[C@@H]2N(c2cncc(-c4nnn[n-]4)n2)CC3)C1 ZINC001575629923 950748499 /nfs/dbraw/zinc/74/84/99/950748499.db2.gz UMVSHEIAHRXAPJ-LIRRHRJNSA-N -1 1 382.472 1.711 20 0 GDADMM CC1(C)CC(C(=O)N[C@]23CCC[C@@H]2N(c2cncc(-c4nn[n-]n4)n2)CC3)C1 ZINC001575629923 950748520 /nfs/dbraw/zinc/74/85/20/950748520.db2.gz UMVSHEIAHRXAPJ-LIRRHRJNSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1nc(Cl)cs1 ZINC001575927836 950759312 /nfs/dbraw/zinc/75/93/12/950759312.db2.gz VEHUEHDQVJSGGN-YUMQZZPRSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1nc(Cl)cs1 ZINC001575927836 950759326 /nfs/dbraw/zinc/75/93/26/950759326.db2.gz VEHUEHDQVJSGGN-YUMQZZPRSA-N -1 1 391.848 1.482 20 0 GDADMM CC(C)c1ncncc1C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574764850 950765117 /nfs/dbraw/zinc/76/51/17/950765117.db2.gz ZYQDNMDBXXXNAR-LLVKDONJSA-N -1 1 382.432 1.143 20 0 GDADMM CC(C)c1ncncc1C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574764850 950765127 /nfs/dbraw/zinc/76/51/27/950765127.db2.gz ZYQDNMDBXXXNAR-LLVKDONJSA-N -1 1 382.432 1.143 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C2CCC2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576217680 950769225 /nfs/dbraw/zinc/76/92/25/950769225.db2.gz IPBIGEMESBSTBP-OLZOCXBDSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C2CCC2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576217680 950769242 /nfs/dbraw/zinc/76/92/42/950769242.db2.gz IPBIGEMESBSTBP-OLZOCXBDSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001574184141 950773989 /nfs/dbraw/zinc/77/39/89/950773989.db2.gz FUTVWPHROARQCB-GFCCVEGCSA-N -1 1 392.464 1.868 20 0 GDADMM CC(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001574184141 950774003 /nfs/dbraw/zinc/77/40/03/950774003.db2.gz FUTVWPHROARQCB-GFCCVEGCSA-N -1 1 392.464 1.868 20 0 GDADMM CC(C)CC[C@@H](NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C(C)(C)C ZINC001574184857 950788200 /nfs/dbraw/zinc/78/82/00/950788200.db2.gz PDZSIAZQLHZCHX-GFCCVEGCSA-N -1 1 377.449 1.096 20 0 GDADMM CC(C)(C)c1nc(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)co1 ZINC001573884126 950788447 /nfs/dbraw/zinc/78/84/47/950788447.db2.gz JGXXVRKKWZXCCW-JTQLQIEISA-N -1 1 383.416 1.269 20 0 GDADMM CC(C)(C)c1nc(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)co1 ZINC001573884126 950788463 /nfs/dbraw/zinc/78/84/63/950788463.db2.gz JGXXVRKKWZXCCW-JTQLQIEISA-N -1 1 383.416 1.269 20 0 GDADMM CC(C)(C)c1ccccc1C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573884148 950788629 /nfs/dbraw/zinc/78/86/29/950788629.db2.gz KAXGVGGNDKSOAX-ZDUSSCGKSA-N -1 1 392.467 1.963 20 0 GDADMM CC(C)(C)c1ccccc1C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573884148 950788642 /nfs/dbraw/zinc/78/86/42/950788642.db2.gz KAXGVGGNDKSOAX-ZDUSSCGKSA-N -1 1 392.467 1.963 20 0 GDADMM CC(C)(C)c1ncc(C(=O)Nc2ncc3c(c2-c2nn[n-]n2)COCC3)cn1 ZINC001573884666 950799412 /nfs/dbraw/zinc/79/94/12/950799412.db2.gz IBKCBPWBLBZLMO-UHFFFAOYSA-N -1 1 380.412 1.674 20 0 GDADMM C[C@H](CN(C)C(=O)c1ncoc1C(C)(C)C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574765927 950803533 /nfs/dbraw/zinc/80/35/33/950803533.db2.gz GGRXFMXUPRRALI-SNVBAGLBSA-N -1 1 385.432 1.515 20 0 GDADMM C[C@H](CN(C)C(=O)c1ncoc1C(C)(C)C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574765927 950803551 /nfs/dbraw/zinc/80/35/51/950803551.db2.gz GGRXFMXUPRRALI-SNVBAGLBSA-N -1 1 385.432 1.515 20 0 GDADMM CC(C)CCCC(=O)N1CCO[C@@H]([C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574186653 950815944 /nfs/dbraw/zinc/81/59/44/950815944.db2.gz HRVNYIGMJYFHGO-DZGCQCFKSA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)CCCC(=O)N1CCO[C@@H]([C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574186653 950815969 /nfs/dbraw/zinc/81/59/69/950815969.db2.gz HRVNYIGMJYFHGO-DZGCQCFKSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576220644 950834441 /nfs/dbraw/zinc/83/44/41/950834441.db2.gz RZCZKRIDZKZCCV-MWLCHTKSSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576220644 950834461 /nfs/dbraw/zinc/83/44/61/950834461.db2.gz RZCZKRIDZKZCCV-MWLCHTKSSA-N -1 1 378.387 1.351 20 0 GDADMM CC1(C)C[C@H](NC(=O)[C@H]2CC23CC3)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575638550 950839508 /nfs/dbraw/zinc/83/95/08/950839508.db2.gz HJMLZTQYTWOCIC-CHWSQXEVSA-N -1 1 382.472 1.568 20 0 GDADMM CC1(C)C[C@H](NC(=O)[C@H]2CC23CC3)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575638550 950839533 /nfs/dbraw/zinc/83/95/33/950839533.db2.gz HJMLZTQYTWOCIC-CHWSQXEVSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H]1CN(C(=O)C(=O)C(C)(C)C)CC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576221023 950840234 /nfs/dbraw/zinc/84/02/34/950840234.db2.gz YUXMRHBRFQKMSS-NEPJUHHUSA-N -1 1 386.460 1.168 20 0 GDADMM C[C@@H]1CN(C(=O)C(=O)C(C)(C)C)CC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576221023 950840259 /nfs/dbraw/zinc/84/02/59/950840259.db2.gz YUXMRHBRFQKMSS-NEPJUHHUSA-N -1 1 386.460 1.168 20 0 GDADMM CC(C)CCCC(=O)N1CCO[C@@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574188197 950843117 /nfs/dbraw/zinc/84/31/17/950843117.db2.gz SYPAGHRCTUVBGG-DZGCQCFKSA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)CCCC(=O)N1CCO[C@@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574188197 950843136 /nfs/dbraw/zinc/84/31/36/950843136.db2.gz SYPAGHRCTUVBGG-DZGCQCFKSA-N -1 1 388.476 1.511 20 0 GDADMM CC1(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)CC(C)(C)C2)CCC1 ZINC001575639060 950857217 /nfs/dbraw/zinc/85/72/17/950857217.db2.gz OHHSRWOLYLFOBO-CYBMUJFWSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)CC(C)(C)C2)CCC1 ZINC001575639060 950857243 /nfs/dbraw/zinc/85/72/43/950857243.db2.gz OHHSRWOLYLFOBO-CYBMUJFWSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(CC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)CC(F)F ZINC001573893620 950892486 /nfs/dbraw/zinc/89/24/86/950892486.db2.gz NQQIXWUAYGLHRL-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)(CC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)CC(F)F ZINC001573893620 950892492 /nfs/dbraw/zinc/89/24/92/950892492.db2.gz NQQIXWUAYGLHRL-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cnc(C2CC2)o1 ZINC001575935939 950904272 /nfs/dbraw/zinc/90/42/72/950904272.db2.gz CGHQFDHYLFRGBI-MWLCHTKSSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cnc(C2CC2)o1 ZINC001575935939 950904286 /nfs/dbraw/zinc/90/42/86/950904286.db2.gz CGHQFDHYLFRGBI-MWLCHTKSSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ocnc1C1CC1 ZINC001575936614 950922810 /nfs/dbraw/zinc/92/28/10/950922810.db2.gz GQXIWVDIVLKVIS-MWLCHTKSSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ocnc1C1CC1 ZINC001575936614 950922826 /nfs/dbraw/zinc/92/28/26/950922826.db2.gz GQXIWVDIVLKVIS-MWLCHTKSSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1csc(Cl)n1 ZINC001575938464 950983360 /nfs/dbraw/zinc/98/33/60/950983360.db2.gz NTPUTAITZOOZNM-YUMQZZPRSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1csc(Cl)n1 ZINC001575938464 950983366 /nfs/dbraw/zinc/98/33/66/950983366.db2.gz NTPUTAITZOOZNM-YUMQZZPRSA-N -1 1 391.848 1.482 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573899732 950989673 /nfs/dbraw/zinc/98/96/73/950989673.db2.gz JDHQYUIEMXWSJB-SECBINFHSA-N -1 1 384.366 1.070 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(C)(C)C)s1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575017392 950992106 /nfs/dbraw/zinc/99/21/06/950992106.db2.gz DVBVVMFXBBDBHK-SNVBAGLBSA-N -1 1 386.485 1.668 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)COCC1CCCC1 ZINC001575938860 950992561 /nfs/dbraw/zinc/99/25/61/950992561.db2.gz OUBUKBYGVSYXEB-TZMCWYRMSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)COCC1CCCC1 ZINC001575938860 950992574 /nfs/dbraw/zinc/99/25/74/950992574.db2.gz OUBUKBYGVSYXEB-TZMCWYRMSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)C1CCC(F)(F)CC1 ZINC001575938955 950996177 /nfs/dbraw/zinc/99/61/77/950996177.db2.gz PEEYRDGAUPUAAD-PWSUYJOCSA-N -1 1 392.414 1.884 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)C1CCC(F)(F)CC1 ZINC001575938955 950996184 /nfs/dbraw/zinc/99/61/84/950996184.db2.gz PEEYRDGAUPUAAD-PWSUYJOCSA-N -1 1 392.414 1.884 20 0 GDADMM CC(C)(C)CC(C)(C)N1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC001602859393 971710249 /nfs/dbraw/zinc/71/02/49/971710249.db2.gz JVMBSQPYHZIOLW-UHFFFAOYSA-N -1 1 389.562 1.860 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)F)o1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575019554 951040538 /nfs/dbraw/zinc/04/05/38/951040538.db2.gz ULJHKXKLPKSRLV-MRVPVSSYSA-N -1 1 378.343 1.087 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)cc1F)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575023303 951075112 /nfs/dbraw/zinc/07/51/12/951075112.db2.gz MKVFARZCLDIEER-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)cc1F)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575023303 951075123 /nfs/dbraw/zinc/07/51/23/951075123.db2.gz MKVFARZCLDIEER-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1ccc(N(C)C)cc1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575024292 951097983 /nfs/dbraw/zinc/09/79/83/951097983.db2.gz AADZVSXVXFNFON-LBPRGKRZSA-N -1 1 381.444 1.201 20 0 GDADMM C[C@H](CNC(=O)c1ccc(N(C)C)cc1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575024292 951097996 /nfs/dbraw/zinc/09/79/96/951097996.db2.gz AADZVSXVXFNFON-LBPRGKRZSA-N -1 1 381.444 1.201 20 0 GDADMM CC(C)Oc1ccc(C(=O)NC[C@H](C)Nc2nccnc2-c2nnn[n-]2)cc1 ZINC001575024660 951110879 /nfs/dbraw/zinc/11/08/79/951110879.db2.gz KDEOCVGKSXPHCJ-LBPRGKRZSA-N -1 1 382.428 1.674 20 0 GDADMM CC(C)Oc1ccc(C(=O)NC[C@H](C)Nc2nccnc2-c2nn[n-]n2)cc1 ZINC001575024660 951110889 /nfs/dbraw/zinc/11/08/89/951110889.db2.gz KDEOCVGKSXPHCJ-LBPRGKRZSA-N -1 1 382.428 1.674 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)C[C@H](C)O2)Nc1nccnc1-c1nnn[n-]1 ZINC001575025067 951125284 /nfs/dbraw/zinc/12/52/84/951125284.db2.gz UFGHAAJKCXZHEU-QWRGUYRKSA-N -1 1 380.412 1.211 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)C[C@H](C)O2)Nc1nccnc1-c1nn[n-]n1 ZINC001575025067 951125287 /nfs/dbraw/zinc/12/52/87/951125287.db2.gz UFGHAAJKCXZHEU-QWRGUYRKSA-N -1 1 380.412 1.211 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)cc1Cl)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575025299 951128733 /nfs/dbraw/zinc/12/87/33/951128733.db2.gz XISHBSJFTXAUPR-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)cc1Cl)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575025299 951128740 /nfs/dbraw/zinc/12/87/40/951128740.db2.gz XISHBSJFTXAUPR-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(Cl)c1F)Nc1nccnc1-c1nnn[n-]1 ZINC001575025966 951138238 /nfs/dbraw/zinc/13/82/38/951138238.db2.gz DMZVEIOIIOZRCD-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(Cl)c1F)Nc1nccnc1-c1nn[n-]n1 ZINC001575025966 951138247 /nfs/dbraw/zinc/13/82/47/951138247.db2.gz DMZVEIOIIOZRCD-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CNC(=O)c1cccc(F)c1Cl)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575026681 951145739 /nfs/dbraw/zinc/14/57/39/951145739.db2.gz MBGBZXDTJWNDKI-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@H](CNC(=O)c1cccc(F)c1Cl)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575026681 951145744 /nfs/dbraw/zinc/14/57/44/951145744.db2.gz MBGBZXDTJWNDKI-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(-c2cnco2)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575027051 951152802 /nfs/dbraw/zinc/15/28/02/951152802.db2.gz OXBOIUQRWSGNCH-NSHDSACASA-N -1 1 391.395 1.542 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(-c2cnco2)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575027051 951152808 /nfs/dbraw/zinc/15/28/08/951152808.db2.gz OXBOIUQRWSGNCH-NSHDSACASA-N -1 1 391.395 1.542 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2c1CCCC2)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575027703 951163198 /nfs/dbraw/zinc/16/31/98/951163198.db2.gz IGYSBUVWAKHVCI-CYBMUJFWSA-N -1 1 392.467 1.435 20 0 GDADMM CC(C)Oc1cccc(C(=O)NC[C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001575030000 951191227 /nfs/dbraw/zinc/19/12/27/951191227.db2.gz ZBXLUEKXNYSRQP-LLVKDONJSA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1cccc(C(=O)NC[C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001575030000 951191242 /nfs/dbraw/zinc/19/12/42/951191242.db2.gz ZBXLUEKXNYSRQP-LLVKDONJSA-N -1 1 383.416 1.069 20 0 GDADMM C[C@H](CNC(=O)c1cccc2c1O[C@H](C)C2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575030035 951192603 /nfs/dbraw/zinc/19/26/03/951192603.db2.gz ZINXQMPJNLRSCC-GHMZBOCLSA-N -1 1 380.412 1.211 20 0 GDADMM C[C@H](CNC(=O)c1cccc2c1O[C@H](C)C2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575030035 951192608 /nfs/dbraw/zinc/19/26/08/951192608.db2.gz ZINXQMPJNLRSCC-GHMZBOCLSA-N -1 1 380.412 1.211 20 0 GDADMM C[C@H](CNC(=O)c1ccccn1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001575031466 951194052 /nfs/dbraw/zinc/19/40/52/951194052.db2.gz ALUSBZMMVDBCDP-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@H](CNC(=O)c1ccccn1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001575031466 951194064 /nfs/dbraw/zinc/19/40/64/951194064.db2.gz ALUSBZMMVDBCDP-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@@H](CNC(=O)c1ccncc1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575034567 951250804 /nfs/dbraw/zinc/25/08/04/951250804.db2.gz NQRHIEKXFSFFTJ-QMMMGPOBSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@@H](CNC(=O)c1ccncc1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575034567 951250815 /nfs/dbraw/zinc/25/08/15/951250815.db2.gz NQRHIEKXFSFFTJ-QMMMGPOBSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@H](CNC(=O)c1cnc(C(C)(C)C)s1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575043597 951400603 /nfs/dbraw/zinc/40/06/03/951400603.db2.gz KPZNHOOLRLCJSD-SECBINFHSA-N -1 1 387.473 1.063 20 0 GDADMM CC(C)Oc1cncc(C(=O)NC[C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001575045742 951433217 /nfs/dbraw/zinc/43/32/17/951433217.db2.gz GNOIIWBWFWAJSH-LLVKDONJSA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1cncc(C(=O)NC[C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001575045742 951433223 /nfs/dbraw/zinc/43/32/23/951433223.db2.gz GNOIIWBWFWAJSH-LLVKDONJSA-N -1 1 383.416 1.069 20 0 GDADMM C[C@@H](CNC(=O)c1csc(Cl)c1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575055823 951512403 /nfs/dbraw/zinc/51/24/03/951512403.db2.gz AMOBNHODLPVSOX-MRVPVSSYSA-N -1 1 378.849 1.272 20 0 GDADMM C[C@H](CNC(=O)c1csc(Cl)c1)CNc1nccnc1-c1nnn[n-]1 ZINC001575057431 951526585 /nfs/dbraw/zinc/52/65/85/951526585.db2.gz PFSZTZPRUQAMQU-QMMMGPOBSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@H](CNC(=O)c1csc(Cl)c1)CNc1nccnc1-c1nn[n-]n1 ZINC001575057431 951526594 /nfs/dbraw/zinc/52/65/94/951526594.db2.gz PFSZTZPRUQAMQU-QMMMGPOBSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@@H](CNC(=O)c1coc(C(C)(C)C)n1)CNc1nccnc1-c1nnn[n-]1 ZINC001575057919 951533270 /nfs/dbraw/zinc/53/32/70/951533270.db2.gz SMBVKGKNUVKDMS-SNVBAGLBSA-N -1 1 385.432 1.420 20 0 GDADMM C[C@@H](CNC(=O)c1coc(C(C)(C)C)n1)CNc1nccnc1-c1nn[n-]n1 ZINC001575057919 951533277 /nfs/dbraw/zinc/53/32/77/951533277.db2.gz SMBVKGKNUVKDMS-SNVBAGLBSA-N -1 1 385.432 1.420 20 0 GDADMM C[C@@H](CNC(=O)c1csc2c1CCCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575060590 951542041 /nfs/dbraw/zinc/54/20/41/951542041.db2.gz AKSFFJINGMQTEF-JTQLQIEISA-N -1 1 384.469 1.827 20 0 GDADMM C[C@@H](CNC(=O)c1csc2c1CCCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575060590 951542047 /nfs/dbraw/zinc/54/20/47/951542047.db2.gz AKSFFJINGMQTEF-JTQLQIEISA-N -1 1 384.469 1.827 20 0 GDADMM C[C@H](CNC(=O)c1cscc1Cl)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575061891 951562846 /nfs/dbraw/zinc/56/28/46/951562846.db2.gz QKSKRLWDAJGNDU-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@H](CNC(=O)c1cscc1Cl)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575061891 951562851 /nfs/dbraw/zinc/56/28/51/951562851.db2.gz QKSKRLWDAJGNDU-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@H](CNC(=O)c1csnn1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575062108 951565611 /nfs/dbraw/zinc/56/56/11/951565611.db2.gz TYOACMCFLQCTHR-RXMQYKEDSA-N -1 1 385.866 1.083 20 0 GDADMM C[C@@H](CNC(=O)c1nc(Cl)cs1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575062387 951569617 /nfs/dbraw/zinc/56/96/17/951569617.db2.gz VQFIEOUHTCNFFE-ZETCQYMHSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@@H](CNC(=O)c1scnc1C(C)(C)C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575070522 951652448 /nfs/dbraw/zinc/65/24/48/951652448.db2.gz RAOLMUREWXKPAO-VIFPVBQESA-N -1 1 387.473 1.063 20 0 GDADMM O=C([O-])CNC(=O)CN1CCC([C@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1 ZINC001595097489 951832998 /nfs/dbraw/zinc/83/29/98/951832998.db2.gz NBCQHXUGPUGTLQ-SJORKVTESA-N -1 1 389.452 1.214 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(CC(=O)NCC(=O)[O-])CC2)CC1 ZINC001602890101 971799295 /nfs/dbraw/zinc/79/92/95/971799295.db2.gz WKGMHDRMEPEQSZ-HNNXBMFYSA-N -1 1 397.516 1.936 20 0 GDADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)[C@@H]1CC12CCCC2)C1CC1 ZINC001575128600 952069139 /nfs/dbraw/zinc/06/91/39/952069139.db2.gz JVXJAHPRGCDPHA-SCLBCKFNSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)[C@@H]1CC12CCCC2)C1CC1 ZINC001575128600 952069148 /nfs/dbraw/zinc/06/91/48/952069148.db2.gz JVXJAHPRGCDPHA-SCLBCKFNSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cc2n(c1)CCCC2 ZINC001575132153 952090798 /nfs/dbraw/zinc/09/07/98/952090798.db2.gz CZNFMUFQMLTKFS-GFCCVEGCSA-N -1 1 381.444 1.367 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cc2n(c1)CCCC2 ZINC001575132153 952090802 /nfs/dbraw/zinc/09/08/02/952090802.db2.gz CZNFMUFQMLTKFS-GFCCVEGCSA-N -1 1 381.444 1.367 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)Cc1cc(F)ccc1F ZINC001575132478 952094081 /nfs/dbraw/zinc/09/40/81/952094081.db2.gz FKLVMPIRPXTDPU-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)Cc1cc(F)ccc1F ZINC001575132478 952094086 /nfs/dbraw/zinc/09/40/86/952094086.db2.gz FKLVMPIRPXTDPU-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001575132917 952100824 /nfs/dbraw/zinc/10/08/24/952100824.db2.gz IJEWSZKUBZDEBR-YUELXQCFSA-N -1 1 378.440 1.719 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001575132917 952100830 /nfs/dbraw/zinc/10/08/30/952100830.db2.gz IJEWSZKUBZDEBR-YUELXQCFSA-N -1 1 378.440 1.719 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)CCCc1ccsc1 ZINC001575136305 952124600 /nfs/dbraw/zinc/12/46/00/952124600.db2.gz URNKOXXRCAGYMQ-GFCCVEGCSA-N -1 1 386.485 2.000 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)CCCc1ccsc1 ZINC001575136305 952124611 /nfs/dbraw/zinc/12/46/11/952124611.db2.gz URNKOXXRCAGYMQ-GFCCVEGCSA-N -1 1 386.485 2.000 20 0 GDADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)C1C=CC=CC=C1)C1CC1 ZINC001575137044 952132888 /nfs/dbraw/zinc/13/28/88/952132888.db2.gz SIIPOGYFXXHALB-LJQANCHMSA-N -1 1 378.440 1.074 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)C1Cc2ccccc2C1 ZINC001575154222 952217553 /nfs/dbraw/zinc/21/75/53/952217553.db2.gz QGDWRUJRYRCCHN-LBPRGKRZSA-N -1 1 378.440 1.331 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)C1Cc2ccccc2C1 ZINC001575154222 952217559 /nfs/dbraw/zinc/21/75/59/952217559.db2.gz QGDWRUJRYRCCHN-LBPRGKRZSA-N -1 1 378.440 1.331 20 0 GDADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)c1ccoc1Cl)C1CC1 ZINC001575154469 952223477 /nfs/dbraw/zinc/22/34/77/952223477.db2.gz DWQHQXAQVOBLGS-INIZCTEOSA-N -1 1 388.819 1.914 20 0 GDADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)c1ccoc1Cl)C1CC1 ZINC001575154469 952223483 /nfs/dbraw/zinc/22/34/83/952223483.db2.gz DWQHQXAQVOBLGS-INIZCTEOSA-N -1 1 388.819 1.914 20 0 GDADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)c1ccoc1Cl)C1CC1 ZINC001575154470 952224168 /nfs/dbraw/zinc/22/41/68/952224168.db2.gz DWQHQXAQVOBLGS-MRXNPFEDSA-N -1 1 388.819 1.914 20 0 GDADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)c1ccoc1Cl)C1CC1 ZINC001575154470 952224171 /nfs/dbraw/zinc/22/41/71/952224171.db2.gz DWQHQXAQVOBLGS-MRXNPFEDSA-N -1 1 388.819 1.914 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ccc2c(c1)COC2 ZINC001575154618 952228084 /nfs/dbraw/zinc/22/80/84/952228084.db2.gz FXGBHXQIJQUTAN-NSHDSACASA-N -1 1 380.412 1.260 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ccc2c(c1)COC2 ZINC001575154618 952228091 /nfs/dbraw/zinc/22/80/91/952228091.db2.gz FXGBHXQIJQUTAN-NSHDSACASA-N -1 1 380.412 1.260 20 0 GDADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)c1ccc(Cl)o1)C1CC1 ZINC001575155040 952233459 /nfs/dbraw/zinc/23/34/59/952233459.db2.gz WBHKHFDMRLXFKI-INIZCTEOSA-N -1 1 388.819 1.914 20 0 GDADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)c1ccc(Cl)o1)C1CC1 ZINC001575155040 952233464 /nfs/dbraw/zinc/23/34/64/952233464.db2.gz WBHKHFDMRLXFKI-INIZCTEOSA-N -1 1 388.819 1.914 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)CN(C)c1ccccc1 ZINC001575155157 952235043 /nfs/dbraw/zinc/23/50/43/952235043.db2.gz WUFOCPWATSNBQZ-CYBMUJFWSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)CN(C)c1ccccc1 ZINC001575155157 952235048 /nfs/dbraw/zinc/23/50/48/952235048.db2.gz WUFOCPWATSNBQZ-CYBMUJFWSA-N -1 1 381.444 1.052 20 0 GDADMM CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)NC3(CC(=O)[O-])CCC3)c2C1 ZINC001602895031 971815210 /nfs/dbraw/zinc/81/52/10/971815210.db2.gz NGLVFKSJACOXSF-UHFFFAOYSA-N -1 1 378.429 1.830 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cccnc1C1CC1 ZINC001575155567 952242459 /nfs/dbraw/zinc/24/24/59/952242459.db2.gz NMCKPQDEZDZVSD-LLVKDONJSA-N -1 1 379.428 1.502 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cccnc1C1CC1 ZINC001575155567 952242468 /nfs/dbraw/zinc/24/24/68/952242468.db2.gz NMCKPQDEZDZVSD-LLVKDONJSA-N -1 1 379.428 1.502 20 0 GDADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)C[C@H]1CCCOC1)C1CC1 ZINC001575155804 952243210 /nfs/dbraw/zinc/24/32/10/952243210.db2.gz PFRRQTHSJZYHNO-XIKOKIGWSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)C[C@H]1CCCOC1)C1CC1 ZINC001575155804 952243219 /nfs/dbraw/zinc/24/32/19/952243219.db2.gz PFRRQTHSJZYHNO-XIKOKIGWSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ccc2c(c1)CCO2 ZINC001575155816 952245624 /nfs/dbraw/zinc/24/56/24/952245624.db2.gz PHICSAYCRYYXMM-LLVKDONJSA-N -1 1 380.412 1.164 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ccc2c(c1)CCO2 ZINC001575155816 952245629 /nfs/dbraw/zinc/24/56/29/952245629.db2.gz PHICSAYCRYYXMM-LLVKDONJSA-N -1 1 380.412 1.164 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CC(C)(C)C(F)(F)F ZINC001575156391 952252258 /nfs/dbraw/zinc/25/22/58/952252258.db2.gz FFVRDRRKMLLZSF-SECBINFHSA-N -1 1 386.382 1.894 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CC(C)(C)C(F)(F)F ZINC001575156391 952252263 /nfs/dbraw/zinc/25/22/63/952252263.db2.gz FFVRDRRKMLLZSF-SECBINFHSA-N -1 1 386.382 1.894 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)[C@@H]1CC1(F)F ZINC001575164526 952294788 /nfs/dbraw/zinc/29/47/88/952294788.db2.gz FBYWLMXKBARMFV-WDSKDSINSA-N -1 1 377.808 1.891 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)[C@@H]1CC1(F)F ZINC001575164526 952294793 /nfs/dbraw/zinc/29/47/93/952294793.db2.gz FBYWLMXKBARMFV-WDSKDSINSA-N -1 1 377.808 1.891 20 0 GDADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)C[C@H]1CCCO1 ZINC001575165327 952307385 /nfs/dbraw/zinc/30/73/85/952307385.db2.gz NJZRSRNSMKZPOL-DTWKUNHWSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)CC[C@@H]1CCOC1)C1CC1 ZINC001575173953 952360258 /nfs/dbraw/zinc/36/02/58/952360258.db2.gz DFHYLPQAXTXWDE-XIKOKIGWSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)CC[C@@H]1CCOC1)C1CC1 ZINC001575173953 952360266 /nfs/dbraw/zinc/36/02/66/952360266.db2.gz DFHYLPQAXTXWDE-XIKOKIGWSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)[C@@H]1CC12CCCC2)C1CC1 ZINC001575174031 952361103 /nfs/dbraw/zinc/36/11/03/952361103.db2.gz FNEGYLJGGVJCJW-UGSOOPFHSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)[C@@H]1CC12CCCC2)C1CC1 ZINC001575174031 952361109 /nfs/dbraw/zinc/36/11/09/952361109.db2.gz FNEGYLJGGVJCJW-UGSOOPFHSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)C(C)(C)c1ccccc1 ZINC001575174486 952373122 /nfs/dbraw/zinc/37/31/22/952373122.db2.gz PJSVZNHVNAVAAD-CYBMUJFWSA-N -1 1 380.456 1.893 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)C(C)(C)c1ccccc1 ZINC001575174486 952373126 /nfs/dbraw/zinc/37/31/26/952373126.db2.gz PJSVZNHVNAVAAD-CYBMUJFWSA-N -1 1 380.456 1.893 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)CC1(C(F)(F)F)CC1 ZINC001575174962 952381484 /nfs/dbraw/zinc/38/14/84/952381484.db2.gz UWWBRKLJTAUION-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)CC1(C(F)(F)F)CC1 ZINC001575174962 952381492 /nfs/dbraw/zinc/38/14/92/952381492.db2.gz UWWBRKLJTAUION-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@](CO)(NC(=O)c1cccc(-c2nnn[n-]2)n1)c1cccc(C(F)(F)F)c1 ZINC001575177318 952401251 /nfs/dbraw/zinc/40/12/51/952401251.db2.gz LIGGVYQXMSIWIT-INIZCTEOSA-N -1 1 392.341 1.918 20 0 GDADMM C[C@@](CO)(NC(=O)c1cccc(-c2nn[n-]n2)n1)c1cccc(C(F)(F)F)c1 ZINC001575177318 952401253 /nfs/dbraw/zinc/40/12/53/952401253.db2.gz LIGGVYQXMSIWIT-INIZCTEOSA-N -1 1 392.341 1.918 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001575177473 952401469 /nfs/dbraw/zinc/40/14/69/952401469.db2.gz HRRZHOMKOZSWLL-AEGPPILISA-N -1 1 378.440 1.719 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001575177473 952401474 /nfs/dbraw/zinc/40/14/74/952401474.db2.gz HRRZHOMKOZSWLL-AEGPPILISA-N -1 1 378.440 1.719 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)[C@]1(F)CCOC1 ZINC001575178743 952407505 /nfs/dbraw/zinc/40/75/05/952407505.db2.gz MDZRZUSQOLTAGY-UHLUBPPHSA-N -1 1 389.844 1.364 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)[C@]1(F)CCOC1 ZINC001575178743 952407507 /nfs/dbraw/zinc/40/75/07/952407507.db2.gz MDZRZUSQOLTAGY-UHLUBPPHSA-N -1 1 389.844 1.364 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1c[nH]nc1C(C)(C)C ZINC001575179669 952412560 /nfs/dbraw/zinc/41/25/60/952412560.db2.gz QLYPJECJOVLBGH-JTQLQIEISA-N -1 1 384.448 1.250 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1c[nH]nc1C(C)(C)C ZINC001575179669 952412565 /nfs/dbraw/zinc/41/25/65/952412565.db2.gz QLYPJECJOVLBGH-JTQLQIEISA-N -1 1 384.448 1.250 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cc2ccccn2c1 ZINC001575180892 952419312 /nfs/dbraw/zinc/41/93/12/952419312.db2.gz WWOHLHUCOCLSEK-LBPRGKRZSA-N -1 1 377.412 1.482 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cc2ccccn2c1 ZINC001575180892 952419318 /nfs/dbraw/zinc/41/93/18/952419318.db2.gz WWOHLHUCOCLSEK-LBPRGKRZSA-N -1 1 377.412 1.482 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cc2ccccn2c1 ZINC001575180891 952419595 /nfs/dbraw/zinc/41/95/95/952419595.db2.gz WWOHLHUCOCLSEK-GFCCVEGCSA-N -1 1 377.412 1.482 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cc2ccccn2c1 ZINC001575180891 952419597 /nfs/dbraw/zinc/41/95/97/952419597.db2.gz WWOHLHUCOCLSEK-GFCCVEGCSA-N -1 1 377.412 1.482 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575188020 952445046 /nfs/dbraw/zinc/44/50/46/952445046.db2.gz GQNYCZOWANXHCG-CHWSQXEVSA-N -1 1 382.428 1.389 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575188020 952445051 /nfs/dbraw/zinc/44/50/51/952445051.db2.gz GQNYCZOWANXHCG-CHWSQXEVSA-N -1 1 382.428 1.389 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575196155 952474466 /nfs/dbraw/zinc/47/44/66/952474466.db2.gz DWAOIUAHPFQIKV-AVGNSLFASA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575196155 952474470 /nfs/dbraw/zinc/47/44/70/952474470.db2.gz DWAOIUAHPFQIKV-AVGNSLFASA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575196148 952474510 /nfs/dbraw/zinc/47/45/10/952474510.db2.gz DTNFMUSICUTZMW-ZDUSSCGKSA-N -1 1 382.428 1.167 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575196148 952474514 /nfs/dbraw/zinc/47/45/14/952474514.db2.gz DTNFMUSICUTZMW-ZDUSSCGKSA-N -1 1 382.428 1.167 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575196147 952474701 /nfs/dbraw/zinc/47/47/01/952474701.db2.gz DTNFMUSICUTZMW-CYBMUJFWSA-N -1 1 382.428 1.167 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575196147 952474704 /nfs/dbraw/zinc/47/47/04/952474704.db2.gz DTNFMUSICUTZMW-CYBMUJFWSA-N -1 1 382.428 1.167 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575197085 952479177 /nfs/dbraw/zinc/47/91/77/952479177.db2.gz MYUIECDHDUUQEV-CHWSQXEVSA-N -1 1 382.428 1.071 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575197085 952479178 /nfs/dbraw/zinc/47/91/78/952479178.db2.gz MYUIECDHDUUQEV-CHWSQXEVSA-N -1 1 382.428 1.071 20 0 GDADMM COc1ncc(NC(=O)N[C@@](C)(CO)C2CCCCC2)cc1-c1nn[n-]n1 ZINC001571117112 952479783 /nfs/dbraw/zinc/47/97/83/952479783.db2.gz GVZPRVVYDSRWFX-KRWDZBQOSA-N -1 1 375.433 1.723 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001575197174 952480781 /nfs/dbraw/zinc/48/07/81/952480781.db2.gz OKMAOEAIWRUIJH-UPJWGTAASA-N -1 1 382.428 1.435 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001575197174 952480785 /nfs/dbraw/zinc/48/07/85/952480785.db2.gz OKMAOEAIWRUIJH-UPJWGTAASA-N -1 1 382.428 1.435 20 0 GDADMM CC1(C(=O)N[C@@H]2Cc3ccccc3[C@H]2Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571120734 952508490 /nfs/dbraw/zinc/50/84/90/952508490.db2.gz QIUPXODKKIHUMA-CZUORRHYSA-N -1 1 376.424 1.651 20 0 GDADMM CC1(C(=O)N[C@@H]2Cc3ccccc3[C@H]2Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571120734 952508499 /nfs/dbraw/zinc/50/84/99/952508499.db2.gz QIUPXODKKIHUMA-CZUORRHYSA-N -1 1 376.424 1.651 20 0 GDADMM Cc1nsc(N[C@@H]2CCN(C(=O)c3cncs3)[C@H]2C)c1-c1nn[n-]n1 ZINC001571121896 952522745 /nfs/dbraw/zinc/52/27/45/952522745.db2.gz DLAWRCWPVWGTIC-DTWKUNHWSA-N -1 1 376.471 1.803 20 0 GDADMM Cc1nsc(N[C@H]2CCCN(C(=O)c3ccsn3)C2)c1-c1nn[n-]n1 ZINC001571122255 952523974 /nfs/dbraw/zinc/52/39/74/952523974.db2.gz HVNFHMXGQYPFOW-VIFPVBQESA-N -1 1 376.471 1.805 20 0 GDADMM Cc1nscc1C(=O)N[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571123065 952528248 /nfs/dbraw/zinc/52/82/48/952528248.db2.gz NFTSUJUPRVBOGA-SECBINFHSA-N -1 1 376.471 1.405 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1)c1ccncc1 ZINC001571123355 952528862 /nfs/dbraw/zinc/52/88/62/952528862.db2.gz QNIQANYUNDSVLO-DTORHVGOSA-N -1 1 376.833 1.745 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1)c1ccncc1 ZINC001571123355 952528866 /nfs/dbraw/zinc/52/88/66/952528866.db2.gz QNIQANYUNDSVLO-DTORHVGOSA-N -1 1 376.833 1.745 20 0 GDADMM CCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCN(C(=O)[C@H](C)SC)CC1 ZINC001571123786 952532004 /nfs/dbraw/zinc/53/20/04/952532004.db2.gz VWPLGEYUWZKEET-NSHDSACASA-N -1 1 376.490 1.591 20 0 GDADMM CCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCN(C(=O)[C@H](C)SC)CC1 ZINC001571123786 952532009 /nfs/dbraw/zinc/53/20/09/952532009.db2.gz VWPLGEYUWZKEET-NSHDSACASA-N -1 1 376.490 1.591 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575214051 952561225 /nfs/dbraw/zinc/56/12/25/952561225.db2.gz GEBNXGZZARUCRW-MGCOHNPYSA-N -1 1 380.403 1.067 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575215059 952567644 /nfs/dbraw/zinc/56/76/44/952567644.db2.gz SHJAMPATCJIYBS-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575215059 952567651 /nfs/dbraw/zinc/56/76/51/952567651.db2.gz SHJAMPATCJIYBS-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCC1 ZINC001575215859 952569368 /nfs/dbraw/zinc/56/93/68/952569368.db2.gz XGNAHQFOQRVZNV-UHFFFAOYSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCC1 ZINC001575215859 952569371 /nfs/dbraw/zinc/56/93/71/952569371.db2.gz XGNAHQFOQRVZNV-UHFFFAOYSA-N -1 1 380.403 1.789 20 0 GDADMM Cc1nsc(N[C@@H]2CN(C(=O)[C@H]3CCCOC3)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571128766 952570189 /nfs/dbraw/zinc/57/01/89/952570189.db2.gz XLUKJEOTYKSZOT-ADEWGFFLSA-N -1 1 377.474 1.317 20 0 GDADMM O=C(CC1CC(F)(F)C1)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571129778 952576874 /nfs/dbraw/zinc/57/68/74/952576874.db2.gz IORWEDMQHGIRAI-NSHDSACASA-N -1 1 378.387 1.495 20 0 GDADMM O=C(CC1CC(F)(F)C1)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571129778 952576877 /nfs/dbraw/zinc/57/68/77/952576877.db2.gz IORWEDMQHGIRAI-NSHDSACASA-N -1 1 378.387 1.495 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C2CCN(C(=O)[C@@H]3CC3(F)F)CC2)n1 ZINC001571129853 952577563 /nfs/dbraw/zinc/57/75/63/952577563.db2.gz KQZLJJLLNVDVAA-NSHDSACASA-N -1 1 378.387 1.048 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C2CCN(C(=O)[C@@H]3CC3(F)F)CC2)n1 ZINC001571129853 952577567 /nfs/dbraw/zinc/57/75/67/952577567.db2.gz KQZLJJLLNVDVAA-NSHDSACASA-N -1 1 378.387 1.048 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCCCN2C(=O)[C@@H]2CC2(F)F)n1 ZINC001571130566 952581121 /nfs/dbraw/zinc/58/11/21/952581121.db2.gz TWEHAGHCNSLWJP-MNOVXSKESA-N -1 1 378.387 1.413 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCCCN2C(=O)[C@@H]2CC2(F)F)n1 ZINC001571130566 952581125 /nfs/dbraw/zinc/58/11/25/952581125.db2.gz TWEHAGHCNSLWJP-MNOVXSKESA-N -1 1 378.387 1.413 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)[C@@H]2C)cc1 ZINC001571134206 952586955 /nfs/dbraw/zinc/58/69/55/952586955.db2.gz GEQVXMAZGODICT-HIFRSBDPSA-N -1 1 378.440 1.752 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)[C@@H]2C)cc1 ZINC001571134206 952586958 /nfs/dbraw/zinc/58/69/58/952586958.db2.gz GEQVXMAZGODICT-HIFRSBDPSA-N -1 1 378.440 1.752 20 0 GDADMM Cc1cccc(C(=O)N[C@H]2CCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571134373 952589649 /nfs/dbraw/zinc/58/96/49/952589649.db2.gz HVSHEOVYUOWKKP-CABCVRRESA-N -1 1 378.440 1.540 20 0 GDADMM Cc1ccccc1[C@@H](C)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571134510 952592256 /nfs/dbraw/zinc/59/22/56/952592256.db2.gz JMZRMCZNUDOOOZ-ZIAGYGMSSA-N -1 1 378.440 1.464 20 0 GDADMM Cc1ccccc1[C@@H](C)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571134510 952592258 /nfs/dbraw/zinc/59/22/58/952592258.db2.gz JMZRMCZNUDOOOZ-ZIAGYGMSSA-N -1 1 378.440 1.464 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccccc2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571134625 952592929 /nfs/dbraw/zinc/59/29/29/952592929.db2.gz ISHYMWIGLQJUQN-DZGCQCFKSA-N -1 1 378.440 1.867 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccccc2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571134625 952592931 /nfs/dbraw/zinc/59/29/31/952592931.db2.gz ISHYMWIGLQJUQN-DZGCQCFKSA-N -1 1 378.440 1.867 20 0 GDADMM CC[C@H]1CN(C(=O)c2ccccc2)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571134949 952597352 /nfs/dbraw/zinc/59/73/52/952597352.db2.gz NXXMHJBSYLDXKI-DZGCQCFKSA-N -1 1 378.440 1.431 20 0 GDADMM CCc1ccc(C(=O)N[C@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)cc1 ZINC001571134997 952598556 /nfs/dbraw/zinc/59/85/56/952598556.db2.gz OMOBPDWZSLNWFI-HNNXBMFYSA-N -1 1 378.440 1.536 20 0 GDADMM CCc1ccc(C(=O)N[C@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571134997 952598558 /nfs/dbraw/zinc/59/85/58/952598558.db2.gz OMOBPDWZSLNWFI-HNNXBMFYSA-N -1 1 378.440 1.536 20 0 GDADMM CCc1ccc(C(=O)N[C@H]2C[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)cc1 ZINC001571135087 952599336 /nfs/dbraw/zinc/59/93/36/952599336.db2.gz PACYRBWKRZWGTR-SHTZXODSSA-N -1 1 378.440 1.900 20 0 GDADMM CCc1ccc(C(=O)N[C@H]2C[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571135087 952599340 /nfs/dbraw/zinc/59/93/40/952599340.db2.gz PACYRBWKRZWGTR-SHTZXODSSA-N -1 1 378.440 1.900 20 0 GDADMM C[C@H](C(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)c1ccccc1 ZINC001571135181 952600902 /nfs/dbraw/zinc/60/09/02/952600902.db2.gz QTSQVJHIDCFZQM-ZDUSSCGKSA-N -1 1 378.440 1.285 20 0 GDADMM Cc1ccc(C)c(CC(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571135382 952603320 /nfs/dbraw/zinc/60/33/20/952603320.db2.gz WLJNSKBNGJFDNC-HNNXBMFYSA-N -1 1 378.440 1.211 20 0 GDADMM Cc1ccc(C)c(CC(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571135382 952603324 /nfs/dbraw/zinc/60/33/24/952603324.db2.gz WLJNSKBNGJFDNC-HNNXBMFYSA-N -1 1 378.440 1.211 20 0 GDADMM C[C@H]1CC[C@H](NC(=O)C2C=CC=CC=C2)CN1c1nccnc1-c1nnn[n-]1 ZINC001571135549 952605496 /nfs/dbraw/zinc/60/54/96/952605496.db2.gz WJJJRWJZUKBVAO-ZFWWWQNUSA-N -1 1 378.440 1.429 20 0 GDADMM C[C@H]1CC[C@H](NC(=O)C2C=CC=CC=C2)CN1c1nccnc1-c1nn[n-]n1 ZINC001571135549 952605497 /nfs/dbraw/zinc/60/54/97/952605497.db2.gz WJJJRWJZUKBVAO-ZFWWWQNUSA-N -1 1 378.440 1.429 20 0 GDADMM Cc1cc(C)cc(C(=O)N2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C[C@H]2C)c1 ZINC001571135608 952605922 /nfs/dbraw/zinc/60/59/22/952605922.db2.gz YPWNQYUQAJUVRD-HIFRSBDPSA-N -1 1 378.440 1.989 20 0 GDADMM Cc1cc(C)cc(C(=O)N2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C[C@H]2C)c1 ZINC001571135608 952605927 /nfs/dbraw/zinc/60/59/27/952605927.db2.gz YPWNQYUQAJUVRD-HIFRSBDPSA-N -1 1 378.440 1.989 20 0 GDADMM COc1ncc(NC(=O)c2ccccc2N2CCCC2=O)cc1-c1nn[n-]n1 ZINC001571140670 952627910 /nfs/dbraw/zinc/62/79/10/952627910.db2.gz RRZUXHWHXDNWPK-UHFFFAOYSA-N -1 1 379.380 1.649 20 0 GDADMM Cn1cccc1C(=O)NC1CC2(C1)CC(Nc1cncc(-c3nnn[n-]3)n1)C2 ZINC001571146575 952650395 /nfs/dbraw/zinc/65/03/95/952650395.db2.gz IZKLEZTVFRKKSC-UHFFFAOYSA-N -1 1 379.428 1.148 20 0 GDADMM Cn1cccc1C(=O)NC1CC2(C1)CC(Nc1cncc(-c3nn[n-]n3)n1)C2 ZINC001571146575 952650396 /nfs/dbraw/zinc/65/03/96/952650396.db2.gz IZKLEZTVFRKKSC-UHFFFAOYSA-N -1 1 379.428 1.148 20 0 GDADMM O=C(CCc1cccnc1)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571146905 952654638 /nfs/dbraw/zinc/65/46/38/952654638.db2.gz PNMNTSVVKHWHQV-AWEZNQCLSA-N -1 1 379.428 1.087 20 0 GDADMM O=C(CCc1cccnc1)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571146905 952654640 /nfs/dbraw/zinc/65/46/40/952654640.db2.gz PNMNTSVVKHWHQV-AWEZNQCLSA-N -1 1 379.428 1.087 20 0 GDADMM O=C(c1cc2c([nH]1)CCC2)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571147085 952656749 /nfs/dbraw/zinc/65/67/49/952656749.db2.gz SOKBLAUPBTYEFL-GFCCVEGCSA-N -1 1 379.428 1.190 20 0 GDADMM O=C(c1cc2c([nH]1)CCC2)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571147085 952656753 /nfs/dbraw/zinc/65/67/53/952656753.db2.gz SOKBLAUPBTYEFL-GFCCVEGCSA-N -1 1 379.428 1.190 20 0 GDADMM CC(C)c1ccc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)nc1 ZINC001571148246 952666555 /nfs/dbraw/zinc/66/65/55/952666555.db2.gz WXLUGAVHHHADOJ-ZDUSSCGKSA-N -1 1 379.428 1.502 20 0 GDADMM CC(C)c1ccc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)nc1 ZINC001571148246 952666559 /nfs/dbraw/zinc/66/65/59/952666559.db2.gz WXLUGAVHHHADOJ-ZDUSSCGKSA-N -1 1 379.428 1.502 20 0 GDADMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H]1CCCCN1C(=O)c1ccccn1 ZINC001571148433 952667139 /nfs/dbraw/zinc/66/71/39/952667139.db2.gz ZMCGSCCERMWLJX-SWLSCSKDSA-N -1 1 379.428 1.547 20 0 GDADMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H]1CCCCN1C(=O)c1ccccn1 ZINC001571148433 952667140 /nfs/dbraw/zinc/66/71/40/952667140.db2.gz ZMCGSCCERMWLJX-SWLSCSKDSA-N -1 1 379.428 1.547 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C(F)F)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571155049 952691756 /nfs/dbraw/zinc/69/17/56/952691756.db2.gz FQIRQANQGHRRMC-NXEZZACHSA-N -1 1 380.403 1.454 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C(F)F)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571155049 952691760 /nfs/dbraw/zinc/69/17/60/952691760.db2.gz FQIRQANQGHRRMC-NXEZZACHSA-N -1 1 380.403 1.454 20 0 GDADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1)c1ccc(F)cc1 ZINC001571155432 952696571 /nfs/dbraw/zinc/69/65/71/952696571.db2.gz RQXZSHGGDAGGOW-NFAWXSAZSA-N -1 1 380.387 1.336 20 0 GDADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1)c1ccc(F)cc1 ZINC001571155432 952696573 /nfs/dbraw/zinc/69/65/73/952696573.db2.gz RQXZSHGGDAGGOW-NFAWXSAZSA-N -1 1 380.387 1.336 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@@H]1CCCCN1C(=O)CC(C)(F)F ZINC001571155525 952698121 /nfs/dbraw/zinc/69/81/21/952698121.db2.gz VNMBVBCPFZNZFT-MNOVXSKESA-N -1 1 380.403 1.884 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@@H]1CCCCN1C(=O)CC(C)(F)F ZINC001571155525 952698122 /nfs/dbraw/zinc/69/81/22/952698122.db2.gz VNMBVBCPFZNZFT-MNOVXSKESA-N -1 1 380.403 1.884 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CC[C@H]2[C@@H](CCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001571156627 952702180 /nfs/dbraw/zinc/70/21/80/952702180.db2.gz FLFNSLGARZQIMG-STQMWFEESA-N -1 1 379.428 1.034 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CC[C@H]2[C@@H](CCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001571156627 952702186 /nfs/dbraw/zinc/70/21/86/952702186.db2.gz FLFNSLGARZQIMG-STQMWFEESA-N -1 1 379.428 1.034 20 0 GDADMM Cc1cc(C)nc(C(=O)N2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C[C@@H]2C)c1 ZINC001571156730 952704905 /nfs/dbraw/zinc/70/49/05/952704905.db2.gz ICOKIYMQHAWCPX-STQMWFEESA-N -1 1 379.428 1.384 20 0 GDADMM Cc1cc(C)nc(C(=O)N2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C[C@@H]2C)c1 ZINC001571156730 952704908 /nfs/dbraw/zinc/70/49/08/952704908.db2.gz ICOKIYMQHAWCPX-STQMWFEESA-N -1 1 379.428 1.384 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)[C@H]2C)n1 ZINC001571157218 952706764 /nfs/dbraw/zinc/70/67/64/952706764.db2.gz NMWMNTRPZDZTRV-CHWSQXEVSA-N -1 1 379.428 1.384 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)[C@H]2C)n1 ZINC001571157218 952706766 /nfs/dbraw/zinc/70/67/66/952706766.db2.gz NMWMNTRPZDZTRV-CHWSQXEVSA-N -1 1 379.428 1.384 20 0 GDADMM Cc1coc(C(=O)N2CC[C@H]3CN(c4nc(C)cc(-c5nnn[n-]5)n4)C[C@H]32)c1 ZINC001571160244 952724014 /nfs/dbraw/zinc/72/40/14/952724014.db2.gz FSZLPAOEHRAQLV-GXTWGEPZSA-N -1 1 380.412 1.217 20 0 GDADMM Cc1coc(C(=O)N2CC[C@H]3CN(c4nc(C)cc(-c5nn[n-]n5)n4)C[C@H]32)c1 ZINC001571160244 952724015 /nfs/dbraw/zinc/72/40/15/952724015.db2.gz FSZLPAOEHRAQLV-GXTWGEPZSA-N -1 1 380.412 1.217 20 0 GDADMM O=C(Cc1ccoc1)N[C@@]12CCC[C@@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001571160501 952726218 /nfs/dbraw/zinc/72/62/18/952726218.db2.gz INQPVEYOQPICHU-KBXCAEBGSA-N -1 1 380.412 1.110 20 0 GDADMM O=C(Cc1ccoc1)N[C@@]12CCC[C@@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001571160501 952726220 /nfs/dbraw/zinc/72/62/20/952726220.db2.gz INQPVEYOQPICHU-KBXCAEBGSA-N -1 1 380.412 1.110 20 0 GDADMM C[C@@H]1CN(C(=O)c2cnc(C3CC3)o2)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571170770 952787995 /nfs/dbraw/zinc/78/79/95/952787995.db2.gz LKHOJHBZGNJFGP-SKDRFNHKSA-N -1 1 381.400 1.095 20 0 GDADMM C[C@@H]1CN(C(=O)c2cnc(C3CC3)o2)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571170770 952787998 /nfs/dbraw/zinc/78/79/98/952787998.db2.gz LKHOJHBZGNJFGP-SKDRFNHKSA-N -1 1 381.400 1.095 20 0 GDADMM O=C(C1CC2(CCC2)C1)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571172562 952808299 /nfs/dbraw/zinc/80/82/99/952808299.db2.gz XFOMCWDVBAZRKZ-OKILXGFUSA-N -1 1 380.456 1.132 20 0 GDADMM O=C(NCC1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ocnc1C1CC1 ZINC001571176287 952829127 /nfs/dbraw/zinc/82/91/27/952829127.db2.gz NVGGWSNUNFBNHC-UHFFFAOYSA-N -1 1 381.400 1.143 20 0 GDADMM O=C(NCC1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ocnc1C1CC1 ZINC001571176287 952829133 /nfs/dbraw/zinc/82/91/33/952829133.db2.gz NVGGWSNUNFBNHC-UHFFFAOYSA-N -1 1 381.400 1.143 20 0 GDADMM O=C(NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1)c1ncoc1C1CC1 ZINC001571176613 952833398 /nfs/dbraw/zinc/83/33/98/952833398.db2.gz WAOMKRUYFNVSDR-UHFFFAOYSA-N -1 1 381.400 1.143 20 0 GDADMM O=C(NCC1CC(Nc2cncc(-c3nn[n-]n3)n2)C1)c1ncoc1C1CC1 ZINC001571176613 952833407 /nfs/dbraw/zinc/83/34/07/952833407.db2.gz WAOMKRUYFNVSDR-UHFFFAOYSA-N -1 1 381.400 1.143 20 0 GDADMM C[C@H]1CN(C(=O)Cc2ccc[nH]2)CC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571183602 952880632 /nfs/dbraw/zinc/88/06/32/952880632.db2.gz FKZPRLCPOXPPFT-STQMWFEESA-N -1 1 381.444 1.124 20 0 GDADMM C[C@H]1CN(C(=O)Cc2ccc[nH]2)CC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571183602 952880638 /nfs/dbraw/zinc/88/06/38/952880638.db2.gz FKZPRLCPOXPPFT-STQMWFEESA-N -1 1 381.444 1.124 20 0 GDADMM CCc1nc(NC[C@H]2CCCN2C(=O)c2ccn(C)c2)cc(-c2nnn[n-]2)n1 ZINC001571183908 952884642 /nfs/dbraw/zinc/88/46/42/952884642.db2.gz MTBWCHONJFADCP-CYBMUJFWSA-N -1 1 381.444 1.274 20 0 GDADMM CCc1nc(NC[C@H]2CCCN2C(=O)c2ccn(C)c2)cc(-c2nn[n-]n2)n1 ZINC001571183908 952884644 /nfs/dbraw/zinc/88/46/44/952884644.db2.gz MTBWCHONJFADCP-CYBMUJFWSA-N -1 1 381.444 1.274 20 0 GDADMM CCCc1[nH]ccc1C(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571183971 952886082 /nfs/dbraw/zinc/88/60/82/952886082.db2.gz NUQCDHPZDXSFKT-GFCCVEGCSA-N -1 1 381.444 1.512 20 0 GDADMM CCCc1[nH]ccc1C(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571183971 952886088 /nfs/dbraw/zinc/88/60/88/952886088.db2.gz NUQCDHPZDXSFKT-GFCCVEGCSA-N -1 1 381.444 1.512 20 0 GDADMM CCN(C(=O)c1cc(C)[nH]c1C)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571184185 952889316 /nfs/dbraw/zinc/88/93/16/952889316.db2.gz SUPJWCMADRCVLA-CYBMUJFWSA-N -1 1 381.444 1.343 20 0 GDADMM CCN(C(=O)c1cc(C)[nH]c1C)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571184185 952889319 /nfs/dbraw/zinc/88/93/19/952889319.db2.gz SUPJWCMADRCVLA-CYBMUJFWSA-N -1 1 381.444 1.343 20 0 GDADMM Cc1cc(C(=O)N2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C[C@@H]2C)c(C)n1C ZINC001571184996 952898704 /nfs/dbraw/zinc/89/87/04/952898704.db2.gz GMOPIVKFEXUHSD-AAEUAGOBSA-N -1 1 381.444 1.327 20 0 GDADMM Cc1cc(C(=O)N2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C[C@@H]2C)c(C)n1C ZINC001571184996 952898708 /nfs/dbraw/zinc/89/87/08/952898708.db2.gz GMOPIVKFEXUHSD-AAEUAGOBSA-N -1 1 381.444 1.327 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)[C@H]2CCCN(C(=O)c3cc[nH]c3)C2)n1 ZINC001571185127 952900302 /nfs/dbraw/zinc/90/03/02/952900302.db2.gz IUJINWPGDZLDPM-OCCSQVGLSA-N -1 1 381.444 1.646 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)[C@H]2CCCN(C(=O)c3cc[nH]c3)C2)n1 ZINC001571185127 952900303 /nfs/dbraw/zinc/90/03/03/952900303.db2.gz IUJINWPGDZLDPM-OCCSQVGLSA-N -1 1 381.444 1.646 20 0 GDADMM CCn1ccc(C(=O)NC[C@H]2CCCN2c2nccnc2-c2nnn[n-]2)c1C ZINC001571185733 952903109 /nfs/dbraw/zinc/90/31/09/952903109.db2.gz OZAXQHDGEGZNGV-CYBMUJFWSA-N -1 1 381.444 1.185 20 0 GDADMM CCn1ccc(C(=O)NC[C@H]2CCCN2c2nccnc2-c2nn[n-]n2)c1C ZINC001571185733 952903111 /nfs/dbraw/zinc/90/31/11/952903111.db2.gz OZAXQHDGEGZNGV-CYBMUJFWSA-N -1 1 381.444 1.185 20 0 GDADMM Cc1cc(C)c(C(=O)N2C[C@H](C)[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)[nH]1 ZINC001571187732 952910023 /nfs/dbraw/zinc/91/00/23/952910023.db2.gz BGGCGPHBZYXBEM-WCQYABFASA-N -1 1 381.444 1.422 20 0 GDADMM Cc1cc(C)c(C(=O)N2C[C@H](C)[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)[nH]1 ZINC001571187732 952910028 /nfs/dbraw/zinc/91/00/28/952910028.db2.gz BGGCGPHBZYXBEM-WCQYABFASA-N -1 1 381.444 1.422 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2Nc2ccc(-c3nnn[n-]3)nn2)c(C)[nH]1 ZINC001571188845 952920907 /nfs/dbraw/zinc/92/09/07/952920907.db2.gz OAVRHIWURMYRBT-ZIAGYGMSSA-N -1 1 381.444 1.755 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2Nc2ccc(-c3nn[n-]n3)nn2)c(C)[nH]1 ZINC001571188845 952920911 /nfs/dbraw/zinc/92/09/11/952920911.db2.gz OAVRHIWURMYRBT-ZIAGYGMSSA-N -1 1 381.444 1.755 20 0 GDADMM Cc1ccn(C)c1C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)[C@H](C)C1 ZINC001571189061 952924428 /nfs/dbraw/zinc/92/44/28/952924428.db2.gz RHSMLOXJVSBMRD-CHWSQXEVSA-N -1 1 381.444 1.266 20 0 GDADMM Cc1ccn(C)c1C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)[C@H](C)C1 ZINC001571189061 952924435 /nfs/dbraw/zinc/92/44/35/952924435.db2.gz RHSMLOXJVSBMRD-CHWSQXEVSA-N -1 1 381.444 1.266 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CC[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)c(C)[nH]1 ZINC001571189244 952926838 /nfs/dbraw/zinc/92/68/38/952926838.db2.gz TZBGMSMUYQJXJU-OLZOCXBDSA-N -1 1 381.444 1.612 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CC[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)c(C)[nH]1 ZINC001571189244 952926841 /nfs/dbraw/zinc/92/68/41/952926841.db2.gz TZBGMSMUYQJXJU-OLZOCXBDSA-N -1 1 381.444 1.612 20 0 GDADMM Cc1cc[nH]c1C(=O)NC[C@H]1CCCCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571189502 952930177 /nfs/dbraw/zinc/93/01/77/952930177.db2.gz WGWMJPCKXKZAGF-CYBMUJFWSA-N -1 1 381.444 1.472 20 0 GDADMM Cc1cc[nH]c1C(=O)NC[C@H]1CCCCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571189502 952930185 /nfs/dbraw/zinc/93/01/85/952930185.db2.gz WGWMJPCKXKZAGF-CYBMUJFWSA-N -1 1 381.444 1.472 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CC[C@H](C)N(c3cncc(-c4nnn[n-]4)n3)C2)n1C ZINC001571189520 952930992 /nfs/dbraw/zinc/93/09/92/952930992.db2.gz WPLLBTXFYSXOMD-STQMWFEESA-N -1 1 381.444 1.091 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CC[C@H](C)N(c3cncc(-c4nn[n-]n4)n3)C2)n1C ZINC001571189520 952930997 /nfs/dbraw/zinc/93/09/97/952930997.db2.gz WPLLBTXFYSXOMD-STQMWFEESA-N -1 1 381.444 1.091 20 0 GDADMM O=C(CC1CC1)N1C[C@@H](C(F)(F)F)[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571194299 952960877 /nfs/dbraw/zinc/96/08/77/952960877.db2.gz JVOIZPQHHXZPDT-MWLCHTKSSA-N -1 1 382.350 1.258 20 0 GDADMM O=C(CC1CC1)N1C[C@@H](C(F)(F)F)[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571194299 952960879 /nfs/dbraw/zinc/96/08/79/952960879.db2.gz JVOIZPQHHXZPDT-MWLCHTKSSA-N -1 1 382.350 1.258 20 0 GDADMM Cc1ccc(F)c(C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571195459 952976290 /nfs/dbraw/zinc/97/62/90/952976290.db2.gz AEXYELHIJMUPKA-IAQYHMDHSA-N -1 1 382.403 1.677 20 0 GDADMM Cc1ccc(F)c(C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571195459 952976293 /nfs/dbraw/zinc/97/62/93/952976293.db2.gz AEXYELHIJMUPKA-IAQYHMDHSA-N -1 1 382.403 1.677 20 0 GDADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)c2cccc(F)c2)CC1 ZINC001571196147 952980122 /nfs/dbraw/zinc/98/01/22/952980122.db2.gz HVRXOBKSJFBUFW-UHFFFAOYSA-N -1 1 382.403 1.903 20 0 GDADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)c2cccc(F)c2)CC1 ZINC001571196147 952980127 /nfs/dbraw/zinc/98/01/27/952980127.db2.gz HVRXOBKSJFBUFW-UHFFFAOYSA-N -1 1 382.403 1.903 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)c3ccc(C)c(F)c3)C2)n1 ZINC001571196149 952980409 /nfs/dbraw/zinc/98/04/09/952980409.db2.gz HYEFVROACOZSMT-CYBMUJFWSA-N -1 1 382.403 1.739 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)c3ccc(C)c(F)c3)C2)n1 ZINC001571196149 952980415 /nfs/dbraw/zinc/98/04/15/952980415.db2.gz HYEFVROACOZSMT-CYBMUJFWSA-N -1 1 382.403 1.739 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccc(CF)cc1 ZINC001571196932 952985186 /nfs/dbraw/zinc/98/51/86/952985186.db2.gz QCJGSEAYCIYPMO-BXUZGUMPSA-N -1 1 382.403 1.841 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(CF)cc1 ZINC001571196932 952985189 /nfs/dbraw/zinc/98/51/89/952985189.db2.gz QCJGSEAYCIYPMO-BXUZGUMPSA-N -1 1 382.403 1.841 20 0 GDADMM Cc1occc1C(=O)N[C@@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1(C)C ZINC001571199267 952998049 /nfs/dbraw/zinc/99/80/49/952998049.db2.gz OSVFSNDRKCKQIZ-CQSZACIVSA-N -1 1 382.428 1.511 20 0 GDADMM Cc1occc1C(=O)N[C@@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1(C)C ZINC001571199267 952998060 /nfs/dbraw/zinc/99/80/60/952998060.db2.gz OSVFSNDRKCKQIZ-CQSZACIVSA-N -1 1 382.428 1.511 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)c3cc(C)oc3C)C2)cc(-c2nnn[n-]2)n1 ZINC001571199490 953000739 /nfs/dbraw/zinc/00/07/39/953000739.db2.gz SQUAEXNRTPTTEO-GFCCVEGCSA-N -1 1 382.428 1.756 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)c3cc(C)oc3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571199490 953000742 /nfs/dbraw/zinc/00/07/42/953000742.db2.gz SQUAEXNRTPTTEO-GFCCVEGCSA-N -1 1 382.428 1.756 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)[C@@H]2C)oc1C ZINC001571200455 953008874 /nfs/dbraw/zinc/00/88/74/953008874.db2.gz CHPQCBGPWFKRCU-YPMHNXCESA-N -1 1 382.428 1.654 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)[C@@H]2C)oc1C ZINC001571200455 953008876 /nfs/dbraw/zinc/00/88/76/953008876.db2.gz CHPQCBGPWFKRCU-YPMHNXCESA-N -1 1 382.428 1.654 20 0 GDADMM Cc1ccoc1CC(=O)N[C@@H]1CC[C@H](C)N(c2nccnc2-c2nnn[n-]2)C1 ZINC001571201859 953020645 /nfs/dbraw/zinc/02/06/45/953020645.db2.gz ORFOXWYQQRJDDI-QWHCGFSZSA-N -1 1 382.428 1.274 20 0 GDADMM Cc1ccoc1CC(=O)N[C@@H]1CC[C@H](C)N(c2nccnc2-c2nn[n-]n2)C1 ZINC001571201859 953020647 /nfs/dbraw/zinc/02/06/47/953020647.db2.gz ORFOXWYQQRJDDI-QWHCGFSZSA-N -1 1 382.428 1.274 20 0 GDADMM Cc1cc(C)c(C(=O)NC[C@H]2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)o1 ZINC001571202180 953023552 /nfs/dbraw/zinc/02/35/52/953023552.db2.gz RMKPUHXMRUTLNR-QWHCGFSZSA-N -1 1 382.428 1.877 20 0 GDADMM Cc1cc(C)c(C(=O)NC[C@H]2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)o1 ZINC001571202180 953023558 /nfs/dbraw/zinc/02/35/58/953023558.db2.gz RMKPUHXMRUTLNR-QWHCGFSZSA-N -1 1 382.428 1.877 20 0 GDADMM Cc1cc(C)c(C(=O)N2CCC[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)o1 ZINC001571202612 953027724 /nfs/dbraw/zinc/02/77/24/953027724.db2.gz VTZDSVDCMZPWHZ-ZDUSSCGKSA-N -1 1 382.428 1.892 20 0 GDADMM Cc1cc(C)c(C(=O)N2CCC[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)o1 ZINC001571202612 953027728 /nfs/dbraw/zinc/02/77/28/953027728.db2.gz VTZDSVDCMZPWHZ-ZDUSSCGKSA-N -1 1 382.428 1.892 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CC[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)oc1C ZINC001571202762 953029166 /nfs/dbraw/zinc/02/91/66/953029166.db2.gz YGESWJAGRSVCIY-OLZOCXBDSA-N -1 1 382.428 1.877 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CC[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)oc1C ZINC001571202762 953029171 /nfs/dbraw/zinc/02/91/71/953029171.db2.gz YGESWJAGRSVCIY-OLZOCXBDSA-N -1 1 382.428 1.877 20 0 GDADMM Cc1ccc(CC(=O)N(C)C2CC(Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)o1 ZINC001571202751 953029295 /nfs/dbraw/zinc/02/92/95/953029295.db2.gz YDDGPVAWNZJEIM-UHFFFAOYSA-N -1 1 382.428 1.511 20 0 GDADMM Cc1ccc(CC(=O)N(C)C2CC(Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)o1 ZINC001571202751 953029299 /nfs/dbraw/zinc/02/92/99/953029299.db2.gz YDDGPVAWNZJEIM-UHFFFAOYSA-N -1 1 382.428 1.511 20 0 GDADMM CC(C)n1cnc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)[C@@H]2C)c1 ZINC001571205130 953036482 /nfs/dbraw/zinc/03/64/82/953036482.db2.gz FYOZBRAARFYTAB-NWDGAFQWSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1cnc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)[C@@H]2C)c1 ZINC001571205130 953036486 /nfs/dbraw/zinc/03/64/86/953036486.db2.gz FYOZBRAARFYTAB-NWDGAFQWSA-N -1 1 382.432 1.149 20 0 GDADMM CCc1nc[nH]c1C(=O)N1CCCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571205942 953044505 /nfs/dbraw/zinc/04/45/05/953044505.db2.gz OTSNGYOUQCSFQW-LLVKDONJSA-N -1 1 382.432 1.049 20 0 GDADMM CCc1nc[nH]c1C(=O)N1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571205942 953044508 /nfs/dbraw/zinc/04/45/08/953044508.db2.gz OTSNGYOUQCSFQW-LLVKDONJSA-N -1 1 382.432 1.049 20 0 GDADMM Cc1n[nH]cc1C(=O)N1CCC[C@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571206044 953045699 /nfs/dbraw/zinc/04/56/99/953045699.db2.gz CUGZIYBURFTUFO-JQWIXIFHSA-N -1 1 382.432 1.041 20 0 GDADMM Cc1n[nH]cc1C(=O)N1CCC[C@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571206044 953045702 /nfs/dbraw/zinc/04/57/02/953045702.db2.gz CUGZIYBURFTUFO-JQWIXIFHSA-N -1 1 382.432 1.041 20 0 GDADMM Cc1occc1C(=O)N1CCC[C@@H](C)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571206206 953048045 /nfs/dbraw/zinc/04/80/45/953048045.db2.gz NAMQNLVOLBNOIW-IAQYHMDHSA-N -1 1 382.428 1.911 20 0 GDADMM Cc1occc1C(=O)N1CCC[C@@H](C)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571206206 953048049 /nfs/dbraw/zinc/04/80/49/953048049.db2.gz NAMQNLVOLBNOIW-IAQYHMDHSA-N -1 1 382.428 1.911 20 0 GDADMM C[C@H](NC(=O)C1CC2(CC2)C1)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571211526 953077533 /nfs/dbraw/zinc/07/75/33/953077533.db2.gz AMGYPOPIIPKAOH-STQMWFEESA-N -1 1 382.472 1.568 20 0 GDADMM CC1(C(=O)N2C[C@@H]3CCC[C@@H](Nc4ccc(-c5nnn[n-]5)nn4)[C@H]3C2)CCC1 ZINC001571211567 953078870 /nfs/dbraw/zinc/07/88/70/953078870.db2.gz BVOILQOHMBRQIQ-MELADBBJSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(C(=O)N2C[C@@H]3CCC[C@@H](Nc4ccc(-c5nn[n-]n5)nn4)[C@H]3C2)CCC1 ZINC001571211567 953078874 /nfs/dbraw/zinc/07/88/74/953078874.db2.gz BVOILQOHMBRQIQ-MELADBBJSA-N -1 1 382.472 1.886 20 0 GDADMM CC(C)(C(=O)N1CC[C@H]2[C@@H](CCN2c2cncc(-c3nnn[n-]3)n2)C1)C1CC1 ZINC001571211730 953080443 /nfs/dbraw/zinc/08/04/43/953080443.db2.gz DPMHRFGZTHZSSX-WFASDCNBSA-N -1 1 382.472 1.520 20 0 GDADMM CC(C)(C(=O)N1CC[C@H]2[C@@H](CCN2c2cncc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001571211730 953080448 /nfs/dbraw/zinc/08/04/48/953080448.db2.gz DPMHRFGZTHZSSX-WFASDCNBSA-N -1 1 382.472 1.520 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H]3[C@@H]2CCCN3C(=O)[C@H]2CC2(C)C)n1 ZINC001571211748 953080609 /nfs/dbraw/zinc/08/06/09/953080609.db2.gz DXJJGVPCIDCCCP-VHDGCEQUSA-N -1 1 382.472 1.581 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H]3[C@@H]2CCCN3C(=O)[C@H]2CC2(C)C)n1 ZINC001571211748 953080615 /nfs/dbraw/zinc/08/06/15/953080615.db2.gz DXJJGVPCIDCCCP-VHDGCEQUSA-N -1 1 382.472 1.581 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571212061 953083328 /nfs/dbraw/zinc/08/33/28/953083328.db2.gz IDCPUUOEEAXADT-LJISPDSOSA-N -1 1 382.472 1.519 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](CNC(=O)[C@]34C[C@H]3CCC4)C2)n1 ZINC001571212221 953086025 /nfs/dbraw/zinc/08/60/25/953086025.db2.gz JMRABAMOQUNCTM-VLXJIEOASA-N -1 1 382.472 1.352 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](CNC(=O)[C@]34C[C@H]3CCC4)C2)n1 ZINC001571212221 953086030 /nfs/dbraw/zinc/08/60/30/953086030.db2.gz JMRABAMOQUNCTM-VLXJIEOASA-N -1 1 382.472 1.352 20 0 GDADMM C[C@]1(CNc2ccc(-c3nnn[n-]3)nn2)CCN(C(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001571212274 953086222 /nfs/dbraw/zinc/08/62/22/953086222.db2.gz KKHLXHRRVQNTPQ-UPRAQXHNSA-N -1 1 382.472 1.888 20 0 GDADMM C[C@]1(CNc2ccc(-c3nn[n-]n3)nn2)CCN(C(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001571212274 953086226 /nfs/dbraw/zinc/08/62/26/953086226.db2.gz KKHLXHRRVQNTPQ-UPRAQXHNSA-N -1 1 382.472 1.888 20 0 GDADMM CC1(C)CC[C@@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@]2(C)C1 ZINC001571212301 953087035 /nfs/dbraw/zinc/08/70/35/953087035.db2.gz LAJITVJPTGGJOM-VPZZIHKRSA-N -1 1 382.472 1.378 20 0 GDADMM CC1(C)CC[C@@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@]2(C)C1 ZINC001571212301 953087036 /nfs/dbraw/zinc/08/70/36/953087036.db2.gz LAJITVJPTGGJOM-VPZZIHKRSA-N -1 1 382.472 1.378 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@]3(NC(=O)[C@H]4C[C@@H]4C)CCC[C@H]23)n1 ZINC001571212453 953088343 /nfs/dbraw/zinc/08/83/43/953088343.db2.gz LXCVKRGMLHJLOI-SWDXJLKVSA-N -1 1 382.472 1.493 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@]3(NC(=O)[C@H]4C[C@@H]4C)CCC[C@H]23)n1 ZINC001571212453 953088347 /nfs/dbraw/zinc/08/83/47/953088347.db2.gz LXCVKRGMLHJLOI-SWDXJLKVSA-N -1 1 382.472 1.493 20 0 GDADMM CC1(C)CC(C(=O)N2CC[C@@H]3[C@@H](CCN3c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571212557 953088859 /nfs/dbraw/zinc/08/88/59/953088859.db2.gz NEUHOPBJLHJSHB-GXTWGEPZSA-N -1 1 382.472 1.520 20 0 GDADMM C[C@@H]1C[C@H]1C(=O)N1CCCC[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571212512 953089565 /nfs/dbraw/zinc/08/95/65/953089565.db2.gz MUBVXEHXDLSEQJ-LPMFXHHGSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H]1C[C@H]1C(=O)N1CCCC[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571212512 953089568 /nfs/dbraw/zinc/08/95/68/953089568.db2.gz MUBVXEHXDLSEQJ-LPMFXHHGSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N1C[C@@]2(C)CN(c3nccnc3-c3nnn[n-]3)C[C@@]2(C)C1 ZINC001571212966 953091711 /nfs/dbraw/zinc/09/17/11/953091711.db2.gz ONCKUNPSFPTEEE-DPMMWBKBSA-N -1 1 382.472 1.378 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N1C[C@@]2(C)CN(c3nccnc3-c3nn[n-]n3)C[C@@]2(C)C1 ZINC001571212966 953091714 /nfs/dbraw/zinc/09/17/14/953091714.db2.gz ONCKUNPSFPTEEE-DPMMWBKBSA-N -1 1 382.472 1.378 20 0 GDADMM CC1(C)CC[C@@H]1C(=O)N[C@]12CCC[C@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001571213268 953094435 /nfs/dbraw/zinc/09/44/35/953094435.db2.gz QOUAZZMOSZXTEE-VPZZIHKRSA-N -1 1 382.472 1.711 20 0 GDADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@H]1CCN(C(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001571213315 953094635 /nfs/dbraw/zinc/09/46/35/953094635.db2.gz RGUZTKSATWXVDK-KBPBESRZSA-N -1 1 382.472 1.664 20 0 GDADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001571213315 953094636 /nfs/dbraw/zinc/09/46/36/953094636.db2.gz RGUZTKSATWXVDK-KBPBESRZSA-N -1 1 382.472 1.664 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCCCN2C(=O)C2CC3(CC3)C2)n1 ZINC001571214018 953098580 /nfs/dbraw/zinc/09/85/80/953098580.db2.gz VFIWCZXGBFAPMV-CQSZACIVSA-N -1 1 382.472 1.948 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCCCN2C(=O)C2CC3(CC3)C2)n1 ZINC001571214018 953098583 /nfs/dbraw/zinc/09/85/83/953098583.db2.gz VFIWCZXGBFAPMV-CQSZACIVSA-N -1 1 382.472 1.948 20 0 GDADMM CN(CC1CCN(C(=O)[C@]23C[C@H]2CCC3)CC1)c1cncc(-c2nnn[n-]2)n1 ZINC001571214343 953101692 /nfs/dbraw/zinc/10/16/92/953101692.db2.gz XRZAHZJRIJYKMT-AUUYWEPGSA-N -1 1 382.472 1.522 20 0 GDADMM CN(CC1CCN(C(=O)[C@]23C[C@H]2CCC3)CC1)c1cncc(-c2nn[n-]n2)n1 ZINC001571214343 953101695 /nfs/dbraw/zinc/10/16/95/953101695.db2.gz XRZAHZJRIJYKMT-AUUYWEPGSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@]2(C)C1)C1CCC1 ZINC001571214321 953101843 /nfs/dbraw/zinc/10/18/43/953101843.db2.gz XCXWNFJJWOZHBX-TVZGQMOCSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@]2(C)C1)C1CCC1 ZINC001571214321 953101847 /nfs/dbraw/zinc/10/18/47/953101847.db2.gz XCXWNFJJWOZHBX-TVZGQMOCSA-N -1 1 382.472 1.378 20 0 GDADMM O=S1(=O)CCc2cc(CNc3nc(-c4nn[n-]n4)c(Cl)s3)ccc21 ZINC001571216714 953103474 /nfs/dbraw/zinc/10/34/74/953103474.db2.gz ABFPSOYPVFTVMY-UHFFFAOYSA-N -1 1 382.858 1.919 20 0 GDADMM O=C(CC(C1CC1)C1CC1)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571216834 953104616 /nfs/dbraw/zinc/10/46/16/953104616.db2.gz ARHHXLAKJCIZPU-CQSZACIVSA-N -1 1 382.472 1.886 20 0 GDADMM O=C(CC(C1CC1)C1CC1)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571216834 953104619 /nfs/dbraw/zinc/10/46/19/953104619.db2.gz ARHHXLAKJCIZPU-CQSZACIVSA-N -1 1 382.472 1.886 20 0 GDADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1cc(F)ccc1N1CCOCC1 ZINC001571217483 953108385 /nfs/dbraw/zinc/10/83/85/953108385.db2.gz MAZCVLCIQOFMEO-UHFFFAOYSA-N -1 1 383.387 1.167 20 0 GDADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1cc(F)ccc1N1CCOCC1 ZINC001571217483 953108386 /nfs/dbraw/zinc/10/83/86/953108386.db2.gz MAZCVLCIQOFMEO-UHFFFAOYSA-N -1 1 383.387 1.167 20 0 GDADMM O=C(N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1)[C@H]1CC12CCCC2 ZINC001571217715 953111058 /nfs/dbraw/zinc/11/10/58/953111058.db2.gz JBRQWPYKGSRFMD-ZIAGYGMSSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1)[C@H]1CC12CCCC2 ZINC001571217715 953111059 /nfs/dbraw/zinc/11/10/59/953111059.db2.gz JBRQWPYKGSRFMD-ZIAGYGMSSA-N -1 1 382.472 1.712 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(F)cn2)CC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571218697 953118268 /nfs/dbraw/zinc/11/82/68/953118268.db2.gz YVECWNVRMZREAO-ZYHUDNBSSA-N -1 1 383.391 1.154 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(F)cn2)CC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571218697 953118271 /nfs/dbraw/zinc/11/82/71/953118271.db2.gz YVECWNVRMZREAO-ZYHUDNBSSA-N -1 1 383.391 1.154 20 0 GDADMM O=S(=O)(c1ccsc1-c1nn[n-]n1)N1CCc2cc(F)cc(F)c2C1 ZINC001571218864 953119836 /nfs/dbraw/zinc/11/98/36/953119836.db2.gz FSZQNJXICJPCCB-UHFFFAOYSA-N -1 1 383.405 1.953 20 0 GDADMM O=C(CCC1CCC1)N1CC[C@@H]2[C@H](CCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001571218844 953119847 /nfs/dbraw/zinc/11/98/47/953119847.db2.gz RXGWQKSLTHJFAI-HUUCEWRRSA-N -1 1 382.472 1.664 20 0 GDADMM O=C(CCC1CCC1)N1CC[C@@H]2[C@H](CCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001571218844 953119849 /nfs/dbraw/zinc/11/98/49/953119849.db2.gz RXGWQKSLTHJFAI-HUUCEWRRSA-N -1 1 382.472 1.664 20 0 GDADMM O=C(CC(C1CC1)C1CC1)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571219131 953123167 /nfs/dbraw/zinc/12/31/67/953123167.db2.gz WBCYGZNSCXJILQ-CQSZACIVSA-N -1 1 382.472 1.886 20 0 GDADMM O=C(CC(C1CC1)C1CC1)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571219131 953123170 /nfs/dbraw/zinc/12/31/70/953123170.db2.gz WBCYGZNSCXJILQ-CQSZACIVSA-N -1 1 382.472 1.886 20 0 GDADMM O=C(NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)[C@H]1CCCC2(CC2)C1 ZINC001571219389 953126254 /nfs/dbraw/zinc/12/62/54/953126254.db2.gz YVIWHZZKRHODGX-KBPBESRZSA-N -1 1 382.472 1.570 20 0 GDADMM O=C(NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)[C@H]1CCCC2(CC2)C1 ZINC001571219389 953126257 /nfs/dbraw/zinc/12/62/57/953126257.db2.gz YVIWHZZKRHODGX-KBPBESRZSA-N -1 1 382.472 1.570 20 0 GDADMM CCc1cc(C(=O)N[C@@H]2CCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)no1 ZINC001571223194 953142754 /nfs/dbraw/zinc/14/27/54/953142754.db2.gz PKTRZBMAPRMABN-ZYHUDNBSSA-N -1 1 383.416 1.218 20 0 GDADMM CCc1cc(C(=O)N[C@@H]2CCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)no1 ZINC001571223194 953142758 /nfs/dbraw/zinc/14/27/58/953142758.db2.gz PKTRZBMAPRMABN-ZYHUDNBSSA-N -1 1 383.416 1.218 20 0 GDADMM CCc1nc(NC2CC(N(C)C(=O)c3coc(C)n3)C2)cc(-c2nnn[n-]2)n1 ZINC001571223871 953147904 /nfs/dbraw/zinc/14/79/04/953147904.db2.gz YTPQNSWEUJZLEZ-UHFFFAOYSA-N -1 1 383.416 1.231 20 0 GDADMM CCc1nc(NC2CC(N(C)C(=O)c3coc(C)n3)C2)cc(-c2nn[n-]n2)n1 ZINC001571223871 953147906 /nfs/dbraw/zinc/14/79/06/953147906.db2.gz YTPQNSWEUJZLEZ-UHFFFAOYSA-N -1 1 383.416 1.231 20 0 GDADMM Cc1noc(C)c1C(=O)N[C@H]1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571224893 953151426 /nfs/dbraw/zinc/15/14/26/953151426.db2.gz GAGGYLQLILNPIZ-NEPJUHHUSA-N -1 1 383.416 1.272 20 0 GDADMM Cc1noc(C)c1C(=O)N[C@H]1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571224893 953151428 /nfs/dbraw/zinc/15/14/28/953151428.db2.gz GAGGYLQLILNPIZ-NEPJUHHUSA-N -1 1 383.416 1.272 20 0 GDADMM Cc1nc(C(=O)N2CC[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)[C@H](C)C2)co1 ZINC001571224974 953151943 /nfs/dbraw/zinc/15/19/43/953151943.db2.gz HTUXOQPKEGCFJY-SKDRFNHKSA-N -1 1 383.416 1.224 20 0 GDADMM Cc1nc(C(=O)N2CC[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)[C@H](C)C2)co1 ZINC001571224974 953151945 /nfs/dbraw/zinc/15/19/45/953151945.db2.gz HTUXOQPKEGCFJY-SKDRFNHKSA-N -1 1 383.416 1.224 20 0 GDADMM Cc1conc1C(=O)N1CCCC[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001571225941 953154647 /nfs/dbraw/zinc/15/46/47/953154647.db2.gz OQIOXBNKEMZEAX-LBPRGKRZSA-N -1 1 383.416 1.450 20 0 GDADMM Cc1conc1C(=O)N1CCCC[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001571225941 953154648 /nfs/dbraw/zinc/15/46/48/953154648.db2.gz OQIOXBNKEMZEAX-LBPRGKRZSA-N -1 1 383.416 1.450 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)[C@@H]2CCCN(C(=O)c3cnco3)C2)n1 ZINC001571227121 953158297 /nfs/dbraw/zinc/15/82/97/953158297.db2.gz ZEZVIGJVCOCRHJ-NWDGAFQWSA-N -1 1 383.416 1.306 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)[C@@H]2CCCN(C(=O)c3cnco3)C2)n1 ZINC001571227121 953158299 /nfs/dbraw/zinc/15/82/99/953158299.db2.gz ZEZVIGJVCOCRHJ-NWDGAFQWSA-N -1 1 383.416 1.306 20 0 GDADMM O=C(N[C@@]12CCC[C@@H]1N(c1nccnc1-c1nnn[n-]1)CC2)c1ccsn1 ZINC001571230553 953178429 /nfs/dbraw/zinc/17/84/29/953178429.db2.gz GFFKXHUHRJPZDG-MEDUHNTESA-N -1 1 383.441 1.045 20 0 GDADMM O=C(N[C@@]12CCC[C@@H]1N(c1nccnc1-c1nn[n-]n1)CC2)c1ccsn1 ZINC001571230553 953178430 /nfs/dbraw/zinc/17/84/30/953178430.db2.gz GFFKXHUHRJPZDG-MEDUHNTESA-N -1 1 383.441 1.045 20 0 GDADMM C[C@H](Nc1nccnc1-c1nnn[n-]1)[C@H]1CCCN(C(=O)CC(F)(F)F)C1 ZINC001571234741 953205477 /nfs/dbraw/zinc/20/54/77/953205477.db2.gz HPBMDSYOKPKYHO-UWVGGRQHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)[C@H]1CCCN(C(=O)CC(F)(F)F)C1 ZINC001571234741 953205479 /nfs/dbraw/zinc/20/54/79/953205479.db2.gz HPBMDSYOKPKYHO-UWVGGRQHSA-N -1 1 384.366 1.648 20 0 GDADMM O=C(C[C@H]1CCCO1)N[C@@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571234856 953206189 /nfs/dbraw/zinc/20/61/89/953206189.db2.gz KRYLZWOJYFUWNW-RKDXNWHRSA-N -1 1 383.865 1.241 20 0 GDADMM O=C(C[C@H]1CCCO1)N[C@@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571234856 953206192 /nfs/dbraw/zinc/20/61/92/953206192.db2.gz KRYLZWOJYFUWNW-RKDXNWHRSA-N -1 1 383.865 1.241 20 0 GDADMM COc1cnc(C(C)(C)NC(=O)Nc2cccc(-c3nn[nH]n3)c2C)[n-]c1=O ZINC001571238251 953227474 /nfs/dbraw/zinc/22/74/74/953227474.db2.gz YAMZSWRTMFWJBL-UHFFFAOYSA-N -1 1 384.400 1.736 20 0 GDADMM Cc1nsc(NC[C@@H]2CCN(C(=O)c3ccncc3C)C2)c1-c1nn[n-]n1 ZINC001571244821 953267407 /nfs/dbraw/zinc/26/74/07/953267407.db2.gz JPTBLLQMACFCQF-LBPRGKRZSA-N -1 1 384.469 1.909 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)[C@@H](C)C2)s1 ZINC001571244888 953268265 /nfs/dbraw/zinc/26/82/65/953268265.db2.gz LGDYPNZVOKWBFC-CMPLNLGQSA-N -1 1 384.469 1.814 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)[C@@H](C)C2)s1 ZINC001571244888 953268267 /nfs/dbraw/zinc/26/82/67/953268267.db2.gz LGDYPNZVOKWBFC-CMPLNLGQSA-N -1 1 384.469 1.814 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)[C@H](C)C2)s1 ZINC001571244891 953268509 /nfs/dbraw/zinc/26/85/09/953268509.db2.gz LGDYPNZVOKWBFC-ZYHUDNBSSA-N -1 1 384.469 1.814 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)[C@H](C)C2)s1 ZINC001571244891 953268514 /nfs/dbraw/zinc/26/85/14/953268514.db2.gz LGDYPNZVOKWBFC-ZYHUDNBSSA-N -1 1 384.469 1.814 20 0 GDADMM Cc1cscc1C(=O)N1C[C@H](C)[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571245500 953274118 /nfs/dbraw/zinc/27/41/18/953274118.db2.gz SQNWTOWEHFRWGT-JQWIXIFHSA-N -1 1 384.469 1.847 20 0 GDADMM Cc1cscc1C(=O)N1C[C@H](C)[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571245500 953274122 /nfs/dbraw/zinc/27/41/22/953274122.db2.gz SQNWTOWEHFRWGT-JQWIXIFHSA-N -1 1 384.469 1.847 20 0 GDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)NC[C@]1(CO)C[C@@H]1c1ccccc1 ZINC001571246060 953279542 /nfs/dbraw/zinc/27/95/42/953279542.db2.gz RNVAWRPGQXVPKN-KDOFPFPSSA-N -1 1 384.465 1.894 20 0 GDADMM C[C@H](C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)c1cccs1 ZINC001571246321 953282368 /nfs/dbraw/zinc/28/23/68/953282368.db2.gz YBONPXYCEICTKH-NSHDSACASA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)c1cccs1 ZINC001571246321 953282370 /nfs/dbraw/zinc/28/23/70/953282370.db2.gz YBONPXYCEICTKH-NSHDSACASA-N -1 1 384.469 1.607 20 0 GDADMM CC1(C)CCC(C(=O)NC[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001571250221 953309039 /nfs/dbraw/zinc/30/90/39/953309039.db2.gz OPJVJQHKCPZYRE-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C)CCC(C(=O)NC[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571250221 953309042 /nfs/dbraw/zinc/30/90/42/953309042.db2.gz OPJVJQHKCPZYRE-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C)CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1NC(=O)C1CCCCCC1 ZINC001571250651 953312078 /nfs/dbraw/zinc/31/20/78/953312078.db2.gz RRZWWISNMQQLLJ-HNNXBMFYSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1NC(=O)C1CCCCCC1 ZINC001571250651 953312082 /nfs/dbraw/zinc/31/20/82/953312082.db2.gz RRZWWISNMQQLLJ-HNNXBMFYSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CC(CC(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001571251123 953314710 /nfs/dbraw/zinc/31/47/10/953314710.db2.gz WDOLNZNWERDEGP-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CC(CC(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC001571251123 953314714 /nfs/dbraw/zinc/31/47/14/953314714.db2.gz WDOLNZNWERDEGP-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CCC(=O)N1CCC([C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)CC2)CC1 ZINC001571251144 953315481 /nfs/dbraw/zinc/31/54/81/953315481.db2.gz WGWNYKHNUNHTFE-AWEZNQCLSA-N -1 1 384.488 1.912 20 0 GDADMM CCC(=O)N1CCC([C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)CC2)CC1 ZINC001571251144 953315484 /nfs/dbraw/zinc/31/54/84/953315484.db2.gz WGWNYKHNUNHTFE-AWEZNQCLSA-N -1 1 384.488 1.912 20 0 GDADMM CC1(C)CCCC[C@H]1C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571251406 953316850 /nfs/dbraw/zinc/31/68/50/953316850.db2.gz XHKCKISSXVHITO-IHRRRGAJSA-N -1 1 384.488 1.602 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)C3(C)CCC3)C[C@@H]2C)n1 ZINC001571251854 953320519 /nfs/dbraw/zinc/32/05/19/953320519.db2.gz BFLGXDKQMWEIPL-STQMWFEESA-N -1 1 384.488 1.883 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)C3(C)CCC3)C[C@@H]2C)n1 ZINC001571251854 953320521 /nfs/dbraw/zinc/32/05/21/953320521.db2.gz BFLGXDKQMWEIPL-STQMWFEESA-N -1 1 384.488 1.883 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCCC[C@H]2CNC(=O)C2CC(C)C2)n1 ZINC001571251828 953320986 /nfs/dbraw/zinc/32/09/86/953320986.db2.gz AQGIIZYYODLVRY-RUXDESIVSA-N -1 1 384.488 1.740 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCCC[C@H]2CNC(=O)C2CC(C)C2)n1 ZINC001571251828 953320992 /nfs/dbraw/zinc/32/09/92/953320992.db2.gz AQGIIZYYODLVRY-RUXDESIVSA-N -1 1 384.488 1.740 20 0 GDADMM C[C@H]1CC[C@H](C(=O)N2CCC[C@H](N(C)c3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001571252145 953323753 /nfs/dbraw/zinc/32/37/53/953323753.db2.gz IGOFLEFONYWJSY-KKUMJFAQSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CC[C@H](C(=O)N2CCC[C@H](N(C)c3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571252145 953323756 /nfs/dbraw/zinc/32/37/56/953323756.db2.gz IGOFLEFONYWJSY-KKUMJFAQSA-N -1 1 384.488 1.910 20 0 GDADMM CN(C[C@H]1CCCCN1C(=O)[C@@H]1CCC1(C)C)c1cncc(-c2nnn[n-]2)n1 ZINC001571252288 953326107 /nfs/dbraw/zinc/32/61/07/953326107.db2.gz JUGZBMMWPWFTIC-KGLIPLIRSA-N -1 1 384.488 1.910 20 0 GDADMM CN(C[C@H]1CCCCN1C(=O)[C@@H]1CCC1(C)C)c1cncc(-c2nn[n-]n2)n1 ZINC001571252288 953326115 /nfs/dbraw/zinc/32/61/15/953326115.db2.gz JUGZBMMWPWFTIC-KGLIPLIRSA-N -1 1 384.488 1.910 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1C(C)(C)C)c1ccnc(-c2nn[n-]n2)n1 ZINC001571252294 953326518 /nfs/dbraw/zinc/32/65/18/953326518.db2.gz JZEZSXVTTNEILP-MGPQQGTHSA-N -1 1 384.488 1.766 20 0 GDADMM C[C@H]1CC[C@H](C(=O)N[C@H]2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571252435 953328242 /nfs/dbraw/zinc/32/82/42/953328242.db2.gz MOAPGXNFFJVQPG-TUVASFSCSA-N -1 1 384.488 1.602 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCCC[C@@H]2CNC(=O)[C@H]2CC2(C)C)n1 ZINC001571252551 953329316 /nfs/dbraw/zinc/32/93/16/953329316.db2.gz PQYKMPRZLYJNBX-CHWSQXEVSA-N -1 1 384.488 1.740 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCCC[C@@H]2CNC(=O)[C@H]2CC2(C)C)n1 ZINC001571252551 953329320 /nfs/dbraw/zinc/32/93/20/953329320.db2.gz PQYKMPRZLYJNBX-CHWSQXEVSA-N -1 1 384.488 1.740 20 0 GDADMM C[C@@H]1CN(C(=O)C2CC(C(C)(C)C)C2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571252534 953329678 /nfs/dbraw/zinc/32/96/78/953329678.db2.gz OZCKRDBMEQZAQV-XZNOPERXSA-N -1 1 384.488 1.988 20 0 GDADMM C[C@@H]1CN(C(=O)C2CC(C(C)(C)C)C2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571252534 953329684 /nfs/dbraw/zinc/32/96/84/953329684.db2.gz OZCKRDBMEQZAQV-XZNOPERXSA-N -1 1 384.488 1.988 20 0 GDADMM CC[C@H]1CC[C@H](C(=O)NC[C@H]2CCCN2c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571252564 953330275 /nfs/dbraw/zinc/33/02/75/953330275.db2.gz QBQCDGNGYHPOQV-RBSFLKMASA-N -1 1 384.488 1.958 20 0 GDADMM CC[C@H]1CC[C@H](C(=O)NC[C@H]2CCCN2c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571252564 953330278 /nfs/dbraw/zinc/33/02/78/953330278.db2.gz QBQCDGNGYHPOQV-RBSFLKMASA-N -1 1 384.488 1.958 20 0 GDADMM O=C(NC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)c1ccc(Cl)cc1 ZINC001571255156 953345987 /nfs/dbraw/zinc/34/59/87/953345987.db2.gz KDCYTZJFZYMXMQ-CYBMUJFWSA-N -1 1 384.831 1.709 20 0 GDADMM O=C(NC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)c1ccc(Cl)cc1 ZINC001571255156 953345990 /nfs/dbraw/zinc/34/59/90/953345990.db2.gz KDCYTZJFZYMXMQ-CYBMUJFWSA-N -1 1 384.831 1.709 20 0 GDADMM O=C(NC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)c1ccccc1Cl ZINC001571256316 953368201 /nfs/dbraw/zinc/36/82/01/953368201.db2.gz USRKDFGERDWYSZ-NSHDSACASA-N -1 1 384.831 1.709 20 0 GDADMM O=C(NC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)c1ccccc1Cl ZINC001571256316 953368209 /nfs/dbraw/zinc/36/82/09/953368209.db2.gz USRKDFGERDWYSZ-NSHDSACASA-N -1 1 384.831 1.709 20 0 GDADMM O=C([O-])[C@H]1CC(C(=O)NCc2n[nH]c(-c3ccccc3)n2)=NN1c1ccccc1 ZINC001594777039 953595185 /nfs/dbraw/zinc/59/51/85/953595185.db2.gz JJFVSTFUTVHOKL-MRXNPFEDSA-N -1 1 390.403 1.807 20 0 GDADMM O=C([O-])[C@H]1CC(C(=O)NCc2nc(-c3ccccc3)n[nH]2)=NN1c1ccccc1 ZINC001594777039 953595192 /nfs/dbraw/zinc/59/51/92/953595192.db2.gz JJFVSTFUTVHOKL-MRXNPFEDSA-N -1 1 390.403 1.807 20 0 GDADMM O=C([O-])C(=O)N1CCN(C(=O)c2cccc3[nH]c(-c4cccs4)nc32)CC1 ZINC001594828139 953953188 /nfs/dbraw/zinc/95/31/88/953953188.db2.gz AICZMRDEQGOTTQ-UHFFFAOYSA-N -1 1 384.417 1.660 20 0 GDADMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)c1c2ncsc2ccc1Cl ZINC001593698825 954091309 /nfs/dbraw/zinc/09/13/09/954091309.db2.gz JOTOCQSQMMVGDF-UHFFFAOYSA-N -1 1 377.875 1.587 20 0 GDADMM CC(C)[C@H](CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CCCCC1)C(=O)[O-] ZINC001602984205 972009508 /nfs/dbraw/zinc/00/95/08/972009508.db2.gz VIWFETSVOHBDRY-HOTGVXAUSA-N -1 1 378.473 1.490 20 0 GDADMM C[C@@H]1CN(CCOc2ccccc2C(=O)[O-])CCN1c1nccn2cnnc12 ZINC001589400961 954427490 /nfs/dbraw/zinc/42/74/90/954427490.db2.gz VOTLIKOPNIKHBU-CQSZACIVSA-N -1 1 382.424 1.412 20 0 GDADMM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1nc(C2CC2)cs1 ZINC001594895442 954562353 /nfs/dbraw/zinc/56/23/53/954562353.db2.gz GSJFANZNYDEICX-WPRPVWTQSA-N -1 1 391.371 1.757 20 0 GDADMM O=C([O-])[C@H]1CCCN(c2ccc(CN3CCC(N4CCOC4=O)CC3)o2)C1 ZINC001594914344 954726468 /nfs/dbraw/zinc/72/64/68/954726468.db2.gz GABSHWIFASNTSD-AWEZNQCLSA-N -1 1 377.441 1.997 20 0 GDADMM O=C([O-])C1CCN(c2ccc(CN3CCC(C(=O)NCCCO)CC3)o2)CC1 ZINC001594939534 954869605 /nfs/dbraw/zinc/86/96/05/954869605.db2.gz XNFWEFLMGHREMC-UHFFFAOYSA-N -1 1 393.484 1.291 20 0 GDADMM COC(=O)C1CC2(C1)CN([C@@H](C)C(=O)Nc1ccc(OC)cc1)C[C@@H]2C(=O)[O-] ZINC001593819646 955020136 /nfs/dbraw/zinc/02/01/36/955020136.db2.gz KNZSGPYNVVHLAN-KZHCWJBDSA-N -1 1 390.436 1.608 20 0 GDADMM COC(=O)C1CC2(C1)CN(CC(=O)Nc1cccc(OC)c1)C[C@@H]2C(=O)[O-] ZINC001593825186 955097300 /nfs/dbraw/zinc/09/73/00/955097300.db2.gz YKGHYVBETCMGCA-WXYZLBAPSA-N -1 1 376.409 1.220 20 0 GDADMM CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)N2CC[C@H](C(=O)[O-])C2)cc1 ZINC000817914500 955385002 /nfs/dbraw/zinc/38/50/02/955385002.db2.gz PSIGIXYHCSOUNK-OLZOCXBDSA-N -1 1 383.470 1.107 20 0 GDADMM COC(=O)CC[C@H](NC(=O)c1cc(Br)cc2nc[nH]c21)C(=O)[O-] ZINC001593843915 955387821 /nfs/dbraw/zinc/38/78/21/955387821.db2.gz BURRPCXBYLCCJO-VIFPVBQESA-N -1 1 384.186 1.462 20 0 GDADMM Cn1c(=O)c2ccc(C(=O)N[C@H](C(=O)[O-])c3ccc(F)cc3)cc2[nH]c1=S ZINC001594522563 955466164 /nfs/dbraw/zinc/46/61/64/955466164.db2.gz ZQNYVAWWMWAFFV-AWEZNQCLSA-N -1 1 387.392 1.917 20 0 GDADMM COC(=O)c1c[nH]c(CN2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)c1C1CC1 ZINC001593867877 955604343 /nfs/dbraw/zinc/60/43/43/955604343.db2.gz PUBPQJGPXHGBIB-CYBMUJFWSA-N -1 1 389.452 1.576 20 0 GDADMM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(C(=O)c3cc(Br)[nH]n3)C2)cn1 ZINC001594540965 955644949 /nfs/dbraw/zinc/64/49/49/955644949.db2.gz WFIYZNFCQCERCZ-RKDXNWHRSA-N -1 1 382.218 1.236 20 0 GDADMM COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H](C)N(C)C[C@@H](C)C(=O)[O-])c1 ZINC001593876423 955674646 /nfs/dbraw/zinc/67/46/46/955674646.db2.gz FTHRTNAKSKRHSV-MNOVXSKESA-N -1 1 380.397 1.239 20 0 GDADMM C[C@](NC(=O)CCNC(=O)c1n[nH]c2ccccc21)(C(=O)[O-])c1ccccc1 ZINC001589095214 955980784 /nfs/dbraw/zinc/98/07/84/955980784.db2.gz WRKBXYGQUCMLFC-HXUWFJFHSA-N -1 1 380.404 1.799 20 0 GDADMM Cn1ncc(I)c1CN1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001594586332 956001215 /nfs/dbraw/zinc/00/12/15/956001215.db2.gz IIADGIKTBGSEHF-VHSXEESVSA-N -1 1 375.210 1.567 20 0 GDADMM Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(CC(=O)NCc3ccc(Cl)cc3)C2)cn1 ZINC000873642721 956073116 /nfs/dbraw/zinc/07/31/16/956073116.db2.gz BDZFYLQLQMUOSZ-CABCVRRESA-N -1 1 390.871 1.880 20 0 GDADMM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(CC(=O)NCCC3CCCCC3)C2)cn1 ZINC000873644487 956079436 /nfs/dbraw/zinc/07/94/36/956079436.db2.gz 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COc1cc(C(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)cc(Cl)c1[O-] ZINC000334091429 532263027 /nfs/dbraw/zinc/26/30/27/532263027.db2.gz VNLRNOQXTFFAPA-SKDRFNHKSA-N -1 1 376.862 1.502 20 0 GDADMM COc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCC=C(F)C2)c1 ZINC000348336266 532265500 /nfs/dbraw/zinc/26/55/00/532265500.db2.gz CFDMBFBXDDOXPY-UHFFFAOYSA-N -1 1 393.462 1.111 20 0 GDADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc3ccc(Br)cn3n2)co1 ZINC000431454195 532266068 /nfs/dbraw/zinc/26/60/68/532266068.db2.gz BNQBPSZQAHZFAO-UHFFFAOYSA-N -1 1 399.226 1.850 20 0 GDADMM Cc1nc(S(=O)(=O)[N-][C@@H](CO)c2ccc(F)cc2)c(Br)n1C ZINC000288283132 532278973 /nfs/dbraw/zinc/27/89/73/532278973.db2.gz VDRGWKUTTYNPJR-NSHDSACASA-N -1 1 392.250 1.642 20 0 GDADMM O=S(=O)([N-]CC(F)(F)CO)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000275479605 532296793 /nfs/dbraw/zinc/29/67/93/532296793.db2.gz WXJQXKUFBQMJIZ-JTQLQIEISA-N -1 1 385.816 1.661 20 0 GDADMM COC1(CO)CCN(C(=O)c2cc(I)ccc2[O-])CC1 ZINC000401768742 532304422 /nfs/dbraw/zinc/30/44/22/532304422.db2.gz CDXRHWJQSKBOHD-UHFFFAOYSA-N -1 1 391.205 1.610 20 0 GDADMM CCOCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(Br)cn2)no1 ZINC000289590196 532328665 /nfs/dbraw/zinc/32/86/65/532328665.db2.gz PQKNQRZKRCBBEV-MRVPVSSYSA-N -1 1 391.247 1.803 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)O[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000737198608 598823485 /nfs/dbraw/zinc/82/34/85/598823485.db2.gz BHTHRPBVETZRNH-APHBMKBZSA-N -1 1 387.440 1.873 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)O[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000737198612 598823741 /nfs/dbraw/zinc/82/37/41/598823741.db2.gz BHTHRPBVETZRNH-UHOFOFEASA-N -1 1 387.440 1.873 20 0 GDADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)Nc1ccc(Cl)cn1 ZINC000737980258 598825388 /nfs/dbraw/zinc/82/53/88/598825388.db2.gz BDXRBTQEGRLRKB-UHFFFAOYSA-N -1 1 381.783 1.869 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OCCc1cccnc1 ZINC000737488516 598857320 /nfs/dbraw/zinc/85/73/20/598857320.db2.gz WLDZWBLNZMQHAZ-UHFFFAOYSA-N -1 1 392.423 1.640 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OCCc1cccnc1 ZINC000737488516 598857321 /nfs/dbraw/zinc/85/73/21/598857321.db2.gz WLDZWBLNZMQHAZ-UHFFFAOYSA-N -1 1 392.423 1.640 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000737201744 598868702 /nfs/dbraw/zinc/86/87/02/598868702.db2.gz VJXSXERKCJDPTN-OAHLLOKOSA-N -1 1 396.455 1.994 20 0 GDADMM CC(=O)NCC1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000735474057 598873569 /nfs/dbraw/zinc/87/35/69/598873569.db2.gz GCXQGVWRHKPRMQ-UHFFFAOYSA-N -1 1 398.876 1.057 20 0 GDADMM CC(=O)NCC1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000735474057 598873571 /nfs/dbraw/zinc/87/35/71/598873571.db2.gz GCXQGVWRHKPRMQ-UHFFFAOYSA-N -1 1 398.876 1.057 20 0 GDADMM O=C(CNC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)NC1CC1 ZINC000737890452 598891131 /nfs/dbraw/zinc/89/11/31/598891131.db2.gz ZWLFDDNMZZXHPO-UHFFFAOYSA-N -1 1 397.464 1.673 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC[C@H](O)c2ccsc2)cc1-c1nn[n-]n1 ZINC000737187308 598892114 /nfs/dbraw/zinc/89/21/14/598892114.db2.gz PYWUTSVKWWIXEX-JTQLQIEISA-N -1 1 378.439 1.214 20 0 GDADMM CC(C)(C)OC(=O)N1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000735632604 598934534 /nfs/dbraw/zinc/93/45/34/598934534.db2.gz DHOGALVARDWHEU-UHFFFAOYSA-N -1 1 382.428 1.867 20 0 GDADMM CC(C)(C)OC(=O)N1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000735632604 598934535 /nfs/dbraw/zinc/93/45/35/598934535.db2.gz DHOGALVARDWHEU-UHFFFAOYSA-N -1 1 382.428 1.867 20 0 GDADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1cnn(-c2ccncc2)c1 ZINC000737226327 598949307 /nfs/dbraw/zinc/94/93/07/598949307.db2.gz VOFAJGSIAPVWJR-UHFFFAOYSA-N -1 1 382.409 1.557 20 0 GDADMM CN(Cc1nnc2n1CCCCC2)c1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736829723 598955795 /nfs/dbraw/zinc/95/57/95/598955795.db2.gz BODBWTSYVXIEBU-UHFFFAOYSA-N -1 1 376.428 1.764 20 0 GDADMM CN(Cc1nnc2n1CCCCC2)c1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736829723 598955796 /nfs/dbraw/zinc/95/57/96/598955796.db2.gz BODBWTSYVXIEBU-UHFFFAOYSA-N -1 1 376.428 1.764 20 0 GDADMM CC(=O)Nc1cc(S(=O)(=O)Nc2cccc(-c3nn[nH]n3)c2C)ccc1[O-] ZINC000819811024 607254793 /nfs/dbraw/zinc/25/47/93/607254793.db2.gz UTZMFCUWODBKSB-UHFFFAOYSA-N -1 1 388.409 1.640 20 0 GDADMM CSc1ccccc1NC(=O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737191599 598987617 /nfs/dbraw/zinc/98/76/17/598987617.db2.gz PJRGHAQXPPGLDC-UHFFFAOYSA-N -1 1 383.437 1.694 20 0 GDADMM CSc1ccccc1NC(=O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737191599 598987618 /nfs/dbraw/zinc/98/76/18/598987618.db2.gz PJRGHAQXPPGLDC-UHFFFAOYSA-N -1 1 383.437 1.694 20 0 GDADMM O=C(NCCOc1cccc(Br)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738085703 598996759 /nfs/dbraw/zinc/99/67/59/598996759.db2.gz LVGUPRAEKDVHEO-UHFFFAOYSA-N -1 1 389.213 1.833 20 0 GDADMM O=C(NCCOc1cccc(Br)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738085703 598996761 /nfs/dbraw/zinc/99/67/61/598996761.db2.gz LVGUPRAEKDVHEO-UHFFFAOYSA-N -1 1 389.213 1.833 20 0 GDADMM O=C(NCC1(c2ccc(F)cc2)CCOCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738040245 598997656 /nfs/dbraw/zinc/99/76/56/598997656.db2.gz QZFNDOKFCANITD-UHFFFAOYSA-N -1 1 382.399 1.879 20 0 GDADMM O=C(NCC1(c2ccc(F)cc2)CCOCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738040245 598997657 /nfs/dbraw/zinc/99/76/57/598997657.db2.gz QZFNDOKFCANITD-UHFFFAOYSA-N -1 1 382.399 1.879 20 0 GDADMM O=C(CC1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1)NC1CCCC1 ZINC000737822702 598997842 /nfs/dbraw/zinc/99/78/42/598997842.db2.gz OAQKKCCLEVHKQQ-UHFFFAOYSA-N -1 1 383.456 1.563 20 0 GDADMM O=C(CC1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1)NC1CCCC1 ZINC000737822702 598997844 /nfs/dbraw/zinc/99/78/44/598997844.db2.gz OAQKKCCLEVHKQQ-UHFFFAOYSA-N -1 1 383.456 1.563 20 0 GDADMM COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736895644 598999989 /nfs/dbraw/zinc/99/99/89/598999989.db2.gz ZFUGGIWVXIYTMS-CYBMUJFWSA-N -1 1 380.408 1.713 20 0 GDADMM COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736895644 598999991 /nfs/dbraw/zinc/99/99/91/598999991.db2.gz ZFUGGIWVXIYTMS-CYBMUJFWSA-N -1 1 380.408 1.713 20 0 GDADMM O=C(Nc1ccc(F)cc1)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000738166405 599002619 /nfs/dbraw/zinc/00/26/19/599002619.db2.gz TUDJRVNJUSAHIH-UHFFFAOYSA-N -1 1 395.398 1.892 20 0 GDADMM O=C(Nc1ccc(F)cc1)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000738166405 599002621 /nfs/dbraw/zinc/00/26/21/599002621.db2.gz TUDJRVNJUSAHIH-UHFFFAOYSA-N -1 1 395.398 1.892 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC(c2nnc3ccccn32)CC1 ZINC000738259698 599020483 /nfs/dbraw/zinc/02/04/83/599020483.db2.gz URLQTQPWBGGGNX-UHFFFAOYSA-N -1 1 375.396 1.324 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC(c2nnc3ccccn32)CC1 ZINC000738259698 599020485 /nfs/dbraw/zinc/02/04/85/599020485.db2.gz URLQTQPWBGGGNX-UHFFFAOYSA-N -1 1 375.396 1.324 20 0 GDADMM CC(C)(C)OC(=O)NC[C@](C)(NC(=O)c1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC000735635295 599030686 /nfs/dbraw/zinc/03/06/86/599030686.db2.gz BDUSKBZWDWJOIS-SFHVURJKSA-N -1 1 387.444 1.685 20 0 GDADMM CC(C)(C)OC(=O)NC[C@](C)(NC(=O)c1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC000735635295 599030688 /nfs/dbraw/zinc/03/06/88/599030688.db2.gz BDUSKBZWDWJOIS-SFHVURJKSA-N -1 1 387.444 1.685 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCn2c(Cc3ccccc3)nnc2C1 ZINC000738259198 599090083 /nfs/dbraw/zinc/09/00/83/599090083.db2.gz NHRRBKWISZJWSV-UHFFFAOYSA-N -1 1 387.407 1.100 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCn2c(Cc3ccccc3)nnc2C1 ZINC000738259198 599090086 /nfs/dbraw/zinc/09/00/86/599090086.db2.gz NHRRBKWISZJWSV-UHFFFAOYSA-N -1 1 387.407 1.100 20 0 GDADMM CCc1nsc(N2CCN(c3c4ccccc4nnc3-c3nnn[n-]3)CC2)n1 ZINC000821559111 599098688 /nfs/dbraw/zinc/09/86/88/599098688.db2.gz UEDAQZNVJGDCQS-UHFFFAOYSA-N -1 1 394.468 1.550 20 0 GDADMM CCc1nsc(N2CCN(c3c4ccccc4nnc3-c3nn[n-]n3)CC2)n1 ZINC000821559111 599098691 /nfs/dbraw/zinc/09/86/91/599098691.db2.gz UEDAQZNVJGDCQS-UHFFFAOYSA-N -1 1 394.468 1.550 20 0 GDADMM CN(C)c1noc(C2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)n1 ZINC000821592350 607258888 /nfs/dbraw/zinc/25/88/88/607258888.db2.gz BKQIMBJFEUOBKH-UHFFFAOYSA-N -1 1 397.399 1.948 20 0 GDADMM C[C@H](NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(Cl)cc1 ZINC000736104686 599138127 /nfs/dbraw/zinc/13/81/27/599138127.db2.gz IMYUWZVGTYDPIZ-JTQLQIEISA-N -1 1 386.799 1.949 20 0 GDADMM C[C@H](NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(Cl)cc1 ZINC000736104686 599138128 /nfs/dbraw/zinc/13/81/28/599138128.db2.gz IMYUWZVGTYDPIZ-JTQLQIEISA-N -1 1 386.799 1.949 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)Nc1cccc2ncccc21 ZINC000736157766 599140698 /nfs/dbraw/zinc/14/06/98/599140698.db2.gz MDYJYYYXFSOQRA-LLVKDONJSA-N -1 1 389.375 1.994 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)Nc1cccc2ncccc21 ZINC000736157766 599140700 /nfs/dbraw/zinc/14/07/00/599140700.db2.gz MDYJYYYXFSOQRA-LLVKDONJSA-N -1 1 389.375 1.994 20 0 GDADMM Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737422938 599141788 /nfs/dbraw/zinc/14/17/88/599141788.db2.gz PQTNNWSUVAEKHO-OLZOCXBDSA-N -1 1 380.408 1.993 20 0 GDADMM Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737422938 599141790 /nfs/dbraw/zinc/14/17/90/599141790.db2.gz PQTNNWSUVAEKHO-OLZOCXBDSA-N -1 1 380.408 1.993 20 0 GDADMM C[C@H]1CCCC[C@H]1OCCNC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736273835 599142664 /nfs/dbraw/zinc/14/26/64/599142664.db2.gz SCRMBAAXOHXJKC-SWLSCSKDSA-N -1 1 388.428 1.130 20 0 GDADMM C[C@H]1CCCC[C@H]1OCCNC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736273835 599142666 /nfs/dbraw/zinc/14/26/66/599142666.db2.gz SCRMBAAXOHXJKC-SWLSCSKDSA-N -1 1 388.428 1.130 20 0 GDADMM O=C(OCCCCN1C(=O)c2ccccc2C1=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738222504 599144626 /nfs/dbraw/zinc/14/46/26/599144626.db2.gz RSFXSDNSWRCYAQ-UHFFFAOYSA-N -1 1 392.375 1.495 20 0 GDADMM O=C(OCCCCN1C(=O)c2ccccc2C1=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738222504 599144629 /nfs/dbraw/zinc/14/46/29/599144629.db2.gz RSFXSDNSWRCYAQ-UHFFFAOYSA-N -1 1 392.375 1.495 20 0 GDADMM CC(C)COC(=O)N1CCC(COC(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000735838843 599153416 /nfs/dbraw/zinc/15/34/16/599153416.db2.gz JFAPHXQIOUCFHZ-UHFFFAOYSA-N -1 1 388.428 1.923 20 0 GDADMM CC(C)COC(=O)N1CCC(COC(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000735838843 599153418 /nfs/dbraw/zinc/15/34/18/599153418.db2.gz JFAPHXQIOUCFHZ-UHFFFAOYSA-N -1 1 388.428 1.923 20 0 GDADMM Cn1c(-c2ccc(-c3nn[n-]n3)o2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000822591544 599154030 /nfs/dbraw/zinc/15/40/30/599154030.db2.gz UMSADHQVEXRKMY-UHFFFAOYSA-N -1 1 390.363 1.324 20 0 GDADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(Cc2ncc(-c3ccccc3F)o2)c1 ZINC000736942127 599163871 /nfs/dbraw/zinc/16/38/71/599163871.db2.gz ZNPJKNIPWDUBRR-UHFFFAOYSA-N -1 1 396.338 1.657 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCOC[C@H]1c1ccco1 ZINC000738352958 599211128 /nfs/dbraw/zinc/21/11/28/599211128.db2.gz DNPQPXJILZIFHE-ZDUSSCGKSA-N -1 1 379.373 1.361 20 0 GDADMM O=S(=O)(Oc1ccc(Br)nc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823594902 607260083 /nfs/dbraw/zinc/26/00/83/607260083.db2.gz SANJCQLXNQGUOW-UHFFFAOYSA-N -1 1 383.187 1.187 20 0 GDADMM O=S(=O)(Oc1ccc(Br)nc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823594902 607260084 /nfs/dbraw/zinc/26/00/84/607260084.db2.gz SANJCQLXNQGUOW-UHFFFAOYSA-N -1 1 383.187 1.187 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000737549546 599249892 /nfs/dbraw/zinc/24/98/92/599249892.db2.gz YLLSGZJGNXKMOK-CQSZACIVSA-N -1 1 397.439 1.106 20 0 GDADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1cccc([S@](C)=O)c1 ZINC000737301922 599262733 /nfs/dbraw/zinc/26/27/33/599262733.db2.gz WXXIMDIPIFCZLJ-DEOSSOPVSA-N -1 1 377.451 1.713 20 0 GDADMM NC(=O)c1n[nH]c2ccc(NC(=O)C3=NN(c4ccccc4)[C@@H](C(=O)[O-])C3)cc21 ZINC000821357039 597461657 /nfs/dbraw/zinc/46/16/57/597461657.db2.gz CLNWFCOQNLVONR-OAHLLOKOSA-N -1 1 392.375 1.320 20 0 GDADMM COC(=O)c1cccc(NC2CCN(c3nccnc3-c3nnn[n-]3)CC2)c1 ZINC000821670131 607307322 /nfs/dbraw/zinc/30/73/22/607307322.db2.gz OOFDUCIKAKNSHP-UHFFFAOYSA-N -1 1 380.412 1.524 20 0 GDADMM COC(=O)c1cccc(NC2CCN(c3nccnc3-c3nn[n-]n3)CC2)c1 ZINC000821670131 607307323 /nfs/dbraw/zinc/30/73/23/607307323.db2.gz OOFDUCIKAKNSHP-UHFFFAOYSA-N -1 1 380.412 1.524 20 0 GDADMM CCn1c(=O)c2ccc(C(=O)OC[C@H]3CCC[N@H+]3CC(=O)[O-])cc2[n-]c1=S ZINC000820507061 598064906 /nfs/dbraw/zinc/06/49/06/598064906.db2.gz RULOFDAZPLJLTH-GFCCVEGCSA-N -1 1 391.449 1.411 20 0 GDADMM C[C@H]([C@H]1Cc2ccccc2O1)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820220073 607333012 /nfs/dbraw/zinc/33/30/12/607333012.db2.gz MUIIGIQUWRPGJB-BDJLRTHQSA-N -1 1 386.437 1.274 20 0 GDADMM C[C@H]([C@H]1Cc2ccccc2O1)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820220073 607333013 /nfs/dbraw/zinc/33/30/13/607333013.db2.gz MUIIGIQUWRPGJB-BDJLRTHQSA-N -1 1 386.437 1.274 20 0 GDADMM C[C@@H]([C@H]1Cc2ccccc2O1)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820220075 607333236 /nfs/dbraw/zinc/33/32/36/607333236.db2.gz MUIIGIQUWRPGJB-MEDUHNTESA-N -1 1 386.437 1.274 20 0 GDADMM C[C@@H]([C@H]1Cc2ccccc2O1)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820220075 607333237 /nfs/dbraw/zinc/33/32/37/607333237.db2.gz MUIIGIQUWRPGJB-MEDUHNTESA-N -1 1 386.437 1.274 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H](C)[C@H](C)N1CCOCC1 ZINC000737549387 598242944 /nfs/dbraw/zinc/24/29/44/598242944.db2.gz UTEYQSQLRLHHGV-OLZOCXBDSA-N -1 1 399.455 1.398 20 0 GDADMM CCCC(=O)N[C@@H]1CCCN(CC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)C1 ZINC000736409087 598257431 /nfs/dbraw/zinc/25/74/31/598257431.db2.gz CVGOPRNNTUQMRS-CYBMUJFWSA-N -1 1 389.460 1.396 20 0 GDADMM Cc1ccccc1CN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000737428495 598261404 /nfs/dbraw/zinc/26/14/04/598261404.db2.gz QHTJIHUIIMGZRI-UHFFFAOYSA-N -1 1 399.480 1.077 20 0 GDADMM Cc1ccccc1CN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000737428495 598261405 /nfs/dbraw/zinc/26/14/05/598261405.db2.gz QHTJIHUIIMGZRI-UHFFFAOYSA-N -1 1 399.480 1.077 20 0 GDADMM C[C@@H](c1ccc(F)c(F)c1)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736198704 598261683 /nfs/dbraw/zinc/26/16/83/598261683.db2.gz KFIKVRIRQVLEHV-VIFPVBQESA-N -1 1 380.380 1.922 20 0 GDADMM C[C@@H](c1ccc(F)c(F)c1)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736198704 598261685 /nfs/dbraw/zinc/26/16/85/598261685.db2.gz KFIKVRIRQVLEHV-VIFPVBQESA-N -1 1 380.380 1.922 20 0 GDADMM O=C1CCCN1c1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000738304491 598262152 /nfs/dbraw/zinc/26/21/52/598262152.db2.gz MBBWAIFNTAOYNG-UHFFFAOYSA-N -1 1 386.393 1.156 20 0 GDADMM O=C1CCCN1c1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000738304491 598262154 /nfs/dbraw/zinc/26/21/54/598262154.db2.gz MBBWAIFNTAOYNG-UHFFFAOYSA-N -1 1 386.393 1.156 20 0 GDADMM O=S(=O)(NCCCCOCc1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344119 598271549 /nfs/dbraw/zinc/27/15/49/598271549.db2.gz VFGCAJXJIXYPOO-UHFFFAOYSA-N -1 1 388.453 1.537 20 0 GDADMM O=S(=O)(NCCCCOCc1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738344119 598271551 /nfs/dbraw/zinc/27/15/51/598271551.db2.gz VFGCAJXJIXYPOO-UHFFFAOYSA-N -1 1 388.453 1.537 20 0 GDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 ZINC000737772325 598287603 /nfs/dbraw/zinc/28/76/03/598287603.db2.gz XZTLKAGLHSRDGG-UHFFFAOYSA-N -1 1 379.384 1.504 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)O[C@@H](C(=O)N(C)C)C(C)C ZINC000737546793 598287740 /nfs/dbraw/zinc/28/77/40/598287740.db2.gz GCPQGMGHZMIRCQ-CQSZACIVSA-N -1 1 386.412 1.828 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)O[C@@H](C(=O)N(C)C)C(C)C ZINC000737546793 598287741 /nfs/dbraw/zinc/28/77/41/598287741.db2.gz GCPQGMGHZMIRCQ-CQSZACIVSA-N -1 1 386.412 1.828 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CCCC[C@H]2c2ncc[nH]2)cc1-c1nn[n-]n1 ZINC000737188035 598302340 /nfs/dbraw/zinc/30/23/40/598302340.db2.gz WHQLQXWUSMWWNS-NSHDSACASA-N -1 1 386.441 1.780 20 0 GDADMM CC(C)NS(=O)(=O)Cc1ccccc1CNc1nccnc1-c1nnn[n-]1 ZINC000735892005 598338853 /nfs/dbraw/zinc/33/88/53/598338853.db2.gz BJUCMTIYSSSVBY-UHFFFAOYSA-N -1 1 388.457 1.097 20 0 GDADMM CC(C)NS(=O)(=O)Cc1ccccc1CNc1nccnc1-c1nn[n-]n1 ZINC000735892005 598338855 /nfs/dbraw/zinc/33/88/55/598338855.db2.gz BJUCMTIYSSSVBY-UHFFFAOYSA-N -1 1 388.457 1.097 20 0 GDADMM COC(=O)c1ccc(Oc2nccnc2-c2nn[n-]n2)c(Br)c1 ZINC000736949266 598341029 /nfs/dbraw/zinc/34/10/29/598341029.db2.gz QFUTWJGKNZLYJZ-UHFFFAOYSA-N -1 1 377.158 1.998 20 0 GDADMM CN(C[C@H](O)COc1ccccc1C(F)(F)F)c1nccnc1-c1nnn[n-]1 ZINC000736792308 598346901 /nfs/dbraw/zinc/34/69/01/598346901.db2.gz DCUDXNKZWVXHOE-JTQLQIEISA-N -1 1 395.345 1.552 20 0 GDADMM CN(C[C@H](O)COc1ccccc1C(F)(F)F)c1nccnc1-c1nn[n-]n1 ZINC000736792308 598346903 /nfs/dbraw/zinc/34/69/03/598346903.db2.gz DCUDXNKZWVXHOE-JTQLQIEISA-N -1 1 395.345 1.552 20 0 GDADMM O=S(=O)(N[C@@H](c1ccccc1)[C@H]1CCCO1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738329054 598357266 /nfs/dbraw/zinc/35/72/66/598357266.db2.gz MMJAWIPJOSXBIT-CVEARBPZSA-N -1 1 386.437 1.460 20 0 GDADMM O=S(=O)(N[C@@H](c1ccccc1)[C@H]1CCCO1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738329054 598357268 /nfs/dbraw/zinc/35/72/68/598357268.db2.gz MMJAWIPJOSXBIT-CVEARBPZSA-N -1 1 386.437 1.460 20 0 GDADMM Cc1cccc(CC(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)c1 ZINC000737391467 598367016 /nfs/dbraw/zinc/36/70/16/598367016.db2.gz BRRVBUORQOAHKA-UHFFFAOYSA-N -1 1 393.451 1.932 20 0 GDADMM CCc1nn(CCS(=O)(=O)c2ccccc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706996 598374127 /nfs/dbraw/zinc/37/41/27/598374127.db2.gz OBYSKQWGJYKQPJ-UHFFFAOYSA-N -1 1 388.453 1.022 20 0 GDADMM CCc1nn(CC(=O)c2ccc3c(c2)CCC3)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705220 598377910 /nfs/dbraw/zinc/37/79/10/598377910.db2.gz DGHSVYQJMDMBQH-UHFFFAOYSA-N -1 1 378.436 1.920 20 0 GDADMM Clc1nsc(N2CCC[C@@H](c3nnc4n3CCC4)C2)c1-c1nnn[n-]1 ZINC000737584435 598388429 /nfs/dbraw/zinc/38/84/29/598388429.db2.gz QCBFCAUDXHYQNI-MRVPVSSYSA-N -1 1 377.865 1.898 20 0 GDADMM Clc1nsc(N2CCC[C@@H](c3nnc4n3CCC4)C2)c1-c1nn[n-]n1 ZINC000737584435 598388431 /nfs/dbraw/zinc/38/84/31/598388431.db2.gz QCBFCAUDXHYQNI-MRVPVSSYSA-N -1 1 377.865 1.898 20 0 GDADMM C[C@H]1C(=O)NCCN1C(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736227636 598401840 /nfs/dbraw/zinc/40/18/40/598401840.db2.gz DSVCCBHVRGIDFW-NSHDSACASA-N -1 1 396.382 1.759 20 0 GDADMM C[C@H]1C(=O)NCCN1C(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736227636 598401841 /nfs/dbraw/zinc/40/18/41/598401841.db2.gz DSVCCBHVRGIDFW-NSHDSACASA-N -1 1 396.382 1.759 20 0 GDADMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)cc1C(N)=O ZINC000737362022 598452711 /nfs/dbraw/zinc/45/27/11/598452711.db2.gz LLNVKMSDBFHQPD-UHFFFAOYSA-N -1 1 392.828 1.728 20 0 GDADMM O=C(C[C@H]1CCCCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccco1 ZINC000822941103 607357682 /nfs/dbraw/zinc/35/76/82/607357682.db2.gz PWTNKHZICVFGEN-GFCCVEGCSA-N -1 1 384.400 1.095 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000737198704 598501603 /nfs/dbraw/zinc/50/16/03/598501603.db2.gz CLSVIZNWUWBOII-ZDUSSCGKSA-N -1 1 396.455 1.646 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(Sc2cccc(Br)c2)n(C)c1=O ZINC000737590620 598551834 /nfs/dbraw/zinc/55/18/34/598551834.db2.gz AZGFCDWNWQYHBB-UHFFFAOYSA-N -1 1 395.242 1.178 20 0 GDADMM O=C1OC(c2ccc(F)c(F)c2)=NC1=Cc1cnc2c(-c3nnn[n-]3)cnn2c1 ZINC000738318080 598567653 /nfs/dbraw/zinc/56/76/53/598567653.db2.gz IUFXQSUOXPCAMV-DXNYSGJVSA-N -1 1 394.301 1.532 20 0 GDADMM O=C1OC(c2ccc(F)c(F)c2)=NC1=Cc1cnc2c(-c3nn[n-]n3)cnn2c1 ZINC000738318080 598567654 /nfs/dbraw/zinc/56/76/54/598567654.db2.gz IUFXQSUOXPCAMV-DXNYSGJVSA-N -1 1 394.301 1.532 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)Nc2n[nH]c3ccc(F)cc32)cc1-c1nn[n-]n1 ZINC000737187800 598618875 /nfs/dbraw/zinc/61/88/75/598618875.db2.gz VOHGQPILVWQEMR-UHFFFAOYSA-N -1 1 386.372 1.957 20 0 GDADMM CCc1nn(Cc2cn(-c3ccccc3)nn2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705775 598642225 /nfs/dbraw/zinc/64/22/25/598642225.db2.gz ARAIQQCAGHKSIB-UHFFFAOYSA-N -1 1 377.412 1.177 20 0 GDADMM CCOC(=O)c1cccc(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000736602158 598686563 /nfs/dbraw/zinc/68/65/63/598686563.db2.gz HVMNEEOOIHIWMX-UHFFFAOYSA-N -1 1 392.368 1.950 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000738355725 598690591 /nfs/dbraw/zinc/69/05/91/598690591.db2.gz QNLKFXRUMKSNGX-SNVBAGLBSA-N -1 1 377.405 1.297 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)Nc2ccc3nc(C)cn3c2)cc1-c1nn[n-]n1 ZINC000737185637 598700758 /nfs/dbraw/zinc/70/07/58/598700758.db2.gz ABENXPIQLNPPLR-UHFFFAOYSA-N -1 1 382.409 1.898 20 0 GDADMM CC(C)N(CC(F)(F)F)C(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000735858895 598719065 /nfs/dbraw/zinc/71/90/65/598719065.db2.gz KAFCUIACEDVUSM-UHFFFAOYSA-N -1 1 394.357 1.981 20 0 GDADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Br)ccc21)N1CCC1 ZINC000737980313 598723317 /nfs/dbraw/zinc/72/33/17/598723317.db2.gz BWTOXWKHGASNIG-UHFFFAOYSA-N -1 1 389.213 1.176 20 0 GDADMM CC(C)n1cc([C@H](C)NS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cn1 ZINC000736129184 598776257 /nfs/dbraw/zinc/77/62/57/598776257.db2.gz CQWUZOSCKLSNKX-JTQLQIEISA-N -1 1 379.421 1.823 20 0 GDADMM CNC(=O)CCN(C)C(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000736871167 598821871 /nfs/dbraw/zinc/82/18/71/598821871.db2.gz QYOSWDHBGRHSHO-UHFFFAOYSA-N -1 1 375.458 1.069 20 0 GDADMM COc1cccc(CN(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000737131051 599334966 /nfs/dbraw/zinc/33/49/66/599334966.db2.gz NMGIDDJBFKVBGW-UHFFFAOYSA-N -1 1 377.401 1.835 20 0 GDADMM COc1cccc(CN(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000737131051 599334969 /nfs/dbraw/zinc/33/49/69/599334969.db2.gz NMGIDDJBFKVBGW-UHFFFAOYSA-N -1 1 377.401 1.835 20 0 GDADMM Cc1cccc(N(C)C(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)n1 ZINC000737396969 599342270 /nfs/dbraw/zinc/34/22/70/599342270.db2.gz OETQZWGVFURSBH-UHFFFAOYSA-N -1 1 391.439 1.825 20 0 GDADMM Cc1cccc(N(C)C(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)n1 ZINC000737396969 599342272 /nfs/dbraw/zinc/34/22/72/599342272.db2.gz OETQZWGVFURSBH-UHFFFAOYSA-N -1 1 391.439 1.825 20 0 GDADMM COC(=O)[C@H](NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)C(C)(C)C ZINC000736894075 599342591 /nfs/dbraw/zinc/34/25/91/599342591.db2.gz FQIULUVRBJWSAP-AWEZNQCLSA-N -1 1 390.444 1.221 20 0 GDADMM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c2cc(Cl)ccc2O1 ZINC000820769963 599371618 /nfs/dbraw/zinc/37/16/18/599371618.db2.gz YEABDJAKKBZPJO-VIFPVBQESA-N -1 1 392.828 1.891 20 0 GDADMM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c2cc(Cl)ccc2O1 ZINC000820769963 599371622 /nfs/dbraw/zinc/37/16/22/599371622.db2.gz YEABDJAKKBZPJO-VIFPVBQESA-N -1 1 392.828 1.891 20 0 GDADMM O=c1c(-c2nn[n-]n2)cccn1Cc1ccc(I)cc1 ZINC000823656988 599385441 /nfs/dbraw/zinc/38/54/41/599385441.db2.gz LFJKYTIZRTVOKA-UHFFFAOYSA-N -1 1 379.161 1.681 20 0 GDADMM C[C@@H](C(=O)N1CCCCCC1)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000735520232 599433807 /nfs/dbraw/zinc/43/38/07/599433807.db2.gz NZRXPXVYIAGAAS-HNNXBMFYSA-N -1 1 384.488 1.175 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cc1-c1nn[n-]n1 ZINC000821978813 599456714 /nfs/dbraw/zinc/45/67/14/599456714.db2.gz MZAZFQQPJYHCJM-GGZOMVNGSA-N -1 1 390.469 1.623 20 0 GDADMM Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737310237 599465934 /nfs/dbraw/zinc/46/59/34/599465934.db2.gz NPLPNRBJUFWBCS-UHFFFAOYSA-N -1 1 393.407 1.295 20 0 GDADMM Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737310237 599465936 /nfs/dbraw/zinc/46/59/36/599465936.db2.gz NPLPNRBJUFWBCS-UHFFFAOYSA-N -1 1 393.407 1.295 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCN(c2nc3ccccc3o2)CC1 ZINC000738260113 599573532 /nfs/dbraw/zinc/57/35/32/599573532.db2.gz ZUDNKJNHLABZAZ-UHFFFAOYSA-N -1 1 376.380 1.365 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCN(c2nc3ccccc3o2)CC1 ZINC000738260113 599573534 /nfs/dbraw/zinc/57/35/34/599573534.db2.gz ZUDNKJNHLABZAZ-UHFFFAOYSA-N -1 1 376.380 1.365 20 0 GDADMM C[C@@H](C(=O)OC(C)(C)C)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000735571598 599580427 /nfs/dbraw/zinc/58/04/27/599580427.db2.gz ZJNZLMKJJVGVAZ-NSHDSACASA-N -1 1 389.460 1.584 20 0 GDADMM Cc1oc(CSCC(=O)NC[C@@H]2CN(CC(C)C)CCO2)cc1C(=O)[O-] ZINC000738974851 599734686 /nfs/dbraw/zinc/73/46/86/599734686.db2.gz HORGOIXMVGXEBC-OAHLLOKOSA-N -1 1 384.498 1.992 20 0 GDADMM O=C([O-])c1ccc(C(=O)NCCCCN2CCN(c3ncccn3)CC2)cc1 ZINC000581725799 599754334 /nfs/dbraw/zinc/75/43/34/599754334.db2.gz IBTZTVRKSGCFJB-UHFFFAOYSA-N -1 1 383.452 1.507 20 0 GDADMM COC(=O)c1sc(NC(=O)CN(C)C[C@@H]2CCCOC2)c(C(=O)[O-])c1C ZINC000737718756 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CN1CCC[C@H]1[C@H]1CCCN1C(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1 ZINC000830940970 602214308 /nfs/dbraw/zinc/21/43/08/602214308.db2.gz OIFRQUCRTMCWQU-JKSUJKDBSA-N -1 1 395.481 1.879 20 0 GDADMM O=C(COc1ccccc1NCc1ccnc(-c2nnn[n-]2)c1)N1CCOCC1 ZINC000826420118 607552825 /nfs/dbraw/zinc/55/28/25/607552825.db2.gz ZAEUCSMICBAMAK-UHFFFAOYSA-N -1 1 395.423 1.111 20 0 GDADMM O=C(COc1ccccc1NCc1ccnc(-c2nn[n-]n2)c1)N1CCOCC1 ZINC000826420118 607552826 /nfs/dbraw/zinc/55/28/26/607552826.db2.gz ZAEUCSMICBAMAK-UHFFFAOYSA-N -1 1 395.423 1.111 20 0 GDADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCCN1CC(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC000739011185 602260967 /nfs/dbraw/zinc/26/09/67/602260967.db2.gz PEIOVZGRRLPRBK-WBVHZDCISA-N -1 1 394.516 1.358 20 0 GDADMM COc1ccc(CN2CCCN(C(=O)COC(=O)[C@@H](C)CC(=O)[O-])CC2)cc1 ZINC000832314862 602283019 /nfs/dbraw/zinc/28/30/19/602283019.db2.gz PUWZPBTVBPUAOS-HNNXBMFYSA-N -1 1 392.452 1.384 20 0 GDADMM O=C([O-])NCCNC(=O)[C@H]1CCCN(Cn2ccc(-c3ccc(F)cc3)n2)C1 ZINC000740659218 602324423 /nfs/dbraw/zinc/32/44/23/602324423.db2.gz HQXJGNUJLNKULM-HNNXBMFYSA-N -1 1 389.431 1.743 20 0 GDADMM CN1CCN(c2ccc(CNC(=O)C3CCC(NC(=O)[O-])CC3)cn2)CC1 ZINC000739735636 602366439 /nfs/dbraw/zinc/36/64/39/602366439.db2.gz AXGZQPWMRXJAAP-UHFFFAOYSA-N -1 1 375.473 1.276 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000738622149 602381992 /nfs/dbraw/zinc/38/19/92/602381992.db2.gz CIMDRJOBKLNQQZ-GDBMZVCRSA-N -1 1 391.468 1.653 20 0 GDADMM C[C@@H](NC(=O)[O-])C1CCN(CC(=O)NC[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000739022737 602445644 /nfs/dbraw/zinc/44/56/44/602445644.db2.gz DWKCVUQIVHVJFE-IAGOWNOFSA-N -1 1 388.512 1.997 20 0 GDADMM C[C@@H](NC(=O)[O-])C1CCN(C(=O)CCNC(=O)c2n[nH]c3ccccc32)CC1 ZINC000738995462 602459289 /nfs/dbraw/zinc/45/92/89/602459289.db2.gz DKVIIPZUEVYAOM-GFCCVEGCSA-N -1 1 387.440 1.578 20 0 GDADMM CN(C[C@H]1CCN(CC(=O)N2CCN(Cc3ccsc3)CC2)C1)C(=O)[O-] ZINC000739660587 602528210 /nfs/dbraw/zinc/52/82/10/602528210.db2.gz OHIMIKSIIDFXOW-OAHLLOKOSA-N -1 1 380.514 1.324 20 0 GDADMM C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000738626637 602530294 /nfs/dbraw/zinc/53/02/94/602530294.db2.gz DMBWMGUUDDPHRZ-GDBMZVCRSA-N -1 1 391.468 1.437 20 0 GDADMM Cc1c(C(=O)N(C)[C@H]2CN3CCC2CC3)nnn1C1CCN(C(=O)[O-])CC1 ZINC000740031190 602545466 /nfs/dbraw/zinc/54/54/66/602545466.db2.gz HAKZDKMUKLBXRI-HNNXBMFYSA-N -1 1 376.461 1.068 20 0 GDADMM C[C@@H]1CN(Cc2ccc(CNC(=O)N[C@@H]3CCN(C(=O)[O-])C3)cc2)C[C@H](C)O1 ZINC000739186580 602584631 /nfs/dbraw/zinc/58/46/31/602584631.db2.gz SXXKGAAQLFONNJ-RVKKMQEKSA-N -1 1 390.484 1.847 20 0 GDADMM C[C@@H](CN1CCN(C)CC1)NC(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2 ZINC000738908786 602607649 /nfs/dbraw/zinc/60/76/49/602607649.db2.gz ALFRSQXDMBPQBB-AWEZNQCLSA-N -1 1 375.473 1.480 20 0 GDADMM CC1CCC(NC(=O)CN2CCN(C[C@H]3CCCN(C(=O)[O-])C3)CC2)CC1 ZINC000739084061 602705126 /nfs/dbraw/zinc/70/51/26/602705126.db2.gz GWOXSRKGHRVNLV-LXPRWKDFSA-N -1 1 380.533 1.689 20 0 GDADMM C[C@@H](CN1CCN(C)CC1)NC(=O)N1CCC([C@@H]2CCCN2C(=O)[O-])CC1 ZINC000738913322 602717198 /nfs/dbraw/zinc/71/71/98/602717198.db2.gz UJKFHURQAFBXIU-RDJZCZTQSA-N -1 1 381.521 1.186 20 0 GDADMM NC(=O)c1cccc(CNS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000826393745 607584098 /nfs/dbraw/zinc/58/40/98/607584098.db2.gz HOWGGBFOKLKUFS-UHFFFAOYSA-N -1 1 392.828 1.098 20 0 GDADMM CCOC(=O)CN(CC(C)C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825511900 607586769 /nfs/dbraw/zinc/58/67/69/607586769.db2.gz KHMAVVXFNUFDPF-UHFFFAOYSA-N -1 1 385.421 1.216 20 0 GDADMM CC(C)[C@H](CNC(=O)[C@@H](CNC(=O)[O-])c1ccccc1)N1CCN(C)CC1 ZINC000824110473 602923661 /nfs/dbraw/zinc/92/36/61/602923661.db2.gz KROBLYWYTNEENR-ROUUACIJSA-N -1 1 376.501 1.426 20 0 GDADMM O=C([O-])N[C@H](C(=O)N1CC[C@@H](CN2CCOCC2)C1)c1cccc(Cl)c1 ZINC000740530236 602971224 /nfs/dbraw/zinc/97/12/24/602971224.db2.gz MZVWLYZIWPSUNN-BBRMVZONSA-N -1 1 381.860 1.829 20 0 GDADMM O=S(=O)(NC[C@@H]1CCCCO1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826490291 607599549 /nfs/dbraw/zinc/59/95/49/607599549.db2.gz PICJVWOZRFLDOP-JTQLQIEISA-N -1 1 391.375 1.733 20 0 GDADMM COC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000821666024 607604281 /nfs/dbraw/zinc/60/42/81/607604281.db2.gz SLSRSRKOEFPDKM-VIFPVBQESA-N -1 1 385.833 1.094 20 0 GDADMM COC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000821666024 607604282 /nfs/dbraw/zinc/60/42/82/607604282.db2.gz SLSRSRKOEFPDKM-VIFPVBQESA-N -1 1 385.833 1.094 20 0 GDADMM CCn1nc(C)c(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1C ZINC000825806931 607604670 /nfs/dbraw/zinc/60/46/70/607604670.db2.gz KIGVYAATSMQRAD-UHFFFAOYSA-N -1 1 379.421 1.318 20 0 GDADMM Cn1c(Cl)cnc1CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826355494 607605559 /nfs/dbraw/zinc/60/55/59/607605559.db2.gz CAOGVICSTZFGMV-UHFFFAOYSA-N -1 1 388.240 1.386 20 0 GDADMM Cn1c(Cl)cnc1CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826355494 607605560 /nfs/dbraw/zinc/60/55/60/607605560.db2.gz CAOGVICSTZFGMV-UHFFFAOYSA-N -1 1 388.240 1.386 20 0 GDADMM COCCN(Cc1cccnc1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826159278 607606335 /nfs/dbraw/zinc/60/63/35/607606335.db2.gz ZUHGHWLFTGKMLE-UHFFFAOYSA-N -1 1 392.416 1.238 20 0 GDADMM COCCN(Cc1cccnc1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826159278 607606337 /nfs/dbraw/zinc/60/63/37/607606337.db2.gz ZUHGHWLFTGKMLE-UHFFFAOYSA-N -1 1 392.416 1.238 20 0 GDADMM CN1CCN(c2ncccc2CNC(=O)NC2CCC(NC(=O)[O-])CC2)CC1 ZINC000739737525 603095249 /nfs/dbraw/zinc/09/52/49/603095249.db2.gz YJZNKXSRFWEOEM-UHFFFAOYSA-N -1 1 390.488 1.211 20 0 GDADMM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000739197603 603109963 /nfs/dbraw/zinc/10/99/63/603109963.db2.gz AQBCJCMDBKHSJM-SWLSCSKDSA-N -1 1 377.445 1.275 20 0 GDADMM COc1ccc(-c2n[nH]c(CNC(=O)N3CCC[C@@H](CNC(=O)[O-])C3)n2)cc1 ZINC000739878452 603128175 /nfs/dbraw/zinc/12/81/75/603128175.db2.gz GSXANXZSDCTLDT-LBPRGKRZSA-N -1 1 388.428 1.670 20 0 GDADMM COc1ccc(-c2nc(CNC(=O)N3CCC[C@@H](CNC(=O)[O-])C3)n[nH]2)cc1 ZINC000739878452 603128176 /nfs/dbraw/zinc/12/81/76/603128176.db2.gz GSXANXZSDCTLDT-LBPRGKRZSA-N -1 1 388.428 1.670 20 0 GDADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N1CCC[C@H]1CN(C)C(=O)[O-] ZINC000829820560 603152807 /nfs/dbraw/zinc/15/28/07/603152807.db2.gz FVRJXCPBBWEBRV-LBPRGKRZSA-N -1 1 386.412 1.091 20 0 GDADMM CN1CCN(C(C)(C)CNC(=O)Nc2cccc3c2CCN(C(=O)[O-])C3)CC1 ZINC000739735112 603289079 /nfs/dbraw/zinc/28/90/79/603289079.db2.gz OIUNXCVMPOODPD-UHFFFAOYSA-N -1 1 389.500 1.870 20 0 GDADMM Cn1cc(N2CCC[C@H](N3CCC([C@@H]4CCCN4C(=O)[O-])CC3)C2=O)cn1 ZINC000740288764 603328934 /nfs/dbraw/zinc/32/89/34/603328934.db2.gz GBEVHZXYYUVTJB-IRXDYDNUSA-N -1 1 375.473 1.770 20 0 GDADMM O=C([O-])N1CC[C@@H](CN2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)C1 ZINC000740499006 603339060 /nfs/dbraw/zinc/33/90/60/603339060.db2.gz JGGAIAABQVWFHO-DZGCQCFKSA-N -1 1 385.461 1.568 20 0 GDADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000740079252 603383906 /nfs/dbraw/zinc/38/39/06/603383906.db2.gz HMZOPUZXVYHWBG-QGZVFWFLSA-N -1 1 390.484 1.844 20 0 GDADMM O=S(=O)(c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)N(CCO)C1CC1 ZINC000826494722 607627416 /nfs/dbraw/zinc/62/74/16/607627416.db2.gz MQMQXODRKXILBC-UHFFFAOYSA-N -1 1 377.348 1.031 20 0 GDADMM COC(=O)[C@@]1(NC(=O)C[C@@H](C)NC(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000828625109 603444901 /nfs/dbraw/zinc/44/49/01/603444901.db2.gz WAYIKNYVJWFTDG-AUUYWEPGSA-N -1 1 377.441 1.357 20 0 GDADMM CC[C@H](NC(=O)[O-])C(=O)N[C@@]1(C(=O)OC)CCCN(Cc2ccccc2)C1 ZINC000827519116 603468588 /nfs/dbraw/zinc/46/85/88/603468588.db2.gz QEGXUAZHDPCGLB-KXBFYZLASA-N -1 1 377.441 1.357 20 0 GDADMM CC[C@@H](O)[C@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825153579 607632982 /nfs/dbraw/zinc/63/29/82/607632982.db2.gz IMPQUCSZRQJOPB-VXGBXAGGSA-N -1 1 385.877 1.834 20 0 GDADMM CC[C@@H](O)[C@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825153579 607632984 /nfs/dbraw/zinc/63/29/84/607632984.db2.gz IMPQUCSZRQJOPB-VXGBXAGGSA-N -1 1 385.877 1.834 20 0 GDADMM CC[C@H](O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825155064 607634025 /nfs/dbraw/zinc/63/40/25/607634025.db2.gz YFKNWQDWCBBKLR-OLZOCXBDSA-N -1 1 385.877 1.834 20 0 GDADMM CC[C@@H]1CN2CCCC[C@H]2CN1C(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1 ZINC000826690200 603523423 /nfs/dbraw/zinc/52/34/23/603523423.db2.gz JZEDACCYPZVJBR-ZBFHGGJFSA-N -1 1 390.488 1.682 20 0 GDADMM C[C@@H]1CN(C(=O)Nc2cc(C(N)=O)ccc2CN(C)C)C[C@@H](C)N1C(=O)[O-] ZINC000826007387 603562233 /nfs/dbraw/zinc/56/22/33/603562233.db2.gz IJZBZXAZAAKKIR-VXGBXAGGSA-N -1 1 377.445 1.452 20 0 GDADMM O=S(=O)(N[C@@H](CO)c1c(F)cccc1F)c1cccc(F)c1-c1nnn[n-]1 ZINC000826487038 607638434 /nfs/dbraw/zinc/63/84/34/607638434.db2.gz AYQNGUSGXXJYRW-NSHDSACASA-N -1 1 399.354 1.296 20 0 GDADMM O=S(=O)(N[C@@H](CO)c1c(F)cccc1F)c1cccc(F)c1-c1nn[n-]n1 ZINC000826487038 607638436 /nfs/dbraw/zinc/63/84/36/607638436.db2.gz AYQNGUSGXXJYRW-NSHDSACASA-N -1 1 399.354 1.296 20 0 GDADMM O=S(=O)(N[C@H](CO)c1c(F)cccc1F)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826487175 607638691 /nfs/dbraw/zinc/63/86/91/607638691.db2.gz GTVLMUUBGBTJHA-GFCCVEGCSA-N -1 1 399.354 1.296 20 0 GDADMM CCC[C@H]1CC(=O)N(CN2CCC[C@@H](C(=O)N3CCN(C(=O)[O-])CC3)C2)C1 ZINC000826770305 603594457 /nfs/dbraw/zinc/59/44/57/603594457.db2.gz YGSLURBYXROFSF-JKSUJKDBSA-N -1 1 380.489 1.127 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC(n2ccnn2)CC1 ZINC000826340807 607639111 /nfs/dbraw/zinc/63/91/11/607639111.db2.gz LSTBLMDBSNGFOI-UHFFFAOYSA-N -1 1 393.411 1.628 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC(n2ccnn2)CC1 ZINC000826340807 607639112 /nfs/dbraw/zinc/63/91/12/607639112.db2.gz LSTBLMDBSNGFOI-UHFFFAOYSA-N -1 1 393.411 1.628 20 0 GDADMM C[C@@H]1CN(Cc2ccc(CNC(=O)CC3CN(C(=O)[O-])C3)cc2)C[C@@H](C)O1 ZINC000826059496 603655702 /nfs/dbraw/zinc/65/57/02/603655702.db2.gz VYJYLIPOFHUKBJ-HUUCEWRRSA-N -1 1 375.469 1.912 20 0 GDADMM C[C@H](O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000824706903 607643569 /nfs/dbraw/zinc/64/35/69/607643569.db2.gz LLVHBZITSHEWBO-LBPRGKRZSA-N -1 1 391.428 1.578 20 0 GDADMM O=C([O-])N1CCc2cc(NC(=O)C(=O)N3CCC(c4cnc[nH]4)CC3)ccc21 ZINC000831772998 603674805 /nfs/dbraw/zinc/67/48/05/603674805.db2.gz RGJDPCBFYLQMCD-UHFFFAOYSA-N -1 1 383.408 1.795 20 0 GDADMM CN(C)[C@H](CNC(=O)C(=O)Nc1cccc(CNC(=O)[O-])c1)c1ccccc1 ZINC000827994232 603685688 /nfs/dbraw/zinc/68/56/88/603685688.db2.gz JBBOWCVXXQSGTI-QGZVFWFLSA-N -1 1 384.436 1.812 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccnc(N3CCN(C)CC3)c2)[C@@H]1CNC(=O)[O-] ZINC000825918039 603692226 /nfs/dbraw/zinc/69/22/26/603692226.db2.gz BKQLASKVIBHYET-GOEBONIOSA-N -1 1 375.473 1.342 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cccc(CN3CCN(C)CC3)c2)[C@@H]1CNC(=O)[O-] ZINC000825918159 603692461 /nfs/dbraw/zinc/69/24/61/603692461.db2.gz CWFWJQHOWCIICG-VQIMIIECSA-N -1 1 388.512 1.942 20 0 GDADMM COC(=O)[C@@H](CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)CC(C)C ZINC000826104145 607646714 /nfs/dbraw/zinc/64/67/14/607646714.db2.gz QMCOOFOQFKPIPT-SNVBAGLBSA-N -1 1 385.421 1.119 20 0 GDADMM COC(=O)[C@@H](CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)CC(C)C ZINC000826104145 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605055214 /nfs/dbraw/zinc/05/52/14/605055214.db2.gz PXXMANBXSLHCBS-JTQLQIEISA-N -1 1 394.419 1.895 20 0 GDADMM Cc1oc(NC(=O)COC(=O)c2cccc3[nH]c(=O)oc32)c(-c2nn[n-]n2)c1C ZINC000826342758 607733420 /nfs/dbraw/zinc/73/34/20/607733420.db2.gz YNSVQBKMAGAWOF-UHFFFAOYSA-N -1 1 398.335 1.719 20 0 GDADMM O=C([O-])c1occc1CNCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000833785121 605087709 /nfs/dbraw/zinc/08/77/09/605087709.db2.gz DYUCMCAPZLDNRN-HNNXBMFYSA-N -1 1 394.449 1.725 20 0 GDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000833621767 605105371 /nfs/dbraw/zinc/10/53/71/605105371.db2.gz NRNMZVMYXTVFGJ-QWHCGFSZSA-N -1 1 395.406 1.325 20 0 GDADMM CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(-n3[n-]c(CC(=O)[O-])cc3=O)cc2)C[C@@H]1C ZINC000833659175 605133480 /nfs/dbraw/zinc/13/34/80/605133480.db2.gz YVFPAUNJXLKOOA-UONOGXRCSA-N -1 1 386.452 1.347 20 0 GDADMM CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(-n3[n-]c(CC(=O)[O-])cc3=O)cc2)C[C@@H]1C ZINC000833659175 605133484 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391.468 1.699 20 0 GDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000833620672 605204509 /nfs/dbraw/zinc/20/45/09/605204509.db2.gz MASCYNRGFLSPCP-CJNGLKHVSA-N -1 1 393.871 1.700 20 0 GDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1 ZINC000833623117 605205226 /nfs/dbraw/zinc/20/52/26/605205226.db2.gz QMRUIAPCNVMOGM-LHRNQBEKSA-N -1 1 395.481 1.079 20 0 GDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1 ZINC000833623111 605205346 /nfs/dbraw/zinc/20/53/46/605205346.db2.gz QMRUIAPCNVMOGM-BMWLXYDHSA-N -1 1 395.481 1.079 20 0 GDADMM CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN(CCOc2ccccc2C(=O)[O-])C1 ZINC000833389841 605213001 /nfs/dbraw/zinc/21/30/01/605213001.db2.gz XXUNLPNEKQWHIF-OAHLLOKOSA-N -1 1 388.424 1.578 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(OCC(F)(F)F)nc2)CCN1CCC(=O)[O-] ZINC000833619667 605258820 /nfs/dbraw/zinc/25/88/20/605258820.db2.gz DILDQRAKJIOTKV-LLVKDONJSA-N -1 1 375.347 1.644 20 0 GDADMM CC1CCC(N2C[C@H](C(=O)N3CCN(CCC(=O)[O-])[C@H](C)C3)CC2=O)CC1 ZINC000833604893 605275786 /nfs/dbraw/zinc/27/57/86/605275786.db2.gz WYKHMIYZWVTAEZ-JCCCHCCOSA-N -1 1 379.501 1.421 20 0 GDADMM C[C@H]1CN(C(=O)[C@H]2CSCN2C(=O)CC(C)(C)C)CCN1CCC(=O)[O-] ZINC000833618035 605278187 /nfs/dbraw/zinc/27/81/87/605278187.db2.gz JVORUTUPMZBACW-UONOGXRCSA-N -1 1 385.530 1.332 20 0 GDADMM CCN(CC)C(=O)CN1CCCN(Cc2ccc(OCC(=O)[O-])cc2)CC1 ZINC000833653764 605293684 /nfs/dbraw/zinc/29/36/84/605293684.db2.gz HLIRMAXHMNHDOD-UHFFFAOYSA-N -1 1 377.485 1.526 20 0 GDADMM C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c2cccnc2O1 ZINC000824991594 607747825 /nfs/dbraw/zinc/74/78/25/607747825.db2.gz CQSQLZPLPVKXCN-VIFPVBQESA-N -1 1 376.373 1.377 20 0 GDADMM CC1=C(C(=O)[O-])C[C@H](CN(C)CCCOc2ccc(S(C)(=O)=O)cc2)O1 ZINC000833579165 605322943 /nfs/dbraw/zinc/32/29/43/605322943.db2.gz YGPVJMYDPMAHNT-OAHLLOKOSA-N -1 1 383.466 1.938 20 0 GDADMM O=C([O-])N1CCO[C@@H](C(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)C1 ZINC000834116499 605376060 /nfs/dbraw/zinc/37/60/60/605376060.db2.gz LCNHFBYLJOPDCG-HUUCEWRRSA-N -1 1 391.472 1.937 20 0 GDADMM O=C([O-])N1CC[C@H](N(C(=O)NC2CCN(Cc3ccncc3)CC2)C2CC2)C1 ZINC000831929845 605384499 /nfs/dbraw/zinc/38/44/99/605384499.db2.gz XFJKVTTUQWADHF-SFHVURJKSA-N -1 1 387.484 1.972 20 0 GDADMM COC(=O)c1cc(NC(=O)CN(C)C[C@H]2CCCC[C@@H]2O)cc(C(=O)[O-])c1 ZINC000833712512 605393587 /nfs/dbraw/zinc/39/35/87/605393587.db2.gz FIIOYYJLFRDAAY-WBMJQRKESA-N -1 1 378.425 1.593 20 0 GDADMM O=C([O-])N[C@@H]1CCC[C@@H]2CN(CC(=O)Nc3ccc4c(c3)OCCO4)C[C@H]21 ZINC000834187941 605441545 /nfs/dbraw/zinc/44/15/45/605441545.db2.gz NMDUXICIKXZEKO-BPLDGKMQSA-N -1 1 375.425 1.764 20 0 GDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C=CC(=O)Nc1ccc2n[nH]cc2c1 ZINC000833624331 605475222 /nfs/dbraw/zinc/47/52/22/605475222.db2.gz UKQMBUGKRPOXAS-MUBLQREKSA-N -1 1 385.424 1.065 20 0 GDADMM O=C([O-])N1CCC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2cnc3ccccn23)C1 ZINC000834031437 605520641 /nfs/dbraw/zinc/52/06/41/605520641.db2.gz ZHIZFNQTWZFYJA-RDJZCZTQSA-N -1 1 385.468 1.805 20 0 GDADMM COc1ccccc1[C@@H](CNC(=O)N[C@@H](C)Cc1cc(C)[nH]n1)NC(=O)[O-] ZINC000829599349 605571722 /nfs/dbraw/zinc/57/17/22/605571722.db2.gz UMJXTFGSSTYSHW-XHDPSFHLSA-N -1 1 375.429 1.966 20 0 GDADMM O=C([O-])N1CCc2ccccc2[C@@H]1C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000831292967 605734114 /nfs/dbraw/zinc/73/41/14/605734114.db2.gz UPEVTJIYVDNHQM-LJQANCHMSA-N -1 1 387.480 1.835 20 0 GDADMM O=C([O-])N1CCC(NC(=O)N2CCC(CCCN3CCOCC3)CC2)CC1 ZINC000834082120 605758800 /nfs/dbraw/zinc/75/88/00/605758800.db2.gz GKRQDEZKFJBIHW-UHFFFAOYSA-N -1 1 382.505 1.663 20 0 GDADMM COC(=O)c1cccc2nc(NS(=O)(=O)Cc3cccc(C(=O)[O-])c3)[nH]c21 ZINC000833716510 605784574 /nfs/dbraw/zinc/78/45/74/605784574.db2.gz JVTJAFDHNWSMPJ-UHFFFAOYSA-N -1 1 389.389 1.990 20 0 GDADMM C[C@H](CNC(=O)[O-])CNC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000833807470 605823500 /nfs/dbraw/zinc/82/35/00/605823500.db2.gz KMXIOASIYKFEGE-BHYGNILZSA-N -1 1 378.473 1.072 20 0 GDADMM C[C@@H]1C[C@H](CNC(=O)[O-])CN1CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000833830917 605896505 /nfs/dbraw/zinc/89/65/05/605896505.db2.gz LIGPJHUVHGAUIT-QOLSXCEWSA-N -1 1 392.500 1.759 20 0 GDADMM COc1cc(NC2CCN(c3nccnc3-c3nnn[n-]3)CC2)cc(OC)c1 ZINC000821719891 606104294 /nfs/dbraw/zinc/10/42/94/606104294.db2.gz JDBKQECDZVWFTH-UHFFFAOYSA-N -1 1 382.428 1.755 20 0 GDADMM COc1cc(NC2CCN(c3nccnc3-c3nn[n-]n3)CC2)cc(OC)c1 ZINC000821719891 606104295 /nfs/dbraw/zinc/10/42/95/606104295.db2.gz JDBKQECDZVWFTH-UHFFFAOYSA-N -1 1 382.428 1.755 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(-c3nn[nH]n3)ccc2C)ccc1F ZINC000821668175 606118774 /nfs/dbraw/zinc/11/87/74/606118774.db2.gz TWWGMDZFUNKLHP-UHFFFAOYSA-N -1 1 391.384 1.902 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@H](C)c2ncc(C)s2)cc1-c1nn[n-]n1 ZINC000821970451 606128405 /nfs/dbraw/zinc/12/84/05/606128405.db2.gz OBLMDDXWBMWTKX-SSDOTTSWSA-N -1 1 377.455 1.945 20 0 GDADMM CC(=O)Nc1ccc(NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000819818724 606133402 /nfs/dbraw/zinc/13/34/02/606133402.db2.gz VBRMTVMIJNIRAU-UHFFFAOYSA-N -1 1 386.393 1.682 20 0 GDADMM CC(=O)Nc1ccc(NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000819818724 606133404 /nfs/dbraw/zinc/13/34/04/606133404.db2.gz VBRMTVMIJNIRAU-UHFFFAOYSA-N -1 1 386.393 1.682 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)NCC(=O)c1cccs1 ZINC000823027610 606136160 /nfs/dbraw/zinc/13/61/60/606136160.db2.gz YGDOMSNRFAGCCN-UHFFFAOYSA-N -1 1 377.407 1.146 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)NCC(=O)c1cccs1 ZINC000823027610 606136161 /nfs/dbraw/zinc/13/61/61/606136161.db2.gz YGDOMSNRFAGCCN-UHFFFAOYSA-N -1 1 377.407 1.146 20 0 GDADMM COc1ccc(CN(C)C(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821795396 606137523 /nfs/dbraw/zinc/13/75/23/606137523.db2.gz YUUURALRNOJJQS-UHFFFAOYSA-N -1 1 387.421 1.752 20 0 GDADMM COc1ccc(CN(C)C(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821795396 606137525 /nfs/dbraw/zinc/13/75/25/606137525.db2.gz YUUURALRNOJJQS-UHFFFAOYSA-N -1 1 387.421 1.752 20 0 GDADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC000821990875 606152212 /nfs/dbraw/zinc/15/22/12/606152212.db2.gz XLKIQPLBSOHACA-UHFFFAOYSA-N -1 1 375.389 1.462 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1 ZINC000822608693 606155485 /nfs/dbraw/zinc/15/54/85/606155485.db2.gz HHVQTEOPLXEFOF-NSHDSACASA-N -1 1 389.464 1.006 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1 ZINC000822608693 606155486 /nfs/dbraw/zinc/15/54/86/606155486.db2.gz HHVQTEOPLXEFOF-NSHDSACASA-N -1 1 389.464 1.006 20 0 GDADMM CN(CC(=O)Nc1cccc(Cl)c1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821593850 606157249 /nfs/dbraw/zinc/15/72/49/606157249.db2.gz MTTBHNYTFQNEDI-UHFFFAOYSA-N -1 1 389.807 1.356 20 0 GDADMM CN(CC(=O)Nc1cccc(Cl)c1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821593850 606157250 /nfs/dbraw/zinc/15/72/50/606157250.db2.gz MTTBHNYTFQNEDI-UHFFFAOYSA-N -1 1 389.807 1.356 20 0 GDADMM COc1ccc([C@@H]2CCCN2C(=O)Nc2nn(C)cc2-c2nnn[n-]2)c(OC)c1 ZINC000821782495 606158988 /nfs/dbraw/zinc/15/89/88/606158988.db2.gz GBCOALMYJGSXMZ-AWEZNQCLSA-N -1 1 398.427 1.986 20 0 GDADMM COc1ccc([C@@H]2CCCN2C(=O)Nc2nn(C)cc2-c2nn[n-]n2)c(OC)c1 ZINC000821782495 606158990 /nfs/dbraw/zinc/15/89/90/606158990.db2.gz GBCOALMYJGSXMZ-AWEZNQCLSA-N -1 1 398.427 1.986 20 0 GDADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1cccc(N2CCOC2=O)c1 ZINC000820380072 606159478 /nfs/dbraw/zinc/15/94/78/606159478.db2.gz KTFVQHWTBQFXRY-JTQLQIEISA-N -1 1 397.399 1.440 20 0 GDADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1cccc(N2CCOC2=O)c1 ZINC000820380072 606159480 /nfs/dbraw/zinc/15/94/80/606159480.db2.gz KTFVQHWTBQFXRY-JTQLQIEISA-N -1 1 397.399 1.440 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)n1 ZINC000822619862 606159484 /nfs/dbraw/zinc/15/94/84/606159484.db2.gz IQALXPMXVRENRA-CYBMUJFWSA-N -1 1 384.400 1.802 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)n1 ZINC000822619862 606159486 /nfs/dbraw/zinc/15/94/86/606159486.db2.gz IQALXPMXVRENRA-CYBMUJFWSA-N -1 1 384.400 1.802 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccccc2OC(F)(F)F)n1 ZINC000822620178 606160333 /nfs/dbraw/zinc/16/03/33/606160333.db2.gz KKDOZRBKANKROB-UHFFFAOYSA-N -1 1 382.306 1.821 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccccc2OC(F)(F)F)n1 ZINC000822620178 606160335 /nfs/dbraw/zinc/16/03/35/606160335.db2.gz KKDOZRBKANKROB-UHFFFAOYSA-N -1 1 382.306 1.821 20 0 GDADMM CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC000821065665 606160706 /nfs/dbraw/zinc/16/07/06/606160706.db2.gz LKQCKERTYLTTCJ-RYUDHWBXSA-N -1 1 389.464 1.149 20 0 GDADMM CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC000821065665 606160709 /nfs/dbraw/zinc/16/07/09/606160709.db2.gz LKQCKERTYLTTCJ-RYUDHWBXSA-N -1 1 389.464 1.149 20 0 GDADMM COC(=O)Nc1ccc(CCNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000821665202 606163904 /nfs/dbraw/zinc/16/39/04/606163904.db2.gz ZVSYTFSDJHOICT-UHFFFAOYSA-N -1 1 385.388 1.143 20 0 GDADMM COC(=O)Nc1ccc(CCNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000821665202 606163905 /nfs/dbraw/zinc/16/39/05/606163905.db2.gz ZVSYTFSDJHOICT-UHFFFAOYSA-N -1 1 385.388 1.143 20 0 GDADMM COc1ccc(OC2CCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CC2)cc1 ZINC000821842612 606168960 /nfs/dbraw/zinc/16/89/60/606168960.db2.gz UEOARRMULFSPAO-UHFFFAOYSA-N -1 1 398.427 1.684 20 0 GDADMM COc1ccc(OC2CCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CC2)cc1 ZINC000821842612 606168962 /nfs/dbraw/zinc/16/89/62/606168962.db2.gz UEOARRMULFSPAO-UHFFFAOYSA-N -1 1 398.427 1.684 20 0 GDADMM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Cn1cccc(-c2nn[n-]n2)c1=O ZINC000820219393 606176781 /nfs/dbraw/zinc/17/67/81/606176781.db2.gz GCDYGCAZIHJWTL-AWEZNQCLSA-N -1 1 378.436 1.856 20 0 GDADMM C[C@H](C(=O)OC(C)(C)C)N(C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000819884165 606201801 /nfs/dbraw/zinc/20/18/01/606201801.db2.gz SKEUABFFQLYZIR-SECBINFHSA-N -1 1 385.421 1.357 20 0 GDADMM C[C@H](C(=O)OC(C)(C)C)N(C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000819884165 606201803 /nfs/dbraw/zinc/20/18/03/606201803.db2.gz SKEUABFFQLYZIR-SECBINFHSA-N -1 1 385.421 1.357 20 0 GDADMM CC(C)(NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)c(F)c1 ZINC000819991620 606201844 /nfs/dbraw/zinc/20/18/44/606201844.db2.gz JVBWSKXVXGTUHE-UHFFFAOYSA-N -1 1 380.380 1.754 20 0 GDADMM CC(C)(NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)c(F)c1 ZINC000819991620 606201846 /nfs/dbraw/zinc/20/18/46/606201846.db2.gz JVBWSKXVXGTUHE-UHFFFAOYSA-N -1 1 380.380 1.754 20 0 GDADMM O=C([O-])c1cc(S(=O)(=O)Nc2cc(-c3nn[nH]n3)ccc2O)cc(F)c1F ZINC000823387425 606212331 /nfs/dbraw/zinc/21/23/31/606212331.db2.gz JJEVJLXIIQIPIH-UHFFFAOYSA-N -1 1 397.319 1.350 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H](C)CC[S@@](C)=O ZINC000822535649 606287053 /nfs/dbraw/zinc/28/70/53/606287053.db2.gz ZJDCNHWLUKKPDT-AFNXNYLOSA-N -1 1 376.442 1.446 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H](C)CC[S@@](C)=O ZINC000822535649 606287055 /nfs/dbraw/zinc/28/70/55/606287055.db2.gz ZJDCNHWLUKKPDT-AFNXNYLOSA-N -1 1 376.442 1.446 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000823518874 606296269 /nfs/dbraw/zinc/29/62/69/606296269.db2.gz ARPWHPTXQALAOZ-ZDUSSCGKSA-N -1 1 392.375 1.030 20 0 GDADMM O=C(NC[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1)c1ccccc1 ZINC000823176038 606365242 /nfs/dbraw/zinc/36/52/42/606365242.db2.gz PCSCZVXLIKGITK-AWEZNQCLSA-N -1 1 391.435 1.544 20 0 GDADMM O=C(NC[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1)c1ccccc1 ZINC000823176038 606365243 /nfs/dbraw/zinc/36/52/43/606365243.db2.gz PCSCZVXLIKGITK-AWEZNQCLSA-N -1 1 391.435 1.544 20 0 GDADMM CCCCO[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1(C)C ZINC000821072947 606433363 /nfs/dbraw/zinc/43/33/63/606433363.db2.gz XBTVZZKIOUWRPS-LSDHHAIUSA-N -1 1 394.501 1.866 20 0 GDADMM CCCCO[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1(C)C ZINC000821072947 606433364 /nfs/dbraw/zinc/43/33/64/606433364.db2.gz XBTVZZKIOUWRPS-LSDHHAIUSA-N -1 1 394.501 1.866 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N(CC1CCC1)CC(F)(F)F ZINC000823599953 606435990 /nfs/dbraw/zinc/43/59/90/606435990.db2.gz AYOUMMAYBZYXHS-UHFFFAOYSA-N -1 1 376.364 1.615 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N(CC1CCC1)CC(F)(F)F ZINC000823599953 606435992 /nfs/dbraw/zinc/43/59/92/606435992.db2.gz AYOUMMAYBZYXHS-UHFFFAOYSA-N -1 1 376.364 1.615 20 0 GDADMM CC(C)c1noc(-c2ccnc(NCCCc3[nH]nc(N)c3-c3nnn[n-]3)c2)n1 ZINC000820211759 606441161 /nfs/dbraw/zinc/44/11/61/606441161.db2.gz WPHGFWCKGBMSEO-UHFFFAOYSA-N -1 1 395.431 1.785 20 0 GDADMM CC(C)c1noc(-c2ccnc(NCCCc3[nH]nc(N)c3-c3nn[n-]n3)c2)n1 ZINC000820211759 606441163 /nfs/dbraw/zinc/44/11/63/606441163.db2.gz WPHGFWCKGBMSEO-UHFFFAOYSA-N -1 1 395.431 1.785 20 0 GDADMM CCn1c(Sc2ccc(Cl)c(-c3nnn[n-]3)n2)nnc1N1CCOCC1 ZINC000821565180 606446909 /nfs/dbraw/zinc/44/69/09/606446909.db2.gz HQHQIMOQNQBDAP-UHFFFAOYSA-N -1 1 393.864 1.514 20 0 GDADMM CCn1c(Sc2ccc(Cl)c(-c3nn[n-]n3)n2)nnc1N1CCOCC1 ZINC000821565180 606446911 /nfs/dbraw/zinc/44/69/11/606446911.db2.gz HQHQIMOQNQBDAP-UHFFFAOYSA-N -1 1 393.864 1.514 20 0 GDADMM C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820563719 606449393 /nfs/dbraw/zinc/44/93/93/606449393.db2.gz UKFLFVBONHXXSL-VIFPVBQESA-N -1 1 393.860 1.760 20 0 GDADMM C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820563719 606449395 /nfs/dbraw/zinc/44/93/95/606449395.db2.gz UKFLFVBONHXXSL-VIFPVBQESA-N -1 1 393.860 1.760 20 0 GDADMM CC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000820137934 606492813 /nfs/dbraw/zinc/49/28/13/606492813.db2.gz QLBLMVRVABTNBH-UHFFFAOYSA-N -1 1 392.466 1.867 20 0 GDADMM CC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000820137934 606492814 /nfs/dbraw/zinc/49/28/14/606492814.db2.gz QLBLMVRVABTNBH-UHFFFAOYSA-N -1 1 392.466 1.867 20 0 GDADMM O=C(NC1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1)c1ccccc1 ZINC000823151088 606499904 /nfs/dbraw/zinc/49/99/04/606499904.db2.gz WPASRSDYAKXCDK-UHFFFAOYSA-N -1 1 382.449 1.963 20 0 GDADMM O=C(NC1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1)c1ccccc1 ZINC000823151088 606499907 /nfs/dbraw/zinc/49/99/07/606499907.db2.gz WPASRSDYAKXCDK-UHFFFAOYSA-N -1 1 382.449 1.963 20 0 GDADMM O=C(NC[C@H](c1ccccc1)N1CCOCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823165919 606502024 /nfs/dbraw/zinc/50/20/24/606502024.db2.gz BXFAIIMBIIQZFV-CQSZACIVSA-N -1 1 384.465 1.732 20 0 GDADMM O=C(NC[C@H](c1ccccc1)N1CCOCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823165919 606502025 /nfs/dbraw/zinc/50/20/25/606502025.db2.gz BXFAIIMBIIQZFV-CQSZACIVSA-N -1 1 384.465 1.732 20 0 GDADMM C[C@@H]1CN(C[C@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)s2)C[C@H](C)O1 ZINC000820750678 606534574 /nfs/dbraw/zinc/53/45/74/606534574.db2.gz CJIMVJNFLGJVBF-FRRDWIJNSA-N -1 1 376.486 1.642 20 0 GDADMM NC(=O)c1ccn(-c2ccc(NC(=O)c3ccc(-c4nnn[n-]4)s3)cc2)n1 ZINC000822890202 606544572 /nfs/dbraw/zinc/54/45/72/606544572.db2.gz PPLSTQXOQXVZCZ-UHFFFAOYSA-N -1 1 380.393 1.465 20 0 GDADMM NC(=O)c1ccn(-c2ccc(NC(=O)c3ccc(-c4nn[n-]n4)s3)cc2)n1 ZINC000822890202 606544574 /nfs/dbraw/zinc/54/45/74/606544574.db2.gz PPLSTQXOQXVZCZ-UHFFFAOYSA-N -1 1 380.393 1.465 20 0 GDADMM CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821637854 606547033 /nfs/dbraw/zinc/54/70/33/606547033.db2.gz WMGFKSHGGLOGNG-SECBINFHSA-N -1 1 392.466 1.327 20 0 GDADMM CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821637854 606547034 /nfs/dbraw/zinc/54/70/34/606547034.db2.gz WMGFKSHGGLOGNG-SECBINFHSA-N -1 1 392.466 1.327 20 0 GDADMM COC(=O)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)Cc1cccc(C)c1 ZINC000821640977 606553642 /nfs/dbraw/zinc/55/36/42/606553642.db2.gz SVOSFAALMRFOFF-ZDUSSCGKSA-N -1 1 385.449 1.998 20 0 GDADMM COC(=O)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)Cc1cccc(C)c1 ZINC000821640977 606553644 /nfs/dbraw/zinc/55/36/44/606553644.db2.gz SVOSFAALMRFOFF-ZDUSSCGKSA-N -1 1 385.449 1.998 20 0 GDADMM COC[C@H]1CCCN1C(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000821684096 606581116 /nfs/dbraw/zinc/58/11/16/606581116.db2.gz RSDXLRDUTGGHFM-CYBMUJFWSA-N -1 1 384.444 1.096 20 0 GDADMM COC[C@H]1CCCN1C(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000821684096 606581117 /nfs/dbraw/zinc/58/11/17/606581117.db2.gz RSDXLRDUTGGHFM-CYBMUJFWSA-N -1 1 384.444 1.096 20 0 GDADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1cccc(S(N)(=O)=O)c1 ZINC000820396024 606589633 /nfs/dbraw/zinc/58/96/33/606589633.db2.gz BTBMGHDLUHNQQY-QMMMGPOBSA-N -1 1 378.439 1.067 20 0 GDADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1cccc(S(N)(=O)=O)c1 ZINC000820396024 606589635 /nfs/dbraw/zinc/58/96/35/606589635.db2.gz BTBMGHDLUHNQQY-QMMMGPOBSA-N -1 1 378.439 1.067 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)C1CCN(C(=O)N2CCCC2)CC1 ZINC000823436338 606647564 /nfs/dbraw/zinc/64/75/64/606647564.db2.gz QKRLMBYYWQCOEY-UHFFFAOYSA-N -1 1 385.428 1.233 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)C1CCN(C(=O)N2CCCC2)CC1 ZINC000823436338 606647565 /nfs/dbraw/zinc/64/75/65/606647565.db2.gz QKRLMBYYWQCOEY-UHFFFAOYSA-N -1 1 385.428 1.233 20 0 GDADMM NC(=O)CSc1ccccc1[N-]C(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000822873796 606667105 /nfs/dbraw/zinc/66/71/05/606667105.db2.gz JZXMTYKSLKGLBA-UHFFFAOYSA-N -1 1 390.375 1.975 20 0 GDADMM CC1(C)c2cc(S(=O)(=O)[N-]c3cccc(-c4nn[nH]n4)c3)ccc2NC1=O ZINC000534993907 606706669 /nfs/dbraw/zinc/70/66/69/606706669.db2.gz SMKKGBILNQSDQQ-UHFFFAOYSA-N -1 1 384.421 1.897 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCOc2ccc(F)cc21 ZINC000823601233 606713828 /nfs/dbraw/zinc/71/38/28/606713828.db2.gz XGXROVHMSWGUAZ-UHFFFAOYSA-N -1 1 379.348 1.733 20 0 GDADMM COCCC1(CNC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)CCC1 ZINC000821686372 606740337 /nfs/dbraw/zinc/74/03/37/606740337.db2.gz MPZCEPSXRXIAKC-UHFFFAOYSA-N -1 1 388.472 1.840 20 0 GDADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000821637484 606762808 /nfs/dbraw/zinc/76/28/08/606762808.db2.gz HQSQKFRUYXIOHL-VIFPVBQESA-N -1 1 377.382 1.286 20 0 GDADMM CCCn1nccc1NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821149387 606767728 /nfs/dbraw/zinc/76/77/28/606767728.db2.gz XTMYXPLQCSWSEA-LBPRGKRZSA-N -1 1 397.447 1.006 20 0 GDADMM CCCn1nccc1NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821149387 606767730 /nfs/dbraw/zinc/76/77/30/606767730.db2.gz XTMYXPLQCSWSEA-LBPRGKRZSA-N -1 1 397.447 1.006 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1ncc(C(C)(C)C)o1 ZINC000820804202 606780970 /nfs/dbraw/zinc/78/09/70/606780970.db2.gz NWWMTPVONKCLCF-GFCCVEGCSA-N -1 1 383.460 1.653 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1ncc(C(C)(C)C)o1 ZINC000820804202 606780972 /nfs/dbraw/zinc/78/09/72/606780972.db2.gz NWWMTPVONKCLCF-GFCCVEGCSA-N -1 1 383.460 1.653 20 0 GDADMM COC(=O)c1cc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)oc1C ZINC000821666974 606783159 /nfs/dbraw/zinc/78/31/59/606783159.db2.gz OIKYANUXTSEYGM-LLVKDONJSA-N -1 1 398.427 1.055 20 0 GDADMM COC(=O)c1cc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)oc1C ZINC000821666974 606783161 /nfs/dbraw/zinc/78/31/61/606783161.db2.gz OIKYANUXTSEYGM-LLVKDONJSA-N -1 1 398.427 1.055 20 0 GDADMM CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820978659 606789165 /nfs/dbraw/zinc/78/91/65/606789165.db2.gz BTWKUUAUNRFAJQ-ZNMIVQPWSA-N -1 1 399.503 1.846 20 0 GDADMM CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820978659 606789167 /nfs/dbraw/zinc/78/91/67/606789167.db2.gz BTWKUUAUNRFAJQ-ZNMIVQPWSA-N -1 1 399.503 1.846 20 0 GDADMM C[C@H](NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)C1CCCC1 ZINC000820351228 606791835 /nfs/dbraw/zinc/79/18/35/606791835.db2.gz NCFNPLBLYYSOSR-OLZOCXBDSA-N -1 1 385.476 1.456 20 0 GDADMM C[C@H](NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)C1CCCC1 ZINC000820351228 606791837 /nfs/dbraw/zinc/79/18/37/606791837.db2.gz NCFNPLBLYYSOSR-OLZOCXBDSA-N -1 1 385.476 1.456 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CC[C@H](Oc2cccnc2)C1 ZINC000823600382 606795552 /nfs/dbraw/zinc/79/55/52/606795552.db2.gz GYFJBUCWPQLFEW-LBPRGKRZSA-N -1 1 390.400 1.243 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000823607439 606795571 /nfs/dbraw/zinc/79/55/71/606795571.db2.gz VQTNYCKYVPKZPF-GFCCVEGCSA-N -1 1 390.400 1.243 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000823607439 606795574 /nfs/dbraw/zinc/79/55/74/606795574.db2.gz VQTNYCKYVPKZPF-GFCCVEGCSA-N -1 1 390.400 1.243 20 0 GDADMM CC(C)CC1(CNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)CC1 ZINC000820062396 606797329 /nfs/dbraw/zinc/79/73/29/606797329.db2.gz LOFHZYBZIGEZOD-AWEZNQCLSA-N -1 1 399.503 1.703 20 0 GDADMM CC(C)CC1(CNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)CC1 ZINC000820062396 606797331 /nfs/dbraw/zinc/79/73/31/606797331.db2.gz LOFHZYBZIGEZOD-AWEZNQCLSA-N -1 1 399.503 1.703 20 0 GDADMM Cc1cccc2ncnc(N3CCN(c4nccnc4-c4nnn[n-]4)C[C@@H]3C)c12 ZINC000822340752 606810030 /nfs/dbraw/zinc/81/00/30/606810030.db2.gz GEMLUJDXKPJVAO-ZDUSSCGKSA-N -1 1 388.439 1.623 20 0 GDADMM Cc1cccc2ncnc(N3CCN(c4nccnc4-c4nn[n-]n4)C[C@@H]3C)c12 ZINC000822340752 606810032 /nfs/dbraw/zinc/81/00/32/606810032.db2.gz GEMLUJDXKPJVAO-ZDUSSCGKSA-N -1 1 388.439 1.623 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cnc(C2CC2)s1 ZINC000820788382 606820313 /nfs/dbraw/zinc/82/03/13/606820313.db2.gz FVOZSFNXEKUDPJ-SNVBAGLBSA-N -1 1 397.468 1.342 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cnc(C2CC2)s1 ZINC000820788382 606820315 /nfs/dbraw/zinc/82/03/15/606820315.db2.gz FVOZSFNXEKUDPJ-SNVBAGLBSA-N -1 1 397.468 1.342 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc(Cl)cn1 ZINC000820788467 606821770 /nfs/dbraw/zinc/82/17/70/606821770.db2.gz HRJKUHHNVWVXPD-JTQLQIEISA-N -1 1 385.819 1.056 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc(Cl)cn1 ZINC000820788467 606821772 /nfs/dbraw/zinc/82/17/72/606821772.db2.gz HRJKUHHNVWVXPD-JTQLQIEISA-N -1 1 385.819 1.056 20 0 GDADMM Cc1cccc([C@@H](C)C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1 ZINC000822288678 606822501 /nfs/dbraw/zinc/82/25/01/606822501.db2.gz GCSODBIKYMDNEG-HUUCEWRRSA-N -1 1 392.467 1.806 20 0 GDADMM Cc1cccc([C@@H](C)C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1 ZINC000822288678 606822503 /nfs/dbraw/zinc/82/25/03/606822503.db2.gz GCSODBIKYMDNEG-HUUCEWRRSA-N -1 1 392.467 1.806 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)Cc1cccc(F)c1 ZINC000820774366 606822964 /nfs/dbraw/zinc/82/29/64/606822964.db2.gz BJUGDVUXOIIMQL-LBPRGKRZSA-N -1 1 382.403 1.076 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)Cc1cccc(F)c1 ZINC000820774366 606822965 /nfs/dbraw/zinc/82/29/65/606822965.db2.gz BJUGDVUXOIIMQL-LBPRGKRZSA-N -1 1 382.403 1.076 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@H]1Cc2ccccc21 ZINC000820777513 606823220 /nfs/dbraw/zinc/82/32/20/606823220.db2.gz RVNGGOJMQDHFBY-WFASDCNBSA-N -1 1 376.424 1.034 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@H]1Cc2ccccc21 ZINC000820777513 606823222 /nfs/dbraw/zinc/82/32/22/606823222.db2.gz RVNGGOJMQDHFBY-WFASDCNBSA-N -1 1 376.424 1.034 20 0 GDADMM CCCOCc1ccccc1CNC(=O)Cn1cccc(-c2nn[n-]n2)c1=O ZINC000821127215 606824801 /nfs/dbraw/zinc/82/48/01/606824801.db2.gz CZGCPVHGHUQZLZ-UHFFFAOYSA-N -1 1 382.424 1.271 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc(Cl)cc1 ZINC000820788315 606824840 /nfs/dbraw/zinc/82/48/40/606824840.db2.gz DBWANLZAOAYVNQ-LLVKDONJSA-N -1 1 384.831 1.661 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc(Cl)cc1 ZINC000820788315 606824841 /nfs/dbraw/zinc/82/48/41/606824841.db2.gz DBWANLZAOAYVNQ-LLVKDONJSA-N -1 1 384.831 1.661 20 0 GDADMM COc1csc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1 ZINC000821910872 606825775 /nfs/dbraw/zinc/82/57/75/606825775.db2.gz JKPNRRLKDNYQPU-SNVBAGLBSA-N -1 1 386.441 1.078 20 0 GDADMM COc1csc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1 ZINC000821910872 606825777 /nfs/dbraw/zinc/82/57/77/606825777.db2.gz JKPNRRLKDNYQPU-SNVBAGLBSA-N -1 1 386.441 1.078 20 0 GDADMM C[C@@H]1CCCC[C@@H]1CNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820696747 606832961 /nfs/dbraw/zinc/83/29/61/606832961.db2.gz BTLWTIMNLWXTAY-RBSFLKMASA-N -1 1 399.503 1.703 20 0 GDADMM C[C@@H]1CCCC[C@@H]1CNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820696747 606832963 /nfs/dbraw/zinc/83/29/63/606832963.db2.gz BTLWTIMNLWXTAY-RBSFLKMASA-N -1 1 399.503 1.703 20 0 GDADMM Cc1cc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)sn1 ZINC000822208428 606836164 /nfs/dbraw/zinc/83/61/64/606836164.db2.gz RBEUVDLGBPPYSZ-JTQLQIEISA-N -1 1 386.445 1.164 20 0 GDADMM Cc1cc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)sn1 ZINC000822208428 606836166 /nfs/dbraw/zinc/83/61/66/606836166.db2.gz RBEUVDLGBPPYSZ-JTQLQIEISA-N -1 1 386.445 1.164 20 0 GDADMM Cc1cc([C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)no1 ZINC000822198550 606840994 /nfs/dbraw/zinc/84/09/94/606840994.db2.gz ACGRFSQEBHHMPN-CYBMUJFWSA-N -1 1 378.389 1.828 20 0 GDADMM Cc1cccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1O ZINC000822284371 606855792 /nfs/dbraw/zinc/85/57/92/606855792.db2.gz QGUAQQCFQZPNDX-LBPRGKRZSA-N -1 1 380.412 1.022 20 0 GDADMM Cc1cccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1O ZINC000822284371 606855794 /nfs/dbraw/zinc/85/57/94/606855794.db2.gz QGUAQQCFQZPNDX-LBPRGKRZSA-N -1 1 380.412 1.022 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCO[C@@H](c2ccsc2)C1 ZINC000823606506 606941035 /nfs/dbraw/zinc/94/10/35/606941035.db2.gz JJLRIOZSJNKHKY-GFCCVEGCSA-N -1 1 395.441 1.830 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCO[C@@H](c2ccsc2)C1 ZINC000823606506 606941036 /nfs/dbraw/zinc/94/10/36/606941036.db2.gz JJLRIOZSJNKHKY-GFCCVEGCSA-N -1 1 395.441 1.830 20 0 GDADMM CCc1cc(=O)[nH]c(CN2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)n1 ZINC000821476640 606963945 /nfs/dbraw/zinc/96/39/45/606963945.db2.gz QPFMODRENGKZFN-UHFFFAOYSA-N -1 1 397.443 1.112 20 0 GDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000823382860 607025217 /nfs/dbraw/zinc/02/52/17/607025217.db2.gz FKOHNWLXJARCJR-LLVKDONJSA-N -1 1 385.409 1.693 20 0 GDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000823382860 607025219 /nfs/dbraw/zinc/02/52/19/607025219.db2.gz FKOHNWLXJARCJR-LLVKDONJSA-N -1 1 385.409 1.693 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Nc1cc(C)cn(C)c1=O ZINC000822208151 607099144 /nfs/dbraw/zinc/09/91/44/607099144.db2.gz DHBRYEBIYLSMDX-UHFFFAOYSA-N -1 1 379.380 1.818 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCC[C@H](C)[S@](C)=O ZINC000822541773 607099168 /nfs/dbraw/zinc/09/91/68/607099168.db2.gz QHTYDKBUTBZDHM-ZHZWEUQESA-N -1 1 376.442 1.446 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCC[C@H](C)[S@](C)=O ZINC000822541773 607099169 /nfs/dbraw/zinc/09/91/69/607099169.db2.gz QHTYDKBUTBZDHM-ZHZWEUQESA-N -1 1 376.442 1.446 20 0 GDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@@H]1CCCN1c1ncnc2sccc21 ZINC000823379737 607105261 /nfs/dbraw/zinc/10/52/61/607105261.db2.gz GPMYCAMFHNPHGE-VIFPVBQESA-N -1 1 399.465 1.935 20 0 GDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@@H]1CCCN1c1ncnc2sccc21 ZINC000823379737 607105262 /nfs/dbraw/zinc/10/52/62/607105262.db2.gz GPMYCAMFHNPHGE-VIFPVBQESA-N -1 1 399.465 1.935 20 0 GDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000823380482 607105458 /nfs/dbraw/zinc/10/54/58/607105458.db2.gz YUPWAQFPUGDVFO-MRVPVSSYSA-N -1 1 389.828 1.968 20 0 GDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000823380482 607105460 /nfs/dbraw/zinc/10/54/60/607105460.db2.gz YUPWAQFPUGDVFO-MRVPVSSYSA-N -1 1 389.828 1.968 20 0 GDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1ccc(Cl)c(N2CCNC2=O)c1 ZINC000823380194 607105528 /nfs/dbraw/zinc/10/55/28/607105528.db2.gz SBHZNLYHCQFWSI-UHFFFAOYSA-N -1 1 390.816 1.759 20 0 GDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1ccc(Cl)c(N2CCNC2=O)c1 ZINC000823380194 607105530 /nfs/dbraw/zinc/10/55/30/607105530.db2.gz SBHZNLYHCQFWSI-UHFFFAOYSA-N -1 1 390.816 1.759 20 0 GDADMM Cc1cccc(C2N=NC(=S)N2CC(=O)Nc2ncc(-c3nnn[n-]3)s2)c1 ZINC000822284781 607106736 /nfs/dbraw/zinc/10/67/36/607106736.db2.gz ZUWRBDGMIIMPLR-UHFFFAOYSA-N -1 1 399.465 1.818 20 0 GDADMM Cc1cccc(C2N=NC(=S)N2CC(=O)Nc2ncc(-c3nn[n-]n3)s2)c1 ZINC000822284781 607106737 /nfs/dbraw/zinc/10/67/37/607106737.db2.gz ZUWRBDGMIIMPLR-UHFFFAOYSA-N -1 1 399.465 1.818 20 0 GDADMM CCOc1ccccc1N1C[C@H](C(=O)Nc2ncc(-c3nnn[n-]3)s2)CC1=O ZINC000821437348 607108082 /nfs/dbraw/zinc/10/80/82/607108082.db2.gz NHRKVXFVELCESE-SNVBAGLBSA-N -1 1 399.436 1.714 20 0 GDADMM CCOc1ccccc1N1C[C@H](C(=O)Nc2ncc(-c3nn[n-]n3)s2)CC1=O ZINC000821437348 607108084 /nfs/dbraw/zinc/10/80/84/607108084.db2.gz NHRKVXFVELCESE-SNVBAGLBSA-N -1 1 399.436 1.714 20 0 GDADMM Cc1nn(-c2ccccc2)c(COC(=O)C[C@H]2COC(=O)C2)c1-c1nn[n-]n1 ZINC000822486621 607116534 /nfs/dbraw/zinc/11/65/34/607116534.db2.gz QMDVIRVPQJYLJE-LBPRGKRZSA-N -1 1 382.380 1.357 20 0 GDADMM CCN(CC)C(=O)C1(NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)CCCCC1 ZINC000821169797 607137664 /nfs/dbraw/zinc/13/76/64/607137664.db2.gz DSHSUXUXMKQFJM-UHFFFAOYSA-N -1 1 389.464 1.293 20 0 GDADMM CCN(CC)C(=O)C1(NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)CCCCC1 ZINC000821169797 607137665 /nfs/dbraw/zinc/13/76/65/607137665.db2.gz DSHSUXUXMKQFJM-UHFFFAOYSA-N -1 1 389.464 1.293 20 0 GDADMM O=C(Nc1ccccc1Oc1ncccc1-c1nn[n-]n1)C(=O)NC1CC=CC1 ZINC000823373387 607142857 /nfs/dbraw/zinc/14/28/57/607142857.db2.gz XPSFYYYFAIAUCT-UHFFFAOYSA-N -1 1 391.391 1.827 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCOC2(CCOCC2)C1 ZINC000823600991 607146544 /nfs/dbraw/zinc/14/65/44/607146544.db2.gz NSCBIJXZHSPHJQ-UHFFFAOYSA-N -1 1 399.860 1.090 20 0 GDADMM Cc1cc(CN2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)nn1C ZINC000822199945 607147161 /nfs/dbraw/zinc/14/71/61/607147161.db2.gz OHZRCVVKLADRJS-UHFFFAOYSA-N -1 1 395.427 1.479 20 0 GDADMM Cc1cccc([C@@H](O)CNC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)c1 ZINC000822289202 607163134 /nfs/dbraw/zinc/16/31/34/607163134.db2.gz UQZQSHGCSQOGGN-INIZCTEOSA-N -1 1 396.451 1.675 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000823131966 607211133 /nfs/dbraw/zinc/21/11/33/607211133.db2.gz SNZSCQXHCQIPQQ-UHFFFAOYSA-N -1 1 395.427 1.159 20 0 GDADMM CCOCCOc1c(Cl)cccc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821384171 607211329 /nfs/dbraw/zinc/21/13/29/607211329.db2.gz RVQZVWNGNCXRID-UHFFFAOYSA-N -1 1 392.807 1.166 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000823127183 607213900 /nfs/dbraw/zinc/21/39/00/607213900.db2.gz WAPQWPNHQWXSQN-LBPRGKRZSA-N -1 1 392.345 1.841 20 0 GDADMM O=C(C[C@@H]1C=CCC1)Nc1ccccc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822941300 607215240 /nfs/dbraw/zinc/21/52/40/607215240.db2.gz UAXBSLBCNMKMJH-GFCCVEGCSA-N -1 1 393.411 1.392 20 0 GDADMM Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822379990 607218334 /nfs/dbraw/zinc/21/83/34/607218334.db2.gz YHRDIXBFKBORKU-AWEZNQCLSA-N -1 1 394.464 1.928 20 0 GDADMM Cc1ccc(C)c([C@H]2CN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)[C@H](C)CO2)c1 ZINC000822232115 607219692 /nfs/dbraw/zinc/21/96/92/607219692.db2.gz UJQYOTWTJQDMSK-UKRRQHHQSA-N -1 1 382.428 1.064 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000823126959 607222535 /nfs/dbraw/zinc/22/25/35/607222535.db2.gz OUHCVYIJGIXRGE-IBGZPJMESA-N -1 1 378.440 1.355 20 0 GDADMM C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(OCC2CC2)c(F)c1 ZINC000820333385 607223637 /nfs/dbraw/zinc/22/36/37/607223637.db2.gz AJZZTIAZFWISHZ-SNVBAGLBSA-N -1 1 386.391 1.264 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000823125744 607224486 /nfs/dbraw/zinc/22/44/86/607224486.db2.gz CQTICJYJVUOJQV-UHFFFAOYSA-N -1 1 379.211 1.350 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cccc(COC3CCOCC3)c2)n1 ZINC000822620476 607239495 /nfs/dbraw/zinc/23/94/95/607239495.db2.gz SGBGXFMRYUFMPW-UHFFFAOYSA-N -1 1 383.412 1.548 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cccc(COC3CCOCC3)c2)n1 ZINC000822620476 607239496 /nfs/dbraw/zinc/23/94/96/607239496.db2.gz SGBGXFMRYUFMPW-UHFFFAOYSA-N -1 1 383.412 1.548 20 0 GDADMM c1ccc(-c2noc(CN3CCN(c4cccc(-c5nn[n-]n5)n4)CC3)n2)cc1 ZINC000826519748 607897141 /nfs/dbraw/zinc/89/71/41/607897141.db2.gz MIHSIJQYHKJJSN-UHFFFAOYSA-N -1 1 389.423 1.634 20 0 GDADMM COc1ccccc1CC(=O)N1CCC(Nc2cccc(-c3nnn[n-]3)n2)CC1 ZINC000826219536 607898251 /nfs/dbraw/zinc/89/82/51/607898251.db2.gz GOGHPBQQLUREID-UHFFFAOYSA-N -1 1 393.451 1.916 20 0 GDADMM COc1ccccc1CC(=O)N1CCC(Nc2cccc(-c3nn[n-]n3)n2)CC1 ZINC000826219536 607898252 /nfs/dbraw/zinc/89/82/52/607898252.db2.gz GOGHPBQQLUREID-UHFFFAOYSA-N -1 1 393.451 1.916 20 0 GDADMM COc1cc(OC)cc(N2CC[C@H](N(C)c3cccc(-c4nnn[n-]4)n3)C2=O)c1 ZINC000826181433 607901255 /nfs/dbraw/zinc/90/12/55/607901255.db2.gz ZGFWCGTVQLOMCK-INIZCTEOSA-N -1 1 395.423 1.521 20 0 GDADMM COc1cc(OC)cc(N2CC[C@H](N(C)c3cccc(-c4nn[n-]n4)n3)C2=O)c1 ZINC000826181433 607901256 /nfs/dbraw/zinc/90/12/56/607901256.db2.gz ZGFWCGTVQLOMCK-INIZCTEOSA-N -1 1 395.423 1.521 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@H]1CCCC(C)(C)C1 ZINC000825000735 607906208 /nfs/dbraw/zinc/90/62/08/607906208.db2.gz UEQSJUMPACMPPL-KGLIPLIRSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@H]1CCCC(C)(C)C1 ZINC000825000735 607906209 /nfs/dbraw/zinc/90/62/09/607906209.db2.gz UEQSJUMPACMPPL-KGLIPLIRSA-N -1 1 384.488 1.910 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC[C@@H](c2nccn2C)C1 ZINC000826341162 607913681 /nfs/dbraw/zinc/91/36/81/607913681.db2.gz YOMMPNYDXBUHHI-CYBMUJFWSA-N -1 1 392.423 1.922 20 0 GDADMM Cc1cc(NCCCc2[nH]nc(N)c2-c2nnn[n-]2)ncc1Br ZINC000826271431 607965165 /nfs/dbraw/zinc/96/51/65/607965165.db2.gz QYOWCQZHLRWMCG-UHFFFAOYSA-N -1 1 378.238 1.683 20 0 GDADMM Cc1cc(NCCCc2[nH]nc(N)c2-c2nn[n-]n2)ncc1Br ZINC000826271431 607965166 /nfs/dbraw/zinc/96/51/66/607965166.db2.gz QYOWCQZHLRWMCG-UHFFFAOYSA-N -1 1 378.238 1.683 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)[C@H]2COc3ccc(Br)cc32)n1 ZINC000826356842 608005794 /nfs/dbraw/zinc/00/57/94/608005794.db2.gz IDTCTLZOFVRYQZ-JTQLQIEISA-N -1 1 390.201 1.477 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)[C@H]2COc3ccc(Br)cc32)n1 ZINC000826356842 608005795 /nfs/dbraw/zinc/00/57/95/608005795.db2.gz IDTCTLZOFVRYQZ-JTQLQIEISA-N -1 1 390.201 1.477 20 0 GDADMM CCC[C@@H]1CN(C(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)CCO1 ZINC000825253841 608009867 /nfs/dbraw/zinc/00/98/67/608009867.db2.gz OHKAUAAZBCHYDI-CQSZACIVSA-N -1 1 398.471 1.486 20 0 GDADMM CCC[C@@H]1CN(C(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)CCO1 ZINC000825253841 608009868 /nfs/dbraw/zinc/00/98/68/608009868.db2.gz OHKAUAAZBCHYDI-CQSZACIVSA-N -1 1 398.471 1.486 20 0 GDADMM O=C(NC1(c2ccc(F)cc2F)CCOCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826427593 608031526 /nfs/dbraw/zinc/03/15/26/608031526.db2.gz VBCKZEWAUDSHCV-UHFFFAOYSA-N -1 1 386.362 1.976 20 0 GDADMM O=C(NC1(c2ccc(F)cc2F)CCOCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826427593 608031527 /nfs/dbraw/zinc/03/15/27/608031527.db2.gz VBCKZEWAUDSHCV-UHFFFAOYSA-N -1 1 386.362 1.976 20 0 GDADMM O=C(C1SCCS1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000826398974 608046691 /nfs/dbraw/zinc/04/66/91/608046691.db2.gz JMWRTYZWZVVQBA-UHFFFAOYSA-N -1 1 393.498 1.187 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)O[C@H]1CC(=O)N(C2CC2)C1 ZINC000826340597 608076400 /nfs/dbraw/zinc/07/64/00/608076400.db2.gz DMYOVWGGJVFKGW-LBPRGKRZSA-N -1 1 382.380 1.479 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)O[C@H]1CC(=O)N(C2CC2)C1 ZINC000826340597 608076401 /nfs/dbraw/zinc/07/64/01/608076401.db2.gz DMYOVWGGJVFKGW-LBPRGKRZSA-N -1 1 382.380 1.479 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@]1(C)CCO[C@H]1C1CC1 ZINC000826232601 608140679 /nfs/dbraw/zinc/14/06/79/608140679.db2.gz AARNWENFHHYWQS-LPHOPBHVSA-N -1 1 386.456 1.591 20 0 GDADMM Cc1nn(CC(F)(F)F)c(C)c1CC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000826334550 608158542 /nfs/dbraw/zinc/15/85/42/608158542.db2.gz ZIGDLFZALWOPQB-UHFFFAOYSA-N -1 1 383.338 1.157 20 0 GDADMM Cc1nn(CC(F)(F)F)c(C)c1CC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000826334550 608158543 /nfs/dbraw/zinc/15/85/43/608158543.db2.gz ZIGDLFZALWOPQB-UHFFFAOYSA-N -1 1 383.338 1.157 20 0 GDADMM COc1cccc(C(=O)NCCNc2snc(Cl)c2-c2nnn[n-]2)c1 ZINC000826214588 608173950 /nfs/dbraw/zinc/17/39/50/608173950.db2.gz QMHDGERADWBTPF-UHFFFAOYSA-N -1 1 379.833 1.827 20 0 GDADMM COc1cccc(C(=O)NCCNc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000826214588 608173952 /nfs/dbraw/zinc/17/39/52/608173952.db2.gz QMHDGERADWBTPF-UHFFFAOYSA-N -1 1 379.833 1.827 20 0 GDADMM O=C(c1ccc(O)cc1)N1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000826473396 608175127 /nfs/dbraw/zinc/17/51/27/608175127.db2.gz WUNOWMZAAMHZDB-UHFFFAOYSA-N -1 1 391.844 1.645 20 0 GDADMM O=C(c1ccc(O)cc1)N1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000826473396 608175129 /nfs/dbraw/zinc/17/51/29/608175129.db2.gz WUNOWMZAAMHZDB-UHFFFAOYSA-N -1 1 391.844 1.645 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CC[C@H](C2CC2)C1 ZINC000826327406 608180607 /nfs/dbraw/zinc/18/06/07/608180607.db2.gz GMLHGLGQDAVVPP-AWEZNQCLSA-N -1 1 380.456 1.717 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CC[C@H](C2CC2)C1 ZINC000826327406 608180609 /nfs/dbraw/zinc/18/06/09/608180609.db2.gz GMLHGLGQDAVVPP-AWEZNQCLSA-N -1 1 380.456 1.717 20 0 GDADMM O=C(CN(C[C@H]1CCCO1)C(=O)c1ccc(-c2nnn[n-]2)s1)N1CCCC1 ZINC000826409773 608202757 /nfs/dbraw/zinc/20/27/57/608202757.db2.gz OJOCMSUVHGKSIR-GFCCVEGCSA-N -1 1 390.469 1.172 20 0 GDADMM O=C(CN(C[C@H]1CCCO1)C(=O)c1ccc(-c2nn[n-]n2)s1)N1CCCC1 ZINC000826409773 608202760 /nfs/dbraw/zinc/20/27/60/608202760.db2.gz OJOCMSUVHGKSIR-GFCCVEGCSA-N -1 1 390.469 1.172 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccccc1OCC1CC1 ZINC000825935138 608211404 /nfs/dbraw/zinc/21/14/04/608211404.db2.gz VPXDGTFGRDORFI-UHFFFAOYSA-N -1 1 396.455 1.666 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccccc1OCC1CC1 ZINC000825935138 608211406 /nfs/dbraw/zinc/21/14/06/608211406.db2.gz VPXDGTFGRDORFI-UHFFFAOYSA-N -1 1 396.455 1.666 20 0 GDADMM Cc1cc2c(cc1C)O[C@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)C2 ZINC000826273261 608212104 /nfs/dbraw/zinc/21/21/04/608212104.db2.gz WEYIURYXBQKCFI-HNNXBMFYSA-N -1 1 396.455 1.184 20 0 GDADMM Cc1cc2c(cc1C)O[C@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)C2 ZINC000826273261 608212107 /nfs/dbraw/zinc/21/21/07/608212107.db2.gz WEYIURYXBQKCFI-HNNXBMFYSA-N -1 1 396.455 1.184 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@H]1[C@@H]1CCCC1=O ZINC000826232670 608214719 /nfs/dbraw/zinc/21/47/19/608214719.db2.gz CMBLTIUKTYVJJP-GJZGRUSLSA-N -1 1 398.467 1.877 20 0 GDADMM Cc1nc(C)c(-c2nn[n-]n2)c(SCC(=O)N2CCOC[C@@H]2C2CC2)n1 ZINC000826324216 608231122 /nfs/dbraw/zinc/23/11/22/608231122.db2.gz IXEBRSYJRJWHFD-GFCCVEGCSA-N -1 1 375.458 1.003 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000826496346 608305986 /nfs/dbraw/zinc/30/59/86/608305986.db2.gz SUMJIPCTLCXWGD-STQMWFEESA-N -1 1 395.460 1.833 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000826496346 608305988 /nfs/dbraw/zinc/30/59/88/608305988.db2.gz SUMJIPCTLCXWGD-STQMWFEESA-N -1 1 395.460 1.833 20 0 GDADMM Cn1cc(C(=O)Nc2cc(C(C)(C)C)sc2-c2nnn[n-]2)c(=O)[nH]c1=O ZINC000826358650 608348851 /nfs/dbraw/zinc/34/88/51/608348851.db2.gz BXWPICDPIBWLHT-UHFFFAOYSA-N -1 1 375.414 1.277 20 0 GDADMM Cn1cc(C(=O)Nc2cc(C(C)(C)C)sc2-c2nn[n-]n2)c(=O)[nH]c1=O ZINC000826358650 608348853 /nfs/dbraw/zinc/34/88/53/608348853.db2.gz BXWPICDPIBWLHT-UHFFFAOYSA-N -1 1 375.414 1.277 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N[C@@H]2C[C@@H]2c2ccccc2)n1 ZINC000824142896 608351279 /nfs/dbraw/zinc/35/12/79/608351279.db2.gz ZKISMPQBWPWOFE-TZMCWYRMSA-N -1 1 394.439 1.429 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N[C@@H]2C[C@@H]2c2ccccc2)n1 ZINC000824142896 608351280 /nfs/dbraw/zinc/35/12/80/608351280.db2.gz ZKISMPQBWPWOFE-TZMCWYRMSA-N -1 1 394.439 1.429 20 0 GDADMM C[C@H]1SCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)[C@@H]1C ZINC000825020789 608353207 /nfs/dbraw/zinc/35/32/07/608353207.db2.gz LUMVYBNHRUSSEW-NXEZZACHSA-N -1 1 392.489 1.109 20 0 GDADMM C[C@H]1SCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)[C@@H]1C ZINC000825020789 608353208 /nfs/dbraw/zinc/35/32/08/608353208.db2.gz LUMVYBNHRUSSEW-NXEZZACHSA-N -1 1 392.489 1.109 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N2CCC[C@H]3CCC[C@@H]32)n1 ZINC000824141733 608354086 /nfs/dbraw/zinc/35/40/86/608354086.db2.gz MQSDDYFLCNRBDJ-YPMHNXCESA-N -1 1 386.460 1.548 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N2CCC[C@H]3CCC[C@@H]32)n1 ZINC000824141733 608354088 /nfs/dbraw/zinc/35/40/88/608354088.db2.gz MQSDDYFLCNRBDJ-YPMHNXCESA-N -1 1 386.460 1.548 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N[C@@H]2CC23CCCCC3)n1 ZINC000824141517 608357166 /nfs/dbraw/zinc/35/71/66/608357166.db2.gz JIHAQJIQKVFAEW-GFCCVEGCSA-N -1 1 386.460 1.596 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N[C@@H]2CC23CCCCC3)n1 ZINC000824141517 608357168 /nfs/dbraw/zinc/35/71/68/608357168.db2.gz JIHAQJIQKVFAEW-GFCCVEGCSA-N -1 1 386.460 1.596 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NC[C@@]2(C)CCCS2)n1 ZINC000824822972 608357870 /nfs/dbraw/zinc/35/78/70/608357870.db2.gz HQGHCVYESRFNKM-MRXNPFEDSA-N -1 1 392.489 1.159 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NC[C@@]2(C)CCCS2)n1 ZINC000824822972 608357872 /nfs/dbraw/zinc/35/78/72/608357872.db2.gz HQGHCVYESRFNKM-MRXNPFEDSA-N -1 1 392.489 1.159 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)Nc2cnn(CC3CC3)c2)n1 ZINC000824148367 608357907 /nfs/dbraw/zinc/35/79/07/608357907.db2.gz RWYIGYRBTDFQDD-UHFFFAOYSA-N -1 1 398.431 1.002 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)Nc2cnn(CC3CC3)c2)n1 ZINC000824148367 608357909 /nfs/dbraw/zinc/35/79/09/608357909.db2.gz RWYIGYRBTDFQDD-UHFFFAOYSA-N -1 1 398.431 1.002 20 0 GDADMM CCCCCSCC(=O)N1CCN(c2oc(C)nc2-c2nn[n-]n2)CC1 ZINC000825275890 608402590 /nfs/dbraw/zinc/40/25/90/608402590.db2.gz GLCKTLNGUYQWIB-UHFFFAOYSA-N -1 1 379.490 1.735 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1cccc2cccnc21 ZINC000825929850 608408066 /nfs/dbraw/zinc/40/80/66/608408066.db2.gz MLEGVKGYUQBITL-UHFFFAOYSA-N -1 1 392.427 1.817 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1cccc2cccnc21 ZINC000825929850 608408068 /nfs/dbraw/zinc/40/80/68/608408068.db2.gz MLEGVKGYUQBITL-UHFFFAOYSA-N -1 1 392.427 1.817 20 0 GDADMM Brc1cccc([C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CCO2)c1 ZINC000823832630 608408244 /nfs/dbraw/zinc/40/82/44/608408244.db2.gz ROVJAWLHMBIYAW-ZDUSSCGKSA-N -1 1 388.229 1.997 20 0 GDADMM Brc1cccc([C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CCO2)c1 ZINC000823832630 608408245 /nfs/dbraw/zinc/40/82/45/608408245.db2.gz ROVJAWLHMBIYAW-ZDUSSCGKSA-N -1 1 388.229 1.997 20 0 GDADMM Brc1ccccc1[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC000823832072 608409322 /nfs/dbraw/zinc/40/93/22/608409322.db2.gz JPZZQGJLIOMVSS-CYBMUJFWSA-N -1 1 388.229 1.997 20 0 GDADMM Brc1ccccc1[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC000823832072 608409323 /nfs/dbraw/zinc/40/93/23/608409323.db2.gz JPZZQGJLIOMVSS-CYBMUJFWSA-N -1 1 388.229 1.997 20 0 GDADMM O=C1COc2cccc(OS(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)c2N1 ZINC000826482015 608425682 /nfs/dbraw/zinc/42/56/82/608425682.db2.gz PGIXOTIUWGVLJR-UHFFFAOYSA-N -1 1 391.340 1.104 20 0 GDADMM O=C1COc2cccc(OS(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)c2N1 ZINC000826482015 608425683 /nfs/dbraw/zinc/42/56/83/608425683.db2.gz PGIXOTIUWGVLJR-UHFFFAOYSA-N -1 1 391.340 1.104 20 0 GDADMM O=S(=O)(Cc1ccccc1)N1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000826486706 608502942 /nfs/dbraw/zinc/50/29/42/608502942.db2.gz NJUJDFXRJQGBDD-UHFFFAOYSA-N -1 1 388.453 1.107 20 0 GDADMM O=S(=O)(Cc1ccccc1)N1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000826486706 608502944 /nfs/dbraw/zinc/50/29/44/608502944.db2.gz NJUJDFXRJQGBDD-UHFFFAOYSA-N -1 1 388.453 1.107 20 0 GDADMM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826316777 608555539 /nfs/dbraw/zinc/55/55/39/608555539.db2.gz YLFLEOTYCOABGF-MNOVXSKESA-N -1 1 386.485 1.737 20 0 GDADMM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826316777 608555541 /nfs/dbraw/zinc/55/55/41/608555541.db2.gz YLFLEOTYCOABGF-MNOVXSKESA-N -1 1 386.485 1.737 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C=Cc1ccnc(Cl)c1 ZINC000825923564 608556934 /nfs/dbraw/zinc/55/69/34/608556934.db2.gz MFWDTQCXBHPOJG-SNAWJCMRSA-N -1 1 387.835 1.325 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C=Cc1ccnc(Cl)c1 ZINC000825923564 608556936 /nfs/dbraw/zinc/55/69/36/608556936.db2.gz MFWDTQCXBHPOJG-SNAWJCMRSA-N -1 1 387.835 1.325 20 0 GDADMM Cc1ccc2cccc(C(=O)N(C)CCCc3[nH]nc(N)c3-c3nnn[n-]3)c2n1 ZINC000826295231 608557536 /nfs/dbraw/zinc/55/75/36/608557536.db2.gz XSIZBKUTHKHJBE-UHFFFAOYSA-N -1 1 391.439 1.733 20 0 GDADMM Cc1ccc2cccc(C(=O)N(C)CCCc3[nH]nc(N)c3-c3nn[n-]n3)c2n1 ZINC000826295231 608557538 /nfs/dbraw/zinc/55/75/38/608557538.db2.gz XSIZBKUTHKHJBE-UHFFFAOYSA-N -1 1 391.439 1.733 20 0 GDADMM C[C@H](OC1CCCCCC1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824728716 608557651 /nfs/dbraw/zinc/55/76/51/608557651.db2.gz GVTBZFPQCMOYAO-LBPRGKRZSA-N -1 1 390.492 1.691 20 0 GDADMM C[C@H](OC1CCCCCC1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824728716 608557652 /nfs/dbraw/zinc/55/76/52/608557652.db2.gz GVTBZFPQCMOYAO-LBPRGKRZSA-N -1 1 390.492 1.691 20 0 GDADMM COc1cccc([C@H](C)CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000826214233 608558356 /nfs/dbraw/zinc/55/83/56/608558356.db2.gz FOIVDQWPKZFWMP-GFCCVEGCSA-N -1 1 398.471 1.765 20 0 GDADMM COc1cccc([C@H](C)CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000826214233 608558358 /nfs/dbraw/zinc/55/83/58/608558358.db2.gz FOIVDQWPKZFWMP-GFCCVEGCSA-N -1 1 398.471 1.765 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1c[nH]c2cccc(F)c12 ZINC000825929836 608560120 /nfs/dbraw/zinc/56/01/20/608560120.db2.gz LKIPQQRJWPDGPS-UHFFFAOYSA-N -1 1 383.391 1.497 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1c[nH]c2cccc(F)c12 ZINC000825929836 608560121 /nfs/dbraw/zinc/56/01/21/608560121.db2.gz LKIPQQRJWPDGPS-UHFFFAOYSA-N -1 1 383.391 1.497 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000826424926 608589065 /nfs/dbraw/zinc/58/90/65/608589065.db2.gz ISYLAFGQUHTMJF-JTQLQIEISA-N -1 1 384.297 1.407 20 0 GDADMM COCCOCCOC(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1 ZINC000826161094 608615257 /nfs/dbraw/zinc/61/52/57/608615257.db2.gz TXAJXEQBLMIMBR-UHFFFAOYSA-N -1 1 379.442 1.681 20 0 GDADMM COCCOCCOC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000826161094 608615261 /nfs/dbraw/zinc/61/52/61/608615261.db2.gz TXAJXEQBLMIMBR-UHFFFAOYSA-N -1 1 379.442 1.681 20 0 GDADMM COc1cc(OC)cc(N2CC[C@@H](N(C)Cc3ccc(-c4nnn[n-]4)o3)C2=O)c1 ZINC000826181408 608745715 /nfs/dbraw/zinc/74/57/15/608745715.db2.gz YETWDYZPGWUVHQ-MRXNPFEDSA-N -1 1 398.423 1.714 20 0 GDADMM COc1cc(OC)cc(N2CC[C@@H](N(C)Cc3ccc(-c4nn[n-]n4)o3)C2=O)c1 ZINC000826181408 608745716 /nfs/dbraw/zinc/74/57/16/608745716.db2.gz YETWDYZPGWUVHQ-MRXNPFEDSA-N -1 1 398.423 1.714 20 0 GDADMM CC(=O)Nc1cccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000824005495 609152877 /nfs/dbraw/zinc/15/28/77/609152877.db2.gz VFBIQSSLHOCSQD-UHFFFAOYSA-N -1 1 398.431 1.227 20 0 GDADMM CC(=O)Nc1cccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000824005495 609152879 /nfs/dbraw/zinc/15/28/79/609152879.db2.gz VFBIQSSLHOCSQD-UHFFFAOYSA-N -1 1 398.431 1.227 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1cnn(C(C)(C)C)c1 ZINC000825930790 609158132 /nfs/dbraw/zinc/15/81/32/609158132.db2.gz ZNTCHTXOFJAIKT-UHFFFAOYSA-N -1 1 387.452 1.220 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1cnn(C(C)(C)C)c1 ZINC000825930790 609158133 /nfs/dbraw/zinc/15/81/33/609158133.db2.gz ZNTCHTXOFJAIKT-UHFFFAOYSA-N -1 1 387.452 1.220 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1c(F)cc(F)cc1F ZINC000825929543 609158236 /nfs/dbraw/zinc/15/82/36/609158236.db2.gz HRHPSZSCLMARMG-UHFFFAOYSA-N -1 1 395.349 1.686 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1c(F)cc(F)cc1F ZINC000825929543 609158237 /nfs/dbraw/zinc/15/82/37/609158237.db2.gz HRHPSZSCLMARMG-UHFFFAOYSA-N -1 1 395.349 1.686 20 0 GDADMM CC[C@@H](C)Oc1cc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)ccn1 ZINC000825076669 609260905 /nfs/dbraw/zinc/26/09/05/609260905.db2.gz XJZBFZHUDFIAFS-LLVKDONJSA-N -1 1 399.459 1.449 20 0 GDADMM CC[C@@H](C)Oc1cc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)ccn1 ZINC000825076669 609260907 /nfs/dbraw/zinc/26/09/07/609260907.db2.gz XJZBFZHUDFIAFS-LLVKDONJSA-N -1 1 399.459 1.449 20 0 GDADMM COc1cccc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)n1 ZINC000826214400 609288909 /nfs/dbraw/zinc/28/89/09/609288909.db2.gz KXNASRXZTDFITQ-UHFFFAOYSA-N -1 1 380.343 1.847 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)[C@H]1CSCCS1 ZINC000826458350 609289878 /nfs/dbraw/zinc/28/98/78/609289878.db2.gz MOARWXZWBHYMHG-LLVKDONJSA-N -1 1 391.457 1.979 20 0 GDADMM COc1ccc([C@H](C)NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000826188251 609300693 /nfs/dbraw/zinc/30/06/93/609300693.db2.gz RGGLHKURAROAOL-NSHDSACASA-N -1 1 399.459 1.516 20 0 GDADMM COc1ccc([C@H](C)NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000826188251 609300696 /nfs/dbraw/zinc/30/06/96/609300696.db2.gz RGGLHKURAROAOL-NSHDSACASA-N -1 1 399.459 1.516 20 0 GDADMM C[C@@H](O)C[C@H](C)CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824686288 609358162 /nfs/dbraw/zinc/35/81/62/609358162.db2.gz BDQMBICZSYYCCJ-WDEREUQCSA-N -1 1 388.407 1.720 20 0 GDADMM C[C@H]1C[C@@H](NC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CCO1 ZINC000824892594 609362247 /nfs/dbraw/zinc/36/22/47/609362247.db2.gz KNOJYAONBGSTAE-QWRGUYRKSA-N -1 1 386.391 1.881 20 0 GDADMM O=C(NCCc1ccncc1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826439720 609364165 /nfs/dbraw/zinc/36/41/65/609364165.db2.gz HKDVFRHTLPDJRM-UHFFFAOYSA-N -1 1 393.386 1.951 20 0 GDADMM CC(C)(C)OCC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000824120084 609372732 /nfs/dbraw/zinc/37/27/32/609372732.db2.gz XTCWPMMGDHPWDW-UHFFFAOYSA-N -1 1 375.433 1.196 20 0 GDADMM Cc1oc(NC(=O)COC(=O)c2ccc(F)c(C)c2N)c(-c2nn[n-]n2)c1C ZINC000826342410 609404431 /nfs/dbraw/zinc/40/44/31/609404431.db2.gz JADUJBVINVFPPA-UHFFFAOYSA-N -1 1 388.359 1.902 20 0 GDADMM CC(C)[C@@H]1C[C@@H](CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CCO1 ZINC000824216364 609415362 /nfs/dbraw/zinc/41/53/62/609415362.db2.gz QFVGQRJXQVNJJN-JSGCOSHPSA-N -1 1 390.492 1.404 20 0 GDADMM CC(C)[C@@H]1C[C@@H](CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CCO1 ZINC000824216364 609415364 /nfs/dbraw/zinc/41/53/64/609415364.db2.gz QFVGQRJXQVNJJN-JSGCOSHPSA-N -1 1 390.492 1.404 20 0 GDADMM Cc1ccc([N-]S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)cc1-n1cnnn1 ZINC000826291496 609449016 /nfs/dbraw/zinc/44/90/16/609449016.db2.gz JBNYCUKWJOVWCR-UHFFFAOYSA-N -1 1 397.424 1.260 20 0 GDADMM Cc1onc(CC(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)c1-c1nnn[n-]1 ZINC000826346605 609470956 /nfs/dbraw/zinc/47/09/56/609470956.db2.gz QDAUPBCEPYQECS-LBPRGKRZSA-N -1 1 387.831 1.754 20 0 GDADMM Cc1onc(CC(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)c1-c1nn[n-]n1 ZINC000826346605 609470957 /nfs/dbraw/zinc/47/09/57/609470957.db2.gz QDAUPBCEPYQECS-LBPRGKRZSA-N -1 1 387.831 1.754 20 0 GDADMM C[C@@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)c1ccccc1 ZINC000825000569 609505978 /nfs/dbraw/zinc/50/59/78/609505978.db2.gz SMQGVVBLXKGTKC-UONOGXRCSA-N -1 1 378.440 1.498 20 0 GDADMM C[C@@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)c1ccccc1 ZINC000825000569 609505979 /nfs/dbraw/zinc/50/59/79/609505979.db2.gz SMQGVVBLXKGTKC-UONOGXRCSA-N -1 1 378.440 1.498 20 0 GDADMM Cc1nn(-c2ccccc2)c(COC(=O)[C@@H]2[C@@H]3CCCO[C@H]23)c1-c1nn[n-]n1 ZINC000826332736 609623238 /nfs/dbraw/zinc/62/32/38/609623238.db2.gz FQYXJLHWSYYCDC-XKQJLSEDSA-N -1 1 380.408 1.829 20 0 GDADMM Cc1nc(S(=O)(=O)[N-]CCNc2nccc(C(F)(F)F)n2)sc1C ZINC000532495912 650025546 /nfs/dbraw/zinc/02/55/46/650025546.db2.gz SDTUUAHQNAAYAX-UHFFFAOYSA-N -1 1 381.405 1.959 20 0 GDADMM Cc1ncc(Cl)c(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])n1 ZINC000536428346 650271118 /nfs/dbraw/zinc/27/11/18/650271118.db2.gz LSGBXOSNYKGCAY-UHFFFAOYSA-N -1 1 382.829 1.837 20 0 GDADMM CCOC(=O)c1cn(CCNC(=O)c2cc(Br)ccc2[O-])cn1 ZINC000538832543 650323793 /nfs/dbraw/zinc/32/37/93/650323793.db2.gz UTJSCTBFVFFZFG-UHFFFAOYSA-N -1 1 382.214 1.958 20 0 GDADMM NC(=O)CC(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-] ZINC000538878030 650324683 /nfs/dbraw/zinc/32/46/83/650324683.db2.gz CDGZVSRHCUSHKB-UHFFFAOYSA-N -1 1 383.813 1.660 20 0 GDADMM C[C@H](O)CC(C)(C)CNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000539364330 650333104 /nfs/dbraw/zinc/33/31/04/650333104.db2.gz AHFALWPKTQGMMV-JTQLQIEISA-N -1 1 382.479 1.273 20 0 GDADMM CCO[C@@H](C)c1nc(CC(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])cs1 ZINC000539706687 650339113 /nfs/dbraw/zinc/33/91/13/650339113.db2.gz JEYDPBMYINABCE-VIFPVBQESA-N -1 1 385.467 1.775 20 0 GDADMM COc1ccc(Br)cc1CN(C)C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000544783014 650445467 /nfs/dbraw/zinc/44/54/67/650445467.db2.gz MFLHQCVHFZUBLQ-UHFFFAOYSA-N -1 1 392.213 1.461 20 0 GDADMM C[S@](=O)Cc1ccccc1[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000547240107 650493035 /nfs/dbraw/zinc/49/30/35/650493035.db2.gz BTNWDKUUDIFNEF-QFIPXVFZSA-N -1 1 387.504 1.769 20 0 GDADMM CN1C(=O)C[C@H]([N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1=O ZINC000553874729 650662201 /nfs/dbraw/zinc/66/22/01/650662201.db2.gz IUCJACATDYIAIA-QMMMGPOBSA-N -1 1 399.625 1.277 20 0 GDADMM Cc1nnc([C@@H](C)NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)s1 ZINC000554973120 650684140 /nfs/dbraw/zinc/68/41/40/650684140.db2.gz CPOXBEXDYNFFBJ-SSDOTTSWSA-N -1 1 394.475 1.397 20 0 GDADMM COc1ccc(S(=O)(=O)[N-]c2ccc(CS(N)(=O)=O)cc2)c(C)c1F ZINC000565618208 650805852 /nfs/dbraw/zinc/80/58/52/650805852.db2.gz AHTUOXWLFAUNMR-UHFFFAOYSA-N -1 1 388.442 1.732 20 0 GDADMM C[C@@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1)c1csnn1 ZINC000565823932 650816499 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/nfs/dbraw/zinc/05/31/23/660053123.db2.gz KXLNOUZCVDSUJM-GOSISDBHSA-N -1 1 382.223 1.454 20 0 GDADMM O=C(CCc1ccc(Br)cc1F)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913494661 660082747 /nfs/dbraw/zinc/08/27/47/660082747.db2.gz IFNCMUVIJXPXCE-LBPRGKRZSA-N -1 1 384.209 1.634 20 0 GDADMM C[C@@H](Oc1ccccc1Br)C(=O)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913494545 660082848 /nfs/dbraw/zinc/08/28/48/660082848.db2.gz FBTFFHAFZSSTMR-MWLCHTKSSA-N -1 1 382.218 1.330 20 0 GDADMM O=C([C@H]1CCOc2ccc(Br)cc21)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913500586 660084427 /nfs/dbraw/zinc/08/44/27/660084427.db2.gz ZWMHHIFDVFCQOV-JQWIXIFHSA-N -1 1 394.229 1.428 20 0 GDADMM O=C(c1cc(Br)cn(C2CC2)c1=O)N1CCC(c2nn[n-]n2)CC1 ZINC000913745977 660095077 /nfs/dbraw/zinc/09/50/77/660095077.db2.gz RTPJHCBFMYUKNK-UHFFFAOYSA-N -1 1 393.245 1.479 20 0 GDADMM COc1nn2cc(Br)cnc2c1S(=O)(=O)[N-][C@@H](C)CSC ZINC000914131944 660118848 /nfs/dbraw/zinc/11/88/48/660118848.db2.gz ZECIWZTYVOEWCR-ZETCQYMHSA-N -1 1 395.304 1.530 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H](C)C[S@](C)=O)c1F ZINC000914359030 660142361 /nfs/dbraw/zinc/14/23/61/660142361.db2.gz BAJGMGHSKIGHEE-XJZHNMMOSA-N -1 1 388.280 1.642 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2C[C@H](C)OC2=O)c1F ZINC000915657298 660175964 /nfs/dbraw/zinc/17/59/64/660175964.db2.gz LGYSYJWHPGCYLO-XPUUQOCRSA-N -1 1 382.207 1.579 20 0 GDADMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]CCCn1cncn1 ZINC000394481659 677678179 /nfs/dbraw/zinc/67/81/79/677678179.db2.gz DVWROTNTLDNEFR-UHFFFAOYSA-N -1 1 390.219 1.317 20 0 GDADMM O=C(CCc1ccccc1Br)N1CCC(O)(c2nn[n-]n2)CC1 ZINC000798148604 677679280 /nfs/dbraw/zinc/67/92/80/677679280.db2.gz JZODSBWQKLKYDC-UHFFFAOYSA-N -1 1 380.246 1.405 20 0 GDADMM Cc1nc(CN2CCC[C@@H](N(C)c3ccc(Cl)c(-c4nnn[n-]4)n3)C2)no1 ZINC000737476189 945074998 /nfs/dbraw/zinc/07/49/98/945074998.db2.gz FOVWTWJEVQMASL-LLVKDONJSA-N -1 1 389.851 1.707 20 0 GDADMM Cc1nc(CN2CCC[C@@H](N(C)c3ccc(Cl)c(-c4nn[n-]n4)n3)C2)no1 ZINC000737476189 945075013 /nfs/dbraw/zinc/07/50/13/945075013.db2.gz FOVWTWJEVQMASL-LLVKDONJSA-N -1 1 389.851 1.707 20 0 GDADMM CN1CCN(c2ncccc2CNC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)CC1 ZINC000780475623 939126702 /nfs/dbraw/zinc/12/67/02/939126702.db2.gz FQMGRMYGEUYUTI-QGZVFWFLSA-N -1 1 389.500 1.666 20 0 GDADMM C[C@@H]1CN(Cc2ccc(CNC(=O)N[C@@H](C(=O)[O-])C3CC3)cc2)C[C@@H](C)O1 ZINC000908779223 939320387 /nfs/dbraw/zinc/32/03/87/939320387.db2.gz GVFXZBCBMITPNL-HBUWYVDXSA-N -1 1 375.469 1.958 20 0 GDADMM COc1cccc([C@H](NC(=O)c2cccc(N3CCN(C)CC3)n2)C(=O)[O-])c1 ZINC000909943064 939744173 /nfs/dbraw/zinc/74/41/73/939744173.db2.gz AUVBWJMMUIICDI-SFHVURJKSA-N -1 1 384.436 1.398 20 0 GDADMM COc1cccc([C@H](NC(=O)CCN2CCN(c3ccccn3)CC2)C(=O)[O-])c1 ZINC000909944548 939744984 /nfs/dbraw/zinc/74/49/84/939744984.db2.gz KHMFCLKQQJHJLK-FQEVSTJZSA-N -1 1 398.463 1.544 20 0 GDADMM CC(C)(C)NC(=O)CN1CCC(CNC(=O)[C@H](C(=O)[O-])C2CCCC2)CC1 ZINC000663105217 939855232 /nfs/dbraw/zinc/85/52/32/939855232.db2.gz GNMLHGAMUODYDP-QGZVFWFLSA-N -1 1 381.517 1.620 20 0 GDADMM Cn1nccc1[C@@H]1c2[nH]cnc2CCN1C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001601038345 970919975 /nfs/dbraw/zinc/91/99/75/970919975.db2.gz SBSCVFMEIZNPFJ-GOSISDBHSA-N -1 1 381.392 1.395 20 0 GDADMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cccc(-c4nn[nH]n4)c3)cc2C[C@H]1C ZINC000539803504 944637389 /nfs/dbraw/zinc/63/73/89/944637389.db2.gz QISZWPUMZPGQBE-LLVKDONJSA-N -1 1 398.448 1.965 20 0 GDADMM CCc1ccccc1NC(=O)Cn1nc(CC)c(CC)c(-c2nn[n-]n2)c1=O ZINC000736702465 944873682 /nfs/dbraw/zinc/87/36/82/944873682.db2.gz PPKUVHZUDWSYIA-UHFFFAOYSA-N -1 1 381.440 1.749 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1-c1nn[n-]n1 ZINC000737186116 944978238 /nfs/dbraw/zinc/97/82/38/944978238.db2.gz HFJSQJOMVHTZRD-XROYCOCOSA-N -1 1 376.442 1.233 20 0 GDADMM CC(C)CN(Cc1nn[n-]n1)C(=O)C(C)(C)Oc1ccc(-c2nn[nH]n2)cc1 ZINC001571259348 945384396 /nfs/dbraw/zinc/38/43/96/945384396.db2.gz LQTYOGYGTNVISI-UHFFFAOYSA-N -1 1 385.432 1.222 20 0 GDADMM CN(C(=O)c1conc1C1CC1)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571261577 945428974 /nfs/dbraw/zinc/42/89/74/945428974.db2.gz GTJGRUWQUZYNDH-UHFFFAOYSA-N -1 1 385.453 1.750 20 0 GDADMM C[C@@H]1CN(C(=O)CCc2cncs2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571261640 945429885 /nfs/dbraw/zinc/42/98/85/945429885.db2.gz HOJGCURJJJPTBT-ZWNOBZJWSA-N -1 1 385.457 1.005 20 0 GDADMM C[C@@H]1CN(C(=O)CCc2cncs2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571261640 945429890 /nfs/dbraw/zinc/42/98/90/945429890.db2.gz HOJGCURJJJPTBT-ZWNOBZJWSA-N -1 1 385.457 1.005 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccns2)CC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571261701 945431314 /nfs/dbraw/zinc/43/13/14/945431314.db2.gz IVQDGQNIFLBOIQ-GHMZBOCLSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccns2)CC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571261701 945431316 /nfs/dbraw/zinc/43/13/16/945431316.db2.gz IVQDGQNIFLBOIQ-GHMZBOCLSA-N -1 1 385.457 1.324 20 0 GDADMM O=C(Cc1cncs1)N[C@@H]1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571263205 945453459 /nfs/dbraw/zinc/45/34/59/945453459.db2.gz JYVFJZRNGKHOQQ-GHMZBOCLSA-N -1 1 385.457 1.053 20 0 GDADMM O=C(Cc1cncs1)N[C@@H]1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571263205 945453462 /nfs/dbraw/zinc/45/34/62/945453462.db2.gz JYVFJZRNGKHOQQ-GHMZBOCLSA-N -1 1 385.457 1.053 20 0 GDADMM O=C(Cc1cncs1)N1CC[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571263274 945454219 /nfs/dbraw/zinc/45/42/19/945454219.db2.gz LRRWGPQKALMQCB-NSHDSACASA-N -1 1 385.457 1.006 20 0 GDADMM O=C(Cc1cncs1)N1CC[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571263274 945454223 /nfs/dbraw/zinc/45/42/23/945454223.db2.gz LRRWGPQKALMQCB-NSHDSACASA-N -1 1 385.457 1.006 20 0 GDADMM Cc1nsc(NC[C@@H]2CN(C(=O)c3ccncn3)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571263411 945457842 /nfs/dbraw/zinc/45/78/42/945457842.db2.gz PFEQRZLQYZQJKG-MWLCHTKSSA-N -1 1 385.457 1.242 20 0 GDADMM Cc1nsc(N2CC[C@@H](NC(=O)c3ccncn3)C[C@@H]2C)c1-c1nn[n-]n1 ZINC001571263385 945457961 /nfs/dbraw/zinc/45/79/61/945457961.db2.gz OWTNNBUKTQVIOM-GXSJLCMTSA-N -1 1 385.457 1.209 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)[C@@H](C)C2)ns1 ZINC001571263536 945461178 /nfs/dbraw/zinc/46/11/78/945461178.db2.gz SNOPFFQWRDRNHH-ONGXEEELSA-N -1 1 385.457 1.209 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)[C@@H](C)C2)ns1 ZINC001571263536 945461183 /nfs/dbraw/zinc/46/11/83/945461183.db2.gz SNOPFFQWRDRNHH-ONGXEEELSA-N -1 1 385.457 1.209 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)c3nccs3)[C@@H](C)C2)n1 ZINC001571263612 945464270 /nfs/dbraw/zinc/46/42/70/945464270.db2.gz UXNMCGFAWADJJJ-QWRGUYRKSA-N -1 1 385.457 1.527 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)c3nccs3)[C@@H](C)C2)n1 ZINC001571263612 945464276 /nfs/dbraw/zinc/46/42/76/945464276.db2.gz UXNMCGFAWADJJJ-QWRGUYRKSA-N -1 1 385.457 1.527 20 0 GDADMM CC1CC(NC(=O)N2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)C1 ZINC000820658115 945512020 /nfs/dbraw/zinc/51/20/20/945512020.db2.gz PMXMWSJGIRJGDM-UHFFFAOYSA-N -1 1 398.427 1.745 20 0 GDADMM O=C(c1ccncc1Cl)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571265885 945523080 /nfs/dbraw/zinc/52/30/80/945523080.db2.gz RPPUKDWQPBQQBT-UHFFFAOYSA-N -1 1 385.819 1.058 20 0 GDADMM O=C(c1ccncc1Cl)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571265885 945523090 /nfs/dbraw/zinc/52/30/90/945523090.db2.gz RPPUKDWQPBQQBT-UHFFFAOYSA-N -1 1 385.819 1.058 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cccc(F)c1F ZINC001571266943 945557046 /nfs/dbraw/zinc/55/70/46/945557046.db2.gz CXFYTZOABVOTML-AOOOYVTPSA-N -1 1 386.366 1.555 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cccc(F)c1F ZINC001571266943 945557051 /nfs/dbraw/zinc/55/70/51/945557051.db2.gz CXFYTZOABVOTML-AOOOYVTPSA-N -1 1 386.366 1.555 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](NC(=O)c3cc(F)cc(F)c3)C2)n1 ZINC001571267129 945562747 /nfs/dbraw/zinc/56/27/47/945562747.db2.gz KGAIGTSYMADXTI-CYBMUJFWSA-N -1 1 386.366 1.252 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)c3cc(F)cc(F)c3)C2)n1 ZINC001571267129 945562755 /nfs/dbraw/zinc/56/27/55/945562755.db2.gz KGAIGTSYMADXTI-CYBMUJFWSA-N -1 1 386.366 1.252 20 0 GDADMM CC(C)(F)C(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1c1nccnc1-c1nnn[n-]1 ZINC001571268392 945594272 /nfs/dbraw/zinc/59/42/72/945594272.db2.gz FQUMYKXMMLZYBI-RNJOBUHISA-N -1 1 386.435 1.078 20 0 GDADMM CC(C)(F)C(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1c1nccnc1-c1nn[n-]n1 ZINC001571268392 945594275 /nfs/dbraw/zinc/59/42/75/945594275.db2.gz FQUMYKXMMLZYBI-RNJOBUHISA-N -1 1 386.435 1.078 20 0 GDADMM CN(C(=O)c1cnns1)C1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001571270094 945631710 /nfs/dbraw/zinc/63/17/10/945631710.db2.gz MYIJBBOJZMIYNN-UHFFFAOYSA-N -1 1 386.445 1.004 20 0 GDADMM CN(C(=O)c1cnns1)C1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001571270094 945631713 /nfs/dbraw/zinc/63/17/13/945631713.db2.gz MYIJBBOJZMIYNN-UHFFFAOYSA-N -1 1 386.445 1.004 20 0 GDADMM Cc1nsc(N(C)C[C@@H]2CCCN(C(=O)c3ccc[nH]3)C2)c1-c1nn[n-]n1 ZINC001571272358 945662784 /nfs/dbraw/zinc/66/27/84/945662784.db2.gz SQKWBYNPIGLNEC-LBPRGKRZSA-N -1 1 386.485 1.948 20 0 GDADMM O=C(C[C@H]1CCCO1)N1CCCC[C@@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001571272794 945671009 /nfs/dbraw/zinc/67/10/09/945671009.db2.gz IKTVBEXIJRWBNB-ZIAGYGMSSA-N -1 1 386.460 1.409 20 0 GDADMM O=C(C[C@H]1CCCO1)N1CCCC[C@@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001571272794 945671015 /nfs/dbraw/zinc/67/10/15/945671015.db2.gz IKTVBEXIJRWBNB-ZIAGYGMSSA-N -1 1 386.460 1.409 20 0 GDADMM CO[C@H](C(=O)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1)C1CCCC1 ZINC001571272821 945672056 /nfs/dbraw/zinc/67/20/56/945672056.db2.gz JAUHMVZTFFIGGE-WFASDCNBSA-N -1 1 386.460 1.122 20 0 GDADMM CO[C@H](C(=O)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1)C1CCCC1 ZINC001571272821 945672062 /nfs/dbraw/zinc/67/20/62/945672062.db2.gz JAUHMVZTFFIGGE-WFASDCNBSA-N -1 1 386.460 1.122 20 0 GDADMM CO[C@@H](C(=O)N1C[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C(C)(C)C1)C1CC1 ZINC001571273064 945678259 /nfs/dbraw/zinc/67/82/59/945678259.db2.gz OFZOQZUXVHAYHE-UONOGXRCSA-N -1 1 386.460 1.039 20 0 GDADMM CO[C@@H](C(=O)N1C[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C(C)(C)C1)C1CC1 ZINC001571273064 945678265 /nfs/dbraw/zinc/67/82/65/945678265.db2.gz OFZOQZUXVHAYHE-UONOGXRCSA-N -1 1 386.460 1.039 20 0 GDADMM O=C(CC1CCOCC1)N1CCC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571273083 945680358 /nfs/dbraw/zinc/68/03/58/945680358.db2.gz OQGNUKBFDXBKKR-CQSZACIVSA-N -1 1 386.460 1.124 20 0 GDADMM O=C(CC1CCOCC1)N1CCC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571273083 945680362 /nfs/dbraw/zinc/68/03/62/945680362.db2.gz OQGNUKBFDXBKKR-CQSZACIVSA-N -1 1 386.460 1.124 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)[C@H]2CN(C(=O)C3CCCC3)CCO2)n1 ZINC001571273197 945681561 /nfs/dbraw/zinc/68/15/61/945681561.db2.gz SJLRHGSIDLGPRJ-SWLSCSKDSA-N -1 1 386.460 1.183 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)[C@H]2CN(C(=O)C3CCCC3)CCO2)n1 ZINC001571273197 945681566 /nfs/dbraw/zinc/68/15/66/945681566.db2.gz SJLRHGSIDLGPRJ-SWLSCSKDSA-N -1 1 386.460 1.183 20 0 GDADMM O=C(CC[C@@H]1CCOC1)N1CC[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571273344 945685513 /nfs/dbraw/zinc/68/55/13/945685513.db2.gz VVZFAROUYBPATB-UONOGXRCSA-N -1 1 386.460 1.124 20 0 GDADMM O=C(CC[C@@H]1CCOC1)N1CC[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571273344 945685520 /nfs/dbraw/zinc/68/55/20/945685520.db2.gz VVZFAROUYBPATB-UONOGXRCSA-N -1 1 386.460 1.124 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CN(C(=O)C[C@@H](C)C3CC3)CCO2)n1 ZINC001571273478 945690636 /nfs/dbraw/zinc/69/06/36/945690636.db2.gz YBDPXWWIGGVKRX-RISCZKNCSA-N -1 1 386.460 1.041 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CN(C(=O)C[C@@H](C)C3CC3)CCO2)n1 ZINC001571273478 945690643 /nfs/dbraw/zinc/69/06/43/945690643.db2.gz YBDPXWWIGGVKRX-RISCZKNCSA-N -1 1 386.460 1.041 20 0 GDADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC001571275898 945718923 /nfs/dbraw/zinc/71/89/23/945718923.db2.gz FEEUOCNWDKIPPA-DZGBDDFRSA-N -1 1 386.456 1.677 20 0 GDADMM CCn1cnc(C(=O)NC[C@H]2CCCN2c2snc(C)c2-c2nn[n-]n2)c1 ZINC001571281094 945796961 /nfs/dbraw/zinc/79/69/61/945796961.db2.gz CGLMMFMUEDWIJB-LLVKDONJSA-N -1 1 387.473 1.247 20 0 GDADMM Cc1nsc(N2CC[C@@H](N(C)C(=O)c3n[nH]c(C)c3C)C2)c1-c1nn[n-]n1 ZINC001571281221 945801135 /nfs/dbraw/zinc/80/11/35/945801135.db2.gz FVNGSLYSCNATSC-LLVKDONJSA-N -1 1 387.473 1.322 20 0 GDADMM C[C@]1(CNc2nccnc2-c2nnn[n-]2)CCN(C(=O)c2ccc(Cl)[nH]2)C1 ZINC001571283711 945889349 /nfs/dbraw/zinc/88/93/49/945889349.db2.gz HHSUPQQDZKYOCO-MRXNPFEDSA-N -1 1 387.835 1.603 20 0 GDADMM C[C@]1(CNc2nccnc2-c2nn[n-]n2)CCN(C(=O)c2ccc(Cl)[nH]2)C1 ZINC001571283711 945889361 /nfs/dbraw/zinc/88/93/61/945889361.db2.gz HHSUPQQDZKYOCO-MRXNPFEDSA-N -1 1 387.835 1.603 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(CCO)Cc1ccccc1 ZINC000822004130 945916609 /nfs/dbraw/zinc/91/66/09/945916609.db2.gz AYZDXGPSCCNVEI-UHFFFAOYSA-N -1 1 396.451 1.538 20 0 GDADMM O=C(N[C@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cc(Cl)c[nH]1 ZINC001571285839 945930742 /nfs/dbraw/zinc/93/07/42/945930742.db2.gz PMHWEEXGXQOYCF-QWRGUYRKSA-N -1 1 387.835 1.791 20 0 GDADMM O=C(N[C@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cc(Cl)c[nH]1 ZINC001571285839 945930748 /nfs/dbraw/zinc/93/07/48/945930748.db2.gz PMHWEEXGXQOYCF-QWRGUYRKSA-N -1 1 387.835 1.791 20 0 GDADMM C[C@@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1sccc1F ZINC001571286636 945953625 /nfs/dbraw/zinc/95/36/25/945953625.db2.gz NGBXWKQPZFYXSL-NXEZZACHSA-N -1 1 388.432 1.384 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(F)s2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571286854 945960440 /nfs/dbraw/zinc/96/04/40/945960440.db2.gz TZWTVBZZZZDCOW-VHSXEESVSA-N -1 1 388.432 1.678 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(F)s2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571286854 945960445 /nfs/dbraw/zinc/96/04/45/945960445.db2.gz TZWTVBZZZZDCOW-VHSXEESVSA-N -1 1 388.432 1.678 20 0 GDADMM C=Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001571287591 945975922 /nfs/dbraw/zinc/97/59/22/945975922.db2.gz FPOQTSLHIMNRLC-IYBDPMFKSA-N -1 1 388.435 1.793 20 0 GDADMM C=Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001571287591 945975929 /nfs/dbraw/zinc/97/59/29/945975929.db2.gz FPOQTSLHIMNRLC-IYBDPMFKSA-N -1 1 388.435 1.793 20 0 GDADMM CC(C)[C@@H](F)C(=O)N1C[C@@H]2CCC[C@]2(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571288499 945987979 /nfs/dbraw/zinc/98/79/79/945987979.db2.gz PQMHIMIOCYCRFD-PNPHSEOMSA-N -1 1 388.451 1.691 20 0 GDADMM CC(C)[C@@H](F)C(=O)N1C[C@@H]2CCC[C@]2(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571288499 945987982 /nfs/dbraw/zinc/98/79/82/945987982.db2.gz PQMHIMIOCYCRFD-PNPHSEOMSA-N -1 1 388.451 1.691 20 0 GDADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H]1CCCN(C(=O)C2(F)CCCC2)C1 ZINC001571288939 945994998 /nfs/dbraw/zinc/99/49/98/945994998.db2.gz UVASRFVSAOJXLS-OLZOCXBDSA-N -1 1 388.451 1.978 20 0 GDADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H]1CCCN(C(=O)C2(F)CCCC2)C1 ZINC001571288939 945995005 /nfs/dbraw/zinc/99/50/05/945995005.db2.gz UVASRFVSAOJXLS-OLZOCXBDSA-N -1 1 388.451 1.978 20 0 GDADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@@H]1CCCN(C(=O)C2(F)CCCC2)C1 ZINC001571288938 945996404 /nfs/dbraw/zinc/99/64/04/945996404.db2.gz UVASRFVSAOJXLS-CHWSQXEVSA-N -1 1 388.451 1.978 20 0 GDADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)C2(F)CCCC2)C1 ZINC001571288938 945996409 /nfs/dbraw/zinc/99/64/09/945996409.db2.gz UVASRFVSAOJXLS-CHWSQXEVSA-N -1 1 388.451 1.978 20 0 GDADMM C[C@@H]1CN(C(=O)C2(F)CCCCC2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571289435 946005840 /nfs/dbraw/zinc/00/58/40/946005840.db2.gz DEQALGFFKKRONF-CHWSQXEVSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@@H]1CN(C(=O)C2(F)CCCCC2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571289435 946005853 /nfs/dbraw/zinc/00/58/53/946005853.db2.gz DEQALGFFKKRONF-CHWSQXEVSA-N -1 1 388.451 1.836 20 0 GDADMM Cc1nsc(N[C@H](C)[C@H]2CCCCN2C(=O)c2nc[nH]n2)c1-c1nn[n-]n1 ZINC001571289738 946017353 /nfs/dbraw/zinc/01/73/53/946017353.db2.gz LMSYMRYAIFOQGX-PSASIEDQSA-N -1 1 388.461 1.245 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)CC(C)(C)O)[C@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001571289837 946019229 /nfs/dbraw/zinc/01/92/29/946019229.db2.gz NORCLRWHONSGME-VXGBXAGGSA-N -1 1 388.476 1.172 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)CC(C)(C)O)[C@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001571289837 946019243 /nfs/dbraw/zinc/01/92/43/946019243.db2.gz NORCLRWHONSGME-VXGBXAGGSA-N -1 1 388.476 1.172 20 0 GDADMM Cc1conc1C(=O)N[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)[C@@H](C)C1 ZINC001571289871 946019397 /nfs/dbraw/zinc/01/93/97/946019397.db2.gz ONWXZKZUVJVCCZ-ONGXEEELSA-N -1 1 388.457 1.715 20 0 GDADMM Cc1nc(C(=O)N2CCCN(c3snc(C)c3-c3nn[n-]n3)CC2)c(C)o1 ZINC001571289944 946022395 /nfs/dbraw/zinc/02/23/95/946022395.db2.gz QHWMJJONDZBHID-UHFFFAOYSA-N -1 1 388.457 1.589 20 0 GDADMM CO[C@H](C(=O)N1CCC(CN(C)c2cncc(-c3nnn[n-]3)n2)CC1)C(C)C ZINC001571290117 946029085 /nfs/dbraw/zinc/02/90/85/946029085.db2.gz VOECCPCJIGCDBO-INIZCTEOSA-N -1 1 388.476 1.003 20 0 GDADMM CO[C@H](C(=O)N1CCC(CN(C)c2cncc(-c3nn[n-]n3)n2)CC1)C(C)C ZINC001571290117 946029097 /nfs/dbraw/zinc/02/90/97/946029097.db2.gz VOECCPCJIGCDBO-INIZCTEOSA-N -1 1 388.476 1.003 20 0 GDADMM O=C(C1CCC(F)CC1)N1CC[C@@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571290204 946032559 /nfs/dbraw/zinc/03/25/59/946032559.db2.gz XOJXDXOPAADQJZ-IYXRBSQSSA-N -1 1 388.451 1.257 20 0 GDADMM Cc1ncc(CC(=O)N2C[C@H](C)[C@H](Nc3snc(C)c3-c3nn[n-]n3)C2)o1 ZINC001571290246 946036129 /nfs/dbraw/zinc/03/61/29/946036129.db2.gz YLIZALOSXZNJQF-QPUJVOFHSA-N -1 1 388.457 1.430 20 0 GDADMM O=C(N[C@@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1ccoc1Cl ZINC001571290652 946049881 /nfs/dbraw/zinc/04/98/81/946049881.db2.gz KVORYUHIAUNKJO-VHSXEESVSA-N -1 1 388.819 1.336 20 0 GDADMM CS[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571290686 946051120 /nfs/dbraw/zinc/05/11/20/946051120.db2.gz LWMJBORXAPKMML-PRXAMGSTSA-N -1 1 388.501 1.449 20 0 GDADMM CS[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571290686 946051131 /nfs/dbraw/zinc/05/11/31/946051131.db2.gz LWMJBORXAPKMML-PRXAMGSTSA-N -1 1 388.501 1.449 20 0 GDADMM Cc1nsc(N[C@H](C)[C@H]2CN(C(=O)c3ccco3)CCO2)c1-c1nn[n-]n1 ZINC001571293478 946106137 /nfs/dbraw/zinc/10/61/37/946106137.db2.gz JHVCLRSMOWWTKP-BXKDBHETSA-N -1 1 389.441 1.566 20 0 GDADMM Clc1cnc(N2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)nc1 ZINC000822591580 946134202 /nfs/dbraw/zinc/13/42/02/946134202.db2.gz VWPLYUILIHIQBB-UHFFFAOYSA-N -1 1 399.802 1.885 20 0 GDADMM Cc1nsc(NC[C@H]2CC[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)c1-c1nn[n-]n1 ZINC001571295277 946160175 /nfs/dbraw/zinc/16/01/75/946160175.db2.gz RSEZWDBDPMGDHO-ZXPJVPCYSA-N -1 1 389.485 1.221 20 0 GDADMM O=C([C@H]1C[C@@H]1C(F)F)N1CCC[C@@H]2[C@@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001571296296 946191939 /nfs/dbraw/zinc/19/19/39/946191939.db2.gz TXKLZAWALOBPFE-DJIHRAIXSA-N -1 1 390.398 1.128 20 0 GDADMM O=C([C@H]1C[C@@H]1C(F)F)N1CCC[C@@H]2[C@@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001571296296 946191951 /nfs/dbraw/zinc/19/19/51/946191951.db2.gz TXKLZAWALOBPFE-DJIHRAIXSA-N -1 1 390.398 1.128 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)[C@@H]1CCCc2ccccc21 ZINC001571298094 946206089 /nfs/dbraw/zinc/20/60/89/946206089.db2.gz JHKGYUJVCBTYMD-IIAWOOMASA-N -1 1 390.451 1.258 20 0 GDADMM O=C(C1Cc2ccccc2C1)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571298146 946209565 /nfs/dbraw/zinc/20/95/65/946209565.db2.gz AOAIRJFRYRNTOT-MRXNPFEDSA-N -1 1 390.451 1.475 20 0 GDADMM O=C(C1Cc2ccccc2C1)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571298146 946209572 /nfs/dbraw/zinc/20/95/72/946209572.db2.gz AOAIRJFRYRNTOT-MRXNPFEDSA-N -1 1 390.451 1.475 20 0 GDADMM O=C(NC[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)[C@H]1Cc2ccccc21 ZINC001571298291 946211829 /nfs/dbraw/zinc/21/18/29/946211829.db2.gz MSKZYFWRKXKMPW-CJNGLKHVSA-N -1 1 390.451 1.329 20 0 GDADMM O=C(NC[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)[C@H]1Cc2ccccc21 ZINC001571298291 946211839 /nfs/dbraw/zinc/21/18/39/946211839.db2.gz MSKZYFWRKXKMPW-CJNGLKHVSA-N -1 1 390.451 1.329 20 0 GDADMM O=C(NCc1ccc(CNc2ccnc(-c3nn[n-]n3)n2)cc1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001571298296 946212441 /nfs/dbraw/zinc/21/24/41/946212441.db2.gz MTXZKGYYYNAQGX-QLPKVWCKSA-N -1 1 390.451 1.353 20 0 GDADMM O=C(c1ccccc1)N1CCC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001571298304 946213023 /nfs/dbraw/zinc/21/30/23/946213023.db2.gz MZNQSYVWMMQKBK-FQEVSTJZSA-N -1 1 390.451 1.789 20 0 GDADMM O=C(c1ccccc1)N1CCC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001571298304 946213033 /nfs/dbraw/zinc/21/30/33/946213033.db2.gz MZNQSYVWMMQKBK-FQEVSTJZSA-N -1 1 390.451 1.789 20 0 GDADMM O=C(C[C@@H]1CCc2ccccc21)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571298463 946217987 /nfs/dbraw/zinc/21/79/87/946217987.db2.gz OIHKYABVFFKSID-LSDHHAIUSA-N -1 1 390.451 1.472 20 0 GDADMM O=C(C[C@@H]1CCc2ccccc21)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571298463 946218000 /nfs/dbraw/zinc/21/80/00/946218000.db2.gz OIHKYABVFFKSID-LSDHHAIUSA-N -1 1 390.451 1.472 20 0 GDADMM O=C(NC[C@H]1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)[C@H]1Cc2ccccc21 ZINC001571298510 946218329 /nfs/dbraw/zinc/21/83/29/946218329.db2.gz PQWGGPKTCDWGON-BJJXKVORSA-N -1 1 390.451 1.115 20 0 GDADMM Cc1nsc(NC[C@@H]2CN(C(=O)c3cscn3)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571298473 946220155 /nfs/dbraw/zinc/22/01/55/946220155.db2.gz OQVNSUYONPZVGK-PSASIEDQSA-N -1 1 390.498 1.908 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2(c3ccccc3)CC2)CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571298676 946223708 /nfs/dbraw/zinc/22/37/08/946223708.db2.gz JBEJREHSUIBKID-HIFRSBDPSA-N -1 1 390.451 1.472 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2(c3ccccc3)CC2)CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571298676 946223725 /nfs/dbraw/zinc/22/37/25/946223725.db2.gz JBEJREHSUIBKID-HIFRSBDPSA-N -1 1 390.451 1.472 20 0 GDADMM O=C(N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C1(c2ccccc2)CCC1 ZINC001571298936 946233851 /nfs/dbraw/zinc/23/38/51/946233851.db2.gz RWEUNFRSOWJYGU-HNNXBMFYSA-N -1 1 390.451 1.791 20 0 GDADMM O=C(N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C1(c2ccccc2)CCC1 ZINC001571298936 946233860 /nfs/dbraw/zinc/23/38/60/946233860.db2.gz RWEUNFRSOWJYGU-HNNXBMFYSA-N -1 1 390.451 1.791 20 0 GDADMM Cc1cccc(C2(C(=O)N[C@H]3CCN(c4nccnc4-c4nnn[n-]4)C3)CC2)c1 ZINC001571298985 946234772 /nfs/dbraw/zinc/23/47/72/946234772.db2.gz MRQFPOIDXOFUAV-HNNXBMFYSA-N -1 1 390.451 1.392 20 0 GDADMM Cc1cccc(C2(C(=O)N[C@H]3CCN(c4nccnc4-c4nn[n-]n4)C3)CC2)c1 ZINC001571298985 946234781 /nfs/dbraw/zinc/23/47/81/946234781.db2.gz MRQFPOIDXOFUAV-HNNXBMFYSA-N -1 1 390.451 1.392 20 0 GDADMM O=C(c1ccccc1)N1CC[C@@]2(C1)CCCN(c1nccnc1-c1nnn[n-]1)C2 ZINC001571299588 946256940 /nfs/dbraw/zinc/25/69/40/946256940.db2.gz XZLZDBZBGFWIJB-FQEVSTJZSA-N -1 1 390.451 1.789 20 0 GDADMM O=C(c1ccccc1)N1CC[C@@]2(C1)CCCN(c1nccnc1-c1nn[n-]n1)C2 ZINC001571299588 946256949 /nfs/dbraw/zinc/25/69/49/946256949.db2.gz XZLZDBZBGFWIJB-FQEVSTJZSA-N -1 1 390.451 1.789 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1ccnc(Oc2ccc(F)cc2)c1 ZINC000823131526 946325957 /nfs/dbraw/zinc/32/59/57/946325957.db2.gz IQYPLGFPOUXYOM-UHFFFAOYSA-N -1 1 395.358 1.101 20 0 GDADMM O=C(N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)C1(c2ccccn2)CC1 ZINC001571303358 946334465 /nfs/dbraw/zinc/33/44/65/946334465.db2.gz PCDCDOGADOGGAI-ZDUSSCGKSA-N -1 1 391.439 1.186 20 0 GDADMM O=C(N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)C1(c2ccccn2)CC1 ZINC001571303358 946334476 /nfs/dbraw/zinc/33/44/76/946334476.db2.gz PCDCDOGADOGGAI-ZDUSSCGKSA-N -1 1 391.439 1.186 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@H]3[C@@H]2CCN3c2ccc(-c3nnn[n-]3)nn2)cn1 ZINC001571303672 946346284 /nfs/dbraw/zinc/34/62/84/946346284.db2.gz VIFVDDIKDVOGLQ-HOTGVXAUSA-N -1 1 391.439 1.244 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@H]3[C@@H]2CCN3c2ccc(-c3nn[n-]n3)nn2)cn1 ZINC001571303672 946346294 /nfs/dbraw/zinc/34/62/94/946346294.db2.gz VIFVDDIKDVOGLQ-HOTGVXAUSA-N -1 1 391.439 1.244 20 0 GDADMM Cc1nsc(N2C[C@@H](NC(=O)[C@@H]3CCCCO3)C(C)(C)C2)c1-c1nn[n-]n1 ZINC001571305669 946370469 /nfs/dbraw/zinc/37/04/69/946370469.db2.gz IXPAVKBPMKILII-NWDGAFQWSA-N -1 1 391.501 1.532 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001571305822 946376289 /nfs/dbraw/zinc/37/62/89/946376289.db2.gz KXSARGRIARUYNM-VXNVDRBHSA-N -1 1 391.848 1.339 20 0 GDADMM CCO[C@H]1C[C@@H]1C(=O)N1CCC(CNc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001571306327 946397463 /nfs/dbraw/zinc/39/74/63/946397463.db2.gz SRGNZZRLWSJOJQ-STQMWFEESA-N -1 1 391.501 1.707 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC(C)(C)[C@@H](O)C(F)(F)F)cc1-c1nn[n-]n1 ZINC001571307244 946420507 /nfs/dbraw/zinc/42/05/07/946420507.db2.gz AUSGNUVEVPELPO-LLVKDONJSA-N -1 1 392.363 1.121 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571307267 946420625 /nfs/dbraw/zinc/42/06/25/946420625.db2.gz BPRLYQIFSKAHFI-LLVKDONJSA-N -1 1 392.414 1.885 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571307267 946420630 /nfs/dbraw/zinc/42/06/30/946420630.db2.gz BPRLYQIFSKAHFI-LLVKDONJSA-N -1 1 392.414 1.885 20 0 GDADMM C[C@H]1CCN(C(=O)C2(C(F)F)CC2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571307235 946421123 /nfs/dbraw/zinc/42/11/23/946421123.db2.gz AFUJHDYEDKIIPL-WDEREUQCSA-N -1 1 392.414 1.020 20 0 GDADMM CN(C(=O)[C@@H]1CCCCC1(F)F)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571307534 946422991 /nfs/dbraw/zinc/42/29/91/946422991.db2.gz DIEYLOSLVUBKRN-NEPJUHHUSA-N -1 1 392.414 1.519 20 0 GDADMM CN(C(=O)[C@@H]1CCCCC1(F)F)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571307534 946422994 /nfs/dbraw/zinc/42/29/94/946422994.db2.gz DIEYLOSLVUBKRN-NEPJUHHUSA-N -1 1 392.414 1.519 20 0 GDADMM CN(C[C@H]1CCN(C(=O)[C@H]2CCC(F)(F)C2)C1)c1nccnc1-c1nnn[n-]1 ZINC001571307600 946425305 /nfs/dbraw/zinc/42/53/05/946425305.db2.gz GELZGODOKHZUQO-NEPJUHHUSA-N -1 1 392.414 1.377 20 0 GDADMM CN(C[C@H]1CCN(C(=O)[C@H]2CCC(F)(F)C2)C1)c1nccnc1-c1nn[n-]n1 ZINC001571307600 946425309 /nfs/dbraw/zinc/42/53/09/946425309.db2.gz GELZGODOKHZUQO-NEPJUHHUSA-N -1 1 392.414 1.377 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCCN2C(=O)C2(C(F)F)CCC2)n1 ZINC001571307867 946427052 /nfs/dbraw/zinc/42/70/52/946427052.db2.gz IEXSDEFVTWHTCP-LLVKDONJSA-N -1 1 392.414 1.803 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCCN2C(=O)C2(C(F)F)CCC2)n1 ZINC001571307867 946427057 /nfs/dbraw/zinc/42/70/57/946427057.db2.gz IEXSDEFVTWHTCP-LLVKDONJSA-N -1 1 392.414 1.803 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCC[C@@H]2CNC(=O)[C@H]2C[C@@H]2C(F)F)n1 ZINC001571307826 946427205 /nfs/dbraw/zinc/42/72/05/946427205.db2.gz HLFMDBUPXDKDHK-WOPDTQHZSA-N -1 1 392.414 1.341 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCC[C@@H]2CNC(=O)[C@H]2C[C@@H]2C(F)F)n1 ZINC001571307826 946427210 /nfs/dbraw/zinc/42/72/10/946427210.db2.gz HLFMDBUPXDKDHK-WOPDTQHZSA-N -1 1 392.414 1.341 20 0 GDADMM CCc1nc(N[C@H]2CCN(C(=O)[C@@H]3CCC(F)(F)C3)C2)cc(-c2nnn[n-]2)n1 ZINC001571308101 946431217 /nfs/dbraw/zinc/43/12/17/946431217.db2.gz MRSTVBZDKGXQFN-MNOVXSKESA-N -1 1 392.414 1.667 20 0 GDADMM CCc1nc(N[C@H]2CCN(C(=O)[C@@H]3CCC(F)(F)C3)C2)cc(-c2nn[n-]n2)n1 ZINC001571308101 946431222 /nfs/dbraw/zinc/43/12/22/946431222.db2.gz MRSTVBZDKGXQFN-MNOVXSKESA-N -1 1 392.414 1.667 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC2CCC(N(C)C(=O)[C@H]3CC3(F)F)CC2)n1 ZINC001571308413 946433256 /nfs/dbraw/zinc/43/32/56/946433256.db2.gz PVKKHYJTINNHSK-HTAVTVPLSA-N -1 1 392.414 1.802 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC2CCC(N(C)C(=O)[C@H]3CC3(F)F)CC2)n1 ZINC001571308413 946433260 /nfs/dbraw/zinc/43/32/60/946433260.db2.gz PVKKHYJTINNHSK-HTAVTVPLSA-N -1 1 392.414 1.802 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C[C@H]2CCCC2(F)F)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571308593 946434961 /nfs/dbraw/zinc/43/49/61/946434961.db2.gz RYZSVWNPTCNDOZ-UTUOFQBUSA-N -1 1 392.414 1.566 20 0 GDADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)C[C@H]2CCC(F)(F)C2)C1 ZINC001571308821 946437251 /nfs/dbraw/zinc/43/72/51/946437251.db2.gz TUKHHFVCFYQVRF-VXGBXAGGSA-N -1 1 392.414 1.519 20 0 GDADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)C[C@H]2CCC(F)(F)C2)C1 ZINC001571308821 946437262 /nfs/dbraw/zinc/43/72/62/946437262.db2.gz TUKHHFVCFYQVRF-VXGBXAGGSA-N -1 1 392.414 1.519 20 0 GDADMM O=C(c1cncc(F)c1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000823497915 946437468 /nfs/dbraw/zinc/43/74/68/946437468.db2.gz AMRRZXXITQRIRJ-UHFFFAOYSA-N -1 1 384.375 1.229 20 0 GDADMM O=C([C@H]1CC12CCC2)N1C[C@@H]2C[C@H]1CN2c1snc(Cl)c1-c1nnn[n-]1 ZINC001571308867 946438331 /nfs/dbraw/zinc/43/83/31/946438331.db2.gz TYVRBYCNUDNFNJ-LPEHRKFASA-N -1 1 391.888 1.956 20 0 GDADMM O=C([C@H]1CC12CCC2)N1C[C@@H]2C[C@H]1CN2c1snc(Cl)c1-c1nn[n-]n1 ZINC001571308867 946438336 /nfs/dbraw/zinc/43/83/36/946438336.db2.gz TYVRBYCNUDNFNJ-LPEHRKFASA-N -1 1 391.888 1.956 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N(C)C[C@H]2CCCN2C(=O)[C@H]2CC2(F)F)n1 ZINC001571309119 946440417 /nfs/dbraw/zinc/44/04/17/946440417.db2.gz WWKRXEUDFPHZJV-GHMZBOCLSA-N -1 1 392.414 1.302 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N(C)C[C@H]2CCCN2C(=O)[C@H]2CC2(F)F)n1 ZINC001571309119 946440422 /nfs/dbraw/zinc/44/04/22/946440422.db2.gz WWKRXEUDFPHZJV-GHMZBOCLSA-N -1 1 392.414 1.302 20 0 GDADMM C[C@H](Nc1nccnc1-c1nnn[n-]1)[C@H]1CCN(C(=O)CC2CC(F)(F)C2)C1 ZINC001571309352 946442684 /nfs/dbraw/zinc/44/26/84/946442684.db2.gz YFTZFUDWRVTYDH-JQWIXIFHSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)[C@H]1CCN(C(=O)CC2CC(F)(F)C2)C1 ZINC001571309352 946442692 /nfs/dbraw/zinc/44/26/92/946442692.db2.gz YFTZFUDWRVTYDH-JQWIXIFHSA-N -1 1 392.414 1.741 20 0 GDADMM O=C([C@H]1CCC(F)(F)C1)N1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571309368 946442805 /nfs/dbraw/zinc/44/28/05/946442805.db2.gz YKDXPOQYKWXCFX-NWDGAFQWSA-N -1 1 392.414 1.307 20 0 GDADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CCN(C(=O)[C@H]2CCC2(F)F)CC1 ZINC001571309385 946442985 /nfs/dbraw/zinc/44/29/85/946442985.db2.gz YTMCHIOKRODEQS-CMPLNLGQSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CCN(C(=O)[C@H]2CCC2(F)F)CC1 ZINC001571309385 946442993 /nfs/dbraw/zinc/44/29/93/946442993.db2.gz YTMCHIOKRODEQS-CMPLNLGQSA-N -1 1 392.414 1.741 20 0 GDADMM O=C(N1C[C@@H]2C[C@H]1CN2c1nc(Cl)c(-c2nnn[n-]2)s1)C1(C2CC2)CC1 ZINC001571309403 946444460 /nfs/dbraw/zinc/44/44/60/946444460.db2.gz ZEKCYTKYOJPDAY-UWVGGRQHSA-N -1 1 391.888 1.956 20 0 GDADMM O=C(N1C[C@@H]2C[C@H]1CN2c1nc(Cl)c(-c2nn[n-]n2)s1)C1(C2CC2)CC1 ZINC001571309403 946444472 /nfs/dbraw/zinc/44/44/72/946444472.db2.gz ZEKCYTKYOJPDAY-UWVGGRQHSA-N -1 1 391.888 1.956 20 0 GDADMM O=C(C[C@H]1CCCC1(F)F)N1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571309558 946446916 /nfs/dbraw/zinc/44/69/16/946446916.db2.gz DFDAXYUXUFXLCO-NWDGAFQWSA-N -1 1 392.414 1.743 20 0 GDADMM O=C(C[C@H]1CCCC1(F)F)N1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571309558 946446921 /nfs/dbraw/zinc/44/69/21/946446921.db2.gz DFDAXYUXUFXLCO-NWDGAFQWSA-N -1 1 392.414 1.743 20 0 GDADMM CCC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC001571310364 946470464 /nfs/dbraw/zinc/47/04/64/946470464.db2.gz CVRYHSLDRBNYJS-UHFFFAOYSA-N -1 1 392.466 1.755 20 0 GDADMM O=C(c1ccc2c(c1)COC2)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571312504 946494244 /nfs/dbraw/zinc/49/42/44/946494244.db2.gz GGFTWKCZTJDNGV-HNNXBMFYSA-N -1 1 392.423 1.404 20 0 GDADMM O=C(c1ccc2c(c1)COC2)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571312504 946494251 /nfs/dbraw/zinc/49/42/51/946494251.db2.gz GGFTWKCZTJDNGV-HNNXBMFYSA-N -1 1 392.423 1.404 20 0 GDADMM O=C(c1occ2c1CCC2)N1CC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001571313813 946532129 /nfs/dbraw/zinc/53/21/29/946532129.db2.gz VXPHBOPQIFAYEH-SMDDNHRTSA-N -1 1 392.423 1.089 20 0 GDADMM O=C(c1occ2c1CCC2)N1CC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001571313813 946532136 /nfs/dbraw/zinc/53/21/36/946532136.db2.gz VXPHBOPQIFAYEH-SMDDNHRTSA-N -1 1 392.423 1.089 20 0 GDADMM C[C@@H](Cc1ccccc1)C(=O)N1CC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571313791 946532397 /nfs/dbraw/zinc/53/23/97/946532397.db2.gz WKBZJSNFCHYOPH-HOCLYGCPSA-N -1 1 392.467 1.573 20 0 GDADMM C[C@@H](Cc1ccccc1)C(=O)N1CC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571313791 946532403 /nfs/dbraw/zinc/53/24/03/946532403.db2.gz WKBZJSNFCHYOPH-HOCLYGCPSA-N -1 1 392.467 1.573 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@](C)(NC(=O)c3cccc(C)c3)C2)n1 ZINC001571314057 946539512 /nfs/dbraw/zinc/53/95/12/946539512.db2.gz ZHKSJOOJKJFQQE-FQEVSTJZSA-N -1 1 392.467 1.926 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@](C)(NC(=O)c3cccc(C)c3)C2)n1 ZINC001571314057 946539523 /nfs/dbraw/zinc/53/95/23/946539523.db2.gz ZHKSJOOJKJFQQE-FQEVSTJZSA-N -1 1 392.467 1.926 20 0 GDADMM C[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571314063 946540210 /nfs/dbraw/zinc/54/02/10/946540210.db2.gz ZKBROINGJOIXFM-HOCLYGCPSA-N -1 1 392.467 1.938 20 0 GDADMM C[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571314063 946540215 /nfs/dbraw/zinc/54/02/15/946540215.db2.gz ZKBROINGJOIXFM-HOCLYGCPSA-N -1 1 392.467 1.938 20 0 GDADMM CC(=O)Nc1cccc2c1CCCN2C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000824005026 946542545 /nfs/dbraw/zinc/54/25/45/946542545.db2.gz JBPFTMZRLIOKOY-UHFFFAOYSA-N -1 1 381.396 1.643 20 0 GDADMM CC(=O)Nc1cccc2c1CCCN2C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000824005026 946542562 /nfs/dbraw/zinc/54/25/62/946542562.db2.gz JBPFTMZRLIOKOY-UHFFFAOYSA-N -1 1 381.396 1.643 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)cc1C ZINC001571315648 946558394 /nfs/dbraw/zinc/55/83/94/946558394.db2.gz NASHOPZBVHQTBZ-MRXNPFEDSA-N -1 1 392.467 1.777 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)cc1C ZINC001571315648 946558405 /nfs/dbraw/zinc/55/84/05/946558405.db2.gz NASHOPZBVHQTBZ-MRXNPFEDSA-N -1 1 392.467 1.777 20 0 GDADMM Cc1ccccc1CCC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@H]1C ZINC001571316533 946578642 /nfs/dbraw/zinc/57/86/42/946578642.db2.gz FVKUFTXULVEFAP-GDBMZVCRSA-N -1 1 392.467 1.421 20 0 GDADMM Cc1cccc(CC(=O)N[C@@H]2CCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571316511 946580200 /nfs/dbraw/zinc/58/02/00/946580200.db2.gz FCFZZVOGVFPZKT-JKSUJKDBSA-N -1 1 392.467 1.469 20 0 GDADMM Cc1ccccc1C[C@@H](C)C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571317192 946602488 /nfs/dbraw/zinc/60/24/88/946602488.db2.gz XUVHUJFAMJYTKH-GDBMZVCRSA-N -1 1 392.467 1.279 20 0 GDADMM Cn1cccc1C(=O)NC[C@H]1CCCN1c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001571317485 946612025 /nfs/dbraw/zinc/61/20/25/946612025.db2.gz JSEQKHBRJJJIFZ-SECBINFHSA-N -1 1 392.876 1.714 20 0 GDADMM Cn1cccc1C(=O)NC[C@H]1CCCN1c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001571317485 946612029 /nfs/dbraw/zinc/61/20/29/946612029.db2.gz JSEQKHBRJJJIFZ-SECBINFHSA-N -1 1 392.876 1.714 20 0 GDADMM Cc1c(C(=O)N[C@H]2CCN(c3nc(Cl)c(-c4nnn[n-]4)s3)C2)ccn1C ZINC001571317505 946612143 /nfs/dbraw/zinc/61/21/43/946612143.db2.gz KIPHPCQELXNXDI-VIFPVBQESA-N -1 1 392.876 1.632 20 0 GDADMM Cc1c(C(=O)N[C@H]2CCN(c3nc(Cl)c(-c4nn[n-]n4)s3)C2)ccn1C ZINC001571317505 946612145 /nfs/dbraw/zinc/61/21/45/946612145.db2.gz KIPHPCQELXNXDI-VIFPVBQESA-N -1 1 392.876 1.632 20 0 GDADMM CC(C)n1nnnc1-c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1F ZINC000824378106 946674503 /nfs/dbraw/zinc/67/45/03/946674503.db2.gz YMZYPQXKHIMCGV-UHFFFAOYSA-N -1 1 394.374 1.888 20 0 GDADMM CC(C)n1nnnc1-c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1F ZINC000824378106 946674511 /nfs/dbraw/zinc/67/45/11/946674511.db2.gz YMZYPQXKHIMCGV-UHFFFAOYSA-N -1 1 394.374 1.888 20 0 GDADMM CC(=O)c1ccc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1C ZINC001573553068 946883127 /nfs/dbraw/zinc/88/31/27/946883127.db2.gz DEGSDZUDLNAZAX-UHFFFAOYSA-N -1 1 382.428 1.388 20 0 GDADMM CC(=O)c1ccc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1C ZINC001573553068 946883139 /nfs/dbraw/zinc/88/31/39/946883139.db2.gz DEGSDZUDLNAZAX-UHFFFAOYSA-N -1 1 382.428 1.388 20 0 GDADMM CC(=O)c1cccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC001573556122 946922859 /nfs/dbraw/zinc/92/28/59/946922859.db2.gz WSCHRBVXIFJSRV-UHFFFAOYSA-N -1 1 375.385 1.687 20 0 GDADMM C[C@@H]1[C@@H](C)N(C(=O)c2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)OC(C)(C)C ZINC000824860885 946953898 /nfs/dbraw/zinc/95/38/98/946953898.db2.gz YSSGSFHGWCUUAO-VXGBXAGGSA-N -1 1 387.444 1.732 20 0 GDADMM C[C@@H]1[C@@H](C)N(C(=O)c2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)OC(C)(C)C ZINC000824860885 946953906 /nfs/dbraw/zinc/95/39/06/946953906.db2.gz YSSGSFHGWCUUAO-VXGBXAGGSA-N -1 1 387.444 1.732 20 0 GDADMM C=C1c2ccccc2C(=O)N1CC(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC001573298869 947081412 /nfs/dbraw/zinc/08/14/12/947081412.db2.gz AAGFEQRJURWWEO-UHFFFAOYSA-N -1 1 392.423 1.883 20 0 GDADMM C=C1c2ccccc2C(=O)N1CC(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC001573298869 947081423 /nfs/dbraw/zinc/08/14/23/947081423.db2.gz AAGFEQRJURWWEO-UHFFFAOYSA-N -1 1 392.423 1.883 20 0 GDADMM CCCN(C(=O)Cc1noc(C)c1-c1nnn[n-]1)[C@H](C)C(=O)Nc1ccccc1 ZINC000825300702 947145107 /nfs/dbraw/zinc/14/51/07/947145107.db2.gz CWPNRTFGAQYUEJ-GFCCVEGCSA-N -1 1 397.439 1.971 20 0 GDADMM CCCN(C(=O)Cc1noc(C)c1-c1nn[n-]n1)[C@H](C)C(=O)Nc1ccccc1 ZINC000825300702 947145114 /nfs/dbraw/zinc/14/51/14/947145114.db2.gz CWPNRTFGAQYUEJ-GFCCVEGCSA-N -1 1 397.439 1.971 20 0 GDADMM CCOC(=O)[C@H](CNC(=O)Cc1noc(C)c1-c1nnn[n-]1)Cc1ccccc1 ZINC000825494627 947205051 /nfs/dbraw/zinc/20/50/51/947205051.db2.gz ZILLNPWIEROYHM-AWEZNQCLSA-N -1 1 398.423 1.244 20 0 GDADMM CCOC(=O)[C@H](CNC(=O)Cc1noc(C)c1-c1nn[n-]n1)Cc1ccccc1 ZINC000825494627 947205063 /nfs/dbraw/zinc/20/50/63/947205063.db2.gz ZILLNPWIEROYHM-AWEZNQCLSA-N -1 1 398.423 1.244 20 0 GDADMM CCOC(=O)CN(Cc1ccccc1)C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825517809 947210839 /nfs/dbraw/zinc/21/08/39/947210839.db2.gz NGYXVZOINGEMIJ-UHFFFAOYSA-N -1 1 384.396 1.298 20 0 GDADMM CCOC(=O)CN(Cc1ccccc1)C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825517809 947210848 /nfs/dbraw/zinc/21/08/48/947210848.db2.gz NGYXVZOINGEMIJ-UHFFFAOYSA-N -1 1 384.396 1.298 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)N(C)C2CCC(C)CC2)c1-c1nn[n-]n1 ZINC000825564885 947221617 /nfs/dbraw/zinc/22/16/17/947221617.db2.gz HTMMCWAAVDXMAD-UHFFFAOYSA-N -1 1 375.433 1.277 20 0 GDADMM C=C/C(C)=C\CC(=O)N[C@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001573315978 947264053 /nfs/dbraw/zinc/26/40/53/947264053.db2.gz DTYSSZWZRRSCFD-YLIUPVCFSA-N -1 1 380.456 1.654 20 0 GDADMM C=C/C(C)=C\CC(=O)N[C@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001573315978 947264061 /nfs/dbraw/zinc/26/40/61/947264061.db2.gz DTYSSZWZRRSCFD-YLIUPVCFSA-N -1 1 380.456 1.654 20 0 GDADMM C=C/C(C)=C/CC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCCCC1 ZINC001573317326 947297220 /nfs/dbraw/zinc/29/72/20/947297220.db2.gz NQDJWKHYFNFEEY-VGOFMYFVSA-N -1 1 382.472 1.832 20 0 GDADMM C[C@H](C(=O)N(C)C1CCN(c2nccnc2-c2nnn[n-]2)CC1)C(F)(F)F ZINC001573591447 947308899 /nfs/dbraw/zinc/30/88/99/947308899.db2.gz BROKJCIBQUZHRB-SECBINFHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@H](C(=O)N(C)C1CCN(c2nccnc2-c2nn[n-]n2)CC1)C(F)(F)F ZINC001573591447 947308913 /nfs/dbraw/zinc/30/89/13/947308913.db2.gz BROKJCIBQUZHRB-SECBINFHSA-N -1 1 384.366 1.282 20 0 GDADMM C=C/C(C)=C/CC(=O)N1CC[C@@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001573318843 947316859 /nfs/dbraw/zinc/31/68/59/947316859.db2.gz SDQVUFUZQWPNSO-KNERYOEYSA-N -1 1 380.456 1.608 20 0 GDADMM C=C/C(C)=C/CC(=O)N1CC[C@@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001573318843 947316872 /nfs/dbraw/zinc/31/68/72/947316872.db2.gz SDQVUFUZQWPNSO-KNERYOEYSA-N -1 1 380.456 1.608 20 0 GDADMM C[C@H](C(=O)N(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)C(C)(F)F ZINC001573593889 947380597 /nfs/dbraw/zinc/38/05/97/947380597.db2.gz MNTPGGQFWIUFJT-SKDRFNHKSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@H](C(=O)N(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)C(C)(F)F ZINC001573593889 947380605 /nfs/dbraw/zinc/38/06/05/947380605.db2.gz MNTPGGQFWIUFJT-SKDRFNHKSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@H](C(=O)N(C)C1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)C1CCC1 ZINC001573593944 947384063 /nfs/dbraw/zinc/38/40/63/947384063.db2.gz NRCBSMNELBTZRL-GRTSSRMGSA-N -1 1 384.488 1.696 20 0 GDADMM C[C@@H](C(=O)N(C)CCCN(C)c1cnc(-c2nnn[n-]2)cn1)c1ccsc1 ZINC001573594375 947392125 /nfs/dbraw/zinc/39/21/25/947392125.db2.gz AMLORBIVUQQNAT-GFCCVEGCSA-N -1 1 386.485 1.807 20 0 GDADMM C[C@@H](C(=O)N(C)CCCN(C)c1cnc(-c2nn[n-]n2)cn1)c1ccsc1 ZINC001573594375 947392144 /nfs/dbraw/zinc/39/21/44/947392144.db2.gz AMLORBIVUQQNAT-GFCCVEGCSA-N -1 1 386.485 1.807 20 0 GDADMM CC(C)N(CCN(C)c1cncc(-c2nnn[n-]2)n1)C(=O)[C@H](C)c1ccco1 ZINC001573605337 947529260 /nfs/dbraw/zinc/52/92/60/947529260.db2.gz WEFAWSDRWWRYMC-CYBMUJFWSA-N -1 1 384.444 1.727 20 0 GDADMM CC(C)N(CCN(C)c1cncc(-c2nn[n-]n2)n1)C(=O)[C@H](C)c1ccco1 ZINC001573605337 947529273 /nfs/dbraw/zinc/52/92/73/947529273.db2.gz WEFAWSDRWWRYMC-CYBMUJFWSA-N -1 1 384.444 1.727 20 0 GDADMM C[C@@H](C(=O)N(C)CCNc1nc(-c2nn[n-]n2)c(Cl)s1)n1cccn1 ZINC001573605346 947529561 /nfs/dbraw/zinc/52/95/61/947529561.db2.gz WMLCDMIAQUEQEJ-QMMMGPOBSA-N -1 1 381.853 1.305 20 0 GDADMM C[C@H](C(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1)c1cccc(Cl)c1 ZINC001573605324 947529705 /nfs/dbraw/zinc/52/97/05/947529705.db2.gz VSQOGYZBHACLBM-NSHDSACASA-N -1 1 386.847 1.984 20 0 GDADMM C[C@H](C(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1)c1cccc(Cl)c1 ZINC001573605324 947529716 /nfs/dbraw/zinc/52/97/16/947529716.db2.gz VSQOGYZBHACLBM-NSHDSACASA-N -1 1 386.847 1.984 20 0 GDADMM COc1cc(OC)c(OC)cc1CNC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000826181140 947560540 /nfs/dbraw/zinc/56/05/40/947560540.db2.gz MHTMUINGJBZJBD-UHFFFAOYSA-N -1 1 388.384 1.048 20 0 GDADMM COc1cc(OC)c(OC)cc1CNC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000826181140 947560551 /nfs/dbraw/zinc/56/05/51/947560551.db2.gz MHTMUINGJBZJBD-UHFFFAOYSA-N -1 1 388.384 1.048 20 0 GDADMM C[C@H](C(=O)N1CCC(C)(Nc2ccnc(-c3nn[n-]n3)n2)CC1)C(C)(F)F ZINC001573613825 947570991 /nfs/dbraw/zinc/57/09/91/947570991.db2.gz AGEXZPXNLPJHDO-SNVBAGLBSA-N -1 1 380.403 1.163 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573614334 947584054 /nfs/dbraw/zinc/58/40/54/947584054.db2.gz LYYBWZLTRPCEQA-MELADBBJSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573615477 947604397 /nfs/dbraw/zinc/60/43/97/947604397.db2.gz RQDLTNQGTZTRNI-BBBLOLIVSA-N -1 1 382.350 1.035 20 0 GDADMM C[C@@H](C(=O)N1CC[C@](C)(CNc2ccc(-c3nnn[n-]3)nn2)C1)c1ccco1 ZINC001573615599 947606998 /nfs/dbraw/zinc/60/69/98/947606998.db2.gz SXYRWBWETZOIPC-KZULUSFZSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@@H](C(=O)N1CC[C@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C1)c1ccco1 ZINC001573615599 947607004 /nfs/dbraw/zinc/60/70/04/947607004.db2.gz SXYRWBWETZOIPC-KZULUSFZSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@@H](C(=O)N1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)(C)C1)c1ccco1 ZINC001573616163 947619815 /nfs/dbraw/zinc/61/98/15/947619815.db2.gz VOTHRYADVAUIGS-YPMHNXCESA-N -1 1 382.428 1.124 20 0 GDADMM C[C@@H](C(=O)N1CCC(CN(C)c2cncc(-c3nnn[n-]3)n2)CC1)C1CCC1 ZINC001573616658 947625723 /nfs/dbraw/zinc/62/57/23/947625723.db2.gz MTGDRWQOHCXBFJ-CYBMUJFWSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](C(=O)N1CCC(CN(C)c2cncc(-c3nn[n-]n3)n2)CC1)C1CCC1 ZINC001573616658 947625730 /nfs/dbraw/zinc/62/57/30/947625730.db2.gz MTGDRWQOHCXBFJ-CYBMUJFWSA-N -1 1 384.488 1.768 20 0 GDADMM C=Cc1ccc(C(=O)NC2CC(CNc3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573354341 947629720 /nfs/dbraw/zinc/62/97/20/947629720.db2.gz AUMLSRWDYSMELP-UHFFFAOYSA-N -1 1 376.424 1.342 20 0 GDADMM C=Cc1ccc(C(=O)N(C)[C@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)cc1 ZINC001573352224 947630894 /nfs/dbraw/zinc/63/08/94/947630894.db2.gz ZCOOUOOKMMQDJX-INIZCTEOSA-N -1 1 390.451 1.959 20 0 GDADMM C=Cc1ccc(C(=O)N(C)[C@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573352224 947630897 /nfs/dbraw/zinc/63/08/97/947630897.db2.gz ZCOOUOOKMMQDJX-INIZCTEOSA-N -1 1 390.451 1.959 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)c1cccnc1 ZINC001573617329 947634497 /nfs/dbraw/zinc/63/44/97/947634497.db2.gz OTUHPKFHMBHAFM-STQMWFEESA-N -1 1 379.428 1.116 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)c1cccnc1 ZINC001573617329 947634503 /nfs/dbraw/zinc/63/45/03/947634503.db2.gz OTUHPKFHMBHAFM-STQMWFEESA-N -1 1 379.428 1.116 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001573618995 947660966 /nfs/dbraw/zinc/66/09/66/947660966.db2.gz UWIKBJIMGNZAGB-VHSXEESVSA-N -1 1 384.366 1.140 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001573618995 947660971 /nfs/dbraw/zinc/66/09/71/947660971.db2.gz UWIKBJIMGNZAGB-VHSXEESVSA-N -1 1 384.366 1.140 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N(C)Cc2ncc(Cl)n2C)cc1-c1nn[n-]n1 ZINC000826229616 947671427 /nfs/dbraw/zinc/67/14/27/947671427.db2.gz KUWBFGZFNXYXQI-UHFFFAOYSA-N -1 1 394.848 1.348 20 0 GDADMM C[C@H](C(=O)N1CCC(N(C)c2cnc(-c3nnn[n-]3)cn2)CC1)C1CCCC1 ZINC001573619862 947672314 /nfs/dbraw/zinc/67/23/14/947672314.db2.gz YJPMVABOPXQLQH-ZDUSSCGKSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](C(=O)N1CCC(N(C)c2cnc(-c3nn[n-]n3)cn2)CC1)C1CCCC1 ZINC001573619862 947672321 /nfs/dbraw/zinc/67/23/21/947672321.db2.gz YJPMVABOPXQLQH-ZDUSSCGKSA-N -1 1 384.488 1.910 20 0 GDADMM CC(=CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccccc1C ZINC001573359004 947676833 /nfs/dbraw/zinc/67/68/33/947676833.db2.gz UAVQQOCTFAQIQK-ACCUITESSA-N -1 1 380.456 1.975 20 0 GDADMM CC(=CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccccc1C ZINC001573359004 947676840 /nfs/dbraw/zinc/67/68/40/947676840.db2.gz UAVQQOCTFAQIQK-ACCUITESSA-N -1 1 380.456 1.975 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001573359728 947689113 /nfs/dbraw/zinc/68/91/13/947689113.db2.gz ZPRLZLOSVMWYNS-CTYIDZIISA-N -1 1 376.424 1.920 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573359728 947689116 /nfs/dbraw/zinc/68/91/16/947689116.db2.gz ZPRLZLOSVMWYNS-CTYIDZIISA-N -1 1 376.424 1.920 20 0 GDADMM C/C(=C/C(=O)NC1CC2(C1)CC(Nc1ccc(-c3nnn[n-]3)nn1)C2)C1CC1 ZINC001573361563 947692330 /nfs/dbraw/zinc/69/23/30/947692330.db2.gz BOLPHQRAEIMJNG-WDZFZDKYSA-N -1 1 380.456 1.852 20 0 GDADMM C/C(=C/C(=O)NC1CC2(C1)CC(Nc1ccc(-c3nn[n-]n3)nn1)C2)C1CC1 ZINC001573361563 947692338 /nfs/dbraw/zinc/69/23/38/947692338.db2.gz BOLPHQRAEIMJNG-WDZFZDKYSA-N -1 1 380.456 1.852 20 0 GDADMM C[C@H](C(=O)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1)c1cccs1 ZINC001573623759 947692664 /nfs/dbraw/zinc/69/26/64/947692664.db2.gz IKHOLKZDZZNXGB-NSHDSACASA-N -1 1 384.469 1.925 20 0 GDADMM C[C@H](C(=O)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1)c1cccs1 ZINC001573623759 947692673 /nfs/dbraw/zinc/69/26/73/947692673.db2.gz IKHOLKZDZZNXGB-NSHDSACASA-N -1 1 384.469 1.925 20 0 GDADMM C/C(=C\C(=O)N1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)CC1)C1CC1 ZINC001573361814 947696266 /nfs/dbraw/zinc/69/62/66/947696266.db2.gz FIDVDOUSHSYYFT-CMDGGOBGSA-N -1 1 379.877 1.982 20 0 GDADMM C/C(=C\C(=O)N1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)CC1)C1CC1 ZINC001573361814 947696275 /nfs/dbraw/zinc/69/62/75/947696275.db2.gz FIDVDOUSHSYYFT-CMDGGOBGSA-N -1 1 379.877 1.982 20 0 GDADMM CC(=O)CCCC(=O)N(C)[C@@H](C)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573365642 947732257 /nfs/dbraw/zinc/73/22/57/947732257.db2.gz MXCWNEZHXQSLNK-QMMMGPOBSA-N -1 1 385.881 1.995 20 0 GDADMM CC(=O)CCCC(=O)N(C)[C@@H](C)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573365642 947732268 /nfs/dbraw/zinc/73/22/68/947732268.db2.gz MXCWNEZHXQSLNK-QMMMGPOBSA-N -1 1 385.881 1.995 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cnc(-c2nnn[n-]2)cn1)C1CCC1 ZINC001573627853 947738043 /nfs/dbraw/zinc/73/80/43/947738043.db2.gz FXUOJWLZBVBDFD-MAZHCROVSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cnc(-c2nn[n-]n2)cn1)C1CCC1 ZINC001573627853 947738055 /nfs/dbraw/zinc/73/80/55/947738055.db2.gz FXUOJWLZBVBDFD-MAZHCROVSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573628208 947747944 /nfs/dbraw/zinc/74/79/44/947747944.db2.gz GJRJGNYZZFRRLF-QWRGUYRKSA-N -1 1 380.403 1.020 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001573628443 947756272 /nfs/dbraw/zinc/75/62/72/947756272.db2.gz KVEQXCZCTYRZRG-VHSXEESVSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001573628443 947756280 /nfs/dbraw/zinc/75/62/80/947756280.db2.gz KVEQXCZCTYRZRG-VHSXEESVSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@](CO)(Nc2ccc(-c3nnn[n-]3)nn2)C1)C(C)(C)C ZINC001573628738 947764011 /nfs/dbraw/zinc/76/40/11/947764011.db2.gz JQXLFUHSJJGRKW-SGTLLEGYSA-N -1 1 388.476 1.104 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@](CO)(Nc2ccc(-c3nn[n-]n3)nn2)C1)C(C)(C)C ZINC001573628738 947764016 /nfs/dbraw/zinc/76/40/16/947764016.db2.gz JQXLFUHSJJGRKW-SGTLLEGYSA-N -1 1 388.476 1.104 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](CN(C)c2nccnc2-c2nnn[n-]2)C1)C1CCC1 ZINC001573628830 947765492 /nfs/dbraw/zinc/76/54/92/947765492.db2.gz KNEQVSHDIZUAPX-KGLIPLIRSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](CN(C)c2nccnc2-c2nn[n-]n2)C1)C1CCC1 ZINC001573628830 947765501 /nfs/dbraw/zinc/76/55/01/947765501.db2.gz KNEQVSHDIZUAPX-KGLIPLIRSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)C(C)(F)F ZINC001573629118 947772622 /nfs/dbraw/zinc/77/26/22/947772622.db2.gz MFYKRTWUKBHIIP-QWRGUYRKSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573629118 947772630 /nfs/dbraw/zinc/77/26/30/947772630.db2.gz MFYKRTWUKBHIIP-QWRGUYRKSA-N -1 1 380.403 1.599 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@@H](N(C)c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573372634 947780192 /nfs/dbraw/zinc/78/01/92/947780192.db2.gz ASQWOCCJJUYLHG-CYBMUJFWSA-N -1 1 391.501 1.818 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1)C1CC1 ZINC001573629755 947783672 /nfs/dbraw/zinc/78/36/72/947783672.db2.gz VALBQHWUGWASJS-DJJJIMSYSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1)C1CC1 ZINC001573629755 947783680 /nfs/dbraw/zinc/78/36/80/947783680.db2.gz VALBQHWUGWASJS-DJJJIMSYSA-N -1 1 382.472 1.522 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)[C@@H](C)C1 ZINC001573372987 947787017 /nfs/dbraw/zinc/78/70/17/947787017.db2.gz GTFNKTNSRCIYOB-JSGCOSHPSA-N -1 1 386.460 1.313 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)[C@@H](C)C1 ZINC001573372987 947787022 /nfs/dbraw/zinc/78/70/22/947787022.db2.gz GTFNKTNSRCIYOB-JSGCOSHPSA-N -1 1 386.460 1.313 20 0 GDADMM CC(=O)CCCC(=O)N[C@@]12CCC[C@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001573373565 947794343 /nfs/dbraw/zinc/79/43/43/947794343.db2.gz DPFIPYLZARTWSN-FZKQIMNGSA-N -1 1 384.444 1.034 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccsc1 ZINC001573630701 947794824 /nfs/dbraw/zinc/79/48/24/947794824.db2.gz RQCGNPQXNSJHKC-YPMHNXCESA-N -1 1 384.469 1.925 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccsc1 ZINC001573630701 947794833 /nfs/dbraw/zinc/79/48/33/947794833.db2.gz RQCGNPQXNSJHKC-YPMHNXCESA-N -1 1 384.469 1.925 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CC[C@H](C)N(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573373796 947799110 /nfs/dbraw/zinc/79/91/10/947799110.db2.gz FZAPFRYPHRWJKX-GXTWGEPZSA-N -1 1 386.460 1.198 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CC[C@H](C)N(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573373796 947799116 /nfs/dbraw/zinc/79/91/16/947799116.db2.gz FZAPFRYPHRWJKX-GXTWGEPZSA-N -1 1 386.460 1.198 20 0 GDADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1cccc(-c2ncn(C)n2)c1 ZINC000826280281 947804623 /nfs/dbraw/zinc/80/46/23/947804623.db2.gz VWMCUCLCSOWKTI-UHFFFAOYSA-N -1 1 396.436 1.771 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@H]1[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573374534 947810266 /nfs/dbraw/zinc/81/02/66/947810266.db2.gz NUXXYLBCQXQOES-ZFWWWQNUSA-N -1 1 386.460 1.598 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@H]1[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573374534 947810279 /nfs/dbraw/zinc/81/02/79/947810279.db2.gz NUXXYLBCQXQOES-ZFWWWQNUSA-N -1 1 386.460 1.598 20 0 GDADMM CC(=O)CCCC(=O)N[C@]12CCC[C@@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001573375145 947816258 /nfs/dbraw/zinc/81/62/58/947816258.db2.gz MJHCCZICBXQUTL-KSSFIOAISA-N -1 1 384.444 1.034 20 0 GDADMM CC(=O)CCCC(=O)N[C@]12CCC[C@@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001573375145 947816263 /nfs/dbraw/zinc/81/62/63/947816263.db2.gz MJHCCZICBXQUTL-KSSFIOAISA-N -1 1 384.444 1.034 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@H]([C@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573375701 947825202 /nfs/dbraw/zinc/82/52/02/947825202.db2.gz UBSJJQYWJBWNKE-KBPBESRZSA-N -1 1 386.460 1.455 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@H]([C@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573375701 947825208 /nfs/dbraw/zinc/82/52/08/947825208.db2.gz UBSJJQYWJBWNKE-KBPBESRZSA-N -1 1 386.460 1.455 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573376605 947838740 /nfs/dbraw/zinc/83/87/40/947838740.db2.gz ADEKUTIBZYKZCP-VIFPVBQESA-N -1 1 383.865 1.749 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573376605 947838746 /nfs/dbraw/zinc/83/87/46/947838746.db2.gz ADEKUTIBZYKZCP-VIFPVBQESA-N -1 1 383.865 1.749 20 0 GDADMM C[C@@H](C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1)c1cnn(C)c1 ZINC001573638542 947839324 /nfs/dbraw/zinc/83/93/24/947839324.db2.gz OTOYAKSJKAFFQI-GFCCVEGCSA-N -1 1 386.485 1.110 20 0 GDADMM CC(=O)CCCC(=O)N1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC001573377387 947848335 /nfs/dbraw/zinc/84/83/35/947848335.db2.gz MDLYMVLAMFSNII-UHFFFAOYSA-N -1 1 383.865 1.385 20 0 GDADMM CC(=O)CCCC(=O)N1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC001573377387 947848346 /nfs/dbraw/zinc/84/83/46/947848346.db2.gz MDLYMVLAMFSNII-UHFFFAOYSA-N -1 1 383.865 1.385 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H](C)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573378293 947854966 /nfs/dbraw/zinc/85/49/66/947854966.db2.gz YHVQGVZDAHOAFW-UONOGXRCSA-N -1 1 386.460 1.137 20 0 GDADMM CC(=O)CCCC(=O)NC[C@@H]1CCCCN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573380749 947863082 /nfs/dbraw/zinc/86/30/82/947863082.db2.gz HNRYPPORDQQXRS-AWEZNQCLSA-N -1 1 386.460 1.200 20 0 GDADMM CC(=O)CCCC(=O)NC[C@@H]1CCCCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573380749 947863086 /nfs/dbraw/zinc/86/30/86/947863086.db2.gz HNRYPPORDQQXRS-AWEZNQCLSA-N -1 1 386.460 1.200 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1F ZINC001573645837 947871889 /nfs/dbraw/zinc/87/18/89/947871889.db2.gz BTLJNXQBHUTSHX-NEPJUHHUSA-N -1 1 382.403 1.034 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cccc(F)c1 ZINC001573646235 947874044 /nfs/dbraw/zinc/87/40/44/947874044.db2.gz IIWLDGQADJHFTF-RISCZKNCSA-N -1 1 382.403 1.612 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cccc(F)c1 ZINC001573646235 947874051 /nfs/dbraw/zinc/87/40/51/947874051.db2.gz IIWLDGQADJHFTF-RISCZKNCSA-N -1 1 382.403 1.612 20 0 GDADMM CC(=O)CCCC(=O)NCCC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001573383855 947896652 /nfs/dbraw/zinc/89/66/52/947896652.db2.gz YLPHHKNPQUPEPW-AWEZNQCLSA-N -1 1 386.460 1.281 20 0 GDADMM CC(=O)CCCC(=O)NCCC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001573383855 947896658 /nfs/dbraw/zinc/89/66/58/947896658.db2.gz YLPHHKNPQUPEPW-AWEZNQCLSA-N -1 1 386.460 1.281 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](CNc2nccnc2-c2nnn[n-]2)[C@H](C)C1)C1CCCC1 ZINC001573647638 947900378 /nfs/dbraw/zinc/90/03/78/947900378.db2.gz RAHWZJUNBPWSKD-VNHYZAJKSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](CNc2nccnc2-c2nn[n-]n2)[C@H](C)C1)C1CCCC1 ZINC001573647638 947900388 /nfs/dbraw/zinc/90/03/88/947900388.db2.gz RAHWZJUNBPWSKD-VNHYZAJKSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1)C1CCCC1 ZINC001573647679 947901929 /nfs/dbraw/zinc/90/19/29/947901929.db2.gz RUOAOTVSZHMJNQ-AEGPPILISA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H](C(=O)N=[S@@](C)(=O)c1ccc(Cl)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001573652300 947935159 /nfs/dbraw/zinc/93/51/59/947935159.db2.gz WVHFXUXHTOEZRU-SRENCEJNSA-N -1 1 380.821 1.356 20 0 GDADMM C[C@H](C(=O)N[C@](C)(CNc1nccnc1-c1nnn[n-]1)C1CC1)C(C)(F)F ZINC001573653026 947950932 /nfs/dbraw/zinc/95/09/32/947950932.db2.gz IPVBLVBROACZRM-RFAUZJTJSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@H](C(=O)N[C@](C)(CNc1nccnc1-c1nn[n-]n1)C1CC1)C(C)(F)F ZINC001573653026 947950934 /nfs/dbraw/zinc/95/09/34/947950934.db2.gz IPVBLVBROACZRM-RFAUZJTJSA-N -1 1 380.403 1.645 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H]1CCCC2(C1)OCCO2 ZINC000826340794 947980006 /nfs/dbraw/zinc/98/00/06/947980006.db2.gz LDLPBRROGXVMDM-ZDUSSCGKSA-N -1 1 398.423 1.974 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H]1CCCC2(C1)OCCO2 ZINC000826340794 947980014 /nfs/dbraw/zinc/98/00/14/947980014.db2.gz LDLPBRROGXVMDM-ZDUSSCGKSA-N -1 1 398.423 1.974 20 0 GDADMM Cc1onc(CC(=O)N(C)Cc2nccn2Cc2ccccc2)c1-c1nnn[n-]1 ZINC000826342892 947985718 /nfs/dbraw/zinc/98/57/18/947985718.db2.gz DMZPDTUOEDVYFL-UHFFFAOYSA-N -1 1 392.423 1.609 20 0 GDADMM Cc1onc(CC(=O)N(C)Cc2nccn2Cc2ccccc2)c1-c1nn[n-]n1 ZINC000826342892 947985724 /nfs/dbraw/zinc/98/57/24/947985724.db2.gz DMZPDTUOEDVYFL-UHFFFAOYSA-N -1 1 392.423 1.609 20 0 GDADMM C[C@H](C(=O)NC1(C)CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C(F)(F)F ZINC001573656818 947994500 /nfs/dbraw/zinc/99/45/00/947994500.db2.gz IJZHDTSCHKFLIJ-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](C(=O)NC1(C)CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C(F)(F)F ZINC001573656818 947994509 /nfs/dbraw/zinc/99/45/09/947994509.db2.gz IJZHDTSCHKFLIJ-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM Cc1onc(CC(=O)N[C@H](c2ccccc2)C2CCOCC2)c1-c1nnn[n-]1 ZINC000826345070 948018587 /nfs/dbraw/zinc/01/85/87/948018587.db2.gz BBHZCYKNKUZNQV-GOSISDBHSA-N -1 1 382.424 1.990 20 0 GDADMM Cc1onc(CC(=O)N[C@H](c2ccccc2)C2CCOCC2)c1-c1nn[n-]n1 ZINC000826345070 948018597 /nfs/dbraw/zinc/01/85/97/948018597.db2.gz BBHZCYKNKUZNQV-GOSISDBHSA-N -1 1 382.424 1.990 20 0 GDADMM CC(C(=O)N[C@@]12CCC[C@H]1N(c1nccnc1-c1nnn[n-]1)CC2)=C1CCC1 ZINC001573662724 948026786 /nfs/dbraw/zinc/02/67/86/948026786.db2.gz FIHGAHCSUQTMHB-AUUYWEPGSA-N -1 1 380.456 1.775 20 0 GDADMM CC(C(=O)N[C@@]12CCC[C@H]1N(c1nccnc1-c1nn[n-]n1)CC2)=C1CCC1 ZINC001573662724 948026787 /nfs/dbraw/zinc/02/67/87/948026787.db2.gz FIHGAHCSUQTMHB-AUUYWEPGSA-N -1 1 380.456 1.775 20 0 GDADMM Cc1onc(CC(=O)NC[C@H](c2c(F)cccc2F)N(C)C)c1-c1nnn[n-]1 ZINC000826347154 948050449 /nfs/dbraw/zinc/05/04/49/948050449.db2.gz GSPXRLCDPHPMQD-CYBMUJFWSA-N -1 1 391.382 1.403 20 0 GDADMM Cc1onc(CC(=O)NC[C@H](c2c(F)cccc2F)N(C)C)c1-c1nn[n-]n1 ZINC000826347154 948050452 /nfs/dbraw/zinc/05/04/52/948050452.db2.gz GSPXRLCDPHPMQD-CYBMUJFWSA-N -1 1 391.382 1.403 20 0 GDADMM Cc1onc(CC(=O)NC[C@H](O)c2cc3ccccc3s2)c1-c1nnn[n-]1 ZINC000826347497 948056449 /nfs/dbraw/zinc/05/64/49/948056449.db2.gz SZHQOYMULOGLQH-LBPRGKRZSA-N -1 1 384.421 1.770 20 0 GDADMM Cc1onc(CC(=O)NC[C@H](O)c2cc3ccccc3s2)c1-c1nn[n-]n1 ZINC000826347497 948056453 /nfs/dbraw/zinc/05/64/53/948056453.db2.gz SZHQOYMULOGLQH-LBPRGKRZSA-N -1 1 384.421 1.770 20 0 GDADMM C[C@H](C(=O)NC1CC(CNc2cncc(-c3nnn[n-]3)n2)C1)c1cccnc1 ZINC001573664592 948057689 /nfs/dbraw/zinc/05/76/89/948057689.db2.gz VNHWOFINTXOCJU-DCBWTQNWSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@H](C(=O)NC1CC(CNc2cncc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573664592 948057698 /nfs/dbraw/zinc/05/76/98/948057698.db2.gz VNHWOFINTXOCJU-DCBWTQNWSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2)C(C)(F)F ZINC001573664564 948058573 /nfs/dbraw/zinc/05/85/73/948058573.db2.gz FVGHOFQJZSDBCB-GHMZBOCLSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2)C(C)(F)F ZINC001573664564 948058578 /nfs/dbraw/zinc/05/85/78/948058578.db2.gz FVGHOFQJZSDBCB-GHMZBOCLSA-N -1 1 392.414 1.423 20 0 GDADMM Cc1onc(CC(=O)NCCOc2ncc(Cl)cc2Cl)c1-c1nnn[n-]1 ZINC000826348094 948065161 /nfs/dbraw/zinc/06/51/61/948065161.db2.gz UFISMJZTGCKWEJ-UHFFFAOYSA-N -1 1 398.210 1.603 20 0 GDADMM Cc1onc(CC(=O)NCCOc2ncc(Cl)cc2Cl)c1-c1nn[n-]n1 ZINC000826348094 948065171 /nfs/dbraw/zinc/06/51/71/948065171.db2.gz UFISMJZTGCKWEJ-UHFFFAOYSA-N -1 1 398.210 1.603 20 0 GDADMM C[C@@H](C(=O)NC1CC2(C1)CC(Nc1ccnc(-c3nn[n-]n3)n1)C2)C(C)(C)C ZINC001573665249 948070403 /nfs/dbraw/zinc/07/04/03/948070403.db2.gz JNCWFPKAIBGCBE-PWZWTWNFSA-N -1 1 384.488 1.600 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2)C1CCC1 ZINC001573666823 948091899 /nfs/dbraw/zinc/09/18/99/948091899.db2.gz WNOFYHQIDOIENU-JSGCOSHPSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2)C1CCC1 ZINC001573666823 948091906 /nfs/dbraw/zinc/09/19/06/948091906.db2.gz WNOFYHQIDOIENU-JSGCOSHPSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C)C(F)(F)F ZINC001573676861 948130888 /nfs/dbraw/zinc/13/08/88/948130888.db2.gz AWXGIQXIYXHABY-PSASIEDQSA-N -1 1 384.366 1.186 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C)C(F)(F)F ZINC001573676861 948130891 /nfs/dbraw/zinc/13/08/91/948130891.db2.gz AWXGIQXIYXHABY-PSASIEDQSA-N -1 1 384.366 1.186 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C)C(C)(F)F ZINC001573677308 948134811 /nfs/dbraw/zinc/13/48/11/948134811.db2.gz CFCKIOYIEJEZAA-MWLCHTKSSA-N -1 1 380.403 1.279 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C)C(C)(F)F ZINC001573677308 948134815 /nfs/dbraw/zinc/13/48/15/948134815.db2.gz CFCKIOYIEJEZAA-MWLCHTKSSA-N -1 1 380.403 1.279 20 0 GDADMM CC(C)[C@H](CNC(=O)[C@H](C)c1cccnc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573679438 948161894 /nfs/dbraw/zinc/16/18/94/948161894.db2.gz IVXLSMINDQZGQB-DOMZBBRYSA-N -1 1 381.444 1.408 20 0 GDADMM CC(C)[C@H](CNC(=O)[C@H](C)c1cccnc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573679438 948161897 /nfs/dbraw/zinc/16/18/97/948161897.db2.gz IVXLSMINDQZGQB-DOMZBBRYSA-N -1 1 381.444 1.408 20 0 GDADMM CC(=O)N1C[C@H](C)O[C@]2(CCN(c3nc(Cl)c(-c4nnn[n-]4)s3)C2)C1 ZINC001573427222 948163455 /nfs/dbraw/zinc/16/34/55/948163455.db2.gz UTGVMRVPGLSIKX-RTHLEPHNSA-N -1 1 383.865 1.193 20 0 GDADMM CC(=O)N1C[C@H](C)O[C@]2(CCN(c3nc(Cl)c(-c4nn[n-]n4)s3)C2)C1 ZINC001573427222 948163467 /nfs/dbraw/zinc/16/34/67/948163467.db2.gz UTGVMRVPGLSIKX-RTHLEPHNSA-N -1 1 383.865 1.193 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C)C(C)(F)F ZINC001573680408 948178601 /nfs/dbraw/zinc/17/86/01/948178601.db2.gz PTLIBSKVMSDQLH-GXSJLCMTSA-N -1 1 380.403 1.279 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C)C(C)(F)F ZINC001573680408 948178604 /nfs/dbraw/zinc/17/86/04/948178604.db2.gz PTLIBSKVMSDQLH-GXSJLCMTSA-N -1 1 380.403 1.279 20 0 GDADMM CC(C)[C@@H](CNC(=O)[C@@H](C)c1cccnc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001573680437 948180683 /nfs/dbraw/zinc/18/06/83/948180683.db2.gz NSSXSIMJUIUFDA-GXTWGEPZSA-N -1 1 381.444 1.408 20 0 GDADMM CC(C)[C@@H](CNC(=O)[C@@H](C)c1cccnc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001573680437 948180690 /nfs/dbraw/zinc/18/06/90/948180690.db2.gz NSSXSIMJUIUFDA-GXTWGEPZSA-N -1 1 381.444 1.408 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C)C(C)(F)F ZINC001573680539 948182505 /nfs/dbraw/zinc/18/25/05/948182505.db2.gz QOUCOXNZRVKAOL-VHSXEESVSA-N -1 1 380.403 1.279 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCCC1)n1cccc1 ZINC001573690765 948229185 /nfs/dbraw/zinc/22/91/85/948229185.db2.gz AYWKOYRAFPHCAM-CYBMUJFWSA-N -1 1 381.444 1.560 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCCC1)n1cccc1 ZINC001573690765 948229195 /nfs/dbraw/zinc/22/91/95/948229195.db2.gz AYWKOYRAFPHCAM-CYBMUJFWSA-N -1 1 381.444 1.560 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCC1)c1cccnc1 ZINC001573691047 948234206 /nfs/dbraw/zinc/23/42/06/948234206.db2.gz CJPKNAQKVPTPHR-LBPRGKRZSA-N -1 1 379.428 1.306 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCC1)c1cccnc1 ZINC001573691047 948234213 /nfs/dbraw/zinc/23/42/13/948234213.db2.gz CJPKNAQKVPTPHR-LBPRGKRZSA-N -1 1 379.428 1.306 20 0 GDADMM C[C@@H](C(=O)NC[C@]1(C)CN(c2ccnc(-c3nn[n-]n3)n2)CCO1)C(C)(C)C ZINC001573691106 948236924 /nfs/dbraw/zinc/23/69/24/948236924.db2.gz HNHQEENVLMNFCA-KPZWWZAWSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@H](C(=O)NC[C@]1(C)CN(c2cnc(-c3nnn[n-]3)cn2)CCO1)C(C)(C)C ZINC001573691841 948247370 /nfs/dbraw/zinc/24/73/70/948247370.db2.gz KHLXGHJZJABUTG-KZULUSFZSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@H](C(=O)NC[C@]1(C)CN(c2cnc(-c3nn[n-]n3)cn2)CCO1)C(C)(C)C ZINC001573691841 948247383 /nfs/dbraw/zinc/24/73/83/948247383.db2.gz KHLXGHJZJABUTG-KZULUSFZSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCC1)c1cccs1 ZINC001573695265 948303033 /nfs/dbraw/zinc/30/30/33/948303033.db2.gz FWQDFBUHPGTDNS-NSHDSACASA-N -1 1 384.469 1.973 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCC1)c1cccs1 ZINC001573695265 948303045 /nfs/dbraw/zinc/30/30/45/948303045.db2.gz FWQDFBUHPGTDNS-NSHDSACASA-N -1 1 384.469 1.973 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCCC1)c1ccco1 ZINC001573695635 948309204 /nfs/dbraw/zinc/30/92/04/948309204.db2.gz HSKZYZUKXQWECM-GFCCVEGCSA-N -1 1 382.428 1.894 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCCC1)c1ccco1 ZINC001573695635 948309207 /nfs/dbraw/zinc/30/92/07/948309207.db2.gz HSKZYZUKXQWECM-GFCCVEGCSA-N -1 1 382.428 1.894 20 0 GDADMM O=C(Nc1ccc(N2CCC(O)CC2)c(-c2nn[nH]n2)c1)c1ccc(O)cc1[O-] ZINC000826454815 948325779 /nfs/dbraw/zinc/32/57/79/948325779.db2.gz MGQKCTWPBWEPRQ-UHFFFAOYSA-N -1 1 396.407 1.491 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(C)(F)F ZINC001573701519 948337645 /nfs/dbraw/zinc/33/76/45/948337645.db2.gz AOWBJFRGKQLNHN-MNOVXSKESA-N -1 1 380.403 1.281 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(C)(F)F ZINC001573701519 948337657 /nfs/dbraw/zinc/33/76/57/948337657.db2.gz AOWBJFRGKQLNHN-MNOVXSKESA-N -1 1 380.403 1.281 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001573703146 948352128 /nfs/dbraw/zinc/35/21/28/948352128.db2.gz IJXZDXZMYMRXLO-ZIAGYGMSSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001573703146 948352138 /nfs/dbraw/zinc/35/21/38/948352138.db2.gz IJXZDXZMYMRXLO-ZIAGYGMSSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCCN1c1nccnc1-c1nnn[n-]1)c1ccco1 ZINC001573703892 948361694 /nfs/dbraw/zinc/36/16/94/948361694.db2.gz NOIOGFROUNJSTH-STQMWFEESA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCCN1c1nccnc1-c1nn[n-]n1)c1ccco1 ZINC001573703892 948361707 /nfs/dbraw/zinc/36/17/07/948361707.db2.gz NOIOGFROUNJSTH-STQMWFEESA-N -1 1 382.428 1.529 20 0 GDADMM O=C1CCCC[C@H]1[C@H]1CCCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826479695 948392353 /nfs/dbraw/zinc/39/23/53/948392353.db2.gz FYNBZCXEXYNUJY-SWLSCSKDSA-N -1 1 393.444 1.918 20 0 GDADMM O=c1c(-c2nn[n-]n2)cccn1Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000826501407 948417893 /nfs/dbraw/zinc/41/78/93/948417893.db2.gz ORMKLDDMNKIJOU-UHFFFAOYSA-N -1 1 389.206 1.964 20 0 GDADMM O[C@@H](COc1ccc(Oc2ccccc2)cc1)Cn1cnc(-c2nn[n-]n2)n1 ZINC000826505378 948423717 /nfs/dbraw/zinc/42/37/17/948423717.db2.gz UJZNIYJZZOAVHG-CYBMUJFWSA-N -1 1 379.380 1.690 20 0 GDADMM C[C@H](C(=O)NCCCN(c1cnc(-c2nnn[n-]2)cn1)C1CC1)C1CCCC1 ZINC001573715190 948484429 /nfs/dbraw/zinc/48/44/29/948484429.db2.gz QKRKEDVGKVZADT-ZDUSSCGKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](C(=O)NCCCN(c1cnc(-c2nn[n-]n2)cn1)C1CC1)C1CCCC1 ZINC001573715190 948484438 /nfs/dbraw/zinc/48/44/38/948484438.db2.gz QKRKEDVGKVZADT-ZDUSSCGKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](C(=O)NCCCN(C)c1cncc(-c2nnn[n-]2)n1)c1cccc(F)c1 ZINC001573715586 948492637 /nfs/dbraw/zinc/49/26/37/948492637.db2.gz ZRKLKRLGPVXWCQ-LBPRGKRZSA-N -1 1 384.419 1.542 20 0 GDADMM C[C@H](C(=O)NCCCN(C)c1cncc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001573715586 948492643 /nfs/dbraw/zinc/49/26/43/948492643.db2.gz ZRKLKRLGPVXWCQ-LBPRGKRZSA-N -1 1 384.419 1.542 20 0 GDADMM CC(C(=O)NCCCN(c1nc(C)cc(-c2nnn[n-]2)n1)C1CC1)=C1CCC1 ZINC001573715593 948493831 /nfs/dbraw/zinc/49/38/31/948493831.db2.gz ZXMHNQDTOUSJCR-UHFFFAOYSA-N -1 1 382.472 1.941 20 0 GDADMM CC(C(=O)NCCCN(c1nc(C)cc(-c2nn[n-]n2)n1)C1CC1)=C1CCC1 ZINC001573715593 948493835 /nfs/dbraw/zinc/49/38/35/948493835.db2.gz ZXMHNQDTOUSJCR-UHFFFAOYSA-N -1 1 382.472 1.941 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1nccnc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC001573719726 948529271 /nfs/dbraw/zinc/52/92/71/948529271.db2.gz OLDGLUXKPBNIBT-SNVBAGLBSA-N -1 1 388.382 1.291 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1nccnc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC001573719726 948529279 /nfs/dbraw/zinc/52/92/79/948529279.db2.gz OLDGLUXKPBNIBT-SNVBAGLBSA-N -1 1 388.382 1.291 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)[C@H](C)C(C)(C)C ZINC001573725526 948541651 /nfs/dbraw/zinc/54/16/51/948541651.db2.gz ADHROTUDKBCXLT-RQJABVFESA-N -1 1 386.504 1.704 20 0 GDADMM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cccnc1 ZINC001573729440 948567069 /nfs/dbraw/zinc/56/70/69/948567069.db2.gz STNHJEMMOJYMMJ-SGMGOOAPSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cccnc1 ZINC001573729440 948567074 /nfs/dbraw/zinc/56/70/74/948567074.db2.gz STNHJEMMOJYMMJ-SGMGOOAPSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@@H](C(=O)N[C@@H](C)CNc1nccnc1-c1nnn[n-]1)c1c(F)cccc1F ZINC001573732513 948602943 /nfs/dbraw/zinc/60/29/43/948602943.db2.gz QCPJKKUPAMRVCD-VHSXEESVSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@@H](C(=O)N[C@@H](C)CNc1nccnc1-c1nn[n-]n1)c1c(F)cccc1F ZINC001573732513 948602951 /nfs/dbraw/zinc/60/29/51/948602951.db2.gz QCPJKKUPAMRVCD-VHSXEESVSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H](C)c1ccc(F)c(F)c1 ZINC001573732840 948609386 /nfs/dbraw/zinc/60/93/86/948609386.db2.gz ZGTWAHQWXVJYFA-UWVGGRQHSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H](C)c1ccc(F)c(F)c1 ZINC001573732840 948609390 /nfs/dbraw/zinc/60/93/90/948609390.db2.gz ZGTWAHQWXVJYFA-UWVGGRQHSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H](C)c1c(F)cccc1F ZINC001573742686 948662394 /nfs/dbraw/zinc/66/23/94/948662394.db2.gz QCPJKKUPAMRVCD-NXEZZACHSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H](C)c1c(F)cccc1F ZINC001573742686 948662398 /nfs/dbraw/zinc/66/23/98/948662398.db2.gz QCPJKKUPAMRVCD-NXEZZACHSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)[C@H](C)C(C)(C)C ZINC001573751883 948707342 /nfs/dbraw/zinc/70/73/42/948707342.db2.gz GMVYLYAOGLAMAT-CRQFQMBKSA-N -1 1 384.488 1.526 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)[C@H](C)C(C)(C)C ZINC001573751883 948707351 /nfs/dbraw/zinc/70/73/51/948707351.db2.gz GMVYLYAOGLAMAT-CRQFQMBKSA-N -1 1 384.488 1.526 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cccc(F)c1 ZINC001573752981 948716646 /nfs/dbraw/zinc/71/66/46/948716646.db2.gz PXEBCDKNSQFVCS-BPNCWPANSA-N -1 1 382.403 1.081 20 0 GDADMM CC(C)c1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)nc1 ZINC001574416020 948743974 /nfs/dbraw/zinc/74/39/74/948743974.db2.gz NWFMOQPQZJXYPL-IUODEOHRSA-N -1 1 393.455 1.170 20 0 GDADMM CC(C)c1ccc(C(=O)NC[C@H](C)N(C)c2ccnc(-c3nn[n-]n3)n2)nc1 ZINC001574416329 948746982 /nfs/dbraw/zinc/74/69/82/948746982.db2.gz QWNJXRKKKOUYSS-LBPRGKRZSA-N -1 1 381.444 1.430 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cc(C(C)(C)C)on1 ZINC001574678802 948759964 /nfs/dbraw/zinc/75/99/64/948759964.db2.gz IZURNRTVLDODTI-JTQLQIEISA-N -1 1 385.432 1.563 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cc(C(C)(C)C)on1 ZINC001574678802 948759978 /nfs/dbraw/zinc/75/99/78/948759978.db2.gz IZURNRTVLDODTI-JTQLQIEISA-N -1 1 385.432 1.563 20 0 GDADMM CC(C)[C@@H](F)C(=O)N[C@H](C)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001574078984 948760350 /nfs/dbraw/zinc/76/03/50/948760350.db2.gz HHWVRTOPQFSQHU-DGCLKSJQSA-N -1 1 376.440 1.372 20 0 GDADMM CC(C)[C@@H](F)C(=O)N[C@H](C)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001574078984 948760360 /nfs/dbraw/zinc/76/03/60/948760360.db2.gz HHWVRTOPQFSQHU-DGCLKSJQSA-N -1 1 376.440 1.372 20 0 GDADMM CC(C)c1cccc(C(=O)NCC[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)n1 ZINC001574417427 948765051 /nfs/dbraw/zinc/76/50/51/948765051.db2.gz NFJUGJAWFNOZPX-LBPRGKRZSA-N -1 1 381.444 1.796 20 0 GDADMM CC(C)c1cccc(C(=O)NCC[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)n1 ZINC001574417427 948765062 /nfs/dbraw/zinc/76/50/62/948765062.db2.gz NFJUGJAWFNOZPX-LBPRGKRZSA-N -1 1 381.444 1.796 20 0 GDADMM CC(C)c1cccc(C(=O)N(C)[C@@H](C)CNc2cncc(-c3nnn[n-]3)n2)n1 ZINC001574417516 948769825 /nfs/dbraw/zinc/76/98/25/948769825.db2.gz QNTWBUOGJLCDBJ-LBPRGKRZSA-N -1 1 381.444 1.748 20 0 GDADMM CC(C)c1cccc(C(=O)N(C)[C@@H](C)CNc2cncc(-c3nn[n-]n3)n2)n1 ZINC001574417516 948769839 /nfs/dbraw/zinc/76/98/39/948769839.db2.gz QNTWBUOGJLCDBJ-LBPRGKRZSA-N -1 1 381.444 1.748 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@@H](C)[C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)n1 ZINC001574418220 948776756 /nfs/dbraw/zinc/77/67/56/948776756.db2.gz VRKXBDHRHGATIO-RYUDHWBXSA-N -1 1 381.444 1.216 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CCC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001575223979 948778244 /nfs/dbraw/zinc/77/82/44/948778244.db2.gz RTDXVOVYLBPJJL-GHMZBOCLSA-N -1 1 392.414 1.931 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CCC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575223979 948778251 /nfs/dbraw/zinc/77/82/51/948778251.db2.gz RTDXVOVYLBPJJL-GHMZBOCLSA-N -1 1 392.414 1.931 20 0 GDADMM C[C@H](C(=O)N[C@]12CCC[C@H]1CN(c1nccnc1-c1nnn[n-]1)C2)C1CCC1 ZINC001573755782 948781751 /nfs/dbraw/zinc/78/17/51/948781751.db2.gz IBRJEMMENDCOAQ-PJFSTRORSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](C(=O)N[C@]12CCC[C@H]1CN(c1nccnc1-c1nn[n-]n1)C2)C1CCC1 ZINC001573755782 948781764 /nfs/dbraw/zinc/78/17/64/948781764.db2.gz IBRJEMMENDCOAQ-PJFSTRORSA-N -1 1 382.472 1.568 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001575224278 948782018 /nfs/dbraw/zinc/78/20/18/948782018.db2.gz LGTUPNGPDRVWPZ-NSHDSACASA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001575224278 948782031 /nfs/dbraw/zinc/78/20/31/948782031.db2.gz LGTUPNGPDRVWPZ-NSHDSACASA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001575224324 948782597 /nfs/dbraw/zinc/78/25/97/948782597.db2.gz TXVFIIHVRPJULO-QWRGUYRKSA-N -1 1 392.414 1.789 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001575224324 948782607 /nfs/dbraw/zinc/78/26/07/948782607.db2.gz TXVFIIHVRPJULO-QWRGUYRKSA-N -1 1 392.414 1.789 20 0 GDADMM CC(F)(F)C1(C(=O)NCC[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001575224434 948784630 /nfs/dbraw/zinc/78/46/30/948784630.db2.gz WFJGFNWHRCXTFM-NSHDSACASA-N -1 1 392.414 1.425 20 0 GDADMM CC(F)(F)C1(C(=O)NCC[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001575224434 948784635 /nfs/dbraw/zinc/78/46/35/948784635.db2.gz WFJGFNWHRCXTFM-NSHDSACASA-N -1 1 392.414 1.425 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@@H]2[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]32)c1 ZINC001574419881 948789964 /nfs/dbraw/zinc/78/99/64/948789964.db2.gz KYVQKWLIMKTDLH-ZSHCYNCHSA-N -1 1 390.451 1.645 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@@H]2[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]32)c1 ZINC001574419881 948789976 /nfs/dbraw/zinc/78/99/76/948789976.db2.gz KYVQKWLIMKTDLH-ZSHCYNCHSA-N -1 1 390.451 1.645 20 0 GDADMM C[C@H](C(=O)N[C@]12CCC[C@H]1CN(c1cnc(-c3nnn[n-]3)cn1)C2)C1CCC1 ZINC001573755948 948791091 /nfs/dbraw/zinc/79/10/91/948791091.db2.gz JPBQEWDZYHHLNY-PJFSTRORSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](C(=O)N[C@]12CCC[C@H]1CN(c1cnc(-c3nn[n-]n3)cn1)C2)C1CCC1 ZINC001573755948 948791108 /nfs/dbraw/zinc/79/11/08/948791108.db2.gz JPBQEWDZYHHLNY-PJFSTRORSA-N -1 1 382.472 1.568 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001575225081 948797395 /nfs/dbraw/zinc/79/73/95/948797395.db2.gz VUQMEOOVVKTZPI-LLVKDONJSA-N -1 1 378.387 1.177 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001575225081 948797419 /nfs/dbraw/zinc/79/74/19/948797419.db2.gz VUQMEOOVVKTZPI-LLVKDONJSA-N -1 1 378.387 1.177 20 0 GDADMM CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)NC1CCN(CC(=O)[O-])CC1 ZINC001589558980 948804015 /nfs/dbraw/zinc/80/40/15/948804015.db2.gz YMVDSDMAZXETDW-AWEZNQCLSA-N -1 1 397.497 1.087 20 0 GDADMM C[C@@H](CNC(=O)CCc1ccncc1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574917096 948804650 /nfs/dbraw/zinc/80/46/50/948804650.db2.gz QRNJVTTUILQNGB-VIFPVBQESA-N -1 1 392.876 1.921 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCCc1cccnc1 ZINC001574680902 948810025 /nfs/dbraw/zinc/81/00/25/948810025.db2.gz JVCVCIMJDISHLR-CYBMUJFWSA-N -1 1 381.444 1.381 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCCc1cccnc1 ZINC001574680902 948810040 /nfs/dbraw/zinc/81/00/40/948810040.db2.gz JVCVCIMJDISHLR-CYBMUJFWSA-N -1 1 381.444 1.381 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccc2c(c1)ncn2C ZINC001574680951 948812388 /nfs/dbraw/zinc/81/23/88/948812388.db2.gz KPGWASUXAFLYDF-NSHDSACASA-N -1 1 392.427 1.164 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccc2c(c1)ncn2C ZINC001574680951 948812403 /nfs/dbraw/zinc/81/24/03/948812403.db2.gz KPGWASUXAFLYDF-NSHDSACASA-N -1 1 392.427 1.164 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1nc(Cl)cs1 ZINC001574681717 948820122 /nfs/dbraw/zinc/82/01/22/948820122.db2.gz NFNYCJCUZKRWFP-ZETCQYMHSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1nc(Cl)cs1 ZINC001574681717 948820138 /nfs/dbraw/zinc/82/01/38/948820138.db2.gz NFNYCJCUZKRWFP-ZETCQYMHSA-N -1 1 379.837 1.387 20 0 GDADMM CC(C)c1ccoc1C(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574421752 948822883 /nfs/dbraw/zinc/82/28/83/948822883.db2.gz OAKFFYZHOQMRLZ-GFCCVEGCSA-N -1 1 382.428 1.724 20 0 GDADMM CC(F)(F)CC(=O)N1C[C@@H]2CCC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@H]2C1 ZINC001575226598 948822968 /nfs/dbraw/zinc/82/29/68/948822968.db2.gz NWRFFSXHRXTOQW-SDDRHHMPSA-N -1 1 392.414 1.741 20 0 GDADMM CC(F)(F)CC(=O)N1C[C@@H]2CCC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@H]2C1 ZINC001575226598 948822986 /nfs/dbraw/zinc/82/29/86/948822986.db2.gz NWRFFSXHRXTOQW-SDDRHHMPSA-N -1 1 392.414 1.741 20 0 GDADMM CC(C)c1ccoc1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001574422381 948835652 /nfs/dbraw/zinc/83/56/52/948835652.db2.gz ZYPJXLZBNVRAHP-DGCLKSJQSA-N -1 1 382.428 1.628 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)N[C@@H](C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001574683128 948839562 /nfs/dbraw/zinc/83/95/62/948839562.db2.gz UVKWDWBUVJRJLO-KGLIPLIRSA-N -1 1 380.456 1.842 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)N[C@@H](C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001574683128 948839577 /nfs/dbraw/zinc/83/95/77/948839577.db2.gz UVKWDWBUVJRJLO-KGLIPLIRSA-N -1 1 380.456 1.842 20 0 GDADMM CC(C)c1nc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)cs1 ZINC001574424046 948840819 /nfs/dbraw/zinc/84/08/19/948840819.db2.gz CDTQJVAZIPSLEQ-SNVBAGLBSA-N -1 1 385.457 1.245 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cc(Cl)cs1 ZINC001574683105 948841566 /nfs/dbraw/zinc/84/15/66/948841566.db2.gz UNVZDLAXMVAMAO-QMMMGPOBSA-N -1 1 378.849 1.992 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cc(Cl)cs1 ZINC001574683105 948841584 /nfs/dbraw/zinc/84/15/84/948841584.db2.gz UNVZDLAXMVAMAO-QMMMGPOBSA-N -1 1 378.849 1.992 20 0 GDADMM CC(C)c1nc(C(=O)N[C@H](C)[C@H](C)Nc2nccnc2-c2nnn[n-]2)cs1 ZINC001574424156 948845381 /nfs/dbraw/zinc/84/53/81/948845381.db2.gz GTEJQQLRCVGABD-VHSXEESVSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1nc(C(=O)N[C@H](C)[C@H](C)Nc2nccnc2-c2nn[n-]n2)cs1 ZINC001574424156 948845399 /nfs/dbraw/zinc/84/53/99/948845399.db2.gz GTEJQQLRCVGABD-VHSXEESVSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)(C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1)C1CCCC1 ZINC001573761952 948849593 /nfs/dbraw/zinc/84/95/93/948849593.db2.gz MYAWAYJQQAFDER-UHFFFAOYSA-N -1 1 388.476 1.106 20 0 GDADMM CC(C)(C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1)C1CCCC1 ZINC001573761952 948849610 /nfs/dbraw/zinc/84/96/10/948849610.db2.gz MYAWAYJQQAFDER-UHFFFAOYSA-N -1 1 388.476 1.106 20 0 GDADMM C[C@@H](CNC(=O)CCCc1cccnc1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574918593 948852672 /nfs/dbraw/zinc/85/26/72/948852672.db2.gz OKKXDWDFMSTINX-CYBMUJFWSA-N -1 1 381.444 1.239 20 0 GDADMM C[C@@H](CNC(=O)CCCc1cccnc1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574918593 948852681 /nfs/dbraw/zinc/85/26/81/948852681.db2.gz OKKXDWDFMSTINX-CYBMUJFWSA-N -1 1 381.444 1.239 20 0 GDADMM CC(C)c1cnc(Sc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)n1C1CC1 ZINC001574424914 948861730 /nfs/dbraw/zinc/86/17/30/948861730.db2.gz WJTQJPUFWPVHBI-UHFFFAOYSA-N -1 1 388.457 1.070 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H]2[C@@H](CCN2c2cncc(-c3nnn[n-]3)n2)C1)C(F)F ZINC001573763089 948864705 /nfs/dbraw/zinc/86/47/05/948864705.db2.gz AMTGRJMQBYNATJ-CMPLNLGQSA-N -1 1 392.414 1.375 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H]2[C@@H](CCN2c2cncc(-c3nn[n-]n3)n2)C1)C(F)F ZINC001573763089 948864726 /nfs/dbraw/zinc/86/47/26/948864726.db2.gz AMTGRJMQBYNATJ-CMPLNLGQSA-N -1 1 392.414 1.375 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)c1ccn(C)c1 ZINC001574684505 948873805 /nfs/dbraw/zinc/87/38/05/948873805.db2.gz HNFNZAVVDCGROM-MRVPVSSYSA-N -1 1 380.865 1.936 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)c1ccn(C)c1 ZINC001574684505 948873821 /nfs/dbraw/zinc/87/38/21/948873821.db2.gz HNFNZAVVDCGROM-MRVPVSSYSA-N -1 1 380.865 1.936 20 0 GDADMM CC(C)(C(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)C1CCCC1 ZINC001573763809 948876676 /nfs/dbraw/zinc/87/66/76/948876676.db2.gz IHFOFFGZCZCCJS-UHFFFAOYSA-N -1 1 384.488 1.698 20 0 GDADMM CC(C)(C(=O)N1CC[C@H]2[C@H](CCN2c2cnc(-c3nnn[n-]3)cn2)C1)C1CC1 ZINC001573764088 948887744 /nfs/dbraw/zinc/88/77/44/948887744.db2.gz LHFNIQXQHWAOFQ-DOMZBBRYSA-N -1 1 382.472 1.520 20 0 GDADMM CC(C)(C(=O)N1CC[C@H]2[C@H](CCN2c2cnc(-c3nn[n-]n3)cn2)C1)C1CC1 ZINC001573764088 948887764 /nfs/dbraw/zinc/88/77/64/948887764.db2.gz LHFNIQXQHWAOFQ-DOMZBBRYSA-N -1 1 382.472 1.520 20 0 GDADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)c1n[nH]cc1F ZINC001574684857 948893692 /nfs/dbraw/zinc/89/36/92/948893692.db2.gz NVWJDUMYPIVICL-YFKPBYRVSA-N -1 1 385.816 1.459 20 0 GDADMM CC(C)(C(=O)N1CCC[C@H]2[C@@H]1CCN2c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573764919 948893922 /nfs/dbraw/zinc/89/39/22/948893922.db2.gz RMZKSMUCBKQHAN-GJZGRUSLSA-N -1 1 382.472 1.663 20 0 GDADMM CC(C)(C(=O)N1CCC[C@H]2[C@@H]1CCN2c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573764919 948893928 /nfs/dbraw/zinc/89/39/28/948893928.db2.gz RMZKSMUCBKQHAN-GJZGRUSLSA-N -1 1 382.472 1.663 20 0 GDADMM CC(F)(F)CC(=O)N[C@]12CCC[C@H]1CN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001575234248 948895492 /nfs/dbraw/zinc/89/54/92/948895492.db2.gz AAVMDKRNAGKZHP-QFYYESIMSA-N -1 1 378.387 1.177 20 0 GDADMM CC(F)(F)CC(=O)N[C@]12CCC[C@H]1CN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001575234248 948895504 /nfs/dbraw/zinc/89/55/04/948895504.db2.gz AAVMDKRNAGKZHP-QFYYESIMSA-N -1 1 378.387 1.177 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)[C@@H]1CCCCO1 ZINC001574685044 948898964 /nfs/dbraw/zinc/89/89/64/948898964.db2.gz RRSMYUWYGLYUGY-BDAKNGLRSA-N -1 1 385.881 1.852 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)[C@@H]1CCCCO1 ZINC001574685044 948898978 /nfs/dbraw/zinc/89/89/78/948898978.db2.gz RRSMYUWYGLYUGY-BDAKNGLRSA-N -1 1 385.881 1.852 20 0 GDADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)c1cnccn1 ZINC001574685238 948902673 /nfs/dbraw/zinc/90/26/73/948902673.db2.gz UCCAOGQIIISLPW-SSDOTTSWSA-N -1 1 379.837 1.387 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)NCC1(C)CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574088040 948904835 /nfs/dbraw/zinc/90/48/35/948904835.db2.gz ABKZDEHIOGMTGK-KGLIPLIRSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)NCC1(C)CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574088040 948904846 /nfs/dbraw/zinc/90/48/46/948904846.db2.gz ABKZDEHIOGMTGK-KGLIPLIRSA-N -1 1 384.488 1.672 20 0 GDADMM CC(F)(F)CC(=O)NC[C@]1(C)CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575235039 948910600 /nfs/dbraw/zinc/91/06/00/948910600.db2.gz SLUZGQMYAQOIMA-HNNXBMFYSA-N -1 1 380.403 1.425 20 0 GDADMM CC(F)(F)CC(=O)NC[C@]1(C)CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575235039 948910616 /nfs/dbraw/zinc/91/06/16/948910616.db2.gz SLUZGQMYAQOIMA-HNNXBMFYSA-N -1 1 380.403 1.425 20 0 GDADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)C[C@H]1CCCO1 ZINC001574685659 948913646 /nfs/dbraw/zinc/91/36/46/948913646.db2.gz YOMOGAWZUDFUNB-DTWKUNHWSA-N -1 1 385.881 1.852 20 0 GDADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@H]1CCCCO1 ZINC001574685667 948915560 /nfs/dbraw/zinc/91/55/60/948915560.db2.gz YTPNCXUZFIRCBI-DTWKUNHWSA-N -1 1 385.881 1.852 20 0 GDADMM CC(C)c1ncc(Br)c(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)n1 ZINC001574428039 948921194 /nfs/dbraw/zinc/92/11/94/948921194.db2.gz YAFBGFUYBFWBJT-UHFFFAOYSA-N -1 1 378.194 1.518 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1)C(F)F ZINC001573771224 948936302 /nfs/dbraw/zinc/93/63/02/948936302.db2.gz DDUZJMMMGHIXNC-NXEZZACHSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1)C(F)F ZINC001573771224 948936313 /nfs/dbraw/zinc/93/63/13/948936313.db2.gz DDUZJMMMGHIXNC-NXEZZACHSA-N -1 1 380.403 1.645 20 0 GDADMM CC(F)(F)CCC(=O)NC[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575237825 948949199 /nfs/dbraw/zinc/94/91/99/948949199.db2.gz IAOVGUQQNOUCLS-LLVKDONJSA-N -1 1 380.403 1.425 20 0 GDADMM CC(F)(F)CCC(=O)NC[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575237825 948949213 /nfs/dbraw/zinc/94/92/13/948949213.db2.gz IAOVGUQQNOUCLS-LLVKDONJSA-N -1 1 380.403 1.425 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C12CCC2 ZINC001575237907 948951202 /nfs/dbraw/zinc/95/12/02/948951202.db2.gz IXSOXQXMMABDQS-NWDGAFQWSA-N -1 1 392.414 1.931 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C12CCC2 ZINC001575237907 948951216 /nfs/dbraw/zinc/95/12/16/948951216.db2.gz IXSOXQXMMABDQS-NWDGAFQWSA-N -1 1 392.414 1.931 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575238437 948953546 /nfs/dbraw/zinc/95/35/46/948953546.db2.gz NIIYVJRSXCKNHM-WDEREUQCSA-N -1 1 380.403 1.931 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575238437 948953556 /nfs/dbraw/zinc/95/35/56/948953556.db2.gz NIIYVJRSXCKNHM-WDEREUQCSA-N -1 1 380.403 1.931 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N[C@@H](C)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574433782 948963961 /nfs/dbraw/zinc/96/39/61/948963961.db2.gz QCYNDRAHQHSNQH-QWRGUYRKSA-N -1 1 384.448 1.133 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N[C@@H](C)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574433782 948963971 /nfs/dbraw/zinc/96/39/71/948963971.db2.gz QCYNDRAHQHSNQH-QWRGUYRKSA-N -1 1 384.448 1.133 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001574434195 948976711 /nfs/dbraw/zinc/97/67/11/948976711.db2.gz ZJVYSVKEQAJFON-UHFFFAOYSA-N -1 1 386.485 1.399 20 0 GDADMM CC(C)[C@@H]1C[C@H](C(=O)NCC=CCNc2nccnc2-c2nnn[n-]2)CCO1 ZINC001574090821 948998642 /nfs/dbraw/zinc/99/86/42/948998642.db2.gz JHQGYLSTVJOFFH-TYHIMRJMSA-N -1 1 386.460 1.192 20 0 GDADMM CC(C)[C@@H]1C[C@H](C(=O)NCC=CCNc2nccnc2-c2nn[n-]n2)CCO1 ZINC001574090821 948998653 /nfs/dbraw/zinc/99/86/53/948998653.db2.gz JHQGYLSTVJOFFH-TYHIMRJMSA-N -1 1 386.460 1.192 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@@H]1CCC(F)(F)C1 ZINC001574690484 949000201 /nfs/dbraw/zinc/00/02/01/949000201.db2.gz PEMXCFWSBMHMOV-QWRGUYRKSA-N -1 1 380.403 1.789 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@@H]1CCC(F)(F)C1 ZINC001574690484 949000220 /nfs/dbraw/zinc/00/02/20/949000220.db2.gz PEMXCFWSBMHMOV-QWRGUYRKSA-N -1 1 380.403 1.789 20 0 GDADMM CC(C)(C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CC1)c1cccnc1 ZINC001573774099 949000329 /nfs/dbraw/zinc/00/03/29/949000329.db2.gz KFOABTQNVZGIJP-UHFFFAOYSA-N -1 1 379.428 1.090 20 0 GDADMM CC(C)(C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CC1)c1cccnc1 ZINC001573774099 949000342 /nfs/dbraw/zinc/00/03/42/949000342.db2.gz KFOABTQNVZGIJP-UHFFFAOYSA-N -1 1 379.428 1.090 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)NCCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574091043 949000421 /nfs/dbraw/zinc/00/04/21/949000421.db2.gz MPJSWNIVPJXVMH-LSDHHAIUSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)NCCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574091043 949000441 /nfs/dbraw/zinc/00/04/41/949000441.db2.gz MPJSWNIVPJXVMH-LSDHHAIUSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)(C(=O)NC[C@@H](CO)Nc1cncc(-c2nnn[n-]2)n1)C1CCCCC1 ZINC001573774268 949003874 /nfs/dbraw/zinc/00/38/74/949003874.db2.gz LDTFQFVCRPNYQM-ZDUSSCGKSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)(C(=O)NC[C@@H](CO)Nc1cncc(-c2nn[n-]n2)n1)C1CCCCC1 ZINC001573774268 949003902 /nfs/dbraw/zinc/00/39/02/949003902.db2.gz LDTFQFVCRPNYQM-ZDUSSCGKSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)C1CCCCC1 ZINC001573774159 949004983 /nfs/dbraw/zinc/00/49/83/949004983.db2.gz RSMZBFYTJLHLIP-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)C1CCCCC1 ZINC001573774159 949005002 /nfs/dbraw/zinc/00/50/02/949005002.db2.gz RSMZBFYTJLHLIP-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)c1nnsc1C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574439451 949008186 /nfs/dbraw/zinc/00/81/86/949008186.db2.gz FAHZZPKWGXSVMO-KYZUINATSA-N -1 1 386.445 1.005 20 0 GDADMM CC(C)c1nnsc1C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574439451 949008201 /nfs/dbraw/zinc/00/82/01/949008201.db2.gz FAHZZPKWGXSVMO-KYZUINATSA-N -1 1 386.445 1.005 20 0 GDADMM CC(C)(C(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C1CCCC1 ZINC001573775070 949031748 /nfs/dbraw/zinc/03/17/48/949031748.db2.gz YQZOTFDUNBZMLO-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(F)F ZINC001573779033 949055436 /nfs/dbraw/zinc/05/54/36/949055436.db2.gz DBFJVRITVGAVSD-JTQLQIEISA-N -1 1 380.403 1.281 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(F)F ZINC001573779033 949055456 /nfs/dbraw/zinc/05/54/56/949055456.db2.gz DBFJVRITVGAVSD-JTQLQIEISA-N -1 1 380.403 1.281 20 0 GDADMM C[C@H](CN(C)C(=O)C(C)(C)c1ccccc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574694130 949067450 /nfs/dbraw/zinc/06/74/50/949067450.db2.gz LUIUKKXISIYZGA-CYBMUJFWSA-N -1 1 380.456 1.893 20 0 GDADMM C[C@H](CN(C)C(=O)C(C)(C)c1ccccc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574694130 949067467 /nfs/dbraw/zinc/06/74/67/949067467.db2.gz LUIUKKXISIYZGA-CYBMUJFWSA-N -1 1 380.456 1.893 20 0 GDADMM CC(C)c1occc1C(=O)N1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001574441677 949069447 /nfs/dbraw/zinc/06/94/47/949069447.db2.gz RZOPAKQRPPARPH-FZMZJTMJSA-N -1 1 382.428 1.946 20 0 GDADMM CC(C)c1occc1C(=O)N1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001574441677 949069466 /nfs/dbraw/zinc/06/94/66/949069466.db2.gz RZOPAKQRPPARPH-FZMZJTMJSA-N -1 1 382.428 1.946 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001574441888 949082759 /nfs/dbraw/zinc/08/27/59/949082759.db2.gz DSHZKYSKCUUJBY-GFCCVEGCSA-N -1 1 385.432 1.057 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CCC1 ZINC001573780275 949084139 /nfs/dbraw/zinc/08/41/39/949084139.db2.gz UZBJEJJNQKERSY-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CCC1 ZINC001573780275 949084154 /nfs/dbraw/zinc/08/41/54/949084154.db2.gz UZBJEJJNQKERSY-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1CCC1 ZINC001573780348 949091728 /nfs/dbraw/zinc/09/17/28/949091728.db2.gz WQDISWPLROSLNF-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1CCC1 ZINC001573780348 949091750 /nfs/dbraw/zinc/09/17/50/949091750.db2.gz WQDISWPLROSLNF-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)N1CCC(N(C)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574093048 949094239 /nfs/dbraw/zinc/09/42/39/949094239.db2.gz VXKYSAGPQSRPSY-AUUYWEPGSA-N -1 1 384.488 1.766 20 0 GDADMM C[C@H](CNC(=O)COCC1CC1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574929501 949096737 /nfs/dbraw/zinc/09/67/37/949096737.db2.gz FOODVIXEEJTPRY-MRVPVSSYSA-N -1 1 385.881 1.567 20 0 GDADMM C[C@H](CNC(=O)COCC1CC1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574929501 949096759 /nfs/dbraw/zinc/09/67/59/949096759.db2.gz FOODVIXEEJTPRY-MRVPVSSYSA-N -1 1 385.881 1.567 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H](C)NC(=O)C(C)(C)c1cccnc1 ZINC001575249418 949100300 /nfs/dbraw/zinc/10/03/00/949100300.db2.gz BRUAWZFDORQEDD-NEPJUHHUSA-N -1 1 381.444 1.335 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H](C)NC(=O)C(C)(C)c1cccnc1 ZINC001575249418 949100318 /nfs/dbraw/zinc/10/03/18/949100318.db2.gz BRUAWZFDORQEDD-NEPJUHHUSA-N -1 1 381.444 1.335 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001574443430 949108621 /nfs/dbraw/zinc/10/86/21/949108621.db2.gz YDROANIUSXSIRN-NSHDSACASA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001574443430 949108635 /nfs/dbraw/zinc/10/86/35/949108635.db2.gz YDROANIUSXSIRN-NSHDSACASA-N -1 1 383.416 1.167 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cnc(C2CC2)s1 ZINC001574695383 949108833 /nfs/dbraw/zinc/10/88/33/949108833.db2.gz GRXCXKDWAHYETR-VIFPVBQESA-N -1 1 385.457 1.611 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cnc(C2CC2)s1 ZINC001574695383 949108850 /nfs/dbraw/zinc/10/88/50/949108850.db2.gz GRXCXKDWAHYETR-VIFPVBQESA-N -1 1 385.457 1.611 20 0 GDADMM CC(C)(C(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001573781489 949109182 /nfs/dbraw/zinc/10/91/82/949109182.db2.gz HWKCNFCOAMPFPE-OTVXOJSOSA-N -1 1 392.467 1.941 20 0 GDADMM CC(C)(C(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001573781489 949109192 /nfs/dbraw/zinc/10/91/92/949109192.db2.gz HWKCNFCOAMPFPE-OTVXOJSOSA-N -1 1 392.467 1.941 20 0 GDADMM CC(C)(C(=O)NCCC1(CNc2cnc(-c3nnn[n-]3)cn2)CC1)C(F)F ZINC001573781645 949112015 /nfs/dbraw/zinc/11/20/15/949112015.db2.gz LVSVFAARYYFSED-UHFFFAOYSA-N -1 1 380.403 1.646 20 0 GDADMM CC(C)(C(=O)NCCC1(CNc2cnc(-c3nn[n-]n3)cn2)CC1)C(F)F ZINC001573781645 949112029 /nfs/dbraw/zinc/11/20/29/949112029.db2.gz LVSVFAARYYFSED-UHFFFAOYSA-N -1 1 380.403 1.646 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1)C1CC1 ZINC001573782040 949114287 /nfs/dbraw/zinc/11/42/87/949114287.db2.gz PFMZBPGXLKHTKB-CYBMUJFWSA-N -1 1 390.513 1.681 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)C1=COCCO1 ZINC001574695620 949114433 /nfs/dbraw/zinc/11/44/33/949114433.db2.gz JHHVRCLJWHJDJE-ZETCQYMHSA-N -1 1 385.837 1.172 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)C1=COCCO1 ZINC001574695620 949114450 /nfs/dbraw/zinc/11/44/50/949114450.db2.gz JHHVRCLJWHJDJE-ZETCQYMHSA-N -1 1 385.837 1.172 20 0 GDADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)C1(C(F)(F)F)CCC1 ZINC001575250915 949118404 /nfs/dbraw/zinc/11/84/04/949118404.db2.gz IRXDZQMBQSPENP-BDAKNGLRSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)C1(C(F)(F)F)CCC1 ZINC001575250915 949118411 /nfs/dbraw/zinc/11/84/11/949118411.db2.gz IRXDZQMBQSPENP-BDAKNGLRSA-N -1 1 384.366 1.694 20 0 GDADMM CC(C)c1occc1C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1 ZINC001574446075 949120529 /nfs/dbraw/zinc/12/05/29/949120529.db2.gz HRHRZKMZWBRSAA-RYUDHWBXSA-N -1 1 380.412 1.476 20 0 GDADMM CC(C)c1occc1C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1 ZINC001574446075 949120547 /nfs/dbraw/zinc/12/05/47/949120547.db2.gz HRHRZKMZWBRSAA-RYUDHWBXSA-N -1 1 380.412 1.476 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccc2c(c1)CCO2 ZINC001574696469 949133412 /nfs/dbraw/zinc/13/34/12/949133412.db2.gz RFEXTYBPCTZBCN-NSHDSACASA-N -1 1 380.412 1.212 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccc2c(c1)CCO2 ZINC001574696469 949133426 /nfs/dbraw/zinc/13/34/26/949133426.db2.gz RFEXTYBPCTZBCN-NSHDSACASA-N -1 1 380.412 1.212 20 0 GDADMM CC(C)c1occc1C(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574446775 949136517 /nfs/dbraw/zinc/13/65/17/949136517.db2.gz VTXSAKWWBIFVJY-BXUZGUMPSA-N -1 1 382.428 1.946 20 0 GDADMM CC(C)c1occc1C(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574446775 949136524 /nfs/dbraw/zinc/13/65/24/949136524.db2.gz VTXSAKWWBIFVJY-BXUZGUMPSA-N -1 1 382.428 1.946 20 0 GDADMM CC(C)c1ocnc1C(=O)N(C)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574446831 949142560 /nfs/dbraw/zinc/14/25/60/949142560.db2.gz XVZVMTMUJBXGKJ-NSHDSACASA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1ocnc1C(=O)N(C)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574446831 949142570 /nfs/dbraw/zinc/14/25/70/949142570.db2.gz XVZVMTMUJBXGKJ-NSHDSACASA-N -1 1 383.416 1.119 20 0 GDADMM C[C@@H](NC(=O)C1(c2ccccc2)CCC1)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575251665 949143751 /nfs/dbraw/zinc/14/37/51/949143751.db2.gz BVZNWDNJLZGTTP-UONOGXRCSA-N -1 1 392.467 1.506 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)NC1(CNc2cncc(-c3nnn[n-]3)n2)CCOCC1 ZINC001574094964 949145959 /nfs/dbraw/zinc/14/59/59/949145959.db2.gz WZIPZZHHNQGFQR-CHWSQXEVSA-N -1 1 386.460 1.026 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)NC1(CNc2cncc(-c3nn[n-]n3)n2)CCOCC1 ZINC001574094964 949145972 /nfs/dbraw/zinc/14/59/72/949145972.db2.gz WZIPZZHHNQGFQR-CHWSQXEVSA-N -1 1 386.460 1.026 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)N1CCC(CN(C)c2nccnc2-c2nnn[n-]2)CC1 ZINC001574095786 949154293 /nfs/dbraw/zinc/15/42/93/949154293.db2.gz YZYGHYKVJQAUAE-CABCVRRESA-N -1 1 384.488 1.624 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)N1CCC(CN(C)c2nccnc2-c2nn[n-]n2)CC1 ZINC001574095786 949154304 /nfs/dbraw/zinc/15/43/04/949154304.db2.gz YZYGHYKVJQAUAE-CABCVRRESA-N -1 1 384.488 1.624 20 0 GDADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)C1(C(F)F)CCCC1 ZINC001575252603 949166410 /nfs/dbraw/zinc/16/64/10/949166410.db2.gz QJGMKQZTZJVRKX-ZJUUUORDSA-N -1 1 380.403 1.209 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001574447592 949167684 /nfs/dbraw/zinc/16/76/84/949167684.db2.gz UCXVYXRLBBYVCS-LLVKDONJSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001574447592 949167693 /nfs/dbraw/zinc/16/76/93/949167693.db2.gz UCXVYXRLBBYVCS-LLVKDONJSA-N -1 1 383.416 1.167 20 0 GDADMM C[C@@H](CNC(=O)COc1ccccc1Cl)Nc1nccnc1-c1nnn[n-]1 ZINC001574934638 949169968 /nfs/dbraw/zinc/16/99/68/949169968.db2.gz MUSAKIBYKVRRLZ-JTQLQIEISA-N -1 1 388.819 1.306 20 0 GDADMM C[C@@H](CNC(=O)COc1ccccc1Cl)Nc1nccnc1-c1nn[n-]n1 ZINC001574934638 949169986 /nfs/dbraw/zinc/16/99/86/949169986.db2.gz MUSAKIBYKVRRLZ-JTQLQIEISA-N -1 1 388.819 1.306 20 0 GDADMM C[C@H](CNC(=O)COc1ccccc1Cl)Nc1nccnc1-c1nnn[n-]1 ZINC001574934639 949172119 /nfs/dbraw/zinc/17/21/19/949172119.db2.gz MUSAKIBYKVRRLZ-SNVBAGLBSA-N -1 1 388.819 1.306 20 0 GDADMM C[C@H](CNC(=O)COc1ccccc1Cl)Nc1nccnc1-c1nn[n-]n1 ZINC001574934639 949172124 /nfs/dbraw/zinc/17/21/24/949172124.db2.gz MUSAKIBYKVRRLZ-SNVBAGLBSA-N -1 1 388.819 1.306 20 0 GDADMM C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001602795762 971558568 /nfs/dbraw/zinc/55/85/68/971558568.db2.gz NTROBWLCEVQEDR-KEYDSSBGSA-N -1 1 379.413 1.795 20 0 GDADMM C[C@@H](CN(C)C(=O)C(C1CCC1)C1CCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574698290 949181831 /nfs/dbraw/zinc/18/18/31/949181831.db2.gz IUFZXWJKLQPHFT-LBPRGKRZSA-N -1 1 384.488 1.554 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H](F)CC1CCCCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574698295 949184777 /nfs/dbraw/zinc/18/47/77/949184777.db2.gz IWMIEIXOGNVPQF-GXTWGEPZSA-N -1 1 390.467 1.646 20 0 GDADMM C[C@H](NC(=O)C(C1CCC1)C1CCC1)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575253524 949189386 /nfs/dbraw/zinc/18/93/86/949189386.db2.gz UOXKBIPIWYCGIK-RYUDHWBXSA-N -1 1 384.488 1.600 20 0 GDADMM C[C@@H](NC(=O)C1(C(F)(F)F)CCC1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575253508 949190056 /nfs/dbraw/zinc/19/00/56/949190056.db2.gz UMIVDJTYDSOQPR-DTWKUNHWSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](NC(=O)C1(C(F)(F)F)CCC1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575253508 949190052 /nfs/dbraw/zinc/19/00/52/949190052.db2.gz UMIVDJTYDSOQPR-DTWKUNHWSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(Cl)s1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574935383 949200136 /nfs/dbraw/zinc/20/01/36/949200136.db2.gz BCLDYROKPOQTEF-VIFPVBQESA-N -1 1 392.876 1.779 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(Cl)s1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574935383 949200162 /nfs/dbraw/zinc/20/01/62/949200162.db2.gz BCLDYROKPOQTEF-VIFPVBQESA-N -1 1 392.876 1.779 20 0 GDADMM CC(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1cnc(-c2nnn[n-]2)cn1 ZINC001574102728 949205492 /nfs/dbraw/zinc/20/54/92/949205492.db2.gz ACYDQZSPFBOGSV-NHIYQJMISA-N -1 1 382.472 1.376 20 0 GDADMM CC(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1cnc(-c2nn[n-]n2)cn1 ZINC001574102728 949205509 /nfs/dbraw/zinc/20/55/09/949205509.db2.gz ACYDQZSPFBOGSV-NHIYQJMISA-N -1 1 382.472 1.376 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(F)c(F)c1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574936172 949209845 /nfs/dbraw/zinc/20/98/45/949209845.db2.gz HVIMFTVPRCCOSK-SNVBAGLBSA-N -1 1 388.382 1.119 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(F)c(F)c1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574936172 949209862 /nfs/dbraw/zinc/20/98/62/949209862.db2.gz HVIMFTVPRCCOSK-SNVBAGLBSA-N -1 1 388.382 1.119 20 0 GDADMM CC1(Nc2ccc(-c3nnn[n-]3)nn2)CCN(C(=O)Cc2cccnc2)CC1 ZINC001575853990 949223868 /nfs/dbraw/zinc/22/38/68/949223868.db2.gz PZJYCTAPTRTBRH-UHFFFAOYSA-N -1 1 379.428 1.087 20 0 GDADMM CC1(Nc2ccc(-c3nn[n-]n3)nn2)CCN(C(=O)Cc2cccnc2)CC1 ZINC001575853990 949223889 /nfs/dbraw/zinc/22/38/89/949223889.db2.gz PZJYCTAPTRTBRH-UHFFFAOYSA-N -1 1 379.428 1.087 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(Cl)cc1)CNc1nccnc1-c1nnn[n-]1 ZINC001574937273 949225253 /nfs/dbraw/zinc/22/52/53/949225253.db2.gz NQUKJNAASDZGMG-LLVKDONJSA-N -1 1 386.847 1.717 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(Cl)cc1)CNc1nccnc1-c1nn[n-]n1 ZINC001574937273 949225276 /nfs/dbraw/zinc/22/52/76/949225276.db2.gz NQUKJNAASDZGMG-LLVKDONJSA-N -1 1 386.847 1.717 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(Cl)cc1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574937645 949226095 /nfs/dbraw/zinc/22/60/95/949226095.db2.gz OZODPIFUXGRQTH-LLVKDONJSA-N -1 1 386.847 1.494 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(Cl)cc1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574937645 949226117 /nfs/dbraw/zinc/22/61/17/949226117.db2.gz OZODPIFUXGRQTH-LLVKDONJSA-N -1 1 386.847 1.494 20 0 GDADMM C[C@@H](CNC(=O)Cc1c(F)cccc1Cl)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574937717 949229352 /nfs/dbraw/zinc/22/93/52/949229352.db2.gz QBDNIQLDFCVJNH-VIFPVBQESA-N -1 1 390.810 1.609 20 0 GDADMM C[C@@H](CNC(=O)Cc1c(F)cccc1Cl)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574937717 949229369 /nfs/dbraw/zinc/22/93/69/949229369.db2.gz QBDNIQLDFCVJNH-VIFPVBQESA-N -1 1 390.810 1.609 20 0 GDADMM CC(C)c1scnc1C(=O)N(C)CCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574451353 949231355 /nfs/dbraw/zinc/23/13/55/949231355.db2.gz NUYQIBWHLCGMMH-UHFFFAOYSA-N -1 1 387.473 1.445 20 0 GDADMM CC(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1ccnc(-c2nn[n-]n2)n1 ZINC001574103281 949236641 /nfs/dbraw/zinc/23/66/41/949236641.db2.gz PJBDGZSEGKWJSD-YJNKXOJESA-N -1 1 382.472 1.376 20 0 GDADMM CC(C)(C)C(=O)N1CCC[C@@H]([C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001573792181 949238231 /nfs/dbraw/zinc/23/82/31/949238231.db2.gz MFVQVLUOFZMAKD-ZIAGYGMSSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)(C)C(=O)N1CCC[C@@H]([C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001573792181 949238254 /nfs/dbraw/zinc/23/82/54/949238254.db2.gz MFVQVLUOFZMAKD-ZIAGYGMSSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(Cl)s1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574938432 949240660 /nfs/dbraw/zinc/24/06/60/949240660.db2.gz VXJVCHWICGKKGH-SECBINFHSA-N -1 1 392.876 1.555 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(Cl)s1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574938432 949240686 /nfs/dbraw/zinc/24/06/86/949240686.db2.gz VXJVCHWICGKKGH-SECBINFHSA-N -1 1 392.876 1.555 20 0 GDADMM CC(C)(C)C(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1c1cncc(-c2nnn[n-]2)n1 ZINC001573792308 949244073 /nfs/dbraw/zinc/24/40/73/949244073.db2.gz NJJFROZXIWPKAP-XFMPKHEZSA-N -1 1 382.472 1.376 20 0 GDADMM CC(C)(C)C(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1c1cncc(-c2nn[n-]n2)n1 ZINC001573792308 949244095 /nfs/dbraw/zinc/24/40/95/949244095.db2.gz NJJFROZXIWPKAP-XFMPKHEZSA-N -1 1 382.472 1.376 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(Cl)cc1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574938653 949248909 /nfs/dbraw/zinc/24/89/09/949248909.db2.gz YDZAWJJOSPZSQH-NSHDSACASA-N -1 1 386.847 1.717 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(Cl)cc1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574938653 949248927 /nfs/dbraw/zinc/24/89/27/949248927.db2.gz YDZAWJJOSPZSQH-NSHDSACASA-N -1 1 386.847 1.717 20 0 GDADMM CC(C)n1cc(C(=O)N2CCC(Nc3nccnc3-c3nnn[n-]3)CC2)cn1 ZINC001574451995 949254186 /nfs/dbraw/zinc/25/41/86/949254186.db2.gz DKBHMYTYBMJTIO-UHFFFAOYSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1cc(C(=O)N2CCC(Nc3nccnc3-c3nn[n-]n3)CC2)cn1 ZINC001574451995 949254209 /nfs/dbraw/zinc/25/42/09/949254209.db2.gz DKBHMYTYBMJTIO-UHFFFAOYSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)(C)C(=O)C(=O)N1CCCC[C@@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001573792558 949254389 /nfs/dbraw/zinc/25/43/89/949254389.db2.gz ALMUSTAJOVIZHT-GFCCVEGCSA-N -1 1 386.460 1.455 20 0 GDADMM CC(C)(C)C(=O)C(=O)N1CCCC[C@@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001573792558 949254409 /nfs/dbraw/zinc/25/44/09/949254409.db2.gz ALMUSTAJOVIZHT-GFCCVEGCSA-N -1 1 386.460 1.455 20 0 GDADMM CC(C)n1cc(C(=O)N2CCC[C@H]2CNc2cncc(-c3nnn[n-]3)n2)cn1 ZINC001574452499 949263403 /nfs/dbraw/zinc/26/34/03/949263403.db2.gz LGCZHPNXKZWFDW-ZDUSSCGKSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1cc(C(=O)N2CCC[C@H]2CNc2cncc(-c3nn[n-]n3)n2)cn1 ZINC001574452499 949263423 /nfs/dbraw/zinc/26/34/23/949263423.db2.gz LGCZHPNXKZWFDW-ZDUSSCGKSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@@H]1CCC[C@]1(C)C(=O)NCC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001576152862 949266647 /nfs/dbraw/zinc/26/66/47/949266647.db2.gz KCWFVVNKDZMUBN-YJYMSZOUSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H]1CCC[C@]1(C)C(=O)NCC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001576152862 949266668 /nfs/dbraw/zinc/26/66/68/949266668.db2.gz KCWFVVNKDZMUBN-YJYMSZOUSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C)C(=O)N1CCC[C@@H]([C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001573792787 949269378 /nfs/dbraw/zinc/26/93/78/949269378.db2.gz VKKAYOZJJDXZOF-KGLIPLIRSA-N -1 1 384.488 1.768 20 0 GDADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)[C@H]2CCC(F)(F)C2)CC1 ZINC001575857561 949273199 /nfs/dbraw/zinc/27/31/99/949273199.db2.gz SSBJEFZVNBQJBZ-NSHDSACASA-N -1 1 392.414 1.885 20 0 GDADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)[C@H]2CCC(F)(F)C2)CC1 ZINC001575857561 949273223 /nfs/dbraw/zinc/27/32/23/949273223.db2.gz SSBJEFZVNBQJBZ-NSHDSACASA-N -1 1 392.414 1.885 20 0 GDADMM C[C@H]1CCC[C@@H](OCC(=O)N[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001576153344 949285374 /nfs/dbraw/zinc/28/53/74/949285374.db2.gz LYGWFVXQFDKVPR-XDQVBPFNSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@H]1CCC[C@@H](OCC(=O)N[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001576153344 949285394 /nfs/dbraw/zinc/28/53/94/949285394.db2.gz LYGWFVXQFDKVPR-XDQVBPFNSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H](CN(C)C(=O)C1(C(F)F)CCCC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574702847 949297449 /nfs/dbraw/zinc/29/74/49/949297449.db2.gz MUGVXNSMCCJEQF-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CN(C)C(=O)C1(C(F)F)CCCC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574702847 949297473 /nfs/dbraw/zinc/29/74/73/949297473.db2.gz MUGVXNSMCCJEQF-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)CC(=O)N1CCC[C@@H]([C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001574108966 949307601 /nfs/dbraw/zinc/30/76/01/949307601.db2.gz SSASKZQMKARHHJ-CABCVRRESA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)n1cc(C(C)(C)NC(=O)NCc2nc(-c3nnn[n-]3)cs2)nn1 ZINC001574455784 949309047 /nfs/dbraw/zinc/30/90/47/949309047.db2.gz YJKBHQBDYUBCSN-UHFFFAOYSA-N -1 1 376.450 1.230 20 0 GDADMM CC(C)n1cc(C(C)(C)NC(=O)NCc2nc(-c3nn[n-]n3)cs2)nn1 ZINC001574455784 949309068 /nfs/dbraw/zinc/30/90/68/949309068.db2.gz YJKBHQBDYUBCSN-UHFFFAOYSA-N -1 1 376.450 1.230 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(C2CC2)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574941938 949325126 /nfs/dbraw/zinc/32/51/26/949325126.db2.gz VEWUZTZYZSXQFV-GFCCVEGCSA-N -1 1 378.440 1.693 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(C2CC2)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574941938 949325145 /nfs/dbraw/zinc/32/51/45/949325145.db2.gz VEWUZTZYZSXQFV-GFCCVEGCSA-N -1 1 378.440 1.693 20 0 GDADMM CC1=C(C)C[C@H](C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)CC1 ZINC001575862100 949338345 /nfs/dbraw/zinc/33/83/45/949338345.db2.gz XFWUFLAZPGXKBV-WVZRYYJFSA-N -1 1 380.456 1.344 20 0 GDADMM CC1=C(C)C[C@H](C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]32)CC1 ZINC001575862100 949338368 /nfs/dbraw/zinc/33/83/68/949338368.db2.gz XFWUFLAZPGXKBV-WVZRYYJFSA-N -1 1 380.456 1.344 20 0 GDADMM CC(C)n1ccc(C(=O)NC[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001574458654 949348191 /nfs/dbraw/zinc/34/81/91/949348191.db2.gz WJSCEGBYCZVATC-HAQNSBGRSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1ccc(C(=O)NC[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001574458654 949348214 /nfs/dbraw/zinc/34/82/14/949348214.db2.gz WJSCEGBYCZVATC-HAQNSBGRSA-N -1 1 382.432 1.055 20 0 GDADMM CC1=CC[C@@](C)(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575864271 949358380 /nfs/dbraw/zinc/35/83/80/949358380.db2.gz HBNRDGBPBOKRKI-IFXJQAMLSA-N -1 1 382.472 1.878 20 0 GDADMM C[C@H](NC(=O)CC(C)(F)F)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575263145 949387115 /nfs/dbraw/zinc/38/71/15/949387115.db2.gz FBKIXSQVKXYHSD-QWRGUYRKSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H](NC(=O)CC(C)(F)F)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575263145 949387133 /nfs/dbraw/zinc/38/71/33/949387133.db2.gz FBKIXSQVKXYHSD-QWRGUYRKSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cocn1 ZINC001576155352 949401305 /nfs/dbraw/zinc/40/13/05/949401305.db2.gz ILJRZWQBWJYUSF-APPDUMDISA-N -1 1 383.416 1.436 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cocn1 ZINC001576155352 949401315 /nfs/dbraw/zinc/40/13/15/949401315.db2.gz ILJRZWQBWJYUSF-APPDUMDISA-N -1 1 383.416 1.436 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574464561 949415754 /nfs/dbraw/zinc/41/57/54/949415754.db2.gz LUJQUIQGEKNHTG-ZDUSSCGKSA-N -1 1 381.444 1.295 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574464561 949415770 /nfs/dbraw/zinc/41/57/70/949415770.db2.gz LUJQUIQGEKNHTG-ZDUSSCGKSA-N -1 1 381.444 1.295 20 0 GDADMM C[C@@H]1CCC[C@@]1(C)C(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001576155925 949422625 /nfs/dbraw/zinc/42/26/25/949422625.db2.gz WDERUYLMMYVNPG-VYGYDYRJSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H]1CCC[C@@]1(C)C(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001576155925 949422634 /nfs/dbraw/zinc/42/26/34/949422634.db2.gz WDERUYLMMYVNPG-VYGYDYRJSA-N -1 1 382.472 1.378 20 0 GDADMM CC1(C(=O)N2C[C@@H]3CCC[C@@H](Nc4cncc(-c5nnn[n-]5)n4)[C@H]3C2)CCC1 ZINC001575534124 949423099 /nfs/dbraw/zinc/42/30/99/949423099.db2.gz JYHSWDFLBWQAMQ-MELADBBJSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(C(=O)N2C[C@@H]3CCC[C@@H](Nc4cncc(-c5nn[n-]n5)n4)[C@H]3C2)CCC1 ZINC001575534124 949423111 /nfs/dbraw/zinc/42/31/11/949423111.db2.gz JYHSWDFLBWQAMQ-MELADBBJSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1CCCC(F)(F)C1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574705625 949433217 /nfs/dbraw/zinc/43/32/17/949433217.db2.gz JILCECJOXKHMRR-QWRGUYRKSA-N -1 1 380.403 1.163 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2(C)CC(F)(F)C2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575867271 949433383 /nfs/dbraw/zinc/43/33/83/949433383.db2.gz IVKJMXKTBZUASX-MNOVXSKESA-N -1 1 392.414 1.566 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2(C)CC(F)(F)C2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575867271 949433403 /nfs/dbraw/zinc/43/34/03/949433403.db2.gz IVKJMXKTBZUASX-MNOVXSKESA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2(C)CC(F)(F)C2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575867273 949435669 /nfs/dbraw/zinc/43/56/69/949435669.db2.gz IVKJMXKTBZUASX-QWRGUYRKSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2(C)CC(F)(F)C2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575867273 949435679 /nfs/dbraw/zinc/43/56/79/949435679.db2.gz IVKJMXKTBZUASX-QWRGUYRKSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@@H](CNC(=O)Cc1csc(C2CC2)n1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574946647 949440589 /nfs/dbraw/zinc/44/05/89/949440589.db2.gz WZIFGUODJQQOMP-VIFPVBQESA-N -1 1 385.457 1.150 20 0 GDADMM C[C@@H](CNC(=O)Cc1csc(C2CC2)n1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574946647 949440601 /nfs/dbraw/zinc/44/06/01/949440601.db2.gz WZIFGUODJQQOMP-VIFPVBQESA-N -1 1 385.457 1.150 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574465650 949444291 /nfs/dbraw/zinc/44/42/91/949444291.db2.gz URYNXOWSUNTQGD-CYBMUJFWSA-N -1 1 381.444 1.295 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574465650 949444313 /nfs/dbraw/zinc/44/43/13/949444313.db2.gz URYNXOWSUNTQGD-CYBMUJFWSA-N -1 1 381.444 1.295 20 0 GDADMM CC(C)CC(=O)N[C@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C[C@H]1O ZINC001574117499 949474291 /nfs/dbraw/zinc/47/42/91/949474291.db2.gz VXKNCJXZXGJBBK-DTWKUNHWSA-N -1 1 385.881 1.079 20 0 GDADMM CC(C)CC(=O)N[C@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C[C@H]1O ZINC001574117499 949474302 /nfs/dbraw/zinc/47/43/02/949474302.db2.gz VXKNCJXZXGJBBK-DTWKUNHWSA-N -1 1 385.881 1.079 20 0 GDADMM CC(C)n1nccc1C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574469918 949484677 /nfs/dbraw/zinc/48/46/77/949484677.db2.gz JRJOPLVGAKNDFP-HAQNSBGRSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1nccc1C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574469918 949484689 /nfs/dbraw/zinc/48/46/89/949484689.db2.gz JRJOPLVGAKNDFP-HAQNSBGRSA-N -1 1 382.432 1.055 20 0 GDADMM CC1(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)CCC(F)(F)CC1 ZINC001575537401 949493145 /nfs/dbraw/zinc/49/31/45/949493145.db2.gz UKUKSVGALBNYLK-LLVKDONJSA-N -1 1 392.414 1.885 20 0 GDADMM CC1(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)CCC(F)(F)CC1 ZINC001575537401 949493159 /nfs/dbraw/zinc/49/31/59/949493159.db2.gz UKUKSVGALBNYLK-LLVKDONJSA-N -1 1 392.414 1.885 20 0 GDADMM CC(C)CC(=O)NC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCC1(F)F ZINC001574119951 949502097 /nfs/dbraw/zinc/50/20/97/949502097.db2.gz LSEDSZYSQXWFLQ-NSHDSACASA-N -1 1 380.403 1.281 20 0 GDADMM CC(C)CC(=O)NC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCC1(F)F ZINC001574119951 949502116 /nfs/dbraw/zinc/50/21/16/949502116.db2.gz LSEDSZYSQXWFLQ-NSHDSACASA-N -1 1 380.403 1.281 20 0 GDADMM C[C@@H]1CCC[C@@H]1CC(=O)N1CCC(N(C)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576158838 949506219 /nfs/dbraw/zinc/50/62/19/949506219.db2.gz VAJSFDIWFRFIDY-ZIAGYGMSSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](CNC(=O)[C@@H](C)Cc1ccccc1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574949797 949508800 /nfs/dbraw/zinc/50/88/00/949508800.db2.gz DKAPOZXINWOTGS-KGLIPLIRSA-N -1 1 380.456 1.700 20 0 GDADMM C[C@@H](CNC(=O)[C@@H](C)Cc1ccccc1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574949797 949508817 /nfs/dbraw/zinc/50/88/17/949508817.db2.gz DKAPOZXINWOTGS-KGLIPLIRSA-N -1 1 380.456 1.700 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cnco1 ZINC001576159070 949516162 /nfs/dbraw/zinc/51/61/62/949516162.db2.gz WCMRJNXBMQMENU-PIGZYNQJSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cnco1 ZINC001576159070 949516182 /nfs/dbraw/zinc/51/61/82/949516182.db2.gz WCMRJNXBMQMENU-PIGZYNQJSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@@]1(C(=O)N2CCC[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)CCCOC1 ZINC001575538409 949523639 /nfs/dbraw/zinc/52/36/39/949523639.db2.gz GWVDDVFWMPMXDT-SCLBCKFNSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@@]1(C(=O)N2CCC[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)CCCOC1 ZINC001575538409 949523649 /nfs/dbraw/zinc/52/36/49/949523649.db2.gz GWVDDVFWMPMXDT-SCLBCKFNSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@H]1CCCC[C@@H]1OCC(=O)NCCCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001576163576 949537420 /nfs/dbraw/zinc/53/74/20/949537420.db2.gz CCCHSLHSABVOSU-KBPBESRZSA-N -1 1 388.476 1.195 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1CCc2cccnc21)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574711542 949543533 /nfs/dbraw/zinc/54/35/33/949543533.db2.gz IVFCJUZLNNBRCQ-WCQYABFASA-N -1 1 379.428 1.041 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1CCc2cccnc21)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574711542 949543546 /nfs/dbraw/zinc/54/35/46/949543546.db2.gz IVFCJUZLNNBRCQ-WCQYABFASA-N -1 1 379.428 1.041 20 0 GDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](C)NC(=O)CC1(C(F)(F)F)CC1 ZINC001575269251 949547072 /nfs/dbraw/zinc/54/70/72/949547072.db2.gz SNERWRPYLXDORH-BDAKNGLRSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](C)NC(=O)CC1(C(F)(F)F)CC1 ZINC001575269251 949547086 /nfs/dbraw/zinc/54/70/86/949547086.db2.gz SNERWRPYLXDORH-BDAKNGLRSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CC2CC(C)(C)C2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575872529 949548711 /nfs/dbraw/zinc/54/87/11/949548711.db2.gz JLDZFRVHGHCIEM-OCCSQVGLSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CC2CC(C)(C)C2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575872529 949548723 /nfs/dbraw/zinc/54/87/23/949548723.db2.gz JLDZFRVHGHCIEM-OCCSQVGLSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC(F)(F)F)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576164203 949549145 /nfs/dbraw/zinc/54/91/45/949549145.db2.gz FBEAZFRGTNDNQT-NXEZZACHSA-N -1 1 384.366 1.070 20 0 GDADMM CC(C)CC(=O)NCc1ccc(CCNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001574123380 949553966 /nfs/dbraw/zinc/55/39/66/949553966.db2.gz WKMLWLUYXRHGNJ-UHFFFAOYSA-N -1 1 380.456 1.974 20 0 GDADMM CC(C)CC(=O)NCc1ccc(CCNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001574123380 949553976 /nfs/dbraw/zinc/55/39/76/949553976.db2.gz WKMLWLUYXRHGNJ-UHFFFAOYSA-N -1 1 380.456 1.974 20 0 GDADMM C[C@H]1[C@H](NC(=O)CCC(C)(F)F)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575873165 949570207 /nfs/dbraw/zinc/57/02/07/949570207.db2.gz NYHHFZXWMUXKHZ-WDEREUQCSA-N -1 1 380.403 1.566 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2=CCOCC2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576165908 949574549 /nfs/dbraw/zinc/57/45/49/949574549.db2.gz KKOQBPLTJJORMP-DOMZBBRYSA-N -1 1 384.444 1.042 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2=CCOCC2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576165908 949574554 /nfs/dbraw/zinc/57/45/54/949574554.db2.gz KKOQBPLTJJORMP-DOMZBBRYSA-N -1 1 384.444 1.042 20 0 GDADMM C[C@H](CC(=O)N(C)CCCN(C)c1cnc(-c2nnn[n-]2)cn1)n1cccc1 ZINC001574475982 949581175 /nfs/dbraw/zinc/58/11/75/949581175.db2.gz DTPHZBMFKMTFGL-CQSZACIVSA-N -1 1 383.460 1.394 20 0 GDADMM C[C@H](CC(=O)N(C)CCCN(C)c1cnc(-c2nn[n-]n2)cn1)n1cccc1 ZINC001574475982 949581184 /nfs/dbraw/zinc/58/11/84/949581184.db2.gz DTPHZBMFKMTFGL-CQSZACIVSA-N -1 1 383.460 1.394 20 0 GDADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)CC1(c2ccccc2)CC1 ZINC001575270230 949582135 /nfs/dbraw/zinc/58/21/35/949582135.db2.gz YWFPFDDYSUMKBI-KGLIPLIRSA-N -1 1 392.467 1.506 20 0 GDADMM CC(C)C[C@H](C(=O)NCc1ccc(-c2nn[n-]n2)s1)N1CCCCC1=O ZINC001574125230 949586331 /nfs/dbraw/zinc/58/63/31/949586331.db2.gz ONNBXNSEUHJHIE-CYBMUJFWSA-N -1 1 376.486 1.972 20 0 GDADMM C[C@H]1CCCN(C(=O)C2CCOCC2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576166693 949589496 /nfs/dbraw/zinc/58/94/96/949589496.db2.gz NQDYFLZIUCJCLL-WFASDCNBSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H]1CCCN(C(=O)C2CCOCC2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576166693 949589512 /nfs/dbraw/zinc/58/95/12/949589512.db2.gz NQDYFLZIUCJCLL-WFASDCNBSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H]1CCCC[C@@H]1CC(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001576166788 949594999 /nfs/dbraw/zinc/59/49/99/949594999.db2.gz AHNHRBQTYLXZRH-UONOGXRCSA-N -1 1 388.476 1.106 20 0 GDADMM C[C@H]1CCCC[C@@H]1CC(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001576166788 949595012 /nfs/dbraw/zinc/59/50/12/949595012.db2.gz AHNHRBQTYLXZRH-UONOGXRCSA-N -1 1 388.476 1.106 20 0 GDADMM C[C@H](CC(=O)N(C)CCN(C)c1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001574476546 949606334 /nfs/dbraw/zinc/60/63/34/949606334.db2.gz HUZJQDKIBGXGDB-CQSZACIVSA-N -1 1 380.456 1.745 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)Cc2ccccc2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575874393 949613224 /nfs/dbraw/zinc/61/32/24/949613224.db2.gz GGYRLQGHAXWSKZ-HIFRSBDPSA-N -1 1 378.440 1.373 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)Cc2ccccc2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575874393 949613235 /nfs/dbraw/zinc/61/32/35/949613235.db2.gz GGYRLQGHAXWSKZ-HIFRSBDPSA-N -1 1 378.440 1.373 20 0 GDADMM C[C@@]1(C(=O)N2CCCCC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CCOC1 ZINC001575546931 949618751 /nfs/dbraw/zinc/61/87/51/949618751.db2.gz SWNDPKDNJAPBBZ-SCLBCKFNSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@@]1(C(=O)N2CCCCC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CCOC1 ZINC001575546931 949618769 /nfs/dbraw/zinc/61/87/69/949618769.db2.gz SWNDPKDNJAPBBZ-SCLBCKFNSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@@H]1CCCN(C(=O)Cc2ccccc2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576167989 949620819 /nfs/dbraw/zinc/62/08/19/949620819.db2.gz AZPDSHZLVILFFX-ZBFHGGJFSA-N -1 1 392.467 1.360 20 0 GDADMM C[C@H]1[C@H](NC(=O)CCc2ccco2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575874836 949622863 /nfs/dbraw/zinc/62/28/63/949622863.db2.gz HIPQQBPSFFLQRT-GXTWGEPZSA-N -1 1 382.428 1.356 20 0 GDADMM C[C@H]1[C@H](NC(=O)CCc2ccco2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575874836 949622879 /nfs/dbraw/zinc/62/28/79/949622879.db2.gz HIPQQBPSFFLQRT-GXTWGEPZSA-N -1 1 382.428 1.356 20 0 GDADMM C[C@@H]1CCCC[C@H]1OCC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576168435 949634891 /nfs/dbraw/zinc/63/48/91/949634891.db2.gz ULVYCIZJNOCQIC-RGCMKSIDSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H]1CCCC[C@H]1OCC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576168435 949634902 /nfs/dbraw/zinc/63/49/02/949634902.db2.gz ULVYCIZJNOCQIC-RGCMKSIDSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)Cc2ccccc2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575876284 949645446 /nfs/dbraw/zinc/64/54/46/949645446.db2.gz JSSSDSMZLOPRGT-HIFRSBDPSA-N -1 1 378.440 1.373 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)Cc2ccccc2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575876284 949645452 /nfs/dbraw/zinc/64/54/52/949645452.db2.gz JSSSDSMZLOPRGT-HIFRSBDPSA-N -1 1 378.440 1.373 20 0 GDADMM C[C@H]1[C@@H](NC(=O)Cc2ccccc2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575876288 949647802 /nfs/dbraw/zinc/64/78/02/949647802.db2.gz JSSSDSMZLOPRGT-ZFWWWQNUSA-N -1 1 378.440 1.373 20 0 GDADMM C[C@H]1[C@@H](NC(=O)Cc2ccccc2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575876288 949647814 /nfs/dbraw/zinc/64/78/14/949647814.db2.gz JSSSDSMZLOPRGT-ZFWWWQNUSA-N -1 1 378.440 1.373 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CC2CC(C)(C)C2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575876865 949652476 /nfs/dbraw/zinc/65/24/76/949652476.db2.gz YSQWPEZJJYFITF-TZMCWYRMSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CC2CC(C)(C)C2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575876865 949652493 /nfs/dbraw/zinc/65/24/93/949652493.db2.gz YSQWPEZJJYFITF-TZMCWYRMSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@@H](NC(=O)CCCc1ccccn1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575273620 949667531 /nfs/dbraw/zinc/66/75/31/949667531.db2.gz XOEPBKGQWQLTGF-OLZOCXBDSA-N -1 1 381.444 1.380 20 0 GDADMM C[C@@H](NC(=O)CCCc1ccccn1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575273620 949667541 /nfs/dbraw/zinc/66/75/41/949667541.db2.gz XOEPBKGQWQLTGF-OLZOCXBDSA-N -1 1 381.444 1.380 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCC1(F)F ZINC001573816154 949672150 /nfs/dbraw/zinc/67/21/50/949672150.db2.gz PEEZQESALNTYTJ-NXEZZACHSA-N -1 1 380.403 1.067 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H](C)NC(=O)CCCC1CCOCC1 ZINC001575273777 949674180 /nfs/dbraw/zinc/67/41/80/949674180.db2.gz XZAFOBYNUMBFBG-QWHCGFSZSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H](C)NC(=O)CCCC1CCOCC1 ZINC001575273777 949674198 /nfs/dbraw/zinc/67/41/98/949674198.db2.gz XZAFOBYNUMBFBG-QWHCGFSZSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@@H]1CCCC[C@H]1CC(=O)NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001576169326 949676298 /nfs/dbraw/zinc/67/62/98/949676298.db2.gz JGRXBXUHPBRNKB-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCCC[C@H]1CC(=O)NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001576169326 949676311 /nfs/dbraw/zinc/67/63/11/949676311.db2.gz JGRXBXUHPBRNKB-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1[C@H](NC(=O)COC2CCCC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575878768 949678542 /nfs/dbraw/zinc/67/85/42/949678542.db2.gz OXXCHJVZJXSTLN-TZMCWYRMSA-N -1 1 386.460 1.089 20 0 GDADMM C[C@@H]1[C@H](NC(=O)COC2CCCC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575878768 949678552 /nfs/dbraw/zinc/67/85/52/949678552.db2.gz OXXCHJVZJXSTLN-TZMCWYRMSA-N -1 1 386.460 1.089 20 0 GDADMM CC1(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CCC(F)(F)CC1 ZINC001575552875 949681822 /nfs/dbraw/zinc/68/18/22/949681822.db2.gz KJYZBRBVGAIUKK-NSHDSACASA-N -1 1 392.414 1.885 20 0 GDADMM CC1(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CCC(F)(F)CC1 ZINC001575552875 949681838 /nfs/dbraw/zinc/68/18/38/949681838.db2.gz KJYZBRBVGAIUKK-NSHDSACASA-N -1 1 392.414 1.885 20 0 GDADMM CC(C)CC(C)(C)C(=O)NCC1=CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574132300 949689632 /nfs/dbraw/zinc/68/96/32/949689632.db2.gz VFEOONAULUAYGG-UHFFFAOYSA-N -1 1 384.488 1.982 20 0 GDADMM CC1(C(=O)N2C[C@@H](C(F)(F)F)[C@H](Nc3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001575553712 949692430 /nfs/dbraw/zinc/69/24/30/949692430.db2.gz OYJMGQFGXGFOTQ-RKDXNWHRSA-N -1 1 382.350 1.258 20 0 GDADMM CC1(C(=O)N2C[C@@H](C(F)(F)F)[C@H](Nc3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001575553712 949692436 /nfs/dbraw/zinc/69/24/36/949692436.db2.gz OYJMGQFGXGFOTQ-RKDXNWHRSA-N -1 1 382.350 1.258 20 0 GDADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)CCc1ccccc1F ZINC001575276163 949711631 /nfs/dbraw/zinc/71/16/31/949711631.db2.gz HGIZUSJLLRDELQ-NEPJUHHUSA-N -1 1 384.419 1.156 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574959762 949715800 /nfs/dbraw/zinc/71/58/00/949715800.db2.gz SQXGTAHOXDUEGK-VHDGCEQUSA-N -1 1 378.440 1.401 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574959762 949715820 /nfs/dbraw/zinc/71/58/20/949715820.db2.gz SQXGTAHOXDUEGK-VHDGCEQUSA-N -1 1 378.440 1.401 20 0 GDADMM CC1(C(=O)N[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C2CC2)CCCCCC1 ZINC001575557289 949717286 /nfs/dbraw/zinc/71/72/86/949717286.db2.gz GJBGEGRCNIXXMP-CQSZACIVSA-N -1 1 384.488 1.746 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C1(C)CCOCC1 ZINC001575557616 949721168 /nfs/dbraw/zinc/72/11/68/949721168.db2.gz JSQVLZNPHLXBFU-CYBMUJFWSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C1(C)CCOCC1 ZINC001575557616 949721179 /nfs/dbraw/zinc/72/11/79/949721179.db2.gz JSQVLZNPHLXBFU-CYBMUJFWSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccsc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574960355 949725366 /nfs/dbraw/zinc/72/53/66/949725366.db2.gz WPJCRVDKFNDGNJ-WCFLWFBJSA-N -1 1 384.469 1.463 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccsc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574960355 949725385 /nfs/dbraw/zinc/72/53/85/949725385.db2.gz WPJCRVDKFNDGNJ-WCFLWFBJSA-N -1 1 384.469 1.463 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)Cc1cscn1 ZINC001573818279 949725944 /nfs/dbraw/zinc/72/59/44/949725944.db2.gz JRJCXDIGEAXJMF-GFCCVEGCSA-N -1 1 387.473 1.299 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)Cc1cscn1 ZINC001573818279 949725965 /nfs/dbraw/zinc/72/59/65/949725965.db2.gz JRJCXDIGEAXJMF-GFCCVEGCSA-N -1 1 387.473 1.299 20 0 GDADMM C[C@@H]1CCCC[C@H]1CC(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576170595 949728016 /nfs/dbraw/zinc/72/80/16/949728016.db2.gz MCWMUKMAXMEJSJ-KBXIAJHMSA-N -1 1 384.488 1.602 20 0 GDADMM C[C@H]1CCCN(C(=O)CCCF)[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001576170849 949741841 /nfs/dbraw/zinc/74/18/41/949741841.db2.gz NXTAEFAFQSLKMT-STQMWFEESA-N -1 1 376.440 1.836 20 0 GDADMM C[C@H]1CCCN(C(=O)CCCF)[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001576170849 949741858 /nfs/dbraw/zinc/74/18/58/949741858.db2.gz NXTAEFAFQSLKMT-STQMWFEESA-N -1 1 376.440 1.836 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1)C1CC1 ZINC001574481058 949761902 /nfs/dbraw/zinc/76/19/02/949761902.db2.gz MFJRNHFOSROAHZ-KBPBESRZSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1)C1CC1 ZINC001574481058 949761919 /nfs/dbraw/zinc/76/19/19/949761919.db2.gz MFJRNHFOSROAHZ-KBPBESRZSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](NC(=O)CCOc1ccccc1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575277901 949762108 /nfs/dbraw/zinc/76/21/08/949762108.db2.gz SFSPKEXFSWZQSH-STQMWFEESA-N -1 1 382.428 1.431 20 0 GDADMM C[C@H](NC(=O)CCOc1ccccc1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575277901 949762122 /nfs/dbraw/zinc/76/21/22/949762122.db2.gz SFSPKEXFSWZQSH-STQMWFEESA-N -1 1 382.428 1.431 20 0 GDADMM CC1(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(c2cncc(-c4nnn[n-]4)n2)C3)CCCC1 ZINC001575559755 949767701 /nfs/dbraw/zinc/76/77/01/949767701.db2.gz FZOASYDRESBKPY-MJBXVCDLSA-N -1 1 382.472 1.711 20 0 GDADMM CC1(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(c2cncc(-c4nn[n-]n4)n2)C3)CCCC1 ZINC001575559755 949767710 /nfs/dbraw/zinc/76/77/10/949767710.db2.gz FZOASYDRESBKPY-MJBXVCDLSA-N -1 1 382.472 1.711 20 0 GDADMM CC(C)C[C@H](C)CC(=O)NC1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574138069 949783858 /nfs/dbraw/zinc/78/38/58/949783858.db2.gz ZUIJLXVPLZCIGZ-NFOMZHRRSA-N -1 1 386.504 1.990 20 0 GDADMM C[C@H](CNC(=O)c1c(F)cc(F)cc1F)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574965265 949794714 /nfs/dbraw/zinc/79/47/14/949794714.db2.gz DZEUJZZACOLODP-MRVPVSSYSA-N -1 1 392.345 1.329 20 0 GDADMM C[C@H](CNC(=O)c1c(F)cc(F)cc1F)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574965265 949794726 /nfs/dbraw/zinc/79/47/26/949794726.db2.gz DZEUJZZACOLODP-MRVPVSSYSA-N -1 1 392.345 1.329 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@@](C)(O)C1CC1 ZINC001573822549 949795733 /nfs/dbraw/zinc/79/57/33/949795733.db2.gz JMNKXTFQDAZASU-KPZWWZAWSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@@](C)(O)C1CC1 ZINC001573822549 949795783 /nfs/dbraw/zinc/79/57/83/949795783.db2.gz JMNKXTFQDAZASU-KPZWWZAWSA-N -1 1 388.476 1.151 20 0 GDADMM C[C@H](CN(C)C(=O)CCCc1cccs1)Nc1nccnc1-c1nnn[n-]1 ZINC001574720600 949796070 /nfs/dbraw/zinc/79/60/70/949796070.db2.gz DNMCNIRQJCITQE-GFCCVEGCSA-N -1 1 386.485 2.000 20 0 GDADMM C[C@H](CN(C)C(=O)CCCc1cccs1)Nc1nccnc1-c1nn[n-]n1 ZINC001574720600 949796086 /nfs/dbraw/zinc/79/60/86/949796086.db2.gz DNMCNIRQJCITQE-GFCCVEGCSA-N -1 1 386.485 2.000 20 0 GDADMM C[C@@H](CN(C)C(=O)CCCc1cccs1)Nc1nccnc1-c1nnn[n-]1 ZINC001574720601 949796932 /nfs/dbraw/zinc/79/69/32/949796932.db2.gz DNMCNIRQJCITQE-LBPRGKRZSA-N -1 1 386.485 2.000 20 0 GDADMM C[C@@H](CN(C)C(=O)CCCc1cccs1)Nc1nccnc1-c1nn[n-]n1 ZINC001574720601 949796946 /nfs/dbraw/zinc/79/69/46/949796946.db2.gz DNMCNIRQJCITQE-LBPRGKRZSA-N -1 1 386.485 2.000 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001574138768 949798640 /nfs/dbraw/zinc/79/86/40/949798640.db2.gz GGAPBYYGKJDLHK-TUVASFSCSA-N -1 1 384.488 1.527 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001574138768 949798653 /nfs/dbraw/zinc/79/86/53/949798653.db2.gz GGAPBYYGKJDLHK-TUVASFSCSA-N -1 1 384.488 1.527 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)NCC1=CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574139042 949804341 /nfs/dbraw/zinc/80/43/41/949804341.db2.gz HZSRTKWWZKYKIQ-CQSZACIVSA-N -1 1 384.488 1.982 20 0 GDADMM C[C@@H](CN(C)C(=O)CCCc1cccnc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574721198 949814809 /nfs/dbraw/zinc/81/48/09/949814809.db2.gz KJTXTGKERFSSKL-ZDUSSCGKSA-N -1 1 381.444 1.333 20 0 GDADMM C[C@@H](CN(C)C(=O)CCCc1cccnc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574721198 949814826 /nfs/dbraw/zinc/81/48/26/949814826.db2.gz KJTXTGKERFSSKL-ZDUSSCGKSA-N -1 1 381.444 1.333 20 0 GDADMM C[C@H](CN(C)C(=O)CCc1ccc(F)cc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574721499 949820205 /nfs/dbraw/zinc/82/02/05/949820205.db2.gz MOCFNXNIDWBVFL-GFCCVEGCSA-N -1 1 384.419 1.109 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2cc(Cl)c[nH]2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575883497 949820235 /nfs/dbraw/zinc/82/02/35/949820235.db2.gz GARIBJVBUWWQHM-GXSJLCMTSA-N -1 1 387.835 1.426 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2cc(Cl)c[nH]2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575883497 949820251 /nfs/dbraw/zinc/82/02/51/949820251.db2.gz GARIBJVBUWWQHM-GXSJLCMTSA-N -1 1 387.835 1.426 20 0 GDADMM C[C@@H](CN(C)C(=O)CCc1ccccc1F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574721508 949822417 /nfs/dbraw/zinc/82/24/17/949822417.db2.gz MRKPAUWUYAKFFT-LBPRGKRZSA-N -1 1 384.419 1.687 20 0 GDADMM C[C@@H](CN(C)C(=O)CCc1ccccc1F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574721508 949822437 /nfs/dbraw/zinc/82/24/37/949822437.db2.gz MRKPAUWUYAKFFT-LBPRGKRZSA-N -1 1 384.419 1.687 20 0 GDADMM C[C@@H](NC(=O)COCC1CC1)[C@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575283130 949859818 /nfs/dbraw/zinc/85/98/18/949859818.db2.gz NNEDMLVTIITNRL-SFYZADRCSA-N -1 1 385.881 1.708 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001574142339 949867851 /nfs/dbraw/zinc/86/78/51/949867851.db2.gz XLTVHAKOERLVPB-RBSFLKMASA-N -1 1 386.504 1.918 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001574142339 949867867 /nfs/dbraw/zinc/86/78/67/949867867.db2.gz XLTVHAKOERLVPB-RBSFLKMASA-N -1 1 386.504 1.918 20 0 GDADMM CC1(C(=O)N[C@@H]2CC[C@@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]3C2)CCC1 ZINC001575565958 949887015 /nfs/dbraw/zinc/88/70/15/949887015.db2.gz ZDWLINRCKIDONO-MGPQQGTHSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](NC(=O)COC(C)(C)C)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575283897 949886878 /nfs/dbraw/zinc/88/68/78/949886878.db2.gz QZPMPKHYHUTAFF-OLZOCXBDSA-N -1 1 388.476 1.193 20 0 GDADMM C[C@@H](NC(=O)COC(C)(C)C)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575283897 949886899 /nfs/dbraw/zinc/88/68/99/949886899.db2.gz QZPMPKHYHUTAFF-OLZOCXBDSA-N -1 1 388.476 1.193 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cc(F)c[nH]2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576178694 949895413 /nfs/dbraw/zinc/89/54/13/949895413.db2.gz CMZAMQRRVWCVMO-HZMBPMFUSA-N -1 1 385.407 1.477 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cc(F)c[nH]2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576178694 949895428 /nfs/dbraw/zinc/89/54/28/949895428.db2.gz CMZAMQRRVWCVMO-HZMBPMFUSA-N -1 1 385.407 1.477 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H]2[C@@H]1CCN2c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001574484854 949909099 /nfs/dbraw/zinc/90/90/99/949909099.db2.gz QAYHLQNGCQCBSC-SNPRPXQTSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H]2[C@@H]1CCN2c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001574484854 949909117 /nfs/dbraw/zinc/90/91/17/949909117.db2.gz QAYHLQNGCQCBSC-SNPRPXQTSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H](CC(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)c1ccccc1 ZINC001574485011 949916613 /nfs/dbraw/zinc/91/66/13/949916613.db2.gz UQORCSCSTPJUEF-HNNXBMFYSA-N -1 1 392.467 1.889 20 0 GDADMM CC(C)(C)/C=C\C(=O)N1CCC[C@](CO)(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573827557 949919930 /nfs/dbraw/zinc/91/99/30/949919930.db2.gz MLWVDIPKZCUUOV-CNRGFGOASA-N -1 1 386.460 1.024 20 0 GDADMM CC(C)(C)/C=C\C(=O)N1CCC[C@](CO)(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573827557 949919961 /nfs/dbraw/zinc/91/99/61/949919961.db2.gz MLWVDIPKZCUUOV-CNRGFGOASA-N -1 1 386.460 1.024 20 0 GDADMM C[C@@H](CC(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)C(F)(F)F ZINC001574487662 949930833 /nfs/dbraw/zinc/93/08/33/949930833.db2.gz ASXCBHOVDBGOGH-GZMMTYOYSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](CC(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)C(F)(F)F ZINC001574487662 949930852 /nfs/dbraw/zinc/93/08/52/949930852.db2.gz ASXCBHOVDBGOGH-GZMMTYOYSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@]1(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CCc2ccccc21 ZINC001575569837 949932509 /nfs/dbraw/zinc/93/25/09/949932509.db2.gz OXPYOOQSXZLDLY-VBKZILBWSA-N -1 1 390.451 1.256 20 0 GDADMM C[C@@]1(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CCc2ccccc21 ZINC001575569837 949932529 /nfs/dbraw/zinc/93/25/29/949932529.db2.gz OXPYOOQSXZLDLY-VBKZILBWSA-N -1 1 390.451 1.256 20 0 GDADMM C[C@@H](CC(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)n1cccc1 ZINC001574487730 949935630 /nfs/dbraw/zinc/93/56/30/949935630.db2.gz BLCBNIQITQTECO-JSGCOSHPSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](CC(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)n1cccc1 ZINC001574487730 949935648 /nfs/dbraw/zinc/93/56/48/949935648.db2.gz BLCBNIQITQTECO-JSGCOSHPSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H]1CCN(C(=O)Cc2ccccc2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576180102 949939721 /nfs/dbraw/zinc/93/97/21/949939721.db2.gz CBOWZMOHXFHLEI-GDBMZVCRSA-N -1 1 392.467 1.796 20 0 GDADMM C[C@@H]1CCN(C(=O)Cc2ccccc2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576180102 949939737 /nfs/dbraw/zinc/93/97/37/949939737.db2.gz CBOWZMOHXFHLEI-GDBMZVCRSA-N -1 1 392.467 1.796 20 0 GDADMM C[C@@H](CN(C)C(=O)COc1ccc(F)cc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574727053 949956388 /nfs/dbraw/zinc/95/63/88/949956388.db2.gz OIIIMKSIINTVOD-NSHDSACASA-N -1 1 386.391 1.134 20 0 GDADMM C[C@@H](CN(C)C(=O)COc1ccc(F)cc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574727053 949956404 /nfs/dbraw/zinc/95/64/04/949956404.db2.gz OIIIMKSIINTVOD-NSHDSACASA-N -1 1 386.391 1.134 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ccc(Cl)[nH]2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575890826 949969193 /nfs/dbraw/zinc/96/91/93/949969193.db2.gz AARHGTNBDITHCN-ZJUUUORDSA-N -1 1 387.835 1.426 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ccc(Cl)[nH]2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575890826 949969208 /nfs/dbraw/zinc/96/92/08/949969208.db2.gz AARHGTNBDITHCN-ZJUUUORDSA-N -1 1 387.835 1.426 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccsn2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576181267 949996226 /nfs/dbraw/zinc/99/62/26/949996226.db2.gz LKUVXEKHYCOPJF-CMPLNLGQSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccsn2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576181267 949996242 /nfs/dbraw/zinc/99/62/42/949996242.db2.gz LKUVXEKHYCOPJF-CMPLNLGQSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2ccccc2O)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575891321 950000030 /nfs/dbraw/zinc/00/00/30/950000030.db2.gz HZIWNHJVMDBJQF-WCQYABFASA-N -1 1 380.412 1.150 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2ccccc2O)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575891321 950000051 /nfs/dbraw/zinc/00/00/51/950000051.db2.gz HZIWNHJVMDBJQF-WCQYABFASA-N -1 1 380.412 1.150 20 0 GDADMM C[C@H](NC(=O)Cc1cccc(Cl)c1)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575289806 950003289 /nfs/dbraw/zinc/00/32/89/950003289.db2.gz BWPPXYCNXYIZSI-QWRGUYRKSA-N -1 1 386.847 1.280 20 0 GDADMM C[C@H](CC(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)n1cccc1 ZINC001574490716 950015123 /nfs/dbraw/zinc/01/51/23/950015123.db2.gz XOUUANSZXCKODE-IUODEOHRSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](CC(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)n1cccc1 ZINC001574490716 950015147 /nfs/dbraw/zinc/01/51/47/950015147.db2.gz XOUUANSZXCKODE-IUODEOHRSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](CC(=O)N[C@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccccc1 ZINC001574491212 950031516 /nfs/dbraw/zinc/03/15/16/950031516.db2.gz BCUQYRXGGVTSOU-VBKZILBWSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@@H](CC(=O)N[C@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccccc1 ZINC001574491212 950031539 /nfs/dbraw/zinc/03/15/39/950031539.db2.gz BCUQYRXGGVTSOU-VBKZILBWSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@@H](CC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)n1cccc1 ZINC001574491626 950038843 /nfs/dbraw/zinc/03/88/43/950038843.db2.gz FBTWMDXLGOGBLQ-ZDUSSCGKSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](CC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)n1cccc1 ZINC001574491626 950038866 /nfs/dbraw/zinc/03/88/66/950038866.db2.gz FBTWMDXLGOGBLQ-ZDUSSCGKSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574491791 950045996 /nfs/dbraw/zinc/04/59/96/950045996.db2.gz GDCMJRAZPKWVBY-NXEZZACHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2ccc(Cl)o2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575892117 950052458 /nfs/dbraw/zinc/05/24/58/950052458.db2.gz RQQUXCFDSZOTRD-NXEZZACHSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2ccc(Cl)o2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575892117 950052478 /nfs/dbraw/zinc/05/24/78/950052478.db2.gz RQQUXCFDSZOTRD-NXEZZACHSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@@H]1CCN(C(=O)C2C=CC=CC=C2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576182469 950054497 /nfs/dbraw/zinc/05/44/97/950054497.db2.gz MDLGRRIGVPBMSF-ZBFHGGJFSA-N -1 1 392.467 1.852 20 0 GDADMM C[C@@H]1CCN(C(=O)C2C=CC=CC=C2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576182469 950054515 /nfs/dbraw/zinc/05/45/15/950054515.db2.gz MDLGRRIGVPBMSF-ZBFHGGJFSA-N -1 1 392.467 1.852 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H](C)Cc1ccccc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574732538 950074658 /nfs/dbraw/zinc/07/46/58/950074658.db2.gz JQQXTAINWAPUFN-UONOGXRCSA-N -1 1 380.456 1.794 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H](C)Cc1ccccc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574732538 950074680 /nfs/dbraw/zinc/07/46/80/950074680.db2.gz JQQXTAINWAPUFN-UONOGXRCSA-N -1 1 380.456 1.794 20 0 GDADMM C[C@H](CC(=O)N[C@@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2)C1CC1 ZINC001574492476 950089992 /nfs/dbraw/zinc/08/99/92/950089992.db2.gz NFZJTAIJBPHYPR-KPAZRMRSSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H](CC(=O)N[C@@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2)C1CC1 ZINC001574492476 950090013 /nfs/dbraw/zinc/09/00/13/950090013.db2.gz NFZJTAIJBPHYPR-KPAZRMRSSA-N -1 1 382.472 1.711 20 0 GDADMM CC1(C(=O)NCC2(Nc3cnc(-c4nnn[n-]4)cn3)CCC2)CC(F)(F)C1 ZINC001575581968 950093874 /nfs/dbraw/zinc/09/38/74/950093874.db2.gz ADUMXEGSENMHBY-UHFFFAOYSA-N -1 1 378.387 1.543 20 0 GDADMM CC1(C(=O)NCC2(Nc3cnc(-c4nn[n-]n4)cn3)CCC2)CC(F)(F)C1 ZINC001575581968 950093891 /nfs/dbraw/zinc/09/38/91/950093891.db2.gz ADUMXEGSENMHBY-UHFFFAOYSA-N -1 1 378.387 1.543 20 0 GDADMM O=C([O-])[C@H]1CCCN(c2ccc(CN3CCC([C@@H]4COC(=O)N4)CC3)o2)C1 ZINC001595294108 950101893 /nfs/dbraw/zinc/10/18/93/950101893.db2.gz XKPWEZAXDYMKSG-HOCLYGCPSA-N -1 1 377.441 1.901 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)c1ccccc1 ZINC001574492973 950107316 /nfs/dbraw/zinc/10/73/16/950107316.db2.gz PYVZLITUJFIBMA-GOEBONIOSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)c1ccccc1 ZINC001574492973 950107328 /nfs/dbraw/zinc/10/73/28/950107328.db2.gz PYVZLITUJFIBMA-GOEBONIOSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H]1CCN(C(=O)C2C=CC=CC=C2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576183940 950108988 /nfs/dbraw/zinc/10/89/88/950108988.db2.gz SHWAVNLRJVGCQE-HOCLYGCPSA-N -1 1 392.467 1.274 20 0 GDADMM CC(C)(C)CC(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573839126 950120975 /nfs/dbraw/zinc/12/09/75/950120975.db2.gz LLCLUTYVUNHCRM-RHSMWYFYSA-N -1 1 392.467 1.709 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccsc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574733951 950124002 /nfs/dbraw/zinc/12/40/02/950124002.db2.gz HTNOVLWYZXYTMJ-KGYLQXTDSA-N -1 1 384.469 1.781 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccsc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574733951 950124014 /nfs/dbraw/zinc/12/40/14/950124014.db2.gz HTNOVLWYZXYTMJ-KGYLQXTDSA-N -1 1 384.469 1.781 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1)C(F)(F)F ZINC001574493376 950126372 /nfs/dbraw/zinc/12/63/72/950126372.db2.gz GBXPKRHHKTWWOC-WCBMZHEXSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1)C(F)(F)F ZINC001574493376 950126385 /nfs/dbraw/zinc/12/63/85/950126385.db2.gz GBXPKRHHKTWWOC-WCBMZHEXSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1 ZINC001574493930 950147815 /nfs/dbraw/zinc/14/78/15/950147815.db2.gz VLQUGIVNMGUJJT-HOCLYGCPSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1 ZINC001574493930 950147832 /nfs/dbraw/zinc/14/78/32/950147832.db2.gz VLQUGIVNMGUJJT-HOCLYGCPSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccsc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574734938 950150843 /nfs/dbraw/zinc/15/08/43/950150843.db2.gz VNGAWGJYXBCHKM-WCFLWFBJSA-N -1 1 384.469 1.203 20 0 GDADMM CC1(C(=O)NCC2CC(Nc3cncc(-c4nnn[n-]4)n3)C2)CC(F)(F)C1 ZINC001575584997 950188192 /nfs/dbraw/zinc/18/81/92/950188192.db2.gz VBSNFDHUCODFGE-UHFFFAOYSA-N -1 1 378.387 1.399 20 0 GDADMM CC1(C(=O)NCC2CC(Nc3cncc(-c4nn[n-]n4)n3)C2)CC(F)(F)C1 ZINC001575584997 950188201 /nfs/dbraw/zinc/18/82/01/950188201.db2.gz VBSNFDHUCODFGE-UHFFFAOYSA-N -1 1 378.387 1.399 20 0 GDADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCC1(F)F ZINC001574155574 950200411 /nfs/dbraw/zinc/20/04/11/950200411.db2.gz OFIZGVBVYHLHNU-GHMZBOCLSA-N -1 1 380.403 1.067 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H]1CCC1(F)F ZINC001574155640 950200536 /nfs/dbraw/zinc/20/05/36/950200536.db2.gz PKAZBRRRQHWHPT-GHMZBOCLSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H]1CCC1(F)F ZINC001574155640 950200551 /nfs/dbraw/zinc/20/05/51/950200551.db2.gz PKAZBRRRQHWHPT-GHMZBOCLSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CC12CCCC2 ZINC001574156008 950219024 /nfs/dbraw/zinc/21/90/24/950219024.db2.gz UHZNQDLCVNDHHC-KBPBESRZSA-N -1 1 384.488 1.602 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCC1)c1ccco1 ZINC001574497714 950238646 /nfs/dbraw/zinc/23/86/46/950238646.db2.gz BNCMQGNVHLCXLZ-LBPRGKRZSA-N -1 1 382.428 1.894 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCC1)c1ccco1 ZINC001574497714 950238664 /nfs/dbraw/zinc/23/86/64/950238664.db2.gz BNCMQGNVHLCXLZ-LBPRGKRZSA-N -1 1 382.428 1.894 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1)CC(C)(C)C ZINC001574497911 950251372 /nfs/dbraw/zinc/25/13/72/950251372.db2.gz GGSPISOSWHPOQP-NEPJUHHUSA-N -1 1 376.465 1.008 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1)CC(C)(C)C ZINC001574497911 950251385 /nfs/dbraw/zinc/25/13/85/950251385.db2.gz GGSPISOSWHPOQP-NEPJUHHUSA-N -1 1 376.465 1.008 20 0 GDADMM CC(C)(C)OC(=O)[C@@H](Cc1ccncc1)NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001573850185 950267380 /nfs/dbraw/zinc/26/73/80/950267380.db2.gz GWMKBSYZGIQXDN-CYBMUJFWSA-N -1 1 384.396 1.538 20 0 GDADMM CC(C)(C)OC(=O)[C@@H](Cc1ccncc1)NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001573850185 950267400 /nfs/dbraw/zinc/26/74/00/950267400.db2.gz GWMKBSYZGIQXDN-CYBMUJFWSA-N -1 1 384.396 1.538 20 0 GDADMM C[C@@H]1CCN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C[C@@H]1O ZINC001576192942 950277746 /nfs/dbraw/zinc/27/77/46/950277746.db2.gz RPUAQVAUVRGXLB-MFKMUULPSA-N -1 1 386.391 1.426 20 0 GDADMM CC(C)(C)NS(=O)(=O)C1(CNc2cc(-c3nnn[n-]3)nc(C3CC3)n2)CC1 ZINC001573851111 950282158 /nfs/dbraw/zinc/28/21/58/950282158.db2.gz RKSHFOIYTBMNFH-UHFFFAOYSA-N -1 1 392.489 1.197 20 0 GDADMM CC(C)(C)NS(=O)(=O)C1(CNc2cc(-c3nn[n-]n3)nc(C3CC3)n2)CC1 ZINC001573851111 950282176 /nfs/dbraw/zinc/28/21/76/950282176.db2.gz RKSHFOIYTBMNFH-UHFFFAOYSA-N -1 1 392.489 1.197 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1C[C@@H]1c1ccccc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574742626 950296925 /nfs/dbraw/zinc/29/69/25/950296925.db2.gz QGQYJFOGVOCUAF-YUELXQCFSA-N -1 1 378.440 1.719 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1C[C@@H]1c1ccccc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574742626 950296942 /nfs/dbraw/zinc/29/69/42/950296942.db2.gz QGQYJFOGVOCUAF-YUELXQCFSA-N -1 1 378.440 1.719 20 0 GDADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccc(Cl)[nH]1 ZINC001574159316 950303253 /nfs/dbraw/zinc/30/32/53/950303253.db2.gz WGCLEDJZIZEDPG-SNVBAGLBSA-N -1 1 389.851 1.317 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C=Cc1ccco1 ZINC001574160087 950328642 /nfs/dbraw/zinc/32/86/42/950328642.db2.gz KTYSCICDBRYGPN-GFUIURDCSA-N -1 1 382.428 1.906 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C=Cc1ccco1 ZINC001574160087 950328661 /nfs/dbraw/zinc/32/86/61/950328661.db2.gz KTYSCICDBRYGPN-GFUIURDCSA-N -1 1 382.428 1.906 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001574501722 950343743 /nfs/dbraw/zinc/34/37/43/950343743.db2.gz GVMNELZYZCSYOJ-KGLIPLIRSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574501722 950343765 /nfs/dbraw/zinc/34/37/65/950343765.db2.gz GVMNELZYZCSYOJ-KGLIPLIRSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@]1(C(=O)NC[C@H]2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CCCOC1 ZINC001575596058 950366491 /nfs/dbraw/zinc/36/64/91/950366491.db2.gz AEEHDXHMESUAJV-JCGVRSQUSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@]1(C(=O)NC[C@H]2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CCCOC1 ZINC001575596058 950366511 /nfs/dbraw/zinc/36/65/11/950366511.db2.gz AEEHDXHMESUAJV-JCGVRSQUSA-N -1 1 386.460 1.170 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H](C)C(F)(F)F ZINC001574161838 950369032 /nfs/dbraw/zinc/36/90/32/950369032.db2.gz YEEMCTVWEHOYCG-VHSXEESVSA-N -1 1 386.382 1.798 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)C(F)(F)F ZINC001574161838 950369053 /nfs/dbraw/zinc/36/90/53/950369053.db2.gz YEEMCTVWEHOYCG-VHSXEESVSA-N -1 1 386.382 1.798 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001574502273 950370275 /nfs/dbraw/zinc/37/02/75/950370275.db2.gz LJEZVCNDWAZEQB-GDBMZVCRSA-N -1 1 392.467 1.936 20 0 GDADMM CCN(C)Cc1cc(O[C@@H]2CCN(C(=O)C3(C(=O)[O-])CCOCC3)C2)ccn1 ZINC001589715595 950373406 /nfs/dbraw/zinc/37/34/06/950373406.db2.gz VURLDHPNIYWZEF-QGZVFWFLSA-N -1 1 391.468 1.394 20 0 GDADMM CC1(C(=O)NC[C@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CC(F)(F)C1 ZINC001575596404 950376949 /nfs/dbraw/zinc/37/69/49/950376949.db2.gz DTCYMEPOWOXBNH-AOOOYVTPSA-N -1 1 378.387 1.399 20 0 GDADMM CC1(C(=O)NC[C@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CC(F)(F)C1 ZINC001575596404 950376962 /nfs/dbraw/zinc/37/69/62/950376962.db2.gz DTCYMEPOWOXBNH-AOOOYVTPSA-N -1 1 378.387 1.399 20 0 GDADMM CC1(C(=O)NC[C@H]2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)CC(F)(F)C1 ZINC001575596675 950384374 /nfs/dbraw/zinc/38/43/74/950384374.db2.gz HJMXFAMPQRMMIY-WDEREUQCSA-N -1 1 392.414 1.789 20 0 GDADMM CC1(C(=O)NC[C@H]2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)CC(F)(F)C1 ZINC001575596675 950384392 /nfs/dbraw/zinc/38/43/92/950384392.db2.gz HJMXFAMPQRMMIY-WDEREUQCSA-N -1 1 392.414 1.789 20 0 GDADMM CC1(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3c2cnc(-c3nnn[n-]3)cn2)CCC1 ZINC001575596931 950394985 /nfs/dbraw/zinc/39/49/85/950394985.db2.gz JSRDMYHTWTXAQL-BTTYYORXSA-N -1 1 382.472 1.711 20 0 GDADMM CC1(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3c2cnc(-c3nn[n-]n3)cn2)CCC1 ZINC001575596931 950395007 /nfs/dbraw/zinc/39/50/07/950395007.db2.gz JSRDMYHTWTXAQL-BTTYYORXSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)NCCCN2CCN(c3ccccc3)CC2)C1 ZINC000263353133 950395169 /nfs/dbraw/zinc/39/51/69/950395169.db2.gz QFXOFWYKYHDVAF-ROUUACIJSA-N -1 1 388.512 1.951 20 0 GDADMM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCCCN2CCN(c3ccccc3)CC2)C1 ZINC000263353132 950395199 /nfs/dbraw/zinc/39/51/99/950395199.db2.gz QFXOFWYKYHDVAF-QZTJIDSGSA-N -1 1 388.512 1.951 20 0 GDADMM CC(C)CC1(C(=O)N(C)[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CCC1 ZINC001574162847 950403765 /nfs/dbraw/zinc/40/37/65/950403765.db2.gz KCEZLNYCIAWIDO-CQSZACIVSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CC1(C(=O)N(C)[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CCC1 ZINC001574162847 950403777 /nfs/dbraw/zinc/40/37/77/950403777.db2.gz KCEZLNYCIAWIDO-CQSZACIVSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001573857494 950404144 /nfs/dbraw/zinc/40/41/44/950404144.db2.gz SGJLJUMPEPYUNR-PJXYFTJBSA-N -1 1 386.416 1.249 20 0 GDADMM CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001573857494 950404155 /nfs/dbraw/zinc/40/41/55/950404155.db2.gz SGJLJUMPEPYUNR-PJXYFTJBSA-N -1 1 386.416 1.249 20 0 GDADMM CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2cccc(-c3nnn[n-]3)n2)C1 ZINC001573857669 950407720 /nfs/dbraw/zinc/40/77/20/950407720.db2.gz WGJOWYVPKABOHS-BUXKBTBVSA-N -1 1 399.455 1.781 20 0 GDADMM CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2cccc(-c3nn[n-]n3)n2)C1 ZINC001573857669 950407743 /nfs/dbraw/zinc/40/77/43/950407743.db2.gz WGJOWYVPKABOHS-BUXKBTBVSA-N -1 1 399.455 1.781 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574503494 950414725 /nfs/dbraw/zinc/41/47/25/950414725.db2.gz XJMHODPORUOHPI-UWVGGRQHSA-N -1 1 384.366 1.188 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)Cc1cccnc1 ZINC001574163121 950415052 /nfs/dbraw/zinc/41/50/52/950415052.db2.gz PRIPUHXQWBJWNK-CQSZACIVSA-N -1 1 381.444 1.237 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)Cc1cccnc1 ZINC001574163121 950415064 /nfs/dbraw/zinc/41/50/64/950415064.db2.gz PRIPUHXQWBJWNK-CQSZACIVSA-N -1 1 381.444 1.237 20 0 GDADMM CC(C)(C)OC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001573861564 950449108 /nfs/dbraw/zinc/44/91/08/950449108.db2.gz APAYZPVLIFAJJQ-JTQLQIEISA-N -1 1 383.430 1.345 20 0 GDADMM CC(C)CC1(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CCCC1 ZINC001574166583 950468052 /nfs/dbraw/zinc/46/80/52/950468052.db2.gz SYLQYSFSWPNBBN-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)CC1(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CCCC1 ZINC001574166583 950468064 /nfs/dbraw/zinc/46/80/64/950468064.db2.gz SYLQYSFSWPNBBN-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)(C)OC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001573862544 950468979 /nfs/dbraw/zinc/46/89/79/950468979.db2.gz WQNNLXKYRNUGCI-NWDGAFQWSA-N -1 1 384.440 1.909 20 0 GDADMM CC(C)(C)OC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001573862544 950468993 /nfs/dbraw/zinc/46/89/93/950468993.db2.gz WQNNLXKYRNUGCI-NWDGAFQWSA-N -1 1 384.440 1.909 20 0 GDADMM CC(C)CC1(C(=O)NC[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CCC1 ZINC001574166777 950478312 /nfs/dbraw/zinc/47/83/12/950478312.db2.gz ZDZKAHIAHDPYQX-AWEZNQCLSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)CC1(C(=O)NC[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CCC1 ZINC001574166777 950478325 /nfs/dbraw/zinc/47/83/25/950478325.db2.gz ZDZKAHIAHDPYQX-AWEZNQCLSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C)OC(=O)c1cnc(C(=O)NCc2ccc(-c3nn[n-]n3)s2)cn1 ZINC001573863405 950480831 /nfs/dbraw/zinc/48/08/31/950480831.db2.gz HFGWQNZYPBTNPB-UHFFFAOYSA-N -1 1 387.425 1.604 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001574508506 950482524 /nfs/dbraw/zinc/48/25/24/950482524.db2.gz PCAKWOAXRPTFSS-GUBZILKMSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001574508506 950482541 /nfs/dbraw/zinc/48/25/41/950482541.db2.gz PCAKWOAXRPTFSS-GUBZILKMSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)Cc1cccc(F)c1 ZINC001575915371 950512060 /nfs/dbraw/zinc/51/20/60/950512060.db2.gz MVUBDIQQJSHWSY-FZMZJTMJSA-N -1 1 382.403 1.440 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)Cc1cccc(F)c1 ZINC001575915371 950512082 /nfs/dbraw/zinc/51/20/82/950512082.db2.gz MVUBDIQQJSHWSY-FZMZJTMJSA-N -1 1 382.403 1.440 20 0 GDADMM CC(C)(C)OCC(=O)N1CCCC[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001573867165 950525480 /nfs/dbraw/zinc/52/54/80/950525480.db2.gz ROCQCWWTYLOZLC-ZDUSSCGKSA-N -1 1 388.476 1.077 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001574509869 950537174 /nfs/dbraw/zinc/53/71/74/950537174.db2.gz ZZDDYKZIDQZASI-IHRRRGAJSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001574509869 950537185 /nfs/dbraw/zinc/53/71/85/950537185.db2.gz ZZDDYKZIDQZASI-IHRRRGAJSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C)c1ccco1 ZINC001574510767 950547939 /nfs/dbraw/zinc/54/79/39/950547939.db2.gz ACPRKFLACNRSKA-YNEHKIRRSA-N -1 1 382.428 1.384 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1ccco1 ZINC001574511606 950567534 /nfs/dbraw/zinc/56/75/34/950567534.db2.gz OAUJABFBIYYBSP-YNEHKIRRSA-N -1 1 382.428 1.384 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1ccco1 ZINC001574511606 950567552 /nfs/dbraw/zinc/56/75/52/950567552.db2.gz OAUJABFBIYYBSP-YNEHKIRRSA-N -1 1 382.428 1.384 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cc(F)ccc1F ZINC001575917527 950580851 /nfs/dbraw/zinc/58/08/51/950580851.db2.gz YTCQFNIKMKBJHO-TVQRCGJNSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cc(F)ccc1F ZINC001575917527 950580867 /nfs/dbraw/zinc/58/08/67/950580867.db2.gz YTCQFNIKMKBJHO-TVQRCGJNSA-N -1 1 386.366 1.650 20 0 GDADMM CC(C)(C)OCC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001573870889 950603906 /nfs/dbraw/zinc/60/39/06/950603906.db2.gz ZGMOBSMRRNCNEO-YHWZYXNKSA-N -1 1 386.460 1.088 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C ZINC001573870853 950604549 /nfs/dbraw/zinc/60/45/49/950604549.db2.gz YFMWRRRXVLJCCN-ZDUSSCGKSA-N -1 1 388.476 1.193 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C ZINC001573870853 950604571 /nfs/dbraw/zinc/60/45/71/950604571.db2.gz YFMWRRRXVLJCCN-ZDUSSCGKSA-N -1 1 388.476 1.193 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1scnc1Cl ZINC001575919337 950609579 /nfs/dbraw/zinc/60/95/79/950609579.db2.gz GSPRZBVYMCNJES-HTQZYQBOSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1scnc1Cl ZINC001575919337 950609587 /nfs/dbraw/zinc/60/95/87/950609587.db2.gz GSPRZBVYMCNJES-HTQZYQBOSA-N -1 1 391.848 1.482 20 0 GDADMM CC1(C)C(C(=O)N2CCC[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)C1(C)C ZINC001575618611 950611146 /nfs/dbraw/zinc/61/11/46/950611146.db2.gz LLJMAPZEJNNBRH-LBPRGKRZSA-N -1 1 384.488 1.989 20 0 GDADMM CC1(C)C(C(=O)N2CCC[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)C1(C)C ZINC001575618611 950611158 /nfs/dbraw/zinc/61/11/58/950611158.db2.gz LLJMAPZEJNNBRH-LBPRGKRZSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)ccc1F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575001592 950639142 /nfs/dbraw/zinc/63/91/42/950639142.db2.gz WFYQAHFJGOJRIQ-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)ccc1F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575001592 950639158 /nfs/dbraw/zinc/63/91/58/950639158.db2.gz WFYQAHFJGOJRIQ-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccn(C)c1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574759625 950644555 /nfs/dbraw/zinc/64/45/55/950644555.db2.gz PRWCYPAMXYXNMQ-MRVPVSSYSA-N -1 1 380.865 1.888 20 0 GDADMM C[C@H](CNC(=O)c1cc2c(o1)CCCC2)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575003102 950670899 /nfs/dbraw/zinc/67/08/99/950670899.db2.gz XZKFAWNIMIEXLN-LLVKDONJSA-N -1 1 382.428 1.383 20 0 GDADMM C[C@H](CNC(=O)c1cc2c(o1)CCCC2)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575003102 950670913 /nfs/dbraw/zinc/67/09/13/950670913.db2.gz XZKFAWNIMIEXLN-LLVKDONJSA-N -1 1 382.428 1.383 20 0 GDADMM CC(C)CCC(=O)N1C[C@@]2(C)CN(c3nccnc3-c3nnn[n-]3)C[C@@]2(C)C1 ZINC001574176461 950678691 /nfs/dbraw/zinc/67/86/91/950678691.db2.gz WGNDIUDZJWNNNV-KDURUIRLSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)CCC(=O)N1C[C@@]2(C)CN(c3nccnc3-c3nn[n-]n3)C[C@@]2(C)C1 ZINC001574176461 950678705 /nfs/dbraw/zinc/67/87/05/950678705.db2.gz WGNDIUDZJWNNNV-KDURUIRLSA-N -1 1 384.488 1.768 20 0 GDADMM CC1(C)[C@H](NC(=O)CCCF)[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)[C@@H]21 ZINC001575624921 950678807 /nfs/dbraw/zinc/67/88/07/950678807.db2.gz QQQBSGQRGYKYLI-LYRGGWFBSA-N -1 1 388.451 1.516 20 0 GDADMM CC1(C)[C@H](NC(=O)CCCF)[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)[C@@H]21 ZINC001575624921 950678814 /nfs/dbraw/zinc/67/88/14/950678814.db2.gz QQQBSGQRGYKYLI-LYRGGWFBSA-N -1 1 388.451 1.516 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001573876785 950682484 /nfs/dbraw/zinc/68/24/84/950682484.db2.gz WECRXTBGVNLTJV-ARGWCVDVSA-N -1 1 396.499 1.768 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001573876785 950682498 /nfs/dbraw/zinc/68/24/98/950682498.db2.gz WECRXTBGVNLTJV-ARGWCVDVSA-N -1 1 396.499 1.768 20 0 GDADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc2c(c1)CCC2 ZINC001575925813 950693746 /nfs/dbraw/zinc/69/37/46/950693746.db2.gz VBOOAOYTLCZZDD-BLLLJJGKSA-N -1 1 390.451 1.282 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573878508 950708829 /nfs/dbraw/zinc/70/88/29/950708829.db2.gz RERSHDWWSJGFMZ-MGPQQGTHSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573878508 950708844 /nfs/dbraw/zinc/70/88/44/950708844.db2.gz RERSHDWWSJGFMZ-MGPQQGTHSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)CCC(=O)NC[C@@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001574179989 950715480 /nfs/dbraw/zinc/71/54/80/950715480.db2.gz MKQXJTWJDGSBBI-CYBMUJFWSA-N -1 1 378.502 1.681 20 0 GDADMM CC1(C)CC(C(=O)NC2CC3(C2)CC(Nc2cnc(-c4nnn[n-]4)cn2)C3)C1 ZINC001575628547 950723435 /nfs/dbraw/zinc/72/34/35/950723435.db2.gz FFLIFURIZLRWAS-UHFFFAOYSA-N -1 1 382.472 1.932 20 0 GDADMM CC1(C)CC(C(=O)NC2CC3(C2)CC(Nc2cnc(-c4nn[n-]n4)cn2)C3)C1 ZINC001575628547 950723449 /nfs/dbraw/zinc/72/34/49/950723449.db2.gz FFLIFURIZLRWAS-UHFFFAOYSA-N -1 1 382.472 1.932 20 0 GDADMM CC1(C)CC(C(=O)NC[C@H](O)CNc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001575628524 950724490 /nfs/dbraw/zinc/72/44/90/950724490.db2.gz DYZLJMPFFRRBQM-QMMMGPOBSA-N -1 1 385.881 1.302 20 0 GDADMM CC1(C)CC(C(=O)NC[C@H](O)CNc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001575628524 950724509 /nfs/dbraw/zinc/72/45/09/950724509.db2.gz DYZLJMPFFRRBQM-QMMMGPOBSA-N -1 1 385.881 1.302 20 0 GDADMM CC1(C)CC(C(=O)N[C@@H]2CCCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575628870 950727778 /nfs/dbraw/zinc/72/77/78/950727778.db2.gz INOJPZIEDVALIZ-GXTWGEPZSA-N -1 1 384.488 1.602 20 0 GDADMM CC1(C)CC(C(=O)N[C@@H]2CCCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575628874 950728671 /nfs/dbraw/zinc/72/86/71/950728671.db2.gz INOJPZIEDVALIZ-TZMCWYRMSA-N -1 1 384.488 1.602 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C(F)F)CC[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576216992 950750534 /nfs/dbraw/zinc/75/05/34/950750534.db2.gz FPWVRRXQSPCZTG-UWVGGRQHSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C(F)F)CC[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576216992 950750544 /nfs/dbraw/zinc/75/05/44/950750544.db2.gz FPWVRRXQSPCZTG-UWVGGRQHSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)COCC1CCCC1 ZINC001575927943 950765406 /nfs/dbraw/zinc/76/54/06/950765406.db2.gz WKNPQYNBJKZTES-OCCSQVGLSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)COCC1CCCC1 ZINC001575927943 950765414 /nfs/dbraw/zinc/76/54/14/950765414.db2.gz WKNPQYNBJKZTES-OCCSQVGLSA-N -1 1 386.460 1.265 20 0 GDADMM CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001574184142 950775383 /nfs/dbraw/zinc/77/53/83/950775383.db2.gz FUTVWPHROARQCB-LBPRGKRZSA-N -1 1 392.464 1.868 20 0 GDADMM CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001574184142 950775390 /nfs/dbraw/zinc/77/53/90/950775390.db2.gz FUTVWPHROARQCB-LBPRGKRZSA-N -1 1 392.464 1.868 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCC1CCOCC1 ZINC001575928206 950775708 /nfs/dbraw/zinc/77/57/08/950775708.db2.gz ZWRWAMKKIJLACI-JSGCOSHPSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCC1CCOCC1 ZINC001575928206 950775720 /nfs/dbraw/zinc/77/57/20/950775720.db2.gz ZWRWAMKKIJLACI-JSGCOSHPSA-N -1 1 386.460 1.265 20 0 GDADMM CC(C)CC[C@H](NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C(C)(C)C ZINC001574184858 950787214 /nfs/dbraw/zinc/78/72/14/950787214.db2.gz PDZSIAZQLHZCHX-LBPRGKRZSA-N -1 1 377.449 1.096 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cc(C2CC2)no1 ZINC001575930218 950795697 /nfs/dbraw/zinc/79/56/97/950795697.db2.gz FBNYXTDVJSMQLI-MWLCHTKSSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(C2CC2)no1 ZINC001575930218 950795710 /nfs/dbraw/zinc/79/57/10/950795710.db2.gz FBNYXTDVJSMQLI-MWLCHTKSSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@H]1[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)CCN1C(=O)c1cncnc1 ZINC001575931200 950807292 /nfs/dbraw/zinc/80/72/92/950807292.db2.gz HLEGRQYPASZDFA-CBAPKCEASA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCN1C(=O)c1cncnc1 ZINC001575931200 950807314 /nfs/dbraw/zinc/80/73/14/950807314.db2.gz HLEGRQYPASZDFA-CBAPKCEASA-N -1 1 391.848 1.482 20 0 GDADMM CC(C)(C)c1ccccc1C(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573885152 950819145 /nfs/dbraw/zinc/81/91/45/950819145.db2.gz UGJVASKJLKIFKC-UHFFFAOYSA-N -1 1 392.467 1.917 20 0 GDADMM CC(C)(C)c1ccccc1C(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573885152 950819169 /nfs/dbraw/zinc/81/91/69/950819169.db2.gz UGJVASKJLKIFKC-UHFFFAOYSA-N -1 1 392.467 1.917 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001575932234 950823319 /nfs/dbraw/zinc/82/33/19/950823319.db2.gz KXCOWKRKQPDGTF-QXFSXQSWSA-N -1 1 380.456 1.350 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001575932234 950823341 /nfs/dbraw/zinc/82/33/41/950823341.db2.gz KXCOWKRKQPDGTF-QXFSXQSWSA-N -1 1 380.456 1.350 20 0 GDADMM CC(C)(C)c1nc[nH]c1C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573885504 950827941 /nfs/dbraw/zinc/82/79/41/950827941.db2.gz STEBWHOHVISOFL-JTQLQIEISA-N -1 1 382.432 1.004 20 0 GDADMM CC(C)CCCC(=O)N1CCCO[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574187837 950838205 /nfs/dbraw/zinc/83/82/05/950838205.db2.gz QZXNAKYCYFWEEU-CQSZACIVSA-N -1 1 388.476 1.512 20 0 GDADMM CC(C)CCCC(=O)N1CCCO[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574187837 950838225 /nfs/dbraw/zinc/83/82/25/950838225.db2.gz QZXNAKYCYFWEEU-CQSZACIVSA-N -1 1 388.476 1.512 20 0 GDADMM CC1(C)C[C@H](NC(=O)[C@H]2CC2(F)F)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575638559 950838385 /nfs/dbraw/zinc/83/83/85/950838385.db2.gz HTCZOUHGUYDTHR-GHMZBOCLSA-N -1 1 392.414 1.423 20 0 GDADMM CC1(C)C[C@H](NC(=O)[C@H]2CC2(F)F)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575638559 950838406 /nfs/dbraw/zinc/83/84/06/950838406.db2.gz HTCZOUHGUYDTHR-GHMZBOCLSA-N -1 1 392.414 1.423 20 0 GDADMM CC1(C)CC(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575639245 950861609 /nfs/dbraw/zinc/86/16/09/950861609.db2.gz PWHQZAKGVZGNMD-IPYPFGDCSA-N -1 1 382.472 1.709 20 0 GDADMM CC1(C)CC(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575639245 950861624 /nfs/dbraw/zinc/86/16/24/950861624.db2.gz PWHQZAKGVZGNMD-IPYPFGDCSA-N -1 1 382.472 1.709 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cccc2cc[nH]c21 ZINC001575935705 950888518 /nfs/dbraw/zinc/88/85/18/950888518.db2.gz AMIULGCHQDGZIY-BXUZGUMPSA-N -1 1 389.423 1.853 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cccc2cc[nH]c21 ZINC001575935705 950888541 /nfs/dbraw/zinc/88/85/41/950888541.db2.gz AMIULGCHQDGZIY-BXUZGUMPSA-N -1 1 389.423 1.853 20 0 GDADMM C[C@@H]1[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCN1C(=O)c1ccon1 ZINC001575935784 950894797 /nfs/dbraw/zinc/89/47/97/950894797.db2.gz YRWTUKRAXGQALL-RQJHMYQMSA-N -1 1 380.821 1.680 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCCC(F)(F)F ZINC001575936706 950920752 /nfs/dbraw/zinc/92/07/52/950920752.db2.gz HSRICMCZPVAHHC-UWVGGRQHSA-N -1 1 384.366 1.791 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCCC(F)(F)F ZINC001575936706 950920762 /nfs/dbraw/zinc/92/07/62/950920762.db2.gz HSRICMCZPVAHHC-UWVGGRQHSA-N -1 1 384.366 1.791 20 0 GDADMM O=C([O-])CC1(C(=O)Nc2cccc(S(=O)(=O)Nc3ncccn3)c2)CCC1 ZINC001594977304 950937065 /nfs/dbraw/zinc/93/70/65/950937065.db2.gz SEGPKWGQOHTYLP-UHFFFAOYSA-N -1 1 390.421 1.861 20 0 GDADMM CC(C)(CC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1)CC(F)F ZINC001573895498 950938881 /nfs/dbraw/zinc/93/88/81/950938881.db2.gz BVMPAIPICZNEDU-UHFFFAOYSA-N -1 1 380.403 1.789 20 0 GDADMM CC(C)(CC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1)CC(F)F ZINC001573895498 950938890 /nfs/dbraw/zinc/93/88/90/950938890.db2.gz BVMPAIPICZNEDU-UHFFFAOYSA-N -1 1 380.403 1.789 20 0 GDADMM CC(C)(CC(=O)N[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C)C1CC1 ZINC001573895582 950940927 /nfs/dbraw/zinc/94/09/27/950940927.db2.gz DJDBYGXWNIXMTF-AWEZNQCLSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(CC(=O)N[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C)C1CC1 ZINC001573895582 950940938 /nfs/dbraw/zinc/94/09/38/950940938.db2.gz DJDBYGXWNIXMTF-AWEZNQCLSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H]1CN(C(=O)C2CC3(CCC3)C2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576229696 950977913 /nfs/dbraw/zinc/97/79/13/950977913.db2.gz NWZUAGLDDMJCHJ-OCCSQVGLSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@@H]1CN(C(=O)C2CC3(CCC3)C2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576229696 950977926 /nfs/dbraw/zinc/97/79/26/950977926.db2.gz NWZUAGLDDMJCHJ-OCCSQVGLSA-N -1 1 382.472 1.743 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573899524 950981050 /nfs/dbraw/zinc/98/10/50/950981050.db2.gz BRUDVZQQOSMSSA-MCIONIFRSA-N -1 1 382.472 1.709 20 0 GDADMM CC(C)(C)OC(=O)NC(C)(C)CC(=O)[N-]Oc1cccc(-c2nn[nH]n2)c1 ZINC001573899677 950984035 /nfs/dbraw/zinc/98/40/35/950984035.db2.gz IMHFVDGDUWMRDV-UHFFFAOYSA-N -1 1 376.417 1.970 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573899736 950989153 /nfs/dbraw/zinc/98/91/53/950989153.db2.gz JFZOATWCLNSYEY-UHFFFAOYSA-N -1 1 384.366 1.284 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573899736 950989166 /nfs/dbraw/zinc/98/91/66/950989166.db2.gz JFZOATWCLNSYEY-UHFFFAOYSA-N -1 1 384.366 1.284 20 0 GDADMM CC(C)(CC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccccc1 ZINC001573900157 950997262 /nfs/dbraw/zinc/99/72/62/950997262.db2.gz RPLZXLAMMRKZTN-HNNXBMFYSA-N -1 1 392.467 1.720 20 0 GDADMM CC(C)(CC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccccc1 ZINC001573900157 950997284 /nfs/dbraw/zinc/99/72/84/950997284.db2.gz RPLZXLAMMRKZTN-HNNXBMFYSA-N -1 1 392.467 1.720 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(C)(C)C)cn1)Nc1nccnc1-c1nnn[n-]1 ZINC001575017641 951005347 /nfs/dbraw/zinc/00/53/47/951005347.db2.gz IIDSKEQRCRXGAY-LLVKDONJSA-N -1 1 381.444 1.580 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(C)(C)C)cn1)Nc1nccnc1-c1nn[n-]n1 ZINC001575017641 951005370 /nfs/dbraw/zinc/00/53/70/951005370.db2.gz IIDSKEQRCRXGAY-LLVKDONJSA-N -1 1 381.444 1.580 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(C)(C)C)cn1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575020088 951049666 /nfs/dbraw/zinc/04/96/66/951049666.db2.gz XWAPEBSIQXEBKQ-LLVKDONJSA-N -1 1 381.444 1.580 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(C)(C)C)cn1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575020088 951049679 /nfs/dbraw/zinc/04/96/79/951049679.db2.gz XWAPEBSIQXEBKQ-LLVKDONJSA-N -1 1 381.444 1.580 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)c(Cl)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575022109 951070330 /nfs/dbraw/zinc/07/03/30/951070330.db2.gz HLDODUFFPYXFBU-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)c(Cl)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575022109 951070335 /nfs/dbraw/zinc/07/03/35/951070335.db2.gz HLDODUFFPYXFBU-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCCC2)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575024324 951099937 /nfs/dbraw/zinc/09/99/37/951099937.db2.gz AXAFIJBIRNBACI-ZDUSSCGKSA-N -1 1 392.467 1.790 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCCC2)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575024324 951099953 /nfs/dbraw/zinc/09/99/53/951099953.db2.gz AXAFIJBIRNBACI-ZDUSSCGKSA-N -1 1 392.467 1.790 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCC2)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575025019 951122738 /nfs/dbraw/zinc/12/27/38/951122738.db2.gz RVLFAGVDTWKLOY-GFCCVEGCSA-N -1 1 378.440 1.623 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCC2)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575025019 951122748 /nfs/dbraw/zinc/12/27/48/951122748.db2.gz RVLFAGVDTWKLOY-GFCCVEGCSA-N -1 1 378.440 1.623 20 0 GDADMM CC(C)Oc1ccc(C(=O)NC[C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001575025317 951127802 /nfs/dbraw/zinc/12/78/02/951127802.db2.gz XZVYCRCAMXXNBD-GFCCVEGCSA-N -1 1 382.428 1.674 20 0 GDADMM CC(C)Oc1ccc(C(=O)NC[C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001575025317 951127810 /nfs/dbraw/zinc/12/78/10/951127810.db2.gz XZVYCRCAMXXNBD-GFCCVEGCSA-N -1 1 382.428 1.674 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(N(C)C)cc1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575025305 951128564 /nfs/dbraw/zinc/12/85/64/951128564.db2.gz XPFOTYDWXSJXKR-GFCCVEGCSA-N -1 1 381.444 1.201 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(N(C)C)cc1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575025305 951128570 /nfs/dbraw/zinc/12/85/70/951128570.db2.gz XPFOTYDWXSJXKR-GFCCVEGCSA-N -1 1 381.444 1.201 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2c1CCC2)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575028209 951170684 /nfs/dbraw/zinc/17/06/84/951170684.db2.gz MDOQPHCTAQTDBL-LBPRGKRZSA-N -1 1 378.440 1.400 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2c1CCC2)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575028209 951170686 /nfs/dbraw/zinc/17/06/86/951170686.db2.gz MDOQPHCTAQTDBL-LBPRGKRZSA-N -1 1 378.440 1.400 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2c1O[C@H](C)C2)Nc1nccnc1-c1nnn[n-]1 ZINC001575029372 951187569 /nfs/dbraw/zinc/18/75/69/951187569.db2.gz TVTWAXTYANMTGW-WDEREUQCSA-N -1 1 380.412 1.211 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2c1O[C@H](C)C2)Nc1nccnc1-c1nn[n-]n1 ZINC001575029372 951187577 /nfs/dbraw/zinc/18/75/77/951187577.db2.gz TVTWAXTYANMTGW-WDEREUQCSA-N -1 1 380.412 1.211 20 0 GDADMM CC(C)Oc1ncccc1C(=O)NC[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575031509 951196970 /nfs/dbraw/zinc/19/69/70/951196970.db2.gz BUIBYRLRYLLLQS-NSHDSACASA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1ncccc1C(=O)NC[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575031509 951196978 /nfs/dbraw/zinc/19/69/78/951196978.db2.gz BUIBYRLRYLLLQS-NSHDSACASA-N -1 1 383.416 1.069 20 0 GDADMM C[C@H](CNC(=O)c1cccnc1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001575031807 951205250 /nfs/dbraw/zinc/20/52/50/951205250.db2.gz JLCPKRVKNXXBOL-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@H](CNC(=O)c1cccnc1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001575031807 951205267 /nfs/dbraw/zinc/20/52/67/951205267.db2.gz JLCPKRVKNXXBOL-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@@H](CNC(=O)c1cccn1C)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575032170 951218231 /nfs/dbraw/zinc/21/82/31/951218231.db2.gz SILMOMBHCQXREA-QMMMGPOBSA-N -1 1 380.865 1.793 20 0 GDADMM C[C@@H](CNC(=O)c1cccn1C)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575032170 951218240 /nfs/dbraw/zinc/21/82/40/951218240.db2.gz SILMOMBHCQXREA-QMMMGPOBSA-N -1 1 380.865 1.793 20 0 GDADMM C[C@@H](CNC(=O)c1ccncc1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575034182 951241141 /nfs/dbraw/zinc/24/11/41/951241141.db2.gz IYBHRMRYTBKZPV-QMMMGPOBSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@@H](CNC(=O)c1ccncc1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575034182 951241153 /nfs/dbraw/zinc/24/11/53/951241153.db2.gz IYBHRMRYTBKZPV-QMMMGPOBSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@@H](CNC(=O)c1ccnnc1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575034458 951247206 /nfs/dbraw/zinc/24/72/06/951247206.db2.gz NEADFGRPGDVMGH-ZETCQYMHSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@@H](CNC(=O)c1ccnnc1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575034458 951247215 /nfs/dbraw/zinc/24/72/15/951247215.db2.gz NEADFGRPGDVMGH-ZETCQYMHSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@@H](CNC(=O)c1ccncn1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575034653 951253137 /nfs/dbraw/zinc/25/31/37/951253137.db2.gz PIEUXRBIQXAWKE-ZETCQYMHSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1ccncn1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575034911 951260275 /nfs/dbraw/zinc/26/02/75/951260275.db2.gz QLDKEPOZYLVXPE-ZETCQYMHSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@H](CNC(=O)c1ccnn1C1CCCC1)Nc1nccnc1-c1nnn[n-]1 ZINC001575035310 951272524 /nfs/dbraw/zinc/27/25/24/951272524.db2.gz WAXSDDRYJBZHIO-LLVKDONJSA-N -1 1 382.432 1.199 20 0 GDADMM C[C@H](CNC(=O)c1ccnn1C1CCCC1)Nc1nccnc1-c1nn[n-]n1 ZINC001575035310 951272537 /nfs/dbraw/zinc/27/25/37/951272537.db2.gz WAXSDDRYJBZHIO-LLVKDONJSA-N -1 1 382.432 1.199 20 0 GDADMM C[C@H](CNC(=O)c1cnc(CC2CC2)s1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575043037 951380805 /nfs/dbraw/zinc/38/08/05/951380805.db2.gz FRRNSUAGHSYDGB-SECBINFHSA-N -1 1 385.457 1.296 20 0 GDADMM C[C@H](CNC(=O)c1cnc(CC2CC2)s1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575043037 951380817 /nfs/dbraw/zinc/38/08/17/951380817.db2.gz FRRNSUAGHSYDGB-SECBINFHSA-N -1 1 385.457 1.296 20 0 GDADMM C[C@@H](CNC(=O)c1cnc(C(C)(C)C)s1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575043598 951398612 /nfs/dbraw/zinc/39/86/12/951398612.db2.gz KPZNHOOLRLCJSD-VIFPVBQESA-N -1 1 387.473 1.063 20 0 GDADMM C[C@H](CNC(=O)c1cncc(F)c1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575045547 951427036 /nfs/dbraw/zinc/42/70/36/951427036.db2.gz CWWFYKYNSKYBKB-ZCFIWIBFSA-N -1 1 382.812 1.741 20 0 GDADMM C[C@H](CNC(=O)c1cncc(F)c1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575045547 951427041 /nfs/dbraw/zinc/42/70/41/951427041.db2.gz CWWFYKYNSKYBKB-ZCFIWIBFSA-N -1 1 382.812 1.741 20 0 GDADMM CC(C)n1ncc(C(=O)NC[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)c1Cl ZINC001575052181 951458517 /nfs/dbraw/zinc/45/85/17/951458517.db2.gz FMDLUEUPXUQHKP-VIFPVBQESA-N -1 1 390.839 1.318 20 0 GDADMM CC(C)n1ncc(C(=O)NC[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)c1Cl ZINC001575052181 951458525 /nfs/dbraw/zinc/45/85/25/951458525.db2.gz FMDLUEUPXUQHKP-VIFPVBQESA-N -1 1 390.839 1.318 20 0 GDADMM C[C@@H](CNC(=O)c1cnsn1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575053231 951477038 /nfs/dbraw/zinc/47/70/38/951477038.db2.gz AMHNEHZIZRDFDU-YFKPBYRVSA-N -1 1 385.866 1.306 20 0 GDADMM C[C@@H](CNC(=O)c1cnsn1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575053231 951477054 /nfs/dbraw/zinc/47/70/54/951477054.db2.gz AMHNEHZIZRDFDU-YFKPBYRVSA-N -1 1 385.866 1.306 20 0 GDADMM C[C@@H](CNC(=O)c1csc(=O)[nH]1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575057028 951525367 /nfs/dbraw/zinc/52/53/67/951525367.db2.gz NXRBSRQKLABUIO-BYPYZUCNSA-N -1 1 386.850 1.369 20 0 GDADMM C[C@H](CNC(=O)c1conc1C1CCCC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575056984 951525564 /nfs/dbraw/zinc/52/55/64/951525564.db2.gz NLOSEHPHWYSCBA-SNVBAGLBSA-N -1 1 383.416 1.533 20 0 GDADMM C[C@H](CNC(=O)c1conc1C1CCCC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575056984 951525572 /nfs/dbraw/zinc/52/55/72/951525572.db2.gz NLOSEHPHWYSCBA-SNVBAGLBSA-N -1 1 383.416 1.533 20 0 GDADMM C[C@H](CNC(=O)c1csc2c1CCCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575060591 951542872 /nfs/dbraw/zinc/54/28/72/951542872.db2.gz AKSFFJINGMQTEF-SNVBAGLBSA-N -1 1 384.469 1.827 20 0 GDADMM C[C@H](CNC(=O)c1csc2c1CCCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575060591 951542886 /nfs/dbraw/zinc/54/28/86/951542886.db2.gz AKSFFJINGMQTEF-SNVBAGLBSA-N -1 1 384.469 1.827 20 0 GDADMM C[C@@H](CNC(=O)c1ncc(Cl)s1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575062113 951566629 /nfs/dbraw/zinc/56/66/29/951566629.db2.gz UAIYFXPVDJOIRG-ZETCQYMHSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@@H](CNC(=O)c1ncc(Cl)s1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575062113 951566635 /nfs/dbraw/zinc/56/66/35/951566635.db2.gz UAIYFXPVDJOIRG-ZETCQYMHSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@H](CNC(=O)c1csnn1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575062499 951569306 /nfs/dbraw/zinc/56/93/06/951569306.db2.gz WWYAKYAGKPDMIE-RXMQYKEDSA-N -1 1 385.866 1.306 20 0 GDADMM C[C@H](CNC(=O)c1ncsc1C1CC1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575064773 951578187 /nfs/dbraw/zinc/57/81/87/951578187.db2.gz DDAOUDGSXQDLAS-VIFPVBQESA-N -1 1 385.457 1.469 20 0 GDADMM C[C@H](CNC(=O)c1ncsc1C1CC1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575064773 951578188 /nfs/dbraw/zinc/57/81/88/951578188.db2.gz DDAOUDGSXQDLAS-VIFPVBQESA-N -1 1 385.457 1.469 20 0 GDADMM C[C@H](CNC(=O)c1ncoc1C(C)(C)C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575066112 951591952 /nfs/dbraw/zinc/59/19/52/951591952.db2.gz FOFMZYCPIPIPGY-SNVBAGLBSA-N -1 1 385.432 1.197 20 0 GDADMM C[C@H](CNC(=O)c1ncoc1C(C)(C)C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575066112 951591960 /nfs/dbraw/zinc/59/19/60/951591960.db2.gz FOFMZYCPIPIPGY-SNVBAGLBSA-N -1 1 385.432 1.197 20 0 GDADMM C[C@@H](CNC(=O)c1ncsc1C1CC1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575066911 951602169 /nfs/dbraw/zinc/60/21/69/951602169.db2.gz NPMBNRDGXTUBAP-VIFPVBQESA-N -1 1 385.457 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1ncsc1C1CC1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575066911 951602175 /nfs/dbraw/zinc/60/21/75/951602175.db2.gz NPMBNRDGXTUBAP-VIFPVBQESA-N -1 1 385.457 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1scnc1C(F)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575070901 951655592 /nfs/dbraw/zinc/65/55/92/951655592.db2.gz VMEAIOYQCOCCGD-LURJTMIESA-N -1 1 381.372 1.281 20 0 GDADMM C[C@@H](CNC(=O)c1scnc1C(F)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575070901 951655599 /nfs/dbraw/zinc/65/55/99/951655599.db2.gz VMEAIOYQCOCCGD-LURJTMIESA-N -1 1 381.372 1.281 20 0 GDADMM O=C([O-])CN1CCC[C@H](C(=O)N2CCc3nc[nH]c3[C@@H]2c2ccccc2)C1=O ZINC001595081485 951684122 /nfs/dbraw/zinc/68/41/22/951684122.db2.gz AKJLUSBQGPPUCF-KSSFIOAISA-N -1 1 382.420 1.207 20 0 GDADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)CCC(F)(F)F)C1CC1 ZINC001575128837 952072280 /nfs/dbraw/zinc/07/22/80/952072280.db2.gz NBPYQEWZTFLWRH-CQSZACIVSA-N -1 1 384.366 1.696 20 0 GDADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)CCC(F)(F)F)C1CC1 ZINC001575128837 952072288 /nfs/dbraw/zinc/07/22/88/952072288.db2.gz NBPYQEWZTFLWRH-CQSZACIVSA-N -1 1 384.366 1.696 20 0 GDADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)CC[C@H]1CCCO1)C1CC1 ZINC001575129220 952077281 /nfs/dbraw/zinc/07/72/81/952077281.db2.gz RHLUMIJDVNTHFG-ACJLOTCBSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)CC[C@H]1CCCO1)C1CC1 ZINC001575129220 952077287 /nfs/dbraw/zinc/07/72/87/952077287.db2.gz RHLUMIJDVNTHFG-ACJLOTCBSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@H]1Cc2ccc(F)cc21 ZINC001575131861 952088604 /nfs/dbraw/zinc/08/86/04/952088604.db2.gz BYINNNHYFOKEJD-HZMBPMFUSA-N -1 1 382.403 1.395 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@H]1Cc2ccc(F)cc21 ZINC001575131861 952088609 /nfs/dbraw/zinc/08/86/09/952088609.db2.gz BYINNNHYFOKEJD-HZMBPMFUSA-N -1 1 382.403 1.395 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001575131865 952088713 /nfs/dbraw/zinc/08/87/13/952088713.db2.gz BYINNNHYFOKEJD-QMTHXVAHSA-N -1 1 382.403 1.395 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001575131865 952088719 /nfs/dbraw/zinc/08/87/19/952088719.db2.gz BYINNNHYFOKEJD-QMTHXVAHSA-N -1 1 382.403 1.395 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)Cc1cccc(C2CC2)c1 ZINC001575142205 952146727 /nfs/dbraw/zinc/14/67/27/952146727.db2.gz KGRKMQFXODOEOR-ZDUSSCGKSA-N -1 1 392.467 1.458 20 0 GDADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)C[C@@H]1C[C@H]1C1CC1)C1CC1 ZINC001575143961 952159584 /nfs/dbraw/zinc/15/95/84/952159584.db2.gz STIQMRZQASFPKA-PJFSTRORSA-N -1 1 382.472 1.212 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C1(C(F)F)CCCC1 ZINC001575144487 952168154 /nfs/dbraw/zinc/16/81/54/952168154.db2.gz VYDAEQWJTQCVID-JTQLQIEISA-N -1 1 380.403 1.163 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1csc(Cl)c1 ZINC001575144812 952172014 /nfs/dbraw/zinc/17/20/14/952172014.db2.gz MBITYQZHDWTTNZ-QMMMGPOBSA-N -1 1 378.849 1.366 20 0 GDADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)[C@H]1Cc2ccccc21)C1CC1 ZINC001575145598 952187672 /nfs/dbraw/zinc/18/76/72/952187672.db2.gz ATENEHOOWDMUCO-YWZLYKJASA-N -1 1 390.451 1.693 20 0 GDADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)[C@H]1Cc2ccccc21)C1CC1 ZINC001575145598 952187678 /nfs/dbraw/zinc/18/76/78/952187678.db2.gz ATENEHOOWDMUCO-YWZLYKJASA-N -1 1 390.451 1.693 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)CC(C)(C)C(F)(F)F ZINC001575154294 952219762 /nfs/dbraw/zinc/21/97/62/952219762.db2.gz QXOJAIZUDMJLNA-SECBINFHSA-N -1 1 386.382 1.894 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)CC(C)(C)C(F)(F)F ZINC001575154294 952219769 /nfs/dbraw/zinc/21/97/69/952219769.db2.gz QXOJAIZUDMJLNA-SECBINFHSA-N -1 1 386.382 1.894 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)COc1ccccc1F ZINC001575154600 952228217 /nfs/dbraw/zinc/22/82/17/952228217.db2.gz UAYGNFFSXHXCJQ-NSHDSACASA-N -1 1 386.391 1.134 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)COc1ccccc1F ZINC001575154600 952228226 /nfs/dbraw/zinc/22/82/26/952228226.db2.gz UAYGNFFSXHXCJQ-NSHDSACASA-N -1 1 386.391 1.134 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H]1CCc2cccnc21 ZINC001575155817 952246129 /nfs/dbraw/zinc/24/61/29/952246129.db2.gz AJIDSQUZLZSFOF-DGCLKSJQSA-N -1 1 379.428 1.041 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCc2cccnc21 ZINC001575155817 952246137 /nfs/dbraw/zinc/24/61/37/952246137.db2.gz AJIDSQUZLZSFOF-DGCLKSJQSA-N -1 1 379.428 1.041 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)C1(C(F)(F)F)CCC1 ZINC001575156198 952248855 /nfs/dbraw/zinc/24/88/55/952248855.db2.gz QSLSUWAYHUUHKT-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)C1(C(F)(F)F)CCC1 ZINC001575156198 952248861 /nfs/dbraw/zinc/24/88/61/952248861.db2.gz QSLSUWAYHUUHKT-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cnn(C2CCC2)c1 ZINC001575156874 952258385 /nfs/dbraw/zinc/25/83/85/952258385.db2.gz WZXNSQRQCUFJHQ-NSHDSACASA-N -1 1 382.432 1.151 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cnn(C2CCC2)c1 ZINC001575156874 952258391 /nfs/dbraw/zinc/25/83/91/952258391.db2.gz WZXNSQRQCUFJHQ-NSHDSACASA-N -1 1 382.432 1.151 20 0 GDADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)c1cc(Cl)c[nH]1)C1CC1 ZINC001575157233 952261724 /nfs/dbraw/zinc/26/17/24/952261724.db2.gz YIKMZIVMZOCRDY-INIZCTEOSA-N -1 1 387.835 1.649 20 0 GDADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)c1cc(Cl)c[nH]1)C1CC1 ZINC001575157233 952261726 /nfs/dbraw/zinc/26/17/26/952261726.db2.gz YIKMZIVMZOCRDY-INIZCTEOSA-N -1 1 387.835 1.649 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)Cc1ccc2c(c1)CCC2 ZINC001575158918 952274358 /nfs/dbraw/zinc/27/43/58/952274358.db2.gz XJWINDNFKUIMRJ-CYBMUJFWSA-N -1 1 392.467 1.647 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)Cc1ccc2c(c1)CCC2 ZINC001575158918 952274362 /nfs/dbraw/zinc/27/43/62/952274362.db2.gz XJWINDNFKUIMRJ-CYBMUJFWSA-N -1 1 392.467 1.647 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)C1=COCCC1 ZINC001575164108 952286922 /nfs/dbraw/zinc/28/69/22/952286922.db2.gz BPNSPRIICRZFLC-MRVPVSSYSA-N -1 1 383.865 1.930 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)C1=COCCC1 ZINC001575164108 952286928 /nfs/dbraw/zinc/28/69/28/952286928.db2.gz BPNSPRIICRZFLC-MRVPVSSYSA-N -1 1 383.865 1.930 20 0 GDADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)c1ccncc1 ZINC001575164226 952288838 /nfs/dbraw/zinc/28/88/38/952288838.db2.gz CBCNBSNDHJJMAU-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)C1=CCOCC1 ZINC001575164830 952300302 /nfs/dbraw/zinc/30/03/02/952300302.db2.gz ICDLDIJCHQWFTR-QMMMGPOBSA-N -1 1 383.865 1.582 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)C1=CCOCC1 ZINC001575164830 952300310 /nfs/dbraw/zinc/30/03/10/952300310.db2.gz ICDLDIJCHQWFTR-QMMMGPOBSA-N -1 1 383.865 1.582 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)Cc1cccnc1 ZINC001575165087 952305174 /nfs/dbraw/zinc/30/51/74/952305174.db2.gz KMJKBNPQVABSOY-SECBINFHSA-N -1 1 392.876 1.873 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)Cc1cccnc1 ZINC001575165087 952305179 /nfs/dbraw/zinc/30/51/79/952305179.db2.gz KMJKBNPQVABSOY-SECBINFHSA-N -1 1 392.876 1.873 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)C[C@H]1CCCO1 ZINC001575165281 952306703 /nfs/dbraw/zinc/30/67/03/952306703.db2.gz MVRJUVGLALXSHS-DTWKUNHWSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)C[C@H]1CCCO1 ZINC001575165281 952306708 /nfs/dbraw/zinc/30/67/08/952306708.db2.gz MVRJUVGLALXSHS-DTWKUNHWSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)Cn1ccnc1 ZINC001575165397 952307310 /nfs/dbraw/zinc/30/73/10/952307310.db2.gz OMLJIRIEXYQOQC-MRVPVSSYSA-N -1 1 381.853 1.132 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)Cn1ccnc1 ZINC001575166228 952322798 /nfs/dbraw/zinc/32/27/98/952322798.db2.gz TXYDTIUWYOAOOL-MRVPVSSYSA-N -1 1 381.853 1.132 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)Cn1ccnc1 ZINC001575166228 952322805 /nfs/dbraw/zinc/32/28/05/952322805.db2.gz TXYDTIUWYOAOOL-MRVPVSSYSA-N -1 1 381.853 1.132 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC001575173856 952357628 /nfs/dbraw/zinc/35/76/28/952357628.db2.gz BKNZDZCCSVAASX-BQDHKBFISA-N -1 1 390.451 1.501 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC001575173856 952357636 /nfs/dbraw/zinc/35/76/36/952357636.db2.gz BKNZDZCCSVAASX-BQDHKBFISA-N -1 1 390.451 1.501 20 0 GDADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)CC[C@@H]1CCCO1)C1CC1 ZINC001575173878 952358289 /nfs/dbraw/zinc/35/82/89/952358289.db2.gz BYYTVFZEJFVESM-SCLBCKFNSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)CC[C@@H]1CCCO1)C1CC1 ZINC001575173878 952358296 /nfs/dbraw/zinc/35/82/96/952358296.db2.gz BYYTVFZEJFVESM-SCLBCKFNSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)C1(c2ccccn2)CC1 ZINC001575173976 952362134 /nfs/dbraw/zinc/36/21/34/952362134.db2.gz DQBLBPJPRBHNOZ-GFCCVEGCSA-N -1 1 379.428 1.042 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)C1(c2ccccn2)CC1 ZINC001575173976 952362143 /nfs/dbraw/zinc/36/21/43/952362143.db2.gz DQBLBPJPRBHNOZ-GFCCVEGCSA-N -1 1 379.428 1.042 20 0 GDADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)C=Cc1ccco1)C1CC1 ZINC001575174222 952368256 /nfs/dbraw/zinc/36/82/56/952368256.db2.gz JWJFFPYVICFAPT-IPLHWJFFSA-N -1 1 380.412 1.660 20 0 GDADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)C=Cc1ccco1)C1CC1 ZINC001575174222 952368260 /nfs/dbraw/zinc/36/82/60/952368260.db2.gz JWJFFPYVICFAPT-IPLHWJFFSA-N -1 1 380.412 1.660 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)CCc1ccccc1F ZINC001575174415 952372360 /nfs/dbraw/zinc/37/23/60/952372360.db2.gz NTXQUTRZKLGOJM-LBPRGKRZSA-N -1 1 384.419 1.687 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)CCc1ccccc1F ZINC001575174415 952372369 /nfs/dbraw/zinc/37/23/69/952372369.db2.gz NTXQUTRZKLGOJM-LBPRGKRZSA-N -1 1 384.419 1.687 20 0 GDADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)C1C=CC=CC=C1)C1CC1 ZINC001575174587 952375654 /nfs/dbraw/zinc/37/56/54/952375654.db2.gz QXGCUOKZGSFWIH-LJQANCHMSA-N -1 1 378.440 1.652 20 0 GDADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)C1C=CC=CC=C1)C1CC1 ZINC001575174587 952375660 /nfs/dbraw/zinc/37/56/60/952375660.db2.gz QXGCUOKZGSFWIH-LJQANCHMSA-N -1 1 378.440 1.652 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@]1(C)CCc2ccccc21 ZINC001575174767 952380433 /nfs/dbraw/zinc/38/04/33/952380433.db2.gz SKTHMHGWBHUYEZ-ZUOKHONESA-N -1 1 392.467 1.820 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@]1(C)CCc2ccccc21 ZINC001575174767 952380441 /nfs/dbraw/zinc/38/04/41/952380441.db2.gz SKTHMHGWBHUYEZ-ZUOKHONESA-N -1 1 392.467 1.820 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)CC(C)(C)C(F)(F)F ZINC001575175151 952382185 /nfs/dbraw/zinc/38/21/85/952382185.db2.gz VIMNECVZMPOOSW-SECBINFHSA-N -1 1 386.382 1.894 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)CC(C)(C)C(F)(F)F ZINC001575175151 952382194 /nfs/dbraw/zinc/38/21/94/952382194.db2.gz VIMNECVZMPOOSW-SECBINFHSA-N -1 1 386.382 1.894 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001575177475 952400904 /nfs/dbraw/zinc/40/09/04/952400904.db2.gz HRRZHOMKOZSWLL-CFVMTHIKSA-N -1 1 378.440 1.719 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001575177475 952400906 /nfs/dbraw/zinc/40/09/06/952400906.db2.gz HRRZHOMKOZSWLL-CFVMTHIKSA-N -1 1 378.440 1.719 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)C[C@@H]1CCCO1 ZINC001575178171 952405102 /nfs/dbraw/zinc/40/51/02/952405102.db2.gz LBMCVDQEJMUHBP-IUCAKERBSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)C[C@@H]1CCCO1 ZINC001575178171 952405108 /nfs/dbraw/zinc/40/51/08/952405108.db2.gz LBMCVDQEJMUHBP-IUCAKERBSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)Cc1ccc(Cl)cc1 ZINC001575179510 952411570 /nfs/dbraw/zinc/41/15/70/952411570.db2.gz PTJSFSLYHMUWMD-NSHDSACASA-N -1 1 386.847 1.812 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)Cc1ccc(Cl)cc1 ZINC001575179510 952411573 /nfs/dbraw/zinc/41/15/73/952411573.db2.gz PTJSFSLYHMUWMD-NSHDSACASA-N -1 1 386.847 1.812 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1csc(Cl)n1 ZINC001575180200 952415604 /nfs/dbraw/zinc/41/56/04/952415604.db2.gz TUKFAGMRDISFGX-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1csc(Cl)n1 ZINC001575180200 952415605 /nfs/dbraw/zinc/41/56/05/952415605.db2.gz TUKFAGMRDISFGX-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@](CO)(NC(=O)c1ccc(-c2nn[n-]n2)o1)c1ccc(Br)cc1 ZINC001575180246 952417155 /nfs/dbraw/zinc/41/71/55/952417155.db2.gz YUPOCQGAJPVADZ-OAHLLOKOSA-N -1 1 392.213 1.860 20 0 GDADMM C[C@](CO)(NC(=O)c1ccc(-c2nnn[n-]2)o1)c1ccc(Br)cc1 ZINC001575180246 952417153 /nfs/dbraw/zinc/41/71/53/952417153.db2.gz YUPOCQGAJPVADZ-OAHLLOKOSA-N -1 1 392.213 1.860 20 0 GDADMM C[C@@H](Cc1cccc(F)c1)C(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001575187944 952444659 /nfs/dbraw/zinc/44/46/59/952444659.db2.gz FZEAXARUJVNBLL-LBPRGKRZSA-N -1 1 384.419 1.545 20 0 GDADMM C[C@@H](Cc1cccc(F)c1)C(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001575187944 952444662 /nfs/dbraw/zinc/44/46/62/952444662.db2.gz FZEAXARUJVNBLL-LBPRGKRZSA-N -1 1 384.419 1.545 20 0 GDADMM CC(=O)N1CC[C@H](C(F)(F)F)[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571114336 952453287 /nfs/dbraw/zinc/45/32/87/952453287.db2.gz GXVMNZPJQVKMHI-IUCAKERBSA-N -1 1 375.380 1.843 20 0 GDADMM CC(C)S(=O)(=O)c1ccc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC001571117074 952479839 /nfs/dbraw/zinc/47/98/39/952479839.db2.gz GNAORFFUDMVGFQ-UHFFFAOYSA-N -1 1 375.414 1.035 20 0 GDADMM CC(C)S(=O)(=O)c1ccc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC001571117074 952479842 /nfs/dbraw/zinc/47/98/42/952479842.db2.gz GNAORFFUDMVGFQ-UHFFFAOYSA-N -1 1 375.414 1.035 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001575197158 952481065 /nfs/dbraw/zinc/48/10/65/952481065.db2.gz OHEGWAJGYPTFQT-YWPYICTPSA-N -1 1 382.428 1.069 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001575197158 952481069 /nfs/dbraw/zinc/48/10/69/952481069.db2.gz OHEGWAJGYPTFQT-YWPYICTPSA-N -1 1 382.428 1.069 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575197408 952484910 /nfs/dbraw/zinc/48/49/10/952484910.db2.gz VMRANBWIVIEDSH-STQMWFEESA-N -1 1 382.428 1.214 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575197408 952484913 /nfs/dbraw/zinc/48/49/13/952484913.db2.gz VMRANBWIVIEDSH-STQMWFEESA-N -1 1 382.428 1.214 20 0 GDADMM Cc1nsc(N2CCN(C(=O)c3ccsc3C)CC2)c1-c1nn[n-]n1 ZINC001571120822 952510001 /nfs/dbraw/zinc/51/00/01/952510001.db2.gz RGNXLPUYYRESOI-UHFFFAOYSA-N -1 1 375.483 1.964 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N(C)[C@H]2CCCN(C(=O)[C@H](F)CC)C2)n1 ZINC001571124050 952533498 /nfs/dbraw/zinc/53/34/98/952533498.db2.gz YBCHTTHEAKAIOT-NWDGAFQWSA-N -1 1 376.440 1.394 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N(C)[C@H]2CCCN(C(=O)[C@H](F)CC)C2)n1 ZINC001571124050 952533503 /nfs/dbraw/zinc/53/35/03/952533503.db2.gz YBCHTTHEAKAIOT-NWDGAFQWSA-N -1 1 376.440 1.394 20 0 GDADMM CS[C@@H](C)C(=O)N1CCC[C@H]1CN(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001571124021 952533786 /nfs/dbraw/zinc/53/37/86/952533786.db2.gz XFCANKZKBMWIDO-RYUDHWBXSA-N -1 1 376.490 1.144 20 0 GDADMM CS[C@@H](C)C(=O)N1CCC[C@H]1CN(C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001571124021 952533790 /nfs/dbraw/zinc/53/37/90/952533790.db2.gz XFCANKZKBMWIDO-RYUDHWBXSA-N -1 1 376.490 1.144 20 0 GDADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@@H]1CCN(C(=O)C2(C(F)F)CC2)C1 ZINC001571129533 952575029 /nfs/dbraw/zinc/57/50/29/952575029.db2.gz GISDXRJZPSYVMQ-NXEZZACHSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)C2(C(F)F)CC2)C1 ZINC001571129533 952575034 /nfs/dbraw/zinc/57/50/34/952575034.db2.gz GISDXRJZPSYVMQ-NXEZZACHSA-N -1 1 378.387 1.351 20 0 GDADMM COC(=O)[C@@H]1[C@H](CNc2cc(C(F)(F)F)cc(-c3nnn[n-]3)n2)C1(F)F ZINC001571129795 952576543 /nfs/dbraw/zinc/57/65/43/952576543.db2.gz JFLPGYAIRKUBBB-RCOVLWMOSA-N -1 1 378.261 1.747 20 0 GDADMM COC(=O)[C@@H]1[C@H](CNc2cc(C(F)(F)F)cc(-c3nn[n-]n3)n2)C1(F)F ZINC001571129795 952576545 /nfs/dbraw/zinc/57/65/45/952576545.db2.gz JFLPGYAIRKUBBB-RCOVLWMOSA-N -1 1 378.261 1.747 20 0 GDADMM O=C([C@@H]1CC1(F)F)N1CCC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571130021 952578402 /nfs/dbraw/zinc/57/84/02/952578402.db2.gz MZNDVPSNAHYRDJ-QWRGUYRKSA-N -1 1 378.387 1.353 20 0 GDADMM O=C([C@@H]1CC1(F)F)N1CCC[C@@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571130021 952578404 /nfs/dbraw/zinc/57/84/04/952578404.db2.gz MZNDVPSNAHYRDJ-QWRGUYRKSA-N -1 1 378.387 1.353 20 0 GDADMM CC1(C)CN(c2ccc(-c3nnn[n-]3)nn2)CC[C@H]1NC(=O)[C@@H]1CC1(F)F ZINC001571130169 952578862 /nfs/dbraw/zinc/57/88/62/952578862.db2.gz PCNVFWXMHQBKLG-GXSJLCMTSA-N -1 1 378.387 1.033 20 0 GDADMM CC1(C)CN(c2ccc(-c3nn[n-]n3)nn2)CC[C@H]1NC(=O)[C@@H]1CC1(F)F ZINC001571130169 952578866 /nfs/dbraw/zinc/57/88/66/952578866.db2.gz PCNVFWXMHQBKLG-GXSJLCMTSA-N -1 1 378.387 1.033 20 0 GDADMM Cc1c(Br)ccnc1NC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001571130570 952580313 /nfs/dbraw/zinc/58/03/13/952580313.db2.gz UAXJSZGTBNWJAI-SSDOTTSWSA-N -1 1 378.194 1.124 20 0 GDADMM O=C([C@H]1CCC1(F)F)N1CCCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571130522 952580604 /nfs/dbraw/zinc/58/06/04/952580604.db2.gz SFSCBCPWUAZYRV-GHMZBOCLSA-N -1 1 378.387 1.495 20 0 GDADMM O=C([C@H]1CCC1(F)F)N1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571130522 952580611 /nfs/dbraw/zinc/58/06/11/952580611.db2.gz SFSCBCPWUAZYRV-GHMZBOCLSA-N -1 1 378.387 1.495 20 0 GDADMM CC1(Nc2ccc(-c3nnn[n-]3)nn2)CCN(C(=O)C2(C(F)F)CC2)CC1 ZINC001571130896 952582463 /nfs/dbraw/zinc/58/24/63/952582463.db2.gz XVSDXPSFTGEDQD-UHFFFAOYSA-N -1 1 378.387 1.495 20 0 GDADMM CC1(Nc2ccc(-c3nn[n-]n3)nn2)CCN(C(=O)C2(C(F)F)CC2)CC1 ZINC001571130896 952582468 /nfs/dbraw/zinc/58/24/68/952582468.db2.gz XVSDXPSFTGEDQD-UHFFFAOYSA-N -1 1 378.387 1.495 20 0 GDADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)[C@@H]1CCN(C(=O)C2C=CC=CC=C2)C1 ZINC001571134230 952587167 /nfs/dbraw/zinc/58/71/67/952587167.db2.gz COILLKGSXCXSJB-DZGCQCFKSA-N -1 1 378.440 1.604 20 0 GDADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)C2C=CC=CC=C2)C1 ZINC001571134230 952587170 /nfs/dbraw/zinc/58/71/70/952587170.db2.gz COILLKGSXCXSJB-DZGCQCFKSA-N -1 1 378.440 1.604 20 0 GDADMM Cc1cccc(C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)c1C ZINC001571134214 952587803 /nfs/dbraw/zinc/58/78/03/952587803.db2.gz GHTCNHBLOSCNFA-AWEZNQCLSA-N -1 1 378.440 1.672 20 0 GDADMM Cc1cccc(C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)c1C ZINC001571134214 952587805 /nfs/dbraw/zinc/58/78/05/952587805.db2.gz GHTCNHBLOSCNFA-AWEZNQCLSA-N -1 1 378.440 1.672 20 0 GDADMM Cc1cccc(C(=O)N2C[C@H](C)[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571134266 952588950 /nfs/dbraw/zinc/58/89/50/952588950.db2.gz GSBNRFJWJBAMMU-ZFWWWQNUSA-N -1 1 378.440 1.785 20 0 GDADMM Cc1cccc(C(=O)N2C[C@H](C)[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571134266 952588956 /nfs/dbraw/zinc/58/89/56/952588956.db2.gz GSBNRFJWJBAMMU-ZFWWWQNUSA-N -1 1 378.440 1.785 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccccc1 ZINC001571134555 952591410 /nfs/dbraw/zinc/59/14/10/952591410.db2.gz GQTUAKCAAKXQHY-DZGCQCFKSA-N -1 1 378.440 1.863 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccccc1 ZINC001571134555 952591417 /nfs/dbraw/zinc/59/14/17/952591417.db2.gz GQTUAKCAAKXQHY-DZGCQCFKSA-N -1 1 378.440 1.863 20 0 GDADMM C[C@H](C(=O)NC1CC(CNc2nccnc2-c2nnn[n-]2)C1)c1ccccc1 ZINC001571134789 952595366 /nfs/dbraw/zinc/59/53/66/952595366.db2.gz LMRAFZHCLQISHW-OPFPJEHXSA-N -1 1 378.440 1.767 20 0 GDADMM C[C@H](C(=O)NC1CC(CNc2nccnc2-c2nn[n-]n2)C1)c1ccccc1 ZINC001571134789 952595368 /nfs/dbraw/zinc/59/53/68/952595368.db2.gz LMRAFZHCLQISHW-OPFPJEHXSA-N -1 1 378.440 1.767 20 0 GDADMM C[C@H]1CN(C(=O)c2cc[nH]c2)C[C@@H]1Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001571141016 952630574 /nfs/dbraw/zinc/63/05/74/952630574.db2.gz FOCKCPNMWFCENY-CBAPKCEASA-N -1 1 378.849 1.877 20 0 GDADMM Cc1nsc(N[C@H]2C[C@H](NC(=O)c3csc(=O)[nH]3)C2)c1-c1nn[n-]n1 ZINC001571142458 952641746 /nfs/dbraw/zinc/64/17/46/952641746.db2.gz QDCPAOZPTNZFFW-LJGSYFOKSA-N -1 1 378.443 1.167 20 0 GDADMM Cc1ncccc1CC(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571146239 952647511 /nfs/dbraw/zinc/64/75/11/952647511.db2.gz DVVHFUCSFZOGEN-AWEZNQCLSA-N -1 1 379.428 1.006 20 0 GDADMM Cc1ncccc1CC(=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571146239 952647519 /nfs/dbraw/zinc/64/75/19/952647519.db2.gz DVVHFUCSFZOGEN-AWEZNQCLSA-N -1 1 379.428 1.006 20 0 GDADMM CCC1(Nc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)c2ccncc2)CC1 ZINC001571147409 952661074 /nfs/dbraw/zinc/66/10/74/952661074.db2.gz MHVPTMBDRXKQQC-UHFFFAOYSA-N -1 1 379.428 1.549 20 0 GDADMM CCC1(Nc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)c2ccncc2)CC1 ZINC001571147409 952661079 /nfs/dbraw/zinc/66/10/79/952661079.db2.gz MHVPTMBDRXKQQC-UHFFFAOYSA-N -1 1 379.428 1.549 20 0 GDADMM CC1(C)CN(c2nccnc2-c2nnn[n-]2)CC[C@@H]1NC(=O)c1ccccn1 ZINC001571148225 952666284 /nfs/dbraw/zinc/66/62/84/952666284.db2.gz VXEISEANXIQBDN-ZDUSSCGKSA-N -1 1 379.428 1.087 20 0 GDADMM CC1(C)CN(c2nccnc2-c2nn[n-]n2)CC[C@@H]1NC(=O)c1ccccn1 ZINC001571148225 952666285 /nfs/dbraw/zinc/66/62/85/952666285.db2.gz VXEISEANXIQBDN-ZDUSSCGKSA-N -1 1 379.428 1.087 20 0 GDADMM CN(C[C@@H]1CCCCN1C(=O)c1cccnc1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571148274 952666446 /nfs/dbraw/zinc/66/64/46/952666446.db2.gz XYTKKGNBVRTWAH-AWEZNQCLSA-N -1 1 379.428 1.183 20 0 GDADMM CN(C[C@@H]1CCCCN1C(=O)c1cccnc1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571148274 952666448 /nfs/dbraw/zinc/66/64/48/952666448.db2.gz XYTKKGNBVRTWAH-AWEZNQCLSA-N -1 1 379.428 1.183 20 0 GDADMM O=C(NC1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1)c1cn[nH]c1 ZINC001571152202 952680946 /nfs/dbraw/zinc/68/09/46/952680946.db2.gz DPHGOPIJYHVRLW-UHFFFAOYSA-N -1 1 379.837 1.099 20 0 GDADMM O=C(NC1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1)c1cn[nH]c1 ZINC001571152202 952680948 /nfs/dbraw/zinc/68/09/48/952680948.db2.gz DPHGOPIJYHVRLW-UHFFFAOYSA-N -1 1 379.837 1.099 20 0 GDADMM C[C@@H]1C[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CN1C(=O)c1cn[nH]c1 ZINC001571152640 952683290 /nfs/dbraw/zinc/68/32/90/952683290.db2.gz IWJDPTCPKAETRE-SVRRBLITSA-N -1 1 379.837 1.415 20 0 GDADMM CC[C@@H](OC)C(=O)N1CCC[C@H](N(C)c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571152625 952683433 /nfs/dbraw/zinc/68/34/33/952683433.db2.gz IDMOYVMJQFRSEL-NWDGAFQWSA-N -1 1 379.490 1.484 20 0 GDADMM Cc1cncc(C(=O)N2CCCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001571156828 952706106 /nfs/dbraw/zinc/70/61/06/952706106.db2.gz KVGCSINKVVSIPV-CQSZACIVSA-N -1 1 379.428 1.467 20 0 GDADMM Cc1cncc(C(=O)N2CCCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001571156828 952706110 /nfs/dbraw/zinc/70/61/10/952706110.db2.gz KVGCSINKVVSIPV-CQSZACIVSA-N -1 1 379.428 1.467 20 0 GDADMM Cc1cccc(C(=O)N2C[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)[C@H](C)C2)n1 ZINC001571157230 952707363 /nfs/dbraw/zinc/70/73/63/952707363.db2.gz NPQQCTRDRBIMNS-DGCLKSJQSA-N -1 1 379.428 1.180 20 0 GDADMM Cc1cccc(C(=O)N2C[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)[C@H](C)C2)n1 ZINC001571157230 952707365 /nfs/dbraw/zinc/70/73/65/952707365.db2.gz NPQQCTRDRBIMNS-DGCLKSJQSA-N -1 1 379.428 1.180 20 0 GDADMM COc1ccc(C(=O)NC[C@@H]2CCCN2c2nccnc2-c2nnn[n-]2)cc1 ZINC001571157851 952708180 /nfs/dbraw/zinc/70/81/80/952708180.db2.gz AGDNHZZQKIUKPJ-ZDUSSCGKSA-N -1 1 380.412 1.064 20 0 GDADMM COc1ccc(C(=O)NC[C@@H]2CCCN2c2nccnc2-c2nn[n-]n2)cc1 ZINC001571157851 952708185 /nfs/dbraw/zinc/70/81/85/952708185.db2.gz AGDNHZZQKIUKPJ-ZDUSSCGKSA-N -1 1 380.412 1.064 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@H]2CN(C)c2cnc(-c3nnn[n-]3)cn2)ccn1 ZINC001571158118 952710251 /nfs/dbraw/zinc/71/02/51/952710251.db2.gz RIOUCCLYTSWHAP-AWEZNQCLSA-N -1 1 379.428 1.101 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@H]2CN(C)c2cnc(-c3nn[n-]n3)cn2)ccn1 ZINC001571158118 952710257 /nfs/dbraw/zinc/71/02/57/952710257.db2.gz RIOUCCLYTSWHAP-AWEZNQCLSA-N -1 1 379.428 1.101 20 0 GDADMM Cc1cnc(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)c(C)c1 ZINC001571159721 952721661 /nfs/dbraw/zinc/72/16/61/952721661.db2.gz VVIDJQVZSQAAQI-CYBMUJFWSA-N -1 1 379.428 1.067 20 0 GDADMM Cc1occc1C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2 ZINC001571161020 952729892 /nfs/dbraw/zinc/72/98/92/952729892.db2.gz OTZOOVWCYIGAOE-OLZOCXBDSA-N -1 1 380.412 1.133 20 0 GDADMM O=C(c1ccoc1)N1CCC[C@@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001571161388 952732160 /nfs/dbraw/zinc/73/21/60/952732160.db2.gz UGBHOPYCSGWIAO-SFHVURJKSA-N -1 1 380.412 1.382 20 0 GDADMM O=C(c1ccoc1)N1CCC[C@@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001571161388 952732162 /nfs/dbraw/zinc/73/21/62/952732162.db2.gz UGBHOPYCSGWIAO-SFHVURJKSA-N -1 1 380.412 1.382 20 0 GDADMM CC1(C(=O)N2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3N(c3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001571166268 952759977 /nfs/dbraw/zinc/75/99/77/952759977.db2.gz LDLSXUITXYQGJY-ABHRYQDASA-N -1 1 380.456 1.130 20 0 GDADMM CC1(C(=O)N2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3N(c3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001571166268 952759980 /nfs/dbraw/zinc/75/99/80/952759980.db2.gz LDLSXUITXYQGJY-ABHRYQDASA-N -1 1 380.456 1.130 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCCC23CC3)n1 ZINC001571169786 952778454 /nfs/dbraw/zinc/77/84/54/952778454.db2.gz NHPPBAVLSNNHKK-COMQUAJESA-N -1 1 380.456 1.096 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCCC23CC3)n1 ZINC001571169786 952778462 /nfs/dbraw/zinc/77/84/62/952778462.db2.gz NHPPBAVLSNNHKK-COMQUAJESA-N -1 1 380.456 1.096 20 0 GDADMM C[C@H]1C[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CN1C(=O)c1cocn1 ZINC001571172194 952802890 /nfs/dbraw/zinc/80/28/90/952802890.db2.gz OXQVIYPMUHAEFQ-BQBZGAKWSA-N -1 1 380.821 1.680 20 0 GDADMM C[C@@H]1CN(C(=O)c2cnc(C3CC3)o2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571175073 952817144 /nfs/dbraw/zinc/81/71/44/952817144.db2.gz ORGOFPOOWFXXKM-BXKDBHETSA-N -1 1 381.400 1.095 20 0 GDADMM C[C@@H]1CN(C(=O)c2cnc(C3CC3)o2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571175073 952817150 /nfs/dbraw/zinc/81/71/50/952817150.db2.gz ORGOFPOOWFXXKM-BXKDBHETSA-N -1 1 381.400 1.095 20 0 GDADMM O=C(NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cc(C2CC2)on1 ZINC001571176849 952835165 /nfs/dbraw/zinc/83/51/65/952835165.db2.gz YWIGBNIWIXYSHV-HOMQSWHASA-N -1 1 381.400 1.143 20 0 GDADMM O=C(NC[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cc(C2CC2)on1 ZINC001571176849 952835172 /nfs/dbraw/zinc/83/51/72/952835172.db2.gz YWIGBNIWIXYSHV-HOMQSWHASA-N -1 1 381.400 1.143 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)c3[nH]ccc3C)[C@H]2C)n1 ZINC001571184230 952889812 /nfs/dbraw/zinc/88/98/12/952889812.db2.gz UIYRQAGEBALIAC-NEPJUHHUSA-N -1 1 381.444 1.253 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)c3[nH]ccc3C)[C@H]2C)n1 ZINC001571184230 952889816 /nfs/dbraw/zinc/88/98/16/952889816.db2.gz UIYRQAGEBALIAC-NEPJUHHUSA-N -1 1 381.444 1.253 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)[C@H](C)n2cccc2)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571184374 952891389 /nfs/dbraw/zinc/89/13/89/952891389.db2.gz XTRHNBLJIDKFBX-KCQAQPDRSA-N -1 1 381.444 1.193 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)[C@H](C)n2cccc2)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571184374 952891396 /nfs/dbraw/zinc/89/13/96/952891396.db2.gz XTRHNBLJIDKFBX-KCQAQPDRSA-N -1 1 381.444 1.193 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccn(C)c2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571184454 952893235 /nfs/dbraw/zinc/89/32/35/952893235.db2.gz ZOWQFBCKRZPFLW-GXTWGEPZSA-N -1 1 381.444 1.206 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccn(C)c2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571184454 952893244 /nfs/dbraw/zinc/89/32/44/952893244.db2.gz ZOWQFBCKRZPFLW-GXTWGEPZSA-N -1 1 381.444 1.206 20 0 GDADMM CCCc1[nH]ccc1C(=O)N(C)C1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571184406 952894397 /nfs/dbraw/zinc/89/43/97/952894397.db2.gz YQCDWNWODFUGAV-UHFFFAOYSA-N -1 1 381.444 1.074 20 0 GDADMM CCn1cccc1C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C[C@H]1C ZINC001571184639 952894890 /nfs/dbraw/zinc/89/48/90/952894890.db2.gz CCAZWIDMMGDPQU-OLZOCXBDSA-N -1 1 381.444 1.583 20 0 GDADMM CCn1cccc1C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C[C@H]1C ZINC001571184639 952894898 /nfs/dbraw/zinc/89/48/98/952894898.db2.gz CCAZWIDMMGDPQU-OLZOCXBDSA-N -1 1 381.444 1.583 20 0 GDADMM Cc1[nH]ccc1C(=O)N[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001571184795 952896624 /nfs/dbraw/zinc/89/66/24/952896624.db2.gz DBYIKTBTRQFTAD-YPMHNXCESA-N -1 1 381.444 1.389 20 0 GDADMM Cc1[nH]ccc1C(=O)N[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001571184795 952896626 /nfs/dbraw/zinc/89/66/26/952896626.db2.gz DBYIKTBTRQFTAD-YPMHNXCESA-N -1 1 381.444 1.389 20 0 GDADMM Cc1c(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)[C@@H]2C)ccn1C ZINC001571185030 952899751 /nfs/dbraw/zinc/89/97/51/952899751.db2.gz GYHAIBHBAZDGNS-TZMCWYRMSA-N -1 1 381.444 1.091 20 0 GDADMM Cc1c(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)[C@@H]2C)ccn1C ZINC001571185030 952899757 /nfs/dbraw/zinc/89/97/57/952899757.db2.gz GYHAIBHBAZDGNS-TZMCWYRMSA-N -1 1 381.444 1.091 20 0 GDADMM Cc1cc(C)c(C(=O)N2CC[C@@H](CNc3nc(C)cc(-c4nnn[n-]4)n3)C2)[nH]1 ZINC001571185169 952901099 /nfs/dbraw/zinc/90/10/99/952901099.db2.gz JAKYHHASPBWTOW-ZDUSSCGKSA-N -1 1 381.444 1.484 20 0 GDADMM Cc1cc(C)c(C(=O)N2CC[C@@H](CNc3nc(C)cc(-c4nn[n-]n4)n3)C2)[nH]1 ZINC001571185169 952901102 /nfs/dbraw/zinc/90/11/02/952901102.db2.gz JAKYHHASPBWTOW-ZDUSSCGKSA-N -1 1 381.444 1.484 20 0 GDADMM Cc1c[nH]cc1C(=O)N[C@@H]1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571185842 952904442 /nfs/dbraw/zinc/90/44/42/952904442.db2.gz QOARDKSVYLYOEE-TZMCWYRMSA-N -1 1 381.444 1.694 20 0 GDADMM Cc1c[nH]cc1C(=O)N[C@@H]1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571185842 952904446 /nfs/dbraw/zinc/90/44/46/952904446.db2.gz QOARDKSVYLYOEE-TZMCWYRMSA-N -1 1 381.444 1.694 20 0 GDADMM Cc1ccc(C(=O)N(C)C2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)n1C ZINC001571187706 952908994 /nfs/dbraw/zinc/90/89/94/952908994.db2.gz AYMKZCYMEQQYCB-UHFFFAOYSA-N -1 1 381.444 1.045 20 0 GDADMM Cc1ccc(C(=O)N(C)C2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)n1C ZINC001571187706 952908999 /nfs/dbraw/zinc/90/89/99/952908999.db2.gz AYMKZCYMEQQYCB-UHFFFAOYSA-N -1 1 381.444 1.045 20 0 GDADMM Cc1cc(C)c(C(=O)N2C[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)[C@H](C)C2)[nH]1 ZINC001571187730 952910348 /nfs/dbraw/zinc/91/03/48/952910348.db2.gz BGGCGPHBZYXBEM-DGCLKSJQSA-N -1 1 381.444 1.422 20 0 GDADMM Cc1cc(C)c(C(=O)N2C[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)[C@H](C)C2)[nH]1 ZINC001571187730 952910354 /nfs/dbraw/zinc/91/03/54/952910354.db2.gz BGGCGPHBZYXBEM-DGCLKSJQSA-N -1 1 381.444 1.422 20 0 GDADMM Cc1cc(C(=O)NC[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C)c(C)[nH]1 ZINC001571187990 952910976 /nfs/dbraw/zinc/91/09/76/952910976.db2.gz FHGLHKWUDRQMSF-ZWNOBZJWSA-N -1 1 381.444 1.104 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H]([C@H](C)Nc3nccnc3-c3nnn[n-]3)C2)c(C)[nH]1 ZINC001571188355 952913499 /nfs/dbraw/zinc/91/34/99/952913499.db2.gz JHQFIMCOCQJDTQ-AAEUAGOBSA-N -1 1 381.444 1.564 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H]([C@H](C)Nc3nccnc3-c3nn[n-]n3)C2)c(C)[nH]1 ZINC001571188355 952913503 /nfs/dbraw/zinc/91/35/03/952913503.db2.gz JHQFIMCOCQJDTQ-AAEUAGOBSA-N -1 1 381.444 1.564 20 0 GDADMM Cc1cc(C)c(C(=O)N2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C(C)(C)C2)[nH]1 ZINC001571189350 952929051 /nfs/dbraw/zinc/92/90/51/952929051.db2.gz VIFFQIMRAXSGGA-CYBMUJFWSA-N -1 1 381.444 1.564 20 0 GDADMM Cc1cc(C)c(C(=O)N2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C(C)(C)C2)[nH]1 ZINC001571189350 952929054 /nfs/dbraw/zinc/92/90/54/952929054.db2.gz VIFFQIMRAXSGGA-CYBMUJFWSA-N -1 1 381.444 1.564 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)[C@H]2C)n1C ZINC001571189563 952930675 /nfs/dbraw/zinc/93/06/75/952930675.db2.gz XLWOBSLLVWCWEY-QWHCGFSZSA-N -1 1 381.444 1.091 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ccccc2F)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571195500 952976260 /nfs/dbraw/zinc/97/62/60/952976260.db2.gz ARJTURHMVQSNHT-RISCZKNCSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ccccc2F)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571195500 952976264 /nfs/dbraw/zinc/97/62/64/952976264.db2.gz ARJTURHMVQSNHT-RISCZKNCSA-N -1 1 382.403 1.583 20 0 GDADMM Cc1cc(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)ccc1F ZINC001571195535 952976691 /nfs/dbraw/zinc/97/66/91/952976691.db2.gz BDHRYJCESYEXIW-BJHJDKERSA-N -1 1 382.403 1.725 20 0 GDADMM Cc1cc(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)ccc1F ZINC001571195535 952976695 /nfs/dbraw/zinc/97/66/95/952976695.db2.gz BDHRYJCESYEXIW-BJHJDKERSA-N -1 1 382.403 1.725 20 0 GDADMM C[C@H]1CC[C@H](NC(=O)c2ccccc2F)CN1c1cncc(-c2nnn[n-]2)n1 ZINC001571196043 952980209 /nfs/dbraw/zinc/98/02/09/952980209.db2.gz GWNKYYAKZRCVQA-RYUDHWBXSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@H]1CC[C@H](NC(=O)c2ccccc2F)CN1c1cncc(-c2nn[n-]n2)n1 ZINC001571196043 952980213 /nfs/dbraw/zinc/98/02/13/952980213.db2.gz GWNKYYAKZRCVQA-RYUDHWBXSA-N -1 1 382.403 1.583 20 0 GDADMM Cc1cc(F)ccc1C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571196336 952980713 /nfs/dbraw/zinc/98/07/13/952980713.db2.gz JCHZYWLPGQUVPG-ZDUSSCGKSA-N -1 1 382.403 1.503 20 0 GDADMM Cc1cc(F)ccc1C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571196336 952980718 /nfs/dbraw/zinc/98/07/18/952980718.db2.gz JCHZYWLPGQUVPG-ZDUSSCGKSA-N -1 1 382.403 1.503 20 0 GDADMM Cc1ccc(C(=O)NC[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)cc1F ZINC001571196355 952981373 /nfs/dbraw/zinc/98/13/73/952981373.db2.gz JIDRURVYOUIPRF-BJHJDKERSA-N -1 1 382.403 1.725 20 0 GDADMM Cc1ccc(C(=O)NC[C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)cc1F ZINC001571196355 952981378 /nfs/dbraw/zinc/98/13/78/952981378.db2.gz JIDRURVYOUIPRF-BJHJDKERSA-N -1 1 382.403 1.725 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cccc(F)c1 ZINC001571196377 952981651 /nfs/dbraw/zinc/98/16/51/952981651.db2.gz JYKGHBYWSJCIAR-BPNCWPANSA-N -1 1 382.403 1.659 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cccc(F)c1 ZINC001571196377 952981655 /nfs/dbraw/zinc/98/16/55/952981655.db2.gz JYKGHBYWSJCIAR-BPNCWPANSA-N -1 1 382.403 1.659 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)c3ccc(F)cc3)C2)cc(-c2nnn[n-]2)n1 ZINC001571196704 952982748 /nfs/dbraw/zinc/98/27/48/952982748.db2.gz MNUGTHVIBXJRNX-CYBMUJFWSA-N -1 1 382.403 1.685 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)c3ccc(F)cc3)C2)cc(-c2nn[n-]n2)n1 ZINC001571196704 952982750 /nfs/dbraw/zinc/98/27/50/952982750.db2.gz MNUGTHVIBXJRNX-CYBMUJFWSA-N -1 1 382.403 1.685 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@H]2C)c(F)c1 ZINC001571196674 952982754 /nfs/dbraw/zinc/98/27/54/952982754.db2.gz MBQBVLXSRGKMPR-RISCZKNCSA-N -1 1 382.403 1.819 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@H]2C)c(F)c1 ZINC001571196674 952982755 /nfs/dbraw/zinc/98/27/55/952982755.db2.gz MBQBVLXSRGKMPR-RISCZKNCSA-N -1 1 382.403 1.819 20 0 GDADMM CCc1nc(NC2CCC(NC(=O)c3ccoc3)CC2)cc(-c2nnn[n-]2)n1 ZINC001571198527 952990912 /nfs/dbraw/zinc/99/09/12/952990912.db2.gz BCOHZSATQYTSLA-UHFFFAOYSA-N -1 1 382.428 1.965 20 0 GDADMM CCc1nc(NC2CCC(NC(=O)c3ccoc3)CC2)cc(-c2nn[n-]n2)n1 ZINC001571198527 952990918 /nfs/dbraw/zinc/99/09/18/952990918.db2.gz BCOHZSATQYTSLA-UHFFFAOYSA-N -1 1 382.428 1.965 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1CCCn2nccc21 ZINC001571199527 953000887 /nfs/dbraw/zinc/00/08/87/953000887.db2.gz UMQICCHCTRCVBK-CYBMUJFWSA-N -1 1 382.428 1.365 20 0 GDADMM Cc1ccoc1C(=O)N1CCC[C@@H]([C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571200105 953007287 /nfs/dbraw/zinc/00/72/87/953007287.db2.gz ARSSFEYQBVGNKQ-CHWSQXEVSA-N -1 1 382.428 1.911 20 0 GDADMM Cc1ccoc1C(=O)N1CCC[C@@H]([C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571200105 953007293 /nfs/dbraw/zinc/00/72/93/953007293.db2.gz ARSSFEYQBVGNKQ-CHWSQXEVSA-N -1 1 382.428 1.911 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)c(C)o1 ZINC001571200488 953009370 /nfs/dbraw/zinc/00/93/70/953009370.db2.gz CLBRSKUFLRYDNG-TZMCWYRMSA-N -1 1 382.428 1.877 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)c(C)o1 ZINC001571200488 953009377 /nfs/dbraw/zinc/00/93/77/953009377.db2.gz CLBRSKUFLRYDNG-TZMCWYRMSA-N -1 1 382.428 1.877 20 0 GDADMM CC(C)c1ccoc1C(=O)NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571200781 953011674 /nfs/dbraw/zinc/01/16/74/953011674.db2.gz LTCNIZAZKGOGKZ-UHFFFAOYSA-N -1 1 382.428 1.416 20 0 GDADMM Cc1coc(C)c1C(=O)N1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571201030 953014018 /nfs/dbraw/zinc/01/40/18/953014018.db2.gz IKWGLWNPJRALTH-ZDUSSCGKSA-N -1 1 382.428 1.973 20 0 GDADMM Cc1coc(C)c1C(=O)N1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571201030 953014023 /nfs/dbraw/zinc/01/40/23/953014023.db2.gz IKWGLWNPJRALTH-ZDUSSCGKSA-N -1 1 382.428 1.973 20 0 GDADMM CC(C)c1ccoc1C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571201442 953017146 /nfs/dbraw/zinc/01/71/46/953017146.db2.gz PYSVCVQEHZUHDG-TXEJJXNPSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1ccoc1C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571201442 953017150 /nfs/dbraw/zinc/01/71/50/953017150.db2.gz PYSVCVQEHZUHDG-TXEJJXNPSA-N -1 1 382.428 1.994 20 0 GDADMM Cc1ccoc1CC(=O)N[C@H]1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571201363 953017404 /nfs/dbraw/zinc/01/74/04/953017404.db2.gz LAXGPPDDUDPOIT-OLZOCXBDSA-N -1 1 382.428 1.498 20 0 GDADMM Cc1ccoc1CC(=O)N[C@H]1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571201363 953017409 /nfs/dbraw/zinc/01/74/09/953017409.db2.gz LAXGPPDDUDPOIT-OLZOCXBDSA-N -1 1 382.428 1.498 20 0 GDADMM Cc1ccoc1CC(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001571201866 953021145 /nfs/dbraw/zinc/02/11/45/953021145.db2.gz OXBRTSZFJMYEKR-QWHCGFSZSA-N -1 1 382.428 1.450 20 0 GDADMM Cc1ccoc1CC(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001571201866 953021150 /nfs/dbraw/zinc/02/11/50/953021150.db2.gz OXBRTSZFJMYEKR-QWHCGFSZSA-N -1 1 382.428 1.450 20 0 GDADMM CC1(C)CN(C(=O)CCc2ccco2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571202001 953022045 /nfs/dbraw/zinc/02/20/45/953022045.db2.gz UJDHDJSXNCBWRE-AWEZNQCLSA-N -1 1 382.428 1.531 20 0 GDADMM CC1(C)CN(C(=O)CCc2ccco2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571202001 953022047 /nfs/dbraw/zinc/02/20/47/953022047.db2.gz UJDHDJSXNCBWRE-AWEZNQCLSA-N -1 1 382.428 1.531 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)[C@@H]2C)o1 ZINC001571202772 953029127 /nfs/dbraw/zinc/02/91/27/953029127.db2.gz YOBZBENPZBARKQ-OLZOCXBDSA-N -1 1 382.428 1.654 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)[C@@H]2C)o1 ZINC001571202772 953029130 /nfs/dbraw/zinc/02/91/30/953029130.db2.gz YOBZBENPZBARKQ-OLZOCXBDSA-N -1 1 382.428 1.654 20 0 GDADMM Cc1occc1C(=O)N1CCC[C@H](CN(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001571204695 953032347 /nfs/dbraw/zinc/03/23/47/953032347.db2.gz CCHCAHHIEQNSBL-CYBMUJFWSA-N -1 1 382.428 1.547 20 0 GDADMM Cc1occc1C(=O)N1CCC[C@H](CN(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001571204695 953032354 /nfs/dbraw/zinc/03/23/54/953032354.db2.gz CCHCAHHIEQNSBL-CYBMUJFWSA-N -1 1 382.428 1.547 20 0 GDADMM Cc1nc[nH]c1C(=O)N1CCCCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571205799 953042386 /nfs/dbraw/zinc/04/23/86/953042386.db2.gz BHCHISDDFLCZKB-GFCCVEGCSA-N -1 1 382.432 1.185 20 0 GDADMM Cc1oc(C(C)C)cc1C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571206447 953051134 /nfs/dbraw/zinc/05/11/34/953051134.db2.gz POYKXBQWIYSDSW-HAQNSBGRSA-N -1 1 382.428 1.476 20 0 GDADMM O=C(N[C@]12CCC[C@@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2)c1ccsc1 ZINC001571210428 953071959 /nfs/dbraw/zinc/07/19/59/953071959.db2.gz RNNFYWLKOUPRKK-GUYCJALGSA-N -1 1 382.453 1.650 20 0 GDADMM O=C(N[C@]12CCC[C@@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2)c1ccsc1 ZINC001571210428 953071965 /nfs/dbraw/zinc/07/19/65/953071965.db2.gz RNNFYWLKOUPRKK-GUYCJALGSA-N -1 1 382.453 1.650 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H]3CN(C(=O)[C@H](C)C4CC4)C[C@@H]3C2)n1 ZINC001571211546 953077484 /nfs/dbraw/zinc/07/74/84/953077484.db2.gz BCRVDQZODIQTGI-BNOWGMLFSA-N -1 1 382.472 1.160 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H]3CN(C(=O)[C@H](C)C4CC4)C[C@@H]3C2)n1 ZINC001571211546 953077489 /nfs/dbraw/zinc/07/74/89/953077489.db2.gz BCRVDQZODIQTGI-BNOWGMLFSA-N -1 1 382.472 1.160 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H]3[C@H]2CCCN3C(=O)[C@H]2CC2(C)C)n1 ZINC001571211746 953080775 /nfs/dbraw/zinc/08/07/75/953080775.db2.gz DXJJGVPCIDCCCP-BPLDGKMQSA-N -1 1 382.472 1.581 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H]3[C@H]2CCCN3C(=O)[C@H]2CC2(C)C)n1 ZINC001571211746 953080777 /nfs/dbraw/zinc/08/07/77/953080777.db2.gz DXJJGVPCIDCCCP-BPLDGKMQSA-N -1 1 382.472 1.581 20 0 GDADMM C[C@@H]1CN(C(=O)[C@@H]2CCCC23CC3)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571211714 953080842 /nfs/dbraw/zinc/08/08/42/953080842.db2.gz DCOWOXNTZIWMIS-MCIONIFRSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@@H]1CN(C(=O)[C@@H]2CCCC23CC3)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571211714 953080843 /nfs/dbraw/zinc/08/08/43/953080843.db2.gz DCOWOXNTZIWMIS-MCIONIFRSA-N -1 1 382.472 1.743 20 0 GDADMM CC(C)(C)C1CC(C(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571212266 953085902 /nfs/dbraw/zinc/08/59/02/953085902.db2.gz KHUQNPQYROYABM-HOAMVYINSA-N -1 1 382.472 1.519 20 0 GDADMM CC(C)(C)C1CC(C(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571212266 953085908 /nfs/dbraw/zinc/08/59/08/953085908.db2.gz KHUQNPQYROYABM-HOAMVYINSA-N -1 1 382.472 1.519 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCC[C@H]2NC(=O)C2(C3CC3)CC2)n1 ZINC001571212413 953088238 /nfs/dbraw/zinc/08/82/38/953088238.db2.gz LLAPTTGLKJEMSC-ZIAGYGMSSA-N -1 1 382.472 1.995 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCC[C@H]2NC(=O)C2(C3CC3)CC2)n1 ZINC001571212413 953088243 /nfs/dbraw/zinc/08/82/43/953088243.db2.gz LLAPTTGLKJEMSC-ZIAGYGMSSA-N -1 1 382.472 1.995 20 0 GDADMM C[C@H]1CN(C(=O)C2(C3CC3)CC2)CC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571212502 953089088 /nfs/dbraw/zinc/08/90/88/953089088.db2.gz MORXWNPABFAEQJ-QWHCGFSZSA-N -1 1 382.472 1.165 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1)C1CC1 ZINC001571213224 953093035 /nfs/dbraw/zinc/09/30/35/953093035.db2.gz PVJQPGBVTOJLTD-DJJJIMSYSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H]1CCN(C(=O)C2CC3(CC3)C2)[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571213206 953093542 /nfs/dbraw/zinc/09/35/42/953093542.db2.gz PNRZMEPQNPBURO-OCCSQVGLSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@@H]1CCN(C(=O)C2CC3(CC3)C2)[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571213206 953093545 /nfs/dbraw/zinc/09/35/45/953093545.db2.gz PNRZMEPQNPBURO-OCCSQVGLSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N1CC[C@]2(C1)CCCN(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001571213277 953094533 /nfs/dbraw/zinc/09/45/33/953094533.db2.gz QYWHGELMWIILOS-BFUOFWGJSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N1CC[C@]2(C1)CCCN(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001571213277 953094537 /nfs/dbraw/zinc/09/45/37/953094537.db2.gz QYWHGELMWIILOS-BFUOFWGJSA-N -1 1 382.472 1.522 20 0 GDADMM CC[C@H]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001571213528 953096084 /nfs/dbraw/zinc/09/60/84/953096084.db2.gz RPPTXTPMYAGHPT-CKENWRIRSA-N -1 1 382.472 1.424 20 0 GDADMM CC[C@H]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571213528 953096087 /nfs/dbraw/zinc/09/60/87/953096087.db2.gz RPPTXTPMYAGHPT-CKENWRIRSA-N -1 1 382.472 1.424 20 0 GDADMM CC1(C)CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571213655 953096550 /nfs/dbraw/zinc/09/65/50/953096550.db2.gz SRYIZSMMOFGCOR-CRWXNKLISA-N -1 1 382.472 1.709 20 0 GDADMM CC1(C(=O)N2CCCC[C@@]3(CCN(c4ccc(-c5nnn[n-]5)nn4)C3)C2)CC1 ZINC001571213651 953096997 /nfs/dbraw/zinc/09/69/97/953096997.db2.gz SRSJWZQZVGPJDF-IBGZPJMESA-N -1 1 382.472 1.666 20 0 GDADMM CC1(C(=O)N2CCCC[C@@]3(CCN(c4ccc(-c5nn[n-]n5)nn4)C3)C2)CC1 ZINC001571213651 953097001 /nfs/dbraw/zinc/09/70/01/953097001.db2.gz SRSJWZQZVGPJDF-IBGZPJMESA-N -1 1 382.472 1.666 20 0 GDADMM C[C@@H]1CC2(CN1C(=O)C1CCC1)CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571214010 953098787 /nfs/dbraw/zinc/09/87/87/953098787.db2.gz VAGSFMCDMKLIPN-CYBMUJFWSA-N -1 1 382.472 1.664 20 0 GDADMM C[C@@H]1CC2(CN1C(=O)C1CCC1)CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001571214010 953098789 /nfs/dbraw/zinc/09/87/89/953098789.db2.gz VAGSFMCDMKLIPN-CYBMUJFWSA-N -1 1 382.472 1.664 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@]3(NC(=O)[C@H](C)C4CC4)CCC[C@H]23)n1 ZINC001571214099 953099543 /nfs/dbraw/zinc/09/95/43/953099543.db2.gz WXFCVTGVQSFTLG-XFHNUULXSA-N -1 1 382.472 1.629 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@]3(NC(=O)[C@H](C)C4CC4)CCC[C@H]23)n1 ZINC001571214099 953099545 /nfs/dbraw/zinc/09/95/45/953099545.db2.gz WXFCVTGVQSFTLG-XFHNUULXSA-N -1 1 382.472 1.629 20 0 GDADMM CCCC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001571214376 953101571 /nfs/dbraw/zinc/10/15/71/953101571.db2.gz XZEGVVPNYHOARJ-FQLMCAECSA-N -1 1 382.472 1.438 20 0 GDADMM CCCC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001571214376 953101574 /nfs/dbraw/zinc/10/15/74/953101574.db2.gz XZEGVVPNYHOARJ-FQLMCAECSA-N -1 1 382.472 1.438 20 0 GDADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@@H]1CCCN(C(=O)C2CC3(CCC3)C2)C1 ZINC001571214420 953101600 /nfs/dbraw/zinc/10/16/00/953101600.db2.gz YMSRRMQAOLTURM-CQSZACIVSA-N -1 1 382.472 1.664 20 0 GDADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)C2CC3(CCC3)C2)C1 ZINC001571214420 953101603 /nfs/dbraw/zinc/10/16/03/953101603.db2.gz YMSRRMQAOLTURM-CQSZACIVSA-N -1 1 382.472 1.664 20 0 GDADMM CCc1nc(N[C@H]2CC[C@H](NC(=O)[C@@H]3CC34CC4)CC2)cc(-c2nnn[n-]2)n1 ZINC001571214479 953102386 /nfs/dbraw/zinc/10/23/86/953102386.db2.gz ZRTRIWSSDGMVNF-AVGNSLFASA-N -1 1 382.472 1.859 20 0 GDADMM CCc1nc(N[C@H]2CC[C@H](NC(=O)[C@@H]3CC34CC4)CC2)cc(-c2nn[n-]n2)n1 ZINC001571214479 953102392 /nfs/dbraw/zinc/10/23/92/953102392.db2.gz ZRTRIWSSDGMVNF-AVGNSLFASA-N -1 1 382.472 1.859 20 0 GDADMM O=C(C1CCCCCC1)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571217341 953107446 /nfs/dbraw/zinc/10/74/46/953107446.db2.gz FUZHSOQIYFEZPU-GASCZTMLSA-N -1 1 382.472 1.807 20 0 GDADMM O=C(C1CCCCCC1)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571217341 953107447 /nfs/dbraw/zinc/10/74/47/953107447.db2.gz FUZHSOQIYFEZPU-GASCZTMLSA-N -1 1 382.472 1.807 20 0 GDADMM O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571217670 953109824 /nfs/dbraw/zinc/10/98/24/953109824.db2.gz HPTGJVUAGCQVPL-KBXIAJHMSA-N -1 1 382.472 1.886 20 0 GDADMM O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571217670 953109829 /nfs/dbraw/zinc/10/98/29/953109829.db2.gz HPTGJVUAGCQVPL-KBXIAJHMSA-N -1 1 382.472 1.886 20 0 GDADMM O=C(CC1CCCC1)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571218117 953112632 /nfs/dbraw/zinc/11/26/32/953112632.db2.gz MEGXTFSBYYMSOH-JKSUJKDBSA-N -1 1 382.472 1.807 20 0 GDADMM O=C(CC1CCCC1)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571218117 953112635 /nfs/dbraw/zinc/11/26/35/953112635.db2.gz MEGXTFSBYYMSOH-JKSUJKDBSA-N -1 1 382.472 1.807 20 0 GDADMM O=C(NC[C@H]1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)[C@H]1CCCC12CC2 ZINC001571218100 953112879 /nfs/dbraw/zinc/11/28/79/953112879.db2.gz LVEWOQDOTLHECU-BFHYXJOUSA-N -1 1 382.472 1.934 20 0 GDADMM O=C(NC[C@H]1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)[C@H]1CCCC12CC2 ZINC001571218100 953112885 /nfs/dbraw/zinc/11/28/85/953112885.db2.gz LVEWOQDOTLHECU-BFHYXJOUSA-N -1 1 382.472 1.934 20 0 GDADMM O=C(CC1CCCC1)N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571218115 953113046 /nfs/dbraw/zinc/11/30/46/953113046.db2.gz MEGXTFSBYYMSOH-HOTGVXAUSA-N -1 1 382.472 1.807 20 0 GDADMM O=C(CC1CCCC1)N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571218115 953113048 /nfs/dbraw/zinc/11/30/48/953113048.db2.gz MEGXTFSBYYMSOH-HOTGVXAUSA-N -1 1 382.472 1.807 20 0 GDADMM O=C(N[C@@H]1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C(C1CC1)C1CC1 ZINC001571218068 953113323 /nfs/dbraw/zinc/11/33/23/953113323.db2.gz LBBZHXMNZPCDPI-UONOGXRCSA-N -1 1 382.472 1.932 20 0 GDADMM O=C(N[C@@H]1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C(C1CC1)C1CC1 ZINC001571218068 953113325 /nfs/dbraw/zinc/11/33/25/953113325.db2.gz LBBZHXMNZPCDPI-UONOGXRCSA-N -1 1 382.472 1.932 20 0 GDADMM O=C(NC[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)C12CCC(CC1)C2 ZINC001571218476 953114854 /nfs/dbraw/zinc/11/48/54/953114854.db2.gz OXRSLUPVQHZDHA-BIWSTMPVSA-N -1 1 382.472 1.570 20 0 GDADMM O=C(C1CCC2(CC2)CC1)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571218491 953116208 /nfs/dbraw/zinc/11/62/08/953116208.db2.gz PFDBBPJOBFAJEC-CQSZACIVSA-N -1 1 382.472 1.452 20 0 GDADMM O=C(C1CCC1)N1CCC([C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571219396 953125585 /nfs/dbraw/zinc/12/55/85/953125585.db2.gz YWAMBYMFGMHUNA-OAHLLOKOSA-N -1 1 382.472 1.522 20 0 GDADMM O=C(C1CCC(C2CC2)CC1)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571219398 953126059 /nfs/dbraw/zinc/12/60/59/953126059.db2.gz YXUHSIHWLNZNGL-NRXISQOPSA-N -1 1 382.472 1.886 20 0 GDADMM O=C(C1CCC(C2CC2)CC1)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571219398 953126062 /nfs/dbraw/zinc/12/60/62/953126062.db2.gz YXUHSIHWLNZNGL-NRXISQOPSA-N -1 1 382.472 1.886 20 0 GDADMM CCc1ocnc1C(=O)N[C@H]1C[C@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571222454 953134936 /nfs/dbraw/zinc/13/49/36/953134936.db2.gz GDTVCXACTRFUSF-XYPYZODXSA-N -1 1 383.416 1.136 20 0 GDADMM CCc1ocnc1C(=O)N[C@H]1C[C@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571222454 953134937 /nfs/dbraw/zinc/13/49/37/953134937.db2.gz GDTVCXACTRFUSF-XYPYZODXSA-N -1 1 383.416 1.136 20 0 GDADMM CCc1nc(N[C@@H](C)[C@@H]2CCN(C(=O)c3ccon3)C2)cc(-c2nnn[n-]2)n1 ZINC001571222634 953136824 /nfs/dbraw/zinc/13/68/24/953136824.db2.gz IDRTUWVTOYPAOY-WDEREUQCSA-N -1 1 383.416 1.170 20 0 GDADMM CCc1nc(N[C@@H](C)[C@@H]2CCN(C(=O)c3ccon3)C2)cc(-c2nn[n-]n2)n1 ZINC001571222634 953136828 /nfs/dbraw/zinc/13/68/28/953136828.db2.gz IDRTUWVTOYPAOY-WDEREUQCSA-N -1 1 383.416 1.170 20 0 GDADMM CCc1ocnc1C(=O)NC[C@H]1C[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571222717 953137417 /nfs/dbraw/zinc/13/74/17/953137417.db2.gz KCJRXDJJXSJNOB-PHIMTYICSA-N -1 1 383.416 1.136 20 0 GDADMM CCc1ocnc1C(=O)NC[C@H]1C[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571222717 953137420 /nfs/dbraw/zinc/13/74/20/953137420.db2.gz KCJRXDJJXSJNOB-PHIMTYICSA-N -1 1 383.416 1.136 20 0 GDADMM CCc1nc(N[C@@H]2CCCN(C(=O)c3conc3C)C2)cc(-c2nnn[n-]2)n1 ZINC001571222976 953140920 /nfs/dbraw/zinc/14/09/20/953140920.db2.gz OLIWPQDXOZHEAH-LLVKDONJSA-N -1 1 383.416 1.232 20 0 GDADMM CCc1nc(N[C@@H]2CCCN(C(=O)c3conc3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571222976 953140922 /nfs/dbraw/zinc/14/09/22/953140922.db2.gz OLIWPQDXOZHEAH-LLVKDONJSA-N -1 1 383.416 1.232 20 0 GDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCCCN1C(=O)Cc1cnoc1 ZINC001571224165 953149237 /nfs/dbraw/zinc/14/92/37/953149237.db2.gz ZUSFEIQQAFGRDS-RISCZKNCSA-N -1 1 383.416 1.069 20 0 GDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCCCN1C(=O)Cc1cnoc1 ZINC001571224165 953149240 /nfs/dbraw/zinc/14/92/40/953149240.db2.gz ZUSFEIQQAFGRDS-RISCZKNCSA-N -1 1 383.416 1.069 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CN(C(=O)c3cnco3)CC[C@@H]2C)n1 ZINC001571224749 953150752 /nfs/dbraw/zinc/15/07/52/953150752.db2.gz FNGYUPVWKAHXPS-CMPLNLGQSA-N -1 1 383.416 1.163 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CN(C(=O)c3cnco3)CC[C@@H]2C)n1 ZINC001571224749 953150753 /nfs/dbraw/zinc/15/07/53/953150753.db2.gz FNGYUPVWKAHXPS-CMPLNLGQSA-N -1 1 383.416 1.163 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCC[C@@H](NC(=O)Cc3cnoc3)C2)n1 ZINC001571225210 953151906 /nfs/dbraw/zinc/15/19/06/953151906.db2.gz IQFLWNKRLXWKAD-OLZOCXBDSA-N -1 1 383.416 1.035 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCC[C@@H](NC(=O)Cc3cnoc3)C2)n1 ZINC001571225210 953151909 /nfs/dbraw/zinc/15/19/09/953151909.db2.gz IQFLWNKRLXWKAD-OLZOCXBDSA-N -1 1 383.416 1.035 20 0 GDADMM Cc1ocnc1C(=O)N1CC[C@H]([C@@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571225244 953152553 /nfs/dbraw/zinc/15/25/53/953152553.db2.gz IUUOHSURCPUDNO-PWSUYJOCSA-N -1 1 383.416 1.224 20 0 GDADMM Cc1ocnc1C(=O)N1CC[C@H]([C@@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571225244 953152557 /nfs/dbraw/zinc/15/25/57/953152557.db2.gz IUUOHSURCPUDNO-PWSUYJOCSA-N -1 1 383.416 1.224 20 0 GDADMM Cc1nc(C(=O)N2CC[C@H](C)[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)co1 ZINC001571225261 953152970 /nfs/dbraw/zinc/15/29/70/953152970.db2.gz IXGAOMYPPGZXGF-JQWIXIFHSA-N -1 1 383.416 1.163 20 0 GDADMM Cc1nc(C(=O)N2CC[C@H](C)[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)co1 ZINC001571225261 953152972 /nfs/dbraw/zinc/15/29/72/953152972.db2.gz IXGAOMYPPGZXGF-JQWIXIFHSA-N -1 1 383.416 1.163 20 0 GDADMM Cc1nc(C(=O)N2CC[C@@H]([C@H](C)Nc3nccnc3-c3nnn[n-]3)C2)c(C)o1 ZINC001571225954 953155487 /nfs/dbraw/zinc/15/54/87/953155487.db2.gz PBIHNSMEHCREFP-JOYOIKCWSA-N -1 1 383.416 1.224 20 0 GDADMM Cc1nc(C(=O)N2CC[C@@H]([C@H](C)Nc3nccnc3-c3nn[n-]n3)C2)c(C)o1 ZINC001571225954 953155489 /nfs/dbraw/zinc/15/54/89/953155489.db2.gz PBIHNSMEHCREFP-JOYOIKCWSA-N -1 1 383.416 1.224 20 0 GDADMM Cc1ocnc1C(=O)NC[C@H]1CCCCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571228178 953162629 /nfs/dbraw/zinc/16/26/29/953162629.db2.gz KGZSHJFRFFMPIJ-GFCCVEGCSA-N -1 1 383.416 1.132 20 0 GDADMM Cc1ocnc1C(=O)NC[C@H]1CCCCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571228178 953162631 /nfs/dbraw/zinc/16/26/31/953162631.db2.gz KGZSHJFRFFMPIJ-GFCCVEGCSA-N -1 1 383.416 1.132 20 0 GDADMM Cc1nsc(N2CCC[C@@H](NC(=O)[C@H]3CCC3(F)F)C2)c1-c1nn[n-]n1 ZINC001571229384 953169203 /nfs/dbraw/zinc/16/92/03/953169203.db2.gz DFZYDPXZFXUVKY-NXEZZACHSA-N -1 1 383.428 1.762 20 0 GDADMM O=C(N[C@@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C12CCC2)c1ccsn1 ZINC001571231186 953183609 /nfs/dbraw/zinc/18/36/09/953183609.db2.gz VATNJMNTSLSVTK-GHMZBOCLSA-N -1 1 383.441 1.266 20 0 GDADMM O=C(N[C@@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C12CCC2)c1ccsn1 ZINC001571231186 953183611 /nfs/dbraw/zinc/18/36/11/953183611.db2.gz VATNJMNTSLSVTK-GHMZBOCLSA-N -1 1 383.441 1.266 20 0 GDADMM O=C(N[C@@H]1CCc2ccccc2NC1=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001571234600 953203817 /nfs/dbraw/zinc/20/38/17/953203817.db2.gz CVWUMOQZRKGTBK-CQSZACIVSA-N -1 1 384.346 1.828 20 0 GDADMM O=C(N[C@@H]1CCc2ccccc2NC1=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001571234600 953203820 /nfs/dbraw/zinc/20/38/20/953203820.db2.gz CVWUMOQZRKGTBK-CQSZACIVSA-N -1 1 384.346 1.828 20 0 GDADMM O=C(C[C@H]1CCOC1)N[C@H]1C[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571235323 953211642 /nfs/dbraw/zinc/21/16/42/953211642.db2.gz ZXPDTBBBHZKMEB-IWSPIJDZSA-N -1 1 383.865 1.462 20 0 GDADMM CC1(C)CN(c2cncc(-c3nnn[n-]3)n2)CC[C@@H]1NC(=O)C1=COCCC1 ZINC001571242912 953261288 /nfs/dbraw/zinc/26/12/88/953261288.db2.gz QXQUHUIKVNSHOR-AWEZNQCLSA-N -1 1 384.444 1.072 20 0 GDADMM CC1(C)CN(c2cncc(-c3nn[n-]n3)n2)CC[C@@H]1NC(=O)C1=COCCC1 ZINC001571242912 953261290 /nfs/dbraw/zinc/26/12/90/953261290.db2.gz QXQUHUIKVNSHOR-AWEZNQCLSA-N -1 1 384.444 1.072 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C(C)(C)c1cccc(O)c1 ZINC001571243047 953262734 /nfs/dbraw/zinc/26/27/34/953262734.db2.gz UQIAYQSOYJDPHD-UHFFFAOYSA-N -1 1 384.444 1.246 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C(C)(C)c1cccc(O)c1 ZINC001571243047 953262736 /nfs/dbraw/zinc/26/27/36/953262736.db2.gz UQIAYQSOYJDPHD-UHFFFAOYSA-N -1 1 384.444 1.246 20 0 GDADMM Cc1nsc(N2CCC[C@@H]2CNC(=O)c2ncccc2C)c1-c1nn[n-]n1 ZINC001571244628 953266073 /nfs/dbraw/zinc/26/60/73/953266073.db2.gz CMFRRSYQEWABKO-GFCCVEGCSA-N -1 1 384.469 1.734 20 0 GDADMM Cc1cc(C)c(C(=O)N2CC[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)s1 ZINC001571244705 953266807 /nfs/dbraw/zinc/26/68/07/953266807.db2.gz FRZDKGBWAIEYEJ-LBPRGKRZSA-N -1 1 384.469 1.970 20 0 GDADMM Cc1cc(C)c(C(=O)N2CC[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)s1 ZINC001571244705 953266809 /nfs/dbraw/zinc/26/68/09/953266809.db2.gz FRZDKGBWAIEYEJ-LBPRGKRZSA-N -1 1 384.469 1.970 20 0 GDADMM Cc1ccsc1C(=O)N(C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571244795 953267872 /nfs/dbraw/zinc/26/78/72/953267872.db2.gz IXKADQGZPRSBBR-UHFFFAOYSA-N -1 1 384.469 1.768 20 0 GDADMM Cc1ccsc1C(=O)N(C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571244795 953267875 /nfs/dbraw/zinc/26/78/75/953267875.db2.gz IXKADQGZPRSBBR-UHFFFAOYSA-N -1 1 384.469 1.768 20 0 GDADMM Cc1cscc1C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)[C@H]1C ZINC001571244803 953267882 /nfs/dbraw/zinc/26/78/82/953267882.db2.gz JJHWDWQKNJMAKN-AAEUAGOBSA-N -1 1 384.469 1.814 20 0 GDADMM Cc1cscc1C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)[C@H]1C ZINC001571244803 953267884 /nfs/dbraw/zinc/26/78/84/953267884.db2.gz JJHWDWQKNJMAKN-AAEUAGOBSA-N -1 1 384.469 1.814 20 0 GDADMM Cc1nsc(N[C@@H]2C[C@H](CNC(=O)c3cccc(C)n3)C2)c1-c1nn[n-]n1 ZINC001571245396 953273086 /nfs/dbraw/zinc/27/30/86/953273086.db2.gz SIKUBEGAFCUMKB-TXEJJXNPSA-N -1 1 384.469 1.956 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)c2ccncc2)CCN1c1snc(C)c1-c1nn[n-]n1 ZINC001571245712 953275715 /nfs/dbraw/zinc/27/57/15/953275715.db2.gz YLSMJBIMAYQYNH-QWHCGFSZSA-N -1 1 384.469 1.814 20 0 GDADMM Cc1nsc(N2CC[C@H](CNC(=O)c3ccncc3C)C2)c1-c1nn[n-]n1 ZINC001571245813 953276970 /nfs/dbraw/zinc/27/69/70/953276970.db2.gz ZJBAAPXNOLYQFA-GFCCVEGCSA-N -1 1 384.469 1.591 20 0 GDADMM CC(C)(C)CC(=O)N1CCC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CC[C@H]21 ZINC001571249455 953306023 /nfs/dbraw/zinc/30/60/23/953306023.db2.gz JGLPLWYTFKIHRE-UONOGXRCSA-N -1 1 384.488 1.910 20 0 GDADMM CC(=O)N1CCC[C@@H](C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C2CCCC2)C1 ZINC001571250229 953309502 /nfs/dbraw/zinc/30/95/02/953309502.db2.gz OSYVUBDIYWXLBM-GOEBONIOSA-N -1 1 384.488 1.698 20 0 GDADMM C[C@H](C(=O)N1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)(C)C1)C1CCCC1 ZINC001571251565 953318970 /nfs/dbraw/zinc/31/89/70/953318970.db2.gz ZOICVTSMIUAJAQ-JSGCOSHPSA-N -1 1 384.488 1.554 20 0 GDADMM C[C@H]1CC[C@H](C(=O)NC[C@@H]2CCCCN2c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571251839 953320431 /nfs/dbraw/zinc/32/04/31/953320431.db2.gz AYGMYIHLJSPIRZ-KKUMJFAQSA-N -1 1 384.488 1.958 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H](CNC(=O)C3CCCC3)C2)n1 ZINC001571252018 953322643 /nfs/dbraw/zinc/32/26/43/953322643.db2.gz FLJHUIUMNFGECD-ZDUSSCGKSA-N -1 1 384.488 1.742 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H](CNC(=O)C3CCCC3)C2)n1 ZINC001571252018 953322649 /nfs/dbraw/zinc/32/26/49/953322649.db2.gz FLJHUIUMNFGECD-ZDUSSCGKSA-N -1 1 384.488 1.742 20 0 GDADMM CC[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)CC(C)(C)C1 ZINC001571252333 953326348 /nfs/dbraw/zinc/32/63/48/953326348.db2.gz LHRIBSLDBKHCRL-MGPQQGTHSA-N -1 1 384.488 1.814 20 0 GDADMM CC[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)CC(C)(C)C1 ZINC001571252333 953326352 /nfs/dbraw/zinc/32/63/52/953326352.db2.gz LHRIBSLDBKHCRL-MGPQQGTHSA-N -1 1 384.488 1.814 20 0 GDADMM CCN(C(=O)C1C(C)(C)C1(C)C)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571252667 953332217 /nfs/dbraw/zinc/33/22/17/953332217.db2.gz SYKBGXYUBAGAJS-GFCCVEGCSA-N -1 1 384.488 1.766 20 0 GDADMM Cc1cc(Cl)ccc1C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571255063 953345217 /nfs/dbraw/zinc/34/52/17/953345217.db2.gz HDRLIXONYGYLLK-LBPRGKRZSA-N -1 1 384.831 1.945 20 0 GDADMM Cc1cc(Cl)ccc1C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571255063 953345222 /nfs/dbraw/zinc/34/52/22/953345222.db2.gz HDRLIXONYGYLLK-LBPRGKRZSA-N -1 1 384.831 1.945 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](NC(=O)c3cccc(Cl)c3)C2)n1 ZINC001571256244 953367559 /nfs/dbraw/zinc/36/75/59/953367559.db2.gz TWHYREMNNDBGKO-CYBMUJFWSA-N -1 1 384.831 1.627 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)c3cccc(Cl)c3)C2)n1 ZINC001571256244 953367600 /nfs/dbraw/zinc/36/76/00/953367600.db2.gz TWHYREMNNDBGKO-CYBMUJFWSA-N -1 1 384.831 1.627 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c(Cl)c1 ZINC001571256364 953369790 /nfs/dbraw/zinc/36/97/90/953369790.db2.gz WELQJHFQBJCHRO-XYPYZODXSA-N -1 1 384.831 1.413 20 0 GDADMM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2[nH]nc3c2CN(C(=O)OC(C)(C)C)CC3)C1 ZINC001589278870 953477232 /nfs/dbraw/zinc/47/72/32/953477232.db2.gz IXPVRXUWNCOGLD-RYUDHWBXSA-N -1 1 392.456 1.886 20 0 GDADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC000449136335 953510763 /nfs/dbraw/zinc/51/07/63/953510763.db2.gz UZLKKTFHDJEGGN-ZDUSSCGKSA-N -1 1 387.440 1.886 20 0 GDADMM CCc1cc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])c(C)nn1 ZINC001593628825 953577143 /nfs/dbraw/zinc/57/71/43/953577143.db2.gz XOPIOVJVSLFULE-RYUDHWBXSA-N -1 1 388.346 1.084 20 0 GDADMM COc1ccc(C)cc1NC(=O)CNC(=O)CN1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000571881357 953665530 /nfs/dbraw/zinc/66/55/30/953665530.db2.gz QAEGZJRPQNDHBS-KGLIPLIRSA-N -1 1 377.441 1.243 20 0 GDADMM COC(=O)c1cc(NC(=O)CN2CCCC[C@H]2CC(=O)[O-])cc(C(=O)OC)c1 ZINC000593291332 953751876 /nfs/dbraw/zinc/75/18/76/953751876.db2.gz LGELNOAOAMZKKQ-HNNXBMFYSA-N -1 1 392.408 1.528 20 0 GDADMM O=C([O-])[C@@H]1CC(=O)N(C2CCN(Cc3cnn(Cc4ccccc4)c3)CC2)C1 ZINC000650791990 954030020 /nfs/dbraw/zinc/03/00/20/954030020.db2.gz VVFQEPWWKQBUKN-GOSISDBHSA-N -1 1 382.464 1.829 20 0 GDADMM CN1CCN(c2cc(CNC(=O)c3ccc(OCC(=O)[O-])cc3)ccn2)CC1 ZINC000659755542 954358848 /nfs/dbraw/zinc/35/88/48/954358848.db2.gz XXFJXTPEGKYXHE-UHFFFAOYSA-N -1 1 384.436 1.227 20 0 GDADMM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)c3cnc(-c4ccccc4)[nH]3)CC2)C1 ZINC001594897780 954585450 /nfs/dbraw/zinc/58/54/50/954585450.db2.gz QQKPMLSBKGJBBK-CQSZACIVSA-N -1 1 382.420 1.614 20 0 GDADMM COC(=O)C1CC2(C1)CN(C(=O)c1[nH]nc3ccc(Cl)cc31)C[C@@H]2C(=O)[O-] ZINC001593821158 955038797 /nfs/dbraw/zinc/03/87/97/955038797.db2.gz XCGNJDQJQWLNPF-CEHFUTMCSA-N -1 1 391.811 1.942 20 0 GDADMM COC(=O)c1cc(Br)oc1CNCC1(C(=O)[O-])CCOCC1 ZINC001593867886 955604164 /nfs/dbraw/zinc/60/41/64/955604164.db2.gz QCNWYMSTTBJWFZ-UHFFFAOYSA-N -1 1 376.203 1.800 20 0 GDADMM COC(=O)c1cc(Br)c(CN[C@@]2(C(=O)[O-])CCOC2)cc1OC ZINC001593868269 955605737 /nfs/dbraw/zinc/60/57/37/955605737.db2.gz WKGAZQHAAOEILD-HNNXBMFYSA-N -1 1 388.214 1.578 20 0 GDADMM Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(C(=O)Nc3cnn(-c4ccncc4)c3)C2)cn1 ZINC001594540452 955635960 /nfs/dbraw/zinc/63/59/60/955635960.db2.gz QENHZHDZOIBTSQ-UONOGXRCSA-N -1 1 395.423 1.723 20 0 GDADMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)COc1ccc(F)cc1 ZINC000851699553 955810650 /nfs/dbraw/zinc/81/06/50/955810650.db2.gz DOPCZZSXQLIAKU-YPMHNXCESA-N -1 1 392.305 1.327 20 0 GDADMM CCCCc1nc(CN2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])no1 ZINC000852734738 955842180 /nfs/dbraw/zinc/84/21/80/955842180.db2.gz CWMGJFQDJDGHNI-JOYOIKCWSA-N -1 1 378.351 1.508 20 0 GDADMM CCOC(=O)N1CCN(C(=O)[C@@H](C)N2Cc3ccccc3[C@H](C(=O)[O-])C2)CC1 ZINC000852736466 955846787 /nfs/dbraw/zinc/84/67/87/955846787.db2.gz YDFFRXXMCIXPSJ-RHSMWYFYSA-N -1 1 389.452 1.360 20 0 GDADMM Nc1c(F)cccc1C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001594663810 956557512 /nfs/dbraw/zinc/55/75/12/956557512.db2.gz YUZORIHGMXCZQJ-GXSJLCMTSA-N -1 1 377.294 1.144 20 0 GDADMM CCn1cc(Cl)cc1C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000902066812 956637596 /nfs/dbraw/zinc/63/75/96/956637596.db2.gz SIHWSIPLIHNJNI-KOLCDFICSA-N -1 1 395.765 1.898 20 0 GDADMM CCN(CC)[C@H](C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O)c1ccccc1 ZINC000902435029 956724891 /nfs/dbraw/zinc/72/48/91/956724891.db2.gz ZXSPMNGGSJHDSR-AEFFLSMTSA-N -1 1 375.469 1.651 20 0 GDADMM CC[C@@H](CNC(=O)NCCCN1CCN(c2cccc(C)c2)CC1)C(=O)[O-] ZINC001263070218 957287834 /nfs/dbraw/zinc/28/78/34/957287834.db2.gz PFIASZQCFSDDLH-KRWDZBQOSA-N -1 1 376.501 1.917 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])cc(Cl)n1 ZINC001594276138 957719606 /nfs/dbraw/zinc/71/96/06/957719606.db2.gz FYZCMJHQRNSGDP-ONGXEEELSA-N -1 1 393.749 1.780 20 0 GDADMM Cc1cc(CNC(=O)C(F)(F)F)cc(NC(=O)c2cc(C(=O)[O-])nn2C)c1 ZINC001594304478 957952755 /nfs/dbraw/zinc/95/27/55/957952755.db2.gz PTLNRTKOBDIVOC-UHFFFAOYSA-N -1 1 384.314 1.858 20 0 GDADMM COc1cc(C(=O)N2CCC[C@]2(C)C(=O)[O-])cc(NS(C)(=O)=O)c1OC ZINC001594050531 957981077 /nfs/dbraw/zinc/98/10/77/957981077.db2.gz MJKOGVPTSOPJAS-MRXNPFEDSA-N -1 1 386.426 1.155 20 0 GDADMM COc1cc(C(=O)Nc2ccnc(C(=O)[O-])c2)cc(NS(C)(=O)=O)c1OC ZINC001594050961 957990397 /nfs/dbraw/zinc/99/03/97/957990397.db2.gz 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/nfs/dbraw/zinc/23/51/11/532235111.db2.gz FROKEOUBRWNIBR-ZETCQYMHSA-N -1 1 382.280 1.500 20 0 GDADMM Cc1nc(S(=O)(=O)[N-][C@H]2c3ccccc3C[C@H]2O)c(Br)n1C ZINC000287824383 532244388 /nfs/dbraw/zinc/24/43/88/532244388.db2.gz NEMPRHSREQCZAI-NEPJUHHUSA-N -1 1 386.271 1.428 20 0 GDADMM O=C([O-])[C@H]1[C@H]2CCC[N@H+]2CCN1S(=O)(=O)c1ccccc1OC(F)F ZINC000377153788 532244555 /nfs/dbraw/zinc/24/45/55/532244555.db2.gz KVIIOLRBGDLSPB-ZWNOBZJWSA-N -1 1 376.381 1.210 20 0 GDADMM O=C([O-])[C@H]1[C@H]2CCCN2CCN1S(=O)(=O)c1ccccc1OC(F)F ZINC000377153788 532244557 /nfs/dbraw/zinc/24/45/57/532244557.db2.gz KVIIOLRBGDLSPB-ZWNOBZJWSA-N -1 1 376.381 1.210 20 0 GDADMM COc1ccc(S(=O)(=O)N[C@@H](CN2CCCCC2)C(=O)[O-])cc1Cl ZINC000275001037 532252478 /nfs/dbraw/zinc/25/24/78/532252478.db2.gz OAPPGMXHRQFRSU-ZDUSSCGKSA-N -1 1 376.862 1.566 20 0 GDADMM COC(=O)c1ncsc1S(=O)(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000275015156 532253469 /nfs/dbraw/zinc/25/34/69/532253469.db2.gz NWHVGLMMCXOSKW-MWLCHTKSSA-N -1 1 384.435 1.670 20 0 GDADMM CSc1cccc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@H](C)[C@H]2C)n1 ZINC000348334702 532263929 /nfs/dbraw/zinc/26/39/29/532263929.db2.gz AKRLJBYIRSENTQ-NWDGAFQWSA-N -1 1 393.556 1.605 20 0 GDADMM CSc1cccc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@H](C)[C@@H]2C)n1 ZINC000348334703 532264671 /nfs/dbraw/zinc/26/46/71/532264671.db2.gz AKRLJBYIRSENTQ-RYUDHWBXSA-N -1 1 393.556 1.605 20 0 GDADMM O=C([O-])[C@H](Cc1cnc[nH]1)NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000392202340 532299016 /nfs/dbraw/zinc/29/90/16/532299016.db2.gz ZYQIVHVLUBQFCM-JTQLQIEISA-N -1 1 395.771 1.639 20 0 GDADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(NS(N)(=O)=O)c2)cc1 ZINC000392292050 532299660 /nfs/dbraw/zinc/29/96/60/532299660.db2.gz MDJTWMYCIWOACA-UHFFFAOYSA-N -1 1 384.439 1.061 20 0 GDADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000393016217 532300984 /nfs/dbraw/zinc/30/09/84/532300984.db2.gz IQGAUJYKUDLLGX-ZDUSSCGKSA-N -1 1 389.543 1.305 20 0 GDADMM CCc1cnc(C[N-]S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)s1 ZINC000275829358 532311721 /nfs/dbraw/zinc/31/17/21/532311721.db2.gz UBJODACREAHQTD-UHFFFAOYSA-N -1 1 389.524 1.434 20 0 GDADMM COC(=O)[C@H]([N-]S(=O)(=O)/C=C/c1ccc(Br)cc1)[C@@H](C)O ZINC000275840597 532312039 /nfs/dbraw/zinc/31/20/39/532312039.db2.gz VQYRSEWRCZNNBX-HPGOCCIASA-N -1 1 378.244 1.262 20 0 GDADMM CC(C)[C@H](C(=O)Nc1nc(Br)ccc1[O-])N1CCCS1(=O)=O ZINC000275857685 532312666 /nfs/dbraw/zinc/31/26/66/532312666.db2.gz LSPOSBIULOSQPX-LLVKDONJSA-N -1 1 392.275 1.548 20 0 GDADMM CCc1nnc(C[N-]S(=O)(=O)c2ccc(CCNC(=O)OC)s2)s1 ZINC000289504476 532326265 /nfs/dbraw/zinc/32/62/65/532326265.db2.gz LEWBISFHHDDVPC-UHFFFAOYSA-N -1 1 390.512 1.539 20 0 GDADMM CN(C(=O)c1c([O-])cnc2c(Br)cccc21)[C@H]1CCS(=O)(=O)C1 ZINC000289360429 532322594 /nfs/dbraw/zinc/32/25/94/532322594.db2.gz MUXWSHOKUUHUOU-VIFPVBQESA-N -1 1 399.266 1.962 20 0 GDADMM CCOC(=O)c1csc(CC[N-]S(=O)(=O)c2cc(C(=O)OC)co2)n1 ZINC000276395864 532328545 /nfs/dbraw/zinc/32/85/45/532328545.db2.gz RZYJGSQDXUONNH-UHFFFAOYSA-N -1 1 388.423 1.220 20 0 GDADMM CCOC(=O)CN(C)C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000289735956 532331393 /nfs/dbraw/zinc/33/13/93/532331393.db2.gz KISRDOUFFUMDGL-UHFFFAOYSA-N -1 1 383.253 1.293 20 0 GDADMM COC(=O)c1sc(C)cc1OS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736956761 598836492 /nfs/dbraw/zinc/83/64/92/598836492.db2.gz JJGJSVZUDWXEIY-UHFFFAOYSA-N -1 1 398.397 1.930 20 0 GDADMM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000736947084 598841253 /nfs/dbraw/zinc/84/12/53/598841253.db2.gz DBWZHCKTMXXLMM-UHFFFAOYSA-N -1 1 395.347 1.732 20 0 GDADMM CCN(CC)C(=O)CN(C)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736521264 598874112 /nfs/dbraw/zinc/87/41/12/598874112.db2.gz CZCRITXMBPAEOF-UHFFFAOYSA-N -1 1 386.865 1.009 20 0 GDADMM CCN(CC)C(=O)CN(C)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736521264 598874113 /nfs/dbraw/zinc/87/41/13/598874113.db2.gz CZCRITXMBPAEOF-UHFFFAOYSA-N -1 1 386.865 1.009 20 0 GDADMM O=S(=O)(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)c1c[nH]cn1 ZINC000738345486 598876282 /nfs/dbraw/zinc/87/62/82/598876282.db2.gz OFMTWZOFWUAWLA-UHFFFAOYSA-N -1 1 387.450 1.797 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CCO[C@@H](C(F)(F)F)C2)cc1-c1nn[n-]n1 ZINC000737187039 598891836 /nfs/dbraw/zinc/89/18/36/598891836.db2.gz NYFAIYAAYACZNO-MRVPVSSYSA-N -1 1 390.347 1.093 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N(C)c1cccnc1 ZINC000737486859 598892839 /nfs/dbraw/zinc/89/28/39/598892839.db2.gz FXSOKYVAQWNROE-UHFFFAOYSA-N -1 1 377.412 1.517 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N(C)c1cccnc1 ZINC000737486859 598892840 /nfs/dbraw/zinc/89/28/40/598892840.db2.gz FXSOKYVAQWNROE-UHFFFAOYSA-N -1 1 377.412 1.517 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)Nc2cccn(C)c2=O)c1-c1nn[n-]n1 ZINC000737190196 598910247 /nfs/dbraw/zinc/91/02/47/598910247.db2.gz UGILUNXVSPTOIS-UHFFFAOYSA-N -1 1 383.437 1.812 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000737548352 598912960 /nfs/dbraw/zinc/91/29/60/598912960.db2.gz OUIJZOGMTXLBCJ-GFCCVEGCSA-N -1 1 378.396 1.569 20 0 GDADMM O=c1n(CCCNc2snc(Cl)c2-c2nnn[n-]2)nc2n1CCCC2 ZINC000738381854 598913582 /nfs/dbraw/zinc/91/35/82/598913582.db2.gz NGDFJQALCUSKSS-UHFFFAOYSA-N -1 1 381.853 1.173 20 0 GDADMM O=c1n(CCCNc2snc(Cl)c2-c2nn[n-]n2)nc2n1CCCC2 ZINC000738381854 598913583 /nfs/dbraw/zinc/91/35/83/598913583.db2.gz NGDFJQALCUSKSS-UHFFFAOYSA-N -1 1 381.853 1.173 20 0 GDADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc(C(=O)NC2CC2)cc1 ZINC000737301006 598930352 /nfs/dbraw/zinc/93/03/52/598930352.db2.gz GQOKLVNYVNKJRS-UHFFFAOYSA-N -1 1 398.448 1.868 20 0 GDADMM CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)cc1 ZINC000735457904 598930930 /nfs/dbraw/zinc/93/09/30/598930930.db2.gz GMPGGORBOPSVMY-UHFFFAOYSA-N -1 1 386.437 1.959 20 0 GDADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1cccc([S@@](C)=O)c1 ZINC000737225238 598950607 /nfs/dbraw/zinc/95/06/07/598950607.db2.gz LMCGAKYVYIPRKI-XMMPIXPASA-N -1 1 377.451 1.713 20 0 GDADMM O[C@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)COc1cccc(F)c1 ZINC000738383758 598960601 /nfs/dbraw/zinc/96/06/01/598960601.db2.gz QAFOCNAHZZNOIZ-GFCCVEGCSA-N -1 1 381.371 1.801 20 0 GDADMM O[C@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)COc1cccc(F)c1 ZINC000738383758 598960603 /nfs/dbraw/zinc/96/06/03/598960603.db2.gz QAFOCNAHZZNOIZ-GFCCVEGCSA-N -1 1 381.371 1.801 20 0 GDADMM CNC(=O)COc1ccc(Oc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000736874386 598969232 /nfs/dbraw/zinc/96/92/32/598969232.db2.gz POXMJHRKSNETGS-UHFFFAOYSA-N -1 1 377.364 1.727 20 0 GDADMM Cc1ccoc1C(=O)NCCCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000737441516 598971146 /nfs/dbraw/zinc/97/11/46/598971146.db2.gz GPDFMSFDOJDLOV-UHFFFAOYSA-N -1 1 378.396 1.943 20 0 GDADMM Cc1ccoc1C(=O)NCCCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000737441516 598971148 /nfs/dbraw/zinc/97/11/48/598971148.db2.gz GPDFMSFDOJDLOV-UHFFFAOYSA-N -1 1 378.396 1.943 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2C[C@H]2c2c(F)cccc2Cl)n(C)c1=O ZINC000737596450 598972132 /nfs/dbraw/zinc/97/21/32/598972132.db2.gz NTSHPYGJRALTGU-GMSGAONNSA-N -1 1 391.794 1.025 20 0 GDADMM Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1S(=O)(=O)N(C)C ZINC000737359448 598980534 /nfs/dbraw/zinc/98/05/34/598980534.db2.gz FOKCQVCKWDKBMH-UHFFFAOYSA-N -1 1 387.425 1.073 20 0 GDADMM Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1S(=O)(=O)N(C)C ZINC000737359448 598980536 /nfs/dbraw/zinc/98/05/36/598980536.db2.gz FOKCQVCKWDKBMH-UHFFFAOYSA-N -1 1 387.425 1.073 20 0 GDADMM Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737366585 598980351 /nfs/dbraw/zinc/98/03/51/598980351.db2.gz UCRCKWXBYCFBNS-UHFFFAOYSA-N -1 1 387.425 1.073 20 0 GDADMM Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737366585 598980352 /nfs/dbraw/zinc/98/03/52/598980352.db2.gz UCRCKWXBYCFBNS-UHFFFAOYSA-N -1 1 387.425 1.073 20 0 GDADMM CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736555331 598982143 /nfs/dbraw/zinc/98/21/43/598982143.db2.gz GENJCAQAVPVPED-UHFFFAOYSA-N -1 1 376.380 1.573 20 0 GDADMM CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736555331 598982147 /nfs/dbraw/zinc/98/21/47/598982147.db2.gz GENJCAQAVPVPED-UHFFFAOYSA-N -1 1 376.380 1.573 20 0 GDADMM CCOC(=O)[C@]1(NC(=O)c2ccc(-c3nnn[n-]3)nc2)CCc2ccccc21 ZINC000736590162 599007308 /nfs/dbraw/zinc/00/73/08/599007308.db2.gz GEEBCLJUEUDKPJ-IBGZPJMESA-N -1 1 378.392 1.396 20 0 GDADMM CCOC(=O)[C@]1(NC(=O)c2ccc(-c3nn[n-]n3)nc2)CCc2ccccc21 ZINC000736590162 599007309 /nfs/dbraw/zinc/00/73/09/599007309.db2.gz GEEBCLJUEUDKPJ-IBGZPJMESA-N -1 1 378.392 1.396 20 0 GDADMM CCO[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1(C)C ZINC000736613958 599008351 /nfs/dbraw/zinc/00/83/51/599008351.db2.gz UJZDDNJHOHBYIF-KBPBESRZSA-N -1 1 383.449 1.830 20 0 GDADMM CCCCC[C@@H](O)CC(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000736440891 599014948 /nfs/dbraw/zinc/01/49/48/599014948.db2.gz IBDVUAWYBNOLLZ-GFCCVEGCSA-N -1 1 379.417 1.890 20 0 GDADMM Cc1cccc(C(=O)N2CCCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)c1 ZINC000737381762 599021633 /nfs/dbraw/zinc/02/16/33/599021633.db2.gz NLLBWFBFJVBWFN-UHFFFAOYSA-N -1 1 391.435 1.558 20 0 GDADMM Cc1cccc(C(=O)N2CCCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)c1 ZINC000737381762 599021634 /nfs/dbraw/zinc/02/16/34/599021634.db2.gz NLLBWFBFJVBWFN-UHFFFAOYSA-N -1 1 391.435 1.558 20 0 GDADMM Cn1cc(N2CCC[C@H](Nc3c4ccccc4nnc3-c3nnn[n-]3)C2)cn1 ZINC000822680978 599036648 /nfs/dbraw/zinc/03/66/48/599036648.db2.gz RUVCDZCKKOCWNP-LBPRGKRZSA-N -1 1 376.428 1.624 20 0 GDADMM Cn1cc(N2CCC[C@H](Nc3c4ccccc4nnc3-c3nn[n-]n3)C2)cn1 ZINC000822680978 599036651 /nfs/dbraw/zinc/03/66/51/599036651.db2.gz RUVCDZCKKOCWNP-LBPRGKRZSA-N -1 1 376.428 1.624 20 0 GDADMM CCO[C@@H]1C[C@H](O)C12CCN(c1c3ccccc3nnc1-c1nnn[n-]1)CC2 ZINC000736611067 599047056 /nfs/dbraw/zinc/04/70/56/599047056.db2.gz IKNGYAHRHGDDKP-LSDHHAIUSA-N -1 1 381.440 1.566 20 0 GDADMM CCO[C@@H]1C[C@H](O)C12CCN(c1c3ccccc3nnc1-c1nn[n-]n1)CC2 ZINC000736611067 599047057 /nfs/dbraw/zinc/04/70/57/599047057.db2.gz IKNGYAHRHGDDKP-LSDHHAIUSA-N -1 1 381.440 1.566 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@H](C)c1cnn(C)c1 ZINC000737486329 599078405 /nfs/dbraw/zinc/07/84/05/599078405.db2.gz DFMTUPXWSCNKAO-SNVBAGLBSA-N -1 1 394.443 1.070 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@H](C)c1cnn(C)c1 ZINC000737486329 599078406 /nfs/dbraw/zinc/07/84/06/599078406.db2.gz DFMTUPXWSCNKAO-SNVBAGLBSA-N -1 1 394.443 1.070 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(Sc2ccc(Cl)c(Cl)c2)n(C)c1=O ZINC000822604938 599078681 /nfs/dbraw/zinc/07/86/81/599078681.db2.gz RDLRIQXSXDLMOW-UHFFFAOYSA-N -1 1 385.236 1.722 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N1CCc2sccc2C1 ZINC000736157288 599131960 /nfs/dbraw/zinc/13/19/60/599131960.db2.gz JWAVKHJFZKKWKU-SNVBAGLBSA-N -1 1 384.421 1.453 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N1CCc2sccc2C1 ZINC000736157288 599131962 /nfs/dbraw/zinc/13/19/62/599131962.db2.gz JWAVKHJFZKKWKU-SNVBAGLBSA-N -1 1 384.421 1.453 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N1CCCc2ccccc21 ZINC000736156931 599132227 /nfs/dbraw/zinc/13/22/27/599132227.db2.gz GDXLBMZAHSIHHC-LBPRGKRZSA-N -1 1 378.392 1.786 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N1CCCc2ccccc21 ZINC000736156931 599132230 /nfs/dbraw/zinc/13/22/30/599132230.db2.gz GDXLBMZAHSIHHC-LBPRGKRZSA-N -1 1 378.392 1.786 20 0 GDADMM Cc1cccc(NC(=O)NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)c1C ZINC000737400612 599133002 /nfs/dbraw/zinc/13/30/02/599133002.db2.gz XDLAWSPNCSVUJU-UHFFFAOYSA-N -1 1 395.379 1.384 20 0 GDADMM Cc1cccc(NC(=O)NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)c1C ZINC000737400612 599133004 /nfs/dbraw/zinc/13/30/04/599133004.db2.gz XDLAWSPNCSVUJU-UHFFFAOYSA-N -1 1 395.379 1.384 20 0 GDADMM CCCOc1cccc(CNC(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736492006 599137100 /nfs/dbraw/zinc/13/71/00/599137100.db2.gz HJTBQYMWRIKIGR-UHFFFAOYSA-N -1 1 396.407 1.524 20 0 GDADMM CCCOc1cccc(CNC(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736492006 599137102 /nfs/dbraw/zinc/13/71/02/599137102.db2.gz HJTBQYMWRIKIGR-UHFFFAOYSA-N -1 1 396.407 1.524 20 0 GDADMM COc1ccccc1[C@H](C)NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737140882 599138501 /nfs/dbraw/zinc/13/85/01/599138501.db2.gz GHFTYEMZNFBKCK-NSHDSACASA-N -1 1 382.380 1.305 20 0 GDADMM COc1ccccc1[C@H](C)NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737140882 599138504 /nfs/dbraw/zinc/13/85/04/599138504.db2.gz GHFTYEMZNFBKCK-NSHDSACASA-N -1 1 382.380 1.305 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)NC(=O)Nc1ccccc1 ZINC000736156666 599140508 /nfs/dbraw/zinc/14/05/08/599140508.db2.gz CFJQILPLPCNCKA-SNVBAGLBSA-N -1 1 381.352 1.155 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)NC(=O)Nc1ccccc1 ZINC000736156666 599140510 /nfs/dbraw/zinc/14/05/10/599140510.db2.gz CFJQILPLPCNCKA-SNVBAGLBSA-N -1 1 381.352 1.155 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)Nc1cccc2ncccc21 ZINC000736157768 599140687 /nfs/dbraw/zinc/14/06/87/599140687.db2.gz MDYJYYYXFSOQRA-NSHDSACASA-N -1 1 389.375 1.994 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)Nc1cccc2ncccc21 ZINC000736157768 599140689 /nfs/dbraw/zinc/14/06/89/599140689.db2.gz MDYJYYYXFSOQRA-NSHDSACASA-N -1 1 389.375 1.994 20 0 GDADMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2ncc(-c3ccccc3F)o2)c1=O ZINC000736719720 599161225 /nfs/dbraw/zinc/16/12/25/599161225.db2.gz QYDAKLSCTVLUEM-UHFFFAOYSA-N -1 1 383.343 1.052 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N(CCc1ccc(F)cc1)C1CC1 ZINC000738352959 599211000 /nfs/dbraw/zinc/21/10/00/599211000.db2.gz DOEIQYFCWLZJJM-UHFFFAOYSA-N -1 1 388.428 1.797 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N(CCc1ccc(F)cc1)C1CC1 ZINC000738352959 599211003 /nfs/dbraw/zinc/21/10/03/599211003.db2.gz DOEIQYFCWLZJJM-UHFFFAOYSA-N -1 1 388.428 1.797 20 0 GDADMM CC[C@@H]1CN(C(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)CCS1 ZINC000820988287 599213563 /nfs/dbraw/zinc/21/35/63/599213563.db2.gz DVJBNGIWJFHDTN-GFCCVEGCSA-N -1 1 376.486 1.871 20 0 GDADMM COCCCCCOC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000736979894 599215109 /nfs/dbraw/zinc/21/51/09/599215109.db2.gz VRQRCCOSRQMXQI-UHFFFAOYSA-N -1 1 387.444 1.819 20 0 GDADMM COCCCCCOC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000736979894 599215111 /nfs/dbraw/zinc/21/51/11/599215111.db2.gz VRQRCCOSRQMXQI-UHFFFAOYSA-N -1 1 387.444 1.819 20 0 GDADMM O=C([O-])[C@H]1CC(C(=O)Nc2cnn(-c3ccncc3)c2)=NN1c1ccccc1 ZINC000740476095 596957808 /nfs/dbraw/zinc/95/78/08/596957808.db2.gz QATAOTGFJBUECF-QGZVFWFLSA-N -1 1 376.376 1.925 20 0 GDADMM Cc1ccccc1C(=O)NC1CCN(C(=O)CNC2(C(=O)[O-])CCCC2)CC1 ZINC000532711495 597079696 /nfs/dbraw/zinc/07/96/96/597079696.db2.gz DGSFDDNQCDALRP-UHFFFAOYSA-N -1 1 387.480 1.703 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N(C[C@@H]2CCOC2)C2CC2)cc1-c1nn[n-]n1 ZINC000821970823 607324887 /nfs/dbraw/zinc/32/48/87/607324887.db2.gz SUDYCQQNMAVWGV-VIFPVBQESA-N -1 1 376.442 1.330 20 0 GDADMM CCN(CC)CCN(C(=O)c1cccc(C(=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000820338725 598148584 /nfs/dbraw/zinc/14/85/84/598148584.db2.gz QBZHNLQHTOTVPI-MRXNPFEDSA-N -1 1 382.482 1.356 20 0 GDADMM CC[C@H](C)[C@H](NCC(=O)N1CCN(C(=O)Nc2ccccc2)CC1)C(=O)[O-] ZINC000820459567 598187555 /nfs/dbraw/zinc/18/75/55/598187555.db2.gz DQOPEFFOPGNNMV-YOEHRIQHSA-N -1 1 376.457 1.452 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H](C)[C@@H](C)N1CCOCC1 ZINC000737549381 598242751 /nfs/dbraw/zinc/24/27/51/598242751.db2.gz UTEYQSQLRLHHGV-CHWSQXEVSA-N -1 1 399.455 1.398 20 0 GDADMM C[C@H](CC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1)n1cccc1 ZINC000735978096 598258372 /nfs/dbraw/zinc/25/83/72/598258372.db2.gz YOIIEDJSYLVVDQ-CYBMUJFWSA-N -1 1 396.455 1.834 20 0 GDADMM CC(=O)c1cc(Cl)ccc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735497223 598258621 /nfs/dbraw/zinc/25/86/21/598258621.db2.gz QOKUVBXAFQHPDY-UHFFFAOYSA-N -1 1 379.785 1.885 20 0 GDADMM CC(=O)c1cc(Cl)ccc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735497223 598258623 /nfs/dbraw/zinc/25/86/23/598258623.db2.gz QOKUVBXAFQHPDY-UHFFFAOYSA-N -1 1 379.785 1.885 20 0 GDADMM O=Cc1c(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)ccc2ccccc21 ZINC000738314180 598259589 /nfs/dbraw/zinc/25/95/89/598259589.db2.gz RZVFJWVSFSIYCC-UHFFFAOYSA-N -1 1 381.373 1.995 20 0 GDADMM O=Cc1c(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)ccc2ccccc21 ZINC000738314180 598259590 /nfs/dbraw/zinc/25/95/90/598259590.db2.gz RZVFJWVSFSIYCC-UHFFFAOYSA-N -1 1 381.373 1.995 20 0 GDADMM O=S(=O)(NCCCn1ccc2ccccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000738337466 598261401 /nfs/dbraw/zinc/26/14/01/598261401.db2.gz CHMYOHNWOSNATG-UHFFFAOYSA-N -1 1 383.437 1.585 20 0 GDADMM O=S(=O)(NCCCn1ccc2ccccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000738337466 598261402 /nfs/dbraw/zinc/26/14/02/598261402.db2.gz CHMYOHNWOSNATG-UHFFFAOYSA-N -1 1 383.437 1.585 20 0 GDADMM COc1cccc([C@H]2CCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737131190 598262520 /nfs/dbraw/zinc/26/25/20/598262520.db2.gz VVEHECHVYXXYLE-MRXNPFEDSA-N -1 1 386.437 1.796 20 0 GDADMM COc1cccc([C@H]2CCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737131190 598262522 /nfs/dbraw/zinc/26/25/22/598262522.db2.gz VVEHECHVYXXYLE-MRXNPFEDSA-N -1 1 386.437 1.796 20 0 GDADMM COc1ccccc1CN(C1CC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737151163 598267702 /nfs/dbraw/zinc/26/77/02/598267702.db2.gz YLUDVWLZSYYZPK-UHFFFAOYSA-N -1 1 386.437 1.624 20 0 GDADMM COc1ccccc1CN(C1CC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737151163 598267704 /nfs/dbraw/zinc/26/77/04/598267704.db2.gz YLUDVWLZSYYZPK-UHFFFAOYSA-N -1 1 386.437 1.624 20 0 GDADMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2cc(F)ccc2Br)c1=O ZINC000736712775 598277880 /nfs/dbraw/zinc/27/78/80/598277880.db2.gz BPPFHOQYPTWASX-UHFFFAOYSA-N -1 1 395.192 1.160 20 0 GDADMM O=C(N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1)C1(C(F)(F)F)CC1 ZINC000737996952 598298087 /nfs/dbraw/zinc/29/80/87/598298087.db2.gz SLKDBHNMYKLEQY-UHFFFAOYSA-N -1 1 397.361 1.723 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC[C@H](C2OCCO2)C1 ZINC000737546872 598311897 /nfs/dbraw/zinc/31/18/97/598311897.db2.gz ICJWXQZBJFRIOE-ZDUSSCGKSA-N -1 1 398.423 1.784 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC[C@H](C2OCCO2)C1 ZINC000737546872 598311898 /nfs/dbraw/zinc/31/18/98/598311898.db2.gz ICJWXQZBJFRIOE-ZDUSSCGKSA-N -1 1 398.423 1.784 20 0 GDADMM c1nn(-c2ccccc2)cc1CN1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000738425702 598337625 /nfs/dbraw/zinc/33/76/25/598337625.db2.gz MNJBUPLIHXGSIL-UHFFFAOYSA-N -1 1 388.439 1.165 20 0 GDADMM c1nn(-c2ccccc2)cc1CN1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000738425702 598337627 /nfs/dbraw/zinc/33/76/27/598337627.db2.gz MNJBUPLIHXGSIL-UHFFFAOYSA-N -1 1 388.439 1.165 20 0 GDADMM Brc1ccc(N2CCN(c3nccnc3-c3nnn[n-]3)CC2)nc1 ZINC000735369863 598343394 /nfs/dbraw/zinc/34/33/94/598343394.db2.gz ZBQLGMMAEVAPJT-UHFFFAOYSA-N -1 1 388.233 1.141 20 0 GDADMM Brc1ccc(N2CCN(c3nccnc3-c3nn[n-]n3)CC2)nc1 ZINC000735369863 598343395 /nfs/dbraw/zinc/34/33/95/598343395.db2.gz ZBQLGMMAEVAPJT-UHFFFAOYSA-N -1 1 388.233 1.141 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)NCCCc2cnn(C)c2)c1-c1nn[n-]n1 ZINC000737189769 598367525 /nfs/dbraw/zinc/36/75/25/598367525.db2.gz QFVLHBBRKUFOLC-UHFFFAOYSA-N -1 1 398.496 1.957 20 0 GDADMM CCc1nn(Cc2ccn(-c3ccccc3)n2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736707811 598378209 /nfs/dbraw/zinc/37/82/09/598378209.db2.gz UHACLIABLCDFFL-UHFFFAOYSA-N -1 1 376.424 1.782 20 0 GDADMM Cc1cccc(C)c1NC(=O)CN1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC000737388185 598384524 /nfs/dbraw/zinc/38/45/24/598384524.db2.gz BVBWNHXHTAUTRO-UHFFFAOYSA-N -1 1 393.455 1.034 20 0 GDADMM Cc1cccc(C)c1NC(=O)CN1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC000737388185 598384526 /nfs/dbraw/zinc/38/45/26/598384526.db2.gz BVBWNHXHTAUTRO-UHFFFAOYSA-N -1 1 393.455 1.034 20 0 GDADMM Clc1cccc([C@H](CNc2nccnc2-c2nnn[n-]2)N2CCOCC2)c1 ZINC000737573942 598393618 /nfs/dbraw/zinc/39/36/18/598393618.db2.gz HSPPJPDSXLASSH-AWEZNQCLSA-N -1 1 386.847 1.796 20 0 GDADMM Clc1cccc([C@H](CNc2nccnc2-c2nn[n-]n2)N2CCOCC2)c1 ZINC000737573942 598393620 /nfs/dbraw/zinc/39/36/20/598393620.db2.gz HSPPJPDSXLASSH-AWEZNQCLSA-N -1 1 386.847 1.796 20 0 GDADMM COC(=O)C1CCC(NC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)CC1 ZINC000736907714 598410445 /nfs/dbraw/zinc/41/04/45/598410445.db2.gz CTDZRZTZUTUPSE-UHFFFAOYSA-N -1 1 392.441 1.151 20 0 GDADMM COC(=O)[C@@H]1C[C@H]1C(=O)OCc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000736910616 598474739 /nfs/dbraw/zinc/47/47/39/598474739.db2.gz PWGRSPJHEQDZAV-CHWSQXEVSA-N -1 1 382.380 1.213 20 0 GDADMM Cc1oc(NC(=O)COC(=O)c2cnn(C)c2C(F)F)c(-c2nn[n-]n2)c1C ZINC000737551055 598475401 /nfs/dbraw/zinc/47/54/01/598475401.db2.gz DDZMTEPHBNTKFH-UHFFFAOYSA-N -1 1 395.326 1.543 20 0 GDADMM O=C([C@H]1CCCOC1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000737791824 598500533 /nfs/dbraw/zinc/50/05/33/598500533.db2.gz LMNMKTIZEWHMKH-LBPRGKRZSA-N -1 1 399.411 1.190 20 0 GDADMM O=C1CCCN1c1cccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000738304545 598513641 /nfs/dbraw/zinc/51/36/41/598513641.db2.gz OLAGRWBHERUNDX-UHFFFAOYSA-N -1 1 384.421 1.794 20 0 GDADMM O=C(Cc1cccc(F)c1)NCCNc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000737968668 598579802 /nfs/dbraw/zinc/57/98/02/598579802.db2.gz LFBASKOCJGDBKZ-UHFFFAOYSA-N -1 1 375.795 1.825 20 0 GDADMM O=C(Cc1cccc(F)c1)NCCNc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000737968668 598579803 /nfs/dbraw/zinc/57/98/03/598579803.db2.gz LFBASKOCJGDBKZ-UHFFFAOYSA-N -1 1 375.795 1.825 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCc1ccccc1C(N)=O ZINC000737199525 598584869 /nfs/dbraw/zinc/58/48/69/598584869.db2.gz HOFBWUSBDBDUDJ-UHFFFAOYSA-N -1 1 396.407 1.359 20 0 GDADMM CCc1nn(Cc2cnn(-c3ccccc3)c2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705825 598641802 /nfs/dbraw/zinc/64/18/02/598641802.db2.gz BJLQOKBLULNCOF-UHFFFAOYSA-N -1 1 376.424 1.782 20 0 GDADMM COC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000736947898 598685362 /nfs/dbraw/zinc/68/53/62/598685362.db2.gz NIJHUBFQVOCVGE-UHFFFAOYSA-N -1 1 391.384 1.271 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC[C@H](OCCO)C1 ZINC000822535204 607363213 /nfs/dbraw/zinc/36/32/13/607363213.db2.gz JNBNJFAMMLGCOM-ZDUSSCGKSA-N -1 1 386.412 1.172 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC[C@H](OCCO)C1 ZINC000822535204 607363214 /nfs/dbraw/zinc/36/32/14/607363214.db2.gz JNBNJFAMMLGCOM-ZDUSSCGKSA-N -1 1 386.412 1.172 20 0 GDADMM Cc1oc(NC(=O)COC(=O)c2cc(N)nc(Cl)c2)c(-c2nn[n-]n2)c1C ZINC000737553463 598710812 /nfs/dbraw/zinc/71/08/12/598710812.db2.gz WOWKKFIASYCIGS-UHFFFAOYSA-N -1 1 391.775 1.503 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC[C@]1(C)CCOC1 ZINC000737486335 598809625 /nfs/dbraw/zinc/80/96/25/598809625.db2.gz DGAALLCNXYCIQX-SFHVURJKSA-N -1 1 384.444 1.002 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC[C@]1(C)CCOC1 ZINC000737486335 598809626 /nfs/dbraw/zinc/80/96/26/598809626.db2.gz DGAALLCNXYCIQX-SFHVURJKSA-N -1 1 384.444 1.002 20 0 GDADMM CCCN(c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)[C@@H](C)c1ccccc1OC ZINC000736480333 598815595 /nfs/dbraw/zinc/81/55/95/598815595.db2.gz NFBXURHUBBELOH-LBPRGKRZSA-N -1 1 399.455 1.250 20 0 GDADMM CCCCOCC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000736460580 599303107 /nfs/dbraw/zinc/30/31/07/599303107.db2.gz NSVIRRUBWKXHSW-UHFFFAOYSA-N -1 1 375.433 1.197 20 0 GDADMM O=S(=O)([N-]c1c2nsnc2ccc1Cl)c1ccc(-c2nn[nH]n2)nc1 ZINC000823583377 599307820 /nfs/dbraw/zinc/30/78/20/599307820.db2.gz QDRBKIWTIXBOLG-UHFFFAOYSA-N -1 1 394.829 1.721 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@H](C)C(=O)OC(C)C ZINC000737198967 599314510 /nfs/dbraw/zinc/31/45/10/599314510.db2.gz FEAXTEHRQSEMOL-JTQLQIEISA-N -1 1 390.444 1.221 20 0 GDADMM CC(=O)NCC1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000819810252 599339569 /nfs/dbraw/zinc/33/95/69/599339569.db2.gz DHERGKYBLMGETF-UHFFFAOYSA-N -1 1 398.876 1.057 20 0 GDADMM Cc1csc([C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C2CC2)n1 ZINC000822409119 599354845 /nfs/dbraw/zinc/35/48/45/599354845.db2.gz MKKYQMDDRAOCME-LBPRGKRZSA-N -1 1 377.455 1.456 20 0 GDADMM Cc1csc([C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C2CC2)n1 ZINC000822409119 599354848 /nfs/dbraw/zinc/35/48/48/599354848.db2.gz MKKYQMDDRAOCME-LBPRGKRZSA-N -1 1 377.455 1.456 20 0 GDADMM Cc1cnc([C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C2CC2)s1 ZINC000822389167 599356384 /nfs/dbraw/zinc/35/63/84/599356384.db2.gz NRUUNLKVFGDCDI-LBPRGKRZSA-N -1 1 377.455 1.456 20 0 GDADMM Cc1cnc([C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C2CC2)s1 ZINC000822389167 599356387 /nfs/dbraw/zinc/35/63/87/599356387.db2.gz NRUUNLKVFGDCDI-LBPRGKRZSA-N -1 1 377.455 1.456 20 0 GDADMM CCCC[C@H](COC)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000736439631 599380225 /nfs/dbraw/zinc/38/02/25/599380225.db2.gz XYJHEXLSOIDSLK-CYBMUJFWSA-N -1 1 376.461 1.838 20 0 GDADMM O=S(=O)(C=Cc1ccccc1)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000738317414 599396042 /nfs/dbraw/zinc/39/60/42/599396042.db2.gz JXNKNOQKJCBCNA-NTEUORMPSA-N -1 1 397.464 1.384 20 0 GDADMM O=S(=O)(C=Cc1ccccc1)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000738317414 599396045 /nfs/dbraw/zinc/39/60/45/599396045.db2.gz JXNKNOQKJCBCNA-NTEUORMPSA-N -1 1 397.464 1.384 20 0 GDADMM CN(C)c1ccccc1N(C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000821590719 607376084 /nfs/dbraw/zinc/37/60/84/607376084.db2.gz CDISOTLIBDYLJG-UHFFFAOYSA-N -1 1 376.417 1.897 20 0 GDADMM CN(C)c1ccccc1N(C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000821590719 607376086 /nfs/dbraw/zinc/37/60/86/607376086.db2.gz CDISOTLIBDYLJG-UHFFFAOYSA-N -1 1 376.417 1.897 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@H](O)C1CCOCC1 ZINC000737546270 599497341 /nfs/dbraw/zinc/49/73/41/599497341.db2.gz CPQKLHBGJTYSAL-ZDUSSCGKSA-N -1 1 386.412 1.076 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@H](O)C1CCOCC1 ZINC000737546270 599497344 /nfs/dbraw/zinc/49/73/44/599497344.db2.gz CPQKLHBGJTYSAL-ZDUSSCGKSA-N -1 1 386.412 1.076 20 0 GDADMM CSC(C)(C)CNC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000821943582 599548821 /nfs/dbraw/zinc/54/88/21/599548821.db2.gz WWLOGKARAWHBMH-UHFFFAOYSA-N -1 1 388.501 1.717 20 0 GDADMM CSC(C)(C)CNC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000821943582 599548823 /nfs/dbraw/zinc/54/88/23/599548823.db2.gz WWLOGKARAWHBMH-UHFFFAOYSA-N -1 1 388.501 1.717 20 0 GDADMM CN(Cc1cc2c(cc1OC(F)F)OCO2)c1nccnc1-c1nnn[n-]1 ZINC000821608499 599575675 /nfs/dbraw/zinc/57/56/75/599575675.db2.gz KECRPVLMTHYMPV-UHFFFAOYSA-N -1 1 377.311 1.623 20 0 GDADMM CN(Cc1cc2c(cc1OC(F)F)OCO2)c1nccnc1-c1nn[n-]n1 ZINC000821608499 599575677 /nfs/dbraw/zinc/57/56/77/599575677.db2.gz KECRPVLMTHYMPV-UHFFFAOYSA-N -1 1 377.311 1.623 20 0 GDADMM O=C(/C=C\C1CC1)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000823017536 599669990 /nfs/dbraw/zinc/66/99/90/599669990.db2.gz AZYKZLFPPLCCKQ-HJWRWDBZSA-N -1 1 379.380 1.500 20 0 GDADMM O=C(/C=C\C1CC1)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000823017536 599669991 /nfs/dbraw/zinc/66/99/91/599669991.db2.gz AZYKZLFPPLCCKQ-HJWRWDBZSA-N -1 1 379.380 1.500 20 0 GDADMM C[C@H](C(=O)NCC(=O)[O-])N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000736209301 599770254 /nfs/dbraw/zinc/77/02/54/599770254.db2.gz SAOPHEWXRAYCCD-CYBMUJFWSA-N -1 1 387.402 1.802 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc3c(c2)C(=O)NC3)c(C(=O)[O-])s1 ZINC000737679645 599815617 /nfs/dbraw/zinc/81/56/17/599815617.db2.gz BUFGIINQGYKLMP-UHFFFAOYSA-N -1 1 396.402 1.277 20 0 GDADMM Cc1cscc1NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000826320874 607396780 /nfs/dbraw/zinc/39/67/80/607396780.db2.gz IIWKGDFGIQOYAT-NSHDSACASA-N -1 1 385.457 1.769 20 0 GDADMM Cc1cscc1NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000826320874 607396782 /nfs/dbraw/zinc/39/67/82/607396782.db2.gz IIWKGDFGIQOYAT-NSHDSACASA-N -1 1 385.457 1.769 20 0 GDADMM COc1ccc([C@H](NCC2=Nc3ccccc3S(=O)(=O)N2)C(=O)[O-])cc1 ZINC000737972892 599860808 /nfs/dbraw/zinc/86/08/08/599860808.db2.gz OUYPHUZROKDMGY-INIZCTEOSA-N -1 1 375.406 1.433 20 0 GDADMM C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820659504 607405191 /nfs/dbraw/zinc/40/51/91/607405191.db2.gz YNIURYISZLWUTJ-AAEUAGOBSA-N -1 1 387.444 1.780 20 0 GDADMM C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820659504 607405193 /nfs/dbraw/zinc/40/51/93/607405193.db2.gz YNIURYISZLWUTJ-AAEUAGOBSA-N -1 1 387.444 1.780 20 0 GDADMM CCCCn1c([C@H](CC)N(C)C)nn(CN2CCO[C@H](C(=O)[O-])C2)c1=S ZINC000737004099 599955294 /nfs/dbraw/zinc/95/52/94/599955294.db2.gz MJAOZNQHLWWULH-KBPBESRZSA-N -1 1 385.534 1.970 20 0 GDADMM CCCCn1c([C@H](CC)N(C)C)nn(CN2CCO[C@@H](C(=O)[O-])C2)c1=S ZINC000737004113 599955481 /nfs/dbraw/zinc/95/54/81/599955481.db2.gz MJAOZNQHLWWULH-UONOGXRCSA-N -1 1 385.534 1.970 20 0 GDADMM CC[C@@H]1CN(CC(=O)NCc2ccc(NC(=O)[O-])cc2)CC[N@H+]1CCOC ZINC000736944798 599960948 /nfs/dbraw/zinc/96/09/48/599960948.db2.gz UONBJGIMIONHBF-QGZVFWFLSA-N -1 1 378.473 1.435 20 0 GDADMM CC[C@@H]1CN(CC(=O)NCc2ccc(NC(=O)[O-])cc2)CCN1CCOC ZINC000736944798 599960950 /nfs/dbraw/zinc/96/09/50/599960950.db2.gz UONBJGIMIONHBF-QGZVFWFLSA-N -1 1 378.473 1.435 20 0 GDADMM CC(=O)N1CCCCC[C@@H]1C1CCN(CC(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000736135158 599994567 /nfs/dbraw/zinc/99/45/67/599994567.db2.gz OKDUUEFMUYSJEU-LJQANCHMSA-N -1 1 393.528 1.813 20 0 GDADMM C[C@H](CN1CCN(C)CC1)NC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000736587374 600032422 /nfs/dbraw/zinc/03/24/22/600032422.db2.gz XPFVAXRUHOXYPE-CQSZACIVSA-N -1 1 399.495 1.570 20 0 GDADMM COc1ccc(CNC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)cc1C(=O)[O-] ZINC000738001470 600036617 /nfs/dbraw/zinc/03/66/17/600036617.db2.gz DXLXMGHUIKHDSG-JKSUJKDBSA-N -1 1 377.441 1.134 20 0 GDADMM CN(CCCN1C(=O)CS/C1=C\C(=O)[O-])[C@@H]1CCN(c2ccccc2)C1=O ZINC000737438242 600157661 /nfs/dbraw/zinc/15/76/61/600157661.db2.gz HOEUFZKPEDLYOH-UHVIJJLKSA-N -1 1 389.477 1.615 20 0 GDADMM O=C([O-])CNC(=O)COC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000739809147 600195255 /nfs/dbraw/zinc/19/52/55/600195255.db2.gz NQXDNDSFQQCEKZ-INIZCTEOSA-N -1 1 388.342 1.185 20 0 GDADMM CN(C(=O)CNC(=O)c1c[nH]c2ccccc2c1=O)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737321934 600195746 /nfs/dbraw/zinc/19/57/46/600195746.db2.gz IVZZJVOCDHRIPI-GOSISDBHSA-N -1 1 393.399 1.542 20 0 GDADMM CCOC[C@H](O)CN1CCN(c2nc(C)nc3sc(C(=O)[O-])c(C)c32)CC1 ZINC000737163161 600228368 /nfs/dbraw/zinc/22/83/68/600228368.db2.gz ZDPRWRGKDWQHOL-CYBMUJFWSA-N -1 1 394.497 1.526 20 0 GDADMM O=C([O-])CN(CCN1CCOCC1)C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000739786206 600265030 /nfs/dbraw/zinc/26/50/30/600265030.db2.gz LNBCMQUFICEJGS-UHFFFAOYSA-N -1 1 376.388 1.075 20 0 GDADMM CN1CCN(C)[C@@H](CNC(=O)Nc2cccc(CSCCC(=O)[O-])c2)C1 ZINC000737526920 600278380 /nfs/dbraw/zinc/27/83/80/600278380.db2.gz ZIFMFXILAOQVMD-INIZCTEOSA-N -1 1 380.514 1.762 20 0 GDADMM O=C([O-])[C@@H]1CC12CCN(C(=O)CCn1c(=O)c3ccccc3[nH]c1=S)CC2 ZINC000739526832 600278597 /nfs/dbraw/zinc/27/85/97/600278597.db2.gz QITJBEQHOGUAEN-ZDUSSCGKSA-N -1 1 387.461 1.789 20 0 GDADMM COCCOc1cccc(CNC(=O)CN2CCC3(C[C@H]3C(=O)[O-])CC2)c1 ZINC000737820122 600299916 /nfs/dbraw/zinc/29/99/16/600299916.db2.gz ATYUJANLPWEOLU-KRWDZBQOSA-N -1 1 376.453 1.515 20 0 GDADMM COc1ccc(CCNC(=O)CN2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1OC ZINC000737991645 600311547 /nfs/dbraw/zinc/31/15/47/600311547.db2.gz CUBNLWHYQWQKRB-OAHLLOKOSA-N -1 1 376.453 1.549 20 0 GDADMM CCC[C@@](C)(NCC(=O)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1)C(=O)[O-] ZINC000736960812 600322793 /nfs/dbraw/zinc/32/27/93/600322793.db2.gz QJVOWLXORJASHL-MGPUTAFESA-N -1 1 381.517 1.717 20 0 GDADMM CCC[C@](C)(NCC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)C(=O)[O-] ZINC000736963007 600324001 /nfs/dbraw/zinc/32/40/01/600324001.db2.gz JEUYKQBLAWXRAB-FQEVSTJZSA-N -1 1 391.468 1.008 20 0 GDADMM CC[C@H]1CN(C(=O)Nc2cc(C(=O)[O-])cc(C(=O)OC)c2)CCN1CCOC ZINC000736941500 600329541 /nfs/dbraw/zinc/32/95/41/600329541.db2.gz XUQSLJMHQRIMBT-INIZCTEOSA-N -1 1 393.440 1.746 20 0 GDADMM CC(C)N1CCO[C@H](CN2CCN(C(=O)Nc3ccccc3C(=O)[O-])CC2)C1 ZINC000736475481 600329731 /nfs/dbraw/zinc/32/97/31/600329731.db2.gz WRKSRICQIFMZAA-MRXNPFEDSA-N -1 1 390.484 1.644 20 0 GDADMM CCN(Cc1ccc2c(c1)OCCO2)C(=O)CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000737105993 600332077 /nfs/dbraw/zinc/33/20/77/600332077.db2.gz JGVGRTPQNNCFMY-MRXNPFEDSA-N -1 1 388.464 1.993 20 0 GDADMM CN(C)C[C@H](NC(=O)C(=O)Nc1ccc(CNC(=O)[O-])cc1)c1ccccc1 ZINC000737360767 600360374 /nfs/dbraw/zinc/36/03/74/600360374.db2.gz NWCJZTRQLYRIJP-KRWDZBQOSA-N -1 1 384.436 1.812 20 0 GDADMM C[C@H](CN(C)CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)[O-] ZINC000736573839 600370776 /nfs/dbraw/zinc/37/07/76/600370776.db2.gz WUCPZMWVKILSRA-CYBMUJFWSA-N -1 1 383.470 1.062 20 0 GDADMM CCN(CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)[O-])C[C@@H]1CCOC1 ZINC000737069766 600508265 /nfs/dbraw/zinc/50/82/65/600508265.db2.gz RQAWDVKVOANTDO-NSHDSACASA-N -1 1 384.454 1.838 20 0 GDADMM CC[C@@H](O)CN1CCN(CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)CC1 ZINC000736926837 600557738 /nfs/dbraw/zinc/55/77/38/600557738.db2.gz KQNIWHHBZFANFK-CYBMUJFWSA-N -1 1 395.525 1.652 20 0 GDADMM C[C@@H]1CN(CCCNC(=O)Nc2nnc(CCCC(=O)[O-])s2)C[C@@H](C)O1 ZINC000736811447 600633555 /nfs/dbraw/zinc/63/35/55/600633555.db2.gz QVJHXIFSBMZZRQ-VXGBXAGGSA-N -1 1 385.490 1.566 20 0 GDADMM COC(=O)[C@@H](NCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)c1ccccc1 ZINC000826111934 607459301 /nfs/dbraw/zinc/45/93/01/607459301.db2.gz OOTNYAORYPORTA-HNNXBMFYSA-N -1 1 384.396 1.519 20 0 GDADMM Cc1oc(CN(C)C(=O)CCN2CCN(c3ccccn3)CC2)cc1C(=O)[O-] ZINC000738966698 600759793 /nfs/dbraw/zinc/75/97/93/600759793.db2.gz CPSPNRRZVVAHOV-UHFFFAOYSA-N -1 1 386.452 1.852 20 0 GDADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 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C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCc1nnc(-c2ccccc2)o1 ZINC000833624862 605142910 /nfs/dbraw/zinc/14/29/10/605142910.db2.gz LHQLOERFNOUYAI-CQSZACIVSA-N -1 1 387.440 1.470 20 0 GDADMM CCc1nc([C@@H]2CN(C(=O)N[C@H](C)[C@@H]3CCCN(C(=O)[O-])C3)CCO2)n[nH]1 ZINC000827619855 605161961 /nfs/dbraw/zinc/16/19/61/605161961.db2.gz CMDZMCLAWWIKOB-UPJWGTAASA-N -1 1 380.449 1.229 20 0 GDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1CCCCN1C(=O)c1ccco1 ZINC000833626226 605162434 /nfs/dbraw/zinc/16/24/34/605162434.db2.gz YXYNGQNTDNIQLR-HUUCEWRRSA-N -1 1 377.441 1.282 20 0 GDADMM COc1ccc(C2(C(=O)N3CCN(CCC(=O)[O-])C[C@@H]3C)CCOCC2)cc1 ZINC000833731078 605163350 /nfs/dbraw/zinc/16/33/50/605163350.db2.gz PSTJXZKVCRQOQM-INIZCTEOSA-N -1 1 390.480 1.751 20 0 GDADMM CC(C)N1CCO[C@H](CN2CCN(C(=O)Nc3cncc(C(=O)[O-])c3)CC2)C1 ZINC000833502012 605170160 /nfs/dbraw/zinc/17/01/60/605170160.db2.gz MACBNIJDJCFMJD-QGZVFWFLSA-N -1 1 391.472 1.039 20 0 GDADMM C[C@@H]1CCCN(CCNS(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])C1 ZINC000833614749 605185115 /nfs/dbraw/zinc/18/51/15/605185115.db2.gz UAZIXRYTMBXHPK-CYBMUJFWSA-N -1 1 377.466 1.943 20 0 GDADMM CC(C)NC(=O)c1ccccc1NC(=O)CN1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833501539 605192590 /nfs/dbraw/zinc/19/25/90/605192590.db2.gz BRMJDHGCJSLIHO-HNNXBMFYSA-N -1 1 390.484 1.244 20 0 GDADMM CC1CCC2(CC1)OC[C@H](CNC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)O2 ZINC000833610336 605214668 /nfs/dbraw/zinc/21/46/68/605214668.db2.gz KUVOYMPPLVAPNQ-IOSXPMGOSA-N -1 1 383.489 1.499 20 0 GDADMM CC(C)(C)NC(=O)CN1CCC(CNC(=O)Cc2ccccc2C(=O)[O-])CC1 ZINC000833430746 605255622 /nfs/dbraw/zinc/25/56/22/605255622.db2.gz BKZVYYUJCDIFOQ-UHFFFAOYSA-N -1 1 389.496 1.670 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CC(=O)N(CN(CCC(=O)[O-])C2CCOCC2)C1 ZINC000833439905 605266178 /nfs/dbraw/zinc/26/61/78/605266178.db2.gz BQCHHTFFWPWGRK-CYBMUJFWSA-N -1 1 385.461 1.025 20 0 GDADMM C[C@H]1CN(C(=O)[C@@H]2CCCCN2C(=O)c2cccs2)CCN1CCC(=O)[O-] ZINC000833617694 605278133 /nfs/dbraw/zinc/27/81/33/605278133.db2.gz GESNPTYDMWCVKR-GJZGRUSLSA-N -1 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C[C@H](CNC(=O)[O-])CNC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000833807471 605823238 /nfs/dbraw/zinc/82/32/38/605823238.db2.gz KMXIOASIYKFEGE-UAGQMJEPSA-N -1 1 378.473 1.072 20 0 GDADMM C[C@H]1C[C@H](CNC(=O)[O-])CN1CC(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000833831723 605902932 /nfs/dbraw/zinc/90/29/32/605902932.db2.gz OYSKEGIMJBTBQE-DOTOQJQBSA-N -1 1 390.484 1.435 20 0 GDADMM CCOC(=O)C1=C(CN2CC[C@H](NC(=O)[O-])C2)NC(=O)N[C@H]1c1ccccc1 ZINC000739469376 605934058 /nfs/dbraw/zinc/93/40/58/605934058.db2.gz YAHBQPOSBGMLLT-BBRMVZONSA-N -1 1 388.424 1.200 20 0 GDADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)C(F)(F)C3(O)CCC3)cc2)n1 ZINC000834246475 605935280 /nfs/dbraw/zinc/93/52/80/605935280.db2.gz DSOGYTCIQLUVBC-UHFFFAOYSA-N -1 1 381.339 1.728 20 0 GDADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)C(F)(F)C3(O)CCC3)cc2)n[nH]1 ZINC000834246475 605935283 /nfs/dbraw/zinc/93/52/83/605935283.db2.gz DSOGYTCIQLUVBC-UHFFFAOYSA-N -1 1 381.339 1.728 20 0 GDADMM O=C([O-])NC[C@@H]1CCCCN1C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000834215869 605965709 /nfs/dbraw/zinc/96/57/09/605965709.db2.gz NYPJIMDSSJGPCK-KRWDZBQOSA-N -1 1 375.473 1.878 20 0 GDADMM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000834095194 605990782 /nfs/dbraw/zinc/99/07/82/605990782.db2.gz TYWXQNNKVJPYNL-NEPJUHHUSA-N -1 1 388.449 1.429 20 0 GDADMM CC(=O)c1csc(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)n1 ZINC000819844719 606021199 /nfs/dbraw/zinc/02/11/99/606021199.db2.gz LHQIRBPKPGKCHN-UHFFFAOYSA-N -1 1 387.425 1.815 20 0 GDADMM Cc1oc(NC(=O)[C@H](C)N2CC[C@](O)(C(F)(F)F)C2)c(-c2nn[n-]n2)c1C ZINC000822541347 606084903 /nfs/dbraw/zinc/08/49/03/606084903.db2.gz NKBMSGXPCYLBSI-RMLUDKJBSA-N -1 1 388.350 1.403 20 0 GDADMM O=C(N[C@@H]1CCN(CCCc2ccccc2)C1=O)c1ccc(-c2nnn[n-]2)s1 ZINC000823154570 606117398 /nfs/dbraw/zinc/11/73/98/606117398.db2.gz GPVZBGIGDLQAMN-CQSZACIVSA-N -1 1 396.476 1.892 20 0 GDADMM O=C(N[C@@H]1CCN(CCCc2ccccc2)C1=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823154570 606117399 /nfs/dbraw/zinc/11/73/99/606117399.db2.gz GPVZBGIGDLQAMN-CQSZACIVSA-N -1 1 396.476 1.892 20 0 GDADMM CCc1nc(CN2CCN(c3snc(Cl)c3-c3nnn[n-]3)CC2)no1 ZINC000821509253 606124597 /nfs/dbraw/zinc/12/45/97/606124597.db2.gz DYZNUAOWZZDRIC-UHFFFAOYSA-N -1 1 381.853 1.244 20 0 GDADMM CCc1nc(CN2CCN(c3snc(Cl)c3-c3nn[n-]n3)CC2)no1 ZINC000821509253 606124599 /nfs/dbraw/zinc/12/45/99/606124599.db2.gz DYZNUAOWZZDRIC-UHFFFAOYSA-N -1 1 381.853 1.244 20 0 GDADMM CC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820513202 606133921 /nfs/dbraw/zinc/13/39/21/606133921.db2.gz XJINCWJGDAKJLG-SECBINFHSA-N -1 1 375.414 1.890 20 0 GDADMM CC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820513202 606133923 /nfs/dbraw/zinc/13/39/23/606133923.db2.gz XJINCWJGDAKJLG-SECBINFHSA-N -1 1 375.414 1.890 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N(C)Cc1ccc[nH]1 ZINC000822459857 606150124 /nfs/dbraw/zinc/15/01/24/606150124.db2.gz ZHOIVBDQZQBENN-UHFFFAOYSA-N -1 1 379.428 1.446 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N(C)Cc1ccc[nH]1 ZINC000822459857 606150127 /nfs/dbraw/zinc/15/01/27/606150127.db2.gz ZHOIVBDQZQBENN-UHFFFAOYSA-N -1 1 379.428 1.446 20 0 GDADMM CC(C)[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1nc2ccccc2[nH]1 ZINC000820026068 606158262 /nfs/dbraw/zinc/15/82/62/606158262.db2.gz HCCSUCZHLKSOKK-CYBMUJFWSA-N -1 1 380.416 1.995 20 0 GDADMM CC(C)[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1nc2ccccc2[nH]1 ZINC000820026068 606158264 /nfs/dbraw/zinc/15/82/64/606158264.db2.gz HCCSUCZHLKSOKK-CYBMUJFWSA-N -1 1 380.416 1.995 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCCC(=O)N2CCc3ccccc32)n1 ZINC000822614621 606170665 /nfs/dbraw/zinc/17/06/65/606170665.db2.gz OVNAFCOSOVKPIS-UHFFFAOYSA-N -1 1 395.427 1.091 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCCC(=O)N2CCc3ccccc32)n1 ZINC000822614621 606170666 /nfs/dbraw/zinc/17/06/66/606170666.db2.gz OVNAFCOSOVKPIS-UHFFFAOYSA-N -1 1 395.427 1.091 20 0 GDADMM CC[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc2c(c1)OCCO2 ZINC000820920132 606171105 /nfs/dbraw/zinc/17/11/05/606171105.db2.gz LOHWUKQKJUNHFS-GFCCVEGCSA-N -1 1 384.400 1.644 20 0 GDADMM CC[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc2c(c1)OCCO2 ZINC000820920132 606171107 /nfs/dbraw/zinc/17/11/07/606171107.db2.gz LOHWUKQKJUNHFS-GFCCVEGCSA-N -1 1 384.400 1.644 20 0 GDADMM COc1cc(OC)c(C(=O)N(C)c2snc(C)c2-c2nnn[n-]2)cc1OC ZINC000821724451 606237029 /nfs/dbraw/zinc/23/70/29/606237029.db2.gz VINLPFVQKDULKY-UHFFFAOYSA-N -1 1 390.425 1.934 20 0 GDADMM COc1cc(OC)c(C(=O)N(C)c2snc(C)c2-c2nn[n-]n2)cc1OC ZINC000821724451 606237031 /nfs/dbraw/zinc/23/70/31/606237031.db2.gz VINLPFVQKDULKY-UHFFFAOYSA-N -1 1 390.425 1.934 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@]1(C)CCCC[C@H]1O ZINC000822005882 606326502 /nfs/dbraw/zinc/32/65/02/606326502.db2.gz VGNCUYNFMWZFKG-KUHUBIRLSA-N -1 1 388.472 1.574 20 0 GDADMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(-c2nn[nH]n2)ccc1O ZINC000822227474 606337255 /nfs/dbraw/zinc/33/72/55/606337255.db2.gz KCNPCBNSFMLDFS-UHFFFAOYSA-N -1 1 375.366 1.380 20 0 GDADMM CC(C)c1n[nH]c(C(N)=O)c1[N-]S(=O)(=O)c1cc(C(F)(F)F)nn1C ZINC000530139074 649965355 /nfs/dbraw/zinc/96/53/55/649965355.db2.gz SNKWLPMVSRLQNW-UHFFFAOYSA-N -1 1 380.352 1.185 20 0 GDADMM CO[C@@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C1 ZINC000821697490 606435525 /nfs/dbraw/zinc/43/55/25/606435525.db2.gz CBRARBVQPJAOJO-SECBINFHSA-N -1 1 377.348 1.295 20 0 GDADMM C[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1cccc(S(N)(=O)=O)c1 ZINC000820455330 606443060 /nfs/dbraw/zinc/44/30/60/606443060.db2.gz GZVWLMOSVNNHFQ-QMMMGPOBSA-N -1 1 379.833 1.736 20 0 GDADMM C[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)c1cccc(S(N)(=O)=O)c1 ZINC000820455330 606443062 /nfs/dbraw/zinc/44/30/62/606443062.db2.gz GZVWLMOSVNNHFQ-QMMMGPOBSA-N -1 1 379.833 1.736 20 0 GDADMM COC(=O)c1sc(N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)nc1Cl ZINC000821671351 606443342 /nfs/dbraw/zinc/44/33/42/606443342.db2.gz SEFARSAKNYQDFN-UHFFFAOYSA-N -1 1 397.852 1.138 20 0 GDADMM O=S(=O)(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823573006 606474669 /nfs/dbraw/zinc/47/46/69/606474669.db2.gz PZYUKYARFKQWBZ-NXEZZACHSA-N -1 1 390.391 1.909 20 0 GDADMM O=S(=O)(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823573006 606474671 /nfs/dbraw/zinc/47/46/71/606474671.db2.gz PZYUKYARFKQWBZ-NXEZZACHSA-N -1 1 390.391 1.909 20 0 GDADMM O=C(Oc1ccccc1C(=O)N1CCOCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823454281 606499411 /nfs/dbraw/zinc/49/94/11/606499411.db2.gz MKGJTSYYYXHXOZ-UHFFFAOYSA-N -1 1 385.405 1.620 20 0 GDADMM O=C(Oc1ccccc1C(=O)N1CCOCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823454281 606499413 /nfs/dbraw/zinc/49/94/13/606499413.db2.gz MKGJTSYYYXHXOZ-UHFFFAOYSA-N -1 1 385.405 1.620 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000823493463 606507378 /nfs/dbraw/zinc/50/73/78/606507378.db2.gz NVUWUKHFHYBVOR-UHFFFAOYSA-N -1 1 386.412 1.666 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000823493463 606507380 /nfs/dbraw/zinc/50/73/80/606507380.db2.gz NVUWUKHFHYBVOR-UHFFFAOYSA-N -1 1 386.412 1.666 20 0 GDADMM C[C@H]1CN(c2ccc(CNC(=O)c3ccc(-c4nn[n-]n4)s3)cn2)C[C@H](C)O1 ZINC000820768850 606511137 /nfs/dbraw/zinc/51/11/37/606511137.db2.gz QIIAFNHQTNXQQT-RYUDHWBXSA-N -1 1 399.480 1.867 20 0 GDADMM Cc1occc1C(=O)NC1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000822554346 606548069 /nfs/dbraw/zinc/54/80/69/606548069.db2.gz YCPPJHSWHVVLKR-UHFFFAOYSA-N -1 1 386.437 1.864 20 0 GDADMM Cc1occc1C(=O)NC1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000822554346 606548070 /nfs/dbraw/zinc/54/80/70/606548070.db2.gz YCPPJHSWHVVLKR-UHFFFAOYSA-N -1 1 386.437 1.864 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)CCN1C[C@H](O)c1ccccc1 ZINC000820741972 606566108 /nfs/dbraw/zinc/56/61/08/606566108.db2.gz GXUKCDDUVJQGIX-ZFWWWQNUSA-N -1 1 398.492 1.808 20 0 GDADMM CN(CCN1CCN(c2ccccc2)CC1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821602810 606569758 /nfs/dbraw/zinc/56/97/58/606569758.db2.gz WCAMHKIHJBWVFW-UHFFFAOYSA-N -1 1 397.508 1.822 20 0 GDADMM Cc1ccc(NS(C)(=O)=O)c(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000822259076 606572978 /nfs/dbraw/zinc/57/29/78/606572978.db2.gz LTTUPNFWCPHGGC-UHFFFAOYSA-N -1 1 378.439 1.860 20 0 GDADMM Cc1ccc(NS(C)(=O)=O)c(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000822259076 606572980 /nfs/dbraw/zinc/57/29/80/606572980.db2.gz LTTUPNFWCPHGGC-UHFFFAOYSA-N -1 1 378.439 1.860 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@H]1CCO[C@H]1C(C)C ZINC000822004630 606586041 /nfs/dbraw/zinc/58/60/41/606586041.db2.gz JXYZTOHQQPSMBK-DYVFJYSZSA-N -1 1 388.472 1.694 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000823488641 606591860 /nfs/dbraw/zinc/59/18/60/606591860.db2.gz QVYNWJTUEMJZBZ-UHFFFAOYSA-N -1 1 384.421 1.232 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(Nc2ccc(COC(C)(C)C)cc2)n(C)c1=O ZINC000822601303 606592695 /nfs/dbraw/zinc/59/26/95/606592695.db2.gz XKRFVQQFOVFSBU-UHFFFAOYSA-N -1 1 385.428 1.323 20 0 GDADMM CC1CC(C(=O)N2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)C1 ZINC000820650614 606618641 /nfs/dbraw/zinc/61/86/41/606618641.db2.gz WEEYJKJOZDUZMS-UHFFFAOYSA-N -1 1 383.412 1.809 20 0 GDADMM COc1cccc(CCNC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)n1 ZINC000821867664 606623194 /nfs/dbraw/zinc/62/31/94/606623194.db2.gz ITGIVUIZIHSQIZ-UHFFFAOYSA-N -1 1 397.439 1.279 20 0 GDADMM Cc1nccn1C[C@@H](C)OC(=O)CCc1c(C)[nH]c(=O)c(-c2nnn[n-]2)c1C ZINC000822010363 606632747 /nfs/dbraw/zinc/63/27/47/606632747.db2.gz ZLWJFKKLLDKUIG-SNVBAGLBSA-N -1 1 385.428 1.654 20 0 GDADMM COc1ccc(-n2nnc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)c2C)cc1 ZINC000821769087 606647259 /nfs/dbraw/zinc/64/72/59/606647259.db2.gz CQEXELXUIWQPLU-UHFFFAOYSA-N -1 1 392.379 1.516 20 0 GDADMM COc1ccc(-n2nnc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)c2C)cc1 ZINC000821769087 606647260 /nfs/dbraw/zinc/64/72/60/606647260.db2.gz CQEXELXUIWQPLU-UHFFFAOYSA-N -1 1 392.379 1.516 20 0 GDADMM CC(=O)CCc1ccc(OCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000819782007 606648560 /nfs/dbraw/zinc/64/85/60/606648560.db2.gz HGNPAGQPRYNRGJ-UHFFFAOYSA-N -1 1 381.392 1.906 20 0 GDADMM CC(=O)CCc1ccc(OCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000819782007 606648561 /nfs/dbraw/zinc/64/85/61/606648561.db2.gz HGNPAGQPRYNRGJ-UHFFFAOYSA-N -1 1 381.392 1.906 20 0 GDADMM CCc1ccc(N2C[C@@H](C(=O)OCc3ccnc(-c4nnn[n-]4)c3)CC2=O)cc1 ZINC000821486788 606649441 /nfs/dbraw/zinc/64/94/41/606649441.db2.gz LPVWKDDZMKTJKL-HNNXBMFYSA-N -1 1 392.419 1.920 20 0 GDADMM CCc1ccc(N2C[C@@H](C(=O)OCc3ccnc(-c4nn[n-]n4)c3)CC2=O)cc1 ZINC000821486788 606649442 /nfs/dbraw/zinc/64/94/42/606649442.db2.gz LPVWKDDZMKTJKL-HNNXBMFYSA-N -1 1 392.419 1.920 20 0 GDADMM O=C(CSc1ccc2c(c1)OCCO2)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823071044 606651989 /nfs/dbraw/zinc/65/19/89/606651989.db2.gz YTXWSKJADAHQLH-UHFFFAOYSA-N -1 1 385.405 1.868 20 0 GDADMM O=C(CSc1ccc2c(c1)OCCO2)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823071044 606651990 /nfs/dbraw/zinc/65/19/90/606651990.db2.gz YTXWSKJADAHQLH-UHFFFAOYSA-N -1 1 385.405 1.868 20 0 GDADMM CC[C@H]1CN(C)c2ccccc2CN1C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820994483 606697167 /nfs/dbraw/zinc/69/71/67/606697167.db2.gz ITPBXVMHTFRRLN-ZDUSSCGKSA-N -1 1 381.444 1.863 20 0 GDADMM CC[C@H]1CN(C)c2ccccc2CN1C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820994483 606697168 /nfs/dbraw/zinc/69/71/68/606697168.db2.gz ITPBXVMHTFRRLN-ZDUSSCGKSA-N -1 1 381.444 1.863 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC[C@H](CO)c2ccccc2)cc1-c1nn[n-]n1 ZINC000821979281 606698085 /nfs/dbraw/zinc/69/80/85/606698085.db2.gz QPLCAPQPBLJMOE-LLVKDONJSA-N -1 1 386.437 1.195 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCC1=CCCCC1 ZINC000820789166 606762533 /nfs/dbraw/zinc/76/25/33/606762533.db2.gz WUVVRMQDILGHSW-CQSZACIVSA-N -1 1 397.487 1.767 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCC1=CCCCC1 ZINC000820789166 606762535 /nfs/dbraw/zinc/76/25/35/606762535.db2.gz WUVVRMQDILGHSW-CQSZACIVSA-N -1 1 397.487 1.767 20 0 GDADMM Cc1ccc(NS(=O)(=O)c2ccc(F)cc2-c2nn[nH]n2)c(C(=O)[O-])c1 ZINC000822259503 606764251 /nfs/dbraw/zinc/76/42/51/606764251.db2.gz ZMLPDVWUKUDICV-UHFFFAOYSA-N -1 1 377.357 1.813 20 0 GDADMM Cc1csc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)n1 ZINC000822414797 606768381 /nfs/dbraw/zinc/76/83/81/606768381.db2.gz UXAPFDXAWWOFBQ-JTQLQIEISA-N -1 1 386.445 1.164 20 0 GDADMM Cc1csc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)n1 ZINC000822414797 606768383 /nfs/dbraw/zinc/76/83/83/606768383.db2.gz UXAPFDXAWWOFBQ-JTQLQIEISA-N -1 1 386.445 1.164 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1nnc(C(C)(C)C)o1 ZINC000820804635 606780734 /nfs/dbraw/zinc/78/07/34/606780734.db2.gz WMVIEECBXASUGW-LLVKDONJSA-N -1 1 384.448 1.048 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1nnc(C(C)(C)C)o1 ZINC000820804635 606780736 /nfs/dbraw/zinc/78/07/36/606780736.db2.gz WMVIEECBXASUGW-LLVKDONJSA-N -1 1 384.448 1.048 20 0 GDADMM Cc1ccccc1NC(=O)CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000822361991 606784195 /nfs/dbraw/zinc/78/41/95/606784195.db2.gz MFZKEUXVAMNRSY-CQSZACIVSA-N -1 1 393.455 1.114 20 0 GDADMM Cc1ccccc1NC(=O)CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000822361991 606784196 /nfs/dbraw/zinc/78/41/96/606784196.db2.gz MFZKEUXVAMNRSY-CQSZACIVSA-N -1 1 393.455 1.114 20 0 GDADMM CC[C@H](C)C[C@H](C)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820870150 606794152 /nfs/dbraw/zinc/79/41/52/606794152.db2.gz NVUUTLUCEQOPNP-MELADBBJSA-N -1 1 387.492 1.702 20 0 GDADMM CC[C@H](C)C[C@H](C)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820870150 606794154 /nfs/dbraw/zinc/79/41/54/606794154.db2.gz NVUUTLUCEQOPNP-MELADBBJSA-N -1 1 387.492 1.702 20 0 GDADMM CC[C@H](C)C[C@H](C)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820870149 606794430 /nfs/dbraw/zinc/79/44/30/606794430.db2.gz NVUUTLUCEQOPNP-IHRRRGAJSA-N -1 1 387.492 1.702 20 0 GDADMM CC[C@H](C)C[C@H](C)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820870149 606794432 /nfs/dbraw/zinc/79/44/32/606794432.db2.gz NVUUTLUCEQOPNP-IHRRRGAJSA-N -1 1 387.492 1.702 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000823601124 606795477 /nfs/dbraw/zinc/79/54/77/606795477.db2.gz SBQXXXUOPLOQPI-CYBMUJFWSA-N -1 1 390.400 1.243 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC(=Cc3ccccc3F)CC2)n(C)c1=O ZINC000822601113 606802261 /nfs/dbraw/zinc/80/22/61/606802261.db2.gz UCSRNOCHXSDSDE-UHFFFAOYSA-N -1 1 397.414 1.087 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc(F)c(F)c1 ZINC000820789060 606819999 /nfs/dbraw/zinc/81/99/99/606819999.db2.gz UWFOMBNYWKMKRG-SNVBAGLBSA-N -1 1 386.366 1.286 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc(F)c(F)c1 ZINC000820789060 606820000 /nfs/dbraw/zinc/82/00/00/606820000.db2.gz UWFOMBNYWKMKRG-SNVBAGLBSA-N -1 1 386.366 1.286 20 0 GDADMM CCn1c(C)cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1C ZINC000821564013 606820566 /nfs/dbraw/zinc/82/05/66/606820566.db2.gz PQJQRGVGLGKTHB-CYBMUJFWSA-N -1 1 395.471 1.446 20 0 GDADMM CCn1c(C)cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1C ZINC000821564013 606820567 /nfs/dbraw/zinc/82/05/67/606820567.db2.gz PQJQRGVGLGKTHB-CYBMUJFWSA-N -1 1 395.471 1.446 20 0 GDADMM Cc1cccc(CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1 ZINC000822299837 606822320 /nfs/dbraw/zinc/82/23/20/606822320.db2.gz WLKCBGDULYXKQN-AWEZNQCLSA-N -1 1 378.440 1.245 20 0 GDADMM Cc1cccc(CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1 ZINC000822299837 606822323 /nfs/dbraw/zinc/82/23/23/606822323.db2.gz WLKCBGDULYXKQN-AWEZNQCLSA-N -1 1 378.440 1.245 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1ccccc1F ZINC000820774906 606824880 /nfs/dbraw/zinc/82/48/80/606824880.db2.gz GWYUVLLCPPJZJH-ZDUSSCGKSA-N -1 1 396.430 1.466 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1ccccc1F ZINC000820774906 606824882 /nfs/dbraw/zinc/82/48/82/606824882.db2.gz GWYUVLLCPPJZJH-ZDUSSCGKSA-N -1 1 396.430 1.466 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C=Cc1cccs1 ZINC000820778973 606825154 /nfs/dbraw/zinc/82/51/54/606825154.db2.gz ZMVQRQLQKJODFU-ZYOFXKKJSA-N -1 1 382.453 1.469 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C=Cc1cccs1 ZINC000820778973 606825155 /nfs/dbraw/zinc/82/51/55/606825155.db2.gz ZMVQRQLQKJODFU-ZYOFXKKJSA-N -1 1 382.453 1.469 20 0 GDADMM Cc1noc(C(C)C)c1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000822520344 606855516 /nfs/dbraw/zinc/85/55/16/606855516.db2.gz YLQWCQHYHMEYPJ-NSHDSACASA-N -1 1 397.443 1.427 20 0 GDADMM Cc1noc(C(C)C)c1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000822520344 606855517 /nfs/dbraw/zinc/85/55/17/606855517.db2.gz YLQWCQHYHMEYPJ-NSHDSACASA-N -1 1 397.443 1.427 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000823478571 606937345 /nfs/dbraw/zinc/93/73/45/606937345.db2.gz MCVPCFJNQHLHDE-DOTOQJQBSA-N -1 1 380.408 1.226 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000823478571 606937346 /nfs/dbraw/zinc/93/73/46/606937346.db2.gz MCVPCFJNQHLHDE-DOTOQJQBSA-N -1 1 380.408 1.226 20 0 GDADMM CC(=O)N1CCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)[C@@H](C)C1 ZINC000819796979 606966352 /nfs/dbraw/zinc/96/63/52/606966352.db2.gz RBTFKHKVNXGGOA-NSHDSACASA-N -1 1 383.412 1.252 20 0 GDADMM CC(=O)N1CCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)[C@@H](C)C1 ZINC000819796979 606966353 /nfs/dbraw/zinc/96/63/53/606966353.db2.gz RBTFKHKVNXGGOA-NSHDSACASA-N -1 1 383.412 1.252 20 0 GDADMM COC(C)(C)CN(C)C(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000821672190 606987553 /nfs/dbraw/zinc/98/75/53/606987553.db2.gz BQVACDSBUJQUKN-UHFFFAOYSA-N -1 1 386.460 1.342 20 0 GDADMM COC(C)(C)CN(C)C(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000821672190 606987554 /nfs/dbraw/zinc/98/75/54/606987554.db2.gz BQVACDSBUJQUKN-UHFFFAOYSA-N -1 1 386.460 1.342 20 0 GDADMM C[C@@H](CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1ccncc1 ZINC000820219204 607019277 /nfs/dbraw/zinc/01/92/77/607019277.db2.gz DHOVSAFSHHJPAN-UONOGXRCSA-N -1 1 393.455 1.283 20 0 GDADMM C[C@@H](CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1ccncc1 ZINC000820219204 607019280 /nfs/dbraw/zinc/01/92/80/607019280.db2.gz DHOVSAFSHHJPAN-UONOGXRCSA-N -1 1 393.455 1.283 20 0 GDADMM O[C@H](C1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1)C(F)(F)F ZINC000823672617 607034357 /nfs/dbraw/zinc/03/43/57/607034357.db2.gz FRKPSSPRBKCUJZ-CQSZACIVSA-N -1 1 379.346 1.950 20 0 GDADMM O[C@H](C1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1)C(F)(F)F ZINC000823672617 607034359 /nfs/dbraw/zinc/03/43/59/607034359.db2.gz FRKPSSPRBKCUJZ-CQSZACIVSA-N -1 1 379.346 1.950 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCN(Cc2ccccc2Cl)CC1 ZINC000823477759 607045584 /nfs/dbraw/zinc/04/55/84/607045584.db2.gz BAFXJKNVGMBRFD-UHFFFAOYSA-N -1 1 383.843 1.873 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCN(Cc2ccccc2Cl)CC1 ZINC000823477759 607045586 /nfs/dbraw/zinc/04/55/86/607045586.db2.gz BAFXJKNVGMBRFD-UHFFFAOYSA-N -1 1 383.843 1.873 20 0 GDADMM C[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C[C@@H]1n1ccnc1 ZINC000820727243 607052442 /nfs/dbraw/zinc/05/24/42/607052442.db2.gz JMDMSVACKIXQIX-YPMHNXCESA-N -1 1 391.432 1.474 20 0 GDADMM C[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C[C@@H]1n1ccnc1 ZINC000820727243 607052444 /nfs/dbraw/zinc/05/24/44/607052444.db2.gz JMDMSVACKIXQIX-YPMHNXCESA-N -1 1 391.432 1.474 20 0 GDADMM Cc1nc2cc(NC(=O)NCCCc3[nH]nc(N)c3-c3nnn[n-]3)ccc2o1 ZINC000822458622 607073482 /nfs/dbraw/zinc/07/34/82/607073482.db2.gz GCNRBRKLRIKHFP-UHFFFAOYSA-N -1 1 382.388 1.376 20 0 GDADMM Cc1nc2cc(NC(=O)NCCCc3[nH]nc(N)c3-c3nn[n-]n3)ccc2o1 ZINC000822458622 607073484 /nfs/dbraw/zinc/07/34/84/607073484.db2.gz GCNRBRKLRIKHFP-UHFFFAOYSA-N -1 1 382.388 1.376 20 0 GDADMM CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000819908217 607103984 /nfs/dbraw/zinc/10/39/84/607103984.db2.gz YCKCZXGOUIYMJI-QMMMGPOBSA-N -1 1 381.487 1.599 20 0 GDADMM CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000819908217 607103985 /nfs/dbraw/zinc/10/39/85/607103985.db2.gz YCKCZXGOUIYMJI-QMMMGPOBSA-N -1 1 381.487 1.599 20 0 GDADMM CC(C)S(=O)(=O)c1ccc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)cc1 ZINC000820183698 607105463 /nfs/dbraw/zinc/10/54/63/607105463.db2.gz JGAJKEJHDKSRPW-UHFFFAOYSA-N -1 1 378.439 1.758 20 0 GDADMM CC(C)S(=O)(=O)c1ccc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)cc1 ZINC000820183698 607105465 /nfs/dbraw/zinc/10/54/65/607105465.db2.gz JGAJKEJHDKSRPW-UHFFFAOYSA-N -1 1 378.439 1.758 20 0 GDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000823380321 607107844 /nfs/dbraw/zinc/10/78/44/607107844.db2.gz WEHICGRJTUYNLQ-SSDOTTSWSA-N -1 1 391.363 1.593 20 0 GDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000823380321 607107846 /nfs/dbraw/zinc/10/78/46/607107846.db2.gz WEHICGRJTUYNLQ-SSDOTTSWSA-N -1 1 391.363 1.593 20 0 GDADMM O=C(Cc1ccccc1)N1CCC[C@@H]1C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000823380178 607110650 /nfs/dbraw/zinc/11/06/50/607110650.db2.gz RTZQOYSAXGTYBV-GFCCVEGCSA-N -1 1 383.437 1.495 20 0 GDADMM O=C(Cc1ccccc1)N1CCC[C@@H]1C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000823380178 607110651 /nfs/dbraw/zinc/11/06/51/607110651.db2.gz RTZQOYSAXGTYBV-GFCCVEGCSA-N -1 1 383.437 1.495 20 0 GDADMM O=C(COC(=O)[C@@H]1CC12CCC2)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000823017822 607135161 /nfs/dbraw/zinc/13/51/61/607135161.db2.gz CRBCEBGRAGJENR-AWEZNQCLSA-N -1 1 393.407 1.724 20 0 GDADMM O=C(COC(=O)[C@@H]1CC12CCC2)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000823017822 607135164 /nfs/dbraw/zinc/13/51/64/607135164.db2.gz CRBCEBGRAGJENR-AWEZNQCLSA-N -1 1 393.407 1.724 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000822004123 607168991 /nfs/dbraw/zinc/16/89/91/607168991.db2.gz AVECRHPWIUWICO-ZDUSSCGKSA-N -1 1 386.456 1.735 20 0 GDADMM OC[C@H](CNc1nccnc1-c1nnn[n-]1)Cc1ccccc1C(F)(F)F ZINC000823706849 607176832 /nfs/dbraw/zinc/17/68/32/607176832.db2.gz PYJCRGXXYZNMPO-JTQLQIEISA-N -1 1 379.346 1.939 20 0 GDADMM OC[C@H](CNc1nccnc1-c1nn[n-]n1)Cc1ccccc1C(F)(F)F ZINC000823706849 607176833 /nfs/dbraw/zinc/17/68/33/607176833.db2.gz PYJCRGXXYZNMPO-JTQLQIEISA-N -1 1 379.346 1.939 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000823123072 607209979 /nfs/dbraw/zinc/20/99/79/607209979.db2.gz MSNMHNBWAYDEAN-KNVOCYPGSA-N -1 1 398.271 1.048 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1ccc(Oc2cccnc2)c(F)c1 ZINC000823131692 607210956 /nfs/dbraw/zinc/21/09/56/607210956.db2.gz MAHFVLGNUQFZTR-UHFFFAOYSA-N -1 1 395.358 1.101 20 0 GDADMM CC(C)CCOc1ccc([C@H](C)NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000820076712 607212273 /nfs/dbraw/zinc/21/22/73/607212273.db2.gz RYSZDBNZGHNWLN-ZDUSSCGKSA-N -1 1 384.444 1.761 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCC1(Sc2ccccc2)CCCC1 ZINC000823127108 607216371 /nfs/dbraw/zinc/21/63/71/607216371.db2.gz TYRPIUACQJGJHB-UHFFFAOYSA-N -1 1 384.469 1.680 20 0 GDADMM Cc1ccc(-n2nc(C(C)C)cc2NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000822224812 607219050 /nfs/dbraw/zinc/21/90/50/607219050.db2.gz AXHAQTUMNRZNBE-UHFFFAOYSA-N -1 1 392.427 1.714 20 0 GDADMM Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000822233586 607220271 /nfs/dbraw/zinc/22/02/71/607220271.db2.gz RNUYUDFGNFAKDM-GOEBONIOSA-N -1 1 382.428 1.051 20 0 GDADMM C[C@@H](CCNC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1cccc(C(F)(F)F)c1 ZINC000820242751 607220568 /nfs/dbraw/zinc/22/05/68/607220568.db2.gz QNLLPWPRTRYOLN-JTQLQIEISA-N -1 1 394.361 1.787 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCc2cc(-c3ccccc3)oc2C1 ZINC000823127083 607221155 /nfs/dbraw/zinc/22/11/55/607221155.db2.gz SBOWVOQDDYOHTA-UHFFFAOYSA-N -1 1 376.380 1.303 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC1(c2c(Cl)cccc2Cl)CC1 ZINC000823127013 607224178 /nfs/dbraw/zinc/22/41/78/607224178.db2.gz QRXUNGQWRXGBMV-UHFFFAOYSA-N -1 1 379.211 1.571 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)Nc2cnc(N(C)C)nc2)c1-c1nn[n-]n1 ZINC000826231502 607775389 /nfs/dbraw/zinc/77/53/89/607775389.db2.gz NSOFYLVNPINOER-UHFFFAOYSA-N -1 1 397.468 1.969 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1C[C@H](C)Oc2ncccc21 ZINC000826233061 607791616 /nfs/dbraw/zinc/79/16/16/607791616.db2.gz SFVGJIZDDHXPSU-JTQLQIEISA-N -1 1 395.423 1.726 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000826232606 607824996 /nfs/dbraw/zinc/82/49/96/607824996.db2.gz ABJOGEFQOXLZQH-IAOVAPTHSA-N -1 1 398.467 1.591 20 0 GDADMM O=S(=O)(N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826488557 607853157 /nfs/dbraw/zinc/85/31/57/607853157.db2.gz SUGUVQBFJLJKNE-DFBGVHRSSA-N -1 1 393.444 1.632 20 0 GDADMM CCOC(=O)[C@@H]1CCCN(C(=O)COc2cccc(F)c2-c2nnn[n-]2)C1 ZINC000825499998 607864494 /nfs/dbraw/zinc/86/44/94/607864494.db2.gz ZZGGJQUEBFOCDT-LLVKDONJSA-N -1 1 377.376 1.186 20 0 GDADMM CCOC(=O)[C@@H]1CCCN(C(=O)COc2cccc(F)c2-c2nn[n-]n2)C1 ZINC000825499998 607864495 /nfs/dbraw/zinc/86/44/95/607864495.db2.gz ZZGGJQUEBFOCDT-LLVKDONJSA-N -1 1 377.376 1.186 20 0 GDADMM COc1cc(NCc2ccnc(-c3nnn[n-]3)c2)ccc1S(=O)(=O)N(C)C ZINC000826180880 607931280 /nfs/dbraw/zinc/93/12/80/607931280.db2.gz BFNJINLAKVDETO-UHFFFAOYSA-N -1 1 389.441 1.133 20 0 GDADMM COc1cc(NCc2ccnc(-c3nn[n-]n3)c2)ccc1S(=O)(=O)N(C)C ZINC000826180880 607931281 /nfs/dbraw/zinc/93/12/81/607931281.db2.gz BFNJINLAKVDETO-UHFFFAOYSA-N -1 1 389.441 1.133 20 0 GDADMM CC(C)CNS(=O)(=O)c1ccc(CNc2nccnc2-c2nnn[n-]2)cc1 ZINC000824266004 607968006 /nfs/dbraw/zinc/96/80/06/607968006.db2.gz AZJRZUULKIPGAQ-UHFFFAOYSA-N -1 1 388.457 1.203 20 0 GDADMM CC(C)CNS(=O)(=O)c1ccc(CNc2nccnc2-c2nn[n-]n2)cc1 ZINC000824266004 607968007 /nfs/dbraw/zinc/96/80/07/607968007.db2.gz AZJRZUULKIPGAQ-UHFFFAOYSA-N -1 1 388.457 1.203 20 0 GDADMM C[C@H](CC(=O)c1ccccc1)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824392161 607970914 /nfs/dbraw/zinc/97/09/14/607970914.db2.gz MZFATTVQHLUMGB-LLVKDONJSA-N -1 1 389.412 1.946 20 0 GDADMM CN1C(=O)C[C@@H](C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])[C@@H]1c1cccnc1 ZINC000826010044 607997353 /nfs/dbraw/zinc/99/73/53/607997353.db2.gz BFPWFOVFFCIUGU-WBMJQRKESA-N -1 1 379.380 1.125 20 0 GDADMM CS(=O)(=O)c1ccc(F)c(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1 ZINC000826224029 607998074 /nfs/dbraw/zinc/99/80/74/607998074.db2.gz LCSDYRQZUVIQEH-UHFFFAOYSA-N -1 1 377.357 1.367 20 0 GDADMM COc1ccc(OC)c(CCCNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC000826211029 608008055 /nfs/dbraw/zinc/00/80/55/608008055.db2.gz MTEDEPGFOARIQO-UHFFFAOYSA-N -1 1 386.416 1.372 20 0 GDADMM COc1ccc(OC)c(CCCNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC000826211029 608008056 /nfs/dbraw/zinc/00/80/56/608008056.db2.gz MTEDEPGFOARIQO-UHFFFAOYSA-N -1 1 386.416 1.372 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCC[C@H]1CCCO ZINC000826328617 608015110 /nfs/dbraw/zinc/01/51/10/608015110.db2.gz XNRKVAWVAPPQAS-AWEZNQCLSA-N -1 1 398.471 1.222 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCC[C@H]1CCCO ZINC000826328617 608015111 /nfs/dbraw/zinc/01/51/11/608015111.db2.gz XNRKVAWVAPPQAS-AWEZNQCLSA-N -1 1 398.471 1.222 20 0 GDADMM O=S(=O)(N[C@H]1CCc2nccn2C1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826489550 608055995 /nfs/dbraw/zinc/05/59/95/608055995.db2.gz UBGBEVQEBOQRBL-VIFPVBQESA-N -1 1 379.833 1.010 20 0 GDADMM Cn1cc(Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Br)ccc32)nn1 ZINC000826362285 608077486 /nfs/dbraw/zinc/07/74/86/608077486.db2.gz LXWKIFVSOJJMOZ-UHFFFAOYSA-N -1 1 387.201 1.121 20 0 GDADMM O=C1C[C@H](C2CC2)CN1CN1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000826479000 608096882 /nfs/dbraw/zinc/09/68/82/608096882.db2.gz NWIHLFWSVXVFOU-AWEZNQCLSA-N -1 1 398.471 1.070 20 0 GDADMM CC(C)c1ccc(Cn2[nH]ccc2=NC(=O)Cn2ccnc2-c2nnn[n-]2)cc1 ZINC000824347893 608147809 /nfs/dbraw/zinc/14/78/09/608147809.db2.gz RFARHMOKLKETKG-UHFFFAOYSA-N -1 1 391.439 1.492 20 0 GDADMM CC(C)c1ccc(Cn2[nH]ccc2=NC(=O)Cn2ccnc2-c2nn[n-]n2)cc1 ZINC000824347893 608147812 /nfs/dbraw/zinc/14/78/12/608147812.db2.gz RFARHMOKLKETKG-UHFFFAOYSA-N -1 1 391.439 1.492 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H]1CCO[C@]2(CCOC2)C1 ZINC000826340729 608169235 /nfs/dbraw/zinc/16/92/35/608169235.db2.gz IOZSZURSIYMJNZ-ORAYPTAESA-N -1 1 398.423 1.627 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H]1CCO[C@]2(CCOC2)C1 ZINC000826340729 608169236 /nfs/dbraw/zinc/16/92/36/608169236.db2.gz IOZSZURSIYMJNZ-ORAYPTAESA-N -1 1 398.423 1.627 20 0 GDADMM Clc1nsc(Sc2nnc(N3CCOCC3)s2)c1-c1nnn[n-]1 ZINC000826354688 608179193 /nfs/dbraw/zinc/17/91/93/608179193.db2.gz QFFQPPPJCRWAKN-UHFFFAOYSA-N -1 1 388.891 1.816 20 0 GDADMM Clc1nsc(Sc2nnc(N3CCOCC3)s2)c1-c1nn[n-]n1 ZINC000826354688 608179194 /nfs/dbraw/zinc/17/91/94/608179194.db2.gz QFFQPPPJCRWAKN-UHFFFAOYSA-N -1 1 388.891 1.816 20 0 GDADMM O=C(N[C@@H](CO)c1cccc(Br)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826426786 608185007 /nfs/dbraw/zinc/18/50/07/608185007.db2.gz WPGNSCBCXLUUID-ZDUSSCGKSA-N -1 1 389.213 1.488 20 0 GDADMM O=C(N[C@@H](CO)c1cccc(Br)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826426786 608185009 /nfs/dbraw/zinc/18/50/09/608185009.db2.gz WPGNSCBCXLUUID-ZDUSSCGKSA-N -1 1 389.213 1.488 20 0 GDADMM C[C@@H](Sc1ccccn1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824764243 608212691 /nfs/dbraw/zinc/21/26/91/608212691.db2.gz URCVKJNKXWTILM-SNVBAGLBSA-N -1 1 387.473 1.139 20 0 GDADMM C[C@@H](Sc1ccccn1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824764243 608212693 /nfs/dbraw/zinc/21/26/93/608212693.db2.gz URCVKJNKXWTILM-SNVBAGLBSA-N -1 1 387.473 1.139 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)N2CCN3C(=O)CC[C@H]3C2)c1-c1nn[n-]n1 ZINC000826231717 608251611 /nfs/dbraw/zinc/25/16/11/608251611.db2.gz XFBYCCLLEINRCX-NSHDSACASA-N -1 1 399.480 1.308 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)n1 ZINC000826357312 608306635 /nfs/dbraw/zinc/30/66/35/608306635.db2.gz ZWWIRUBPOJJYPU-JTQLQIEISA-N -1 1 383.420 1.007 20 0 GDADMM CC(C)CC[C@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824243987 608338283 /nfs/dbraw/zinc/33/82/83/608338283.db2.gz ORBGNNMUPGMSRD-NSHDSACASA-N -1 1 376.465 1.698 20 0 GDADMM CC(C)CC[C@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824243987 608338284 /nfs/dbraw/zinc/33/82/84/608338284.db2.gz ORBGNNMUPGMSRD-NSHDSACASA-N -1 1 376.465 1.698 20 0 GDADMM Cc1ccccc1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826307342 608341294 /nfs/dbraw/zinc/34/12/94/608341294.db2.gz DQIQZVCUNSOVQJ-UHFFFAOYSA-N -1 1 382.428 1.382 20 0 GDADMM Cc1ccccc1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826307342 608341296 /nfs/dbraw/zinc/34/12/96/608341296.db2.gz DQIQZVCUNSOVQJ-UHFFFAOYSA-N -1 1 382.428 1.382 20 0 GDADMM CC(C)C1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CC1 ZINC000824226501 608353993 /nfs/dbraw/zinc/35/39/93/608353993.db2.gz ZNNANAOMEJMLFE-UHFFFAOYSA-N -1 1 388.476 1.651 20 0 GDADMM CC(C)C1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CC1 ZINC000824226501 608353995 /nfs/dbraw/zinc/35/39/95/608353995.db2.gz ZNNANAOMEJMLFE-UHFFFAOYSA-N -1 1 388.476 1.651 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N2CCC[C@@H]3CCC[C@H]32)n1 ZINC000824141731 608354307 /nfs/dbraw/zinc/35/43/07/608354307.db2.gz MQSDDYFLCNRBDJ-WCQYABFASA-N -1 1 386.460 1.548 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N2CCC[C@@H]3CCC[C@H]32)n1 ZINC000824141731 608354308 /nfs/dbraw/zinc/35/43/08/608354308.db2.gz MQSDDYFLCNRBDJ-WCQYABFASA-N -1 1 386.460 1.548 20 0 GDADMM C[C@@H]1CCC[C@H](C)CN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824929995 608355087 /nfs/dbraw/zinc/35/50/87/608355087.db2.gz ZCSYKYJJZIVSRY-NWDGAFQWSA-N -1 1 388.476 1.794 20 0 GDADMM C[C@@H]1CCC[C@H](C)CN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824929995 608355089 /nfs/dbraw/zinc/35/50/89/608355089.db2.gz ZCSYKYJJZIVSRY-NWDGAFQWSA-N -1 1 388.476 1.794 20 0 GDADMM FC(F)c1nnc(N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)s1 ZINC000826370090 608366774 /nfs/dbraw/zinc/36/67/74/608366774.db2.gz DDZLPUWTXMFFFU-UHFFFAOYSA-N -1 1 395.399 1.848 20 0 GDADMM O=C1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000826477974 608418687 /nfs/dbraw/zinc/41/86/87/608418687.db2.gz QOJXCTDUNHAKDO-GFCCVEGCSA-N -1 1 390.329 1.893 20 0 GDADMM O=C1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000826477974 608418688 /nfs/dbraw/zinc/41/86/88/608418688.db2.gz QOJXCTDUNHAKDO-GFCCVEGCSA-N -1 1 390.329 1.893 20 0 GDADMM O[C@H](CNc1ccc(-c2nnn[n-]2)nn1)COc1ccccc1Br ZINC000826503180 608433089 /nfs/dbraw/zinc/43/30/89/608433089.db2.gz SGPHESRDCZJUEV-SECBINFHSA-N -1 1 392.217 1.271 20 0 GDADMM O[C@H](CNc1ccc(-c2nn[n-]n2)nn1)COc1ccccc1Br ZINC000826503180 608433091 /nfs/dbraw/zinc/43/30/91/608433091.db2.gz SGPHESRDCZJUEV-SECBINFHSA-N -1 1 392.217 1.271 20 0 GDADMM O=C(NC[C@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1)Nc1ccccc1 ZINC000826435217 608436018 /nfs/dbraw/zinc/43/60/18/608436018.db2.gz IZIFDLYKXCINPH-CQSZACIVSA-N -1 1 379.428 1.837 20 0 GDADMM O=C(NC[C@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1)Nc1ccccc1 ZINC000826435217 608436020 /nfs/dbraw/zinc/43/60/20/608436020.db2.gz IZIFDLYKXCINPH-CQSZACIVSA-N -1 1 379.428 1.837 20 0 GDADMM CN1CCO[C@@H]([C@H](Nc2ccc(-c3nn[n-]n3)nn2)c2ccc(Cl)cc2)C1 ZINC000826044710 608440933 /nfs/dbraw/zinc/44/09/33/608440933.db2.gz JOBMMMWOJZNOJM-GDBMZVCRSA-N -1 1 386.847 1.794 20 0 GDADMM COc1ccc(C(=O)N2CCN(Cc3ccc(-c4nnn[n-]4)o3)CC2)cc1OC ZINC000826187628 608513522 /nfs/dbraw/zinc/51/35/22/608513522.db2.gz ZTBWWTBAPQZGOH-UHFFFAOYSA-N -1 1 398.423 1.435 20 0 GDADMM COc1ccc(C(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)o3)CC2)cc1OC ZINC000826187628 608513523 /nfs/dbraw/zinc/51/35/23/608513523.db2.gz ZTBWWTBAPQZGOH-UHFFFAOYSA-N -1 1 398.423 1.435 20 0 GDADMM Cc1ccc(-c2nnn[n-]2)nc1N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000826280818 608542893 /nfs/dbraw/zinc/54/28/93/608542893.db2.gz REDGDAXHOXSKNC-UHFFFAOYSA-N -1 1 393.407 1.261 20 0 GDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000826280818 608542895 /nfs/dbraw/zinc/54/28/95/608542895.db2.gz REDGDAXHOXSKNC-UHFFFAOYSA-N -1 1 393.407 1.261 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1ccc(F)c(F)c1 ZINC000825930106 608549361 /nfs/dbraw/zinc/54/93/61/608549361.db2.gz PRYCMTBQOSQZMX-UHFFFAOYSA-N -1 1 377.359 1.547 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1ccc(F)c(F)c1 ZINC000825930106 608549363 /nfs/dbraw/zinc/54/93/63/608549363.db2.gz PRYCMTBQOSQZMX-UHFFFAOYSA-N -1 1 377.359 1.547 20 0 GDADMM CSc1ccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000826230950 608549385 /nfs/dbraw/zinc/54/93/85/608549385.db2.gz QGONBXSJXNNYAZ-UHFFFAOYSA-N -1 1 387.473 1.990 20 0 GDADMM CSc1ccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000826230950 608549387 /nfs/dbraw/zinc/54/93/87/608549387.db2.gz QGONBXSJXNNYAZ-UHFFFAOYSA-N -1 1 387.473 1.990 20 0 GDADMM CN1C(=O)C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)[C@H]1c1ccc(Cl)cc1 ZINC000826010266 608552408 /nfs/dbraw/zinc/55/24/08/608552408.db2.gz GNTJAXJYXYXBSI-GDBMZVCRSA-N -1 1 397.826 1.617 20 0 GDADMM CN1C(=O)C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)[C@H]1c1ccc(Cl)cc1 ZINC000826010266 608552410 /nfs/dbraw/zinc/55/24/10/608552410.db2.gz GNTJAXJYXYXBSI-GDBMZVCRSA-N -1 1 397.826 1.617 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Cc1c(F)cccc1F ZINC000825930108 608560453 /nfs/dbraw/zinc/56/04/53/608560453.db2.gz PSIMMRBPTXNTOT-UHFFFAOYSA-N -1 1 376.371 1.084 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Cc1c(F)cccc1F ZINC000825930108 608560455 /nfs/dbraw/zinc/56/04/55/608560455.db2.gz PSIMMRBPTXNTOT-UHFFFAOYSA-N -1 1 376.371 1.084 20 0 GDADMM COc1cc(C)nc(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)n1 ZINC000826178568 608570237 /nfs/dbraw/zinc/57/02/37/608570237.db2.gz CXPUODKIDIIXQR-UHFFFAOYSA-N -1 1 384.400 1.262 20 0 GDADMM CC(C)n1cc(CN2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)cn1 ZINC000824371727 608589714 /nfs/dbraw/zinc/58/97/14/608589714.db2.gz PWOOVTWJRKVNSY-UHFFFAOYSA-N -1 1 383.460 1.832 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(COc2ccccc2)cc1 ZINC000826425884 608592524 /nfs/dbraw/zinc/59/25/24/608592524.db2.gz YGJNCXLBNGPSKX-UHFFFAOYSA-N -1 1 376.380 1.676 20 0 GDADMM COc1ccc([C@H]2CCCN2C(=O)Cn2ccnc2-c2nnn[n-]2)c(OC)c1 ZINC000826190220 608893033 /nfs/dbraw/zinc/89/30/33/608893033.db2.gz ULYANFFTTUSPRH-CQSZACIVSA-N -1 1 383.412 1.444 20 0 GDADMM COc1ccc([C@H]2CCCN2C(=O)Cn2ccnc2-c2nn[n-]n2)c(OC)c1 ZINC000826190220 608893035 /nfs/dbraw/zinc/89/30/35/608893035.db2.gz ULYANFFTTUSPRH-CQSZACIVSA-N -1 1 383.412 1.444 20 0 GDADMM CC(C)C[C@@H]1C[C@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC000824242690 609181053 /nfs/dbraw/zinc/18/10/53/609181053.db2.gz AIODJUGCIHXBES-VXGBXAGGSA-N -1 1 383.449 1.878 20 0 GDADMM CC(C)C[C@@H]1C[C@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC000824242690 609181054 /nfs/dbraw/zinc/18/10/54/609181054.db2.gz AIODJUGCIHXBES-VXGBXAGGSA-N -1 1 383.449 1.878 20 0 GDADMM Cc1cc(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)cc(=O)[nH]1 ZINC000826258266 609255288 /nfs/dbraw/zinc/25/52/88/609255288.db2.gz FWZFHAIEDGWOCN-UHFFFAOYSA-N -1 1 396.411 1.104 20 0 GDADMM COc1cc(O)cc(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)c1 ZINC000826181403 609262556 /nfs/dbraw/zinc/26/25/56/609262556.db2.gz YBPPEGVALINWOW-UHFFFAOYSA-N -1 1 384.396 1.870 20 0 GDADMM Cc1cc(NC(=O)CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)n(C)n1 ZINC000826270000 609279042 /nfs/dbraw/zinc/27/90/42/609279042.db2.gz GUQCVSOHUBMFNR-UHFFFAOYSA-N -1 1 396.390 1.284 20 0 GDADMM COCCOCCC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826161172 609288631 /nfs/dbraw/zinc/28/86/31/609288631.db2.gz WTWOUOSLYBPGRC-UHFFFAOYSA-N -1 1 375.364 1.183 20 0 GDADMM C[C@@H](C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC000824046199 609289941 /nfs/dbraw/zinc/28/99/41/609289941.db2.gz QUSPBFLCJDDKRL-SNVBAGLBSA-N -1 1 381.375 1.667 20 0 GDADMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2cccc(SC(F)(F)F)c2)c1=O ZINC000825799663 609303833 /nfs/dbraw/zinc/30/38/33/609303833.db2.gz PQMHXAQUYBRGAE-UHFFFAOYSA-N -1 1 398.370 1.870 20 0 GDADMM CC[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccncc1 ZINC000825133229 609304145 /nfs/dbraw/zinc/30/41/45/609304145.db2.gz LQFNSUSTABTAOU-GFCCVEGCSA-N -1 1 384.448 1.292 20 0 GDADMM CC[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccncc1 ZINC000825133229 609304147 /nfs/dbraw/zinc/30/41/47/609304147.db2.gz LQFNSUSTABTAOU-GFCCVEGCSA-N -1 1 384.448 1.292 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@@H]1C[C@@]1(C)c1ccccc1 ZINC000825930773 609304611 /nfs/dbraw/zinc/30/46/11/609304611.db2.gz YRXCHMLFWQIEHM-KUHUBIRLSA-N -1 1 395.471 1.476 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@@H]1C[C@@]1(C)c1ccccc1 ZINC000825930773 609304612 /nfs/dbraw/zinc/30/46/12/609304612.db2.gz YRXCHMLFWQIEHM-KUHUBIRLSA-N -1 1 395.471 1.476 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NC[C@@]1(C)CCCS1 ZINC000825930352 609308046 /nfs/dbraw/zinc/30/80/46/609308046.db2.gz UFKOGXAKIRYWTC-OAHLLOKOSA-N -1 1 379.494 1.032 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NC[C@@]1(C)CCCS1 ZINC000825930352 609308048 /nfs/dbraw/zinc/30/80/48/609308048.db2.gz UFKOGXAKIRYWTC-OAHLLOKOSA-N -1 1 379.494 1.032 20 0 GDADMM NC(=O)c1ccc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cc1 ZINC000826393512 609313387 /nfs/dbraw/zinc/31/33/87/609313387.db2.gz VPMVHGLWIFAZRB-UHFFFAOYSA-N -1 1 392.354 1.543 20 0 GDADMM CCC(CC)[C@@H]1C[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC000825106389 609332911 /nfs/dbraw/zinc/33/29/11/609332911.db2.gz BKJHDRYHWPHULZ-DOMZBBRYSA-N -1 1 380.474 1.524 20 0 GDADMM CCC(CC)[C@@H]1C[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC000825106389 609332913 /nfs/dbraw/zinc/33/29/13/609332913.db2.gz BKJHDRYHWPHULZ-DOMZBBRYSA-N -1 1 380.474 1.524 20 0 GDADMM CN(C[C@H]1CCCC[C@@H]1O)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825908697 609333900 /nfs/dbraw/zinc/33/39/00/609333900.db2.gz LAWSWJGSUZYPAF-MFKMUULPSA-N -1 1 385.877 1.692 20 0 GDADMM C[C@]1(CNC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CCCO1 ZINC000824823710 609355114 /nfs/dbraw/zinc/35/51/14/609355114.db2.gz OCHIXDSHVDOUNZ-QGZVFWFLSA-N -1 1 386.391 1.882 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)NC1(CO)CCCC1 ZINC000826458148 609359556 /nfs/dbraw/zinc/35/95/56/609359556.db2.gz FGZXWKYATKZBHN-UHFFFAOYSA-N -1 1 386.391 1.618 20 0 GDADMM CCC[C@](C)(O)CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825233497 609361584 /nfs/dbraw/zinc/36/15/84/609361584.db2.gz QDYRIBYJITURKQ-KRWDZBQOSA-N -1 1 388.407 1.864 20 0 GDADMM Cn1cccc1CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826363856 609364537 /nfs/dbraw/zinc/36/45/37/609364537.db2.gz DJMZUMBZSGFBGX-UHFFFAOYSA-N -1 1 381.375 1.852 20 0 GDADMM O=S(=O)(Oc1cncc(Br)c1)c1ccccc1-c1nn[n-]n1 ZINC000826493937 609398726 /nfs/dbraw/zinc/39/87/26/609398726.db2.gz JOVNQWZUGSJPTC-UHFFFAOYSA-N -1 1 382.199 1.792 20 0 GDADMM Cc1onc(CC(=O)NCCCCC(=O)OCc2ccccc2)c1-c1nnn[n-]1 ZINC000826347626 609433905 /nfs/dbraw/zinc/43/39/05/609433905.db2.gz YBJOSPBSWAQDHQ-UHFFFAOYSA-N -1 1 398.423 1.736 20 0 GDADMM Cc1onc(CC(=O)NCCCCC(=O)OCc2ccccc2)c1-c1nn[n-]n1 ZINC000826347626 609433908 /nfs/dbraw/zinc/43/39/08/609433908.db2.gz YBJOSPBSWAQDHQ-UHFFFAOYSA-N -1 1 398.423 1.736 20 0 GDADMM Cc1onc(CC(=O)N2CCc3c(ncn3-c3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826345868 609472199 /nfs/dbraw/zinc/47/21/99/609472199.db2.gz WLGNNPNVVABPSV-UHFFFAOYSA-N -1 1 390.407 1.476 20 0 GDADMM Cc1onc(CC(=O)N2CCc3c(ncn3-c3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826345868 609472201 /nfs/dbraw/zinc/47/22/01/609472201.db2.gz WLGNNPNVVABPSV-UHFFFAOYSA-N -1 1 390.407 1.476 20 0 GDADMM Cc1cc(Oc2ncccc2-c2nn[n-]n2)ccc1NC(=O)[C@@H]1CCC(=O)N1C ZINC000826272228 609488418 /nfs/dbraw/zinc/48/84/18/609488418.db2.gz ZMINTFUXPUMLST-HNNXBMFYSA-N -1 1 393.407 1.922 20 0 GDADMM Cc1nn(-c2ccccc2)c(Cn2c(C)nn(C(C)(C)C)c2=O)c1-c1nn[n-]n1 ZINC000826332838 609490937 /nfs/dbraw/zinc/49/09/37/609490937.db2.gz JYFGJCSCHGRIME-UHFFFAOYSA-N -1 1 393.455 1.831 20 0 GDADMM Cc1cc(C)cc(OCC(=O)N2CCN(Cc3ccc(-c4nnn[n-]4)o3)CC2)c1 ZINC000826264252 609493204 /nfs/dbraw/zinc/49/32/04/609493204.db2.gz HQJRLCYWYIGTIV-UHFFFAOYSA-N -1 1 396.451 1.800 20 0 GDADMM Cc1cc(C)cc(OCC(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)o3)CC2)c1 ZINC000826264252 609493207 /nfs/dbraw/zinc/49/32/07/609493207.db2.gz HQJRLCYWYIGTIV-UHFFFAOYSA-N -1 1 396.451 1.800 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCCN(C)c1ccccc1 ZINC000826233081 609495418 /nfs/dbraw/zinc/49/54/18/609495418.db2.gz TUDZQPSORYMKFK-UHFFFAOYSA-N -1 1 395.467 1.769 20 0 GDADMM C[C@@H](O)[C@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C1 ZINC000824689489 609582558 /nfs/dbraw/zinc/58/25/58/609582558.db2.gz LNBINZKZAVNGHC-BDAKNGLRSA-N -1 1 391.375 1.277 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@H]21 ZINC000824109127 609602122 /nfs/dbraw/zinc/60/21/22/609602122.db2.gz NPUQXDNDTVJDGI-RWMBFGLXSA-N -1 1 386.460 1.786 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@H]21 ZINC000824109127 609602125 /nfs/dbraw/zinc/60/21/25/609602125.db2.gz NPUQXDNDTVJDGI-RWMBFGLXSA-N -1 1 386.460 1.786 20 0 GDADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@H](O)C(C)C)c(OC)c1 ZINC000534137863 650218900 /nfs/dbraw/zinc/21/89/00/650218900.db2.gz KSKRVOTYDJJVIM-ZDUSSCGKSA-N -1 1 394.515 1.142 20 0 GDADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)C1CCOCC1 ZINC000534637214 650227445 /nfs/dbraw/zinc/22/74/45/650227445.db2.gz CKHBZUNQKYOJPL-AWEZNQCLSA-N -1 1 381.372 1.741 20 0 GDADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2CCO[C@@H]2C2CC2)c(F)c1 ZINC000534820446 650231812 /nfs/dbraw/zinc/23/18/12/650231812.db2.gz KYUGSLLVVBNCGR-GXTWGEPZSA-N -1 1 378.447 1.043 20 0 GDADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)c(OC)c1 ZINC000534881554 650233802 /nfs/dbraw/zinc/23/38/02/650233802.db2.gz OZOCFPNMJLDBKT-ZDUSSCGKSA-N -1 1 392.499 1.304 20 0 GDADMM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](CO)CC(F)(F)F ZINC000535249617 650244874 /nfs/dbraw/zinc/24/48/74/650244874.db2.gz ZKGVFPGLMQWWQR-MRVPVSSYSA-N -1 1 375.752 1.718 20 0 GDADMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)c(F)c2)c(C)c1C ZINC000536661322 650276865 /nfs/dbraw/zinc/27/68/65/650276865.db2.gz WZOCJEIWVDCZET-UHFFFAOYSA-N -1 1 388.442 1.899 20 0 GDADMM Cc1nn(CC(F)(F)F)cc1C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000537502812 650293692 /nfs/dbraw/zinc/29/36/92/650293692.db2.gz RDIVFUFYFJTWPV-UHFFFAOYSA-N -1 1 378.332 1.359 20 0 GDADMM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)C1 ZINC000540214114 650352314 /nfs/dbraw/zinc/35/23/14/650352314.db2.gz XEWRISZTUGBRDI-GHMZBOCLSA-N -1 1 379.479 1.832 20 0 GDADMM COC(=O)[C@@H]([N-]S(=O)(=O)[C@H]1CCCOC1)c1ccc(OC(F)F)cc1 ZINC000541818058 650392372 /nfs/dbraw/zinc/39/23/72/650392372.db2.gz WXDVORGTBFHIQW-STQMWFEESA-N -1 1 379.381 1.601 20 0 GDADMM CCn1c(=O)c2cc(Br)ccc2nc1SCc1nc(=O)n(C)[n-]1 ZINC000543710407 650428900 /nfs/dbraw/zinc/42/89/00/650428900.db2.gz SADMFZAWDRRAPN-UHFFFAOYSA-N -1 1 396.270 1.893 20 0 GDADMM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2C(=O)OC)n[nH]1 ZINC000545180843 650450452 /nfs/dbraw/zinc/45/04/52/650450452.db2.gz NSPPCRGOBAXOKV-UHFFFAOYSA-N -1 1 387.801 1.827 20 0 GDADMM CCOC(=O)[C@@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000546061459 650469341 /nfs/dbraw/zinc/46/93/41/650469341.db2.gz OTTSYZZMJGUOBE-BXUZGUMPSA-N -1 1 390.889 1.210 20 0 GDADMM CCOc1ccc(Br)cc1NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000546083117 650470283 /nfs/dbraw/zinc/47/02/83/650470283.db2.gz LRJRJAYCXCJTKK-UHFFFAOYSA-N -1 1 378.186 1.831 20 0 GDADMM CSC[C@H](CCO)NC(=O)c1ccc(I)c([O-])c1 ZINC000546163947 650473238 /nfs/dbraw/zinc/47/32/38/650473238.db2.gz WQGSGDCPOWXWBK-VIFPVBQESA-N -1 1 381.235 1.841 20 0 GDADMM CCc1ncc(S(=O)(=O)[N-]c2cn(C)cc(Br)c2=O)s1 ZINC000546595861 650480027 /nfs/dbraw/zinc/48/00/27/650480027.db2.gz ZRTTZSUOHMEWIS-UHFFFAOYSA-N -1 1 378.273 1.968 20 0 GDADMM NC(=O)[C@H]1CCC[C@@H](NC(=O)c2ccc(I)c([O-])c2)C1 ZINC000546870795 650488460 /nfs/dbraw/zinc/48/84/60/650488460.db2.gz LSYHRFAJHZMSRH-WCBMZHEXSA-N -1 1 388.205 1.771 20 0 GDADMM O=C([O-])c1csc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000547558355 650502631 /nfs/dbraw/zinc/50/26/31/650502631.db2.gz XZJOESHAEFLJLD-UHFFFAOYSA-N -1 1 377.787 1.881 20 0 GDADMM CSc1nc(=O)[n-]c(C)c1C(=O)N1CCS(=O)(=O)c2ccccc2C1 ZINC000548184120 650533419 /nfs/dbraw/zinc/53/34/19/650533419.db2.gz VPKYWRNIUVRVRC-UHFFFAOYSA-N -1 1 379.463 1.642 20 0 GDADMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)c1cc2ccccn2c1 ZINC000548463077 650546739 /nfs/dbraw/zinc/54/67/39/650546739.db2.gz BONSELQCMHSMAH-UHFFFAOYSA-N -1 1 380.451 1.118 20 0 GDADMM Cn1cc(S(=O)(=O)[N-][C@@H](CC(N)=O)c2ccccc2)c(C(F)(F)F)n1 ZINC000549926066 650585768 /nfs/dbraw/zinc/58/57/68/650585768.db2.gz LVTGKUZRIJJLMN-JTQLQIEISA-N -1 1 376.360 1.334 20 0 GDADMM CS(=O)(=O)NC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000551201039 650600835 /nfs/dbraw/zinc/60/08/35/650600835.db2.gz CVYBNQNEWAHUSN-JOYOIKCWSA-N -1 1 384.882 1.475 20 0 GDADMM CC[C@@H](CSC)NC(=O)C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000553258322 650640668 /nfs/dbraw/zinc/64/06/68/650640668.db2.gz LKPCZXOQEIEUNH-JTQLQIEISA-N -1 1 389.499 1.263 20 0 GDADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@H](CO)c1ccccc1Cl ZINC000553569511 650651352 /nfs/dbraw/zinc/65/13/52/650651352.db2.gz FKIVWWKEOAGARH-SNVBAGLBSA-N -1 1 387.845 1.294 20 0 GDADMM C[C@H](CN(C)C(=O)c1cnc2ccc(Br)cc2c1O)c1nn[n-]n1 ZINC000555967955 650697922 /nfs/dbraw/zinc/69/79/22/650697922.db2.gz ABFUKWLSSNSYQG-MRVPVSSYSA-N -1 1 391.229 1.679 20 0 GDADMM C[C@@H]1CCC[C@@H](NS(=O)(=O)CCCCS(=O)(=O)[N-]c2c[nH]cn2)[C@H]1C ZINC000565784402 650813639 /nfs/dbraw/zinc/81/36/39/650813639.db2.gz IQJRPHCBLUZUGD-HZSPNIEDSA-N -1 1 392.547 1.676 20 0 GDADMM C[C@H](NC(=O)c1cc(=O)n2[n-]cnc2n1)c1ccc(Br)cc1F ZINC000566848843 650869486 /nfs/dbraw/zinc/86/94/86/650869486.db2.gz SKFAHNCWNDDPJD-ZETCQYMHSA-N -1 1 380.177 1.810 20 0 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/nfs/dbraw/zinc/30/42/81/644304281.db2.gz PCQFFMINNYSJDU-UHFFFAOYSA-N -1 1 377.253 1.435 20 0 GDADMM COc1cccc(NC(=O)COC(=O)c2sccc2[N-]S(C)(=O)=O)c1 ZINC000042776316 644336443 /nfs/dbraw/zinc/33/64/43/644336443.db2.gz ZHGNAXTZDPXTSL-UHFFFAOYSA-N -1 1 384.435 1.924 20 0 GDADMM C=CCn1c(Cc2csc(NC(=O)CNC(=O)OCC)n2)n[n-]c1=S ZINC000046412883 644363649 /nfs/dbraw/zinc/36/36/49/644363649.db2.gz NZHGQMOUTGKAKH-UHFFFAOYSA-N -1 1 382.471 1.859 20 0 GDADMM CCC(Nc1cc(Cl)ccc1-n1cncn1)=C1C(=O)[N-]C(=S)NC1=O ZINC000054504300 644459652 /nfs/dbraw/zinc/45/96/52/644459652.db2.gz MOGIHVPNSAYLLT-UHFFFAOYSA-N -1 1 376.829 1.528 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)[N-]Cc2ccccn2)c(Br)o1 ZINC000153605320 644796535 /nfs/dbraw/zinc/79/65/35/644796535.db2.gz IKBQPYUDPVDLOW-UHFFFAOYSA-N -1 1 375.200 1.702 20 0 GDADMM O=C(CCc1nc2cc(Br)ccc2s1)NN1CC(=O)[N-]C1=O ZINC000175015946 644902195 /nfs/dbraw/zinc/90/21/95/644902195.db2.gz IZWSBHRLFVRGKG-UHFFFAOYSA-N -1 1 383.227 1.574 20 0 GDADMM 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/nfs/dbraw/zinc/80/94/13/939809413.db2.gz SUVPJCUVYNWFTO-INMHGKMJSA-N -1 1 391.493 1.626 20 0 GDADMM O=C(NCc1nc(-c2nnn[n-]2)cs1)NC[C@@H]1CC(=O)c2ccccc2O1 ZINC001571258067 945348903 /nfs/dbraw/zinc/34/89/03/945348903.db2.gz MDCYUCOCTGOESC-VIFPVBQESA-N -1 1 385.409 1.156 20 0 GDADMM O=C(NCc1nc(-c2nn[n-]n2)cs1)NC[C@@H]1CC(=O)c2ccccc2O1 ZINC001571258067 945348914 /nfs/dbraw/zinc/34/89/14/945348914.db2.gz MDCYUCOCTGOESC-VIFPVBQESA-N -1 1 385.409 1.156 20 0 GDADMM C[C@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC000323612360 971022452 /nfs/dbraw/zinc/02/24/52/971022452.db2.gz LFOCVTYPRGYXHF-AWEZNQCLSA-N -1 1 377.466 1.856 20 0 GDADMM O=C([O-])[C@H](Cc1ccccc1)NCC(=O)N1CCN(Cc2ccsc2)CC1 ZINC001601659708 971038208 /nfs/dbraw/zinc/03/82/08/971038208.db2.gz KBQADOQWFIKHES-SFHVURJKSA-N -1 1 387.505 1.678 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1-c1nn[n-]n1 ZINC000737186114 944978066 /nfs/dbraw/zinc/97/80/66/944978066.db2.gz HFJSQJOMVHTZRD-ONOSFVFSSA-N -1 1 376.442 1.233 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)c3ccns3)[C@H](C)C2)n1 ZINC001571261144 945422173 /nfs/dbraw/zinc/42/21/73/945422173.db2.gz BBBIWOVETPADCK-MNOVXSKESA-N -1 1 385.457 1.527 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)c3ccns3)[C@H](C)C2)n1 ZINC001571261144 945422178 /nfs/dbraw/zinc/42/21/78/945422178.db2.gz BBBIWOVETPADCK-MNOVXSKESA-N -1 1 385.457 1.527 20 0 GDADMM CC[C@@H]1CN(C(=O)c2nccs2)CC[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571261155 945422970 /nfs/dbraw/zinc/42/29/70/945422970.db2.gz BFHWWQRZVAHGRV-GHMZBOCLSA-N -1 1 385.457 1.466 20 0 GDADMM CC[C@@H]1CN(C(=O)c2nccs2)CC[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571261155 945422974 /nfs/dbraw/zinc/42/29/74/945422974.db2.gz BFHWWQRZVAHGRV-GHMZBOCLSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H]1CN(C(=O)c2ccns2)CC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571261704 945431433 /nfs/dbraw/zinc/43/14/33/945431433.db2.gz IVQDGQNIFLBOIQ-WDEREUQCSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H]1CN(C(=O)c2ccns2)CC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571261704 945431439 /nfs/dbraw/zinc/43/14/39/945431439.db2.gz IVQDGQNIFLBOIQ-WDEREUQCSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@@H](NC(=O)c1cncs1)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571262015 945433602 /nfs/dbraw/zinc/43/36/02/945433602.db2.gz MDXNPYMAJZEHIS-MNOVXSKESA-N -1 1 385.457 1.148 20 0 GDADMM C[C@@H](NC(=O)c1cncs1)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571262015 945433604 /nfs/dbraw/zinc/43/36/04/945433604.db2.gz MDXNPYMAJZEHIS-MNOVXSKESA-N -1 1 385.457 1.148 20 0 GDADMM Cc1nsc(N2C[C@@H]3CCN(C(=O)Cc4ccoc4)[C@@H]3C2)c1-c1nn[n-]n1 ZINC001571262114 945435896 /nfs/dbraw/zinc/43/58/96/945435896.db2.gz NHZNWWPHUOGJIG-QWHCGFSZSA-N -1 1 385.453 1.504 20 0 GDADMM CCc1ncc(C(=O)N2CCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)s1 ZINC001571262363 945437253 /nfs/dbraw/zinc/43/72/53/945437253.db2.gz QBCKAKQGQRYRLB-SNVBAGLBSA-N -1 1 385.457 1.392 20 0 GDADMM CCc1ncc(C(=O)N2CCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)s1 ZINC001571262363 945437256 /nfs/dbraw/zinc/43/72/56/945437256.db2.gz QBCKAKQGQRYRLB-SNVBAGLBSA-N -1 1 385.457 1.392 20 0 GDADMM Cc1nsc(NC[C@@H]2C[C@@H](NC(=O)c3nccc(C)n3)C2)c1-c1nn[n-]n1 ZINC001571262882 945445354 /nfs/dbraw/zinc/44/53/54/945445354.db2.gz BBIPAGFVLRPAKE-XYPYZODXSA-N -1 1 385.457 1.351 20 0 GDADMM O=C(Cc1cncs1)N1CCC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571263068 945449389 /nfs/dbraw/zinc/44/93/89/945449389.db2.gz GVDKVGAAWILAJT-NSHDSACASA-N -1 1 385.457 1.006 20 0 GDADMM O=C(Cc1cncs1)N1CCC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571263068 945449395 /nfs/dbraw/zinc/44/93/95/945449395.db2.gz GVDKVGAAWILAJT-NSHDSACASA-N -1 1 385.457 1.006 20 0 GDADMM Cc1nscc1C(=O)N[C@@H]1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571263700 945465873 /nfs/dbraw/zinc/46/58/73/945465873.db2.gz WZAFHJGKFHQQSU-CMPLNLGQSA-N -1 1 385.457 1.432 20 0 GDADMM Cc1nscc1C(=O)N[C@@H]1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571263700 945465881 /nfs/dbraw/zinc/46/58/81/945465881.db2.gz WZAFHJGKFHQQSU-CMPLNLGQSA-N -1 1 385.457 1.432 20 0 GDADMM O=C(CCc1cscn1)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571263876 945469996 /nfs/dbraw/zinc/46/99/96/945469996.db2.gz YUOHMFAXGIIUBS-NSHDSACASA-N -1 1 385.457 1.006 20 0 GDADMM O=C(CCc1cscn1)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571263876 945470000 /nfs/dbraw/zinc/47/00/00/945470000.db2.gz YUOHMFAXGIIUBS-NSHDSACASA-N -1 1 385.457 1.006 20 0 GDADMM Cc1cc(C(=O)N2CCC(C)(Nc3cnc(-c4nnn[n-]4)cn3)CC2)ns1 ZINC001571263869 945470083 /nfs/dbraw/zinc/47/00/83/945470083.db2.gz YRULAAPGIHIBTJ-UHFFFAOYSA-N -1 1 385.457 1.528 20 0 GDADMM Cc1cc(C(=O)N2CCC(C)(Nc3cnc(-c4nn[n-]n4)cn3)CC2)ns1 ZINC001571263869 945470089 /nfs/dbraw/zinc/47/00/89/945470089.db2.gz YRULAAPGIHIBTJ-UHFFFAOYSA-N -1 1 385.457 1.528 20 0 GDADMM COCC(=O)N1CCCC[C@@H]1CCNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001571265602 945516530 /nfs/dbraw/zinc/51/65/30/945516530.db2.gz MITFMLLPBNZLBR-SECBINFHSA-N -1 1 385.881 1.806 20 0 GDADMM COCC(=O)N1CCCC[C@@H]1CCNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001571265602 945516542 /nfs/dbraw/zinc/51/65/42/945516542.db2.gz MITFMLLPBNZLBR-SECBINFHSA-N -1 1 385.881 1.806 20 0 GDADMM C[C@@H]1Oc2ccccc2N(CCC(=O)Nc2ncc(-c3nnn[n-]3)s2)C1=O ZINC000820819991 945561333 /nfs/dbraw/zinc/56/13/33/945561333.db2.gz LXJPCDFMHKXYAV-VIFPVBQESA-N -1 1 385.409 1.466 20 0 GDADMM C[C@@H]1Oc2ccccc2N(CCC(=O)Nc2ncc(-c3nn[n-]n3)s2)C1=O ZINC000820819991 945561340 /nfs/dbraw/zinc/56/13/40/945561340.db2.gz LXJPCDFMHKXYAV-VIFPVBQESA-N -1 1 385.409 1.466 20 0 GDADMM O=C(c1ccc(F)c(F)c1)N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571267298 945567818 /nfs/dbraw/zinc/56/78/18/945567818.db2.gz PSWJAQREYIYDEF-UHFFFAOYSA-N -1 1 386.366 1.652 20 0 GDADMM O=C(c1ccc(F)c(F)c1)N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571267298 945567822 /nfs/dbraw/zinc/56/78/22/945567822.db2.gz PSWJAQREYIYDEF-UHFFFAOYSA-N -1 1 386.366 1.652 20 0 GDADMM CCC1(CNC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)CCOCC1 ZINC000820962754 945598648 /nfs/dbraw/zinc/59/86/48/945598648.db2.gz YTOSUAUGHKQGLO-UHFFFAOYSA-N -1 1 388.472 1.840 20 0 GDADMM O=C(N1CC[C@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1)C1(CF)CCC1 ZINC001571269301 945617120 /nfs/dbraw/zinc/61/71/20/945617120.db2.gz UZVGFRYOZNSQLJ-KRWDZBQOSA-N -1 1 386.435 1.225 20 0 GDADMM O=C(N1CC[C@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1)C1(CF)CCC1 ZINC001571269301 945617123 /nfs/dbraw/zinc/61/71/23/945617123.db2.gz UZVGFRYOZNSQLJ-KRWDZBQOSA-N -1 1 386.435 1.225 20 0 GDADMM CCOc1ccccc1C(=O)NCC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001571269391 945618990 /nfs/dbraw/zinc/61/89/90/945618990.db2.gz XHDAWLOIGCJYHI-UHFFFAOYSA-N -1 1 386.437 1.373 20 0 GDADMM Cc1nsc(N[C@@H]2C[C@@H](NC(=O)c3c[nH]c(C)cc3=O)C2)c1-c1nn[n-]n1 ZINC001571269893 945627128 /nfs/dbraw/zinc/62/71/28/945627128.db2.gz HBBPXMJUJQYHFD-MGCOHNPYSA-N -1 1 386.441 1.001 20 0 GDADMM CCCCN1C(=O)c2ccc(C(=O)Nc3ncc(-c4nnn[n-]4)s3)cc2C1=O ZINC000821064895 945627796 /nfs/dbraw/zinc/62/77/96/945627796.db2.gz BOIACPCVVYFSPJ-UHFFFAOYSA-N -1 1 397.420 1.972 20 0 GDADMM CCCCN1C(=O)c2ccc(C(=O)Nc3ncc(-c4nn[n-]n4)s3)cc2C1=O ZINC000821064895 945627800 /nfs/dbraw/zinc/62/78/00/945627800.db2.gz BOIACPCVVYFSPJ-UHFFFAOYSA-N -1 1 397.420 1.972 20 0 GDADMM O=C(NC1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1)[C@H]1CCCOCC1 ZINC001571272170 945655651 /nfs/dbraw/zinc/65/56/51/945655651.db2.gz ABSFFLQNDJZYNL-HSBZDZAISA-N -1 1 386.460 1.313 20 0 GDADMM O=C(NC1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1)[C@H]1CCCOCC1 ZINC001571272170 945655660 /nfs/dbraw/zinc/65/56/60/945655660.db2.gz ABSFFLQNDJZYNL-HSBZDZAISA-N -1 1 386.460 1.313 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCCN(C(=O)C[C@H]3CCCCO3)C2)n1 ZINC001571272229 945657658 /nfs/dbraw/zinc/65/76/58/945657658.db2.gz BMNXZDICPHMRAT-UONOGXRCSA-N -1 1 386.460 1.327 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCCN(C(=O)C[C@H]3CCCCO3)C2)n1 ZINC001571272229 945657665 /nfs/dbraw/zinc/65/76/65/945657665.db2.gz BMNXZDICPHMRAT-UONOGXRCSA-N -1 1 386.460 1.327 20 0 GDADMM Cc1nsc(NC2CCN(C(=O)CCn3cccc3)CC2)c1-c1nn[n-]n1 ZINC001571272320 945660422 /nfs/dbraw/zinc/66/04/22/945660422.db2.gz RVOJVYNQEJCYHH-UHFFFAOYSA-N -1 1 386.485 1.926 20 0 GDADMM O=C(CC[C@@H]1CCCCO1)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571273283 945683528 /nfs/dbraw/zinc/68/35/28/945683528.db2.gz URCDZFHCEYLCJP-KBPBESRZSA-N -1 1 386.460 1.409 20 0 GDADMM O=C(CC[C@@H]1CCCCO1)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571273283 945683535 /nfs/dbraw/zinc/68/35/35/945683535.db2.gz URCDZFHCEYLCJP-KBPBESRZSA-N -1 1 386.460 1.409 20 0 GDADMM CC1CCC(OCC(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001571275766 945713803 /nfs/dbraw/zinc/71/38/03/945713803.db2.gz CAKLGPAGAILDSS-ROKHWSDSSA-N -1 1 386.460 1.265 20 0 GDADMM CC1CCC(OCC(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001571275766 945713811 /nfs/dbraw/zinc/71/38/11/945713811.db2.gz CAKLGPAGAILDSS-ROKHWSDSSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H]1CN(C(=O)COC2CCCCC2)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571275938 945720125 /nfs/dbraw/zinc/72/01/25/945720125.db2.gz GCITVXQOYXTFDG-DOMZBBRYSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H]1CN(C(=O)COC2CCCCC2)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571275938 945720131 /nfs/dbraw/zinc/72/01/31/945720131.db2.gz GCITVXQOYXTFDG-DOMZBBRYSA-N -1 1 386.460 1.265 20 0 GDADMM COc1ccc([O-])c(S(=O)(=O)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC001571276017 945722421 /nfs/dbraw/zinc/72/24/21/945722421.db2.gz CJELUDGDXQKVCG-UHFFFAOYSA-N -1 1 387.421 1.549 20 0 GDADMM C[C@H]1CCCN(C(=O)CC2(O)CCC2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571277550 945742489 /nfs/dbraw/zinc/74/24/89/945742489.db2.gz LPWJADNRBCPTCJ-GXTWGEPZSA-N -1 1 386.460 1.001 20 0 GDADMM C[C@H]1CCCN(C(=O)CC2(O)CCC2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571277550 945742500 /nfs/dbraw/zinc/74/25/00/945742500.db2.gz LPWJADNRBCPTCJ-GXTWGEPZSA-N -1 1 386.460 1.001 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H](CC(=O)NCc1ccnc(-c2nnn[n-]2)c1)C1CC1 ZINC001571278716 945757243 /nfs/dbraw/zinc/75/72/43/945757243.db2.gz APCDJZFAQZQGQV-ZDUSSCGKSA-N -1 1 387.444 1.571 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H](CC(=O)NCc1ccnc(-c2nn[n-]n2)c1)C1CC1 ZINC001571278716 945757249 /nfs/dbraw/zinc/75/72/49/945757249.db2.gz APCDJZFAQZQGQV-ZDUSSCGKSA-N -1 1 387.444 1.571 20 0 GDADMM CCCn1nccc1C(=O)N[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571281605 945806661 /nfs/dbraw/zinc/80/66/61/945806661.db2.gz JTJAOPMCVCIOGR-NSHDSACASA-N -1 1 387.473 1.247 20 0 GDADMM CCn1cc(C(=O)N2CC[C@@H](Nc3snc(C)c3-c3nn[n-]n3)[C@H]2C)cn1 ZINC001571282488 945844467 /nfs/dbraw/zinc/84/44/67/945844467.db2.gz ZXDZOBHPCKUXTA-ZYHUDNBSSA-N -1 1 387.473 1.563 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)c2cc(Cl)c[nH]2)C1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571284084 945894042 /nfs/dbraw/zinc/89/40/42/945894042.db2.gz LMXIXYHKPYSDIL-JTQLQIEISA-N -1 1 387.835 1.237 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)c2cc(Cl)c[nH]2)C1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571284084 945894056 /nfs/dbraw/zinc/89/40/56/945894056.db2.gz LMXIXYHKPYSDIL-JTQLQIEISA-N -1 1 387.835 1.237 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCCOCc2ccccc2)cc1-c1nn[n-]n1 ZINC000821979288 945912744 /nfs/dbraw/zinc/91/27/44/945912744.db2.gz QQMQSJIHGKIWLS-UHFFFAOYSA-N -1 1 386.437 1.636 20 0 GDADMM O=C(NC[C@@H](n1cncn1)C(F)(F)F)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001571285619 945923363 /nfs/dbraw/zinc/92/33/63/945923363.db2.gz KACBMJJBYYAFRA-SECBINFHSA-N -1 1 388.260 1.270 20 0 GDADMM O=C(NC[C@@H](n1cncn1)C(F)(F)F)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001571285619 945923369 /nfs/dbraw/zinc/92/33/69/945923369.db2.gz KACBMJJBYYAFRA-SECBINFHSA-N -1 1 388.260 1.270 20 0 GDADMM O=C(NC[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccc(Cl)[nH]1 ZINC001571285790 945927650 /nfs/dbraw/zinc/92/76/50/945927650.db2.gz OESWHGFPNNNMOD-SNVBAGLBSA-N -1 1 387.835 1.285 20 0 GDADMM O=C(NC[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccc(Cl)[nH]1 ZINC001571285790 945927665 /nfs/dbraw/zinc/92/76/65/945927665.db2.gz OESWHGFPNNNMOD-SNVBAGLBSA-N -1 1 387.835 1.285 20 0 GDADMM C[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)s1)c1nc(C(F)(F)F)no1 ZINC001571285993 945932739 /nfs/dbraw/zinc/93/27/39/945932739.db2.gz UGNZJIIHENJVMP-YFKPBYRVSA-N -1 1 388.335 1.890 20 0 GDADMM Cc1nsc(N2CC[C@](C)(NC(=O)c3ncccc3F)C2)c1-c1nn[n-]n1 ZINC001571286215 945940813 /nfs/dbraw/zinc/94/08/13/945940813.db2.gz BCUMWRPUUFFXFI-INIZCTEOSA-N -1 1 388.432 1.565 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)c1ccc(F)s1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571286238 945942517 /nfs/dbraw/zinc/94/25/17/945942517.db2.gz BUSJBUPEGCDNQA-SNVBAGLBSA-N -1 1 388.432 1.598 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)c1ccc(F)s1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571286238 945942524 /nfs/dbraw/zinc/94/25/24/945942524.db2.gz BUSJBUPEGCDNQA-SNVBAGLBSA-N -1 1 388.432 1.598 20 0 GDADMM CC(C)(C)OC(=O)N1[C@@H](C(=O)Nc2n[nH]cc2-c2nnn[n-]2)CC[C@@H]1C1CC1 ZINC001571286539 945950416 /nfs/dbraw/zinc/95/04/16/945950416.db2.gz KGCCYGXWQYTLFE-VXGBXAGGSA-N -1 1 388.432 1.706 20 0 GDADMM CC(C)(C)OC(=O)N1[C@@H](C(=O)Nc2n[nH]cc2-c2nn[n-]n2)CC[C@@H]1C1CC1 ZINC001571286539 945950420 /nfs/dbraw/zinc/95/04/20/945950420.db2.gz KGCCYGXWQYTLFE-VXGBXAGGSA-N -1 1 388.432 1.706 20 0 GDADMM O=C(N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1)c1ccc(F)s1 ZINC001571288133 945983729 /nfs/dbraw/zinc/98/37/29/945983729.db2.gz MOGJHKDYPDZJDL-SNVBAGLBSA-N -1 1 388.432 1.646 20 0 GDADMM O=C(N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1)c1ccc(F)s1 ZINC001571288133 945983740 /nfs/dbraw/zinc/98/37/40/945983740.db2.gz MOGJHKDYPDZJDL-SNVBAGLBSA-N -1 1 388.432 1.646 20 0 GDADMM Cc1ccc(N2CCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)[C@H](C)C2)cc1C ZINC000822242318 946030984 /nfs/dbraw/zinc/03/09/84/946030984.db2.gz HZDKGOGXFQJKRK-CQSZACIVSA-N -1 1 395.471 1.960 20 0 GDADMM Cc1ccc(N2CCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)[C@H](C)C2)cc1C ZINC000822242318 946031001 /nfs/dbraw/zinc/03/10/01/946031001.db2.gz HZDKGOGXFQJKRK-CQSZACIVSA-N -1 1 395.471 1.960 20 0 GDADMM Cc1nocc1C(=O)N[C@@H]1CN(c2snc(C)c2-c2nn[n-]n2)CC1(C)C ZINC001571290273 946034241 /nfs/dbraw/zinc/03/42/41/946034241.db2.gz ZAPBZRHIPGRMFZ-LLVKDONJSA-N -1 1 388.457 1.573 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(Cl)o2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571290621 946049634 /nfs/dbraw/zinc/04/96/34/946049634.db2.gz KKSJJSXWWDDODN-NXEZZACHSA-N -1 1 388.819 1.723 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(Cl)o2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571290621 946049645 /nfs/dbraw/zinc/04/96/45/946049645.db2.gz KKSJJSXWWDDODN-NXEZZACHSA-N -1 1 388.819 1.723 20 0 GDADMM CCN(C(=O)c1occc1Cl)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571290756 946052730 /nfs/dbraw/zinc/05/27/30/946052730.db2.gz NZGPSCAQXSYWOG-SNVBAGLBSA-N -1 1 388.819 1.644 20 0 GDADMM CCN(C(=O)c1occc1Cl)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571290756 946052743 /nfs/dbraw/zinc/05/27/43/946052743.db2.gz NZGPSCAQXSYWOG-SNVBAGLBSA-N -1 1 388.819 1.644 20 0 GDADMM Cc1cccc2c1C[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)CO2 ZINC001571292004 946086067 /nfs/dbraw/zinc/08/60/67/946086067.db2.gz SMZZEONHRRLWKS-LBPRGKRZSA-N -1 1 389.412 1.596 20 0 GDADMM COc1ccc(C(=O)NC[C@H]2C[C@@H](Nc3snc(C)c3-c3nn[n-]n3)C2)o1 ZINC001571293189 946097532 /nfs/dbraw/zinc/09/75/32/946097532.db2.gz AVLCGJOQRPZWLR-AOOOYVTPSA-N -1 1 389.441 1.854 20 0 GDADMM Cc1oc(NC(=O)[C@@H](C)N(C)Cc2nnc3n2CCC3)c(-c2nn[n-]n2)c1C ZINC000822541935 946117288 /nfs/dbraw/zinc/11/72/88/946117288.db2.gz RLKSUWXILKPOQP-SNVBAGLBSA-N -1 1 385.432 1.073 20 0 GDADMM Cn1cc(Br)c(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)n1 ZINC001571294594 946139122 /nfs/dbraw/zinc/13/91/22/946139122.db2.gz JJJJVUZBDKDCQQ-UHFFFAOYSA-N -1 1 389.626 1.725 20 0 GDADMM O=C(N[C@@H]1CCCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1)[C@H]1CC1(F)F ZINC001571295084 946151961 /nfs/dbraw/zinc/15/19/61/946151961.db2.gz SJPIHXMERKXQPG-RNFRBKRXSA-N -1 1 389.819 1.717 20 0 GDADMM O=C(N[C@@H]1CCCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1)[C@H]1CC1(F)F ZINC001571295084 946151967 /nfs/dbraw/zinc/15/19/67/946151967.db2.gz SJPIHXMERKXQPG-RNFRBKRXSA-N -1 1 389.819 1.717 20 0 GDADMM O=C(N[C@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2)[C@@H]1CCC1(F)F ZINC001571295329 946159369 /nfs/dbraw/zinc/15/93/69/946159369.db2.gz XZQOSHLDGDEUIE-QWRGUYRKSA-N -1 1 390.398 1.177 20 0 GDADMM O=C(N[C@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2)[C@@H]1CCC1(F)F ZINC001571295329 946159375 /nfs/dbraw/zinc/15/93/75/946159375.db2.gz XZQOSHLDGDEUIE-QWRGUYRKSA-N -1 1 390.398 1.177 20 0 GDADMM Cc1nc(C2([N-]S(=O)(=O)c3ccc(-c4nn[nH]n4)cn3)CCCCC2)no1 ZINC001571295654 946170054 /nfs/dbraw/zinc/17/00/54/946170054.db2.gz BAHAHCWPKUEERS-UHFFFAOYSA-N -1 1 390.429 1.091 20 0 GDADMM NC(=O)c1cc(-c2csc(NC(=O)c3ccc(-c4nnn[n-]4)s3)n2)c[nH]1 ZINC000822880551 946207912 /nfs/dbraw/zinc/20/79/12/946207912.db2.gz RJWSVHXVQDRDCA-UHFFFAOYSA-N -1 1 386.422 1.731 20 0 GDADMM NC(=O)c1cc(-c2csc(NC(=O)c3ccc(-c4nn[n-]n4)s3)n2)c[nH]1 ZINC000822880551 946207925 /nfs/dbraw/zinc/20/79/25/946207925.db2.gz RJWSVHXVQDRDCA-UHFFFAOYSA-N -1 1 386.422 1.731 20 0 GDADMM O=C(C[C@@H]1CCc2ccccc21)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571298903 946232473 /nfs/dbraw/zinc/23/24/73/946232473.db2.gz RPPUOMLWFMVEFQ-GJZGRUSLSA-N -1 1 390.451 1.790 20 0 GDADMM O=C(C[C@@H]1CCc2ccccc21)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571298903 946232482 /nfs/dbraw/zinc/23/24/82/946232482.db2.gz RPPUOMLWFMVEFQ-GJZGRUSLSA-N -1 1 390.451 1.790 20 0 GDADMM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1NC(=O)c1ccc(C2CC2)cc1 ZINC001571298934 946233733 /nfs/dbraw/zinc/23/37/33/946233733.db2.gz MAZVRZWBEUYDNV-SJKOYZFVSA-N -1 1 390.451 1.789 20 0 GDADMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1NC(=O)c1ccc(C2CC2)cc1 ZINC001571298934 946233743 /nfs/dbraw/zinc/23/37/43/946233743.db2.gz MAZVRZWBEUYDNV-SJKOYZFVSA-N -1 1 390.451 1.789 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@H](NC(=O)C3(c4ccccc4)CC3)C2)n1 ZINC001571298951 946236583 /nfs/dbraw/zinc/23/65/83/946236583.db2.gz MIRDQPYEMQHKQH-SHTZXODSSA-N -1 1 390.451 1.756 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@H](NC(=O)C3(c4ccccc4)CC3)C2)n1 ZINC001571298951 946236590 /nfs/dbraw/zinc/23/65/90/946236590.db2.gz MIRDQPYEMQHKQH-SHTZXODSSA-N -1 1 390.451 1.756 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccsc2Cl)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571299098 946239168 /nfs/dbraw/zinc/23/91/68/946239168.db2.gz IOHPGBSUZXXGIF-LDYMZIIASA-N -1 1 390.860 1.944 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccsc2Cl)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571299098 946239185 /nfs/dbraw/zinc/23/91/85/946239185.db2.gz IOHPGBSUZXXGIF-LDYMZIIASA-N -1 1 390.860 1.944 20 0 GDADMM Cc1nsc(N2C[C@H](NC(=O)c3ccns3)C(C)(C)C2)c1-c1nn[n-]n1 ZINC001571299103 946241913 /nfs/dbraw/zinc/24/19/13/946241913.db2.gz UJLMULULJYOGFE-JTQLQIEISA-N -1 1 390.498 1.733 20 0 GDADMM Cc1ncc(C(=O)N2CC[C@@H](CNc3snc(C)c3-c3nn[n-]n3)C2)s1 ZINC001571299592 946256231 /nfs/dbraw/zinc/25/62/31/946256231.db2.gz YFOFIJPUDLQAPL-JTQLQIEISA-N -1 1 390.498 1.971 20 0 GDADMM CNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1csc(-c3nn[n-]n3)c1)CC2 ZINC001571299790 946262601 /nfs/dbraw/zinc/26/26/01/946262601.db2.gz UYNKWRZTXZRYMF-UHFFFAOYSA-N -1 1 390.450 1.039 20 0 GDADMM C[C@]1(NC(=O)c2cc(Cl)cs2)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571300241 946277322 /nfs/dbraw/zinc/27/73/22/946277322.db2.gz XSNSWIRQHUUIOR-HNNXBMFYSA-N -1 1 390.860 1.770 20 0 GDADMM C[C@]1(NC(=O)c2cc(Cl)cs2)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571300241 946277333 /nfs/dbraw/zinc/27/73/33/946277333.db2.gz XSNSWIRQHUUIOR-HNNXBMFYSA-N -1 1 390.860 1.770 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2cscc2Cl)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571300238 946277579 /nfs/dbraw/zinc/27/75/79/946277579.db2.gz XPUBFEXNMBNTKR-KCJUWKMLSA-N -1 1 390.860 1.769 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2cscc2Cl)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571300238 946277591 /nfs/dbraw/zinc/27/75/91/946277591.db2.gz XPUBFEXNMBNTKR-KCJUWKMLSA-N -1 1 390.860 1.769 20 0 GDADMM CS[C@@H](C)C(=O)N1CCCC[C@@H]1CCNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001571300224 946278882 /nfs/dbraw/zinc/27/88/82/946278882.db2.gz XJBXNCUCJKSFEF-QWHCGFSZSA-N -1 1 390.517 1.900 20 0 GDADMM CS[C@@H](C)C(=O)N1CCCC[C@@H]1CCNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001571300224 946278892 /nfs/dbraw/zinc/27/88/92/946278892.db2.gz XJBXNCUCJKSFEF-QWHCGFSZSA-N -1 1 390.517 1.900 20 0 GDADMM COCC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571301768 946282553 /nfs/dbraw/zinc/28/25/53/946282553.db2.gz CQBLRKCWDKLAMC-HTQZYQBOSA-N -1 1 391.379 1.079 20 0 GDADMM Cc1cccc(C(=O)N[C@]23CCC[C@H]2CN(c2ccc(-c4nnn[n-]4)nn2)C3)n1 ZINC001571302551 946307937 /nfs/dbraw/zinc/30/79/37/946307937.db2.gz AXTYMVUSXDVVNL-DJJJIMSYSA-N -1 1 391.439 1.149 20 0 GDADMM Cc1cccc(C(=O)N[C@]23CCC[C@H]2CN(c2ccc(-c4nn[n-]n4)nn2)C3)n1 ZINC001571302551 946307945 /nfs/dbraw/zinc/30/79/45/946307945.db2.gz AXTYMVUSXDVVNL-DJJJIMSYSA-N -1 1 391.439 1.149 20 0 GDADMM O=C(c1cccnc1C1CC1)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571302855 946316419 /nfs/dbraw/zinc/31/64/19/946316419.db2.gz HTWPLVNZUAWYKS-UHFFFAOYSA-N -1 1 391.439 1.646 20 0 GDADMM O=C(c1cccnc1C1CC1)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571302855 946316432 /nfs/dbraw/zinc/31/64/32/946316432.db2.gz HTWPLVNZUAWYKS-UHFFFAOYSA-N -1 1 391.439 1.646 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CC23CCN(c2nccnc2-c2nnn[n-]2)CC3)ccn1 ZINC001571302905 946318595 /nfs/dbraw/zinc/31/85/95/946318595.db2.gz ITEHRUKKTAIKAU-CQSZACIVSA-N -1 1 391.439 1.149 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CC23CCN(c2nccnc2-c2nn[n-]n2)CC3)ccn1 ZINC001571302905 946318605 /nfs/dbraw/zinc/31/86/05/946318605.db2.gz ITEHRUKKTAIKAU-CQSZACIVSA-N -1 1 391.439 1.149 20 0 GDADMM Cc1cnccc1C(=O)N1CCC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001571303075 946325097 /nfs/dbraw/zinc/32/50/97/946325097.db2.gz KRQUNCWUOCBOQR-DZGCQCFKSA-N -1 1 391.439 1.101 20 0 GDADMM Cc1cnccc1C(=O)N1CCC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001571303075 946325113 /nfs/dbraw/zinc/32/51/13/946325113.db2.gz KRQUNCWUOCBOQR-DZGCQCFKSA-N -1 1 391.439 1.101 20 0 GDADMM O=C(c1ccnc(C2CC2)c1)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571303285 946332370 /nfs/dbraw/zinc/33/23/70/946332370.db2.gz NNXRMDVHTRDICM-LBPRGKRZSA-N -1 1 391.439 1.503 20 0 GDADMM O=C(c1ccnc(C2CC2)c1)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571303285 946332383 /nfs/dbraw/zinc/33/23/83/946332383.db2.gz NNXRMDVHTRDICM-LBPRGKRZSA-N -1 1 391.439 1.503 20 0 GDADMM CC[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1C[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571305574 946367318 /nfs/dbraw/zinc/36/73/18/946367318.db2.gz GCBSHVINKCMDRU-NMKXLXIOSA-N -1 1 391.501 1.753 20 0 GDADMM O=C(N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1csc(Cl)n1 ZINC001571306021 946384106 /nfs/dbraw/zinc/38/41/06/946384106.db2.gz NZYPIAYGMNOPQQ-QMMMGPOBSA-N -1 1 391.848 1.165 20 0 GDADMM O=C(N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1csc(Cl)n1 ZINC001571306021 946384115 /nfs/dbraw/zinc/38/41/15/946384115.db2.gz NZYPIAYGMNOPQQ-QMMMGPOBSA-N -1 1 391.848 1.165 20 0 GDADMM CN(c1ccnc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)c2scnc2Cl)C1 ZINC001571306187 946391183 /nfs/dbraw/zinc/39/11/83/946391183.db2.gz QLOHYGIHNPVZFK-QMMMGPOBSA-N -1 1 391.848 1.118 20 0 GDADMM Cc1nsc(N2CCO[C@@H](CNC(=O)[C@H]3CCC3(C)C)C2)c1-c1nn[n-]n1 ZINC001571306317 946396478 /nfs/dbraw/zinc/39/64/78/946396478.db2.gz SPAXECLZZOHXEH-NWDGAFQWSA-N -1 1 391.501 1.389 20 0 GDADMM Cc1nsc(N2CCO[C@H](CNC(=O)[C@H]3CCC3(C)C)C2)c1-c1nn[n-]n1 ZINC001571306319 946397207 /nfs/dbraw/zinc/39/72/07/946397207.db2.gz SPAXECLZZOHXEH-VXGBXAGGSA-N -1 1 391.501 1.389 20 0 GDADMM CCN(C(=O)c1csnn1)[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571306517 946401493 /nfs/dbraw/zinc/40/14/93/946401493.db2.gz WGVOGHHMECLBRK-VIFPVBQESA-N -1 1 391.486 1.224 20 0 GDADMM Cc1nsc(N2CC[C@@H](NC(=O)C(C)(C)C3CC3)[C@H](O)C2)c1-c1nn[n-]n1 ZINC001571306503 946402059 /nfs/dbraw/zinc/40/20/59/946402059.db2.gz VPKREYZBSNTSTF-VXGBXAGGSA-N -1 1 391.501 1.124 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1scnc1Cl ZINC001571306545 946402598 /nfs/dbraw/zinc/40/25/98/946402598.db2.gz XCPJCTFMVMLZMW-JGVFFNPUSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1scnc1Cl ZINC001571306545 946402608 /nfs/dbraw/zinc/40/26/08/946402608.db2.gz XCPJCTFMVMLZMW-JGVFFNPUSA-N -1 1 391.848 1.482 20 0 GDADMM Cc1nsc(NC[C@H]2CC[C@H](NC(=O)c3cnsn3)C2)c1-c1nn[n-]n1 ZINC001571306506 946402917 /nfs/dbraw/zinc/40/29/17/946402917.db2.gz VWYXSQCHASBAAQ-IUCAKERBSA-N -1 1 391.486 1.494 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571307581 946424446 /nfs/dbraw/zinc/42/44/46/946424446.db2.gz FNOFJTIGHDRQNV-WDEREUQCSA-N -1 1 392.414 1.020 20 0 GDADMM O=C([C@@H]1CCCC(F)(F)C1)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001571307756 946425420 /nfs/dbraw/zinc/42/54/20/946425420.db2.gz GUOORGRWSFJMMB-LLVKDONJSA-N -1 1 392.414 1.885 20 0 GDADMM O=C([C@@H]1CCCC(F)(F)C1)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001571307756 946425424 /nfs/dbraw/zinc/42/54/24/946425424.db2.gz GUOORGRWSFJMMB-LLVKDONJSA-N -1 1 392.414 1.885 20 0 GDADMM CC1(C(=O)N2CCC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)CC(F)(F)C1 ZINC001571308107 946430603 /nfs/dbraw/zinc/43/06/03/946430603.db2.gz MXMRKIHBRNMSMT-NSHDSACASA-N -1 1 392.414 1.165 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N(C)C[C@@H]2CCCN2C(=O)[C@H]2CC2(F)F)n1 ZINC001571309126 946439366 /nfs/dbraw/zinc/43/93/66/946439366.db2.gz WWKRXEUDFPHZJV-WDEREUQCSA-N -1 1 392.414 1.302 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N(C)C[C@@H]2CCCN2C(=O)[C@H]2CC2(F)F)n1 ZINC001571309126 946439376 /nfs/dbraw/zinc/43/93/76/946439376.db2.gz WWKRXEUDFPHZJV-WDEREUQCSA-N -1 1 392.414 1.302 20 0 GDADMM C[C@H](Nc1nccnc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)CC2CC(F)(F)C2)C1 ZINC001571309351 946442009 /nfs/dbraw/zinc/44/20/09/946442009.db2.gz YFTZFUDWRVTYDH-CMPLNLGQSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)CC2CC(F)(F)C2)C1 ZINC001571309351 946442017 /nfs/dbraw/zinc/44/20/17/946442017.db2.gz YFTZFUDWRVTYDH-CMPLNLGQSA-N -1 1 392.414 1.741 20 0 GDADMM O=C([C@H]1CCCC(F)(F)C1)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571309409 946444236 /nfs/dbraw/zinc/44/42/36/946444236.db2.gz ZLHFEIHFBHHGTL-NWDGAFQWSA-N -1 1 392.414 1.885 20 0 GDADMM O=C([C@H]1CCCC(F)(F)C1)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571309409 946444240 /nfs/dbraw/zinc/44/42/40/946444240.db2.gz ZLHFEIHFBHHGTL-NWDGAFQWSA-N -1 1 392.414 1.885 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc2c(c1)NC(=O)CO2 ZINC000823540980 946446309 /nfs/dbraw/zinc/44/63/09/946446309.db2.gz LNCMUXIKNUXOBY-UHFFFAOYSA-N -1 1 385.361 1.299 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc2c(c1)NC(=O)CO2 ZINC000823540980 946446315 /nfs/dbraw/zinc/44/63/15/946446315.db2.gz LNCMUXIKNUXOBY-UHFFFAOYSA-N -1 1 385.361 1.299 20 0 GDADMM O=C(CC1CC(F)(F)C1)N1CCC(CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571309918 946456456 /nfs/dbraw/zinc/45/64/56/946456456.db2.gz PKWDIIAINHKLAH-UHFFFAOYSA-N -1 1 392.414 1.743 20 0 GDADMM O=C(CC1CC(F)(F)C1)N1CCC(CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571309918 946456468 /nfs/dbraw/zinc/45/64/68/946456468.db2.gz PKWDIIAINHKLAH-UHFFFAOYSA-N -1 1 392.414 1.743 20 0 GDADMM O=C(CC1CC(F)(F)C1)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571310050 946460844 /nfs/dbraw/zinc/46/08/44/946460844.db2.gz SZFPZUWQPPYFPJ-GFCCVEGCSA-N -1 1 392.414 1.567 20 0 GDADMM O=C(CC1CC(F)(F)C1)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571310050 946460848 /nfs/dbraw/zinc/46/08/48/946460848.db2.gz SZFPZUWQPPYFPJ-GFCCVEGCSA-N -1 1 392.414 1.567 20 0 GDADMM O=C([C@H]1C[C@@H]1C(F)F)N1CCCC[C@@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001571310192 946463257 /nfs/dbraw/zinc/46/32/57/946463257.db2.gz XWHODSQQCKRNAQ-WOPDTQHZSA-N -1 1 392.414 1.741 20 0 GDADMM O=C([C@H]1C[C@@H]1C(F)F)N1CCCC[C@@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001571310192 946463265 /nfs/dbraw/zinc/46/32/65/946463265.db2.gz XWHODSQQCKRNAQ-WOPDTQHZSA-N -1 1 392.414 1.741 20 0 GDADMM CCCCc1ccc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)cc1 ZINC001571312709 946501567 /nfs/dbraw/zinc/50/15/67/946501567.db2.gz BFPCQXVWRXCLTG-UHFFFAOYSA-N -1 1 392.467 1.962 20 0 GDADMM CCCCc1ccc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)cc1 ZINC001571312709 946501576 /nfs/dbraw/zinc/50/15/76/946501576.db2.gz BFPCQXVWRXCLTG-UHFFFAOYSA-N -1 1 392.467 1.962 20 0 GDADMM CCc1ccc([C@@H](C)C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001571313197 946515552 /nfs/dbraw/zinc/51/55/52/946515552.db2.gz JRORAIQWOJPKJU-CZUORRHYSA-N -1 1 392.467 1.718 20 0 GDADMM CCc1ccc([C@@H](C)C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571313197 946515562 /nfs/dbraw/zinc/51/55/62/946515562.db2.gz JRORAIQWOJPKJU-CZUORRHYSA-N -1 1 392.467 1.718 20 0 GDADMM CCc1ccc(CCC(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001571313515 946524751 /nfs/dbraw/zinc/52/47/51/946524751.db2.gz QNQLZZZUCZFFAR-MRXNPFEDSA-N -1 1 392.467 1.865 20 0 GDADMM CCc1ccc(CCC(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001571313515 946524759 /nfs/dbraw/zinc/52/47/59/946524759.db2.gz QNQLZZZUCZFFAR-MRXNPFEDSA-N -1 1 392.467 1.865 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ccc2c(c1)CCOC2 ZINC001571313600 946528612 /nfs/dbraw/zinc/52/86/12/946528612.db2.gz UCTJORSURMRAMO-GASCZTMLSA-N -1 1 392.423 1.102 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ccc2c(c1)CCOC2 ZINC001571313600 946528622 /nfs/dbraw/zinc/52/86/22/946528622.db2.gz UCTJORSURMRAMO-GASCZTMLSA-N -1 1 392.423 1.102 20 0 GDADMM O=C(c1ccc2c(c1)COC2)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571313816 946533184 /nfs/dbraw/zinc/53/31/84/946533184.db2.gz VYTYDWCRYOYRFK-GFCCVEGCSA-N -1 1 392.423 1.261 20 0 GDADMM O=C(c1ccc2c(c1)COC2)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571313816 946533193 /nfs/dbraw/zinc/53/31/93/946533193.db2.gz VYTYDWCRYOYRFK-GFCCVEGCSA-N -1 1 392.423 1.261 20 0 GDADMM CC(=O)Nc1cc(Cl)ccc1NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000823999491 946538382 /nfs/dbraw/zinc/53/83/82/946538382.db2.gz CSHBNMAHBYCACU-UHFFFAOYSA-N -1 1 375.776 1.956 20 0 GDADMM CC(=O)Nc1cc(Cl)ccc1NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000823999491 946538387 /nfs/dbraw/zinc/53/83/87/946538387.db2.gz CSHBNMAHBYCACU-UHFFFAOYSA-N -1 1 375.776 1.956 20 0 GDADMM Cc1cc(C)cc(CC(=O)N2C[C@H](C)[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571316009 946563365 /nfs/dbraw/zinc/56/33/65/946563365.db2.gz ROPWDOWCPRRBLS-WMLDXEAASA-N -1 1 392.467 1.775 20 0 GDADMM Cc1cc(C)cc(CC(=O)N2C[C@H](C)[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571316009 946563371 /nfs/dbraw/zinc/56/33/71/946563371.db2.gz ROPWDOWCPRRBLS-WMLDXEAASA-N -1 1 392.467 1.775 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824103478 946588258 /nfs/dbraw/zinc/58/82/58/946588258.db2.gz BQYQBGBCRZREHJ-KGLIPLIRSA-N -1 1 399.455 1.876 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824103478 946588266 /nfs/dbraw/zinc/58/82/66/946588266.db2.gz BQYQBGBCRZREHJ-KGLIPLIRSA-N -1 1 399.455 1.876 20 0 GDADMM CC(C)(C)Oc1c(F)cc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1F ZINC000824119627 946596384 /nfs/dbraw/zinc/59/63/84/946596384.db2.gz MKFHJOMWOQGOHN-UHFFFAOYSA-N -1 1 378.343 1.552 20 0 GDADMM CS(=O)(=O)c1cc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)ccc1Cl ZINC001571317453 946612153 /nfs/dbraw/zinc/61/21/53/946612153.db2.gz IUCHWAMVMOKAAD-UHFFFAOYSA-N -1 1 392.828 1.249 20 0 GDADMM CS(=O)(=O)c1cc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)ccc1Cl ZINC001571317453 946612154 /nfs/dbraw/zinc/61/21/54/946612154.db2.gz IUCHWAMVMOKAAD-UHFFFAOYSA-N -1 1 392.828 1.249 20 0 GDADMM CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000824207387 946622512 /nfs/dbraw/zinc/62/25/12/946622512.db2.gz VMFOJAMIQDHHQY-WFASDCNBSA-N -1 1 397.443 1.189 20 0 GDADMM Brc1ccc(-c2nnc(Cn3cc(-c4nn[n-]n4)nn3)o2)s1 ZINC001573279209 946634348 /nfs/dbraw/zinc/63/43/48/946634348.db2.gz DYYNUKRFCYOLFN-UHFFFAOYSA-N -1 1 380.191 1.381 20 0 GDADMM CC(=O)NC[C@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)CCC1(F)F ZINC001573530341 946693244 /nfs/dbraw/zinc/69/32/44/946693244.db2.gz XUWLAIZBADVBIW-ZETCQYMHSA-N -1 1 377.808 1.574 20 0 GDADMM CC(=O)NC[C@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)CCC1(F)F ZINC001573530341 946693247 /nfs/dbraw/zinc/69/32/47/946693247.db2.gz XUWLAIZBADVBIW-ZETCQYMHSA-N -1 1 377.808 1.574 20 0 GDADMM CC[C@](C)(CCCNC(=O)Cc1noc(C)c1-c1nnn[n-]1)C1OCCO1 ZINC000825044409 947059369 /nfs/dbraw/zinc/05/93/69/947059369.db2.gz PYIVVQIUTUJOSQ-QGZVFWFLSA-N -1 1 378.433 1.391 20 0 GDADMM CC[C@](C)(CCCNC(=O)Cc1noc(C)c1-c1nn[n-]n1)C1OCCO1 ZINC000825044409 947059381 /nfs/dbraw/zinc/05/93/81/947059381.db2.gz PYIVVQIUTUJOSQ-QGZVFWFLSA-N -1 1 378.433 1.391 20 0 GDADMM CC[C@@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)[C@H](O)c1c(F)cccc1F ZINC000825132972 947092199 /nfs/dbraw/zinc/09/21/99/947092199.db2.gz GOZNRGKZMGXAAP-BZNIZROVSA-N -1 1 392.366 1.612 20 0 GDADMM CC[C@@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)[C@H](O)c1c(F)cccc1F ZINC000825132972 947092209 /nfs/dbraw/zinc/09/22/09/947092209.db2.gz GOZNRGKZMGXAAP-BZNIZROVSA-N -1 1 392.366 1.612 20 0 GDADMM CCCC(=O)Nc1ccc(CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)cc1 ZINC000825225205 947125519 /nfs/dbraw/zinc/12/55/19/947125519.db2.gz OANZKJMIMGPLGG-UHFFFAOYSA-N -1 1 383.412 1.761 20 0 GDADMM CCCC(=O)Nc1ccc(CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)cc1 ZINC000825225205 947125529 /nfs/dbraw/zinc/12/55/29/947125529.db2.gz OANZKJMIMGPLGG-UHFFFAOYSA-N -1 1 383.412 1.761 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)c2ccc(OC)cc2OC)c1-c1nn[n-]n1 ZINC000825570669 947231778 /nfs/dbraw/zinc/23/17/78/947231778.db2.gz MGGBCSTVWAMHSN-UHFFFAOYSA-N -1 1 386.368 1.140 20 0 GDADMM CCOC(=O)c1cnn(Cc2cn(-c3ccc(Cl)cc3)nn2)c1-c1nn[n-]n1 ZINC000825571227 947233499 /nfs/dbraw/zinc/23/34/99/947233499.db2.gz VULFOOTUQQTNQZ-UHFFFAOYSA-N -1 1 399.802 1.522 20 0 GDADMM CCOC(=O)c1cnn(Cc2nc([C@H](C)OCC(C)C)no2)c1-c1nn[n-]n1 ZINC000825571272 947237517 /nfs/dbraw/zinc/23/75/17/947237517.db2.gz WZHKILRCECHYDF-JTQLQIEISA-N -1 1 390.404 1.405 20 0 GDADMM C=C/C(C)=C\CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C ZINC001573317212 947294760 /nfs/dbraw/zinc/29/47/60/947294760.db2.gz MQVUVKNPOBEJTF-XMRSSTEGSA-N -1 1 382.472 1.900 20 0 GDADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1cnc(-c2nnn[n-]2)cn1)n1cccc1 ZINC001573592386 947337202 /nfs/dbraw/zinc/33/72/02/947337202.db2.gz KCTCHMNHQZDBRI-ZDUSSCGKSA-N -1 1 383.460 1.616 20 0 GDADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1cnc(-c2nn[n-]n2)cn1)n1cccc1 ZINC001573592386 947337216 /nfs/dbraw/zinc/33/72/16/947337216.db2.gz KCTCHMNHQZDBRI-ZDUSSCGKSA-N -1 1 383.460 1.616 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@H]1CCSc2ccccc21 ZINC000825923690 947372084 /nfs/dbraw/zinc/37/20/84/947372084.db2.gz ROQGYDXVLVSRNC-LBPRGKRZSA-N -1 1 398.496 1.843 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@H]1CCSc2ccccc21 ZINC000825923690 947372098 /nfs/dbraw/zinc/37/20/98/947372098.db2.gz ROQGYDXVLVSRNC-LBPRGKRZSA-N -1 1 398.496 1.843 20 0 GDADMM C[C@@H](C(=O)N(CCO)CCNc1nccnc1-c1nnn[n-]1)[C@H](C)C(C)(C)C ZINC001573607122 947540218 /nfs/dbraw/zinc/54/02/18/947540218.db2.gz FTFJKAOJAZAHFQ-OLZOCXBDSA-N -1 1 390.492 1.208 20 0 GDADMM C[C@@H](C(=O)N(CCO)CCNc1nccnc1-c1nn[n-]n1)[C@H](C)C(C)(C)C ZINC001573607122 947540222 /nfs/dbraw/zinc/54/02/22/947540222.db2.gz FTFJKAOJAZAHFQ-OLZOCXBDSA-N -1 1 390.492 1.208 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C(C)(C)C1)C(C)(F)F ZINC001573614582 947587730 /nfs/dbraw/zinc/58/77/30/947587730.db2.gz MYJMGCAYYPZRCK-MWLCHTKSSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C(C)(C)C1)C(C)(F)F ZINC001573614582 947587741 /nfs/dbraw/zinc/58/77/41/947587741.db2.gz MYJMGCAYYPZRCK-MWLCHTKSSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001573615487 947603834 /nfs/dbraw/zinc/60/38/34/947603834.db2.gz RRFKQSCGFUBSOQ-BBBLOLIVSA-N -1 1 382.350 1.035 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001573615487 947603841 /nfs/dbraw/zinc/60/38/41/947603841.db2.gz RRFKQSCGFUBSOQ-BBBLOLIVSA-N -1 1 382.350 1.035 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573615284 947604247 /nfs/dbraw/zinc/60/42/47/947604247.db2.gz DAMWKASDQYUUEI-NWDGAFQWSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C(C)(C)C1)c1ccco1 ZINC001573615879 947613561 /nfs/dbraw/zinc/61/35/61/947613561.db2.gz UCEAINMDLYVNKL-SMDDNHRTSA-N -1 1 382.428 1.702 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C(C)(C)C1)c1ccco1 ZINC001573615879 947613565 /nfs/dbraw/zinc/61/35/65/947613565.db2.gz UCEAINMDLYVNKL-SMDDNHRTSA-N -1 1 382.428 1.702 20 0 GDADMM C[C@H](C(=O)N1CCC(C)(Nc2cnc(-c3nnn[n-]3)cn2)CC1)n1cccc1 ZINC001573616792 947627233 /nfs/dbraw/zinc/62/72/33/947627233.db2.gz NSYZWBFOPZSOPQ-CYBMUJFWSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@H](C(=O)N1CCC(C)(Nc2cnc(-c3nn[n-]n3)cn2)CC1)n1cccc1 ZINC001573616792 947627236 /nfs/dbraw/zinc/62/72/36/947627236.db2.gz NSYZWBFOPZSOPQ-CYBMUJFWSA-N -1 1 381.444 1.512 20 0 GDADMM C=Cc1ccc(C(=O)N(C)[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573352203 947627265 /nfs/dbraw/zinc/62/72/65/947627265.db2.gz YNQAZSFLLZXVEY-HNNXBMFYSA-N -1 1 376.424 1.651 20 0 GDADMM C=Cc1ccc(C(=O)N2C[C@H](Nc3nccnc3-c3nnn[n-]3)[C@@H](C)C2)cc1 ZINC001573352214 947631189 /nfs/dbraw/zinc/63/11/89/947631189.db2.gz YWXNMFAZUAEVTD-WFASDCNBSA-N -1 1 376.424 1.872 20 0 GDADMM C=Cc1ccc(C(=O)N2C[C@H](Nc3nccnc3-c3nn[n-]n3)[C@@H](C)C2)cc1 ZINC001573352214 947631193 /nfs/dbraw/zinc/63/11/93/947631193.db2.gz YWXNMFAZUAEVTD-WFASDCNBSA-N -1 1 376.424 1.872 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001573358183 947659467 /nfs/dbraw/zinc/65/94/67/947659467.db2.gz CBFMXYCFRLQGSU-INMHGKMJSA-N -1 1 388.435 1.839 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001573358183 947659476 /nfs/dbraw/zinc/65/94/76/947659476.db2.gz CBFMXYCFRLQGSU-INMHGKMJSA-N -1 1 388.435 1.839 20 0 GDADMM CSCCCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826228588 947669704 /nfs/dbraw/zinc/66/97/04/947669704.db2.gz UEIPSEMGHJKVMM-UHFFFAOYSA-N -1 1 380.478 1.016 20 0 GDADMM CSCCCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826228588 947669713 /nfs/dbraw/zinc/66/97/13/947669713.db2.gz UEIPSEMGHJKVMM-UHFFFAOYSA-N -1 1 380.478 1.016 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001573619863 947671592 /nfs/dbraw/zinc/67/15/92/947671592.db2.gz XDSPSKYPPGZWKA-KBPBESRZSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001573619863 947671597 /nfs/dbraw/zinc/67/15/97/947671597.db2.gz XDSPSKYPPGZWKA-KBPBESRZSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1)C(C)(C)C ZINC001573627552 947727652 /nfs/dbraw/zinc/72/76/52/947727652.db2.gz AFGZJOIOWYYOHB-ORAYPTAESA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1)C(C)(C)C ZINC001573627552 947727662 /nfs/dbraw/zinc/72/76/62/947727662.db2.gz AFGZJOIOWYYOHB-ORAYPTAESA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001573627822 947734888 /nfs/dbraw/zinc/73/48/88/947734888.db2.gz CTKVUQZQZDMXBI-TUAOUCFPSA-N -1 1 392.414 1.518 20 0 GDADMM CC(=O)[C@H]1CC(C(=O)N(C)c2ccc(-c3nnn[n-]3)nc2)=NN1c1ccccc1 ZINC001573366422 947740419 /nfs/dbraw/zinc/74/04/19/947740419.db2.gz PWZHEKWGSBIPCQ-QGZVFWFLSA-N -1 1 390.407 1.448 20 0 GDADMM CC(=O)[C@H]1CC(C(=O)N(C)c2ccc(-c3nn[n-]n3)nc2)=NN1c1ccccc1 ZINC001573366422 947740428 /nfs/dbraw/zinc/74/04/28/947740428.db2.gz PWZHEKWGSBIPCQ-QGZVFWFLSA-N -1 1 390.407 1.448 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cccs1 ZINC001573628003 947743652 /nfs/dbraw/zinc/74/36/52/947743652.db2.gz DYARCSNWXCWCSC-VXGBXAGGSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cccs1 ZINC001573628003 947743661 /nfs/dbraw/zinc/74/36/61/947743661.db2.gz DYARCSNWXCWCSC-VXGBXAGGSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)c1ccco1 ZINC001573628234 947750399 /nfs/dbraw/zinc/75/03/99/947750399.db2.gz JGVKXRHVBRPYJK-QWHCGFSZSA-N -1 1 382.428 1.268 20 0 GDADMM CC(=O)CCCC(=O)N1CCC([C@H](C)Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001573367223 947755385 /nfs/dbraw/zinc/75/53/85/947755385.db2.gz AXUFHPANKCGRQJ-ZDUSSCGKSA-N -1 1 386.460 1.455 20 0 GDADMM CC(=O)CCCC(=O)N1CCC([C@H](C)Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001573367223 947755396 /nfs/dbraw/zinc/75/53/96/947755396.db2.gz AXUFHPANKCGRQJ-ZDUSSCGKSA-N -1 1 386.460 1.455 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)C1CCC1 ZINC001573628697 947762217 /nfs/dbraw/zinc/76/22/17/947762217.db2.gz JLAJDALTXDUKMF-YUELXQCFSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)C1CCC1 ZINC001573628697 947762219 /nfs/dbraw/zinc/76/22/19/947762219.db2.gz JLAJDALTXDUKMF-YUELXQCFSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]2[C@H]1CCN2c1cncc(-c2nnn[n-]2)n1)C(C)(F)F ZINC001573629210 947776220 /nfs/dbraw/zinc/77/62/20/947776220.db2.gz RVFJYZSENOBIKN-KGYLQXTDSA-N -1 1 392.414 1.518 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]2[C@H]1CCN2c1cncc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001573629210 947776225 /nfs/dbraw/zinc/77/62/25/947776225.db2.gz RVFJYZSENOBIKN-KGYLQXTDSA-N -1 1 392.414 1.518 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001573629482 947779861 /nfs/dbraw/zinc/77/98/61/947779861.db2.gz ULNRAMMGHCPRSS-UWVGGRQHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001573629482 947779869 /nfs/dbraw/zinc/77/98/69/947779869.db2.gz ULNRAMMGHCPRSS-UWVGGRQHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573630232 947788340 /nfs/dbraw/zinc/78/83/40/947788340.db2.gz WYJWTSJTZRJFRD-NXEZZACHSA-N -1 1 384.366 1.070 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001573630757 947795001 /nfs/dbraw/zinc/79/50/01/947795001.db2.gz RXVDKYKROBSGGI-KGLIPLIRSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001573630757 947795011 /nfs/dbraw/zinc/79/50/11/947795011.db2.gz RXVDKYKROBSGGI-KGLIPLIRSA-N -1 1 381.444 1.147 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CC[C@H](C)N(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573375063 947815685 /nfs/dbraw/zinc/81/56/85/947815685.db2.gz LZLMXAKDODHKFV-GWCFXTLKSA-N -1 1 391.501 1.864 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC001573637606 947819093 /nfs/dbraw/zinc/81/90/93/947819093.db2.gz KFSMDTSOHSJMMG-STQMWFEESA-N -1 1 382.428 1.846 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC001573637606 947819101 /nfs/dbraw/zinc/81/91/01/947819101.db2.gz KFSMDTSOHSJMMG-STQMWFEESA-N -1 1 382.428 1.846 20 0 GDADMM C[C@@H](C(=O)N1CCCO[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)C1CCC1 ZINC001573637671 947822341 /nfs/dbraw/zinc/82/23/41/947822341.db2.gz MSLVMJYOQPWLIS-OCCSQVGLSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](C(=O)N1CCCO[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573637671 947822348 /nfs/dbraw/zinc/82/23/48/947822348.db2.gz MSLVMJYOQPWLIS-OCCSQVGLSA-N -1 1 386.460 1.122 20 0 GDADMM CC(=O)CCCC(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CCCC1 ZINC001573375655 947823235 /nfs/dbraw/zinc/82/32/35/947823235.db2.gz PWDQEWGYTOLBKD-OAHLLOKOSA-N -1 1 386.460 1.503 20 0 GDADMM CC(=O)CCCC(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CCCC1 ZINC001573375655 947823243 /nfs/dbraw/zinc/82/32/43/947823243.db2.gz PWDQEWGYTOLBKD-OAHLLOKOSA-N -1 1 386.460 1.503 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H](C)CN(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573376163 947831930 /nfs/dbraw/zinc/83/19/30/947831930.db2.gz SFRGPJQZTUKMHC-QMMMGPOBSA-N -1 1 385.881 1.677 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H](C)CN(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573376163 947831945 /nfs/dbraw/zinc/83/19/45/947831945.db2.gz SFRGPJQZTUKMHC-QMMMGPOBSA-N -1 1 385.881 1.677 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)C(C)(F)F ZINC001573638166 947835724 /nfs/dbraw/zinc/83/57/24/947835724.db2.gz HOBSVXPTEWKSFO-SDDRHHMPSA-N -1 1 392.414 1.375 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)C(C)(F)F ZINC001573638166 947835729 /nfs/dbraw/zinc/83/57/29/947835729.db2.gz HOBSVXPTEWKSFO-SDDRHHMPSA-N -1 1 392.414 1.375 20 0 GDADMM C[C@H](C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1)[C@@H]1CCCO1 ZINC001573638337 947838774 /nfs/dbraw/zinc/83/87/74/947838774.db2.gz KOGIAAKRPPZQOU-JSGCOSHPSA-N -1 1 376.486 1.388 20 0 GDADMM Cc1onc(CC(=O)N[C@H]2CCCN(c3ccc(C)cc3)C2=O)c1-c1nnn[n-]1 ZINC000826289557 947841333 /nfs/dbraw/zinc/84/13/33/947841333.db2.gz FPNTWHDGEMRBTF-AWEZNQCLSA-N -1 1 395.423 1.326 20 0 GDADMM Cc1onc(CC(=O)N[C@H]2CCCN(c3ccc(C)cc3)C2=O)c1-c1nn[n-]n1 ZINC000826289557 947841344 /nfs/dbraw/zinc/84/13/44/947841344.db2.gz FPNTWHDGEMRBTF-AWEZNQCLSA-N -1 1 395.423 1.326 20 0 GDADMM CC(=O)CCCC(=O)NCC1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573381015 947868913 /nfs/dbraw/zinc/86/89/13/947868913.db2.gz NBASDIKBPDOMFE-UHFFFAOYSA-N -1 1 386.460 1.139 20 0 GDADMM CC(=O)CCCC(=O)NCC1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573381015 947868921 /nfs/dbraw/zinc/86/89/21/947868921.db2.gz NBASDIKBPDOMFE-UHFFFAOYSA-N -1 1 386.460 1.139 20 0 GDADMM CC(=O)CCCC(=O)NCCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573382107 947884519 /nfs/dbraw/zinc/88/45/19/947884519.db2.gz DWEDZPJUUAABJB-UHFFFAOYSA-N -1 1 386.460 1.139 20 0 GDADMM CC(=O)CCCC(=O)NCCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573382107 947884530 /nfs/dbraw/zinc/88/45/30/947884530.db2.gz DWEDZPJUUAABJB-UHFFFAOYSA-N -1 1 386.460 1.139 20 0 GDADMM CC(C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1)=C1CCCC1 ZINC001573647130 947885603 /nfs/dbraw/zinc/88/56/03/947885603.db2.gz CVDJTKJAMDLQPG-GASCZTMLSA-N -1 1 380.456 1.442 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1F ZINC001573647499 947896834 /nfs/dbraw/zinc/89/68/34/947896834.db2.gz MYLGHOUSBOEGKQ-TYNCELHUSA-N -1 1 396.430 1.280 20 0 GDADMM CC(=O)CCc1ccc(OCCC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC001573384836 947908710 /nfs/dbraw/zinc/90/87/10/947908710.db2.gz YCITWNOICFFTNQ-UHFFFAOYSA-N -1 1 383.412 1.529 20 0 GDADMM CC(=O)CCc1ccc(OCCC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC001573384836 947908714 /nfs/dbraw/zinc/90/87/14/947908714.db2.gz YCITWNOICFFTNQ-UHFFFAOYSA-N -1 1 383.412 1.529 20 0 GDADMM C[C@H](C(=O)N=[S@](C)(=O)c1cccc(Cl)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001573651031 947918250 /nfs/dbraw/zinc/91/82/50/947918250.db2.gz IMABSOAQNXWYFV-IWHNICOQSA-N -1 1 380.821 1.356 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1nc(-c2nn[n-]n2)c(Cl)s1)C1CC1 ZINC001573651693 947923572 /nfs/dbraw/zinc/92/35/72/947923572.db2.gz OYXXUUXCCDNAJJ-JEZHCXPESA-N -1 1 379.877 1.812 20 0 GDADMM Cc1cnc(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)c(C)c1 ZINC000826318114 947932692 /nfs/dbraw/zinc/93/26/92/947932692.db2.gz WLTRABJBYOXYLT-UHFFFAOYSA-N -1 1 394.439 1.706 20 0 GDADMM C[C@H](C(=O)N[C@](C)(CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)c1ccco1 ZINC001573653413 947957693 /nfs/dbraw/zinc/95/76/93/947957693.db2.gz LKWHFHNCFAMVLW-BBATYDOGSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](C(=O)N[C@](C)(CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)c1ccco1 ZINC001573653413 947957699 /nfs/dbraw/zinc/95/76/99/947957699.db2.gz LKWHFHNCFAMVLW-BBATYDOGSA-N -1 1 382.428 1.750 20 0 GDADMM Cc1onc(CC(=O)N(C)Cc2nc(C(F)(F)F)cs2)c1-c1nnn[n-]1 ZINC000826342947 947985537 /nfs/dbraw/zinc/98/55/37/947985537.db2.gz GIOPACDNYXITLU-UHFFFAOYSA-N -1 1 387.347 1.840 20 0 GDADMM Cc1onc(CC(=O)N(C)Cc2nc(C(F)(F)F)cs2)c1-c1nn[n-]n1 ZINC000826342947 947985545 /nfs/dbraw/zinc/98/55/45/947985545.db2.gz GIOPACDNYXITLU-UHFFFAOYSA-N -1 1 387.347 1.840 20 0 GDADMM Cc1onc(CC(=O)N(C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1-c1nnn[n-]1 ZINC000826343011 947986792 /nfs/dbraw/zinc/98/67/92/947986792.db2.gz IZKMIBRXVUKSAU-NSHDSACASA-N -1 1 391.432 1.173 20 0 GDADMM Cc1onc(CC(=O)N(C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1-c1nn[n-]n1 ZINC000826343011 947986794 /nfs/dbraw/zinc/98/67/94/947986794.db2.gz IZKMIBRXVUKSAU-NSHDSACASA-N -1 1 391.432 1.173 20 0 GDADMM Cc1onc(CC(=O)N2CCC(N(C)c3ccccc3)CC2)c1-c1nnn[n-]1 ZINC000826343546 947992497 /nfs/dbraw/zinc/99/24/97/947992497.db2.gz FULMJCQHNHKJOO-UHFFFAOYSA-N -1 1 381.440 1.833 20 0 GDADMM Cc1onc(CC(=O)N2CCC(N(C)c3ccccc3)CC2)c1-c1nn[n-]n1 ZINC000826343546 947992502 /nfs/dbraw/zinc/99/25/02/947992502.db2.gz FULMJCQHNHKJOO-UHFFFAOYSA-N -1 1 381.440 1.833 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@H](c3nncn3C(C)C)C2)c1-c1nnn[n-]1 ZINC000826344530 948008813 /nfs/dbraw/zinc/00/88/13/948008813.db2.gz KLDYWLSFUBARMZ-LBPRGKRZSA-N -1 1 385.432 1.284 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@H](c3nncn3C(C)C)C2)c1-c1nn[n-]n1 ZINC000826344530 948008821 /nfs/dbraw/zinc/00/88/21/948008821.db2.gz KLDYWLSFUBARMZ-LBPRGKRZSA-N -1 1 385.432 1.284 20 0 GDADMM Cc1onc(CC(=O)N2CCO[C@@H](c3ccccc3Cl)C2)c1-c1nnn[n-]1 ZINC000826344540 948009128 /nfs/dbraw/zinc/00/91/28/948009128.db2.gz KOKBKUTTZXXELB-CQSZACIVSA-N -1 1 388.815 1.959 20 0 GDADMM Cc1onc(CC(=O)N2CCO[C@@H](c3ccccc3Cl)C2)c1-c1nn[n-]n1 ZINC000826344540 948009134 /nfs/dbraw/zinc/00/91/34/948009134.db2.gz KOKBKUTTZXXELB-CQSZACIVSA-N -1 1 388.815 1.959 20 0 GDADMM Cc1onc(CC(=O)N2CCN([C@@H](C)c3cccnc3)CC2)c1-c1nn[n-]n1 ZINC000826344665 948012647 /nfs/dbraw/zinc/01/26/47/948012647.db2.gz OBKIERUOALDTFJ-LBPRGKRZSA-N -1 1 382.428 1.006 20 0 GDADMM C[C@@H](C(=O)N[C@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccsc1 ZINC001573659124 948013213 /nfs/dbraw/zinc/01/32/13/948013213.db2.gz VNRPSNWMPUNVLD-PIGZYNQJSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)N[C@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccsc1 ZINC001573659124 948013224 /nfs/dbraw/zinc/01/32/24/948013224.db2.gz VNRPSNWMPUNVLD-PIGZYNQJSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NC1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C(C)(F)F ZINC001573660038 948018069 /nfs/dbraw/zinc/01/80/69/948018069.db2.gz XBRCURGCWBJCCM-SNVBAGLBSA-N -1 1 380.403 1.423 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](C)c2noc(Cc3ccccc3)n2)c1-c1nnn[n-]1 ZINC000826345313 948020973 /nfs/dbraw/zinc/02/09/73/948020973.db2.gz ISRNYBCMPFWBOG-JTQLQIEISA-N -1 1 394.395 1.557 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](C)c2noc(Cc3ccccc3)n2)c1-c1nn[n-]n1 ZINC000826345313 948020974 /nfs/dbraw/zinc/02/09/74/948020974.db2.gz ISRNYBCMPFWBOG-JTQLQIEISA-N -1 1 394.395 1.557 20 0 GDADMM Cc1onc(CC(=O)N[C@H](Cc2nccn2C)c2ccccc2)c1-c1nn[n-]n1 ZINC000826345709 948028807 /nfs/dbraw/zinc/02/88/07/948028807.db2.gz RTOSIBPKEFOJJJ-CQSZACIVSA-N -1 1 392.423 1.539 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](CC(=O)N(C)C)c2ccccc2)c1-c1nnn[n-]1 ZINC000826345966 948032898 /nfs/dbraw/zinc/03/28/98/948032898.db2.gz ZCDFOZMSMFMLNX-ZDUSSCGKSA-N -1 1 383.412 1.041 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](CC(=O)N(C)C)c2ccccc2)c1-c1nn[n-]n1 ZINC000826345966 948032904 /nfs/dbraw/zinc/03/29/04/948032904.db2.gz ZCDFOZMSMFMLNX-ZDUSSCGKSA-N -1 1 383.412 1.041 20 0 GDADMM Cc1onc(CC(=O)NCCOc2ccc(C(F)(F)F)cn2)c1-c1nnn[n-]1 ZINC000826347279 948051505 /nfs/dbraw/zinc/05/15/05/948051505.db2.gz LQFLXPQFMHPXFY-UHFFFAOYSA-N -1 1 397.317 1.315 20 0 GDADMM Cc1onc(CC(=O)NCCOc2ccc(C(F)(F)F)cn2)c1-c1nn[n-]n1 ZINC000826347279 948051515 /nfs/dbraw/zinc/05/15/15/948051515.db2.gz LQFLXPQFMHPXFY-UHFFFAOYSA-N -1 1 397.317 1.315 20 0 GDADMM C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1)C(C)(C)C ZINC001573664579 948056884 /nfs/dbraw/zinc/05/68/84/948056884.db2.gz FWCVSJPJCTZDKK-FUDCBSFHSA-N -1 1 384.488 1.955 20 0 GDADMM C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1)C(C)(C)C ZINC001573664579 948056892 /nfs/dbraw/zinc/05/68/92/948056892.db2.gz FWCVSJPJCTZDKK-FUDCBSFHSA-N -1 1 384.488 1.955 20 0 GDADMM Cc1onc(CC(=O)NCc2ccc(N3CCCC3=O)cc2)c1-c1nnn[n-]1 ZINC000826348121 948065895 /nfs/dbraw/zinc/06/58/95/948065895.db2.gz VOXSVTUIHJARBF-UHFFFAOYSA-N -1 1 381.396 1.149 20 0 GDADMM Cc1onc(CC(=O)NCc2ccc(N3CCCC3=O)cc2)c1-c1nn[n-]n1 ZINC000826348121 948065900 /nfs/dbraw/zinc/06/59/00/948065900.db2.gz VOXSVTUIHJARBF-UHFFFAOYSA-N -1 1 381.396 1.149 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)c1-c1nnn[n-]1 ZINC000826348518 948076027 /nfs/dbraw/zinc/07/60/27/948076027.db2.gz QHUVKNLALAMVTR-TXEJJXNPSA-N -1 1 397.439 1.958 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)c1-c1nn[n-]n1 ZINC000826348518 948076035 /nfs/dbraw/zinc/07/60/35/948076035.db2.gz QHUVKNLALAMVTR-TXEJJXNPSA-N -1 1 397.439 1.958 20 0 GDADMM C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)C(C)(F)F ZINC001573665722 948077364 /nfs/dbraw/zinc/07/73/64/948077364.db2.gz MKAPVCULAFHCKL-YEJSDXFRSA-N -1 1 392.414 1.564 20 0 GDADMM C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)C(C)(F)F ZINC001573665722 948077372 /nfs/dbraw/zinc/07/73/72/948077372.db2.gz MKAPVCULAFHCKL-YEJSDXFRSA-N -1 1 392.414 1.564 20 0 GDADMM CC(=O)N(c1ccc(Nc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)cc1)[C@H]1C[C@H]1C ZINC001573414122 948091446 /nfs/dbraw/zinc/09/14/46/948091446.db2.gz HLZBCCQULPNXLC-RNCFNFMXSA-N -1 1 396.411 1.171 20 0 GDADMM C[C@H](C(=O)NC1CCC(Nc2nccnc2-c2nnn[n-]2)CC1)c1ccco1 ZINC001573667466 948100227 /nfs/dbraw/zinc/10/02/27/948100227.db2.gz ZWULIEHKTYDVLX-HIFPTAJRSA-N -1 1 382.428 1.893 20 0 GDADMM C[C@H](C(=O)NC1CCC(Nc2nccnc2-c2nn[n-]n2)CC1)c1ccco1 ZINC001573667466 948100236 /nfs/dbraw/zinc/10/02/36/948100236.db2.gz ZWULIEHKTYDVLX-HIFPTAJRSA-N -1 1 382.428 1.893 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1cccc(F)c1 ZINC001573672157 948109024 /nfs/dbraw/zinc/10/90/24/948109024.db2.gz HKCSPTYIUMNRFD-RISCZKNCSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1cccc(F)c1 ZINC001573672157 948109036 /nfs/dbraw/zinc/10/90/36/948109036.db2.gz HKCSPTYIUMNRFD-RISCZKNCSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)CC1(C)C)C1CCC1 ZINC001573675386 948120448 /nfs/dbraw/zinc/12/04/48/948120448.db2.gz PTBGMTMEBAAQQO-TZMCWYRMSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)CC1(C)C)C1CCC1 ZINC001573675386 948120454 /nfs/dbraw/zinc/12/04/54/948120454.db2.gz PTBGMTMEBAAQQO-TZMCWYRMSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C)C1CCC1 ZINC001573675906 948124703 /nfs/dbraw/zinc/12/47/03/948124703.db2.gz RPFDKQNUDPNLJZ-TZMCWYRMSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC1(C)C)C(F)(F)F ZINC001573677825 948141225 /nfs/dbraw/zinc/14/12/25/948141225.db2.gz FLUFTUNBNWTSIR-RKDXNWHRSA-N -1 1 384.366 1.186 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC1(C)C)C(F)(F)F ZINC001573677825 948141231 /nfs/dbraw/zinc/14/12/31/948141231.db2.gz FLUFTUNBNWTSIR-RKDXNWHRSA-N -1 1 384.366 1.186 20 0 GDADMM C[C@H](C(=O)NC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)c1ccccc1)C1CC1 ZINC001573679706 948165870 /nfs/dbraw/zinc/16/58/70/948165870.db2.gz JQTXCIJTUGUGPL-SWLSCSKDSA-N -1 1 378.440 1.972 20 0 GDADMM C[C@H](C(=O)NC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)c1ccccc1)C1CC1 ZINC001573679706 948165876 /nfs/dbraw/zinc/16/58/76/948165876.db2.gz JQTXCIJTUGUGPL-SWLSCSKDSA-N -1 1 378.440 1.972 20 0 GDADMM C[C@H](C(=O)NC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1)c1cccs1 ZINC001573680308 948177186 /nfs/dbraw/zinc/17/71/86/948177186.db2.gz MXRKRXUEIYILKS-CMPLNLGQSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1)c1cccs1 ZINC001573680308 948177191 /nfs/dbraw/zinc/17/71/91/948177191.db2.gz MXRKRXUEIYILKS-CMPLNLGQSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)NC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1)c1cccnc1 ZINC001573681187 948197477 /nfs/dbraw/zinc/19/74/77/948197477.db2.gz SOLYTKJWEHHIFR-BXUZGUMPSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@@H](C(=O)NC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1)c1cccnc1 ZINC001573681187 948197483 /nfs/dbraw/zinc/19/74/83/948197483.db2.gz SOLYTKJWEHHIFR-BXUZGUMPSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@H](C(=O)NC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)c1ccccc1)C1CC1 ZINC001573681292 948198918 /nfs/dbraw/zinc/19/89/18/948198918.db2.gz UMUKAUFYQGFCOG-SWLSCSKDSA-N -1 1 378.440 1.394 20 0 GDADMM C[C@H](C(=O)NC[C@@]1(C)CN(c2cnc(-c3nnn[n-]3)cn2)CCO1)C(C)(C)C ZINC001573691844 948248927 /nfs/dbraw/zinc/24/89/27/948248927.db2.gz KHLXGHJZJABUTG-XIKOKIGWSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@H](C(=O)NC[C@@]1(C)CN(c2cnc(-c3nn[n-]n3)cn2)CCO1)C(C)(C)C ZINC001573691844 948248938 /nfs/dbraw/zinc/24/89/38/948248938.db2.gz KHLXGHJZJABUTG-XIKOKIGWSA-N -1 1 388.476 1.050 20 0 GDADMM O=C(COC(=O)[C@H]1[C@@H]2CCC[C@@H]21)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000826414578 948254013 /nfs/dbraw/zinc/25/40/13/948254013.db2.gz BPYOAAVKFUVRJF-VIKVFOODSA-N -1 1 393.407 1.580 20 0 GDADMM O=C(COC(=O)[C@H]1[C@@H]2CCC[C@@H]21)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000826414578 948254021 /nfs/dbraw/zinc/25/40/21/948254021.db2.gz BPYOAAVKFUVRJF-VIKVFOODSA-N -1 1 393.407 1.580 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CC1)c1ccccc1F ZINC001573693723 948285029 /nfs/dbraw/zinc/28/50/29/948285029.db2.gz YOKJKFIPRWKXGN-LLVKDONJSA-N -1 1 382.403 1.660 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CC1)c1ccccc1F ZINC001573693723 948285037 /nfs/dbraw/zinc/28/50/37/948285037.db2.gz YOKJKFIPRWKXGN-LLVKDONJSA-N -1 1 382.403 1.660 20 0 GDADMM CC(C(=O)NC[C@]1(O)CCN(c2snc(C)c2-c2nn[n-]n2)C1)=C1CCC1 ZINC001573694338 948294582 /nfs/dbraw/zinc/29/45/82/948294582.db2.gz CQHZFURTXLQNAQ-QGZVFWFLSA-N -1 1 389.485 1.189 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001573701482 948337535 /nfs/dbraw/zinc/33/75/35/948337535.db2.gz ALHWTIVCIJTHRR-NXEZZACHSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573701482 948337543 /nfs/dbraw/zinc/33/75/43/948337543.db2.gz ALHWTIVCIJTHRR-NXEZZACHSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1)n1cccc1 ZINC001573702904 948350638 /nfs/dbraw/zinc/35/06/38/948350638.db2.gz HFDHFUPUSWQDPG-UONOGXRCSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1)n1cccc1 ZINC001573702904 948350645 /nfs/dbraw/zinc/35/06/45/948350645.db2.gz HFDHFUPUSWQDPG-UONOGXRCSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCCCN1c1cncc(-c2nnn[n-]2)n1)C1CCC1 ZINC001573703425 948355533 /nfs/dbraw/zinc/35/55/33/948355533.db2.gz JYUNPCFQKCLZLA-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCCCN1c1cncc(-c2nn[n-]n2)n1)C1CCC1 ZINC001573703425 948355540 /nfs/dbraw/zinc/35/55/40/948355540.db2.gz JYUNPCFQKCLZLA-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001573703762 948360434 /nfs/dbraw/zinc/36/04/34/948360434.db2.gz MLLYHUYYKYEFSD-KGLIPLIRSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001573703762 948360443 /nfs/dbraw/zinc/36/04/43/948360443.db2.gz MLLYHUYYKYEFSD-KGLIPLIRSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1)C(C)(F)F ZINC001573704015 948361564 /nfs/dbraw/zinc/36/15/64/948361564.db2.gz NYULWGNVCMFZKU-MNOVXSKESA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1)C(C)(F)F ZINC001573704015 948361571 /nfs/dbraw/zinc/36/15/71/948361571.db2.gz NYULWGNVCMFZKU-MNOVXSKESA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573704321 948370390 /nfs/dbraw/zinc/37/03/90/948370390.db2.gz APHXEZBACHLAOO-NEPJUHHUSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)C(C)(F)F ZINC001573704449 948373822 /nfs/dbraw/zinc/37/38/22/948373822.db2.gz SJMVZZQQWABVAM-WDEREUQCSA-N -1 1 380.403 1.281 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)C(C)(F)F ZINC001573704449 948373831 /nfs/dbraw/zinc/37/38/31/948373831.db2.gz SJMVZZQQWABVAM-WDEREUQCSA-N -1 1 380.403 1.281 20 0 GDADMM C[C@H](C(=O)NCCC1(CNc2nccnc2-c2nnn[n-]2)CC1)C(F)(F)F ZINC001573704951 948387467 /nfs/dbraw/zinc/38/74/67/948387467.db2.gz CBUYZWIBWBPHNV-SECBINFHSA-N -1 1 384.366 1.554 20 0 GDADMM C[C@H](C(=O)NCCC1(CNc2nccnc2-c2nn[n-]n2)CC1)C(F)(F)F ZINC001573704951 948387473 /nfs/dbraw/zinc/38/74/73/948387473.db2.gz CBUYZWIBWBPHNV-SECBINFHSA-N -1 1 384.366 1.554 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001573705452 948400786 /nfs/dbraw/zinc/40/07/86/948400786.db2.gz WXRQSWDUNLCQRU-KBPBESRZSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001573705452 948400789 /nfs/dbraw/zinc/40/07/89/948400789.db2.gz WXRQSWDUNLCQRU-KBPBESRZSA-N -1 1 381.444 1.052 20 0 GDADMM O[C@@H](COC(c1ccccc1)c1ccccc1)Cn1cnc(-c2nn[n-]n2)n1 ZINC000826504053 948422858 /nfs/dbraw/zinc/42/28/58/948422858.db2.gz MBQQSRSHICKQEP-MRXNPFEDSA-N -1 1 377.408 1.625 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cccs1 ZINC001573707200 948429439 /nfs/dbraw/zinc/42/94/39/948429439.db2.gz NTEKHRSGZPVMCG-VXGBXAGGSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573707200 948429443 /nfs/dbraw/zinc/42/94/43/948429443.db2.gz NTEKHRSGZPVMCG-VXGBXAGGSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cccs1 ZINC001573707194 948429573 /nfs/dbraw/zinc/42/95/73/948429573.db2.gz NTEKHRSGZPVMCG-NEPJUHHUSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573707194 948429577 /nfs/dbraw/zinc/42/95/77/948429577.db2.gz NTEKHRSGZPVMCG-NEPJUHHUSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccsc1 ZINC001573708175 948445249 /nfs/dbraw/zinc/44/52/49/948445249.db2.gz SDLHTQMSRIWKRG-VXGBXAGGSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccsc1 ZINC001573708175 948445254 /nfs/dbraw/zinc/44/52/54/948445254.db2.gz SDLHTQMSRIWKRG-VXGBXAGGSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1)c1ccc(F)cc1F ZINC001573713603 948466346 /nfs/dbraw/zinc/46/63/46/948466346.db2.gz AEKNFEDYODVNOO-JTQLQIEISA-N -1 1 388.382 1.291 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1)c1ccc(F)cc1F ZINC001573713603 948466351 /nfs/dbraw/zinc/46/63/51/948466351.db2.gz AEKNFEDYODVNOO-JTQLQIEISA-N -1 1 388.382 1.291 20 0 GDADMM C[C@H](C(=O)NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1)c1ccsc1 ZINC001573717065 948504673 /nfs/dbraw/zinc/50/46/73/948504673.db2.gz BDDRLFUAEMTDPJ-NSHDSACASA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)[C@H](C)C(C)(C)C ZINC001573725528 948542562 /nfs/dbraw/zinc/54/25/62/948542562.db2.gz ADHROTUDKBCXLT-XDQVBPFNSA-N -1 1 386.504 1.704 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccsc1 ZINC001573730096 948577600 /nfs/dbraw/zinc/57/76/00/948577600.db2.gz MSCTXZLQCVHWJK-NQBHXWOUSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccsc1 ZINC001573730096 948577606 /nfs/dbraw/zinc/57/76/06/948577606.db2.gz MSCTXZLQCVHWJK-NQBHXWOUSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H](C)c1c(F)cccc1F ZINC001573732512 948603212 /nfs/dbraw/zinc/60/32/12/948603212.db2.gz QCPJKKUPAMRVCD-UWVGGRQHSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H](C)c1c(F)cccc1F ZINC001573732512 948603217 /nfs/dbraw/zinc/60/32/17/948603217.db2.gz QCPJKKUPAMRVCD-UWVGGRQHSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H](C)c1ccc(F)c(F)c1 ZINC001573740607 948637804 /nfs/dbraw/zinc/63/78/04/948637804.db2.gz QROPJUVDBPZLEM-ZJUUUORDSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H](C)c1ccc(F)c(F)c1 ZINC001573740607 948637806 /nfs/dbraw/zinc/63/78/06/948637806.db2.gz QROPJUVDBPZLEM-ZJUUUORDSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)C[C@H]1C)C1CC1 ZINC001573740874 948645051 /nfs/dbraw/zinc/64/50/51/948645051.db2.gz UQXZTABURVMMRT-KHQFGBGNSA-N -1 1 381.893 1.964 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)C[C@H]1C)C1CC1 ZINC001573740874 948645055 /nfs/dbraw/zinc/64/50/55/948645055.db2.gz UQXZTABURVMMRT-KHQFGBGNSA-N -1 1 381.893 1.964 20 0 GDADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001573741083 948649367 /nfs/dbraw/zinc/64/93/67/948649367.db2.gz XKKUVARKITWFTL-MYPMTAMASA-N -1 1 391.439 1.081 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccccc1F ZINC001573745079 948667438 /nfs/dbraw/zinc/66/74/38/948667438.db2.gz AHQAHNJZUGRGIQ-UTUOFQBUSA-N -1 1 382.403 1.659 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccccc1F ZINC001573745079 948667444 /nfs/dbraw/zinc/66/74/44/948667444.db2.gz AHQAHNJZUGRGIQ-UTUOFQBUSA-N -1 1 382.403 1.659 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccccc1F ZINC001573751513 948701324 /nfs/dbraw/zinc/70/13/24/948701324.db2.gz AHQAHNJZUGRGIQ-IJLUTSLNSA-N -1 1 382.403 1.659 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccccc1F ZINC001573751513 948701331 /nfs/dbraw/zinc/70/13/31/948701331.db2.gz AHQAHNJZUGRGIQ-IJLUTSLNSA-N -1 1 382.403 1.659 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1)C(C)(F)F ZINC001573753601 948718926 /nfs/dbraw/zinc/71/89/26/948718926.db2.gz VTESWLFCVIBDJT-SVDPJWKOSA-N -1 1 378.387 1.174 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1)C(C)(F)F ZINC001573753601 948718933 /nfs/dbraw/zinc/71/89/33/948718933.db2.gz VTESWLFCVIBDJT-SVDPJWKOSA-N -1 1 378.387 1.174 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1)c1ccco1 ZINC001573753661 948721539 /nfs/dbraw/zinc/72/15/39/948721539.db2.gz WRLXFRDDQMKTOH-RNJOBUHISA-N -1 1 380.412 1.279 20 0 GDADMM CC(C)[C@@H](F)C(=O)N1CC[C@]2(C1)CCCN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001574075661 948747656 /nfs/dbraw/zinc/74/76/56/948747656.db2.gz YJTUMDPGDXCAQY-RDTXWAMCSA-N -1 1 388.451 1.470 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001574678387 948749564 /nfs/dbraw/zinc/74/95/64/948749564.db2.gz FGOOHUKESLSXAE-KWCYVHTRSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001574678387 948749573 /nfs/dbraw/zinc/74/95/73/948749573.db2.gz FGOOHUKESLSXAE-KWCYVHTRSA-N -1 1 379.428 1.162 20 0 GDADMM CC(C)[C@@H](F)C(=O)N1CC[C@@]2(C1)CCCN(c1nccnc1-c1nnn[n-]1)C2 ZINC001574075680 948749903 /nfs/dbraw/zinc/74/99/03/948749903.db2.gz YTOIJDHBYSWAFM-ACJLOTCBSA-N -1 1 388.451 1.470 20 0 GDADMM CC(C)[C@@H](F)C(=O)N1CC[C@@]2(C1)CCCN(c1nccnc1-c1nn[n-]n1)C2 ZINC001574075680 948749916 /nfs/dbraw/zinc/74/99/16/948749916.db2.gz YTOIJDHBYSWAFM-ACJLOTCBSA-N -1 1 388.451 1.470 20 0 GDADMM CC(F)(F)C1(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)nn3)CCC2)CC1 ZINC001575222185 948754204 /nfs/dbraw/zinc/75/42/04/948754204.db2.gz GDHMXYBBUQAODJ-UHFFFAOYSA-N -1 1 378.387 1.543 20 0 GDADMM CC(F)(F)C1(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)nn3)CCC2)CC1 ZINC001575222185 948754215 /nfs/dbraw/zinc/75/42/15/948754215.db2.gz GDHMXYBBUQAODJ-UHFFFAOYSA-N -1 1 378.387 1.543 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001575222730 948758248 /nfs/dbraw/zinc/75/82/48/948758248.db2.gz HYWOAQNSALWAOL-JTQLQIEISA-N -1 1 378.387 1.035 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575222730 948758256 /nfs/dbraw/zinc/75/82/56/948758256.db2.gz HYWOAQNSALWAOL-JTQLQIEISA-N -1 1 378.387 1.035 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)C1(Cc2ccccc2)CC1 ZINC001574678875 948762110 /nfs/dbraw/zinc/76/21/10/948762110.db2.gz KRLQGJWGCGQEBH-CQSZACIVSA-N -1 1 392.467 1.986 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)C1(Cc2ccccc2)CC1 ZINC001574678875 948762115 /nfs/dbraw/zinc/76/21/15/948762115.db2.gz KRLQGJWGCGQEBH-CQSZACIVSA-N -1 1 392.467 1.986 20 0 GDADMM CC(F)(F)CC(=O)NC1(CNc2cnc(-c3nnn[n-]3)cn2)CCCCC1 ZINC001575223879 948770424 /nfs/dbraw/zinc/77/04/24/948770424.db2.gz HLYCOOMTWIDSSO-UHFFFAOYSA-N -1 1 380.403 1.933 20 0 GDADMM CC(F)(F)CC(=O)NC1(CNc2cnc(-c3nn[n-]n3)cn2)CCCCC1 ZINC001575223879 948770435 /nfs/dbraw/zinc/77/04/35/948770435.db2.gz HLYCOOMTWIDSSO-UHFFFAOYSA-N -1 1 380.403 1.933 20 0 GDADMM CC(F)(F)CC(=O)N1C[C@@H]2CCC[C@]2(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001575223893 948772301 /nfs/dbraw/zinc/77/23/01/948772301.db2.gz IDYOGJCBHQRQJB-GTNSWQLSSA-N -1 1 392.414 1.743 20 0 GDADMM CC(F)(F)CC(=O)N1C[C@@H]2CCC[C@]2(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001575223893 948772314 /nfs/dbraw/zinc/77/23/14/948772314.db2.gz IDYOGJCBHQRQJB-GTNSWQLSSA-N -1 1 392.414 1.743 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575223961 948773786 /nfs/dbraw/zinc/77/37/86/948773786.db2.gz QULAAPKBLOMRNO-JTQLQIEISA-N -1 1 378.387 1.177 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575223961 948773801 /nfs/dbraw/zinc/77/38/01/948773801.db2.gz QULAAPKBLOMRNO-JTQLQIEISA-N -1 1 378.387 1.177 20 0 GDADMM CC(F)(F)CC(=O)NC1(CNc2nccnc2-c2nnn[n-]2)CCCCC1 ZINC001575223910 948773840 /nfs/dbraw/zinc/77/38/40/948773840.db2.gz ISOOWJDZPKKVQT-UHFFFAOYSA-N -1 1 380.403 1.933 20 0 GDADMM CC(F)(F)CC(=O)NC1(CNc2nccnc2-c2nn[n-]n2)CCCCC1 ZINC001575223910 948773859 /nfs/dbraw/zinc/77/38/59/948773859.db2.gz ISOOWJDZPKKVQT-UHFFFAOYSA-N -1 1 380.403 1.933 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2 ZINC001575223901 948775497 /nfs/dbraw/zinc/77/54/97/948775497.db2.gz IKZDJAMDCBLIGG-GHMZBOCLSA-N -1 1 378.387 1.541 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2 ZINC001575223901 948775513 /nfs/dbraw/zinc/77/55/13/948775513.db2.gz IKZDJAMDCBLIGG-GHMZBOCLSA-N -1 1 378.387 1.541 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001575224320 948781040 /nfs/dbraw/zinc/78/10/40/948781040.db2.gz TXDUGLYIXATZRI-LLVKDONJSA-N -1 1 392.414 1.425 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001575224320 948781048 /nfs/dbraw/zinc/78/10/48/948781048.db2.gz TXDUGLYIXATZRI-LLVKDONJSA-N -1 1 392.414 1.425 20 0 GDADMM C[C@@H](C(=O)Nc1ccc(-c2ccccc2F)nn1)n1cnc(-c2nn[n-]n2)n1 ZINC001573755799 948783890 /nfs/dbraw/zinc/78/38/90/948783890.db2.gz IPDWEHYEDKXIEL-VIFPVBQESA-N -1 1 380.347 1.254 20 0 GDADMM CC(F)(F)C1(C(=O)NCC[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575224738 948792446 /nfs/dbraw/zinc/79/24/46/948792446.db2.gz YFBOAQQFDIJYTE-NSHDSACASA-N -1 1 392.414 1.425 20 0 GDADMM CC(F)(F)CC(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C1CCCC1 ZINC001575225095 948799573 /nfs/dbraw/zinc/79/95/73/948799573.db2.gz WGHJLHILRNYUDO-LLVKDONJSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CC(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C1CCCC1 ZINC001575225095 948799588 /nfs/dbraw/zinc/79/95/88/948799588.db2.gz WGHJLHILRNYUDO-LLVKDONJSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575225489 948805452 /nfs/dbraw/zinc/80/54/52/948805452.db2.gz DGIAIVKYXGLQOD-MXWKQRLJSA-N -1 1 390.398 1.318 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cc1cc(F)ccc1F ZINC001574680942 948815495 /nfs/dbraw/zinc/81/54/95/948815495.db2.gz KMVPAJKBLPKJIF-SNVBAGLBSA-N -1 1 388.382 1.484 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cc1cc(F)ccc1F ZINC001574680942 948815507 /nfs/dbraw/zinc/81/55/07/948815507.db2.gz KMVPAJKBLPKJIF-SNVBAGLBSA-N -1 1 388.382 1.484 20 0 GDADMM C[C@H](CNC(=O)CCc1cn[nH]c1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574917331 948816803 /nfs/dbraw/zinc/81/68/03/948816803.db2.gz WQNALZMBDRFMIW-SSDOTTSWSA-N -1 1 381.853 1.249 20 0 GDADMM C[C@H](CNC(=O)CCc1cn[nH]c1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574917331 948816827 /nfs/dbraw/zinc/81/68/27/948816827.db2.gz WQNALZMBDRFMIW-SSDOTTSWSA-N -1 1 381.853 1.249 20 0 GDADMM CC(C)[C@@H](F)C(=O)NC[C@]12CCC[C@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001574081136 948817086 /nfs/dbraw/zinc/81/70/86/948817086.db2.gz QSUYKKMOUBFPPG-RVZJWNSFSA-N -1 1 388.451 1.516 20 0 GDADMM CC(C)c1cc(C(=O)N[C@H](C)CCNc2cncc(-c3nnn[n-]3)n2)n(C)n1 ZINC001574681835 948821269 /nfs/dbraw/zinc/82/12/69/948821269.db2.gz OHFCRCWVVXEGIF-LLVKDONJSA-N -1 1 384.448 1.134 20 0 GDADMM CC(C)c1cc(C(=O)N[C@H](C)CCNc2cncc(-c3nn[n-]n3)n2)n(C)n1 ZINC001574681835 948821282 /nfs/dbraw/zinc/82/12/82/948821282.db2.gz OHFCRCWVVXEGIF-LLVKDONJSA-N -1 1 384.448 1.134 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@H]2[C@@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001575227049 948824387 /nfs/dbraw/zinc/82/43/87/948824387.db2.gz RJWUCKHJEMCWRI-RYUDHWBXSA-N -1 1 378.387 1.272 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@H]2[C@@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001575227049 948824412 /nfs/dbraw/zinc/82/44/12/948824412.db2.gz RJWUCKHJEMCWRI-RYUDHWBXSA-N -1 1 378.387 1.272 20 0 GDADMM C[C@@H](C(=O)Nc1ccc(N(C)C(=O)C2CC2)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001573757295 948834655 /nfs/dbraw/zinc/83/46/55/948834655.db2.gz ZPCAOPICGXTCKM-JTQLQIEISA-N -1 1 381.400 1.031 20 0 GDADMM C[C@@H](CNC(=O)CCCc1ccccc1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574918183 948838432 /nfs/dbraw/zinc/83/84/32/948838432.db2.gz GYFKMSWAMZKVIV-CQSZACIVSA-N -1 1 380.456 1.844 20 0 GDADMM C[C@@H](CNC(=O)CCCc1ccccc1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574918183 948838451 /nfs/dbraw/zinc/83/84/51/948838451.db2.gz GYFKMSWAMZKVIV-CQSZACIVSA-N -1 1 380.456 1.844 20 0 GDADMM CC(C)c1ccsc1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574424110 948842062 /nfs/dbraw/zinc/84/20/62/948842062.db2.gz FJWFZQANHOMQMG-NSHDSACASA-N -1 1 384.469 1.850 20 0 GDADMM CC(C)c1ccsc1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574424110 948842083 /nfs/dbraw/zinc/84/20/83/948842083.db2.gz FJWFZQANHOMQMG-NSHDSACASA-N -1 1 384.469 1.850 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ocnc1C(F)F ZINC001574683332 948848873 /nfs/dbraw/zinc/84/88/73/948848873.db2.gz XVMGDBCTQYVZJE-SSDOTTSWSA-N -1 1 379.331 1.203 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ocnc1C(F)F ZINC001574683332 948848887 /nfs/dbraw/zinc/84/88/87/948848887.db2.gz XVMGDBCTQYVZJE-SSDOTTSWSA-N -1 1 379.331 1.203 20 0 GDADMM CC(C)c1ccsc1C(=O)NC[C@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574424496 948852040 /nfs/dbraw/zinc/85/20/40/948852040.db2.gz NOKKWFPCRQEALN-SNVBAGLBSA-N -1 1 388.457 1.044 20 0 GDADMM CC(C)c1ccsc1C(=O)NC[C@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574424496 948852065 /nfs/dbraw/zinc/85/20/65/948852065.db2.gz NOKKWFPCRQEALN-SNVBAGLBSA-N -1 1 388.457 1.044 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)Cc1cc[nH]n1 ZINC001574684034 948854681 /nfs/dbraw/zinc/85/46/81/948854681.db2.gz AKHDJGKRHLKKQW-SSDOTTSWSA-N -1 1 381.853 1.249 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)Cc1cc[nH]n1 ZINC001574684034 948854695 /nfs/dbraw/zinc/85/46/95/948854695.db2.gz AKHDJGKRHLKKQW-SSDOTTSWSA-N -1 1 381.853 1.249 20 0 GDADMM C[C@@H](CNC(=O)CCCc1cccnc1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574918986 948862398 /nfs/dbraw/zinc/86/23/98/948862398.db2.gz SRWDSIRRMYIIBQ-ZDUSSCGKSA-N -1 1 381.444 1.016 20 0 GDADMM C[C@@H](CNC(=O)CCCc1cccnc1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574918986 948862409 /nfs/dbraw/zinc/86/24/09/948862409.db2.gz SRWDSIRRMYIIBQ-ZDUSSCGKSA-N -1 1 381.444 1.016 20 0 GDADMM CC(F)(F)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001575233466 948881293 /nfs/dbraw/zinc/88/12/93/948881293.db2.gz IUQHVRKKFYLZQB-DCAQKATOSA-N -1 1 378.387 1.176 20 0 GDADMM CC(F)(F)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001575233466 948881311 /nfs/dbraw/zinc/88/13/11/948881311.db2.gz IUQHVRKKFYLZQB-DCAQKATOSA-N -1 1 378.387 1.176 20 0 GDADMM CC(C)c1nc(C(=O)NCC2(Nc3ccnc(-c4nn[n-]n4)n3)CC2)cs1 ZINC001574426884 948891311 /nfs/dbraw/zinc/89/13/11/948891311.db2.gz VLVBFEMPPAHXEM-UHFFFAOYSA-N -1 1 385.457 1.033 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cccnc1 ZINC001573764685 948895624 /nfs/dbraw/zinc/89/56/24/948895624.db2.gz QIJSUPGRMXRGAK-ZDUSSCGKSA-N -1 1 379.428 1.042 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573764685 948895637 /nfs/dbraw/zinc/89/56/37/948895637.db2.gz QIJSUPGRMXRGAK-ZDUSSCGKSA-N -1 1 379.428 1.042 20 0 GDADMM CC(C)c1ncc(C(=O)N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)s1 ZINC001574427328 948903798 /nfs/dbraw/zinc/90/37/98/948903798.db2.gz CLCLBOJAWIXINI-UHFFFAOYSA-N -1 1 385.457 1.199 20 0 GDADMM CC(C)c1ncc(C(=O)N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)s1 ZINC001574427328 948903806 /nfs/dbraw/zinc/90/38/06/948903806.db2.gz CLCLBOJAWIXINI-UHFFFAOYSA-N -1 1 385.457 1.199 20 0 GDADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001574088235 948912762 /nfs/dbraw/zinc/91/27/62/948912762.db2.gz DWSOJSJGNYDNMX-ZYKCCNLVSA-N -1 1 382.472 1.519 20 0 GDADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001574088235 948912772 /nfs/dbraw/zinc/91/27/72/948912772.db2.gz DWSOJSJGNYDNMX-ZYKCCNLVSA-N -1 1 382.472 1.519 20 0 GDADMM CC(C)c1ncncc1C(=O)N(C)[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574431871 948927248 /nfs/dbraw/zinc/92/72/48/948927248.db2.gz DAISLHLAXNUOIL-LLVKDONJSA-N -1 1 382.432 1.143 20 0 GDADMM CC(C)c1ncncc1C(=O)N(C)[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574431871 948927260 /nfs/dbraw/zinc/92/72/60/948927260.db2.gz DAISLHLAXNUOIL-LLVKDONJSA-N -1 1 382.432 1.143 20 0 GDADMM CC(F)(F)CCC(=O)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575235862 948929266 /nfs/dbraw/zinc/92/92/66/948929266.db2.gz RXQGLMYFGIBJPW-NSHDSACASA-N -1 1 380.403 1.885 20 0 GDADMM CC(F)(F)CCC(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575235862 948929275 /nfs/dbraw/zinc/92/92/75/948929275.db2.gz RXQGLMYFGIBJPW-NSHDSACASA-N -1 1 380.403 1.885 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)NC1(CNc2ccc(-c3nnn[n-]3)nn2)CCOCC1 ZINC001574088620 948930870 /nfs/dbraw/zinc/93/08/70/948930870.db2.gz BQPHFTBQBXIJNO-OLZOCXBDSA-N -1 1 386.460 1.026 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)NC1(CNc2ccc(-c3nn[n-]n3)nn2)CCOCC1 ZINC001574088620 948930882 /nfs/dbraw/zinc/93/08/82/948930882.db2.gz BQPHFTBQBXIJNO-OLZOCXBDSA-N -1 1 386.460 1.026 20 0 GDADMM CC(F)(F)CCC(=O)N[C@]12CCC[C@@H]1N(c1nccnc1-c1nnn[n-]1)CC2 ZINC001575235958 948931806 /nfs/dbraw/zinc/93/18/06/948931806.db2.gz SYDWSJZXUBPWCT-GTNSWQLSSA-N -1 1 392.414 1.710 20 0 GDADMM CC(F)(F)CCC(=O)N[C@]12CCC[C@@H]1N(c1nccnc1-c1nn[n-]n1)CC2 ZINC001575235958 948931811 /nfs/dbraw/zinc/93/18/11/948931811.db2.gz SYDWSJZXUBPWCT-GTNSWQLSSA-N -1 1 392.414 1.710 20 0 GDADMM CC(C)(C(=O)N[C@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C(F)F ZINC001573771051 948932114 /nfs/dbraw/zinc/93/21/14/948932114.db2.gz AJKCDXSVCWFSJZ-UWVGGRQHSA-N -1 1 380.403 1.067 20 0 GDADMM CC(C)(C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001573771234 948936133 /nfs/dbraw/zinc/93/61/33/948936133.db2.gz DEBRWIDVLGWGSW-AGUYFDCRSA-N -1 1 382.472 1.709 20 0 GDADMM CC(C)(C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001573771234 948936142 /nfs/dbraw/zinc/93/61/42/948936142.db2.gz DEBRWIDVLGWGSW-AGUYFDCRSA-N -1 1 382.472 1.709 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CN(c2nccnc2-c2nnn[n-]2)CC1(C)C ZINC001575236839 948939664 /nfs/dbraw/zinc/93/96/64/948939664.db2.gz AEAYMEHDDUYJRD-JTQLQIEISA-N -1 1 380.403 1.423 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CN(c2nccnc2-c2nn[n-]n2)CC1(C)C ZINC001575236839 948939676 /nfs/dbraw/zinc/93/96/76/948939676.db2.gz AEAYMEHDDUYJRD-JTQLQIEISA-N -1 1 380.403 1.423 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccccc1 ZINC001573771722 948947100 /nfs/dbraw/zinc/94/71/00/948947100.db2.gz LWVMJWSUCVWBGI-HNNXBMFYSA-N -1 1 392.467 1.720 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccccc1 ZINC001573771722 948947111 /nfs/dbraw/zinc/94/71/11/948947111.db2.gz LWVMJWSUCVWBGI-HNNXBMFYSA-N -1 1 392.467 1.720 20 0 GDADMM CC(F)(F)CCC(=O)NCC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001575239501 948960723 /nfs/dbraw/zinc/96/07/23/948960723.db2.gz SVNAXEGLGCEIQL-UHFFFAOYSA-N -1 1 380.403 1.425 20 0 GDADMM CC(F)(F)CCC(=O)NCC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001575239501 948960731 /nfs/dbraw/zinc/96/07/31/948960731.db2.gz SVNAXEGLGCEIQL-UHFFFAOYSA-N -1 1 380.403 1.425 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575239882 948966161 /nfs/dbraw/zinc/96/61/61/948966161.db2.gz XJAPFYZJMWCPDL-MNOVXSKESA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575239882 948966170 /nfs/dbraw/zinc/96/61/70/948966170.db2.gz XJAPFYZJMWCPDL-MNOVXSKESA-N -1 1 380.403 1.789 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574433836 948967251 /nfs/dbraw/zinc/96/72/51/948967251.db2.gz SAYIEMNSOOJVOP-JTQLQIEISA-N -1 1 385.457 1.245 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@H](C)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574433841 948968069 /nfs/dbraw/zinc/96/80/69/948968069.db2.gz SBLDPWLBHAQIMG-VHSXEESVSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@H](C)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574433841 948968081 /nfs/dbraw/zinc/96/80/81/948968081.db2.gz SBLDPWLBHAQIMG-VHSXEESVSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)NC1CC2(C1)CC(Nc1nccnc1-c1nnn[n-]1)C2 ZINC001574090544 948989881 /nfs/dbraw/zinc/98/98/81/948989881.db2.gz LFJLRTWRRQNUSY-SBDXJAJFSA-N -1 1 382.472 1.788 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)NC1CC2(C1)CC(Nc1nccnc1-c1nn[n-]n1)C2 ZINC001574090544 948989893 /nfs/dbraw/zinc/98/98/93/948989893.db2.gz LFJLRTWRRQNUSY-SBDXJAJFSA-N -1 1 382.472 1.788 20 0 GDADMM CC(C)(C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CC1)[C@@H]1CCCCO1 ZINC001573774589 949016127 /nfs/dbraw/zinc/01/61/27/949016127.db2.gz OICARESIQRGTKZ-ZDUSSCGKSA-N -1 1 386.460 1.313 20 0 GDADMM CC(C)(C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CC1)[C@@H]1CCCCO1 ZINC001573774589 949016144 /nfs/dbraw/zinc/01/61/44/949016144.db2.gz OICARESIQRGTKZ-ZDUSSCGKSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H](C)c1ccccc1F ZINC001574691403 949021480 /nfs/dbraw/zinc/02/14/80/949021480.db2.gz XIBRIHAWFGLZGJ-VXGBXAGGSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H](C)c1ccccc1F ZINC001574691403 949021492 /nfs/dbraw/zinc/02/14/92/949021492.db2.gz XIBRIHAWFGLZGJ-VXGBXAGGSA-N -1 1 384.419 1.906 20 0 GDADMM CC(C)(C(=O)NC[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1)C(F)(F)F ZINC001573774997 949025591 /nfs/dbraw/zinc/02/55/91/949025591.db2.gz RDAPVXZWOICGPJ-VIFPVBQESA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)(C(=O)NC[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1)C(F)(F)F ZINC001573774997 949025609 /nfs/dbraw/zinc/02/56/09/949025609.db2.gz RDAPVXZWOICGPJ-VIFPVBQESA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)Cc1cccnc1 ZINC001574693224 949050393 /nfs/dbraw/zinc/05/03/93/949050393.db2.gz CTJMGWXBGGKBQL-VIFPVBQESA-N -1 1 392.876 1.921 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)Cc1cccnc1 ZINC001574693224 949050413 /nfs/dbraw/zinc/05/04/13/949050413.db2.gz CTJMGWXBGGKBQL-VIFPVBQESA-N -1 1 392.876 1.921 20 0 GDADMM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)c1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001575503878 949052222 /nfs/dbraw/zinc/05/22/22/949052222.db2.gz MXJZXGHQJMHZCH-UWVGGRQHSA-N -1 1 389.847 1.536 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)NC1CC2(C1)CC(Nc1ccnc(-c3nn[n-]n3)n1)C2 ZINC001574092887 949085513 /nfs/dbraw/zinc/08/55/13/949085513.db2.gz UWKIZJNDYPIHFJ-SPKCYCRISA-N -1 1 382.472 1.210 20 0 GDADMM C[C@H](NC(=O)C1(C(F)F)CC1)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575249050 949089302 /nfs/dbraw/zinc/08/93/02/949089302.db2.gz AWYFSOUNVPPTEO-QWRGUYRKSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@H](NC(=O)C1(C(F)F)CC1)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575249050 949089320 /nfs/dbraw/zinc/08/93/20/949089320.db2.gz AWYFSOUNVPPTEO-QWRGUYRKSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@H](NC(=O)C(C)(C)c1cccnc1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575249954 949105384 /nfs/dbraw/zinc/10/53/84/949105384.db2.gz CKFQXZONKUKKMD-RYUDHWBXSA-N -1 1 381.444 1.335 20 0 GDADMM C[C@H](NC(=O)C(C)(C)c1cccnc1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575249954 949105372 /nfs/dbraw/zinc/10/53/72/949105372.db2.gz CKFQXZONKUKKMD-RYUDHWBXSA-N -1 1 381.444 1.335 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccc(C(F)F)nc1 ZINC001574695924 949119513 /nfs/dbraw/zinc/11/95/13/949119513.db2.gz KSYJHTKJDWEUPZ-VIFPVBQESA-N -1 1 389.370 1.610 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccc(C(F)F)nc1 ZINC001574695924 949119520 /nfs/dbraw/zinc/11/95/20/949119520.db2.gz KSYJHTKJDWEUPZ-VIFPVBQESA-N -1 1 389.370 1.610 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1coc(C2CCC2)n1 ZINC001574696443 949132015 /nfs/dbraw/zinc/13/20/15/949132015.db2.gz QRBOEPQETZHBNE-SNVBAGLBSA-N -1 1 383.416 1.533 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1coc(C2CCC2)n1 ZINC001574696443 949132029 /nfs/dbraw/zinc/13/20/29/949132029.db2.gz QRBOEPQETZHBNE-SNVBAGLBSA-N -1 1 383.416 1.533 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)NCc1ccc(CNc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001574094236 949134489 /nfs/dbraw/zinc/13/44/89/949134489.db2.gz YGTGKWNZPIIUON-HZPDHXFCSA-N -1 1 392.467 1.599 20 0 GDADMM CC(C)c1occc1C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574446656 949136964 /nfs/dbraw/zinc/13/69/64/949136964.db2.gz VGFQDUMIAXHAKU-GFCCVEGCSA-N -1 1 382.428 1.629 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)Cc1c(F)cccc1F ZINC001574696624 949139634 /nfs/dbraw/zinc/13/96/34/949139634.db2.gz SNEAACVCKDVTMZ-JTQLQIEISA-N -1 1 388.382 1.484 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)Cc1c(F)cccc1F ZINC001574696624 949139639 /nfs/dbraw/zinc/13/96/39/949139639.db2.gz SNEAACVCKDVTMZ-JTQLQIEISA-N -1 1 388.382 1.484 20 0 GDADMM CC(C)c1ocnc1C(=O)N1C[C@H](C)[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574446803 949140048 /nfs/dbraw/zinc/14/00/48/949140048.db2.gz WTTCEXSRLSKZAY-WDEREUQCSA-N -1 1 383.416 1.341 20 0 GDADMM CC(C)c1ocnc1C(=O)N1C[C@H](C)[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574446803 949140062 /nfs/dbraw/zinc/14/00/62/949140062.db2.gz WTTCEXSRLSKZAY-WDEREUQCSA-N -1 1 383.416 1.341 20 0 GDADMM C[C@H](NC(=O)C1(c2ccccc2)CC1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575251796 949147726 /nfs/dbraw/zinc/14/77/26/949147726.db2.gz CULYSIHDMYKDKO-STQMWFEESA-N -1 1 378.440 1.694 20 0 GDADMM C[C@H](NC(=O)C1(c2ccccc2)CC1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575251796 949147708 /nfs/dbraw/zinc/14/77/08/949147708.db2.gz CULYSIHDMYKDKO-STQMWFEESA-N -1 1 378.440 1.694 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)C1=COCCC1 ZINC001574697168 949151691 /nfs/dbraw/zinc/15/16/91/949151691.db2.gz ZKACNTKGVSRFNN-MRVPVSSYSA-N -1 1 383.865 1.978 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)C1=COCCC1 ZINC001574697168 949151708 /nfs/dbraw/zinc/15/17/08/949151708.db2.gz ZKACNTKGVSRFNN-MRVPVSSYSA-N -1 1 383.865 1.978 20 0 GDADMM CC(C)c1ocnc1C(=O)NCC1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574447344 949159254 /nfs/dbraw/zinc/15/92/54/949159254.db2.gz MKUSOLINRBALFH-UHFFFAOYSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1ocnc1C(=O)NCC1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574447344 949159272 /nfs/dbraw/zinc/15/92/72/949159272.db2.gz MKUSOLINRBALFH-UHFFFAOYSA-N -1 1 383.416 1.389 20 0 GDADMM C[C@@H](c1ccccc1)[N@@H+]1CCO[C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575514190 949163471 /nfs/dbraw/zinc/16/34/71/949163471.db2.gz BKMVUHQSIDTTNL-XJKSGUPXSA-N -1 1 381.440 1.387 20 0 GDADMM C[C@@H](c1ccccc1)[N@H+]1CCO[C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575514190 949163488 /nfs/dbraw/zinc/16/34/88/949163488.db2.gz BKMVUHQSIDTTNL-XJKSGUPXSA-N -1 1 381.440 1.387 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1)C1CCC1 ZINC001573787183 949167468 /nfs/dbraw/zinc/16/74/68/949167468.db2.gz OLTLUYVKFRTNJE-RDBSUJKOSA-N -1 1 382.472 1.709 20 0 GDADMM CC(C)c1ocnc1C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574447658 949169931 /nfs/dbraw/zinc/16/99/31/949169931.db2.gz WDWATKSSJYIJCK-LLVKDONJSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1ocnc1C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574447658 949169953 /nfs/dbraw/zinc/16/99/53/949169953.db2.gz WDWATKSSJYIJCK-LLVKDONJSA-N -1 1 383.416 1.167 20 0 GDADMM C[C@@H](CNC(=O)COc1ccccc1F)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574934696 949174990 /nfs/dbraw/zinc/17/49/90/949174990.db2.gz OOQPPPTVVZNJSD-LLVKDONJSA-N -1 1 386.391 1.039 20 0 GDADMM C[C@@H](CNC(=O)COc1ccccc1F)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574934696 949175007 /nfs/dbraw/zinc/17/50/07/949175007.db2.gz OOQPPPTVVZNJSD-LLVKDONJSA-N -1 1 386.391 1.039 20 0 GDADMM CC(C)[C@@H]1N(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CC12CCCCCC2 ZINC001574099536 949179625 /nfs/dbraw/zinc/17/96/25/949179625.db2.gz MDSJLQOHKBYMTC-AWEZNQCLSA-N -1 1 387.488 1.449 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(F)cc1F)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574936834 949219699 /nfs/dbraw/zinc/21/96/99/949219699.db2.gz LJLNMMLPCPPLHX-SNVBAGLBSA-N -1 1 388.382 1.342 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(F)cc1F)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574936834 949219720 /nfs/dbraw/zinc/21/97/20/949219720.db2.gz LJLNMMLPCPPLHX-SNVBAGLBSA-N -1 1 388.382 1.342 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574451191 949221083 /nfs/dbraw/zinc/22/10/83/949221083.db2.gz GMTBHOXYOLYVDQ-SNVBAGLBSA-N -1 1 385.457 1.245 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574451191 949221108 /nfs/dbraw/zinc/22/11/08/949221108.db2.gz GMTBHOXYOLYVDQ-SNVBAGLBSA-N -1 1 385.457 1.245 20 0 GDADMM CC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)c2ccoc2Cl)CC1 ZINC001575853980 949222233 /nfs/dbraw/zinc/22/22/33/949222233.db2.gz PPWDTKQJBUKVRC-UHFFFAOYSA-N -1 1 388.819 1.432 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C(C)C ZINC001574451244 949222273 /nfs/dbraw/zinc/22/22/73/949222273.db2.gz ICEJHFFCEUXVGU-GFCCVEGCSA-N -1 1 385.432 1.635 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C(C)C ZINC001574451244 949222292 /nfs/dbraw/zinc/22/22/92/949222292.db2.gz ICEJHFFCEUXVGU-GFCCVEGCSA-N -1 1 385.432 1.635 20 0 GDADMM CC(C)CC(=O)N1CCC([C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001574103139 949229172 /nfs/dbraw/zinc/22/91/72/949229172.db2.gz LJSVDFPYSBMWRV-OAHLLOKOSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)CC(=O)N1CCC([C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001574103139 949229188 /nfs/dbraw/zinc/22/91/88/949229188.db2.gz LJSVDFPYSBMWRV-OAHLLOKOSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)(C)C(=O)N1CCC([C@@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573792092 949234366 /nfs/dbraw/zinc/23/43/66/949234366.db2.gz KAWYXRBQYHNIBT-AWEZNQCLSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](CNC(=O)Cc1c[nH]c2ccccc12)Nc1nccnc1-c1nnn[n-]1 ZINC001574938392 949240107 /nfs/dbraw/zinc/24/01/07/949240107.db2.gz UWAQASABEOCXMX-LLVKDONJSA-N -1 1 377.412 1.297 20 0 GDADMM C[C@H](CNC(=O)Cc1c[nH]c2ccccc12)Nc1nccnc1-c1nn[n-]n1 ZINC001574938392 949240126 /nfs/dbraw/zinc/24/01/26/949240126.db2.gz UWAQASABEOCXMX-LLVKDONJSA-N -1 1 377.412 1.297 20 0 GDADMM CC(C)(C)C(=O)N1CCC[C@@H](C(=O)NCc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573792341 949243258 /nfs/dbraw/zinc/24/32/58/949243258.db2.gz OESJRSVZRHAKRV-LLVKDONJSA-N -1 1 376.486 1.829 20 0 GDADMM CC(C)CC(=O)N1CCC([C@@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574103377 949244018 /nfs/dbraw/zinc/24/40/18/949244018.db2.gz RHARDIBBURKGPT-INIZCTEOSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CC(=O)N1CCC([C@@H]2CCCN2c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574103377 949244027 /nfs/dbraw/zinc/24/40/27/949244027.db2.gz RHARDIBBURKGPT-INIZCTEOSA-N -1 1 384.488 1.910 20 0 GDADMM CC1(c2ccccc2C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001575855957 949245283 /nfs/dbraw/zinc/24/52/83/949245283.db2.gz BWWPWUTVQCZFME-ZDUSSCGKSA-N -1 1 390.451 1.717 20 0 GDADMM CC1(c2ccccc2C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001575855957 949245304 /nfs/dbraw/zinc/24/53/04/949245304.db2.gz BWWPWUTVQCZFME-ZDUSSCGKSA-N -1 1 390.451 1.717 20 0 GDADMM C[C@H](NC(=O)C1(C)CCCC1)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575256130 949245995 /nfs/dbraw/zinc/24/59/95/949245995.db2.gz SUIVBAPNSHKOIB-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](NC(=O)C1(C)CCCC1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575256130 949246015 /nfs/dbraw/zinc/24/60/15/949246015.db2.gz SUIVBAPNSHKOIB-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](NC(=O)C1(CCF)CC1)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575256229 949246911 /nfs/dbraw/zinc/24/69/11/949246911.db2.gz UJMLPYGJQVABEJ-OLZOCXBDSA-N -1 1 388.451 1.518 20 0 GDADMM C[C@@H](NC(=O)C1(CCF)CC1)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575256229 949246934 /nfs/dbraw/zinc/24/69/34/949246934.db2.gz UJMLPYGJQVABEJ-OLZOCXBDSA-N -1 1 388.451 1.518 20 0 GDADMM C[C@@]1(c2cccc(NC(=O)Cc3ccc(-c4nnn[n-]4)nc3)c2)COC(=O)N1 ZINC001575856987 949260101 /nfs/dbraw/zinc/26/01/01/949260101.db2.gz LWSQKDNONNAGIV-SFHVURJKSA-N -1 1 379.380 1.398 20 0 GDADMM C[C@@]1(c2cccc(NC(=O)Cc3ccc(-c4nn[n-]n4)nc3)c2)COC(=O)N1 ZINC001575856987 949260121 /nfs/dbraw/zinc/26/01/21/949260121.db2.gz LWSQKDNONNAGIV-SFHVURJKSA-N -1 1 379.380 1.398 20 0 GDADMM CC(C)(C)C(=O)N1CCC([C@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573792705 949264457 /nfs/dbraw/zinc/26/44/57/949264457.db2.gz TZAFZUWBLKKSHO-OAHLLOKOSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)(C)C(=O)N1CCC([C@H]2CCCN2c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573792705 949264478 /nfs/dbraw/zinc/26/44/78/949264478.db2.gz TZAFZUWBLKKSHO-OAHLLOKOSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(C(F)F)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574940636 949275394 /nfs/dbraw/zinc/27/53/94/949275394.db2.gz HUXVSLAXZYNRAG-JTQLQIEISA-N -1 1 388.382 1.754 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(C(F)F)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574940636 949275412 /nfs/dbraw/zinc/27/54/12/949275412.db2.gz HUXVSLAXZYNRAG-JTQLQIEISA-N -1 1 388.382 1.754 20 0 GDADMM C[C@H](CN(C)C(=O)C1(C(F)F)CCCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574702395 949279406 /nfs/dbraw/zinc/27/94/06/949279406.db2.gz IGVIRTPZGXUXED-SNVBAGLBSA-N -1 1 380.403 1.163 20 0 GDADMM C[C@H](NC(=O)C1=COCCO1)[C@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001575258049 949287486 /nfs/dbraw/zinc/28/74/86/949287486.db2.gz DJPYRMROCXAHTN-BQBZGAKWSA-N -1 1 385.837 1.170 20 0 GDADMM C[C@H](NC(=O)C1=COCCO1)[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575258049 949287495 /nfs/dbraw/zinc/28/74/95/949287495.db2.gz DJPYRMROCXAHTN-BQBZGAKWSA-N -1 1 385.837 1.170 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(Cl)c1F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574941204 949293515 /nfs/dbraw/zinc/29/35/15/949293515.db2.gz PHRKRYYFVLAWKQ-VIFPVBQESA-N -1 1 390.810 1.609 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(Cl)c1F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574941204 949293533 /nfs/dbraw/zinc/29/35/33/949293533.db2.gz PHRKRYYFVLAWKQ-VIFPVBQESA-N -1 1 390.810 1.609 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc2c(c1)CCCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574941231 949298078 /nfs/dbraw/zinc/29/80/78/949298078.db2.gz PRFPIAHSMGBJOU-CYBMUJFWSA-N -1 1 392.467 1.117 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cocn1 ZINC001576154105 949318129 /nfs/dbraw/zinc/31/81/29/949318129.db2.gz BZXLAIPCWXOMFC-GTNSWQLSSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cocn1 ZINC001576154105 949318151 /nfs/dbraw/zinc/31/81/51/949318151.db2.gz BZXLAIPCWXOMFC-GTNSWQLSSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc2c(c1)CCCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574942147 949339370 /nfs/dbraw/zinc/33/93/70/949339370.db2.gz WMHMNCSJIHSIPP-CYBMUJFWSA-N -1 1 392.467 1.695 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc2c(c1)CCCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574942147 949339388 /nfs/dbraw/zinc/33/93/88/949339388.db2.gz WMHMNCSJIHSIPP-CYBMUJFWSA-N -1 1 392.467 1.695 20 0 GDADMM C[C@H](NC(=O)C1=CCOCC1)[C@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001575260074 949341243 /nfs/dbraw/zinc/34/12/43/949341243.db2.gz UFFKKLSACQKCFR-YUMQZZPRSA-N -1 1 383.865 1.628 20 0 GDADMM C[C@H](NC(=O)C1=CCOCC1)[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575260074 949341264 /nfs/dbraw/zinc/34/12/64/949341264.db2.gz UFFKKLSACQKCFR-YUMQZZPRSA-N -1 1 383.865 1.628 20 0 GDADMM C[C@H](NC(=O)C1CCC(F)(F)CC1)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575259924 949343586 /nfs/dbraw/zinc/34/35/86/949343586.db2.gz SLQOBMZVDNAOEN-UWVGGRQHSA-N -1 1 380.403 1.209 20 0 GDADMM C[C@H](NC(=O)C1CC(C)(C)C1)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575260899 949368471 /nfs/dbraw/zinc/36/84/71/949368471.db2.gz YJCMINACZQMWNK-STQMWFEESA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H]1CCC[C@@H](C(=O)N2CCC(CNc3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001576154927 949369862 /nfs/dbraw/zinc/36/98/62/949369862.db2.gz RPWVGBMDZZZJQJ-DZGCQCFKSA-N -1 1 384.488 1.555 20 0 GDADMM C[C@H]1CCC[C@]1(C)C(=O)N(C)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576154907 949370674 /nfs/dbraw/zinc/37/06/74/949370674.db2.gz SFHVPAGIYWBKFJ-DJJJIMSYSA-N -1 1 384.488 1.910 20 0 GDADMM CC1(C)CN(C(=O)[C@@]2(C)CC=CCC2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575527949 949384412 /nfs/dbraw/zinc/38/44/12/949384412.db2.gz KEDABIQKVACUQF-YJYMSZOUSA-N -1 1 382.472 1.474 20 0 GDADMM CC1=CC[C@](C)(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001575865838 949386927 /nfs/dbraw/zinc/38/69/27/949386927.db2.gz MZVKAPRJJIKAGU-LIRRHRJNSA-N -1 1 382.472 1.878 20 0 GDADMM CC1=CC[C@](C)(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001575865838 949386950 /nfs/dbraw/zinc/38/69/50/949386950.db2.gz MZVKAPRJJIKAGU-LIRRHRJNSA-N -1 1 382.472 1.878 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001574463850 949388170 /nfs/dbraw/zinc/38/81/70/949388170.db2.gz CVKBJKZKWPNKRP-OLZOCXBDSA-N -1 1 381.444 1.436 20 0 GDADMM C[C@@H](NC(=O)CC(C)(F)F)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575263143 949390884 /nfs/dbraw/zinc/39/08/84/949390884.db2.gz FBKIXSQVKXYHSD-GHMZBOCLSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](NC(=O)CC(C)(F)F)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575263143 949390903 /nfs/dbraw/zinc/39/09/03/949390903.db2.gz FBKIXSQVKXYHSD-GHMZBOCLSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H]1CCC[C@@]1(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001576155280 949393712 /nfs/dbraw/zinc/39/37/12/949393712.db2.gz ULEIXKSTTCKETG-WZFJYNIESA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H]1CCC[C@@]1(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001576155280 949393736 /nfs/dbraw/zinc/39/37/36/949393736.db2.gz ULEIXKSTTCKETG-WZFJYNIESA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H]1CCC[C@]1(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001576155276 949396343 /nfs/dbraw/zinc/39/63/43/949396343.db2.gz ULEIXKSTTCKETG-PXWIGAEESA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H]1CCC[C@]1(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001576155276 949396366 /nfs/dbraw/zinc/39/63/66/949396366.db2.gz ULEIXKSTTCKETG-PXWIGAEESA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H]1C(=O)Nc2ccccc2CN1S(=O)(=O)c1ccc(-c2nnn[n-]2)s1 ZINC001575866183 949397014 /nfs/dbraw/zinc/39/70/14/949397014.db2.gz PWSTYTVLETXDST-SECBINFHSA-N -1 1 390.450 1.460 20 0 GDADMM C[C@@H]1C(=O)Nc2ccccc2CN1S(=O)(=O)c1ccc(-c2nn[n-]n2)s1 ZINC001575866183 949397035 /nfs/dbraw/zinc/39/70/35/949397035.db2.gz PWSTYTVLETXDST-SECBINFHSA-N -1 1 390.450 1.460 20 0 GDADMM C[C@H]1CCC[C@@H](OCC(=O)N[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001576155468 949405941 /nfs/dbraw/zinc/40/59/41/949405941.db2.gz UNGUMQWXPUFCGU-XDQVBPFNSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@H]1CCC[C@@H](OCC(=O)N[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001576155468 949405955 /nfs/dbraw/zinc/40/59/55/949405955.db2.gz UNGUMQWXPUFCGU-XDQVBPFNSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H](CN(C)C(=O)C1=COCCC1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574705122 949416001 /nfs/dbraw/zinc/41/60/01/949416001.db2.gz RLGPJTVNXVQRBU-QMMMGPOBSA-N -1 1 383.865 1.930 20 0 GDADMM C[C@@H](CN(C)C(=O)C1=COCCC1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574705122 949416013 /nfs/dbraw/zinc/41/60/13/949416013.db2.gz RLGPJTVNXVQRBU-QMMMGPOBSA-N -1 1 383.865 1.930 20 0 GDADMM CC1(C(=O)N2CCC(CNc3cncc(-c4nnn[n-]4)n3)CC2)CC(F)(F)C1 ZINC001575534796 949433562 /nfs/dbraw/zinc/43/35/62/949433562.db2.gz PMCLWTPPNLZPTK-UHFFFAOYSA-N -1 1 392.414 1.743 20 0 GDADMM CC1(C(=O)N2CCC(CNc3cncc(-c4nn[n-]n4)n3)CC2)CC(F)(F)C1 ZINC001575534796 949433578 /nfs/dbraw/zinc/43/35/78/949433578.db2.gz PMCLWTPPNLZPTK-UHFFFAOYSA-N -1 1 392.414 1.743 20 0 GDADMM CC(C)n1cccc1C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574465172 949433730 /nfs/dbraw/zinc/43/37/30/949433730.db2.gz RDJHTUZKUBQDPD-ZDUSSCGKSA-N -1 1 381.444 1.035 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C(C2CC2)C2CC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575867819 949448630 /nfs/dbraw/zinc/44/86/30/949448630.db2.gz KVZCXKZHRAKRRD-RISCZKNCSA-N -1 1 382.472 1.566 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C(C2CC2)C2CC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575867819 949448649 /nfs/dbraw/zinc/44/86/49/949448649.db2.gz KVZCXKZHRAKRRD-RISCZKNCSA-N -1 1 382.472 1.566 20 0 GDADMM C[C@@H](NC(=O)CCC1(C)CC1)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575265761 949455908 /nfs/dbraw/zinc/45/59/08/949455908.db2.gz AEUZGHPSNFZJAR-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](NC(=O)CCC1(C)CC1)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575265761 949455924 /nfs/dbraw/zinc/45/59/24/949455924.db2.gz AEUZGHPSNFZJAR-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C(C)(C)C2CCC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575868339 949456887 /nfs/dbraw/zinc/45/68/87/949456887.db2.gz NAXRYEKIURAZBS-JSGCOSHPSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C(C)(C)C2CCC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575868339 949456895 /nfs/dbraw/zinc/45/68/95/949456895.db2.gz NAXRYEKIURAZBS-JSGCOSHPSA-N -1 1 384.488 1.957 20 0 GDADMM CC(C)n1cnc(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001574469176 949472003 /nfs/dbraw/zinc/47/20/03/949472003.db2.gz YISAGDJCOVVUCB-HAQNSBGRSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cnc(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001574469176 949472008 /nfs/dbraw/zinc/47/20/08/949472008.db2.gz YISAGDJCOVVUCB-HAQNSBGRSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1CCCCO1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574707870 949481037 /nfs/dbraw/zinc/48/10/37/949481037.db2.gz RHVMBRPBXQRSDV-BDAKNGLRSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccon1 ZINC001576157469 949484089 /nfs/dbraw/zinc/48/40/89/949484089.db2.gz QVTIYGDHMJSTKQ-APPDUMDISA-N -1 1 383.416 1.436 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccon1 ZINC001576157469 949484106 /nfs/dbraw/zinc/48/41/06/949484106.db2.gz QVTIYGDHMJSTKQ-APPDUMDISA-N -1 1 383.416 1.436 20 0 GDADMM CC(C)(C)C(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573806953 949500275 /nfs/dbraw/zinc/50/02/75/949500275.db2.gz ZFNVMMGUZLQKEW-UKRRQHHQSA-N -1 1 378.440 1.319 20 0 GDADMM C[C@H]1CCCC[C@H]1C(=O)N(C)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001576158867 949504853 /nfs/dbraw/zinc/50/48/53/949504853.db2.gz VJGMCONXNYLJBK-DZGCQCFKSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CCCC[C@H]1C(=O)N(C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001576158867 949504863 /nfs/dbraw/zinc/50/48/63/949504863.db2.gz VJGMCONXNYLJBK-DZGCQCFKSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@]1(C(=O)N2CCC[C@@H](CCNc3cnc(-c4nnn[n-]4)cn3)C2)CCOC1 ZINC001575538827 949531290 /nfs/dbraw/zinc/53/12/90/949531290.db2.gz JOWTUKWGCUMWPS-UGSOOPFHSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@]1(C(=O)N2CCC[C@@H](CCNc3cnc(-c4nn[n-]n4)cn3)C2)CCOC1 ZINC001575538827 949531308 /nfs/dbraw/zinc/53/13/08/949531308.db2.gz JOWTUKWGCUMWPS-UGSOOPFHSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@H](CC(=O)N(C)C1CC(Nc2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001574471918 949542366 /nfs/dbraw/zinc/54/23/66/949542366.db2.gz PSPQCMSCYJQMHR-XNWIYYODSA-N -1 1 384.366 1.647 20 0 GDADMM C[C@H](CC(=O)N(C)C1CC(Nc2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574471918 949542386 /nfs/dbraw/zinc/54/23/86/949542386.db2.gz PSPQCMSCYJQMHR-XNWIYYODSA-N -1 1 384.366 1.647 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC2(O)CCC2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576163882 949544011 /nfs/dbraw/zinc/54/40/11/949544011.db2.gz DFPYGRONIFOOAQ-TZMCWYRMSA-N -1 1 386.460 1.001 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC2(O)CCC2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576163882 949544026 /nfs/dbraw/zinc/54/40/26/949544026.db2.gz DFPYGRONIFOOAQ-TZMCWYRMSA-N -1 1 386.460 1.001 20 0 GDADMM C[C@]1(C(=O)N2CCC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CCCOC1 ZINC001575539547 949553359 /nfs/dbraw/zinc/55/33/59/949553359.db2.gz QMAFLOVRXNKRPC-UGSOOPFHSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@]1(C(=O)N2CCC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CCCOC1 ZINC001575539547 949553378 /nfs/dbraw/zinc/55/33/78/949553378.db2.gz QMAFLOVRXNKRPC-UGSOOPFHSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@H]1CCCN(C(=O)CC(F)(F)F)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576164518 949555178 /nfs/dbraw/zinc/55/51/78/949555178.db2.gz GVQTUDSPOPNYMH-UWVGGRQHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H]1CCCN(C(=O)CC(F)(F)F)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576164518 949555184 /nfs/dbraw/zinc/55/51/84/949555184.db2.gz GVQTUDSPOPNYMH-UWVGGRQHSA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)C[C@H](C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1)n1ccnc1 ZINC001574124381 949571852 /nfs/dbraw/zinc/57/18/52/949571852.db2.gz FXLMWIZNLKFJTP-CQSZACIVSA-N -1 1 384.448 1.011 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001574475544 949574136 /nfs/dbraw/zinc/57/41/36/949574136.db2.gz BGEZBAZUWRQUEZ-VHSXEESVSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574475544 949574145 /nfs/dbraw/zinc/57/41/45/949574145.db2.gz BGEZBAZUWRQUEZ-VHSXEESVSA-N -1 1 384.366 1.282 20 0 GDADMM CC1(C(=O)N2CCC[C@H]3[C@H]2CCN3c2cncc(-c3nnn[n-]3)n2)CCCC1 ZINC001575544392 949582465 /nfs/dbraw/zinc/58/24/65/949582465.db2.gz CCOGRXRIPLOEEH-LSDHHAIUSA-N -1 1 382.472 1.807 20 0 GDADMM CC1(C(=O)N2CCC[C@H]3[C@H]2CCN3c2cncc(-c3nn[n-]n3)n2)CCCC1 ZINC001575544392 949582486 /nfs/dbraw/zinc/58/24/86/949582486.db2.gz CCOGRXRIPLOEEH-LSDHHAIUSA-N -1 1 382.472 1.807 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2CCCC2)[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576166657 949583317 /nfs/dbraw/zinc/58/33/17/949583317.db2.gz NFEOKCTUEYAIGD-HIFRSBDPSA-N -1 1 384.488 1.698 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1Cc2ccc(F)cc21)Nc1nccnc1-c1nnn[n-]1 ZINC001574712664 949586524 /nfs/dbraw/zinc/58/65/24/949586524.db2.gz SRYMNCDAJWOFMV-QMTHXVAHSA-N -1 1 382.403 1.395 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1Cc2ccc(F)cc21)Nc1nccnc1-c1nn[n-]n1 ZINC001574712664 949586545 /nfs/dbraw/zinc/58/65/45/949586545.db2.gz SRYMNCDAJWOFMV-QMTHXVAHSA-N -1 1 382.403 1.395 20 0 GDADMM C[C@H](CNC(=O)[C@H]1C[C@H]2C[C@H]2C1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574956725 949589352 /nfs/dbraw/zinc/58/93/52/949589352.db2.gz MMMMBYXJINCLEW-IMSYWVGJSA-N -1 1 381.893 1.964 20 0 GDADMM C[C@H](CNC(=O)[C@H]1C[C@H]2C[C@H]2C1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574956725 949589364 /nfs/dbraw/zinc/58/93/64/949589364.db2.gz MMMMBYXJINCLEW-IMSYWVGJSA-N -1 1 381.893 1.964 20 0 GDADMM CC1(C(=O)N2CCCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)CC(F)(F)C1 ZINC001575545145 949590380 /nfs/dbraw/zinc/59/03/80/949590380.db2.gz IMNVUMZKLRAOJB-LLVKDONJSA-N -1 1 392.414 1.885 20 0 GDADMM CC1(C(=O)N2CCCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)CC(F)(F)C1 ZINC001575545145 949590392 /nfs/dbraw/zinc/59/03/92/949590392.db2.gz IMNVUMZKLRAOJB-LLVKDONJSA-N -1 1 392.414 1.885 20 0 GDADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)CCCc1cccs1 ZINC001575270499 949591519 /nfs/dbraw/zinc/59/15/19/949591519.db2.gz CZPBZIMCTZSGNA-NEPJUHHUSA-N -1 1 386.485 1.468 20 0 GDADMM CC(C)C[C@@H](C(=O)NC[C@H](C)Nc1cncc(-c2nnn[n-]2)n1)n1ccnc1 ZINC001574126086 949602403 /nfs/dbraw/zinc/60/24/03/949602403.db2.gz ZFTKHQCAQYMMQC-JSGCOSHPSA-N -1 1 384.448 1.057 20 0 GDADMM CC(C)C[C@@H](C(=O)NC[C@H](C)Nc1cncc(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574126086 949602409 /nfs/dbraw/zinc/60/24/09/949602409.db2.gz ZFTKHQCAQYMMQC-JSGCOSHPSA-N -1 1 384.448 1.057 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC(C)(C)O)[C@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576167548 949610788 /nfs/dbraw/zinc/61/07/88/949610788.db2.gz QIBTXYZZIJDSHJ-OCCSQVGLSA-N -1 1 388.476 1.247 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC(C)(C)O)[C@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576167548 949610802 /nfs/dbraw/zinc/61/08/02/949610802.db2.gz QIBTXYZZIJDSHJ-OCCSQVGLSA-N -1 1 388.476 1.247 20 0 GDADMM C[C@]1(C(=O)N2CCCCC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CCOC1 ZINC001575547259 949620980 /nfs/dbraw/zinc/62/09/80/949620980.db2.gz WMHCJZGLRWFJMN-ACJLOTCBSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@]1(C(=O)N2CCCCC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CCOC1 ZINC001575547259 949620989 /nfs/dbraw/zinc/62/09/89/949620989.db2.gz WMHCJZGLRWFJMN-ACJLOTCBSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@@H](NC(=O)CCCc1ccsc1)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575271655 949622245 /nfs/dbraw/zinc/62/22/45/949622245.db2.gz LQXPCBYBVZVLKJ-VXGBXAGGSA-N -1 1 386.485 1.468 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@@H]1CCC(F)(F)C1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574714491 949628687 /nfs/dbraw/zinc/62/86/87/949628687.db2.gz DRFLLIBEQBOPKF-MNOVXSKESA-N -1 1 380.403 1.163 20 0 GDADMM C[C@H]1[C@@H](NC(=O)COC2CCCC2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575875474 949634531 /nfs/dbraw/zinc/63/45/31/949634531.db2.gz IISOHAQEXUEYSH-JSGCOSHPSA-N -1 1 386.460 1.089 20 0 GDADMM C[C@H]1[C@@H](NC(=O)COC2CCCC2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575875474 949634540 /nfs/dbraw/zinc/63/45/40/949634540.db2.gz IISOHAQEXUEYSH-JSGCOSHPSA-N -1 1 386.460 1.089 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@@H]1CCCO1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574715167 949640953 /nfs/dbraw/zinc/64/09/53/949640953.db2.gz HHLXMQUYLIPKRM-BDAKNGLRSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@@H]1CCCC[C@@H]1OCC(=O)NCC=CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576168567 949644876 /nfs/dbraw/zinc/64/48/76/949644876.db2.gz VJZQMJBDGQECSM-DTJRNEMCSA-N -1 1 386.460 1.336 20 0 GDADMM C[C@@H]1CCCC[C@@H]1OCC(=O)NCC=CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576168567 949644889 /nfs/dbraw/zinc/64/48/89/949644889.db2.gz VJZQMJBDGQECSM-DTJRNEMCSA-N -1 1 386.460 1.336 20 0 GDADMM CC(C)CC(C)(C)C(=O)N1CCO[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574129719 949645300 /nfs/dbraw/zinc/64/53/00/949645300.db2.gz VZMOPICBPKCLNL-CYBMUJFWSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)CC(C)(C)C(=O)N1CCO[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574129719 949645309 /nfs/dbraw/zinc/64/53/09/949645309.db2.gz VZMOPICBPKCLNL-CYBMUJFWSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CCc1ccoc1 ZINC001573814992 949648781 /nfs/dbraw/zinc/64/87/81/949648781.db2.gz FZVJSEKZBHYXEJ-ZDUSSCGKSA-N -1 1 384.444 1.247 20 0 GDADMM C[C@@H](CNC(=O)[C@H](C)OCc1ccccc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574958192 949656682 /nfs/dbraw/zinc/65/66/82/949656682.db2.gz NNHWLSBGWCAISC-STQMWFEESA-N -1 1 382.428 1.179 20 0 GDADMM C[C@@H](CNC(=O)[C@H](C)OCc1ccccc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574958192 949656693 /nfs/dbraw/zinc/65/66/93/949656693.db2.gz NNHWLSBGWCAISC-STQMWFEESA-N -1 1 382.428 1.179 20 0 GDADMM CC(C)CC(C)(C)C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCO1 ZINC001574131450 949662876 /nfs/dbraw/zinc/66/28/76/949662876.db2.gz GFMYUWXKTWHLAI-CYBMUJFWSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CCn2cccc2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575877366 949663434 /nfs/dbraw/zinc/66/34/34/949663434.db2.gz LWGQDKASQYVOMU-ZIAGYGMSSA-N -1 1 381.444 1.022 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CCn2cccc2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575877366 949663445 /nfs/dbraw/zinc/66/34/45/949663445.db2.gz LWGQDKASQYVOMU-ZIAGYGMSSA-N -1 1 381.444 1.022 20 0 GDADMM C[C@@H]1CCCC[C@@H]1C(=O)NC1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576169039 949663993 /nfs/dbraw/zinc/66/39/93/949663993.db2.gz IAIRIRKSWZTKNW-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CC(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1)c1cccc(F)c1 ZINC001574477693 949669417 /nfs/dbraw/zinc/66/94/17/949669417.db2.gz QJNCMPSCDGKSGQ-LBPRGKRZSA-N -1 1 384.419 1.860 20 0 GDADMM C[C@@H](CC(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1)c1cccc(F)c1 ZINC001574477693 949669429 /nfs/dbraw/zinc/66/94/29/949669429.db2.gz QJNCMPSCDGKSGQ-LBPRGKRZSA-N -1 1 384.419 1.860 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C1(CF)CCC1 ZINC001573816322 949674211 /nfs/dbraw/zinc/67/42/11/949674211.db2.gz QHSFIBMMUIUYDS-GFCCVEGCSA-N -1 1 376.440 1.739 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C1(CF)CCC1 ZINC001573816322 949674225 /nfs/dbraw/zinc/67/42/25/949674225.db2.gz QHSFIBMMUIUYDS-GFCCVEGCSA-N -1 1 376.440 1.739 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2CC3(CC3)C2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576169432 949677261 /nfs/dbraw/zinc/67/72/61/949677261.db2.gz XVWSHNPVYXBXBU-DOMZBBRYSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2CC3(CC3)C2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576169432 949677280 /nfs/dbraw/zinc/67/72/80/949677280.db2.gz XVWSHNPVYXBXBU-DOMZBBRYSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(C(=O)N2C[C@@H](c3ccccc3)[C@H](Nc3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001575552222 949678324 /nfs/dbraw/zinc/67/83/24/949678324.db2.gz DNDWNSTYBJROOA-LSDHHAIUSA-N -1 1 390.451 1.863 20 0 GDADMM CC1(C(=O)N2C[C@@H](c3ccccc3)[C@H](Nc3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001575552222 949678340 /nfs/dbraw/zinc/67/83/40/949678340.db2.gz DNDWNSTYBJROOA-LSDHHAIUSA-N -1 1 390.451 1.863 20 0 GDADMM C[C@@H](CC(=O)N(C)CCCN(C)c1nccnc1-c1nnn[n-]1)C(F)(F)F ZINC001574477815 949679298 /nfs/dbraw/zinc/67/92/98/949679298.db2.gz VBBVBOMZDPHQJF-JTQLQIEISA-N -1 1 386.382 1.530 20 0 GDADMM C[C@@H](CC(=O)N(C)CCCN(C)c1nccnc1-c1nn[n-]n1)C(F)(F)F ZINC001574477815 949679324 /nfs/dbraw/zinc/67/93/24/949679324.db2.gz VBBVBOMZDPHQJF-JTQLQIEISA-N -1 1 386.382 1.530 20 0 GDADMM C[C@H](CC(=O)N(C)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001574477810 949679723 /nfs/dbraw/zinc/67/97/23/949679723.db2.gz UVMPXULUFSBTDK-KGLIPLIRSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@H](CC(=O)N(C)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574477810 949679732 /nfs/dbraw/zinc/67/97/32/949679732.db2.gz UVMPXULUFSBTDK-KGLIPLIRSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CCc2ccoc2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575880212 949700117 /nfs/dbraw/zinc/70/01/17/949700117.db2.gz SGECLPFCMCRVOI-OCCSQVGLSA-N -1 1 382.428 1.356 20 0 GDADMM C[C@H]1[C@H](NC(=O)CCc2ccoc2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575880206 949700616 /nfs/dbraw/zinc/70/06/16/949700616.db2.gz SGDNHFBPBHVCMV-GXTWGEPZSA-N -1 1 382.428 1.356 20 0 GDADMM C[C@H]1[C@H](NC(=O)CCc2ccoc2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575880206 949700639 /nfs/dbraw/zinc/70/06/39/949700639.db2.gz SGDNHFBPBHVCMV-GXTWGEPZSA-N -1 1 382.428 1.356 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CCc2ccoc2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575880213 949700856 /nfs/dbraw/zinc/70/08/56/949700856.db2.gz SGECLPFCMCRVOI-TZMCWYRMSA-N -1 1 382.428 1.356 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCc1ccoc1 ZINC001573817749 949702379 /nfs/dbraw/zinc/70/23/79/949702379.db2.gz ANYZETYFAMVLAX-CQSZACIVSA-N -1 1 384.444 1.825 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCc1ccoc1 ZINC001573817749 949702390 /nfs/dbraw/zinc/70/23/90/949702390.db2.gz ANYZETYFAMVLAX-CQSZACIVSA-N -1 1 384.444 1.825 20 0 GDADMM C[C@@H]1CCCN(C(=O)Cc2ccccc2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576170471 949718564 /nfs/dbraw/zinc/71/85/64/949718564.db2.gz LDYBYMDWBQYIMV-RHSMWYFYSA-N -1 1 392.467 1.938 20 0 GDADMM C[C@@H]1CCCN(C(=O)Cc2ccccc2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576170471 949718579 /nfs/dbraw/zinc/71/85/79/949718579.db2.gz LDYBYMDWBQYIMV-RHSMWYFYSA-N -1 1 392.467 1.938 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574478806 949724956 /nfs/dbraw/zinc/72/49/56/949724956.db2.gz ASULXJLALYQKGL-ZIAGYGMSSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@H]1CCCN(C(=O)CCC(F)F)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576170680 949733925 /nfs/dbraw/zinc/73/39/25/949733925.db2.gz NCFXCLRPTZFFMN-CMPLNLGQSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H]1CCCN(C(=O)CCC(F)F)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576170680 949733935 /nfs/dbraw/zinc/73/39/35/949733935.db2.gz NCFXCLRPTZFFMN-CMPLNLGQSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574480130 949744584 /nfs/dbraw/zinc/74/45/84/949744584.db2.gz GYPUCJOQNQDCQK-OLZOCXBDSA-N -1 1 382.428 1.126 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@@H]1CCCC1(F)F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574718001 949755186 /nfs/dbraw/zinc/75/51/86/949755186.db2.gz YEPRPBIATAEYDG-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@@H]1CCCC1(F)F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574718001 949755203 /nfs/dbraw/zinc/75/52/03/949755203.db2.gz YEPRPBIATAEYDG-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cc(Cl)no1 ZINC001573819755 949755326 /nfs/dbraw/zinc/75/53/26/949755326.db2.gz UTRFHDNXIBTSBT-JTQLQIEISA-N -1 1 391.823 1.555 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cc(Cl)no1 ZINC001573819755 949755343 /nfs/dbraw/zinc/75/53/43/949755343.db2.gz UTRFHDNXIBTSBT-JTQLQIEISA-N -1 1 391.823 1.555 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cncc(F)c1 ZINC001573820314 949763984 /nfs/dbraw/zinc/76/39/84/949763984.db2.gz XJLPGQOMSOIZNP-ZDUSSCGKSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cncc(F)c1 ZINC001573820314 949763995 /nfs/dbraw/zinc/76/39/95/949763995.db2.gz XJLPGQOMSOIZNP-ZDUSSCGKSA-N -1 1 385.407 1.447 20 0 GDADMM C[C@H]1CCCN(C(=O)CCC(F)F)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576171512 949767234 /nfs/dbraw/zinc/76/72/34/949767234.db2.gz RNKQKZQFYIPRBD-WDEREUQCSA-N -1 1 380.403 1.163 20 0 GDADMM C[C@H]1CCCC[C@@H]1CC(=O)NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576171624 949773241 /nfs/dbraw/zinc/77/32/41/949773241.db2.gz QPGAXUYEGYPZRF-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCCC[C@@H]1CC(=O)NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576171624 949773249 /nfs/dbraw/zinc/77/32/49/949773249.db2.gz QPGAXUYEGYPZRF-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(c2ccc(-c4nnn[n-]4)nn2)C3)CCCC1 ZINC001575560036 949777148 /nfs/dbraw/zinc/77/71/48/949777148.db2.gz JCOCMPNXPOBEMQ-MJBXVCDLSA-N -1 1 382.472 1.711 20 0 GDADMM CC1(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(c2ccc(-c4nn[n-]n4)nn2)C3)CCCC1 ZINC001575560036 949777162 /nfs/dbraw/zinc/77/71/62/949777162.db2.gz JCOCMPNXPOBEMQ-MJBXVCDLSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H]1CCCC[C@@H]1C(=O)NCCC1(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576171694 949778155 /nfs/dbraw/zinc/77/81/55/949778155.db2.gz RDBOPFYYVJVJAL-KBPBESRZSA-N -1 1 384.488 1.603 20 0 GDADMM C[C@@H](CC(=O)N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1)[C@H]1CCCO1 ZINC001574481536 949784321 /nfs/dbraw/zinc/78/43/21/949784321.db2.gz RCRLWRXTFMRJSH-SWLSCSKDSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H](CC(=O)N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1)[C@H]1CCCO1 ZINC001574481536 949784338 /nfs/dbraw/zinc/78/43/38/949784338.db2.gz RCRLWRXTFMRJSH-SWLSCSKDSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H]1CCCN(C(=O)CCC2CC2)[C@@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576172118 949797794 /nfs/dbraw/zinc/79/77/94/949797794.db2.gz VGFFLRFIXSABNM-UKRRQHHQSA-N -1 1 384.488 1.698 20 0 GDADMM C[C@H]1CCCN(C(=O)COC(C)(C)C)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576172141 949798160 /nfs/dbraw/zinc/79/81/60/949798160.db2.gz VSGLWVOGSYBHMV-JSGCOSHPSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H]1CCCN(C(=O)COC(C)(C)C)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576172141 949798179 /nfs/dbraw/zinc/79/81/79/949798179.db2.gz VSGLWVOGSYBHMV-JSGCOSHPSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CN(C)C(=O)CCOc1ccccc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574720812 949803038 /nfs/dbraw/zinc/80/30/38/949803038.db2.gz HPMMNVBXTGPPQB-ZDUSSCGKSA-N -1 1 382.428 1.385 20 0 GDADMM C[C@@H](CN(C)C(=O)CCOc1ccccc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574720812 949803065 /nfs/dbraw/zinc/80/30/65/949803065.db2.gz HPMMNVBXTGPPQB-ZDUSSCGKSA-N -1 1 382.428 1.385 20 0 GDADMM C[C@@H](CNC(=O)c1c(F)cccc1Cl)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574965648 949807234 /nfs/dbraw/zinc/80/72/34/949807234.db2.gz INCJOCPTNCDJFT-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CNC(=O)c1c(F)cccc1Cl)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574965648 949807266 /nfs/dbraw/zinc/80/72/66/949807266.db2.gz INCJOCPTNCDJFT-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001574481978 949813632 /nfs/dbraw/zinc/81/36/32/949813632.db2.gz YHQWQJGAWRPTIA-VHSXEESVSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574481978 949813651 /nfs/dbraw/zinc/81/36/51/949813651.db2.gz YHQWQJGAWRPTIA-VHSXEESVSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@H]1CCCN(C(=O)CCCF)[C@@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576172894 949826653 /nfs/dbraw/zinc/82/66/53/949826653.db2.gz ZANGTWZNHJJQCE-GXTWGEPZSA-N -1 1 376.440 1.836 20 0 GDADMM C[C@H]1CCCN(C(=O)CCCF)[C@@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576172894 949826675 /nfs/dbraw/zinc/82/66/75/949826675.db2.gz ZANGTWZNHJJQCE-GXTWGEPZSA-N -1 1 376.440 1.836 20 0 GDADMM C[C@H](CNC(=O)c1c(F)cccc1Cl)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574965956 949828100 /nfs/dbraw/zinc/82/81/00/949828100.db2.gz PNLQDOUBNYWNAI-MRVPVSSYSA-N -1 1 376.783 1.102 20 0 GDADMM CCCN(C(=O)[C@H](C)N[C@@H](Cc1ccccc1)C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC001589658749 949829037 /nfs/dbraw/zinc/82/90/37/949829037.db2.gz FWMHCQZSZVPWGY-UAGQMJEPSA-N -1 1 396.509 1.086 20 0 GDADMM C[C@H](CNC(=O)c1c(F)cccc1Cl)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574965979 949829741 /nfs/dbraw/zinc/82/97/41/949829741.db2.gz QTTXUEGELQYQFW-VIFPVBQESA-N -1 1 390.810 1.349 20 0 GDADMM C[C@H]1CCCC[C@H]1C(=O)NC1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576173009 949834365 /nfs/dbraw/zinc/83/43/65/949834365.db2.gz WKXHUZVMVNPGSC-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCCC[C@H]1C(=O)NC1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576173009 949834387 /nfs/dbraw/zinc/83/43/87/949834387.db2.gz WKXHUZVMVNPGSC-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)C1CC1 ZINC001574483686 949836560 /nfs/dbraw/zinc/83/65/60/949836560.db2.gz IKQKQUYIMZYECA-IVMMDQJWSA-N -1 1 382.472 1.520 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)C1CC1 ZINC001574483686 949836581 /nfs/dbraw/zinc/83/65/81/949836581.db2.gz IKQKQUYIMZYECA-IVMMDQJWSA-N -1 1 382.472 1.520 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CCC(F)(F)F ZINC001573823803 949837749 /nfs/dbraw/zinc/83/77/49/949837749.db2.gz YVSNSMYQGPYZHI-SECBINFHSA-N -1 1 386.382 1.942 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CCC(F)(F)F ZINC001573823803 949837767 /nfs/dbraw/zinc/83/77/67/949837767.db2.gz YVSNSMYQGPYZHI-SECBINFHSA-N -1 1 386.382 1.942 20 0 GDADMM CC1(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)CC(F)(F)C1 ZINC001575564260 949860179 /nfs/dbraw/zinc/86/01/79/949860179.db2.gz PCGPMOJXLDFENO-JTQLQIEISA-N -1 1 378.387 1.177 20 0 GDADMM CC1(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC(F)(F)C1 ZINC001575564260 949860202 /nfs/dbraw/zinc/86/02/02/949860202.db2.gz PCGPMOJXLDFENO-JTQLQIEISA-N -1 1 378.387 1.177 20 0 GDADMM C[C@@H]1CCCN1c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001576177899 949863768 /nfs/dbraw/zinc/86/37/68/949863768.db2.gz DAIVDZCCDCCEQD-PWSUYJOCSA-N -1 1 383.416 1.039 20 0 GDADMM C[C@@H]1CCCN1c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001576177899 949863785 /nfs/dbraw/zinc/86/37/85/949863785.db2.gz DAIVDZCCDCCEQD-PWSUYJOCSA-N -1 1 383.416 1.039 20 0 GDADMM CC(C)(C)C1CC(C(=O)NCCN(c2cnc(-c3nnn[n-]3)cn2)C2CC2)C1 ZINC001573825280 949868472 /nfs/dbraw/zinc/86/84/72/949868472.db2.gz PRPMXQFFGWAKCG-UHFFFAOYSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)C1CC(C(=O)NCCN(c2cnc(-c3nn[n-]n3)cn2)C2CC2)C1 ZINC001573825280 949868496 /nfs/dbraw/zinc/86/84/96/949868496.db2.gz PRPMXQFFGWAKCG-UHFFFAOYSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ccccc1 ZINC001574484312 949873998 /nfs/dbraw/zinc/87/39/98/949873998.db2.gz ZADWTZSUGGCYGR-HIFRSBDPSA-N -1 1 378.440 1.863 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ccccc1 ZINC001574484312 949874021 /nfs/dbraw/zinc/87/40/21/949874021.db2.gz ZADWTZSUGGCYGR-HIFRSBDPSA-N -1 1 378.440 1.863 20 0 GDADMM CC(C)(C)C1CC(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573825340 949875453 /nfs/dbraw/zinc/87/54/53/949875453.db2.gz SJDJPFYAFJFJPV-HOAMVYINSA-N -1 1 382.472 1.519 20 0 GDADMM CC(C)(C)C1CC(C(=O)NC2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001573825422 949880726 /nfs/dbraw/zinc/88/07/26/949880726.db2.gz VDOHJZRGTMDQNT-UHFFFAOYSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)C1CC(C(=O)NC2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001573825422 949880746 /nfs/dbraw/zinc/88/07/46/949880746.db2.gz VDOHJZRGTMDQNT-UHFFFAOYSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574143069 949890904 /nfs/dbraw/zinc/89/09/04/949890904.db2.gz FYNDXLQZLCPFBX-UONOGXRCSA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574143069 949890920 /nfs/dbraw/zinc/89/09/20/949890920.db2.gz FYNDXLQZLCPFBX-UONOGXRCSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cn[nH]c2)[C@@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576178680 949898172 /nfs/dbraw/zinc/89/81/72/949898172.db2.gz CKZFLFKZGLKURG-BXUZGUMPSA-N -1 1 382.432 1.123 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cn[nH]c2)[C@@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576178680 949898191 /nfs/dbraw/zinc/89/81/91/949898191.db2.gz CKZFLFKZGLKURG-BXUZGUMPSA-N -1 1 382.432 1.123 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574143988 949903805 /nfs/dbraw/zinc/90/38/05/949903805.db2.gz JVIGAYJMILSAEJ-UONOGXRCSA-N -1 1 388.476 1.193 20 0 GDADMM C[C@@H](CC(=O)N1CCCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C1CC1 ZINC001574484788 949906528 /nfs/dbraw/zinc/90/65/28/949906528.db2.gz OFVPOUCTDCPINO-JSGCOSHPSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](CC(=O)N1CCCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C1CC1 ZINC001574484788 949906549 /nfs/dbraw/zinc/90/65/49/949906549.db2.gz OFVPOUCTDCPINO-JSGCOSHPSA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001573826306 949906827 /nfs/dbraw/zinc/90/68/27/949906827.db2.gz GPHQONXDLYWKGO-OLZOCXBDSA-N -1 1 389.460 1.240 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001574485227 949921557 /nfs/dbraw/zinc/92/15/57/949921557.db2.gz VLFNIHJHQZZXOS-GDBMZVCRSA-N -1 1 392.467 1.675 20 0 GDADMM C[C@H](CC(=O)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1)c1ccco1 ZINC001574485197 949922247 /nfs/dbraw/zinc/92/22/47/949922247.db2.gz UZCCTZBSUXOPDC-CYBMUJFWSA-N -1 1 382.428 1.482 20 0 GDADMM C[C@H](CC(=O)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1)c1ccco1 ZINC001574485197 949922264 /nfs/dbraw/zinc/92/22/64/949922264.db2.gz UZCCTZBSUXOPDC-CYBMUJFWSA-N -1 1 382.428 1.482 20 0 GDADMM C[C@H]1CCN(C(=O)C2(CCF)CC2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576179627 949922293 /nfs/dbraw/zinc/92/22/93/949922293.db2.gz BHJGYHLUDXILHH-QWHCGFSZSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@H]1CCN(C(=O)C2(CCF)CC2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576179627 949922315 /nfs/dbraw/zinc/92/23/15/949922315.db2.gz BHJGYHLUDXILHH-QWHCGFSZSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001574485717 949929766 /nfs/dbraw/zinc/92/97/66/949929766.db2.gz ZOIFXLYSXBKSOU-VHSXEESVSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001574485717 949929777 /nfs/dbraw/zinc/92/97/77/949929777.db2.gz ZOIFXLYSXBKSOU-VHSXEESVSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccccn2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576180073 949934243 /nfs/dbraw/zinc/93/42/43/949934243.db2.gz HDZJOZGNPFIBRL-DOMZBBRYSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccccn2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576180073 949934254 /nfs/dbraw/zinc/93/42/54/949934254.db2.gz HDZJOZGNPFIBRL-DOMZBBRYSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@@H](NC(=O)CN(C)c1ccccc1)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575285495 949945357 /nfs/dbraw/zinc/94/53/57/949945357.db2.gz NVWIKLCXAAGTHR-CHWSQXEVSA-N -1 1 381.444 1.098 20 0 GDADMM C[C@@H](NC(=O)CN(C)c1ccccc1)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575285495 949945377 /nfs/dbraw/zinc/94/53/77/949945377.db2.gz NVWIKLCXAAGTHR-CHWSQXEVSA-N -1 1 381.444 1.098 20 0 GDADMM CC(C)(C)[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(F)c2)CCO1 ZINC001573829314 949952100 /nfs/dbraw/zinc/95/21/00/949952100.db2.gz YGXQXXOUSNXWNL-AWEZNQCLSA-N -1 1 383.449 1.832 20 0 GDADMM C[C@@H](CC(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1ccco1 ZINC001574489982 949975135 /nfs/dbraw/zinc/97/51/35/949975135.db2.gz MIIXUWAWCYZVNN-WCQYABFASA-N -1 1 382.428 1.172 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001574490177 949981741 /nfs/dbraw/zinc/98/17/41/949981741.db2.gz NXPDWVXKTQSGLL-OPRDCNLKSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001574490177 949981758 /nfs/dbraw/zinc/98/17/58/949981758.db2.gz NXPDWVXKTQSGLL-OPRDCNLKSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cscn2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576180978 949982029 /nfs/dbraw/zinc/98/20/29/949982029.db2.gz QUYQLJZXQWFTDK-MFKMUULPSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cscn2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576180978 949982045 /nfs/dbraw/zinc/98/20/45/949982045.db2.gz QUYQLJZXQWFTDK-MFKMUULPSA-N -1 1 385.457 1.466 20 0 GDADMM CC(C)(C)CC(=O)N1CCC2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001573831360 949994151 /nfs/dbraw/zinc/99/41/51/949994151.db2.gz WBLPQHSXQQNJBL-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)(C)CC(=O)N1CCC2(C1)CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001573831480 950002722 /nfs/dbraw/zinc/00/27/22/950002722.db2.gz ZLRLLXYCXOEWCI-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)(C)CC(=O)N1CCC2(C1)CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001573831480 950002745 /nfs/dbraw/zinc/00/27/45/950002745.db2.gz ZLRLLXYCXOEWCI-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ccc(Cl)s1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574728940 950010739 /nfs/dbraw/zinc/01/07/39/950010739.db2.gz LISSHZBDQLOACE-SECBINFHSA-N -1 1 392.876 1.873 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ccc(Cl)s1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574728940 950010761 /nfs/dbraw/zinc/01/07/61/950010761.db2.gz LISSHZBDQLOACE-SECBINFHSA-N -1 1 392.876 1.873 20 0 GDADMM C[C@@H](CC(=O)N1C[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1)C1CC1 ZINC001574490793 950016228 /nfs/dbraw/zinc/01/62/28/950016228.db2.gz ZFBFBRONMMOVLE-CFVMTHIKSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(C(F)F)CC2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576182296 950045330 /nfs/dbraw/zinc/04/53/30/950045330.db2.gz ZBOFZAVJGVUQGE-GHMZBOCLSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(C(F)F)CC2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576182296 950045350 /nfs/dbraw/zinc/04/53/50/950045350.db2.gz ZBOFZAVJGVUQGE-GHMZBOCLSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H]1CCN(C(=O)C(C)(C)C2CC2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576182411 950051960 /nfs/dbraw/zinc/05/19/60/950051960.db2.gz ZQJXSISDMODMKT-QWHCGFSZSA-N -1 1 384.488 1.411 20 0 GDADMM C[C@H]1CCN(C(=O)Cc2ccc[nH]2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576182929 950070487 /nfs/dbraw/zinc/07/04/87/950070487.db2.gz OAXFPPYBWHRYNB-STQMWFEESA-N -1 1 381.444 1.124 20 0 GDADMM C[C@H]1CCN(C(=O)Cc2ccc[nH]2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576182929 950070505 /nfs/dbraw/zinc/07/05/05/950070505.db2.gz OAXFPPYBWHRYNB-STQMWFEESA-N -1 1 381.444 1.124 20 0 GDADMM C[C@@H](CN(C)C(=O)Cn1cccn1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574732564 950074209 /nfs/dbraw/zinc/07/42/09/950074209.db2.gz KCGBUVGMASBORH-QMMMGPOBSA-N -1 1 381.853 1.132 20 0 GDADMM C[C@@H]1CCN(C(=O)C2CC3(CC3)C2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576183330 950081820 /nfs/dbraw/zinc/08/18/20/950081820.db2.gz PIKCGKXHDMDENW-TZMCWYRMSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@@H]1CCN(C(=O)C2CC3(CC3)C2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576183330 950081837 /nfs/dbraw/zinc/08/18/37/950081837.db2.gz PIKCGKXHDMDENW-TZMCWYRMSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@@H](CN(C)C(=O)Cn1ccnc1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574733009 950092383 /nfs/dbraw/zinc/09/23/83/950092383.db2.gz PPZLLWJPNHNGIA-QMMMGPOBSA-N -1 1 381.853 1.132 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cnco2)[C@@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576183449 950092401 /nfs/dbraw/zinc/09/24/01/950092401.db2.gz SBBYJEINEBVICV-WCQYABFASA-N -1 1 383.416 1.388 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cnco2)[C@@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576183449 950092427 /nfs/dbraw/zinc/09/24/27/950092427.db2.gz SBBYJEINEBVICV-WCQYABFASA-N -1 1 383.416 1.388 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574492638 950097854 /nfs/dbraw/zinc/09/78/54/950097854.db2.gz NWKPIPGBFCXPCC-KGLIPLIRSA-N -1 1 381.444 1.195 20 0 GDADMM CC1(C(=O)NC[C@@H]2CCCCN2c2cncc(-c3nnn[n-]3)n2)CC(F)(F)C1 ZINC001575582190 950103689 /nfs/dbraw/zinc/10/36/89/950103689.db2.gz AVFDSJNGHMGTID-NSHDSACASA-N -1 1 392.414 1.567 20 0 GDADMM CC1(C(=O)NC[C@@H]2CCCCN2c2cncc(-c3nn[n-]n3)n2)CC(F)(F)C1 ZINC001575582190 950103703 /nfs/dbraw/zinc/10/37/03/950103703.db2.gz AVFDSJNGHMGTID-NSHDSACASA-N -1 1 392.414 1.567 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)c1ccccc1 ZINC001574492972 950110007 /nfs/dbraw/zinc/11/00/07/950110007.db2.gz PYVZLITUJFIBMA-GDBMZVCRSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)c1ccccc1 ZINC001574492972 950110021 /nfs/dbraw/zinc/11/00/21/950110021.db2.gz PYVZLITUJFIBMA-GDBMZVCRSA-N -1 1 392.467 1.936 20 0 GDADMM CC(C)(C)CC(=O)N[C@@H]1[C@H]2CN(c3nc(-c4nn[n-]n4)c(Cl)s3)C[C@H]21 ZINC001573838465 950115131 /nfs/dbraw/zinc/11/51/31/950115131.db2.gz DTZURFGWWMIIPY-MBTKJCJQSA-N -1 1 381.893 1.964 20 0 GDADMM C[C@H]1CCN(C(=O)CCC(F)F)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576184697 950137304 /nfs/dbraw/zinc/13/73/04/950137304.db2.gz XGKMCAIKRYVGKA-WDEREUQCSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H]1CCN(C(=O)CCC(F)F)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576184697 950137316 /nfs/dbraw/zinc/13/73/16/950137316.db2.gz XGKMCAIKRYVGKA-WDEREUQCSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H](C)Cc1ccccc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574734774 950142804 /nfs/dbraw/zinc/14/28/04/950142804.db2.gz QRJMVXGVZCXONK-ZIAGYGMSSA-N -1 1 380.456 1.216 20 0 GDADMM C[C@H]1CCN(C(=O)C2CC(C)(C)C2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576184930 950146242 /nfs/dbraw/zinc/14/62/42/950146242.db2.gz YKTDPTYGPPMYBS-GXTWGEPZSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H]1CCN(C(=O)C2CC(C)(C)C2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576184930 950146254 /nfs/dbraw/zinc/14/62/54/950146254.db2.gz YKTDPTYGPPMYBS-GXTWGEPZSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H](CC(=O)N[C@@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001574493943 950146639 /nfs/dbraw/zinc/14/66/39/950146639.db2.gz VOVHIPKVXIVJDA-ACJLOTCBSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](CC(=O)N[C@@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574493943 950146646 /nfs/dbraw/zinc/14/66/46/950146646.db2.gz VOVHIPKVXIVJDA-ACJLOTCBSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(C3CC3)CC2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576185093 950156170 /nfs/dbraw/zinc/15/61/70/950156170.db2.gz ZMGIVVKLEFXIRS-OLZOCXBDSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(C3CC3)CC2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576185093 950156186 /nfs/dbraw/zinc/15/61/86/950156186.db2.gz ZMGIVVKLEFXIRS-OLZOCXBDSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@H](CC(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nn1)CC(C)(C)C ZINC001574494327 950160311 /nfs/dbraw/zinc/16/03/11/950160311.db2.gz KGIVBMVXYUPTSO-VXGBXAGGSA-N -1 1 376.465 1.008 20 0 GDADMM C[C@H](CC(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nn1)CC(C)(C)C ZINC001574494327 950160323 /nfs/dbraw/zinc/16/03/23/950160323.db2.gz KGIVBMVXYUPTSO-VXGBXAGGSA-N -1 1 376.465 1.008 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573844575 950195670 /nfs/dbraw/zinc/19/56/70/950195670.db2.gz BVGQDUVVOKLCOC-BFHYXJOUSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573844575 950195683 /nfs/dbraw/zinc/19/56/83/950195683.db2.gz BVGQDUVVOKLCOC-BFHYXJOUSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H]1Cc2ccccc21 ZINC001574155542 950196801 /nfs/dbraw/zinc/19/68/01/950196801.db2.gz NIGAPRPMJHTGGO-GDBMZVCRSA-N -1 1 392.467 1.939 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H]1Cc2ccccc21 ZINC001574155542 950196812 /nfs/dbraw/zinc/19/68/12/950196812.db2.gz NIGAPRPMJHTGGO-GDBMZVCRSA-N -1 1 392.467 1.939 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H](C)C(C)(F)F ZINC001574155689 950205686 /nfs/dbraw/zinc/20/56/86/950205686.db2.gz QFGHQELBDYGYEF-MNOVXSKESA-N -1 1 382.419 1.891 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H](C)C(C)(F)F ZINC001574155689 950205700 /nfs/dbraw/zinc/20/57/00/950205700.db2.gz QFGHQELBDYGYEF-MNOVXSKESA-N -1 1 382.419 1.891 20 0 GDADMM CC1(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)CC(F)(F)C1 ZINC001575586768 950223283 /nfs/dbraw/zinc/22/32/83/950223283.db2.gz JRBJCIDHEYMLLD-JTQLQIEISA-N -1 1 378.387 1.177 20 0 GDADMM CC1(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)CC(F)(F)C1 ZINC001575586768 950223305 /nfs/dbraw/zinc/22/33/05/950223305.db2.gz JRBJCIDHEYMLLD-JTQLQIEISA-N -1 1 378.387 1.177 20 0 GDADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)Cc1cccs1 ZINC001574156088 950223878 /nfs/dbraw/zinc/22/38/78/950223878.db2.gz WICAGEFIDSUWFU-GFCCVEGCSA-N -1 1 386.485 1.326 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccccc2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576192169 950228453 /nfs/dbraw/zinc/22/84/53/950228453.db2.gz MGPVQSQWSMQMJI-ZFWWWQNUSA-N -1 1 378.440 1.867 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccccc2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576192169 950228470 /nfs/dbraw/zinc/22/84/70/950228470.db2.gz MGPVQSQWSMQMJI-ZFWWWQNUSA-N -1 1 378.440 1.867 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cccc(=O)[nH]1 ZINC001574157429 950237147 /nfs/dbraw/zinc/23/71/47/950237147.db2.gz BDDJZKGZDQKEQP-LLVKDONJSA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cccc(=O)[nH]1 ZINC001574157429 950237167 /nfs/dbraw/zinc/23/71/67/950237167.db2.gz BDDJZKGZDQKEQP-LLVKDONJSA-N -1 1 383.416 1.014 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccccc2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576192365 950242395 /nfs/dbraw/zinc/24/23/95/950242395.db2.gz NLXQYFFJFKGFLW-ZFWWWQNUSA-N -1 1 378.440 1.867 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccccc2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576192365 950242416 /nfs/dbraw/zinc/24/24/16/950242416.db2.gz NLXQYFFJFKGFLW-ZFWWWQNUSA-N -1 1 378.440 1.867 20 0 GDADMM C[C@H]1CCN(C(=O)c2cccs2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576192702 950262372 /nfs/dbraw/zinc/26/23/72/950262372.db2.gz QBXUJEINWKVDIB-RYUDHWBXSA-N -1 1 384.469 1.350 20 0 GDADMM C[C@@H](CN(C)C(=O)c1c(F)cc(F)cc1F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574742157 950270699 /nfs/dbraw/zinc/27/06/99/950270699.db2.gz MTEWTESMGJJIQJ-QMMMGPOBSA-N -1 1 392.345 1.069 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](O)CNc1nc(-c2nn[n-]n2)c(Cl)s1)C1CC1 ZINC001574498518 950281170 /nfs/dbraw/zinc/28/11/70/950281170.db2.gz OMWATBMNCYBVBO-CBAPKCEASA-N -1 1 385.881 1.302 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CC1CCOCC1 ZINC001574158732 950288484 /nfs/dbraw/zinc/28/84/84/950288484.db2.gz RIIKFZOGVWNRAH-CQSZACIVSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CC1CCOCC1 ZINC001574158732 950288503 /nfs/dbraw/zinc/28/85/03/950288503.db2.gz RIIKFZOGVWNRAH-CQSZACIVSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CC1)c1ccncc1 ZINC001574498896 950289108 /nfs/dbraw/zinc/28/91/08/950289108.db2.gz QWJFHIXUEFHSBA-LBPRGKRZSA-N -1 1 379.428 1.306 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CC1)c1ccncc1 ZINC001574498896 950289125 /nfs/dbraw/zinc/28/91/25/950289125.db2.gz QWJFHIXUEFHSBA-LBPRGKRZSA-N -1 1 379.428 1.306 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1)C1CCCCC1 ZINC001574499177 950292555 /nfs/dbraw/zinc/29/25/55/950292555.db2.gz SLPITYSJHDNBKJ-OCCSQVGLSA-N -1 1 388.476 1.152 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1)C1CCCCC1 ZINC001574499177 950292569 /nfs/dbraw/zinc/29/25/69/950292569.db2.gz SLPITYSJHDNBKJ-OCCSQVGLSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@@H](CCC(=O)Nc2n[nH]cc2-c2nnn[n-]2)C1 ZINC001573852328 950303651 /nfs/dbraw/zinc/30/36/51/950303651.db2.gz FDZQXRMLRRDFKP-SNVBAGLBSA-N -1 1 376.421 1.566 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@@H](CCC(=O)Nc2n[nH]cc2-c2nn[n-]n2)C1 ZINC001573852328 950303671 /nfs/dbraw/zinc/30/36/71/950303671.db2.gz FDZQXRMLRRDFKP-SNVBAGLBSA-N -1 1 376.421 1.566 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCOCC1)C1CC1 ZINC001574499764 950303767 /nfs/dbraw/zinc/30/37/67/950303767.db2.gz WUEYLQBZJONOPJ-GFCCVEGCSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCOCC1)C1CC1 ZINC001574499764 950303790 /nfs/dbraw/zinc/30/37/90/950303790.db2.gz WUEYLQBZJONOPJ-GFCCVEGCSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1)C1CCCCC1 ZINC001574499807 950306624 /nfs/dbraw/zinc/30/66/24/950306624.db2.gz XGNZWLNYCXYCHR-JSGCOSHPSA-N -1 1 388.476 1.152 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1)C1CCCCC1 ZINC001574499807 950306656 /nfs/dbraw/zinc/30/66/56/950306656.db2.gz XGNZWLNYCXYCHR-JSGCOSHPSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccc(Cl)o1 ZINC001574159704 950318629 /nfs/dbraw/zinc/31/86/29/950318629.db2.gz YBWJGNNQLQIAEY-JTQLQIEISA-N -1 1 390.835 1.582 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ncccc1F ZINC001574159828 950323964 /nfs/dbraw/zinc/32/39/64/950323964.db2.gz JYDFHUITFYLAER-NSHDSACASA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ncccc1F ZINC001574159828 950323985 /nfs/dbraw/zinc/32/39/85/950323985.db2.gz JYDFHUITFYLAER-NSHDSACASA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3nn[n-]n3)n2)C[C@@H]1CCO ZINC001573853734 950329274 /nfs/dbraw/zinc/32/92/74/950329274.db2.gz UYDAEXYPGXAEFM-AWEZNQCLSA-N -1 1 389.460 1.065 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccco1 ZINC001574501439 950331358 /nfs/dbraw/zinc/33/13/58/950331358.db2.gz DHERYBGYTUVFRT-CHWSQXEVSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574501439 950331377 /nfs/dbraw/zinc/33/13/77/950331377.db2.gz DHERYBGYTUVFRT-CHWSQXEVSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccco1 ZINC001574501440 950333656 /nfs/dbraw/zinc/33/36/56/950333656.db2.gz DHERYBGYTUVFRT-OLZOCXBDSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574501440 950333678 /nfs/dbraw/zinc/33/36/78/950333678.db2.gz DHERYBGYTUVFRT-OLZOCXBDSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001574502184 950364091 /nfs/dbraw/zinc/36/40/91/950364091.db2.gz KFWCGVQCOBXEPE-OLZOCXBDSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001574502184 950364110 /nfs/dbraw/zinc/36/41/10/950364110.db2.gz KFWCGVQCOBXEPE-OLZOCXBDSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@H](CC(=O)NCCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001574502375 950373189 /nfs/dbraw/zinc/37/31/89/950373189.db2.gz MNDFYGUHOCXURN-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](CC(=O)NCCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001574502376 950374724 /nfs/dbraw/zinc/37/47/24/950374724.db2.gz MNDFYGUHOCXURN-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C(=O)NC[C@@H]2c3ccccc3CCN2c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001575596702 950384142 /nfs/dbraw/zinc/38/41/42/950384142.db2.gz UUUJFCJFCPQUNH-MRXNPFEDSA-N -1 1 390.451 1.677 20 0 GDADMM CC1(C(=O)NC[C@@H]2c3ccccc3CCN2c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001575596702 950384160 /nfs/dbraw/zinc/38/41/60/950384160.db2.gz UUUJFCJFCPQUNH-MRXNPFEDSA-N -1 1 390.451 1.677 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C1CCC(O)CC1 ZINC001574162522 950386195 /nfs/dbraw/zinc/38/61/95/950386195.db2.gz CFSXSEJCWBAWAN-ROKHWSDSSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C1CCC(O)CC1 ZINC001574162522 950386216 /nfs/dbraw/zinc/38/62/16/950386216.db2.gz CFSXSEJCWBAWAN-ROKHWSDSSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@H]1CCCOC1 ZINC001574162738 950398646 /nfs/dbraw/zinc/39/86/46/950398646.db2.gz HZMOKBHWHCZXAB-ZIAGYGMSSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@H]1CCCOC1 ZINC001574162738 950398668 /nfs/dbraw/zinc/39/86/68/950398668.db2.gz HZMOKBHWHCZXAB-ZIAGYGMSSA-N -1 1 388.476 1.416 20 0 GDADMM CC1(C(=O)NC[C@@H]2CN(c3nccnc3-c3nnn[n-]3)CCC2(F)F)CCC1 ZINC001575597244 950404973 /nfs/dbraw/zinc/40/49/73/950404973.db2.gz ZUDISNDFMHKHSS-LLVKDONJSA-N -1 1 392.414 1.425 20 0 GDADMM CC1(C(=O)NC[C@@H]2CN(c3nccnc3-c3nn[n-]n3)CCC2(F)F)CCC1 ZINC001575597244 950404996 /nfs/dbraw/zinc/40/49/96/950404996.db2.gz ZUDISNDFMHKHSS-LLVKDONJSA-N -1 1 392.414 1.425 20 0 GDADMM CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2coc(-c3nnn[n-]3)c2)CCCO1 ZINC001573860335 950421944 /nfs/dbraw/zinc/42/19/44/950421944.db2.gz GJYISRZABFXCAH-LBPRGKRZSA-N -1 1 392.416 1.216 20 0 GDADMM CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2coc(-c3nn[n-]n3)c2)CCCO1 ZINC001573860335 950421956 /nfs/dbraw/zinc/42/19/56/950421956.db2.gz GJYISRZABFXCAH-LBPRGKRZSA-N -1 1 392.416 1.216 20 0 GDADMM CC1(C(=O)NCc2ccc(CNc3ccnc(-c4nn[n-]n4)n3)cc2F)CC1 ZINC001575599403 950428023 /nfs/dbraw/zinc/42/80/23/950428023.db2.gz IXBAHISRVRPGIZ-UHFFFAOYSA-N -1 1 382.403 1.246 20 0 GDADMM CC(C)CC1(C(=O)NCCN(c2ccc(-c3nnn[n-]3)nn2)C2CC2)CCC1 ZINC001574166760 950477965 /nfs/dbraw/zinc/47/79/65/950477965.db2.gz YGKPDNVULZCUAQ-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CC1(C(=O)NCCN(c2ccc(-c3nn[n-]n3)nn2)C2CC2)CCC1 ZINC001574166760 950477989 /nfs/dbraw/zinc/47/79/89/950477989.db2.gz YGKPDNVULZCUAQ-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)NC(N)=O ZINC001574508898 950491565 /nfs/dbraw/zinc/49/15/65/950491565.db2.gz PZWMVHRUYLSUSJ-SNVBAGLBSA-N -1 1 385.453 1.658 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C)n1cccc1 ZINC001574508913 950492026 /nfs/dbraw/zinc/49/20/26/950492026.db2.gz QGYGDXHEPRJIFK-QLFBSQMISA-N -1 1 395.471 1.298 20 0 GDADMM CC(C)(C)OCC(=O)N1CC[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573867048 950519928 /nfs/dbraw/zinc/51/99/28/950519928.db2.gz OWJCUOVYRJFUGA-MRVPVSSYSA-N -1 1 385.881 1.805 20 0 GDADMM CC(C)(C)OCC(=O)N1CC[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573867048 950519953 /nfs/dbraw/zinc/51/99/53/950519953.db2.gz OWJCUOVYRJFUGA-MRVPVSSYSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001574511558 950565471 /nfs/dbraw/zinc/56/54/71/950565471.db2.gz LWRPJIJMZBODJR-VHSXEESVSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001574511558 950565481 /nfs/dbraw/zinc/56/54/81/950565481.db2.gz LWRPJIJMZBODJR-VHSXEESVSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)CCC(=O)N1CCC2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001574171929 950572854 /nfs/dbraw/zinc/57/28/54/950572854.db2.gz XGGOSWADGIMEPD-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)CCC(=O)N1CCC2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001574171929 950572879 /nfs/dbraw/zinc/57/28/79/950572879.db2.gz XGGOSWADGIMEPD-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)CCC(=O)N1CCC2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001574171900 950573323 /nfs/dbraw/zinc/57/33/23/950573323.db2.gz WAXAALANZHTHER-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)(C)OCC(=O)NC[C@@H]1CCCCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001573870197 950584710 /nfs/dbraw/zinc/58/47/10/950584710.db2.gz GJCQTDZVEANVJB-ZDUSSCGKSA-N -1 1 388.476 1.337 20 0 GDADMM CC1(C)C(C(=O)NC2CCC(Nc3ccnc(-c4nn[n-]n4)n3)CC2)C1(C)C ZINC001575617626 950604107 /nfs/dbraw/zinc/60/41/07/950604107.db2.gz DMWFCBBGGHNKKW-UHFFFAOYSA-N -1 1 384.488 1.600 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C)c1ccccc1 ZINC001574513519 950608813 /nfs/dbraw/zinc/60/88/13/950608813.db2.gz RVUFNKKJVXVUMN-LZWOXQAQSA-N -1 1 392.467 1.934 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C)c1ccccc1 ZINC001574513519 950608828 /nfs/dbraw/zinc/60/88/28/950608828.db2.gz RVUFNKKJVXVUMN-LZWOXQAQSA-N -1 1 392.467 1.934 20 0 GDADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(CF)cc1 ZINC001575919864 950624949 /nfs/dbraw/zinc/62/49/49/950624949.db2.gz KWJFNCYIODWVLL-BXUZGUMPSA-N -1 1 382.403 1.263 20 0 GDADMM CC1(C)C(C(=O)N2CC[C@@H](CCNc3cnc(-c4nnn[n-]4)cn3)C2)C1(C)C ZINC001575620651 950629923 /nfs/dbraw/zinc/62/99/23/950629923.db2.gz YECGTZBACDXRTM-GFCCVEGCSA-N -1 1 384.488 1.989 20 0 GDADMM CC1(C)C(C(=O)N2CC[C@@H](CCNc3cnc(-c4nn[n-]n4)cn3)C2)C1(C)C ZINC001575620651 950629939 /nfs/dbraw/zinc/62/99/39/950629939.db2.gz YECGTZBACDXRTM-GFCCVEGCSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccn(C(C)(C)C)n1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574759568 950642412 /nfs/dbraw/zinc/64/24/12/950642412.db2.gz OITCMTDCANKSLW-LLVKDONJSA-N -1 1 384.448 1.181 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccn(C(C)(C)C)n1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574759568 950642417 /nfs/dbraw/zinc/64/24/17/950642417.db2.gz OITCMTDCANKSLW-LLVKDONJSA-N -1 1 384.448 1.181 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1ccco1 ZINC001574518242 950651581 /nfs/dbraw/zinc/65/15/81/950651581.db2.gz MUWJCPIKSRVFMO-JHJVBQTASA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574518242 950651599 /nfs/dbraw/zinc/65/15/99/950651599.db2.gz MUWJCPIKSRVFMO-JHJVBQTASA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)cs1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575002486 950665060 /nfs/dbraw/zinc/66/50/60/950665060.db2.gz UJVDZYVAMSHJHV-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)cs1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575002486 950665070 /nfs/dbraw/zinc/66/50/70/950665070.db2.gz UJVDZYVAMSHJHV-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001573876248 950666792 /nfs/dbraw/zinc/66/67/92/950666792.db2.gz HKYBODPSIASQOV-XJFOESAGSA-N -1 1 382.472 1.519 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1csc(Cl)n1 ZINC001575924192 950669298 /nfs/dbraw/zinc/66/92/98/950669298.db2.gz DWSARGOXIAIOKA-JGVFFNPUSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1csc(Cl)n1 ZINC001575924192 950669306 /nfs/dbraw/zinc/66/93/06/950669306.db2.gz DWSARGOXIAIOKA-JGVFFNPUSA-N -1 1 391.848 1.482 20 0 GDADMM CC1(C)[C@H](NC(=O)CCCF)[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)[C@@H]21 ZINC001575624779 950674139 /nfs/dbraw/zinc/67/41/39/950674139.db2.gz OGSHCGFVJIOJET-DFBGVHRSSA-N -1 1 388.451 1.516 20 0 GDADMM CC1(C)[C@H](NC(=O)CCCF)[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)[C@H]21 ZINC001575624782 950676164 /nfs/dbraw/zinc/67/61/64/950676164.db2.gz OGSHCGFVJIOJET-KCPJHIHWSA-N -1 1 388.451 1.516 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cc(F)cc(F)c1 ZINC001575924891 950677104 /nfs/dbraw/zinc/67/71/04/950677104.db2.gz FYUZZBBDRDHQRM-NOZJJQNGSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cc(F)cc(F)c1 ZINC001575924891 950677111 /nfs/dbraw/zinc/67/71/11/950677111.db2.gz FYUZZBBDRDHQRM-NOZJJQNGSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccnc(C2CC2)c1 ZINC001575925688 950689435 /nfs/dbraw/zinc/68/94/35/950689435.db2.gz HXGLJEAHTDYTOF-FZMZJTMJSA-N -1 1 391.439 1.644 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccnc(C2CC2)c1 ZINC001575925688 950689450 /nfs/dbraw/zinc/68/94/50/950689450.db2.gz HXGLJEAHTDYTOF-FZMZJTMJSA-N -1 1 391.439 1.644 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccccc1 ZINC001574519650 950691773 /nfs/dbraw/zinc/69/17/73/950691773.db2.gz XIKKZDOUANBOLJ-YUELXQCFSA-N -1 1 378.440 1.910 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccccc1 ZINC001574519650 950691788 /nfs/dbraw/zinc/69/17/88/950691788.db2.gz XIKKZDOUANBOLJ-YUELXQCFSA-N -1 1 378.440 1.910 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccnn1C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574761073 950692118 /nfs/dbraw/zinc/69/21/18/950692118.db2.gz QKJOBKASSDOTMW-ZETCQYMHSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576215377 950695971 /nfs/dbraw/zinc/69/59/71/950695971.db2.gz AUGXISKJUCJBNY-NXEZZACHSA-N -1 1 378.387 1.208 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576215377 950695981 /nfs/dbraw/zinc/69/59/81/950695981.db2.gz AUGXISKJUCJBNY-NXEZZACHSA-N -1 1 378.387 1.208 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C2CCC2)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576215362 950696773 /nfs/dbraw/zinc/69/67/73/950696773.db2.gz AQZWFGHNFGZWIJ-TZMCWYRMSA-N -1 1 384.488 1.554 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C(F)F)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576215403 950700936 /nfs/dbraw/zinc/70/09/36/950700936.db2.gz BADGZUNGMRQZRF-ZJUUUORDSA-N -1 1 380.403 1.454 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C(F)F)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576215403 950700954 /nfs/dbraw/zinc/70/09/54/950700954.db2.gz BADGZUNGMRQZRF-ZJUUUORDSA-N -1 1 380.403 1.454 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576215919 950718943 /nfs/dbraw/zinc/71/89/43/950718943.db2.gz CFIXPPPQYJCFAF-WDEREUQCSA-N -1 1 392.414 1.020 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C2CCC2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576215923 950720839 /nfs/dbraw/zinc/72/08/39/950720839.db2.gz CGXKZLBWJAGUKM-OLZOCXBDSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C2CCC2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576215923 950720849 /nfs/dbraw/zinc/72/08/49/950720849.db2.gz CGXKZLBWJAGUKM-OLZOCXBDSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576216170 950722631 /nfs/dbraw/zinc/72/26/31/950722631.db2.gz CMDVBOUSUMOLLD-WDEREUQCSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576216170 950722644 /nfs/dbraw/zinc/72/26/44/950722644.db2.gz CMDVBOUSUMOLLD-WDEREUQCSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576216323 950727460 /nfs/dbraw/zinc/72/74/60/950727460.db2.gz DHZLMCPBIVONGO-QWRGUYRKSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576216323 950727478 /nfs/dbraw/zinc/72/74/78/950727478.db2.gz DHZLMCPBIVONGO-QWRGUYRKSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H](CNC(=O)c1cc2c(s1)CCCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575007046 950733911 /nfs/dbraw/zinc/73/39/11/950733911.db2.gz ZZRAMODRFPLEFO-JTQLQIEISA-N -1 1 384.469 1.827 20 0 GDADMM C[C@@H](CNC(=O)c1cc2c(s1)CCCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575007046 950733926 /nfs/dbraw/zinc/73/39/26/950733926.db2.gz ZZRAMODRFPLEFO-JTQLQIEISA-N -1 1 384.469 1.827 20 0 GDADMM CC1(C)CC(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575629984 950754204 /nfs/dbraw/zinc/75/42/04/950754204.db2.gz XNCFLJZXETUUKE-AGUYFDCRSA-N -1 1 382.472 1.709 20 0 GDADMM CC1(C)CC(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575629984 950754220 /nfs/dbraw/zinc/75/42/20/950754220.db2.gz XNCFLJZXETUUKE-AGUYFDCRSA-N -1 1 382.472 1.709 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cnc2ccccc2n1)Nc1nccnc1-c1nnn[n-]1 ZINC001574764687 950756637 /nfs/dbraw/zinc/75/66/37/950756637.db2.gz WIOGHCBSOBRCBO-NSHDSACASA-N -1 1 390.411 1.173 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cnc2ccccc2n1)Nc1nccnc1-c1nn[n-]n1 ZINC001574764687 950756654 /nfs/dbraw/zinc/75/66/54/950756654.db2.gz WIOGHCBSOBRCBO-NSHDSACASA-N -1 1 390.411 1.173 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1nc(Cl)cs1 ZINC001575927834 950759437 /nfs/dbraw/zinc/75/94/37/950759437.db2.gz VEHUEHDQVJSGGN-JGVFFNPUSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1nc(Cl)cs1 ZINC001575927834 950759447 /nfs/dbraw/zinc/75/94/47/950759447.db2.gz VEHUEHDQVJSGGN-JGVFFNPUSA-N -1 1 391.848 1.482 20 0 GDADMM CC1(C)CC(CC(=O)NC[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001575632277 950795366 /nfs/dbraw/zinc/79/53/66/950795366.db2.gz GATWSLLAKCHLHU-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C)CC(CC(=O)NC[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001575632277 950795376 /nfs/dbraw/zinc/79/53/76/950795376.db2.gz GATWSLLAKCHLHU-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H]1[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCN1C(=O)Cc1ccc[nH]1 ZINC001575931601 950810279 /nfs/dbraw/zinc/81/02/79/950810279.db2.gz IYWVPIIRNVOGLC-WCBMZHEXSA-N -1 1 392.876 1.949 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCc1ccccc1 ZINC001575931622 950812949 /nfs/dbraw/zinc/81/29/49/950812949.db2.gz JBGZUYSCRKGBAE-HIFRSBDPSA-N -1 1 378.440 1.691 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1ccccc1 ZINC001575931622 950812970 /nfs/dbraw/zinc/81/29/70/950812970.db2.gz JBGZUYSCRKGBAE-HIFRSBDPSA-N -1 1 378.440 1.691 20 0 GDADMM C[C@@H]1[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCN1C(=O)c1cn[nH]c1 ZINC001575931934 950818760 /nfs/dbraw/zinc/81/87/60/950818760.db2.gz JMSHKVSBSHAEHW-SVRRBLITSA-N -1 1 379.837 1.415 20 0 GDADMM CC1(C)CC(CC(=O)NC[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001575633765 950822764 /nfs/dbraw/zinc/82/27/64/950822764.db2.gz WTRQKUYSNXQXAF-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C)CC(CC(=O)NC[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001575633765 950822788 /nfs/dbraw/zinc/82/27/88/950822788.db2.gz WTRQKUYSNXQXAF-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C)c1ccccc1C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573885510 950827295 /nfs/dbraw/zinc/82/72/95/950827295.db2.gz YFJIHHSQTMPAFV-CYBMUJFWSA-N -1 1 392.467 1.963 20 0 GDADMM CC(C)(C)c1ccccc1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573885510 950827321 /nfs/dbraw/zinc/82/73/21/950827321.db2.gz YFJIHHSQTMPAFV-CYBMUJFWSA-N -1 1 392.467 1.963 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cncc(Cl)c1 ZINC001575932290 950828363 /nfs/dbraw/zinc/82/83/63/950828363.db2.gz LOMQZEADJOVCKT-JOYOIKCWSA-N -1 1 385.819 1.420 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cncc(Cl)c1 ZINC001575932290 950828390 /nfs/dbraw/zinc/82/83/90/950828390.db2.gz LOMQZEADJOVCKT-JOYOIKCWSA-N -1 1 385.819 1.420 20 0 GDADMM C[C@H](CN(C)C(=O)c1nc(Cl)cs1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574766844 950828907 /nfs/dbraw/zinc/82/89/07/950828907.db2.gz NAUULIVCUQNDOJ-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CN(C)C(=O)c1nc(Cl)cs1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574766844 950828934 /nfs/dbraw/zinc/82/89/34/950828934.db2.gz NAUULIVCUQNDOJ-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CN(C)C(=O)c1ncccn1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574766866 950829433 /nfs/dbraw/zinc/82/94/33/950829433.db2.gz NMHZTIXPGPWOGC-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CN(C)C(=O)c1ncccn1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574766866 950829455 /nfs/dbraw/zinc/82/94/55/950829455.db2.gz NMHZTIXPGPWOGC-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccc2nccn2c1 ZINC001575932706 950829626 /nfs/dbraw/zinc/82/96/26/950829626.db2.gz LVRUUEZZTARBPE-AAEUAGOBSA-N -1 1 390.411 1.020 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc2nccn2c1 ZINC001575932706 950829649 /nfs/dbraw/zinc/82/96/49/950829649.db2.gz LVRUUEZZTARBPE-AAEUAGOBSA-N -1 1 390.411 1.020 20 0 GDADMM CC(C)CCCC(=O)N1CCO[C@@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574188199 950843404 /nfs/dbraw/zinc/84/34/04/950843404.db2.gz SYPAGHRCTUVBGG-UKRRQHHQSA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)CCCC(=O)N1CCO[C@@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574188199 950843421 /nfs/dbraw/zinc/84/34/21/950843421.db2.gz SYPAGHRCTUVBGG-UKRRQHHQSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CC2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576221215 950845795 /nfs/dbraw/zinc/84/57/95/950845795.db2.gz VBIUFGYNCQYNTC-UWVGGRQHSA-N -1 1 378.387 1.208 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CC2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576221215 950845813 /nfs/dbraw/zinc/84/58/13/950845813.db2.gz VBIUFGYNCQYNTC-UWVGGRQHSA-N -1 1 378.387 1.208 20 0 GDADMM CC(C)(C)c1ocnc1C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573887688 950857704 /nfs/dbraw/zinc/85/77/04/950857704.db2.gz IUXCTHRJMZSNJQ-MGCOHNPYSA-N -1 1 383.416 1.315 20 0 GDADMM CC(C)(C)c1ocnc1C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573887688 950857729 /nfs/dbraw/zinc/85/77/29/950857729.db2.gz IUXCTHRJMZSNJQ-MGCOHNPYSA-N -1 1 383.416 1.315 20 0 GDADMM CC(C)(C)c1ocnc1C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573888165 950864070 /nfs/dbraw/zinc/86/40/70/950864070.db2.gz QGSYGJWOBJNMKW-SNVBAGLBSA-N -1 1 383.416 1.269 20 0 GDADMM CC(C)(C)c1ocnc1C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573888165 950864088 /nfs/dbraw/zinc/86/40/88/950864088.db2.gz QGSYGJWOBJNMKW-SNVBAGLBSA-N -1 1 383.416 1.269 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C(F)F)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576222223 950868410 /nfs/dbraw/zinc/86/84/10/950868410.db2.gz YADNKGPEJIUORG-NXEZZACHSA-N -1 1 380.403 1.454 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C(F)F)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576222223 950868424 /nfs/dbraw/zinc/86/84/24/950868424.db2.gz YADNKGPEJIUORG-NXEZZACHSA-N -1 1 380.403 1.454 20 0 GDADMM CC1(C)C[C@@H](NC(=O)c2ccoc2)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575639418 950870583 /nfs/dbraw/zinc/87/05/83/950870583.db2.gz BGJJKZDAKQUGJT-ZDUSSCGKSA-N -1 1 382.428 1.675 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cc(C2CC2)on1 ZINC001575935442 950875432 /nfs/dbraw/zinc/87/54/32/950875432.db2.gz WLLUPCDQJQUVAF-KOLCDFICSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(C2CC2)on1 ZINC001575935442 950875450 /nfs/dbraw/zinc/87/54/50/950875450.db2.gz WLLUPCDQJQUVAF-KOLCDFICSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H]1CN(C(=O)C2(CF)CCC2)CC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576226835 950892375 /nfs/dbraw/zinc/89/23/75/950892375.db2.gz AZZAJMUWEDDDFF-CHWSQXEVSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@@H]1CN(C(=O)C2(CF)CCC2)CC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576226835 950892380 /nfs/dbraw/zinc/89/23/80/950892380.db2.gz AZZAJMUWEDDDFF-CHWSQXEVSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cnc(C2CC2)o1 ZINC001575935940 950903744 /nfs/dbraw/zinc/90/37/44/950903744.db2.gz CGHQFDHYLFRGBI-ONGXEEELSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cnc(C2CC2)o1 ZINC001575935940 950903761 /nfs/dbraw/zinc/90/37/61/950903761.db2.gz CGHQFDHYLFRGBI-ONGXEEELSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H]1CN(C(=O)C2CCC(F)(F)CC2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576227314 950907713 /nfs/dbraw/zinc/90/77/13/950907713.db2.gz FTPQDBZFOPZMAC-ZWNOBZJWSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H]1CN(C(=O)C2CCC(F)(F)CC2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576227314 950907730 /nfs/dbraw/zinc/90/77/30/950907730.db2.gz FTPQDBZFOPZMAC-ZWNOBZJWSA-N -1 1 392.414 1.741 20 0 GDADMM CC1(C)C[C@@H](NC(=O)c2cc[nH]c2)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575641422 950921299 /nfs/dbraw/zinc/92/12/99/950921299.db2.gz PUFWQUCOHCCXMA-ZDUSSCGKSA-N -1 1 381.444 1.410 20 0 GDADMM CC1(C)C[C@@H](NC(=O)c2cc[nH]c2)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575641422 950921311 /nfs/dbraw/zinc/92/13/11/950921311.db2.gz PUFWQUCOHCCXMA-ZDUSSCGKSA-N -1 1 381.444 1.410 20 0 GDADMM CC(C)CCCC(=O)N[C@]12CCC[C@H]1CN(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001574190774 950923375 /nfs/dbraw/zinc/92/33/75/950923375.db2.gz ASBHRUAGHIDEDB-LIRRHRJNSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CCCC(=O)N[C@]12CCC[C@H]1CN(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001574190774 950923395 /nfs/dbraw/zinc/92/33/95/950923395.db2.gz ASBHRUAGHIDEDB-LIRRHRJNSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CN(C(=O)C2CC3(CC3)C2)CC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576228042 950929404 /nfs/dbraw/zinc/92/94/04/950929404.db2.gz IFZHCLOZGIFOBY-QWHCGFSZSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@H]1CN(C(=O)C2CC3(CC3)C2)CC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576228042 950929419 /nfs/dbraw/zinc/92/94/19/950929419.db2.gz IFZHCLOZGIFOBY-QWHCGFSZSA-N -1 1 382.472 1.743 20 0 GDADMM CC(C)(CC(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C1CC1 ZINC001573895414 950935949 /nfs/dbraw/zinc/93/59/49/950935949.db2.gz AJZABPADCAWGST-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(CC(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C1CC1 ZINC001573895414 950935970 /nfs/dbraw/zinc/93/59/70/950935970.db2.gz AJZABPADCAWGST-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCN1C(=O)Cc1ccc[nH]1 ZINC001575937117 950936052 /nfs/dbraw/zinc/93/60/52/950936052.db2.gz JFCISUKOVPYKNT-WPRPVWTQSA-N -1 1 392.876 1.949 20 0 GDADMM C[C@H]1[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCN1C(=O)Cc1ccc[nH]1 ZINC001575937117 950936068 /nfs/dbraw/zinc/93/60/68/950936068.db2.gz JFCISUKOVPYKNT-WPRPVWTQSA-N -1 1 392.876 1.949 20 0 GDADMM CC1(C)C[C@@H](NC(=O)c2cocn2)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575642573 950944713 /nfs/dbraw/zinc/94/47/13/950944713.db2.gz VWPGLYSJEMSZPR-NSHDSACASA-N -1 1 383.416 1.070 20 0 GDADMM CC1(C)C[C@@H](NC(=O)c2cocn2)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575642573 950944726 /nfs/dbraw/zinc/94/47/26/950944726.db2.gz VWPGLYSJEMSZPR-NSHDSACASA-N -1 1 383.416 1.070 20 0 GDADMM C[C@H]1CN(C(=O)C2(C3CCC3)CCC2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576228610 950949973 /nfs/dbraw/zinc/94/99/73/950949973.db2.gz HWIATKBVUHGJLH-SWLSCSKDSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@H]1CN(C(=O)C2(C3CCC3)CCC2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576228610 950949978 /nfs/dbraw/zinc/94/99/78/950949978.db2.gz HWIATKBVUHGJLH-SWLSCSKDSA-N -1 1 382.472 1.886 20 0 GDADMM CC(C)CCCC(=O)N[C@]12CCC[C@H]1CN(c1nccnc1-c1nnn[n-]1)C2 ZINC001574194439 950955147 /nfs/dbraw/zinc/95/51/47/950955147.db2.gz YDUVGJJPRRMOHU-LIRRHRJNSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CCCC(=O)N[C@]12CCC[C@H]1CN(c1nccnc1-c1nn[n-]n1)C2 ZINC001574194439 950955163 /nfs/dbraw/zinc/95/51/63/950955163.db2.gz YDUVGJJPRRMOHU-LIRRHRJNSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)COC1CCCCC1 ZINC001575937719 950957461 /nfs/dbraw/zinc/95/74/61/950957461.db2.gz LKUXKOFRCVIUCW-JSGCOSHPSA-N -1 1 386.460 1.407 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)COC1CCCCC1 ZINC001575937719 950957476 /nfs/dbraw/zinc/95/74/76/950957476.db2.gz LKUXKOFRCVIUCW-JSGCOSHPSA-N -1 1 386.460 1.407 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)CCOCC2)CC[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576229124 950965797 /nfs/dbraw/zinc/96/57/97/950965797.db2.gz JEXVAERIQIZTJL-OLZOCXBDSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)CCOCC2)CC[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576229124 950965817 /nfs/dbraw/zinc/96/58/17/950965817.db2.gz JEXVAERIQIZTJL-OLZOCXBDSA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)(CC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001573897819 950965974 /nfs/dbraw/zinc/96/59/74/950965974.db2.gz UAAWKZAOWZMEQA-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(CC(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CC1)C(F)(F)F ZINC001573897838 950971711 /nfs/dbraw/zinc/97/17/11/950971711.db2.gz UMXNFWMJHCTGKH-UHFFFAOYSA-N -1 1 384.366 1.696 20 0 GDADMM CC(C)(CC(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CC1)C(F)(F)F ZINC001573897838 950971727 /nfs/dbraw/zinc/97/17/27/950971727.db2.gz UMXNFWMJHCTGKH-UHFFFAOYSA-N -1 1 384.366 1.696 20 0 GDADMM CC(C)(CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1)C(F)(F)F ZINC001573898096 950972139 /nfs/dbraw/zinc/97/21/39/950972139.db2.gz WMQTYALWHVIFBV-UHFFFAOYSA-N -1 1 384.366 1.284 20 0 GDADMM CC(C)(CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1)C(F)(F)F ZINC001573898096 950972158 /nfs/dbraw/zinc/97/21/58/950972158.db2.gz WMQTYALWHVIFBV-UHFFFAOYSA-N -1 1 384.366 1.284 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001573899485 950979215 /nfs/dbraw/zinc/97/92/15/950979215.db2.gz AMNHIMGXFSCPRQ-MCIONIFRSA-N -1 1 382.472 1.709 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001573899485 950979219 /nfs/dbraw/zinc/97/92/19/950979219.db2.gz AMNHIMGXFSCPRQ-MCIONIFRSA-N -1 1 382.472 1.709 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573899840 950989115 /nfs/dbraw/zinc/98/91/15/950989115.db2.gz LJZGPNZFWOQVOH-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573899840 950989129 /nfs/dbraw/zinc/98/91/29/950989129.db2.gz LJZGPNZFWOQVOH-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)c1ccc(C(=O)NC[C@H](C)Nc2nccnc2-c2nnn[n-]2)c(=O)[nH]1 ZINC001575017649 951006182 /nfs/dbraw/zinc/00/61/82/951006182.db2.gz ILBFVUUSQJRPII-JTQLQIEISA-N -1 1 383.416 1.111 20 0 GDADMM CC(C)c1ccc(C(=O)NC[C@H](C)Nc2nccnc2-c2nn[n-]n2)c(=O)[nH]1 ZINC001575017649 951006205 /nfs/dbraw/zinc/00/62/05/951006205.db2.gz ILBFVUUSQJRPII-JTQLQIEISA-N -1 1 383.416 1.111 20 0 GDADMM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(S(C)(=O)=O)cc1 ZINC001575018875 951028490 /nfs/dbraw/zinc/02/84/90/951028490.db2.gz RDEGAJVOHRCZTF-LLVKDONJSA-N -1 1 386.437 1.199 20 0 GDADMM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(S(C)(=O)=O)cc1 ZINC001575018875 951028503 /nfs/dbraw/zinc/02/85/03/951028503.db2.gz RDEGAJVOHRCZTF-LLVKDONJSA-N -1 1 386.437 1.199 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(C)(F)F)cc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575019869 951046468 /nfs/dbraw/zinc/04/64/68/951046468.db2.gz WPODLKYKRBTRGL-JTQLQIEISA-N -1 1 388.382 1.999 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(C)(F)F)cc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575019869 951046479 /nfs/dbraw/zinc/04/64/79/951046479.db2.gz WPODLKYKRBTRGL-JTQLQIEISA-N -1 1 388.382 1.999 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)c(F)c1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575021089 951061928 /nfs/dbraw/zinc/06/19/28/951061928.db2.gz ATIXDWTXSMDCBF-VIFPVBQESA-N -1 1 390.810 1.349 20 0 GDADMM CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)N1CC[C@@](COC)(C(=O)[O-])C1 ZINC001591092155 951063658 /nfs/dbraw/zinc/06/36/58/951063658.db2.gz RGAFWCDIXOXBGP-KZULUSFZSA-N -1 1 398.481 1.983 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)c(F)c1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575023827 951084406 /nfs/dbraw/zinc/08/44/06/951084406.db2.gz QDDQIMPCXSHJNO-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)c(F)c1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575023827 951084417 /nfs/dbraw/zinc/08/44/17/951084417.db2.gz QDDQIMPCXSHJNO-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)cn1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001575024360 951100911 /nfs/dbraw/zinc/10/09/11/951100911.db2.gz BVZRNGQVGWEAIY-ZCFIWIBFSA-N -1 1 382.812 1.741 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)cn1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575024360 951100919 /nfs/dbraw/zinc/10/09/19/951100919.db2.gz BVZRNGQVGWEAIY-ZCFIWIBFSA-N -1 1 382.812 1.741 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575024532 951106332 /nfs/dbraw/zinc/10/63/32/951106332.db2.gz GNZUMOPXXULKMO-LBPRGKRZSA-N -1 1 378.440 1.766 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575024532 951106340 /nfs/dbraw/zinc/10/63/40/951106340.db2.gz GNZUMOPXXULKMO-LBPRGKRZSA-N -1 1 378.440 1.766 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCC=C2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575024783 951115770 /nfs/dbraw/zinc/11/57/70/951115770.db2.gz MOTTYNVOBCQFEG-GFCCVEGCSA-N -1 1 376.424 1.268 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(N(C)C)c(F)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001575024873 951118425 /nfs/dbraw/zinc/11/84/25/951118425.db2.gz OPURYLNZBPZGIX-JTQLQIEISA-N -1 1 385.407 1.092 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(N(C)C)c(F)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001575024873 951118430 /nfs/dbraw/zinc/11/84/30/951118430.db2.gz OPURYLNZBPZGIX-JTQLQIEISA-N -1 1 385.407 1.092 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)cc1Cl)Nc1nccnc1-c1nnn[n-]1 ZINC001575024937 951120684 /nfs/dbraw/zinc/12/06/84/951120684.db2.gz QEKFTCMIHSJAAE-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)cc1Cl)Nc1nccnc1-c1nn[n-]n1 ZINC001575024937 951120695 /nfs/dbraw/zinc/12/06/95/951120695.db2.gz QEKFTCMIHSJAAE-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(Cl)c1F)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575027112 951153426 /nfs/dbraw/zinc/15/34/26/951153426.db2.gz POHCSLWFEWWLCA-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(Cl)c1F)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575027112 951153430 /nfs/dbraw/zinc/15/34/30/951153430.db2.gz POHCSLWFEWWLCA-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CNC(=O)c1ccccc1C1(C)CC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575029586 951186499 /nfs/dbraw/zinc/18/64/99/951186499.db2.gz VXRSNKUFEWJCLK-LBPRGKRZSA-N -1 1 378.440 1.361 20 0 GDADMM C[C@H](CNC(=O)c1cccnc1C1CC1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575031559 951196792 /nfs/dbraw/zinc/19/67/92/951196792.db2.gz CYBORZLMKHMCBW-NSHDSACASA-N -1 1 379.428 1.407 20 0 GDADMM C[C@H](CNC(=O)c1cccnc1C1CC1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575031559 951196801 /nfs/dbraw/zinc/19/68/01/951196801.db2.gz CYBORZLMKHMCBW-NSHDSACASA-N -1 1 379.428 1.407 20 0 GDADMM C[C@@H](CNC(=O)c1ccn(C)n1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575036320 951291934 /nfs/dbraw/zinc/29/19/34/951291934.db2.gz RGVCVLSDWPYXPR-ZETCQYMHSA-N -1 1 381.853 1.188 20 0 GDADMM C[C@@H](CNC(=O)c1ccn(C)n1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575036320 951291948 /nfs/dbraw/zinc/29/19/48/951291948.db2.gz RGVCVLSDWPYXPR-ZETCQYMHSA-N -1 1 381.853 1.188 20 0 GDADMM CN(Cc1ccccc1)C1(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)CCC1 ZINC000386955081 951308124 /nfs/dbraw/zinc/30/81/24/951308124.db2.gz YCWQONOAUPULNS-UHFFFAOYSA-N -1 1 395.525 1.672 20 0 GDADMM CC(C)(C)NC(=O)CN1CCC(CNC(=O)C2(CC(=O)[O-])CCOCC2)CC1 ZINC001602871728 971742486 /nfs/dbraw/zinc/74/24/86/971742486.db2.gz RCSGKUDUUJSNKF-UHFFFAOYSA-N -1 1 397.516 1.001 20 0 GDADMM C[C@H](CNC(=O)c1cnsn1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001575055365 951503818 /nfs/dbraw/zinc/50/38/18/951503818.db2.gz RSDYAPUQFYWZLE-RXMQYKEDSA-N -1 1 385.866 1.083 20 0 GDADMM C[C@H](CNC(=O)c1cnsn1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001575055365 951503826 /nfs/dbraw/zinc/50/38/26/951503826.db2.gz RSDYAPUQFYWZLE-RXMQYKEDSA-N -1 1 385.866 1.083 20 0 GDADMM C[C@H](CNC(=O)c1coc(C2CCC2)n1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575058966 951537082 /nfs/dbraw/zinc/53/70/82/951537082.db2.gz XDAQWVXTTLSONI-JTQLQIEISA-N -1 1 383.416 1.390 20 0 GDADMM C[C@H](CNC(=O)c1coc(C2CCC2)n1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575058966 951537092 /nfs/dbraw/zinc/53/70/92/951537092.db2.gz XDAQWVXTTLSONI-JTQLQIEISA-N -1 1 383.416 1.390 20 0 GDADMM C[C@@H](CNC(=O)c1cscc1Cl)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575060577 951542759 /nfs/dbraw/zinc/54/27/59/951542759.db2.gz ABVOAUNSVDEFNS-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@@H](CNC(=O)c1cscc1Cl)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575060577 951542767 /nfs/dbraw/zinc/54/27/67/951542767.db2.gz ABVOAUNSVDEFNS-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@@H](CNC(=O)c1nc(C(C)(C)C)cs1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575060767 951547645 /nfs/dbraw/zinc/54/76/45/951547645.db2.gz GEOASOKVUUONJT-VIFPVBQESA-N -1 1 387.473 1.063 20 0 GDADMM C[C@H](CNC(=O)c1cscc1C(F)F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575060890 951552886 /nfs/dbraw/zinc/55/28/86/951552886.db2.gz JAMKSFRNHPASPF-SSDOTTSWSA-N -1 1 380.384 1.886 20 0 GDADMM C[C@H](CNC(=O)c1cscc1C(F)F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575060890 951552897 /nfs/dbraw/zinc/55/28/97/951552897.db2.gz JAMKSFRNHPASPF-SSDOTTSWSA-N -1 1 380.384 1.886 20 0 GDADMM C[C@H](CNC(=O)c1nc(C(C)(C)C)cs1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575061252 951554832 /nfs/dbraw/zinc/55/48/32/951554832.db2.gz MAJYDMNVXHZPEE-SECBINFHSA-N -1 1 387.473 1.641 20 0 GDADMM C[C@H](CNC(=O)c1nc(C(C)(C)C)cs1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575061252 951554841 /nfs/dbraw/zinc/55/48/41/951554841.db2.gz MAJYDMNVXHZPEE-SECBINFHSA-N -1 1 387.473 1.641 20 0 GDADMM C[C@H](CNC(=O)c1csnn1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575061560 951556923 /nfs/dbraw/zinc/55/69/23/951556923.db2.gz NJVXYWIDXGZOCT-RXMQYKEDSA-N -1 1 385.866 1.083 20 0 GDADMM C[C@H](CNC(=O)c1csnn1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575061560 951556938 /nfs/dbraw/zinc/55/69/38/951556938.db2.gz NJVXYWIDXGZOCT-RXMQYKEDSA-N -1 1 385.866 1.083 20 0 GDADMM C[C@H](CNC(=O)c1n[nH]cc1F)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575061580 951558511 /nfs/dbraw/zinc/55/85/11/951558511.db2.gz NPXFCXSEDXEKCS-RXMQYKEDSA-N -1 1 385.816 1.317 20 0 GDADMM C[C@H](CNC(=O)c1n[nH]cc1F)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575061580 951558526 /nfs/dbraw/zinc/55/85/26/951558526.db2.gz NPXFCXSEDXEKCS-RXMQYKEDSA-N -1 1 385.816 1.317 20 0 GDADMM C[C@@H](CNC(=O)c1ncoc1C(C)(C)C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575068288 951634907 /nfs/dbraw/zinc/63/49/07/951634907.db2.gz ZLURKQKUDKOUCD-JTQLQIEISA-N -1 1 385.432 1.197 20 0 GDADMM C[C@@H](CNC(=O)c1ncoc1C(C)(C)C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575068288 951634912 /nfs/dbraw/zinc/63/49/12/951634912.db2.gz ZLURKQKUDKOUCD-JTQLQIEISA-N -1 1 385.432 1.197 20 0 GDADMM C[C@@H](CNC(=O)c1sccc1C1CC1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575070161 951649247 /nfs/dbraw/zinc/64/92/47/951649247.db2.gz OMTGRNIVMOIQTK-JTQLQIEISA-N -1 1 384.469 1.850 20 0 GDADMM C[C@@H](CNC(=O)c1sccc1C1CC1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575070161 951649251 /nfs/dbraw/zinc/64/92/51/951649251.db2.gz OMTGRNIVMOIQTK-JTQLQIEISA-N -1 1 384.469 1.850 20 0 GDADMM C[C@H](CNC(=O)c1sccc1C(F)F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575070614 951652483 /nfs/dbraw/zinc/65/24/83/951652483.db2.gz SOAVCSLPWWEUBK-SSDOTTSWSA-N -1 1 380.384 1.308 20 0 GDADMM O=C([O-])CN1CC[C@@H](N[C@H](CCO)c2cccc(OC(F)(F)F)c2)C1=O ZINC001595079681 951669883 /nfs/dbraw/zinc/66/98/83/951669883.db2.gz RNVXYUYLQSIIRX-CHWSQXEVSA-N -1 1 376.331 1.284 20 0 GDADMM O=C([O-])Cn1cc(C(=O)N2CCc3nc[nH]c3[C@H]2c2ccc(Cl)cc2)nn1 ZINC001595142158 952089092 /nfs/dbraw/zinc/08/90/92/952089092.db2.gz IGDDLNMAFCQJSX-MRXNPFEDSA-N -1 1 386.799 1.527 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1csc(Cl)n1 ZINC001575133220 952101639 /nfs/dbraw/zinc/10/16/39/952101639.db2.gz CNOKQRDLQFLSKB-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1csc(Cl)n1 ZINC001575133220 952101645 /nfs/dbraw/zinc/10/16/45/952101645.db2.gz CNOKQRDLQFLSKB-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)[C@H]1Cc2ccccc21)C1CC1 ZINC001575134496 952111178 /nfs/dbraw/zinc/11/11/78/952111178.db2.gz INZHLKIWEFVUCJ-MGPUTAFESA-N -1 1 390.451 1.115 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)CN(C)c1ccccc1 ZINC001575134716 952112744 /nfs/dbraw/zinc/11/27/44/952112744.db2.gz OMITZMWZOHUASH-ZDUSSCGKSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)CN(C)c1ccccc1 ZINC001575134716 952112747 /nfs/dbraw/zinc/11/27/47/952112747.db2.gz OMITZMWZOHUASH-ZDUSSCGKSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ccc2ccccc2n1 ZINC001575134746 952114271 /nfs/dbraw/zinc/11/42/71/952114271.db2.gz OWPYXAQAMSOHFF-GFCCVEGCSA-N -1 1 389.423 1.778 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ccc2ccccc2n1 ZINC001575134746 952114276 /nfs/dbraw/zinc/11/42/76/952114276.db2.gz OWPYXAQAMSOHFF-GFCCVEGCSA-N -1 1 389.423 1.778 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575141503 952144662 /nfs/dbraw/zinc/14/46/62/952144662.db2.gz HPTOGGAJTJNJPR-KGLIPLIRSA-N -1 1 380.456 1.216 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)CC1(C(F)(F)F)CC1 ZINC001575143366 952150846 /nfs/dbraw/zinc/15/08/46/952150846.db2.gz PAAWNZWQBYTDRQ-VIFPVBQESA-N -1 1 384.366 1.070 20 0 GDADMM CC(C)(C)OC(=O)N1CCO[C@@](C(=O)[O-])(C(=O)Nc2ccc3cncn3c2)C1 ZINC001602893416 971811155 /nfs/dbraw/zinc/81/11/55/971811155.db2.gz VUIABQBQVPRLHF-GOSISDBHSA-N -1 1 390.396 1.364 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)Cc1ccc2c[nH]nc2c1 ZINC001575153305 952207937 /nfs/dbraw/zinc/20/79/37/952207937.db2.gz GDOGDRQAHRCODD-LLVKDONJSA-N -1 1 392.427 1.035 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)Cc1ccc2c[nH]nc2c1 ZINC001575153305 952207942 /nfs/dbraw/zinc/20/79/42/952207942.db2.gz GDOGDRQAHRCODD-LLVKDONJSA-N -1 1 392.427 1.035 20 0 GDADMM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC001595169265 952218865 /nfs/dbraw/zinc/21/88/65/952218865.db2.gz LURLYMBHPPUNSU-IRXDYDNUSA-N -1 1 381.498 1.597 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cccnc1C1CC1 ZINC001575155568 952241941 /nfs/dbraw/zinc/24/19/41/952241941.db2.gz NMCKPQDEZDZVSD-NSHDSACASA-N -1 1 379.428 1.502 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cccnc1C1CC1 ZINC001575155568 952241946 /nfs/dbraw/zinc/24/19/46/952241946.db2.gz NMCKPQDEZDZVSD-NSHDSACASA-N -1 1 379.428 1.502 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cscc1Cl ZINC001575155781 952244054 /nfs/dbraw/zinc/24/40/54/952244054.db2.gz AHAPSLYAPOWODI-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cscc1Cl ZINC001575155781 952244060 /nfs/dbraw/zinc/24/40/60/952244060.db2.gz AHAPSLYAPOWODI-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)[C@H]1CCCOCC1)C1CC1 ZINC001575156231 952249989 /nfs/dbraw/zinc/24/99/89/952249989.db2.gz RBZGOSAJVWNAAM-SGTLLEGYSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)[C@H]1CCCOCC1)C1CC1 ZINC001575156231 952249995 /nfs/dbraw/zinc/24/99/95/952249995.db2.gz RBZGOSAJVWNAAM-SGTLLEGYSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC001575156294 952251884 /nfs/dbraw/zinc/25/18/84/952251884.db2.gz SIKZEHDNVLXHLA-PZLGEANOSA-N -1 1 390.451 1.501 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC001575156294 952251889 /nfs/dbraw/zinc/25/18/89/952251889.db2.gz SIKZEHDNVLXHLA-PZLGEANOSA-N -1 1 390.451 1.501 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001575156296 952252046 /nfs/dbraw/zinc/25/20/46/952252046.db2.gz SIKZEHDNVLXHLA-VUYXQBRFSA-N -1 1 390.451 1.501 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001575156296 952252053 /nfs/dbraw/zinc/25/20/53/952252053.db2.gz SIKZEHDNVLXHLA-VUYXQBRFSA-N -1 1 390.451 1.501 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cnn(C(C)(C)C)c1 ZINC001575156945 952259836 /nfs/dbraw/zinc/25/98/36/952259836.db2.gz JCZLKXHRPKKWPA-LLVKDONJSA-N -1 1 384.448 1.181 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cnn(C(C)(C)C)c1 ZINC001575156945 952259838 /nfs/dbraw/zinc/25/98/38/952259838.db2.gz JCZLKXHRPKKWPA-LLVKDONJSA-N -1 1 384.448 1.181 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1ccc2c(c1)CCC2 ZINC001575158416 952271998 /nfs/dbraw/zinc/27/19/98/952271998.db2.gz VBGIAGPICUKGAZ-LBPRGKRZSA-N -1 1 378.440 1.718 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc2c(c1)CCC2 ZINC001575158416 952272006 /nfs/dbraw/zinc/27/20/06/952272006.db2.gz VBGIAGPICUKGAZ-LBPRGKRZSA-N -1 1 378.440 1.718 20 0 GDADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)c1ncccn1 ZINC001575165105 952303834 /nfs/dbraw/zinc/30/38/34/952303834.db2.gz LEDQIVFSSAOBDT-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)C1=COCCO1 ZINC001575166414 952325620 /nfs/dbraw/zinc/32/56/20/952325620.db2.gz VYZXCQNPKHVGBI-ZETCQYMHSA-N -1 1 385.837 1.124 20 0 GDADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)C=Cc1ccco1)C1CC1 ZINC001575174221 952368642 /nfs/dbraw/zinc/36/86/42/952368642.db2.gz JWJFFPYVICFAPT-HPFMTEOYSA-N -1 1 380.412 1.660 20 0 GDADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)C=Cc1ccco1)C1CC1 ZINC001575174221 952368651 /nfs/dbraw/zinc/36/86/51/952368651.db2.gz JWJFFPYVICFAPT-HPFMTEOYSA-N -1 1 380.412 1.660 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(CCS(=O)(=O)CC(=O)[O-])C[C@H]21 ZINC001602902608 971827095 /nfs/dbraw/zinc/82/70/95/971827095.db2.gz DILMSHZMZVAADS-BFHYXJOUSA-N -1 1 390.502 1.111 20 0 GDADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)C[C@H]1CCCCO1)C1CC1 ZINC001575174506 952373389 /nfs/dbraw/zinc/37/33/89/952373389.db2.gz PUFIUTSLUNKPBG-ACJLOTCBSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)C[C@H]1CCCCO1)C1CC1 ZINC001575174506 952373398 /nfs/dbraw/zinc/37/33/98/952373398.db2.gz PUFIUTSLUNKPBG-ACJLOTCBSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)[C@@H]1CCCC12CC2)C1CC1 ZINC001575175591 952387266 /nfs/dbraw/zinc/38/72/66/952387266.db2.gz WYKAZLIUPJSODK-UGSOOPFHSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)[C@@H]1CCCC12CC2)C1CC1 ZINC001575175591 952387274 /nfs/dbraw/zinc/38/72/74/952387274.db2.gz WYKAZLIUPJSODK-UGSOOPFHSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)c1ccoc1Cl)C1CC1 ZINC001575175809 952388762 /nfs/dbraw/zinc/38/87/62/952388762.db2.gz YQWIACSFBOAFOS-MRXNPFEDSA-N -1 1 388.819 1.914 20 0 GDADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)c1ccoc1Cl)C1CC1 ZINC001575175809 952388769 /nfs/dbraw/zinc/38/87/69/952388769.db2.gz YQWIACSFBOAFOS-MRXNPFEDSA-N -1 1 388.819 1.914 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cnc2ccccc2n1 ZINC001575180974 952421597 /nfs/dbraw/zinc/42/15/97/952421597.db2.gz YZHMUWDSLZKHJS-NSHDSACASA-N -1 1 390.411 1.173 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cnc2ccccc2n1 ZINC001575180974 952421602 /nfs/dbraw/zinc/42/16/02/952421602.db2.gz YZHMUWDSLZKHJS-NSHDSACASA-N -1 1 390.411 1.173 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N(C)CCCN(C)c1nccnc1-c1nnn[n-]1 ZINC001575189743 952459214 /nfs/dbraw/zinc/45/92/14/952459214.db2.gz PUVPOKRNDDTHJM-ZDUSSCGKSA-N -1 1 384.444 1.413 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N(C)CCCN(C)c1nccnc1-c1nn[n-]n1 ZINC001575189743 952459217 /nfs/dbraw/zinc/45/92/17/952459217.db2.gz PUVPOKRNDDTHJM-ZDUSSCGKSA-N -1 1 384.444 1.413 20 0 GDADMM CC(C)COC[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)c1ccco1 ZINC001571115305 952464791 /nfs/dbraw/zinc/46/47/91/952464791.db2.gz UKOKLSXFEYBUOS-SNVBAGLBSA-N -1 1 375.389 1.085 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575191164 952467179 /nfs/dbraw/zinc/46/71/79/952467179.db2.gz XMBJSLRWBSRVDR-OLZOCXBDSA-N -1 1 382.428 1.166 20 0 GDADMM Cc1nsc(N[C@@H]2CN(C(=O)CC(F)(F)F)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571115517 952467585 /nfs/dbraw/zinc/46/75/85/952467585.db2.gz XKUXACRJTFOITH-HTRCEHHLSA-N -1 1 375.380 1.843 20 0 GDADMM C[C@H](Cc1cccc(F)c1)C(=O)NCCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575191734 952468812 /nfs/dbraw/zinc/46/88/12/952468812.db2.gz YMQCONPIZFVFBE-GFCCVEGCSA-N -1 1 384.419 1.227 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001575196235 952475438 /nfs/dbraw/zinc/47/54/38/952475438.db2.gz GCDKCLWTKWJXKA-LBPRGKRZSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001575196235 952475442 /nfs/dbraw/zinc/47/54/42/952475442.db2.gz GCDKCLWTKWJXKA-LBPRGKRZSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575197375 952483575 /nfs/dbraw/zinc/48/35/75/952483575.db2.gz VBCVCNGXMAFTSL-RWMBFGLXSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575197375 952483579 /nfs/dbraw/zinc/48/35/79/952483579.db2.gz VBCVCNGXMAFTSL-RWMBFGLXSA-N -1 1 382.428 1.435 20 0 GDADMM COc1ncc(NC(=O)CSc2nncn2C(C)C)cc1-c1nn[n-]n1 ZINC001571118057 952485620 /nfs/dbraw/zinc/48/56/20/952485620.db2.gz TWWYDFNEXWNASD-UHFFFAOYSA-N -1 1 375.418 1.174 20 0 GDADMM O=C(NC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1)[C@@H]1Cc2ccccc21 ZINC001571119566 952492463 /nfs/dbraw/zinc/49/24/63/952492463.db2.gz CRAJLNSUZNLDOU-DZGCQCFKSA-N -1 1 376.424 1.082 20 0 GDADMM O=C(NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1)[C@@H]1Cc2ccccc21 ZINC001571119566 952492468 /nfs/dbraw/zinc/49/24/68/952492468.db2.gz CRAJLNSUZNLDOU-DZGCQCFKSA-N -1 1 376.424 1.082 20 0 GDADMM CC(C)(C)OC(=O)NC[C@](C)(NC(=O)c1coc(-c2nnn[n-]2)c1)C1CC1 ZINC001571121048 952513438 /nfs/dbraw/zinc/51/34/38/952513438.db2.gz VNIAJHABFMUPHZ-KRWDZBQOSA-N -1 1 376.417 1.883 20 0 GDADMM CC(C)(C)OC(=O)NC[C@](C)(NC(=O)c1coc(-c2nn[n-]n2)c1)C1CC1 ZINC001571121048 952513443 /nfs/dbraw/zinc/51/34/43/952513443.db2.gz VNIAJHABFMUPHZ-KRWDZBQOSA-N -1 1 376.417 1.883 20 0 GDADMM CC(C)[C@@H](F)C(=O)N1CCC[C@H](CN(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571121953 952523687 /nfs/dbraw/zinc/52/36/87/952523687.db2.gz GGBGGRWOWNMTHC-IUODEOHRSA-N -1 1 376.440 1.326 20 0 GDADMM CC(C)[C@@H](F)C(=O)N1CCC[C@H](CN(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571121953 952523695 /nfs/dbraw/zinc/52/36/95/952523695.db2.gz GGBGGRWOWNMTHC-IUODEOHRSA-N -1 1 376.440 1.326 20 0 GDADMM CS[C@@H](C)C(=O)N1CCCCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571122348 952525024 /nfs/dbraw/zinc/52/50/24/952525024.db2.gz IUWRHLIQOTWEBT-NWDGAFQWSA-N -1 1 376.490 1.591 20 0 GDADMM CS[C@@H](C)C(=O)N1CCCCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571122348 952525029 /nfs/dbraw/zinc/52/50/29/952525029.db2.gz IUWRHLIQOTWEBT-NWDGAFQWSA-N -1 1 376.490 1.591 20 0 GDADMM O=S(=O)(N[C@@H]1CCc2ccc(Cl)cc21)c1cccnc1-c1nn[n-]n1 ZINC001571122759 952526615 /nfs/dbraw/zinc/52/66/15/952526615.db2.gz KAUAQWBXXCMECX-GFCCVEGCSA-N -1 1 376.829 1.881 20 0 GDADMM O=C(c1cscc1Cl)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571123067 952527710 /nfs/dbraw/zinc/52/77/10/952527710.db2.gz NGAZXAJUCRNPAK-MRVPVSSYSA-N -1 1 376.833 1.698 20 0 GDADMM O=C(c1cscc1Cl)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571123067 952527713 /nfs/dbraw/zinc/52/77/13/952527713.db2.gz NGAZXAJUCRNPAK-MRVPVSSYSA-N -1 1 376.833 1.698 20 0 GDADMM Cc1nsc(N[C@H]2CCN(C(=O)C[C@](C)(O)C3CC3)C2)c1-c1nn[n-]n1 ZINC001571127535 952556850 /nfs/dbraw/zinc/55/68/50/952556850.db2.gz HFLAMHSAHSNSFA-ZBEGNZNMSA-N -1 1 377.474 1.196 20 0 GDADMM Cc1nsc(NC[C@]2(C)CCN(C(=O)[C@H]3CCCO3)C2)c1-c1nn[n-]n1 ZINC001571127851 952560297 /nfs/dbraw/zinc/56/02/97/952560297.db2.gz KRQYEDGBSZCVGB-BZNIZROVSA-N -1 1 377.474 1.461 20 0 GDADMM Cc1nsc(N[C@@H]2CN(C(=O)c3csnn3)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571127861 952561020 /nfs/dbraw/zinc/56/10/20/952561020.db2.gz KVARSINLTKIRJU-HTRCEHHLSA-N -1 1 377.459 1.056 20 0 GDADMM Cc1nsc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CCO[C@H](C)C3)C2)c1-c1nn[n-]n1 ZINC001571128410 952567465 /nfs/dbraw/zinc/56/74/65/952567465.db2.gz SYFYTYKLGBCUIN-HKWIRBFKSA-N -1 1 377.474 1.506 20 0 GDADMM O=C(NC[C@@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCC1(F)F ZINC001571129174 952573152 /nfs/dbraw/zinc/57/31/52/952573152.db2.gz AVOCTTZEKCVCQQ-WDEREUQCSA-N -1 1 378.387 1.177 20 0 GDADMM O=C(NC[C@@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCC1(F)F ZINC001571129174 952573157 /nfs/dbraw/zinc/57/31/57/952573157.db2.gz AVOCTTZEKCVCQQ-WDEREUQCSA-N -1 1 378.387 1.177 20 0 GDADMM O=C(N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CCC(F)(F)CC1 ZINC001571129350 952574033 /nfs/dbraw/zinc/57/40/33/952574033.db2.gz CUFJLTOFYYGCPT-NSHDSACASA-N -1 1 378.387 1.177 20 0 GDADMM O=C(N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CCC(F)(F)CC1 ZINC001571129350 952574035 /nfs/dbraw/zinc/57/40/35/952574035.db2.gz CUFJLTOFYYGCPT-NSHDSACASA-N -1 1 378.387 1.177 20 0 GDADMM O=C(C[C@@H]1CCCC1(F)F)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571129532 952574905 /nfs/dbraw/zinc/57/49/05/952574905.db2.gz GIJPJTFVIFQINP-NSHDSACASA-N -1 1 378.387 1.131 20 0 GDADMM O=C(C[C@@H]1CCCC1(F)F)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571129532 952574910 /nfs/dbraw/zinc/57/49/10/952574910.db2.gz GIJPJTFVIFQINP-NSHDSACASA-N -1 1 378.387 1.131 20 0 GDADMM O=C([C@H]1CCC1(F)F)N1CCC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571130730 952581539 /nfs/dbraw/zinc/58/15/39/952581539.db2.gz VSEBBRMVSRJTGW-GHMZBOCLSA-N -1 1 378.387 1.353 20 0 GDADMM O=C([C@H]1CCC1(F)F)N1CCC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571130730 952581542 /nfs/dbraw/zinc/58/15/42/952581542.db2.gz VSEBBRMVSRJTGW-GHMZBOCLSA-N -1 1 378.387 1.353 20 0 GDADMM CN(c1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)C2(C(C)(F)F)CC2)C1 ZINC001571130933 952582418 /nfs/dbraw/zinc/58/24/18/952582418.db2.gz YWOADHKEGWONOC-SNVBAGLBSA-N -1 1 378.387 1.129 20 0 GDADMM O=C(N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C1(C(F)F)CCC1 ZINC001571130759 952582489 /nfs/dbraw/zinc/58/24/89/952582489.db2.gz WUXIKQWEPCFGRS-UHFFFAOYSA-N -1 1 378.387 1.131 20 0 GDADMM O=C([C@H]1CC1(F)F)N1CCCC[C@@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001571130887 952582580 /nfs/dbraw/zinc/58/25/80/952582580.db2.gz XSHLGHWKRMYTTI-GHMZBOCLSA-N -1 1 378.387 1.495 20 0 GDADMM O=C([C@H]1CC1(F)F)N1CCCC[C@@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001571130887 952582584 /nfs/dbraw/zinc/58/25/84/952582584.db2.gz XSHLGHWKRMYTTI-GHMZBOCLSA-N -1 1 378.387 1.495 20 0 GDADMM O=C(C[C@H]1CCCC1(F)F)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571130920 952582768 /nfs/dbraw/zinc/58/27/68/952582768.db2.gz YMBYKFYPVPNVNM-MNOVXSKESA-N -1 1 378.387 1.495 20 0 GDADMM O=C(C[C@H]1CCCC1(F)F)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571130920 952582770 /nfs/dbraw/zinc/58/27/70/952582770.db2.gz YMBYKFYPVPNVNM-MNOVXSKESA-N -1 1 378.387 1.495 20 0 GDADMM CCc1ccccc1C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571134144 952586490 /nfs/dbraw/zinc/58/64/90/952586490.db2.gz AYMAYNCYOOMZRS-AWEZNQCLSA-N -1 1 378.440 1.618 20 0 GDADMM CCc1ccccc1C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571134144 952586495 /nfs/dbraw/zinc/58/64/95/952586495.db2.gz AYMAYNCYOOMZRS-AWEZNQCLSA-N -1 1 378.440 1.618 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)[C@H]2C)cc1 ZINC001571134205 952587249 /nfs/dbraw/zinc/58/72/49/952587249.db2.gz GEQVXMAZGODICT-DZGCQCFKSA-N -1 1 378.440 1.752 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)[C@H]2C)cc1 ZINC001571134205 952587252 /nfs/dbraw/zinc/58/72/52/952587252.db2.gz GEQVXMAZGODICT-DZGCQCFKSA-N -1 1 378.440 1.752 20 0 GDADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H]1CCN(C(=O)C2C=CC=CC=C2)C1 ZINC001571134233 952587785 /nfs/dbraw/zinc/58/77/85/952587785.db2.gz COILLKGSXCXSJB-ZFWWWQNUSA-N -1 1 378.440 1.604 20 0 GDADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)C2C=CC=CC=C2)C1 ZINC001571134233 952587787 /nfs/dbraw/zinc/58/77/87/952587787.db2.gz COILLKGSXCXSJB-ZFWWWQNUSA-N -1 1 378.440 1.604 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)Cc3ccccc3)[C@H]2C)n1 ZINC001571134787 952594921 /nfs/dbraw/zinc/59/49/21/952594921.db2.gz LMJUDAOWIOYFHQ-ZFWWWQNUSA-N -1 1 378.440 1.609 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)Cc3ccccc3)[C@H]2C)n1 ZINC001571134787 952594923 /nfs/dbraw/zinc/59/49/23/952594923.db2.gz LMJUDAOWIOYFHQ-ZFWWWQNUSA-N -1 1 378.440 1.609 20 0 GDADMM Cc1cccc(C(=O)N2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C[C@@H]2C)c1C ZINC001571134840 952596613 /nfs/dbraw/zinc/59/66/13/952596613.db2.gz OHNYAOBBKSFHQW-JSGCOSHPSA-N -1 1 378.440 1.989 20 0 GDADMM Cc1cccc(C(=O)N2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C[C@@H]2C)c1C ZINC001571134840 952596615 /nfs/dbraw/zinc/59/66/15/952596615.db2.gz OHNYAOBBKSFHQW-JSGCOSHPSA-N -1 1 378.440 1.989 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C)c1ccccc1 ZINC001571134905 952597286 /nfs/dbraw/zinc/59/72/86/952597286.db2.gz NCSWXMNCDDJEKT-GUTXKFCHSA-N -1 1 378.440 1.544 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C)c1ccccc1 ZINC001571134905 952597289 /nfs/dbraw/zinc/59/72/89/952597289.db2.gz NCSWXMNCDDJEKT-GUTXKFCHSA-N -1 1 378.440 1.544 20 0 GDADMM Cc1cccc([C@H](C)C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571135278 952601310 /nfs/dbraw/zinc/60/13/10/952601310.db2.gz UXTLYFZNUNWXPL-AEGPPILISA-N -1 1 378.440 1.828 20 0 GDADMM Cc1cccc([C@H](C)C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571135278 952601314 /nfs/dbraw/zinc/60/13/14/952601314.db2.gz UXTLYFZNUNWXPL-AEGPPILISA-N -1 1 378.440 1.828 20 0 GDADMM Cc1cccc(C(=O)N2CCC[C@@H](N(C)c3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571135467 952604633 /nfs/dbraw/zinc/60/46/33/952604633.db2.gz YGPVCEWLYBVBSE-OAHLLOKOSA-N -1 1 378.440 1.706 20 0 GDADMM Cc1cccc(C(=O)N2CCC[C@@H](N(C)c3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571135467 952604638 /nfs/dbraw/zinc/60/46/38/952604638.db2.gz YGPVCEWLYBVBSE-OAHLLOKOSA-N -1 1 378.440 1.706 20 0 GDADMM Cc1cccc(C(=O)N[C@@H]2CC[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571135501 952604992 /nfs/dbraw/zinc/60/49/92/952604992.db2.gz ZEFJMWYRZFWXAD-UKRRQHHQSA-N -1 1 378.440 1.976 20 0 GDADMM Cc1cccc(C(=O)N[C@@H]2CC[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571135501 952604993 /nfs/dbraw/zinc/60/49/93/952604993.db2.gz ZEFJMWYRZFWXAD-UKRRQHHQSA-N -1 1 378.440 1.976 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1c[nH]cc1C1CC1 ZINC001571146059 952647305 /nfs/dbraw/zinc/64/73/05/952647305.db2.gz BCTSAWVCTIPOFJ-KLPPZKSPSA-N -1 1 379.428 1.483 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1c[nH]cc1C1CC1 ZINC001571146059 952647309 /nfs/dbraw/zinc/64/73/09/952647309.db2.gz BCTSAWVCTIPOFJ-KLPPZKSPSA-N -1 1 379.428 1.483 20 0 GDADMM O=C(Cc1cccnc1)N1CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571146641 952651616 /nfs/dbraw/zinc/65/16/16/952651616.db2.gz KQSKUEYRKKTUCD-AWEZNQCLSA-N -1 1 379.428 1.087 20 0 GDADMM O=C(Cc1cccnc1)N1CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571146641 952651617 /nfs/dbraw/zinc/65/16/17/952651617.db2.gz KQSKUEYRKKTUCD-AWEZNQCLSA-N -1 1 379.428 1.087 20 0 GDADMM O=C(CCc1ccccn1)N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571147047 952656645 /nfs/dbraw/zinc/65/66/45/952656645.db2.gz RAJVDMVQKSLXIH-AWEZNQCLSA-N -1 1 379.428 1.087 20 0 GDADMM O=C(CCc1ccccn1)N1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571147047 952656650 /nfs/dbraw/zinc/65/66/50/952656650.db2.gz RAJVDMVQKSLXIH-AWEZNQCLSA-N -1 1 379.428 1.087 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](NC(=O)c3ccncc3)[C@H]2C)n1 ZINC001571147399 952661043 /nfs/dbraw/zinc/66/10/43/952661043.db2.gz LZQLDQQBFYNXKD-OCCSQVGLSA-N -1 1 379.428 1.147 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](NC(=O)c3ccncc3)[C@H]2C)n1 ZINC001571147399 952661045 /nfs/dbraw/zinc/66/10/45/952661045.db2.gz LZQLDQQBFYNXKD-OCCSQVGLSA-N -1 1 379.428 1.147 20 0 GDADMM CC(C)c1[nH]ccc1C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1 ZINC001571148209 952665572 /nfs/dbraw/zinc/66/55/72/952665572.db2.gz VOGWIIASJMNZRZ-RYUDHWBXSA-N -1 1 379.428 1.212 20 0 GDADMM CC(C)c1[nH]ccc1C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1 ZINC001571148209 952665575 /nfs/dbraw/zinc/66/55/75/952665575.db2.gz VOGWIIASJMNZRZ-RYUDHWBXSA-N -1 1 379.428 1.212 20 0 GDADMM CCc1cccnc1C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571148059 952665841 /nfs/dbraw/zinc/66/58/41/952665841.db2.gz UEJVPGHVEQAHKN-BXUZGUMPSA-N -1 1 379.428 1.187 20 0 GDADMM CCc1cccnc1C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571148059 952665843 /nfs/dbraw/zinc/66/58/43/952665843.db2.gz UEJVPGHVEQAHKN-BXUZGUMPSA-N -1 1 379.428 1.187 20 0 GDADMM CCC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)c2cccnc2)CC1 ZINC001571148261 952666245 /nfs/dbraw/zinc/66/62/45/952666245.db2.gz XENWLYVPFOTOHV-UHFFFAOYSA-N -1 1 379.428 1.549 20 0 GDADMM CCC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)c2cccnc2)CC1 ZINC001571148261 952666247 /nfs/dbraw/zinc/66/62/47/952666247.db2.gz XENWLYVPFOTOHV-UHFFFAOYSA-N -1 1 379.428 1.549 20 0 GDADMM C[C@@H]1CN(C(=O)c2c[nH]cc2C2CC2)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571148271 952666322 /nfs/dbraw/zinc/66/63/22/952666322.db2.gz XUHQBWXXLSNULV-QMTHXVAHSA-N -1 1 379.428 1.435 20 0 GDADMM C[C@@H]1CN(C(=O)c2c[nH]cc2C2CC2)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571148271 952666324 /nfs/dbraw/zinc/66/63/24/952666324.db2.gz XUHQBWXXLSNULV-QMTHXVAHSA-N -1 1 379.428 1.435 20 0 GDADMM COc1cc(Br)c(CNc2n[nH]cc2-c2nnn[n-]2)c(OC)c1 ZINC001571152041 952681014 /nfs/dbraw/zinc/68/10/14/952681014.db2.gz BNRZGJWHRWHVRE-UHFFFAOYSA-N -1 1 380.206 1.982 20 0 GDADMM COc1cc(Br)c(CNc2n[nH]cc2-c2nn[n-]n2)c(OC)c1 ZINC001571152041 952681018 /nfs/dbraw/zinc/68/10/18/952681018.db2.gz BNRZGJWHRWHVRE-UHFFFAOYSA-N -1 1 380.206 1.982 20 0 GDADMM CO[C@@H](C(=O)N1CC[C@@H](N(C)c2snc(C)c2-c2nn[n-]n2)C1)C(C)C ZINC001571152659 952682915 /nfs/dbraw/zinc/68/29/15/952682915.db2.gz JJAWURUJPRUNAS-DGCLKSJQSA-N -1 1 379.490 1.340 20 0 GDADMM CC(C)c1occc1C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571155185 952693534 /nfs/dbraw/zinc/69/35/34/952693534.db2.gz KADRQXIRQGRTJU-IMRBUKKESA-N -1 1 380.412 1.238 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)c1ccco1 ZINC001571155261 952694458 /nfs/dbraw/zinc/69/44/58/952694458.db2.gz MBNNKOAOWCFNSU-UPJWGTAASA-N -1 1 380.412 1.233 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571155257 952695018 /nfs/dbraw/zinc/69/50/18/952695018.db2.gz LYSUWSQLXJKKEC-UHFFFAOYSA-N -1 1 380.403 1.377 20 0 GDADMM Cc1cncc(C(=O)N2CCC[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)c1 ZINC001571156608 952702436 /nfs/dbraw/zinc/70/24/36/952702436.db2.gz DXJJAJYUUGDWCM-AWEZNQCLSA-N -1 1 379.428 1.385 20 0 GDADMM Cc1cncc(C(=O)N2CCC[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)c1 ZINC001571156608 952702443 /nfs/dbraw/zinc/70/24/43/952702443.db2.gz DXJJAJYUUGDWCM-AWEZNQCLSA-N -1 1 379.428 1.385 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@]3(NC(=O)c4ccoc4)CCC[C@@H]23)n1 ZINC001571157872 952707979 /nfs/dbraw/zinc/70/79/79/952707979.db2.gz BGURMWFKZVAXFF-KDOFPFPSSA-N -1 1 380.412 1.490 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@]3(NC(=O)c4ccoc4)CCC[C@@H]23)n1 ZINC001571157872 952707980 /nfs/dbraw/zinc/70/79/80/952707980.db2.gz BGURMWFKZVAXFF-KDOFPFPSSA-N -1 1 380.412 1.490 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H]3CN(C(=O)c4ccco4)CC[C@H]32)n1 ZINC001571158314 952711155 /nfs/dbraw/zinc/71/11/55/952711155.db2.gz GUTYYHJNLKZIOW-TZMCWYRMSA-N -1 1 380.412 1.299 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H]3CN(C(=O)c4ccco4)CC[C@H]32)n1 ZINC001571158314 952711158 /nfs/dbraw/zinc/71/11/58/952711158.db2.gz GUTYYHJNLKZIOW-TZMCWYRMSA-N -1 1 380.412 1.299 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NCC2CC(NC(=O)c3ccccc3O)C2)n1 ZINC001571159263 952718761 /nfs/dbraw/zinc/71/87/61/952718761.db2.gz SJKMTJVTCSWHCG-UHFFFAOYSA-N -1 1 380.412 1.291 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)c1occ2c1CCC2 ZINC001571160307 952725364 /nfs/dbraw/zinc/72/53/64/952725364.db2.gz GXAWMOLUXZNKNM-UMSPYCQHSA-N -1 1 380.412 1.359 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)c1occ2c1CCC2 ZINC001571160307 952725366 /nfs/dbraw/zinc/72/53/66/952725366.db2.gz GXAWMOLUXZNKNM-UMSPYCQHSA-N -1 1 380.412 1.359 20 0 GDADMM O=C(c1ccoc1C1CC1)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571160657 952727400 /nfs/dbraw/zinc/72/74/00/952727400.db2.gz KYZQEOYFYAIASR-GFCCVEGCSA-N -1 1 380.412 1.844 20 0 GDADMM O=C(c1ccoc1C1CC1)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571160657 952727402 /nfs/dbraw/zinc/72/74/02/952727402.db2.gz KYZQEOYFYAIASR-GFCCVEGCSA-N -1 1 380.412 1.844 20 0 GDADMM O=C(N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1occ2c1CCC2 ZINC001571161275 952732128 /nfs/dbraw/zinc/73/21/28/952732128.db2.gz UCRMSTJKHNXCRE-GFCCVEGCSA-N -1 1 380.412 1.137 20 0 GDADMM O=C(N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1occ2c1CCC2 ZINC001571161275 952732129 /nfs/dbraw/zinc/73/21/29/952732129.db2.gz UCRMSTJKHNXCRE-GFCCVEGCSA-N -1 1 380.412 1.137 20 0 GDADMM Cc1cocc1C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571161454 952732616 /nfs/dbraw/zinc/73/26/16/952732616.db2.gz WELDLBWXHFBDKL-CABCVRRESA-N -1 1 380.412 1.442 20 0 GDADMM Cc1cocc1C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571161454 952732619 /nfs/dbraw/zinc/73/26/19/952732619.db2.gz WELDLBWXHFBDKL-CABCVRRESA-N -1 1 380.412 1.442 20 0 GDADMM COC(=O)[C@H](C)[C@@H](NC(=O)Nc1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001571170802 952787921 /nfs/dbraw/zinc/78/79/21/952787921.db2.gz LQCPWKUDBZVHMN-IAQYHMDHSA-N -1 1 381.396 1.934 20 0 GDADMM COC(=O)[C@H](C)[C@@H](NC(=O)Nc1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001571170802 952787926 /nfs/dbraw/zinc/78/79/26/952787926.db2.gz LQCPWKUDBZVHMN-IAQYHMDHSA-N -1 1 381.396 1.934 20 0 GDADMM Cc1ccc([C@@H](O)CNS(=O)(=O)c2c(C)cc(F)cc2-c2nn[n-]n2)o1 ZINC001571171644 952795627 /nfs/dbraw/zinc/79/56/27/952795627.db2.gz USFKCNOTJLBYSK-LBPRGKRZSA-N -1 1 381.389 1.228 20 0 GDADMM NC(=O)C1CCN(c2cccc(NC(=O)c3coc(-c4nnn[n-]4)c3)c2)CC1 ZINC001571171647 952795942 /nfs/dbraw/zinc/79/59/42/952795942.db2.gz UXENXIKWAPCRAQ-UHFFFAOYSA-N -1 1 381.396 1.414 20 0 GDADMM NC(=O)C1CCN(c2cccc(NC(=O)c3coc(-c4nn[n-]n4)c3)c2)CC1 ZINC001571171647 952795950 /nfs/dbraw/zinc/79/59/50/952795950.db2.gz UXENXIKWAPCRAQ-UHFFFAOYSA-N -1 1 381.396 1.414 20 0 GDADMM O=C(N[C@H]1CCCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1)c1ccon1 ZINC001571172235 952803769 /nfs/dbraw/zinc/80/37/69/952803769.db2.gz QIVVKLFWKRIUHA-ZETCQYMHSA-N -1 1 380.821 1.363 20 0 GDADMM O=C(N[C@H]1CCCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1)c1ccon1 ZINC001571172235 952803775 /nfs/dbraw/zinc/80/37/75/952803775.db2.gz QIVVKLFWKRIUHA-ZETCQYMHSA-N -1 1 380.821 1.363 20 0 GDADMM O=C(N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001571172224 952803921 /nfs/dbraw/zinc/80/39/21/952803921.db2.gz PVBBCOWIDNLCSB-ADUPDYIFSA-N -1 1 380.456 1.034 20 0 GDADMM O=C(N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001571172224 952803927 /nfs/dbraw/zinc/80/39/27/952803927.db2.gz PVBBCOWIDNLCSB-ADUPDYIFSA-N -1 1 380.456 1.034 20 0 GDADMM C[C@@H]1CN(C(=O)c2cnoc2C2CC2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571175554 952822720 /nfs/dbraw/zinc/82/27/20/952822720.db2.gz UUKBOGHUXDXVPC-NOZJJQNGSA-N -1 1 381.400 1.095 20 0 GDADMM C[C@@H]1CN(C(=O)c2cnoc2C2CC2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571175554 952822726 /nfs/dbraw/zinc/82/27/26/952822726.db2.gz UUKBOGHUXDXVPC-NOZJJQNGSA-N -1 1 381.400 1.095 20 0 GDADMM O=C(c1cnc(C2CC2)o1)N1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571178323 952838344 /nfs/dbraw/zinc/83/83/44/952838344.db2.gz GACWCDNPZOQVOS-JTQLQIEISA-N -1 1 381.400 1.096 20 0 GDADMM O=C(c1cnc(C2CC2)o1)N1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571178323 952838349 /nfs/dbraw/zinc/83/83/49/952838349.db2.gz GACWCDNPZOQVOS-JTQLQIEISA-N -1 1 381.400 1.096 20 0 GDADMM CC[C@@H]1CN(C(=O)c2[nH]ccc2C)CC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571183793 952883605 /nfs/dbraw/zinc/88/36/05/952883605.db2.gz JSBGTVZEMMIYQI-CHWSQXEVSA-N -1 1 381.444 1.646 20 0 GDADMM CC[C@@H]1CN(C(=O)c2[nH]ccc2C)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571183793 952883607 /nfs/dbraw/zinc/88/36/07/952883607.db2.gz JSBGTVZEMMIYQI-CHWSQXEVSA-N -1 1 381.444 1.646 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001571184062 952886622 /nfs/dbraw/zinc/88/66/22/952886622.db2.gz PLMVRTDPQBEGEQ-KBPBESRZSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001571184062 952886626 /nfs/dbraw/zinc/88/66/26/952886626.db2.gz PLMVRTDPQBEGEQ-KBPBESRZSA-N -1 1 381.444 1.512 20 0 GDADMM CCCc1[nH]ccc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001571184090 952888076 /nfs/dbraw/zinc/88/80/76/952888076.db2.gz QCSWVZKUHKKZMQ-WCQYABFASA-N -1 1 381.444 1.074 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CC[C@H](C)[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571184572 952895785 /nfs/dbraw/zinc/89/57/85/952895785.db2.gz AJKVWIFPIYZKPV-WCQYABFASA-N -1 1 381.444 1.504 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CC[C@H](C)[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571184572 952895792 /nfs/dbraw/zinc/89/57/92/952895792.db2.gz AJKVWIFPIYZKPV-WCQYABFASA-N -1 1 381.444 1.504 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CCCCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571185774 952903084 /nfs/dbraw/zinc/90/30/84/952903084.db2.gz PKSNIGICVSQWEA-CYBMUJFWSA-N -1 1 381.444 1.790 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CCCCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571185774 952903087 /nfs/dbraw/zinc/90/30/87/952903087.db2.gz PKSNIGICVSQWEA-CYBMUJFWSA-N -1 1 381.444 1.790 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CCC[C@@H](CN(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571185754 952903575 /nfs/dbraw/zinc/90/35/75/952903575.db2.gz PDZOZIYPSIISOD-ZDUSSCGKSA-N -1 1 381.444 1.282 20 0 GDADMM Cc1ccn(C)c1C(=O)N[C@H]1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571189086 952923885 /nfs/dbraw/zinc/92/38/85/952923885.db2.gz RSBFKYCUWOULNP-STQMWFEESA-N -1 1 381.444 1.314 20 0 GDADMM Cc1ccn(C)c1C(=O)N[C@H]1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571189086 952923891 /nfs/dbraw/zinc/92/38/91/952923891.db2.gz RSBFKYCUWOULNP-STQMWFEESA-N -1 1 381.444 1.314 20 0 GDADMM O=C(C1=COCCC1)N1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001571190273 952941102 /nfs/dbraw/zinc/94/11/02/952941102.db2.gz GLIRCJMOUBBUPS-UHFFFAOYSA-N -1 1 381.849 1.320 20 0 GDADMM Cc1ccc(F)cc1C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571196106 952980150 /nfs/dbraw/zinc/98/01/50/952980150.db2.gz HKAKMOGSZNYODN-ZDUSSCGKSA-N -1 1 382.403 1.503 20 0 GDADMM Cc1ccc(F)cc1C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571196106 952980151 /nfs/dbraw/zinc/98/01/51/952980151.db2.gz HKAKMOGSZNYODN-ZDUSSCGKSA-N -1 1 382.403 1.503 20 0 GDADMM CCc1ccc(F)cc1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571196406 952981798 /nfs/dbraw/zinc/98/17/98/952981798.db2.gz KJDJDYNISFQZMK-ZDUSSCGKSA-N -1 1 382.403 1.367 20 0 GDADMM CN(C(=O)[C@H](F)c1ccccc1)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571197185 952986836 /nfs/dbraw/zinc/98/68/36/952986836.db2.gz UAOTWQWYMSELIM-XJKSGUPXSA-N -1 1 382.403 1.405 20 0 GDADMM CN(C(=O)[C@H](F)c1ccccc1)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571197185 952986838 /nfs/dbraw/zinc/98/68/38/952986838.db2.gz UAOTWQWYMSELIM-XJKSGUPXSA-N -1 1 382.403 1.405 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)Cc2ccc(C)o2)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571199303 952999886 /nfs/dbraw/zinc/99/98/86/952999886.db2.gz PHIUAPMJQSISBF-DZGCQCFKSA-N -1 1 382.428 1.274 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)Cc2ccc(C)o2)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571199303 952999896 /nfs/dbraw/zinc/99/98/96/952999896.db2.gz PHIUAPMJQSISBF-DZGCQCFKSA-N -1 1 382.428 1.274 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccco1 ZINC001571199957 953005234 /nfs/dbraw/zinc/00/52/34/953005234.db2.gz FAMKGDDASDCJTE-STQMWFEESA-N -1 1 382.428 1.846 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccco1 ZINC001571199957 953005240 /nfs/dbraw/zinc/00/52/40/953005240.db2.gz FAMKGDDASDCJTE-STQMWFEESA-N -1 1 382.428 1.846 20 0 GDADMM O=C(c1ccc(CF)cc1)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571199958 953005595 /nfs/dbraw/zinc/00/55/95/953005595.db2.gz FAVTYOUONDLACI-CYBMUJFWSA-N -1 1 382.403 1.700 20 0 GDADMM O=C(c1ccc(CF)cc1)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571199958 953005599 /nfs/dbraw/zinc/00/55/99/953005599.db2.gz FAVTYOUONDLACI-CYBMUJFWSA-N -1 1 382.403 1.700 20 0 GDADMM O=C(N[C@H]1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccc(F)cc1 ZINC001571201173 953016290 /nfs/dbraw/zinc/01/62/90/953016290.db2.gz OZQGPUXSYMOARC-KBPBESRZSA-N -1 1 382.403 1.949 20 0 GDADMM O=C(N[C@H]1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccc(F)cc1 ZINC001571201173 953016292 /nfs/dbraw/zinc/01/62/92/953016292.db2.gz OZQGPUXSYMOARC-KBPBESRZSA-N -1 1 382.403 1.949 20 0 GDADMM O=C(N[C@H]1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1F ZINC001571202439 953025297 /nfs/dbraw/zinc/02/52/97/953025297.db2.gz WXRFURBQUZCJJW-RYUDHWBXSA-N -1 1 382.403 1.371 20 0 GDADMM Cc1ccoc1C(=O)N1CCCC[C@@H]1CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001571202558 953026366 /nfs/dbraw/zinc/02/63/66/953026366.db2.gz UXPNOUSJCVYWDZ-CYBMUJFWSA-N -1 1 382.428 1.689 20 0 GDADMM Cc1ccoc1C(=O)N1CCCC[C@@H]1CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001571202558 953026371 /nfs/dbraw/zinc/02/63/71/953026371.db2.gz UXPNOUSJCVYWDZ-CYBMUJFWSA-N -1 1 382.428 1.689 20 0 GDADMM Cc1coc(C(=O)N2CCC[C@H](C)[C@@H]2CNc2nccnc2-c2nnn[n-]2)c1 ZINC001571202756 953029082 /nfs/dbraw/zinc/02/90/82/953029082.db2.gz YDUOWGKYHNOXAH-STQMWFEESA-N -1 1 382.428 1.911 20 0 GDADMM Cc1coc(C(=O)N2CCC[C@H](C)[C@@H]2CNc2nccnc2-c2nn[n-]n2)c1 ZINC001571202756 953029086 /nfs/dbraw/zinc/02/90/86/953029086.db2.gz YDUOWGKYHNOXAH-STQMWFEESA-N -1 1 382.428 1.911 20 0 GDADMM Cc1coc(C)c1C(=O)N[C@H]1CC[C@@H](C)N(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571202796 953029398 /nfs/dbraw/zinc/02/93/98/953029398.db2.gz YUTHCRFPLZSRMC-YPMHNXCESA-N -1 1 382.428 1.654 20 0 GDADMM Cc1coc(C)c1C(=O)N[C@H]1CC[C@@H](C)N(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571202796 953029404 /nfs/dbraw/zinc/02/94/04/953029404.db2.gz YUTHCRFPLZSRMC-YPMHNXCESA-N -1 1 382.428 1.654 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)[C@H]2C)o1 ZINC001571202774 953029532 /nfs/dbraw/zinc/02/95/32/953029532.db2.gz YOBZBENPZBARKQ-STQMWFEESA-N -1 1 382.428 1.654 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)[C@H]2C)o1 ZINC001571202774 953029534 /nfs/dbraw/zinc/02/95/34/953029534.db2.gz YOBZBENPZBARKQ-STQMWFEESA-N -1 1 382.428 1.654 20 0 GDADMM CCCc1cc(C(=O)N2CCC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)[nH]n1 ZINC001571204855 953032152 /nfs/dbraw/zinc/03/21/52/953032152.db2.gz CZKXJWVQCLQBOP-GFCCVEGCSA-N -1 1 382.432 1.049 20 0 GDADMM O=C(Cc1ccco1)N1CCCC[C@@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001571206601 953053126 /nfs/dbraw/zinc/05/31/26/953053126.db2.gz RMSUSJBOAVBKHZ-CYBMUJFWSA-N -1 1 382.428 1.676 20 0 GDADMM O=C(Cc1ccco1)N1CCCC[C@@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001571206601 953053127 /nfs/dbraw/zinc/05/31/27/953053127.db2.gz RMSUSJBOAVBKHZ-CYBMUJFWSA-N -1 1 382.428 1.676 20 0 GDADMM CCc1nc(N[C@@H]2CN(C(=O)[C@@H]3CC34CC4)CC2(C)C)cc(-c2nnn[n-]2)n1 ZINC001571212100 953083461 /nfs/dbraw/zinc/08/34/61/953083461.db2.gz IWKXYZMUBOBJCF-WCQYABFASA-N -1 1 382.472 1.668 20 0 GDADMM CCc1nc(N[C@@H]2CN(C(=O)[C@@H]3CC34CC4)CC2(C)C)cc(-c2nn[n-]n2)n1 ZINC001571212100 953083465 /nfs/dbraw/zinc/08/34/65/953083465.db2.gz IWKXYZMUBOBJCF-WCQYABFASA-N -1 1 382.472 1.668 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2C2CC2)n1 ZINC001571212058 953083608 /nfs/dbraw/zinc/08/36/08/953083608.db2.gz IDBWTUZOOLEXDQ-QLFBSQMISA-N -1 1 382.472 1.804 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2C2CC2)n1 ZINC001571212058 953083615 /nfs/dbraw/zinc/08/36/15/953083615.db2.gz IDBWTUZOOLEXDQ-QLFBSQMISA-N -1 1 382.472 1.804 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC3(C[C@@H]3NC(=O)C3CC(C)C3)CC2)n1 ZINC001571212481 953089106 /nfs/dbraw/zinc/08/91/06/953089106.db2.gz MJLSOVRFSRDEHP-HGMXIMQMSA-N -1 1 382.472 1.486 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC3(C[C@@H]3NC(=O)C3CC(C)C3)CC2)n1 ZINC001571212481 953089111 /nfs/dbraw/zinc/08/91/11/953089111.db2.gz MJLSOVRFSRDEHP-HGMXIMQMSA-N -1 1 382.472 1.486 20 0 GDADMM C[C@@H](NC(=O)[C@H]1C[C@H]2C[C@H]2C1)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571212877 953091158 /nfs/dbraw/zinc/09/11/58/953091158.db2.gz NSEOWERJQAWLTQ-ZSAUSMIDSA-N -1 1 382.472 1.424 20 0 GDADMM C[C@@H](NC(=O)[C@H]1C[C@H]2C[C@H]2C1)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571212877 953091161 /nfs/dbraw/zinc/09/11/61/953091161.db2.gz NSEOWERJQAWLTQ-ZSAUSMIDSA-N -1 1 382.472 1.424 20 0 GDADMM CCC1(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2cnc(-c3nnn[n-]3)cn2)CCC1 ZINC001571212907 953091291 /nfs/dbraw/zinc/09/12/91/953091291.db2.gz NZLMARNKCBXUDP-OKILXGFUSA-N -1 1 382.472 1.807 20 0 GDADMM CCC1(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2cnc(-c3nn[n-]n3)cn2)CCC1 ZINC001571212907 953091295 /nfs/dbraw/zinc/09/12/95/953091295.db2.gz NZLMARNKCBXUDP-OKILXGFUSA-N -1 1 382.472 1.807 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2CCC[C@H]2C)n1 ZINC001571213567 953096653 /nfs/dbraw/zinc/09/66/53/953096653.db2.gz RWZFFKAWNOFFPR-DHTYTYEMSA-N -1 1 382.472 1.342 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2CCC[C@H]2C)n1 ZINC001571213567 953096654 /nfs/dbraw/zinc/09/66/54/953096654.db2.gz RWZFFKAWNOFFPR-DHTYTYEMSA-N -1 1 382.472 1.342 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)C[C@H]2C)n1 ZINC001571214102 953099359 /nfs/dbraw/zinc/09/93/59/953099359.db2.gz WYIVHTGRFZFCDY-IKSZGEOFSA-N -1 1 382.472 1.518 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)C[C@H]2C)n1 ZINC001571214102 953099363 /nfs/dbraw/zinc/09/93/63/953099363.db2.gz WYIVHTGRFZFCDY-IKSZGEOFSA-N -1 1 382.472 1.518 20 0 GDADMM C[C@@H]1CCC[C@@]1(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001571214447 953101802 /nfs/dbraw/zinc/10/18/02/953101802.db2.gz YSKPKAFTTOQOGC-VYGYDYRJSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H]1CCC[C@@]1(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001571214447 953101806 /nfs/dbraw/zinc/10/18/06/953101806.db2.gz YSKPKAFTTOQOGC-VYGYDYRJSA-N -1 1 382.472 1.663 20 0 GDADMM CCc1nc(NC2CC(N(C)C(=O)[C@H]3CC34CCC4)C2)cc(-c2nnn[n-]2)n1 ZINC001571214441 953101923 /nfs/dbraw/zinc/10/19/23/953101923.db2.gz YRFHFANOLAPMDZ-WXRRBKDZSA-N -1 1 382.472 1.811 20 0 GDADMM CCc1nc(NC2CC(N(C)C(=O)[C@H]3CC34CCC4)C2)cc(-c2nn[n-]n2)n1 ZINC001571214441 953101925 /nfs/dbraw/zinc/10/19/25/953101925.db2.gz YRFHFANOLAPMDZ-WXRRBKDZSA-N -1 1 382.472 1.811 20 0 GDADMM O=C(NCC1CC(Nc2nccnc2-c2nnn[n-]2)C1)C1CCC2(CC2)CC1 ZINC001571217316 953107338 /nfs/dbraw/zinc/10/73/38/953107338.db2.gz FKWUAHVEVHCQRN-UHFFFAOYSA-N -1 1 382.472 1.934 20 0 GDADMM O=C(NCC1CC(Nc2nccnc2-c2nn[n-]n2)C1)C1CCC2(CC2)CC1 ZINC001571217316 953107340 /nfs/dbraw/zinc/10/73/40/953107340.db2.gz FKWUAHVEVHCQRN-UHFFFAOYSA-N -1 1 382.472 1.934 20 0 GDADMM O=C(C1CCC1)N1CCC([C@@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571217299 953107582 /nfs/dbraw/zinc/10/75/82/953107582.db2.gz DZTAUJOCXGKZOE-INIZCTEOSA-N -1 1 382.472 1.664 20 0 GDADMM O=C(C1CCC1)N1CCC([C@@H]2CCCN2c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571217299 953107586 /nfs/dbraw/zinc/10/75/86/953107586.db2.gz DZTAUJOCXGKZOE-INIZCTEOSA-N -1 1 382.472 1.664 20 0 GDADMM O=C(N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)C(C1CCC1)C1CCC1 ZINC001571217647 953110353 /nfs/dbraw/zinc/11/03/53/953110353.db2.gz GTYUKBVOTVNYCP-AWEZNQCLSA-N -1 1 382.472 1.568 20 0 GDADMM O=C(N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)C(C1CCC1)C1CCC1 ZINC001571217647 953110355 /nfs/dbraw/zinc/11/03/55/953110355.db2.gz GTYUKBVOTVNYCP-AWEZNQCLSA-N -1 1 382.472 1.568 20 0 GDADMM O=C(N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1)[C@H]1CC12CCCC2 ZINC001571217714 953110748 /nfs/dbraw/zinc/11/07/48/953110748.db2.gz JBRQWPYKGSRFMD-UONOGXRCSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1)[C@H]1CC12CCCC2 ZINC001571217714 953110752 /nfs/dbraw/zinc/11/07/52/953110752.db2.gz JBRQWPYKGSRFMD-UONOGXRCSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(CC1CCCCC1)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1 ZINC001571217718 953111096 /nfs/dbraw/zinc/11/10/96/953111096.db2.gz JCHZGZVDVSLIET-KFWWJZLASA-N -1 1 382.472 1.853 20 0 GDADMM O=C(CC1CCCCC1)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1 ZINC001571217718 953111098 /nfs/dbraw/zinc/11/10/98/953111098.db2.gz JCHZGZVDVSLIET-KFWWJZLASA-N -1 1 382.472 1.853 20 0 GDADMM O=C(N[C@H]1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C(C1CC1)C1CC1 ZINC001571218065 953112719 /nfs/dbraw/zinc/11/27/19/953112719.db2.gz LBBZHXMNZPCDPI-KBPBESRZSA-N -1 1 382.472 1.932 20 0 GDADMM O=C(N[C@H]1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C(C1CC1)C1CC1 ZINC001571218065 953112722 /nfs/dbraw/zinc/11/27/22/953112722.db2.gz LBBZHXMNZPCDPI-KBPBESRZSA-N -1 1 382.472 1.932 20 0 GDADMM O=C(NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)[C@H]1C[C@@H]1C1CCCC1 ZINC001571218398 953115012 /nfs/dbraw/zinc/11/50/12/953115012.db2.gz MUCBUNMLZOYALD-CABCVRRESA-N -1 1 382.472 1.568 20 0 GDADMM O=C(NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)[C@H]1C[C@@H]1C1CCCC1 ZINC001571218398 953115016 /nfs/dbraw/zinc/11/50/16/953115016.db2.gz MUCBUNMLZOYALD-CABCVRRESA-N -1 1 382.472 1.568 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C12CCC2)c1cc(F)c[nH]1 ZINC001571218835 953119786 /nfs/dbraw/zinc/11/97/86/953119786.db2.gz FHRJEIWAOBHKNB-NEPJUHHUSA-N -1 1 383.391 1.277 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C12CCC2)c1cc(F)c[nH]1 ZINC001571218835 953119790 /nfs/dbraw/zinc/11/97/90/953119790.db2.gz FHRJEIWAOBHKNB-NEPJUHHUSA-N -1 1 383.391 1.277 20 0 GDADMM O=C(c1cc(F)c[nH]1)N1CC[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571218857 953119853 /nfs/dbraw/zinc/11/98/53/953119853.db2.gz FOOSXJSYOQBIIV-NEPJUHHUSA-N -1 1 383.391 1.007 20 0 GDADMM O=C(CC1CCCCC1)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571219102 953122204 /nfs/dbraw/zinc/12/22/04/953122204.db2.gz VHJPGPRYMSDHTA-GASCZTMLSA-N -1 1 382.472 1.807 20 0 GDADMM O=C(N[C@@H]1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1ncccc1F ZINC001571219708 953126780 /nfs/dbraw/zinc/12/67/80/953126780.db2.gz QRGOGKXCQLGLPV-WDEREUQCSA-N -1 1 383.391 1.201 20 0 GDADMM O=C(N[C@@H]1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1ncccc1F ZINC001571219708 953126782 /nfs/dbraw/zinc/12/67/82/953126782.db2.gz QRGOGKXCQLGLPV-WDEREUQCSA-N -1 1 383.391 1.201 20 0 GDADMM CCc1oncc1C(=O)N1CC[C@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571222461 953135018 /nfs/dbraw/zinc/13/50/18/953135018.db2.gz GEWWGLWWXBJNEG-QWRGUYRKSA-N -1 1 383.416 1.170 20 0 GDADMM CCc1oncc1C(=O)N1CC[C@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571222461 953135020 /nfs/dbraw/zinc/13/50/20/953135020.db2.gz GEWWGLWWXBJNEG-QWRGUYRKSA-N -1 1 383.416 1.170 20 0 GDADMM CC(C)(C)c1cc(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)no1 ZINC001571222629 953136577 /nfs/dbraw/zinc/13/65/77/953136577.db2.gz KGWIFFGIIYQQFC-SNVBAGLBSA-N -1 1 383.416 1.269 20 0 GDADMM CC(C)(C)c1cc(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)no1 ZINC001571222629 953136580 /nfs/dbraw/zinc/13/65/80/953136580.db2.gz KGWIFFGIIYQQFC-SNVBAGLBSA-N -1 1 383.416 1.269 20 0 GDADMM CCc1ncoc1C(=O)N1CCC(C)(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571222964 953140592 /nfs/dbraw/zinc/14/05/92/953140592.db2.gz OHJZXCQIOMGXDN-UHFFFAOYSA-N -1 1 383.416 1.314 20 0 GDADMM CCc1ncoc1C(=O)N1CCC(C)(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571222964 953140596 /nfs/dbraw/zinc/14/05/96/953140596.db2.gz OHJZXCQIOMGXDN-UHFFFAOYSA-N -1 1 383.416 1.314 20 0 GDADMM CC(C)(C)c1ocnc1C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571224048 953148644 /nfs/dbraw/zinc/14/86/44/953148644.db2.gz XOGPHQXHTGCIGA-AOOOYVTPSA-N -1 1 383.416 1.315 20 0 GDADMM CC(C)(C)c1ocnc1C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571224048 953148647 /nfs/dbraw/zinc/14/86/47/953148647.db2.gz XOGPHQXHTGCIGA-AOOOYVTPSA-N -1 1 383.416 1.315 20 0 GDADMM CC(C)c1ocnc1C(=O)N(C)C1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571223967 953148834 /nfs/dbraw/zinc/14/88/34/953148834.db2.gz WGFCGTCQADHSCS-UHFFFAOYSA-N -1 1 383.416 1.483 20 0 GDADMM CC(C)c1ocnc1C(=O)N(C)C1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571223967 953148835 /nfs/dbraw/zinc/14/88/35/953148835.db2.gz WGFCGTCQADHSCS-UHFFFAOYSA-N -1 1 383.416 1.483 20 0 GDADMM Cc1nc(C(=O)N2CCCC[C@H]2CCNc2cnc(-c3nnn[n-]3)cn2)co1 ZINC001571226454 953156002 /nfs/dbraw/zinc/15/60/02/953156002.db2.gz RCYWUDJTNLZCMY-LBPRGKRZSA-N -1 1 383.416 1.450 20 0 GDADMM Cc1nc(C(=O)N2CCCC[C@H]2CCNc2cnc(-c3nn[n-]n3)cn2)co1 ZINC001571226454 953156004 /nfs/dbraw/zinc/15/60/04/953156004.db2.gz RCYWUDJTNLZCMY-LBPRGKRZSA-N -1 1 383.416 1.450 20 0 GDADMM Cc1ocnc1C(=O)N1CCC[C@H]([C@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571228677 953165812 /nfs/dbraw/zinc/16/58/12/953165812.db2.gz VMWFVWHPDUSIJY-JQWIXIFHSA-N -1 1 383.416 1.306 20 0 GDADMM Cc1ocnc1C(=O)N1CCC[C@H]([C@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571228677 953165815 /nfs/dbraw/zinc/16/58/15/953165815.db2.gz VMWFVWHPDUSIJY-JQWIXIFHSA-N -1 1 383.416 1.306 20 0 GDADMM Cc1nocc1C(=O)N1CCC[C@H](C)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571228842 953167053 /nfs/dbraw/zinc/16/70/53/953167053.db2.gz WJXXWWBSZDEOOZ-GXFFZTMASA-N -1 1 383.416 1.306 20 0 GDADMM Cc1nocc1C(=O)N1CCC[C@H](C)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571228842 953167055 /nfs/dbraw/zinc/16/70/55/953167055.db2.gz WJXXWWBSZDEOOZ-GXFFZTMASA-N -1 1 383.416 1.306 20 0 GDADMM Cc1nsc(NC[C@@]2(C)CCN(C(=O)[C@H]3CC3(F)F)C2)c1-c1nn[n-]n1 ZINC001571229232 953168378 /nfs/dbraw/zinc/16/83/78/953168378.db2.gz BEWINJAQXOBCKL-YMTOWFKASA-N -1 1 383.428 1.937 20 0 GDADMM Cc1nsc(NC[C@]2(C)CCN(C(=O)[C@@H]3CC3(F)F)C2)c1-c1nn[n-]n1 ZINC001571229231 953168410 /nfs/dbraw/zinc/16/84/10/953168410.db2.gz BEWINJAQXOBCKL-XPTSAGLGSA-N -1 1 383.428 1.937 20 0 GDADMM O=C(c1csc(C2CC2)n1)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571230258 953174979 /nfs/dbraw/zinc/17/49/79/953174979.db2.gz BLXDAPJVPQWWIH-SNVBAGLBSA-N -1 1 383.441 1.317 20 0 GDADMM O=C(c1csc(C2CC2)n1)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571230258 953174982 /nfs/dbraw/zinc/17/49/82/953174982.db2.gz BLXDAPJVPQWWIH-SNVBAGLBSA-N -1 1 383.441 1.317 20 0 GDADMM CCC(=O)N1CC[C@]2(C1)CN(c1nc(-c3nn[n-]n3)c(Cl)s1)CCO2 ZINC001571235035 953208141 /nfs/dbraw/zinc/20/81/41/953208141.db2.gz QRXUTVSDYLGPTL-AWEZNQCLSA-N -1 1 383.865 1.194 20 0 GDADMM CC1(C(=O)N2CCO[C@@H](CNc3nc(Cl)c(-c4nnn[n-]4)s3)C2)CC1 ZINC001571235253 953210943 /nfs/dbraw/zinc/21/09/43/953210943.db2.gz YJRDGWDMEWHEDG-QMMMGPOBSA-N -1 1 383.865 1.416 20 0 GDADMM CC1(C(=O)N2CCO[C@@H](CNc3nc(Cl)c(-c4nn[n-]n4)s3)C2)CC1 ZINC001571235253 953210947 /nfs/dbraw/zinc/21/09/47/953210947.db2.gz YJRDGWDMEWHEDG-QMMMGPOBSA-N -1 1 383.865 1.416 20 0 GDADMM CCc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)s1 ZINC001571244578 953264741 /nfs/dbraw/zinc/26/47/41/953264741.db2.gz BMYYPKJURASKME-LLVKDONJSA-N -1 1 384.469 1.679 20 0 GDADMM CCc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)s1 ZINC001571244578 953264743 /nfs/dbraw/zinc/26/47/43/953264743.db2.gz BMYYPKJURASKME-LLVKDONJSA-N -1 1 384.469 1.679 20 0 GDADMM Cc1ccsc1C(=O)N1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C(C)(C)C1 ZINC001571244824 953267222 /nfs/dbraw/zinc/26/72/22/953267222.db2.gz JVFCBUWAMVOSNZ-GFCCVEGCSA-N -1 1 384.469 1.989 20 0 GDADMM Cc1ccsc1C(=O)N1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C(C)(C)C1 ZINC001571244824 953267224 /nfs/dbraw/zinc/26/72/24/953267224.db2.gz JVFCBUWAMVOSNZ-GFCCVEGCSA-N -1 1 384.469 1.989 20 0 GDADMM C[C@H]1C[C@@H](NC(=O)Cc2cccs2)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571245200 953271267 /nfs/dbraw/zinc/27/12/67/953271267.db2.gz FGIDZMUMJVULPQ-RYUDHWBXSA-N -1 1 384.469 1.434 20 0 GDADMM Cc1ccsc1C(=O)N1C[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)[C@H](C)C1 ZINC001571245590 953275285 /nfs/dbraw/zinc/27/52/85/953275285.db2.gz WBOZAJPJKPSTGB-VXGBXAGGSA-N -1 1 384.469 1.847 20 0 GDADMM Cc1ccsc1C(=O)N1C[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)[C@H](C)C1 ZINC001571245590 953275289 /nfs/dbraw/zinc/27/52/89/953275289.db2.gz WBOZAJPJKPSTGB-VXGBXAGGSA-N -1 1 384.469 1.847 20 0 GDADMM C[C@@H]1C[C@H](NC(=O)Cc2ccsc2)CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571246210 953281090 /nfs/dbraw/zinc/28/10/90/953281090.db2.gz WBFFTDBRUVKMPE-DGCLKSJQSA-N -1 1 384.469 1.434 20 0 GDADMM C[C@@H]1C[C@H](NC(=O)Cc2ccsc2)CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571246210 953281092 /nfs/dbraw/zinc/28/10/92/953281092.db2.gz WBFFTDBRUVKMPE-DGCLKSJQSA-N -1 1 384.469 1.434 20 0 GDADMM O=C(Cc1ccsc1)N1CC[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571248334 953292764 /nfs/dbraw/zinc/29/27/64/953292764.db2.gz QQOMEYLBOCBQGZ-LBPRGKRZSA-N -1 1 384.469 1.033 20 0 GDADMM Cn1nc(C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)cc1C1CC1 ZINC001571248395 953292920 /nfs/dbraw/zinc/29/29/20/953292920.db2.gz SGSJEYCFYIYDRW-UHFFFAOYSA-N -1 1 384.469 1.153 20 0 GDADMM CCCC(=O)N1CCC([C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001571248994 953299585 /nfs/dbraw/zinc/29/95/85/953299585.db2.gz AKMDAPZLYRIGTE-HNNXBMFYSA-N -1 1 384.488 1.912 20 0 GDADMM CCCC(=O)N1CCC([C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001571248994 953299590 /nfs/dbraw/zinc/29/95/90/953299590.db2.gz AKMDAPZLYRIGTE-HNNXBMFYSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@@H]1CCN(C(=O)C2CC(C)(C)C2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571249178 953301895 /nfs/dbraw/zinc/30/18/95/953301895.db2.gz FJYVKLLXYRZYNR-TZMCWYRMSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H]1CCN(C(=O)C2CC(C)(C)C2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571249178 953301897 /nfs/dbraw/zinc/30/18/97/953301897.db2.gz FJYVKLLXYRZYNR-TZMCWYRMSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)(C)CC(=O)N1CCC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CC[C@@H]21 ZINC001571249453 953306057 /nfs/dbraw/zinc/30/60/57/953306057.db2.gz JGLPLWYTFKIHRE-KBPBESRZSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CCCC[C@@H]1C(=O)NC1(C)CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571249990 953307841 /nfs/dbraw/zinc/30/78/41/953307841.db2.gz NEFNNUKCIWDUJM-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCCC[C@@H]1C(=O)NC1(C)CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571249990 953307845 /nfs/dbraw/zinc/30/78/45/953307845.db2.gz NEFNNUKCIWDUJM-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM O=C(N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1)[C@]12CCC[C@H]1OCC2 ZINC001571251186 953315988 /nfs/dbraw/zinc/31/59/88/953315988.db2.gz RTMLEESXKGZQLN-KDOFPFPSSA-N -1 1 384.444 1.019 20 0 GDADMM O=C(N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1)[C@]12CCC[C@H]1OCC2 ZINC001571251186 953315992 /nfs/dbraw/zinc/31/59/92/953315992.db2.gz RTMLEESXKGZQLN-KDOFPFPSSA-N -1 1 384.444 1.019 20 0 GDADMM CC1(C)CCCC[C@@H]1C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571251531 953318185 /nfs/dbraw/zinc/31/81/85/953318185.db2.gz ZKOYOQLKEAMAOK-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CCCC[C@@H]1C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571251531 953318191 /nfs/dbraw/zinc/31/81/91/953318191.db2.gz ZKOYOQLKEAMAOK-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)(C)C1)C1CCCC1 ZINC001571251567 953319035 /nfs/dbraw/zinc/31/90/35/953319035.db2.gz ZOICVTSMIUAJAQ-TZMCWYRMSA-N -1 1 384.488 1.554 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](CNC(=O)[C@@H]3CCCC3(C)C)C2)n1 ZINC001571252000 953321665 /nfs/dbraw/zinc/32/16/65/953321665.db2.gz DXFTUEZLTWQPGX-KBPBESRZSA-N -1 1 384.488 1.734 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](CNC(=O)[C@@H]3CCCC3(C)C)C2)n1 ZINC001571252000 953321668 /nfs/dbraw/zinc/32/16/68/953321668.db2.gz DXFTUEZLTWQPGX-KBPBESRZSA-N -1 1 384.488 1.734 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCN(C(=O)[C@]3(C)CCC[C@@H]3C)CC2)n1 ZINC001571251890 953321859 /nfs/dbraw/zinc/32/18/59/953321859.db2.gz CETCLVYJAXUVHT-ORAYPTAESA-N -1 1 384.488 1.830 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCN(C(=O)[C@]3(C)CCC[C@@H]3C)CC2)n1 ZINC001571251890 953321864 /nfs/dbraw/zinc/32/18/64/953321864.db2.gz CETCLVYJAXUVHT-ORAYPTAESA-N -1 1 384.488 1.830 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@H]2CCCN2C(=O)[C@@H](C)C2CCC2)n1 ZINC001571252036 953322509 /nfs/dbraw/zinc/32/25/09/953322509.db2.gz FWVGSYBQVUGBQU-DZGCQCFKSA-N -1 1 384.488 1.829 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@H]2CCCN2C(=O)[C@@H](C)C2CCC2)n1 ZINC001571252036 953322514 /nfs/dbraw/zinc/32/25/14/953322514.db2.gz FWVGSYBQVUGBQU-DZGCQCFKSA-N -1 1 384.488 1.829 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H]([C@@H](C)NC(=O)C3CCCC3)C2)n1 ZINC001571252316 953326750 /nfs/dbraw/zinc/32/67/50/953326750.db2.gz KVCZWWFVDHIADZ-UKRRQHHQSA-N -1 1 384.488 1.876 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H]([C@@H](C)NC(=O)C3CCCC3)C2)n1 ZINC001571252316 953326757 /nfs/dbraw/zinc/32/67/57/953326757.db2.gz KVCZWWFVDHIADZ-UKRRQHHQSA-N -1 1 384.488 1.876 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CN(C(=O)C3C(C)(C)C3(C)C)C[C@H]2C)n1 ZINC001571252727 953331878 /nfs/dbraw/zinc/33/18/78/953331878.db2.gz VBJNCDLRZCPWFC-ZWNOBZJWSA-N -1 1 384.488 1.906 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CN(C(=O)C3C(C)(C)C3(C)C)C[C@H]2C)n1 ZINC001571252727 953331880 /nfs/dbraw/zinc/33/18/80/953331880.db2.gz VBJNCDLRZCPWFC-ZWNOBZJWSA-N -1 1 384.488 1.906 20 0 GDADMM CN(C[C@@H]1CCCN(C(=O)C2(C)CCCC2)C1)c1cncc(-c2nnn[n-]2)n1 ZINC001571252751 953332681 /nfs/dbraw/zinc/33/26/81/953332681.db2.gz VRIRDWBAXCKFTP-AWEZNQCLSA-N -1 1 384.488 1.912 20 0 GDADMM CN(C[C@@H]1CCCN(C(=O)C2(C)CCCC2)C1)c1cncc(-c2nn[n-]n2)n1 ZINC001571252751 953332684 /nfs/dbraw/zinc/33/26/84/953332684.db2.gz VRIRDWBAXCKFTP-AWEZNQCLSA-N -1 1 384.488 1.912 20 0 GDADMM CCc1nc(N[C@@H]2CN(C(=O)C[C@H](C)C3CC3)C[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571252766 953333129 /nfs/dbraw/zinc/33/31/29/953333129.db2.gz VXRZXXRMHREGME-YWPYICTPSA-N -1 1 384.488 1.914 20 0 GDADMM CCc1nc(N[C@@H]2CN(C(=O)C[C@H](C)C3CC3)C[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571252766 953333132 /nfs/dbraw/zinc/33/31/32/953333132.db2.gz VXRZXXRMHREGME-YWPYICTPSA-N -1 1 384.488 1.914 20 0 GDADMM C[C@@H]1CN(C(=O)c2cccc(Cl)c2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571254339 953337974 /nfs/dbraw/zinc/33/79/74/953337974.db2.gz BXCLCQHTIXKOCH-QMTHXVAHSA-N -1 1 384.831 1.883 20 0 GDADMM C[C@@H]1CN(C(=O)c2cccc(Cl)c2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571254339 953337977 /nfs/dbraw/zinc/33/79/77/953337977.db2.gz BXCLCQHTIXKOCH-QMTHXVAHSA-N -1 1 384.831 1.883 20 0 GDADMM C[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)c1ccc(Cl)cc1 ZINC001571255507 953349830 /nfs/dbraw/zinc/34/98/30/953349830.db2.gz MFLBWWKKUDBLJP-GXFFZTMASA-N -1 1 384.831 1.447 20 0 GDADMM 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/nfs/dbraw/zinc/23/42/84/532234284.db2.gz FKOQEYHHYPQJQI-LBPRGKRZSA-N -1 1 385.364 1.502 20 0 GDADMM Cc1nc(S(=O)(=O)[N-]C[C@@]2(N3CCOCC3)CCSC2)sc1C ZINC000333144952 532222028 /nfs/dbraw/zinc/22/20/28/532222028.db2.gz KYZXLVGBQYKCMR-AWEZNQCLSA-N -1 1 377.557 1.246 20 0 GDADMM O=C([O-])[C@@H]1[C@@H]2CCCN2CCN1S(=O)(=O)c1cccc(Br)c1 ZINC000377113798 532242596 /nfs/dbraw/zinc/24/25/96/532242596.db2.gz KVZXIODWGOHFFU-STQMWFEESA-N -1 1 389.271 1.371 20 0 GDADMM Cc1nc(S(=O)(=O)[N-][C@@H]2c3ccccc3C[C@@H]2O)c(Br)n1C ZINC000287824393 532244028 /nfs/dbraw/zinc/24/40/28/532244028.db2.gz NEMPRHSREQCZAI-NWDGAFQWSA-N -1 1 386.271 1.428 20 0 GDADMM O=C([O-])[C@H](Cc1cnc[nH]1)NS(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000274871032 532238753 /nfs/dbraw/zinc/23/87/53/532238753.db2.gz ARCCLFNWNQQMFW-LBPRGKRZSA-N -1 1 375.353 1.028 20 0 GDADMM CC(C)Cc1cc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)[nH]n1 ZINC000431338168 532265276 /nfs/dbraw/zinc/26/52/76/532265276.db2.gz MRZNAJFDOQCKRA-UHFFFAOYSA-N -1 1 375.447 1.952 20 0 GDADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N1CC[C@]2(CCOC2)C1 ZINC000377987924 532278590 /nfs/dbraw/zinc/27/85/90/532278590.db2.gz GUFXKTAJFOHXEJ-HNNXBMFYSA-N -1 1 393.292 1.911 20 0 GDADMM C[C@@H]1CCSCCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ccccn1 ZINC000349452690 532287323 /nfs/dbraw/zinc/28/73/23/532287323.db2.gz DFEMEBSULZCDCH-CYBMUJFWSA-N -1 1 393.556 1.371 20 0 GDADMM CCc1[nH]nc([N-]S(=O)(=O)CCCS(N)(=O)=O)c1-c1cccs1 ZINC000349453857 532288389 /nfs/dbraw/zinc/28/83/89/532288389.db2.gz OZQFQUCXJJSHJA-UHFFFAOYSA-N -1 1 378.501 1.121 20 0 GDADMM COC1(CO)CCN(C(=O)c2ccc(I)c([O-])c2)CC1 ZINC000401813941 532304478 /nfs/dbraw/zinc/30/44/78/532304478.db2.gz WGHTWFDHZBSYAF-UHFFFAOYSA-N -1 1 391.205 1.610 20 0 GDADMM COc1ccc(NC(=O)N2CCOCC(F)(F)C2)cc1[N-]S(C)(=O)=O ZINC000288822413 532309028 /nfs/dbraw/zinc/30/90/28/532309028.db2.gz OAQQWFRRJQJLPR-UHFFFAOYSA-N -1 1 379.385 1.566 20 0 GDADMM NC(=O)C1=NO[C@H](C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)C1 ZINC000275918451 532314463 /nfs/dbraw/zinc/31/44/63/532314463.db2.gz SVJDXYGYUCKCGT-LURJTMIESA-N -1 1 386.644 1.555 20 0 GDADMM CCOCc1nc([C@H](C)[N-]S(=O)(=O)c2ccc(C(=O)OC)s2)no1 ZINC000289685236 532330699 /nfs/dbraw/zinc/33/06/99/532330699.db2.gz VMRMIDWONSBRQH-QMMMGPOBSA-N -1 1 375.428 1.494 20 0 GDADMM COC(=O)[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000289756290 532331614 /nfs/dbraw/zinc/33/16/14/532331614.db2.gz IRMTZUHYAFJTCA-SECBINFHSA-N -1 1 395.264 1.293 20 0 GDADMM Cn1cc(C(=O)C(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)cn1 ZINC000737602734 598834507 /nfs/dbraw/zinc/83/45/07/598834507.db2.gz LPSRMWIXJHHNSF-UHFFFAOYSA-N -1 1 393.432 1.828 20 0 GDADMM CC(C)[C@H](C)C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000735703795 598847284 /nfs/dbraw/zinc/84/72/84/598847284.db2.gz WBUBLFOTUHJJKB-LBPRGKRZSA-N -1 1 383.412 1.826 20 0 GDADMM CC(C)[C@H](C)C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000735703795 598847285 /nfs/dbraw/zinc/84/72/85/598847285.db2.gz WBUBLFOTUHJJKB-LBPRGKRZSA-N -1 1 383.412 1.826 20 0 GDADMM C[C@H]1C(=O)NCCN1C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000736227671 598906184 /nfs/dbraw/zinc/90/61/84/598906184.db2.gz DVCNYRWGZKLWQA-NSHDSACASA-N -1 1 397.464 1.625 20 0 GDADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2 ZINC000737301151 598930235 /nfs/dbraw/zinc/93/02/35/598930235.db2.gz JLBKMUJBBKMPQT-UHFFFAOYSA-N -1 1 384.421 1.861 20 0 GDADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1cccc(C(=O)NC2CC2)c1 ZINC000737300684 598930400 /nfs/dbraw/zinc/93/04/00/598930400.db2.gz DSQZHZQYBBVPOL-UHFFFAOYSA-N -1 1 398.448 1.868 20 0 GDADMM O[C@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)COc1ccc(F)cc1 ZINC000738385149 598936819 /nfs/dbraw/zinc/93/68/19/598936819.db2.gz WGKHEAPSVIDIDR-GFCCVEGCSA-N -1 1 381.371 1.801 20 0 GDADMM O[C@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)COc1ccc(F)cc1 ZINC000738385149 598936821 /nfs/dbraw/zinc/93/68/21/598936821.db2.gz WGKHEAPSVIDIDR-GFCCVEGCSA-N -1 1 381.371 1.801 20 0 GDADMM CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)cc1 ZINC000736578054 598948350 /nfs/dbraw/zinc/94/83/50/598948350.db2.gz QHTOPWYRIIOCMC-UHFFFAOYSA-N -1 1 386.437 1.726 20 0 GDADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc(Cn2cncn2)cc1 ZINC000737223625 598947252 /nfs/dbraw/zinc/94/72/52/598947252.db2.gz AOPAHXHHMLDBSQ-UHFFFAOYSA-N -1 1 396.436 1.616 20 0 GDADMM COC(=O)c1cc(OC(=O)c2ccc(-c3nnn[n-]3)nc2)cc(C(=O)OC)c1 ZINC000736950623 598981707 /nfs/dbraw/zinc/98/17/07/598981707.db2.gz LONJTHYQMKNKIS-UHFFFAOYSA-N -1 1 383.320 1.054 20 0 GDADMM COC(=O)c1cc(OC(=O)c2ccc(-c3nn[n-]n3)nc2)cc(C(=O)OC)c1 ZINC000736950623 598981709 /nfs/dbraw/zinc/98/17/09/598981709.db2.gz LONJTHYQMKNKIS-UHFFFAOYSA-N -1 1 383.320 1.054 20 0 GDADMM COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000737098862 599002366 /nfs/dbraw/zinc/00/23/66/599002366.db2.gz GSDSCYGHARYCIT-CYBMUJFWSA-N -1 1 399.842 1.932 20 0 GDADMM COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000737098862 599002367 /nfs/dbraw/zinc/00/23/67/599002367.db2.gz GSDSCYGHARYCIT-CYBMUJFWSA-N -1 1 399.842 1.932 20 0 GDADMM CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000735466670 599003683 /nfs/dbraw/zinc/00/36/83/599003683.db2.gz WVRQEYCSCDFWSG-GOSISDBHSA-N -1 1 397.483 1.905 20 0 GDADMM CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000735466670 599003685 /nfs/dbraw/zinc/00/36/85/599003685.db2.gz WVRQEYCSCDFWSG-GOSISDBHSA-N -1 1 397.483 1.905 20 0 GDADMM CCN(CCCNC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)OC(C)(C)C ZINC000736536399 599033220 /nfs/dbraw/zinc/03/32/20/599033220.db2.gz BWLBQQQFGQEOIY-UHFFFAOYSA-N -1 1 375.433 1.639 20 0 GDADMM CCN(CCCNC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)OC(C)(C)C ZINC000736536399 599033223 /nfs/dbraw/zinc/03/32/23/599033223.db2.gz BWLBQQQFGQEOIY-UHFFFAOYSA-N -1 1 375.433 1.639 20 0 GDADMM CN(CCOc1ccc(F)cc1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000736802372 599033524 /nfs/dbraw/zinc/03/35/24/599033524.db2.gz REGYMQANSMUKQB-UHFFFAOYSA-N -1 1 395.391 1.844 20 0 GDADMM CN(CCOc1ccc(F)cc1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000736802372 599033526 /nfs/dbraw/zinc/03/35/26/599033526.db2.gz REGYMQANSMUKQB-UHFFFAOYSA-N -1 1 395.391 1.844 20 0 GDADMM CC(C)[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccccc1Cl ZINC000735735371 599058189 /nfs/dbraw/zinc/05/81/89/599058189.db2.gz SVXNGBDVPICGCH-ZDUSSCGKSA-N -1 1 389.847 1.727 20 0 GDADMM COC[C@@H](NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C)C(C)C ZINC000736976089 599089612 /nfs/dbraw/zinc/08/96/12/599089612.db2.gz CPRRHJSACNDCCB-OAHLLOKOSA-N -1 1 386.460 1.246 20 0 GDADMM COC[C@@H](NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C)C(C)C ZINC000736976089 599089615 /nfs/dbraw/zinc/08/96/15/599089615.db2.gz CPRRHJSACNDCCB-OAHLLOKOSA-N -1 1 386.460 1.246 20 0 GDADMM CC(C)[C@H](Cc1ccc(F)cc1)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820020875 599106590 /nfs/dbraw/zinc/10/65/90/599106590.db2.gz LSIGKKADQCWYBT-ZDUSSCGKSA-N -1 1 387.419 1.082 20 0 GDADMM CCc1ccc([C@H]2C[C@@H](C)CCN2c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)o1 ZINC000821480834 599110775 /nfs/dbraw/zinc/11/07/75/599110775.db2.gz FKNBTGZZNSKDGD-WCQYABFASA-N -1 1 399.455 1.397 20 0 GDADMM CC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735485878 599131408 /nfs/dbraw/zinc/13/14/08/599131408.db2.gz XKTJJPKLEUXMRT-JTQLQIEISA-N -1 1 380.364 1.648 20 0 GDADMM CC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735485878 599131410 /nfs/dbraw/zinc/13/14/10/599131410.db2.gz XKTJJPKLEUXMRT-JTQLQIEISA-N -1 1 380.364 1.648 20 0 GDADMM CC[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)Nc1ccc(OC)cc1 ZINC000736382127 599132357 /nfs/dbraw/zinc/13/23/57/599132357.db2.gz KURBSIIAMXQWHP-OAHLLOKOSA-N -1 1 382.380 1.844 20 0 GDADMM CC[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)Nc1ccc(OC)cc1 ZINC000736382127 599132359 /nfs/dbraw/zinc/13/23/59/599132359.db2.gz KURBSIIAMXQWHP-OAHLLOKOSA-N -1 1 382.380 1.844 20 0 GDADMM O=C(/C=C\C1CC1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000822922535 599138147 /nfs/dbraw/zinc/13/81/47/599138147.db2.gz HDGNGEGRRWOMPW-WAYWQWQTSA-N -1 1 381.396 1.730 20 0 GDADMM COc1ccccc1[C@@H](C)NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737140881 599138832 /nfs/dbraw/zinc/13/88/32/599138832.db2.gz GHFTYEMZNFBKCK-LLVKDONJSA-N -1 1 382.380 1.305 20 0 GDADMM COc1ccccc1[C@@H](C)NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737140881 599138834 /nfs/dbraw/zinc/13/88/34/599138834.db2.gz GHFTYEMZNFBKCK-LLVKDONJSA-N -1 1 382.380 1.305 20 0 GDADMM CC(C)[C@H](CNC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000735710479 599142259 /nfs/dbraw/zinc/14/22/59/599142259.db2.gz UMCWIOCNHJTZFT-INIZCTEOSA-N -1 1 394.435 1.975 20 0 GDADMM CC(C)[C@H](CNC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000735710479 599142261 /nfs/dbraw/zinc/14/22/61/599142261.db2.gz UMCWIOCNHJTZFT-INIZCTEOSA-N -1 1 394.435 1.975 20 0 GDADMM Cn1cc([C@H]2CCN(S(=O)(=O)c3cccc(Cl)c3-c3nnn[n-]3)C2)cn1 ZINC000737606012 599179584 /nfs/dbraw/zinc/17/95/84/599179584.db2.gz YKKDYPICDYFGRB-JTQLQIEISA-N -1 1 393.860 1.432 20 0 GDADMM Cn1cc([C@H]2CCN(S(=O)(=O)c3cccc(Cl)c3-c3nn[n-]n3)C2)cn1 ZINC000737606012 599179585 /nfs/dbraw/zinc/17/95/85/599179585.db2.gz YKKDYPICDYFGRB-JTQLQIEISA-N -1 1 393.860 1.432 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCCOC(C)(C)C1 ZINC000737486789 599225328 /nfs/dbraw/zinc/22/53/28/599225328.db2.gz DYEMQAJWGFPNCE-UHFFFAOYSA-N -1 1 398.471 1.486 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCCOC(C)(C)C1 ZINC000737486789 599225331 /nfs/dbraw/zinc/22/53/31/599225331.db2.gz DYEMQAJWGFPNCE-UHFFFAOYSA-N -1 1 398.471 1.486 20 0 GDADMM CC(=O)c1ccc(N2CCN(C(=O)CN3CCC(C(=O)[O-])CC3)CC2)c(F)c1 ZINC000262631151 596921252 /nfs/dbraw/zinc/92/12/52/596921252.db2.gz HASHNBOFGKDYSD-UHFFFAOYSA-N -1 1 391.443 1.474 20 0 GDADMM COc1cccc(N2CCC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)nc3)C2)c1 ZINC000737139665 599226993 /nfs/dbraw/zinc/22/69/93/599226993.db2.gz NGJKSHXVCUHCSK-AWEZNQCLSA-N -1 1 379.424 1.669 20 0 GDADMM COc1cccc(N2CCC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)nc3)C2)c1 ZINC000737139665 599226997 /nfs/dbraw/zinc/22/69/97/599226997.db2.gz NGJKSHXVCUHCSK-AWEZNQCLSA-N -1 1 379.424 1.669 20 0 GDADMM O=S(=O)(Nc1ccccc1Oc1ncccc1-c1nn[n-]n1)N1CCCC1 ZINC000738341658 599237789 /nfs/dbraw/zinc/23/77/89/599237789.db2.gz IQYBHPWVHWAJEJ-UHFFFAOYSA-N -1 1 387.425 1.807 20 0 GDADMM O=C([O-])C1(NCC(=O)N([C@H]2CCS(=O)(=O)C2)C2CCCCC2)CCCC1 ZINC000533203289 597079863 /nfs/dbraw/zinc/07/98/63/597079863.db2.gz VNSWSGVUCRLBQT-HNNXBMFYSA-N -1 1 386.514 1.322 20 0 GDADMM CC(C)[C@H](NCC(=O)Nc1cccc(C(=O)N2CCSCC2)c1)C(=O)[O-] ZINC000817977688 597109129 /nfs/dbraw/zinc/10/91/29/597109129.db2.gz RIRMJNPIEPTDBS-INIZCTEOSA-N -1 1 379.482 1.513 20 0 GDADMM CCOCCCN(C[C@H](C)C(=O)OC)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821378381 607305343 /nfs/dbraw/zinc/30/53/43/607305343.db2.gz MSHLIQXCLBDIMX-NSHDSACASA-N -1 1 382.852 1.957 20 0 GDADMM CCOCCCN(C[C@H](C)C(=O)OC)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821378381 607305344 /nfs/dbraw/zinc/30/53/44/607305344.db2.gz MSHLIQXCLBDIMX-NSHDSACASA-N -1 1 382.852 1.957 20 0 GDADMM Cn1ccnc1[C@@H](O)[C@H]1CCCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000822699026 607305553 /nfs/dbraw/zinc/30/55/53/607305553.db2.gz LTLVUSUDUKQYSU-WPRPVWTQSA-N -1 1 380.865 1.660 20 0 GDADMM Cn1ccnc1[C@@H](O)[C@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000822699026 607305554 /nfs/dbraw/zinc/30/55/54/607305554.db2.gz LTLVUSUDUKQYSU-WPRPVWTQSA-N -1 1 380.865 1.660 20 0 GDADMM CC[C@@H](CO)NC(=O)Cc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000820908284 607317435 /nfs/dbraw/zinc/31/74/35/607317435.db2.gz KBDREVWPYXBILA-ZDUSSCGKSA-N -1 1 386.481 1.970 20 0 GDADMM CC(=O)NCCN(Cc1cn2cc(Br)ccc2n1)[C@H](C)C(=O)[O-] ZINC000819780553 597677791 /nfs/dbraw/zinc/67/77/91/597677791.db2.gz JUTALFVEWNXZEN-SNVBAGLBSA-N -1 1 383.246 1.508 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@@H](C)Cc2ccc(O)cc2)cc1-c1nn[n-]n1 ZINC000821971034 607324720 /nfs/dbraw/zinc/32/47/20/607324720.db2.gz WGFHOZFUTOVDKZ-VIFPVBQESA-N -1 1 386.437 1.756 20 0 GDADMM O=S(=O)([N-]c1ccc(-c2nn[nH]n2)cc1F)c1cccc2c1OCCO2 ZINC000823583076 607328123 /nfs/dbraw/zinc/32/81/23/607328123.db2.gz GXDOUIWFJDUUID-UHFFFAOYSA-N -1 1 377.357 1.578 20 0 GDADMM O=S(=O)(N[C@H](c1ccccc1)c1ccccn1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738328926 598261374 /nfs/dbraw/zinc/26/13/74/598261374.db2.gz KHQVVVZEUYZJEF-QGZVFWFLSA-N -1 1 393.432 1.725 20 0 GDADMM O=S(=O)(N[C@H](c1ccccc1)c1ccccn1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738328926 598261375 /nfs/dbraw/zinc/26/13/75/598261375.db2.gz KHQVVVZEUYZJEF-QGZVFWFLSA-N -1 1 393.432 1.725 20 0 GDADMM CC(=O)Nc1cccc([C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000735488721 598262963 /nfs/dbraw/zinc/26/29/63/598262963.db2.gz MFHWJUKKLAGTTN-JTQLQIEISA-N -1 1 387.425 1.260 20 0 GDADMM CC(=O)Nc1cccc([C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000735488721 598262965 /nfs/dbraw/zinc/26/29/65/598262965.db2.gz MFHWJUKKLAGTTN-JTQLQIEISA-N -1 1 387.425 1.260 20 0 GDADMM CCC(=O)Nc1cccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736308249 598265595 /nfs/dbraw/zinc/26/55/95/598265595.db2.gz BIKKSVBOBXZODV-UHFFFAOYSA-N -1 1 387.425 1.089 20 0 GDADMM CCC(=O)Nc1cccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736308249 598265597 /nfs/dbraw/zinc/26/55/97/598265597.db2.gz BIKKSVBOBXZODV-UHFFFAOYSA-N -1 1 387.425 1.089 20 0 GDADMM Cc1cccc(C)c1OC[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737390933 598269066 /nfs/dbraw/zinc/26/90/66/598269066.db2.gz UBEZNLTWRVHMTJ-ZDUSSCGKSA-N -1 1 388.453 1.624 20 0 GDADMM Cc1cccc(C)c1OC[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737390933 598269068 /nfs/dbraw/zinc/26/90/68/598269068.db2.gz UBEZNLTWRVHMTJ-ZDUSSCGKSA-N -1 1 388.453 1.624 20 0 GDADMM Brc1ccc([C@@H]2CN(c3nccnc3-c3nnn[n-]3)CCO2)cc1 ZINC000735369869 598347209 /nfs/dbraw/zinc/34/72/09/598347209.db2.gz ZFGUAGAZYZJANB-LBPRGKRZSA-N -1 1 388.229 1.997 20 0 GDADMM Brc1ccc([C@@H]2CN(c3nccnc3-c3nn[n-]n3)CCO2)cc1 ZINC000735369869 598347211 /nfs/dbraw/zinc/34/72/11/598347211.db2.gz ZFGUAGAZYZJANB-LBPRGKRZSA-N -1 1 388.229 1.997 20 0 GDADMM CC(C)N(C)S(=O)(=O)c1ccc(CNc2nccnc2-c2nnn[n-]2)cc1 ZINC000735858755 598347632 /nfs/dbraw/zinc/34/76/32/598347632.db2.gz CKGUWWVYUZGCGT-UHFFFAOYSA-N -1 1 388.457 1.298 20 0 GDADMM CC(C)N(C)S(=O)(=O)c1ccc(CNc2nccnc2-c2nn[n-]n2)cc1 ZINC000735858755 598347634 /nfs/dbraw/zinc/34/76/34/598347634.db2.gz CKGUWWVYUZGCGT-UHFFFAOYSA-N -1 1 388.457 1.298 20 0 GDADMM O[C@H](CNc1nccnc1-c1nnn[n-]1)COc1ccc(C(F)(F)F)cc1 ZINC000738383131 598349139 /nfs/dbraw/zinc/34/91/39/598349139.db2.gz OTRRYXLBSFLBMO-SNVBAGLBSA-N -1 1 381.318 1.527 20 0 GDADMM O[C@H](CNc1nccnc1-c1nn[n-]n1)COc1ccc(C(F)(F)F)cc1 ZINC000738383131 598349141 /nfs/dbraw/zinc/34/91/41/598349141.db2.gz OTRRYXLBSFLBMO-SNVBAGLBSA-N -1 1 381.318 1.527 20 0 GDADMM CCc1nn(Cc2ccn(-c3cccc(F)c3)n2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736707110 598379604 /nfs/dbraw/zinc/37/96/04/598379604.db2.gz PUHNVALQDPDRBK-UHFFFAOYSA-N -1 1 394.414 1.921 20 0 GDADMM O=C(c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1)N1CCNC(=O)CC1 ZINC000738305013 598402416 /nfs/dbraw/zinc/40/24/16/598402416.db2.gz RUHZKPDSYQGKGX-UHFFFAOYSA-N -1 1 396.382 1.760 20 0 GDADMM O=C(c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1)N1CCNC(=O)CC1 ZINC000738305013 598402417 /nfs/dbraw/zinc/40/24/17/598402417.db2.gz RUHZKPDSYQGKGX-UHFFFAOYSA-N -1 1 396.382 1.760 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2CCOC3(CCSCC3)C2)n1 ZINC000822613230 607356206 /nfs/dbraw/zinc/35/62/06/607356206.db2.gz CLOIHQTXARXMCO-JTQLQIEISA-N -1 1 378.462 1.167 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2CCOC3(CCSCC3)C2)n1 ZINC000822613230 607356208 /nfs/dbraw/zinc/35/62/08/607356208.db2.gz CLOIHQTXARXMCO-JTQLQIEISA-N -1 1 378.462 1.167 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)Nc2cnn(-c3ccncc3)c2)cc1-c1nnn[n-]1 ZINC000737188124 598425100 /nfs/dbraw/zinc/42/51/00/598425100.db2.gz ZMAXSOVQFLDGJF-UHFFFAOYSA-N -1 1 395.408 1.522 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H](c2ccccc2)C2CCCC2)n(C)c1=O ZINC000737594856 598521623 /nfs/dbraw/zinc/52/16/23/598521623.db2.gz CHGQQQCXGMRXOT-HNNXBMFYSA-N -1 1 381.440 1.608 20 0 GDADMM C[C@H]1C[C@H]1NC(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000736241406 598528490 /nfs/dbraw/zinc/52/84/90/598528490.db2.gz XORYVVWEDPNPEU-WDEREUQCSA-N -1 1 384.400 1.355 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)Nc2ncccc2OC(F)F)cc1-c1nn[n-]n1 ZINC000737188072 598530303 /nfs/dbraw/zinc/53/03/03/598530303.db2.gz XTZMHEBMSFVHLZ-UHFFFAOYSA-N -1 1 395.351 1.938 20 0 GDADMM CCCN1C(=O)c2ccccc2N[C@H]1c1cnc2c(-c3nnn[n-]3)cnn2c1 ZINC000736479300 598543141 /nfs/dbraw/zinc/54/31/41/598543141.db2.gz HXRSFGRMLORYGX-MRXNPFEDSA-N -1 1 375.396 1.886 20 0 GDADMM CCCN1C(=O)c2ccccc2N[C@H]1c1cnc2c(-c3nn[n-]n3)cnn2c1 ZINC000736479300 598543142 /nfs/dbraw/zinc/54/31/42/598543142.db2.gz HXRSFGRMLORYGX-MRXNPFEDSA-N -1 1 375.396 1.886 20 0 GDADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(F)c(-c4nn[nH]n4)c3)cc2[nH]1 ZINC000738372989 598594529 /nfs/dbraw/zinc/59/45/29/598594529.db2.gz YYFPAXFELRWDFB-UHFFFAOYSA-N -1 1 375.345 1.389 20 0 GDADMM Cn1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cn1 ZINC000737607422 598695734 /nfs/dbraw/zinc/69/57/34/598695734.db2.gz ZVQXZKNPQNJMRW-AWEZNQCLSA-N -1 1 377.405 1.265 20 0 GDADMM O=c1c(-c2nn[n-]n2)cn(Cc2nnnn2Cc2ccccc2)c2ccccc12 ZINC000738372439 598720128 /nfs/dbraw/zinc/72/01/28/598720128.db2.gz QITKIYQXSFQCQL-UHFFFAOYSA-N -1 1 385.391 1.265 20 0 GDADMM CCc1nnc([C@@H](C)OC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)o1 ZINC000736708512 598722989 /nfs/dbraw/zinc/72/29/89/598722989.db2.gz XVZDULHPKGNRKS-SNVBAGLBSA-N -1 1 387.400 1.767 20 0 GDADMM Cc1nc([C@H]2CCCN2S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)no1 ZINC000737473845 599294432 /nfs/dbraw/zinc/29/44/32/599294432.db2.gz HYORHJLPLPYGTD-GFCCVEGCSA-N -1 1 379.377 1.223 20 0 GDADMM Cc1csc([C@@H]2CCCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC000737455014 599294527 /nfs/dbraw/zinc/29/45/27/599294527.db2.gz LRGPJVGJGBKXSW-LLVKDONJSA-N -1 1 391.482 1.595 20 0 GDADMM Cc1csc([C@@H]2CCCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC000737455014 599294528 /nfs/dbraw/zinc/29/45/28/599294528.db2.gz LRGPJVGJGBKXSW-LLVKDONJSA-N -1 1 391.482 1.595 20 0 GDADMM Cn1cc([C@H]2CCN(S(=O)(=O)c3ccc(Cl)cc3-c3nn[n-]n3)C2)cn1 ZINC000737606036 599295006 /nfs/dbraw/zinc/29/50/06/599295006.db2.gz PQZQZIYKFATBBS-JTQLQIEISA-N -1 1 393.860 1.432 20 0 GDADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CCC(=O)Nc2ccccc2C)c1 ZINC000821666950 599301850 /nfs/dbraw/zinc/30/18/50/599301850.db2.gz NHWNPKAZTYZBAW-UHFFFAOYSA-N -1 1 382.380 1.152 20 0 GDADMM CC(C)(C)OC(=O)N[C@H]1CCC[C@H](C(=O)n2ncc(-c3nn[n-]n3)c2N)C1 ZINC000819939869 599318227 /nfs/dbraw/zinc/31/82/27/599318227.db2.gz LDAYOXRSLFTIRJ-UWVGGRQHSA-N -1 1 376.421 1.369 20 0 GDADMM Cn1c(C(=O)n2ncc(-c3nn[n-]n3)c2N)cc2cc(C(F)(F)F)ccc21 ZINC000822595723 599319429 /nfs/dbraw/zinc/31/94/29/599319429.db2.gz BZGJTQIGIVSTDK-UHFFFAOYSA-N -1 1 376.302 1.844 20 0 GDADMM CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000736592270 599333294 /nfs/dbraw/zinc/33/32/94/599333294.db2.gz BSWRFAVFDJNRJC-JTQLQIEISA-N -1 1 399.860 1.484 20 0 GDADMM O=C(Nc1nnn[n-]1)c1ccccc1SCc1ccc(-c2nn[nH]n2)cc1 ZINC000738209730 599388033 /nfs/dbraw/zinc/38/80/33/599388033.db2.gz RUCUHNCSCWQDNQ-UHFFFAOYSA-N -1 1 379.409 1.924 20 0 GDADMM O=C(Nc1nn[n-]n1)c1ccccc1SCc1ccc(-c2nn[nH]n2)cc1 ZINC000738209730 599388036 /nfs/dbraw/zinc/38/80/36/599388036.db2.gz RUCUHNCSCWQDNQ-UHFFFAOYSA-N -1 1 379.409 1.924 20 0 GDADMM CCc1ccccc1NC(=O)CN1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000736701861 599396833 /nfs/dbraw/zinc/39/68/33/599396833.db2.gz JVGQFJQQAYSTES-UHFFFAOYSA-N -1 1 392.467 1.585 20 0 GDADMM CCc1ccccc1NC(=O)CN1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000736701861 599396836 /nfs/dbraw/zinc/39/68/36/599396836.db2.gz JVGQFJQQAYSTES-UHFFFAOYSA-N -1 1 392.467 1.585 20 0 GDADMM Cc1ccc(S(=O)(=O)N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)s1 ZINC000737369170 599399607 /nfs/dbraw/zinc/39/96/07/599399607.db2.gz GUWBYYSCACXSDO-UHFFFAOYSA-N -1 1 391.482 1.143 20 0 GDADMM Cc1ccc(S(=O)(=O)N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)s1 ZINC000737369170 599399610 /nfs/dbraw/zinc/39/96/10/599399610.db2.gz GUWBYYSCACXSDO-UHFFFAOYSA-N -1 1 391.482 1.143 20 0 GDADMM CC(C)NS(=O)(=O)Cc1ccc(CNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000735892608 599415553 /nfs/dbraw/zinc/41/55/53/599415553.db2.gz LUEJTVZLBAQZFF-UHFFFAOYSA-N -1 1 387.469 1.702 20 0 GDADMM CC(C)NS(=O)(=O)Cc1ccc(CNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000735892608 599415556 /nfs/dbraw/zinc/41/55/56/599415556.db2.gz LUEJTVZLBAQZFF-UHFFFAOYSA-N -1 1 387.469 1.702 20 0 GDADMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc(C(=O)OC(C)(C)C)cc2)c1=O ZINC000821565332 607376855 /nfs/dbraw/zinc/37/68/55/607376855.db2.gz NXKAKPYBIKJODC-UHFFFAOYSA-N -1 1 398.423 1.214 20 0 GDADMM FC(F)(F)c1ccnc(N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)n1 ZINC000737638656 599430351 /nfs/dbraw/zinc/43/03/51/599430351.db2.gz ITMUGRNTPUUTOZ-UHFFFAOYSA-N -1 1 377.334 1.397 20 0 GDADMM FC(F)(F)c1ccnc(N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)n1 ZINC000737638656 599430353 /nfs/dbraw/zinc/43/03/53/599430353.db2.gz ITMUGRNTPUUTOZ-UHFFFAOYSA-N -1 1 377.334 1.397 20 0 GDADMM Cc1cccc(O[C@H](C)C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)CC2)c1 ZINC000737400389 599473618 /nfs/dbraw/zinc/47/36/18/599473618.db2.gz AZXPFEGIFTUSQE-CQSZACIVSA-N -1 1 394.439 1.081 20 0 GDADMM Cc1cccc(O[C@H](C)C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)CC2)c1 ZINC000737400389 599473620 /nfs/dbraw/zinc/47/36/20/599473620.db2.gz AZXPFEGIFTUSQE-CQSZACIVSA-N -1 1 394.439 1.081 20 0 GDADMM CC1=C(C(=O)N(C)C)[C@H](c2ccc(-c3nnn[n-]3)o2)NC(=O)N1CCC(C)C ZINC000820634734 599491982 /nfs/dbraw/zinc/49/19/82/599491982.db2.gz IOEXLEDYEFMTPQ-HNNXBMFYSA-N -1 1 387.444 1.934 20 0 GDADMM CC1=C(C(=O)N(C)C)[C@H](c2ccc(-c3nn[n-]n3)o2)NC(=O)N1CCC(C)C ZINC000820634734 599491984 /nfs/dbraw/zinc/49/19/84/599491984.db2.gz IOEXLEDYEFMTPQ-HNNXBMFYSA-N -1 1 387.444 1.934 20 0 GDADMM Cc1nn(CC(=O)c2cccc(OC(F)F)c2)c(=O)c(-c2nn[n-]n2)c1C ZINC000737513210 599520924 /nfs/dbraw/zinc/52/09/24/599520924.db2.gz IOBJHSUCMXKCNF-UHFFFAOYSA-N -1 1 376.323 1.525 20 0 GDADMM Cc1nc2n(c1C)CCN(C(=O)CCc1c(C)[nH]c(=O)c(-c3nn[n-]n3)c1C)C2 ZINC000737489954 599572072 /nfs/dbraw/zinc/57/20/72/599572072.db2.gz NRYBIIWYKVIKST-UHFFFAOYSA-N -1 1 396.455 1.372 20 0 GDADMM CSC[C@@](C)(O)CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 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/nfs/dbraw/zinc/40/24/41/602402441.db2.gz GITCVAUZXSQNCP-HNNXBMFYSA-N -1 1 385.395 1.853 20 0 GDADMM CCC[C@](C)(NC(=O)[O-])C(=O)N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC000739283539 602420001 /nfs/dbraw/zinc/42/00/01/602420001.db2.gz GHEVMBLDVGPJRQ-APWZRJJASA-N -1 1 384.521 1.066 20 0 GDADMM C[C@H](NC(=O)[O-])C1CCN(CC(=O)NCCCN2CCCCCC2=O)CC1 ZINC000739025475 602443535 /nfs/dbraw/zinc/44/35/35/602443535.db2.gz KDPVWQQLYIPNPJ-HNNXBMFYSA-N -1 1 382.505 1.263 20 0 GDADMM C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)N1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000739014007 602444968 /nfs/dbraw/zinc/44/49/68/602444968.db2.gz CLTMTMGLXHRNFW-LZWOXQAQSA-N -1 1 391.468 1.699 20 0 GDADMM C[C@@H](NC(=O)[O-])C1CC[NH+]([C@@H]2CC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)CC1 ZINC000739025449 602456577 /nfs/dbraw/zinc/45/65/77/602456577.db2.gz JUYURCRBLYMTTJ-IAQYHMDHSA-N -1 1 389.408 1.385 20 0 GDADMM C[C@H](NC(=O)[O-])C1CCN(C(=O)CCNC(=O)c2n[nH]c3ccccc32)CC1 ZINC000738995464 602459366 /nfs/dbraw/zinc/45/93/66/602459366.db2.gz DKVIIPZUEVYAOM-LBPRGKRZSA-N -1 1 387.440 1.578 20 0 GDADMM C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737560419 602534400 /nfs/dbraw/zinc/53/44/00/602534400.db2.gz IOGZKMUEDAGFOA-HNNXBMFYSA-N -1 1 392.475 1.937 20 0 GDADMM CN1CCN(c2cc(CNC(=O)[C@@H](Cc3ccccc3)NC(=O)[O-])ccn2)CC1 ZINC000739737331 602567532 /nfs/dbraw/zinc/56/75/32/602567532.db2.gz XHKRHZVFLVGKLQ-GOSISDBHSA-N -1 1 397.479 1.329 20 0 GDADMM CCOC(=O)c1ccccc1OS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825565785 607575578 /nfs/dbraw/zinc/57/55/78/607575578.db2.gz YKWAGTGBSPZTHF-UHFFFAOYSA-N -1 1 392.368 1.950 20 0 GDADMM CCOC(=O)c1ccccc1OS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825565785 607575579 /nfs/dbraw/zinc/57/55/79/607575579.db2.gz YKWAGTGBSPZTHF-UHFFFAOYSA-N -1 1 392.368 1.950 20 0 GDADMM COc1ccc(-c2n[nH]c(CNC(=O)NC[C@@H]3CCCCN3C(=O)[O-])n2)cc1 ZINC000739879456 602622379 /nfs/dbraw/zinc/62/23/79/602622379.db2.gz LZQHAYQNYHAOJB-ZDUSSCGKSA-N -1 1 388.428 1.812 20 0 GDADMM COc1ccc(-c2nc(CNC(=O)NC[C@@H]3CCCCN3C(=O)[O-])n[nH]2)cc1 ZINC000739879456 602622380 /nfs/dbraw/zinc/62/23/80/602622380.db2.gz LZQHAYQNYHAOJB-ZDUSSCGKSA-N -1 1 388.428 1.812 20 0 GDADMM CN(CCCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000825919200 607576624 /nfs/dbraw/zinc/57/66/24/607576624.db2.gz XSSBXZHUZMGYGL-UHFFFAOYSA-N -1 1 390.444 1.811 20 0 GDADMM O=C([O-])N1CC[C@@H](NC(=O)C(=O)Nc2ccccc2CN2CCSCC2)C1 ZINC000740475234 602647867 /nfs/dbraw/zinc/64/78/67/602647867.db2.gz AFYPFNIBUJSKFW-CQSZACIVSA-N -1 1 392.481 1.042 20 0 GDADMM COc1ccc(NC(=O)[O-])c(NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c1 ZINC000739924045 602652562 /nfs/dbraw/zinc/65/25/62/602652562.db2.gz OMZDYGNZXKEQSI-UHFFFAOYSA-N -1 1 393.377 1.917 20 0 GDADMM CN1CCN(c2ccccc2NC(=O)c2csc(CNC(=O)[O-])n2)CC1 ZINC000739737200 602695493 /nfs/dbraw/zinc/69/54/93/602695493.db2.gz VAHMSJVFUJXNJE-UHFFFAOYSA-N -1 1 375.454 1.915 20 0 GDADMM O=C([O-])N1CC[C@H](CCNC(=O)NC2CCN(Cc3ccccn3)CC2)C1 ZINC000740430911 602697056 /nfs/dbraw/zinc/69/70/56/602697056.db2.gz VZALRPMOUNZBIU-HNNXBMFYSA-N -1 1 375.473 1.735 20 0 GDADMM O=C([O-])N1CCC[C@@H](CN2CCN(CC(=O)N3CCc4ccccc43)CC2)C1 ZINC000740510538 602703286 /nfs/dbraw/zinc/70/32/86/602703286.db2.gz HBFUVMRFFHNAMZ-KRWDZBQOSA-N -1 1 386.496 1.583 20 0 GDADMM CC1CCC(NC(=O)CN2CCN(C[C@@H]3CCCN(C(=O)[O-])C3)CC2)CC1 ZINC000739084058 602705528 /nfs/dbraw/zinc/70/55/28/602705528.db2.gz GWOXSRKGHRVNLV-ADKAHSJRSA-N -1 1 380.533 1.689 20 0 GDADMM C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C[C@H]3CCCN(C(=O)[O-])C3)CC2)C1 ZINC000739087710 602707315 /nfs/dbraw/zinc/70/73/15/602707315.db2.gz CLQGRLMQDKLNCG-KURKYZTESA-N -1 1 380.533 1.689 20 0 GDADMM CN1CCN(c2cc(C(=O)NCC3(NC(=O)[O-])CCCCC3)ccn2)CC1 ZINC000739736327 602710463 /nfs/dbraw/zinc/71/04/63/602710463.db2.gz JGUXFAKKSVGWNX-UHFFFAOYSA-N -1 1 375.473 1.534 20 0 GDADMM O=C([O-])N1CCC[C@H](CN2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)C1 ZINC000740513032 602737543 /nfs/dbraw/zinc/73/75/43/602737543.db2.gz SQUHEJMNMMXIAV-IEBWSBKVSA-N -1 1 386.496 1.800 20 0 GDADMM CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)NCCN(C)C(=O)[O-])c2C1 ZINC000738764139 602765963 /nfs/dbraw/zinc/76/59/63/602765963.db2.gz DBBGTXLQHHVPME-ZDUSSCGKSA-N -1 1 376.457 1.711 20 0 GDADMM CCN1CCN(c2ccc(CNC(=O)CCC(C)(C)NC(=O)[O-])cn2)CC1 ZINC000739457332 602824487 /nfs/dbraw/zinc/82/44/87/602824487.db2.gz RVNBQTUGXQHERD-UHFFFAOYSA-N -1 1 377.489 1.666 20 0 GDADMM CN(CCCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)CC(F)(F)F ZINC000825919149 607588570 /nfs/dbraw/zinc/58/85/70/607588570.db2.gz VRWBRSPMNDJJLC-UHFFFAOYSA-N -1 1 396.370 1.168 20 0 GDADMM COc1cccc([C@@H](CNC(=O)[C@H]2COCCN2C(=O)[O-])N2CCCC2)c1 ZINC000739945760 602827744 /nfs/dbraw/zinc/82/77/44/602827744.db2.gz OJCXCGTZEDKQCD-IAGOWNOFSA-N -1 1 377.441 1.327 20 0 GDADMM C[C@@H]1CN(CCC(=O)Nc2ccc(N3CCOCC3)cc2)C[C@H](C)N1C(=O)[O-] ZINC000739185301 602840758 /nfs/dbraw/zinc/84/07/58/602840758.db2.gz YXRNLEMBXJCBCG-IYBDPMFKSA-N -1 1 390.484 1.924 20 0 GDADMM O=C([O-])N1CCOC[C@@H]1C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000740406823 602846007 /nfs/dbraw/zinc/84/60/07/602846007.db2.gz WJMPCNSBVZDBBH-HZPDHXFCSA-N -1 1 381.860 1.972 20 0 GDADMM COc1ccc(-c2n[nH]c(CNC(=O)NC[C@H](NC(=O)[O-])C(C)C)n2)cc1 ZINC000739880107 602847614 /nfs/dbraw/zinc/84/76/14/602847614.db2.gz SGUSPIYGPUDLER-ZDUSSCGKSA-N -1 1 376.417 1.572 20 0 GDADMM COc1ccc(-c2nc(CNC(=O)NC[C@H](NC(=O)[O-])C(C)C)n[nH]2)cc1 ZINC000739880107 602847616 /nfs/dbraw/zinc/84/76/16/602847616.db2.gz SGUSPIYGPUDLER-ZDUSSCGKSA-N -1 1 376.417 1.572 20 0 GDADMM COc1ccc(COC[C@H](O)CN2C[C@@H](C)N(C(=O)[O-])[C@H](C)C2)cc1OC ZINC000739904119 602939407 /nfs/dbraw/zinc/93/94/07/602939407.db2.gz UJHCVKNNCDNEAE-IIAWOOMASA-N -1 1 382.457 1.654 20 0 GDADMM O=C([O-])N1CC[C@@H](CN2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000740500803 602978033 /nfs/dbraw/zinc/97/80/33/602978033.db2.gz RZUXJPVSEJECKT-AWEZNQCLSA-N -1 1 385.461 1.522 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CN2CCOCC2)C1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823662724 602998630 /nfs/dbraw/zinc/99/86/30/602998630.db2.gz PJTRTHXXPWIVAJ-JZXOWHBKSA-N -1 1 375.469 1.812 20 0 GDADMM COCC[C@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826154295 607603696 /nfs/dbraw/zinc/60/36/96/607603696.db2.gz MAZKOXVTWYXDHF-QMMMGPOBSA-N -1 1 379.364 1.589 20 0 GDADMM NC(=O)c1ccc(C(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)cc1 ZINC000740333837 603060505 /nfs/dbraw/zinc/06/05/05/603060505.db2.gz MCRDHWYKVZNECE-UHFFFAOYSA-N -1 1 380.364 1.591 20 0 GDADMM NC(=O)c1ccc(C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)cc1 ZINC000740333837 603060507 /nfs/dbraw/zinc/06/05/07/603060507.db2.gz MCRDHWYKVZNECE-UHFFFAOYSA-N -1 1 380.364 1.591 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCC(C2OCCO2)CC1 ZINC000826495392 607604249 /nfs/dbraw/zinc/60/42/49/607604249.db2.gz OBFSWGPPZWMIRX-UHFFFAOYSA-N -1 1 399.860 1.294 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCC(C2OCCO2)CC1 ZINC000826495392 607604251 /nfs/dbraw/zinc/60/42/51/607604251.db2.gz OBFSWGPPZWMIRX-UHFFFAOYSA-N -1 1 399.860 1.294 20 0 GDADMM C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)C(=O)N1CCCC[C@H]1C ZINC000824641561 607604269 /nfs/dbraw/zinc/60/42/69/607604269.db2.gz WXJWDLDCUSOQRM-GHMZBOCLSA-N -1 1 396.448 1.074 20 0 GDADMM C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)C(=O)N1CCCC[C@H]1C ZINC000824641561 607604270 /nfs/dbraw/zinc/60/42/70/607604270.db2.gz WXJWDLDCUSOQRM-GHMZBOCLSA-N -1 1 396.448 1.074 20 0 GDADMM Cc1nnc([C@H]2CN(C(=O)[C@H](NC(=O)[O-])c3cccc(Cl)c3)CCO2)[nH]1 ZINC000830672020 603076294 /nfs/dbraw/zinc/07/62/94/603076294.db2.gz IKBYEBTZAVPGBS-CHWSQXEVSA-N -1 1 379.804 1.675 20 0 GDADMM CCCc1nnc([C@H]2CN(C(=O)[C@H](CNC(=O)[O-])c3ccccc3)CCO2)[nH]1 ZINC000826953218 603078966 /nfs/dbraw/zinc/07/89/66/603078966.db2.gz GFPFKFFNKUGPLE-HUUCEWRRSA-N -1 1 387.440 1.709 20 0 GDADMM CCCc1n[nH]c([C@H]2CN(C(=O)[C@H](CNC(=O)[O-])c3ccccc3)CCO2)n1 ZINC000826953218 603078970 /nfs/dbraw/zinc/07/89/70/603078970.db2.gz GFPFKFFNKUGPLE-HUUCEWRRSA-N -1 1 387.440 1.709 20 0 GDADMM CSCC[C@@H](NC(=O)[O-])C(=O)N1CCO[C@H](c2nc(C(C)(C)C)n[nH]2)C1 ZINC000829730966 603080105 /nfs/dbraw/zinc/08/01/05/603080105.db2.gz PLYSXXBYKZBRHR-MNOVXSKESA-N -1 1 385.490 1.391 20 0 GDADMM CSCC[C@@H](NC(=O)[O-])C(=O)N1CCO[C@H](c2nnc(C(C)(C)C)[nH]2)C1 ZINC000829730966 603080112 /nfs/dbraw/zinc/08/01/12/603080112.db2.gz PLYSXXBYKZBRHR-MNOVXSKESA-N -1 1 385.490 1.391 20 0 GDADMM COc1cccc([C@H](CNC(=O)[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])N(C)C)c1 ZINC000739946905 603107775 /nfs/dbraw/zinc/10/77/75/603107775.db2.gz YMKBQVGODOZDPG-KCXAZCMYSA-N -1 1 379.457 1.918 20 0 GDADMM CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000824109626 607608635 /nfs/dbraw/zinc/60/86/35/607608635.db2.gz TWIHYVQSFXDSEE-OLZOCXBDSA-N -1 1 388.428 1.998 20 0 GDADMM CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000824109626 607608637 /nfs/dbraw/zinc/60/86/37/607608637.db2.gz TWIHYVQSFXDSEE-OLZOCXBDSA-N -1 1 388.428 1.998 20 0 GDADMM CC[C@@H](COC)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825121811 607620726 /nfs/dbraw/zinc/62/07/26/607620726.db2.gz VQWBQFXDVJGCFA-VIFPVBQESA-N -1 1 379.364 1.589 20 0 GDADMM O=S(=O)(NC[C@@H](O)c1ccc(F)cc1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826489704 607625589 /nfs/dbraw/zinc/62/55/89/607625589.db2.gz XOKJHUJZEYKYLV-GFCCVEGCSA-N -1 1 397.819 1.671 20 0 GDADMM O=S(=O)(NC[C@@H](O)c1ccc(F)cc1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826489704 607625590 /nfs/dbraw/zinc/62/55/90/607625590.db2.gz XOKJHUJZEYKYLV-GFCCVEGCSA-N -1 1 397.819 1.671 20 0 GDADMM O=S(=O)(NC[C@@H](O)c1ccccc1F)c1cccc(F)c1-c1nnn[n-]1 ZINC000826489285 607625594 /nfs/dbraw/zinc/62/55/94/607625594.db2.gz LQLQBAHPKPAVRN-GFCCVEGCSA-N -1 1 381.364 1.157 20 0 GDADMM O=S(=O)(NC[C@@H](O)c1ccccc1F)c1cccc(F)c1-c1nn[n-]n1 ZINC000826489285 607625596 /nfs/dbraw/zinc/62/55/96/607625596.db2.gz LQLQBAHPKPAVRN-GFCCVEGCSA-N -1 1 381.364 1.157 20 0 GDADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)NCCCNC(=O)[O-] ZINC000827418054 603393598 /nfs/dbraw/zinc/39/35/98/603393598.db2.gz JMYWJHUCVNOUQH-UHFFFAOYSA-N -1 1 379.461 1.616 20 0 GDADMM Cc1ccc([C@@H](O)CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000826284062 607626853 /nfs/dbraw/zinc/62/68/53/607626853.db2.gz IXZDJRQOCZKPKQ-AWEZNQCLSA-N -1 1 377.401 1.326 20 0 GDADMM C[C@@H]1CN(CC(=O)N2CCN(c3ccccc3F)CC2)CC[C@H]1NC(=O)[O-] ZINC000739168019 603414770 /nfs/dbraw/zinc/41/47/70/603414770.db2.gz CFEBJYNUPNOGBK-GDBMZVCRSA-N -1 1 378.448 1.452 20 0 GDADMM CN(C(=O)CCN1CCN(c2ccccn2)CC1)C1CCC(NC(=O)[O-])CC1 ZINC000827759565 603471551 /nfs/dbraw/zinc/47/15/51/603471551.db2.gz UZYBMILMXGXMSI-UHFFFAOYSA-N -1 1 389.500 1.631 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N(Cc1cccc(O)c1)CC1CC1 ZINC000826494472 607631486 /nfs/dbraw/zinc/63/14/86/607631486.db2.gz DGBZTRZBMNFELZ-UHFFFAOYSA-N -1 1 386.437 1.568 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N(Cc1cccc(O)c1)CC1CC1 ZINC000826494472 607631487 /nfs/dbraw/zinc/63/14/87/607631487.db2.gz DGBZTRZBMNFELZ-UHFFFAOYSA-N -1 1 386.437 1.568 20 0 GDADMM CCCc1nc([C@@H]2CN(C(=O)NC[C@H]3CCCN(C(=O)[O-])C3)CCO2)n[nH]1 ZINC000826954652 603497504 /nfs/dbraw/zinc/49/75/04/603497504.db2.gz SXEGFHOGNLHTTO-OLZOCXBDSA-N -1 1 380.449 1.230 20 0 GDADMM CCCc1n[nH]c([C@@H]2CN(C(=O)NC[C@H]3CCCN(C(=O)[O-])C3)CCO2)n1 ZINC000826954652 603497507 /nfs/dbraw/zinc/49/75/07/603497507.db2.gz SXEGFHOGNLHTTO-OLZOCXBDSA-N -1 1 380.449 1.230 20 0 GDADMM O=C([O-])N[C@H](C(=O)N1CCN(C2CCOCC2)CC1)c1cccc(Cl)c1 ZINC000832091287 603515163 /nfs/dbraw/zinc/51/51/63/603515163.db2.gz DCOOIWMKLBEXQO-INIZCTEOSA-N -1 1 381.860 1.972 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000826495370 607634239 /nfs/dbraw/zinc/63/42/39/607634239.db2.gz NHMLVVUZWYYFDR-KOLCDFICSA-N -1 1 395.338 1.082 20 0 GDADMM CC[C@H]1CN2CCCC[C@H]2CN1C(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1 ZINC000826690198 603523350 /nfs/dbraw/zinc/52/33/50/603523350.db2.gz JZEDACCYPZVJBR-HOCLYGCPSA-N -1 1 390.488 1.682 20 0 GDADMM CN(C)Cc1ccsc1C(=O)N1CCC[C@H](C(=O)NCCNC(=O)[O-])C1 ZINC000828046832 603530463 /nfs/dbraw/zinc/53/04/63/603530463.db2.gz SKQIZSPHFDKSMK-ZDUSSCGKSA-N -1 1 382.486 1.046 20 0 GDADMM C[C@](O)(CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)C1CC1 ZINC000824671076 607636376 /nfs/dbraw/zinc/63/63/76/607636376.db2.gz WJMJZPLOPRACFO-ZDUSSCGKSA-N -1 1 391.375 1.325 20 0 GDADMM O=C([O-])NC[C@@H]1CCCN1CC(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000832572510 603576242 /nfs/dbraw/zinc/57/62/42/603576242.db2.gz CBSWFHFHHHXYSL-KRWDZBQOSA-N -1 1 392.525 1.906 20 0 GDADMM COc1ccccc1[C@@H](CO)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826219269 607639557 /nfs/dbraw/zinc/63/95/57/607639557.db2.gz XEUOOHIRNHMLPU-GFCCVEGCSA-N -1 1 393.400 1.026 20 0 GDADMM COc1ccccc1[C@@H](CO)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826219269 607639559 /nfs/dbraw/zinc/63/95/59/607639559.db2.gz XEUOOHIRNHMLPU-GFCCVEGCSA-N -1 1 393.400 1.026 20 0 GDADMM O=S(=O)(N[C@H](CCO)c1ccccc1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826492309 607644335 /nfs/dbraw/zinc/64/43/35/607644335.db2.gz CGBHBSSVECVENV-CQSZACIVSA-N -1 1 377.401 1.408 20 0 GDADMM C[C@H]1CCCN(C(=O)CCNC(=O)c2n[nH]c3ccccc32)[C@H]1CNC(=O)[O-] ZINC000825906899 603685078 /nfs/dbraw/zinc/68/50/78/603685078.db2.gz UUUVRCORRDSKHD-WFASDCNBSA-N -1 1 387.440 1.578 20 0 GDADMM O=C([O-])N1CCCC[C@@H]1CNC(=O)CCN1CCN(c2ccccn2)CC1 ZINC000831431761 603701147 /nfs/dbraw/zinc/70/11/47/603701147.db2.gz BMPRPAZNAIPDTN-MRXNPFEDSA-N -1 1 375.473 1.242 20 0 GDADMM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N1CCC(CCN2CCOCC2)CC1 ZINC000826102457 603708594 /nfs/dbraw/zinc/70/85/94/603708594.db2.gz YYWPCYRVOUBHFT-GOEBONIOSA-N -1 1 383.489 1.451 20 0 GDADMM C[C@H](NC(=O)[O-])[C@@H]1CCCCN1C(=O)CCN1CCN(c2ccccn2)CC1 ZINC000825191707 603718531 /nfs/dbraw/zinc/71/85/31/603718531.db2.gz AKWPFGQHVAUZJT-IRXDYDNUSA-N -1 1 389.500 1.631 20 0 GDADMM CCN(Cc1ccccc1NC(=O)C(=O)N1CC[C@@H](N2CC=CC2)C1)C(=O)[O-] ZINC000827176763 603735929 /nfs/dbraw/zinc/73/59/29/603735929.db2.gz OQRVPXLVIMNKKU-MRXNPFEDSA-N -1 1 386.452 1.598 20 0 GDADMM Cc1oc(NC(=O)CN(C)C2CCC(NC(=O)[O-])CC2)c2c1c(C)n[nH]c2=O ZINC000830671567 603837185 /nfs/dbraw/zinc/83/71/85/603837185.db2.gz CHFPFFBOVQYABB-UHFFFAOYSA-N -1 1 391.428 1.994 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCC[C@H](n2cncn2)C1 ZINC000826494937 607656958 /nfs/dbraw/zinc/65/69/58/607656958.db2.gz VWRLXHJXQXCYGD-NSHDSACASA-N -1 1 394.848 1.137 20 0 GDADMM O=C([O-])N(CC(=O)NC1CCN(Cc2cccnc2)CC1)C[C@H]1CCCO1 ZINC000831474148 603897717 /nfs/dbraw/zinc/89/77/17/603897717.db2.gz KOWWNDBUGRGNCS-QGZVFWFLSA-N -1 1 376.457 1.321 20 0 GDADMM C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2 ZINC000826049808 603908100 /nfs/dbraw/zinc/90/81/00/603908100.db2.gz OEOPBASWUPKZOU-PXAZEXFGSA-N -1 1 386.452 1.260 20 0 GDADMM CC(C)(C)OC(=O)NCC(=O)Nc1ccc(-c2nc(CNC(=O)[O-])n[nH]2)cc1 ZINC000823817552 603908517 /nfs/dbraw/zinc/90/85/17/603908517.db2.gz OLTOSNNFQGYRPX-UHFFFAOYSA-N -1 1 390.400 1.703 20 0 GDADMM CC(C)(C)OC(=O)NCC(=O)Nc1ccc(-c2n[nH]c(CNC(=O)[O-])n2)cc1 ZINC000823817552 603908520 /nfs/dbraw/zinc/90/85/20/603908520.db2.gz OLTOSNNFQGYRPX-UHFFFAOYSA-N -1 1 390.400 1.703 20 0 GDADMM CC(C)[C@H](CNC(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)[O-])N1CCN(C)CC1 ZINC000824117530 603921755 /nfs/dbraw/zinc/92/17/55/603921755.db2.gz PNTBMAPLPZJQAV-ZACQAIPSSA-N -1 1 383.537 1.384 20 0 GDADMM C[C@H](NC(=O)CN(C[C@@H]1CCCO1)C(=O)[O-])C1(N2CCOCC2)CCCC1 ZINC000825114286 603923187 /nfs/dbraw/zinc/92/31/87/603923187.db2.gz CIMGKXGPAPBSPJ-HOTGVXAUSA-N -1 1 383.489 1.295 20 0 GDADMM CCOC(=O)[C@@H](CC1CC1)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825486014 607660543 /nfs/dbraw/zinc/66/05/43/607660543.db2.gz LVOXLYAFFYBNQD-LLVKDONJSA-N -1 1 383.405 1.016 20 0 GDADMM CCOC(=O)[C@@H](CC1CC1)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825486014 607660545 /nfs/dbraw/zinc/66/05/45/607660545.db2.gz LVOXLYAFFYBNQD-LLVKDONJSA-N -1 1 383.405 1.016 20 0 GDADMM CC(C)[C@H](CNC(=O)[C@H]1CCCCCC[C@@H]1NC(=O)[O-])N1CCN(C)CC1 ZINC000824110591 603936458 /nfs/dbraw/zinc/93/64/58/603936458.db2.gz MUGYLJVVMMWQHK-BZSNNMDCSA-N -1 1 382.549 1.981 20 0 GDADMM O=C(CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)OC1CCCCC1 ZINC000826413299 607661193 /nfs/dbraw/zinc/66/11/93/607661193.db2.gz ZQSRCMRFFUHTIN-UHFFFAOYSA-N -1 1 383.405 1.160 20 0 GDADMM O=C(CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)OC1CCCCC1 ZINC000826413299 607661195 /nfs/dbraw/zinc/66/11/95/607661195.db2.gz ZQSRCMRFFUHTIN-UHFFFAOYSA-N -1 1 383.405 1.160 20 0 GDADMM C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)[C@H](O)c1cccc(F)c1 ZINC000824640131 607662116 /nfs/dbraw/zinc/66/21/16/607662116.db2.gz AUFZLEKDDXOSGE-PSLIRLAXSA-N -1 1 395.391 1.545 20 0 GDADMM C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)[C@H](O)c1cccc(F)c1 ZINC000824640131 607662119 /nfs/dbraw/zinc/66/21/19/607662119.db2.gz AUFZLEKDDXOSGE-PSLIRLAXSA-N -1 1 395.391 1.545 20 0 GDADMM C[C@H](Cc1ccncc1)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824465672 607663847 /nfs/dbraw/zinc/66/38/47/607663847.db2.gz RGOYBOWKEMGCSR-SNVBAGLBSA-N -1 1 378.845 1.825 20 0 GDADMM C[C@H](Cc1ccncc1)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824465672 607663849 /nfs/dbraw/zinc/66/38/49/607663849.db2.gz RGOYBOWKEMGCSR-SNVBAGLBSA-N -1 1 378.845 1.825 20 0 GDADMM CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C1CCN(C(=O)[O-])CC1 ZINC000828115437 603981005 /nfs/dbraw/zinc/98/10/05/603981005.db2.gz SYSNXXXAYDRASY-UHFFFAOYSA-N -1 1 376.457 1.536 20 0 GDADMM Cc1nc(CN2CCN(C(=O)[C@@H]3CCCCCC[C@H]3NC(=O)[O-])CC2)n[nH]1 ZINC000830750474 603986543 /nfs/dbraw/zinc/98/65/43/603986543.db2.gz CBXMFCIFXQIWSC-HUUCEWRRSA-N -1 1 378.477 1.364 20 0 GDADMM C[C@@H](NC(=O)[O-])C1CCN(C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)CC1 ZINC000825281995 604001834 /nfs/dbraw/zinc/00/18/34/604001834.db2.gz WTECHHMPKOAEEI-LLVKDONJSA-N -1 1 390.465 1.580 20 0 GDADMM O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000832457055 604006254 /nfs/dbraw/zinc/00/62/54/604006254.db2.gz HPRDTWVOAFNCDM-JQWIXIFHSA-N -1 1 376.438 1.238 20 0 GDADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000827419034 604015099 /nfs/dbraw/zinc/01/50/99/604015099.db2.gz WLPAFPKGIKIYPQ-INIZCTEOSA-N -1 1 392.456 1.154 20 0 GDADMM CCCC[C@@H](CNC(=O)[O-])NC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000826806479 604015712 /nfs/dbraw/zinc/01/57/12/604015712.db2.gz NSTBCVFGEMVLBR-NSHDSACASA-N -1 1 378.454 1.778 20 0 GDADMM C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc3c(c2)CN(C(=O)[O-])CC3)CN1C1CC1 ZINC000825787603 604041781 /nfs/dbraw/zinc/04/17/81/604041781.db2.gz BVOCZIXDRMFJQE-WBMJQRKESA-N -1 1 386.452 1.403 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000826495140 607668315 /nfs/dbraw/zinc/66/83/15/607668315.db2.gz DPZCOAIYOIJDRM-JTQLQIEISA-N -1 1 393.860 1.812 20 0 GDADMM CC(C)(C)OC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824100532 607673010 /nfs/dbraw/zinc/67/30/10/607673010.db2.gz UATMRLNIZLUJEO-LLVKDONJSA-N -1 1 397.432 1.501 20 0 GDADMM CC(C)(C)OC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824100532 607673012 /nfs/dbraw/zinc/67/30/12/607673012.db2.gz UATMRLNIZLUJEO-LLVKDONJSA-N -1 1 397.432 1.501 20 0 GDADMM O=S(=O)(N[C@H]1CCO[C@]2(CCSC2)C1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826489145 607676905 /nfs/dbraw/zinc/67/69/05/607676905.db2.gz IRORVRXDAJJROI-ZUZCIYMTSA-N -1 1 399.473 1.339 20 0 GDADMM O=S(=O)(N[C@H]1CCO[C@]2(CCSC2)C1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826489145 607676906 /nfs/dbraw/zinc/67/69/06/607676906.db2.gz IRORVRXDAJJROI-ZUZCIYMTSA-N -1 1 399.473 1.339 20 0 GDADMM COc1ccc(CNC(=O)CN2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)cc1OC ZINC000829370728 604204382 /nfs/dbraw/zinc/20/43/82/604204382.db2.gz FQEGSWYWBVIGKL-DZGCQCFKSA-N -1 1 379.457 1.688 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)N1CCC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000825255070 604223193 /nfs/dbraw/zinc/22/31/93/604223193.db2.gz PKYJPXJASGDJAF-ZJIFWQFVSA-N -1 1 391.468 1.699 20 0 GDADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN([C@@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)C1 ZINC000825255063 604223353 /nfs/dbraw/zinc/22/33/53/604223353.db2.gz PKYJPXJASGDJAF-CAOSSQGBSA-N -1 1 391.468 1.699 20 0 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605607904 /nfs/dbraw/zinc/60/79/04/605607904.db2.gz XMMCDYPXGRSKLG-IAGOWNOFSA-N -1 1 393.488 1.285 20 0 GDADMM C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCC(CCN(C)C(=O)[O-])CC1 ZINC000833789009 605651411 /nfs/dbraw/zinc/65/14/11/605651411.db2.gz FKKJMAGLXCWCAG-ZDUSSCGKSA-N -1 1 376.457 1.824 20 0 GDADMM O=C([O-])N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(Cc2cnc3cnccn23)C1 ZINC000834026276 605686124 /nfs/dbraw/zinc/68/61/24/605686124.db2.gz MANNVDCZBHCGGM-GOEBONIOSA-N -1 1 386.456 1.200 20 0 GDADMM COC(=O)[C@H]1CCN(CCCOc2ccc(S(C)(=O)=O)cc2)[C@@H](C(=O)[O-])C1 ZINC000833705580 605687995 /nfs/dbraw/zinc/68/79/95/605687995.db2.gz DGZXUCKFUKXSIE-XJKSGUPXSA-N -1 1 399.465 1.197 20 0 GDADMM N=C(NOCc1nn(-c2ccccc2)c2c1CCC2)[C@@H]1COCCN1C(=O)[O-] ZINC000833981151 605731715 /nfs/dbraw/zinc/73/17/15/605731715.db2.gz RYFBPLMEJUMLSR-KRWDZBQOSA-N -1 1 385.424 1.738 20 0 GDADMM C[C@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2O)CCN1CCC(=O)[O-] ZINC000833617911 605766762 /nfs/dbraw/zinc/76/67/62/605766762.db2.gz 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O=C([O-])N1CCC(CN2CCN(CC(=O)Nc3ccccc3F)CC2)CC1 ZINC000834005201 606095288 /nfs/dbraw/zinc/09/52/88/606095288.db2.gz KNEKIYJDSBEUPA-UHFFFAOYSA-N -1 1 378.448 1.772 20 0 GDADMM COc1cccc(CNC(=O)[C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821867598 606139450 /nfs/dbraw/zinc/13/94/50/606139450.db2.gz FTYHYZCSFGXHBW-JTQLQIEISA-N -1 1 387.421 1.799 20 0 GDADMM COc1cccc(CNC(=O)[C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821867598 606139452 /nfs/dbraw/zinc/13/94/52/606139452.db2.gz FTYHYZCSFGXHBW-JTQLQIEISA-N -1 1 387.421 1.799 20 0 GDADMM CCO[C@@H](CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C1CCCC1 ZINC000821351240 606146518 /nfs/dbraw/zinc/14/65/18/606146518.db2.gz NQBDKVSAQFGXCM-HNNXBMFYSA-N -1 1 380.474 1.525 20 0 GDADMM CCO[C@@H](CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C1CCCC1 ZINC000821351240 606146519 /nfs/dbraw/zinc/14/65/19/606146519.db2.gz NQBDKVSAQFGXCM-HNNXBMFYSA-N -1 1 380.474 1.525 20 0 GDADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(-n2cncn2)cc1 ZINC000820380454 606156352 /nfs/dbraw/zinc/15/63/52/606156352.db2.gz UAMATAPVNMGRBX-JTQLQIEISA-N -1 1 379.388 1.064 20 0 GDADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(-n2cncn2)cc1 ZINC000820380454 606156353 /nfs/dbraw/zinc/15/63/53/606156353.db2.gz UAMATAPVNMGRBX-JTQLQIEISA-N -1 1 379.388 1.064 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H](c2nccn2C)c2ccccc2F)n1 ZINC000822609545 606157329 /nfs/dbraw/zinc/15/73/29/606157329.db2.gz PTDXNTDPAWAADM-CYBMUJFWSA-N -1 1 396.390 1.384 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H](c2nccn2C)c2ccccc2F)n1 ZINC000822609545 606157331 /nfs/dbraw/zinc/15/73/31/606157331.db2.gz PTDXNTDPAWAADM-CYBMUJFWSA-N -1 1 396.390 1.384 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccc(C(=O)OC(C)(C)C)cc2)n1 ZINC000822620237 606159319 /nfs/dbraw/zinc/15/93/19/606159319.db2.gz NNJOUOKGMRGMLE-UHFFFAOYSA-N -1 1 398.427 1.877 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccc(C(=O)OC(C)(C)C)cc2)n1 ZINC000822620237 606159321 /nfs/dbraw/zinc/15/93/21/606159321.db2.gz NNJOUOKGMRGMLE-UHFFFAOYSA-N -1 1 398.427 1.877 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccc(-c3cccnc3)cc2)n1 ZINC000822620513 606159612 /nfs/dbraw/zinc/15/96/12/606159612.db2.gz UQBTVQCXKBKJOQ-UHFFFAOYSA-N -1 1 375.396 1.984 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccc(-c3cccnc3)cc2)n1 ZINC000822620513 606159614 /nfs/dbraw/zinc/15/96/14/606159614.db2.gz UQBTVQCXKBKJOQ-UHFFFAOYSA-N -1 1 375.396 1.984 20 0 GDADMM C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820563991 606165328 /nfs/dbraw/zinc/16/53/28/606165328.db2.gz XBBHWFFIAULRNE-GFVXYOJSSA-N -1 1 388.457 1.563 20 0 GDADMM C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820563991 606165329 /nfs/dbraw/zinc/16/53/29/606165329.db2.gz XBBHWFFIAULRNE-GFVXYOJSSA-N -1 1 388.457 1.563 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H](c2nccn2C)c2ccc(F)cc2)n1 ZINC000822609083 606168594 /nfs/dbraw/zinc/16/85/94/606168594.db2.gz JFYRQLJDQPITMP-ZDUSSCGKSA-N -1 1 396.390 1.384 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H](c2nccn2C)c2ccc(F)cc2)n1 ZINC000822609083 606168596 /nfs/dbraw/zinc/16/85/96/606168596.db2.gz JFYRQLJDQPITMP-ZDUSSCGKSA-N -1 1 396.390 1.384 20 0 GDADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1cccc(-n2ccnc2)c1 ZINC000820379580 606169516 /nfs/dbraw/zinc/16/95/16/606169516.db2.gz DOHXDWDXKSLKHY-NSHDSACASA-N -1 1 378.400 1.669 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCc2coc(-c3ccc(F)cc3)n2)n1 ZINC000822619578 606173472 /nfs/dbraw/zinc/17/34/72/606173472.db2.gz AUNFUDHQQZKQHU-UHFFFAOYSA-N -1 1 397.374 1.759 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCc2coc(-c3ccc(F)cc3)n2)n1 ZINC000822619578 606173474 /nfs/dbraw/zinc/17/34/74/606173474.db2.gz AUNFUDHQQZKQHU-UHFFFAOYSA-N -1 1 397.374 1.759 20 0 GDADMM COC(=O)[C@@H]1CCC[C@H](C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000821655671 606185726 /nfs/dbraw/zinc/18/57/26/606185726.db2.gz PMLSISMMUBVVHC-WDEREUQCSA-N -1 1 375.433 1.736 20 0 GDADMM COC(=O)[C@@H]1CCC[C@H](C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000821655671 606185728 /nfs/dbraw/zinc/18/57/28/606185728.db2.gz PMLSISMMUBVVHC-WDEREUQCSA-N -1 1 375.433 1.736 20 0 GDADMM C[C@]1(C2CCN(c3cc(-c4nnn[n-]4)nc4ccccc43)CC2)NC(=O)NC1=O ZINC000820612784 606197954 /nfs/dbraw/zinc/19/79/54/606197954.db2.gz JFEGTOJABKJKQG-LJQANCHMSA-N -1 1 392.423 1.229 20 0 GDADMM C[C@]1(C2CCN(c3cc(-c4nn[n-]n4)nc4ccccc43)CC2)NC(=O)NC1=O ZINC000820612784 606197955 /nfs/dbraw/zinc/19/79/55/606197955.db2.gz JFEGTOJABKJKQG-LJQANCHMSA-N -1 1 392.423 1.229 20 0 GDADMM CC[C@@](C)(CCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C1OCCO1 ZINC000820852778 606201481 /nfs/dbraw/zinc/20/14/81/606201481.db2.gz GLUQHNASVJBDPP-INIZCTEOSA-N -1 1 396.473 1.109 20 0 GDADMM CC[C@@](C)(CCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C1OCCO1 ZINC000820852778 606201483 /nfs/dbraw/zinc/20/14/83/606201483.db2.gz GLUQHNASVJBDPP-INIZCTEOSA-N -1 1 396.473 1.109 20 0 GDADMM C[C@H](NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1nnc2ccccn21 ZINC000820445407 606254427 /nfs/dbraw/zinc/25/44/27/606254427.db2.gz PQTPABGHRYXJNN-VIFPVBQESA-N -1 1 388.388 1.088 20 0 GDADMM C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000820384405 606294843 /nfs/dbraw/zinc/29/48/43/606294843.db2.gz DHBKQDPAOPVWJY-SECBINFHSA-N -1 1 392.379 1.206 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCC(C)(C)N1CCOCC1 ZINC000822535090 606295551 /nfs/dbraw/zinc/29/55/51/606295551.db2.gz GIWOUOISUUGUHU-UHFFFAOYSA-N -1 1 399.455 1.399 20 0 GDADMM O=C(CCN1C(=O)CCc2ccccc21)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822964413 606295971 /nfs/dbraw/zinc/29/59/71/606295971.db2.gz IGNFLFKWZVSNFT-UHFFFAOYSA-N -1 1 378.392 1.880 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000822535478 606311459 /nfs/dbraw/zinc/31/14/59/606311459.db2.gz SRQNVVDIUQBJTH-UHFFFAOYSA-N -1 1 381.396 1.006 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000822535478 606311462 /nfs/dbraw/zinc/31/14/62/606311462.db2.gz SRQNVVDIUQBJTH-UHFFFAOYSA-N -1 1 381.396 1.006 20 0 GDADMM CCCCO[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1(C)C ZINC000821072943 606433476 /nfs/dbraw/zinc/43/34/76/606433476.db2.gz XBTVZZKIOUWRPS-GJZGRUSLSA-N -1 1 394.501 1.866 20 0 GDADMM CCCCO[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1(C)C ZINC000821072943 606433478 /nfs/dbraw/zinc/43/34/78/606433478.db2.gz XBTVZZKIOUWRPS-GJZGRUSLSA-N -1 1 394.501 1.866 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC(c2cccc(F)c2)CC1 ZINC000823600419 606435939 /nfs/dbraw/zinc/43/59/39/606435939.db2.gz HKUYTDQGUZAOKX-UHFFFAOYSA-N -1 1 388.428 1.969 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC(c2cccc(F)c2)CC1 ZINC000823600419 606435941 /nfs/dbraw/zinc/43/59/41/606435941.db2.gz HKUYTDQGUZAOKX-UHFFFAOYSA-N -1 1 388.428 1.969 20 0 GDADMM CCO[C@H]1C[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1(CC)CC ZINC000821357310 606484254 /nfs/dbraw/zinc/48/42/54/606484254.db2.gz BZEVCEWWEGOQLL-KBPBESRZSA-N -1 1 380.474 1.524 20 0 GDADMM CCO[C@H]1C[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1(CC)CC ZINC000821357310 606484255 /nfs/dbraw/zinc/48/42/55/606484255.db2.gz BZEVCEWWEGOQLL-KBPBESRZSA-N -1 1 380.474 1.524 20 0 GDADMM CCOC(=O)C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1C ZINC000821325762 606525237 /nfs/dbraw/zinc/52/52/37/606525237.db2.gz MGVRGNLYOOLAIU-INIZCTEOSA-N -1 1 380.408 1.994 20 0 GDADMM CCOC(=O)C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1C ZINC000821325762 606525239 /nfs/dbraw/zinc/52/52/39/606525239.db2.gz MGVRGNLYOOLAIU-INIZCTEOSA-N -1 1 380.408 1.994 20 0 GDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1cccc(I)c1 ZINC000823290025 606531615 /nfs/dbraw/zinc/53/16/15/606531615.db2.gz ROZYYYYXRJSZKA-UHFFFAOYSA-N -1 1 381.137 1.447 20 0 GDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1cccc(I)c1 ZINC000823290025 606531617 /nfs/dbraw/zinc/53/16/17/606531617.db2.gz ROZYYYYXRJSZKA-UHFFFAOYSA-N -1 1 381.137 1.447 20 0 GDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1ccc(I)cc1 ZINC000823290303 606531692 /nfs/dbraw/zinc/53/16/92/606531692.db2.gz VWINCAFTDKAVBV-UHFFFAOYSA-N -1 1 381.137 1.447 20 0 GDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ccc(I)cc1 ZINC000823290303 606531693 /nfs/dbraw/zinc/53/16/93/606531693.db2.gz VWINCAFTDKAVBV-UHFFFAOYSA-N -1 1 381.137 1.447 20 0 GDADMM O=C(CCOc1cccc(Br)c1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000822974368 606532716 /nfs/dbraw/zinc/53/27/16/606532716.db2.gz JCTKEAPZIHCHED-UHFFFAOYSA-N -1 1 378.190 1.760 20 0 GDADMM O=C(CCOc1cccc(Br)c1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000822974368 606532718 /nfs/dbraw/zinc/53/27/18/606532718.db2.gz JCTKEAPZIHCHED-UHFFFAOYSA-N -1 1 378.190 1.760 20 0 GDADMM CC(C)[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820017535 606561172 /nfs/dbraw/zinc/56/11/72/606561172.db2.gz ZEACKLWIURUKDL-ZJUUUORDSA-N -1 1 380.499 1.604 20 0 GDADMM CC(C)[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820017535 606561174 /nfs/dbraw/zinc/56/11/74/606561174.db2.gz ZEACKLWIURUKDL-ZJUUUORDSA-N -1 1 380.499 1.604 20 0 GDADMM O=C(NCC1CCN(C(=O)C(F)(F)F)CC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823176390 606575141 /nfs/dbraw/zinc/57/51/41/606575141.db2.gz SRAQYQXJQCNMNF-UHFFFAOYSA-N -1 1 388.375 1.459 20 0 GDADMM O=C(NCC1CCN(C(=O)C(F)(F)F)CC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823176390 606575143 /nfs/dbraw/zinc/57/51/43/606575143.db2.gz SRAQYQXJQCNMNF-UHFFFAOYSA-N -1 1 388.375 1.459 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)N2CCn3nc(C)nc3C2)c1-c1nn[n-]n1 ZINC000821990867 606578109 /nfs/dbraw/zinc/57/81/09/606578109.db2.gz XGJXXLQTXFMPCH-UHFFFAOYSA-N -1 1 397.468 1.417 20 0 GDADMM CN(CCOc1ccc(Cl)cc1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821603811 606597519 /nfs/dbraw/zinc/59/75/19/606597519.db2.gz PNBHXLVRYRGDSD-UHFFFAOYSA-N -1 1 376.808 1.796 20 0 GDADMM CN(CCOc1ccc(Cl)cc1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821603811 606597520 /nfs/dbraw/zinc/59/75/20/606597520.db2.gz PNBHXLVRYRGDSD-UHFFFAOYSA-N -1 1 376.808 1.796 20 0 GDADMM CO[C@H]1C[C@@H](NC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)C1(C)C ZINC000821678433 606604908 /nfs/dbraw/zinc/60/49/08/606604908.db2.gz NSKMYPTWMOZFPY-CABCVRRESA-N -1 1 398.471 1.389 20 0 GDADMM CO[C@H]1C[C@@H](NC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)C1(C)C ZINC000821678433 606604910 /nfs/dbraw/zinc/60/49/10/606604910.db2.gz NSKMYPTWMOZFPY-CABCVRRESA-N -1 1 398.471 1.389 20 0 GDADMM CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820027465 606646696 /nfs/dbraw/zinc/64/66/96/606646696.db2.gz SQIOPGQPFPGDFY-CYBMUJFWSA-N -1 1 376.417 1.854 20 0 GDADMM CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820027465 606646697 /nfs/dbraw/zinc/64/66/97/606646697.db2.gz SQIOPGQPFPGDFY-CYBMUJFWSA-N -1 1 376.417 1.854 20 0 GDADMM Cc1ccc(CN2C[C@@H](C(=O)OCc3ccnc(-c4nnn[n-]4)c3)CC2=O)cc1 ZINC000822237499 606647414 /nfs/dbraw/zinc/64/74/14/606647414.db2.gz XACZZMBJTCCAEV-INIZCTEOSA-N -1 1 392.419 1.662 20 0 GDADMM Cc1ccc(CN2C[C@@H](C(=O)OCc3ccnc(-c4nn[n-]n4)c3)CC2=O)cc1 ZINC000822237499 606647415 /nfs/dbraw/zinc/64/74/15/606647415.db2.gz XACZZMBJTCCAEV-INIZCTEOSA-N -1 1 392.419 1.662 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cc(N2CCNC2=O)ccc1F ZINC000823435804 606652529 /nfs/dbraw/zinc/65/25/29/606652529.db2.gz AJXYUAXXLHIQGQ-UHFFFAOYSA-N -1 1 383.343 1.287 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cc(N2CCNC2=O)ccc1F ZINC000823435804 606652530 /nfs/dbraw/zinc/65/25/30/606652530.db2.gz AJXYUAXXLHIQGQ-UHFFFAOYSA-N -1 1 383.343 1.287 20 0 GDADMM O=C(Cc1ccc(NC(=O)C2CC2)cc1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823082798 606653761 /nfs/dbraw/zinc/65/37/61/606653761.db2.gz QMBJTINNRJGMMA-UHFFFAOYSA-N -1 1 378.392 1.896 20 0 GDADMM O=C(Cc1ccc(NC(=O)C2CC2)cc1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823082798 606653762 /nfs/dbraw/zinc/65/37/62/606653762.db2.gz QMBJTINNRJGMMA-UHFFFAOYSA-N -1 1 378.392 1.896 20 0 GDADMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1cccc(I)c1 ZINC000823123101 606655306 /nfs/dbraw/zinc/65/53/06/606655306.db2.gz NUMDWUPHUSHJOS-UHFFFAOYSA-N -1 1 395.164 1.307 20 0 GDADMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1cccc(I)c1 ZINC000823123101 606655307 /nfs/dbraw/zinc/65/53/07/606655307.db2.gz NUMDWUPHUSHJOS-UHFFFAOYSA-N -1 1 395.164 1.307 20 0 GDADMM C[C@@]1(C(=O)N2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)CCCO1 ZINC000820577352 606666958 /nfs/dbraw/zinc/66/69/58/606666958.db2.gz OZPUYOMRLXGTJU-SFHVURJKSA-N -1 1 399.411 1.332 20 0 GDADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1noc(-c2ccccc2)n1 ZINC000820447554 606737380 /nfs/dbraw/zinc/73/73/80/606737380.db2.gz ZPHIFVKXRDMXFI-JTQLQIEISA-N -1 1 398.408 1.351 20 0 GDADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1cc(C2CCOCC2)n[nH]1 ZINC000822151526 606779294 /nfs/dbraw/zinc/77/92/94/606779294.db2.gz BVIXVIPVOVNULW-UHFFFAOYSA-N -1 1 389.441 1.593 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCc1cccc(F)c1 ZINC000820789090 606786668 /nfs/dbraw/zinc/78/66/68/606786668.db2.gz VJUDASIYAMPRTC-LBPRGKRZSA-N -1 1 397.418 1.216 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCc1cccc(F)c1 ZINC000820789090 606786670 /nfs/dbraw/zinc/78/66/70/606786670.db2.gz VJUDASIYAMPRTC-LBPRGKRZSA-N -1 1 397.418 1.216 20 0 GDADMM C[C@@H](NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)C1CCCCC1 ZINC000820351731 606793302 /nfs/dbraw/zinc/79/33/02/606793302.db2.gz QXFOZASACRMXEZ-UONOGXRCSA-N -1 1 399.503 1.846 20 0 GDADMM C[C@@H](NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)C1CCCCC1 ZINC000820351731 606793303 /nfs/dbraw/zinc/79/33/03/606793303.db2.gz QXFOZASACRMXEZ-UONOGXRCSA-N -1 1 399.503 1.846 20 0 GDADMM C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000820733867 606805476 /nfs/dbraw/zinc/80/54/76/606805476.db2.gz JPGCWMSBOSDBPL-FZMZJTMJSA-N -1 1 378.440 1.869 20 0 GDADMM C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000820733867 606805477 /nfs/dbraw/zinc/80/54/77/606805477.db2.gz JPGCWMSBOSDBPL-FZMZJTMJSA-N -1 1 378.440 1.869 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)Cn2cc(-c3ccccc3)nn2)n1 ZINC000819971236 606810133 /nfs/dbraw/zinc/81/01/33/606810133.db2.gz FWOMHTHCEKVZBA-UHFFFAOYSA-N -1 1 392.427 1.715 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)Cn2cc(-c3ccccc3)nn2)n1 ZINC000819971236 606810135 /nfs/dbraw/zinc/81/01/35/606810135.db2.gz FWOMHTHCEKVZBA-UHFFFAOYSA-N -1 1 392.427 1.715 20 0 GDADMM O=C(CCc1ccccc1)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000823151314 606814648 /nfs/dbraw/zinc/81/46/48/606814648.db2.gz ZOOOBRUGUBGYNA-MRXNPFEDSA-N -1 1 391.435 1.225 20 0 GDADMM O=C(CCc1ccccc1)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000823151314 606814650 /nfs/dbraw/zinc/81/46/50/606814650.db2.gz ZOOOBRUGUBGYNA-MRXNPFEDSA-N -1 1 391.435 1.225 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@@H]1CCc2ccccc21 ZINC000820775799 606823153 /nfs/dbraw/zinc/82/31/53/606823153.db2.gz JEMCKHWKXIQFFC-XJKSGUPXSA-N -1 1 390.451 1.424 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@@H]1CCc2ccccc21 ZINC000820775799 606823155 /nfs/dbraw/zinc/82/31/55/606823155.db2.gz JEMCKHWKXIQFFC-XJKSGUPXSA-N -1 1 390.451 1.424 20 0 GDADMM Cc1ccc(CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)s1 ZINC000822233797 606824508 /nfs/dbraw/zinc/82/45/08/606824508.db2.gz VGCHEBZMQJOCGD-LLVKDONJSA-N -1 1 384.469 1.306 20 0 GDADMM Cc1ccc(CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)s1 ZINC000822233797 606824510 /nfs/dbraw/zinc/82/45/10/606824510.db2.gz VGCHEBZMQJOCGD-LLVKDONJSA-N -1 1 384.469 1.306 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCC1(CO)CCCCC1 ZINC000822004440 606825203 /nfs/dbraw/zinc/82/52/03/606825203.db2.gz HEAQYQRVQNMEDF-UHFFFAOYSA-N -1 1 388.472 1.576 20 0 GDADMM COc1ccc2c(c1)CN(S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)CC2 ZINC000821849316 606842815 /nfs/dbraw/zinc/84/28/15/606842815.db2.gz DASWTPIJLYIDOY-UHFFFAOYSA-N -1 1 389.412 1.761 20 0 GDADMM CCCO[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000821128591 606843851 /nfs/dbraw/zinc/84/38/51/606843851.db2.gz XCOHQGZTUOIKEF-CYBMUJFWSA-N -1 1 383.449 1.976 20 0 GDADMM C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C[C@@H](C(F)(F)F)O1 ZINC000820769853 606845085 /nfs/dbraw/zinc/84/50/85/606845085.db2.gz XJOPFCNEJVXNKA-HQJQHLMTSA-N -1 1 395.338 1.346 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCO[C@@H](c2ccco2)C1 ZINC000823607357 606845696 /nfs/dbraw/zinc/84/56/96/606845696.db2.gz SMROMXMUBPNKAS-CYBMUJFWSA-N -1 1 379.373 1.361 20 0 GDADMM Cc1cccc(C(=O)n2ncc(-c3nn[n-]n3)c2N)c1I ZINC000822289155 606858870 /nfs/dbraw/zinc/85/88/70/606858870.db2.gz SOPRNCVXRVMSKJ-UHFFFAOYSA-N -1 1 395.164 1.247 20 0 GDADMM CCc1nnc(Oc2cccc(C(=O)NC[C@@H](C)O)c2)c(-c2nnn[n-]2)c1CC ZINC000821548344 606935962 /nfs/dbraw/zinc/93/59/62/606935962.db2.gz KUXKVQBMMZIPRK-LLVKDONJSA-N -1 1 397.439 1.684 20 0 GDADMM CCc1nnc(Oc2cccc(C(=O)NC[C@@H](C)O)c2)c(-c2nn[n-]n2)c1CC ZINC000821548344 606935963 /nfs/dbraw/zinc/93/59/63/606935963.db2.gz KUXKVQBMMZIPRK-LLVKDONJSA-N -1 1 397.439 1.684 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000823607899 607007370 /nfs/dbraw/zinc/00/73/70/607007370.db2.gz YJRSSEFPYSPTPM-MEDUHNTESA-N -1 1 381.433 1.322 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000823607899 607007371 /nfs/dbraw/zinc/00/73/71/607007371.db2.gz YJRSSEFPYSPTPM-MEDUHNTESA-N -1 1 381.433 1.322 20 0 GDADMM C[C@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C[C@H]1n1ccnc1 ZINC000820727242 607052410 /nfs/dbraw/zinc/05/24/10/607052410.db2.gz JMDMSVACKIXQIX-WCQYABFASA-N -1 1 391.432 1.474 20 0 GDADMM C[C@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C[C@H]1n1ccnc1 ZINC000820727242 607052411 /nfs/dbraw/zinc/05/24/11/607052411.db2.gz JMDMSVACKIXQIX-WCQYABFASA-N -1 1 391.432 1.474 20 0 GDADMM O=C(CCC(=O)N1CCOc2ccccc21)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822945530 607106637 /nfs/dbraw/zinc/10/66/37/607106637.db2.gz JCICISLRKCSISR-UHFFFAOYSA-N -1 1 385.409 1.468 20 0 GDADMM O=C(CCC(=O)N1CCOc2ccccc21)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822945530 607106639 /nfs/dbraw/zinc/10/66/39/607106639.db2.gz JCICISLRKCSISR-UHFFFAOYSA-N -1 1 385.409 1.468 20 0 GDADMM Cc1cc(NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cn(C)c1=O ZINC000822210438 607122717 /nfs/dbraw/zinc/12/27/17/607122717.db2.gz BHBAUGWWTXJHCX-UHFFFAOYSA-N -1 1 380.817 1.328 20 0 GDADMM Cc1cc(NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cn(C)c1=O ZINC000822210438 607122719 /nfs/dbraw/zinc/12/27/19/607122719.db2.gz BHBAUGWWTXJHCX-UHFFFAOYSA-N -1 1 380.817 1.328 20 0 GDADMM Cc1cc(C[C@@H](C)NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)[nH]n1 ZINC000822200049 607167330 /nfs/dbraw/zinc/16/73/30/607167330.db2.gz SCLBUUZBYCXLDX-SECBINFHSA-N -1 1 384.444 1.296 20 0 GDADMM Cc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c(OCC(F)(F)F)c1 ZINC000822248788 607210718 /nfs/dbraw/zinc/21/07/18/607210718.db2.gz NWILCBUFNSBYQY-UHFFFAOYSA-N -1 1 382.306 1.346 20 0 GDADMM COc1ccc(-c2csc(CNC(=O)Cn3cnc(-c4nn[n-]n4)n3)c2)cc1 ZINC000821733083 607221407 /nfs/dbraw/zinc/22/14/07/607221407.db2.gz ZVAARUHJVHKQCE-UHFFFAOYSA-N -1 1 396.436 1.512 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)NC[C@H]2COC(C)(C)O2)c1-c1nn[n-]n1 ZINC000821990284 607223826 /nfs/dbraw/zinc/22/38/26/607223826.db2.gz QQZLHGLDJWUITF-JTQLQIEISA-N -1 1 390.469 1.742 20 0 GDADMM CC(C)(C)OC(=O)N[C@H]1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000735633400 607235076 /nfs/dbraw/zinc/23/50/76/607235076.db2.gz PWRMKCJTNDKXCI-NSHDSACASA-N -1 1 382.428 1.913 20 0 GDADMM CC(C)(C)OC(=O)N[C@H]1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000735633400 607235077 /nfs/dbraw/zinc/23/50/77/607235077.db2.gz PWRMKCJTNDKXCI-NSHDSACASA-N -1 1 382.428 1.913 20 0 GDADMM CCC(CC)(CO)CNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000825090362 607808803 /nfs/dbraw/zinc/80/88/03/607808803.db2.gz XNAJCZUXUJDWAT-UHFFFAOYSA-N -1 1 376.461 1.432 20 0 GDADMM C[C@H]1COCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C1 ZINC000825006619 607819268 /nfs/dbraw/zinc/81/92/68/607819268.db2.gz MMOXXLIUQJCBJE-SECBINFHSA-N -1 1 391.375 1.543 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H](CO)Cc1ccccc1 ZINC000826232938 607832103 /nfs/dbraw/zinc/83/21/03/607832103.db2.gz NTTWGEPTGALVEK-OAHLLOKOSA-N -1 1 396.451 1.237 20 0 GDADMM C[C@H]1OCC[C@@H]1SCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000825020813 607845264 /nfs/dbraw/zinc/84/52/64/607845264.db2.gz MGXLKZSVOQTHPJ-RISCZKNCSA-N -1 1 385.453 1.902 20 0 GDADMM C[C@H]1OCC[C@@H]1SCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000825020813 607845265 /nfs/dbraw/zinc/84/52/65/607845265.db2.gz MGXLKZSVOQTHPJ-RISCZKNCSA-N -1 1 385.453 1.902 20 0 GDADMM O=S(=O)(Cc1ccccc1CNc1cccc(-c2nnn[n-]2)n1)N1CCCC1 ZINC000826486466 607850804 /nfs/dbraw/zinc/85/08/04/607850804.db2.gz DBXLTQBQKHEIBH-UHFFFAOYSA-N -1 1 399.480 1.799 20 0 GDADMM O=S(=O)(Cc1ccccc1CNc1cccc(-c2nn[n-]n2)n1)N1CCCC1 ZINC000826486466 607850805 /nfs/dbraw/zinc/85/08/05/607850805.db2.gz DBXLTQBQKHEIBH-UHFFFAOYSA-N -1 1 399.480 1.799 20 0 GDADMM O=S(=O)(N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826488559 607853317 /nfs/dbraw/zinc/85/33/17/607853317.db2.gz SUGUVQBFJLJKNE-KCPJHIHWSA-N -1 1 393.444 1.632 20 0 GDADMM Cc1cccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1Cl ZINC000826296175 607854957 /nfs/dbraw/zinc/85/49/57/607854957.db2.gz LSODQXWRTBJUIW-GFCCVEGCSA-N -1 1 398.858 1.969 20 0 GDADMM Cc1cccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1Cl ZINC000826296175 607854958 /nfs/dbraw/zinc/85/49/58/607854958.db2.gz LSODQXWRTBJUIW-GFCCVEGCSA-N -1 1 398.858 1.969 20 0 GDADMM CC[C@]1(c2ccc(OC(=O)c3ccc(-c4nnn[n-]4)s3)cc2)NC(=O)NC1=O ZINC000825176402 607876984 /nfs/dbraw/zinc/87/69/84/607876984.db2.gz RYTVSQQHAOAZRD-QGZVFWFLSA-N -1 1 398.404 1.592 20 0 GDADMM CC[C@]1(c2ccc(OC(=O)c3ccc(-c4nn[n-]n4)s3)cc2)NC(=O)NC1=O ZINC000825176402 607876985 /nfs/dbraw/zinc/87/69/85/607876985.db2.gz RYTVSQQHAOAZRD-QGZVFWFLSA-N -1 1 398.404 1.592 20 0 GDADMM CCN(CC(=O)Nc1ccc2c(c1)OCCO2)c1cccc(-c2nnn[n-]2)n1 ZINC000825394637 607894491 /nfs/dbraw/zinc/89/44/91/607894491.db2.gz GDWCFLGLBBAUOQ-UHFFFAOYSA-N -1 1 381.396 1.498 20 0 GDADMM CCN(CC(=O)Nc1ccc2c(c1)OCCO2)c1cccc(-c2nn[n-]n2)n1 ZINC000825394637 607894492 /nfs/dbraw/zinc/89/44/92/607894492.db2.gz GDWCFLGLBBAUOQ-UHFFFAOYSA-N -1 1 381.396 1.498 20 0 GDADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc([S@](C)=O)cc1 ZINC000824640411 607906026 /nfs/dbraw/zinc/90/60/26/607906026.db2.gz HWURKJWSGYXFTI-JUTIIYIPSA-N -1 1 392.466 1.039 20 0 GDADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc([S@](C)=O)cc1 ZINC000824640411 607906027 /nfs/dbraw/zinc/90/60/27/607906027.db2.gz HWURKJWSGYXFTI-JUTIIYIPSA-N -1 1 392.466 1.039 20 0 GDADMM O=C(CN1CCN(Cc2ccnc(-c3nn[n-]n3)c2)CC1)Nc1ccccc1F ZINC000826411446 607926892 /nfs/dbraw/zinc/92/68/92/607926892.db2.gz YQEDBVYQGIPKRB-UHFFFAOYSA-N -1 1 396.430 1.157 20 0 GDADMM Cc1cc(I)cn(Cc2ccnc(-c3nnn[n-]3)c2)c1=O ZINC000826268846 607933039 /nfs/dbraw/zinc/93/30/39/607933039.db2.gz PSVBASWABOWLHI-UHFFFAOYSA-N -1 1 394.176 1.385 20 0 GDADMM Cc1cc(I)cn(Cc2ccnc(-c3nn[n-]n3)c2)c1=O ZINC000826268846 607933040 /nfs/dbraw/zinc/93/30/40/607933040.db2.gz PSVBASWABOWLHI-UHFFFAOYSA-N -1 1 394.176 1.385 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cc(F)ccc1N1CCOCC1 ZINC000826451021 607998193 /nfs/dbraw/zinc/99/81/93/607998193.db2.gz MKUQPIWLWIPARJ-UHFFFAOYSA-N -1 1 384.371 1.800 20 0 GDADMM Cc1oc(NC(=O)COC(=O)[C@@H]2CCC(=O)C[C@H]2C)c(-c2nn[n-]n2)c1C ZINC000826342708 608030101 /nfs/dbraw/zinc/03/01/01/608030101.db2.gz WVCSNDPAMFNWNQ-PRHODGIISA-N -1 1 375.385 1.564 20 0 GDADMM C[C@H](CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1nc(-c2ccccc2)no1 ZINC000824419680 608031725 /nfs/dbraw/zinc/03/17/25/608031725.db2.gz BLZDDKCOVSZKMI-SNVBAGLBSA-N -1 1 394.399 1.575 20 0 GDADMM C[C@H](CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1nc(-c2ccccc2)no1 ZINC000824419680 608031726 /nfs/dbraw/zinc/03/17/26/608031726.db2.gz BLZDDKCOVSZKMI-SNVBAGLBSA-N -1 1 394.399 1.575 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@H](O)c2ccc(Cl)c(F)c2)n1 ZINC000826357176 608106624 /nfs/dbraw/zinc/10/66/24/608106624.db2.gz UPSIXMXJDNRONI-NSHDSACASA-N -1 1 380.771 1.248 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@H](O)c2ccc(Cl)c(F)c2)n1 ZINC000826357176 608106625 /nfs/dbraw/zinc/10/66/25/608106625.db2.gz UPSIXMXJDNRONI-NSHDSACASA-N -1 1 380.771 1.248 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000826341172 608106904 /nfs/dbraw/zinc/10/69/04/608106904.db2.gz YWYRYVDSBNWEQN-YOEHRIQHSA-N -1 1 390.403 1.947 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000826341172 608106905 /nfs/dbraw/zinc/10/69/05/608106905.db2.gz YWYRYVDSBNWEQN-YOEHRIQHSA-N -1 1 390.403 1.947 20 0 GDADMM CCc1nnc([C@H](C)NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)[nH]1 ZINC000825739775 608108296 /nfs/dbraw/zinc/10/82/96/608108296.db2.gz JJUBNFITTWWSRE-JTQLQIEISA-N -1 1 385.432 1.075 20 0 GDADMM C[C@@H](CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1cccc(F)c1 ZINC000824385583 608211102 /nfs/dbraw/zinc/21/11/02/608211102.db2.gz XBEKZBSDOMBSJP-NSHDSACASA-N -1 1 386.435 1.896 20 0 GDADMM C[C@@H](CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1cccc(F)c1 ZINC000824385583 608211103 /nfs/dbraw/zinc/21/11/03/608211103.db2.gz XBEKZBSDOMBSJP-NSHDSACASA-N -1 1 386.435 1.896 20 0 GDADMM O=C(Nc1ccon1)C1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000826458827 608212576 /nfs/dbraw/zinc/21/25/76/608212576.db2.gz HRZDUQGCTURIHP-UHFFFAOYSA-N -1 1 396.367 1.958 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cc(F)c(F)c(F)c1 ZINC000825933286 608212798 /nfs/dbraw/zinc/21/27/98/608212798.db2.gz AOYLDXCNKKXVHP-UHFFFAOYSA-N -1 1 380.334 1.294 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cc(F)c(F)c(F)c1 ZINC000825933286 608212800 /nfs/dbraw/zinc/21/28/00/608212800.db2.gz AOYLDXCNKKXVHP-UHFFFAOYSA-N -1 1 380.334 1.294 20 0 GDADMM CCC(=O)CNC(=O)C1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000825027987 608213973 /nfs/dbraw/zinc/21/39/73/608213973.db2.gz BJDUXXCAPQVGHU-UHFFFAOYSA-N -1 1 399.411 1.426 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@@H]1[C@H]1CCCC1=O ZINC000826232671 608214625 /nfs/dbraw/zinc/21/46/25/608214625.db2.gz CMBLTIUKTYVJJP-HUUCEWRRSA-N -1 1 398.467 1.877 20 0 GDADMM Cc1cnc(COC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)s1 ZINC000826318280 608253985 /nfs/dbraw/zinc/25/39/85/608253985.db2.gz BRHFCKWZLZOPAZ-UHFFFAOYSA-N -1 1 398.452 1.967 20 0 GDADMM Cc1cnc(COC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)s1 ZINC000826318280 608253987 /nfs/dbraw/zinc/25/39/87/608253987.db2.gz BRHFCKWZLZOPAZ-UHFFFAOYSA-N -1 1 398.452 1.967 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCO[C@H](C(C)C)C2)cc1-c1nn[n-]n1 ZINC000826229960 608280342 /nfs/dbraw/zinc/28/03/42/608280342.db2.gz XXGHIFOKDZMMPZ-SKDRFNHKSA-N -1 1 378.458 1.623 20 0 GDADMM CC(C)(C)OC(=O)N1CCC2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC000824104592 608295776 /nfs/dbraw/zinc/29/57/76/608295776.db2.gz VEEKCVDDALBJFK-UHFFFAOYSA-N -1 1 386.460 1.884 20 0 GDADMM CC(C)(C)OC(=O)N1CCC2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC000824104592 608295777 /nfs/dbraw/zinc/29/57/77/608295777.db2.gz VEEKCVDDALBJFK-UHFFFAOYSA-N -1 1 386.460 1.884 20 0 GDADMM CCCCC[C@@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825268799 608338280 /nfs/dbraw/zinc/33/82/80/608338280.db2.gz YRAOZWHPWPMRFC-LLVKDONJSA-N -1 1 376.465 1.842 20 0 GDADMM CCCCC[C@@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825268799 608338281 /nfs/dbraw/zinc/33/82/81/608338281.db2.gz YRAOZWHPWPMRFC-LLVKDONJSA-N -1 1 376.465 1.842 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCCc2ccccc2)n1 ZINC000824148178 608338382 /nfs/dbraw/zinc/33/83/82/608338382.db2.gz OFAZZNGZNLAGBW-UHFFFAOYSA-N -1 1 382.428 1.116 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCCc2ccccc2)n1 ZINC000824148178 608338384 /nfs/dbraw/zinc/33/83/84/608338384.db2.gz OFAZZNGZNLAGBW-UHFFFAOYSA-N -1 1 382.428 1.116 20 0 GDADMM O=S(=O)(N[C@@H](CO)Cc1ccc(F)cc1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826487564 608344920 /nfs/dbraw/zinc/34/49/20/608344920.db2.gz RWRMQXFXDUXWKY-GFCCVEGCSA-N -1 1 395.391 1.027 20 0 GDADMM O=S(=O)(N[C@@H](CO)Cc1ccc(F)cc1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826487564 608344922 /nfs/dbraw/zinc/34/49/22/608344922.db2.gz RWRMQXFXDUXWKY-GFCCVEGCSA-N -1 1 395.391 1.027 20 0 GDADMM Cc1occc1CN(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826342307 608350280 /nfs/dbraw/zinc/35/02/80/608350280.db2.gz FPGCRPTULPZECU-UHFFFAOYSA-N -1 1 386.416 1.317 20 0 GDADMM Cc1occc1CN(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826342307 608350281 /nfs/dbraw/zinc/35/02/81/608350281.db2.gz FPGCRPTULPZECU-UHFFFAOYSA-N -1 1 386.416 1.317 20 0 GDADMM CC(C)n1cc(NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)cn1 ZINC000824371881 608354354 /nfs/dbraw/zinc/35/43/54/608354354.db2.gz XDSNZDCCRRYOBW-UHFFFAOYSA-N -1 1 386.420 1.173 20 0 GDADMM CC(C)n1cc(NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)cn1 ZINC000824371881 608354357 /nfs/dbraw/zinc/35/43/57/608354357.db2.gz XDSNZDCCRRYOBW-UHFFFAOYSA-N -1 1 386.420 1.173 20 0 GDADMM C1CC1c1nc(-c2nn[n-]n2)c(N2CCN(c3nnc(C4CC4)s3)CC2)o1 ZINC000823873220 608365249 /nfs/dbraw/zinc/36/52/49/608365249.db2.gz KBGCJRQLLGSEMK-UHFFFAOYSA-N -1 1 385.457 1.788 20 0 GDADMM O=C(NC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)Nc1cccc(F)c1 ZINC000826435502 608412620 /nfs/dbraw/zinc/41/26/20/608412620.db2.gz PVXYEJZOCWOWOQ-GFCCVEGCSA-N -1 1 397.418 1.834 20 0 GDADMM O=C(NC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)Nc1cccc(F)c1 ZINC000826435502 608412621 /nfs/dbraw/zinc/41/26/21/608412621.db2.gz PVXYEJZOCWOWOQ-GFCCVEGCSA-N -1 1 397.418 1.834 20 0 GDADMM C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000825012042 608419464 /nfs/dbraw/zinc/41/94/64/608419464.db2.gz CSKXBOFXDPVJQO-PWSUYJOCSA-N -1 1 390.448 1.829 20 0 GDADMM C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000825012042 608419465 /nfs/dbraw/zinc/41/94/65/608419465.db2.gz CSKXBOFXDPVJQO-PWSUYJOCSA-N -1 1 390.448 1.829 20 0 GDADMM O[C@H](CNc1ccc(-c2nnn[n-]2)nn1)c1cc(Cl)c2c(c1)OCCO2 ZINC000826502596 608422385 /nfs/dbraw/zinc/42/23/85/608422385.db2.gz GULKUIAXHKZQJJ-LLVKDONJSA-N -1 1 375.776 1.227 20 0 GDADMM O[C@H](CNc1ccc(-c2nn[n-]n2)nn1)c1cc(Cl)c2c(c1)OCCO2 ZINC000826502596 608422386 /nfs/dbraw/zinc/42/23/86/608422386.db2.gz GULKUIAXHKZQJJ-LLVKDONJSA-N -1 1 375.776 1.227 20 0 GDADMM CC[C@@H](CSC)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000825128678 608423270 /nfs/dbraw/zinc/42/32/70/608423270.db2.gz XWLWTPRBJPRDHL-NEPJUHHUSA-N -1 1 391.505 1.018 20 0 GDADMM CC[C@@H](CSC)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000825128678 608423271 /nfs/dbraw/zinc/42/32/71/608423271.db2.gz XWLWTPRBJPRDHL-NEPJUHHUSA-N -1 1 391.505 1.018 20 0 GDADMM O=C1COc2cccc(OS(=O)(=O)c3ccc(F)c(-c4nn[n-]n4)c3)c2N1 ZINC000826481794 608425448 /nfs/dbraw/zinc/42/54/48/608425448.db2.gz IZRJHGAYCHXBQG-UHFFFAOYSA-N -1 1 391.340 1.104 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cc2ccccc2o1 ZINC000826430997 608430901 /nfs/dbraw/zinc/43/09/01/608430901.db2.gz PHFIEDXDHHYECF-ZDUSSCGKSA-N -1 1 390.407 1.802 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cc2ccccc2o1 ZINC000826430997 608430903 /nfs/dbraw/zinc/43/09/03/608430903.db2.gz PHFIEDXDHHYECF-ZDUSSCGKSA-N -1 1 390.407 1.802 20 0 GDADMM COCCOc1ccccc1N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826163562 608434243 /nfs/dbraw/zinc/43/42/43/608434243.db2.gz ZUVNOQRXJHPBAB-UHFFFAOYSA-N -1 1 382.428 1.009 20 0 GDADMM COCCOc1ccccc1N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826163562 608434244 /nfs/dbraw/zinc/43/42/44/608434244.db2.gz ZUVNOQRXJHPBAB-UHFFFAOYSA-N -1 1 382.428 1.009 20 0 GDADMM COc1ccc(OC)c(CN2CCN(Cc3ccc(-c4nnn[n-]4)o3)CC2)c1 ZINC000826211302 608501311 /nfs/dbraw/zinc/50/13/11/608501311.db2.gz XBWVBMAZJGLCSO-UHFFFAOYSA-N -1 1 384.440 1.795 20 0 GDADMM CCOc1ccccc1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825654307 608548695 /nfs/dbraw/zinc/54/86/95/608548695.db2.gz WKQMMWIBVUJRJJ-UHFFFAOYSA-N -1 1 385.432 1.667 20 0 GDADMM CCOc1ccccc1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825654307 608548697 /nfs/dbraw/zinc/54/86/97/608548697.db2.gz WKQMMWIBVUJRJJ-UHFFFAOYSA-N -1 1 385.432 1.667 20 0 GDADMM COCc1cccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000826164651 608549553 /nfs/dbraw/zinc/54/95/53/608549553.db2.gz KAAKPVMFMYRITB-UHFFFAOYSA-N -1 1 385.432 1.415 20 0 GDADMM COCc1cccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000826164651 608549555 /nfs/dbraw/zinc/54/95/55/608549555.db2.gz KAAKPVMFMYRITB-UHFFFAOYSA-N -1 1 385.432 1.415 20 0 GDADMM Cc1cccc2cc(C(=O)N(C)CCCc3[nH]nc(N)c3-c3nnn[n-]3)oc21 ZINC000826305167 608555589 /nfs/dbraw/zinc/55/55/89/608555589.db2.gz NDUXQSHSJOTVOD-UHFFFAOYSA-N -1 1 380.412 1.931 20 0 GDADMM Cc1cccc2cc(C(=O)N(C)CCCc3[nH]nc(N)c3-c3nn[n-]n3)oc21 ZINC000826305167 608555591 /nfs/dbraw/zinc/55/55/91/608555591.db2.gz NDUXQSHSJOTVOD-UHFFFAOYSA-N -1 1 380.412 1.931 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CCOc1ccc(F)cc1 ZINC000825923158 608556000 /nfs/dbraw/zinc/55/60/00/608556000.db2.gz DCYFCTAXHPWJCT-UHFFFAOYSA-N -1 1 388.407 1.171 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CCOc1ccc(F)cc1 ZINC000825923158 608556002 /nfs/dbraw/zinc/55/60/02/608556002.db2.gz DCYFCTAXHPWJCT-UHFFFAOYSA-N -1 1 388.407 1.171 20 0 GDADMM CCC(CC)n1nccc1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825115330 608556125 /nfs/dbraw/zinc/55/61/25/608556125.db2.gz WPJMWXALKWCFSR-UHFFFAOYSA-N -1 1 386.464 1.434 20 0 GDADMM CCC(CC)n1nccc1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825115330 608556126 /nfs/dbraw/zinc/55/61/26/608556126.db2.gz WPJMWXALKWCFSR-UHFFFAOYSA-N -1 1 386.464 1.434 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccc(F)c(Cl)c1 ZINC000825933270 608557010 /nfs/dbraw/zinc/55/70/10/608557010.db2.gz ACPDAPKNDSANIN-UHFFFAOYSA-N -1 1 378.799 1.669 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccc(F)c(Cl)c1 ZINC000825933270 608557011 /nfs/dbraw/zinc/55/70/11/608557011.db2.gz ACPDAPKNDSANIN-UHFFFAOYSA-N -1 1 378.799 1.669 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@H]1CCCc2sccc21 ZINC000825923681 608559120 /nfs/dbraw/zinc/55/91/20/608559120.db2.gz REOBTMQNIVDZAM-NSHDSACASA-N -1 1 386.485 1.745 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@H]1CCCc2sccc21 ZINC000825923681 608559121 /nfs/dbraw/zinc/55/91/21/608559121.db2.gz REOBTMQNIVDZAM-NSHDSACASA-N -1 1 386.485 1.745 20 0 GDADMM Cc1cccc2c(CC(=O)N(C)CCCc3[nH]nc(N)c3-c3nnn[n-]3)c[nH]c21 ZINC000826304782 608559773 /nfs/dbraw/zinc/55/97/73/608559773.db2.gz XWEKUKTWBONHSV-UHFFFAOYSA-N -1 1 393.455 1.595 20 0 GDADMM Cc1cccc2c(CC(=O)N(C)CCCc3[nH]nc(N)c3-c3nn[n-]n3)c[nH]c21 ZINC000826304782 608559775 /nfs/dbraw/zinc/55/97/75/608559775.db2.gz XWEKUKTWBONHSV-UHFFFAOYSA-N -1 1 393.455 1.595 20 0 GDADMM Cc1ccc(OCC(=O)N2CCN(Cc3ccc(-c4nnn[n-]4)o3)CC2)cc1 ZINC000826291976 608659908 /nfs/dbraw/zinc/65/99/08/608659908.db2.gz CVYSZOBRXKVZCG-UHFFFAOYSA-N -1 1 382.424 1.491 20 0 GDADMM Cc1ccc(OCC(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)o3)CC2)cc1 ZINC000826291976 608659909 /nfs/dbraw/zinc/65/99/09/608659909.db2.gz CVYSZOBRXKVZCG-UHFFFAOYSA-N -1 1 382.424 1.491 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1nnc2n1CCCC2 ZINC000826233046 609176068 /nfs/dbraw/zinc/17/60/68/609176068.db2.gz RRAIIJBRPZIUHN-UHFFFAOYSA-N -1 1 383.416 1.083 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H](c1c(F)cccc1F)C(F)(F)F ZINC000826425306 609267320 /nfs/dbraw/zinc/26/73/20/609267320.db2.gz XOOYZNXBWDYPQY-SNVBAGLBSA-N -1 1 388.260 1.156 20 0 GDADMM C[C@@H](CCc1ccco1)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824413612 609298562 /nfs/dbraw/zinc/29/85/62/609298562.db2.gz NPUFDJYVYKNULG-NSHDSACASA-N -1 1 387.448 1.360 20 0 GDADMM C[C@@H](CCc1ccco1)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824413612 609298564 /nfs/dbraw/zinc/29/85/64/609298564.db2.gz NPUFDJYVYKNULG-NSHDSACASA-N -1 1 387.448 1.360 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCC(C)(C)c1ccccc1 ZINC000825929517 609299248 /nfs/dbraw/zinc/29/92/48/609299248.db2.gz HDZOEZLXLZPXOV-UHFFFAOYSA-N -1 1 397.487 1.724 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCC(C)(C)c1ccccc1 ZINC000825929517 609299249 /nfs/dbraw/zinc/29/92/49/609299249.db2.gz HDZOEZLXLZPXOV-UHFFFAOYSA-N -1 1 397.487 1.724 20 0 GDADMM C[C@@H]1CC[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)[C@@H](C)C1 ZINC000824915973 609302386 /nfs/dbraw/zinc/30/23/86/609302386.db2.gz JBNFJTYXUPGNJQ-GRYCIOLGSA-N -1 1 375.481 1.571 20 0 GDADMM C[C@@H]1CC[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)[C@@H](C)C1 ZINC000824915973 609302388 /nfs/dbraw/zinc/30/23/88/609302388.db2.gz JBNFJTYXUPGNJQ-GRYCIOLGSA-N -1 1 375.481 1.571 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@H]1CCc2ccccc2C1 ZINC000825929160 609302733 /nfs/dbraw/zinc/30/27/33/609302733.db2.gz BZFGKHOOBLAFHH-AWEZNQCLSA-N -1 1 395.471 1.304 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@H]1CCc2ccccc2C1 ZINC000825929160 609302736 /nfs/dbraw/zinc/30/27/36/609302736.db2.gz BZFGKHOOBLAFHH-AWEZNQCLSA-N -1 1 395.471 1.304 20 0 GDADMM CC[C@@H]1CCC[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1 ZINC000825194434 609304246 /nfs/dbraw/zinc/30/42/46/609304246.db2.gz QQUSJRQACXIIMW-VXGBXAGGSA-N -1 1 375.481 1.715 20 0 GDADMM CC[C@@H]1CCC[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C1 ZINC000825194434 609304249 /nfs/dbraw/zinc/30/42/49/609304249.db2.gz QQUSJRQACXIIMW-VXGBXAGGSA-N -1 1 375.481 1.715 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@H]1CCCC(F)(F)C1 ZINC000825929166 609310017 /nfs/dbraw/zinc/31/00/17/609310017.db2.gz CBCVGANQUKPGBT-VIFPVBQESA-N -1 1 383.407 1.324 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@H]1CCCC(F)(F)C1 ZINC000825929166 609310020 /nfs/dbraw/zinc/31/00/20/609310020.db2.gz CBCVGANQUKPGBT-VIFPVBQESA-N -1 1 383.407 1.324 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@H](F)Cc1ccccc1 ZINC000825001295 609329061 /nfs/dbraw/zinc/32/90/61/609329061.db2.gz YSEHRBJORQARCG-UKRRQHHQSA-N -1 1 396.430 1.275 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@H](F)Cc1ccccc1 ZINC000825001295 609329063 /nfs/dbraw/zinc/32/90/63/609329063.db2.gz YSEHRBJORQARCG-UKRRQHHQSA-N -1 1 396.430 1.275 20 0 GDADMM O=C(NC[C@@H](O)c1ccco1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826433497 609363932 /nfs/dbraw/zinc/36/39/32/609363932.db2.gz IFBOGGOEZLKSEB-GFCCVEGCSA-N -1 1 398.358 1.640 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C(=O)N[C@@H]1CC=CCC1 ZINC000826458373 609366768 /nfs/dbraw/zinc/36/67/68/609366768.db2.gz NHLFVVYKQLQPSF-LLVKDONJSA-N -1 1 396.386 1.355 20 0 GDADMM COCCC[C@@H](C)C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000826155000 609375102 /nfs/dbraw/zinc/37/51/02/609375102.db2.gz CGUTWCKRTYNYEG-GFCCVEGCSA-N -1 1 389.460 1.443 20 0 GDADMM Cc1oc(NC(=O)COC(=O)c2ccc3nsnc3c2)c(-c2nn[n-]n2)c1C ZINC000826342754 609385470 /nfs/dbraw/zinc/38/54/70/609385470.db2.gz YKBBQGIWOUGLKZ-UHFFFAOYSA-N -1 1 399.392 1.877 20 0 GDADMM O=S(=O)(NC1CCCC1)[C@@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC000826488141 609386941 /nfs/dbraw/zinc/38/69/41/609386941.db2.gz IYRLJPMUYFEBLW-CYBMUJFWSA-N -1 1 377.474 1.093 20 0 GDADMM O=S(=O)(NC1CCCC1)[C@@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC000826488141 609386944 /nfs/dbraw/zinc/38/69/44/609386944.db2.gz IYRLJPMUYFEBLW-CYBMUJFWSA-N -1 1 377.474 1.093 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H](CO)c1ccccc1 ZINC000826232896 609397109 /nfs/dbraw/zinc/39/71/09/609397109.db2.gz MIUHKCPUIXSFNZ-OAHLLOKOSA-N -1 1 382.424 1.367 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(C)C[C@H]1CCCC[C@H]1O ZINC000826232665 609403502 /nfs/dbraw/zinc/40/35/02/609403502.db2.gz CGZUPXVERRCGIA-UKRRQHHQSA-N -1 1 388.472 1.526 20 0 GDADMM O=S(=O)(NC1CCCC1)[C@H]1CCCN(Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC000826488790 609410652 /nfs/dbraw/zinc/41/06/52/609410652.db2.gz ZIAJPKYVBZMSSZ-AWEZNQCLSA-N -1 1 380.474 1.286 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)Nc2cccc(CCCO)c2)cc1-c1nn[n-]n1 ZINC000826229762 609428266 /nfs/dbraw/zinc/42/82/66/609428266.db2.gz QKKFKOFWKGOBAB-UHFFFAOYSA-N -1 1 386.437 1.866 20 0 GDADMM Cc1onc(CC(=O)NC[C@@H](C)c2nc(-c3ccccc3)no2)c1-c1nnn[n-]1 ZINC000826346935 609467656 /nfs/dbraw/zinc/46/76/56/609467656.db2.gz ZCKAFHCYCGIANN-SNVBAGLBSA-N -1 1 394.395 1.676 20 0 GDADMM Cc1onc(CC(=O)NC[C@@H](C)c2nc(-c3ccccc3)no2)c1-c1nn[n-]n1 ZINC000826346935 609467658 /nfs/dbraw/zinc/46/76/58/609467658.db2.gz ZCKAFHCYCGIANN-SNVBAGLBSA-N -1 1 394.395 1.676 20 0 GDADMM Cc1onc(CC(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1-c1nnn[n-]1 ZINC000826346100 609469125 /nfs/dbraw/zinc/46/91/25/609469125.db2.gz CITUHMUDBBYEDS-NSHDSACASA-N -1 1 391.432 1.221 20 0 GDADMM Cc1onc(CC(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1-c1nn[n-]n1 ZINC000826346100 609469128 /nfs/dbraw/zinc/46/91/28/609469128.db2.gz CITUHMUDBBYEDS-NSHDSACASA-N -1 1 391.432 1.221 20 0 GDADMM CC(=O)[N-]S(=O)(=O)c1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000916108180 660185523 /nfs/dbraw/zinc/18/55/23/660185523.db2.gz PZHNBSNXWUXHMR-UHFFFAOYSA-N -1 1 390.389 1.590 20 0 GDADMM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-c3nnco3)c2)c1 ZINC000534942761 650236162 /nfs/dbraw/zinc/23/61/62/650236162.db2.gz KBMDLWBUVRYOEJ-UHFFFAOYSA-N -1 1 379.419 1.941 20 0 GDADMM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccon1)c1ccc(OC(F)F)cc1 ZINC000538120741 650306048 /nfs/dbraw/zinc/30/60/48/650306048.db2.gz KYCBKKREFOPZIQ-LBPRGKRZSA-N -1 1 376.337 1.610 20 0 GDADMM Cc1nc(CN2CCN(C(=O)c3cccc(Br)c3[O-])CC2)n[nH]1 ZINC000538745785 650320032 /nfs/dbraw/zinc/32/00/32/650320032.db2.gz ZREMNGNHVLYPQS-UHFFFAOYSA-N -1 1 380.246 1.539 20 0 GDADMM CCn1cc(S(=O)(=O)[N-]c2ccc(F)cc2NS(C)(=O)=O)nc1C ZINC000539115517 650328179 /nfs/dbraw/zinc/32/81/79/650328179.db2.gz PEYYDCBLBVSWTN-UHFFFAOYSA-N -1 1 376.435 1.523 20 0 GDADMM CCOC(=O)[C@@H](C)[C@H](C)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000541393279 650383838 /nfs/dbraw/zinc/38/38/38/650383838.db2.gz NRCYKIVXZSXMTP-UWVGGRQHSA-N -1 1 396.462 1.063 20 0 GDADMM C[C@@H]1C[C@H](C)CN(S(=O)(=O)[N-]c2cn(C)cc(Br)c2=O)C1 ZINC000542740622 650411498 /nfs/dbraw/zinc/41/14/98/650411498.db2.gz SQFTZDJTMQZPSP-AOOOYVTPSA-N -1 1 378.292 1.782 20 0 GDADMM C[N-]S(=O)(=O)c1cc(-c2nc(Cn3cc(Br)cn3)no2)co1 ZINC000545041199 650449267 /nfs/dbraw/zinc/44/92/67/650449267.db2.gz RXRZZLIJDDMKEL-UHFFFAOYSA-N -1 1 388.203 1.245 20 0 GDADMM CC(C)N1C[C@@H](NC(=O)c2ccc(I)c([O-])c2)CC1=O ZINC000545486144 650458355 /nfs/dbraw/zinc/45/83/55/650458355.db2.gz HFJHJKDFAACQAD-JTQLQIEISA-N -1 1 388.205 1.736 20 0 GDADMM COCCN1CCC[C@@H]1CNS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000545546076 650459475 /nfs/dbraw/zinc/45/94/75/650459475.db2.gz TUFJXYIEURDGCW-CYBMUJFWSA-N -1 1 390.889 1.736 20 0 GDADMM 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Cn1ccc(NC(=O)C[N-]S(=O)(=O)Cc2ccsc2Br)n1 ZINC000915025403 660158506 /nfs/dbraw/zinc/15/85/06/660158506.db2.gz XEIYXQURYJFDKD-UHFFFAOYSA-N -1 1 393.288 1.302 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-]C[C@@]2(O)CCO[C@@H]2C)c1F ZINC000915070171 660160744 /nfs/dbraw/zinc/16/07/44/660160744.db2.gz SWMTXRGLOLDQSW-OQPBUACISA-N -1 1 398.250 1.415 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2C(=O)NCC[C@@H]2C)c1F ZINC000915225571 660164639 /nfs/dbraw/zinc/16/46/39/660164639.db2.gz NDQCSZTXMQWBPG-CPCISQLKSA-N -1 1 395.250 1.400 20 0 GDADMM Cn1c(=O)c2ccc(C(=O)[N-]S(=O)(=O)c3ccccc3)cc2[nH]c1=S ZINC000915815088 660178967 /nfs/dbraw/zinc/17/89/67/660178967.db2.gz UVGDDOBNELFULN-UHFFFAOYSA-N -1 1 375.431 1.341 20 0 GDADMM Cc1nc(S(=O)(=O)[N-]CC2(CO)CCCCC2)c(Br)n1C ZINC000385522744 677677319 /nfs/dbraw/zinc/67/73/19/677677319.db2.gz CIOWKSUJRRDYGK-UHFFFAOYSA-N -1 1 380.308 1.712 20 0 GDADMM C[C@@H](Oc1ccccc1Br)C(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC000798148394 677679273 /nfs/dbraw/zinc/67/92/73/677679273.db2.gz ZIXDIHSMIPLHAB-SNVBAGLBSA-N -1 1 396.245 1.240 20 0 GDADMM CN1CCN(c2cc(CNC(=O)N[C@@H](C(=O)[O-])c3ccccc3)ccn2)CC1 ZINC000780432021 939120242 /nfs/dbraw/zinc/12/02/42/939120242.db2.gz JLOHMWOWNLYZIZ-GOSISDBHSA-N -1 1 383.452 1.459 20 0 GDADMM CN1CCN(c2ncccc2CNC(=O)N[C@H](C(=O)[O-])c2ccccc2)CC1 ZINC000780476388 939126937 /nfs/dbraw/zinc/12/69/37/939126937.db2.gz KVRCCSRTAKXOCF-KRWDZBQOSA-N -1 1 383.452 1.459 20 0 GDADMM COc1cccc([C@@H](CNC(=O)NC2(C(=O)[O-])CCSCC2)N(C)C)c1 ZINC000908750426 939311261 /nfs/dbraw/zinc/31/12/61/939311261.db2.gz AGXUWGQNZSJRJD-OAHLLOKOSA-N -1 1 381.498 1.948 20 0 GDADMM CC(C)CN1CCO[C@@H](CNC(=O)N[C@@]2(C(=O)[O-])CCc3ccccc32)C1 ZINC000908759088 939313969 /nfs/dbraw/zinc/31/39/69/939313969.db2.gz YGMDSEOHDLZPGR-JXFKEZNVSA-N -1 1 375.469 1.569 20 0 GDADMM CN1CCN(C)[C@@H](CNC(=O)N[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)C1 ZINC000908987477 939366589 /nfs/dbraw/zinc/36/65/89/939366589.db2.gz RMXSTGZICRFHIN-KBPBESRZSA-N -1 1 388.390 1.376 20 0 GDADMM COc1ccc([C@H](NC(=O)C2CCC(N3CCOCC3)CC2)C(=O)[O-])cc1 ZINC000909329488 939396185 /nfs/dbraw/zinc/39/61/85/939396185.db2.gz ULMVCCXAZIODPA-HTWSVDAQSA-N -1 1 376.453 1.828 20 0 GDADMM CO[C@@H]1CCC[C@H]([C@H](NC(=O)c2ccnc(N3CCN(C)CC3)c2)C(=O)[O-])C1 ZINC000909906783 939740220 /nfs/dbraw/zinc/74/02/20/939740220.db2.gz GSYQOAZMWVOPCF-LESCRADOSA-N -1 1 390.484 1.222 20 0 GDADMM CN1CCN(Cc2ccc(C(=O)N[C@H](C(=O)[O-])c3cccc(O)c3)cc2)CC1 ZINC000911444386 939773176 /nfs/dbraw/zinc/77/31/76/939773176.db2.gz YZDYLPKBODDKQB-IBGZPJMESA-N -1 1 383.448 1.695 20 0 GDADMM COc1ccc([C@H](NC(=O)N[C@@H]2CCCN3CCSC[C@@H]23)C(=O)[O-])cc1 ZINC000929065183 939809405 /nfs/dbraw/zinc/80/94/05/939809405.db2.gz TZFABKVLPXWUQG-PMPSAXMXSA-N -1 1 379.482 1.700 20 0 GDADMM C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@](C)(C(=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000630194472 939817301 /nfs/dbraw/zinc/81/73/01/939817301.db2.gz YLTFKYSANBVFBQ-APPDUMDISA-N -1 1 379.438 1.108 20 0 GDADMM O=C([O-])[C@@H](c1ccccc1)N1CC[C@H](NCc2c[nH]nc2-c2cccnc2)C1=O ZINC001611362313 971012667 /nfs/dbraw/zinc/01/26/67/971012667.db2.gz SMVLXMHSCVGHRJ-PKOBYXMFSA-N -1 1 391.431 1.988 20 0 GDADMM O=C([O-])[C@H](c1ccccc1)N1CC[C@@H](NCc2c[nH]nc2-c2cccnc2)C1=O ZINC001611362312 971012188 /nfs/dbraw/zinc/01/21/88/971012188.db2.gz SMVLXMHSCVGHRJ-MJGOQNOKSA-N -1 1 391.431 1.988 20 0 GDADMM O=C([O-])c1ccc(NC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)c(F)c1 ZINC001601597851 971028544 /nfs/dbraw/zinc/02/85/44/971028544.db2.gz YJMQJYYHHODXFW-HNNXBMFYSA-N -1 1 394.447 1.442 20 0 GDADMM O=C([O-])c1ccc(NC(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)c(F)c1 ZINC001601597851 971028554 /nfs/dbraw/zinc/02/85/54/971028554.db2.gz YJMQJYYHHODXFW-HNNXBMFYSA-N -1 1 394.447 1.442 20 0 GDADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CC(=O)c2cc(C)c(F)c(C)c2)c1 ZINC000736941081 944917020 /nfs/dbraw/zinc/91/70/20/944917020.db2.gz OFWPJNLIPCCORM-UHFFFAOYSA-N -1 1 385.355 1.454 20 0 GDADMM CC[C@H]1CN(C(=O)c2ccsn2)CC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571261502 945427893 /nfs/dbraw/zinc/42/78/93/945427893.db2.gz GMJYXVXFKMGRHU-WDEREUQCSA-N -1 1 385.457 1.466 20 0 GDADMM CC[C@H]1CN(C(=O)c2ccsn2)CC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571261502 945427899 /nfs/dbraw/zinc/42/78/99/945427899.db2.gz GMJYXVXFKMGRHU-WDEREUQCSA-N -1 1 385.457 1.466 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](NC(=O)c3nccs3)[C@@H]2C)n1 ZINC001571261660 945429458 /nfs/dbraw/zinc/42/94/58/945429458.db2.gz HXMRKGAIQLOQML-WDEREUQCSA-N -1 1 385.457 1.209 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](NC(=O)c3nccs3)[C@@H]2C)n1 ZINC001571261660 945429462 /nfs/dbraw/zinc/42/94/62/945429462.db2.gz HXMRKGAIQLOQML-WDEREUQCSA-N -1 1 385.457 1.209 20 0 GDADMM COc1ccccc1C(=O)N1CC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571261683 945429553 /nfs/dbraw/zinc/42/95/53/945429553.db2.gz ILIPJHCXMCZQPC-LLVKDONJSA-N -1 1 385.453 1.967 20 0 GDADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H]1CCCCN1C(=O)c1cscn1 ZINC001571261871 945431091 /nfs/dbraw/zinc/43/10/91/945431091.db2.gz KXPPUEBKTBJXHY-ZWNOBZJWSA-N -1 1 385.457 1.609 20 0 GDADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H]1CCCCN1C(=O)c1cscn1 ZINC001571261871 945431092 /nfs/dbraw/zinc/43/10/92/945431092.db2.gz KXPPUEBKTBJXHY-ZWNOBZJWSA-N -1 1 385.457 1.609 20 0 GDADMM CCc1nc(N[C@H]2C[C@H](C)N(C(=O)c3nccs3)C2)cc(-c2nnn[n-]2)n1 ZINC001571261901 945433284 /nfs/dbraw/zinc/43/32/84/945433284.db2.gz LXCLHDVCUVIEQD-UWVGGRQHSA-N -1 1 385.457 1.391 20 0 GDADMM CCc1nc(N[C@H]2C[C@H](C)N(C(=O)c3nccs3)C2)cc(-c2nn[n-]n2)n1 ZINC001571261901 945433290 /nfs/dbraw/zinc/43/32/90/945433290.db2.gz LXCLHDVCUVIEQD-UWVGGRQHSA-N -1 1 385.457 1.391 20 0 GDADMM COc1ccnc(C(=O)N(C)C2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)c1 ZINC001571262013 945433779 /nfs/dbraw/zinc/43/37/79/945433779.db2.gz LZOCZVVABYWOBU-UHFFFAOYSA-N -1 1 385.453 1.288 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)CC1)c1cscn1 ZINC001571263267 945453987 /nfs/dbraw/zinc/45/39/87/945453987.db2.gz LNAZILNFMNKLQD-XYPYZODXSA-N -1 1 385.457 1.514 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)CC1)c1cscn1 ZINC001571263267 945453994 /nfs/dbraw/zinc/45/39/94/945453994.db2.gz LNAZILNFMNKLQD-XYPYZODXSA-N -1 1 385.457 1.514 20 0 GDADMM O=C(NC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)c1ccc(Cl)cn1 ZINC001571265338 945506752 /nfs/dbraw/zinc/50/67/52/945506752.db2.gz HOLKGGGLTHNCOG-NSHDSACASA-N -1 1 385.819 1.104 20 0 GDADMM O=C(NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)c1ccc(Cl)cn1 ZINC001571265338 945506762 /nfs/dbraw/zinc/50/67/62/945506762.db2.gz HOLKGGGLTHNCOG-NSHDSACASA-N -1 1 385.819 1.104 20 0 GDADMM COCC(=O)N1CC[C@H](CNc2nc(-c3nn[n-]n3)c(Cl)s2)[C@@H](C)C1 ZINC001571266223 945534620 /nfs/dbraw/zinc/53/46/20/945534620.db2.gz YEFJPUABRJYOKI-DTWKUNHWSA-N -1 1 385.881 1.520 20 0 GDADMM O=C(Cc1ccc(F)c(F)c1)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571267324 945566426 /nfs/dbraw/zinc/56/64/26/945566426.db2.gz QOKSGRAGKIEIJY-LLVKDONJSA-N -1 1 386.366 1.190 20 0 GDADMM O=C(Cc1ccc(F)c(F)c1)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571267324 945566433 /nfs/dbraw/zinc/56/64/33/945566433.db2.gz QOKSGRAGKIEIJY-LLVKDONJSA-N -1 1 386.366 1.190 20 0 GDADMM O=C(N1CCC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)C1(F)CCCC1 ZINC001571268312 945592329 /nfs/dbraw/zinc/59/23/29/945592329.db2.gz CWOLKBYBWWWLKX-QWHCGFSZSA-N -1 1 386.435 1.366 20 0 GDADMM O=C(N1CCC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)C1(F)CCCC1 ZINC001571268312 945592334 /nfs/dbraw/zinc/59/23/34/945592334.db2.gz CWOLKBYBWWWLKX-QWHCGFSZSA-N -1 1 386.435 1.366 20 0 GDADMM Cc1nsc(NC(=O)Nc2cccc3c2N(C)C(=O)CO3)c1-c1nnn[n-]1 ZINC001571268834 945606311 /nfs/dbraw/zinc/60/63/11/945606311.db2.gz XSPKDFZCSZBWMD-UHFFFAOYSA-N -1 1 386.397 1.631 20 0 GDADMM Cc1nsc(NC(=O)Nc2cccc3c2N(C)C(=O)CO3)c1-c1nn[n-]n1 ZINC001571268834 945606317 /nfs/dbraw/zinc/60/63/17/945606317.db2.gz XSPKDFZCSZBWMD-UHFFFAOYSA-N -1 1 386.397 1.631 20 0 GDADMM Cc1nsc(N2CCC[C@H](NC(=O)c3ccn(C)c3)[C@H]2C)c1-c1nn[n-]n1 ZINC001571271769 945650521 /nfs/dbraw/zinc/65/05/21/945650521.db2.gz IZURBCYPNAISPO-YPMHNXCESA-N -1 1 386.485 1.757 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC2CCN(C(=O)[C@H]3CCO[C@@H](C)C3)CC2)n1 ZINC001571272886 945674098 /nfs/dbraw/zinc/67/40/98/945674098.db2.gz KAAQDAYEEKUCRH-STQMWFEESA-N -1 1 386.460 1.183 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC2CCN(C(=O)[C@H]3CCO[C@@H](C)C3)CC2)n1 ZINC001571272886 945674103 /nfs/dbraw/zinc/67/41/03/945674103.db2.gz KAAQDAYEEKUCRH-STQMWFEESA-N -1 1 386.460 1.183 20 0 GDADMM CCc1nc(N[C@H]2C[C@H](NC(=O)[C@@H]3CCO[C@@H](C)C3)C2)cc(-c2nnn[n-]2)n1 ZINC001571272905 945674140 /nfs/dbraw/zinc/67/41/40/945674140.db2.gz KPWZLAUHSHCGIO-RNJOBUHISA-N -1 1 386.460 1.093 20 0 GDADMM CCc1nc(N[C@H]2C[C@H](NC(=O)[C@@H]3CCO[C@@H](C)C3)C2)cc(-c2nn[n-]n2)n1 ZINC001571272905 945674144 /nfs/dbraw/zinc/67/41/44/945674144.db2.gz KPWZLAUHSHCGIO-RNJOBUHISA-N -1 1 386.460 1.093 20 0 GDADMM COC1CCC(CC(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001571273026 945677023 /nfs/dbraw/zinc/67/70/23/945677023.db2.gz NJAXCCRWOPZMNQ-ROKHWSDSSA-N -1 1 386.460 1.265 20 0 GDADMM COC1CCC(CC(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571273026 945677026 /nfs/dbraw/zinc/67/70/26/945677026.db2.gz NJAXCCRWOPZMNQ-ROKHWSDSSA-N -1 1 386.460 1.265 20 0 GDADMM O=C(CC1CCOCC1)N1CCC(CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571273237 945681068 /nfs/dbraw/zinc/68/10/68/945681068.db2.gz TWKXVCCASGHTBG-UHFFFAOYSA-N -1 1 386.460 1.124 20 0 GDADMM O=C(CC1CCOCC1)N1CCC(CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571273237 945681076 /nfs/dbraw/zinc/68/10/76/945681076.db2.gz TWKXVCCASGHTBG-UHFFFAOYSA-N -1 1 386.460 1.124 20 0 GDADMM O=C(c1c(F)cncc1F)N1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571275097 945703304 /nfs/dbraw/zinc/70/33/04/945703304.db2.gz PDXGSFROGOQYNE-VIFPVBQESA-N -1 1 387.354 1.047 20 0 GDADMM O=C(c1c(F)cncc1F)N1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571275097 945703313 /nfs/dbraw/zinc/70/33/13/945703313.db2.gz PDXGSFROGOQYNE-VIFPVBQESA-N -1 1 387.354 1.047 20 0 GDADMM CC1(C)CO[C@@H](CC(=O)N2CC[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571275786 945715270 /nfs/dbraw/zinc/71/52/70/945715270.db2.gz CFUBMKWEXKLSQO-OLZOCXBDSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CO[C@@H](CC(=O)N2CC[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571275786 945715278 /nfs/dbraw/zinc/71/52/78/945715278.db2.gz CFUBMKWEXKLSQO-OLZOCXBDSA-N -1 1 386.460 1.122 20 0 GDADMM CC[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571276661 945734391 /nfs/dbraw/zinc/73/43/91/945734391.db2.gz KLFHYINRDSHBNR-NFAWXSAZSA-N -1 1 386.460 1.122 20 0 GDADMM CC[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571276661 945734399 /nfs/dbraw/zinc/73/43/99/945734399.db2.gz KLFHYINRDSHBNR-NFAWXSAZSA-N -1 1 386.460 1.122 20 0 GDADMM CCO[C@@H]1CN(C(=O)CC2CCC2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571277588 945743401 /nfs/dbraw/zinc/74/34/01/945743401.db2.gz MFOFCNDNJDBZEK-UKRRQHHQSA-N -1 1 386.460 1.122 20 0 GDADMM CCO[C@@H]1CN(C(=O)CC2CCC2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571277588 945743409 /nfs/dbraw/zinc/74/34/09/945743409.db2.gz MFOFCNDNJDBZEK-UKRRQHHQSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CO[C@@H](CC(=O)N2CCC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571278971 945765256 /nfs/dbraw/zinc/76/52/56/945765256.db2.gz TWTAMMWXMFHURP-OLZOCXBDSA-N -1 1 386.460 1.265 20 0 GDADMM CC1(C)CO[C@@H](CC(=O)N2CCC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571278971 945765263 /nfs/dbraw/zinc/76/52/63/945765263.db2.gz TWTAMMWXMFHURP-OLZOCXBDSA-N -1 1 386.460 1.265 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cccc(-c2nnn[n-]2)n1 ZINC001571279586 945782289 /nfs/dbraw/zinc/78/22/89/945782289.db2.gz SJEIFQASCQKJFL-VXGBXAGGSA-N -1 1 387.444 1.827 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cccc(-c2nn[n-]n2)n1 ZINC001571279586 945782298 /nfs/dbraw/zinc/78/22/98/945782298.db2.gz SJEIFQASCQKJFL-VXGBXAGGSA-N -1 1 387.444 1.827 20 0 GDADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)Nc1ncc(C2CCOCC2)s1 ZINC001571279729 945787028 /nfs/dbraw/zinc/78/70/28/945787028.db2.gz UHMAQYRJHKRAGC-UHFFFAOYSA-N -1 1 387.425 1.879 20 0 GDADMM Cc1nsc(N2CCC[C@H](NC(=O)Cc3ccco3)[C@H]2C)c1-c1nn[n-]n1 ZINC001571281414 945804680 /nfs/dbraw/zinc/80/46/80/945804680.db2.gz IGIOTHZVNMJLJU-YPMHNXCESA-N -1 1 387.469 1.941 20 0 GDADMM Cc1ccnn1CC(=O)N1CCC[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571282180 945832017 /nfs/dbraw/zinc/83/20/17/945832017.db2.gz TUHDNVVOGUIYNG-LBPRGKRZSA-N -1 1 387.473 1.240 20 0 GDADMM CCCn1cc(C(=O)N2CCN(c3snc(C)c3-c3nn[n-]n3)CC2)cn1 ZINC001571282200 945835643 /nfs/dbraw/zinc/83/56/43/945835643.db2.gz UKINCBXCFCVNSK-UHFFFAOYSA-N -1 1 387.473 1.201 20 0 GDADMM CC1(NC(=O)c2ccc(Cl)[nH]2)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571284182 945897576 /nfs/dbraw/zinc/89/75/76/945897576.db2.gz MIGQJGACLMUEEM-UHFFFAOYSA-N -1 1 387.835 1.427 20 0 GDADMM CC1(NC(=O)c2ccc(Cl)[nH]2)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571284182 945897586 /nfs/dbraw/zinc/89/75/86/945897586.db2.gz MIGQJGACLMUEEM-UHFFFAOYSA-N -1 1 387.835 1.427 20 0 GDADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)c2cc(Cl)c[nH]2)C1 ZINC001571285247 945913953 /nfs/dbraw/zinc/91/39/53/945913953.db2.gz ZWKYRCOOYIRVBK-ZJUUUORDSA-N -1 1 387.835 1.601 20 0 GDADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)c2cc(Cl)c[nH]2)C1 ZINC001571285247 945913958 /nfs/dbraw/zinc/91/39/58/945913958.db2.gz ZWKYRCOOYIRVBK-ZJUUUORDSA-N -1 1 387.835 1.601 20 0 GDADMM O=C(c1ccc(Cl)[nH]1)N1CCC(CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001571285830 945928477 /nfs/dbraw/zinc/92/84/77/945928477.db2.gz PDTGDDUYWGWDSG-UHFFFAOYSA-N -1 1 387.835 1.603 20 0 GDADMM O=C(c1ccc(Cl)[nH]1)N1CCC(CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001571285830 945928487 /nfs/dbraw/zinc/92/84/87/945928487.db2.gz PDTGDDUYWGWDSG-UHFFFAOYSA-N -1 1 387.835 1.603 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ccc2c(c1)CCC=C2 ZINC001571287396 945970635 /nfs/dbraw/zinc/97/06/35/945970635.db2.gz CTSXRQLTOYOXAR-WKILWMFISA-N -1 1 388.435 1.989 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ccc2c(c1)CCC=C2 ZINC001571287396 945970638 /nfs/dbraw/zinc/97/06/38/945970638.db2.gz CTSXRQLTOYOXAR-WKILWMFISA-N -1 1 388.435 1.989 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC001571288889 945993602 /nfs/dbraw/zinc/99/36/02/945993602.db2.gz UDDBRPNJVXHWOT-VGENLLEASA-N -1 1 388.435 1.302 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC001571288889 945993610 /nfs/dbraw/zinc/99/36/10/945993610.db2.gz UDDBRPNJVXHWOT-VGENLLEASA-N -1 1 388.435 1.302 20 0 GDADMM Cc1nsc(NC[C@@H]2CC[C@H](NC(=O)Cc3ccon3)C2)c1-c1nn[n-]n1 ZINC001571289445 946005885 /nfs/dbraw/zinc/00/58/85/946005885.db2.gz DSZBFOIRSREDJP-MNOVXSKESA-N -1 1 388.457 1.559 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)CC1)[C@H]1CC[C@@H](F)C1 ZINC001571289839 946020410 /nfs/dbraw/zinc/02/04/10/946020410.db2.gz NQDUOMWRMDPFNG-FQUUOJAGSA-N -1 1 388.451 1.882 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)CC1)[C@H]1CC[C@@H](F)C1 ZINC001571289839 946020415 /nfs/dbraw/zinc/02/04/15/946020415.db2.gz NQDUOMWRMDPFNG-FQUUOJAGSA-N -1 1 388.451 1.882 20 0 GDADMM Cc1ccc(CN2C[C@H](C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])CC2=O)cc1 ZINC000822237155 946025133 /nfs/dbraw/zinc/02/51/33/946025133.db2.gz HPJNVDQAPIRPGH-OAHLLOKOSA-N -1 1 392.419 1.868 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](CNC(=O)c3ccc(Cl)o3)C2)n1 ZINC001571290317 946039104 /nfs/dbraw/zinc/03/91/04/946039104.db2.gz AJWZLGNLOBWLJE-SNVBAGLBSA-N -1 1 388.819 1.468 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](CNC(=O)c3ccc(Cl)o3)C2)n1 ZINC001571290317 946039114 /nfs/dbraw/zinc/03/91/14/946039114.db2.gz AJWZLGNLOBWLJE-SNVBAGLBSA-N -1 1 388.819 1.468 20 0 GDADMM O=C(N[C@H]1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccc(Cl)o1 ZINC001571290545 946049148 /nfs/dbraw/zinc/04/91/48/946049148.db2.gz IKVSDDFTOMPLBC-ZJUUUORDSA-N -1 1 388.819 1.478 20 0 GDADMM CS[C@H](C)C(=O)N1CCC2(CCN(c3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001571290701 946052536 /nfs/dbraw/zinc/05/25/36/946052536.db2.gz MGNIEWXQKWBLKX-GFCCVEGCSA-N -1 1 388.501 1.227 20 0 GDADMM CS[C@H](C)C(=O)N1CCC2(CCN(c3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001571290701 946052548 /nfs/dbraw/zinc/05/25/48/946052548.db2.gz MGNIEWXQKWBLKX-GFCCVEGCSA-N -1 1 388.501 1.227 20 0 GDADMM CC1(C)CN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1NC(=O)c1ccc(Cl)o1 ZINC001571290847 946055518 /nfs/dbraw/zinc/05/55/18/946055518.db2.gz QTEMGRNYFGOTNE-JTQLQIEISA-N -1 1 388.819 1.548 20 0 GDADMM C[C@H](Nc1nccnc1-c1nnn[n-]1)[C@H]1CCN(C(=O)c2ccoc2Cl)C1 ZINC001571290854 946058759 /nfs/dbraw/zinc/05/87/59/946058759.db2.gz QVEKXYCOSPYLDL-UWVGGRQHSA-N -1 1 388.819 1.866 20 0 GDADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)[C@H]1CCN(C(=O)c2ccoc2Cl)C1 ZINC001571290854 946058773 /nfs/dbraw/zinc/05/87/73/946058773.db2.gz QVEKXYCOSPYLDL-UWVGGRQHSA-N -1 1 388.819 1.866 20 0 GDADMM C[C@H]1CN(C(=O)c2ccoc2Cl)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571290926 946059065 /nfs/dbraw/zinc/05/90/65/946059065.db2.gz UVTBBJMERAHIGR-VHSXEESVSA-N -1 1 388.819 1.723 20 0 GDADMM C[C@H]1CN(C(=O)c2ccoc2Cl)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571290926 946059080 /nfs/dbraw/zinc/05/90/80/946059080.db2.gz UVTBBJMERAHIGR-VHSXEESVSA-N -1 1 388.819 1.723 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cc(F)ccc1Cl ZINC001571290857 946061251 /nfs/dbraw/zinc/06/12/51/946061251.db2.gz QXMUUWZIWXSNEN-MGCOHNPYSA-N -1 1 388.794 1.822 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cc(F)ccc1Cl ZINC001571290857 946061264 /nfs/dbraw/zinc/06/12/64/946061264.db2.gz QXMUUWZIWXSNEN-MGCOHNPYSA-N -1 1 388.794 1.822 20 0 GDADMM O=C(CNC(=O)NCc1ccc(F)cc1)NCc1ccc(-c2nn[n-]n2)s1 ZINC001571291217 946071753 /nfs/dbraw/zinc/07/17/53/946071753.db2.gz GKSAOJJRLWDHSH-UHFFFAOYSA-N -1 1 389.416 1.183 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCc1ccn(C)c1 ZINC000822458993 946094404 /nfs/dbraw/zinc/09/44/04/946094404.db2.gz MAORATJPAGLHIT-UHFFFAOYSA-N -1 1 379.428 1.114 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCc1ccn(C)c1 ZINC000822458993 946094413 /nfs/dbraw/zinc/09/44/13/946094413.db2.gz MAORATJPAGLHIT-UHFFFAOYSA-N -1 1 379.428 1.114 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCCc1ccncc1 ZINC000822459587 946096614 /nfs/dbraw/zinc/09/66/14/946096614.db2.gz TVGPKUQRPJKMGY-UHFFFAOYSA-N -1 1 391.439 1.213 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCCc1ccncc1 ZINC000822459587 946096624 /nfs/dbraw/zinc/09/66/24/946096624.db2.gz TVGPKUQRPJKMGY-UHFFFAOYSA-N -1 1 391.439 1.213 20 0 GDADMM Cc1nsc(NC[C@@H]2CCCN2C(=O)c2[nH]c(=O)[nH]c2C)c1-c1nn[n-]n1 ZINC001571293588 946111094 /nfs/dbraw/zinc/11/10/94/946111094.db2.gz LYVKCMFXJSEEMG-VIFPVBQESA-N -1 1 389.445 1.085 20 0 GDADMM Cc1nsc(NC[C@H]2CCCN2C(=O)c2[nH]c(=O)[nH]c2C)c1-c1nn[n-]n1 ZINC001571293587 946111117 /nfs/dbraw/zinc/11/11/17/946111117.db2.gz LYVKCMFXJSEEMG-SECBINFHSA-N -1 1 389.445 1.085 20 0 GDADMM Cc1nsc(N2CCC[C@@H]2CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c1-c1nn[n-]n1 ZINC001571294182 946127033 /nfs/dbraw/zinc/12/70/33/946127033.db2.gz CHRUVXRPYCDSMU-LPWJVIDDSA-N -1 1 389.485 1.284 20 0 GDADMM O=C(c1coc(C(F)F)c1)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571294872 946148527 /nfs/dbraw/zinc/14/85/27/946148527.db2.gz OLSHKTMZHZNCAL-SNVBAGLBSA-N -1 1 390.354 1.904 20 0 GDADMM O=C(c1coc(C(F)F)c1)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571294872 946148539 /nfs/dbraw/zinc/14/85/39/946148539.db2.gz OLSHKTMZHZNCAL-SNVBAGLBSA-N -1 1 390.354 1.904 20 0 GDADMM Cc1nsc(NC[C@H]2CN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)CCO2)c1-c1nn[n-]n1 ZINC001571295587 946168536 /nfs/dbraw/zinc/16/85/36/946168536.db2.gz YJHPTZVUWCOMDF-LOWDOPEQSA-N -1 1 389.485 1.317 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccc2c(c1)CCCC2 ZINC001571297842 946199723 /nfs/dbraw/zinc/19/97/23/946199723.db2.gz BDOYWZDLLMCOBP-IYBDPMFKSA-N -1 1 390.451 1.908 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccc2c(c1)CCCC2 ZINC001571297842 946199727 /nfs/dbraw/zinc/19/97/27/946199727.db2.gz BDOYWZDLLMCOBP-IYBDPMFKSA-N -1 1 390.451 1.908 20 0 GDADMM O=C(c1cccc(C2CC2)c1)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571297954 946200320 /nfs/dbraw/zinc/20/03/20/946200320.db2.gz FKKXGGUFOACUTE-UHFFFAOYSA-N -1 1 390.451 1.887 20 0 GDADMM O=C(c1cccc(C2CC2)c1)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571297954 946200327 /nfs/dbraw/zinc/20/03/27/946200327.db2.gz FKKXGGUFOACUTE-UHFFFAOYSA-N -1 1 390.451 1.887 20 0 GDADMM O=C(N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C1(c2ccccc2)CC1 ZINC001571298005 946203569 /nfs/dbraw/zinc/20/35/69/946203569.db2.gz GWVVSNFQNAGRBM-HNNXBMFYSA-N -1 1 390.451 1.791 20 0 GDADMM O=C(N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C1(c2ccccc2)CC1 ZINC001571298005 946203579 /nfs/dbraw/zinc/20/35/79/946203579.db2.gz GWVVSNFQNAGRBM-HNNXBMFYSA-N -1 1 390.451 1.791 20 0 GDADMM O=C(c1cccc2c1CCC2)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571298017 946204336 /nfs/dbraw/zinc/20/43/36/946204336.db2.gz HFRWPILAIVIGCL-CQSZACIVSA-N -1 1 390.451 1.862 20 0 GDADMM O=C(c1cccc2c1CCC2)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571298017 946204342 /nfs/dbraw/zinc/20/43/42/946204342.db2.gz HFRWPILAIVIGCL-CQSZACIVSA-N -1 1 390.451 1.862 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)c(C)c1 ZINC001571298382 946216850 /nfs/dbraw/zinc/21/68/50/946216850.db2.gz FXQNYKBJYOYSJU-UOIKSKOESA-N -1 1 390.451 1.447 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)c(C)c1 ZINC001571298382 946216861 /nfs/dbraw/zinc/21/68/61/946216861.db2.gz FXQNYKBJYOYSJU-UOIKSKOESA-N -1 1 390.451 1.447 20 0 GDADMM CN(C(=O)c1sccc1Cl)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571298570 946220614 /nfs/dbraw/zinc/22/06/14/946220614.db2.gz BCWSDOJZFDSALY-SECBINFHSA-N -1 1 390.860 1.723 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2snc(Cl)c2-c2nnn[n-]2)C1)c1ccccn1 ZINC001571298544 946222842 /nfs/dbraw/zinc/22/28/42/946222842.db2.gz ASEJHEAANZXPMV-KYZUINATSA-N -1 1 390.860 1.992 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2snc(Cl)c2-c2nn[n-]n2)C1)c1ccccn1 ZINC001571298544 946222854 /nfs/dbraw/zinc/22/28/54/946222854.db2.gz ASEJHEAANZXPMV-KYZUINATSA-N -1 1 390.860 1.992 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)[C@H]2Cc3ccccc32)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571298918 946232966 /nfs/dbraw/zinc/23/29/66/946232966.db2.gz LPQOUAWKZUQISL-YQQAZPJKSA-N -1 1 390.451 1.470 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)[C@H]2Cc3ccccc32)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571298918 946232978 /nfs/dbraw/zinc/23/29/78/946232978.db2.gz LPQOUAWKZUQISL-YQQAZPJKSA-N -1 1 390.451 1.470 20 0 GDADMM COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000325428347 971214697 /nfs/dbraw/zinc/21/46/97/971214697.db2.gz YUPMEIQSDXDCEF-ONGXEEELSA-N -1 1 376.862 1.808 20 0 GDADMM Cc1ccccc1C1(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001571298953 946235077 /nfs/dbraw/zinc/23/50/77/946235077.db2.gz MJDNFAFVYNKMNE-AWEZNQCLSA-N -1 1 390.451 1.392 20 0 GDADMM Cc1ccccc1C1(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001571298953 946235089 /nfs/dbraw/zinc/23/50/89/946235089.db2.gz MJDNFAFVYNKMNE-AWEZNQCLSA-N -1 1 390.451 1.392 20 0 GDADMM CC(=O)N[C@@H](CC(=O)NCc1ccc(-c2nn[n-]n2)s1)c1cccs1 ZINC001573486085 946238581 /nfs/dbraw/zinc/23/85/81/946238581.db2.gz CHNDADJUFYIZJO-NSHDSACASA-N -1 1 376.467 1.873 20 0 GDADMM Cc1[nH]ccc1C(=O)N[C@@H]1[C@H]2CN(c3snc(Cl)c3-c3nnn[n-]3)C[C@H]21 ZINC001571299613 946255838 /nfs/dbraw/zinc/25/58/38/946255838.db2.gz NBIHHRYRDDNEHF-JZYVYDRUSA-N -1 1 390.860 1.478 20 0 GDADMM Cc1[nH]ccc1C(=O)N[C@@H]1[C@H]2CN(c3snc(Cl)c3-c3nn[n-]n3)C[C@H]21 ZINC001571299613 946255848 /nfs/dbraw/zinc/25/58/48/946255848.db2.gz NBIHHRYRDDNEHF-JZYVYDRUSA-N -1 1 390.860 1.478 20 0 GDADMM O=C(c1cscc1Cl)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571299692 946258119 /nfs/dbraw/zinc/25/81/19/946258119.db2.gz OPZFMFUECOUSKP-SECBINFHSA-N -1 1 390.860 1.946 20 0 GDADMM O=C(c1cscc1Cl)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571299692 946258130 /nfs/dbraw/zinc/25/81/30/946258130.db2.gz OPZFMFUECOUSKP-SECBINFHSA-N -1 1 390.860 1.946 20 0 GDADMM O=C([C@@H]1CCc2ccccc2C1)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571300009 946270278 /nfs/dbraw/zinc/27/02/78/946270278.db2.gz XZTRHPRZZUJBGM-HZPDHXFCSA-N -1 1 390.451 1.475 20 0 GDADMM O=C([C@@H]1CCc2ccccc2C1)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571300009 946270289 /nfs/dbraw/zinc/27/02/89/946270289.db2.gz XZTRHPRZZUJBGM-HZPDHXFCSA-N -1 1 390.451 1.475 20 0 GDADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(Cl)s1 ZINC001571300287 946277460 /nfs/dbraw/zinc/27/74/60/946277460.db2.gz YVFWAGMVAQGZKM-RKDXNWHRSA-N -1 1 390.860 1.509 20 0 GDADMM O=C(N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cc(Cl)cs1 ZINC001571300303 946280678 /nfs/dbraw/zinc/28/06/78/946280678.db2.gz ZGEWCNTYUDHVTA-JTQLQIEISA-N -1 1 390.860 1.770 20 0 GDADMM O=C(N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cc(Cl)cs1 ZINC001571300303 946280687 /nfs/dbraw/zinc/28/06/87/946280687.db2.gz ZGEWCNTYUDHVTA-JTQLQIEISA-N -1 1 390.860 1.770 20 0 GDADMM Cc1ccccc1[C@H](O)CNS(=O)(=O)c1c(C)cc(F)cc1-c1nn[n-]n1 ZINC001571302817 946315196 /nfs/dbraw/zinc/31/51/96/946315196.db2.gz DFTGBKQVMXDEBB-OAHLLOKOSA-N -1 1 391.428 1.635 20 0 GDADMM O=C([C@H]1CCCc2cccnc21)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571303647 946343281 /nfs/dbraw/zinc/34/32/81/946343281.db2.gz VBZCBRRDBAHJNV-KGLIPLIRSA-N -1 1 391.439 1.185 20 0 GDADMM O=C([C@H]1CCCc2cccnc21)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571303647 946343292 /nfs/dbraw/zinc/34/32/92/946343292.db2.gz VBZCBRRDBAHJNV-KGLIPLIRSA-N -1 1 391.439 1.185 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1)c1cccnc1 ZINC001571303955 946353629 /nfs/dbraw/zinc/35/36/29/946353629.db2.gz TYSDMKSKXBUSMS-OYNZBZHQSA-N -1 1 391.439 1.081 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1)c1cccnc1 ZINC001571303955 946353643 /nfs/dbraw/zinc/35/36/43/946353643.db2.gz TYSDMKSKXBUSMS-OYNZBZHQSA-N -1 1 391.439 1.081 20 0 GDADMM CN(c1ccnc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)c2ncc(Cl)s2)C1 ZINC001571305550 946368204 /nfs/dbraw/zinc/36/82/04/946368204.db2.gz DZEYZIRRWWBCJU-QMMMGPOBSA-N -1 1 391.848 1.118 20 0 GDADMM CO[C@@H](C(=O)N1C[C@@H]2CN(c3snc(C)c3-c3nn[n-]n3)C[C@@H]2C1)C(C)C ZINC001571305869 946379587 /nfs/dbraw/zinc/37/95/87/946379587.db2.gz MLPDBGHBNUEUDG-MBNYWOFBSA-N -1 1 391.501 1.197 20 0 GDADMM Cc1nsc(NC2CCN(C(=O)[C@H](C)[C@@H]3CCCO3)CC2)c1-c1nn[n-]n1 ZINC001571305895 946379654 /nfs/dbraw/zinc/37/96/54/946379654.db2.gz NFGWFGUQQRSHJH-MFKMUULPSA-N -1 1 391.501 1.850 20 0 GDADMM Cc1nsc(N(C)[C@@H]2CCCN(C(=O)C[C@@H]3CCCO3)C2)c1-c1nn[n-]n1 ZINC001571306058 946383952 /nfs/dbraw/zinc/38/39/52/946383952.db2.gz OTSIPJLFKSGSFH-OLZOCXBDSA-N -1 1 391.501 1.628 20 0 GDADMM Cc1nsc(N(C)C2CCN(C(=O)[C@H]3CCCCO3)CC2)c1-c1nn[n-]n1 ZINC001571306133 946389058 /nfs/dbraw/zinc/38/90/58/946389058.db2.gz PZUQYULBSBQGSL-CYBMUJFWSA-N -1 1 391.501 1.628 20 0 GDADMM Cc1nsc(NCC[C@@H]2CCCCN2C(=O)[C@H]2CCCO2)c1-c1nn[n-]n1 ZINC001571306684 946408211 /nfs/dbraw/zinc/40/82/11/946408211.db2.gz ZLWGZGZXTNXQJJ-QWHCGFSZSA-N -1 1 391.501 1.994 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCC(CNc3nccnc3-c3nnn[n-]3)CC2)CC1 ZINC001571307255 946420099 /nfs/dbraw/zinc/42/00/99/946420099.db2.gz BDQDPTVOFBRQKS-UHFFFAOYSA-N -1 1 392.414 1.743 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCC(CNc3nccnc3-c3nn[n-]n3)CC2)CC1 ZINC001571307255 946420109 /nfs/dbraw/zinc/42/01/09/946420109.db2.gz BDQDPTVOFBRQKS-UHFFFAOYSA-N -1 1 392.414 1.743 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@@H]2CCN(C(=O)C3(C(F)F)CC3)C2)n1 ZINC001571307274 946421047 /nfs/dbraw/zinc/42/10/47/946421047.db2.gz CCIUYLBFHGHURB-NSHDSACASA-N -1 1 392.414 1.295 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@@H]2CCN(C(=O)C3(C(F)F)CC3)C2)n1 ZINC001571307274 946421050 /nfs/dbraw/zinc/42/10/50/946421050.db2.gz CCIUYLBFHGHURB-NSHDSACASA-N -1 1 392.414 1.295 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571307546 946423046 /nfs/dbraw/zinc/42/30/46/946423046.db2.gz DPCWWZKNJUCWFC-MNOVXSKESA-N -1 1 392.414 1.163 20 0 GDADMM O=C(N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1)C1(F)CCOCC1 ZINC001571307862 946426373 /nfs/dbraw/zinc/42/63/73/946426373.db2.gz ICNZGYPEXLVXPO-ZDUSSCGKSA-N -1 1 392.410 1.215 20 0 GDADMM O=C([C@@H]1CCCCC1(F)F)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571308024 946429842 /nfs/dbraw/zinc/42/98/42/946429842.db2.gz KBJADSXCOBDVPN-NEPJUHHUSA-N -1 1 392.414 1.885 20 0 GDADMM O=C([C@@H]1CCCCC1(F)F)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571308024 946429848 /nfs/dbraw/zinc/42/98/48/946429848.db2.gz KBJADSXCOBDVPN-NEPJUHHUSA-N -1 1 392.414 1.885 20 0 GDADMM C[C@@H]1C[C@H](NC(=O)CC2CC(F)(F)C2)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571308521 946432945 /nfs/dbraw/zinc/43/29/45/946432945.db2.gz PYVLMURLPYTGMN-ZYHUDNBSSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@@H]1C[C@H](NC(=O)CC2CC(F)(F)C2)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571308521 946432949 /nfs/dbraw/zinc/43/29/49/946432949.db2.gz PYVLMURLPYTGMN-ZYHUDNBSSA-N -1 1 392.414 1.566 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC(F)(F)C2)CCN1c1nccnc1-c1nnn[n-]1 ZINC001571309383 946442829 /nfs/dbraw/zinc/44/28/29/946442829.db2.gz YRDKWEKVRPQAHW-SDDRHHMPSA-N -1 1 392.414 1.566 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC(F)(F)C2)CCN1c1nccnc1-c1nn[n-]n1 ZINC001571309383 946442836 /nfs/dbraw/zinc/44/28/36/946442836.db2.gz YRDKWEKVRPQAHW-SDDRHHMPSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)CC2CC(F)(F)C2)C1 ZINC001571309354 946442879 /nfs/dbraw/zinc/44/28/79/946442879.db2.gz YFTZFUDWRVTYDH-ZYHUDNBSSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)CC2CC(F)(F)C2)C1 ZINC001571309354 946442888 /nfs/dbraw/zinc/44/28/88/946442888.db2.gz YFTZFUDWRVTYDH-ZYHUDNBSSA-N -1 1 392.414 1.741 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1CCC(F)(F)CC1 ZINC001571309577 946448963 /nfs/dbraw/zinc/44/89/63/946448963.db2.gz DPRBKSXQHYXOQV-GFCCVEGCSA-N -1 1 392.414 1.567 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1CCC(F)(F)CC1 ZINC001571309577 946448968 /nfs/dbraw/zinc/44/89/68/946448968.db2.gz DPRBKSXQHYXOQV-GFCCVEGCSA-N -1 1 392.414 1.567 20 0 GDADMM CN(C(=O)c1ccc2c(c1)COC2)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571309655 946451717 /nfs/dbraw/zinc/45/17/17/946451717.db2.gz GXHOSJDUQAAWQU-OAHLLOKOSA-N -1 1 392.423 1.038 20 0 GDADMM CN(C(=O)c1ccc2c(c1)COC2)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571309655 946451721 /nfs/dbraw/zinc/45/17/21/946451721.db2.gz GXHOSJDUQAAWQU-OAHLLOKOSA-N -1 1 392.423 1.038 20 0 GDADMM O=C(C[C@H]1CCCC1(F)F)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571309809 946455258 /nfs/dbraw/zinc/45/52/58/946455258.db2.gz LJUBSNDKGYZETH-VXGBXAGGSA-N -1 1 392.414 1.885 20 0 GDADMM O=C(C[C@H]1CCCC1(F)F)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571309809 946455271 /nfs/dbraw/zinc/45/52/71/946455271.db2.gz LJUBSNDKGYZETH-VXGBXAGGSA-N -1 1 392.414 1.885 20 0 GDADMM O=C([C@@H]1COc2ccccc21)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571310123 946464026 /nfs/dbraw/zinc/46/40/26/946464026.db2.gz VXIYOAVKVNDCMQ-TZMCWYRMSA-N -1 1 392.423 1.236 20 0 GDADMM O=C([C@@H]1COc2ccccc21)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571310123 946464037 /nfs/dbraw/zinc/46/40/37/946464037.db2.gz VXIYOAVKVNDCMQ-TZMCWYRMSA-N -1 1 392.423 1.236 20 0 GDADMM CC(C)(C)c1ccccc1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571310399 946470858 /nfs/dbraw/zinc/47/08/58/946470858.db2.gz FANRYLIZGYOLBD-ZDUSSCGKSA-N -1 1 392.467 1.963 20 0 GDADMM CC(C)(Cc1ccccc1)C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571311031 946480544 /nfs/dbraw/zinc/48/05/44/946480544.db2.gz QFDDHVWZFSVDHP-OAHLLOKOSA-N -1 1 392.467 1.938 20 0 GDADMM CC(C)(Cc1ccccc1)C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571311031 946480548 /nfs/dbraw/zinc/48/05/48/946480548.db2.gz QFDDHVWZFSVDHP-OAHLLOKOSA-N -1 1 392.467 1.938 20 0 GDADMM Cc1cc(NC(=O)NCc2ccc(-c3nn[n-]n3)s2)cc(S(C)(=O)=O)c1 ZINC001571311540 946489309 /nfs/dbraw/zinc/48/93/09/946489309.db2.gz ZRPVKCBIYJWDKZ-UHFFFAOYSA-N -1 1 392.466 1.962 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@](C)(NC(=O)c3ccc(C)cc3)C2)n1 ZINC001571313235 946515067 /nfs/dbraw/zinc/51/50/67/946515067.db2.gz KTXLGAJERTXBFU-FQEVSTJZSA-N -1 1 392.467 1.926 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@](C)(NC(=O)c3ccc(C)cc3)C2)n1 ZINC001571313235 946515086 /nfs/dbraw/zinc/51/50/86/946515086.db2.gz KTXLGAJERTXBFU-FQEVSTJZSA-N -1 1 392.467 1.926 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](N(CC)C(=O)c3ccccc3)C2)n1 ZINC001571313315 946517935 /nfs/dbraw/zinc/51/79/35/946517935.db2.gz MHUUTJOQRCLXNP-OAHLLOKOSA-N -1 1 392.467 1.960 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](N(CC)C(=O)c3ccccc3)C2)n1 ZINC001571313315 946517944 /nfs/dbraw/zinc/51/79/44/946517944.db2.gz MHUUTJOQRCLXNP-OAHLLOKOSA-N -1 1 392.467 1.960 20 0 GDADMM CCc1cccc(CC(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)[C@@H]2C)c1 ZINC001571313292 946518223 /nfs/dbraw/zinc/51/82/23/946518223.db2.gz LSPRQQJUOVJMHR-CJNGLKHVSA-N -1 1 392.467 1.545 20 0 GDADMM CCc1cccc(CC(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)[C@@H]2C)c1 ZINC001571313292 946518226 /nfs/dbraw/zinc/51/82/26/946518226.db2.gz LSPRQQJUOVJMHR-CJNGLKHVSA-N -1 1 392.467 1.545 20 0 GDADMM O=C(c1ccccc1O)N1CCC[C@@H]2[C@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001571313623 946527487 /nfs/dbraw/zinc/52/74/87/946527487.db2.gz UWYDWQQNTWPRKB-HUUCEWRRSA-N -1 1 392.423 1.246 20 0 GDADMM O=C(c1ccccc1O)N1CCC[C@@H]2[C@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001571313623 946527493 /nfs/dbraw/zinc/52/74/93/946527493.db2.gz UWYDWQQNTWPRKB-HUUCEWRRSA-N -1 1 392.423 1.246 20 0 GDADMM O=C(c1cccc2c1CCOC2)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571313675 946530902 /nfs/dbraw/zinc/53/09/02/946530902.db2.gz VKRMXFYOCQYDBE-CYBMUJFWSA-N -1 1 392.423 1.056 20 0 GDADMM O=C(c1cccc2c1CCOC2)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571313675 946530914 /nfs/dbraw/zinc/53/09/14/946530914.db2.gz VKRMXFYOCQYDBE-CYBMUJFWSA-N -1 1 392.423 1.056 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H]2CNC(=O)c2ccc(C)c(C)c2)n1 ZINC001571314918 946544087 /nfs/dbraw/zinc/54/40/87/946544087.db2.gz DNTJKEOMLANYBM-MRXNPFEDSA-N -1 1 392.467 1.981 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H]2CNC(=O)c2ccc(C)c(C)c2)n1 ZINC001571314918 946544097 /nfs/dbraw/zinc/54/40/97/946544097.db2.gz DNTJKEOMLANYBM-MRXNPFEDSA-N -1 1 392.467 1.981 20 0 GDADMM Cc1cccc(C(=O)NC[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)c1C ZINC001571314758 946544952 /nfs/dbraw/zinc/54/49/52/946544952.db2.gz CFSOYHWNKFWPNY-OAHLLOKOSA-N -1 1 392.467 1.920 20 0 GDADMM Cc1cccc(C(=O)NC[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)c1C ZINC001571314758 946544963 /nfs/dbraw/zinc/54/49/63/946544963.db2.gz CFSOYHWNKFWPNY-OAHLLOKOSA-N -1 1 392.467 1.920 20 0 GDADMM Cc1cc(C)cc(CC(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H](C)C2)c1 ZINC001571316010 946563733 /nfs/dbraw/zinc/56/37/33/946563733.db2.gz ROPWDOWCPRRBLS-YOEHRIQHSA-N -1 1 392.467 1.775 20 0 GDADMM Cc1cc(C)cc(CC(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H](C)C2)c1 ZINC001571316010 946563740 /nfs/dbraw/zinc/56/37/40/946563740.db2.gz ROPWDOWCPRRBLS-YOEHRIQHSA-N -1 1 392.467 1.775 20 0 GDADMM Cc1cc(C)cc(CC(=O)N2C[C@@H](C)[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571316007 946564225 /nfs/dbraw/zinc/56/42/25/946564225.db2.gz ROPWDOWCPRRBLS-PBHICJAKSA-N -1 1 392.467 1.775 20 0 GDADMM Cc1cc(C)cc(CC(=O)N2C[C@@H](C)[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571316007 946564236 /nfs/dbraw/zinc/56/42/36/946564236.db2.gz ROPWDOWCPRRBLS-PBHICJAKSA-N -1 1 392.467 1.775 20 0 GDADMM Cc1ocnc1C(=O)N[C@@H]1[C@H]2CN(c3snc(Cl)c3-c3nnn[n-]3)C[C@H]21 ZINC001571317280 946607161 /nfs/dbraw/zinc/60/71/61/946607161.db2.gz AUEIDMTXBWJWRR-MTBHXBHISA-N -1 1 392.832 1.138 20 0 GDADMM Cc1ocnc1C(=O)N[C@@H]1[C@H]2CN(c3snc(Cl)c3-c3nn[n-]n3)C[C@H]21 ZINC001571317280 946607166 /nfs/dbraw/zinc/60/71/66/946607166.db2.gz AUEIDMTXBWJWRR-MTBHXBHISA-N -1 1 392.832 1.138 20 0 GDADMM O=C(N[C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1csc(-c2nn[n-]n2)c1 ZINC001571317527 946613716 /nfs/dbraw/zinc/61/37/16/946613716.db2.gz LHJOXOIHIQSQKM-QMMMGPOBSA-N -1 1 392.832 1.086 20 0 GDADMM Cc1ccn(C)c1C(=O)N[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571317685 946619261 /nfs/dbraw/zinc/61/92/61/946619261.db2.gz QVEOVTCVHZAHTK-SECBINFHSA-N -1 1 392.876 1.632 20 0 GDADMM Cc1ccn(C)c1C(=O)N[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571317685 946619267 /nfs/dbraw/zinc/61/92/67/946619267.db2.gz QVEOVTCVHZAHTK-SECBINFHSA-N -1 1 392.876 1.632 20 0 GDADMM CC(=O)Nc1ccc(CCNS(=O)(=O)c2ccsc2-c2nn[n-]n2)cc1 ZINC001573547890 946842309 /nfs/dbraw/zinc/84/23/09/946842309.db2.gz XPNSGDULRVBSPD-UHFFFAOYSA-N -1 1 392.466 1.408 20 0 GDADMM CC(=O)c1ccc(OCCCC(=O)NCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001573555525 946911375 /nfs/dbraw/zinc/91/13/75/946911375.db2.gz ADHRWICLNPKGAO-UHFFFAOYSA-N -1 1 380.408 1.940 20 0 GDADMM CC(=O)c1ccc(OCCCC(=O)NCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001573555525 946911397 /nfs/dbraw/zinc/91/13/97/946911397.db2.gz ADHRWICLNPKGAO-UHFFFAOYSA-N -1 1 380.408 1.940 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCCc1ccsc1 ZINC000825000155 947037261 /nfs/dbraw/zinc/03/72/61/947037261.db2.gz NFYGQJMQVAWTEX-CYBMUJFWSA-N -1 1 398.496 1.778 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCCc1ccsc1 ZINC000825000155 947037273 /nfs/dbraw/zinc/03/72/73/947037273.db2.gz NFYGQJMQVAWTEX-CYBMUJFWSA-N -1 1 398.496 1.778 20 0 GDADMM CCCCN(C)C(=O)C1CCN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)CC1 ZINC000825282525 947141396 /nfs/dbraw/zinc/14/13/96/947141396.db2.gz VXBZYQALODXKMZ-UHFFFAOYSA-N -1 1 389.460 1.203 20 0 GDADMM CCCCN(C)C(=O)C1CCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)CC1 ZINC000825282525 947141403 /nfs/dbraw/zinc/14/14/03/947141403.db2.gz VXBZYQALODXKMZ-UHFFFAOYSA-N -1 1 389.460 1.203 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)Nc2ccc(F)cc2F)c1-c1nn[n-]n1 ZINC000825571025 947234065 /nfs/dbraw/zinc/23/40/65/947234065.db2.gz SLADPTDFTKPGTH-UHFFFAOYSA-N -1 1 377.311 1.157 20 0 GDADMM C=C/C(C)=C\CC(=O)NC[C@]1(C)CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573318231 947304819 /nfs/dbraw/zinc/30/48/19/947304819.db2.gz RRBYWCUWWJESEQ-COXIKBTRSA-N -1 1 382.472 1.902 20 0 GDADMM C=C/C(C)=C\CC(=O)NC[C@]1(C)CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573318231 947304830 /nfs/dbraw/zinc/30/48/30/947304830.db2.gz RRBYWCUWWJESEQ-COXIKBTRSA-N -1 1 382.472 1.902 20 0 GDADMM C[C@@H](C(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccsc1 ZINC001573591543 947314692 /nfs/dbraw/zinc/31/46/92/947314692.db2.gz CPAQMCXGDCSOIY-DGCLKSJQSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@@H](C(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccsc1 ZINC001573591543 947314708 /nfs/dbraw/zinc/31/47/08/947314708.db2.gz CPAQMCXGDCSOIY-DGCLKSJQSA-N -1 1 384.469 1.559 20 0 GDADMM C=C/C(C)=C\CC(=O)N1CC[C@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001573318845 947315617 /nfs/dbraw/zinc/31/56/17/947315617.db2.gz SDQVUFUZQWPNSO-SYJCXWOLSA-N -1 1 380.456 1.608 20 0 GDADMM C=C/C(C)=C\CC(=O)N1CC[C@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001573318845 947315637 /nfs/dbraw/zinc/31/56/37/947315637.db2.gz SDQVUFUZQWPNSO-SYJCXWOLSA-N -1 1 380.456 1.608 20 0 GDADMM C=C/C(C)=C/CC(=O)N[C@@H]1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)C[C@H]1O ZINC001573318890 947317383 /nfs/dbraw/zinc/31/73/83/947317383.db2.gz SYXBQJSOPXTARQ-PSVJHUJZSA-N -1 1 395.876 1.165 20 0 GDADMM C=C/C(C)=C/CC(=O)N[C@]12CCC[C@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001573319287 947328198 /nfs/dbraw/zinc/32/81/98/947328198.db2.gz VKLCHRZTSHETPZ-XRIADBRUSA-N -1 1 380.456 1.797 20 0 GDADMM C=C/C(C)=C/CC(=O)N[C@]12CCC[C@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001573319287 947328209 /nfs/dbraw/zinc/32/82/09/947328209.db2.gz VKLCHRZTSHETPZ-XRIADBRUSA-N -1 1 380.456 1.797 20 0 GDADMM C=C/C(C)=C/CC(=O)NCCC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573319922 947337899 /nfs/dbraw/zinc/33/78/99/947337899.db2.gz WLKUJCLTTOZWSH-LNKIKWGQSA-N -1 1 382.472 1.902 20 0 GDADMM C=C/C(C)=C/CC(=O)NCCC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573319922 947337904 /nfs/dbraw/zinc/33/79/04/947337904.db2.gz WLKUJCLTTOZWSH-LNKIKWGQSA-N -1 1 382.472 1.902 20 0 GDADMM CN(C)S(=O)(=O)c1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000825875291 947351331 /nfs/dbraw/zinc/35/13/31/947351331.db2.gz ISPILEBVDNYNKV-UHFFFAOYSA-N -1 1 392.466 1.109 20 0 GDADMM CN(C)S(=O)(=O)c1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000825875291 947351341 /nfs/dbraw/zinc/35/13/41/947351341.db2.gz ISPILEBVDNYNKV-UHFFFAOYSA-N -1 1 392.466 1.109 20 0 GDADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCO1 ZINC001573592946 947356711 /nfs/dbraw/zinc/35/67/11/947356711.db2.gz OOBPXPNKOSYVJE-TZMCWYRMSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCO1 ZINC001573592946 947356725 /nfs/dbraw/zinc/35/67/25/947356725.db2.gz OOBPXPNKOSYVJE-TZMCWYRMSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@H](C(=O)N(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)C(C)(F)F ZINC001573593624 947374282 /nfs/dbraw/zinc/37/42/82/947374282.db2.gz LCFGSNXIDCORER-BXKDBHETSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@H](C(=O)N(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)C(C)(F)F ZINC001573593624 947374295 /nfs/dbraw/zinc/37/42/95/947374295.db2.gz LCFGSNXIDCORER-BXKDBHETSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@H](C(=O)N(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)c1ccco1 ZINC001573593596 947375555 /nfs/dbraw/zinc/37/55/55/947375555.db2.gz KXPIBFYTOUNXQY-FZMZJTMJSA-N -1 1 382.428 1.702 20 0 GDADMM C[C@H](C(=O)N(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)c1ccco1 ZINC001573593596 947375569 /nfs/dbraw/zinc/37/55/69/947375569.db2.gz KXPIBFYTOUNXQY-FZMZJTMJSA-N -1 1 382.428 1.702 20 0 GDADMM C[C@H](C(=O)N(C)C1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cccnc1 ZINC001573593921 947382865 /nfs/dbraw/zinc/38/28/65/947382865.db2.gz NARDOBQQVUNODQ-XGNXJENSSA-N -1 1 379.428 1.257 20 0 GDADMM C[C@H](C(=O)N(C)C1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cccnc1 ZINC001573593921 947382875 /nfs/dbraw/zinc/38/28/75/947382875.db2.gz NARDOBQQVUNODQ-XGNXJENSSA-N -1 1 379.428 1.257 20 0 GDADMM C[C@H](C(=O)N(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)c1ccco1 ZINC001573593931 947383284 /nfs/dbraw/zinc/38/32/84/947383284.db2.gz NGXKFLXHBXMTBE-FZMZJTMJSA-N -1 1 382.428 1.702 20 0 GDADMM C[C@H](C(=O)N(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)c1ccco1 ZINC001573593931 947383291 /nfs/dbraw/zinc/38/32/91/947383291.db2.gz NGXKFLXHBXMTBE-FZMZJTMJSA-N -1 1 382.428 1.702 20 0 GDADMM C[C@@H](C(=O)N(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)c1ccco1 ZINC001573594534 947397102 /nfs/dbraw/zinc/39/71/02/947397102.db2.gz PQANDWLUPNFMTM-RISCZKNCSA-N -1 1 382.428 1.702 20 0 GDADMM C[C@@H](C(=O)N(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)c1ccco1 ZINC001573594534 947397118 /nfs/dbraw/zinc/39/71/18/947397118.db2.gz PQANDWLUPNFMTM-RISCZKNCSA-N -1 1 382.428 1.702 20 0 GDADMM C[C@@H](C(=O)N(C)CCCN(C)c1cncc(-c2nnn[n-]2)n1)c1ccsc1 ZINC001573594902 947409958 /nfs/dbraw/zinc/40/99/58/947409958.db2.gz DQEVYWXQACUUEG-GFCCVEGCSA-N -1 1 386.485 1.807 20 0 GDADMM C[C@@H](C(=O)N(C)CCCN(C)c1cncc(-c2nn[n-]n2)n1)c1ccsc1 ZINC001573594902 947409967 /nfs/dbraw/zinc/40/99/67/947409967.db2.gz DQEVYWXQACUUEG-GFCCVEGCSA-N -1 1 386.485 1.807 20 0 GDADMM C[C@H](C(=O)N(C)C1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573595695 947424901 /nfs/dbraw/zinc/42/49/01/947424901.db2.gz ZSLQHGSKPFEITG-UNXYVOJBSA-N -1 1 384.469 1.345 20 0 GDADMM C[C@H](C(=O)N(C)CCN(C)c1cnc(-c2nnn[n-]2)cn1)c1cccc(F)c1 ZINC001573605164 947525403 /nfs/dbraw/zinc/52/54/03/947525403.db2.gz YYSIFUAEKSIESW-LBPRGKRZSA-N -1 1 384.419 1.494 20 0 GDADMM C[C@H](C(=O)N(C)CCN(C)c1cnc(-c2nn[n-]n2)cn1)c1cccc(F)c1 ZINC001573605164 947525413 /nfs/dbraw/zinc/52/54/13/947525413.db2.gz YYSIFUAEKSIESW-LBPRGKRZSA-N -1 1 384.419 1.494 20 0 GDADMM C[C@@H](C(=O)N(C)CCNc1ccnc(-c2nn[n-]n2)n1)c1cccc(Cl)c1 ZINC001573605759 947533517 /nfs/dbraw/zinc/53/35/17/947533517.db2.gz ZISRTNMCAZTWEZ-LLVKDONJSA-N -1 1 386.847 1.406 20 0 GDADMM C[C@H]([C@H](C)C(=O)N(CCO)CCNc1cnc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001573607113 947540680 /nfs/dbraw/zinc/54/06/80/947540680.db2.gz FREOEMURNRVUIH-QWHCGFSZSA-N -1 1 390.492 1.208 20 0 GDADMM C[C@H]([C@H](C)C(=O)N(CCO)CCNc1cnc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001573607113 947540683 /nfs/dbraw/zinc/54/06/83/947540683.db2.gz FREOEMURNRVUIH-QWHCGFSZSA-N -1 1 390.492 1.208 20 0 GDADMM C[C@@H](C(=O)N1CCC(C)(Nc2nccnc2-c2nnn[n-]2)CC1)C(F)(F)F ZINC001573613886 947573340 /nfs/dbraw/zinc/57/33/40/947573340.db2.gz BFRVCOZEYQRCSG-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](C(=O)N1CCC(C)(Nc2nccnc2-c2nn[n-]n2)CC1)C(F)(F)F ZINC001573613886 947573344 /nfs/dbraw/zinc/57/33/44/947573344.db2.gz BFRVCOZEYQRCSG-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CN(C)c2nccnc2-c2nnn[n-]2)C1)C(C)(F)F ZINC001573614366 947583333 /nfs/dbraw/zinc/58/33/33/947583333.db2.gz DPXVNLWUSUKNFC-GHMZBOCLSA-N -1 1 380.403 1.233 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CN(C)c2nccnc2-c2nn[n-]n2)C1)C(C)(F)F ZINC001573614366 947583343 /nfs/dbraw/zinc/58/33/43/947583343.db2.gz DPXVNLWUSUKNFC-GHMZBOCLSA-N -1 1 380.403 1.233 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001573614633 947587401 /nfs/dbraw/zinc/58/74/01/947587401.db2.gz NSBNICJDNUIPQI-MELADBBJSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001573614633 947587408 /nfs/dbraw/zinc/58/74/08/947587408.db2.gz NSBNICJDNUIPQI-MELADBBJSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CN(C)c2cnc(-c3nnn[n-]3)cn2)C1)C1CCCC1 ZINC001573615163 947599912 /nfs/dbraw/zinc/59/99/12/947599912.db2.gz IFJWQSBDRUXMPC-KBPBESRZSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CN(C)c2cnc(-c3nn[n-]n3)cn2)C1)C1CCCC1 ZINC001573615163 947599929 /nfs/dbraw/zinc/59/99/29/947599929.db2.gz IFJWQSBDRUXMPC-KBPBESRZSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1)C(C)(F)F ZINC001573615720 947610066 /nfs/dbraw/zinc/61/00/66/947610066.db2.gz JXMXZZRXMBBRRQ-MNOVXSKESA-N -1 1 380.403 1.233 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1)C(C)(F)F ZINC001573615720 947610073 /nfs/dbraw/zinc/61/00/73/947610073.db2.gz JXMXZZRXMBBRRQ-MNOVXSKESA-N -1 1 380.403 1.233 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001573616185 947619842 /nfs/dbraw/zinc/61/98/42/947619842.db2.gz VRDDMQJXEDHDOH-GARJFASQSA-N -1 1 378.387 1.128 20 0 GDADMM C[C@@H](C(=O)N1CCC(N(C)c2ccc(-c3nn[n-]n3)nn2)CC1)C(C)(F)F ZINC001573616551 947624077 /nfs/dbraw/zinc/62/40/77/947624077.db2.gz JHWNJDLIONVWLS-JTQLQIEISA-N -1 1 380.403 1.375 20 0 GDADMM C[C@@H](C(=O)N1CCC(N(C)c2ccc(-c3nnn[n-]3)nn2)CC1)C(C)(F)F ZINC001573616551 947624070 /nfs/dbraw/zinc/62/40/70/947624070.db2.gz JHWNJDLIONVWLS-JTQLQIEISA-N -1 1 380.403 1.375 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@H]2CCN(c3cc(-c4nnn[n-]4)nc(CC)n3)C2)cc1 ZINC001573354552 947634383 /nfs/dbraw/zinc/63/43/83/947634383.db2.gz CRAUKVXISLTIKB-OAHLLOKOSA-N -1 1 390.451 1.871 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@H]2CCN(c3cc(-c4nn[n-]n4)nc(CC)n3)C2)cc1 ZINC001573354552 947634385 /nfs/dbraw/zinc/63/43/85/947634385.db2.gz CRAUKVXISLTIKB-OAHLLOKOSA-N -1 1 390.451 1.871 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)cc1 ZINC001573354770 947636331 /nfs/dbraw/zinc/63/63/31/947636331.db2.gz HKJJRBFLJKEOSV-CQSZACIVSA-N -1 1 376.424 1.556 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)cc1 ZINC001573354770 947636336 /nfs/dbraw/zinc/63/63/36/947636336.db2.gz HKJJRBFLJKEOSV-CQSZACIVSA-N -1 1 376.424 1.556 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CN(C)c2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001573618297 947647540 /nfs/dbraw/zinc/64/75/40/947647540.db2.gz RONMTSFWOSRGPU-KGLIPLIRSA-N -1 1 381.444 1.004 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CN(C)c2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001573618297 947647549 /nfs/dbraw/zinc/64/75/49/947647549.db2.gz RONMTSFWOSRGPU-KGLIPLIRSA-N -1 1 381.444 1.004 20 0 GDADMM COc1ccccc1N1CC[C@@H](CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)C1 ZINC000826220570 947654487 /nfs/dbraw/zinc/65/44/87/947654487.db2.gz RUIBBVGYNKJLES-ZDUSSCGKSA-N -1 1 397.439 1.357 20 0 GDADMM COc1ccccc1N1CC[C@@H](CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)C1 ZINC000826220570 947654490 /nfs/dbraw/zinc/65/44/90/947654490.db2.gz RUIBBVGYNKJLES-ZDUSSCGKSA-N -1 1 397.439 1.357 20 0 GDADMM CC(C(=O)N1CC[C@H](CN(C)c2cncc(-c3nnn[n-]3)n2)C1)=C1CCCC1 ZINC001573618946 947658157 /nfs/dbraw/zinc/65/81/57/947658157.db2.gz UDAWWGOIUOMRDR-CQSZACIVSA-N -1 1 382.472 1.832 20 0 GDADMM CC(C(=O)N1CC[C@H](CN(C)c2cncc(-c3nn[n-]n3)n2)C1)=C1CCCC1 ZINC001573618946 947658164 /nfs/dbraw/zinc/65/81/64/947658164.db2.gz UDAWWGOIUOMRDR-CQSZACIVSA-N -1 1 382.472 1.832 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1)c1ccsc1 ZINC001573619675 947669679 /nfs/dbraw/zinc/66/96/79/947669679.db2.gz XEHAASSJMMUDRF-DGCLKSJQSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1)c1ccsc1 ZINC001573619675 947669693 /nfs/dbraw/zinc/66/96/93/947669693.db2.gz XEHAASSJMMUDRF-DGCLKSJQSA-N -1 1 384.469 1.559 20 0 GDADMM C=Cc1ccc(C(=O)NCCN(c2cncc(-c3nnn[n-]3)n2)C2CC2)cc1 ZINC001573358848 947671885 /nfs/dbraw/zinc/67/18/85/947671885.db2.gz JKOOFELDYPXMPX-UHFFFAOYSA-N -1 1 376.424 1.699 20 0 GDADMM C=Cc1ccc(C(=O)NCCN(c2cncc(-c3nn[n-]n3)n2)C2CC2)cc1 ZINC001573358848 947671897 /nfs/dbraw/zinc/67/18/97/947671897.db2.gz JKOOFELDYPXMPX-UHFFFAOYSA-N -1 1 376.424 1.699 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cccc(F)c1 ZINC001573625989 947706280 /nfs/dbraw/zinc/70/62/80/947706280.db2.gz RDVBNINXHBYFAC-FZMZJTMJSA-N -1 1 382.403 1.612 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cccc(F)c1 ZINC001573625989 947706291 /nfs/dbraw/zinc/70/62/91/947706291.db2.gz RDVBNINXHBYFAC-FZMZJTMJSA-N -1 1 382.403 1.612 20 0 GDADMM CC(C(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)=C1CCCC1 ZINC001573627329 947719012 /nfs/dbraw/zinc/71/90/12/947719012.db2.gz AAOYQZVAZGFJOG-OAHLLOKOSA-N -1 1 382.472 1.762 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ccccc1F ZINC001573627176 947719881 /nfs/dbraw/zinc/71/98/81/947719881.db2.gz ZXGDUZFHJLGQTQ-RYUDHWBXSA-N -1 1 382.403 1.612 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ccccc1F ZINC001573627176 947719887 /nfs/dbraw/zinc/71/98/87/947719887.db2.gz ZXGDUZFHJLGQTQ-RYUDHWBXSA-N -1 1 382.403 1.612 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](CNc2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001573627536 947726718 /nfs/dbraw/zinc/72/67/18/947726718.db2.gz ACNUOPLSYXGEJZ-CHWSQXEVSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](CNc2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001573627536 947726730 /nfs/dbraw/zinc/72/67/30/947726730.db2.gz ACNUOPLSYXGEJZ-CHWSQXEVSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)c1ccco1 ZINC001573627731 947731796 /nfs/dbraw/zinc/73/17/96/947731796.db2.gz BFHAFHFUMIXYMY-STQMWFEESA-N -1 1 382.428 1.704 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)c1ccco1 ZINC001573627731 947731802 /nfs/dbraw/zinc/73/18/02/947731802.db2.gz BFHAFHFUMIXYMY-STQMWFEESA-N -1 1 382.428 1.704 20 0 GDADMM C/C(=C/C(=O)N1C[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1)C1CC1 ZINC001573366340 947740090 /nfs/dbraw/zinc/74/00/90/947740090.db2.gz VRAYEBABSSXVCO-DHDOUQCBSA-N -1 1 380.456 1.298 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cccs1 ZINC001573628001 947742741 /nfs/dbraw/zinc/74/27/41/947742741.db2.gz DYARCSNWXCWCSC-NWDGAFQWSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cccs1 ZINC001573628001 947742744 /nfs/dbraw/zinc/74/27/44/947742744.db2.gz DYARCSNWXCWCSC-NWDGAFQWSA-N -1 1 384.469 1.925 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(C(=O)N3CCCC3)cc2C)c1-c1nnn[n-]1 ZINC000826257655 947745166 /nfs/dbraw/zinc/74/51/66/947745166.db2.gz KVUHJJVCFQYCNZ-UHFFFAOYSA-N -1 1 395.423 1.889 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(C(=O)N3CCCC3)cc2C)c1-c1nn[n-]n1 ZINC000826257655 947745170 /nfs/dbraw/zinc/74/51/70/947745170.db2.gz KVUHJJVCFQYCNZ-UHFFFAOYSA-N -1 1 395.423 1.889 20 0 GDADMM C[C@@H](C(=O)N1CCC2(C1)CCN(c1cncc(-c3nnn[n-]3)n1)CC2)C1CC1 ZINC001573628170 947747491 /nfs/dbraw/zinc/74/74/91/947747491.db2.gz FWHJVACAHFXAMO-CYBMUJFWSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H](C(=O)N1CCC2(C1)CCN(c1cncc(-c3nn[n-]n3)n1)CC2)C1CC1 ZINC001573628170 947747496 /nfs/dbraw/zinc/74/74/96/947747496.db2.gz FWHJVACAHFXAMO-CYBMUJFWSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC001573628286 947750914 /nfs/dbraw/zinc/75/09/14/947750914.db2.gz KFSMDTSOHSJMMG-QWHCGFSZSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC001573628286 947750922 /nfs/dbraw/zinc/75/09/22/947750922.db2.gz KFSMDTSOHSJMMG-QWHCGFSZSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573628552 947760579 /nfs/dbraw/zinc/76/05/79/947760579.db2.gz MTCTZDIBXXOWHW-UKRRQHHQSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573628552 947760583 /nfs/dbraw/zinc/76/05/83/947760583.db2.gz MTCTZDIBXXOWHW-UKRRQHHQSA-N -1 1 384.488 1.910 20 0 GDADMM CC(=O)CCCC(=O)N(C)C[C@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573367719 947762971 /nfs/dbraw/zinc/76/29/71/947762971.db2.gz GROOQOHRRWFWQI-QMMMGPOBSA-N -1 1 385.881 1.995 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1)C1CC1 ZINC001573629024 947769838 /nfs/dbraw/zinc/76/98/38/947769838.db2.gz QDSLHBVAKTZLKS-YJYMSZOUSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1)C1CC1 ZINC001573629024 947769840 /nfs/dbraw/zinc/76/98/40/947769840.db2.gz QDSLHBVAKTZLKS-YJYMSZOUSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573629637 947782352 /nfs/dbraw/zinc/78/23/52/947782352.db2.gz OTAAJWXMZPFFTN-UONOGXRCSA-N -1 1 384.488 1.555 20 0 GDADMM CC(=O)CCCC(=O)N1CCC(Nc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573372955 947785783 /nfs/dbraw/zinc/78/57/83/947785783.db2.gz GJFXXUNIEXLHMT-UHFFFAOYSA-N -1 1 377.474 1.794 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1)n1cccc1 ZINC001573630276 947791385 /nfs/dbraw/zinc/79/13/85/947791385.db2.gz XMHCDIRBKSYICB-UONOGXRCSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1)n1cccc1 ZINC001573630276 947791392 /nfs/dbraw/zinc/79/13/92/947791392.db2.gz XMHCDIRBKSYICB-UONOGXRCSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1)C(C)(C)C ZINC001573630774 947794470 /nfs/dbraw/zinc/79/44/70/947794470.db2.gz SCZPHNCXXKVBEP-ORAYPTAESA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1)C(C)(C)C ZINC001573630774 947794482 /nfs/dbraw/zinc/79/44/82/947794482.db2.gz SCZPHNCXXKVBEP-ORAYPTAESA-N -1 1 384.488 1.768 20 0 GDADMM CC(=O)CCCC(=O)N[C@H](CNc1nc(C)cc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001573373595 947794615 /nfs/dbraw/zinc/79/46/15/947794615.db2.gz FBAWYAPMEPXAND-CQSZACIVSA-N -1 1 388.476 1.667 20 0 GDADMM CC(=O)CCCC(=O)N[C@H](CNc1nc(C)cc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573373595 947794623 /nfs/dbraw/zinc/79/46/23/947794623.db2.gz FBAWYAPMEPXAND-CQSZACIVSA-N -1 1 388.476 1.667 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573374646 947812154 /nfs/dbraw/zinc/81/21/54/947812154.db2.gz OVLXAKAABOPTLW-AWEZNQCLSA-N -1 1 386.460 1.457 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573374646 947812160 /nfs/dbraw/zinc/81/21/60/947812160.db2.gz OVLXAKAABOPTLW-AWEZNQCLSA-N -1 1 386.460 1.457 20 0 GDADMM CC(=O)CCCC(=O)N[C@@]12CCC[C@@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001573375138 947816413 /nfs/dbraw/zinc/81/64/13/947816413.db2.gz MJHCCZICBXQUTL-KBXCAEBGSA-N -1 1 384.444 1.034 20 0 GDADMM CC(=O)CCCC(=O)N[C@@]12CCC[C@@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001573375138 947816418 /nfs/dbraw/zinc/81/64/18/947816418.db2.gz MJHCCZICBXQUTL-KBXCAEBGSA-N -1 1 384.444 1.034 20 0 GDADMM CC(=O)CCCC(=O)N1CCCCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573375102 947816598 /nfs/dbraw/zinc/81/65/98/947816598.db2.gz QTWFVGCSZYEKMF-AWEZNQCLSA-N -1 1 386.460 1.599 20 0 GDADMM CC(=O)CCCC(=O)N1CCCCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573375102 947816603 /nfs/dbraw/zinc/81/66/03/947816603.db2.gz QTWFVGCSZYEKMF-AWEZNQCLSA-N -1 1 386.460 1.599 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001573375552 947820544 /nfs/dbraw/zinc/82/05/44/947820544.db2.gz RVJVKGCWCHCVQD-JSGCOSHPSA-N -1 1 386.460 1.313 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001573375552 947820556 /nfs/dbraw/zinc/82/05/56/947820556.db2.gz RVJVKGCWCHCVQD-JSGCOSHPSA-N -1 1 386.460 1.313 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CC[C@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573376513 947839162 /nfs/dbraw/zinc/83/91/62/947839162.db2.gz WFJPAORYYZXTIE-UONOGXRCSA-N -1 1 386.460 1.421 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CC[C@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573376513 947839167 /nfs/dbraw/zinc/83/91/67/947839167.db2.gz WFJPAORYYZXTIE-UONOGXRCSA-N -1 1 386.460 1.421 20 0 GDADMM C[C@H](C(=O)N1CC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)c1ccco1 ZINC001573645764 947869974 /nfs/dbraw/zinc/86/99/74/947869974.db2.gz AMHSQLJRCUEDOA-SGMGOOAPSA-N -1 1 380.412 1.091 20 0 GDADMM C[C@H](C(=O)N1CC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)c1ccco1 ZINC001573645764 947869982 /nfs/dbraw/zinc/86/99/82/947869982.db2.gz AMHSQLJRCUEDOA-SGMGOOAPSA-N -1 1 380.412 1.091 20 0 GDADMM C[C@H](C(=O)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)c1ccco1 ZINC001573645968 947871308 /nfs/dbraw/zinc/87/13/08/947871308.db2.gz FFGGZBNPYPFAIA-SGMGOOAPSA-N -1 1 380.412 1.091 20 0 GDADMM C[C@H](C(=O)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)c1ccco1 ZINC001573645968 947871313 /nfs/dbraw/zinc/87/13/13/947871313.db2.gz FFGGZBNPYPFAIA-SGMGOOAPSA-N -1 1 380.412 1.091 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](C)[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1)n1cccn1 ZINC001573647120 947884278 /nfs/dbraw/zinc/88/42/78/947884278.db2.gz COMJQPQVULJWJT-MGPQQGTHSA-N -1 1 396.459 1.011 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](C)[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1)n1cccn1 ZINC001573647120 947884290 /nfs/dbraw/zinc/88/42/90/947884290.db2.gz COMJQPQVULJWJT-MGPQQGTHSA-N -1 1 396.459 1.011 20 0 GDADMM CC(=O)CCCC(=O)NCCN(c1snc(C)c1-c1nn[n-]n1)C1CC1 ZINC001573382541 947886673 /nfs/dbraw/zinc/88/66/73/947886673.db2.gz IHDZVNQDKCDVOD-UHFFFAOYSA-N -1 1 377.474 1.476 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)[C@H](C)C1)n1cccc1 ZINC001573647425 947895156 /nfs/dbraw/zinc/89/51/56/947895156.db2.gz KTMNJJHELOAHFB-HZSPNIEDSA-N -1 1 381.444 1.226 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)[C@H](C)C1)n1cccc1 ZINC001573647425 947895165 /nfs/dbraw/zinc/89/51/65/947895165.db2.gz KTMNJJHELOAHFB-HZSPNIEDSA-N -1 1 381.444 1.226 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1)C(C)(C)C ZINC001573650766 947914160 /nfs/dbraw/zinc/91/41/60/947914160.db2.gz DYHHWSQRXDAXBH-MJBXVCDLSA-N -1 1 384.488 1.624 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1)C(C)(C)C ZINC001573650766 947914166 /nfs/dbraw/zinc/91/41/66/947914166.db2.gz DYHHWSQRXDAXBH-MJBXVCDLSA-N -1 1 384.488 1.624 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C(C)(C)C)C(F)(F)F ZINC001573652094 947928908 /nfs/dbraw/zinc/92/89/08/947928908.db2.gz AVJWLOPWEUQFPK-WPRPVWTQSA-N -1 1 386.382 1.798 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C(C)(C)C)C(F)(F)F ZINC001573652094 947928911 /nfs/dbraw/zinc/92/89/11/947928911.db2.gz AVJWLOPWEUQFPK-WPRPVWTQSA-N -1 1 386.382 1.798 20 0 GDADMM C[C@H](C(=O)N[C@@](C)(CNc1nccnc1-c1nnn[n-]1)C1CC1)c1ccco1 ZINC001573652267 947933885 /nfs/dbraw/zinc/93/38/85/947933885.db2.gz BZJSWIWUBZBUAD-VOJFVSQTSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](C(=O)N[C@@](C)(CNc1nccnc1-c1nn[n-]n1)C1CC1)c1ccco1 ZINC001573652267 947933894 /nfs/dbraw/zinc/93/38/94/947933894.db2.gz BZJSWIWUBZBUAD-VOJFVSQTSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](C(=O)N[C@](C)(CNc1cncc(-c2nnn[n-]2)n1)C1CC1)n1cccc1 ZINC001573652583 947942013 /nfs/dbraw/zinc/94/20/13/947942013.db2.gz DWGVHKKIMMOGNO-KZULUSFZSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](C(=O)N[C@](C)(CNc1cncc(-c2nn[n-]n2)n1)C1CC1)n1cccc1 ZINC001573652583 947942024 /nfs/dbraw/zinc/94/20/24/947942024.db2.gz DWGVHKKIMMOGNO-KZULUSFZSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1ccsc1 ZINC001573652866 947949676 /nfs/dbraw/zinc/94/96/76/947949676.db2.gz HSUPORXCZCWWHH-GWCFXTLKSA-N -1 1 384.469 1.251 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C(C)(C)C)n1cccn1 ZINC001573653276 947955924 /nfs/dbraw/zinc/95/59/24/947955924.db2.gz KHRPXMOEXMXAGG-WCQYABFASA-N -1 1 384.448 1.057 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C(C)(C)C)n1cccn1 ZINC001573653276 947955934 /nfs/dbraw/zinc/95/59/34/947955934.db2.gz KHRPXMOEXMXAGG-WCQYABFASA-N -1 1 384.448 1.057 20 0 GDADMM Cc1nnc(C(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)s1 ZINC000826335148 947969636 /nfs/dbraw/zinc/96/96/36/947969636.db2.gz ATBRKUQJNUDPOV-UHFFFAOYSA-N -1 1 384.469 1.375 20 0 GDADMM Cc1onc(CC(=O)N(C)[C@@H]2CCCN(c3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826342860 947983728 /nfs/dbraw/zinc/98/37/28/947983728.db2.gz CKZKVVXIBCITID-OAHLLOKOSA-N -1 1 381.440 1.833 20 0 GDADMM Cc1onc(CC(=O)N(C)[C@@H]2CCCN(c3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826342860 947983733 /nfs/dbraw/zinc/98/37/33/947983733.db2.gz CKZKVVXIBCITID-OAHLLOKOSA-N -1 1 381.440 1.833 20 0 GDADMM C[C@H](C(=O)N[C@@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1)c1cccs1 ZINC001573658158 948006818 /nfs/dbraw/zinc/00/68/18/948006818.db2.gz QRTFWZFUBMMUCI-GTNSWQLSSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)N[C@@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1)c1cccs1 ZINC001573658158 948006824 /nfs/dbraw/zinc/00/68/24/948006824.db2.gz QRTFWZFUBMMUCI-GTNSWQLSSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2)C(C)(F)F ZINC001573662833 948029023 /nfs/dbraw/zinc/02/90/23/948029023.db2.gz HFOYGTTZMDRMGU-JQWIXIFHSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2)C(C)(F)F ZINC001573662833 948029032 /nfs/dbraw/zinc/02/90/32/948029032.db2.gz HFOYGTTZMDRMGU-JQWIXIFHSA-N -1 1 392.414 1.423 20 0 GDADMM Cc1onc(CC(=O)NC(C)(C)c2cn(-c3ccccc3)nn2)c1-c1nnn[n-]1 ZINC000826345939 948032541 /nfs/dbraw/zinc/03/25/41/948032541.db2.gz YTAZBIJQBYNBFE-UHFFFAOYSA-N -1 1 393.411 1.338 20 0 GDADMM Cc1onc(CC(=O)NC(C)(C)c2cn(-c3ccccc3)nn2)c1-c1nn[n-]n1 ZINC000826345939 948032551 /nfs/dbraw/zinc/03/25/51/948032551.db2.gz YTAZBIJQBYNBFE-UHFFFAOYSA-N -1 1 393.411 1.338 20 0 GDADMM Cc1onc(CC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)c1-c1nnn[n-]1 ZINC000826346165 948035707 /nfs/dbraw/zinc/03/57/07/948035707.db2.gz FELPMVLJAMCBGY-CQSZACIVSA-N -1 1 395.423 1.013 20 0 GDADMM Cc1onc(CC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)c1-c1nn[n-]n1 ZINC000826346165 948035714 /nfs/dbraw/zinc/03/57/14/948035714.db2.gz FELPMVLJAMCBGY-CQSZACIVSA-N -1 1 395.423 1.013 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2)C(C)(C)C ZINC001573663737 948039157 /nfs/dbraw/zinc/03/91/57/948039157.db2.gz PFZZQSRGZKAXRW-GXTWGEPZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2)C(C)(C)C ZINC001573663737 948039166 /nfs/dbraw/zinc/03/91/66/948039166.db2.gz PFZZQSRGZKAXRW-GXTWGEPZSA-N -1 1 384.488 1.814 20 0 GDADMM Cc1onc(CC(=O)NCCOc2ccc(C(F)(F)F)cc2)c1-c1nnn[n-]1 ZINC000826347313 948054292 /nfs/dbraw/zinc/05/42/92/948054292.db2.gz MPWHPCAALZOBPK-UHFFFAOYSA-N -1 1 396.329 1.920 20 0 GDADMM Cc1onc(CC(=O)NCCOc2ccc(C(F)(F)F)cc2)c1-c1nn[n-]n1 ZINC000826347313 948054300 /nfs/dbraw/zinc/05/43/00/948054300.db2.gz MPWHPCAALZOBPK-UHFFFAOYSA-N -1 1 396.329 1.920 20 0 GDADMM Cc1onc(CC(=O)NCc2cccnc2OCC(F)(F)F)c1-c1nnn[n-]1 ZINC000826348072 948066479 /nfs/dbraw/zinc/06/64/79/948066479.db2.gz SKLSCZDBNZJKBT-UHFFFAOYSA-N -1 1 397.317 1.358 20 0 GDADMM Cc1onc(CC(=O)NCc2cccnc2OCC(F)(F)F)c1-c1nn[n-]n1 ZINC000826348072 948066489 /nfs/dbraw/zinc/06/64/89/948066489.db2.gz SKLSCZDBNZJKBT-UHFFFAOYSA-N -1 1 397.317 1.358 20 0 GDADMM C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1)C(C)(F)F ZINC001573665230 948069947 /nfs/dbraw/zinc/06/99/47/948069947.db2.gz JDMFPEVQFKEVEH-WAAKLRNESA-N -1 1 392.414 1.564 20 0 GDADMM C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1)C(C)(F)F ZINC001573665230 948069958 /nfs/dbraw/zinc/06/99/58/948069958.db2.gz JDMFPEVQFKEVEH-WAAKLRNESA-N -1 1 392.414 1.564 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C(F)(F)F ZINC001573665813 948076717 /nfs/dbraw/zinc/07/67/17/948076717.db2.gz NJKJGVHZLJGSAR-UWVGGRQHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C(F)(F)F ZINC001573665813 948076727 /nfs/dbraw/zinc/07/67/27/948076727.db2.gz NJKJGVHZLJGSAR-UWVGGRQHSA-N -1 1 384.366 1.330 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(NC(=O)NC3CC3)cc2)c1-c1nnn[n-]1 ZINC000826348606 948077545 /nfs/dbraw/zinc/07/75/45/948077545.db2.gz VDPRVBFWYOZOLC-UHFFFAOYSA-N -1 1 382.384 1.628 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(NC(=O)NC3CC3)cc2)c1-c1nn[n-]n1 ZINC000826348606 948077553 /nfs/dbraw/zinc/07/75/53/948077553.db2.gz VDPRVBFWYOZOLC-UHFFFAOYSA-N -1 1 382.384 1.628 20 0 GDADMM CC(C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)=C1CCC1 ZINC001573666245 948083627 /nfs/dbraw/zinc/08/36/27/948083627.db2.gz RMKCVILTTHIDQZ-GOOCMWNKSA-N -1 1 380.456 1.773 20 0 GDADMM CC(C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)=C1CCC1 ZINC001573666245 948083638 /nfs/dbraw/zinc/08/36/38/948083638.db2.gz RMKCVILTTHIDQZ-GOOCMWNKSA-N -1 1 380.456 1.773 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cccs1 ZINC001573666235 948085181 /nfs/dbraw/zinc/08/51/81/948085181.db2.gz RIKMFWXYGHJUMT-RYUDHWBXSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573666235 948085188 /nfs/dbraw/zinc/08/51/88/948085188.db2.gz RIKMFWXYGHJUMT-RYUDHWBXSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C1CCCC1 ZINC001573667317 948097428 /nfs/dbraw/zinc/09/74/28/948097428.db2.gz YYKXKLIYBKLUQM-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cccc(F)c1 ZINC001573677213 948132049 /nfs/dbraw/zinc/13/20/49/948132049.db2.gz WSXJOXLSNNWFLH-SMDDNHRTSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cccc(F)c1 ZINC001573677213 948132053 /nfs/dbraw/zinc/13/20/53/948132053.db2.gz WSXJOXLSNNWFLH-SMDDNHRTSA-N -1 1 382.403 1.294 20 0 GDADMM Cn1ccnc1CN1CCC[C@@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)C1=O ZINC000826363965 948140377 /nfs/dbraw/zinc/14/03/77/948140377.db2.gz HCOWZFPRMFKXFV-LLVKDONJSA-N -1 1 387.835 1.252 20 0 GDADMM Cn1ccnc1CN1CCC[C@@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)C1=O ZINC000826363965 948140381 /nfs/dbraw/zinc/14/03/81/948140381.db2.gz HCOWZFPRMFKXFV-LLVKDONJSA-N -1 1 387.835 1.252 20 0 GDADMM C[C@H](CNC(=O)[C@@H](C)c1ccccc1F)N(C)c1nccnc1-c1nnn[n-]1 ZINC001573679632 948164027 /nfs/dbraw/zinc/16/40/27/948164027.db2.gz MFZUKBIFNFCYES-NEPJUHHUSA-N -1 1 384.419 1.540 20 0 GDADMM C[C@H](CNC(=O)[C@@H](C)c1ccccc1F)N(C)c1nccnc1-c1nn[n-]n1 ZINC001573679632 948164029 /nfs/dbraw/zinc/16/40/29/948164029.db2.gz MFZUKBIFNFCYES-NEPJUHHUSA-N -1 1 384.419 1.540 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C)c1ccco1 ZINC001573680717 948186698 /nfs/dbraw/zinc/18/66/98/948186698.db2.gz RJNRCGDCKPZUIK-BXUZGUMPSA-N -1 1 382.428 1.384 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C)c1ccco1 ZINC001573680717 948186700 /nfs/dbraw/zinc/18/67/00/948186700.db2.gz RJNRCGDCKPZUIK-BXUZGUMPSA-N -1 1 382.428 1.384 20 0 GDADMM C[C@H](C(=O)NC[C@H](Nc1nccnc1-c1nnn[n-]1)C1CC1)c1cccs1 ZINC001573680831 948190015 /nfs/dbraw/zinc/19/00/15/948190015.db2.gz QMCIYORDKHHXEL-JQWIXIFHSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NC[C@H](Nc1nccnc1-c1nn[n-]n1)C1CC1)c1cccs1 ZINC001573680831 948190018 /nfs/dbraw/zinc/19/00/18/948190018.db2.gz QMCIYORDKHHXEL-JQWIXIFHSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NC[C@H](O)CNc1snc(Cl)c1-c1nnn[n-]1)C(C)(C)C ZINC001573692661 948269346 /nfs/dbraw/zinc/26/93/46/948269346.db2.gz QFIHAQBNLOIWRW-SFYZADRCSA-N -1 1 387.897 1.548 20 0 GDADMM C[C@H](C(=O)NC[C@H](O)CNc1snc(Cl)c1-c1nn[n-]n1)C(C)(C)C ZINC001573692661 948269352 /nfs/dbraw/zinc/26/93/52/948269352.db2.gz QFIHAQBNLOIWRW-SFYZADRCSA-N -1 1 387.897 1.548 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000826424958 948275097 /nfs/dbraw/zinc/27/50/97/948275097.db2.gz KDLBLRZDEWANKM-CYBMUJFWSA-N -1 1 392.345 1.745 20 0 GDADMM C[C@@H](C(=O)NCC1=CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)c1cccnc1 ZINC001573693685 948284434 /nfs/dbraw/zinc/28/44/34/948284434.db2.gz ATAPZZYUYJVMCT-CYBMUJFWSA-N -1 1 391.439 1.108 20 0 GDADMM C[C@@H](C(=O)NCC1=CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)c1cccnc1 ZINC001573693685 948284440 /nfs/dbraw/zinc/28/44/40/948284440.db2.gz ATAPZZYUYJVMCT-CYBMUJFWSA-N -1 1 391.439 1.108 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCCC1)[C@@H]1CCCO1 ZINC001573696533 948328943 /nfs/dbraw/zinc/32/89/43/948328943.db2.gz RTZSNVAWOZDNKB-OLZOCXBDSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCCC1)[C@@H]1CCCO1 ZINC001573696533 948328954 /nfs/dbraw/zinc/32/89/54/948328954.db2.gz RTZSNVAWOZDNKB-OLZOCXBDSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)c1cccs1 ZINC001573701893 948340958 /nfs/dbraw/zinc/34/09/58/948340958.db2.gz BNODVMNAJHGYDD-NEPJUHHUSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)c1cccs1 ZINC001573701893 948340972 /nfs/dbraw/zinc/34/09/72/948340972.db2.gz BNODVMNAJHGYDD-NEPJUHHUSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCCN1c1nccnc1-c1nnn[n-]1)C(F)(F)F ZINC001573702857 948349837 /nfs/dbraw/zinc/34/98/37/948349837.db2.gz GNSQNJDWDCRYIF-UWVGGRQHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCCN1c1nccnc1-c1nn[n-]n1)C(F)(F)F ZINC001573702857 948349840 /nfs/dbraw/zinc/34/98/40/948349840.db2.gz GNSQNJDWDCRYIF-UWVGGRQHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001573704453 948373557 /nfs/dbraw/zinc/37/35/57/948373557.db2.gz SMQRLMRGTQOMGK-ZJUUUORDSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001573704453 948373563 /nfs/dbraw/zinc/37/35/63/948373563.db2.gz SMQRLMRGTQOMGK-ZJUUUORDSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@H](C(=O)NCCC1(CNc2cncc(-c3nnn[n-]3)n2)CC1)[C@H]1CCCO1 ZINC001573704977 948386742 /nfs/dbraw/zinc/38/67/42/948386742.db2.gz CFAYHNBOFVENHF-TZMCWYRMSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](C(=O)NCCC1(CNc2cncc(-c3nn[n-]n3)n2)CC1)[C@H]1CCCO1 ZINC001573704977 948386747 /nfs/dbraw/zinc/38/67/47/948386747.db2.gz CFAYHNBOFVENHF-TZMCWYRMSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001573704927 948387082 /nfs/dbraw/zinc/38/70/82/948387082.db2.gz UVTZBHJPCVHDDU-KGLIPLIRSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001573704927 948387089 /nfs/dbraw/zinc/38/70/89/948387089.db2.gz UVTZBHJPCVHDDU-KGLIPLIRSA-N -1 1 381.444 1.052 20 0 GDADMM CC(=O)NCCN(Cc1ccc(C(=O)OCc2ccccc2)[nH]1)[C@H](C)C(=O)[O-] ZINC001602758284 971476335 /nfs/dbraw/zinc/47/63/35/971476335.db2.gz AZACPKXEISBZSJ-CQSZACIVSA-N -1 1 387.436 1.783 20 0 GDADMM C[C@@H](C(=O)NCC1CCN(c2nccnc2-c2nnn[n-]2)CC1)C(C)(F)F ZINC001573705563 948403674 /nfs/dbraw/zinc/40/36/74/948403674.db2.gz IJQPAMGMFHAQSM-JTQLQIEISA-N -1 1 380.403 1.281 20 0 GDADMM C[C@@H](C(=O)NCC1CCN(c2nccnc2-c2nn[n-]n2)CC1)C(C)(F)F ZINC001573705563 948403679 /nfs/dbraw/zinc/40/36/79/948403679.db2.gz IJQPAMGMFHAQSM-JTQLQIEISA-N -1 1 380.403 1.281 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCCN1c1nccnc1-c1nnn[n-]1)C(C)(F)F ZINC001573705703 948407385 /nfs/dbraw/zinc/40/73/85/948407385.db2.gz XPUNRJGODAEFAB-QWRGUYRKSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCCN1c1nccnc1-c1nn[n-]n1)C(C)(F)F ZINC001573705703 948407395 /nfs/dbraw/zinc/40/73/95/948407395.db2.gz XPUNRJGODAEFAB-QWRGUYRKSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](C(=O)NCCC1(CNc2cncc(-c3nnn[n-]3)n2)CC1)c1ccco1 ZINC001573707560 948435362 /nfs/dbraw/zinc/43/53/62/948435362.db2.gz OLPHFCOXDSKMCG-GFCCVEGCSA-N -1 1 382.428 1.752 20 0 GDADMM C[C@@H](C(=O)NCCC1(CNc2cncc(-c3nn[n-]n3)n2)CC1)c1ccco1 ZINC001573707560 948435367 /nfs/dbraw/zinc/43/53/67/948435367.db2.gz OLPHFCOXDSKMCG-GFCCVEGCSA-N -1 1 382.428 1.752 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCCO1)C(C)(C)C ZINC001573707859 948439706 /nfs/dbraw/zinc/43/97/06/948439706.db2.gz QEGQHAYJOHEDSG-OLZOCXBDSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCCO1)C(C)(C)C ZINC001573707859 948439709 /nfs/dbraw/zinc/43/97/09/948439709.db2.gz QEGQHAYJOHEDSG-OLZOCXBDSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1)C(C)(C)C ZINC001573708447 948450387 /nfs/dbraw/zinc/45/03/87/948450387.db2.gz UKWBANFNCGOAOQ-QWHCGFSZSA-N -1 1 392.529 1.927 20 0 GDADMM C[C@H](C(=O)NCCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C1CCC1 ZINC001573714717 948477270 /nfs/dbraw/zinc/47/72/70/948477270.db2.gz JDXOISKEGNAFHL-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1nccnc1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC001573717470 948507752 /nfs/dbraw/zinc/50/77/52/948507752.db2.gz CTFUGDTWWVPKBZ-LLVKDONJSA-N -1 1 386.847 1.666 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1nccnc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC001573717470 948507756 /nfs/dbraw/zinc/50/77/56/948507756.db2.gz CTFUGDTWWVPKBZ-LLVKDONJSA-N -1 1 386.847 1.666 20 0 GDADMM CC(C)[C@@H](CCNC(=O)[C@@H](C)c1ccco1)Nc1nccnc1-c1nnn[n-]1 ZINC001573717859 948512804 /nfs/dbraw/zinc/51/28/04/948512804.db2.gz NUJBFOFMDLBHSX-QWHCGFSZSA-N -1 1 384.444 1.996 20 0 GDADMM CC(C)[C@@H](CCNC(=O)[C@@H](C)c1ccco1)Nc1nccnc1-c1nn[n-]n1 ZINC001573717859 948512810 /nfs/dbraw/zinc/51/28/10/948512810.db2.gz NUJBFOFMDLBHSX-QWHCGFSZSA-N -1 1 384.444 1.996 20 0 GDADMM C[C@@H](C(=O)NCC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C)C1CCC1 ZINC001573718337 948516052 /nfs/dbraw/zinc/51/60/52/948516052.db2.gz QUAUAEDPVSJEFT-UMVBOHGHSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@@H](C(=O)NCC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C)C1CCC1 ZINC001573718337 948516058 /nfs/dbraw/zinc/51/60/58/948516058.db2.gz QUAUAEDPVSJEFT-UMVBOHGHSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)[C@@H](C)C(C)(C)C ZINC001573725527 948541236 /nfs/dbraw/zinc/54/12/36/948541236.db2.gz ADHROTUDKBCXLT-SYQHCUMBSA-N -1 1 386.504 1.704 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)C1CCCC1 ZINC001573725577 948543991 /nfs/dbraw/zinc/54/39/91/948543991.db2.gz BNBRELLKPILFAH-UMVBOHGHSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)C1CCCC1 ZINC001573725577 948543999 /nfs/dbraw/zinc/54/39/99/948543999.db2.gz BNBRELLKPILFAH-UMVBOHGHSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001573729492 948567044 /nfs/dbraw/zinc/56/70/44/948567044.db2.gz UFTLHOBBDRPARK-RJZRQDKASA-N -1 1 382.472 1.566 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001573729492 948567052 /nfs/dbraw/zinc/56/70/52/948567052.db2.gz UFTLHOBBDRPARK-RJZRQDKASA-N -1 1 382.472 1.566 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C)c1ccsc1 ZINC001573740160 948628991 /nfs/dbraw/zinc/62/89/91/948628991.db2.gz GEEKARSXEJJJFH-UHIISALHSA-N -1 1 384.469 1.463 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C)c1ccsc1 ZINC001573740160 948628994 /nfs/dbraw/zinc/62/89/94/948628994.db2.gz GEEKARSXEJJJFH-UHIISALHSA-N -1 1 384.469 1.463 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001573741129 948650551 /nfs/dbraw/zinc/65/05/51/948650551.db2.gz YDOZVLHGXPZIEK-SJQPAMGKSA-N -1 1 382.350 1.081 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001573741129 948650555 /nfs/dbraw/zinc/65/05/55/948650555.db2.gz YDOZVLHGXPZIEK-SJQPAMGKSA-N -1 1 382.350 1.081 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CC1)[C@H]1CCCO1 ZINC001573745622 948673830 /nfs/dbraw/zinc/67/38/30/948673830.db2.gz FUWLLTOAJCFNRJ-RGCMKSIDSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CC1)[C@H]1CCCO1 ZINC001573745622 948673836 /nfs/dbraw/zinc/67/38/36/948673836.db2.gz FUWLLTOAJCFNRJ-RGCMKSIDSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1F ZINC001573746097 948678872 /nfs/dbraw/zinc/67/88/72/948678872.db2.gz ITEFDCNHARWJPL-UTUOFQBUSA-N -1 1 382.403 1.659 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1F ZINC001573746097 948678876 /nfs/dbraw/zinc/67/88/76/948678876.db2.gz ITEFDCNHARWJPL-UTUOFQBUSA-N -1 1 382.403 1.659 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2nccnc2-c2nnn[n-]2)CC1)C(F)(F)F ZINC001573746936 948687780 /nfs/dbraw/zinc/68/77/80/948687780.db2.gz RNHKNNQHWMBJHA-OPRDCNLKSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2nccnc2-c2nn[n-]n2)CC1)C(F)(F)F ZINC001573746936 948687792 /nfs/dbraw/zinc/68/77/92/948687792.db2.gz RNHKNNQHWMBJHA-OPRDCNLKSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)c1ccsc1 ZINC001573749371 948700905 /nfs/dbraw/zinc/70/09/05/948700905.db2.gz ZBIPGINAVXFDOH-GVXVVHGQSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)c1ccsc1 ZINC001573749371 948700910 /nfs/dbraw/zinc/70/09/10/948700910.db2.gz ZBIPGINAVXFDOH-GVXVVHGQSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cccc(F)c1 ZINC001573752648 948716482 /nfs/dbraw/zinc/71/64/82/948716482.db2.gz PJALOUOZSCXMTF-BPNCWPANSA-N -1 1 382.403 1.659 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cccc(F)c1 ZINC001573752648 948716486 /nfs/dbraw/zinc/71/64/86/948716486.db2.gz PJALOUOZSCXMTF-BPNCWPANSA-N -1 1 382.403 1.659 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001573753389 948718134 /nfs/dbraw/zinc/71/81/34/948718134.db2.gz SRIDTBJXOCVFQX-REIXXSIJSA-N -1 1 382.350 1.081 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573753389 948718138 /nfs/dbraw/zinc/71/81/38/948718138.db2.gz SRIDTBJXOCVFQX-REIXXSIJSA-N -1 1 382.350 1.081 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1)C1CCCC1 ZINC001573753615 948719718 /nfs/dbraw/zinc/71/97/18/948719718.db2.gz WDJLIRJAFCQUFN-RZFFKMDDSA-N -1 1 382.472 1.709 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1)C1CCCC1 ZINC001573753615 948719720 /nfs/dbraw/zinc/71/97/20/948719720.db2.gz WDJLIRJAFCQUFN-RZFFKMDDSA-N -1 1 382.472 1.709 20 0 GDADMM CC(C)[C@@H](F)C(=O)N1CCC[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574075153 948744407 /nfs/dbraw/zinc/74/44/07/948744407.db2.gz VSOOPGGKCHSANA-IUODEOHRSA-N -1 1 376.440 1.691 20 0 GDADMM CC(C)[C@@H](F)C(=O)N1CCC[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574075153 948744413 /nfs/dbraw/zinc/74/44/13/948744413.db2.gz VSOOPGGKCHSANA-IUODEOHRSA-N -1 1 376.440 1.691 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cc(Cl)cs1 ZINC001574678440 948749347 /nfs/dbraw/zinc/74/93/47/948749347.db2.gz FTMQZLPZEOPVMF-QMMMGPOBSA-N -1 1 378.849 1.992 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cc(Cl)cs1 ZINC001574678440 948749350 /nfs/dbraw/zinc/74/93/50/948749350.db2.gz FTMQZLPZEOPVMF-QMMMGPOBSA-N -1 1 378.849 1.992 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@@H](C)[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)cn1 ZINC001574416499 948749488 /nfs/dbraw/zinc/74/94/88/948749488.db2.gz VPKYTGIAZSTZFN-RYUDHWBXSA-N -1 1 381.444 1.794 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@@H](C)[C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)cn1 ZINC001574416499 948749497 /nfs/dbraw/zinc/74/94/97/948749497.db2.gz VPKYTGIAZSTZFN-RYUDHWBXSA-N -1 1 381.444 1.794 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001575221817 948750977 /nfs/dbraw/zinc/75/09/77/948750977.db2.gz DHGBXRCESPAPGO-JTQLQIEISA-N -1 1 378.387 1.035 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001575221817 948750987 /nfs/dbraw/zinc/75/09/87/948750987.db2.gz DHGBXRCESPAPGO-JTQLQIEISA-N -1 1 378.387 1.035 20 0 GDADMM C[C@@H](CNC(=O)CCc1ccc(F)cc1)CNc1nccnc1-c1nnn[n-]1 ZINC001574914685 948754090 /nfs/dbraw/zinc/75/40/90/948754090.db2.gz MUMDAQHLYFMHGF-LBPRGKRZSA-N -1 1 384.419 1.593 20 0 GDADMM C[C@@H](CNC(=O)CCc1ccc(F)cc1)CNc1nccnc1-c1nn[n-]n1 ZINC001574914685 948754096 /nfs/dbraw/zinc/75/40/96/948754096.db2.gz MUMDAQHLYFMHGF-LBPRGKRZSA-N -1 1 384.419 1.593 20 0 GDADMM CC(C)c1cccc(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)nn3)CC2)n1 ZINC001574416748 948760467 /nfs/dbraw/zinc/76/04/67/948760467.db2.gz GDCHVJOSGQHAOG-UHFFFAOYSA-N -1 1 379.428 1.550 20 0 GDADMM CC(C)c1cccc(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)nn3)CC2)n1 ZINC001574416748 948760477 /nfs/dbraw/zinc/76/04/77/948760477.db2.gz GDCHVJOSGQHAOG-UHFFFAOYSA-N -1 1 379.428 1.550 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@@H](C)[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)n1 ZINC001574417045 948762671 /nfs/dbraw/zinc/76/26/71/948762671.db2.gz KBYCIVLOBVFCLY-RYUDHWBXSA-N -1 1 381.444 1.794 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@@H](C)[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)n1 ZINC001574417045 948762681 /nfs/dbraw/zinc/76/26/81/948762681.db2.gz KBYCIVLOBVFCLY-RYUDHWBXSA-N -1 1 381.444 1.794 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cccc2c1CCC2 ZINC001574679203 948771109 /nfs/dbraw/zinc/77/11/09/948771109.db2.gz QEXBLXKGVHDAJR-LBPRGKRZSA-N -1 1 378.440 1.766 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cccc2c1CCC2 ZINC001574679203 948771121 /nfs/dbraw/zinc/77/11/21/948771121.db2.gz QEXBLXKGVHDAJR-LBPRGKRZSA-N -1 1 378.440 1.766 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1c[nH]nc1C(C)(C)C ZINC001574679243 948773875 /nfs/dbraw/zinc/77/38/75/948773875.db2.gz QWVWQBRPNGLGKP-SNVBAGLBSA-N -1 1 384.448 1.298 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1c[nH]nc1C(C)(C)C ZINC001574679243 948773889 /nfs/dbraw/zinc/77/38/89/948773889.db2.gz QWVWQBRPNGLGKP-SNVBAGLBSA-N -1 1 384.448 1.298 20 0 GDADMM CC(F)(F)C1(C(=O)N2CC[C@@H](CCNc3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001575223965 948774282 /nfs/dbraw/zinc/77/42/82/948774282.db2.gz QXOQDJIQGQQQIZ-LLVKDONJSA-N -1 1 392.414 1.743 20 0 GDADMM CC(F)(F)C1(C(=O)N2CC[C@@H](CCNc3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575223965 948774292 /nfs/dbraw/zinc/77/42/92/948774292.db2.gz QXOQDJIQGQQQIZ-LLVKDONJSA-N -1 1 392.414 1.743 20 0 GDADMM CC(F)(F)C1(C(=O)NCCC2(CNc3ccnc(-c4nn[n-]n4)n3)CC2)CC1 ZINC001575224009 948778401 /nfs/dbraw/zinc/77/84/01/948778401.db2.gz SRLPNRFWTHDLFO-UHFFFAOYSA-N -1 1 392.414 1.212 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001575224332 948780963 /nfs/dbraw/zinc/78/09/63/948780963.db2.gz UCBDYNARNYFDFJ-MGCOHNPYSA-N -1 1 378.387 1.399 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001575224332 948780970 /nfs/dbraw/zinc/78/09/70/948780970.db2.gz UCBDYNARNYFDFJ-MGCOHNPYSA-N -1 1 378.387 1.399 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)C1(c2cccnc2)CC1 ZINC001574679441 948781216 /nfs/dbraw/zinc/78/12/16/948781216.db2.gz VHPNGFDVZXXYHS-LBPRGKRZSA-N -1 1 379.428 1.090 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)C1(c2cccnc2)CC1 ZINC001574679441 948781227 /nfs/dbraw/zinc/78/12/27/948781227.db2.gz VHPNGFDVZXXYHS-LBPRGKRZSA-N -1 1 379.428 1.090 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cccc2c1OCC2 ZINC001574679563 948789398 /nfs/dbraw/zinc/78/93/98/948789398.db2.gz YDAQTWUCMMAEGI-NSHDSACASA-N -1 1 380.412 1.212 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cccc2c1OCC2 ZINC001574679563 948789415 /nfs/dbraw/zinc/78/94/15/948789415.db2.gz YDAQTWUCMMAEGI-NSHDSACASA-N -1 1 380.412 1.212 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@H](C)CCNc2cnc(-c3nnn[n-]3)cn2)nc1 ZINC001574679644 948792275 /nfs/dbraw/zinc/79/22/75/948792275.db2.gz ZOHKXYIQOZJSHV-GFCCVEGCSA-N -1 1 381.444 1.796 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@H](C)CCNc2cnc(-c3nn[n-]n3)cn2)nc1 ZINC001574679644 948792284 /nfs/dbraw/zinc/79/22/84/948792284.db2.gz ZOHKXYIQOZJSHV-GFCCVEGCSA-N -1 1 381.444 1.796 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cc2c(s1)CCC2 ZINC001574679957 948795168 /nfs/dbraw/zinc/79/51/68/948795168.db2.gz CQZWTQRYDOHBDG-SNVBAGLBSA-N -1 1 384.469 1.827 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cc2c(s1)CCC2 ZINC001574679957 948795176 /nfs/dbraw/zinc/79/51/76/948795176.db2.gz CQZWTQRYDOHBDG-SNVBAGLBSA-N -1 1 384.469 1.827 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CCCC1 ZINC001575225096 948798121 /nfs/dbraw/zinc/79/81/21/948798121.db2.gz WGHJLHILRNYUDO-NSHDSACASA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CCCC1 ZINC001575225096 948798127 /nfs/dbraw/zinc/79/81/27/948798127.db2.gz WGHJLHILRNYUDO-NSHDSACASA-N -1 1 380.403 1.789 20 0 GDADMM CC(C)[C@H](F)C(=O)NCc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001574080808 948805515 /nfs/dbraw/zinc/80/55/15/948805515.db2.gz NTCYJESZWWJYJY-INIZCTEOSA-N -1 1 384.419 1.879 20 0 GDADMM CC(C)[C@H](F)C(=O)NCc1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001574080808 948805531 /nfs/dbraw/zinc/80/55/31/948805531.db2.gz NTCYJESZWWJYJY-INIZCTEOSA-N -1 1 384.419 1.879 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCCc1cccnc1 ZINC001574680904 948809156 /nfs/dbraw/zinc/80/91/56/948809156.db2.gz JVCVCIMJDISHLR-ZDUSSCGKSA-N -1 1 381.444 1.381 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCCc1cccnc1 ZINC001574680904 948809173 /nfs/dbraw/zinc/80/91/73/948809173.db2.gz JVCVCIMJDISHLR-ZDUSSCGKSA-N -1 1 381.444 1.381 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001574681320 948812056 /nfs/dbraw/zinc/81/20/56/948812056.db2.gz LJTMLYFHLSXLLI-JTQLQIEISA-N -1 1 384.448 1.298 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001574681320 948812075 /nfs/dbraw/zinc/81/20/75/948812075.db2.gz LJTMLYFHLSXLLI-JTQLQIEISA-N -1 1 384.448 1.298 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cc1cccc(F)c1F ZINC001574681315 948815233 /nfs/dbraw/zinc/81/52/33/948815233.db2.gz LHSCELNBKUVMOS-SNVBAGLBSA-N -1 1 388.382 1.484 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cc1cccc(F)c1F ZINC001574681315 948815250 /nfs/dbraw/zinc/81/52/50/948815250.db2.gz LHSCELNBKUVMOS-SNVBAGLBSA-N -1 1 388.382 1.484 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@H]2[C@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001575226223 948815535 /nfs/dbraw/zinc/81/55/35/948815535.db2.gz JJKRYXFSKAATLJ-NWDGAFQWSA-N -1 1 378.387 1.272 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@H]2[C@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001575226223 948815551 /nfs/dbraw/zinc/81/55/51/948815551.db2.gz JJKRYXFSKAATLJ-NWDGAFQWSA-N -1 1 378.387 1.272 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cccc2c1CCC2 ZINC001574681867 948822322 /nfs/dbraw/zinc/82/23/22/948822322.db2.gz OLKBRKOCVHUGKP-GFCCVEGCSA-N -1 1 378.440 1.766 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cccc2c1CCC2 ZINC001574681867 948822330 /nfs/dbraw/zinc/82/23/30/948822330.db2.gz OLKBRKOCVHUGKP-GFCCVEGCSA-N -1 1 378.440 1.766 20 0 GDADMM C[C@H](CNC(=O)CCCc1ccccn1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574917760 948822493 /nfs/dbraw/zinc/82/24/93/948822493.db2.gz ATGXRYSMIYVDMC-CYBMUJFWSA-N -1 1 381.444 1.016 20 0 GDADMM C[C@H](CNC(=O)CCCc1ccccn1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574917760 948822511 /nfs/dbraw/zinc/82/25/11/948822511.db2.gz ATGXRYSMIYVDMC-CYBMUJFWSA-N -1 1 381.444 1.016 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001575227362 948828414 /nfs/dbraw/zinc/82/84/14/948828414.db2.gz UYBJOEKUGQYQPS-INIZCTEOSA-N -1 1 378.387 1.131 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001575227362 948828433 /nfs/dbraw/zinc/82/84/33/948828433.db2.gz UYBJOEKUGQYQPS-INIZCTEOSA-N -1 1 378.387 1.131 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1COc2ccccc21 ZINC001574682807 948833462 /nfs/dbraw/zinc/83/34/62/948833462.db2.gz RHUIZSPXUPFPMK-WCQYABFASA-N -1 1 380.412 1.140 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1COc2ccccc21 ZINC001574682807 948833481 /nfs/dbraw/zinc/83/34/81/948833481.db2.gz RHUIZSPXUPFPMK-WCQYABFASA-N -1 1 380.412 1.140 20 0 GDADMM CC(F)(F)CC(=O)NCc1ccc(CNc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001575229264 948843051 /nfs/dbraw/zinc/84/30/51/948843051.db2.gz FLCBZYGLHYZGQK-UHFFFAOYSA-N -1 1 388.382 1.352 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)C(F)F ZINC001573762012 948847455 /nfs/dbraw/zinc/84/74/55/948847455.db2.gz OMGBLCAEMJRXPR-AOOOYVTPSA-N -1 1 378.387 1.128 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001575229637 948853625 /nfs/dbraw/zinc/85/36/25/948853625.db2.gz PAXLPIUKKUXIMC-ZCFIWIBFSA-N -1 1 377.808 1.717 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001575229637 948853646 /nfs/dbraw/zinc/85/36/46/948853646.db2.gz PAXLPIUKKUXIMC-ZCFIWIBFSA-N -1 1 377.808 1.717 20 0 GDADMM CC(C)c1nc(C(=O)N(C)CCN(C)c2nccnc2-c2nnn[n-]2)cs1 ZINC001574424561 948854454 /nfs/dbraw/zinc/85/44/54/948854454.db2.gz PYVWFHXNCMUHMY-UHFFFAOYSA-N -1 1 387.473 1.445 20 0 GDADMM CC(C)c1nc(C(=O)N(C)CCN(C)c2nccnc2-c2nn[n-]n2)cs1 ZINC001574424561 948854471 /nfs/dbraw/zinc/85/44/71/948854471.db2.gz PYVWFHXNCMUHMY-UHFFFAOYSA-N -1 1 387.473 1.445 20 0 GDADMM C[C@H](CNC(=O)CCCc1cccnc1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574918594 948855055 /nfs/dbraw/zinc/85/50/55/948855055.db2.gz OKKXDWDFMSTINX-ZDUSSCGKSA-N -1 1 381.444 1.239 20 0 GDADMM C[C@H](CNC(=O)CCCc1cccnc1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574918594 948855074 /nfs/dbraw/zinc/85/50/74/948855074.db2.gz OKKXDWDFMSTINX-ZDUSSCGKSA-N -1 1 381.444 1.239 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001575230015 948866190 /nfs/dbraw/zinc/86/61/90/948866190.db2.gz ZACITTINTZWWJS-ZCFIWIBFSA-N -1 1 377.808 1.717 20 0 GDADMM CC(C)(C(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573763181 948869710 /nfs/dbraw/zinc/86/97/10/948869710.db2.gz CRUKRJVPZGJYAU-AWEZNQCLSA-N -1 1 384.488 1.698 20 0 GDADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)N(C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574082984 948871123 /nfs/dbraw/zinc/87/11/23/948871123.db2.gz MVHFNLMPANQXMP-AUUYWEPGSA-N -1 1 384.488 1.766 20 0 GDADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)N(C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574082984 948871139 /nfs/dbraw/zinc/87/11/39/948871139.db2.gz MVHFNLMPANQXMP-AUUYWEPGSA-N -1 1 384.488 1.766 20 0 GDADMM C[C@H](CNC(=O)CCCc1ccccc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574919366 948872818 /nfs/dbraw/zinc/87/28/18/948872818.db2.gz XPRCBKMPBNHGRE-CQSZACIVSA-N -1 1 380.456 1.621 20 0 GDADMM C[C@H](CNC(=O)CCCc1ccccc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574919366 948872835 /nfs/dbraw/zinc/87/28/35/948872835.db2.gz XPRCBKMPBNHGRE-CQSZACIVSA-N -1 1 380.456 1.621 20 0 GDADMM CC(C)(C(=O)N1CCC[C@H]2[C@H]1CCN2c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573764280 948884188 /nfs/dbraw/zinc/88/41/88/948884188.db2.gz LLHPYPJYFARGNE-UONOGXRCSA-N -1 1 382.472 1.663 20 0 GDADMM CC(C)(C(=O)N1CC[C@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1)C1CC1 ZINC001573764339 948887691 /nfs/dbraw/zinc/88/76/91/948887691.db2.gz NGUKOTBAHJDZLI-IBGZPJMESA-N -1 1 382.472 1.522 20 0 GDADMM CC(C)(C(=O)N1CC[C@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1)C1CC1 ZINC001573764339 948887708 /nfs/dbraw/zinc/88/77/08/948887708.db2.gz NGUKOTBAHJDZLI-IBGZPJMESA-N -1 1 382.472 1.522 20 0 GDADMM CC(F)(F)CC(=O)NC[C@H]1CCCCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575234224 948896931 /nfs/dbraw/zinc/89/69/31/948896931.db2.gz PVYVGXPADYYCNJ-LLVKDONJSA-N -1 1 380.403 1.567 20 0 GDADMM CC(F)(F)CC(=O)NC[C@H]1CCCCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575234224 948896946 /nfs/dbraw/zinc/89/69/46/948896946.db2.gz PVYVGXPADYYCNJ-LLVKDONJSA-N -1 1 380.403 1.567 20 0 GDADMM CC(F)(F)CCC(=O)N1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC001575234804 948904495 /nfs/dbraw/zinc/90/44/95/948904495.db2.gz FZCAKNFEJBCORB-JTQLQIEISA-N -1 1 380.403 1.163 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)s1 ZINC001574427535 948905558 /nfs/dbraw/zinc/90/55/58/948905558.db2.gz GREYCOFIZPBKLT-JTQLQIEISA-N -1 1 385.457 1.245 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)s1 ZINC001574427535 948905568 /nfs/dbraw/zinc/90/55/68/948905568.db2.gz GREYCOFIZPBKLT-JTQLQIEISA-N -1 1 385.457 1.245 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@]12CCC[C@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001575235563 948921745 /nfs/dbraw/zinc/92/17/45/948921745.db2.gz OWVTWVINMIDKKO-SJKOYZFVSA-N -1 1 392.414 1.710 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@]12CCC[C@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001575235563 948921758 /nfs/dbraw/zinc/92/17/58/948921758.db2.gz OWVTWVINMIDKKO-SJKOYZFVSA-N -1 1 392.414 1.710 20 0 GDADMM CC(F)(F)CC(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C ZINC001575235882 948932013 /nfs/dbraw/zinc/93/20/13/948932013.db2.gz YZWIEIAMJPDJID-NSHDSACASA-N -1 1 380.403 1.423 20 0 GDADMM CC(F)(F)CC(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C ZINC001575235882 948932019 /nfs/dbraw/zinc/93/20/19/948932019.db2.gz YZWIEIAMJPDJID-NSHDSACASA-N -1 1 380.403 1.423 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001574432700 948938837 /nfs/dbraw/zinc/93/88/37/948938837.db2.gz ARGJKQXWWHGOFR-SNVBAGLBSA-N -1 1 385.457 1.245 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001574432700 948938851 /nfs/dbraw/zinc/93/88/51/948938851.db2.gz ARGJKQXWWHGOFR-SNVBAGLBSA-N -1 1 385.457 1.245 20 0 GDADMM CC(C)c1ncsc1C(=O)N(C)CCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574433307 948954328 /nfs/dbraw/zinc/95/43/28/948954328.db2.gz SXCVFQVYHLMBLG-UHFFFAOYSA-N -1 1 387.473 1.445 20 0 GDADMM CC(C)c1ncsc1C(=O)N(C)CCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574433307 948954336 /nfs/dbraw/zinc/95/43/36/948954336.db2.gz SXCVFQVYHLMBLG-UHFFFAOYSA-N -1 1 387.473 1.445 20 0 GDADMM CC(C)(C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)C(F)(F)F ZINC001573772291 948955402 /nfs/dbraw/zinc/95/54/02/948955402.db2.gz SXFKQWBLHJJWTJ-SNVBAGLBSA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)(C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)C(F)(F)F ZINC001573772291 948955412 /nfs/dbraw/zinc/95/54/12/948955412.db2.gz SXFKQWBLHJJWTJ-SNVBAGLBSA-N -1 1 384.366 1.552 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C ZINC001575239465 948960862 /nfs/dbraw/zinc/96/08/62/948960862.db2.gz SRTYQCFBOBLYSJ-NSHDSACASA-N -1 1 380.403 1.423 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C ZINC001575239465 948960872 /nfs/dbraw/zinc/96/08/72/948960872.db2.gz SRTYQCFBOBLYSJ-NSHDSACASA-N -1 1 380.403 1.423 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@@H](C)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574433811 948963890 /nfs/dbraw/zinc/96/38/90/948963890.db2.gz RGONMTNAIAMAEV-ZJUUUORDSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@@H](C)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574433811 948963900 /nfs/dbraw/zinc/96/39/00/948963900.db2.gz RGONMTNAIAMAEV-ZJUUUORDSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)C(F)F ZINC001573772597 948964732 /nfs/dbraw/zinc/96/47/32/948964732.db2.gz VWEXTHCYUBBXIJ-NXEZZACHSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)C(F)F ZINC001573772597 948964747 /nfs/dbraw/zinc/96/47/47/948964747.db2.gz VWEXTHCYUBBXIJ-NXEZZACHSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C(=O)NC1CC2(C1)CC(Nc1ccc(-c3nnn[n-]3)nn1)C2)C(F)F ZINC001573772873 948969645 /nfs/dbraw/zinc/96/96/45/948969645.db2.gz XMEDUMDTIAYDPS-UHFFFAOYSA-N -1 1 392.414 1.787 20 0 GDADMM CC(C)(C(=O)NC1CC2(C1)CC(Nc1ccc(-c3nn[n-]n3)nn1)C2)C(F)F ZINC001573772873 948969659 /nfs/dbraw/zinc/96/96/59/948969659.db2.gz XMEDUMDTIAYDPS-UHFFFAOYSA-N -1 1 392.414 1.787 20 0 GDADMM CC(F)(F)CN1CCN(S(=O)(=O)Cc2csc(-c3nn[n-]n3)c2)CC1 ZINC001575242700 948987942 /nfs/dbraw/zinc/98/79/42/948987942.db2.gz KEWVLGQOIVZHQT-UHFFFAOYSA-N -1 1 392.457 1.031 20 0 GDADMM CC(F)(F)CCC(=O)N[C@]12CCC[C@H]1CN(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001575243104 948990086 /nfs/dbraw/zinc/99/00/86/948990086.db2.gz NFWNXRCVQKCTJX-GTNSWQLSSA-N -1 1 392.414 1.567 20 0 GDADMM CC(F)(F)CCC(=O)N[C@]12CCC[C@H]1CN(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001575243104 948990102 /nfs/dbraw/zinc/99/01/02/948990102.db2.gz NFWNXRCVQKCTJX-GTNSWQLSSA-N -1 1 392.414 1.567 20 0 GDADMM CC(C)(C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCOCC1)C1CC1 ZINC001573774046 948996916 /nfs/dbraw/zinc/99/69/16/948996916.db2.gz JBQBJKLHMUHDFT-UHFFFAOYSA-N -1 1 386.460 1.170 20 0 GDADMM CC(C)(C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCOCC1)C1CC1 ZINC001573774046 948996929 /nfs/dbraw/zinc/99/69/29/948996929.db2.gz JBQBJKLHMUHDFT-UHFFFAOYSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@H]1CCCC1(F)F ZINC001574691314 949020736 /nfs/dbraw/zinc/02/07/36/949020736.db2.gz WOVNBTKFYKTQKC-WDEREUQCSA-N -1 1 380.403 1.789 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@H]1CCCC1(F)F ZINC001574691314 949020754 /nfs/dbraw/zinc/02/07/54/949020754.db2.gz WOVNBTKFYKTQKC-WDEREUQCSA-N -1 1 380.403 1.789 20 0 GDADMM CC(C)(C(=O)NC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1)C(F)(F)F ZINC001573774996 949024483 /nfs/dbraw/zinc/02/44/83/949024483.db2.gz RDAPVXZWOICGPJ-SECBINFHSA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)(C(=O)NC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1)C(F)(F)F ZINC001573774996 949024505 /nfs/dbraw/zinc/02/45/05/949024505.db2.gz RDAPVXZWOICGPJ-SECBINFHSA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)c1occc1C(=O)N1CC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001574440647 949032453 /nfs/dbraw/zinc/03/24/53/949032453.db2.gz ARFBCMIVSIVVBO-LBPRGKRZSA-N -1 1 382.428 1.724 20 0 GDADMM CC(C)c1occc1C(=O)N1CC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001574440647 949032467 /nfs/dbraw/zinc/03/24/67/949032467.db2.gz ARFBCMIVSIVVBO-LBPRGKRZSA-N -1 1 382.428 1.724 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573779675 949067216 /nfs/dbraw/zinc/06/72/16/949067216.db2.gz LTTDZYYVHZWHFK-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)C1CCCC1 ZINC001573780104 949078755 /nfs/dbraw/zinc/07/87/55/949078755.db2.gz RRUUTXHOMWGZET-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573780104 949078776 /nfs/dbraw/zinc/07/87/76/949078776.db2.gz RRUUTXHOMWGZET-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001573780306 949089568 /nfs/dbraw/zinc/08/95/68/949089568.db2.gz VTFXJQKWDWHBKE-AWEZNQCLSA-N -1 1 392.467 1.577 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001573780306 949089587 /nfs/dbraw/zinc/08/95/87/949089587.db2.gz VTFXJQKWDWHBKE-AWEZNQCLSA-N -1 1 392.467 1.577 20 0 GDADMM C[C@H](CN(C)C(=O)C(C)(C)[C@H]1CCCCO1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574694745 949091722 /nfs/dbraw/zinc/09/17/22/949091722.db2.gz VWLSRHNQHFYMAW-TZMCWYRMSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CN(C)C(=O)C(C)(C)[C@H]1CCCCO1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574694745 949091741 /nfs/dbraw/zinc/09/17/41/949091741.db2.gz VWLSRHNQHFYMAW-TZMCWYRMSA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)C1CCCC1 ZINC001573780434 949094081 /nfs/dbraw/zinc/09/40/81/949094081.db2.gz ZAYGVLPGHGTTHT-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573780434 949094096 /nfs/dbraw/zinc/09/40/96/949094096.db2.gz ZAYGVLPGHGTTHT-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)N1CCC(CN(C)c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574093042 949095410 /nfs/dbraw/zinc/09/54/10/949095410.db2.gz QTUZHLXZHBAQBX-CABCVRRESA-N -1 1 384.488 1.624 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)N1CCC(CN(C)c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574093042 949095431 /nfs/dbraw/zinc/09/54/31/949095431.db2.gz QTUZHLXZHBAQBX-CABCVRRESA-N -1 1 384.488 1.624 20 0 GDADMM CC(C)(C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001573781081 949097462 /nfs/dbraw/zinc/09/74/62/949097462.db2.gz BRPSTWKHHSUAED-DTORHVGOSA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)(C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001573781081 949097479 /nfs/dbraw/zinc/09/74/79/949097479.db2.gz BRPSTWKHHSUAED-DTORHVGOSA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)[C@@]1(C)C[C@H]1C(=O)N1CCC(N(C)c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574093336 949102715 /nfs/dbraw/zinc/10/27/15/949102715.db2.gz WTYAFUFIWPMNJR-IFXJQAMLSA-N -1 1 384.488 1.766 20 0 GDADMM CC(C)[C@@]1(C)C[C@H]1C(=O)N1CCC(N(C)c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574093336 949102727 /nfs/dbraw/zinc/10/27/27/949102727.db2.gz WTYAFUFIWPMNJR-IFXJQAMLSA-N -1 1 384.488 1.766 20 0 GDADMM CC(C)(C(=O)NCC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1CCC1 ZINC001573781223 949103739 /nfs/dbraw/zinc/10/37/39/949103739.db2.gz DYDQXJLFUZIXNM-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C(=O)NCC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1CCC1 ZINC001573781223 949103747 /nfs/dbraw/zinc/10/37/47/949103747.db2.gz DYDQXJLFUZIXNM-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](NC(=O)C(C)(C)c1cccnc1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575250343 949109122 /nfs/dbraw/zinc/10/91/22/949109122.db2.gz FCRMIHDWARKLAX-RYUDHWBXSA-N -1 1 381.444 1.335 20 0 GDADMM C[C@H](NC(=O)C(C)(C)c1cccnc1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575250343 949109103 /nfs/dbraw/zinc/10/91/03/949109103.db2.gz FCRMIHDWARKLAX-RYUDHWBXSA-N -1 1 381.444 1.335 20 0 GDADMM C[C@H](NC(=O)C(C)(C)c1ccccc1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575250328 949109873 /nfs/dbraw/zinc/10/98/73/949109873.db2.gz DUXRJWPENMRQKB-STQMWFEESA-N -1 1 380.456 1.940 20 0 GDADMM C[C@H](NC(=O)C(C)(C)c1ccccc1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575250328 949109863 /nfs/dbraw/zinc/10/98/63/949109863.db2.gz DUXRJWPENMRQKB-STQMWFEESA-N -1 1 380.456 1.940 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)c1cccnc1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575250342 949111851 /nfs/dbraw/zinc/11/18/51/949111851.db2.gz FCRMIHDWARKLAX-NWDGAFQWSA-N -1 1 381.444 1.335 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)c1cccnc1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575250342 949111836 /nfs/dbraw/zinc/11/18/36/949111836.db2.gz FCRMIHDWARKLAX-NWDGAFQWSA-N -1 1 381.444 1.335 20 0 GDADMM CC(C)c1occc1C(=O)NCC1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574445998 949117336 /nfs/dbraw/zinc/11/73/36/949117336.db2.gz FCYHQAODYGWVTB-UHFFFAOYSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1occc1C(=O)NCC1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574445998 949117352 /nfs/dbraw/zinc/11/73/52/949117352.db2.gz FCYHQAODYGWVTB-UHFFFAOYSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)[C@]1(C)C[C@@H]1C(=O)NCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574093755 949120341 /nfs/dbraw/zinc/12/03/41/949120341.db2.gz YHUNVTPRXABCDL-KUHUBIRLSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)[C@]1(C)C[C@@H]1C(=O)NCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574093755 949120352 /nfs/dbraw/zinc/12/03/52/949120352.db2.gz YHUNVTPRXABCDL-KUHUBIRLSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@@H](NC(=O)C1(C(F)(F)F)CCC1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575250916 949122434 /nfs/dbraw/zinc/12/24/34/949122434.db2.gz IRXDZQMBQSPENP-DTWKUNHWSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](NC(=O)C1(C(F)(F)F)CCC1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575250916 949122445 /nfs/dbraw/zinc/12/24/45/949122445.db2.gz IRXDZQMBQSPENP-DTWKUNHWSA-N -1 1 384.366 1.694 20 0 GDADMM CC(C)c1occc1C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1 ZINC001574446190 949124038 /nfs/dbraw/zinc/12/40/38/949124038.db2.gz JOMGNHUXTDFPTG-RYUDHWBXSA-N -1 1 380.412 1.476 20 0 GDADMM CC(C)c1occc1C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1 ZINC001574446190 949124052 /nfs/dbraw/zinc/12/40/52/949124052.db2.gz JOMGNHUXTDFPTG-RYUDHWBXSA-N -1 1 380.412 1.476 20 0 GDADMM CC(C)c1cc(C(=O)N[C@H](C)CCNc2nccnc2-c2nnn[n-]2)nn1C ZINC001574696610 949134454 /nfs/dbraw/zinc/13/44/54/949134454.db2.gz SBQAJJQASMZWTQ-LLVKDONJSA-N -1 1 384.448 1.134 20 0 GDADMM CC(C)c1cc(C(=O)N[C@H](C)CCNc2nccnc2-c2nn[n-]n2)nn1C ZINC001574696610 949134474 /nfs/dbraw/zinc/13/44/74/949134474.db2.gz SBQAJJQASMZWTQ-LLVKDONJSA-N -1 1 384.448 1.134 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)[C@H]1CCCCO1 ZINC001574696845 949141726 /nfs/dbraw/zinc/14/17/26/949141726.db2.gz VQTWQJDTNSHIEM-DTWKUNHWSA-N -1 1 385.881 1.852 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@H]1CCCCO1 ZINC001574696845 949141737 /nfs/dbraw/zinc/14/17/37/949141737.db2.gz VQTWQJDTNSHIEM-DTWKUNHWSA-N -1 1 385.881 1.852 20 0 GDADMM CC(C)c1ocnc1C(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574446885 949144642 /nfs/dbraw/zinc/14/46/42/949144642.db2.gz ZHWJGMBEWFKWCA-UHFFFAOYSA-N -1 1 385.432 1.367 20 0 GDADMM CC(C)c1ocnc1C(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574446885 949144654 /nfs/dbraw/zinc/14/46/54/949144654.db2.gz ZHWJGMBEWFKWCA-UHFFFAOYSA-N -1 1 385.432 1.367 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)Cc1cc2ccccc2o1 ZINC001574697044 949146632 /nfs/dbraw/zinc/14/66/32/949146632.db2.gz XQGMOZXFSLSUSY-LBPRGKRZSA-N -1 1 392.423 1.952 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)Cc1cc2ccccc2o1 ZINC001574697044 949146645 /nfs/dbraw/zinc/14/66/45/949146645.db2.gz XQGMOZXFSLSUSY-LBPRGKRZSA-N -1 1 392.423 1.952 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001574697182 949150158 /nfs/dbraw/zinc/15/01/58/949150158.db2.gz ZQOVBPOZJVMEMI-FPMFFAJLSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001574697182 949150176 /nfs/dbraw/zinc/15/01/76/949150176.db2.gz ZQOVBPOZJVMEMI-FPMFFAJLSA-N -1 1 379.428 1.162 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001574447484 949161635 /nfs/dbraw/zinc/16/16/35/949161635.db2.gz PSTCTCCWYLXJRV-LLVKDONJSA-N -1 1 385.432 1.635 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001574447484 949161646 /nfs/dbraw/zinc/16/16/46/949161646.db2.gz PSTCTCCWYLXJRV-LLVKDONJSA-N -1 1 385.432 1.635 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001574447533 949163153 /nfs/dbraw/zinc/16/31/53/949163153.db2.gz RVLZRDJLDLPBHI-NSHDSACASA-N -1 1 383.416 1.024 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001574447533 949163162 /nfs/dbraw/zinc/16/31/62/949163162.db2.gz RVLZRDJLDLPBHI-NSHDSACASA-N -1 1 383.416 1.024 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001574447647 949167364 /nfs/dbraw/zinc/16/73/64/949167364.db2.gz VXBZHXWAXOFBFG-LLVKDONJSA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001574447647 949167371 /nfs/dbraw/zinc/16/73/71/949167371.db2.gz VXBZHXWAXOFBFG-LLVKDONJSA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574447708 949169200 /nfs/dbraw/zinc/16/92/00/949169200.db2.gz YGKBECVXDHOFIV-LLVKDONJSA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574447708 949169212 /nfs/dbraw/zinc/16/92/12/949169212.db2.gz YGKBECVXDHOFIV-LLVKDONJSA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)[C@@H]1CCCCO1 ZINC001573787334 949174604 /nfs/dbraw/zinc/17/46/04/949174604.db2.gz UDQBEFZBMIWPGO-AVGNSLFASA-N -1 1 386.460 1.311 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)[C@@H]1CCCCO1 ZINC001573787334 949174616 /nfs/dbraw/zinc/17/46/16/949174616.db2.gz UDQBEFZBMIWPGO-AVGNSLFASA-N -1 1 386.460 1.311 20 0 GDADMM CC(C)c1oncc1C(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574448163 949177403 /nfs/dbraw/zinc/17/74/03/949177403.db2.gz DTGPWKFGLGHDGA-UHFFFAOYSA-N -1 1 383.416 1.121 20 0 GDADMM CC(C)c1oncc1C(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574448031 949179644 /nfs/dbraw/zinc/17/96/44/949179644.db2.gz CAIVTIJUJQWEOL-UHFFFAOYSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)C1CCCC1 ZINC001573787590 949181652 /nfs/dbraw/zinc/18/16/52/949181652.db2.gz YGASDYBTMDKHEN-NHAGDIPZSA-N -1 1 382.472 1.424 20 0 GDADMM C[C@H](NC(=O)C1(c2ccccc2)CC1)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575253167 949182330 /nfs/dbraw/zinc/18/23/30/949182330.db2.gz IZOGJWGFMFGMAM-STQMWFEESA-N -1 1 378.440 1.116 20 0 GDADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)C(C1CCC1)C1CCC1 ZINC001575253521 949189532 /nfs/dbraw/zinc/18/95/32/949189532.db2.gz UOXKBIPIWYCGIK-NEPJUHHUSA-N -1 1 384.488 1.600 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(F)cc1Cl)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574935303 949195527 /nfs/dbraw/zinc/19/55/27/949195527.db2.gz ACKOJHXFUFGJEU-VIFPVBQESA-N -1 1 390.810 1.030 20 0 GDADMM C[C@@H](c1ccccc1F)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1=O ZINC001575515843 949199176 /nfs/dbraw/zinc/19/91/76/949199176.db2.gz LISJHQFFYYDYLO-SMDDNHRTSA-N -1 1 382.403 1.960 20 0 GDADMM C[C@@H](c1ccccc1F)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1=O ZINC001575515843 949199192 /nfs/dbraw/zinc/19/91/92/949199192.db2.gz LISJHQFFYYDYLO-SMDDNHRTSA-N -1 1 382.403 1.960 20 0 GDADMM C[C@@H](C(=O)N(C)C[C@H](C)Nc1cncc(-c2nnn[n-]2)n1)c1ccccc1F ZINC001574698814 949209955 /nfs/dbraw/zinc/20/99/55/949209955.db2.gz OWEJHMPTTISWHJ-NWDGAFQWSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@@H](C(=O)N(C)C[C@H](C)Nc1cncc(-c2nn[n-]n2)n1)c1ccccc1F ZINC001574698814 949209976 /nfs/dbraw/zinc/20/99/76/949209976.db2.gz OWEJHMPTTISWHJ-NWDGAFQWSA-N -1 1 384.419 1.858 20 0 GDADMM CC1(Nc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)c2cc(Cl)no2)CC1 ZINC001575853566 949215454 /nfs/dbraw/zinc/21/54/54/949215454.db2.gz STXPGLHRWXOCQO-UHFFFAOYSA-N -1 1 389.807 1.405 20 0 GDADMM CC1(Nc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)c2cc(Cl)no2)CC1 ZINC001575853566 949215476 /nfs/dbraw/zinc/21/54/76/949215476.db2.gz STXPGLHRWXOCQO-UHFFFAOYSA-N -1 1 389.807 1.405 20 0 GDADMM CC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)[C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC001575854392 949231332 /nfs/dbraw/zinc/23/13/32/949231332.db2.gz UGNBDWOKAHOMKD-BFHYXJOUSA-N -1 1 382.472 1.308 20 0 GDADMM C[C@H]1CCC[C@@H](OCC(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001576151966 949236103 /nfs/dbraw/zinc/23/61/03/949236103.db2.gz HGRYZQMDUVSETK-GXTWGEPZSA-N -1 1 390.513 1.824 20 0 GDADMM C[C@H](CNC(=O)Cc1cc(F)ccc1F)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574938109 949237565 /nfs/dbraw/zinc/23/75/65/949237565.db2.gz SCRPTIDUGLOFFG-JTQLQIEISA-N -1 1 388.382 1.342 20 0 GDADMM C[C@H](CNC(=O)Cc1cc(F)ccc1F)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574938109 949237588 /nfs/dbraw/zinc/23/75/88/949237588.db2.gz SCRPTIDUGLOFFG-JTQLQIEISA-N -1 1 388.382 1.342 20 0 GDADMM CC(C)(C)C(=O)N1CCC([C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001573792135 949238169 /nfs/dbraw/zinc/23/81/69/949238169.db2.gz LRDNOCXLRPKGKV-AWEZNQCLSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)(C)C(=O)N1CCC([C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001573792135 949238188 /nfs/dbraw/zinc/23/81/88/949238188.db2.gz LRDNOCXLRPKGKV-AWEZNQCLSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](CNC(=O)Cc1c(F)cccc1Cl)Nc1nccnc1-c1nnn[n-]1 ZINC001574938490 949248226 /nfs/dbraw/zinc/24/82/26/949248226.db2.gz WXSYKIZNIJZPIA-VIFPVBQESA-N -1 1 390.810 1.609 20 0 GDADMM C[C@@H](CNC(=O)Cc1c(F)cccc1Cl)Nc1nccnc1-c1nn[n-]n1 ZINC001574938490 949248249 /nfs/dbraw/zinc/24/82/49/949248249.db2.gz WXSYKIZNIJZPIA-VIFPVBQESA-N -1 1 390.810 1.609 20 0 GDADMM CC(C)n1cc(C(=O)N(C)CCCN(C)c2ccc(-c3nnn[n-]3)nn2)cn1 ZINC001574451967 949251911 /nfs/dbraw/zinc/25/19/11/949251911.db2.gz CIXZNEQLCSPINX-UHFFFAOYSA-N -1 1 384.448 1.033 20 0 GDADMM CC(C)n1cc(C(=O)N(C)CCCN(C)c2ccc(-c3nn[n-]n3)nn2)cn1 ZINC001574451967 949251942 /nfs/dbraw/zinc/25/19/42/949251942.db2.gz CIXZNEQLCSPINX-UHFFFAOYSA-N -1 1 384.448 1.033 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(C2CC2)c1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574940242 949259793 /nfs/dbraw/zinc/25/97/93/949259793.db2.gz CKMJADRDQFNYNR-CYBMUJFWSA-N -1 1 392.467 1.718 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(C2CC2)c1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574940242 949259816 /nfs/dbraw/zinc/25/98/16/949259816.db2.gz CKMJADRDQFNYNR-CYBMUJFWSA-N -1 1 392.467 1.718 20 0 GDADMM CC(C)CC(=O)N1CCCC[C@H]1[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574106064 949267195 /nfs/dbraw/zinc/26/71/95/949267195.db2.gz CZTGYGCMXNODKZ-HOCLYGCPSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CC(=O)N1CCCC[C@H]1[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574106064 949267213 /nfs/dbraw/zinc/26/72/13/949267213.db2.gz CZTGYGCMXNODKZ-HOCLYGCPSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@]1(c2cccc(NC(=O)c3ccsc3-c3nnn[n-]3)c2)NC(=O)NC1=O ZINC001575857533 949269584 /nfs/dbraw/zinc/26/95/84/949269584.db2.gz SLPFBFNUZFPBBM-INIZCTEOSA-N -1 1 383.393 1.235 20 0 GDADMM C[C@@]1(c2cccc(NC(=O)c3ccsc3-c3nn[n-]n3)c2)NC(=O)NC1=O ZINC001575857533 949269605 /nfs/dbraw/zinc/26/96/05/949269605.db2.gz SLPFBFNUZFPBBM-INIZCTEOSA-N -1 1 383.393 1.235 20 0 GDADMM C[C@H]1CCC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576153019 949270319 /nfs/dbraw/zinc/27/03/19/949270319.db2.gz KZRCCMSWMZBBIR-ZQDZILKHSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H]1CCC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576153019 949270332 /nfs/dbraw/zinc/27/03/32/949270332.db2.gz KZRCCMSWMZBBIR-ZQDZILKHSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccnc1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574940738 949273136 /nfs/dbraw/zinc/27/31/36/949273136.db2.gz JLXHZSNBMJECDO-QMMMGPOBSA-N -1 1 378.849 1.531 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccnc1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574940738 949273156 /nfs/dbraw/zinc/27/31/56/949273156.db2.gz JLXHZSNBMJECDO-QMMMGPOBSA-N -1 1 378.849 1.531 20 0 GDADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)CCc2ccco2)CC1 ZINC001575858060 949281548 /nfs/dbraw/zinc/28/15/48/949281548.db2.gz ZSRVENRSMXAFRG-UHFFFAOYSA-N -1 1 382.428 1.676 20 0 GDADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)CCc2ccco2)CC1 ZINC001575858060 949281561 /nfs/dbraw/zinc/28/15/61/949281561.db2.gz ZSRVENRSMXAFRG-UHFFFAOYSA-N -1 1 382.428 1.676 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc2c(c1)CCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574941062 949282382 /nfs/dbraw/zinc/28/23/82/949282382.db2.gz NSZKGTRIEPDZTK-GFCCVEGCSA-N -1 1 378.440 1.305 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc2c(c1)CCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574941062 949282402 /nfs/dbraw/zinc/28/24/02/949282402.db2.gz NSZKGTRIEPDZTK-GFCCVEGCSA-N -1 1 378.440 1.305 20 0 GDADMM C[C@@H]1CCC[C@@]1(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001576153550 949291209 /nfs/dbraw/zinc/29/12/09/949291209.db2.gz MKRXGCPYBNOWRR-VYGYDYRJSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H]1CCC[C@@]1(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001576153550 949291227 /nfs/dbraw/zinc/29/12/27/949291227.db2.gz MKRXGCPYBNOWRR-VYGYDYRJSA-N -1 1 382.472 1.663 20 0 GDADMM CC1=C(C)C[C@](C)(C(=O)NC[C@@H](O)CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001575860252 949293273 /nfs/dbraw/zinc/29/32/73/949293273.db2.gz FEOMKBWSZQYCEY-SCLBCKFNSA-N -1 1 386.460 1.072 20 0 GDADMM CC1=C(C)C[C@](C)(C(=O)NC[C@@H](O)CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001575860252 949293289 /nfs/dbraw/zinc/29/32/89/949293289.db2.gz FEOMKBWSZQYCEY-SCLBCKFNSA-N -1 1 386.460 1.072 20 0 GDADMM CC(C)n1cc(C(=O)N[C@H]2C[C@H](CNc3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001574455203 949301024 /nfs/dbraw/zinc/30/10/24/949301024.db2.gz MMSOMOHDDWGCJJ-AULYBMBSSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cc(C(=O)N[C@H]2C[C@H](CNc3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001574455203 949301049 /nfs/dbraw/zinc/30/10/49/949301049.db2.gz MMSOMOHDDWGCJJ-AULYBMBSSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@H](CNC(=O)Cc1ccco1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001574941413 949308295 /nfs/dbraw/zinc/30/82/95/949308295.db2.gz QGNMUOCMIBNQEE-MRVPVSSYSA-N -1 1 381.849 1.753 20 0 GDADMM C[C@H](CNC(=O)Cc1ccco1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001574941413 949308325 /nfs/dbraw/zinc/30/83/25/949308325.db2.gz QGNMUOCMIBNQEE-MRVPVSSYSA-N -1 1 381.849 1.753 20 0 GDADMM CC(C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574109959 949339602 /nfs/dbraw/zinc/33/96/02/949339602.db2.gz KEQMRRNVPKEEJL-MWLCHTKSSA-N -1 1 384.366 1.504 20 0 GDADMM CC(C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574109959 949339619 /nfs/dbraw/zinc/33/96/19/949339619.db2.gz KEQMRRNVPKEEJL-MWLCHTKSSA-N -1 1 384.366 1.504 20 0 GDADMM CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001573796578 949340515 /nfs/dbraw/zinc/34/05/15/949340515.db2.gz SWYNKOSVFQINRE-SNVBAGLBSA-N -1 1 380.499 1.492 20 0 GDADMM CC(C)n1cccc1C(=O)N1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001574463838 949389877 /nfs/dbraw/zinc/38/98/77/949389877.db2.gz CDZAUMKLMIZRHV-ZDUSSCGKSA-N -1 1 381.444 1.756 20 0 GDADMM CC(C)n1cccc1C(=O)N1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001574463838 949389895 /nfs/dbraw/zinc/38/98/95/949389895.db2.gz CDZAUMKLMIZRHV-ZDUSSCGKSA-N -1 1 381.444 1.756 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cc[nH]c1 ZINC001576155299 949396822 /nfs/dbraw/zinc/39/68/22/949396822.db2.gz HTWRHFFOIZCOKW-KZULUSFZSA-N -1 1 381.444 1.776 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cc[nH]c1 ZINC001576155299 949396845 /nfs/dbraw/zinc/39/68/45/949396845.db2.gz HTWRHFFOIZCOKW-KZULUSFZSA-N -1 1 381.444 1.776 20 0 GDADMM C[C@H](CNC(=O)Cc1cscn1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574944884 949401246 /nfs/dbraw/zinc/40/12/46/949401246.db2.gz HYPIBVFTOTYQME-ZCFIWIBFSA-N -1 1 384.878 1.592 20 0 GDADMM C[C@H](CNC(=O)Cc1cscn1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574944884 949401253 /nfs/dbraw/zinc/40/12/53/949401253.db2.gz HYPIBVFTOTYQME-ZCFIWIBFSA-N -1 1 384.878 1.592 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574464233 949403220 /nfs/dbraw/zinc/40/32/20/949403220.db2.gz GVKVGFAXIJGDRU-ZDUSSCGKSA-N -1 1 381.444 1.438 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574464233 949403229 /nfs/dbraw/zinc/40/32/29/949403229.db2.gz GVKVGFAXIJGDRU-ZDUSSCGKSA-N -1 1 381.444 1.438 20 0 GDADMM CC(C)n1cccc1C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCC1 ZINC001574464217 949403644 /nfs/dbraw/zinc/40/36/44/949403644.db2.gz GCKWDCOWGCJQLM-UHFFFAOYSA-N -1 1 381.444 1.804 20 0 GDADMM CC(C)n1cccc1C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCC1 ZINC001574464217 949403660 /nfs/dbraw/zinc/40/36/60/949403660.db2.gz GCKWDCOWGCJQLM-UHFFFAOYSA-N -1 1 381.444 1.804 20 0 GDADMM C[C@@H](CNC(=O)Cc1cscn1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574945523 949412326 /nfs/dbraw/zinc/41/23/26/949412326.db2.gz LLBTWAFTTCWZTP-LURJTMIESA-N -1 1 384.878 1.592 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2(C(C)(F)F)CC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575866961 949424707 /nfs/dbraw/zinc/42/47/07/949424707.db2.gz ISXHPEXDRRCQHT-GHMZBOCLSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2(C(C)(F)F)CC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575866961 949424720 /nfs/dbraw/zinc/42/47/20/949424720.db2.gz ISXHPEXDRRCQHT-GHMZBOCLSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2(C)CC(F)(F)C2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575866992 949428885 /nfs/dbraw/zinc/42/88/85/949428885.db2.gz ITSSUEJRHJOCNP-WDEREUQCSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2(C)CC(F)(F)C2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575866992 949428898 /nfs/dbraw/zinc/42/88/98/949428898.db2.gz ITSSUEJRHJOCNP-WDEREUQCSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2(C(F)F)CC2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575867317 949432185 /nfs/dbraw/zinc/43/21/85/949432185.db2.gz JEMHILSUZCJSJM-ZJUUUORDSA-N -1 1 378.387 1.176 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2(C(F)F)CC2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575867317 949432196 /nfs/dbraw/zinc/43/21/96/949432196.db2.gz JEMHILSUZCJSJM-ZJUUUORDSA-N -1 1 378.387 1.176 20 0 GDADMM C[C@@H](NC(=O)CC(C)(C)C(F)(F)F)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575264750 949433734 /nfs/dbraw/zinc/43/37/34/949433734.db2.gz PYCNDRFEXCCGKC-RKDXNWHRSA-N -1 1 386.382 1.940 20 0 GDADMM C[C@@H](NC(=O)CC(C)(C)C(F)(F)F)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575264750 949433741 /nfs/dbraw/zinc/43/37/41/949433741.db2.gz PYCNDRFEXCCGKC-RKDXNWHRSA-N -1 1 386.382 1.940 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574465617 949436996 /nfs/dbraw/zinc/43/69/96/949436996.db2.gz SVFSBRHAGIPDOG-CYBMUJFWSA-N -1 1 381.444 1.438 20 0 GDADMM CC(C)n1cnc(C(=O)NCCNc2nc(-c3nn[n-]n3)c(Cl)s2)c1 ZINC001574465504 949438113 /nfs/dbraw/zinc/43/81/13/949438113.db2.gz ZLUUWVPEBZJMNN-UHFFFAOYSA-N -1 1 381.853 1.596 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1nccnc1-c1nnn[n-]1)NC(=O)CCCF ZINC001576157054 949469739 /nfs/dbraw/zinc/46/97/39/949469739.db2.gz OVSFXAKGMUYOFP-YVEFUNNKSA-N -1 1 376.440 1.883 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1nccnc1-c1nn[n-]n1)NC(=O)CCCF ZINC001576157054 949469747 /nfs/dbraw/zinc/46/97/47/949469747.db2.gz OVSFXAKGMUYOFP-YVEFUNNKSA-N -1 1 376.440 1.883 20 0 GDADMM C[C@H](NC(=O)CCC(F)F)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575266266 949471735 /nfs/dbraw/zinc/47/17/35/949471735.db2.gz CJESOAKOCPWEKP-WDEREUQCSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H](NC(=O)CCC(F)F)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575266266 949471746 /nfs/dbraw/zinc/47/17/46/949471746.db2.gz CJESOAKOCPWEKP-WDEREUQCSA-N -1 1 380.403 1.423 20 0 GDADMM CC(C)CC(=O)N[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C[C@H]1O ZINC001574117690 949477996 /nfs/dbraw/zinc/47/79/96/949477996.db2.gz ZBJPQZHZXVVMPI-RKDXNWHRSA-N -1 1 385.881 1.079 20 0 GDADMM CC(C)CC(=O)N[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C[C@H]1O ZINC001574117690 949478015 /nfs/dbraw/zinc/47/80/15/949478015.db2.gz ZBJPQZHZXVVMPI-RKDXNWHRSA-N -1 1 385.881 1.079 20 0 GDADMM CC1(C(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CCC(F)(F)CC1 ZINC001575536870 949480090 /nfs/dbraw/zinc/48/00/90/949480090.db2.gz OACOEMFAABZDDY-NSHDSACASA-N -1 1 392.414 1.885 20 0 GDADMM CC1(C(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CCC(F)(F)CC1 ZINC001575536870 949480108 /nfs/dbraw/zinc/48/01/08/949480108.db2.gz OACOEMFAABZDDY-NSHDSACASA-N -1 1 392.414 1.885 20 0 GDADMM CC(C)n1nccc1C(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574469906 949484778 /nfs/dbraw/zinc/48/47/78/949484778.db2.gz JLRGHRYVEOOZCS-DGCLKSJQSA-N -1 1 382.432 1.007 20 0 GDADMM CC(C)n1nccc1C(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574469906 949484798 /nfs/dbraw/zinc/48/47/98/949484798.db2.gz JLRGHRYVEOOZCS-DGCLKSJQSA-N -1 1 382.432 1.007 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1CCCCO1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574708242 949488636 /nfs/dbraw/zinc/48/86/36/949488636.db2.gz UTBPZVRCGKSCPR-BDAKNGLRSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1CCCCO1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574708242 949488656 /nfs/dbraw/zinc/48/86/56/949488656.db2.gz UTBPZVRCGKSCPR-BDAKNGLRSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cn[nH]c1 ZINC001576158438 949495940 /nfs/dbraw/zinc/49/59/40/949495940.db2.gz STNDYJOYUQFTBO-GTNSWQLSSA-N -1 1 382.432 1.171 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cn[nH]c1 ZINC001576158438 949495948 /nfs/dbraw/zinc/49/59/48/949495948.db2.gz STNDYJOYUQFTBO-GTNSWQLSSA-N -1 1 382.432 1.171 20 0 GDADMM CC(C)CC(=O)NC[C@H]1c2ccccc2CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001574119776 949499062 /nfs/dbraw/zinc/49/90/62/949499062.db2.gz JDZSGQITLRFCEE-KRWDZBQOSA-N -1 1 392.467 1.923 20 0 GDADMM CC(C)CC(=O)NC[C@H]1c2ccccc2CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001574119776 949499075 /nfs/dbraw/zinc/49/90/75/949499075.db2.gz JDZSGQITLRFCEE-KRWDZBQOSA-N -1 1 392.467 1.923 20 0 GDADMM C[C@@H](CC(=O)N(C)C1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001574470783 949514548 /nfs/dbraw/zinc/51/45/48/949514548.db2.gz GTHSQOOVPGVNTQ-GRTSSRMGSA-N -1 1 384.488 1.696 20 0 GDADMM CC(C)CC(=O)NC[C@@H]1Cc2ccccc2CN1c1ccnc(-c2nn[n-]n2)n1 ZINC001574122096 949520928 /nfs/dbraw/zinc/52/09/28/949520928.db2.gz VHSPPKCLOGLYPG-INIZCTEOSA-N -1 1 392.467 1.750 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1COc2ccccc21)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574711096 949523268 /nfs/dbraw/zinc/52/32/68/949523268.db2.gz DCBUYROFLFXOJN-YPMHNXCESA-N -1 1 380.412 1.092 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1COc2ccccc21)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574711096 949523282 /nfs/dbraw/zinc/52/32/82/949523282.db2.gz DCBUYROFLFXOJN-YPMHNXCESA-N -1 1 380.412 1.092 20 0 GDADMM C[C@H](CNC(=O)[C@@H](C)Cc1ccccc1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574950033 949523267 /nfs/dbraw/zinc/52/32/67/949523267.db2.gz KBHGPULCLCDLPY-UONOGXRCSA-N -1 1 380.456 1.476 20 0 GDADMM C[C@H](CNC(=O)[C@@H](C)Cc1ccccc1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574950033 949523281 /nfs/dbraw/zinc/52/32/81/949523281.db2.gz KBHGPULCLCDLPY-UONOGXRCSA-N -1 1 380.456 1.476 20 0 GDADMM CC1(C(=O)N2CC[C@@H]3[C@H](CCN3c3ccc(-c4nnn[n-]4)nn3)C2)CCCC1 ZINC001575539045 949536630 /nfs/dbraw/zinc/53/66/30/949536630.db2.gz LRUXGNDFPHWJTD-UKRRQHHQSA-N -1 1 382.472 1.664 20 0 GDADMM CC1(C(=O)N2CC[C@@H]3[C@H](CCN3c3ccc(-c4nn[n-]n4)nn3)C2)CCCC1 ZINC001575539045 949536648 /nfs/dbraw/zinc/53/66/48/949536648.db2.gz LRUXGNDFPHWJTD-UKRRQHHQSA-N -1 1 382.472 1.664 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1CCc2cccnc21)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574711460 949538415 /nfs/dbraw/zinc/53/84/15/949538415.db2.gz HNELNMMASZZFDZ-WCQYABFASA-N -1 1 379.428 1.041 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1CCc2cccnc21)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574711460 949538429 /nfs/dbraw/zinc/53/84/29/949538429.db2.gz HNELNMMASZZFDZ-WCQYABFASA-N -1 1 379.428 1.041 20 0 GDADMM CC(C)C[C@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)n1ccnc1 ZINC001574124416 949569844 /nfs/dbraw/zinc/56/98/44/949569844.db2.gz HGJKFSUAQXMDEX-CYBMUJFWSA-N -1 1 386.464 1.047 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001574475541 949574367 /nfs/dbraw/zinc/57/43/67/949574367.db2.gz BGEZBAZUWRQUEZ-UWVGGRQHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574475541 949574385 /nfs/dbraw/zinc/57/43/85/949574385.db2.gz BGEZBAZUWRQUEZ-UWVGGRQHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC(F)(F)F)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576166074 949578954 /nfs/dbraw/zinc/57/89/54/949578954.db2.gz LAVNXFSJZMIWPW-MWLCHTKSSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC(F)(F)F)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576166074 949578965 /nfs/dbraw/zinc/57/89/65/949578965.db2.gz LAVNXFSJZMIWPW-MWLCHTKSSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H]1CCCC[C@@H]1OCC(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001576166504 949582058 /nfs/dbraw/zinc/58/20/58/949582058.db2.gz MPOQAGPYAIOOCT-CXTNEJHOSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H]1CCCC[C@@H]1OCC(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001576166504 949582079 /nfs/dbraw/zinc/58/20/79/949582079.db2.gz MPOQAGPYAIOOCT-CXTNEJHOSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2CCCC2)[C@@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576166658 949584505 /nfs/dbraw/zinc/58/45/05/949584505.db2.gz NFEOKCTUEYAIGD-UKRRQHHQSA-N -1 1 384.488 1.698 20 0 GDADMM CC1(C(=O)N2CCC[C@]3(CCN(c4ccc(-c5nnn[n-]5)nn4)C3)C2)CCC1 ZINC001575544936 949590627 /nfs/dbraw/zinc/59/06/27/949590627.db2.gz HUQGGVDELOGDRY-LJQANCHMSA-N -1 1 382.472 1.666 20 0 GDADMM CC1(C(=O)N2CCC[C@]3(CCN(c4ccc(-c5nn[n-]n5)nn4)C3)C2)CCC1 ZINC001575544936 949590640 /nfs/dbraw/zinc/59/06/40/949590640.db2.gz HUQGGVDELOGDRY-LJQANCHMSA-N -1 1 382.472 1.666 20 0 GDADMM C[C@H](CC(=O)N(C)CCCN(C)c1nccnc1-c1nnn[n-]1)[C@@H]1CCCO1 ZINC001574476273 949591689 /nfs/dbraw/zinc/59/16/89/949591689.db2.gz FUFBWYFLNYDMSW-KGLIPLIRSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@H](CC(=O)N(C)CCCN(C)c1nccnc1-c1nn[n-]n1)[C@@H]1CCCO1 ZINC001574476273 949591709 /nfs/dbraw/zinc/59/17/09/949591709.db2.gz FUFBWYFLNYDMSW-KGLIPLIRSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1CCc2cccnc21)Nc1nccnc1-c1nnn[n-]1 ZINC001574713112 949593598 /nfs/dbraw/zinc/59/35/98/949593598.db2.gz VYRXCEZIVJDYRZ-DGCLKSJQSA-N -1 1 379.428 1.041 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1CCc2cccnc21)Nc1nccnc1-c1nn[n-]n1 ZINC001574713112 949593618 /nfs/dbraw/zinc/59/36/18/949593618.db2.gz VYRXCEZIVJDYRZ-DGCLKSJQSA-N -1 1 379.428 1.041 20 0 GDADMM CC(C)C[C@H](C(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1)n1ccnc1 ZINC001574125845 949596757 /nfs/dbraw/zinc/59/67/57/949596757.db2.gz UBBUHANJYWNANR-CQSZACIVSA-N -1 1 384.448 1.011 20 0 GDADMM C[C@@H]1[C@H](NC(=O)Cc2ccccc2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575874394 949613990 /nfs/dbraw/zinc/61/39/90/949613990.db2.gz GGYRLQGHAXWSKZ-UKRRQHHQSA-N -1 1 378.440 1.373 20 0 GDADMM C[C@@H]1[C@H](NC(=O)Cc2ccccc2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575874394 949614001 /nfs/dbraw/zinc/61/40/01/949614001.db2.gz GGYRLQGHAXWSKZ-UKRRQHHQSA-N -1 1 378.440 1.373 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CCC(C)(F)F)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575876158 949640126 /nfs/dbraw/zinc/64/01/26/949640126.db2.gz XABRVQWUQFOAIS-GHMZBOCLSA-N -1 1 380.403 1.566 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CCC(C)(F)F)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575876158 949640134 /nfs/dbraw/zinc/64/01/34/949640134.db2.gz XABRVQWUQFOAIS-GHMZBOCLSA-N -1 1 380.403 1.566 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H]1Cc2ccccc21 ZINC001573815202 949647516 /nfs/dbraw/zinc/64/75/16/949647516.db2.gz GVZZQPGIGSIVFY-LSDHHAIUSA-N -1 1 392.467 1.361 20 0 GDADMM C[C@@H](CC(=O)N(C)CCCN(C)c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCCO1 ZINC001574477299 949648505 /nfs/dbraw/zinc/64/85/05/949648505.db2.gz PYCLOCZZAUDQIH-DZGCQCFKSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@@H](CC(=O)N(C)CCCN(C)c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCCO1 ZINC001574477299 949648512 /nfs/dbraw/zinc/64/85/12/949648512.db2.gz PYCLOCZZAUDQIH-DZGCQCFKSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C23CCC(CC2)C3)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575876763 949654896 /nfs/dbraw/zinc/65/48/96/949654896.db2.gz YDPIOSVOSDHJLW-GWMLXNDSSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C23CCC(CC2)C3)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575876763 949654922 /nfs/dbraw/zinc/65/49/22/949654922.db2.gz YDPIOSVOSDHJLW-GWMLXNDSSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H]1[C@H](NC(=O)CCn2cccc2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575877648 949665455 /nfs/dbraw/zinc/66/54/55/949665455.db2.gz MFRKXRVWZXYJAI-UONOGXRCSA-N -1 1 381.444 1.022 20 0 GDADMM C[C@H]1[C@H](NC(=O)CCn2cccc2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575877648 949665464 /nfs/dbraw/zinc/66/54/64/949665464.db2.gz MFRKXRVWZXYJAI-UONOGXRCSA-N -1 1 381.444 1.022 20 0 GDADMM C[C@H](CC(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1)c1cccc(F)c1 ZINC001574477691 949668890 /nfs/dbraw/zinc/66/88/90/949668890.db2.gz QJNCMPSCDGKSGQ-GFCCVEGCSA-N -1 1 384.419 1.860 20 0 GDADMM C[C@H](CC(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1)c1cccc(F)c1 ZINC001574477691 949668906 /nfs/dbraw/zinc/66/89/06/949668906.db2.gz QJNCMPSCDGKSGQ-GFCCVEGCSA-N -1 1 384.419 1.860 20 0 GDADMM C[C@H]1CCCC[C@H]1CC(=O)N(CCO)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576169228 949670770 /nfs/dbraw/zinc/67/07/70/949670770.db2.gz IZXHQHMRMQFLTK-KBPBESRZSA-N -1 1 388.476 1.106 20 0 GDADMM C[C@H]1CCCC[C@H]1CC(=O)N(CCO)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576169228 949670786 /nfs/dbraw/zinc/67/07/86/949670786.db2.gz IZXHQHMRMQFLTK-KBPBESRZSA-N -1 1 388.476 1.106 20 0 GDADMM C[C@@H](CC(=O)N(C)CCCN(C)c1cncc(-c2nnn[n-]2)n1)[C@@H]1CCCO1 ZINC001574477891 949682390 /nfs/dbraw/zinc/68/23/90/949682390.db2.gz WABBADSTQDYGTI-ZFWWWQNUSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@@H](CC(=O)N(C)CCCN(C)c1cncc(-c2nn[n-]n2)n1)[C@@H]1CCCO1 ZINC001574477891 949682399 /nfs/dbraw/zinc/68/23/99/949682399.db2.gz WABBADSTQDYGTI-ZFWWWQNUSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@@H](NC(=O)CCc1ccc(F)cc1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575275395 949695328 /nfs/dbraw/zinc/69/53/28/949695328.db2.gz CBKOSEVICCYDNV-NWDGAFQWSA-N -1 1 384.419 1.734 20 0 GDADMM C[C@@H](NC(=O)CCc1ccc(F)cc1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575275395 949695344 /nfs/dbraw/zinc/69/53/44/949695344.db2.gz CBKOSEVICCYDNV-NWDGAFQWSA-N -1 1 384.419 1.734 20 0 GDADMM C[C@@H](NC(=O)CCc1ccccc1F)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575275892 949707573 /nfs/dbraw/zinc/70/75/73/949707573.db2.gz FPWOXFDJXAKTRG-NWDGAFQWSA-N -1 1 384.419 1.734 20 0 GDADMM C[C@@H](NC(=O)CCc1ccccc1F)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575275892 949707590 /nfs/dbraw/zinc/70/75/90/949707590.db2.gz FPWOXFDJXAKTRG-NWDGAFQWSA-N -1 1 384.419 1.734 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CC1CCOCC1 ZINC001573818142 949723388 /nfs/dbraw/zinc/72/33/88/949723388.db2.gz HBSLOEHRMGILKA-CQSZACIVSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CC1CCOCC1 ZINC001573818142 949723412 /nfs/dbraw/zinc/72/34/12/949723412.db2.gz HBSLOEHRMGILKA-CQSZACIVSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N1CCO[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574134724 949724827 /nfs/dbraw/zinc/72/48/27/949724827.db2.gz ITJJFTIGVMICST-UONOGXRCSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N1CCO[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574134724 949724839 /nfs/dbraw/zinc/72/48/39/949724839.db2.gz ITJJFTIGVMICST-UONOGXRCSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001574479091 949727839 /nfs/dbraw/zinc/72/78/39/949727839.db2.gz CSSGJPILAVMYLO-YUELXQCFSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001574479091 949727857 /nfs/dbraw/zinc/72/78/57/949727857.db2.gz CSSGJPILAVMYLO-YUELXQCFSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@]1(C(=O)N[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C2CCCC2)CCOC1 ZINC001575558501 949740490 /nfs/dbraw/zinc/74/04/90/949740490.db2.gz QEAJGVOAAICLAH-KSSFIOAISA-N -1 1 386.460 1.170 20 0 GDADMM C[C@]1(C(=O)N[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C2CCCC2)CCOC1 ZINC001575558501 949740511 /nfs/dbraw/zinc/74/05/11/949740511.db2.gz QEAJGVOAAICLAH-KSSFIOAISA-N -1 1 386.460 1.170 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001573818949 949745584 /nfs/dbraw/zinc/74/55/84/949745584.db2.gz PJMSRROVUPZWLL-MHDGFBEUSA-N -1 1 386.460 1.167 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001573818949 949745600 /nfs/dbraw/zinc/74/56/00/949745600.db2.gz PJMSRROVUPZWLL-MHDGFBEUSA-N -1 1 386.460 1.167 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CCn1cccc1 ZINC001573818980 949747085 /nfs/dbraw/zinc/74/70/85/949747085.db2.gz QEDZWRORSSDRPH-CQSZACIVSA-N -1 1 383.460 1.491 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CCn1cccc1 ZINC001573818980 949747098 /nfs/dbraw/zinc/74/70/98/949747098.db2.gz QEDZWRORSSDRPH-CQSZACIVSA-N -1 1 383.460 1.491 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)COC1CCCC1 ZINC001573819761 949755501 /nfs/dbraw/zinc/75/55/01/949755501.db2.gz UVFWPKDFYFMAEM-CQSZACIVSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)COC1CCCC1 ZINC001573819761 949755513 /nfs/dbraw/zinc/75/55/13/949755513.db2.gz UVFWPKDFYFMAEM-CQSZACIVSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574137560 949763361 /nfs/dbraw/zinc/76/33/61/949763361.db2.gz VVGWZWQTRVBOFR-UONOGXRCSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574137560 949763385 /nfs/dbraw/zinc/76/33/85/949763385.db2.gz VVGWZWQTRVBOFR-UONOGXRCSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1CCC1(F)F ZINC001573820753 949767676 /nfs/dbraw/zinc/76/76/76/949767676.db2.gz ZXCKZSKWRRJUPH-ONGXEEELSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1CCC1(F)F ZINC001573820753 949767683 /nfs/dbraw/zinc/76/76/83/949767683.db2.gz ZXCKZSKWRRJUPH-ONGXEEELSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@H]1CCCC[C@H]1CC(=O)NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001576171738 949777770 /nfs/dbraw/zinc/77/77/70/949777770.db2.gz RNIDEVZIDFONSM-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C(=O)N[C@@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C23CCC3)CCCC1 ZINC001575560214 949779809 /nfs/dbraw/zinc/77/98/09/949779809.db2.gz MRUJTGSCUNWUFO-CHWSQXEVSA-N -1 1 382.472 1.498 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC001574138186 949781682 /nfs/dbraw/zinc/78/16/82/949781682.db2.gz BIXBYXCSGKDZFD-ZIAGYGMSSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC001574138186 949781702 /nfs/dbraw/zinc/78/17/02/949781702.db2.gz BIXBYXCSGKDZFD-ZIAGYGMSSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@H](CC(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)C(F)(F)F ZINC001574481542 949782141 /nfs/dbraw/zinc/78/21/41/949782141.db2.gz RFZZELXVWAVESV-SECBINFHSA-N -1 1 384.366 1.070 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C1C=CC=CC=C1 ZINC001573822365 949786221 /nfs/dbraw/zinc/78/62/21/949786221.db2.gz IBFZCBQEUBMLOG-CQSZACIVSA-N -1 1 380.456 1.898 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C1C=CC=CC=C1 ZINC001573822365 949786231 /nfs/dbraw/zinc/78/62/31/949786231.db2.gz IBFZCBQEUBMLOG-CQSZACIVSA-N -1 1 380.456 1.898 20 0 GDADMM CC(C)C[C@H](C)CC(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001574138776 949798102 /nfs/dbraw/zinc/79/81/02/949798102.db2.gz GJTBQPPICRKRAL-KBPBESRZSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)C[C@H](C)CC(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001574138776 949798127 /nfs/dbraw/zinc/79/81/27/949798127.db2.gz GJTBQPPICRKRAL-KBPBESRZSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1 ZINC001574481861 949804427 /nfs/dbraw/zinc/80/44/27/949804427.db2.gz WKRPKXCPSUXNSJ-ZBFHGGJFSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1 ZINC001574481861 949804451 /nfs/dbraw/zinc/80/44/51/949804451.db2.gz WKRPKXCPSUXNSJ-ZBFHGGJFSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@@H](NC(=O)COc1ccc(F)cc1)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575281507 949813762 /nfs/dbraw/zinc/81/37/62/949813762.db2.gz GVNJGAZLWMUAFN-GHMZBOCLSA-N -1 1 386.391 1.180 20 0 GDADMM C[C@@H](NC(=O)COc1ccc(F)cc1)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575281507 949813782 /nfs/dbraw/zinc/81/37/82/949813782.db2.gz GVNJGAZLWMUAFN-GHMZBOCLSA-N -1 1 386.391 1.180 20 0 GDADMM CC1(C(=O)N[C@@H]2CC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)CC(F)(F)C1 ZINC001575562999 949830874 /nfs/dbraw/zinc/83/08/74/949830874.db2.gz IYAWBCOTPRBILJ-WDEREUQCSA-N -1 1 392.414 1.789 20 0 GDADMM CC1(C(=O)N[C@@H]2CC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)CC(F)(F)C1 ZINC001575562999 949830889 /nfs/dbraw/zinc/83/08/89/949830889.db2.gz IYAWBCOTPRBILJ-WDEREUQCSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@@H]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001576173313 949837771 /nfs/dbraw/zinc/83/77/71/949837771.db2.gz XAEANCAZNXJCTK-KBXIAJHMSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001576173313 949837793 /nfs/dbraw/zinc/83/77/93/949837793.db2.gz XAEANCAZNXJCTK-KBXIAJHMSA-N -1 1 382.472 1.663 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1 ZINC001574141290 949850729 /nfs/dbraw/zinc/85/07/29/949850729.db2.gz SPNPGQBBHZFATK-VDERGJSUSA-N -1 1 384.488 1.955 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1 ZINC001574141290 949850750 /nfs/dbraw/zinc/85/07/50/949850750.db2.gz SPNPGQBBHZFATK-VDERGJSUSA-N -1 1 384.488 1.955 20 0 GDADMM CC1(C(=O)N[C@@H]2CC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)CCOCC1 ZINC001575564569 949860522 /nfs/dbraw/zinc/86/05/22/949860522.db2.gz QKZFDADOOUMJCO-QWHCGFSZSA-N -1 1 386.460 1.170 20 0 GDADMM CC1(C(=O)N[C@@H]2CC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)CCOCC1 ZINC001575564569 949860544 /nfs/dbraw/zinc/86/05/44/949860544.db2.gz QKZFDADOOUMJCO-QWHCGFSZSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccn(C)c2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576177966 949870025 /nfs/dbraw/zinc/87/00/25/949870025.db2.gz AFTZKDNZNZLBAH-DOMZBBRYSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccn(C)c2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576177966 949870044 /nfs/dbraw/zinc/87/00/44/949870044.db2.gz AFTZKDNZNZLBAH-DOMZBBRYSA-N -1 1 381.444 1.348 20 0 GDADMM CC1(C(=O)N[C@@H]2CC[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)CCOCC1 ZINC001575565966 949885832 /nfs/dbraw/zinc/88/58/32/949885832.db2.gz ZEYDHDQLJOALFA-QWHCGFSZSA-N -1 1 386.460 1.170 20 0 GDADMM CC1(C(=O)N[C@@H]2CC[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)CCOCC1 ZINC001575565966 949885850 /nfs/dbraw/zinc/88/58/50/949885850.db2.gz ZEYDHDQLJOALFA-QWHCGFSZSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001574484540 949886549 /nfs/dbraw/zinc/88/65/49/949886549.db2.gz JTJFFTYUJRAWIO-UWVGGRQHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001574484540 949886574 /nfs/dbraw/zinc/88/65/74/949886574.db2.gz JTJFFTYUJRAWIO-UWVGGRQHSA-N -1 1 384.366 1.648 20 0 GDADMM CC1(C(=O)N[C@@H]2CC[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)CC(F)(F)C1 ZINC001575565754 949888861 /nfs/dbraw/zinc/88/88/61/949888861.db2.gz XZAUULKWJIOAIM-WDEREUQCSA-N -1 1 392.414 1.789 20 0 GDADMM CC1(C(=O)N[C@@H]2CC[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)CC(F)(F)C1 ZINC001575565754 949888885 /nfs/dbraw/zinc/88/88/85/949888885.db2.gz XZAUULKWJIOAIM-WDEREUQCSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1)c1ccco1 ZINC001574484683 949895764 /nfs/dbraw/zinc/89/57/64/949895764.db2.gz LZJGXYRXCVTHJJ-CHWSQXEVSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1)c1ccco1 ZINC001574484683 949895785 /nfs/dbraw/zinc/89/57/85/949895785.db2.gz LZJGXYRXCVTHJJ-CHWSQXEVSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccncc2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576178906 949903149 /nfs/dbraw/zinc/90/31/49/949903149.db2.gz DBHIFCJFCVFYEG-IUODEOHRSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccncc2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576178906 949903162 /nfs/dbraw/zinc/90/31/62/949903162.db2.gz DBHIFCJFCVFYEG-IUODEOHRSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@H](CC(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)c1ccccc1 ZINC001574485012 949915362 /nfs/dbraw/zinc/91/53/62/949915362.db2.gz UQORCSCSTPJUEF-OAHLLOKOSA-N -1 1 392.467 1.889 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccco1 ZINC001574485267 949919870 /nfs/dbraw/zinc/91/98/70/949919870.db2.gz VYZKZIHFONOSJN-STQMWFEESA-N -1 1 382.428 1.846 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574485267 949919885 /nfs/dbraw/zinc/91/98/85/949919885.db2.gz VYZKZIHFONOSJN-STQMWFEESA-N -1 1 382.428 1.846 20 0 GDADMM CC1(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CCC(F)(F)CC1 ZINC001575569551 949925948 /nfs/dbraw/zinc/92/59/48/949925948.db2.gz KZNUZJRKBJLPKI-NSHDSACASA-N -1 1 392.414 1.567 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574146283 949942340 /nfs/dbraw/zinc/94/23/40/949942340.db2.gz XIPCMCSKVMROKA-UONOGXRCSA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574146283 949942351 /nfs/dbraw/zinc/94/23/51/949942351.db2.gz XIPCMCSKVMROKA-UONOGXRCSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccco1 ZINC001574488438 949946286 /nfs/dbraw/zinc/94/62/86/949946286.db2.gz GFDXTRAPHDQKMW-YRGRVCCFSA-N -1 1 382.428 1.702 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574488438 949946297 /nfs/dbraw/zinc/94/62/97/949946297.db2.gz GFDXTRAPHDQKMW-YRGRVCCFSA-N -1 1 382.428 1.702 20 0 GDADMM C[C@@H](NC(=O)CN(C)c1ccccc1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575285682 949959444 /nfs/dbraw/zinc/95/94/44/949959444.db2.gz PWCIPXBVSMDNRE-QWHCGFSZSA-N -1 1 381.444 1.098 20 0 GDADMM C[C@@H](NC(=O)CN(C)c1ccccc1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575285682 949959463 /nfs/dbraw/zinc/95/94/63/949959463.db2.gz PWCIPXBVSMDNRE-QWHCGFSZSA-N -1 1 381.444 1.098 20 0 GDADMM CC(C)(C)CC(=O)N1CCC2(C1)CCN(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001573829710 949961988 /nfs/dbraw/zinc/96/19/88/949961988.db2.gz CJBMFNRZKZXHIH-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)(C)CC(=O)N1CCC2(C1)CCN(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001573829710 949962003 /nfs/dbraw/zinc/96/20/03/949962003.db2.gz CJBMFNRZKZXHIH-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC1(C)CN(c2nccnc2-c2nnn[n-]2)C[C@H]1NC(=O)[C@]1(C)CC=CCC1 ZINC001575572637 949979753 /nfs/dbraw/zinc/97/97/53/949979753.db2.gz HWKZTQFHQCCSPG-BFUOFWGJSA-N -1 1 382.472 1.734 20 0 GDADMM CC1(C)CN(c2nccnc2-c2nn[n-]n2)C[C@H]1NC(=O)[C@]1(C)CC=CCC1 ZINC001575572637 949979769 /nfs/dbraw/zinc/97/97/69/949979769.db2.gz HWKZTQFHQCCSPG-BFUOFWGJSA-N -1 1 382.472 1.734 20 0 GDADMM C[C@@H](CC(=O)N[C@]1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccco1 ZINC001574490627 950006599 /nfs/dbraw/zinc/00/65/99/950006599.db2.gz WIHALHAGRYMERV-KPZWWZAWSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](CC(=O)N[C@]1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccco1 ZINC001574490627 950006621 /nfs/dbraw/zinc/00/66/21/950006621.db2.gz WIHALHAGRYMERV-KPZWWZAWSA-N -1 1 382.428 1.529 20 0 GDADMM CC1(C(=O)N[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CC2(C)C)CC(F)(F)C1 ZINC001575574059 950011973 /nfs/dbraw/zinc/01/19/73/950011973.db2.gz RKLQKNGADWXBKM-JTQLQIEISA-N -1 1 392.414 1.423 20 0 GDADMM CC(C)(C)CC(=O)N[C@@H]1CC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001573834048 950013020 /nfs/dbraw/zinc/01/30/20/950013020.db2.gz DVDNEDQPHJLRLZ-MGPQQGTHSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)CC(=O)N[C@@H]1CC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001573834048 950013045 /nfs/dbraw/zinc/01/30/45/950013045.db2.gz DVDNEDQPHJLRLZ-MGPQQGTHSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1cccc(C2CC2)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574729544 950021580 /nfs/dbraw/zinc/02/15/80/950021580.db2.gz OFQHFIDKXZGRKV-ZDUSSCGKSA-N -1 1 392.467 1.458 20 0 GDADMM C[C@@H]1CCN(C(=O)Cc2ccco2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576181994 950030604 /nfs/dbraw/zinc/03/06/04/950030604.db2.gz KESBHNWOSMCACT-OLZOCXBDSA-N -1 1 382.428 1.389 20 0 GDADMM C[C@@H]1CCN(C(=O)Cc2ccco2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576181994 950030626 /nfs/dbraw/zinc/03/06/26/950030626.db2.gz KESBHNWOSMCACT-OLZOCXBDSA-N -1 1 382.428 1.389 20 0 GDADMM C[C@@H](CC(=O)N[C@]1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574491608 950039951 /nfs/dbraw/zinc/03/99/51/950039951.db2.gz DXEAYBHNBHGXCS-VBKZILBWSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@@H](CC(=O)N[C@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001574491947 950048554 /nfs/dbraw/zinc/04/85/54/950048554.db2.gz HGUGLTCTRJBLOW-VBKZILBWSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@@H](CC(=O)N[C@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574491947 950048573 /nfs/dbraw/zinc/04/85/73/950048573.db2.gz HGUGLTCTRJBLOW-VBKZILBWSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H](CC(=O)N[C@@]12CCC[C@@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2)C1CC1 ZINC001574491956 950050441 /nfs/dbraw/zinc/05/04/41/950050441.db2.gz HKXHPILIGIYDAZ-XFHNUULXSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H](CC(=O)N[C@@]12CCC[C@@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2)C1CC1 ZINC001574491956 950050466 /nfs/dbraw/zinc/05/04/66/950050466.db2.gz HKXHPILIGIYDAZ-XFHNUULXSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@@H](CC(=O)NC1(CNc2nccnc2-c2nnn[n-]2)CCOCC1)C1CC1 ZINC001574492115 950063932 /nfs/dbraw/zinc/06/39/32/950063932.db2.gz JKSMTDRISJQTQO-LBPRGKRZSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](CC(=O)NC1(CNc2nccnc2-c2nn[n-]n2)CCOCC1)C1CC1 ZINC001574492115 950063954 /nfs/dbraw/zinc/06/39/54/950063954.db2.gz JKSMTDRISJQTQO-LBPRGKRZSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2cccc(F)c2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575892289 950065940 /nfs/dbraw/zinc/06/59/40/950065940.db2.gz VJZHVSCJMKFRLN-FZMZJTMJSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2cccc(F)c2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575892289 950065956 /nfs/dbraw/zinc/06/59/56/950065956.db2.gz VJZHVSCJMKFRLN-FZMZJTMJSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@@H]1CCN(C(=O)C2=COCCC2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576182878 950068267 /nfs/dbraw/zinc/06/82/67/950068267.db2.gz NTZZIKWTUALKQB-TZMCWYRMSA-N -1 1 384.444 1.248 20 0 GDADMM C[C@@H]1CCN(C(=O)C2=COCCC2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576182878 950068286 /nfs/dbraw/zinc/06/82/86/950068286.db2.gz NTZZIKWTUALKQB-TZMCWYRMSA-N -1 1 384.444 1.248 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(C3CC3)CC2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576183360 950084162 /nfs/dbraw/zinc/08/41/62/950084162.db2.gz QAGDITSSAMSKNY-OLZOCXBDSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(C3CC3)CC2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576183360 950084176 /nfs/dbraw/zinc/08/41/76/950084176.db2.gz QAGDITSSAMSKNY-OLZOCXBDSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2ccoc2Cl)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575893874 950091195 /nfs/dbraw/zinc/09/11/95/950091195.db2.gz BRHDKRMAZSRSRT-MWLCHTKSSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2ccoc2Cl)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575893874 950091214 /nfs/dbraw/zinc/09/12/14/950091214.db2.gz BRHDKRMAZSRSRT-MWLCHTKSSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cncs2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576184044 950113498 /nfs/dbraw/zinc/11/34/98/950113498.db2.gz VKPJNZNBEHWVKS-JQWIXIFHSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cncs2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576184044 950113510 /nfs/dbraw/zinc/11/35/10/950113510.db2.gz VKPJNZNBEHWVKS-JQWIXIFHSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@]1(C(=O)NCC2(Nc3cncc(-c4nnn[n-]4)n3)CCCCC2)CCOC1 ZINC001575583109 950138071 /nfs/dbraw/zinc/13/80/71/950138071.db2.gz OHXLSCAUTQUAEA-QGZVFWFLSA-N -1 1 386.460 1.314 20 0 GDADMM C[C@@]1(C(=O)NCC2(Nc3cncc(-c4nn[n-]n4)n3)CCCCC2)CCOC1 ZINC001575583109 950138083 /nfs/dbraw/zinc/13/80/83/950138083.db2.gz OHXLSCAUTQUAEA-QGZVFWFLSA-N -1 1 386.460 1.314 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001574493918 950146832 /nfs/dbraw/zinc/14/68/32/950146832.db2.gz VHFRQEWWIGFLEQ-STQMWFEESA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001574493918 950146840 /nfs/dbraw/zinc/14/68/40/950146840.db2.gz VHFRQEWWIGFLEQ-STQMWFEESA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccco1 ZINC001574494244 950154324 /nfs/dbraw/zinc/15/43/24/950154324.db2.gz YBPDQRBMMUOVFZ-QWHCGFSZSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574494244 950154336 /nfs/dbraw/zinc/15/43/36/950154336.db2.gz YBPDQRBMMUOVFZ-QWHCGFSZSA-N -1 1 382.428 1.529 20 0 GDADMM CC(C)[C@@H](CNC(=O)C[C@@H](C)c1ccco1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574494617 950173022 /nfs/dbraw/zinc/17/30/22/950173022.db2.gz LYVZTOUPXCGVIX-CHWSQXEVSA-N -1 1 384.444 1.996 20 0 GDADMM CC(C)[C@@H](CNC(=O)C[C@@H](C)c1ccco1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574494617 950173043 /nfs/dbraw/zinc/17/30/43/950173043.db2.gz LYVZTOUPXCGVIX-CHWSQXEVSA-N -1 1 384.444 1.996 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H](C)C(F)(F)F ZINC001574154624 950175675 /nfs/dbraw/zinc/17/56/75/950175675.db2.gz FKUCGUGWWBBSAT-ZJUUUORDSA-N -1 1 386.382 1.798 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H](C)C(F)(F)F ZINC001574154624 950175685 /nfs/dbraw/zinc/17/56/85/950175685.db2.gz FKUCGUGWWBBSAT-ZJUUUORDSA-N -1 1 386.382 1.798 20 0 GDADMM C[C@H](CNC(=O)c1c[nH]nc1C(C)(C)C)CNc1nccnc1-c1nnn[n-]1 ZINC001574982791 950182275 /nfs/dbraw/zinc/18/22/75/950182275.db2.gz HCTXJNRVGSWLRA-JTQLQIEISA-N -1 1 384.448 1.155 20 0 GDADMM C[C@H](CNC(=O)c1c[nH]nc1C(C)(C)C)CNc1nccnc1-c1nn[n-]n1 ZINC001574982791 950182291 /nfs/dbraw/zinc/18/22/91/950182291.db2.gz HCTXJNRVGSWLRA-JTQLQIEISA-N -1 1 384.448 1.155 20 0 GDADMM C[C@H]1CCN(C(=O)c2cncs2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576191483 950200897 /nfs/dbraw/zinc/20/08/97/950200897.db2.gz GWDGCKJOZKNASR-WDEREUQCSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H]1CCN(C(=O)c2cncs2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576191483 950200919 /nfs/dbraw/zinc/20/09/19/950200919.db2.gz GWDGCKJOZKNASR-WDEREUQCSA-N -1 1 385.457 1.324 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573844596 950204521 /nfs/dbraw/zinc/20/45/21/950204521.db2.gz COYSSAKPGOBPFG-HZSPNIEDSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573844596 950204534 /nfs/dbraw/zinc/20/45/34/950204534.db2.gz COYSSAKPGOBPFG-HZSPNIEDSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1(F)CCCCC1 ZINC001574155765 950211672 /nfs/dbraw/zinc/21/16/72/950211672.db2.gz RIXXMKKAZAVFHS-CYBMUJFWSA-N -1 1 390.467 1.694 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C1C=CC=CC=C1 ZINC001574155978 950215975 /nfs/dbraw/zinc/21/59/75/950215975.db2.gz SUZGHWVPYHUUPD-HNNXBMFYSA-N -1 1 380.456 1.898 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C1C=CC=CC=C1 ZINC001574155978 950216000 /nfs/dbraw/zinc/21/60/00/950216000.db2.gz SUZGHWVPYHUUPD-HNNXBMFYSA-N -1 1 380.456 1.898 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccns2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576191983 950219501 /nfs/dbraw/zinc/21/95/01/950219501.db2.gz JHHMDSHKZWIXBM-MNOVXSKESA-N -1 1 385.457 1.324 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccns2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576191983 950219518 /nfs/dbraw/zinc/21/95/18/950219518.db2.gz JHHMDSHKZWIXBM-MNOVXSKESA-N -1 1 385.457 1.324 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CCC(F)(F)F ZINC001574157812 950256028 /nfs/dbraw/zinc/25/60/28/950256028.db2.gz JDOVZNCPDYQZIP-SNVBAGLBSA-N -1 1 386.382 1.942 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CCC(F)(F)F ZINC001574157812 950256036 /nfs/dbraw/zinc/25/60/36/950256036.db2.gz JDOVZNCPDYQZIP-SNVBAGLBSA-N -1 1 386.382 1.942 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)Cc1ccccc1 ZINC001574158322 950277843 /nfs/dbraw/zinc/27/78/43/950277843.db2.gz QTUIVNYKKZFKFJ-OAHLLOKOSA-N -1 1 380.456 1.842 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)Cc1ccccc1 ZINC001574158322 950277866 /nfs/dbraw/zinc/27/78/66/950277866.db2.gz QTUIVNYKKZFKFJ-OAHLLOKOSA-N -1 1 380.456 1.842 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C[C@@](C)(O)C1CC1 ZINC001574159690 950309773 /nfs/dbraw/zinc/30/97/73/950309773.db2.gz XZVYGOLPTAVRCZ-FZKQIMNGSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@@](C)(O)C1CC1 ZINC001574159690 950309796 /nfs/dbraw/zinc/30/97/96/950309796.db2.gz XZVYGOLPTAVRCZ-FZKQIMNGSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)(C)OC(=O)N1CCCC(C)(C)[C@@H]1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001573853199 950323895 /nfs/dbraw/zinc/32/38/95/950323895.db2.gz NYVQWCIHPZNSGX-NSHDSACASA-N -1 1 390.448 1.954 20 0 GDADMM CC(C)(C)OC(=O)N1CCCC(C)(C)[C@@H]1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001573853199 950323911 /nfs/dbraw/zinc/32/39/11/950323911.db2.gz NYVQWCIHPZNSGX-NSHDSACASA-N -1 1 390.448 1.954 20 0 GDADMM CC(C)(C)OC(=O)N1CCC(CCC(=O)Nc2n[nH]cc2-c2nnn[n-]2)CC1 ZINC001573853709 950333424 /nfs/dbraw/zinc/33/34/24/950333424.db2.gz UBKKSODLCQYYEI-UHFFFAOYSA-N -1 1 390.448 1.956 20 0 GDADMM CC(C)(C)OC(=O)N1CCC(CCC(=O)Nc2n[nH]cc2-c2nn[n-]n2)CC1 ZINC001573853709 950333445 /nfs/dbraw/zinc/33/34/45/950333445.db2.gz UBKKSODLCQYYEI-UHFFFAOYSA-N -1 1 390.448 1.956 20 0 GDADMM CC1(C(=O)NC[C@@H]2CN(Cc3ccc(-c4nn[n-]n4)s3)CCO2)CCCC1 ZINC001575594703 950341436 /nfs/dbraw/zinc/34/14/36/950341436.db2.gz LQLGECDJYVSSKP-CYBMUJFWSA-N -1 1 390.513 1.826 20 0 GDADMM C[C@@H]1CCN(C(=O)c2nccs2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576194460 950341898 /nfs/dbraw/zinc/34/18/98/950341898.db2.gz ZBPLVPWKJYXDSH-GHMZBOCLSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@@H]1CCN(C(=O)c2nccs2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576194460 950341914 /nfs/dbraw/zinc/34/19/14/950341914.db2.gz ZBPLVPWKJYXDSH-GHMZBOCLSA-N -1 1 385.457 1.324 20 0 GDADMM CC(C)CC1(C(=O)N2C[C@H](C)[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCC1 ZINC001574162456 950379632 /nfs/dbraw/zinc/37/96/32/950379632.db2.gz AUHSHWMIWNUTKB-UONOGXRCSA-N -1 1 384.488 1.554 20 0 GDADMM C[C@H](CC(=O)NCCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C1CC1 ZINC001574502465 950382465 /nfs/dbraw/zinc/38/24/65/950382465.db2.gz NTRIGIGDGQCCLX-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](CC(=O)NCCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C1CC1 ZINC001574502465 950382490 /nfs/dbraw/zinc/38/24/90/950382490.db2.gz NTRIGIGDGQCCLX-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CSC(C)C ZINC001574162509 950383391 /nfs/dbraw/zinc/38/33/91/950383391.db2.gz CCFAJYYKDFCLRY-GFCCVEGCSA-N -1 1 378.506 1.741 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CSC(C)C ZINC001574162509 950383407 /nfs/dbraw/zinc/38/34/07/950383407.db2.gz CCFAJYYKDFCLRY-GFCCVEGCSA-N -1 1 378.506 1.741 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001573855634 950384335 /nfs/dbraw/zinc/38/43/35/950384335.db2.gz YPXUPVMHSFDRTK-GGAZOKNXSA-N -1 1 382.472 1.280 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H](C)n1cccc1 ZINC001574162498 950384687 /nfs/dbraw/zinc/38/46/87/950384687.db2.gz BYBIPPIDMYFQDW-KBPBESRZSA-N -1 1 383.460 1.662 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H](C)n1cccc1 ZINC001574162498 950384701 /nfs/dbraw/zinc/38/47/01/950384701.db2.gz BYBIPPIDMYFQDW-KBPBESRZSA-N -1 1 383.460 1.662 20 0 GDADMM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)NCCCN2CCN(c3ccccc3)CC2)C1 ZINC000263353131 950393673 /nfs/dbraw/zinc/39/36/73/950393673.db2.gz QFXOFWYKYHDVAF-MSOLQXFVSA-N -1 1 388.512 1.951 20 0 GDADMM CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)[C@@H]2C1 ZINC001573857532 950409838 /nfs/dbraw/zinc/40/98/38/950409838.db2.gz URTOUHXHSPEQAX-GXTWGEPZSA-N -1 1 385.428 1.343 20 0 GDADMM CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)[C@@H]2C1 ZINC001573857532 950409850 /nfs/dbraw/zinc/40/98/50/950409850.db2.gz URTOUHXHSPEQAX-GXTWGEPZSA-N -1 1 385.428 1.343 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@H]1CCCCO1 ZINC001574162888 950410845 /nfs/dbraw/zinc/41/08/45/950410845.db2.gz LIMVXJICOFBGJI-UONOGXRCSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@H]1CCCCO1 ZINC001574162888 950410859 /nfs/dbraw/zinc/41/08/59/950410859.db2.gz LIMVXJICOFBGJI-UONOGXRCSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)c1cc(C(=O)N(C)C[C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)nn1C ZINC001574747768 950416359 /nfs/dbraw/zinc/41/63/59/950416359.db2.gz XAOWEJWVOGSUPJ-LLVKDONJSA-N -1 1 384.448 1.086 20 0 GDADMM CC(C)c1cc(C(=O)N(C)C[C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)nn1C ZINC001574747768 950416367 /nfs/dbraw/zinc/41/63/67/950416367.db2.gz XAOWEJWVOGSUPJ-LLVKDONJSA-N -1 1 384.448 1.086 20 0 GDADMM CC(C)CC1(C(=O)N(CCO)CCNc2ccc(-c3nnn[n-]3)nn2)CCC1 ZINC001574163339 950423781 /nfs/dbraw/zinc/42/37/81/950423781.db2.gz SAOLGYAWTZQBKI-UHFFFAOYSA-N -1 1 388.476 1.106 20 0 GDADMM CC(C)CC1(C(=O)N(CCO)CCNc2ccc(-c3nn[n-]n3)nn2)CCC1 ZINC001574163339 950423796 /nfs/dbraw/zinc/42/37/96/950423796.db2.gz SAOLGYAWTZQBKI-UHFFFAOYSA-N -1 1 388.476 1.106 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574506419 950432790 /nfs/dbraw/zinc/43/27/90/950432790.db2.gz CQIUDNVDCVFCNA-DZKIICNBSA-N -1 1 392.467 1.579 20 0 GDADMM CCN(CC)[C@@H](CNS(=O)(=O)N1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC001589723221 950439293 /nfs/dbraw/zinc/43/92/93/950439293.db2.gz WUHIETVZAFXFBX-KRWDZBQOSA-N -1 1 383.514 1.701 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1n[nH]cc1-c1nnn[n-]1)c1ccccc1 ZINC001573861119 950439758 /nfs/dbraw/zinc/43/97/58/950439758.db2.gz URKXHEMQOUPSPV-GFCCVEGCSA-N -1 1 384.400 1.794 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1n[nH]cc1-c1nn[n-]n1)c1ccccc1 ZINC001573861119 950439774 /nfs/dbraw/zinc/43/97/74/950439774.db2.gz URKXHEMQOUPSPV-GFCCVEGCSA-N -1 1 384.400 1.794 20 0 GDADMM CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cccnc1-c1nn[n-]n1 ZINC001573861628 950453916 /nfs/dbraw/zinc/45/39/16/950453916.db2.gz FHHGFBZITKQCPH-MNOVXSKESA-N -1 1 394.457 1.050 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc2ccccc2n1C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574751637 950462203 /nfs/dbraw/zinc/46/22/03/950462203.db2.gz PPHAVHYOYOUXLW-GFCCVEGCSA-N -1 1 391.439 1.143 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc2c(o1)CCCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574751993 950470327 /nfs/dbraw/zinc/47/03/27/950470327.db2.gz SMDMVUCWHCRGSH-NSHDSACASA-N -1 1 382.428 1.123 20 0 GDADMM CC(C)c1ccc(C(=O)N(C)C[C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)cn1 ZINC001574752303 950479232 /nfs/dbraw/zinc/47/92/32/950479232.db2.gz AKUOPXITAVVGAF-GFCCVEGCSA-N -1 1 381.444 1.170 20 0 GDADMM CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001573864026 950491585 /nfs/dbraw/zinc/49/15/85/950491585.db2.gz WQNNLXKYRNUGCI-VXGBXAGGSA-N -1 1 384.440 1.909 20 0 GDADMM CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001573864026 950491596 /nfs/dbraw/zinc/49/15/96/950491596.db2.gz WQNNLXKYRNUGCI-VXGBXAGGSA-N -1 1 384.440 1.909 20 0 GDADMM CC(C)c1ccc(C(=O)N(C)C[C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)cn1 ZINC001574752985 950507433 /nfs/dbraw/zinc/50/74/33/950507433.db2.gz HTAMFLREFMYFQE-GFCCVEGCSA-N -1 1 381.444 1.748 20 0 GDADMM CC(C)c1ccc(C(=O)N(C)C[C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)cn1 ZINC001574752985 950507449 /nfs/dbraw/zinc/50/74/49/950507449.db2.gz HTAMFLREFMYFQE-GFCCVEGCSA-N -1 1 381.444 1.748 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001574509499 950509149 /nfs/dbraw/zinc/50/91/49/950509149.db2.gz VQYYTHUPXCESMZ-MELADBBJSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574509499 950509173 /nfs/dbraw/zinc/50/91/73/950509173.db2.gz VQYYTHUPXCESMZ-MELADBBJSA-N -1 1 381.444 1.416 20 0 GDADMM CC1(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CC(F)(F)C1 ZINC001575608661 950518399 /nfs/dbraw/zinc/51/83/99/950518399.db2.gz PVNKMCNGXYRPLB-MGCOHNPYSA-N -1 1 378.387 1.399 20 0 GDADMM CC1(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CC(F)(F)C1 ZINC001575608661 950518417 /nfs/dbraw/zinc/51/84/17/950518417.db2.gz PVNKMCNGXYRPLB-MGCOHNPYSA-N -1 1 378.387 1.399 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001573868302 950536787 /nfs/dbraw/zinc/53/67/87/950536787.db2.gz AYSASPQPLPMXHZ-LBPRGKRZSA-N -1 1 376.465 1.415 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001573868302 950536802 /nfs/dbraw/zinc/53/68/02/950536802.db2.gz AYSASPQPLPMXHZ-LBPRGKRZSA-N -1 1 376.465 1.415 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCCC[C@H]1Nc1cncc(-c2nnn[n-]2)n1)n1cccn1 ZINC001574511129 950552324 /nfs/dbraw/zinc/55/23/24/950552324.db2.gz GJOATGOVCHVKTO-MGPQQGTHSA-N -1 1 396.459 1.344 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCCC[C@H]1Nc1cncc(-c2nn[n-]n2)n1)n1cccn1 ZINC001574511129 950552335 /nfs/dbraw/zinc/55/23/35/950552335.db2.gz GJOATGOVCHVKTO-MGPQQGTHSA-N -1 1 396.459 1.344 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)Cc1ccc(F)cc1 ZINC001575917159 950558092 /nfs/dbraw/zinc/55/80/92/950558092.db2.gz UYFKSWKSXZRGSZ-RISCZKNCSA-N -1 1 382.403 1.440 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)Cc1ccc(F)cc1 ZINC001575917159 950558099 /nfs/dbraw/zinc/55/80/99/950558099.db2.gz UYFKSWKSXZRGSZ-RISCZKNCSA-N -1 1 382.403 1.440 20 0 GDADMM CC1(C(=O)N[C@@H]2[C@H]3CN(c4snc(Cl)c4-c4nnn[n-]4)C[C@H]32)CCC1 ZINC001575614979 950560577 /nfs/dbraw/zinc/56/05/77/950560577.db2.gz XPGPUAFPJKFRKI-MBTKJCJQSA-N -1 1 379.877 1.718 20 0 GDADMM CC1(C(=O)N[C@@H]2[C@H]3CN(c4snc(Cl)c4-c4nn[n-]n4)C[C@H]32)CCC1 ZINC001575614979 950560586 /nfs/dbraw/zinc/56/05/86/950560586.db2.gz XPGPUAFPJKFRKI-MBTKJCJQSA-N -1 1 379.877 1.718 20 0 GDADMM C[C@H](CN(C)C(=O)c1cccc(N(C)C)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001574758381 950607936 /nfs/dbraw/zinc/60/79/36/950607936.db2.gz BMJFOSXUOJFZQA-GFCCVEGCSA-N -1 1 381.444 1.295 20 0 GDADMM C[C@H](CN(C)C(=O)c1cccc(N(C)C)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001574758381 950607947 /nfs/dbraw/zinc/60/79/47/950607947.db2.gz BMJFOSXUOJFZQA-GFCCVEGCSA-N -1 1 381.444 1.295 20 0 GDADMM CC(C)(C)OCC(=O)NC[C@H]1CCCCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001573871125 950612565 /nfs/dbraw/zinc/61/25/65/950612565.db2.gz NIHCEXQPJZPFSZ-CYBMUJFWSA-N -1 1 388.476 1.337 20 0 GDADMM CC(C)(C)OCC(=O)NC[C@H]1CCCCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001573871125 950612580 /nfs/dbraw/zinc/61/25/80/950612580.db2.gz NIHCEXQPJZPFSZ-CYBMUJFWSA-N -1 1 388.476 1.337 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)ccc1Cl)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575000898 950619504 /nfs/dbraw/zinc/61/95/04/950619504.db2.gz HXNLIFXXIIOEKJ-SECBINFHSA-N -1 1 390.810 1.349 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)ccc1F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575001164 950621677 /nfs/dbraw/zinc/62/16/77/950621677.db2.gz UMSKKXKAWAQCEF-QMMMGPOBSA-N -1 1 376.783 1.102 20 0 GDADMM CC1(C)C(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1(C)C ZINC001575620737 950636818 /nfs/dbraw/zinc/63/68/18/950636818.db2.gz YUACIDAEMGSBDS-LBPRGKRZSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)CC2)C1(C)C ZINC001575620737 950636834 /nfs/dbraw/zinc/63/68/34/950636834.db2.gz YUACIDAEMGSBDS-LBPRGKRZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccnc(C2CC2)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001574759537 950640436 /nfs/dbraw/zinc/64/04/36/950640436.db2.gz NIJZTJBMQWPZRY-NSHDSACASA-N -1 1 379.428 1.502 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccnc(C2CC2)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001574759537 950640452 /nfs/dbraw/zinc/64/04/52/950640452.db2.gz NIJZTJBMQWPZRY-NSHDSACASA-N -1 1 379.428 1.502 20 0 GDADMM CCN1CCN(c2ccc(-c3noc(-c4cnc(C(=O)[O-])cn4)n3)cn2)CC1 ZINC001589744238 950645058 /nfs/dbraw/zinc/64/50/58/950645058.db2.gz JBQLZRODXWJURU-UHFFFAOYSA-N -1 1 381.396 1.429 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)ccc1Cl)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575001909 950646087 /nfs/dbraw/zinc/64/60/87/950646087.db2.gz ORMQDNQITPQTFW-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)ccc1Cl)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575001909 950646101 /nfs/dbraw/zinc/64/61/01/950646101.db2.gz ORMQDNQITPQTFW-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)cs1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575001931 950646796 /nfs/dbraw/zinc/64/67/96/950646796.db2.gz PMJHPFIGHAQGIE-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)cs1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575001931 950646811 /nfs/dbraw/zinc/64/68/11/950646811.db2.gz PMJHPFIGHAQGIE-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccc2c(c1)COC2 ZINC001575922783 950651261 /nfs/dbraw/zinc/65/12/61/950651261.db2.gz ANXNVCHWLXYACP-NHYWBVRUSA-N -1 1 392.423 1.402 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccc2c(c1)COC2 ZINC001575922783 950651271 /nfs/dbraw/zinc/65/12/71/950651271.db2.gz ANXNVCHWLXYACP-NHYWBVRUSA-N -1 1 392.423 1.402 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)CC(C)(C)C ZINC001574518387 950655944 /nfs/dbraw/zinc/65/59/44/950655944.db2.gz OISOUZKVYBNJQD-FJZAXULXSA-N -1 1 384.488 1.670 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)CC(C)(C)C ZINC001574518387 950655963 /nfs/dbraw/zinc/65/59/63/950655963.db2.gz OISOUZKVYBNJQD-FJZAXULXSA-N -1 1 384.488 1.670 20 0 GDADMM CC(C)CCC(=O)N1C[C@@]2(C)CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@]2(C)C1 ZINC001574176401 950676655 /nfs/dbraw/zinc/67/66/55/950676655.db2.gz VMJUWFCJSWJTBA-KDURUIRLSA-N -1 1 384.488 1.768 20 0 GDADMM CC1CCN(c2ccc(C(=O)NCCn3cnc(-c4nn[n-]n4)n3)cc2)CC1 ZINC001576214627 950678749 /nfs/dbraw/zinc/67/87/49/950678749.db2.gz RGAKFHQELUJUTH-UHFFFAOYSA-N -1 1 381.444 1.125 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573877452 950688798 /nfs/dbraw/zinc/68/87/98/950688798.db2.gz AZPUEDZELTUJNQ-ZIAGYGMSSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573877452 950688815 /nfs/dbraw/zinc/68/88/15/950688815.db2.gz AZPUEDZELTUJNQ-ZIAGYGMSSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)c1ccccc1 ZINC001574519766 950695372 /nfs/dbraw/zinc/69/53/72/950695372.db2.gz YNMXWBUBRHKOQA-TXPWEPMLSA-N -1 1 390.451 1.401 20 0 GDADMM CC1(C)CC(C(=O)N2CCC[C@@H]3[C@H]2CCN3c2nccnc2-c2nnn[n-]2)C1 ZINC001575625821 950696759 /nfs/dbraw/zinc/69/67/59/950696759.db2.gz XFNMJSAGYHHSAC-ZIAGYGMSSA-N -1 1 382.472 1.663 20 0 GDADMM CC1(C)CC(C(=O)N2CCC[C@@H]3[C@H]2CCN3c2nccnc2-c2nn[n-]n2)C1 ZINC001575625821 950696775 /nfs/dbraw/zinc/69/67/75/950696775.db2.gz XFNMJSAGYHHSAC-ZIAGYGMSSA-N -1 1 382.472 1.663 20 0 GDADMM CC1(C)CC(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575625751 950697439 /nfs/dbraw/zinc/69/74/39/950697439.db2.gz VXJLEHUQYREPSJ-OKILXGFUSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cccc2c1OCC2 ZINC001575926134 950700541 /nfs/dbraw/zinc/70/05/41/950700541.db2.gz IWDFIKHSOYGFRR-RISCZKNCSA-N -1 1 392.423 1.307 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cccc2c1OCC2 ZINC001575926134 950700558 /nfs/dbraw/zinc/70/05/58/950700558.db2.gz IWDFIKHSOYGFRR-RISCZKNCSA-N -1 1 392.423 1.307 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576215818 950708642 /nfs/dbraw/zinc/70/86/42/950708642.db2.gz BNFAGTJVIBNFQQ-ZJUUUORDSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576215818 950708654 /nfs/dbraw/zinc/70/86/54/950708654.db2.gz BNFAGTJVIBNFQQ-ZJUUUORDSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576215817 950710199 /nfs/dbraw/zinc/71/01/99/950710199.db2.gz BNFAGTJVIBNFQQ-VHSXEESVSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576215817 950710216 /nfs/dbraw/zinc/71/02/16/950710216.db2.gz BNFAGTJVIBNFQQ-VHSXEESVSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)COc1ccccc1 ZINC001575926423 950710854 /nfs/dbraw/zinc/71/08/54/950710854.db2.gz JWPFGTVFSXKPSN-TZMCWYRMSA-N -1 1 380.412 1.137 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)COc1ccccc1 ZINC001575926423 950710870 /nfs/dbraw/zinc/71/08/70/950710870.db2.gz JWPFGTVFSXKPSN-TZMCWYRMSA-N -1 1 380.412 1.137 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001573878583 950713049 /nfs/dbraw/zinc/71/30/49/950713049.db2.gz VJLTYOBJZRJQHV-XJFOESAGSA-N -1 1 382.472 1.234 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001573878583 950713058 /nfs/dbraw/zinc/71/30/58/950713058.db2.gz VJLTYOBJZRJQHV-XJFOESAGSA-N -1 1 382.472 1.234 20 0 GDADMM C[C@@H](CC(=O)c1cccs1)NS(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001574520093 950713077 /nfs/dbraw/zinc/71/30/77/950713077.db2.gz LMYBGPXXQPKGBS-QMMMGPOBSA-N -1 1 383.480 1.930 20 0 GDADMM C[C@@H](CNC(=O)c1cc2ccccc2n1C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575006285 950722384 /nfs/dbraw/zinc/72/23/84/950722384.db2.gz UWHMBXDUXSHNIZ-LBPRGKRZSA-N -1 1 391.439 1.403 20 0 GDADMM C[C@@H](CNC(=O)c1cc2ccccc2n1C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575006285 950722399 /nfs/dbraw/zinc/72/23/99/950722399.db2.gz UWHMBXDUXSHNIZ-LBPRGKRZSA-N -1 1 391.439 1.403 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CCCC2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576217056 950754959 /nfs/dbraw/zinc/75/49/59/950754959.db2.gz GLQICZQJFUIDHQ-JQWIXIFHSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CCCC2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576217056 950754962 /nfs/dbraw/zinc/75/49/62/950754962.db2.gz GLQICZQJFUIDHQ-JQWIXIFHSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cc(C2CC2)on1 ZINC001575927795 950757180 /nfs/dbraw/zinc/75/71/80/950757180.db2.gz UNZWMSGHNWGNFT-MWLCHTKSSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cc(C2CC2)on1 ZINC001575927795 950757192 /nfs/dbraw/zinc/75/71/92/950757192.db2.gz UNZWMSGHNWGNFT-MWLCHTKSSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)COC1CCCCC1 ZINC001575927828 950759504 /nfs/dbraw/zinc/75/95/04/950759504.db2.gz VCSQDEOFTIFWKZ-TZMCWYRMSA-N -1 1 386.460 1.407 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)COC1CCCCC1 ZINC001575927828 950759515 /nfs/dbraw/zinc/75/95/15/950759515.db2.gz VCSQDEOFTIFWKZ-TZMCWYRMSA-N -1 1 386.460 1.407 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccc(CF)cc1 ZINC001575927946 950763142 /nfs/dbraw/zinc/76/31/42/950763142.db2.gz WMOKDGQUJXINIM-FZMZJTMJSA-N -1 1 382.403 1.841 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccc(CF)cc1 ZINC001575927946 950763164 /nfs/dbraw/zinc/76/31/64/950763164.db2.gz WMOKDGQUJXINIM-FZMZJTMJSA-N -1 1 382.403 1.841 20 0 GDADMM CC(C)(C)c1nc[nH]c1C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573884307 950792924 /nfs/dbraw/zinc/79/29/24/950792924.db2.gz COFCXBNIGWGRIQ-JTQLQIEISA-N -1 1 382.432 1.004 20 0 GDADMM CC(C)(C)c1nc[nH]c1C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573884307 950792939 /nfs/dbraw/zinc/79/29/39/950792939.db2.gz COFCXBNIGWGRIQ-JTQLQIEISA-N -1 1 382.432 1.004 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCc1cncs1 ZINC001575930627 950794807 /nfs/dbraw/zinc/79/48/07/950794807.db2.gz FNDVVQFXGJDKTH-CMPLNLGQSA-N -1 1 385.457 1.147 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1cncs1 ZINC001575930627 950794816 /nfs/dbraw/zinc/79/48/16/950794816.db2.gz FNDVVQFXGJDKTH-CMPLNLGQSA-N -1 1 385.457 1.147 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cc(C2CC2)no1 ZINC001575930217 950796079 /nfs/dbraw/zinc/79/60/79/950796079.db2.gz FBNYXTDVJSMQLI-KOLCDFICSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(C2CC2)no1 ZINC001575930217 950796093 /nfs/dbraw/zinc/79/60/93/950796093.db2.gz FBNYXTDVJSMQLI-KOLCDFICSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)CC[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576219434 950806048 /nfs/dbraw/zinc/80/60/48/950806048.db2.gz NQALXSVZVXPOAJ-MNOVXSKESA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)CC[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576219434 950806078 /nfs/dbraw/zinc/80/60/78/950806078.db2.gz NQALXSVZVXPOAJ-MNOVXSKESA-N -1 1 392.414 1.741 20 0 GDADMM CC1(C)CC(CC(=O)NCC2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001575633653 950817174 /nfs/dbraw/zinc/81/71/74/950817174.db2.gz TVBCFAIYTUQXJP-UHFFFAOYSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C)CC(CC(=O)NCC2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001575633653 950817193 /nfs/dbraw/zinc/81/71/93/950817193.db2.gz TVBCFAIYTUQXJP-UHFFFAOYSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C)C[C@@H](NC(=O)[C@H]2CC2(F)F)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575638397 950827422 /nfs/dbraw/zinc/82/74/22/950827422.db2.gz BHKZSOJWZOUWAK-WDEREUQCSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cncc(Cl)c1 ZINC001575932291 950829555 /nfs/dbraw/zinc/82/95/55/950829555.db2.gz LOMQZEADJOVCKT-SKDRFNHKSA-N -1 1 385.819 1.420 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cncc(Cl)c1 ZINC001575932291 950829579 /nfs/dbraw/zinc/82/95/79/950829579.db2.gz LOMQZEADJOVCKT-SKDRFNHKSA-N -1 1 385.819 1.420 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)CC(C)(C)C1 ZINC001575638483 950831423 /nfs/dbraw/zinc/83/14/23/950831423.db2.gz DTLKPKZBDQMCTA-QWHCGFSZSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)CC(C)(C)C1 ZINC001575638483 950831443 /nfs/dbraw/zinc/83/14/43/950831443.db2.gz DTLKPKZBDQMCTA-QWHCGFSZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576220551 950837184 /nfs/dbraw/zinc/83/71/84/950837184.db2.gz RMLWRUHSXSEULB-QWRGUYRKSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576220551 950837208 /nfs/dbraw/zinc/83/72/08/950837208.db2.gz RMLWRUHSXSEULB-QWRGUYRKSA-N -1 1 392.414 1.599 20 0 GDADMM CC(C)CCCC(=O)N1CC[C@@H]2[C@H](CCN2c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574188248 950849485 /nfs/dbraw/zinc/84/94/85/950849485.db2.gz VSLONKQXHRGXJH-GDBMZVCRSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CCCC(=O)N1CC[C@@H]2[C@H](CCN2c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574188248 950849503 /nfs/dbraw/zinc/84/95/03/950849503.db2.gz VSLONKQXHRGXJH-GDBMZVCRSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CCCC(=O)N[C@@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001574189232 950870778 /nfs/dbraw/zinc/87/07/78/950870778.db2.gz GHCXISRTXDYEQC-OAHLLOKOSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CCCC(=O)N[C@@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001574189232 950870787 /nfs/dbraw/zinc/87/07/87/950870787.db2.gz GHCXISRTXDYEQC-OAHLLOKOSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(CC(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001573893448 950882844 /nfs/dbraw/zinc/88/28/44/950882844.db2.gz GNEQVNJDBUPJNZ-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)(CC(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573893448 950882860 /nfs/dbraw/zinc/88/28/60/950882860.db2.gz GNEQVNJDBUPJNZ-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ncc(Cl)s1 ZINC001575935797 950898659 /nfs/dbraw/zinc/89/86/59/950898659.db2.gz YWQGXYDSWNNAJB-HTQZYQBOSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ncc(Cl)s1 ZINC001575935797 950898677 /nfs/dbraw/zinc/89/86/77/950898677.db2.gz YWQGXYDSWNNAJB-HTQZYQBOSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ncoc1C(C)(C)C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574768896 950905106 /nfs/dbraw/zinc/90/51/06/950905106.db2.gz XDURRBCPAQUTIN-JTQLQIEISA-N -1 1 385.432 1.515 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ncoc1C(C)(C)C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574768896 950905122 /nfs/dbraw/zinc/90/51/22/950905122.db2.gz XDURRBCPAQUTIN-JTQLQIEISA-N -1 1 385.432 1.515 20 0 GDADMM CC(C)(CC(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1)C1CC1 ZINC001573895400 950938435 /nfs/dbraw/zinc/93/84/35/950938435.db2.gz AEXRUYBYNQYTLW-BETUJISGSA-N -1 1 382.472 1.378 20 0 GDADMM CC(C)(CC(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1)C1CC1 ZINC001573895400 950938458 /nfs/dbraw/zinc/93/84/58/950938458.db2.gz AEXRUYBYNQYTLW-BETUJISGSA-N -1 1 382.472 1.378 20 0 GDADMM CC1(C)C[C@@H](NC(=O)c2ccoc2)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575642563 950945984 /nfs/dbraw/zinc/94/59/84/950945984.db2.gz VVRSTJGUXLLMRR-ZDUSSCGKSA-N -1 1 382.428 1.675 20 0 GDADMM CC1(C)C[C@@H](NC(=O)c2ccoc2)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575642563 950946000 /nfs/dbraw/zinc/94/60/00/950946000.db2.gz VVRSTJGUXLLMRR-ZDUSSCGKSA-N -1 1 382.428 1.675 20 0 GDADMM C[C@H]1CN(C(=O)C2(CF)CCC2)CC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576228600 950948249 /nfs/dbraw/zinc/94/82/49/950948249.db2.gz HVYPXTLEQMAVDL-STQMWFEESA-N -1 1 388.451 1.693 20 0 GDADMM C[C@H]1CN(C(=O)C2(CF)CCC2)CC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576228600 950948264 /nfs/dbraw/zinc/94/82/64/950948264.db2.gz HVYPXTLEQMAVDL-STQMWFEESA-N -1 1 388.451 1.693 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N1CC[C@]2(C1)CCCN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001575643305 950964223 /nfs/dbraw/zinc/96/42/23/950964223.db2.gz LFJJQGMBDMUNNP-BFUOFWGJSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)COCC1CCCC1 ZINC001575938854 950990998 /nfs/dbraw/zinc/99/09/98/950990998.db2.gz OUBUKBYGVSYXEB-GXTWGEPZSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)COCC1CCCC1 ZINC001575938854 950991013 /nfs/dbraw/zinc/99/10/13/950991013.db2.gz OUBUKBYGVSYXEB-GXTWGEPZSA-N -1 1 386.460 1.265 20 0 GDADMM CC(C)c1ccc(C(=O)NC[C@H](C)CNc2cnc(-c3nnn[n-]3)cn2)cn1 ZINC001575017460 950996201 /nfs/dbraw/zinc/99/62/01/950996201.db2.gz GPQCAXHZKWOLMT-GFCCVEGCSA-N -1 1 381.444 1.653 20 0 GDADMM CC(C)c1ccc(C(=O)NC[C@H](C)CNc2cnc(-c3nn[n-]n3)cn2)cn1 ZINC001575017460 950996207 /nfs/dbraw/zinc/99/62/07/950996207.db2.gz GPQCAXHZKWOLMT-GFCCVEGCSA-N -1 1 381.444 1.653 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(S(C)(=O)=O)cc1 ZINC001575018876 951028435 /nfs/dbraw/zinc/02/84/35/951028435.db2.gz RDEGAJVOHRCZTF-NSHDSACASA-N -1 1 386.437 1.199 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(S(C)(=O)=O)cc1 ZINC001575018876 951028450 /nfs/dbraw/zinc/02/84/50/951028450.db2.gz RDEGAJVOHRCZTF-NSHDSACASA-N -1 1 386.437 1.199 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)F)cc1F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575019014 951031975 /nfs/dbraw/zinc/03/19/75/951031975.db2.gz PHQAUOVWRKWUBJ-QMMMGPOBSA-N -1 1 392.345 1.964 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)F)cc1F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575019014 951031988 /nfs/dbraw/zinc/03/19/88/951031988.db2.gz PHQAUOVWRKWUBJ-QMMMGPOBSA-N -1 1 392.345 1.964 20 0 GDADMM C[C@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000323486575 951047693 /nfs/dbraw/zinc/04/76/93/951047693.db2.gz BXXNTLDTPCHLIR-INIZCTEOSA-N -1 1 395.525 1.482 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)c(Cl)c1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575021173 951059003 /nfs/dbraw/zinc/05/90/03/951059003.db2.gz BMHDEYPCEUZOAC-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)c(Cl)c1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575021173 951059017 /nfs/dbraw/zinc/05/90/17/951059017.db2.gz BMHDEYPCEUZOAC-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C2CC2)cc1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575023256 951075713 /nfs/dbraw/zinc/07/57/13/951075713.db2.gz LOPITPLWHKODLF-GFCCVEGCSA-N -1 1 378.440 1.789 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)c(F)c1F)Nc1nccnc1-c1nnn[n-]1 ZINC001575023860 951084992 /nfs/dbraw/zinc/08/49/92/951084992.db2.gz RAWPCLPSCSMATN-SSDOTTSWSA-N -1 1 378.318 1.304 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)c(F)c1F)Nc1nccnc1-c1nn[n-]n1 ZINC001575023860 951085011 /nfs/dbraw/zinc/08/50/11/951085011.db2.gz RAWPCLPSCSMATN-SSDOTTSWSA-N -1 1 378.318 1.304 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)s1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575023977 951089345 /nfs/dbraw/zinc/08/93/45/951089345.db2.gz UKVPQRIHECTZEG-MRVPVSSYSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)s1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575023977 951089358 /nfs/dbraw/zinc/08/93/58/951089358.db2.gz UKVPQRIHECTZEG-MRVPVSSYSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)cc1F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575024109 951091330 /nfs/dbraw/zinc/09/13/30/951091330.db2.gz VIRHLSCHZCNIAP-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)cc1F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575024109 951091343 /nfs/dbraw/zinc/09/13/43/951091343.db2.gz VIRHLSCHZCNIAP-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)C[C@H](C)O2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575024479 951103760 /nfs/dbraw/zinc/10/37/60/951103760.db2.gz FMJBVFAKJHGRAC-QWRGUYRKSA-N -1 1 380.412 1.211 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)C[C@H](C)O2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575024479 951103773 /nfs/dbraw/zinc/10/37/73/951103773.db2.gz FMJBVFAKJHGRAC-QWRGUYRKSA-N -1 1 380.412 1.211 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)cc1Cl)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575024452 951104642 /nfs/dbraw/zinc/10/46/42/951104642.db2.gz DYYJYDGOTGPUMV-QMMMGPOBSA-N -1 1 376.783 1.102 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCC=C2)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575024750 951115110 /nfs/dbraw/zinc/11/51/10/951115110.db2.gz LXPLRYQBNALQRF-ZDUSSCGKSA-N -1 1 390.451 1.871 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCC=C2)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575024750 951115115 /nfs/dbraw/zinc/11/51/15/951115115.db2.gz LXPLRYQBNALQRF-ZDUSSCGKSA-N -1 1 390.451 1.871 20 0 GDADMM C[C@H](CNC(=O)c1ccc2[nH]ccc2n1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575024959 951121025 /nfs/dbraw/zinc/12/10/25/951121025.db2.gz QNESPGUDYFNWOV-JTQLQIEISA-N -1 1 378.400 1.011 20 0 GDADMM C[C@H](CNC(=O)c1ccc2[nH]ccc2n1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575024959 951121035 /nfs/dbraw/zinc/12/10/35/951121035.db2.gz QNESPGUDYFNWOV-JTQLQIEISA-N -1 1 378.400 1.011 20 0 GDADMM C[C@H](CNC(=O)c1cccc(C(F)(F)F)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001575026214 951140140 /nfs/dbraw/zinc/14/01/40/951140140.db2.gz GSUNAXHUJRATNO-SECBINFHSA-N -1 1 392.345 1.906 20 0 GDADMM C[C@H](CNC(=O)c1cccc(C(F)(F)F)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001575026214 951140153 /nfs/dbraw/zinc/14/01/53/951140153.db2.gz GSUNAXHUJRATNO-SECBINFHSA-N -1 1 392.345 1.906 20 0 GDADMM C[C@H](CNC(=O)c1cccc2c1CCC2)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575026954 951150543 /nfs/dbraw/zinc/15/05/43/951150543.db2.gz BJBHUNBWSDSUGQ-LBPRGKRZSA-N -1 1 378.440 1.623 20 0 GDADMM C[C@H](CNC(=O)c1cccc2c1CCC2)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575026954 951150548 /nfs/dbraw/zinc/15/05/48/951150548.db2.gz BJBHUNBWSDSUGQ-LBPRGKRZSA-N -1 1 378.440 1.623 20 0 GDADMM C[C@H](CNC(=O)c1ccc2cnccc2c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575027504 951157173 /nfs/dbraw/zinc/15/71/73/951157173.db2.gz QXPMXDDBLPOCBN-LLVKDONJSA-N -1 1 375.396 1.435 20 0 GDADMM C[C@H](CNC(=O)c1ccc2cnccc2c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575027504 951157178 /nfs/dbraw/zinc/15/71/78/951157178.db2.gz QXPMXDDBLPOCBN-LLVKDONJSA-N -1 1 375.396 1.435 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2c1CCC2)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575028596 951176550 /nfs/dbraw/zinc/17/65/50/951176550.db2.gz OOBYHROQKVQXBY-LBPRGKRZSA-N -1 1 378.440 1.400 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2c1CCC2)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575028596 951176557 /nfs/dbraw/zinc/17/65/57/951176557.db2.gz OOBYHROQKVQXBY-LBPRGKRZSA-N -1 1 378.440 1.400 20 0 GDADMM C[C@H](CNC(=O)c1cccc2c1O[C@@H](C)C2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575030038 951192096 /nfs/dbraw/zinc/19/20/96/951192096.db2.gz ZINXQMPJNLRSCC-MNOVXSKESA-N -1 1 380.412 1.211 20 0 GDADMM C[C@H](CNC(=O)c1cccc2c1O[C@@H](C)C2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575030038 951192104 /nfs/dbraw/zinc/19/21/04/951192104.db2.gz ZINXQMPJNLRSCC-MNOVXSKESA-N -1 1 380.412 1.211 20 0 GDADMM CCOc1ccc(NC(=O)CN2C[C@@H](C(=O)[O-])C3(CC(C(=O)OC)C3)C2)cc1 ZINC001592691557 951350927 /nfs/dbraw/zinc/35/09/27/951350927.db2.gz MFMIGTOULOPTOK-FOCKTWCOSA-N -1 1 390.436 1.610 20 0 GDADMM C[C@H](CNC(=O)c1cnc(C2CC2)s1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575043577 951400937 /nfs/dbraw/zinc/40/09/37/951400937.db2.gz KGRILHNTXLQGMZ-SECBINFHSA-N -1 1 385.457 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1cnc(C2CC2)s1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575044356 951413753 /nfs/dbraw/zinc/41/37/53/951413753.db2.gz RJZWSHOVQASKLD-VIFPVBQESA-N -1 1 385.457 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1cnc(C2CC2)s1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575044356 951413760 /nfs/dbraw/zinc/41/37/60/951413760.db2.gz RJZWSHOVQASKLD-VIFPVBQESA-N -1 1 385.457 1.245 20 0 GDADMM CC(C)c1ncncc1C(=O)NC[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575046811 951448465 /nfs/dbraw/zinc/44/84/65/951448465.db2.gz TTYYEXCGRSEYEZ-NSHDSACASA-N -1 1 382.432 1.048 20 0 GDADMM CC(C)c1ncncc1C(=O)NC[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575046811 951448474 /nfs/dbraw/zinc/44/84/74/951448474.db2.gz TTYYEXCGRSEYEZ-NSHDSACASA-N -1 1 382.432 1.048 20 0 GDADMM C[C@H](CNC(=O)c1cnsn1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575053228 951476344 /nfs/dbraw/zinc/47/63/44/951476344.db2.gz AMHNEHZIZRDFDU-RXMQYKEDSA-N -1 1 385.866 1.306 20 0 GDADMM C[C@H](CNC(=O)c1cnsn1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575053228 951476351 /nfs/dbraw/zinc/47/63/51/951476351.db2.gz AMHNEHZIZRDFDU-RXMQYKEDSA-N -1 1 385.866 1.306 20 0 GDADMM C[C@@H](CNC(=O)c1nc(Cl)cs1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575060680 951545369 /nfs/dbraw/zinc/54/53/69/951545369.db2.gz CTDMBMJHSVXHBC-SSDOTTSWSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1nc(Cl)cs1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575060680 951545376 /nfs/dbraw/zinc/54/53/76/951545376.db2.gz CTDMBMJHSVXHBC-SSDOTTSWSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@H](CNC(=O)c1nc(C(C)(C)C)cs1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575060766 951547165 /nfs/dbraw/zinc/54/71/65/951547165.db2.gz GEOASOKVUUONJT-SECBINFHSA-N -1 1 387.473 1.063 20 0 GDADMM C[C@@H](CNC(=O)c1csnn1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575062501 951567652 /nfs/dbraw/zinc/56/76/52/951567652.db2.gz WWYAKYAGKPDMIE-YFKPBYRVSA-N -1 1 385.866 1.306 20 0 GDADMM C[C@H](CNC(=O)c1ocnc1C(F)F)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575066026 951592890 /nfs/dbraw/zinc/59/28/90/951592890.db2.gz JRTYINUEJAIIQS-ZETCQYMHSA-N -1 1 379.331 1.060 20 0 GDADMM C[C@H](CNC(=O)c1ocnc1C(F)F)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575066026 951592900 /nfs/dbraw/zinc/59/29/00/951592900.db2.gz JRTYINUEJAIIQS-ZETCQYMHSA-N -1 1 379.331 1.060 20 0 GDADMM C[C@@H](CNC(=O)c1ncccc1[O-])CNc1ncc(-c2nn[nH]n2)cc1Cl ZINC001575068282 951634528 /nfs/dbraw/zinc/63/45/28/951634528.db2.gz ZJVMCYGRHFKCEV-SECBINFHSA-N -1 1 388.819 1.494 20 0 GDADMM C[C@H](CNC(=O)c1scnc1C(C)(C)C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575069372 951643827 /nfs/dbraw/zinc/64/38/27/951643827.db2.gz IECSGERORWYXPX-SECBINFHSA-N -1 1 387.473 1.641 20 0 GDADMM C[C@H](CNC(=O)c1scnc1C(C)(C)C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575069372 951643832 /nfs/dbraw/zinc/64/38/32/951643832.db2.gz IECSGERORWYXPX-SECBINFHSA-N -1 1 387.473 1.641 20 0 GDADMM O=C([O-])CN1CCC[C@H](C(=O)NCc2ccc(Nc3ccncc3)cc2)C1=O ZINC001595082323 951695288 /nfs/dbraw/zinc/69/52/88/951695288.db2.gz GWSKXBBWBGUKMM-QGZVFWFLSA-N -1 1 382.420 1.187 20 0 GDADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)c1ccccc1F)C1CC1 ZINC001575128806 952073612 /nfs/dbraw/zinc/07/36/12/952073612.db2.gz MNZDKMRPRYABJP-GOSISDBHSA-N -1 1 382.403 1.806 20 0 GDADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)c1ccccc1F)C1CC1 ZINC001575128806 952073618 /nfs/dbraw/zinc/07/36/18/952073618.db2.gz MNZDKMRPRYABJP-GOSISDBHSA-N -1 1 382.403 1.806 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)CC[C@H]1CC(C)(C)CO1 ZINC001575134779 952113797 /nfs/dbraw/zinc/11/37/97/952113797.db2.gz PCLNOBLXAKKIJK-STQMWFEESA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)CC[C@H]1CC(C)(C)CO1 ZINC001575134779 952113808 /nfs/dbraw/zinc/11/38/08/952113808.db2.gz PCLNOBLXAKKIJK-STQMWFEESA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@H]1CCCC(F)(F)C1 ZINC001575135888 952122333 /nfs/dbraw/zinc/12/23/33/952122333.db2.gz SXWHJHMNSHGXER-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@H]1CCCC(F)(F)C1 ZINC001575135888 952122338 /nfs/dbraw/zinc/12/23/38/952122338.db2.gz SXWHJHMNSHGXER-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)C[C@H]1CCC(C)(C)CO1 ZINC001575136509 952126181 /nfs/dbraw/zinc/12/61/81/952126181.db2.gz VZBYVQZPZNEYHM-CHWSQXEVSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)C[C@H]1CCC(C)(C)CO1 ZINC001575136509 952126185 /nfs/dbraw/zinc/12/61/85/952126185.db2.gz VZBYVQZPZNEYHM-CHWSQXEVSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)CC(C)(C)C(F)(F)F ZINC001575136966 952131673 /nfs/dbraw/zinc/13/16/73/952131673.db2.gz YLZOJWBXMIEPJA-VIFPVBQESA-N -1 1 386.382 1.894 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)CC(C)(C)C(F)(F)F ZINC001575136966 952131678 /nfs/dbraw/zinc/13/16/78/952131678.db2.gz YLZOJWBXMIEPJA-VIFPVBQESA-N -1 1 386.382 1.894 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H]1CCc2cccnc21 ZINC001575136990 952133051 /nfs/dbraw/zinc/13/30/51/952133051.db2.gz YWOBQIMKIDDOGA-DGCLKSJQSA-N -1 1 379.428 1.041 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H]1CCc2cccnc21 ZINC001575136990 952133055 /nfs/dbraw/zinc/13/30/55/952133055.db2.gz YWOBQIMKIDDOGA-DGCLKSJQSA-N -1 1 379.428 1.041 20 0 GDADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)[C@H]1CCC(F)(F)C1)C1CC1 ZINC001575137458 952138721 /nfs/dbraw/zinc/13/87/21/952138721.db2.gz ZMTPNPLAPCIVGU-MGPLVRAMSA-N -1 1 392.414 1.211 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc2occc2s1 ZINC001575144801 952172414 /nfs/dbraw/zinc/17/24/14/952172414.db2.gz LUAGUWYFGFYNEF-SECBINFHSA-N -1 1 384.425 1.459 20 0 GDADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)c1ccccc1O)C1CC1 ZINC001575154399 952221197 /nfs/dbraw/zinc/22/11/97/952221197.db2.gz RKZGNUQPBZFLEO-GOSISDBHSA-N -1 1 380.412 1.373 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@]1(C)CCc2ccccc21 ZINC001575154393 952221968 /nfs/dbraw/zinc/22/19/68/952221968.db2.gz RJLVGSXLNPWDOS-XCLFUZPHSA-N -1 1 392.467 1.820 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@]1(C)CCc2ccccc21 ZINC001575154393 952221976 /nfs/dbraw/zinc/22/19/76/952221976.db2.gz RJLVGSXLNPWDOS-XCLFUZPHSA-N -1 1 392.467 1.820 20 0 GDADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)CCc1ccccc1)C1CC1 ZINC001575154375 952222275 /nfs/dbraw/zinc/22/22/75/952222275.db2.gz RHYFVKZRXRSCGA-HXUWFJFHSA-N -1 1 392.467 1.986 20 0 GDADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)CCc1ccccc1)C1CC1 ZINC001575154375 952222284 /nfs/dbraw/zinc/22/22/84/952222284.db2.gz RHYFVKZRXRSCGA-HXUWFJFHSA-N -1 1 392.467 1.986 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H](F)Cc1ccccc1 ZINC001575155019 952233965 /nfs/dbraw/zinc/23/39/65/952233965.db2.gz JOACUZKYMNOUED-GXTWGEPZSA-N -1 1 384.419 1.496 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H](F)Cc1ccccc1 ZINC001575155019 952233969 /nfs/dbraw/zinc/23/39/69/952233969.db2.gz JOACUZKYMNOUED-GXTWGEPZSA-N -1 1 384.419 1.496 20 0 GDADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)c1ccc(F)cn1)C1CC1 ZINC001575155546 952241757 /nfs/dbraw/zinc/24/17/57/952241757.db2.gz MWSGZXJOYXCABV-QGZVFWFLSA-N -1 1 383.391 1.201 20 0 GDADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)c1ccc(F)cn1)C1CC1 ZINC001575155546 952241760 /nfs/dbraw/zinc/24/17/60/952241760.db2.gz MWSGZXJOYXCABV-QGZVFWFLSA-N -1 1 383.391 1.201 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H]1CCCC(F)(F)C1 ZINC001575155919 952245975 /nfs/dbraw/zinc/24/59/75/952245975.db2.gz AVKPDYXSZZOYMH-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCCC(F)(F)C1 ZINC001575155919 952245982 /nfs/dbraw/zinc/24/59/82/952245982.db2.gz AVKPDYXSZZOYMH-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H]1CCCCC1(F)F ZINC001575156322 952252183 /nfs/dbraw/zinc/25/21/83/952252183.db2.gz DPHUWHOLQIMMSW-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCCCC1(F)F ZINC001575156322 952252192 /nfs/dbraw/zinc/25/21/92/952252192.db2.gz DPHUWHOLQIMMSW-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)Cc1cccc(F)c1F ZINC001575158245 952269489 /nfs/dbraw/zinc/26/94/89/952269489.db2.gz SBDPXMZXFQULBM-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)Cc1cccc(F)c1F ZINC001575158245 952269494 /nfs/dbraw/zinc/26/94/94/952269494.db2.gz SBDPXMZXFQULBM-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1ccsc1Cl ZINC001575158575 952272769 /nfs/dbraw/zinc/27/27/69/952272769.db2.gz WKLNTPBXNXOGQX-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccsc1Cl ZINC001575158575 952272776 /nfs/dbraw/zinc/27/27/76/952272776.db2.gz WKLNTPBXNXOGQX-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)Cc1ccon1 ZINC001575164342 952292443 /nfs/dbraw/zinc/29/24/43/952292443.db2.gz DMAUYVBDJZVLIU-SSDOTTSWSA-N -1 1 382.837 1.466 20 0 GDADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)[C@]1(F)CCOC1 ZINC001575164590 952295672 /nfs/dbraw/zinc/29/56/72/952295672.db2.gz FYYKQOMYROKHKG-CPFSXVBKSA-N -1 1 389.844 1.364 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)c1cnccn1 ZINC001575164804 952298841 /nfs/dbraw/zinc/29/88/41/952298841.db2.gz HVNYBAISXHNLKU-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)c1cnccn1 ZINC001575164804 952298848 /nfs/dbraw/zinc/29/88/48/952298848.db2.gz HVNYBAISXHNLKU-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)c1cnccn1 ZINC001575164806 952299096 /nfs/dbraw/zinc/29/90/96/952299096.db2.gz HVNYBAISXHNLKU-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)c1cnccn1 ZINC001575164806 952299100 /nfs/dbraw/zinc/29/91/00/952299100.db2.gz HVNYBAISXHNLKU-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)[C@@H]1CCCOC1 ZINC001575166303 952323770 /nfs/dbraw/zinc/32/37/70/952323770.db2.gz VCAZTEFFDXGXCY-RKDXNWHRSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)[C@H]1CCCOC1 ZINC001575166371 952324267 /nfs/dbraw/zinc/32/42/67/952324267.db2.gz VMZYOOFRTNOESI-IUCAKERBSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)[C@H]1CCCOC1 ZINC001575166371 952324273 /nfs/dbraw/zinc/32/42/73/952324273.db2.gz VMZYOOFRTNOESI-IUCAKERBSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCc2cccnc21 ZINC001575173873 952357689 /nfs/dbraw/zinc/35/76/89/952357689.db2.gz BWHPPOQBLJPQKC-DGCLKSJQSA-N -1 1 379.428 1.041 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCc2cccnc21 ZINC001575173873 952357698 /nfs/dbraw/zinc/35/76/98/952357698.db2.gz BWHPPOQBLJPQKC-DGCLKSJQSA-N -1 1 379.428 1.041 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(CCS(=O)(=O)CC(=O)[O-])C[C@@H]21 ZINC001602902610 971826839 /nfs/dbraw/zinc/82/68/39/971826839.db2.gz DILMSHZMZVAADS-MELADBBJSA-N -1 1 390.502 1.111 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)C[C@H]1CCC(F)(F)C1 ZINC001575174752 952379137 /nfs/dbraw/zinc/37/91/37/952379137.db2.gz SFSKKBQABXWDIE-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)C[C@H]1CCC(F)(F)C1 ZINC001575174752 952379142 /nfs/dbraw/zinc/37/91/42/952379142.db2.gz SFSKKBQABXWDIE-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)C(C)(C)c1cccnc1 ZINC001575175250 952384147 /nfs/dbraw/zinc/38/41/47/952384147.db2.gz WHOLAFNOLLAELK-LBPRGKRZSA-N -1 1 381.444 1.288 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)C(C)(C)c1cccnc1 ZINC001575175250 952384153 /nfs/dbraw/zinc/38/41/53/952384153.db2.gz WHOLAFNOLLAELK-LBPRGKRZSA-N -1 1 381.444 1.288 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)CCCC1CCOCC1 ZINC001575175726 952389431 /nfs/dbraw/zinc/38/94/31/952389431.db2.gz YCXLJOGTYXAINP-CYBMUJFWSA-N -1 1 388.476 1.512 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)CCCC1CCOCC1 ZINC001575175726 952389439 /nfs/dbraw/zinc/38/94/39/952389439.db2.gz YCXLJOGTYXAINP-CYBMUJFWSA-N -1 1 388.476 1.512 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1csc(Cl)c1 ZINC001575176940 952395213 /nfs/dbraw/zinc/39/52/13/952395213.db2.gz FOWMTCCRDYYXDG-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1csc(Cl)c1 ZINC001575176940 952395218 /nfs/dbraw/zinc/39/52/18/952395218.db2.gz FOWMTCCRDYYXDG-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@](CO)(NC(=O)c1coc(-c2nnn[n-]2)c1)c1ccc(Br)cc1 ZINC001575177835 952403870 /nfs/dbraw/zinc/40/38/70/952403870.db2.gz NCIAGVKPOXKIHD-OAHLLOKOSA-N -1 1 392.213 1.860 20 0 GDADMM C[C@](CO)(NC(=O)c1coc(-c2nn[n-]n2)c1)c1ccc(Br)cc1 ZINC001575177835 952403876 /nfs/dbraw/zinc/40/38/76/952403876.db2.gz NCIAGVKPOXKIHD-OAHLLOKOSA-N -1 1 392.213 1.860 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ccc(C2CC2)cn1 ZINC001575179536 952413103 /nfs/dbraw/zinc/41/31/03/952413103.db2.gz PZDNZGHNYJPKRU-NSHDSACASA-N -1 1 379.428 1.502 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ccc(C2CC2)cn1 ZINC001575179536 952413107 /nfs/dbraw/zinc/41/31/07/952413107.db2.gz PZDNZGHNYJPKRU-NSHDSACASA-N -1 1 379.428 1.502 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)Cc1cccnc1 ZINC001575180173 952415593 /nfs/dbraw/zinc/41/55/93/952415593.db2.gz SMPVULONRZXNMQ-VIFPVBQESA-N -1 1 392.876 1.873 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)Cc1cccnc1 ZINC001575180173 952415595 /nfs/dbraw/zinc/41/55/95/952415595.db2.gz SMPVULONRZXNMQ-VIFPVBQESA-N -1 1 392.876 1.873 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)Cc1ccc(F)cc1F ZINC001575180655 952419685 /nfs/dbraw/zinc/41/96/85/952419685.db2.gz WNKRBXIGBHTVSX-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)Cc1ccc(F)cc1F ZINC001575180655 952419689 /nfs/dbraw/zinc/41/96/89/952419689.db2.gz WNKRBXIGBHTVSX-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cc2c(s1)CCC2 ZINC001575180957 952422013 /nfs/dbraw/zinc/42/20/13/952422013.db2.gz YRRZDVQEGWHXJS-JTQLQIEISA-N -1 1 384.469 1.780 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cc2c(s1)CCC2 ZINC001575180957 952422017 /nfs/dbraw/zinc/42/20/17/952422017.db2.gz YRRZDVQEGWHXJS-JTQLQIEISA-N -1 1 384.469 1.780 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575188023 952445537 /nfs/dbraw/zinc/44/55/37/952445537.db2.gz GQNYCZOWANXHCG-OLZOCXBDSA-N -1 1 382.428 1.389 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575188023 952445541 /nfs/dbraw/zinc/44/55/41/952445541.db2.gz GQNYCZOWANXHCG-OLZOCXBDSA-N -1 1 382.428 1.389 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)Cc1ccccc1F ZINC001575191076 952465896 /nfs/dbraw/zinc/46/58/96/952465896.db2.gz WWAVROYFAMTRHM-RYUDHWBXSA-N -1 1 384.419 1.013 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575196581 952475628 /nfs/dbraw/zinc/47/56/28/952475628.db2.gz HGOCFDXLRIZXTL-OLZOCXBDSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575196581 952475631 /nfs/dbraw/zinc/47/56/31/952475631.db2.gz HGOCFDXLRIZXTL-OLZOCXBDSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575197120 952479634 /nfs/dbraw/zinc/47/96/34/952479634.db2.gz NRBKMPYBAWGXLB-KZULUSFZSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575197120 952479637 /nfs/dbraw/zinc/47/96/37/952479637.db2.gz NRBKMPYBAWGXLB-KZULUSFZSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NCC1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001575197172 952481129 /nfs/dbraw/zinc/48/11/29/952481129.db2.gz OKMAOEAIWRUIJH-PNESKVBLSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NCC1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001575197172 952481132 /nfs/dbraw/zinc/48/11/32/952481132.db2.gz OKMAOEAIWRUIJH-PNESKVBLSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001575197260 952481387 /nfs/dbraw/zinc/48/13/87/952481387.db2.gz RGGCCBRDQDVHNU-FZMZJTMJSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001575197260 952481392 /nfs/dbraw/zinc/48/13/92/952481392.db2.gz RGGCCBRDQDVHNU-FZMZJTMJSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)c1ccccc1 ZINC001571120947 952511172 /nfs/dbraw/zinc/51/11/72/952511172.db2.gz VCQKKPCHXHQSSY-YYWXWVFPSA-N -1 1 376.424 1.011 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2)c1ccccc1 ZINC001571121344 952519265 /nfs/dbraw/zinc/51/92/65/952519265.db2.gz YZFONWDOXIGXFA-CABCVRRESA-N -1 1 376.424 1.810 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2)c1ccccc1 ZINC001571121344 952519270 /nfs/dbraw/zinc/51/92/70/952519270.db2.gz YZFONWDOXIGXFA-CABCVRRESA-N -1 1 376.424 1.810 20 0 GDADMM O=C(N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccc(Cl)s1 ZINC001571121686 952520493 /nfs/dbraw/zinc/52/04/93/952520493.db2.gz BOOKEPKBUNHKIP-MRVPVSSYSA-N -1 1 376.833 1.380 20 0 GDADMM O=C(N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccc(Cl)s1 ZINC001571121686 952520499 /nfs/dbraw/zinc/52/04/99/952520499.db2.gz BOOKEPKBUNHKIP-MRVPVSSYSA-N -1 1 376.833 1.380 20 0 GDADMM CCc1nc(NC2CCC(NC(=O)C(C)(C)F)CC2)cc(-c2nnn[n-]2)n1 ZINC001571121942 952524046 /nfs/dbraw/zinc/52/40/46/952524046.db2.gz FWUDJRNRHNCNEU-UHFFFAOYSA-N -1 1 376.440 1.807 20 0 GDADMM CCc1nc(NC2CCC(NC(=O)C(C)(C)F)CC2)cc(-c2nn[n-]n2)n1 ZINC001571121942 952524049 /nfs/dbraw/zinc/52/40/49/952524049.db2.gz FWUDJRNRHNCNEU-UHFFFAOYSA-N -1 1 376.440 1.807 20 0 GDADMM CC[C@H](SC)C(=O)N1CCC[C@@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001571122815 952526755 /nfs/dbraw/zinc/52/67/55/952526755.db2.gz LZQFJYAAVRNMEF-NEPJUHHUSA-N -1 1 376.490 1.226 20 0 GDADMM Cc1nsc(N[C@@]2(CO)CCCN(C(=O)C3(C)CC3)C2)c1-c1nn[n-]n1 ZINC001571127617 952558608 /nfs/dbraw/zinc/55/86/08/952558608.db2.gz JYWPAVGUTDAFAR-INIZCTEOSA-N -1 1 377.474 1.197 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001575214940 952566647 /nfs/dbraw/zinc/56/66/47/952566647.db2.gz PZNNGAGSYOGZSB-NSHDSACASA-N -1 1 380.403 1.645 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001575214940 952566649 /nfs/dbraw/zinc/56/66/49/952566649.db2.gz PZNNGAGSYOGZSB-NSHDSACASA-N -1 1 380.403 1.645 20 0 GDADMM Cc1nsc(N2CCCN(C(=O)C[C@H]3CCOC3)CC2)c1-c1nn[n-]n1 ZINC001571128553 952568556 /nfs/dbraw/zinc/56/85/56/952568556.db2.gz UJZCKLFZEVGANB-GFCCVEGCSA-N -1 1 377.474 1.097 20 0 GDADMM O=C(C[C@H]1CCC(F)(F)C1)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571129165 952572844 /nfs/dbraw/zinc/57/28/44/952572844.db2.gz AQBFNBQUJJRYAU-MXWKQRLJSA-N -1 1 378.387 1.541 20 0 GDADMM O=C(C[C@H]1CCC(F)(F)C1)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571129165 952572850 /nfs/dbraw/zinc/57/28/50/952572850.db2.gz AQBFNBQUJJRYAU-MXWKQRLJSA-N -1 1 378.387 1.541 20 0 GDADMM CC1(C)CN(c2ccnc(-c3nn[n-]n3)n2)C[C@@H]1NC(=O)[C@@H]1CCC1(F)F ZINC001571129498 952575547 /nfs/dbraw/zinc/57/55/47/952575547.db2.gz FEPLXNCBWUXMLY-UWVGGRQHSA-N -1 1 378.387 1.033 20 0 GDADMM O=C(C[C@H]1CCCC1(F)F)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571130179 952578593 /nfs/dbraw/zinc/57/85/93/952578593.db2.gz PFOHIKSFAOYCQY-MNOVXSKESA-N -1 1 378.387 1.177 20 0 GDADMM CCN(C(=O)[C@@H]1CCC1(F)F)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571130458 952579388 /nfs/dbraw/zinc/57/93/88/952579388.db2.gz RCIYAVAYVRCIST-QWRGUYRKSA-N -1 1 378.387 1.129 20 0 GDADMM O=C(N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)[C@@H]1CCCC(F)(F)C1 ZINC001571130554 952580792 /nfs/dbraw/zinc/58/07/92/952580792.db2.gz SWZMHKPRQXZZLH-MNOVXSKESA-N -1 1 378.387 1.177 20 0 GDADMM O=C(N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)[C@@H]1CCCC(F)(F)C1 ZINC001571130554 952580794 /nfs/dbraw/zinc/58/07/94/952580794.db2.gz SWZMHKPRQXZZLH-MNOVXSKESA-N -1 1 378.387 1.177 20 0 GDADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H]1CCN(C(=O)C2C=CC=CC=C2)C1 ZINC001571134231 952587603 /nfs/dbraw/zinc/58/76/03/952587603.db2.gz COILLKGSXCXSJB-HIFRSBDPSA-N -1 1 378.440 1.604 20 0 GDADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)C2C=CC=CC=C2)C1 ZINC001571134231 952587605 /nfs/dbraw/zinc/58/76/05/952587605.db2.gz COILLKGSXCXSJB-HIFRSBDPSA-N -1 1 378.440 1.604 20 0 GDADMM Cc1ccccc1C(=O)N1CC[C@](C)(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571134502 952591429 /nfs/dbraw/zinc/59/14/29/952591429.db2.gz JENQDIOOCRJFNB-LJQANCHMSA-N -1 1 378.440 1.929 20 0 GDADMM Cc1ccccc1C(=O)N1CC[C@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571134502 952591434 /nfs/dbraw/zinc/59/14/34/952591434.db2.gz JENQDIOOCRJFNB-LJQANCHMSA-N -1 1 378.440 1.929 20 0 GDADMM Cc1cccc(CC(=O)NC2CC(CNc3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571134527 952591630 /nfs/dbraw/zinc/59/16/30/952591630.db2.gz KCEREAHRFBPKCR-UHFFFAOYSA-N -1 1 378.440 1.515 20 0 GDADMM Cc1cccc(CC(=O)NC2CC(CNc3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571134527 952591633 /nfs/dbraw/zinc/59/16/33/952591633.db2.gz KCEREAHRFBPKCR-UHFFFAOYSA-N -1 1 378.440 1.515 20 0 GDADMM Cc1cc(C)cc(C(=O)N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571135001 952598293 /nfs/dbraw/zinc/59/82/93/952598293.db2.gz OMRHQIBGBYZDIU-HNNXBMFYSA-N -1 1 378.440 1.990 20 0 GDADMM Cc1cc(C)cc(C(=O)N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571135001 952598297 /nfs/dbraw/zinc/59/82/97/952598297.db2.gz OMRHQIBGBYZDIU-HNNXBMFYSA-N -1 1 378.440 1.990 20 0 GDADMM Cc1ccccc1C(=O)N1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1 ZINC001571135090 952599150 /nfs/dbraw/zinc/59/91/50/952599150.db2.gz RIHUJKJQPYXXQD-HNNXBMFYSA-N -1 1 378.440 1.928 20 0 GDADMM Cc1ccccc1C(=O)N1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C1 ZINC001571135090 952599154 /nfs/dbraw/zinc/59/91/54/952599154.db2.gz RIHUJKJQPYXXQD-HNNXBMFYSA-N -1 1 378.440 1.928 20 0 GDADMM CCN(C(=O)c1ccc(C)cc1)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571135075 952599694 /nfs/dbraw/zinc/59/96/94/952599694.db2.gz OZJLJUZJYFKUKE-HNNXBMFYSA-N -1 1 378.440 1.706 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H]([C@H](C)Nc3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001571135415 952603257 /nfs/dbraw/zinc/60/32/57/952603257.db2.gz XLYZLNINGLPLRJ-DZGCQCFKSA-N -1 1 378.440 1.928 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H]([C@H](C)Nc3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001571135415 952603260 /nfs/dbraw/zinc/60/32/60/952603260.db2.gz XLYZLNINGLPLRJ-DZGCQCFKSA-N -1 1 378.440 1.928 20 0 GDADMM Cc1cc(C)cc(CC(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571135438 952603809 /nfs/dbraw/zinc/60/38/09/952603809.db2.gz VWPTYOGMMWCIRA-OAHLLOKOSA-N -1 1 378.440 1.529 20 0 GDADMM Cc1cc(C)cc(CC(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571135438 952603812 /nfs/dbraw/zinc/60/38/12/952603812.db2.gz VWPTYOGMMWCIRA-OAHLLOKOSA-N -1 1 378.440 1.529 20 0 GDADMM Cc1cc(C)cc(C(=O)N2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C[C@H]2C)c1 ZINC001571135609 952606052 /nfs/dbraw/zinc/60/60/52/952606052.db2.gz YPWNQYUQAJUVRD-UKRRQHHQSA-N -1 1 378.440 1.989 20 0 GDADMM Cc1cc(C)cc(C(=O)N2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C[C@H]2C)c1 ZINC001571135609 952606057 /nfs/dbraw/zinc/60/60/57/952606057.db2.gz YPWNQYUQAJUVRD-UKRRQHHQSA-N -1 1 378.440 1.989 20 0 GDADMM Cc1cc(F)cc(-c2nn[n-]n2)c1S(=O)(=O)NCCc1cccc(F)c1 ZINC001571138994 952618323 /nfs/dbraw/zinc/61/83/23/952618323.db2.gz APRVNBKCYBEPEM-UHFFFAOYSA-N -1 1 379.392 1.974 20 0 GDADMM O=C(NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)c1c[nH]cc1C1CC1 ZINC001571146055 952646970 /nfs/dbraw/zinc/64/69/70/952646970.db2.gz BADANEKHAJWLJV-UHFFFAOYSA-N -1 1 379.428 1.261 20 0 GDADMM O=C(NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)c1c[nH]cc1C1CC1 ZINC001571146055 952646974 /nfs/dbraw/zinc/64/69/74/952646974.db2.gz BADANEKHAJWLJV-UHFFFAOYSA-N -1 1 379.428 1.261 20 0 GDADMM CC(C)c1ccc(C(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001571146976 952655161 /nfs/dbraw/zinc/65/51/61/952655161.db2.gz FGYYKMHJUGVLKS-ZDUSSCGKSA-N -1 1 379.428 1.502 20 0 GDADMM CC(C)c1ccc(C(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571146976 952655165 /nfs/dbraw/zinc/65/51/65/952655165.db2.gz FGYYKMHJUGVLKS-ZDUSSCGKSA-N -1 1 379.428 1.502 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](NC(=O)c3ccccn3)CC[C@@H]2C)n1 ZINC001571147190 952658928 /nfs/dbraw/zinc/65/89/28/952658928.db2.gz IRBLQLYMQVREJJ-QWHCGFSZSA-N -1 1 379.428 1.147 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](NC(=O)c3ccccn3)CC[C@@H]2C)n1 ZINC001571147190 952658930 /nfs/dbraw/zinc/65/89/30/952658930.db2.gz IRBLQLYMQVREJJ-QWHCGFSZSA-N -1 1 379.428 1.147 20 0 GDADMM Cc1cc(C)c(C(=O)N2C[C@@H]3C[C@H]2CN3c2nc(C)cc(-c3nnn[n-]3)n2)[nH]1 ZINC001571147326 952659415 /nfs/dbraw/zinc/65/94/15/952659415.db2.gz JQLVBADZQNJSQD-STQMWFEESA-N -1 1 379.428 1.013 20 0 GDADMM Cc1cc(C)c(C(=O)N2C[C@@H]3C[C@H]2CN3c2nc(C)cc(-c3nn[n-]n3)n2)[nH]1 ZINC001571147326 952659417 /nfs/dbraw/zinc/65/94/17/952659417.db2.gz JQLVBADZQNJSQD-STQMWFEESA-N -1 1 379.428 1.013 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](NC(=O)c3ccncc3)[C@H]2C)n1 ZINC001571147400 952660916 /nfs/dbraw/zinc/66/09/16/952660916.db2.gz LZQLDQQBFYNXKD-TZMCWYRMSA-N -1 1 379.428 1.147 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](NC(=O)c3ccncc3)[C@H]2C)n1 ZINC001571147400 952660919 /nfs/dbraw/zinc/66/09/19/952660919.db2.gz LZQLDQQBFYNXKD-TZMCWYRMSA-N -1 1 379.428 1.147 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCc1ccccn1 ZINC001571147566 952662595 /nfs/dbraw/zinc/66/25/95/952662595.db2.gz NZAQVRZTYDQCDP-JSGCOSHPSA-N -1 1 379.428 1.086 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1ccccn1 ZINC001571147566 952662597 /nfs/dbraw/zinc/66/25/97/952662597.db2.gz NZAQVRZTYDQCDP-JSGCOSHPSA-N -1 1 379.428 1.086 20 0 GDADMM CN(C(=O)c1ccncc1)C1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571148275 952666676 /nfs/dbraw/zinc/66/66/76/952666676.db2.gz XZZUPVIGTUPZDZ-UHFFFAOYSA-N -1 1 379.428 1.547 20 0 GDADMM CN(C(=O)c1ccncc1)C1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571148275 952666679 /nfs/dbraw/zinc/66/66/79/952666679.db2.gz XZZUPVIGTUPZDZ-UHFFFAOYSA-N -1 1 379.428 1.547 20 0 GDADMM CC[C@H](NCc1nc(-c2nnn[n-]2)cs1)c1cccc(S(N)(=O)=O)c1 ZINC001571151111 952672547 /nfs/dbraw/zinc/67/25/47/952672547.db2.gz LQODOQIOGZXIMA-NSHDSACASA-N -1 1 379.471 1.212 20 0 GDADMM CC[C@H](NCc1nc(-c2nn[n-]n2)cs1)c1cccc(S(N)(=O)=O)c1 ZINC001571151111 952672550 /nfs/dbraw/zinc/67/25/50/952672550.db2.gz LQODOQIOGZXIMA-NSHDSACASA-N -1 1 379.471 1.212 20 0 GDADMM Cc1coc(C(=O)N2CCN(c3nc(Cl)c(-c4nnn[n-]4)s3)CC2)c1 ZINC001571152616 952682873 /nfs/dbraw/zinc/68/28/73/952682873.db2.gz HOXDVQZAUFQNDN-UHFFFAOYSA-N -1 1 379.833 1.840 20 0 GDADMM Cc1coc(C(=O)N2CCN(c3nc(Cl)c(-c4nn[n-]n4)s3)CC2)c1 ZINC001571152616 952682876 /nfs/dbraw/zinc/68/28/76/952682876.db2.gz HOXDVQZAUFQNDN-UHFFFAOYSA-N -1 1 379.833 1.840 20 0 GDADMM CN(C)C(=O)Nc1cccc(CNC(=O)Cc2ccc(-c3nnn[n-]3)nc2)c1 ZINC001571155406 952697014 /nfs/dbraw/zinc/69/70/14/952697014.db2.gz QRGPXVAONNGVJG-UHFFFAOYSA-N -1 1 380.412 1.214 20 0 GDADMM CN(C)C(=O)Nc1cccc(CNC(=O)Cc2ccc(-c3nn[n-]n3)nc2)c1 ZINC001571155406 952697017 /nfs/dbraw/zinc/69/70/17/952697017.db2.gz QRGPXVAONNGVJG-UHFFFAOYSA-N -1 1 380.412 1.214 20 0 GDADMM Cc1cncc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C[C@H]2C)c1 ZINC001571156541 952702138 /nfs/dbraw/zinc/70/21/38/952702138.db2.gz DBYAVXWKHMYFFL-TZMCWYRMSA-N -1 1 379.428 1.465 20 0 GDADMM Cc1cncc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C[C@H]2C)c1 ZINC001571156541 952702143 /nfs/dbraw/zinc/70/21/43/952702143.db2.gz DBYAVXWKHMYFFL-TZMCWYRMSA-N -1 1 379.428 1.465 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCCN2C(=O)c2cnccc2C)n1 ZINC001571156857 952705964 /nfs/dbraw/zinc/70/59/64/952705964.db2.gz LPHZVRPVZXXGOZ-CYBMUJFWSA-N -1 1 379.428 1.385 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCCN2C(=O)c2cnccc2C)n1 ZINC001571156857 952705968 /nfs/dbraw/zinc/70/59/68/952705968.db2.gz LPHZVRPVZXXGOZ-CYBMUJFWSA-N -1 1 379.428 1.385 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCCN2C(=O)c2cnccc2C)n1 ZINC001571156858 952706395 /nfs/dbraw/zinc/70/63/95/952706395.db2.gz LPHZVRPVZXXGOZ-ZDUSSCGKSA-N -1 1 379.428 1.385 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCCN2C(=O)c2cnccc2C)n1 ZINC001571156858 952706400 /nfs/dbraw/zinc/70/64/00/952706400.db2.gz LPHZVRPVZXXGOZ-ZDUSSCGKSA-N -1 1 379.428 1.385 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H]([C@H](C)Nc3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001571158061 952708889 /nfs/dbraw/zinc/70/88/89/952708889.db2.gz QMEVHUKXIPVXQT-GXTWGEPZSA-N -1 1 379.428 1.323 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H]([C@H](C)Nc3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571158061 952708891 /nfs/dbraw/zinc/70/88/91/952708891.db2.gz QMEVHUKXIPVXQT-GXTWGEPZSA-N -1 1 379.428 1.323 20 0 GDADMM Cc1ccc(OCC(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001571159265 952717990 /nfs/dbraw/zinc/71/79/90/952717990.db2.gz SJQAEZBGXRKESQ-CYBMUJFWSA-N -1 1 380.412 1.057 20 0 GDADMM Cc1ccc(OCC(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001571159265 952717996 /nfs/dbraw/zinc/71/79/96/952717996.db2.gz SJQAEZBGXRKESQ-CYBMUJFWSA-N -1 1 380.412 1.057 20 0 GDADMM Cc1cccc(C(=O)N[C@@H]2CC[C@H](C)N(c3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571160344 952725216 /nfs/dbraw/zinc/72/52/16/952725216.db2.gz ZEORTZJSKNGCNT-QWHCGFSZSA-N -1 1 379.428 1.147 20 0 GDADMM Cc1cccc(C(=O)N[C@@H]2CC[C@H](C)N(c3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571160344 952725220 /nfs/dbraw/zinc/72/52/20/952725220.db2.gz ZEORTZJSKNGCNT-QWHCGFSZSA-N -1 1 379.428 1.147 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)ccn1 ZINC001571160355 952726123 /nfs/dbraw/zinc/72/61/23/952726123.db2.gz ZIRAYYDWWACSJA-ZIAGYGMSSA-N -1 1 379.428 1.371 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)ccn1 ZINC001571160355 952726128 /nfs/dbraw/zinc/72/61/28/952726128.db2.gz ZIRAYYDWWACSJA-ZIAGYGMSSA-N -1 1 379.428 1.371 20 0 GDADMM O=C(CCc1ccoc1)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571160367 952726327 /nfs/dbraw/zinc/72/63/27/952726327.db2.gz HSFDWEZNNAHZJL-OKILXGFUSA-N -1 1 380.412 1.062 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)c3cccnc3)C[C@@H]2C)n1 ZINC001571160369 952726465 /nfs/dbraw/zinc/72/64/65/952726465.db2.gz ZNRTWLCYGZOXAF-SMDDNHRTSA-N -1 1 379.428 1.323 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)c3cccnc3)C[C@@H]2C)n1 ZINC001571160369 952726468 /nfs/dbraw/zinc/72/64/68/952726468.db2.gz ZNRTWLCYGZOXAF-SMDDNHRTSA-N -1 1 379.428 1.323 20 0 GDADMM O=C(c1ccoc1C1CC1)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571161211 952730949 /nfs/dbraw/zinc/73/09/49/952730949.db2.gz REXQUMMDEOPSQW-GFCCVEGCSA-N -1 1 380.412 1.844 20 0 GDADMM O=C(c1ccoc1C1CC1)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571161211 952730955 /nfs/dbraw/zinc/73/09/55/952730955.db2.gz REXQUMMDEOPSQW-GFCCVEGCSA-N -1 1 380.412 1.844 20 0 GDADMM CC1(C(=O)N2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571166271 952759520 /nfs/dbraw/zinc/75/95/20/952759520.db2.gz LDLSXUITXYQGJY-XPCVCDNBSA-N -1 1 380.456 1.130 20 0 GDADMM CC1(C(=O)N2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571166271 952759522 /nfs/dbraw/zinc/75/95/22/952759522.db2.gz LDLSXUITXYQGJY-XPCVCDNBSA-N -1 1 380.456 1.130 20 0 GDADMM O=C(CC1CC1)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1nccnc1-c1nnn[n-]1 ZINC001571171686 952796420 /nfs/dbraw/zinc/79/64/20/952796420.db2.gz CXTONQDEXPNJTO-XQLPTFJDSA-N -1 1 380.456 1.130 20 0 GDADMM O=C(CC1CC1)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1nccnc1-c1nn[n-]n1 ZINC001571171686 952796422 /nfs/dbraw/zinc/79/64/22/952796422.db2.gz CXTONQDEXPNJTO-XQLPTFJDSA-N -1 1 380.456 1.130 20 0 GDADMM Cc1ncoc1C(=O)N[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571172380 952806928 /nfs/dbraw/zinc/80/69/28/952806928.db2.gz UHUZEZNLMLUNMP-SSDOTTSWSA-N -1 1 380.821 1.282 20 0 GDADMM Cc1ncoc1C(=O)N[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571172380 952806939 /nfs/dbraw/zinc/80/69/39/952806939.db2.gz UHUZEZNLMLUNMP-SSDOTTSWSA-N -1 1 380.821 1.282 20 0 GDADMM Cc1ncoc1C(=O)N1CC[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571172852 952809250 /nfs/dbraw/zinc/80/92/50/952809250.db2.gz ZMQBLZJSSLIDPP-SSDOTTSWSA-N -1 1 380.821 1.600 20 0 GDADMM Cc1ncoc1C(=O)N1CC[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571172852 952809257 /nfs/dbraw/zinc/80/92/57/952809257.db2.gz ZMQBLZJSSLIDPP-SSDOTTSWSA-N -1 1 380.821 1.600 20 0 GDADMM CN(C(=O)c1conc1C1CC1)C1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571174911 952817019 /nfs/dbraw/zinc/81/70/19/952817019.db2.gz MNMMHFSFAMTJOW-UHFFFAOYSA-N -1 1 381.400 1.237 20 0 GDADMM CN(C(=O)c1conc1C1CC1)C1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571174911 952817023 /nfs/dbraw/zinc/81/70/23/952817023.db2.gz MNMMHFSFAMTJOW-UHFFFAOYSA-N -1 1 381.400 1.237 20 0 GDADMM O=C(c1cnoc1C1CC1)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571178172 952835668 /nfs/dbraw/zinc/83/56/68/952835668.db2.gz AJCAUTGOWDRGQL-LLVKDONJSA-N -1 1 381.400 1.239 20 0 GDADMM O=C(c1cnoc1C1CC1)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571178172 952835670 /nfs/dbraw/zinc/83/56/70/952835670.db2.gz AJCAUTGOWDRGQL-LLVKDONJSA-N -1 1 381.400 1.239 20 0 GDADMM O=C(c1ncoc1C1CC1)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571178491 952842593 /nfs/dbraw/zinc/84/25/93/952842593.db2.gz KPTXTSSIDDGPQH-JTQLQIEISA-N -1 1 381.400 1.096 20 0 GDADMM O=C(c1ncoc1C1CC1)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571178491 952842600 /nfs/dbraw/zinc/84/26/00/952842600.db2.gz KPTXTSSIDDGPQH-JTQLQIEISA-N -1 1 381.400 1.096 20 0 GDADMM CC(C)Cc1c[nH]c(C(=O)N2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)c1 ZINC001571181429 952864622 /nfs/dbraw/zinc/86/46/22/952864622.db2.gz WUNVALGCXILPJY-UHFFFAOYSA-N -1 1 381.444 1.146 20 0 GDADMM CCc1[nH]ccc1C(=O)N[C@H]1CC[C@@H](C)N(c2nccnc2-c2nnn[n-]2)C1 ZINC001571183445 952879194 /nfs/dbraw/zinc/87/91/94/952879194.db2.gz AIGQVJDZXRLCMM-NEPJUHHUSA-N -1 1 381.444 1.335 20 0 GDADMM CCc1[nH]ccc1C(=O)N[C@H]1CC[C@@H](C)N(c2nccnc2-c2nn[n-]n2)C1 ZINC001571183445 952879199 /nfs/dbraw/zinc/87/91/99/952879199.db2.gz AIGQVJDZXRLCMM-NEPJUHHUSA-N -1 1 381.444 1.335 20 0 GDADMM CCCc1[nH]ccc1C(=O)NCC1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571183553 952880205 /nfs/dbraw/zinc/88/02/05/952880205.db2.gz DMDYTUZKPNTFMI-UHFFFAOYSA-N -1 1 381.444 1.558 20 0 GDADMM CCCc1[nH]ccc1C(=O)NCC1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571183553 952880206 /nfs/dbraw/zinc/88/02/06/952880206.db2.gz DMDYTUZKPNTFMI-UHFFFAOYSA-N -1 1 381.444 1.558 20 0 GDADMM CCc1nc(N[C@H]2C[C@@H](C)N(C(=O)c3[nH]ccc3C)C2)cc(-c2nnn[n-]2)n1 ZINC001571183973 952885584 /nfs/dbraw/zinc/88/55/84/952885584.db2.gz NVVBEIAYQPEFKP-NEPJUHHUSA-N -1 1 381.444 1.571 20 0 GDADMM CCc1nc(N[C@H]2C[C@@H](C)N(C(=O)c3[nH]ccc3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571183973 952885587 /nfs/dbraw/zinc/88/55/87/952885587.db2.gz NVVBEIAYQPEFKP-NEPJUHHUSA-N -1 1 381.444 1.571 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571184164 952889571 /nfs/dbraw/zinc/88/95/71/952889571.db2.gz RZQRKGZHXYLMKJ-ZDUSSCGKSA-N -1 1 381.444 1.438 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571184164 952889576 /nfs/dbraw/zinc/88/95/76/952889576.db2.gz RZQRKGZHXYLMKJ-ZDUSSCGKSA-N -1 1 381.444 1.438 20 0 GDADMM Cc1c(C(=O)NC2(C)CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)ccn1C ZINC001571184643 952894765 /nfs/dbraw/zinc/89/47/65/952894765.db2.gz CDVMRGAVWLTBQH-UHFFFAOYSA-N -1 1 381.444 1.093 20 0 GDADMM Cc1c(C(=O)NC2(C)CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)ccn1C ZINC001571184643 952894768 /nfs/dbraw/zinc/89/47/68/952894768.db2.gz CDVMRGAVWLTBQH-UHFFFAOYSA-N -1 1 381.444 1.093 20 0 GDADMM CCn1cccc1C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C[C@H]1C ZINC001571184638 952895449 /nfs/dbraw/zinc/89/54/49/952895449.db2.gz CCAZWIDMMGDPQU-CHWSQXEVSA-N -1 1 381.444 1.583 20 0 GDADMM CCn1cccc1C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C[C@H]1C ZINC001571184638 952895455 /nfs/dbraw/zinc/89/54/55/952895455.db2.gz CCAZWIDMMGDPQU-CHWSQXEVSA-N -1 1 381.444 1.583 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCCN(C(=O)Cc3ccc[nH]3)C2)n1 ZINC001571184839 952899256 /nfs/dbraw/zinc/89/92/56/952899256.db2.gz FBQSZDPLCRMDGR-ZDUSSCGKSA-N -1 1 381.444 1.186 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCCN(C(=O)Cc3ccc[nH]3)C2)n1 ZINC001571184839 952899261 /nfs/dbraw/zinc/89/92/61/952899261.db2.gz FBQSZDPLCRMDGR-ZDUSSCGKSA-N -1 1 381.444 1.186 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)[C@@H]2CCCN(C(=O)c3cc[nH]c3)C2)n1 ZINC001571185123 952899447 /nfs/dbraw/zinc/89/94/47/952899447.db2.gz IUJINWPGDZLDPM-GXTWGEPZSA-N -1 1 381.444 1.646 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)[C@@H]2CCCN(C(=O)c3cc[nH]c3)C2)n1 ZINC001571185123 952899452 /nfs/dbraw/zinc/89/94/52/952899452.db2.gz IUJINWPGDZLDPM-GXTWGEPZSA-N -1 1 381.444 1.646 20 0 GDADMM Cc1c(C(=O)N2CC[C@H](CNc3nc(C)cc(-c4nnn[n-]4)n3)C2)ccn1C ZINC001571185425 952902107 /nfs/dbraw/zinc/90/21/07/952902107.db2.gz LIQGENZCOKTAJJ-CYBMUJFWSA-N -1 1 381.444 1.186 20 0 GDADMM Cc1c(C(=O)N2CC[C@H](CNc3nc(C)cc(-c4nn[n-]n4)n3)C2)ccn1C ZINC001571185425 952902113 /nfs/dbraw/zinc/90/21/13/952902113.db2.gz LIQGENZCOKTAJJ-CYBMUJFWSA-N -1 1 381.444 1.186 20 0 GDADMM CCn1cccc1C(=O)N1CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571185689 952903056 /nfs/dbraw/zinc/90/30/56/952903056.db2.gz OJVDYWGXANURLA-ZDUSSCGKSA-N -1 1 381.444 1.585 20 0 GDADMM CCn1cccc1C(=O)N1CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571185689 952903059 /nfs/dbraw/zinc/90/30/59/952903059.db2.gz OJVDYWGXANURLA-ZDUSSCGKSA-N -1 1 381.444 1.585 20 0 GDADMM CCn1cccc1C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC1(C)C ZINC001571185679 952903286 /nfs/dbraw/zinc/90/32/86/952903286.db2.gz OATGZVUSLDHNAS-CYBMUJFWSA-N -1 1 381.444 1.123 20 0 GDADMM CCn1cccc1C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC1(C)C ZINC001571185679 952903288 /nfs/dbraw/zinc/90/32/88/952903288.db2.gz OATGZVUSLDHNAS-CYBMUJFWSA-N -1 1 381.444 1.123 20 0 GDADMM Cc1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)n1C ZINC001571186333 952906809 /nfs/dbraw/zinc/90/68/09/952906809.db2.gz WSRGBSGTUIKMFR-QMTHXVAHSA-N -1 1 381.444 1.185 20 0 GDADMM Cc1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)n1C ZINC001571186333 952906811 /nfs/dbraw/zinc/90/68/11/952906811.db2.gz WSRGBSGTUIKMFR-QMTHXVAHSA-N -1 1 381.444 1.185 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CCC([C@H](C)Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571186313 952907221 /nfs/dbraw/zinc/90/72/21/952907221.db2.gz WEWCJCOJTOOFSP-NSHDSACASA-N -1 1 381.444 1.646 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CCC([C@H](C)Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571186313 952907223 /nfs/dbraw/zinc/90/72/23/952907223.db2.gz WEWCJCOJTOOFSP-NSHDSACASA-N -1 1 381.444 1.646 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)[C@H]2CCCCN2C(=O)c2cc[nH]c2)n1 ZINC001571186597 952907426 /nfs/dbraw/zinc/90/74/26/952907426.db2.gz XXSHUTUGUMKZGI-SWLSCSKDSA-N -1 1 381.444 1.789 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)[C@H]2CCCCN2C(=O)c2cc[nH]c2)n1 ZINC001571186597 952907436 /nfs/dbraw/zinc/90/74/36/952907436.db2.gz XXSHUTUGUMKZGI-SWLSCSKDSA-N -1 1 381.444 1.789 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H]([C@@H](C)Nc3nccnc3-c3nnn[n-]3)C2)c(C)[nH]1 ZINC001571188356 952913641 /nfs/dbraw/zinc/91/36/41/952913641.db2.gz JHQFIMCOCQJDTQ-DGCLKSJQSA-N -1 1 381.444 1.564 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H]([C@@H](C)Nc3nccnc3-c3nn[n-]n3)C2)c(C)[nH]1 ZINC001571188356 952913643 /nfs/dbraw/zinc/91/36/43/952913643.db2.gz JHQFIMCOCQJDTQ-DGCLKSJQSA-N -1 1 381.444 1.564 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1)C1=CCOCC1 ZINC001571190253 952940799 /nfs/dbraw/zinc/94/07/99/952940799.db2.gz GARUWKQOHFCAMY-KYZUINATSA-N -1 1 381.849 1.382 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1)C1=CCOCC1 ZINC001571190253 952940805 /nfs/dbraw/zinc/94/08/05/952940805.db2.gz GARUWKQOHFCAMY-KYZUINATSA-N -1 1 381.849 1.382 20 0 GDADMM O=C(N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1)C1(C(F)(F)F)CC1 ZINC001571194535 952964919 /nfs/dbraw/zinc/96/49/19/952964919.db2.gz OPZORODMQZFDFJ-UHFFFAOYSA-N -1 1 382.350 1.402 20 0 GDADMM O=C(N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1)C1(C(F)(F)F)CC1 ZINC001571194535 952964929 /nfs/dbraw/zinc/96/49/29/952964929.db2.gz OPZORODMQZFDFJ-UHFFFAOYSA-N -1 1 382.350 1.402 20 0 GDADMM Cc1ccc(F)c(C(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H](C)C2)c1 ZINC001571195462 952976346 /nfs/dbraw/zinc/97/63/46/952976346.db2.gz AEXYELHIJMUPKA-NHYWBVRUSA-N -1 1 382.403 1.677 20 0 GDADMM Cc1ccc(F)c(C(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H](C)C2)c1 ZINC001571195462 952976353 /nfs/dbraw/zinc/97/63/53/952976353.db2.gz AEXYELHIJMUPKA-NHYWBVRUSA-N -1 1 382.403 1.677 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCN(C(=O)c3ccccc3F)C2)n1 ZINC001571195677 952977616 /nfs/dbraw/zinc/97/76/16/952977616.db2.gz DEOKJLVNVNMINP-GFCCVEGCSA-N -1 1 382.403 1.821 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCN(C(=O)c3ccccc3F)C2)n1 ZINC001571195677 952977619 /nfs/dbraw/zinc/97/76/19/952977619.db2.gz DEOKJLVNVNMINP-GFCCVEGCSA-N -1 1 382.403 1.821 20 0 GDADMM C[C@@H]1CC[C@H](NC(=O)c2ccccc2F)CN1c1cncc(-c2nnn[n-]2)n1 ZINC001571196038 952979801 /nfs/dbraw/zinc/97/98/01/952979801.db2.gz GWNKYYAKZRCVQA-NEPJUHHUSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@@H]1CC[C@H](NC(=O)c2ccccc2F)CN1c1cncc(-c2nn[n-]n2)n1 ZINC001571196038 952979806 /nfs/dbraw/zinc/97/98/06/952979806.db2.gz GWNKYYAKZRCVQA-NEPJUHHUSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1F ZINC001571196415 952982173 /nfs/dbraw/zinc/98/21/73/952982173.db2.gz KJJXQDLAJBISBP-SRVKXCTJSA-N -1 1 382.403 1.659 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1F ZINC001571196415 952982177 /nfs/dbraw/zinc/98/21/77/952982177.db2.gz KJJXQDLAJBISBP-SRVKXCTJSA-N -1 1 382.403 1.659 20 0 GDADMM CN(c1ccnc(-c2nn[n-]n2)n1)[C@H]1CCCN(C(=O)c2cccc(F)c2)C1 ZINC001571196772 952984557 /nfs/dbraw/zinc/98/45/57/952984557.db2.gz NTBIQGFXWDICJC-AWEZNQCLSA-N -1 1 382.403 1.537 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccccc2F)CC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571196847 952984847 /nfs/dbraw/zinc/98/48/47/952984847.db2.gz PAOQWORSSMUJOT-BXUZGUMPSA-N -1 1 382.403 1.759 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccccc2F)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571196847 952984854 /nfs/dbraw/zinc/98/48/54/952984854.db2.gz PAOQWORSSMUJOT-BXUZGUMPSA-N -1 1 382.403 1.759 20 0 GDADMM Cc1c(F)cccc1C(=O)N[C@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571197227 952987377 /nfs/dbraw/zinc/98/73/77/952987377.db2.gz UQNJPSUUSLKSTF-GOSISDBHSA-N -1 1 382.403 1.503 20 0 GDADMM Cc1c(F)cccc1C(=O)N[C@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571197227 952987382 /nfs/dbraw/zinc/98/73/82/952987382.db2.gz UQNJPSUUSLKSTF-GOSISDBHSA-N -1 1 382.403 1.503 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](NC(=O)c3ccc(F)cc3)C2)n1 ZINC001571197336 952988305 /nfs/dbraw/zinc/98/83/05/952988305.db2.gz WZZDYOREWNPNIY-AWEZNQCLSA-N -1 1 382.403 1.503 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](NC(=O)c3ccc(F)cc3)C2)n1 ZINC001571197336 952988310 /nfs/dbraw/zinc/98/83/10/952988310.db2.gz WZZDYOREWNPNIY-AWEZNQCLSA-N -1 1 382.403 1.503 20 0 GDADMM O=C(Cc1ccc(F)cc1)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571197402 952989717 /nfs/dbraw/zinc/98/97/17/952989717.db2.gz ZDHXMTZJQWPNES-UHFFFAOYSA-N -1 1 382.403 1.441 20 0 GDADMM O=C(Cc1ccc(F)cc1)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571197402 952989724 /nfs/dbraw/zinc/98/97/24/952989724.db2.gz ZDHXMTZJQWPNES-UHFFFAOYSA-N -1 1 382.403 1.441 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)CC2)oc1C ZINC001571200190 953007303 /nfs/dbraw/zinc/00/73/03/953007303.db2.gz BQDJOSROIRIFJL-CYBMUJFWSA-N -1 1 382.428 1.655 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)CC2)oc1C ZINC001571200190 953007308 /nfs/dbraw/zinc/00/73/08/953007308.db2.gz BQDJOSROIRIFJL-CYBMUJFWSA-N -1 1 382.428 1.655 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@@H]([C@@H](C)Nc3cncc(-c4nnn[n-]4)n3)C2)co1 ZINC001571200498 953009385 /nfs/dbraw/zinc/00/93/85/953009385.db2.gz CQHXJVMRIJJGBS-CHWSQXEVSA-N -1 1 382.428 1.911 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@@H]([C@@H](C)Nc3cncc(-c4nn[n-]n4)n3)C2)co1 ZINC001571200498 953009388 /nfs/dbraw/zinc/00/93/88/953009388.db2.gz CQHXJVMRIJJGBS-CHWSQXEVSA-N -1 1 382.428 1.911 20 0 GDADMM Cc1coc(C)c1C(=O)N[C@H]1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571200754 953011816 /nfs/dbraw/zinc/01/18/16/953011816.db2.gz FRHCBXQOKOHZQK-STQMWFEESA-N -1 1 382.428 1.877 20 0 GDADMM Cc1coc(C)c1C(=O)N[C@H]1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571200754 953011818 /nfs/dbraw/zinc/01/18/18/953011818.db2.gz FRHCBXQOKOHZQK-STQMWFEESA-N -1 1 382.428 1.877 20 0 GDADMM O=C(c1ccccc1F)N1CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571201146 953014670 /nfs/dbraw/zinc/01/46/70/953014670.db2.gz NVGOFOOGWHDTOK-LBPRGKRZSA-N -1 1 382.403 1.903 20 0 GDADMM O=C(c1ccccc1F)N1CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571201146 953014675 /nfs/dbraw/zinc/01/46/75/953014675.db2.gz NVGOFOOGWHDTOK-LBPRGKRZSA-N -1 1 382.403 1.903 20 0 GDADMM O=C(N[C@@H]1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccc(F)cc1 ZINC001571201175 953015827 /nfs/dbraw/zinc/01/58/27/953015827.db2.gz OZQGPUXSYMOARC-UONOGXRCSA-N -1 1 382.403 1.949 20 0 GDADMM O=C(N[C@@H]1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccc(F)cc1 ZINC001571201175 953015830 /nfs/dbraw/zinc/01/58/30/953015830.db2.gz OZQGPUXSYMOARC-UONOGXRCSA-N -1 1 382.403 1.949 20 0 GDADMM Cc1cocc1C(=O)N1CCC[C@H](C)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571202729 953028044 /nfs/dbraw/zinc/02/80/44/953028044.db2.gz XMHPFSUGHGHSSR-NHYWBVRUSA-N -1 1 382.428 1.911 20 0 GDADMM Cc1cocc1C(=O)N1CCC[C@H](C)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571202729 953028047 /nfs/dbraw/zinc/02/80/47/953028047.db2.gz XMHPFSUGHGHSSR-NHYWBVRUSA-N -1 1 382.428 1.911 20 0 GDADMM CC(C)(C)c1nc(CN2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])n[nH]1 ZINC001602925778 971891084 /nfs/dbraw/zinc/89/10/84/971891084.db2.gz WPQKEYHDLBQQFM-WPRPVWTQSA-N -1 1 377.367 1.198 20 0 GDADMM CC(C)(C)c1nc(CN2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])n[nH]1 ZINC001602925776 971891310 /nfs/dbraw/zinc/89/13/10/971891310.db2.gz WPQKEYHDLBQQFM-SCZZXKLOSA-N -1 1 377.367 1.198 20 0 GDADMM Cc1oc(C)c(C(=O)N2CCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c1C ZINC001571206630 953053239 /nfs/dbraw/zinc/05/32/39/953053239.db2.gz SCFZUHHRTIYWBT-ZDUSSCGKSA-N -1 1 382.428 1.314 20 0 GDADMM CC[C@H](C)n1nccc1C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571206797 953056638 /nfs/dbraw/zinc/05/66/38/953056638.db2.gz XJTLVPGIGJFUKU-SRVKXCTJSA-N -1 1 382.432 1.197 20 0 GDADMM CC[C@H](C)n1nccc1C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571206797 953056642 /nfs/dbraw/zinc/05/66/42/953056642.db2.gz XJTLVPGIGJFUKU-SRVKXCTJSA-N -1 1 382.432 1.197 20 0 GDADMM CC1(C(=O)N2CCC[C@H]3[C@@H]2CCN3c2ccc(-c3nnn[n-]3)nn2)CCCC1 ZINC001571211589 953078547 /nfs/dbraw/zinc/07/85/47/953078547.db2.gz CMQMMGHZIKGUGD-GJZGRUSLSA-N -1 1 382.472 1.807 20 0 GDADMM CC1(C(=O)N2CCC[C@H]3[C@@H]2CCN3c2ccc(-c3nn[n-]n3)nn2)CCCC1 ZINC001571211589 953078550 /nfs/dbraw/zinc/07/85/50/953078550.db2.gz CMQMMGHZIKGUGD-GJZGRUSLSA-N -1 1 382.472 1.807 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571211709 953080819 /nfs/dbraw/zinc/08/08/19/953080819.db2.gz CXOMKGQPCWQSAQ-RZLSGREXSA-N -1 1 382.472 1.566 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571211709 953080822 /nfs/dbraw/zinc/08/08/22/953080822.db2.gz CXOMKGQPCWQSAQ-RZLSGREXSA-N -1 1 382.472 1.566 20 0 GDADMM C[C@H]1C[C@H](NC(=O)C2CC3(CCC3)C2)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571212085 953083581 /nfs/dbraw/zinc/08/35/81/953083581.db2.gz IPLHBPNUMQIGMI-GXTWGEPZSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H]1C[C@H](NC(=O)C2CC3(CCC3)C2)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571212085 953083586 /nfs/dbraw/zinc/08/35/86/953083586.db2.gz IPLHBPNUMQIGMI-GXTWGEPZSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@@H]1CCN(C(=O)C23CCC(CC2)C3)C1 ZINC001571212054 953083797 /nfs/dbraw/zinc/08/37/97/953083797.db2.gz HXUIJSHGVSHAQJ-QWHDWNGZSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)C23CCC(CC2)C3)C1 ZINC001571212054 953083801 /nfs/dbraw/zinc/08/38/01/953083801.db2.gz HXUIJSHGVSHAQJ-QWHDWNGZSA-N -1 1 382.472 1.886 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571212063 953084066 /nfs/dbraw/zinc/08/40/66/953084066.db2.gz IDCPUUOEEAXADT-XGUBFFRZSA-N -1 1 382.472 1.519 20 0 GDADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCN(C(=O)[C@@H]2CC23CCCC3)C1 ZINC001571212444 953088437 /nfs/dbraw/zinc/08/84/37/953088437.db2.gz LQPCOHBXMYKPAI-KBPBESRZSA-N -1 1 382.472 1.664 20 0 GDADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCN(C(=O)[C@@H]2CC23CCCC3)C1 ZINC001571212444 953088441 /nfs/dbraw/zinc/08/84/41/953088441.db2.gz LQPCOHBXMYKPAI-KBPBESRZSA-N -1 1 382.472 1.664 20 0 GDADMM CC1CC(C(=O)N2CC[C@]3(C2)CCCN(c2ccc(-c4nnn[n-]4)nn2)C3)C1 ZINC001571212459 953088535 /nfs/dbraw/zinc/08/85/35/953088535.db2.gz MCTCENCNUUSHRV-SVGDTCPJSA-N -1 1 382.472 1.522 20 0 GDADMM CC1CC(C(=O)N2CC[C@]3(C2)CCCN(c2ccc(-c4nn[n-]n4)nn2)C3)C1 ZINC001571212459 953088537 /nfs/dbraw/zinc/08/85/37/953088537.db2.gz MCTCENCNUUSHRV-SVGDTCPJSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)CC(C(=O)N2CC[C@H]3[C@H](CCN3c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571212561 953089317 /nfs/dbraw/zinc/08/93/17/953089317.db2.gz NEUHOPBJLHJSHB-OCCSQVGLSA-N -1 1 382.472 1.520 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCCN(C(=O)[C@]34C[C@H]3CCC4)C2)n1 ZINC001571212973 953091405 /nfs/dbraw/zinc/09/14/05/953091405.db2.gz OSWUPKFNOYQDAW-PJIJBLCYSA-N -1 1 382.472 1.806 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCCN(C(=O)[C@]34C[C@H]3CCC4)C2)n1 ZINC001571212973 953091409 /nfs/dbraw/zinc/09/14/09/953091409.db2.gz OSWUPKFNOYQDAW-PJIJBLCYSA-N -1 1 382.472 1.806 20 0 GDADMM Cc1nc(C)c(C(=O)N[C@@H]2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)[nH]1 ZINC001571213076 953092221 /nfs/dbraw/zinc/09/22/21/953092221.db2.gz QLGFNKZVGFEUMI-NWDGAFQWSA-N -1 1 382.432 1.150 20 0 GDADMM Cc1nc(C)c(C(=O)N[C@@H]2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)[nH]1 ZINC001571213076 953092223 /nfs/dbraw/zinc/09/22/23/953092223.db2.gz QLGFNKZVGFEUMI-NWDGAFQWSA-N -1 1 382.432 1.150 20 0 GDADMM CN(C(=O)[C@H]1[C@@H]2CCCC[C@@H]21)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571214048 953098399 /nfs/dbraw/zinc/09/83/99/953098399.db2.gz VWJJATKBESPCIM-HALDLXJZSA-N -1 1 382.472 1.520 20 0 GDADMM CN(C(=O)[C@H]1[C@@H]2CCCC[C@@H]21)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571214048 953098407 /nfs/dbraw/zinc/09/84/07/953098407.db2.gz VWJJATKBESPCIM-HALDLXJZSA-N -1 1 382.472 1.520 20 0 GDADMM CC1(C)C[C@H](NC(=O)C2=CCCC2)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571214006 953098654 /nfs/dbraw/zinc/09/86/54/953098654.db2.gz UYUQGNFULWWLNW-CQSZACIVSA-N -1 1 382.472 1.878 20 0 GDADMM CC1(C)C[C@H](NC(=O)C2=CCCC2)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571214006 953098657 /nfs/dbraw/zinc/09/86/57/953098657.db2.gz UYUQGNFULWWLNW-CQSZACIVSA-N -1 1 382.472 1.878 20 0 GDADMM CN(C[C@H]1CCCCN1C(=O)[C@@H]1CC12CCC2)c1ccc(-c2nnn[n-]2)nn1 ZINC001571214100 953099925 /nfs/dbraw/zinc/09/99/25/953099925.db2.gz WXQNUEYWYLMZCK-KGLIPLIRSA-N -1 1 382.472 1.664 20 0 GDADMM CN(C[C@H]1CCCCN1C(=O)[C@@H]1CC12CCC2)c1ccc(-c2nn[n-]n2)nn1 ZINC001571214100 953099929 /nfs/dbraw/zinc/09/99/29/953099929.db2.gz WXQNUEYWYLMZCK-KGLIPLIRSA-N -1 1 382.472 1.664 20 0 GDADMM CC(C)(C)C12CC(C(=O)N3CC[C@H](Nc4ccc(-c5nnn[n-]5)nn4)C3)(C1)C2 ZINC001571214313 953101733 /nfs/dbraw/zinc/10/17/33/953101733.db2.gz XAHVETBULCFMBS-RMEHTXHKSA-N -1 1 382.472 1.886 20 0 GDADMM CC(C)(C)C12CC(C(=O)N3CC[C@H](Nc4ccc(-c5nn[n-]n5)nn4)C3)(C1)C2 ZINC001571214313 953101736 /nfs/dbraw/zinc/10/17/36/953101736.db2.gz XAHVETBULCFMBS-RMEHTXHKSA-N -1 1 382.472 1.886 20 0 GDADMM CC[C@H]1CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)CC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571214395 953101833 /nfs/dbraw/zinc/10/18/33/953101833.db2.gz YFEQFYORQNSHRW-VQJWOFKYSA-N -1 1 382.472 1.742 20 0 GDADMM CC[C@H]1CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)CC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571214395 953101837 /nfs/dbraw/zinc/10/18/37/953101837.db2.gz YFEQFYORQNSHRW-VQJWOFKYSA-N -1 1 382.472 1.742 20 0 GDADMM C[C@]1(CNc2nccnc2-c2nnn[n-]2)CCN(C(=O)c2ncccc2F)C1 ZINC001571217422 953107924 /nfs/dbraw/zinc/10/79/24/953107924.db2.gz LPZUDUOAZNOFBT-QGZVFWFLSA-N -1 1 383.391 1.155 20 0 GDADMM C[C@]1(CNc2nccnc2-c2nn[n-]n2)CCN(C(=O)c2ncccc2F)C1 ZINC001571217422 953107927 /nfs/dbraw/zinc/10/79/27/953107927.db2.gz LPZUDUOAZNOFBT-QGZVFWFLSA-N -1 1 383.391 1.155 20 0 GDADMM CC1(Nc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)c2ccncc2F)CC1 ZINC001571217851 953110933 /nfs/dbraw/zinc/11/09/33/953110933.db2.gz QGRRUQMMMKWNOX-UHFFFAOYSA-N -1 1 383.391 1.298 20 0 GDADMM CC1(Nc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)c2ccncc2F)CC1 ZINC001571217851 953110935 /nfs/dbraw/zinc/11/09/35/953110935.db2.gz QGRRUQMMMKWNOX-UHFFFAOYSA-N -1 1 383.391 1.298 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1)c1cscn1 ZINC001571218458 953114788 /nfs/dbraw/zinc/11/47/88/953114788.db2.gz OQGRQNRDRCQRFT-OLQVQODUSA-N -1 1 382.862 1.806 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1)c1cscn1 ZINC001571218458 953114791 /nfs/dbraw/zinc/11/47/91/953114791.db2.gz OQGRQNRDRCQRFT-OLQVQODUSA-N -1 1 382.862 1.806 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)[C@H]1C[C@H]1C1CCCC1 ZINC001571218486 953115687 /nfs/dbraw/zinc/11/56/87/953115687.db2.gz PDGTXHAAGHLTPD-MXAVVETBSA-N -1 1 382.472 1.790 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)[C@H]1C[C@H]1C1CCCC1 ZINC001571218486 953115688 /nfs/dbraw/zinc/11/56/88/953115688.db2.gz PDGTXHAAGHLTPD-MXAVVETBSA-N -1 1 382.472 1.790 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCN(C(=O)c3ccncc3F)C2)n1 ZINC001571218792 953118750 /nfs/dbraw/zinc/11/87/50/953118750.db2.gz DTWNOTUGVKMNJP-LLVKDONJSA-N -1 1 383.391 1.216 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCN(C(=O)c3ccncc3F)C2)n1 ZINC001571218792 953118752 /nfs/dbraw/zinc/11/87/52/953118752.db2.gz DTWNOTUGVKMNJP-LLVKDONJSA-N -1 1 383.391 1.216 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CN(C(=O)c3ccc(F)cn3)C[C@H]2C)n1 ZINC001571219186 953123593 /nfs/dbraw/zinc/12/35/93/953123593.db2.gz LOPCDMCIUWKIKM-YMTOWFKASA-N -1 1 383.391 1.072 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CN(C(=O)c3ccc(F)cn3)C[C@H]2C)n1 ZINC001571219186 953123595 /nfs/dbraw/zinc/12/35/95/953123595.db2.gz LOPCDMCIUWKIKM-YMTOWFKASA-N -1 1 383.391 1.072 20 0 GDADMM CCc1oncc1C(=O)N[C@@H]1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571222319 953133411 /nfs/dbraw/zinc/13/34/11/953133411.db2.gz DPSXVSIMLNCNAS-WDEREUQCSA-N -1 1 383.416 1.360 20 0 GDADMM CCc1oncc1C(=O)N[C@@H]1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571222319 953133415 /nfs/dbraw/zinc/13/34/15/953133415.db2.gz DPSXVSIMLNCNAS-WDEREUQCSA-N -1 1 383.416 1.360 20 0 GDADMM CCc1ocnc1C(=O)N1C[C@H](C)[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571223076 953141250 /nfs/dbraw/zinc/14/12/50/953141250.db2.gz QCGPZVOHXICLKQ-WDEREUQCSA-N -1 1 383.416 1.027 20 0 GDADMM CCc1ocnc1C(=O)N1C[C@H](C)[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571223076 953141251 /nfs/dbraw/zinc/14/12/51/953141251.db2.gz QCGPZVOHXICLKQ-WDEREUQCSA-N -1 1 383.416 1.027 20 0 GDADMM CC(C)c1cc(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)on1 ZINC001571224157 953149112 /nfs/dbraw/zinc/14/91/12/953149112.db2.gz ZQUCTSGDEWXVFC-XYPYZODXSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1cc(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)on1 ZINC001571224157 953149115 /nfs/dbraw/zinc/14/91/15/953149115.db2.gz ZQUCTSGDEWXVFC-XYPYZODXSA-N -1 1 383.416 1.389 20 0 GDADMM Cc1nc(C(=O)N2CCCC[C@H]2CN(C)c2nccnc2-c2nnn[n-]2)co1 ZINC001571225598 953153816 /nfs/dbraw/zinc/15/38/16/953153816.db2.gz KXLXZZMNMZPYCQ-LBPRGKRZSA-N -1 1 383.416 1.084 20 0 GDADMM Cc1nc(C(=O)N2CCCC[C@H]2CN(C)c2nccnc2-c2nn[n-]n2)co1 ZINC001571225598 953153818 /nfs/dbraw/zinc/15/38/18/953153818.db2.gz KXLXZZMNMZPYCQ-LBPRGKRZSA-N -1 1 383.416 1.084 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC2CCC(NC(=O)Cc3cnoc3)CC2)n1 ZINC001571227098 953158406 /nfs/dbraw/zinc/15/84/06/953158406.db2.gz YOBVTLKACQFBNA-UHFFFAOYSA-N -1 1 383.416 1.035 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC2CCC(NC(=O)Cc3cnoc3)CC2)n1 ZINC001571227098 953158407 /nfs/dbraw/zinc/15/84/07/953158407.db2.gz YOBVTLKACQFBNA-UHFFFAOYSA-N -1 1 383.416 1.035 20 0 GDADMM Cc1oc(C(C)C)nc1C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571228673 953165886 /nfs/dbraw/zinc/16/58/86/953165886.db2.gz VLXCRYCZCSXCOK-XYPYZODXSA-N -1 1 383.416 1.449 20 0 GDADMM Cc1oc(C(C)C)nc1C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571228673 953165889 /nfs/dbraw/zinc/16/58/89/953165889.db2.gz VLXCRYCZCSXCOK-XYPYZODXSA-N -1 1 383.416 1.449 20 0 GDADMM C[C@@H](CNS(=O)(=O)c1ccsc1-c1nn[n-]n1)Oc1cccc(F)c1 ZINC001571229369 953168996 /nfs/dbraw/zinc/16/89/96/953168996.db2.gz CWXBUDCXLFPFAB-VIFPVBQESA-N -1 1 383.430 1.813 20 0 GDADMM CC[C@@H](F)C(=O)N1CCCO[C@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571230828 953180144 /nfs/dbraw/zinc/18/01/44/953180144.db2.gz LKBZXGAJLFRLNK-GHMZBOCLSA-N -1 1 383.453 1.409 20 0 GDADMM O=C(C1CC1)N1CCc2sc(CNc3nccnc3-c3nnn[n-]3)nc2C1 ZINC001571230921 953181195 /nfs/dbraw/zinc/18/11/95/953181195.db2.gz NKPWYBQYCKJJPQ-UHFFFAOYSA-N -1 1 383.441 1.020 20 0 GDADMM O=C(C1CC1)N1CCc2sc(CNc3nccnc3-c3nn[n-]n3)nc2C1 ZINC001571230921 953181198 /nfs/dbraw/zinc/18/11/98/953181198.db2.gz NKPWYBQYCKJJPQ-UHFFFAOYSA-N -1 1 383.441 1.020 20 0 GDADMM O=C(NC[C@H]1CCCN1c1nc(-c2nn[n-]n2)c(Cl)s1)[C@H]1CCCO1 ZINC001571234517 953202931 /nfs/dbraw/zinc/20/29/31/953202931.db2.gz ANPCAWNWFMQLIF-RKDXNWHRSA-N -1 1 383.865 1.241 20 0 GDADMM O=C([C@@H]1CCOC1)N1CC[C@@H](CNc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571234551 953203011 /nfs/dbraw/zinc/20/30/11/953203011.db2.gz BKEJCXGSYIOEBG-DTWKUNHWSA-N -1 1 383.865 1.274 20 0 GDADMM C[C@@H]1C[C@@H](C(=O)N2CCN(c3snc(Cl)c3-c3nnn[n-]3)CC2)CO1 ZINC001571234658 953204295 /nfs/dbraw/zinc/20/42/95/953204295.db2.gz FHKGKHXUJQNHQU-RKDXNWHRSA-N -1 1 383.865 1.050 20 0 GDADMM C[C@@H]1C[C@@H](C(=O)N2CCN(c3snc(Cl)c3-c3nn[n-]n3)CC2)CO1 ZINC001571234658 953204296 /nfs/dbraw/zinc/20/42/96/953204296.db2.gz FHKGKHXUJQNHQU-RKDXNWHRSA-N -1 1 383.865 1.050 20 0 GDADMM CC(=O)N1C[C@H](C)O[C@@]2(CCN(c3nc(-c4nn[n-]n4)c(Cl)s3)C2)C1 ZINC001571234889 953206990 /nfs/dbraw/zinc/20/69/90/953206990.db2.gz LVZKLNUJUZPBNM-RMLUDKJBSA-N -1 1 383.865 1.193 20 0 GDADMM O=C(N[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1)C1CCOCC1 ZINC001571235033 953207722 /nfs/dbraw/zinc/20/77/22/953207722.db2.gz QQYJMDITZKNUJD-SECBINFHSA-N -1 1 383.865 1.098 20 0 GDADMM O=C(N[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1)C1CCOCC1 ZINC001571235033 953207726 /nfs/dbraw/zinc/20/77/26/953207726.db2.gz QQYJMDITZKNUJD-SECBINFHSA-N -1 1 383.865 1.098 20 0 GDADMM COCC(=O)N1CCC[C@@H]2[C@H]1CCN2c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001571235273 953210276 /nfs/dbraw/zinc/21/02/76/953210276.db2.gz YQEQOCCTDNMCOX-RKDXNWHRSA-N -1 1 383.865 1.193 20 0 GDADMM COCc1ccc(C(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C[C@@H]2C)o1 ZINC001571236383 953217670 /nfs/dbraw/zinc/21/76/70/953217670.db2.gz YENXHLWCPOOBKZ-WDEREUQCSA-N -1 1 384.400 1.111 20 0 GDADMM COCc1ccc(C(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C[C@@H]2C)o1 ZINC001571236383 953217672 /nfs/dbraw/zinc/21/76/72/953217672.db2.gz YENXHLWCPOOBKZ-WDEREUQCSA-N -1 1 384.400 1.111 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)c(C)s1 ZINC001571244615 953264781 /nfs/dbraw/zinc/26/47/81/953264781.db2.gz CGIDGPVGLZVWKL-GFCCVEGCSA-N -1 1 384.469 1.734 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)c(C)s1 ZINC001571244615 953264784 /nfs/dbraw/zinc/26/47/84/953264784.db2.gz CGIDGPVGLZVWKL-GFCCVEGCSA-N -1 1 384.469 1.734 20 0 GDADMM Cc1ccsc1C(=O)N1CC[C@@H]([C@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571244637 953265906 /nfs/dbraw/zinc/26/59/06/953265906.db2.gz CUAFETGLQZAJQL-NWDGAFQWSA-N -1 1 384.469 1.989 20 0 GDADMM Cc1ccsc1C(=O)N1CC[C@@H]([C@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571244637 953265909 /nfs/dbraw/zinc/26/59/09/953265909.db2.gz CUAFETGLQZAJQL-NWDGAFQWSA-N -1 1 384.469 1.989 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2C[C@@H](CNc3nc(C)cc(-c4nnn[n-]4)n3)C2)s1 ZINC001571244832 953267702 /nfs/dbraw/zinc/26/77/02/953267702.db2.gz JYBCBANWUGNIMG-HAQNSBGRSA-N -1 1 384.469 1.956 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2C[C@@H](CNc3nc(C)cc(-c4nn[n-]n4)n3)C2)s1 ZINC001571244832 953267707 /nfs/dbraw/zinc/26/77/07/953267707.db2.gz JYBCBANWUGNIMG-HAQNSBGRSA-N -1 1 384.469 1.956 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C)c1ccsc1 ZINC001571244949 953269170 /nfs/dbraw/zinc/26/91/70/953269170.db2.gz AWXNWFJZVRSWJZ-NQBHXWOUSA-N -1 1 384.469 1.463 20 0 GDADMM Cc1nsc(N2CCC(NC(=O)c3ccncc3C)CC2)c1-c1nn[n-]n1 ZINC001571245191 953271775 /nfs/dbraw/zinc/27/17/75/953271775.db2.gz PBRRLSAHROAVDL-UHFFFAOYSA-N -1 1 384.469 1.734 20 0 GDADMM CCN(C(=O)c1ccc(C)s1)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571245636 953275269 /nfs/dbraw/zinc/27/52/69/953275269.db2.gz XSOKCYLDGMVYFY-GFCCVEGCSA-N -1 1 384.469 1.768 20 0 GDADMM CCN(C(=O)c1ccc(C)s1)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571245636 953275275 /nfs/dbraw/zinc/27/52/75/953275275.db2.gz XSOKCYLDGMVYFY-GFCCVEGCSA-N -1 1 384.469 1.768 20 0 GDADMM CC1(C)CN(c2cnc(-c3nnn[n-]3)cn2)CC[C@@H]1NC(=O)c1ccsc1 ZINC001571245840 953277667 /nfs/dbraw/zinc/27/76/67/953277667.db2.gz MUTRSCQQARGAMA-ZDUSSCGKSA-N -1 1 384.469 1.753 20 0 GDADMM CC1(C)CN(c2cnc(-c3nn[n-]n3)cn2)CC[C@@H]1NC(=O)c1ccsc1 ZINC001571245840 953277671 /nfs/dbraw/zinc/27/76/71/953277671.db2.gz MUTRSCQQARGAMA-ZDUSSCGKSA-N -1 1 384.469 1.753 20 0 GDADMM C[C@H]1C[C@@H](NC(=O)Cc2ccsc2)CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571246209 953281206 /nfs/dbraw/zinc/28/12/06/953281206.db2.gz WBFFTDBRUVKMPE-AAEUAGOBSA-N -1 1 384.469 1.434 20 0 GDADMM C[C@H]1C[C@@H](NC(=O)Cc2ccsc2)CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571246209 953281208 /nfs/dbraw/zinc/28/12/08/953281208.db2.gz WBFFTDBRUVKMPE-AAEUAGOBSA-N -1 1 384.469 1.434 20 0 GDADMM O=C(Cc1ccsc1)N[C@@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571248750 953297223 /nfs/dbraw/zinc/29/72/23/953297223.db2.gz ZDKYBRNZKBETQF-WCQYABFASA-N -1 1 384.469 1.080 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001571249042 953300122 /nfs/dbraw/zinc/30/01/22/953300122.db2.gz BQNKAMXOADIKNO-UONOGXRCSA-N -1 1 384.488 1.555 20 0 GDADMM C[C@@H]1CN(C(=O)CC2CCCCCC2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571249078 953300305 /nfs/dbraw/zinc/30/03/05/953300305.db2.gz CPNBDTLOLNGVMJ-UKRRQHHQSA-N -1 1 384.488 1.698 20 0 GDADMM CC1(C)CN(c2cncc(-c3nnn[n-]3)n2)CC[C@@H]1NC(=O)C1CCCCC1 ZINC001571249329 953303852 /nfs/dbraw/zinc/30/38/52/953303852.db2.gz HQFONUOBDDIPAN-HNNXBMFYSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CN(c2cncc(-c3nn[n-]n3)n2)CC[C@@H]1NC(=O)C1CCCCC1 ZINC001571249329 953303856 /nfs/dbraw/zinc/30/38/56/953303856.db2.gz HQFONUOBDDIPAN-HNNXBMFYSA-N -1 1 384.488 1.958 20 0 GDADMM CC[C@@H]1CCC[C@H]1C(=O)N1CCC(N(C)c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571249366 953304980 /nfs/dbraw/zinc/30/49/80/953304980.db2.gz HZABWKSRGLBZKP-UKRRQHHQSA-N -1 1 384.488 1.910 20 0 GDADMM CC[C@@H]1CCC[C@H]1C(=O)N1CCC(N(C)c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571249366 953304983 /nfs/dbraw/zinc/30/49/83/953304983.db2.gz HZABWKSRGLBZKP-UKRRQHHQSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CC(=O)N1CCCC[C@H]1[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571249433 953305002 /nfs/dbraw/zinc/30/50/02/953305002.db2.gz JAZHYIROVKGTIY-GJZGRUSLSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CC(=O)N1CCCC[C@H]1[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571249433 953305005 /nfs/dbraw/zinc/30/50/05/953305005.db2.gz JAZHYIROVKGTIY-GJZGRUSLSA-N -1 1 384.488 1.910 20 0 GDADMM CC1(C)CCCC[C@H]1CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571250661 953312486 /nfs/dbraw/zinc/31/24/86/953312486.db2.gz RTKCJIHKYRBCBP-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H](C)CC2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571250808 953313551 /nfs/dbraw/zinc/31/35/51/953313551.db2.gz SSVNBSBTJUUGBW-KBUPBQIOSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H](C)CC2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571250808 953313557 /nfs/dbraw/zinc/31/35/57/953313557.db2.gz SSVNBSBTJUUGBW-KBUPBQIOSA-N -1 1 384.488 1.989 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)CC1CC(C)(C)C1)c1nccnc1-c1nnn[n-]1 ZINC001571251993 953321271 /nfs/dbraw/zinc/32/12/71/953321271.db2.gz DSIBWIOPIDEHBX-CQSZACIVSA-N -1 1 384.488 1.910 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)CC1CC(C)(C)C1)c1nccnc1-c1nn[n-]n1 ZINC001571251993 953321275 /nfs/dbraw/zinc/32/12/75/953321275.db2.gz DSIBWIOPIDEHBX-CQSZACIVSA-N -1 1 384.488 1.910 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2C[C@H](NC(=O)C3C(C)(C)C3(C)C)C2)n1 ZINC001571252264 953325824 /nfs/dbraw/zinc/32/58/24/953325824.db2.gz JEABWRLMSKNFFC-HAQNSBGRSA-N -1 1 384.488 1.954 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2C[C@H](NC(=O)C3C(C)(C)C3(C)C)C2)n1 ZINC001571252264 953325830 /nfs/dbraw/zinc/32/58/30/953325830.db2.gz JEABWRLMSKNFFC-HAQNSBGRSA-N -1 1 384.488 1.954 20 0 GDADMM C[C@@H](NC(=O)[C@H]1CCC1(C)C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571252291 953326619 /nfs/dbraw/zinc/32/66/19/953326619.db2.gz JVMPVQKJSRLWBF-TZMCWYRMSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](NC(=O)[C@H]1CCC1(C)C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571252291 953326624 /nfs/dbraw/zinc/32/66/24/953326624.db2.gz JVMPVQKJSRLWBF-TZMCWYRMSA-N -1 1 384.488 1.814 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(CNC(=O)[C@H]3C[C@H]3C(C)C)CC2)n1 ZINC001571252775 953333374 /nfs/dbraw/zinc/33/33/74/953333374.db2.gz WFAXPYAMFUSEHF-GJZGRUSLSA-N -1 1 384.488 1.590 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(CNC(=O)[C@H]3C[C@H]3C(C)C)CC2)n1 ZINC001571252775 953333379 /nfs/dbraw/zinc/33/33/79/953333379.db2.gz WFAXPYAMFUSEHF-GJZGRUSLSA-N -1 1 384.488 1.590 20 0 GDADMM O=C(N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)c1cccc(Cl)c1 ZINC001571254632 953341138 /nfs/dbraw/zinc/34/11/38/953341138.db2.gz FKBOZSNRMDCCHO-CYBMUJFWSA-N -1 1 384.831 1.709 20 0 GDADMM O=C(N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)c1cccc(Cl)c1 ZINC001571254632 953341141 /nfs/dbraw/zinc/34/11/41/953341141.db2.gz FKBOZSNRMDCCHO-CYBMUJFWSA-N -1 1 384.831 1.709 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccccc1Cl ZINC001571255106 953345417 /nfs/dbraw/zinc/34/54/17/953345417.db2.gz IMCLHROBKQOFOK-NSHDSACASA-N -1 1 384.831 1.709 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccccc1Cl ZINC001571255106 953345421 /nfs/dbraw/zinc/34/54/21/953345421.db2.gz IMCLHROBKQOFOK-NSHDSACASA-N -1 1 384.831 1.709 20 0 GDADMM O=C(NC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)c1ccc(Cl)cc1 ZINC001571255157 953345742 /nfs/dbraw/zinc/34/57/42/953345742.db2.gz KDCYTZJFZYMXMQ-ZDUSSCGKSA-N -1 1 384.831 1.709 20 0 GDADMM O=C(NC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)c1ccc(Cl)cc1 ZINC001571255157 953345745 /nfs/dbraw/zinc/34/57/45/953345745.db2.gz KDCYTZJFZYMXMQ-ZDUSSCGKSA-N -1 1 384.831 1.709 20 0 GDADMM Cc1cc(Cl)ccc1C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571255538 953351144 /nfs/dbraw/zinc/35/11/44/953351144.db2.gz NLORCSHAFYVFRK-TXEJJXNPSA-N -1 1 384.831 1.991 20 0 GDADMM Cc1cc(Cl)ccc1C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571255538 953351147 /nfs/dbraw/zinc/35/11/47/953351147.db2.gz NLORCSHAFYVFRK-TXEJJXNPSA-N -1 1 384.831 1.991 20 0 GDADMM O=C([O-])C1CC2(C1)CC[C@@H](CNC(=O)c1ncc(Br)cc1O)O2 ZINC001594750852 953429204 /nfs/dbraw/zinc/42/92/04/953429204.db2.gz RUHBEFSFWMKDFK-VGWYGZTPSA-N -1 1 385.214 1.692 20 0 GDADMM O=C([O-])CC[C@H]1CCCCN1CC(=O)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000424252394 953437146 /nfs/dbraw/zinc/43/71/46/953437146.db2.gz DINIJSVYMRFZPK-CYBMUJFWSA-N -1 1 383.395 1.739 20 0 GDADMM CC(C)(CCNC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)C(=O)[O-] ZINC000424405275 953470205 /nfs/dbraw/zinc/47/02/05/953470205.db2.gz OAFNPXBUACNUNT-DLBZAZTESA-N -1 1 377.485 1.670 20 0 GDADMM CC[C@@H](CNS(=O)(=O)N1CCC(C(=O)[O-])CC1)N1CCc2ccccc2C1 ZINC000566181343 953619767 /nfs/dbraw/zinc/61/97/67/953619767.db2.gz YVTJGZMQHCQGLU-SFHVURJKSA-N -1 1 395.525 1.454 20 0 GDADMM 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/nfs/dbraw/zinc/24/28/15/532242815.db2.gz WMAUTXCYOWKNJW-UHFFFAOYSA-N -1 1 383.817 1.433 20 0 GDADMM CCOC(=O)[C@H](C)[C@H](C)[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000287900433 532249254 /nfs/dbraw/zinc/24/92/54/532249254.db2.gz SEASXBXZEVNBGY-SFYZADRCSA-N -1 1 382.280 1.357 20 0 GDADMM O=C([O-])[C@@H](CN1CCCCC1)NS(=O)(=O)c1cncc(Br)c1 ZINC000275002594 532252445 /nfs/dbraw/zinc/25/24/45/532252445.db2.gz OHOTUSSMNUVYQA-GFCCVEGCSA-N -1 1 392.275 1.062 20 0 GDADMM COC(=O)c1ncsc1S(=O)(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000275015153 532252882 /nfs/dbraw/zinc/25/28/82/532252882.db2.gz NWHVGLMMCXOSKW-GXSJLCMTSA-N -1 1 384.435 1.670 20 0 GDADMM O=C(CN1CN=NC1=O)Nc1cc([O-])c(Br)cc1Br ZINC000431445628 532266167 /nfs/dbraw/zinc/26/61/67/532266167.db2.gz OOCJFJYKZDSBSB-UHFFFAOYSA-N -1 1 392.007 1.853 20 0 GDADMM CS(=O)(=O)c1cc(S(=O)(=O)[N-][C@@H](C2CC2)C(F)(F)F)ccc1F ZINC000288272100 532278588 /nfs/dbraw/zinc/27/85/88/532278588.db2.gz DLEQKVKHHLMXAA-NSHDSACASA-N -1 1 375.365 1.848 20 0 GDADMM C[C@@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1F)c1ncn(C)n1 ZINC000275741894 532308345 /nfs/dbraw/zinc/30/83/45/532308345.db2.gz ZOINETIOKZCUJY-ZCFIWIBFSA-N -1 1 381.202 1.895 20 0 GDADMM Cc1nn(C)cc1S(=O)(=O)[N-]c1cc(NS(C)(=O)=O)ccc1Cl ZINC000288534927 532295620 /nfs/dbraw/zinc/29/56/20/532295620.db2.gz OLUWIJFAAJRJOZ-UHFFFAOYSA-N -1 1 378.863 1.554 20 0 GDADMM COC(=O)c1ccccc1S(=O)(=O)[N-]c1cc(S(C)(=O)=O)ccc1F ZINC000392985904 532300136 /nfs/dbraw/zinc/30/01/36/532300136.db2.gz BEUSEAYVDHNSSB-UHFFFAOYSA-N -1 1 387.410 1.817 20 0 GDADMM CCO[C@@H]1C[C@]([N-]S(=O)(=O)c2c(C)nn(C)c2Cl)(C(=O)OC)C1(C)C ZINC000275988967 532316851 /nfs/dbraw/zinc/31/68/51/532316851.db2.gz PXXCPPJXYBPHRL-BMIGLBTASA-N -1 1 393.893 1.407 20 0 GDADMM CCS(=O)(=O)C[C@@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000736657605 598824545 /nfs/dbraw/zinc/82/45/45/598824545.db2.gz ULPFBODKQZYTJS-SNVBAGLBSA-N -1 1 392.441 1.112 20 0 GDADMM CCS(=O)(=O)C[C@@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000736657605 598824546 /nfs/dbraw/zinc/82/45/46/598824546.db2.gz ULPFBODKQZYTJS-SNVBAGLBSA-N -1 1 392.441 1.112 20 0 GDADMM O=C(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)[C@@H]1CCC(=O)NC1 ZINC000738300327 598835102 /nfs/dbraw/zinc/83/51/02/598835102.db2.gz DJSFTTGIFXBNSY-CYBMUJFWSA-N -1 1 382.449 1.738 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCN(C2CCC2)CC1 ZINC000738355171 598876300 /nfs/dbraw/zinc/87/63/00/598876300.db2.gz MQRHNSNUJDZILT-UHFFFAOYSA-N -1 1 382.877 1.379 20 0 GDADMM O=S(=O)(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)[C@@H]1CCOC1 ZINC000738346291 598876517 /nfs/dbraw/zinc/87/65/17/598876517.db2.gz XSKSJHBKKCFDNK-CYBMUJFWSA-N -1 1 391.478 1.804 20 0 GDADMM NS(=O)(=O)c1cccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000737769004 598936721 /nfs/dbraw/zinc/93/67/21/598936721.db2.gz CEFMPCDSKHPZGH-UHFFFAOYSA-N -1 1 382.409 1.069 20 0 GDADMM NS(=O)(=O)c1cccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000737769004 598936723 /nfs/dbraw/zinc/93/67/23/598936723.db2.gz CEFMPCDSKHPZGH-UHFFFAOYSA-N -1 1 382.409 1.069 20 0 GDADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2 ZINC000737225288 598947795 /nfs/dbraw/zinc/94/77/95/598947795.db2.gz MBOHTZWUFWXBMG-UHFFFAOYSA-N -1 1 384.421 1.861 20 0 GDADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc(-c2nn[nH]n2)cc1 ZINC000737226027 598949164 /nfs/dbraw/zinc/94/91/64/598949164.db2.gz YOJUMQDHNRGHBI-UHFFFAOYSA-N -1 1 383.397 1.156 20 0 GDADMM CC(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)cc1 ZINC000735482734 598949558 /nfs/dbraw/zinc/94/95/58/598949558.db2.gz UOBBXWJCCZJCQD-UHFFFAOYSA-N -1 1 386.437 1.612 20 0 GDADMM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2C)cc1OC ZINC000821846576 607255696 /nfs/dbraw/zinc/25/56/96/607255696.db2.gz UVHYHUDBMVEDCR-UHFFFAOYSA-N -1 1 375.410 1.993 20 0 GDADMM Cn1cccc1[C@H]1CCCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737611070 598970988 /nfs/dbraw/zinc/97/09/88/598970988.db2.gz BRAUFUGDRZVPTN-OAHLLOKOSA-N -1 1 376.417 1.870 20 0 GDADMM CCC[C@@H](C(=O)OCC)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000736417691 598981493 /nfs/dbraw/zinc/98/14/93/598981493.db2.gz UTCZMMCFTDCYIX-ZDUSSCGKSA-N -1 1 389.460 1.586 20 0 GDADMM COc1cc([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc(OC)c1OC ZINC000737044003 598992872 /nfs/dbraw/zinc/99/28/72/598992872.db2.gz YUAUHUNKVIDTFY-SNVBAGLBSA-N -1 1 384.396 1.779 20 0 GDADMM COc1cc([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc(OC)c1OC ZINC000737044003 598992874 /nfs/dbraw/zinc/99/28/74/598992874.db2.gz YUAUHUNKVIDTFY-SNVBAGLBSA-N -1 1 384.396 1.779 20 0 GDADMM O=C(NCc1cccc(CN2CCCC2=O)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738117413 598993327 /nfs/dbraw/zinc/99/33/27/598993327.db2.gz ROSMWHXOKPCRMI-UHFFFAOYSA-N -1 1 377.408 1.314 20 0 GDADMM O=C(NCc1cccc(CN2CCCC2=O)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738117413 598993328 /nfs/dbraw/zinc/99/33/28/598993328.db2.gz ROSMWHXOKPCRMI-UHFFFAOYSA-N -1 1 377.408 1.314 20 0 GDADMM O=C(NC1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1)C1CCCCC1 ZINC000738021282 598998844 /nfs/dbraw/zinc/99/88/44/598998844.db2.gz BMKCMJYMDXXADQ-UHFFFAOYSA-N -1 1 383.456 1.563 20 0 GDADMM O=C(NC1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1)C1CCCCC1 ZINC000738021282 598998847 /nfs/dbraw/zinc/99/88/47/598998847.db2.gz BMKCMJYMDXXADQ-UHFFFAOYSA-N -1 1 383.456 1.563 20 0 GDADMM Cc1cc(C(=O)NC2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)c(C)o1 ZINC000737235072 599001784 /nfs/dbraw/zinc/00/17/84/599001784.db2.gz QHOYPMFMMWYHNT-UHFFFAOYSA-N -1 1 395.423 1.506 20 0 GDADMM Cc1cc(C(=O)NC2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)c(C)o1 ZINC000737235072 599001786 /nfs/dbraw/zinc/00/17/86/599001786.db2.gz QHOYPMFMMWYHNT-UHFFFAOYSA-N -1 1 395.423 1.506 20 0 GDADMM CC[C@@H]1COCCN1C(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000736410489 599018562 /nfs/dbraw/zinc/01/85/62/599018562.db2.gz YEUQJNSIGKLILA-CYBMUJFWSA-N -1 1 384.444 1.096 20 0 GDADMM CC[C@@H]1COCCN1C(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000736410489 599018564 /nfs/dbraw/zinc/01/85/64/599018564.db2.gz YEUQJNSIGKLILA-CYBMUJFWSA-N -1 1 384.444 1.096 20 0 GDADMM CS(=O)(=O)Nc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1Cl ZINC000737167548 599020791 /nfs/dbraw/zinc/02/07/91/599020791.db2.gz CNOWBKHTSDOAQU-UHFFFAOYSA-N -1 1 393.816 1.539 20 0 GDADMM CS(=O)(=O)Nc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1Cl ZINC000737167548 599020794 /nfs/dbraw/zinc/02/07/94/599020794.db2.gz CNOWBKHTSDOAQU-UHFFFAOYSA-N -1 1 393.816 1.539 20 0 GDADMM O=C(CCC1CCCC1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000737824086 599021148 /nfs/dbraw/zinc/02/11/48/599021148.db2.gz OAIZGLPQSDWHIT-UHFFFAOYSA-N -1 1 383.456 1.517 20 0 GDADMM O=C(CCC1CCCC1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000737824086 599021149 /nfs/dbraw/zinc/02/11/49/599021149.db2.gz OAIZGLPQSDWHIT-UHFFFAOYSA-N -1 1 383.456 1.517 20 0 GDADMM O=C(NCc1cccc(NC(=O)N2CCCC2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738117580 599024625 /nfs/dbraw/zinc/02/46/25/599024625.db2.gz UAYBJCOXIWCSOS-UHFFFAOYSA-N -1 1 392.423 1.819 20 0 GDADMM O=C(NCc1cccc(NC(=O)N2CCCC2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738117580 599024626 /nfs/dbraw/zinc/02/46/26/599024626.db2.gz UAYBJCOXIWCSOS-UHFFFAOYSA-N -1 1 392.423 1.819 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H](C2N=NC(=S)N2C2CC2)C1 ZINC000738259265 599032750 /nfs/dbraw/zinc/03/27/50/599032750.db2.gz PNMBGKOATSZMRE-NSHDSACASA-N -1 1 397.468 1.497 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H](C2N=NC(=S)N2C2CC2)C1 ZINC000738259265 599032752 /nfs/dbraw/zinc/03/27/52/599032752.db2.gz PNMBGKOATSZMRE-NSHDSACASA-N -1 1 397.468 1.497 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N(Cc1ccco1)c1ccccn1 ZINC000738352952 599051301 /nfs/dbraw/zinc/05/13/01/599051301.db2.gz DMICIRQCQIONEA-UHFFFAOYSA-N -1 1 383.393 1.645 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N(Cc1ccco1)c1ccccn1 ZINC000738352952 599051304 /nfs/dbraw/zinc/05/13/04/599051304.db2.gz DMICIRQCQIONEA-UHFFFAOYSA-N -1 1 383.393 1.645 20 0 GDADMM COc1cc(C)nc(N2CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)n1 ZINC000737039884 599054338 /nfs/dbraw/zinc/05/43/38/599054338.db2.gz LQHAVBRHOFZFCA-UHFFFAOYSA-N -1 1 387.835 1.349 20 0 GDADMM COc1cc(C)nc(N2CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)n1 ZINC000737039884 599054341 /nfs/dbraw/zinc/05/43/41/599054341.db2.gz LQHAVBRHOFZFCA-UHFFFAOYSA-N -1 1 387.835 1.349 20 0 GDADMM Cc1cc(N2CCC[C@H](Nc3ccc(Cl)c(-c4nnn[n-]4)n3)C2=O)n(C)n1 ZINC000822207283 599107604 /nfs/dbraw/zinc/10/76/04/599107604.db2.gz QKOIVWWBXNCMNV-NSHDSACASA-N -1 1 387.835 1.565 20 0 GDADMM Cc1cc(N2CCC[C@H](Nc3ccc(Cl)c(-c4nn[n-]n4)n3)C2=O)n(C)n1 ZINC000822207283 599107608 /nfs/dbraw/zinc/10/76/08/599107608.db2.gz QKOIVWWBXNCMNV-NSHDSACASA-N -1 1 387.835 1.565 20 0 GDADMM O=C(NC[C@@H](O)c1ccc(OC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738036331 599109889 /nfs/dbraw/zinc/10/98/89/599109889.db2.gz ALJDBVVAGFXBEA-CYBMUJFWSA-N -1 1 394.313 1.624 20 0 GDADMM O=C(NC[C@@H](O)c1ccc(OC(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738036331 599109892 /nfs/dbraw/zinc/10/98/92/599109892.db2.gz ALJDBVVAGFXBEA-CYBMUJFWSA-N -1 1 394.313 1.624 20 0 GDADMM CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735495413 599131156 /nfs/dbraw/zinc/13/11/56/599131156.db2.gz IWFFQQFGZDFCFZ-NSHDSACASA-N -1 1 380.364 1.648 20 0 GDADMM CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735495413 599131158 /nfs/dbraw/zinc/13/11/58/599131158.db2.gz IWFFQQFGZDFCFZ-NSHDSACASA-N -1 1 380.364 1.648 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)NCc1ccc(Cl)cc1 ZINC000736158047 599131685 /nfs/dbraw/zinc/13/16/85/599131685.db2.gz OMIPTDYFBXBEOM-SNVBAGLBSA-N -1 1 386.799 1.777 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)NCc1ccc(Cl)cc1 ZINC000736158047 599131687 /nfs/dbraw/zinc/13/16/87/599131687.db2.gz OMIPTDYFBXBEOM-SNVBAGLBSA-N -1 1 386.799 1.777 20 0 GDADMM CCOCc1ccc(CNC(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736625708 599135015 /nfs/dbraw/zinc/13/50/15/599135015.db2.gz KZJOEHQQIUAVOQ-UHFFFAOYSA-N -1 1 396.407 1.271 20 0 GDADMM CCOCc1ccc(CNC(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736625708 599135016 /nfs/dbraw/zinc/13/50/16/599135016.db2.gz KZJOEHQQIUAVOQ-UHFFFAOYSA-N -1 1 396.407 1.271 20 0 GDADMM COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737098889 599138456 /nfs/dbraw/zinc/13/84/56/599138456.db2.gz HOPPQEIMJSPXOE-UHFFFAOYSA-N -1 1 388.771 1.719 20 0 GDADMM COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737098889 599138457 /nfs/dbraw/zinc/13/84/57/599138457.db2.gz HOPPQEIMJSPXOE-UHFFFAOYSA-N -1 1 388.771 1.719 20 0 GDADMM O=C(Oc1ccc(O[C@@H]2CCCCNC2=O)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738247972 599155295 /nfs/dbraw/zinc/15/52/95/599155295.db2.gz UQESPDCDPKMDPO-MRXNPFEDSA-N -1 1 394.391 1.528 20 0 GDADMM O=C(Oc1ccc(O[C@@H]2CCCCNC2=O)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738247972 599155297 /nfs/dbraw/zinc/15/52/97/599155297.db2.gz UQESPDCDPKMDPO-MRXNPFEDSA-N -1 1 394.391 1.528 20 0 GDADMM Cc1nc(C)c(-c2nn[n-]n2)c(S[C@H]2CCCN(c3ccn(C)n3)C2=O)n1 ZINC000737470312 599161799 /nfs/dbraw/zinc/16/17/99/599161799.db2.gz HIOKEXZSTPJAKW-NSHDSACASA-N -1 1 385.457 1.295 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000738260099 599164201 /nfs/dbraw/zinc/16/42/01/599164201.db2.gz ZJNONVYZVATRBX-UHFFFAOYSA-N -1 1 384.831 1.268 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000738260099 599164202 /nfs/dbraw/zinc/16/42/02/599164202.db2.gz ZJNONVYZVATRBX-UHFFFAOYSA-N -1 1 384.831 1.268 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCCc3nc(C)ncc32)cc1-c1nn[n-]n1 ZINC000737186960 599183864 /nfs/dbraw/zinc/18/38/64/599183864.db2.gz MLHSMJQMUFGBSR-CYBMUJFWSA-N -1 1 398.452 1.595 20 0 GDADMM Cc1ccc([C@H]2COCCN2S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)o1 ZINC000737329850 599210956 /nfs/dbraw/zinc/21/09/56/599210956.db2.gz HRUPRJIHMWYKFH-CQSZACIVSA-N -1 1 393.400 1.669 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCOC[C@@H]1c1ccco1 ZINC000738355904 599211205 /nfs/dbraw/zinc/21/12/05/599211205.db2.gz UVZURNRSQBEFEC-LLVKDONJSA-N -1 1 395.828 1.875 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCOC[C@@H]1c1ccco1 ZINC000738355904 599211206 /nfs/dbraw/zinc/21/12/06/599211206.db2.gz UVZURNRSQBEFEC-LLVKDONJSA-N -1 1 395.828 1.875 20 0 GDADMM CC(C)(C)OC(=O)N1CCN2C(=O)N(CN3CCC(C(=O)[O-])CC3)C[C@@H]2C1 ZINC000817807828 596925501 /nfs/dbraw/zinc/92/55/01/596925501.db2.gz KPYDSERTORFBGK-AWEZNQCLSA-N -1 1 382.461 1.097 20 0 GDADMM COC(=O)NCc1ccc([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000736938116 599229870 /nfs/dbraw/zinc/22/98/70/599229870.db2.gz ACTMHOJRXUWLOK-UHFFFAOYSA-N -1 1 388.409 1.524 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCOC[C@H]1c1ccccc1 ZINC000823600195 599235209 /nfs/dbraw/zinc/23/52/09/599235209.db2.gz DDERSUHUMJBPLL-INIZCTEOSA-N -1 1 389.412 1.768 20 0 GDADMM C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c2ccc(F)cc2O1 ZINC000736290559 599235495 /nfs/dbraw/zinc/23/54/95/599235495.db2.gz QWKXXFGUQZYUBX-SECBINFHSA-N -1 1 376.373 1.377 20 0 GDADMM C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c2ccc(F)cc2O1 ZINC000736290559 599235496 /nfs/dbraw/zinc/23/54/96/599235496.db2.gz QWKXXFGUQZYUBX-SECBINFHSA-N -1 1 376.373 1.377 20 0 GDADMM Cc1cccc2oc(CCNS(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)nc21 ZINC000822341097 599236532 /nfs/dbraw/zinc/23/65/32/599236532.db2.gz UPSWAHXOMFJXDF-UHFFFAOYSA-N -1 1 385.409 1.232 20 0 GDADMM Cc1cccc2oc(CCNS(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)nc21 ZINC000822341097 599236534 /nfs/dbraw/zinc/23/65/34/599236534.db2.gz UPSWAHXOMFJXDF-UHFFFAOYSA-N -1 1 385.409 1.232 20 0 GDADMM COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NCC(=O)[O-])c1 ZINC000427319023 597020583 /nfs/dbraw/zinc/02/05/83/597020583.db2.gz GHRWLPSOXKCQEA-UHFFFAOYSA-N -1 1 378.406 1.619 20 0 GDADMM CN1CCN(c2ncccc2CNC(=O)N2CCC[C@@H](CC(=O)[O-])C2)CC1 ZINC000818482261 597059145 /nfs/dbraw/zinc/05/91/45/597059145.db2.gz NFBBRMRQKUIUBA-HNNXBMFYSA-N -1 1 375.473 1.230 20 0 GDADMM O=C([O-])CSCC(=O)Nc1ccc2nc(CCN3CCOCC3)[nH]c2c1 ZINC000740486875 597100134 /nfs/dbraw/zinc/10/01/34/597100134.db2.gz NTVPIHPGFUCIAK-UHFFFAOYSA-N -1 1 378.454 1.194 20 0 GDADMM COc1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)NCC(=O)[O-])c2)cc1 ZINC000739925330 597121342 /nfs/dbraw/zinc/12/13/42/597121342.db2.gz LRSSWUZHDLNMJK-UHFFFAOYSA-N -1 1 380.378 1.016 20 0 GDADMM CC(C)C(NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)C(C)C ZINC000820026389 607299722 /nfs/dbraw/zinc/29/97/22/607299722.db2.gz JKLKYXUZJCGTFU-CYBMUJFWSA-N -1 1 387.492 1.557 20 0 GDADMM CC(C)C(NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)C(C)C ZINC000820026389 607299723 /nfs/dbraw/zinc/29/97/23/607299723.db2.gz JKLKYXUZJCGTFU-CYBMUJFWSA-N -1 1 387.492 1.557 20 0 GDADMM CCOC(=O)c1sc(NC(=O)CN2CCN(C)[C@@H](C)C2)c(C(=O)[O-])c1C ZINC000820373789 597461151 /nfs/dbraw/zinc/46/11/51/597461151.db2.gz HNEKWLVYULIKSA-JTQLQIEISA-N -1 1 383.470 1.506 20 0 GDADMM COc1cc(C)nc(N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)n1 ZINC000737041632 599265097 /nfs/dbraw/zinc/26/50/97/599265097.db2.gz LIBRNQRCOVAPKJ-UHFFFAOYSA-N -1 1 383.416 1.166 20 0 GDADMM CCc1ccccc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821492867 607318503 /nfs/dbraw/zinc/31/85/03/607318503.db2.gz XVXWRBFSPQNQIG-CYBMUJFWSA-N -1 1 378.440 1.570 20 0 GDADMM CCc1ccccc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821492867 607318504 /nfs/dbraw/zinc/31/85/04/607318504.db2.gz XVXWRBFSPQNQIG-CYBMUJFWSA-N -1 1 378.440 1.570 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCc2ncccc21 ZINC000822458042 607320595 /nfs/dbraw/zinc/32/05/95/607320595.db2.gz CBUXRGQGINKTOL-UHFFFAOYSA-N -1 1 389.423 1.443 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCc2ncccc21 ZINC000822458042 607320596 /nfs/dbraw/zinc/32/05/96/607320596.db2.gz CBUXRGQGINKTOL-UHFFFAOYSA-N -1 1 389.423 1.443 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCCC[C@H]2CCCC[C@@H]2O)cc1-c1nn[n-]n1 ZINC000821978348 607324780 /nfs/dbraw/zinc/32/47/80/607324780.db2.gz LUESGEKVMBUITA-MFKMUULPSA-N -1 1 392.485 1.750 20 0 GDADMM CCCn1cnnc1COC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821148175 607321843 /nfs/dbraw/zinc/32/18/43/607321843.db2.gz MAURBNVJNCAOEC-UHFFFAOYSA-N -1 1 386.416 1.262 20 0 GDADMM Cn1c(Sc2cccc(F)c2-c2nnn[n-]2)nnc1[C@H]1CCS(=O)(=O)C1 ZINC000737591641 598236157 /nfs/dbraw/zinc/23/61/57/598236157.db2.gz IKXSSCRKHYKPHR-QMMMGPOBSA-N -1 1 395.445 1.188 20 0 GDADMM Cn1c(Sc2cccc(F)c2-c2nn[n-]n2)nnc1[C@H]1CCS(=O)(=O)C1 ZINC000737591641 598236159 /nfs/dbraw/zinc/23/61/59/598236159.db2.gz IKXSSCRKHYKPHR-QMMMGPOBSA-N -1 1 395.445 1.188 20 0 GDADMM Cc1cccnc1CNC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000737437100 598241995 /nfs/dbraw/zinc/24/19/95/598241995.db2.gz WPRRUKQPXPFWOE-UHFFFAOYSA-N -1 1 391.439 1.479 20 0 GDADMM Cc1cccnc1CNC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000737437100 598241997 /nfs/dbraw/zinc/24/19/97/598241997.db2.gz WPRRUKQPXPFWOE-UHFFFAOYSA-N -1 1 391.439 1.479 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC[C@@H](O)Cc2ccccc2)cc1-c1nn[n-]n1 ZINC000737187024 598260417 /nfs/dbraw/zinc/26/04/17/598260417.db2.gz NRXZYFADBBLYBM-NSHDSACASA-N -1 1 386.437 1.023 20 0 GDADMM Cc1ccc2[nH]c3c(c2c1)CN(S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)CC3 ZINC000737372925 598264373 /nfs/dbraw/zinc/26/43/73/598264373.db2.gz MPHPOCPQFYFLPO-UHFFFAOYSA-N -1 1 395.448 1.798 20 0 GDADMM Cc1ccc2[nH]c3c(c2c1)CN(S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)CC3 ZINC000737372925 598264375 /nfs/dbraw/zinc/26/43/75/598264375.db2.gz MPHPOCPQFYFLPO-UHFFFAOYSA-N -1 1 395.448 1.798 20 0 GDADMM COc1c(C)cnc(CN(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1C ZINC000737022732 598270859 /nfs/dbraw/zinc/27/08/59/598270859.db2.gz AWMZHXSJXVUGNB-UHFFFAOYSA-N -1 1 389.441 1.103 20 0 GDADMM COc1c(C)cnc(CN(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1C ZINC000737022732 598270860 /nfs/dbraw/zinc/27/08/60/598270860.db2.gz AWMZHXSJXVUGNB-UHFFFAOYSA-N -1 1 389.441 1.103 20 0 GDADMM COc1ccc2c(c1)CCC[C@@H]2NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737114205 598270972 /nfs/dbraw/zinc/27/09/72/598270972.db2.gz HSPUALITPQIEJO-HNNXBMFYSA-N -1 1 386.437 1.626 20 0 GDADMM COc1ccc2c(c1)CCC[C@@H]2NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737114205 598270973 /nfs/dbraw/zinc/27/09/73/598270973.db2.gz HSPUALITPQIEJO-HNNXBMFYSA-N -1 1 386.437 1.626 20 0 GDADMM COc1ccc([C@@H]2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)C2)cc1 ZINC000737077492 598271728 /nfs/dbraw/zinc/27/17/28/598271728.db2.gz UZLXMFMKECFKLX-CYBMUJFWSA-N -1 1 386.437 1.449 20 0 GDADMM COc1ccc([C@@H]2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)C2)cc1 ZINC000737077492 598271730 /nfs/dbraw/zinc/27/17/30/598271730.db2.gz UZLXMFMKECFKLX-CYBMUJFWSA-N -1 1 386.437 1.449 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H]1CC(=O)N(C(C)C)C1 ZINC000737547217 598311879 /nfs/dbraw/zinc/31/18/79/598311879.db2.gz INEOZINRMWMOEZ-GFCCVEGCSA-N -1 1 383.412 1.298 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1CC(=O)N(C(C)C)C1 ZINC000737547217 598311880 /nfs/dbraw/zinc/31/18/80/598311880.db2.gz INEOZINRMWMOEZ-GFCCVEGCSA-N -1 1 383.412 1.298 20 0 GDADMM Cc1oc(NC(=O)CN2CCc3cnc(C(C)C)nc3C2)c(-c2nn[n-]n2)c1C ZINC000737551518 598376313 /nfs/dbraw/zinc/37/63/13/598376313.db2.gz IKRCNOGYOJKHQU-UHFFFAOYSA-N -1 1 396.455 1.987 20 0 GDADMM CCc1nn(CC(=O)N(CC)Cc2ccccc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705594 598377670 /nfs/dbraw/zinc/37/76/70/598377670.db2.gz LDDDQVUAESYSGG-UHFFFAOYSA-N -1 1 395.467 1.597 20 0 GDADMM CCc1nn(CC(=O)Nc2cccc(OC)c2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705174 598377758 /nfs/dbraw/zinc/37/77/58/598377758.db2.gz CXQAZRMLKAXTBZ-UHFFFAOYSA-N -1 1 383.412 1.196 20 0 GDADMM CCC[C@@H](C)C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000736421984 598407770 /nfs/dbraw/zinc/40/77/70/598407770.db2.gz DPEHPDNWCCKJNI-GFCCVEGCSA-N -1 1 383.412 1.970 20 0 GDADMM CCC[C@@H](C)C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736421984 598407771 /nfs/dbraw/zinc/40/77/71/598407771.db2.gz DPEHPDNWCCKJNI-GFCCVEGCSA-N -1 1 383.412 1.970 20 0 GDADMM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN(C)c3cccc(C)c3)CC2)o1 ZINC000737397017 598421852 /nfs/dbraw/zinc/42/18/52/598421852.db2.gz QYFIHXOLCPYWCS-UHFFFAOYSA-N -1 1 396.455 1.257 20 0 GDADMM CC(C)(C)OC(=O)Nc1cc(C(=O)n2ncc(-c3nn[n-]n3)c2N)ccc1F ZINC000735639821 598429008 /nfs/dbraw/zinc/42/90/08/598429008.db2.gz PIZGSIHVUZUTKK-UHFFFAOYSA-N -1 1 388.363 1.820 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCCO[C@@H](C)C1 ZINC000737488386 598446455 /nfs/dbraw/zinc/44/64/55/598446455.db2.gz UEODXYDQWVRDGP-NSHDSACASA-N -1 1 384.444 1.096 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCCO[C@@H](C)C1 ZINC000737488386 598446457 /nfs/dbraw/zinc/44/64/57/598446457.db2.gz UEODXYDQWVRDGP-NSHDSACASA-N -1 1 384.444 1.096 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)N2CCC3(C2)OCCO3)c1-c1nn[n-]n1 ZINC000737190038 598536326 /nfs/dbraw/zinc/53/63/26/598536326.db2.gz TYFJTKIQBPRUDA-UHFFFAOYSA-N -1 1 388.453 1.450 20 0 GDADMM CCS(=O)(=O)NCCSc1nc(C)cc(C(F)(F)F)c1-c1nn[n-]n1 ZINC000736665186 598585253 /nfs/dbraw/zinc/58/52/53/598585253.db2.gz QHPKSDGFFKULRE-UHFFFAOYSA-N -1 1 396.420 1.620 20 0 GDADMM CC(C)(C)c1nnc(CN2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)o1 ZINC000735656167 598593116 /nfs/dbraw/zinc/59/31/16/598593116.db2.gz VXVGGQGQHOTJIE-UHFFFAOYSA-N -1 1 399.459 1.735 20 0 GDADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[nH]n3)c2)c1 ZINC000736958032 598593490 /nfs/dbraw/zinc/59/34/90/598593490.db2.gz XLWQRPZVYZNATM-UHFFFAOYSA-N -1 1 377.357 1.593 20 0 GDADMM Cc1cc(C)c(CNC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)c(=O)[nH]1 ZINC000737245492 598604648 /nfs/dbraw/zinc/60/46/48/598604648.db2.gz DESDJSVWBDSQOS-UHFFFAOYSA-N -1 1 397.439 1.551 20 0 GDADMM CCc1nn(Cc2nc3c(C)cccc3c(=O)[nH]2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706970 598640011 /nfs/dbraw/zinc/64/00/11/598640011.db2.gz NKJNHXQHXWEFAZ-UHFFFAOYSA-N -1 1 392.423 1.554 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000737201038 598671570 /nfs/dbraw/zinc/67/15/70/598671570.db2.gz PPXRWFLGIJWNBG-HNNXBMFYSA-N -1 1 396.455 1.614 20 0 GDADMM Cc1nc(CN2CCN(c3snc(Cl)c3-c3nnn[n-]3)CC2)oc1C ZINC000737476095 598672573 /nfs/dbraw/zinc/67/25/73/598672573.db2.gz BRPAIWXYTOVVSJ-UHFFFAOYSA-N -1 1 380.865 1.904 20 0 GDADMM Cc1nc(CN2CCN(c3snc(Cl)c3-c3nn[n-]n3)CC2)oc1C ZINC000737476095 598672574 /nfs/dbraw/zinc/67/25/74/598672574.db2.gz BRPAIWXYTOVVSJ-UHFFFAOYSA-N -1 1 380.865 1.904 20 0 GDADMM COCc1ccccc1CNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737022572 598688376 /nfs/dbraw/zinc/68/83/76/598688376.db2.gz XDVKYURJTPJNAG-UHFFFAOYSA-N -1 1 377.401 1.631 20 0 GDADMM CN(CCOc1ccccc1F)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736804638 598688388 /nfs/dbraw/zinc/68/83/88/598688388.db2.gz SSLVASRIMLYOFU-UHFFFAOYSA-N -1 1 395.391 1.844 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)NCCC[S@](C)=O)c1-c1nn[n-]n1 ZINC000737188716 598692854 /nfs/dbraw/zinc/69/28/54/598692854.db2.gz DQQFCQQYUXAYHQ-VWLOTQADSA-N -1 1 380.499 1.359 20 0 GDADMM O=C1c2ccccc2C(=O)N1CCn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000738312828 598720194 /nfs/dbraw/zinc/72/01/94/598720194.db2.gz FCCZREYZLZRAFB-UHFFFAOYSA-N -1 1 386.371 1.478 20 0 GDADMM Cc1ccn2c(=O)cc(Cn3cc(-c4nn[n-]n4)c(=O)c4ccccc43)nc2c1 ZINC000737436070 598721450 /nfs/dbraw/zinc/72/14/50/598721450.db2.gz KMTHRBSAIVUAAJ-UHFFFAOYSA-N -1 1 385.387 1.546 20 0 GDADMM Cc1ccc(C(N)=O)cc1OC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000737320418 598748935 /nfs/dbraw/zinc/74/89/35/598748935.db2.gz QTSUFGDBLLVLFD-UHFFFAOYSA-N -1 1 396.407 1.530 20 0 GDADMM O=C([O-])c1cc(F)c(F)cc1NS(=O)(=O)c1ccccc1-c1nn[nH]n1 ZINC000738215965 598750825 /nfs/dbraw/zinc/75/08/25/598750825.db2.gz UEGDREINSUBIGT-UHFFFAOYSA-N -1 1 381.320 1.644 20 0 GDADMM COc1ccc(-c2noc(Cn3cccc(-c4nn[n-]n4)c3=O)n2)c(OC)c1 ZINC000737063378 598818787 /nfs/dbraw/zinc/81/87/87/598818787.db2.gz XSYCZGUQCDUXTL-UHFFFAOYSA-N -1 1 381.352 1.144 20 0 GDADMM CC(C)(C)[C@H]1OCCC[C@H]1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735598056 599323486 /nfs/dbraw/zinc/32/34/86/599323486.db2.gz WUWZPSVQTPPOFF-FZMZJTMJSA-N -1 1 380.474 1.381 20 0 GDADMM CC(C)(C)[C@H]1OCCC[C@H]1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735598056 599323489 /nfs/dbraw/zinc/32/34/89/599323489.db2.gz WUWZPSVQTPPOFF-FZMZJTMJSA-N -1 1 380.474 1.381 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCOC[C@H]1c1ccco1 ZINC000823600310 599345897 /nfs/dbraw/zinc/34/58/97/599345897.db2.gz FTVNFKVCMKYOFN-LBPRGKRZSA-N -1 1 395.828 1.875 20 0 GDADMM C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC000736298464 599350068 /nfs/dbraw/zinc/35/00/68/599350068.db2.gz QASCJUCPKPLKHD-GHMZBOCLSA-N -1 1 390.448 1.829 20 0 GDADMM C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC000736298464 599350070 /nfs/dbraw/zinc/35/00/70/599350070.db2.gz QASCJUCPKPLKHD-GHMZBOCLSA-N -1 1 390.448 1.829 20 0 GDADMM C[C@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)Oc1ccc(Cl)cc1 ZINC000820274085 599374353 /nfs/dbraw/zinc/37/43/53/599374353.db2.gz DBPAFNGGVLFXNB-SNVBAGLBSA-N -1 1 394.844 1.661 20 0 GDADMM C[C@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)Oc1ccc(Cl)cc1 ZINC000820274085 599374354 /nfs/dbraw/zinc/37/43/54/599374354.db2.gz DBPAFNGGVLFXNB-SNVBAGLBSA-N -1 1 394.844 1.661 20 0 GDADMM CN(C)c1ccccc1N(C)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821590685 607375676 /nfs/dbraw/zinc/37/56/76/607375676.db2.gz ARFLOSFZBJCXCN-UHFFFAOYSA-N -1 1 376.417 1.897 20 0 GDADMM CN(C(=O)c1ccncc1)c1ccc(CNc2nccnc2-c2nnn[n-]2)cc1 ZINC000736741411 599440778 /nfs/dbraw/zinc/44/07/78/599440778.db2.gz OCJNCNLLSFRSMH-UHFFFAOYSA-N -1 1 387.407 1.940 20 0 GDADMM CN(C(=O)c1ccncc1)c1ccc(CNc2nccnc2-c2nn[n-]n2)cc1 ZINC000736741411 599440779 /nfs/dbraw/zinc/44/07/79/599440779.db2.gz OCJNCNLLSFRSMH-UHFFFAOYSA-N -1 1 387.407 1.940 20 0 GDADMM Cc1oc(NC(=O)COC(=O)c2ccc(Cl)cn2)c(-c2nn[n-]n2)c1C ZINC000737552324 599500159 /nfs/dbraw/zinc/50/01/59/599500159.db2.gz NIDGCOYNAWLAQM-UHFFFAOYSA-N -1 1 376.760 1.920 20 0 GDADMM Cc1cnn(C[C@H]2CN(c3cc(-c4nnn[n-]4)nc4ccccc43)CCO2)c1 ZINC000822403446 599540393 /nfs/dbraw/zinc/54/03/93/599540393.db2.gz OGQVPXUWWVCVHR-CQSZACIVSA-N -1 1 376.424 1.825 20 0 GDADMM Cc1cnn(C[C@H]2CN(c3cc(-c4nn[n-]n4)nc4ccccc43)CCO2)c1 ZINC000822403446 599540394 /nfs/dbraw/zinc/54/03/94/599540394.db2.gz OGQVPXUWWVCVHR-CQSZACIVSA-N -1 1 376.424 1.825 20 0 GDADMM CO[C@@H](CNC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C)C(C)C ZINC000821675389 599653740 /nfs/dbraw/zinc/65/37/40/599653740.db2.gz KNLVZZJNNYLSAV-HNNXBMFYSA-N -1 1 386.460 1.246 20 0 GDADMM CO[C@@H](CNC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C)C(C)C ZINC000821675389 599653741 /nfs/dbraw/zinc/65/37/41/599653741.db2.gz KNLVZZJNNYLSAV-HNNXBMFYSA-N -1 1 386.460 1.246 20 0 GDADMM O=C([O-])NCCCC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000739960840 599706120 /nfs/dbraw/zinc/70/61/20/599706120.db2.gz LOGCXPJNMGUXMN-UHFFFAOYSA-N -1 1 379.398 1.264 20 0 GDADMM CC(C)[N@@H+]1CCCN(C(=O)c2ccc(-n3[n-]c(CC(=O)[O-])cc3=O)cc2)CC1 ZINC000736473766 599766969 /nfs/dbraw/zinc/76/69/69/599766969.db2.gz HHAQALUQDUZAGR-UHFFFAOYSA-N -1 1 386.452 1.349 20 0 GDADMM CC(C)[N@H+]1CCCN(C(=O)c2ccc(-n3[n-]c(CC(=O)[O-])cc3=O)cc2)CC1 ZINC000736473766 599766972 /nfs/dbraw/zinc/76/69/72/599766972.db2.gz HHAQALUQDUZAGR-UHFFFAOYSA-N -1 1 386.452 1.349 20 0 GDADMM COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)NCCN2[C@H](C)CCC[C@H]2C)c1 ZINC000737654773 599780150 /nfs/dbraw/zinc/78/01/50/599780150.db2.gz VEPMGKQGVOEJDS-CHWSQXEVSA-N -1 1 398.481 1.713 20 0 GDADMM CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)OCc2ccoc2C(=O)[O-])c1 ZINC000736165730 599817266 /nfs/dbraw/zinc/81/72/66/599817266.db2.gz PUBMEGIZACSOLG-UHFFFAOYSA-N -1 1 396.377 1.665 20 0 GDADMM CN(C)[C@@H]1CCN(S(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)C1 ZINC000062966754 599877107 /nfs/dbraw/zinc/87/71/07/599877107.db2.gz AGISFCHVBPVFGK-SECBINFHSA-N -1 1 377.260 1.472 20 0 GDADMM COc1ccc([C@@H](CNC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)N(C)C)cc1OC ZINC000737956976 599894710 /nfs/dbraw/zinc/89/47/10/599894710.db2.gz GWPGKRXMYDHWDR-HUUCEWRRSA-N -1 1 394.472 1.748 20 0 GDADMM C[C@]1(c2ccc(Br)cc2)CC(=O)N(CN2CC[C@@H](C(=O)[O-])C2)C1=O ZINC000736739117 599932369 /nfs/dbraw/zinc/93/23/69/599932369.db2.gz VQFDOYXTUDJFMW-PIGZYNQJSA-N -1 1 395.253 1.830 20 0 GDADMM CC[C@H]1CN(Cc2nc(=O)c3c(C)c(C(=O)[O-])sc3[nH]2)CCN1C[C@@H](C)O ZINC000736942411 599960570 /nfs/dbraw/zinc/96/05/70/599960570.db2.gz BIIOFNMHIKMLME-PWSUYJOCSA-N -1 1 394.497 1.268 20 0 GDADMM Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC000738872164 599982875 /nfs/dbraw/zinc/98/28/75/599982875.db2.gz CIBKVSZQRXIMLI-QGZVFWFLSA-N -1 1 390.346 1.815 20 0 GDADMM Cc1oc(CN(C)C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)cc1C(=O)[O-] ZINC000738966495 600016363 /nfs/dbraw/zinc/01/63/63/600016363.db2.gz FUVOAIFDUUMBBH-CQSZACIVSA-N -1 1 387.392 1.596 20 0 GDADMM COc1ccc(-c2n[nH]c(CNC(=O)c3ccc(OCC(=O)[O-])cc3)n2)cc1 ZINC000737910834 600077528 /nfs/dbraw/zinc/07/75/28/600077528.db2.gz DAAWSSGNPLHZJK-UHFFFAOYSA-N -1 1 382.376 1.874 20 0 GDADMM COc1ccc(-c2nc(CNC(=O)c3ccc(OCC(=O)[O-])cc3)n[nH]2)cc1 ZINC000737910834 600077532 /nfs/dbraw/zinc/07/75/32/600077532.db2.gz DAAWSSGNPLHZJK-UHFFFAOYSA-N -1 1 382.376 1.874 20 0 GDADMM Cc1cccc(NC[C@H]2CCN(CC(=O)Nc3nc(CC(=O)[O-])cs3)C2)n1 ZINC000738312632 600094671 /nfs/dbraw/zinc/09/46/71/600094671.db2.gz VURYFLFUMDKPAS-CYBMUJFWSA-N -1 1 389.481 1.846 20 0 GDADMM CC(C)N1CCO[C@@H](CN2CCN(C(=O)c3ccc(C(=O)[O-])s3)CC2)C1 ZINC000736475370 600117584 /nfs/dbraw/zinc/11/75/84/600117584.db2.gz UCJOMYUMKMUILF-AWEZNQCLSA-N -1 1 381.498 1.313 20 0 GDADMM CN(C(=O)CN1CCC[C@@H](C(=O)[O-])C1)c1ccccc1C(=O)NCc1ccco1 ZINC000737323633 600138055 /nfs/dbraw/zinc/13/80/55/600138055.db2.gz GMKJIBLMOIVDEE-OAHLLOKOSA-N -1 1 399.447 1.969 20 0 GDADMM O=C([O-])Cc1nc(NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)n[nH]1 ZINC000739911201 600180518 /nfs/dbraw/zinc/18/05/18/600180518.db2.gz YDTJWAXNONJCMO-UHFFFAOYSA-N -1 1 392.169 1.288 20 0 GDADMM O=C([O-])CNC(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc32)cc1 ZINC000039982961 600203461 /nfs/dbraw/zinc/20/34/61/600203461.db2.gz GSGZVRQVFYSTPX-UHFFFAOYSA-N -1 1 385.401 1.850 20 0 GDADMM C[C@@H](C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-])N1CCC(Cc2ccccc2)CC1 ZINC000736203697 600247541 /nfs/dbraw/zinc/24/75/41/600247541.db2.gz GDTBYXQMUZMAQR-YJBOKZPZSA-N -1 1 387.480 1.131 20 0 GDADMM O=C([O-])CCSCCNC(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000739743473 600262307 /nfs/dbraw/zinc/26/23/07/600262307.db2.gz IESBPVTWFJXSED-UHFFFAOYSA-N -1 1 381.479 1.399 20 0 GDADMM O=C([O-])[C@H]1CC12CCN(CC(=O)NCc1ccc(C(=O)N3CCCC3)cc1)CC2 ZINC000739279119 600291713 /nfs/dbraw/zinc/29/17/13/600291713.db2.gz UANHXRJSYUUOJI-GOSISDBHSA-N -1 1 399.491 1.726 20 0 GDADMM COc1cc(OC)c(OC)cc1CNC(=O)CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000737898417 600304143 /nfs/dbraw/zinc/30/41/43/600304143.db2.gz AFCNODICHSSLLD-CQSZACIVSA-N -1 1 392.452 1.515 20 0 GDADMM CCN1CCN(c2ccc(Cl)cc2NC(=O)C(=O)NCCC(=O)[O-])CC1 ZINC000737121501 600334446 /nfs/dbraw/zinc/33/44/46/600334446.db2.gz AWQGDAHQAOURLX-UHFFFAOYSA-N -1 1 382.848 1.011 20 0 GDADMM C[C@@H]1CN(CCCNC(=O)C(=O)Nc2ccc(CNC(=O)[O-])cc2)C[C@@H](C)O1 ZINC000736810495 600361998 /nfs/dbraw/zinc/36/19/98/600361998.db2.gz OPONTZBSMGVUBX-ZIAGYGMSSA-N -1 1 392.456 1.008 20 0 GDADMM O=C([O-])[C@H](c1ccccc1)N1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000738524195 600408972 /nfs/dbraw/zinc/40/89/72/600408972.db2.gz IBNKWDDPABUWEI-IBGZPJMESA-N -1 1 378.436 1.606 20 0 GDADMM O=C([O-])CCN(CC(=O)N1CCN(c2ccccc2F)CC1)C[C@H]1CCCO1 ZINC000739718773 600513626 /nfs/dbraw/zinc/51/36/26/600513626.db2.gz MKHGRGRJRMXGMQ-MRXNPFEDSA-N -1 1 393.459 1.430 20 0 GDADMM Cc1oc(NC(=O)CN2CCCC[C@@H]2C2OCCO2)c(-c2nn[n-]n2)c1C ZINC000822549187 607449878 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GDADMM CN1CCN(Cc2ccc(C(=O)NCc3cccc(OCC(=O)[O-])c3)cc2)CC1 ZINC000737528327 600647890 /nfs/dbraw/zinc/64/78/90/600647890.db2.gz DSRZWPJIVPFCEX-UHFFFAOYSA-N -1 1 397.475 1.827 20 0 GDADMM CN(C)CCN(Cc1ccccn1)S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000578776915 600650538 /nfs/dbraw/zinc/65/05/38/600650538.db2.gz TUPWOJZNIUSQOH-UHFFFAOYSA-N -1 1 377.466 1.461 20 0 GDADMM COC(=O)c1ccc(NC(=O)N2CCN(CC(C)(C)O)CC2)cc1C(=O)[O-] ZINC000831410961 600662848 /nfs/dbraw/zinc/66/28/48/600662848.db2.gz QXPYMAUJFZVZLG-UHFFFAOYSA-N -1 1 379.413 1.092 20 0 GDADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000818236431 600669129 /nfs/dbraw/zinc/66/91/29/600669129.db2.gz BCQIOKVKUPOGAK-CQSZACIVSA-N -1 1 376.457 1.776 20 0 GDADMM COc1cccc([C@@H](CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)N2CCCC2)c1 ZINC000832534440 600693172 /nfs/dbraw/zinc/69/31/72/600693172.db2.gz YAOUNABCNZTHII-QGZVFWFLSA-N -1 1 393.465 1.837 20 0 GDADMM CC[NH+]1CCN(c2ccccc2[N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC000829780801 600699376 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YLUKSQBOWLCGOX-GDBMZVCRSA-N -1 1 391.468 1.957 20 0 GDADMM CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN2CC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000829683869 601948191 /nfs/dbraw/zinc/94/81/91/601948191.db2.gz IMFYQNFANBLQND-GOSISDBHSA-N -1 1 397.497 1.452 20 0 GDADMM Cc1nc(C(=O)Nc2cccc(CC(=O)[O-])c2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000533195189 602076166 /nfs/dbraw/zinc/07/61/66/602076166.db2.gz MZWLBQQPTZOELO-UHFFFAOYSA-N -1 1 395.301 1.592 20 0 GDADMM Cc1cc(NS(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)c(C(=O)[O-])[nH]1 ZINC000832899014 602114530 /nfs/dbraw/zinc/11/45/30/602114530.db2.gz ARPZHSBNLMNFLT-UHFFFAOYSA-N -1 1 376.387 1.365 20 0 GDADMM C[C@H]1C[C@H](N(C)S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CCN1C ZINC000828168782 602158338 /nfs/dbraw/zinc/15/83/38/602158338.db2.gz QSZCOVPNHFOSGB-DTWKUNHWSA-N -1 1 395.275 1.844 20 0 GDADMM O=C([O-])N1CCC[C@H](CNC(=O)NC[C@H](O)CN2CCc3ccccc3C2)C1 ZINC000740406446 602168951 /nfs/dbraw/zinc/16/89/51/602168951.db2.gz XLUOBQZFFAXBDP-QAPCUYQASA-N -1 1 390.484 1.095 20 0 GDADMM Cc1c(NCc2ccnc(-c3nnn[n-]3)c2)cccc1C(=O)N1CCOCC1 ZINC000826242234 607548888 /nfs/dbraw/zinc/54/88/88/607548888.db2.gz GJHBKQRZYILGOX-UHFFFAOYSA-N -1 1 379.424 1.655 20 0 GDADMM Cc1c(NCc2ccnc(-c3nn[n-]n3)c2)cccc1C(=O)N1CCOCC1 ZINC000826242234 607548890 /nfs/dbraw/zinc/54/88/90/607548890.db2.gz GJHBKQRZYILGOX-UHFFFAOYSA-N -1 1 379.424 1.655 20 0 GDADMM CS(=O)(=O)c1cc(NC(=O)c2cc(=O)c3ccccc3[nH]2)cc(C(=O)[O-])c1 ZINC000832713098 602256891 /nfs/dbraw/zinc/25/68/91/602256891.db2.gz BZFPZFJLAIMFHZ-UHFFFAOYSA-N -1 1 386.385 1.882 20 0 GDADMM C[C@H](NC(=O)[O-])[C@H]1CCCCN1CC(=O)N1CCN(Cc2cccs2)CC1 ZINC000738998981 602273719 /nfs/dbraw/zinc/27/37/19/602273719.db2.gz DUMALETVXMTRLH-DOTOQJQBSA-N -1 1 394.541 1.903 20 0 GDADMM CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000825119528 607775077 /nfs/dbraw/zinc/77/50/77/607775077.db2.gz DNJVKZCMPZNDJT-NSHDSACASA-N -1 1 391.478 1.911 20 0 GDADMM CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000825119528 607775078 /nfs/dbraw/zinc/77/50/78/607775078.db2.gz DNJVKZCMPZNDJT-NSHDSACASA-N -1 1 391.478 1.911 20 0 GDADMM CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)NCCCNC(=O)[O-])c2C1 ZINC000738766518 602425773 /nfs/dbraw/zinc/42/57/73/602425773.db2.gz LXQDRRKKUMVLQR-ZDUSSCGKSA-N -1 1 376.457 1.759 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)N1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000739014009 602445117 /nfs/dbraw/zinc/44/51/17/602445117.db2.gz CLTMTMGLXHRNFW-SQWLQELKSA-N -1 1 391.468 1.699 20 0 GDADMM O=S(=O)(NC[C@H]1CCCO1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826490422 607572033 /nfs/dbraw/zinc/57/20/33/607572033.db2.gz VBZKHNSEUYZBIJ-SECBINFHSA-N -1 1 377.348 1.343 20 0 GDADMM COc1ccc(CN2CCCN(C(=O)NCC[C@@H](C)NC(=O)[O-])CC2)cc1 ZINC000739905481 602557717 /nfs/dbraw/zinc/55/77/17/602557717.db2.gz JWDTUEIUMBCBCG-OAHLLOKOSA-N -1 1 378.473 1.959 20 0 GDADMM COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CN1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739765079 602579373 /nfs/dbraw/zinc/57/93/73/602579373.db2.gz VHZKMUSIBRNCPE-RHSMWYFYSA-N -1 1 389.452 1.045 20 0 GDADMM COc1ccc([C@H](CNC(=O)N[C@@H]2CCN(C(=O)[O-])C2)N(C)C)cc1OC ZINC000739895927 602585680 /nfs/dbraw/zinc/58/56/80/602585680.db2.gz XCYIXAWIHYSVDI-KGLIPLIRSA-N -1 1 380.445 1.358 20 0 GDADMM COc1ccccc1[C@H](CNC(=O)N1CCN2CCCC[C@H]2C1)NC(=O)[O-] ZINC000739965400 602620997 /nfs/dbraw/zinc/62/09/97/602620997.db2.gz XRLRMJDOCPQYBN-HOCLYGCPSA-N -1 1 376.457 1.884 20 0 GDADMM C[C@H](NC(=O)N1CCC(CCN2CCOCC2)CC1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738970570 602629230 /nfs/dbraw/zinc/62/92/30/602629230.db2.gz RCKBWFGGLMPSSY-WMZOPIPTSA-N -1 1 396.532 1.909 20 0 GDADMM CCOC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825499686 607576915 /nfs/dbraw/zinc/57/69/15/607576915.db2.gz RHTVEVJPPWNNIT-LLVKDONJSA-N -1 1 399.860 1.626 20 0 GDADMM CCOC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825499686 607576917 /nfs/dbraw/zinc/57/69/17/607576917.db2.gz RHTVEVJPPWNNIT-LLVKDONJSA-N -1 1 399.860 1.626 20 0 GDADMM COc1ccccc1CCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826219433 607578305 /nfs/dbraw/zinc/57/83/05/607578305.db2.gz BSWWAYWUGAMKBM-UHFFFAOYSA-N -1 1 377.401 1.535 20 0 GDADMM CN(CCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000825941429 607580460 /nfs/dbraw/zinc/58/04/60/607580460.db2.gz IHMOQSDEYITUOH-UHFFFAOYSA-N -1 1 376.417 1.421 20 0 GDADMM CC(=O)Nc1ccc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000824000134 607581537 /nfs/dbraw/zinc/58/15/37/607581537.db2.gz WCIYPNCGUPTXFR-UHFFFAOYSA-N -1 1 390.400 1.443 20 0 GDADMM CN1CCN(c2ccc(NC(=O)c3csc(CNC(=O)[O-])n3)cn2)CC1 ZINC000739736370 602706307 /nfs/dbraw/zinc/70/63/07/602706307.db2.gz LGRMDRCGOBQBGX-UHFFFAOYSA-N -1 1 376.442 1.310 20 0 GDADMM CN1CCN(C[C@@H](NC(=O)N2CC[C@@H](NC(=O)[O-])C2)c2ccccc2)CC1 ZINC000739739306 602713713 /nfs/dbraw/zinc/71/37/13/602713713.db2.gz ZTFGBCVTYCGGKW-IAGOWNOFSA-N -1 1 375.473 1.027 20 0 GDADMM O=C([O-])N1CC[C@H](CCNC(=O)NC[C@H](O)CN2CCc3ccccc3C2)C1 ZINC000740428344 602724069 /nfs/dbraw/zinc/72/40/69/602724069.db2.gz QLMJBLBIMGEFNI-YJBOKZPZSA-N -1 1 390.484 1.095 20 0 GDADMM C[C@@H]1CN(CC(=O)N2CCN(c3ccc(F)cc3)CC2)CC[C@H]1NC(=O)[O-] ZINC000739171787 602780986 /nfs/dbraw/zinc/78/09/86/602780986.db2.gz JIGQDXMUQZYBEN-RHSMWYFYSA-N -1 1 378.448 1.452 20 0 GDADMM C[C@H]1CN(CC(=O)NCCc2ccc(OC(F)F)cc2)CC[C@H]1NC(=O)[O-] ZINC000739168976 602786959 /nfs/dbraw/zinc/78/69/59/602786959.db2.gz DRBQCHWHJOELCB-SWLSCSKDSA-N -1 1 385.411 1.925 20 0 GDADMM C[C@H](C(=O)N1CCN(c2ccccn2)CC1)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739175890 602792471 /nfs/dbraw/zinc/79/24/71/602792471.db2.gz LONONZJLYAOPRA-BZUAXINKSA-N -1 1 375.473 1.097 20 0 GDADMM O=C([O-])N1CCc2ccc(NC(=O)N3CCN([C@@H]4CCC[C@H]4O)CC3)cc2C1 ZINC000740529298 602826420 /nfs/dbraw/zinc/82/64/20/602826420.db2.gz FLGRPMQSQIXJNP-QZTJIDSGSA-N -1 1 388.468 1.786 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000826494755 607589376 /nfs/dbraw/zinc/58/93/76/607589376.db2.gz NZIVWIKXBFBZBG-JTQLQIEISA-N -1 1 393.860 1.812 20 0 GDADMM COc1ccnc(N2CCN(C(=O)[C@H](CNC(=O)[O-])c3ccccc3)CC2)c1 ZINC000829651186 602862437 /nfs/dbraw/zinc/86/24/37/602862437.db2.gz YGFIEMQLVPSBGS-QGZVFWFLSA-N -1 1 384.436 1.790 20 0 GDADMM C[C@H]1CN(C(=O)NC2CCN(Cc3ccccn3)CC2)C[C@H](C)N1C(=O)[O-] ZINC000739139476 602889162 /nfs/dbraw/zinc/88/91/62/602889162.db2.gz XJMRSVSGLFISDK-GJZGRUSLSA-N -1 1 375.473 1.828 20 0 GDADMM COc1ccc(-c2n[nH]c(CNC(=O)CN(C[C@H]3CCCO3)C(=O)[O-])n2)cc1 ZINC000739878921 602889263 /nfs/dbraw/zinc/88/92/63/602889263.db2.gz HXUFYNCHHJFQHS-CQSZACIVSA-N -1 1 389.412 1.256 20 0 GDADMM COc1ccc(-c2nc(CNC(=O)CN(C[C@H]3CCCO3)C(=O)[O-])n[nH]2)cc1 ZINC000739878921 602889265 /nfs/dbraw/zinc/88/92/65/602889265.db2.gz HXUFYNCHHJFQHS-CQSZACIVSA-N -1 1 389.412 1.256 20 0 GDADMM CCOCCN1CCN(C(=O)N[C@H](C)[C@@H]2CCCN(C(=O)[O-])C2)C[C@H]1CC ZINC000739489118 602973606 /nfs/dbraw/zinc/97/36/06/602973606.db2.gz PYHAVFYFNOBXAP-BRWVUGGUSA-N -1 1 384.521 1.907 20 0 GDADMM O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000740622961 602974617 /nfs/dbraw/zinc/97/46/17/602974617.db2.gz PYXRJNJOVJTCAT-WCQYABFASA-N -1 1 390.465 1.628 20 0 GDADMM CN1CCN(c2cc(C(=O)NC[C@@H](NC(=O)[O-])c3ccccc3)ccn2)CC1 ZINC000739735938 603022946 /nfs/dbraw/zinc/02/29/46/603022946.db2.gz HCEJUUVRZUCUKD-QGZVFWFLSA-N -1 1 383.452 1.572 20 0 GDADMM CCNC(=O)c1cccc(OS(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c1 ZINC000825476778 607601583 /nfs/dbraw/zinc/60/15/83/607601583.db2.gz VVDWZGARTAFRBH-UHFFFAOYSA-N -1 1 387.421 1.693 20 0 GDADMM CCOc1cc(N)c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1OCC ZINC000825615865 607603266 /nfs/dbraw/zinc/60/32/66/607603266.db2.gz NUZSDXRALKBGDB-UHFFFAOYSA-N -1 1 384.396 1.998 20 0 GDADMM CCOc1cc(N)c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1OCC ZINC000825615865 607603267 /nfs/dbraw/zinc/60/32/67/607603267.db2.gz NUZSDXRALKBGDB-UHFFFAOYSA-N -1 1 384.396 1.998 20 0 GDADMM Cc1nnc([C@@H]2CN(C(=O)[C@@H](NC(=O)[O-])c3cccc(Cl)c3)CCO2)[nH]1 ZINC000830672026 603075471 /nfs/dbraw/zinc/07/54/71/603075471.db2.gz IKBYEBTZAVPGBS-STQMWFEESA-N -1 1 379.804 1.675 20 0 GDADMM CCc1nnc([C@@H]2CN(C(=O)[C@@H](C)[C@H](NC(=O)[O-])c3ccccc3)CCO2)[nH]1 ZINC000827620067 603076052 /nfs/dbraw/zinc/07/60/52/603076052.db2.gz DLMLZJSJAXCDMH-NOLJZWGESA-N -1 1 387.440 1.912 20 0 GDADMM O=C([O-])NC[C@H]1CCCN1C(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000832546508 603122603 /nfs/dbraw/zinc/12/26/03/603122603.db2.gz PLMZFMRATUTBHL-LLVKDONJSA-N -1 1 376.438 1.334 20 0 GDADMM COc1ccc(-c2n[nH]c(CNC(=O)[C@H]3[C@@H](C)OC(C)(C)N3C(=O)[O-])n2)cc1 ZINC000739878955 603128045 /nfs/dbraw/zinc/12/80/45/603128045.db2.gz IPZQABJWHOFZKI-QMTHXVAHSA-N -1 1 389.412 1.600 20 0 GDADMM COc1ccc(-c2nc(CNC(=O)[C@H]3[C@@H](C)OC(C)(C)N3C(=O)[O-])n[nH]2)cc1 ZINC000739878955 603128048 /nfs/dbraw/zinc/12/80/48/603128048.db2.gz IPZQABJWHOFZKI-QMTHXVAHSA-N -1 1 389.412 1.600 20 0 GDADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N1CCC[C@@H]1CN(C)C(=O)[O-] ZINC000829820555 603152733 /nfs/dbraw/zinc/15/27/33/603152733.db2.gz FVRJXCPBBWEBRV-GFCCVEGCSA-N -1 1 386.412 1.091 20 0 GDADMM C[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)c1nnc2n1CCC2 ZINC000824640449 607611205 /nfs/dbraw/zinc/61/12/05/607611205.db2.gz IWWNBHTVRSALBE-QMMMGPOBSA-N -1 1 394.848 1.097 20 0 GDADMM C[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)c1nnc2n1CCC2 ZINC000824640449 607611206 /nfs/dbraw/zinc/61/12/06/607611206.db2.gz IWWNBHTVRSALBE-QMMMGPOBSA-N -1 1 394.848 1.097 20 0 GDADMM C[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)c1nnc2n1CCC2 ZINC000824640448 607611274 /nfs/dbraw/zinc/61/12/74/607611274.db2.gz IWWNBHTVRSALBE-MRVPVSSYSA-N -1 1 394.848 1.097 20 0 GDADMM C[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)c1nnc2n1CCC2 ZINC000824640448 607611275 /nfs/dbraw/zinc/61/12/75/607611275.db2.gz IWWNBHTVRSALBE-MRVPVSSYSA-N -1 1 394.848 1.097 20 0 GDADMM CN(CCCNC(=O)[O-])CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000739676477 603248212 /nfs/dbraw/zinc/24/82/12/603248212.db2.gz KYGVGPZERLEYDS-UHFFFAOYSA-N -1 1 382.892 1.574 20 0 GDADMM CN(CCCNC(=O)[O-])CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000739675477 603254149 /nfs/dbraw/zinc/25/41/49/603254149.db2.gz FIIJUOQQYUACFA-OAHLLOKOSA-N -1 1 377.441 1.711 20 0 GDADMM CN1CCN(C[C@@H](NC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)c2ccccc2)CC1 ZINC000737526511 603265184 /nfs/dbraw/zinc/26/51/84/603265184.db2.gz RBJAHYYYCRBBKG-QZTJIDSGSA-N -1 1 389.500 1.417 20 0 GDADMM Cc1csc(C(C)(C)NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)n1 ZINC000826320251 607619118 /nfs/dbraw/zinc/61/91/18/607619118.db2.gz KSUXDOCIXIBXNC-UHFFFAOYSA-N -1 1 382.446 1.984 20 0 GDADMM O=C([O-])N[C@H](C(=O)N1CCN([C@H]2CCC[C@H]2O)CC1)c1cccc(Cl)c1 ZINC000740529774 603305960 /nfs/dbraw/zinc/30/59/60/603305960.db2.gz IYUUABMNFNWFNV-XHSDSOJGSA-N -1 1 381.860 1.706 20 0 GDADMM Cn1cc(N2CCC[C@H](N3CCC[C@H]([C@H]4CCCN4C(=O)[O-])C3)C2=O)cn1 ZINC000740292122 603333005 /nfs/dbraw/zinc/33/30/05/603333005.db2.gz RIKLXLXPQQLGIW-UAGQMJEPSA-N -1 1 375.473 1.770 20 0 GDADMM O=C([O-])N1CC[C@H](CN2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)C1 ZINC000740499009 603339208 /nfs/dbraw/zinc/33/92/08/603339208.db2.gz JGGAIAABQVWFHO-HIFRSBDPSA-N -1 1 385.461 1.568 20 0 GDADMM COc1cc(CCNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)ccc1O ZINC000826178770 607623850 /nfs/dbraw/zinc/62/38/50/607623850.db2.gz LXFQSGBKXZTCOI-UHFFFAOYSA-N -1 1 393.400 1.241 20 0 GDADMM COc1cc(CCNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)ccc1O ZINC000826178770 607623852 /nfs/dbraw/zinc/62/38/52/607623852.db2.gz LXFQSGBKXZTCOI-UHFFFAOYSA-N -1 1 393.400 1.241 20 0 GDADMM CCN1CCN(c2ccccc2NC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])CC1 ZINC000739457224 603383811 /nfs/dbraw/zinc/38/38/11/603383811.db2.gz PTQJNFCSUCXQPB-MRXNPFEDSA-N -1 1 390.484 1.926 20 0 GDADMM COc1cccc([C@@H](O)CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000826215277 607630936 /nfs/dbraw/zinc/63/09/36/607630936.db2.gz KPVKPQAWNZQSTI-AWEZNQCLSA-N -1 1 393.400 1.026 20 0 GDADMM Cc1nnc([C@H]2CN(C(=O)N[C@@H](CNC(=O)[O-])C3CCCCC3)CCO2)[nH]1 ZINC000830677175 603482049 /nfs/dbraw/zinc/48/20/49/603482049.db2.gz DJQVXNRUJTYSNK-UONOGXRCSA-N -1 1 380.449 1.413 20 0 GDADMM CCOc1ccc(CN2CCC[C@H](C(=O)N3CCN(C(=O)[O-])CC3)C2)nc1 ZINC000827428867 603492536 /nfs/dbraw/zinc/49/25/36/603492536.db2.gz YOKHRWCGKGQXEN-HNNXBMFYSA-N -1 1 376.457 1.515 20 0 GDADMM CCCc1nc([C@@H]2CN(C(=O)N[C@H]3CCC[C@H]3CNC(=O)[O-])CCO2)n[nH]1 ZINC000826953724 603525916 /nfs/dbraw/zinc/52/59/16/603525916.db2.gz KWSVVMUOZHIDQW-AVGNSLFASA-N -1 1 380.449 1.276 20 0 GDADMM CCCc1n[nH]c([C@@H]2CN(C(=O)N[C@H]3CCC[C@H]3CNC(=O)[O-])CCO2)n1 ZINC000826953724 603525919 /nfs/dbraw/zinc/52/59/19/603525919.db2.gz KWSVVMUOZHIDQW-AVGNSLFASA-N -1 1 380.449 1.276 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)Nc2cccc3c2CCN(C(=O)[O-])C3)cn1C ZINC000828761486 603527738 /nfs/dbraw/zinc/52/77/38/603527738.db2.gz WCHSTNPAVFCRQY-UHFFFAOYSA-N -1 1 393.421 1.649 20 0 GDADMM C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)[C@H](O)c1ccc(F)cc1 ZINC000824641612 607636404 /nfs/dbraw/zinc/63/64/04/607636404.db2.gz XKWZATJNHCCMEJ-VFZGTOFNSA-N -1 1 395.391 1.545 20 0 GDADMM C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)[C@H](O)c1ccc(F)cc1 ZINC000824641612 607636405 /nfs/dbraw/zinc/63/64/05/607636405.db2.gz XKWZATJNHCCMEJ-VFZGTOFNSA-N -1 1 395.391 1.545 20 0 GDADMM C[C@H](c1ccccc1)[C@@H](CO)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824769840 607636503 /nfs/dbraw/zinc/63/65/03/607636503.db2.gz CCWDSKOOOPCRCE-IAQYHMDHSA-N -1 1 391.428 1.449 20 0 GDADMM CN(C)Cc1ccc(C(N)=O)cc1NC(=O)NC[C@@H]1CCCCN1C(=O)[O-] ZINC000828042427 603562396 /nfs/dbraw/zinc/56/23/96/603562396.db2.gz DGXJBEKPOSCALF-AWEZNQCLSA-N -1 1 377.445 1.501 20 0 GDADMM O=C([O-])N[C@@H](C(=O)N1CCN(C[C@@H]2CCOC2)CC1)c1cccc(Cl)c1 ZINC000832094654 603585330 /nfs/dbraw/zinc/58/53/30/603585330.db2.gz VFQCNCDNBYLVSQ-XJKSGUPXSA-N -1 1 381.860 1.829 20 0 GDADMM COc1ccccc1[C@H](CNC(=O)COC1CN(C(=O)[O-])C1)N1CCCC1 ZINC000829592420 603741056 /nfs/dbraw/zinc/74/10/56/603741056.db2.gz QRQGXRNCYBYNIS-INIZCTEOSA-N -1 1 377.441 1.327 20 0 GDADMM CSC1(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCOCC1 ZINC000826227907 607649224 /nfs/dbraw/zinc/64/92/24/607649224.db2.gz ZEPNIYPAABQEAJ-UHFFFAOYSA-N -1 1 387.462 1.196 20 0 GDADMM CSC1(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCOCC1 ZINC000826227907 607649225 /nfs/dbraw/zinc/64/92/25/607649225.db2.gz ZEPNIYPAABQEAJ-UHFFFAOYSA-N -1 1 387.462 1.196 20 0 GDADMM C[C@H](CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)Oc1cccc(F)c1 ZINC000824426750 607650052 /nfs/dbraw/zinc/65/00/52/607650052.db2.gz HHUIEGFXPLHSJO-SNVBAGLBSA-N -1 1 395.391 1.891 20 0 GDADMM C[C@H](CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)Oc1cccc(F)c1 ZINC000824426750 607650054 /nfs/dbraw/zinc/65/00/54/607650054.db2.gz HHUIEGFXPLHSJO-SNVBAGLBSA-N -1 1 395.391 1.891 20 0 GDADMM COc1cccc(OC)c1OC[C@@H](O)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000829575793 603977328 /nfs/dbraw/zinc/97/73/28/603977328.db2.gz KZSZPIQTRHWNSY-ILXRZTDVSA-N -1 1 380.441 1.660 20 0 GDADMM O=C([O-])N1CCCC[C@@H]1CNC(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000831567621 604002406 /nfs/dbraw/zinc/00/24/06/604002406.db2.gz TZBRGOUSYGRRCG-LLVKDONJSA-N -1 1 376.438 1.334 20 0 GDADMM CC(C)(C)c1n[nH]c([C@H]2CN(C(=O)N[C@H]3CCCN(C(=O)[O-])C3)CCO2)n1 ZINC000823864952 604002953 /nfs/dbraw/zinc/00/29/53/604002953.db2.gz RTLNUVOKWVEKJS-NWDGAFQWSA-N -1 1 380.449 1.328 20 0 GDADMM CC(C)(C)c1nnc([C@H]2CN(C(=O)N[C@H]3CCCN(C(=O)[O-])C3)CCO2)[nH]1 ZINC000823864952 604002955 /nfs/dbraw/zinc/00/29/55/604002955.db2.gz RTLNUVOKWVEKJS-NWDGAFQWSA-N -1 1 380.449 1.328 20 0 GDADMM C[C@H]1CN(C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)CC[C@@H]1NC(=O)[O-] ZINC000825987793 604004317 /nfs/dbraw/zinc/00/43/17/604004317.db2.gz FZIDDRMMFXPNEX-JQWIXIFHSA-N -1 1 376.438 1.190 20 0 GDADMM O=C([O-])NC[C@@H]1CCCC[C@@H]1NC(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000832500833 604006185 /nfs/dbraw/zinc/00/61/85/604006185.db2.gz YULDUTIPFGIPCU-AAEUAGOBSA-N -1 1 390.465 1.628 20 0 GDADMM C[S@@](=O)c1ccc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826224605 607665730 /nfs/dbraw/zinc/66/57/30/607665730.db2.gz INWVEYYUBFLTQQ-RUZDIDTESA-N -1 1 395.441 1.222 20 0 GDADMM C[S@@](=O)c1ccc(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826224605 607665731 /nfs/dbraw/zinc/66/57/31/607665731.db2.gz INWVEYYUBFLTQQ-RUZDIDTESA-N -1 1 395.441 1.222 20 0 GDADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H]1CCCN1C(=O)[O-] ZINC000827417824 604014790 /nfs/dbraw/zinc/01/47/90/604014790.db2.gz GBVSVWJKCBMLLI-INIZCTEOSA-N -1 1 376.457 1.918 20 0 GDADMM C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])CN1C1CC1 ZINC000825788486 604041671 /nfs/dbraw/zinc/04/16/71/604041671.db2.gz HWYHVJNZVKIJSU-DOMZBBRYSA-N -1 1 386.452 1.797 20 0 GDADMM C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])CN1C1CC1 ZINC000825788487 604041832 /nfs/dbraw/zinc/04/18/32/604041832.db2.gz HWYHVJNZVKIJSU-IUODEOHRSA-N -1 1 386.452 1.797 20 0 GDADMM C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(OCCNC(=O)[O-])c2)CN1C1CC1 ZINC000825789503 604041862 /nfs/dbraw/zinc/04/18/62/604041862.db2.gz OMIMIPBLBPVILR-GXTWGEPZSA-N -1 1 390.440 1.013 20 0 GDADMM C[C@@H](OC(=O)CC1CN(C(=O)[O-])C1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000825580778 604087840 /nfs/dbraw/zinc/08/78/40/604087840.db2.gz XIAZXZHJKFQINM-RHSMWYFYSA-N -1 1 389.452 1.309 20 0 GDADMM CC(C)N(C)C(=O)C1CCN(C(=O)CN2CCC[C@H]2CN(C)C(=O)[O-])CC1 ZINC000824323338 604093720 /nfs/dbraw/zinc/09/37/20/604093720.db2.gz BMTIEDVREFKAPV-INIZCTEOSA-N -1 1 382.505 1.166 20 0 GDADMM CN(Cc1cccc(NC(=O)N2CCN(C[C@@H]3CCOC3)CC2)c1)C(=O)[O-] ZINC000828375858 604146422 /nfs/dbraw/zinc/14/64/22/604146422.db2.gz VSNAUMSJSZSKFX-INIZCTEOSA-N -1 1 376.457 1.982 20 0 GDADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(CC(=O)N2CCN(Cc3ccco3)CC2)C1 ZINC000825254690 604213989 /nfs/dbraw/zinc/21/39/89/604213989.db2.gz OBIHTCNTSDPWHQ-JKSUJKDBSA-N -1 1 378.473 1.292 20 0 GDADMM CCc1nc([C@H]2CN(C(=O)Nc3cc(C(=O)[O-])c(F)cc3F)CCO2)n[nH]1 ZINC000830304735 604320537 /nfs/dbraw/zinc/32/05/37/604320537.db2.gz YONVFYCUYXSINP-GFCCVEGCSA-N -1 1 381.339 1.949 20 0 GDADMM CC(=O)N1CCCN([C@@H]2CN(C(=O)c3ccc(C(=O)[O-])c(F)c3)C[C@H]2C)CC1 ZINC000825833554 604331054 /nfs/dbraw/zinc/33/10/54/604331054.db2.gz DXVAZVQJOBGUIZ-FZKQIMNGSA-N -1 1 391.443 1.539 20 0 GDADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2nnc(CC(F)(F)F)s2)CC1 ZINC000827374704 604406395 /nfs/dbraw/zinc/40/63/95/604406395.db2.gz KVZDBJIRMZZJOF-MRVPVSSYSA-N -1 1 381.380 1.656 20 0 GDADMM O=C([O-])c1ccc(NC(=O)C(=O)N[C@H]2CCCc3cn[nH]c32)c(OC(F)F)c1 ZINC000833156673 604423820 /nfs/dbraw/zinc/42/38/20/604423820.db2.gz CJXMSVGPPKKXGT-NSHDSACASA-N -1 1 394.334 1.842 20 0 GDADMM COc1ccc([C@H](CNC(=O)NC2CN(C(=O)[O-])C2)N2CCCCC2)cc1 ZINC000832241752 604566295 /nfs/dbraw/zinc/56/62/95/604566295.db2.gz YKKKKTIRXFNHOW-KRWDZBQOSA-N -1 1 376.457 1.884 20 0 GDADMM Cc1cccc(N2CCN(CCCNC(=O)NC3CN(C(=O)[O-])C3)CC2)c1 ZINC000832971623 604571857 /nfs/dbraw/zinc/57/18/57/604571857.db2.gz QVKHARWADBSSPF-UHFFFAOYSA-N -1 1 375.473 1.169 20 0 GDADMM Cc1ccc(-c2n[nH]c(NC(=O)c3cn(C4CCN(C(=O)[O-])CC4)nn3)n2)o1 ZINC000830158848 604585243 /nfs/dbraw/zinc/58/52/43/604585243.db2.gz BTKVCBUQHOAWQY-UHFFFAOYSA-N -1 1 386.372 1.532 20 0 GDADMM O=C([O-])N1CC(NC(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000833129402 604589755 /nfs/dbraw/zinc/58/97/55/604589755.db2.gz BNEAHRHZCDUKRG-CYBMUJFWSA-N -1 1 386.374 1.941 20 0 GDADMM COCCN1CC[C@H](NC(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)C1 ZINC000831740259 604591193 /nfs/dbraw/zinc/59/11/93/604591193.db2.gz FZNVNTUONPDNAX-SFHVURJKSA-N -1 1 390.484 1.691 20 0 GDADMM C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(SCCC(=O)[O-])c2)CN1C1CC1 ZINC000833597181 604628124 /nfs/dbraw/zinc/62/81/24/604628124.db2.gz OCWJGCDHKMAQOY-JSGCOSHPSA-N -1 1 391.493 1.933 20 0 GDADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000830084263 604650858 /nfs/dbraw/zinc/65/08/58/604650858.db2.gz IGJJTYHLQHCVEQ-MRXNPFEDSA-N -1 1 376.457 1.454 20 0 GDADMM COc1ccccc1[C@@H](CNC(=O)[C@@H]1CN(C(=O)[O-])CCO1)N1CCCC1 ZINC000829592495 604652942 /nfs/dbraw/zinc/65/29/42/604652942.db2.gz RLBXTDGYYURDCI-WBVHZDCISA-N -1 1 377.441 1.327 20 0 GDADMM COc1cc(-c2noc(CN3C[C@H](C)[C@@H](C(=O)[O-])C3)n2)cc(OC)c1OC ZINC000831856394 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389.496 1.829 20 0 GDADMM C[C@@H]1C[C@H](CNC(=O)[O-])CN1CC(=O)NCc1ccccc1Cn1cccn1 ZINC000833830088 605884988 /nfs/dbraw/zinc/88/49/88/605884988.db2.gz JMQWCWQRMMINKN-HZPDHXFCSA-N -1 1 385.468 1.526 20 0 GDADMM CNC(=O)c1cccc(NC(=O)[C@H](C)N2CCC3(C2)CCN(C(=O)[O-])CC3)c1 ZINC000833876986 605895410 /nfs/dbraw/zinc/89/54/10/605895410.db2.gz LTCWDQNSPKFIDD-AWEZNQCLSA-N -1 1 388.468 1.839 20 0 GDADMM C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1C[C@@H](CNC(=O)[O-])C[C@H]1C ZINC000833832213 605904897 /nfs/dbraw/zinc/90/48/97/605904897.db2.gz ROOVKSGEWKTDFI-OWCLPIDISA-N -1 1 390.484 1.828 20 0 GDADMM O=C([O-])N1CC2(C1)CC(=O)N(CNC1(c3cccc(F)c3)CCOCC1)C2 ZINC000834070877 605918369 /nfs/dbraw/zinc/91/83/69/605918369.db2.gz KBHIFYLJXPNFBD-UHFFFAOYSA-N -1 1 377.416 1.591 20 0 GDADMM COCCN1CCC[C@H]1CNC(=O)C(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC000833724208 605920219 /nfs/dbraw/zinc/92/02/19/605920219.db2.gz IZTOWMONRKGJSD-LBPRGKRZSA-N -1 1 383.832 1.204 20 0 GDADMM O=C([O-])NC[C@@H]1CCN(C(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C1 ZINC000834222431 605931729 /nfs/dbraw/zinc/93/17/29/605931729.db2.gz YFSFLQYEMFWVJH-QMMMGPOBSA-N -1 1 381.339 1.555 20 0 GDADMM O=C([O-])Nc1ccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c([O-])c1 ZINC000834258027 605957034 /nfs/dbraw/zinc/95/70/34/605957034.db2.gz SFQVPUKFVDFNGL-CVEARBPZSA-N -1 1 377.441 1.980 20 0 GDADMM O=C([O-])NC[C@@H]1CCCCN1C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000834213156 605966481 /nfs/dbraw/zinc/96/64/81/605966481.db2.gz AUELPNSDPHUOFV-KRWDZBQOSA-N -1 1 375.473 1.878 20 0 GDADMM O=C([O-])NCCNC(=O)[C@@H]1CCCN(Cc2c(C3CC3)nc3sccn23)C1 ZINC000834241136 605992394 /nfs/dbraw/zinc/99/23/94/605992394.db2.gz OXRBZBBMTXIYRE-CYBMUJFWSA-N -1 1 391.497 1.869 20 0 GDADMM Cc1noc(C)c1N(C)CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000822522987 606098097 /nfs/dbraw/zinc/09/80/97/606098097.db2.gz NFZAGXICFBSCNH-UHFFFAOYSA-N -1 1 393.411 1.732 20 0 GDADMM Cc1noc(C)c1N(C)CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000822522987 606098102 /nfs/dbraw/zinc/09/81/02/606098102.db2.gz NFZAGXICFBSCNH-UHFFFAOYSA-N -1 1 393.411 1.732 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCc2cnn(-c3ccccc3)c2)n1 ZINC000822620190 606158029 /nfs/dbraw/zinc/15/80/29/606158029.db2.gz KUJIBFKZBGWOEQ-UHFFFAOYSA-N -1 1 378.400 1.150 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCc2cnn(-c3ccccc3)c2)n1 ZINC000822620190 606158031 /nfs/dbraw/zinc/15/80/31/606158031.db2.gz KUJIBFKZBGWOEQ-UHFFFAOYSA-N -1 1 378.400 1.150 20 0 GDADMM COc1ccc(C[C@H](C)NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1OC ZINC000821787202 606159083 /nfs/dbraw/zinc/15/90/83/606159083.db2.gz QAPWMOYSARKEKG-JTQLQIEISA-N -1 1 386.416 1.370 20 0 GDADMM COc1ccc(C[C@H](C)NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1OC ZINC000821787202 606159084 /nfs/dbraw/zinc/15/90/84/606159084.db2.gz QAPWMOYSARKEKG-JTQLQIEISA-N -1 1 386.416 1.370 20 0 GDADMM COc1cc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c2ccccc2n1 ZINC000821717747 606161565 /nfs/dbraw/zinc/16/15/65/606161565.db2.gz XBVHMFNWRVZPIZ-UHFFFAOYSA-N -1 1 379.384 1.479 20 0 GDADMM COc1cc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c2ccccc2n1 ZINC000821717747 606161567 /nfs/dbraw/zinc/16/15/67/606161567.db2.gz XBVHMFNWRVZPIZ-UHFFFAOYSA-N -1 1 379.384 1.479 20 0 GDADMM COC(=O)C=Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000778659872 606162357 /nfs/dbraw/zinc/16/23/57/606162357.db2.gz HPRTWRPGRRWSHC-YFHOEESVSA-N -1 1 385.405 1.854 20 0 GDADMM CN(C(=O)Nc1nn(C)cc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000821572275 606162419 /nfs/dbraw/zinc/16/24/19/606162419.db2.gz YHFAIAWWVBYINO-SNVBAGLBSA-N -1 1 391.436 1.073 20 0 GDADMM CN(C(=O)Nc1nn(C)cc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000821572275 606162420 /nfs/dbraw/zinc/16/24/20/606162420.db2.gz YHFAIAWWVBYINO-SNVBAGLBSA-N -1 1 391.436 1.073 20 0 GDADMM COc1ccc2[nH]cc(CCNC(=O)Nc3nn(C)cc3-c3nnn[n-]3)c2c1 ZINC000821845117 606170136 /nfs/dbraw/zinc/17/01/36/606170136.db2.gz AWXPPJLEPZKOHA-UHFFFAOYSA-N -1 1 381.400 1.454 20 0 GDADMM COc1ccc2[nH]cc(CCNC(=O)Nc3nn(C)cc3-c3nn[n-]n3)c2c1 ZINC000821845117 606170137 /nfs/dbraw/zinc/17/01/37/606170137.db2.gz AWXPPJLEPZKOHA-UHFFFAOYSA-N -1 1 381.400 1.454 20 0 GDADMM CCN(Cc1ccncc1)C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821230365 606182886 /nfs/dbraw/zinc/18/28/86/606182886.db2.gz IFYIMUVPFQDVIV-UHFFFAOYSA-N -1 1 381.440 1.960 20 0 GDADMM CCOC(=O)N1CCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)CC1 ZINC000821334812 606189669 /nfs/dbraw/zinc/18/96/69/606189669.db2.gz QGSGGBKBSFKYDG-UHFFFAOYSA-N -1 1 399.411 1.473 20 0 GDADMM CCOC(=O)N1CCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)CC1 ZINC000821334812 606189670 /nfs/dbraw/zinc/18/96/70/606189670.db2.gz QGSGGBKBSFKYDG-UHFFFAOYSA-N -1 1 399.411 1.473 20 0 GDADMM C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000820384406 606294916 /nfs/dbraw/zinc/29/49/16/606294916.db2.gz DHBKQDPAOPVWJY-VIFPVBQESA-N -1 1 392.379 1.206 20 0 GDADMM COC[C@@H]1CCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000821685095 606435269 /nfs/dbraw/zinc/43/52/69/606435269.db2.gz UCWJWKNXZUJGHQ-JTQLQIEISA-N -1 1 391.375 1.685 20 0 GDADMM CC[C@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)Oc1ccccc1C ZINC000820907988 606435560 /nfs/dbraw/zinc/43/55/60/606435560.db2.gz HPMJPNYPFBTJMQ-CYBMUJFWSA-N -1 1 388.453 1.706 20 0 GDADMM CC[C@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)Oc1ccccc1C ZINC000820907988 606435561 /nfs/dbraw/zinc/43/55/61/606435561.db2.gz HPMJPNYPFBTJMQ-CYBMUJFWSA-N -1 1 388.453 1.706 20 0 GDADMM NC(=O)[C@@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)Cc1ccc(F)cc1 ZINC000822850412 606465249 /nfs/dbraw/zinc/46/52/49/606465249.db2.gz GUIITFVBBKRRHZ-SNVBAGLBSA-N -1 1 375.795 1.810 20 0 GDADMM NC(=O)[C@@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)Cc1ccc(F)cc1 ZINC000822850412 606465251 /nfs/dbraw/zinc/46/52/51/606465251.db2.gz GUIITFVBBKRRHZ-SNVBAGLBSA-N -1 1 375.795 1.810 20 0 GDADMM CCO[C@@H]1C[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C12CCCCC2 ZINC000821360323 606484294 /nfs/dbraw/zinc/48/42/94/606484294.db2.gz QRAICRCMHAUBKD-LSDHHAIUSA-N -1 1 392.485 1.668 20 0 GDADMM CCO[C@@H]1C[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C12CCCCC2 ZINC000821360323 606484296 /nfs/dbraw/zinc/48/42/96/606484296.db2.gz QRAICRCMHAUBKD-LSDHHAIUSA-N -1 1 392.485 1.668 20 0 GDADMM COc1ccc(OC)c2c1CN(C(=O)c1ccc(-c3nnn[n-]3)s1)C[C@@H]2O ZINC000821842650 606497215 /nfs/dbraw/zinc/49/72/15/606497215.db2.gz VAROWHWJEXETBC-JTQLQIEISA-N -1 1 387.421 1.635 20 0 GDADMM COc1ccc(OC)c2c1CN(C(=O)c1ccc(-c3nn[n-]n3)s1)C[C@@H]2O ZINC000821842650 606497217 /nfs/dbraw/zinc/49/72/17/606497217.db2.gz VAROWHWJEXETBC-JTQLQIEISA-N -1 1 387.421 1.635 20 0 GDADMM O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823219486 606531850 /nfs/dbraw/zinc/53/18/50/606531850.db2.gz JWLZANOQHRGLKP-UHFFFAOYSA-N -1 1 397.869 1.785 20 0 GDADMM O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823219486 606531852 /nfs/dbraw/zinc/53/18/52/606531852.db2.gz JWLZANOQHRGLKP-UHFFFAOYSA-N -1 1 397.869 1.785 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000823483159 606565445 /nfs/dbraw/zinc/56/54/45/606565445.db2.gz DOAZLQPKXCVRAW-UHFFFAOYSA-N -1 1 389.872 1.935 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000823483159 606565447 /nfs/dbraw/zinc/56/54/47/606565447.db2.gz DOAZLQPKXCVRAW-UHFFFAOYSA-N -1 1 389.872 1.935 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CCO[C@H](c3ccco3)C2)cc1-c1nn[n-]n1 ZINC000821970242 606633306 /nfs/dbraw/zinc/63/33/06/606633306.db2.gz MFQIFRGNMNWURB-LBPRGKRZSA-N -1 1 388.409 1.496 20 0 GDADMM CCN(C(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1S(=O)(=O)CC ZINC000821160548 606646357 /nfs/dbraw/zinc/64/63/57/606646357.db2.gz MPQZLFSHBFQJHN-UHFFFAOYSA-N -1 1 386.437 1.722 20 0 GDADMM CCN(C(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1S(=O)(=O)CC ZINC000821160548 606646358 /nfs/dbraw/zinc/64/63/58/606646358.db2.gz MPQZLFSHBFQJHN-UHFFFAOYSA-N -1 1 386.437 1.722 20 0 GDADMM C[C@H]1C(=O)Nc2cc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)ccc2N1C ZINC000820641368 606646888 /nfs/dbraw/zinc/64/68/88/606646888.db2.gz BYFWMICCRGTGAW-JTQLQIEISA-N -1 1 379.380 1.396 20 0 GDADMM C[C@H]1C(=O)Nc2cc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)ccc2N1C ZINC000820641368 606646889 /nfs/dbraw/zinc/64/68/89/606646889.db2.gz BYFWMICCRGTGAW-JTQLQIEISA-N -1 1 379.380 1.396 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)OCc2ccnc(-c3nnn[n-]3)c2)C1 ZINC000819940330 606650041 /nfs/dbraw/zinc/65/00/41/606650041.db2.gz XLNAKDYYTFCXMY-CHWSQXEVSA-N -1 1 388.428 1.998 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)OCc2ccnc(-c3nn[n-]n3)c2)C1 ZINC000819940330 606650042 /nfs/dbraw/zinc/65/00/42/606650042.db2.gz XLNAKDYYTFCXMY-CHWSQXEVSA-N -1 1 388.428 1.998 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)O[C@H](C)C1CCOCC1 ZINC000822010203 606654413 /nfs/dbraw/zinc/65/44/13/606654413.db2.gz RZAUUSSYUWMDIA-GFCCVEGCSA-N -1 1 375.429 1.875 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)O[C@@H](C)C1CCOCC1 ZINC000822458634 606654503 /nfs/dbraw/zinc/65/45/03/606654503.db2.gz GOHSWKASCQCHOI-ZDUSSCGKSA-N -1 1 399.455 1.817 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)O[C@@H](C)C1CCOCC1 ZINC000822458634 606654504 /nfs/dbraw/zinc/65/45/04/606654504.db2.gz GOHSWKASCQCHOI-ZDUSSCGKSA-N -1 1 399.455 1.817 20 0 GDADMM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(c2cccc(-c3nnn[n-]3)n2)CCO1 ZINC000820384367 606727039 /nfs/dbraw/zinc/72/70/39/606727039.db2.gz CMDQWIBWDZBDCT-AAEUAGOBSA-N -1 1 375.433 1.380 20 0 GDADMM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(c2cccc(-c3nn[n-]n3)n2)CCO1 ZINC000820384367 606727040 /nfs/dbraw/zinc/72/70/40/606727040.db2.gz CMDQWIBWDZBDCT-AAEUAGOBSA-N -1 1 375.433 1.380 20 0 GDADMM CCC1(CNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)CCCC1 ZINC000820962280 606747074 /nfs/dbraw/zinc/74/70/74/606747074.db2.gz MRLSHUUPTOPYSI-CQSZACIVSA-N -1 1 399.503 1.847 20 0 GDADMM CCC1(CNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)CCCC1 ZINC000820962280 606747077 /nfs/dbraw/zinc/74/70/77/606747077.db2.gz MRLSHUUPTOPYSI-CQSZACIVSA-N -1 1 399.503 1.847 20 0 GDADMM Cc1cnc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)s1 ZINC000822394470 606768708 /nfs/dbraw/zinc/76/87/08/606768708.db2.gz AKKGPLFQAWWOLU-SECBINFHSA-N -1 1 386.445 1.164 20 0 GDADMM Cc1cnc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)s1 ZINC000822394470 606768709 /nfs/dbraw/zinc/76/87/09/606768709.db2.gz AKKGPLFQAWWOLU-SECBINFHSA-N -1 1 386.445 1.164 20 0 GDADMM Cc1nn(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c(=S)s1 ZINC000822500917 606770149 /nfs/dbraw/zinc/77/01/49/606770149.db2.gz MHERFCGGVRUMBV-VIFPVBQESA-N -1 1 390.502 1.121 20 0 GDADMM Cc1nn(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c(=S)s1 ZINC000822500917 606770151 /nfs/dbraw/zinc/77/01/51/606770151.db2.gz MHERFCGGVRUMBV-VIFPVBQESA-N -1 1 390.502 1.121 20 0 GDADMM Cc1cc(-c2nn[nH]n2)ccc1Oc1ccc(C(=O)NCc2nn[n-]n2)cc1 ZINC000822143302 606792701 /nfs/dbraw/zinc/79/27/01/606792701.db2.gz AZWLECGEPDYRAJ-UHFFFAOYSA-N -1 1 377.368 1.411 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CC[C@]2(CCOC2)C1 ZINC000822459769 606814052 /nfs/dbraw/zinc/81/40/52/606814052.db2.gz VUHSWNDPFCLDEC-IBGZPJMESA-N -1 1 396.455 1.098 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CC[C@]2(CCOC2)C1 ZINC000822459769 606814053 /nfs/dbraw/zinc/81/40/53/606814053.db2.gz VUHSWNDPFCLDEC-IBGZPJMESA-N -1 1 396.455 1.098 20 0 GDADMM CCOC(=O)c1sc([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)nc2)nc1C ZINC000821345949 606814100 /nfs/dbraw/zinc/81/41/00/606814100.db2.gz BFOGOVNMIJDEFJ-SECBINFHSA-N -1 1 387.425 1.694 20 0 GDADMM CCOC(=O)c1sc([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)nc2)nc1C ZINC000821345949 606814102 /nfs/dbraw/zinc/81/41/02/606814102.db2.gz BFOGOVNMIJDEFJ-SECBINFHSA-N -1 1 387.425 1.694 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@@H](C)CNc2ccccc2)cc1-c1nn[n-]n1 ZINC000821970185 606817067 /nfs/dbraw/zinc/81/70/67/606817067.db2.gz KKZGBMHLNPMIHA-JTQLQIEISA-N -1 1 385.453 1.920 20 0 GDADMM Cc1cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c(C)s1 ZINC000822168845 606820530 /nfs/dbraw/zinc/82/05/30/606820530.db2.gz SZIFRUMXLNSFOJ-JTQLQIEISA-N -1 1 384.469 1.686 20 0 GDADMM Cc1cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c(C)s1 ZINC000822168845 606820531 /nfs/dbraw/zinc/82/05/31/606820531.db2.gz SZIFRUMXLNSFOJ-JTQLQIEISA-N -1 1 384.469 1.686 20 0 GDADMM CCc1sc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cc1C ZINC000821563724 606820919 /nfs/dbraw/zinc/82/09/19/606820919.db2.gz CDRILMQTUJZKAW-LBPRGKRZSA-N -1 1 398.496 1.940 20 0 GDADMM CCc1sc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cc1C ZINC000821563724 606820921 /nfs/dbraw/zinc/82/09/21/606820921.db2.gz CDRILMQTUJZKAW-LBPRGKRZSA-N -1 1 398.496 1.940 20 0 GDADMM CC(=CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)c1ccccc1 ZINC000819766322 606821289 /nfs/dbraw/zinc/82/12/89/606821289.db2.gz WPHZTWWCCBCGQX-ZQHYZAEZSA-N -1 1 390.451 1.797 20 0 GDADMM CC(=CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)c1ccccc1 ZINC000819766322 606821291 /nfs/dbraw/zinc/82/12/91/606821291.db2.gz WPHZTWWCCBCGQX-ZQHYZAEZSA-N -1 1 390.451 1.797 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc(Cl)cn1 ZINC000820788468 606821906 /nfs/dbraw/zinc/82/19/06/606821906.db2.gz HRJKUHHNVWVXPD-SNVBAGLBSA-N -1 1 385.819 1.056 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc(Cl)cn1 ZINC000820788468 606821907 /nfs/dbraw/zinc/82/19/07/606821907.db2.gz HRJKUHHNVWVXPD-SNVBAGLBSA-N -1 1 385.819 1.056 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1csc(C2CC2)n1 ZINC000820788464 606829797 /nfs/dbraw/zinc/82/97/97/606829797.db2.gz HRINQLTWXUMKOP-SNVBAGLBSA-N -1 1 397.468 1.342 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1csc(C2CC2)n1 ZINC000820788464 606829799 /nfs/dbraw/zinc/82/97/99/606829799.db2.gz HRINQLTWXUMKOP-SNVBAGLBSA-N -1 1 397.468 1.342 20 0 GDADMM Cc1ccc(F)c(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1 ZINC000822240181 606832061 /nfs/dbraw/zinc/83/20/61/606832061.db2.gz WACVWUSYOSYWNN-LBPRGKRZSA-N -1 1 397.418 1.847 20 0 GDADMM Cc1ccc(F)c(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1 ZINC000822240181 606832062 /nfs/dbraw/zinc/83/20/62/606832062.db2.gz WACVWUSYOSYWNN-LBPRGKRZSA-N -1 1 397.418 1.847 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC(C)(C)CCC(=O)OC(C)(C)C)n1 ZINC000822609841 606835142 /nfs/dbraw/zinc/83/51/42/606835142.db2.gz WQPHCDNHZQTFJX-UHFFFAOYSA-N -1 1 378.437 1.622 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC(C)(C)CCC(=O)OC(C)(C)C)n1 ZINC000822609841 606835144 /nfs/dbraw/zinc/83/51/44/606835144.db2.gz WQPHCDNHZQTFJX-UHFFFAOYSA-N -1 1 378.437 1.622 20 0 GDADMM CN(CCOc1ccccc1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821605083 606840874 /nfs/dbraw/zinc/84/08/74/606840874.db2.gz UQVXMAOHNKWPPM-UHFFFAOYSA-N -1 1 377.401 1.705 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCN(Cc2ccco2)CC1 ZINC000823606477 606841396 /nfs/dbraw/zinc/84/13/96/606841396.db2.gz IKQUNFKQASAOOI-UHFFFAOYSA-N -1 1 392.416 1.105 20 0 GDADMM CC(C)(C)OC(=O)CCCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000819928663 606844421 /nfs/dbraw/zinc/84/44/21/606844421.db2.gz UDVAPKCWRMODTR-UHFFFAOYSA-N -1 1 385.421 1.406 20 0 GDADMM Cc1ccc(I)c(C(=O)n2ncc(-c3nn[n-]n3)c2N)c1 ZINC000822241264 606858682 /nfs/dbraw/zinc/85/86/82/606858682.db2.gz PVZLMOPDNZQONE-UHFFFAOYSA-N -1 1 395.164 1.247 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCOC2(C1)CCCCCC2 ZINC000823601070 606875555 /nfs/dbraw/zinc/87/55/55/606875555.db2.gz PNTBSWYASOEBAL-UHFFFAOYSA-N -1 1 378.458 1.376 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCOC2(C1)CCCCCC2 ZINC000823601070 606875558 /nfs/dbraw/zinc/87/55/58/606875558.db2.gz PNTBSWYASOEBAL-UHFFFAOYSA-N -1 1 378.458 1.376 20 0 GDADMM CN(C)c1ccc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)cn1 ZINC000821589382 606886670 /nfs/dbraw/zinc/88/66/70/606886670.db2.gz LILMNUYISBBWRO-UHFFFAOYSA-N -1 1 395.395 1.084 20 0 GDADMM COC(=O)c1cccc(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000821670358 606897510 /nfs/dbraw/zinc/89/75/10/606897510.db2.gz ZLWMLCBNLYEOKC-UHFFFAOYSA-N -1 1 391.384 1.271 20 0 GDADMM CCc1nnc(Oc2ccc(OCC(=O)NC)cc2)c(-c2nnn[n-]2)c1CC ZINC000821547817 606936027 /nfs/dbraw/zinc/93/60/27/606936027.db2.gz CRMURVKVPNXKAK-UHFFFAOYSA-N -1 1 383.412 1.699 20 0 GDADMM CCc1nnc(Oc2ccc(OCC(=O)NC)cc2)c(-c2nn[n-]n2)c1CC ZINC000821547817 606936029 /nfs/dbraw/zinc/93/60/29/606936029.db2.gz CRMURVKVPNXKAK-UHFFFAOYSA-N -1 1 383.412 1.699 20 0 GDADMM CC1(C)CN=C(N2CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)S1 ZINC000820606727 606943005 /nfs/dbraw/zinc/94/30/05/606943005.db2.gz AXBPJSAXJJITGX-UHFFFAOYSA-N -1 1 378.893 1.919 20 0 GDADMM CC1(C)CN=C(N2CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)S1 ZINC000820606727 606943007 /nfs/dbraw/zinc/94/30/07/606943007.db2.gz AXBPJSAXJJITGX-UHFFFAOYSA-N -1 1 378.893 1.919 20 0 GDADMM COC(C)(C)CN(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000821672181 606944431 /nfs/dbraw/zinc/94/44/31/606944431.db2.gz BHLBVFHRCWVKDH-UHFFFAOYSA-N -1 1 393.391 1.931 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCOC2(CCCC2)C1 ZINC000823607115 607006005 /nfs/dbraw/zinc/00/60/05/607006005.db2.gz QKADOJYJTOXSFG-UHFFFAOYSA-N -1 1 383.861 1.854 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCOC2(CCCC2)C1 ZINC000823607115 607006006 /nfs/dbraw/zinc/00/60/06/607006006.db2.gz QKADOJYJTOXSFG-UHFFFAOYSA-N -1 1 383.861 1.854 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H](C)CC(=O)c1ccco1 ZINC000822004394 607103538 /nfs/dbraw/zinc/10/35/38/607103538.db2.gz GQEHWSZBQRZJGM-SNVBAGLBSA-N -1 1 398.423 1.887 20 0 GDADMM CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ncc(-c3nnn[n-]3)s2)CC1 ZINC000819933061 607107778 /nfs/dbraw/zinc/10/77/78/607107778.db2.gz DQSHVOWZQNATMO-UHFFFAOYSA-N -1 1 379.446 1.909 20 0 GDADMM CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ncc(-c3nn[n-]n3)s2)CC1 ZINC000819933061 607107780 /nfs/dbraw/zinc/10/77/80/607107780.db2.gz DQSHVOWZQNATMO-UHFFFAOYSA-N -1 1 379.446 1.909 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@H]1CC[C@H](CO)CC1 ZINC000822459791 607186307 /nfs/dbraw/zinc/18/63/07/607186307.db2.gz WTNNNNYFENIZJS-HDJSIYSDSA-N -1 1 398.471 1.126 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@H]1CC[C@H](CO)CC1 ZINC000822459791 607186308 /nfs/dbraw/zinc/18/63/08/607186308.db2.gz WTNNNNYFENIZJS-HDJSIYSDSA-N -1 1 398.471 1.126 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000823123229 607207739 /nfs/dbraw/zinc/20/77/39/607207739.db2.gz TWKUSTXEDAFQFZ-LLVKDONJSA-N -1 1 379.384 1.006 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1cccnc1Oc1cccc(F)c1 ZINC000823131033 607208375 /nfs/dbraw/zinc/20/83/75/607208375.db2.gz BATJFAJULCVVQF-UHFFFAOYSA-N -1 1 395.358 1.101 20 0 GDADMM Cc1[nH]c2ccccc2c1C1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000822009862 607209424 /nfs/dbraw/zinc/20/94/24/607209424.db2.gz FNSVMVWABOZYEU-UHFFFAOYSA-N -1 1 391.439 1.654 20 0 GDADMM Cc1cc(Cl)ccc1OCCCNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822202364 607210613 /nfs/dbraw/zinc/21/06/13/607210613.db2.gz WTUPSJPNQPMLEC-UHFFFAOYSA-N -1 1 376.808 1.005 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1nnc(-c2ccccc2Cl)s1 ZINC000823136122 607211075 /nfs/dbraw/zinc/21/10/75/607211075.db2.gz KXWZOLATMSFXAE-UHFFFAOYSA-N -1 1 388.804 1.269 20 0 GDADMM CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820333811 607217803 /nfs/dbraw/zinc/21/78/03/607217803.db2.gz GQZRNXNIGBGKMD-NSHDSACASA-N -1 1 380.416 1.266 20 0 GDADMM CCCN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000821083260 607218798 /nfs/dbraw/zinc/21/87/98/607218798.db2.gz WLPMNYZMMWSLDE-ZIAGYGMSSA-N -1 1 388.476 1.435 20 0 GDADMM C[C@H](CCNC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1cccc(C(F)(F)F)c1 ZINC000820242752 607220553 /nfs/dbraw/zinc/22/05/53/607220553.db2.gz QNLLPWPRTRYOLN-SNVBAGLBSA-N -1 1 394.361 1.787 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCCC[C@H]1c1nc2ccccc2o1 ZINC000823126656 607224783 /nfs/dbraw/zinc/22/47/83/607224783.db2.gz LATWTLPAGWXRKN-LBPRGKRZSA-N -1 1 379.384 1.353 20 0 GDADMM CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000825119527 607775188 /nfs/dbraw/zinc/77/51/88/607775188.db2.gz DNJVKZCMPZNDJT-LLVKDONJSA-N -1 1 391.478 1.911 20 0 GDADMM CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000825119527 607775189 /nfs/dbraw/zinc/77/51/89/607775189.db2.gz DNJVKZCMPZNDJT-LLVKDONJSA-N -1 1 391.478 1.911 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC(Oc2ccccc2Cl)CC1 ZINC000826425193 607823570 /nfs/dbraw/zinc/82/35/70/607823570.db2.gz SZUMVCAEVCTTCS-UHFFFAOYSA-N -1 1 388.819 1.182 20 0 GDADMM C[C@](O)(CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000824670529 607973283 /nfs/dbraw/zinc/97/32/83/607973283.db2.gz QKCAYQFOOFKIET-INIZCTEOSA-N -1 1 395.391 1.331 20 0 GDADMM CCn1cc(-c2nn[n-]n2)c(=O)n(C[C@H](O)c2ccc(Cl)cc2Cl)c1=O ZINC000825796791 607981792 /nfs/dbraw/zinc/98/17/92/607981792.db2.gz NYQIZZFHVCXNCY-LBPRGKRZSA-N -1 1 397.222 1.250 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000826450996 607998230 /nfs/dbraw/zinc/99/82/30/607998230.db2.gz LWZJIIVUKNLZQP-KBPBESRZSA-N -1 1 384.440 1.940 20 0 GDADMM COC(=O)[C@@H]1CCCC[C@]1(C)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826134589 608000651 /nfs/dbraw/zinc/00/06/51/608000651.db2.gz YYWSPBJUIAFATE-QFYYESIMSA-N -1 1 397.432 1.406 20 0 GDADMM COC(=O)[C@@H]1CCCC[C@]1(C)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826134589 608000652 /nfs/dbraw/zinc/00/06/52/608000652.db2.gz YYWSPBJUIAFATE-QFYYESIMSA-N -1 1 397.432 1.406 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2COc3ccc(Br)cc32)n1 ZINC000826356843 608005922 /nfs/dbraw/zinc/00/59/22/608005922.db2.gz IDTCTLZOFVRYQZ-SNVBAGLBSA-N -1 1 390.201 1.477 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2COc3ccc(Br)cc32)n1 ZINC000826356843 608005923 /nfs/dbraw/zinc/00/59/23/608005923.db2.gz IDTCTLZOFVRYQZ-SNVBAGLBSA-N -1 1 390.201 1.477 20 0 GDADMM COC(=O)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)Oc1ccc(F)cc1 ZINC000826103610 608007108 /nfs/dbraw/zinc/00/71/08/608007108.db2.gz IOUVVYCFMNGZHD-LLVKDONJSA-N -1 1 391.384 1.418 20 0 GDADMM COC(=O)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)Oc1ccc(F)cc1 ZINC000826103610 608007109 /nfs/dbraw/zinc/00/71/09/608007109.db2.gz IOUVVYCFMNGZHD-LLVKDONJSA-N -1 1 391.384 1.418 20 0 GDADMM Cc1cnc(CN2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)nc1 ZINC000826318642 608033256 /nfs/dbraw/zinc/03/32/56/608033256.db2.gz TVYVUHQQJVZRSO-UHFFFAOYSA-N -1 1 393.411 1.535 20 0 GDADMM Cc1oc(NC(=O)CN2CCn3c(nnc3C(F)F)C2)c(-c2nn[n-]n2)c1C ZINC000826341850 608043925 /nfs/dbraw/zinc/04/39/25/608043925.db2.gz RMUPMXNPCKGGHS-UHFFFAOYSA-N -1 1 393.358 1.060 20 0 GDADMM COc1ccc([C@@](C)(O)[C@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000826188057 608087946 /nfs/dbraw/zinc/08/79/46/608087946.db2.gz MHVLNWOLJAUWSN-YLJYHZDGSA-N -1 1 394.435 1.783 20 0 GDADMM COc1ccc([C@@](C)(O)[C@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000826188057 608087947 /nfs/dbraw/zinc/08/79/47/608087947.db2.gz MHVLNWOLJAUWSN-YLJYHZDGSA-N -1 1 394.435 1.783 20 0 GDADMM C[C@H]1C[C@H](C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)CCC1=O ZINC000824864544 608117065 /nfs/dbraw/zinc/11/70/65/608117065.db2.gz BUEBHXWCRQFZEW-WCQYABFASA-N -1 1 399.455 1.386 20 0 GDADMM Cc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)cc1 ZINC000826290561 608124468 /nfs/dbraw/zinc/12/44/68/608124468.db2.gz QJSDWYUGBLVLAY-UHFFFAOYSA-N -1 1 385.453 1.081 20 0 GDADMM Cc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)cc1 ZINC000826290561 608124469 /nfs/dbraw/zinc/12/44/69/608124469.db2.gz QJSDWYUGBLVLAY-UHFFFAOYSA-N -1 1 385.453 1.081 20 0 GDADMM O=S(=O)(NC[C@@H](O)CCc1ccccc1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826489645 608126906 /nfs/dbraw/zinc/12/69/06/608126906.db2.gz WJKSJIWGGRIJBQ-AWEZNQCLSA-N -1 1 391.428 1.278 20 0 GDADMM C[C@H](CN(C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1nccs1 ZINC000824413556 608127021 /nfs/dbraw/zinc/12/70/21/608127021.db2.gz NHSOZTFXMUEEMU-SECBINFHSA-N -1 1 382.446 1.887 20 0 GDADMM O=S(=O)(NCC1(CO)CCC1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826490077 608127030 /nfs/dbraw/zinc/12/70/30/608127030.db2.gz JJAOMVZQTVXHOB-UHFFFAOYSA-N -1 1 391.375 1.326 20 0 GDADMM CCOC(=O)[C@H](C)[C@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825485641 608127352 /nfs/dbraw/zinc/12/73/52/608127352.db2.gz HWHJJESHIFQLSG-BDAKNGLRSA-N -1 1 387.849 1.386 20 0 GDADMM CCOC(=O)[C@H](C)[C@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825485641 608127353 /nfs/dbraw/zinc/12/73/53/608127353.db2.gz HWHJJESHIFQLSG-BDAKNGLRSA-N -1 1 387.849 1.386 20 0 GDADMM CCn1c(Sc2snc(Cl)c2-c2nnn[n-]2)nnc1N1CCOCC1 ZINC000825797317 608173768 /nfs/dbraw/zinc/17/37/68/608173768.db2.gz ZLSIIJWZZYZIMM-UHFFFAOYSA-N -1 1 399.893 1.576 20 0 GDADMM CCn1c(Sc2snc(Cl)c2-c2nn[n-]n2)nnc1N1CCOCC1 ZINC000825797317 608173770 /nfs/dbraw/zinc/17/37/70/608173770.db2.gz ZLSIIJWZZYZIMM-UHFFFAOYSA-N -1 1 399.893 1.576 20 0 GDADMM COCCNC(=O)[C@H]1CC[C@@H](C)N(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000826160334 608179528 /nfs/dbraw/zinc/17/95/28/608179528.db2.gz OQRYLGXDYBRGKZ-BDAKNGLRSA-N -1 1 385.881 1.344 20 0 GDADMM COCCNC(=O)[C@H]1CC[C@@H](C)N(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000826160334 608179530 /nfs/dbraw/zinc/17/95/30/608179530.db2.gz OQRYLGXDYBRGKZ-BDAKNGLRSA-N -1 1 385.881 1.344 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@H](CCO)c2ccccc2)cc1-c1nn[n-]n1 ZINC000826229574 608194075 /nfs/dbraw/zinc/19/40/75/608194075.db2.gz JHOPZFJPCXFSJF-CYBMUJFWSA-N -1 1 386.437 1.543 20 0 GDADMM CCC1(O)CCC(NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000825176577 608246856 /nfs/dbraw/zinc/24/68/56/608246856.db2.gz YVKNEHCSGVCKBZ-UHFFFAOYSA-N -1 1 385.877 1.882 20 0 GDADMM CCC1(O)CCC(NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000825176577 608246857 /nfs/dbraw/zinc/24/68/57/608246857.db2.gz YVKNEHCSGVCKBZ-UHFFFAOYSA-N -1 1 385.877 1.882 20 0 GDADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000826223344 608336074 /nfs/dbraw/zinc/33/60/74/608336074.db2.gz JRMRZOWRCIQQRQ-UHFFFAOYSA-N -1 1 377.361 1.025 20 0 GDADMM C[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)[C@@H]1C ZINC000824928810 608338392 /nfs/dbraw/zinc/33/83/92/608338392.db2.gz UUXKGSJXEJLIAT-WZRBSPASSA-N -1 1 388.476 1.698 20 0 GDADMM C[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)[C@@H]1C ZINC000824928810 608338394 /nfs/dbraw/zinc/33/83/94/608338394.db2.gz UUXKGSJXEJLIAT-WZRBSPASSA-N -1 1 388.476 1.698 20 0 GDADMM CCCCC[C@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825268800 608338559 /nfs/dbraw/zinc/33/85/59/608338559.db2.gz YRAOZWHPWPMRFC-NSHDSACASA-N -1 1 376.465 1.842 20 0 GDADMM CCCCC[C@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825268800 608338561 /nfs/dbraw/zinc/33/85/61/608338561.db2.gz YRAOZWHPWPMRFC-NSHDSACASA-N -1 1 376.465 1.842 20 0 GDADMM COC[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(F)c(F)c1 ZINC000826150336 608339266 /nfs/dbraw/zinc/33/92/66/608339266.db2.gz BKMUSROATNBPDL-GFCCVEGCSA-N -1 1 378.343 1.388 20 0 GDADMM COC[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(F)c(F)c1 ZINC000826150336 608339268 /nfs/dbraw/zinc/33/92/68/608339268.db2.gz BKMUSROATNBPDL-GFCCVEGCSA-N -1 1 378.343 1.388 20 0 GDADMM Cc1ccc(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)s1 ZINC000826287972 608340766 /nfs/dbraw/zinc/34/07/66/608340766.db2.gz LKMCJVWHRQLFFT-UHFFFAOYSA-N -1 1 388.457 1.443 20 0 GDADMM Cc1ccc(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)s1 ZINC000826287972 608340768 /nfs/dbraw/zinc/34/07/68/608340768.db2.gz LKMCJVWHRQLFFT-UHFFFAOYSA-N -1 1 388.457 1.443 20 0 GDADMM C[C@H](c1ccccn1)N(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824772191 608351215 /nfs/dbraw/zinc/35/12/15/608351215.db2.gz VGKLHHYOWSPUGK-LLVKDONJSA-N -1 1 397.443 1.371 20 0 GDADMM C[C@H](c1ccccn1)N(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824772191 608351217 /nfs/dbraw/zinc/35/12/17/608351217.db2.gz VGKLHHYOWSPUGK-LLVKDONJSA-N -1 1 397.443 1.371 20 0 GDADMM C[C@@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)C(C)(C)C ZINC000824420163 608353092 /nfs/dbraw/zinc/35/30/92/608353092.db2.gz GMWMTKAASQCKPJ-JTQLQIEISA-N -1 1 376.465 1.555 20 0 GDADMM C[C@@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)C(C)(C)C ZINC000824420163 608353093 /nfs/dbraw/zinc/35/30/93/608353093.db2.gz GMWMTKAASQCKPJ-JTQLQIEISA-N -1 1 376.465 1.555 20 0 GDADMM CC[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000825193825 608354866 /nfs/dbraw/zinc/35/48/66/608354866.db2.gz NXWGXFQZVJAGEH-VXGBXAGGSA-N -1 1 388.476 1.842 20 0 GDADMM CC[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000825193825 608354867 /nfs/dbraw/zinc/35/48/67/608354867.db2.gz NXWGXFQZVJAGEH-VXGBXAGGSA-N -1 1 388.476 1.842 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N[C@H]2CCCc3[nH]ccc32)n1 ZINC000824147673 608355377 /nfs/dbraw/zinc/35/53/77/608355377.db2.gz GIJITQANEYMDMK-ZDUSSCGKSA-N -1 1 397.443 1.279 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N[C@H]2CCCc3[nH]ccc32)n1 ZINC000824147673 608355379 /nfs/dbraw/zinc/35/53/79/608355379.db2.gz GIJITQANEYMDMK-ZDUSSCGKSA-N -1 1 397.443 1.279 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N[C@@H]2CC3CCC2CC3)n1 ZINC000824141868 608357251 /nfs/dbraw/zinc/35/72/51/608357251.db2.gz NCRQSWLJVKHQLH-GCZXYKMCSA-N -1 1 386.460 1.452 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N[C@@H]2CC3CCC2CC3)n1 ZINC000824141868 608357253 /nfs/dbraw/zinc/35/72/53/608357253.db2.gz NCRQSWLJVKHQLH-GCZXYKMCSA-N -1 1 386.460 1.452 20 0 GDADMM NC(=O)[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1cccc(Br)c1 ZINC000826388848 608407092 /nfs/dbraw/zinc/40/70/92/608407092.db2.gz KLIJJZQIZMMIEF-LLVKDONJSA-N -1 1 375.190 1.058 20 0 GDADMM NC(=O)[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1cccc(Br)c1 ZINC000826388848 608407093 /nfs/dbraw/zinc/40/70/93/608407093.db2.gz KLIJJZQIZMMIEF-LLVKDONJSA-N -1 1 375.190 1.058 20 0 GDADMM O=C(c1ccc(Cl)cc1F)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826473369 608410657 /nfs/dbraw/zinc/41/06/57/608410657.db2.gz VJASUOHZXWXQID-UHFFFAOYSA-N -1 1 388.794 1.412 20 0 GDADMM O=C(c1ccc(Cl)cc1F)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826473369 608410658 /nfs/dbraw/zinc/41/06/58/608410658.db2.gz VJASUOHZXWXQID-UHFFFAOYSA-N -1 1 388.794 1.412 20 0 GDADMM O=C(Cc1cccc(F)c1)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826423592 608429837 /nfs/dbraw/zinc/42/98/37/608429837.db2.gz WXEXHHOAMMXYOO-UHFFFAOYSA-N -1 1 382.403 1.077 20 0 GDADMM O=C(Cc1cccc(F)c1)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826423592 608429838 /nfs/dbraw/zinc/42/98/38/608429838.db2.gz WXEXHHOAMMXYOO-UHFFFAOYSA-N -1 1 382.403 1.077 20 0 GDADMM OC[C@H](CNc1ccc(-c2nnn[n-]2)nn1)Cc1ccccc1C(F)(F)F ZINC000826507919 608434452 /nfs/dbraw/zinc/43/44/52/608434452.db2.gz YWPBTSPTGJXIPL-JTQLQIEISA-N -1 1 379.346 1.939 20 0 GDADMM OC[C@H](CNc1ccc(-c2nn[n-]n2)nn1)Cc1ccccc1C(F)(F)F ZINC000826507919 608434454 /nfs/dbraw/zinc/43/44/54/608434454.db2.gz YWPBTSPTGJXIPL-JTQLQIEISA-N -1 1 379.346 1.939 20 0 GDADMM Cn1cnnc1[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826365453 608446681 /nfs/dbraw/zinc/44/66/81/608446681.db2.gz OSOVJNICQBKOEP-LLVKDONJSA-N -1 1 394.848 1.174 20 0 GDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000826280613 608543035 /nfs/dbraw/zinc/54/30/35/608543035.db2.gz IZHZCNFNBICAJJ-UHFFFAOYSA-N -1 1 375.440 1.540 20 0 GDADMM Cc1ccc(-c2nnn[n-]2)nc1N1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000826280689 608545224 /nfs/dbraw/zinc/54/52/24/608545224.db2.gz MFFREZMPTALMDH-UHFFFAOYSA-N -1 1 381.415 1.601 20 0 GDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000826280689 608545226 /nfs/dbraw/zinc/54/52/26/608545226.db2.gz MFFREZMPTALMDH-UHFFFAOYSA-N -1 1 381.415 1.601 20 0 GDADMM CC[C@H](Cc1ccccc1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825127493 608555193 /nfs/dbraw/zinc/55/51/93/608555193.db2.gz NDGFAXUACAQPGB-CQSZACIVSA-N -1 1 382.472 1.832 20 0 GDADMM CC[C@H](Cc1ccccc1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825127493 608555194 /nfs/dbraw/zinc/55/51/94/608555194.db2.gz NDGFAXUACAQPGB-CQSZACIVSA-N -1 1 382.472 1.832 20 0 GDADMM CSc1cc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)ccc1F ZINC000826229907 608555648 /nfs/dbraw/zinc/55/56/48/608555648.db2.gz WJQLEIGUUHYWOY-UHFFFAOYSA-N -1 1 390.448 1.738 20 0 GDADMM CSc1cc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)ccc1F ZINC000826229907 608555649 /nfs/dbraw/zinc/55/56/49/608555649.db2.gz WJQLEIGUUHYWOY-UHFFFAOYSA-N -1 1 390.448 1.738 20 0 GDADMM Cc1ccc([C@H](C)[C@@H](O)C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000826283417 608557605 /nfs/dbraw/zinc/55/76/05/608557605.db2.gz QMIFRZXRKZPSIU-BLLLJJGKSA-N -1 1 398.471 1.036 20 0 GDADMM Cc1ccc([C@H](C)[C@@H](O)C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000826283417 608557606 /nfs/dbraw/zinc/55/76/06/608557606.db2.gz QMIFRZXRKZPSIU-BLLLJJGKSA-N -1 1 398.471 1.036 20 0 GDADMM CCc1ccc([C@H](C)C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000825704230 608557833 /nfs/dbraw/zinc/55/78/33/608557833.db2.gz DUROURFUORZJDM-LBPRGKRZSA-N -1 1 382.472 1.929 20 0 GDADMM CCc1ccc([C@H](C)C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000825704230 608557834 /nfs/dbraw/zinc/55/78/34/608557834.db2.gz DUROURFUORZJDM-LBPRGKRZSA-N -1 1 382.472 1.929 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCc2ccccc2[C@@H]1CO ZINC000826496104 608565986 /nfs/dbraw/zinc/56/59/86/608565986.db2.gz KZHQVCYBATUWOQ-AWEZNQCLSA-N -1 1 389.412 1.286 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCc2ccccc2[C@@H]1CO ZINC000826496104 608565987 /nfs/dbraw/zinc/56/59/87/608565987.db2.gz KZHQVCYBATUWOQ-AWEZNQCLSA-N -1 1 389.412 1.286 20 0 GDADMM Cc1nc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)ccc1[C@H](C)O ZINC000826326490 608566719 /nfs/dbraw/zinc/56/67/19/608566719.db2.gz RLEFDSWIRBUHAN-JTQLQIEISA-N -1 1 392.416 1.241 20 0 GDADMM Cc1nc(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)ccc1[C@H](C)O ZINC000826326490 608566721 /nfs/dbraw/zinc/56/67/21/608566721.db2.gz RLEFDSWIRBUHAN-JTQLQIEISA-N -1 1 392.416 1.241 20 0 GDADMM O=C(Cn1ccnc1-c1nnn[n-]1)NCc1ccc(COc2ccccc2)cc1 ZINC000826425009 608888761 /nfs/dbraw/zinc/88/87/61/608888761.db2.gz MEEWGPXYPMUWOD-UHFFFAOYSA-N -1 1 389.419 1.959 20 0 GDADMM O=C(Cn1ccnc1-c1nn[n-]n1)NCc1ccc(COc2ccccc2)cc1 ZINC000826425009 608888764 /nfs/dbraw/zinc/88/87/64/608888764.db2.gz MEEWGPXYPMUWOD-UHFFFAOYSA-N -1 1 389.419 1.959 20 0 GDADMM O=S(=O)(NC[C@@H]1COC2(CCCCCC2)O1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826490606 609182812 /nfs/dbraw/zinc/18/28/12/609182812.db2.gz AUHDZQQSDLDVCH-GFCCVEGCSA-N -1 1 394.457 1.006 20 0 GDADMM O=S(=O)(NC[C@@H]1COC2(CCCCCC2)O1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826490606 609182814 /nfs/dbraw/zinc/18/28/14/609182814.db2.gz AUHDZQQSDLDVCH-GFCCVEGCSA-N -1 1 394.457 1.006 20 0 GDADMM CC(=O)N1CCC(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CC1 ZINC000823974530 609286653 /nfs/dbraw/zinc/28/66/53/609286653.db2.gz QBKBQQUXVXFQKJ-UHFFFAOYSA-N -1 1 398.402 1.389 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCCC[C@H]1[C@H](C)O ZINC000826328593 609295519 /nfs/dbraw/zinc/29/55/19/609295519.db2.gz WSBLVIMKHPDIGY-BBRMVZONSA-N -1 1 398.471 1.221 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCCC[C@H]1[C@H](C)O ZINC000826328593 609295521 /nfs/dbraw/zinc/29/55/21/609295521.db2.gz WSBLVIMKHPDIGY-BBRMVZONSA-N -1 1 398.471 1.221 20 0 GDADMM C[C@H](Cc1cccs1)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824457555 609298395 /nfs/dbraw/zinc/29/83/95/609298395.db2.gz PPJJVKTUGSYNMK-SNVBAGLBSA-N -1 1 389.489 1.439 20 0 GDADMM C[C@H](Cc1cccs1)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824457555 609298397 /nfs/dbraw/zinc/29/83/97/609298397.db2.gz PPJJVKTUGSYNMK-SNVBAGLBSA-N -1 1 389.489 1.439 20 0 GDADMM CC[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccccc1 ZINC000825132999 609300026 /nfs/dbraw/zinc/30/00/26/609300026.db2.gz GVRAHHPOSDISIA-CYBMUJFWSA-N -1 1 383.460 1.897 20 0 GDADMM CC[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccccc1 ZINC000825132999 609300028 /nfs/dbraw/zinc/30/00/28/609300028.db2.gz GVRAHHPOSDISIA-CYBMUJFWSA-N -1 1 383.460 1.897 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000825929269 609301034 /nfs/dbraw/zinc/30/10/34/609301034.db2.gz DYRZEBSPPAIYQQ-GXTWGEPZSA-N -1 1 399.434 1.441 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000825929269 609301035 /nfs/dbraw/zinc/30/10/35/609301035.db2.gz DYRZEBSPPAIYQQ-GXTWGEPZSA-N -1 1 399.434 1.441 20 0 GDADMM CC[C@H]1CCC[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1 ZINC000825194430 609302380 /nfs/dbraw/zinc/30/23/80/609302380.db2.gz QQUSJRQACXIIMW-NWDGAFQWSA-N -1 1 375.481 1.715 20 0 GDADMM CC[C@H]1CCC[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C1 ZINC000825194430 609302382 /nfs/dbraw/zinc/30/23/82/609302382.db2.gz QQUSJRQACXIIMW-NWDGAFQWSA-N -1 1 375.481 1.715 20 0 GDADMM Cc1ccc2c(c1)[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)CC2 ZINC000826294385 609303174 /nfs/dbraw/zinc/30/31/74/609303174.db2.gz QBRYWZJSSQDKSR-AWEZNQCLSA-N -1 1 395.471 1.742 20 0 GDADMM Cc1ccc2c(c1)[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)CC2 ZINC000826294385 609303176 /nfs/dbraw/zinc/30/31/76/609303176.db2.gz QBRYWZJSSQDKSR-AWEZNQCLSA-N -1 1 395.471 1.742 20 0 GDADMM CCc1nn(Cc2cc(C(=O)OC)ccc2F)c(=O)c(-c2nn[n-]n2)c1CC ZINC000825762672 609310101 /nfs/dbraw/zinc/31/01/01/609310101.db2.gz GNDUWGRZGVLXPJ-UHFFFAOYSA-N -1 1 386.387 1.522 20 0 GDADMM Cc1cc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cc(=O)[nH]1 ZINC000826260256 609311501 /nfs/dbraw/zinc/31/15/01/609311501.db2.gz DJGFSTQPBIUDGG-UHFFFAOYSA-N -1 1 380.343 1.853 20 0 GDADMM NC(=O)c1ccc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)o1 ZINC000826393551 609313577 /nfs/dbraw/zinc/31/35/77/609313577.db2.gz XQIICUWLTROEAN-UHFFFAOYSA-N -1 1 382.315 1.136 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CCC[C@H](OC(F)F)C2)cc1-c1nn[n-]n1 ZINC000826229944 609320074 /nfs/dbraw/zinc/32/00/74/609320074.db2.gz XLTGKJBIGOAMHU-ZETCQYMHSA-N -1 1 386.384 1.533 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@@H](F)Cc1ccccc1 ZINC000825001294 609328665 /nfs/dbraw/zinc/32/86/65/609328665.db2.gz YSEHRBJORQARCG-HIFRSBDPSA-N -1 1 396.430 1.275 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@@H](F)Cc1ccccc1 ZINC000825001294 609328668 /nfs/dbraw/zinc/32/86/68/609328668.db2.gz YSEHRBJORQARCG-HIFRSBDPSA-N -1 1 396.430 1.275 20 0 GDADMM O=C(C[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000826404906 609329642 /nfs/dbraw/zinc/32/96/42/609329642.db2.gz PQBMUQIDXFWYJA-CQSZACIVSA-N -1 1 398.448 1.688 20 0 GDADMM O=C(C[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000826404906 609329644 /nfs/dbraw/zinc/32/96/44/609329644.db2.gz PQBMUQIDXFWYJA-CQSZACIVSA-N -1 1 398.448 1.688 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)NCC(=O)NCC2CC2)c1-c1nn[n-]n1 ZINC000826231315 609332367 /nfs/dbraw/zinc/33/23/67/609332367.db2.gz GQFMSTZEQLLXAU-UHFFFAOYSA-N -1 1 387.469 1.117 20 0 GDADMM CN(C[C@H]1CCCC[C@@H]1O)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825909150 609333625 /nfs/dbraw/zinc/33/36/25/609333625.db2.gz SFSLJRNPTJGQTF-PWSUYJOCSA-N -1 1 385.877 1.692 20 0 GDADMM CN(C[C@H]1CCCC[C@@H]1O)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825909150 609333627 /nfs/dbraw/zinc/33/36/27/609333627.db2.gz SFSLJRNPTJGQTF-PWSUYJOCSA-N -1 1 385.877 1.692 20 0 GDADMM COC[C@H]1CCCN1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826153111 609356520 /nfs/dbraw/zinc/35/65/20/609356520.db2.gz BTDCALRVCBTCOB-LLVKDONJSA-N -1 1 386.391 1.834 20 0 GDADMM O=C(NCCn1cccn1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826439962 609359295 /nfs/dbraw/zinc/35/92/95/609359295.db2.gz RVLZLZGMPUCGDY-UHFFFAOYSA-N -1 1 382.363 1.210 20 0 GDADMM CC[C@@H]1CN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C[C@@H]1O ZINC000825200286 609363676 /nfs/dbraw/zinc/36/36/76/609363676.db2.gz ACMFDIHSXZMGLF-MFKMUULPSA-N -1 1 386.391 1.426 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccccc2N2CCCCC2)n1 ZINC000826357029 609382161 /nfs/dbraw/zinc/38/21/61/609382161.db2.gz OJSXEVOIEOUZPN-UHFFFAOYSA-N -1 1 381.444 1.912 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccccc2N2CCCCC2)n1 ZINC000826357029 609382163 /nfs/dbraw/zinc/38/21/63/609382163.db2.gz OJSXEVOIEOUZPN-UHFFFAOYSA-N -1 1 381.444 1.912 20 0 GDADMM CC(=O)N1CCN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)CC12CCCCC2 ZINC000823982276 609468208 /nfs/dbraw/zinc/46/82/08/609468208.db2.gz YMFQOASGZPTBGE-UHFFFAOYSA-N -1 1 387.444 1.099 20 0 GDADMM CC(=O)N1CCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)CC12CCCCC2 ZINC000823982276 609468209 /nfs/dbraw/zinc/46/82/09/609468209.db2.gz YMFQOASGZPTBGE-UHFFFAOYSA-N -1 1 387.444 1.099 20 0 GDADMM Cc1onc(CC(=O)N[C@@H]2CCCN(c3ccccc3F)C2)c1-c1nnn[n-]1 ZINC000826346399 609469440 /nfs/dbraw/zinc/46/94/40/609469440.db2.gz LPKRDALSWBADCA-GFCCVEGCSA-N -1 1 385.403 1.630 20 0 GDADMM Cc1onc(CC(=O)N[C@@H]2CCCN(c3ccccc3F)C2)c1-c1nn[n-]n1 ZINC000826346399 609469442 /nfs/dbraw/zinc/46/94/42/609469442.db2.gz LPKRDALSWBADCA-GFCCVEGCSA-N -1 1 385.403 1.630 20 0 GDADMM Cc1nc(S(=O)(=O)[N-]CCS(=O)(=O)c2ccc(F)cc2)sc1C ZINC000533253483 650047448 /nfs/dbraw/zinc/04/74/48/650047448.db2.gz ZWRDGCNHLBFXDV-UHFFFAOYSA-N -1 1 378.472 1.651 20 0 GDADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)CC2CC2)c(OC)c1 ZINC000534880310 650233774 /nfs/dbraw/zinc/23/37/74/650233774.db2.gz BVGKPLSIPJMSHZ-UHFFFAOYSA-N -1 1 376.500 1.877 20 0 GDADMM CN(C)S(=O)(=O)c1cc(C(=O)[N-]c2cc(S(C)(=O)=O)ccc2F)co1 ZINC000535167624 650243718 /nfs/dbraw/zinc/24/37/18/650243718.db2.gz PGJSZHUDSMTBAY-UHFFFAOYSA-N -1 1 390.414 1.325 20 0 GDADMM CC[C@@H]1c2ccsc2CCN1C(=O)CS(=O)(=O)c1nnc(COC)[n-]1 ZINC000539549760 650337201 /nfs/dbraw/zinc/33/72/01/650337201.db2.gz VGMSREPXZGQVHA-LLVKDONJSA-N -1 1 384.483 1.322 20 0 GDADMM CC[C@@H]1c2ccsc2CCN1C(=O)CS(=O)(=O)c1n[n-]c(COC)n1 ZINC000539549760 650337204 /nfs/dbraw/zinc/33/72/04/650337204.db2.gz VGMSREPXZGQVHA-LLVKDONJSA-N -1 1 384.483 1.322 20 0 GDADMM CCS(=O)(=O)N1CCC(C[N-]S(=O)(=O)c2nc(C)c(C)s2)CC1 ZINC000541811644 650391685 /nfs/dbraw/zinc/39/16/85/650391685.db2.gz HRPLOKSODJKNMG-UHFFFAOYSA-N -1 1 381.545 1.100 20 0 GDADMM COC(=O)[C@H]([N-]S(=O)(=O)[C@@H]1CCCOC1)c1ccc(OC(F)F)cc1 ZINC000541818055 650392381 /nfs/dbraw/zinc/39/23/81/650392381.db2.gz WXDVORGTBFHIQW-CHWSQXEVSA-N -1 1 379.381 1.601 20 0 GDADMM CCOC(=O)[C@@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000544710600 650445039 /nfs/dbraw/zinc/44/50/39/650445039.db2.gz HEBGWRGNKSGMKJ-HUUCEWRRSA-N -1 1 375.874 1.913 20 0 GDADMM CN(CC(C)(CO)CO)C(=O)c1ccc(I)c([O-])c1 ZINC000544881115 650447754 /nfs/dbraw/zinc/44/77/54/650447754.db2.gz AFBPPODJQVKPOG-UHFFFAOYSA-N -1 1 379.194 1.060 20 0 GDADMM CCOC(=O)[C@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)[C@H]1CCO[C@H]1C ZINC000546767802 650485449 /nfs/dbraw/zinc/48/54/49/650485449.db2.gz WTJPZEVEBOBPTG-CQDKDKBSSA-N -1 1 375.874 1.911 20 0 GDADMM O=C(NCCNc1cccc(Br)c1)c1cc(=O)n2[n-]cnc2n1 ZINC000546829455 650487611 /nfs/dbraw/zinc/48/76/11/650487611.db2.gz VTAWTZOLWJQNMA-UHFFFAOYSA-N -1 1 377.202 1.022 20 0 GDADMM NC(=O)c1cc(CNC(=O)c2ccc(I)c([O-])c2)on1 ZINC000546871756 650488429 /nfs/dbraw/zinc/48/84/29/650488429.db2.gz DFMVXWQMVAMDAI-UHFFFAOYSA-N -1 1 387.133 1.014 20 0 GDADMM O=C([O-])[C@@H](Cc1cnc[nH]1)NS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000547558958 650502862 /nfs/dbraw/zinc/50/28/62/650502862.db2.gz QZASVBBXRQNYBF-LLVKDONJSA-N -1 1 381.307 1.542 20 0 GDADMM COC(=O)c1ncsc1S(=O)(=O)NC[C@@]1(CC(=O)[O-])CC[C@@H](C)C1 ZINC000547561912 650503016 /nfs/dbraw/zinc/50/30/16/650503016.db2.gz XKHCSTQTXHWJEZ-OTYXRUKQSA-N -1 1 376.456 1.489 20 0 GDADMM O=C([O-])CCC[NH+]1CCC([N-]S(=O)(=O)c2ccc(Br)o2)CC1 ZINC000548208649 650535751 /nfs/dbraw/zinc/53/57/51/650535751.db2.gz YEXURCMZKMDRSJ-UHFFFAOYSA-N -1 1 395.275 1.650 20 0 GDADMM COc1cc(Cl)c(S(=O)(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cc1Cl ZINC000548527630 650547989 /nfs/dbraw/zinc/54/79/89/650547989.db2.gz SEBWOGZETRZFHI-JTQLQIEISA-N -1 1 394.236 1.699 20 0 GDADMM O=C([O-])[C@H]1[C@H]2CCCN2CCN1S(=O)(=O)c1cc(Cl)sc1Cl ZINC000551915819 650615498 /nfs/dbraw/zinc/61/54/98/650615498.db2.gz ZGUOHJULWMINTF-GMSGAONNSA-N -1 1 385.294 1.977 20 0 GDADMM O=C(CNC(=O)c1ccc(Cl)cc1Cl)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000551925643 650615587 /nfs/dbraw/zinc/61/55/87/650615587.db2.gz XHADLKOYRBTYIW-VIFPVBQESA-N -1 1 383.239 1.643 20 0 GDADMM O=C([O-])C[C@@H](CNS(=O)(=O)c1ccc(Br)o1)C(F)(F)F ZINC000551995531 650616219 /nfs/dbraw/zinc/61/62/19/650616219.db2.gz SJWQSHZGWYWXOK-YFKPBYRVSA-N -1 1 380.138 1.974 20 0 GDADMM Cc1cnc(C(=O)NC[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)c([O-])c1 ZINC000553059819 650637088 /nfs/dbraw/zinc/63/70/88/650637088.db2.gz RRXYTJFCFFYUCU-LBPRGKRZSA-N -1 1 381.479 1.598 20 0 GDADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2CC(F)F)o1 ZINC000553312236 650642513 /nfs/dbraw/zinc/64/25/13/650642513.db2.gz XOKMCQSJBSIVDO-SNVBAGLBSA-N -1 1 380.413 1.853 20 0 GDADMM COc1cc(NC(=O)N2CC[C@H](OC(F)F)C2)ccc1[N-]S(C)(=O)=O ZINC000554909280 650683230 /nfs/dbraw/zinc/68/32/30/650683230.db2.gz BTDYCPJHFNPAQA-JTQLQIEISA-N -1 1 379.385 1.912 20 0 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20 0 GDADMM CCc1ncsc1C(=O)N1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C[C@H]1C ZINC001571262787 945441182 /nfs/dbraw/zinc/44/11/82/945441182.db2.gz XXBMRLJDFYLZGO-ZJUUUORDSA-N -1 1 385.457 1.391 20 0 GDADMM Cc1ncc(C(=O)N2CC[C@H]([C@@H](C)Nc3cnc(-c4nnn[n-]4)cn3)C2)s1 ZINC001571263136 945452217 /nfs/dbraw/zinc/45/22/17/945452217.db2.gz IKPQKCXUGUITBE-KOLCDFICSA-N -1 1 385.457 1.384 20 0 GDADMM Cc1ncc(C(=O)N2CC[C@H]([C@@H](C)Nc3cnc(-c4nn[n-]n4)cn3)C2)s1 ZINC001571263136 945452227 /nfs/dbraw/zinc/45/22/27/945452227.db2.gz IKPQKCXUGUITBE-KOLCDFICSA-N -1 1 385.457 1.384 20 0 GDADMM O=C(c1cscn1)N1CCCC[C@@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001571263608 945463331 /nfs/dbraw/zinc/46/33/31/945463331.db2.gz UWVJMMGREHMUCM-LLVKDONJSA-N -1 1 385.457 1.610 20 0 GDADMM O=C(c1cscn1)N1CCCC[C@@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001571263608 945463334 /nfs/dbraw/zinc/46/33/34/945463334.db2.gz UWVJMMGREHMUCM-LLVKDONJSA-N -1 1 385.457 1.610 20 0 GDADMM CC1(C)CN=C(N2CCN(c3c4ccccc4nnc3-c3nnn[n-]3)CC2)S1 ZINC000820607783 945499393 /nfs/dbraw/zinc/49/93/93/945499393.db2.gz ZJTWXFPLICXESX-UHFFFAOYSA-N -1 1 395.496 1.813 20 0 GDADMM CC1(C)CN=C(N2CCN(c3c4ccccc4nnc3-c3nn[n-]n3)CC2)S1 ZINC000820607783 945499397 /nfs/dbraw/zinc/49/93/97/945499397.db2.gz ZJTWXFPLICXESX-UHFFFAOYSA-N -1 1 395.496 1.813 20 0 GDADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)c2ccncc2Cl)C1 ZINC001571265119 945499591 /nfs/dbraw/zinc/49/95/91/945499591.db2.gz DGNGCPVEDKCNBA-SNVBAGLBSA-N -1 1 385.819 1.056 20 0 GDADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)c2ccncc2Cl)C1 ZINC001571265119 945499597 /nfs/dbraw/zinc/49/95/97/945499597.db2.gz DGNGCPVEDKCNBA-SNVBAGLBSA-N -1 1 385.819 1.056 20 0 GDADMM CO[C@H](C(=O)N1CC[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1)C(C)C ZINC001571265852 945524786 /nfs/dbraw/zinc/52/47/86/945524786.db2.gz QREKZMWTGUBJCA-IUCAKERBSA-N -1 1 385.881 1.660 20 0 GDADMM CO[C@H](C(=O)N1CC[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1)C(C)C ZINC001571265852 945524789 /nfs/dbraw/zinc/52/47/89/945524789.db2.gz QREKZMWTGUBJCA-IUCAKERBSA-N -1 1 385.881 1.660 20 0 GDADMM COCC(=O)N1CC[C@@H](C)C[C@H]1CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001571266345 945540162 /nfs/dbraw/zinc/54/01/62/945540162.db2.gz ZWPLIHAIMZQCFL-BDAKNGLRSA-N -1 1 385.881 1.662 20 0 GDADMM COCC(=O)N1CC[C@@H](C)C[C@H]1CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001571266345 945540169 /nfs/dbraw/zinc/54/01/69/945540169.db2.gz ZWPLIHAIMZQCFL-BDAKNGLRSA-N -1 1 385.881 1.662 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cccc(C(F)F)c1 ZINC001571267083 945560511 /nfs/dbraw/zinc/56/05/11/945560511.db2.gz IUAMQVGCBFBFNI-HAQNSBGRSA-N -1 1 386.366 1.967 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cccc(C(F)F)c1 ZINC001571267083 945560528 /nfs/dbraw/zinc/56/05/28/945560528.db2.gz IUAMQVGCBFBFNI-HAQNSBGRSA-N -1 1 386.366 1.967 20 0 GDADMM O=C(N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)nn1)C1(CF)CCC1 ZINC001571269388 945619370 /nfs/dbraw/zinc/61/93/70/945619370.db2.gz XGRNKUNFELFHJT-KGLIPLIRSA-N -1 1 386.435 1.366 20 0 GDADMM O=C(N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)nn1)C1(CF)CCC1 ZINC001571269388 945619378 /nfs/dbraw/zinc/61/93/78/945619378.db2.gz XGRNKUNFELFHJT-KGLIPLIRSA-N -1 1 386.435 1.366 20 0 GDADMM Cc1nsc(N2CC[C@@H](NC(=O)c3ocnc3C3CC3)C2)c1-c1nn[n-]n1 ZINC001571269953 945627036 /nfs/dbraw/zinc/62/70/36/945627036.db2.gz ISLMPOAHZFEQOC-SNVBAGLBSA-N -1 1 386.441 1.506 20 0 GDADMM Cc1nsc(N2CCC[C@@H](NC(=O)c3ccn(C)c3)[C@@H]2C)c1-c1nn[n-]n1 ZINC001571271768 945650263 /nfs/dbraw/zinc/65/02/63/945650263.db2.gz IZURBCYPNAISPO-WCQYABFASA-N -1 1 386.485 1.757 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)C[C@@H]3CCCCO3)C2)cc(-c2nnn[n-]2)n1 ZINC001571272810 945672173 /nfs/dbraw/zinc/67/21/73/945672173.db2.gz ITDOQVGEVYBCIM-OLZOCXBDSA-N -1 1 386.460 1.191 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)C[C@@H]3CCCCO3)C2)cc(-c2nn[n-]n2)n1 ZINC001571272810 945672182 /nfs/dbraw/zinc/67/21/82/945672182.db2.gz ITDOQVGEVYBCIM-OLZOCXBDSA-N -1 1 386.460 1.191 20 0 GDADMM O=C(CC[C@H]1CCOC1)N1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571273067 945677855 /nfs/dbraw/zinc/67/78/55/945677855.db2.gz OKZWOVDONCMARW-KBPBESRZSA-N -1 1 386.460 1.124 20 0 GDADMM O=C(CC[C@H]1CCOC1)N1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571273067 945677859 /nfs/dbraw/zinc/67/78/59/945677859.db2.gz OKZWOVDONCMARW-KBPBESRZSA-N -1 1 386.460 1.124 20 0 GDADMM O=C(CC1(O)CCC1)N1CCCC[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001571273185 945680910 /nfs/dbraw/zinc/68/09/10/945680910.db2.gz SAHLPTSIHPPYMR-ZDUSSCGKSA-N -1 1 386.460 1.145 20 0 GDADMM O=C(CC1(O)CCC1)N1CCCC[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001571273185 945680917 /nfs/dbraw/zinc/68/09/17/945680917.db2.gz SAHLPTSIHPPYMR-ZDUSSCGKSA-N -1 1 386.460 1.145 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCC1CCOCC1 ZINC001571275740 945713444 /nfs/dbraw/zinc/71/34/44/945713444.db2.gz BQQFBIIHZOPCFX-OCCSQVGLSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCC1CCOCC1 ZINC001571275740 945713448 /nfs/dbraw/zinc/71/34/48/945713448.db2.gz BQQFBIIHZOPCFX-OCCSQVGLSA-N -1 1 386.460 1.265 20 0 GDADMM CC[C@@H](OC1CCCC1)C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571275891 945719062 /nfs/dbraw/zinc/71/90/62/945719062.db2.gz FBXLYBQHJVPJLY-GXTWGEPZSA-N -1 1 386.460 1.407 20 0 GDADMM CC[C@@H](OC1CCCC1)C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571275891 945719068 /nfs/dbraw/zinc/71/90/68/945719068.db2.gz FBXLYBQHJVPJLY-GXTWGEPZSA-N -1 1 386.460 1.407 20 0 GDADMM CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1 ZINC000821588600 945728117 /nfs/dbraw/zinc/72/81/17/945728117.db2.gz ZVWPPSCRGQSCPF-UHFFFAOYSA-N -1 1 388.409 1.075 20 0 GDADMM C[C@H]1C[C@@H](C(=O)N[C@H]2CC[C@H](CNc3cncc(-c4nnn[n-]4)n3)CC2)CO1 ZINC001571276596 945731855 /nfs/dbraw/zinc/73/18/55/945731855.db2.gz JKSNXGKOBOVCEL-FQUUOJAGSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@H]1C[C@@H](C(=O)N[C@H]2CC[C@H](CNc3cncc(-c4nn[n-]n4)n3)CC2)CO1 ZINC001571276596 945731856 /nfs/dbraw/zinc/73/18/56/945731856.db2.gz JKSNXGKOBOVCEL-FQUUOJAGSA-N -1 1 386.460 1.169 20 0 GDADMM CCS(=O)(=O)N(C)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC001571277667 945745452 /nfs/dbraw/zinc/74/54/52/945745452.db2.gz RMXVNTDBAACVSU-UHFFFAOYSA-N -1 1 387.425 1.300 20 0 GDADMM CCS(=O)(=O)N(C)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC001571277667 945745457 /nfs/dbraw/zinc/74/54/57/945745457.db2.gz RMXVNTDBAACVSU-UHFFFAOYSA-N -1 1 387.425 1.300 20 0 GDADMM CCC1(C(=O)N2CCO[C@@H]([C@@H](C)Nc3cncc(-c4nnn[n-]4)n3)C2)CCC1 ZINC001571278481 945752608 /nfs/dbraw/zinc/75/26/08/945752608.db2.gz NXQIQHXBQABPBY-TZMCWYRMSA-N -1 1 386.460 1.265 20 0 GDADMM CCC1(C(=O)N2CCO[C@@H]([C@@H](C)Nc3cncc(-c4nn[n-]n4)n3)C2)CCC1 ZINC001571278481 945752614 /nfs/dbraw/zinc/75/26/14/945752614.db2.gz NXQIQHXBQABPBY-TZMCWYRMSA-N -1 1 386.460 1.265 20 0 GDADMM CC[C@@H]1CCO[C@@H]1C(=O)N1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571278523 945755513 /nfs/dbraw/zinc/75/55/13/945755513.db2.gz OYXAEWAGCLPCGD-WWGRRREGSA-N -1 1 386.460 1.265 20 0 GDADMM CC[C@@H]1CCO[C@@H]1C(=O)N1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571278523 945755514 /nfs/dbraw/zinc/75/55/14/945755514.db2.gz OYXAEWAGCLPCGD-WWGRRREGSA-N -1 1 386.460 1.265 20 0 GDADMM CC(=O)N1CCC([C@H]2OCCC[C@@H]2Nc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001571278627 945756424 /nfs/dbraw/zinc/75/64/24/945756424.db2.gz POOSOZMHAHELRP-GOEBONIOSA-N -1 1 386.460 1.183 20 0 GDADMM CC(=O)N1CCC([C@H]2OCCC[C@@H]2Nc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001571278627 945756432 /nfs/dbraw/zinc/75/64/32/945756432.db2.gz POOSOZMHAHELRP-GOEBONIOSA-N -1 1 386.460 1.183 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)[C@H]1CCCCO1 ZINC001571279644 945784308 /nfs/dbraw/zinc/78/43/08/945784308.db2.gz XIYZTDMFTQTIOG-QWHCGFSZSA-N -1 1 386.460 1.265 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)[C@H]1CCCCO1 ZINC001571279644 945784318 /nfs/dbraw/zinc/78/43/18/945784318.db2.gz XIYZTDMFTQTIOG-QWHCGFSZSA-N -1 1 386.460 1.265 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)[C@@H]1CCCCO1 ZINC001571279643 945784908 /nfs/dbraw/zinc/78/49/08/945784908.db2.gz XIYZTDMFTQTIOG-OLZOCXBDSA-N -1 1 386.460 1.265 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)[C@@H]1CCCCO1 ZINC001571279643 945784917 /nfs/dbraw/zinc/78/49/17/945784917.db2.gz XIYZTDMFTQTIOG-OLZOCXBDSA-N -1 1 386.460 1.265 20 0 GDADMM CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(c1nccnc1-c1nnn[n-]1)C2 ZINC001571279652 945784954 /nfs/dbraw/zinc/78/49/54/945784954.db2.gz XPUSQTHPSCHSEH-SGTLLEGYSA-N -1 1 386.460 1.788 20 0 GDADMM CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(c1nccnc1-c1nn[n-]n1)C2 ZINC001571279652 945784961 /nfs/dbraw/zinc/78/49/61/945784961.db2.gz XPUSQTHPSCHSEH-SGTLLEGYSA-N -1 1 386.460 1.788 20 0 GDADMM C[C@]1(C(=O)N[C@@H]2CCCC[C@H]2Nc2cnc(-c3nnn[n-]3)cn2)CCCOC1 ZINC001571279989 945793818 /nfs/dbraw/zinc/79/38/18/945793818.db2.gz YQMQHGCDLCWHAG-VFVRVIDISA-N -1 1 386.460 1.313 20 0 GDADMM C[C@]1(C(=O)N[C@@H]2CCCC[C@H]2Nc2cnc(-c3nn[n-]n3)cn2)CCCOC1 ZINC001571279989 945793825 /nfs/dbraw/zinc/79/38/25/945793825.db2.gz YQMQHGCDLCWHAG-VFVRVIDISA-N -1 1 386.460 1.313 20 0 GDADMM CC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573450321 945821039 /nfs/dbraw/zinc/82/10/39/945821039.db2.gz DFXBKZGBFMIULU-LSDHHAIUSA-N -1 1 382.403 1.612 20 0 GDADMM CC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573450321 945821048 /nfs/dbraw/zinc/82/10/48/945821048.db2.gz DFXBKZGBFMIULU-LSDHHAIUSA-N -1 1 382.403 1.612 20 0 GDADMM Cc1nsc(N2CCC[C@H](NC(=O)Cc3ccoc3)[C@H]2C)c1-c1nn[n-]n1 ZINC001571282404 945843629 /nfs/dbraw/zinc/84/36/29/945843629.db2.gz XNOHTHFHULWBER-YPMHNXCESA-N -1 1 387.469 1.941 20 0 GDADMM CCn1cc(Cl)cc1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571283549 945885353 /nfs/dbraw/zinc/88/53/53/945885353.db2.gz GFWGERKNCPTNFI-NSHDSACASA-N -1 1 387.835 1.140 20 0 GDADMM C[C@H]1CC[C@H](NC(=O)c2ccc(Cl)[nH]2)CN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571285059 945911338 /nfs/dbraw/zinc/91/13/38/945911338.db2.gz XSOKTIATMJNFPV-UWVGGRQHSA-N -1 1 387.835 1.426 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1ccc(C(N)=O)cc1F ZINC000822010118 945919723 /nfs/dbraw/zinc/91/97/23/945919723.db2.gz OLQHULPAFGALDI-UHFFFAOYSA-N -1 1 399.386 1.393 20 0 GDADMM COCC(=O)Nc1ccc(NC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)cc1 ZINC001571285543 945919787 /nfs/dbraw/zinc/91/97/87/945919787.db2.gz HXCVSHYNLDYBBI-UHFFFAOYSA-N -1 1 388.334 1.982 20 0 GDADMM COCC(=O)Nc1ccc(NC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)cc1 ZINC001571285543 945919801 /nfs/dbraw/zinc/91/98/01/945919801.db2.gz HXCVSHYNLDYBBI-UHFFFAOYSA-N -1 1 388.334 1.982 20 0 GDADMM O=C(NC[C@@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1)c1cc(Cl)c[nH]1 ZINC001571286173 945939949 /nfs/dbraw/zinc/93/99/49/945939949.db2.gz ZZCADFKMSYONSL-NSHDSACASA-N -1 1 387.835 1.427 20 0 GDADMM O=C(NC[C@@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1)c1cc(Cl)c[nH]1 ZINC001571286173 945939959 /nfs/dbraw/zinc/93/99/59/945939959.db2.gz ZZCADFKMSYONSL-NSHDSACASA-N -1 1 387.835 1.427 20 0 GDADMM O=C(c1sccc1F)N1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571288227 945983415 /nfs/dbraw/zinc/98/34/15/945983415.db2.gz MTHURRZWNBRKEZ-JTQLQIEISA-N -1 1 388.432 1.964 20 0 GDADMM O=C(c1sccc1F)N1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571288227 945983424 /nfs/dbraw/zinc/98/34/24/945983424.db2.gz MTHURRZWNBRKEZ-JTQLQIEISA-N -1 1 388.432 1.964 20 0 GDADMM C[C@H](Nc1nccnc1-c1nnn[n-]1)C1CCN(C(=O)C2(CF)CCC2)CC1 ZINC001571288290 945986798 /nfs/dbraw/zinc/98/67/98/945986798.db2.gz NLVJYWDAIORGFA-LBPRGKRZSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)C1CCN(C(=O)C2(CF)CCC2)CC1 ZINC001571288290 945986803 /nfs/dbraw/zinc/98/68/03/945986803.db2.gz NLVJYWDAIORGFA-LBPRGKRZSA-N -1 1 388.451 1.836 20 0 GDADMM CC(C)(F)C(=O)N1CCC([C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001571288551 945987976 /nfs/dbraw/zinc/98/79/76/945987976.db2.gz QKMHDSGVZVBRRJ-CYBMUJFWSA-N -1 1 388.451 1.470 20 0 GDADMM CC(C)(F)C(=O)N1CCC([C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001571288551 945987977 /nfs/dbraw/zinc/98/79/77/945987977.db2.gz QKMHDSGVZVBRRJ-CYBMUJFWSA-N -1 1 388.451 1.470 20 0 GDADMM O=C(c1cccc2c1CCC2)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1 ZINC001571289326 946000106 /nfs/dbraw/zinc/00/01/06/946000106.db2.gz ZREPCCSSJZYKHF-KBPBESRZSA-N -1 1 388.435 1.249 20 0 GDADMM O=C(N1CC[C@@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1)C1(F)CCCCC1 ZINC001571289659 946016216 /nfs/dbraw/zinc/01/62/16/946016216.db2.gz JNOVHPULKLVDEH-CYBMUJFWSA-N -1 1 388.451 1.402 20 0 GDADMM O=C(NC[C@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1)[C@@H]1CC12CCC2 ZINC001571289954 946024087 /nfs/dbraw/zinc/02/40/87/946024087.db2.gz QQWLPCNLUQSUBZ-JSGCOSHPSA-N -1 1 388.497 1.435 20 0 GDADMM CN(C[C@@H]1CCCN(C(=O)C2(F)CCCC2)C1)c1cncc(-c2nnn[n-]2)n1 ZINC001571290214 946036557 /nfs/dbraw/zinc/03/65/57/946036557.db2.gz XRUVUYOTQKCOCV-ZDUSSCGKSA-N -1 1 388.451 1.614 20 0 GDADMM CN(C[C@@H]1CCCN(C(=O)C2(F)CCCC2)C1)c1cncc(-c2nn[n-]n2)n1 ZINC001571290214 946036570 /nfs/dbraw/zinc/03/65/70/946036570.db2.gz XRUVUYOTQKCOCV-ZDUSSCGKSA-N -1 1 388.451 1.614 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@](C)(NC(=O)c3occc3Cl)C2)n1 ZINC001571290612 946048114 /nfs/dbraw/zinc/04/81/14/946048114.db2.gz KEWXCDVGXDJPDU-MRXNPFEDSA-N -1 1 388.819 1.610 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@](C)(NC(=O)c3occc3Cl)C2)n1 ZINC001571290612 946048127 /nfs/dbraw/zinc/04/81/27/946048127.db2.gz KEWXCDVGXDJPDU-MRXNPFEDSA-N -1 1 388.819 1.610 20 0 GDADMM CS[C@@H](C)C(=O)N1C[C@@]2(C)CN(c3cncc(-c4nnn[n-]4)n3)C[C@@]2(C)C1 ZINC001571290604 946048782 /nfs/dbraw/zinc/04/87/82/946048782.db2.gz JWRAKLNMKFNXCQ-MZPVMMEZSA-N -1 1 388.501 1.083 20 0 GDADMM CS[C@@H](C)C(=O)N1C[C@@]2(C)CN(c3cncc(-c4nn[n-]n4)n3)C[C@@]2(C)C1 ZINC001571290604 946048795 /nfs/dbraw/zinc/04/87/95/946048795.db2.gz JWRAKLNMKFNXCQ-MZPVMMEZSA-N -1 1 388.501 1.083 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)c2ccoc2Cl)C1)c1nccnc1-c1nnn[n-]1 ZINC001571290772 946053055 /nfs/dbraw/zinc/05/30/55/946053055.db2.gz OKGXJGIMBXIXHT-JTQLQIEISA-N -1 1 388.819 1.502 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)c2ccoc2Cl)C1)c1nccnc1-c1nn[n-]n1 ZINC001571290772 946053069 /nfs/dbraw/zinc/05/30/69/946053069.db2.gz OKGXJGIMBXIXHT-JTQLQIEISA-N -1 1 388.819 1.502 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2C[C@H](NC(=O)c3occc3Cl)C2)n1 ZINC001571291026 946066148 /nfs/dbraw/zinc/06/61/48/946066148.db2.gz YHCVQNILKWIHJZ-MGCOHNPYSA-N -1 1 388.819 1.832 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2C[C@H](NC(=O)c3occc3Cl)C2)n1 ZINC001571291026 946066150 /nfs/dbraw/zinc/06/61/50/946066150.db2.gz YHCVQNILKWIHJZ-MGCOHNPYSA-N -1 1 388.819 1.832 20 0 GDADMM COC(=O)[C@@H](NC(=O)c1csc(-c2nn[n-]n2)c1)c1ccc(OC)c(O)c1 ZINC001571292407 946096781 /nfs/dbraw/zinc/09/67/81/946096781.db2.gz YZDANORGXMAISD-ZDUSSCGKSA-N -1 1 389.393 1.287 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1c(F)cc(F)cc1F ZINC001571294222 946130082 /nfs/dbraw/zinc/13/00/82/946130082.db2.gz BHXQOWDRTZREPA-DTORHVGOSA-N -1 1 390.329 1.447 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1c(F)cc(F)cc1F ZINC001571294222 946130087 /nfs/dbraw/zinc/13/00/87/946130087.db2.gz BHXQOWDRTZREPA-DTORHVGOSA-N -1 1 390.329 1.447 20 0 GDADMM Cc1cc(C(F)F)oc1C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571294263 946130589 /nfs/dbraw/zinc/13/05/89/946130589.db2.gz CRRVRTKUBDTUCG-VIFPVBQESA-N -1 1 390.354 1.822 20 0 GDADMM Cc1cc(C(F)F)oc1C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571294263 946130594 /nfs/dbraw/zinc/13/05/94/946130594.db2.gz CRRVRTKUBDTUCG-VIFPVBQESA-N -1 1 390.354 1.822 20 0 GDADMM CSc1nc(CNC(=O)CSc2ccc(-c3nn[nH]n3)cc2)cc(=O)[n-]1 ZINC001571294748 946143420 /nfs/dbraw/zinc/14/34/20/946143420.db2.gz LVIWCOWHZXKCAI-UHFFFAOYSA-N -1 1 389.466 1.493 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1)[C@H]1CC1(F)F ZINC001571295282 946159506 /nfs/dbraw/zinc/15/95/06/946159506.db2.gz WAZLYRAQELDCBQ-DSYKOEDSSA-N -1 1 389.819 1.939 20 0 GDADMM O=C(c1ccc(C2CC2)cc1)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571297962 946200429 /nfs/dbraw/zinc/20/04/29/946200429.db2.gz FQPHNXCJLWAJNO-INIZCTEOSA-N -1 1 390.451 1.673 20 0 GDADMM CC1CC(C(=O)NCc2ccc3c(c2)CN(c2ccc(-c4nnn[n-]4)nn2)C3)C1 ZINC001571298184 946208135 /nfs/dbraw/zinc/20/81/35/946208135.db2.gz BMYNFFRHOVIDCC-UHFFFAOYSA-N -1 1 390.451 1.839 20 0 GDADMM CC1CC(C(=O)NCc2ccc3c(c2)CN(c2ccc(-c4nn[n-]n4)nn2)C3)C1 ZINC001571298184 946208151 /nfs/dbraw/zinc/20/81/51/946208151.db2.gz BMYNFFRHOVIDCC-UHFFFAOYSA-N -1 1 390.451 1.839 20 0 GDADMM Cc1nsc(NC[C@@H]2CN(C(=O)c3ccsn3)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571298450 946215814 /nfs/dbraw/zinc/21/58/14/946215814.db2.gz OFAHJKXAWKQPDU-PSASIEDQSA-N -1 1 390.498 1.908 20 0 GDADMM Cc1nsc(NC[C@H]2CN(C(=O)c3ccsn3)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571298451 946217085 /nfs/dbraw/zinc/21/70/85/946217085.db2.gz OFAHJKXAWKQPDU-SCZZXKLOSA-N -1 1 390.498 1.908 20 0 GDADMM Cc1nc(NC[C@@]2(C)CN(C(=O)OC(C)(C)C)CCO2)cc(-c2nnn[n-]2)n1 ZINC001571298961 946236152 /nfs/dbraw/zinc/23/61/52/946236152.db2.gz MLEOOFZEEVYFOI-KRWDZBQOSA-N -1 1 390.448 1.403 20 0 GDADMM Cc1nc(NC[C@@]2(C)CN(C(=O)OC(C)(C)C)CCO2)cc(-c2nn[n-]n2)n1 ZINC001571298961 946236162 /nfs/dbraw/zinc/23/61/62/946236162.db2.gz MLEOOFZEEVYFOI-KRWDZBQOSA-N -1 1 390.448 1.403 20 0 GDADMM CN(C(=O)c1cccc2c1CCC2)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571298958 946236291 /nfs/dbraw/zinc/23/62/91/946236291.db2.gz MJLXUWJDLMAGBP-CQSZACIVSA-N -1 1 390.451 1.496 20 0 GDADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC001571299056 946237295 /nfs/dbraw/zinc/23/72/95/946237295.db2.gz IAPGATNCFBDEBQ-SSDOTTSWSA-N -1 1 390.766 1.374 20 0 GDADMM O=C(NC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccc2c(c1)CCC2 ZINC001571299050 946238351 /nfs/dbraw/zinc/23/83/51/946238351.db2.gz TWVWAXLZUIPRAT-ZDUSSCGKSA-N -1 1 390.451 1.402 20 0 GDADMM O=C(NC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccc2c(c1)CCC2 ZINC001571299050 946238361 /nfs/dbraw/zinc/23/83/61/946238361.db2.gz TWVWAXLZUIPRAT-ZDUSSCGKSA-N -1 1 390.451 1.402 20 0 GDADMM O=C(N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)c1ccc(Cl)s1 ZINC001571299052 946239111 /nfs/dbraw/zinc/23/91/11/946239111.db2.gz HYUURIDOPMDTDJ-VIFPVBQESA-N -1 1 390.860 1.770 20 0 GDADMM O=C(N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)c1ccc(Cl)s1 ZINC001571299052 946239128 /nfs/dbraw/zinc/23/91/28/946239128.db2.gz HYUURIDOPMDTDJ-VIFPVBQESA-N -1 1 390.860 1.770 20 0 GDADMM O=C(c1sccc1Cl)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571299350 946248294 /nfs/dbraw/zinc/24/82/94/946248294.db2.gz LKPBCQXHFNIHNF-SECBINFHSA-N -1 1 390.860 1.510 20 0 GDADMM Cc1ccncc1C(=O)N1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)CC1 ZINC001571299636 946255403 /nfs/dbraw/zinc/25/54/03/946255403.db2.gz OBNBTCYJRMUYEK-UHFFFAOYSA-N -1 1 390.860 1.642 20 0 GDADMM Cc1ccncc1C(=O)N1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)CC1 ZINC001571299636 946255409 /nfs/dbraw/zinc/25/54/09/946255409.db2.gz OBNBTCYJRMUYEK-UHFFFAOYSA-N -1 1 390.860 1.642 20 0 GDADMM C[C@@]1(NC(=O)c2cccnc2)CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571299633 946256981 /nfs/dbraw/zinc/25/69/81/946256981.db2.gz NVDLZNWGFUHTOU-OAHLLOKOSA-N -1 1 390.860 1.770 20 0 GDADMM C[C@@]1(NC(=O)c2cccnc2)CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571299633 946256987 /nfs/dbraw/zinc/25/69/87/946256987.db2.gz NVDLZNWGFUHTOU-OAHLLOKOSA-N -1 1 390.860 1.770 20 0 GDADMM O=C(NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)c1sccc1Cl ZINC001571299876 946263704 /nfs/dbraw/zinc/26/37/04/946263704.db2.gz QBPLPLMWASOKKW-SECBINFHSA-N -1 1 390.860 1.770 20 0 GDADMM O=C(NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)c1sccc1Cl ZINC001571299876 946263714 /nfs/dbraw/zinc/26/37/14/946263714.db2.gz QBPLPLMWASOKKW-SECBINFHSA-N -1 1 390.860 1.770 20 0 GDADMM Cc1csc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)CC2)c1Cl ZINC001571300125 946273032 /nfs/dbraw/zinc/27/30/32/946273032.db2.gz VJZZLRDDZFPGIW-UHFFFAOYSA-N -1 1 390.860 1.642 20 0 GDADMM Cc1csc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)CC2)c1Cl ZINC001571300125 946273042 /nfs/dbraw/zinc/27/30/42/946273042.db2.gz VJZZLRDDZFPGIW-UHFFFAOYSA-N -1 1 390.860 1.642 20 0 GDADMM O=C(NC[C@H]1CCCN1c1snc(Cl)c1-c1nnn[n-]1)c1ccccn1 ZINC001571300258 946276753 /nfs/dbraw/zinc/27/67/53/946276753.db2.gz XXBVKFWKEPRANZ-SECBINFHSA-N -1 1 390.860 1.770 20 0 GDADMM O=C(NC[C@H]1CCCN1c1snc(Cl)c1-c1nn[n-]n1)c1ccccn1 ZINC001571300258 946276765 /nfs/dbraw/zinc/27/67/65/946276765.db2.gz XXBVKFWKEPRANZ-SECBINFHSA-N -1 1 390.860 1.770 20 0 GDADMM O=C([C@@H]1C[C@H]1c1ccncc1)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571302557 946307717 /nfs/dbraw/zinc/30/77/17/946307717.db2.gz BEWDNMJRNJOIBZ-VHDGCEQUSA-N -1 1 391.439 1.116 20 0 GDADMM O=C([C@@H]1C[C@H]1c1ccncc1)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571302557 946307727 /nfs/dbraw/zinc/30/77/27/946307727.db2.gz BEWDNMJRNJOIBZ-VHDGCEQUSA-N -1 1 391.439 1.116 20 0 GDADMM Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2cnc(-c3nnn[n-]3)cn2)cn1 ZINC001571302649 946309596 /nfs/dbraw/zinc/30/95/96/946309596.db2.gz DMHFTYPYKZEVMC-GASCZTMLSA-N -1 1 391.439 1.244 20 0 GDADMM Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2cnc(-c3nn[n-]n3)cn2)cn1 ZINC001571302649 946309604 /nfs/dbraw/zinc/30/96/04/946309604.db2.gz DMHFTYPYKZEVMC-GASCZTMLSA-N -1 1 391.439 1.244 20 0 GDADMM CC(=O)N[C@@H]1C[C@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)Oc2ccccc21 ZINC001573496239 946322238 /nfs/dbraw/zinc/32/22/38/946322238.db2.gz XPPRGNSLQNYNOG-KUHUBIRLSA-N -1 1 392.423 1.266 20 0 GDADMM CC(=O)N[C@@H]1C[C@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)Oc2ccccc21 ZINC001573496239 946322249 /nfs/dbraw/zinc/32/22/49/946322249.db2.gz XPPRGNSLQNYNOG-KUHUBIRLSA-N -1 1 392.423 1.266 20 0 GDADMM Cc1cnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nnn[n-]3)n2)c(C)c1 ZINC001571303383 946334836 /nfs/dbraw/zinc/33/48/36/946334836.db2.gz PQPROVMZZCXNQW-NFAWXSAZSA-N -1 1 391.439 1.208 20 0 GDADMM Cc1cnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nn[n-]n3)n2)c(C)c1 ZINC001571303383 946334846 /nfs/dbraw/zinc/33/48/46/946334846.db2.gz PQPROVMZZCXNQW-NFAWXSAZSA-N -1 1 391.439 1.208 20 0 GDADMM Cc1cncc(C(=O)N[C@H]2CC23CCN(c2cncc(-c4nnn[n-]4)n2)CC3)c1 ZINC001571303409 946334997 /nfs/dbraw/zinc/33/49/97/946334997.db2.gz QHFVAQVNIUHGBZ-HNNXBMFYSA-N -1 1 391.439 1.149 20 0 GDADMM Cc1cncc(C(=O)N[C@H]2CC23CCN(c2cncc(-c4nn[n-]n4)n2)CC3)c1 ZINC001571303409 946335008 /nfs/dbraw/zinc/33/50/08/946335008.db2.gz QHFVAQVNIUHGBZ-HNNXBMFYSA-N -1 1 391.439 1.149 20 0 GDADMM Cc1nnccc1C(=O)N[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571305621 946370912 /nfs/dbraw/zinc/37/09/12/946370912.db2.gz HRDFRVUZGLXYCV-QMMMGPOBSA-N -1 1 391.848 1.084 20 0 GDADMM Cc1nnccc1C(=O)N[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571305621 946370922 /nfs/dbraw/zinc/37/09/22/946370922.db2.gz HRDFRVUZGLXYCV-QMMMGPOBSA-N -1 1 391.848 1.084 20 0 GDADMM Cc1nsc(N2CCC[C@H](NC(=O)c3cnns3)[C@H]2C)c1-c1nn[n-]n1 ZINC001571305686 946372853 /nfs/dbraw/zinc/37/28/53/946372853.db2.gz JJGLQJNCAXXHEG-BDAKNGLRSA-N -1 1 391.486 1.270 20 0 GDADMM Cc1nsc(N[C@]2(CO)CCCN(C(=O)[C@H]3CC3(C)C)C2)c1-c1nn[n-]n1 ZINC001571305882 946377684 /nfs/dbraw/zinc/37/76/84/946377684.db2.gz MVSTWHCLGVUEKW-PIGZYNQJSA-N -1 1 391.501 1.443 20 0 GDADMM CCOC1CC(C(=O)N2CCC[C@@H](Nc3snc(C)c3-c3nn[n-]n3)C2)C1 ZINC001571306360 946398234 /nfs/dbraw/zinc/39/82/34/946398234.db2.gz UDXKIZPXETWQLY-OTTFEQOBSA-N -1 1 391.501 1.850 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc(=O)n(-c2ccccc2)n1 ZINC000823294486 946406151 /nfs/dbraw/zinc/40/61/51/946406151.db2.gz CLTZYXWKJSYLFJ-UHFFFAOYSA-N -1 1 375.348 1.371 20 0 GDADMM Cc1nsc(N2CCC[C@H](NC(=O)[C@]3(C)CCOC3)CC2)c1-c1nn[n-]n1 ZINC001571306657 946407421 /nfs/dbraw/zinc/40/74/21/946407421.db2.gz ZFUMSMGGDKFYPE-YVEFUNNKSA-N -1 1 391.501 1.533 20 0 GDADMM Cc1nsc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCC[C@@H](F)C2)c1-c1nn[n-]n1 ZINC001571307000 946415097 /nfs/dbraw/zinc/41/50/97/946415097.db2.gz STHKRRCBMSMZMK-SSKLVLDBSA-N -1 1 391.476 1.711 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CCC2)CC[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571307596 946425563 /nfs/dbraw/zinc/42/55/63/946425563.db2.gz FXCNPGPTVCKZQX-QWRGUYRKSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CCC2)CC[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571307596 946425566 /nfs/dbraw/zinc/42/55/66/946425566.db2.gz FXCNPGPTVCKZQX-QWRGUYRKSA-N -1 1 392.414 1.741 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(F)(F)[C@H](CNC(=O)[C@H]3C[C@@H]3C)C2)n1 ZINC001571307844 946427156 /nfs/dbraw/zinc/42/71/56/946427156.db2.gz HSFVZGKACNPHTJ-WCQGTBRESA-N -1 1 392.414 1.199 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(F)(F)[C@H](CNC(=O)[C@H]3C[C@@H]3C)C2)n1 ZINC001571307844 946427162 /nfs/dbraw/zinc/42/71/62/946427162.db2.gz HSFVZGKACNPHTJ-WCQGTBRESA-N -1 1 392.414 1.199 20 0 GDADMM O=C(N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cscc1C(F)F ZINC001571308314 946431138 /nfs/dbraw/zinc/43/11/38/946431138.db2.gz OKPJQBQTMYWACI-MRVPVSSYSA-N -1 1 392.395 1.665 20 0 GDADMM O=C(N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cscc1C(F)F ZINC001571308314 946431145 /nfs/dbraw/zinc/43/11/45/946431145.db2.gz OKPJQBQTMYWACI-MRVPVSSYSA-N -1 1 392.395 1.665 20 0 GDADMM CC1(C(=O)N2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C(C)(C)C2)CC(F)(F)C1 ZINC001571309196 946442108 /nfs/dbraw/zinc/44/21/08/946442108.db2.gz XJVZLYIAENKTSA-SNVBAGLBSA-N -1 1 392.414 1.163 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCO[C@@H](c2ccco2)C1 ZINC000823600340 946451547 /nfs/dbraw/zinc/45/15/47/946451547.db2.gz GJRRDXBFWBKGSK-CQSZACIVSA-N -1 1 379.373 1.361 20 0 GDADMM COc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nnn[n-]3)n2)cc1 ZINC001571309839 946454490 /nfs/dbraw/zinc/45/44/90/946454490.db2.gz MGYZJOHEDZZLSV-XPKDYRNWSA-N -1 1 392.423 1.205 20 0 GDADMM COc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nn[n-]n3)n2)cc1 ZINC001571309839 946454493 /nfs/dbraw/zinc/45/44/93/946454493.db2.gz MGYZJOHEDZZLSV-XPKDYRNWSA-N -1 1 392.423 1.205 20 0 GDADMM C[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571313790 946533426 /nfs/dbraw/zinc/53/34/26/946533426.db2.gz WKBZJSNFCHYOPH-GOEBONIOSA-N -1 1 392.467 1.573 20 0 GDADMM C[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571313790 946533436 /nfs/dbraw/zinc/53/34/36/946533436.db2.gz WKBZJSNFCHYOPH-GOEBONIOSA-N -1 1 392.467 1.573 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)[C@@H](C)C2)cc1 ZINC001571314744 946541898 /nfs/dbraw/zinc/54/18/98/946541898.db2.gz BXACNZDBIXZKKX-HOCLYGCPSA-N -1 1 392.467 1.857 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)[C@@H](C)C2)cc1 ZINC001571314744 946541906 /nfs/dbraw/zinc/54/19/06/946541906.db2.gz BXACNZDBIXZKKX-HOCLYGCPSA-N -1 1 392.467 1.857 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@@H]2CCN(C(=O)Cc3ccccc3C)C2)n1 ZINC001571314684 946543285 /nfs/dbraw/zinc/54/32/85/946543285.db2.gz AAARZPBXXZYELJ-MRXNPFEDSA-N -1 1 392.467 1.553 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@@H]2CCN(C(=O)Cc3ccccc3C)C2)n1 ZINC001571314684 946543293 /nfs/dbraw/zinc/54/32/93/946543293.db2.gz AAARZPBXXZYELJ-MRXNPFEDSA-N -1 1 392.467 1.553 20 0 GDADMM Cc1cccc(C(=O)NC[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)c1C ZINC001571314757 946544349 /nfs/dbraw/zinc/54/43/49/946544349.db2.gz CFSOYHWNKFWPNY-HNNXBMFYSA-N -1 1 392.467 1.920 20 0 GDADMM Cc1cccc(C(=O)NC[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)c1C ZINC001571314757 946544364 /nfs/dbraw/zinc/54/43/64/946544364.db2.gz CFSOYHWNKFWPNY-HNNXBMFYSA-N -1 1 392.467 1.920 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)c(C)c1 ZINC001571315274 946550113 /nfs/dbraw/zinc/55/01/13/946550113.db2.gz IRAWCSILVVVBRE-OAHLLOKOSA-N -1 1 392.467 1.899 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)c(C)c1 ZINC001571315274 946550117 /nfs/dbraw/zinc/55/01/17/946550117.db2.gz IRAWCSILVVVBRE-OAHLLOKOSA-N -1 1 392.467 1.899 20 0 GDADMM Cc1cccc(C(=O)N2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C(C)(C)C2)c1C ZINC001571315443 946553337 /nfs/dbraw/zinc/55/33/37/946553337.db2.gz KXSPRIZBTYOQQV-OAHLLOKOSA-N -1 1 392.467 1.658 20 0 GDADMM Cc1ccc(CCC(=O)N2CCCN(c3cncc(-c4nnn[n-]4)n3)CC2)cc1 ZINC001571315835 946560350 /nfs/dbraw/zinc/56/03/50/946560350.db2.gz PAVQZTBASZMJGE-UHFFFAOYSA-N -1 1 392.467 1.637 20 0 GDADMM Cc1ccc(CCC(=O)N2CCCN(c3cncc(-c4nn[n-]n4)n3)CC2)cc1 ZINC001571315835 946560355 /nfs/dbraw/zinc/56/03/55/946560355.db2.gz PAVQZTBASZMJGE-UHFFFAOYSA-N -1 1 392.467 1.637 20 0 GDADMM Cc1ccc(C(C)(C)C(=O)N2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC001571316267 946570773 /nfs/dbraw/zinc/57/07/73/946570773.db2.gz XUOHFPBARGRXDS-UHFFFAOYSA-N -1 1 392.467 1.592 20 0 GDADMM Cc1ccc(C(C)(C)C(=O)N2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)cc1 ZINC001571316267 946570776 /nfs/dbraw/zinc/57/07/76/946570776.db2.gz XUOHFPBARGRXDS-UHFFFAOYSA-N -1 1 392.467 1.592 20 0 GDADMM Cc1ccccc1CCC(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001571316535 946578764 /nfs/dbraw/zinc/57/87/64/946578764.db2.gz FVKUFTXULVEFAP-HOCLYGCPSA-N -1 1 392.467 1.421 20 0 GDADMM O=C(c1cccc(=O)[nH]1)N1CC[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571317454 946611301 /nfs/dbraw/zinc/61/13/01/946611301.db2.gz IVALTOARUIVSIW-ZETCQYMHSA-N -1 1 392.832 1.404 20 0 GDADMM Cn1cccc1C(=O)N[C@@H]1CCCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571317751 946619765 /nfs/dbraw/zinc/61/97/65/946619765.db2.gz UFEPYKQSIODSPY-SECBINFHSA-N -1 1 392.876 1.714 20 0 GDADMM Cn1cccc1C(=O)N[C@@H]1CCCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571317751 946619774 /nfs/dbraw/zinc/61/97/74/946619774.db2.gz UFEPYKQSIODSPY-SECBINFHSA-N -1 1 392.876 1.714 20 0 GDADMM CCCCNC(=O)C1(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)CCCCC1 ZINC000825285074 947143650 /nfs/dbraw/zinc/14/36/50/947143650.db2.gz ILMXYYRZLOFFNL-UHFFFAOYSA-N -1 1 389.460 1.441 20 0 GDADMM CCCCNC(=O)C1(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)CCCCC1 ZINC000825285074 947143657 /nfs/dbraw/zinc/14/36/57/947143657.db2.gz ILMXYYRZLOFFNL-UHFFFAOYSA-N -1 1 389.460 1.441 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)c1-c1nn[n-]n1 ZINC000825565207 947224788 /nfs/dbraw/zinc/22/47/88/947224788.db2.gz NXLKWHXHDPJUHK-JSGCOSHPSA-N -1 1 387.444 1.421 20 0 GDADMM CCO[C@@H](C)c1nc(CN(C)C(=O)Cc2noc(C)c2-c2nnn[n-]2)cs1 ZINC000825576589 947238135 /nfs/dbraw/zinc/23/81/35/947238135.db2.gz LBRYKGQGOYQLJC-JTQLQIEISA-N -1 1 391.457 1.918 20 0 GDADMM CCO[C@@H](C)c1nc(CN(C)C(=O)Cc2noc(C)c2-c2nn[n-]n2)cs1 ZINC000825576589 947238149 /nfs/dbraw/zinc/23/81/49/947238149.db2.gz LBRYKGQGOYQLJC-JTQLQIEISA-N -1 1 391.457 1.918 20 0 GDADMM C[C@@H](C(=O)N(C)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccsc1 ZINC001573591545 947314782 /nfs/dbraw/zinc/31/47/82/947314782.db2.gz CPAQMCXGDCSOIY-YPMHNXCESA-N -1 1 384.469 1.559 20 0 GDADMM C[C@@H](C(=O)N(C)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccsc1 ZINC001573591545 947314795 /nfs/dbraw/zinc/31/47/95/947314795.db2.gz CPAQMCXGDCSOIY-YPMHNXCESA-N -1 1 384.469 1.559 20 0 GDADMM C[C@@H](C(=O)N(C)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C1CCCC1 ZINC001573593127 947360913 /nfs/dbraw/zinc/36/09/13/947360913.db2.gz QIWVUDIUNGVYRT-CYBMUJFWSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](C(=O)N(C)CCCN(C)c1cncc(-c2nnn[n-]2)n1)c1ccsc1 ZINC001573594903 947411241 /nfs/dbraw/zinc/41/12/41/947411241.db2.gz DQEVYWXQACUUEG-LBPRGKRZSA-N -1 1 386.485 1.807 20 0 GDADMM C[C@H](C(=O)N(C)CCCN(C)c1cncc(-c2nn[n-]n2)n1)c1ccsc1 ZINC001573594903 947411249 /nfs/dbraw/zinc/41/12/49/947411249.db2.gz DQEVYWXQACUUEG-LBPRGKRZSA-N -1 1 386.485 1.807 20 0 GDADMM C[C@H](C(=O)N(C)C1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cccs1 ZINC001573594968 947412647 /nfs/dbraw/zinc/41/26/47/947412647.db2.gz VGMWHAISEGMCMD-UNXYVOJBSA-N -1 1 384.469 1.923 20 0 GDADMM C[C@H](C(=O)N(C)C1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cccs1 ZINC001573594968 947412655 /nfs/dbraw/zinc/41/26/55/947412655.db2.gz VGMWHAISEGMCMD-UNXYVOJBSA-N -1 1 384.469 1.923 20 0 GDADMM COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000826103281 947427614 /nfs/dbraw/zinc/42/76/14/947427614.db2.gz FMJRPQLWMXDTAS-LBPRGKRZSA-N -1 1 398.423 1.544 20 0 GDADMM COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000826103281 947427623 /nfs/dbraw/zinc/42/76/23/947427623.db2.gz FMJRPQLWMXDTAS-LBPRGKRZSA-N -1 1 398.423 1.544 20 0 GDADMM C[C@H](C(=O)N(C)CCNc1nccnc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC001573602945 947473245 /nfs/dbraw/zinc/47/32/45/947473245.db2.gz CDVHWAAPYJXGHY-NSHDSACASA-N -1 1 386.847 1.984 20 0 GDADMM C[C@H](C(=O)N(C)CCNc1nccnc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC001573602945 947473252 /nfs/dbraw/zinc/47/32/52/947473252.db2.gz CDVHWAAPYJXGHY-NSHDSACASA-N -1 1 386.847 1.984 20 0 GDADMM C[C@@H](C(=O)N(C)Cc1cc(-c2ccccc2)n[nH]1)n1cnc(-c2nn[n-]n2)n1 ZINC001573602905 947474409 /nfs/dbraw/zinc/47/44/09/947474409.db2.gz BIEQDRMPZSRJML-NSHDSACASA-N -1 1 378.400 1.068 20 0 GDADMM C[C@H](C(=O)N(C)CCNc1nc(Cl)c(-c2nnn[n-]2)s1)n1cccn1 ZINC001573602934 947474550 /nfs/dbraw/zinc/47/45/50/947474550.db2.gz BWHSGUOHHUODJL-MRVPVSSYSA-N -1 1 381.853 1.305 20 0 GDADMM C[C@H](C(=O)N(C)CCNc1nc(Cl)c(-c2nn[n-]n2)s1)n1cccn1 ZINC001573602934 947474558 /nfs/dbraw/zinc/47/45/58/947474558.db2.gz BWHSGUOHHUODJL-MRVPVSSYSA-N -1 1 381.853 1.305 20 0 GDADMM C[C@@H](C(=O)N(C)CCCNc1nccnc1-c1nnn[n-]1)c1cccc(F)c1 ZINC001573603285 947481638 /nfs/dbraw/zinc/48/16/38/947481638.db2.gz JPWXFGRLLUXTDE-GFCCVEGCSA-N -1 1 384.419 1.860 20 0 GDADMM C[C@@H](C(=O)N(C)CCCNc1nccnc1-c1nn[n-]n1)c1cccc(F)c1 ZINC001573603285 947481643 /nfs/dbraw/zinc/48/16/43/947481643.db2.gz JPWXFGRLLUXTDE-GFCCVEGCSA-N -1 1 384.419 1.860 20 0 GDADMM C[C@H](C(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1)c1c(F)cccc1F ZINC001573603812 947499598 /nfs/dbraw/zinc/49/95/98/947499598.db2.gz KMLAQQPFTFWVQK-JTQLQIEISA-N -1 1 388.382 1.609 20 0 GDADMM C[C@H](C(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1)c1c(F)cccc1F ZINC001573603812 947499603 /nfs/dbraw/zinc/49/96/03/947499603.db2.gz KMLAQQPFTFWVQK-JTQLQIEISA-N -1 1 388.382 1.609 20 0 GDADMM C[C@@H](C(=O)N(C)CCNc1nccnc1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC001573603852 947500414 /nfs/dbraw/zinc/50/04/14/947500414.db2.gz KUGMUWMNALXLIN-LLVKDONJSA-N -1 1 386.847 1.984 20 0 GDADMM C[C@@H](C(=O)N(C)CCNc1nccnc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC001573603852 947500423 /nfs/dbraw/zinc/50/04/23/947500423.db2.gz KUGMUWMNALXLIN-LLVKDONJSA-N -1 1 386.847 1.984 20 0 GDADMM C[C@H](C(=O)N1CCC(N(C)c2nccnc2-c2nnn[n-]2)CC1)n1cccc1 ZINC001573615215 947601280 /nfs/dbraw/zinc/60/12/80/947601280.db2.gz CFKNJQRDNODNLX-CYBMUJFWSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@H](C(=O)N1CCC(N(C)c2nccnc2-c2nn[n-]n2)CC1)n1cccc1 ZINC001573615215 947601283 /nfs/dbraw/zinc/60/12/83/947601283.db2.gz CFKNJQRDNODNLX-CYBMUJFWSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1)C(C)(F)F ZINC001573615197 947602272 /nfs/dbraw/zinc/60/22/72/947602272.db2.gz IYSPHXJRTLOYPZ-GHMZBOCLSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CCNc2cncc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573615197 947602276 /nfs/dbraw/zinc/60/22/76/947602276.db2.gz IYSPHXJRTLOYPZ-GHMZBOCLSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1)C(C)(F)F ZINC001573615581 947606277 /nfs/dbraw/zinc/60/62/77/947606277.db2.gz STPNADRVZGZKSS-GARJFASQSA-N -1 1 378.387 1.128 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001573615581 947606280 /nfs/dbraw/zinc/60/62/80/947606280.db2.gz STPNADRVZGZKSS-GARJFASQSA-N -1 1 378.387 1.128 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)C(C)(F)F ZINC001573615588 947607067 /nfs/dbraw/zinc/60/70/67/947607067.db2.gz SUVFPZOGHLKUJQ-GARJFASQSA-N -1 1 378.387 1.128 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)C(C)(F)F ZINC001573615588 947607073 /nfs/dbraw/zinc/60/70/73/947607073.db2.gz SUVFPZOGHLKUJQ-GARJFASQSA-N -1 1 378.387 1.128 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@@H](N(C)c3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001573351721 947618494 /nfs/dbraw/zinc/61/84/94/947618494.db2.gz PKTABYSEQDOXOA-OAHLLOKOSA-N -1 1 376.424 1.651 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@@H](N(C)c3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001573351721 947618503 /nfs/dbraw/zinc/61/85/03/947618503.db2.gz PKTABYSEQDOXOA-OAHLLOKOSA-N -1 1 376.424 1.651 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CCNc2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001573616779 947627246 /nfs/dbraw/zinc/62/72/46/947627246.db2.gz NPELQFCMJQNNMU-VHSXEESVSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CCNc2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001573616779 947627252 /nfs/dbraw/zinc/62/72/52/947627252.db2.gz NPELQFCMJQNNMU-VHSXEESVSA-N -1 1 384.366 1.506 20 0 GDADMM COc1cccc(N2CC[C@@H](CNC(=O)Cc3noc(C)c3-c3nnn[n-]3)C2)c1 ZINC000826216915 947636754 /nfs/dbraw/zinc/63/67/54/947636754.db2.gz RUUFJRZGIVGGQJ-ZDUSSCGKSA-N -1 1 397.439 1.357 20 0 GDADMM COc1cccc(N2CC[C@@H](CNC(=O)Cc3noc(C)c3-c3nn[n-]n3)C2)c1 ZINC000826216915 947636757 /nfs/dbraw/zinc/63/67/57/947636757.db2.gz RUUFJRZGIVGGQJ-ZDUSSCGKSA-N -1 1 397.439 1.357 20 0 GDADMM C[C@@H](C(=O)N1CCC(CNc2ccc(-c3nnn[n-]3)nn2)CC1)C(C)(F)F ZINC001573617940 947644126 /nfs/dbraw/zinc/64/41/26/947644126.db2.gz RBZNCCNQYNRQBQ-JTQLQIEISA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H](C(=O)N1CCC(CNc2ccc(-c3nn[n-]n3)nn2)CC1)C(C)(F)F ZINC001573617940 947644129 /nfs/dbraw/zinc/64/41/29/947644129.db2.gz RBZNCCNQYNRQBQ-JTQLQIEISA-N -1 1 380.403 1.599 20 0 GDADMM C=Cc1ccc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001573355856 947646347 /nfs/dbraw/zinc/64/63/47/947646347.db2.gz RCPDQYOWMDUVLT-HNNXBMFYSA-N -1 1 376.424 1.699 20 0 GDADMM C=Cc1ccc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001573355856 947646353 /nfs/dbraw/zinc/64/63/53/947646353.db2.gz RCPDQYOWMDUVLT-HNNXBMFYSA-N -1 1 376.424 1.699 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CN(C)c2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001573620154 947676621 /nfs/dbraw/zinc/67/66/21/947676621.db2.gz YRUNCSCIXXJNHG-CHWSQXEVSA-N -1 1 382.428 1.338 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CN(C)c2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001573620154 947676629 /nfs/dbraw/zinc/67/66/29/947676629.db2.gz YRUNCSCIXXJNHG-CHWSQXEVSA-N -1 1 382.428 1.338 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1cccc2c1OCO2 ZINC000826233000 947681884 /nfs/dbraw/zinc/68/18/84/947681884.db2.gz QAOBWTPUQZBOEH-UHFFFAOYSA-N -1 1 382.380 1.884 20 0 GDADMM C[C@@H](C(=O)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1)c1cccs1 ZINC001573626874 947714593 /nfs/dbraw/zinc/71/45/93/947714593.db2.gz WZKRNWHDWWBWHS-LLVKDONJSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@@H](C(=O)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1)c1cccs1 ZINC001573626874 947714599 /nfs/dbraw/zinc/71/45/99/947714599.db2.gz WZKRNWHDWWBWHS-LLVKDONJSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cccnc1 ZINC001573627732 947732784 /nfs/dbraw/zinc/73/27/84/947732784.db2.gz BHPPJBADVQZEKI-GXTWGEPZSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cccnc1 ZINC001573627732 947732790 /nfs/dbraw/zinc/73/27/90/947732790.db2.gz BHPPJBADVQZEKI-GXTWGEPZSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@@H]1CN(C)c1nccnc1-c1nnn[n-]1)C1CCC1 ZINC001573628288 947750890 /nfs/dbraw/zinc/75/08/90/947750890.db2.gz KHHWOWBCJKPJAR-UKRRQHHQSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@@H]1CN(C)c1nccnc1-c1nn[n-]n1)C1CCC1 ZINC001573628288 947750899 /nfs/dbraw/zinc/75/08/99/947750899.db2.gz KHHWOWBCJKPJAR-UKRRQHHQSA-N -1 1 384.488 1.910 20 0 GDADMM CC(=O)CCCC(=O)N(C)C1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573367157 947755683 /nfs/dbraw/zinc/75/56/83/947755683.db2.gz YFWKMVNSPKDWOZ-UHFFFAOYSA-N -1 1 386.460 1.019 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1nccnc1-c1nnn[n-]1)c1ccco1 ZINC001573628957 947769675 /nfs/dbraw/zinc/76/96/75/947769675.db2.gz PJRWNEJGHUZYRM-OLZOCXBDSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1nccnc1-c1nn[n-]n1)c1ccco1 ZINC001573628957 947769679 /nfs/dbraw/zinc/76/96/79/947769679.db2.gz PJRWNEJGHUZYRM-OLZOCXBDSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1)C1CC1 ZINC001573629020 947769717 /nfs/dbraw/zinc/76/97/17/947769717.db2.gz QDSLHBVAKTZLKS-DJJJIMSYSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1)C1CC1 ZINC001573629020 947769721 /nfs/dbraw/zinc/76/97/21/947769721.db2.gz QDSLHBVAKTZLKS-DJJJIMSYSA-N -1 1 382.472 1.522 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@H](N(C)c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573372635 947779607 /nfs/dbraw/zinc/77/96/07/947779607.db2.gz ASQWOCCJJUYLHG-ZDUSSCGKSA-N -1 1 391.501 1.818 20 0 GDADMM C[C@H](C(=O)N1CCC[C@](CO)(Nc2cnc(-c3nnn[n-]3)cn2)C1)C(C)(C)C ZINC001573629657 947781593 /nfs/dbraw/zinc/78/15/93/947781593.db2.gz OVYHVPCJMRDRGN-XIKOKIGWSA-N -1 1 388.476 1.104 20 0 GDADMM C[C@H](C(=O)N1CCC[C@](CO)(Nc2cnc(-c3nn[n-]n3)cn2)C1)C(C)(C)C ZINC001573629657 947781604 /nfs/dbraw/zinc/78/16/04/947781604.db2.gz OVYHVPCJMRDRGN-XIKOKIGWSA-N -1 1 388.476 1.104 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@](CO)(Nc2cnc(-c3nnn[n-]3)cn2)C1)C(C)(C)C ZINC001573629648 947781759 /nfs/dbraw/zinc/78/17/59/947781759.db2.gz OVYHVPCJMRDRGN-KPZWWZAWSA-N -1 1 388.476 1.104 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@](CO)(Nc2cnc(-c3nn[n-]n3)cn2)C1)C(C)(C)C ZINC001573629648 947781765 /nfs/dbraw/zinc/78/17/65/947781765.db2.gz OVYHVPCJMRDRGN-KPZWWZAWSA-N -1 1 388.476 1.104 20 0 GDADMM CC(=O)CCCC(=O)NC1(CNc2cncc(-c3nnn[n-]3)n2)CCCCC1 ZINC001573373584 947794033 /nfs/dbraw/zinc/79/40/33/947794033.db2.gz DVFNJVXMCKKESM-UHFFFAOYSA-N -1 1 386.460 1.647 20 0 GDADMM CC(=O)CCCC(=O)NC1(CNc2cncc(-c3nn[n-]n3)n2)CCCCC1 ZINC001573373584 947794042 /nfs/dbraw/zinc/79/40/42/947794042.db2.gz DVFNJVXMCKKESM-UHFFFAOYSA-N -1 1 386.460 1.647 20 0 GDADMM CC(=O)CCCC(=O)N[C@]12CCC[C@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001573373562 947794816 /nfs/dbraw/zinc/79/48/16/947794816.db2.gz DPFIPYLZARTWSN-ACJLOTCBSA-N -1 1 384.444 1.034 20 0 GDADMM C[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573630750 947795527 /nfs/dbraw/zinc/79/55/27/947795527.db2.gz RXBMBEDDXDQCBS-MCIONIFRSA-N -1 1 384.488 1.909 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001573373785 947799061 /nfs/dbraw/zinc/79/90/61/947799061.db2.gz LOZWFHWOUCZDHN-FZMZJTMJSA-N -1 1 386.460 1.373 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001573373785 947799070 /nfs/dbraw/zinc/79/90/70/947799070.db2.gz LOZWFHWOUCZDHN-FZMZJTMJSA-N -1 1 386.460 1.373 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@](CO)(Nc2nccnc2-c2nnn[n-]2)C1)C(C)(C)C ZINC001573631356 947799378 /nfs/dbraw/zinc/79/93/78/947799378.db2.gz UTBQOYCEZPJZEJ-KZULUSFZSA-N -1 1 388.476 1.104 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@](CO)(Nc2nccnc2-c2nn[n-]n2)C1)C(C)(C)C ZINC001573631356 947799385 /nfs/dbraw/zinc/79/93/85/947799385.db2.gz UTBQOYCEZPJZEJ-KZULUSFZSA-N -1 1 388.476 1.104 20 0 GDADMM C[C@H](C(=O)N1CC[C@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1)C(C)(F)F ZINC001573631229 947800659 /nfs/dbraw/zinc/80/06/59/947800659.db2.gz UQUHWLIAKVWLPM-DIFFPNOSSA-N -1 1 392.414 1.377 20 0 GDADMM C[C@H](C(=O)N1CC[C@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1)C(C)(F)F ZINC001573631229 947800663 /nfs/dbraw/zinc/80/06/63/947800663.db2.gz UQUHWLIAKVWLPM-DIFFPNOSSA-N -1 1 392.414 1.377 20 0 GDADMM CC(=O)CCCC(=O)N[C@@]12CCC[C@@H]1N(c1nccnc1-c1nnn[n-]1)CC2 ZINC001573375285 947819389 /nfs/dbraw/zinc/81/93/89/947819389.db2.gz NOEUGIVJVISLPM-SCLBCKFNSA-N -1 1 384.444 1.034 20 0 GDADMM CC(=O)CCCC(=O)N[C@@]12CCC[C@@H]1N(c1nccnc1-c1nn[n-]n1)CC2 ZINC001573375285 947819399 /nfs/dbraw/zinc/81/93/99/947819399.db2.gz NOEUGIVJVISLPM-SCLBCKFNSA-N -1 1 384.444 1.034 20 0 GDADMM Cc1ccc(C2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)cn1 ZINC000826285771 947822655 /nfs/dbraw/zinc/82/26/55/947822655.db2.gz JLURUKPTEQSNSC-UHFFFAOYSA-N -1 1 385.453 1.533 20 0 GDADMM Cc1ccc(C2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)cn1 ZINC000826285771 947822667 /nfs/dbraw/zinc/82/26/67/947822667.db2.gz JLURUKPTEQSNSC-UHFFFAOYSA-N -1 1 385.453 1.533 20 0 GDADMM C[C@H](C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)c1cccs1 ZINC001573637734 947822984 /nfs/dbraw/zinc/82/29/84/947822984.db2.gz OJIVAMMXGQHBJS-LBPRGKRZSA-N -1 1 384.469 1.561 20 0 GDADMM C[C@H](C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)c1cccs1 ZINC001573637734 947822995 /nfs/dbraw/zinc/82/29/95/947822995.db2.gz OJIVAMMXGQHBJS-LBPRGKRZSA-N -1 1 384.469 1.561 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@H]1CN(C)c1snc(C)c1-c1nn[n-]n1 ZINC001573376335 947834817 /nfs/dbraw/zinc/83/48/17/947834817.db2.gz ZEPOJNRVABFSEC-ZDUSSCGKSA-N -1 1 391.501 1.818 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cccnc1 ZINC001573638406 947838793 /nfs/dbraw/zinc/83/87/93/947838793.db2.gz MVAJEUCOJJGXSX-OCCSQVGLSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cccnc1 ZINC001573638406 947838799 /nfs/dbraw/zinc/83/87/99/947838799.db2.gz MVAJEUCOJJGXSX-OCCSQVGLSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1F ZINC001573639729 947847807 /nfs/dbraw/zinc/84/78/07/947847807.db2.gz BTLJNXQBHUTSHX-VXGBXAGGSA-N -1 1 382.403 1.034 20 0 GDADMM C[C@H](C(=O)N1CC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)c1ccsc1 ZINC001573646418 947875513 /nfs/dbraw/zinc/87/55/13/947875513.db2.gz LZIOQOSZRSFSRH-SGMGOOAPSA-N -1 1 396.480 1.559 20 0 GDADMM C[C@H](C(=O)N1CC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)c1ccsc1 ZINC001573646418 947875521 /nfs/dbraw/zinc/87/55/21/947875521.db2.gz LZIOQOSZRSFSRH-SGMGOOAPSA-N -1 1 396.480 1.559 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573381793 947878976 /nfs/dbraw/zinc/87/89/76/947878976.db2.gz ZEPISZNLCLNOJD-VIFPVBQESA-N -1 1 383.865 1.431 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573381793 947878981 /nfs/dbraw/zinc/87/89/81/947878981.db2.gz ZEPISZNLCLNOJD-VIFPVBQESA-N -1 1 383.865 1.431 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573384136 947900433 /nfs/dbraw/zinc/90/04/33/947900433.db2.gz HRTGFWLKPWVJEH-HDJSIYSDSA-N -1 1 386.460 1.503 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573384136 947900440 /nfs/dbraw/zinc/90/04/40/947900440.db2.gz HRTGFWLKPWVJEH-HDJSIYSDSA-N -1 1 386.460 1.503 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@]2(C)C1)C(C)(C)C ZINC001573650751 947914331 /nfs/dbraw/zinc/91/43/31/947914331.db2.gz DQCRJBNPJFNOOI-QUJCMNEKSA-N -1 1 384.488 1.624 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@]2(C)C1)C(C)(C)C ZINC001573650751 947914337 /nfs/dbraw/zinc/91/43/37/947914337.db2.gz DQCRJBNPJFNOOI-QUJCMNEKSA-N -1 1 384.488 1.624 20 0 GDADMM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1nc(Cl)c(-c2nnn[n-]2)s1)C1CC1 ZINC001573651534 947920971 /nfs/dbraw/zinc/92/09/71/947920971.db2.gz NPSAKDDVHIRFML-HGNGGELXSA-N -1 1 379.877 1.812 20 0 GDADMM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1nc(Cl)c(-c2nn[n-]n2)s1)C1CC1 ZINC001573651534 947920978 /nfs/dbraw/zinc/92/09/78/947920978.db2.gz NPSAKDDVHIRFML-HGNGGELXSA-N -1 1 379.877 1.812 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C(C)(C)C)c1ccco1 ZINC001573653125 947950744 /nfs/dbraw/zinc/95/07/44/947950744.db2.gz JHAXVNMVTIDLEI-SMDDNHRTSA-N -1 1 384.444 1.996 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C(C)(C)C)c1ccco1 ZINC001573653125 947950752 /nfs/dbraw/zinc/95/07/52/947950752.db2.gz JHAXVNMVTIDLEI-SMDDNHRTSA-N -1 1 384.444 1.996 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CCCC1)C1CCC1 ZINC001573653280 947955634 /nfs/dbraw/zinc/95/56/34/947955634.db2.gz KIKLBEZAGZUBAJ-SWLSCSKDSA-N -1 1 384.488 1.602 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)c1cccs1 ZINC001573653389 947956297 /nfs/dbraw/zinc/95/62/97/947956297.db2.gz LFYVLFPDMYKXER-ZYHUDNBSSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)c1cccs1 ZINC001573653389 947956306 /nfs/dbraw/zinc/95/63/06/947956306.db2.gz LFYVLFPDMYKXER-ZYHUDNBSSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)N[C@@](C)(CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)n1cccc1 ZINC001573653680 947959849 /nfs/dbraw/zinc/95/98/49/947959849.db2.gz NHENRQVZUSWEIW-SGTLLEGYSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](C(=O)N[C@@](C)(CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)n1cccc1 ZINC001573653680 947959857 /nfs/dbraw/zinc/95/98/57/947959857.db2.gz NHENRQVZUSWEIW-SGTLLEGYSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)c1cccnc1 ZINC001573654269 947963813 /nfs/dbraw/zinc/96/38/13/947963813.db2.gz QITOUMJISVXIPP-SMDDNHRTSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)c1cccnc1 ZINC001573654269 947963819 /nfs/dbraw/zinc/96/38/19/947963819.db2.gz QITOUMJISVXIPP-SMDDNHRTSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C(C)(C)C)n1cccc1 ZINC001573655237 947977909 /nfs/dbraw/zinc/97/79/09/947977909.db2.gz WPVYUAMNSPONSN-OLZOCXBDSA-N -1 1 383.460 1.662 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C(C)(C)C)n1cccc1 ZINC001573655237 947977917 /nfs/dbraw/zinc/97/79/17/947977917.db2.gz WPVYUAMNSPONSN-OLZOCXBDSA-N -1 1 383.460 1.662 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C(C)(C)C)C(C)(F)F ZINC001573655553 947979823 /nfs/dbraw/zinc/97/98/23/947979823.db2.gz YFPNKISUGCDMAD-ONGXEEELSA-N -1 1 382.419 1.891 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C(C)(C)C)C(C)(F)F ZINC001573655553 947979830 /nfs/dbraw/zinc/97/98/30/947979830.db2.gz YFPNKISUGCDMAD-ONGXEEELSA-N -1 1 382.419 1.891 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C(C)(C)C)n1cccc1 ZINC001573655785 947982591 /nfs/dbraw/zinc/98/25/91/947982591.db2.gz YUZWEEMBWKBKEN-GXTWGEPZSA-N -1 1 383.460 1.662 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C(C)(C)C)n1cccc1 ZINC001573655785 947982599 /nfs/dbraw/zinc/98/25/99/947982599.db2.gz YUZWEEMBWKBKEN-GXTWGEPZSA-N -1 1 383.460 1.662 20 0 GDADMM Cc1onc(CC(=O)N(C[C@@H](O)c2ccc(F)cc2)C2CC2)c1-c1nnn[n-]1 ZINC000826343437 947990295 /nfs/dbraw/zinc/99/02/95/947990295.db2.gz ARCAZEDDZJGPMK-OAHLLOKOSA-N -1 1 386.387 1.569 20 0 GDADMM Cc1onc(CC(=O)N(C[C@@H](O)c2ccc(F)cc2)C2CC2)c1-c1nn[n-]n1 ZINC000826343437 947990300 /nfs/dbraw/zinc/99/03/00/947990300.db2.gz ARCAZEDDZJGPMK-OAHLLOKOSA-N -1 1 386.387 1.569 20 0 GDADMM C[C@@H](C(=O)NC1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C1CCCC1 ZINC001573656806 947992912 /nfs/dbraw/zinc/99/29/12/947992912.db2.gz IINJSOZKMKTCIF-CYBMUJFWSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](C(=O)NC1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C1CCCC1 ZINC001573656806 947992921 /nfs/dbraw/zinc/99/29/21/947992921.db2.gz IINJSOZKMKTCIF-CYBMUJFWSA-N -1 1 384.488 1.958 20 0 GDADMM Cc1onc(CC(=O)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c1-c1nnn[n-]1 ZINC000826344119 948003274 /nfs/dbraw/zinc/00/32/74/948003274.db2.gz XTCQZRKTNCZNEU-NSHDSACASA-N -1 1 389.460 1.105 20 0 GDADMM Cc1onc(CC(=O)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c1-c1nn[n-]n1 ZINC000826344119 948003282 /nfs/dbraw/zinc/00/32/82/948003282.db2.gz XTCQZRKTNCZNEU-NSHDSACASA-N -1 1 389.460 1.105 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@@H](CC(=O)OC(C)(C)C)C2)c1-c1nnn[n-]1 ZINC000826344387 948006624 /nfs/dbraw/zinc/00/66/24/948006624.db2.gz GMRUXKVQDJWBRE-LBPRGKRZSA-N -1 1 390.444 1.676 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@@H](CC(=O)OC(C)(C)C)C2)c1-c1nn[n-]n1 ZINC000826344387 948006637 /nfs/dbraw/zinc/00/66/37/948006637.db2.gz GMRUXKVQDJWBRE-LBPRGKRZSA-N -1 1 390.444 1.676 20 0 GDADMM Cc1onc(CC(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)c1-c1nnn[n-]1 ZINC000826345125 948019061 /nfs/dbraw/zinc/01/90/61/948019061.db2.gz CQENBMNLNVOWQS-GFCCVEGCSA-N -1 1 391.432 1.125 20 0 GDADMM Cc1onc(CC(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)c1-c1nn[n-]n1 ZINC000826345125 948019071 /nfs/dbraw/zinc/01/90/71/948019071.db2.gz CQENBMNLNVOWQS-GFCCVEGCSA-N -1 1 391.432 1.125 20 0 GDADMM Cc1onc(CC(=O)N[C@H](CO)c2ccc(C(F)(F)F)cc2)c1-c1nnn[n-]1 ZINC000826345178 948019567 /nfs/dbraw/zinc/01/95/67/948019567.db2.gz FLGJLAMDGGCBRQ-GFCCVEGCSA-N -1 1 396.329 1.574 20 0 GDADMM Cc1onc(CC(=O)N[C@H](CO)c2ccc(C(F)(F)F)cc2)c1-c1nn[n-]n1 ZINC000826345178 948019573 /nfs/dbraw/zinc/01/95/73/948019573.db2.gz FLGJLAMDGGCBRQ-GFCCVEGCSA-N -1 1 396.329 1.574 20 0 GDADMM C[C@H](C(=O)N[C@@]12CCC[C@@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2)C1CCC1 ZINC001573661764 948020213 /nfs/dbraw/zinc/02/02/13/948020213.db2.gz AFZLZFTXLSYKHR-PTAUBWNISA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H](C(=O)N[C@@]12CCC[C@@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2)C1CCC1 ZINC001573662057 948022763 /nfs/dbraw/zinc/02/27/63/948022763.db2.gz BBFVBHCBNIYWCF-VRHCTWJESA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H](C(=O)N[C@@]12CCC[C@@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2)C1CCC1 ZINC001573662057 948022770 /nfs/dbraw/zinc/02/27/70/948022770.db2.gz BBFVBHCBNIYWCF-VRHCTWJESA-N -1 1 382.472 1.711 20 0 GDADMM Cc1onc(CC(=O)N2CCc3c(cnn3-c3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826345653 948028137 /nfs/dbraw/zinc/02/81/37/948028137.db2.gz QFKYKZTZKOFWLJ-UHFFFAOYSA-N -1 1 390.407 1.476 20 0 GDADMM Cc1onc(CC(=O)N2CCc3c(cnn3-c3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826345653 948028144 /nfs/dbraw/zinc/02/81/44/948028144.db2.gz QFKYKZTZKOFWLJ-UHFFFAOYSA-N -1 1 390.407 1.476 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1)C(F)(F)F ZINC001573663901 948045113 /nfs/dbraw/zinc/04/51/13/948045113.db2.gz BISFUASOYIQCBB-ZJUUUORDSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1)C(F)(F)F ZINC001573663901 948045122 /nfs/dbraw/zinc/04/51/22/948045122.db2.gz BISFUASOYIQCBB-ZJUUUORDSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nn1)CC2)C1CCC1 ZINC001573664240 948051085 /nfs/dbraw/zinc/05/10/85/948051085.db2.gz SDQMDFFLEIJWRZ-SWLSCSKDSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nn1)CC2)C1CCC1 ZINC001573664240 948051090 /nfs/dbraw/zinc/05/10/90/948051090.db2.gz SDQMDFFLEIJWRZ-SWLSCSKDSA-N -1 1 382.472 1.568 20 0 GDADMM Cc1onc(CC(=O)NCc2ccc(OC(F)(F)F)cc2)c1-c1nnn[n-]1 ZINC000826348054 948066233 /nfs/dbraw/zinc/06/62/33/948066233.db2.gz RMMDOAJKHDHPTN-UHFFFAOYSA-N -1 1 382.302 1.921 20 0 GDADMM Cc1onc(CC(=O)NCc2ccc(OC(F)(F)F)cc2)c1-c1nn[n-]n1 ZINC000826348054 948066240 /nfs/dbraw/zinc/06/62/40/948066240.db2.gz RMMDOAJKHDHPTN-UHFFFAOYSA-N -1 1 382.302 1.921 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccsc1 ZINC001573665048 948067300 /nfs/dbraw/zinc/06/73/00/948067300.db2.gz HZRDIJAFRJQQED-AAEUAGOBSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccsc1 ZINC001573665048 948067314 /nfs/dbraw/zinc/06/73/14/948067314.db2.gz HZRDIJAFRJQQED-AAEUAGOBSA-N -1 1 384.469 1.607 20 0 GDADMM Cc1onc(CC(=O)Nc2ccccc2N2CCC(CO)CC2)c1-c1nnn[n-]1 ZINC000826348765 948079891 /nfs/dbraw/zinc/07/98/91/948079891.db2.gz CRUOYDBRXIQLER-UHFFFAOYSA-N -1 1 397.439 1.553 20 0 GDADMM Cc1onc(CC(=O)Nc2ccccc2N2CCC(CO)CC2)c1-c1nn[n-]n1 ZINC000826348765 948079901 /nfs/dbraw/zinc/07/99/01/948079901.db2.gz CRUOYDBRXIQLER-UHFFFAOYSA-N -1 1 397.439 1.553 20 0 GDADMM CC(=O)N(Cc1ccccc1)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573414579 948094983 /nfs/dbraw/zinc/09/49/83/948094983.db2.gz KPOUDOLQDDHBAD-MRXNPFEDSA-N -1 1 378.440 1.674 20 0 GDADMM CC(=O)N(Cc1ccccc1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573414579 948094993 /nfs/dbraw/zinc/09/49/93/948094993.db2.gz KPOUDOLQDDHBAD-MRXNPFEDSA-N -1 1 378.440 1.674 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C(C)(F)F ZINC001573667132 948095140 /nfs/dbraw/zinc/09/51/40/948095140.db2.gz YCWBGNSEESSGFA-GHMZBOCLSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C(C)(F)F ZINC001573667132 948095147 /nfs/dbraw/zinc/09/51/47/948095147.db2.gz YCWBGNSEESSGFA-GHMZBOCLSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](C(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)c1cccs1 ZINC001573675235 948121515 /nfs/dbraw/zinc/12/15/15/948121515.db2.gz PIPDBRBFPWCFIB-LLVKDONJSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C)C1CCC1 ZINC001573676764 948128203 /nfs/dbraw/zinc/12/82/03/948128203.db2.gz VJKWAQAHGBOLBE-WFASDCNBSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C)C1CCC1 ZINC001573676764 948128207 /nfs/dbraw/zinc/12/82/07/948128207.db2.gz VJKWAQAHGBOLBE-WFASDCNBSA-N -1 1 384.488 1.814 20 0 GDADMM Cn1cnc(-c2cccc([N-]S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)c2)n1 ZINC000826364907 948142456 /nfs/dbraw/zinc/14/24/56/948142456.db2.gz QPVQVZVARKKRGW-UHFFFAOYSA-N -1 1 382.409 1.463 20 0 GDADMM C[C@H](C(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1)c1cccnc1 ZINC001573678562 948150762 /nfs/dbraw/zinc/15/07/62/948150762.db2.gz FEHVWKAIGCXPDZ-XHDPSFHLSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@H](C(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1)c1cccnc1 ZINC001573678562 948150769 /nfs/dbraw/zinc/15/07/69/948150769.db2.gz FEHVWKAIGCXPDZ-XHDPSFHLSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@@H](C(=O)NC[C@@H](CO)Nc1snc(Cl)c1-c1nnn[n-]1)C(C)(C)C ZINC001573679862 948167725 /nfs/dbraw/zinc/16/77/25/948167725.db2.gz KECVKCAHLYGISR-YUMQZZPRSA-N -1 1 387.897 1.548 20 0 GDADMM C[C@@H](C(=O)NC[C@@H](CO)Nc1snc(Cl)c1-c1nn[n-]n1)C(C)(C)C ZINC001573679862 948167731 /nfs/dbraw/zinc/16/77/31/948167731.db2.gz KECVKCAHLYGISR-YUMQZZPRSA-N -1 1 387.897 1.548 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C)n1cccc1 ZINC001573680255 948175190 /nfs/dbraw/zinc/17/51/90/948175190.db2.gz OYNQTPNCKXWRLU-JSGCOSHPSA-N -1 1 381.444 1.050 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C)n1cccc1 ZINC001573680255 948175194 /nfs/dbraw/zinc/17/51/94/948175194.db2.gz OYNQTPNCKXWRLU-JSGCOSHPSA-N -1 1 381.444 1.050 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C)C1CCCC1 ZINC001573680752 948188431 /nfs/dbraw/zinc/18/84/31/948188431.db2.gz RNGOYQCBXDCIIU-SWLSCSKDSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C)C1CCCC1 ZINC001573680752 948188436 /nfs/dbraw/zinc/18/84/36/948188436.db2.gz RNGOYQCBXDCIIU-SWLSCSKDSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)NC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)c1ccccc1)C1CC1 ZINC001573681290 948199193 /nfs/dbraw/zinc/19/91/93/948199193.db2.gz UMUKAUFYQGFCOG-DOMZBBRYSA-N -1 1 378.440 1.394 20 0 GDADMM C[C@H](C(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccccc1)C1CC1 ZINC001573681543 948206457 /nfs/dbraw/zinc/20/64/57/948206457.db2.gz WGOYTOQBRMWUPO-LRDDRELGSA-N -1 1 378.440 1.972 20 0 GDADMM C[C@H](C(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccccc1)C1CC1 ZINC001573681543 948206469 /nfs/dbraw/zinc/20/64/69/948206469.db2.gz WGOYTOQBRMWUPO-LRDDRELGSA-N -1 1 378.440 1.972 20 0 GDADMM CC(=O)N1CCC2(CC1)CN(c1nc(Cl)c(-c3nnn[n-]3)s1)CCO2 ZINC001573439735 948251184 /nfs/dbraw/zinc/25/11/84/948251184.db2.gz QOIZWYZTOXLIRX-UHFFFAOYSA-N -1 1 383.865 1.194 20 0 GDADMM CC(=O)N1CCC2(CC1)CN(c1nc(Cl)c(-c3nn[n-]n3)s1)CCO2 ZINC001573439735 948251192 /nfs/dbraw/zinc/25/11/92/948251192.db2.gz QOIZWYZTOXLIRX-UHFFFAOYSA-N -1 1 383.865 1.194 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCCC1)[C@H]1CCCO1 ZINC001573693272 948279899 /nfs/dbraw/zinc/27/98/99/948279899.db2.gz VYTUUHGOPMEWJS-GXTWGEPZSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCCC1)[C@H]1CCCO1 ZINC001573693272 948279906 /nfs/dbraw/zinc/27/99/06/948279906.db2.gz VYTUUHGOPMEWJS-GXTWGEPZSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001573701592 948339798 /nfs/dbraw/zinc/33/97/98/948339798.db2.gz BGTIKZNXPAUXDR-NXEZZACHSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001573701592 948339809 /nfs/dbraw/zinc/33/98/09/948339809.db2.gz BGTIKZNXPAUXDR-NXEZZACHSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1)C(F)(F)F ZINC001573701851 948341234 /nfs/dbraw/zinc/34/12/34/948341234.db2.gz BKZAVBREIOQWLY-VHSXEESVSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1)C(F)(F)F ZINC001573701851 948341238 /nfs/dbraw/zinc/34/12/38/948341238.db2.gz BKZAVBREIOQWLY-VHSXEESVSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573703864 948361308 /nfs/dbraw/zinc/36/13/08/948361308.db2.gz NFBXHHPSUWSSAC-WDEREUQCSA-N -1 1 380.403 1.281 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573704020 948361667 /nfs/dbraw/zinc/36/16/67/948361667.db2.gz NZYMWYODTWBUFH-VHSXEESVSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCC(C)(C)CN1c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573704173 948365410 /nfs/dbraw/zinc/36/54/10/948365410.db2.gz PYYUUCMMFCFEBH-TZMCWYRMSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCC(C)(C)CN1c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573704173 948365419 /nfs/dbraw/zinc/36/54/19/948365419.db2.gz PYYUUCMMFCFEBH-TZMCWYRMSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)NCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)n1cccc1 ZINC001573704552 948375735 /nfs/dbraw/zinc/37/57/35/948375735.db2.gz BXVSMVSLLGSOJI-ZDUSSCGKSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](C(=O)NCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)n1cccc1 ZINC001573704552 948375742 /nfs/dbraw/zinc/37/57/42/948375742.db2.gz BXVSMVSLLGSOJI-ZDUSSCGKSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccsc1 ZINC001573708174 948444623 /nfs/dbraw/zinc/44/46/23/948444623.db2.gz SDLHTQMSRIWKRG-RYUDHWBXSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccsc1 ZINC001573708174 948444630 /nfs/dbraw/zinc/44/46/30/948444630.db2.gz SDLHTQMSRIWKRG-RYUDHWBXSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccsc1 ZINC001573708333 948448023 /nfs/dbraw/zinc/44/80/23/948448023.db2.gz UCRDVQAJHHINHV-VXGBXAGGSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccsc1 ZINC001573708333 948448026 /nfs/dbraw/zinc/44/80/26/948448026.db2.gz UCRDVQAJHHINHV-VXGBXAGGSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@@H](C(=O)NCC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001573714554 948474926 /nfs/dbraw/zinc/47/49/26/948474926.db2.gz ICYIDKKIOPRSSW-OLZOCXBDSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@@H](C(=O)NCC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)C1CCCC1 ZINC001573714923 948478357 /nfs/dbraw/zinc/47/83/57/948478357.db2.gz LJYKNKDNPSDXEN-KGLIPLIRSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NCC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573714923 948478362 /nfs/dbraw/zinc/47/83/62/948478362.db2.gz LJYKNKDNPSDXEN-KGLIPLIRSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NCC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1CCCC1 ZINC001573715074 948481868 /nfs/dbraw/zinc/48/18/68/948481868.db2.gz OAYZMZKIRZCVNV-UONOGXRCSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NCC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1CCCC1 ZINC001573715074 948481878 /nfs/dbraw/zinc/48/18/78/948481878.db2.gz OAYZMZKIRZCVNV-UONOGXRCSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NCC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccco1 ZINC001573715514 948490811 /nfs/dbraw/zinc/49/08/11/948490811.db2.gz XQWHXPFFUUSZND-QWHCGFSZSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@H](C(=O)NCC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccco1 ZINC001573715514 948490815 /nfs/dbraw/zinc/49/08/15/948490815.db2.gz XQWHXPFFUUSZND-QWHCGFSZSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@@H](C(=O)NCC[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001573716906 948502180 /nfs/dbraw/zinc/50/21/80/948502180.db2.gz JOZBZOXJZQMVGB-NWDGAFQWSA-N -1 1 384.419 1.328 20 0 GDADMM C[C@@H](C(=O)NCC[C@H](C)Nc1cncc(-c2nnn[n-]2)n1)c1ccccc1F ZINC001573717856 948512922 /nfs/dbraw/zinc/51/29/22/948512922.db2.gz NTQJJUYYBUHNBX-NWDGAFQWSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@@H](C(=O)NCC[C@H](C)Nc1cncc(-c2nn[n-]n2)n1)c1ccccc1F ZINC001573717856 948512926 /nfs/dbraw/zinc/51/29/26/948512926.db2.gz NTQJJUYYBUHNBX-NWDGAFQWSA-N -1 1 384.419 1.906 20 0 GDADMM CC(C(=O)NCCOCCCNc1cnc(-c2nnn[n-]2)cn1)=C1CCCC1 ZINC001573719565 948524644 /nfs/dbraw/zinc/52/46/44/948524644.db2.gz WSWFJGUMQRXXPY-UHFFFAOYSA-N -1 1 386.460 1.482 20 0 GDADMM CC(C(=O)NCCOCCCNc1cnc(-c2nn[n-]n2)cn1)=C1CCCC1 ZINC001573719565 948524648 /nfs/dbraw/zinc/52/46/48/948524648.db2.gz WSWFJGUMQRXXPY-UHFFFAOYSA-N -1 1 386.460 1.482 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1nc(-c2nn[n-]n2)c(Cl)s1)[C@H]1CCCO1 ZINC001573719752 948528740 /nfs/dbraw/zinc/52/87/40/948528740.db2.gz OYDBBHKNZYPRLW-DTWKUNHWSA-N -1 1 385.881 1.344 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1cncc(-c2nnn[n-]2)n1)c1ccc(Cl)s1 ZINC001573720159 948529976 /nfs/dbraw/zinc/52/99/76/948529976.db2.gz PLKVHNGZRUIGAB-SECBINFHSA-N -1 1 392.876 1.728 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1cncc(-c2nn[n-]n2)n1)c1ccc(Cl)s1 ZINC001573720159 948529982 /nfs/dbraw/zinc/52/99/82/948529982.db2.gz PLKVHNGZRUIGAB-SECBINFHSA-N -1 1 392.876 1.728 20 0 GDADMM C[C@H](C(=O)NCc1ccc(CNc2cncc(-c3nnn[n-]3)n2)cc1)C1CC1 ZINC001573727585 948556269 /nfs/dbraw/zinc/55/62/69/948556269.db2.gz ANDKFNWDHGLKFD-LBPRGKRZSA-N -1 1 378.440 1.931 20 0 GDADMM C[C@H](C(=O)NCc1ccc(CNc2cncc(-c3nn[n-]n3)n2)cc1)C1CC1 ZINC001573727585 948556275 /nfs/dbraw/zinc/55/62/75/948556275.db2.gz ANDKFNWDHGLKFD-LBPRGKRZSA-N -1 1 378.440 1.931 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001573728632 948561097 /nfs/dbraw/zinc/56/10/97/948561097.db2.gz QCYOCZNIQIQWGU-HZSPNIEDSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001573728632 948561102 /nfs/dbraw/zinc/56/11/02/948561102.db2.gz QCYOCZNIQIQWGU-HZSPNIEDSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cccs1 ZINC001573730043 948575355 /nfs/dbraw/zinc/57/53/55/948575355.db2.gz KVLPKLKYFCJFMW-SRVKXCTJSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cccs1 ZINC001573730043 948575360 /nfs/dbraw/zinc/57/53/60/948575360.db2.gz KVLPKLKYFCJFMW-SRVKXCTJSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H](C)c1ccc(F)c(F)c1 ZINC001573731176 948588970 /nfs/dbraw/zinc/58/89/70/948588970.db2.gz FAZNZQDTTDZXME-UWVGGRQHSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)c1ccc(F)c(F)c1 ZINC001573731176 948588974 /nfs/dbraw/zinc/58/89/74/948588974.db2.gz FAZNZQDTTDZXME-UWVGGRQHSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H](C)n1cnc2ccccc21 ZINC001573739536 948621247 /nfs/dbraw/zinc/62/12/47/948621247.db2.gz DUTNLJXABKIMPL-VXGBXAGGSA-N -1 1 392.427 1.184 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H](C)n1cnc2ccccc21 ZINC001573739536 948621251 /nfs/dbraw/zinc/62/12/51/948621251.db2.gz DUTNLJXABKIMPL-VXGBXAGGSA-N -1 1 392.427 1.184 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C)c1ccsc1 ZINC001573740159 948628855 /nfs/dbraw/zinc/62/88/55/948628855.db2.gz GEEKARSXEJJJFH-JTNHKYCSSA-N -1 1 384.469 1.463 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C)c1ccsc1 ZINC001573740159 948628857 /nfs/dbraw/zinc/62/88/57/948628857.db2.gz GEEKARSXEJJJFH-JTNHKYCSSA-N -1 1 384.469 1.463 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1cccs1 ZINC001573749508 948700701 /nfs/dbraw/zinc/70/07/01/948700701.db2.gz ZXLNEBXVNGBMFQ-IJLUTSLNSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573749508 948700705 /nfs/dbraw/zinc/70/07/05/948700705.db2.gz ZXLNEBXVNGBMFQ-IJLUTSLNSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)c1cccnc1 ZINC001573752568 948714266 /nfs/dbraw/zinc/71/42/66/948714266.db2.gz OLWUTHMMNNYVIT-UYHMYPTGSA-N -1 1 391.439 1.081 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001573752568 948714275 /nfs/dbraw/zinc/71/42/75/948714275.db2.gz OLWUTHMMNNYVIT-UYHMYPTGSA-N -1 1 391.439 1.081 20 0 GDADMM CC(C)[C@@H](F)C(=O)N1CCC2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001574075643 948747897 /nfs/dbraw/zinc/74/78/97/948747897.db2.gz XWFOOEBMRODZKK-CQSZACIVSA-N -1 1 388.451 1.470 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@@H](C)[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)cn1 ZINC001574416533 948749184 /nfs/dbraw/zinc/74/91/84/948749184.db2.gz XDRBOIOJHTWXAV-RYUDHWBXSA-N -1 1 381.444 1.794 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@@H](C)[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)cn1 ZINC001574416533 948749191 /nfs/dbraw/zinc/74/91/91/948749191.db2.gz XDRBOIOJHTWXAV-RYUDHWBXSA-N -1 1 381.444 1.794 20 0 GDADMM C[C@H](CNC(=O)CCc1ccc(Cl)cc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574914844 948757597 /nfs/dbraw/zinc/75/75/97/948757597.db2.gz NXNUMWGQKAXVHG-LLVKDONJSA-N -1 1 386.847 1.281 20 0 GDADMM C[C@H](CNC(=O)CCc1cccc(Cl)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574914856 948757968 /nfs/dbraw/zinc/75/79/68/948757968.db2.gz ODMFKFRRLMVGQG-LLVKDONJSA-N -1 1 386.847 1.860 20 0 GDADMM C[C@H](CNC(=O)CCc1cccc(Cl)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574914856 948757980 /nfs/dbraw/zinc/75/79/80/948757980.db2.gz ODMFKFRRLMVGQG-LLVKDONJSA-N -1 1 386.847 1.860 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@]1(C)CCc2ccccc21 ZINC001574678848 948760035 /nfs/dbraw/zinc/76/00/35/948760035.db2.gz KAKCCDMEWJXMEL-XCLFUZPHSA-N -1 1 392.467 1.868 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@]1(C)CCc2ccccc21 ZINC001574678848 948760046 /nfs/dbraw/zinc/76/00/46/948760046.db2.gz KAKCCDMEWJXMEL-XCLFUZPHSA-N -1 1 392.467 1.868 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ocnc1C(F)F ZINC001574678796 948760650 /nfs/dbraw/zinc/76/06/50/948760650.db2.gz IWOGWTPRDVVOAE-SSDOTTSWSA-N -1 1 379.331 1.203 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ocnc1C(F)F ZINC001574678796 948760662 /nfs/dbraw/zinc/76/06/62/948760662.db2.gz IWOGWTPRDVVOAE-SSDOTTSWSA-N -1 1 379.331 1.203 20 0 GDADMM C[C@H](CNC(=O)CCc1ccccn1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574915022 948760774 /nfs/dbraw/zinc/76/07/74/948760774.db2.gz PAYIMXHEAGXISC-SECBINFHSA-N -1 1 392.876 1.921 20 0 GDADMM C[C@H](CNC(=O)CCc1ccccn1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574915022 948760782 /nfs/dbraw/zinc/76/07/82/948760782.db2.gz PAYIMXHEAGXISC-SECBINFHSA-N -1 1 392.876 1.921 20 0 GDADMM CC(C)c1cccc(C(=O)N2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)n1 ZINC001574418666 948780773 /nfs/dbraw/zinc/78/07/73/948780773.db2.gz ZKUJHHUIUAWLFG-UHFFFAOYSA-N -1 1 379.428 1.138 20 0 GDADMM CC(F)(F)CC(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C12CCC2 ZINC001575224257 948781369 /nfs/dbraw/zinc/78/13/69/948781369.db2.gz KZNDZRWHYZGMNH-QWRGUYRKSA-N -1 1 378.387 1.541 20 0 GDADMM CC(F)(F)CC(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C12CCC2 ZINC001575224257 948781378 /nfs/dbraw/zinc/78/13/78/948781378.db2.gz KZNDZRWHYZGMNH-QWRGUYRKSA-N -1 1 378.387 1.541 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CCCC[C@H]2Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575224406 948784393 /nfs/dbraw/zinc/78/43/93/948784393.db2.gz VSSUHULWXMKZIT-GHMZBOCLSA-N -1 1 392.414 1.931 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CCCC[C@H]2Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575224406 948784404 /nfs/dbraw/zinc/78/44/04/948784404.db2.gz VSSUHULWXMKZIT-GHMZBOCLSA-N -1 1 392.414 1.931 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCc2ccccc2C1 ZINC001574679596 948787290 /nfs/dbraw/zinc/78/72/90/948787290.db2.gz YLKFDBFDSMORBI-BBRMVZONSA-N -1 1 392.467 1.769 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCc2ccccc2C1 ZINC001574679596 948787303 /nfs/dbraw/zinc/78/73/03/948787303.db2.gz YLKFDBFDSMORBI-BBRMVZONSA-N -1 1 392.467 1.769 20 0 GDADMM CC(F)(F)CC(=O)N[C@]12CCC[C@@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001575224618 948788120 /nfs/dbraw/zinc/78/81/20/948788120.db2.gz PHPSZCATQYMTOZ-ZBEGNZNMSA-N -1 1 378.387 1.320 20 0 GDADMM CC(F)(F)CC(=O)N[C@]12CCC[C@@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001575224618 948788137 /nfs/dbraw/zinc/78/81/37/948788137.db2.gz PHPSZCATQYMTOZ-ZBEGNZNMSA-N -1 1 378.387 1.320 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1[nH]cnc1C(C)(C)C ZINC001574679879 948792119 /nfs/dbraw/zinc/79/21/19/948792119.db2.gz ALKVSFDUHOXCPR-SNVBAGLBSA-N -1 1 384.448 1.298 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1[nH]cnc1C(C)(C)C ZINC001574679879 948792130 /nfs/dbraw/zinc/79/21/30/948792130.db2.gz ALKVSFDUHOXCPR-SNVBAGLBSA-N -1 1 384.448 1.298 20 0 GDADMM CC(F)(F)C1(C(=O)NCC[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575224737 948792580 /nfs/dbraw/zinc/79/25/80/948792580.db2.gz YFBOAQQFDIJYTE-LLVKDONJSA-N -1 1 392.414 1.425 20 0 GDADMM C[C@H](CNC(=O)CCc1ccncc1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574916867 948792816 /nfs/dbraw/zinc/79/28/16/948792816.db2.gz LNWPZJHWRSCRQZ-SECBINFHSA-N -1 1 392.876 1.921 20 0 GDADMM C[C@H](CNC(=O)CCc1ccncc1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574916867 948792828 /nfs/dbraw/zinc/79/28/28/948792828.db2.gz LNWPZJHWRSCRQZ-SECBINFHSA-N -1 1 392.876 1.921 20 0 GDADMM CC(F)(F)CC(=O)N1C[C@@H]2C[C@H]1CN2c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575225098 948798012 /nfs/dbraw/zinc/79/80/12/948798012.db2.gz WJSQZBPXUHZIKN-BQBZGAKWSA-N -1 1 389.819 1.811 20 0 GDADMM CC(F)(F)CC(=O)N1C[C@@H]2C[C@H]1CN2c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575225098 948798025 /nfs/dbraw/zinc/79/80/25/948798025.db2.gz WJSQZBPXUHZIKN-BQBZGAKWSA-N -1 1 389.819 1.811 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCCc1ccccn1 ZINC001574680384 948805315 /nfs/dbraw/zinc/80/53/15/948805315.db2.gz GRIGDTATRIFALD-ZDUSSCGKSA-N -1 1 381.444 1.381 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCCc1ccccn1 ZINC001574680384 948805336 /nfs/dbraw/zinc/80/53/36/948805336.db2.gz GRIGDTATRIFALD-ZDUSSCGKSA-N -1 1 381.444 1.381 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)C1Cc2ccccc2C1 ZINC001574681704 948819444 /nfs/dbraw/zinc/81/94/44/948819444.db2.gz MUTWTYQEFMFXEO-GFCCVEGCSA-N -1 1 378.440 1.378 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)C1Cc2ccccc2C1 ZINC001574681704 948819461 /nfs/dbraw/zinc/81/94/61/948819461.db2.gz MUTWTYQEFMFXEO-GFCCVEGCSA-N -1 1 378.440 1.378 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001575227385 948827965 /nfs/dbraw/zinc/82/79/65/948827965.db2.gz VQNIHDRWPDDYKQ-NSHDSACASA-N -1 1 380.403 1.743 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001575227385 948827987 /nfs/dbraw/zinc/82/79/87/948827987.db2.gz VQNIHDRWPDDYKQ-NSHDSACASA-N -1 1 380.403 1.743 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[C@@H]1CCC(F)(F)C1 ZINC001574682614 948833030 /nfs/dbraw/zinc/83/30/30/948833030.db2.gz QZOIZLYEGOLDBY-MNOVXSKESA-N -1 1 380.403 1.789 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[C@@H]1CCC(F)(F)C1 ZINC001574682614 948833047 /nfs/dbraw/zinc/83/30/47/948833047.db2.gz QZOIZLYEGOLDBY-MNOVXSKESA-N -1 1 380.403 1.789 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@H](C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001574682830 948833082 /nfs/dbraw/zinc/83/30/82/948833082.db2.gz RQMJFDPOMWKXRL-SNVBAGLBSA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@H](C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001574682830 948833102 /nfs/dbraw/zinc/83/31/02/948833102.db2.gz RQMJFDPOMWKXRL-SNVBAGLBSA-N -1 1 387.473 1.857 20 0 GDADMM C[C@H](CNC(=O)CCCc1ccsc1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574918136 948836588 /nfs/dbraw/zinc/83/65/88/948836588.db2.gz GGCNMTYCIIGJCF-GFCCVEGCSA-N -1 1 386.485 1.682 20 0 GDADMM C[C@H](CNC(=O)CCCc1ccsc1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574918136 948836610 /nfs/dbraw/zinc/83/66/10/948836610.db2.gz GGCNMTYCIIGJCF-GFCCVEGCSA-N -1 1 386.485 1.682 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cccnc1C1CC1 ZINC001574683063 948836890 /nfs/dbraw/zinc/83/68/90/948836890.db2.gz SYYWTQCPNMWFLL-NSHDSACASA-N -1 1 379.428 1.550 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cccnc1C1CC1 ZINC001574683063 948836915 /nfs/dbraw/zinc/83/69/15/948836915.db2.gz SYYWTQCPNMWFLL-NSHDSACASA-N -1 1 379.428 1.550 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)CN(C)c1ccccc1 ZINC001574682882 948838131 /nfs/dbraw/zinc/83/81/31/948838131.db2.gz SGUPSLUYRBFTGP-CYBMUJFWSA-N -1 1 381.444 1.100 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)CN(C)c1ccccc1 ZINC001574682882 948838149 /nfs/dbraw/zinc/83/81/49/948838149.db2.gz SGUPSLUYRBFTGP-CYBMUJFWSA-N -1 1 381.444 1.100 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cc(Cl)cs1 ZINC001574683104 948840830 /nfs/dbraw/zinc/84/08/30/948840830.db2.gz UNVZDLAXMVAMAO-MRVPVSSYSA-N -1 1 378.849 1.992 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cc(Cl)cs1 ZINC001574683104 948840848 /nfs/dbraw/zinc/84/08/48/948840848.db2.gz UNVZDLAXMVAMAO-MRVPVSSYSA-N -1 1 378.849 1.992 20 0 GDADMM CC(C)c1nc(C(=O)NC[C@H](C)N(C)c2ccc(-c3nnn[n-]3)nn2)cs1 ZINC001574424990 948868208 /nfs/dbraw/zinc/86/82/08/948868208.db2.gz ZZAUHHYDYDNOMF-JTQLQIEISA-N -1 1 387.473 1.491 20 0 GDADMM CC(C)c1nc(C(=O)NC[C@H](C)N(C)c2ccc(-c3nn[n-]n3)nn2)cs1 ZINC001574424990 948868221 /nfs/dbraw/zinc/86/82/21/948868221.db2.gz ZZAUHHYDYDNOMF-JTQLQIEISA-N -1 1 387.473 1.491 20 0 GDADMM CC(C)c1nc(C(=O)NCC[C@H](C)Nc2nccnc2-c2nnn[n-]2)cs1 ZINC001574425460 948874069 /nfs/dbraw/zinc/87/40/69/948874069.db2.gz FCVIKXCNLYPSFP-JTQLQIEISA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)c1nc(C(=O)NCC[C@H](C)Nc2nccnc2-c2nn[n-]n2)cs1 ZINC001574425460 948874090 /nfs/dbraw/zinc/87/40/90/948874090.db2.gz FCVIKXCNLYPSFP-JTQLQIEISA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)(C(=O)N1CC[C@H]2[C@@H](CCN2c2ccc(-c3nnn[n-]3)nn2)C1)C1CC1 ZINC001573764696 948892870 /nfs/dbraw/zinc/89/28/70/948892870.db2.gz QORXIFIQDHOGNM-WFASDCNBSA-N -1 1 382.472 1.520 20 0 GDADMM CC(C)(C(=O)N1CC[C@H]2[C@@H](CCN2c2ccc(-c3nn[n-]n3)nn2)C1)C1CC1 ZINC001573764696 948892875 /nfs/dbraw/zinc/89/28/75/948892875.db2.gz QORXIFIQDHOGNM-WFASDCNBSA-N -1 1 382.472 1.520 20 0 GDADMM CC(C)(C(=O)N1CCC[C@@H]2[C@H]1CCN2c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573764922 948892905 /nfs/dbraw/zinc/89/29/05/948892905.db2.gz RMZKSMUCBKQHAN-HUUCEWRRSA-N -1 1 382.472 1.663 20 0 GDADMM CC(C)(C(=O)N1CCC[C@@H]2[C@H]1CCN2c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573764922 948892921 /nfs/dbraw/zinc/89/29/21/948892921.db2.gz RMZKSMUCBKQHAN-HUUCEWRRSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)[C@]1(C)CCOC1 ZINC001574685265 948907349 /nfs/dbraw/zinc/90/73/49/948907349.db2.gz ULPVLIGHWJIUIN-RMLUDKJBSA-N -1 1 385.881 1.710 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)[C@]1(C)CCOC1 ZINC001574685265 948907361 /nfs/dbraw/zinc/90/73/61/948907361.db2.gz ULPVLIGHWJIUIN-RMLUDKJBSA-N -1 1 385.881 1.710 20 0 GDADMM CC(C)(C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001573765549 948911749 /nfs/dbraw/zinc/91/17/49/948911749.db2.gz NFOAXHKFFNEFKL-HNNXBMFYSA-N -1 1 392.467 1.459 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575235211 948916266 /nfs/dbraw/zinc/91/62/66/948916266.db2.gz LGTUYVIVUBCJNF-NSHDSACASA-N -1 1 380.403 1.743 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575235211 948916277 /nfs/dbraw/zinc/91/62/77/948916277.db2.gz LGTUYVIVUBCJNF-NSHDSACASA-N -1 1 380.403 1.743 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@@]2(C)C1)C(F)F ZINC001573765965 948930879 /nfs/dbraw/zinc/93/08/79/948930879.db2.gz ROIVUYWOKWMVDE-QGHHPUGFSA-N -1 1 392.414 1.233 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@@]2(C)C1)C(F)F ZINC001573765965 948930893 /nfs/dbraw/zinc/93/08/93/948930893.db2.gz ROIVUYWOKWMVDE-QGHHPUGFSA-N -1 1 392.414 1.233 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1nccnc1-c1nnn[n-]1 ZINC001575236120 948934024 /nfs/dbraw/zinc/93/40/24/948934024.db2.gz WHRUFJAJXPGMLK-NEPJUHHUSA-N -1 1 392.414 1.662 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1nccnc1-c1nn[n-]n1 ZINC001575236120 948934036 /nfs/dbraw/zinc/93/40/36/948934036.db2.gz WHRUFJAJXPGMLK-NEPJUHHUSA-N -1 1 392.414 1.662 20 0 GDADMM CC(F)(F)CCC(=O)NC1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575236061 948935208 /nfs/dbraw/zinc/93/52/08/948935208.db2.gz UHTGRBZQLZJMIM-UHFFFAOYSA-N -1 1 380.403 1.567 20 0 GDADMM CC(F)(F)CCC(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575236169 948938524 /nfs/dbraw/zinc/93/85/24/948938524.db2.gz WTHJPVUDTQYMJX-NSHDSACASA-N -1 1 380.403 1.307 20 0 GDADMM C[C@@H](CNC(=O)CCn1cccn1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574923166 948939819 /nfs/dbraw/zinc/93/98/19/948939819.db2.gz FXHBNKKFJFGJMV-QMMMGPOBSA-N -1 1 381.853 1.180 20 0 GDADMM C[C@@H](CNC(=O)CCn1cccn1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574923166 948939830 /nfs/dbraw/zinc/93/98/30/948939830.db2.gz FXHBNKKFJFGJMV-QMMMGPOBSA-N -1 1 381.853 1.180 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C(F)F ZINC001573771667 948944813 /nfs/dbraw/zinc/94/48/13/948944813.db2.gz KKUYQJFATGAQCA-NXEZZACHSA-N -1 1 380.403 1.787 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C(F)F ZINC001573771667 948944824 /nfs/dbraw/zinc/94/48/24/948944824.db2.gz KKUYQJFATGAQCA-NXEZZACHSA-N -1 1 380.403 1.787 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCOCC1 ZINC001574089174 948945706 /nfs/dbraw/zinc/94/57/06/948945706.db2.gz GYNIRAOYKBDIDM-QWHCGFSZSA-N -1 1 386.460 1.026 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCOCC1 ZINC001574089174 948945720 /nfs/dbraw/zinc/94/57/20/948945720.db2.gz GYNIRAOYKBDIDM-QWHCGFSZSA-N -1 1 386.460 1.026 20 0 GDADMM CC(C)(C(=O)NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001573771900 948948853 /nfs/dbraw/zinc/94/88/53/948948853.db2.gz NWROHGYJFJEYSL-UHFFFAOYSA-N -1 1 392.467 1.363 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575238434 948954039 /nfs/dbraw/zinc/95/40/39/948954039.db2.gz NIIYVJRSXCKNHM-MNOVXSKESA-N -1 1 380.403 1.931 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575238434 948954050 /nfs/dbraw/zinc/95/40/50/948954050.db2.gz NIIYVJRSXCKNHM-MNOVXSKESA-N -1 1 380.403 1.931 20 0 GDADMM CC(C)[C@@H]1C[C@H](CC(=O)N(C)CCNc2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001574089621 948963775 /nfs/dbraw/zinc/96/37/75/948963775.db2.gz GBDIUWBZHHNZCD-HIFRSBDPSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)[C@@H]1C[C@H](CC(=O)N(C)CCNc2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001574089621 948963788 /nfs/dbraw/zinc/96/37/88/948963788.db2.gz GBDIUWBZHHNZCD-HIFRSBDPSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)(C(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1ccccc1 ZINC001573772610 948965075 /nfs/dbraw/zinc/96/50/75/948965075.db2.gz WCJWFPXPXLBDRG-HNNXBMFYSA-N -1 1 392.467 1.363 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CCCCC1 ZINC001573773309 948980319 /nfs/dbraw/zinc/98/03/19/948980319.db2.gz KDYHVNXDLHXRLO-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CCCCC1 ZINC001573773309 948980334 /nfs/dbraw/zinc/98/03/34/948980334.db2.gz KDYHVNXDLHXRLO-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@H](C)c1ccncc1 ZINC001574689347 948984538 /nfs/dbraw/zinc/98/45/38/948984538.db2.gz GKCKUKWSWIQUHN-QWHCGFSZSA-N -1 1 381.444 1.552 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@H](C)c1ccncc1 ZINC001574689347 948984551 /nfs/dbraw/zinc/98/45/51/948984551.db2.gz GKCKUKWSWIQUHN-QWHCGFSZSA-N -1 1 381.444 1.552 20 0 GDADMM CC(C)(C(=O)NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C1CCCC1 ZINC001573773650 948990151 /nfs/dbraw/zinc/99/01/51/948990151.db2.gz OLPNBBBXRXAMDB-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C1CCCC1 ZINC001573773650 948990164 /nfs/dbraw/zinc/99/01/64/948990164.db2.gz OLPNBBBXRXAMDB-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)NC1CC2(C1)CC(Nc1nccnc1-c1nnn[n-]1)C2 ZINC001574090542 948991217 /nfs/dbraw/zinc/99/12/17/948991217.db2.gz LFJLRTWRRQNUSY-LKRWXEKCSA-N -1 1 382.472 1.788 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)NC1CC2(C1)CC(Nc1nccnc1-c1nn[n-]n1)C2 ZINC001574090542 948991236 /nfs/dbraw/zinc/99/12/36/948991236.db2.gz LFJLRTWRRQNUSY-LKRWXEKCSA-N -1 1 382.472 1.788 20 0 GDADMM CC(C)(C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCOCC1)C1CC1 ZINC001573773701 948993992 /nfs/dbraw/zinc/99/39/92/948993992.db2.gz DYQAHXRPDNPECN-UHFFFAOYSA-N -1 1 386.460 1.170 20 0 GDADMM CC(C)(C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCOCC1)C1CC1 ZINC001573773701 948994004 /nfs/dbraw/zinc/99/40/04/948994004.db2.gz DYQAHXRPDNPECN-UHFFFAOYSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H](F)Cc1ccccc1 ZINC001574690301 948996804 /nfs/dbraw/zinc/99/68/04/948996804.db2.gz OAZGIEIWASLFQO-TZMCWYRMSA-N -1 1 384.419 1.544 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H](F)Cc1ccccc1 ZINC001574690301 948996817 /nfs/dbraw/zinc/99/68/17/948996817.db2.gz OAZGIEIWASLFQO-TZMCWYRMSA-N -1 1 384.419 1.544 20 0 GDADMM CC(C)[C@H]1C[C@H](C(=O)N(C)CCN(C)c2cnc(-c3nnn[n-]3)cn2)CCO1 ZINC001574091890 949042258 /nfs/dbraw/zinc/04/22/58/949042258.db2.gz MQVFBFDMCYJTKB-UKRRQHHQSA-N -1 1 388.476 1.003 20 0 GDADMM CC(C)[C@H]1C[C@H](C(=O)N(C)CCN(C)c2cnc(-c3nn[n-]n3)cn2)CCO1 ZINC001574091890 949042273 /nfs/dbraw/zinc/04/22/73/949042273.db2.gz MQVFBFDMCYJTKB-UKRRQHHQSA-N -1 1 388.476 1.003 20 0 GDADMM CC(C)(C(=O)NCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C1CCC1 ZINC001573779427 949056829 /nfs/dbraw/zinc/05/68/29/949056829.db2.gz HRRHRWINMWSWAD-UHFFFAOYSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C(=O)NCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C1CCC1 ZINC001573779427 949056853 /nfs/dbraw/zinc/05/68/53/949056853.db2.gz HRRHRWINMWSWAD-UHFFFAOYSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)c1ccncn1 ZINC001574693810 949064838 /nfs/dbraw/zinc/06/48/38/949064838.db2.gz JSTODHZPSNWKFW-ZETCQYMHSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)c1ccncn1 ZINC001574693810 949064857 /nfs/dbraw/zinc/06/48/57/949064857.db2.gz JSTODHZPSNWKFW-ZETCQYMHSA-N -1 1 379.837 1.387 20 0 GDADMM CC(C)c1occc1C(=O)N1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574441496 949064918 /nfs/dbraw/zinc/06/49/18/949064918.db2.gz MOYKCYIJAHYBSW-LBPRGKRZSA-N -1 1 382.428 1.947 20 0 GDADMM CC(C)c1occc1C(=O)N1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574441496 949064941 /nfs/dbraw/zinc/06/49/41/949064941.db2.gz MOYKCYIJAHYBSW-LBPRGKRZSA-N -1 1 382.428 1.947 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C ZINC001574441619 949068878 /nfs/dbraw/zinc/06/88/78/949068878.db2.gz PGMZEJVPWHOQKA-ZWNOBZJWSA-N -1 1 383.416 1.023 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C ZINC001574441619 949068904 /nfs/dbraw/zinc/06/89/04/949068904.db2.gz PGMZEJVPWHOQKA-ZWNOBZJWSA-N -1 1 383.416 1.023 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)Cc1cnoc1 ZINC001574694332 949071791 /nfs/dbraw/zinc/07/17/91/949071791.db2.gz NTAZYPPMLOFVRM-SSDOTTSWSA-N -1 1 382.837 1.514 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)Cc1cnoc1 ZINC001574694332 949071809 /nfs/dbraw/zinc/07/18/09/949071809.db2.gz NTAZYPPMLOFVRM-SSDOTTSWSA-N -1 1 382.837 1.514 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574442189 949091331 /nfs/dbraw/zinc/09/13/31/949091331.db2.gz LKKJRGVMLZKWJZ-LLVKDONJSA-N -1 1 383.416 1.024 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574442189 949091352 /nfs/dbraw/zinc/09/13/52/949091352.db2.gz LKKJRGVMLZKWJZ-LLVKDONJSA-N -1 1 383.416 1.024 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001574695217 949108630 /nfs/dbraw/zinc/10/86/30/949108630.db2.gz FGHLJHUKQDJYAY-VHDGCEQUSA-N -1 1 378.440 1.767 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001574695217 949108640 /nfs/dbraw/zinc/10/86/40/949108640.db2.gz FGHLJHUKQDJYAY-VHDGCEQUSA-N -1 1 378.440 1.767 20 0 GDADMM CC(C)(C(=O)NCCC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001573782067 949117456 /nfs/dbraw/zinc/11/74/56/949117456.db2.gz PSBZGDLRNKKSHI-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)NCCC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001573782067 949117465 /nfs/dbraw/zinc/11/74/65/949117465.db2.gz PSBZGDLRNKKSHI-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)c1occc1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001574446274 949123875 /nfs/dbraw/zinc/12/38/75/949123875.db2.gz MOYGHOVMDQDUAI-YPMHNXCESA-N -1 1 382.428 1.770 20 0 GDADMM CC(C)(C(=O)NCc1ccnc(-c2nnn[n-]2)c1)c1ccc2c(c1)OCCO2 ZINC001573782668 949129008 /nfs/dbraw/zinc/12/90/08/949129008.db2.gz GVGZERTVGNQHMN-UHFFFAOYSA-N -1 1 380.408 1.627 20 0 GDADMM CC(C)(C(=O)NCc1ccnc(-c2nn[n-]n2)c1)c1ccc2c(c1)OCCO2 ZINC001573782668 949129025 /nfs/dbraw/zinc/12/90/25/949129025.db2.gz GVGZERTVGNQHMN-UHFFFAOYSA-N -1 1 380.408 1.627 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N[C@@H](C)CCNc1nccnc1-c1nnn[n-]1 ZINC001574696445 949132303 /nfs/dbraw/zinc/13/23/03/949132303.db2.gz QRGQUYWGGNKXGA-NSHDSACASA-N -1 1 384.448 1.134 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N[C@@H](C)CCNc1nccnc1-c1nn[n-]n1 ZINC001574696445 949132315 /nfs/dbraw/zinc/13/23/15/949132315.db2.gz QRGQUYWGGNKXGA-NSHDSACASA-N -1 1 384.448 1.134 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1ocnc1C(F)F ZINC001574696477 949133255 /nfs/dbraw/zinc/13/32/55/949133255.db2.gz RLCOYJQUQZBPNQ-ZETCQYMHSA-N -1 1 379.331 1.203 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1ocnc1C(F)F ZINC001574696477 949133275 /nfs/dbraw/zinc/13/32/75/949133275.db2.gz RLCOYJQUQZBPNQ-ZETCQYMHSA-N -1 1 379.331 1.203 20 0 GDADMM CC(C)(C(=O)N[C@H]1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CC1)C(F)F ZINC001573786958 949158674 /nfs/dbraw/zinc/15/86/74/949158674.db2.gz KBKDMXPPYQNBMZ-MGCOHNPYSA-N -1 1 380.403 1.787 20 0 GDADMM CC(C)(C(=O)N[C@H]1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CC1)C(F)F ZINC001573786958 949158685 /nfs/dbraw/zinc/15/86/85/949158685.db2.gz KBKDMXPPYQNBMZ-MGCOHNPYSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H](C)Oc1ccccc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574697744 949159953 /nfs/dbraw/zinc/15/99/53/949159953.db2.gz BMOFYJVYCSASEO-STQMWFEESA-N -1 1 382.428 1.383 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H](C)Oc1ccccc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574697744 949159965 /nfs/dbraw/zinc/15/99/65/949159965.db2.gz BMOFYJVYCSASEO-STQMWFEESA-N -1 1 382.428 1.383 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@H](Nc1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001574447485 949161448 /nfs/dbraw/zinc/16/14/48/949161448.db2.gz PSTCTCCWYLXJRV-NSHDSACASA-N -1 1 385.432 1.635 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@H](Nc1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001574447485 949161457 /nfs/dbraw/zinc/16/14/57/949161457.db2.gz PSTCTCCWYLXJRV-NSHDSACASA-N -1 1 385.432 1.635 20 0 GDADMM C[C@@H](CNC(=O)COc1ccc(F)cc1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574934666 949170778 /nfs/dbraw/zinc/17/07/78/949170778.db2.gz NMNKCSPTBKWTQQ-LLVKDONJSA-N -1 1 386.391 1.039 20 0 GDADMM C[C@@H](CNC(=O)COc1ccc(F)cc1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574934666 949170794 /nfs/dbraw/zinc/17/07/94/949170794.db2.gz NMNKCSPTBKWTQQ-LLVKDONJSA-N -1 1 386.391 1.039 20 0 GDADMM C[C@H](CNC(=O)COc1ccc(F)cc1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574934667 949171508 /nfs/dbraw/zinc/17/15/08/949171508.db2.gz NMNKCSPTBKWTQQ-NSHDSACASA-N -1 1 386.391 1.039 20 0 GDADMM C[C@H](CNC(=O)COc1ccc(F)cc1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574934667 949171525 /nfs/dbraw/zinc/17/15/25/949171525.db2.gz NMNKCSPTBKWTQQ-NSHDSACASA-N -1 1 386.391 1.039 20 0 GDADMM C[C@H](NC(=O)C(C)(C)C1CC1)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575253007 949174671 /nfs/dbraw/zinc/17/46/71/949174671.db2.gz RJGSGWIMEWWWMH-STQMWFEESA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](NC(=O)C(C)(C)C1CC1)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575253007 949174657 /nfs/dbraw/zinc/17/46/57/949174657.db2.gz RJGSGWIMEWWWMH-STQMWFEESA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](NC(=O)C1(F)CCCC1)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575253490 949188823 /nfs/dbraw/zinc/18/88/23/949188823.db2.gz KDBXCMYKTPJLKF-STQMWFEESA-N -1 1 388.451 1.660 20 0 GDADMM C[C@H](NC(=O)C1(F)CCCC1)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575253490 949188839 /nfs/dbraw/zinc/18/88/39/949188839.db2.gz KDBXCMYKTPJLKF-STQMWFEESA-N -1 1 388.451 1.660 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(F)cc1Cl)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574935298 949194477 /nfs/dbraw/zinc/19/44/77/949194477.db2.gz ACKOJHXFUFGJEU-SECBINFHSA-N -1 1 390.810 1.030 20 0 GDADMM C[C@H](NC(=O)C1(C)CCCC1)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575253692 949195291 /nfs/dbraw/zinc/19/52/91/949195291.db2.gz LGPPSRLDXRTVRG-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](NC(=O)C1(C)CCCC1)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575253692 949195281 /nfs/dbraw/zinc/19/52/81/949195281.db2.gz LGPPSRLDXRTVRG-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)c1oncc1C(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574449376 949196945 /nfs/dbraw/zinc/19/69/45/949196945.db2.gz QCCRZTARVPKLHW-UHFFFAOYSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1oncc1C(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574449376 949196957 /nfs/dbraw/zinc/19/69/57/949196957.db2.gz QCCRZTARVPKLHW-UHFFFAOYSA-N -1 1 383.416 1.389 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(F)cc1F)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574935362 949202193 /nfs/dbraw/zinc/20/21/93/949202193.db2.gz AUNTZDFWQSHAPC-JTQLQIEISA-N -1 1 388.382 1.119 20 0 GDADMM CC(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574102729 949204576 /nfs/dbraw/zinc/20/45/76/949204576.db2.gz ACYDQZSPFBOGSV-YXWQFLTLSA-N -1 1 382.472 1.376 20 0 GDADMM CC(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574102729 949204593 /nfs/dbraw/zinc/20/45/93/949204593.db2.gz ACYDQZSPFBOGSV-YXWQFLTLSA-N -1 1 382.472 1.376 20 0 GDADMM C[C@H](CNC(=O)Cc1cc(F)ccc1F)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574935610 949206107 /nfs/dbraw/zinc/20/61/07/949206107.db2.gz DKSNWOBPXFVBJR-JTQLQIEISA-N -1 1 388.382 1.342 20 0 GDADMM C[C@H](CNC(=O)Cc1cc(F)ccc1F)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574935610 949206121 /nfs/dbraw/zinc/20/61/21/949206121.db2.gz DKSNWOBPXFVBJR-JTQLQIEISA-N -1 1 388.382 1.342 20 0 GDADMM CC(C)c1oncc1C(=O)N(C)CCCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574450283 949212048 /nfs/dbraw/zinc/21/20/48/949212048.db2.gz ZAYJXUHXVJRDGP-UHFFFAOYSA-N -1 1 385.432 1.367 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(F)c(Cl)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574936607 949214469 /nfs/dbraw/zinc/21/44/69/949214469.db2.gz JJWURSDOGFFKKQ-VIFPVBQESA-N -1 1 390.810 1.030 20 0 GDADMM CC(C)c1scnc1C(=O)N(C)[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574451118 949218888 /nfs/dbraw/zinc/21/88/88/949218888.db2.gz CKYAWZNKEKFLCA-JTQLQIEISA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)c1scnc1C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574451118 949218908 /nfs/dbraw/zinc/21/89/08/949218908.db2.gz CKYAWZNKEKFLCA-JTQLQIEISA-N -1 1 387.473 1.809 20 0 GDADMM C[C@@H]1CCC[C@H](OCC(=O)N(C)CCN(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001576151468 949219778 /nfs/dbraw/zinc/21/97/78/949219778.db2.gz FQONMHRLLINGOJ-KGLIPLIRSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@@H]1CCC[C@H](OCC(=O)N(C)CCN(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001576151468 949219803 /nfs/dbraw/zinc/21/98/03/949219803.db2.gz FQONMHRLLINGOJ-KGLIPLIRSA-N -1 1 388.476 1.147 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@H](C)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574451229 949219956 /nfs/dbraw/zinc/21/99/56/949219956.db2.gz HRGCTHJPINAUET-VHSXEESVSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@H](C)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574451229 949219979 /nfs/dbraw/zinc/21/99/79/949219979.db2.gz HRGCTHJPINAUET-VHSXEESVSA-N -1 1 387.473 1.856 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H](C)Oc1ccccc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574699748 949243036 /nfs/dbraw/zinc/24/30/36/949243036.db2.gz WHOHGRKIXATKIV-STQMWFEESA-N -1 1 382.428 1.383 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H](C)Oc1ccccc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574699748 949243057 /nfs/dbraw/zinc/24/30/57/949243057.db2.gz WHOHGRKIXATKIV-STQMWFEESA-N -1 1 382.428 1.383 20 0 GDADMM CC1(c2ccccc2C(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575856198 949245224 /nfs/dbraw/zinc/24/52/24/949245224.db2.gz DPOSRJXAZQCRHP-BETUJISGSA-N -1 1 390.451 1.503 20 0 GDADMM CC(C)n1cc(C(=O)N2C[C@@H](C)[C@H](Nc3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001574451916 949247897 /nfs/dbraw/zinc/24/78/97/949247897.db2.gz AGBCQJDVRUZWEQ-DGCLKSJQSA-N -1 1 382.432 1.007 20 0 GDADMM CC(C)n1cc(C(=O)N2C[C@@H](C)[C@H](Nc3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001574451916 949247918 /nfs/dbraw/zinc/24/79/18/949247918.db2.gz AGBCQJDVRUZWEQ-DGCLKSJQSA-N -1 1 382.432 1.007 20 0 GDADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)C2CCC(F)CC2)CC1 ZINC001575857135 949258841 /nfs/dbraw/zinc/25/88/41/949258841.db2.gz OCTVOHYYTKXUTE-UHFFFAOYSA-N -1 1 388.451 1.978 20 0 GDADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)C2CCC(F)CC2)CC1 ZINC001575857135 949258863 /nfs/dbraw/zinc/25/88/63/949258863.db2.gz OCTVOHYYTKXUTE-UHFFFAOYSA-N -1 1 388.451 1.978 20 0 GDADMM CC(C)n1cc(C(=O)N2CC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001574452233 949260888 /nfs/dbraw/zinc/26/08/88/949260888.db2.gz HDIPQLWJZFWZHD-GFCCVEGCSA-N -1 1 382.432 1.008 20 0 GDADMM CC(C)n1cc(C(=O)N2CC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001574452233 949260910 /nfs/dbraw/zinc/26/09/10/949260910.db2.gz HDIPQLWJZFWZHD-GFCCVEGCSA-N -1 1 382.432 1.008 20 0 GDADMM CC(C)CC(=O)N1CCC(OCCCNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574106094 949269507 /nfs/dbraw/zinc/26/95/07/949269507.db2.gz DRBLDXNOQHUUBV-UHFFFAOYSA-N -1 1 388.476 1.512 20 0 GDADMM CC(C)CC(=O)N1CCC(OCCCNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574106094 949269538 /nfs/dbraw/zinc/26/95/38/949269538.db2.gz DRBLDXNOQHUUBV-UHFFFAOYSA-N -1 1 388.476 1.512 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc2c(c1)CCC2)CNc1nccnc1-c1nnn[n-]1 ZINC001574940647 949271893 /nfs/dbraw/zinc/27/18/93/949271893.db2.gz ICXKDOZILJRDBL-ZDUSSCGKSA-N -1 1 392.467 1.552 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc2c(c1)CCC2)CNc1nccnc1-c1nn[n-]n1 ZINC001574940647 949271920 /nfs/dbraw/zinc/27/19/20/949271920.db2.gz ICXKDOZILJRDBL-ZDUSSCGKSA-N -1 1 392.467 1.552 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(C2CC2)c1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574940631 949275329 /nfs/dbraw/zinc/27/53/29/949275329.db2.gz HSEVSTYMUBZYKH-ZDUSSCGKSA-N -1 1 392.467 1.941 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(C2CC2)c1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574940631 949275351 /nfs/dbraw/zinc/27/53/51/949275351.db2.gz HSEVSTYMUBZYKH-ZDUSSCGKSA-N -1 1 392.467 1.941 20 0 GDADMM C[C@@H]1CCC[C@@H](OCC(=O)NCC2(Nc3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001576153123 949276241 /nfs/dbraw/zinc/27/62/41/949276241.db2.gz KVCMVFSSCZKKOK-CHWSQXEVSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H]1CCC[C@@H](OCC(=O)NCC2(Nc3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001576153123 949276265 /nfs/dbraw/zinc/27/62/65/949276265.db2.gz KVCMVFSSCZKKOK-CHWSQXEVSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H]1CCC[C@H](C(=O)NCCCN(c2nccnc2-c2nnn[n-]2)C2CC2)C1 ZINC001576153336 949282179 /nfs/dbraw/zinc/28/21/79/949282179.db2.gz LZKBCQTXEIBGTH-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCC[C@H](C(=O)NCCCN(c2nccnc2-c2nn[n-]n2)C2CC2)C1 ZINC001576153336 949282191 /nfs/dbraw/zinc/28/21/91/949282191.db2.gz LZKBCQTXEIBGTH-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc2c(c1)CCC2)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574941081 949291464 /nfs/dbraw/zinc/29/14/64/949291464.db2.gz NXZCUCYPWCQOKE-ZDUSSCGKSA-N -1 1 392.467 1.329 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc2c(c1)CCC2)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574941081 949291487 /nfs/dbraw/zinc/29/14/87/949291487.db2.gz NXZCUCYPWCQOKE-ZDUSSCGKSA-N -1 1 392.467 1.329 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccoc1 ZINC001576153742 949294845 /nfs/dbraw/zinc/29/48/45/949294845.db2.gz AMINPLMAUODZQM-KZULUSFZSA-N -1 1 382.428 1.462 20 0 GDADMM C[C@@H]1CCC[C@H]1CC(=O)NCC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001576153754 949296500 /nfs/dbraw/zinc/29/65/00/949296500.db2.gz ATPVAMGSLBQJKN-HIFRSBDPSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H]1CCC[C@H]1CC(=O)NCC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001576153754 949296518 /nfs/dbraw/zinc/29/65/18/949296518.db2.gz ATPVAMGSLBQJKN-HIFRSBDPSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccoc1 ZINC001576153744 949296750 /nfs/dbraw/zinc/29/67/50/949296750.db2.gz AMINPLMAUODZQM-XIKOKIGWSA-N -1 1 382.428 1.462 20 0 GDADMM C[C@@H](NC(=O)C1CC(F)(F)C1)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575258315 949298039 /nfs/dbraw/zinc/29/80/39/949298039.db2.gz GUCZVTLLZPDPQR-MNOVXSKESA-N -1 1 392.414 1.423 20 0 GDADMM C[C@@H](NC(=O)C1CC(F)(F)C1)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575258315 949298060 /nfs/dbraw/zinc/29/80/60/949298060.db2.gz GUCZVTLLZPDPQR-MNOVXSKESA-N -1 1 392.414 1.423 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccccc1Cl)CNc1nccnc1-c1nnn[n-]1 ZINC001574941404 949299518 /nfs/dbraw/zinc/29/95/18/949299518.db2.gz QAHNUQSIKHDDSO-NSHDSACASA-N -1 1 386.847 1.717 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccccc1Cl)CNc1nccnc1-c1nn[n-]n1 ZINC001574941404 949299535 /nfs/dbraw/zinc/29/95/35/949299535.db2.gz QAHNUQSIKHDDSO-NSHDSACASA-N -1 1 386.847 1.717 20 0 GDADMM C[C@H](NC(=O)C1CC(C)(C)C1)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575258495 949303169 /nfs/dbraw/zinc/30/31/69/949303169.db2.gz IFFULXZRFFFEBB-STQMWFEESA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](NC(=O)C1CC(C)(C)C1)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575258495 949303193 /nfs/dbraw/zinc/30/31/93/949303193.db2.gz IFFULXZRFFFEBB-STQMWFEESA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)CC(=O)N1CCO[C@H](CNc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001574109763 949330110 /nfs/dbraw/zinc/33/01/10/949330110.db2.gz CXHNPZVVJZIDPT-SECBINFHSA-N -1 1 385.881 1.662 20 0 GDADMM CC(C)CC(=O)N1CCO[C@H](CNc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001574109763 949330126 /nfs/dbraw/zinc/33/01/26/949330126.db2.gz CXHNPZVVJZIDPT-SECBINFHSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@H](CN(C)C(=O)C1(Cc2ccccc2)CC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574703772 949347939 /nfs/dbraw/zinc/34/79/39/949347939.db2.gz YCBADWSQGYNVNH-CQSZACIVSA-N -1 1 392.467 1.938 20 0 GDADMM C[C@H](CN(C)C(=O)C1(Cc2ccccc2)CC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574703772 949347964 /nfs/dbraw/zinc/34/79/64/949347964.db2.gz YCBADWSQGYNVNH-CQSZACIVSA-N -1 1 392.467 1.938 20 0 GDADMM C[C@@H](NC(=O)C1=COCCO1)[C@@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575260880 949364476 /nfs/dbraw/zinc/36/44/76/949364476.db2.gz YEZVTSQIGSKIJX-RNFRBKRXSA-N -1 1 385.837 1.170 20 0 GDADMM CC(C)n1ccc(C(=O)N[C@H]2C[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001574460365 949373679 /nfs/dbraw/zinc/37/36/79/949373679.db2.gz TZUCFZRJZJTDID-HAQNSBGRSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1ccc(C(=O)N[C@H]2C[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001574460365 949373701 /nfs/dbraw/zinc/37/37/01/949373701.db2.gz TZUCFZRJZJTDID-HAQNSBGRSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)CC(=O)N[C@@H]1[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)[C@H]2C1(C)C ZINC001574112597 949388515 /nfs/dbraw/zinc/38/85/15/949388515.db2.gz LGLJHTVBAZMYBG-DAXOMENPSA-N -1 1 384.488 1.812 20 0 GDADMM C[C@@H](CNC(=O)Cc1cnoc1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574944392 949391443 /nfs/dbraw/zinc/39/14/43/949391443.db2.gz CNSARGNEECOFOS-ZETCQYMHSA-N -1 1 382.837 1.372 20 0 GDADMM C[C@@H](CNC(=O)Cc1cnoc1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574944392 949391466 /nfs/dbraw/zinc/39/14/66/949391466.db2.gz CNSARGNEECOFOS-ZETCQYMHSA-N -1 1 382.837 1.372 20 0 GDADMM CC(C)(C)C(=O)N[C@@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C[C@@H]1O ZINC001573800621 949398713 /nfs/dbraw/zinc/39/87/13/949398713.db2.gz ZYDLRSPEITVPLU-SFYZADRCSA-N -1 1 385.881 1.079 20 0 GDADMM CC(C)(C)C(=O)N[C@@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C[C@@H]1O ZINC001573800621 949398735 /nfs/dbraw/zinc/39/87/35/949398735.db2.gz ZYDLRSPEITVPLU-SFYZADRCSA-N -1 1 385.881 1.079 20 0 GDADMM C[C@@H](NC(=O)CC(C)(F)F)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575263412 949398838 /nfs/dbraw/zinc/39/88/38/949398838.db2.gz GXFSALPHDBGTFQ-GHMZBOCLSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](NC(=O)CC(C)(F)F)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575263412 949398862 /nfs/dbraw/zinc/39/88/62/949398862.db2.gz GXFSALPHDBGTFQ-GHMZBOCLSA-N -1 1 380.403 1.423 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001574464558 949417176 /nfs/dbraw/zinc/41/71/76/949417176.db2.gz LQIHQQOOQIUSKQ-ZDUSSCGKSA-N -1 1 381.444 1.660 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001574464558 949417190 /nfs/dbraw/zinc/41/71/90/949417190.db2.gz LQIHQQOOQIUSKQ-ZDUSSCGKSA-N -1 1 381.444 1.660 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001574465105 949429495 /nfs/dbraw/zinc/42/94/95/949429495.db2.gz NRPAURYNSNSRND-ZDUSSCGKSA-N -1 1 381.444 1.082 20 0 GDADMM CC(C)(C)C(=O)NC[C@H]1Cc2ccccc2CN1c1cncc(-c2nnn[n-]2)n1 ZINC001573802897 949429492 /nfs/dbraw/zinc/42/94/92/949429492.db2.gz LATIPPHGSPIDBQ-OAHLLOKOSA-N -1 1 392.467 1.750 20 0 GDADMM CC(C)(C)C(=O)NC[C@H]1Cc2ccccc2CN1c1cncc(-c2nn[n-]n2)n1 ZINC001573802897 949429503 /nfs/dbraw/zinc/42/95/03/949429503.db2.gz LATIPPHGSPIDBQ-OAHLLOKOSA-N -1 1 392.467 1.750 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CC(C)(C)O ZINC001576156191 949435923 /nfs/dbraw/zinc/43/59/23/949435923.db2.gz MCVACSKZIGEDMD-KPZWWZAWSA-N -1 1 388.476 1.295 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CC(C)(C)O ZINC001576156191 949435939 /nfs/dbraw/zinc/43/59/39/949435939.db2.gz MCVACSKZIGEDMD-KPZWWZAWSA-N -1 1 388.476 1.295 20 0 GDADMM C[C@@H]1CCC[C@H](OCC(=O)N(C)CCN(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576156458 949444866 /nfs/dbraw/zinc/44/48/66/949444866.db2.gz YNCSQXBKJRDGET-KGLIPLIRSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@@H]1CCC[C@H](OCC(=O)N(C)CCN(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576156458 949444885 /nfs/dbraw/zinc/44/48/85/949444885.db2.gz YNCSQXBKJRDGET-KGLIPLIRSA-N -1 1 388.476 1.147 20 0 GDADMM CC(C)(C)C(=O)NC[C@H]1Cc2ccccc2CN1c1cnc(-c2nnn[n-]2)cn1 ZINC001573803875 949452910 /nfs/dbraw/zinc/45/29/10/949452910.db2.gz VVZFEGIBHACQLZ-OAHLLOKOSA-N -1 1 392.467 1.750 20 0 GDADMM CC(C)(C)C(=O)NC[C@H]1Cc2ccccc2CN1c1cnc(-c2nn[n-]n2)cn1 ZINC001573803875 949452920 /nfs/dbraw/zinc/45/29/20/949452920.db2.gz VVZFEGIBHACQLZ-OAHLLOKOSA-N -1 1 392.467 1.750 20 0 GDADMM CC(C)(C)C(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCC1(F)F ZINC001573803986 949460890 /nfs/dbraw/zinc/46/08/90/949460890.db2.gz ZDXBUIPBPKSQHD-SNVBAGLBSA-N -1 1 380.403 1.281 20 0 GDADMM CC(C)(C)C(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCC1(F)F ZINC001573803986 949460913 /nfs/dbraw/zinc/46/09/13/949460913.db2.gz ZDXBUIPBPKSQHD-SNVBAGLBSA-N -1 1 380.403 1.281 20 0 GDADMM CC(C)n1nccc1C(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574468802 949467279 /nfs/dbraw/zinc/46/72/79/949467279.db2.gz RTAVCJNRLAKCRI-LBPRGKRZSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1nccc1C(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574468802 949467287 /nfs/dbraw/zinc/46/72/87/949467287.db2.gz RTAVCJNRLAKCRI-LBPRGKRZSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@@H](NC(=O)CCC(F)F)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575266258 949473534 /nfs/dbraw/zinc/47/35/34/949473534.db2.gz CJESOAKOCPWEKP-MNOVXSKESA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](NC(=O)CCC(F)F)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575266258 949473547 /nfs/dbraw/zinc/47/35/47/949473547.db2.gz CJESOAKOCPWEKP-MNOVXSKESA-N -1 1 380.403 1.423 20 0 GDADMM CC(C)(C)C(=O)Nc1nccnc1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001573805961 949479412 /nfs/dbraw/zinc/47/94/12/949479412.db2.gz FYLDXXICSSEPRZ-UHFFFAOYSA-N -1 1 386.441 1.633 20 0 GDADMM CC(C)(C)C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1c1ccccc1 ZINC001573806143 949481213 /nfs/dbraw/zinc/48/12/13/949481213.db2.gz HEJVCAPCKWFWMT-GOEBONIOSA-N -1 1 392.467 1.791 20 0 GDADMM CC(C)(C)C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1c1ccccc1 ZINC001573806143 949481221 /nfs/dbraw/zinc/48/12/21/949481221.db2.gz HEJVCAPCKWFWMT-GOEBONIOSA-N -1 1 392.467 1.791 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2(C(F)F)CCC2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575870279 949486694 /nfs/dbraw/zinc/48/66/94/949486694.db2.gz UGBZMSFVMFSYMU-QWRGUYRKSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2(C(F)F)CCC2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575870279 949486704 /nfs/dbraw/zinc/48/67/04/949486704.db2.gz UGBZMSFVMFSYMU-QWRGUYRKSA-N -1 1 392.414 1.566 20 0 GDADMM CC(C)CC(=O)NC[C@@H]1c2ccccc2CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001574119778 949496935 /nfs/dbraw/zinc/49/69/35/949496935.db2.gz JDZSGQITLRFCEE-QGZVFWFLSA-N -1 1 392.467 1.923 20 0 GDADMM CC(C)CC(=O)NC[C@@H]1c2ccccc2CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001574119778 949496945 /nfs/dbraw/zinc/49/69/45/949496945.db2.gz JDZSGQITLRFCEE-QGZVFWFLSA-N -1 1 392.467 1.923 20 0 GDADMM CC(C)n1nccc1C(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001574470381 949499386 /nfs/dbraw/zinc/49/93/86/949499386.db2.gz OJSMWSYHOWWEEQ-ZDUSSCGKSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1nccc1C(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001574470381 949499402 /nfs/dbraw/zinc/49/94/02/949499402.db2.gz OJSMWSYHOWWEEQ-ZDUSSCGKSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccco1 ZINC001576158791 949499851 /nfs/dbraw/zinc/49/98/51/949499851.db2.gz UNIVVWXWWUJUDZ-KPZWWZAWSA-N -1 1 382.428 1.462 20 0 GDADMM C[C@@H]1CCCC[C@@H]1C(=O)N(C)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001576158868 949504903 /nfs/dbraw/zinc/50/49/03/949504903.db2.gz VJGMCONXNYLJBK-HIFRSBDPSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCCC[C@@H]1C(=O)N(C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001576158868 949504917 /nfs/dbraw/zinc/50/49/17/949504917.db2.gz VJGMCONXNYLJBK-HIFRSBDPSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](CNC(=O)[C@@H](C)Cc1ccccc1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574949829 949513862 /nfs/dbraw/zinc/51/38/62/949513862.db2.gz DWHGLZGUERTISH-KGLIPLIRSA-N -1 1 380.456 1.122 20 0 GDADMM CC1(C(=O)N2CCC[C@H]([C@@H]3CCN(c4ccc(-c5nnn[n-]5)nn4)C3)C2)CC1 ZINC001575538219 949517988 /nfs/dbraw/zinc/51/79/88/949517988.db2.gz FCJPYUUPWRYUTI-UONOGXRCSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C(=O)N2CCC[C@H]([C@@H]3CCN(c4ccc(-c5nn[n-]n5)nn4)C3)C2)CC1 ZINC001575538219 949518006 /nfs/dbraw/zinc/51/80/06/949518006.db2.gz FCJPYUUPWRYUTI-UONOGXRCSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H](NC(=O)CCC1(C)CC1)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575268729 949528870 /nfs/dbraw/zinc/52/88/70/949528870.db2.gz OLGRLYKYNBOBCP-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CC(=O)NCc1ccc(CNc2ccnc(-c3nn[n-]n3)n2)cc1F ZINC001574123161 949541257 /nfs/dbraw/zinc/54/12/57/949541257.db2.gz JZMOLMQBJPDYPT-UHFFFAOYSA-N -1 1 384.419 1.492 20 0 GDADMM C[C@H]1CCCN(C(=O)C2(F)CCCC2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576164250 949548646 /nfs/dbraw/zinc/54/86/46/949548646.db2.gz FYQDXFOXNQIKDA-JSGCOSHPSA-N -1 1 388.451 1.978 20 0 GDADMM C[C@H]1CCCN(C(=O)C2(F)CCCC2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576164250 949548667 /nfs/dbraw/zinc/54/86/67/949548667.db2.gz FYQDXFOXNQIKDA-JSGCOSHPSA-N -1 1 388.451 1.978 20 0 GDADMM O=C([O-])c1ccccc1C1CCN(C(=O)Nc2nn[nH]c2C(=O)NC2CC2)CC1 ZINC001595250146 949549984 /nfs/dbraw/zinc/54/99/84/949549984.db2.gz BXPMURPYCIEASV-UHFFFAOYSA-N -1 1 398.423 1.807 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C23CCC(CC2)C3)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575872637 949551198 /nfs/dbraw/zinc/55/11/98/949551198.db2.gz KKZKIPXTMGIHQI-PNBPBRNGSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C23CCC(CC2)C3)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575872637 949551211 /nfs/dbraw/zinc/55/12/11/949551211.db2.gz KKZKIPXTMGIHQI-PNBPBRNGSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H]1CCCN(C(=O)C2(CCF)CC2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576164895 949560456 /nfs/dbraw/zinc/56/04/56/949560456.db2.gz IEWVZEJNEDELPG-STQMWFEESA-N -1 1 388.451 1.257 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574475531 949572237 /nfs/dbraw/zinc/57/22/37/949572237.db2.gz BELUELKLZUIFSW-VHSXEESVSA-N -1 1 384.366 1.282 20 0 GDADMM CC1(C(=O)N2CCCC[C@]3(CCN(c4nccnc4-c4nnn[n-]4)C3)C2)CC1 ZINC001575544486 949586632 /nfs/dbraw/zinc/58/66/32/949586632.db2.gz DHIRTWJVIWSSJK-LJQANCHMSA-N -1 1 382.472 1.666 20 0 GDADMM CC1(C(=O)N2CCCC[C@]3(CCN(c4nccnc4-c4nn[n-]n4)C3)C2)CC1 ZINC001575544486 949586656 /nfs/dbraw/zinc/58/66/56/949586656.db2.gz DHIRTWJVIWSSJK-LJQANCHMSA-N -1 1 382.472 1.666 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001574476044 949589931 /nfs/dbraw/zinc/58/99/31/949589931.db2.gz FFBFRBLIASKGDG-STQMWFEESA-N -1 1 382.428 1.481 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001574476044 949589952 /nfs/dbraw/zinc/58/99/52/949589952.db2.gz FFBFRBLIASKGDG-STQMWFEESA-N -1 1 382.428 1.481 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2C=CC=CC=C2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575874100 949600784 /nfs/dbraw/zinc/60/07/84/949600784.db2.gz REGOFPALLXQYQF-ZFWWWQNUSA-N -1 1 378.440 1.429 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2C=CC=CC=C2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575874100 949600797 /nfs/dbraw/zinc/60/07/97/949600797.db2.gz REGOFPALLXQYQF-ZFWWWQNUSA-N -1 1 378.440 1.429 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CCc1ccon1 ZINC001573814242 949639297 /nfs/dbraw/zinc/63/92/97/949639297.db2.gz CECKFQJGKAUVJK-CYBMUJFWSA-N -1 1 385.432 1.220 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CCc1ccon1 ZINC001573814242 949639313 /nfs/dbraw/zinc/63/93/13/949639313.db2.gz CECKFQJGKAUVJK-CYBMUJFWSA-N -1 1 385.432 1.220 20 0 GDADMM C[C@H]1CCCC[C@@H]1OCC(=O)N(C)CCN(C)c1nccnc1-c1nnn[n-]1 ZINC001576168545 949644763 /nfs/dbraw/zinc/64/47/63/949644763.db2.gz VGEYYJAXIIZKRR-KBPBESRZSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@H]1CCCC[C@@H]1OCC(=O)N(C)CCN(C)c1nccnc1-c1nn[n-]n1 ZINC001576168545 949644774 /nfs/dbraw/zinc/64/47/74/949644774.db2.gz VGEYYJAXIIZKRR-KBPBESRZSA-N -1 1 388.476 1.147 20 0 GDADMM CC(C)CC(C)(C)C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001574131454 949662632 /nfs/dbraw/zinc/66/26/32/949662632.db2.gz GJPRDOXBHHRNQZ-ZIAGYGMSSA-N -1 1 386.504 1.918 20 0 GDADMM C[C@H](CN(C)C(=O)CC1(C(F)(F)F)CC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574715846 949669186 /nfs/dbraw/zinc/66/91/86/949669186.db2.gz LIEIIBGOUXACGY-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](CN(C)C(=O)CC1(C(F)(F)F)CC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574715846 949669199 /nfs/dbraw/zinc/66/91/99/949669199.db2.gz LIEIIBGOUXACGY-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](NC(=O)CCCC1CCOCC1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575273776 949672934 /nfs/dbraw/zinc/67/29/34/949672934.db2.gz XZAFOBYNUMBFBG-OLZOCXBDSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@@H](NC(=O)CCCC1CCOCC1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575273776 949672947 /nfs/dbraw/zinc/67/29/47/949672947.db2.gz XZAFOBYNUMBFBG-OLZOCXBDSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H](CC(=O)N(C)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001574477760 949675280 /nfs/dbraw/zinc/67/52/80/949675280.db2.gz UUVHQBCGMPBDGS-GDBMZVCRSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@H](CC(=O)N(C)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574477760 949675290 /nfs/dbraw/zinc/67/52/90/949675290.db2.gz UUVHQBCGMPBDGS-GDBMZVCRSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@@H](CC(=O)N(C)CCCN(C)c1cncc(-c2nnn[n-]2)n1)[C@H]1CCCO1 ZINC001574477885 949684088 /nfs/dbraw/zinc/68/40/88/949684088.db2.gz WABBADSTQDYGTI-DZGCQCFKSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@@H](CC(=O)N(C)CCCN(C)c1cncc(-c2nn[n-]n2)n1)[C@H]1CCCO1 ZINC001574477885 949684104 /nfs/dbraw/zinc/68/41/04/949684104.db2.gz WABBADSTQDYGTI-DZGCQCFKSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@@H](CC(=O)N(C)CCCN(C)c1ccnc(-c2nn[n-]n2)n1)[C@H]1CCCO1 ZINC001574477970 949688574 /nfs/dbraw/zinc/68/85/74/949688574.db2.gz WNSKLPQRRDMYMQ-UONOGXRCSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@@H]1CCOC1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574716705 949701814 /nfs/dbraw/zinc/70/18/14/949701814.db2.gz LEEYYZWNAYXTLF-BDAKNGLRSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](NC(=O)CCc1ccccc1F)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575276167 949710294 /nfs/dbraw/zinc/71/02/94/949710294.db2.gz HGIZUSJLLRDELQ-VXGBXAGGSA-N -1 1 384.419 1.156 20 0 GDADMM C[C@@H]1CCCN(C(=O)Cc2ccc[nH]2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576170276 949713540 /nfs/dbraw/zinc/71/35/40/949713540.db2.gz JTLKESGPCCACNQ-TZMCWYRMSA-N -1 1 381.444 1.267 20 0 GDADMM C[C@@H]1CCCN(C(=O)Cc2ccc[nH]2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576170276 949713554 /nfs/dbraw/zinc/71/35/54/949713554.db2.gz JTLKESGPCCACNQ-TZMCWYRMSA-N -1 1 381.444 1.267 20 0 GDADMM C[C@@H]1CCCN(C(=O)Cc2ccco2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576170457 949717625 /nfs/dbraw/zinc/71/76/25/949717625.db2.gz KWZMULVOWNPSKE-IUODEOHRSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@@H]1CCCN(C(=O)Cc2ccco2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576170457 949717644 /nfs/dbraw/zinc/71/76/44/949717644.db2.gz KWZMULVOWNPSKE-IUODEOHRSA-N -1 1 382.428 1.531 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C1(C(F)F)CC1 ZINC001573818116 949719543 /nfs/dbraw/zinc/71/95/43/949719543.db2.gz GKYNOWAXRLSHCW-SNVBAGLBSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C1(C(F)F)CC1 ZINC001573818116 949719561 /nfs/dbraw/zinc/71/95/61/949719561.db2.gz GKYNOWAXRLSHCW-SNVBAGLBSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@H](CC(=O)N1CC[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1)C1CC1 ZINC001574479289 949732871 /nfs/dbraw/zinc/73/28/71/949732871.db2.gz DFLWRPACFIRBEH-YJYMSZOUSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H](CC(=O)N1CC[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1)C1CC1 ZINC001574479289 949732896 /nfs/dbraw/zinc/73/28/96/949732896.db2.gz DFLWRPACFIRBEH-YJYMSZOUSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@]1(C(=O)N[C@H](CNc2cncc(-c3nnn[n-]3)n2)C2CCCC2)CCOC1 ZINC001575558339 949738862 /nfs/dbraw/zinc/73/88/62/949738862.db2.gz OUBHENIUBIBHKV-FZKQIMNGSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@]1(C(=O)N[C@H](CNc2cncc(-c3nn[n-]n3)n2)C2CCCC2)CCOC1 ZINC001575558339 949738872 /nfs/dbraw/zinc/73/88/72/949738872.db2.gz OUBHENIUBIBHKV-FZKQIMNGSA-N -1 1 386.460 1.170 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CCc1ccoc1 ZINC001573818712 949740675 /nfs/dbraw/zinc/74/06/75/949740675.db2.gz ONEILIQWNYUXHH-CQSZACIVSA-N -1 1 384.444 1.825 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CCc1ccoc1 ZINC001573818712 949740693 /nfs/dbraw/zinc/74/06/93/949740693.db2.gz ONEILIQWNYUXHH-CQSZACIVSA-N -1 1 384.444 1.825 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC2CCCC2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576170899 949744014 /nfs/dbraw/zinc/74/40/14/949744014.db2.gz OHLNPERTZVEFMP-HIFRSBDPSA-N -1 1 384.488 1.698 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[C@H]1CCCCO1 ZINC001573819285 949750729 /nfs/dbraw/zinc/75/07/29/949750729.db2.gz SIUIWXBYXFMOIV-OCCSQVGLSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[C@H]1CCCCO1 ZINC001573819285 949750745 /nfs/dbraw/zinc/75/07/45/949750745.db2.gz SIUIWXBYXFMOIV-OCCSQVGLSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@@H]1CCCC[C@@H]1CC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001576171139 949753269 /nfs/dbraw/zinc/75/32/69/949753269.db2.gz OVDIJVMODOXXOA-FAHYXWLWSA-N -1 1 382.472 1.424 20 0 GDADMM C[C@@H]1CCCC[C@@H]1CC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001576171139 949753286 /nfs/dbraw/zinc/75/32/86/949753286.db2.gz OVDIJVMODOXXOA-FAHYXWLWSA-N -1 1 382.472 1.424 20 0 GDADMM C[C@@H]1CCCN(C(=O)CCCF)[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576171336 949757380 /nfs/dbraw/zinc/75/73/80/949757380.db2.gz QJIFDWCUHPJGLU-OCCSQVGLSA-N -1 1 376.440 1.836 20 0 GDADMM C[C@@H]1CCCN(C(=O)CCCF)[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576171336 949757392 /nfs/dbraw/zinc/75/73/92/949757392.db2.gz QJIFDWCUHPJGLU-OCCSQVGLSA-N -1 1 376.440 1.836 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CC[C@H]1CCOC1 ZINC001573819806 949759794 /nfs/dbraw/zinc/75/97/94/949759794.db2.gz VOVFNHNWYHHHMO-JSGCOSHPSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CC[C@H]1CCOC1 ZINC001573819806 949759807 /nfs/dbraw/zinc/75/98/07/949759807.db2.gz VOVFNHNWYHHHMO-JSGCOSHPSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@H]1CCCC[C@H]1CC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001576171410 949761476 /nfs/dbraw/zinc/76/14/76/949761476.db2.gz PXIJPXDXQNBQMP-BNIMDDLWSA-N -1 1 382.472 1.424 20 0 GDADMM C[C@H]1CCCC[C@H]1CC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001576171410 949761496 /nfs/dbraw/zinc/76/14/96/949761496.db2.gz PXIJPXDXQNBQMP-BNIMDDLWSA-N -1 1 382.472 1.424 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccc(=O)[nH]c1 ZINC001573821317 949766378 /nfs/dbraw/zinc/76/63/78/949766378.db2.gz AAWLPWQAQNUMIC-LBPRGKRZSA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccc(=O)[nH]c1 ZINC001573821317 949766389 /nfs/dbraw/zinc/76/63/89/949766389.db2.gz AAWLPWQAQNUMIC-LBPRGKRZSA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CCc1ccoc1 ZINC001573821816 949776738 /nfs/dbraw/zinc/77/67/38/949776738.db2.gz DNQLYNGMTPOWGX-ZDUSSCGKSA-N -1 1 384.444 1.825 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CCc1ccoc1 ZINC001573821816 949776765 /nfs/dbraw/zinc/77/67/65/949776765.db2.gz DNQLYNGMTPOWGX-ZDUSSCGKSA-N -1 1 384.444 1.825 20 0 GDADMM C[C@@H]1CCCC[C@@H]1CC(=O)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001576172022 949786847 /nfs/dbraw/zinc/78/68/47/949786847.db2.gz SNIQCPBIWBEMMW-HUUCEWRRSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@@H]1CCCC[C@@H]1CC(=O)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001576172022 949786864 /nfs/dbraw/zinc/78/68/64/949786864.db2.gz SNIQCPBIWBEMMW-HUUCEWRRSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C1CC(F)(F)C1 ZINC001573822545 949791064 /nfs/dbraw/zinc/79/10/64/949791064.db2.gz JLBZNZGFAKSXRJ-JTQLQIEISA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C1CC(F)(F)C1 ZINC001573822545 949791076 /nfs/dbraw/zinc/79/10/76/949791076.db2.gz JLBZNZGFAKSXRJ-JTQLQIEISA-N -1 1 380.403 1.645 20 0 GDADMM C[C@@H]1CCCN(C(=O)COCC2CC2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576172040 949792089 /nfs/dbraw/zinc/79/20/89/949792089.db2.gz UIUGJTKZAWPBTA-IUODEOHRSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H]1CCCN(C(=O)COCC2CC2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576172040 949792102 /nfs/dbraw/zinc/79/21/02/949792102.db2.gz UIUGJTKZAWPBTA-IUODEOHRSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](CNC(=O)[C@H]1C[C@@H]1C(F)F)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001574965202 949793422 /nfs/dbraw/zinc/79/34/22/949793422.db2.gz CYGOQLRGXINTTL-ACZMJKKPSA-N -1 1 391.835 1.819 20 0 GDADMM C[C@@H](CNC(=O)[C@H]1C[C@@H]1C(F)F)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001574965202 949793443 /nfs/dbraw/zinc/79/34/43/949793443.db2.gz CYGOQLRGXINTTL-ACZMJKKPSA-N -1 1 391.835 1.819 20 0 GDADMM CC1(C(=O)N[C@H]2CCC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CC(F)(F)C1 ZINC001575561415 949807253 /nfs/dbraw/zinc/80/72/53/949807253.db2.gz AFZIZSHHUXQTQN-QWRGUYRKSA-N -1 1 392.414 1.931 20 0 GDADMM CC1(C(=O)N[C@H]2CCC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CC(F)(F)C1 ZINC001575561415 949807278 /nfs/dbraw/zinc/80/72/78/949807278.db2.gz AFZIZSHHUXQTQN-QWRGUYRKSA-N -1 1 392.414 1.931 20 0 GDADMM C[C@H](CN(C)C(=O)CCCc1cccnc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574722237 949834140 /nfs/dbraw/zinc/83/41/40/949834140.db2.gz RGDKJQMHRAKJGT-CYBMUJFWSA-N -1 1 381.444 1.333 20 0 GDADMM C[C@H](CN(C)C(=O)CCCc1cccnc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574722237 949834164 /nfs/dbraw/zinc/83/41/64/949834164.db2.gz RGDKJQMHRAKJGT-CYBMUJFWSA-N -1 1 381.444 1.333 20 0 GDADMM CC1(C(=O)N[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)CC2)CC(F)(F)C1 ZINC001575563690 949841985 /nfs/dbraw/zinc/84/19/85/949841985.db2.gz LRRLZDDGNNPOCA-NSHDSACASA-N -1 1 392.414 1.567 20 0 GDADMM CC1(C(=O)N[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)CC2)CC(F)(F)C1 ZINC001575563690 949842006 /nfs/dbraw/zinc/84/20/06/949842006.db2.gz LRRLZDDGNNPOCA-NSHDSACASA-N -1 1 392.414 1.567 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574484037 949854237 /nfs/dbraw/zinc/85/42/37/949854237.db2.gz CTIZUZNXGBOXGH-QWHCGFSZSA-N -1 1 382.428 1.268 20 0 GDADMM C[C@@H](NC(=O)COCC1CC1)[C@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575283138 949861403 /nfs/dbraw/zinc/86/14/03/949861403.db2.gz NQBAZUCKIATPRM-SFYZADRCSA-N -1 1 385.881 1.708 20 0 GDADMM C[C@@H](NC(=O)COCC1CC1)[C@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575283138 949861424 /nfs/dbraw/zinc/86/14/24/949861424.db2.gz NQBAZUCKIATPRM-SFYZADRCSA-N -1 1 385.881 1.708 20 0 GDADMM C[C@@H](NC(=O)Cc1c(F)cccc1F)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575283390 949870949 /nfs/dbraw/zinc/87/09/49/949870949.db2.gz ORCDURUBAFSJTL-NXEZZACHSA-N -1 1 388.382 1.483 20 0 GDADMM C[C@@H](NC(=O)Cc1c(F)cccc1F)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575283390 949870971 /nfs/dbraw/zinc/87/09/71/949870971.db2.gz ORCDURUBAFSJTL-NXEZZACHSA-N -1 1 388.382 1.483 20 0 GDADMM CC1(C(=O)N[C@H]2CCC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)CC(F)(F)C1 ZINC001575565215 949877297 /nfs/dbraw/zinc/87/72/97/949877297.db2.gz UTXSHTLOCCZFCJ-QWRGUYRKSA-N -1 1 392.414 1.931 20 0 GDADMM CC1(C(=O)N[C@H]2CCC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)CC(F)(F)C1 ZINC001575565215 949877319 /nfs/dbraw/zinc/87/73/19/949877319.db2.gz UTXSHTLOCCZFCJ-QWRGUYRKSA-N -1 1 392.414 1.931 20 0 GDADMM C[C@H](NC(=O)COC(C)(C)C)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575283555 949877661 /nfs/dbraw/zinc/87/76/61/949877661.db2.gz POPARYWYWMLQNM-STQMWFEESA-N -1 1 388.476 1.193 20 0 GDADMM C[C@H](NC(=O)COC(C)(C)C)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575283555 949877686 /nfs/dbraw/zinc/87/76/86/949877686.db2.gz POPARYWYWMLQNM-STQMWFEESA-N -1 1 388.476 1.193 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cncs2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576178524 949891614 /nfs/dbraw/zinc/89/16/14/949891614.db2.gz BXKVHVUORNVWQY-JQWIXIFHSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cncs2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576178524 949891626 /nfs/dbraw/zinc/89/16/26/949891626.db2.gz BXKVHVUORNVWQY-JQWIXIFHSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccco2)[C@@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576179320 949911787 /nfs/dbraw/zinc/91/17/87/949911787.db2.gz FITFXIAKIOWPRX-TZMCWYRMSA-N -1 1 382.428 1.993 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccco2)[C@@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576179320 949911808 /nfs/dbraw/zinc/91/18/08/949911808.db2.gz FITFXIAKIOWPRX-TZMCWYRMSA-N -1 1 382.428 1.993 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001574485193 949921497 /nfs/dbraw/zinc/92/14/97/949921497.db2.gz UXUAQXIQVLFCSW-OLZOCXBDSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001574485193 949921515 /nfs/dbraw/zinc/92/15/15/949921515.db2.gz UXUAQXIQVLFCSW-OLZOCXBDSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@]1(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CCc2ccccc21 ZINC001575569841 949932939 /nfs/dbraw/zinc/93/29/39/949932939.db2.gz OXPYOOQSXZLDLY-XOBRGWDASA-N -1 1 390.451 1.256 20 0 GDADMM C[C@]1(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CCc2ccccc21 ZINC001575569841 949932954 /nfs/dbraw/zinc/93/29/54/949932954.db2.gz OXPYOOQSXZLDLY-XOBRGWDASA-N -1 1 390.451 1.256 20 0 GDADMM CC(C)(C)/C=C\C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@]2(C)C1 ZINC001573829294 949952736 /nfs/dbraw/zinc/95/27/36/949952736.db2.gz YDAZEZJFLTYQCM-OOQRHLAZSA-N -1 1 382.472 1.544 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001574488974 949958748 /nfs/dbraw/zinc/95/87/48/949958748.db2.gz HYODPUXBOZTCFD-GUBZILKMSA-N -1 1 382.350 1.035 20 0 GDADMM CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001573829658 949963060 /nfs/dbraw/zinc/96/30/60/949963060.db2.gz AMNMEGXYTOYJQM-GFCCVEGCSA-N -1 1 376.486 1.972 20 0 GDADMM C[C@@H](CN(C)C(=O)COCC1CC1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574727581 949969970 /nfs/dbraw/zinc/96/99/70/949969970.db2.gz VPWWKFCPRXONEF-QMMMGPOBSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](CN(C)C(=O)COCC1CC1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574727581 949969984 /nfs/dbraw/zinc/96/99/84/949969984.db2.gz VPWWKFCPRXONEF-QMMMGPOBSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1cccc(F)c1F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574728625 949995887 /nfs/dbraw/zinc/99/58/87/949995887.db2.gz FQAWRAPPADJOJY-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1cccc(F)c1F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574728625 949995904 /nfs/dbraw/zinc/99/59/04/949995904.db2.gz FQAWRAPPADJOJY-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2ccccc2O)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575891319 950003076 /nfs/dbraw/zinc/00/30/76/950003076.db2.gz HZIWNHJVMDBJQF-AAEUAGOBSA-N -1 1 380.412 1.150 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2ccccc2O)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575891319 950003099 /nfs/dbraw/zinc/00/30/99/950003099.db2.gz HZIWNHJVMDBJQF-AAEUAGOBSA-N -1 1 380.412 1.150 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001574490600 950008571 /nfs/dbraw/zinc/00/85/71/950008571.db2.gz VZPLNVFJAWVTNI-YNEHKIRRSA-N -1 1 382.428 1.702 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001574490600 950008591 /nfs/dbraw/zinc/00/85/91/950008591.db2.gz VZPLNVFJAWVTNI-YNEHKIRRSA-N -1 1 382.428 1.702 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccoc2)[C@@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001576181895 950022255 /nfs/dbraw/zinc/02/22/55/950022255.db2.gz NEKMZUPZAXOZNU-IUODEOHRSA-N -1 1 382.428 1.993 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccoc2)[C@@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001576181895 950022275 /nfs/dbraw/zinc/02/22/75/950022275.db2.gz NEKMZUPZAXOZNU-IUODEOHRSA-N -1 1 382.428 1.993 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1cccc(Cl)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574730402 950030237 /nfs/dbraw/zinc/03/02/37/950030237.db2.gz RXCDNJLMAHUDKP-LLVKDONJSA-N -1 1 386.847 1.234 20 0 GDADMM C[C@@H]1CCN(C(=O)COC(C)(C)C)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576182091 950034365 /nfs/dbraw/zinc/03/43/65/950034365.db2.gz LCBKFWOGXOJDSV-CHWSQXEVSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@@H]1CCN(C(=O)COC(C)(C)C)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576182091 950034387 /nfs/dbraw/zinc/03/43/87/950034387.db2.gz LCBKFWOGXOJDSV-CHWSQXEVSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@@H](CC(=O)N[C@@]1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574491610 950040904 /nfs/dbraw/zinc/04/09/04/950040904.db2.gz DXEAYBHNBHGXCS-XOBRGWDASA-N -1 1 392.467 1.936 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ccon1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574730925 950042779 /nfs/dbraw/zinc/04/27/79/950042779.db2.gz SXPBUQSJIKTYHY-ZETCQYMHSA-N -1 1 382.837 1.466 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ccon1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574730925 950042799 /nfs/dbraw/zinc/04/27/99/950042799.db2.gz SXPBUQSJIKTYHY-ZETCQYMHSA-N -1 1 382.837 1.466 20 0 GDADMM C[C@H](CC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)c1ccccc1 ZINC001574491638 950043775 /nfs/dbraw/zinc/04/37/75/950043775.db2.gz FFSCWFYZBSSCPR-CQSZACIVSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H](CC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)c1ccccc1 ZINC001574491638 950043793 /nfs/dbraw/zinc/04/37/93/950043793.db2.gz FFSCWFYZBSSCPR-CQSZACIVSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H]1CCN(C(=O)C2(C(F)F)CC2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576182305 950046925 /nfs/dbraw/zinc/04/69/25/950046925.db2.gz ZBOFZAVJGVUQGE-WDEREUQCSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H]1CCN(C(=O)C2(C(F)F)CC2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576182305 950046947 /nfs/dbraw/zinc/04/69/47/950046947.db2.gz ZBOFZAVJGVUQGE-WDEREUQCSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H](CC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C(F)(F)F ZINC001574492081 950062745 /nfs/dbraw/zinc/06/27/45/950062745.db2.gz IYVWVMOAUQBFRG-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](CC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C(F)(F)F ZINC001574492081 950062768 /nfs/dbraw/zinc/06/27/68/950062768.db2.gz IYVWVMOAUQBFRG-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H]1CCN(C(=O)COC(C)(C)C)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576182891 950069288 /nfs/dbraw/zinc/06/92/88/950069288.db2.gz NWIGLBTXEOKEDL-STQMWFEESA-N -1 1 388.476 1.368 20 0 GDADMM C[C@H]1CCN(C(=O)COC(C)(C)C)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576182891 950069309 /nfs/dbraw/zinc/06/93/09/950069309.db2.gz NWIGLBTXEOKEDL-STQMWFEESA-N -1 1 388.476 1.368 20 0 GDADMM C[C@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001574492357 950075356 /nfs/dbraw/zinc/07/53/56/950075356.db2.gz MIZVNTJJLXIRGG-JZIBPQBNSA-N -1 1 382.472 1.709 20 0 GDADMM C[C@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001574492357 950075377 /nfs/dbraw/zinc/07/53/77/950075377.db2.gz MIZVNTJJLXIRGG-JZIBPQBNSA-N -1 1 382.472 1.709 20 0 GDADMM C[C@H](CC(=O)N[C@@]12CCC[C@@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2)C1CC1 ZINC001574492437 950081454 /nfs/dbraw/zinc/08/14/54/950081454.db2.gz MTUIIVXEWMCSMM-SPKLELGKSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H](CNC(=O)C[C@H](C)c1ccccc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574492412 950083968 /nfs/dbraw/zinc/08/39/68/950083968.db2.gz ARRXJIYPYVMRTK-UONOGXRCSA-N -1 1 380.456 1.791 20 0 GDADMM C[C@H](CNC(=O)C[C@H](C)c1ccccc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574492412 950083990 /nfs/dbraw/zinc/08/39/90/950083990.db2.gz ARRXJIYPYVMRTK-UONOGXRCSA-N -1 1 380.456 1.791 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cccn2C)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576183701 950100636 /nfs/dbraw/zinc/10/06/36/950100636.db2.gz SRIVBZRPMVWEEJ-SWLSCSKDSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cccn2C)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576183701 950100648 /nfs/dbraw/zinc/10/06/48/950100648.db2.gz SRIVBZRPMVWEEJ-SWLSCSKDSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H](C)Cc1ccccc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574733267 950106960 /nfs/dbraw/zinc/10/69/60/950106960.db2.gz XESGNAJRFHNQSX-UONOGXRCSA-N -1 1 380.456 1.794 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H](C)Cc1ccccc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574733267 950106969 /nfs/dbraw/zinc/10/69/69/950106969.db2.gz XESGNAJRFHNQSX-UONOGXRCSA-N -1 1 380.456 1.794 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H](Nc1nccnc1-c1nnn[n-]1)C1CC1)n1cccc1 ZINC001574492861 950109770 /nfs/dbraw/zinc/10/97/70/950109770.db2.gz DHRKQWFOPIHXFT-GXTWGEPZSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H](Nc1nccnc1-c1nn[n-]n1)C1CC1)n1cccc1 ZINC001574492861 950109782 /nfs/dbraw/zinc/10/97/82/950109782.db2.gz DHRKQWFOPIHXFT-GXTWGEPZSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@]1(C(=O)NCC2(Nc3nccnc3-c3nnn[n-]3)CC2)CCc2ccccc21 ZINC001575582326 950111619 /nfs/dbraw/zinc/11/16/19/950111619.db2.gz IYNORMJSCIUUQF-IBGZPJMESA-N -1 1 390.451 1.622 20 0 GDADMM C[C@]1(C(=O)NCC2(Nc3nccnc3-c3nn[n-]n3)CC2)CCc2ccccc21 ZINC001575582326 950111630 /nfs/dbraw/zinc/11/16/30/950111630.db2.gz IYNORMJSCIUUQF-IBGZPJMESA-N -1 1 390.451 1.622 20 0 GDADMM C[C@H]1CCN(C(=O)C2(CF)CCC2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576184131 950120952 /nfs/dbraw/zinc/12/09/52/950120952.db2.gz UKXVSNWUEIULRL-STQMWFEESA-N -1 1 388.451 1.693 20 0 GDADMM C[C@H]1CCN(C(=O)C2(CF)CCC2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576184131 950120972 /nfs/dbraw/zinc/12/09/72/950120972.db2.gz UKXVSNWUEIULRL-STQMWFEESA-N -1 1 388.451 1.693 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574493307 950126212 /nfs/dbraw/zinc/12/62/12/950126212.db2.gz SCIJWWBIMHAMDM-HOCLYGCPSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H](C)Cc1ccccc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574734128 950127960 /nfs/dbraw/zinc/12/79/60/950127960.db2.gz JQQXTAINWAPUFN-ZIAGYGMSSA-N -1 1 380.456 1.794 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H](C)Cc1ccccc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574734128 950127969 /nfs/dbraw/zinc/12/79/69/950127969.db2.gz JQQXTAINWAPUFN-ZIAGYGMSSA-N -1 1 380.456 1.794 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574734135 950129418 /nfs/dbraw/zinc/12/94/18/950129418.db2.gz JRFVCJBZLUSZPN-VHDGCEQUSA-N -1 1 378.440 1.719 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574734135 950129436 /nfs/dbraw/zinc/12/94/36/950129436.db2.gz JRFVCJBZLUSZPN-VHDGCEQUSA-N -1 1 378.440 1.719 20 0 GDADMM C[C@@H]1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576190371 950158739 /nfs/dbraw/zinc/15/87/39/950158739.db2.gz AOEPOSDBBOCQJK-MRLBHPIUSA-N -1 1 382.472 1.599 20 0 GDADMM C[C@@H]1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576190371 950158759 /nfs/dbraw/zinc/15/87/59/950158759.db2.gz AOEPOSDBBOCQJK-MRLBHPIUSA-N -1 1 382.472 1.599 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](C)N(C)c1cncc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001574494328 950160264 /nfs/dbraw/zinc/16/02/64/950160264.db2.gz KJBVOBZCBQGLIO-KBPBESRZSA-N -1 1 380.456 1.791 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](C)N(C)c1cncc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001574494328 950160279 /nfs/dbraw/zinc/16/02/79/950160279.db2.gz KJBVOBZCBQGLIO-KBPBESRZSA-N -1 1 380.456 1.791 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)C1CCCCC1 ZINC001574494323 950161557 /nfs/dbraw/zinc/16/15/57/950161557.db2.gz KDYNNOJNBHCDSF-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)C1CCCCC1 ZINC001574494323 950161573 /nfs/dbraw/zinc/16/15/73/950161573.db2.gz KDYNNOJNBHCDSF-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCN(C(=O)c2cc(F)c[nH]2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576190683 950168860 /nfs/dbraw/zinc/16/88/60/950168860.db2.gz DAIYMDCQQYKVEI-QWRGUYRKSA-N -1 1 385.407 1.334 20 0 GDADMM C[C@H]1CCN(C(=O)c2cc(F)c[nH]2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576190683 950168871 /nfs/dbraw/zinc/16/88/71/950168871.db2.gz DAIYMDCQQYKVEI-QWRGUYRKSA-N -1 1 385.407 1.334 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2occc2Cl)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575899824 950181477 /nfs/dbraw/zinc/18/14/77/950181477.db2.gz ADLRARSKLVAWSL-GXSJLCMTSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2occc2Cl)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575899824 950181487 /nfs/dbraw/zinc/18/14/87/950181487.db2.gz ADLRARSKLVAWSL-GXSJLCMTSA-N -1 1 388.819 1.690 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CC[C@@H]1CCCO1 ZINC001574155429 950192502 /nfs/dbraw/zinc/19/25/02/950192502.db2.gz KWPUWYXKSDHLFK-KGLIPLIRSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CC[C@@H]1CCCO1 ZINC001574155429 950192514 /nfs/dbraw/zinc/19/25/14/950192514.db2.gz KWPUWYXKSDHLFK-KGLIPLIRSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573844655 950203632 /nfs/dbraw/zinc/20/36/32/950203632.db2.gz DNPHPPXKCICMEG-GXTWGEPZSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573844655 950203643 /nfs/dbraw/zinc/20/36/43/950203643.db2.gz DNPHPPXKCICMEG-GXTWGEPZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](C)N(C)c1nccnc1-c1nnn[n-]1)c1ccncc1 ZINC001574496084 950209974 /nfs/dbraw/zinc/20/99/74/950209974.db2.gz VHSHMULDZPNONL-CHWSQXEVSA-N -1 1 381.444 1.186 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](C)N(C)c1nccnc1-c1nn[n-]n1)c1ccncc1 ZINC001574496084 950209985 /nfs/dbraw/zinc/20/99/85/950209985.db2.gz VHSHMULDZPNONL-CHWSQXEVSA-N -1 1 381.444 1.186 20 0 GDADMM C[C@H](CC(=O)NC[C@]1(C)CCCN(c2nccnc2-c2nnn[n-]2)C1)C1CC1 ZINC001574497844 950247280 /nfs/dbraw/zinc/24/72/80/950247280.db2.gz DZUWTRKIGVEBIM-YJYMSZOUSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](CC(=O)NC[C@]1(C)CCCN(c2nccnc2-c2nn[n-]n2)C1)C1CC1 ZINC001574497844 950247299 /nfs/dbraw/zinc/24/72/99/950247299.db2.gz DZUWTRKIGVEBIM-YJYMSZOUSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573846546 950252248 /nfs/dbraw/zinc/25/22/48/950252248.db2.gz SOMJODLUOCDHNB-XEKQOVJPSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573846546 950252269 /nfs/dbraw/zinc/25/22/69/950252269.db2.gz SOMJODLUOCDHNB-XEKQOVJPSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccccc1F ZINC001574158023 950269089 /nfs/dbraw/zinc/26/90/89/950269089.db2.gz NADBKKBDADRLFR-GFCCVEGCSA-N -1 1 384.419 1.474 20 0 GDADMM CC(C)(C)OC(=O)C1(CNC(=O)c2coc(-c3nnn[n-]3)c2)CCOCC1 ZINC001573850079 950270880 /nfs/dbraw/zinc/27/08/80/950270880.db2.gz FONZIAGXQQMZED-UHFFFAOYSA-N -1 1 377.401 1.328 20 0 GDADMM CC(C)(C)OC(=O)C1(CNC(=O)c2coc(-c3nn[n-]n3)c2)CCOCC1 ZINC001573850079 950270898 /nfs/dbraw/zinc/27/08/98/950270898.db2.gz FONZIAGXQQMZED-UHFFFAOYSA-N -1 1 377.401 1.328 20 0 GDADMM CC(C)(C)OC(=O)[C@H](Cc1ccncc1)NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001573850187 950270998 /nfs/dbraw/zinc/27/09/98/950270998.db2.gz GWMKBSYZGIQXDN-ZDUSSCGKSA-N -1 1 384.396 1.538 20 0 GDADMM CC(C)(C)OC(=O)[C@H](Cc1ccncc1)NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001573850187 950271020 /nfs/dbraw/zinc/27/10/20/950271020.db2.gz GWMKBSYZGIQXDN-ZDUSSCGKSA-N -1 1 384.396 1.538 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCC1)[C@@H]1CCCO1 ZINC001574498906 950291072 /nfs/dbraw/zinc/29/10/72/950291072.db2.gz RCJLRAPZZWCEDL-JSGCOSHPSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCC1)[C@@H]1CCCO1 ZINC001574498906 950291087 /nfs/dbraw/zinc/29/10/87/950291087.db2.gz RCJLRAPZZWCEDL-JSGCOSHPSA-N -1 1 386.460 1.313 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccc(F)cn1 ZINC001574159406 950308173 /nfs/dbraw/zinc/30/81/73/950308173.db2.gz HCXMRHLGMAMZMO-LBPRGKRZSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccc(F)cn1 ZINC001574159406 950308196 /nfs/dbraw/zinc/30/81/96/950308196.db2.gz HCXMRHLGMAMZMO-LBPRGKRZSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001573852377 950308853 /nfs/dbraw/zinc/30/88/53/950308853.db2.gz GHJWGPLDTVKLAU-JTQLQIEISA-N -1 1 376.421 1.708 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001573852377 950308876 /nfs/dbraw/zinc/30/88/76/950308876.db2.gz GHJWGPLDTVKLAU-JTQLQIEISA-N -1 1 376.421 1.708 20 0 GDADMM CC1(C(=O)NCC[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CC(F)(F)C1 ZINC001575593148 950309684 /nfs/dbraw/zinc/30/96/84/950309684.db2.gz LHWJJZYWRVVFET-NSHDSACASA-N -1 1 392.414 1.425 20 0 GDADMM CC1(C(=O)NCC[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CC(F)(F)C1 ZINC001575593148 950309706 /nfs/dbraw/zinc/30/97/06/950309706.db2.gz LHWJJZYWRVVFET-NSHDSACASA-N -1 1 392.414 1.425 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2coc(-c3nnn[n-]3)c2)[C@@H](F)C1 ZINC001573852786 950314210 /nfs/dbraw/zinc/31/42/10/950314210.db2.gz JEOOOLQMJBBTTF-QWRGUYRKSA-N -1 1 380.380 1.537 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2coc(-c3nn[n-]n3)c2)[C@@H](F)C1 ZINC001573852786 950314226 /nfs/dbraw/zinc/31/42/26/950314226.db2.gz JEOOOLQMJBBTTF-QWRGUYRKSA-N -1 1 380.380 1.537 20 0 GDADMM CC1(C(=O)NC[C@H]2COCCN2Cc2ccc(-c3nn[n-]n3)s2)CCC1 ZINC001575594082 950327252 /nfs/dbraw/zinc/32/72/52/950327252.db2.gz JNVVQCASQYPXRE-LBPRGKRZSA-N -1 1 376.486 1.435 20 0 GDADMM CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H]1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001573854019 950336085 /nfs/dbraw/zinc/33/60/85/950336085.db2.gz WVBLLVVELHWDBF-JTQLQIEISA-N -1 1 376.421 1.564 20 0 GDADMM CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H]1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001573854019 950336101 /nfs/dbraw/zinc/33/61/01/950336101.db2.gz WVBLLVVELHWDBF-JTQLQIEISA-N -1 1 376.421 1.564 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cc1cscn1 ZINC001574160916 950346054 /nfs/dbraw/zinc/34/60/54/950346054.db2.gz QYHDDASBPIYHJY-NSHDSACASA-N -1 1 387.473 1.299 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cc1cscn1 ZINC001574160916 950346073 /nfs/dbraw/zinc/34/60/73/950346073.db2.gz QYHDDASBPIYHJY-NSHDSACASA-N -1 1 387.473 1.299 20 0 GDADMM CC(C)(C)N1C[C@H](CNC(=O)NCc2ccc(-c3nn[n-]n3)s2)CC1=O ZINC001573854941 950351433 /nfs/dbraw/zinc/35/14/33/950351433.db2.gz IKNLJMVSTJBLOO-JTQLQIEISA-N -1 1 377.474 1.374 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H](C)c1ccco1 ZINC001574161475 950357992 /nfs/dbraw/zinc/35/79/92/950357992.db2.gz UYYZFDYZCPIURH-STQMWFEESA-N -1 1 384.444 1.996 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)c1ccco1 ZINC001574161475 950358009 /nfs/dbraw/zinc/35/80/09/950358009.db2.gz UYYZFDYZCPIURH-STQMWFEESA-N -1 1 384.444 1.996 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc(C(C)(C)C)n[nH]1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574744984 950370107 /nfs/dbraw/zinc/37/01/07/950370107.db2.gz DQIIYZHVKFSDMO-SNVBAGLBSA-N -1 1 384.448 1.250 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc(C(C)(C)C)n[nH]1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574744984 950370132 /nfs/dbraw/zinc/37/01/32/950370132.db2.gz DQIIYZHVKFSDMO-SNVBAGLBSA-N -1 1 384.448 1.250 20 0 GDADMM CC(C)(C)OC(=O)NCCC(=O)Nc1ncc2c(c1-c1nn[n-]n1)COCC2 ZINC001573860370 950420612 /nfs/dbraw/zinc/42/06/12/950420612.db2.gz IABGBCLFTXQMGJ-UHFFFAOYSA-N -1 1 389.416 1.188 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc2n(c1)CCCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574750651 950435311 /nfs/dbraw/zinc/43/53/11/950435311.db2.gz FKVUIYSAFJICJR-GFCCVEGCSA-N -1 1 381.444 1.367 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc2n(c1)CCCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574750651 950435326 /nfs/dbraw/zinc/43/53/26/950435326.db2.gz FKVUIYSAFJICJR-GFCCVEGCSA-N -1 1 381.444 1.367 20 0 GDADMM CC(C)(C)OC(=O)N[C@](C)(C(=O)Nc1n[nH]cc1-c1nnn[n-]1)c1ccccc1 ZINC001573861087 950441278 /nfs/dbraw/zinc/44/12/78/950441278.db2.gz SFNWMMVTANWFGO-SFHVURJKSA-N -1 1 398.427 1.968 20 0 GDADMM CC(C)(C)OC(=O)N[C@](C)(C(=O)Nc1n[nH]cc1-c1nn[n-]n1)c1ccccc1 ZINC001573861087 950441288 /nfs/dbraw/zinc/44/12/88/950441288.db2.gz SFNWMMVTANWFGO-SFHVURJKSA-N -1 1 398.427 1.968 20 0 GDADMM CC(C)CC1(C(=O)NC[C@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)CCC1 ZINC001574165317 950447167 /nfs/dbraw/zinc/44/71/67/950447167.db2.gz CXNNKXIMZKMFGX-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CC1(C(=O)N2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)CCCC1 ZINC001574165832 950455114 /nfs/dbraw/zinc/45/51/14/950455114.db2.gz JPVJGBRFTLLCEF-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)CC1(C(=O)N2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)CCCC1 ZINC001574165832 950455122 /nfs/dbraw/zinc/45/51/22/950455122.db2.gz JPVJGBRFTLLCEF-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNC(=O)Cc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573862240 950464456 /nfs/dbraw/zinc/46/44/56/950464456.db2.gz QLJSWROKQTUPIM-BETUJISGSA-N -1 1 387.444 1.224 20 0 GDADMM CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNC(=O)Cc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573862240 950464478 /nfs/dbraw/zinc/46/44/78/950464478.db2.gz QLJSWROKQTUPIM-BETUJISGSA-N -1 1 387.444 1.224 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc(C2CC2)cn1)Nc1nccnc1-c1nnn[n-]1 ZINC001574752296 950477163 /nfs/dbraw/zinc/47/71/63/950477163.db2.gz ACCGUBZJBGVRGG-NSHDSACASA-N -1 1 379.428 1.502 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc(C2CC2)cn1)Nc1nccnc1-c1nn[n-]n1 ZINC001574752296 950477179 /nfs/dbraw/zinc/47/71/79/950477179.db2.gz ACCGUBZJBGVRGG-NSHDSACASA-N -1 1 379.428 1.502 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc(C(F)F)nc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574752761 950500362 /nfs/dbraw/zinc/50/03/62/950500362.db2.gz FQKHMKKOZMRDLZ-VIFPVBQESA-N -1 1 389.370 1.562 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc(C(F)F)nc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574752761 950500379 /nfs/dbraw/zinc/50/03/79/950500379.db2.gz FQKHMKKOZMRDLZ-VIFPVBQESA-N -1 1 389.370 1.562 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001574509569 950517560 /nfs/dbraw/zinc/51/75/60/950517560.db2.gz XHZYOWOLOCXDPE-MELADBBJSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001574509569 950517571 /nfs/dbraw/zinc/51/75/71/950517571.db2.gz XHZYOWOLOCXDPE-MELADBBJSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](CC(=O)NCC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C)C1CC1 ZINC001574509729 950526528 /nfs/dbraw/zinc/52/65/28/950526528.db2.gz WLJLDERGODMDOB-GZBFAFLISA-N -1 1 384.488 1.672 20 0 GDADMM C[C@@H](CC(=O)NCC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C)C1CC1 ZINC001574509729 950526546 /nfs/dbraw/zinc/52/65/46/950526546.db2.gz WLJLDERGODMDOB-GZBFAFLISA-N -1 1 384.488 1.672 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001574509730 950526686 /nfs/dbraw/zinc/52/66/86/950526686.db2.gz XSNFZOVLTREXNJ-BBBLOLIVSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001574509730 950526697 /nfs/dbraw/zinc/52/66/97/950526697.db2.gz XSNFZOVLTREXNJ-BBBLOLIVSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc(C2CC2)cc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574753754 950540000 /nfs/dbraw/zinc/54/00/00/950540000.db2.gz RIAQHOVMCMTBLI-LBPRGKRZSA-N -1 1 378.440 1.529 20 0 GDADMM CC(C)(C)OCC(=O)NC1(CNc2cncc(-c3nnn[n-]3)n2)CCCCC1 ZINC001573868474 950541341 /nfs/dbraw/zinc/54/13/41/950541341.db2.gz CEPQEOJHHJUKQU-UHFFFAOYSA-N -1 1 388.476 1.703 20 0 GDADMM CC(C)(C)OCC(=O)NC1(CNc2cncc(-c3nn[n-]n3)n2)CCCCC1 ZINC001573868474 950541359 /nfs/dbraw/zinc/54/13/59/950541359.db2.gz CEPQEOJHHJUKQU-UHFFFAOYSA-N -1 1 388.476 1.703 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CCCC1 ZINC001573868883 950550150 /nfs/dbraw/zinc/55/01/50/950550150.db2.gz HGADXUSWPWTONV-ZDUSSCGKSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573868883 950550166 /nfs/dbraw/zinc/55/01/66/950550166.db2.gz HGADXUSWPWTONV-ZDUSSCGKSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc2c(c1)COC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574754069 950560972 /nfs/dbraw/zinc/56/09/72/950560972.db2.gz WUBPPFBQLFIPKA-NSHDSACASA-N -1 1 380.412 1.260 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc2c(c1)COC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574754069 950560992 /nfs/dbraw/zinc/56/09/92/950560992.db2.gz WUBPPFBQLFIPKA-NSHDSACASA-N -1 1 380.412 1.260 20 0 GDADMM C[C@]1(C(=O)Nc2ccc(Oc3ccnc(-c4nnn[n-]4)c3)cc2)CCNC1=O ZINC001575614975 950562503 /nfs/dbraw/zinc/56/25/03/950562503.db2.gz XGZNKAAZFMAPQH-SFHVURJKSA-N -1 1 379.380 1.519 20 0 GDADMM C[C@]1(C(=O)Nc2ccc(Oc3ccnc(-c4nn[n-]n4)c3)cc2)CCNC1=O ZINC001575614975 950562515 /nfs/dbraw/zinc/56/25/15/950562515.db2.gz XGZNKAAZFMAPQH-SFHVURJKSA-N -1 1 379.380 1.519 20 0 GDADMM CC1(C)C(C(=O)NCCOCCCNc2cnc(-c3nnn[n-]3)cn2)C1(C)C ZINC001575615565 950565816 /nfs/dbraw/zinc/56/58/16/950565816.db2.gz BEPZYCOZMXZPFF-UHFFFAOYSA-N -1 1 388.476 1.274 20 0 GDADMM CC1(C)C(C(=O)NCCOCCCNc2cnc(-c3nn[n-]n3)cn2)C1(C)C ZINC001575615565 950565828 /nfs/dbraw/zinc/56/58/28/950565828.db2.gz BEPZYCOZMXZPFF-UHFFFAOYSA-N -1 1 388.476 1.274 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1C)C(F)(F)F ZINC001574512842 950589618 /nfs/dbraw/zinc/58/96/18/950589618.db2.gz DRCRZEIFUNRWJW-AEJSXWLSSA-N -1 1 384.366 1.329 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C12CCC2 ZINC001573870293 950591968 /nfs/dbraw/zinc/59/19/68/950591968.db2.gz UROLZCDKBWMRLA-QWHCGFSZSA-N -1 1 386.460 1.311 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C12CCC2 ZINC001573870293 950591987 /nfs/dbraw/zinc/59/19/87/950591987.db2.gz UROLZCDKBWMRLA-QWHCGFSZSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H]1C)c1ccccc1 ZINC001574513192 950594774 /nfs/dbraw/zinc/59/47/74/950594774.db2.gz JEYXGNRNIJGFNY-LZWOXQAQSA-N -1 1 392.467 1.934 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H]1C)c1ccccc1 ZINC001574513192 950594789 /nfs/dbraw/zinc/59/47/89/950594789.db2.gz JEYXGNRNIJGFNY-LZWOXQAQSA-N -1 1 392.467 1.934 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1coc(C2CC2)n1 ZINC001575919136 950609456 /nfs/dbraw/zinc/60/94/56/950609456.db2.gz GLLGQOLQXKMMRR-ONGXEEELSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1coc(C2CC2)n1 ZINC001575919136 950609472 /nfs/dbraw/zinc/60/94/72/950609472.db2.gz GLLGQOLQXKMMRR-ONGXEEELSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)ccc1Cl)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575000899 950616371 /nfs/dbraw/zinc/61/63/71/950616371.db2.gz HXNLIFXXIIOEKJ-VIFPVBQESA-N -1 1 390.810 1.349 20 0 GDADMM CC1(C)C(C(=O)N2CCC(CNc3cnc(-c4nnn[n-]4)cn3)CC2)C1(C)C ZINC001575619175 950617540 /nfs/dbraw/zinc/61/75/40/950617540.db2.gz NDSZWNWYFUMILI-UHFFFAOYSA-N -1 1 384.488 1.989 20 0 GDADMM CC1(C)C(C(=O)N2CCC(CNc3cnc(-c4nn[n-]n4)cn3)CC2)C1(C)C ZINC001575619175 950617552 /nfs/dbraw/zinc/61/75/52/950617552.db2.gz NDSZWNWYFUMILI-UHFFFAOYSA-N -1 1 384.488 1.989 20 0 GDADMM CC1(C)C(C(=O)N2CC[C@@H](CCNc3ccc(-c4nnn[n-]4)nn3)C2)C1(C)C ZINC001575619746 950622708 /nfs/dbraw/zinc/62/27/08/950622708.db2.gz PJGBFSLCBGTDDS-GFCCVEGCSA-N -1 1 384.488 1.989 20 0 GDADMM CC1(C)C(C(=O)N2CC[C@@H](CCNc3ccc(-c4nn[n-]n4)nn3)C2)C1(C)C ZINC001575619746 950622729 /nfs/dbraw/zinc/62/27/29/950622729.db2.gz PJGBFSLCBGTDDS-GFCCVEGCSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccn(C)n1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574759163 950629633 /nfs/dbraw/zinc/62/96/33/950629633.db2.gz LFZSHCFDWATOBQ-SSDOTTSWSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccn(C)n1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574759163 950629642 /nfs/dbraw/zinc/62/96/42/950629642.db2.gz LFZSHCFDWATOBQ-SSDOTTSWSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)cc(Cl)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001575001503 950633051 /nfs/dbraw/zinc/63/30/51/950633051.db2.gz LTHXDDWDRLJRJO-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)cc(Cl)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001575001503 950633065 /nfs/dbraw/zinc/63/30/65/950633065.db2.gz LTHXDDWDRLJRJO-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)c(Cl)[nH]1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575002019 950649552 /nfs/dbraw/zinc/64/95/52/950649552.db2.gz YNUVFARRDUUJRB-LURJTMIESA-N -1 1 382.215 1.522 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)c(Cl)[nH]1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575002019 950649568 /nfs/dbraw/zinc/64/95/68/950649568.db2.gz YNUVFARRDUUJRB-LURJTMIESA-N -1 1 382.215 1.522 20 0 GDADMM C[C@H](CN(C)C(=O)c1cccn1C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574760022 950654189 /nfs/dbraw/zinc/65/41/89/950654189.db2.gz SKVSCADHBSYQBW-MRVPVSSYSA-N -1 1 380.865 1.888 20 0 GDADMM C[C@H](CN(C)C(=O)c1cccn1C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574760022 950654205 /nfs/dbraw/zinc/65/42/05/950654205.db2.gz SKVSCADHBSYQBW-MRVPVSSYSA-N -1 1 380.865 1.888 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cccnc1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574760027 950657136 /nfs/dbraw/zinc/65/71/36/950657136.db2.gz SUPCXDLZUTUOAM-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cccnc1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574760027 950657149 /nfs/dbraw/zinc/65/71/49/950657149.db2.gz SUPCXDLZUTUOAM-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CNC(=O)c1cc2c(s1)CCC2)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575002412 950660883 /nfs/dbraw/zinc/66/08/83/950660883.db2.gz TVGFMQFXXUPOPW-SNVBAGLBSA-N -1 1 384.469 1.462 20 0 GDADMM C[C@H](CNC(=O)c1cc2c(s1)CCC2)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575002412 950660900 /nfs/dbraw/zinc/66/09/00/950660900.db2.gz TVGFMQFXXUPOPW-SNVBAGLBSA-N -1 1 384.469 1.462 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)ccc1Cl)Nc1nccnc1-c1nnn[n-]1 ZINC001575003091 950671020 /nfs/dbraw/zinc/67/10/20/950671020.db2.gz XTAPCAAFSWWROS-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)ccc1Cl)Nc1nccnc1-c1nn[n-]n1 ZINC001575003091 950671033 /nfs/dbraw/zinc/67/10/33/950671033.db2.gz XTAPCAAFSWWROS-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H]1[C@H](Nc2cccc(F)c2-c2nn[nH]n2)CCN1C(=O)c1ncccc1[O-] ZINC001575924569 950676800 /nfs/dbraw/zinc/67/68/00/950676800.db2.gz SKKXGYZGUJGEMT-CMPLNLGQSA-N -1 1 383.387 1.822 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CC(C1CC1)C1CC1 ZINC001575925674 950690147 /nfs/dbraw/zinc/69/01/47/950690147.db2.gz HXEXAONMXDPEEI-ABAIWWIYSA-N -1 1 382.472 1.884 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CC(C1CC1)C1CC1 ZINC001575925674 950690163 /nfs/dbraw/zinc/69/01/63/950690163.db2.gz HXEXAONMXDPEEI-ABAIWWIYSA-N -1 1 382.472 1.884 20 0 GDADMM CC1(C)CC(C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575625625 950691452 /nfs/dbraw/zinc/69/14/52/950691452.db2.gz VLROYCNBHUPGTJ-CABCVRRESA-N -1 1 382.472 1.663 20 0 GDADMM CC1(C)CC(C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575625625 950691469 /nfs/dbraw/zinc/69/14/69/950691469.db2.gz VLROYCNBHUPGTJ-CABCVRRESA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccncn1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574761109 950691552 /nfs/dbraw/zinc/69/15/52/950691552.db2.gz QONIGVMNGLNATD-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccncn1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574761109 950691570 /nfs/dbraw/zinc/69/15/70/950691570.db2.gz QONIGVMNGLNATD-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cn(C)cn1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574762652 950707719 /nfs/dbraw/zinc/70/77/19/950707719.db2.gz ZYTFELYXNLJZFX-ZETCQYMHSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cn(C)cn1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574762652 950707727 /nfs/dbraw/zinc/70/77/27/950707727.db2.gz ZYTFELYXNLJZFX-ZETCQYMHSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@@H](CNC(=O)c1cc2n(c1)CCCC2)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575006009 950709594 /nfs/dbraw/zinc/70/95/94/950709594.db2.gz PTOBNWSORQISTE-LBPRGKRZSA-N -1 1 381.444 1.049 20 0 GDADMM C[C@@H](CNC(=O)c1cc2n(c1)CCCC2)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575006009 950709606 /nfs/dbraw/zinc/70/96/06/950709606.db2.gz PTOBNWSORQISTE-LBPRGKRZSA-N -1 1 381.444 1.049 20 0 GDADMM CC(C)n1nccc1C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)[C@H]1C ZINC001575926344 950709760 /nfs/dbraw/zinc/70/97/60/950709760.db2.gz JJGZZWJVQOVKFW-VXGBXAGGSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1nccc1C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)[C@H]1C ZINC001575926344 950709776 /nfs/dbraw/zinc/70/97/76/950709776.db2.gz JJGZZWJVQOVKFW-VXGBXAGGSA-N -1 1 382.432 1.149 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccc(C2CC2)cn1 ZINC001575926613 950717828 /nfs/dbraw/zinc/71/78/28/950717828.db2.gz KQGZDXYXRRBHRV-SMDDNHRTSA-N -1 1 391.439 1.644 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccc(C2CC2)cn1 ZINC001575926613 950717848 /nfs/dbraw/zinc/71/78/48/950717848.db2.gz KQGZDXYXRRBHRV-SMDDNHRTSA-N -1 1 391.439 1.644 20 0 GDADMM C[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(-c3nnn[n-]3)o2)[C@H]1C ZINC001576216022 950718301 /nfs/dbraw/zinc/71/83/01/950718301.db2.gz XWFCYVPSBJXDOV-AGIUHOORSA-N -1 1 384.444 1.838 20 0 GDADMM C[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(-c3nn[n-]n3)o2)[C@H]1C ZINC001576216022 950718313 /nfs/dbraw/zinc/71/83/13/950718313.db2.gz XWFCYVPSBJXDOV-AGIUHOORSA-N -1 1 384.444 1.838 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)c1ccccc1 ZINC001574520231 950722513 /nfs/dbraw/zinc/72/25/13/950722513.db2.gz NYOQGKYZLAWMKF-UTXMOHQDSA-N -1 1 390.451 1.401 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)c1ccccc1 ZINC001574520231 950722528 /nfs/dbraw/zinc/72/25/28/950722528.db2.gz NYOQGKYZLAWMKF-UTXMOHQDSA-N -1 1 390.451 1.401 20 0 GDADMM C[C@H](CN(C)C(=O)c1cnn(C(C)(C)C)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001574763563 950723281 /nfs/dbraw/zinc/72/32/81/950723281.db2.gz FDXYEENMLHAEAD-LLVKDONJSA-N -1 1 384.448 1.181 20 0 GDADMM C[C@H](CN(C)C(=O)c1cnn(C(C)(C)C)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001574763563 950723294 /nfs/dbraw/zinc/72/32/94/950723294.db2.gz FDXYEENMLHAEAD-LLVKDONJSA-N -1 1 384.448 1.181 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576216321 950727623 /nfs/dbraw/zinc/72/76/23/950727623.db2.gz DHZLMCPBIVONGO-MNOVXSKESA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576216321 950727632 /nfs/dbraw/zinc/72/76/32/950727632.db2.gz DHZLMCPBIVONGO-MNOVXSKESA-N -1 1 392.414 1.599 20 0 GDADMM CC1(C)CC(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2(C)C)C1 ZINC001575629059 950730362 /nfs/dbraw/zinc/73/03/62/950730362.db2.gz JRTUKTBWZPXVGI-ZDUSSCGKSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](CNC(=O)c1cc2n(c1)CCCC2)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575006946 950730883 /nfs/dbraw/zinc/73/08/83/950730883.db2.gz YTZQDMXPALTSIJ-GFCCVEGCSA-N -1 1 381.444 1.049 20 0 GDADMM C[C@H](CNC(=O)c1cc2n(c1)CCCC2)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575006946 950730892 /nfs/dbraw/zinc/73/08/92/950730892.db2.gz YTZQDMXPALTSIJ-GFCCVEGCSA-N -1 1 381.444 1.049 20 0 GDADMM CC1(C)CC(C(=O)NC2(CNc3cncc(-c4nnn[n-]4)n3)CCOCC2)C1 ZINC001575629577 950743329 /nfs/dbraw/zinc/74/33/29/950743329.db2.gz PRTDWGRRSDLLNE-UHFFFAOYSA-N -1 1 386.460 1.170 20 0 GDADMM CC1(C)CC(C(=O)NC2(CNc3cncc(-c4nn[n-]n4)n3)CCOCC2)C1 ZINC001575629577 950743348 /nfs/dbraw/zinc/74/33/48/950743348.db2.gz PRTDWGRRSDLLNE-UHFFFAOYSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576217354 950757864 /nfs/dbraw/zinc/75/78/64/950757864.db2.gz GYOPUCBQSVQPHP-GHMZBOCLSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576217354 950757878 /nfs/dbraw/zinc/75/78/78/950757878.db2.gz GYOPUCBQSVQPHP-GHMZBOCLSA-N -1 1 392.414 1.599 20 0 GDADMM CC(C)(C)c1ccc(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001573882028 950764181 /nfs/dbraw/zinc/76/41/81/950764181.db2.gz OLMUFXRZVCLABP-OAHLLOKOSA-N -1 1 392.467 1.963 20 0 GDADMM CC(C)(C)c1ccc(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573882028 950764193 /nfs/dbraw/zinc/76/41/93/950764193.db2.gz OLMUFXRZVCLABP-OAHLLOKOSA-N -1 1 392.467 1.963 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)C(C)(C)C2(C)C)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576218009 950777317 /nfs/dbraw/zinc/77/73/17/950777317.db2.gz KDZCGWUFZIOWGL-WCQYABFASA-N -1 1 384.488 1.988 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)C(C)(C)C2(C)C)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576218009 950777331 /nfs/dbraw/zinc/77/73/31/950777331.db2.gz KDZCGWUFZIOWGL-WCQYABFASA-N -1 1 384.488 1.988 20 0 GDADMM C[C@@H](CN(C)C(=O)c1sccc1Cl)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574765479 950785242 /nfs/dbraw/zinc/78/52/42/950785242.db2.gz CUXIHHHCLFYNHJ-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CN(C)C(=O)c1sccc1Cl)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574765479 950785257 /nfs/dbraw/zinc/78/52/57/950785257.db2.gz CUXIHHHCLFYNHJ-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM CC1(C)CC(CC(=O)N2CCO[C@H](CNc3nccnc3-c3nnn[n-]3)C2)C1 ZINC001575632464 950800644 /nfs/dbraw/zinc/80/06/44/950800644.db2.gz IIXNJLZFOQUDNJ-CYBMUJFWSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CC(CC(=O)N2CCO[C@H](CNc3nccnc3-c3nn[n-]n3)C2)C1 ZINC001575632464 950800670 /nfs/dbraw/zinc/80/06/70/950800670.db2.gz IIXNJLZFOQUDNJ-CYBMUJFWSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CC(CC(=O)N2CC[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)C1 ZINC001575632835 950805607 /nfs/dbraw/zinc/80/56/07/950805607.db2.gz OCRBELFFEYAMNT-DZGCQCFKSA-N -1 1 382.472 1.520 20 0 GDADMM CC1(C)CC(CC(=O)N2CC[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)C1 ZINC001575632835 950805634 /nfs/dbraw/zinc/80/56/34/950805634.db2.gz OCRBELFFEYAMNT-DZGCQCFKSA-N -1 1 382.472 1.520 20 0 GDADMM CC1(C)CC(CC(=O)N[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001575633319 950818209 /nfs/dbraw/zinc/81/82/09/950818209.db2.gz SHXJXNSBDCFXJA-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CC(CC(=O)N[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001575633319 950818230 /nfs/dbraw/zinc/81/82/30/950818230.db2.gz SHXJXNSBDCFXJA-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)CCN1C(=O)c1ccnnc1 ZINC001575931992 950820685 /nfs/dbraw/zinc/82/06/85/950820685.db2.gz KJELYECTEJZLFQ-APPZFPTMSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCN1C(=O)c1ccnnc1 ZINC001575931992 950820703 /nfs/dbraw/zinc/82/07/03/950820703.db2.gz KJELYECTEJZLFQ-APPZFPTMSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cnc(C2CC2)o1 ZINC001575932775 950829919 /nfs/dbraw/zinc/82/99/19/950829919.db2.gz MOTAVITYGAVFEM-MWLCHTKSSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cnc(C2CC2)o1 ZINC001575932775 950829936 /nfs/dbraw/zinc/82/99/36/950829936.db2.gz MOTAVITYGAVFEM-MWLCHTKSSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ocnc1C(F)F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574766821 950831360 /nfs/dbraw/zinc/83/13/60/950831360.db2.gz LCGOELNZPWBQOF-ZETCQYMHSA-N -1 1 379.331 1.155 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ocnc1C(F)F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574766821 950831376 /nfs/dbraw/zinc/83/13/76/950831376.db2.gz LCGOELNZPWBQOF-ZETCQYMHSA-N -1 1 379.331 1.155 20 0 GDADMM CC(C)(C)c1nc[nH]c1C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573885832 950838785 /nfs/dbraw/zinc/83/87/85/950838785.db2.gz VGOGFWDGPCFGKU-UHFFFAOYSA-N -1 1 382.432 1.052 20 0 GDADMM CC(C)(C)c1nc[nH]c1C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573885832 950838811 /nfs/dbraw/zinc/83/88/11/950838811.db2.gz VGOGFWDGPCFGKU-UHFFFAOYSA-N -1 1 382.432 1.052 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cc(F)cc(F)c1 ZINC001575933398 950842944 /nfs/dbraw/zinc/84/29/44/950842944.db2.gz ONRBCBLRVHIVNU-NOZJJQNGSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(F)cc(F)c1 ZINC001575933398 950842964 /nfs/dbraw/zinc/84/29/64/950842964.db2.gz ONRBCBLRVHIVNU-NOZJJQNGSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@@H]1[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)CCN1C(=O)Cc1ccc[nH]1 ZINC001575933642 950843767 /nfs/dbraw/zinc/84/37/67/950843767.db2.gz OXQRRSRAOWPQQY-PSASIEDQSA-N -1 1 392.876 1.949 20 0 GDADMM C[C@@H]1[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCN1C(=O)Cc1ccc[nH]1 ZINC001575933642 950843791 /nfs/dbraw/zinc/84/37/91/950843791.db2.gz OXQRRSRAOWPQQY-PSASIEDQSA-N -1 1 392.876 1.949 20 0 GDADMM CC1(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)CC(C)(C)C2)CCC1 ZINC001575639639 950873383 /nfs/dbraw/zinc/87/33/83/950873383.db2.gz UYKZKDIJIAGDNH-ZDUSSCGKSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)CC(C)(C)C2)CCC1 ZINC001575639639 950873401 /nfs/dbraw/zinc/87/34/01/950873401.db2.gz UYKZKDIJIAGDNH-ZDUSSCGKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccc(C2CC2)cn1 ZINC001575935142 950876818 /nfs/dbraw/zinc/87/68/18/950876818.db2.gz VPFKNLZWZIIYDA-SMDDNHRTSA-N -1 1 391.439 1.644 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(C2CC2)cn1 ZINC001575935142 950876831 /nfs/dbraw/zinc/87/68/31/950876831.db2.gz VPFKNLZWZIIYDA-SMDDNHRTSA-N -1 1 391.439 1.644 20 0 GDADMM C[C@@H](CN(C)C(=O)c1scnc1C1CC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574768302 950884114 /nfs/dbraw/zinc/88/41/14/950884114.db2.gz UBEWSOJKGJVVNN-VIFPVBQESA-N -1 1 385.457 1.563 20 0 GDADMM C[C@@H](CN(C)C(=O)c1scnc1C1CC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574768302 950884132 /nfs/dbraw/zinc/88/41/32/950884132.db2.gz UBEWSOJKGJVVNN-VIFPVBQESA-N -1 1 385.457 1.563 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccnc(C2CC2)n1 ZINC001575936243 950911244 /nfs/dbraw/zinc/91/12/44/950911244.db2.gz DHACIHQRNHVJNL-PWSUYJOCSA-N -1 1 392.427 1.039 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccnc(C2CC2)n1 ZINC001575936243 950911261 /nfs/dbraw/zinc/91/12/61/950911261.db2.gz DHACIHQRNHVJNL-PWSUYJOCSA-N -1 1 392.427 1.039 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc(C(F)F)o1 ZINC001575936844 950931229 /nfs/dbraw/zinc/93/12/29/950931229.db2.gz IXGLYBDPLXKWQR-RKDXNWHRSA-N -1 1 390.354 1.902 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc(C(F)F)o1 ZINC001575936844 950931245 /nfs/dbraw/zinc/93/12/45/950931245.db2.gz IXGLYBDPLXKWQR-RKDXNWHRSA-N -1 1 390.354 1.902 20 0 GDADMM CC(C)(CC(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)C1CC1 ZINC001573895575 950944073 /nfs/dbraw/zinc/94/40/73/950944073.db2.gz DFBGGIJAKATYPO-ZSOGYDGISA-N -1 1 382.472 1.281 20 0 GDADMM CC(C)(CC(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)C1CC1 ZINC001573895575 950944089 /nfs/dbraw/zinc/94/40/89/950944089.db2.gz DFBGGIJAKATYPO-ZSOGYDGISA-N -1 1 382.472 1.281 20 0 GDADMM CC(C)(CC(=O)NC[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CC1 ZINC001573897787 950963979 /nfs/dbraw/zinc/96/39/79/950963979.db2.gz SIKVTPJDMVUUQM-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(CC(=O)NC[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CC1 ZINC001573897787 950963994 /nfs/dbraw/zinc/96/39/94/950963994.db2.gz SIKVTPJDMVUUQM-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(CC(=O)NC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1CC1 ZINC001573897792 950966515 /nfs/dbraw/zinc/96/65/15/950966515.db2.gz SMUGDBAKVPBOML-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(CC(=O)NC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1CC1 ZINC001573897792 950966522 /nfs/dbraw/zinc/96/65/22/950966522.db2.gz SMUGDBAKVPBOML-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1csc(Cl)n1 ZINC001575938461 950983531 /nfs/dbraw/zinc/98/35/31/950983531.db2.gz NTPUTAITZOOZNM-HTQZYQBOSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1csc(Cl)n1 ZINC001575938461 950983545 /nfs/dbraw/zinc/98/35/45/950983545.db2.gz NTPUTAITZOOZNM-HTQZYQBOSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)F)o1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575017343 950990848 /nfs/dbraw/zinc/99/08/48/950990848.db2.gz DNZJXHMIIRNDSA-MRVPVSSYSA-N -1 1 378.343 1.442 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)F)o1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575017343 950990854 /nfs/dbraw/zinc/99/08/54/950990854.db2.gz DNZJXHMIIRNDSA-MRVPVSSYSA-N -1 1 378.343 1.442 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)F)cc1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575017439 950995495 /nfs/dbraw/zinc/99/54/95/950995495.db2.gz GFWFJPSROABWFN-JTQLQIEISA-N -1 1 388.382 1.849 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N1CCC2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001575645038 951001267 /nfs/dbraw/zinc/00/12/67/951001267.db2.gz ZZWIIOKLEXEBHI-CYBMUJFWSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N1CCC2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575645038 951001289 /nfs/dbraw/zinc/00/12/89/951001289.db2.gz ZZWIIOKLEXEBHI-CYBMUJFWSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)F)o1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575019555 951041532 /nfs/dbraw/zinc/04/15/32/951041532.db2.gz ULJHKXKLPKSRLV-QMMMGPOBSA-N -1 1 378.343 1.087 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)cc1F)Nc1nccnc1-c1nnn[n-]1 ZINC001575023536 951080536 /nfs/dbraw/zinc/08/05/36/951080536.db2.gz NGACMSBFDSVJRK-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)cc1F)Nc1nccnc1-c1nn[n-]n1 ZINC001575023536 951080557 /nfs/dbraw/zinc/08/05/57/951080557.db2.gz NGACMSBFDSVJRK-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)c(F)c1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575023826 951087103 /nfs/dbraw/zinc/08/71/03/951087103.db2.gz QDDQIMPCXSHJNO-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)c(F)c1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575023826 951087118 /nfs/dbraw/zinc/08/71/18/951087118.db2.gz QDDQIMPCXSHJNO-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)cc1Cl)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575024330 951097610 /nfs/dbraw/zinc/09/76/10/951097610.db2.gz AYKXMVRHRAYEIL-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)cc1Cl)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575024330 951097622 /nfs/dbraw/zinc/09/76/22/951097622.db2.gz AYKXMVRHRAYEIL-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCCC2)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575024843 951117928 /nfs/dbraw/zinc/11/79/28/951117928.db2.gz NVTXXHKOMRHHFN-CYBMUJFWSA-N -1 1 392.467 1.790 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCCC2)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575024843 951117940 /nfs/dbraw/zinc/11/79/40/951117940.db2.gz NVTXXHKOMRHHFN-CYBMUJFWSA-N -1 1 392.467 1.790 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)COC2)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575025433 951130561 /nfs/dbraw/zinc/13/05/61/951130561.db2.gz ZHGBAHDUPYCYDV-LLVKDONJSA-N -1 1 380.412 1.165 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)COC2)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575025433 951130568 /nfs/dbraw/zinc/13/05/68/951130568.db2.gz ZHGBAHDUPYCYDV-LLVKDONJSA-N -1 1 380.412 1.165 20 0 GDADMM C[C@H](CNC(=O)c1cccnc1C(F)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575031670 951201611 /nfs/dbraw/zinc/20/16/11/951201611.db2.gz GMYKYOGGBDZRMB-MRVPVSSYSA-N -1 1 375.343 1.220 20 0 GDADMM C[C@H](CNC(=O)c1cccnc1C(F)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575031670 951201630 /nfs/dbraw/zinc/20/16/30/951201630.db2.gz GMYKYOGGBDZRMB-MRVPVSSYSA-N -1 1 375.343 1.220 20 0 GDADMM C[C@@H](CNC(=O)c1cccnc1C1CC1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575031887 951208487 /nfs/dbraw/zinc/20/84/87/951208487.db2.gz LGWVZLHLECXJTP-LLVKDONJSA-N -1 1 379.428 1.407 20 0 GDADMM C[C@@H](CNC(=O)c1cccnc1C1CC1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575031887 951208498 /nfs/dbraw/zinc/20/84/98/951208498.db2.gz LGWVZLHLECXJTP-LLVKDONJSA-N -1 1 379.428 1.407 20 0 GDADMM C[C@@H](CNC(=O)c1ccsc1Cl)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575037614 951308006 /nfs/dbraw/zinc/30/80/06/951308006.db2.gz BQBLCDWFRHSZDW-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@@H](CNC(=O)c1ccsc1Cl)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575040035 951336321 /nfs/dbraw/zinc/33/63/21/951336321.db2.gz SYKUPGAKUPIELS-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@@H](CNC(=O)c1ccsc1Cl)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575040035 951336337 /nfs/dbraw/zinc/33/63/37/951336337.db2.gz SYKUPGAKUPIELS-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@@H](CNC(=O)c1cnc(CC2CC2)s1)Nc1nccnc1-c1nnn[n-]1 ZINC001575043604 951398646 /nfs/dbraw/zinc/39/86/46/951398646.db2.gz KRHGBOIXXIEENY-VIFPVBQESA-N -1 1 385.457 1.296 20 0 GDADMM C[C@@H](CNC(=O)c1cnc(CC2CC2)s1)Nc1nccnc1-c1nn[n-]n1 ZINC001575043604 951398655 /nfs/dbraw/zinc/39/86/55/951398655.db2.gz KRHGBOIXXIEENY-VIFPVBQESA-N -1 1 385.457 1.296 20 0 GDADMM C[C@H](CNC(=O)c1cnsn1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575053421 951479131 /nfs/dbraw/zinc/47/91/31/951479131.db2.gz CLBXUZWTTDSEGQ-RXMQYKEDSA-N -1 1 385.866 1.306 20 0 GDADMM C[C@H](CNC(=O)c1cnsn1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575053421 951479139 /nfs/dbraw/zinc/47/91/39/951479139.db2.gz CLBXUZWTTDSEGQ-RXMQYKEDSA-N -1 1 385.866 1.306 20 0 GDADMM CC(C)(C)OC(=O)[C@@](C)(O)CNCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001602874649 971750769 /nfs/dbraw/zinc/75/07/69/971750769.db2.gz UURFFYSPLUJEIX-DJJJIMSYSA-N -1 1 382.457 1.763 20 0 GDADMM C[C@H](CNC(=O)c1coc(C2CCC2)n1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575056175 951519123 /nfs/dbraw/zinc/51/91/23/951519123.db2.gz GGVNFMHQPPJTOX-JTQLQIEISA-N -1 1 383.416 1.390 20 0 GDADMM C[C@H](CNC(=O)c1coc(C2CCC2)n1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575056175 951519129 /nfs/dbraw/zinc/51/91/29/951519129.db2.gz GGVNFMHQPPJTOX-JTQLQIEISA-N -1 1 383.416 1.390 20 0 GDADMM C[C@H](CNC(=O)c1csc(C2CC2)n1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575056617 951521470 /nfs/dbraw/zinc/52/14/70/951521470.db2.gz JSARBEJMZKSONE-VIFPVBQESA-N -1 1 385.457 1.469 20 0 GDADMM C[C@H](CNC(=O)c1csc(C2CC2)n1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575056617 951521478 /nfs/dbraw/zinc/52/14/78/951521478.db2.gz JSARBEJMZKSONE-VIFPVBQESA-N -1 1 385.457 1.469 20 0 GDADMM C[C@@H](CNC(=O)c1coc(CC2CC2)n1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575056643 951522128 /nfs/dbraw/zinc/52/21/28/951522128.db2.gz KIMRGLNHRBDJTN-SNVBAGLBSA-N -1 1 383.416 1.075 20 0 GDADMM C[C@@H](CNC(=O)c1coc(CC2CC2)n1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575056643 951522133 /nfs/dbraw/zinc/52/21/33/951522133.db2.gz KIMRGLNHRBDJTN-SNVBAGLBSA-N -1 1 383.416 1.075 20 0 GDADMM C[C@@H](CNC(=O)c1csc(C(C)(C)C)n1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575058820 951535060 /nfs/dbraw/zinc/53/50/60/951535060.db2.gz VKYSAQKZRBASFA-VIFPVBQESA-N -1 1 387.473 1.641 20 0 GDADMM C[C@@H](CNC(=O)c1csc(C(C)(C)C)n1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575058820 951535072 /nfs/dbraw/zinc/53/50/72/951535072.db2.gz VKYSAQKZRBASFA-VIFPVBQESA-N -1 1 387.473 1.641 20 0 GDADMM C[C@@H](CNC(=O)c1scnc1Cl)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575070152 951648764 /nfs/dbraw/zinc/64/87/64/951648764.db2.gz OCRJKHHIKHNUTA-ZETCQYMHSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@@H](CNC(=O)c1scnc1Cl)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575070152 951648775 /nfs/dbraw/zinc/64/87/75/951648775.db2.gz OCRJKHHIKHNUTA-ZETCQYMHSA-N -1 1 379.837 1.021 20 0 GDADMM O=C([O-])CN1CCC[C@H](C(=O)Nc2n[nH]c3nc(C(F)(F)F)ccc23)C1=O ZINC001595086680 951736555 /nfs/dbraw/zinc/73/65/55/951736555.db2.gz FUGCNLFLOZDXRS-MRVPVSSYSA-N -1 1 385.302 1.238 20 0 GDADMM C[C@@](CNc1ccc(-c2nn[nH]n2)nc1)(NC(=O)c1ncccc1[O-])C1CC1 ZINC001575126958 952053772 /nfs/dbraw/zinc/05/37/72/952053772.db2.gz VFQIHZDGLYZZKX-SFHVURJKSA-N -1 1 380.412 1.373 20 0 GDADMM O=C([O-])Cn1cc(C(=O)N2CCC[C@@H](c3nnc(-c4ccccc4)[nH]3)C2)nn1 ZINC001595141707 952084481 /nfs/dbraw/zinc/08/44/81/952084481.db2.gz DJFFZIYNALFLKK-CYBMUJFWSA-N -1 1 381.396 1.168 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001575131863 952089727 /nfs/dbraw/zinc/08/97/27/952089727.db2.gz BYINNNHYFOKEJD-IINYFYTJSA-N -1 1 382.403 1.395 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001575131863 952089737 /nfs/dbraw/zinc/08/97/37/952089737.db2.gz BYINNNHYFOKEJD-IINYFYTJSA-N -1 1 382.403 1.395 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ccnc(C2CC2)c1 ZINC001575136900 952130659 /nfs/dbraw/zinc/13/06/59/952130659.db2.gz REZNRIBLXTUWGL-NSHDSACASA-N -1 1 379.428 1.502 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ccnc(C2CC2)c1 ZINC001575136900 952130666 /nfs/dbraw/zinc/13/06/66/952130666.db2.gz REZNRIBLXTUWGL-NSHDSACASA-N -1 1 379.428 1.502 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)Cc1cccc(Cl)c1 ZINC001575142698 952148488 /nfs/dbraw/zinc/14/84/88/952148488.db2.gz KWCLMSYURPHVBZ-NSHDSACASA-N -1 1 386.847 1.234 20 0 GDADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)C1CC2(CCC2)C1)C1CC1 ZINC001575145643 952187703 /nfs/dbraw/zinc/18/77/03/952187703.db2.gz BVUQWRVMJYHIDS-GOSISDBHSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)C1CC2(CCC2)C1)C1CC1 ZINC001575145643 952187708 /nfs/dbraw/zinc/18/77/08/952187708.db2.gz BVUQWRVMJYHIDS-GOSISDBHSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)[C@H]1CCC(F)(F)C1)C1CC1 ZINC001575146218 952192462 /nfs/dbraw/zinc/19/24/62/952192462.db2.gz IENJWZMRSJLFES-QFYYESIMSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)[C@H]1CCC(F)(F)C1)C1CC1 ZINC001575146218 952192466 /nfs/dbraw/zinc/19/24/66/952192466.db2.gz IENJWZMRSJLFES-QFYYESIMSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001575153784 952214033 /nfs/dbraw/zinc/21/40/33/952214033.db2.gz KVDAPCHOZUEFFH-CFVMTHIKSA-N -1 1 378.440 1.719 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001575153784 952214041 /nfs/dbraw/zinc/21/40/41/952214041.db2.gz KVDAPCHOZUEFFH-CFVMTHIKSA-N -1 1 378.440 1.719 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)C(C)(C)[C@H]1CCCCO1 ZINC001575155039 952232664 /nfs/dbraw/zinc/23/26/64/952232664.db2.gz JPDWTYCEZULIFZ-TZMCWYRMSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)C(C)(C)[C@H]1CCCCO1 ZINC001575155039 952232670 /nfs/dbraw/zinc/23/26/70/952232670.db2.gz JPDWTYCEZULIFZ-TZMCWYRMSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)[C@@H]1CCC(F)(F)C1)C1CC1 ZINC001575155864 952244847 /nfs/dbraw/zinc/24/48/47/952244847.db2.gz PMQSDKWYEZWTBD-HWPZZCPQSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)[C@@H]1CCC(F)(F)C1)C1CC1 ZINC001575155864 952244852 /nfs/dbraw/zinc/24/48/52/952244852.db2.gz PMQSDKWYEZWTBD-HWPZZCPQSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H]1CCc2cccnc21 ZINC001575155819 952245602 /nfs/dbraw/zinc/24/56/02/952245602.db2.gz AJIDSQUZLZSFOF-WCQYABFASA-N -1 1 379.428 1.041 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCc2cccnc21 ZINC001575155819 952245611 /nfs/dbraw/zinc/24/56/11/952245611.db2.gz AJIDSQUZLZSFOF-WCQYABFASA-N -1 1 379.428 1.041 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1onc2c1CCCC2 ZINC001575156297 952251312 /nfs/dbraw/zinc/25/13/12/952251312.db2.gz SNOUZCCRIMIBBS-JTQLQIEISA-N -1 1 383.416 1.096 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1onc2c1CCCC2 ZINC001575156297 952251318 /nfs/dbraw/zinc/25/13/18/952251318.db2.gz SNOUZCCRIMIBBS-JTQLQIEISA-N -1 1 383.416 1.096 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1c(F)cc(F)cc1F ZINC001575159009 952274653 /nfs/dbraw/zinc/27/46/53/952274653.db2.gz YBJXXOYXFZZUNU-MRVPVSSYSA-N -1 1 392.345 1.647 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1c(F)cc(F)cc1F ZINC001575159009 952274659 /nfs/dbraw/zinc/27/46/59/952274659.db2.gz YBJXXOYXFZZUNU-MRVPVSSYSA-N -1 1 392.345 1.647 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)C[C@@H]1CCC(C)(C)CO1 ZINC001575174143 952365856 /nfs/dbraw/zinc/36/58/56/952365856.db2.gz HXPGBIJIQAXPLO-OLZOCXBDSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)C[C@@H]1CCC(C)(C)CO1 ZINC001575174143 952365863 /nfs/dbraw/zinc/36/58/63/952365863.db2.gz HXPGBIJIQAXPLO-OLZOCXBDSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)C[C@@H]1CCCCO1)C1CC1 ZINC001575174509 952373736 /nfs/dbraw/zinc/37/37/36/952373736.db2.gz PUFIUTSLUNKPBG-UGSOOPFHSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)C[C@@H]1CCCCO1)C1CC1 ZINC001575174509 952373744 /nfs/dbraw/zinc/37/37/44/952373744.db2.gz PUFIUTSLUNKPBG-UGSOOPFHSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)COC1CCCC1)C1CC1 ZINC001575174740 952377941 /nfs/dbraw/zinc/37/79/41/952377941.db2.gz RZOKYIXNBJKLDZ-GOSISDBHSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)COC1CCCC1)C1CC1 ZINC001575174740 952377944 /nfs/dbraw/zinc/37/79/44/952377944.db2.gz RZOKYIXNBJKLDZ-GOSISDBHSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)[C@@H]1Cc2ccccc21)C1CC1 ZINC001575175183 952383469 /nfs/dbraw/zinc/38/34/69/952383469.db2.gz VQOZSAKCYZOWEK-QRWLVFNGSA-N -1 1 390.451 1.693 20 0 GDADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)[C@@H]1Cc2ccccc21)C1CC1 ZINC001575175183 952383476 /nfs/dbraw/zinc/38/34/76/952383476.db2.gz VQOZSAKCYZOWEK-QRWLVFNGSA-N -1 1 390.451 1.693 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)C1(c2ccccc2)CC1 ZINC001575175187 952384125 /nfs/dbraw/zinc/38/41/25/952384125.db2.gz VRNZMGOINHKPTC-CYBMUJFWSA-N -1 1 378.440 1.647 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)C1(c2ccccc2)CC1 ZINC001575175187 952384132 /nfs/dbraw/zinc/38/41/32/952384132.db2.gz VRNZMGOINHKPTC-CYBMUJFWSA-N -1 1 378.440 1.647 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)c1ccnn1C ZINC001575180551 952418191 /nfs/dbraw/zinc/41/81/91/952418191.db2.gz VWPDFIFPWYEOOY-SSDOTTSWSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)c1ccnn1C ZINC001575180551 952418195 /nfs/dbraw/zinc/41/81/95/952418195.db2.gz VWPDFIFPWYEOOY-SSDOTTSWSA-N -1 1 381.853 1.283 20 0 GDADMM CN(C)C1CN(C(=O)Nc2cc(I)cc(C(=O)[O-])c2)C1 ZINC000382764739 971831859 /nfs/dbraw/zinc/83/18/59/971831859.db2.gz SJGHHCYHVQZPLZ-UHFFFAOYSA-N -1 1 389.193 1.767 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H](C)Cc1ccccc1F ZINC001575187256 952438354 /nfs/dbraw/zinc/43/83/54/952438354.db2.gz BITWWCHBYRFYEA-VXGBXAGGSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H](C)Cc1ccccc1F ZINC001575187256 952438358 /nfs/dbraw/zinc/43/83/58/952438358.db2.gz BITWWCHBYRFYEA-VXGBXAGGSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@@H](Cc1ccc(F)cc1)C(=O)N(C)CCNc1nccnc1-c1nnn[n-]1 ZINC001575188899 952451436 /nfs/dbraw/zinc/45/14/36/952451436.db2.gz KXLOEKYBWWYKDT-LBPRGKRZSA-N -1 1 384.419 1.545 20 0 GDADMM C[C@@H](Cc1ccc(F)cc1)C(=O)N(C)CCNc1nccnc1-c1nn[n-]n1 ZINC001575188899 952451439 /nfs/dbraw/zinc/45/14/39/952451439.db2.gz KXLOEKYBWWYKDT-LBPRGKRZSA-N -1 1 384.419 1.545 20 0 GDADMM C[C@H](Cc1ccc(F)cc1)C(=O)N(C)CCNc1nccnc1-c1nnn[n-]1 ZINC001575188898 952451552 /nfs/dbraw/zinc/45/15/52/952451552.db2.gz KXLOEKYBWWYKDT-GFCCVEGCSA-N -1 1 384.419 1.545 20 0 GDADMM C[C@H](Cc1ccc(F)cc1)C(=O)N(C)CCNc1nccnc1-c1nn[n-]n1 ZINC001575188898 952451555 /nfs/dbraw/zinc/45/15/55/952451555.db2.gz KXLOEKYBWWYKDT-GFCCVEGCSA-N -1 1 384.419 1.545 20 0 GDADMM CC(=O)N1CC[C@@H](C(F)(F)F)[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571114337 952453258 /nfs/dbraw/zinc/45/32/58/952453258.db2.gz GXVMNZPJQVKMHI-RKDXNWHRSA-N -1 1 375.380 1.843 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC001575189839 952460234 /nfs/dbraw/zinc/46/02/34/952460234.db2.gz QZIUMYUWTDNJOK-RYUDHWBXSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC001575189839 952460238 /nfs/dbraw/zinc/46/02/38/952460238.db2.gz QZIUMYUWTDNJOK-RYUDHWBXSA-N -1 1 384.419 1.591 20 0 GDADMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571114743 952460643 /nfs/dbraw/zinc/46/06/43/952460643.db2.gz NOSNNPVVFXEESC-UHFFFAOYSA-N -1 1 375.389 1.462 20 0 GDADMM C[C@H](Cc1ccccc1F)C(=O)NCCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575190961 952465339 /nfs/dbraw/zinc/46/53/39/952465339.db2.gz VOIYPDXGACICES-GFCCVEGCSA-N -1 1 384.419 1.227 20 0 GDADMM C[C@H](Cc1ccccc1F)C(=O)NCCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575190961 952465341 /nfs/dbraw/zinc/46/53/41/952465341.db2.gz VOIYPDXGACICES-GFCCVEGCSA-N -1 1 384.419 1.227 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575191168 952467276 /nfs/dbraw/zinc/46/72/76/952467276.db2.gz XMBJSLRWBSRVDR-STQMWFEESA-N -1 1 382.428 1.166 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NCCN(c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001575196207 952474743 /nfs/dbraw/zinc/47/47/43/952474743.db2.gz FMRGSXSOTHRBNZ-GFCCVEGCSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NCCN(c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001575196207 952474745 /nfs/dbraw/zinc/47/47/45/952474745.db2.gz FMRGSXSOTHRBNZ-GFCCVEGCSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCC1 ZINC001575196816 952477149 /nfs/dbraw/zinc/47/71/49/952477149.db2.gz JKNYDQGDVDAHKV-GFCCVEGCSA-N -1 1 382.428 1.001 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575196821 952477258 /nfs/dbraw/zinc/47/72/58/952477258.db2.gz JKSNUUITXMKYGD-STQMWFEESA-N -1 1 382.428 1.214 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575196821 952477261 /nfs/dbraw/zinc/47/72/61/952477261.db2.gz JKSNUUITXMKYGD-STQMWFEESA-N -1 1 382.428 1.214 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@]1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575197184 952480560 /nfs/dbraw/zinc/48/05/60/952480560.db2.gz OXBBCYHQIQAPRE-KZULUSFZSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@]1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575197184 952480563 /nfs/dbraw/zinc/48/05/63/952480563.db2.gz OXBBCYHQIQAPRE-KZULUSFZSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC001575197310 952481817 /nfs/dbraw/zinc/48/18/17/952481817.db2.gz SQFHKXPXEOFAKS-SCRDCRAPSA-N -1 1 382.428 1.212 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C ZINC001575197310 952481820 /nfs/dbraw/zinc/48/18/20/952481820.db2.gz SQFHKXPXEOFAKS-SCRDCRAPSA-N -1 1 382.428 1.212 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575197434 952484790 /nfs/dbraw/zinc/48/47/90/952484790.db2.gz VTCVKGGDXRRVOU-STQMWFEESA-N -1 1 382.428 1.531 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575197434 952484795 /nfs/dbraw/zinc/48/47/95/952484795.db2.gz VTCVKGGDXRRVOU-STQMWFEESA-N -1 1 382.428 1.531 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575197791 952486716 /nfs/dbraw/zinc/48/67/16/952486716.db2.gz ZSZICRCIXUSFAR-STQMWFEESA-N -1 1 382.428 1.214 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cc1 ZINC001571120034 952498201 /nfs/dbraw/zinc/49/82/01/952498201.db2.gz IMFKNYZZRKUKGX-IUODEOHRSA-N -1 1 376.424 1.554 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cc1 ZINC001571120034 952498204 /nfs/dbraw/zinc/49/82/04/952498204.db2.gz IMFKNYZZRKUKGX-IUODEOHRSA-N -1 1 376.424 1.554 20 0 GDADMM CC1(C)CO[C@H](CC(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001571123094 952527667 /nfs/dbraw/zinc/52/76/67/952527667.db2.gz OIGGVLKZIYMHRQ-GFCCVEGCSA-N -1 1 376.486 1.434 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1sccc1Cl ZINC001571123057 952528068 /nfs/dbraw/zinc/52/80/68/952528068.db2.gz MTSANCTYGLFJDX-ZKCHVHJHSA-N -1 1 376.833 1.745 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1sccc1Cl ZINC001571123057 952528078 /nfs/dbraw/zinc/52/80/78/952528078.db2.gz MTSANCTYGLFJDX-ZKCHVHJHSA-N -1 1 376.833 1.745 20 0 GDADMM C[C@H](Cn1ccnc1)NC(=O)Nc1ccc(Br)c(-c2nnn[n-]2)n1 ZINC001575206656 952531225 /nfs/dbraw/zinc/53/12/25/952531225.db2.gz KVWVADQAMOXZPW-MRVPVSSYSA-N -1 1 392.221 1.431 20 0 GDADMM C[C@H](Cn1ccnc1)NC(=O)Nc1ccc(Br)c(-c2nn[n-]n2)n1 ZINC001575206656 952531229 /nfs/dbraw/zinc/53/12/29/952531229.db2.gz KVWVADQAMOXZPW-MRVPVSSYSA-N -1 1 392.221 1.431 20 0 GDADMM CCC1(C(=O)N2CCO[C@@H](CNc3snc(C)c3-c3nn[n-]n3)C2)CC1 ZINC001571127291 952552349 /nfs/dbraw/zinc/55/23/49/952552349.db2.gz CPNPUJYVJRMTDH-NSHDSACASA-N -1 1 377.474 1.461 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575213692 952560055 /nfs/dbraw/zinc/56/00/55/952560055.db2.gz FYSFVFKCYUZTJQ-UHFFFAOYSA-N -1 1 380.403 1.645 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575213692 952560059 /nfs/dbraw/zinc/56/00/59/952560059.db2.gz FYSFVFKCYUZTJQ-UHFFFAOYSA-N -1 1 380.403 1.645 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001575214986 952568121 /nfs/dbraw/zinc/56/81/21/952568121.db2.gz QTIFMXNUJKXIGJ-NSHDSACASA-N -1 1 380.403 1.645 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001575214986 952568124 /nfs/dbraw/zinc/56/81/24/952568124.db2.gz QTIFMXNUJKXIGJ-NSHDSACASA-N -1 1 380.403 1.645 20 0 GDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)N1CCC2(CCNC(=O)O2)CC1 ZINC001571129012 952573377 /nfs/dbraw/zinc/57/33/77/952573377.db2.gz ZEVDILMMNUKYMJ-UHFFFAOYSA-N -1 1 377.430 1.102 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCN(C(=O)C3CC(F)(F)C3)C2)n1 ZINC001571129237 952574447 /nfs/dbraw/zinc/57/44/47/952574447.db2.gz BNXZVFXWJZNMIC-LLVKDONJSA-N -1 1 378.387 1.413 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCN(C(=O)C3CC(F)(F)C3)C2)n1 ZINC001571129237 952574450 /nfs/dbraw/zinc/57/44/50/952574450.db2.gz BNXZVFXWJZNMIC-LLVKDONJSA-N -1 1 378.387 1.413 20 0 GDADMM O=C(NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)[C@@H]1CCC(F)(F)C1 ZINC001571130894 952582509 /nfs/dbraw/zinc/58/25/09/952582509.db2.gz XUWIXESGDVFABF-WDEREUQCSA-N -1 1 378.387 1.035 20 0 GDADMM O=C(NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)[C@@H]1CCC(F)(F)C1 ZINC001571130894 952582514 /nfs/dbraw/zinc/58/25/14/952582514.db2.gz XUWIXESGDVFABF-WDEREUQCSA-N -1 1 378.387 1.035 20 0 GDADMM Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001571133954 952583760 /nfs/dbraw/zinc/58/37/60/952583760.db2.gz ABCDTZSOCMRJGG-HIFRSBDPSA-N -1 1 378.440 1.785 20 0 GDADMM Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571133954 952583764 /nfs/dbraw/zinc/58/37/64/952583764.db2.gz ABCDTZSOCMRJGG-HIFRSBDPSA-N -1 1 378.440 1.785 20 0 GDADMM Cc1ccc(C(=O)N2C[C@H](C)[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001571133956 952584027 /nfs/dbraw/zinc/58/40/27/952584027.db2.gz ABCDTZSOCMRJGG-ZFWWWQNUSA-N -1 1 378.440 1.785 20 0 GDADMM Cc1ccc(C(=O)N2C[C@H](C)[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571133956 952584037 /nfs/dbraw/zinc/58/40/37/952584037.db2.gz ABCDTZSOCMRJGG-ZFWWWQNUSA-N -1 1 378.440 1.785 20 0 GDADMM CCc1ccc(C(=O)NC2CC(CNc3nccnc3-c3nnn[n-]3)C2)cc1 ZINC001571134862 952596441 /nfs/dbraw/zinc/59/64/41/952596441.db2.gz LUJXQCGPXRCFHO-UHFFFAOYSA-N -1 1 378.440 1.840 20 0 GDADMM CCc1ccc(C(=O)NC2CC(CNc3nccnc3-c3nn[n-]n3)C2)cc1 ZINC001571134862 952596444 /nfs/dbraw/zinc/59/64/44/952596444.db2.gz LUJXQCGPXRCFHO-UHFFFAOYSA-N -1 1 378.440 1.840 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@](C)(CNc3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001571135037 952598578 /nfs/dbraw/zinc/59/85/78/952598578.db2.gz QMKOITIQGCWIAQ-LJQANCHMSA-N -1 1 378.440 1.929 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@](C)(CNc3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001571135037 952598581 /nfs/dbraw/zinc/59/85/81/952598581.db2.gz QMKOITIQGCWIAQ-LJQANCHMSA-N -1 1 378.440 1.929 20 0 GDADMM CCc1ccccc1C(=O)N1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001571134991 952598873 /nfs/dbraw/zinc/59/88/73/952598873.db2.gz OIVZYLKOAQNBJV-WFASDCNBSA-N -1 1 378.440 1.214 20 0 GDADMM Cc1ccc(C(=O)NC[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)c(C)c1 ZINC001571135237 952601607 /nfs/dbraw/zinc/60/16/07/952601607.db2.gz UHLPKICLEMTNLM-CQSZACIVSA-N -1 1 378.440 1.530 20 0 GDADMM Cc1ccc(C(=O)NC[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)c(C)c1 ZINC001571135237 952601608 /nfs/dbraw/zinc/60/16/08/952601608.db2.gz UHLPKICLEMTNLM-CQSZACIVSA-N -1 1 378.440 1.530 20 0 GDADMM Cc1cccc(C(=O)N2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C(C)(C)C2)c1 ZINC001571135218 952601624 /nfs/dbraw/zinc/60/16/24/952601624.db2.gz TWXHOUUJIDSUGI-CQSZACIVSA-N -1 1 378.440 1.928 20 0 GDADMM Cc1cccc(C(=O)N2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C(C)(C)C2)c1 ZINC001571135218 952601626 /nfs/dbraw/zinc/60/16/26/952601626.db2.gz TWXHOUUJIDSUGI-CQSZACIVSA-N -1 1 378.440 1.928 20 0 GDADMM CCn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571147163 952658081 /nfs/dbraw/zinc/65/80/81/952658081.db2.gz HXTREJIPZOBRSV-BNOWGMLFSA-N -1 1 379.428 1.018 20 0 GDADMM CCn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571147163 952658083 /nfs/dbraw/zinc/65/80/83/952658083.db2.gz HXTREJIPZOBRSV-BNOWGMLFSA-N -1 1 379.428 1.018 20 0 GDADMM CCc1cccc(C(=O)N(C)C2CC(Nc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571147407 952660814 /nfs/dbraw/zinc/66/08/14/952660814.db2.gz MEASFIQJMKNJAU-UHFFFAOYSA-N -1 1 379.428 1.329 20 0 GDADMM CCc1cccc(C(=O)N(C)C2CC(Nc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571147407 952660817 /nfs/dbraw/zinc/66/08/17/952660817.db2.gz MEASFIQJMKNJAU-UHFFFAOYSA-N -1 1 379.428 1.329 20 0 GDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CCN(C(=O)c2ccncc2)CC1 ZINC001571147848 952664538 /nfs/dbraw/zinc/66/45/38/952664538.db2.gz RDWMGLVDGQGCTK-GFCCVEGCSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CCN(C(=O)c2ccncc2)CC1 ZINC001571147848 952664541 /nfs/dbraw/zinc/66/45/41/952664541.db2.gz RDWMGLVDGQGCTK-GFCCVEGCSA-N -1 1 379.428 1.405 20 0 GDADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NCC(=O)C1CCC(F)(F)CC1 ZINC001571153891 952686996 /nfs/dbraw/zinc/68/69/96/952686996.db2.gz UWQAWFGEGFKJJV-UHFFFAOYSA-N -1 1 380.355 1.400 20 0 GDADMM COCc1ccc(C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001571155172 952693797 /nfs/dbraw/zinc/69/37/97/952693797.db2.gz JSUWLNLFQSBGMP-OKILXGFUSA-N -1 1 380.412 1.176 20 0 GDADMM COCc1ccc(C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571155172 952693801 /nfs/dbraw/zinc/69/38/01/952693801.db2.gz JSUWLNLFQSBGMP-OKILXGFUSA-N -1 1 380.412 1.176 20 0 GDADMM CC(C)(C(=O)N1CCC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)C(F)F ZINC001571155467 952698241 /nfs/dbraw/zinc/69/82/41/952698241.db2.gz SYROVDTZPIMENY-SNVBAGLBSA-N -1 1 380.403 1.599 20 0 GDADMM CC(C)(C(=O)N1CCC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)C(F)F ZINC001571155467 952698243 /nfs/dbraw/zinc/69/82/43/952698243.db2.gz SYROVDTZPIMENY-SNVBAGLBSA-N -1 1 380.403 1.599 20 0 GDADMM Cc1cnc(C(=O)N2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C[C@H]2C)cc1C ZINC001571156024 952700750 /nfs/dbraw/zinc/70/07/50/952700750.db2.gz AXIDPCBRPPGXQJ-OLZOCXBDSA-N -1 1 379.428 1.384 20 0 GDADMM Cc1cnc(C(=O)N2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C[C@H]2C)cc1C ZINC001571156024 952700752 /nfs/dbraw/zinc/70/07/52/952700752.db2.gz AXIDPCBRPPGXQJ-OLZOCXBDSA-N -1 1 379.428 1.384 20 0 GDADMM Cc1ccc(C(=O)NC2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)nc1C ZINC001571156679 952704079 /nfs/dbraw/zinc/70/40/79/952704079.db2.gz GXHULBKESWGDHS-UHFFFAOYSA-N -1 1 379.428 1.067 20 0 GDADMM Cc1cccc(C(=O)N[C@H]2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)CC2)n1 ZINC001571157124 952706787 /nfs/dbraw/zinc/70/67/87/952706787.db2.gz MRYBKRQVDQSXEC-JOCQHMNTSA-N -1 1 379.428 1.513 20 0 GDADMM Cc1cccc(C(=O)N[C@H]2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)CC2)n1 ZINC001571157124 952706789 /nfs/dbraw/zinc/70/67/89/952706789.db2.gz MRYBKRQVDQSXEC-JOCQHMNTSA-N -1 1 379.428 1.513 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CC[C@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571157136 952706908 /nfs/dbraw/zinc/70/69/08/952706908.db2.gz MXIXKYHCXYTBCN-SFHVURJKSA-N -1 1 379.428 1.036 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CC[C@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571157136 952706910 /nfs/dbraw/zinc/70/69/10/952706910.db2.gz MXIXKYHCXYTBCN-SFHVURJKSA-N -1 1 379.428 1.036 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CC[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571157133 952707045 /nfs/dbraw/zinc/70/70/45/952707045.db2.gz MXIXKYHCXYTBCN-GOSISDBHSA-N -1 1 379.428 1.036 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CC[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571157133 952707047 /nfs/dbraw/zinc/70/70/47/952707047.db2.gz MXIXKYHCXYTBCN-GOSISDBHSA-N -1 1 379.428 1.036 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]32)o1 ZINC001571158499 952712377 /nfs/dbraw/zinc/71/23/77/952712377.db2.gz JRUKFFSUWWRLSV-QWHCGFSZSA-N -1 1 380.412 1.299 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]32)o1 ZINC001571158499 952712383 /nfs/dbraw/zinc/71/23/83/952712383.db2.gz JRUKFFSUWWRLSV-QWHCGFSZSA-N -1 1 380.412 1.299 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccco3)C2)n1 ZINC001571158524 952712652 /nfs/dbraw/zinc/71/26/52/952712652.db2.gz KNMVPVWYRWAMPG-JHJVBQTASA-N -1 1 380.412 1.375 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccco3)C2)n1 ZINC001571158524 952712659 /nfs/dbraw/zinc/71/26/59/952712659.db2.gz KNMVPVWYRWAMPG-JHJVBQTASA-N -1 1 380.412 1.375 20 0 GDADMM COc1cccc(C(=O)N[C@@]2(C)CCN(c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571159273 952718796 /nfs/dbraw/zinc/71/87/96/952718796.db2.gz SOMKELPZXPBITA-SFHVURJKSA-N -1 1 380.412 1.064 20 0 GDADMM COc1cccc(C(=O)N[C@@]2(C)CCN(c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571159273 952718802 /nfs/dbraw/zinc/71/88/02/952718802.db2.gz SOMKELPZXPBITA-SFHVURJKSA-N -1 1 380.412 1.064 20 0 GDADMM Cc1cc(C(=O)N(C)[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)cc(C)n1 ZINC001571159697 952721306 /nfs/dbraw/zinc/72/13/06/952721306.db2.gz VUENIMSMCXKEQE-AWEZNQCLSA-N -1 1 379.428 1.019 20 0 GDADMM O=C(N[C@@H]1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1)c1ccccc1O ZINC001571160316 952725353 /nfs/dbraw/zinc/72/53/53/952725353.db2.gz GZCVKCMSNBSHFV-WCQYABFASA-N -1 1 380.412 1.373 20 0 GDADMM O=C(N[C@@H]1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1)c1ccccc1O ZINC001571160316 952725356 /nfs/dbraw/zinc/72/53/56/952725356.db2.gz GZCVKCMSNBSHFV-WCQYABFASA-N -1 1 380.412 1.373 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccoc1C1CC1 ZINC001571161205 952730536 /nfs/dbraw/zinc/73/05/36/952730536.db2.gz RDCFEXKBODMPSB-GFCCVEGCSA-N -1 1 380.412 1.526 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccoc1C1CC1 ZINC001571161205 952730539 /nfs/dbraw/zinc/73/05/39/952730539.db2.gz RDCFEXKBODMPSB-GFCCVEGCSA-N -1 1 380.412 1.526 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1O ZINC001571161434 952733424 /nfs/dbraw/zinc/73/34/24/952733424.db2.gz VNRXQWFMSJVGNO-RYUDHWBXSA-N -1 1 380.412 1.373 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1O ZINC001571161434 952733428 /nfs/dbraw/zinc/73/34/28/952733428.db2.gz VNRXQWFMSJVGNO-RYUDHWBXSA-N -1 1 380.412 1.373 20 0 GDADMM O=C(c1ccoc1C1CC1)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571161628 952734331 /nfs/dbraw/zinc/73/43/31/952734331.db2.gz ZATMSONPKRHHKS-LBPRGKRZSA-N -1 1 380.412 1.844 20 0 GDADMM O=C(c1ccoc1C1CC1)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571161628 952734334 /nfs/dbraw/zinc/73/43/34/952734334.db2.gz ZATMSONPKRHHKS-LBPRGKRZSA-N -1 1 380.412 1.844 20 0 GDADMM COC(=O)C[C@@H](Cc1ccccc1)NC(=O)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001571171092 952792047 /nfs/dbraw/zinc/79/20/47/952792047.db2.gz OCJHGTGVFSSVIL-CQSZACIVSA-N -1 1 381.396 1.558 20 0 GDADMM COC(=O)C[C@@H](Cc1ccccc1)NC(=O)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001571171092 952792050 /nfs/dbraw/zinc/79/20/50/952792050.db2.gz OCJHGTGVFSSVIL-CQSZACIVSA-N -1 1 381.396 1.558 20 0 GDADMM O=C(N[C@]12CCC[C@@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001571172161 952803150 /nfs/dbraw/zinc/80/31/50/952803150.db2.gz OEQYFNDZENFIRN-KJJMCEAESA-N -1 1 380.456 1.320 20 0 GDADMM O=C(N[C@]12CCC[C@@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001571172161 952803155 /nfs/dbraw/zinc/80/31/55/952803155.db2.gz OEQYFNDZENFIRN-KJJMCEAESA-N -1 1 380.456 1.320 20 0 GDADMM O=C(N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001571172225 952804275 /nfs/dbraw/zinc/80/42/75/952804275.db2.gz PVBBCOWIDNLCSB-WBUWTLPESA-N -1 1 380.456 1.034 20 0 GDADMM O=C(N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001571172225 952804280 /nfs/dbraw/zinc/80/42/80/952804280.db2.gz PVBBCOWIDNLCSB-WBUWTLPESA-N -1 1 380.456 1.034 20 0 GDADMM O=C(NCC1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cc(C2CC2)on1 ZINC001571176351 952831187 /nfs/dbraw/zinc/83/11/87/952831187.db2.gz QECDMCXHNSIYJP-UHFFFAOYSA-N -1 1 381.400 1.143 20 0 GDADMM O=C(NCC1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cc(C2CC2)on1 ZINC001571176351 952831190 /nfs/dbraw/zinc/83/11/90/952831190.db2.gz QECDMCXHNSIYJP-UHFFFAOYSA-N -1 1 381.400 1.143 20 0 GDADMM CCc1[nH]ccc1C(=O)N[C@@H]1CC[C@H](C)N(c2nccnc2-c2nnn[n-]2)C1 ZINC001571183446 952878478 /nfs/dbraw/zinc/87/84/78/952878478.db2.gz AIGQVJDZXRLCMM-NWDGAFQWSA-N -1 1 381.444 1.335 20 0 GDADMM CCc1[nH]ccc1C(=O)N[C@@H]1CC[C@H](C)N(c2nccnc2-c2nn[n-]n2)C1 ZINC001571183446 952878482 /nfs/dbraw/zinc/87/84/82/952878482.db2.gz AIGQVJDZXRLCMM-NWDGAFQWSA-N -1 1 381.444 1.335 20 0 GDADMM CCc1[nH]ccc1C(=O)N[C@@H]1CC[C@@H](C)N(c2nccnc2-c2nnn[n-]2)C1 ZINC001571183448 952878986 /nfs/dbraw/zinc/87/89/86/952878986.db2.gz AIGQVJDZXRLCMM-VXGBXAGGSA-N -1 1 381.444 1.335 20 0 GDADMM CCc1[nH]ccc1C(=O)N[C@@H]1CC[C@@H](C)N(c2nccnc2-c2nn[n-]n2)C1 ZINC001571183448 952878991 /nfs/dbraw/zinc/87/89/91/952878991.db2.gz AIGQVJDZXRLCMM-VXGBXAGGSA-N -1 1 381.444 1.335 20 0 GDADMM C[C@@H]1CCN(C(=O)Cc2ccc[nH]2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571183729 952882198 /nfs/dbraw/zinc/88/21/98/952882198.db2.gz IFIXREJNEFKZGZ-OLZOCXBDSA-N -1 1 381.444 1.124 20 0 GDADMM C[C@@H]1CCN(C(=O)Cc2ccc[nH]2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571183729 952882205 /nfs/dbraw/zinc/88/22/05/952882205.db2.gz IFIXREJNEFKZGZ-OLZOCXBDSA-N -1 1 381.444 1.124 20 0 GDADMM Cc1c(C(=O)N2C[C@@H](C)[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)ccn1C ZINC001571184860 952897910 /nfs/dbraw/zinc/89/79/10/952897910.db2.gz FQXFLHQDHSBZKH-YPMHNXCESA-N -1 1 381.444 1.124 20 0 GDADMM Cc1c(C(=O)N2C[C@@H](C)[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)ccn1C ZINC001571184860 952897917 /nfs/dbraw/zinc/89/79/17/952897917.db2.gz FQXFLHQDHSBZKH-YPMHNXCESA-N -1 1 381.444 1.124 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CC[C@H](CCNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571185691 952903443 /nfs/dbraw/zinc/90/34/43/952903443.db2.gz OKIIDLRFGUGGIY-ZDUSSCGKSA-N -1 1 381.444 1.566 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CC[C@H](CCNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571185691 952903448 /nfs/dbraw/zinc/90/34/48/952903448.db2.gz OKIIDLRFGUGGIY-ZDUSSCGKSA-N -1 1 381.444 1.566 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H](CN(C)c3ccc(-c4nnn[n-]4)nn3)C2)c(C)[nH]1 ZINC001571188587 952917577 /nfs/dbraw/zinc/91/75/77/952917577.db2.gz LLPOOAQLZDUYKU-CYBMUJFWSA-N -1 1 381.444 1.200 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H](CN(C)c3ccc(-c4nn[n-]n4)nn3)C2)c(C)[nH]1 ZINC001571188587 952917585 /nfs/dbraw/zinc/91/75/85/952917585.db2.gz LLPOOAQLZDUYKU-CYBMUJFWSA-N -1 1 381.444 1.200 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@@H]2CN(c3nccnc3-c3nnn[n-]3)CC2(C)C)[nH]1 ZINC001571188869 952921423 /nfs/dbraw/zinc/92/14/23/952921423.db2.gz OMBSHWIKXBTRMG-GFCCVEGCSA-N -1 1 381.444 1.246 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[n-]n3)CC2(C)C)[nH]1 ZINC001571188869 952921432 /nfs/dbraw/zinc/92/14/32/952921432.db2.gz OMBSHWIKXBTRMG-GFCCVEGCSA-N -1 1 381.444 1.246 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CC[C@@H](C)[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571189539 952930516 /nfs/dbraw/zinc/93/05/16/952930516.db2.gz WZBOAFZGORIZJA-DGCLKSJQSA-N -1 1 381.444 1.504 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CC[C@@H](C)[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571189539 952930520 /nfs/dbraw/zinc/93/05/20/952930520.db2.gz WZBOAFZGORIZJA-DGCLKSJQSA-N -1 1 381.444 1.504 20 0 GDADMM CN(C(=O)c1cnon1)C1CC(Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571190019 952938262 /nfs/dbraw/zinc/93/82/62/952938262.db2.gz CKYZDGMYDOXVOU-UHFFFAOYSA-N -1 1 381.809 1.075 20 0 GDADMM CN(C(=O)c1cnon1)C1CC(Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571190019 952938267 /nfs/dbraw/zinc/93/82/67/952938267.db2.gz CKYZDGMYDOXVOU-UHFFFAOYSA-N -1 1 381.809 1.075 20 0 GDADMM C[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)C[C@H]1NC(=O)[C@H]1CC1(C)C ZINC001571192860 952950399 /nfs/dbraw/zinc/95/03/99/952950399.db2.gz XLKNUSXVCRAEAF-IWSPIJDZSA-N -1 1 381.893 1.964 20 0 GDADMM C[C@@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)C[C@H]1NC(=O)[C@H]1CC1(C)C ZINC001571192860 952950403 /nfs/dbraw/zinc/95/04/03/952950403.db2.gz XLKNUSXVCRAEAF-IWSPIJDZSA-N -1 1 381.893 1.964 20 0 GDADMM Cc1ccc(C(=O)N2C[C@H](Nc3nccnc3-c3nnn[n-]3)C[C@H]2C)c(F)c1 ZINC001571195611 952978103 /nfs/dbraw/zinc/97/81/03/952978103.db2.gz COOHSUDKBIPUCO-VXGBXAGGSA-N -1 1 382.403 1.819 20 0 GDADMM Cc1ccc(C(=O)N2C[C@H](Nc3nccnc3-c3nn[n-]n3)C[C@H]2C)c(F)c1 ZINC001571195611 952978109 /nfs/dbraw/zinc/97/81/09/952978109.db2.gz COOHSUDKBIPUCO-VXGBXAGGSA-N -1 1 382.403 1.819 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)cc(C)c1F ZINC001571196054 952979920 /nfs/dbraw/zinc/97/99/20/952979920.db2.gz HAHFCUCBFOOJNX-ZDUSSCGKSA-N -1 1 382.403 1.421 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)cc(C)c1F ZINC001571196054 952979930 /nfs/dbraw/zinc/97/99/30/952979930.db2.gz HAHFCUCBFOOJNX-ZDUSSCGKSA-N -1 1 382.403 1.421 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)Cc1ccc(F)cc1 ZINC001571196424 952981178 /nfs/dbraw/zinc/98/11/78/952981178.db2.gz KJLRLGINTCBRIM-SMDDNHRTSA-N -1 1 382.403 1.440 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)Cc1ccc(F)cc1 ZINC001571196424 952981182 /nfs/dbraw/zinc/98/11/82/952981182.db2.gz KJLRLGINTCBRIM-SMDDNHRTSA-N -1 1 382.403 1.440 20 0 GDADMM Cc1cc(C(=O)N2C[C@@H](C)[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)ccc1F ZINC001571196514 952983059 /nfs/dbraw/zinc/98/30/59/952983059.db2.gz LRPLBRFKSDWXQB-BXUZGUMPSA-N -1 1 382.403 1.099 20 0 GDADMM O=C([C@H](F)Cc1ccccc1)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571196900 952984222 /nfs/dbraw/zinc/98/42/22/952984222.db2.gz PENQIQIQADIZED-ZIAGYGMSSA-N -1 1 382.403 1.250 20 0 GDADMM O=C([C@H](F)Cc1ccccc1)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571196900 952984224 /nfs/dbraw/zinc/98/42/24/952984224.db2.gz PENQIQIQADIZED-ZIAGYGMSSA-N -1 1 382.403 1.250 20 0 GDADMM Cc1ccc(F)c(C(=O)NCC2CC(Nc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571197103 952986472 /nfs/dbraw/zinc/98/64/72/952986472.db2.gz RXJLFLNKNCEMLD-UHFFFAOYSA-N -1 1 382.403 1.725 20 0 GDADMM Cc1ccc(F)c(C(=O)NCC2CC(Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571197103 952986474 /nfs/dbraw/zinc/98/64/74/952986474.db2.gz RXJLFLNKNCEMLD-UHFFFAOYSA-N -1 1 382.403 1.725 20 0 GDADMM C[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)c1ccc(CF)cc1 ZINC001571197372 952989459 /nfs/dbraw/zinc/98/94/59/952989459.db2.gz YDQFBPBCJLPZBY-BXUZGUMPSA-N -1 1 382.403 1.381 20 0 GDADMM CCc1occc1C(=O)N1CC[C@@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571198525 952990981 /nfs/dbraw/zinc/99/09/81/952990981.db2.gz BBKCMZQPCPGIBB-GFCCVEGCSA-N -1 1 382.428 1.776 20 0 GDADMM CCc1occc1C(=O)N1CC[C@@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571198525 952990988 /nfs/dbraw/zinc/99/09/88/952990988.db2.gz BBKCMZQPCPGIBB-GFCCVEGCSA-N -1 1 382.428 1.776 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H]2CNC(=O)c2ccoc2C)n1 ZINC001571198739 952992410 /nfs/dbraw/zinc/99/24/10/952992410.db2.gz FIDXDPRRVRZDLI-GFCCVEGCSA-N -1 1 382.428 1.519 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H]2CNC(=O)c2ccoc2C)n1 ZINC001571198739 952992412 /nfs/dbraw/zinc/99/24/12/952992412.db2.gz FIDXDPRRVRZDLI-GFCCVEGCSA-N -1 1 382.428 1.519 20 0 GDADMM CCN(C(=O)c1cc(C)oc1C)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571198998 952995774 /nfs/dbraw/zinc/99/57/74/952995774.db2.gz JUNDRAWMOYRZNB-CYBMUJFWSA-N -1 1 382.428 1.608 20 0 GDADMM CCN(C(=O)c1cc(C)oc1C)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571198998 952995782 /nfs/dbraw/zinc/99/57/82/952995782.db2.gz JUNDRAWMOYRZNB-CYBMUJFWSA-N -1 1 382.428 1.608 20 0 GDADMM C[C@@H]1CN(C(=O)CCc2ccoc2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571199228 952998128 /nfs/dbraw/zinc/99/81/28/952998128.db2.gz NWUPUUIZAMMBTH-TZMCWYRMSA-N -1 1 382.428 1.389 20 0 GDADMM C[C@@H]1CN(C(=O)CCc2ccoc2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571199228 952998133 /nfs/dbraw/zinc/99/81/33/952998133.db2.gz NWUPUUIZAMMBTH-TZMCWYRMSA-N -1 1 382.428 1.389 20 0 GDADMM CC(C)c1ccoc1C(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571199759 953003777 /nfs/dbraw/zinc/00/37/77/953003777.db2.gz BKMSDNDUMMGMBX-GFCCVEGCSA-N -1 1 382.428 1.724 20 0 GDADMM CC(C)c1ccoc1C(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571199759 953003782 /nfs/dbraw/zinc/00/37/82/953003782.db2.gz BKMSDNDUMMGMBX-GFCCVEGCSA-N -1 1 382.428 1.724 20 0 GDADMM C[C@H](C(=O)N1CC[C@](C)(CNc2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001571200318 953008841 /nfs/dbraw/zinc/00/88/41/953008841.db2.gz HSHIVUXPJVBUMN-KPZWWZAWSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@H](C(=O)N1CC[C@](C)(CNc2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001571200318 953008842 /nfs/dbraw/zinc/00/88/42/953008842.db2.gz HSHIVUXPJVBUMN-KPZWWZAWSA-N -1 1 382.428 1.704 20 0 GDADMM CCCc1occc1C(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571200433 953009005 /nfs/dbraw/zinc/00/90/05/953009005.db2.gz IPOKVBZCTMIMQU-GFCCVEGCSA-N -1 1 382.428 1.919 20 0 GDADMM CCCc1occc1C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571200433 953009009 /nfs/dbraw/zinc/00/90/09/953009009.db2.gz IPOKVBZCTMIMQU-GFCCVEGCSA-N -1 1 382.428 1.919 20 0 GDADMM Cc1cc(C(=O)N2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C(C)(C)C2)c(C)o1 ZINC001571200507 953009756 /nfs/dbraw/zinc/00/97/56/953009756.db2.gz CRWDKQCQFMFYPX-CQSZACIVSA-N -1 1 382.428 1.829 20 0 GDADMM Cc1cc(C(=O)N2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C(C)(C)C2)c(C)o1 ZINC001571200507 953009757 /nfs/dbraw/zinc/00/97/57/953009757.db2.gz CRWDKQCQFMFYPX-CQSZACIVSA-N -1 1 382.428 1.829 20 0 GDADMM O=C(N[C@@H]1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1F ZINC001571200512 953009875 /nfs/dbraw/zinc/00/98/75/953009875.db2.gz JFQKDIWWAJQPHE-VXGBXAGGSA-N -1 1 382.403 1.228 20 0 GDADMM Cc1coc(C(=O)N2CCCC[C@@H]2CN(C)c2ccc(-c3nnn[n-]3)nn2)c1 ZINC001571202064 953022205 /nfs/dbraw/zinc/02/22/05/953022205.db2.gz QKOVBYBRROPKFX-CYBMUJFWSA-N -1 1 382.428 1.689 20 0 GDADMM Cc1coc(C(=O)N2CCCC[C@@H]2CN(C)c2ccc(-c3nn[n-]n3)nn2)c1 ZINC001571202064 953022213 /nfs/dbraw/zinc/02/22/13/953022213.db2.gz QKOVBYBRROPKFX-CYBMUJFWSA-N -1 1 382.428 1.689 20 0 GDADMM Cc1ccc(CC(=O)N[C@@H]2CCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)o1 ZINC001571202178 953022956 /nfs/dbraw/zinc/02/29/56/953022956.db2.gz RLRCPZGOSJEXLL-TZMCWYRMSA-N -1 1 382.428 1.498 20 0 GDADMM Cc1ccc(CC(=O)N[C@@H]2CCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)o1 ZINC001571202178 953022962 /nfs/dbraw/zinc/02/29/62/953022962.db2.gz RLRCPZGOSJEXLL-TZMCWYRMSA-N -1 1 382.428 1.498 20 0 GDADMM CC(C)c1occc1C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571202450 953025888 /nfs/dbraw/zinc/02/58/88/953025888.db2.gz XHYCAEQKSKMLDZ-DGCLKSJQSA-N -1 1 382.428 1.368 20 0 GDADMM Cc1coc(C(=O)N2CCCC[C@H]2CN(C)c2cnc(-c3nnn[n-]3)cn2)c1 ZINC001571202579 953026330 /nfs/dbraw/zinc/02/63/30/953026330.db2.gz VIMKSLITYKIRTI-ZDUSSCGKSA-N -1 1 382.428 1.689 20 0 GDADMM Cc1coc(C(=O)N2CCCC[C@H]2CN(C)c2cnc(-c3nn[n-]n3)cn2)c1 ZINC001571202579 953026333 /nfs/dbraw/zinc/02/63/33/953026333.db2.gz VIMKSLITYKIRTI-ZDUSSCGKSA-N -1 1 382.428 1.689 20 0 GDADMM Cc1[nH]nc(C(=O)N[C@H]2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)CC2)c1C ZINC001571207291 953061656 /nfs/dbraw/zinc/06/16/56/953061656.db2.gz PPZBIIZGAQGTLZ-HAQNSBGRSA-N -1 1 382.432 1.150 20 0 GDADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCCN(C(=O)C2(C3CC3)CC2)C1 ZINC001571212050 953083979 /nfs/dbraw/zinc/08/39/79/953083979.db2.gz HXPSBHCWQGJJGU-QWHCGFSZSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCCN(C(=O)C2(C3CC3)CC2)C1 ZINC001571212050 953083988 /nfs/dbraw/zinc/08/39/88/953083988.db2.gz HXPSBHCWQGJJGU-QWHCGFSZSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@H](C(=O)N[C@@]12CCC[C@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2)C1CCC1 ZINC001571212066 953084394 /nfs/dbraw/zinc/08/43/94/953084394.db2.gz IEUURQVTXTZUMF-IOHHAYIISA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H](C(=O)N[C@@]12CCC[C@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2)C1CCC1 ZINC001571212066 953084399 /nfs/dbraw/zinc/08/43/99/953084399.db2.gz IEUURQVTXTZUMF-IOHHAYIISA-N -1 1 382.472 1.711 20 0 GDADMM CN(C(=O)C1(C2CCC2)CCC1)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571212208 953085079 /nfs/dbraw/zinc/08/50/79/953085079.db2.gz IZFNARYMHADJOW-AWEZNQCLSA-N -1 1 382.472 1.664 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC2(C)CCN(C(=O)C3(C4CC4)CC3)CC2)n1 ZINC001571212232 953086442 /nfs/dbraw/zinc/08/64/42/953086442.db2.gz JSXAHIMVJAZNNF-UHFFFAOYSA-N -1 1 382.472 1.948 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC2(C)CCN(C(=O)C3(C4CC4)CC3)CC2)n1 ZINC001571212232 953086445 /nfs/dbraw/zinc/08/64/45/953086445.db2.gz JSXAHIMVJAZNNF-UHFFFAOYSA-N -1 1 382.472 1.948 20 0 GDADMM CC1(C)C[C@H]1C(=O)N1CCC2(C1)CCN(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001571212554 953089021 /nfs/dbraw/zinc/08/90/21/953089021.db2.gz NDOUOHAECGETAH-ZDUSSCGKSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)C[C@H]1C(=O)N1CCC2(C1)CCN(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001571212554 953089025 /nfs/dbraw/zinc/08/90/25/953089025.db2.gz NDOUOHAECGETAH-ZDUSSCGKSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H]1C[C@H]1C(=O)N1CCC2(CC1)CCN(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001571212969 953091563 /nfs/dbraw/zinc/09/15/63/953091563.db2.gz OOERFOZQPMWSRT-ZIAGYGMSSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H]1C[C@H]1C(=O)N1CCC2(CC1)CCN(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001571212969 953091564 /nfs/dbraw/zinc/09/15/64/953091564.db2.gz OOERFOZQPMWSRT-ZIAGYGMSSA-N -1 1 382.472 1.522 20 0 GDADMM CCc1nc(NC[C@@H]2CCCN(C(=O)[C@H]3CC34CC4)C2)cc(-c2nnn[n-]2)n1 ZINC001571212898 953091671 /nfs/dbraw/zinc/09/16/71/953091671.db2.gz NYXRSGHUXKONRN-QWHCGFSZSA-N -1 1 382.472 1.670 20 0 GDADMM CCc1nc(NC[C@@H]2CCCN(C(=O)[C@H]3CC34CC4)C2)cc(-c2nn[n-]n2)n1 ZINC001571212898 953091677 /nfs/dbraw/zinc/09/16/77/953091677.db2.gz NYXRSGHUXKONRN-QWHCGFSZSA-N -1 1 382.472 1.670 20 0 GDADMM CC1(C)CN(C(=O)C23CCC(CC2)C3)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571213297 953093886 /nfs/dbraw/zinc/09/38/86/953093886.db2.gz RCCDAORFQYJRJL-MMSRSVNZSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(C)CN(C(=O)C23CCC(CC2)C3)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571213297 953093889 /nfs/dbraw/zinc/09/38/89/953093889.db2.gz RCCDAORFQYJRJL-MMSRSVNZSA-N -1 1 382.472 1.886 20 0 GDADMM CN(C[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1)c1cncc(-c2nnn[n-]2)n1 ZINC001571213308 953094590 /nfs/dbraw/zinc/09/45/90/953094590.db2.gz RCNXMYUYPXDMOM-SZOQZIPDSA-N -1 1 382.472 1.378 20 0 GDADMM CN(C[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1)c1cncc(-c2nn[n-]n2)n1 ZINC001571213308 953094594 /nfs/dbraw/zinc/09/45/94/953094594.db2.gz RCNXMYUYPXDMOM-SZOQZIPDSA-N -1 1 382.472 1.378 20 0 GDADMM CC[C@@H]1CN(C(=O)C2(C3CC3)CC2)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571213678 953096571 /nfs/dbraw/zinc/09/65/71/953096571.db2.gz TXDIXKFVRDACKZ-OCCSQVGLSA-N -1 1 382.472 1.308 20 0 GDADMM C[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571214335 953101561 /nfs/dbraw/zinc/10/15/61/953101561.db2.gz XOMDLFZLEDHLFD-DFMBRWPFSA-N -1 1 382.472 1.709 20 0 GDADMM C[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571214335 953101564 /nfs/dbraw/zinc/10/15/64/953101564.db2.gz XOMDLFZLEDHLFD-DFMBRWPFSA-N -1 1 382.472 1.709 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@H](CNC(=O)C34CCC(CC3)C4)C2)n1 ZINC001571214346 953101632 /nfs/dbraw/zinc/10/16/32/953101632.db2.gz XTDIXGXESZYVTF-DNPRYDFPSA-N -1 1 382.472 1.852 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@H](CNC(=O)C34CCC(CC3)C4)C2)n1 ZINC001571214346 953101636 /nfs/dbraw/zinc/10/16/36/953101636.db2.gz XTDIXGXESZYVTF-DNPRYDFPSA-N -1 1 382.472 1.852 20 0 GDADMM CC1(C)C2CCC1(C(=O)N[C@H]1C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C1)CC2 ZINC001571214456 953102801 /nfs/dbraw/zinc/10/28/01/953102801.db2.gz YXKPBSWDBNZOOF-ZCXICMAXSA-N -1 1 382.472 1.932 20 0 GDADMM CC1(C)C2CCC1(C(=O)N[C@H]1C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C1)CC2 ZINC001571214456 953102805 /nfs/dbraw/zinc/10/28/05/953102805.db2.gz YXKPBSWDBNZOOF-ZCXICMAXSA-N -1 1 382.472 1.932 20 0 GDADMM O=C(N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)C1CCC2(CC2)CC1 ZINC001571216917 953104248 /nfs/dbraw/zinc/10/42/48/953104248.db2.gz CFFRYSMRJOFMOQ-CQSZACIVSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)C1CCC2(CC2)CC1 ZINC001571216917 953104251 /nfs/dbraw/zinc/10/42/51/953104251.db2.gz CFFRYSMRJOFMOQ-CQSZACIVSA-N -1 1 382.472 1.712 20 0 GDADMM O=C([C@@H]1CC12CCCC2)N1CCC(CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571217650 953110260 /nfs/dbraw/zinc/11/02/60/953110260.db2.gz GUIDUIXLYMJXDC-AWEZNQCLSA-N -1 1 382.472 1.888 20 0 GDADMM O=C([C@@H]1CC12CCCC2)N1CCC(CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571217650 953110261 /nfs/dbraw/zinc/11/02/61/953110261.db2.gz GUIDUIXLYMJXDC-AWEZNQCLSA-N -1 1 382.472 1.888 20 0 GDADMM O=C(CC1CCCC1)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571218114 953112867 /nfs/dbraw/zinc/11/28/67/953112867.db2.gz MEGXTFSBYYMSOH-CVEARBPZSA-N -1 1 382.472 1.807 20 0 GDADMM O=C(CC1CCCC1)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571218114 953112869 /nfs/dbraw/zinc/11/28/69/953112869.db2.gz MEGXTFSBYYMSOH-CVEARBPZSA-N -1 1 382.472 1.807 20 0 GDADMM O=C(N[C@@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C12CCC2)c1cc(F)c[nH]1 ZINC001571218837 953120222 /nfs/dbraw/zinc/12/02/22/953120222.db2.gz FHRJEIWAOBHKNB-NWDGAFQWSA-N -1 1 383.391 1.277 20 0 GDADMM O=C(N[C@@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C12CCC2)c1cc(F)c[nH]1 ZINC001571218837 953120223 /nfs/dbraw/zinc/12/02/23/953120223.db2.gz FHRJEIWAOBHKNB-NWDGAFQWSA-N -1 1 383.391 1.277 20 0 GDADMM O=C(N[C@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cncc(F)c1 ZINC001571218966 953121399 /nfs/dbraw/zinc/12/13/99/953121399.db2.gz IBRQUUKRMLCVQA-STQMWFEESA-N -1 1 383.391 1.344 20 0 GDADMM O=C(N[C@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cncc(F)c1 ZINC001571218966 953121403 /nfs/dbraw/zinc/12/14/03/953121403.db2.gz IBRQUUKRMLCVQA-STQMWFEESA-N -1 1 383.391 1.344 20 0 GDADMM Cn1c(=O)[nH]c(NCc2ccc(OC(F)F)c(F)c2)c(-c2nn[n-]n2)c1=O ZINC001571219056 953122214 /nfs/dbraw/zinc/12/22/14/953122214.db2.gz UBVKQULRUFMPME-UHFFFAOYSA-N -1 1 383.290 1.019 20 0 GDADMM CCc1ncoc1C(=O)N1C[C@@H](C)[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571223545 953145424 /nfs/dbraw/zinc/14/54/24/953145424.db2.gz UWQWDJFAMRVIMO-MNOVXSKESA-N -1 1 383.416 1.027 20 0 GDADMM CCc1ncoc1C(=O)N1C[C@@H](C)[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571223545 953145426 /nfs/dbraw/zinc/14/54/26/953145426.db2.gz UWQWDJFAMRVIMO-MNOVXSKESA-N -1 1 383.416 1.027 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H](CNc3cncc(-c4nnn[n-]4)n3)[C@H](C)C2)on1 ZINC001571226417 953155412 /nfs/dbraw/zinc/15/54/12/953155412.db2.gz QJGWLJHMQURKQA-PWSUYJOCSA-N -1 1 383.416 1.163 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H](CNc3cncc(-c4nn[n-]n4)n3)[C@H](C)C2)on1 ZINC001571226417 953155413 /nfs/dbraw/zinc/15/54/13/953155413.db2.gz QJGWLJHMQURKQA-PWSUYJOCSA-N -1 1 383.416 1.163 20 0 GDADMM Cc1cc(C(=O)N2CCCC[C@@H]2[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)on1 ZINC001571226943 953157608 /nfs/dbraw/zinc/15/76/08/953157608.db2.gz XKDCLFMHEMZNBN-WCQYABFASA-N -1 1 383.416 1.448 20 0 GDADMM Cc1cc(C(=O)N2CCCC[C@@H]2[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)on1 ZINC001571226943 953157611 /nfs/dbraw/zinc/15/76/11/953157611.db2.gz XKDCLFMHEMZNBN-WCQYABFASA-N -1 1 383.416 1.448 20 0 GDADMM Cc1ocnc1C(=O)N1CCCC[C@@H]1CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001571228431 953164248 /nfs/dbraw/zinc/16/42/48/953164248.db2.gz PAWGPVOISWRKLO-GFCCVEGCSA-N -1 1 383.416 1.084 20 0 GDADMM Cc1ocnc1C(=O)N1CCCC[C@@H]1CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001571228431 953164249 /nfs/dbraw/zinc/16/42/49/953164249.db2.gz PAWGPVOISWRKLO-GFCCVEGCSA-N -1 1 383.416 1.084 20 0 GDADMM Cc1nsc(NCC2CC(NC(=O)[C@@H]3CCC3(F)F)C2)c1-c1nn[n-]n1 ZINC001571230103 953173822 /nfs/dbraw/zinc/17/38/22/953173822.db2.gz RUXBACIVQVFBRH-RTBKNWGFSA-N -1 1 383.428 1.984 20 0 GDADMM Cc1cc(F)cc(-c2nn[n-]n2)c1S(=O)(=O)N[C@H](CO)CC1CCCC1 ZINC001571231454 953184811 /nfs/dbraw/zinc/18/48/11/953184811.db2.gz XEVFPMDEPGYRMZ-ZDUSSCGKSA-N -1 1 383.449 1.534 20 0 GDADMM Cc1nc(C)c(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2-c2nn[nH]n2)s1 ZINC001571234128 953199338 /nfs/dbraw/zinc/19/93/38/953199338.db2.gz NWQMQTNMNBIMNT-AWEZNQCLSA-N -1 1 383.481 1.944 20 0 GDADMM CC(=O)N1CC[C@@H](C(F)(F)F)[C@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571234603 953203715 /nfs/dbraw/zinc/20/37/15/953203715.db2.gz CYMRBSCUAATLOL-GHMZBOCLSA-N -1 1 384.366 1.424 20 0 GDADMM CC(=O)N1CC[C@@H](C(F)(F)F)[C@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571234603 953203716 /nfs/dbraw/zinc/20/37/16/953203716.db2.gz CYMRBSCUAATLOL-GHMZBOCLSA-N -1 1 384.366 1.424 20 0 GDADMM O=C(C[C@@H]1CCCO1)N1CC[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571234649 953204443 /nfs/dbraw/zinc/20/44/43/953204443.db2.gz FGKAZJSNKWVECA-IUCAKERBSA-N -1 1 383.865 1.559 20 0 GDADMM COCc1ccc(C(=O)N2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C[C@@H]2C)o1 ZINC001571236382 953217599 /nfs/dbraw/zinc/21/75/99/953217599.db2.gz YENXHLWCPOOBKZ-QWRGUYRKSA-N -1 1 384.400 1.111 20 0 GDADMM COCc1ccc(C(=O)N2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C[C@@H]2C)o1 ZINC001571236382 953217601 /nfs/dbraw/zinc/21/76/01/953217601.db2.gz YENXHLWCPOOBKZ-QWRGUYRKSA-N -1 1 384.400 1.111 20 0 GDADMM COc1ncc(NC(=O)NCc2cccnc2OC(C)C)cc1-c1nn[n-]n1 ZINC001571236954 953219735 /nfs/dbraw/zinc/21/97/35/953219735.db2.gz DHHWYHCOLLTUFC-UHFFFAOYSA-N -1 1 384.400 1.774 20 0 GDADMM Cc1cc(C(=O)NC[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)sc1C ZINC001571244562 953264868 /nfs/dbraw/zinc/26/48/68/953264868.db2.gz AUKMEYKZHWFIOW-LBPRGKRZSA-N -1 1 384.469 1.591 20 0 GDADMM Cc1cc(C(=O)NC[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)sc1C ZINC001571244562 953264872 /nfs/dbraw/zinc/26/48/72/953264872.db2.gz AUKMEYKZHWFIOW-LBPRGKRZSA-N -1 1 384.469 1.591 20 0 GDADMM CN(C[C@H]1CCCCN1C(=O)c1ccsc1)c1nccnc1-c1nnn[n-]1 ZINC001571244603 953265111 /nfs/dbraw/zinc/26/51/11/953265111.db2.gz BZBJNTPVZQTFOR-CYBMUJFWSA-N -1 1 384.469 1.849 20 0 GDADMM CN(C[C@H]1CCCCN1C(=O)c1ccsc1)c1nccnc1-c1nn[n-]n1 ZINC001571244603 953265114 /nfs/dbraw/zinc/26/51/14/953265114.db2.gz BZBJNTPVZQTFOR-CYBMUJFWSA-N -1 1 384.469 1.849 20 0 GDADMM Cc1nsc(N2CCN(C(=O)Cc3ccc(C)nc3)CC2)c1-c1nn[n-]n1 ZINC001571244688 953266096 /nfs/dbraw/zinc/26/60/96/953266096.db2.gz DWQGSOUFPRGZGU-UHFFFAOYSA-N -1 1 384.469 1.226 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)[C@@H]2C)sc1C ZINC001571244766 953266969 /nfs/dbraw/zinc/26/69/69/953266969.db2.gz HSONELOPEWBIHH-PWSUYJOCSA-N -1 1 384.469 1.732 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)[C@@H]2C)sc1C ZINC001571244766 953266973 /nfs/dbraw/zinc/26/69/73/953266973.db2.gz HSONELOPEWBIHH-PWSUYJOCSA-N -1 1 384.469 1.732 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccsc2)[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571244862 953267419 /nfs/dbraw/zinc/26/74/19/953267419.db2.gz KQNCIPBYGUWKIH-YPMHNXCESA-N -1 1 384.469 1.493 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C)c1ccsc1 ZINC001571244950 953269090 /nfs/dbraw/zinc/26/90/90/953269090.db2.gz AWXNWFJZVRSWJZ-NTZNESFSSA-N -1 1 384.469 1.463 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)s1 ZINC001571245366 953273173 /nfs/dbraw/zinc/27/31/73/953273173.db2.gz SBOHDSVZCCSJPI-LBPRGKRZSA-N -1 1 384.469 1.413 20 0 GDADMM Cc1ccsc1C(=O)N1C[C@@H](C)[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571245585 953275119 /nfs/dbraw/zinc/27/51/19/953275119.db2.gz WBOZAJPJKPSTGB-NEPJUHHUSA-N -1 1 384.469 1.847 20 0 GDADMM Cc1ccsc1C(=O)N1C[C@@H](C)[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571245585 953275121 /nfs/dbraw/zinc/27/51/21/953275121.db2.gz WBOZAJPJKPSTGB-NEPJUHHUSA-N -1 1 384.469 1.847 20 0 GDADMM C[C@@H](CC1CCCCC1)C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571249136 953301790 /nfs/dbraw/zinc/30/17/90/953301790.db2.gz DQVPUKURKKGPMT-ZFWWWQNUSA-N -1 1 384.488 1.698 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)C1CCCCC1 ZINC001571249327 953303933 /nfs/dbraw/zinc/30/39/33/953303933.db2.gz HMZFDFMYORACCB-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)C1CCCCC1 ZINC001571249327 953303937 /nfs/dbraw/zinc/30/39/37/953303937.db2.gz HMZFDFMYORACCB-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CCC1(C(=O)N2CCC[C@@H](N(C)c3nc(C)cc(-c4nnn[n-]4)n3)C2)CCC1 ZINC001571250865 953313255 /nfs/dbraw/zinc/31/32/55/953313255.db2.gz UODNUZRCORGGFR-CQSZACIVSA-N -1 1 384.488 1.973 20 0 GDADMM CCC1(C(=O)N2CCC[C@@H](N(C)c3nc(C)cc(-c4nn[n-]n4)n3)C2)CCC1 ZINC001571250865 953313260 /nfs/dbraw/zinc/31/32/60/953313260.db2.gz UODNUZRCORGGFR-CQSZACIVSA-N -1 1 384.488 1.973 20 0 GDADMM C[C@H]1CC[C@H](C(=O)N2CCC[C@@H](N(C)c3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001571252146 953323808 /nfs/dbraw/zinc/32/38/08/953323808.db2.gz IGOFLEFONYWJSY-RBSFLKMASA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CC[C@H](C(=O)N2CCC[C@@H](N(C)c3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571252146 953323814 /nfs/dbraw/zinc/32/38/14/953323814.db2.gz IGOFLEFONYWJSY-RBSFLKMASA-N -1 1 384.488 1.910 20 0 GDADMM CC[C@H]1CC[C@H](C(=O)NCC2CC(Nc3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571252475 953328504 /nfs/dbraw/zinc/32/85/04/953328504.db2.gz NMGSLLAKTGGYGN-NZFPVTAUSA-N -1 1 384.488 1.602 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)C(C)(C)C2CCC2)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571252692 953331737 /nfs/dbraw/zinc/33/17/37/953331737.db2.gz UDFLQKHZQYAITD-DZGCQCFKSA-N -1 1 384.488 1.957 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)C(C)(C)C2CCC2)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571252692 953331740 /nfs/dbraw/zinc/33/17/40/953331740.db2.gz UDFLQKHZQYAITD-DZGCQCFKSA-N -1 1 384.488 1.957 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC2(C)C)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571252878 953334266 /nfs/dbraw/zinc/33/42/66/953334266.db2.gz XTSKQYLGBAWPCA-KCQAQPDRSA-N -1 1 384.488 1.957 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC2(C)C)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571252878 953334268 /nfs/dbraw/zinc/33/42/68/953334268.db2.gz XTSKQYLGBAWPCA-KCQAQPDRSA-N -1 1 384.488 1.957 20 0 GDADMM Cc1cc(Cl)cc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571254149 953336237 /nfs/dbraw/zinc/33/62/37/953336237.db2.gz AEFZTYOHNBIEEY-ZDUSSCGKSA-N -1 1 384.831 1.627 20 0 GDADMM O=C(NCC1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccc(Cl)cc1 ZINC001571255519 953349611 /nfs/dbraw/zinc/34/96/11/953349611.db2.gz MQPFQIKXBGKRDW-UHFFFAOYSA-N -1 1 384.831 1.353 20 0 GDADMM CCC(CC)(CNC(=O)NCCN1CCN(Cc2ccccc2)CC1)C(=O)[O-] ZINC000424383988 953453438 /nfs/dbraw/zinc/45/34/38/953453438.db2.gz DIAOVDAZLHKART-UHFFFAOYSA-N -1 1 390.528 1.994 20 0 GDADMM CCN(CC)S(=O)(=O)c1cc(NC(=O)CN(C)CCC(=O)[O-])ccc1C ZINC000430667048 953501006 /nfs/dbraw/zinc/50/10/06/953501006.db2.gz UVJRREUXNQANFM-UHFFFAOYSA-N -1 1 385.486 1.371 20 0 GDADMM CN(C(=O)NCC1(C(=O)[O-])CCOCC1)C1CCN(CCC(F)(F)F)CC1 ZINC001593677989 953944042 /nfs/dbraw/zinc/94/40/42/953944042.db2.gz YMVOZWNWOAGMQH-UHFFFAOYSA-N -1 1 395.422 1.926 20 0 GDADMM CN(C)[C@H](CNC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O)c1cccc(F)c1 ZINC001593691228 954032154 /nfs/dbraw/zinc/03/21/54/954032154.db2.gz KWEHTFBZTQVOHZ-JKSUJKDBSA-N -1 1 394.447 1.193 20 0 GDADMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)Cc1ccsc1Br ZINC001593699352 954097742 /nfs/dbraw/zinc/09/77/42/954097742.db2.gz XNLUQUDKMHMMBC-UHFFFAOYSA-N -1 1 385.305 1.289 20 0 GDADMM CC(C)[C@@H](CNC(=O)NCCCCN1CCN(c2ncccn2)CC1)C(=O)[O-] ZINC000655866981 954253367 /nfs/dbraw/zinc/25/33/67/954253367.db2.gz FVTWXCARUQSEFX-MRXNPFEDSA-N -1 1 392.504 1.035 20 0 GDADMM O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cc2ncccc2o1 ZINC001594888778 954493142 /nfs/dbraw/zinc/49/31/42/954493142.db2.gz IDWDDYHEVXGFKS-PRHODGIISA-N -1 1 385.298 1.564 20 0 GDADMM O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)c3ccc(CN4CCCC4)o3)CC2)C1 ZINC001594897488 954580405 /nfs/dbraw/zinc/58/04/05/954580405.db2.gz MMYCPPZOWCKFTO-CQSZACIVSA-N -1 1 389.452 1.413 20 0 GDADMM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)c1nc[nH]c(=O)c1Br ZINC001594964287 955034519 /nfs/dbraw/zinc/03/45/19/955034519.db2.gz FZHHCOHTBHDPPK-GFCCVEGCSA-N -1 1 378.182 1.769 20 0 GDADMM CC[C@H](CNC(=O)c1cn[nH]c1[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001589550625 955212831 /nfs/dbraw/zinc/21/28/31/955212831.db2.gz AGLDQDQTBGSDQQ-VXGBXAGGSA-N -1 1 380.445 1.975 20 0 GDADMM COC(=O)Cc1csc(NC(=O)CN[C@H](Cc2ccccc2)C(=O)[O-])n1 ZINC001593853897 955479167 /nfs/dbraw/zinc/47/91/67/955479167.db2.gz QAUJVCMHSNGLLN-CYBMUJFWSA-N -1 1 377.422 1.083 20 0 GDADMM C[C@H](CN(C)C(=O)NCCN1CCC(NC(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC001589023460 955491571 /nfs/dbraw/zinc/49/15/71/955491571.db2.gz JXEZVHNHLITSCE-CYBMUJFWSA-N -1 1 386.493 1.338 20 0 GDADMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)C1CC2(CC2(F)F)C1 ZINC000851703789 955825429 /nfs/dbraw/zinc/82/54/29/955825429.db2.gz YPHGKFQGVREENT-PYYZTYOOSA-N -1 1 384.301 1.545 20 0 GDADMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccc(C(F)F)nc1 ZINC000851703864 955828925 /nfs/dbraw/zinc/82/89/25/955828925.db2.gz QFJYLGANDMLEHS-SCZZXKLOSA-N -1 1 395.284 1.756 20 0 GDADMM CCOc1ccc(CN2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])nc1 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GDADMM O=C([O-])[C@@H]1[C@H]2CCCN2CCN1S(=O)(=O)c1sccc1Br ZINC000377117617 532243135 /nfs/dbraw/zinc/24/31/35/532243135.db2.gz WCOCAJIJNNULDY-ZJUUUORDSA-N -1 1 395.300 1.433 20 0 GDADMM CCc1ccccc1S(=O)(=O)[N-]c1cc(S(=O)(=O)NC)ccc1NC ZINC000274995675 532251245 /nfs/dbraw/zinc/25/12/45/532251245.db2.gz JIYFQECCAXFAGQ-UHFFFAOYSA-N -1 1 383.495 2.000 20 0 GDADMM COC(=O)[C@@]1([N-]S(=O)(=O)Cc2cccc(Br)c2)CCSC1 ZINC000287916340 532251293 /nfs/dbraw/zinc/25/12/93/532251293.db2.gz UBKRJWHDRQDXEY-CYBMUJFWSA-N -1 1 394.312 1.917 20 0 GDADMM C[C@@]1(C[C@@H]2CCCN2C(=O)c2ccc(Br)cc2[O-])NC(=O)NC1=O ZINC000287936266 532252506 /nfs/dbraw/zinc/25/25/06/532252506.db2.gz RFVJSZWNSIUQSS-QFYYESIMSA-N -1 1 396.241 1.748 20 0 GDADMM CCCC[C@H]([N-]S(=O)(=O)c1nc(C)n(C)c1Br)C(=O)OC ZINC000287725868 532236520 /nfs/dbraw/zinc/23/65/20/532236520.db2.gz GZJYQVVVVSUTMN-VIFPVBQESA-N -1 1 382.280 1.501 20 0 GDADMM O=C([O-])[C@@H](CN1CCCCC1)NS(=O)(=O)c1ccc(Cl)nc1Cl ZINC000275038271 532256006 /nfs/dbraw/zinc/25/60/06/532256006.db2.gz UZXWZCKRHWAELZ-SECBINFHSA-N -1 1 382.269 1.606 20 0 GDADMM Cc1cc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N(C)C)c2N)ccc1F ZINC000430975686 532258784 /nfs/dbraw/zinc/25/87/84/532258784.db2.gz OBTXXRHIZFMBRF-UHFFFAOYSA-N -1 1 387.458 1.767 20 0 GDADMM C[C@H]1COCCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000377982044 532278781 /nfs/dbraw/zinc/27/87/81/532278781.db2.gz HLGWZVIMZPMIBO-SNVBAGLBSA-N -1 1 381.281 1.767 20 0 GDADMM NS(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(Br)c(C2CC2)n1 ZINC000349444336 532284220 /nfs/dbraw/zinc/28/42/20/532284220.db2.gz CQAFXUAILDWJDB-UHFFFAOYSA-N -1 1 398.304 1.142 20 0 GDADMM CCc1cccnc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CC[C@@H]1C(C)C ZINC000349452697 532287534 /nfs/dbraw/zinc/28/75/34/532287534.db2.gz DFPSZJNCQFTIQR-OAHLLOKOSA-N -1 1 389.543 1.836 20 0 GDADMM Cc1cccc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@H]2C(C)C)n1 ZINC000349454350 532288001 /nfs/dbraw/zinc/28/80/01/532288001.db2.gz GNWCMKHKOQAPHI-AWEZNQCLSA-N -1 1 375.516 1.582 20 0 GDADMM COc1cc(OC)c(S(=O)(=O)[N-]CC(F)(F)Br)c(OC)c1 ZINC000288463331 532291434 /nfs/dbraw/zinc/29/14/34/532291434.db2.gz AMGVTAKFDHBWPB-UHFFFAOYSA-N -1 1 390.202 1.978 20 0 GDADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]Cc1ccc(Br)cc1 ZINC000386571247 532295699 /nfs/dbraw/zinc/29/56/99/532295699.db2.gz IWFSPJVQVHKFSB-UHFFFAOYSA-N -1 1 388.243 1.827 20 0 GDADMM CCn1cc([N-]S(=O)(=O)c2nc(C)n(C)c2Br)ccc1=O ZINC000288659122 532301391 /nfs/dbraw/zinc/30/13/91/532301391.db2.gz YOZVPOGJXBTETI-UHFFFAOYSA-N -1 1 375.248 1.473 20 0 GDADMM C[C@H]1CC[C@@]2(CCN(S(=O)(=O)CCCS(=O)(=O)[N-]CC(F)F)C2)C1 ZINC000349456437 532290210 /nfs/dbraw/zinc/29/02/10/532290210.db2.gz JBVAQZQRUGJHOC-GXTWGEPZSA-N -1 1 388.502 1.403 20 0 GDADMM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)s1 ZINC000275790862 532310282 /nfs/dbraw/zinc/31/02/82/532310282.db2.gz ODMZEGJTTVRPOD-VIFPVBQESA-N -1 1 390.512 1.136 20 0 GDADMM COC(=O)CCCONC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000288892435 532310750 /nfs/dbraw/zinc/31/07/50/532310750.db2.gz UAEGCJVJYNSARJ-UHFFFAOYSA-N -1 1 375.403 1.073 20 0 GDADMM CCO[C@H]1C[C@]([N-]S(=O)(=O)c2ncn(C)c2Cl)(C(=O)OC)C1(C)C ZINC000275838523 532312006 /nfs/dbraw/zinc/31/20/06/532312006.db2.gz BZKFHYQMUFQRNS-XPTSAGLGSA-N -1 1 379.866 1.099 20 0 GDADMM CCO[C@H]1C[C@@]([N-]S(=O)(=O)c2ncn(C)c2Cl)(C(=O)OC)C1(C)C ZINC000275838514 532312164 /nfs/dbraw/zinc/31/21/64/532312164.db2.gz BZKFHYQMUFQRNS-LKFCYVNXSA-N -1 1 379.866 1.099 20 0 GDADMM CCO[C@@H]1C[C@@]([N-]S(=O)(=O)c2cn(C)c(Cl)n2)(C(=O)OC)C1(C)C ZINC000275988603 532316908 /nfs/dbraw/zinc/31/69/08/532316908.db2.gz PUTCAIMRFVFFKH-YMTOWFKASA-N -1 1 379.866 1.099 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCCCN1CCOC1=O ZINC000737548394 598842697 /nfs/dbraw/zinc/84/26/97/598842697.db2.gz PRXSUDRBRURKMU-UHFFFAOYSA-N -1 1 386.368 1.558 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCCCN1CCOC1=O ZINC000737548394 598842699 /nfs/dbraw/zinc/84/26/99/598842699.db2.gz PRXSUDRBRURKMU-UHFFFAOYSA-N -1 1 386.368 1.558 20 0 GDADMM O=C(CCn1cncn1)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000737862338 598847309 /nfs/dbraw/zinc/84/73/09/598847309.db2.gz MOOFFYUPGPFMNV-UHFFFAOYSA-N -1 1 380.437 1.893 20 0 GDADMM CC(=O)NCCNC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000735472820 598889813 /nfs/dbraw/zinc/88/98/13/598889813.db2.gz ANDRCZQCGYIQHP-UHFFFAOYSA-N -1 1 385.453 1.531 20 0 GDADMM CCc1cnccc1NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000736701424 598892098 /nfs/dbraw/zinc/89/20/98/598892098.db2.gz CGRYBMWUGCRKFI-UHFFFAOYSA-N -1 1 391.439 1.477 20 0 GDADMM CCc1cnccc1NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000736701424 598892100 /nfs/dbraw/zinc/89/21/00/598892100.db2.gz CGRYBMWUGCRKFI-UHFFFAOYSA-N -1 1 391.439 1.477 20 0 GDADMM COC(=O)CCC(C)(C)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000736911611 598892294 /nfs/dbraw/zinc/89/22/94/598892294.db2.gz LMJZNFLMUQMXHW-UHFFFAOYSA-N -1 1 390.444 1.365 20 0 GDADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc(S(C)(=O)=O)cc1 ZINC000737301411 598929719 /nfs/dbraw/zinc/92/97/19/598929719.db2.gz MESIUJDYYHEPJV-UHFFFAOYSA-N -1 1 393.450 1.379 20 0 GDADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NCc1cccnc1N1CCOCC1 ZINC000738445679 598937477 /nfs/dbraw/zinc/93/74/77/598937477.db2.gz MLBVUHPRMQHBKM-UHFFFAOYSA-N -1 1 389.423 1.654 20 0 GDADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NCc1cccnc1N1CCOCC1 ZINC000738445679 598937479 /nfs/dbraw/zinc/93/74/79/598937479.db2.gz MLBVUHPRMQHBKM-UHFFFAOYSA-N -1 1 389.423 1.654 20 0 GDADMM CN(CCc1ccccn1)C(=O)CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736806932 598965222 /nfs/dbraw/zinc/96/52/22/598965222.db2.gz SAIQLFKJANRCMU-UHFFFAOYSA-N -1 1 389.423 1.318 20 0 GDADMM CN(CCc1ccccn1)C(=O)CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000736806932 598965223 /nfs/dbraw/zinc/96/52/23/598965223.db2.gz SAIQLFKJANRCMU-UHFFFAOYSA-N -1 1 389.423 1.318 20 0 GDADMM CCn1cnnc1C1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000736723350 598966655 /nfs/dbraw/zinc/96/66/55/598966655.db2.gz XKWHFHYKXGMFSC-UHFFFAOYSA-N -1 1 376.428 1.805 20 0 GDADMM CCn1cnnc1C1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000736723350 598966656 /nfs/dbraw/zinc/96/66/56/598966656.db2.gz XKWHFHYKXGMFSC-UHFFFAOYSA-N -1 1 376.428 1.805 20 0 GDADMM CCOCCOCc1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736625023 598992893 /nfs/dbraw/zinc/99/28/93/598992893.db2.gz HPUPBELOPOUHGO-UHFFFAOYSA-N -1 1 382.424 1.745 20 0 GDADMM CCOCCOCc1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736625023 598992895 /nfs/dbraw/zinc/99/28/95/598992895.db2.gz HPUPBELOPOUHGO-UHFFFAOYSA-N -1 1 382.424 1.745 20 0 GDADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(N2CCCC2=O)cc1 ZINC000736119396 598998666 /nfs/dbraw/zinc/99/86/66/598998666.db2.gz ORYIUJIPUVPPTR-LBPRGKRZSA-N -1 1 377.408 1.880 20 0 GDADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(N2CCCC2=O)cc1 ZINC000736119396 598998668 /nfs/dbraw/zinc/99/86/68/598998668.db2.gz ORYIUJIPUVPPTR-LBPRGKRZSA-N -1 1 377.408 1.880 20 0 GDADMM CC(C)(C)OC(=O)N1CCC(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000735628394 598999838 /nfs/dbraw/zinc/99/98/38/598999838.db2.gz SRRTUKGJSVJYGX-UHFFFAOYSA-N -1 1 387.444 1.639 20 0 GDADMM CC(C)(C)OC(=O)N1CCC(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000735628394 598999839 /nfs/dbraw/zinc/99/98/39/598999839.db2.gz SRRTUKGJSVJYGX-UHFFFAOYSA-N -1 1 387.444 1.639 20 0 GDADMM O=C(Nc1cccc(C(=O)N2CCSCC2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738178218 598999843 /nfs/dbraw/zinc/99/98/43/598999843.db2.gz HTACJNZQEVDZNE-UHFFFAOYSA-N -1 1 395.448 1.703 20 0 GDADMM O=C(Nc1cccc(C(=O)N2CCSCC2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738178218 598999845 /nfs/dbraw/zinc/99/98/45/598999845.db2.gz HTACJNZQEVDZNE-UHFFFAOYSA-N -1 1 395.448 1.703 20 0 GDADMM O=C(N[C@@H]1CCN(c2ccccc2Cl)C1=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738035501 599006554 /nfs/dbraw/zinc/00/65/54/599006554.db2.gz LVMIVPWIINDVAL-CYBMUJFWSA-N -1 1 383.799 1.450 20 0 GDADMM O=C(N[C@@H]1CCN(c2ccccc2Cl)C1=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738035501 599006556 /nfs/dbraw/zinc/00/65/56/599006556.db2.gz LVMIVPWIINDVAL-CYBMUJFWSA-N -1 1 383.799 1.450 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000738258122 599019291 /nfs/dbraw/zinc/01/92/91/599019291.db2.gz DWSNZCMTGFQXRJ-QPJJXVBHSA-N -1 1 375.436 1.733 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000738258122 599019293 /nfs/dbraw/zinc/01/92/93/599019293.db2.gz DWSNZCMTGFQXRJ-QPJJXVBHSA-N -1 1 375.436 1.733 20 0 GDADMM O=C(NCc1ccccc1CN1CCOCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738117025 599020181 /nfs/dbraw/zinc/02/01/81/599020181.db2.gz OLGRMKJQRZYRQH-UHFFFAOYSA-N -1 1 379.424 1.024 20 0 GDADMM CCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736489341 599020947 /nfs/dbraw/zinc/02/09/47/599020947.db2.gz ZPOMVRQFWKOZEP-UHFFFAOYSA-N -1 1 387.425 1.202 20 0 GDADMM CCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736489341 599020948 /nfs/dbraw/zinc/02/09/48/599020948.db2.gz ZPOMVRQFWKOZEP-UHFFFAOYSA-N -1 1 387.425 1.202 20 0 GDADMM COc1ccccc1CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000737150095 599028067 /nfs/dbraw/zinc/02/80/67/599028067.db2.gz MOIWLNSVYXURHL-UHFFFAOYSA-N -1 1 379.424 1.228 20 0 GDADMM COc1ccccc1CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000737150095 599028069 /nfs/dbraw/zinc/02/80/69/599028069.db2.gz MOIWLNSVYXURHL-UHFFFAOYSA-N -1 1 379.424 1.228 20 0 GDADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc(N2CCCC2)nc1 ZINC000737225306 599029366 /nfs/dbraw/zinc/02/93/66/599029366.db2.gz MHESVCWXTVLHPS-UHFFFAOYSA-N -1 1 385.453 1.971 20 0 GDADMM C[C@H](Oc1ccc(Oc2c3ccccc3nnc2-c2nn[n-]n2)cc1)C(N)=O ZINC000820534276 599035434 /nfs/dbraw/zinc/03/54/34/599035434.db2.gz KYARCBIYGNUSHO-JTQLQIEISA-N -1 1 377.364 1.855 20 0 GDADMM COc1cc(C)nc(N2CCN(c3snc(Cl)c3-c3nnn[n-]3)CC2)n1 ZINC000737040527 599054452 /nfs/dbraw/zinc/05/44/52/599054452.db2.gz DEYYUUNEQUMDFX-UHFFFAOYSA-N -1 1 393.864 1.410 20 0 GDADMM COc1cc(C)nc(N2CCN(c3snc(Cl)c3-c3nn[n-]n3)CC2)n1 ZINC000737040527 599054455 /nfs/dbraw/zinc/05/44/55/599054455.db2.gz DEYYUUNEQUMDFX-UHFFFAOYSA-N -1 1 393.864 1.410 20 0 GDADMM O=S(=O)(N[C@H]1CCCN(c2ccccc2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738341824 599084203 /nfs/dbraw/zinc/08/42/03/599084203.db2.gz GGOCMOJSIXZBBO-ZDUSSCGKSA-N -1 1 385.453 1.209 20 0 GDADMM O=S(=O)(N[C@H]1CCCN(c2ccccc2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738341824 599084205 /nfs/dbraw/zinc/08/42/05/599084205.db2.gz GGOCMOJSIXZBBO-ZDUSSCGKSA-N -1 1 385.453 1.209 20 0 GDADMM Cc1nsc(N2CCCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)n1 ZINC000822530655 599087584 /nfs/dbraw/zinc/08/75/84/599087584.db2.gz LCVGGFUIESWKQM-UHFFFAOYSA-N -1 1 377.865 1.792 20 0 GDADMM Cc1nsc(N2CCCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)n1 ZINC000822530655 599087585 /nfs/dbraw/zinc/08/75/85/599087585.db2.gz LCVGGFUIESWKQM-UHFFFAOYSA-N -1 1 377.865 1.792 20 0 GDADMM Cc1nn(C)c(C)c1OC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000737487748 599118135 /nfs/dbraw/zinc/11/81/35/599118135.db2.gz LSMBTYQCHUMBSJ-UHFFFAOYSA-N -1 1 395.427 1.415 20 0 GDADMM Cc1nn(C)c(C)c1OC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000737487748 599118138 /nfs/dbraw/zinc/11/81/38/599118138.db2.gz LSMBTYQCHUMBSJ-UHFFFAOYSA-N -1 1 395.427 1.415 20 0 GDADMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2ncc(-c3ccc(C)cc3)o2)c1=O ZINC000821565106 599123557 /nfs/dbraw/zinc/12/35/57/599123557.db2.gz DOMSBEPEYGGIGZ-UHFFFAOYSA-N -1 1 379.380 1.222 20 0 GDADMM CCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736602833 599132076 /nfs/dbraw/zinc/13/20/76/599132076.db2.gz OIUGYORRGGFVOQ-UHFFFAOYSA-N -1 1 396.363 1.234 20 0 GDADMM CCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736602833 599132079 /nfs/dbraw/zinc/13/20/79/599132079.db2.gz OIUGYORRGGFVOQ-UHFFFAOYSA-N -1 1 396.363 1.234 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)N[C@H]1CCOc2ccccc21 ZINC000737909383 599136704 /nfs/dbraw/zinc/13/67/04/599136704.db2.gz UHSIKKQTABVOMR-ZDUSSCGKSA-N -1 1 380.364 1.059 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)N[C@H]1CCOc2ccccc21 ZINC000737909383 599136706 /nfs/dbraw/zinc/13/67/06/599136706.db2.gz UHSIKKQTABVOMR-ZDUSSCGKSA-N -1 1 380.364 1.059 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)NCCc1ccc(Cl)cc1 ZINC000737909167 599137082 /nfs/dbraw/zinc/13/70/82/599137082.db2.gz PGLHYPTWVWPUMF-UHFFFAOYSA-N -1 1 386.799 1.431 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)NCCc1ccc(Cl)cc1 ZINC000737909167 599137084 /nfs/dbraw/zinc/13/70/84/599137084.db2.gz PGLHYPTWVWPUMF-UHFFFAOYSA-N -1 1 386.799 1.431 20 0 GDADMM COc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1OC ZINC000737104629 599141344 /nfs/dbraw/zinc/14/13/44/599141344.db2.gz XYCIDBNBVKPKEW-JTQLQIEISA-N -1 1 398.379 1.463 20 0 GDADMM COc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1OC ZINC000737104629 599141347 /nfs/dbraw/zinc/14/13/47/599141347.db2.gz XYCIDBNBVKPKEW-JTQLQIEISA-N -1 1 398.379 1.463 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)Nc1ccc(OC(F)F)cc1 ZINC000737908965 599141585 /nfs/dbraw/zinc/14/15/85/599141585.db2.gz NKTVUXKLXMZOAZ-UHFFFAOYSA-N -1 1 390.306 1.659 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)Nc1ccc(OC(F)F)cc1 ZINC000737908965 599141586 /nfs/dbraw/zinc/14/15/86/599141586.db2.gz NKTVUXKLXMZOAZ-UHFFFAOYSA-N -1 1 390.306 1.659 20 0 GDADMM CC(=O)Nc1ccc(NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000735488004 599142574 /nfs/dbraw/zinc/14/25/74/599142574.db2.gz FGGVRCFUMPZMNQ-UHFFFAOYSA-N -1 1 381.352 1.016 20 0 GDADMM CC(=O)Nc1ccc(NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000735488004 599142576 /nfs/dbraw/zinc/14/25/76/599142576.db2.gz FGGVRCFUMPZMNQ-UHFFFAOYSA-N -1 1 381.352 1.016 20 0 GDADMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2ncc(-c3ccccc3C)o2)c1=O ZINC000736720057 599160967 /nfs/dbraw/zinc/16/09/67/599160967.db2.gz YAHAEZOLCDMZBX-UHFFFAOYSA-N -1 1 379.380 1.222 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1ccc(C2CC2)nn1 ZINC000737199556 599163053 /nfs/dbraw/zinc/16/30/53/599163053.db2.gz IFQAHRFEEKTGAI-UHFFFAOYSA-N -1 1 380.412 1.823 20 0 GDADMM O=S(=O)(N[C@H]1C[C@H]1c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)nc1 ZINC000738328015 599179156 /nfs/dbraw/zinc/17/91/56/599179156.db2.gz BCJITEPANWFAEW-RNCFNFMXSA-N -1 1 378.364 1.374 20 0 GDADMM O=S(=O)(N[C@H]1C[C@H]1c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)nc1 ZINC000738328015 599179158 /nfs/dbraw/zinc/17/91/58/599179158.db2.gz BCJITEPANWFAEW-RNCFNFMXSA-N -1 1 378.364 1.374 20 0 GDADMM COc1ccc(CCN2C(=O)C[C@@H](N3CCC(C(=O)[O-])CC3)C2=O)cc1OC ZINC000739898280 596926530 /nfs/dbraw/zinc/92/65/30/596926530.db2.gz MODJDBINCLZKCM-OAHLLOKOSA-N -1 1 390.436 1.170 20 0 GDADMM O=C([O-])Cc1ccccc1NC(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000819610311 597328304 /nfs/dbraw/zinc/32/83/04/597328304.db2.gz OZQILYGCMHZYCX-SFHVURJKSA-N -1 1 383.448 1.854 20 0 GDADMM COc1cccc([C@H](CNC(=O)N2CCO[C@H](C(=O)[O-])C2)N2CCCC2)c1 ZINC000738092974 597413151 /nfs/dbraw/zinc/41/31/51/597413151.db2.gz UEEIVNMWRKNYLE-IRXDYDNUSA-N -1 1 377.441 1.327 20 0 GDADMM CN1CC[C@@H](NC(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000820620392 597421047 /nfs/dbraw/zinc/42/10/47/597421047.db2.gz LVOSERQCIJKFBA-MJGOQNOKSA-N -1 1 381.432 1.814 20 0 GDADMM C[C@@H]1CN(Cc2ccc(CNC(=O)N3CC[C@H](C(=O)[O-])C3)cc2)C[C@@H](C)O1 ZINC000818112695 597507103 /nfs/dbraw/zinc/50/71/03/597507103.db2.gz HTFZPKVFRRNLPT-RKVPGOIHSA-N -1 1 375.469 1.912 20 0 GDADMM CC(=O)NCCN(C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1)[C@@H](C)C(=O)[O-] ZINC000262172857 597686932 /nfs/dbraw/zinc/68/69/32/597686932.db2.gz DNXAVNLIMWFPQF-JTQLQIEISA-N -1 1 378.816 1.782 20 0 GDADMM O=S(=O)(NCCSCc1ccccc1F)c1ccc(-c2nnn[n-]2)nc1 ZINC000738340221 598261244 /nfs/dbraw/zinc/26/12/44/598261244.db2.gz XNVHXJBDBUGFQE-UHFFFAOYSA-N -1 1 394.457 1.613 20 0 GDADMM O=S(=O)(NCCSCc1ccccc1F)c1ccc(-c2nn[n-]n2)nc1 ZINC000738340221 598261246 /nfs/dbraw/zinc/26/12/46/598261246.db2.gz XNVHXJBDBUGFQE-UHFFFAOYSA-N -1 1 394.457 1.613 20 0 GDADMM COc1ccc(F)cc1[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737099688 598267530 /nfs/dbraw/zinc/26/75/30/598267530.db2.gz PIZANWGGLJFDOU-SECBINFHSA-N -1 1 378.389 1.449 20 0 GDADMM COc1ccc(F)cc1[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737099688 598267532 /nfs/dbraw/zinc/26/75/32/598267532.db2.gz PIZANWGGLJFDOU-SECBINFHSA-N -1 1 378.389 1.449 20 0 GDADMM CCN(CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1C ZINC000736537518 598269135 /nfs/dbraw/zinc/26/91/35/598269135.db2.gz VTEXSYUHOQXTLJ-UHFFFAOYSA-N -1 1 387.469 1.375 20 0 GDADMM CCN(CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1C ZINC000736537518 598269137 /nfs/dbraw/zinc/26/91/37/598269137.db2.gz VTEXSYUHOQXTLJ-UHFFFAOYSA-N -1 1 387.469 1.375 20 0 GDADMM Cc1ccn(Cc2cccc(C(=O)NCc3ccco3)c2)c(=O)c1-c1nn[n-]n1 ZINC000822373905 607349393 /nfs/dbraw/zinc/34/93/93/607349393.db2.gz FSPBCBRQGVGVHG-UHFFFAOYSA-N -1 1 390.403 1.908 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCc1ncc(Cl)n1C ZINC000737548933 598333985 /nfs/dbraw/zinc/33/39/85/598333985.db2.gz RHKLXIWMNMBROD-UHFFFAOYSA-N -1 1 386.803 1.876 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCc1ncc(Cl)n1C ZINC000737548933 598333987 /nfs/dbraw/zinc/33/39/87/598333987.db2.gz RHKLXIWMNMBROD-UHFFFAOYSA-N -1 1 386.803 1.876 20 0 GDADMM CCc1nn(C[C@H](O)COc2ccc(C)cc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705648 598374078 /nfs/dbraw/zinc/37/40/78/598374078.db2.gz MPDUVCZDQBLSTL-ZDUSSCGKSA-N -1 1 384.440 1.297 20 0 GDADMM CCc1nn(CC(=O)Nc2cccc(Cl)c2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705651 598377744 /nfs/dbraw/zinc/37/77/44/598377744.db2.gz MRMBVODPSOJYIJ-UHFFFAOYSA-N -1 1 387.831 1.840 20 0 GDADMM CCc1nn(CC(=O)c2[nH]c(C)c(C(C)=O)c2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705312 598377919 /nfs/dbraw/zinc/37/79/19/598377919.db2.gz FSUJKWPYLHNCIK-UHFFFAOYSA-N -1 1 397.439 1.579 20 0 GDADMM Brc1ccc([C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CCO2)cc1 ZINC000735368381 598386733 /nfs/dbraw/zinc/38/67/33/598386733.db2.gz KYXZYMBRROHEDR-CYBMUJFWSA-N -1 1 388.229 1.997 20 0 GDADMM Brc1ccc([C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CCO2)cc1 ZINC000735368381 598386735 /nfs/dbraw/zinc/38/67/35/598386735.db2.gz KYXZYMBRROHEDR-CYBMUJFWSA-N -1 1 388.229 1.997 20 0 GDADMM O=C(c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1)N1CCNC(=O)C1 ZINC000738303307 598401089 /nfs/dbraw/zinc/40/10/89/598401089.db2.gz PRHIBNYLBDSKFI-UHFFFAOYSA-N -1 1 382.355 1.370 20 0 GDADMM O=C(c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1)N1CCNC(=O)C1 ZINC000738303307 598401091 /nfs/dbraw/zinc/40/10/91/598401091.db2.gz PRHIBNYLBDSKFI-UHFFFAOYSA-N -1 1 382.355 1.370 20 0 GDADMM O=C(COC(=O)[C@H]1CC=CCC1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000737910019 598409345 /nfs/dbraw/zinc/40/93/45/598409345.db2.gz XAKVOMJVPNGUDC-ZDUSSCGKSA-N -1 1 393.407 1.890 20 0 GDADMM O=C(COC(=O)[C@H]1CC=CCC1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737910019 598409346 /nfs/dbraw/zinc/40/93/46/598409346.db2.gz XAKVOMJVPNGUDC-ZDUSSCGKSA-N -1 1 393.407 1.890 20 0 GDADMM CC[C@H](NCc1cnc2c(-c3nnn[n-]3)cnn2c1)c1nnc2n1CCCCC2 ZINC000736370929 598492904 /nfs/dbraw/zinc/49/29/04/598492904.db2.gz UFJIBVPTJLZJNR-AWEZNQCLSA-N -1 1 393.459 1.468 20 0 GDADMM CC[C@H](NCc1cnc2c(-c3nn[n-]n3)cnn2c1)c1nnc2n1CCCCC2 ZINC000736370929 598492905 /nfs/dbraw/zinc/49/29/05/598492905.db2.gz UFJIBVPTJLZJNR-AWEZNQCLSA-N -1 1 393.459 1.468 20 0 GDADMM O=C([C@@H]1CCCOC1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000737791821 598500313 /nfs/dbraw/zinc/50/03/13/598500313.db2.gz LMNMKTIZEWHMKH-GFCCVEGCSA-N -1 1 399.411 1.190 20 0 GDADMM CC(=O)NC1(C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CCCC1 ZINC000735475716 598541459 /nfs/dbraw/zinc/54/14/59/598541459.db2.gz RGTOKQPSOKUBKX-UHFFFAOYSA-N -1 1 390.400 1.007 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(Nc2ccc(NC3CCCCC3)cc2)n(C)c1=O ZINC000737595117 598551840 /nfs/dbraw/zinc/55/18/40/598551840.db2.gz GQNKQBDELVQKCU-UHFFFAOYSA-N -1 1 396.455 1.752 20 0 GDADMM COc1ccc(OC)c2c1CN(c1ccc(Cl)c(-c3nnn[n-]3)n1)C[C@H]2O ZINC000737109895 598571812 /nfs/dbraw/zinc/57/18/12/598571812.db2.gz OXDRCXPQFRQIEH-LLVKDONJSA-N -1 1 388.815 1.986 20 0 GDADMM COc1ccc(OC)c2c1CN(c1ccc(Cl)c(-c3nn[n-]n3)n1)C[C@H]2O ZINC000737109895 598571814 /nfs/dbraw/zinc/57/18/14/598571814.db2.gz OXDRCXPQFRQIEH-LLVKDONJSA-N -1 1 388.815 1.986 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCc1nc(-c2ccccn2)no1 ZINC000737488365 598608873 /nfs/dbraw/zinc/60/88/73/598608873.db2.gz TWWKPGIAWAGDBD-UHFFFAOYSA-N -1 1 388.395 1.756 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCc1nc(-c2ccccn2)no1 ZINC000737488365 598608874 /nfs/dbraw/zinc/60/88/74/598608874.db2.gz TWWKPGIAWAGDBD-UHFFFAOYSA-N -1 1 388.395 1.756 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2CCCC[C@@H]2Cc2ccccc2)n(C)c1=O ZINC000737595075 598613758 /nfs/dbraw/zinc/61/37/58/598613758.db2.gz FJTFLOWRQUFPIW-HUUCEWRRSA-N -1 1 395.467 1.478 20 0 GDADMM CCc1nn(Cc2nc3ccccc3c(=O)[nH]2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706112 598642047 /nfs/dbraw/zinc/64/20/47/598642047.db2.gz HHICGASRIJCGRI-UHFFFAOYSA-N -1 1 378.396 1.245 20 0 GDADMM CCc1nn(CC(=O)N(C)[C@H]2CCCC[C@@H]2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706391 598643793 /nfs/dbraw/zinc/64/37/93/598643793.db2.gz VURKRYLIDUPQKB-WFASDCNBSA-N -1 1 387.488 1.585 20 0 GDADMM Cc1cc(C(=O)Cn2cccc(-c3nn[n-]n3)c2=O)c(C)n1-c1nccs1 ZINC000737228056 598675646 /nfs/dbraw/zinc/67/56/46/598675646.db2.gz SPFGSVBFFQMKNI-UHFFFAOYSA-N -1 1 381.421 1.775 20 0 GDADMM CC(=O)Nc1cccc(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000735489086 598686217 /nfs/dbraw/zinc/68/62/17/598686217.db2.gz VEZNYIIJKBLJNE-UHFFFAOYSA-N -1 1 377.357 1.732 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCCCS(C)(=O)=O ZINC000737546795 598706792 /nfs/dbraw/zinc/70/67/92/598706792.db2.gz GDQSUFCWSSIHRF-UHFFFAOYSA-N -1 1 379.398 1.150 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCCCS(C)(=O)=O ZINC000737546795 598706794 /nfs/dbraw/zinc/70/67/94/598706794.db2.gz GDQSUFCWSSIHRF-UHFFFAOYSA-N -1 1 379.398 1.150 20 0 GDADMM Cc1cc(N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)nc(-c2ccncc2)n1 ZINC000737271115 598743415 /nfs/dbraw/zinc/74/34/15/598743415.db2.gz RPOWLKLBQHBFQC-UHFFFAOYSA-N -1 1 391.443 1.401 20 0 GDADMM CCc1noc([C@@H](C)N2CCN(c3snc(Cl)c3-c3nnn[n-]3)CC2)n1 ZINC000736712419 598749037 /nfs/dbraw/zinc/74/90/37/598749037.db2.gz HBNPZXWIGZCIQA-MRVPVSSYSA-N -1 1 395.880 1.805 20 0 GDADMM CCc1noc([C@@H](C)N2CCN(c3snc(Cl)c3-c3nn[n-]n3)CC2)n1 ZINC000736712419 598749039 /nfs/dbraw/zinc/74/90/39/598749039.db2.gz HBNPZXWIGZCIQA-MRVPVSSYSA-N -1 1 395.880 1.805 20 0 GDADMM CCc1noc([C@@H](C)N2CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)n1 ZINC000736712042 598749342 /nfs/dbraw/zinc/74/93/42/598749342.db2.gz ACJVLXLZODTPMF-SNVBAGLBSA-N -1 1 389.851 1.744 20 0 GDADMM CCc1noc([C@@H](C)N2CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)n1 ZINC000736712042 598749343 /nfs/dbraw/zinc/74/93/43/598749343.db2.gz ACJVLXLZODTPMF-SNVBAGLBSA-N -1 1 389.851 1.744 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCCc2ccc(F)cc2F)cc1-c1nn[n-]n1 ZINC000737187822 598759305 /nfs/dbraw/zinc/75/93/05/598759305.db2.gz WBBQGUXRMNILCR-UHFFFAOYSA-N -1 1 392.391 1.940 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCCCc2nccs2)cc1-c1nn[n-]n1 ZINC000737185666 598777859 /nfs/dbraw/zinc/77/78/59/598777859.db2.gz AVSMWPPUCUOBBE-UHFFFAOYSA-N -1 1 377.455 1.508 20 0 GDADMM COC(=O)[C@@H](C)CN(C)C(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000736887347 598812246 /nfs/dbraw/zinc/81/22/46/598812246.db2.gz FKBJRZTUAMKBNG-VIFPVBQESA-N -1 1 390.469 1.742 20 0 GDADMM C[C@H]1C[C@H]1c1ccc(CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C2CC2)o1 ZINC000736237840 598814028 /nfs/dbraw/zinc/81/40/28/598814028.db2.gz QFEMTIRFLZALPQ-GXFFZTMASA-N -1 1 397.439 1.150 20 0 GDADMM O=C1NCCCN1c1cccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000823548101 599307331 /nfs/dbraw/zinc/30/73/31/599307331.db2.gz SVWNIOZNAQIWGH-UHFFFAOYSA-N -1 1 399.436 1.587 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCCCc2ccc(O)cc2)cc1-c1nn[n-]n1 ZINC000737186064 599335166 /nfs/dbraw/zinc/33/51/66/599335166.db2.gz FQFNIXXNRPKDQW-UHFFFAOYSA-N -1 1 386.437 1.757 20 0 GDADMM COc1ccccc1[C@@]1(C)C[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821882817 599349909 /nfs/dbraw/zinc/34/99/09/599349909.db2.gz LMIMZBUHKCWPOZ-DOTOQJQBSA-N -1 1 386.437 1.279 20 0 GDADMM COc1ccccc1[C@@]1(C)C[C@@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821882817 599349912 /nfs/dbraw/zinc/34/99/12/599349912.db2.gz LMIMZBUHKCWPOZ-DOTOQJQBSA-N -1 1 386.437 1.279 20 0 GDADMM CC(=O)N(C)c1ccc(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000819789748 599366722 /nfs/dbraw/zinc/36/67/22/599366722.db2.gz WXRZZEYXCJTVGM-UHFFFAOYSA-N -1 1 391.384 1.756 20 0 GDADMM COc1ccccc1C[C@H](C)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821889728 599367189 /nfs/dbraw/zinc/36/71/89/599367189.db2.gz FGMBGAJXXDTFGY-LBPRGKRZSA-N -1 1 388.453 1.522 20 0 GDADMM COc1ccccc1C[C@H](C)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821889728 599367191 /nfs/dbraw/zinc/36/71/91/599367191.db2.gz FGMBGAJXXDTFGY-LBPRGKRZSA-N -1 1 388.453 1.522 20 0 GDADMM CN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c2ccc(F)cc21 ZINC000821629120 599376567 /nfs/dbraw/zinc/37/65/67/599376567.db2.gz ZGPAWJHTLPDSTB-UHFFFAOYSA-N -1 1 375.389 1.046 20 0 GDADMM CN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c2ccc(F)cc21 ZINC000821629120 599376570 /nfs/dbraw/zinc/37/65/70/599376570.db2.gz ZGPAWJHTLPDSTB-UHFFFAOYSA-N -1 1 375.389 1.046 20 0 GDADMM O=C1[C@@H](N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)CCN1c1ccccc1 ZINC000738292097 599437228 /nfs/dbraw/zinc/43/72/28/599437228.db2.gz WDKDAIPTUDKIMB-KRWDZBQOSA-N -1 1 390.451 1.189 20 0 GDADMM CCO[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C12CCC2 ZINC000821360446 599446013 /nfs/dbraw/zinc/44/60/13/599446013.db2.gz RGYMWECQNHAZNF-RYUDHWBXSA-N -1 1 390.469 1.767 20 0 GDADMM C[C@H](Oc1ccccc1F)C(=O)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000736189777 599472184 /nfs/dbraw/zinc/47/21/84/599472184.db2.gz QYOOGFAXLVPCKW-ZDUSSCGKSA-N -1 1 397.414 1.517 20 0 GDADMM C[C@H](Oc1ccccc1F)C(=O)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000736189777 599472185 /nfs/dbraw/zinc/47/21/85/599472185.db2.gz QYOOGFAXLVPCKW-ZDUSSCGKSA-N -1 1 397.414 1.517 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2CCC[C@@H]2Cc2ccccc2)n(C)c1=O ZINC000737595080 599527455 /nfs/dbraw/zinc/52/74/55/599527455.db2.gz FJWBSJSYMLRXHI-ZIAGYGMSSA-N -1 1 381.440 1.087 20 0 GDADMM CN(C(=O)c1ccc(-c2nnn[n-]2)nc1)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000736749225 599545166 /nfs/dbraw/zinc/54/51/66/599545166.db2.gz OCQOCNYQVZUMBI-QGZVFWFLSA-N -1 1 392.398 1.996 20 0 GDADMM CN(C(=O)c1ccc(-c2nn[n-]n2)nc1)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000736749225 599545168 /nfs/dbraw/zinc/54/51/68/599545168.db2.gz OCQOCNYQVZUMBI-QGZVFWFLSA-N -1 1 392.398 1.996 20 0 GDADMM CN1CC[C@H](NC(=O)c2ccc(Oc3cccc(F)c3-c3nnn[n-]3)cc2)C1=O ZINC000736853850 599559179 /nfs/dbraw/zinc/55/91/79/599559179.db2.gz ACZMSRUWEZJNKP-AWEZNQCLSA-N -1 1 396.382 1.759 20 0 GDADMM CN1CC[C@H](NC(=O)c2ccc(Oc3cccc(F)c3-c3nn[n-]n3)cc2)C1=O ZINC000736853850 599559182 /nfs/dbraw/zinc/55/91/82/599559182.db2.gz ACZMSRUWEZJNKP-AWEZNQCLSA-N -1 1 396.382 1.759 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OCC(=O)C1CCCC1 ZINC000822458589 599654954 /nfs/dbraw/zinc/65/49/54/599654954.db2.gz FEEXESPGLMHEHL-UHFFFAOYSA-N -1 1 397.439 1.761 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OCC(=O)C1CCCC1 ZINC000822458589 599654955 /nfs/dbraw/zinc/65/49/55/599654955.db2.gz FEEXESPGLMHEHL-UHFFFAOYSA-N -1 1 397.439 1.761 20 0 GDADMM Cc1oc(NC(=O)COC(=O)c2cc(C3CC3)n(C)n2)c(-c2nn[n-]n2)c1C ZINC000822549375 599665763 /nfs/dbraw/zinc/66/57/63/599665763.db2.gz XYAASYCRYFBZNR-UHFFFAOYSA-N -1 1 385.384 1.483 20 0 GDADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000427983216 599707272 /nfs/dbraw/zinc/70/72/72/599707272.db2.gz KUVJKDXUVPJSRX-UHFFFAOYSA-N -1 1 379.376 1.505 20 0 GDADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)c1cccc(I)c1 ZINC000020480560 599775742 /nfs/dbraw/zinc/77/57/42/599775742.db2.gz JMTUQVQWORNSAS-NSHDSACASA-N -1 1 385.161 1.440 20 0 GDADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000738149478 599806605 /nfs/dbraw/zinc/80/66/05/599806605.db2.gz PFVBUKVYEDELKL-OAHLLOKOSA-N -1 1 393.403 1.822 20 0 GDADMM COC(=O)[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])s1)c1cc(F)ccc1F ZINC000737579717 599813306 /nfs/dbraw/zinc/81/33/06/599813306.db2.gz RRAONFWJAMNMSS-GFCCVEGCSA-N -1 1 391.373 1.917 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc(C(=O)OC)cc2)c(C(=O)[O-])s1 ZINC000737700661 599814412 /nfs/dbraw/zinc/81/44/12/599814412.db2.gz UYSQXUXDWXOEHE-UHFFFAOYSA-N -1 1 399.402 1.820 20 0 GDADMM O=C([O-])c1ccc(CCNC(=O)CCNC(=O)c2n[nH]c3ccccc32)cc1 ZINC000739248169 599816383 /nfs/dbraw/zinc/81/63/83/599816383.db2.gz BEQORBCBZHGPMV-UHFFFAOYSA-N -1 1 380.404 1.740 20 0 GDADMM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)Nc2cccnc2N(C)C)c1 ZINC000737680763 599883144 /nfs/dbraw/zinc/88/31/44/599883144.db2.gz HTGOURGVIIVXSZ-UHFFFAOYSA-N -1 1 379.394 1.433 20 0 GDADMM C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820659506 607405081 /nfs/dbraw/zinc/40/50/81/607405081.db2.gz YNIURYISZLWUTJ-WCQYABFASA-N -1 1 387.444 1.780 20 0 GDADMM C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820659506 607405083 /nfs/dbraw/zinc/40/50/83/607405083.db2.gz YNIURYISZLWUTJ-WCQYABFASA-N -1 1 387.444 1.780 20 0 GDADMM O=C([O-])c1ccc(OCCNC(=O)N2CCC(CN3CCOCC3)CC2)cc1 ZINC000740165318 599962110 /nfs/dbraw/zinc/96/21/10/599962110.db2.gz MQLICPSXXBPXKN-UHFFFAOYSA-N -1 1 391.468 1.517 20 0 GDADMM Cc1cccc(CN(CCN(C)C)S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000738308175 599985994 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382.376 1.874 20 0 GDADMM COc1ccc(-c2nc(CNC(=O)c3cccc(OCC(=O)[O-])c3)n[nH]2)cc1 ZINC000538471816 600077105 /nfs/dbraw/zinc/07/71/05/600077105.db2.gz FSBGJSYHNRYUIY-UHFFFAOYSA-N -1 1 382.376 1.874 20 0 GDADMM CCC[C@](C)(NCC(=O)NN1C(=O)N[C@](CC)(c2ccccc2)C1=O)C(=O)[O-] ZINC000736964744 600151783 /nfs/dbraw/zinc/15/17/83/600151783.db2.gz OKEQTKBAHRUQDO-RBUKOAKNSA-N -1 1 390.440 1.108 20 0 GDADMM CCC[C@](C)(NCC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1)C(=O)[O-] ZINC000736959155 600152525 /nfs/dbraw/zinc/15/25/25/600152525.db2.gz DHECDJQENKTZQH-YJBOKZPZSA-N -1 1 388.530 1.568 20 0 GDADMM O=C([O-])CNC(=O)c1ccc(NC(=O)NCc2n[nH]c(-c3ccccc3)n2)cc1 ZINC000739814366 600175455 /nfs/dbraw/zinc/17/54/55/600175455.db2.gz XGINLBHLMKRVFU-UHFFFAOYSA-N -1 1 394.391 1.608 20 0 GDADMM O=C([O-])CNC(=O)c1ccc(NC(=O)NCc2nc(-c3ccccc3)n[nH]2)cc1 ZINC000739814366 600175456 /nfs/dbraw/zinc/17/54/56/600175456.db2.gz XGINLBHLMKRVFU-UHFFFAOYSA-N -1 1 394.391 1.608 20 0 GDADMM 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CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)c2ccc(-n3[n-]c(CC(=O)[O-])cc3=O)cc2)C1 ZINC000828423969 601726634 /nfs/dbraw/zinc/72/66/34/601726634.db2.gz NETOYNUGYKWCRO-SUMWQHHRSA-N -1 1 386.452 1.251 20 0 GDADMM O=C([O-])[C@]1(NC(=O)CSc2nncs2)CCCN(Cc2ccccc2)C1 ZINC000833115541 601740886 /nfs/dbraw/zinc/74/08/86/601740886.db2.gz ADWPSXMERZWJDA-KRWDZBQOSA-N -1 1 392.506 1.866 20 0 GDADMM CS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)cn1 ZINC000832720060 601835995 /nfs/dbraw/zinc/83/59/95/601835995.db2.gz JEIROXXJDDEJGP-UHFFFAOYSA-N -1 1 392.361 1.262 20 0 GDADMM Cc1cccc(-c2nnc(S(=O)(=O)Cc3ccnc(-c4nnn[n-]4)c3)n2C)c1 ZINC000826295591 607530735 /nfs/dbraw/zinc/53/07/35/607530735.db2.gz OJBXHXAFOHNEGP-UHFFFAOYSA-N -1 1 396.436 1.340 20 0 GDADMM Cc1cccc(-c2nnc(S(=O)(=O)Cc3ccnc(-c4nn[n-]n4)c3)n2C)c1 ZINC000826295591 607530737 /nfs/dbraw/zinc/53/07/37/607530737.db2.gz OJBXHXAFOHNEGP-UHFFFAOYSA-N -1 1 396.436 1.340 20 0 GDADMM O=C([O-])NC[C@H]1CCN(C(=O)CCn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000740627297 601880358 /nfs/dbraw/zinc/88/03/58/601880358.db2.gz BJTKAWGYOIGAMO-LLVKDONJSA-N -1 1 376.438 1.191 20 0 GDADMM C[C@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCSC[C@@H]1CC(=O)[O-] ZINC000825989172 601926311 /nfs/dbraw/zinc/92/63/11/601926311.db2.gz CAWAXMCWJRFHCE-WBVHZDCISA-N -1 1 377.510 1.616 20 0 GDADMM C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000828430477 601976417 /nfs/dbraw/zinc/97/64/17/601976417.db2.gz CECHUXJJFFQLLE-GUYCJALGSA-N -1 1 389.452 1.468 20 0 GDADMM C[C@H](c1nc(-c2ccccc2)no1)S(=O)(=O)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000824777579 607536743 /nfs/dbraw/zinc/53/67/43/607536743.db2.gz KAPDFCAMZBEUQS-LLVKDONJSA-N -1 1 397.420 1.988 20 0 GDADMM C[C@H](c1nc(-c2ccccc2)no1)S(=O)(=O)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000824777579 607536746 /nfs/dbraw/zinc/53/67/46/607536746.db2.gz KAPDFCAMZBEUQS-LLVKDONJSA-N -1 1 397.420 1.988 20 0 GDADMM CC(C)[C@@H](CNC(=O)N1CCC[C@@H](CN(C)C(=O)[O-])C1)N1CCN(C)CC1 ZINC000738785551 602077553 /nfs/dbraw/zinc/07/75/53/602077553.db2.gz NKIDLTZOQJHIOT-DLBZAZTESA-N -1 1 383.537 1.290 20 0 GDADMM Cc1ccc([C@H](CNC(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)N(C)C)cc1 ZINC000738261745 602124523 /nfs/dbraw/zinc/12/45/23/602124523.db2.gz QWYHFPKGEFBELA-SFHVURJKSA-N -1 1 383.448 1.980 20 0 GDADMM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)NCc1ccc(N2CCN(CC)CC2)nc1 ZINC000739241381 602127078 /nfs/dbraw/zinc/12/70/78/602127078.db2.gz SKWZBWGDMCDRLL-WMLDXEAASA-N -1 1 377.489 1.522 20 0 GDADMM Brc1ccc(Cc2nnnn2Cc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000823826030 607546645 /nfs/dbraw/zinc/54/66/45/607546645.db2.gz AKBGOCXXWLZQIO-UHFFFAOYSA-N -1 1 398.228 1.650 20 0 GDADMM Brc1ccc(Cc2nnnn2Cc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000823826030 607546647 /nfs/dbraw/zinc/54/66/47/607546647.db2.gz AKBGOCXXWLZQIO-UHFFFAOYSA-N -1 1 398.228 1.650 20 0 GDADMM COc1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000481592398 602202948 /nfs/dbraw/zinc/20/29/48/602202948.db2.gz ANPRQMJJMNMFAF-UHFFFAOYSA-N -1 1 397.405 1.977 20 0 GDADMM O=C(NC1CCOCC1)c1ccc(NCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000826431952 607552740 /nfs/dbraw/zinc/55/27/40/607552740.db2.gz OJZXBCMVMKHOGR-UHFFFAOYSA-N -1 1 379.424 1.783 20 0 GDADMM O=C(NC1CCOCC1)c1ccc(NCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000826431952 607552741 /nfs/dbraw/zinc/55/27/41/607552741.db2.gz OJZXBCMVMKHOGR-UHFFFAOYSA-N -1 1 379.424 1.783 20 0 GDADMM CC[C@@H](CN1CCCC1)NC(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1 ZINC000828878710 602220577 /nfs/dbraw/zinc/22/05/77/602220577.db2.gz DETKDMCQJBCXIW-ZDUSSCGKSA-N -1 1 383.470 1.784 20 0 GDADMM C[C@]1(c2cc(F)cc(F)c2)NC(=O)N(Cc2ccnc(-c3nnn[n-]3)c2)C1=O ZINC000824844257 607553223 /nfs/dbraw/zinc/55/32/23/607553223.db2.gz UCLHXWSBIFHSTP-QGZVFWFLSA-N -1 1 385.334 1.507 20 0 GDADMM C[C@]1(c2cc(F)cc(F)c2)NC(=O)N(Cc2ccnc(-c3nn[n-]n3)c2)C1=O ZINC000824844257 607553225 /nfs/dbraw/zinc/55/32/25/607553225.db2.gz UCLHXWSBIFHSTP-QGZVFWFLSA-N -1 1 385.334 1.507 20 0 GDADMM CN1CCN(C[C@H](NC(=O)N2CC[C@@H](CNC(=O)[O-])C2)c2ccccc2)CC1 ZINC000739736485 602227121 /nfs/dbraw/zinc/22/71/21/602227121.db2.gz DLUOGALXQWGEHZ-WMZOPIPTSA-N -1 1 389.500 1.274 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000738622150 602381978 /nfs/dbraw/zinc/38/19/78/602381978.db2.gz CIMDRJOBKLNQQZ-GOEBONIOSA-N -1 1 391.468 1.653 20 0 GDADMM C[C@@H](NC(=O)NCCCNC(=O)[O-])c1cc(F)ccc1N1CCN(C)CC1 ZINC000738972756 602420087 /nfs/dbraw/zinc/42/00/87/602420087.db2.gz JXMVIBOOQQEWDC-CYBMUJFWSA-N -1 1 381.452 1.595 20 0 GDADMM COC(=O)c1ccc(S(=O)(=O)Nc2cccc(OCCNC(=O)[O-])c2)cc1 ZINC000739792966 602447912 /nfs/dbraw/zinc/44/79/12/602447912.db2.gz QMJGWTYIMPOYGP-UHFFFAOYSA-N -1 1 394.405 1.920 20 0 GDADMM O=C([O-])Nc1ccc(NC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)cc1 ZINC000740709454 602502936 /nfs/dbraw/zinc/50/29/36/602502936.db2.gz FDKRHBBAQKPHMQ-UHFFFAOYSA-N -1 1 380.360 1.987 20 0 GDADMM O=C([O-])N1CCC[C@H]1CNC(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000740368426 602576753 /nfs/dbraw/zinc/57/67/53/602576753.db2.gz VBXQCLQPXGLBNR-NSHDSACASA-N -1 1 376.438 1.334 20 0 GDADMM CCCN(CC(=O)NC1CCN(C(=O)OCC)CC1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739354061 602578442 /nfs/dbraw/zinc/57/84/42/602578442.db2.gz OIQRFWKMBJHOIS-OAHLLOKOSA-N -1 1 384.477 1.188 20 0 GDADMM CCOc1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)c(C=O)c1 ZINC000825642887 607576490 /nfs/dbraw/zinc/57/64/90/607576490.db2.gz DAKLNWVBNOXNFK-UHFFFAOYSA-N -1 1 392.368 1.985 20 0 GDADMM CCOc1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c(C=O)c1 ZINC000825642887 607576491 /nfs/dbraw/zinc/57/64/91/607576491.db2.gz DAKLNWVBNOXNFK-UHFFFAOYSA-N -1 1 392.368 1.985 20 0 GDADMM O=C([O-])NC[C@H](NC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1)C1CCCCC1 ZINC000740614930 602639935 /nfs/dbraw/zinc/63/99/35/602639935.db2.gz VHBNFSAYZWUQQJ-GVDBMIGSSA-N -1 1 382.505 1.444 20 0 GDADMM CCN(CCCNCc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl)C(=O)[O-] ZINC000739422625 602649724 /nfs/dbraw/zinc/64/97/24/602649724.db2.gz YCSNAJZBKSCVDF-GFCCVEGCSA-N -1 1 392.909 1.684 20 0 GDADMM CN(CCNC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1)C(=O)[O-] ZINC000739691913 602665416 /nfs/dbraw/zinc/66/54/16/602665416.db2.gz HYWMUIMVOZPLLH-UHFFFAOYSA-N -1 1 397.233 1.643 20 0 GDADMM CN(CCNC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1)C(=O)[O-] ZINC000739691913 602665418 /nfs/dbraw/zinc/66/54/18/602665418.db2.gz HYWMUIMVOZPLLH-UHFFFAOYSA-N -1 1 397.233 1.643 20 0 GDADMM O=S(=O)(NC[C@@H]1COc2ccccc2C1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826490625 607580782 /nfs/dbraw/zinc/58/07/82/607580782.db2.gz BNESDHRQKMCFTP-LLVKDONJSA-N -1 1 389.412 1.535 20 0 GDADMM O=S(=O)(NC[C@@H]1COc2ccccc2C1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826490625 607580784 /nfs/dbraw/zinc/58/07/84/607580784.db2.gz BNESDHRQKMCFTP-LLVKDONJSA-N -1 1 389.412 1.535 20 0 GDADMM O=C([O-])N1CCC[C@@H](CN2CCCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000740512059 602703717 /nfs/dbraw/zinc/70/37/17/602703717.db2.gz NAIKXSDWERCDCR-INIZCTEOSA-N -1 1 381.498 1.773 20 0 GDADMM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)NCCN1CCN(Cc2ccccc2)CC1 ZINC000739154166 602746842 /nfs/dbraw/zinc/74/68/42/602746842.db2.gz PAIUDFXKOKZOJZ-QGZVFWFLSA-N -1 1 389.500 1.198 20 0 GDADMM C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739173164 602761179 /nfs/dbraw/zinc/76/11/79/602761179.db2.gz FYMHJEVHLQODCA-RKVPGOIHSA-N -1 1 392.475 1.841 20 0 GDADMM C[C@H]1CN(CC(=O)N2CCN(Cc3ccsc3)CC2)CC[C@@H]1NC(=O)[O-] ZINC000739176652 602772421 /nfs/dbraw/zinc/77/24/21/602772421.db2.gz UNOAUEISAHTECF-HOCLYGCPSA-N -1 1 380.514 1.370 20 0 GDADMM CN(C)c1ncccc1CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825887427 607586798 /nfs/dbraw/zinc/58/67/98/607586798.db2.gz GPCSXMQHROITCD-UHFFFAOYSA-N -1 1 393.860 1.460 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc3c(c2)[nH]c(=S)n(C)c3=O)C[C@H](C)N1C(=O)[O-] ZINC000739167174 602803719 /nfs/dbraw/zinc/80/37/19/602803719.db2.gz LSZRKMNKTYEHLG-AOOOYVTPSA-N -1 1 376.438 1.435 20 0 GDADMM O=C([O-])N1CCOC[C@H]1C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000740404493 602828382 /nfs/dbraw/zinc/82/83/82/602828382.db2.gz AULQWSPLRVZTKQ-HOTGVXAUSA-N -1 1 381.860 1.972 20 0 GDADMM COc1ccc(-c2n[nH]c(CNC(=O)NC[C@@H](NC(=O)[O-])C(C)C)n2)cc1 ZINC000739880106 602847635 /nfs/dbraw/zinc/84/76/35/602847635.db2.gz SGUSPIYGPUDLER-CYBMUJFWSA-N -1 1 376.417 1.572 20 0 GDADMM COc1ccc(-c2nc(CNC(=O)NC[C@@H](NC(=O)[O-])C(C)C)n[nH]2)cc1 ZINC000739880106 602847638 /nfs/dbraw/zinc/84/76/38/602847638.db2.gz SGUSPIYGPUDLER-CYBMUJFWSA-N -1 1 376.417 1.572 20 0 GDADMM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N1CCO[C@@H](c2nn[nH]n2)C1 ZINC000829173742 602887418 /nfs/dbraw/zinc/88/74/18/602887418.db2.gz LSQHYOYDLAVFPQ-LLVKDONJSA-N -1 1 382.764 1.165 20 0 GDADMM O=C(NC1CC1)c1cccc(OS(=O)(=O)c2ccccc2-c2nn[n-]n2)c1 ZINC000826428661 607592970 /nfs/dbraw/zinc/59/29/70/607592970.db2.gz HVVCPQCHAGGFSC-UHFFFAOYSA-N -1 1 385.405 1.527 20 0 GDADMM COc1cc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)ccc1C ZINC000826179514 607596162 /nfs/dbraw/zinc/59/61/62/607596162.db2.gz RIFRETRLTWJWPZ-UHFFFAOYSA-N -1 1 377.401 1.801 20 0 GDADMM CC[C@H]1CN(C(=O)[C@H]2Cc3ccccc3CN2C(=O)[O-])CCN1C[C@@H](C)O ZINC000826683757 603058990 /nfs/dbraw/zinc/05/89/90/603058990.db2.gz XVHUTNJEBVYGGS-FHLIZLRMSA-N -1 1 375.469 1.395 20 0 GDADMM CC(C)(C)c1nc([C@@H]2CN(C(=O)c3ccc(CNC(=O)[O-])o3)CCO2)n[nH]1 ZINC000823863780 603077310 /nfs/dbraw/zinc/07/73/10/603077310.db2.gz DEKKTOITQWHNAZ-LBPRGKRZSA-N -1 1 377.401 1.677 20 0 GDADMM CC(C)(C)c1nnc([C@@H]2CN(C(=O)c3ccc(CNC(=O)[O-])o3)CCO2)[nH]1 ZINC000823863780 603077315 /nfs/dbraw/zinc/07/73/15/603077315.db2.gz DEKKTOITQWHNAZ-LBPRGKRZSA-N -1 1 377.401 1.677 20 0 GDADMM CN1CCN(C[C@@H](NC(=O)N[C@H](CNC(=O)[O-])C2CC2)c2ccccc2)CC1 ZINC000739737798 603095952 /nfs/dbraw/zinc/09/59/52/603095952.db2.gz SGKSKDHBGSCDQJ-QZTJIDSGSA-N -1 1 389.500 1.321 20 0 GDADMM COc1cccc([C@H](CNC(=O)[C@@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])N(C)C)c1 ZINC000739946906 603107699 /nfs/dbraw/zinc/10/76/99/603107699.db2.gz YMKBQVGODOZDPG-RCBQFDQVSA-N -1 1 379.457 1.918 20 0 GDADMM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)Nc1cccc(CN2CCN(C)CC2)c1 ZINC000739199522 603122315 /nfs/dbraw/zinc/12/23/15/603122315.db2.gz HYUWHIBDCAVCDL-PBHICJAKSA-N -1 1 390.484 1.876 20 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COC(=O)c1cc(NC(=O)CN2CC[C@H](C3CCOCC3)C2)cc(C(=O)[O-])c1 ZINC000833715398 604522178 /nfs/dbraw/zinc/52/21/78/604522178.db2.gz UPPLXNJBINIYFK-AWEZNQCLSA-N -1 1 390.436 1.858 20 0 GDADMM COc1ccccc1[C@@H](CNC(=O)NC1CN(C(=O)[O-])C1)N1CCCCC1 ZINC000832597384 604576158 /nfs/dbraw/zinc/57/61/58/604576158.db2.gz WJPYFVHWYIQAMT-MRXNPFEDSA-N -1 1 376.457 1.884 20 0 GDADMM C[C@@H](Oc1ccc(CN2CCCC[C@H]2C(=O)N2CCOCC2)cc1)C(=O)[O-] ZINC000833542832 604631166 /nfs/dbraw/zinc/63/11/66/604631166.db2.gz SXHUETGQEUPSOT-QAPCUYQASA-N -1 1 376.453 1.752 20 0 GDADMM CCOc1ccc([C@@H]2CCCN2C(=O)CN2CCC(O)(C(=O)[O-])CC2)cc1 ZINC000833664384 604727412 /nfs/dbraw/zinc/72/74/12/604727412.db2.gz VEISPMYNZYWRLX-KRWDZBQOSA-N -1 1 376.453 1.660 20 0 GDADMM C[C@H](C[N@@H+](CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)C1CC1)C(=O)[O-] ZINC000827448656 604745269 /nfs/dbraw/zinc/74/52/69/604745269.db2.gz AJSDLLWABGWZLB-SNVBAGLBSA-N -1 1 379.482 1.849 20 0 GDADMM C[C@H](CN(CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)C1CC1)C(=O)[O-] ZINC000827448656 604745271 /nfs/dbraw/zinc/74/52/71/604745271.db2.gz AJSDLLWABGWZLB-SNVBAGLBSA-N -1 1 379.482 1.849 20 0 GDADMM CC1(C)C[C@H]1C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000824796874 607713891 /nfs/dbraw/zinc/71/38/91/607713891.db2.gz TWXBXJVGGZODMK-ZDUSSCGKSA-N -1 1 381.396 1.580 20 0 GDADMM CC1(C)C[C@H]1C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000824796874 607713892 /nfs/dbraw/zinc/71/38/92/607713892.db2.gz TWXBXJVGGZODMK-ZDUSSCGKSA-N -1 1 381.396 1.580 20 0 GDADMM CC(=O)N[C@@H]1CCCN(C(=O)CN(CCCC(=O)[O-])Cc2ccccc2)C1 ZINC000825871459 604783269 /nfs/dbraw/zinc/78/32/69/604783269.db2.gz QAJCRKMUZNGFPA-GOSISDBHSA-N -1 1 375.469 1.481 20 0 GDADMM CNC(=O)c1ccc(Cn2cc(-c3nn[n-]n3)c(=O)c3nc(C)ccc32)cc1 ZINC000826068674 607716180 /nfs/dbraw/zinc/71/61/80/607716180.db2.gz VVZCYUQWUJGSQL-UHFFFAOYSA-N -1 1 375.392 1.293 20 0 GDADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CC(=O)N[C@@H]1CCCC[C@H]1C ZINC000826294877 607716503 /nfs/dbraw/zinc/71/65/03/607716503.db2.gz HJPKWNBVGLBIFG-BXUZGUMPSA-N -1 1 381.440 1.580 20 0 GDADMM CCN1CCC[C@@H](NC(=O)C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)C1 ZINC000829764939 604821771 /nfs/dbraw/zinc/82/17/71/604821771.db2.gz CEMHUPVGGIBLIB-GFCCVEGCSA-N -1 1 383.832 1.342 20 0 GDADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CC(=O)Nc1c(F)cccc1F ZINC000826295133 607717357 /nfs/dbraw/zinc/71/73/57/607717357.db2.gz SIPBSIKIONWUOY-UHFFFAOYSA-N -1 1 397.345 1.802 20 0 GDADMM COc1c(C)cnc(Cn2cc(-c3nn[n-]n3)c(=O)c3nc(C)ccc32)c1C ZINC000826167062 607717609 /nfs/dbraw/zinc/71/76/09/607717609.db2.gz NTQPGDXHUKEXPV-UHFFFAOYSA-N -1 1 377.408 1.954 20 0 GDADMM O=C([O-])Cn1cc(CCOC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)nn1 ZINC000833272452 604839656 /nfs/dbraw/zinc/83/96/56/604839656.db2.gz PYWTWYIJCSDGBA-OAHLLOKOSA-N -1 1 390.415 1.500 20 0 GDADMM CCc1nc([C@H](C)NS(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2OC)n[nH]1 ZINC000833674584 604899358 /nfs/dbraw/zinc/89/93/58/604899358.db2.gz UCGUOEQTGYVHIO-QMMMGPOBSA-N -1 1 384.414 1.122 20 0 GDADMM CC(C)(C(=O)[O-])[C@H]1CCCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1 ZINC000833420827 604955038 /nfs/dbraw/zinc/95/50/38/604955038.db2.gz AIZBFZPAAFNRFC-LBPRGKRZSA-N -1 1 383.470 1.095 20 0 GDADMM Cc1[nH]c(C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)c(C)c1C(=O)[O-] ZINC000833740241 604981985 /nfs/dbraw/zinc/98/19/85/604981985.db2.gz QHXHXFMQBZHTDG-DLBZAZTESA-N -1 1 385.464 1.943 20 0 GDADMM C[C@H](OC(=O)c1cncc(C(=O)[O-])c1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000833534816 605016455 /nfs/dbraw/zinc/01/64/55/605016455.db2.gz DAONBARZUAEPSR-KSSFIOAISA-N -1 1 397.431 1.716 20 0 GDADMM C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000833632690 605028666 /nfs/dbraw/zinc/02/86/66/605028666.db2.gz XQVMUVWDHLVJLC-PBHICJAKSA-N -1 1 381.498 1.031 20 0 GDADMM CN(C)C(=O)c1cc(S(=O)(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)cn1C ZINC000833687205 605042241 /nfs/dbraw/zinc/04/22/41/605042241.db2.gz LJUQSDZZWBVJRZ-UHFFFAOYSA-N -1 1 394.453 1.638 20 0 GDADMM CCNC(=O)c1ccc(CNC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)cc1 ZINC000833658300 605046449 /nfs/dbraw/zinc/04/64/49/605046449.db2.gz ZXZBMXMEPBACNS-AWEZNQCLSA-N -1 1 376.457 1.127 20 0 GDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCC(C)(C)c1ccc2c(c1)OCO2 ZINC000833624985 605047836 /nfs/dbraw/zinc/04/78/36/605047836.db2.gz MIVHEDYNWUYART-CQSZACIVSA-N -1 1 391.468 1.883 20 0 GDADMM CS(=O)(=O)c1ccccc1NS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000327292474 605051085 /nfs/dbraw/zinc/05/10/85/605051085.db2.gz NIZSSLVWUSFKEO-DHZHZOJOSA-N -1 1 381.431 1.989 20 0 GDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCC(C)(C)NC(=O)OC(C)(C)C ZINC000833621934 605054664 /nfs/dbraw/zinc/05/46/64/605054664.db2.gz CBOAJJGVQWHGOQ-ZDUSSCGKSA-N -1 1 386.493 1.480 20 0 GDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NC[C@@H](c1c(F)cccc1F)N(C)C ZINC000833626415 605055395 /nfs/dbraw/zinc/05/53/95/605055395.db2.gz QUZNSDHLKFECCT-BBRMVZONSA-N -1 1 398.454 1.758 20 0 GDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000833624116 605057956 /nfs/dbraw/zinc/05/79/56/605057956.db2.gz JDQARCCYKBRTMS-UKRRQHHQSA-N -1 1 398.504 1.480 20 0 GDADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000833767635 605082463 /nfs/dbraw/zinc/08/24/63/605082463.db2.gz LLPHDKBZIBFQCE-DOMZBBRYSA-N -1 1 390.827 1.224 20 0 GDADMM C[C@@H](c1ccncc1)N1CCC(NC(=O)NCC2(C(=O)[O-])CCOCC2)CC1 ZINC000833552215 605090460 /nfs/dbraw/zinc/09/04/60/605090460.db2.gz YJDWHLRWMXUMHD-HNNXBMFYSA-N -1 1 390.484 1.788 20 0 GDADMM COC(=O)c1cc(NC(=O)[C@H](C)N2CCC[C@@H]2C[C@@H](C)O)cc(C(=O)[O-])c1 ZINC000833713527 605091000 /nfs/dbraw/zinc/09/10/00/605091000.db2.gz RQTPGALHTVWGQC-BFQNTYOBSA-N -1 1 378.425 1.734 20 0 GDADMM CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833390559 605094918 /nfs/dbraw/zinc/09/49/18/605094918.db2.gz AJQZJEOIWPLNJN-KXBFYZLASA-N -1 1 387.480 1.530 20 0 GDADMM CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C ZINC000833393567 605104049 /nfs/dbraw/zinc/10/40/49/605104049.db2.gz QZYXDYGCCHOWIS-DNVCBOLYSA-N -1 1 385.464 1.958 20 0 GDADMM CC(C)CNC(=O)N1CCC[C@H](CC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)C1 ZINC000833490182 605110498 /nfs/dbraw/zinc/11/04/98/605110498.db2.gz YPPNYWNRKKLZFJ-DLBZAZTESA-N -1 1 396.532 1.462 20 0 GDADMM O=C([O-])c1ccc(S(=O)(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000833781983 605126488 /nfs/dbraw/zinc/12/64/88/605126488.db2.gz SQQFZESFFWGJCA-ZDUSSCGKSA-N -1 1 376.438 1.949 20 0 GDADMM COC(=O)c1cc(NC(=O)CN[C@H](CO)c2ccccc2C)cc(C(=O)[O-])c1 ZINC000833714954 605139861 /nfs/dbraw/zinc/13/98/61/605139861.db2.gz MCGDZGMXFPDMNG-QGZVFWFLSA-N -1 1 386.404 1.742 20 0 GDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H](c1ccccc1F)N1CCOCC1 ZINC000833626216 605162172 /nfs/dbraw/zinc/16/21/72/605162172.db2.gz YUIOWKOXLUWBAV-DNVCBOLYSA-N -1 1 393.459 1.206 20 0 GDADMM O=C([O-])N1CCC[C@H]1C(=O)NC[C@@H]1CCCN(CN2C(=O)CC23CCC3)C1 ZINC000834024969 605410262 /nfs/dbraw/zinc/41/02/62/605410262.db2.gz GPGNSDZSTJHHFW-GJZGRUSLSA-N -1 1 378.473 1.070 20 0 GDADMM CCC[C@@H](NC(N)=O)C(=O)Nc1ccc(-c2nc(CNC(=O)[O-])n[nH]2)cc1 ZINC000826949613 605436181 /nfs/dbraw/zinc/43/61/81/605436181.db2.gz PLFMRNDUEYCDSI-LLVKDONJSA-N -1 1 375.389 1.015 20 0 GDADMM CCC[C@@H](NC(N)=O)C(=O)Nc1ccc(-c2n[nH]c(CNC(=O)[O-])n2)cc1 ZINC000826949613 605436185 /nfs/dbraw/zinc/43/61/85/605436185.db2.gz PLFMRNDUEYCDSI-LLVKDONJSA-N -1 1 375.389 1.015 20 0 GDADMM O=C([O-])N[C@@H]1CCC[C@H]2CN(CC3=Nc4ccccc4S(=O)(=O)N3)C[C@@H]21 ZINC000834188605 605446157 /nfs/dbraw/zinc/44/61/57/605446157.db2.gz QPTFWVKGJLVKBB-RWMBFGLXSA-N -1 1 378.454 1.377 20 0 GDADMM O=C([O-])N[C@@H]1CCC[C@H]2CN(CC(=O)Nc3cccc4nsnc43)C[C@H]21 ZINC000834190302 605449930 /nfs/dbraw/zinc/44/99/30/605449930.db2.gz WKXJFNYELPLDER-QJPTWQEYSA-N -1 1 375.454 1.998 20 0 GDADMM C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)CCN1CCN(c2ccccn2)CC1 ZINC000825809604 605456685 /nfs/dbraw/zinc/45/66/85/605456685.db2.gz OUJHTMFJAYVUSV-JKSUJKDBSA-N -1 1 375.473 1.241 20 0 GDADMM COc1cc(NC(=O)C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)ccc1NC(=O)[O-] ZINC000829146993 605503356 /nfs/dbraw/zinc/50/33/56/605503356.db2.gz KXTNIJCFQGIJHH-VIFPVBQESA-N -1 1 375.385 1.503 20 0 GDADMM C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)NCc1ccnc(N2CCN(C)CC2)c1 ZINC000825823200 605507481 /nfs/dbraw/zinc/50/74/81/605507481.db2.gz LQJWPRMGDISLKZ-GDBMZVCRSA-N -1 1 390.488 1.164 20 0 GDADMM C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C[C@H]2CSCCN2C(=O)[O-])C[C@@H](C)O1 ZINC000826050467 605624838 /nfs/dbraw/zinc/62/48/38/605624838.db2.gz XMKJLCZXJHRMDU-WCVJEAGWSA-N -1 1 385.530 1.572 20 0 GDADMM O=C([O-])NC[C@@H](NC(=O)N1CCC(CCCN2CCOCC2)CC1)C1CC1 ZINC000834208730 605761201 /nfs/dbraw/zinc/76/12/01/605761201.db2.gz ZFILYGFREHCODW-QGZVFWFLSA-N -1 1 382.505 1.567 20 0 GDADMM Cc1cc(C(=O)N2CCO[C@@H](CN3CCN(C)CC3)C2)ccc1NC(=O)[O-] ZINC000829935148 605808965 /nfs/dbraw/zinc/80/89/65/605808965.db2.gz WXVDGFGPENVLAH-INIZCTEOSA-N -1 1 376.457 1.173 20 0 GDADMM C[C@@]1(C(=O)OCC2=Nc3ccccc3S(=O)(=O)N2)CCCN(C(=O)[O-])C1 ZINC000833822411 605859386 /nfs/dbraw/zinc/85/93/86/605859386.db2.gz QFFJOPJJVIFRTD-MRXNPFEDSA-N -1 1 381.410 1.332 20 0 GDADMM O=C([O-])N1CCC2(CCN(CC(=O)NC(=O)NCc3cccs3)C2)CC1 ZINC000834007580 605897007 /nfs/dbraw/zinc/89/70/07/605897007.db2.gz MTMKTZLEZRSCQK-UHFFFAOYSA-N -1 1 380.470 1.540 20 0 GDADMM C[C@@H]1C[C@@H](CNC(=O)[O-])CN1CC(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000833829672 605911755 /nfs/dbraw/zinc/91/17/55/605911755.db2.gz IMNGGTJVWUHMNW-ZBFHGGJFSA-N -1 1 388.468 1.408 20 0 GDADMM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000834095345 605963911 /nfs/dbraw/zinc/96/39/11/605963911.db2.gz LZNCHJIAEHAKFI-SQNIBIBYSA-N -1 1 391.443 1.942 20 0 GDADMM O=C([O-])N1CCO[C@H](CC(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)C1 ZINC000834119739 605971915 /nfs/dbraw/zinc/97/19/15/605971915.db2.gz STBYNSKUZKADRQ-CABCVRRESA-N -1 1 385.424 1.904 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(NC(=O)[O-])cc2[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000833839107 605994320 /nfs/dbraw/zinc/99/43/20/605994320.db2.gz YOLOWQSVFQZFIQ-BBRMVZONSA-N -1 1 376.457 1.580 20 0 GDADMM Cc1nn(-c2ccccc2)c(CSc2ncc(CO)n2C)c1-c1nn[n-]n1 ZINC000822486647 606020696 /nfs/dbraw/zinc/02/06/96/606020696.db2.gz RHHXSKXLTGMFGS-UHFFFAOYSA-N -1 1 382.453 1.879 20 0 GDADMM O=C([O-])Nc1cnc(C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cn1 ZINC000834279070 606061514 /nfs/dbraw/zinc/06/15/14/606061514.db2.gz HQPCJICPFDJXDU-ZBFHGGJFSA-N -1 1 385.424 1.179 20 0 GDADMM O=C([O-])N1CCSC[C@@H]1CC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000833989653 606093691 /nfs/dbraw/zinc/09/36/91/606093691.db2.gz ZAVXULLVLUCVKJ-OLZOCXBDSA-N -1 1 379.486 1.874 20 0 GDADMM COC[C@@H](OC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C)C(C)C ZINC000821684023 606135641 /nfs/dbraw/zinc/13/56/41/606135641.db2.gz QFECFRUUAWQCAD-OAHLLOKOSA-N -1 1 387.444 1.673 20 0 GDADMM COC[C@@H](OC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C)C(C)C ZINC000821684023 606135642 /nfs/dbraw/zinc/13/56/42/606135642.db2.gz QFECFRUUAWQCAD-OAHLLOKOSA-N -1 1 387.444 1.673 20 0 GDADMM CCc1cnc(CN(C)C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)s1 ZINC000821497757 606158333 /nfs/dbraw/zinc/15/83/33/606158333.db2.gz ZJQBSAXFWNYFJZ-UHFFFAOYSA-N -1 1 391.482 1.980 20 0 GDADMM COc1cc(F)c([C@H](C)NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1OC ZINC000821720730 606158710 /nfs/dbraw/zinc/15/87/10/606158710.db2.gz WQBGOKCGJLJDFF-QMMMGPOBSA-N -1 1 390.379 1.639 20 0 GDADMM COc1cc(F)c([C@H](C)NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1OC ZINC000821720730 606158711 /nfs/dbraw/zinc/15/87/11/606158711.db2.gz WQBGOKCGJLJDFF-QMMMGPOBSA-N -1 1 390.379 1.639 20 0 GDADMM CC(C)Oc1cccc([C@@H](O)CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC000820178487 606164897 /nfs/dbraw/zinc/16/48/97/606164897.db2.gz RJNJYXPNPCQXRE-AWEZNQCLSA-N -1 1 386.416 1.243 20 0 GDADMM CC(C)Oc1cccc([C@@H](O)CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC000820178487 606164899 /nfs/dbraw/zinc/16/48/99/606164899.db2.gz RJNJYXPNPCQXRE-AWEZNQCLSA-N -1 1 386.416 1.243 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)n1 ZINC000822614573 606173332 /nfs/dbraw/zinc/17/33/32/606173332.db2.gz NRXXDNWLTPZAKV-SNVBAGLBSA-N -1 1 391.436 1.121 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)n1 ZINC000822614573 606173334 /nfs/dbraw/zinc/17/33/34/606173334.db2.gz NRXXDNWLTPZAKV-SNVBAGLBSA-N -1 1 391.436 1.121 20 0 GDADMM CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1 ZINC000819810297 606195418 /nfs/dbraw/zinc/19/54/18/606195418.db2.gz FWXXHYZTRLDQDZ-UHFFFAOYSA-N -1 1 395.379 1.741 20 0 GDADMM CC(=O)[C@@H]1CC(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])=NN1c1ccccc1 ZINC000819782237 606196656 /nfs/dbraw/zinc/19/66/56/606196656.db2.gz IVWMDXVSZLMQJJ-INIZCTEOSA-N -1 1 391.391 1.735 20 0 GDADMM C[C@@H](c1cccc(F)c1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000820563703 606269042 /nfs/dbraw/zinc/26/90/42/606269042.db2.gz TXILDOHHDPEDMN-ZDUSSCGKSA-N -1 1 381.415 1.920 20 0 GDADMM C[C@@H](c1cccc(F)c1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000820563703 606269044 /nfs/dbraw/zinc/26/90/44/606269044.db2.gz TXILDOHHDPEDMN-ZDUSSCGKSA-N -1 1 381.415 1.920 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1c[nH]c(=O)c(Br)c1 ZINC000823294576 606293498 /nfs/dbraw/zinc/29/34/98/606293498.db2.gz HVFYFTCNPRZOFA-UHFFFAOYSA-N -1 1 377.158 1.688 20 0 GDADMM COc1ccc([C@@H](CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])NC(C)=O)cc1 ZINC000821777832 606293885 /nfs/dbraw/zinc/29/38/85/606293885.db2.gz MULYAWZFNNJJIN-OAHLLOKOSA-N -1 1 396.407 1.787 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@]1(C)CCCC[C@@H]1O ZINC000822005883 606326841 /nfs/dbraw/zinc/32/68/41/606326841.db2.gz VGNCUYNFMWZFKG-LIRRHRJNSA-N -1 1 388.472 1.574 20 0 GDADMM COCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(-c2nn[n-]n2)s1 ZINC000821691385 606393787 /nfs/dbraw/zinc/39/37/87/606393787.db2.gz SCXOWHMTLVUTDG-LBPRGKRZSA-N -1 1 378.414 1.088 20 0 GDADMM CN1C(=O)N[C@]2(CCC[C@@H]2CNc2snc(Cl)c2-c2nnn[n-]2)C1=O ZINC000821620909 606422989 /nfs/dbraw/zinc/42/29/89/606422989.db2.gz ZNQDYOYWLFEAEX-UANNBLPKSA-N -1 1 382.837 1.109 20 0 GDADMM CN1C(=O)N[C@]2(CCC[C@@H]2CNc2snc(Cl)c2-c2nn[n-]n2)C1=O ZINC000821620909 606422991 /nfs/dbraw/zinc/42/29/91/606422991.db2.gz ZNQDYOYWLFEAEX-UANNBLPKSA-N -1 1 382.837 1.109 20 0 GDADMM CCOCCCNC(=O)C1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000821378343 606452015 /nfs/dbraw/zinc/45/20/15/606452015.db2.gz LZLFNLKNOWGGAQ-UHFFFAOYSA-N -1 1 399.908 1.736 20 0 GDADMM CCOCCCNC(=O)C1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000821378343 606452017 /nfs/dbraw/zinc/45/20/17/606452017.db2.gz LZLFNLKNOWGGAQ-UHFFFAOYSA-N -1 1 399.908 1.736 20 0 GDADMM O=C(Cn1cc(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)cn1)NC1CCCC1 ZINC000823118682 606463437 /nfs/dbraw/zinc/46/34/37/606463437.db2.gz LWEBZAPJLXELDB-UHFFFAOYSA-N -1 1 387.835 1.914 20 0 GDADMM O=C(Cn1cc(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)cn1)NC1CCCC1 ZINC000823118682 606463439 /nfs/dbraw/zinc/46/34/39/606463439.db2.gz LWEBZAPJLXELDB-UHFFFAOYSA-N -1 1 387.835 1.914 20 0 GDADMM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000820770196 606473123 /nfs/dbraw/zinc/47/31/23/606473123.db2.gz ZKPLKJSIYNMJSV-RQJHMYQMSA-N -1 1 377.883 1.059 20 0 GDADMM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000820770196 606473124 /nfs/dbraw/zinc/47/31/24/606473124.db2.gz ZKPLKJSIYNMJSV-RQJHMYQMSA-N -1 1 377.883 1.059 20 0 GDADMM Cc1ccc([C@@H]2[C@@H](C)CCCN2c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1 ZINC000822231661 606475701 /nfs/dbraw/zinc/47/57/01/606475701.db2.gz CCAMDWOYQYMFOY-BBRMVZONSA-N -1 1 395.467 1.550 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCCC[C@H]2c2ccc(F)cc2)n(C)c1=O ZINC000822599130 606477813 /nfs/dbraw/zinc/47/78/13/606477813.db2.gz AEQMEOKUHRELQB-ZDUSSCGKSA-N -1 1 385.403 1.135 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000823488851 606502671 /nfs/dbraw/zinc/50/26/71/606502671.db2.gz VQIVFIZUHPOSCP-UHFFFAOYSA-N -1 1 386.412 1.666 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000823488851 606502674 /nfs/dbraw/zinc/50/26/74/606502674.db2.gz VQIVFIZUHPOSCP-UHFFFAOYSA-N -1 1 386.412 1.666 20 0 GDADMM O=C(CNC(=O)Cc1cccc2ccccc21)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000823111425 606532632 /nfs/dbraw/zinc/53/26/32/606532632.db2.gz HRFVPFAJDAIFPK-UHFFFAOYSA-N -1 1 376.380 1.040 20 0 GDADMM O=C(CNC(=O)Cc1cccc2ccccc21)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000823111425 606532634 /nfs/dbraw/zinc/53/26/34/606532634.db2.gz HRFVPFAJDAIFPK-UHFFFAOYSA-N -1 1 376.380 1.040 20 0 GDADMM O=C(NCCc1csc(N2CCCC2)n1)c1ccc(-c2nnn[n-]2)s1 ZINC000823223924 606564444 /nfs/dbraw/zinc/56/44/44/606564444.db2.gz LGGARFUCAHLYHD-UHFFFAOYSA-N -1 1 375.483 1.957 20 0 GDADMM O=C(NCCc1csc(N2CCCC2)n1)c1ccc(-c2nn[n-]n2)s1 ZINC000823223924 606564445 /nfs/dbraw/zinc/56/44/45/606564445.db2.gz LGGARFUCAHLYHD-UHFFFAOYSA-N -1 1 375.483 1.957 20 0 GDADMM O=C(NCc1cc(F)ccc1N1CCOCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823242403 606571605 /nfs/dbraw/zinc/57/16/05/606571605.db2.gz YDANCNOSXDMPRA-UHFFFAOYSA-N -1 1 388.428 1.834 20 0 GDADMM O=C(NCc1cc(F)ccc1N1CCOCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823242403 606571606 /nfs/dbraw/zinc/57/16/06/606571606.db2.gz YDANCNOSXDMPRA-UHFFFAOYSA-N -1 1 388.428 1.834 20 0 GDADMM CC(C)(C)OC(=O)[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000819921984 606618061 /nfs/dbraw/zinc/61/80/61/606618061.db2.gz CXALYDNNOLQXGS-SNVBAGLBSA-N -1 1 397.432 1.358 20 0 GDADMM CC(C)(C)OC(=O)[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000819921984 606618063 /nfs/dbraw/zinc/61/80/63/606618063.db2.gz CXALYDNNOLQXGS-SNVBAGLBSA-N -1 1 397.432 1.358 20 0 GDADMM COc1cccc(CCNC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)n1 ZINC000821867302 606633365 /nfs/dbraw/zinc/63/33/65/606633365.db2.gz BEVWDAAPRQPODA-UHFFFAOYSA-N -1 1 387.425 1.065 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000823290046 606642421 /nfs/dbraw/zinc/64/24/21/606642421.db2.gz SLRGOQFPWOGTHU-CYBMUJFWSA-N -1 1 399.455 1.875 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Nc1nc2ccc(F)cn2n1 ZINC000822540421 606645705 /nfs/dbraw/zinc/64/57/05/606645705.db2.gz AQMQUEAGEDRTKV-UHFFFAOYSA-N -1 1 393.342 1.993 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)C1 ZINC000819933613 606647879 /nfs/dbraw/zinc/64/78/79/606647879.db2.gz XKHFPTBJBSYZRG-QGZVFWFLSA-N -1 1 392.391 1.654 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)C1 ZINC000819933613 606647880 /nfs/dbraw/zinc/64/78/80/606647880.db2.gz XKHFPTBJBSYZRG-QGZVFWFLSA-N -1 1 392.391 1.654 20 0 GDADMM O=C(CSc1nnnn1C1CCCC1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823074213 606649083 /nfs/dbraw/zinc/64/90/83/606649083.db2.gz MRBWUJZWDUBMPE-UHFFFAOYSA-N -1 1 387.429 1.199 20 0 GDADMM O=C(CSc1nnnn1C1CCCC1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823074213 606649084 /nfs/dbraw/zinc/64/90/84/606649084.db2.gz MRBWUJZWDUBMPE-UHFFFAOYSA-N -1 1 387.429 1.199 20 0 GDADMM Cc1nnnn1C(=Cc1ccccc1)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822519594 606650527 /nfs/dbraw/zinc/65/05/27/606650527.db2.gz JDFYRESDOPWRQP-MHWRWJLKSA-N -1 1 389.379 1.298 20 0 GDADMM Cc1nnnn1C(=Cc1ccccc1)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822519594 606650528 /nfs/dbraw/zinc/65/05/28/606650528.db2.gz JDFYRESDOPWRQP-MHWRWJLKSA-N -1 1 389.379 1.298 20 0 GDADMM O=C(CN1C(=O)CSc2ccccc21)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822992647 606650659 /nfs/dbraw/zinc/65/06/59/606650659.db2.gz LIFYQEPSKPHCIL-UHFFFAOYSA-N -1 1 382.405 1.444 20 0 GDADMM O=C(CN1C(=O)CSc2ccccc21)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822992647 606650660 /nfs/dbraw/zinc/65/06/60/606650660.db2.gz LIFYQEPSKPHCIL-UHFFFAOYSA-N -1 1 382.405 1.444 20 0 GDADMM C[C@@H](C(=O)OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000819882540 606653364 /nfs/dbraw/zinc/65/33/64/606653364.db2.gz BFVHHCUBHADJHD-LLVKDONJSA-N -1 1 387.421 1.512 20 0 GDADMM C[C@@H](C(=O)OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000819882540 606653365 /nfs/dbraw/zinc/65/33/65/606653365.db2.gz BFVHHCUBHADJHD-LLVKDONJSA-N -1 1 387.421 1.512 20 0 GDADMM CCOCCOc1cc(C)ccc1CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821384123 606687975 /nfs/dbraw/zinc/68/79/75/606687975.db2.gz QFOWGRKPXATOPU-UHFFFAOYSA-N -1 1 382.424 1.915 20 0 GDADMM CCOCCOc1cc(C)ccc1CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821384123 606687976 /nfs/dbraw/zinc/68/79/76/606687976.db2.gz QFOWGRKPXATOPU-UHFFFAOYSA-N -1 1 382.424 1.915 20 0 GDADMM COC(=O)[C@H]1CN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)C[C@H]1C ZINC000821655731 606690156 /nfs/dbraw/zinc/69/01/56/606690156.db2.gz QNIOBKAUPPDOOI-PWSUYJOCSA-N -1 1 384.396 1.440 20 0 GDADMM COC(=O)[C@H]1CN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)C[C@H]1C ZINC000821655731 606690157 /nfs/dbraw/zinc/69/01/57/606690157.db2.gz QNIOBKAUPPDOOI-PWSUYJOCSA-N -1 1 384.396 1.440 20 0 GDADMM O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1=O)c1ccc(-c2nnn[n-]2)s1 ZINC000823154515 606693837 /nfs/dbraw/zinc/69/38/37/606693837.db2.gz DTHXTOSZDZRGFD-SNVBAGLBSA-N -1 1 390.375 1.742 20 0 GDADMM O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823154515 606693838 /nfs/dbraw/zinc/69/38/38/606693838.db2.gz DTHXTOSZDZRGFD-SNVBAGLBSA-N -1 1 390.375 1.742 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC[C@H]2CSCCS2)cc1-c1nn[n-]n1 ZINC000821978860 606697864 /nfs/dbraw/zinc/69/78/64/606697864.db2.gz NGJSIBPJRLPGJA-ZETCQYMHSA-N -1 1 384.512 1.268 20 0 GDADMM C[C@H](C(=O)N1CCCC1)N1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000819857697 606730382 /nfs/dbraw/zinc/73/03/82/606730382.db2.gz UKEYYAXOKVZHFE-GFCCVEGCSA-N -1 1 390.879 1.048 20 0 GDADMM C[C@H](C(=O)N1CCCC1)N1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000819857697 606730384 /nfs/dbraw/zinc/73/03/84/606730384.db2.gz UKEYYAXOKVZHFE-GFCCVEGCSA-N -1 1 390.879 1.048 20 0 GDADMM C[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1cccc(N2CCCC2)c1 ZINC000820449707 606732676 /nfs/dbraw/zinc/73/26/76/606732676.db2.gz AZGMIDYKCPQUOO-GFCCVEGCSA-N -1 1 396.455 1.037 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=S)NC1CCCCC1 ZINC000820788188 606764747 /nfs/dbraw/zinc/76/47/47/606764747.db2.gz AAUUZMDNWLQSFI-LBPRGKRZSA-N -1 1 387.517 1.374 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=S)NC1CCCCC1 ZINC000820788188 606764748 /nfs/dbraw/zinc/76/47/48/606764748.db2.gz AAUUZMDNWLQSFI-LBPRGKRZSA-N -1 1 387.517 1.374 20 0 GDADMM CC(C)c1nc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cs1 ZINC000820203452 606781419 /nfs/dbraw/zinc/78/14/19/606781419.db2.gz UOPSAYOTPIPZPS-GFCCVEGCSA-N -1 1 385.501 1.947 20 0 GDADMM CC(C)c1nc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cs1 ZINC000820203452 606781420 /nfs/dbraw/zinc/78/14/20/606781420.db2.gz UOPSAYOTPIPZPS-GFCCVEGCSA-N -1 1 385.501 1.947 20 0 GDADMM CC[C@@H]1CCCC[C@H]1NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820978657 606788992 /nfs/dbraw/zinc/78/89/92/606788992.db2.gz BTWKUUAUNRFAJQ-RBSFLKMASA-N -1 1 399.503 1.846 20 0 GDADMM CC[C@@H]1CCCC[C@H]1NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820978657 606788995 /nfs/dbraw/zinc/78/89/95/606788995.db2.gz BTWKUUAUNRFAJQ-RBSFLKMASA-N -1 1 399.503 1.846 20 0 GDADMM C[C@@H]1CC[C@@H](CCC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)O1 ZINC000820683482 606819480 /nfs/dbraw/zinc/81/94/80/606819480.db2.gz BVMZPYSLCIILOI-MJBXVCDLSA-N -1 1 386.460 1.042 20 0 GDADMM C[C@@H]1CC[C@@H](CCC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)O1 ZINC000820683482 606819482 /nfs/dbraw/zinc/81/94/82/606819482.db2.gz BVMZPYSLCIILOI-MJBXVCDLSA-N -1 1 386.460 1.042 20 0 GDADMM CCc1ncc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)s1 ZINC000821518528 606820539 /nfs/dbraw/zinc/82/05/39/606820539.db2.gz YSNAKEBUGNXVJI-SNVBAGLBSA-N -1 1 385.457 1.027 20 0 GDADMM CCc1ncc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)s1 ZINC000821518528 606820540 /nfs/dbraw/zinc/82/05/40/606820540.db2.gz YSNAKEBUGNXVJI-SNVBAGLBSA-N -1 1 385.457 1.027 20 0 GDADMM Cc1ccc(C)c(CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1 ZINC000822231612 606820885 /nfs/dbraw/zinc/82/08/85/606820885.db2.gz ACWAWWAMGYXOTB-HNNXBMFYSA-N -1 1 392.467 1.553 20 0 GDADMM Cc1ccc(C)c(CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1 ZINC000822231612 606820887 /nfs/dbraw/zinc/82/08/87/606820887.db2.gz ACWAWWAMGYXOTB-HNNXBMFYSA-N -1 1 392.467 1.553 20 0 GDADMM Cc1cccc([C@H](C)C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1 ZINC000822288677 606822623 /nfs/dbraw/zinc/82/26/23/606822623.db2.gz GCSODBIKYMDNEG-GJZGRUSLSA-N -1 1 392.467 1.806 20 0 GDADMM Cc1cccc([C@H](C)C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1 ZINC000822288677 606822624 /nfs/dbraw/zinc/82/26/24/606822624.db2.gz GCSODBIKYMDNEG-GJZGRUSLSA-N -1 1 392.467 1.806 20 0 GDADMM CC(C)(C)c1ccc(CCNC(=O)Cn2cccc(-c3nn[n-]n3)c2=O)cc1 ZINC000819959105 606824492 /nfs/dbraw/zinc/82/44/92/606824492.db2.gz YKZNAGWOMSUUOO-UHFFFAOYSA-N -1 1 380.452 1.685 20 0 GDADMM COc1cc(C)c([C@H](C)NC(=O)Cn2cccc(-c3nn[n-]n3)c2=O)cc1OC ZINC000821708551 606824774 /nfs/dbraw/zinc/82/47/74/606824774.db2.gz SJZBSRXJHTWBDT-LBPRGKRZSA-N -1 1 398.423 1.231 20 0 GDADMM Cc1cc(C)cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1 ZINC000822196233 606825560 /nfs/dbraw/zinc/82/55/60/606825560.db2.gz ARUAMDAWZCQIKS-CQSZACIVSA-N -1 1 378.440 1.624 20 0 GDADMM Cc1cc(C)cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1 ZINC000822196233 606825562 /nfs/dbraw/zinc/82/55/62/606825562.db2.gz ARUAMDAWZCQIKS-CQSZACIVSA-N -1 1 378.440 1.624 20 0 GDADMM C[C@@H]1CCC[C@H](NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)[C@@H]1C ZINC000820698207 606826024 /nfs/dbraw/zinc/82/60/24/606826024.db2.gz RDDIIQBHTRLTIU-TUVASFSCSA-N -1 1 399.503 1.702 20 0 GDADMM C[C@@H]1CCC[C@H](NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)[C@@H]1C ZINC000820698207 606826026 /nfs/dbraw/zinc/82/60/26/606826026.db2.gz RDDIIQBHTRLTIU-TUVASFSCSA-N -1 1 399.503 1.702 20 0 GDADMM C[C@H](NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)c1cccnc1 ZINC000820352164 606832635 /nfs/dbraw/zinc/83/26/35/606832635.db2.gz SQVRKYXIALSMEN-STQMWFEESA-N -1 1 394.443 1.033 20 0 GDADMM C[C@H](NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)c1cccnc1 ZINC000820352164 606832637 /nfs/dbraw/zinc/83/26/37/606832637.db2.gz SQVRKYXIALSMEN-STQMWFEESA-N -1 1 394.443 1.033 20 0 GDADMM CC(C)n1cc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cn1 ZINC000820788501 606835503 /nfs/dbraw/zinc/83/55/03/606835503.db2.gz IMFDHWHYEUOKFQ-GFCCVEGCSA-N -1 1 397.447 1.177 20 0 GDADMM CC(C)n1cc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cn1 ZINC000820788501 606835505 /nfs/dbraw/zinc/83/55/05/606835505.db2.gz IMFDHWHYEUOKFQ-GFCCVEGCSA-N -1 1 397.447 1.177 20 0 GDADMM CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820863847 606840536 /nfs/dbraw/zinc/84/05/36/606840536.db2.gz UVVBCLQTXJGQJR-ZWNOBZJWSA-N -1 1 376.442 1.253 20 0 GDADMM CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820863847 606840538 /nfs/dbraw/zinc/84/05/38/606840538.db2.gz UVVBCLQTXJGQJR-ZWNOBZJWSA-N -1 1 376.442 1.253 20 0 GDADMM CCOCCN1C(=O)N[C@H](c2ccc(-c3nnn[n-]3)o2)C(C(=O)OC)=C1C ZINC000821378127 606849541 /nfs/dbraw/zinc/84/95/41/606849541.db2.gz JEFNRGDXCGLLPT-CYBMUJFWSA-N -1 1 376.373 1.010 20 0 GDADMM CCOCCN1C(=O)N[C@H](c2ccc(-c3nn[n-]n3)o2)C(C(=O)OC)=C1C ZINC000821378127 606849544 /nfs/dbraw/zinc/84/95/44/606849544.db2.gz JEFNRGDXCGLLPT-CYBMUJFWSA-N -1 1 376.373 1.010 20 0 GDADMM CCNS(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821294908 606937890 /nfs/dbraw/zinc/93/78/90/606937890.db2.gz ZHEGOKMZYCRNBY-UHFFFAOYSA-N -1 1 392.466 1.156 20 0 GDADMM CCNS(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821294908 606937891 /nfs/dbraw/zinc/93/78/91/606937891.db2.gz ZHEGOKMZYCRNBY-UHFFFAOYSA-N -1 1 392.466 1.156 20 0 GDADMM CCC[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccc(F)cc1F ZINC000821020960 606949233 /nfs/dbraw/zinc/94/92/33/606949233.db2.gz KEVJWXCURMUVAN-LBPRGKRZSA-N -1 1 391.382 1.496 20 0 GDADMM Cc1cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)ccc1Cl ZINC000822167355 607048147 /nfs/dbraw/zinc/04/81/47/607048147.db2.gz CUGZUXNQQQYYBU-GFCCVEGCSA-N -1 1 398.858 1.969 20 0 GDADMM Cc1cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)ccc1Cl ZINC000822167355 607048148 /nfs/dbraw/zinc/04/81/48/607048148.db2.gz CUGZUXNQQQYYBU-GFCCVEGCSA-N -1 1 398.858 1.969 20 0 GDADMM CC(C)(C)OC1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000819946836 607048668 /nfs/dbraw/zinc/04/86/68/607048668.db2.gz SSFYJANKWQZWHE-UHFFFAOYSA-N -1 1 383.449 1.974 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)N[C@H](CCO)C(C)C)c1-c1nn[n-]n1 ZINC000821990555 607062078 /nfs/dbraw/zinc/06/20/78/607062078.db2.gz UMYHFFYXLZVXGZ-GFCCVEGCSA-N -1 1 376.486 1.998 20 0 GDADMM CCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ncc(-c3nnn[n-]3)s2)c1 ZINC000821294029 607106475 /nfs/dbraw/zinc/10/64/75/607106475.db2.gz PZRCTSHOCKOURW-UHFFFAOYSA-N -1 1 393.454 1.182 20 0 GDADMM CCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ncc(-c3nn[n-]n3)s2)c1 ZINC000821294029 607106476 /nfs/dbraw/zinc/10/64/76/607106476.db2.gz PZRCTSHOCKOURW-UHFFFAOYSA-N -1 1 393.454 1.182 20 0 GDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000823380099 607108813 /nfs/dbraw/zinc/10/88/13/607108813.db2.gz QIDCVMIOTIGHRN-UHFFFAOYSA-N -1 1 384.356 1.261 20 0 GDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000823380099 607108814 /nfs/dbraw/zinc/10/88/14/607108814.db2.gz QIDCVMIOTIGHRN-UHFFFAOYSA-N -1 1 384.356 1.261 20 0 GDADMM O=c1c(-c2nn[n-]n2)cccn1Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000823657596 607133513 /nfs/dbraw/zinc/13/35/13/607133513.db2.gz SCSKIRZPBPJBHF-UHFFFAOYSA-N -1 1 375.270 1.544 20 0 GDADMM COc1ccc(-c2nn[nH]n2)cc1NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000821766409 607172206 /nfs/dbraw/zinc/17/22/06/607172206.db2.gz WAFKQRDNMOENOW-UHFFFAOYSA-N -1 1 393.356 1.513 20 0 GDADMM CS[C@@H](CO)[C@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000821948211 607187252 /nfs/dbraw/zinc/18/72/52/607187252.db2.gz BFHGQZNVRMYVOY-ONGXEEELSA-N -1 1 376.442 1.401 20 0 GDADMM CS[C@@H](CO)[C@H](C)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000821948211 607187253 /nfs/dbraw/zinc/18/72/53/607187253.db2.gz BFHGQZNVRMYVOY-ONGXEEELSA-N -1 1 376.442 1.401 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1cccc(COc2ccccc2)c1 ZINC000823131927 607209775 /nfs/dbraw/zinc/20/97/75/607209775.db2.gz RAVUAGHUHUDXRN-UHFFFAOYSA-N -1 1 390.407 1.354 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(OCc2ccncc2)cc1 ZINC000823136365 607215072 /nfs/dbraw/zinc/21/50/72/607215072.db2.gz XSJCYKXDYMNWEU-UHFFFAOYSA-N -1 1 377.368 1.071 20 0 GDADMM COc1cccc(-c2ccc(CNC(=O)Cn3cnc(-c4nn[n-]n4)n3)cc2)c1 ZINC000821854569 607219566 /nfs/dbraw/zinc/21/95/66/607219566.db2.gz NJFPUQVOLRLAAF-UHFFFAOYSA-N -1 1 390.407 1.450 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(OCc2ccccn2)c(F)c1 ZINC000823136415 607221338 /nfs/dbraw/zinc/22/13/38/607221338.db2.gz ZLNIYCABBPEOIA-UHFFFAOYSA-N -1 1 395.358 1.210 20 0 GDADMM CC[C@@H](CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)Oc1ccccc1Cl ZINC000820908542 607221425 /nfs/dbraw/zinc/22/14/25/607221425.db2.gz NKXMEWTZUTURSU-JTQLQIEISA-N -1 1 376.808 1.085 20 0 GDADMM Cc1ccc(SC2(CNC(=O)Cn3cnc(-c4nn[n-]n4)n3)CCCC2)cc1 ZINC000822267307 607222304 /nfs/dbraw/zinc/22/23/04/607222304.db2.gz RWRLSVNAJIPETH-UHFFFAOYSA-N -1 1 398.496 1.988 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000823127127 607222544 /nfs/dbraw/zinc/22/25/44/607222544.db2.gz UEZUUQBTQDBXKL-SIFUEBAJSA-N -1 1 378.440 1.943 20 0 GDADMM Cc1ccc(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c(O[C@@H](C)CC(C)C)c1 ZINC000822237235 607223312 /nfs/dbraw/zinc/22/33/12/607223312.db2.gz KXRYGLQTIBOHKP-AWEZNQCLSA-N -1 1 398.471 1.896 20 0 GDADMM CC(=O)O[C@H]1CCCN(C(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C1 ZINC000824005373 607792132 /nfs/dbraw/zinc/79/21/32/607792132.db2.gz PMFWWGWMAOGLLN-ZDUSSCGKSA-N -1 1 388.428 1.071 20 0 GDADMM CCN(CCS(C)(=O)=O)C(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000825424450 607797812 /nfs/dbraw/zinc/79/78/12/607797812.db2.gz HNCXTPOQVCDUCT-UHFFFAOYSA-N -1 1 392.441 1.066 20 0 GDADMM CCN(CCS(C)(=O)=O)C(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000825424450 607797813 /nfs/dbraw/zinc/79/78/13/607797813.db2.gz HNCXTPOQVCDUCT-UHFFFAOYSA-N -1 1 392.441 1.066 20 0 GDADMM CN(CCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000825938330 607820864 /nfs/dbraw/zinc/82/08/64/607820864.db2.gz PMMQETLGGJCBDH-UHFFFAOYSA-N -1 1 383.799 1.648 20 0 GDADMM CN(CCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000825938330 607820865 /nfs/dbraw/zinc/82/08/65/607820865.db2.gz PMMQETLGGJCBDH-UHFFFAOYSA-N -1 1 383.799 1.648 20 0 GDADMM O=S(=O)(Oc1cccc(F)c1-c1nnn[n-]1)c1cnn(C2CCOCC2)c1 ZINC000826493416 607868015 /nfs/dbraw/zinc/86/80/15/607868015.db2.gz JNGBUVNZXZSONX-UHFFFAOYSA-N -1 1 394.388 1.322 20 0 GDADMM O=S(=O)(Oc1cccc(F)c1-c1nn[n-]n1)c1cnn(C2CCOCC2)c1 ZINC000826493416 607868016 /nfs/dbraw/zinc/86/80/16/607868016.db2.gz JNGBUVNZXZSONX-UHFFFAOYSA-N -1 1 394.388 1.322 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)NCc2cc(C)ncn2)c1-c1nn[n-]n1 ZINC000826231406 607944055 /nfs/dbraw/zinc/94/40/55/607944055.db2.gz KAPWWNLAMPHEFZ-UHFFFAOYSA-N -1 1 382.453 1.889 20 0 GDADMM Cc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)cc1C ZINC000826290385 607974139 /nfs/dbraw/zinc/97/41/39/607974139.db2.gz KQHAZMMTIWGNPY-UHFFFAOYSA-N -1 1 399.480 1.389 20 0 GDADMM Cc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)cc1C ZINC000826290385 607974140 /nfs/dbraw/zinc/97/41/40/607974140.db2.gz KQHAZMMTIWGNPY-UHFFFAOYSA-N -1 1 399.480 1.389 20 0 GDADMM Cc1oc(NC(=O)COC(=O)c2nc(Cl)ccc2N)c(-c2nn[n-]n2)c1C ZINC000826342353 607974206 /nfs/dbraw/zinc/97/42/06/607974206.db2.gz HIDAZVDKPXHCRY-UHFFFAOYSA-N -1 1 391.775 1.503 20 0 GDADMM COC(=O)C1(N(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCCCC1 ZINC000826123299 607975703 /nfs/dbraw/zinc/97/57/03/607975703.db2.gz BMNAGUYVHHKZRS-UHFFFAOYSA-N -1 1 397.432 1.502 20 0 GDADMM COC(=O)C1(N(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCCCC1 ZINC000826123299 607975704 /nfs/dbraw/zinc/97/57/04/607975704.db2.gz BMNAGUYVHHKZRS-UHFFFAOYSA-N -1 1 397.432 1.502 20 0 GDADMM CC(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823989459 607997168 /nfs/dbraw/zinc/99/71/68/607997168.db2.gz YNHMDXIBVDZBAQ-INIZCTEOSA-N -1 1 378.392 1.484 20 0 GDADMM Cc1nn(-c2ccccc2)c(Cn2cnc3c(c2=O)CCCC3)c1-c1nn[n-]n1 ZINC000826332738 608023592 /nfs/dbraw/zinc/02/35/92/608023592.db2.gz FTUAGAGZBSULBY-UHFFFAOYSA-N -1 1 388.435 1.845 20 0 GDADMM CCOC(=O)C[C@H](C)CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000825498818 608040163 /nfs/dbraw/zinc/04/01/63/608040163.db2.gz CUVKYYXPVGYWOE-NSHDSACASA-N -1 1 386.412 1.878 20 0 GDADMM CCOC(=O)C[C@H](C)CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000825498818 608040164 /nfs/dbraw/zinc/04/01/64/608040164.db2.gz CUVKYYXPVGYWOE-NSHDSACASA-N -1 1 386.412 1.878 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)Nc1cccc(CO)c1 ZINC000826328529 608106035 /nfs/dbraw/zinc/10/60/35/608106035.db2.gz UUNIEMWZWVMKAV-UHFFFAOYSA-N -1 1 392.423 1.590 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)Nc1cccc(CO)c1 ZINC000826328529 608106036 /nfs/dbraw/zinc/10/60/36/608106036.db2.gz UUNIEMWZWVMKAV-UHFFFAOYSA-N -1 1 392.423 1.590 20 0 GDADMM CC1([C@@H]2CCCN(S(=O)(=O)c3ccc(F)c(-c4nn[n-]n4)c3)C2)OCCO1 ZINC000824816836 608126937 /nfs/dbraw/zinc/12/69/37/608126937.db2.gz ISIZNLNKRCPRKC-LLVKDONJSA-N -1 1 397.432 1.170 20 0 GDADMM CC(C)n1cccc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000825000232 608155572 /nfs/dbraw/zinc/15/55/72/608155572.db2.gz OHVIPRMEJJIAAB-CYBMUJFWSA-N -1 1 381.444 1.390 20 0 GDADMM CC(C)n1cccc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000825000232 608155574 /nfs/dbraw/zinc/15/55/74/608155574.db2.gz OHVIPRMEJJIAAB-CYBMUJFWSA-N -1 1 381.444 1.390 20 0 GDADMM Cn1cnn(-c2ccc(Nc3snc(Cl)c3-c3nnn[n-]3)cc2)c1=O ZINC000826365471 608194108 /nfs/dbraw/zinc/19/41/08/608194108.db2.gz PHLHDBGZPROREX-UHFFFAOYSA-N -1 1 375.805 1.605 20 0 GDADMM Cn1cnn(-c2ccc(Nc3snc(Cl)c3-c3nn[n-]n3)cc2)c1=O ZINC000826365471 608194109 /nfs/dbraw/zinc/19/41/09/608194109.db2.gz PHLHDBGZPROREX-UHFFFAOYSA-N -1 1 375.805 1.605 20 0 GDADMM CC[C@H](OC1CCCC1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825153745 608210676 /nfs/dbraw/zinc/21/06/76/608210676.db2.gz JECFMDJILBYBCL-ZDUSSCGKSA-N -1 1 376.465 1.301 20 0 GDADMM CC[C@H](OC1CCCC1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825153745 608210679 /nfs/dbraw/zinc/21/06/79/608210679.db2.gz JECFMDJILBYBCL-ZDUSSCGKSA-N -1 1 376.465 1.301 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cc2cccc(F)c2o1 ZINC000825933927 608211320 /nfs/dbraw/zinc/21/13/20/608211320.db2.gz IUQYIWSYTUXBFW-UHFFFAOYSA-N -1 1 384.375 1.762 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cc2cccc(F)c2o1 ZINC000825933927 608211322 /nfs/dbraw/zinc/21/13/22/608211322.db2.gz IUQYIWSYTUXBFW-UHFFFAOYSA-N -1 1 384.375 1.762 20 0 GDADMM Cc1nc(CCCC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cs1 ZINC000826324796 608212172 /nfs/dbraw/zinc/21/21/72/608212172.db2.gz FIUIYABWEGNOPM-UHFFFAOYSA-N -1 1 389.489 1.351 20 0 GDADMM Cc1nc(CCCC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cs1 ZINC000826324796 608212173 /nfs/dbraw/zinc/21/21/73/608212173.db2.gz FIUIYABWEGNOPM-UHFFFAOYSA-N -1 1 389.489 1.351 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)[C@H](C)CN1C(=O)OC(C)(C)C ZINC000824974742 608245471 /nfs/dbraw/zinc/24/54/71/608245471.db2.gz FBOKJZQYLJKMSP-VXGBXAGGSA-N -1 1 387.444 1.732 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)[C@H](C)CN1C(=O)OC(C)(C)C ZINC000824974742 608245473 /nfs/dbraw/zinc/24/54/73/608245473.db2.gz FBOKJZQYLJKMSP-VXGBXAGGSA-N -1 1 387.444 1.732 20 0 GDADMM Cn1cc([C@@H](O)C[C@@H]2CCCN2c2snc(Cl)c2-c2nnn[n-]2)cn1 ZINC000826359460 608302074 /nfs/dbraw/zinc/30/20/74/608302074.db2.gz HYBICZQCWVYNQM-UWVGGRQHSA-N -1 1 380.865 1.803 20 0 GDADMM Cn1cc([C@@H](O)C[C@@H]2CCCN2c2snc(Cl)c2-c2nn[n-]n2)cn1 ZINC000826359460 608302077 /nfs/dbraw/zinc/30/20/77/608302077.db2.gz HYBICZQCWVYNQM-UWVGGRQHSA-N -1 1 380.865 1.803 20 0 GDADMM Cc1nc2n(n1)CCN(Cc1c(-c3nn[n-]n3)c(C)nn1-c1ccccc1)C2 ZINC000826329014 608313981 /nfs/dbraw/zinc/31/39/81/608313981.db2.gz MZAINBCQTAIYPF-UHFFFAOYSA-N -1 1 376.428 1.277 20 0 GDADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826223618 608336207 /nfs/dbraw/zinc/33/62/07/608336207.db2.gz TZCZLEPQEBOZBP-UHFFFAOYSA-N -1 1 390.400 1.559 20 0 GDADMM COC[C@H]([N-]S(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F)c1ccco1 ZINC000826150433 608338245 /nfs/dbraw/zinc/33/82/45/608338245.db2.gz DQTPGFGRCAPONV-ZDUSSCGKSA-N -1 1 381.389 1.406 20 0 GDADMM C[C@@H](Cc1ccco1)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824458214 608340423 /nfs/dbraw/zinc/34/04/23/608340423.db2.gz UGSFJADQRKZYGS-JTQLQIEISA-N -1 1 386.416 1.097 20 0 GDADMM C[C@@H](Cc1ccco1)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824458214 608340424 /nfs/dbraw/zinc/34/04/24/608340424.db2.gz UGSFJADQRKZYGS-JTQLQIEISA-N -1 1 386.416 1.097 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N2CCC[C@@H]2C2CCC2)n1 ZINC000824141074 608351002 /nfs/dbraw/zinc/35/10/02/608351002.db2.gz CITYVLFDXDYNOJ-CYBMUJFWSA-N -1 1 386.460 1.548 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N2CCC[C@@H]2C2CCC2)n1 ZINC000824141074 608351004 /nfs/dbraw/zinc/35/10/04/608351004.db2.gz CITYVLFDXDYNOJ-CYBMUJFWSA-N -1 1 386.460 1.548 20 0 GDADMM C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)[C@H](C)C1 ZINC000824915355 608353765 /nfs/dbraw/zinc/35/37/65/608353765.db2.gz DJWCSNLECWIYDG-NQBHXWOUSA-N -1 1 388.476 1.698 20 0 GDADMM C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)[C@H](C)C1 ZINC000824915355 608353767 /nfs/dbraw/zinc/35/37/67/608353767.db2.gz DJWCSNLECWIYDG-NQBHXWOUSA-N -1 1 388.476 1.698 20 0 GDADMM CC(C)CC1(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CC1 ZINC000824237993 608355930 /nfs/dbraw/zinc/35/59/30/608355930.db2.gz XQFIBIDIIMFSCI-UHFFFAOYSA-N -1 1 388.476 1.699 20 0 GDADMM CC(C)CC1(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CC1 ZINC000824237993 608355931 /nfs/dbraw/zinc/35/59/31/608355931.db2.gz XQFIBIDIIMFSCI-UHFFFAOYSA-N -1 1 388.476 1.699 20 0 GDADMM c1ccc2[nH]c(CN3CCN(Cc4ccnc(-c5nn[n-]n5)c4)CC3)nc2c1 ZINC000826522833 608419537 /nfs/dbraw/zinc/41/95/37/608419537.db2.gz QHCZHIQHCAISPN-UHFFFAOYSA-N -1 1 375.440 1.456 20 0 GDADMM Brc1cccc(Cc2nnn(Cc3ccnc(-c4nnn[n-]4)c3)n2)c1 ZINC000823832345 608545234 /nfs/dbraw/zinc/54/52/34/608545234.db2.gz NAWJNGQMYZMOBM-UHFFFAOYSA-N -1 1 398.228 1.650 20 0 GDADMM Brc1cccc(Cc2nnn(Cc3ccnc(-c4nn[n-]n4)c3)n2)c1 ZINC000823832345 608545235 /nfs/dbraw/zinc/54/52/35/608545235.db2.gz NAWJNGQMYZMOBM-UHFFFAOYSA-N -1 1 398.228 1.650 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1c(F)cccc1F ZINC000825930394 608549282 /nfs/dbraw/zinc/54/92/82/608549282.db2.gz VPJHWGQBDCWEEN-UHFFFAOYSA-N -1 1 377.359 1.547 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1c(F)cccc1F ZINC000825930394 608549284 /nfs/dbraw/zinc/54/92/84/608549284.db2.gz VPJHWGQBDCWEEN-UHFFFAOYSA-N -1 1 377.359 1.547 20 0 GDADMM Cc1cc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)ccc1N(C)C ZINC000826269967 608549504 /nfs/dbraw/zinc/54/95/04/608549504.db2.gz FFGXDNJFEDYPSK-UHFFFAOYSA-N -1 1 398.475 1.643 20 0 GDADMM Cc1cc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)ccc1N(C)C ZINC000826269967 608549506 /nfs/dbraw/zinc/54/95/06/608549506.db2.gz FFGXDNJFEDYPSK-UHFFFAOYSA-N -1 1 398.475 1.643 20 0 GDADMM C[C@@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)n1cnc2ccccc21 ZINC000824040010 608557164 /nfs/dbraw/zinc/55/71/64/608557164.db2.gz KOHUDRNTXIRZPD-NSHDSACASA-N -1 1 394.443 1.174 20 0 GDADMM C[C@@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)n1cnc2ccccc21 ZINC000824040010 608557166 /nfs/dbraw/zinc/55/71/66/608557166.db2.gz KOHUDRNTXIRZPD-NSHDSACASA-N -1 1 394.443 1.174 20 0 GDADMM C[C@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)n1cnc2ccccc21 ZINC000824040009 608557447 /nfs/dbraw/zinc/55/74/47/608557447.db2.gz KOHUDRNTXIRZPD-LLVKDONJSA-N -1 1 394.443 1.174 20 0 GDADMM C[C@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)n1cnc2ccccc21 ZINC000824040009 608557449 /nfs/dbraw/zinc/55/74/49/608557449.db2.gz KOHUDRNTXIRZPD-LLVKDONJSA-N -1 1 394.443 1.174 20 0 GDADMM Cc1noc(Cl)c1CCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826340368 608557654 /nfs/dbraw/zinc/55/76/54/608557654.db2.gz VPSXNZGGCKNGOP-UHFFFAOYSA-N -1 1 393.839 1.146 20 0 GDADMM Cc1noc(Cl)c1CCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826340368 608557655 /nfs/dbraw/zinc/55/76/55/608557655.db2.gz VPSXNZGGCKNGOP-UHFFFAOYSA-N -1 1 393.839 1.146 20 0 GDADMM CC[C@H](Oc1cccc(C)c1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825154062 608557845 /nfs/dbraw/zinc/55/78/45/608557845.db2.gz LBEKAWSFQISNJC-HNNXBMFYSA-N -1 1 398.471 1.729 20 0 GDADMM CC[C@H](Oc1cccc(C)c1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825154062 608557846 /nfs/dbraw/zinc/55/78/46/608557846.db2.gz LBEKAWSFQISNJC-HNNXBMFYSA-N -1 1 398.471 1.729 20 0 GDADMM Cc1ccc(/C=C\CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000826285623 608558498 /nfs/dbraw/zinc/55/84/98/608558498.db2.gz FDRHEQJJDSBUDB-HYXAFXHYSA-N -1 1 380.456 1.975 20 0 GDADMM Cc1ccc(/C=C\CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000826285623 608558499 /nfs/dbraw/zinc/55/84/99/608558499.db2.gz FDRHEQJJDSBUDB-HYXAFXHYSA-N -1 1 380.456 1.975 20 0 GDADMM CCc1nc(C)c(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)s1 ZINC000825746499 608559028 /nfs/dbraw/zinc/55/90/28/608559028.db2.gz XERHGWDEYGSULD-UHFFFAOYSA-N -1 1 375.462 1.204 20 0 GDADMM CCc1nc(C)c(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)s1 ZINC000825746499 608559031 /nfs/dbraw/zinc/55/90/31/608559031.db2.gz XERHGWDEYGSULD-UHFFFAOYSA-N -1 1 375.462 1.204 20 0 GDADMM COc1ccc(CN2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)cc1O ZINC000826195482 608590494 /nfs/dbraw/zinc/59/04/94/608590494.db2.gz WBWLXIPSHNDUGY-UHFFFAOYSA-N -1 1 397.439 1.769 20 0 GDADMM CCOC(=O)c1ccc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)o1 ZINC000825560072 608839945 /nfs/dbraw/zinc/83/99/45/608839945.db2.gz NYAMPKRKGMUCHH-GFCCVEGCSA-N -1 1 398.427 1.137 20 0 GDADMM CCOC(=O)c1ccc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)o1 ZINC000825560072 608839947 /nfs/dbraw/zinc/83/99/47/608839947.db2.gz NYAMPKRKGMUCHH-GFCCVEGCSA-N -1 1 398.427 1.137 20 0 GDADMM COC(=O)[C@@H](OC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)C1CC1 ZINC000826116990 608847009 /nfs/dbraw/zinc/84/70/09/608847009.db2.gz GIFPAKJIYMTXKM-AWEZNQCLSA-N -1 1 375.385 1.012 20 0 GDADMM CCOCc1cccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000825605301 609156306 /nfs/dbraw/zinc/15/63/06/609156306.db2.gz UMHWOAOPPGVKKM-UHFFFAOYSA-N -1 1 399.459 1.805 20 0 GDADMM CCOCc1cccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000825605301 609156307 /nfs/dbraw/zinc/15/63/07/609156307.db2.gz UMHWOAOPPGVKKM-UHFFFAOYSA-N -1 1 399.459 1.805 20 0 GDADMM CC[C@H](C)Oc1cc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)ccn1 ZINC000825075596 609181774 /nfs/dbraw/zinc/18/17/74/609181774.db2.gz QLDOQAIXAIUVNN-NSHDSACASA-N -1 1 389.441 1.313 20 0 GDADMM CC[C@H](C)Oc1cc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)ccn1 ZINC000825075596 609181775 /nfs/dbraw/zinc/18/17/75/609181775.db2.gz QLDOQAIXAIUVNN-NSHDSACASA-N -1 1 389.441 1.313 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1cnc2n1CCCC2 ZINC000826458742 609289986 /nfs/dbraw/zinc/28/99/86/609289986.db2.gz DJLAKLASYMZWDI-UHFFFAOYSA-N -1 1 393.386 1.977 20 0 GDADMM CCOCCO[C@@H](C)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825599665 609292576 /nfs/dbraw/zinc/29/25/76/609292576.db2.gz OQJKQFKDTHVKAQ-NSHDSACASA-N -1 1 389.391 1.572 20 0 GDADMM C[C@H](CCc1ccco1)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824413589 609298414 /nfs/dbraw/zinc/29/84/14/609298414.db2.gz NPUFDJYVYKNULG-LLVKDONJSA-N -1 1 387.448 1.360 20 0 GDADMM C[C@H](CCc1ccco1)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824413589 609298416 /nfs/dbraw/zinc/29/84/16/609298416.db2.gz NPUFDJYVYKNULG-LLVKDONJSA-N -1 1 387.448 1.360 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCc1ccc(F)c(F)c1 ZINC000825929263 609300251 /nfs/dbraw/zinc/30/02/51/609300251.db2.gz DUEXEUJLWDSHNF-UHFFFAOYSA-N -1 1 391.386 1.224 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCc1ccc(F)c(F)c1 ZINC000825929263 609300252 /nfs/dbraw/zinc/30/02/52/609300252.db2.gz DUEXEUJLWDSHNF-UHFFFAOYSA-N -1 1 391.386 1.224 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@@H]1CCc2cc(F)ccc21 ZINC000825930338 609301037 /nfs/dbraw/zinc/30/10/37/609301037.db2.gz TXNPKCSAFPFXJB-CYBMUJFWSA-N -1 1 399.434 1.573 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@@H]1CCc2cc(F)ccc21 ZINC000825930338 609301038 /nfs/dbraw/zinc/30/10/38/609301038.db2.gz TXNPKCSAFPFXJB-CYBMUJFWSA-N -1 1 399.434 1.573 20 0 GDADMM C[C@H](CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccccc1 ZINC000824400180 609301241 /nfs/dbraw/zinc/30/12/41/609301241.db2.gz BQBVKKVGYVLSGG-CYBMUJFWSA-N -1 1 397.487 1.940 20 0 GDADMM C[C@H](CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccccc1 ZINC000824400180 609301243 /nfs/dbraw/zinc/30/12/43/609301243.db2.gz BQBVKKVGYVLSGG-CYBMUJFWSA-N -1 1 397.487 1.940 20 0 GDADMM COC[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccccc1 ZINC000826151370 609302648 /nfs/dbraw/zinc/30/26/48/609302648.db2.gz ZTEVQOGPBFSZJZ-AWEZNQCLSA-N -1 1 399.459 1.134 20 0 GDADMM COC[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccccc1 ZINC000826151370 609302650 /nfs/dbraw/zinc/30/26/50/609302650.db2.gz ZTEVQOGPBFSZJZ-AWEZNQCLSA-N -1 1 399.459 1.134 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@H]1CSc2ccccc21 ZINC000825930745 609302849 /nfs/dbraw/zinc/30/28/49/609302849.db2.gz XVTRFFZXGXDHKX-LBPRGKRZSA-N -1 1 399.484 1.593 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@H]1CSc2ccccc21 ZINC000825930745 609302851 /nfs/dbraw/zinc/30/28/51/609302851.db2.gz XVTRFFZXGXDHKX-LBPRGKRZSA-N -1 1 399.484 1.593 20 0 GDADMM Cc1noc(C)c1[C@H](C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826338659 609303430 /nfs/dbraw/zinc/30/34/30/609303430.db2.gz CSGVCGBRNBHWKC-QMMMGPOBSA-N -1 1 388.436 1.112 20 0 GDADMM Cc1noc(C)c1[C@H](C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826338659 609303431 /nfs/dbraw/zinc/30/34/31/609303431.db2.gz CSGVCGBRNBHWKC-QMMMGPOBSA-N -1 1 388.436 1.112 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@H]1CCCCC1(C)C ZINC000825930140 609308058 /nfs/dbraw/zinc/30/80/58/609308058.db2.gz QFDMINDAEVRGIL-LBPRGKRZSA-N -1 1 375.481 1.715 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@H]1CCCCC1(C)C ZINC000825930140 609308060 /nfs/dbraw/zinc/30/80/60/609308060.db2.gz QFDMINDAEVRGIL-LBPRGKRZSA-N -1 1 375.481 1.715 20 0 GDADMM CCNC(=O)CCCC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825470372 609312943 /nfs/dbraw/zinc/31/29/43/609312943.db2.gz CGXXKSXSFCKTTP-UHFFFAOYSA-N -1 1 386.391 1.436 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C(=O)Nc1ccccc1 ZINC000826457372 609313715 /nfs/dbraw/zinc/31/37/15/609313715.db2.gz YFPWZGAYHCJXDC-UHFFFAOYSA-N -1 1 392.354 1.769 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCC(n2ccnn2)CC1 ZINC000826495040 609330215 /nfs/dbraw/zinc/33/02/15/609330215.db2.gz AJRAUWGMFLWNRD-UHFFFAOYSA-N -1 1 394.848 1.137 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCC(n2ccnn2)CC1 ZINC000826495040 609330217 /nfs/dbraw/zinc/33/02/17/609330217.db2.gz AJRAUWGMFLWNRD-UHFFFAOYSA-N -1 1 394.848 1.137 20 0 GDADMM C[C@](CO)(NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C1CC1 ZINC000824436769 609355137 /nfs/dbraw/zinc/35/51/37/609355137.db2.gz UUXFTWOOCMZYBU-QGZVFWFLSA-N -1 1 386.391 1.474 20 0 GDADMM C[C@H]1OCCN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)[C@@H]1C ZINC000825020915 609360684 /nfs/dbraw/zinc/36/06/84/609360684.db2.gz NKRBGUIDZFIMLI-GHMZBOCLSA-N -1 1 386.391 1.833 20 0 GDADMM Cc1nccc(CNC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)n1 ZINC000826330343 609361922 /nfs/dbraw/zinc/36/19/22/609361922.db2.gz PTTHPCWWYSAQBM-UHFFFAOYSA-N -1 1 394.374 1.612 20 0 GDADMM CC[C@@H]1CCCN1C(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825205787 609365869 /nfs/dbraw/zinc/36/58/69/609365869.db2.gz XOKWUDPWJBDPCJ-LLVKDONJSA-N -1 1 398.402 1.531 20 0 GDADMM CCC[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825252187 609368086 /nfs/dbraw/zinc/36/80/86/609368086.db2.gz HEBHSBUHGMGVDQ-CMPLNLGQSA-N -1 1 398.402 1.435 20 0 GDADMM CCc1cc(N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)nc(C)n1 ZINC000825700868 609436715 /nfs/dbraw/zinc/43/67/15/609436715.db2.gz XBTFNDDSHCHMDV-UHFFFAOYSA-N -1 1 381.444 1.720 20 0 GDADMM COC[C@](C)(NCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)C(F)(F)F ZINC000826148486 609441935 /nfs/dbraw/zinc/44/19/35/609441935.db2.gz KDBLMCGKWFGLEW-ZDUSSCGKSA-N -1 1 376.339 1.572 20 0 GDADMM NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCO2 ZINC000534616096 650226700 /nfs/dbraw/zinc/22/67/00/650226700.db2.gz FHGRYNLXNLSMCL-UHFFFAOYSA-N -1 1 390.826 1.517 20 0 GDADMM COC(=O)[C@]1([N-]S(=O)(=O)Cc2cc(Cl)ccc2OC)CCSC1 ZINC000534651234 650227862 /nfs/dbraw/zinc/22/78/62/650227862.db2.gz AJGQHBVMMWJQKO-AWEZNQCLSA-N -1 1 379.887 1.817 20 0 GDADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCCOCC2)c(OC)c1 ZINC000534880410 650233708 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CN(C)[C@H](C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])c1cccc(Cl)c1 ZINC000540805475 650370608 /nfs/dbraw/zinc/37/06/08/650370608.db2.gz JVRRIDUVELCZDS-HNNXBMFYSA-N -1 1 383.857 1.934 20 0 GDADMM CCOC(=O)[C@@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000545350722 650454646 /nfs/dbraw/zinc/45/46/46/650454646.db2.gz AYDDXOONCSWRPK-LSDHHAIUSA-N -1 1 375.874 1.913 20 0 GDADMM C[C@H](CCc1ccc(Br)cc1)NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000546038766 650468309 /nfs/dbraw/zinc/46/83/09/650468309.db2.gz MWHRRFDOXXXGDE-SNVBAGLBSA-N -1 1 390.241 1.931 20 0 GDADMM C[C@@H](CO[C@H]1CCOC1)NC(=O)c1ccc(I)c([O-])c1 ZINC000546165514 650473241 /nfs/dbraw/zinc/47/32/41/650473241.db2.gz BNMSYPZVHWJZEI-ONGXEEELSA-N -1 1 391.205 1.921 20 0 GDADMM COC(=O)[C@H](C[N-]S(=O)(=O)c1ccc(Br)o1)C1CCOCC1 ZINC000546763746 650485212 /nfs/dbraw/zinc/48/52/12/650485212.db2.gz ASDXRXXHFXDNDP-SNVBAGLBSA-N -1 1 396.259 1.536 20 0 GDADMM CCOC(=O)[C@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)[C@@H]1CCO[C@H]1C ZINC000546767803 650485426 /nfs/dbraw/zinc/48/54/26/650485426.db2.gz WTJPZEVEBOBPTG-TUKIKUTGSA-N -1 1 375.874 1.911 20 0 GDADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(-c2nc([C@@H]3CCS(=O)(=O)C3)no2)o1 ZINC000547112762 650491899 /nfs/dbraw/zinc/49/18/99/650491899.db2.gz FSGIIXXWVQOMQI-SECBINFHSA-N -1 1 389.455 1.309 20 0 GDADMM O=C([O-])[C@H](Cc1cnc[nH]1)NS(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000547544194 650500005 /nfs/dbraw/zinc/50/00/05/650500005.db2.gz GFYGSJQPYFRRTE-LBPRGKRZSA-N -1 1 377.344 1.544 20 0 GDADMM Cc1ccc(Cl)c(S(=O)(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c1Cl ZINC000547553883 650501598 /nfs/dbraw/zinc/50/15/98/650501598.db2.gz OWXJLEVITKKZQD-JTQLQIEISA-N -1 1 378.237 1.999 20 0 GDADMM Cc1cc(Br)c2c(c1)CN(C(=O)c1cc(=O)n3[n-]cnc3n1)CC2 ZINC000548309297 650542739 /nfs/dbraw/zinc/54/27/39/650542739.db2.gz VLWBDOVWAXQPHY-UHFFFAOYSA-N -1 1 388.225 1.687 20 0 GDADMM CCOC(=O)c1ccc(S(=O)(=O)NCC[C@@H](CC(=O)[O-])C(F)(F)F)o1 ZINC000551916041 650615518 /nfs/dbraw/zinc/61/55/18/650615518.db2.gz PUCRIMPQPRVAOH-QMMMGPOBSA-N -1 1 387.332 1.778 20 0 GDADMM CN1C(=O)C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1=O ZINC000553874725 650662165 /nfs/dbraw/zinc/66/21/65/650662165.db2.gz IUCJACATDYIAIA-MRVPVSSYSA-N -1 1 399.625 1.277 20 0 GDADMM Cn1cc(S(=O)(=O)[N-]CC2(O)Cc3ccccc3C2)c(C(F)(F)F)n1 ZINC000555319159 650688987 /nfs/dbraw/zinc/68/89/87/650688987.db2.gz OIMBMTOBPLXRKS-UHFFFAOYSA-N -1 1 375.372 1.247 20 0 GDADMM O=C(NC[C@@H](O)[C@@H]1CCOC1)c1c([O-])cnc2c(Br)cccc21 ZINC000555037205 650684700 /nfs/dbraw/zinc/68/47/00/650684700.db2.gz SJXCEBQNQOZWOH-BXKDBHETSA-N -1 1 381.226 1.830 20 0 GDADMM O=C(NC[C@H](O)[C@H]1CCOC1)c1c([O-])cnc2c(Br)cccc21 ZINC000555037207 650684740 /nfs/dbraw/zinc/68/47/40/650684740.db2.gz SJXCEBQNQOZWOH-CABZTGNLSA-N -1 1 381.226 1.830 20 0 GDADMM COC(=O)c1cncc(S(=O)(=O)[N-][C@@H](c2nccs2)C(F)(F)F)c1 ZINC000555412704 650690441 /nfs/dbraw/zinc/69/04/41/650690441.db2.gz IUEMBTKPIXNTDS-VIFPVBQESA-N -1 1 381.357 1.907 20 0 GDADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](COC)C(C)C)c(F)c1 ZINC000556289132 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ZINC001571261830 945431226 /nfs/dbraw/zinc/43/12/26/945431226.db2.gz JTLOTMGEHXCPBO-QWRGUYRKSA-N -1 1 385.457 1.030 20 0 GDADMM Cc1nsc(C)c1C(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571261891 945433063 /nfs/dbraw/zinc/43/30/63/945433063.db2.gz LTEJSSKFIAUEPN-LLVKDONJSA-N -1 1 385.457 1.047 20 0 GDADMM Cc1nsc(C)c1C(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571261891 945433068 /nfs/dbraw/zinc/43/30/68/945433068.db2.gz LTEJSSKFIAUEPN-LLVKDONJSA-N -1 1 385.457 1.047 20 0 GDADMM CCc1ncc(C(=O)N2C[C@@H](C)[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)s1 ZINC001571262548 945439255 /nfs/dbraw/zinc/43/92/55/945439255.db2.gz ULVALMHMGVDVQO-ZJUUUORDSA-N -1 1 385.457 1.248 20 0 GDADMM CCc1ncc(C(=O)N2C[C@@H](C)[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)s1 ZINC001571262548 945439263 /nfs/dbraw/zinc/43/92/63/945439263.db2.gz ULVALMHMGVDVQO-ZJUUUORDSA-N -1 1 385.457 1.248 20 0 GDADMM CC(C)c1nc(C(=O)N2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)cs1 ZINC001571262798 945442374 /nfs/dbraw/zinc/44/23/74/945442374.db2.gz YLCUKXRVGCBXES-UHFFFAOYSA-N -1 1 385.457 1.199 20 0 GDADMM Cc1nsc(C)c1C(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571262897 945446399 /nfs/dbraw/zinc/44/63/99/945446399.db2.gz BMKQWCMJJJMTGV-LLVKDONJSA-N -1 1 385.457 1.365 20 0 GDADMM Cc1nsc(C)c1C(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571262897 945446405 /nfs/dbraw/zinc/44/64/05/945446405.db2.gz BMKQWCMJJJMTGV-LLVKDONJSA-N -1 1 385.457 1.365 20 0 GDADMM Cc1nsc(C)c1C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)[C@H]1C ZINC001571263015 945448272 /nfs/dbraw/zinc/44/82/72/945448272.db2.gz FSBDXTOSHKWLEI-MWLCHTKSSA-N -1 1 385.457 1.445 20 0 GDADMM Cc1nsc(C)c1C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)[C@H]1C ZINC001571263015 945448275 /nfs/dbraw/zinc/44/82/75/945448275.db2.gz FSBDXTOSHKWLEI-MWLCHTKSSA-N -1 1 385.457 1.445 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)CC1)c1ccns1 ZINC001571263446 945459086 /nfs/dbraw/zinc/45/90/86/945459086.db2.gz QIGWLXAYIQTCAN-XYPYZODXSA-N -1 1 385.457 1.514 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)CC1)c1ccns1 ZINC001571263446 945459092 /nfs/dbraw/zinc/45/90/92/945459092.db2.gz QIGWLXAYIQTCAN-XYPYZODXSA-N -1 1 385.457 1.514 20 0 GDADMM Cc1nsc(N(C)[C@@H]2CCN(C(=O)c3ccnnc3C)C2)c1-c1nn[n-]n1 ZINC001571263856 945469613 /nfs/dbraw/zinc/46/96/13/945469613.db2.gz YMEPZFLAVBSZAP-LLVKDONJSA-N -1 1 385.457 1.081 20 0 GDADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)c2ccncc2Cl)C1 ZINC001571265118 945500319 /nfs/dbraw/zinc/50/03/19/945500319.db2.gz DGNGCPVEDKCNBA-JTQLQIEISA-N -1 1 385.819 1.056 20 0 GDADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)c2ccncc2Cl)C1 ZINC001571265118 945500326 /nfs/dbraw/zinc/50/03/26/945500326.db2.gz DGNGCPVEDKCNBA-JTQLQIEISA-N -1 1 385.819 1.056 20 0 GDADMM CC[C@H](OC)C(=O)N1CC[C@H](N(C)c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571266113 945530735 /nfs/dbraw/zinc/53/07/35/945530735.db2.gz WKQNPBOXRNNTLH-IUCAKERBSA-N -1 1 385.881 1.439 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)c3c(F)cccc3F)C2)n1 ZINC001571266955 945556754 /nfs/dbraw/zinc/55/67/54/945556754.db2.gz DDCWUVNLTQHIAH-SNVBAGLBSA-N -1 1 386.366 1.570 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)c3c(F)cccc3F)C2)n1 ZINC001571266955 945556762 /nfs/dbraw/zinc/55/67/62/945556762.db2.gz DDCWUVNLTQHIAH-SNVBAGLBSA-N -1 1 386.366 1.570 20 0 GDADMM C[C@@H]1CN(C(=O)c2c(F)cccc2F)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571266992 945558601 /nfs/dbraw/zinc/55/86/01/945558601.db2.gz FSLOPRYSHGLPAQ-BXKDBHETSA-N -1 1 386.366 1.508 20 0 GDADMM C[C@@H]1CN(C(=O)c2c(F)cccc2F)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571266992 945558609 /nfs/dbraw/zinc/55/86/09/945558609.db2.gz FSLOPRYSHGLPAQ-BXKDBHETSA-N -1 1 386.366 1.508 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@@H]1CCCCN1C(=O)c1n[nH]cc1F ZINC001571268789 945604020 /nfs/dbraw/zinc/60/40/20/945604020.db2.gz XFNCBRJOHMUEAP-KOLCDFICSA-N -1 1 386.395 1.014 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@@H]1CCCCN1C(=O)c1n[nH]cc1F ZINC001571268789 945604024 /nfs/dbraw/zinc/60/40/24/945604024.db2.gz XFNCBRJOHMUEAP-KOLCDFICSA-N -1 1 386.395 1.014 20 0 GDADMM O=C(NC1CC2(C1)CC(Nc1cnc(-c3nnn[n-]3)cn1)C2)[C@@H]1CC[C@H](F)C1 ZINC001571269035 945610056 /nfs/dbraw/zinc/61/00/56/945610056.db2.gz MWHCHLBNRDFFGF-KHLXKGCPSA-N -1 1 386.435 1.634 20 0 GDADMM O=C(NC1CC2(C1)CC(Nc1cnc(-c3nn[n-]n3)cn1)C2)[C@@H]1CC[C@H](F)C1 ZINC001571269035 945610061 /nfs/dbraw/zinc/61/00/61/945610061.db2.gz MWHCHLBNRDFFGF-KHLXKGCPSA-N -1 1 386.435 1.634 20 0 GDADMM O=C([C@@H]1CCC[C@H](F)C1)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571269114 945611632 /nfs/dbraw/zinc/61/16/32/945611632.db2.gz PDRVPOGDMRLVTD-RQJABVFESA-N -1 1 386.435 1.365 20 0 GDADMM O=C([C@@H]1CCC[C@H](F)C1)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571269114 945611637 /nfs/dbraw/zinc/61/16/37/945611637.db2.gz PDRVPOGDMRLVTD-RQJABVFESA-N -1 1 386.435 1.365 20 0 GDADMM CCCn1ncc(C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)c1C ZINC001571271725 945648391 /nfs/dbraw/zinc/64/83/91/945648391.db2.gz IBXMAGTZGNXAAN-UHFFFAOYSA-N -1 1 386.485 1.457 20 0 GDADMM Cc1c[nH]cc1C(=O)NCC1CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001571271835 945652862 /nfs/dbraw/zinc/65/28/62/945652862.db2.gz KUIKABXUQWNDNX-UHFFFAOYSA-N -1 1 386.485 1.915 20 0 GDADMM O=C(CCC1CCC1)N1CCCO[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571272386 945661242 /nfs/dbraw/zinc/66/12/42/945661242.db2.gz CLOXVAAVSJGFHH-CQSZACIVSA-N -1 1 386.460 1.266 20 0 GDADMM O=C(CCC1CCC1)N1CCCO[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571272386 945661248 /nfs/dbraw/zinc/66/12/48/945661248.db2.gz CLOXVAAVSJGFHH-CQSZACIVSA-N -1 1 386.460 1.266 20 0 GDADMM CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571272591 945665672 /nfs/dbraw/zinc/66/56/72/945665672.db2.gz FRLNCHMUAKDVDX-BHPKHCPMSA-N -1 1 386.460 1.311 20 0 GDADMM CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571272591 945665679 /nfs/dbraw/zinc/66/56/79/945665679.db2.gz FRLNCHMUAKDVDX-BHPKHCPMSA-N -1 1 386.460 1.311 20 0 GDADMM O=C(C[C@H]1CCOC1)N[C@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001571272606 945667649 /nfs/dbraw/zinc/66/76/49/945667649.db2.gz FXNATQFZTAYWMO-MGPQQGTHSA-N -1 1 386.460 1.170 20 0 GDADMM O=C(C[C@H]1CCOC1)N[C@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001571272606 945667652 /nfs/dbraw/zinc/66/76/52/945667652.db2.gz FXNATQFZTAYWMO-MGPQQGTHSA-N -1 1 386.460 1.170 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCC[C@H]2NC(=O)[C@]2(C)CCOC2)n1 ZINC001571273071 945677347 /nfs/dbraw/zinc/67/73/47/945677347.db2.gz OLNBNJVVQFVLSX-SNUQEOBHSA-N -1 1 386.460 1.231 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCC[C@H]2NC(=O)[C@]2(C)CCOC2)n1 ZINC001571273071 945677351 /nfs/dbraw/zinc/67/73/51/945677351.db2.gz OLNBNJVVQFVLSX-SNUQEOBHSA-N -1 1 386.460 1.231 20 0 GDADMM O=C(COC1CCCCC1)N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571273151 945679314 /nfs/dbraw/zinc/67/93/14/945679314.db2.gz QNBXDUABYLFSPC-UHFFFAOYSA-N -1 1 386.460 1.409 20 0 GDADMM O=C(COC1CCCCC1)N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571273151 945679319 /nfs/dbraw/zinc/67/93/19/945679319.db2.gz QNBXDUABYLFSPC-UHFFFAOYSA-N -1 1 386.460 1.409 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCN(C(=O)CC[C@H]3CCOC3)C2)n1 ZINC001571273269 945684501 /nfs/dbraw/zinc/68/45/01/945684501.db2.gz UJCXRWXCUMLESF-UONOGXRCSA-N -1 1 386.460 1.185 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCN(C(=O)CC[C@H]3CCOC3)C2)n1 ZINC001571273269 945684507 /nfs/dbraw/zinc/68/45/07/945684507.db2.gz UJCXRWXCUMLESF-UONOGXRCSA-N -1 1 386.460 1.185 20 0 GDADMM CN(C(=O)[C@@H]1CCCOC1)C1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571273316 945684637 /nfs/dbraw/zinc/68/46/37/945684637.db2.gz VJSUIRDUEXSFIV-IYXRBSQSSA-N -1 1 386.460 1.265 20 0 GDADMM CN(C(=O)[C@@H]1CCCOC1)C1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571273316 945684643 /nfs/dbraw/zinc/68/46/43/945684643.db2.gz VJSUIRDUEXSFIV-IYXRBSQSSA-N -1 1 386.460 1.265 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@]2(C)CCN(C(=O)[C@@H]3CCCOC3)C2)n1 ZINC001571273536 945691010 /nfs/dbraw/zinc/69/10/10/945691010.db2.gz ZIJJEJROESOAET-FZKQIMNGSA-N -1 1 386.460 1.042 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@]2(C)CCN(C(=O)[C@@H]3CCCOC3)C2)n1 ZINC001571273536 945691016 /nfs/dbraw/zinc/69/10/16/945691016.db2.gz ZIJJEJROESOAET-FZKQIMNGSA-N -1 1 386.460 1.042 20 0 GDADMM CC1(C)CN(C(=O)CC[C@@H]2CCCO2)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571275877 945719117 /nfs/dbraw/zinc/71/91/17/945719117.db2.gz DWISDRJUDMDUFI-JSGCOSHPSA-N -1 1 386.460 1.265 20 0 GDADMM CC1(C)CN(C(=O)CC[C@@H]2CCCO2)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571275877 945719122 /nfs/dbraw/zinc/71/91/22/945719122.db2.gz DWISDRJUDMDUFI-JSGCOSHPSA-N -1 1 386.460 1.265 20 0 GDADMM CC[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571276564 945732236 /nfs/dbraw/zinc/73/22/36/945732236.db2.gz IPSYUUUBCNDMBR-VLXAULBPSA-N -1 1 386.460 1.169 20 0 GDADMM CC[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571276564 945732244 /nfs/dbraw/zinc/73/22/44/945732244.db2.gz IPSYUUUBCNDMBR-VLXAULBPSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@H]1COCC[C@H]1C(=O)N1CCC(C)(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571279992 945793714 /nfs/dbraw/zinc/79/37/14/945793714.db2.gz YRUUDWXIGBOTMP-QWHCGFSZSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H]1COCC[C@H]1C(=O)N1CCC(C)(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571279992 945793719 /nfs/dbraw/zinc/79/37/19/945793719.db2.gz YRUUDWXIGBOTMP-QWHCGFSZSA-N -1 1 386.460 1.122 20 0 GDADMM CCn1cnc(C(=O)NC[C@H]2C[C@H](Nc3snc(C)c3-c3nn[n-]n3)C2)c1 ZINC001571281155 945797336 /nfs/dbraw/zinc/79/73/36/945797336.db2.gz DKAKPULSGAYBDP-XYPYZODXSA-N -1 1 387.473 1.469 20 0 GDADMM COc1cc(C)c(CN(C)C(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1OC ZINC000821708480 945842614 /nfs/dbraw/zinc/84/26/14/945842614.db2.gz QSBLDLCNYPHONZ-UHFFFAOYSA-N -1 1 386.416 1.590 20 0 GDADMM COc1cc(C)c(CN(C)C(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1OC ZINC000821708480 945842619 /nfs/dbraw/zinc/84/26/19/945842619.db2.gz QSBLDLCNYPHONZ-UHFFFAOYSA-N -1 1 386.416 1.590 20 0 GDADMM COC(=O)C[C@H](NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1)c1ccncc1 ZINC001571285371 945915548 /nfs/dbraw/zinc/91/55/48/945915548.db2.gz CBQYVAGUAFHTKG-ZDUSSCGKSA-N -1 1 388.334 1.574 20 0 GDADMM COC(=O)C[C@H](NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1)c1ccncc1 ZINC001571285371 945915550 /nfs/dbraw/zinc/91/55/50/945915550.db2.gz CBQYVAGUAFHTKG-ZDUSSCGKSA-N -1 1 388.334 1.574 20 0 GDADMM O=C(N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1)c1cc(Cl)c[nH]1 ZINC001571286124 945936818 /nfs/dbraw/zinc/93/68/18/945936818.db2.gz YPYGQYQKGCVJNW-LLVKDONJSA-N -1 1 387.835 1.427 20 0 GDADMM O=C(N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1)c1cc(Cl)c[nH]1 ZINC001571286124 945936823 /nfs/dbraw/zinc/93/68/23/945936823.db2.gz YPYGQYQKGCVJNW-LLVKDONJSA-N -1 1 387.835 1.427 20 0 GDADMM Cc1nsc(N2CC[C@H](NC(=O)Cc3ccon3)C[C@@H]2C)c1-c1nn[n-]n1 ZINC001571289406 946004588 /nfs/dbraw/zinc/00/45/88/946004588.db2.gz BWHVCEYXFLZRBP-ONGXEEELSA-N -1 1 388.457 1.336 20 0 GDADMM Cc1nsc(N[C@@H]2CN(C(=O)CCc3ccon3)C[C@@H]2C)c1-c1nn[n-]n1 ZINC001571289538 946008545 /nfs/dbraw/zinc/00/85/45/946008545.db2.gz HBJVLAUAWNISPY-JOYOIKCWSA-N -1 1 388.457 1.511 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC3(CCN(C(=O)C(C)(C)F)C3)CC2)n1 ZINC001571289806 946018585 /nfs/dbraw/zinc/01/85/85/946018585.db2.gz MYTWZPVFIGQILN-UHFFFAOYSA-N -1 1 388.451 1.532 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC3(CCN(C(=O)C(C)(C)F)C3)CC2)n1 ZINC001571289806 946018597 /nfs/dbraw/zinc/01/85/97/946018597.db2.gz MYTWZPVFIGQILN-UHFFFAOYSA-N -1 1 388.451 1.532 20 0 GDADMM CN(C(=O)[C@@H]1CCC[C@H](F)C1)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571289920 946023611 /nfs/dbraw/zinc/02/36/11/946023611.db2.gz PTCFNZNMQYRDGJ-OLZOCXBDSA-N -1 1 388.451 1.612 20 0 GDADMM CN(C(=O)[C@@H]1CCC[C@H](F)C1)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571289920 946023620 /nfs/dbraw/zinc/02/36/20/946023620.db2.gz PTCFNZNMQYRDGJ-OLZOCXBDSA-N -1 1 388.451 1.612 20 0 GDADMM Cc1nsc(N2CC[C@H](NC(=O)c3ncoc3C)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571290058 946029706 /nfs/dbraw/zinc/02/97/06/946029706.db2.gz UEPKWPMBRXPHDC-KCJUWKMLSA-N -1 1 388.457 1.715 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)c1ccc(Cl)o1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571290728 946054575 /nfs/dbraw/zinc/05/45/75/946054575.db2.gz NILXVHKUUKFHCB-SNVBAGLBSA-N -1 1 388.819 1.644 20 0 GDADMM O=C(c1ccoc1Cl)N1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571291038 946064644 /nfs/dbraw/zinc/06/46/44/946064644.db2.gz YPXXNHQERHCMQA-SNVBAGLBSA-N -1 1 388.819 1.432 20 0 GDADMM Cc1cc(F)cc(-c2nn[n-]n2)c1S(=O)(=O)N[C@H]1COc2ccccc2C1 ZINC001571291440 946079294 /nfs/dbraw/zinc/07/92/94/946079294.db2.gz KFGUUGUDUJENEW-CYBMUJFWSA-N -1 1 389.412 1.596 20 0 GDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ccc(F)cc1-c1nn[nH]n1 ZINC000822458604 946094622 /nfs/dbraw/zinc/09/46/22/946094622.db2.gz FNOSUUKCTYIVQO-UHFFFAOYSA-N -1 1 382.359 1.552 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCCCC(F)(F)F ZINC000822459856 946097663 /nfs/dbraw/zinc/09/76/63/946097663.db2.gz ZGPWVQUTDFNTQH-UHFFFAOYSA-N -1 1 396.377 1.918 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCCCC(F)(F)F ZINC000822459856 946097673 /nfs/dbraw/zinc/09/76/73/946097673.db2.gz ZGPWVQUTDFNTQH-UHFFFAOYSA-N -1 1 396.377 1.918 20 0 GDADMM COc1ccc(C(=O)N2CC[C@H](CNc3snc(C)c3-c3nn[n-]n3)C2)o1 ZINC001571293282 946101678 /nfs/dbraw/zinc/10/16/78/946101678.db2.gz DFMIEMNPZZGOHM-SNVBAGLBSA-N -1 1 389.441 1.807 20 0 GDADMM Cc1nn(C)c(C)c1-c1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)n[nH]1 ZINC000822487048 946103664 /nfs/dbraw/zinc/10/36/64/946103664.db2.gz ZCSSKUOXXGIVFO-UHFFFAOYSA-N -1 1 379.384 1.359 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC[C@H](CC(N)=O)C1 ZINC000822535092 946116037 /nfs/dbraw/zinc/11/60/37/946116037.db2.gz GNEMMZZDVJFCBL-GFCCVEGCSA-N -1 1 383.412 1.286 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC[C@H](CC(N)=O)C1 ZINC000822535092 946116045 /nfs/dbraw/zinc/11/60/45/946116045.db2.gz GNEMMZZDVJFCBL-GFCCVEGCSA-N -1 1 383.412 1.286 20 0 GDADMM Cc1oc(NC(=O)COC(=O)c2cccc3c[nH]nc32)c(-c2nn[n-]n2)c1C ZINC000822548834 946121395 /nfs/dbraw/zinc/12/13/95/946121395.db2.gz OWWDWLJLBZTHNY-UHFFFAOYSA-N -1 1 381.352 1.748 20 0 GDADMM CCOc1cc(C(=O)NC[C@H]2CCN2Cc2ccc(-c3nn[n-]n3)s2)on1 ZINC001571294019 946123182 /nfs/dbraw/zinc/12/31/82/946123182.db2.gz YMDGIPAKMRBIET-SNVBAGLBSA-N -1 1 389.441 1.319 20 0 GDADMM O=C(c1cc(C(F)F)n[nH]1)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571294397 946134300 /nfs/dbraw/zinc/13/43/00/946134300.db2.gz DQIGVSSAOVLTRG-MRVPVSSYSA-N -1 1 390.358 1.034 20 0 GDADMM O=C(c1cc(C(F)F)n[nH]1)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571294397 946134305 /nfs/dbraw/zinc/13/43/05/946134305.db2.gz DQIGVSSAOVLTRG-MRVPVSSYSA-N -1 1 390.358 1.034 20 0 GDADMM O=C([C@H]1CCC(F)(F)C1)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001571294610 946138006 /nfs/dbraw/zinc/13/80/06/946138006.db2.gz KCTLGQVCPLAEFS-GMXVVIOVSA-N -1 1 390.398 1.129 20 0 GDADMM O=C([C@H]1CCC(F)(F)C1)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001571294610 946138013 /nfs/dbraw/zinc/13/80/13/946138013.db2.gz KCTLGQVCPLAEFS-GMXVVIOVSA-N -1 1 390.398 1.129 20 0 GDADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@@H](C)COc1ccc(F)cc1F ZINC001571294569 946139265 /nfs/dbraw/zinc/13/92/65/946139265.db2.gz JLVRPXLCVQWXJQ-VIFPVBQESA-N -1 1 390.350 1.751 20 0 GDADMM Cc1nsc(NC[C@]2(C)CCN(C(=O)C3=COCCC3)C2)c1-c1nn[n-]n1 ZINC001571294756 946143514 /nfs/dbraw/zinc/14/35/14/946143514.db2.gz LZCIAXKSHHRIHN-KRWDZBQOSA-N -1 1 389.485 1.976 20 0 GDADMM Cc1nsc(N2CCO[C@H](CNC(=O)[C@@H]3CC34CCC4)C2)c1-c1nn[n-]n1 ZINC001571295025 946153403 /nfs/dbraw/zinc/15/34/03/946153403.db2.gz NQNSQIRWXMNYLR-NEPJUHHUSA-N -1 1 389.485 1.143 20 0 GDADMM O=C(NC[C@@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1)[C@H]1Cc2ccccc21 ZINC001571298285 946210855 /nfs/dbraw/zinc/21/08/55/946210855.db2.gz MKUOXVXJQVYQRK-HOCLYGCPSA-N -1 1 390.451 1.472 20 0 GDADMM O=C(NC[C@@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1)[C@H]1Cc2ccccc21 ZINC001571298285 946210868 /nfs/dbraw/zinc/21/08/68/946210868.db2.gz MKUOXVXJQVYQRK-HOCLYGCPSA-N -1 1 390.451 1.472 20 0 GDADMM Cc1nsc(N2C[C@H](NC(=O)c3ccns3)CC[C@H]2C)c1-c1nn[n-]n1 ZINC001571298277 946211934 /nfs/dbraw/zinc/21/19/34/946211934.db2.gz MGYJNMNRPCIMIF-PSASIEDQSA-N -1 1 390.498 1.875 20 0 GDADMM CC[C@H](SC)C(=O)N1CCCC[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001571298579 946221425 /nfs/dbraw/zinc/22/14/25/946221425.db2.gz BDAOKYKNELPFNQ-STQMWFEESA-N -1 1 390.517 1.403 20 0 GDADMM Cc1ccccc1C(=O)N[C@]12CCC[C@H]1CN(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001571298802 946229466 /nfs/dbraw/zinc/22/94/66/946229466.db2.gz KQQGAJFXFUIXQX-XOBRGWDASA-N -1 1 390.451 1.754 20 0 GDADMM Cc1ccccc1C(=O)N[C@]12CCC[C@H]1CN(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001571298802 946229476 /nfs/dbraw/zinc/22/94/76/946229476.db2.gz KQQGAJFXFUIXQX-XOBRGWDASA-N -1 1 390.451 1.754 20 0 GDADMM CN(C(=O)c1cccc2c1CCC2)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571298956 946235654 /nfs/dbraw/zinc/23/56/54/946235654.db2.gz MJLXUWJDLMAGBP-AWEZNQCLSA-N -1 1 390.451 1.496 20 0 GDADMM CC[C@@H](SC)C(=O)N1CCC(CCNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571299179 946240629 /nfs/dbraw/zinc/24/06/29/946240629.db2.gz JMEOENNFNRDPCA-CYBMUJFWSA-N -1 1 390.517 1.261 20 0 GDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)Nc1ccc2c(c1)S(=O)(=O)CC2 ZINC001571299821 946261818 /nfs/dbraw/zinc/26/18/18/946261818.db2.gz VQFSKDYUVMLZET-UHFFFAOYSA-N -1 1 390.450 1.580 20 0 GDADMM Cc1ccccc1C(=O)N[C@@]12CCC[C@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001571300027 946268761 /nfs/dbraw/zinc/26/87/61/946268761.db2.gz YFSMGJYNKIFMKA-OXQOHEQNSA-N -1 1 390.451 1.897 20 0 GDADMM Cc1ccccc1C(=O)N[C@@]12CCC[C@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001571300027 946268774 /nfs/dbraw/zinc/26/87/74/946268774.db2.gz YFSMGJYNKIFMKA-OXQOHEQNSA-N -1 1 390.451 1.897 20 0 GDADMM Cc1cccnc1C(=O)N[C@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571300321 946280392 /nfs/dbraw/zinc/28/03/92/946280392.db2.gz ZOKYVAIEZPSKSH-VIFPVBQESA-N -1 1 390.860 1.689 20 0 GDADMM Cc1cccnc1C(=O)N[C@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571300321 946280402 /nfs/dbraw/zinc/28/04/02/946280402.db2.gz ZOKYVAIEZPSKSH-VIFPVBQESA-N -1 1 390.860 1.689 20 0 GDADMM COC(=O)[C@@H](NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1)c1ccccc1F ZINC001571301881 946286042 /nfs/dbraw/zinc/28/60/42/946286042.db2.gz GRFMKXVKCURAEM-AWEZNQCLSA-N -1 1 391.309 1.928 20 0 GDADMM COC(=O)[C@@H](NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1)c1ccccc1F ZINC001571301881 946286052 /nfs/dbraw/zinc/28/60/52/946286052.db2.gz GRFMKXVKCURAEM-AWEZNQCLSA-N -1 1 391.309 1.928 20 0 GDADMM Cc1ccncc1C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571302668 946311700 /nfs/dbraw/zinc/31/17/00/946311700.db2.gz DZMQJMOTMDZQMJ-AGUYFDCRSA-N -1 1 391.439 1.290 20 0 GDADMM Cc1ccc(N2C[C@H](C(=O)NCc3ccnc(-c4nnn[n-]4)c3)CC2=O)cc1C ZINC001571303206 946328883 /nfs/dbraw/zinc/32/88/83/946328883.db2.gz JSNJQJAZHAUPFA-OAHLLOKOSA-N -1 1 391.435 1.548 20 0 GDADMM Cc1ccc(N2C[C@H](C(=O)NCc3ccnc(-c4nn[n-]n4)c3)CC2=O)cc1C ZINC001571303206 946328895 /nfs/dbraw/zinc/32/88/95/946328895.db2.gz JSNJQJAZHAUPFA-OAHLLOKOSA-N -1 1 391.435 1.548 20 0 GDADMM O=C(NC1CC1)c1cccc([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000823146105 946330464 /nfs/dbraw/zinc/33/04/64/946330464.db2.gz UKWOOCALOKUOOV-UHFFFAOYSA-N -1 1 384.421 1.560 20 0 GDADMM Cc1cccnc1C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001571303768 946348262 /nfs/dbraw/zinc/34/82/62/946348262.db2.gz XMFLBQRGIKUEIW-MJBXVCDLSA-N -1 1 391.439 1.147 20 0 GDADMM Cc1cccnc1C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001571303768 946348273 /nfs/dbraw/zinc/34/82/73/946348273.db2.gz XMFLBQRGIKUEIW-MJBXVCDLSA-N -1 1 391.439 1.147 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CCN(c3snc(Cl)c3-c3nnn[n-]3)C2)cnn1 ZINC001571305811 946374673 /nfs/dbraw/zinc/37/46/73/946374673.db2.gz KOIMMQQDFCXDRA-VIFPVBQESA-N -1 1 391.848 1.084 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CCN(c3snc(Cl)c3-c3nn[n-]n3)C2)cnn1 ZINC001571305811 946374683 /nfs/dbraw/zinc/37/46/83/946374683.db2.gz KOIMMQQDFCXDRA-VIFPVBQESA-N -1 1 391.848 1.084 20 0 GDADMM Cc1nsc(NC[C@H]2CC[C@@H](NC(=O)C3CCOCC3)C2)c1-c1nn[n-]n1 ZINC001571305861 946380159 /nfs/dbraw/zinc/38/01/59/946380159.db2.gz MDBRLPXBAZYVKV-WCQYABFASA-N -1 1 391.501 1.755 20 0 GDADMM Cc1nsc(NC[C@]2(C)CCN(C(=O)c3cnsn3)C2)c1-c1nn[n-]n1 ZINC001571306119 946386781 /nfs/dbraw/zinc/38/67/81/946386781.db2.gz PRRHYQZRFKMPPG-AWEZNQCLSA-N -1 1 391.486 1.447 20 0 GDADMM CC1(C)CC[C@H](CNC(=O)[C@H]2CC2(F)F)N(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571307237 946420306 /nfs/dbraw/zinc/42/03/06/946420306.db2.gz AMJISAMXLIQKQP-GHMZBOCLSA-N -1 1 392.414 1.423 20 0 GDADMM CC1(C)CC[C@H](CNC(=O)[C@H]2CC2(F)F)N(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571307237 946420311 /nfs/dbraw/zinc/42/03/11/946420311.db2.gz AMJISAMXLIQKQP-GHMZBOCLSA-N -1 1 392.414 1.423 20 0 GDADMM CN(C[C@@H]1CCCN(C(=O)[C@H]2CCC2(F)F)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571307390 946422660 /nfs/dbraw/zinc/42/26/60/946422660.db2.gz CYBQLKSZFHRDDD-NWDGAFQWSA-N -1 1 392.414 1.377 20 0 GDADMM O=C(c1sccc1C(F)F)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571307616 946425174 /nfs/dbraw/zinc/42/51/74/946425174.db2.gz GSCBWWNWCISRBG-MRVPVSSYSA-N -1 1 392.395 1.982 20 0 GDADMM O=C(c1sccc1C(F)F)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571307616 946425180 /nfs/dbraw/zinc/42/51/80/946425180.db2.gz GSCBWWNWCISRBG-MRVPVSSYSA-N -1 1 392.395 1.982 20 0 GDADMM C[C@H]1CCCN(C(=O)C2CC(F)(F)C2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571307811 946425207 /nfs/dbraw/zinc/42/52/07/946425207.db2.gz HKVKKVQRGRABGF-GXFFZTMASA-N -1 1 392.414 1.741 20 0 GDADMM C[C@H]1CCCN(C(=O)C2CC(F)(F)C2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571307811 946425212 /nfs/dbraw/zinc/42/52/12/946425212.db2.gz HKVKKVQRGRABGF-GXFFZTMASA-N -1 1 392.414 1.741 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cn(-c2ccc(Cl)cc2)nn1 ZINC000823436347 946430955 /nfs/dbraw/zinc/43/09/55/946430955.db2.gz QUOVCIKASOQRII-UHFFFAOYSA-N -1 1 382.771 1.853 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cn(-c2ccc(Cl)cc2)nn1 ZINC000823436347 946430967 /nfs/dbraw/zinc/43/09/67/946430967.db2.gz QUOVCIKASOQRII-UHFFFAOYSA-N -1 1 382.771 1.853 20 0 GDADMM C[C@H]1C[C@H](NC(=O)CC2CC(F)(F)C2)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571308418 946433022 /nfs/dbraw/zinc/43/30/22/946433022.db2.gz PYVLMURLPYTGMN-CMPLNLGQSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H]1C[C@H](NC(=O)CC2CC(F)(F)C2)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571308418 946433026 /nfs/dbraw/zinc/43/30/26/946433026.db2.gz PYVLMURLPYTGMN-CMPLNLGQSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@@]1(NC(=O)[C@@H]2CCCC(F)(F)C2)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571309186 946440074 /nfs/dbraw/zinc/44/00/74/946440074.db2.gz XJOGAADQORXXST-BDJLRTHQSA-N -1 1 392.414 1.567 20 0 GDADMM C[C@@]1(NC(=O)[C@@H]2CCCC(F)(F)C2)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571309186 946440079 /nfs/dbraw/zinc/44/00/79/946440079.db2.gz XJOGAADQORXXST-BDJLRTHQSA-N -1 1 392.414 1.567 20 0 GDADMM O=C(C[C@H]1CCCC1(F)F)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571309803 946454641 /nfs/dbraw/zinc/45/46/41/946454641.db2.gz LHBGGUBGNWDJKY-VXGBXAGGSA-N -1 1 392.414 1.885 20 0 GDADMM O=C(C[C@H]1CCCC1(F)F)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571309803 946454649 /nfs/dbraw/zinc/45/46/49/946454649.db2.gz LHBGGUBGNWDJKY-VXGBXAGGSA-N -1 1 392.414 1.885 20 0 GDADMM O=C(N1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1)C1(C(F)F)CCCC1 ZINC001571309855 946454736 /nfs/dbraw/zinc/45/47/36/946454736.db2.gz MVQOTQDEAKJKCC-NSHDSACASA-N -1 1 392.414 1.885 20 0 GDADMM O=C(N1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1)C1(C(F)F)CCCC1 ZINC001571309855 946454744 /nfs/dbraw/zinc/45/47/44/946454744.db2.gz MVQOTQDEAKJKCC-NSHDSACASA-N -1 1 392.414 1.885 20 0 GDADMM O=C(N[C@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2)c1ccccc1O ZINC001571309910 946457223 /nfs/dbraw/zinc/45/72/23/946457223.db2.gz PFGVNDPWGHYJFB-BEFAXECRSA-N -1 1 392.423 1.294 20 0 GDADMM O=C(C[C@H]1CCC(F)(F)C1)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571310066 946461698 /nfs/dbraw/zinc/46/16/98/946461698.db2.gz UGOPTKYZRAIRJR-LLVKDONJSA-N -1 1 392.414 1.885 20 0 GDADMM O=C(C[C@H]1CCC(F)(F)C1)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571310066 946461705 /nfs/dbraw/zinc/46/17/05/946461705.db2.gz UGOPTKYZRAIRJR-LLVKDONJSA-N -1 1 392.414 1.885 20 0 GDADMM C[C@@H]1CCCN(C(=O)Cc2ccccc2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571312770 946500762 /nfs/dbraw/zinc/50/07/62/946500762.db2.gz CUGWMWHNZSTWHD-PBHICJAKSA-N -1 1 392.467 1.938 20 0 GDADMM C[C@@H]1CCCN(C(=O)Cc2ccccc2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571312770 946500768 /nfs/dbraw/zinc/50/07/68/946500768.db2.gz CUGWMWHNZSTWHD-PBHICJAKSA-N -1 1 392.467 1.938 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccnc(C2CC2)n1 ZINC001571313257 946516077 /nfs/dbraw/zinc/51/60/77/946516077.db2.gz OYISDQUFMHBHBQ-ZYHUDNBSSA-N -1 1 392.427 1.039 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccnc(C2CC2)n1 ZINC001571313257 946516097 /nfs/dbraw/zinc/51/60/97/946516097.db2.gz OYISDQUFMHBHBQ-ZYHUDNBSSA-N -1 1 392.427 1.039 20 0 GDADMM O=C(c1ncccc1[O-])N1CC[C@@H]2[C@H](CCN2c2ccc(-c3nn[nH]n3)cn2)C1 ZINC001571313899 946534400 /nfs/dbraw/zinc/53/44/00/946534400.db2.gz XDNYHXRYXXFNMS-ZIAGYGMSSA-N -1 1 392.423 1.103 20 0 GDADMM Cc1cc(C)cc(CC(=O)N2CCC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571314969 946546903 /nfs/dbraw/zinc/54/69/03/946546903.db2.gz FTEQYQVTHNGBAF-INIZCTEOSA-N -1 1 392.467 1.919 20 0 GDADMM Cc1cc(C)cc(CC(=O)N2CCC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571314969 946546916 /nfs/dbraw/zinc/54/69/16/946546916.db2.gz FTEQYQVTHNGBAF-INIZCTEOSA-N -1 1 392.467 1.919 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@H](C)[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571315009 946548312 /nfs/dbraw/zinc/54/83/12/946548312.db2.gz GJKFKKCKAPHLCC-HOCLYGCPSA-N -1 1 392.467 1.597 20 0 GDADMM Cc1ccc(C)c(CC(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H](C)C2)c1 ZINC001571315247 946550358 /nfs/dbraw/zinc/55/03/58/946550358.db2.gz IAINLEWFIFWHOX-YOEHRIQHSA-N -1 1 392.467 1.775 20 0 GDADMM Cc1ccc(C)c(CC(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H](C)C2)c1 ZINC001571315247 946550364 /nfs/dbraw/zinc/55/03/64/946550364.db2.gz IAINLEWFIFWHOX-YOEHRIQHSA-N -1 1 392.467 1.775 20 0 GDADMM Cc1ccc(C)c(CC(=O)N2CCC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571315254 946550683 /nfs/dbraw/zinc/55/06/83/946550683.db2.gz IDQDXMLGJUWKJE-INIZCTEOSA-N -1 1 392.467 1.919 20 0 GDADMM Cc1ccc(C)c(CC(=O)N2CCC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571315254 946550694 /nfs/dbraw/zinc/55/06/94/946550694.db2.gz IDQDXMLGJUWKJE-INIZCTEOSA-N -1 1 392.467 1.919 20 0 GDADMM Cc1cc(C)cc(CC(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@H]2C)c1 ZINC001571316021 946564282 /nfs/dbraw/zinc/56/42/82/946564282.db2.gz SAKZKCXUUMKQHC-GDBMZVCRSA-N -1 1 392.467 1.339 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)c(C)c1 ZINC001571316229 946568212 /nfs/dbraw/zinc/56/82/12/946568212.db2.gz WVVPMIQTZNIGAM-OAHLLOKOSA-N -1 1 392.467 1.981 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)c(C)c1 ZINC001571316229 946568216 /nfs/dbraw/zinc/56/82/16/946568216.db2.gz WVVPMIQTZNIGAM-OAHLLOKOSA-N -1 1 392.467 1.981 20 0 GDADMM Cc1ccccc1[C@H](C)C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571316464 946576073 /nfs/dbraw/zinc/57/60/73/946576073.db2.gz CYEPGKLLHDZAHK-GJZGRUSLSA-N -1 1 392.467 1.854 20 0 GDADMM Cc1ccccc1[C@H](C)C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571316464 946576085 /nfs/dbraw/zinc/57/60/85/946576085.db2.gz CYEPGKLLHDZAHK-GJZGRUSLSA-N -1 1 392.467 1.854 20 0 GDADMM O=C(C1=CCCC1)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1nccnc1-c1nnn[n-]1 ZINC001571316592 946582444 /nfs/dbraw/zinc/58/24/44/946582444.db2.gz HJCOBLJEAVOMIO-JONQDZQNSA-N -1 1 392.467 1.440 20 0 GDADMM O=C(C1=CCCC1)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1nccnc1-c1nn[n-]n1 ZINC001571316592 946582453 /nfs/dbraw/zinc/58/24/53/946582453.db2.gz HJCOBLJEAVOMIO-JONQDZQNSA-N -1 1 392.467 1.440 20 0 GDADMM Cc1cccc(CC(=O)N2CCC[C@@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)c1 ZINC001571316983 946596599 /nfs/dbraw/zinc/59/65/99/946596599.db2.gz RGUKSKWOQGHRAT-MRXNPFEDSA-N -1 1 392.467 1.919 20 0 GDADMM Cc1cccc(CC(=O)N2CCC[C@@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)c1 ZINC001571316983 946596612 /nfs/dbraw/zinc/59/66/12/946596612.db2.gz RGUKSKWOQGHRAT-MRXNPFEDSA-N -1 1 392.467 1.919 20 0 GDADMM Cc1ccccc1C(C)(C)C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571317181 946602571 /nfs/dbraw/zinc/60/25/71/946602571.db2.gz XNTOHFZKWNBYTE-AWEZNQCLSA-N -1 1 392.467 1.956 20 0 GDADMM Cc1ccccc1C(C)(C)C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571317181 946602575 /nfs/dbraw/zinc/60/25/75/946602575.db2.gz XNTOHFZKWNBYTE-AWEZNQCLSA-N -1 1 392.467 1.956 20 0 GDADMM O=C(Cc1ccc[nH]1)N1CC[C@H](CNc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571317269 946604719 /nfs/dbraw/zinc/60/47/19/946604719.db2.gz AFOFIUMOZPFUIB-SECBINFHSA-N -1 1 392.876 1.808 20 0 GDADMM O=C(Cc1ccc[nH]1)N1CC[C@H](CNc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571317269 946604722 /nfs/dbraw/zinc/60/47/22/946604722.db2.gz AFOFIUMOZPFUIB-SECBINFHSA-N -1 1 392.876 1.808 20 0 GDADMM NC(=O)Cc1ccc(CNC(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)cc1 ZINC001571317756 946619938 /nfs/dbraw/zinc/61/99/38/946619938.db2.gz UICLEHDWONLPGP-UHFFFAOYSA-N -1 1 392.832 1.326 20 0 GDADMM C=C1c2ccccc2C(=O)N1CC(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001573295610 947021649 /nfs/dbraw/zinc/02/16/49/947021649.db2.gz GMLWGLDACKHWNB-UHFFFAOYSA-N -1 1 387.403 1.668 20 0 GDADMM C=C1c2ccccc2C(=O)N1CC(=O)N1CCCc2nc(-c3nn[n-]n3)ccc21 ZINC001573295610 947021659 /nfs/dbraw/zinc/02/16/59/947021659.db2.gz GMLWGLDACKHWNB-UHFFFAOYSA-N -1 1 387.403 1.668 20 0 GDADMM C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001573295565 947021723 /nfs/dbraw/zinc/02/17/23/947021723.db2.gz FTZSPOYUWZAWDA-NSHDSACASA-N -1 1 391.391 1.724 20 0 GDADMM CC[C@@H](C)NC(=O)c1cccc(CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)c1 ZINC000825066993 947065331 /nfs/dbraw/zinc/06/53/31/947065331.db2.gz GAPSRQLSBPLJDM-LLVKDONJSA-N -1 1 397.439 1.550 20 0 GDADMM CC[C@@H](C)NC(=O)c1cccc(CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)c1 ZINC000825066993 947065344 /nfs/dbraw/zinc/06/53/44/947065344.db2.gz GAPSRQLSBPLJDM-LLVKDONJSA-N -1 1 397.439 1.550 20 0 GDADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC001573593039 947359824 /nfs/dbraw/zinc/35/98/24/947359824.db2.gz PNYKZLYSXBZORM-GFCCVEGCSA-N -1 1 384.444 1.950 20 0 GDADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC001573593039 947359837 /nfs/dbraw/zinc/35/98/37/947359837.db2.gz PNYKZLYSXBZORM-GFCCVEGCSA-N -1 1 384.444 1.950 20 0 GDADMM C[C@H](C(=O)N(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)C(C)(F)F ZINC001573593075 947361074 /nfs/dbraw/zinc/36/10/74/947361074.db2.gz IHCQMHVWKIHKRR-KOLCDFICSA-N -1 1 380.403 1.019 20 0 GDADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1cncc(-c2nnn[n-]2)n1)c1ccco1 ZINC001573594489 947398996 /nfs/dbraw/zinc/39/89/96/947398996.db2.gz ZTPXHGCRKHZLSR-LBPRGKRZSA-N -1 1 384.444 1.950 20 0 GDADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1cncc(-c2nn[n-]n2)n1)c1ccco1 ZINC001573594489 947399008 /nfs/dbraw/zinc/39/90/08/947399008.db2.gz ZTPXHGCRKHZLSR-LBPRGKRZSA-N -1 1 384.444 1.950 20 0 GDADMM C[C@H](C(=O)N(C)CCCN(C)c1cnc(-c2nnn[n-]2)cn1)c1cccs1 ZINC001573598835 947447552 /nfs/dbraw/zinc/44/75/52/947447552.db2.gz SEUUPBLPKQIQGV-LBPRGKRZSA-N -1 1 386.485 1.807 20 0 GDADMM C[C@H](C(=O)N(C)CCCN(C)c1cnc(-c2nn[n-]n2)cn1)c1cccs1 ZINC001573598835 947447559 /nfs/dbraw/zinc/44/75/59/947447559.db2.gz SEUUPBLPKQIQGV-LBPRGKRZSA-N -1 1 386.485 1.807 20 0 GDADMM C[C@@H](C(=O)N(C)CCN(C)c1nccnc1-c1nnn[n-]1)c1cccc(F)c1 ZINC001573601722 947463670 /nfs/dbraw/zinc/46/36/70/947463670.db2.gz AYQMUCSVHHQSTB-GFCCVEGCSA-N -1 1 384.419 1.494 20 0 GDADMM C[C@@H](C(=O)N(C)CCN(C)c1nccnc1-c1nn[n-]n1)c1cccc(F)c1 ZINC001573601722 947463675 /nfs/dbraw/zinc/46/36/75/947463675.db2.gz AYQMUCSVHHQSTB-GFCCVEGCSA-N -1 1 384.419 1.494 20 0 GDADMM C[C@@H](C(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1)c1ccc(Cl)cc1 ZINC001573603222 947481562 /nfs/dbraw/zinc/48/15/62/947481562.db2.gz FCQPJRZLYDARBX-LLVKDONJSA-N -1 1 386.847 1.984 20 0 GDADMM C[C@@H](C(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1)c1ccc(Cl)cc1 ZINC001573603222 947481567 /nfs/dbraw/zinc/48/15/67/947481567.db2.gz FCQPJRZLYDARBX-LLVKDONJSA-N -1 1 386.847 1.984 20 0 GDADMM COCCCOCC(=O)OCc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000826156671 947494695 /nfs/dbraw/zinc/49/46/95/947494695.db2.gz ONKSDJNJBNQYEK-UHFFFAOYSA-N -1 1 386.412 1.457 20 0 GDADMM C[C@H](C(=O)N(C)CCCNc1cncc(-c2nnn[n-]2)n1)c1ccccc1F ZINC001573604013 947502490 /nfs/dbraw/zinc/50/24/90/947502490.db2.gz QTBAACBTVCIYNI-LBPRGKRZSA-N -1 1 384.419 1.860 20 0 GDADMM C[C@H](C(=O)N(C)CCCNc1cncc(-c2nn[n-]n2)n1)c1ccccc1F ZINC001573604013 947502499 /nfs/dbraw/zinc/50/24/99/947502499.db2.gz QTBAACBTVCIYNI-LBPRGKRZSA-N -1 1 384.419 1.860 20 0 GDADMM C[C@H](C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1)c1ccc(Cl)cc1 ZINC001573604490 947510792 /nfs/dbraw/zinc/51/07/92/947510792.db2.gz NUHPAVNYUUBRJZ-NSHDSACASA-N -1 1 386.847 1.984 20 0 GDADMM C[C@H](C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1)c1ccc(Cl)cc1 ZINC001573604490 947510802 /nfs/dbraw/zinc/51/08/02/947510802.db2.gz NUHPAVNYUUBRJZ-NSHDSACASA-N -1 1 386.847 1.984 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1)C1CCCC1 ZINC001573614004 947575188 /nfs/dbraw/zinc/57/51/88/947575188.db2.gz KFOKZKNZTYHYHH-YUELXQCFSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1)C1CCCC1 ZINC001573614004 947575194 /nfs/dbraw/zinc/57/51/94/947575194.db2.gz KFOKZKNZTYHYHH-YUELXQCFSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C(C)(C)C1)c1ccco1 ZINC001573615618 947606189 /nfs/dbraw/zinc/60/61/89/947606189.db2.gz UCEAINMDLYVNKL-BXUZGUMPSA-N -1 1 382.428 1.702 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C(C)(C)C1)c1ccco1 ZINC001573615618 947606195 /nfs/dbraw/zinc/60/61/95/947606195.db2.gz UCEAINMDLYVNKL-BXUZGUMPSA-N -1 1 382.428 1.702 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)C1CCC1 ZINC001573615615 947606690 /nfs/dbraw/zinc/60/66/90/947606690.db2.gz TYOUOKHQEQRWNE-YUELXQCFSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1)c1ccco1 ZINC001573615695 947608382 /nfs/dbraw/zinc/60/83/82/947608382.db2.gz JUEPBRIMHOJPNB-STQMWFEESA-N -1 1 382.428 1.338 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1)c1ccco1 ZINC001573615695 947608387 /nfs/dbraw/zinc/60/83/87/947608387.db2.gz JUEPBRIMHOJPNB-STQMWFEESA-N -1 1 382.428 1.338 20 0 GDADMM C[C@@H](C(=O)N1CCC(CNc2cnc(-c3nnn[n-]3)cn2)CC1)[C@H]1CCCO1 ZINC001573616363 947622102 /nfs/dbraw/zinc/62/21/02/947622102.db2.gz IGYOLOMGSJVMBF-IUODEOHRSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](C(=O)N1CCC(CNc2cnc(-c3nn[n-]n3)cn2)CC1)[C@H]1CCCO1 ZINC001573616363 947622109 /nfs/dbraw/zinc/62/21/09/947622109.db2.gz IGYOLOMGSJVMBF-IUODEOHRSA-N -1 1 386.460 1.122 20 0 GDADMM C=Cc1ccc(C(=O)NC2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)cc1 ZINC001573354605 947634484 /nfs/dbraw/zinc/63/44/84/947634484.db2.gz FKSPMOSKTUTANS-UHFFFAOYSA-N -1 1 376.424 1.699 20 0 GDADMM C=Cc1ccc(C(=O)NC2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)cc1 ZINC001573354605 947634489 /nfs/dbraw/zinc/63/44/89/947634489.db2.gz FKSPMOSKTUTANS-UHFFFAOYSA-N -1 1 376.424 1.699 20 0 GDADMM Cc1csc(C(=O)[O-])c1S(=O)(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000327652727 971415130 /nfs/dbraw/zinc/41/51/30/971415130.db2.gz WQKWJIDGTWUOFZ-ZDUSSCGKSA-N -1 1 389.543 1.305 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@@H](Nc2nccnc2-c2nnn[n-]2)C2CC2)cc1 ZINC001573355451 947643881 /nfs/dbraw/zinc/64/38/81/947643881.db2.gz PKWUUMKHURAPFR-OAHLLOKOSA-N -1 1 376.424 1.920 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@@H](Nc2nccnc2-c2nn[n-]n2)C2CC2)cc1 ZINC001573355451 947643889 /nfs/dbraw/zinc/64/38/89/947643889.db2.gz PKWUUMKHURAPFR-OAHLLOKOSA-N -1 1 376.424 1.920 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1)c1ccsc1 ZINC001573619148 947660274 /nfs/dbraw/zinc/66/02/74/947660274.db2.gz UIJRBIFTNXMAKD-WCQYABFASA-N -1 1 384.469 1.559 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1)c1ccsc1 ZINC001573619148 947660276 /nfs/dbraw/zinc/66/02/76/947660276.db2.gz UIJRBIFTNXMAKD-WCQYABFASA-N -1 1 384.469 1.559 20 0 GDADMM C=Cc1ccc(C(=O)N[C@H]2C[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001573358310 947660913 /nfs/dbraw/zinc/66/09/13/947660913.db2.gz DQNKSQVXTYSJJY-CTYIDZIISA-N -1 1 376.424 1.920 20 0 GDADMM C=Cc1ccc(C(=O)N[C@H]2C[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001573358310 947660920 /nfs/dbraw/zinc/66/09/20/947660920.db2.gz DQNKSQVXTYSJJY-CTYIDZIISA-N -1 1 376.424 1.920 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCC[C@H]1CCO[C@@H](C)C1 ZINC000826233133 947682900 /nfs/dbraw/zinc/68/29/00/947682900.db2.gz VFZCOVFCEJCWSW-FZMZJTMJSA-N -1 1 388.472 1.838 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC(CCCO)CC1 ZINC000826233146 947684279 /nfs/dbraw/zinc/68/42/79/947684279.db2.gz VPLDWVDOZUYRNY-UHFFFAOYSA-N -1 1 388.472 1.528 20 0 GDADMM C[C@@H](C(=O)N1CCC(c2nc(C3CCC3)no2)CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001573623450 947688606 /nfs/dbraw/zinc/68/86/06/947688606.db2.gz FXPMUIYGWGDDOJ-JTQLQIEISA-N -1 1 398.431 1.076 20 0 GDADMM C/C(=C\C(=O)NCc1ccc(CNc2ccnc(-c3nn[n-]n3)n2)cc1)C1CC1 ZINC001573361528 947691176 /nfs/dbraw/zinc/69/11/76/947691176.db2.gz ATTYRMNCKYAJSD-JLHYYAGUSA-N -1 1 390.451 1.663 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1)c1ccsc1 ZINC001573627424 947722190 /nfs/dbraw/zinc/72/21/90/947722190.db2.gz BFCMYGZYCHZCAN-AAEUAGOBSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1)c1ccsc1 ZINC001573627424 947722195 /nfs/dbraw/zinc/72/21/95/947722195.db2.gz BFCMYGZYCHZCAN-AAEUAGOBSA-N -1 1 384.469 1.925 20 0 GDADMM CC(=O)CCCC(=O)N(C)C1CC(Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573364701 947725556 /nfs/dbraw/zinc/72/55/56/947725556.db2.gz IXAKYHKZZLRWPS-UHFFFAOYSA-N -1 1 377.474 1.792 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cccnc1 ZINC001573627735 947731081 /nfs/dbraw/zinc/73/10/81/947731081.db2.gz BHPPJBADVQZEKI-TZMCWYRMSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cccnc1 ZINC001573627735 947731085 /nfs/dbraw/zinc/73/10/85/947731085.db2.gz BHPPJBADVQZEKI-TZMCWYRMSA-N -1 1 379.428 1.258 20 0 GDADMM CC(=O)CCCC(=O)N(C)[C@@H](C)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573366920 947750781 /nfs/dbraw/zinc/75/07/81/947750781.db2.gz VIHLHNQRCXYETL-QMMMGPOBSA-N -1 1 385.881 1.995 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nnn[n-]3)nn2)C1)C(C)(C)C ZINC001573628733 947762755 /nfs/dbraw/zinc/76/27/55/947762755.db2.gz JQXLFUHSJJGRKW-KPZWWZAWSA-N -1 1 388.476 1.104 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nn[n-]n3)nn2)C1)C(C)(C)C ZINC001573628733 947762762 /nfs/dbraw/zinc/76/27/62/947762762.db2.gz JQXLFUHSJJGRKW-KPZWWZAWSA-N -1 1 388.476 1.104 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@@H]1Cc1ccc(O)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001573629372 947777468 /nfs/dbraw/zinc/77/74/68/947777468.db2.gz SHTAWLWHSIOZML-GXTWGEPZSA-N -1 1 382.428 1.349 20 0 GDADMM CC(=O)CCCC(=O)N1CCC(CCNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573372851 947784663 /nfs/dbraw/zinc/78/46/63/947784663.db2.gz DUDSIEOKFYAGHK-UHFFFAOYSA-N -1 1 386.460 1.457 20 0 GDADMM CC(=O)CCCC(=O)N1CCC(CCNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573372851 947784670 /nfs/dbraw/zinc/78/46/70/947784670.db2.gz DUDSIEOKFYAGHK-UHFFFAOYSA-N -1 1 386.460 1.457 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@](CO)(Nc2nccnc2-c2nnn[n-]2)C1)C(C)(C)C ZINC001573631353 947799630 /nfs/dbraw/zinc/79/96/30/947799630.db2.gz UTBQOYCEZPJZEJ-KPZWWZAWSA-N -1 1 388.476 1.104 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@](CO)(Nc2nccnc2-c2nn[n-]n2)C1)C(C)(C)C ZINC001573631353 947799639 /nfs/dbraw/zinc/79/96/39/947799639.db2.gz UTBQOYCEZPJZEJ-KPZWWZAWSA-N -1 1 388.476 1.104 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573375706 947824734 /nfs/dbraw/zinc/82/47/34/947824734.db2.gz UCVPEQJQIRSHGG-GFCCVEGCSA-N -1 1 377.474 1.651 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1)c1ccsc1 ZINC001573638346 947837135 /nfs/dbraw/zinc/83/71/35/947837135.db2.gz KUHUWBAOFUWXMW-DGCLKSJQSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1)c1ccsc1 ZINC001573638346 947837146 /nfs/dbraw/zinc/83/71/46/947837146.db2.gz KUHUWBAOFUWXMW-DGCLKSJQSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](C)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001573639662 947846133 /nfs/dbraw/zinc/84/61/33/947846133.db2.gz AVRLXKPCHGJSQE-MXWKQRLJSA-N -1 1 398.393 1.894 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](C)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001573639662 947846146 /nfs/dbraw/zinc/84/61/46/947846146.db2.gz AVRLXKPCHGJSQE-MXWKQRLJSA-N -1 1 398.393 1.894 20 0 GDADMM Cc1onc(CC(=O)NCC2(c3ccccc3C)CCOCC2)c1-c1nnn[n-]1 ZINC000826306563 947881218 /nfs/dbraw/zinc/88/12/18/947881218.db2.gz DGXTVVYDHJTAGV-UHFFFAOYSA-N -1 1 396.451 1.879 20 0 GDADMM Cc1onc(CC(=O)NCC2(c3ccccc3C)CCOCC2)c1-c1nn[n-]n1 ZINC000826306563 947881227 /nfs/dbraw/zinc/88/12/27/947881227.db2.gz DGXTVVYDHJTAGV-UHFFFAOYSA-N -1 1 396.451 1.879 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cccnc1 ZINC001573647137 947883825 /nfs/dbraw/zinc/88/38/25/947883825.db2.gz CZLFZAFNPGILRI-LALPHHSUSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cccnc1 ZINC001573647137 947883830 /nfs/dbraw/zinc/88/38/30/947883830.db2.gz CZLFZAFNPGILRI-LALPHHSUSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](CNc2nccnc2-c2nnn[n-]2)[C@H](C)C1)c1cccnc1 ZINC001573647408 947892853 /nfs/dbraw/zinc/89/28/53/947892853.db2.gz KGSIOEIDZLXGII-VNHYZAJKSA-N -1 1 393.455 1.362 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](CNc2nccnc2-c2nn[n-]n2)[C@H](C)C1)c1cccnc1 ZINC001573647408 947892861 /nfs/dbraw/zinc/89/28/61/947892861.db2.gz KGSIOEIDZLXGII-VNHYZAJKSA-N -1 1 393.455 1.362 20 0 GDADMM CC(=O)CCCC(=O)NCC[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573383519 947892890 /nfs/dbraw/zinc/89/28/90/947892890.db2.gz UWZBFLXLIYGNBJ-AWEZNQCLSA-N -1 1 386.460 1.057 20 0 GDADMM CC(=O)CCCC(=O)NCC[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573383519 947892898 /nfs/dbraw/zinc/89/28/98/947892898.db2.gz UWZBFLXLIYGNBJ-AWEZNQCLSA-N -1 1 386.460 1.057 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1)C1CCCC1 ZINC001573647509 947897407 /nfs/dbraw/zinc/89/74/07/947897407.db2.gz NDMFLLKOPBVIAA-VNHYZAJKSA-N -1 1 384.488 1.411 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CC[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573384185 947900155 /nfs/dbraw/zinc/90/01/55/947900155.db2.gz IPSKKDKGUMKPSY-HDJSIYSDSA-N -1 1 386.460 1.564 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CC[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573384185 947900159 /nfs/dbraw/zinc/90/01/59/947900159.db2.gz IPSKKDKGUMKPSY-HDJSIYSDSA-N -1 1 386.460 1.564 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@]2(C)C1)C(C)(F)F ZINC001573651257 947919212 /nfs/dbraw/zinc/91/92/12/947919212.db2.gz KPHLSRKMRFIPGW-USBNGQNGSA-N -1 1 392.414 1.233 20 0 GDADMM C[C@H](C(=O)N1C[C@@]2(C)CN(c3cnc(-c4nnn[n-]4)cn3)C[C@@]2(C)C1)C1CC1 ZINC001573651724 947923707 /nfs/dbraw/zinc/92/37/07/947923707.db2.gz PXTIVAIEFAHUTN-YXKWSERDSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H](C(=O)N1C[C@@]2(C)CN(c3cnc(-c4nn[n-]n4)cn3)C[C@@]2(C)C1)C1CC1 ZINC001573651724 947923710 /nfs/dbraw/zinc/92/37/10/947923710.db2.gz PXTIVAIEFAHUTN-YXKWSERDSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H](C(=O)N=[S@](C)(=O)c1ccc(Cl)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001573652294 947934311 /nfs/dbraw/zinc/93/43/11/947934311.db2.gz WVHFXUXHTOEZRU-HUVZLPTESA-N -1 1 380.821 1.356 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1ccsc1 ZINC001573652868 947949421 /nfs/dbraw/zinc/94/94/21/947949421.db2.gz HSUPORXCZCWWHH-GXFFZTMASA-N -1 1 384.469 1.251 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C(C)(C)C)C(C)(F)F ZINC001573654235 947963302 /nfs/dbraw/zinc/96/33/02/947963302.db2.gz PTWQXYIHFFJETM-ZJUUUORDSA-N -1 1 382.419 1.891 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C(C)(C)C)C(C)(F)F ZINC001573654235 947963310 /nfs/dbraw/zinc/96/33/10/947963310.db2.gz PTWQXYIHFFJETM-ZJUUUORDSA-N -1 1 382.419 1.891 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)c1cccnc1 ZINC001573655386 947976757 /nfs/dbraw/zinc/97/67/57/947976757.db2.gz XDCIANJJZONSJA-RISCZKNCSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)c1cccnc1 ZINC001573655386 947976765 /nfs/dbraw/zinc/97/67/65/947976765.db2.gz XDCIANJJZONSJA-RISCZKNCSA-N -1 1 379.428 1.162 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1-c1nnn[n-]1 ZINC000826344667 948010910 /nfs/dbraw/zinc/01/09/10/948010910.db2.gz OCEOMPVTUPNDMC-CQSZACIVSA-N -1 1 396.407 1.841 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1-c1nn[n-]n1 ZINC000826344667 948010916 /nfs/dbraw/zinc/01/09/16/948010916.db2.gz OCEOMPVTUPNDMC-CQSZACIVSA-N -1 1 396.407 1.841 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](c2ccccc2)C2CCOCC2)c1-c1nnn[n-]1 ZINC000826345071 948018176 /nfs/dbraw/zinc/01/81/76/948018176.db2.gz BBHZCYKNKUZNQV-SFHVURJKSA-N -1 1 382.424 1.990 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](c2ccccc2)C2CCOCC2)c1-c1nn[n-]n1 ZINC000826345071 948018186 /nfs/dbraw/zinc/01/81/86/948018186.db2.gz BBHZCYKNKUZNQV-SFHVURJKSA-N -1 1 382.424 1.990 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)c1-c1nnn[n-]1 ZINC000826345048 948018796 /nfs/dbraw/zinc/01/87/96/948018796.db2.gz AHHPWLTWTVOEEH-ZFWWWQNUSA-N -1 1 382.424 1.990 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)c1-c1nn[n-]n1 ZINC000826345048 948018803 /nfs/dbraw/zinc/01/88/03/948018803.db2.gz AHHPWLTWTVOEEH-ZFWWWQNUSA-N -1 1 382.424 1.990 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)c1-c1nnn[n-]1 ZINC000826345371 948024484 /nfs/dbraw/zinc/02/44/84/948024484.db2.gz KBOCXWRCHRSWGX-GOSISDBHSA-N -1 1 398.423 1.990 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)c1-c1nn[n-]n1 ZINC000826345371 948024490 /nfs/dbraw/zinc/02/44/90/948024490.db2.gz KBOCXWRCHRSWGX-GOSISDBHSA-N -1 1 398.423 1.990 20 0 GDADMM C[C@@H](C(=O)NC1(CNc2nccnc2-c2nnn[n-]2)CCCC1)[C@@H]1CCCO1 ZINC001573662807 948029951 /nfs/dbraw/zinc/02/99/51/948029951.db2.gz GYYZXKHOBLYRDW-OLZOCXBDSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](C(=O)NC1(CNc2nccnc2-c2nn[n-]n2)CCCC1)[C@@H]1CCCO1 ZINC001573662807 948029962 /nfs/dbraw/zinc/02/99/62/948029962.db2.gz GYYZXKHOBLYRDW-OLZOCXBDSA-N -1 1 386.460 1.313 20 0 GDADMM CC(C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1nccnc1-c1nnn[n-]1)C2)=C1CCC1 ZINC001573663893 948043732 /nfs/dbraw/zinc/04/37/32/948043732.db2.gz BGFIBOIAWLTSIX-CFVMTHIKSA-N -1 1 380.456 1.631 20 0 GDADMM CC(C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1nccnc1-c1nn[n-]n1)C2)=C1CCC1 ZINC001573663893 948043741 /nfs/dbraw/zinc/04/37/41/948043741.db2.gz BGFIBOIAWLTSIX-CFVMTHIKSA-N -1 1 380.456 1.631 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(N3CCO[C@@H](C)C3)cc2)c1-c1nnn[n-]1 ZINC000826348293 948070047 /nfs/dbraw/zinc/07/00/47/948070047.db2.gz FUMXZRTXIHYCHH-NSHDSACASA-N -1 1 383.412 1.569 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(N3CCO[C@@H](C)C3)cc2)c1-c1nn[n-]n1 ZINC000826348293 948070056 /nfs/dbraw/zinc/07/00/56/948070056.db2.gz FUMXZRTXIHYCHH-NSHDSACASA-N -1 1 383.412 1.569 20 0 GDADMM Cc1onc(CC(=O)Nc2cc3c(cc2Cl)OCCO3)c1-c1nnn[n-]1 ZINC000826348634 948078399 /nfs/dbraw/zinc/07/83/99/948078399.db2.gz WKZSOFFOXQCUCP-UHFFFAOYSA-N -1 1 376.760 1.769 20 0 GDADMM Cc1onc(CC(=O)Nc2cc3c(cc2Cl)OCCO3)c1-c1nn[n-]n1 ZINC000826348634 948078405 /nfs/dbraw/zinc/07/84/05/948078405.db2.gz WKZSOFFOXQCUCP-UHFFFAOYSA-N -1 1 376.760 1.769 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(OCC(F)(F)F)nc2)c1-c1nnn[n-]1 ZINC000826348610 948078483 /nfs/dbraw/zinc/07/84/83/948078483.db2.gz VKLIVTVXOOOXSR-UHFFFAOYSA-N -1 1 383.290 1.680 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(OCC(F)(F)F)nc2)c1-c1nn[n-]n1 ZINC000826348610 948078490 /nfs/dbraw/zinc/07/84/90/948078490.db2.gz VKLIVTVXOOOXSR-UHFFFAOYSA-N -1 1 383.290 1.680 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C1CCCC1 ZINC001573666221 948081026 /nfs/dbraw/zinc/08/10/26/948081026.db2.gz RCLFEZWVMWINOO-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C1CCCC1 ZINC001573666221 948081037 /nfs/dbraw/zinc/08/10/37/948081037.db2.gz RCLFEZWVMWINOO-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM CC(=O)N(CC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1)c1ccccc1 ZINC001573413553 948081657 /nfs/dbraw/zinc/08/16/57/948081657.db2.gz AZQXWXRALQDCRN-UHFFFAOYSA-N -1 1 377.817 1.968 20 0 GDADMM C[C@@H](C(=O)NC1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1)c1ccco1 ZINC001573666615 948088546 /nfs/dbraw/zinc/08/85/46/948088546.db2.gz UPUVYGSCWWRSGO-PNESKVBLSA-N -1 1 382.428 1.893 20 0 GDADMM C[C@@H](C(=O)NC1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1)c1ccco1 ZINC001573666615 948088555 /nfs/dbraw/zinc/08/85/55/948088555.db2.gz UPUVYGSCWWRSGO-PNESKVBLSA-N -1 1 382.428 1.893 20 0 GDADMM Cc1onc(CC(=O)Nc2cccn(Cc3ccccc3)c2=O)c1-c1nn[n-]n1 ZINC000826349138 948090295 /nfs/dbraw/zinc/09/02/95/948090295.db2.gz VOJQZJJACDFTCI-UHFFFAOYSA-N -1 1 391.391 1.554 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)n1cccc1 ZINC001573667067 948094535 /nfs/dbraw/zinc/09/45/35/948094535.db2.gz XLUARLHMNVEQNE-KBPBESRZSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)n1cccc1 ZINC001573667067 948094547 /nfs/dbraw/zinc/09/45/47/948094547.db2.gz XLUARLHMNVEQNE-KBPBESRZSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](C(=O)NC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1)c1cccs1 ZINC001573678039 948147201 /nfs/dbraw/zinc/14/72/01/948147201.db2.gz CGACCVKYBRGEFL-CMPLNLGQSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1)c1cccs1 ZINC001573678039 948147205 /nfs/dbraw/zinc/14/72/05/948147205.db2.gz CGACCVKYBRGEFL-CMPLNLGQSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C)C1CCCC1 ZINC001573680750 948188645 /nfs/dbraw/zinc/18/86/45/948188645.db2.gz RNGOYQCBXDCIIU-DOMZBBRYSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C)C1CCCC1 ZINC001573680750 948188649 /nfs/dbraw/zinc/18/86/49/948188649.db2.gz RNGOYQCBXDCIIU-DOMZBBRYSA-N -1 1 384.488 1.814 20 0 GDADMM CC(=O)N1CCC([C@@H]2C[C@H](Nc3snc(C)c3-c3nn[n-]n3)CCO2)CC1 ZINC001573434986 948223326 /nfs/dbraw/zinc/22/33/26/948223326.db2.gz UMCSZXKBPVBUCW-KGLIPLIRSA-N -1 1 391.501 1.850 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCCC1)C(C)(F)F ZINC001573693035 948276368 /nfs/dbraw/zinc/27/63/68/948276368.db2.gz URPGOVUNVHMUNH-SNVBAGLBSA-N -1 1 380.403 1.789 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCCC1)C(C)(F)F ZINC001573693035 948276374 /nfs/dbraw/zinc/27/63/74/948276374.db2.gz URPGOVUNVHMUNH-SNVBAGLBSA-N -1 1 380.403 1.789 20 0 GDADMM C[C@H](C(=O)NC[C@H](O)CNc1nc(Cl)c(-c2nnn[n-]2)s1)C1CCC1 ZINC001573692992 948276741 /nfs/dbraw/zinc/27/67/41/948276741.db2.gz RGNKWWXQFQEMAS-CBAPKCEASA-N -1 1 385.881 1.302 20 0 GDADMM C[C@H](C(=O)NC[C@H](O)CNc1nc(Cl)c(-c2nn[n-]n2)s1)C1CCC1 ZINC001573692992 948276750 /nfs/dbraw/zinc/27/67/50/948276750.db2.gz RGNKWWXQFQEMAS-CBAPKCEASA-N -1 1 385.881 1.302 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCC1)c1cccs1 ZINC001573695263 948302317 /nfs/dbraw/zinc/30/23/17/948302317.db2.gz FWQDFBUHPGTDNS-LLVKDONJSA-N -1 1 384.469 1.973 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCC1)c1cccs1 ZINC001573695263 948302327 /nfs/dbraw/zinc/30/23/27/948302327.db2.gz FWQDFBUHPGTDNS-LLVKDONJSA-N -1 1 384.469 1.973 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCCC1)C(F)(F)F ZINC001573696495 948325717 /nfs/dbraw/zinc/32/57/17/948325717.db2.gz RGMWDCGCBXULMP-VIFPVBQESA-N -1 1 384.366 1.696 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCCC1)C(F)(F)F ZINC001573696495 948325729 /nfs/dbraw/zinc/32/57/29/948325729.db2.gz RGMWDCGCBXULMP-VIFPVBQESA-N -1 1 384.366 1.696 20 0 GDADMM C[C@H](C(=O)NCC1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cccs1 ZINC001573701492 948337877 /nfs/dbraw/zinc/33/78/77/948337877.db2.gz AMJDJZMTMSVCKC-UNXYVOJBSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NCC1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cccs1 ZINC001573701492 948337885 /nfs/dbraw/zinc/33/78/85/948337885.db2.gz AMJDJZMTMSVCKC-UNXYVOJBSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001573701595 948340473 /nfs/dbraw/zinc/34/04/73/948340473.db2.gz BGTIKZNXPAUXDR-VHSXEESVSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001573701595 948340480 /nfs/dbraw/zinc/34/04/80/948340480.db2.gz BGTIKZNXPAUXDR-VHSXEESVSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1)n1cccc1 ZINC001573702277 948344710 /nfs/dbraw/zinc/34/47/10/948344710.db2.gz DCCADCNXPYSPQV-UONOGXRCSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1)n1cccc1 ZINC001573702277 948344718 /nfs/dbraw/zinc/34/47/18/948344718.db2.gz DCCADCNXPYSPQV-UONOGXRCSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573704019 948361035 /nfs/dbraw/zinc/36/10/35/948361035.db2.gz NZYMWYODTWBUFH-UWVGGRQHSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)c1ccsc1 ZINC001573704230 948367287 /nfs/dbraw/zinc/36/72/87/948367287.db2.gz QTXSLEQMGJLPBG-AAEUAGOBSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)c1ccsc1 ZINC001573704230 948367295 /nfs/dbraw/zinc/36/72/95/948367295.db2.gz QTXSLEQMGJLPBG-AAEUAGOBSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001573704646 948378796 /nfs/dbraw/zinc/37/87/96/948378796.db2.gz UEBHQPDSNMSXRU-VHSXEESVSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001573704646 948378804 /nfs/dbraw/zinc/37/88/04/948378804.db2.gz UEBHQPDSNMSXRU-VHSXEESVSA-N -1 1 384.366 1.188 20 0 GDADMM O=S(=O)(NCCc1ccc(CO)cc1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826491462 948404500 /nfs/dbraw/zinc/40/45/00/948404500.db2.gz KLXNIIOTKQOSLA-UHFFFAOYSA-N -1 1 393.856 1.533 20 0 GDADMM O=S(=O)(NCCc1ccc(CO)cc1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826491462 948404505 /nfs/dbraw/zinc/40/45/05/948404505.db2.gz KLXNIIOTKQOSLA-UHFFFAOYSA-N -1 1 393.856 1.533 20 0 GDADMM C[C@@H](C(=O)NCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C(F)(F)F ZINC001573706136 948413489 /nfs/dbraw/zinc/41/34/89/948413489.db2.gz JZFIYYKPICKRKJ-VIFPVBQESA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@H](C(=O)NCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C(F)(F)F ZINC001573706136 948413493 /nfs/dbraw/zinc/41/34/93/948413493.db2.gz JZFIYYKPICKRKJ-VIFPVBQESA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCC1(F)F)C1CC1 ZINC001573706708 948423251 /nfs/dbraw/zinc/42/32/51/948423251.db2.gz KTLIXLPAWNASLS-ZYHUDNBSSA-N -1 1 392.414 1.281 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCC1(F)F)C1CC1 ZINC001573706708 948423256 /nfs/dbraw/zinc/42/32/56/948423256.db2.gz KTLIXLPAWNASLS-ZYHUDNBSSA-N -1 1 392.414 1.281 20 0 GDADMM C[C@H](C(=O)NCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)n1cccc1 ZINC001573707496 948432981 /nfs/dbraw/zinc/43/29/81/948432981.db2.gz PNDRFLCMQKAWCZ-CYBMUJFWSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@H](C(=O)NCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)n1cccc1 ZINC001573707496 948432986 /nfs/dbraw/zinc/43/29/86/948432986.db2.gz PNDRFLCMQKAWCZ-CYBMUJFWSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](C(=O)NCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C1CCCC1 ZINC001573708389 948449306 /nfs/dbraw/zinc/44/93/06/948449306.db2.gz USODXXPXVAHKJX-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C1CCCC1 ZINC001573708389 948449312 /nfs/dbraw/zinc/44/93/12/948449312.db2.gz USODXXPXVAHKJX-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NCC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)C1CCCC1 ZINC001573714925 948478585 /nfs/dbraw/zinc/47/85/85/948478585.db2.gz LJYKNKDNPSDXEN-ZIAGYGMSSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NCC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573714925 948478592 /nfs/dbraw/zinc/47/85/92/948478592.db2.gz LJYKNKDNPSDXEN-ZIAGYGMSSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C(=O)NCCOCCN(C)c1ccc(-c2nnn[n-]2)nn1)=C1CCCC1 ZINC001573719508 948524761 /nfs/dbraw/zinc/52/47/61/948524761.db2.gz WDNUJIILDFKNPD-UHFFFAOYSA-N -1 1 386.460 1.116 20 0 GDADMM CC(C(=O)NCCOCCN(C)c1ccc(-c2nn[n-]n2)nn1)=C1CCCC1 ZINC001573719508 948524769 /nfs/dbraw/zinc/52/47/69/948524769.db2.gz WDNUJIILDFKNPD-UHFFFAOYSA-N -1 1 386.460 1.116 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1snc(Cl)c1-c1nnn[n-]1)c1ccco1 ZINC001573721019 948537419 /nfs/dbraw/zinc/53/74/19/948537419.db2.gz UWUPSQFIOZPYTR-MRVPVSSYSA-N -1 1 381.849 1.926 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1snc(Cl)c1-c1nn[n-]n1)c1ccco1 ZINC001573721019 948537428 /nfs/dbraw/zinc/53/74/28/948537428.db2.gz UWUPSQFIOZPYTR-MRVPVSSYSA-N -1 1 381.849 1.926 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)C(C)(F)F ZINC001573725927 948546074 /nfs/dbraw/zinc/54/60/74/948546074.db2.gz CWMLKNPPECZARD-GMTAPVOTSA-N -1 1 380.403 1.137 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)C(C)(F)F ZINC001573725927 948546080 /nfs/dbraw/zinc/54/60/80/948546080.db2.gz CWMLKNPPECZARD-GMTAPVOTSA-N -1 1 380.403 1.137 20 0 GDADMM CC(C(=O)NC[C@@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@H]1C)=C1CCC1 ZINC001573729965 948573085 /nfs/dbraw/zinc/57/30/85/948573085.db2.gz XEQJTRPTNGXHRQ-IAQYHMDHSA-N -1 1 382.472 1.654 20 0 GDADMM CC(C(=O)NC[C@@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)C[C@H]1C)=C1CCC1 ZINC001573729965 948573088 /nfs/dbraw/zinc/57/30/88/948573088.db2.gz XEQJTRPTNGXHRQ-IAQYHMDHSA-N -1 1 382.472 1.654 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccsc1 ZINC001573741513 948653885 /nfs/dbraw/zinc/65/38/85/948653885.db2.gz BTBLLRUWVWEBGL-AAEUAGOBSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccsc1 ZINC001573741513 948653891 /nfs/dbraw/zinc/65/38/91/948653891.db2.gz BTBLLRUWVWEBGL-AAEUAGOBSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2nccnc2-c2nnn[n-]2)CC1)C(C)(F)F ZINC001573745059 948667984 /nfs/dbraw/zinc/66/79/84/948667984.db2.gz AJAUVMAWGZFJGT-GMTAPVOTSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2nccnc2-c2nn[n-]n2)CC1)C(C)(F)F ZINC001573745059 948667992 /nfs/dbraw/zinc/66/79/92/948667992.db2.gz AJAUVMAWGZFJGT-GMTAPVOTSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)COc1ccc(F)cc1 ZINC001574678309 948745296 /nfs/dbraw/zinc/74/52/96/948745296.db2.gz CNVCACSEFROCOY-NSHDSACASA-N -1 1 386.391 1.182 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)COc1ccc(F)cc1 ZINC001574678309 948745306 /nfs/dbraw/zinc/74/53/06/948745306.db2.gz CNVCACSEFROCOY-NSHDSACASA-N -1 1 386.391 1.182 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@H](C)[C@@H](C)Nc2nccnc2-c2nnn[n-]2)cn1 ZINC001574416359 948746472 /nfs/dbraw/zinc/74/64/72/948746472.db2.gz RWGOYGOZPOYTQJ-VXGBXAGGSA-N -1 1 381.444 1.794 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@H](C)[C@@H](C)Nc2nccnc2-c2nn[n-]n2)cn1 ZINC001574416359 948746478 /nfs/dbraw/zinc/74/64/78/948746478.db2.gz RWGOYGOZPOYTQJ-VXGBXAGGSA-N -1 1 381.444 1.794 20 0 GDADMM CC(C)[C@H](F)C(=O)N1CC[C@@]2(C1)CCCN(c1nccnc1-c1nnn[n-]1)C2 ZINC001574075683 948751017 /nfs/dbraw/zinc/75/10/17/948751017.db2.gz YTOIJDHBYSWAFM-UGSOOPFHSA-N -1 1 388.451 1.470 20 0 GDADMM CC(C)[C@H](F)C(=O)N1CC[C@@]2(C1)CCCN(c1nccnc1-c1nn[n-]n1)C2 ZINC001574075683 948751022 /nfs/dbraw/zinc/75/10/22/948751022.db2.gz YTOIJDHBYSWAFM-UGSOOPFHSA-N -1 1 388.451 1.470 20 0 GDADMM C[C@H](CNC(=O)CCc1ccc(F)cc1)CNc1nccnc1-c1nnn[n-]1 ZINC001574914684 948755251 /nfs/dbraw/zinc/75/52/51/948755251.db2.gz MUMDAQHLYFMHGF-GFCCVEGCSA-N -1 1 384.419 1.593 20 0 GDADMM C[C@H](CNC(=O)CCc1ccc(F)cc1)CNc1nccnc1-c1nn[n-]n1 ZINC001574914684 948755262 /nfs/dbraw/zinc/75/52/62/948755262.db2.gz MUMDAQHLYFMHGF-GFCCVEGCSA-N -1 1 384.419 1.593 20 0 GDADMM CC(F)(F)C1(C(=O)N2CC[C@H](CCNc3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001575223286 948762177 /nfs/dbraw/zinc/76/21/77/948762177.db2.gz MQCBORJBHSZSPN-NSHDSACASA-N -1 1 392.414 1.743 20 0 GDADMM CC(F)(F)C1(C(=O)N2CC[C@H](CCNc3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001575223286 948762186 /nfs/dbraw/zinc/76/21/86/948762186.db2.gz MQCBORJBHSZSPN-NSHDSACASA-N -1 1 392.414 1.743 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@H]2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001575222828 948762200 /nfs/dbraw/zinc/76/22/00/948762200.db2.gz LQDRFPQLHWWBQS-WDEREUQCSA-N -1 1 392.414 1.789 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@H]2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001575222828 948762212 /nfs/dbraw/zinc/76/22/12/948762212.db2.gz LQDRFPQLHWWBQS-WDEREUQCSA-N -1 1 392.414 1.789 20 0 GDADMM CC(F)(F)C1(C(=O)N2CC[C@H](CNc3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001575223917 948776054 /nfs/dbraw/zinc/77/60/54/948776054.db2.gz PICPCBRKJRREQJ-SNVBAGLBSA-N -1 1 378.387 1.353 20 0 GDADMM CC(F)(F)C1(C(=O)N2CC[C@H](CNc3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001575223917 948776068 /nfs/dbraw/zinc/77/60/68/948776068.db2.gz PICPCBRKJRREQJ-SNVBAGLBSA-N -1 1 378.387 1.353 20 0 GDADMM C[C@H](C(=O)Nc1ccc(-c2ccccc2F)nn1)n1cnc(-c2nn[n-]n2)n1 ZINC001573755798 948782690 /nfs/dbraw/zinc/78/26/90/948782690.db2.gz IPDWEHYEDKXIEL-SECBINFHSA-N -1 1 380.347 1.254 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CCC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001575224349 948783572 /nfs/dbraw/zinc/78/35/72/948783572.db2.gz UUXUGXQTWXAQLS-QWRGUYRKSA-N -1 1 392.414 1.931 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CCC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001575224349 948783586 /nfs/dbraw/zinc/78/35/86/948783586.db2.gz UUXUGXQTWXAQLS-QWRGUYRKSA-N -1 1 392.414 1.931 20 0 GDADMM CC(F)(F)CC(=O)NC1(CCO)CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001575224922 948793866 /nfs/dbraw/zinc/79/38/66/948793866.db2.gz UGYCFGKCWCGJIL-UHFFFAOYSA-N -1 1 386.428 1.027 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@H]2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001575224823 948794410 /nfs/dbraw/zinc/79/44/10/948794410.db2.gz ZMVGBAFFJMLESP-WDEREUQCSA-N -1 1 392.414 1.789 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@H]2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575224823 948794420 /nfs/dbraw/zinc/79/44/20/948794420.db2.gz ZMVGBAFFJMLESP-WDEREUQCSA-N -1 1 392.414 1.789 20 0 GDADMM CC(C)c1ccccc1C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001574419985 948795172 /nfs/dbraw/zinc/79/51/72/948795172.db2.gz NHYJGAHCIFUZQK-ZSHCYNCHSA-N -1 1 390.451 1.645 20 0 GDADMM CC(C)c1ccccc1C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001574419985 948795183 /nfs/dbraw/zinc/79/51/83/948795183.db2.gz NHYJGAHCIFUZQK-ZSHCYNCHSA-N -1 1 390.451 1.645 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cc1ccc(F)c(F)c1 ZINC001574679926 948795520 /nfs/dbraw/zinc/79/55/20/948795520.db2.gz CADASJKDVTWTBO-JTQLQIEISA-N -1 1 388.382 1.484 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cc1ccc(F)c(F)c1 ZINC001574679926 948795531 /nfs/dbraw/zinc/79/55/31/948795531.db2.gz CADASJKDVTWTBO-JTQLQIEISA-N -1 1 388.382 1.484 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)c1 ZINC001574420518 948800301 /nfs/dbraw/zinc/80/03/01/948800301.db2.gz WCANJCMKFAMENY-HWWDLCQESA-N -1 1 390.451 1.645 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]32)c1 ZINC001574420518 948800319 /nfs/dbraw/zinc/80/03/19/948800319.db2.gz WCANJCMKFAMENY-HWWDLCQESA-N -1 1 390.451 1.645 20 0 GDADMM CC(C)c1ccoc1C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574421106 948816209 /nfs/dbraw/zinc/81/62/09/948816209.db2.gz GWTZFWXXMXGZCB-LBPRGKRZSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1ccoc1C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574421106 948816225 /nfs/dbraw/zinc/81/62/25/948816225.db2.gz GWTZFWXXMXGZCB-LBPRGKRZSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1ccoc1C(=O)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001574421739 948824525 /nfs/dbraw/zinc/82/45/25/948824525.db2.gz NLQMVMFRRIRSDB-GFCCVEGCSA-N -1 1 382.428 1.947 20 0 GDADMM CC(C)c1ccoc1C(=O)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001574421739 948824543 /nfs/dbraw/zinc/82/45/43/948824543.db2.gz NLQMVMFRRIRSDB-GFCCVEGCSA-N -1 1 382.428 1.947 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@H]2[C@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001575227048 948825383 /nfs/dbraw/zinc/82/53/83/948825383.db2.gz RJWUCKHJEMCWRI-NWDGAFQWSA-N -1 1 378.387 1.272 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@H]2[C@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001575227048 948825396 /nfs/dbraw/zinc/82/53/96/948825396.db2.gz RJWUCKHJEMCWRI-NWDGAFQWSA-N -1 1 378.387 1.272 20 0 GDADMM CC(C)c1ccoc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C ZINC001574421962 948825876 /nfs/dbraw/zinc/82/58/76/948825876.db2.gz SCAQTFUQFPOFQP-BXUZGUMPSA-N -1 1 382.428 1.628 20 0 GDADMM CC(C)c1ccoc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C ZINC001574421962 948825896 /nfs/dbraw/zinc/82/58/96/948825896.db2.gz SCAQTFUQFPOFQP-BXUZGUMPSA-N -1 1 382.428 1.628 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001575227716 948831819 /nfs/dbraw/zinc/83/18/19/948831819.db2.gz YVKIEQYJKMEOBR-MNOVXSKESA-N -1 1 378.387 1.272 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001575227716 948831840 /nfs/dbraw/zinc/83/18/40/948831840.db2.gz YVKIEQYJKMEOBR-MNOVXSKESA-N -1 1 378.387 1.272 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2C[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001575227693 948832432 /nfs/dbraw/zinc/83/24/32/948832432.db2.gz YKFBONTUGLPFSC-MGCOHNPYSA-N -1 1 378.387 1.399 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2C[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575227693 948832438 /nfs/dbraw/zinc/83/24/38/948832438.db2.gz YKFBONTUGLPFSC-MGCOHNPYSA-N -1 1 378.387 1.399 20 0 GDADMM CC(C)c1nc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)cs1 ZINC001574424120 948838611 /nfs/dbraw/zinc/83/86/11/948838611.db2.gz FPZWVXRBVRDCRZ-SNVBAGLBSA-N -1 1 385.457 1.563 20 0 GDADMM CC(C)c1nc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)cs1 ZINC001574424120 948838633 /nfs/dbraw/zinc/83/86/33/948838633.db2.gz FPZWVXRBVRDCRZ-SNVBAGLBSA-N -1 1 385.457 1.563 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cn1ncc2ccccc21 ZINC001574683127 948842093 /nfs/dbraw/zinc/84/20/93/948842093.db2.gz UVHXRUWPWWKJSU-LBPRGKRZSA-N -1 1 392.427 1.013 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cn1ncc2ccccc21 ZINC001574683127 948842100 /nfs/dbraw/zinc/84/21/00/948842100.db2.gz UVHXRUWPWWKJSU-LBPRGKRZSA-N -1 1 392.427 1.013 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1)C(F)F ZINC001573762269 948851373 /nfs/dbraw/zinc/85/13/73/948851373.db2.gz QXEMLDBWYGGJTI-PHIMTYICSA-N -1 1 392.414 1.518 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1)C(F)F ZINC001573762269 948851386 /nfs/dbraw/zinc/85/13/86/948851386.db2.gz QXEMLDBWYGGJTI-PHIMTYICSA-N -1 1 392.414 1.518 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccc2c(c1)COC2 ZINC001574683338 948851870 /nfs/dbraw/zinc/85/18/70/948851870.db2.gz XXOHEIJVZGKFOG-LLVKDONJSA-N -1 1 380.412 1.307 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccc2c(c1)COC2 ZINC001574683338 948851889 /nfs/dbraw/zinc/85/18/89/948851889.db2.gz XXOHEIJVZGKFOG-LLVKDONJSA-N -1 1 380.412 1.307 20 0 GDADMM CC(C)c1nc(C(=O)NC[C@H](C)N(C)c2ccnc(-c3nn[n-]n3)n2)cs1 ZINC001574424565 948853473 /nfs/dbraw/zinc/85/34/73/948853473.db2.gz QDNSTWFNEZOUON-JTQLQIEISA-N -1 1 387.473 1.491 20 0 GDADMM C[C@@H](CNC(=O)CCCc1ccccn1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574918786 948857452 /nfs/dbraw/zinc/85/74/52/948857452.db2.gz QHIPRKUTMHNFDH-ZDUSSCGKSA-N -1 1 381.444 1.016 20 0 GDADMM CC(F)(F)CC(=O)NCCC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001575229952 948865418 /nfs/dbraw/zinc/86/54/18/948865418.db2.gz WRPKUIKIFGUGTG-UHFFFAOYSA-N -1 1 380.403 1.425 20 0 GDADMM CC(F)(F)CC(=O)NCCC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001575229952 948865438 /nfs/dbraw/zinc/86/54/38/948865438.db2.gz WRPKUIKIFGUGTG-UHFFFAOYSA-N -1 1 380.403 1.425 20 0 GDADMM CC(C)c1nc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)cs1 ZINC001574424944 948866421 /nfs/dbraw/zinc/86/64/21/948866421.db2.gz YCULMOJVAQGSBM-UHFFFAOYSA-N -1 1 385.457 1.199 20 0 GDADMM CC(C)c1nc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)cs1 ZINC001574424944 948866427 /nfs/dbraw/zinc/86/64/27/948866427.db2.gz YCULMOJVAQGSBM-UHFFFAOYSA-N -1 1 385.457 1.199 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)c1cccnc1 ZINC001574684421 948867962 /nfs/dbraw/zinc/86/79/62/948867962.db2.gz FZAAVZHRVUQUHP-MRVPVSSYSA-N -1 1 378.849 1.992 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)c1cccnc1 ZINC001574684421 948867984 /nfs/dbraw/zinc/86/79/84/948867984.db2.gz FZAAVZHRVUQUHP-MRVPVSSYSA-N -1 1 378.849 1.992 20 0 GDADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)N(C)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574083200 948875650 /nfs/dbraw/zinc/87/56/50/948875650.db2.gz PZUNJFVBWJVSTK-AUUYWEPGSA-N -1 1 384.488 1.766 20 0 GDADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)N(C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574083200 948875666 /nfs/dbraw/zinc/87/56/66/948875666.db2.gz PZUNJFVBWJVSTK-AUUYWEPGSA-N -1 1 384.488 1.766 20 0 GDADMM CC(F)(F)CCC(=O)N1C[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001575234779 948905282 /nfs/dbraw/zinc/90/52/82/948905282.db2.gz FHWUBFBPDQKSLP-NEPJUHHUSA-N -1 1 392.414 1.377 20 0 GDADMM CC(F)(F)CCC(=O)N1C[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001575234779 948905292 /nfs/dbraw/zinc/90/52/92/948905292.db2.gz FHWUBFBPDQKSLP-NEPJUHHUSA-N -1 1 392.414 1.377 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)C1=CCOCC1 ZINC001574685392 948906953 /nfs/dbraw/zinc/90/69/53/948906953.db2.gz VDCHYAYFQQFQJP-MRVPVSSYSA-N -1 1 383.865 1.630 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)C1=CCOCC1 ZINC001574685392 948906960 /nfs/dbraw/zinc/90/69/60/948906960.db2.gz VDCHYAYFQQFQJP-MRVPVSSYSA-N -1 1 383.865 1.630 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@@H]2[C@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575234849 948909676 /nfs/dbraw/zinc/90/96/76/948909676.db2.gz HLHFZPDIXTVXJC-VXGBXAGGSA-N -1 1 392.414 1.519 20 0 GDADMM CC(C)(C(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)c1ccccc1 ZINC001573765476 948912920 /nfs/dbraw/zinc/91/29/20/948912920.db2.gz JFIJLIWMGMLRGC-UHFFFAOYSA-N -1 1 392.467 1.673 20 0 GDADMM CC(C)(C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1)c1ccccc1 ZINC001573765607 948916123 /nfs/dbraw/zinc/91/61/23/948916123.db2.gz RRRCZZTUWKKFCQ-UHFFFAOYSA-N -1 1 378.440 1.283 20 0 GDADMM CC(C)(C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1)c1ccccc1 ZINC001573765607 948916137 /nfs/dbraw/zinc/91/61/37/948916137.db2.gz RRRCZZTUWKKFCQ-UHFFFAOYSA-N -1 1 378.440 1.283 20 0 GDADMM CC[C@](O)(C[N@H+]1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-])C(F)(F)F ZINC001589572385 948916532 /nfs/dbraw/zinc/91/65/32/948916532.db2.gz DDLJYEWYUSNSRG-FYBVGQRMSA-N -1 1 380.285 1.286 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001575235484 948919925 /nfs/dbraw/zinc/91/99/25/948919925.db2.gz MIYBWLUEVPJNOR-NEPJUHHUSA-N -1 1 392.414 1.662 20 0 GDADMM CC(C)(C(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C(F)(F)F ZINC001573765711 948920920 /nfs/dbraw/zinc/92/09/20/948920920.db2.gz ZKTVUHHSKGTSEN-UHFFFAOYSA-N -1 1 384.366 1.284 20 0 GDADMM CC(F)(F)CCC(=O)N[C@]12CCC[C@@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001575235562 948922883 /nfs/dbraw/zinc/92/28/83/948922883.db2.gz OWVTWVINMIDKKO-SJCJKPOMSA-N -1 1 392.414 1.710 20 0 GDADMM CC(F)(F)CCC(=O)N[C@]12CCC[C@@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001575235562 948922890 /nfs/dbraw/zinc/92/28/90/948922890.db2.gz OWVTWVINMIDKKO-SJCJKPOMSA-N -1 1 392.414 1.710 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)N1CCC(CN(C)c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574088678 948932762 /nfs/dbraw/zinc/93/27/62/948932762.db2.gz CBDVRQHAHBHSSV-GJZGRUSLSA-N -1 1 384.488 1.624 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)N1CCC(CN(C)c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574088678 948932773 /nfs/dbraw/zinc/93/27/73/948932773.db2.gz CBDVRQHAHBHSSV-GJZGRUSLSA-N -1 1 384.488 1.624 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1)C(F)F ZINC001573771090 948936682 /nfs/dbraw/zinc/93/66/82/948936682.db2.gz BNZZZENSKYBTGO-VHSXEESVSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1)C(F)F ZINC001573771090 948936688 /nfs/dbraw/zinc/93/66/88/948936688.db2.gz BNZZZENSKYBTGO-VHSXEESVSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)C(F)F ZINC001573771316 948940102 /nfs/dbraw/zinc/94/01/02/948940102.db2.gz FYSKTVPIKJGFOG-FGWVZKOKSA-N -1 1 392.414 1.564 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)C(F)F ZINC001573771489 948941274 /nfs/dbraw/zinc/94/12/74/948941274.db2.gz IVWQVQRCEMUNMB-NXEZZACHSA-N -1 1 380.403 1.787 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)C(F)F ZINC001573771489 948941282 /nfs/dbraw/zinc/94/12/82/948941282.db2.gz IVWQVQRCEMUNMB-NXEZZACHSA-N -1 1 380.403 1.787 20 0 GDADMM CC(C)[C@]1(C)C[C@H]1C(=O)NC1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574089371 948955217 /nfs/dbraw/zinc/95/52/17/948955217.db2.gz JPHFAIODFDLSAQ-DJJJIMSYSA-N -1 1 384.488 1.814 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575239046 948958558 /nfs/dbraw/zinc/95/85/58/948958558.db2.gz PRLVNWWXNOEUIW-GHMZBOCLSA-N -1 1 380.403 1.353 20 0 GDADMM CC(F)(F)CCC(=O)NCC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575239457 948962455 /nfs/dbraw/zinc/96/24/55/948962455.db2.gz SQJXDHNAGCNUGB-LLVKDONJSA-N -1 1 380.403 1.425 20 0 GDADMM CC(F)(F)CCC(=O)NCC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575239457 948962463 /nfs/dbraw/zinc/96/24/63/948962463.db2.gz SQJXDHNAGCNUGB-LLVKDONJSA-N -1 1 380.403 1.425 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2)C(F)F ZINC001573772566 948962731 /nfs/dbraw/zinc/96/27/31/948962731.db2.gz UZTXZVPMCMMYDI-SNVBAGLBSA-N -1 1 392.414 1.423 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575239821 948963954 /nfs/dbraw/zinc/96/39/54/948963954.db2.gz VNXVQUUNPFOYPN-MNOVXSKESA-N -1 1 380.403 1.931 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575239821 948963963 /nfs/dbraw/zinc/96/39/63/948963963.db2.gz VNXVQUUNPFOYPN-MNOVXSKESA-N -1 1 380.403 1.931 20 0 GDADMM CC(C)c1ncsc1C(=O)NC[C@@H](C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574433777 948964249 /nfs/dbraw/zinc/96/42/49/948964249.db2.gz PZVHUDBUHZHLSU-SNVBAGLBSA-N -1 1 387.473 1.491 20 0 GDADMM CC(C)c1ncsc1C(=O)NC[C@@H](C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574433777 948964258 /nfs/dbraw/zinc/96/42/58/948964258.db2.gz PZVHUDBUHZHLSU-SNVBAGLBSA-N -1 1 387.473 1.491 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C(F)F ZINC001573772603 948965201 /nfs/dbraw/zinc/96/52/01/948965201.db2.gz VWMSEZJQPWOEMT-VHSXEESVSA-N -1 1 380.403 1.209 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)NC1(CNc2ccnc(-c3nn[n-]n3)n2)CCCCC1 ZINC001574090855 948997954 /nfs/dbraw/zinc/99/79/54/948997954.db2.gz JQPGPILABHMDQB-KBPBESRZSA-N -1 1 384.488 1.602 20 0 GDADMM CC(C)(C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1)c1cccnc1 ZINC001573774097 949000751 /nfs/dbraw/zinc/00/07/51/949000751.db2.gz KFJAAKCCGJAROM-UHFFFAOYSA-N -1 1 379.428 1.090 20 0 GDADMM CC(C)(C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1)c1cccnc1 ZINC001573774097 949000760 /nfs/dbraw/zinc/00/07/60/949000760.db2.gz KFJAAKCCGJAROM-UHFFFAOYSA-N -1 1 379.428 1.090 20 0 GDADMM CC(C)c1nnsc1C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574439469 949006742 /nfs/dbraw/zinc/00/67/42/949006742.db2.gz FNCKCMRTFNSTNX-DTORHVGOSA-N -1 1 386.445 1.005 20 0 GDADMM CC(C)c1nnsc1C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574439469 949006758 /nfs/dbraw/zinc/00/67/58/949006758.db2.gz FNCKCMRTFNSTNX-DTORHVGOSA-N -1 1 386.445 1.005 20 0 GDADMM CC(C)(C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CC1)c1ccccc1 ZINC001573774339 949007207 /nfs/dbraw/zinc/00/72/07/949007207.db2.gz MWZRZQWHVXCOBV-UHFFFAOYSA-N -1 1 378.440 1.695 20 0 GDADMM CC(C)(C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CC1)c1ccccc1 ZINC001573774339 949007219 /nfs/dbraw/zinc/00/72/19/949007219.db2.gz MWZRZQWHVXCOBV-UHFFFAOYSA-N -1 1 378.440 1.695 20 0 GDADMM CC(C)(C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nn1)C1CCCCC1 ZINC001573774467 949007932 /nfs/dbraw/zinc/00/79/32/949007932.db2.gz SACYHZIDCARJLA-ZDUSSCGKSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)(C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nn1)C1CCCCC1 ZINC001573774467 949007941 /nfs/dbraw/zinc/00/79/41/949007941.db2.gz SACYHZIDCARJLA-ZDUSSCGKSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)c1nnsc1C(=O)N[C@@H](C)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574439814 949014488 /nfs/dbraw/zinc/01/44/88/949014488.db2.gz JBOVZNPPAOXRGI-BDAKNGLRSA-N -1 1 388.461 1.251 20 0 GDADMM CC(C)c1nnsc1C(=O)N[C@@H](C)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574439814 949014504 /nfs/dbraw/zinc/01/45/04/949014504.db2.gz JBOVZNPPAOXRGI-BDAKNGLRSA-N -1 1 388.461 1.251 20 0 GDADMM CC(C)c1nnsc1C(=O)N[C@@H](C)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574439860 949019918 /nfs/dbraw/zinc/01/99/18/949019918.db2.gz KPMVQRUUJCPJGD-BDAKNGLRSA-N -1 1 388.461 1.251 20 0 GDADMM CC(C)c1nnsc1C(=O)N[C@@H](C)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574439860 949019939 /nfs/dbraw/zinc/01/99/39/949019939.db2.gz KPMVQRUUJCPJGD-BDAKNGLRSA-N -1 1 388.461 1.251 20 0 GDADMM CC(C)[C@]1(C)C[C@H]1C(=O)NCCC1(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574091667 949025328 /nfs/dbraw/zinc/02/53/28/949025328.db2.gz PZSJMHNKFODEOD-UGSOOPFHSA-N -1 1 384.488 1.459 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1COc2ccccc21 ZINC001574691457 949027875 /nfs/dbraw/zinc/02/78/75/949027875.db2.gz XWXSJEJLCDXOBZ-DGCLKSJQSA-N -1 1 380.412 1.140 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1COc2ccccc21 ZINC001574691457 949027894 /nfs/dbraw/zinc/02/78/94/949027894.db2.gz XWXSJEJLCDXOBZ-DGCLKSJQSA-N -1 1 380.412 1.140 20 0 GDADMM CC(C)(C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCC1)C(F)(F)F ZINC001573775038 949029366 /nfs/dbraw/zinc/02/93/66/949029366.db2.gz SIYWPYAUOWRDPX-UHFFFAOYSA-N -1 1 384.366 1.696 20 0 GDADMM CC(C)(C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCC1)C(F)(F)F ZINC001573775038 949029386 /nfs/dbraw/zinc/02/93/86/949029386.db2.gz SIYWPYAUOWRDPX-UHFFFAOYSA-N -1 1 384.366 1.696 20 0 GDADMM C[C@H](Sc1ccccc1C(=O)NCc1ccc(-c2nn[n-]n2)s1)C(N)=O ZINC001575502856 949031147 /nfs/dbraw/zinc/03/11/47/949031147.db2.gz LDYYZIRBIHLZNI-VIFPVBQESA-N -1 1 388.478 1.824 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)N1CCC(CCNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574091921 949041249 /nfs/dbraw/zinc/04/12/49/949041249.db2.gz MUHGUJOIWIYIDT-LSDHHAIUSA-N -1 1 384.488 1.411 20 0 GDADMM CC(C)(C(=O)NC[C@@H](O)CNc1nccnc1-c1nnn[n-]1)C1CCCCC1 ZINC001573775483 949042695 /nfs/dbraw/zinc/04/26/95/949042695.db2.gz XLMXQDFZDOEHBI-ZDUSSCGKSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)(C(=O)NC[C@@H](O)CNc1nccnc1-c1nn[n-]n1)C1CCCCC1 ZINC001573775483 949042715 /nfs/dbraw/zinc/04/27/15/949042715.db2.gz XLMXQDFZDOEHBI-ZDUSSCGKSA-N -1 1 388.476 1.152 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)CCc1ccc(F)cc1 ZINC001574693146 949050212 /nfs/dbraw/zinc/05/02/12/949050212.db2.gz AXVXIUNIOXWIGD-GFCCVEGCSA-N -1 1 384.419 1.735 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)CCc1ccc(F)cc1 ZINC001574693146 949050234 /nfs/dbraw/zinc/05/02/34/949050234.db2.gz AXVXIUNIOXWIGD-GFCCVEGCSA-N -1 1 384.419 1.735 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573779002 949051800 /nfs/dbraw/zinc/05/18/00/949051800.db2.gz CARHKYXLKWCFKN-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573779002 949051819 /nfs/dbraw/zinc/05/18/19/949051819.db2.gz CARHKYXLKWCFKN-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574441166 949052509 /nfs/dbraw/zinc/05/25/09/949052509.db2.gz GOYGADKHZPQNIT-XYPYZODXSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574441166 949052527 /nfs/dbraw/zinc/05/25/27/949052527.db2.gz GOYGADKHZPQNIT-XYPYZODXSA-N -1 1 383.416 1.389 20 0 GDADMM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)c1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1 ZINC001575503880 949054793 /nfs/dbraw/zinc/05/47/93/949054793.db2.gz MXJZXGHQJMHZCH-VHSXEESVSA-N -1 1 389.847 1.536 20 0 GDADMM CC(C)[C@@H]1C[C@H](CC(=O)N(C)CCNc2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC001574092306 949055726 /nfs/dbraw/zinc/05/57/26/949055726.db2.gz NOWZLGJTDNSNRI-HIFRSBDPSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)[C@@H]1C[C@H](CC(=O)N(C)CCNc2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC001574092306 949055744 /nfs/dbraw/zinc/05/57/44/949055744.db2.gz NOWZLGJTDNSNRI-HIFRSBDPSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)c1occc1C(=O)N(C)CCCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574441681 949066842 /nfs/dbraw/zinc/06/68/42/949066842.db2.gz SBMNBXZTSOTGLF-UHFFFAOYSA-N -1 1 384.444 1.972 20 0 GDADMM CC(C)c1occc1C(=O)N(C)CCCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574441681 949066857 /nfs/dbraw/zinc/06/68/57/949066857.db2.gz SBMNBXZTSOTGLF-UHFFFAOYSA-N -1 1 384.444 1.972 20 0 GDADMM CC(C)c1nocc1C(=O)NCC1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574441931 949080556 /nfs/dbraw/zinc/08/05/56/949080556.db2.gz GBCQMUAXECNWHM-UHFFFAOYSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1nocc1C(=O)NCC1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574441931 949080566 /nfs/dbraw/zinc/08/05/66/949080566.db2.gz GBCQMUAXECNWHM-UHFFFAOYSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCCN1c1nccnc1-c1nnn[n-]1)C1CCC1 ZINC001573780439 949094022 /nfs/dbraw/zinc/09/40/22/949094022.db2.gz ZLURMGSJQSNLDF-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCCN1c1nccnc1-c1nn[n-]n1)C1CCC1 ZINC001573780439 949094037 /nfs/dbraw/zinc/09/40/37/949094037.db2.gz ZLURMGSJQSNLDF-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)NCC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1CCC1 ZINC001573781224 949104017 /nfs/dbraw/zinc/10/40/17/949104017.db2.gz DYDQXJLFUZIXNM-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C(=O)NCC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1CCC1 ZINC001573781224 949104027 /nfs/dbraw/zinc/10/40/27/949104027.db2.gz DYDQXJLFUZIXNM-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)c1ccccc1)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575250325 949111441 /nfs/dbraw/zinc/11/14/41/949111441.db2.gz DUXRJWPENMRQKB-CHWSQXEVSA-N -1 1 380.456 1.940 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)c1ccccc1)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575250325 949111455 /nfs/dbraw/zinc/11/14/55/949111455.db2.gz DUXRJWPENMRQKB-CHWSQXEVSA-N -1 1 380.456 1.940 20 0 GDADMM C[C@@H](CNC(=O)COCC1CC1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574931115 949113471 /nfs/dbraw/zinc/11/34/71/949113471.db2.gz NNELSGUXJXOMLU-QMMMGPOBSA-N -1 1 385.881 1.567 20 0 GDADMM CC(C)c1occc1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1 ZINC001574445991 949114571 /nfs/dbraw/zinc/11/45/71/949114571.db2.gz DZMKEOGGSXXEBT-RYUDHWBXSA-N -1 1 380.412 1.476 20 0 GDADMM CC(C)(C(=O)NCC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573782023 949116555 /nfs/dbraw/zinc/11/65/55/949116555.db2.gz OTAVGDZDLWXOSH-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C(=O)NCCN(c1cnc(-c2nnn[n-]2)cn1)C1CC1)C(F)(F)F ZINC001573782316 949118949 /nfs/dbraw/zinc/11/89/49/949118949.db2.gz RBELIXHBFDRBJH-UHFFFAOYSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(C(=O)NCCN(c1cnc(-c2nn[n-]n2)cn1)C1CC1)C(F)(F)F ZINC001573782316 949118962 /nfs/dbraw/zinc/11/89/62/949118962.db2.gz RBELIXHBFDRBJH-UHFFFAOYSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001573782505 949123147 /nfs/dbraw/zinc/12/31/47/949123147.db2.gz APDBKTGJPXHQMR-CTYIDZIISA-N -1 1 392.467 1.363 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1)C(F)F ZINC001573782524 949123547 /nfs/dbraw/zinc/12/35/47/949123547.db2.gz BODDKWIDZNNTKQ-NXEZZACHSA-N -1 1 380.403 1.209 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)NCc1ccc(CNc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001574094231 949132636 /nfs/dbraw/zinc/13/26/36/949132636.db2.gz YGTGKWNZPIIUON-CVEARBPZSA-N -1 1 392.467 1.599 20 0 GDADMM CC[C@@]1(C(=O)[O-])CCCN(C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC001589596090 949145419 /nfs/dbraw/zinc/14/54/19/949145419.db2.gz IUUHNLLZIXDOEO-GOSISDBHSA-N -1 1 375.450 1.789 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574446954 949145806 /nfs/dbraw/zinc/14/58/06/949145806.db2.gz CMRGCGLSASEZKU-XYPYZODXSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574446954 949145818 /nfs/dbraw/zinc/14/58/18/949145818.db2.gz CMRGCGLSASEZKU-XYPYZODXSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)[C@H]1CCCCO1 ZINC001573786831 949151430 /nfs/dbraw/zinc/15/14/30/949151430.db2.gz DYBVZZVFVQBAKT-MBNYWOFBSA-N -1 1 386.460 1.311 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)[C@H]1CCCCO1 ZINC001573786831 949151442 /nfs/dbraw/zinc/15/14/42/949151442.db2.gz DYBVZZVFVQBAKT-MBNYWOFBSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H](CNC(=O)COc1cccc(Cl)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574934864 949184111 /nfs/dbraw/zinc/18/41/11/949184111.db2.gz SYRZFSPWCGCPBP-JTQLQIEISA-N -1 1 388.819 1.306 20 0 GDADMM C[C@@H](CNC(=O)COc1cccc(Cl)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574934864 949184127 /nfs/dbraw/zinc/18/41/27/949184127.db2.gz SYRZFSPWCGCPBP-JTQLQIEISA-N -1 1 388.819 1.306 20 0 GDADMM CC(C)CC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1c1cnc(-c2nnn[n-]2)cn1 ZINC001574102727 949203706 /nfs/dbraw/zinc/20/37/06/949203706.db2.gz ACYDQZSPFBOGSV-FQLMCAECSA-N -1 1 382.472 1.376 20 0 GDADMM CC(C)CC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1c1cnc(-c2nn[n-]n2)cn1 ZINC001574102727 949203723 /nfs/dbraw/zinc/20/37/23/949203723.db2.gz ACYDQZSPFBOGSV-FQLMCAECSA-N -1 1 382.472 1.376 20 0 GDADMM C[C@H](CNC(=O)C[C@@H]1C[C@H]1Cc1ccccc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574935682 949204034 /nfs/dbraw/zinc/20/40/34/949204034.db2.gz FFIBTJPKFITNFK-BMFZPTHFSA-N -1 1 392.467 1.842 20 0 GDADMM C[C@H](CNC(=O)C[C@@H]1C[C@H]1Cc1ccccc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574935682 949204054 /nfs/dbraw/zinc/20/40/54/949204054.db2.gz FFIBTJPKFITNFK-BMFZPTHFSA-N -1 1 392.467 1.842 20 0 GDADMM C[C@@H](CNC(=O)Cc1c(F)cccc1F)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574936800 949219773 /nfs/dbraw/zinc/21/97/73/949219773.db2.gz KYRIDQJCMGWETG-JTQLQIEISA-N -1 1 388.382 1.119 20 0 GDADMM C[C@@H](CNC(=O)Cc1c(F)cccc1F)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574936800 949219795 /nfs/dbraw/zinc/21/97/95/949219795.db2.gz KYRIDQJCMGWETG-JTQLQIEISA-N -1 1 388.382 1.119 20 0 GDADMM CC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001575854381 949230251 /nfs/dbraw/zinc/23/02/51/949230251.db2.gz TVFFTGHEANNYLL-MJBXVCDLSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001575854381 949230273 /nfs/dbraw/zinc/23/02/73/949230273.db2.gz TVFFTGHEANNYLL-MJBXVCDLSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@H]1CCC[C@H](C(=O)N2C[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]3C2)C1 ZINC001576151684 949232734 /nfs/dbraw/zinc/23/27/34/949232734.db2.gz IANVOISOYDTTFM-ZQDZILKHSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H]1CCC[C@H](C(=O)N2C[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]3C2)C1 ZINC001576151684 949232753 /nfs/dbraw/zinc/23/27/53/949232753.db2.gz IANVOISOYDTTFM-ZQDZILKHSA-N -1 1 382.472 1.378 20 0 GDADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)CCn2cccc2)CC1 ZINC001575856137 949243590 /nfs/dbraw/zinc/24/35/90/949243590.db2.gz DFABGTJCVJEYGL-UHFFFAOYSA-N -1 1 381.444 1.342 20 0 GDADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)CCn2cccc2)CC1 ZINC001575856137 949243617 /nfs/dbraw/zinc/24/36/17/949243617.db2.gz DFABGTJCVJEYGL-UHFFFAOYSA-N -1 1 381.444 1.342 20 0 GDADMM C[C@H]1CCC[C@]1(C)C(=O)N(C)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001576152344 949249090 /nfs/dbraw/zinc/24/90/90/949249090.db2.gz IPWLRNWMPVQDJV-DJJJIMSYSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CCC[C@]1(C)C(=O)N(C)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001576152344 949249105 /nfs/dbraw/zinc/24/91/05/949249105.db2.gz IPWLRNWMPVQDJV-DJJJIMSYSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](NC(=O)C1(c2cccnc2)CC1)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575256437 949252920 /nfs/dbraw/zinc/25/29/20/949252920.db2.gz VIQGGGRQPUPENI-VXGBXAGGSA-N -1 1 379.428 1.089 20 0 GDADMM C[C@@H](NC(=O)C1(c2cccnc2)CC1)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575256437 949252942 /nfs/dbraw/zinc/25/29/42/949252942.db2.gz VIQGGGRQPUPENI-VXGBXAGGSA-N -1 1 379.428 1.089 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H](C)c1cccc(F)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001574700297 949252876 /nfs/dbraw/zinc/25/28/76/949252876.db2.gz ZBRZTYYOJKDGHE-NEPJUHHUSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H](C)c1cccc(F)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001574700297 949252896 /nfs/dbraw/zinc/25/28/96/949252896.db2.gz ZBRZTYYOJKDGHE-NEPJUHHUSA-N -1 1 384.419 1.858 20 0 GDADMM CC(C)CC(=O)N1CCCC[C@@H]1[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574105436 949259274 /nfs/dbraw/zinc/25/92/74/949259274.db2.gz BAQJWTCPCRKRHY-LSDHHAIUSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CCC[C@]1(C)C(=O)NCC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001576152860 949263220 /nfs/dbraw/zinc/26/32/20/949263220.db2.gz KCWFVVNKDZMUBN-DJJJIMSYSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H]1CCC[C@]1(C)C(=O)NCC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001576152860 949263237 /nfs/dbraw/zinc/26/32/37/949263237.db2.gz KCWFVVNKDZMUBN-DJJJIMSYSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H]1CCC[C@]1(C)C(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001576152823 949263898 /nfs/dbraw/zinc/26/38/98/949263898.db2.gz JQTPEKZFVJLFTF-PJHJGJPPSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H]1CCC[C@]1(C)C(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001576152823 949263915 /nfs/dbraw/zinc/26/39/15/949263915.db2.gz JQTPEKZFVJLFTF-PJHJGJPPSA-N -1 1 382.472 1.378 20 0 GDADMM CC(C)(C)C(=O)N(CCNc1ccnc(-c2nn[n-]n2)n1)Cc1ccccc1 ZINC001573792877 949271324 /nfs/dbraw/zinc/27/13/24/949271324.db2.gz HEXFFNLDIPWVRT-UHFFFAOYSA-N -1 1 380.456 1.565 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCC(C)(Nc3nccnc3-c3nnn[n-]3)CC2)CC1 ZINC001575858037 949281445 /nfs/dbraw/zinc/28/14/45/949281445.db2.gz YZLQYXBUUGLOGF-UHFFFAOYSA-N -1 1 392.414 1.885 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCC(C)(Nc3nccnc3-c3nn[n-]n3)CC2)CC1 ZINC001575858037 949281463 /nfs/dbraw/zinc/28/14/63/949281463.db2.gz YZLQYXBUUGLOGF-UHFFFAOYSA-N -1 1 392.414 1.885 20 0 GDADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)COC2CCCC2)CC1 ZINC001575858049 949283085 /nfs/dbraw/zinc/28/30/85/949283085.db2.gz ZIEMIWYLXWJRAT-UHFFFAOYSA-N -1 1 386.460 1.409 20 0 GDADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)COC2CCCC2)CC1 ZINC001575858049 949283100 /nfs/dbraw/zinc/28/31/00/949283100.db2.gz ZIEMIWYLXWJRAT-UHFFFAOYSA-N -1 1 386.460 1.409 20 0 GDADMM CC(C)(C)C(=O)C(=O)N1CCC[C@@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573793345 949289771 /nfs/dbraw/zinc/28/97/71/949289771.db2.gz PLHNKJFMUUONBJ-LBPRGKRZSA-N -1 1 386.460 1.313 20 0 GDADMM CC(C)(C)C(=O)C(=O)N1CCC[C@@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573793345 949289794 /nfs/dbraw/zinc/28/97/94/949289794.db2.gz PLHNKJFMUUONBJ-LBPRGKRZSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](NC(=O)C1CC2(C1)CCOCC2)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575258123 949291368 /nfs/dbraw/zinc/29/13/68/949291368.db2.gz DZXVDGOGXGOQQH-NWDGAFQWSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@@H](NC(=O)C1CC2(C1)CCOCC2)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575258123 949291390 /nfs/dbraw/zinc/29/13/90/949291390.db2.gz DZXVDGOGXGOQQH-NWDGAFQWSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@]1(C)CCc2ccccc21)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574702839 949296509 /nfs/dbraw/zinc/29/65/09/949296509.db2.gz MRDFASKIJPJOGT-RBZFPXEDSA-N -1 1 392.467 1.242 20 0 GDADMM CC1=C(C)C[C@H](C(=O)NC[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575860493 949302799 /nfs/dbraw/zinc/30/27/99/949302799.db2.gz JHJNEOYJURTNAB-HUUCEWRRSA-N -1 1 382.472 1.736 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@]1(C)CCc2ccccc21)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574703104 949307346 /nfs/dbraw/zinc/30/73/46/949307346.db2.gz QUYBLYNOMGYFLY-RNODOKPDSA-N -1 1 392.467 1.820 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@]1(C)CCc2ccccc21)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574703104 949307366 /nfs/dbraw/zinc/30/73/66/949307366.db2.gz QUYBLYNOMGYFLY-RNODOKPDSA-N -1 1 392.467 1.820 20 0 GDADMM C[C@H](CN(C)C(=O)[C@]1(C)CCc2ccccc21)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574703106 949309845 /nfs/dbraw/zinc/30/98/45/949309845.db2.gz QUYBLYNOMGYFLY-ZUOKHONESA-N -1 1 392.467 1.820 20 0 GDADMM C[C@H](CN(C)C(=O)[C@]1(C)CCc2ccccc21)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574703106 949309871 /nfs/dbraw/zinc/30/98/71/949309871.db2.gz QUYBLYNOMGYFLY-ZUOKHONESA-N -1 1 392.467 1.820 20 0 GDADMM CC1(c2nnc(-c3cccnc3)o2)CN(C(=O)c2coc(-c3nnn[n-]3)c2)C1 ZINC001575860942 949315436 /nfs/dbraw/zinc/31/54/36/949315436.db2.gz NTNOUEBRCHOTMV-UHFFFAOYSA-N -1 1 378.352 1.318 20 0 GDADMM CC1(c2nnc(-c3cccnc3)o2)CN(C(=O)c2coc(-c3nn[n-]n3)c2)C1 ZINC001575860942 949315463 /nfs/dbraw/zinc/31/54/63/949315463.db2.gz NTNOUEBRCHOTMV-UHFFFAOYSA-N -1 1 378.352 1.318 20 0 GDADMM C[C@H](CN(C)C(=O)C1=COCCO1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574703625 949343834 /nfs/dbraw/zinc/34/38/34/949343834.db2.gz DUWXHRWDLMJUST-SSDOTTSWSA-N -1 1 385.837 1.124 20 0 GDADMM C[C@H](CN(C)C(=O)C1=COCCO1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574703625 949343856 /nfs/dbraw/zinc/34/38/56/949343856.db2.gz DUWXHRWDLMJUST-SSDOTTSWSA-N -1 1 385.837 1.124 20 0 GDADMM CC(C)n1ccc(C(=O)N2CCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)n1 ZINC001574458561 949344309 /nfs/dbraw/zinc/34/43/09/949344309.db2.gz SYWABPVWHRMHAA-GFCCVEGCSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1ccc(C(=O)N2CCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)n1 ZINC001574458561 949344325 /nfs/dbraw/zinc/34/43/25/949344325.db2.gz SYWABPVWHRMHAA-GFCCVEGCSA-N -1 1 382.432 1.151 20 0 GDADMM CC1=CC[C@@](C)(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575863261 949345699 /nfs/dbraw/zinc/34/56/99/949345699.db2.gz BDZPQVZHFGRJNS-IFXJQAMLSA-N -1 1 382.472 1.878 20 0 GDADMM CC1=CC[C@@](C)(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575863261 949345720 /nfs/dbraw/zinc/34/57/20/949345720.db2.gz BDZPQVZHFGRJNS-IFXJQAMLSA-N -1 1 382.472 1.878 20 0 GDADMM C[C@@H](NC(=O)C1=COCCC1)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575260140 949348733 /nfs/dbraw/zinc/34/87/33/949348733.db2.gz UZGPWDXFVATHHT-OLZOCXBDSA-N -1 1 384.444 1.072 20 0 GDADMM CC(C)CC(=O)N[C@@H]1[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)[C@@H]2C1(C)C ZINC001574111013 949370233 /nfs/dbraw/zinc/37/02/33/949370233.db2.gz CZKZXPIAYXOBHK-MAZHCROVSA-N -1 1 384.488 1.812 20 0 GDADMM CC(C)CC(=O)N[C@@H]1[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)[C@@H]2C1(C)C ZINC001574111013 949370254 /nfs/dbraw/zinc/37/02/54/949370254.db2.gz CZKZXPIAYXOBHK-MAZHCROVSA-N -1 1 384.488 1.812 20 0 GDADMM CC(C)n1cccc1C(=O)N(C)CCCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574460182 949373302 /nfs/dbraw/zinc/37/33/02/949373302.db2.gz RTCGBQBGLXMMFK-UHFFFAOYSA-N -1 1 383.460 1.638 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCCF ZINC001576155083 949379974 /nfs/dbraw/zinc/37/99/74/949379974.db2.gz GJNFDVJFVPUUDY-PXAZEXFGSA-N -1 1 376.440 1.883 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCCF ZINC001576155083 949379996 /nfs/dbraw/zinc/37/99/96/949379996.db2.gz GJNFDVJFVPUUDY-PXAZEXFGSA-N -1 1 376.440 1.883 20 0 GDADMM CC1(C(=O)N2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3N(c3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001575527979 949386430 /nfs/dbraw/zinc/38/64/30/949386430.db2.gz KMWYKLFCJJMJLL-XUXIUFHCSA-N -1 1 380.456 1.130 20 0 GDADMM CC1(C(=O)N2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3N(c3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001575527979 949386455 /nfs/dbraw/zinc/38/64/55/949386455.db2.gz KMWYKLFCJJMJLL-XUXIUFHCSA-N -1 1 380.456 1.130 20 0 GDADMM CC(C)n1cnc(C(=O)N2CC[C@H](CNc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001574463986 949391802 /nfs/dbraw/zinc/39/18/02/949391802.db2.gz DPGMPXKAMJYGCI-GFCCVEGCSA-N -1 1 382.432 1.008 20 0 GDADMM CC(C)n1cnc(C(=O)N2CC[C@H](CNc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001574463986 949391822 /nfs/dbraw/zinc/39/18/22/949391822.db2.gz DPGMPXKAMJYGCI-GFCCVEGCSA-N -1 1 382.432 1.008 20 0 GDADMM C[C@@H]1CCC[C@@H](OCC(=O)N[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001576155317 949394883 /nfs/dbraw/zinc/39/48/83/949394883.db2.gz UNGUMQWXPUFCGU-AAVRWANBSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H]1CCC[C@@H](OCC(=O)N[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001576155317 949394905 /nfs/dbraw/zinc/39/49/05/949394905.db2.gz UNGUMQWXPUFCGU-AAVRWANBSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H]1CCC[C@@H](C(=O)NCC2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576155835 949420029 /nfs/dbraw/zinc/42/00/29/949420029.db2.gz VLFFGEJEVIYTFV-UKRRQHHQSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H]1CCC[C@@H](C(=O)NCC2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001576155835 949420044 /nfs/dbraw/zinc/42/00/44/949420044.db2.gz VLFFGEJEVIYTFV-UKRRQHHQSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001574465108 949429247 /nfs/dbraw/zinc/42/92/47/949429247.db2.gz NUZIWPKQSMBRTL-ZDUSSCGKSA-N -1 1 381.444 1.660 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001574465108 949429263 /nfs/dbraw/zinc/42/92/63/949429263.db2.gz NUZIWPKQSMBRTL-ZDUSSCGKSA-N -1 1 381.444 1.660 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001574465178 949433017 /nfs/dbraw/zinc/43/30/17/949433017.db2.gz RNKNHFWFHZZIHK-ZDUSSCGKSA-N -1 1 381.444 1.438 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001574465178 949433036 /nfs/dbraw/zinc/43/30/36/949433036.db2.gz RNKNHFWFHZZIHK-ZDUSSCGKSA-N -1 1 381.444 1.438 20 0 GDADMM CC1(C(=O)N2CCC([C@H]3CCN(c4nccnc4-c4nnn[n-]4)C3)CC2)CC1 ZINC001575534799 949433251 /nfs/dbraw/zinc/43/32/51/949433251.db2.gz PUCKLXPBZWKRSF-AWEZNQCLSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C(=O)N2CCC([C@H]3CCN(c4nccnc4-c4nn[n-]n4)C3)CC2)CC1 ZINC001575534799 949433267 /nfs/dbraw/zinc/43/32/67/949433267.db2.gz PUCKLXPBZWKRSF-AWEZNQCLSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CC(C)(C)O ZINC001576156194 949437758 /nfs/dbraw/zinc/43/77/58/949437758.db2.gz MCVACSKZIGEDMD-KZULUSFZSA-N -1 1 388.476 1.295 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CC(C)(C)O ZINC001576156194 949437770 /nfs/dbraw/zinc/43/77/70/949437770.db2.gz MCVACSKZIGEDMD-KZULUSFZSA-N -1 1 388.476 1.295 20 0 GDADMM C[C@@H]1CCC[C@H](OCC(=O)N(C)CCN(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001576156472 949446022 /nfs/dbraw/zinc/44/60/22/949446022.db2.gz YQIVDJCJQIDICW-KGLIPLIRSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@@H]1CCC[C@H](OCC(=O)N(C)CCN(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001576156472 949446034 /nfs/dbraw/zinc/44/60/34/949446034.db2.gz YQIVDJCJQIDICW-KGLIPLIRSA-N -1 1 388.476 1.147 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@@H](Nc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001574465743 949449021 /nfs/dbraw/zinc/44/90/21/949449021.db2.gz YNSMNKFMJRFOBQ-CYBMUJFWSA-N -1 1 381.444 1.660 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@@H](Nc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001574465743 949449039 /nfs/dbraw/zinc/44/90/39/949449039.db2.gz YNSMNKFMJRFOBQ-CYBMUJFWSA-N -1 1 381.444 1.660 20 0 GDADMM CC(C)n1cnc(C(=O)NC[C@H]2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001574468509 949462399 /nfs/dbraw/zinc/46/23/99/949462399.db2.gz NEQYVLVBYZYQGT-TXEJJXNPSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cnc(C(=O)NC[C@H]2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001574468509 949462416 /nfs/dbraw/zinc/46/24/16/949462416.db2.gz NEQYVLVBYZYQGT-TXEJJXNPSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1nccc1C(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574470033 949489334 /nfs/dbraw/zinc/48/93/34/949489334.db2.gz LAGYWUQFFZUVGW-TXEJJXNPSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1nccc1C(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574470033 949489348 /nfs/dbraw/zinc/48/93/48/949489348.db2.gz LAGYWUQFFZUVGW-TXEJJXNPSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@H](CNC(=O)Cn1cccn1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574949430 949493763 /nfs/dbraw/zinc/49/37/63/949493763.db2.gz WFZRUPNJSWCQOD-MRVPVSSYSA-N -1 1 381.853 1.038 20 0 GDADMM C[C@H](CNC(=O)Cn1cccn1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574949430 949493773 /nfs/dbraw/zinc/49/37/73/949493773.db2.gz WFZRUPNJSWCQOD-MRVPVSSYSA-N -1 1 381.853 1.038 20 0 GDADMM CC1(C(=O)N2CC[C@H]3[C@H](CCN3c3ccnc(-c4nn[n-]n4)n3)C2)CCCC1 ZINC001575537732 949497267 /nfs/dbraw/zinc/49/72/67/949497267.db2.gz ARNFHYGSVNOQSW-KGLIPLIRSA-N -1 1 382.472 1.664 20 0 GDADMM CC(C)CC(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCC1(F)F ZINC001574119193 949498608 /nfs/dbraw/zinc/49/86/08/949498608.db2.gz IYOQJYWNTXFSSV-LLVKDONJSA-N -1 1 380.403 1.281 20 0 GDADMM CC(C)CC(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCC1(F)F ZINC001574119193 949498622 /nfs/dbraw/zinc/49/86/22/949498622.db2.gz IYOQJYWNTXFSSV-LLVKDONJSA-N -1 1 380.403 1.281 20 0 GDADMM C[C@@H]1CCC[C@@H]1CC(=O)NC1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576158818 949504465 /nfs/dbraw/zinc/50/44/65/949504465.db2.gz UTJWZUCGKMWLOK-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2(F)CCCCC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575871499 949510754 /nfs/dbraw/zinc/51/07/54/949510754.db2.gz ABVBWVZLLZJCFF-CHWSQXEVSA-N -1 1 388.451 1.803 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2(F)CCCCC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575871499 949510770 /nfs/dbraw/zinc/51/07/70/949510770.db2.gz ABVBWVZLLZJCFF-CHWSQXEVSA-N -1 1 388.451 1.803 20 0 GDADMM CC(C)CC(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCC1(F)F ZINC001574121486 949516769 /nfs/dbraw/zinc/51/67/69/949516769.db2.gz RIMXRYKTYCPWMH-LLVKDONJSA-N -1 1 380.403 1.281 20 0 GDADMM CC(C)CC(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCC1(F)F ZINC001574121486 949516754 /nfs/dbraw/zinc/51/67/54/949516754.db2.gz RIMXRYKTYCPWMH-LLVKDONJSA-N -1 1 380.403 1.281 20 0 GDADMM C[C@H](NC(=O)CCC(F)F)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575268574 949524853 /nfs/dbraw/zinc/52/48/53/949524853.db2.gz NXDLBZKVRLPBTN-QWRGUYRKSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H](NC(=O)CCC(F)F)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575268574 949524869 /nfs/dbraw/zinc/52/48/69/949524869.db2.gz NXDLBZKVRLPBTN-QWRGUYRKSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC(C)(F)F)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576163843 949539860 /nfs/dbraw/zinc/53/98/60/949539860.db2.gz CWGAQFKFSOBJCF-ZYHUDNBSSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC(C)(F)F)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576163843 949539873 /nfs/dbraw/zinc/53/98/73/949539873.db2.gz CWGAQFKFSOBJCF-ZYHUDNBSSA-N -1 1 380.403 1.741 20 0 GDADMM CC1(C(=O)N2CCC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CC(F)(F)C1 ZINC001575539302 949541040 /nfs/dbraw/zinc/54/10/40/949541040.db2.gz OGZGJFDBAYSZIJ-JTQLQIEISA-N -1 1 378.387 1.495 20 0 GDADMM CC1(C(=O)N2CCC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CC(F)(F)C1 ZINC001575539302 949541054 /nfs/dbraw/zinc/54/10/54/949541054.db2.gz OGZGJFDBAYSZIJ-JTQLQIEISA-N -1 1 378.387 1.495 20 0 GDADMM C[C@@H](CC(=O)N(C)C1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001574471885 949542444 /nfs/dbraw/zinc/54/24/44/949542444.db2.gz OOZYQMLPOKOZHE-IDKOKCKLSA-N -1 1 384.366 1.647 20 0 GDADMM C[C@@H](CC(=O)N(C)C1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001574471885 949542464 /nfs/dbraw/zinc/54/24/64/949542464.db2.gz OOZYQMLPOKOZHE-IDKOKCKLSA-N -1 1 384.366 1.647 20 0 GDADMM C[C@H]1CCCN(C(=O)C2(F)CCCC2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576164548 949555498 /nfs/dbraw/zinc/55/54/98/949555498.db2.gz HCCKZKDPFGDYFA-JSGCOSHPSA-N -1 1 388.451 1.978 20 0 GDADMM C[C@H]1CCCN(C(=O)C2(F)CCCC2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576164548 949555507 /nfs/dbraw/zinc/55/55/07/949555507.db2.gz HCCKZKDPFGDYFA-JSGCOSHPSA-N -1 1 388.451 1.978 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C23CCC(CC2)C3)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575872900 949560568 /nfs/dbraw/zinc/56/05/68/949560568.db2.gz LYSDUFAZNZDZSK-PNBPBRNGSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C23CCC(CC2)C3)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575872900 949560580 /nfs/dbraw/zinc/56/05/80/949560580.db2.gz LYSDUFAZNZDZSK-PNBPBRNGSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H](CC(=O)N(C)[C@@H](C)CNc1nccnc1-c1nnn[n-]1)c1ccncc1 ZINC001574473235 949563932 /nfs/dbraw/zinc/56/39/32/949563932.db2.gz YXUHUFSGFHQVKR-OLZOCXBDSA-N -1 1 381.444 1.504 20 0 GDADMM C[C@H](CC(=O)N(C)[C@@H](C)CNc1nccnc1-c1nn[n-]n1)c1ccncc1 ZINC001574473235 949563946 /nfs/dbraw/zinc/56/39/46/949563946.db2.gz YXUHUFSGFHQVKR-OLZOCXBDSA-N -1 1 381.444 1.504 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CC2CC(F)(F)C2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575873104 949565944 /nfs/dbraw/zinc/56/59/44/949565944.db2.gz NHJVPTIYXHFDLA-PWSUYJOCSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CC2CC(F)(F)C2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575873104 949565960 /nfs/dbraw/zinc/56/59/60/949565960.db2.gz NHJVPTIYXHFDLA-PWSUYJOCSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@@]1(C(=O)N2CCC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)CCCOC1 ZINC001575540271 949567205 /nfs/dbraw/zinc/56/72/05/949567205.db2.gz WHJDJGYXLUFCQQ-FZKQIMNGSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@@]1(C(=O)N2CCC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)CCCOC1 ZINC001575540271 949567224 /nfs/dbraw/zinc/56/72/24/949567224.db2.gz WHJDJGYXLUFCQQ-FZKQIMNGSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@H](CC(=O)N(C)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001574475548 949572379 /nfs/dbraw/zinc/57/23/79/949572379.db2.gz BGEZBAZUWRQUEZ-ZJUUUORDSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@H](CC(=O)N(C)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574475548 949572396 /nfs/dbraw/zinc/57/23/96/949572396.db2.gz BGEZBAZUWRQUEZ-ZJUUUORDSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@H]1[C@H](NC(=O)CCn2cccc2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575873288 949578397 /nfs/dbraw/zinc/57/83/97/949578397.db2.gz AVCRBUBVAIFVAB-UONOGXRCSA-N -1 1 381.444 1.022 20 0 GDADMM C[C@@H]1CCCC[C@H]1OCC(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001576166505 949582391 /nfs/dbraw/zinc/58/23/91/949582391.db2.gz MPOQAGPYAIOOCT-GUIRCDHDSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H]1CCCC[C@H]1OCC(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001576166505 949582413 /nfs/dbraw/zinc/58/24/13/949582413.db2.gz MPOQAGPYAIOOCT-GUIRCDHDSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2C(C)(C)C2(C)C)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575873418 949582589 /nfs/dbraw/zinc/58/25/89/949582589.db2.gz PDDVNFJXFHPBEO-NEPJUHHUSA-N -1 1 384.488 1.812 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2C(C)(C)C2(C)C)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575873418 949582611 /nfs/dbraw/zinc/58/26/11/949582611.db2.gz PDDVNFJXFHPBEO-NEPJUHHUSA-N -1 1 384.488 1.812 20 0 GDADMM CC1(C(=O)N2CCC[C@]3(CCN(c4cnc(-c5nnn[n-]5)cn4)C3)C2)CCC1 ZINC001575544507 949585673 /nfs/dbraw/zinc/58/56/73/949585673.db2.gz DRGIUNPIYUBTFH-LJQANCHMSA-N -1 1 382.472 1.666 20 0 GDADMM CC1(C(=O)N2CCC[C@]3(CCN(c4cnc(-c5nn[n-]n5)cn4)C3)C2)CCC1 ZINC001575544507 949585689 /nfs/dbraw/zinc/58/56/89/949585689.db2.gz DRGIUNPIYUBTFH-LJQANCHMSA-N -1 1 382.472 1.666 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2C=CC=CC=C2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575874148 949605270 /nfs/dbraw/zinc/60/52/70/949605270.db2.gz RSRUEFYEIGZZQI-DZGCQCFKSA-N -1 1 378.440 1.429 20 0 GDADMM CC(C)CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001574127690 949615078 /nfs/dbraw/zinc/61/50/78/949615078.db2.gz IXRDEONJISKVOG-OKILXGFUSA-N -1 1 384.488 1.909 20 0 GDADMM CC(C)CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001574127690 949615091 /nfs/dbraw/zinc/61/50/91/949615091.db2.gz IXRDEONJISKVOG-OKILXGFUSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)CCCc1ccccn1 ZINC001575271328 949616212 /nfs/dbraw/zinc/61/62/12/949616212.db2.gz JROFMEJGBDIMKA-OLZOCXBDSA-N -1 1 381.444 1.380 20 0 GDADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)CCCc1ccccn1 ZINC001575271328 949616226 /nfs/dbraw/zinc/61/62/26/949616226.db2.gz JROFMEJGBDIMKA-OLZOCXBDSA-N -1 1 381.444 1.380 20 0 GDADMM CC(C)CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001574128640 949628849 /nfs/dbraw/zinc/62/88/49/949628849.db2.gz NTDKVGHXHDLQAM-OKILXGFUSA-N -1 1 384.488 1.909 20 0 GDADMM CC(C)CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001574128640 949628860 /nfs/dbraw/zinc/62/88/60/949628860.db2.gz NTDKVGHXHDLQAM-OKILXGFUSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574957659 949629608 /nfs/dbraw/zinc/62/96/08/949629608.db2.gz FCCLATWQNPDJLI-PTAUBWNISA-N -1 1 378.440 1.551 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574957659 949629634 /nfs/dbraw/zinc/62/96/34/949629634.db2.gz FCCLATWQNPDJLI-PTAUBWNISA-N -1 1 378.440 1.551 20 0 GDADMM CC1(C(=O)N2CCO[C@H](CNc3nccnc3-c3nnn[n-]3)C2)CCCCC1 ZINC001575547727 949639602 /nfs/dbraw/zinc/63/96/02/949639602.db2.gz FQNOGKUKXNJIHH-CYBMUJFWSA-N -1 1 386.460 1.266 20 0 GDADMM CC1(C(=O)N2CCO[C@H](CNc3nccnc3-c3nn[n-]n3)C2)CCCCC1 ZINC001575547727 949639612 /nfs/dbraw/zinc/63/96/12/949639612.db2.gz FQNOGKUKXNJIHH-CYBMUJFWSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@@H]1CCCC[C@H]1OCC(=O)NCC=CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576168566 949643943 /nfs/dbraw/zinc/64/39/43/949643943.db2.gz VJZQMJBDGQECSM-BCBDKAHJSA-N -1 1 386.460 1.336 20 0 GDADMM C[C@@H]1CCCC[C@H]1OCC(=O)NCC=CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576168566 949643956 /nfs/dbraw/zinc/64/39/56/949643956.db2.gz VJZQMJBDGQECSM-BCBDKAHJSA-N -1 1 386.460 1.336 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC(C)(C)O)[C@@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001576168873 949653968 /nfs/dbraw/zinc/65/39/68/949653968.db2.gz WHUKUBSKRHOTTA-TZMCWYRMSA-N -1 1 388.476 1.247 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC(C)(C)O)[C@@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001576168873 949653977 /nfs/dbraw/zinc/65/39/77/949653977.db2.gz WHUKUBSKRHOTTA-TZMCWYRMSA-N -1 1 388.476 1.247 20 0 GDADMM C[C@H](CC(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1)c1ccccc1F ZINC001574477446 949655414 /nfs/dbraw/zinc/65/54/14/949655414.db2.gz ODJGTEONRYTURK-GFCCVEGCSA-N -1 1 384.419 1.860 20 0 GDADMM C[C@H](CC(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1)c1ccccc1F ZINC001574477446 949655426 /nfs/dbraw/zinc/65/54/26/949655426.db2.gz ODJGTEONRYTURK-GFCCVEGCSA-N -1 1 384.419 1.860 20 0 GDADMM C[C@@H](CC(=O)N(C)CCNc1ccnc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001574477534 949661295 /nfs/dbraw/zinc/66/12/95/949661295.db2.gz OWAVUZGQBLZRPB-LBPRGKRZSA-N -1 1 384.419 1.282 20 0 GDADMM C[C@H]1CCCN(C(=O)Cc2ccc[nH]2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576169707 949690286 /nfs/dbraw/zinc/69/02/86/949690286.db2.gz HUXQRJZUXWJECR-WFASDCNBSA-N -1 1 381.444 1.267 20 0 GDADMM C[C@H]1CCCN(C(=O)Cc2ccc[nH]2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576169707 949690305 /nfs/dbraw/zinc/69/03/05/949690305.db2.gz HUXQRJZUXWJECR-WFASDCNBSA-N -1 1 381.444 1.267 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H]1Cc2ccccc21 ZINC001573817112 949693909 /nfs/dbraw/zinc/69/39/09/949693909.db2.gz XFAIANSSRVQCKM-GDBMZVCRSA-N -1 1 392.467 1.939 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H]1Cc2ccccc21 ZINC001573817112 949693924 /nfs/dbraw/zinc/69/39/24/949693924.db2.gz XFAIANSSRVQCKM-GDBMZVCRSA-N -1 1 392.467 1.939 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C1CC(F)(F)C1 ZINC001573817752 949703849 /nfs/dbraw/zinc/70/38/49/949703849.db2.gz ATXSGMCQGGTXST-LLVKDONJSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C1CC(F)(F)C1 ZINC001573817752 949703868 /nfs/dbraw/zinc/70/38/68/949703868.db2.gz ATXSGMCQGGTXST-LLVKDONJSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001574133429 949710444 /nfs/dbraw/zinc/71/04/44/949710444.db2.gz DEODMVDJLPXLGM-KFWWJZLASA-N -1 1 384.488 1.624 20 0 GDADMM C[C@@H]1CCCN(C(=O)Cc2ccccc2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576170470 949717672 /nfs/dbraw/zinc/71/76/72/949717672.db2.gz LDYBYMDWBQYIMV-PBHICJAKSA-N -1 1 392.467 1.938 20 0 GDADMM C[C@@H]1CCCN(C(=O)Cc2ccccc2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576170470 949717684 /nfs/dbraw/zinc/71/76/84/949717684.db2.gz LDYBYMDWBQYIMV-PBHICJAKSA-N -1 1 392.467 1.938 20 0 GDADMM C[C@@H]1CCCN(C(=O)CCCF)[C@@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001576170846 949741117 /nfs/dbraw/zinc/74/11/17/949741117.db2.gz NXTAEFAFQSLKMT-CHWSQXEVSA-N -1 1 376.440 1.836 20 0 GDADMM C[C@@H]1CCCN(C(=O)CCCF)[C@@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001576170846 949741127 /nfs/dbraw/zinc/74/11/27/949741127.db2.gz NXTAEFAFQSLKMT-CHWSQXEVSA-N -1 1 376.440 1.836 20 0 GDADMM C[C@H]1CCCN(C(=O)CCCF)[C@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001576170859 949743965 /nfs/dbraw/zinc/74/39/65/949743965.db2.gz OCHHINYJLMBBCE-JSGCOSHPSA-N -1 1 376.440 1.836 20 0 GDADMM C[C@H]1CCCN(C(=O)CCCF)[C@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001576170859 949743983 /nfs/dbraw/zinc/74/39/83/949743983.db2.gz OCHHINYJLMBBCE-JSGCOSHPSA-N -1 1 376.440 1.836 20 0 GDADMM C[C@H](CC(=O)N1CCC(CN(C)c2ccc(-c3nnn[n-]3)nn2)CC1)C1CC1 ZINC001574479743 949745315 /nfs/dbraw/zinc/74/53/15/949745315.db2.gz GPLSTKUHVCJJAW-CYBMUJFWSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](CC(=O)N1CCC(CN(C)c2ccc(-c3nn[n-]n3)nn2)CC1)C1CC1 ZINC001574479743 949745323 /nfs/dbraw/zinc/74/53/23/949745323.db2.gz GPLSTKUHVCJJAW-CYBMUJFWSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H]1CCCC[C@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001576171099 949751992 /nfs/dbraw/zinc/75/19/92/949751992.db2.gz OOTJHOVNVWPOLK-BYNSBNAKSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H]1CCCC[C@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001576171099 949752009 /nfs/dbraw/zinc/75/20/09/949752009.db2.gz OOTJHOVNVWPOLK-BYNSBNAKSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H]1CCCN(C(=O)CCCF)[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576171335 949755860 /nfs/dbraw/zinc/75/58/60/949755860.db2.gz QJIFDWCUHPJGLU-JSGCOSHPSA-N -1 1 376.440 1.836 20 0 GDADMM C[C@H]1CCCN(C(=O)CCCF)[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576171335 949755870 /nfs/dbraw/zinc/75/58/70/949755870.db2.gz QJIFDWCUHPJGLU-JSGCOSHPSA-N -1 1 376.440 1.836 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)Cc2cccs2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575882375 949769228 /nfs/dbraw/zinc/76/92/28/949769228.db2.gz JRVBXXZYZZJRDO-YPMHNXCESA-N -1 1 384.469 1.434 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)Cc2cccs2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575882375 949769243 /nfs/dbraw/zinc/76/92/43/949769243.db2.gz JRVBXXZYZZJRDO-YPMHNXCESA-N -1 1 384.469 1.434 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccc(=O)[nH]c1 ZINC001573821315 949769325 /nfs/dbraw/zinc/76/93/25/949769325.db2.gz AAWLPWQAQNUMIC-GFCCVEGCSA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccc(=O)[nH]c1 ZINC001573821315 949769339 /nfs/dbraw/zinc/76/93/39/949769339.db2.gz AAWLPWQAQNUMIC-GFCCVEGCSA-N -1 1 383.416 1.014 20 0 GDADMM C[C@H]1CCCC[C@H]1C(=O)NCCC1(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576171696 949777294 /nfs/dbraw/zinc/77/72/94/949777294.db2.gz RDBOPFYYVJVJAL-UONOGXRCSA-N -1 1 384.488 1.603 20 0 GDADMM C[C@H]1CC[C@H](C(=O)N[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)[C@H]2C)CC1 ZINC001575883262 949810076 /nfs/dbraw/zinc/81/00/76/949810076.db2.gz QFYPKWPVTYGDEC-ZQDZILKHSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H]1CC[C@H](C(=O)N[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)[C@H]2C)CC1 ZINC001575883262 949810099 /nfs/dbraw/zinc/81/00/99/949810099.db2.gz QFYPKWPVTYGDEC-ZQDZILKHSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@@H](CC(=O)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1)C(F)(F)F ZINC001574483953 949850915 /nfs/dbraw/zinc/85/09/15/949850915.db2.gz AKEBGZONXWBTKY-JTQLQIEISA-N -1 1 384.366 1.284 20 0 GDADMM C[C@@H](CC(=O)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1)C(F)(F)F ZINC001574483953 949850939 /nfs/dbraw/zinc/85/09/39/949850939.db2.gz AKEBGZONXWBTKY-JTQLQIEISA-N -1 1 384.366 1.284 20 0 GDADMM C[C@H]1CCCN(C(=O)c2nccs2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576177696 949857630 /nfs/dbraw/zinc/85/76/30/949857630.db2.gz AOFHEAWLKKVYTP-CMPLNLGQSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H]1CCCN(C(=O)c2nccs2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576177696 949857652 /nfs/dbraw/zinc/85/76/52/949857652.db2.gz AOFHEAWLKKVYTP-CMPLNLGQSA-N -1 1 385.457 1.466 20 0 GDADMM CC1(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)CC(F)(F)C1 ZINC001575564261 949859951 /nfs/dbraw/zinc/85/99/51/949859951.db2.gz PCGPMOJXLDFENO-SNVBAGLBSA-N -1 1 378.387 1.177 20 0 GDADMM CC1(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC(F)(F)C1 ZINC001575564261 949859975 /nfs/dbraw/zinc/85/99/75/949859975.db2.gz PCGPMOJXLDFENO-SNVBAGLBSA-N -1 1 378.387 1.177 20 0 GDADMM CC(C)C[C@H](C)CC(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001574142340 949866112 /nfs/dbraw/zinc/86/61/12/949866112.db2.gz XLTVHAKOERLVPB-RRFJBIMHSA-N -1 1 386.504 1.918 20 0 GDADMM CC(C)C[C@H](C)CC(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001574142340 949866131 /nfs/dbraw/zinc/86/61/31/949866131.db2.gz XLTVHAKOERLVPB-RRFJBIMHSA-N -1 1 386.504 1.918 20 0 GDADMM CC(C)(C)C12CC(C(=O)N3CC[C@H](Nc4cncc(-c5nnn[n-]5)n4)C3)(C1)C2 ZINC001573825233 949867920 /nfs/dbraw/zinc/86/79/20/949867920.db2.gz OASJWLBXWCQRET-RMEHTXHKSA-N -1 1 382.472 1.886 20 0 GDADMM CC(C)(C)C12CC(C(=O)N3CC[C@H](Nc4cncc(-c5nn[n-]n5)n4)C3)(C1)C2 ZINC001573825233 949867938 /nfs/dbraw/zinc/86/79/38/949867938.db2.gz OASJWLBXWCQRET-RMEHTXHKSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@@H](NC(=O)Cc1c(F)cccc1F)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575283394 949872299 /nfs/dbraw/zinc/87/22/99/949872299.db2.gz ORCDURUBAFSJTL-VHSXEESVSA-N -1 1 388.382 1.483 20 0 GDADMM C[C@@H](NC(=O)Cc1c(F)cccc1F)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575283394 949872315 /nfs/dbraw/zinc/87/23/15/949872315.db2.gz ORCDURUBAFSJTL-VHSXEESVSA-N -1 1 388.382 1.483 20 0 GDADMM C[C@H]1CCCN1c1nnc([C@@H]2CCCOC2)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001576178283 949884923 /nfs/dbraw/zinc/88/49/23/949884923.db2.gz HEJACROQDJPADY-QWHCGFSZSA-N -1 1 384.444 1.982 20 0 GDADMM C[C@H]1CCCN1c1nnc([C@@H]2CCCOC2)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001576178283 949884945 /nfs/dbraw/zinc/88/49/45/949884945.db2.gz HEJACROQDJPADY-QWHCGFSZSA-N -1 1 384.444 1.982 20 0 GDADMM CC(C)(C)C1CC(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573825523 949886425 /nfs/dbraw/zinc/88/64/25/949886425.db2.gz YTVUGNIEQRWZKQ-HOAMVYINSA-N -1 1 382.472 1.519 20 0 GDADMM CC(C)(C)C1CC(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573825523 949886442 /nfs/dbraw/zinc/88/64/42/949886442.db2.gz YTVUGNIEQRWZKQ-HOAMVYINSA-N -1 1 382.472 1.519 20 0 GDADMM CC1(C(=O)N[C@@H]2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CCOCC1 ZINC001575565977 949889218 /nfs/dbraw/zinc/88/92/18/949889218.db2.gz ZGGPJAMVWGWIMG-QWHCGFSZSA-N -1 1 386.460 1.313 20 0 GDADMM CC1(C(=O)N[C@@H]2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CCOCC1 ZINC001575565977 949889240 /nfs/dbraw/zinc/88/92/40/949889240.db2.gz ZGGPJAMVWGWIMG-QWHCGFSZSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](CC(=O)N1CCCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C1CC1 ZINC001574484790 949903272 /nfs/dbraw/zinc/90/32/72/949903272.db2.gz OFVPOUCTDCPINO-TZMCWYRMSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H](CC(=O)N1CCCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C1CC1 ZINC001574484790 949903290 /nfs/dbraw/zinc/90/32/90/949903290.db2.gz OFVPOUCTDCPINO-TZMCWYRMSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H]1CC[C@H](C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)[C@H]2C)CC1 ZINC001575887409 949904593 /nfs/dbraw/zinc/90/45/93/949904593.db2.gz ZDLUZTFRDLKJND-AJNGGQMLSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H]1CC[C@H](C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)[C@H]2C)CC1 ZINC001575887409 949904619 /nfs/dbraw/zinc/90/46/19/949904619.db2.gz ZDLUZTFRDLKJND-AJNGGQMLSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1)n1cccc1 ZINC001574484793 949906635 /nfs/dbraw/zinc/90/66/35/949906635.db2.gz OIOXEKVBWYGAFY-UONOGXRCSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1)n1cccc1 ZINC001574484793 949906655 /nfs/dbraw/zinc/90/66/55/949906655.db2.gz OIOXEKVBWYGAFY-UONOGXRCSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574484887 949910492 /nfs/dbraw/zinc/91/04/92/949910492.db2.gz QUXIOETYTGGHDN-GDBMZVCRSA-N -1 1 392.467 1.675 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574144315 949913190 /nfs/dbraw/zinc/91/31/90/949913190.db2.gz NTAFQOSGVRTBKU-MGPQQGTHSA-N -1 1 388.476 1.557 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574144315 949913211 /nfs/dbraw/zinc/91/32/11/949913211.db2.gz NTAFQOSGVRTBKU-MGPQQGTHSA-N -1 1 388.476 1.557 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC001574485016 949918646 /nfs/dbraw/zinc/91/86/46/949918646.db2.gz USJZJJGQYQSNRY-OLZOCXBDSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC001574485016 949918670 /nfs/dbraw/zinc/91/86/70/949918670.db2.gz USJZJJGQYQSNRY-OLZOCXBDSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)n1cccc1 ZINC001574485275 949922562 /nfs/dbraw/zinc/92/25/62/949922562.db2.gz WFSWIVIGMBGWIG-ZIAGYGMSSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)n1cccc1 ZINC001574485275 949922593 /nfs/dbraw/zinc/92/25/93/949922593.db2.gz WFSWIVIGMBGWIG-ZIAGYGMSSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H](C)[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001574487651 949932891 /nfs/dbraw/zinc/93/28/91/949932891.db2.gz APPKLFARHOLFGO-UMVBOHGHSA-N -1 1 384.488 1.411 20 0 GDADMM CC1(C(=O)NC2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)CC(F)(F)C1 ZINC001575570161 949934639 /nfs/dbraw/zinc/93/46/39/949934639.db2.gz PYEBMPSFPPJWPV-UHFFFAOYSA-N -1 1 378.387 1.177 20 0 GDADMM CC1(C(=O)NC2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)CC(F)(F)C1 ZINC001575570161 949934657 /nfs/dbraw/zinc/93/46/57/949934657.db2.gz PYEBMPSFPPJWPV-UHFFFAOYSA-N -1 1 378.387 1.177 20 0 GDADMM C[C@@H](CC(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)n1cccc1 ZINC001574487729 949937595 /nfs/dbraw/zinc/93/75/95/949937595.db2.gz BLCBNIQITQTECO-GXTWGEPZSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](CC(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)n1cccc1 ZINC001574487729 949937611 /nfs/dbraw/zinc/93/76/11/949937611.db2.gz BLCBNIQITQTECO-GXTWGEPZSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](NC(=O)CN(C)c1ccccc1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575285684 949958000 /nfs/dbraw/zinc/95/80/00/949958000.db2.gz PWCIPXBVSMDNRE-STQMWFEESA-N -1 1 381.444 1.098 20 0 GDADMM C[C@H](NC(=O)CN(C)c1ccccc1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575285684 949958015 /nfs/dbraw/zinc/95/80/15/949958015.db2.gz PWCIPXBVSMDNRE-STQMWFEESA-N -1 1 381.444 1.098 20 0 GDADMM CC(C)(C)CC(=O)N1CC[C@]2(C1)CCCN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001573829976 949965097 /nfs/dbraw/zinc/96/50/97/949965097.db2.gz GFOCQPFJXXVBNE-LJQANCHMSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@H](CC(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)n1cccc1 ZINC001574489684 949968200 /nfs/dbraw/zinc/96/82/00/949968200.db2.gz KQOQYPOTBACLOQ-TZMCWYRMSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](CC(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)n1cccc1 ZINC001574489684 949968215 /nfs/dbraw/zinc/96/82/15/949968215.db2.gz KQOQYPOTBACLOQ-TZMCWYRMSA-N -1 1 381.444 1.416 20 0 GDADMM CC(C)(C)CC(=O)N1CCC[C@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001573830405 949974881 /nfs/dbraw/zinc/97/48/81/949974881.db2.gz MAPKLTVSJLXPOM-LJQANCHMSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@@H](CC(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1ccco1 ZINC001574489980 949976271 /nfs/dbraw/zinc/97/62/71/949976271.db2.gz MIIXUWAWCYZVNN-AAEUAGOBSA-N -1 1 382.428 1.172 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001574490377 949992679 /nfs/dbraw/zinc/99/26/79/949992679.db2.gz QMUNEWUOKSRIGJ-FXPVBKGRSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001574490377 949992694 /nfs/dbraw/zinc/99/26/94/949992694.db2.gz QMUNEWUOKSRIGJ-FXPVBKGRSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001574490416 949994530 /nfs/dbraw/zinc/99/45/30/949994530.db2.gz RGLXSMLEMKXCNL-YRGRVCCFSA-N -1 1 382.428 1.702 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001574490416 949994554 /nfs/dbraw/zinc/99/45/54/949994554.db2.gz RGLXSMLEMKXCNL-YRGRVCCFSA-N -1 1 382.428 1.702 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ccc[nH]1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574728812 950014084 /nfs/dbraw/zinc/01/40/84/950014084.db2.gz KDZUYLQSTZQHIS-QMMMGPOBSA-N -1 1 380.865 1.806 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ccc[nH]1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574728812 950014105 /nfs/dbraw/zinc/01/41/05/950014105.db2.gz KDZUYLQSTZQHIS-QMMMGPOBSA-N -1 1 380.865 1.806 20 0 GDADMM C[C@@H](CC(=O)N[C@@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001574491243 950028022 /nfs/dbraw/zinc/02/80/22/950028022.db2.gz BNTIVVRKPFYKOZ-XPTSAGLGSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](CC(=O)N[C@@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001574491243 950028045 /nfs/dbraw/zinc/02/80/45/950028045.db2.gz BNTIVVRKPFYKOZ-XPTSAGLGSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H]1CCN(C(=O)Cc2ccoc2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576182007 950029998 /nfs/dbraw/zinc/02/99/98/950029998.db2.gz KHHWSCOOLXKDES-OCCSQVGLSA-N -1 1 382.428 1.389 20 0 GDADMM C[C@@H]1CCN(C(=O)Cc2ccoc2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576182007 950030019 /nfs/dbraw/zinc/03/00/19/950030019.db2.gz KHHWSCOOLXKDES-OCCSQVGLSA-N -1 1 382.428 1.389 20 0 GDADMM C[C@H]1CCN(C(=O)C2(CCF)CC2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576182033 950035417 /nfs/dbraw/zinc/03/54/17/950035417.db2.gz KPWZGIQJYKUWOG-QWHCGFSZSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@H]1CCN(C(=O)C2(CCF)CC2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576182033 950035442 /nfs/dbraw/zinc/03/54/42/950035442.db2.gz KPWZGIQJYKUWOG-QWHCGFSZSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@H](CC(=O)NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)n1cccc1 ZINC001574491585 950040698 /nfs/dbraw/zinc/04/06/98/950040698.db2.gz DTGSHQMPNMHQNL-CYBMUJFWSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ccccc2F)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575891907 950040706 /nfs/dbraw/zinc/04/07/06/950040706.db2.gz PGEPGOMZVLLQDV-RISCZKNCSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ccccc2F)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575891907 950040728 /nfs/dbraw/zinc/04/07/28/950040728.db2.gz PGEPGOMZVLLQDV-RISCZKNCSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@H](CC(=O)NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)n1cccc1 ZINC001574491585 950040719 /nfs/dbraw/zinc/04/07/19/950040719.db2.gz DTGSHQMPNMHQNL-CYBMUJFWSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H]1CCN(C(=O)Cc2ccoc2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576182123 950041143 /nfs/dbraw/zinc/04/11/43/950041143.db2.gz LJHQOKLHLHAPRO-JSGCOSHPSA-N -1 1 382.428 1.389 20 0 GDADMM C[C@H]1CCN(C(=O)Cc2ccoc2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576182123 950041167 /nfs/dbraw/zinc/04/11/67/950041167.db2.gz LJHQOKLHLHAPRO-JSGCOSHPSA-N -1 1 382.428 1.389 20 0 GDADMM C[C@H]1CCN(C(=O)Cc2ccoc2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576182122 950041750 /nfs/dbraw/zinc/04/17/50/950041750.db2.gz LJHQOKLHLHAPRO-GXTWGEPZSA-N -1 1 382.428 1.389 20 0 GDADMM C[C@H]1CCN(C(=O)Cc2ccoc2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576182122 950041768 /nfs/dbraw/zinc/04/17/68/950041768.db2.gz LJHQOKLHLHAPRO-GXTWGEPZSA-N -1 1 382.428 1.389 20 0 GDADMM C[C@H](CC(=O)N[C@@]12CCC[C@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2)C1CC1 ZINC001574491954 950052283 /nfs/dbraw/zinc/05/22/83/950052283.db2.gz HKXHPILIGIYDAZ-KPAZRMRSSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H](CC(=O)N[C@@]12CCC[C@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2)C1CC1 ZINC001574491954 950052307 /nfs/dbraw/zinc/05/23/07/950052307.db2.gz HKXHPILIGIYDAZ-KPAZRMRSSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ccc(Cl)o2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575892120 950052737 /nfs/dbraw/zinc/05/27/37/950052737.db2.gz RQQUXCFDSZOTRD-ZJUUUORDSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ccc(Cl)o2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575892120 950052759 /nfs/dbraw/zinc/05/27/59/950052759.db2.gz RQQUXCFDSZOTRD-ZJUUUORDSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@@H]1CCN(C(=O)COC(C)(C)C)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576182887 950071969 /nfs/dbraw/zinc/07/19/69/950071969.db2.gz NWIGLBTXEOKEDL-CHWSQXEVSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@@H]1CCN(C(=O)COC(C)(C)C)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576182887 950071996 /nfs/dbraw/zinc/07/19/96/950071996.db2.gz NWIGLBTXEOKEDL-CHWSQXEVSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@H](CC(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)c1ccccc1 ZINC001574492303 950075143 /nfs/dbraw/zinc/07/51/43/950075143.db2.gz LXMIDVZETNGWSQ-CQSZACIVSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H](C)Cc1ccccc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574733050 950089339 /nfs/dbraw/zinc/08/93/39/950089339.db2.gz QRJMVXGVZCXONK-KBPBESRZSA-N -1 1 380.456 1.216 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)C1CCCCC1 ZINC001574492698 950100208 /nfs/dbraw/zinc/10/02/08/950100208.db2.gz OQHBCQROJXGTJT-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)C1CCCCC1 ZINC001574492698 950100233 /nfs/dbraw/zinc/10/02/33/950100233.db2.gz OQHBCQROJXGTJT-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccccc1 ZINC001574493045 950114549 /nfs/dbraw/zinc/11/45/49/950114549.db2.gz QZRCJNAVNVSQMR-ZBFHGGJFSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccccc1 ZINC001574493045 950114564 /nfs/dbraw/zinc/11/45/64/950114564.db2.gz QZRCJNAVNVSQMR-ZBFHGGJFSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H](CC(=O)N[C@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001574493944 950147372 /nfs/dbraw/zinc/14/73/72/950147372.db2.gz VOVHIPKVXIVJDA-FZKQIMNGSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](CC(=O)N[C@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574493944 950147387 /nfs/dbraw/zinc/14/73/87/950147387.db2.gz VOVHIPKVXIVJDA-FZKQIMNGSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H]1CCN(C(=O)C2CC(C)(C)C2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576184933 950147314 /nfs/dbraw/zinc/14/73/14/950147314.db2.gz YKTDPTYGPPMYBS-TZMCWYRMSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H]1CCN(C(=O)C2CC(C)(C)C2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576184933 950147326 /nfs/dbraw/zinc/14/73/26/950147326.db2.gz YKTDPTYGPPMYBS-TZMCWYRMSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H](Nc1nccnc1-c1nnn[n-]1)C1CC1)c1ccco1 ZINC001574494249 950155026 /nfs/dbraw/zinc/15/50/26/950155026.db2.gz JKEYTPOYMWYZIG-WCQYABFASA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H](Nc1nccnc1-c1nn[n-]n1)C1CC1)c1ccco1 ZINC001574494249 950155035 /nfs/dbraw/zinc/15/50/35/950155035.db2.gz JKEYTPOYMWYZIG-WCQYABFASA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@]12C[C@H]1COC2)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574734963 950155268 /nfs/dbraw/zinc/15/52/68/950155268.db2.gz VZCDKXHYRGBKOF-FZVNPBSJSA-N -1 1 383.865 1.272 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@]12C[C@H]1COC2)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574734963 950155275 /nfs/dbraw/zinc/15/52/75/950155275.db2.gz VZCDKXHYRGBKOF-FZVNPBSJSA-N -1 1 383.865 1.272 20 0 GDADMM C[C@H](CC(=O)NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574494238 950155509 /nfs/dbraw/zinc/15/55/09/950155509.db2.gz YBGDOJLCAJCFNG-PNESKVBLSA-N -1 1 382.428 1.172 20 0 GDADMM C[C@@H]1CCN(C(=O)C2CC(F)(F)C2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576185071 950157165 /nfs/dbraw/zinc/15/71/65/950157165.db2.gz ZBCPQMZXTVHBTP-ZYHUDNBSSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H]1CCN(C(=O)C2CC(F)(F)C2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576185071 950157173 /nfs/dbraw/zinc/15/71/73/950157173.db2.gz ZBCPQMZXTVHBTP-ZYHUDNBSSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H]1CCN(C(=O)c2cc(F)c[nH]2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576190684 950169235 /nfs/dbraw/zinc/16/92/35/950169235.db2.gz DAIYMDCQQYKVEI-WDEREUQCSA-N -1 1 385.407 1.334 20 0 GDADMM C[C@H]1CCN(C(=O)c2cc(F)c[nH]2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576190684 950169247 /nfs/dbraw/zinc/16/92/47/950169247.db2.gz DAIYMDCQQYKVEI-WDEREUQCSA-N -1 1 385.407 1.334 20 0 GDADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001574154690 950173190 /nfs/dbraw/zinc/17/31/90/950173190.db2.gz GATGMYJQICPVRV-ZNMIVQPWSA-N -1 1 384.488 1.458 20 0 GDADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1(CF)CCC1 ZINC001574154496 950174376 /nfs/dbraw/zinc/17/43/76/950174376.db2.gz FCMIEDIWVGECLJ-GFCCVEGCSA-N -1 1 376.440 1.161 20 0 GDADMM CC(C)(C)CC[C@H](NC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1)C(N)=O ZINC001573843444 950178424 /nfs/dbraw/zinc/17/84/24/950178424.db2.gz YDSVKZDGNAXRTJ-JTQLQIEISA-N -1 1 399.377 1.691 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1)n1cccc1 ZINC001574496509 950216619 /nfs/dbraw/zinc/21/66/19/950216619.db2.gz XDIGGZJDLFYTFH-JSGCOSHPSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1)n1cccc1 ZINC001574496509 950216638 /nfs/dbraw/zinc/21/66/38/950216638.db2.gz XDIGGZJDLFYTFH-JSGCOSHPSA-N -1 1 381.444 1.416 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573845543 950230578 /nfs/dbraw/zinc/23/05/78/950230578.db2.gz GNCLGMDPXXFEAL-MELADBBJSA-N -1 1 384.488 1.554 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@H]1CCCCO1 ZINC001574156225 950230858 /nfs/dbraw/zinc/23/08/58/950230858.db2.gz ZEHXATQFDISZNZ-ZIAGYGMSSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@H]1CCCCO1 ZINC001574156225 950230877 /nfs/dbraw/zinc/23/08/77/950230877.db2.gz ZEHXATQFDISZNZ-ZIAGYGMSSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccns2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576192301 950239835 /nfs/dbraw/zinc/23/98/35/950239835.db2.gz LUDYECSTABHRHE-WDEREUQCSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccns2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576192301 950239853 /nfs/dbraw/zinc/23/98/53/950239853.db2.gz LUDYECSTABHRHE-WDEREUQCSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@@H](CC(=O)NCC1CC(Nc2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001574498653 950277914 /nfs/dbraw/zinc/27/79/14/950277914.db2.gz PCAKWOAXRPTFSS-IDKOKCKLSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](CC(=O)NCC1CC(Nc2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001574498653 950277934 /nfs/dbraw/zinc/27/79/34/950277934.db2.gz PCAKWOAXRPTFSS-IDKOKCKLSA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)(C)OC(=O)C(C)(C)CCNC(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001573850646 950280849 /nfs/dbraw/zinc/28/08/49/950280849.db2.gz MIJFTYMLQNTMNO-UHFFFAOYSA-N -1 1 395.489 1.880 20 0 GDADMM CC(C)(C)OC(=O)C(C)(C)CCNC(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001573850646 950280864 /nfs/dbraw/zinc/28/08/64/950280864.db2.gz MIJFTYMLQNTMNO-UHFFFAOYSA-N -1 1 395.489 1.880 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@H](CCC(=O)Nc2n[nH]cc2-c2nnn[n-]2)C1 ZINC001573852327 950300857 /nfs/dbraw/zinc/30/08/57/950300857.db2.gz FDZQXRMLRRDFKP-JTQLQIEISA-N -1 1 376.421 1.566 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@H](CCC(=O)Nc2n[nH]cc2-c2nn[n-]n2)C1 ZINC001573852327 950300879 /nfs/dbraw/zinc/30/08/79/950300879.db2.gz FDZQXRMLRRDFKP-JTQLQIEISA-N -1 1 376.421 1.566 20 0 GDADMM C[C@H](CN(C)C(=O)c1c[nH]nc1C(C)(C)C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574742709 950303835 /nfs/dbraw/zinc/30/38/35/950303835.db2.gz OMTIDMVDLMJMLO-SNVBAGLBSA-N -1 1 384.448 1.250 20 0 GDADMM C[C@H](CN(C)C(=O)c1c[nH]nc1C(C)(C)C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574742709 950303852 /nfs/dbraw/zinc/30/38/52/950303852.db2.gz OMTIDMVDLMJMLO-SNVBAGLBSA-N -1 1 384.448 1.250 20 0 GDADMM CC(C)(C)OC(=O)N(CCO)[C@@H]1CCCN(c2cccc(-c3nnn[n-]3)n2)C1 ZINC001573852417 950306461 /nfs/dbraw/zinc/30/64/61/950306461.db2.gz IBXRFEWQOGRJTO-CYBMUJFWSA-N -1 1 389.460 1.460 20 0 GDADMM CC(C)(C)OC(=O)N(CCO)[C@@H]1CCCN(c2cccc(-c3nn[n-]n3)n2)C1 ZINC001573852417 950306482 /nfs/dbraw/zinc/30/64/82/950306482.db2.gz IBXRFEWQOGRJTO-CYBMUJFWSA-N -1 1 389.460 1.460 20 0 GDADMM C[C@H]1CCN(C(=O)c2nccs2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576194463 950341839 /nfs/dbraw/zinc/34/18/39/950341839.db2.gz ZBPLVPWKJYXDSH-WDEREUQCSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H]1CCN(C(=O)c2nccs2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576194463 950341860 /nfs/dbraw/zinc/34/18/60/950341860.db2.gz ZBPLVPWKJYXDSH-WDEREUQCSA-N -1 1 385.457 1.324 20 0 GDADMM CC(C)(C)Cc1nnc(N2CCCOCC2)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001573854945 950355673 /nfs/dbraw/zinc/35/56/73/950355673.db2.gz IPNRYMPIAFQBSV-UHFFFAOYSA-N -1 1 386.460 1.915 20 0 GDADMM CC(C)(C)Cc1nnc(N2CCCOCC2)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001573854945 950355692 /nfs/dbraw/zinc/35/56/92/950355692.db2.gz IPNRYMPIAFQBSV-UHFFFAOYSA-N -1 1 386.460 1.915 20 0 GDADMM CC1(C(=O)NC[C@H]2c3ccccc3CCN2c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575596064 950366420 /nfs/dbraw/zinc/36/64/20/950366420.db2.gz RRDITIHZSROFBI-HNNXBMFYSA-N -1 1 390.451 1.677 20 0 GDADMM CC1(C(=O)NC[C@H]2c3ccccc3CCN2c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001575596700 950384012 /nfs/dbraw/zinc/38/40/12/950384012.db2.gz UUUJFCJFCPQUNH-INIZCTEOSA-N -1 1 390.451 1.677 20 0 GDADMM CC1(C(=O)NC[C@H]2c3ccccc3CCN2c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001575596700 950384033 /nfs/dbraw/zinc/38/40/33/950384033.db2.gz UUUJFCJFCPQUNH-INIZCTEOSA-N -1 1 390.451 1.677 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1C[C@@H]1C(F)F ZINC001574162527 950385323 /nfs/dbraw/zinc/38/53/23/950385323.db2.gz CJVSMGPYFVAPEX-DCAQKATOSA-N -1 1 380.403 1.501 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1C[C@@H]1C(F)F ZINC001574162527 950385340 /nfs/dbraw/zinc/38/53/40/950385340.db2.gz CJVSMGPYFVAPEX-DCAQKATOSA-N -1 1 380.403 1.501 20 0 GDADMM CC1(C(=O)NCC[C@H](Cc2ccccc2)Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575596918 950392512 /nfs/dbraw/zinc/39/25/12/950392512.db2.gz WENSMWHTJRCLDQ-OAHLLOKOSA-N -1 1 392.467 1.408 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)c1ccco1 ZINC001574503478 950414876 /nfs/dbraw/zinc/41/48/76/950414876.db2.gz XCNKKMAVFUHRNR-OLZOCXBDSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)c1ccco1 ZINC001574503478 950414892 /nfs/dbraw/zinc/41/48/92/950414892.db2.gz XCNKKMAVFUHRNR-OLZOCXBDSA-N -1 1 382.428 1.529 20 0 GDADMM CC(C)c1cc(C(=O)N(C)C[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)nn1C ZINC001574747769 950417430 /nfs/dbraw/zinc/41/74/30/950417430.db2.gz XAOWEJWVOGSUPJ-NSHDSACASA-N -1 1 384.448 1.086 20 0 GDADMM CC(C)c1cc(C(=O)N(C)C[C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)nn1C ZINC001574747769 950417447 /nfs/dbraw/zinc/41/74/47/950417447.db2.gz XAOWEJWVOGSUPJ-NSHDSACASA-N -1 1 384.448 1.086 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574503973 950422102 /nfs/dbraw/zinc/42/21/02/950422102.db2.gz ZBCYGGKSLBANNL-UONOGXRCSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@]1(C(=O)N[C@@H]2CCN(c3nc(-c4nn[n-]n4)c(Cl)s3)C2)CCOC1 ZINC001575600121 950437224 /nfs/dbraw/zinc/43/72/24/950437224.db2.gz RRTOKCMKFYNSTE-CLAHSXSESA-N -1 1 383.865 1.098 20 0 GDADMM CC(C)(C)OC(=O)N[C@@](C)(C(=O)n1ncc(-c2nn[n-]n2)c1N)c1ccccc1 ZINC001573861057 950437638 /nfs/dbraw/zinc/43/76/38/950437638.db2.gz QSVOGVBIYPELEP-GOSISDBHSA-N -1 1 398.427 1.726 20 0 GDADMM CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)Nc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001573861140 950441053 /nfs/dbraw/zinc/44/10/53/950441053.db2.gz VIHDAYXAUPFJGT-UMSPYCQHSA-N -1 1 388.432 1.687 20 0 GDADMM CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)Nc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001573861140 950441066 /nfs/dbraw/zinc/44/10/66/950441066.db2.gz VIHDAYXAUPFJGT-UMSPYCQHSA-N -1 1 388.432 1.687 20 0 GDADMM CC(C)CC1(C(=O)N[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)CCC1 ZINC001574165280 950441669 /nfs/dbraw/zinc/44/16/69/950441669.db2.gz CATILIUNJSSYLT-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CC1(C(=O)N[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)CCC1 ZINC001574165280 950441679 /nfs/dbraw/zinc/44/16/79/950441679.db2.gz CATILIUNJSSYLT-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM Cc1nc([C@H]2CCCN(C(=O)C3=NN(c4ccccc4)[C@H](C(=O)[O-])C3)C2)n[nH]1 ZINC000263415865 950448807 /nfs/dbraw/zinc/44/88/07/950448807.db2.gz JXNKTMUGVKGAHI-BBRMVZONSA-N -1 1 382.424 1.539 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001574507469 950453537 /nfs/dbraw/zinc/45/35/37/950453537.db2.gz JJMCIWVCGKOKFB-QLFBSQMISA-N -1 1 395.471 1.806 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001574507469 950453551 /nfs/dbraw/zinc/45/35/51/950453551.db2.gz JJMCIWVCGKOKFB-QLFBSQMISA-N -1 1 395.471 1.806 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)[C@H]1CCCO1 ZINC001574508494 950480982 /nfs/dbraw/zinc/48/09/82/950480982.db2.gz PBNHXAYOUJOWIG-RGCMKSIDSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)[C@H]1CCCO1 ZINC001574508494 950480999 /nfs/dbraw/zinc/48/09/99/950480999.db2.gz PBNHXAYOUJOWIG-RGCMKSIDSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc2c(s1)CCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574752480 950488021 /nfs/dbraw/zinc/48/80/21/950488021.db2.gz XLXYUPPDIIUGLC-SNVBAGLBSA-N -1 1 384.469 1.780 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc2c(s1)CCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574752480 950488037 /nfs/dbraw/zinc/48/80/37/950488037.db2.gz XLXYUPPDIIUGLC-SNVBAGLBSA-N -1 1 384.469 1.780 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc2cc[nH]c2c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574752603 950490029 /nfs/dbraw/zinc/49/00/29/950490029.db2.gz DGOYJTXSRNDGMN-LLVKDONJSA-N -1 1 377.412 1.711 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc2cc[nH]c2c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574752603 950490039 /nfs/dbraw/zinc/49/00/39/950490039.db2.gz DGOYJTXSRNDGMN-LLVKDONJSA-N -1 1 377.412 1.711 20 0 GDADMM CC(C)(C)OC(=O)[C@H]1C[C@H](NC(=O)NCc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573864017 950493131 /nfs/dbraw/zinc/49/31/31/950493131.db2.gz WKKSKIRXBHSNGA-MGCOHNPYSA-N -1 1 378.458 1.848 20 0 GDADMM CC(C)c1cccc(C(=O)N(C)C[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)n1 ZINC001574752689 950494530 /nfs/dbraw/zinc/49/45/30/950494530.db2.gz FEXFGVJMXTXYKA-GFCCVEGCSA-N -1 1 381.444 1.748 20 0 GDADMM CC(C)c1cccc(C(=O)N(C)C[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)n1 ZINC001574752689 950494545 /nfs/dbraw/zinc/49/45/45/950494545.db2.gz FEXFGVJMXTXYKA-GFCCVEGCSA-N -1 1 381.444 1.748 20 0 GDADMM C[C@@H](CC(=O)NCC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)C1CC1 ZINC001574509341 950508548 /nfs/dbraw/zinc/50/85/48/950508548.db2.gz RBVJZGCZFUJACQ-GZBFAFLISA-N -1 1 384.488 1.672 20 0 GDADMM C[C@@H](CC(=O)NCC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)C1CC1 ZINC001574509341 950508561 /nfs/dbraw/zinc/50/85/61/950508561.db2.gz RBVJZGCZFUJACQ-GZBFAFLISA-N -1 1 384.488 1.672 20 0 GDADMM C[C@H](CC(=O)NCCNc1nc(-c2nn[n-]n2)c(Cl)s1)n1cccc1 ZINC001574509353 950511345 /nfs/dbraw/zinc/51/13/45/950511345.db2.gz RMBWKIMRPDTGTM-SECBINFHSA-N -1 1 380.865 1.958 20 0 GDADMM CC(C)(C)OCC(=O)N1CCC[C@H]2[C@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001573866945 950519600 /nfs/dbraw/zinc/51/96/00/950519600.db2.gz OEPDQXABWCWNDN-UONOGXRCSA-N -1 1 386.460 1.042 20 0 GDADMM CC(C)(C)OCC(=O)N1CCC[C@H]2[C@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001573866945 950519621 /nfs/dbraw/zinc/51/96/21/950519621.db2.gz OEPDQXABWCWNDN-UONOGXRCSA-N -1 1 386.460 1.042 20 0 GDADMM C[C@@H](CNC(=O)c1cc(C(C)(C)C)on1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574996711 950533855 /nfs/dbraw/zinc/53/38/55/950533855.db2.gz OWNSXLJEMKKXMC-SNVBAGLBSA-N -1 1 385.432 1.420 20 0 GDADMM C[C@@H](CNC(=O)c1cc(C(C)(C)C)on1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574996711 950533872 /nfs/dbraw/zinc/53/38/72/950533872.db2.gz OWNSXLJEMKKXMC-SNVBAGLBSA-N -1 1 385.432 1.420 20 0 GDADMM CC1(C(=O)N[C@@H]2[C@H]3CN(c4nc(Cl)c(-c5nnn[n-]5)s4)C[C@H]32)CCC1 ZINC001575614574 950540507 /nfs/dbraw/zinc/54/05/07/950540507.db2.gz IRRJTFFJNAVTED-BRPSZJMVSA-N -1 1 379.877 1.718 20 0 GDADMM CC1(C(=O)N[C@@H]2[C@H]3CN(c4nc(Cl)c(-c5nn[n-]n5)s4)C[C@H]32)CCC1 ZINC001575614574 950540520 /nfs/dbraw/zinc/54/05/20/950540520.db2.gz IRRJTFFJNAVTED-BRPSZJMVSA-N -1 1 379.877 1.718 20 0 GDADMM CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nnn[n-]2)CC(F)(F)C1 ZINC001575614753 950551009 /nfs/dbraw/zinc/55/10/09/950551009.db2.gz OVERDYZJRSJYGF-VWYCJHECSA-N -1 1 390.398 1.318 20 0 GDADMM CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nn[n-]n2)CC(F)(F)C1 ZINC001575614753 950551022 /nfs/dbraw/zinc/55/10/22/950551022.db2.gz OVERDYZJRSJYGF-VWYCJHECSA-N -1 1 390.398 1.318 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CCCC1 ZINC001573868882 950551453 /nfs/dbraw/zinc/55/14/53/950551453.db2.gz HGADXUSWPWTONV-CYBMUJFWSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573868882 950551470 /nfs/dbraw/zinc/55/14/70/950551470.db2.gz HGADXUSWPWTONV-CYBMUJFWSA-N -1 1 388.476 1.559 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575615599 950569762 /nfs/dbraw/zinc/56/97/62/950569762.db2.gz CSDABZWJHSBAJR-LBPRGKRZSA-N -1 1 384.488 1.554 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001574511712 950572255 /nfs/dbraw/zinc/57/22/55/950572255.db2.gz QYJLZCGFDQFOLD-UONOGXRCSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001574511712 950572277 /nfs/dbraw/zinc/57/22/77/950572277.db2.gz QYJLZCGFDQFOLD-UONOGXRCSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C)c1ccccc1 ZINC001574511898 950574088 /nfs/dbraw/zinc/57/40/88/950574088.db2.gz VIMOZXLDHGRDJU-CKEIUWERSA-N -1 1 392.467 1.791 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C)c1ccccc1 ZINC001574511898 950574102 /nfs/dbraw/zinc/57/41/02/950574102.db2.gz VIMOZXLDHGRDJU-CKEIUWERSA-N -1 1 392.467 1.791 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@]12CCC[C@@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001573869923 950582279 /nfs/dbraw/zinc/58/22/79/950582279.db2.gz RQLGZJMAZJKALV-SCLBCKFNSA-N -1 1 386.460 1.089 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@]12CCC[C@@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001573869923 950582298 /nfs/dbraw/zinc/58/22/98/950582298.db2.gz RQLGZJMAZJKALV-SCLBCKFNSA-N -1 1 386.460 1.089 20 0 GDADMM CC1(C)C(C(=O)NCC[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)C1(C)C ZINC001575616519 950586306 /nfs/dbraw/zinc/58/63/06/950586306.db2.gz QQKPZLIMGRSJSC-GFCCVEGCSA-N -1 1 384.488 1.672 20 0 GDADMM CC1(C)C(C(=O)NCC[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)C1(C)C ZINC001575616519 950586323 /nfs/dbraw/zinc/58/63/23/950586323.db2.gz QQKPZLIMGRSJSC-GFCCVEGCSA-N -1 1 384.488 1.672 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575616903 950591257 /nfs/dbraw/zinc/59/12/57/950591257.db2.gz TXLLHPDXCYRKBH-GFCCVEGCSA-N -1 1 384.488 1.554 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C12CCC2 ZINC001573870282 950592546 /nfs/dbraw/zinc/59/25/46/950592546.db2.gz UROLZCDKBWMRLA-CHWSQXEVSA-N -1 1 386.460 1.311 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C12CCC2 ZINC001573870282 950592563 /nfs/dbraw/zinc/59/25/63/950592563.db2.gz UROLZCDKBWMRLA-CHWSQXEVSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)cs1)CNc1nccnc1-c1nnn[n-]1 ZINC001575000168 950599481 /nfs/dbraw/zinc/59/94/81/950599481.db2.gz BDDGECLPDZAVCQ-QMMMGPOBSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)cs1)CNc1nccnc1-c1nn[n-]n1 ZINC001575000168 950599498 /nfs/dbraw/zinc/59/94/98/950599498.db2.gz BDDGECLPDZAVCQ-QMMMGPOBSA-N -1 1 378.849 1.850 20 0 GDADMM CC1(C)C(C(=O)NCC[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1(C)C ZINC001575617265 950600224 /nfs/dbraw/zinc/60/02/24/950600224.db2.gz ZFYSPYBYSSBOCG-GFCCVEGCSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C[C@@H](C)c1cccc(F)c1 ZINC001574513351 950605603 /nfs/dbraw/zinc/60/56/03/950605603.db2.gz PESJSWVKLDGWHS-VXGBXAGGSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@@H](C)c1cccc(F)c1 ZINC001574513351 950605622 /nfs/dbraw/zinc/60/56/22/950605622.db2.gz PESJSWVKLDGWHS-VXGBXAGGSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc2ccccc2o1 ZINC001575919076 950606193 /nfs/dbraw/zinc/60/61/93/950606193.db2.gz FWQHYRZBEPEOHJ-YPMHNXCESA-N -1 1 390.407 1.540 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccn(C(C)(C)C)n1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574758315 950608430 /nfs/dbraw/zinc/60/84/30/950608430.db2.gz AQOSRFIQLNKDGY-NSHDSACASA-N -1 1 384.448 1.181 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccn(C(C)(C)C)n1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574758315 950608450 /nfs/dbraw/zinc/60/84/50/950608450.db2.gz AQOSRFIQLNKDGY-NSHDSACASA-N -1 1 384.448 1.181 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C)c1ccco1 ZINC001574513536 950609125 /nfs/dbraw/zinc/60/91/25/950609125.db2.gz SFMXQZJWIXQLHT-UPJWGTAASA-N -1 1 382.428 1.527 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C)c1ccco1 ZINC001574513536 950609136 /nfs/dbraw/zinc/60/91/36/950609136.db2.gz SFMXQZJWIXQLHT-UPJWGTAASA-N -1 1 382.428 1.527 20 0 GDADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCC1CCCCC1 ZINC001575919393 950613283 /nfs/dbraw/zinc/61/32/83/950613283.db2.gz HPZXYWTXJCNKHG-DZGCQCFKSA-N -1 1 384.488 1.840 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccccn1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574758739 950617129 /nfs/dbraw/zinc/61/71/29/950617129.db2.gz GALMQRTYNNHQKJ-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CN(C)C(=O)c1cccc2c1CCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574758601 950619193 /nfs/dbraw/zinc/61/91/93/950619193.db2.gz FKXQOYBSOJGTQY-GFCCVEGCSA-N -1 1 378.440 1.718 20 0 GDADMM C[C@H](CN(C)C(=O)c1cccc2c1CCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574758601 950619204 /nfs/dbraw/zinc/61/92/04/950619204.db2.gz FKXQOYBSOJGTQY-GFCCVEGCSA-N -1 1 378.440 1.718 20 0 GDADMM C[C@H](CNC(=O)c1cc2c(o1)CCCC2)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575001497 950631925 /nfs/dbraw/zinc/63/19/25/950631925.db2.gz LRFDLSLSDNTQPU-NSHDSACASA-N -1 1 382.428 1.607 20 0 GDADMM C[C@H](CNC(=O)c1cc2c(o1)CCCC2)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575001497 950631940 /nfs/dbraw/zinc/63/19/40/950631940.db2.gz LRFDLSLSDNTQPU-NSHDSACASA-N -1 1 382.428 1.607 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)cs1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575001338 950631989 /nfs/dbraw/zinc/63/19/89/950631989.db2.gz KQRXNKFMXHTOMD-MRVPVSSYSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)cs1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575001338 950631999 /nfs/dbraw/zinc/63/19/99/950631999.db2.gz KQRXNKFMXHTOMD-MRVPVSSYSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)CC(C)(C)C ZINC001574516326 950637376 /nfs/dbraw/zinc/63/73/76/950637376.db2.gz HWLSQWPPWJPAII-FJZAXULXSA-N -1 1 384.488 1.670 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)CC(C)(C)C ZINC001574516326 950637384 /nfs/dbraw/zinc/63/73/84/950637384.db2.gz HWLSQWPPWJPAII-FJZAXULXSA-N -1 1 384.488 1.670 20 0 GDADMM CCN1CCN(c2ccc(Cl)cc2NC(=O)N[C@]2(C(=O)[O-])CCOC2)CC1 ZINC001589744401 950651406 /nfs/dbraw/zinc/65/14/06/950651406.db2.gz NYEXONREROPZAI-GOSISDBHSA-N -1 1 396.875 1.847 20 0 GDADMM CC1(C)CC(C(=O)N2CCC[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]32)C1 ZINC001575623492 950651897 /nfs/dbraw/zinc/65/18/97/950651897.db2.gz ATWQHOAENBWRQE-GXTWGEPZSA-N -1 1 382.472 1.520 20 0 GDADMM C[C@H](CN(C)C(=O)c1cccc2c1CCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001574760246 950661024 /nfs/dbraw/zinc/66/10/24/950661024.db2.gz UXBZTFFGBUFAMG-GFCCVEGCSA-N -1 1 378.440 1.718 20 0 GDADMM C[C@H](CN(C)C(=O)c1cccc2c1CCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001574760246 950661038 /nfs/dbraw/zinc/66/10/38/950661038.db2.gz UXBZTFFGBUFAMG-GFCCVEGCSA-N -1 1 378.440 1.718 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)cc(Cl)c1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575003239 950676214 /nfs/dbraw/zinc/67/62/14/950676214.db2.gz ZUPYTWGCSJCKSX-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)cc(Cl)c1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575003239 950676229 /nfs/dbraw/zinc/67/62/29/950676229.db2.gz ZUPYTWGCSJCKSX-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM CC1(C)CC(C(=O)N2CC[C@@]3(CCN(c4cncc(-c5nnn[n-]5)n4)C3)C2)C1 ZINC001575625156 950682881 /nfs/dbraw/zinc/68/28/81/950682881.db2.gz PVBLSSDPQCAPPD-LJQANCHMSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)CC(C(=O)N2CC[C@@]3(CCN(c4cncc(-c5nn[n-]n5)n4)C3)C2)C1 ZINC001575625156 950682889 /nfs/dbraw/zinc/68/28/89/950682889.db2.gz PVBLSSDPQCAPPD-LJQANCHMSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CC1CC(F)(F)C1 ZINC001575925599 950688574 /nfs/dbraw/zinc/68/85/74/950688574.db2.gz HRZNFLCSBSGPON-KOLCDFICSA-N -1 1 378.387 1.493 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CC1CC(F)(F)C1 ZINC001575925599 950688588 /nfs/dbraw/zinc/68/85/88/950688588.db2.gz HRZNFLCSBSGPON-KOLCDFICSA-N -1 1 378.387 1.493 20 0 GDADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc2cc[nH]c2c1 ZINC001575925841 950692328 /nfs/dbraw/zinc/69/23/28/950692328.db2.gz VGIGYJVRWXVYMK-FZMZJTMJSA-N -1 1 389.423 1.275 20 0 GDADMM CC1(C)CC(C(=O)N2CCC[C@H](CCNc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001575625860 950701015 /nfs/dbraw/zinc/70/10/15/950701015.db2.gz YUVAURBHSWNXRE-CYBMUJFWSA-N -1 1 384.488 1.555 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccc2c(c1)COC2 ZINC001575926217 950704316 /nfs/dbraw/zinc/70/43/16/950704316.db2.gz WOHBZFSQFYGSMA-XHDPSFHLSA-N -1 1 392.423 1.402 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccc2c(c1)COC2 ZINC001575926217 950704333 /nfs/dbraw/zinc/70/43/33/950704333.db2.gz WOHBZFSQFYGSMA-XHDPSFHLSA-N -1 1 392.423 1.402 20 0 GDADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccccc1Cl ZINC001575926275 950704853 /nfs/dbraw/zinc/70/48/53/950704853.db2.gz XFBQPKZJVHUXTN-GXFFZTMASA-N -1 1 384.831 1.447 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cccc(Cl)c1 ZINC001575926272 950706759 /nfs/dbraw/zinc/70/67/59/950706759.db2.gz XELPCHRPFKTIRJ-MFKMUULPSA-N -1 1 384.831 1.447 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C)c1ccco1 ZINC001574520028 950707752 /nfs/dbraw/zinc/70/77/52/950707752.db2.gz ZXBLRCRZYJBJMI-UPJWGTAASA-N -1 1 382.428 1.527 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C)c1ccco1 ZINC001574520028 950707767 /nfs/dbraw/zinc/70/77/67/950707767.db2.gz ZXBLRCRZYJBJMI-UPJWGTAASA-N -1 1 382.428 1.527 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001573878410 950710420 /nfs/dbraw/zinc/71/04/20/950710420.db2.gz PSTJSENWELFUIW-XGFWRYKXSA-N -1 1 382.472 1.137 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576215834 950714621 /nfs/dbraw/zinc/71/46/21/950714621.db2.gz BUGHFRDAGAJKER-MNOVXSKESA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576215834 950714634 /nfs/dbraw/zinc/71/46/34/950714634.db2.gz BUGHFRDAGAJKER-MNOVXSKESA-N -1 1 392.414 1.599 20 0 GDADMM CC1(C)CC(C(=O)NC[C@H](CO)Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001575628498 950718560 /nfs/dbraw/zinc/71/85/60/950718560.db2.gz DRAIUPYVQREOMB-MRVPVSSYSA-N -1 1 385.881 1.302 20 0 GDADMM CC1(C)CC(C(=O)NC[C@H](CO)Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001575628498 950718571 /nfs/dbraw/zinc/71/85/71/950718571.db2.gz DRAIUPYVQREOMB-MRVPVSSYSA-N -1 1 385.881 1.302 20 0 GDADMM CC1(C)CC(C(=O)N[C@H]2CC23CCN(c2nccnc2-c2nnn[n-]2)CC3)C1 ZINC001575629055 950731465 /nfs/dbraw/zinc/73/14/65/950731465.db2.gz JMIOVRZNNCVTJI-ZDUSSCGKSA-N -1 1 382.472 1.568 20 0 GDADMM CC1(C)CC(C(=O)N[C@H]2CC23CCN(c2nccnc2-c2nn[n-]n2)CC3)C1 ZINC001575629055 950731480 /nfs/dbraw/zinc/73/14/80/950731480.db2.gz JMIOVRZNNCVTJI-ZDUSSCGKSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)c2ccccc2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576216583 950736330 /nfs/dbraw/zinc/73/63/30/950736330.db2.gz DMDUSVMYNCZXMQ-UKRRQHHQSA-N -1 1 392.467 1.315 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576217069 950754649 /nfs/dbraw/zinc/75/46/49/950754649.db2.gz GSWDHVLJVFUDQR-VHSXEESVSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576217069 950754664 /nfs/dbraw/zinc/75/46/64/950754664.db2.gz GSWDHVLJVFUDQR-VHSXEESVSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@@H](CN(C)C(=O)c1scnc1Cl)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574765248 950780848 /nfs/dbraw/zinc/78/08/48/950780848.db2.gz ATHDIZQPDXDLFA-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CN(C)C(=O)c1scnc1Cl)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574765248 950780860 /nfs/dbraw/zinc/78/08/60/950780860.db2.gz ATHDIZQPDXDLFA-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H]1[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)CCN1C(=O)c1ccon1 ZINC001575929562 950787000 /nfs/dbraw/zinc/78/70/00/950787000.db2.gz CPDRBKONSJQAEB-RNFRBKRXSA-N -1 1 380.821 1.680 20 0 GDADMM C[C@@H]1[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCN1C(=O)c1ccon1 ZINC001575929562 950787013 /nfs/dbraw/zinc/78/70/13/950787013.db2.gz CPDRBKONSJQAEB-RNFRBKRXSA-N -1 1 380.821 1.680 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C(C)(F)F)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576218791 950794830 /nfs/dbraw/zinc/79/48/30/950794830.db2.gz RPABEUZJPWQUKY-VHSXEESVSA-N -1 1 380.403 1.019 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576219138 950804685 /nfs/dbraw/zinc/80/46/85/950804685.db2.gz NLEIHEBMFDDYJU-MNOVXSKESA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576219138 950804702 /nfs/dbraw/zinc/80/47/02/950804702.db2.gz NLEIHEBMFDDYJU-MNOVXSKESA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576219463 950805336 /nfs/dbraw/zinc/80/53/36/950805336.db2.gz NVSLHFXILMBPOK-VHSXEESVSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576219463 950805365 /nfs/dbraw/zinc/80/53/65/950805365.db2.gz NVSLHFXILMBPOK-VHSXEESVSA-N -1 1 378.387 1.351 20 0 GDADMM CC1(C)CC(CC(=O)N2CC[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]32)C1 ZINC001575633724 950816811 /nfs/dbraw/zinc/81/68/11/950816811.db2.gz UPTBJNPUFYVNKE-UONOGXRCSA-N -1 1 382.472 1.520 20 0 GDADMM CC(C)CCCC(=O)N1CCO[C@@H]([C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574186655 950820650 /nfs/dbraw/zinc/82/06/50/950820650.db2.gz HRVNYIGMJYFHGO-UKRRQHHQSA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)CCCC(=O)N1CCO[C@@H]([C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574186655 950820675 /nfs/dbraw/zinc/82/06/75/950820675.db2.gz HRVNYIGMJYFHGO-UKRRQHHQSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cccc2c1CCC2 ZINC001575932248 950821240 /nfs/dbraw/zinc/82/12/40/950821240.db2.gz LBWMXBWYJXESOR-BLLLJJGKSA-N -1 1 390.451 1.861 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cccc2c1CCC2 ZINC001575932248 950821263 /nfs/dbraw/zinc/82/12/63/950821263.db2.gz LBWMXBWYJXESOR-BLLLJJGKSA-N -1 1 390.451 1.861 20 0 GDADMM CC(C)(C)c1nc[nH]c1C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573885505 950827726 /nfs/dbraw/zinc/82/77/26/950827726.db2.gz STEBWHOHVISOFL-SNVBAGLBSA-N -1 1 382.432 1.004 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCc1nccs1 ZINC001575932295 950831388 /nfs/dbraw/zinc/83/13/88/950831388.db2.gz LQJXKXANMIEISH-WDEREUQCSA-N -1 1 385.457 1.147 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1nccs1 ZINC001575932295 950831411 /nfs/dbraw/zinc/83/14/11/950831411.db2.gz LQJXKXANMIEISH-WDEREUQCSA-N -1 1 385.457 1.147 20 0 GDADMM CC(C)CCCC(=O)N1CC[C@@H]2[C@H](CCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001574187822 950840564 /nfs/dbraw/zinc/84/05/64/950840564.db2.gz QVFHQJZVBUHJEY-HUUCEWRRSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CCCC(=O)N1CC[C@@H]2[C@H](CCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001574187822 950840580 /nfs/dbraw/zinc/84/05/80/950840580.db2.gz QVFHQJZVBUHJEY-HUUCEWRRSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](CN(C)C(=O)c1n[nH]cc1F)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574767265 950841217 /nfs/dbraw/zinc/84/12/17/950841217.db2.gz OUUUAGLMRNYZBE-RXMQYKEDSA-N -1 1 385.816 1.411 20 0 GDADMM CC(C)CCCC(=O)N1CCO[C@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574188198 950844373 /nfs/dbraw/zinc/84/43/73/950844373.db2.gz SYPAGHRCTUVBGG-HIFRSBDPSA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)CCCC(=O)N1CCO[C@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574188198 950844393 /nfs/dbraw/zinc/84/43/93/950844393.db2.gz SYPAGHRCTUVBGG-HIFRSBDPSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CN(C)C(=O)c1noc2c1CCCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574767393 950845228 /nfs/dbraw/zinc/84/52/28/950845228.db2.gz NIXLCSZLTSWUAX-JTQLQIEISA-N -1 1 383.416 1.096 20 0 GDADMM C[C@@H](CN(C)C(=O)c1noc2c1CCCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574767393 950845253 /nfs/dbraw/zinc/84/52/53/950845253.db2.gz NIXLCSZLTSWUAX-JTQLQIEISA-N -1 1 383.416 1.096 20 0 GDADMM CC(C)CCCC(=O)N1CC[C@H]2[C@@H](CCN2c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574188250 950852264 /nfs/dbraw/zinc/85/22/64/950852264.db2.gz VSLONKQXHRGXJH-HOCLYGCPSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CCCC(=O)N1CC[C@H]2[C@@H](CCN2c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574188250 950852284 /nfs/dbraw/zinc/85/22/84/950852284.db2.gz VSLONKQXHRGXJH-HOCLYGCPSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CN(C(=O)C(C2CC2)C2CC2)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576221695 950860925 /nfs/dbraw/zinc/86/09/25/950860925.db2.gz VZLHZWQCLBBMGY-FZMZJTMJSA-N -1 1 382.472 1.742 20 0 GDADMM C[C@H]1CN(C(=O)C(C2CC2)C2CC2)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576221695 950860933 /nfs/dbraw/zinc/86/09/33/950860933.db2.gz VZLHZWQCLBBMGY-FZMZJTMJSA-N -1 1 382.472 1.742 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C(F)F)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576222331 950869499 /nfs/dbraw/zinc/86/94/99/950869499.db2.gz YADNKGPEJIUORG-UWVGGRQHSA-N -1 1 380.403 1.454 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C(F)F)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576222331 950869514 /nfs/dbraw/zinc/86/95/14/950869514.db2.gz YADNKGPEJIUORG-UWVGGRQHSA-N -1 1 380.403 1.454 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C(F)F)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576222361 950869737 /nfs/dbraw/zinc/86/97/37/950869737.db2.gz YHKARSMXAIALKT-ZJUUUORDSA-N -1 1 380.403 1.019 20 0 GDADMM C[C@H](CN(C)C(=O)c1coc(C(C)(C)C)n1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574768078 950880648 /nfs/dbraw/zinc/88/06/48/950880648.db2.gz XLMSJCYEJNFWFO-SNVBAGLBSA-N -1 1 385.432 1.515 20 0 GDADMM C[C@H](CN(C)C(=O)c1coc(C(C)(C)C)n1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574768078 950880660 /nfs/dbraw/zinc/88/06/60/950880660.db2.gz XLMSJCYEJNFWFO-SNVBAGLBSA-N -1 1 385.432 1.515 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)COc1ccccc1 ZINC001575935458 950881638 /nfs/dbraw/zinc/88/16/38/950881638.db2.gz WPXYENXRZBYIPD-JSGCOSHPSA-N -1 1 380.412 1.137 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)COc1ccccc1 ZINC001575935458 950881654 /nfs/dbraw/zinc/88/16/54/950881654.db2.gz WPXYENXRZBYIPD-JSGCOSHPSA-N -1 1 380.412 1.137 20 0 GDADMM C[C@H]1CN(C(=O)C2CC3(CCC3)C2)CC[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576226432 950881996 /nfs/dbraw/zinc/88/19/96/950881996.db2.gz BIAMDGPSJFUORN-GXTWGEPZSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@H]1CN(C(=O)C2CC3(CCC3)C2)CC[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576226432 950882013 /nfs/dbraw/zinc/88/20/13/950882013.db2.gz BIAMDGPSJFUORN-GXTWGEPZSA-N -1 1 382.472 1.886 20 0 GDADMM CC(C)CCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001574189438 950883927 /nfs/dbraw/zinc/88/39/27/950883927.db2.gz KWMNTQLEGVAMFJ-KKUMJFAQSA-N -1 1 384.488 1.957 20 0 GDADMM CC(C)CCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001574189438 950883942 /nfs/dbraw/zinc/88/39/42/950883942.db2.gz KWMNTQLEGVAMFJ-KKUMJFAQSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@@H]1CN(C(=O)C2CC3(CC3)C2)CC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576227292 950906830 /nfs/dbraw/zinc/90/68/30/950906830.db2.gz FOCXUHMAKAMYSM-CHWSQXEVSA-N -1 1 382.472 1.165 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)CC(F)(F)C2)CC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576227545 950914399 /nfs/dbraw/zinc/91/43/99/950914399.db2.gz DQYMWGNXPFISIR-WDEREUQCSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)CC(F)(F)C2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576227545 950914413 /nfs/dbraw/zinc/91/44/13/950914413.db2.gz DQYMWGNXPFISIR-WDEREUQCSA-N -1 1 392.414 1.741 20 0 GDADMM CC(C)CCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1nccnc1-c1nnn[n-]1)C2 ZINC001574190602 950916826 /nfs/dbraw/zinc/91/68/26/950916826.db2.gz ZDLZRQKANSTBLE-ZNMIVQPWSA-N -1 1 384.488 1.957 20 0 GDADMM CC(C)CCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1nccnc1-c1nn[n-]n1)C2 ZINC001574190602 950916836 /nfs/dbraw/zinc/91/68/36/950916836.db2.gz ZDLZRQKANSTBLE-ZNMIVQPWSA-N -1 1 384.488 1.957 20 0 GDADMM CC1(C)C[C@H]1C(=O)N1CCC[C@@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001575641611 950923726 /nfs/dbraw/zinc/92/37/26/950923726.db2.gz CKLIQTPQFCVWBF-DJJJIMSYSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)C[C@H]1C(=O)N1CCC[C@@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001575641611 950923743 /nfs/dbraw/zinc/92/37/43/950923743.db2.gz CKLIQTPQFCVWBF-DJJJIMSYSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc2c(c1)CCO2 ZINC001575936786 950928166 /nfs/dbraw/zinc/92/81/66/950928166.db2.gz IGBVCCJLBLBJFD-SMDDNHRTSA-N -1 1 392.423 1.307 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc2c(c1)CCO2 ZINC001575936786 950928185 /nfs/dbraw/zinc/92/81/85/950928185.db2.gz IGBVCCJLBLBJFD-SMDDNHRTSA-N -1 1 392.423 1.307 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCCn1cccc1 ZINC001575936739 950928508 /nfs/dbraw/zinc/92/85/08/950928508.db2.gz HYJQYEDLHHTKTQ-KBPBESRZSA-N -1 1 381.444 1.340 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCCn1cccc1 ZINC001575936739 950928531 /nfs/dbraw/zinc/92/85/31/950928531.db2.gz HYJQYEDLHHTKTQ-KBPBESRZSA-N -1 1 381.444 1.340 20 0 GDADMM C[C@@H]1CN(C(=O)C2CCC3(CC3)CC2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576228106 950928933 /nfs/dbraw/zinc/92/89/33/950928933.db2.gz IZEJDCFHLFHYFA-OCCSQVGLSA-N -1 1 382.472 1.308 20 0 GDADMM CC1(C)C[C@@H](NC(=O)[C@@H]2C[C@H]2C2CC2)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575641904 950929403 /nfs/dbraw/zinc/92/94/03/950929403.db2.gz RNLCCNAIUHIOQW-SOUVJXGZSA-N -1 1 396.499 1.814 20 0 GDADMM CC1(C)C[C@@H](NC(=O)[C@@H]2C[C@H]2C2CC2)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575641904 950929417 /nfs/dbraw/zinc/92/94/17/950929417.db2.gz RNLCCNAIUHIOQW-SOUVJXGZSA-N -1 1 396.499 1.814 20 0 GDADMM C[C@@H]1CN(C(=O)C2CC3(CC3)C2)CC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576228039 950930964 /nfs/dbraw/zinc/93/09/64/950930964.db2.gz IFZHCLOZGIFOBY-OLZOCXBDSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@@H]1CN(C(=O)C2CC3(CC3)C2)CC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576228039 950930979 /nfs/dbraw/zinc/93/09/79/950930979.db2.gz IFZHCLOZGIFOBY-OLZOCXBDSA-N -1 1 382.472 1.743 20 0 GDADMM CC1(C)C[C@@H](NC(=O)c2ccoc2)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575642012 950931104 /nfs/dbraw/zinc/93/11/04/950931104.db2.gz SNWFPIHHXVIRSR-ZDUSSCGKSA-N -1 1 382.428 1.675 20 0 GDADMM CC1(C)C[C@@H](NC(=O)c2ccoc2)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575642012 950931115 /nfs/dbraw/zinc/93/11/15/950931115.db2.gz SNWFPIHHXVIRSR-ZDUSSCGKSA-N -1 1 382.428 1.675 20 0 GDADMM C[C@@H]1CN(C(=O)CC(C)(C)C2CC2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576229471 950968726 /nfs/dbraw/zinc/96/87/26/950968726.db2.gz NBXZUFIJAXQCNQ-CHWSQXEVSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H]1CN(C(=O)CC(C)(C)C2CC2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576229471 950968739 /nfs/dbraw/zinc/96/87/39/950968739.db2.gz NBXZUFIJAXQCNQ-CHWSQXEVSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)CCCCCC2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576229542 950973020 /nfs/dbraw/zinc/97/30/20/950973020.db2.gz KEKCQMKJSXLOPZ-UONOGXRCSA-N -1 1 384.488 1.698 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C3CCC3)CCC2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576229532 950973937 /nfs/dbraw/zinc/97/39/37/950973937.db2.gz KDQBHAHKRJHTMH-DOMZBBRYSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C3CCC3)CCC2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576229532 950973954 /nfs/dbraw/zinc/97/39/54/950973954.db2.gz KDQBHAHKRJHTMH-DOMZBBRYSA-N -1 1 382.472 1.886 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573900016 950992254 /nfs/dbraw/zinc/99/22/54/950992254.db2.gz PKQMPGLXTCRGAB-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573900016 950992275 /nfs/dbraw/zinc/99/22/75/950992275.db2.gz PKQMPGLXTCRGAB-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM CC1CC(C(=O)N(C)C[C@@H](O)CNc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001575939066 951002246 /nfs/dbraw/zinc/00/22/46/951002246.db2.gz OTHPDHXTWHREAO-HACHORDNSA-N -1 1 385.881 1.254 20 0 GDADMM CC1CC(C(=O)N(C)C[C@@H](O)CNc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001575939066 951002265 /nfs/dbraw/zinc/00/22/65/951002265.db2.gz OTHPDHXTWHREAO-HACHORDNSA-N -1 1 385.881 1.254 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)F)cc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575017766 951009718 /nfs/dbraw/zinc/00/97/18/951009718.db2.gz JXQAGEUUMDMSAL-JTQLQIEISA-N -1 1 388.382 1.849 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)F)cc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575017766 951009731 /nfs/dbraw/zinc/00/97/31/951009731.db2.gz JXQAGEUUMDMSAL-JTQLQIEISA-N -1 1 388.382 1.849 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)F)nc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575019504 951040582 /nfs/dbraw/zinc/04/05/82/951040582.db2.gz UABMCAXJAPCFMO-MRVPVSSYSA-N -1 1 375.343 1.220 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)F)nc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575019504 951040585 /nfs/dbraw/zinc/04/05/85/951040585.db2.gz UABMCAXJAPCFMO-MRVPVSSYSA-N -1 1 375.343 1.220 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)c(Cl)c1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575021631 951065198 /nfs/dbraw/zinc/06/51/98/951065198.db2.gz DXPMYSHKQYPWIS-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)c(F)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575023766 951083602 /nfs/dbraw/zinc/08/36/02/951083602.db2.gz PHWSJIHRZJVGGO-QMMMGPOBSA-N -1 1 376.783 1.102 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)cc1F)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575024151 951093226 /nfs/dbraw/zinc/09/32/26/951093226.db2.gz WJBUQVSJIFFDEL-SECBINFHSA-N -1 1 390.810 1.349 20 0 GDADMM CCOC(=O)c1cn[nH]c1[C@H]1CCN(C(=O)C2(C(=O)[O-])CCSCC2)C1 ZINC001591197082 951095441 /nfs/dbraw/zinc/09/54/41/951095441.db2.gz LMATUBCVZBVKSR-NSHDSACASA-N -1 1 381.454 1.500 20 0 GDADMM CC(C)Oc1ccc(C(=O)NC[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)cn1 ZINC001575024596 951109213 /nfs/dbraw/zinc/10/92/13/951109213.db2.gz ISXYTDKPOKSTSK-NSHDSACASA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1ccc(C(=O)NC[C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)cn1 ZINC001575024596 951109222 /nfs/dbraw/zinc/10/92/22/951109222.db2.gz ISXYTDKPOKSTSK-NSHDSACASA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1ccc(C(=O)NC[C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)cn1 ZINC001575024595 951109675 /nfs/dbraw/zinc/10/96/75/951109675.db2.gz ISXYTDKPOKSTSK-LLVKDONJSA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1ccc(C(=O)NC[C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)cn1 ZINC001575024595 951109683 /nfs/dbraw/zinc/10/96/83/951109683.db2.gz ISXYTDKPOKSTSK-LLVKDONJSA-N -1 1 383.416 1.069 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(=O)[nH]1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575026416 951142638 /nfs/dbraw/zinc/14/26/38/951142638.db2.gz JHQSFFXBVBDGMQ-LURJTMIESA-N -1 1 380.821 1.308 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(=O)[nH]1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575026416 951142648 /nfs/dbraw/zinc/14/26/48/951142648.db2.gz JHQSFFXBVBDGMQ-LURJTMIESA-N -1 1 380.821 1.308 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2c1CCC2)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575028254 951172552 /nfs/dbraw/zinc/17/25/52/951172552.db2.gz NBHGRBMRNRKQNE-GFCCVEGCSA-N -1 1 378.440 1.045 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(C(F)(F)F)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575029090 951184838 /nfs/dbraw/zinc/18/48/38/951184838.db2.gz ZFDUWWSZNZFVTL-VIFPVBQESA-N -1 1 392.345 1.906 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(C(F)(F)F)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575029090 951184849 /nfs/dbraw/zinc/18/48/49/951184849.db2.gz ZFDUWWSZNZFVTL-VIFPVBQESA-N -1 1 392.345 1.906 20 0 GDADMM O=C([O-])CC[C@@H]1C[C@H](C(=O)Nc2cc(C(=O)OCc3ccccc3)[nH]n2)CO1 ZINC001595004934 951186688 /nfs/dbraw/zinc/18/66/88/951186688.db2.gz MDIHHVWONUUZLT-UONOGXRCSA-N -1 1 387.392 1.975 20 0 GDADMM C[C@@H](CNC(=O)c1cccnc1C1CC1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575032196 951218586 /nfs/dbraw/zinc/21/85/86/951218586.db2.gz TUAMTGNPEQRBAH-NSHDSACASA-N -1 1 379.428 1.184 20 0 GDADMM C[C@@H](CNC(=O)c1cccnc1C1CC1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575032196 951218598 /nfs/dbraw/zinc/21/85/98/951218598.db2.gz TUAMTGNPEQRBAH-NSHDSACASA-N -1 1 379.428 1.184 20 0 GDADMM C[C@@H](CNC(=O)c1ccnc(C2CC2)c1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575035965 951285660 /nfs/dbraw/zinc/28/56/60/951285660.db2.gz NCALIUYXWLWKJL-NSHDSACASA-N -1 1 379.428 1.184 20 0 GDADMM C[C@@H](CNC(=O)c1ccnc(C2CC2)c1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575035965 951285674 /nfs/dbraw/zinc/28/56/74/951285674.db2.gz NCALIUYXWLWKJL-NSHDSACASA-N -1 1 379.428 1.184 20 0 GDADMM O=C([O-])[C@H]1CN(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)Cc2ccccc21 ZINC000386036820 951289731 /nfs/dbraw/zinc/28/97/31/951289731.db2.gz CWLDLERPUVNVMO-KDOFPFPSSA-N -1 1 380.400 1.328 20 0 GDADMM CCOc1cc(CN[C@H]2CCCCN(CC(=O)[O-])C2=O)ccc1OC(=O)CC ZINC001592184361 951305737 /nfs/dbraw/zinc/30/57/37/951305737.db2.gz HVHUDOVWZGNFHJ-HNNXBMFYSA-N -1 1 392.452 1.956 20 0 GDADMM C[C@@H](CNC(=O)c1ccsc1C(F)F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575037865 951310365 /nfs/dbraw/zinc/31/03/65/951310365.db2.gz DGDHWCDYFOBKLE-ZETCQYMHSA-N -1 1 380.384 1.308 20 0 GDADMM O=C([O-])CC[C@H]1CCCN(C(=O)c2n[nH]cc2I)C1 ZINC001595019679 951314704 /nfs/dbraw/zinc/31/47/04/951314704.db2.gz ZXWYVBXUNKDSIP-MRVPVSSYSA-N -1 1 377.182 1.731 20 0 GDADMM C[C@@H](CNC(=O)c1cn(-c2ccccc2)cn1)Nc1nccnc1-c1nnn[n-]1 ZINC001575040379 951343414 /nfs/dbraw/zinc/34/34/14/951343414.db2.gz WAVWYHUFMQBIBO-LBPRGKRZSA-N -1 1 390.411 1.073 20 0 GDADMM C[C@@H](CNC(=O)c1cn(-c2ccccc2)cn1)Nc1nccnc1-c1nn[n-]n1 ZINC001575040379 951343425 /nfs/dbraw/zinc/34/34/25/951343425.db2.gz WAVWYHUFMQBIBO-LBPRGKRZSA-N -1 1 390.411 1.073 20 0 GDADMM C[C@H](CNC(=O)c1cnc(C(C)(C)C)s1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575043991 951407641 /nfs/dbraw/zinc/40/76/41/951407641.db2.gz NPPCEYKBMBTVCI-SECBINFHSA-N -1 1 387.473 1.641 20 0 GDADMM C[C@H](CNC(=O)c1cnc(C(C)(C)C)s1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575043991 951407655 /nfs/dbraw/zinc/40/76/55/951407655.db2.gz NPPCEYKBMBTVCI-SECBINFHSA-N -1 1 387.473 1.641 20 0 GDADMM C[C@H](CNC(=O)c1cncn1C)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575046539 951442301 /nfs/dbraw/zinc/44/23/01/951442301.db2.gz OVMUYKSVMXZXFU-SSDOTTSWSA-N -1 1 381.853 1.188 20 0 GDADMM C[C@H](CNC(=O)c1cncn1C)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575046539 951442309 /nfs/dbraw/zinc/44/23/09/951442309.db2.gz OVMUYKSVMXZXFU-SSDOTTSWSA-N -1 1 381.853 1.188 20 0 GDADMM C[C@@H](CNC(=O)c1cnn(C(C)(C)C)c1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575052158 951459447 /nfs/dbraw/zinc/45/94/47/951459447.db2.gz FCFWGTRPGXBBTB-LLVKDONJSA-N -1 1 384.448 1.086 20 0 GDADMM C[C@@H](CNC(=O)c1cnn(C(C)(C)C)c1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575052158 951459452 /nfs/dbraw/zinc/45/94/52/951459452.db2.gz FCFWGTRPGXBBTB-LLVKDONJSA-N -1 1 384.448 1.086 20 0 GDADMM C[C@H](CNC(=O)c1cnns1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575053294 951477414 /nfs/dbraw/zinc/47/74/14/951477414.db2.gz ATKSYTFKKYQHNN-RXMQYKEDSA-N -1 1 385.866 1.306 20 0 GDADMM C[C@H](CNC(=O)c1cnns1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575053294 951477423 /nfs/dbraw/zinc/47/74/23/951477423.db2.gz ATKSYTFKKYQHNN-RXMQYKEDSA-N -1 1 385.866 1.306 20 0 GDADMM C[C@H](CNC(=O)c1csc2c1CCCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575060954 951552124 /nfs/dbraw/zinc/55/21/24/951552124.db2.gz KIKMXWGEALAJNA-SNVBAGLBSA-N -1 1 384.469 1.249 20 0 GDADMM C[C@@H](CNC(=O)c1ocnc1C(F)F)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575066409 951595554 /nfs/dbraw/zinc/59/55/54/951595554.db2.gz LFLIJQHRXFHFQC-SSDOTTSWSA-N -1 1 379.331 1.060 20 0 GDADMM C[C@@H](CNC(=O)c1ocnc1C(F)F)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575066409 951595564 /nfs/dbraw/zinc/59/55/64/951595564.db2.gz LFLIJQHRXFHFQC-SSDOTTSWSA-N -1 1 379.331 1.060 20 0 GDADMM C[C@@H](CNC(=O)c1scnc1C1CC1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575068619 951636266 /nfs/dbraw/zinc/63/62/66/951636266.db2.gz CJAJUGYSEHARFV-VIFPVBQESA-N -1 1 385.457 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1scnc1C1CC1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575068619 951636271 /nfs/dbraw/zinc/63/62/71/951636271.db2.gz CJAJUGYSEHARFV-VIFPVBQESA-N -1 1 385.457 1.245 20 0 GDADMM C[C@H](CNC(=O)c1sccc1Cl)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575069855 951646935 /nfs/dbraw/zinc/64/69/35/951646935.db2.gz MEKQSAUXUCVAQU-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@H](CNC(=O)c1sccc1Cl)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575069855 951646940 /nfs/dbraw/zinc/64/69/40/951646940.db2.gz MEKQSAUXUCVAQU-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@H](CNS(=O)(=O)c1ccsc1-c1nn[n-]n1)Oc1ccc(F)cc1 ZINC001575116761 951974162 /nfs/dbraw/zinc/97/41/62/951974162.db2.gz HXELORVHQGNRGI-SECBINFHSA-N -1 1 383.430 1.813 20 0 GDADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)c1ccc(Cl)[nH]1)C1CC1 ZINC001575127708 952058366 /nfs/dbraw/zinc/05/83/66/952058366.db2.gz CGTAFRZTDBLMEU-INIZCTEOSA-N -1 1 387.835 1.649 20 0 GDADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)c1ccc(Cl)[nH]1)C1CC1 ZINC001575127708 952058375 /nfs/dbraw/zinc/05/83/75/952058375.db2.gz CGTAFRZTDBLMEU-INIZCTEOSA-N -1 1 387.835 1.649 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ccc2cnccc2c1 ZINC001575131847 952088842 /nfs/dbraw/zinc/08/88/42/952088842.db2.gz BXUFAPLAENGHEO-LBPRGKRZSA-N -1 1 389.423 1.778 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ccc2cnccc2c1 ZINC001575131847 952088847 /nfs/dbraw/zinc/08/88/47/952088847.db2.gz BXUFAPLAENGHEO-LBPRGKRZSA-N -1 1 389.423 1.778 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1scnc1Cl ZINC001575134367 952110638 /nfs/dbraw/zinc/11/06/38/952110638.db2.gz HGDGAEHSDQLNRQ-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1scnc1Cl ZINC001575134367 952110643 /nfs/dbraw/zinc/11/06/43/952110643.db2.gz HGDGAEHSDQLNRQ-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)C1(Cc2ccccc2)CC1 ZINC001575135416 952117126 /nfs/dbraw/zinc/11/71/26/952117126.db2.gz RINKRTCCEQYAAB-CQSZACIVSA-N -1 1 392.467 1.938 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)C1(Cc2ccccc2)CC1 ZINC001575135416 952117132 /nfs/dbraw/zinc/11/71/32/952117132.db2.gz RINKRTCCEQYAAB-CQSZACIVSA-N -1 1 392.467 1.938 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)CCCc1ccsc1 ZINC001575136308 952124162 /nfs/dbraw/zinc/12/41/62/952124162.db2.gz URNKOXXRCAGYMQ-LBPRGKRZSA-N -1 1 386.485 2.000 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)CCCc1ccsc1 ZINC001575136308 952124170 /nfs/dbraw/zinc/12/41/70/952124170.db2.gz URNKOXXRCAGYMQ-LBPRGKRZSA-N -1 1 386.485 2.000 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)CCCc1ccsc1 ZINC001575142821 952149388 /nfs/dbraw/zinc/14/93/88/952149388.db2.gz MHDOHQBJHCULTK-GFCCVEGCSA-N -1 1 386.485 1.422 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H](c1ccccc1)C1CC1 ZINC001575144378 952165914 /nfs/dbraw/zinc/16/59/14/952165914.db2.gz VBZZQPCVBTUTQV-GUYCJALGSA-N -1 1 392.467 1.531 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(F)ccc1Cl ZINC001575144828 952172774 /nfs/dbraw/zinc/17/27/74/952172774.db2.gz MLPGOIKGVUIHFO-VIFPVBQESA-N -1 1 390.810 1.444 20 0 GDADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)CC1CC(F)(F)C1)C1CC1 ZINC001575146391 952193976 /nfs/dbraw/zinc/19/39/76/952193976.db2.gz JZRICHIIWXEXRW-MRXNPFEDSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)CC1CC(F)(F)C1)C1CC1 ZINC001575146391 952193977 /nfs/dbraw/zinc/19/39/77/952193977.db2.gz JZRICHIIWXEXRW-MRXNPFEDSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)C1CC1 ZINC001575147135 952199178 /nfs/dbraw/zinc/19/91/78/952199178.db2.gz QVPFNTIAKGDUSS-IECZYAKXSA-N -1 1 382.472 1.790 20 0 GDADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)C1CC1 ZINC001575147135 952199182 /nfs/dbraw/zinc/19/91/82/952199182.db2.gz QVPFNTIAKGDUSS-IECZYAKXSA-N -1 1 382.472 1.790 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)Cn1ccc2ccccc21 ZINC001575153000 952204973 /nfs/dbraw/zinc/20/49/73/952204973.db2.gz BTVVXVMQBRKGSZ-ZDUSSCGKSA-N -1 1 391.439 1.570 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)Cn1ccc2ccccc21 ZINC001575153000 952204978 /nfs/dbraw/zinc/20/49/78/952204978.db2.gz BTVVXVMQBRKGSZ-ZDUSSCGKSA-N -1 1 391.439 1.570 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)CC1(C(F)(F)F)CC1 ZINC001575153568 952211180 /nfs/dbraw/zinc/21/11/80/952211180.db2.gz IOWZAHSHLVXYPY-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)CC1(C(F)(F)F)CC1 ZINC001575153568 952211186 /nfs/dbraw/zinc/21/11/86/952211186.db2.gz IOWZAHSHLVXYPY-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)CC[C@H]1CC(C)(C)CO1 ZINC001575154148 952215931 /nfs/dbraw/zinc/21/59/31/952215931.db2.gz OXEJELJIGHBZRD-OLZOCXBDSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)CC[C@H]1CC(C)(C)CO1 ZINC001575154148 952215935 /nfs/dbraw/zinc/21/59/35/952215935.db2.gz OXEJELJIGHBZRD-OLZOCXBDSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)C(C)(C)C1CCOCC1 ZINC001575154128 952215956 /nfs/dbraw/zinc/21/59/56/952215956.db2.gz OHBSROGWVPAIPB-LBPRGKRZSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)C(C)(C)C1CCOCC1 ZINC001575154128 952215960 /nfs/dbraw/zinc/21/59/60/952215960.db2.gz OHBSROGWVPAIPB-LBPRGKRZSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)c1ccc(Cl)[nH]1)C1CC1 ZINC001575154508 952225262 /nfs/dbraw/zinc/22/52/62/952225262.db2.gz FFUNIGURSSQZTI-INIZCTEOSA-N -1 1 387.835 1.649 20 0 GDADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)c1ccc(Cl)[nH]1)C1CC1 ZINC001575154508 952225266 /nfs/dbraw/zinc/22/52/66/952225266.db2.gz FFUNIGURSSQZTI-INIZCTEOSA-N -1 1 387.835 1.649 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)C(C)(C)[C@@H]1CCCCO1 ZINC001575154683 952229725 /nfs/dbraw/zinc/22/97/25/952229725.db2.gz ULEKUTBMPNBIMW-OCCSQVGLSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)C(C)(C)[C@@H]1CCCCO1 ZINC001575154683 952229731 /nfs/dbraw/zinc/22/97/31/952229731.db2.gz ULEKUTBMPNBIMW-OCCSQVGLSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)C[C@H]1CCCCO1)C1CC1 ZINC001575154982 952233510 /nfs/dbraw/zinc/23/35/10/952233510.db2.gz JCRFNGQITBJBCX-FZKQIMNGSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)C[C@H]1CCCCO1)C1CC1 ZINC001575154982 952233518 /nfs/dbraw/zinc/23/35/18/952233518.db2.gz JCRFNGQITBJBCX-FZKQIMNGSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)Cc1cscn1)C1CC1 ZINC001575155067 952234605 /nfs/dbraw/zinc/23/46/05/952234605.db2.gz JYXKWIVSBUFHHY-MRXNPFEDSA-N -1 1 385.457 1.053 20 0 GDADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)Cc1cscn1)C1CC1 ZINC001575155067 952234610 /nfs/dbraw/zinc/23/46/10/952234610.db2.gz JYXKWIVSBUFHHY-MRXNPFEDSA-N -1 1 385.457 1.053 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)C(C)(C)c1ccccc1 ZINC001575155201 952236212 /nfs/dbraw/zinc/23/62/12/952236212.db2.gz XWDQOFVFTWRXFK-CYBMUJFWSA-N -1 1 380.456 1.893 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)C(C)(C)c1ccccc1 ZINC001575155201 952236216 /nfs/dbraw/zinc/23/62/16/952236216.db2.gz XWDQOFVFTWRXFK-CYBMUJFWSA-N -1 1 380.456 1.893 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cc(C(C)(C)C)on1 ZINC001575155564 952241845 /nfs/dbraw/zinc/24/18/45/952241845.db2.gz NLGNXKIOQAYRFU-SNVBAGLBSA-N -1 1 385.432 1.515 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cc(C(C)(C)C)on1 ZINC001575155564 952241848 /nfs/dbraw/zinc/24/18/48/952241848.db2.gz NLGNXKIOQAYRFU-SNVBAGLBSA-N -1 1 385.432 1.515 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)C1CCC(F)(F)CC1 ZINC001575156191 952248716 /nfs/dbraw/zinc/24/87/16/952248716.db2.gz DJHHSDCPJJTCNB-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)C1CCC(F)(F)CC1 ZINC001575156191 952248718 /nfs/dbraw/zinc/24/87/18/952248718.db2.gz DJHHSDCPJJTCNB-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1[nH]cnc1C(C)(C)C ZINC001575156399 952251990 /nfs/dbraw/zinc/25/19/90/952251990.db2.gz FJOZNSXLUYXNOB-JTQLQIEISA-N -1 1 384.448 1.250 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1[nH]cnc1C(C)(C)C ZINC001575156399 952251997 /nfs/dbraw/zinc/25/19/97/952251997.db2.gz FJOZNSXLUYXNOB-JTQLQIEISA-N -1 1 384.448 1.250 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)C1(Cc2ccccc2)CC1 ZINC001575156590 952254673 /nfs/dbraw/zinc/25/46/73/952254673.db2.gz VGKHJTDTTHCMNS-CQSZACIVSA-N -1 1 392.467 1.938 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)C1(Cc2ccccc2)CC1 ZINC001575156590 952254681 /nfs/dbraw/zinc/25/46/81/952254681.db2.gz VGKHJTDTTHCMNS-CQSZACIVSA-N -1 1 392.467 1.938 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1ncc(Cl)s1 ZINC001575156646 952257158 /nfs/dbraw/zinc/25/71/58/952257158.db2.gz HFGQHUQSEZJBSZ-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1ncc(Cl)s1 ZINC001575156646 952257164 /nfs/dbraw/zinc/25/71/64/952257164.db2.gz HFGQHUQSEZJBSZ-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)N(C)[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575157822 952268430 /nfs/dbraw/zinc/26/84/30/952268430.db2.gz POARGKCHYHIXGG-ZIAGYGMSSA-N -1 1 380.456 1.794 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)N(C)[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575157822 952268435 /nfs/dbraw/zinc/26/84/35/952268435.db2.gz POARGKCHYHIXGG-ZIAGYGMSSA-N -1 1 380.456 1.794 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1ccc2c(c1)COC2 ZINC001575158072 952270380 /nfs/dbraw/zinc/27/03/80/952270380.db2.gz RTJLJBADMYLYKS-NSHDSACASA-N -1 1 380.412 1.260 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc2c(c1)COC2 ZINC001575158072 952270386 /nfs/dbraw/zinc/27/03/86/952270386.db2.gz RTJLJBADMYLYKS-NSHDSACASA-N -1 1 380.412 1.260 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)C[C@@H]1CCCC1(F)F ZINC001575158404 952272045 /nfs/dbraw/zinc/27/20/45/952272045.db2.gz URNUIABQEIKJLK-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)C[C@@H]1CCCC1(F)F ZINC001575158404 952272052 /nfs/dbraw/zinc/27/20/52/952272052.db2.gz URNUIABQEIKJLK-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)c1ccn(C)n1 ZINC001575166527 952326636 /nfs/dbraw/zinc/32/66/36/952326636.db2.gz XFWSTBCCUXMDGW-SSDOTTSWSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCc2cccnc21 ZINC001575173872 952357793 /nfs/dbraw/zinc/35/77/93/952357793.db2.gz BWHPPOQBLJPQKC-AAEUAGOBSA-N -1 1 379.428 1.041 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCc2cccnc21 ZINC001575173872 952357798 /nfs/dbraw/zinc/35/77/98/952357798.db2.gz BWHPPOQBLJPQKC-AAEUAGOBSA-N -1 1 379.428 1.041 20 0 GDADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)CC[C@H]1CCCO1)C1CC1 ZINC001575173876 952358235 /nfs/dbraw/zinc/35/82/35/952358235.db2.gz BYYTVFZEJFVESM-ACJLOTCBSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)CC[C@H]1CCCO1)C1CC1 ZINC001575173876 952358243 /nfs/dbraw/zinc/35/82/43/952358243.db2.gz BYYTVFZEJFVESM-ACJLOTCBSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)c1ccccc1O)C1CC1 ZINC001575173945 952359780 /nfs/dbraw/zinc/35/97/80/952359780.db2.gz DCCPWZDYOPSTGA-SFHVURJKSA-N -1 1 380.412 1.373 20 0 GDADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)c1ccccc1O)C1CC1 ZINC001575173945 952359788 /nfs/dbraw/zinc/35/97/88/952359788.db2.gz DCCPWZDYOPSTGA-SFHVURJKSA-N -1 1 380.412 1.373 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@H]1COc2ccccc21 ZINC001575174948 952381417 /nfs/dbraw/zinc/38/14/17/952381417.db2.gz UQKXBFOMNZJIAO-YPMHNXCESA-N -1 1 380.412 1.092 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@H]1COc2ccccc21 ZINC001575174948 952381426 /nfs/dbraw/zinc/38/14/26/952381426.db2.gz UQKXBFOMNZJIAO-YPMHNXCESA-N -1 1 380.412 1.092 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H](F)Cc1ccccc1 ZINC001575174974 952381807 /nfs/dbraw/zinc/38/18/07/952381807.db2.gz VBTFYPYYEDKMIG-JSGCOSHPSA-N -1 1 384.419 1.496 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H](F)Cc1ccccc1 ZINC001575174974 952381813 /nfs/dbraw/zinc/38/18/13/952381813.db2.gz VBTFYPYYEDKMIG-JSGCOSHPSA-N -1 1 384.419 1.496 20 0 GDADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)c1ccoc1Cl)C1CC1 ZINC001575175804 952389302 /nfs/dbraw/zinc/38/93/02/952389302.db2.gz YQWIACSFBOAFOS-INIZCTEOSA-N -1 1 388.819 1.914 20 0 GDADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)c1ccoc1Cl)C1CC1 ZINC001575175804 952389306 /nfs/dbraw/zinc/38/93/06/952389306.db2.gz YQWIACSFBOAFOS-INIZCTEOSA-N -1 1 388.819 1.914 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCCOC1 ZINC001575177114 952397987 /nfs/dbraw/zinc/39/79/87/952397987.db2.gz GSHVVOWWLKHEAV-RKDXNWHRSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCCOC1 ZINC001575177114 952397992 /nfs/dbraw/zinc/39/79/92/952397992.db2.gz GSHVVOWWLKHEAV-RKDXNWHRSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cccnc1C(F)F ZINC001575177195 952399230 /nfs/dbraw/zinc/39/92/30/952399230.db2.gz HCQDRWHEIZKBHX-SECBINFHSA-N -1 1 389.370 1.562 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cccnc1C(F)F ZINC001575177195 952399238 /nfs/dbraw/zinc/39/92/38/952399238.db2.gz HCQDRWHEIZKBHX-SECBINFHSA-N -1 1 389.370 1.562 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001575177480 952401491 /nfs/dbraw/zinc/40/14/91/952401491.db2.gz HRRZHOMKOZSWLL-YUELXQCFSA-N -1 1 378.440 1.719 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001575177480 952401495 /nfs/dbraw/zinc/40/14/95/952401495.db2.gz HRRZHOMKOZSWLL-YUELXQCFSA-N -1 1 378.440 1.719 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001575178149 952405509 /nfs/dbraw/zinc/40/55/09/952405509.db2.gz KXWQSFGTEQAGKM-SNVBAGLBSA-N -1 1 384.448 1.250 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001575178149 952405513 /nfs/dbraw/zinc/40/55/13/952405513.db2.gz KXWQSFGTEQAGKM-SNVBAGLBSA-N -1 1 384.448 1.250 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)[C@H]1CC1(F)F ZINC001575178761 952407439 /nfs/dbraw/zinc/40/74/39/952407439.db2.gz MQEWZYXOTKWSFE-NTSWFWBYSA-N -1 1 377.808 1.891 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)[C@H]1CC1(F)F ZINC001575178761 952407442 /nfs/dbraw/zinc/40/74/42/952407442.db2.gz MQEWZYXOTKWSFE-NTSWFWBYSA-N -1 1 377.808 1.891 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)C1=CCOCC1 ZINC001575180893 952419488 /nfs/dbraw/zinc/41/94/88/952419488.db2.gz WWOYZOYOJWDXDH-MRVPVSSYSA-N -1 1 383.865 1.582 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)C1=CCOCC1 ZINC001575180893 952419493 /nfs/dbraw/zinc/41/94/93/952419493.db2.gz WWOYZOYOJWDXDH-MRVPVSSYSA-N -1 1 383.865 1.582 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC001575188889 952451254 /nfs/dbraw/zinc/45/12/54/952451254.db2.gz KSYBYUBEHRJLCZ-NWDGAFQWSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC001575188889 952451256 /nfs/dbraw/zinc/45/12/56/952451256.db2.gz KSYBYUBEHRJLCZ-NWDGAFQWSA-N -1 1 384.419 1.591 20 0 GDADMM CC(C)COC[C@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[n-]n1)c1ccco1 ZINC001571115303 952464850 /nfs/dbraw/zinc/46/48/50/952464850.db2.gz UKOKLSXFEYBUOS-JTQLQIEISA-N -1 1 375.389 1.085 20 0 GDADMM CC(C)[C@H](CNC(=O)[C@H](C)Cc1ccco1)Nc1nccnc1-c1nnn[n-]1 ZINC001575195509 952472294 /nfs/dbraw/zinc/47/22/94/952472294.db2.gz BLPBSFPYIFIGFK-OCCSQVGLSA-N -1 1 384.444 1.681 20 0 GDADMM CC(C)[C@H](CNC(=O)[C@H](C)Cc1ccco1)Nc1nccnc1-c1nn[n-]n1 ZINC001575195509 952472295 /nfs/dbraw/zinc/47/22/95/952472295.db2.gz BLPBSFPYIFIGFK-OCCSQVGLSA-N -1 1 384.444 1.681 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575195910 952473098 /nfs/dbraw/zinc/47/30/98/952473098.db2.gz DFHDJNCKOKEWAZ-YWPYICTPSA-N -1 1 382.428 1.387 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575195910 952473103 /nfs/dbraw/zinc/47/31/03/952473103.db2.gz DFHDJNCKOKEWAZ-YWPYICTPSA-N -1 1 382.428 1.387 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)C2CCC(OC[C@H]3CCCO3)CC2)n1 ZINC001571117139 952479469 /nfs/dbraw/zinc/47/94/69/952479469.db2.gz HCSUNPLUZNVEDC-WXRRBKDZSA-N -1 1 375.433 1.293 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)C2CCC(OC[C@H]3CCCO3)CC2)n1 ZINC001571117139 952479473 /nfs/dbraw/zinc/47/94/73/952479473.db2.gz HCSUNPLUZNVEDC-WXRRBKDZSA-N -1 1 375.433 1.293 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC1CC(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001575197201 952480991 /nfs/dbraw/zinc/48/09/91/952480991.db2.gz PZGQKOUSQCCQJO-HIFPTAJRSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC1CC(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001575197201 952480996 /nfs/dbraw/zinc/48/09/96/952480996.db2.gz PZGQKOUSQCCQJO-HIFPTAJRSA-N -1 1 382.428 1.435 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)[C@H]1Cc2ccccc21 ZINC001571120662 952507596 /nfs/dbraw/zinc/50/75/96/952507596.db2.gz PBGBGWZWXBQJGV-HIFRSBDPSA-N -1 1 376.424 1.082 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)[C@H]1Cc2ccccc21 ZINC001571120662 952507602 /nfs/dbraw/zinc/50/76/02/952507602.db2.gz PBGBGWZWXBQJGV-HIFRSBDPSA-N -1 1 376.424 1.082 20 0 GDADMM O=C([C@@H]1Cc2ccccc21)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571120743 952508057 /nfs/dbraw/zinc/50/80/57/952508057.db2.gz QOZUJJOIYIWTBT-DZGCQCFKSA-N -1 1 376.424 1.400 20 0 GDADMM O=C([C@@H]1Cc2ccccc21)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571120743 952508067 /nfs/dbraw/zinc/50/80/67/952508067.db2.gz QOZUJJOIYIWTBT-DZGCQCFKSA-N -1 1 376.424 1.400 20 0 GDADMM O=C(N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1coc(C(F)F)c1 ZINC001571121209 952515738 /nfs/dbraw/zinc/51/57/38/952515738.db2.gz YEMMMKPWGGGULO-SECBINFHSA-N -1 1 376.327 1.196 20 0 GDADMM O=C(N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1coc(C(F)F)c1 ZINC001571121209 952515743 /nfs/dbraw/zinc/51/57/43/952515743.db2.gz YEMMMKPWGGGULO-SECBINFHSA-N -1 1 376.327 1.196 20 0 GDADMM O=C(N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C1(c2ccccc2)CC1 ZINC001571121289 952517447 /nfs/dbraw/zinc/51/74/47/952517447.db2.gz XROQZTKSBRAOON-UHFFFAOYSA-N -1 1 376.424 1.037 20 0 GDADMM CO[C@@H](C)C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571123105 952527349 /nfs/dbraw/zinc/52/73/49/952527349.db2.gz OXDGAMBPDCTLKT-SWLSCSKDSA-N -1 1 376.436 1.464 20 0 GDADMM Cc1nscc1C(=O)N[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571123066 952528364 /nfs/dbraw/zinc/52/83/64/952528364.db2.gz NFTSUJUPRVBOGA-VIFPVBQESA-N -1 1 376.471 1.405 20 0 GDADMM C[C@@H](Cn1ccnc1)NC(=O)Nc1ccc(Br)c(-c2nnn[n-]2)n1 ZINC001575206658 952530415 /nfs/dbraw/zinc/53/04/15/952530415.db2.gz KVWVADQAMOXZPW-QMMMGPOBSA-N -1 1 392.221 1.431 20 0 GDADMM C[C@@H](Cn1ccnc1)NC(=O)Nc1ccc(Br)c(-c2nn[n-]n2)n1 ZINC001575206658 952530420 /nfs/dbraw/zinc/53/04/20/952530420.db2.gz KVWVADQAMOXZPW-QMMMGPOBSA-N -1 1 392.221 1.431 20 0 GDADMM Cc1nsc(N2CC[C@@H](N(C)C(=O)C3CCOCC3)C2)c1-c1nn[n-]n1 ZINC001571127333 952553755 /nfs/dbraw/zinc/55/37/55/952553755.db2.gz DLJUMWIHVQGSAI-GFCCVEGCSA-N -1 1 377.474 1.095 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCC[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001575221672 952570754 /nfs/dbraw/zinc/57/07/54/952570754.db2.gz AQXBGGCJZUCPHP-NSHDSACASA-N -1 1 392.414 1.743 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCC[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001575221672 952570758 /nfs/dbraw/zinc/57/07/58/952570758.db2.gz AQXBGGCJZUCPHP-NSHDSACASA-N -1 1 392.414 1.743 20 0 GDADMM CN(c1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)[C@H]2CCC2(F)F)C1 ZINC001571129337 952574182 /nfs/dbraw/zinc/57/41/82/952574182.db2.gz CNDVFNBGPKZZPG-GHMZBOCLSA-N -1 1 378.387 1.129 20 0 GDADMM O=C([C@@H]1CCC1(F)F)N1CC[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571129332 952574397 /nfs/dbraw/zinc/57/43/97/952574397.db2.gz CLDPAFABIAYJET-QWRGUYRKSA-N -1 1 378.387 1.353 20 0 GDADMM O=C([C@@H]1CCC1(F)F)N1CC[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571129332 952574401 /nfs/dbraw/zinc/57/44/01/952574401.db2.gz CLDPAFABIAYJET-QWRGUYRKSA-N -1 1 378.387 1.353 20 0 GDADMM O=C(C[C@@H]1CCCC1(F)F)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571130036 952578278 /nfs/dbraw/zinc/57/82/78/952578278.db2.gz NOHHZTVZDDUVFP-DCAQKATOSA-N -1 1 378.387 1.541 20 0 GDADMM O=C(C[C@@H]1CCCC1(F)F)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571130036 952578279 /nfs/dbraw/zinc/57/82/79/952578279.db2.gz NOHHZTVZDDUVFP-DCAQKATOSA-N -1 1 378.387 1.541 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC[C@@H]2[C@H](C1)C2(F)F ZINC001571130502 952580860 /nfs/dbraw/zinc/58/08/60/952580860.db2.gz RYJGMZWNXAQFLA-NEPJUHHUSA-N -1 1 378.383 1.630 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2C[C@H](NC(=O)C3CC(F)(F)C3)C2)n1 ZINC001571130953 952583237 /nfs/dbraw/zinc/58/32/37/952583237.db2.gz ZYQKJGLRSRUGCV-HOMQSWHASA-N -1 1 378.387 1.317 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2C[C@H](NC(=O)C3CC(F)(F)C3)C2)n1 ZINC001571130953 952583242 /nfs/dbraw/zinc/58/32/42/952583242.db2.gz ZYQKJGLRSRUGCV-HOMQSWHASA-N -1 1 378.387 1.317 20 0 GDADMM Cc1ccc(CC(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C[C@H]2C)cc1 ZINC001571134083 952584736 /nfs/dbraw/zinc/58/47/36/952584736.db2.gz DFIZPOAYJOIXAY-UKRRQHHQSA-N -1 1 378.440 1.609 20 0 GDADMM Cc1ccc(CC(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C[C@H]2C)cc1 ZINC001571134083 952584738 /nfs/dbraw/zinc/58/47/38/952584738.db2.gz DFIZPOAYJOIXAY-UKRRQHHQSA-N -1 1 378.440 1.609 20 0 GDADMM CCc1nc(N[C@H]2C[C@H](NC(=O)Cc3ccccc3)C2)cc(-c2nnn[n-]2)n1 ZINC001571134389 952589687 /nfs/dbraw/zinc/58/96/87/952589687.db2.gz FJEYIEJYJLSXOA-HDJSIYSDSA-N -1 1 378.440 1.521 20 0 GDADMM CCc1nc(N[C@H]2C[C@H](NC(=O)Cc3ccccc3)C2)cc(-c2nn[n-]n2)n1 ZINC001571134389 952589690 /nfs/dbraw/zinc/58/96/90/952589690.db2.gz FJEYIEJYJLSXOA-HDJSIYSDSA-N -1 1 378.440 1.521 20 0 GDADMM CCc1ccc(C(=O)NC2CCN(c3nccnc3-c3nnn[n-]3)CC2)cc1 ZINC001571134632 952593019 /nfs/dbraw/zinc/59/30/19/952593019.db2.gz IVKNSYPSIFCRSD-UHFFFAOYSA-N -1 1 378.440 1.618 20 0 GDADMM CCc1ccc(C(=O)NC2CCN(c3nccnc3-c3nn[n-]n3)CC2)cc1 ZINC001571134632 952593025 /nfs/dbraw/zinc/59/30/25/952593025.db2.gz IVKNSYPSIFCRSD-UHFFFAOYSA-N -1 1 378.440 1.618 20 0 GDADMM CCc1nc(N[C@H]2CCCN(C(=O)c3ccccc3)C2)cc(-c2nnn[n-]2)n1 ZINC001571134653 952593148 /nfs/dbraw/zinc/59/31/48/952593148.db2.gz JKNVEPCZECLPBE-AWEZNQCLSA-N -1 1 378.440 1.936 20 0 GDADMM CCc1nc(N[C@H]2CCCN(C(=O)c3ccccc3)C2)cc(-c2nn[n-]n2)n1 ZINC001571134653 952593151 /nfs/dbraw/zinc/59/31/51/952593151.db2.gz JKNVEPCZECLPBE-AWEZNQCLSA-N -1 1 378.440 1.936 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1 ZINC001571134754 952595311 /nfs/dbraw/zinc/59/53/11/952595311.db2.gz LAGZVZREYKRFJX-ZFWWWQNUSA-N -1 1 378.440 1.498 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1 ZINC001571134754 952595313 /nfs/dbraw/zinc/59/53/13/952595313.db2.gz LAGZVZREYKRFJX-ZFWWWQNUSA-N -1 1 378.440 1.498 20 0 GDADMM Cc1cc(C)cc(C(=O)N2C[C@H](C)[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571134852 952596567 /nfs/dbraw/zinc/59/65/67/952596567.db2.gz LPGAACWTLSTOTO-XJKSGUPXSA-N -1 1 378.440 1.846 20 0 GDADMM Cc1cc(C)cc(C(=O)N2C[C@H](C)[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571134852 952596569 /nfs/dbraw/zinc/59/65/69/952596569.db2.gz LPGAACWTLSTOTO-XJKSGUPXSA-N -1 1 378.440 1.846 20 0 GDADMM Cc1cccc(CCC(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571135051 952598243 /nfs/dbraw/zinc/59/82/43/952598243.db2.gz QXWUWTINFHMIQQ-HNNXBMFYSA-N -1 1 378.440 1.611 20 0 GDADMM Cc1cccc(CCC(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571135051 952598247 /nfs/dbraw/zinc/59/82/47/952598247.db2.gz QXWUWTINFHMIQQ-HNNXBMFYSA-N -1 1 378.440 1.611 20 0 GDADMM Cc1cccc(C)c1C(=O)N(C)C1CC(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571135239 952601689 /nfs/dbraw/zinc/60/16/89/952601689.db2.gz UITXNAOPOUSKKV-UHFFFAOYSA-N -1 1 378.440 1.989 20 0 GDADMM Cc1cccc(C)c1C(=O)N(C)C1CC(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571135239 952601692 /nfs/dbraw/zinc/60/16/92/952601692.db2.gz UITXNAOPOUSKKV-UHFFFAOYSA-N -1 1 378.440 1.989 20 0 GDADMM CCc1ccccc1CC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571135265 952601754 /nfs/dbraw/zinc/60/17/54/952601754.db2.gz RZGIZTZIUGTMLV-SHTZXODSSA-N -1 1 378.440 1.521 20 0 GDADMM CCc1ccccc1CC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571135265 952601756 /nfs/dbraw/zinc/60/17/56/952601756.db2.gz RZGIZTZIUGTMLV-SHTZXODSSA-N -1 1 378.440 1.521 20 0 GDADMM Cc1ccccc1C(=O)N[C@H]1CC[C@H](C)N(c2nccnc2-c2nnn[n-]2)C1 ZINC001571135435 952603799 /nfs/dbraw/zinc/60/37/99/952603799.db2.gz XRVLOPFROWWLRH-KBPBESRZSA-N -1 1 378.440 1.752 20 0 GDADMM Cc1ccccc1C(=O)N[C@H]1CC[C@H](C)N(c2nccnc2-c2nn[n-]n2)C1 ZINC001571135435 952603804 /nfs/dbraw/zinc/60/38/04/952603804.db2.gz XRVLOPFROWWLRH-KBPBESRZSA-N -1 1 378.440 1.752 20 0 GDADMM Cc1cccc(C(=O)N2CCC[C@H](N(C)c3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571135466 952604908 /nfs/dbraw/zinc/60/49/08/952604908.db2.gz YGPVCEWLYBVBSE-HNNXBMFYSA-N -1 1 378.440 1.706 20 0 GDADMM Cc1cccc(C(=O)N2CCC[C@H](N(C)c3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571135466 952604912 /nfs/dbraw/zinc/60/49/12/952604912.db2.gz YGPVCEWLYBVBSE-HNNXBMFYSA-N -1 1 378.440 1.706 20 0 GDADMM O=C(CCc1ccncc1)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571146837 952652999 /nfs/dbraw/zinc/65/29/99/952652999.db2.gz NPORPDHBLPLAFJ-CQSZACIVSA-N -1 1 379.428 1.087 20 0 GDADMM O=C(CCc1ccncc1)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571146837 952653003 /nfs/dbraw/zinc/65/30/03/952653003.db2.gz NPORPDHBLPLAFJ-CQSZACIVSA-N -1 1 379.428 1.087 20 0 GDADMM O=C(NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1)c1c[nH]cc1C1CC1 ZINC001571146904 952654007 /nfs/dbraw/zinc/65/40/07/952654007.db2.gz PMQMPIGXBBRYDE-UHFFFAOYSA-N -1 1 379.428 1.483 20 0 GDADMM O=C(NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1)c1c[nH]cc1C1CC1 ZINC001571146904 952654010 /nfs/dbraw/zinc/65/40/10/952654010.db2.gz PMQMPIGXBBRYDE-UHFFFAOYSA-N -1 1 379.428 1.483 20 0 GDADMM Cc1ncccc1CC(=O)N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571147068 952656547 /nfs/dbraw/zinc/65/65/47/952656547.db2.gz RZQOJHXNAXHCHF-UHFFFAOYSA-N -1 1 379.428 1.006 20 0 GDADMM Cc1ncccc1CC(=O)N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571147068 952656549 /nfs/dbraw/zinc/65/65/49/952656549.db2.gz RZQOJHXNAXHCHF-UHFFFAOYSA-N -1 1 379.428 1.006 20 0 GDADMM O=C(N[C@@H]1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1)c1cccnc1 ZINC001571147095 952656629 /nfs/dbraw/zinc/65/66/29/952656629.db2.gz SVEMVAUBEJYUGX-GXTWGEPZSA-N -1 1 379.428 1.452 20 0 GDADMM O=C(N[C@@H]1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001571147095 952656632 /nfs/dbraw/zinc/65/66/32/952656632.db2.gz SVEMVAUBEJYUGX-GXTWGEPZSA-N -1 1 379.428 1.452 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](NC(=O)c3ccccn3)CC2)n1 ZINC001571147404 952660841 /nfs/dbraw/zinc/66/08/41/952660841.db2.gz MDKKMYVGBUFFOH-CYBMUJFWSA-N -1 1 379.428 1.149 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H](NC(=O)c3ccccn3)CC2)n1 ZINC001571147404 952660844 /nfs/dbraw/zinc/66/08/44/952660844.db2.gz MDKKMYVGBUFFOH-CYBMUJFWSA-N -1 1 379.428 1.149 20 0 GDADMM CCc1cncc(C(=O)N2CC[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)c1 ZINC001571148100 952665799 /nfs/dbraw/zinc/66/57/99/952665799.db2.gz VBSAVTXLLMNKNQ-AWEZNQCLSA-N -1 1 379.428 1.249 20 0 GDADMM CCc1cncc(C(=O)N2CC[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)c1 ZINC001571148100 952665803 /nfs/dbraw/zinc/66/58/03/952665803.db2.gz VBSAVTXLLMNKNQ-AWEZNQCLSA-N -1 1 379.428 1.249 20 0 GDADMM O=C(c1ccccn1)N1CCCCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571150959 952671474 /nfs/dbraw/zinc/67/14/74/952671474.db2.gz ILJMPUCWSCOFOU-CYBMUJFWSA-N -1 1 379.428 1.549 20 0 GDADMM O=C(c1ccccn1)N1CCCCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571150959 952671484 /nfs/dbraw/zinc/67/14/84/952671484.db2.gz ILJMPUCWSCOFOU-CYBMUJFWSA-N -1 1 379.428 1.549 20 0 GDADMM COc1ncc(NC(=O)N[C@@H]2CCC[C@@H]([S@@](C)=O)C2)cc1-c1nn[n-]n1 ZINC001571151582 952675539 /nfs/dbraw/zinc/67/55/39/952675539.db2.gz RCBPSDYYZJJTQJ-KWMSQUPPSA-N -1 1 379.446 1.082 20 0 GDADMM Cc1c[nH]c(C(=O)N[C@H]2C[C@H](Nc3nc(Cl)c(-c4nnn[n-]4)s3)C2)n1 ZINC001571152909 952683985 /nfs/dbraw/zinc/68/39/85/952683985.db2.gz KUIYFTPAJWQSGK-LJGSYFOKSA-N -1 1 379.837 1.381 20 0 GDADMM Cc1c[nH]c(C(=O)N[C@H]2C[C@H](Nc3nc(Cl)c(-c4nn[n-]n4)s3)C2)n1 ZINC001571152909 952683991 /nfs/dbraw/zinc/68/39/91/952683991.db2.gz KUIYFTPAJWQSGK-LJGSYFOKSA-N -1 1 379.837 1.381 20 0 GDADMM Cn1ccc(C(=O)N[C@H]2C[C@@H](Nc3snc(Cl)c3-c3nnn[n-]3)C2)n1 ZINC001571153373 952686539 /nfs/dbraw/zinc/68/65/39/952686539.db2.gz QAJGODRSTLOVIV-KNVOCYPGSA-N -1 1 379.837 1.083 20 0 GDADMM Cn1ccc(C(=O)N[C@H]2C[C@@H](Nc3snc(Cl)c3-c3nn[n-]n3)C2)n1 ZINC001571153373 952686542 /nfs/dbraw/zinc/68/65/42/952686542.db2.gz QAJGODRSTLOVIV-KNVOCYPGSA-N -1 1 379.837 1.083 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)[C@H]2CC(c3ccccc3)=NO2)n1 ZINC001571155357 952695669 /nfs/dbraw/zinc/69/56/69/952695669.db2.gz PCPSKXKXPAOBET-CQSZACIVSA-N -1 1 380.412 1.950 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)[C@H]2CC(c3ccccc3)=NO2)n1 ZINC001571155357 952695670 /nfs/dbraw/zinc/69/56/70/952695670.db2.gz PCPSKXKXPAOBET-CQSZACIVSA-N -1 1 380.412 1.950 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)C(C)(F)F ZINC001571155418 952696585 /nfs/dbraw/zinc/69/65/85/952696585.db2.gz REKGYMOODROYFL-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)C(C)(F)F ZINC001571155418 952696590 /nfs/dbraw/zinc/69/65/90/952696590.db2.gz REKGYMOODROYFL-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)c1ccco1 ZINC001571155452 952697122 /nfs/dbraw/zinc/69/71/22/952697122.db2.gz SLGSFMSOUHEXLT-BYNQJWBRSA-N -1 1 380.412 1.279 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)c1ccco1 ZINC001571155452 952697124 /nfs/dbraw/zinc/69/71/24/952697124.db2.gz SLGSFMSOUHEXLT-BYNQJWBRSA-N -1 1 380.412 1.279 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001571155553 952698903 /nfs/dbraw/zinc/69/89/03/952698903.db2.gz WLQKQAYVZCQTDM-MNOVXSKESA-N -1 1 380.403 1.375 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CN(C(=O)CC(C)(F)F)C[C@H]2C)n1 ZINC001571155580 952699148 /nfs/dbraw/zinc/69/91/48/952699148.db2.gz XIGAYVVDJCINKS-MWLCHTKSSA-N -1 1 380.403 1.517 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CN(C(=O)CC(C)(F)F)C[C@H]2C)n1 ZINC001571155580 952699152 /nfs/dbraw/zinc/69/91/52/952699152.db2.gz XIGAYVVDJCINKS-MWLCHTKSSA-N -1 1 380.403 1.517 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@H](N(C)c3nccnc3-c3nnn[n-]3)C2)ccn1 ZINC001571156600 952702424 /nfs/dbraw/zinc/70/24/24/952702424.db2.gz DTGIMAQFFLTSHY-AWEZNQCLSA-N -1 1 379.428 1.101 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@H](N(C)c3nccnc3-c3nn[n-]n3)C2)ccn1 ZINC001571156600 952702428 /nfs/dbraw/zinc/70/24/28/952702428.db2.gz DTGIMAQFFLTSHY-AWEZNQCLSA-N -1 1 379.428 1.101 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)co1 ZINC001571157894 952707900 /nfs/dbraw/zinc/70/79/00/952707900.db2.gz BSKUBVIYWULVDD-SWLSCSKDSA-N -1 1 380.412 1.299 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)co1 ZINC001571157894 952707902 /nfs/dbraw/zinc/70/79/02/952707902.db2.gz BSKUBVIYWULVDD-SWLSCSKDSA-N -1 1 380.412 1.299 20 0 GDADMM Cc1ccc(C(=O)NC[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571158900 952714962 /nfs/dbraw/zinc/71/49/62/952714962.db2.gz TZWBMSHAFOTVOT-ZDUSSCGKSA-N -1 1 379.428 1.007 20 0 GDADMM Cc1ccc(N2C[C@@H](C(=O)Nc3c[nH]nc3-c3nn[n-]n3)CCC2=O)cc1C ZINC001571159311 952718964 /nfs/dbraw/zinc/71/89/64/952718964.db2.gz UGEHBYJVLAKBQW-LBPRGKRZSA-N -1 1 380.412 1.588 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CC24CC4)C3)n1 ZINC001571166811 952765555 /nfs/dbraw/zinc/76/55/55/952765555.db2.gz QFYDOKLYBXCQIX-NMKXLXIOSA-N -1 1 380.456 1.245 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CC24CC4)C3)n1 ZINC001571166811 952765559 /nfs/dbraw/zinc/76/55/59/952765559.db2.gz QFYDOKLYBXCQIX-NMKXLXIOSA-N -1 1 380.456 1.245 20 0 GDADMM C[C@]12CN(C(=O)[C@H]3CC34CCC4)C[C@H]1CN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001571170888 952789936 /nfs/dbraw/zinc/78/99/36/952789936.db2.gz YQNVYPWEMIHLGS-VFVRVIDISA-N -1 1 380.456 1.132 20 0 GDADMM O=C([C@H]1CCCC2(CC2)C1)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571172173 952802588 /nfs/dbraw/zinc/80/25/88/952802588.db2.gz OKYWHDROHWDQRC-IHRRRGAJSA-N -1 1 380.456 1.417 20 0 GDADMM O=C([C@H]1CCCC2(CC2)C1)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571172173 952802594 /nfs/dbraw/zinc/80/25/94/952802594.db2.gz OKYWHDROHWDQRC-IHRRRGAJSA-N -1 1 380.456 1.417 20 0 GDADMM Cc1cc(C(=O)N[C@H]2C[C@H](Nc3nccnc3-c3nnn[n-]3)C23CCC3)no1 ZINC001571175557 952822868 /nfs/dbraw/zinc/82/28/68/952822868.db2.gz UULDHNKGKMGKFW-RYUDHWBXSA-N -1 1 381.400 1.106 20 0 GDADMM Cc1cc(C(=O)N[C@H]2C[C@H](Nc3nccnc3-c3nn[n-]n3)C23CCC3)no1 ZINC001571175557 952822874 /nfs/dbraw/zinc/82/28/74/952822874.db2.gz UULDHNKGKMGKFW-RYUDHWBXSA-N -1 1 381.400 1.106 20 0 GDADMM O=C(c1coc(C2CCC2)n1)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571178749 952845870 /nfs/dbraw/zinc/84/58/70/952845870.db2.gz SKSGITQXDCCPLG-NSHDSACASA-N -1 1 381.400 1.239 20 0 GDADMM O=C(c1coc(C2CCC2)n1)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571178749 952845875 /nfs/dbraw/zinc/84/58/75/952845875.db2.gz SKSGITQXDCCPLG-NSHDSACASA-N -1 1 381.400 1.239 20 0 GDADMM C[C@@H](C(=O)N(C)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)n1cccc1 ZINC001571180506 952860748 /nfs/dbraw/zinc/86/07/48/952860748.db2.gz QKFBGUFTVNEAKU-ZDUSSCGKSA-N -1 1 381.444 1.147 20 0 GDADMM Cn1c(=O)[nH]c(NC[C@@H]2CCC(C)(C)c3ccccc32)c(-c2nn[n-]n2)c1=O ZINC001571181343 952862614 /nfs/dbraw/zinc/86/26/14/952862614.db2.gz UMHSUMZEUPHNMN-NSHDSACASA-N -1 1 381.440 1.933 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccc[nH]2)[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001571184000 952887246 /nfs/dbraw/zinc/88/72/46/952887246.db2.gz OJNZXMRMOWBWMI-JSGCOSHPSA-N -1 1 381.444 1.728 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccc[nH]2)[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001571184000 952887250 /nfs/dbraw/zinc/88/72/50/952887250.db2.gz OJNZXMRMOWBWMI-JSGCOSHPSA-N -1 1 381.444 1.728 20 0 GDADMM C[C@@H](NC(=O)c1ccn(C)c1)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571184241 952890637 /nfs/dbraw/zinc/89/06/37/952890637.db2.gz UOTCFBUAQLEIEN-OLZOCXBDSA-N -1 1 381.444 1.030 20 0 GDADMM CCc1[nH]ccc1C(=O)N[C@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571184280 952891053 /nfs/dbraw/zinc/89/10/53/952891053.db2.gz VKPKFNYCSMMWTO-RYUDHWBXSA-N -1 1 381.444 1.700 20 0 GDADMM CCc1[nH]ccc1C(=O)N[C@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571184280 952891056 /nfs/dbraw/zinc/89/10/56/952891056.db2.gz VKPKFNYCSMMWTO-RYUDHWBXSA-N -1 1 381.444 1.700 20 0 GDADMM CCc1[nH]ccc1C(=O)N1C[C@@H](C)[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571184387 952891444 /nfs/dbraw/zinc/89/14/44/952891444.db2.gz YDMUCYAVINUCCH-NEPJUHHUSA-N -1 1 381.444 1.367 20 0 GDADMM CCc1[nH]ccc1C(=O)N1C[C@@H](C)[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571184387 952891452 /nfs/dbraw/zinc/89/14/52/952891452.db2.gz YDMUCYAVINUCCH-NEPJUHHUSA-N -1 1 381.444 1.367 20 0 GDADMM CCc1[nH]ccc1C(=O)N1C[C@H](C)[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571184388 952891479 /nfs/dbraw/zinc/89/14/79/952891479.db2.gz YDMUCYAVINUCCH-NWDGAFQWSA-N -1 1 381.444 1.367 20 0 GDADMM CCc1[nH]ccc1C(=O)N1C[C@H](C)[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571184388 952891483 /nfs/dbraw/zinc/89/14/83/952891483.db2.gz YDMUCYAVINUCCH-NWDGAFQWSA-N -1 1 381.444 1.367 20 0 GDADMM CCc1nc(NC[C@H]2CCC[C@@H]2NC(=O)c2ccc[nH]2)cc(-c2nnn[n-]2)n1 ZINC001571184466 952893958 /nfs/dbraw/zinc/89/39/58/952893958.db2.gz ZZLIGZVKGVONGO-NEPJUHHUSA-N -1 1 381.444 1.558 20 0 GDADMM CCc1nc(NC[C@H]2CCC[C@@H]2NC(=O)c2ccc[nH]2)cc(-c2nn[n-]n2)n1 ZINC001571184466 952893965 /nfs/dbraw/zinc/89/39/65/952893965.db2.gz ZZLIGZVKGVONGO-NEPJUHHUSA-N -1 1 381.444 1.558 20 0 GDADMM Cc1c(C(=O)N2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)ccn1C(C)C ZINC001571185497 952901925 /nfs/dbraw/zinc/90/19/25/952901925.db2.gz MKQBOBOJTXJSJC-UHFFFAOYSA-N -1 1 381.444 1.310 20 0 GDADMM Cc1c(C(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)ccn1C(C)C ZINC001571185448 952902237 /nfs/dbraw/zinc/90/22/37/952902237.db2.gz LQAPXNSZQXJLKQ-BETUJISGSA-N -1 1 381.444 1.142 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](NC(=O)c3cccn3C)C[C@H]2C)n1 ZINC001571185692 952903100 /nfs/dbraw/zinc/90/31/00/952903100.db2.gz OKILHWKBZZJOLI-CHWSQXEVSA-N -1 1 381.444 1.091 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)c3cccn3C)C[C@H]2C)n1 ZINC001571185692 952903101 /nfs/dbraw/zinc/90/31/01/952903101.db2.gz OKILHWKBZZJOLI-CHWSQXEVSA-N -1 1 381.444 1.091 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CCC[C@@H]([C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571186061 952904570 /nfs/dbraw/zinc/90/45/70/952904570.db2.gz RAKZVGQUUSCSBM-QWHCGFSZSA-N -1 1 381.444 1.646 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CCC[C@@H]([C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571186061 952904572 /nfs/dbraw/zinc/90/45/72/952904572.db2.gz RAKZVGQUUSCSBM-QWHCGFSZSA-N -1 1 381.444 1.646 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](NC(=O)Cc3ccc[nH]3)CC[C@@H]2C)n1 ZINC001571186146 952905671 /nfs/dbraw/zinc/90/56/71/952905671.db2.gz UHMAJNDOUKXQFV-GXTWGEPZSA-N -1 1 381.444 1.009 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](NC(=O)Cc3ccc[nH]3)CC[C@@H]2C)n1 ZINC001571186146 952905678 /nfs/dbraw/zinc/90/56/78/952905678.db2.gz UHMAJNDOUKXQFV-GXTWGEPZSA-N -1 1 381.444 1.009 20 0 GDADMM CCn1ccc(C(=O)N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1C ZINC001571186342 952906612 /nfs/dbraw/zinc/90/66/12/952906612.db2.gz WYQHCFOZHVBXKQ-CYBMUJFWSA-N -1 1 381.444 1.503 20 0 GDADMM CCn1ccc(C(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1C ZINC001571186342 952906615 /nfs/dbraw/zinc/90/66/15/952906615.db2.gz WYQHCFOZHVBXKQ-CYBMUJFWSA-N -1 1 381.444 1.503 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCC[C@@H](NC(=O)c3ccn(C)c3)C2)n1 ZINC001571186324 952906751 /nfs/dbraw/zinc/90/67/51/952906751.db2.gz WNOICLFVPAVFOJ-KGLIPLIRSA-N -1 1 381.444 1.457 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCC[C@@H](NC(=O)c3ccn(C)c3)C2)n1 ZINC001571186324 952906754 /nfs/dbraw/zinc/90/67/54/952906754.db2.gz WNOICLFVPAVFOJ-KGLIPLIRSA-N -1 1 381.444 1.457 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)[C@H]2C)n1C ZINC001571189564 952930498 /nfs/dbraw/zinc/93/04/98/952930498.db2.gz XLWOBSLLVWCWEY-STQMWFEESA-N -1 1 381.444 1.091 20 0 GDADMM O=C(N1CC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1)[C@]12C[C@H]1COC2 ZINC001571190044 952938326 /nfs/dbraw/zinc/93/83/26/952938326.db2.gz DBAAPZFUGWCABN-FZVNPBSJSA-N -1 1 381.849 1.026 20 0 GDADMM O=C(N1CC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1)[C@]12C[C@H]1COC2 ZINC001571190044 952938329 /nfs/dbraw/zinc/93/83/29/952938329.db2.gz DBAAPZFUGWCABN-FZVNPBSJSA-N -1 1 381.849 1.026 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H](N(C)c3ccnc(-c4nn[n-]n4)n3)C2)cc1F ZINC001571195752 952979328 /nfs/dbraw/zinc/97/93/28/952979328.db2.gz FRPFESBBGJZKFN-CYBMUJFWSA-N -1 1 382.403 1.455 20 0 GDADMM Cc1cc(F)ccc1C(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571196395 952981830 /nfs/dbraw/zinc/98/18/30/952981830.db2.gz KFEUAQMCTNZFDE-UHFFFAOYSA-N -1 1 382.403 1.457 20 0 GDADMM Cc1ccc(C(=O)NC[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)c(F)c1 ZINC001571196504 952983318 /nfs/dbraw/zinc/98/33/18/952983318.db2.gz LLIJKKXIGSSDPD-LBPRGKRZSA-N -1 1 382.403 1.361 20 0 GDADMM Cc1ccc(C(=O)NC[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)c(F)c1 ZINC001571196504 952983321 /nfs/dbraw/zinc/98/33/21/952983321.db2.gz LLIJKKXIGSSDPD-LBPRGKRZSA-N -1 1 382.403 1.361 20 0 GDADMM CCc1nc(N[C@H]2CCN(C(=O)c3cccc(F)c3)C2)cc(-c2nnn[n-]2)n1 ZINC001571196818 952985072 /nfs/dbraw/zinc/98/50/72/952985072.db2.gz OMFCVDOGKDSJFX-ZDUSSCGKSA-N -1 1 382.403 1.685 20 0 GDADMM CCc1nc(N[C@H]2CCN(C(=O)c3cccc(F)c3)C2)cc(-c2nn[n-]n2)n1 ZINC001571196818 952985077 /nfs/dbraw/zinc/98/50/77/952985077.db2.gz OMFCVDOGKDSJFX-ZDUSSCGKSA-N -1 1 382.403 1.685 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)cc1F ZINC001571197287 952988016 /nfs/dbraw/zinc/98/80/16/952988016.db2.gz VLUHQJVXCRMSGA-GFCCVEGCSA-N -1 1 382.403 1.678 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)cc1F ZINC001571197287 952988021 /nfs/dbraw/zinc/98/80/21/952988021.db2.gz VLUHQJVXCRMSGA-GFCCVEGCSA-N -1 1 382.403 1.678 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cccc(F)c1 ZINC001571197362 952988520 /nfs/dbraw/zinc/98/85/20/952988520.db2.gz XWTATZMRKIBUOV-BXUZGUMPSA-N -1 1 382.403 1.612 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cccc(F)c1 ZINC001571197362 952988522 /nfs/dbraw/zinc/98/85/22/952988522.db2.gz XWTATZMRKIBUOV-BXUZGUMPSA-N -1 1 382.403 1.612 20 0 GDADMM Cc1ccc(F)cc1C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571197289 952988664 /nfs/dbraw/zinc/98/86/64/952988664.db2.gz VMEGHSVEZKQKBD-CYBMUJFWSA-N -1 1 382.403 1.243 20 0 GDADMM Cc1cccc(F)c1C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571197407 952989705 /nfs/dbraw/zinc/98/97/05/952989705.db2.gz ZJJRUMFPLFEROW-GFCCVEGCSA-N -1 1 382.403 1.361 20 0 GDADMM CCc1occc1C(=O)N[C@@H]1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571198869 952994213 /nfs/dbraw/zinc/99/42/13/952994213.db2.gz HOMVRAQGCIVBBI-VXGBXAGGSA-N -1 1 382.428 1.823 20 0 GDADMM CCc1occc1C(=O)N[C@@H]1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571198869 952994216 /nfs/dbraw/zinc/99/42/16/952994216.db2.gz HOMVRAQGCIVBBI-VXGBXAGGSA-N -1 1 382.428 1.823 20 0 GDADMM CN(C[C@H]1CCN(C(=O)CCc2ccco2)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571199176 952996737 /nfs/dbraw/zinc/99/67/37/952996737.db2.gz MTQHVQLEPDJIFM-CYBMUJFWSA-N -1 1 382.428 1.167 20 0 GDADMM CN(C[C@H]1CCN(C(=O)CCc2ccoc2)C1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571199667 953002630 /nfs/dbraw/zinc/00/26/30/953002630.db2.gz YDVXNGSFNSPRKT-CQSZACIVSA-N -1 1 382.428 1.167 20 0 GDADMM CN(C[C@H]1CCN(C(=O)CCc2ccoc2)C1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571199667 953002635 /nfs/dbraw/zinc/00/26/35/953002635.db2.gz YDVXNGSFNSPRKT-CQSZACIVSA-N -1 1 382.428 1.167 20 0 GDADMM CC1(C)CC[C@H](CNC(=O)c2ccco2)N(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571199714 953003944 /nfs/dbraw/zinc/00/39/44/953003944.db2.gz AACBNKGHIROMNI-GFCCVEGCSA-N -1 1 382.428 1.675 20 0 GDADMM CC1(C)CC[C@H](CNC(=O)c2ccco2)N(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571199714 953003948 /nfs/dbraw/zinc/00/39/48/953003948.db2.gz AACBNKGHIROMNI-GFCCVEGCSA-N -1 1 382.428 1.675 20 0 GDADMM C[C@H](Nc1nccnc1-c1nnn[n-]1)[C@@H]1CCCCN1C(=O)Cc1ccoc1 ZINC001571200303 953007700 /nfs/dbraw/zinc/00/77/00/953007700.db2.gz HIPMGSMPQPLIFS-JSGCOSHPSA-N -1 1 382.428 1.674 20 0 GDADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)[C@@H]1CCCCN1C(=O)Cc1ccoc1 ZINC001571200303 953007704 /nfs/dbraw/zinc/00/77/04/953007704.db2.gz HIPMGSMPQPLIFS-JSGCOSHPSA-N -1 1 382.428 1.674 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)CC2)oc1C ZINC001571200191 953008098 /nfs/dbraw/zinc/00/80/98/953008098.db2.gz BQDJOSROIRIFJL-ZDUSSCGKSA-N -1 1 382.428 1.655 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)CC2)oc1C ZINC001571200191 953008101 /nfs/dbraw/zinc/00/81/01/953008101.db2.gz BQDJOSROIRIFJL-ZDUSSCGKSA-N -1 1 382.428 1.655 20 0 GDADMM O=C(NCC1CCN(c2nccnc2-c2nnn[n-]2)CC1)c1ccc(F)cc1 ZINC001571200818 953012010 /nfs/dbraw/zinc/01/20/10/953012010.db2.gz MBHKYFVKDKZXQY-UHFFFAOYSA-N -1 1 382.403 1.442 20 0 GDADMM O=C(NCC1CCN(c2nccnc2-c2nn[n-]n2)CC1)c1ccc(F)cc1 ZINC001571200818 953012020 /nfs/dbraw/zinc/01/20/20/953012020.db2.gz MBHKYFVKDKZXQY-UHFFFAOYSA-N -1 1 382.403 1.442 20 0 GDADMM Cc1coc(C)c1C(=O)N[C@H]1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571200750 953012320 /nfs/dbraw/zinc/01/23/20/953012320.db2.gz FRHCBXQOKOHZQK-OLZOCXBDSA-N -1 1 382.428 1.877 20 0 GDADMM Cc1coc(C)c1C(=O)N[C@H]1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571200750 953012323 /nfs/dbraw/zinc/01/23/23/953012323.db2.gz FRHCBXQOKOHZQK-OLZOCXBDSA-N -1 1 382.428 1.877 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1ccc(CF)cc1 ZINC001571201590 953018464 /nfs/dbraw/zinc/01/84/64/953018464.db2.gz RZMQJSCXJNMPHH-MQMHXKEQSA-N -1 1 382.403 1.169 20 0 GDADMM Cc1coc(C)c1C(=O)N[C@H]1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571201714 953019324 /nfs/dbraw/zinc/01/93/24/953019324.db2.gz NLRNIZZUYCXSPB-ZDUSSCGKSA-N -1 1 382.428 1.574 20 0 GDADMM Cc1coc(C)c1C(=O)N[C@H]1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571201714 953019329 /nfs/dbraw/zinc/01/93/29/953019329.db2.gz NLRNIZZUYCXSPB-ZDUSSCGKSA-N -1 1 382.428 1.574 20 0 GDADMM Cc1ccc([C@H](C)C(=O)N2CC[C@@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)o1 ZINC001571201769 953019647 /nfs/dbraw/zinc/01/96/47/953019647.db2.gz NWVAPBJWTUHJMS-QWHCGFSZSA-N -1 1 382.428 1.683 20 0 GDADMM Cc1ccc([C@H](C)C(=O)N2CC[C@@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)o1 ZINC001571201769 953019650 /nfs/dbraw/zinc/01/96/50/953019650.db2.gz NWVAPBJWTUHJMS-QWHCGFSZSA-N -1 1 382.428 1.683 20 0 GDADMM Cc1cc(C)c(C(=O)NC2(C)CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)o1 ZINC001571201756 953019819 /nfs/dbraw/zinc/01/98/19/953019819.db2.gz NUBSBAFPVGKDST-UHFFFAOYSA-N -1 1 382.428 1.655 20 0 GDADMM Cc1cc(C)c(C(=O)NC2(C)CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)o1 ZINC001571201756 953019822 /nfs/dbraw/zinc/01/98/22/953019822.db2.gz NUBSBAFPVGKDST-UHFFFAOYSA-N -1 1 382.428 1.655 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@@H]2CC[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)o1 ZINC001571201720 953019829 /nfs/dbraw/zinc/01/98/29/953019829.db2.gz NMSUDIJMHJSJKB-CHWSQXEVSA-N -1 1 382.428 1.877 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@@H]2CC[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)o1 ZINC001571201720 953019831 /nfs/dbraw/zinc/01/98/31/953019831.db2.gz NMSUDIJMHJSJKB-CHWSQXEVSA-N -1 1 382.428 1.877 20 0 GDADMM Cc1ccoc1C(=O)NC[C@H]1CC[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571201911 953021132 /nfs/dbraw/zinc/02/11/32/953021132.db2.gz PDBLHEHMQHRECM-QWHCGFSZSA-N -1 1 382.428 1.877 20 0 GDADMM Cc1ccoc1C(=O)NC[C@H]1CC[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571201911 953021137 /nfs/dbraw/zinc/02/11/37/953021137.db2.gz PDBLHEHMQHRECM-QWHCGFSZSA-N -1 1 382.428 1.877 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CC[C@H](NC(=O)c3ccoc3)CC2)n1 ZINC001571201854 953021157 /nfs/dbraw/zinc/02/11/57/953021157.db2.gz OPFIHMPCZFGEJW-MQMHXKEQSA-N -1 1 382.428 1.959 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CC[C@H](NC(=O)c3ccoc3)CC2)n1 ZINC001571201854 953021162 /nfs/dbraw/zinc/02/11/62/953021162.db2.gz OPFIHMPCZFGEJW-MQMHXKEQSA-N -1 1 382.428 1.959 20 0 GDADMM Cc1cc(C)c(C(=O)NC[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)o1 ZINC001571202242 953024244 /nfs/dbraw/zinc/02/42/44/953024244.db2.gz RZVURPZBQURXGI-ZDUSSCGKSA-N -1 1 382.428 1.513 20 0 GDADMM Cc1cc(C)c(C(=O)NC[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)o1 ZINC001571202242 953024248 /nfs/dbraw/zinc/02/42/48/953024248.db2.gz RZVURPZBQURXGI-ZDUSSCGKSA-N -1 1 382.428 1.513 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)[C@H](C)C2)co1 ZINC001571202324 953024694 /nfs/dbraw/zinc/02/46/94/953024694.db2.gz TUSBGTPPDCBQOJ-DGCLKSJQSA-N -1 1 382.428 1.190 20 0 GDADMM CC(C)(C)c1cc(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)[nH]n1 ZINC001571205644 953040489 /nfs/dbraw/zinc/04/04/89/953040489.db2.gz KAHXUADWRBDQLD-MGCOHNPYSA-N -1 1 382.432 1.050 20 0 GDADMM CC(C)(C)c1cc(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)[nH]n1 ZINC001571205644 953040493 /nfs/dbraw/zinc/04/04/93/953040493.db2.gz KAHXUADWRBDQLD-MGCOHNPYSA-N -1 1 382.432 1.050 20 0 GDADMM CC(C)n1cc(C(=O)N2CC[C@H](CNc3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001571206462 953050907 /nfs/dbraw/zinc/05/09/07/953050907.db2.gz PWFAZNNSBLIBHP-GFCCVEGCSA-N -1 1 382.432 1.008 20 0 GDADMM CC(C)n1cc(C(=O)N2CC[C@H](CNc3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001571206462 953050910 /nfs/dbraw/zinc/05/09/10/953050910.db2.gz PWFAZNNSBLIBHP-GFCCVEGCSA-N -1 1 382.432 1.008 20 0 GDADMM O=C(c1cccs1)N1CC[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001571209644 953066313 /nfs/dbraw/zinc/06/63/13/953066313.db2.gz AGQYTZXYELLAAM-KRWDZBQOSA-N -1 1 382.453 1.461 20 0 GDADMM O=C(c1cccs1)N1CC[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001571209644 953066315 /nfs/dbraw/zinc/06/63/15/953066315.db2.gz AGQYTZXYELLAAM-KRWDZBQOSA-N -1 1 382.453 1.461 20 0 GDADMM Cc1cscc1C(=O)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001571209854 953067644 /nfs/dbraw/zinc/06/76/44/953067644.db2.gz GVOXQLZLPLOZSI-SMDDNHRTSA-N -1 1 382.453 1.378 20 0 GDADMM Cc1cscc1C(=O)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001571209854 953067649 /nfs/dbraw/zinc/06/76/49/953067649.db2.gz GVOXQLZLPLOZSI-SMDDNHRTSA-N -1 1 382.453 1.378 20 0 GDADMM O=C(c1cc2c(s1)CCC2)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571210192 953070546 /nfs/dbraw/zinc/07/05/46/953070546.db2.gz NRZFCYJDMCYRGF-UHFFFAOYSA-N -1 1 382.453 1.169 20 0 GDADMM C[C@@H](NC(=O)C1CC2(CC2)C1)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571211523 953077385 /nfs/dbraw/zinc/07/73/85/953077385.db2.gz AMGYPOPIIPKAOH-CHWSQXEVSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1CCN(C(=O)C2(C3CC3)CC2)CC1 ZINC001571211545 953077996 /nfs/dbraw/zinc/07/79/96/953077996.db2.gz BBWSEOCXDTVSKV-LBPRGKRZSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1CCN(C(=O)C2(C3CC3)CC2)CC1 ZINC001571211545 953078000 /nfs/dbraw/zinc/07/80/00/953078000.db2.gz BBWSEOCXDTVSKV-LBPRGKRZSA-N -1 1 382.472 1.886 20 0 GDADMM CN(CC1CCN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)CC1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571211775 953080254 /nfs/dbraw/zinc/08/02/54/953080254.db2.gz GGJMGXIONQORGE-HALDLXJZSA-N -1 1 382.472 1.378 20 0 GDADMM CN(CC1CCN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)CC1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571211775 953080256 /nfs/dbraw/zinc/08/02/56/953080256.db2.gz GGJMGXIONQORGE-HALDLXJZSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H]1CCCN(C(=O)C2CC3(CC3)C2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571212237 953085689 /nfs/dbraw/zinc/08/56/89/953085689.db2.gz JWAVWNKKUYCLMJ-GXTWGEPZSA-N -1 1 382.472 1.308 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@@H]2CCCCN2C(=O)C2=CCCC2)n1 ZINC001571212292 953087345 /nfs/dbraw/zinc/08/73/45/953087345.db2.gz KXBBENHRDISXLZ-HNNXBMFYSA-N -1 1 382.472 1.893 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@@H]2CCCCN2C(=O)C2=CCCC2)n1 ZINC001571212292 953087350 /nfs/dbraw/zinc/08/73/50/953087350.db2.gz KXBBENHRDISXLZ-HNNXBMFYSA-N -1 1 382.472 1.893 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](NC(=O)C3(C4CC4)CC3)C[C@@H]2C)n1 ZINC001571212910 953091810 /nfs/dbraw/zinc/09/18/10/953091810.db2.gz OBAYRMQBFCXNCB-GXTWGEPZSA-N -1 1 382.472 1.629 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)C3(C4CC4)CC3)C[C@@H]2C)n1 ZINC001571212910 953091812 /nfs/dbraw/zinc/09/18/12/953091812.db2.gz OBAYRMQBFCXNCB-GXTWGEPZSA-N -1 1 382.472 1.629 20 0 GDADMM CN(C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571213228 953093328 /nfs/dbraw/zinc/09/33/28/953093328.db2.gz PWBPLHWHNCWWKP-ZQDZILKHSA-N -1 1 382.472 1.520 20 0 GDADMM CN(C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571213228 953093333 /nfs/dbraw/zinc/09/33/33/953093333.db2.gz PWBPLHWHNCWWKP-ZQDZILKHSA-N -1 1 382.472 1.520 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC2CC(N(C)C(=O)[C@@]34C[C@@H]3CCCC4)C2)n1 ZINC001571213295 953094507 /nfs/dbraw/zinc/09/45/07/953094507.db2.gz RAUYBIYOWOIJHL-WGFJEIQISA-N -1 1 382.472 1.947 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC2CC(N(C)C(=O)[C@@]34C[C@@H]3CCCC4)C2)n1 ZINC001571213295 953094509 /nfs/dbraw/zinc/09/45/09/953094509.db2.gz RAUYBIYOWOIJHL-WGFJEIQISA-N -1 1 382.472 1.947 20 0 GDADMM CC[C@@H]1CN(C(=O)C2(C3CC3)CC2)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571213679 953096302 /nfs/dbraw/zinc/09/63/02/953096302.db2.gz TXDIXKFVRDACKZ-TZMCWYRMSA-N -1 1 382.472 1.308 20 0 GDADMM CC[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001571213540 953096602 /nfs/dbraw/zinc/09/66/02/953096602.db2.gz RPPTXTPMYAGHPT-RBUCKAEESA-N -1 1 382.472 1.424 20 0 GDADMM CC[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571213540 953096605 /nfs/dbraw/zinc/09/66/05/953096605.db2.gz RPPTXTPMYAGHPT-RBUCKAEESA-N -1 1 382.472 1.424 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1)c1nccs1 ZINC001571217976 953111981 /nfs/dbraw/zinc/11/19/81/953111981.db2.gz JTZLEKXRJMBJEC-OLQVQODUSA-N -1 1 382.862 1.806 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1)c1nccs1 ZINC001571217976 953111983 /nfs/dbraw/zinc/11/19/83/953111983.db2.gz JTZLEKXRJMBJEC-OLQVQODUSA-N -1 1 382.862 1.806 20 0 GDADMM O=C([C@H]1CC12CCCC2)N1CC[C@@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001571218412 953115151 /nfs/dbraw/zinc/11/51/51/953115151.db2.gz MUJARAGZKXCOPG-ZIAGYGMSSA-N -1 1 382.472 1.888 20 0 GDADMM O=C([C@H]1CC12CCCC2)N1CC[C@@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001571218412 953115154 /nfs/dbraw/zinc/11/51/54/953115154.db2.gz MUJARAGZKXCOPG-ZIAGYGMSSA-N -1 1 382.472 1.888 20 0 GDADMM O=C([C@@H]1CCCC2(CC2)C1)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571219097 953122572 /nfs/dbraw/zinc/12/25/72/953122572.db2.gz VCOLNBRUSHIZMP-KGLIPLIRSA-N -1 1 382.472 1.452 20 0 GDADMM O=C(N[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1)c1cc(F)c[nH]1 ZINC001571219133 953123530 /nfs/dbraw/zinc/12/35/30/953123530.db2.gz WBVFTEQJRLNDDP-ZETCQYMHSA-N -1 1 382.812 1.453 20 0 GDADMM O=C(N[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1)c1cc(F)c[nH]1 ZINC001571219133 953123531 /nfs/dbraw/zinc/12/35/31/953123531.db2.gz WBVFTEQJRLNDDP-ZETCQYMHSA-N -1 1 382.812 1.453 20 0 GDADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)c1cc(F)c[nH]1 ZINC001571219232 953124009 /nfs/dbraw/zinc/12/40/09/953124009.db2.gz MXINKPZFQCDBKD-YOGCLGLASA-N -1 1 383.391 1.054 20 0 GDADMM O=C(NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)c1cc(F)c[nH]1 ZINC001571219232 953124010 /nfs/dbraw/zinc/12/40/10/953124010.db2.gz MXINKPZFQCDBKD-YOGCLGLASA-N -1 1 383.391 1.054 20 0 GDADMM O=C(NC1CCC(Nc2nccnc2-c2nnn[n-]2)CC1)C(C1CC1)C1CC1 ZINC001571219352 953125254 /nfs/dbraw/zinc/12/52/54/953125254.db2.gz XTIGVQZQLVHFSP-UHFFFAOYSA-N -1 1 382.472 1.932 20 0 GDADMM O=C(NC1CCC(Nc2nccnc2-c2nn[n-]n2)CC1)C(C1CC1)C1CC1 ZINC001571219352 953125259 /nfs/dbraw/zinc/12/52/59/953125259.db2.gz XTIGVQZQLVHFSP-UHFFFAOYSA-N -1 1 382.472 1.932 20 0 GDADMM CCc1oncc1C(=O)N1CC[C@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571222460 953135082 /nfs/dbraw/zinc/13/50/82/953135082.db2.gz GEWWGLWWXBJNEG-MNOVXSKESA-N -1 1 383.416 1.170 20 0 GDADMM CCc1oncc1C(=O)N1CC[C@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571222460 953135085 /nfs/dbraw/zinc/13/50/85/953135085.db2.gz GEWWGLWWXBJNEG-MNOVXSKESA-N -1 1 383.416 1.170 20 0 GDADMM CC(C)c1cc(C(=O)N2CCC(Nc3cncc(-c4nnn[n-]4)n3)CC2)on1 ZINC001571222812 953138927 /nfs/dbraw/zinc/13/89/27/953138927.db2.gz LMSCRFNODGSZRC-UHFFFAOYSA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1cc(C(=O)N2CCC(Nc3cncc(-c4nn[n-]n4)n3)CC2)on1 ZINC001571222812 953138935 /nfs/dbraw/zinc/13/89/35/953138935.db2.gz LMSCRFNODGSZRC-UHFFFAOYSA-N -1 1 383.416 1.485 20 0 GDADMM Cc1nc(C)c(C(=O)N2CCC(CNc3cnc(-c4nnn[n-]4)cn3)CC2)o1 ZINC001571225644 953153822 /nfs/dbraw/zinc/15/38/22/953153822.db2.gz MDPWZFXXPSYINY-UHFFFAOYSA-N -1 1 383.416 1.226 20 0 GDADMM Cc1nc(C)c(C(=O)N2CCC(CNc3cnc(-c4nn[n-]n4)cn3)CC2)o1 ZINC001571225644 953153823 /nfs/dbraw/zinc/15/38/23/953153823.db2.gz MDPWZFXXPSYINY-UHFFFAOYSA-N -1 1 383.416 1.226 20 0 GDADMM Cc1nc(C(=O)N2C[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)[C@@H](C)C2)c(C)o1 ZINC001571226460 953155989 /nfs/dbraw/zinc/15/59/89/953155989.db2.gz RDNNJVGVVKFJNF-SDBXPKJASA-N -1 1 383.416 1.143 20 0 GDADMM Cc1nc(C(=O)N2C[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)[C@@H](C)C2)c(C)o1 ZINC001571226460 953155991 /nfs/dbraw/zinc/15/59/91/953155991.db2.gz RDNNJVGVVKFJNF-SDBXPKJASA-N -1 1 383.416 1.143 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1scnc1C1CC1 ZINC001571231114 953183477 /nfs/dbraw/zinc/18/34/77/953183477.db2.gz STDNUROGUBDESQ-AOOOYVTPSA-N -1 1 383.441 1.364 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1scnc1C1CC1 ZINC001571231114 953183481 /nfs/dbraw/zinc/18/34/81/953183481.db2.gz STDNUROGUBDESQ-AOOOYVTPSA-N -1 1 383.441 1.364 20 0 GDADMM COCC(=O)N1CC[C@H]2[C@@H](CCN2c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571235040 953207561 /nfs/dbraw/zinc/20/75/61/953207561.db2.gz QUZWISPSHMNWNF-IUCAKERBSA-N -1 1 383.865 1.050 20 0 GDADMM COCC(=O)N1CC[C@H]2[C@@H](CCN2c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571235040 953207563 /nfs/dbraw/zinc/20/75/63/953207563.db2.gz QUZWISPSHMNWNF-IUCAKERBSA-N -1 1 383.865 1.050 20 0 GDADMM COc1ccc(C(=O)N2CCC[C@H](CNc3nccnc3-c3nnn[n-]3)C2)o1 ZINC001571238025 953224476 /nfs/dbraw/zinc/22/44/76/953224476.db2.gz RNKAPVDBCIVJHR-LLVKDONJSA-N -1 1 384.400 1.223 20 0 GDADMM COc1ccc(C(=O)N2CCC[C@H](CNc3nccnc3-c3nn[n-]n3)C2)o1 ZINC001571238025 953224481 /nfs/dbraw/zinc/22/44/81/953224481.db2.gz RNKAPVDBCIVJHR-LLVKDONJSA-N -1 1 384.400 1.223 20 0 GDADMM COc1ccc(C(=O)NC2(C)CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)o1 ZINC001571238016 953225007 /nfs/dbraw/zinc/22/50/07/953225007.db2.gz RDYOKZXBTZGQEN-UHFFFAOYSA-N -1 1 384.400 1.047 20 0 GDADMM CCc1ccc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)s1 ZINC001571244579 953265370 /nfs/dbraw/zinc/26/53/70/953265370.db2.gz BMYYPKJURASKME-NSHDSACASA-N -1 1 384.469 1.679 20 0 GDADMM CCc1ccc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)s1 ZINC001571244579 953265373 /nfs/dbraw/zinc/26/53/73/953265373.db2.gz BMYYPKJURASKME-NSHDSACASA-N -1 1 384.469 1.679 20 0 GDADMM Cc1ccsc1C(=O)N1CC[C@H]([C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571244636 953265861 /nfs/dbraw/zinc/26/58/61/953265861.db2.gz CUAFETGLQZAJQL-NEPJUHHUSA-N -1 1 384.469 1.989 20 0 GDADMM Cc1ccsc1C(=O)N1CC[C@H]([C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571244636 953265863 /nfs/dbraw/zinc/26/58/63/953265863.db2.gz CUAFETGLQZAJQL-NEPJUHHUSA-N -1 1 384.469 1.989 20 0 GDADMM Cc1csc(C(=O)NC2(C)CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)c1 ZINC001571244785 953267547 /nfs/dbraw/zinc/26/75/47/953267547.db2.gz IQERIOSVHWDPOA-UHFFFAOYSA-N -1 1 384.469 1.816 20 0 GDADMM Cc1csc(C(=O)NC2(C)CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)c1 ZINC001571244785 953267549 /nfs/dbraw/zinc/26/75/49/953267549.db2.gz IQERIOSVHWDPOA-UHFFFAOYSA-N -1 1 384.469 1.816 20 0 GDADMM CCc1ccsc1C(=O)N[C@H]1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571245030 953269853 /nfs/dbraw/zinc/26/98/53/953269853.db2.gz MKXZUHKOKCCNSR-UMSPYCQHSA-N -1 1 384.469 1.901 20 0 GDADMM CCc1ccsc1C(=O)N[C@H]1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571245030 953269854 /nfs/dbraw/zinc/26/98/54/953269854.db2.gz MKXZUHKOKCCNSR-UMSPYCQHSA-N -1 1 384.469 1.901 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CC[C@@H](NC(=O)C3=COCCC3)C2)n1 ZINC001571248143 953289602 /nfs/dbraw/zinc/28/96/02/953289602.db2.gz FEKSOYDRETUGPN-GXTWGEPZSA-N -1 1 384.444 1.356 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CC[C@@H](NC(=O)C3=COCCC3)C2)n1 ZINC001571248143 953289605 /nfs/dbraw/zinc/28/96/05/953289605.db2.gz FEKSOYDRETUGPN-GXTWGEPZSA-N -1 1 384.444 1.356 20 0 GDADMM C[C@H]1CC[C@H](CC(=O)N(C)C2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001571248998 953299672 /nfs/dbraw/zinc/29/96/72/953299672.db2.gz AOSFSPISGKGHHZ-KBPBESRZSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CC[C@H](NC(=O)CC2CC(C)(C)C2)CN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571249125 953301282 /nfs/dbraw/zinc/30/12/82/953301282.db2.gz DLJDEWVNUFBTAG-JSGCOSHPSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H]1CC[C@H](NC(=O)CC2CC(C)(C)C2)CN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571249125 953301286 /nfs/dbraw/zinc/30/12/86/953301286.db2.gz DLJDEWVNUFBTAG-JSGCOSHPSA-N -1 1 384.488 1.957 20 0 GDADMM CC1CC(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)CC(C)(C)C2)C1 ZINC001571249170 953302025 /nfs/dbraw/zinc/30/20/25/953302025.db2.gz FIDLCIQAPAUALC-JXQTWKCFSA-N -1 1 384.488 1.814 20 0 GDADMM CC1CC(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)CC(C)(C)C2)C1 ZINC001571249170 953302028 /nfs/dbraw/zinc/30/20/28/953302028.db2.gz FIDLCIQAPAUALC-JXQTWKCFSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)CC[C@H](C(=O)NC[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571249374 953304483 /nfs/dbraw/zinc/30/44/83/953304483.db2.gz HZTBNCGJNQHNJR-KGLIPLIRSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C)CC[C@H](C(=O)NC[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571249374 953304488 /nfs/dbraw/zinc/30/44/88/953304488.db2.gz HZTBNCGJNQHNJR-KGLIPLIRSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C)CC(CC(=O)N[C@@H]2CC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571249683 953307361 /nfs/dbraw/zinc/30/73/61/953307361.db2.gz KJBXZVDQTKAWMC-TZMCWYRMSA-N -1 1 384.488 1.602 20 0 GDADMM CC1(C)CCC(CC(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001571250602 953311907 /nfs/dbraw/zinc/31/19/07/953311907.db2.gz RDRNSIGFBALVJT-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CCC(CC(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571250602 953311911 /nfs/dbraw/zinc/31/19/11/953311911.db2.gz RDRNSIGFBALVJT-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM O=C(NC1CC2(C1)CC(Nc1ccc(-c3nnn[n-]3)nn1)C2)[C@@H]1CCCCO1 ZINC001571251229 953315876 /nfs/dbraw/zinc/31/58/76/953315876.db2.gz SVQIOYKPMIZUMW-OGWWSKEASA-N -1 1 384.444 1.065 20 0 GDADMM O=C(NC1CC2(C1)CC(Nc1ccc(-c3nn[n-]n3)nn1)C2)[C@@H]1CCCCO1 ZINC001571251229 953315878 /nfs/dbraw/zinc/31/58/78/953315878.db2.gz SVQIOYKPMIZUMW-OGWWSKEASA-N -1 1 384.444 1.065 20 0 GDADMM CC1(C)CC[C@H]1C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C ZINC001571251439 953317612 /nfs/dbraw/zinc/31/76/12/953317612.db2.gz XNZMZUSIZRWPRM-GXTWGEPZSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)CC[C@H]1C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C ZINC001571251439 953317617 /nfs/dbraw/zinc/31/76/17/953317617.db2.gz XNZMZUSIZRWPRM-GXTWGEPZSA-N -1 1 384.488 1.814 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCN(C(=O)[C@@H]3C[C@H]3CC(C)C)CC2)n1 ZINC001571252313 953326137 /nfs/dbraw/zinc/32/61/37/953326137.db2.gz KTKXNECXAJOEEF-HUUCEWRRSA-N -1 1 384.488 1.686 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCN(C(=O)[C@@H]3C[C@H]3CC(C)C)CC2)n1 ZINC001571252313 953326144 /nfs/dbraw/zinc/32/61/44/953326144.db2.gz KTKXNECXAJOEEF-HUUCEWRRSA-N -1 1 384.488 1.686 20 0 GDADMM CCc1nc(N[C@H]2C[C@@H](CNC(=O)[C@H]3C[C@@H]3C(C)C)C2)cc(-c2nnn[n-]2)n1 ZINC001571252928 953334166 /nfs/dbraw/zinc/33/41/66/953334166.db2.gz ZCACMGRQFATTAW-RQJABVFESA-N -1 1 384.488 1.818 20 0 GDADMM CCc1nc(N[C@H]2C[C@@H](CNC(=O)[C@H]3C[C@@H]3C(C)C)C2)cc(-c2nn[n-]n2)n1 ZINC001571252928 953334170 /nfs/dbraw/zinc/33/41/70/953334170.db2.gz ZCACMGRQFATTAW-RQJABVFESA-N -1 1 384.488 1.818 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](CNC(=O)C3CCCCCC3)C2)n1 ZINC001571252931 953334211 /nfs/dbraw/zinc/33/42/11/953334211.db2.gz ZJTQNUUECPUHDO-AWEZNQCLSA-N -1 1 384.488 1.878 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](CNC(=O)C3CCCCCC3)C2)n1 ZINC001571252931 953334212 /nfs/dbraw/zinc/33/42/12/953334212.db2.gz ZJTQNUUECPUHDO-AWEZNQCLSA-N -1 1 384.488 1.878 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cccc(Cl)c1 ZINC001571255798 953356107 /nfs/dbraw/zinc/35/61/07/953356107.db2.gz PTZPKDRONPISCR-ZDUSSCGKSA-N -1 1 384.831 1.709 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cccc(Cl)c1 ZINC001571255798 953356119 /nfs/dbraw/zinc/35/61/19/953356119.db2.gz PTZPKDRONPISCR-ZDUSSCGKSA-N -1 1 384.831 1.709 20 0 GDADMM CC1(c2nnc(C3CCOCC3)o2)CN(C(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001571256295 953367141 /nfs/dbraw/zinc/36/71/41/953367141.db2.gz SGRPPQKXVAYOEA-UHFFFAOYSA-N -1 1 385.384 1.150 20 0 GDADMM CC1(c2nnc(C3CCOCC3)o2)CN(C(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001571256295 953367147 /nfs/dbraw/zinc/36/71/47/953367147.db2.gz SGRPPQKXVAYOEA-UHFFFAOYSA-N -1 1 385.384 1.150 20 0 GDADMM CCc1ccc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])c(O)c1 ZINC001593635617 953609587 /nfs/dbraw/zinc/60/95/87/953609587.db2.gz YBNQKKFNHXZXMU-AAEUAGOBSA-N -1 1 388.342 1.691 20 0 GDADMM Cc1ccc(NC(=O)CN2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1S(=O)(=O)N(C)C ZINC000629497951 953828074 /nfs/dbraw/zinc/82/80/74/953828074.db2.gz FWUGCGXRZUYXDE-DZGCQCFKSA-N -1 1 397.497 1.226 20 0 GDADMM COc1cccc([C@@H]2[C@H](NC(=O)c3cnc(C(=O)[O-])cn3)CCN2C2CC2)c1 ZINC000647171153 953951789 /nfs/dbraw/zinc/95/17/89/953951789.db2.gz BCQQEYPWLVAPBK-CRAIPNDOSA-N -1 1 382.420 1.891 20 0 GDADMM CN(C)C(=O)N(C)[C@H]1CCN(Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)C1 ZINC001593687598 953999278 /nfs/dbraw/zinc/99/92/78/953999278.db2.gz VMMHLMWDSYLYJO-GJZGRUSLSA-N -1 1 378.473 1.768 20 0 GDADMM CN(C)Cc1ccnc(NC(=O)N2C[C@@H](c3cnn(C)c3)C[C@H](C(=O)[O-])C2)c1 ZINC001593703842 954143010 /nfs/dbraw/zinc/14/30/10/954143010.db2.gz ISJNNCZJBFTLPP-GJZGRUSLSA-N -1 1 386.456 1.599 20 0 GDADMM O=C([O-])C1CC2(C1)CC[C@@H](CNC(=O)N1CCC[C@@H](CN3CCOCC3)C1)O2 ZINC001594904807 954665228 /nfs/dbraw/zinc/66/52/28/954665228.db2.gz HGUZLCRQOCFCHE-HMFCVHIJSA-N -1 1 395.500 1.153 20 0 GDADMM O=C([O-])[C@@H]1CCCN(c2ccc(CNCC[S@](=O)CC(F)(F)F)o2)C1 ZINC001594915006 954737701 /nfs/dbraw/zinc/73/77/01/954737701.db2.gz CKJDDIFHNWHQPD-NDHGSNPTSA-N -1 1 382.404 1.981 20 0 GDADMM COC(=O)C1CC2(C1)CN(C(=O)c1cn[nH]c1-c1ccccn1)C[C@H]2C(=O)[O-] ZINC001593823022 955058342 /nfs/dbraw/zinc/05/83/42/955058342.db2.gz GONONCBOLNFJDN-FPGGMFCHSA-N -1 1 384.392 1.198 20 0 GDADMM O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cccc2c1OCO2 ZINC000851703152 955823976 /nfs/dbraw/zinc/82/39/76/955823976.db2.gz OAZKWMPLNGFQAA-MWLCHTKSSA-N -1 1 388.298 1.152 20 0 GDADMM Cc1cc2c[nH]nc2c(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])c1 ZINC000852958409 955893633 /nfs/dbraw/zinc/89/36/33/955893633.db2.gz KYKXFFCQOBUZNK-DGCLKSJQSA-N -1 1 398.341 1.608 20 0 GDADMM C[C@H](NC(=O)C1(C(=O)[O-])CCOCC1)c1cc(F)ccc1N1CCN(C)CC1 ZINC001589091110 955940461 /nfs/dbraw/zinc/94/04/61/955940461.db2.gz NUPJVIPZPRNIQA-AWEZNQCLSA-N -1 1 393.459 1.636 20 0 GDADMM Cn1nccc1[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1O)C(=O)[O-] ZINC001594592888 956064668 /nfs/dbraw/zinc/06/46/68/956064668.db2.gz MBFSKEKTIAOIKF-LLVKDONJSA-N -1 1 379.316 1.249 20 0 GDADMM 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C[C@H]1CCN(C(=O)c2ccc(I)c([O-])c2)CC[S@]1=O ZINC000430342224 532248036 /nfs/dbraw/zinc/24/80/36/532248036.db2.gz HLKMPZBHNBUUTA-ZRNGKTOUSA-N -1 1 393.246 1.980 20 0 GDADMM C[C@@H]1Cc2cc(S(=O)(=O)N[C@@H](Cc3cnc[nH]3)C(=O)[O-])cc(Cl)c2O1 ZINC000274988007 532250944 /nfs/dbraw/zinc/25/09/44/532250944.db2.gz YRYUUQMWJIXHPI-OQPBUACISA-N -1 1 385.829 1.361 20 0 GDADMM Cc1nc(S(=O)(=O)[N-]CCC(=O)OC(C)(C)C)c(Br)n1C ZINC000288370727 532285249 /nfs/dbraw/zinc/28/52/49/532285249.db2.gz ZAGUULSFIQSPHG-UHFFFAOYSA-N -1 1 382.280 1.501 20 0 GDADMM CC1(C)CCCCN(S(=O)(=O)CCCS(=O)(=O)[N-]CC(F)F)C1 ZINC000349454943 532288305 /nfs/dbraw/zinc/28/83/05/532288305.db2.gz BXESERBKKXBOJJ-UHFFFAOYSA-N -1 1 376.491 1.403 20 0 GDADMM COC(=O)c1sc(S(=O)(=O)NCC(C)(C)C(=O)[O-])c(C(=O)OC)c1C ZINC000275170150 532272944 /nfs/dbraw/zinc/27/29/44/532272944.db2.gz BXCSUGNCHGFVMA-UHFFFAOYSA-N -1 1 393.439 1.019 20 0 GDADMM NS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2cccc3cnccc32)c1 ZINC000392262527 532299591 /nfs/dbraw/zinc/29/95/91/532299591.db2.gz FJLQYOMSENHVRX-UHFFFAOYSA-N -1 1 378.435 1.651 20 0 GDADMM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC3COC3)cc2)cc1 ZINC000275602757 532301986 /nfs/dbraw/zinc/30/19/86/532301986.db2.gz FCVLCHQDZGLIKI-UHFFFAOYSA-N -1 1 383.447 1.669 20 0 GDADMM CCOC(=O)C(=O)c1cc(S(=O)(=O)[N-]c2cc(C)cnc2Cl)cn1C ZINC000288469443 532291252 /nfs/dbraw/zinc/29/12/52/532291252.db2.gz AYVUKCUQACXARR-UHFFFAOYSA-N -1 1 385.829 1.929 20 0 GDADMM CCOC(=O)[C@H]([N-]S(=O)(=O)[C@H]1CCO[C@H]1C)c1ccc(OC)c(F)c1 ZINC000276205644 532322883 /nfs/dbraw/zinc/32/28/83/532322883.db2.gz OBSCJKCEDRGMQM-NZVBXONLSA-N -1 1 375.418 1.535 20 0 GDADMM CSCCCCC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000737183555 598845411 /nfs/dbraw/zinc/84/54/11/598845411.db2.gz YTSUUHUZDXYPOA-UHFFFAOYSA-N -1 1 391.501 1.914 20 0 GDADMM CC(C)c1cc(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)on1 ZINC000735921310 598866379 /nfs/dbraw/zinc/86/63/79/598866379.db2.gz OTDDTUFECDNHMQ-UHFFFAOYSA-N -1 1 398.427 1.806 20 0 GDADMM O=S(=O)(NCC1(c2cccc(Cl)c2)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738342209 598877886 /nfs/dbraw/zinc/87/78/86/598877886.db2.gz HWDMYMPPAWQPTO-UHFFFAOYSA-N -1 1 390.856 1.925 20 0 GDADMM O=S(=O)(NCC1(c2cccc(Cl)c2)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738342209 598877887 /nfs/dbraw/zinc/87/78/87/598877887.db2.gz HWDMYMPPAWQPTO-UHFFFAOYSA-N -1 1 390.856 1.925 20 0 GDADMM O=C(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)N1CCCNC(=O)C1 ZINC000738301772 598909035 /nfs/dbraw/zinc/90/90/35/598909035.db2.gz AGDDMNOLFUXMIL-UHFFFAOYSA-N -1 1 397.464 1.627 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H]1CCN(C(C)C)C1=O ZINC000737548953 598928228 /nfs/dbraw/zinc/92/82/28/598928228.db2.gz RTPMJVGNOSGMDR-LBPRGKRZSA-N -1 1 383.412 1.298 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H]1CCN(C(C)C)C1=O ZINC000737548953 598928231 /nfs/dbraw/zinc/92/82/31/598928231.db2.gz RTPMJVGNOSGMDR-LBPRGKRZSA-N -1 1 383.412 1.298 20 0 GDADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccccc1Cn1cncn1 ZINC000737301371 598930093 /nfs/dbraw/zinc/93/00/93/598930093.db2.gz KZNDNBCAEWMZQP-UHFFFAOYSA-N -1 1 396.436 1.616 20 0 GDADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccn(-c2ccncc2)n1 ZINC000737301084 598931768 /nfs/dbraw/zinc/93/17/68/598931768.db2.gz HJMVGWLYMXDBAS-UHFFFAOYSA-N -1 1 382.409 1.557 20 0 GDADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)NCC2 ZINC000737224864 598950756 /nfs/dbraw/zinc/95/07/56/598950756.db2.gz ITCITFCMMOSKSY-UHFFFAOYSA-N -1 1 384.421 1.262 20 0 GDADMM O=S(=O)(NCCNc1c2ccccc2nnc1-c1nnn[n-]1)c1ccccc1 ZINC000738337455 598958536 /nfs/dbraw/zinc/95/85/36/598958536.db2.gz BREJQECMAWJFDL-UHFFFAOYSA-N -1 1 396.436 1.200 20 0 GDADMM O=S(=O)(NCCNc1c2ccccc2nnc1-c1nn[n-]n1)c1ccccc1 ZINC000738337455 598958538 /nfs/dbraw/zinc/95/85/38/598958538.db2.gz BREJQECMAWJFDL-UHFFFAOYSA-N -1 1 396.436 1.200 20 0 GDADMM c1nc(CN2CCN(c3c4ccccc4nnc3-c3nnn[n-]3)CC2)cs1 ZINC000738438114 598963082 /nfs/dbraw/zinc/96/30/82/598963082.db2.gz WQXPNAZXCKGXMO-UHFFFAOYSA-N -1 1 379.453 1.589 20 0 GDADMM c1nc(CN2CCN(c3c4ccccc4nnc3-c3nn[n-]n3)CC2)cs1 ZINC000738438114 598963083 /nfs/dbraw/zinc/96/30/83/598963083.db2.gz WQXPNAZXCKGXMO-UHFFFAOYSA-N -1 1 379.453 1.589 20 0 GDADMM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3cccc(-c4nn[nH]n4)c3C)cc12 ZINC000822129541 607255728 /nfs/dbraw/zinc/25/57/28/607255728.db2.gz LAYHJGLWTBSOLZ-UHFFFAOYSA-N -1 1 384.425 1.566 20 0 GDADMM CSCC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1nnc2ccccn21 ZINC000737180638 598985044 /nfs/dbraw/zinc/98/50/44/598985044.db2.gz HERWCTTZGMMICK-ZDUSSCGKSA-N -1 1 395.452 1.529 20 0 GDADMM CSCC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1nnc2ccccn21 ZINC000737180638 598985045 /nfs/dbraw/zinc/98/50/45/598985045.db2.gz HERWCTTZGMMICK-ZDUSSCGKSA-N -1 1 395.452 1.529 20 0 GDADMM Cc1cc(C)n(-c2ccc(CNC(=O)c3ccc(-c4nnn[n-]4)nc3)cn2)n1 ZINC000737256509 598994523 /nfs/dbraw/zinc/99/45/23/598994523.db2.gz MYYCGGQLVBDSFE-UHFFFAOYSA-N -1 1 375.396 1.389 20 0 GDADMM Cc1cc(C)n(-c2ccc(CNC(=O)c3ccc(-c4nn[n-]n4)nc3)cn2)n1 ZINC000737256509 598994525 /nfs/dbraw/zinc/99/45/25/598994525.db2.gz MYYCGGQLVBDSFE-UHFFFAOYSA-N -1 1 375.396 1.389 20 0 GDADMM COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736895645 599000567 /nfs/dbraw/zinc/00/05/67/599000567.db2.gz ZFUGGIWVXIYTMS-ZDUSSCGKSA-N -1 1 380.408 1.713 20 0 GDADMM COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736895645 599000568 /nfs/dbraw/zinc/00/05/68/599000568.db2.gz ZFUGGIWVXIYTMS-ZDUSSCGKSA-N -1 1 380.408 1.713 20 0 GDADMM COCCN(CCOc1ccc(F)cc1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736994335 599004386 /nfs/dbraw/zinc/00/43/86/599004386.db2.gz GFDMAUJLIWXFRM-UHFFFAOYSA-N -1 1 386.387 1.568 20 0 GDADMM COCCN(CCOc1ccc(F)cc1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736994335 599004388 /nfs/dbraw/zinc/00/43/88/599004388.db2.gz GFDMAUJLIWXFRM-UHFFFAOYSA-N -1 1 386.387 1.568 20 0 GDADMM O=C(CCC1CCCCC1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000737823176 599024198 /nfs/dbraw/zinc/02/41/98/599024198.db2.gz GGPITHNPPQDKBR-UHFFFAOYSA-N -1 1 397.483 1.907 20 0 GDADMM O=C(CCC1CCCCC1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000737823176 599024200 /nfs/dbraw/zinc/02/42/00/599024200.db2.gz GGPITHNPPQDKBR-UHFFFAOYSA-N -1 1 397.483 1.907 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000737549204 599055139 /nfs/dbraw/zinc/05/51/39/599055139.db2.gz UMRCRUAFWGGQMT-HNNXBMFYSA-N -1 1 396.329 1.698 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000737549204 599055143 /nfs/dbraw/zinc/05/51/43/599055143.db2.gz UMRCRUAFWGGQMT-HNNXBMFYSA-N -1 1 396.329 1.698 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCCOC[C@H]1CCCO1 ZINC000737201353 599055771 /nfs/dbraw/zinc/05/57/71/599055771.db2.gz RPWMVVYTTNHPQQ-CYBMUJFWSA-N -1 1 391.428 1.256 20 0 GDADMM Nc1n[nH]c(CCCNC(=O)Nc2cc(F)c(F)c(F)c2)c1-c1nnn[n-]1 ZINC000737776589 599061586 /nfs/dbraw/zinc/06/15/86/599061586.db2.gz RDWXDIXRGSRYFZ-UHFFFAOYSA-N -1 1 381.322 1.344 20 0 GDADMM Nc1n[nH]c(CCCNC(=O)Nc2cc(F)c(F)c(F)c2)c1-c1nn[n-]n1 ZINC000737776589 599061587 /nfs/dbraw/zinc/06/15/87/599061587.db2.gz RDWXDIXRGSRYFZ-UHFFFAOYSA-N -1 1 381.322 1.344 20 0 GDADMM Cc1cc(N2CC[C@@H](Nc3snc(Cl)c3-c3nnn[n-]3)C2=O)n(C)n1 ZINC000822207087 599083593 /nfs/dbraw/zinc/08/35/93/599083593.db2.gz KJOMOXSGZASSAJ-SSDOTTSWSA-N -1 1 379.837 1.236 20 0 GDADMM Cc1cc(N2CC[C@@H](Nc3snc(Cl)c3-c3nn[n-]n3)C2=O)n(C)n1 ZINC000822207087 599083595 /nfs/dbraw/zinc/08/35/95/599083595.db2.gz KJOMOXSGZASSAJ-SSDOTTSWSA-N -1 1 379.837 1.236 20 0 GDADMM O=S(=O)(N[C@@H]1CCCN(c2ccccc2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738341822 599084471 /nfs/dbraw/zinc/08/44/71/599084471.db2.gz GGOCMOJSIXZBBO-CYBMUJFWSA-N -1 1 385.453 1.209 20 0 GDADMM O=S(=O)(N[C@@H]1CCCN(c2ccccc2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738341822 599084475 /nfs/dbraw/zinc/08/44/75/599084475.db2.gz GGOCMOJSIXZBBO-CYBMUJFWSA-N -1 1 385.453 1.209 20 0 GDADMM C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c2ccccc2N(C)C1=O ZINC000736288550 599097323 /nfs/dbraw/zinc/09/73/23/599097323.db2.gz IZYYBGNNWLHONX-LLVKDONJSA-N -1 1 399.436 1.070 20 0 GDADMM C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c2ccccc2N(C)C1=O ZINC000736288550 599097325 /nfs/dbraw/zinc/09/73/25/599097325.db2.gz IZYYBGNNWLHONX-LLVKDONJSA-N -1 1 399.436 1.070 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1cccc2nccn21 ZINC000737198789 599118376 /nfs/dbraw/zinc/11/83/76/599118376.db2.gz DHPVNMCKMMDBOF-UHFFFAOYSA-N -1 1 378.396 1.803 20 0 GDADMM CCOc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736646159 599131876 /nfs/dbraw/zinc/13/18/76/599131876.db2.gz JHEQVTDXEHNSOG-LLVKDONJSA-N -1 1 382.380 1.844 20 0 GDADMM CCOc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736646159 599131878 /nfs/dbraw/zinc/13/18/78/599131878.db2.gz JHEQVTDXEHNSOG-LLVKDONJSA-N -1 1 382.380 1.844 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)NCc1ccccc1Cl ZINC000736157817 599138855 /nfs/dbraw/zinc/13/88/55/599138855.db2.gz NHTWBRUPSUWTEM-JTQLQIEISA-N -1 1 386.799 1.777 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)NCc1ccccc1Cl ZINC000736157817 599138857 /nfs/dbraw/zinc/13/88/57/599138857.db2.gz NHTWBRUPSUWTEM-JTQLQIEISA-N -1 1 386.799 1.777 20 0 GDADMM CN(Cc1ccc(Cl)s1)C(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736816939 599140604 /nfs/dbraw/zinc/14/06/04/599140604.db2.gz QDBHJNYNDMPZLW-UHFFFAOYSA-N -1 1 392.828 1.792 20 0 GDADMM CN(Cc1ccc(Cl)s1)C(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736816939 599140605 /nfs/dbraw/zinc/14/06/05/599140605.db2.gz QDBHJNYNDMPZLW-UHFFFAOYSA-N -1 1 392.828 1.792 20 0 GDADMM CC(C)[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000736223152 599140709 /nfs/dbraw/zinc/14/07/09/599140709.db2.gz HXEWOYMVCIHCIN-DVOMOZLQSA-N -1 1 386.456 1.948 20 0 GDADMM CC(C)[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000736223152 599140711 /nfs/dbraw/zinc/14/07/11/599140711.db2.gz HXEWOYMVCIHCIN-DVOMOZLQSA-N -1 1 386.456 1.948 20 0 GDADMM O=C(O[C@@H]1CCCN(c2cccc(F)c2)C1=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738215924 599141354 /nfs/dbraw/zinc/14/13/54/599141354.db2.gz STNYFXSTFAXQNL-OAHLLOKOSA-N -1 1 382.355 1.753 20 0 GDADMM O=C(O[C@@H]1CCCN(c2cccc(F)c2)C1=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738215924 599141356 /nfs/dbraw/zinc/14/13/56/599141356.db2.gz STNYFXSTFAXQNL-OAHLLOKOSA-N -1 1 382.355 1.753 20 0 GDADMM CCc1cnc(CNC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)s1 ZINC000821499770 599195190 /nfs/dbraw/zinc/19/51/90/599195190.db2.gz QERJOGHPYUEISX-UHFFFAOYSA-N -1 1 387.469 1.852 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCOC[C@@H]1c1ccco1 ZINC000738352956 599210947 /nfs/dbraw/zinc/21/09/47/599210947.db2.gz DNPQPXJILZIFHE-CYBMUJFWSA-N -1 1 379.373 1.361 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H](C)CCc1cccn1C ZINC000737198807 599227073 /nfs/dbraw/zinc/22/70/73/599227073.db2.gz DKZCGOALPTXLFI-LBPRGKRZSA-N -1 1 397.483 1.993 20 0 GDADMM C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)[C@H](c2ccccc2)CO1 ZINC000820767661 599235138 /nfs/dbraw/zinc/23/51/38/599235138.db2.gz JKDZALLNHRDEKH-WBMJQRKESA-N -1 1 386.437 1.412 20 0 GDADMM C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)[C@H](c2ccccc2)CO1 ZINC000820767661 599235141 /nfs/dbraw/zinc/23/51/41/599235141.db2.gz JKDZALLNHRDEKH-WBMJQRKESA-N -1 1 386.437 1.412 20 0 GDADMM COc1cccc(NC(=O)CN(C)C(=O)CN2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC000532881333 597076893 /nfs/dbraw/zinc/07/68/93/597076893.db2.gz ODVOEBKSRUDLAM-AWEZNQCLSA-N -1 1 377.441 1.279 20 0 GDADMM CNS(=O)(=O)c1cc(NC(=O)CN2CCC[C@H](CC(=O)[O-])C2)ccc1C ZINC000532712860 597087765 /nfs/dbraw/zinc/08/77/65/597087765.db2.gz YYULZFJTVDQVHM-CYBMUJFWSA-N -1 1 383.470 1.028 20 0 GDADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000565590796 597158577 /nfs/dbraw/zinc/15/85/77/597158577.db2.gz CGFJDLIEHQOUTE-UHFFFAOYSA-N -1 1 379.376 1.756 20 0 GDADMM O=C([O-])CCNC(=O)C(=O)Nc1ccc(-c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000821525592 597350760 /nfs/dbraw/zinc/35/07/60/597350760.db2.gz WLTZSQMYGRRZCZ-UHFFFAOYSA-N -1 1 379.376 1.668 20 0 GDADMM O=C([O-])CCNC(=O)C(=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000821525592 597350762 /nfs/dbraw/zinc/35/07/62/597350762.db2.gz WLTZSQMYGRRZCZ-UHFFFAOYSA-N -1 1 379.376 1.668 20 0 GDADMM CSc1ccccc1NC(=O)CN(C)C(=O)CN1CCC[C@H](CC(=O)[O-])C1 ZINC000820910299 597392330 /nfs/dbraw/zinc/39/23/30/597392330.db2.gz ZIVORFVGNJUFKL-CQSZACIVSA-N -1 1 393.509 1.992 20 0 GDADMM COc1cc2c(c(OC)c1OC)CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC000821728343 607307403 /nfs/dbraw/zinc/30/74/03/607307403.db2.gz UWIIVDRPVUZUOC-UHFFFAOYSA-N -1 1 383.412 1.288 20 0 GDADMM COc1cc2c(c(OC)c1OC)CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC000821728343 607307404 /nfs/dbraw/zinc/30/74/04/607307404.db2.gz UWIIVDRPVUZUOC-UHFFFAOYSA-N -1 1 383.412 1.288 20 0 GDADMM NC(=O)c1ccc(N2CCN(c3snc(Cl)c3-c3nnn[n-]3)CC2)cc1 ZINC000737759982 599269781 /nfs/dbraw/zinc/26/97/81/599269781.db2.gz MMFOBOJKDPBDAL-UHFFFAOYSA-N -1 1 390.860 1.402 20 0 GDADMM NC(=O)c1ccc(N2CCN(c3snc(Cl)c3-c3nn[n-]n3)CC2)cc1 ZINC000737759982 599269783 /nfs/dbraw/zinc/26/97/83/599269783.db2.gz MMFOBOJKDPBDAL-UHFFFAOYSA-N -1 1 390.860 1.402 20 0 GDADMM O=C(COc1ccccc1NCc1ccc(-c2nnn[n-]2)o1)N1CCOCC1 ZINC000823055237 607318955 /nfs/dbraw/zinc/31/89/55/607318955.db2.gz MEOGHGVFGZYCDR-UHFFFAOYSA-N -1 1 384.396 1.309 20 0 GDADMM O=C(COc1ccccc1NCc1ccc(-c2nn[n-]n2)o1)N1CCOCC1 ZINC000823055237 607318956 /nfs/dbraw/zinc/31/89/56/607318956.db2.gz MEOGHGVFGZYCDR-UHFFFAOYSA-N -1 1 384.396 1.309 20 0 GDADMM O=S(=O)([N-]c1ccc(-c2nn[nH]n2)cc1F)c1cnn(-c2ccccc2)c1 ZINC000823583328 607328204 /nfs/dbraw/zinc/32/82/04/607328204.db2.gz NFMMIODQRXCRAC-UHFFFAOYSA-N -1 1 385.384 1.992 20 0 GDADMM C[C@@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CCN1c1nccn2cnnc12 ZINC000820778490 607331621 /nfs/dbraw/zinc/33/16/21/607331621.db2.gz XOXLLIYDZDJWKT-SNVBAGLBSA-N -1 1 397.834 1.068 20 0 GDADMM C[C@@H]1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CCN1c1nccn2cnnc12 ZINC000820778490 607331622 /nfs/dbraw/zinc/33/16/22/607331622.db2.gz XOXLLIYDZDJWKT-SNVBAGLBSA-N -1 1 397.834 1.068 20 0 GDADMM CN(CC(=O)[O-])C(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000820562913 598161051 /nfs/dbraw/zinc/16/10/51/598161051.db2.gz ZARGWIOIFUTOSE-UHFFFAOYSA-N -1 1 386.145 1.289 20 0 GDADMM Cc1csc(-c2ccc(Nc3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)cc2)n1 ZINC000737448889 598248806 /nfs/dbraw/zinc/24/88/06/598248806.db2.gz SDEGUDQELBSYGX-UHFFFAOYSA-N -1 1 396.436 1.440 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCc1nnsc1Cl ZINC000737199540 598307911 /nfs/dbraw/zinc/30/79/11/598307911.db2.gz IARWGAZQQTYMPB-UHFFFAOYSA-N -1 1 395.832 1.765 20 0 GDADMM COC(=O)N1CCC[C@@H](NC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)C1 ZINC000736935966 598333456 /nfs/dbraw/zinc/33/34/56/598333456.db2.gz LSQPYGXRAPVPJY-GFCCVEGCSA-N -1 1 399.411 1.519 20 0 GDADMM COC(=O)N1CCC[C@@H](NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)C1 ZINC000736935966 598333457 /nfs/dbraw/zinc/33/34/57/598333457.db2.gz LSQPYGXRAPVPJY-GFCCVEGCSA-N -1 1 399.411 1.519 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CCC[C@H]2Cn2cccn2)cc1-c1nn[n-]n1 ZINC000737186601 598351173 /nfs/dbraw/zinc/35/11/73/598351173.db2.gz KAUJYNIUNKKHOE-JTQLQIEISA-N -1 1 386.441 1.191 20 0 GDADMM CCOc1ccc(C[C@@H](CNc2nccnc2-c2nnn[n-]2)C(=O)OC)cc1 ZINC000736644409 598351866 /nfs/dbraw/zinc/35/18/66/598351866.db2.gz YDCWWDPHWBFUEB-ZDUSSCGKSA-N -1 1 383.412 1.499 20 0 GDADMM CCOc1ccc(C[C@@H](CNc2nccnc2-c2nn[n-]n2)C(=O)OC)cc1 ZINC000736644409 598351867 /nfs/dbraw/zinc/35/18/67/598351867.db2.gz YDCWWDPHWBFUEB-ZDUSSCGKSA-N -1 1 383.412 1.499 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CCC[C@@H](c3cc[nH]n3)C2)cc1-c1nn[n-]n1 ZINC000737185697 598358564 /nfs/dbraw/zinc/35/85/64/598358564.db2.gz BKMQNMBRKOCMFX-SECBINFHSA-N -1 1 386.441 1.432 20 0 GDADMM CC[C@@H](Sc1nc(-c2ccc(OC)cc2)c(-c2nn[n-]n2)c(=O)[nH]1)C(N)=O ZINC000736393451 598378382 /nfs/dbraw/zinc/37/83/82/598378382.db2.gz YWKCXZHQZDZTFD-SNVBAGLBSA-N -1 1 387.425 1.394 20 0 GDADMM CCc1nn(Cc2nnc(-c3ccc(C)cc3)o2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736708727 598378375 /nfs/dbraw/zinc/37/83/75/598378375.db2.gz ZERMEZLTPFKORY-UHFFFAOYSA-N -1 1 392.423 1.955 20 0 GDADMM Cc1cc(F)ccc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000822204224 607354326 /nfs/dbraw/zinc/35/43/26/607354326.db2.gz IRVSYXAFPFAALL-GFCCVEGCSA-N -1 1 382.403 1.455 20 0 GDADMM Cc1cc(F)ccc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000822204224 607354327 /nfs/dbraw/zinc/35/43/27/607354327.db2.gz IRVSYXAFPFAALL-GFCCVEGCSA-N -1 1 382.403 1.455 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@H](c3ccccc3)CC2)n(C)c1=O ZINC000737595063 598459553 /nfs/dbraw/zinc/45/95/53/598459553.db2.gz DYDNBKPLZKPJHP-AWEZNQCLSA-N -1 1 381.440 1.038 20 0 GDADMM CCS(=O)(=O)CCNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000736658641 598502194 /nfs/dbraw/zinc/50/21/94/598502194.db2.gz GNPPIADHONQNBX-UHFFFAOYSA-N -1 1 396.498 1.026 20 0 GDADMM COc1ccccc1[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737147537 598526253 /nfs/dbraw/zinc/52/62/53/598526253.db2.gz MOLFQABXZNQFDS-HNNXBMFYSA-N -1 1 386.437 1.796 20 0 GDADMM COc1ccccc1[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737147537 598526255 /nfs/dbraw/zinc/52/62/55/598526255.db2.gz MOLFQABXZNQFDS-HNNXBMFYSA-N -1 1 386.437 1.796 20 0 GDADMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2csc(-c3ccccc3F)n2)c1=O ZINC000736720060 598580616 /nfs/dbraw/zinc/58/06/16/598580616.db2.gz YLBJKHJRGJHKIH-UHFFFAOYSA-N -1 1 399.411 1.521 20 0 GDADMM Brc1cccc(Cc2noc(Cn3cnc(-c4nn[n-]n4)n3)n2)c1 ZINC000735368251 598581432 /nfs/dbraw/zinc/58/14/32/598581432.db2.gz IYTVWBWEVCLHHG-UHFFFAOYSA-N -1 1 388.189 1.243 20 0 GDADMM CCc1nn(CC(=O)Nc2cc(C)ccc2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705889 598640280 /nfs/dbraw/zinc/64/02/80/598640280.db2.gz QIJLNCXZVVCPHG-UHFFFAOYSA-N -1 1 381.440 1.804 20 0 GDADMM CCc1nn(CC(=O)N[C@@H](C)c2cccs2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705064 598641603 /nfs/dbraw/zinc/64/16/03/598641603.db2.gz CDKBJWSOZYMHTN-JTQLQIEISA-N -1 1 387.469 1.487 20 0 GDADMM CCc1nn(CCOCc2ccc(OC)cc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706973 598642767 /nfs/dbraw/zinc/64/27/67/598642767.db2.gz NMFXMRAXCNHDNK-UHFFFAOYSA-N -1 1 384.440 1.774 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@H](n2ccnc2)C1 ZINC000737199114 598670413 /nfs/dbraw/zinc/67/04/13/598670413.db2.gz FRNZMORUWXRZSK-AWEZNQCLSA-N -1 1 396.455 1.577 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000735953373 598682669 /nfs/dbraw/zinc/68/26/69/598682669.db2.gz JCKKTLKWDXTVCU-UHFFFAOYSA-N -1 1 398.427 1.806 20 0 GDADMM COCCN(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737002627 598687246 /nfs/dbraw/zinc/68/72/46/598687246.db2.gz QAKCVMQGIOMZBW-UHFFFAOYSA-N -1 1 391.428 1.843 20 0 GDADMM CCOC(=O)CCN(CC1CC1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736596902 598693264 /nfs/dbraw/zinc/69/32/64/598693264.db2.gz UXYPYIHLEXKXHH-UHFFFAOYSA-N -1 1 397.432 1.360 20 0 GDADMM CC(C)CCOCCNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000735819777 598719071 /nfs/dbraw/zinc/71/90/71/598719071.db2.gz LESVYAFLAKIDNB-UHFFFAOYSA-N -1 1 384.440 1.361 20 0 GDADMM COCCc1noc(Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)n1 ZINC000737013139 598733353 /nfs/dbraw/zinc/73/33/53/598733353.db2.gz GMDGYXYTGGUHGM-UHFFFAOYSA-N -1 1 387.787 1.455 20 0 GDADMM Cc1ccc(N(C)C(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)nn1 ZINC000737347086 599314875 /nfs/dbraw/zinc/31/48/75/599314875.db2.gz LYGSRVPWDOXXFE-UHFFFAOYSA-N -1 1 392.427 1.220 20 0 GDADMM Cc1ccc(N(C)C(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)nn1 ZINC000737347086 599314879 /nfs/dbraw/zinc/31/48/79/599314879.db2.gz LYGSRVPWDOXXFE-UHFFFAOYSA-N -1 1 392.427 1.220 20 0 GDADMM O=S(=O)(NCc1ccccc1OC1CCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738345992 599325223 /nfs/dbraw/zinc/32/52/23/599325223.db2.gz UZPJDHKWKKSNAK-UHFFFAOYSA-N -1 1 386.437 1.672 20 0 GDADMM O=S(=O)(NCc1ccccc1OC1CCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738345992 599325226 /nfs/dbraw/zinc/32/52/26/599325226.db2.gz UZPJDHKWKKSNAK-UHFFFAOYSA-N -1 1 386.437 1.672 20 0 GDADMM CN(Cc1nc2ccccc2[nH]1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000821617135 599336172 /nfs/dbraw/zinc/33/61/72/599336172.db2.gz YFUMFSBHAVYHGH-UHFFFAOYSA-N -1 1 387.400 1.703 20 0 GDADMM CN(Cc1nc2ccccc2[nH]1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000821617135 599336175 /nfs/dbraw/zinc/33/61/75/599336175.db2.gz YFUMFSBHAVYHGH-UHFFFAOYSA-N -1 1 387.400 1.703 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCc2cncnc2C1 ZINC000823600072 599345511 /nfs/dbraw/zinc/34/55/11/599345511.db2.gz CJUPWGRMBRYGKZ-UHFFFAOYSA-N -1 1 377.817 1.057 20 0 GDADMM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)o1 ZINC000821481126 599349012 /nfs/dbraw/zinc/34/90/12/599349012.db2.gz HXYPSZHQGJAVGT-CYBMUJFWSA-N -1 1 395.416 1.827 20 0 GDADMM Cc1ccccc1[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC000822351784 599352732 /nfs/dbraw/zinc/35/27/32/599352732.db2.gz QQQYDUHCVUTFPJ-MRXNPFEDSA-N -1 1 386.437 1.332 20 0 GDADMM Cc1ccccc1[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC000822351784 599352733 /nfs/dbraw/zinc/35/27/33/599352733.db2.gz QQQYDUHCVUTFPJ-MRXNPFEDSA-N -1 1 386.437 1.332 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCOC2(CCCCC2)C1 ZINC000823606120 599361961 /nfs/dbraw/zinc/36/19/61/599361961.db2.gz FKPDEKYDXYPBOG-UHFFFAOYSA-N -1 1 381.433 1.730 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCOC2(CCCCC2)C1 ZINC000823606120 599361964 /nfs/dbraw/zinc/36/19/64/599361964.db2.gz FKPDEKYDXYPBOG-UHFFFAOYSA-N -1 1 381.433 1.730 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC[C@H](C)CC2(C)OCCO2)cc1-c1nn[n-]n1 ZINC000821977433 599394377 /nfs/dbraw/zinc/39/43/77/599394377.db2.gz GFRNBYQLICQEKE-SECBINFHSA-N -1 1 394.457 1.208 20 0 GDADMM O=C(COc1ccc(F)cc1)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000737921691 599410300 /nfs/dbraw/zinc/41/03/00/599410300.db2.gz YSLQZPBXTFVMRZ-UHFFFAOYSA-N -1 1 383.387 1.128 20 0 GDADMM O=C(COc1ccc(F)cc1)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000737921691 599410305 /nfs/dbraw/zinc/41/03/05/599410305.db2.gz YSLQZPBXTFVMRZ-UHFFFAOYSA-N -1 1 383.387 1.128 20 0 GDADMM CC(C)(C)NS(=O)(=O)c1ccccc1CNc1cccc(-c2nnn[n-]2)n1 ZINC000735622573 599418065 /nfs/dbraw/zinc/41/80/65/599418065.db2.gz CKTGUZMBBZLUCE-UHFFFAOYSA-N -1 1 387.469 1.951 20 0 GDADMM CC(C)(C)NS(=O)(=O)c1ccccc1CNc1cccc(-c2nn[n-]n2)n1 ZINC000735622573 599418066 /nfs/dbraw/zinc/41/80/66/599418066.db2.gz CKTGUZMBBZLUCE-UHFFFAOYSA-N -1 1 387.469 1.951 20 0 GDADMM O=S(=O)(Cc1ccccc1)N1CCC(Nc2cccc(-c3nnn[n-]3)n2)CC1 ZINC000738329972 599441731 /nfs/dbraw/zinc/44/17/31/599441731.db2.gz OYQNDXMPBLTOII-UHFFFAOYSA-N -1 1 399.480 1.668 20 0 GDADMM O=S(=O)(Cc1ccccc1)N1CCC(Nc2cccc(-c3nn[n-]n3)n2)CC1 ZINC000738329972 599441733 /nfs/dbraw/zinc/44/17/33/599441733.db2.gz OYQNDXMPBLTOII-UHFFFAOYSA-N -1 1 399.480 1.668 20 0 GDADMM CC1=C(C(=O)N2CCCCCC2)[C@@H](c2ccc(-c3nnn[n-]3)o2)NC(=S)N1 ZINC000820634772 599491920 /nfs/dbraw/zinc/49/19/20/599491920.db2.gz JIQCOGFVAFZEID-CQSZACIVSA-N -1 1 387.469 1.655 20 0 GDADMM CC1=C(C(=O)N2CCCCCC2)[C@@H](c2ccc(-c3nn[n-]n3)o2)NC(=S)N1 ZINC000820634772 599491922 /nfs/dbraw/zinc/49/19/22/599491922.db2.gz JIQCOGFVAFZEID-CQSZACIVSA-N -1 1 387.469 1.655 20 0 GDADMM CC1=C(C(=O)N(C)c2ccccc2)[C@H](c2ccc(-c3nnn[n-]3)o2)NC(=S)N1 ZINC000820635272 599492009 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ZINC000740691644 602566663 /nfs/dbraw/zinc/56/66/63/602566663.db2.gz ZGKIQTFNXZHDMN-ZWKOTPCHSA-N -1 1 375.469 1.579 20 0 GDADMM NC(=O)c1ccccc1OS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826393916 607576053 /nfs/dbraw/zinc/57/60/53/607576053.db2.gz OWUCSUDYBAKYKB-UHFFFAOYSA-N -1 1 379.785 1.387 20 0 GDADMM NC(=O)c1ccccc1OS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826393916 607576055 /nfs/dbraw/zinc/57/60/55/607576055.db2.gz OWUCSUDYBAKYKB-UHFFFAOYSA-N -1 1 379.785 1.387 20 0 GDADMM CCCN(C(=O)NC[C@@H](C(C)C)N1CCN(C)CC1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739347646 602613219 /nfs/dbraw/zinc/61/32/19/602613219.db2.gz AMDIHLHKKCAFNU-IRXDYDNUSA-N -1 1 383.537 1.432 20 0 GDADMM CCOC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825498791 607576558 /nfs/dbraw/zinc/57/65/58/607576558.db2.gz CQAXAWYGPAJWLE-GFCCVEGCSA-N -1 1 399.860 1.626 20 0 GDADMM CCOC(=O)c1cccc(OS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000825564661 607576755 /nfs/dbraw/zinc/57/67/55/607576755.db2.gz BKHVFGKGOXWLIU-UHFFFAOYSA-N -1 1 392.368 1.950 20 0 GDADMM CCOC(=O)c1cccc(OS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000825564661 607576757 /nfs/dbraw/zinc/57/67/57/607576757.db2.gz BKHVFGKGOXWLIU-UHFFFAOYSA-N -1 1 392.368 1.950 20 0 GDADMM CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)N[C@H]3CCN(C(=O)[O-])C3)c2C1 ZINC000738767218 602647092 /nfs/dbraw/zinc/64/70/92/602647092.db2.gz ONKRZVWWKVKNAZ-HIFRSBDPSA-N -1 1 388.468 1.854 20 0 GDADMM CCN(Cc1ccccc1NS(=O)(=O)c1cc(C(N)=O)n(C)c1)C(=O)[O-] ZINC000739445844 602654305 /nfs/dbraw/zinc/65/43/05/602654305.db2.gz QXOOPJUPMPVBNE-UHFFFAOYSA-N -1 1 380.426 1.425 20 0 GDADMM COCCN1CCC[C@H](NC(=O)c2cccn2C2CCN(C(=O)[O-])CC2)C1 ZINC000739832124 602700437 /nfs/dbraw/zinc/70/04/37/602700437.db2.gz FXOYXWCZGXCCPL-HNNXBMFYSA-N -1 1 378.473 1.644 20 0 GDADMM CN1CCN(c2ncccc2CNC(=O)NCC[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739737301 602708332 /nfs/dbraw/zinc/70/83/32/602708332.db2.gz WYTUFCSNBOAPCG-HNNXBMFYSA-N -1 1 390.488 1.023 20 0 GDADMM O=S(=O)(Oc1ccc(-n2ccnc2)cc1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826493500 607577816 /nfs/dbraw/zinc/57/78/16/607577816.db2.gz NIFWNEVXKJHSGV-UHFFFAOYSA-N -1 1 386.368 1.959 20 0 GDADMM O=S(=O)(Oc1ccc(-n2ccnc2)cc1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826493500 607577818 /nfs/dbraw/zinc/57/78/18/607577818.db2.gz NIFWNEVXKJHSGV-UHFFFAOYSA-N -1 1 386.368 1.959 20 0 GDADMM C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739171383 602774758 /nfs/dbraw/zinc/77/47/58/602774758.db2.gz BWEQBJTXFQKAJE-PMPSAXMXSA-N -1 1 390.484 1.407 20 0 GDADMM CCN1CCN(c2ccc(CNC(=O)NC[C@@H](NC(=O)[O-])C(C)C)cn2)CC1 ZINC000739456064 602797191 /nfs/dbraw/zinc/79/71/91/602797191.db2.gz LFGZYGMHDCMXMH-MRXNPFEDSA-N -1 1 392.504 1.315 20 0 GDADMM COc1cccc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1OC ZINC000826216167 607592136 /nfs/dbraw/zinc/59/21/36/607592136.db2.gz MZJOUNYCRGUSIK-UHFFFAOYSA-N -1 1 393.400 1.502 20 0 GDADMM COc1cccc(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1OC ZINC000826216167 607592137 /nfs/dbraw/zinc/59/21/37/607592137.db2.gz MZJOUNYCRGUSIK-UHFFFAOYSA-N -1 1 393.400 1.502 20 0 GDADMM CN1CCN(c2ccc(CNC(=O)N[C@H]3CCCCN(C(=O)[O-])C3)cn2)CC1 ZINC000739735624 602886189 /nfs/dbraw/zinc/88/61/89/602886189.db2.gz AMMWBHXCALJPSY-INIZCTEOSA-N -1 1 390.488 1.165 20 0 GDADMM COc1ccccc1[C@H](NC(=O)[O-])C(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000739971437 602905326 /nfs/dbraw/zinc/90/53/26/602905326.db2.gz BKZZXFLYJMLVAW-VYDXJSESSA-N -1 1 377.441 1.062 20 0 GDADMM O=C([O-])N1CCCC[C@@H](NC(=O)NC[C@H](O)CN2CCc3ccccc3C2)C1 ZINC000740405893 602968959 /nfs/dbraw/zinc/96/89/59/602968959.db2.gz QBGWWXWCBLTQIC-MSOLQXFVSA-N -1 1 390.484 1.237 20 0 GDADMM O=C([O-])N1CCC(n2cccc2C(=O)N2CC[C@@H](CN3CCOCC3)C2)CC1 ZINC000740508879 602971190 /nfs/dbraw/zinc/97/11/90/602971190.db2.gz FSJUPULRBSEKIO-INIZCTEOSA-N -1 1 390.484 1.597 20 0 GDADMM C[C@@H](COCC(F)(F)F)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824443108 607598901 /nfs/dbraw/zinc/59/89/01/607598901.db2.gz ZYHCBZHFNNUBRO-ZETCQYMHSA-N -1 1 399.782 1.766 20 0 GDADMM C[C@@H](COCC(F)(F)F)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824443108 607598902 /nfs/dbraw/zinc/59/89/02/607598902.db2.gz ZYHCBZHFNNUBRO-ZETCQYMHSA-N -1 1 399.782 1.766 20 0 GDADMM O=S(=O)(NC[C@H]1CCCCO1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826490292 607599199 /nfs/dbraw/zinc/59/91/99/607599199.db2.gz PICJVWOZRFLDOP-SNVBAGLBSA-N -1 1 391.375 1.733 20 0 GDADMM CCN1CCN(c2ccc(CNC(=O)[C@H]3CCC[C@H]3NC(=O)[O-])cn2)CC1 ZINC000739454756 603024949 /nfs/dbraw/zinc/02/49/49/603024949.db2.gz ARPHLXVJLHRJKV-JKSUJKDBSA-N -1 1 375.473 1.276 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1CCCN1C(=O)c1ccccc1O ZINC000826467191 607601502 /nfs/dbraw/zinc/60/15/02/607601502.db2.gz KWKQSBSPPAKVGI-OAHLLOKOSA-N -1 1 394.391 1.315 20 0 GDADMM CC[C@H]1CN(C(=O)c2cccn2C2CCN(C(=O)[O-])CC2)CCN1C[C@H](C)O ZINC000826691714 603058632 /nfs/dbraw/zinc/05/86/32/603058632.db2.gz VNRCBIOBTODHEO-HOTGVXAUSA-N -1 1 392.500 1.720 20 0 GDADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)CN3CCCCCC3=O)cc2)n1 ZINC000740681612 603060531 /nfs/dbraw/zinc/06/05/31/603060531.db2.gz PXFJJISVFGJFPM-UHFFFAOYSA-N -1 1 386.412 1.580 20 0 GDADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)CN3CCCCCC3=O)cc2)n[nH]1 ZINC000740681612 603060536 /nfs/dbraw/zinc/06/05/36/603060536.db2.gz PXFJJISVFGJFPM-UHFFFAOYSA-N -1 1 386.412 1.580 20 0 GDADMM CN(C[C@H]1CCCN(C(=O)c2cccc(CN3CCN(C)CC3)c2)C1)C(=O)[O-] ZINC000739736961 603090967 /nfs/dbraw/zinc/09/09/67/603090967.db2.gz TUBOQBBWQCZJHY-GOSISDBHSA-N -1 1 388.512 1.896 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(N2CCC(O)CC2)cc1 ZINC000826467392 607608200 /nfs/dbraw/zinc/60/82/00/607608200.db2.gz UJFASNGFOPACOR-UHFFFAOYSA-N -1 1 380.408 1.580 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(N2CCC(O)CC2)cc1 ZINC000826467392 607608202 /nfs/dbraw/zinc/60/82/02/607608202.db2.gz UJFASNGFOPACOR-UHFFFAOYSA-N -1 1 380.408 1.580 20 0 GDADMM Nc1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1Br ZINC000826396394 607611667 /nfs/dbraw/zinc/61/16/67/607611667.db2.gz VVFGHKHPWLYEKE-UHFFFAOYSA-N -1 1 375.186 1.963 20 0 GDADMM Nc1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1Br ZINC000826396394 607611669 /nfs/dbraw/zinc/61/16/69/607611669.db2.gz VVFGHKHPWLYEKE-UHFFFAOYSA-N -1 1 375.186 1.963 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCO[C@@H](c2nccs2)C1 ZINC000826496183 607613890 /nfs/dbraw/zinc/61/38/90/607613890.db2.gz NRRCSHUGANPCCL-SNVBAGLBSA-N -1 1 396.429 1.225 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCO[C@@H](c2nccs2)C1 ZINC000826496183 607613892 /nfs/dbraw/zinc/61/38/92/607613892.db2.gz NRRCSHUGANPCCL-SNVBAGLBSA-N -1 1 396.429 1.225 20 0 GDADMM CC(C)C[C@](C)(CNC(=O)[O-])NC(=O)c1ccnc(N2CCN(C)CC2)c1 ZINC000738809911 603220804 /nfs/dbraw/zinc/22/08/04/603220804.db2.gz YEKHIFWKAXNULS-LJQANCHMSA-N -1 1 377.489 1.636 20 0 GDADMM Cc1noc2ncc(S(=O)(=O)Nc3cccc(OCCNC(=O)[O-])c3)cc12 ZINC000740266233 603288230 /nfs/dbraw/zinc/28/82/30/603288230.db2.gz HTVGQHJXNSWGEQ-UHFFFAOYSA-N -1 1 392.393 1.978 20 0 GDADMM CSC[C@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826227973 607619837 /nfs/dbraw/zinc/61/98/37/607619837.db2.gz AFTNKKNUMOCGTP-ZETCQYMHSA-N -1 1 381.405 1.915 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCC[C@@H]1Cn1cccn1 ZINC000826494990 607621849 /nfs/dbraw/zinc/62/18/49/607621849.db2.gz XYODWBJRZYHDHL-GFCCVEGCSA-N -1 1 393.860 1.570 20 0 GDADMM CCN1CCN(c2ccc(CNC(=O)C[C@@H]3CCCN3C(=O)[O-])cn2)CC1 ZINC000827229060 603343140 /nfs/dbraw/zinc/34/31/40/603343140.db2.gz SWSCPTNOCFGBTE-INIZCTEOSA-N -1 1 375.473 1.372 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)Nc2cccc3c2CCN(C(=O)[O-])C3)c[nH]1 ZINC000828761114 603398836 /nfs/dbraw/zinc/39/88/36/603398836.db2.gz OKICGAMCLJUZMZ-UHFFFAOYSA-N -1 1 379.394 1.638 20 0 GDADMM CCS(=O)(=O)c1ccc(O)c(NC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])c1 ZINC000827490111 603433238 /nfs/dbraw/zinc/43/32/38/603433238.db2.gz TZWHRUSOCDNILC-LLVKDONJSA-N -1 1 386.426 1.283 20 0 GDADMM C[C@H](O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000824707797 607630667 /nfs/dbraw/zinc/63/06/67/607630667.db2.gz WBWSIXSUJVZNJR-NSHDSACASA-N -1 1 383.449 1.710 20 0 GDADMM COC1CCN(CCNC(=O)C(=O)Nc2cc(NC(=O)[O-])ccc2F)CC1 ZINC000828880074 603463107 /nfs/dbraw/zinc/46/31/07/603463107.db2.gz GENBRQDTGKJTPQ-UHFFFAOYSA-N -1 1 382.392 1.081 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N(CCO)Cc1cccnc1 ZINC000826495233 607632952 /nfs/dbraw/zinc/63/29/52/607632952.db2.gz HXOQCSCAHUIQBP-UHFFFAOYSA-N -1 1 394.844 1.098 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N(CCO)Cc1cccnc1 ZINC000826495233 607632953 /nfs/dbraw/zinc/63/29/53/607632953.db2.gz HXOQCSCAHUIQBP-UHFFFAOYSA-N -1 1 394.844 1.098 20 0 GDADMM C[C@@H](c1ccccc1)[C@@H](CO)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824769842 607636585 /nfs/dbraw/zinc/63/65/85/607636585.db2.gz CCWDSKOOOPCRCE-XHDPSFHLSA-N -1 1 391.428 1.449 20 0 GDADMM CC(C)[C@@H](CCN(C)C(=O)Cn1c(=O)c2ccccc2[nH]c1=S)NC(=O)[O-] ZINC000824080206 603607629 /nfs/dbraw/zinc/60/76/29/603607629.db2.gz XYOJUFKHHXQPHW-CYBMUJFWSA-N -1 1 392.481 1.826 20 0 GDADMM COC(=O)CN(CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)C1CCCC1 ZINC000826137943 607640129 /nfs/dbraw/zinc/64/01/29/607640129.db2.gz AFBJXWKQVYVLMF-UHFFFAOYSA-N -1 1 376.417 1.433 20 0 GDADMM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)Nc1ccc(CN2CCN(C)CC2)cc1 ZINC000826115651 603658216 /nfs/dbraw/zinc/65/82/16/603658216.db2.gz JFSRSILFGMRDOP-YOEHRIQHSA-N -1 1 390.484 1.876 20 0 GDADMM COc1ccnc(N2CCN(C(=O)N[C@@H](CNC(=O)[O-])CC(C)C)CC2)c1 ZINC000829650222 603666824 /nfs/dbraw/zinc/66/68/24/603666824.db2.gz PZDVBECCEMPDNR-CQSZACIVSA-N -1 1 379.461 1.604 20 0 GDADMM CCO[C@H]1C[C@@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C12CCC2 ZINC000825582241 607646994 /nfs/dbraw/zinc/64/69/94/607646994.db2.gz IMCKJEADLAWWBI-KGLIPLIRSA-N -1 1 381.433 1.632 20 0 GDADMM COc1cccc([C@@H](CNC(=O)COC2CN(C(=O)[O-])C2)N2CCCC2)c1 ZINC000829544025 603741040 /nfs/dbraw/zinc/74/10/40/603741040.db2.gz RFCXUOVCTIGEPA-QGZVFWFLSA-N -1 1 377.441 1.327 20 0 GDADMM Cc1ccc2nc(CNC(=O)C(=O)Nc3cccc(CNC(=O)[O-])c3)[nH]c2c1 ZINC000830432757 603741729 /nfs/dbraw/zinc/74/17/29/603741729.db2.gz KQRWUUYVZKLECT-UHFFFAOYSA-N -1 1 381.392 1.894 20 0 GDADMM CC(=O)Nc1ccc(OS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c(F)c1 ZINC000823999682 607653479 /nfs/dbraw/zinc/65/34/79/607653479.db2.gz HEVTVKGMRCPZEX-UHFFFAOYSA-N -1 1 395.347 1.871 20 0 GDADMM CC(=O)Nc1ccc(OS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c(F)c1 ZINC000823999682 607653480 /nfs/dbraw/zinc/65/34/80/607653480.db2.gz HEVTVKGMRCPZEX-UHFFFAOYSA-N -1 1 395.347 1.871 20 0 GDADMM C[C@H](CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)Oc1ccccc1F ZINC000824427772 607650458 /nfs/dbraw/zinc/65/04/58/607650458.db2.gz OTMKTRJCSFXKPX-SNVBAGLBSA-N -1 1 395.391 1.891 20 0 GDADMM C[C@H](CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)Oc1ccccc1F ZINC000824427772 607650460 /nfs/dbraw/zinc/65/04/60/607650460.db2.gz OTMKTRJCSFXKPX-SNVBAGLBSA-N -1 1 395.391 1.891 20 0 GDADMM CC[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1c(C)nn(C)c1C ZINC000825148867 607654183 /nfs/dbraw/zinc/65/41/83/607654183.db2.gz UTIAQLBNEATVHU-ZDUSSCGKSA-N -1 1 393.448 1.786 20 0 GDADMM O=C([O-])N[C@@H](CNC(=O)N1CCC(CN2CCOCC2)CC1)c1ccccc1 ZINC000832129431 603891535 /nfs/dbraw/zinc/89/15/35/603891535.db2.gz YHPPMXSPPIJJQS-SFHVURJKSA-N -1 1 390.484 1.749 20 0 GDADMM COC[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826149822 607659129 /nfs/dbraw/zinc/65/91/29/607659129.db2.gz PQIOYFGROYRYEW-ZDUSSCGKSA-N -1 1 391.428 1.542 20 0 GDADMM COC[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826149822 607659130 /nfs/dbraw/zinc/65/91/30/607659130.db2.gz PQIOYFGROYRYEW-ZDUSSCGKSA-N -1 1 391.428 1.542 20 0 GDADMM CCn1ncc2c1CCC[C@@H]2NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825807627 607660848 /nfs/dbraw/zinc/66/08/48/607660848.db2.gz SNGMUQBEGRYWBA-LBPRGKRZSA-N -1 1 391.432 1.578 20 0 GDADMM CCn1ncc2c1CCC[C@@H]2NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825807627 607660850 /nfs/dbraw/zinc/66/08/50/607660850.db2.gz SNGMUQBEGRYWBA-LBPRGKRZSA-N -1 1 391.432 1.578 20 0 GDADMM CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)N2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])C1 ZINC000827297224 603971602 /nfs/dbraw/zinc/97/16/02/603971602.db2.gz JLCGJSDBIBTTBZ-FPCVCCKLSA-N -1 1 381.473 1.393 20 0 GDADMM Cc1ccc(NC(=O)CN(C)C(=O)CN(C)C2CCN(C(=O)[O-])CC2)cc1 ZINC000830369426 603988806 /nfs/dbraw/zinc/98/88/06/603988806.db2.gz AZDUKCJHFPKTGG-UHFFFAOYSA-N -1 1 376.457 1.466 20 0 GDADMM O=S(=O)(NCCn1cccc1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826491290 607664888 /nfs/dbraw/zinc/66/48/88/607664888.db2.gz BDKAACWVGRAJJR-UHFFFAOYSA-N -1 1 386.359 1.666 20 0 GDADMM C[C@@H]1CN(C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)C[C@H](C)N1C(=O)[O-] ZINC000825987977 604001469 /nfs/dbraw/zinc/00/14/69/604001469.db2.gz GUAAQDOHJPEQLD-PHIMTYICSA-N -1 1 376.438 1.284 20 0 GDADMM C[C@@H]1CN(C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)C[C@@H](C)N1C(=O)[O-] ZINC000825987976 604001690 /nfs/dbraw/zinc/00/16/90/604001690.db2.gz GUAAQDOHJPEQLD-GHMZBOCLSA-N -1 1 376.438 1.284 20 0 GDADMM CC(C)(C)c1n[nH]c([C@@H]2CN(C(=O)NC[C@@H]3CCCN3C(=O)[O-])CCO2)n1 ZINC000823864965 604002930 /nfs/dbraw/zinc/00/29/30/604002930.db2.gz SEGSHFFCNZZOQK-RYUDHWBXSA-N -1 1 380.449 1.328 20 0 GDADMM 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CCS(=O)(=O)NCCN(C)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000833666104 605213101 /nfs/dbraw/zinc/21/31/01/605213101.db2.gz TUIGTYYMLBZNST-GFCCVEGCSA-N -1 1 379.276 1.446 20 0 GDADMM CC1CCC2(CC1)OC[C@@H](CNC(=O)N1CCN(CCC(=O)[O-])C[C@H]1C)O2 ZINC000833610334 605214694 /nfs/dbraw/zinc/21/46/94/605214694.db2.gz KUVOYMPPLVAPNQ-BWRBCVJASA-N -1 1 383.489 1.499 20 0 GDADMM COC(=O)c1cc(NC(=O)[C@@H](C)N2CCC(CCCO)CC2)cc(C(=O)[O-])c1 ZINC000833712877 605226876 /nfs/dbraw/zinc/22/68/76/605226876.db2.gz JRERYTBYAXEUSD-CYBMUJFWSA-N -1 1 392.452 1.983 20 0 GDADMM C[C@@H]1CN(C(=O)[C@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)CCN1CCC(=O)[O-] ZINC000833618782 605274944 /nfs/dbraw/zinc/27/49/44/605274944.db2.gz QRKUASFEZIMXTA-ILXRZTDVSA-N -1 1 383.489 1.687 20 0 GDADMM C[C@@H]1CN(C(=O)C2=NN(Cc3ccccc3)C(=O)CC2)CCN1CCC(=O)[O-] ZINC000833619652 605275175 /nfs/dbraw/zinc/27/51/75/605275175.db2.gz UOWCUFXWFMLSQH-OAHLLOKOSA-N -1 1 386.452 1.172 20 0 GDADMM C[C@H]1CN(C(=O)[C@@H]2CSCN2C(=O)C2CCCC2)CCN1CCC(=O)[O-] ZINC000833618830 605276832 /nfs/dbraw/zinc/27/68/32/605276832.db2.gz RDEFQNFRVWJGTA-ZFWWWQNUSA-N -1 1 383.514 1.086 20 0 GDADMM C[C@@H]1CN(C(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)CCN1CCC(=O)[O-] ZINC000833618637 605276916 /nfs/dbraw/zinc/27/69/16/605276916.db2.gz PVWNPXWYKKJVDF-BZNIZROVSA-N -1 1 381.379 1.465 20 0 GDADMM C[C@@H]1CN(C(=O)[C@H]2CCCCN2C(=O)c2ccco2)CCN1CCC(=O)[O-] ZINC000833617569 605278301 /nfs/dbraw/zinc/27/83/01/605278301.db2.gz DZTOMEUFMXVSTJ-HUUCEWRRSA-N -1 1 377.441 1.282 20 0 GDADMM Cn1cncc1[C@@H]1CC(=O)N(CN2CCC[C@@H]([C@H]3CCCN3C(=O)[O-])C2)C1 ZINC000833958121 605318699 /nfs/dbraw/zinc/31/86/99/605318699.db2.gz BBYASAZZUMBJLF-BZUAXINKSA-N -1 1 375.473 1.548 20 0 GDADMM CN1C2(CCC2)COC[C@]1(CO)CNC(=O)c1ccc(Br)cc1[O-] ZINC000529751823 649956850 /nfs/dbraw/zinc/95/68/50/649956850.db2.gz JWEDPFBCUVETRM-QGZVFWFLSA-N -1 1 399.285 1.500 20 0 GDADMM O=C([O-])N1CC[C@H](N(C(=O)CCN2CCN(c3ccccn3)CC2)C2CC2)C1 ZINC000831923115 605463576 /nfs/dbraw/zinc/46/35/76/605463576.db2.gz XGOSSIXQROUALD-KRWDZBQOSA-N -1 1 387.484 1.337 20 0 GDADMM C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)NCc1cccnc1N1CCN(C)CC1 ZINC000825824187 605518033 /nfs/dbraw/zinc/51/80/33/605518033.db2.gz QKJVKNOWWUOEBH-HOCLYGCPSA-N -1 1 390.488 1.164 20 0 GDADMM C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)NCc1cccnc1N1CCN(C)CC1 ZINC000825824185 605518064 /nfs/dbraw/zinc/51/80/64/605518064.db2.gz QKJVKNOWWUOEBH-GDBMZVCRSA-N -1 1 390.488 1.164 20 0 GDADMM O=C([O-])NCc1ccc(C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)o1 ZINC000832691986 605522863 /nfs/dbraw/zinc/52/28/63/605522863.db2.gz UNKBJZGCNPPAJL-WBVHZDCISA-N -1 1 387.436 1.660 20 0 GDADMM O=C([O-])Nc1cccc(CN2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c1 ZINC000834267720 605730784 /nfs/dbraw/zinc/73/07/84/605730784.db2.gz ABOAIMUKTSPIGH-INIZCTEOSA-N -1 1 383.470 1.403 20 0 GDADMM Cc1nc(S(=O)(=O)NC[C@@H](NC(=O)[O-])C(C)C)sc1Br ZINC000833915702 605783811 /nfs/dbraw/zinc/78/38/11/605783811.db2.gz JPQLUEZVHUCLRO-SSDOTTSWSA-N -1 1 386.293 1.785 20 0 GDADMM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCC(CC(=O)N(C)C)CC1 ZINC000833403593 605852425 /nfs/dbraw/zinc/85/24/25/605852425.db2.gz AQVFNKJMLGMODU-AWEZNQCLSA-N -1 1 375.469 1.580 20 0 GDADMM C[C@H]1C[C@H](CNC(=O)[O-])C[N@H+]1CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000833828002 605879383 /nfs/dbraw/zinc/87/93/83/605879383.db2.gz COVXQGQLNLLYDK-WDEREUQCSA-N -1 1 378.385 1.041 20 0 GDADMM C[C@H]1C[C@H](CNC(=O)[O-])CN1CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000833828002 605879385 /nfs/dbraw/zinc/87/93/85/605879385.db2.gz COVXQGQLNLLYDK-WDEREUQCSA-N -1 1 378.385 1.041 20 0 GDADMM O=C([O-])N[C@@H]1CCC[C@@H]1NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000834177197 605981421 /nfs/dbraw/zinc/98/14/21/605981421.db2.gz VPPNOKFJXGBTEU-QWHCGFSZSA-N -1 1 389.499 1.047 20 0 GDADMM Cc1cccc([C@@H]2CCCCN2c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)c1C ZINC000822299828 606061286 /nfs/dbraw/zinc/06/12/86/606061286.db2.gz WBFFXOHEQHJBTG-HNNXBMFYSA-N -1 1 395.467 1.613 20 0 GDADMM CO[C@@H](C)c1noc(CN2CCCN(c3cccc(-c4nn[n-]n4)n3)CC2)n1 ZINC000821675136 606102946 /nfs/dbraw/zinc/10/29/46/606102946.db2.gz DRMLTEVGDAVXEK-LBPRGKRZSA-N -1 1 385.432 1.064 20 0 GDADMM COc1ncc(C)cc1NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821911147 606105159 /nfs/dbraw/zinc/10/51/59/606105159.db2.gz NVSJDWGHSYTOHB-UHFFFAOYSA-N -1 1 383.412 1.867 20 0 GDADMM O=C(O[C@@H]1CCN(c2cccc(Cl)c2)C1=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000823392217 606131940 /nfs/dbraw/zinc/13/19/40/606131940.db2.gz NRRXCUGDMLLDSV-CQSZACIVSA-N -1 1 384.783 1.877 20 0 GDADMM O=C(O[C@@H]1CCN(c2cccc(Cl)c2)C1=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000823392217 606131942 /nfs/dbraw/zinc/13/19/42/606131942.db2.gz NRRXCUGDMLLDSV-CQSZACIVSA-N -1 1 384.783 1.877 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000820512485 606138849 /nfs/dbraw/zinc/13/88/49/606138849.db2.gz LMBQNDOQEKAJFN-QMMMGPOBSA-N -1 1 387.377 1.841 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000820512485 606138850 /nfs/dbraw/zinc/13/88/50/606138850.db2.gz LMBQNDOQEKAJFN-QMMMGPOBSA-N -1 1 387.377 1.841 20 0 GDADMM COC(=O)c1ccsc1N1CC[C@@H](Nc2cccc(-c3nnn[n-]3)n2)C1=O ZINC000821671046 606139324 /nfs/dbraw/zinc/13/93/24/606139324.db2.gz FQFIQNGIRHTNRD-LLVKDONJSA-N -1 1 385.409 1.327 20 0 GDADMM COC(=O)c1ccsc1N1CC[C@@H](Nc2cccc(-c3nn[n-]n3)n2)C1=O ZINC000821671046 606139325 /nfs/dbraw/zinc/13/93/25/606139325.db2.gz FQFIQNGIRHTNRD-LLVKDONJSA-N -1 1 385.409 1.327 20 0 GDADMM COc1ccc(NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)c(OC)c1 ZINC000821831650 606139412 /nfs/dbraw/zinc/13/94/12/606139412.db2.gz HKDXNJBAFOHTMT-UHFFFAOYSA-N -1 1 389.393 1.741 20 0 GDADMM COc1ccc(NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)c(OC)c1 ZINC000821831650 606139414 /nfs/dbraw/zinc/13/94/14/606139414.db2.gz HKDXNJBAFOHTMT-UHFFFAOYSA-N -1 1 389.393 1.741 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)N[C@H]1CCOc2ccccc21 ZINC000823026765 606139646 /nfs/dbraw/zinc/13/96/46/606139646.db2.gz FYUWUNWZLPPDFL-NSHDSACASA-N -1 1 385.405 1.725 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)N[C@H]1CCOc2ccccc21 ZINC000823026765 606139647 /nfs/dbraw/zinc/13/96/47/606139647.db2.gz FYUWUNWZLPPDFL-NSHDSACASA-N -1 1 385.405 1.725 20 0 GDADMM CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC000821014543 606156891 /nfs/dbraw/zinc/15/68/91/606156891.db2.gz IPVAQCKJVBTNQI-RYUDHWBXSA-N -1 1 389.464 1.149 20 0 GDADMM CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC000821014543 606156893 /nfs/dbraw/zinc/15/68/93/606156893.db2.gz IPVAQCKJVBTNQI-RYUDHWBXSA-N -1 1 389.464 1.149 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H](Cn2cccn2)c2ccccc2)n1 ZINC000822609429 606158916 /nfs/dbraw/zinc/15/89/16/606158916.db2.gz NXXNNNPDXKCGSK-CQSZACIVSA-N -1 1 378.400 1.360 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H](Cn2cccn2)c2ccccc2)n1 ZINC000822609429 606158918 /nfs/dbraw/zinc/15/89/18/606158918.db2.gz NXXNNNPDXKCGSK-CQSZACIVSA-N -1 1 378.400 1.360 20 0 GDADMM CN(C(=O)Nc1nn(C)cc1-c1nnn[n-]1)[C@H]1CCCN(c2ccccc2)C1 ZINC000821571993 606167049 /nfs/dbraw/zinc/16/70/49/606167049.db2.gz NSKOUEGBRPIWPI-AWEZNQCLSA-N -1 1 381.444 1.733 20 0 GDADMM CN(C(=O)Nc1nn(C)cc1-c1nn[n-]n1)[C@H]1CCCN(c2ccccc2)C1 ZINC000821571993 606167050 /nfs/dbraw/zinc/16/70/50/606167050.db2.gz NSKOUEGBRPIWPI-AWEZNQCLSA-N -1 1 381.444 1.733 20 0 GDADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1cccc(-n2ccnc2)c1 ZINC000820379579 606169359 /nfs/dbraw/zinc/16/93/59/606169359.db2.gz DOHXDWDXKSLKHY-LLVKDONJSA-N -1 1 378.400 1.669 20 0 GDADMM O=C(CCc1nc(-c2ccncc2)no1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822987226 606196112 /nfs/dbraw/zinc/19/61/12/606196112.db2.gz UDCFWLHRBWVOBA-UHFFFAOYSA-N -1 1 378.352 1.589 20 0 GDADMM O=C(CCCNC(=O)c1ccc(F)cc1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822958675 606197395 /nfs/dbraw/zinc/19/73/95/606197395.db2.gz AJSSYENUFUVRTC-UHFFFAOYSA-N -1 1 384.371 1.860 20 0 GDADMM O=C(CC[C@H]1CCOC1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000822949972 606279382 /nfs/dbraw/zinc/27/93/82/606279382.db2.gz AMAKVDSNTPABQI-LBPRGKRZSA-N -1 1 387.444 1.197 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)Nc2cccc([S@](C)=O)c2)cc1-c1nn[n-]n1 ZINC000821976407 606286010 /nfs/dbraw/zinc/28/60/10/606286010.db2.gz APZLOJXPCNWZLI-SANMLTNESA-N -1 1 390.450 1.679 20 0 GDADMM CCCCCOC1CN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C1 ZINC000821055801 606291120 /nfs/dbraw/zinc/29/11/20/606291120.db2.gz GUAROOIOYRESHC-UHFFFAOYSA-N -1 1 378.458 1.720 20 0 GDADMM O=C(Cn1nc(-c2ccccc2)oc1=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823136318 606294309 /nfs/dbraw/zinc/29/43/09/606294309.db2.gz VLCWJSAXRRFHGN-UHFFFAOYSA-N -1 1 379.336 1.028 20 0 GDADMM O=C(CCc1nc(-c2ccccn2)no1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822983753 606296486 /nfs/dbraw/zinc/29/64/86/606296486.db2.gz TYDDFQJOQSWESR-UHFFFAOYSA-N -1 1 378.352 1.589 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cnn2c1[nH]c(=O)c1ccccc12 ZINC000823294857 606296977 /nfs/dbraw/zinc/29/69/77/606296977.db2.gz UYANAAKFWKMXDU-UHFFFAOYSA-N -1 1 388.347 1.314 20 0 GDADMM COCCCOC1CN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)C1 ZINC000821687924 606299478 /nfs/dbraw/zinc/29/94/78/606299478.db2.gz VZHTYGNHJBCZDW-UHFFFAOYSA-N -1 1 386.412 1.436 20 0 GDADMM COCCCOC1CN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)C1 ZINC000821687924 606299480 /nfs/dbraw/zinc/29/94/80/606299480.db2.gz VZHTYGNHJBCZDW-UHFFFAOYSA-N -1 1 386.412 1.436 20 0 GDADMM CC[C@](C)(CC(=O)OC)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000820847930 606326346 /nfs/dbraw/zinc/32/63/46/606326346.db2.gz MZOANNHYBMOSOQ-GOSISDBHSA-N -1 1 390.444 1.365 20 0 GDADMM Cc1nc(C[N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)no1 ZINC000822444796 606343726 /nfs/dbraw/zinc/34/37/26/606343726.db2.gz ZRUDAFXGZIQJSO-UHFFFAOYSA-N -1 1 389.319 1.055 20 0 GDADMM C[S@@](=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000821940988 606437098 /nfs/dbraw/zinc/43/70/98/606437098.db2.gz AZDXGCVZZFHEIX-RUZDIDTESA-N -1 1 395.441 1.222 20 0 GDADMM Nc1n[nH]c(CCCNc2nc(-c3cccc(Cl)c3)no2)c1-c1nn[n-]n1 ZINC000822899832 606442523 /nfs/dbraw/zinc/44/25/23/606442523.db2.gz VEXAHPKJGPLHFM-UHFFFAOYSA-N -1 1 386.807 1.920 20 0 GDADMM CCO[C@H]1C[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C12CCCCC2 ZINC000821360320 606484378 /nfs/dbraw/zinc/48/43/78/606484378.db2.gz QRAICRCMHAUBKD-CABCVRRESA-N -1 1 392.485 1.668 20 0 GDADMM CCO[C@H]1C[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C12CCCCC2 ZINC000821360320 606484380 /nfs/dbraw/zinc/48/43/80/606484380.db2.gz QRAICRCMHAUBKD-CABCVRRESA-N -1 1 392.485 1.668 20 0 GDADMM CCO[C@H]1C[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1(CC)CC ZINC000821357311 606484566 /nfs/dbraw/zinc/48/45/66/606484566.db2.gz BZEVCEWWEGOQLL-KGLIPLIRSA-N -1 1 380.474 1.524 20 0 GDADMM CCO[C@H]1C[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1(CC)CC ZINC000821357311 606484568 /nfs/dbraw/zinc/48/45/68/606484568.db2.gz BZEVCEWWEGOQLL-KGLIPLIRSA-N -1 1 380.474 1.524 20 0 GDADMM O=C(CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1)Nc1ccccc1 ZINC000822997132 606521667 /nfs/dbraw/zinc/52/16/67/606521667.db2.gz NSFUCWIURASHAH-UHFFFAOYSA-N -1 1 397.464 1.325 20 0 GDADMM O=C(CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1)Nc1ccccc1 ZINC000822997132 606521668 /nfs/dbraw/zinc/52/16/68/606521668.db2.gz NSFUCWIURASHAH-UHFFFAOYSA-N -1 1 397.464 1.325 20 0 GDADMM Cc1c(NC(=O)c2ccc(-c3nnn[n-]3)s2)cccc1C(=O)N1CCOCC1 ZINC000822109485 606531505 /nfs/dbraw/zinc/53/15/05/606531505.db2.gz RIYKWCXJLXVZIC-UHFFFAOYSA-N -1 1 398.448 1.961 20 0 GDADMM Cc1c(NC(=O)c2ccc(-c3nn[n-]n3)s2)cccc1C(=O)N1CCOCC1 ZINC000822109485 606531507 /nfs/dbraw/zinc/53/15/07/606531507.db2.gz RIYKWCXJLXVZIC-UHFFFAOYSA-N -1 1 398.448 1.961 20 0 GDADMM CC(C)[C@H](C)NC(=O)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000820017165 606542481 /nfs/dbraw/zinc/54/24/81/606542481.db2.gz UFBXEPVHHXLKDR-NSHDSACASA-N -1 1 376.486 1.941 20 0 GDADMM CC(C)[C@H](C)NC(=O)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000820017165 606542483 /nfs/dbraw/zinc/54/24/83/606542483.db2.gz UFBXEPVHHXLKDR-NSHDSACASA-N -1 1 376.486 1.941 20 0 GDADMM CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821637560 606547223 /nfs/dbraw/zinc/54/72/23/606547223.db2.gz LEOMWIPAKMHVKC-SECBINFHSA-N -1 1 392.466 1.327 20 0 GDADMM CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821637560 606547225 /nfs/dbraw/zinc/54/72/25/606547225.db2.gz LEOMWIPAKMHVKC-SECBINFHSA-N -1 1 392.466 1.327 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000822535231 606548980 /nfs/dbraw/zinc/54/89/80/606548980.db2.gz KCXUXBSQPMHNRS-NSHDSACASA-N -1 1 381.396 1.052 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000822535231 606548982 /nfs/dbraw/zinc/54/89/82/606548982.db2.gz KCXUXBSQPMHNRS-NSHDSACASA-N -1 1 381.396 1.052 20 0 GDADMM CCOCCCN(C[C@@H](C)C(=O)OC)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821378693 606563039 /nfs/dbraw/zinc/56/30/39/606563039.db2.gz SGQIKNVCCFRCTL-LLVKDONJSA-N -1 1 381.458 1.606 20 0 GDADMM CCOCCCN(C[C@@H](C)C(=O)OC)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821378693 606563040 /nfs/dbraw/zinc/56/30/40/606563040.db2.gz SGQIKNVCCFRCTL-LLVKDONJSA-N -1 1 381.458 1.606 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CC[C@H](OCCCc3ccccc3)C2)n1 ZINC000822609569 606580035 /nfs/dbraw/zinc/58/00/35/606580035.db2.gz QIVPNVLOTNVOGQ-HNNXBMFYSA-N -1 1 396.455 1.856 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CC[C@H](OCCCc3ccccc3)C2)n1 ZINC000822609569 606580037 /nfs/dbraw/zinc/58/00/37/606580037.db2.gz QIVPNVLOTNVOGQ-HNNXBMFYSA-N -1 1 396.455 1.856 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H](c2ccccc2)c2ccccn2)n1 ZINC000822609514 606597332 /nfs/dbraw/zinc/59/73/32/606597332.db2.gz OWRBCIUAIUDLEW-OAHLLOKOSA-N -1 1 375.396 1.906 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H](c2ccccc2)c2ccccn2)n1 ZINC000822609514 606597334 /nfs/dbraw/zinc/59/73/34/606597334.db2.gz OWRBCIUAIUDLEW-OAHLLOKOSA-N -1 1 375.396 1.906 20 0 GDADMM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)cc2-c2nn[nH]n2)cc1O ZINC000823392388 606624220 /nfs/dbraw/zinc/62/42/20/606624220.db2.gz PEYHFHDOSBATBJ-UHFFFAOYSA-N -1 1 395.784 1.725 20 0 GDADMM CCC[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821020567 606648848 /nfs/dbraw/zinc/64/88/48/606648848.db2.gz FEWSJSLDGDGSEK-LBPRGKRZSA-N -1 1 376.417 1.998 20 0 GDADMM CCC[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821020567 606648849 /nfs/dbraw/zinc/64/88/49/606648849.db2.gz FEWSJSLDGDGSEK-LBPRGKRZSA-N -1 1 376.417 1.998 20 0 GDADMM Cc1nn(-c2ccc(F)cc2)nc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822487040 606651936 /nfs/dbraw/zinc/65/19/36/606651936.db2.gz YWVSFCKWQRNOCI-UHFFFAOYSA-N -1 1 380.343 1.647 20 0 GDADMM Cc1nn(-c2ccc(F)cc2)nc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822487040 606651937 /nfs/dbraw/zinc/65/19/37/606651937.db2.gz YWVSFCKWQRNOCI-UHFFFAOYSA-N -1 1 380.343 1.647 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)O[C@@H](C)C1CCOCC1 ZINC000822010204 606654374 /nfs/dbraw/zinc/65/43/74/606654374.db2.gz RZAUUSSYUWMDIA-LBPRGKRZSA-N -1 1 375.429 1.875 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000822540643 606654650 /nfs/dbraw/zinc/65/46/50/606654650.db2.gz DOTXYDPWHWKDEX-GFCCVEGCSA-N -1 1 396.407 1.727 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000822540643 606654651 /nfs/dbraw/zinc/65/46/51/606654651.db2.gz DOTXYDPWHWKDEX-GFCCVEGCSA-N -1 1 396.407 1.727 20 0 GDADMM CCO[C@@H](CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)C(C)C ZINC000821351010 606738013 /nfs/dbraw/zinc/73/80/13/606738013.db2.gz IRRRXCYVHCULAL-KBPBESRZSA-N -1 1 388.476 1.145 20 0 GDADMM CCO[C@@H](CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)C(C)C ZINC000821351010 606738015 /nfs/dbraw/zinc/73/80/15/606738015.db2.gz IRRRXCYVHCULAL-KBPBESRZSA-N -1 1 388.476 1.145 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCO[C@H](c2cccs2)C1 ZINC000823601089 606738985 /nfs/dbraw/zinc/73/89/85/606738985.db2.gz QEOQLDGQTXBSLF-LBPRGKRZSA-N -1 1 378.439 1.085 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCO[C@H](c2cccs2)C1 ZINC000823601089 606738987 /nfs/dbraw/zinc/73/89/87/606738987.db2.gz QEOQLDGQTXBSLF-LBPRGKRZSA-N -1 1 378.439 1.085 20 0 GDADMM COc1ccccc1NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821896729 606767676 /nfs/dbraw/zinc/76/76/76/606767676.db2.gz ADAZYHSFEQKRIS-LBPRGKRZSA-N -1 1 395.427 1.408 20 0 GDADMM COc1ccccc1NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821896729 606767678 /nfs/dbraw/zinc/76/76/78/606767678.db2.gz ADAZYHSFEQKRIS-LBPRGKRZSA-N -1 1 395.427 1.408 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)Nc1ccc(F)cc1 ZINC000820789072 606768129 /nfs/dbraw/zinc/76/81/29/606768129.db2.gz VFOUJTLFOSIHAJ-NSHDSACASA-N -1 1 383.391 1.538 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)Nc1ccc(F)cc1 ZINC000820789072 606768131 /nfs/dbraw/zinc/76/81/31/606768131.db2.gz VFOUJTLFOSIHAJ-NSHDSACASA-N -1 1 383.391 1.538 20 0 GDADMM Cc1nn(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c(=S)s1 ZINC000822500916 606770097 /nfs/dbraw/zinc/77/00/97/606770097.db2.gz MHERFCGGVRUMBV-SECBINFHSA-N -1 1 390.502 1.121 20 0 GDADMM Cc1nn(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c(=S)s1 ZINC000822500916 606770098 /nfs/dbraw/zinc/77/00/98/606770098.db2.gz MHERFCGGVRUMBV-SECBINFHSA-N -1 1 390.502 1.121 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1ncnc2sccc21 ZINC000820804297 606807583 /nfs/dbraw/zinc/80/75/83/606807583.db2.gz PUQHOZCQXVROTK-SNVBAGLBSA-N -1 1 380.441 1.377 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1ncnc2sccc21 ZINC000820804297 606807585 /nfs/dbraw/zinc/80/75/85/606807585.db2.gz PUQHOZCQXVROTK-SNVBAGLBSA-N -1 1 380.441 1.377 20 0 GDADMM CCCc1ncc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)s1 ZINC000821142732 606818704 /nfs/dbraw/zinc/81/87/04/606818704.db2.gz NCTKVAIPLODGKG-NSHDSACASA-N -1 1 399.484 1.417 20 0 GDADMM CCCc1ncc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)s1 ZINC000821142732 606818706 /nfs/dbraw/zinc/81/87/06/606818706.db2.gz NCTKVAIPLODGKG-NSHDSACASA-N -1 1 399.484 1.417 20 0 GDADMM C[C@@H]1CC[C@H](CCC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)O1 ZINC000820683481 606819650 /nfs/dbraw/zinc/81/96/50/606819650.db2.gz BVMZPYSLCIILOI-MGPQQGTHSA-N -1 1 386.460 1.042 20 0 GDADMM C[C@@H]1CC[C@H](CCC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)O1 ZINC000820683481 606819651 /nfs/dbraw/zinc/81/96/51/606819651.db2.gz BVMZPYSLCIILOI-MGPQQGTHSA-N -1 1 386.460 1.042 20 0 GDADMM Cc1ccc(C)c(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1 ZINC000822230432 606820626 /nfs/dbraw/zinc/82/06/26/606820626.db2.gz GMNDHNIFDUAXHA-CQSZACIVSA-N -1 1 378.440 1.624 20 0 GDADMM Cc1ccc(C)c(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1 ZINC000822230432 606820627 /nfs/dbraw/zinc/82/06/27/606820627.db2.gz GMNDHNIFDUAXHA-CQSZACIVSA-N -1 1 378.440 1.624 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)Cc1ccccc1F ZINC000820774465 606821411 /nfs/dbraw/zinc/82/14/11/606821411.db2.gz DDZBIPKZSQGCME-GFCCVEGCSA-N -1 1 382.403 1.076 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)Cc1ccccc1F ZINC000820774465 606821413 /nfs/dbraw/zinc/82/14/13/606821413.db2.gz DDZBIPKZSQGCME-GFCCVEGCSA-N -1 1 382.403 1.076 20 0 GDADMM CCc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)s1 ZINC000821476909 606823764 /nfs/dbraw/zinc/82/37/64/606823764.db2.gz UPFNMEGHXAHWDD-NSHDSACASA-N -1 1 384.469 1.632 20 0 GDADMM CCc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)s1 ZINC000821476909 606823766 /nfs/dbraw/zinc/82/37/66/606823766.db2.gz UPFNMEGHXAHWDD-NSHDSACASA-N -1 1 384.469 1.632 20 0 GDADMM CSc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cc1 ZINC000821978960 606825258 /nfs/dbraw/zinc/82/52/58/606825258.db2.gz NVVOIOFAOYRFDX-LBPRGKRZSA-N -1 1 396.480 1.730 20 0 GDADMM CSc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cc1 ZINC000821978960 606825259 /nfs/dbraw/zinc/82/52/59/606825259.db2.gz NVVOIOFAOYRFDX-LBPRGKRZSA-N -1 1 396.480 1.730 20 0 GDADMM Cc1ccc(F)c(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1 ZINC000822239693 606825577 /nfs/dbraw/zinc/82/55/77/606825577.db2.gz ACYGUXUWKGLIRQ-GFCCVEGCSA-N -1 1 382.403 1.455 20 0 GDADMM Cc1ccc(F)c(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1 ZINC000822239693 606825579 /nfs/dbraw/zinc/82/55/79/606825579.db2.gz ACYGUXUWKGLIRQ-GFCCVEGCSA-N -1 1 382.403 1.455 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCc2nnc(-c3ccccc3)o2)n1 ZINC000822620493 606830499 /nfs/dbraw/zinc/83/04/99/606830499.db2.gz TVUZWYLUDPCGOR-UHFFFAOYSA-N -1 1 380.372 1.014 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCc2nnc(-c3ccccc3)o2)n1 ZINC000822620493 606830500 /nfs/dbraw/zinc/83/05/00/606830500.db2.gz TVUZWYLUDPCGOR-UHFFFAOYSA-N -1 1 380.372 1.014 20 0 GDADMM CCc1ccccc1NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821497419 606833394 /nfs/dbraw/zinc/83/33/94/606833394.db2.gz SAECUSSEJZKNGB-ZDUSSCGKSA-N -1 1 393.455 1.962 20 0 GDADMM CCc1ccccc1NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821497419 606833395 /nfs/dbraw/zinc/83/33/95/606833395.db2.gz SAECUSSEJZKNGB-ZDUSSCGKSA-N -1 1 393.455 1.962 20 0 GDADMM COC(=O)[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)C(C)(C)C ZINC000736939196 606833697 /nfs/dbraw/zinc/83/36/97/606833697.db2.gz HKWMYRAKCDVKRM-SECBINFHSA-N -1 1 380.430 1.007 20 0 GDADMM Cc1cc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)ccc1F ZINC000822208531 606835416 /nfs/dbraw/zinc/83/54/16/606835416.db2.gz WUEHHQXNLBTOIQ-GFCCVEGCSA-N -1 1 397.418 1.847 20 0 GDADMM Cc1cc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)ccc1F ZINC000822208531 606835417 /nfs/dbraw/zinc/83/54/17/606835417.db2.gz WUEHHQXNLBTOIQ-GFCCVEGCSA-N -1 1 397.418 1.847 20 0 GDADMM CCc1nc(CN(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cs1 ZINC000821510356 606842082 /nfs/dbraw/zinc/84/20/82/606842082.db2.gz ZMXMPFLLWLBDJT-UHFFFAOYSA-N -1 1 382.446 1.845 20 0 GDADMM COCCN(Cc1ccccn1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821690456 606842800 /nfs/dbraw/zinc/84/28/00/606842800.db2.gz MMDZUILIPJYVMJ-UHFFFAOYSA-N -1 1 392.416 1.238 20 0 GDADMM Cc1cc(-c2nn[nH]n2)ccc1Oc1ccc(C(=O)NN2CC(=O)[N-]C2=O)cc1 ZINC000822144556 606849154 /nfs/dbraw/zinc/84/91/54/606849154.db2.gz MROIXAQPEXEWPE-UHFFFAOYSA-N -1 1 393.363 1.164 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820211303 606854968 /nfs/dbraw/zinc/85/49/68/606854968.db2.gz HLZZYTMWJDJTAK-NSHDSACASA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820211303 606854969 /nfs/dbraw/zinc/85/49/69/606854969.db2.gz HLZZYTMWJDJTAK-NSHDSACASA-N -1 1 383.416 1.119 20 0 GDADMM Cc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c(O)c1 ZINC000822226479 606855580 /nfs/dbraw/zinc/85/55/80/606855580.db2.gz UMDGRJQHOKXKQC-GFCCVEGCSA-N -1 1 380.412 1.022 20 0 GDADMM Cc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c(O)c1 ZINC000822226479 606855582 /nfs/dbraw/zinc/85/55/82/606855582.db2.gz UMDGRJQHOKXKQC-GFCCVEGCSA-N -1 1 380.412 1.022 20 0 GDADMM CCO[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C12CCC2 ZINC000821357152 606874691 /nfs/dbraw/zinc/87/46/91/606874691.db2.gz AQSBRVDYNYYXDP-CABCVRRESA-N -1 1 395.460 1.974 20 0 GDADMM CC(C)COc1ccc([C@H](C)Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1 ZINC000820102706 606948364 /nfs/dbraw/zinc/94/83/64/606948364.db2.gz HPTOAJWICFGBIR-LBPRGKRZSA-N -1 1 399.455 1.472 20 0 GDADMM CC(=O)N1CC[C@@H](COC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)C1 ZINC000819789560 606952802 /nfs/dbraw/zinc/95/28/02/606952802.db2.gz UEUCLLIRXHUDJI-CYBMUJFWSA-N -1 1 384.396 1.584 20 0 GDADMM CC(=O)N1CC[C@@H](COC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)C1 ZINC000819789560 606952803 /nfs/dbraw/zinc/95/28/03/606952803.db2.gz UEUCLLIRXHUDJI-CYBMUJFWSA-N -1 1 384.396 1.584 20 0 GDADMM CC[C@@](C)(CCCNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)C1OCCO1 ZINC000820853453 606955947 /nfs/dbraw/zinc/95/59/47/606955947.db2.gz MVKMBVVLHNWESC-INIZCTEOSA-N -1 1 378.437 1.291 20 0 GDADMM CC[C@@](C)(CCCNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)C1OCCO1 ZINC000820853453 606955949 /nfs/dbraw/zinc/95/59/49/606955949.db2.gz MVKMBVVLHNWESC-INIZCTEOSA-N -1 1 378.437 1.291 20 0 GDADMM C[C@@H]1[C@H](C)OCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000820820253 607004839 /nfs/dbraw/zinc/00/48/39/607004839.db2.gz NEVXFHRQXKNZKT-BDAKNGLRSA-N -1 1 391.375 1.683 20 0 GDADMM COc1ccc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)c(C)c1 ZINC000821818298 607005441 /nfs/dbraw/zinc/00/54/41/607005441.db2.gz OAULZWJQDCQESC-UHFFFAOYSA-N -1 1 395.391 1.940 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000823600629 607006730 /nfs/dbraw/zinc/00/67/30/607006730.db2.gz JGSWVCFPNKZCRA-ZBEGNZNMSA-N -1 1 397.888 1.836 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N(C)CCC(=O)OC(C)(C)C)cc1-c1nn[n-]n1 ZINC000821969693 607020583 /nfs/dbraw/zinc/02/05/83/607020583.db2.gz DIJSHMCDWHDZPB-UHFFFAOYSA-N -1 1 394.457 1.493 20 0 GDADMM C[C@]1([C@H]2CCCN(c3cc(-c4nnn[n-]4)nc4ccccc43)C2)NC(=O)NC1=O ZINC000820613058 607029083 /nfs/dbraw/zinc/02/90/83/607029083.db2.gz REMAMRWCMPMVCE-JEOXALJRSA-N -1 1 392.423 1.229 20 0 GDADMM C[C@]1([C@H]2CCCN(c3cc(-c4nn[n-]n4)nc4ccccc43)C2)NC(=O)NC1=O ZINC000820613058 607029085 /nfs/dbraw/zinc/02/90/85/607029085.db2.gz REMAMRWCMPMVCE-JEOXALJRSA-N -1 1 392.423 1.229 20 0 GDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCc1cc(F)ccc1-c1nn[nH]n1 ZINC000822458110 607082527 /nfs/dbraw/zinc/08/25/27/607082527.db2.gz CTOFYLKTILLMIR-UHFFFAOYSA-N -1 1 397.370 1.657 20 0 GDADMM CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000819908214 607103922 /nfs/dbraw/zinc/10/39/22/607103922.db2.gz YCKCZXGOUIYMJI-MRVPVSSYSA-N -1 1 381.487 1.599 20 0 GDADMM CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000819908214 607103923 /nfs/dbraw/zinc/10/39/23/607103923.db2.gz YCKCZXGOUIYMJI-MRVPVSSYSA-N -1 1 381.487 1.599 20 0 GDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@H]1CCCN1c1ncnc2sccc21 ZINC000823379736 607105362 /nfs/dbraw/zinc/10/53/62/607105362.db2.gz GPMYCAMFHNPHGE-SECBINFHSA-N -1 1 399.465 1.935 20 0 GDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@H]1CCCN1c1ncnc2sccc21 ZINC000823379736 607105364 /nfs/dbraw/zinc/10/53/64/607105364.db2.gz GPMYCAMFHNPHGE-SECBINFHSA-N -1 1 399.465 1.935 20 0 GDADMM CS(=O)(=O)Nc1cc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)ccc1Cl ZINC000821937752 607105939 /nfs/dbraw/zinc/10/59/39/607105939.db2.gz QHCRSJDMHWZUHO-UHFFFAOYSA-N -1 1 399.845 1.600 20 0 GDADMM CS(=O)(=O)Nc1cc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)ccc1Cl ZINC000821937752 607105941 /nfs/dbraw/zinc/10/59/41/607105941.db2.gz QHCRSJDMHWZUHO-UHFFFAOYSA-N -1 1 399.845 1.600 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)Nc2ncc(-c3nnn[n-]3)s2)C1 ZINC000819933102 607107717 /nfs/dbraw/zinc/10/77/17/607107717.db2.gz FXGJUPHXJMJWGO-SECBINFHSA-N -1 1 379.446 1.909 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)Nc2ncc(-c3nn[n-]n3)s2)C1 ZINC000819933102 607107719 /nfs/dbraw/zinc/10/77/19/607107719.db2.gz FXGJUPHXJMJWGO-SECBINFHSA-N -1 1 379.446 1.909 20 0 GDADMM CNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ncc(-c3nnn[n-]3)s2)c1 ZINC000821637463 607108460 /nfs/dbraw/zinc/10/84/60/607108460.db2.gz GZKRGAHETRGZBM-UHFFFAOYSA-N -1 1 399.845 1.137 20 0 GDADMM CNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ncc(-c3nn[n-]n3)s2)c1 ZINC000821637463 607108462 /nfs/dbraw/zinc/10/84/62/607108462.db2.gz GZKRGAHETRGZBM-UHFFFAOYSA-N -1 1 399.845 1.137 20 0 GDADMM CC(C)OC(=O)[C@@H](C)N(C)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000820141839 607128032 /nfs/dbraw/zinc/12/80/32/607128032.db2.gz BBGXZRQMSOUVOF-SECBINFHSA-N -1 1 387.849 1.481 20 0 GDADMM CC(C)OC(=O)[C@@H](C)N(C)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000820141839 607128033 /nfs/dbraw/zinc/12/80/33/607128033.db2.gz BBGXZRQMSOUVOF-SECBINFHSA-N -1 1 387.849 1.481 20 0 GDADMM CC[C@@H](C[C@H](C)CO)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000820881955 607186550 /nfs/dbraw/zinc/18/65/50/607186550.db2.gz GIFVOLQGNXVHNV-GWCFXTLKSA-N -1 1 376.461 1.430 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N(Cc1cccs1)Cc1cccs1 ZINC000823123062 607207885 /nfs/dbraw/zinc/20/78/85/607207885.db2.gz MGQIRYORFSIZHN-UHFFFAOYSA-N -1 1 386.466 1.810 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCCc2cc(OC(F)(F)F)ccc21 ZINC000823125691 607209325 /nfs/dbraw/zinc/20/93/25/607209325.db2.gz BAJCUUHNEMLZFI-UHFFFAOYSA-N -1 1 394.317 1.336 20 0 GDADMM CCOc1ccc(C(F)(F)F)cc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821418110 607210055 /nfs/dbraw/zinc/21/00/55/607210055.db2.gz WFYGEOBQGISFJS-UHFFFAOYSA-N -1 1 382.306 1.514 20 0 GDADMM CCOc1ccc(Br)cc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821417608 607213652 /nfs/dbraw/zinc/21/36/52/607213652.db2.gz PPYNQSJCXXRIQB-UHFFFAOYSA-N -1 1 393.205 1.258 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000823126979 607213954 /nfs/dbraw/zinc/21/39/54/607213954.db2.gz PQZCVMOHSFFJIF-UHFFFAOYSA-N -1 1 378.318 1.283 20 0 GDADMM CC(C)(c1nnc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)s1)c1ccccc1 ZINC000820005951 607214982 /nfs/dbraw/zinc/21/49/82/607214982.db2.gz ZPVNLWXZFUIKPF-UHFFFAOYSA-N -1 1 396.440 1.274 20 0 GDADMM Cc1cccc(COc2cccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)c2)c1 ZINC000822304188 607215923 /nfs/dbraw/zinc/21/59/23/607215923.db2.gz RXHDUYWARAJKRQ-UHFFFAOYSA-N -1 1 390.407 1.984 20 0 GDADMM CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000819899248 607216607 /nfs/dbraw/zinc/21/66/07/607216607.db2.gz QJBCHNLRKIURHE-CYBMUJFWSA-N -1 1 388.407 1.207 20 0 GDADMM COc1ccc(N(Cc2ccco2)C(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1F ZINC000821828595 607219130 /nfs/dbraw/zinc/21/91/30/607219130.db2.gz ZLFDVOHLKOPISE-UHFFFAOYSA-N -1 1 398.358 1.432 20 0 GDADMM CCc1noc(-c2ccc(C)c(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)c2)n1 ZINC000821554533 607221627 /nfs/dbraw/zinc/22/16/27/607221627.db2.gz OBZUATVZIDKJOD-UHFFFAOYSA-N -1 1 380.372 1.018 20 0 GDADMM CCOCCC1(CNC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)CC1 ZINC000825590486 607780845 /nfs/dbraw/zinc/78/08/45/607780845.db2.gz VWTJUOSHBJQGIH-UHFFFAOYSA-N -1 1 378.458 1.626 20 0 GDADMM CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000825201625 607803768 /nfs/dbraw/zinc/80/37/68/607803768.db2.gz INMIPISFNXTXMU-DGCLKSJQSA-N -1 1 389.464 1.005 20 0 GDADMM CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000825201625 607803769 /nfs/dbraw/zinc/80/37/69/607803769.db2.gz INMIPISFNXTXMU-DGCLKSJQSA-N -1 1 389.464 1.005 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)n1 ZINC000826357307 607804084 /nfs/dbraw/zinc/80/40/84/607804084.db2.gz ZVKACHGQIGTMNJ-SWLSCSKDSA-N -1 1 382.428 1.890 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)n1 ZINC000826357307 607804085 /nfs/dbraw/zinc/80/40/85/607804085.db2.gz ZVKACHGQIGTMNJ-SWLSCSKDSA-N -1 1 382.428 1.890 20 0 GDADMM Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000826291205 607825868 /nfs/dbraw/zinc/82/58/68/607825868.db2.gz URLSWUHIFRKBNX-UHFFFAOYSA-N -1 1 399.415 1.752 20 0 GDADMM CC1(C)CN(CN2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)C(=O)O1 ZINC000824807757 607888266 /nfs/dbraw/zinc/88/82/66/607888266.db2.gz MYLJFJTVPVKNAN-UHFFFAOYSA-N -1 1 388.432 1.042 20 0 GDADMM CN(CC(=O)Nc1ccc(Br)cn1)c1cccc(-c2nnn[n-]2)n1 ZINC000825892001 607902205 /nfs/dbraw/zinc/90/22/05/607902205.db2.gz AZACWSIOYIDPDE-UHFFFAOYSA-N -1 1 389.217 1.494 20 0 GDADMM CN(CC(=O)Nc1ccc(Br)cn1)c1cccc(-c2nn[n-]n2)n1 ZINC000825892001 607902206 /nfs/dbraw/zinc/90/22/06/607902206.db2.gz AZACWSIOYIDPDE-UHFFFAOYSA-N -1 1 389.217 1.494 20 0 GDADMM O=S(=O)(NC[C@H](CO)Cc1ccccc1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826489700 607906586 /nfs/dbraw/zinc/90/65/86/607906586.db2.gz XMIAUNSZIUMFQM-CYBMUJFWSA-N -1 1 391.428 1.135 20 0 GDADMM FC(F)Oc1cccc([C@@H]2CN(c3nccnc3-c3nnn[n-]3)CCO2)c1 ZINC000826370587 607969058 /nfs/dbraw/zinc/96/90/58/607969058.db2.gz ZVDZUVJBDBTIJI-LBPRGKRZSA-N -1 1 375.339 1.836 20 0 GDADMM FC(F)Oc1cccc([C@@H]2CN(c3nccnc3-c3nn[n-]n3)CCO2)c1 ZINC000826370587 607969059 /nfs/dbraw/zinc/96/90/59/607969059.db2.gz ZVDZUVJBDBTIJI-LBPRGKRZSA-N -1 1 375.339 1.836 20 0 GDADMM CN1C(=O)C[C@H](C(=O)OCc2ccnc(-c3nnn[n-]3)c2)[C@H]1c1ccc(F)cc1 ZINC000826011173 607979612 /nfs/dbraw/zinc/97/96/12/607979612.db2.gz ZQRLSJDMFCVWQF-WMLDXEAASA-N -1 1 396.382 1.664 20 0 GDADMM CN1C(=O)C[C@H](C(=O)OCc2ccnc(-c3nn[n-]n3)c2)[C@H]1c1ccc(F)cc1 ZINC000826011173 607979613 /nfs/dbraw/zinc/97/96/13/607979613.db2.gz ZQRLSJDMFCVWQF-WMLDXEAASA-N -1 1 396.382 1.664 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000826450998 607998263 /nfs/dbraw/zinc/99/82/63/607998263.db2.gz LWZJIIVUKNLZQP-UONOGXRCSA-N -1 1 384.440 1.940 20 0 GDADMM CN(C[C@H](O)C1CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825902732 608000594 /nfs/dbraw/zinc/00/05/94/608000594.db2.gz ZGRFOJQGFOAXNZ-NSHDSACASA-N -1 1 391.375 1.277 20 0 GDADMM C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(F)cc(Cl)c2[O-])c1-c1nn[n-]n1 ZINC000826077504 608023016 /nfs/dbraw/zinc/02/30/16/608023016.db2.gz KMLRJZMPWPOPKZ-UHFFFAOYSA-N -1 1 394.798 1.492 20 0 GDADMM CCc1csc(-n2cc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)cn2)n1 ZINC000825739914 608101793 /nfs/dbraw/zinc/10/17/93/608101793.db2.gz KSVRLMDOMQALIL-UHFFFAOYSA-N -1 1 382.409 1.823 20 0 GDADMM CCc1csc(-n2cc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)cn2)n1 ZINC000825739914 608101794 /nfs/dbraw/zinc/10/17/94/608101794.db2.gz KSVRLMDOMQALIL-UHFFFAOYSA-N -1 1 382.409 1.823 20 0 GDADMM CN(CC(C)(C)O)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825898114 608111160 /nfs/dbraw/zinc/11/11/60/608111160.db2.gz ZPUSRFIHEAJOOX-UHFFFAOYSA-N -1 1 379.364 1.277 20 0 GDADMM C[C@H]1OCC[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825020227 608111578 /nfs/dbraw/zinc/11/15/78/608111578.db2.gz JNLVHWAYZWMIEU-XCBNKYQSSA-N -1 1 377.348 1.341 20 0 GDADMM C[C@@H]1C[C@@H](C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)CCC1=O ZINC000824864545 608117237 /nfs/dbraw/zinc/11/72/37/608117237.db2.gz BUEBHXWCRQFZEW-YPMHNXCESA-N -1 1 399.455 1.386 20 0 GDADMM Cc1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)nn1-c1nc(C)cc(C)n1 ZINC000826265782 608117723 /nfs/dbraw/zinc/11/77/23/608117723.db2.gz MWRNXVKBBOWQRP-UHFFFAOYSA-N -1 1 391.395 1.520 20 0 GDADMM Cc1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)nn1-c1nc(C)cc(C)n1 ZINC000826265782 608117724 /nfs/dbraw/zinc/11/77/24/608117724.db2.gz MWRNXVKBBOWQRP-UHFFFAOYSA-N -1 1 391.395 1.520 20 0 GDADMM C[C@H](CN(C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1nccs1 ZINC000824413396 608126980 /nfs/dbraw/zinc/12/69/80/608126980.db2.gz LNSKZJBEANFUMP-SECBINFHSA-N -1 1 382.446 1.887 20 0 GDADMM C[C@H](CN(C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1nccs1 ZINC000824413396 608126981 /nfs/dbraw/zinc/12/69/81/608126981.db2.gz LNSKZJBEANFUMP-SECBINFHSA-N -1 1 382.446 1.887 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC[C@H]1CCO[C@H](C)C1 ZINC000826328624 608166916 /nfs/dbraw/zinc/16/69/16/608166916.db2.gz XTWICWBHWSEIJM-RISCZKNCSA-N -1 1 398.471 1.390 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC[C@H]1CCO[C@H](C)C1 ZINC000826328624 608166918 /nfs/dbraw/zinc/16/69/18/608166918.db2.gz XTWICWBHWSEIJM-RISCZKNCSA-N -1 1 398.471 1.390 20 0 GDADMM CCc1nsc(N2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)n1 ZINC000825776830 608176046 /nfs/dbraw/zinc/17/60/46/608176046.db2.gz LCTZKIIODZTEFQ-UHFFFAOYSA-N -1 1 399.440 1.855 20 0 GDADMM NS(=O)(=O)c1ccc(F)c(CNc2snc(Cl)c2-c2nnn[n-]2)c1 ZINC000826394432 608185041 /nfs/dbraw/zinc/18/50/41/608185041.db2.gz JVYJXTZXIWIUGP-UHFFFAOYSA-N -1 1 389.825 1.375 20 0 GDADMM NS(=O)(=O)c1ccc(F)c(CNc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000826394432 608185043 /nfs/dbraw/zinc/18/50/43/608185043.db2.gz JVYJXTZXIWIUGP-UHFFFAOYSA-N -1 1 389.825 1.375 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H](CO)C1CCCCC1 ZINC000826233170 608187454 /nfs/dbraw/zinc/18/74/54/608187454.db2.gz WNFINOHDKDANMI-OAHLLOKOSA-N -1 1 388.472 1.574 20 0 GDADMM Cc1[nH]c2ccccc2c1CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826233423 608212337 /nfs/dbraw/zinc/21/23/37/608212337.db2.gz GSYRORNTJUNBJR-UHFFFAOYSA-N -1 1 393.455 1.595 20 0 GDADMM Cc1[nH]c2ccccc2c1CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826233423 608212338 /nfs/dbraw/zinc/21/23/38/608212338.db2.gz GSYRORNTJUNBJR-UHFFFAOYSA-N -1 1 393.455 1.595 20 0 GDADMM CCOc1c(F)cccc1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825603753 608212629 /nfs/dbraw/zinc/21/26/29/608212629.db2.gz BANIRXXTHZSQRD-UHFFFAOYSA-N -1 1 388.407 1.415 20 0 GDADMM CCOc1c(F)cccc1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825603753 608212631 /nfs/dbraw/zinc/21/26/31/608212631.db2.gz BANIRXXTHZSQRD-UHFFFAOYSA-N -1 1 388.407 1.415 20 0 GDADMM CCc1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1S(C)(=O)=O ZINC000825704647 608244102 /nfs/dbraw/zinc/24/41/02/608244102.db2.gz LTDGCXSIYOFPIP-UHFFFAOYSA-N -1 1 387.421 1.791 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)n1 ZINC000826357313 608306624 /nfs/dbraw/zinc/30/66/24/608306624.db2.gz ZWWIRUBPOJJYPU-SNVBAGLBSA-N -1 1 383.420 1.007 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCc2csc(C(C)(C)C)n2)n1 ZINC000826357105 608307040 /nfs/dbraw/zinc/30/70/40/608307040.db2.gz RFHVUSFYRWGRLX-UHFFFAOYSA-N -1 1 375.462 1.718 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCc2csc(C(C)(C)C)n2)n1 ZINC000826357105 608307042 /nfs/dbraw/zinc/30/70/42/608307042.db2.gz RFHVUSFYRWGRLX-UHFFFAOYSA-N -1 1 375.462 1.718 20 0 GDADMM Cc1oc(NC(=O)CN2CCCN(CC(F)F)CC2)c(-c2nn[n-]n2)c1C ZINC000826341886 608322102 /nfs/dbraw/zinc/32/21/02/608322102.db2.gz SDKXEOJBBVALKT-UHFFFAOYSA-N -1 1 383.403 1.288 20 0 GDADMM COCCn1c(=O)cc([O-])nc1SCc1ccc(-c2nn[nH]n2)cc1OC ZINC000826164046 608323838 /nfs/dbraw/zinc/32/38/38/608323838.db2.gz WXHAJGDGEWNGOX-UHFFFAOYSA-N -1 1 390.425 1.076 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N[C@H]2CCCc3occc32)n1 ZINC000824148112 608341243 /nfs/dbraw/zinc/34/12/43/608341243.db2.gz MSUQROUPCPQCHJ-LBPRGKRZSA-N -1 1 398.427 1.544 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N[C@H]2CCCc3occc32)n1 ZINC000824148112 608341245 /nfs/dbraw/zinc/34/12/45/608341245.db2.gz MSUQROUPCPQCHJ-LBPRGKRZSA-N -1 1 398.427 1.544 20 0 GDADMM C[C@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)c1ccccn1 ZINC000824469621 608351020 /nfs/dbraw/zinc/35/10/20/608351020.db2.gz AWTWIUVKSRNVBO-JTQLQIEISA-N -1 1 383.416 1.029 20 0 GDADMM C[C@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)c1ccccn1 ZINC000824469621 608351021 /nfs/dbraw/zinc/35/10/21/608351021.db2.gz AWTWIUVKSRNVBO-JTQLQIEISA-N -1 1 383.416 1.029 20 0 GDADMM CC(C)[C@@H]1CCCCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824214949 608352803 /nfs/dbraw/zinc/35/28/03/608352803.db2.gz ISBYGPZCABUZCV-ZDUSSCGKSA-N -1 1 388.476 1.794 20 0 GDADMM CC(C)[C@@H]1CCCCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824214949 608352804 /nfs/dbraw/zinc/35/28/04/608352804.db2.gz ISBYGPZCABUZCV-ZDUSSCGKSA-N -1 1 388.476 1.794 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N[C@@H]2CCCC(F)(F)C2)n1 ZINC000824148492 608358019 /nfs/dbraw/zinc/35/80/19/608358019.db2.gz WYUZTOJGCHLECU-SECBINFHSA-N -1 1 396.402 1.451 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N[C@@H]2CCCC(F)(F)C2)n1 ZINC000824148492 608358021 /nfs/dbraw/zinc/35/80/21/608358021.db2.gz WYUZTOJGCHLECU-SECBINFHSA-N -1 1 396.402 1.451 20 0 GDADMM Cc1nc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cs1 ZINC000826326889 608384518 /nfs/dbraw/zinc/38/45/18/608384518.db2.gz JJGPMCPWWVSGSM-SECBINFHSA-N -1 1 386.445 1.164 20 0 GDADMM Cc1nc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cs1 ZINC000826326889 608384520 /nfs/dbraw/zinc/38/45/20/608384520.db2.gz JJGPMCPWWVSGSM-SECBINFHSA-N -1 1 386.445 1.164 20 0 GDADMM CS(=O)(=O)CC1(Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)CC1 ZINC000826222597 608398443 /nfs/dbraw/zinc/39/84/43/608398443.db2.gz DISCFYHXRGPETC-UHFFFAOYSA-N -1 1 393.856 1.660 20 0 GDADMM COc1cccc(OC)c1OC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826217348 608400061 /nfs/dbraw/zinc/40/00/61/608400061.db2.gz IQWRVNDTXKNNJO-UHFFFAOYSA-N -1 1 383.412 1.722 20 0 GDADMM COc1cccc(OC)c1OC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826217348 608400063 /nfs/dbraw/zinc/40/00/63/608400063.db2.gz IQWRVNDTXKNNJO-UHFFFAOYSA-N -1 1 383.412 1.722 20 0 GDADMM O=C(NCCNc1ccc(-c2nnn[n-]2)nn1)c1cccc(Br)c1 ZINC000826438359 608409449 /nfs/dbraw/zinc/40/94/49/608409449.db2.gz ZMGOGNQUXWAGJQ-UHFFFAOYSA-N -1 1 389.217 1.261 20 0 GDADMM O=C(NCCNc1ccc(-c2nn[n-]n2)nn1)c1cccc(Br)c1 ZINC000826438359 608409451 /nfs/dbraw/zinc/40/94/51/608409451.db2.gz ZMGOGNQUXWAGJQ-UHFFFAOYSA-N -1 1 389.217 1.261 20 0 GDADMM O=C(CCc1ccccc1)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826409050 608430936 /nfs/dbraw/zinc/43/09/36/608430936.db2.gz GKOLFKXKBVDEFP-UHFFFAOYSA-N -1 1 378.440 1.328 20 0 GDADMM O=C(CCc1ccccc1)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826409050 608430937 /nfs/dbraw/zinc/43/09/37/608430937.db2.gz GKOLFKXKBVDEFP-UHFFFAOYSA-N -1 1 378.440 1.328 20 0 GDADMM O[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826506372 608437972 /nfs/dbraw/zinc/43/79/72/608437972.db2.gz SXTFTCBPOYDEJH-AAEUAGOBSA-N -1 1 377.330 1.988 20 0 GDADMM O[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826506372 608437974 /nfs/dbraw/zinc/43/79/74/608437974.db2.gz SXTFTCBPOYDEJH-AAEUAGOBSA-N -1 1 377.330 1.988 20 0 GDADMM O=C(CN1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1)Nc1ccc(F)cc1 ZINC000826411391 608505258 /nfs/dbraw/zinc/50/52/58/608505258.db2.gz WSAHJDXTKHSVTN-UHFFFAOYSA-N -1 1 385.403 1.355 20 0 GDADMM O=C(CN1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1)Nc1ccc(F)cc1 ZINC000826411391 608505259 /nfs/dbraw/zinc/50/52/59/608505259.db2.gz WSAHJDXTKHSVTN-UHFFFAOYSA-N -1 1 385.403 1.355 20 0 GDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000826280538 608542766 /nfs/dbraw/zinc/54/27/66/608542766.db2.gz FWGRHWIMBBAMQI-HUUCEWRRSA-N -1 1 398.515 1.197 20 0 GDADMM CCOc1cc(C)ccc1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825615572 608548837 /nfs/dbraw/zinc/54/88/37/608548837.db2.gz AXKSQIYQQDEFMT-UHFFFAOYSA-N -1 1 399.459 1.976 20 0 GDADMM CCOc1cc(C)ccc1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825615572 608548838 /nfs/dbraw/zinc/54/88/38/608548838.db2.gz AXKSQIYQQDEFMT-UHFFFAOYSA-N -1 1 399.459 1.976 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cc(F)cc(Cl)c1 ZINC000825935146 608556697 /nfs/dbraw/zinc/55/66/97/608556697.db2.gz VTHWQAAEZCSLKM-UHFFFAOYSA-N -1 1 378.799 1.669 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cc(F)cc(Cl)c1 ZINC000825935146 608556698 /nfs/dbraw/zinc/55/66/98/608556698.db2.gz VTHWQAAEZCSLKM-UHFFFAOYSA-N -1 1 378.799 1.669 20 0 GDADMM COc1ccc([C@H](C)CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000826188262 608558805 /nfs/dbraw/zinc/55/88/05/608558805.db2.gz RRSDXQIHQGLDTA-GFCCVEGCSA-N -1 1 398.471 1.765 20 0 GDADMM COc1ccc([C@H](C)CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000826188262 608558806 /nfs/dbraw/zinc/55/88/06/608558806.db2.gz RRSDXQIHQGLDTA-GFCCVEGCSA-N -1 1 398.471 1.765 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@H]1C[C@H]1Cc1ccccc1 ZINC000825923439 608558903 /nfs/dbraw/zinc/55/89/03/608558903.db2.gz HUYVKLXSLBVQDC-KGLIPLIRSA-N -1 1 380.456 1.442 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@H]1C[C@H]1Cc1ccccc1 ZINC000825923439 608558906 /nfs/dbraw/zinc/55/89/06/608558906.db2.gz HUYVKLXSLBVQDC-KGLIPLIRSA-N -1 1 380.456 1.442 20 0 GDADMM Cc1ccc2cc(C(=O)N(C)CCCc3[nH]nc(N)c3-c3nnn[n-]3)[nH]c2c1 ZINC000826295058 608559873 /nfs/dbraw/zinc/55/98/73/608559873.db2.gz OYDPBFIAIUECKR-UHFFFAOYSA-N -1 1 379.428 1.667 20 0 GDADMM Cc1ccc2cc(C(=O)N(C)CCCc3[nH]nc(N)c3-c3nn[n-]n3)[nH]c2c1 ZINC000826295058 608559875 /nfs/dbraw/zinc/55/98/75/608559875.db2.gz OYDPBFIAIUECKR-UHFFFAOYSA-N -1 1 379.428 1.667 20 0 GDADMM CC[C@@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1c(C)noc1C ZINC000825040058 608559981 /nfs/dbraw/zinc/55/99/81/608559981.db2.gz YKJUIJNWJRJUOH-LLVKDONJSA-N -1 1 387.448 1.362 20 0 GDADMM CC[C@@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1c(C)noc1C ZINC000825040058 608559983 /nfs/dbraw/zinc/55/99/83/608559983.db2.gz YKJUIJNWJRJUOH-LLVKDONJSA-N -1 1 387.448 1.362 20 0 GDADMM Cc1noc(C)c1[C@H](C)CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826337842 608560983 /nfs/dbraw/zinc/56/09/83/608560983.db2.gz CCJAZJOCTXTUEN-SECBINFHSA-N -1 1 387.448 1.362 20 0 GDADMM Cc1noc(C)c1[C@H](C)CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826337842 608560984 /nfs/dbraw/zinc/56/09/84/608560984.db2.gz CCJAZJOCTXTUEN-SECBINFHSA-N -1 1 387.448 1.362 20 0 GDADMM CCOc1ccc(C2=CCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)cc1 ZINC000825639490 608598670 /nfs/dbraw/zinc/59/86/70/608598670.db2.gz XXAAKUFEFHVDGH-UHFFFAOYSA-N -1 1 380.412 1.173 20 0 GDADMM Cc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c(O)c1C ZINC000826281830 608809380 /nfs/dbraw/zinc/80/93/80/608809380.db2.gz LSTMOTBYZVBTOW-GFCCVEGCSA-N -1 1 394.439 1.330 20 0 GDADMM Cc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c(O)c1C ZINC000826281830 608809382 /nfs/dbraw/zinc/80/93/82/608809382.db2.gz LSTMOTBYZVBTOW-GFCCVEGCSA-N -1 1 394.439 1.330 20 0 GDADMM Brc1ccc(-c2nnc(Cn3ccnc3-c3nnn[n-]3)o2)s1 ZINC000823826974 608889207 /nfs/dbraw/zinc/88/92/07/608889207.db2.gz RJUYEUVIUQOYMM-UHFFFAOYSA-N -1 1 379.203 1.986 20 0 GDADMM Brc1ccc(-c2nnc(Cn3ccnc3-c3nn[n-]n3)o2)s1 ZINC000823826974 608889210 /nfs/dbraw/zinc/88/92/10/608889210.db2.gz RJUYEUVIUQOYMM-UHFFFAOYSA-N -1 1 379.203 1.986 20 0 GDADMM C[C@@H]1CN(c2ccc(NC(=O)Cn3ccnc3-c3nnn[n-]3)cc2)C[C@H](C)O1 ZINC000824994208 608889404 /nfs/dbraw/zinc/88/94/04/608889404.db2.gz UIZMEGZWNVZOHL-BETUJISGSA-N -1 1 382.428 1.316 20 0 GDADMM C[C@@H]1CN(c2ccc(NC(=O)Cn3ccnc3-c3nn[n-]n3)cc2)C[C@H](C)O1 ZINC000824994208 608889407 /nfs/dbraw/zinc/88/94/07/608889407.db2.gz UIZMEGZWNVZOHL-BETUJISGSA-N -1 1 382.428 1.316 20 0 GDADMM CCc1csc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)n1 ZINC000825739550 609157792 /nfs/dbraw/zinc/15/77/92/609157792.db2.gz FTHJHNGTOGIEAR-UHFFFAOYSA-N -1 1 376.450 1.287 20 0 GDADMM CCc1csc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)n1 ZINC000825739550 609157794 /nfs/dbraw/zinc/15/77/94/609157794.db2.gz FTHJHNGTOGIEAR-UHFFFAOYSA-N -1 1 376.450 1.287 20 0 GDADMM CCC[C@@](C)(NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)C(=O)OC ZINC000825232197 609297778 /nfs/dbraw/zinc/29/77/78/609297778.db2.gz DYKLUUFHDHVYDB-OAHLLOKOSA-N -1 1 380.430 1.151 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000825930349 609298812 /nfs/dbraw/zinc/29/88/12/609298812.db2.gz UERSYWDASKOEKX-AWEZNQCLSA-N -1 1 395.471 1.824 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000825930349 609298814 /nfs/dbraw/zinc/29/88/14/609298814.db2.gz UERSYWDASKOEKX-AWEZNQCLSA-N -1 1 395.471 1.824 20 0 GDADMM Cc1ccc([C@@H](C)NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000826283267 609301013 /nfs/dbraw/zinc/30/10/13/609301013.db2.gz NSEFSOQXBFWQAA-GFCCVEGCSA-N -1 1 383.460 1.816 20 0 GDADMM Cc1ccc([C@@H](C)NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000826283267 609301015 /nfs/dbraw/zinc/30/10/15/609301015.db2.gz NSEFSOQXBFWQAA-GFCCVEGCSA-N -1 1 383.460 1.816 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@@H]1CCCCC1(C)C ZINC000825930138 609308205 /nfs/dbraw/zinc/30/82/05/609308205.db2.gz QFDMINDAEVRGIL-GFCCVEGCSA-N -1 1 375.481 1.715 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@@H]1CCCCC1(C)C ZINC000825930138 609308206 /nfs/dbraw/zinc/30/82/06/609308206.db2.gz QFDMINDAEVRGIL-GFCCVEGCSA-N -1 1 375.481 1.715 20 0 GDADMM O=C(COc1cccnc1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826419934 609312097 /nfs/dbraw/zinc/31/20/97/609312097.db2.gz RRQCUGOLKTWDFZ-UHFFFAOYSA-N -1 1 380.343 1.604 20 0 GDADMM Cc1cc(=O)[nH]cc1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826256515 609312666 /nfs/dbraw/zinc/31/26/66/609312666.db2.gz NLXPXSZQALSRFB-UHFFFAOYSA-N -1 1 380.343 1.853 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)[C@@H]1CCCc2n[nH]cc21 ZINC000826458106 609313242 /nfs/dbraw/zinc/31/32/42/609313242.db2.gz CQBXBUOABNWYOG-SNVBAGLBSA-N -1 1 393.386 1.973 20 0 GDADMM CC(C)Oc1ncccc1OS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824337801 609317701 /nfs/dbraw/zinc/31/77/01/609317701.db2.gz HVIQQFNEEUNDNM-UHFFFAOYSA-N -1 1 379.373 1.956 20 0 GDADMM CC(C)Oc1ncccc1OS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824337801 609317702 /nfs/dbraw/zinc/31/77/02/609317702.db2.gz HVIQQFNEEUNDNM-UHFFFAOYSA-N -1 1 379.373 1.956 20 0 GDADMM COC(=O)[C@@H]1CCCCCN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826134171 609318534 /nfs/dbraw/zinc/31/85/34/609318534.db2.gz TZRXUEXOUSQJPJ-LBPRGKRZSA-N -1 1 383.405 1.112 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H]1CC(C)(C)OC1(C)C ZINC000826232820 609324942 /nfs/dbraw/zinc/32/49/42/609324942.db2.gz JUXSKCDBXVPNBL-ZDUSSCGKSA-N -1 1 388.472 1.979 20 0 GDADMM CC[C@@H]1CN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C[C@H]1O ZINC000825200287 609363517 /nfs/dbraw/zinc/36/35/17/609363517.db2.gz ACMFDIHSXZMGLF-ZWNOBZJWSA-N -1 1 386.391 1.426 20 0 GDADMM COC1CCN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CC1 ZINC000826146926 609364159 /nfs/dbraw/zinc/36/41/59/609364159.db2.gz IQLIOCOVXAWXBC-UHFFFAOYSA-N -1 1 386.391 1.834 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000826458417 609364936 /nfs/dbraw/zinc/36/49/36/609364936.db2.gz OWZCWSYUDJCOEG-PHIMTYICSA-N -1 1 384.375 1.587 20 0 GDADMM O=S(=O)(NC1CCCC1)C1CN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000826488404 609367004 /nfs/dbraw/zinc/36/70/04/609367004.db2.gz OYIXWQZQMPRYCX-UHFFFAOYSA-N -1 1 389.894 1.027 20 0 GDADMM O=S(=O)(NC1CCCC1)C1CN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000826488404 609367006 /nfs/dbraw/zinc/36/70/06/609367006.db2.gz OYIXWQZQMPRYCX-UHFFFAOYSA-N -1 1 389.894 1.027 20 0 GDADMM CC(=O)NCCN(Cc1ccc(-c2nn[n-]n2)s1)[C@H](C)C(=O)OC(C)(C)C ZINC000823994691 609367408 /nfs/dbraw/zinc/36/74/08/609367408.db2.gz MMSVSEQIROTXFR-LLVKDONJSA-N -1 1 394.501 1.597 20 0 GDADMM C[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1cncc(F)c1 ZINC000824489927 609412272 /nfs/dbraw/zinc/41/22/72/609412272.db2.gz NTFPZOLMZUTXAP-SECBINFHSA-N -1 1 388.411 1.041 20 0 GDADMM C[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1cncc(F)c1 ZINC000824489927 609412273 /nfs/dbraw/zinc/41/22/73/609412273.db2.gz NTFPZOLMZUTXAP-SECBINFHSA-N -1 1 388.411 1.041 20 0 GDADMM O=C1[C@H](Nc2c3ccccc3nnc2-c2nnn[n-]2)CN1c1ccc(F)cc1 ZINC000826478085 609419344 /nfs/dbraw/zinc/41/93/44/609419344.db2.gz UBPUPYCABNJWML-CQSZACIVSA-N -1 1 376.355 1.776 20 0 GDADMM O=C1[C@H](Nc2c3ccccc3nnc2-c2nn[n-]n2)CN1c1ccc(F)cc1 ZINC000826478085 609419345 /nfs/dbraw/zinc/41/93/45/609419345.db2.gz UBPUPYCABNJWML-CQSZACIVSA-N -1 1 376.355 1.776 20 0 GDADMM O=C(NN1CN=NC1=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000826461037 609435642 /nfs/dbraw/zinc/43/56/42/609435642.db2.gz CMHSHYGCQWJDEJ-UHFFFAOYSA-N -1 1 398.770 1.993 20 0 GDADMM c1ccc(CN2CCO[C@H](c3noc(-c4ccc(-c5nn[n-]n5)nc4)n3)C2)cc1 ZINC000826521522 609475512 /nfs/dbraw/zinc/47/55/12/609475512.db2.gz QBUSHDOEJSZEHQ-INIZCTEOSA-N -1 1 390.407 1.885 20 0 GDADMM CC(C)c1nc([C@@H]2COCCN2c2ccc(Cl)c(-c3nnn[n-]3)n2)no1 ZINC000824358715 609495060 /nfs/dbraw/zinc/49/50/60/609495060.db2.gz OUCJIHORESCFEX-JTQLQIEISA-N -1 1 376.808 1.999 20 0 GDADMM CC(C)c1nc([C@@H]2COCCN2c2ccc(Cl)c(-c3nn[n-]n3)n2)no1 ZINC000824358715 609495063 /nfs/dbraw/zinc/49/50/63/609495063.db2.gz OUCJIHORESCFEX-JTQLQIEISA-N -1 1 376.808 1.999 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cn(C(C)(C)C)nc2Br)n1 ZINC000826357699 609591789 /nfs/dbraw/zinc/59/17/89/609591789.db2.gz OGSZGCFRQZSRFP-UHFFFAOYSA-N -1 1 394.237 1.567 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cn(C(C)(C)C)nc2Br)n1 ZINC000826357699 609591791 /nfs/dbraw/zinc/59/17/91/609591791.db2.gz OGSZGCFRQZSRFP-UHFFFAOYSA-N -1 1 394.237 1.567 20 0 GDADMM C[C@H]1OCC[C@]1(C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825012405 609612056 /nfs/dbraw/zinc/61/20/56/609612056.db2.gz IMLHNWWYJSZKJG-OQPBUACISA-N -1 1 391.375 1.731 20 0 GDADMM Cc1nc(S(=O)(=O)[N-]CCNC(=O)c2c(F)cccc2F)sc1C ZINC000533253553 650047309 /nfs/dbraw/zinc/04/73/09/650047309.db2.gz AWXKRXHUTXWDJW-UHFFFAOYSA-N -1 1 375.422 1.746 20 0 GDADMM COCCOCCS(=O)(=O)[N-]c1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000533627616 650210974 /nfs/dbraw/zinc/21/09/74/650210974.db2.gz CXLXZQGONGYFHV-UHFFFAOYSA-N -1 1 395.268 1.979 20 0 GDADMM COC(=O)[C@@H](CC(F)F)NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000534941362 650236051 /nfs/dbraw/zinc/23/60/51/650236051.db2.gz ZBPACOJIGBGXAL-MRVPVSSYSA-N -1 1 382.385 1.283 20 0 GDADMM C[N-]S(=O)(=O)c1cc(C(=O)NCCNC(=O)c2ccc(Cl)cc2)co1 ZINC000535151924 650243415 /nfs/dbraw/zinc/24/34/15/650243415.db2.gz AWWQLYHQLYFJBH-UHFFFAOYSA-N -1 1 385.829 1.001 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccncc2Br)c(C)o1 ZINC000535513614 650249006 /nfs/dbraw/zinc/24/90/06/650249006.db2.gz KTSGZVPDGZFKIZ-UHFFFAOYSA-N -1 1 375.200 1.755 20 0 GDADMM COC(=O)[C@H](CC(F)F)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000536413739 650270520 /nfs/dbraw/zinc/27/05/20/650270520.db2.gz DLUBHIOTCAQUDY-YFKPBYRVSA-N -1 1 378.216 1.986 20 0 GDADMM COC(=O)[C@@H](CC(F)F)[N-]S(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC000536422712 650270894 /nfs/dbraw/zinc/27/08/94/650270894.db2.gz ZFIQUKVTIFFNKU-LLVKDONJSA-N -1 1 388.795 1.942 20 0 GDADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2n[nH]c(C(N)=O)c2c1 ZINC000537605924 650297190 /nfs/dbraw/zinc/29/71/90/650297190.db2.gz QZUHFNYFDDAAOP-UHFFFAOYSA-N -1 1 380.407 1.531 20 0 GDADMM O=S(=O)([N-][C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1)c1cc2ccccc2o1 ZINC000538284797 650307735 /nfs/dbraw/zinc/30/77/35/650307735.db2.gz GRIIXVLFRIWTEI-XJKSGUPXSA-N -1 1 385.463 1.447 20 0 GDADMM CCOC(=O)[C@H](C)[C@H](C)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000541393285 650383760 /nfs/dbraw/zinc/38/37/60/650383760.db2.gz NRCYKIVXZSXMTP-ZJUUUORDSA-N -1 1 396.462 1.063 20 0 GDADMM CN(C)c1nccc(CNC(=O)c2ccc(I)c([O-])c2)n1 ZINC000544884927 650448009 /nfs/dbraw/zinc/44/80/09/650448009.db2.gz KDSQVZMATGRNNS-UHFFFAOYSA-N -1 1 398.204 1.783 20 0 GDADMM COCCOC1CN(C(=O)c2ccc(I)c([O-])c2)C1 ZINC000544869733 650447377 /nfs/dbraw/zinc/44/73/77/650447377.db2.gz ZNNGVKBCHXKUQZ-UHFFFAOYSA-N -1 1 377.178 1.484 20 0 GDADMM CN(C)C(=O)NCCN(C)C(=O)c1ccc(I)c([O-])c1 ZINC000545503081 650459000 /nfs/dbraw/zinc/45/90/00/650459000.db2.gz RVXJPVFVMSQFJI-UHFFFAOYSA-N -1 1 391.209 1.340 20 0 GDADMM C[C@@H](CO[C@@H]1CCOC1)NC(=O)c1ccc(I)c([O-])c1 ZINC000546165508 650473218 /nfs/dbraw/zinc/47/32/18/650473218.db2.gz BNMSYPZVHWJZEI-GXSJLCMTSA-N -1 1 391.205 1.921 20 0 GDADMM CCN1CCN(c2ccc(C[N-]S(=O)(=O)[C@H](C)C(F)(F)F)cn2)CC1 ZINC000546801302 650486485 /nfs/dbraw/zinc/48/64/85/650486485.db2.gz LTVXMJZPYJWTND-GFCCVEGCSA-N -1 1 380.436 1.594 20 0 GDADMM NC(=O)[C@H](NC(=O)c1ccc(I)c([O-])c1)c1ccccc1 ZINC000546897722 650489575 /nfs/dbraw/zinc/48/95/75/650489575.db2.gz WUXUOUCXACRIGL-CYBMUJFWSA-N -1 1 396.184 1.953 20 0 GDADMM CSCc1ccc(-c2noc(C[N-]S(=O)(=O)c3cnn(C)c3)n2)cc1 ZINC000547060773 650491781 /nfs/dbraw/zinc/49/17/81/650491781.db2.gz WXPPVDCJBVPQSM-UHFFFAOYSA-N -1 1 379.467 1.812 20 0 GDADMM Cc1ccc(S(=O)(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])cc1Br ZINC000547546111 650500431 /nfs/dbraw/zinc/50/04/31/650500431.db2.gz QEFIDSPMJGKTLJ-GFCCVEGCSA-N -1 1 388.243 1.455 20 0 GDADMM Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@H]2CCOc3ccccc32)sc1C ZINC000548824425 650564962 /nfs/dbraw/zinc/56/49/62/650564962.db2.gz WTRPTQADJHCKOA-ZDUSSCGKSA-N -1 1 381.479 1.678 20 0 GDADMM Cn1cc(S(=O)(=O)[N-]C[C@@H](CO)Cc2ccccc2)c(C(F)(F)F)n1 ZINC000549775151 650582689 /nfs/dbraw/zinc/58/26/89/650582689.db2.gz WBCNDKMPSMGAAJ-LBPRGKRZSA-N -1 1 377.388 1.568 20 0 GDADMM CSc1nc(C)c(CCC(=O)Nc2cc(S(C)(=O)=O)ccn2)c(=O)[n-]1 ZINC000551689192 650610936 /nfs/dbraw/zinc/61/09/36/650610936.db2.gz FWIFHYVHIHONAZ-UHFFFAOYSA-N -1 1 382.467 1.582 20 0 GDADMM COC(=O)[C@]1([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CCOC1 ZINC000553424841 650646587 /nfs/dbraw/zinc/64/65/87/650646587.db2.gz WRRGMDRIDLANOZ-LBPRGKRZSA-N -1 1 387.307 1.335 20 0 GDADMM Cc1cc(I)cc(NC(=O)c2cc(=O)n3[n-]cnc3n2)c1 ZINC000553571731 650651598 /nfs/dbraw/zinc/65/15/98/650651598.db2.gz XDHNFORXFRGHIN-UHFFFAOYSA-N -1 1 395.160 1.583 20 0 GDADMM Cn1cc(S(=O)(=O)[N-]Cc2cccc(NC(N)=O)c2)c(C(F)(F)F)n1 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COc1nn(C)cc1C[N-]S(=O)(=O)c1nc(C)c(Br)s1 ZINC000908071007 659864521 /nfs/dbraw/zinc/86/45/21/659864521.db2.gz BZFCVQABDQBBGS-UHFFFAOYSA-N -1 1 381.277 1.435 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-]Cc2cn(C)cn2)c1F ZINC000908094978 659869156 /nfs/dbraw/zinc/86/91/56/659869156.db2.gz HDNCFQPGAIYUEM-UHFFFAOYSA-N -1 1 378.223 1.809 20 0 GDADMM COC(=O)C1CC2(C1)C[C@H]([N-]S(=O)(=O)c1ncn(C)c1Cl)CCS2 ZINC000908260035 659888587 /nfs/dbraw/zinc/88/85/87/659888587.db2.gz KTXJSUXYSREONB-OPASDULOSA-N -1 1 393.918 1.569 20 0 GDADMM O=c1[nH]ncc(N2CC[C@H]([N-]S(=O)(=O)c3cc(F)ccc3F)C2)c1Cl ZINC000908402364 659904775 /nfs/dbraw/zinc/90/47/75/659904775.db2.gz KKOCFMUUQIXGTC-VIFPVBQESA-N -1 1 390.799 1.671 20 0 GDADMM O=C(Nc1cccc([O-])c1Br)[C@H]1C[C@@H](O)CN1c1ccncn1 ZINC000908709617 659930383 /nfs/dbraw/zinc/93/03/83/659930383.db2.gz HYKZZRWFHDLYEZ-MWLCHTKSSA-N -1 1 379.214 1.523 20 0 GDADMM O=C([O-])[C@H]1CCCN(CC(=O)NCCOc2cccc(Br)c2)C1 ZINC000908755307 659931303 /nfs/dbraw/zinc/93/13/03/659931303.db2.gz 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659966444 /nfs/dbraw/zinc/96/64/44/659966444.db2.gz UEPFVSWSAQWKHM-YOEHRIQHSA-N -1 1 381.270 1.972 20 0 GDADMM COC1(OC)CC(NC(=O)c2ccc(I)c([O-])c2)C1 ZINC000911029277 659991289 /nfs/dbraw/zinc/99/12/89/659991289.db2.gz ZMCUJKRKSYDMGD-UHFFFAOYSA-N -1 1 377.178 1.878 20 0 GDADMM O=C([O-])[C@H]1CCCN(CC(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000911373456 660005895 /nfs/dbraw/zinc/00/58/95/660005895.db2.gz BJXPHWOOVODDJX-HZMBPMFUSA-N -1 1 375.252 1.940 20 0 GDADMM O=C([O-])[C@@H]1CCCN(CC(=O)N[C@@H](CCO)c2ccccc2Br)C1 ZINC000911521543 660009532 /nfs/dbraw/zinc/00/95/32/660009532.db2.gz BUBARGGLBVPXOX-DOMZBBRYSA-N -1 1 399.285 1.785 20 0 GDADMM CS(=O)(=O)c1ccnc(N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)n1 ZINC000912311397 660032750 /nfs/dbraw/zinc/03/27/50/660032750.db2.gz GCDGHDALUTWWMF-UHFFFAOYSA-N -1 1 382.873 1.561 20 0 GDADMM Cn1[nH]c(=O)c2c1CN(C(=O)c1ccc(I)cc1[O-])CC2 ZINC000913038317 660065045 /nfs/dbraw/zinc/06/50/45/660065045.db2.gz RLADUFWCESGFAJ-UHFFFAOYSA-N -1 1 399.188 1.634 20 0 GDADMM O=C(CCn1cc[n-]c(=O)c1=O)N1CC(Cc2cccc(Br)c2)C1 ZINC000913095126 660066890 /nfs/dbraw/zinc/06/68/90/660066890.db2.gz DHUZOIOPZJORDJ-UHFFFAOYSA-N -1 1 392.253 1.390 20 0 GDADMM O=C(Cc1csc(CCC(F)(F)F)n1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913494160 660082755 /nfs/dbraw/zinc/08/27/55/660082755.db2.gz UJLSMXZAPWYMJE-SECBINFHSA-N -1 1 376.364 1.294 20 0 GDADMM O=C(c1cc(Cl)c(F)cc1Br)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913497977 660083966 /nfs/dbraw/zinc/08/39/66/660083966.db2.gz NQQJMGQRMMSZQT-JTQLQIEISA-N -1 1 390.600 1.968 20 0 GDADMM O=C(N1CCC(c2nn[n-]n2)CC1)C1(c2cncc(Br)c2)CC1 ZINC000913744751 660095199 /nfs/dbraw/zinc/09/51/99/660095199.db2.gz BXZDLRLXMYNGNO-UHFFFAOYSA-N -1 1 377.246 1.795 20 0 GDADMM COc1cc(C(=O)N2CCC(c3nn[n-]n3)CC2)cc(OC)c1Br ZINC000913742436 660095245 /nfs/dbraw/zinc/09/52/45/660095245.db2.gz CIPVDSNVTXCIEQ-UHFFFAOYSA-N -1 1 396.245 1.999 20 0 GDADMM COc1nn2cc(Br)cnc2c1S(=O)(=O)[N-]CCC(C)C ZINC000913825574 660098935 /nfs/dbraw/zinc/09/89/35/660098935.db2.gz HUABAPICFZQOME-UHFFFAOYSA-N -1 1 377.264 1.825 20 0 GDADMM COC[C@@H](C)C[N-]S(=O)(=O)c1c(OC)nn2cc(Br)cnc12 ZINC000913971805 660108277 /nfs/dbraw/zinc/10/82/77/660108277.db2.gz GZCBXGRSQQGACN-QMMMGPOBSA-N -1 1 393.263 1.061 20 0 GDADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc(OC)c(Cl)c2)o1 ZINC000915420716 660169377 /nfs/dbraw/zinc/16/93/77/660169377.db2.gz IOXGRUGUVAMMBS-UHFFFAOYSA-N -1 1 387.797 1.889 20 0 GDADMM CN1CCN(c2ncccc2CNC(=O)N[C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC000780476389 939126657 /nfs/dbraw/zinc/12/66/57/939126657.db2.gz KVRCCSRTAKXOCF-QGZVFWFLSA-N -1 1 383.452 1.459 20 0 GDADMM O=C([O-])[C@@H](NC(=O)CCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1 ZINC000902860598 939291193 /nfs/dbraw/zinc/29/11/93/939291193.db2.gz VPMQXCDELZRGGQ-IBGZPJMESA-N -1 1 386.427 1.675 20 0 GDADMM C[C@H](CNC(=O)N[C@H](C(=O)[O-])C1CCOCC1)N1CCc2ccccc2C1 ZINC000908913525 939350724 /nfs/dbraw/zinc/35/07/24/939350724.db2.gz QAKWAFJNVQOGEZ-KDOFPFPSSA-N -1 1 375.469 1.612 20 0 GDADMM CN1CCN(C)[C@H](CNC(=O)N[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)C1 ZINC000908987478 939366480 /nfs/dbraw/zinc/36/64/80/939366480.db2.gz RMXSTGZICRFHIN-KGLIPLIRSA-N -1 1 388.390 1.376 20 0 GDADMM O=C(N[C@H]1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)c1cc(F)c[nH]1 ZINC001571258137 945346638 /nfs/dbraw/zinc/34/66/38/945346638.db2.gz MYNFRORCOKZAFX-PWSUYJOCSA-N -1 1 385.407 1.525 20 0 GDADMM O=C(N[C@H]1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)c1cc(F)c[nH]1 ZINC001571258137 945346649 /nfs/dbraw/zinc/34/66/49/945346649.db2.gz MYNFRORCOKZAFX-PWSUYJOCSA-N -1 1 385.407 1.525 20 0 GDADMM O=C(NC1CCC(Oc2ncccc2-c2nn[n-]n2)CC1)N[C@]12C[C@H]1COC2 ZINC001571258828 945366587 /nfs/dbraw/zinc/36/65/87/945366587.db2.gz CKLKNNCAPXXBAF-WZBSNXKDSA-N -1 1 385.428 1.040 20 0 GDADMM O=C([O-])[C@H](Cc1ccccc1)NCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC001601659319 971038396 /nfs/dbraw/zinc/03/83/96/971038396.db2.gz FTSXLGWPAGCLNL-IBGZPJMESA-N -1 1 385.439 1.760 20 0 GDADMM Cc1csc(C(=O)[O-])c1NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000323866759 971048054 /nfs/dbraw/zinc/04/80/54/971048054.db2.gz SIIIYQIOKWFZGF-UHFFFAOYSA-N -1 1 375.449 1.959 20 0 GDADMM CN(C(=O)c1coc(C2CC2)n1)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571261350 945424983 /nfs/dbraw/zinc/42/49/83/945424983.db2.gz DCZXZVPKNVGNJB-UHFFFAOYSA-N -1 1 385.453 1.750 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](NC(=O)c3cncs3)C[C@H]2C)n1 ZINC001571261176 945425238 /nfs/dbraw/zinc/42/52/38/945425238.db2.gz BJPNACVOMKATOJ-GHMZBOCLSA-N -1 1 385.457 1.209 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)c3cncs3)C[C@H]2C)n1 ZINC001571261176 945425245 /nfs/dbraw/zinc/42/52/45/945425245.db2.gz BJPNACVOMKATOJ-GHMZBOCLSA-N -1 1 385.457 1.209 20 0 GDADMM C[C@H]1CN(C(=O)c2cncs2)CC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571261395 945426775 /nfs/dbraw/zinc/42/67/75/945426775.db2.gz DPOUHKVKIFEWFR-QWRGUYRKSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H]1CN(C(=O)c2cncs2)CC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571261395 945426782 /nfs/dbraw/zinc/42/67/82/945426782.db2.gz DPOUHKVKIFEWFR-QWRGUYRKSA-N -1 1 385.457 1.324 20 0 GDADMM Cc1ccoc1C(=O)NC[C@@H]1[C@H]2CN(c3snc(C)c3-c3nn[n-]n3)C[C@H]21 ZINC001571262337 945435714 /nfs/dbraw/zinc/43/57/14/945435714.db2.gz PKNJISKTPIMKBB-CNDDSTCGSA-N -1 1 385.453 1.645 20 0 GDADMM CCc1ncsc1C(=O)NCC1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571262562 945438800 /nfs/dbraw/zinc/43/88/00/945438800.db2.gz URQSNCPJFMPDFD-UHFFFAOYSA-N -1 1 385.457 1.296 20 0 GDADMM CCc1ncsc1C(=O)NCC1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571262562 945438810 /nfs/dbraw/zinc/43/88/10/945438810.db2.gz URQSNCPJFMPDFD-UHFFFAOYSA-N -1 1 385.457 1.296 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@](C)(NC(=O)c3cscn3)C2)n1 ZINC001571262529 945439406 /nfs/dbraw/zinc/43/94/06/945439406.db2.gz SPWQETSQWXSMSO-INIZCTEOSA-N -1 1 385.457 1.074 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@](C)(NC(=O)c3cscn3)C2)n1 ZINC001571262529 945439413 /nfs/dbraw/zinc/43/94/13/945439413.db2.gz SPWQETSQWXSMSO-INIZCTEOSA-N -1 1 385.457 1.074 20 0 GDADMM O=C(c1ccsn1)N1CCCCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571262849 945444071 /nfs/dbraw/zinc/44/40/71/945444071.db2.gz AKQHSEZDJGQCPH-LLVKDONJSA-N -1 1 385.457 1.610 20 0 GDADMM O=C(c1ccsn1)N1CCCCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571262849 945444077 /nfs/dbraw/zinc/44/40/77/945444077.db2.gz AKQHSEZDJGQCPH-LLVKDONJSA-N -1 1 385.457 1.610 20 0 GDADMM C[C@@]1(CNc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)Cc2cncs2)C1 ZINC001571262819 945444457 /nfs/dbraw/zinc/44/44/57/945444457.db2.gz ZAANIAXJBPJYRS-INIZCTEOSA-N -1 1 385.457 1.006 20 0 GDADMM C[C@@]1(CNc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)Cc2cncs2)C1 ZINC001571262819 945444464 /nfs/dbraw/zinc/44/44/64/945444464.db2.gz ZAANIAXJBPJYRS-INIZCTEOSA-N -1 1 385.457 1.006 20 0 GDADMM Cc1ncsc1C(=O)N1C[C@H](C)[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571262938 945445587 /nfs/dbraw/zinc/44/55/87/945445587.db2.gz CRVWBGGGKDHPBU-ONGXEEELSA-N -1 1 385.457 1.242 20 0 GDADMM Cc1ncsc1C(=O)N1C[C@H](C)[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571262938 945445593 /nfs/dbraw/zinc/44/55/93/945445593.db2.gz CRVWBGGGKDHPBU-ONGXEEELSA-N -1 1 385.457 1.242 20 0 GDADMM O=C(Cc1cncs1)NC1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001571262881 945446433 /nfs/dbraw/zinc/44/64/33/945446433.db2.gz BBIJWNRDVGTLRD-UHFFFAOYSA-N -1 1 385.457 1.195 20 0 GDADMM O=C(Cc1cncs1)NC1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001571262881 945446440 /nfs/dbraw/zinc/44/64/40/945446440.db2.gz BBIJWNRDVGTLRD-UHFFFAOYSA-N -1 1 385.457 1.195 20 0 GDADMM Cc1ncsc1C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001571263322 945455562 /nfs/dbraw/zinc/45/55/62/945455562.db2.gz MWDOBJVTMDVAJY-KOLCDFICSA-N -1 1 385.457 1.527 20 0 GDADMM Cc1ncsc1C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001571263322 945455568 /nfs/dbraw/zinc/45/55/68/945455568.db2.gz MWDOBJVTMDVAJY-KOLCDFICSA-N -1 1 385.457 1.527 20 0 GDADMM Cc1cc(C(=O)NC2(C)CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)ns1 ZINC001571263422 945457242 /nfs/dbraw/zinc/45/72/42/945457242.db2.gz PQYXWZBIKKFYQZ-UHFFFAOYSA-N -1 1 385.457 1.211 20 0 GDADMM Cc1cc(C(=O)NC2(C)CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)ns1 ZINC001571263422 945457247 /nfs/dbraw/zinc/45/72/47/945457247.db2.gz PQYXWZBIKKFYQZ-UHFFFAOYSA-N -1 1 385.457 1.211 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@](C)(CNc3cnc(-c4nnn[n-]4)cn3)C2)ns1 ZINC001571263486 945459792 /nfs/dbraw/zinc/45/97/92/945459792.db2.gz RHYDWIWTTRXCEG-INIZCTEOSA-N -1 1 385.457 1.386 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@](C)(CNc3cnc(-c4nn[n-]n4)cn3)C2)ns1 ZINC001571263486 945459802 /nfs/dbraw/zinc/45/98/02/945459802.db2.gz RHYDWIWTTRXCEG-INIZCTEOSA-N -1 1 385.457 1.386 20 0 GDADMM Cc1ncsc1C(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)[C@H]1C ZINC001571263555 945462252 /nfs/dbraw/zinc/46/22/52/945462252.db2.gz TXJIGCIVLITWPX-GHMZBOCLSA-N -1 1 385.457 1.445 20 0 GDADMM Cc1ncsc1C(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)[C@H]1C ZINC001571263555 945462257 /nfs/dbraw/zinc/46/22/57/945462257.db2.gz TXJIGCIVLITWPX-GHMZBOCLSA-N -1 1 385.457 1.445 20 0 GDADMM CC(C)CC(=O)N1CCO[C@@H](CNc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571265525 945513468 /nfs/dbraw/zinc/51/34/68/945513468.db2.gz LFXHHFRJKQRQAQ-VIFPVBQESA-N -1 1 385.881 1.662 20 0 GDADMM CC(C)CC(=O)N1CCO[C@@H](CNc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571265525 945513478 /nfs/dbraw/zinc/51/34/78/945513478.db2.gz LFXHHFRJKQRQAQ-VIFPVBQESA-N -1 1 385.881 1.662 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)c3cncc(Cl)c3)C2)n1 ZINC001571266116 945530846 /nfs/dbraw/zinc/53/08/46/945530846.db2.gz WOLDRCJSCDXNMV-LBPRGKRZSA-N -1 1 385.819 1.022 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)c3cncc(Cl)c3)C2)n1 ZINC001571266116 945530849 /nfs/dbraw/zinc/53/08/49/945530849.db2.gz WOLDRCJSCDXNMV-LBPRGKRZSA-N -1 1 385.819 1.022 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(F)c(F)c1 ZINC001571267018 945558289 /nfs/dbraw/zinc/55/82/89/945558289.db2.gz GFSGXWKZNUQUFC-RNCFNFMXSA-N -1 1 386.366 1.072 20 0 GDADMM O=C(c1cccc(C(F)F)c1)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571267333 945566919 /nfs/dbraw/zinc/56/69/19/945566919.db2.gz QVWRYJMFEPLOPD-GFCCVEGCSA-N -1 1 386.366 1.921 20 0 GDADMM O=C(c1cccc(C(F)F)c1)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571267333 945566925 /nfs/dbraw/zinc/56/69/25/945566925.db2.gz QVWRYJMFEPLOPD-GFCCVEGCSA-N -1 1 386.366 1.921 20 0 GDADMM C[C@@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)c1cc(F)cc(F)c1 ZINC001571267380 945569308 /nfs/dbraw/zinc/56/93/08/945569308.db2.gz SPQYCJVORWXAOY-NOZJJQNGSA-N -1 1 386.366 1.072 20 0 GDADMM COc1ccc(C(=O)N[C@@H]2CCN(c3snc(C)c3-c3nn[n-]n3)C2)cn1 ZINC001571269999 945629526 /nfs/dbraw/zinc/62/95/26/945629526.db2.gz JXCQTTRDVGYBHB-LLVKDONJSA-N -1 1 386.441 1.044 20 0 GDADMM C[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CN1C(=O)COc1ccsc1 ZINC001571270228 945633210 /nfs/dbraw/zinc/63/32/10/945633210.db2.gz NXCXVUHCRPFBJO-WDEREUQCSA-N -1 1 386.441 1.199 20 0 GDADMM C[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CN1C(=O)COc1ccsc1 ZINC001571270228 945633212 /nfs/dbraw/zinc/63/32/12/945633212.db2.gz NXCXVUHCRPFBJO-WDEREUQCSA-N -1 1 386.441 1.199 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2Cc3c[nH]nc3C[C@H](C)C2)cc1-c1nn[n-]n1 ZINC001571270701 945640282 /nfs/dbraw/zinc/64/02/82/945640282.db2.gz ZDQBSNGZACJRLM-QMMMGPOBSA-N -1 1 386.441 1.247 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N(C)C2CCN(C(=O)[C@@H](C)C(C)C)CC2)n1 ZINC001571271917 945653811 /nfs/dbraw/zinc/65/38/11/945653811.db2.gz MOIMCIHXZNZHBS-ZDUSSCGKSA-N -1 1 386.504 1.938 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N(C)C2CCN(C(=O)[C@@H](C)C(C)C)CC2)n1 ZINC001571271917 945653818 /nfs/dbraw/zinc/65/38/18/945653818.db2.gz MOIMCIHXZNZHBS-ZDUSSCGKSA-N -1 1 386.504 1.938 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N(C)[C@@H]2CCN(C(=O)[C@H](C)C(C)(C)C)C2)n1 ZINC001571272088 945656554 /nfs/dbraw/zinc/65/65/54/945656554.db2.gz PCCJYFMXVFWFIF-QWHCGFSZSA-N -1 1 386.504 1.938 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N(C)[C@@H]2CCN(C(=O)[C@H](C)C(C)(C)C)C2)n1 ZINC001571272088 945656564 /nfs/dbraw/zinc/65/65/64/945656564.db2.gz PCCJYFMXVFWFIF-QWHCGFSZSA-N -1 1 386.504 1.938 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NCC[C@@H]2CCCCN2C(=O)[C@@H]2CCOC2)n1 ZINC001571272209 945657563 /nfs/dbraw/zinc/65/75/63/945657563.db2.gz BBHHKIGLJVDTJY-KGLIPLIRSA-N -1 1 386.460 1.185 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NCC[C@@H]2CCCCN2C(=O)[C@@H]2CCOC2)n1 ZINC001571272209 945657567 /nfs/dbraw/zinc/65/75/67/945657567.db2.gz BBHHKIGLJVDTJY-KGLIPLIRSA-N -1 1 386.460 1.185 20 0 GDADMM O=C(CC1CCCC1)N1CCCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571272203 945658079 /nfs/dbraw/zinc/65/80/79/945658079.db2.gz AWXIFFVALVNFKK-CQSZACIVSA-N -1 1 386.460 1.266 20 0 GDADMM O=C(CC1CCCC1)N1CCCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571272203 945658090 /nfs/dbraw/zinc/65/80/90/945658090.db2.gz AWXIFFVALVNFKK-CQSZACIVSA-N -1 1 386.460 1.266 20 0 GDADMM O=C(N[C@H]1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)CC1)C1CCC(O)CC1 ZINC001571273505 945689731 /nfs/dbraw/zinc/68/97/31/945689731.db2.gz YSEIWDKVMPZZPX-AEBJDNRDSA-N -1 1 386.460 1.047 20 0 GDADMM O=C(N[C@H]1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)CC1)C1CCC(O)CC1 ZINC001571273505 945689741 /nfs/dbraw/zinc/68/97/41/945689741.db2.gz YSEIWDKVMPZZPX-AEBJDNRDSA-N -1 1 386.460 1.047 20 0 GDADMM O=C(c1cccnc1C(F)F)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571274591 945697244 /nfs/dbraw/zinc/69/72/44/945697244.db2.gz IGXUPXASTZFWMA-VIFPVBQESA-N -1 1 387.354 1.316 20 0 GDADMM O=C(c1cccnc1C(F)F)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571274591 945697250 /nfs/dbraw/zinc/69/72/50/945697250.db2.gz IGXUPXASTZFWMA-VIFPVBQESA-N -1 1 387.354 1.316 20 0 GDADMM CC1(C(=O)N[C@@H]2CCC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CCOCC1 ZINC001571276093 945722555 /nfs/dbraw/zinc/72/25/55/945722555.db2.gz HBWMXXZOMOLFRE-QWHCGFSZSA-N -1 1 386.460 1.313 20 0 GDADMM CC1(C(=O)N[C@@H]2CCC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CCOCC1 ZINC001571276093 945722560 /nfs/dbraw/zinc/72/25/60/945722560.db2.gz HBWMXXZOMOLFRE-QWHCGFSZSA-N -1 1 386.460 1.313 20 0 GDADMM CC1(C)CO[C@H](CCC(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571276606 945732743 /nfs/dbraw/zinc/73/27/43/945732743.db2.gz JMAOPLSUNSTGAX-QWHCGFSZSA-N -1 1 386.460 1.265 20 0 GDADMM CC1(C)CO[C@H](CCC(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571276606 945732751 /nfs/dbraw/zinc/73/27/51/945732751.db2.gz JMAOPLSUNSTGAX-QWHCGFSZSA-N -1 1 386.460 1.265 20 0 GDADMM CC[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571278969 945765028 /nfs/dbraw/zinc/76/50/28/945765028.db2.gz TVTNYJGARRRQIA-MCIONIFRSA-N -1 1 386.460 1.265 20 0 GDADMM CC[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571278969 945765035 /nfs/dbraw/zinc/76/50/35/945765035.db2.gz TVTNYJGARRRQIA-MCIONIFRSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)CC1)[C@H]1CCCO1 ZINC001571279641 945784453 /nfs/dbraw/zinc/78/44/53/945784453.db2.gz XHBBCQWQBZKBKS-RGCMKSIDSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)CC1)[C@H]1CCCO1 ZINC001571279641 945784461 /nfs/dbraw/zinc/78/44/61/945784461.db2.gz XHBBCQWQBZKBKS-RGCMKSIDSA-N -1 1 386.460 1.311 20 0 GDADMM CC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573454020 945873019 /nfs/dbraw/zinc/87/30/19/945873019.db2.gz UNGOWPOVPPWFOS-PHDIDXHHSA-N -1 1 381.771 1.798 20 0 GDADMM CC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573454020 945873037 /nfs/dbraw/zinc/87/30/37/945873037.db2.gz UNGOWPOVPPWFOS-PHDIDXHHSA-N -1 1 381.771 1.798 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCCc2cc(F)ccc2F)cc1-c1nn[n-]n1 ZINC000821979884 945915459 /nfs/dbraw/zinc/91/54/59/945915459.db2.gz ZZIUFPDHPKWPBX-UHFFFAOYSA-N -1 1 392.391 1.940 20 0 GDADMM CC(C)(C)OC(=O)NC1(CNC(=O)Nc2ccnc(-c3nnn[n-]3)c2)CCC1 ZINC001571286378 945945897 /nfs/dbraw/zinc/94/58/97/945945897.db2.gz GDARKEQEXADBKK-UHFFFAOYSA-N -1 1 388.432 1.831 20 0 GDADMM CC(C)(C)OC(=O)NC1(CNC(=O)Nc2ccnc(-c3nn[n-]n3)c2)CCC1 ZINC001571286378 945945902 /nfs/dbraw/zinc/94/59/02/945945902.db2.gz GDARKEQEXADBKK-UHFFFAOYSA-N -1 1 388.432 1.831 20 0 GDADMM O=C(N[C@@H]1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1)c1ccc(F)s1 ZINC001571287407 945973671 /nfs/dbraw/zinc/97/36/71/945973671.db2.gz DAZOVATVHWCBOP-VHSXEESVSA-N -1 1 388.432 1.868 20 0 GDADMM O=C(N[C@@H]1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1)c1ccc(F)s1 ZINC001571287407 945973679 /nfs/dbraw/zinc/97/36/79/945973679.db2.gz DAZOVATVHWCBOP-VHSXEESVSA-N -1 1 388.432 1.868 20 0 GDADMM CC1(C)CN(C(=O)C2CCC(F)CC2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571288330 945985550 /nfs/dbraw/zinc/98/55/50/945985550.db2.gz OHPQABJBGJIISE-ORHYLEIMSA-N -1 1 388.451 1.834 20 0 GDADMM CC1(C)CN(C(=O)C2CCC(F)CC2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571288330 945985555 /nfs/dbraw/zinc/98/55/55/945985555.db2.gz OHPQABJBGJIISE-ORHYLEIMSA-N -1 1 388.451 1.834 20 0 GDADMM Cc1nc(C(=O)N[C@@H]2CC[C@H](C)N(c3snc(C)c3-c3nn[n-]n3)C2)co1 ZINC001571289414 946007834 /nfs/dbraw/zinc/00/78/34/946007834.db2.gz CKWJVQGKZNBMST-GZMMTYOYSA-N -1 1 388.457 1.715 20 0 GDADMM CO[C@H](C(=O)N1C[C@@H](C)[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1)C(C)C ZINC001571289648 946013297 /nfs/dbraw/zinc/01/32/97/946013297.db2.gz JIWAGWONVCOMMX-IOASZLSFSA-N -1 1 388.476 1.224 20 0 GDADMM CO[C@H](C(=O)N1C[C@@H](C)[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001571289648 946013307 /nfs/dbraw/zinc/01/33/07/946013307.db2.gz JIWAGWONVCOMMX-IOASZLSFSA-N -1 1 388.476 1.224 20 0 GDADMM O=C(N1CCC[C@@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1)C1(F)CCCC1 ZINC001571289902 946024384 /nfs/dbraw/zinc/02/43/84/946024384.db2.gz PIBGRKLXNCXSKR-ZDUSSCGKSA-N -1 1 388.451 1.980 20 0 GDADMM O=C(N1CCC[C@@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1)C1(F)CCCC1 ZINC001571289902 946024393 /nfs/dbraw/zinc/02/43/93/946024393.db2.gz PIBGRKLXNCXSKR-ZDUSSCGKSA-N -1 1 388.451 1.980 20 0 GDADMM Cc1ncoc1C(=O)N[C@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)[C@H]1C ZINC001571290015 946026068 /nfs/dbraw/zinc/02/60/68/946026068.db2.gz SMPHPSWIBUSAHP-QWRGUYRKSA-N -1 1 388.457 1.715 20 0 GDADMM Cc1nsc(N2CC[C@@H](NC(=O)c3conc3C(C)C)C2)c1-c1nn[n-]n1 ZINC001571290249 946034807 /nfs/dbraw/zinc/03/48/07/946034807.db2.gz YLXWIBACPVEUAD-SNVBAGLBSA-N -1 1 388.457 1.752 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](CNC(=O)c3ccc(Cl)o3)C2)n1 ZINC001571290316 946038670 /nfs/dbraw/zinc/03/86/70/946038670.db2.gz AJWZLGNLOBWLJE-JTQLQIEISA-N -1 1 388.819 1.468 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](CNC(=O)c3ccc(Cl)o3)C2)n1 ZINC001571290316 946038687 /nfs/dbraw/zinc/03/86/87/946038687.db2.gz AJWZLGNLOBWLJE-JTQLQIEISA-N -1 1 388.819 1.468 20 0 GDADMM CS[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571290452 946040550 /nfs/dbraw/zinc/04/05/50/946040550.db2.gz FLLUYCCVJKBNDP-PRXAMGSTSA-N -1 1 388.501 1.449 20 0 GDADMM CS[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571290452 946040559 /nfs/dbraw/zinc/04/05/59/946040559.db2.gz FLLUYCCVJKBNDP-PRXAMGSTSA-N -1 1 388.501 1.449 20 0 GDADMM C[C@@H]1C[C@H](NC(=O)c2occc2Cl)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571290537 946048368 /nfs/dbraw/zinc/04/83/68/946048368.db2.gz IINPOMCSGHRKKG-NXEZZACHSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@@H]1C[C@H](NC(=O)c2occc2Cl)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571290537 946048381 /nfs/dbraw/zinc/04/83/81/946048381.db2.gz IINPOMCSGHRKKG-NXEZZACHSA-N -1 1 388.819 1.690 20 0 GDADMM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cc(F)cc(Cl)c1 ZINC001571290770 946055171 /nfs/dbraw/zinc/05/51/71/946055171.db2.gz OJXRVKXFHNJQDF-GFCCVEGCSA-N -1 1 388.794 1.458 20 0 GDADMM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cc(F)cc(Cl)c1 ZINC001571290770 946055184 /nfs/dbraw/zinc/05/51/84/946055184.db2.gz OJXRVKXFHNJQDF-GFCCVEGCSA-N -1 1 388.794 1.458 20 0 GDADMM Cn1cc([C@@H]2C[C@H]2C(=O)Nc2ccc(Br)c(-c3nnn[n-]3)n2)cn1 ZINC001571290990 946064144 /nfs/dbraw/zinc/06/41/44/946064144.db2.gz WXWVUGFZYIDXOJ-DTWKUNHWSA-N -1 1 389.217 1.500 20 0 GDADMM Cn1cc([C@@H]2C[C@H]2C(=O)Nc2ccc(Br)c(-c3nn[n-]n3)n2)cn1 ZINC001571290990 946064156 /nfs/dbraw/zinc/06/41/56/946064156.db2.gz WXWVUGFZYIDXOJ-DTWKUNHWSA-N -1 1 389.217 1.500 20 0 GDADMM Cc1nsc(NC[C@H]2CN(C(=O)c3cnon3)CC[C@@H]2C)c1-c1nn[n-]n1 ZINC001571293511 946107940 /nfs/dbraw/zinc/10/79/40/946107940.db2.gz KBHOCOKFEGVZRF-WPRPVWTQSA-N -1 1 389.445 1.225 20 0 GDADMM Cc1nonc1C(=O)N1C[C@H](Nc2snc(C)c2-c2nn[n-]n2)C(C)(C)C1 ZINC001571293690 946113179 /nfs/dbraw/zinc/11/31/79/946113179.db2.gz PIMQCYQRRNTMBS-VIFPVBQESA-N -1 1 389.445 1.286 20 0 GDADMM Cc1nn(C)c(NC(=O)CCS(=O)(=O)c2ccc(C)cc2)c1-c1nnn[n-]1 ZINC001571293674 946113601 /nfs/dbraw/zinc/11/36/01/946113601.db2.gz OVNXASLRAZAXFJ-UHFFFAOYSA-N -1 1 389.441 1.020 20 0 GDADMM Cc1nn(C)c(NC(=O)CCS(=O)(=O)c2ccc(C)cc2)c1-c1nn[n-]n1 ZINC001571293674 946113608 /nfs/dbraw/zinc/11/36/08/946113608.db2.gz OVNXASLRAZAXFJ-UHFFFAOYSA-N -1 1 389.441 1.020 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1NC(=O)c1ccc(C(F)F)o1 ZINC001571294473 946136746 /nfs/dbraw/zinc/13/67/46/946136746.db2.gz IFIVJNZVNGCYJL-RKDXNWHRSA-N -1 1 390.354 1.442 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1NC(=O)c1ccc(C(F)F)o1 ZINC001571294473 946136751 /nfs/dbraw/zinc/13/67/51/946136751.db2.gz IFIVJNZVNGCYJL-RKDXNWHRSA-N -1 1 390.354 1.442 20 0 GDADMM C[C@]1(NC(=O)c2ccc(C(F)F)o2)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571294919 946148408 /nfs/dbraw/zinc/14/84/08/946148408.db2.gz PUOOPWITTHNSOV-INIZCTEOSA-N -1 1 390.354 1.586 20 0 GDADMM C[C@]1(NC(=O)c2ccc(C(F)F)o2)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571294919 946148410 /nfs/dbraw/zinc/14/84/10/946148410.db2.gz PUOOPWITTHNSOV-INIZCTEOSA-N -1 1 390.354 1.586 20 0 GDADMM O=C(c1ccc(C(F)F)o1)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571295375 946162583 /nfs/dbraw/zinc/16/25/83/946162583.db2.gz ZBGPWAQFVAPUOA-SECBINFHSA-N -1 1 390.354 1.904 20 0 GDADMM O=C(c1ccc(C(F)F)o1)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571295375 946162588 /nfs/dbraw/zinc/16/25/88/946162588.db2.gz ZBGPWAQFVAPUOA-SECBINFHSA-N -1 1 390.354 1.904 20 0 GDADMM CCOC(=O)[C@H](CCCC(C)C)NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001571296173 946186968 /nfs/dbraw/zinc/18/69/68/946186968.db2.gz PRDPVMOOKVLOBK-ZDUSSCGKSA-N -1 1 390.444 1.764 20 0 GDADMM Cc1ccccc1C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001571298834 946230939 /nfs/dbraw/zinc/23/09/39/946230939.db2.gz KXLAEKGXEJTNDC-KKUMJFAQSA-N -1 1 390.451 1.752 20 0 GDADMM Cc1ccccc1C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001571298834 946230952 /nfs/dbraw/zinc/23/09/52/946230952.db2.gz KXLAEKGXEJTNDC-KKUMJFAQSA-N -1 1 390.451 1.752 20 0 GDADMM O=C(N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)c1ccsc1Cl ZINC001571298833 946231549 /nfs/dbraw/zinc/23/15/49/946231549.db2.gz FBWWDNHGAFCMPQ-VIFPVBQESA-N -1 1 390.860 1.770 20 0 GDADMM O=C(N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)c1ccsc1Cl ZINC001571298833 946231560 /nfs/dbraw/zinc/23/15/60/946231560.db2.gz FBWWDNHGAFCMPQ-VIFPVBQESA-N -1 1 390.860 1.770 20 0 GDADMM Cc1nsc(N2C[C@@H](NC(=O)c3ccns3)C(C)(C)C2)c1-c1nn[n-]n1 ZINC001571299106 946241004 /nfs/dbraw/zinc/24/10/04/946241004.db2.gz UJLMULULJYOGFE-SNVBAGLBSA-N -1 1 390.498 1.733 20 0 GDADMM Cc1[nH]nc(NC(=O)[C@H]2CC(c3cccc(Cl)c3F)=NO2)c1-c1nn[n-]n1 ZINC001571299402 946248673 /nfs/dbraw/zinc/24/86/73/946248673.db2.gz MPUWPNFPYOUICZ-SNVBAGLBSA-N -1 1 390.766 1.822 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]32)c(C)c1 ZINC001571299496 946252272 /nfs/dbraw/zinc/25/22/72/946252272.db2.gz SMVHHYOBUHSWQA-GOEBONIOSA-N -1 1 390.451 1.624 20 0 GDADMM CC(=O)N[C@@H](CC(=O)NCc1ccnc(-c2nnn[n-]2)c1)c1ccc(C)cc1 ZINC001573487826 946260103 /nfs/dbraw/zinc/26/01/03/946260103.db2.gz UKQXPSNZWPPIKZ-INIZCTEOSA-N -1 1 379.424 1.454 20 0 GDADMM CC(=O)N[C@@H](CC(=O)NCc1ccnc(-c2nn[n-]n2)c1)c1ccc(C)cc1 ZINC001573487826 946260108 /nfs/dbraw/zinc/26/01/08/946260108.db2.gz UKQXPSNZWPPIKZ-INIZCTEOSA-N -1 1 379.424 1.454 20 0 GDADMM CC[C@H](SC)C(=O)N1CCC(CC)(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571300093 946271713 /nfs/dbraw/zinc/27/17/13/946271713.db2.gz UQGBWTPHEKUFJD-ZDUSSCGKSA-N -1 1 390.517 1.981 20 0 GDADMM CC[C@H](SC)C(=O)N1CCC(CC)(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571300093 946271721 /nfs/dbraw/zinc/27/17/21/946271721.db2.gz UQGBWTPHEKUFJD-ZDUSSCGKSA-N -1 1 390.517 1.981 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(Cl)s1 ZINC001571300284 946277280 /nfs/dbraw/zinc/27/72/80/946277280.db2.gz YVFWAGMVAQGZKM-BDAKNGLRSA-N -1 1 390.860 1.509 20 0 GDADMM C[C@]1(NC(=O)c2ccncc2)CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571300273 946278220 /nfs/dbraw/zinc/27/82/20/946278220.db2.gz YQFNDUQTWJYTCQ-HNNXBMFYSA-N -1 1 390.860 1.770 20 0 GDADMM C[C@]1(NC(=O)c2ccncc2)CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571300273 946278233 /nfs/dbraw/zinc/27/82/33/946278233.db2.gz YQFNDUQTWJYTCQ-HNNXBMFYSA-N -1 1 390.860 1.770 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@H](NC(=O)c3ccnc(C4CC4)c3)C2)n1 ZINC001571302664 946310067 /nfs/dbraw/zinc/31/00/67/946310067.db2.gz DWZDHGXNZCJRLK-HDJSIYSDSA-N -1 1 391.439 1.610 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@H](NC(=O)c3ccnc(C4CC4)c3)C2)n1 ZINC001571302664 946310076 /nfs/dbraw/zinc/31/00/76/946310076.db2.gz DWZDHGXNZCJRLK-HDJSIYSDSA-N -1 1 391.439 1.610 20 0 GDADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)[C@@H](c1ccccc1)N1CCCCC1=O ZINC001571303347 946333346 /nfs/dbraw/zinc/33/33/46/946333346.db2.gz KVPGZLRUXJMFCR-GOSISDBHSA-N -1 1 391.435 1.632 20 0 GDADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)[C@@H](c1ccccc1)N1CCCCC1=O ZINC001571303347 946333360 /nfs/dbraw/zinc/33/33/60/946333360.db2.gz KVPGZLRUXJMFCR-GOSISDBHSA-N -1 1 391.435 1.632 20 0 GDADMM Cc1cccc(C(=O)N[C@@H]2CC23CCN(c2cncc(-c4nnn[n-]4)n2)CC3)n1 ZINC001571303355 946334718 /nfs/dbraw/zinc/33/47/18/946334718.db2.gz PBQQSGLLRVXHJB-OAHLLOKOSA-N -1 1 391.439 1.149 20 0 GDADMM Cc1cccc(C(=O)N[C@@H]2CC23CCN(c2cncc(-c4nn[n-]n4)n2)CC3)n1 ZINC001571303355 946334726 /nfs/dbraw/zinc/33/47/26/946334726.db2.gz PBQQSGLLRVXHJB-OAHLLOKOSA-N -1 1 391.439 1.149 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1csc(Cl)n1 ZINC001571305551 946366830 /nfs/dbraw/zinc/36/68/30/946366830.db2.gz DZIUJRUZEZAQDV-OCAPTIKFSA-N -1 1 391.848 1.387 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1csc(Cl)n1 ZINC001571305551 946366838 /nfs/dbraw/zinc/36/68/38/946366838.db2.gz DZIUJRUZEZAQDV-OCAPTIKFSA-N -1 1 391.848 1.387 20 0 GDADMM O=C(c1nc(Cl)cs1)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571305662 946369080 /nfs/dbraw/zinc/36/90/80/946369080.db2.gz IRAYAUSYTXTKHF-MRVPVSSYSA-N -1 1 391.848 1.483 20 0 GDADMM O=C(c1nc(Cl)cs1)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571305662 946369092 /nfs/dbraw/zinc/36/90/92/946369092.db2.gz IRAYAUSYTXTKHF-MRVPVSSYSA-N -1 1 391.848 1.483 20 0 GDADMM Cc1nsc(N[C@@H](C)[C@@H]2CCN(C(=O)CC3(O)CCC3)C2)c1-c1nn[n-]n1 ZINC001571305599 946369553 /nfs/dbraw/zinc/36/95/53/946369553.db2.gz HAEALIVZENUIOP-CMPLNLGQSA-N -1 1 391.501 1.586 20 0 GDADMM Cc1nsc(NC[C@H]2CC[C@@H](NC(=O)c3cnsn3)C2)c1-c1nn[n-]n1 ZINC001571306505 946402842 /nfs/dbraw/zinc/40/28/42/946402842.db2.gz VWYXSQCHASBAAQ-DTWKUNHWSA-N -1 1 391.486 1.494 20 0 GDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000823379721 946418994 /nfs/dbraw/zinc/41/89/94/946418994.db2.gz GDOJFMUPPUQSIL-QMMMGPOBSA-N -1 1 389.828 1.968 20 0 GDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000823379721 946418999 /nfs/dbraw/zinc/41/89/99/946418999.db2.gz GDOJFMUPPUQSIL-QMMMGPOBSA-N -1 1 389.828 1.968 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000823396670 946425233 /nfs/dbraw/zinc/42/52/33/946425233.db2.gz MCXDFPQUJGUTHB-MRVPVSSYSA-N -1 1 389.359 1.886 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000823396670 946425238 /nfs/dbraw/zinc/42/52/38/946425238.db2.gz MCXDFPQUJGUTHB-MRVPVSSYSA-N -1 1 389.359 1.886 20 0 GDADMM O=C([C@@H]1CCC(F)(F)C1)N1CCC(CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001571307569 946425435 /nfs/dbraw/zinc/42/54/35/946425435.db2.gz FHMMEAMWUZZILH-GFCCVEGCSA-N -1 1 392.414 1.743 20 0 GDADMM O=C([C@@H]1CCC(F)(F)C1)N1CCC(CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001571307569 946425439 /nfs/dbraw/zinc/42/54/39/946425439.db2.gz FHMMEAMWUZZILH-GFCCVEGCSA-N -1 1 392.414 1.743 20 0 GDADMM O=C(c1ccsc1C(F)F)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571307846 946427708 /nfs/dbraw/zinc/42/77/08/946427708.db2.gz HWIQBTDLWKZZSU-MRVPVSSYSA-N -1 1 392.395 1.982 20 0 GDADMM O=C(c1ccsc1C(F)F)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571307846 946427712 /nfs/dbraw/zinc/42/77/12/946427712.db2.gz HWIQBTDLWKZZSU-MRVPVSSYSA-N -1 1 392.395 1.982 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)C3(C(C)(F)F)CC3)C2)cc(-c2nnn[n-]2)n1 ZINC001571308308 946431326 /nfs/dbraw/zinc/43/13/26/946431326.db2.gz OFQBZMLIIWYLOT-SNVBAGLBSA-N -1 1 392.414 1.667 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)C3(C(C)(F)F)CC3)C2)cc(-c2nn[n-]n2)n1 ZINC001571308308 946431330 /nfs/dbraw/zinc/43/13/30/946431330.db2.gz OFQBZMLIIWYLOT-SNVBAGLBSA-N -1 1 392.414 1.667 20 0 GDADMM CN(c1cncc(-c2nnn[n-]2)n1)C1CCN(C(=O)CC2CC(F)(F)C2)CC1 ZINC001571308417 946433503 /nfs/dbraw/zinc/43/35/03/946433503.db2.gz PXVBUNRSYXTJAP-UHFFFAOYSA-N -1 1 392.414 1.519 20 0 GDADMM CN(c1cncc(-c2nn[n-]n2)n1)C1CCN(C(=O)CC2CC(F)(F)C2)CC1 ZINC001571308417 946433506 /nfs/dbraw/zinc/43/35/06/946433506.db2.gz PXVBUNRSYXTJAP-UHFFFAOYSA-N -1 1 392.414 1.519 20 0 GDADMM CC[C@H]1CN(C(=O)C2CC(F)(F)C2)CC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571308602 946436356 /nfs/dbraw/zinc/43/63/56/946436356.db2.gz SEQLBQULGIYSGP-CMPLNLGQSA-N -1 1 392.414 1.741 20 0 GDADMM CC[C@H]1CN(C(=O)C2CC(F)(F)C2)CC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571308602 946436358 /nfs/dbraw/zinc/43/63/58/946436358.db2.gz SEQLBQULGIYSGP-CMPLNLGQSA-N -1 1 392.414 1.741 20 0 GDADMM CN(c1nccnc1-c1nnn[n-]1)C1CCN(C(=O)C2(C(F)F)CCC2)CC1 ZINC001571309083 946439733 /nfs/dbraw/zinc/43/97/33/946439733.db2.gz WPJCKIHHUALSMP-UHFFFAOYSA-N -1 1 392.414 1.519 20 0 GDADMM CN(c1nccnc1-c1nn[n-]n1)C1CCN(C(=O)C2(C(F)F)CCC2)CC1 ZINC001571309083 946439741 /nfs/dbraw/zinc/43/97/41/946439741.db2.gz WPJCKIHHUALSMP-UHFFFAOYSA-N -1 1 392.414 1.519 20 0 GDADMM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1NC(=O)[C@H]1CCCCC1(F)F ZINC001571309197 946442281 /nfs/dbraw/zinc/44/22/81/946442281.db2.gz XLOGYCHZAQMZJI-NQBHXWOUSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1NC(=O)[C@H]1CCCCC1(F)F ZINC001571309197 946442285 /nfs/dbraw/zinc/44/22/85/946442285.db2.gz XLOGYCHZAQMZJI-NQBHXWOUSA-N -1 1 392.414 1.423 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CC[C@@H]21 ZINC001571309420 946444608 /nfs/dbraw/zinc/44/46/08/946444608.db2.gz ZNMUHWGHVXZQPV-RYUDHWBXSA-N -1 1 392.414 1.519 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)[C@@H]1CCCC(F)(F)C1 ZINC001571309474 946444730 /nfs/dbraw/zinc/44/47/30/946444730.db2.gz BCFPDLMLKTUXSF-NEPJUHHUSA-N -1 1 392.414 1.567 20 0 GDADMM O=C(NCC1CCN(c2nccnc2-c2nnn[n-]2)CC1)[C@@H]1CCC(F)(F)C1 ZINC001571309544 946446540 /nfs/dbraw/zinc/44/65/40/946446540.db2.gz CXYVOKZQEWSODQ-GFCCVEGCSA-N -1 1 392.414 1.425 20 0 GDADMM O=C(NCC1CCN(c2nccnc2-c2nn[n-]n2)CC1)[C@@H]1CCC(F)(F)C1 ZINC001571309544 946446544 /nfs/dbraw/zinc/44/65/44/946446544.db2.gz CXYVOKZQEWSODQ-GFCCVEGCSA-N -1 1 392.414 1.425 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCO[C@@H](c2ccco2)C1 ZINC000823606896 946453884 /nfs/dbraw/zinc/45/38/84/946453884.db2.gz OVLCADXBTUNLIG-GFCCVEGCSA-N -1 1 379.373 1.361 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCO[C@@H](c2ccco2)C1 ZINC000823606896 946453889 /nfs/dbraw/zinc/45/38/89/946453889.db2.gz OVLCADXBTUNLIG-GFCCVEGCSA-N -1 1 379.373 1.361 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ccc3c(c2)COC3)CCN1c1nccnc1-c1nnn[n-]1 ZINC001571310165 946463417 /nfs/dbraw/zinc/46/34/17/946463417.db2.gz XLDNLUIHQZNISQ-ABAIWWIYSA-N -1 1 392.423 1.084 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ccc3c(c2)COC3)CCN1c1nccnc1-c1nn[n-]n1 ZINC001571310165 946463419 /nfs/dbraw/zinc/46/34/19/946463419.db2.gz XLDNLUIHQZNISQ-ABAIWWIYSA-N -1 1 392.423 1.084 20 0 GDADMM CCc1ccccc1CC(=O)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571312691 946497586 /nfs/dbraw/zinc/49/75/86/946497586.db2.gz ALXCKLKQLUVMDQ-MRXNPFEDSA-N -1 1 392.467 1.865 20 0 GDADMM CCc1ccccc1CC(=O)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571312691 946497590 /nfs/dbraw/zinc/49/75/90/946497590.db2.gz ALXCKLKQLUVMDQ-MRXNPFEDSA-N -1 1 392.467 1.865 20 0 GDADMM O=C(c1cnc(C2CC2)nc1)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571313577 946525018 /nfs/dbraw/zinc/52/50/18/946525018.db2.gz SAHWEQPWVRVWFL-CYBMUJFWSA-N -1 1 392.427 1.041 20 0 GDADMM O=C(c1cnc(C2CC2)nc1)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571313577 946525030 /nfs/dbraw/zinc/52/50/30/946525030.db2.gz SAHWEQPWVRVWFL-CYBMUJFWSA-N -1 1 392.427 1.041 20 0 GDADMM CC(=O)N[C@@H](CC(C)C)C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000823994723 946536395 /nfs/dbraw/zinc/53/63/95/946536395.db2.gz NMZPBFUNNPZFBN-LBPRGKRZSA-N -1 1 392.416 1.109 20 0 GDADMM O=C(c1cnc(C2CC2)nc1)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571313924 946536709 /nfs/dbraw/zinc/53/67/09/946536709.db2.gz XNYULKYJQLFYOH-CYBMUJFWSA-N -1 1 392.427 1.041 20 0 GDADMM O=C(c1cnc(C2CC2)nc1)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571313924 946536716 /nfs/dbraw/zinc/53/67/16/946536716.db2.gz XNYULKYJQLFYOH-CYBMUJFWSA-N -1 1 392.427 1.041 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)Cc3ccccc3)[C@H](C)C2)n1 ZINC001571314686 946541788 /nfs/dbraw/zinc/54/17/88/946541788.db2.gz ADJHQOOJEHHADZ-GDBMZVCRSA-N -1 1 392.467 1.999 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)Cc3ccccc3)[C@H](C)C2)n1 ZINC001571314686 946541796 /nfs/dbraw/zinc/54/17/96/946541796.db2.gz ADJHQOOJEHHADZ-GDBMZVCRSA-N -1 1 392.467 1.999 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)CC2(C)C)cc1C ZINC001571315280 946550933 /nfs/dbraw/zinc/55/09/33/946550933.db2.gz ISJFSORNSLTXTR-MRXNPFEDSA-N -1 1 392.467 1.918 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)CC2(C)C)cc1C ZINC001571315280 946550938 /nfs/dbraw/zinc/55/09/38/946550938.db2.gz ISJFSORNSLTXTR-MRXNPFEDSA-N -1 1 392.467 1.918 20 0 GDADMM Cc1cccc([C@@H](C)C(=O)N2CCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571316301 946571585 /nfs/dbraw/zinc/57/15/85/946571585.db2.gz YSEQMLRTBNODJT-GDBMZVCRSA-N -1 1 392.467 1.594 20 0 GDADMM CC(=O)Nc1cccc(CC(=O)NCc2cc(F)c(-c3nnn[n-]3)c(F)c2)c1 ZINC001573547226 946830974 /nfs/dbraw/zinc/83/09/74/946830974.db2.gz XYPQXQDOXZNKGW-UHFFFAOYSA-N -1 1 386.362 1.962 20 0 GDADMM CC(=O)Nc1cccc(CC(=O)NCc2cc(F)c(-c3nn[n-]n3)c(F)c2)c1 ZINC001573547226 946830987 /nfs/dbraw/zinc/83/09/87/946830987.db2.gz XYPQXQDOXZNKGW-UHFFFAOYSA-N -1 1 386.362 1.962 20 0 GDADMM CC(=O)Nc1nc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)cs1 ZINC001573548731 946856075 /nfs/dbraw/zinc/85/60/75/946856075.db2.gz RVDTWNXLJRJULC-UHFFFAOYSA-N -1 1 375.418 1.485 20 0 GDADMM CC(=O)Nc1nc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)cs1 ZINC001573548731 946856086 /nfs/dbraw/zinc/85/60/86/946856086.db2.gz RVDTWNXLJRJULC-UHFFFAOYSA-N -1 1 375.418 1.485 20 0 GDADMM CC[C@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)[C@@H](O)c1c(F)cccc1F ZINC000825132973 947092612 /nfs/dbraw/zinc/09/26/12/947092612.db2.gz GOZNRGKZMGXAAP-MEDUHNTESA-N -1 1 392.366 1.612 20 0 GDADMM CC[C@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)[C@@H](O)c1c(F)cccc1F ZINC000825132973 947092622 /nfs/dbraw/zinc/09/26/22/947092622.db2.gz GOZNRGKZMGXAAP-MEDUHNTESA-N -1 1 392.366 1.612 20 0 GDADMM CC[C@@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)[C@@H](O)c1c(F)cccc1F ZINC000825132971 947093014 /nfs/dbraw/zinc/09/30/14/947093014.db2.gz GOZNRGKZMGXAAP-BDJLRTHQSA-N -1 1 392.366 1.612 20 0 GDADMM CC[C@@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)[C@@H](O)c1c(F)cccc1F ZINC000825132971 947093022 /nfs/dbraw/zinc/09/30/22/947093022.db2.gz GOZNRGKZMGXAAP-BDJLRTHQSA-N -1 1 392.366 1.612 20 0 GDADMM CCCN(CCNC(=O)Cc1noc(C)c1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC000825313453 947148261 /nfs/dbraw/zinc/14/82/61/947148261.db2.gz GAPJUSUMCIGYTQ-UHFFFAOYSA-N -1 1 393.448 1.469 20 0 GDADMM CCCN(CCNC(=O)Cc1noc(C)c1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC000825313453 947148265 /nfs/dbraw/zinc/14/82/65/947148265.db2.gz GAPJUSUMCIGYTQ-UHFFFAOYSA-N -1 1 393.448 1.469 20 0 GDADMM C=C/C(C)=C/CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001573315540 947255002 /nfs/dbraw/zinc/25/50/02/947255002.db2.gz CQOULWFIMXMCPM-SHQCDXMNSA-N -1 1 380.456 1.653 20 0 GDADMM C=C/C(C)=C/CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001573315540 947255014 /nfs/dbraw/zinc/25/50/14/947255014.db2.gz CQOULWFIMXMCPM-SHQCDXMNSA-N -1 1 380.456 1.653 20 0 GDADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1cncc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001573593372 947366902 /nfs/dbraw/zinc/36/69/02/947366902.db2.gz SDPBICFLSVCOOB-VIFPVBQESA-N -1 1 386.382 1.752 20 0 GDADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1cncc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573593372 947366916 /nfs/dbraw/zinc/36/69/16/947366916.db2.gz SDPBICFLSVCOOB-VIFPVBQESA-N -1 1 386.382 1.752 20 0 GDADMM CO[C@@H]1[C@@H](C)[C@@H](NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C1(C)C ZINC000826144253 947452494 /nfs/dbraw/zinc/45/24/94/947452494.db2.gz FPMTYSPXTCWADS-AMKSKSKJSA-N -1 1 388.472 1.692 20 0 GDADMM CC(C)N(CCN(C)c1ccc(-c2nnn[n-]2)nn1)C(=O)[C@H](C)[C@H]1CCCO1 ZINC001573604719 947516370 /nfs/dbraw/zinc/51/63/70/947516370.db2.gz QHHJDGUMNIWDBU-UKRRQHHQSA-N -1 1 388.476 1.145 20 0 GDADMM CC(C)N(CCN(C)c1ccc(-c2nn[n-]n2)nn1)C(=O)[C@H](C)[C@H]1CCCO1 ZINC001573604719 947516378 /nfs/dbraw/zinc/51/63/78/947516378.db2.gz QHHJDGUMNIWDBU-UKRRQHHQSA-N -1 1 388.476 1.145 20 0 GDADMM COc1cc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)ccc1N1CCCC1=O ZINC000826180330 947559238 /nfs/dbraw/zinc/55/92/38/947559238.db2.gz CBOFHSSBBBYYRT-UHFFFAOYSA-N -1 1 397.395 1.480 20 0 GDADMM COc1cc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)ccc1N1CCCC1=O ZINC000826180330 947559245 /nfs/dbraw/zinc/55/92/45/947559245.db2.gz CBOFHSSBBBYYRT-UHFFFAOYSA-N -1 1 397.395 1.480 20 0 GDADMM C[C@H](C(=O)N1C[C@H](Nc2nccnc2-c2nnn[n-]2)C(C)(C)C1)n1cccc1 ZINC001573613799 947571821 /nfs/dbraw/zinc/57/18/21/947571821.db2.gz JCKJCIQOKJNZBG-OLZOCXBDSA-N -1 1 381.444 1.368 20 0 GDADMM C[C@H](C(=O)N1C[C@H](Nc2nccnc2-c2nn[n-]n2)C(C)(C)C1)n1cccc1 ZINC001573613799 947571826 /nfs/dbraw/zinc/57/18/26/947571826.db2.gz JCKJCIQOKJNZBG-OLZOCXBDSA-N -1 1 381.444 1.368 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001573616284 947620443 /nfs/dbraw/zinc/62/04/43/947620443.db2.gz MNQKODUOMPIDHT-ZJUUUORDSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573616284 947620448 /nfs/dbraw/zinc/62/04/48/947620448.db2.gz MNQKODUOMPIDHT-ZJUUUORDSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@H](C(=O)N1CCC(C)(Nc2cncc(-c3nnn[n-]3)n2)CC1)[C@@H]1CCCO1 ZINC001573616754 947628160 /nfs/dbraw/zinc/62/81/60/947628160.db2.gz NLDFJNKKJRZDKL-JSGCOSHPSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H](C(=O)N1CCC(C)(Nc2cncc(-c3nn[n-]n3)n2)CC1)[C@@H]1CCCO1 ZINC001573616754 947628167 /nfs/dbraw/zinc/62/81/67/947628167.db2.gz NLDFJNKKJRZDKL-JSGCOSHPSA-N -1 1 386.460 1.265 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C2CC2)cc1 ZINC001573355019 947637965 /nfs/dbraw/zinc/63/79/65/947637965.db2.gz KIJKKDHWZDQIPH-OAHLLOKOSA-N -1 1 376.424 1.920 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C2CC2)cc1 ZINC001573355019 947637969 /nfs/dbraw/zinc/63/79/69/947637969.db2.gz KIJKKDHWZDQIPH-OAHLLOKOSA-N -1 1 376.424 1.920 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C2CC2)cc1 ZINC001573355018 947638151 /nfs/dbraw/zinc/63/81/51/947638151.db2.gz KIJKKDHWZDQIPH-HNNXBMFYSA-N -1 1 376.424 1.920 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C2CC2)cc1 ZINC001573355018 947638157 /nfs/dbraw/zinc/63/81/57/947638157.db2.gz KIJKKDHWZDQIPH-HNNXBMFYSA-N -1 1 376.424 1.920 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C2CC2)cc1 ZINC001573355388 947642538 /nfs/dbraw/zinc/64/25/38/947642538.db2.gz OVQJQDDUJAZPHJ-HNNXBMFYSA-N -1 1 376.424 1.342 20 0 GDADMM C=Cc1ccc(C(=O)N2CCO[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001573356591 947652792 /nfs/dbraw/zinc/65/27/92/947652792.db2.gz YQMPLGVFWUCNEG-OAHLLOKOSA-N -1 1 392.423 1.253 20 0 GDADMM C=Cc1ccc(C(=O)N2CCO[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001573356591 947652799 /nfs/dbraw/zinc/65/27/99/947652799.db2.gz YQMPLGVFWUCNEG-OAHLLOKOSA-N -1 1 392.423 1.253 20 0 GDADMM C=Cc1ccc(C(=O)NCC[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001573358601 947666810 /nfs/dbraw/zinc/66/68/10/947666810.db2.gz FYASNXHWIQCXPN-HNNXBMFYSA-N -1 1 390.451 1.946 20 0 GDADMM C=Cc1ccc(C(=O)NCC[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001573358601 947666816 /nfs/dbraw/zinc/66/68/16/947666816.db2.gz FYASNXHWIQCXPN-HNNXBMFYSA-N -1 1 390.451 1.946 20 0 GDADMM C=Cc1ccc(C(=O)NCCN(CCC)c2nccnc2-c2nnn[n-]2)cc1 ZINC001573358629 947667075 /nfs/dbraw/zinc/66/70/75/947667075.db2.gz GJIHLVUFMPOMEN-UHFFFAOYSA-N -1 1 378.440 1.946 20 0 GDADMM C=Cc1ccc(C(=O)NCCN(CCC)c2nccnc2-c2nn[n-]n2)cc1 ZINC001573358629 947667080 /nfs/dbraw/zinc/66/70/80/947667080.db2.gz GJIHLVUFMPOMEN-UHFFFAOYSA-N -1 1 378.440 1.946 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1)c1ccsc1 ZINC001573619700 947669221 /nfs/dbraw/zinc/66/92/21/947669221.db2.gz XLIQYDMBOFKRJZ-VXGBXAGGSA-N -1 1 384.469 1.782 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1)c1ccsc1 ZINC001573619700 947669227 /nfs/dbraw/zinc/66/92/27/947669227.db2.gz XLIQYDMBOFKRJZ-VXGBXAGGSA-N -1 1 384.469 1.782 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1)c1cccs1 ZINC001573619841 947671951 /nfs/dbraw/zinc/67/19/51/947671951.db2.gz YFWNCTLUEVYYEW-NWDGAFQWSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1)c1cccs1 ZINC001573619841 947671956 /nfs/dbraw/zinc/67/19/56/947671956.db2.gz YFWNCTLUEVYYEW-NWDGAFQWSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@@H](C(=O)N1CCC(C)(Nc2ccc(-c3nnn[n-]3)nn2)CC1)C(C)(F)F ZINC001573620295 947678399 /nfs/dbraw/zinc/67/83/99/947678399.db2.gz ZIXVLQFZMGDMBZ-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](C(=O)N1CCC(C)(Nc2ccc(-c3nn[n-]n3)nn2)CC1)C(C)(F)F ZINC001573620295 947678404 /nfs/dbraw/zinc/67/84/04/947678404.db2.gz ZIXVLQFZMGDMBZ-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nnn[n-]2)cc1 ZINC001573359706 947689986 /nfs/dbraw/zinc/68/99/86/947689986.db2.gz ZALSBCGCCUTJAS-OAGGEKHMSA-N -1 1 388.435 1.839 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nn[n-]n2)cc1 ZINC001573359706 947689994 /nfs/dbraw/zinc/68/99/94/947689994.db2.gz ZALSBCGCCUTJAS-OAGGEKHMSA-N -1 1 388.435 1.839 20 0 GDADMM C=Cc1ccc(C(=O)NCC[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001573359693 947690517 /nfs/dbraw/zinc/69/05/17/947690517.db2.gz YHRNUVJFAGWMLY-HNNXBMFYSA-N -1 1 390.451 1.946 20 0 GDADMM C=Cc1ccc(C(=O)NCC[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573359693 947690535 /nfs/dbraw/zinc/69/05/35/947690535.db2.gz YHRNUVJFAGWMLY-HNNXBMFYSA-N -1 1 390.451 1.946 20 0 GDADMM C[C@H](C(=O)N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1)c1cccs1 ZINC001573627091 947716896 /nfs/dbraw/zinc/71/68/96/947716896.db2.gz YOEFVCNYAYVJON-NSHDSACASA-N -1 1 384.469 1.925 20 0 GDADMM C[C@H](C(=O)N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1)c1cccs1 ZINC001573627091 947716904 /nfs/dbraw/zinc/71/69/04/947716904.db2.gz YOEFVCNYAYVJON-NSHDSACASA-N -1 1 384.469 1.925 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1)n1cccc1 ZINC001573627636 947728586 /nfs/dbraw/zinc/72/85/86/947728586.db2.gz DAQALGBTOXONCR-KBPBESRZSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1)n1cccc1 ZINC001573627636 947728589 /nfs/dbraw/zinc/72/85/89/947728589.db2.gz DAQALGBTOXONCR-KBPBESRZSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)c1ccco1 ZINC001573627730 947730913 /nfs/dbraw/zinc/73/09/13/947730913.db2.gz BFHAFHFUMIXYMY-QWHCGFSZSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)c1ccco1 ZINC001573627730 947730915 /nfs/dbraw/zinc/73/09/15/947730915.db2.gz BFHAFHFUMIXYMY-QWHCGFSZSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](CN(C)c2cncc(-c3nnn[n-]3)n2)C1)C1CCC1 ZINC001573627994 947742276 /nfs/dbraw/zinc/74/22/76/947742276.db2.gz DQOLEJCXFIJMPQ-UONOGXRCSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](CN(C)c2cncc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573627994 947742287 /nfs/dbraw/zinc/74/22/87/947742287.db2.gz DQOLEJCXFIJMPQ-UONOGXRCSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](CN(C)c2cnc(-c3nnn[n-]3)cn2)C1)C1CCC1 ZINC001573628220 947748145 /nfs/dbraw/zinc/74/81/45/947748145.db2.gz GRDWEZMKDWZNLG-KBPBESRZSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](CN(C)c2cnc(-c3nn[n-]n3)cn2)C1)C1CCC1 ZINC001573628220 947748149 /nfs/dbraw/zinc/74/81/49/947748149.db2.gz GRDWEZMKDWZNLG-KBPBESRZSA-N -1 1 384.488 1.768 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@@H](C)[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001573368355 947768912 /nfs/dbraw/zinc/76/89/12/947768912.db2.gz NIKIOEILZUPQGM-OCCSQVGLSA-N -1 1 386.460 1.313 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@@H](C)[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001573368355 947768916 /nfs/dbraw/zinc/76/89/16/947768916.db2.gz NIKIOEILZUPQGM-OCCSQVGLSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]2[C@H]1CCN2c1cncc(-c2nnn[n-]2)n1)C(C)(F)F ZINC001573629211 947775275 /nfs/dbraw/zinc/77/52/75/947775275.db2.gz RVFJYZSENOBIKN-RAIGVLPGSA-N -1 1 392.414 1.518 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]2[C@H]1CCN2c1cncc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001573629211 947775284 /nfs/dbraw/zinc/77/52/84/947775284.db2.gz RVFJYZSENOBIKN-RAIGVLPGSA-N -1 1 392.414 1.518 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@H](C)[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573369920 947779581 /nfs/dbraw/zinc/77/95/81/947779581.db2.gz ZKQLXJCLAAFZPU-JSGCOSHPSA-N -1 1 386.460 1.313 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@H](C)[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573369920 947779591 /nfs/dbraw/zinc/77/95/91/947779591.db2.gz ZKQLXJCLAAFZPU-JSGCOSHPSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1)C1CCC1 ZINC001573629817 947783355 /nfs/dbraw/zinc/78/33/55/947783355.db2.gz VWTOXZUFGDBFQT-ZFWWWQNUSA-N -1 1 384.488 1.698 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@@H](CN(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573372964 947787253 /nfs/dbraw/zinc/78/72/53/947787253.db2.gz GONPKTWNHRAUJB-AWEZNQCLSA-N -1 1 386.460 1.091 20 0 GDADMM C[C@H](C(=O)N1CC[C@@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1)C(C)(C)C ZINC001573630771 947795861 /nfs/dbraw/zinc/79/58/61/947795861.db2.gz SCZPHNCXXKVBEP-BFUOFWGJSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](C(=O)N1CC[C@@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1)C(C)(C)C ZINC001573630771 947795865 /nfs/dbraw/zinc/79/58/65/947795865.db2.gz SCZPHNCXXKVBEP-BFUOFWGJSA-N -1 1 384.488 1.768 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573374236 947806251 /nfs/dbraw/zinc/80/62/51/947806251.db2.gz IPYCLVXIHIEADD-KBPBESRZSA-N -1 1 386.460 1.503 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573374236 947806259 /nfs/dbraw/zinc/80/62/59/947806259.db2.gz IPYCLVXIHIEADD-KBPBESRZSA-N -1 1 386.460 1.503 20 0 GDADMM C[C@H](C(=O)N1CCCO[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)C1CCC1 ZINC001573637670 947822290 /nfs/dbraw/zinc/82/22/90/947822290.db2.gz MSLVMJYOQPWLIS-JSGCOSHPSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H](C(=O)N1CCCO[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573637670 947822296 /nfs/dbraw/zinc/82/22/96/947822296.db2.gz MSLVMJYOQPWLIS-JSGCOSHPSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H](C(=O)N1CCCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1)C1CCC1 ZINC001573637744 947822706 /nfs/dbraw/zinc/82/27/06/947822706.db2.gz OXTNTXCXCKYWJV-JSGCOSHPSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H](C(=O)N1CCCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1)C1CCC1 ZINC001573637744 947822718 /nfs/dbraw/zinc/82/27/18/947822718.db2.gz OXTNTXCXCKYWJV-JSGCOSHPSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](C(=O)N1CCOC2(CN(Cc3ccc(-c4nn[n-]n4)s3)C2)C1)C1CC1 ZINC001573639934 947848125 /nfs/dbraw/zinc/84/81/25/947848125.db2.gz DFZPMFFIVKXREC-GFCCVEGCSA-N -1 1 388.497 1.388 20 0 GDADMM Cc1onc(CC(=O)Nc2cccc(C)c2C(=O)N2CCCC2)c1-c1nnn[n-]1 ZINC000826299559 947867219 /nfs/dbraw/zinc/86/72/19/947867219.db2.gz KXDORUBRKUIYTO-UHFFFAOYSA-N -1 1 395.423 1.889 20 0 GDADMM Cc1onc(CC(=O)Nc2cccc(C)c2C(=O)N2CCCC2)c1-c1nn[n-]n1 ZINC000826299559 947867228 /nfs/dbraw/zinc/86/72/28/947867228.db2.gz KXDORUBRKUIYTO-UHFFFAOYSA-N -1 1 395.423 1.889 20 0 GDADMM CC(=O)CCCC(=O)NC[C@@H]1CCCCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001573381144 947868570 /nfs/dbraw/zinc/86/85/70/947868570.db2.gz OSQQWVGJAZKQSV-AWEZNQCLSA-N -1 1 386.460 1.281 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1)c1cccs1 ZINC001573651187 947917509 /nfs/dbraw/zinc/91/75/09/947917509.db2.gz JRQKFYVDXOMZBO-WOPDTQHZSA-N -1 1 382.453 1.311 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1)c1cccs1 ZINC001573651187 947917512 /nfs/dbraw/zinc/91/75/12/947917512.db2.gz JRQKFYVDXOMZBO-WOPDTQHZSA-N -1 1 382.453 1.311 20 0 GDADMM C[C@H](C(=O)N[C@](C)(CNc1cncc(-c2nnn[n-]2)n1)C1CC1)C(C)(F)F ZINC001573652204 947931633 /nfs/dbraw/zinc/93/16/33/947931633.db2.gz BIENMPBVLFICGO-RFAUZJTJSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@H](C(=O)N[C@](C)(CNc1cncc(-c2nn[n-]n2)n1)C1CC1)C(C)(F)F ZINC001573652204 947931639 /nfs/dbraw/zinc/93/16/39/947931639.db2.gz BIENMPBVLFICGO-RFAUZJTJSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1ccsc1 ZINC001573652869 947948001 /nfs/dbraw/zinc/94/80/01/947948001.db2.gz HSUPORXCZCWWHH-MFKMUULPSA-N -1 1 384.469 1.251 20 0 GDADMM C[C@H](C(=O)N[C@@](C)(CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)C(F)(F)F ZINC001573652898 947948292 /nfs/dbraw/zinc/94/82/92/947948292.db2.gz IAXBASQJWQGDBO-CLAHSXSESA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](C(=O)N[C@@](C)(CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)C(F)(F)F ZINC001573652898 947948303 /nfs/dbraw/zinc/94/83/03/947948303.db2.gz IAXBASQJWQGDBO-CLAHSXSESA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)c1cccs1 ZINC001573654257 947964173 /nfs/dbraw/zinc/96/41/73/947964173.db2.gz QGEBJCXXFQZIBH-ZYHUDNBSSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)c1cccs1 ZINC001573654257 947964178 /nfs/dbraw/zinc/96/41/78/947964178.db2.gz QGEBJCXXFQZIBH-ZYHUDNBSSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C(C)(C)C)C(F)(F)F ZINC001573655728 947979146 /nfs/dbraw/zinc/97/91/46/947979146.db2.gz YOVJBJQNALASGD-DTWKUNHWSA-N -1 1 386.382 1.220 20 0 GDADMM Cc1oc(NC(=O)[C@@H](C)N(C)Cc2ncc(Cl)n2C)c(-c2nn[n-]n2)c1C ZINC000826341408 947980345 /nfs/dbraw/zinc/98/03/45/947980345.db2.gz HBFPTZBSYQIKFL-SECBINFHSA-N -1 1 392.851 1.922 20 0 GDADMM C[C@@H](C(=O)NC1(C)CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C(F)(F)F ZINC001573656819 947993904 /nfs/dbraw/zinc/99/39/04/947993904.db2.gz IJZHDTSCHKFLIJ-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](C(=O)NC1(C)CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C(F)(F)F ZINC001573656819 947993912 /nfs/dbraw/zinc/99/39/12/947993912.db2.gz IJZHDTSCHKFLIJ-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)c1-c1nnn[n-]1 ZINC000826344516 948008938 /nfs/dbraw/zinc/00/89/38/948008938.db2.gz KCUPOORYLGGFKT-HOCLYGCPSA-N -1 1 382.424 1.820 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)c1-c1nn[n-]n1 ZINC000826344516 948008943 /nfs/dbraw/zinc/00/89/43/948008943.db2.gz KCUPOORYLGGFKT-HOCLYGCPSA-N -1 1 382.424 1.820 20 0 GDADMM C[C@H](C(=O)NC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C(F)(F)F ZINC001573659435 948013688 /nfs/dbraw/zinc/01/36/88/948013688.db2.gz VQZARWZQNRMBAM-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](C(=O)NC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C(F)(F)F ZINC001573659435 948013693 /nfs/dbraw/zinc/01/36/93/948013693.db2.gz VQZARWZQNRMBAM-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](C(=O)NC1(CNc2cncc(-c3nnn[n-]3)n2)CCCC1)[C@H]1CCCO1 ZINC001573662413 948024192 /nfs/dbraw/zinc/02/41/92/948024192.db2.gz DHBCMYDMRBBCTM-TZMCWYRMSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](C(=O)NC1(CNc2cncc(-c3nn[n-]n3)n2)CCCC1)[C@H]1CCCO1 ZINC001573662413 948024201 /nfs/dbraw/zinc/02/42/01/948024201.db2.gz DHBCMYDMRBBCTM-TZMCWYRMSA-N -1 1 386.460 1.313 20 0 GDADMM Cc1onc(CC(=O)NC[C@](C)(O)c2ccc(F)cc2F)c1-c1nnn[n-]1 ZINC000826346220 948037143 /nfs/dbraw/zinc/03/71/43/948037143.db2.gz GUNMMULGELOKFE-INIZCTEOSA-N -1 1 378.339 1.008 20 0 GDADMM Cc1onc(CC(=O)NC[C@](C)(O)c2ccc(F)cc2F)c1-c1nn[n-]n1 ZINC000826346220 948037151 /nfs/dbraw/zinc/03/71/51/948037151.db2.gz GUNMMULGELOKFE-INIZCTEOSA-N -1 1 378.339 1.008 20 0 GDADMM Cc1onc(CC(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)c1-c1nnn[n-]1 ZINC000826346431 948041350 /nfs/dbraw/zinc/04/13/50/948041350.db2.gz MBNLOAUHDGBNOS-SNVBAGLBSA-N -1 1 388.819 1.149 20 0 GDADMM Cc1onc(CC(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)c1-c1nn[n-]n1 ZINC000826346431 948041359 /nfs/dbraw/zinc/04/13/59/948041359.db2.gz MBNLOAUHDGBNOS-SNVBAGLBSA-N -1 1 388.819 1.149 20 0 GDADMM Cc1onc(CC(=O)N[C@H]2CCOC3(CCSCC3)C2)c1-c1nnn[n-]1 ZINC000826346657 948042188 /nfs/dbraw/zinc/04/21/88/948042188.db2.gz SIBYZZZUQMJEGH-NSHDSACASA-N -1 1 378.458 1.267 20 0 GDADMM Cc1onc(CC(=O)N[C@H]2CCOC3(CCSCC3)C2)c1-c1nn[n-]n1 ZINC000826346657 948042194 /nfs/dbraw/zinc/04/21/94/948042194.db2.gz SIBYZZZUQMJEGH-NSHDSACASA-N -1 1 378.458 1.267 20 0 GDADMM Cc1onc(CC(=O)NC[C@@](O)(c2ccccc2)C(F)(F)F)c1-c1nnn[n-]1 ZINC000826346849 948044770 /nfs/dbraw/zinc/04/47/70/948044770.db2.gz XEIVBGMYOSWVET-OAHLLOKOSA-N -1 1 396.329 1.272 20 0 GDADMM Cc1onc(CC(=O)NC[C@@](O)(c2ccccc2)C(F)(F)F)c1-c1nn[n-]n1 ZINC000826346849 948044777 /nfs/dbraw/zinc/04/47/77/948044777.db2.gz XEIVBGMYOSWVET-OAHLLOKOSA-N -1 1 396.329 1.272 20 0 GDADMM Cc1onc(CC(=O)NCC(C)(C)c2ccc3c(c2)OCCO3)c1-c1nnn[n-]1 ZINC000826346852 948046089 /nfs/dbraw/zinc/04/60/89/948046089.db2.gz XKFTVKSHASBDDP-UHFFFAOYSA-N -1 1 398.423 1.571 20 0 GDADMM Cc1onc(CC(=O)NCC(C)(C)c2ccc3c(c2)OCCO3)c1-c1nn[n-]n1 ZINC000826346852 948046100 /nfs/dbraw/zinc/04/61/00/948046100.db2.gz XKFTVKSHASBDDP-UHFFFAOYSA-N -1 1 398.423 1.571 20 0 GDADMM Cc1onc(CC(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)c1-c1nnn[n-]1 ZINC000826347096 948048642 /nfs/dbraw/zinc/04/86/42/948048642.db2.gz FCWVFHYPSHNGMS-NSHDSACASA-N -1 1 391.432 1.221 20 0 GDADMM Cc1onc(CC(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)c1-c1nn[n-]n1 ZINC000826347096 948048646 /nfs/dbraw/zinc/04/86/46/948048646.db2.gz FCWVFHYPSHNGMS-NSHDSACASA-N -1 1 391.432 1.221 20 0 GDADMM Cc1onc(CC(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)c1-c1nnn[n-]1 ZINC000826347460 948053443 /nfs/dbraw/zinc/05/34/43/948053443.db2.gz RXQWXTRMDPWVSA-LLVKDONJSA-N -1 1 397.222 1.862 20 0 GDADMM Cc1onc(CC(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)c1-c1nn[n-]n1 ZINC000826347460 948053451 /nfs/dbraw/zinc/05/34/51/948053451.db2.gz RXQWXTRMDPWVSA-LLVKDONJSA-N -1 1 397.222 1.862 20 0 GDADMM C[C@H](C(=O)NC1CC2(C1)CC(Nc1ccnc(-c3nn[n-]n3)n1)C2)C(C)(C)C ZINC001573665248 948070241 /nfs/dbraw/zinc/07/02/41/948070241.db2.gz JNCWFPKAIBGCBE-OXBKQFJYSA-N -1 1 384.488 1.600 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(NC(=O)NC(C)C)cc2)c1-c1nnn[n-]1 ZINC000826348380 948072707 /nfs/dbraw/zinc/07/27/07/948072707.db2.gz JQPJUJBCGZDRAB-UHFFFAOYSA-N -1 1 384.400 1.874 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(NC(=O)NC(C)C)cc2)c1-c1nn[n-]n1 ZINC000826348380 948072717 /nfs/dbraw/zinc/07/27/17/948072717.db2.gz JQPJUJBCGZDRAB-UHFFFAOYSA-N -1 1 384.400 1.874 20 0 GDADMM C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001573665464 948075949 /nfs/dbraw/zinc/07/59/49/948075949.db2.gz LEUZAFCEISZUEY-FUDCBSFHSA-N -1 1 384.488 1.955 20 0 GDADMM C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001573665464 948075954 /nfs/dbraw/zinc/07/59/54/948075954.db2.gz LEUZAFCEISZUEY-FUDCBSFHSA-N -1 1 384.488 1.955 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)n1cccc1 ZINC001573666052 948081998 /nfs/dbraw/zinc/08/19/98/948081998.db2.gz PIJGRRSXSSKXLR-UONOGXRCSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)n1cccc1 ZINC001573666052 948082009 /nfs/dbraw/zinc/08/20/09/948082009.db2.gz PIJGRRSXSSKXLR-UONOGXRCSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](C(=O)NC1CC2(C1)CC(Nc1ccc(-c3nnn[n-]3)nn1)C2)C(C)(F)F ZINC001573666207 948082082 /nfs/dbraw/zinc/08/20/82/948082082.db2.gz QRTIGIYCSSCVBG-WTKRKHQCSA-N -1 1 392.414 1.787 20 0 GDADMM C[C@@H](C(=O)NC1CC2(C1)CC(Nc1ccc(-c3nn[n-]n3)nn1)C2)C(C)(F)F ZINC001573666207 948082091 /nfs/dbraw/zinc/08/20/91/948082091.db2.gz QRTIGIYCSSCVBG-WTKRKHQCSA-N -1 1 392.414 1.787 20 0 GDADMM Cn1cc(C(C)(C)C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cn1 ZINC000826358829 948114762 /nfs/dbraw/zinc/11/47/62/948114762.db2.gz KILSGCOMOHUVLR-UHFFFAOYSA-N -1 1 395.402 1.841 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1F ZINC001573674529 948119299 /nfs/dbraw/zinc/11/92/99/948119299.db2.gz NUPIWNXTUVZKHS-NWDGAFQWSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1F ZINC001573674529 948119312 /nfs/dbraw/zinc/11/93/12/948119312.db2.gz NUPIWNXTUVZKHS-NWDGAFQWSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@H](C(=O)NC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1cccs1 ZINC001573677483 948137749 /nfs/dbraw/zinc/13/77/49/948137749.db2.gz AZKLRAAVALXITM-CMPLNLGQSA-N -1 1 384.469 1.251 20 0 GDADMM CC(C)[C@H](CNC(=O)[C@H](C)c1cccs1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573678989 948156113 /nfs/dbraw/zinc/15/61/13/948156113.db2.gz HGGJVKRCPQIVNE-NEPJUHHUSA-N -1 1 386.485 1.497 20 0 GDADMM C[C@@H](CNC(=O)[C@@H](C)c1cccc(F)c1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001573680011 948171632 /nfs/dbraw/zinc/17/16/32/948171632.db2.gz NZLYNIOLFQBHCF-RYUDHWBXSA-N -1 1 384.419 1.540 20 0 GDADMM C[C@@H](CNC(=O)[C@@H](C)c1cccc(F)c1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001573680011 948171638 /nfs/dbraw/zinc/17/16/38/948171638.db2.gz NZLYNIOLFQBHCF-RYUDHWBXSA-N -1 1 384.419 1.540 20 0 GDADMM C[C@H](C(=O)NC[C@@H](CO)Nc1nc(Cl)c(-c2nnn[n-]2)s1)C1CCC1 ZINC001573680397 948179235 /nfs/dbraw/zinc/17/92/35/948179235.db2.gz NSIXMEXAYOUCRQ-CBAPKCEASA-N -1 1 385.881 1.302 20 0 GDADMM C[C@H](C(=O)NC[C@@H](CO)Nc1nc(Cl)c(-c2nn[n-]n2)s1)C1CCC1 ZINC001573680397 948179241 /nfs/dbraw/zinc/17/92/41/948179241.db2.gz NSIXMEXAYOUCRQ-CBAPKCEASA-N -1 1 385.881 1.302 20 0 GDADMM C[C@H](C(=O)NC[C@@H](CO)Nc1nc(Cl)c(-c2nnn[n-]2)s1)C(C)(C)C ZINC001573680476 948180012 /nfs/dbraw/zinc/18/00/12/948180012.db2.gz NZGWUHFEYQQZTL-SFYZADRCSA-N -1 1 387.897 1.548 20 0 GDADMM C[C@H](C(=O)NC[C@@H](CO)Nc1nc(Cl)c(-c2nn[n-]n2)s1)C(C)(C)C ZINC001573680476 948180019 /nfs/dbraw/zinc/18/00/19/948180019.db2.gz NZGWUHFEYQQZTL-SFYZADRCSA-N -1 1 387.897 1.548 20 0 GDADMM C[C@@H](C(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccccc1)C1CC1 ZINC001573681545 948206358 /nfs/dbraw/zinc/20/63/58/948206358.db2.gz WGOYTOQBRMWUPO-WBMJQRKESA-N -1 1 378.440 1.972 20 0 GDADMM C[C@@H](C(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccccc1)C1CC1 ZINC001573681545 948206367 /nfs/dbraw/zinc/20/63/67/948206367.db2.gz WGOYTOQBRMWUPO-WBMJQRKESA-N -1 1 378.440 1.972 20 0 GDADMM C[C@H](C(=O)NC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1ccsc1 ZINC001573681874 948217655 /nfs/dbraw/zinc/21/76/55/948217655.db2.gz YIGPHSOVFRIODR-GWCFXTLKSA-N -1 1 384.469 1.251 20 0 GDADMM C[C@@H](C(=O)NC[C@@]1(C)CN(c2cnc(-c3nnn[n-]3)cn2)CCO1)C(C)(C)C ZINC001573691842 948248058 /nfs/dbraw/zinc/24/80/58/948248058.db2.gz KHLXGHJZJABUTG-SGTLLEGYSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@@H](C(=O)NC[C@@]1(C)CN(c2cnc(-c3nn[n-]n3)cn2)CCO1)C(C)(C)C ZINC001573691842 948248071 /nfs/dbraw/zinc/24/80/71/948248071.db2.gz KHLXGHJZJABUTG-SGTLLEGYSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@H](C(=O)NCC1(C)CCN(c2nccnc2-c2nnn[n-]2)CC1)C1CCC1 ZINC001573692923 948274706 /nfs/dbraw/zinc/27/47/06/948274706.db2.gz QZSJMEJBNXJRNQ-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NCC1(C)CCN(c2nccnc2-c2nn[n-]n2)CC1)C1CCC1 ZINC001573692923 948274714 /nfs/dbraw/zinc/27/47/14/948274714.db2.gz QZSJMEJBNXJRNQ-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCCC1)[C@H]1CCCO1 ZINC001573693280 948279949 /nfs/dbraw/zinc/27/99/49/948279949.db2.gz VYTUUHGOPMEWJS-TZMCWYRMSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCCC1)[C@H]1CCCO1 ZINC001573693280 948279957 /nfs/dbraw/zinc/27/99/57/948279957.db2.gz VYTUUHGOPMEWJS-TZMCWYRMSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCC1)c1ccsc1 ZINC001573696868 948335601 /nfs/dbraw/zinc/33/56/01/948335601.db2.gz YSQHTGHZSQPOHJ-NSHDSACASA-N -1 1 384.469 1.973 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCC1)c1ccsc1 ZINC001573696868 948335610 /nfs/dbraw/zinc/33/56/10/948335610.db2.gz YSQHTGHZSQPOHJ-NSHDSACASA-N -1 1 384.469 1.973 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCC(C)(C)CN1c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573702915 948351071 /nfs/dbraw/zinc/35/10/71/948351071.db2.gz HNMIGZFECQVYQN-JSGCOSHPSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1)n1cccc1 ZINC001573702902 948351859 /nfs/dbraw/zinc/35/18/59/948351859.db2.gz HFDHFUPUSWQDPG-KBPBESRZSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1)n1cccc1 ZINC001573702902 948351867 /nfs/dbraw/zinc/35/18/67/948351867.db2.gz HFDHFUPUSWQDPG-KBPBESRZSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573703395 948355508 /nfs/dbraw/zinc/35/55/08/948355508.db2.gz JVPGTEKNLGFZJK-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001573704002 948361224 /nfs/dbraw/zinc/36/12/24/948361224.db2.gz NWUASGIGELRHKL-VHSXEESVSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573704002 948361233 /nfs/dbraw/zinc/36/12/33/948361233.db2.gz NWUASGIGELRHKL-VHSXEESVSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1CCCC1 ZINC001573704304 948370100 /nfs/dbraw/zinc/37/01/00/948370100.db2.gz RFNXZCCXBSHYCL-ZIAGYGMSSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1CCCC1 ZINC001573704304 948370107 /nfs/dbraw/zinc/37/01/07/948370107.db2.gz RFNXZCCXBSHYCL-ZIAGYGMSSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C1CCCC1 ZINC001573706785 948424350 /nfs/dbraw/zinc/42/43/50/948424350.db2.gz LZZMGKBVZJWRIB-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cccs1 ZINC001573707196 948430613 /nfs/dbraw/zinc/43/06/13/948430613.db2.gz NTEKHRSGZPVMCG-NWDGAFQWSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573707196 948430615 /nfs/dbraw/zinc/43/06/15/948430615.db2.gz NTEKHRSGZPVMCG-NWDGAFQWSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@H](C(=O)NCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C(C)(F)F ZINC001573708338 948448518 /nfs/dbraw/zinc/44/85/18/948448518.db2.gz UFSFZMQUFPJFPU-SNVBAGLBSA-N -1 1 380.403 1.281 20 0 GDADMM C[C@H](C(=O)NCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C(C)(F)F ZINC001573708338 948448525 /nfs/dbraw/zinc/44/85/25/948448525.db2.gz UFSFZMQUFPJFPU-SNVBAGLBSA-N -1 1 380.403 1.281 20 0 GDADMM C[C@H](C(=O)NCC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573714754 948476806 /nfs/dbraw/zinc/47/68/06/948476806.db2.gz JSQVMZXYSPAXFW-GHMZBOCLSA-N -1 1 380.403 1.281 20 0 GDADMM C[C@H](C(=O)NCC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)C1CCCC1 ZINC001573714922 948479204 /nfs/dbraw/zinc/47/92/04/948479204.db2.gz LJYKNKDNPSDXEN-KBPBESRZSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NCC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573714922 948479207 /nfs/dbraw/zinc/47/92/07/948479207.db2.gz LJYKNKDNPSDXEN-KBPBESRZSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1)c1ccc(F)c(F)c1 ZINC001573715051 948481979 /nfs/dbraw/zinc/48/19/79/948481979.db2.gz NKRWUNLTGPSECB-SNVBAGLBSA-N -1 1 388.382 1.291 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1)c1ccc(F)c(F)c1 ZINC001573715051 948481985 /nfs/dbraw/zinc/48/19/85/948481985.db2.gz NKRWUNLTGPSECB-SNVBAGLBSA-N -1 1 388.382 1.291 20 0 GDADMM C[C@H](C(=O)NCC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CCCC1 ZINC001573715470 948492045 /nfs/dbraw/zinc/49/20/45/948492045.db2.gz WQAJSVPCNAAYOH-KBPBESRZSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NCC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CCCC1 ZINC001573715470 948492051 /nfs/dbraw/zinc/49/20/51/948492051.db2.gz WQAJSVPCNAAYOH-KBPBESRZSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cccs1 ZINC001573725540 948544078 /nfs/dbraw/zinc/54/40/78/948544078.db2.gz AMJDJZMTMSVCKC-UTUOFQBUSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cccs1 ZINC001573725540 948544084 /nfs/dbraw/zinc/54/40/84/948544084.db2.gz AMJDJZMTMSVCKC-UTUOFQBUSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)C(F)(F)F ZINC001573725953 948545398 /nfs/dbraw/zinc/54/53/98/948545398.db2.gz DIGAQAGCCPSZMZ-OPRDCNLKSA-N -1 1 384.366 1.044 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)C(F)(F)F ZINC001573725953 948545399 /nfs/dbraw/zinc/54/53/99/948545399.db2.gz DIGAQAGCCPSZMZ-OPRDCNLKSA-N -1 1 384.366 1.044 20 0 GDADMM C[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001573729495 948567771 /nfs/dbraw/zinc/56/77/71/948567771.db2.gz UFTLHOBBDRPARK-VIRABCJISA-N -1 1 382.472 1.566 20 0 GDADMM C[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001573729495 948567776 /nfs/dbraw/zinc/56/77/76/948567776.db2.gz UFTLHOBBDRPARK-VIRABCJISA-N -1 1 382.472 1.566 20 0 GDADMM C[C@@H](C(=O)N[C@@H](C)CNc1nccnc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC001573732334 948602191 /nfs/dbraw/zinc/60/21/91/948602191.db2.gz NENKKSKWDTXJBQ-VHSXEESVSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@@H](C(=O)N[C@@H](C)CNc1nccnc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC001573732334 948602195 /nfs/dbraw/zinc/60/21/95/948602195.db2.gz NENKKSKWDTXJBQ-VHSXEESVSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573740432 948634757 /nfs/dbraw/zinc/63/47/57/948634757.db2.gz OWOKPIWYSDJIKT-KYXWUPHJSA-N -1 1 382.350 1.081 20 0 GDADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1)c1ccco1 ZINC001573740894 948644800 /nfs/dbraw/zinc/64/48/00/948644800.db2.gz UXLKVOOUFSUDSN-LOWDOPEQSA-N -1 1 380.412 1.279 20 0 GDADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1)c1ccco1 ZINC001573740894 948644802 /nfs/dbraw/zinc/64/48/02/948644802.db2.gz UXLKVOOUFSUDSN-LOWDOPEQSA-N -1 1 380.412 1.279 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001573740869 948645487 /nfs/dbraw/zinc/64/54/87/948645487.db2.gz UMJLTCCPKHCSCJ-HFBAOOFYSA-N -1 1 390.451 1.897 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001573740869 948645495 /nfs/dbraw/zinc/64/54/95/948645495.db2.gz UMJLTCCPKHCSCJ-HFBAOOFYSA-N -1 1 390.451 1.897 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1)c1cccs1 ZINC001573748422 948696874 /nfs/dbraw/zinc/69/68/74/948696874.db2.gz SWTNEDOQYHLAIJ-SRVKXCTJSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1)c1cccs1 ZINC001573748422 948696879 /nfs/dbraw/zinc/69/68/79/948696879.db2.gz SWTNEDOQYHLAIJ-SRVKXCTJSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC001573752340 948711998 /nfs/dbraw/zinc/71/19/98/948711998.db2.gz MZFHVERNTCRIJV-XCCSTKFXSA-N -1 1 380.412 1.279 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC001573752340 948712001 /nfs/dbraw/zinc/71/20/01/948712001.db2.gz MZFHVERNTCRIJV-XCCSTKFXSA-N -1 1 380.412 1.279 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cccc(F)c1 ZINC001573752649 948715969 /nfs/dbraw/zinc/71/59/69/948715969.db2.gz PJALOUOZSCXMTF-LERXQTSPSA-N -1 1 382.403 1.659 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cccc(F)c1 ZINC001573752649 948715977 /nfs/dbraw/zinc/71/59/77/948715977.db2.gz PJALOUOZSCXMTF-LERXQTSPSA-N -1 1 382.403 1.659 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1)C1CCCC1 ZINC001573753377 948717375 /nfs/dbraw/zinc/71/73/75/948717375.db2.gz SNJYBXXEAQBDRX-YOENINGUSA-N -1 1 382.472 1.709 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1)C1CCCC1 ZINC001573753377 948717381 /nfs/dbraw/zinc/71/73/81/948717381.db2.gz SNJYBXXEAQBDRX-YOENINGUSA-N -1 1 382.472 1.709 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@@H](C)[C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)nc1 ZINC001574416151 948745190 /nfs/dbraw/zinc/74/51/90/948745190.db2.gz PQHLYGYIJLNPBX-NEPJUHHUSA-N -1 1 381.444 1.216 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)Cc1ccc(F)c(F)c1 ZINC001574678331 948745988 /nfs/dbraw/zinc/74/59/88/948745988.db2.gz CZLAKKNKTKHKQL-SNVBAGLBSA-N -1 1 388.382 1.484 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)Cc1ccc(F)c(F)c1 ZINC001574678331 948745993 /nfs/dbraw/zinc/74/59/93/948745993.db2.gz CZLAKKNKTKHKQL-SNVBAGLBSA-N -1 1 388.382 1.484 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1csc(Cl)n1 ZINC001574678377 948748114 /nfs/dbraw/zinc/74/81/14/948748114.db2.gz DUTXGABNXMNQSJ-ZETCQYMHSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1csc(Cl)n1 ZINC001574678377 948748122 /nfs/dbraw/zinc/74/81/22/948748122.db2.gz DUTXGABNXMNQSJ-ZETCQYMHSA-N -1 1 379.837 1.387 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575221814 948752203 /nfs/dbraw/zinc/75/22/03/948752203.db2.gz DGGJBZRMRQQFBX-SNVBAGLBSA-N -1 1 378.387 1.177 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@@H]2CCCCN2c2nccnc2-c2nnn[n-]2)CC1 ZINC001575222241 948755017 /nfs/dbraw/zinc/75/50/17/948755017.db2.gz HDYMVLLRDRNSPJ-NSHDSACASA-N -1 1 392.414 1.567 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@@H]2CCCCN2c2nccnc2-c2nn[n-]n2)CC1 ZINC001575222241 948755023 /nfs/dbraw/zinc/75/50/23/948755023.db2.gz HDYMVLLRDRNSPJ-NSHDSACASA-N -1 1 392.414 1.567 20 0 GDADMM CC(F)(F)C1(C(=O)NCC[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001575222166 948755834 /nfs/dbraw/zinc/75/58/34/948755834.db2.gz FVVQISJHAQKHMD-LLVKDONJSA-N -1 1 392.414 1.425 20 0 GDADMM CC(F)(F)C1(C(=O)NCC[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001575222166 948755851 /nfs/dbraw/zinc/75/58/51/948755851.db2.gz FVVQISJHAQKHMD-LLVKDONJSA-N -1 1 392.414 1.425 20 0 GDADMM CC(F)(F)C1(C(=O)N2CC[C@@H](CCNc3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001575223285 948761648 /nfs/dbraw/zinc/76/16/48/948761648.db2.gz MQCBORJBHSZSPN-LLVKDONJSA-N -1 1 392.414 1.743 20 0 GDADMM CC(F)(F)C1(C(=O)N2CC[C@@H](CCNc3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001575223285 948761661 /nfs/dbraw/zinc/76/16/61/948761661.db2.gz MQCBORJBHSZSPN-LLVKDONJSA-N -1 1 392.414 1.743 20 0 GDADMM CC(C)[C@@H](F)C(=O)NCCCN(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001574079189 948766058 /nfs/dbraw/zinc/76/60/58/948766058.db2.gz BNLPCQOPZPAYIE-SECBINFHSA-N -1 1 375.861 1.913 20 0 GDADMM CC(C)[C@@H](F)C(=O)NCCCN(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001574079189 948766066 /nfs/dbraw/zinc/76/60/66/948766066.db2.gz BNLPCQOPZPAYIE-SECBINFHSA-N -1 1 375.861 1.913 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)c1cccs1 ZINC001573755438 948768695 /nfs/dbraw/zinc/76/86/95/948768695.db2.gz DTLUZPSWVGMTHA-PUHVVEEASA-N -1 1 382.453 1.073 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CCC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001575223930 948773745 /nfs/dbraw/zinc/77/37/45/948773745.db2.gz PTRKGUJWQFRGBN-MNOVXSKESA-N -1 1 392.414 1.931 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CCC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001575223930 948773760 /nfs/dbraw/zinc/77/37/60/948773760.db2.gz PTRKGUJWQFRGBN-MNOVXSKESA-N -1 1 392.414 1.931 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ncoc1C(C)(C)C ZINC001574679575 948788735 /nfs/dbraw/zinc/78/87/35/948788735.db2.gz YEUSUJIYHOVTEE-SNVBAGLBSA-N -1 1 385.432 1.563 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ncoc1C(C)(C)C ZINC001574679575 948788741 /nfs/dbraw/zinc/78/87/41/948788741.db2.gz YEUSUJIYHOVTEE-SNVBAGLBSA-N -1 1 385.432 1.563 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cc1ccc2c(c1)CCC2 ZINC001574680090 948799664 /nfs/dbraw/zinc/79/96/64/948799664.db2.gz DFOUTOHTKSVKAV-CYBMUJFWSA-N -1 1 392.467 1.695 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cc1ccc2c(c1)CCC2 ZINC001574680090 948799683 /nfs/dbraw/zinc/79/96/83/948799683.db2.gz DFOUTOHTKSVKAV-CYBMUJFWSA-N -1 1 392.467 1.695 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@H](C)CCNc2cncc(-c3nnn[n-]3)n2)s1 ZINC001574680127 948799709 /nfs/dbraw/zinc/79/97/09/948799709.db2.gz DXNXCXJDBAZHPH-SNVBAGLBSA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@H](C)CCNc2cncc(-c3nn[n-]n3)n2)s1 ZINC001574680127 948799724 /nfs/dbraw/zinc/79/97/24/948799724.db2.gz DXNXCXJDBAZHPH-SNVBAGLBSA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)c1ccoc1C(=O)NC1CC(CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574420883 948808877 /nfs/dbraw/zinc/80/88/77/948808877.db2.gz CXFSHSGJKFAVBY-UHFFFAOYSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1ccoc1C(=O)NC1CC(CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574420883 948808897 /nfs/dbraw/zinc/80/88/97/948808897.db2.gz CXFSHSGJKFAVBY-UHFFFAOYSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)[C@H](F)C(=O)NC[C@]12CCC[C@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001574081137 948816655 /nfs/dbraw/zinc/81/66/55/948816655.db2.gz QSUYKKMOUBFPPG-UVBSCNOISA-N -1 1 388.451 1.516 20 0 GDADMM CC(F)(F)CC(=O)N1CCC(CCNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575226493 948818010 /nfs/dbraw/zinc/81/80/10/948818010.db2.gz MRTHJNRQMNTYSW-UHFFFAOYSA-N -1 1 380.403 1.743 20 0 GDADMM CC(F)(F)CC(=O)N1CCC(CCNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575226493 948818024 /nfs/dbraw/zinc/81/80/24/948818024.db2.gz MRTHJNRQMNTYSW-UHFFFAOYSA-N -1 1 380.403 1.743 20 0 GDADMM CC(C)c1ccoc1C(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574422044 948830089 /nfs/dbraw/zinc/83/00/89/948830089.db2.gz VQUQQDQTJVDBII-GFCCVEGCSA-N -1 1 382.428 1.947 20 0 GDADMM CC(C)c1ccoc1C(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574422044 948830109 /nfs/dbraw/zinc/83/01/09/948830109.db2.gz VQUQQDQTJVDBII-GFCCVEGCSA-N -1 1 382.428 1.947 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCc1ccccc1F ZINC001574682798 948831524 /nfs/dbraw/zinc/83/15/24/948831524.db2.gz RGUKDXCJYCJSJN-LBPRGKRZSA-N -1 1 384.419 1.735 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCc1ccccc1F ZINC001574682798 948831546 /nfs/dbraw/zinc/83/15/46/948831546.db2.gz RGUKDXCJYCJSJN-LBPRGKRZSA-N -1 1 384.419 1.735 20 0 GDADMM CC(C)c1ccoc1C(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574422045 948831650 /nfs/dbraw/zinc/83/16/50/948831650.db2.gz VQUQQDQTJVDBII-LBPRGKRZSA-N -1 1 382.428 1.947 20 0 GDADMM CC(C)c1ccoc1C(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574422045 948831666 /nfs/dbraw/zinc/83/16/66/948831666.db2.gz VQUQQDQTJVDBII-LBPRGKRZSA-N -1 1 382.428 1.947 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1coc(CC2CC2)n1 ZINC001574683089 948838908 /nfs/dbraw/zinc/83/89/08/948838908.db2.gz UHNGSCUEFAKBLB-SNVBAGLBSA-N -1 1 383.416 1.218 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1coc(CC2CC2)n1 ZINC001574683089 948838923 /nfs/dbraw/zinc/83/89/23/948838923.db2.gz UHNGSCUEFAKBLB-SNVBAGLBSA-N -1 1 383.416 1.218 20 0 GDADMM C[C@@H](CNC(=O)CCCc1ccsc1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574918217 948838950 /nfs/dbraw/zinc/83/89/50/948838950.db2.gz HJYZBONRQVLFHX-LBPRGKRZSA-N -1 1 386.485 1.682 20 0 GDADMM CC(C)c1nc(C(=O)N[C@H](C)[C@@H](C)Nc2nccnc2-c2nnn[n-]2)cs1 ZINC001574424154 948844870 /nfs/dbraw/zinc/84/48/70/948844870.db2.gz GTEJQQLRCVGABD-NXEZZACHSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1nc(C(=O)N[C@H](C)[C@@H](C)Nc2nccnc2-c2nn[n-]n2)cs1 ZINC001574424154 948844881 /nfs/dbraw/zinc/84/48/81/948844881.db2.gz GTEJQQLRCVGABD-NXEZZACHSA-N -1 1 387.473 1.856 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ncoc1C(C)(C)C ZINC001574683214 948847117 /nfs/dbraw/zinc/84/71/17/948847117.db2.gz VXSXNPVWTFIFAF-SNVBAGLBSA-N -1 1 385.432 1.563 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ncoc1C(C)(C)C ZINC001574683214 948847142 /nfs/dbraw/zinc/84/71/42/948847142.db2.gz VXSXNPVWTFIFAF-SNVBAGLBSA-N -1 1 385.432 1.563 20 0 GDADMM CC(C)(C(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573763151 948863971 /nfs/dbraw/zinc/86/39/71/948863971.db2.gz BZINEFGKBJTTPV-VIFPVBQESA-N -1 1 384.366 1.070 20 0 GDADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)C1=CCOCC1 ZINC001574685003 948900086 /nfs/dbraw/zinc/90/00/86/948900086.db2.gz QSLUGFTXDZTHLT-QMMMGPOBSA-N -1 1 383.865 1.630 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)Cc1cnoc1 ZINC001574685428 948907322 /nfs/dbraw/zinc/90/73/22/948907322.db2.gz VXQIHLLWYKXQSP-SSDOTTSWSA-N -1 1 382.837 1.514 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)Cc1cnoc1 ZINC001574685428 948907332 /nfs/dbraw/zinc/90/73/32/948907332.db2.gz VXQIHLLWYKXQSP-SSDOTTSWSA-N -1 1 382.837 1.514 20 0 GDADMM CC(F)(F)CC(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC001575235471 948918677 /nfs/dbraw/zinc/91/86/77/948918677.db2.gz VSBLUQFDNLWZHS-ZDUSSCGKSA-N -1 1 388.382 1.971 20 0 GDADMM CC(F)(F)CC(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC001575235471 948918694 /nfs/dbraw/zinc/91/86/94/948918694.db2.gz VSBLUQFDNLWZHS-ZDUSSCGKSA-N -1 1 388.382 1.971 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575235501 948918852 /nfs/dbraw/zinc/91/88/52/948918852.db2.gz MZWJPGGAXYATLX-LLVKDONJSA-N -1 1 380.403 1.743 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575235501 948918864 /nfs/dbraw/zinc/91/88/64/948918864.db2.gz MZWJPGGAXYATLX-LLVKDONJSA-N -1 1 380.403 1.743 20 0 GDADMM CC(C)c1ncc(C(=O)NC[C@@H](C)N(C)c2cnc(-c3nnn[n-]3)cn2)s1 ZINC001574427885 948918746 /nfs/dbraw/zinc/91/87/46/948918746.db2.gz UNZQWZKLTCKQOU-SNVBAGLBSA-N -1 1 387.473 1.491 20 0 GDADMM CC(C)c1ncc(C(=O)NC[C@@H](C)N(C)c2cnc(-c3nn[n-]n3)cn2)s1 ZINC001574427885 948918757 /nfs/dbraw/zinc/91/87/57/948918757.db2.gz UNZQWZKLTCKQOU-SNVBAGLBSA-N -1 1 387.473 1.491 20 0 GDADMM CC(C)(C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)c1ccccc1 ZINC001573765681 948920880 /nfs/dbraw/zinc/92/08/80/948920880.db2.gz XEJBRUFVNPVLDO-UHFFFAOYSA-N -1 1 392.467 1.673 20 0 GDADMM CC(C)(C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)c1ccccc1 ZINC001573765681 948920888 /nfs/dbraw/zinc/92/08/88/948920888.db2.gz XEJBRUFVNPVLDO-UHFFFAOYSA-N -1 1 392.467 1.673 20 0 GDADMM CC(F)(F)CCC(=O)N[C@]12CCC[C@H]1N(c1nccnc1-c1nnn[n-]1)CC2 ZINC001575235955 948931163 /nfs/dbraw/zinc/93/11/63/948931163.db2.gz SYDWSJZXUBPWCT-DIFFPNOSSA-N -1 1 392.414 1.710 20 0 GDADMM CC(F)(F)CCC(=O)N[C@]12CCC[C@H]1N(c1nccnc1-c1nn[n-]n1)CC2 ZINC001575235955 948931175 /nfs/dbraw/zinc/93/11/75/948931175.db2.gz SYDWSJZXUBPWCT-DIFFPNOSSA-N -1 1 392.414 1.710 20 0 GDADMM CC(C)(C(=O)N[C@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2)C1CC1 ZINC001573771048 948933092 /nfs/dbraw/zinc/93/30/92/948933092.db2.gz AGSMOWSGBQRFGB-ZDUSSCGKSA-N -1 1 382.472 1.568 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@@H]2[C@H](CCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001575236073 948934428 /nfs/dbraw/zinc/93/44/28/948934428.db2.gz UXEQMQOLPZCKKI-VXGBXAGGSA-N -1 1 392.414 1.519 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@@H]2[C@H](CCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001575236073 948934438 /nfs/dbraw/zinc/93/44/38/948934438.db2.gz UXEQMQOLPZCKKI-VXGBXAGGSA-N -1 1 392.414 1.519 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N[C@@H](C)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574432708 948938307 /nfs/dbraw/zinc/93/83/07/948938307.db2.gz BEUHLZKTILCFDV-QWRGUYRKSA-N -1 1 384.448 1.133 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N[C@@H](C)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574432708 948938319 /nfs/dbraw/zinc/93/83/19/948938319.db2.gz BEUHLZKTILCFDV-QWRGUYRKSA-N -1 1 384.448 1.133 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC1(C)C ZINC001575236840 948939345 /nfs/dbraw/zinc/93/93/45/948939345.db2.gz AEAYMEHDDUYJRD-SNVBAGLBSA-N -1 1 380.403 1.423 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC1(C)C ZINC001575236840 948939357 /nfs/dbraw/zinc/93/93/57/948939357.db2.gz AEAYMEHDDUYJRD-SNVBAGLBSA-N -1 1 380.403 1.423 20 0 GDADMM CC(C)(C(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1)c1ccccc1 ZINC001573771247 948939652 /nfs/dbraw/zinc/93/96/52/948939652.db2.gz DPTAPPSMVUIBIJ-UHFFFAOYSA-N -1 1 392.467 1.941 20 0 GDADMM CC(C)(C(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1)c1ccccc1 ZINC001573771247 948939665 /nfs/dbraw/zinc/93/96/65/948939665.db2.gz DPTAPPSMVUIBIJ-UHFFFAOYSA-N -1 1 392.467 1.941 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCOCC1 ZINC001574089173 948944684 /nfs/dbraw/zinc/94/46/84/948944684.db2.gz GYNIRAOYKBDIDM-OLZOCXBDSA-N -1 1 386.460 1.026 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCOCC1 ZINC001574089173 948944693 /nfs/dbraw/zinc/94/46/93/948944693.db2.gz GYNIRAOYKBDIDM-OLZOCXBDSA-N -1 1 386.460 1.026 20 0 GDADMM CC(F)(F)CCC(=O)NC[C@@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575237915 948950160 /nfs/dbraw/zinc/95/01/60/948950160.db2.gz IYFDJWABWJHEBL-NSHDSACASA-N -1 1 380.403 1.567 20 0 GDADMM CC(F)(F)CCC(=O)NC[C@@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575237915 948950166 /nfs/dbraw/zinc/95/01/66/948950166.db2.gz IYFDJWABWJHEBL-NSHDSACASA-N -1 1 380.403 1.567 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1nccnc1-c1nnn[n-]1)C2)C(F)F ZINC001573771899 948950962 /nfs/dbraw/zinc/95/09/62/948950962.db2.gz NWGJDDSLVIIPSR-DCAQKATOSA-N -1 1 392.414 1.422 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1nccnc1-c1nn[n-]n1)C2)C(F)F ZINC001573771899 948950971 /nfs/dbraw/zinc/95/09/71/948950971.db2.gz NWGJDDSLVIIPSR-DCAQKATOSA-N -1 1 392.414 1.422 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001575240099 948967776 /nfs/dbraw/zinc/96/77/76/948967776.db2.gz ZAHKLHYAROIELH-WDEREUQCSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001575240099 948967785 /nfs/dbraw/zinc/96/77/85/948967785.db2.gz ZAHKLHYAROIELH-WDEREUQCSA-N -1 1 380.403 1.789 20 0 GDADMM CC(C)[C@@H]1C[C@H](CC(=O)NCCN(C)c2cnc(-c3nnn[n-]3)cn2)CCO1 ZINC001574090042 948977895 /nfs/dbraw/zinc/97/78/95/948977895.db2.gz HMNVQMWELXVDNZ-HIFRSBDPSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)[C@@H]1C[C@H](CC(=O)NCCN(C)c2cnc(-c3nn[n-]n3)cn2)CCO1 ZINC001574090042 948977909 /nfs/dbraw/zinc/97/79/09/948977909.db2.gz HMNVQMWELXVDNZ-HIFRSBDPSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CCCCC1 ZINC001573773310 948980435 /nfs/dbraw/zinc/98/04/35/948980435.db2.gz KDYHVNXDLHXRLO-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CCCCC1 ZINC001573773310 948980447 /nfs/dbraw/zinc/98/04/47/948980447.db2.gz KDYHVNXDLHXRLO-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cccc(N(C)C)c1 ZINC001574693160 949049144 /nfs/dbraw/zinc/04/91/44/949049144.db2.gz BECVJVMNTQFPHG-LBPRGKRZSA-N -1 1 381.444 1.343 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cccc(N(C)C)c1 ZINC001574693160 949049158 /nfs/dbraw/zinc/04/91/58/949049158.db2.gz BECVJVMNTQFPHG-LBPRGKRZSA-N -1 1 381.444 1.343 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001574441439 949056289 /nfs/dbraw/zinc/05/62/89/949056289.db2.gz KJRZUIFXRGFISH-XYPYZODXSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001574441439 949056305 /nfs/dbraw/zinc/05/63/05/949056305.db2.gz KJRZUIFXRGFISH-XYPYZODXSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001574092576 949068876 /nfs/dbraw/zinc/06/88/76/949068876.db2.gz OTYJCCKLEFNZFA-LXTVHRRPSA-N -1 1 382.472 1.519 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001574092576 949068896 /nfs/dbraw/zinc/06/88/96/949068896.db2.gz OTYJCCKLEFNZFA-LXTVHRRPSA-N -1 1 382.472 1.519 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573779870 949072855 /nfs/dbraw/zinc/07/28/55/949072855.db2.gz OKHQHVZFAOBSPK-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001574441889 949080723 /nfs/dbraw/zinc/08/07/23/949080723.db2.gz DSHZKYSKCUUJBY-LBPRGKRZSA-N -1 1 385.432 1.057 20 0 GDADMM CC(C)c1nocc1C(=O)N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574441968 949086342 /nfs/dbraw/zinc/08/63/42/949086342.db2.gz HJRHLSLBUMYKEZ-UHFFFAOYSA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1nocc1C(=O)N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574441968 949086362 /nfs/dbraw/zinc/08/63/62/949086362.db2.gz HJRHLSLBUMYKEZ-UHFFFAOYSA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1nocc1C(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)[C@@H](C)C1 ZINC001574442711 949101174 /nfs/dbraw/zinc/10/11/74/949101174.db2.gz RPANUDYDENKGMA-GWCFXTLKSA-N -1 1 383.416 1.341 20 0 GDADMM CC(C)c1nocc1C(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)[C@@H](C)C1 ZINC001574442711 949101186 /nfs/dbraw/zinc/10/11/86/949101186.db2.gz RPANUDYDENKGMA-GWCFXTLKSA-N -1 1 383.416 1.341 20 0 GDADMM CC(C)(C(=O)NCCNc1ccc(-c2nnn[n-]2)nn1)c1cccc(Cl)c1 ZINC001573781632 949111880 /nfs/dbraw/zinc/11/18/80/949111880.db2.gz LKNAUYHJIRJPSI-UHFFFAOYSA-N -1 1 386.847 1.816 20 0 GDADMM CC(C)(C(=O)NCCNc1ccc(-c2nn[n-]n2)nn1)c1cccc(Cl)c1 ZINC001573781632 949111906 /nfs/dbraw/zinc/11/19/06/949111906.db2.gz LKNAUYHJIRJPSI-UHFFFAOYSA-N -1 1 386.847 1.816 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1csc(Cl)n1 ZINC001574695557 949112262 /nfs/dbraw/zinc/11/22/62/949112262.db2.gz ICRAAMKVBDLLOG-SSDOTTSWSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1csc(Cl)n1 ZINC001574695557 949112273 /nfs/dbraw/zinc/11/22/73/949112273.db2.gz ICRAAMKVBDLLOG-SSDOTTSWSA-N -1 1 379.837 1.387 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)N1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001574093922 949124000 /nfs/dbraw/zinc/12/40/00/949124000.db2.gz TVSGFWKTVWUXJF-ZJUUUORDSA-N -1 1 381.893 1.917 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cc2n(c1)CCCC2 ZINC001574696432 949133846 /nfs/dbraw/zinc/13/38/46/949133846.db2.gz QMANWDKHBPCDHS-GFCCVEGCSA-N -1 1 381.444 1.415 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cc2n(c1)CCCC2 ZINC001574696432 949133860 /nfs/dbraw/zinc/13/38/60/949133860.db2.gz QMANWDKHBPCDHS-GFCCVEGCSA-N -1 1 381.444 1.415 20 0 GDADMM CC(C)c1occc1C(=O)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574446881 949140088 /nfs/dbraw/zinc/14/00/88/949140088.db2.gz ZERZYYBFHAWNEL-UHFFFAOYSA-N -1 1 382.428 1.726 20 0 GDADMM CC(C)c1occc1C(=O)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574446881 949140101 /nfs/dbraw/zinc/14/01/01/949140101.db2.gz ZERZYYBFHAWNEL-UHFFFAOYSA-N -1 1 382.428 1.726 20 0 GDADMM CC(C)c1occc1C(=O)NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574446854 949141425 /nfs/dbraw/zinc/14/14/25/949141425.db2.gz YJDLPOIWZLXURA-LBPRGKRZSA-N -1 1 382.428 1.629 20 0 GDADMM CC(C)c1occc1C(=O)NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574446854 949141442 /nfs/dbraw/zinc/14/14/42/949141442.db2.gz YJDLPOIWZLXURA-LBPRGKRZSA-N -1 1 382.428 1.629 20 0 GDADMM CC(C)[C@H]1C[C@@H](CC(=O)N(C)CCNc2nccnc2-c2nnn[n-]2)CCO1 ZINC001574094922 949144311 /nfs/dbraw/zinc/14/43/11/949144311.db2.gz WWBKWQVGRCCVNC-UONOGXRCSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)[C@H]1C[C@@H](CC(=O)N(C)CCNc2nccnc2-c2nn[n-]n2)CCO1 ZINC001574094922 949144322 /nfs/dbraw/zinc/14/43/22/949144322.db2.gz WWBKWQVGRCCVNC-UONOGXRCSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)C1CCC1 ZINC001573786791 949145166 /nfs/dbraw/zinc/14/51/66/949145166.db2.gz BIVYJYGTANWNHH-IPYPFGDCSA-N -1 1 382.472 1.709 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)C1CCC1 ZINC001573786791 949145187 /nfs/dbraw/zinc/14/51/87/949145187.db2.gz BIVYJYGTANWNHH-IPYPFGDCSA-N -1 1 382.472 1.709 20 0 GDADMM C[C@@H](NC(=O)C1(CF)CCC1)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575252289 949158888 /nfs/dbraw/zinc/15/88/88/949158888.db2.gz FDTLJGPIUNFXSK-CHWSQXEVSA-N -1 1 388.451 1.518 20 0 GDADMM C[C@@H](NC(=O)C1(CF)CCC1)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575252289 949158899 /nfs/dbraw/zinc/15/88/99/949158899.db2.gz FDTLJGPIUNFXSK-CHWSQXEVSA-N -1 1 388.451 1.518 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C(C)C ZINC001574447479 949160707 /nfs/dbraw/zinc/16/07/07/949160707.db2.gz PKYPMXXZMWNSAX-LBPRGKRZSA-N -1 1 385.432 1.635 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C(C)C ZINC001574447479 949160716 /nfs/dbraw/zinc/16/07/16/949160716.db2.gz PKYPMXXZMWNSAX-LBPRGKRZSA-N -1 1 385.432 1.635 20 0 GDADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)C(C)(C)CC(F)(F)F ZINC001575252415 949162047 /nfs/dbraw/zinc/16/20/47/949162047.db2.gz QHXGAZIECQCBGY-BDAKNGLRSA-N -1 1 386.382 1.362 20 0 GDADMM CC[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2cc(C(N)=O)ccc2CN(C)C)C1 ZINC001589597300 949166967 /nfs/dbraw/zinc/16/69/67/949166967.db2.gz GJVIZCQVVJUWIF-LJQANCHMSA-N -1 1 376.457 1.956 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)C1CCOCC1 ZINC001573787325 949175067 /nfs/dbraw/zinc/17/50/67/949175067.db2.gz SYSRQXZNWDJSRB-JOCQHMNTSA-N -1 1 386.460 1.169 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)C1CCOCC1 ZINC001573787325 949175081 /nfs/dbraw/zinc/17/50/81/949175081.db2.gz SYSRQXZNWDJSRB-JOCQHMNTSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@@H](NC(=O)C1(CF)CCC1)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575252852 949175950 /nfs/dbraw/zinc/17/59/50/949175950.db2.gz IABZOTSNEUFVOM-OLZOCXBDSA-N -1 1 388.451 1.518 20 0 GDADMM CC(C)c1oncc1C(=O)N1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574448161 949177164 /nfs/dbraw/zinc/17/71/64/949177164.db2.gz DPELSARAZHHUIV-LLVKDONJSA-N -1 1 383.416 1.342 20 0 GDADMM CC(C)c1oncc1C(=O)N1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574448161 949177176 /nfs/dbraw/zinc/17/71/76/949177176.db2.gz DPELSARAZHHUIV-LLVKDONJSA-N -1 1 383.416 1.342 20 0 GDADMM CC(C)[C@H]1N(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CC12CCCCCC2 ZINC001574099537 949178796 /nfs/dbraw/zinc/17/87/96/949178796.db2.gz MDSJLQOHKBYMTC-CQSZACIVSA-N -1 1 387.488 1.449 20 0 GDADMM C[C@@H](NC(=O)C1(C(F)F)CC1)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575253460 949185458 /nfs/dbraw/zinc/18/54/58/949185458.db2.gz UFVDKEOHLMPNRN-GHMZBOCLSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@@H](NC(=O)C1(C(F)F)CC1)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575253460 949185467 /nfs/dbraw/zinc/18/54/67/949185467.db2.gz UFVDKEOHLMPNRN-GHMZBOCLSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@@H](CNC(=O)COc1ccc(F)cc1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574934964 949188316 /nfs/dbraw/zinc/18/83/16/949188316.db2.gz WBODUVRWBZSCIB-LLVKDONJSA-N -1 1 386.391 1.039 20 0 GDADMM C[C@@H](CNC(=O)COc1ccc(F)cc1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574934964 949188327 /nfs/dbraw/zinc/18/83/27/949188327.db2.gz WBODUVRWBZSCIB-LLVKDONJSA-N -1 1 386.391 1.039 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)C1CCOCC1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575254478 949201571 /nfs/dbraw/zinc/20/15/71/949201571.db2.gz WEEMFFSBKXUXJN-NWDGAFQWSA-N -1 1 388.476 1.415 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)C1CCOCC1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575254478 949201552 /nfs/dbraw/zinc/20/15/52/949201552.db2.gz WEEMFFSBKXUXJN-NWDGAFQWSA-N -1 1 388.476 1.415 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H](C)c1ccccc1F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574698815 949207085 /nfs/dbraw/zinc/20/70/85/949207085.db2.gz OWEJHMPTTISWHJ-RYUDHWBXSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H](C)c1ccccc1F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574698815 949207100 /nfs/dbraw/zinc/20/71/00/949207100.db2.gz OWEJHMPTTISWHJ-RYUDHWBXSA-N -1 1 384.419 1.858 20 0 GDADMM CC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)C2CCC(O)CC2)CC1 ZINC001575854006 949222996 /nfs/dbraw/zinc/22/29/96/949222996.db2.gz QESKDTMUTREUCQ-UHFFFAOYSA-N -1 1 386.460 1.001 20 0 GDADMM CC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)C2CCC(O)CC2)CC1 ZINC001575854006 949223013 /nfs/dbraw/zinc/22/30/13/949223013.db2.gz QESKDTMUTREUCQ-UHFFFAOYSA-N -1 1 386.460 1.001 20 0 GDADMM CC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)C2(F)CCCCC2)CC1 ZINC001575853940 949225837 /nfs/dbraw/zinc/22/58/37/949225837.db2.gz PDSJQKKKWOBVDU-UHFFFAOYSA-N -1 1 388.451 1.544 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H](C)NC(=O)C1(c2ccccc2)CC1 ZINC001575255188 949225949 /nfs/dbraw/zinc/22/59/49/949225949.db2.gz PVCWBXYHTPLAKP-OLZOCXBDSA-N -1 1 378.440 1.694 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H](C)NC(=O)C1(c2ccccc2)CC1 ZINC001575255188 949225971 /nfs/dbraw/zinc/22/59/71/949225971.db2.gz PVCWBXYHTPLAKP-OLZOCXBDSA-N -1 1 378.440 1.694 20 0 GDADMM CC(C)(C)C(=O)N1CCC[C@H]([C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001573792177 949237343 /nfs/dbraw/zinc/23/73/43/949237343.db2.gz MFVQVLUOFZMAKD-UONOGXRCSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)(C)C(=O)N1CCC[C@H]([C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001573792177 949237364 /nfs/dbraw/zinc/23/73/64/949237364.db2.gz MFVQVLUOFZMAKD-UONOGXRCSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)c1oncc1C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCC1 ZINC001574451705 949238461 /nfs/dbraw/zinc/23/84/61/949238461.db2.gz VCBSJKWDUQVZJN-UHFFFAOYSA-N -1 1 383.416 1.533 20 0 GDADMM CC(C)c1oncc1C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCC1 ZINC001574451705 949238485 /nfs/dbraw/zinc/23/84/85/949238485.db2.gz VCBSJKWDUQVZJN-UHFFFAOYSA-N -1 1 383.416 1.533 20 0 GDADMM CC(C)(C)C(=O)N1CCC([C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001573792152 949241247 /nfs/dbraw/zinc/24/12/47/949241247.db2.gz LXLGQLIXXNTZOU-AWEZNQCLSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)c1oncc1C(=O)NCCN(c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001574451778 949245430 /nfs/dbraw/zinc/24/54/30/949245430.db2.gz YJJADLJPJMRVLU-UHFFFAOYSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1oncc1C(=O)NCCN(c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001574451778 949245445 /nfs/dbraw/zinc/24/54/45/949245445.db2.gz YJJADLJPJMRVLU-UHFFFAOYSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)n1cc(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)nn3)CCC2)cn1 ZINC001574451943 949248373 /nfs/dbraw/zinc/24/83/73/949248373.db2.gz BHXJEGZBOUIHFY-UHFFFAOYSA-N -1 1 382.432 1.199 20 0 GDADMM CC(C)n1cc(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)nn3)CCC2)cn1 ZINC001574451943 949248395 /nfs/dbraw/zinc/24/83/95/949248395.db2.gz BHXJEGZBOUIHFY-UHFFFAOYSA-N -1 1 382.432 1.199 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(Cl)c1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574940184 949253864 /nfs/dbraw/zinc/25/38/64/949253864.db2.gz ARPMBINPDJNBLG-LLVKDONJSA-N -1 1 386.847 1.139 20 0 GDADMM CC(C)n1cc(C(=O)N2CCC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001574452212 949254881 /nfs/dbraw/zinc/25/48/81/949254881.db2.gz GOLNTOYNQAJKJD-CYBMUJFWSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1cc(C(=O)N2CCC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001574452212 949254896 /nfs/dbraw/zinc/25/48/96/949254896.db2.gz GOLNTOYNQAJKJD-CYBMUJFWSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1cc(C(=O)NC2CC(CNc3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001574452256 949260216 /nfs/dbraw/zinc/26/02/16/949260216.db2.gz HXXDAYKSXBZSAD-UHFFFAOYSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cc(C(=O)NC2CC(CNc3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001574452256 949260238 /nfs/dbraw/zinc/26/02/38/949260238.db2.gz HXXDAYKSXBZSAD-UHFFFAOYSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cc(C(=O)N2CC[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001574452817 949266989 /nfs/dbraw/zinc/26/69/89/949266989.db2.gz NGFCQQFPXGAYAA-GFCCVEGCSA-N -1 1 382.432 1.008 20 0 GDADMM CC(C)n1cc(C(=O)N2CC[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001574452817 949267006 /nfs/dbraw/zinc/26/70/06/949267006.db2.gz NGFCQQFPXGAYAA-GFCCVEGCSA-N -1 1 382.432 1.008 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc2c(c1)CCC2)CNc1nccnc1-c1nnn[n-]1 ZINC001574940646 949274922 /nfs/dbraw/zinc/27/49/22/949274922.db2.gz ICXKDOZILJRDBL-CYBMUJFWSA-N -1 1 392.467 1.552 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc2c(c1)CCC2)CNc1nccnc1-c1nn[n-]n1 ZINC001574940646 949274945 /nfs/dbraw/zinc/27/49/45/949274945.db2.gz ICXKDOZILJRDBL-CYBMUJFWSA-N -1 1 392.467 1.552 20 0 GDADMM CC(C)(C)C(=O)N1CCC(N(CC2CC2)c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573792964 949278062 /nfs/dbraw/zinc/27/80/62/949278062.db2.gz ZBBPPRLEHYUOGI-UHFFFAOYSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)(C)C(=O)N1CCC(N(CC2CC2)c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573792964 949278078 /nfs/dbraw/zinc/27/80/78/949278078.db2.gz ZBBPPRLEHYUOGI-UHFFFAOYSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc2cccnc21)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574940750 949280021 /nfs/dbraw/zinc/28/00/21/949280021.db2.gz JSGOSWVHRRSQSZ-LBPRGKRZSA-N -1 1 389.423 1.364 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc2cccnc21)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574940750 949280043 /nfs/dbraw/zinc/28/00/43/949280043.db2.gz JSGOSWVHRRSQSZ-LBPRGKRZSA-N -1 1 389.423 1.364 20 0 GDADMM CC(C)CC(=O)N1CCCC[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001574108268 949289420 /nfs/dbraw/zinc/28/94/20/949289420.db2.gz MHZJMBQRIDPRHF-LJQANCHMSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)CC(=O)N1CCCC[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001574108268 949289444 /nfs/dbraw/zinc/28/94/44/949289444.db2.gz MHZJMBQRIDPRHF-LJQANCHMSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)CC(=O)N1CCCC[C@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001574109463 949319506 /nfs/dbraw/zinc/31/95/06/949319506.db2.gz ZGEBKZDDERQSFZ-IBGZPJMESA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)CC(=O)N1CCCC[C@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001574109463 949319528 /nfs/dbraw/zinc/31/95/28/949319528.db2.gz ZGEBKZDDERQSFZ-IBGZPJMESA-N -1 1 384.488 1.912 20 0 GDADMM CC1=C(C)C[C@@H](C(=O)N[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C)CC1 ZINC001575861518 949323242 /nfs/dbraw/zinc/32/32/42/949323242.db2.gz SXLYHFMDPFPGDE-QLFBSQMISA-N -1 1 382.472 1.734 20 0 GDADMM C[C@H](CNC(=O)Cc1ccco1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574942084 949334713 /nfs/dbraw/zinc/33/47/13/949334713.db2.gz VMDCGKAFHBQPDV-MRVPVSSYSA-N -1 1 381.849 1.753 20 0 GDADMM C[C@H](CNC(=O)Cc1ccco1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574942084 949334738 /nfs/dbraw/zinc/33/47/38/949334738.db2.gz VMDCGKAFHBQPDV-MRVPVSSYSA-N -1 1 381.849 1.753 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc2c(c1)CCCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574942124 949335115 /nfs/dbraw/zinc/33/51/15/949335115.db2.gz VVVOZKZIRLPZBA-ZDUSSCGKSA-N -1 1 392.467 1.695 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc2c(c1)CCCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574942124 949335142 /nfs/dbraw/zinc/33/51/42/949335142.db2.gz VVVOZKZIRLPZBA-ZDUSSCGKSA-N -1 1 392.467 1.695 20 0 GDADMM C[C@@H](Nc1nc(-c2nn[n-]n2)c(Cl)s1)[C@H](C)NC(=O)C1=CCOCC1 ZINC001575260056 949341581 /nfs/dbraw/zinc/34/15/81/949341581.db2.gz TZRIQPMQUDWNQD-JGVFFNPUSA-N -1 1 383.865 1.628 20 0 GDADMM C[C@@H](NC(=O)C1=CCOCC1)[C@@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001575260071 949344501 /nfs/dbraw/zinc/34/45/01/949344501.db2.gz UFFKKLSACQKCFR-HTQZYQBOSA-N -1 1 383.865 1.628 20 0 GDADMM C[C@@H](NC(=O)C1=CCOCC1)[C@@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575260071 949344520 /nfs/dbraw/zinc/34/45/20/949344520.db2.gz UFFKKLSACQKCFR-HTQZYQBOSA-N -1 1 383.865 1.628 20 0 GDADMM CC1=CC[C@](C)(C(=O)NC[C@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575863263 949347669 /nfs/dbraw/zinc/34/76/69/949347669.db2.gz BDZPQVZHFGRJNS-KUHUBIRLSA-N -1 1 382.472 1.878 20 0 GDADMM CC1=CC[C@](C)(C(=O)NC[C@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575863263 949347686 /nfs/dbraw/zinc/34/76/86/949347686.db2.gz BDZPQVZHFGRJNS-KUHUBIRLSA-N -1 1 382.472 1.878 20 0 GDADMM CC(C)n1cccc1C(=O)N(C)C1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574460956 949380531 /nfs/dbraw/zinc/38/05/31/949380531.db2.gz ZXDMXYVPYWBOLI-UHFFFAOYSA-N -1 1 381.444 1.176 20 0 GDADMM CC(C)CC(=O)N[C@@H]1[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)[C@@H]2C1(C)C ZINC001574112599 949385700 /nfs/dbraw/zinc/38/57/00/949385700.db2.gz LGLJHTVBAZMYBG-WQVCFCJDSA-N -1 1 384.488 1.812 20 0 GDADMM CC1(C(=O)N2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C(C)(C)C2)CC(F)(F)C1 ZINC001575528423 949400038 /nfs/dbraw/zinc/40/00/38/949400038.db2.gz VROVTZNFZUERKT-NSHDSACASA-N -1 1 392.414 1.741 20 0 GDADMM CC1(C(=O)N2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C(C)(C)C2)CC(F)(F)C1 ZINC001575528423 949400058 /nfs/dbraw/zinc/40/00/58/949400058.db2.gz VROVTZNFZUERKT-NSHDSACASA-N -1 1 392.414 1.741 20 0 GDADMM C[C@H]1CCC[C@@H]1CC(=O)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576155589 949409921 /nfs/dbraw/zinc/40/99/21/949409921.db2.gz JJCVOSYCFSQUKE-DZGCQCFKSA-N -1 1 384.488 1.555 20 0 GDADMM C[C@H]1CCC[C@@H]1CC(=O)N(C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576155531 949410776 /nfs/dbraw/zinc/41/07/76/949410776.db2.gz VDGYDPBOGPHVLX-UONOGXRCSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CCC[C@@H]1CC(=O)N(C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576155531 949410796 /nfs/dbraw/zinc/41/07/96/949410796.db2.gz VDGYDPBOGPHVLX-UONOGXRCSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](CN(C)C(=O)C1=COCCC1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574705119 949418252 /nfs/dbraw/zinc/41/82/52/949418252.db2.gz RLGPJTVNXVQRBU-MRVPVSSYSA-N -1 1 383.865 1.930 20 0 GDADMM C[C@H](CN(C)C(=O)C1=COCCC1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574705119 949418259 /nfs/dbraw/zinc/41/82/59/949418259.db2.gz RLGPJTVNXVQRBU-MRVPVSSYSA-N -1 1 383.865 1.930 20 0 GDADMM CC(C)n1cnc(C(=O)N2CCC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001574464623 949420486 /nfs/dbraw/zinc/42/04/86/949420486.db2.gz OPXMMOSWJQFESE-LBPRGKRZSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1cnc(C(=O)N2CCC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001574464623 949420499 /nfs/dbraw/zinc/42/04/99/949420499.db2.gz OPXMMOSWJQFESE-LBPRGKRZSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@@H](CNC(=O)Cc1cscn1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574945989 949423226 /nfs/dbraw/zinc/42/32/26/949423226.db2.gz RFVIJIBSSUJUOP-LURJTMIESA-N -1 1 384.878 1.592 20 0 GDADMM C[C@@H](CNC(=O)Cc1cscn1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574945989 949423236 /nfs/dbraw/zinc/42/32/36/949423236.db2.gz RFVIJIBSSUJUOP-LURJTMIESA-N -1 1 384.878 1.592 20 0 GDADMM CC(C)n1cnc(C(=O)N(C)C2CC(Nc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001574464697 949423483 /nfs/dbraw/zinc/42/34/83/949423483.db2.gz SFHXWRAHKKDHBQ-UHFFFAOYSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1cnc(C(=O)N(C)C2CC(Nc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001574464697 949423497 /nfs/dbraw/zinc/42/34/97/949423497.db2.gz SFHXWRAHKKDHBQ-UHFFFAOYSA-N -1 1 382.432 1.149 20 0 GDADMM C[C@H]1CCC[C@H]1CC(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001576155948 949428328 /nfs/dbraw/zinc/42/83/28/949428328.db2.gz KOGXPJMDFQCABC-ZQDZILKHSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H]1CCC[C@H]1CC(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001576155948 949428337 /nfs/dbraw/zinc/42/83/37/949428337.db2.gz KOGXPJMDFQCABC-ZQDZILKHSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H](CNC(=O)Cc1ncc[nH]1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574946342 949435534 /nfs/dbraw/zinc/43/55/34/949435534.db2.gz VETUFUXRTUJPKQ-ZETCQYMHSA-N -1 1 381.853 1.107 20 0 GDADMM C[C@@H](CNC(=O)Cc1ncc[nH]1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574946342 949435552 /nfs/dbraw/zinc/43/55/52/949435552.db2.gz VETUFUXRTUJPKQ-ZETCQYMHSA-N -1 1 381.853 1.107 20 0 GDADMM C[C@@H](NC(=O)CC(C)(C)CC(F)F)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575265291 949447466 /nfs/dbraw/zinc/44/74/66/949447466.db2.gz TXTMSKAOBFBOOV-NXEZZACHSA-N -1 1 382.419 1.455 20 0 GDADMM CC1(C(=O)N2C[C@@H]3CCC[C@@H](Nc4nccnc4-c4nnn[n-]4)[C@@H]3C2)CCC1 ZINC001575535568 949450178 /nfs/dbraw/zinc/45/01/78/949450178.db2.gz YUZLCIWDMZUBKZ-BFHYXJOUSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(C(=O)N2C[C@@H]3CCC[C@@H](Nc4nccnc4-c4nn[n-]n4)[C@@H]3C2)CCC1 ZINC001575535568 949450193 /nfs/dbraw/zinc/45/01/93/949450193.db2.gz YUZLCIWDMZUBKZ-BFHYXJOUSA-N -1 1 382.472 1.886 20 0 GDADMM CC(C)n1cnc(C(=O)NC[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001574468016 949452117 /nfs/dbraw/zinc/45/21/17/949452117.db2.gz DNNQNMPEPFHJTI-HAQNSBGRSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cnc(C(=O)NC[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001574468016 949452133 /nfs/dbraw/zinc/45/21/33/949452133.db2.gz DNNQNMPEPFHJTI-HAQNSBGRSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@@H]1CCC[C@@H](C(=O)N2CCC(N(C)c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001576156932 949463365 /nfs/dbraw/zinc/46/33/65/949463365.db2.gz YDAVYROSKSVDQH-ZIAGYGMSSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCC[C@@H](C(=O)N2CCC(N(C)c3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC001576156932 949463385 /nfs/dbraw/zinc/46/33/85/949463385.db2.gz YDAVYROSKSVDQH-ZIAGYGMSSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)n1ncc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)c1Br ZINC001574468540 949464225 /nfs/dbraw/zinc/46/42/25/949464225.db2.gz PCTRHDSNMRQRPO-UHFFFAOYSA-N -1 1 391.233 1.732 20 0 GDADMM CC(C)n1ncc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)c1Br ZINC001574468540 949464240 /nfs/dbraw/zinc/46/42/40/949464240.db2.gz PCTRHDSNMRQRPO-UHFFFAOYSA-N -1 1 391.233 1.732 20 0 GDADMM CC(C)n1nccc1C(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001574469309 949475281 /nfs/dbraw/zinc/47/52/81/949475281.db2.gz AWAOMIBUWAWXOJ-GFCCVEGCSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1nccc1C(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001574469309 949475306 /nfs/dbraw/zinc/47/53/06/949475306.db2.gz AWAOMIBUWAWXOJ-GFCCVEGCSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1nccc1C(=O)NC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001574469293 949476584 /nfs/dbraw/zinc/47/65/84/949476584.db2.gz AEXJRXFUBTXNRA-GFCCVEGCSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1nccc1C(=O)NC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001574469293 949476597 /nfs/dbraw/zinc/47/65/97/949476597.db2.gz AEXJRXFUBTXNRA-GFCCVEGCSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2(C(F)F)CC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575869902 949479979 /nfs/dbraw/zinc/47/99/79/949479979.db2.gz SNSZZQZHUXCYGO-VHSXEESVSA-N -1 1 378.387 1.176 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2(C(F)F)CC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575869902 949479995 /nfs/dbraw/zinc/47/99/95/949479995.db2.gz SNSZZQZHUXCYGO-VHSXEESVSA-N -1 1 378.387 1.176 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cc[nH]c1 ZINC001576157461 949482624 /nfs/dbraw/zinc/48/26/24/949482624.db2.gz QUFUAYVNZDSPPQ-XIKOKIGWSA-N -1 1 381.444 1.776 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cc[nH]c1 ZINC001576157461 949482643 /nfs/dbraw/zinc/48/26/43/949482643.db2.gz QUFUAYVNZDSPPQ-XIKOKIGWSA-N -1 1 381.444 1.776 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccon1 ZINC001576157470 949488396 /nfs/dbraw/zinc/48/83/96/949488396.db2.gz QVTIYGDHMJSTKQ-DIFFPNOSSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccon1 ZINC001576157470 949488410 /nfs/dbraw/zinc/48/84/10/949488410.db2.gz QVTIYGDHMJSTKQ-DIFFPNOSSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1ccc[nH]1 ZINC001576158125 949492048 /nfs/dbraw/zinc/49/20/48/949492048.db2.gz SEASBSGFZOGPST-KPZWWZAWSA-N -1 1 381.444 1.776 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ccc[nH]1 ZINC001576158125 949492062 /nfs/dbraw/zinc/49/20/62/949492062.db2.gz SEASBSGFZOGPST-KPZWWZAWSA-N -1 1 381.444 1.776 20 0 GDADMM CC(C)(C)C(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573806806 949496664 /nfs/dbraw/zinc/49/66/64/949496664.db2.gz WXCAPZRYUJMKBK-GDBMZVCRSA-N -1 1 378.440 1.897 20 0 GDADMM CC(C)(C)C(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573806806 949496675 /nfs/dbraw/zinc/49/66/75/949496675.db2.gz WXCAPZRYUJMKBK-GDBMZVCRSA-N -1 1 378.440 1.897 20 0 GDADMM C[C@@H](NC(=O)CC1(C(F)(F)F)CC1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575267296 949497551 /nfs/dbraw/zinc/49/75/51/949497551.db2.gz HWBCNZKFIWFWMF-DTWKUNHWSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](NC(=O)CC1(C(F)(F)F)CC1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575267296 949497569 /nfs/dbraw/zinc/49/75/69/949497569.db2.gz HWBCNZKFIWFWMF-DTWKUNHWSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccc[nH]1 ZINC001576158848 949504062 /nfs/dbraw/zinc/50/40/62/949504062.db2.gz VCBSZJOUFDQLMC-KZULUSFZSA-N -1 1 381.444 1.776 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccc[nH]1 ZINC001576158848 949504072 /nfs/dbraw/zinc/50/40/72/949504072.db2.gz VCBSZJOUFDQLMC-KZULUSFZSA-N -1 1 381.444 1.776 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C(C)(C)C(F)F)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575871067 949506157 /nfs/dbraw/zinc/50/61/57/949506157.db2.gz YKMLUWGRJKNMDY-NXEZZACHSA-N -1 1 380.403 1.422 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C(C)(C)C(F)F)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575871067 949506177 /nfs/dbraw/zinc/50/61/77/949506177.db2.gz YKMLUWGRJKNMDY-NXEZZACHSA-N -1 1 380.403 1.422 20 0 GDADMM C[C@@H](CNC(=O)Nc1ccnc(-c2nnn[n-]2)c1)CN(C)C(=O)OC(C)(C)C ZINC001574949859 949516553 /nfs/dbraw/zinc/51/65/53/949516553.db2.gz FLNXHJWJTMSQAE-NSHDSACASA-N -1 1 390.448 1.886 20 0 GDADMM C[C@@H](CNC(=O)Nc1ccnc(-c2nn[n-]n2)c1)CN(C)C(=O)OC(C)(C)C ZINC001574949859 949516573 /nfs/dbraw/zinc/51/65/73/949516573.db2.gz FLNXHJWJTMSQAE-NSHDSACASA-N -1 1 390.448 1.886 20 0 GDADMM CC(C)CC(=O)NCc1cccc2c1CCN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001574123137 949541324 /nfs/dbraw/zinc/54/13/24/949541324.db2.gz IMNFCORJDYVSJQ-UHFFFAOYSA-N -1 1 392.467 1.882 20 0 GDADMM CC1(C(=O)N2CC[C@]3(CCN(c4nccnc4-c4nnn[n-]4)C3)C2)CCCC1 ZINC001575539416 949548342 /nfs/dbraw/zinc/54/83/42/949548342.db2.gz PWTQXTIQKSXVBV-IBGZPJMESA-N -1 1 382.472 1.666 20 0 GDADMM CC1(C(=O)N2CC[C@]3(CCN(c4nccnc4-c4nn[n-]n4)C3)C2)CCCC1 ZINC001575539416 949548360 /nfs/dbraw/zinc/54/83/60/949548360.db2.gz PWTQXTIQKSXVBV-IBGZPJMESA-N -1 1 382.472 1.666 20 0 GDADMM C[C@H](CC(=O)N(C)[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1)c1ccncc1 ZINC001574472211 949549071 /nfs/dbraw/zinc/54/90/71/949549071.db2.gz SASHKQSMLLMTTI-OLZOCXBDSA-N -1 1 381.444 1.504 20 0 GDADMM C[C@H](CC(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1)c1ccncc1 ZINC001574472211 949549082 /nfs/dbraw/zinc/54/90/82/949549082.db2.gz SASHKQSMLLMTTI-OLZOCXBDSA-N -1 1 381.444 1.504 20 0 GDADMM C[C@H](CC(=O)N(C)[C@H](C)CNc1cnc(-c2nnn[n-]2)cn1)c1ccncc1 ZINC001574472457 949553455 /nfs/dbraw/zinc/55/34/55/949553455.db2.gz VCWJSQVDVICCIG-CHWSQXEVSA-N -1 1 381.444 1.504 20 0 GDADMM C[C@H](CC(=O)N(C)[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1)c1ccncc1 ZINC001574472457 949553477 /nfs/dbraw/zinc/55/34/77/949553477.db2.gz VCWJSQVDVICCIG-CHWSQXEVSA-N -1 1 381.444 1.504 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2(CCF)CC2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576164572 949557682 /nfs/dbraw/zinc/55/76/82/949557682.db2.gz HLOTYUADSDCSEL-TZMCWYRMSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2(CCF)CC2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576164572 949557699 /nfs/dbraw/zinc/55/76/99/949557699.db2.gz HLOTYUADSDCSEL-TZMCWYRMSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@@H](CN(C)C(=O)CC(C)(C)CC(F)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574712190 949567583 /nfs/dbraw/zinc/56/75/83/949567583.db2.gz QCYSZPIGLWNFSY-JTQLQIEISA-N -1 1 382.419 1.987 20 0 GDADMM C[C@@H](CN(C)C(=O)CC(C)(C)CC(F)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574712190 949567590 /nfs/dbraw/zinc/56/75/90/949567590.db2.gz QCYSZPIGLWNFSY-JTQLQIEISA-N -1 1 382.419 1.987 20 0 GDADMM CC(C)C[C@@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)n1ccnc1 ZINC001574124417 949569882 /nfs/dbraw/zinc/56/98/82/949569882.db2.gz HGJKFSUAQXMDEX-ZDUSSCGKSA-N -1 1 386.464 1.047 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1CCc2ccccc2C1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574712363 949573465 /nfs/dbraw/zinc/57/34/65/949573465.db2.gz RISPQJFYJRQVLR-CJNGLKHVSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1CCc2ccccc2C1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574712363 949573488 /nfs/dbraw/zinc/57/34/88/949573488.db2.gz RISPQJFYJRQVLR-CJNGLKHVSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@H](NC(=O)CC1CCCC1)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575270167 949575721 /nfs/dbraw/zinc/57/57/21/949575721.db2.gz YIYAIGSEGRTOLO-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](NC(=O)CC1CCCC1)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575270167 949575743 /nfs/dbraw/zinc/57/57/43/949575743.db2.gz YIYAIGSEGRTOLO-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CC(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574475871 949578989 /nfs/dbraw/zinc/57/89/89/949578989.db2.gz CSYJDZBNWDUKNN-GDBMZVCRSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2(F)CCCC2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576166417 949580222 /nfs/dbraw/zinc/58/02/22/949580222.db2.gz LNYYOZQKEXTDGU-CHWSQXEVSA-N -1 1 388.451 1.400 20 0 GDADMM C[C@H](NC(=O)CCCC1CC1)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575270688 949595919 /nfs/dbraw/zinc/59/59/19/949595919.db2.gz FAFXUCIFRUTONQ-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](NC(=O)CCCC1CC1)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575270688 949595948 /nfs/dbraw/zinc/59/59/48/949595948.db2.gz FAFXUCIFRUTONQ-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](NC(=O)CCC1CCC1)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575270748 949602137 /nfs/dbraw/zinc/60/21/37/949602137.db2.gz FXRPKRWANJVAMM-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](NC(=O)CCC1CCC1)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575270748 949602144 /nfs/dbraw/zinc/60/21/44/949602144.db2.gz FXRPKRWANJVAMM-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](NC(=O)CCCc1ccccn1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575271335 949615181 /nfs/dbraw/zinc/61/51/81/949615181.db2.gz JROFMEJGBDIMKA-STQMWFEESA-N -1 1 381.444 1.380 20 0 GDADMM C[C@H](NC(=O)CCCc1ccccn1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575271335 949615194 /nfs/dbraw/zinc/61/51/94/949615194.db2.gz JROFMEJGBDIMKA-STQMWFEESA-N -1 1 381.444 1.380 20 0 GDADMM CC(C)CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001574127795 949617559 /nfs/dbraw/zinc/61/75/59/949617559.db2.gz KHZXAZJFFDGYHW-OKILXGFUSA-N -1 1 384.488 1.909 20 0 GDADMM CC(C)CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001574127795 949617573 /nfs/dbraw/zinc/61/75/73/949617573.db2.gz KHZXAZJFFDGYHW-OKILXGFUSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@H](CNC(=O)[C@]12C[C@H]1COC2)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001574957621 949624650 /nfs/dbraw/zinc/62/46/50/949624650.db2.gz CUFWTZISQIHSGE-FZVNPBSJSA-N -1 1 383.865 1.177 20 0 GDADMM C[C@H](CNC(=O)[C@]12C[C@H]1COC2)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001574957621 949624655 /nfs/dbraw/zinc/62/46/55/949624655.db2.gz CUFWTZISQIHSGE-FZVNPBSJSA-N -1 1 383.865 1.177 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574957711 949629190 /nfs/dbraw/zinc/62/91/90/949629190.db2.gz GODWAALCJWQVGF-KGLIPLIRSA-N -1 1 380.456 1.476 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574957711 949629200 /nfs/dbraw/zinc/62/92/00/949629200.db2.gz GODWAALCJWQVGF-KGLIPLIRSA-N -1 1 380.456 1.476 20 0 GDADMM C[C@H]1[C@H](NC(=O)Cc2ccccc2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575875525 949633910 /nfs/dbraw/zinc/63/39/10/949633910.db2.gz IKCFKCIDFXTEKE-DZGCQCFKSA-N -1 1 378.440 1.373 20 0 GDADMM C[C@H]1[C@H](NC(=O)Cc2ccccc2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575875525 949633922 /nfs/dbraw/zinc/63/39/22/949633922.db2.gz IKCFKCIDFXTEKE-DZGCQCFKSA-N -1 1 378.440 1.373 20 0 GDADMM C[C@H]1CCCC[C@H]1OCC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576168434 949635617 /nfs/dbraw/zinc/63/56/17/949635617.db2.gz ULVYCIZJNOCQIC-PWNZVWSESA-N -1 1 386.460 1.311 20 0 GDADMM C[C@H]1CCCC[C@H]1OCC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576168434 949635632 /nfs/dbraw/zinc/63/56/32/949635632.db2.gz ULVYCIZJNOCQIC-PWNZVWSESA-N -1 1 386.460 1.311 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ccccc1O ZINC001573814297 949638411 /nfs/dbraw/zinc/63/84/11/949638411.db2.gz DBSPFENJQHXMCO-AWEZNQCLSA-N -1 1 382.428 1.619 20 0 GDADMM C[C@H](CNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574957820 949638864 /nfs/dbraw/zinc/63/88/64/949638864.db2.gz IYDODCVDNBQJEV-TVZGQMOCSA-N -1 1 378.440 1.767 20 0 GDADMM C[C@H](CNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574957820 949638881 /nfs/dbraw/zinc/63/88/81/949638881.db2.gz IYDODCVDNBQJEV-TVZGQMOCSA-N -1 1 378.440 1.767 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CCC(C)(F)F)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575876211 949640927 /nfs/dbraw/zinc/64/09/27/949640927.db2.gz XFOCOGBPXOBPKZ-MNOVXSKESA-N -1 1 380.403 1.566 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CCC(C)(F)F)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575876211 949640938 /nfs/dbraw/zinc/64/09/38/949640938.db2.gz XFOCOGBPXOBPKZ-MNOVXSKESA-N -1 1 380.403 1.566 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2CC3(CC3)C2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576168505 949641231 /nfs/dbraw/zinc/64/12/31/949641231.db2.gz UYXFKADNQWJHPE-DOMZBBRYSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2CC3(CC3)C2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576168505 949641247 /nfs/dbraw/zinc/64/12/47/949641247.db2.gz UYXFKADNQWJHPE-DOMZBBRYSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccsc1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574958052 949648234 /nfs/dbraw/zinc/64/82/34/949648234.db2.gz DVFRTCQTXITMCE-WCFLWFBJSA-N -1 1 384.469 1.686 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccsc1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574958052 949648254 /nfs/dbraw/zinc/64/82/54/949648254.db2.gz DVFRTCQTXITMCE-WCFLWFBJSA-N -1 1 384.469 1.686 20 0 GDADMM C[C@@H]1CCCC[C@H]1OCC(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576168820 949650307 /nfs/dbraw/zinc/65/03/07/949650307.db2.gz WDQWNJDHUURAAX-RGCMKSIDSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H]1CCCC[C@H]1OCC(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576168820 949650319 /nfs/dbraw/zinc/65/03/19/949650319.db2.gz WDQWNJDHUURAAX-RGCMKSIDSA-N -1 1 386.460 1.311 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CCc1ccco1 ZINC001573815247 949653207 /nfs/dbraw/zinc/65/32/07/949653207.db2.gz HJEOVIYDHZTGCS-CQSZACIVSA-N -1 1 384.444 1.825 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CCc1ccco1 ZINC001573815247 949653217 /nfs/dbraw/zinc/65/32/17/949653217.db2.gz HJEOVIYDHZTGCS-CQSZACIVSA-N -1 1 384.444 1.825 20 0 GDADMM CC1(C(=O)N2CCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)CC(F)(F)C1 ZINC001575548104 949655291 /nfs/dbraw/zinc/65/52/91/949655291.db2.gz QYOJZPYTTAIQIM-SNVBAGLBSA-N -1 1 378.387 1.495 20 0 GDADMM CC1(C(=O)N2CCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)CC(F)(F)C1 ZINC001575548104 949655304 /nfs/dbraw/zinc/65/53/04/949655304.db2.gz QYOJZPYTTAIQIM-SNVBAGLBSA-N -1 1 378.387 1.495 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CC(C)(C)C2CC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575877283 949663250 /nfs/dbraw/zinc/66/32/50/949663250.db2.gz ZGHARGQDGBVQAX-OCCSQVGLSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CC(C)(C)C2CC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575877283 949663261 /nfs/dbraw/zinc/66/32/61/949663261.db2.gz ZGHARGQDGBVQAX-OCCSQVGLSA-N -1 1 384.488 1.957 20 0 GDADMM CC1(C(=O)N2CCO[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)CCCCC1 ZINC001575548339 949668744 /nfs/dbraw/zinc/66/87/44/949668744.db2.gz XKWNWIULIODDQK-CYBMUJFWSA-N -1 1 386.460 1.266 20 0 GDADMM CC1(C(=O)N2CCO[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)CCCCC1 ZINC001575548339 949668760 /nfs/dbraw/zinc/66/87/60/949668760.db2.gz XKWNWIULIODDQK-CYBMUJFWSA-N -1 1 386.460 1.266 20 0 GDADMM CC1(C(=O)N2C[C@@H]3CCC[C@]3(CNc3ccnc(-c4nn[n-]n4)n3)C2)CCC1 ZINC001575552670 949681901 /nfs/dbraw/zinc/68/19/01/949681901.db2.gz GUKPFBCVCUTPRA-DJJJIMSYSA-N -1 1 382.472 1.309 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CCc2ccccc2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575879313 949683395 /nfs/dbraw/zinc/68/33/95/949683395.db2.gz QFGQMPNUHRHAIH-HOCLYGCPSA-N -1 1 392.467 1.763 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CCc2ccccc2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575879313 949683411 /nfs/dbraw/zinc/68/34/11/949683411.db2.gz QFGQMPNUHRHAIH-HOCLYGCPSA-N -1 1 392.467 1.763 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CCc2ccccc2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575879316 949685403 /nfs/dbraw/zinc/68/54/03/949685403.db2.gz QFGQMPNUHRHAIH-ZBFHGGJFSA-N -1 1 392.467 1.763 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CCc2ccccc2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575879316 949685417 /nfs/dbraw/zinc/68/54/17/949685417.db2.gz QFGQMPNUHRHAIH-ZBFHGGJFSA-N -1 1 392.467 1.763 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@@H]1CCCC1(F)F)Nc1nccnc1-c1nnn[n-]1 ZINC001574716453 949691836 /nfs/dbraw/zinc/69/18/36/949691836.db2.gz OUVIAOPRMCJZLC-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@@H]1CCCC1(F)F)Nc1nccnc1-c1nn[n-]n1 ZINC001574716453 949691848 /nfs/dbraw/zinc/69/18/48/949691848.db2.gz OUVIAOPRMCJZLC-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](NC(=O)CCc1ccc(F)cc1)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575275399 949695158 /nfs/dbraw/zinc/69/51/58/949695158.db2.gz CBKOSEVICCYDNV-VXGBXAGGSA-N -1 1 384.419 1.734 20 0 GDADMM C[C@@H](NC(=O)CCc1ccc(F)cc1)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575275399 949695171 /nfs/dbraw/zinc/69/51/71/949695171.db2.gz CBKOSEVICCYDNV-VXGBXAGGSA-N -1 1 384.419 1.734 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C(C)(C)C(F)F ZINC001573818128 949717690 /nfs/dbraw/zinc/71/76/90/949717690.db2.gz GVXZIKUJLGREOY-SNVBAGLBSA-N -1 1 382.419 1.891 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C(C)(C)C(F)F ZINC001573818128 949717705 /nfs/dbraw/zinc/71/77/05/949717705.db2.gz GVXZIKUJLGREOY-SNVBAGLBSA-N -1 1 382.419 1.891 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cc(Cl)c[nH]1 ZINC001573818176 949723285 /nfs/dbraw/zinc/72/32/85/949723285.db2.gz HPVACCCJRKBNJB-LBPRGKRZSA-N -1 1 389.851 1.895 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cc(Cl)c[nH]1 ZINC001573818176 949723301 /nfs/dbraw/zinc/72/33/01/949723301.db2.gz HPVACCCJRKBNJB-LBPRGKRZSA-N -1 1 389.851 1.895 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001574136307 949745015 /nfs/dbraw/zinc/74/50/15/949745015.db2.gz OCZRCKYKNCMAEL-OFQRWUPVSA-N -1 1 384.488 1.766 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001574136307 949745027 /nfs/dbraw/zinc/74/50/27/949745027.db2.gz OCZRCKYKNCMAEL-OFQRWUPVSA-N -1 1 384.488 1.766 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cccc(F)c1 ZINC001573819780 949759636 /nfs/dbraw/zinc/75/96/36/949759636.db2.gz VDKVKWKMBYCBDP-CYBMUJFWSA-N -1 1 384.419 1.474 20 0 GDADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccoc1Cl ZINC001573820688 949767327 /nfs/dbraw/zinc/76/73/27/949767327.db2.gz YTYKSRSELRAIOZ-JTQLQIEISA-N -1 1 390.835 1.582 20 0 GDADMM C[C@H](CN(C)C(=O)CC[C@H]1CC(C)(C)CO1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574718494 949779690 /nfs/dbraw/zinc/77/96/90/949779690.db2.gz YBBFJNDUIUDUOL-OLZOCXBDSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CN(C)C(=O)CC[C@H]1CC(C)(C)CO1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574718494 949779707 /nfs/dbraw/zinc/77/97/07/949779707.db2.gz YBBFJNDUIUDUOL-OLZOCXBDSA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)C[C@H](C)CC(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC001574138168 949780707 /nfs/dbraw/zinc/78/07/07/949780707.db2.gz BIXBYXCSGKDZFD-KBPBESRZSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)C[C@H](C)CC(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC001574138168 949780727 /nfs/dbraw/zinc/78/07/27/949780727.db2.gz BIXBYXCSGKDZFD-KBPBESRZSA-N -1 1 388.476 1.050 20 0 GDADMM CC1(C(=O)N[C@@H]2CCC[C@H]2CNc2nccnc2-c2nnn[n-]2)CCOCC1 ZINC001575562960 949833984 /nfs/dbraw/zinc/83/39/84/949833984.db2.gz IVLINMYWIBWHEL-QWHCGFSZSA-N -1 1 386.460 1.170 20 0 GDADMM CC1(C(=O)N[C@@H]2CCC[C@H]2CNc2nccnc2-c2nn[n-]n2)CCOCC1 ZINC001575562960 949834003 /nfs/dbraw/zinc/83/40/03/949834003.db2.gz IVLINMYWIBWHEL-QWHCGFSZSA-N -1 1 386.460 1.170 20 0 GDADMM CC1(C(=O)N[C@@H]2CC[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]3C2)CCC1 ZINC001575563090 949836088 /nfs/dbraw/zinc/83/60/88/949836088.db2.gz JEAFWPAHYCRFAD-BFHYXJOUSA-N -1 1 382.472 1.568 20 0 GDADMM CC1(C(=O)N[C@@H]2CC[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]3C2)CCC1 ZINC001575563090 949836112 /nfs/dbraw/zinc/83/61/12/949836112.db2.gz JEAFWPAHYCRFAD-BFHYXJOUSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](CNC(=O)[C@H]1C[C@@H]1C(F)F)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574966345 949847100 /nfs/dbraw/zinc/84/71/00/949847100.db2.gz XTZRNJPWUYFDBS-ZLUOBGJFSA-N -1 1 377.808 1.794 20 0 GDADMM C[C@H]1CCCC[C@H]1CC(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576174084 949849216 /nfs/dbraw/zinc/84/92/16/949849216.db2.gz ZUOXEAFZLLVGSA-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C)C1CC(C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)C1 ZINC001573824411 949851692 /nfs/dbraw/zinc/85/16/92/949851692.db2.gz FMUXIGASWVYNQD-LLYMFKJOSA-N -1 1 382.472 1.280 20 0 GDADMM CC(C)(C)C1CC(C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)C1 ZINC001573824411 949851718 /nfs/dbraw/zinc/85/17/18/949851718.db2.gz FMUXIGASWVYNQD-LLYMFKJOSA-N -1 1 382.472 1.280 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001574483974 949851979 /nfs/dbraw/zinc/85/19/79/949851979.db2.gz AXABXZIJGSRHKL-WQVCFCJDSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001574483974 949852004 /nfs/dbraw/zinc/85/20/04/949852004.db2.gz AXABXZIJGSRHKL-WQVCFCJDSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H]2[C@H]1CCN2c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001574483971 949852812 /nfs/dbraw/zinc/85/28/12/949852812.db2.gz AXABXZIJGSRHKL-DAXOMENPSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H]2[C@H]1CCN2c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001574483971 949852834 /nfs/dbraw/zinc/85/28/34/949852834.db2.gz AXABXZIJGSRHKL-DAXOMENPSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1)c1ccccc1 ZINC001574484048 949856037 /nfs/dbraw/zinc/85/60/37/949856037.db2.gz RIPLMVJUFMBYAI-CQSZACIVSA-N -1 1 378.440 1.499 20 0 GDADMM C[C@H](CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1)c1ccccc1 ZINC001574484048 949856061 /nfs/dbraw/zinc/85/60/61/949856061.db2.gz RIPLMVJUFMBYAI-CQSZACIVSA-N -1 1 378.440 1.499 20 0 GDADMM CC(C)(C)[C@@H](O)C[C@H](CO)NC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573825248 949867213 /nfs/dbraw/zinc/86/72/13/949867213.db2.gz OEINGENAELDVQW-RQJHMYQMSA-N -1 1 389.869 1.256 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)NC[C@H]1COCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001574142400 949870773 /nfs/dbraw/zinc/87/07/73/949870773.db2.gz YOQVHWQDXJQGMK-KGLIPLIRSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)NC[C@H]1COCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001574142400 949870790 /nfs/dbraw/zinc/87/07/90/949870790.db2.gz YOQVHWQDXJQGMK-KGLIPLIRSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@H](NC(=O)Cc1cc(C2CC2)no1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575283934 949885924 /nfs/dbraw/zinc/88/59/24/949885924.db2.gz RQFDGNWUDATQFQ-UWVGGRQHSA-N -1 1 383.416 1.070 20 0 GDADMM C[C@H](NC(=O)Cc1cc(C2CC2)no1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575283934 949885941 /nfs/dbraw/zinc/88/59/41/949885941.db2.gz RQFDGNWUDATQFQ-UWVGGRQHSA-N -1 1 383.416 1.070 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1)C(F)(F)F ZINC001574484677 949891042 /nfs/dbraw/zinc/89/10/42/949891042.db2.gz LXDUBVCJHLVPJY-VHSXEESVSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1)C(F)(F)F ZINC001574484677 949891063 /nfs/dbraw/zinc/89/10/63/949891063.db2.gz LXDUBVCJHLVPJY-VHSXEESVSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](NC(=O)COc1ccc(F)cc1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575284288 949899629 /nfs/dbraw/zinc/89/96/29/949899629.db2.gz TYLVVKJKZKAKJF-WDEREUQCSA-N -1 1 386.391 1.180 20 0 GDADMM C[C@@H](NC(=O)COc1ccc(F)cc1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575284288 949899650 /nfs/dbraw/zinc/89/96/50/949899650.db2.gz TYLVVKJKZKAKJF-WDEREUQCSA-N -1 1 386.391 1.180 20 0 GDADMM CC(C)(C)/C=C/C(=O)N1CCC[C@](CO)(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573827559 949918562 /nfs/dbraw/zinc/91/85/62/949918562.db2.gz MLWVDIPKZCUUOV-KOEDOTQGSA-N -1 1 386.460 1.024 20 0 GDADMM CC(C)(C)/C=C/C(=O)N1CCC[C@](CO)(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573827559 949918587 /nfs/dbraw/zinc/91/85/87/949918587.db2.gz MLWVDIPKZCUUOV-KOEDOTQGSA-N -1 1 386.460 1.024 20 0 GDADMM C[C@@H](CC(=O)N1CCCC[C@H]1CN(C)c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001574485669 949924618 /nfs/dbraw/zinc/92/46/18/949924618.db2.gz YPKHEUYNBXAVTJ-ZFWWWQNUSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](CC(=O)N1CCCC[C@H]1CN(C)c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001574485669 949924632 /nfs/dbraw/zinc/92/46/32/949924632.db2.gz YPKHEUYNBXAVTJ-ZFWWWQNUSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](CC(=O)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1)c1ccccc1 ZINC001574485283 949925527 /nfs/dbraw/zinc/92/55/27/949925527.db2.gz WPSGBJOIJMSNLV-HNNXBMFYSA-N -1 1 392.467 1.889 20 0 GDADMM C[C@@H](CC(=O)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1)c1ccccc1 ZINC001574485283 949925541 /nfs/dbraw/zinc/92/55/41/949925541.db2.gz WPSGBJOIJMSNLV-HNNXBMFYSA-N -1 1 392.467 1.889 20 0 GDADMM C[C@@H]1CCN(C(=O)CCC(F)F)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576180154 949938708 /nfs/dbraw/zinc/93/87/08/949938708.db2.gz CMFHKXGGAOFDDU-MNOVXSKESA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H]1CCN(C(=O)CCC(F)F)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576180154 949938722 /nfs/dbraw/zinc/93/87/22/949938722.db2.gz CMFHKXGGAOFDDU-MNOVXSKESA-N -1 1 380.403 1.599 20 0 GDADMM CCCN1CCN(c2ccc(NC(=O)NC[C@](C)(O)C(=O)[O-])cc2Cl)CC1 ZINC001589674646 949982118 /nfs/dbraw/zinc/98/21/18/949982118.db2.gz CRLVQUPWAJUPTE-SFHVURJKSA-N -1 1 398.891 1.829 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1cc2ccccc2o1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574728531 949990977 /nfs/dbraw/zinc/99/09/77/949990977.db2.gz CAVIIZSRDWMXIW-GFCCVEGCSA-N -1 1 392.423 1.326 20 0 GDADMM CC(C)(C)CC(=O)N1CC[C@@]2(C1)CCCN(c1nccnc1-c1nnn[n-]1)C2 ZINC001573831088 949991335 /nfs/dbraw/zinc/99/13/35/949991335.db2.gz SNTJSKRZFNPMKU-LJQANCHMSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)(C)CC(=O)N1CC[C@@]2(C1)CCCN(c1nccnc1-c1nn[n-]n1)C2 ZINC001573831088 949991354 /nfs/dbraw/zinc/99/13/54/949991354.db2.gz SNTJSKRZFNPMKU-LJQANCHMSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2ccc(Cl)o2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575891147 949992279 /nfs/dbraw/zinc/99/22/79/949992279.db2.gz FPEYDNKNMJLJQJ-VHSXEESVSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2ccc(Cl)o2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575891147 949992296 /nfs/dbraw/zinc/99/22/96/949992296.db2.gz FPEYDNKNMJLJQJ-VHSXEESVSA-N -1 1 388.819 1.690 20 0 GDADMM CC(C)C(C)(C)C(=O)N1CC[C@@H](C)[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576181243 949992980 /nfs/dbraw/zinc/99/29/80/949992980.db2.gz SGIZOQVVNFWQHM-KGLIPLIRSA-N -1 1 386.504 1.657 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1cccnc1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574728576 949995955 /nfs/dbraw/zinc/99/59/55/949995955.db2.gz DKSDSYDWTHZNAU-VIFPVBQESA-N -1 1 392.876 1.873 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1cccnc1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574728576 949995965 /nfs/dbraw/zinc/99/59/65/949995965.db2.gz DKSDSYDWTHZNAU-VIFPVBQESA-N -1 1 392.876 1.873 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1cccc(F)c1F)Nc1nccnc1-c1nnn[n-]1 ZINC001574728740 950005025 /nfs/dbraw/zinc/00/50/25/950005025.db2.gz IUWQDKZLGPHBTD-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1cccc(F)c1F)Nc1nccnc1-c1nn[n-]n1 ZINC001574728740 950005052 /nfs/dbraw/zinc/00/50/52/950005052.db2.gz IUWQDKZLGPHBTD-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H](CC(=O)N1C[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1)C1CC1 ZINC001574490602 950005972 /nfs/dbraw/zinc/00/59/72/950005972.db2.gz WAMULXPIHYTGNZ-YUELXQCFSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H](CC(=O)N1C[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1)C1CC1 ZINC001574490602 950005995 /nfs/dbraw/zinc/00/59/95/950005995.db2.gz WAMULXPIHYTGNZ-YUELXQCFSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccoc2)[C@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001576181893 950023151 /nfs/dbraw/zinc/02/31/51/950023151.db2.gz NEKMZUPZAXOZNU-DOMZBBRYSA-N -1 1 382.428 1.993 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccoc2)[C@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001576181893 950023173 /nfs/dbraw/zinc/02/31/73/950023173.db2.gz NEKMZUPZAXOZNU-DOMZBBRYSA-N -1 1 382.428 1.993 20 0 GDADMM C[C@H](CC(=O)N[C@@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccccc1 ZINC001574491213 950027000 /nfs/dbraw/zinc/02/70/00/950027000.db2.gz BCUQYRXGGVTSOU-VLIAUNLRSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H](CC(=O)N[C@@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccccc1 ZINC001574491213 950027021 /nfs/dbraw/zinc/02/70/21/950027021.db2.gz BCUQYRXGGVTSOU-VLIAUNLRSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccccc1 ZINC001574491216 950027846 /nfs/dbraw/zinc/02/78/46/950027846.db2.gz BEFUEILJMAUQAE-HIFRSBDPSA-N -1 1 378.440 1.545 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccccc1 ZINC001574491216 950027868 /nfs/dbraw/zinc/02/78/68/950027868.db2.gz BEFUEILJMAUQAE-HIFRSBDPSA-N -1 1 378.440 1.545 20 0 GDADMM C[C@H](CC(=O)N[C@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001574491244 950028392 /nfs/dbraw/zinc/02/83/92/950028392.db2.gz BNTIVVRKPFYKOZ-YMTOWFKASA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](CC(=O)N[C@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001574491244 950028413 /nfs/dbraw/zinc/02/84/13/950028413.db2.gz BNTIVVRKPFYKOZ-YMTOWFKASA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H](C)Cc1ccccc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574731437 950046088 /nfs/dbraw/zinc/04/60/88/950046088.db2.gz DQUFAUBTIRBFIM-KBPBESRZSA-N -1 1 380.456 1.794 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H](C)Cc1ccccc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574731437 950046109 /nfs/dbraw/zinc/04/61/09/950046109.db2.gz DQUFAUBTIRBFIM-KBPBESRZSA-N -1 1 380.456 1.794 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2)C1CC1 ZINC001574491836 950051790 /nfs/dbraw/zinc/05/17/90/950051790.db2.gz GSCJNZAFHISDDB-IUODEOHRSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2)C1CC1 ZINC001574491836 950051812 /nfs/dbraw/zinc/05/18/12/950051812.db2.gz GSCJNZAFHISDDB-IUODEOHRSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2)C1CC1 ZINC001574491939 950053730 /nfs/dbraw/zinc/05/37/30/950053730.db2.gz HDUAHAGJGGMCCV-TZMCWYRMSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2)C1CC1 ZINC001574491939 950053752 /nfs/dbraw/zinc/05/37/52/950053752.db2.gz HDUAHAGJGGMCCV-TZMCWYRMSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H]1CCN(C(=O)Cc2ccccc2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576183299 950080051 /nfs/dbraw/zinc/08/00/51/950080051.db2.gz PCNRETRGRVZQNG-ZBFHGGJFSA-N -1 1 392.467 1.796 20 0 GDADMM C[C@@H]1CCN(C(=O)Cc2ccccc2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576183299 950080067 /nfs/dbraw/zinc/08/00/67/950080067.db2.gz PCNRETRGRVZQNG-ZBFHGGJFSA-N -1 1 392.467 1.796 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2cccc(F)c2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575892739 950081833 /nfs/dbraw/zinc/08/18/33/950081833.db2.gz YXKCFWSBBPSLOJ-SMDDNHRTSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2cccc(F)c2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575892739 950081849 /nfs/dbraw/zinc/08/18/49/950081849.db2.gz YXKCFWSBBPSLOJ-SMDDNHRTSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001574492643 950099090 /nfs/dbraw/zinc/09/90/90/950099090.db2.gz NYSVIURVWBDKRJ-UONOGXRCSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001574492643 950099110 /nfs/dbraw/zinc/09/91/10/950099110.db2.gz NYSVIURVWBDKRJ-UONOGXRCSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H]1CCN(C(=O)CCC(F)F)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576183850 950106180 /nfs/dbraw/zinc/10/61/80/950106180.db2.gz ROUNLNJHHJINDP-MNOVXSKESA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H]1CCN(C(=O)CCC(F)F)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576183850 950106192 /nfs/dbraw/zinc/10/61/92/950106192.db2.gz ROUNLNJHHJINDP-MNOVXSKESA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574733573 950119219 /nfs/dbraw/zinc/11/92/19/950119219.db2.gz DMIHKJBETUKRBW-VHDGCEQUSA-N -1 1 378.440 1.719 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574733573 950119229 /nfs/dbraw/zinc/11/92/29/950119229.db2.gz DMIHKJBETUKRBW-VHDGCEQUSA-N -1 1 378.440 1.719 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1)C(F)(F)F ZINC001574493377 950126758 /nfs/dbraw/zinc/12/67/58/950126758.db2.gz GBXPKRHHKTWWOC-WPRPVWTQSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1)C(F)(F)F ZINC001574493377 950126769 /nfs/dbraw/zinc/12/67/69/950126769.db2.gz GBXPKRHHKTWWOC-WPRPVWTQSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cccn2C)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576184747 950142698 /nfs/dbraw/zinc/14/26/98/950142698.db2.gz XLKNLYFMFPKCTG-GXTWGEPZSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cccn2C)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576184747 950142702 /nfs/dbraw/zinc/14/27/02/950142702.db2.gz XLKNLYFMFPKCTG-GXTWGEPZSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@H]1CCN(C(=O)C2(CF)CCC2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576184920 950144803 /nfs/dbraw/zinc/14/48/03/950144803.db2.gz YENIRUQUPCPNBR-QWHCGFSZSA-N -1 1 388.451 1.115 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(CF)CCC2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576184919 950145566 /nfs/dbraw/zinc/14/55/66/950145566.db2.gz YENIRUQUPCPNBR-OLZOCXBDSA-N -1 1 388.451 1.115 20 0 GDADMM C[C@@H]1CCN(C(=O)Cc2ccc[nH]2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576184909 950147654 /nfs/dbraw/zinc/14/76/54/950147654.db2.gz YBDRQZQDGUAWCT-CHWSQXEVSA-N -1 1 381.444 1.124 20 0 GDADMM C[C@@H]1CCN(C(=O)Cc2ccc[nH]2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576184909 950147671 /nfs/dbraw/zinc/14/76/71/950147671.db2.gz YBDRQZQDGUAWCT-CHWSQXEVSA-N -1 1 381.444 1.124 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001574494163 950149074 /nfs/dbraw/zinc/14/90/74/950149074.db2.gz XOUUDEVOWAGHSW-KBPBESRZSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574494163 950149089 /nfs/dbraw/zinc/14/90/89/950149089.db2.gz XOUUDEVOWAGHSW-KBPBESRZSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccco2)[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576185115 950154317 /nfs/dbraw/zinc/15/43/17/950154317.db2.gz ZGPUMAMPUKMNRS-STQMWFEESA-N -1 1 382.428 1.415 20 0 GDADMM C[C@H]1CCN(C(=O)C2(C3CC3)CC2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576185094 950155307 /nfs/dbraw/zinc/15/53/07/950155307.db2.gz ZMGIVVKLEFXIRS-QWHCGFSZSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@H]1CCN(C(=O)C2(C3CC3)CC2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576185094 950155325 /nfs/dbraw/zinc/15/53/25/950155325.db2.gz ZMGIVVKLEFXIRS-QWHCGFSZSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@H]1CCN(C(=O)C2(C3CC3)CC2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576185095 950155829 /nfs/dbraw/zinc/15/58/29/950155829.db2.gz ZMGIVVKLEFXIRS-STQMWFEESA-N -1 1 382.472 1.743 20 0 GDADMM C[C@H]1CCN(C(=O)C2(C3CC3)CC2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576185095 950155846 /nfs/dbraw/zinc/15/58/46/950155846.db2.gz ZMGIVVKLEFXIRS-STQMWFEESA-N -1 1 382.472 1.743 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2)C1CC1 ZINC001574494177 950157669 /nfs/dbraw/zinc/15/76/69/950157669.db2.gz XTCQXZRBKOADKH-DOMZBBRYSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2)C1CC1 ZINC001574494177 950157685 /nfs/dbraw/zinc/15/76/85/950157685.db2.gz XTCQXZRBKOADKH-DOMZBBRYSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccsc2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576190529 950163306 /nfs/dbraw/zinc/16/33/06/950163306.db2.gz AIUPMHQLANMWRE-AAEUAGOBSA-N -1 1 384.469 1.929 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccsc2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576190529 950163317 /nfs/dbraw/zinc/16/33/17/950163317.db2.gz AIUPMHQLANMWRE-AAEUAGOBSA-N -1 1 384.469 1.929 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccccn2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576190963 950178483 /nfs/dbraw/zinc/17/84/83/950178483.db2.gz FBQBJLUOPKVNDH-CHWSQXEVSA-N -1 1 379.428 1.262 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccccn2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576190963 950178502 /nfs/dbraw/zinc/17/85/02/950178502.db2.gz FBQBJLUOPKVNDH-CHWSQXEVSA-N -1 1 379.428 1.262 20 0 GDADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H]1Cc2ccccc21 ZINC001574154764 950180394 /nfs/dbraw/zinc/18/03/94/950180394.db2.gz HDZIZZDOUQCPEI-ZBFHGGJFSA-N -1 1 392.467 1.361 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2sccc2F)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575900670 950201521 /nfs/dbraw/zinc/20/15/21/950201521.db2.gz HDXYMIWNPIQKDX-GXSJLCMTSA-N -1 1 388.432 1.645 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2sccc2F)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575900670 950201539 /nfs/dbraw/zinc/20/15/39/950201539.db2.gz HDXYMIWNPIQKDX-GXSJLCMTSA-N -1 1 388.432 1.645 20 0 GDADMM C[C@H](CC(=O)NC[C@H](CO)Nc1cnc(-c2nnn[n-]2)cn1)C1CCCCC1 ZINC001574496095 950210043 /nfs/dbraw/zinc/21/00/43/950210043.db2.gz VMLYASMKWJIYCQ-TZMCWYRMSA-N -1 1 388.476 1.152 20 0 GDADMM C[C@H](CC(=O)NC[C@H](CO)Nc1cnc(-c2nn[n-]n2)cn1)C1CCCCC1 ZINC001574496095 950210061 /nfs/dbraw/zinc/21/00/61/950210061.db2.gz VMLYASMKWJIYCQ-TZMCWYRMSA-N -1 1 388.476 1.152 20 0 GDADMM C[C@H](CC(=O)NC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1)n1cccc1 ZINC001574496511 950218783 /nfs/dbraw/zinc/21/87/83/950218783.db2.gz XDIGGZJDLFYTFH-OCCSQVGLSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](CC(=O)NC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1)n1cccc1 ZINC001574496511 950218801 /nfs/dbraw/zinc/21/88/01/950218801.db2.gz XDIGGZJDLFYTFH-OCCSQVGLSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)CC1(C)C)C1CC1 ZINC001574497032 950223224 /nfs/dbraw/zinc/22/32/24/950223224.db2.gz YIVSLIRZSVBQSC-GXTWGEPZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)CC1(C)C)C1CC1 ZINC001574497032 950223247 /nfs/dbraw/zinc/22/32/47/950223247.db2.gz YIVSLIRZSVBQSC-GXTWGEPZSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)Cc1ccsc1 ZINC001574156083 950224599 /nfs/dbraw/zinc/22/45/99/950224599.db2.gz WFXBPMYZEHFENH-ZDUSSCGKSA-N -1 1 386.485 1.904 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)Cc1ccsc1 ZINC001574156083 950224615 /nfs/dbraw/zinc/22/46/15/950224615.db2.gz WFXBPMYZEHFENH-ZDUSSCGKSA-N -1 1 386.485 1.904 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1)n1cccc1 ZINC001574497074 950226877 /nfs/dbraw/zinc/22/68/77/950226877.db2.gz YTFVXUNHPYHQQX-GXTWGEPZSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1)n1cccc1 ZINC001574497074 950226895 /nfs/dbraw/zinc/22/68/95/950226895.db2.gz YTFVXUNHPYHQQX-GXTWGEPZSA-N -1 1 381.444 1.416 20 0 GDADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)n1cccc1 ZINC001574156208 950231236 /nfs/dbraw/zinc/23/12/36/950231236.db2.gz YXTKWTDDYYGWPV-UONOGXRCSA-N -1 1 383.460 1.084 20 0 GDADMM C[C@@H](CN(C)C(=O)c1c(F)cc(F)cc1F)Nc1nccnc1-c1nnn[n-]1 ZINC001574741094 950232777 /nfs/dbraw/zinc/23/27/77/950232777.db2.gz GOJFCYMZERLICV-QMMMGPOBSA-N -1 1 392.345 1.647 20 0 GDADMM C[C@@H](CN(C)C(=O)c1c(F)cc(F)cc1F)Nc1nccnc1-c1nn[n-]n1 ZINC001574741094 950232794 /nfs/dbraw/zinc/23/27/94/950232794.db2.gz GOJFCYMZERLICV-QMMMGPOBSA-N -1 1 392.345 1.647 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C1(F)CCOCC1 ZINC001574157435 950237489 /nfs/dbraw/zinc/23/74/89/950237489.db2.gz BGJMMZGDMIAFJC-LBPRGKRZSA-N -1 1 392.439 1.118 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C1(F)CCOCC1 ZINC001574157435 950237503 /nfs/dbraw/zinc/23/75/03/950237503.db2.gz BGJMMZGDMIAFJC-LBPRGKRZSA-N -1 1 392.439 1.118 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccn(C)c2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576192281 950238230 /nfs/dbraw/zinc/23/82/30/950238230.db2.gz LRTHRXIRYNRRSL-JSGCOSHPSA-N -1 1 381.444 1.206 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccn(C)c2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576192281 950238249 /nfs/dbraw/zinc/23/82/49/950238249.db2.gz LRTHRXIRYNRRSL-JSGCOSHPSA-N -1 1 381.444 1.206 20 0 GDADMM C[C@H](CN(C)C(=O)c1c[nH]nc1C(C)(C)C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574741378 950238281 /nfs/dbraw/zinc/23/82/81/950238281.db2.gz AOKVVQRPESQJPL-SNVBAGLBSA-N -1 1 384.448 1.250 20 0 GDADMM C[C@H](CN(C)C(=O)c1c[nH]nc1C(C)(C)C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574741378 950238299 /nfs/dbraw/zinc/23/82/99/950238299.db2.gz AOKVVQRPESQJPL-SNVBAGLBSA-N -1 1 384.448 1.250 20 0 GDADMM CC1(C(=O)NC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CCCCCC1 ZINC001575588198 950247860 /nfs/dbraw/zinc/24/78/60/950247860.db2.gz QDXANEVURSJGCR-AWEZNQCLSA-N -1 1 384.488 1.960 20 0 GDADMM CC1(C(=O)NC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CCCCCC1 ZINC001575588198 950247873 /nfs/dbraw/zinc/24/78/73/950247873.db2.gz QDXANEVURSJGCR-AWEZNQCLSA-N -1 1 384.488 1.960 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CCC(F)(F)F ZINC001574157811 950254561 /nfs/dbraw/zinc/25/45/61/950254561.db2.gz JDOVZNCPDYQZIP-JTQLQIEISA-N -1 1 386.382 1.942 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CCC(F)(F)F ZINC001574157811 950254583 /nfs/dbraw/zinc/25/45/83/950254583.db2.gz JDOVZNCPDYQZIP-JTQLQIEISA-N -1 1 386.382 1.942 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C1(F)CCCC1 ZINC001574157886 950259705 /nfs/dbraw/zinc/25/97/05/950259705.db2.gz KRAKAJNQDJKRNA-LBPRGKRZSA-N -1 1 376.440 1.882 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C1(F)CCCC1 ZINC001574157886 950259718 /nfs/dbraw/zinc/25/97/18/950259718.db2.gz KRAKAJNQDJKRNA-LBPRGKRZSA-N -1 1 376.440 1.882 20 0 GDADMM CC1(C(=O)NC[C@@H]2CCCN2c2nccnc2-c2nnn[n-]2)CC(F)(F)C1 ZINC001575589985 950270860 /nfs/dbraw/zinc/27/08/60/950270860.db2.gz ZVUPHRXWPMXMHH-JTQLQIEISA-N -1 1 378.387 1.177 20 0 GDADMM CC1(C(=O)NC[C@@H]2CCCN2c2nccnc2-c2nn[n-]n2)CC(F)(F)C1 ZINC001575589985 950270878 /nfs/dbraw/zinc/27/08/78/950270878.db2.gz ZVUPHRXWPMXMHH-JTQLQIEISA-N -1 1 378.387 1.177 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C1C=CC=CC=C1 ZINC001574158787 950285694 /nfs/dbraw/zinc/28/56/94/950285694.db2.gz SNVZLBUEKDZJGM-OAHLLOKOSA-N -1 1 380.456 1.898 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C1C=CC=CC=C1 ZINC001574158787 950285707 /nfs/dbraw/zinc/28/57/07/950285707.db2.gz SNVZLBUEKDZJGM-OAHLLOKOSA-N -1 1 380.456 1.898 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CC1)c1ccccc1 ZINC001574499422 950299717 /nfs/dbraw/zinc/29/97/17/950299717.db2.gz UYRONIGXYUXCFB-ZDUSSCGKSA-N -1 1 378.440 1.911 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CC1)c1ccccc1 ZINC001574499422 950299736 /nfs/dbraw/zinc/29/97/36/950299736.db2.gz UYRONIGXYUXCFB-ZDUSSCGKSA-N -1 1 378.440 1.911 20 0 GDADMM C[C@]1(C(=O)NCCCNc2cncc(-c3nnn[n-]3)n2)CCc2ccccc21 ZINC001575593189 950309843 /nfs/dbraw/zinc/30/98/43/950309843.db2.gz MJCZARJIUPWNHO-IBGZPJMESA-N -1 1 378.440 1.479 20 0 GDADMM C[C@]1(C(=O)NCCCNc2cncc(-c3nn[n-]n3)n2)CCc2ccccc21 ZINC001575593189 950309864 /nfs/dbraw/zinc/30/98/64/950309864.db2.gz MJCZARJIUPWNHO-IBGZPJMESA-N -1 1 378.440 1.479 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001574159674 950310481 /nfs/dbraw/zinc/31/04/81/950310481.db2.gz XUCWUGPENHWPII-BHPKHCPMSA-N -1 1 386.460 1.167 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001574159674 950310501 /nfs/dbraw/zinc/31/05/01/950310501.db2.gz XUCWUGPENHWPII-BHPKHCPMSA-N -1 1 386.460 1.167 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[C@](C)(O)C1CC1 ZINC001574159789 950323295 /nfs/dbraw/zinc/32/32/95/950323295.db2.gz IZPSNIQCSWDVOJ-ACJLOTCBSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[C@](C)(O)C1CC1 ZINC001574159789 950323316 /nfs/dbraw/zinc/32/33/16/950323316.db2.gz IZPSNIQCSWDVOJ-ACJLOTCBSA-N -1 1 388.476 1.151 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001574501227 950323986 /nfs/dbraw/zinc/32/39/86/950323986.db2.gz BOLMQPICVUVNNX-HOCLYGCPSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001574501227 950324004 /nfs/dbraw/zinc/32/40/04/950324004.db2.gz BOLMQPICVUVNNX-HOCLYGCPSA-N -1 1 392.467 1.936 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C1CCC(O)CC1 ZINC001574160037 950326763 /nfs/dbraw/zinc/32/67/63/950326763.db2.gz KKQLDCVHWFZCLR-ROKHWSDSSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C1CCC(O)CC1 ZINC001574160037 950326784 /nfs/dbraw/zinc/32/67/84/950326784.db2.gz KKQLDCVHWFZCLR-ROKHWSDSSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)(C)NC(=O)[C@H]1CCCN1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001573854661 950340442 /nfs/dbraw/zinc/34/04/42/950340442.db2.gz AIIONRYJVKIUGZ-LLVKDONJSA-N -1 1 377.474 1.517 20 0 GDADMM CC1(C(=O)NCCN(c2cncc(-c3nnn[n-]3)n2)C2CC2)CC(F)(F)C1 ZINC001575595295 950353276 /nfs/dbraw/zinc/35/32/76/950353276.db2.gz ZAMDFIYSGLERSD-UHFFFAOYSA-N -1 1 378.387 1.177 20 0 GDADMM CC1(C(=O)NCCN(c2cncc(-c3nn[n-]n3)n2)C2CC2)CC(F)(F)C1 ZINC001575595295 950353294 /nfs/dbraw/zinc/35/32/94/950353294.db2.gz ZAMDFIYSGLERSD-UHFFFAOYSA-N -1 1 378.387 1.177 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001574502183 950363398 /nfs/dbraw/zinc/36/33/98/950363398.db2.gz KFWCGVQCOBXEPE-CHWSQXEVSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001574502183 950363422 /nfs/dbraw/zinc/36/34/22/950363422.db2.gz KFWCGVQCOBXEPE-CHWSQXEVSA-N -1 1 382.428 1.386 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCC1(F)F ZINC001574162125 950373090 /nfs/dbraw/zinc/37/30/90/950373090.db2.gz ZMLUCQNEQKATSN-GHMZBOCLSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCC1(F)F ZINC001574162125 950373105 /nfs/dbraw/zinc/37/31/05/950373105.db2.gz ZMLUCQNEQKATSN-GHMZBOCLSA-N -1 1 380.403 1.645 20 0 GDADMM CC1(C(=O)NC[C@]23CCC[C@H]2N(c2nccnc2-c2nnn[n-]2)CC3)CCC1 ZINC001575596556 950378854 /nfs/dbraw/zinc/37/88/54/950378854.db2.gz FSMUQWSSNOLHSB-BFUOFWGJSA-N -1 1 382.472 1.712 20 0 GDADMM CC1(C(=O)NC[C@]23CCC[C@H]2N(c2nccnc2-c2nn[n-]n2)CC3)CCC1 ZINC001575596556 950378878 /nfs/dbraw/zinc/37/88/78/950378878.db2.gz FSMUQWSSNOLHSB-BFUOFWGJSA-N -1 1 382.472 1.712 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@]1(C)CCCOC1 ZINC001574162658 950393670 /nfs/dbraw/zinc/39/36/70/950393670.db2.gz GONGKLATVJRWBE-SCLBCKFNSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@]1(C)CCCOC1 ZINC001574162658 950393689 /nfs/dbraw/zinc/39/36/89/950393689.db2.gz GONGKLATVJRWBE-SCLBCKFNSA-N -1 1 388.476 1.416 20 0 GDADMM CC1(C(=O)NCC=CCNc2cnc(-c3nnn[n-]3)cn2)CCC(F)(F)CC1 ZINC001575597236 950402473 /nfs/dbraw/zinc/40/24/73/950402473.db2.gz ZPRYAJTVXVPXDQ-IHWYPQMZSA-N -1 1 392.414 1.957 20 0 GDADMM CC1(C(=O)NCC=CCNc2cnc(-c3nn[n-]n3)cn2)CCC(F)(F)CC1 ZINC001575597236 950402486 /nfs/dbraw/zinc/40/24/86/950402486.db2.gz ZPRYAJTVXVPXDQ-IHWYPQMZSA-N -1 1 392.414 1.957 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C(C)(C)C(F)F ZINC001574162947 950412366 /nfs/dbraw/zinc/41/23/66/950412366.db2.gz NVECEANPGPMWKN-SNVBAGLBSA-N -1 1 382.419 1.891 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C(C)(C)C(F)F ZINC001574162947 950412375 /nfs/dbraw/zinc/41/23/75/950412375.db2.gz NVECEANPGPMWKN-SNVBAGLBSA-N -1 1 382.419 1.891 20 0 GDADMM C[C@H](CC(=O)NCCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C1CC1 ZINC001574503467 950414520 /nfs/dbraw/zinc/41/45/20/950414520.db2.gz WYJUVAVNBCHVMQ-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](CC(=O)NCCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001574503467 950414533 /nfs/dbraw/zinc/41/45/33/950414533.db2.gz WYJUVAVNBCHVMQ-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C(=O)NCc2ccc(CNc3ccnc(-c4nn[n-]n4)n3)cc2)CCC1 ZINC001575598987 950423183 /nfs/dbraw/zinc/42/31/83/950423183.db2.gz AFUSYFOYIGKKGA-UHFFFAOYSA-N -1 1 378.440 1.497 20 0 GDADMM CC(C)(C)OC(=O)NCC[C@@H](NC(=O)c1coc(-c2nnn[n-]2)c1)C(F)F ZINC001573860645 950427547 /nfs/dbraw/zinc/42/75/47/950427547.db2.gz KORDPHPAFBOCAQ-SECBINFHSA-N -1 1 386.359 1.738 20 0 GDADMM CC(C)(C)OC(=O)NCC[C@@H](NC(=O)c1coc(-c2nn[n-]n2)c1)C(F)F ZINC001573860645 950427559 /nfs/dbraw/zinc/42/75/59/950427559.db2.gz KORDPHPAFBOCAQ-SECBINFHSA-N -1 1 386.359 1.738 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H](C)c1ccco1 ZINC001574163764 950431456 /nfs/dbraw/zinc/43/14/56/950431456.db2.gz XQVQNFWAIGSSFU-STQMWFEESA-N -1 1 384.444 1.996 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H](C)c1ccco1 ZINC001574163764 950431484 /nfs/dbraw/zinc/43/14/84/950431484.db2.gz XQVQNFWAIGSSFU-STQMWFEESA-N -1 1 384.444 1.996 20 0 GDADMM CC(C)(C)OC(=O)NCc1nc(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)cs1 ZINC001573860959 950433284 /nfs/dbraw/zinc/43/32/84/950433284.db2.gz NSWJCXBKPZKAKT-UHFFFAOYSA-N -1 1 391.417 1.323 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)[C@@H]1CCCO1 ZINC001574506470 950437564 /nfs/dbraw/zinc/43/75/64/950437564.db2.gz DXBKVYPIICIRKV-XPCVCDNBSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)[C@@H]1CCCO1 ZINC001574506470 950437577 /nfs/dbraw/zinc/43/75/77/950437577.db2.gz DXBKVYPIICIRKV-XPCVCDNBSA-N -1 1 386.460 1.169 20 0 GDADMM CC(C)CC1(C(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CCCC1 ZINC001574166093 950459769 /nfs/dbraw/zinc/45/97/69/950459769.db2.gz LLLGDMLWWVOGAT-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CC1(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CCCC1 ZINC001574166093 950459786 /nfs/dbraw/zinc/45/97/86/950459786.db2.gz LLLGDMLWWVOGAT-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc(Cl)cs1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574751636 950461056 /nfs/dbraw/zinc/46/10/56/950461056.db2.gz PLZYKHVZBSRFBN-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc(Cl)cs1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574751636 950461062 /nfs/dbraw/zinc/46/10/62/950461062.db2.gz PLZYKHVZBSRFBN-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CC(=O)NCCN(C)c1nccnc1-c1nnn[n-]1)c1ccccc1F ZINC001574507758 950465224 /nfs/dbraw/zinc/46/52/24/950465224.db2.gz IGBRZIWZPCGZGF-LBPRGKRZSA-N -1 1 384.419 1.542 20 0 GDADMM C[C@@H](CC(=O)NCCN(C)c1nccnc1-c1nn[n-]n1)c1ccccc1F ZINC001574507758 950465235 /nfs/dbraw/zinc/46/52/35/950465235.db2.gz IGBRZIWZPCGZGF-LBPRGKRZSA-N -1 1 384.419 1.542 20 0 GDADMM C[C@@H](CCNC(=O)C[C@H](C)c1ccncc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574509322 950510244 /nfs/dbraw/zinc/51/02/44/950510244.db2.gz QPZFDYOCIGMTSB-STQMWFEESA-N -1 1 381.444 1.552 20 0 GDADMM C[C@@H](CCNC(=O)C[C@H](C)c1ccncc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574509322 950510259 /nfs/dbraw/zinc/51/02/59/950510259.db2.gz QPZFDYOCIGMTSB-STQMWFEESA-N -1 1 381.444 1.552 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001574509565 950518054 /nfs/dbraw/zinc/51/80/54/950518054.db2.gz XHZYOWOLOCXDPE-MCIONIFRSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001574509565 950518071 /nfs/dbraw/zinc/51/80/71/950518071.db2.gz XHZYOWOLOCXDPE-MCIONIFRSA-N -1 1 381.444 1.416 20 0 GDADMM CC(C)(C)OCC(=O)N1CCC[C@@H]2[C@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001573866946 950518512 /nfs/dbraw/zinc/51/85/12/950518512.db2.gz OEPDQXABWCWNDN-ZIAGYGMSSA-N -1 1 386.460 1.042 20 0 GDADMM CC(C)(C)OCC(=O)N1CCC[C@@H]2[C@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001573866946 950518528 /nfs/dbraw/zinc/51/85/28/950518528.db2.gz OEPDQXABWCWNDN-ZIAGYGMSSA-N -1 1 386.460 1.042 20 0 GDADMM C[C@H](CC(=O)NCC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C)C1CC1 ZINC001574509731 950524831 /nfs/dbraw/zinc/52/48/31/950524831.db2.gz WLJLDERGODMDOB-UMVBOHGHSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@H](CC(=O)NCC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C)C1CC1 ZINC001574509731 950524845 /nfs/dbraw/zinc/52/48/45/950524845.db2.gz WLJLDERGODMDOB-UMVBOHGHSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C)c1ccco1 ZINC001574509782 950528558 /nfs/dbraw/zinc/52/85/58/950528558.db2.gz XXFMWIZGUABOQI-MGPQQGTHSA-N -1 1 396.455 1.632 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C)c1ccco1 ZINC001574509782 950528569 /nfs/dbraw/zinc/52/85/69/950528569.db2.gz XXFMWIZGUABOQI-MGPQQGTHSA-N -1 1 396.455 1.632 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc(C2CC2)cc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574753753 950542369 /nfs/dbraw/zinc/54/23/69/950542369.db2.gz RIAQHOVMCMTBLI-GFCCVEGCSA-N -1 1 378.440 1.529 20 0 GDADMM CC(C)(C)OCC(=O)NC1(CNc2ccc(-c3nnn[n-]3)nn2)CCCCC1 ZINC001573868919 950550550 /nfs/dbraw/zinc/55/05/50/950550550.db2.gz IIYDERCDZNFCQU-UHFFFAOYSA-N -1 1 388.476 1.703 20 0 GDADMM CC(C)(C)OCC(=O)NC1(CNc2ccc(-c3nn[n-]n3)nn2)CCCCC1 ZINC001573868919 950550560 /nfs/dbraw/zinc/55/05/60/950550560.db2.gz IIYDERCDZNFCQU-UHFFFAOYSA-N -1 1 388.476 1.703 20 0 GDADMM C[C@H](CC(=O)N[C@H](C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C1CC1 ZINC001574511363 950554747 /nfs/dbraw/zinc/55/47/47/950554747.db2.gz IVXGJXXOQFFLCD-CHWSQXEVSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](CC(=O)N[C@H](C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C1CC1 ZINC001574511363 950554761 /nfs/dbraw/zinc/55/47/61/950554761.db2.gz IVXGJXXOQFFLCD-CHWSQXEVSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc2c(c1)CCO2)Nc1nccnc1-c1nnn[n-]1 ZINC001574754185 950564823 /nfs/dbraw/zinc/56/48/23/950564823.db2.gz ZNXPEEJMTXLDNS-NSHDSACASA-N -1 1 380.412 1.164 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc2c(c1)CCO2)Nc1nccnc1-c1nn[n-]n1 ZINC001574754185 950564847 /nfs/dbraw/zinc/56/48/47/950564847.db2.gz ZNXPEEJMTXLDNS-NSHDSACASA-N -1 1 380.412 1.164 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@H]1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573869588 950570020 /nfs/dbraw/zinc/57/00/20/950570020.db2.gz QXUULIMKKSCGHV-QWHCGFSZSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@H]1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573869588 950570039 /nfs/dbraw/zinc/57/00/39/950570039.db2.gz QXUULIMKKSCGHV-QWHCGFSZSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)OCC(=O)NC[C@H]1CCCCCN1c1nccnc1-c1nnn[n-]1 ZINC001573869765 950574423 /nfs/dbraw/zinc/57/44/23/950574423.db2.gz CFJIQEAPEVMQAA-CYBMUJFWSA-N -1 1 388.476 1.337 20 0 GDADMM CC(C)(C)OCC(=O)NC[C@H]1CCCCCN1c1nccnc1-c1nn[n-]n1 ZINC001573869765 950574433 /nfs/dbraw/zinc/57/44/33/950574433.db2.gz CFJIQEAPEVMQAA-CYBMUJFWSA-N -1 1 388.476 1.337 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)NC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575615888 950579389 /nfs/dbraw/zinc/57/93/89/950579389.db2.gz JUXLZNWSMHDQBT-GFCCVEGCSA-N -1 1 384.488 1.672 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)NC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575615888 950579403 /nfs/dbraw/zinc/57/94/03/950579403.db2.gz JUXLZNWSMHDQBT-GFCCVEGCSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)C1CCC(F)(F)CC1 ZINC001575918161 950588035 /nfs/dbraw/zinc/58/80/35/950588035.db2.gz AUHXRPVEKIMXIV-CMPLNLGQSA-N -1 1 392.414 1.305 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C12CCC2 ZINC001573870286 950591862 /nfs/dbraw/zinc/59/18/62/950591862.db2.gz UROLZCDKBWMRLA-OLZOCXBDSA-N -1 1 386.460 1.311 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C12CCC2 ZINC001573870286 950591870 /nfs/dbraw/zinc/59/18/70/950591870.db2.gz UROLZCDKBWMRLA-OLZOCXBDSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H](CNC(=O)c1cc2c(s1)CCC2)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575000444 950605036 /nfs/dbraw/zinc/60/50/36/950605036.db2.gz DNYBYEMIZTVRCA-JTQLQIEISA-N -1 1 384.469 1.462 20 0 GDADMM C[C@@H](CNC(=O)c1cc2c(s1)CCC2)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575000444 950605054 /nfs/dbraw/zinc/60/50/54/950605054.db2.gz DNYBYEMIZTVRCA-JTQLQIEISA-N -1 1 384.469 1.462 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C)C(F)(F)F ZINC001574513501 950610221 /nfs/dbraw/zinc/61/02/21/950610221.db2.gz RHCMRYBRSZULRX-BBBLOLIVSA-N -1 1 384.366 1.329 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C)C(F)(F)F ZINC001574513501 950610230 /nfs/dbraw/zinc/61/02/30/950610230.db2.gz RHCMRYBRSZULRX-BBBLOLIVSA-N -1 1 384.366 1.329 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1)[C@H]1CCCO1 ZINC001574515266 950626936 /nfs/dbraw/zinc/62/69/36/950626936.db2.gz CGDRDTLEDTTXKV-AAVRWANBSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1)[C@H]1CCCO1 ZINC001574515266 950626955 /nfs/dbraw/zinc/62/69/55/950626955.db2.gz CGDRDTLEDTTXKV-AAVRWANBSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001574515695 950633295 /nfs/dbraw/zinc/63/32/95/950633295.db2.gz DUTSEQAYBAKJKL-AVGNSLFASA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001574515695 950633310 /nfs/dbraw/zinc/63/33/10/950633310.db2.gz DUTSEQAYBAKJKL-AVGNSLFASA-N -1 1 382.428 1.750 20 0 GDADMM CC1(C)[C@H](NC(=O)CC2CC2)[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)[C@@H]21 ZINC001575622268 950635047 /nfs/dbraw/zinc/63/50/47/950635047.db2.gz AOMJLCFOAMHZDU-VUCTXSBTSA-N -1 1 382.472 1.566 20 0 GDADMM CC1(C)[C@H](NC(=O)CC2CC2)[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)[C@@H]21 ZINC001575622268 950635058 /nfs/dbraw/zinc/63/50/58/950635058.db2.gz AOMJLCFOAMHZDU-VUCTXSBTSA-N -1 1 382.472 1.566 20 0 GDADMM CC1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC001576213599 950636205 /nfs/dbraw/zinc/63/62/05/950636205.db2.gz DHDBHFXALDANFN-CYBMUJFWSA-N -1 1 384.444 1.840 20 0 GDADMM CC1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC001576213599 950636215 /nfs/dbraw/zinc/63/62/15/950636215.db2.gz DHDBHFXALDANFN-CYBMUJFWSA-N -1 1 384.444 1.840 20 0 GDADMM C[C@H](CN(C)C(=O)c1cccn1C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574759953 950650305 /nfs/dbraw/zinc/65/03/05/950650305.db2.gz QPJNHBNRMZDECA-MRVPVSSYSA-N -1 1 380.865 1.888 20 0 GDADMM C[C@H](CN(C)C(=O)c1cccn1C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574759953 950650309 /nfs/dbraw/zinc/65/03/09/950650309.db2.gz QPJNHBNRMZDECA-MRVPVSSYSA-N -1 1 380.865 1.888 20 0 GDADMM CC1(C)CC(C(=O)N2C[C@H]3CCN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]3C2)C1 ZINC001575623575 950652815 /nfs/dbraw/zinc/65/28/15/950652815.db2.gz CYUBDVPADRMTJA-OCCSQVGLSA-N -1 1 382.472 1.378 20 0 GDADMM CC1(C)CC(C(=O)N2C[C@H]3CCN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]3C2)C1 ZINC001575623575 950652829 /nfs/dbraw/zinc/65/28/29/950652829.db2.gz CYUBDVPADRMTJA-OCCSQVGLSA-N -1 1 382.472 1.378 20 0 GDADMM CCN1CCN(c2ccc(CNC(=O)C3(CC(=O)[O-])CCOCC3)cn2)CC1 ZINC001589744654 950662871 /nfs/dbraw/zinc/66/28/71/950662871.db2.gz ZCJCOQABWAQOEK-UHFFFAOYSA-N -1 1 390.484 1.111 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)cs1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575002506 950664341 /nfs/dbraw/zinc/66/43/41/950664341.db2.gz UOOOCZMRBJLHHH-MRVPVSSYSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)cs1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575002506 950664347 /nfs/dbraw/zinc/66/43/47/950664347.db2.gz UOOOCZMRBJLHHH-MRVPVSSYSA-N -1 1 378.849 1.850 20 0 GDADMM CC1(C)CC(C(=O)N2CC[C@]3(CCN(c4ccnc(-c5nn[n-]n5)n4)C3)C2)C1 ZINC001575624645 950671237 /nfs/dbraw/zinc/67/12/37/950671237.db2.gz LRCNCKUNJXPPIZ-IBGZPJMESA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccncc1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574760755 950680080 /nfs/dbraw/zinc/68/00/80/950680080.db2.gz ZJRDGOIKLRRFLQ-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccncc1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574760755 950680093 /nfs/dbraw/zinc/68/00/93/950680093.db2.gz ZJRDGOIKLRRFLQ-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM CC1(C)CC(C(=O)N2C[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@@]3(C)C2)C1 ZINC001575625164 950682193 /nfs/dbraw/zinc/68/21/93/950682193.db2.gz QGGBDGDTGTUHQR-YJYMSZOUSA-N -1 1 382.472 1.378 20 0 GDADMM CC1(C)CC(C(=O)N2C[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@@]3(C)C2)C1 ZINC001575625164 950682203 /nfs/dbraw/zinc/68/22/03/950682203.db2.gz QGGBDGDTGTUHQR-YJYMSZOUSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)[C@H]1CCCO1 ZINC001574519418 950682650 /nfs/dbraw/zinc/68/26/50/950682650.db2.gz VCGFVGLNHRXNGX-RGCMKSIDSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)[C@H]1CCCO1 ZINC001574519418 950682658 /nfs/dbraw/zinc/68/26/58/950682658.db2.gz VCGFVGLNHRXNGX-RGCMKSIDSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccccc1 ZINC001574519644 950689339 /nfs/dbraw/zinc/68/93/39/950689339.db2.gz XIKKZDOUANBOLJ-AEGPPILISA-N -1 1 378.440 1.910 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccccc1 ZINC001574519644 950689360 /nfs/dbraw/zinc/68/93/60/950689360.db2.gz XIKKZDOUANBOLJ-AEGPPILISA-N -1 1 378.440 1.910 20 0 GDADMM CC1(C)CC(C(=O)N2CCC[C@H]3[C@@H]2CCN3c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575625627 950692208 /nfs/dbraw/zinc/69/22/08/950692208.db2.gz VLROYCNBHUPGTJ-GJZGRUSLSA-N -1 1 382.472 1.663 20 0 GDADMM CC1(C)CC(C(=O)N2CCC[C@H]3[C@@H]2CCN3c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575625627 950692218 /nfs/dbraw/zinc/69/22/18/950692218.db2.gz VLROYCNBHUPGTJ-GJZGRUSLSA-N -1 1 382.472 1.663 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573877473 950692254 /nfs/dbraw/zinc/69/22/54/950692254.db2.gz BQDVLBCCGVQWGO-BFHYXJOUSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)c1ccccc1 ZINC001574519688 950692883 /nfs/dbraw/zinc/69/28/83/950692883.db2.gz XNXUJUYGKHRQIQ-IBWPGLOJSA-N -1 1 390.451 1.401 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)c1ccccc1 ZINC001574519688 950692901 /nfs/dbraw/zinc/69/29/01/950692901.db2.gz XNXUJUYGKHRQIQ-IBWPGLOJSA-N -1 1 390.451 1.401 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)c1ccccc1 ZINC001574519763 950693595 /nfs/dbraw/zinc/69/35/95/950693595.db2.gz YNMXWBUBRHKOQA-CTNYNGJSSA-N -1 1 390.451 1.401 20 0 GDADMM CC1(C)C2CCC1(C(=O)N[C@@H]1CCN(c3cncc(-c4nnn[n-]4)n3)C1)CC2 ZINC001575625934 950702207 /nfs/dbraw/zinc/70/22/07/950702207.db2.gz VJLLQPSFYRLWFK-FWHMADFJSA-N -1 1 382.472 1.568 20 0 GDADMM CC1(C)C2CCC1(C(=O)N[C@@H]1CCN(c3cncc(-c4nn[n-]n4)n3)C1)CC2 ZINC001575625934 950702226 /nfs/dbraw/zinc/70/22/26/950702226.db2.gz VJLLQPSFYRLWFK-FWHMADFJSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](CN(C)C(=O)c1cn(C)cn1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574762650 950710400 /nfs/dbraw/zinc/71/04/00/950710400.db2.gz ZYTFELYXNLJZFX-SSDOTTSWSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@H](CN(C)C(=O)c1cn(C)cn1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574762650 950710428 /nfs/dbraw/zinc/71/04/28/950710428.db2.gz ZYTFELYXNLJZFX-SSDOTTSWSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(-c2ccccc2)o1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575006967 950728290 /nfs/dbraw/zinc/72/82/90/950728290.db2.gz ZFRNEJLVRMYACE-LBPRGKRZSA-N -1 1 390.407 1.569 20 0 GDADMM CC1(C)CC(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(c2ccc(-c4nnn[n-]4)nn2)C3)C1 ZINC001575629102 950733039 /nfs/dbraw/zinc/73/30/39/950733039.db2.gz LIYNBUAIHFLVHM-YUTCNCBUSA-N -1 1 382.472 1.566 20 0 GDADMM CC1(C)CC(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(c2ccc(-c4nn[n-]n4)nn2)C3)C1 ZINC001575629102 950733047 /nfs/dbraw/zinc/73/30/47/950733047.db2.gz LIYNBUAIHFLVHM-YUTCNCBUSA-N -1 1 382.472 1.566 20 0 GDADMM CC(C)(C)c1cc(C(=O)NCC2(Nc3nccnc3-c3nnn[n-]3)CC2)no1 ZINC001573879965 950738204 /nfs/dbraw/zinc/73/82/04/950738204.db2.gz QRIWWTQANGFQTP-UHFFFAOYSA-N -1 1 383.416 1.317 20 0 GDADMM CC(C)(C)c1cc(C(=O)NCC2(Nc3nccnc3-c3nn[n-]n3)CC2)no1 ZINC001573879965 950738224 /nfs/dbraw/zinc/73/82/24/950738224.db2.gz QRIWWTQANGFQTP-UHFFFAOYSA-N -1 1 383.416 1.317 20 0 GDADMM CC1(C)CC(C(=O)NC[C@@]2(C)CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001575629516 950740970 /nfs/dbraw/zinc/74/09/70/950740970.db2.gz OKDLNRBKDNUORD-LJQANCHMSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C)CC(C(=O)NC[C@@]2(C)CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001575629516 950740982 /nfs/dbraw/zinc/74/09/82/950740982.db2.gz OKDLNRBKDNUORD-LJQANCHMSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C)c1cc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)no1 ZINC001573880145 950741469 /nfs/dbraw/zinc/74/14/69/950741469.db2.gz SWSPFWOOEXVAKO-SNVBAGLBSA-N -1 1 383.416 1.269 20 0 GDADMM CC(C)(C)c1cc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)no1 ZINC001573880145 950741481 /nfs/dbraw/zinc/74/14/81/950741481.db2.gz SWSPFWOOEXVAKO-SNVBAGLBSA-N -1 1 383.416 1.269 20 0 GDADMM C[C@H](CC(=O)c1ccccc1)NS(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001574520763 950745930 /nfs/dbraw/zinc/74/59/30/950745930.db2.gz YJBFVGVNXUNXLA-SNVBAGLBSA-N -1 1 377.451 1.868 20 0 GDADMM C[C@H](CN(C)C(=O)c1cnn(C(C)(C)C)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574764270 950749188 /nfs/dbraw/zinc/74/91/88/950749188.db2.gz RTWZOJXEGRGUPZ-LLVKDONJSA-N -1 1 384.448 1.181 20 0 GDADMM C[C@H](CN(C)C(=O)c1cnn(C(C)(C)C)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574764270 950749200 /nfs/dbraw/zinc/74/92/00/950749200.db2.gz RTWZOJXEGRGUPZ-LLVKDONJSA-N -1 1 384.448 1.181 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)Cc1cccc(F)c1 ZINC001575927726 950752971 /nfs/dbraw/zinc/75/29/71/950752971.db2.gz SWZWQGYYLGAOIT-FZMZJTMJSA-N -1 1 382.403 1.440 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)Cc1cccc(F)c1 ZINC001575927726 950752987 /nfs/dbraw/zinc/75/29/87/950752987.db2.gz SWZWQGYYLGAOIT-FZMZJTMJSA-N -1 1 382.403 1.440 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cnc2cnccc2c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574764508 950753786 /nfs/dbraw/zinc/75/37/86/950753786.db2.gz UPZKPBXDZQVFSB-NSHDSACASA-N -1 1 390.411 1.173 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cnc2cnccc2c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574764508 950753804 /nfs/dbraw/zinc/75/38/04/950753804.db2.gz UPZKPBXDZQVFSB-NSHDSACASA-N -1 1 390.411 1.173 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C2CCC2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576217683 950768648 /nfs/dbraw/zinc/76/86/48/950768648.db2.gz IPBIGEMESBSTBP-QWHCGFSZSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C2CCC2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576217683 950768658 /nfs/dbraw/zinc/76/86/58/950768658.db2.gz IPBIGEMESBSTBP-QWHCGFSZSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cnsn1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574765091 950772365 /nfs/dbraw/zinc/77/23/65/950772365.db2.gz DPASTWAKMLJLKR-YFKPBYRVSA-N -1 1 385.866 1.401 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cnsn1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574765091 950772374 /nfs/dbraw/zinc/77/23/74/950772374.db2.gz DPASTWAKMLJLKR-YFKPBYRVSA-N -1 1 385.866 1.401 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C(F)(F)F)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576218019 950779500 /nfs/dbraw/zinc/77/95/00/950779500.db2.gz KGMQKHBLECUTCW-BDAKNGLRSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C(F)(F)F)C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576218019 950779509 /nfs/dbraw/zinc/77/95/09/950779509.db2.gz KGMQKHBLECUTCW-BDAKNGLRSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)Cc1ccccc1F ZINC001575931132 950802815 /nfs/dbraw/zinc/80/28/15/950802815.db2.gz GXSUUEDTROOKMD-BXUZGUMPSA-N -1 1 382.403 1.440 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)Cc1ccccc1F ZINC001575931132 950802834 /nfs/dbraw/zinc/80/28/34/950802834.db2.gz GXSUUEDTROOKMD-BXUZGUMPSA-N -1 1 382.403 1.440 20 0 GDADMM C[C@@H]1[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCN1C(=O)c1ncccn1 ZINC001575931098 950803343 /nfs/dbraw/zinc/80/33/43/950803343.db2.gz GTZMIBQFBAJFMP-SFYZADRCSA-N -1 1 391.848 1.482 20 0 GDADMM CC1(C)CC(CC(=O)NCC[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001575632818 950807099 /nfs/dbraw/zinc/80/70/99/950807099.db2.gz NSQHXNXUQIFGRZ-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C)c1nc[nH]c1C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573885086 950818674 /nfs/dbraw/zinc/81/86/74/950818674.db2.gz OCLWORGPQJLUAH-AOOOYVTPSA-N -1 1 382.432 1.050 20 0 GDADMM CC(C)(C)c1nc[nH]c1C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573885086 950818699 /nfs/dbraw/zinc/81/86/99/950818699.db2.gz OCLWORGPQJLUAH-AOOOYVTPSA-N -1 1 382.432 1.050 20 0 GDADMM CC(C)CCCC(=O)N1CCC[C@](CO)(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574187064 950830329 /nfs/dbraw/zinc/83/03/29/950830329.db2.gz OCCMJFLZBLJTIO-SFHVURJKSA-N -1 1 388.476 1.248 20 0 GDADMM CC(C)CCCC(=O)N1CCC[C@](CO)(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574187064 950830350 /nfs/dbraw/zinc/83/03/50/950830350.db2.gz OCCMJFLZBLJTIO-SFHVURJKSA-N -1 1 388.476 1.248 20 0 GDADMM CC(C)(C)c1nc[nH]c1C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573885547 950834597 /nfs/dbraw/zinc/83/45/97/950834597.db2.gz TYLLBOKWXWNCFI-UHFFFAOYSA-N -1 1 386.485 1.563 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576220641 950838472 /nfs/dbraw/zinc/83/84/72/950838472.db2.gz RZCZKRIDZKZCCV-KOLCDFICSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576220641 950838490 /nfs/dbraw/zinc/83/84/90/950838490.db2.gz RZCZKRIDZKZCCV-KOLCDFICSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@H](CN(C)C(=O)c1nc(Cl)cs1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574767271 950843578 /nfs/dbraw/zinc/84/35/78/950843578.db2.gz PDORITCFHQVXKZ-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CN(C)C(=O)c1nc(Cl)cs1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574767271 950843586 /nfs/dbraw/zinc/84/35/86/950843586.db2.gz PDORITCFHQVXKZ-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)c2ccccc2)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576221192 950846112 /nfs/dbraw/zinc/84/61/12/950846112.db2.gz USGRMTLYBOAPTE-CJNGLKHVSA-N -1 1 392.467 1.893 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)c2ccccc2)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576221192 950846136 /nfs/dbraw/zinc/84/61/36/950846136.db2.gz USGRMTLYBOAPTE-CJNGLKHVSA-N -1 1 392.467 1.893 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)n1 ZINC001573887657 950847488 /nfs/dbraw/zinc/84/74/88/950847488.db2.gz HRFSHNPBBIYLKH-BDAKNGLRSA-N -1 1 389.338 1.103 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)n1 ZINC001573887657 950847511 /nfs/dbraw/zinc/84/75/11/950847511.db2.gz HRFSHNPBBIYLKH-BDAKNGLRSA-N -1 1 389.338 1.103 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)Cn2ccc(C(F)(F)F)n2)n1 ZINC001573887635 950850100 /nfs/dbraw/zinc/85/01/00/950850100.db2.gz GSBBUTWXAJQEIB-UHFFFAOYSA-N -1 1 383.338 1.672 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)Cn2ccc(C(F)(F)F)n2)n1 ZINC001573887635 950850116 /nfs/dbraw/zinc/85/01/16/950850116.db2.gz GSBBUTWXAJQEIB-UHFFFAOYSA-N -1 1 383.338 1.672 20 0 GDADMM CC1(C)C[C@H]1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)CC(C)(C)C1 ZINC001575639179 950855690 /nfs/dbraw/zinc/85/56/90/950855690.db2.gz OWIIGAWSEQNZQD-STQMWFEESA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C[C@H]1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)CC(C)(C)C1 ZINC001575639179 950855697 /nfs/dbraw/zinc/85/56/97/950855697.db2.gz OWIIGAWSEQNZQD-STQMWFEESA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C[C@@H](NC(=O)C2CC=CC2)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575639210 950858128 /nfs/dbraw/zinc/85/81/28/950858128.db2.gz PQXSMCHYZCPJDP-AWEZNQCLSA-N -1 1 382.472 1.734 20 0 GDADMM CC1(C)C[C@@H](NC(=O)C2CC=CC2)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575639210 950858145 /nfs/dbraw/zinc/85/81/45/950858145.db2.gz PQXSMCHYZCPJDP-AWEZNQCLSA-N -1 1 382.472 1.734 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(Cn3cccn3)o2)n1 ZINC001573888543 950872281 /nfs/dbraw/zinc/87/22/81/950872281.db2.gz WAJXPNSCNAUNIX-UHFFFAOYSA-N -1 1 381.400 1.908 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(Cn3cccn3)o2)n1 ZINC001573888543 950872292 /nfs/dbraw/zinc/87/22/92/950872292.db2.gz WAJXPNSCNAUNIX-UHFFFAOYSA-N -1 1 381.400 1.908 20 0 GDADMM CC(C)CCCC(=O)NC1(CNc2cnc(-c3nnn[n-]3)cn2)CCOCC1 ZINC001574189364 950881033 /nfs/dbraw/zinc/88/10/33/950881033.db2.gz JHGSNTIBQXAJHQ-UHFFFAOYSA-N -1 1 388.476 1.560 20 0 GDADMM CC(C)CCCC(=O)NC1(CNc2cnc(-c3nn[n-]n3)cn2)CCOCC1 ZINC001574189364 950881049 /nfs/dbraw/zinc/88/10/49/950881049.db2.gz JHGSNTIBQXAJHQ-UHFFFAOYSA-N -1 1 388.476 1.560 20 0 GDADMM C[C@H]1[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCN1C(=O)c1ccon1 ZINC001575935781 950891076 /nfs/dbraw/zinc/89/10/76/950891076.db2.gz YRWTUKRAXGQALL-BQBZGAKWSA-N -1 1 380.821 1.680 20 0 GDADMM CC1(C)C[C@H](NC(=O)CCCF)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575640483 950896396 /nfs/dbraw/zinc/89/63/96/950896396.db2.gz HVBDLYMYCUJQOY-GFCCVEGCSA-N -1 1 376.440 1.518 20 0 GDADMM CC1(C)C[C@H](NC(=O)CCCF)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575640483 950896414 /nfs/dbraw/zinc/89/64/14/950896414.db2.gz HVBDLYMYCUJQOY-GFCCVEGCSA-N -1 1 376.440 1.518 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1occ2c1CCC2 ZINC001575935926 950901831 /nfs/dbraw/zinc/90/18/31/950901831.db2.gz CCVJUXVMMRKFDY-GXFFZTMASA-N -1 1 380.412 1.454 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1occ2c1CCC2 ZINC001575935926 950901845 /nfs/dbraw/zinc/90/18/45/950901845.db2.gz CCVJUXVMMRKFDY-GXFFZTMASA-N -1 1 380.412 1.454 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1occ2c1CCC2 ZINC001575935925 950902867 /nfs/dbraw/zinc/90/28/67/950902867.db2.gz CCVJUXVMMRKFDY-GWCFXTLKSA-N -1 1 380.412 1.454 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1occ2c1CCC2 ZINC001575935925 950902885 /nfs/dbraw/zinc/90/28/85/950902885.db2.gz CCVJUXVMMRKFDY-GWCFXTLKSA-N -1 1 380.412 1.454 20 0 GDADMM CC(C)CCCC(=O)NC[C@H](O)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574189942 950903962 /nfs/dbraw/zinc/90/39/62/950903962.db2.gz TUFWNOVEABHVES-VIFPVBQESA-N -1 1 387.897 1.692 20 0 GDADMM CC1(C)C[C@H]1C(=O)N1CC[C@]2(C1)CCCN(c1nccnc1-c1nnn[n-]1)C2 ZINC001575642465 950947416 /nfs/dbraw/zinc/94/74/16/950947416.db2.gz HEUNOBJHSPFITL-ORAYPTAESA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)C[C@H]1C(=O)N1CC[C@]2(C1)CCCN(c1nccnc1-c1nn[n-]n1)C2 ZINC001575642465 950947427 /nfs/dbraw/zinc/94/74/27/950947427.db2.gz HEUNOBJHSPFITL-ORAYPTAESA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H]1C[C@H](C(=O)N(C)C2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)CCO1 ZINC001575937546 950949427 /nfs/dbraw/zinc/94/94/27/950949427.db2.gz FVODQMCBGOWKAN-NWDGAFQWSA-N -1 1 376.486 1.386 20 0 GDADMM CC(C)(CC(=O)NC[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)C1CC1 ZINC001573898054 950969639 /nfs/dbraw/zinc/96/96/39/950969639.db2.gz VYPREVUYTRXYMK-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(CC(=O)NC[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)C1CC1 ZINC001573898054 950969652 /nfs/dbraw/zinc/96/96/52/950969652.db2.gz VYPREVUYTRXYMK-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)c1ccc(C(=O)NC[C@@H](C)CNc2ccnc(-c3nn[n-]n3)n2)cn1 ZINC001575017138 950975779 /nfs/dbraw/zinc/97/57/79/950975779.db2.gz AOXNEMVDXQZNBS-LBPRGKRZSA-N -1 1 381.444 1.075 20 0 GDADMM CC(C)(CC(=O)NCC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)C1CC1 ZINC001573899540 950983283 /nfs/dbraw/zinc/98/32/83/950983283.db2.gz CVDSPLGMPMYJGX-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(CC(=O)NCC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)C1CC1 ZINC001573899540 950983302 /nfs/dbraw/zinc/98/33/02/950983302.db2.gz CVDSPLGMPMYJGX-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H]1CN(C(=O)C2C=CC=CC=C2)CC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576230288 950999751 /nfs/dbraw/zinc/99/97/51/950999751.db2.gz ANKRLIGRIWOUQY-HOCLYGCPSA-N -1 1 392.467 1.274 20 0 GDADMM CCOC(=O)N1C[C@H](NCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)[C@@H](CO)C1 ZINC001590873469 951007496 /nfs/dbraw/zinc/00/74/96/951007496.db2.gz NTGDNNHLGPUERL-FMKPAKJESA-N -1 1 395.456 1.119 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(C)(C)C)cn1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575019918 951046433 /nfs/dbraw/zinc/04/64/33/951046433.db2.gz WYMTYFZBIQRKIT-NSHDSACASA-N -1 1 381.444 1.002 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)cc1F)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575022824 951073286 /nfs/dbraw/zinc/07/32/86/951073286.db2.gz KEEXUCXPUIZLAC-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)cc1F)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575022824 951073300 /nfs/dbraw/zinc/07/33/00/951073300.db2.gz KEEXUCXPUIZLAC-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)c(C(F)F)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575023527 951080416 /nfs/dbraw/zinc/08/04/16/951080416.db2.gz NAFTXLJQJAAXPY-QMMMGPOBSA-N -1 1 392.345 1.964 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)c(C(F)F)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575023527 951080427 /nfs/dbraw/zinc/08/04/27/951080427.db2.gz NAFTXLJQJAAXPY-QMMMGPOBSA-N -1 1 392.345 1.964 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)c(Cl)c1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575023938 951089301 /nfs/dbraw/zinc/08/93/01/951089301.db2.gz SNXHEOVWDWNPEG-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)c(Cl)c1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575023938 951089315 /nfs/dbraw/zinc/08/93/15/951089315.db2.gz SNXHEOVWDWNPEG-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)C[C@H](C)O2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575024316 951098901 /nfs/dbraw/zinc/09/89/01/951098901.db2.gz ASMJGEKCQMHGTO-MNOVXSKESA-N -1 1 380.412 1.211 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)C[C@H](C)O2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575024316 951098922 /nfs/dbraw/zinc/09/89/22/951098922.db2.gz ASMJGEKCQMHGTO-MNOVXSKESA-N -1 1 380.412 1.211 20 0 GDADMM C[C@H](CNC(=O)c1ccc(N(C)C)cc1)CNc1nccnc1-c1nnn[n-]1 ZINC001575024888 951117457 /nfs/dbraw/zinc/11/74/57/951117457.db2.gz OXDOKFIROSEHHD-LBPRGKRZSA-N -1 1 381.444 1.201 20 0 GDADMM C[C@H](CNC(=O)c1ccc(N(C)C)cc1)CNc1nccnc1-c1nn[n-]n1 ZINC001575024888 951117465 /nfs/dbraw/zinc/11/74/65/951117465.db2.gz OXDOKFIROSEHHD-LBPRGKRZSA-N -1 1 381.444 1.201 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)cc1Cl)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575024932 951120370 /nfs/dbraw/zinc/12/03/70/951120370.db2.gz QABCOVXYYOXWEO-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)cc1Cl)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575024932 951120382 /nfs/dbraw/zinc/12/03/82/951120382.db2.gz QABCOVXYYOXWEO-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCO2)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575025084 951125260 /nfs/dbraw/zinc/12/52/60/951125260.db2.gz UPCLPEDMTBAQLD-NSHDSACASA-N -1 1 380.412 1.070 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCO2)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575025084 951125264 /nfs/dbraw/zinc/12/52/64/951125264.db2.gz UPCLPEDMTBAQLD-NSHDSACASA-N -1 1 380.412 1.070 20 0 GDADMM CC(C)Oc1ccc(C(=O)NC[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)cn1 ZINC001575025098 951126575 /nfs/dbraw/zinc/12/65/75/951126575.db2.gz UZCXZIIQIJHUCR-NSHDSACASA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1ccc(C(=O)NC[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)cn1 ZINC001575025098 951126583 /nfs/dbraw/zinc/12/65/83/951126583.db2.gz UZCXZIIQIJHUCR-NSHDSACASA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)c1cccc(C(=O)NC[C@H](C)CNc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001575025836 951135794 /nfs/dbraw/zinc/13/57/94/951135794.db2.gz BUNRHOHNXDSMCT-GFCCVEGCSA-N -1 1 381.444 1.653 20 0 GDADMM CC(C)c1cccc(C(=O)NC[C@H](C)CNc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001575025836 951135801 /nfs/dbraw/zinc/13/58/01/951135801.db2.gz BUNRHOHNXDSMCT-GFCCVEGCSA-N -1 1 381.444 1.653 20 0 GDADMM C[C@H](CNC(=O)c1cccc(F)c1Cl)CNc1nccnc1-c1nnn[n-]1 ZINC001575025918 951135974 /nfs/dbraw/zinc/13/59/74/951135974.db2.gz CSAAYPVOXFIETI-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@H](CNC(=O)c1cccc(F)c1Cl)CNc1nccnc1-c1nn[n-]n1 ZINC001575025918 951135979 /nfs/dbraw/zinc/13/59/79/951135979.db2.gz CSAAYPVOXFIETI-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@H](CNC(=O)c1cccc(F)c1Cl)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575025865 951136460 /nfs/dbraw/zinc/13/64/60/951136460.db2.gz CJQNBTQEPGJWIC-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@H](CNC(=O)c1cccc(F)c1Cl)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575025865 951136467 /nfs/dbraw/zinc/13/64/67/951136467.db2.gz CJQNBTQEPGJWIC-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(Cl)c1F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575027491 951157842 /nfs/dbraw/zinc/15/78/42/951157842.db2.gz QNJRCXPZYKUMAG-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(Cl)c1F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575027491 951157849 /nfs/dbraw/zinc/15/78/49/951157849.db2.gz QNJRCXPZYKUMAG-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CNC(=O)c1cccc(F)c1Cl)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575027649 951163346 /nfs/dbraw/zinc/16/33/46/951163346.db2.gz HLDGBDCNBYHPBD-MRVPVSSYSA-N -1 1 376.783 1.102 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(F)c1Cl)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575028617 951178229 /nfs/dbraw/zinc/17/82/29/951178229.db2.gz OSXSTOKTLDCCON-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2c1CCC2)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575029005 951179968 /nfs/dbraw/zinc/17/99/68/951179968.db2.gz RAPVKGVBZUQZCM-LBPRGKRZSA-N -1 1 378.440 1.400 20 0 GDADMM C[C@@H](CNC(=O)c1cccnc1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575031525 951196059 /nfs/dbraw/zinc/19/60/59/951196059.db2.gz CCRBTGKTXJJFAV-QMMMGPOBSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@@H](CNC(=O)c1cccnc1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575031525 951196067 /nfs/dbraw/zinc/19/60/67/951196067.db2.gz CCRBTGKTXJJFAV-QMMMGPOBSA-N -1 1 378.849 1.850 20 0 GDADMM CC(C)Oc1ncccc1C(=O)NC[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575031553 951196948 /nfs/dbraw/zinc/19/69/48/951196948.db2.gz CTIMSLDLLJOJKI-NSHDSACASA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1ncccc1C(=O)NC[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575031553 951196954 /nfs/dbraw/zinc/19/69/54/951196954.db2.gz CTIMSLDLLJOJKI-NSHDSACASA-N -1 1 383.416 1.069 20 0 GDADMM C[C@@H](CNC(=O)c1ccncc1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001575034621 951252826 /nfs/dbraw/zinc/25/28/26/951252826.db2.gz OWKRSCJWZNJETA-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@@H](CNC(=O)c1ccncc1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001575034621 951252833 /nfs/dbraw/zinc/25/28/33/951252833.db2.gz OWKRSCJWZNJETA-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@@H](CNC(=O)c1ccsc1C(F)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575037909 951311320 /nfs/dbraw/zinc/31/13/20/951311320.db2.gz FNOHBHPSRXXINH-ZETCQYMHSA-N -1 1 380.384 1.886 20 0 GDADMM C[C@@H](CNC(=O)c1ccsc1C(F)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575037909 951311335 /nfs/dbraw/zinc/31/13/35/951311335.db2.gz FNOHBHPSRXXINH-ZETCQYMHSA-N -1 1 380.384 1.886 20 0 GDADMM C[C@@H](CNC(=O)c1cnc(C2CC2)s1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575044630 951415694 /nfs/dbraw/zinc/41/56/94/951415694.db2.gz SXTCIFDYKPHBRI-SECBINFHSA-N -1 1 385.457 1.469 20 0 GDADMM C[C@@H](CNC(=O)c1cnc(C2CC2)s1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575044630 951415703 /nfs/dbraw/zinc/41/57/03/951415703.db2.gz SXTCIFDYKPHBRI-SECBINFHSA-N -1 1 385.457 1.469 20 0 GDADMM C[C@H](CNC(=O)c1coc(C(F)F)c1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575056365 951517831 /nfs/dbraw/zinc/51/78/31/951517831.db2.gz IDFLJRNNRZURNS-QMMMGPOBSA-N -1 1 378.343 1.087 20 0 GDADMM C[C@H](CNC(=O)c1coc(C(C)(C)C)n1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575057383 951527152 /nfs/dbraw/zinc/52/71/52/951527152.db2.gz OVMRKXVMBWTNGT-SNVBAGLBSA-N -1 1 385.432 1.197 20 0 GDADMM C[C@H](CNC(=O)c1coc(C(C)(C)C)n1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575057383 951527162 /nfs/dbraw/zinc/52/71/62/951527162.db2.gz OVMRKXVMBWTNGT-SNVBAGLBSA-N -1 1 385.432 1.197 20 0 GDADMM C[C@H](CNC(=O)c1csc(Cl)n1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575057878 951532291 /nfs/dbraw/zinc/53/22/91/951532291.db2.gz SHLKCBUBBNCTRW-ZETCQYMHSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@H](CNC(=O)c1csc(Cl)n1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575057878 951532301 /nfs/dbraw/zinc/53/23/01/951532301.db2.gz SHLKCBUBBNCTRW-ZETCQYMHSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@H](CNC(=O)c1ncc(Cl)s1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575060730 951547567 /nfs/dbraw/zinc/54/75/67/951547567.db2.gz FDDXFGPRVOUGLO-SSDOTTSWSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@H](CNC(=O)c1ncc(Cl)s1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575060730 951547571 /nfs/dbraw/zinc/54/75/71/951547571.db2.gz FDDXFGPRVOUGLO-SSDOTTSWSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@@H](CNC(=O)c1n[nH]cc1F)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575061582 951557223 /nfs/dbraw/zinc/55/72/23/951557223.db2.gz NPXFCXSEDXEKCS-YFKPBYRVSA-N -1 1 385.816 1.317 20 0 GDADMM C[C@@H](CNC(=O)c1n[nH]cc1F)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575061582 951557235 /nfs/dbraw/zinc/55/72/35/951557235.db2.gz NPXFCXSEDXEKCS-YFKPBYRVSA-N -1 1 385.816 1.317 20 0 GDADMM C[C@H](CNC(=O)c1ncsc1C1CC1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575066909 951602040 /nfs/dbraw/zinc/60/20/40/951602040.db2.gz NPMBNRDGXTUBAP-SECBINFHSA-N -1 1 385.457 1.245 20 0 GDADMM C[C@H](CNC(=O)c1ncsc1C1CC1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575066909 951602047 /nfs/dbraw/zinc/60/20/47/951602047.db2.gz NPMBNRDGXTUBAP-SECBINFHSA-N -1 1 385.457 1.245 20 0 GDADMM C[C@H](CNC(=O)c1ncccc1F)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575067879 951625273 /nfs/dbraw/zinc/62/52/73/951625273.db2.gz QFNQRPHWMKJVLY-ZCFIWIBFSA-N -1 1 382.812 1.741 20 0 GDADMM C[C@H](CNC(=O)c1ncccn1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575067914 951626194 /nfs/dbraw/zinc/62/61/94/951626194.db2.gz RTHRTBBBBJULDW-SSDOTTSWSA-N -1 1 379.837 1.245 20 0 GDADMM O=C([O-])CN1CCC[C@@H](C(=O)Nc2n[nH]c3nc(C(F)(F)F)ccc23)C1=O ZINC001595086681 951736462 /nfs/dbraw/zinc/73/64/62/951736462.db2.gz FUGCNLFLOZDXRS-QMMMGPOBSA-N -1 1 385.302 1.238 20 0 GDADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)COC1CCCC1)C1CC1 ZINC001575123686 952018272 /nfs/dbraw/zinc/01/82/72/952018272.db2.gz BTWJGUPNLNOCHK-SFHVURJKSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)COC1CCCC1)C1CC1 ZINC001575123686 952018281 /nfs/dbraw/zinc/01/82/81/952018281.db2.gz BTWJGUPNLNOCHK-SFHVURJKSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)C[C@H]1CCCCO1)C1CC1 ZINC001575128128 952064934 /nfs/dbraw/zinc/06/49/34/952064934.db2.gz FGRBJLGXMHSXMC-ACJLOTCBSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)C[C@H]1CCCCO1)C1CC1 ZINC001575128128 952064943 /nfs/dbraw/zinc/06/49/43/952064943.db2.gz FGRBJLGXMHSXMC-ACJLOTCBSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)CC[C@H]1CCCO1)C1CC1 ZINC001575129221 952077803 /nfs/dbraw/zinc/07/78/03/952077803.db2.gz RHLUMIJDVNTHFG-FZKQIMNGSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)CC[C@H]1CCCO1)C1CC1 ZINC001575129221 952077812 /nfs/dbraw/zinc/07/78/12/952077812.db2.gz RHLUMIJDVNTHFG-FZKQIMNGSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1sccc1Cl ZINC001575132801 952098409 /nfs/dbraw/zinc/09/84/09/952098409.db2.gz BFCCSEDRJPZEHM-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1sccc1Cl ZINC001575132801 952098417 /nfs/dbraw/zinc/09/84/17/952098417.db2.gz BFCCSEDRJPZEHM-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)c1ncccc1F)C1CC1 ZINC001575134190 952108876 /nfs/dbraw/zinc/10/88/76/952108876.db2.gz MUHNGHNMYDDHMH-QGZVFWFLSA-N -1 1 383.391 1.201 20 0 GDADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)c1ncccc1F)C1CC1 ZINC001575134190 952108883 /nfs/dbraw/zinc/10/88/83/952108883.db2.gz MUHNGHNMYDDHMH-QGZVFWFLSA-N -1 1 383.391 1.201 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ccc2ccccc2n1 ZINC001575134747 952113996 /nfs/dbraw/zinc/11/39/96/952113996.db2.gz OWPYXAQAMSOHFF-LBPRGKRZSA-N -1 1 389.423 1.778 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ccc2ccccc2n1 ZINC001575134747 952114001 /nfs/dbraw/zinc/11/40/01/952114001.db2.gz OWPYXAQAMSOHFF-LBPRGKRZSA-N -1 1 389.423 1.778 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)C(C)(C)[C@H]1CCCCO1 ZINC001575135427 952117272 /nfs/dbraw/zinc/11/72/72/952117272.db2.gz RLCVPQTYQHHUDJ-TZMCWYRMSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)C(C)(C)[C@H]1CCCCO1 ZINC001575135427 952117279 /nfs/dbraw/zinc/11/72/79/952117279.db2.gz RLCVPQTYQHHUDJ-TZMCWYRMSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H]1CCc2ccccc2C1 ZINC001575135354 952117296 /nfs/dbraw/zinc/11/72/96/952117296.db2.gz QSDGOJXRWJQDFK-XJKSGUPXSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H]1CCc2ccccc2C1 ZINC001575135354 952117300 /nfs/dbraw/zinc/11/73/00/952117300.db2.gz QSDGOJXRWJQDFK-XJKSGUPXSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)C1CC2(C1)CCOCC2 ZINC001575135290 952117335 /nfs/dbraw/zinc/11/73/35/952117335.db2.gz QEFUUIZRUVCGAJ-LBPRGKRZSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)C1CC2(C1)CCOCC2 ZINC001575135290 952117339 /nfs/dbraw/zinc/11/73/39/952117339.db2.gz QEFUUIZRUVCGAJ-LBPRGKRZSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1c(F)cc(F)cc1F ZINC001575135443 952117742 /nfs/dbraw/zinc/11/77/42/952117742.db2.gz ROVZRROZKLKQMC-QMMMGPOBSA-N -1 1 392.345 1.647 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1c(F)cc(F)cc1F ZINC001575135443 952117749 /nfs/dbraw/zinc/11/77/49/952117749.db2.gz ROVZRROZKLKQMC-QMMMGPOBSA-N -1 1 392.345 1.647 20 0 GDADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)CCc1ccco1)C1CC1 ZINC001575139840 952141934 /nfs/dbraw/zinc/14/19/34/952141934.db2.gz CLNWQBPGWABKER-GOSISDBHSA-N -1 1 382.428 1.001 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)CC(C)(C)C(F)(F)F ZINC001575140767 952143689 /nfs/dbraw/zinc/14/36/89/952143689.db2.gz GGSYRSLAWNYVLB-VIFPVBQESA-N -1 1 386.382 1.316 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C1(Cc2ccccc2)CC1 ZINC001575142081 952145564 /nfs/dbraw/zinc/14/55/64/952145564.db2.gz IJFHEJFTPLOZHH-AWEZNQCLSA-N -1 1 392.467 1.360 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCCc2ccccc21 ZINC001575144666 952168898 /nfs/dbraw/zinc/16/88/98/952168898.db2.gz XDGAQRMDKNOOPV-XJKSGUPXSA-N -1 1 392.467 1.458 20 0 GDADMM O=C([O-])Cn1cccc(C(=O)Nc2nc(-c3ccc(O)c(Cl)c3)n[nH]2)c1=O ZINC001595158054 952176052 /nfs/dbraw/zinc/17/60/52/952176052.db2.gz FBDBYJNFFIETCH-UHFFFAOYSA-N -1 1 389.755 1.329 20 0 GDADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)c1ccc(F)s1)C1CC1 ZINC001575154144 952216415 /nfs/dbraw/zinc/21/64/15/952216415.db2.gz OSVPMMCXWNISMA-MRXNPFEDSA-N -1 1 388.432 1.868 20 0 GDADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)c1ccc(F)s1)C1CC1 ZINC001575154144 952216423 /nfs/dbraw/zinc/21/64/23/952216423.db2.gz OSVPMMCXWNISMA-MRXNPFEDSA-N -1 1 388.432 1.868 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)C(C)(C)CC(F)(F)F ZINC001575154146 952216826 /nfs/dbraw/zinc/21/68/26/952216826.db2.gz OVFLOCBKASWNGY-VIFPVBQESA-N -1 1 386.382 1.894 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)C(C)(C)CC(F)(F)F ZINC001575154146 952216830 /nfs/dbraw/zinc/21/68/30/952216830.db2.gz OVFLOCBKASWNGY-VIFPVBQESA-N -1 1 386.382 1.894 20 0 GDADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)CC[C@H]1CCCO1)C1CC1 ZINC001575155321 952236888 /nfs/dbraw/zinc/23/68/88/952236888.db2.gz KWRFVPDCGLJENC-FZKQIMNGSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)CC[C@H]1CCCO1)C1CC1 ZINC001575155321 952236895 /nfs/dbraw/zinc/23/68/95/952236895.db2.gz KWRFVPDCGLJENC-FZKQIMNGSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)[C@H]1CCC(F)(F)C1)C1CC1 ZINC001575155870 952245029 /nfs/dbraw/zinc/24/50/29/952245029.db2.gz PMQSDKWYEZWTBD-QFYYESIMSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)[C@H]1CCC(F)(F)C1)C1CC1 ZINC001575155870 952245037 /nfs/dbraw/zinc/24/50/37/952245037.db2.gz PMQSDKWYEZWTBD-QFYYESIMSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cc2ccsc2[nH]1 ZINC001575156963 952260138 /nfs/dbraw/zinc/26/01/38/952260138.db2.gz JMCUKEWCOBKFKN-SECBINFHSA-N -1 1 383.441 1.772 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc2ccsc2[nH]1 ZINC001575156963 952260145 /nfs/dbraw/zinc/26/01/45/952260145.db2.gz JMCUKEWCOBKFKN-SECBINFHSA-N -1 1 383.441 1.772 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CCCC1CCOCC1 ZINC001575158899 952274699 /nfs/dbraw/zinc/27/46/99/952274699.db2.gz XGFXOHAYNQWZLD-CYBMUJFWSA-N -1 1 388.476 1.512 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CCCC1CCOCC1 ZINC001575158899 952274706 /nfs/dbraw/zinc/27/47/06/952274706.db2.gz XGFXOHAYNQWZLD-CYBMUJFWSA-N -1 1 388.476 1.512 20 0 GDADMM O=C([O-])[C@@]12COC[C@@H]1CN(S(=O)(=O)c1cc(C(F)(F)F)ccc1O)C2 ZINC001595192118 952287954 /nfs/dbraw/zinc/28/79/54/952287954.db2.gz HKZWLURWKDTYEX-ZANVPECISA-N -1 1 381.328 1.133 20 0 GDADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)c1ccnn1C ZINC001575165315 952306865 /nfs/dbraw/zinc/30/68/65/952306865.db2.gz NISHOFTXAHEBFP-ZETCQYMHSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)c1ncccc1F)C1CC1 ZINC001575173978 952362517 /nfs/dbraw/zinc/36/25/17/952362517.db2.gz DSBBXXNSERHNMG-KRWDZBQOSA-N -1 1 383.391 1.201 20 0 GDADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)c1ncccc1F)C1CC1 ZINC001575173978 952362521 /nfs/dbraw/zinc/36/25/21/952362521.db2.gz DSBBXXNSERHNMG-KRWDZBQOSA-N -1 1 383.391 1.201 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCc2ccccc2C1 ZINC001575174102 952363336 /nfs/dbraw/zinc/36/33/36/952363336.db2.gz HCOIVRRDBLQDEP-BBRMVZONSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCc2ccccc2C1 ZINC001575174102 952363345 /nfs/dbraw/zinc/36/33/45/952363345.db2.gz HCOIVRRDBLQDEP-BBRMVZONSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)C[C@@H]1CCC(F)(F)C1 ZINC001575174754 952378239 /nfs/dbraw/zinc/37/82/39/952378239.db2.gz SFSKKBQABXWDIE-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)C[C@@H]1CCC(F)(F)C1 ZINC001575174754 952378245 /nfs/dbraw/zinc/37/82/45/952378245.db2.gz SFSKKBQABXWDIE-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)c1ccc(Cl)o1)C1CC1 ZINC001575174742 952378543 /nfs/dbraw/zinc/37/85/43/952378543.db2.gz RZPVBYPWDCRZNG-INIZCTEOSA-N -1 1 388.819 1.914 20 0 GDADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)c1ccc(Cl)o1)C1CC1 ZINC001575174742 952378552 /nfs/dbraw/zinc/37/85/52/952378552.db2.gz RZPVBYPWDCRZNG-INIZCTEOSA-N -1 1 388.819 1.914 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ccn(C(C)(C)C)n1 ZINC001575177052 952397774 /nfs/dbraw/zinc/39/77/74/952397774.db2.gz GJWGNTORANTPTO-NSHDSACASA-N -1 1 384.448 1.181 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ccn(C(C)(C)C)n1 ZINC001575177052 952397780 /nfs/dbraw/zinc/39/77/80/952397780.db2.gz GJWGNTORANTPTO-NSHDSACASA-N -1 1 384.448 1.181 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001575177237 952398886 /nfs/dbraw/zinc/39/88/86/952398886.db2.gz HLFMTMBUNYAIEB-RBXMUDONSA-N -1 1 383.865 1.128 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001575177237 952398892 /nfs/dbraw/zinc/39/88/92/952398892.db2.gz HLFMTMBUNYAIEB-RBXMUDONSA-N -1 1 383.865 1.128 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)COCC1CC1 ZINC001575180538 952418298 /nfs/dbraw/zinc/41/82/98/952418298.db2.gz VQHDKWONYBOZIC-QMMMGPOBSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)COCC1CC1 ZINC001575180538 952418308 /nfs/dbraw/zinc/41/83/08/952418308.db2.gz VQHDKWONYBOZIC-QMMMGPOBSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)C[C@@H]1CCOC1 ZINC001575180965 952420900 /nfs/dbraw/zinc/42/09/00/952420900.db2.gz YTRGQELMNNRHSQ-IUCAKERBSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)C[C@@H]1CCOC1 ZINC001575180965 952420910 /nfs/dbraw/zinc/42/09/10/952420910.db2.gz YTRGQELMNNRHSQ-IUCAKERBSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cc2c([nH]1)CCCC2 ZINC001575181153 952420953 /nfs/dbraw/zinc/42/09/53/952420953.db2.gz ZLFXEMBLPJCMSR-NSHDSACASA-N -1 1 381.444 1.436 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cc2c([nH]1)CCCC2 ZINC001575181153 952420963 /nfs/dbraw/zinc/42/09/63/952420963.db2.gz ZLFXEMBLPJCMSR-NSHDSACASA-N -1 1 381.444 1.436 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575188025 952444879 /nfs/dbraw/zinc/44/48/79/952444879.db2.gz GQNYCZOWANXHCG-QWHCGFSZSA-N -1 1 382.428 1.389 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575188025 952444884 /nfs/dbraw/zinc/44/48/84/952444884.db2.gz GQNYCZOWANXHCG-QWHCGFSZSA-N -1 1 382.428 1.389 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC001575190492 952463235 /nfs/dbraw/zinc/46/32/35/952463235.db2.gz SXRAWMGSRIJOJF-NWDGAFQWSA-N -1 1 384.419 1.013 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCC1 ZINC001575195437 952472267 /nfs/dbraw/zinc/47/22/67/952472267.db2.gz AYVZVDRVWANVND-LBPRGKRZSA-N -1 1 382.428 1.579 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCC1 ZINC001575195437 952472269 /nfs/dbraw/zinc/47/22/69/952472269.db2.gz AYVZVDRVWANVND-LBPRGKRZSA-N -1 1 382.428 1.579 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001575196551 952475527 /nfs/dbraw/zinc/47/55/27/952475527.db2.gz HDONIJWGWCTSKH-IAQYHMDHSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001575196551 952475531 /nfs/dbraw/zinc/47/55/31/952475531.db2.gz HDONIJWGWCTSKH-IAQYHMDHSA-N -1 1 382.428 1.435 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2CCC[C@@H](C(C)(C)C)CC2)n(C)c1=O ZINC001571116676 952476908 /nfs/dbraw/zinc/47/69/08/952476908.db2.gz BYXFUIFIUPZZES-VXGBXAGGSA-N -1 1 375.477 1.671 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575197430 952484991 /nfs/dbraw/zinc/48/49/91/952484991.db2.gz VQPGNFJIABZBFG-STQMWFEESA-N -1 1 382.428 1.214 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575197430 952484994 /nfs/dbraw/zinc/48/49/94/952484994.db2.gz VQPGNFJIABZBFG-STQMWFEESA-N -1 1 382.428 1.214 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575200230 952493004 /nfs/dbraw/zinc/49/30/04/952493004.db2.gz AYLKGXQQCNVZIJ-AVGNSLFASA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575200230 952493006 /nfs/dbraw/zinc/49/30/06/952493006.db2.gz AYLKGXQQCNVZIJ-AVGNSLFASA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cc(Cl)no1 ZINC001571121274 952518234 /nfs/dbraw/zinc/51/82/34/952518234.db2.gz ZSPUFNHTZDUMFS-HTQZYQBOSA-N -1 1 375.780 1.013 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cc(Cl)no1 ZINC001571121274 952518238 /nfs/dbraw/zinc/51/82/38/952518238.db2.gz ZSPUFNHTZDUMFS-HTQZYQBOSA-N -1 1 375.780 1.013 20 0 GDADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1)C1C=CC=CC=C1 ZINC001571121290 952518752 /nfs/dbraw/zinc/51/87/52/952518752.db2.gz XRYGXKAALSSORK-KFWWJZLASA-N -1 1 376.424 1.181 20 0 GDADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1)C1C=CC=CC=C1 ZINC001571121290 952518754 /nfs/dbraw/zinc/51/87/54/952518754.db2.gz XRYGXKAALSSORK-KFWWJZLASA-N -1 1 376.424 1.181 20 0 GDADMM CC[C@H](F)C(=O)N1CCC([C@@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001571121586 952520201 /nfs/dbraw/zinc/52/02/01/952520201.db2.gz AACLIWFUFIGIQV-YPMHNXCESA-N -1 1 376.440 1.752 20 0 GDADMM CC[C@H](F)C(=O)N1CCC([C@@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001571121586 952520205 /nfs/dbraw/zinc/52/02/05/952520205.db2.gz AACLIWFUFIGIQV-YPMHNXCESA-N -1 1 376.440 1.752 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575203407 952522417 /nfs/dbraw/zinc/52/24/17/952522417.db2.gz WCLMPRBUCJPYQD-JHJVBQTASA-N -1 1 382.428 1.435 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575203407 952522425 /nfs/dbraw/zinc/52/24/25/952522425.db2.gz WCLMPRBUCJPYQD-JHJVBQTASA-N -1 1 382.428 1.435 20 0 GDADMM Cc1noc([C@@H]2OCC[C@@H]2NC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)n1 ZINC001571123101 952527611 /nfs/dbraw/zinc/52/76/11/952527611.db2.gz OUAOOBCMRJTALR-CMPLNLGQSA-N -1 1 377.311 1.096 20 0 GDADMM Cc1noc([C@@H]2OCC[C@@H]2NC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)n1 ZINC001571123101 952527615 /nfs/dbraw/zinc/52/76/15/952527615.db2.gz OUAOOBCMRJTALR-CMPLNLGQSA-N -1 1 377.311 1.096 20 0 GDADMM O=C(c1cccnc1)N1CC[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571123364 952529308 /nfs/dbraw/zinc/52/93/08/952529308.db2.gz QQMOKDMYAOIAEK-SECBINFHSA-N -1 1 376.833 1.698 20 0 GDADMM O=C(c1cccnc1)N1CC[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571123364 952529312 /nfs/dbraw/zinc/52/93/12/952529312.db2.gz QQMOKDMYAOIAEK-SECBINFHSA-N -1 1 376.833 1.698 20 0 GDADMM Cc1nsc(N2CCC[C@H](CNC(=O)[C@@H]3CCOC3)C2)c1-c1nn[n-]n1 ZINC001571127419 952555658 /nfs/dbraw/zinc/55/56/58/952555658.db2.gz GXDSQMIWBDCFLL-VXGBXAGGSA-N -1 1 377.474 1.001 20 0 GDADMM O=C(c1scnc1Cl)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571127593 952558141 /nfs/dbraw/zinc/55/81/41/952558141.db2.gz JJULTDYZPDJLHB-ZETCQYMHSA-N -1 1 377.821 1.093 20 0 GDADMM O=C(c1scnc1Cl)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571127593 952558143 /nfs/dbraw/zinc/55/81/43/952558143.db2.gz JJULTDYZPDJLHB-ZETCQYMHSA-N -1 1 377.821 1.093 20 0 GDADMM Cc1nsc(N[C@@H]2CCCN(C(=O)c3csnn3)C2)c1-c1nn[n-]n1 ZINC001571127895 952562052 /nfs/dbraw/zinc/56/20/52/952562052.db2.gz MCGZXHHKFSALCJ-MRVPVSSYSA-N -1 1 377.459 1.200 20 0 GDADMM Cc1nsc(N2CCN(C(=O)[C@@]3(C)CCCOC3)CC2)c1-c1nn[n-]n1 ZINC001571128426 952567541 /nfs/dbraw/zinc/56/75/41/952567541.db2.gz UCXWWXLZMZYZNJ-INIZCTEOSA-N -1 1 377.474 1.097 20 0 GDADMM O=C(N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)C1(C(F)F)CCCC1 ZINC001571129747 952576092 /nfs/dbraw/zinc/57/60/92/952576092.db2.gz IGOSBWDRNGXBHC-SNVBAGLBSA-N -1 1 378.387 1.495 20 0 GDADMM O=C(N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)C1(C(F)F)CCCC1 ZINC001571129747 952576096 /nfs/dbraw/zinc/57/60/96/952576096.db2.gz IGOSBWDRNGXBHC-SNVBAGLBSA-N -1 1 378.387 1.495 20 0 GDADMM O=C([C@H]1CC1(F)F)N1CCC[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571130018 952578904 /nfs/dbraw/zinc/57/89/04/952578904.db2.gz MZNDVPSNAHYRDJ-GHMZBOCLSA-N -1 1 378.387 1.353 20 0 GDADMM O=C([C@H]1CC1(F)F)N1CCC[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571130018 952578909 /nfs/dbraw/zinc/57/89/09/952578909.db2.gz MZNDVPSNAHYRDJ-GHMZBOCLSA-N -1 1 378.387 1.353 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571130517 952580438 /nfs/dbraw/zinc/58/04/38/952580438.db2.gz SCZHEYZPHWOJCJ-SNVBAGLBSA-N -1 1 378.387 1.495 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571130517 952580444 /nfs/dbraw/zinc/58/04/44/952580444.db2.gz SCZHEYZPHWOJCJ-SNVBAGLBSA-N -1 1 378.387 1.495 20 0 GDADMM O=C([C@H]1CCC(F)(F)C1)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571130955 952583851 /nfs/dbraw/zinc/58/38/51/952583851.db2.gz ZZBHQLJBIOTNOO-NSHDSACASA-N -1 1 378.387 1.131 20 0 GDADMM O=C([C@H]1CCC(F)(F)C1)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571130955 952583854 /nfs/dbraw/zinc/58/38/54/952583854.db2.gz ZZBHQLJBIOTNOO-NSHDSACASA-N -1 1 378.387 1.131 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cc1C ZINC001571133952 952583912 /nfs/dbraw/zinc/58/39/12/952583912.db2.gz AAHRBOICECSFHG-UKRRQHHQSA-N -1 1 378.440 1.528 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cc1C ZINC001571133952 952583917 /nfs/dbraw/zinc/58/39/17/952583917.db2.gz AAHRBOICECSFHG-UKRRQHHQSA-N -1 1 378.440 1.528 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)[C@H](C)C2)cc1 ZINC001571134050 952585168 /nfs/dbraw/zinc/58/51/68/952585168.db2.gz COQMVEJNOGZENT-UKRRQHHQSA-N -1 1 378.440 1.752 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)[C@H](C)C2)cc1 ZINC001571134050 952585169 /nfs/dbraw/zinc/58/51/69/952585169.db2.gz COQMVEJNOGZENT-UKRRQHHQSA-N -1 1 378.440 1.752 20 0 GDADMM Cc1cccc(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)[C@@H]2C)c1C ZINC001571134072 952585458 /nfs/dbraw/zinc/58/54/58/952585458.db2.gz DDOYGOZZDRWVLJ-HIFRSBDPSA-N -1 1 378.440 1.671 20 0 GDADMM Cc1cccc(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)[C@@H]2C)c1C ZINC001571134072 952585460 /nfs/dbraw/zinc/58/54/60/952585460.db2.gz DDOYGOZZDRWVLJ-HIFRSBDPSA-N -1 1 378.440 1.671 20 0 GDADMM CC1(C)CN(c2nccnc2-c2nnn[n-]2)C[C@H]1NC(=O)C1C=CC=CC=C1 ZINC001571134247 952587816 /nfs/dbraw/zinc/58/78/16/952587816.db2.gz DBDRCYQUEPYUDR-CQSZACIVSA-N -1 1 378.440 1.286 20 0 GDADMM CC1(C)CN(c2nccnc2-c2nn[n-]n2)C[C@H]1NC(=O)C1C=CC=CC=C1 ZINC001571134247 952587817 /nfs/dbraw/zinc/58/78/17/952587817.db2.gz DBDRCYQUEPYUDR-CQSZACIVSA-N -1 1 378.440 1.286 20 0 GDADMM Cc1ccc(C)c(C(=O)N2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C[C@@H]2C)c1 ZINC001571134259 952588266 /nfs/dbraw/zinc/58/82/66/952588266.db2.gz GPCMVOPBIWGVJF-KBPBESRZSA-N -1 1 378.440 1.989 20 0 GDADMM Cc1ccc(C)c(C(=O)N2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C[C@@H]2C)c1 ZINC001571134259 952588269 /nfs/dbraw/zinc/58/82/69/952588269.db2.gz GPCMVOPBIWGVJF-KBPBESRZSA-N -1 1 378.440 1.989 20 0 GDADMM CC(C)c1ccccc1C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571134629 952592714 /nfs/dbraw/zinc/59/27/14/952592714.db2.gz ISIUBCLHPCVJKL-JOCQHMNTSA-N -1 1 378.440 1.575 20 0 GDADMM CCc1nc(NC[C@H]2CCN(C(=O)c3ccccc3)C2)cc(-c2nnn[n-]2)n1 ZINC001571135416 952603210 /nfs/dbraw/zinc/60/32/10/952603210.db2.gz VPDSSQQZKUFRAG-CYBMUJFWSA-N -1 1 378.440 1.793 20 0 GDADMM CCc1nc(NC[C@H]2CCN(C(=O)c3ccccc3)C2)cc(-c2nn[n-]n2)n1 ZINC001571135416 952603212 /nfs/dbraw/zinc/60/32/12/952603212.db2.gz VPDSSQQZKUFRAG-CYBMUJFWSA-N -1 1 378.440 1.793 20 0 GDADMM CCCc1ccc(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001571135392 952603531 /nfs/dbraw/zinc/60/35/31/952603531.db2.gz VDOUXVYJLRURPM-HNNXBMFYSA-N -1 1 378.440 1.618 20 0 GDADMM CCCc1ccc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571135392 952603535 /nfs/dbraw/zinc/60/35/35/952603535.db2.gz VDOUXVYJLRURPM-HNNXBMFYSA-N -1 1 378.440 1.618 20 0 GDADMM O=C(Nc1ccnc(-c2nnn[n-]2)c1)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC001571136973 952617192 /nfs/dbraw/zinc/61/71/92/952617192.db2.gz YNFCHDKUMOHOIT-OAHLLOKOSA-N -1 1 378.396 1.357 20 0 GDADMM O=C(Nc1ccnc(-c2nn[n-]n2)c1)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC001571136973 952617195 /nfs/dbraw/zinc/61/71/95/952617195.db2.gz YNFCHDKUMOHOIT-OAHLLOKOSA-N -1 1 378.396 1.357 20 0 GDADMM O=C(NC[C@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1)c1cc[nH]c1 ZINC001571142268 952640289 /nfs/dbraw/zinc/64/02/89/952640289.db2.gz NVOYPQHVRNFMOF-MRVPVSSYSA-N -1 1 378.849 1.561 20 0 GDADMM O=C(NC[C@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1)c1cc[nH]c1 ZINC001571142268 952640293 /nfs/dbraw/zinc/64/02/93/952640293.db2.gz NVOYPQHVRNFMOF-MRVPVSSYSA-N -1 1 378.849 1.561 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](NC(=O)c3ccccn3)CC[C@H]2C)n1 ZINC001571147189 952658632 /nfs/dbraw/zinc/65/86/32/952658632.db2.gz IRBLQLYMQVREJJ-OLZOCXBDSA-N -1 1 379.428 1.147 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](NC(=O)c3ccccn3)CC[C@H]2C)n1 ZINC001571147189 952658637 /nfs/dbraw/zinc/65/86/37/952658637.db2.gz IRBLQLYMQVREJJ-OLZOCXBDSA-N -1 1 379.428 1.147 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1)c1cccnc1 ZINC001571147726 952663239 /nfs/dbraw/zinc/66/32/39/952663239.db2.gz PCFPCVHHUJRQDO-JSGCOSHPSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1)c1cccnc1 ZINC001571147726 952663243 /nfs/dbraw/zinc/66/32/43/952663243.db2.gz PCFPCVHHUJRQDO-JSGCOSHPSA-N -1 1 379.428 1.258 20 0 GDADMM CN(CC1CCN(C(=O)c2cccnc2)CC1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571148045 952665312 /nfs/dbraw/zinc/66/53/12/952665312.db2.gz UCBXVLMMVQBXND-UHFFFAOYSA-N -1 1 379.428 1.040 20 0 GDADMM CN(CC1CCN(C(=O)c2cccnc2)CC1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571148045 952665313 /nfs/dbraw/zinc/66/53/13/952665313.db2.gz UCBXVLMMVQBXND-UHFFFAOYSA-N -1 1 379.428 1.040 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccncc2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571148289 952666233 /nfs/dbraw/zinc/66/62/33/952666233.db2.gz YCFNZHYBFRWAPJ-GXTWGEPZSA-N -1 1 379.428 1.262 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccncc2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571148289 952666235 /nfs/dbraw/zinc/66/62/35/952666235.db2.gz YCFNZHYBFRWAPJ-GXTWGEPZSA-N -1 1 379.428 1.262 20 0 GDADMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCCCN1C(=O)c1ccccn1 ZINC001571148434 952667474 /nfs/dbraw/zinc/66/74/74/952667474.db2.gz ZMCGSCCERMWLJX-WFASDCNBSA-N -1 1 379.428 1.547 20 0 GDADMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCCCN1C(=O)c1ccccn1 ZINC001571148434 952667478 /nfs/dbraw/zinc/66/74/78/952667478.db2.gz ZMCGSCCERMWLJX-WFASDCNBSA-N -1 1 379.428 1.547 20 0 GDADMM CO[C@H](CS(=O)(=O)NCc1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC001571150679 952670718 /nfs/dbraw/zinc/67/07/18/952670718.db2.gz DXKHPBPRKRQFGL-CYBMUJFWSA-N -1 1 379.467 1.735 20 0 GDADMM NC(=O)C1CN(C(=O)Nc2ccc(Oc3ccnc(-c4nnn[n-]4)c3)cc2)C1 ZINC001571153674 952687131 /nfs/dbraw/zinc/68/71/31/952687131.db2.gz UCPYXCQEAVZORV-UHFFFAOYSA-N -1 1 380.368 1.003 20 0 GDADMM NC(=O)C1CN(C(=O)Nc2ccc(Oc3ccnc(-c4nn[n-]n4)c3)cc2)C1 ZINC001571153674 952687134 /nfs/dbraw/zinc/68/71/34/952687134.db2.gz UCPYXCQEAVZORV-UHFFFAOYSA-N -1 1 380.368 1.003 20 0 GDADMM Cn1nccc1C(=O)N1CC[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571153941 952688299 /nfs/dbraw/zinc/68/82/99/952688299.db2.gz WQNHEPFYLCUEPO-SSDOTTSWSA-N -1 1 379.837 1.037 20 0 GDADMM Cn1nccc1C(=O)N1CC[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571153941 952688302 /nfs/dbraw/zinc/68/83/02/952688302.db2.gz WQNHEPFYLCUEPO-SSDOTTSWSA-N -1 1 379.837 1.037 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001571155552 952698741 /nfs/dbraw/zinc/69/87/41/952698741.db2.gz WLQKQAYVZCQTDM-GHMZBOCLSA-N -1 1 380.403 1.375 20 0 GDADMM Cc1cnccc1C(=O)N1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1 ZINC001571156043 952700672 /nfs/dbraw/zinc/70/06/72/952700672.db2.gz BNJMMOXBLIJEEL-AWEZNQCLSA-N -1 1 379.428 1.323 20 0 GDADMM Cc1cnccc1C(=O)N1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C1 ZINC001571156043 952700675 /nfs/dbraw/zinc/70/06/75/952700675.db2.gz BNJMMOXBLIJEEL-AWEZNQCLSA-N -1 1 379.428 1.323 20 0 GDADMM Cc1cnc(C(=O)N(C)[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c(C)c1 ZINC001571156009 952701220 /nfs/dbraw/zinc/70/12/20/952701220.db2.gz ASSCYSMFWMHUSX-CYBMUJFWSA-N -1 1 379.428 1.019 20 0 GDADMM Cc1ccc(C(=O)NC[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)nc1C ZINC001571156748 952704528 /nfs/dbraw/zinc/70/45/28/952704528.db2.gz ITHPMIWNZSOGDS-JOCQHMNTSA-N -1 1 379.428 1.289 20 0 GDADMM Cc1ccc(C(=O)NC[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)nc1C ZINC001571156748 952704532 /nfs/dbraw/zinc/70/45/32/952704532.db2.gz ITHPMIWNZSOGDS-JOCQHMNTSA-N -1 1 379.428 1.289 20 0 GDADMM Cc1ccncc1C(=O)N1CC[C@H]([C@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571157148 952707057 /nfs/dbraw/zinc/70/70/57/952707057.db2.gz MXJVFNYCWOZPLM-STQMWFEESA-N -1 1 379.428 1.323 20 0 GDADMM Cc1ccncc1C(=O)N1CC[C@H]([C@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571157148 952707062 /nfs/dbraw/zinc/70/70/62/952707062.db2.gz MXJVFNYCWOZPLM-STQMWFEESA-N -1 1 379.428 1.323 20 0 GDADMM COc1cccc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H]2C)c1 ZINC001571158296 952711090 /nfs/dbraw/zinc/71/10/90/952711090.db2.gz GLHPVAVJPZFYPA-FZMZJTMJSA-N -1 1 380.412 1.380 20 0 GDADMM COc1cccc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H]2C)c1 ZINC001571158296 952711096 /nfs/dbraw/zinc/71/10/96/952711096.db2.gz GLHPVAVJPZFYPA-FZMZJTMJSA-N -1 1 380.412 1.380 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H]3[C@H]2CCCN3C(=O)c2ccco2)n1 ZINC001571158294 952711208 /nfs/dbraw/zinc/71/12/08/952711208.db2.gz GJCGCPHXLCQNTA-ZIAGYGMSSA-N -1 1 380.412 1.442 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H]3[C@H]2CCCN3C(=O)c2ccco2)n1 ZINC001571158294 952711212 /nfs/dbraw/zinc/71/12/12/952711212.db2.gz GJCGCPHXLCQNTA-ZIAGYGMSSA-N -1 1 380.412 1.442 20 0 GDADMM COc1ccc(C(=O)N2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C[C@H]2C)cc1 ZINC001571158300 952711736 /nfs/dbraw/zinc/71/17/36/952711736.db2.gz GLKDDXFROLROHG-DGCLKSJQSA-N -1 1 380.412 1.380 20 0 GDADMM COc1ccc(C(=O)N2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C[C@H]2C)cc1 ZINC001571158300 952711741 /nfs/dbraw/zinc/71/17/41/952711741.db2.gz GLKDDXFROLROHG-DGCLKSJQSA-N -1 1 380.412 1.380 20 0 GDADMM Cc1cc(C)c(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)c(C)n1 ZINC001571158927 952716412 /nfs/dbraw/zinc/71/64/12/952716412.db2.gz ULWRHHQTHLTFMC-CYBMUJFWSA-N -1 1 379.428 1.304 20 0 GDADMM Cc1cc(C)c(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)c(C)n1 ZINC001571158927 952716415 /nfs/dbraw/zinc/71/64/15/952716415.db2.gz ULWRHHQTHLTFMC-CYBMUJFWSA-N -1 1 379.428 1.304 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H]3[C@@H](CCN3c3ccnc(-c4nn[n-]n4)n3)C2)co1 ZINC001571159487 952719584 /nfs/dbraw/zinc/71/95/84/952719584.db2.gz WGXRGNFLGLVPCY-GXTWGEPZSA-N -1 1 380.412 1.299 20 0 GDADMM Cc1cccnc1C(=O)N[C@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571159780 952721921 /nfs/dbraw/zinc/72/19/21/952721921.db2.gz WONAPCHWADWWKA-STQMWFEESA-N -1 1 379.428 1.371 20 0 GDADMM Cc1cccnc1C(=O)N[C@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571159780 952721926 /nfs/dbraw/zinc/72/19/26/952721926.db2.gz WONAPCHWADWWKA-STQMWFEESA-N -1 1 379.428 1.371 20 0 GDADMM O=C(N[C@@H]1CC[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1)c1ccoc1 ZINC001571160103 952723921 /nfs/dbraw/zinc/72/39/21/952723921.db2.gz DQQFOFNIAGGQCD-MRVWCRGKSA-N -1 1 380.412 1.285 20 0 GDADMM O=C(N[C@@H]1CC[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1)c1ccoc1 ZINC001571160103 952723923 /nfs/dbraw/zinc/72/39/23/952723923.db2.gz DQQFOFNIAGGQCD-MRVWCRGKSA-N -1 1 380.412 1.285 20 0 GDADMM C[C@@H]1CN(C(=O)c2conc2C2CC2)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571169992 952781715 /nfs/dbraw/zinc/78/17/15/952781715.db2.gz BXCIREXRHPQIAN-BXKDBHETSA-N -1 1 381.400 1.095 20 0 GDADMM C[C@@H]1CN(C(=O)c2conc2C2CC2)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571169992 952781718 /nfs/dbraw/zinc/78/17/18/952781718.db2.gz BXCIREXRHPQIAN-BXKDBHETSA-N -1 1 381.400 1.095 20 0 GDADMM C[C@]12CN(C(=O)[C@]34C[C@H]3CCC4)C[C@H]1CN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001571170069 952782835 /nfs/dbraw/zinc/78/28/35/952782835.db2.gz SAPVBOYIDJQSPV-UDORUHSDSA-N -1 1 380.456 1.132 20 0 GDADMM C[C@]12CN(C(=O)[C@]34C[C@H]3CCC4)C[C@H]1CN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001571170069 952782837 /nfs/dbraw/zinc/78/28/37/952782837.db2.gz SAPVBOYIDJQSPV-UDORUHSDSA-N -1 1 380.456 1.132 20 0 GDADMM C[C@@H]1CN(C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571170463 952785896 /nfs/dbraw/zinc/78/58/96/952785896.db2.gz VEKMRVLCNVLMLZ-NIDFBQPUSA-N -1 1 380.456 1.208 20 0 GDADMM C[C@@H]1CN(C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571170463 952785898 /nfs/dbraw/zinc/78/58/98/952785898.db2.gz VEKMRVLCNVLMLZ-NIDFBQPUSA-N -1 1 380.456 1.208 20 0 GDADMM COC(=O)C[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001571171613 952794527 /nfs/dbraw/zinc/79/45/27/952794527.db2.gz UCAXDPZWQZJLRB-CYBMUJFWSA-N -1 1 381.396 1.558 20 0 GDADMM COC(=O)C[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001571171613 952794532 /nfs/dbraw/zinc/79/45/32/952794532.db2.gz UCAXDPZWQZJLRB-CYBMUJFWSA-N -1 1 381.396 1.558 20 0 GDADMM C[C@H]1CN(C(=O)c2cnoc2C2CC2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571171601 952794696 /nfs/dbraw/zinc/79/46/96/952794696.db2.gz SYKJQEARQVHVSN-ZANVPECISA-N -1 1 381.400 1.095 20 0 GDADMM C[C@H]1CN(C(=O)c2cnoc2C2CC2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571171601 952794699 /nfs/dbraw/zinc/79/46/99/952794699.db2.gz SYKJQEARQVHVSN-ZANVPECISA-N -1 1 381.400 1.095 20 0 GDADMM O=C(NCC1CC(Nc2snc(Cl)c2-c2nnn[n-]2)C1)c1cocn1 ZINC001571172028 952799853 /nfs/dbraw/zinc/79/98/53/952799853.db2.gz KTKONWNKQMVLGE-UHFFFAOYSA-N -1 1 380.821 1.585 20 0 GDADMM O=C(NCC1CC(Nc2snc(Cl)c2-c2nn[n-]n2)C1)c1cocn1 ZINC001571172028 952799855 /nfs/dbraw/zinc/79/98/55/952799855.db2.gz KTKONWNKQMVLGE-UHFFFAOYSA-N -1 1 380.821 1.585 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C12CCC2)C1CC2(CC2)C1 ZINC001571171982 952800718 /nfs/dbraw/zinc/80/07/18/952800718.db2.gz KCXWQKOPGIWSSB-KGLIPLIRSA-N -1 1 380.456 1.686 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C12CCC2)C1CC2(CC2)C1 ZINC001571171982 952800729 /nfs/dbraw/zinc/80/07/29/952800729.db2.gz KCXWQKOPGIWSSB-KGLIPLIRSA-N -1 1 380.456 1.686 20 0 GDADMM O=C(N[C@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nn1)CC2)[C@]12C[C@H]1CCC2 ZINC001571172193 952802544 /nfs/dbraw/zinc/80/25/44/952802544.db2.gz OWLKCAFMPBUJBQ-SPKLELGKSA-N -1 1 380.456 1.322 20 0 GDADMM O=C(N[C@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nn1)CC2)[C@]12C[C@H]1CCC2 ZINC001571172193 952802550 /nfs/dbraw/zinc/80/25/50/952802550.db2.gz OWLKCAFMPBUJBQ-SPKLELGKSA-N -1 1 380.456 1.322 20 0 GDADMM O=C(NC1CC2(C1)CC(Nc1nccnc1-c1nnn[n-]1)C2)[C@H]1C[C@H]2C[C@H]2C1 ZINC001571172208 952803747 /nfs/dbraw/zinc/80/37/47/952803747.db2.gz PDEFGWGNVMTNAR-LRRWUSKPSA-N -1 1 380.456 1.542 20 0 GDADMM O=C(NC1CC2(C1)CC(Nc1nccnc1-c1nn[n-]n1)C2)[C@H]1C[C@H]2C[C@H]2C1 ZINC001571172208 952803750 /nfs/dbraw/zinc/80/37/50/952803750.db2.gz PDEFGWGNVMTNAR-LRRWUSKPSA-N -1 1 380.456 1.542 20 0 GDADMM O=C(N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)C1(C2CCC2)CCC1 ZINC001571172352 952805359 /nfs/dbraw/zinc/80/53/59/952805359.db2.gz TUJABFYMNPPCRF-VIKVFOODSA-N -1 1 380.456 1.178 20 0 GDADMM O=C(N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)C1(C2CCC2)CCC1 ZINC001571172352 952805365 /nfs/dbraw/zinc/80/53/65/952805365.db2.gz TUJABFYMNPPCRF-VIKVFOODSA-N -1 1 380.456 1.178 20 0 GDADMM O=C(NC[C@]12CCC[C@H]1N(c1nccnc1-c1nnn[n-]1)CC2)C1=CCCC1 ZINC001571172400 952806849 /nfs/dbraw/zinc/80/68/49/952806849.db2.gz VABQWUKMRHZLDU-AUUYWEPGSA-N -1 1 380.456 1.632 20 0 GDADMM O=C(NC[C@]12CCC[C@H]1N(c1nccnc1-c1nn[n-]n1)CC2)C1=CCCC1 ZINC001571172400 952806855 /nfs/dbraw/zinc/80/68/55/952806855.db2.gz VABQWUKMRHZLDU-AUUYWEPGSA-N -1 1 380.456 1.632 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2C[C@H](Nc3nccnc3-c3nnn[n-]3)C23CCC3)no1 ZINC001571175556 952822022 /nfs/dbraw/zinc/82/20/22/952822022.db2.gz UULDHNKGKMGKFW-NWDGAFQWSA-N -1 1 381.400 1.106 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2C[C@H](Nc3nccnc3-c3nn[n-]n3)C23CCC3)no1 ZINC001571175556 952822027 /nfs/dbraw/zinc/82/20/27/952822027.db2.gz UULDHNKGKMGKFW-NWDGAFQWSA-N -1 1 381.400 1.106 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cc(C2CC2)no1 ZINC001571175718 952825172 /nfs/dbraw/zinc/82/51/72/952825172.db2.gz FZTLUCWUGYYWEM-JGZJWPJOSA-N -1 1 381.400 1.143 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cc(C2CC2)no1 ZINC001571175718 952825179 /nfs/dbraw/zinc/82/51/79/952825179.db2.gz FZTLUCWUGYYWEM-JGZJWPJOSA-N -1 1 381.400 1.143 20 0 GDADMM O=C(c1cnoc1C1CC1)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571178604 952842904 /nfs/dbraw/zinc/84/29/04/952842904.db2.gz OPFPPOJHLIIQSN-NSHDSACASA-N -1 1 381.400 1.239 20 0 GDADMM O=C(c1cnoc1C1CC1)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571178604 952842911 /nfs/dbraw/zinc/84/29/11/952842911.db2.gz OPFPPOJHLIIQSN-NSHDSACASA-N -1 1 381.400 1.239 20 0 GDADMM Cc1cc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)c(C)n1[C@@H]1CCCOC1 ZINC001571179497 952853905 /nfs/dbraw/zinc/85/39/05/952853905.db2.gz FEWLEUGEJMCVKA-OAHLLOKOSA-N -1 1 381.440 1.962 20 0 GDADMM Cc1cc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)c(C)n1[C@@H]1CCCOC1 ZINC001571179497 952853910 /nfs/dbraw/zinc/85/39/10/952853910.db2.gz FEWLEUGEJMCVKA-OAHLLOKOSA-N -1 1 381.440 1.962 20 0 GDADMM CCCc1[nH]ccc1C(=O)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571183636 952881210 /nfs/dbraw/zinc/88/12/10/952881210.db2.gz GNFQXJXWMOUBOR-GFCCVEGCSA-N -1 1 381.444 1.654 20 0 GDADMM CCCc1[nH]ccc1C(=O)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571183636 952881211 /nfs/dbraw/zinc/88/12/11/952881211.db2.gz GNFQXJXWMOUBOR-GFCCVEGCSA-N -1 1 381.444 1.654 20 0 GDADMM CCCc1[nH]ccc1C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571183990 952885863 /nfs/dbraw/zinc/88/58/63/952885863.db2.gz OFTSBDPSJSEQKO-GFCCVEGCSA-N -1 1 381.444 1.336 20 0 GDADMM CCCc1[nH]ccc1C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571183990 952885868 /nfs/dbraw/zinc/88/58/68/952885868.db2.gz OFTSBDPSJSEQKO-GFCCVEGCSA-N -1 1 381.444 1.336 20 0 GDADMM CC[C@H]1CN(C(=O)c2cc[nH]c2C)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571184021 952886675 /nfs/dbraw/zinc/88/66/75/952886675.db2.gz OOQWVJSHZHZYAM-GXTWGEPZSA-N -1 1 381.444 1.068 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccn(C)c2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571184455 952893681 /nfs/dbraw/zinc/89/36/81/952893681.db2.gz ZOWQFBCKRZPFLW-JSGCOSHPSA-N -1 1 381.444 1.206 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccn(C)c2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571184455 952893689 /nfs/dbraw/zinc/89/36/89/952893689.db2.gz ZOWQFBCKRZPFLW-JSGCOSHPSA-N -1 1 381.444 1.206 20 0 GDADMM Cc1c(C(=O)N2CCCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)ccn1C ZINC001571185304 952901244 /nfs/dbraw/zinc/90/12/44/952901244.db2.gz KMGBSVNBYTWGOJ-CYBMUJFWSA-N -1 1 381.444 1.410 20 0 GDADMM Cc1c(C(=O)N2CCCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)ccn1C ZINC001571185304 952901247 /nfs/dbraw/zinc/90/12/47/952901247.db2.gz KMGBSVNBYTWGOJ-CYBMUJFWSA-N -1 1 381.444 1.410 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCCN(C(=O)[C@@H](C)n3cccc3)C2)n1 ZINC001571186281 952906482 /nfs/dbraw/zinc/90/64/82/952906482.db2.gz VKPOXNHBMBJJNO-KGLIPLIRSA-N -1 1 381.444 1.431 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCCN(C(=O)[C@@H](C)n3cccc3)C2)n1 ZINC001571186281 952906485 /nfs/dbraw/zinc/90/64/85/952906485.db2.gz VKPOXNHBMBJJNO-KGLIPLIRSA-N -1 1 381.444 1.431 20 0 GDADMM Cc1c(C(=O)N2C[C@H](Nc3nccnc3-c3nnn[n-]3)C(C)(C)C2)ccn1C ZINC001571186291 952906526 /nfs/dbraw/zinc/90/65/26/952906526.db2.gz VMMGGZOSXRWTDM-ZDUSSCGKSA-N -1 1 381.444 1.266 20 0 GDADMM Cc1c(C(=O)N2C[C@H](Nc3nccnc3-c3nn[n-]n3)C(C)(C)C2)ccn1C ZINC001571186291 952906528 /nfs/dbraw/zinc/90/65/28/952906528.db2.gz VMMGGZOSXRWTDM-ZDUSSCGKSA-N -1 1 381.444 1.266 20 0 GDADMM Cc1[nH]ccc1C(=O)N[C@@H]1CCCC[C@H]1Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001571186295 952907037 /nfs/dbraw/zinc/90/70/37/952907037.db2.gz VUKUJJJMZHMDOW-ZIAGYGMSSA-N -1 1 381.444 1.755 20 0 GDADMM Cc1[nH]ccc1C(=O)N[C@@H]1CCCC[C@H]1Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001571186295 952907044 /nfs/dbraw/zinc/90/70/44/952907044.db2.gz VUKUJJJMZHMDOW-ZIAGYGMSSA-N -1 1 381.444 1.755 20 0 GDADMM Cc1ccn(C)c1C(=O)N1CCC(CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001571189495 952929389 /nfs/dbraw/zinc/92/93/89/952929389.db2.gz WALMDZKCOOOJMO-UHFFFAOYSA-N -1 1 381.444 1.268 20 0 GDADMM Cc1ccn(C)c1C(=O)N1CCC(CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001571189495 952929391 /nfs/dbraw/zinc/92/93/91/952929391.db2.gz WALMDZKCOOOJMO-UHFFFAOYSA-N -1 1 381.444 1.268 20 0 GDADMM Cc1cc[nH]c1C(=O)NC[C@@H]1CCCCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571189503 952930787 /nfs/dbraw/zinc/93/07/87/952930787.db2.gz WGWMJPCKXKZAGF-ZDUSSCGKSA-N -1 1 381.444 1.472 20 0 GDADMM Cc1cc[nH]c1C(=O)NC[C@@H]1CCCCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571189503 952930790 /nfs/dbraw/zinc/93/07/90/952930790.db2.gz WGWMJPCKXKZAGF-ZDUSSCGKSA-N -1 1 381.444 1.472 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2ccccc2F)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571195503 952976592 /nfs/dbraw/zinc/97/65/92/952976592.db2.gz ARJTURHMVQSNHT-SMDDNHRTSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2ccccc2F)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571195503 952976595 /nfs/dbraw/zinc/97/65/95/952976595.db2.gz ARJTURHMVQSNHT-SMDDNHRTSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@H](C(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)c1cccc(F)c1 ZINC001571196354 952981195 /nfs/dbraw/zinc/98/11/95/952981195.db2.gz JFOJPKGDSQCRAL-LBPRGKRZSA-N -1 1 382.403 1.248 20 0 GDADMM C[C@H](C(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)c1cccc(F)c1 ZINC001571196354 952981201 /nfs/dbraw/zinc/98/12/01/952981201.db2.gz JFOJPKGDSQCRAL-LBPRGKRZSA-N -1 1 382.403 1.248 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)c3ccccc3F)[C@@H]2C)n1 ZINC001571196700 952982676 /nfs/dbraw/zinc/98/26/76/952982676.db2.gz MMEQUGJFPATRGH-RISCZKNCSA-N -1 1 382.403 1.819 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)c3ccccc3F)[C@@H]2C)n1 ZINC001571196700 952982689 /nfs/dbraw/zinc/98/26/89/952982689.db2.gz MMEQUGJFPATRGH-RISCZKNCSA-N -1 1 382.403 1.819 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@@H](N(C)c3nccnc3-c3nnn[n-]3)C2)c1F ZINC001571196909 952984754 /nfs/dbraw/zinc/98/47/54/952984754.db2.gz PQVJYAWZVFVNMZ-GFCCVEGCSA-N -1 1 382.403 1.455 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@@H](N(C)c3nccnc3-c3nn[n-]n3)C2)c1F ZINC001571196909 952984757 /nfs/dbraw/zinc/98/47/57/952984757.db2.gz PQVJYAWZVFVNMZ-GFCCVEGCSA-N -1 1 382.403 1.455 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cccc(F)c1 ZINC001571197365 952989956 /nfs/dbraw/zinc/98/99/56/952989956.db2.gz XWTATZMRKIBUOV-SMDDNHRTSA-N -1 1 382.403 1.612 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cccc(F)c1 ZINC001571197365 952989967 /nfs/dbraw/zinc/98/99/67/952989967.db2.gz XWTATZMRKIBUOV-SMDDNHRTSA-N -1 1 382.403 1.612 20 0 GDADMM Cc1cccc(F)c1C(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571197391 952990228 /nfs/dbraw/zinc/99/02/28/952990228.db2.gz YYJRXNBLUPUJAZ-GFCCVEGCSA-N -1 1 382.403 1.455 20 0 GDADMM CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571197381 952990243 /nfs/dbraw/zinc/99/02/43/952990243.db2.gz YNKPTMGDGUNETQ-GOEBONIOSA-N -1 1 382.403 1.531 20 0 GDADMM CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571197381 952990247 /nfs/dbraw/zinc/99/02/47/952990247.db2.gz YNKPTMGDGUNETQ-GOEBONIOSA-N -1 1 382.403 1.531 20 0 GDADMM CCN(C(=O)c1cc(C)co1)[C@@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571198898 952993926 /nfs/dbraw/zinc/99/39/26/952993926.db2.gz HVTCATGQIKOMBR-CYBMUJFWSA-N -1 1 382.428 1.608 20 0 GDADMM CCN(C(=O)c1cc(C)co1)[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571198898 952993928 /nfs/dbraw/zinc/99/39/28/952993928.db2.gz HVTCATGQIKOMBR-CYBMUJFWSA-N -1 1 382.428 1.608 20 0 GDADMM CCc1nc(N[C@H]2CCCN(C(=O)c3ccoc3C)C2)cc(-c2nnn[n-]2)n1 ZINC001571199581 953001899 /nfs/dbraw/zinc/00/18/99/953001899.db2.gz VWXVAKNCWIAHJM-LBPRGKRZSA-N -1 1 382.428 1.837 20 0 GDADMM CCc1nc(N[C@H]2CCCN(C(=O)c3ccoc3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571199581 953001901 /nfs/dbraw/zinc/00/19/01/953001901.db2.gz VWXVAKNCWIAHJM-LBPRGKRZSA-N -1 1 382.428 1.837 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccco1 ZINC001571199954 953005312 /nfs/dbraw/zinc/00/53/12/953005312.db2.gz FAMKGDDASDCJTE-CHWSQXEVSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccco1 ZINC001571199954 953005319 /nfs/dbraw/zinc/00/53/19/953005319.db2.gz FAMKGDDASDCJTE-CHWSQXEVSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@H](C(=O)N1CC[C@@](C)(CNc2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001571200320 953008971 /nfs/dbraw/zinc/00/89/71/953008971.db2.gz HSHIVUXPJVBUMN-SGTLLEGYSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@H](C(=O)N1CC[C@@](C)(CNc2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001571200320 953008977 /nfs/dbraw/zinc/00/89/77/953008977.db2.gz HSHIVUXPJVBUMN-SGTLLEGYSA-N -1 1 382.428 1.704 20 0 GDADMM Cc1ccoc1CC(=O)N1C[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001571200844 953012782 /nfs/dbraw/zinc/01/27/82/953012782.db2.gz GRWBRAMYKOUMGE-CHWSQXEVSA-N -1 1 382.428 1.511 20 0 GDADMM Cc1ccoc1CC(=O)N1C[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001571200844 953012787 /nfs/dbraw/zinc/01/27/87/953012787.db2.gz GRWBRAMYKOUMGE-CHWSQXEVSA-N -1 1 382.428 1.511 20 0 GDADMM Cc1cocc1C(=O)NC[C@H]1CCCCN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001571200871 953012850 /nfs/dbraw/zinc/01/28/50/953012850.db2.gz HCWFXKRYRFOIPQ-CYBMUJFWSA-N -1 1 382.428 1.655 20 0 GDADMM Cc1cocc1C(=O)NC[C@H]1CCCCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001571200871 953012854 /nfs/dbraw/zinc/01/28/54/953012854.db2.gz HCWFXKRYRFOIPQ-CYBMUJFWSA-N -1 1 382.428 1.655 20 0 GDADMM Cc1ccoc1C(=O)N1CCCC[C@@H]1[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571200888 953013277 /nfs/dbraw/zinc/01/32/77/953013277.db2.gz HNLVFHWTWPUEEU-QWHCGFSZSA-N -1 1 382.428 1.475 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CC[C@@H](C)N(c3ccc(-c4nnn[n-]4)nn3)C2)c(C)o1 ZINC001571200885 953013287 /nfs/dbraw/zinc/01/32/87/953013287.db2.gz HLELVKVGDATTOC-ZWNOBZJWSA-N -1 1 382.428 1.654 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CC[C@@H](C)N(c3ccc(-c4nn[n-]n4)nn3)C2)c(C)o1 ZINC001571200885 953013290 /nfs/dbraw/zinc/01/32/90/953013290.db2.gz HLELVKVGDATTOC-ZWNOBZJWSA-N -1 1 382.428 1.654 20 0 GDADMM Cc1ccoc1C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)CC1(C)C ZINC001571201047 953014432 /nfs/dbraw/zinc/01/44/32/953014432.db2.gz IVRDRWDDAQALES-LBPRGKRZSA-N -1 1 382.428 1.593 20 0 GDADMM Cc1ccoc1C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)CC1(C)C ZINC001571201047 953014438 /nfs/dbraw/zinc/01/44/38/953014438.db2.gz IVRDRWDDAQALES-LBPRGKRZSA-N -1 1 382.428 1.593 20 0 GDADMM Cc1ccc(C(=O)N2C[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C(C)(C)C2)o1 ZINC001571201302 953016864 /nfs/dbraw/zinc/01/68/64/953016864.db2.gz JUUDYSDTTKMHMP-AWEZNQCLSA-N -1 1 382.428 1.829 20 0 GDADMM Cc1ccc(C(=O)N2C[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C(C)(C)C2)o1 ZINC001571201302 953016868 /nfs/dbraw/zinc/01/68/68/953016868.db2.gz JUUDYSDTTKMHMP-AWEZNQCLSA-N -1 1 382.428 1.829 20 0 GDADMM C[C@@H]1CCCN(C(=O)Cc2ccoc2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571201942 953021624 /nfs/dbraw/zinc/02/16/24/953021624.db2.gz UCNYRLNZHHRIJM-DOMZBBRYSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@@H]1CCCN(C(=O)Cc2ccoc2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571201942 953021629 /nfs/dbraw/zinc/02/16/29/953021629.db2.gz UCNYRLNZHHRIJM-DOMZBBRYSA-N -1 1 382.428 1.531 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@@H](N(C)c3nccnc3-c3nnn[n-]3)C2)oc1C ZINC001571202118 953023463 /nfs/dbraw/zinc/02/34/63/953023463.db2.gz RCWHCQXRGPWBNL-CYBMUJFWSA-N -1 1 382.428 1.608 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@@H](N(C)c3nccnc3-c3nn[n-]n3)C2)oc1C ZINC001571202118 953023468 /nfs/dbraw/zinc/02/34/68/953023468.db2.gz RCWHCQXRGPWBNL-CYBMUJFWSA-N -1 1 382.428 1.608 20 0 GDADMM Cc1coc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2(C)C)c1 ZINC001571202622 953027558 /nfs/dbraw/zinc/02/75/58/953027558.db2.gz WFLDCZIDOKHCAD-CQSZACIVSA-N -1 1 382.428 1.593 20 0 GDADMM Cc1coc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2(C)C)c1 ZINC001571202622 953027563 /nfs/dbraw/zinc/02/75/63/953027563.db2.gz WFLDCZIDOKHCAD-CQSZACIVSA-N -1 1 382.428 1.593 20 0 GDADMM Cc1coc(C)c1C(=O)N[C@@H]1CC[C@H](C)N(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571202795 953028840 /nfs/dbraw/zinc/02/88/40/953028840.db2.gz YUTHCRFPLZSRMC-WCQYABFASA-N -1 1 382.428 1.654 20 0 GDADMM Cc1coc(C)c1C(=O)N[C@@H]1CC[C@H](C)N(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571202795 953028845 /nfs/dbraw/zinc/02/88/45/953028845.db2.gz YUTHCRFPLZSRMC-WCQYABFASA-N -1 1 382.428 1.654 20 0 GDADMM CC(C)n1nccc1C(=O)N1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001571205182 953036277 /nfs/dbraw/zinc/03/62/77/953036277.db2.gz HARCZHSIGSUJIH-NEPJUHHUSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1nccc1C(=O)N1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001571205182 953036281 /nfs/dbraw/zinc/03/62/81/953036281.db2.gz HARCZHSIGSUJIH-NEPJUHHUSA-N -1 1 382.432 1.149 20 0 GDADMM Cc1occc1C(=O)N1CCC[C@@H](C)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571206205 953048262 /nfs/dbraw/zinc/04/82/62/953048262.db2.gz NAMQNLVOLBNOIW-ABAIWWIYSA-N -1 1 382.428 1.911 20 0 GDADMM Cc1occc1C(=O)N1CCC[C@@H](C)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571206205 953048263 /nfs/dbraw/zinc/04/82/63/953048263.db2.gz NAMQNLVOLBNOIW-ABAIWWIYSA-N -1 1 382.428 1.911 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@]3(CCN(C(=O)[C@@H]4C[C@H]4C)C3)C2)n1 ZINC001571211577 953078299 /nfs/dbraw/zinc/07/82/99/953078299.db2.gz BYWXCPPUAXRIDN-VLXJIEOASA-N -1 1 382.472 1.304 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@]3(CCN(C(=O)[C@@H]4C[C@H]4C)C3)C2)n1 ZINC001571211577 953078300 /nfs/dbraw/zinc/07/83/00/953078300.db2.gz BYWXCPPUAXRIDN-VLXJIEOASA-N -1 1 382.472 1.304 20 0 GDADMM CN(c1nccnc1-c1nnn[n-]1)[C@@H]1CCCN(C(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001571211600 953078323 /nfs/dbraw/zinc/07/83/23/953078323.db2.gz CPTOZSPEBVLHKA-KSMMKXTCSA-N -1 1 382.472 1.664 20 0 GDADMM CN(c1nccnc1-c1nn[n-]n1)[C@@H]1CCCN(C(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001571211600 953078324 /nfs/dbraw/zinc/07/83/24/953078324.db2.gz CPTOZSPEBVLHKA-KSMMKXTCSA-N -1 1 382.472 1.664 20 0 GDADMM CC1(CC(=O)N2C[C@@]3(C)CN(c4cnc(-c5nnn[n-]5)cn4)C[C@@]3(C)C2)CC1 ZINC001571211738 953080487 /nfs/dbraw/zinc/08/04/87/953080487.db2.gz DSPJDKGLCPXMMK-KDURUIRLSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(CC(=O)N2C[C@@]3(C)CN(c4cnc(-c5nn[n-]n5)cn4)C[C@@]3(C)C2)CC1 ZINC001571211738 953080493 /nfs/dbraw/zinc/08/04/93/953080493.db2.gz DSPJDKGLCPXMMK-KDURUIRLSA-N -1 1 382.472 1.522 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H]3CN(C(=O)CCC4CC4)C[C@@H]3C2)n1 ZINC001571211774 953080585 /nfs/dbraw/zinc/08/05/85/953080585.db2.gz GFYWCJJJIGTGOR-OKILXGFUSA-N -1 1 382.472 1.304 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H]3CN(C(=O)CCC4CC4)C[C@@H]3C2)n1 ZINC001571211774 953080588 /nfs/dbraw/zinc/08/05/88/953080588.db2.gz GFYWCJJJIGTGOR-OKILXGFUSA-N -1 1 382.472 1.304 20 0 GDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCCN(C(=O)C2(C3CC3)CC2)C1 ZINC001571212048 953082304 /nfs/dbraw/zinc/08/23/04/953082304.db2.gz HXPSBHCWQGJJGU-CHWSQXEVSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCCN(C(=O)C2(C3CC3)CC2)C1 ZINC001571212048 953082310 /nfs/dbraw/zinc/08/23/10/953082310.db2.gz HXPSBHCWQGJJGU-CHWSQXEVSA-N -1 1 382.472 1.886 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@H](NC(=O)C3CCCC3)C23CCC3)n1 ZINC001571212044 953082620 /nfs/dbraw/zinc/08/26/20/953082620.db2.gz HUZJLJCKNOTPPQ-GJZGRUSLSA-N -1 1 382.472 1.995 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@H](NC(=O)C3CCCC3)C23CCC3)n1 ZINC001571212044 953082624 /nfs/dbraw/zinc/08/26/24/953082624.db2.gz HUZJLJCKNOTPPQ-GJZGRUSLSA-N -1 1 382.472 1.995 20 0 GDADMM Cc1ncc(C(=O)N[C@@H]2CCCC[C@H]2CNc2cnc(-c3nn[n-]n3)cn2)[nH]1 ZINC001571212167 953084884 /nfs/dbraw/zinc/08/48/84/953084884.db2.gz KIJYQIAIXRGECQ-NWDGAFQWSA-N -1 1 382.432 1.089 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)[C@H]1CCCC12CC2)c1cncc(-c2nnn[n-]2)n1 ZINC001571212246 953086089 /nfs/dbraw/zinc/08/60/89/953086089.db2.gz JYWHJTIEAHKDRE-ZIAGYGMSSA-N -1 1 382.472 1.664 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)[C@H]1CCCC12CC2)c1cncc(-c2nn[n-]n2)n1 ZINC001571212246 953086094 /nfs/dbraw/zinc/08/60/94/953086094.db2.gz JYWHJTIEAHKDRE-ZIAGYGMSSA-N -1 1 382.472 1.664 20 0 GDADMM CN(C(=O)[C@H]1CC2CCC1CC2)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571212595 953089638 /nfs/dbraw/zinc/08/96/38/953089638.db2.gz NKRIKEXQWQHBSH-CVSAEHQPSA-N -1 1 382.472 1.520 20 0 GDADMM CN(C(=O)[C@H]1CC2CCC1CC2)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571212595 953089640 /nfs/dbraw/zinc/08/96/40/953089640.db2.gz NKRIKEXQWQHBSH-CVSAEHQPSA-N -1 1 382.472 1.520 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)NC1CC2(C1)CC(Nc1ccc(-c3nnn[n-]3)nn1)C2 ZINC001571212531 953089683 /nfs/dbraw/zinc/08/96/83/953089683.db2.gz MWKOERBABVSXET-SBDXJAJFSA-N -1 1 382.472 1.788 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)NC1CC2(C1)CC(Nc1ccc(-c3nn[n-]n3)nn1)C2 ZINC001571212531 953089686 /nfs/dbraw/zinc/08/96/86/953089686.db2.gz MWKOERBABVSXET-SBDXJAJFSA-N -1 1 382.472 1.788 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)C3(C4CC4)CC3)C[C@H]2C)n1 ZINC001571212956 953091645 /nfs/dbraw/zinc/09/16/45/953091645.db2.gz OLGPKAIMZANULB-BXUZGUMPSA-N -1 1 382.472 1.804 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)C3(C4CC4)CC3)C[C@H]2C)n1 ZINC001571212956 953091650 /nfs/dbraw/zinc/09/16/50/953091650.db2.gz OLGPKAIMZANULB-BXUZGUMPSA-N -1 1 382.472 1.804 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CC(C1CC1)C1CC1 ZINC001571213246 953093640 /nfs/dbraw/zinc/09/36/40/953093640.db2.gz QBAMNRQQWLLDOD-NHYWBVRUSA-N -1 1 382.472 1.884 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CC(C1CC1)C1CC1 ZINC001571213246 953093644 /nfs/dbraw/zinc/09/36/44/953093644.db2.gz QBAMNRQQWLLDOD-NHYWBVRUSA-N -1 1 382.472 1.884 20 0 GDADMM CN(c1nccnc1-c1nnn[n-]1)C1CCN(C(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC001571214362 953101823 /nfs/dbraw/zinc/10/18/23/953101823.db2.gz XWHWDUXXFAHWSZ-YUELXQCFSA-N -1 1 382.472 1.520 20 0 GDADMM CN(c1nccnc1-c1nn[n-]n1)C1CCN(C(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC001571214362 953101827 /nfs/dbraw/zinc/10/18/27/953101827.db2.gz XWHWDUXXFAHWSZ-YUELXQCFSA-N -1 1 382.472 1.520 20 0 GDADMM Cc1cc(F)cc(-c2nn[n-]n2)c1S(=O)(=O)NCc1cc(Cl)ccn1 ZINC001571216856 953104567 /nfs/dbraw/zinc/10/45/67/953104567.db2.gz AXTCDUDYIVEFPA-UHFFFAOYSA-N -1 1 382.808 1.841 20 0 GDADMM O=C(N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001571216788 953104637 /nfs/dbraw/zinc/10/46/37/953104637.db2.gz AOTSVICXHRXLOG-BYNSBNAKSA-N -1 1 382.472 1.568 20 0 GDADMM O=C(N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001571216788 953104639 /nfs/dbraw/zinc/10/46/39/953104639.db2.gz AOTSVICXHRXLOG-BYNSBNAKSA-N -1 1 382.472 1.568 20 0 GDADMM O=C(N1CC[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1)C12CCC(CC1)C2 ZINC001571217645 953110203 /nfs/dbraw/zinc/11/02/03/953110203.db2.gz GRXHBORCUIEZBY-BIWSTMPVSA-N -1 1 382.472 1.309 20 0 GDADMM O=C(NC[C@H]1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)[C@@H]1CCCC12CC2 ZINC001571218101 953113073 /nfs/dbraw/zinc/11/30/73/953113073.db2.gz LVEWOQDOTLHECU-MJBXVCDLSA-N -1 1 382.472 1.934 20 0 GDADMM O=C(NC[C@H]1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)[C@@H]1CCCC12CC2 ZINC001571218101 953113076 /nfs/dbraw/zinc/11/30/76/953113076.db2.gz LVEWOQDOTLHECU-MJBXVCDLSA-N -1 1 382.472 1.934 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C(C1CC1)C1CC1 ZINC001571219062 953122808 /nfs/dbraw/zinc/12/28/08/953122808.db2.gz UDWYLDHTKQBSJT-CQSZACIVSA-N -1 1 382.472 1.568 20 0 GDADMM CCc1nc(C(=O)N2CC[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)[C@@H]2C)co1 ZINC001571222212 953132611 /nfs/dbraw/zinc/13/26/11/953132611.db2.gz FRKAOCGXUQZWPH-QWRGUYRKSA-N -1 1 383.416 1.231 20 0 GDADMM CCc1nc(C(=O)N2CC[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)[C@@H]2C)co1 ZINC001571222212 953132614 /nfs/dbraw/zinc/13/26/14/953132614.db2.gz FRKAOCGXUQZWPH-QWRGUYRKSA-N -1 1 383.416 1.231 20 0 GDADMM CCc1nc(NC2CC(CNC(=O)c3nocc3C)C2)cc(-c2nnn[n-]2)n1 ZINC001571222966 953140434 /nfs/dbraw/zinc/14/04/34/953140434.db2.gz OILMADMNPOOWOE-UHFFFAOYSA-N -1 1 383.416 1.136 20 0 GDADMM CCc1nc(NC2CC(CNC(=O)c3nocc3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571222966 953140435 /nfs/dbraw/zinc/14/04/35/953140435.db2.gz OILMADMNPOOWOE-UHFFFAOYSA-N -1 1 383.416 1.136 20 0 GDADMM CCc1nc(N[C@@H]2CCCN(C(=O)c3oncc3C)C2)cc(-c2nnn[n-]2)n1 ZINC001571223520 953144959 /nfs/dbraw/zinc/14/49/59/953144959.db2.gz TUJMBOJCISLMJO-LLVKDONJSA-N -1 1 383.416 1.232 20 0 GDADMM CCc1nc(N[C@@H]2CCCN(C(=O)c3oncc3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571223520 953144962 /nfs/dbraw/zinc/14/49/62/953144962.db2.gz TUJMBOJCISLMJO-LLVKDONJSA-N -1 1 383.416 1.232 20 0 GDADMM Cc1cc(CC(=O)N[C@@H]2CCC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)no1 ZINC001571224690 953150784 /nfs/dbraw/zinc/15/07/84/953150784.db2.gz CYZWAHGJMGPFGC-NWDGAFQWSA-N -1 1 383.416 1.035 20 0 GDADMM Cc1cc(CC(=O)N[C@@H]2CCC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)no1 ZINC001571224690 953150785 /nfs/dbraw/zinc/15/07/85/953150785.db2.gz CYZWAHGJMGPFGC-NWDGAFQWSA-N -1 1 383.416 1.035 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCC[C@H](NC(=O)Cc3cnoc3)C2)n1 ZINC001571225211 953151973 /nfs/dbraw/zinc/15/19/73/953151973.db2.gz IQFLWNKRLXWKAD-QWHCGFSZSA-N -1 1 383.416 1.035 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCC[C@H](NC(=O)Cc3cnoc3)C2)n1 ZINC001571225211 953151977 /nfs/dbraw/zinc/15/19/77/953151977.db2.gz IQFLWNKRLXWKAD-QWHCGFSZSA-N -1 1 383.416 1.035 20 0 GDADMM Cc1ncoc1C(=O)N1CCC[C@@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571225931 953154450 /nfs/dbraw/zinc/15/44/50/953154450.db2.gz OPCOIVLNTPIZKE-LBPRGKRZSA-N -1 1 383.416 1.308 20 0 GDADMM Cc1ncoc1C(=O)N1CCC[C@@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571225931 953154453 /nfs/dbraw/zinc/15/44/53/953154453.db2.gz OPCOIVLNTPIZKE-LBPRGKRZSA-N -1 1 383.416 1.308 20 0 GDADMM CC(=O)N1CC[C@H](C(F)(F)F)[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571234605 953203712 /nfs/dbraw/zinc/20/37/12/953203712.db2.gz CYMRBSCUAATLOL-QWRGUYRKSA-N -1 1 384.366 1.424 20 0 GDADMM CC(=O)N1CC[C@H](C(F)(F)F)[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571234605 953203713 /nfs/dbraw/zinc/20/37/13/953203713.db2.gz CYMRBSCUAATLOL-QWRGUYRKSA-N -1 1 384.366 1.424 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1)C(F)(F)F ZINC001571235090 953208771 /nfs/dbraw/zinc/20/87/71/953208771.db2.gz SGSDZKDEPBIEMQ-UWVGGRQHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1)C(F)(F)F ZINC001571235090 953208773 /nfs/dbraw/zinc/20/87/73/953208773.db2.gz SGSDZKDEPBIEMQ-UWVGGRQHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H]1CCN(C(=O)CC(F)(F)F)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571235159 953209486 /nfs/dbraw/zinc/20/94/86/953209486.db2.gz VGVNRSMKYLGLCZ-VHSXEESVSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@H]1CCN(C(=O)CC(F)(F)F)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571235159 953209489 /nfs/dbraw/zinc/20/94/89/953209489.db2.gz VGVNRSMKYLGLCZ-VHSXEESVSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001571235149 953209529 /nfs/dbraw/zinc/20/95/29/953209529.db2.gz VBEIAJFWHPIITO-UWVGGRQHSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001571235149 953209534 /nfs/dbraw/zinc/20/95/34/953209534.db2.gz VBEIAJFWHPIITO-UWVGGRQHSA-N -1 1 384.366 1.506 20 0 GDADMM COc1ccc([C@H](CCO)NC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)cc1 ZINC001571235700 953215446 /nfs/dbraw/zinc/21/54/46/953215446.db2.gz NXVOBIUYWLZAEU-AWEZNQCLSA-N -1 1 384.396 1.138 20 0 GDADMM CN(CC1CCN(C(=O)c2cccs2)CC1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571244551 953264826 /nfs/dbraw/zinc/26/48/26/953264826.db2.gz ANLKEAUTCXZDNU-UHFFFAOYSA-N -1 1 384.469 1.707 20 0 GDADMM CN(CC1CCN(C(=O)c2cccs2)CC1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571244551 953264829 /nfs/dbraw/zinc/26/48/29/953264829.db2.gz ANLKEAUTCXZDNU-UHFFFAOYSA-N -1 1 384.469 1.707 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)[C@@H]2C)c(C)s1 ZINC001571244777 953266409 /nfs/dbraw/zinc/26/64/09/953266409.db2.gz IAMNMJHBMAZFNB-MFKMUULPSA-N -1 1 384.469 1.732 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)[C@@H]2C)c(C)s1 ZINC001571244777 953266415 /nfs/dbraw/zinc/26/64/15/953266415.db2.gz IAMNMJHBMAZFNB-MFKMUULPSA-N -1 1 384.469 1.732 20 0 GDADMM Cc1nsc(N2CCCN(C(=O)c3ccncc3C)CC2)c1-c1nn[n-]n1 ZINC001571244802 953267395 /nfs/dbraw/zinc/26/73/95/953267395.db2.gz JHGPGKBTJGLVIQ-UHFFFAOYSA-N -1 1 384.469 1.688 20 0 GDADMM Cc1csc(C(=O)N[C@@H]2CC[C@H](C)N(c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571244917 953268296 /nfs/dbraw/zinc/26/82/96/953268296.db2.gz MATBWLFAZPYRLL-NWDGAFQWSA-N -1 1 384.469 1.814 20 0 GDADMM Cc1csc(C(=O)N[C@@H]2CC[C@H](C)N(c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571244917 953268298 /nfs/dbraw/zinc/26/82/98/953268298.db2.gz MATBWLFAZPYRLL-NWDGAFQWSA-N -1 1 384.469 1.814 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@]2(C)CCN(C(=O)c3ccsc3)C2)n1 ZINC001571245199 953271851 /nfs/dbraw/zinc/27/18/51/953271851.db2.gz PDPGJSKEYMNMHR-QGZVFWFLSA-N -1 1 384.469 1.991 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@]2(C)CCN(C(=O)c3ccsc3)C2)n1 ZINC001571245199 953271855 /nfs/dbraw/zinc/27/18/55/953271855.db2.gz PDPGJSKEYMNMHR-QGZVFWFLSA-N -1 1 384.469 1.991 20 0 GDADMM CCCc1ccc(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)s1 ZINC001571245294 953272573 /nfs/dbraw/zinc/27/25/73/953272573.db2.gz RJJBUAXBYQSGLA-NSHDSACASA-N -1 1 384.469 1.679 20 0 GDADMM CCCc1ccc(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)s1 ZINC001571245294 953272575 /nfs/dbraw/zinc/27/25/75/953272575.db2.gz RJJBUAXBYQSGLA-NSHDSACASA-N -1 1 384.469 1.679 20 0 GDADMM C[C@@H]1CN(C(=O)CCc2ccsc2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571245494 953273845 /nfs/dbraw/zinc/27/38/45/953273845.db2.gz SPLNIXMPBAXOMY-BXUZGUMPSA-N -1 1 384.469 1.610 20 0 GDADMM C[C@@H]1CN(C(=O)CCc2ccsc2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571245494 953273849 /nfs/dbraw/zinc/27/38/49/953273849.db2.gz SPLNIXMPBAXOMY-BXUZGUMPSA-N -1 1 384.469 1.610 20 0 GDADMM CCN(C(=O)c1ccc(C)s1)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571245637 953275064 /nfs/dbraw/zinc/27/50/64/953275064.db2.gz XSOKCYLDGMVYFY-LBPRGKRZSA-N -1 1 384.469 1.768 20 0 GDADMM CCN(C(=O)c1ccc(C)s1)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571245637 953275065 /nfs/dbraw/zinc/27/50/65/953275065.db2.gz XSOKCYLDGMVYFY-LBPRGKRZSA-N -1 1 384.469 1.768 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](NC(=O)c3cc(C)cs3)C2)n1 ZINC001571245603 953275475 /nfs/dbraw/zinc/27/54/75/953275475.db2.gz WLVAMKYFVBHUSI-LLVKDONJSA-N -1 1 384.469 1.598 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](NC(=O)c3cc(C)cs3)C2)n1 ZINC001571245603 953275476 /nfs/dbraw/zinc/27/54/76/953275476.db2.gz WLVAMKYFVBHUSI-LLVKDONJSA-N -1 1 384.469 1.598 20 0 GDADMM Cc1scc(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1C ZINC001571248132 953290106 /nfs/dbraw/zinc/29/01/06/953290106.db2.gz MFRLXKLJPQIABK-GFCCVEGCSA-N -1 1 384.469 1.734 20 0 GDADMM Cc1sccc1C(=O)N[C@@H]1CC[C@H](C)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571248358 953292530 /nfs/dbraw/zinc/29/25/30/953292530.db2.gz RPDZSURTGWIFQO-CMPLNLGQSA-N -1 1 384.469 1.814 20 0 GDADMM Cc1sccc1C(=O)N[C@@H]1CC[C@H](C)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571248358 953292532 /nfs/dbraw/zinc/29/25/32/953292532.db2.gz RPDZSURTGWIFQO-CMPLNLGQSA-N -1 1 384.469 1.814 20 0 GDADMM Cc1sccc1C(=O)N[C@H]1CC[C@@H](C)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571248360 953292636 /nfs/dbraw/zinc/29/26/36/953292636.db2.gz RPDZSURTGWIFQO-PWSUYJOCSA-N -1 1 384.469 1.814 20 0 GDADMM Cc1sccc1C(=O)N[C@H]1CC[C@@H](C)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571248360 953292641 /nfs/dbraw/zinc/29/26/41/953292641.db2.gz RPDZSURTGWIFQO-PWSUYJOCSA-N -1 1 384.469 1.814 20 0 GDADMM C[C@@H]1CC[C@H](CC(=O)N(C)C2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001571248999 953299650 /nfs/dbraw/zinc/29/96/50/953299650.db2.gz AOSFSPISGKGHHZ-KGLIPLIRSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CC[C@@H](NC(=O)C2C(C)(C)C2(C)C)CN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571249231 953302331 /nfs/dbraw/zinc/30/23/31/953302331.db2.gz GKBJKRMZJBMSIR-VXGBXAGGSA-N -1 1 384.488 1.812 20 0 GDADMM C[C@@H]1CC[C@@H](NC(=O)C2C(C)(C)C2(C)C)CN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571249231 953302333 /nfs/dbraw/zinc/30/23/33/953302333.db2.gz GKBJKRMZJBMSIR-VXGBXAGGSA-N -1 1 384.488 1.812 20 0 GDADMM CC1(C)CCC(C(=O)N2CC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571250792 953312672 /nfs/dbraw/zinc/31/26/72/953312672.db2.gz SJZMRGCMBBBTKO-ZDUSSCGKSA-N -1 1 384.488 1.555 20 0 GDADMM CCC(CC)C(=O)N1C[C@@]2(C)CN(c3cncc(-c4nnn[n-]4)n3)C[C@@]2(C)C1 ZINC001571250802 953313033 /nfs/dbraw/zinc/31/30/33/953313033.db2.gz SPGYIOXRPKSVEP-KDURUIRLSA-N -1 1 384.488 1.768 20 0 GDADMM CCC(CC)C(=O)N1C[C@@]2(C)CN(c3cncc(-c4nn[n-]n4)n3)C[C@@]2(C)C1 ZINC001571250802 953313037 /nfs/dbraw/zinc/31/30/37/953313037.db2.gz SPGYIOXRPKSVEP-KDURUIRLSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)C(C)(C)C ZINC001571251157 953316025 /nfs/dbraw/zinc/31/60/25/953316025.db2.gz WLVHLUHXQASCTP-MJBXVCDLSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)C(C)(C)C ZINC001571251157 953316030 /nfs/dbraw/zinc/31/60/30/953316030.db2.gz WLVHLUHXQASCTP-MJBXVCDLSA-N -1 1 384.488 1.909 20 0 GDADMM CC(C)CC(=O)N1CCCC[C@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571251444 953317397 /nfs/dbraw/zinc/31/73/97/953317397.db2.gz XODFEABQAGULPY-LJQANCHMSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)CC(=O)N1CCCC[C@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571251444 953317400 /nfs/dbraw/zinc/31/74/00/953317400.db2.gz XODFEABQAGULPY-LJQANCHMSA-N -1 1 384.488 1.912 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H]3CN(C(=O)C(C)(C)C)C[C@]3(C)C2)n1 ZINC001571252110 953324559 /nfs/dbraw/zinc/32/45/59/953324559.db2.gz HMQYYPJORVKJCQ-BLVKFPJESA-N -1 1 384.488 1.550 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H]3CN(C(=O)C(C)(C)C)C[C@]3(C)C2)n1 ZINC001571252110 953324563 /nfs/dbraw/zinc/32/45/63/953324563.db2.gz HMQYYPJORVKJCQ-BLVKFPJESA-N -1 1 384.488 1.550 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)CC2CC(C)(C)C2)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571252287 953326894 /nfs/dbraw/zinc/32/68/94/953326894.db2.gz JSZZLTIDFQPQIF-ZDUSSCGKSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1NC(=O)C1CCCCCCC1 ZINC001571252408 953327914 /nfs/dbraw/zinc/32/79/14/953327914.db2.gz MELXLKNNEDBLHZ-CZUORRHYSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)C1CCCCCCC1 ZINC001571252408 953327916 /nfs/dbraw/zinc/32/79/16/953327916.db2.gz MELXLKNNEDBLHZ-CZUORRHYSA-N -1 1 384.488 1.958 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCCC[C@H]2CNC(=O)[C@H]2CC2(C)C)n1 ZINC001571252552 953329849 /nfs/dbraw/zinc/32/98/49/953329849.db2.gz PQYKMPRZLYJNBX-QWHCGFSZSA-N -1 1 384.488 1.740 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCCC[C@H]2CNC(=O)[C@H]2CC2(C)C)n1 ZINC001571252552 953329852 /nfs/dbraw/zinc/32/98/52/953329852.db2.gz PQYKMPRZLYJNBX-QWHCGFSZSA-N -1 1 384.488 1.740 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H]2CNC(=O)[C@H]2CC[C@H](C)CC2)n1 ZINC001571252715 953332197 /nfs/dbraw/zinc/33/21/97/953332197.db2.gz UUBYAXZQBIUJJT-QEJZJMRPSA-N -1 1 384.488 1.876 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H]2CNC(=O)[C@H]2CC[C@H](C)CC2)n1 ZINC001571252715 953332199 /nfs/dbraw/zinc/33/21/99/953332199.db2.gz UUBYAXZQBIUJJT-QEJZJMRPSA-N -1 1 384.488 1.876 20 0 GDADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@H](C)c1cc(F)ccc1N(C)C ZINC001571254670 953340871 /nfs/dbraw/zinc/34/08/71/953340871.db2.gz HWOGBFJPWBWLNQ-SNVBAGLBSA-N -1 1 385.403 1.972 20 0 GDADMM CN(C)S(=O)(=O)c1cccc(NC(=O)CN2CCCC[C@H]2CCC(=O)[O-])c1 ZINC000424251051 953435876 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ZINC000321390087 532068017 /nfs/dbraw/zinc/06/80/17/532068017.db2.gz YDBSHHXKMMEAKN-UHFFFAOYSA-N -1 1 399.205 1.760 20 0 GDADMM O=C1[C@@H]([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)CCN1CC(F)(F)F ZINC000272169659 532081294 /nfs/dbraw/zinc/08/12/94/532081294.db2.gz GPDWUHRFFAWKOF-ZETCQYMHSA-N -1 1 392.186 1.830 20 0 GDADMM O=C1NC(=O)[C@]2(CCC[C@H]2C[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)N1 ZINC000272234309 532086691 /nfs/dbraw/zinc/08/66/91/532086691.db2.gz PTCSOGVTYPNGTQ-WPPNPWJKSA-N -1 1 393.252 1.045 20 0 GDADMM CN(C)S(=O)(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccnn2C)c1 ZINC000272338782 532092601 /nfs/dbraw/zinc/09/26/01/532092601.db2.gz SQJLFKKIYLFQJC-UHFFFAOYSA-N -1 1 378.863 1.125 20 0 GDADMM CCn1nccc1N1CCC[C@H]([N-]S(=O)(=O)c2nc(C)c(C)s2)C1=O ZINC000330346808 532119465 /nfs/dbraw/zinc/11/94/65/532119465.db2.gz HAKUXFWPFZYZSB-LBPRGKRZSA-N -1 1 383.499 1.450 20 0 GDADMM Cc1cc(F)c(S(=O)(=O)[N-]C2CCN(S(=O)(=O)C3CC3)CC2)c(F)c1 ZINC000425170325 532120963 /nfs/dbraw/zinc/12/09/63/532120963.db2.gz RRDRSZRBNGSHJT-UHFFFAOYSA-N -1 1 394.465 1.508 20 0 GDADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1c(F)cc(C)cc1F)C1CCOCC1 ZINC000425170004 532121448 /nfs/dbraw/zinc/12/14/48/532121448.db2.gz LUUBWSLOVPDCMA-AWEZNQCLSA-N -1 1 377.409 1.910 20 0 GDADMM Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)c(F)c1 ZINC000425195909 532125564 /nfs/dbraw/zinc/12/55/64/532125564.db2.gz VUUIFCSZXBJSQP-ZWNOBZJWSA-N -1 1 382.454 1.269 20 0 GDADMM CCc1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1ccc(Br)o1)CC2 ZINC000332188304 532169111 /nfs/dbraw/zinc/16/91/11/532169111.db2.gz ALSUNMSQLWKLFG-QMMMGPOBSA-N -1 1 375.248 1.489 20 0 GDADMM Cc1c([C@H]2OCC[C@@H]2[N-]S(=O)(=O)c2ccc(F)c(F)c2F)cnn1C ZINC000331953107 532156955 /nfs/dbraw/zinc/15/69/55/532156955.db2.gz GXOXRJALWZJZSX-XHDPSFHLSA-N -1 1 375.372 1.954 20 0 GDADMM C[C@H](NS(=O)(=O)c1ccc(OCCCC(=O)[O-])c(Cl)c1)c1nnc[nH]1 ZINC000273661717 532163184 /nfs/dbraw/zinc/16/31/84/532163184.db2.gz FBMNWIYEVBLLQL-VIFPVBQESA-N -1 1 388.833 1.741 20 0 GDADMM CCOc1cc(C(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)cc(Cl)c1[O-] ZINC000273967964 532178561 /nfs/dbraw/zinc/17/85/61/532178561.db2.gz QNRBNURXBLFQHC-SNVBAGLBSA-N -1 1 391.877 1.090 20 0 GDADMM C[N-]S(=O)(=O)c1ccc(-c2nc(Cc3csc([C@@H](C)OC)n3)no2)o1 ZINC000273865089 532174635 /nfs/dbraw/zinc/17/46/35/532174635.db2.gz CLFCDBBZVKZIAO-MRVPVSSYSA-N -1 1 384.439 1.992 20 0 GDADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H](CO)c2ccc(Cl)cc2)c1 ZINC000427905044 532193398 /nfs/dbraw/zinc/19/33/98/532193398.db2.gz DNBFYYBNJXFIJE-CYBMUJFWSA-N -1 1 384.841 1.668 20 0 GDADMM CCOc1cc(C(=O)N2CCC(CNS(C)(=O)=O)CC2)cc(Cl)c1[O-] ZINC000287148360 532198854 /nfs/dbraw/zinc/19/88/54/532198854.db2.gz XWNZWRPWYZYPRE-UHFFFAOYSA-N -1 1 390.889 1.846 20 0 GDADMM COC(=O)[C@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)[C@H](C)O ZINC000274364502 532205701 /nfs/dbraw/zinc/20/57/01/532205701.db2.gz OHXIKMWNRKCEAT-SSDLBLMSSA-N -1 1 376.645 1.848 20 0 GDADMM COc1ccc(NC(=O)N2CCC[C@@](F)(CO)C2)cc1[N-]S(C)(=O)=O ZINC000287316911 532208083 /nfs/dbraw/zinc/20/80/83/532208083.db2.gz XISDGITUBMJZFE-HNNXBMFYSA-N -1 1 375.422 1.395 20 0 GDADMM Cc1nc(S(=O)(=O)[N-]C[C@H](O)c2ccccc2C)c(Br)n1C ZINC000287677367 532233770 /nfs/dbraw/zinc/23/37/70/532233770.db2.gz DPUMFCZVPBOCAF-LBPRGKRZSA-N -1 1 388.287 1.811 20 0 GDADMM Cc1nc(S(=O)(=O)[N-]C[C@H](O)c2cccc(C)c2)c(Br)n1C ZINC000287786394 532240798 /nfs/dbraw/zinc/24/07/98/532240798.db2.gz KWPQCEMXYXQYDK-LBPRGKRZSA-N -1 1 388.287 1.811 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CC[S@]1=O ZINC000430333344 532246611 /nfs/dbraw/zinc/24/66/11/532246611.db2.gz AECZZSROCCSWMW-QVQLBTGDSA-N -1 1 376.500 1.340 20 0 GDADMM O=C(Cc1cc2c(cc1Br)OCCO2)NC1(c2nn[n-]n2)CC1 ZINC000430322571 532247153 /nfs/dbraw/zinc/24/71/53/532247153.db2.gz PUGCQIJMESHNCR-UHFFFAOYSA-N -1 1 380.202 1.081 20 0 GDADMM CCOC(=O)[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000287900424 532249123 /nfs/dbraw/zinc/24/91/23/532249123.db2.gz SEASXBXZEVNBGY-JGVFFNPUSA-N -1 1 382.280 1.357 20 0 GDADMM O=C([O-])[C@@H](Cc1cnc[nH]1)NS(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000274871030 532238433 /nfs/dbraw/zinc/23/84/33/532238433.db2.gz ARCCLFNWNQQMFW-GFCCVEGCSA-N -1 1 375.353 1.028 20 0 GDADMM NC(=O)CCNC(=O)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000431178827 532261668 /nfs/dbraw/zinc/26/16/68/532261668.db2.gz LRYLXLVSPOQGLX-UHFFFAOYSA-N -1 1 381.841 1.746 20 0 GDADMM Cc1nc(S(=O)(=O)[N-]C[C@@H](O)c2ccccc2F)c(Br)n1C ZINC000288075007 532261660 /nfs/dbraw/zinc/26/16/60/532261660.db2.gz JPGVAUMFIAPBLS-LLVKDONJSA-N -1 1 392.250 1.642 20 0 GDADMM Cc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCC23CCC3)c1 ZINC000349455079 532288951 /nfs/dbraw/zinc/28/89/51/532288951.db2.gz HAXHJSFEUWZULY-UHFFFAOYSA-N -1 1 387.527 1.870 20 0 GDADMM COC(=O)c1coc(S(=O)(=O)[N-]CCCn2cc(Br)cn2)c1 ZINC000288608077 532298589 /nfs/dbraw/zinc/29/85/89/532298589.db2.gz KKUODOUSEACOGH-UHFFFAOYSA-N -1 1 392.231 1.394 20 0 GDADMM O=C1CCCC(=O)N1CC[N-]S(=O)(=O)c1sccc1Br ZINC000405986966 532307171 /nfs/dbraw/zinc/30/71/71/532307171.db2.gz QDWXNJWTYHNSFE-UHFFFAOYSA-N -1 1 381.273 1.328 20 0 GDADMM COC[C@@H]([N-]S(=O)(=O)c1ccc(CCNC(=O)OC)s1)c1ccco1 ZINC000276272643 532325339 /nfs/dbraw/zinc/32/53/39/532325339.db2.gz VEEPCOMIVVGYNF-GFCCVEGCSA-N -1 1 388.467 1.906 20 0 GDADMM COCCOCCN(C)C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000288872012 532310273 /nfs/dbraw/zinc/31/02/73/532310273.db2.gz RTNGLSJAANDFLU-UHFFFAOYSA-N -1 1 375.447 1.193 20 0 GDADMM Cn1[n-]cc2/c(=N\C(=O)NCCCn3cc(Br)cn3)ccnc1-2 ZINC000288959580 532312455 /nfs/dbraw/zinc/31/24/55/532312455.db2.gz XTGBWJUZSODPLY-NDENLUEZSA-N -1 1 378.234 1.513 20 0 GDADMM CCO[C@@H]1C[C@@]([N-]S(=O)(=O)c2cccc(F)c2F)(C(=O)OC)C1(C)C ZINC000275962743 532316030 /nfs/dbraw/zinc/31/60/30/532316030.db2.gz MJZLBRBIXNCIHS-MLGOLLRUSA-N -1 1 377.409 1.990 20 0 GDADMM CCO[C@H]1C[C@]([N-]S(=O)(=O)c2cn(C)c(Cl)n2)(C(=O)OC)C1(C)C ZINC000275988590 532316871 /nfs/dbraw/zinc/31/68/71/532316871.db2.gz PUTCAIMRFVFFKH-XPTSAGLGSA-N -1 1 379.866 1.099 20 0 GDADMM CCOCc1nc([C@@H](C)[N-]S(=O)(=O)c2cc(C(=O)OC)cs2)no1 ZINC000289420371 532323760 /nfs/dbraw/zinc/32/37/60/532323760.db2.gz BUNYJJGQMAUXJC-MRVPVSSYSA-N -1 1 375.428 1.494 20 0 GDADMM COC(=O)[C@H]([N-]S(=O)(=O)CC(C)(C)OC)c1ccc(OC)c(Cl)c1 ZINC000289833327 532332807 /nfs/dbraw/zinc/33/28/07/532332807.db2.gz LKEXLUFKXCFTRZ-CYBMUJFWSA-N -1 1 379.862 1.907 20 0 GDADMM CO[C@H](CNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)C(F)(F)F ZINC000736963320 598824305 /nfs/dbraw/zinc/82/43/05/598824305.db2.gz RVXRTYIKVVZQPW-SNVBAGLBSA-N -1 1 388.350 1.210 20 0 GDADMM CC(=O)NC[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000735476249 598873508 /nfs/dbraw/zinc/87/35/08/598873508.db2.gz WSKIWAIOYJITTR-LLVKDONJSA-N -1 1 398.876 1.057 20 0 GDADMM CC(=O)NC[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000735476249 598873510 /nfs/dbraw/zinc/87/35/10/598873510.db2.gz WSKIWAIOYJITTR-LLVKDONJSA-N -1 1 398.876 1.057 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000738354147 598874395 /nfs/dbraw/zinc/87/43/95/598874395.db2.gz HQTZBLUJIQNZAI-VXGBXAGGSA-N -1 1 383.861 1.852 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000738354147 598874396 /nfs/dbraw/zinc/87/43/96/598874396.db2.gz HQTZBLUJIQNZAI-VXGBXAGGSA-N -1 1 383.861 1.852 20 0 GDADMM Cc1nnnn1-c1cccc([N-]S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)c1 ZINC000737301459 598930290 /nfs/dbraw/zinc/93/02/90/598930290.db2.gz OOPAWLQGXGEKCS-UHFFFAOYSA-N -1 1 397.424 1.260 20 0 GDADMM Cc1cc(Oc2ncccc2-c2nn[n-]n2)ccc1NC(=O)c1nccnc1N ZINC000737279787 598933468 /nfs/dbraw/zinc/93/34/68/598933468.db2.gz MYIGZLGUSRJKNJ-UHFFFAOYSA-N -1 1 389.379 1.987 20 0 GDADMM O=C(Cc1cccc(F)c1)NCCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000737970599 598964321 /nfs/dbraw/zinc/96/43/21/598964321.db2.gz XJRLOWNCKVXGNB-UHFFFAOYSA-N -1 1 392.398 1.720 20 0 GDADMM O=C(Cc1cccc(F)c1)NCCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000737970599 598964324 /nfs/dbraw/zinc/96/43/24/598964324.db2.gz XJRLOWNCKVXGNB-UHFFFAOYSA-N -1 1 392.398 1.720 20 0 GDADMM O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000738257587 598988500 /nfs/dbraw/zinc/98/85/00/598988500.db2.gz IKFZUWYOCVXEFJ-UHFFFAOYSA-N -1 1 397.826 1.513 20 0 GDADMM O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000738257587 598988502 /nfs/dbraw/zinc/98/85/02/598988502.db2.gz IKFZUWYOCVXEFJ-UHFFFAOYSA-N -1 1 397.826 1.513 20 0 GDADMM C[C@H]1CN(c2ccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)cn2)C[C@H](C)O1 ZINC000736292800 598992132 /nfs/dbraw/zinc/99/21/32/598992132.db2.gz LQVIDBCUOGJLJC-RYUDHWBXSA-N -1 1 380.412 1.523 20 0 GDADMM C[C@H]1CN(c2ccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)cn2)C[C@H](C)O1 ZINC000736292800 598992134 /nfs/dbraw/zinc/99/21/34/598992134.db2.gz LQVIDBCUOGJLJC-RYUDHWBXSA-N -1 1 380.412 1.523 20 0 GDADMM Cc1cc(C(=O)N2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)c(C)o1 ZINC000737234494 598997723 /nfs/dbraw/zinc/99/77/23/598997723.db2.gz MCENSYKILMTMBW-UHFFFAOYSA-N -1 1 381.396 1.070 20 0 GDADMM Cc1cc(C(=O)N2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)c(C)o1 ZINC000737234494 598997725 /nfs/dbraw/zinc/99/77/25/598997725.db2.gz MCENSYKILMTMBW-UHFFFAOYSA-N -1 1 381.396 1.070 20 0 GDADMM COC(=O)C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(OC)cc1 ZINC000736913019 599001242 /nfs/dbraw/zinc/00/12/42/599001242.db2.gz WBOAWJFRBUBJMT-OAHLLOKOSA-N -1 1 382.380 1.305 20 0 GDADMM COC(=O)C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(OC)cc1 ZINC000736913019 599001244 /nfs/dbraw/zinc/00/12/44/599001244.db2.gz WBOAWJFRBUBJMT-OAHLLOKOSA-N -1 1 382.380 1.305 20 0 GDADMM Cc1ccccc1-c1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)n(CCO)n1 ZINC000737417176 599001812 /nfs/dbraw/zinc/00/18/12/599001812.db2.gz GZSGRYIMQZNOLQ-UHFFFAOYSA-N -1 1 390.407 1.678 20 0 GDADMM Cc1ccccc1-c1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)n(CCO)n1 ZINC000737417176 599001814 /nfs/dbraw/zinc/00/18/14/599001814.db2.gz GZSGRYIMQZNOLQ-UHFFFAOYSA-N -1 1 390.407 1.678 20 0 GDADMM Cn1cc(C(=O)Nc2cccc(OC(=O)c3ccc(-c4nnn[n-]4)nc3)c2)cn1 ZINC000737604793 599001974 /nfs/dbraw/zinc/00/19/74/599001974.db2.gz KOLRBHLCURGHMQ-UHFFFAOYSA-N -1 1 390.363 1.467 20 0 GDADMM Cn1cc(C(=O)Nc2cccc(OC(=O)c3ccc(-c4nn[n-]n4)nc3)c2)cn1 ZINC000737604793 599001976 /nfs/dbraw/zinc/00/19/76/599001976.db2.gz KOLRBHLCURGHMQ-UHFFFAOYSA-N -1 1 390.363 1.467 20 0 GDADMM O=S(=O)(N[C@@H]1C[C@@H]1c1c(F)cccc1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000738330670 599007570 /nfs/dbraw/zinc/00/75/70/599007570.db2.gz RMTHSRJKDQJEKK-TVQRCGJNSA-N -1 1 394.819 1.889 20 0 GDADMM O=S(=O)(N[C@@H]1C[C@@H]1c1c(F)cccc1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000738330670 599007572 /nfs/dbraw/zinc/00/75/72/599007572.db2.gz RMTHSRJKDQJEKK-TVQRCGJNSA-N -1 1 394.819 1.889 20 0 GDADMM CC[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1cc(F)ccc1F ZINC000736370931 599007723 /nfs/dbraw/zinc/00/77/23/599007723.db2.gz UIFAOFIMMILYFF-CYBMUJFWSA-N -1 1 380.380 1.970 20 0 GDADMM CC[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1cc(F)ccc1F ZINC000736370931 599007724 /nfs/dbraw/zinc/00/77/24/599007724.db2.gz UIFAOFIMMILYFF-CYBMUJFWSA-N -1 1 380.380 1.970 20 0 GDADMM Cc1ccc(N(C)C2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)nn1 ZINC000737346957 599010368 /nfs/dbraw/zinc/01/03/68/599010368.db2.gz JOXVIBIOEVZYRA-UHFFFAOYSA-N -1 1 379.428 1.101 20 0 GDADMM Cc1ccc(N(C)C2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)nn1 ZINC000737346957 599010370 /nfs/dbraw/zinc/01/03/70/599010370.db2.gz JOXVIBIOEVZYRA-UHFFFAOYSA-N -1 1 379.428 1.101 20 0 GDADMM Cc1nn(-c2ccccc2)c(COC(=O)C=Cc2cnccn2)c1-c1nn[n-]n1 ZINC000737504335 599015736 /nfs/dbraw/zinc/01/57/36/599015736.db2.gz UJGVUQJWTIZTQU-BQYQJAHWSA-N -1 1 388.391 1.907 20 0 GDADMM Cc1[nH]nc(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)c1C ZINC000737202755 599023049 /nfs/dbraw/zinc/02/30/49/599023049.db2.gz QPARVXHBOAEJLO-UHFFFAOYSA-N -1 1 383.416 1.034 20 0 GDADMM CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736748806 599028468 /nfs/dbraw/zinc/02/84/68/599028468.db2.gz KVARHGZDKYDHBR-ZDUSSCGKSA-N -1 1 387.444 1.733 20 0 GDADMM CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736748806 599028470 /nfs/dbraw/zinc/02/84/70/599028470.db2.gz KVARHGZDKYDHBR-ZDUSSCGKSA-N -1 1 387.444 1.733 20 0 GDADMM O=C(NCc1nc(-c2cccc(Cl)c2)no1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738124376 599033667 /nfs/dbraw/zinc/03/36/67/599033667.db2.gz MRXDGLMAEWGBOO-UHFFFAOYSA-N -1 1 382.771 1.895 20 0 GDADMM O=C(NCc1nc(-c2cccc(Cl)c2)no1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738124376 599033669 /nfs/dbraw/zinc/03/36/69/599033669.db2.gz MRXDGLMAEWGBOO-UHFFFAOYSA-N -1 1 382.771 1.895 20 0 GDADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc2c(c1)NC(=O)CC2 ZINC000737225456 599097932 /nfs/dbraw/zinc/09/79/32/599097932.db2.gz NSPVFBIYHURXEJ-UHFFFAOYSA-N -1 1 384.421 1.861 20 0 GDADMM CC(C)(C)OC(=O)N(CCCNC(=O)c1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC000735624798 599105281 /nfs/dbraw/zinc/10/52/81/599105281.db2.gz WTSWEGWRNCIEOD-UHFFFAOYSA-N -1 1 387.444 1.781 20 0 GDADMM CC(C)(C)OC(=O)N(CCCNC(=O)c1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC000735624798 599105284 /nfs/dbraw/zinc/10/52/84/599105284.db2.gz WTSWEGWRNCIEOD-UHFFFAOYSA-N -1 1 387.444 1.781 20 0 GDADMM CCc1ccc([C@@H]2C[C@@H](C)CCN2c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)o1 ZINC000821480829 599110497 /nfs/dbraw/zinc/11/04/97/599110497.db2.gz FKNBTGZZNSKDGD-AAEUAGOBSA-N -1 1 399.455 1.397 20 0 GDADMM COCCCn1c(C)cc(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)c1C ZINC000736988124 599134833 /nfs/dbraw/zinc/13/48/33/599134833.db2.gz OXJBCTVHIXRQIV-UHFFFAOYSA-N -1 1 398.423 1.756 20 0 GDADMM COCCCn1c(C)cc(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)c1C ZINC000736988124 599134836 /nfs/dbraw/zinc/13/48/36/599134836.db2.gz OXJBCTVHIXRQIV-UHFFFAOYSA-N -1 1 398.423 1.756 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000736158435 599140521 /nfs/dbraw/zinc/14/05/21/599140521.db2.gz PTZASBFTPQPOKU-RYUDHWBXSA-N -1 1 378.392 1.785 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000736158435 599140522 /nfs/dbraw/zinc/14/05/22/599140522.db2.gz PTZASBFTPQPOKU-RYUDHWBXSA-N -1 1 378.392 1.785 20 0 GDADMM Nc1nc(COC(=O)c2ccc(-c3nnn[n-]3)nc2)nc(Nc2ccccc2)n1 ZINC000737776490 599141521 /nfs/dbraw/zinc/14/15/21/599141521.db2.gz OXJZMOATPNJLEC-UHFFFAOYSA-N -1 1 390.367 1.130 20 0 GDADMM Nc1nc(COC(=O)c2ccc(-c3nn[n-]n3)nc2)nc(Nc2ccccc2)n1 ZINC000737776490 599141524 /nfs/dbraw/zinc/14/15/24/599141524.db2.gz OXJZMOATPNJLEC-UHFFFAOYSA-N -1 1 390.367 1.130 20 0 GDADMM CCc1nn(Cc2nc(CC(F)(F)F)no2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736707743 599166358 /nfs/dbraw/zinc/16/63/58/599166358.db2.gz SPFBQIUNXZXZAT-UHFFFAOYSA-N -1 1 384.322 1.084 20 0 GDADMM CS[C@@H]1CC[C@@H](NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C1 ZINC000821949185 599184247 /nfs/dbraw/zinc/18/42/47/599184247.db2.gz FSMOFZZCFUQLNB-VXGBXAGGSA-N -1 1 376.486 1.917 20 0 GDADMM O=C(Nc1cc(-n2nnnc2C2CC2)ccc1F)c1ccc(-c2nnn[n-]2)nc1 ZINC000738145390 599202881 /nfs/dbraw/zinc/20/28/81/599202881.db2.gz JMFQVKHUCUINML-UHFFFAOYSA-N -1 1 392.358 1.506 20 0 GDADMM O=C(Nc1cc(-n2nnnc2C2CC2)ccc1F)c1ccc(-c2nn[n-]n2)nc1 ZINC000738145390 599202883 /nfs/dbraw/zinc/20/28/83/599202883.db2.gz JMFQVKHUCUINML-UHFFFAOYSA-N -1 1 392.358 1.506 20 0 GDADMM COc1ccc(C[C@]2(C)NC(=O)N(CN3CCC[C@@H](CC(=O)[O-])C3)C2=O)cc1 ZINC000818585342 597047659 /nfs/dbraw/zinc/04/76/59/597047659.db2.gz YPUDVALDDMBXJY-YWZLYKJASA-N -1 1 389.452 1.692 20 0 GDADMM Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N1CCC[C@H](CC(=O)[O-])C1 ZINC000533203146 597074308 /nfs/dbraw/zinc/07/43/08/597074308.db2.gz NBPNUJZQPRKONK-JKSUJKDBSA-N -1 1 375.469 1.933 20 0 GDADMM COCCOC[C@@H](C)NC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000737007289 599241289 /nfs/dbraw/zinc/24/12/89/599241289.db2.gz YWJVFPQQGUYJAO-SNVBAGLBSA-N -1 1 392.485 1.642 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)Nc2ccc3c(c2)C(=O)NCC3)cc1-c1nn[n-]n1 ZINC000737187765 599242350 /nfs/dbraw/zinc/24/23/50/599242350.db2.gz UGJBMRMKPMDMBM-UHFFFAOYSA-N -1 1 397.420 1.227 20 0 GDADMM CN(C(=O)CN1CC[C@@H](C(=O)[O-])C1)c1ccccc1C(=O)NCc1ccco1 ZINC000818363800 597528940 /nfs/dbraw/zinc/52/89/40/597528940.db2.gz VSCQEGZRQXCJMT-CQSZACIVSA-N -1 1 385.420 1.579 20 0 GDADMM Cc1ccncc1NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000737441957 598235157 /nfs/dbraw/zinc/23/51/57/598235157.db2.gz CYYYAYOZQYGXPO-UHFFFAOYSA-N -1 1 377.412 1.801 20 0 GDADMM Cc1ccncc1NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000737441957 598235158 /nfs/dbraw/zinc/23/51/58/598235158.db2.gz CYYYAYOZQYGXPO-UHFFFAOYSA-N -1 1 377.412 1.801 20 0 GDADMM CC(C)(C)c1csc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC000735655713 598253555 /nfs/dbraw/zinc/25/35/55/598253555.db2.gz CPQFIESQUCAGMU-UHFFFAOYSA-N -1 1 379.471 1.494 20 0 GDADMM CC(C)(C)c1csc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC000735655713 598253556 /nfs/dbraw/zinc/25/35/56/598253556.db2.gz CPQFIESQUCAGMU-UHFFFAOYSA-N -1 1 379.471 1.494 20 0 GDADMM O=S(=O)(Oc1ccc(Br)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738340546 598259860 /nfs/dbraw/zinc/25/98/60/598259860.db2.gz YLZHMBKKLVVSPH-UHFFFAOYSA-N -1 1 382.199 1.792 20 0 GDADMM O=S(=O)(Oc1ccc(Br)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738340546 598259862 /nfs/dbraw/zinc/25/98/62/598259862.db2.gz YLZHMBKKLVVSPH-UHFFFAOYSA-N -1 1 382.199 1.792 20 0 GDADMM CN(Cc1ccccc1N1CCCC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736828138 598261677 /nfs/dbraw/zinc/26/16/77/598261677.db2.gz HYZCRQIPEHDZDW-UHFFFAOYSA-N -1 1 399.480 1.683 20 0 GDADMM CN(Cc1ccccc1N1CCCC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736828138 598261679 /nfs/dbraw/zinc/26/16/79/598261679.db2.gz HYZCRQIPEHDZDW-UHFFFAOYSA-N -1 1 399.480 1.683 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCc2[nH]c3ccccc3c2C1 ZINC000738355833 598262765 /nfs/dbraw/zinc/26/27/65/598262765.db2.gz UZGUKVYCUZICJG-UHFFFAOYSA-N -1 1 381.421 1.490 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCc2[nH]c3ccccc3c2C1 ZINC000738355833 598262766 /nfs/dbraw/zinc/26/27/66/598262766.db2.gz UZGUKVYCUZICJG-UHFFFAOYSA-N -1 1 381.421 1.490 20 0 GDADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc2c(c1)CCC(=O)N2 ZINC000736128946 598265295 /nfs/dbraw/zinc/26/52/95/598265295.db2.gz BCCITMHUWBAPQB-SNVBAGLBSA-N -1 1 399.436 1.186 20 0 GDADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc2c(c1)CCC(=O)N2 ZINC000736128946 598265297 /nfs/dbraw/zinc/26/52/97/598265297.db2.gz BCCITMHUWBAPQB-SNVBAGLBSA-N -1 1 399.436 1.186 20 0 GDADMM O=S(=O)(NCCc1ccc2ccccc2n1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738337818 598269454 /nfs/dbraw/zinc/26/94/54/598269454.db2.gz GYKOWRJHOCRMHQ-UHFFFAOYSA-N -1 1 381.421 1.331 20 0 GDADMM O=S(=O)(NCCc1ccc2ccccc2n1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738337818 598269455 /nfs/dbraw/zinc/26/94/55/598269455.db2.gz GYKOWRJHOCRMHQ-UHFFFAOYSA-N -1 1 381.421 1.331 20 0 GDADMM O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC000738162325 598346387 /nfs/dbraw/zinc/34/63/87/598346387.db2.gz ACCCQXXPCZIUAE-SNVBAGLBSA-N -1 1 385.819 1.560 20 0 GDADMM O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC000738162325 598346389 /nfs/dbraw/zinc/34/63/89/598346389.db2.gz ACCCQXXPCZIUAE-SNVBAGLBSA-N -1 1 385.819 1.560 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(Nc2ccc(Nc3ccccc3)nc2)n(C)c1=O ZINC000737595660 598351736 /nfs/dbraw/zinc/35/17/36/598351736.db2.gz JNLQXUHXWYYLRU-UHFFFAOYSA-N -1 1 391.395 1.146 20 0 GDADMM Cc1oc(NC(=O)[C@@H](C)N2CCn3c(nnc3C3CC3)C2)c(-c2nn[n-]n2)c1C ZINC000737551469 598376212 /nfs/dbraw/zinc/37/62/12/598376212.db2.gz HLTWUCIHQRDBPQ-SNVBAGLBSA-N -1 1 397.443 1.388 20 0 GDADMM CCc1nn(CC(=O)NCCc2ccccc2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706503 598377711 /nfs/dbraw/zinc/37/77/11/598377711.db2.gz XCXLDYCEDLHNLA-UHFFFAOYSA-N -1 1 395.467 1.216 20 0 GDADMM CCc1nn(CC(=O)N(C)[C@@H](C)c2ccccc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705164 598378061 /nfs/dbraw/zinc/37/80/61/598378061.db2.gz CWEDKVQYVSPBSS-ZDUSSCGKSA-N -1 1 395.467 1.768 20 0 GDADMM O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC000738162944 598386958 /nfs/dbraw/zinc/38/69/58/598386958.db2.gz IYLNXVKMXTZDFA-SNVBAGLBSA-N -1 1 385.819 1.560 20 0 GDADMM O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC000738162944 598386960 /nfs/dbraw/zinc/38/69/60/598386960.db2.gz IYLNXVKMXTZDFA-SNVBAGLBSA-N -1 1 385.819 1.560 20 0 GDADMM Cc1cccc(C2(CNc3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)CCCC2)c1 ZINC000737389068 598395299 /nfs/dbraw/zinc/39/52/99/598395299.db2.gz IECPPNGFYSSCTA-UHFFFAOYSA-N -1 1 395.467 1.496 20 0 GDADMM CCCOC(=O)CCNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000736489621 598402975 /nfs/dbraw/zinc/40/29/75/598402975.db2.gz XVBRTTSFXYNPSL-UHFFFAOYSA-N -1 1 390.469 1.934 20 0 GDADMM COC(=O)Nc1cc([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)ccc1F ZINC000736938886 598452148 /nfs/dbraw/zinc/45/21/48/598452148.db2.gz GRIVXHDADKLGJX-UHFFFAOYSA-N -1 1 392.372 1.985 20 0 GDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)Cc1ccccc1I ZINC000822904407 607357545 /nfs/dbraw/zinc/35/75/45/607357545.db2.gz YEJIKUKTBLBFLP-UHFFFAOYSA-N -1 1 395.164 1.133 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC1CCC(C(N)=O)CC1 ZINC000737546243 598542011 /nfs/dbraw/zinc/54/20/11/598542011.db2.gz BVYLYWBZAWNQHR-UHFFFAOYSA-N -1 1 383.412 1.333 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC1CCC(C(N)=O)CC1 ZINC000737546243 598542013 /nfs/dbraw/zinc/54/20/13/598542013.db2.gz BVYLYWBZAWNQHR-UHFFFAOYSA-N -1 1 383.412 1.333 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC[C@@H]2CCOc3ccccc32)cc1-c1nn[n-]n1 ZINC000737187807 598542143 /nfs/dbraw/zinc/54/21/43/598542143.db2.gz VPJWJSXJHAPBMA-JTQLQIEISA-N -1 1 398.448 1.985 20 0 GDADMM CN(c1snc(Cl)c1-c1nnn[n-]1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000736842912 598544413 /nfs/dbraw/zinc/54/44/13/598544413.db2.gz HAKFSXAOTABHFZ-SECBINFHSA-N -1 1 377.865 1.872 20 0 GDADMM CN(c1snc(Cl)c1-c1nn[n-]n1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000736842912 598544414 /nfs/dbraw/zinc/54/44/14/598544414.db2.gz HAKFSXAOTABHFZ-SECBINFHSA-N -1 1 377.865 1.872 20 0 GDADMM C[C@H]1Oc2ccc(C(=O)COC(=O)c3sccc3-c3nn[n-]n3)cc2NC1=O ZINC000736300939 598557110 /nfs/dbraw/zinc/55/71/10/598557110.db2.gz IARJWIOPRSDQMN-MRVPVSSYSA-N -1 1 399.388 1.687 20 0 GDADMM NC(=O)[C@@H](c1ccccc1)N1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000737737325 598573834 /nfs/dbraw/zinc/57/38/34/598573834.db2.gz BYQKOWOSXWNABJ-MRXNPFEDSA-N -1 1 398.858 1.264 20 0 GDADMM NC(=O)[C@@H](c1ccccc1)N1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000737737325 598573836 /nfs/dbraw/zinc/57/38/36/598573836.db2.gz BYQKOWOSXWNABJ-MRXNPFEDSA-N -1 1 398.858 1.264 20 0 GDADMM C[C@@H](NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1ccc2c(c1)OCO2 ZINC000736128941 598687578 /nfs/dbraw/zinc/68/75/78/598687578.db2.gz BALVWUXMHIZFQB-SECBINFHSA-N -1 1 391.384 1.774 20 0 GDADMM Cc1cc([C@H]2CCCN2S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)on1 ZINC000737261029 598690000 /nfs/dbraw/zinc/69/00/00/598690000.db2.gz BRNTUCZYEFRXSA-CYBMUJFWSA-N -1 1 378.389 1.828 20 0 GDADMM COCCN(Cc1ccccn1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737002645 598691753 /nfs/dbraw/zinc/69/17/53/598691753.db2.gz QRGNRIJSWQEZQJ-UHFFFAOYSA-N -1 1 392.416 1.238 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)NCCC[S@@](C)=O)c1-c1nn[n-]n1 ZINC000737188715 598692880 /nfs/dbraw/zinc/69/28/80/598692880.db2.gz DQQFCQQYUXAYHQ-RUZDIDTESA-N -1 1 380.499 1.359 20 0 GDADMM O=S(=O)(N[C@@H](c1ccccc1)c1ccncc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738331889 598710690 /nfs/dbraw/zinc/71/06/90/598710690.db2.gz XUKFWRCEQCLQHH-KRWDZBQOSA-N -1 1 393.432 1.725 20 0 GDADMM O=S(=O)(N[C@@H](c1ccccc1)c1ccncc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738331889 598710691 /nfs/dbraw/zinc/71/06/91/598710691.db2.gz XUKFWRCEQCLQHH-KRWDZBQOSA-N -1 1 393.432 1.725 20 0 GDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@@H]1CCCN(c2ncnc3sccc32)C1 ZINC000822904250 599317616 /nfs/dbraw/zinc/31/76/16/599317616.db2.gz UMTYATGRWOLGCP-SECBINFHSA-N -1 1 396.440 1.207 20 0 GDADMM CN(CC(C)(C)C)C(=O)c1cccc(C(=O)n2ncc(-c3nn[n-]n3)c2N)c1 ZINC000821594038 599318722 /nfs/dbraw/zinc/31/87/22/599318722.db2.gz WDMITWGAFCGHNS-UHFFFAOYSA-N -1 1 382.428 1.452 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCOC[C@H]1c1ccco1 ZINC000823607826 599346320 /nfs/dbraw/zinc/34/63/20/599346320.db2.gz XSAJXPCUMRTAFL-NSHDSACASA-N -1 1 379.373 1.361 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCOC[C@H]1c1ccco1 ZINC000823607826 599346321 /nfs/dbraw/zinc/34/63/21/599346321.db2.gz XSAJXPCUMRTAFL-NSHDSACASA-N -1 1 379.373 1.361 20 0 GDADMM COc1ccc(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1OC ZINC000821846600 599372094 /nfs/dbraw/zinc/37/20/94/599372094.db2.gz VHORRPCNXSYCAV-UHFFFAOYSA-N -1 1 380.357 1.791 20 0 GDADMM CCO[C@H]1C[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C12CCCC2 ZINC000821361912 599376536 /nfs/dbraw/zinc/37/65/36/599376536.db2.gz XWZVONWYTTUJME-KBPBESRZSA-N -1 1 378.458 1.278 20 0 GDADMM CCO[C@H]1C[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C12CCCC2 ZINC000821361912 599376538 /nfs/dbraw/zinc/37/65/38/599376538.db2.gz XWZVONWYTTUJME-KBPBESRZSA-N -1 1 378.458 1.278 20 0 GDADMM Cc1ccc(S(=O)(=O)N2CCC(Nc3cccc(-c4nnn[n-]4)n3)CC2)cc1 ZINC000737370606 599401613 /nfs/dbraw/zinc/40/16/13/599401613.db2.gz UQBQDTLWVYANEO-UHFFFAOYSA-N -1 1 399.480 1.835 20 0 GDADMM Cc1ccc(S(=O)(=O)N2CCC(Nc3cccc(-c4nn[n-]n4)n3)CC2)cc1 ZINC000737370606 599401616 /nfs/dbraw/zinc/40/16/16/599401616.db2.gz UQBQDTLWVYANEO-UHFFFAOYSA-N -1 1 399.480 1.835 20 0 GDADMM COc1ccccc1CC(=O)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000737146631 599418796 /nfs/dbraw/zinc/41/87/96/599418796.db2.gz IMUGNKXTXXXMQG-UHFFFAOYSA-N -1 1 379.424 1.162 20 0 GDADMM COc1ccccc1CC(=O)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000737146631 599418801 /nfs/dbraw/zinc/41/88/01/599418801.db2.gz IMUGNKXTXXXMQG-UHFFFAOYSA-N -1 1 379.424 1.162 20 0 GDADMM Cc1ccccc1O[C@@H](C)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000737433512 599473105 /nfs/dbraw/zinc/47/31/05/599473105.db2.gz AKMFURFLGOKSPP-AWEZNQCLSA-N -1 1 394.439 1.081 20 0 GDADMM Cc1ccccc1O[C@@H](C)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000737433512 599473107 /nfs/dbraw/zinc/47/31/07/599473107.db2.gz AKMFURFLGOKSPP-AWEZNQCLSA-N -1 1 394.439 1.081 20 0 GDADMM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736232970 599480952 /nfs/dbraw/zinc/48/09/52/599480952.db2.gz DQYGUXQGSRJETJ-DGCLKSJQSA-N -1 1 388.428 1.968 20 0 GDADMM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736232970 599480955 /nfs/dbraw/zinc/48/09/55/599480955.db2.gz DQYGUXQGSRJETJ-DGCLKSJQSA-N -1 1 388.428 1.968 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H]2CCC[C@H]2Cc2ccccc2)n(C)c1=O ZINC000737595077 599527414 /nfs/dbraw/zinc/52/74/14/599527414.db2.gz FJWBSJSYMLRXHI-KBPBESRZSA-N -1 1 381.440 1.087 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCSC[C@@H]1C ZINC000737486278 599558383 /nfs/dbraw/zinc/55/83/83/599558383.db2.gz COMRWGLGGMCHSA-JTQLQIEISA-N -1 1 386.485 1.423 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCSC[C@@H]1C ZINC000737486278 599558385 /nfs/dbraw/zinc/55/83/85/599558385.db2.gz COMRWGLGGMCHSA-JTQLQIEISA-N -1 1 386.485 1.423 20 0 GDADMM Cc1nn(C)c(C)c1CN(C)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737510420 599596097 /nfs/dbraw/zinc/59/60/97/599596097.db2.gz MQFYKLRAXMBXLB-UHFFFAOYSA-N -1 1 379.421 1.177 20 0 GDADMM CC[C@@H]1Oc2cc([C@@H](C)NC(=O)c3ccc(-c4nnn[n-]4)nc3)ccc2NC1=O ZINC000821001195 599655151 /nfs/dbraw/zinc/65/51/51/599655151.db2.gz PTEWLWKJRJNAGB-BMIGLBTASA-N -1 1 393.407 1.862 20 0 GDADMM CC[C@@H]1Oc2cc([C@@H](C)NC(=O)c3ccc(-c4nn[n-]n4)nc3)ccc2NC1=O ZINC000821001195 599655152 /nfs/dbraw/zinc/65/51/52/599655152.db2.gz PTEWLWKJRJNAGB-BMIGLBTASA-N -1 1 393.407 1.862 20 0 GDADMM Cn1nc(C(C)(C)C)cc1NC(=O)COC(=O)c1sccc1-c1nn[n-]n1 ZINC000822705103 599658828 /nfs/dbraw/zinc/65/88/28/599658828.db2.gz VNVGXBJEMFHSDW-UHFFFAOYSA-N -1 1 389.441 1.755 20 0 GDADMM Cc1oc(NC(=O)CN2C[C@H](C)O[C@H](C(F)(F)F)C2)c(-c2nn[n-]n2)c1C ZINC000822548994 599691277 /nfs/dbraw/zinc/69/12/77/599691277.db2.gz RAZLVJFQIKBBGY-XVKPBYJWSA-N -1 1 388.350 1.667 20 0 GDADMM C[C@H](C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1)c1cccnc1 ZINC000819857685 599696315 /nfs/dbraw/zinc/69/63/15/599696315.db2.gz UFDQFGVNMZCTTR-LBPRGKRZSA-N -1 1 394.439 1.579 20 0 GDADMM COc1ccc([C@@H](NC(=O)c2ccc3c(c2)[nH]c(=S)n(C)c3=O)C(=O)[O-])cc1 ZINC000737964095 599759770 /nfs/dbraw/zinc/75/97/70/599759770.db2.gz GPPHYFBRMHGRLL-OAHLLOKOSA-N -1 1 399.428 1.787 20 0 GDADMM Cc1nnnn1-c1cc(NS(=O)(=O)c2ccsc2C(=O)[O-])ccc1F ZINC000738936282 599765459 /nfs/dbraw/zinc/76/54/59/599765459.db2.gz DWNRVTZUTBTQRW-UHFFFAOYSA-N -1 1 383.386 1.670 20 0 GDADMM COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)NC[C@@H](C)N(C)C2CC2)c1OC ZINC000737871739 599775026 /nfs/dbraw/zinc/77/50/26/599775026.db2.gz MXQLWVXBXRQTDD-FZKGZDJFSA-N -1 1 398.481 1.563 20 0 GDADMM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N2CC[C@@H](N3CCCCC3)C2)c1 ZINC000737685071 599781383 /nfs/dbraw/zinc/78/13/83/599781383.db2.gz YQTYDOWFGWCUBQ-CQSZACIVSA-N -1 1 396.465 1.420 20 0 GDADMM COCCN1CCC[C@@H]1CNS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000737807448 599827142 /nfs/dbraw/zinc/82/71/42/599827142.db2.gz AZJASTWWYGTLML-GFCCVEGCSA-N -1 1 376.862 1.427 20 0 GDADMM C[C@H](C(=O)NCC(=O)[O-])N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000736209235 599850080 /nfs/dbraw/zinc/85/00/80/599850080.db2.gz RFVMKFFUTSWWFP-YPMHNXCESA-N -1 1 376.388 1.644 20 0 GDADMM CC(C)CN1CCO[C@H](CNC(=O)COC(=O)c2ccccc2NC(=O)[O-])C1 ZINC000736443326 599868843 /nfs/dbraw/zinc/86/88/43/599868843.db2.gz OJSIBILIFDQJMN-CQSZACIVSA-N -1 1 393.440 1.406 20 0 GDADMM CCOC(=O)CCN(C)CC1=C(C(=O)[O-])[C@H](c2ccccc2)NC(=O)N1C ZINC000737138079 599888412 /nfs/dbraw/zinc/88/84/12/599888412.db2.gz ITTJGKOPKHHYPT-KRWDZBQOSA-N -1 1 375.425 1.606 20 0 GDADMM CC[C@H](C)[C@H](NC(=O)CN(C)[C@H]1CCCN(c2ccc(C)nn2)C1)C(=O)[O-] ZINC000736878132 599956569 /nfs/dbraw/zinc/95/65/69/599956569.db2.gz LSDINSZMLRXVHO-YEWWUXTCSA-N -1 1 377.489 1.301 20 0 GDADMM CC(C)(C)C(=O)N[C@@H]1CCCN(C[C@H](O)COc2ccc(C(=O)[O-])cc2)C1 ZINC000736242699 599992275 /nfs/dbraw/zinc/99/22/75/599992275.db2.gz YSFCPEVTCZQCCN-CVEARBPZSA-N -1 1 378.469 1.751 20 0 GDADMM COC(=O)c1sc2[n-]c(C[N@@H+](C)CC(C)(C)C)nc(=O)c2c1CC(=O)[O-] ZINC000737723879 599995316 /nfs/dbraw/zinc/99/53/16/599995316.db2.gz QSBDVUQYRSAPPL-UHFFFAOYSA-N -1 1 381.454 1.876 20 0 GDADMM COC(=O)c1sc2[nH]c(CN(C)CC(C)(C)C)nc(=O)c2c1CC(=O)[O-] ZINC000737723879 599995319 /nfs/dbraw/zinc/99/53/19/599995319.db2.gz QSBDVUQYRSAPPL-UHFFFAOYSA-N -1 1 381.454 1.876 20 0 GDADMM O=C([O-])[C@H]1CN(CC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)CCO1 ZINC000738464246 600005393 /nfs/dbraw/zinc/00/53/93/600005393.db2.gz IATJMKYVGQVFEZ-DLBZAZTESA-N -1 1 395.887 1.379 20 0 GDADMM CCN1CCN(c2ccc(CNC(=O)NC3CCC(C(=O)[O-])CC3)cn2)CC1 ZINC000737123622 600015802 /nfs/dbraw/zinc/01/58/02/600015802.db2.gz YNILJOIUZRZABV-UHFFFAOYSA-N -1 1 389.500 1.666 20 0 GDADMM CN(C(=O)[O-])c1ccccc1C(=O)OCC1=Nc2ccccc2S(=O)(=O)N1 ZINC000737337238 600038642 /nfs/dbraw/zinc/03/86/42/600038642.db2.gz WCRLOZCQAJLJJE-UHFFFAOYSA-N -1 1 389.389 1.980 20 0 GDADMM Cc1c(C(=O)[O-])sc2nc(C)nc(NC3CCN(CC(=O)N(C)C)CC3)c12 ZINC000738363508 600076048 /nfs/dbraw/zinc/07/60/48/600076048.db2.gz JAXJCHZWTNQLEA-UHFFFAOYSA-N -1 1 391.497 1.393 20 0 GDADMM O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1ccc(C(=O)NCCO)cc1 ZINC000739429545 600096455 /nfs/dbraw/zinc/09/64/55/600096455.db2.gz XRYUAKUCHJSDJR-UHFFFAOYSA-N -1 1 382.369 1.047 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(C(N)=O)c2)c(C(=O)[O-])s1 ZINC000737679621 600098947 /nfs/dbraw/zinc/09/89/47/600098947.db2.gz BNPLFFAJALYRKJ-UHFFFAOYSA-N -1 1 398.418 1.441 20 0 GDADMM Cc1ccc([C@H](CN2CCOCC2)NCC(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000738550446 600120191 /nfs/dbraw/zinc/12/01/91/600120191.db2.gz FEVVVTCMDDHHJY-IBGZPJMESA-N -1 1 389.496 1.281 20 0 GDADMM COc1ccc(C)cc1NC(=O)CNC(=O)CNC1(C(=O)[O-])CCCCC1 ZINC000737974221 600149288 /nfs/dbraw/zinc/14/92/88/600149288.db2.gz ZGONGAOQMPKGGX-UHFFFAOYSA-N -1 1 377.441 1.435 20 0 GDADMM COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc([S@@](C)=O)c1 ZINC000737689487 600177244 /nfs/dbraw/zinc/17/72/44/600177244.db2.gz YQLRWCZVJAIVDN-RUZDIDTESA-N -1 1 397.430 1.710 20 0 GDADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N(C)c1nc(CC(=O)[O-])cs1 ZINC000736650775 600234964 /nfs/dbraw/zinc/23/49/64/600234964.db2.gz PSDYKWYLDQWHRQ-SECBINFHSA-N -1 1 387.421 1.428 20 0 GDADMM COc1cc(CNC(=O)CN2CCC3(C[C@@H]3C(=O)[O-])CC2)cc(OC)c1OC ZINC000737880578 600298480 /nfs/dbraw/zinc/29/84/80/600298480.db2.gz HIZVEKOSLLBSCG-CQSZACIVSA-N -1 1 392.452 1.515 20 0 GDADMM COc1ccc(CNC(=O)[C@@H](C)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1OC ZINC000737996745 600298764 /nfs/dbraw/zinc/29/87/64/600298764.db2.gz IOMWGYCXOJMGSA-HIFRSBDPSA-N -1 1 376.453 1.895 20 0 GDADMM COc1ccc(CCN2C(=O)C[C@H](N3CCC4(C[C@H]4C(=O)[O-])CC3)C2=O)cc1 ZINC000737992307 600314988 /nfs/dbraw/zinc/31/49/88/600314988.db2.gz MFNYIMOWOQTXLK-IRXDYDNUSA-N -1 1 386.448 1.552 20 0 GDADMM Cc1[nH]nc(S(=O)(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@H]32)c1C(=O)[O-] ZINC000738671232 600338406 /nfs/dbraw/zinc/33/84/06/600338406.db2.gz VFJCRWOKZOSCJS-UKRRQHHQSA-N -1 1 390.465 1.721 20 0 GDADMM Cc1[nH]nc(S(=O)(=O)N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@H]32)c1C(=O)[O-] ZINC000738671229 600338453 /nfs/dbraw/zinc/33/84/53/600338453.db2.gz VFJCRWOKZOSCJS-DZGCQCFKSA-N -1 1 390.465 1.721 20 0 GDADMM CC[C@H]1CN(C(=O)NCCOc2ccc(C(=O)[O-])cc2)CCN1CCOC ZINC000736937923 600358830 /nfs/dbraw/zinc/35/88/30/600358830.db2.gz ILJSUMDQDAAHAD-INIZCTEOSA-N -1 1 379.457 1.516 20 0 GDADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000738229148 600366652 /nfs/dbraw/zinc/36/66/52/600366652.db2.gz 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C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)[C@H]1CCCO1 ZINC000824640757 607583574 /nfs/dbraw/zinc/58/35/74/607583574.db2.gz NXHCKIARJPOYTC-LDYMZIIASA-N -1 1 391.375 1.731 20 0 GDADMM C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739173162 602761398 /nfs/dbraw/zinc/76/13/98/602761398.db2.gz FYMHJEVHLQODCA-IIDMSEBBSA-N -1 1 392.475 1.841 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCn2c3ccccc3nc21 ZINC000826495862 607584666 /nfs/dbraw/zinc/58/46/66/607584666.db2.gz FDXFXNCLGVUHFE-UHFFFAOYSA-N -1 1 385.384 1.564 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCn2c3ccccc3nc21 ZINC000826495862 607584667 /nfs/dbraw/zinc/58/46/67/607584667.db2.gz FDXFXNCLGVUHFE-UHFFFAOYSA-N -1 1 385.384 1.564 20 0 GDADMM O=C([O-])Nc1cc(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)ccc1F ZINC000740695682 602771878 /nfs/dbraw/zinc/77/18/78/602771878.db2.gz MASXQAUYJNMKQG-CQSZACIVSA-N -1 1 380.420 1.052 20 0 GDADMM COc1ccc(C=O)c(OS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826190561 607585664 /nfs/dbraw/zinc/58/56/64/607585664.db2.gz FSKHPEYZDKSCKG-UHFFFAOYSA-N -1 1 378.341 1.595 20 0 GDADMM COc1ccc(C=O)c(OS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826190561 607585666 /nfs/dbraw/zinc/58/56/66/607585666.db2.gz FSKHPEYZDKSCKG-UHFFFAOYSA-N -1 1 378.341 1.595 20 0 GDADMM CCN(C[C@@H]1COc2ccccc2O1)C(=O)CN1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739414939 602788521 /nfs/dbraw/zinc/78/85/21/602788521.db2.gz LFIUNOMXRIBLBO-BZUAXINKSA-N -1 1 391.468 1.653 20 0 GDADMM CC(C)[C@@H](CNC(=O)[C@H](Cc1ccccc1)NC(=O)[O-])N1CCN(C)CC1 ZINC000738775101 602790796 /nfs/dbraw/zinc/79/07/96/602790796.db2.gz OTJXYPUAGCOPDG-ZWKOTPCHSA-N -1 1 376.501 1.254 20 0 GDADMM CNC(=O)c1ccccc1OS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826073344 607587676 /nfs/dbraw/zinc/58/76/76/607587676.db2.gz OSRPGWMFESCEDC-UHFFFAOYSA-N -1 1 377.357 1.133 20 0 GDADMM CNC(=O)c1ccccc1OS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826073344 607587677 /nfs/dbraw/zinc/58/76/77/607587677.db2.gz OSRPGWMFESCEDC-UHFFFAOYSA-N -1 1 377.357 1.133 20 0 GDADMM O=C([O-])NCCOc1cccc(NC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000740670566 602824640 /nfs/dbraw/zinc/82/46/40/602824640.db2.gz KVKIIQUXKFPAPB-IAGOWNOFSA-N -1 1 392.456 1.396 20 0 GDADMM O=S(=O)(NC[C@@H]1CCCOC1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826490036 607595019 /nfs/dbraw/zinc/59/50/19/607595019.db2.gz IEFUUYAZGSVBLM-VIFPVBQESA-N -1 1 391.375 1.590 20 0 GDADMM COc1cccc([C@H](CNC(=O)N2CC[C@H](NC(=O)[O-])[C@H](C)C2)N(C)C)c1 ZINC000739944236 602931079 /nfs/dbraw/zinc/93/10/79/602931079.db2.gz COVRQJDFUKRMCY-COXVUDFISA-N -1 1 378.473 1.986 20 0 GDADMM O=C([O-])N[C@H](CCC(=O)N1CC[C@H](CN2CCOCC2)C1)c1ccccc1 ZINC000740533585 602971265 /nfs/dbraw/zinc/97/12/65/602971265.db2.gz QOKIBFIGCDTNAI-SJLPKXTDSA-N -1 1 375.469 1.956 20 0 GDADMM COc1ccc(-c2n[nH]c(CNC(=O)N[C@H]3CCCCN(C(=O)[O-])C3)n2)cc1 ZINC000739880092 602977310 /nfs/dbraw/zinc/97/73/10/602977310.db2.gz RXIFDLOGWYWINR-ZDUSSCGKSA-N -1 1 388.428 1.812 20 0 GDADMM COc1ccc(-c2nc(CNC(=O)N[C@H]3CCCCN(C(=O)[O-])C3)n[nH]2)cc1 ZINC000739880092 602977312 /nfs/dbraw/zinc/97/73/12/602977312.db2.gz RXIFDLOGWYWINR-ZDUSSCGKSA-N -1 1 388.428 1.812 20 0 GDADMM O=C([O-])NC[C@@H]1CCCC[C@@H]1NC(=O)CCNC(=O)c1n[nH]c2ccccc21 ZINC000740622473 602991857 /nfs/dbraw/zinc/99/18/57/602991857.db2.gz CGOCXECVUOHRAG-JSGCOSHPSA-N -1 1 387.440 1.625 20 0 GDADMM Cc1nn(C)c(C)c1CC(=O)Nc1ccc(-c2nc(CNC(=O)[O-])n[nH]2)cc1 ZINC000740250400 603056857 /nfs/dbraw/zinc/05/68/57/603056857.db2.gz YXYBGOQBVYWIGQ-UHFFFAOYSA-N -1 1 383.412 1.771 20 0 GDADMM Cc1nn(C)c(C)c1CC(=O)Nc1ccc(-c2n[nH]c(CNC(=O)[O-])n2)cc1 ZINC000740250400 603056862 /nfs/dbraw/zinc/05/68/62/603056862.db2.gz YXYBGOQBVYWIGQ-UHFFFAOYSA-N -1 1 383.412 1.771 20 0 GDADMM O=S(=O)(NCc1ccc2c(c1)CCO2)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826491780 607604374 /nfs/dbraw/zinc/60/43/74/607604374.db2.gz ANPUGGNDGQMGKT-UHFFFAOYSA-N -1 1 391.840 1.934 20 0 GDADMM O=S(=O)(NCc1ccc2c(c1)CCO2)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826491780 607604375 /nfs/dbraw/zinc/60/43/75/607604375.db2.gz ANPUGGNDGQMGKT-UHFFFAOYSA-N -1 1 391.840 1.934 20 0 GDADMM C[C@@H]1CN(Cc2ccc(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[O-])cc2)C[C@H](C)O1 ZINC000739188401 603085779 /nfs/dbraw/zinc/08/57/79/603085779.db2.gz XZRVIUORQOXSGE-NONVJHHQSA-N -1 1 391.468 1.025 20 0 GDADMM Cc1ccc(C(=O)NCCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)c(O)c1 ZINC000826282114 607606628 /nfs/dbraw/zinc/60/66/28/607606628.db2.gz YQCVXZKAFMHZTD-UHFFFAOYSA-N -1 1 382.380 1.139 20 0 GDADMM CN(C(=O)[O-])[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(Cc3ccc(C(=O)[O-])cc3)C2=O)C1 ZINC000739582515 603105321 /nfs/dbraw/zinc/10/53/21/603105321.db2.gz BVTYUJHSAJMNNY-CABCVRRESA-N -1 1 389.408 1.087 20 0 GDADMM CN(C(=O)[O-])[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(Cc3ccc(C(=O)[O-])cc3)C2=O)C1 ZINC000739582515 603105323 /nfs/dbraw/zinc/10/53/23/603105323.db2.gz BVTYUJHSAJMNNY-CABCVRRESA-N -1 1 389.408 1.087 20 0 GDADMM CC(C)OC(=O)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824309701 607607888 /nfs/dbraw/zinc/60/78/88/607607888.db2.gz VWYIVDFRNMUSGN-UHFFFAOYSA-N -1 1 393.347 1.115 20 0 GDADMM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)Nc1cccc(CN2CCN(C)CC2)c1 ZINC000739199528 603122308 /nfs/dbraw/zinc/12/23/08/603122308.db2.gz HYUWHIBDCAVCDL-WMLDXEAASA-N -1 1 390.484 1.876 20 0 GDADMM C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)C(=O)Nc1ccccc1 ZINC000824640771 607612601 /nfs/dbraw/zinc/61/26/01/607612601.db2.gz OHEQZGBNILHREJ-SNVBAGLBSA-N -1 1 390.400 1.311 20 0 GDADMM C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)C(=O)Nc1ccccc1 ZINC000824640771 607612603 /nfs/dbraw/zinc/61/26/03/607612603.db2.gz OHEQZGBNILHREJ-SNVBAGLBSA-N -1 1 390.400 1.311 20 0 GDADMM O=S(=O)(Oc1cccc(-n2cccn2)c1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826493478 607621003 /nfs/dbraw/zinc/62/10/03/607621003.db2.gz MLENYIDTPCWVEH-UHFFFAOYSA-N -1 1 386.368 1.959 20 0 GDADMM Cc1noc(C)c1C[C@@H](C)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826338757 607622004 /nfs/dbraw/zinc/62/20/04/607622004.db2.gz HGPYUSVXPLVGOL-MRVPVSSYSA-N -1 1 380.405 1.520 20 0 GDADMM Cc1noc(C)c1C[C@@H](C)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826338757 607622006 /nfs/dbraw/zinc/62/20/06/607622006.db2.gz HGPYUSVXPLVGOL-MRVPVSSYSA-N -1 1 380.405 1.520 20 0 GDADMM Cc1noc(C)c1C[C@H](C)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826338758 607622129 /nfs/dbraw/zinc/62/21/29/607622129.db2.gz HGPYUSVXPLVGOL-QMMMGPOBSA-N -1 1 380.405 1.520 20 0 GDADMM Cc1noc(C)c1C[C@H](C)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826338758 607622131 /nfs/dbraw/zinc/62/21/31/607622131.db2.gz HGPYUSVXPLVGOL-QMMMGPOBSA-N -1 1 380.405 1.520 20 0 GDADMM CCN1CCN(c2ccc(CNC(=O)c3ccc(CNC(=O)[O-])o3)cn2)CC1 ZINC000827228586 603343283 /nfs/dbraw/zinc/34/32/83/603343283.db2.gz PWAPHRZXTCLWCC-UHFFFAOYSA-N -1 1 387.440 1.514 20 0 GDADMM O=S(=O)(c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)N1CCC[C@@H](O)C1 ZINC000826494570 607623458 /nfs/dbraw/zinc/62/34/58/607623458.db2.gz IEJYIXVCTPHDBI-SECBINFHSA-N -1 1 377.348 1.031 20 0 GDADMM C[C@@H]1CN(C(=O)CCn2c(=O)c3ccccc3[nH]c2=S)CC[C@H]1NC(=O)[O-] ZINC000739123894 603347854 /nfs/dbraw/zinc/34/78/54/603347854.db2.gz IDCQWGZPXIOESY-DGCLKSJQSA-N -1 1 390.465 1.580 20 0 GDADMM O=S(=O)(NC[C@@H](O)c1ccc(F)cc1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826489191 607625390 /nfs/dbraw/zinc/62/53/90/607625390.db2.gz JPHDAIMIHVZCCQ-CYBMUJFWSA-N -1 1 381.364 1.157 20 0 GDADMM O=S(=O)(Oc1cccc(-n2cncn2)c1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826493292 607620658 /nfs/dbraw/zinc/62/06/58/607620658.db2.gz DBZGGLUHLNITTQ-UHFFFAOYSA-N -1 1 387.356 1.354 20 0 GDADMM O=S(=O)(Oc1cccc(-n2cncn2)c1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826493292 607620659 /nfs/dbraw/zinc/62/06/59/607620659.db2.gz DBZGGLUHLNITTQ-UHFFFAOYSA-N -1 1 387.356 1.354 20 0 GDADMM O=S(=O)(NC[C@@H](O)c1ccc2ccccc2c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826489711 607625464 /nfs/dbraw/zinc/62/54/64/607625464.db2.gz XQKLWIRUVLIWPL-QGZVFWFLSA-N -1 1 396.432 1.427 20 0 GDADMM O=S(=O)(NC[C@@H](O)c1ccc2ccccc2c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826489711 607625465 /nfs/dbraw/zinc/62/54/65/607625465.db2.gz XQKLWIRUVLIWPL-QGZVFWFLSA-N -1 1 396.432 1.427 20 0 GDADMM O=S(=O)(NC[C@H](O)c1cccc(Cl)c1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826489733 607625583 /nfs/dbraw/zinc/62/55/83/607625583.db2.gz YCAXEUAERCEOER-ZDUSSCGKSA-N -1 1 397.819 1.671 20 0 GDADMM C[C@@H]1CN(CCCNC(=O)C(=O)Nc2ccc(NC(=O)[O-])cc2)C[C@H](C)O1 ZINC000739181649 603384048 /nfs/dbraw/zinc/38/40/48/603384048.db2.gz KOPJDPJIVHARJX-BETUJISGSA-N -1 1 378.429 1.331 20 0 GDADMM CC(C)C[C@@H](O)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824238011 607628950 /nfs/dbraw/zinc/62/89/50/607628950.db2.gz YDABFVQCHOQEBI-SNVBAGLBSA-N -1 1 393.391 1.571 20 0 GDADMM C[C@](CO)(NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)c1ccccc1 ZINC000824434444 607629164 /nfs/dbraw/zinc/62/91/64/607629164.db2.gz KBSBGUOAQOZWIM-MRXNPFEDSA-N -1 1 393.856 1.706 20 0 GDADMM CN(C(=O)[O-])[C@H]1CCN(C(=O)CCn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000827840402 603546252 /nfs/dbraw/zinc/54/62/52/603546252.db2.gz BDEDEFMGPBYEMY-NSHDSACASA-N -1 1 376.438 1.286 20 0 GDADMM CCC[C@@H]1CC(=O)N(CN2CCC[C@H](C(=O)N3CCN(C(=O)[O-])CC3)C2)C1 ZINC000826770292 603594592 /nfs/dbraw/zinc/59/45/92/603594592.db2.gz YGSLURBYXROFSF-CVEARBPZSA-N -1 1 380.489 1.127 20 0 GDADMM CCC[C@H]1CC(=O)N(CN2CCC[C@H](C(=O)N3CCN(C(=O)[O-])CC3)C2)C1 ZINC000826770299 603594636 /nfs/dbraw/zinc/59/46/36/603594636.db2.gz YGSLURBYXROFSF-HOTGVXAUSA-N -1 1 380.489 1.127 20 0 GDADMM O=C([O-])N1CCN2C(=O)N(CN3CC[C@@H](COCc4ccccc4)C3)C[C@H]2C1 ZINC000832042156 603608573 /nfs/dbraw/zinc/60/85/73/603608573.db2.gz JVOXMGBUZCAYDL-QZTJIDSGSA-N -1 1 388.468 1.582 20 0 GDADMM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)NCc1cccnc1N1CCN(C)CC1 ZINC000824196744 603626544 /nfs/dbraw/zinc/62/65/44/603626544.db2.gz NBFLNSXFZCZNBA-INIZCTEOSA-N -1 1 392.504 1.315 20 0 GDADMM COc1ccc([C@H](CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])N2CCCCC2)cc1 ZINC000829311576 603633263 /nfs/dbraw/zinc/63/32/63/603633263.db2.gz NRMXLBQMUIRZFV-SZMVWBNQSA-N -1 1 391.468 1.452 20 0 GDADMM COc1cc(CCNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)ccc1C ZINC000826179101 607643787 /nfs/dbraw/zinc/64/37/87/607643787.db2.gz ZHFRZZVBZFMUMY-UHFFFAOYSA-N -1 1 391.428 1.844 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccnc(N3CCN(C)CC3)c2)[C@H]1CNC(=O)[O-] ZINC000825918041 603692429 /nfs/dbraw/zinc/69/24/29/603692429.db2.gz BKQLASKVIBHYET-ZBFHGGJFSA-N -1 1 375.473 1.342 20 0 GDADMM COc1cccc([C@H](CO)NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826215589 607645768 /nfs/dbraw/zinc/64/57/68/607645768.db2.gz UBJFWNYDTBHBMS-ZDUSSCGKSA-N -1 1 393.400 1.026 20 0 GDADMM COc1cccc([C@H](CO)NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826215589 607645770 /nfs/dbraw/zinc/64/57/70/607645770.db2.gz UBJFWNYDTBHBMS-ZDUSSCGKSA-N -1 1 393.400 1.026 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)CCN2CCN(c3ccccn3)CC2)C1)C(=O)[O-] ZINC000828245226 603753500 /nfs/dbraw/zinc/75/35/00/603753500.db2.gz FOPVZEWKRZHURT-INIZCTEOSA-N -1 1 375.473 1.052 20 0 GDADMM CN1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c2cc(F)ccc21 ZINC000826038522 607653144 /nfs/dbraw/zinc/65/31/44/607653144.db2.gz QFPJPAPWIAJNJE-UHFFFAOYSA-N -1 1 392.391 1.790 20 0 GDADMM 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ZINC000823154816 606117876 /nfs/dbraw/zinc/11/78/76/606117876.db2.gz KTMUWXIHBRKZNC-QGZVFWFLSA-N -1 1 391.435 1.225 20 0 GDADMM O=C(N[C@@H]1CCN(CCCc2ccccc2)C1=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000823154816 606117877 /nfs/dbraw/zinc/11/78/77/606117877.db2.gz KTMUWXIHBRKZNC-QGZVFWFLSA-N -1 1 391.435 1.225 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc2c(c1)CCC(=O)N2 ZINC000823530711 606134944 /nfs/dbraw/zinc/13/49/44/606134944.db2.gz PTALUXSUILBESY-UHFFFAOYSA-N -1 1 383.389 1.853 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc2c(c1)CCC(=O)N2 ZINC000823530711 606134947 /nfs/dbraw/zinc/13/49/47/606134947.db2.gz PTALUXSUILBESY-UHFFFAOYSA-N -1 1 383.389 1.853 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000823396938 606135976 /nfs/dbraw/zinc/13/59/76/606135976.db2.gz PELFFWWPYNGZTE-WDEREUQCSA-N -1 1 377.426 1.255 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000823396938 606135977 /nfs/dbraw/zinc/13/59/77/606135977.db2.gz PELFFWWPYNGZTE-WDEREUQCSA-N -1 1 377.426 1.255 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)n1 ZINC000822609685 606157341 /nfs/dbraw/zinc/15/73/41/606157341.db2.gz VDCOVDQSIPIQBW-OAHLLOKOSA-N -1 1 396.411 1.644 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)n1 ZINC000822609685 606157342 /nfs/dbraw/zinc/15/73/42/606157342.db2.gz VDCOVDQSIPIQBW-OAHLLOKOSA-N -1 1 396.411 1.644 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CC[C@H](COCc3ccccc3)C2)n1 ZINC000822609650 606163327 /nfs/dbraw/zinc/16/33/27/606163327.db2.gz SYNUUWDSJCAOHQ-AWEZNQCLSA-N -1 1 382.428 1.671 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CC[C@H](COCc3ccccc3)C2)n1 ZINC000822609650 606163329 /nfs/dbraw/zinc/16/33/29/606163329.db2.gz SYNUUWDSJCAOHQ-AWEZNQCLSA-N -1 1 382.428 1.671 20 0 GDADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1nc(-c2cccc(F)c2)no1 ZINC000820380023 606165154 /nfs/dbraw/zinc/16/51/54/606165154.db2.gz JXBKRAHLWMXLNS-MRVPVSSYSA-N -1 1 398.362 1.672 20 0 GDADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1nc(-c2cccc(F)c2)no1 ZINC000820380023 606165155 /nfs/dbraw/zinc/16/51/55/606165155.db2.gz JXBKRAHLWMXLNS-MRVPVSSYSA-N -1 1 398.362 1.672 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H](CN2CCCC2=O)c2ccccc2)n1 ZINC000822609055 606165636 /nfs/dbraw/zinc/16/56/36/606165636.db2.gz IMPIMTAXCWTCDR-CQSZACIVSA-N -1 1 395.427 1.085 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H](CN2CCCC2=O)c2ccccc2)n1 ZINC000822609055 606165637 /nfs/dbraw/zinc/16/56/37/606165637.db2.gz IMPIMTAXCWTCDR-CQSZACIVSA-N -1 1 395.427 1.085 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCOc2ccc3ccccc3c2)n1 ZINC000822619814 606167626 /nfs/dbraw/zinc/16/76/26/606167626.db2.gz GRFNWWTXDHTFNN-UHFFFAOYSA-N -1 1 378.396 1.954 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCOc2ccc3ccccc3c2)n1 ZINC000822619814 606167628 /nfs/dbraw/zinc/16/76/28/606167628.db2.gz GRFNWWTXDHTFNN-UHFFFAOYSA-N -1 1 378.396 1.954 20 0 GDADMM COc1cc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)ccc1OC(F)F ZINC000821716617 606169724 /nfs/dbraw/zinc/16/97/24/606169724.db2.gz CBGBNTRXUPDZPZ-UHFFFAOYSA-N -1 1 394.342 1.532 20 0 GDADMM COc1cc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)ccc1OC(F)F ZINC000821716617 606169726 /nfs/dbraw/zinc/16/97/26/606169726.db2.gz CBGBNTRXUPDZPZ-UHFFFAOYSA-N -1 1 394.342 1.532 20 0 GDADMM CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC000821571679 606170127 /nfs/dbraw/zinc/17/01/27/606170127.db2.gz AHFOQFNJBGADFX-JTQLQIEISA-N -1 1 391.436 1.073 20 0 GDADMM CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC000821571679 606170128 /nfs/dbraw/zinc/17/01/28/606170128.db2.gz AHFOQFNJBGADFX-JTQLQIEISA-N -1 1 391.436 1.073 20 0 GDADMM CC(C)[C@@H](CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)NC(=O)OC(C)(C)C ZINC000820021829 606172411 /nfs/dbraw/zinc/17/24/11/606172411.db2.gz ZEOJYEXXRHNCRX-LLVKDONJSA-N -1 1 393.452 1.271 20 0 GDADMM CC(C)[C@@H](CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)NC(=O)OC(C)(C)C ZINC000820021829 606172412 /nfs/dbraw/zinc/17/24/12/606172412.db2.gz ZEOJYEXXRHNCRX-LLVKDONJSA-N -1 1 393.452 1.271 20 0 GDADMM CN1C[C@@H](NC(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)CC1=O ZINC000821622132 606174717 /nfs/dbraw/zinc/17/47/17/606174717.db2.gz SWMBSQUZZKPJEA-ZDUSSCGKSA-N -1 1 397.464 1.625 20 0 GDADMM CCC[C@H](CCO)CNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821020363 606193835 /nfs/dbraw/zinc/19/38/35/606193835.db2.gz BPLIELDVHJBIRJ-CYBMUJFWSA-N -1 1 376.461 1.432 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000823294789 606195440 /nfs/dbraw/zinc/19/54/40/606195440.db2.gz RIMNCKMMIXTAAP-MRXNPFEDSA-N -1 1 394.391 1.942 20 0 GDADMM Cc1cc(NC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)sn1 ZINC000822207249 606197012 /nfs/dbraw/zinc/19/70/12/606197012.db2.gz PLTUVGAHICDLAC-UHFFFAOYSA-N -1 1 383.441 1.862 20 0 GDADMM Cc1cc(NC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)sn1 ZINC000822207249 606197013 /nfs/dbraw/zinc/19/70/13/606197013.db2.gz PLTUVGAHICDLAC-UHFFFAOYSA-N -1 1 383.441 1.862 20 0 GDADMM C[C@H](C(=O)OC(C)(C)C)N(C)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000819883736 606201578 /nfs/dbraw/zinc/20/15/78/606201578.db2.gz LSSZTQLOBWOZKP-SECBINFHSA-N -1 1 385.421 1.357 20 0 GDADMM O=C(CCOCC1CC1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000822974503 606279297 /nfs/dbraw/zinc/27/92/97/606279297.db2.gz PPTJERPEVWFBMJ-UHFFFAOYSA-N -1 1 387.444 1.197 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000823518872 606296322 /nfs/dbraw/zinc/29/63/22/606296322.db2.gz ARPWHPTXQALAOZ-CYBMUJFWSA-N -1 1 392.375 1.030 20 0 GDADMM O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823055391 606296955 /nfs/dbraw/zinc/29/69/55/606296955.db2.gz ODPHQOMGXJGDGD-UHFFFAOYSA-N -1 1 393.812 1.638 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1nn(-c2ccc(F)cc2)ccc1=O ZINC000823294856 606296961 /nfs/dbraw/zinc/29/69/61/606296961.db2.gz UWHQDZIGCYUCMU-UHFFFAOYSA-N -1 1 393.338 1.510 20 0 GDADMM COC(=O)[C@H](OC(=O)c1c([O-])cc(F)cc1F)c1cccc(-c2nn[nH]n2)c1 ZINC000821648686 606373816 /nfs/dbraw/zinc/37/38/16/606373816.db2.gz PXEHVDOIRZYMAI-CQSZACIVSA-N -1 1 390.302 1.922 20 0 GDADMM O=C1CCC(c2ccc([N-]S(=O)(=O)c3cccc(-c4nn[nH]n4)c3)cc2)=NN1 ZINC000823524833 606431166 /nfs/dbraw/zinc/43/11/66/606431166.db2.gz CKQDLDNUTOEZTR-UHFFFAOYSA-N -1 1 397.420 1.282 20 0 GDADMM CCO[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1(CC)CC ZINC000821358961 606437301 /nfs/dbraw/zinc/43/73/01/606437301.db2.gz LVXKKBQJADOYPM-LSDHHAIUSA-N -1 1 394.501 1.866 20 0 GDADMM CCO[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1(CC)CC ZINC000821358961 606437303 /nfs/dbraw/zinc/43/73/03/606437303.db2.gz LVXKKBQJADOYPM-LSDHHAIUSA-N -1 1 394.501 1.866 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1cncc(Br)c1 ZINC000821601420 606442834 /nfs/dbraw/zinc/44/28/34/606442834.db2.gz GNEPBJPBCNZGBH-UHFFFAOYSA-N -1 1 378.238 1.399 20 0 GDADMM CCc1nc(Cl)c(C)c(N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)n1 ZINC000821509456 606442916 /nfs/dbraw/zinc/44/29/16/606442916.db2.gz HKEHHLFBXZRSAL-UHFFFAOYSA-N -1 1 376.856 1.555 20 0 GDADMM CCc1nc(Cl)c(C)c(N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)n1 ZINC000821509456 606442917 /nfs/dbraw/zinc/44/29/17/606442917.db2.gz HKEHHLFBXZRSAL-UHFFFAOYSA-N -1 1 376.856 1.555 20 0 GDADMM CNS(=O)(=O)c1ccc([C@@H](C)Nc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000821637437 606458755 /nfs/dbraw/zinc/45/87/55/606458755.db2.gz GEHLWAQPWNUUOS-SECBINFHSA-N -1 1 393.860 1.996 20 0 GDADMM CNS(=O)(=O)c1ccc([C@@H](C)Nc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000821637437 606458756 /nfs/dbraw/zinc/45/87/56/606458756.db2.gz GEHLWAQPWNUUOS-SECBINFHSA-N -1 1 393.860 1.996 20 0 GDADMM C[C@H]1CN(S(C)(=O)=O)CC[C@H]1Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000820768580 606472299 /nfs/dbraw/zinc/47/22/99/606472299.db2.gz OFGVXYCNTDZOHM-WCQYABFASA-N -1 1 387.469 1.497 20 0 GDADMM C[C@H]1CN(S(C)(=O)=O)CC[C@H]1Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000820768580 606472300 /nfs/dbraw/zinc/47/23/00/606472300.db2.gz OFGVXYCNTDZOHM-WCQYABFASA-N -1 1 387.469 1.497 20 0 GDADMM C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000820770193 606473431 /nfs/dbraw/zinc/47/34/31/606473431.db2.gz ZKPLKJSIYNMJSV-BQBZGAKWSA-N -1 1 377.883 1.059 20 0 GDADMM C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000820770193 606473433 /nfs/dbraw/zinc/47/34/33/606473433.db2.gz ZKPLKJSIYNMJSV-BQBZGAKWSA-N -1 1 377.883 1.059 20 0 GDADMM O=C(NC[C@H](c1cccs1)N1CCOCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823166945 606492798 /nfs/dbraw/zinc/49/27/98/606492798.db2.gz UQNZJUHLSHBLPC-LLVKDONJSA-N -1 1 390.494 1.793 20 0 GDADMM O=C(NC[C@H](c1cccs1)N1CCOCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823166945 606492799 /nfs/dbraw/zinc/49/27/99/606492799.db2.gz UQNZJUHLSHBLPC-LLVKDONJSA-N -1 1 390.494 1.793 20 0 GDADMM COc1cc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)cc(OC)c1OC ZINC000821716548 606497125 /nfs/dbraw/zinc/49/71/25/606497125.db2.gz ABBWEGRQFOEBSQ-UHFFFAOYSA-N -1 1 375.410 1.884 20 0 GDADMM COc1cc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)cc(OC)c1OC ZINC000821716548 606497126 /nfs/dbraw/zinc/49/71/26/606497126.db2.gz ABBWEGRQFOEBSQ-UHFFFAOYSA-N -1 1 375.410 1.884 20 0 GDADMM COc1cc(CCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc(OC)c1OC ZINC000821712078 606518521 /nfs/dbraw/zinc/51/85/21/606518521.db2.gz CLDKHGLVABIOQP-UHFFFAOYSA-N -1 1 399.407 1.964 20 0 GDADMM COc1cc(CCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc(OC)c1OC ZINC000821712078 606518523 /nfs/dbraw/zinc/51/85/23/606518523.db2.gz CLDKHGLVABIOQP-UHFFFAOYSA-N -1 1 399.407 1.964 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(OCC(F)(F)F)nc1 ZINC000823436249 606519097 /nfs/dbraw/zinc/51/90/97/606519097.db2.gz NRBRNGVPFMOWLU-UHFFFAOYSA-N -1 1 380.286 1.955 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(OCC(F)(F)F)nc1 ZINC000823436249 606519098 /nfs/dbraw/zinc/51/90/98/606519098.db2.gz NRBRNGVPFMOWLU-UHFFFAOYSA-N -1 1 380.286 1.955 20 0 GDADMM COc1ccc(NC(=O)c2cc(-c3nn[nH]n3)cs2)cc1[N-]S(C)(=O)=O ZINC000821835970 606535449 /nfs/dbraw/zinc/53/54/49/606535449.db2.gz VSVAXKCKLVAEIO-UHFFFAOYSA-N -1 1 394.438 1.561 20 0 GDADMM Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1NS(C)(=O)=O ZINC000822254504 606536536 /nfs/dbraw/zinc/53/65/36/606536536.db2.gz LNWREUGMUVGSGF-UHFFFAOYSA-N -1 1 378.439 1.860 20 0 GDADMM Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1NS(C)(=O)=O ZINC000822254504 606536537 /nfs/dbraw/zinc/53/65/37/606536537.db2.gz LNWREUGMUVGSGF-UHFFFAOYSA-N -1 1 378.439 1.860 20 0 GDADMM CCOc1ccnc(N2CCN(C(=O)c3ccc(-c4nnn[n-]4)s3)CC2)n1 ZINC000821437205 606552979 /nfs/dbraw/zinc/55/29/79/606552979.db2.gz LICJRESNELJQLE-UHFFFAOYSA-N -1 1 386.441 1.079 20 0 GDADMM CCOc1ccnc(N2CCN(C(=O)c3ccc(-c4nn[n-]n4)s3)CC2)n1 ZINC000821437205 606552981 /nfs/dbraw/zinc/55/29/81/606552981.db2.gz LICJRESNELJQLE-UHFFFAOYSA-N -1 1 386.441 1.079 20 0 GDADMM CN(c1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)cc1)S(C)(=O)=O ZINC000821619042 606558413 /nfs/dbraw/zinc/55/84/13/606558413.db2.gz GWGWOKHRDFZYSL-UHFFFAOYSA-N -1 1 392.466 1.254 20 0 GDADMM CN(c1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)cc1)S(C)(=O)=O ZINC000821619042 606558414 /nfs/dbraw/zinc/55/84/14/606558414.db2.gz GWGWOKHRDFZYSL-UHFFFAOYSA-N -1 1 392.466 1.254 20 0 GDADMM Cc1ccc(N2CCC[C@@H](N(C)C(=O)c3ccc(-c4nnn[n-]4)s3)C2)nn1 ZINC000822241450 606566804 /nfs/dbraw/zinc/56/68/04/606566804.db2.gz XDESLMPDIOZYJP-GFCCVEGCSA-N -1 1 384.469 1.768 20 0 GDADMM Cc1ccc(N2CCC[C@@H](N(C)C(=O)c3ccc(-c4nn[n-]n4)s3)C2)nn1 ZINC000822241450 606566805 /nfs/dbraw/zinc/56/68/05/606566805.db2.gz XDESLMPDIOZYJP-GFCCVEGCSA-N -1 1 384.469 1.768 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H](C)Cc1ccncc1 ZINC000822006147 606588385 /nfs/dbraw/zinc/58/83/85/606588385.db2.gz YIQKFJJFFWUULZ-NSHDSACASA-N -1 1 381.440 1.659 20 0 GDADMM Cc1ccc(-n2cc(C(=O)Nc3nn(C(C)(C)C)cc3-c3nnn[n-]3)nn2)cc1 ZINC000822224065 606591644 /nfs/dbraw/zinc/59/16/44/606591644.db2.gz VBLHFZYWKNOBFC-UHFFFAOYSA-N -1 1 392.427 1.960 20 0 GDADMM Cc1ccc(-n2cc(C(=O)Nc3nn(C(C)(C)C)cc3-c3nn[n-]n3)nn2)cc1 ZINC000822224065 606591645 /nfs/dbraw/zinc/59/16/45/606591645.db2.gz VBLHFZYWKNOBFC-UHFFFAOYSA-N -1 1 392.427 1.960 20 0 GDADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)C1(N2CCOCC2)CCCC1 ZINC000820391928 606598599 /nfs/dbraw/zinc/59/85/99/606598599.db2.gz SAFWEAJWTLIGTM-GFCCVEGCSA-N -1 1 376.486 1.692 20 0 GDADMM CO[C@@H]1C[C@H](NC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)C1(C)C ZINC000821678436 606604764 /nfs/dbraw/zinc/60/47/64/606604764.db2.gz NSKMYPTWMOZFPY-LSDHHAIUSA-N -1 1 398.471 1.389 20 0 GDADMM CO[C@@H]1C[C@H](NC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)C1(C)C ZINC000821678436 606604766 /nfs/dbraw/zinc/60/47/66/606604766.db2.gz NSKMYPTWMOZFPY-LSDHHAIUSA-N -1 1 398.471 1.389 20 0 GDADMM Cc1oc(NC(=O)COC(=O)C=Cc2cccc(O)c2)c(-c2nn[n-]n2)c1C ZINC000822548336 606616177 /nfs/dbraw/zinc/61/61/77/606616177.db2.gz IPXGVUNANKGHCM-SREVYHEPSA-N -1 1 383.364 1.977 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCOc2ccncc21 ZINC000823607408 606629389 /nfs/dbraw/zinc/62/93/89/606629389.db2.gz UMJFPTWNBBXMHI-UHFFFAOYSA-N -1 1 378.801 1.503 20 0 GDADMM O=C(OCCNc1ccc(-c2ccccc2)nn1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823405113 606629650 /nfs/dbraw/zinc/62/96/50/606629650.db2.gz JBYXZXCCBCDRLR-UHFFFAOYSA-N -1 1 388.391 1.988 20 0 GDADMM O=C(OCCNc1ccc(-c2ccccc2)nn1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823405113 606629652 /nfs/dbraw/zinc/62/96/52/606629652.db2.gz JBYXZXCCBCDRLR-UHFFFAOYSA-N -1 1 388.391 1.988 20 0 GDADMM O=C(Nc1cccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1)[C@@H]1CCCO1 ZINC000823436086 606647669 /nfs/dbraw/zinc/64/76/69/606647669.db2.gz GFPCERMNJCHHBZ-INIZCTEOSA-N -1 1 394.391 1.736 20 0 GDADMM O=C(Nc1cccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1)[C@@H]1CCCO1 ZINC000823436086 606647670 /nfs/dbraw/zinc/64/76/70/606647670.db2.gz GFPCERMNJCHHBZ-INIZCTEOSA-N -1 1 394.391 1.736 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc2c(c1)nc1n(c2=O)CCC1 ZINC000823436210 606652286 /nfs/dbraw/zinc/65/22/86/606652286.db2.gz MCBUTTIGXAQOGK-UHFFFAOYSA-N -1 1 389.375 1.275 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc2c(c1)nc1n(c2=O)CCC1 ZINC000823436210 606652287 /nfs/dbraw/zinc/65/22/87/606652287.db2.gz MCBUTTIGXAQOGK-UHFFFAOYSA-N -1 1 389.375 1.275 20 0 GDADMM CCCCC(=O)N1CSC[C@@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821040481 606653136 /nfs/dbraw/zinc/65/31/36/606653136.db2.gz MFVALDQRZWMKJV-CYBMUJFWSA-N -1 1 376.442 1.397 20 0 GDADMM CCCCC(=O)N1CSC[C@@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821040481 606653137 /nfs/dbraw/zinc/65/31/37/606653137.db2.gz MFVALDQRZWMKJV-CYBMUJFWSA-N -1 1 376.442 1.397 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000823436398 606653907 /nfs/dbraw/zinc/65/39/07/606653907.db2.gz TZDWGUINXUSAAV-HNNXBMFYSA-N -1 1 393.407 1.252 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000823436398 606653908 /nfs/dbraw/zinc/65/39/08/606653908.db2.gz TZDWGUINXUSAAV-HNNXBMFYSA-N -1 1 393.407 1.252 20 0 GDADMM CCO[C@H]1C[C@H](N(C)C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C1(C)C ZINC000821361158 606658323 /nfs/dbraw/zinc/65/83/23/606658323.db2.gz TVIFEDHGINNVCV-RYUDHWBXSA-N -1 1 392.485 1.965 20 0 GDADMM C[C@H](C(=O)N1CCCC1)N1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000819857316 606730464 /nfs/dbraw/zinc/73/04/64/606730464.db2.gz QZHCJPIZTAWICL-SNVBAGLBSA-N -1 1 396.908 1.110 20 0 GDADMM C[C@H](C(=O)N1CCCC1)N1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000819857316 606730466 /nfs/dbraw/zinc/73/04/66/606730466.db2.gz QZHCJPIZTAWICL-SNVBAGLBSA-N -1 1 396.908 1.110 20 0 GDADMM C[C@@H](C(=O)N1CCCC1)N1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000819857314 606730530 /nfs/dbraw/zinc/73/05/30/606730530.db2.gz QZHCJPIZTAWICL-JTQLQIEISA-N -1 1 396.908 1.110 20 0 GDADMM C[C@@H](C(=O)N1CCCC1)N1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000819857314 606730532 /nfs/dbraw/zinc/73/05/32/606730532.db2.gz QZHCJPIZTAWICL-JTQLQIEISA-N -1 1 396.908 1.110 20 0 GDADMM COc1ccc(CCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c(Cl)c1 ZINC000821790475 606736561 /nfs/dbraw/zinc/73/65/61/606736561.db2.gz ONZPHJXPBPYLOK-UHFFFAOYSA-N -1 1 394.844 1.445 20 0 GDADMM COc1ccc(CCNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c(Cl)c1 ZINC000821790475 606736564 /nfs/dbraw/zinc/73/65/64/606736564.db2.gz ONZPHJXPBPYLOK-UHFFFAOYSA-N -1 1 394.844 1.445 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000822005843 606754327 /nfs/dbraw/zinc/75/43/27/606754327.db2.gz ULPPOXQRNHQMMN-KFWWJZLASA-N -1 1 386.456 1.591 20 0 GDADMM Cc1ccc(NC(=O)CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cc1 ZINC000822242820 606786172 /nfs/dbraw/zinc/78/61/72/606786172.db2.gz YRBSOKDSYFXPTH-CQSZACIVSA-N -1 1 393.455 1.114 20 0 GDADMM Cc1ccc(NC(=O)CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cc1 ZINC000822242820 606786174 /nfs/dbraw/zinc/78/61/74/606786174.db2.gz YRBSOKDSYFXPTH-CQSZACIVSA-N -1 1 393.455 1.114 20 0 GDADMM CC[C@@H]1CCC[C@@H](NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)C1 ZINC000820971792 606794146 /nfs/dbraw/zinc/79/41/46/606794146.db2.gz GBTNZKMLRSBVHE-RBSFLKMASA-N -1 1 399.503 1.846 20 0 GDADMM CC[C@@H]1CCC[C@@H](NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)C1 ZINC000820971792 606794148 /nfs/dbraw/zinc/79/41/48/606794148.db2.gz GBTNZKMLRSBVHE-RBSFLKMASA-N -1 1 399.503 1.846 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1ccnc(C(C)(C)C)n1 ZINC000820804410 606807475 /nfs/dbraw/zinc/80/74/75/606807475.db2.gz RVYYEPYZXSBLPJ-GFCCVEGCSA-N -1 1 380.460 1.459 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1ccnc(C(C)(C)C)n1 ZINC000820804410 606807477 /nfs/dbraw/zinc/80/74/77/606807477.db2.gz RVYYEPYZXSBLPJ-GFCCVEGCSA-N -1 1 380.460 1.459 20 0 GDADMM Cc1ccc(Cl)c(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000822240041 606807524 /nfs/dbraw/zinc/80/75/24/606807524.db2.gz PLCHCRZNDHJNFW-UHFFFAOYSA-N -1 1 375.824 1.888 20 0 GDADMM Cc1ccc(Cl)c(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000822240041 606807526 /nfs/dbraw/zinc/80/75/26/606807526.db2.gz PLCHCRZNDHJNFW-UHFFFAOYSA-N -1 1 375.824 1.888 20 0 GDADMM COc1ccccc1N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)C1=O ZINC000821899255 606816186 /nfs/dbraw/zinc/81/61/86/606816186.db2.gz WERMTZUMDWMYSV-JTQLQIEISA-N -1 1 384.421 1.472 20 0 GDADMM COc1ccccc1N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)C1=O ZINC000821899255 606816188 /nfs/dbraw/zinc/81/61/88/606816188.db2.gz WERMTZUMDWMYSV-JTQLQIEISA-N -1 1 384.421 1.472 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCOc1ccccc1 ZINC000820775484 606818638 /nfs/dbraw/zinc/81/86/38/606818638.db2.gz IIKJHDUIFCVERA-CQSZACIVSA-N -1 1 394.439 1.163 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCOc1ccccc1 ZINC000820775484 606818640 /nfs/dbraw/zinc/81/86/40/606818640.db2.gz IIKJHDUIFCVERA-CQSZACIVSA-N -1 1 394.439 1.163 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)Cc1ccccc1Cl ZINC000820776260 606818724 /nfs/dbraw/zinc/81/87/24/606818724.db2.gz LIGNHZYNLHEJEA-LBPRGKRZSA-N -1 1 398.858 1.590 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)Cc1ccccc1Cl ZINC000820776260 606818725 /nfs/dbraw/zinc/81/87/25/606818725.db2.gz LIGNHZYNLHEJEA-LBPRGKRZSA-N -1 1 398.858 1.590 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820298803 606819363 /nfs/dbraw/zinc/81/93/63/606819363.db2.gz AKLXZPCUOZPEIP-HUUCEWRRSA-N -1 1 392.467 1.573 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820298803 606819364 /nfs/dbraw/zinc/81/93/64/606819364.db2.gz AKLXZPCUOZPEIP-HUUCEWRRSA-N -1 1 392.467 1.573 20 0 GDADMM COc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c(F)c1 ZINC000821769980 606820611 /nfs/dbraw/zinc/82/06/11/606820611.db2.gz MLGSKBSWDZRCPP-LLVKDONJSA-N -1 1 398.402 1.155 20 0 GDADMM COc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c(F)c1 ZINC000821769980 606820612 /nfs/dbraw/zinc/82/06/12/606820612.db2.gz MLGSKBSWDZRCPP-LLVKDONJSA-N -1 1 398.402 1.155 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc(F)cc(F)c1 ZINC000820788365 606823803 /nfs/dbraw/zinc/82/38/03/606823803.db2.gz FFILXENBWWJOJJ-JTQLQIEISA-N -1 1 386.366 1.286 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc(F)cc(F)c1 ZINC000820788365 606823804 /nfs/dbraw/zinc/82/38/04/606823804.db2.gz FFILXENBWWJOJJ-JTQLQIEISA-N -1 1 386.366 1.286 20 0 GDADMM C[C@@H]1CCC[C@H](CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)C1 ZINC000820696948 606824362 /nfs/dbraw/zinc/82/43/62/606824362.db2.gz DEOPHZAWPLMOQV-KFWWJZLASA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCC[C@H](CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)C1 ZINC000820696948 606824364 /nfs/dbraw/zinc/82/43/64/606824364.db2.gz DEOPHZAWPLMOQV-KFWWJZLASA-N -1 1 384.488 1.910 20 0 GDADMM COC(=O)[C@H](NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)C(C)(C)C ZINC000821640370 606835342 /nfs/dbraw/zinc/83/53/42/606835342.db2.gz HKWMYRAKCDVKRM-VIFPVBQESA-N -1 1 380.430 1.007 20 0 GDADMM CSc1cc(C)ccc1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821979540 606846919 /nfs/dbraw/zinc/84/69/19/606846919.db2.gz TUVYHFSDXOJSIJ-UHFFFAOYSA-N -1 1 376.467 1.771 20 0 GDADMM CSc1cc(C)ccc1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821979540 606846920 /nfs/dbraw/zinc/84/69/20/606846920.db2.gz TUVYHFSDXOJSIJ-UHFFFAOYSA-N -1 1 376.467 1.771 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCO[C@@H](c2ccsc2)C1 ZINC000823607441 606940899 /nfs/dbraw/zinc/94/08/99/606940899.db2.gz VREGLRFQOFZPJW-CYBMUJFWSA-N -1 1 395.441 1.830 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000823605754 607007623 /nfs/dbraw/zinc/00/76/23/607007623.db2.gz AUQRCBPDVQOAST-BDJLRTHQSA-N -1 1 397.888 1.836 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000823605754 607007625 /nfs/dbraw/zinc/00/76/25/607007625.db2.gz AUQRCBPDVQOAST-BDJLRTHQSA-N -1 1 397.888 1.836 20 0 GDADMM COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000821667148 607023981 /nfs/dbraw/zinc/02/39/81/607023981.db2.gz XBVIILPMGBFXSY-UHFFFAOYSA-N -1 1 389.397 1.130 20 0 GDADMM COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000821667148 607023983 /nfs/dbraw/zinc/02/39/83/607023983.db2.gz XBVIILPMGBFXSY-UHFFFAOYSA-N -1 1 389.397 1.130 20 0 GDADMM COC(=O)C(C)(C)[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccccc1 ZINC000821637627 607070313 /nfs/dbraw/zinc/07/03/13/607070313.db2.gz NJIWGWFRXAEOMR-ZDUSSCGKSA-N -1 1 398.427 1.662 20 0 GDADMM COC(=O)C(C)(C)[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccccc1 ZINC000821637627 607070314 /nfs/dbraw/zinc/07/03/14/607070314.db2.gz NJIWGWFRXAEOMR-ZDUSSCGKSA-N -1 1 398.427 1.662 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CC[C@@H](OCC(C)C)C2)cc1-c1nn[n-]n1 ZINC000821969697 607080784 /nfs/dbraw/zinc/08/07/84/607080784.db2.gz DPSGIFURGNJRHH-SNVBAGLBSA-N -1 1 378.458 1.576 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC2CCC(C)(c3ccccc3)CC2)n(C)c1=O ZINC000822599904 607133011 /nfs/dbraw/zinc/13/30/11/607133011.db2.gz HYHLWEYCSLFGNX-UHFFFAOYSA-N -1 1 395.467 1.577 20 0 GDADMM COc1cc(NC(=O)CCn2cnc(-c3nn[n-]n3)n2)c(OC)cc1Cl ZINC000821720514 607160673 /nfs/dbraw/zinc/16/06/73/607160673.db2.gz UGLXIVAEJXOLPC-UHFFFAOYSA-N -1 1 378.780 1.158 20 0 GDADMM COC(=O)c1cncc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)c1 ZINC000821671376 607187783 /nfs/dbraw/zinc/18/77/83/607187783.db2.gz TXVXZRGPHWHVMU-UHFFFAOYSA-N -1 1 393.363 1.993 20 0 GDADMM COC(=O)c1cncc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)c1 ZINC000821671376 607187784 /nfs/dbraw/zinc/18/77/84/607187784.db2.gz TXVXZRGPHWHVMU-UHFFFAOYSA-N -1 1 393.363 1.993 20 0 GDADMM C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000820703503 607208901 /nfs/dbraw/zinc/20/89/01/607208901.db2.gz GLQKWWMULIYMOW-LBPRGKRZSA-N -1 1 395.427 1.112 20 0 GDADMM CCC(=O)Nc1ccc(Cl)c(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000820837420 607209651 /nfs/dbraw/zinc/20/96/51/607209651.db2.gz IVDBEOUKHGERHB-UHFFFAOYSA-N -1 1 375.780 1.099 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000823123073 607209785 /nfs/dbraw/zinc/20/97/85/607209785.db2.gz MSNMHNBWAYDEAN-RNFRBKRXSA-N -1 1 398.271 1.048 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1ccc(Oc2ccccc2)cc1 ZINC000823131729 607213381 /nfs/dbraw/zinc/21/33/81/607213381.db2.gz MTHKUQNZMCYBCR-UHFFFAOYSA-N -1 1 376.380 1.567 20 0 GDADMM C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820293555 607216416 /nfs/dbraw/zinc/21/64/16/607216416.db2.gz MQCKZXMLWPBAAO-SECBINFHSA-N -1 1 380.334 1.224 20 0 GDADMM Cc1cccc(Oc2ccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)cn2)c1C ZINC000822331929 607217669 /nfs/dbraw/zinc/21/76/69/607217669.db2.gz JOAHQUVVXWRIAE-UHFFFAOYSA-N -1 1 391.395 1.901 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1nc(C=Cc2ccccc2)cs1 ZINC000823136303 607218507 /nfs/dbraw/zinc/21/85/07/607218507.db2.gz USBNOBJQPVUTIY-VOTSOKGWSA-N -1 1 379.409 1.724 20 0 GDADMM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822207437 607223253 /nfs/dbraw/zinc/22/32/53/607223253.db2.gz WGOWOBGHIZNSPX-CYBMUJFWSA-N -1 1 381.444 1.784 20 0 GDADMM O=C(Nc1ccc2nc(N3CCOCC3)oc2c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823355557 607225491 /nfs/dbraw/zinc/22/54/91/607225491.db2.gz FERBCYRVGGUGOM-UHFFFAOYSA-N -1 1 392.379 1.492 20 0 GDADMM O=C(Nc1ccc2nc(N3CCOCC3)oc2c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823355557 607225492 /nfs/dbraw/zinc/22/54/92/607225492.db2.gz FERBCYRVGGUGOM-UHFFFAOYSA-N -1 1 392.379 1.492 20 0 GDADMM O=C(c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1)N1CCO[C@@H](CO)C1 ZINC000823488662 607234787 /nfs/dbraw/zinc/23/47/87/607234787.db2.gz RNKWOFGNWVRDTM-CQSZACIVSA-N -1 1 399.382 1.631 20 0 GDADMM O=C(c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1)N1CCO[C@@H](CO)C1 ZINC000823488662 607234788 /nfs/dbraw/zinc/23/47/88/607234788.db2.gz RNKWOFGNWVRDTM-CQSZACIVSA-N -1 1 399.382 1.631 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC[C@]2(O)CCc3ccccc32)cc1-c1nn[n-]n1 ZINC000826229626 607781672 /nfs/dbraw/zinc/78/16/72/607781672.db2.gz LEYPVVJZEWTSKZ-GOSISDBHSA-N -1 1 398.448 1.253 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC(c2ccccn2)CC1 ZINC000826496412 607818881 /nfs/dbraw/zinc/81/88/81/607818881.db2.gz VRISJCRNSLVBON-UHFFFAOYSA-N -1 1 388.428 1.969 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC(c2ccccn2)CC1 ZINC000826496412 607818882 /nfs/dbraw/zinc/81/88/82/607818882.db2.gz VRISJCRNSLVBON-UHFFFAOYSA-N -1 1 388.428 1.969 20 0 GDADMM CN(C)c1cccc(CNS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000825879204 607853589 /nfs/dbraw/zinc/85/35/89/607853589.db2.gz JHBQDGGYJQZZKF-UHFFFAOYSA-N -1 1 393.860 1.460 20 0 GDADMM CCOC(=O)C1CCN(C(=O)COc2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000825499782 607865884 /nfs/dbraw/zinc/86/58/84/607865884.db2.gz UKECMSJEBVMUIN-UHFFFAOYSA-N -1 1 377.376 1.186 20 0 GDADMM CCOC(=O)C1CCN(C(=O)COc2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000825499782 607865885 /nfs/dbraw/zinc/86/58/85/607865885.db2.gz UKECMSJEBVMUIN-UHFFFAOYSA-N -1 1 377.376 1.186 20 0 GDADMM C[C@H](C(=O)Nc1ccc(Nc2cccc(-c3nnn[n-]3)n2)cc1)n1cncn1 ZINC000824045235 607896186 /nfs/dbraw/zinc/89/61/86/607896186.db2.gz JTECRTQMVKDCTP-LLVKDONJSA-N -1 1 376.384 1.797 20 0 GDADMM C[C@H](C(=O)Nc1ccc(Nc2cccc(-c3nn[n-]n3)n2)cc1)n1cncn1 ZINC000824045235 607896187 /nfs/dbraw/zinc/89/61/87/607896187.db2.gz JTECRTQMVKDCTP-LLVKDONJSA-N -1 1 376.384 1.797 20 0 GDADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc([S@@](C)=O)cc1 ZINC000824640412 607906059 /nfs/dbraw/zinc/90/60/59/607906059.db2.gz HWURKJWSGYXFTI-REFGNXHDSA-N -1 1 392.466 1.039 20 0 GDADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc([S@@](C)=O)cc1 ZINC000824640412 607906060 /nfs/dbraw/zinc/90/60/60/607906060.db2.gz HWURKJWSGYXFTI-REFGNXHDSA-N -1 1 392.466 1.039 20 0 GDADMM C[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C)c2ccc(-c3nn[nH]n3)cc2)co1 ZINC000826089923 607924283 /nfs/dbraw/zinc/92/42/83/607924283.db2.gz APSJHDVOKODIKC-SECBINFHSA-N -1 1 377.382 1.286 20 0 GDADMM Cc1cc(C(=O)n2ncc(-c3nn[n-]n3)c2N)ccc1NC(=O)c1cccs1 ZINC000826261361 608011615 /nfs/dbraw/zinc/01/16/15/608011615.db2.gz BRXNCBLPOYBDNG-UHFFFAOYSA-N -1 1 394.420 1.956 20 0 GDADMM Cn1c2ccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)cc2nc1C(C)(C)C ZINC000826355183 608032215 /nfs/dbraw/zinc/03/22/15/608032215.db2.gz NNQLAAAZZGGZLE-UHFFFAOYSA-N -1 1 380.416 1.281 20 0 GDADMM COc1ccc([C@](C)(O)[C@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000826188056 608087817 /nfs/dbraw/zinc/08/78/17/608087817.db2.gz MHVLNWOLJAUWSN-XLIONFOSSA-N -1 1 394.435 1.783 20 0 GDADMM COc1ccc([C@](C)(O)[C@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000826188056 608087818 /nfs/dbraw/zinc/08/78/18/608087818.db2.gz MHVLNWOLJAUWSN-XLIONFOSSA-N -1 1 394.435 1.783 20 0 GDADMM CCOC(=O)C(C)(C)C(=O)OCc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000825486845 608104545 /nfs/dbraw/zinc/10/45/45/608104545.db2.gz ZWRNDWAVNQZQSZ-UHFFFAOYSA-N -1 1 398.423 1.993 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@H](Oc2cccc(F)c2)C1 ZINC000826494468 608126237 /nfs/dbraw/zinc/12/62/37/608126237.db2.gz DESOFELDGSEYDL-ZDUSSCGKSA-N -1 1 390.400 1.243 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@H](Oc2cccc(F)c2)C1 ZINC000826494468 608126238 /nfs/dbraw/zinc/12/62/38/608126238.db2.gz DESOFELDGSEYDL-ZDUSSCGKSA-N -1 1 390.400 1.243 20 0 GDADMM CCOC(=O)c1cnn2c1nccc2C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825570583 608171005 /nfs/dbraw/zinc/17/10/05/608171005.db2.gz LIZPPDUBQOXSEM-UHFFFAOYSA-N -1 1 394.351 1.044 20 0 GDADMM O=C1CCCN1Cc1nnc(Sc2snc(Cl)c2-c2nnn[n-]2)o1 ZINC000826480575 608171596 /nfs/dbraw/zinc/17/15/96/608171596.db2.gz HULPHWFMODDXHN-UHFFFAOYSA-N -1 1 384.834 1.633 20 0 GDADMM O=C1CCCN1Cc1nnc(Sc2snc(Cl)c2-c2nn[n-]n2)o1 ZINC000826480575 608171598 /nfs/dbraw/zinc/17/15/98/608171598.db2.gz HULPHWFMODDXHN-UHFFFAOYSA-N -1 1 384.834 1.633 20 0 GDADMM O=C1CN(c2ccc(Nc3snc(Cl)c3-c3nnn[n-]3)cn2)CCN1 ZINC000826481482 608176818 /nfs/dbraw/zinc/17/68/18/608176818.db2.gz WLSOJKYREWPDPS-UHFFFAOYSA-N -1 1 377.821 1.051 20 0 GDADMM O=C1CN(c2ccc(Nc3snc(Cl)c3-c3nn[n-]n3)cn2)CCN1 ZINC000826481482 608176820 /nfs/dbraw/zinc/17/68/20/608176820.db2.gz WLSOJKYREWPDPS-UHFFFAOYSA-N -1 1 377.821 1.051 20 0 GDADMM COc1ccc(OC)c(CN(CCO)c2snc(Cl)c2-c2nnn[n-]2)c1 ZINC000826211190 608185807 /nfs/dbraw/zinc/18/58/07/608185807.db2.gz SKNIHIXAJSLKNV-UHFFFAOYSA-N -1 1 396.860 1.993 20 0 GDADMM COc1ccc(OC)c(CN(CCO)c2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000826211190 608185808 /nfs/dbraw/zinc/18/58/08/608185808.db2.gz SKNIHIXAJSLKNV-UHFFFAOYSA-N -1 1 396.860 1.993 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)Nn2cc(Br)cn2)cc1-c1nn[n-]n1 ZINC000826229654 608199922 /nfs/dbraw/zinc/19/99/22/608199922.db2.gz MEZURJBTORJDFT-UHFFFAOYSA-N -1 1 397.218 1.032 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C/C=C/c1ccc(F)cc1 ZINC000825923795 608211576 /nfs/dbraw/zinc/21/15/76/608211576.db2.gz WDNPAKGTOLOBGK-DUXPYHPUSA-N -1 1 384.419 1.806 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C/C=C/c1ccc(F)cc1 ZINC000825923795 608211578 /nfs/dbraw/zinc/21/15/78/608211578.db2.gz WDNPAKGTOLOBGK-DUXPYHPUSA-N -1 1 384.419 1.806 20 0 GDADMM C[C@H]1CCCC[C@H]1OCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824936043 608212900 /nfs/dbraw/zinc/21/29/00/608212900.db2.gz DOVJQBBOMMCPJS-WCQYABFASA-N -1 1 376.465 1.158 20 0 GDADMM C[C@H]1CCCC[C@H]1OCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824936043 608212901 /nfs/dbraw/zinc/21/29/01/608212901.db2.gz DOVJQBBOMMCPJS-WCQYABFASA-N -1 1 376.465 1.158 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H]1CCO[C@@H](C(C)C)C1 ZINC000826232920 608250054 /nfs/dbraw/zinc/25/00/54/608250054.db2.gz NFGXBOIMQVSBPC-DZGCQCFKSA-N -1 1 388.472 1.837 20 0 GDADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000826223731 608336851 /nfs/dbraw/zinc/33/68/51/608336851.db2.gz YALPAZMCYHDQPB-UHFFFAOYSA-N -1 1 390.400 1.559 20 0 GDADMM CN(CC1CCCCC1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825908997 608342371 /nfs/dbraw/zinc/34/23/71/608342371.db2.gz PNXUFXNMBPPYAG-UHFFFAOYSA-N -1 1 388.476 1.795 20 0 GDADMM CN(CC1CCCCC1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825908997 608342373 /nfs/dbraw/zinc/34/23/73/608342373.db2.gz PNXUFXNMBPPYAG-UHFFFAOYSA-N -1 1 388.476 1.795 20 0 GDADMM O=S(=O)(N[C@H](CO)Cc1ccc(F)cc1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826487565 608345207 /nfs/dbraw/zinc/34/52/07/608345207.db2.gz RWRMQXFXDUXWKY-LBPRGKRZSA-N -1 1 395.391 1.027 20 0 GDADMM O=S(=O)(N[C@H](CO)Cc1ccc(F)cc1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826487565 608345208 /nfs/dbraw/zinc/34/52/08/608345208.db2.gz RWRMQXFXDUXWKY-LBPRGKRZSA-N -1 1 395.391 1.027 20 0 GDADMM C[C@@H]1CCC[C@@H](CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000824926655 608349600 /nfs/dbraw/zinc/34/96/00/608349600.db2.gz KQQYEXFDYPBABZ-VXGBXAGGSA-N -1 1 388.476 1.699 20 0 GDADMM C[C@@H]1CCC[C@@H](CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000824926655 608349602 /nfs/dbraw/zinc/34/96/02/608349602.db2.gz KQQYEXFDYPBABZ-VXGBXAGGSA-N -1 1 388.476 1.699 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NC2CCC(C)(C)CC2)n1 ZINC000824802477 608354549 /nfs/dbraw/zinc/35/45/49/608354549.db2.gz NKNOCJIBEMFVNB-UHFFFAOYSA-N -1 1 388.476 1.842 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NC2CCC(C)(C)CC2)n1 ZINC000824802477 608354550 /nfs/dbraw/zinc/35/45/50/608354550.db2.gz NKNOCJIBEMFVNB-UHFFFAOYSA-N -1 1 388.476 1.842 20 0 GDADMM CS[C@H]1CC[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000826227940 608355698 /nfs/dbraw/zinc/35/56/98/608355698.db2.gz ZSVRFEUIMQYRKY-UWVGGRQHSA-N -1 1 392.489 1.157 20 0 GDADMM CS[C@H]1CC[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000826227940 608355700 /nfs/dbraw/zinc/35/57/00/608355700.db2.gz ZSVRFEUIMQYRKY-UWVGGRQHSA-N -1 1 392.489 1.157 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N[C@H]2CC3CCC2CC3)n1 ZINC000824141871 608357330 /nfs/dbraw/zinc/35/73/30/608357330.db2.gz NCRQSWLJVKHQLH-XIVSLSHWSA-N -1 1 386.460 1.452 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N[C@H]2CC3CCC2CC3)n1 ZINC000824141871 608357331 /nfs/dbraw/zinc/35/73/31/608357331.db2.gz NCRQSWLJVKHQLH-XIVSLSHWSA-N -1 1 386.460 1.452 20 0 GDADMM CN(CCOc1ccc(Br)cc1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825946078 608390048 /nfs/dbraw/zinc/39/00/48/608390048.db2.gz HPYTXSLNTWVRJU-UHFFFAOYSA-N -1 1 376.218 1.934 20 0 GDADMM CN(CCOc1ccc(Br)cc1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825946078 608390049 /nfs/dbraw/zinc/39/00/49/608390049.db2.gz HPYTXSLNTWVRJU-UHFFFAOYSA-N -1 1 376.218 1.934 20 0 GDADMM CC1CCN(c2nnc(Sc3ccc(-c4nnn[n-]4)nn3)n2C2CC2)CC1 ZINC000824961594 608393624 /nfs/dbraw/zinc/39/36/24/608393624.db2.gz DMACKBOLSIMYCT-UHFFFAOYSA-N -1 1 384.473 1.971 20 0 GDADMM CC1CCN(c2nnc(Sc3ccc(-c4nn[n-]n4)nn3)n2C2CC2)CC1 ZINC000824961594 608393626 /nfs/dbraw/zinc/39/36/26/608393626.db2.gz DMACKBOLSIMYCT-UHFFFAOYSA-N -1 1 384.473 1.971 20 0 GDADMM C[C@H](C(=O)Nc1cccc(Nc2ccc(-c3nnn[n-]3)nn2)c1)n1cccn1 ZINC000824047068 608396327 /nfs/dbraw/zinc/39/63/27/608396327.db2.gz WPNOINSOXSUQIS-LLVKDONJSA-N -1 1 376.384 1.797 20 0 GDADMM C[C@H](C(=O)Nc1cccc(Nc2ccc(-c3nn[n-]n3)nn2)c1)n1cccn1 ZINC000824047068 608396328 /nfs/dbraw/zinc/39/63/28/608396328.db2.gz WPNOINSOXSUQIS-LLVKDONJSA-N -1 1 376.384 1.797 20 0 GDADMM O=C(NCc1ccc(F)cc1)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826442048 608400476 /nfs/dbraw/zinc/40/04/76/608400476.db2.gz HLKSSOCYEKSELV-UHFFFAOYSA-N -1 1 382.403 1.329 20 0 GDADMM O=C(NCc1ccc(F)cc1)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826442048 608400478 /nfs/dbraw/zinc/40/04/78/608400478.db2.gz HLKSSOCYEKSELV-UHFFFAOYSA-N -1 1 382.403 1.329 20 0 GDADMM CC(C)(C)Oc1cccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC000824123921 608445701 /nfs/dbraw/zinc/44/57/01/608445701.db2.gz MWGSNWYTPQTDPT-UHFFFAOYSA-N -1 1 389.441 1.313 20 0 GDADMM CC(C)(C)Oc1cccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC000824123921 608445702 /nfs/dbraw/zinc/44/57/02/608445702.db2.gz MWGSNWYTPQTDPT-UHFFFAOYSA-N -1 1 389.441 1.313 20 0 GDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000826280545 608541287 /nfs/dbraw/zinc/54/12/87/608541287.db2.gz GGMGDQLWGSORGU-UHFFFAOYSA-N -1 1 396.430 1.470 20 0 GDADMM Cn1cnc(CNC(=O)c2ccc(Oc3cccc(F)c3-c3nnn[n-]3)cc2)n1 ZINC000826364842 608552483 /nfs/dbraw/zinc/55/24/83/608552483.db2.gz NSSYQILNKZYOCT-UHFFFAOYSA-N -1 1 394.370 1.857 20 0 GDADMM Cn1cnc(CNC(=O)c2ccc(Oc3cccc(F)c3-c3nn[n-]n3)cc2)n1 ZINC000826364842 608552485 /nfs/dbraw/zinc/55/24/85/608552485.db2.gz NSSYQILNKZYOCT-UHFFFAOYSA-N -1 1 394.370 1.857 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824228570 608554503 /nfs/dbraw/zinc/55/45/03/608554503.db2.gz JQEGEOPRHUYZPW-LBPRGKRZSA-N -1 1 378.481 1.404 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824228570 608554504 /nfs/dbraw/zinc/55/45/04/608554504.db2.gz JQEGEOPRHUYZPW-LBPRGKRZSA-N -1 1 378.481 1.404 20 0 GDADMM COc1c(CN2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)c(C)nn1C ZINC000826167319 608590216 /nfs/dbraw/zinc/59/02/16/608590216.db2.gz YILQTKCCLLPARO-UHFFFAOYSA-N -1 1 399.459 1.105 20 0 GDADMM COc1cc(C(=O)N2CCN(Cc3ccc(-c4nnn[n-]4)o3)CC2)ccc1C ZINC000826177214 608609167 /nfs/dbraw/zinc/60/91/67/608609167.db2.gz XJNHLNAWMVIHHW-UHFFFAOYSA-N -1 1 382.424 1.735 20 0 GDADMM COc1cc(C(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)o3)CC2)ccc1C ZINC000826177214 608609171 /nfs/dbraw/zinc/60/91/71/608609171.db2.gz XJNHLNAWMVIHHW-UHFFFAOYSA-N -1 1 382.424 1.735 20 0 GDADMM COc1ccc(CCC(=O)N2CCN(Cc3ccc(-c4nnn[n-]4)o3)CC2)cc1 ZINC000826191970 608635443 /nfs/dbraw/zinc/63/54/43/608635443.db2.gz VYQVEOFXGLSNBB-UHFFFAOYSA-N -1 1 396.451 1.745 20 0 GDADMM COc1ccc(CCC(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)o3)CC2)cc1 ZINC000826191970 608635444 /nfs/dbraw/zinc/63/54/44/608635444.db2.gz VYQVEOFXGLSNBB-UHFFFAOYSA-N -1 1 396.451 1.745 20 0 GDADMM CCO[C@@H](C)c1noc(CN2CCN(Cc3ccc(-c4nnn[n-]4)o3)CC2)n1 ZINC000825576594 608736744 /nfs/dbraw/zinc/73/67/44/608736744.db2.gz LEGVXUNXPCZESD-LBPRGKRZSA-N -1 1 388.432 1.258 20 0 GDADMM CCO[C@@H](C)c1noc(CN2CCN(Cc3ccc(-c4nn[n-]n4)o3)CC2)n1 ZINC000825576594 608736748 /nfs/dbraw/zinc/73/67/48/608736748.db2.gz LEGVXUNXPCZESD-LBPRGKRZSA-N -1 1 388.432 1.258 20 0 GDADMM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)o2)CCO1 ZINC000824505683 608842923 /nfs/dbraw/zinc/84/29/23/608842923.db2.gz HAPUIAPPDWECTG-RISCZKNCSA-N -1 1 378.433 1.574 20 0 GDADMM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)o2)CCO1 ZINC000824505683 608842925 /nfs/dbraw/zinc/84/29/25/608842925.db2.gz HAPUIAPPDWECTG-RISCZKNCSA-N -1 1 378.433 1.574 20 0 GDADMM COc1ccc([C@H]2CCCN2C(=O)Cn2ccnc2-c2nnn[n-]2)cc1OC ZINC000826189877 608887200 /nfs/dbraw/zinc/88/72/00/608887200.db2.gz HWNJUGZKTMINRM-CYBMUJFWSA-N -1 1 383.412 1.444 20 0 GDADMM COc1ccc([C@H]2CCCN2C(=O)Cn2ccnc2-c2nn[n-]n2)cc1OC ZINC000826189877 608887202 /nfs/dbraw/zinc/88/72/02/608887202.db2.gz HWNJUGZKTMINRM-CYBMUJFWSA-N -1 1 383.412 1.444 20 0 GDADMM CC(C)(C)n1cc(C(=O)n2ncc(-c3nn[n-]n3)c2N)c(Br)n1 ZINC000824148452 609149701 /nfs/dbraw/zinc/14/97/01/609149701.db2.gz VOCWMWCJZZUFIA-UHFFFAOYSA-N -1 1 380.210 1.048 20 0 GDADMM Cc1ccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c(N(C)C)n1 ZINC000826291100 609162326 /nfs/dbraw/zinc/16/23/26/609162326.db2.gz PDXNLOYQNRDOIH-UHFFFAOYSA-N -1 1 399.463 1.038 20 0 GDADMM CN(Cc1cc(F)c(F)c(F)c1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825953588 609181985 /nfs/dbraw/zinc/18/19/85/609181985.db2.gz LDMCMMSIJBTTDY-UHFFFAOYSA-N -1 1 384.343 1.500 20 0 GDADMM CN(Cc1cc(F)c(F)c(F)c1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825953588 609181987 /nfs/dbraw/zinc/18/19/87/609181987.db2.gz LDMCMMSIJBTTDY-UHFFFAOYSA-N -1 1 384.343 1.500 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1ccc2nncn2c1 ZINC000826458586 609290053 /nfs/dbraw/zinc/29/00/53/609290053.db2.gz WMURMYYBBBXUQH-UHFFFAOYSA-N -1 1 390.342 1.487 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)Nc2ccc3nccnc3c2)cc1-c1nn[n-]n1 ZINC000826229577 609298200 /nfs/dbraw/zinc/29/82/00/609298200.db2.gz JKBRNBWZWWVPHB-UHFFFAOYSA-N -1 1 380.393 1.885 20 0 GDADMM CCOc1ccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000825637904 609300189 /nfs/dbraw/zinc/30/01/89/609300189.db2.gz AXPMXXZYPOYQSI-UHFFFAOYSA-N -1 1 399.459 1.345 20 0 GDADMM CCOc1ccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000825637904 609300191 /nfs/dbraw/zinc/30/01/91/609300191.db2.gz AXPMXXZYPOYQSI-UHFFFAOYSA-N -1 1 399.459 1.345 20 0 GDADMM Cc1csc([C@H](C)NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)n1 ZINC000826319994 609303224 /nfs/dbraw/zinc/30/32/24/609303224.db2.gz BTMOMZDBTFEPPF-VIFPVBQESA-N -1 1 390.477 1.272 20 0 GDADMM Cc1csc([C@H](C)NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)n1 ZINC000826319994 609303226 /nfs/dbraw/zinc/30/32/26/609303226.db2.gz BTMOMZDBTFEPPF-VIFPVBQESA-N -1 1 390.477 1.272 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCC(C)(C)C1CCCC1 ZINC000825929094 609309696 /nfs/dbraw/zinc/30/96/96/609309696.db2.gz AKTBJFXDRAGKDW-UHFFFAOYSA-N -1 1 389.508 1.962 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCC(C)(C)C1CCCC1 ZINC000825929094 609309698 /nfs/dbraw/zinc/30/96/98/609309698.db2.gz AKTBJFXDRAGKDW-UHFFFAOYSA-N -1 1 389.508 1.962 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCC(C)(C)c1ccncc1 ZINC000825930320 609309891 /nfs/dbraw/zinc/30/98/91/609309891.db2.gz SJVABSNXDHPCSA-UHFFFAOYSA-N -1 1 398.475 1.119 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCC(C)(C)c1ccncc1 ZINC000825930320 609309893 /nfs/dbraw/zinc/30/98/93/609309893.db2.gz SJVABSNXDHPCSA-UHFFFAOYSA-N -1 1 398.475 1.119 20 0 GDADMM Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000826333971 609325771 /nfs/dbraw/zinc/32/57/71/609325771.db2.gz BNXJVIFBDMKHML-ZETCQYMHSA-N -1 1 397.365 1.718 20 0 GDADMM Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000826333971 609325773 /nfs/dbraw/zinc/32/57/73/609325773.db2.gz BNXJVIFBDMKHML-ZETCQYMHSA-N -1 1 397.365 1.718 20 0 GDADMM COCC[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccc(C)o1 ZINC000826155092 609334077 /nfs/dbraw/zinc/33/40/77/609334077.db2.gz GECPQNYWVCSTDB-LBPRGKRZSA-N -1 1 395.416 1.963 20 0 GDADMM COCC[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccc(C)o1 ZINC000826155092 609334078 /nfs/dbraw/zinc/33/40/78/609334078.db2.gz GECPQNYWVCSTDB-LBPRGKRZSA-N -1 1 395.416 1.963 20 0 GDADMM CC1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CC1 ZINC000824945359 609353765 /nfs/dbraw/zinc/35/37/65/609353765.db2.gz BYTZWIZQXTXFFL-UHFFFAOYSA-N -1 1 398.402 1.389 20 0 GDADMM CCC[C@](C)(CO)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825233177 609356639 /nfs/dbraw/zinc/35/66/39/609356639.db2.gz NWPVEOYHODGIAL-QGZVFWFLSA-N -1 1 388.407 1.864 20 0 GDADMM O=C(NC[C@@H]1CCC[C@@H]1O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826434860 609361410 /nfs/dbraw/zinc/36/14/10/609361410.db2.gz ZXPRLSZHCBSTIU-GWCFXTLKSA-N -1 1 386.391 1.474 20 0 GDADMM CN(C[C@H]1CCCO1)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825909464 609363695 /nfs/dbraw/zinc/36/36/95/609363695.db2.gz YRVWGNQDHUHSNK-LLVKDONJSA-N -1 1 386.391 1.834 20 0 GDADMM CC1(C)CCCN1C(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824808445 609366119 /nfs/dbraw/zinc/36/61/19/609366119.db2.gz RWWKKMGSAWGHRA-UHFFFAOYSA-N -1 1 398.402 1.531 20 0 GDADMM CC[C@@](C)(CCO)NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000825043704 609396171 /nfs/dbraw/zinc/39/61/71/609396171.db2.gz JUEWGRYXDLCJSW-SFHVURJKSA-N -1 1 386.460 1.126 20 0 GDADMM CC[C@@](C)(CCO)NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000825043704 609396172 /nfs/dbraw/zinc/39/61/72/609396172.db2.gz JUEWGRYXDLCJSW-SFHVURJKSA-N -1 1 386.460 1.126 20 0 GDADMM Cc1nc([C@@H]2CCCCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)no1 ZINC000826325324 609497715 /nfs/dbraw/zinc/49/77/15/609497715.db2.gz UGRZYCPNHJYUPI-ZDUSSCGKSA-N -1 1 390.429 1.259 20 0 GDADMM Cc1nc([C@@H]2CCCCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)no1 ZINC000826325324 609497719 /nfs/dbraw/zinc/49/77/19/609497719.db2.gz UGRZYCPNHJYUPI-ZDUSSCGKSA-N -1 1 390.429 1.259 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cccnc1C1CC1 ZINC000825000179 609505886 /nfs/dbraw/zinc/50/58/86/609505886.db2.gz NRXYZVMSKRMPHO-LBPRGKRZSA-N -1 1 391.439 1.280 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cccnc1C1CC1 ZINC000825000179 609505889 /nfs/dbraw/zinc/50/58/89/609505889.db2.gz NRXYZVMSKRMPHO-LBPRGKRZSA-N -1 1 391.439 1.280 20 0 GDADMM O=C(CS[C@@H]1CCCOC1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000826419912 609526678 /nfs/dbraw/zinc/52/66/78/609526678.db2.gz QOQZCMDLNKUOFW-CYBMUJFWSA-N -1 1 385.453 1.903 20 0 GDADMM O=C(CS[C@@H]1CCCOC1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000826419912 609526680 /nfs/dbraw/zinc/52/66/80/609526680.db2.gz QOQZCMDLNKUOFW-CYBMUJFWSA-N -1 1 385.453 1.903 20 0 GDADMM Cc1nc2c(s1)[C@H](NS(=O)(=O)c1ccc(-c3nnn[n-]3)nc1)CCC2 ZINC000826328515 609580915 /nfs/dbraw/zinc/58/09/15/609580915.db2.gz UJRVDKIKDATZGB-LLVKDONJSA-N -1 1 377.455 1.383 20 0 GDADMM 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O=C([C@@H]1C[C@H]1c1ccc(Br)cc1)N1CCC(O)(c2nn[n-]n2)CC1 ZINC000907939509 659846434 /nfs/dbraw/zinc/84/64/34/659846434.db2.gz DDGZVXDVGJQIBC-QWHCGFSZSA-N -1 1 392.257 1.576 20 0 GDADMM CCc1cc(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)ccc1Br ZINC000907942939 659847137 /nfs/dbraw/zinc/84/71/37/659847137.db2.gz DPDDABULFRKEQR-UHFFFAOYSA-N -1 1 380.246 1.648 20 0 GDADMM CCO[C@]12CCC[C@@]1([N-]S(=O)(=O)C[C@@H](OC)C1CCOCC1)CCO2 ZINC000908019164 659856544 /nfs/dbraw/zinc/85/65/44/659856544.db2.gz YCPSRXTUTZWRCX-ZACQAIPSSA-N -1 1 377.503 1.423 20 0 GDADMM COC(=O)[C@](C)(Cn1cccn1)[N-]S(=O)(=O)CCc1cccc(Cl)c1 ZINC000908395721 659903478 /nfs/dbraw/zinc/90/34/78/659903478.db2.gz IYENPBPWCJTXJP-INIZCTEOSA-N -1 1 385.873 1.630 20 0 GDADMM COC(=O)[C@@](C)(Cn1cccn1)[N-]S(=O)(=O)CCc1ccc(Cl)cc1 ZINC000908397977 659903933 /nfs/dbraw/zinc/90/39/33/659903933.db2.gz XIYCKQLKPUVCIK-MRXNPFEDSA-N -1 1 385.873 1.630 20 0 GDADMM O=C([O-])CCN(CC1CC1)C(=O)c1cnc(I)c(O)c1 ZINC000908875980 659934073 /nfs/dbraw/zinc/93/40/73/659934073.db2.gz LILRHHTVLNYXMN-UHFFFAOYSA-N -1 1 390.177 1.719 20 0 GDADMM CC(C)(C)[C@H](NC(=O)c1cnc(I)c(O)c1)C(=O)[O-] ZINC000908969434 659937201 /nfs/dbraw/zinc/93/72/01/659937201.db2.gz UQJOUHZYRBFXNJ-MRVPVSSYSA-N -1 1 378.166 1.621 20 0 GDADMM O=C([O-])CN(C(=O)c1cnc(I)c(O)c1)C1CCCC1 ZINC000910061644 659962057 /nfs/dbraw/zinc/96/20/57/659962057.db2.gz PDVBDXQOMYOVHR-UHFFFAOYSA-N -1 1 390.177 1.861 20 0 GDADMM CN1C(=O)CC[C@@H]([N-]C(=O)C(F)(F)c2ncccc2Br)C1=O ZINC000911306569 660002874 /nfs/dbraw/zinc/00/28/74/660002874.db2.gz VKQQZJORUJNUAR-MRVPVSSYSA-N -1 1 376.157 1.200 20 0 GDADMM C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)N1C(=O)c1ccc(I)c([O-])c1 ZINC000911795191 660018597 /nfs/dbraw/zinc/01/85/97/660018597.db2.gz MUOVYXFPNWFTOW-DJLDLDEBSA-N -1 1 388.205 1.734 20 0 GDADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](C)c1ccccc1OC(F)F ZINC000912531534 660041243 /nfs/dbraw/zinc/04/12/43/660041243.db2.gz YTHUBQMKCJEJIA-QMMMGPOBSA-N -1 1 375.353 1.837 20 0 GDADMM CC[C@H](C[N-]S(=O)(=O)c1n[nH]cc1C(=O)OC)Oc1ccccc1Cl ZINC000912541578 660041891 /nfs/dbraw/zinc/04/18/91/660041891.db2.gz HZOWUDZYEVFOGW-SNVBAGLBSA-N -1 1 387.845 1.986 20 0 GDADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000912543911 660042037 /nfs/dbraw/zinc/04/20/37/660042037.db2.gz UITCCCLCMFZFMW-NSHDSACASA-N -1 1 394.236 1.515 20 0 GDADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCc1ccccc1OC(F)F ZINC000912549524 660042326 /nfs/dbraw/zinc/04/23/26/660042326.db2.gz FQCXCAUFXJKKNG-UHFFFAOYSA-N -1 1 375.353 1.319 20 0 GDADMM CN=[S@](C)(=O)CCNC(=O)c1ccc(I)c([O-])c1 ZINC000912789242 660053619 /nfs/dbraw/zinc/05/36/19/660053619.db2.gz DUNFLYQLLGTHLJ-GOSISDBHSA-N -1 1 382.223 1.454 20 0 GDADMM Cc1ccc(OCCC(=O)N2CCOC[C@@H]2c2nn[n-]n2)c(Br)c1 ZINC000913494752 660082843 /nfs/dbraw/zinc/08/28/43/660082843.db2.gz KPTXOACVMQMSII-GFCCVEGCSA-N -1 1 396.245 1.640 20 0 GDADMM O=C(Cc1ccc(Cl)cc1Br)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913494658 660082878 /nfs/dbraw/zinc/08/28/78/660082878.db2.gz IFJZFUWDWUQNIM-LLVKDONJSA-N -1 1 386.637 1.758 20 0 GDADMM O=C(c1cn2ccc(Br)cc2n1)N1CCC(c2nn[n-]n2)CC1 ZINC000913744835 660095112 /nfs/dbraw/zinc/09/51/12/660095112.db2.gz HEFYXGDMIYZYTD-UHFFFAOYSA-N -1 1 376.218 1.630 20 0 GDADMM C[S@](=O)CCC[N-]S(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F ZINC000914124254 660117796 /nfs/dbraw/zinc/11/77/96/660117796.db2.gz MBAJAYXERJDXPU-FCHUYYIVSA-N -1 1 392.446 1.636 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-]CC2OCCCO2)c1F ZINC000914421129 660148914 /nfs/dbraw/zinc/14/89/14/660148914.db2.gz MHXMWZJJGUPURM-UHFFFAOYSA-N -1 1 384.223 1.638 20 0 GDADMM COc1nn2cc(Br)cnc2c1S(=O)(=O)[N-][C@@H](C)[C@H](C)OC ZINC000914422472 660149254 /nfs/dbraw/zinc/14/92/54/660149254.db2.gz XWHVLSAUYHDLFR-YUMQZZPRSA-N -1 1 393.263 1.202 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H](C)c2ncnn2C)c1F ZINC000914425517 660150242 /nfs/dbraw/zinc/15/02/42/660150242.db2.gz WUPCKXZAHBLPLN-SSDOTTSWSA-N -1 1 393.238 1.765 20 0 GDADMM CN(C[C@@H]1CCCN1C)S(=O)(=O)c1cc(C(=O)[O-])ccc1Br 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HUEMNWRHGOMQKP-GOSISDBHSA-N -1 1 385.530 1.529 20 0 GDADMM CO[C@@H]1CCC[C@@H]([C@@H](NC(=O)c2ccnc(N3CCN(C)CC3)c2)C(=O)[O-])C1 ZINC000909906784 939740279 /nfs/dbraw/zinc/74/02/79/939740279.db2.gz GSYQOAZMWVOPCF-QGPMSJSTSA-N -1 1 390.484 1.222 20 0 GDADMM CCN1CC[NH+](CCC(=O)N[C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)CC1 ZINC000911064198 939770129 /nfs/dbraw/zinc/77/01/29/939770129.db2.gz UVQQPVGKXNYUFP-INIZCTEOSA-N -1 1 387.402 1.975 20 0 GDADMM CO[C@@H]1CCC[C@H]([C@H](NC(=O)N[C@H]2CCCN3CCSC[C@H]23)C(=O)[O-])C1 ZINC000929063021 939809418 /nfs/dbraw/zinc/80/94/18/939809418.db2.gz FNWWVQYJHSPWOP-NPJQDHAYSA-N -1 1 385.530 1.524 20 0 GDADMM CS(=O)(=O)c1ccc(F)c(NS(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000321607212 970789055 /nfs/dbraw/zinc/78/90/55/970789055.db2.gz LHFRDNKRJFPGMU-UHFFFAOYSA-N -1 1 379.412 1.790 20 0 GDADMM O=C([O-])[C@@H]1CN(C(=O)CCN2CCN(c3cccc(Cl)c3)CC2)CCO1 ZINC001601842203 971068009 /nfs/dbraw/zinc/06/80/09/971068009.db2.gz PCWWCYTWAIHXRS-INIZCTEOSA-N -1 1 381.860 1.164 20 0 GDADMM O=C([O-])CNC(=O)CNC1(c2cccc(OC(F)(F)F)c2)CCOCC1 ZINC001611471041 971070040 /nfs/dbraw/zinc/07/00/40/971070040.db2.gz LTUPUBVIHFXXSZ-UHFFFAOYSA-N -1 1 376.331 1.381 20 0 GDADMM CCc1nc(N[C@@H]2C[C@@H](C)N(C(=O)c3cscn3)C2)cc(-c2nnn[n-]2)n1 ZINC001571262074 945433395 /nfs/dbraw/zinc/43/33/95/945433395.db2.gz MZYAWPXINVHISY-NXEZZACHSA-N -1 1 385.457 1.391 20 0 GDADMM CCc1nc(N[C@@H]2C[C@@H](C)N(C(=O)c3cscn3)C2)cc(-c2nn[n-]n2)n1 ZINC001571262074 945433399 /nfs/dbraw/zinc/43/33/99/945433399.db2.gz MZYAWPXINVHISY-NXEZZACHSA-N -1 1 385.457 1.391 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C2CCN(C(=O)c3ccns3)CC2)n1 ZINC001571262782 945442271 /nfs/dbraw/zinc/44/22/71/945442271.db2.gz XRXPPCJCZYKISH-UHFFFAOYSA-N -1 1 385.457 1.163 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C2CCN(C(=O)c3ccns3)CC2)n1 ZINC001571262782 945442278 /nfs/dbraw/zinc/44/22/78/945442278.db2.gz XRXPPCJCZYKISH-UHFFFAOYSA-N -1 1 385.457 1.163 20 0 GDADMM Cc1nc(C(=O)N[C@@]2(C)CCN(c3cncc(-c4nnn[n-]4)n3)C2)sc1C ZINC001571262932 945445843 /nfs/dbraw/zinc/44/58/43/945445843.db2.gz COTPRKLIXLUZHV-INIZCTEOSA-N -1 1 385.457 1.129 20 0 GDADMM Cc1nc(C(=O)N[C@@]2(C)CCN(c3cncc(-c4nn[n-]n4)n3)C2)sc1C ZINC001571262932 945445849 /nfs/dbraw/zinc/44/58/49/945445849.db2.gz COTPRKLIXLUZHV-INIZCTEOSA-N -1 1 385.457 1.129 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2Nc2ccc(-c3nnn[n-]3)nn2)ns1 ZINC001571262884 945446417 /nfs/dbraw/zinc/44/64/17/945446417.db2.gz BFHLTNCJZVTMBC-GHMZBOCLSA-N -1 1 385.457 1.575 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2Nc2ccc(-c3nn[n-]n3)nn2)ns1 ZINC001571262884 945446422 /nfs/dbraw/zinc/44/64/22/945446422.db2.gz BFHLTNCJZVTMBC-GHMZBOCLSA-N -1 1 385.457 1.575 20 0 GDADMM O=C(Cc1cscn1)N[C@@H]1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571262964 945447899 /nfs/dbraw/zinc/44/78/99/945447899.db2.gz DIZKHVWBDPHGAP-GHMZBOCLSA-N -1 1 385.457 1.195 20 0 GDADMM O=C(Cc1cscn1)N[C@@H]1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571262964 945447903 /nfs/dbraw/zinc/44/79/03/945447903.db2.gz DIZKHVWBDPHGAP-GHMZBOCLSA-N -1 1 385.457 1.195 20 0 GDADMM O=C(Cc1cncs1)N1CCCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571263109 945450026 /nfs/dbraw/zinc/45/00/26/945450026.db2.gz HRAYFAJWZKODQW-LLVKDONJSA-N -1 1 385.457 1.149 20 0 GDADMM O=C(Cc1cncs1)N1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571263109 945450034 /nfs/dbraw/zinc/45/00/34/945450034.db2.gz HRAYFAJWZKODQW-LLVKDONJSA-N -1 1 385.457 1.149 20 0 GDADMM Cc1nsc(N2CC[C@@H](NC(=O)c3ccnnc3)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571263238 945453468 /nfs/dbraw/zinc/45/34/68/945453468.db2.gz KOSNQPUSMDWBKX-BXKDBHETSA-N -1 1 385.457 1.209 20 0 GDADMM Cc1nsc(C)c1C(=O)N1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571263327 945456469 /nfs/dbraw/zinc/45/64/69/945456469.db2.gz MYXAJYSCWDUSNC-LLVKDONJSA-N -1 1 385.457 1.304 20 0 GDADMM Cc1nsc(C)c1C(=O)N1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571263327 945456471 /nfs/dbraw/zinc/45/64/71/945456471.db2.gz MYXAJYSCWDUSNC-LLVKDONJSA-N -1 1 385.457 1.304 20 0 GDADMM Cc1ncsc1C(=O)N1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571263460 945459541 /nfs/dbraw/zinc/45/95/41/945459541.db2.gz QUFTTXQBIBDHKA-NSHDSACASA-N -1 1 385.457 1.528 20 0 GDADMM Cc1ncsc1C(=O)N1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571263460 945459548 /nfs/dbraw/zinc/45/95/48/945459548.db2.gz QUFTTXQBIBDHKA-NSHDSACASA-N -1 1 385.457 1.528 20 0 GDADMM Cc1nsc(C)c1C(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571263862 945469968 /nfs/dbraw/zinc/46/99/68/945469968.db2.gz YOOWGSHLMJSGEH-LDYMZIIASA-N -1 1 385.457 1.303 20 0 GDADMM Cc1nsc(C)c1C(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571263862 945469971 /nfs/dbraw/zinc/46/99/71/945469971.db2.gz YOOWGSHLMJSGEH-LDYMZIIASA-N -1 1 385.457 1.303 20 0 GDADMM O=C(NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1)c1ccncc1Cl ZINC001571264930 945494660 /nfs/dbraw/zinc/49/46/60/945494660.db2.gz AWZIXVVSZOIQFU-UHFFFAOYSA-N -1 1 385.819 1.326 20 0 GDADMM O=C(NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1)c1ccncc1Cl ZINC001571264930 945494677 /nfs/dbraw/zinc/49/46/77/945494677.db2.gz AWZIXVVSZOIQFU-UHFFFAOYSA-N -1 1 385.819 1.326 20 0 GDADMM O=C(c1ccc(Cl)cn1)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571266192 945534736 /nfs/dbraw/zinc/53/47/36/945534736.db2.gz XSKVEJYDDASQIX-NSHDSACASA-N -1 1 385.819 1.422 20 0 GDADMM O=C(c1ccc(Cl)cn1)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571266192 945534742 /nfs/dbraw/zinc/53/47/42/945534742.db2.gz XSKVEJYDDASQIX-NSHDSACASA-N -1 1 385.819 1.422 20 0 GDADMM O=C(c1cccc(F)c1F)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571266849 945555372 /nfs/dbraw/zinc/55/53/72/945555372.db2.gz AGFINRVVYZRNQE-JTQLQIEISA-N -1 1 386.366 1.652 20 0 GDADMM O=C(c1cccc(F)c1F)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571266849 945555374 /nfs/dbraw/zinc/55/53/74/945555374.db2.gz AGFINRVVYZRNQE-JTQLQIEISA-N -1 1 386.366 1.652 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)c3c(F)cccc3F)C2)n1 ZINC001571266954 945557576 /nfs/dbraw/zinc/55/75/76/945557576.db2.gz DDCWUVNLTQHIAH-JTQLQIEISA-N -1 1 386.366 1.570 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)c3c(F)cccc3F)C2)n1 ZINC001571266954 945557581 /nfs/dbraw/zinc/55/75/81/945557581.db2.gz DDCWUVNLTQHIAH-JTQLQIEISA-N -1 1 386.366 1.570 20 0 GDADMM CC(=O)Nc1ccc(CC(=O)NCc2cc(F)c(-c3nnn[n-]3)c(F)c2)cc1 ZINC001571267292 945567282 /nfs/dbraw/zinc/56/72/82/945567282.db2.gz PPCQZBFZMAGGQN-UHFFFAOYSA-N -1 1 386.362 1.962 20 0 GDADMM CC(=O)Nc1ccc(CC(=O)NCc2cc(F)c(-c3nn[n-]n3)c(F)c2)cc1 ZINC001571267292 945567288 /nfs/dbraw/zinc/56/72/88/945567288.db2.gz PPCQZBFZMAGGQN-UHFFFAOYSA-N -1 1 386.362 1.962 20 0 GDADMM C[C@@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)c1cc(F)cc(F)c1 ZINC001571267381 945569652 /nfs/dbraw/zinc/56/96/52/945569652.db2.gz SPQYCJVORWXAOY-RNCFNFMXSA-N -1 1 386.366 1.072 20 0 GDADMM O=C(c1cc(F)cc(F)c1)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571267513 945570571 /nfs/dbraw/zinc/57/05/71/945570571.db2.gz XPSWMTVMFWKXII-UHFFFAOYSA-N -1 1 386.366 1.287 20 0 GDADMM O=C(c1cc(F)cc(F)c1)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571267513 945570574 /nfs/dbraw/zinc/57/05/74/945570574.db2.gz XPSWMTVMFWKXII-UHFFFAOYSA-N -1 1 386.366 1.287 20 0 GDADMM CN(C(=O)c1ccc(F)cc1F)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571267559 945573267 /nfs/dbraw/zinc/57/32/67/945573267.db2.gz YOYJQXWOBXJMRV-LLVKDONJSA-N -1 1 386.366 1.286 20 0 GDADMM CN(C(=O)c1ccc(F)cc1F)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571267559 945573273 /nfs/dbraw/zinc/57/32/73/945573273.db2.gz YOYJQXWOBXJMRV-LLVKDONJSA-N -1 1 386.366 1.286 20 0 GDADMM O=C(c1ccc(F)s1)N1CC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571268957 945607391 /nfs/dbraw/zinc/60/73/91/945607391.db2.gz LMLTZLZCNJFJTB-VHSXEESVSA-N -1 1 386.416 1.208 20 0 GDADMM COc1ccsc1C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571270375 945634715 /nfs/dbraw/zinc/63/47/15/945634715.db2.gz RSVIHZCBDJIUOT-MWLCHTKSSA-N -1 1 386.441 1.299 20 0 GDADMM COc1ccsc1C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571270375 945634722 /nfs/dbraw/zinc/63/47/22/945634722.db2.gz RSVIHZCBDJIUOT-MWLCHTKSSA-N -1 1 386.441 1.299 20 0 GDADMM COC1CC(C(=O)N2C[C@@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C(C)(C)C2)C1 ZINC001571272981 945676247 /nfs/dbraw/zinc/67/62/47/945676247.db2.gz MDJZFMBWKMALCY-ORHYLEIMSA-N -1 1 386.460 1.039 20 0 GDADMM COC1CC(C(=O)N2C[C@@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C(C)(C)C2)C1 ZINC001571272981 945676251 /nfs/dbraw/zinc/67/62/51/945676251.db2.gz MDJZFMBWKMALCY-ORHYLEIMSA-N -1 1 386.460 1.039 20 0 GDADMM O=C(C[C@@H]1CCOC1)N1CCC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571273190 945682439 /nfs/dbraw/zinc/68/24/39/945682439.db2.gz SEFLQIIVGGDKRJ-KBPBESRZSA-N -1 1 386.460 1.124 20 0 GDADMM O=C(C[C@@H]1CCOC1)N1CCC[C@@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571273190 945682446 /nfs/dbraw/zinc/68/24/46/945682446.db2.gz SEFLQIIVGGDKRJ-KBPBESRZSA-N -1 1 386.460 1.124 20 0 GDADMM CCc1nc(NC[C@H]2CCCN2C(=O)[C@@H]2CCCOC2)cc(-c2nnn[n-]2)n1 ZINC001571273468 945688558 /nfs/dbraw/zinc/68/85/58/945688558.db2.gz XYKLQTJWAYRCAI-CHWSQXEVSA-N -1 1 386.460 1.049 20 0 GDADMM CCc1nc(NC[C@H]2CCCN2C(=O)[C@@H]2CCCOC2)cc(-c2nn[n-]n2)n1 ZINC001571273468 945688565 /nfs/dbraw/zinc/68/85/65/945688565.db2.gz XYKLQTJWAYRCAI-CHWSQXEVSA-N -1 1 386.460 1.049 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCN(C(=O)[C@@H]3CCCOCC3)C2)n1 ZINC001571273442 945688635 /nfs/dbraw/zinc/68/86/35/945688635.db2.gz XNQLBVMXGVHCEL-ZIAGYGMSSA-N -1 1 386.460 1.185 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCN(C(=O)[C@@H]3CCCOCC3)C2)n1 ZINC001571273442 945688641 /nfs/dbraw/zinc/68/86/41/945688641.db2.gz XNQLBVMXGVHCEL-ZIAGYGMSSA-N -1 1 386.460 1.185 20 0 GDADMM C[C@@H]1CN(C(=O)C[C@H]2CCCCO2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571273475 945688775 /nfs/dbraw/zinc/68/87/75/945688775.db2.gz YARPIGRESRNPKC-MGPQQGTHSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H]1CN(C(=O)C[C@H]2CCCCO2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571273475 945688781 /nfs/dbraw/zinc/68/87/81/945688781.db2.gz YARPIGRESRNPKC-MGPQQGTHSA-N -1 1 386.460 1.122 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@]2(C)CCN(C(=O)[C@@H]3CCCOC3)C2)n1 ZINC001571273535 945690720 /nfs/dbraw/zinc/69/07/20/945690720.db2.gz ZIJJEJROESOAET-ACJLOTCBSA-N -1 1 386.460 1.042 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@]2(C)CCN(C(=O)[C@@H]3CCCOC3)C2)n1 ZINC001571273535 945690725 /nfs/dbraw/zinc/69/07/25/945690725.db2.gz ZIJJEJROESOAET-ACJLOTCBSA-N -1 1 386.460 1.042 20 0 GDADMM O=C(N[C@H]1CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1)C1CCOCC1 ZINC001571273506 945691308 /nfs/dbraw/zinc/69/13/08/945691308.db2.gz YTLBBRBWLGYHOX-KBPBESRZSA-N -1 1 386.460 1.170 20 0 GDADMM O=C(N[C@H]1CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1)C1CCOCC1 ZINC001571273506 945691318 /nfs/dbraw/zinc/69/13/18/945691318.db2.gz YTLBBRBWLGYHOX-KBPBESRZSA-N -1 1 386.460 1.170 20 0 GDADMM CC1(C)CN(C(=O)CC[C@H]2CCCO2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571275879 945717698 /nfs/dbraw/zinc/71/76/98/945717698.db2.gz DWISDRJUDMDUFI-TZMCWYRMSA-N -1 1 386.460 1.265 20 0 GDADMM CC1(C)CN(C(=O)CC[C@H]2CCCO2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571275879 945717705 /nfs/dbraw/zinc/71/77/05/945717705.db2.gz DWISDRJUDMDUFI-TZMCWYRMSA-N -1 1 386.460 1.265 20 0 GDADMM CCn1nccc1C(=O)NCC1CC(Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571281143 945798781 /nfs/dbraw/zinc/79/87/81/945798781.db2.gz CTTDCNGPHKYBIC-UHFFFAOYSA-N -1 1 387.473 1.469 20 0 GDADMM COC[C@H](NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)c1ccco1 ZINC000821682290 945804530 /nfs/dbraw/zinc/80/45/30/945804530.db2.gz ATDDTADVSZIUNC-ZDUSSCGKSA-N -1 1 386.412 1.614 20 0 GDADMM CCn1ccc(C(=O)N[C@]2(C)CCN(c3snc(C)c3-c3nn[n-]n3)C2)n1 ZINC001571281666 945810706 /nfs/dbraw/zinc/81/07/06/945810706.db2.gz LDKLIDYZVAFLJT-MRXNPFEDSA-N -1 1 387.473 1.247 20 0 GDADMM CC(=O)N1CCN(c2cccc(NC(=O)c3coc(-c4nnn[n-]4)c3)c2C)C1=O ZINC001573451151 945837054 /nfs/dbraw/zinc/83/70/54/945837054.db2.gz SGFPJEZBUOKEAM-UHFFFAOYSA-N -1 1 395.379 1.809 20 0 GDADMM CC(=O)N1CCN(c2cccc(NC(=O)c3coc(-c4nn[n-]n4)c3)c2C)C1=O ZINC001573451151 945837063 /nfs/dbraw/zinc/83/70/63/945837063.db2.gz SGFPJEZBUOKEAM-UHFFFAOYSA-N -1 1 395.379 1.809 20 0 GDADMM CCn1cc(C(=O)N2CCC[C@H]2CNc2snc(C)c2-c2nn[n-]n2)cn1 ZINC001571282439 945847375 /nfs/dbraw/zinc/84/73/75/945847375.db2.gz YKRKZKSMEWOZBC-LBPRGKRZSA-N -1 1 387.473 1.565 20 0 GDADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCN(C(=O)c2ccc(Cl)[nH]2)C1 ZINC001571283425 945886616 /nfs/dbraw/zinc/88/66/16/945886616.db2.gz FTEXWECPDMBITB-VHSXEESVSA-N -1 1 387.835 1.601 20 0 GDADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCN(C(=O)c2ccc(Cl)[nH]2)C1 ZINC001571283425 945886627 /nfs/dbraw/zinc/88/66/27/945886627.db2.gz FTEXWECPDMBITB-VHSXEESVSA-N -1 1 387.835 1.601 20 0 GDADMM O=C(c1cc(Cl)c[nH]1)N1CCC(CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571285601 945922448 /nfs/dbraw/zinc/92/24/48/945922448.db2.gz JSKQEJATIQYUQO-UHFFFAOYSA-N -1 1 387.835 1.603 20 0 GDADMM O=C(c1cc(Cl)c[nH]1)N1CCC(CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571285601 945922458 /nfs/dbraw/zinc/92/24/58/945922458.db2.gz JSKQEJATIQYUQO-UHFFFAOYSA-N -1 1 387.835 1.603 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@H](C2(NC(=O)c3ccc(-c4nnn[n-]4)o3)CC2)C1 ZINC001571286258 945941529 /nfs/dbraw/zinc/94/15/29/945941529.db2.gz CFWLPODVBUKHDL-NSHDSACASA-N -1 1 388.428 1.979 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@H](C2(NC(=O)c3ccc(-c4nn[n-]n4)o3)CC2)C1 ZINC001571286258 945941534 /nfs/dbraw/zinc/94/15/34/945941534.db2.gz CFWLPODVBUKHDL-NSHDSACASA-N -1 1 388.428 1.979 20 0 GDADMM CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001571286666 945955635 /nfs/dbraw/zinc/95/56/35/945955635.db2.gz OCFLGWWLJSNBDP-UWVGGRQHSA-N -1 1 388.432 1.567 20 0 GDADMM CC1(NC(=O)[C@@H]2CCC[C@H](F)C2)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571289151 945996326 /nfs/dbraw/zinc/99/63/26/945996326.db2.gz VZMKETUWVQWOOI-OLZOCXBDSA-N -1 1 388.451 1.660 20 0 GDADMM CC1(NC(=O)[C@@H]2CCC[C@H](F)C2)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571289151 945996329 /nfs/dbraw/zinc/99/63/29/945996329.db2.gz VZMKETUWVQWOOI-OLZOCXBDSA-N -1 1 388.451 1.660 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H]3CN(C(=O)C(C)(C)F)CC[C@@H]32)n1 ZINC001571289490 946006268 /nfs/dbraw/zinc/00/62/68/946006268.db2.gz FVIXQXKAOBRXRN-AAEUAGOBSA-N -1 1 388.451 1.394 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H]3CN(C(=O)C(C)(C)F)CC[C@@H]32)n1 ZINC001571289490 946006280 /nfs/dbraw/zinc/00/62/80/946006280.db2.gz FVIXQXKAOBRXRN-AAEUAGOBSA-N -1 1 388.451 1.394 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H]3CN(C(=O)C(C)(C)F)CC[C@@H]32)n1 ZINC001571289493 946006340 /nfs/dbraw/zinc/00/63/40/946006340.db2.gz FVIXQXKAOBRXRN-YPMHNXCESA-N -1 1 388.451 1.394 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H]3CN(C(=O)C(C)(C)F)CC[C@@H]32)n1 ZINC001571289493 946006350 /nfs/dbraw/zinc/00/63/50/946006350.db2.gz FVIXQXKAOBRXRN-YPMHNXCESA-N -1 1 388.451 1.394 20 0 GDADMM CC[C@@H](F)C(=O)N1CCC([C@@H]2CCCN2c2nccnc2-c2nnn[n-]2)CC1 ZINC001571289590 946012022 /nfs/dbraw/zinc/01/20/22/946012022.db2.gz ILYXHQUQWAAWJJ-KGLIPLIRSA-N -1 1 388.451 1.612 20 0 GDADMM CC[C@@H](F)C(=O)N1CCC([C@@H]2CCCN2c2nccnc2-c2nn[n-]n2)CC1 ZINC001571289590 946012032 /nfs/dbraw/zinc/01/20/32/946012032.db2.gz ILYXHQUQWAAWJJ-KGLIPLIRSA-N -1 1 388.451 1.612 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)[C@@H]2CCCN(C(=O)CC(C)(C)O)C2)n1 ZINC001571289912 946024417 /nfs/dbraw/zinc/02/44/17/946024417.db2.gz PPIKDNHQSZPZGC-CHWSQXEVSA-N -1 1 388.476 1.165 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)[C@@H]2CCCN(C(=O)CC(C)(C)O)C2)n1 ZINC001571289912 946024426 /nfs/dbraw/zinc/02/44/26/946024426.db2.gz PPIKDNHQSZPZGC-CHWSQXEVSA-N -1 1 388.476 1.165 20 0 GDADMM CN(C(=O)C1(F)CCCCC1)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571290191 946030450 /nfs/dbraw/zinc/03/04/50/946030450.db2.gz XJXGJEZZOQULDO-UHFFFAOYSA-N -1 1 388.451 1.756 20 0 GDADMM CN(C(=O)C1(F)CCCCC1)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571290191 946030462 /nfs/dbraw/zinc/03/04/62/946030462.db2.gz XJXGJEZZOQULDO-UHFFFAOYSA-N -1 1 388.451 1.756 20 0 GDADMM CS[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571290451 946043065 /nfs/dbraw/zinc/04/30/65/946043065.db2.gz FLLUYCCVJKBNDP-PEBVRCNWSA-N -1 1 388.501 1.449 20 0 GDADMM CS[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571290451 946043079 /nfs/dbraw/zinc/04/30/79/946043079.db2.gz FLLUYCCVJKBNDP-PEBVRCNWSA-N -1 1 388.501 1.449 20 0 GDADMM O=C(N[C@@H]1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccc(Cl)o1 ZINC001571290544 946047218 /nfs/dbraw/zinc/04/72/18/946047218.db2.gz IKVSDDFTOMPLBC-VHSXEESVSA-N -1 1 388.819 1.478 20 0 GDADMM CC[C@@H](SC)C(=O)N1CCC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001571290812 946057568 /nfs/dbraw/zinc/05/75/68/946057568.db2.gz PWXXBNCFLKPUPY-IACUBPJLSA-N -1 1 388.501 1.226 20 0 GDADMM CC[C@@H](SC)C(=O)N1CCC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571290812 946057580 /nfs/dbraw/zinc/05/75/80/946057580.db2.gz PWXXBNCFLKPUPY-IACUBPJLSA-N -1 1 388.501 1.226 20 0 GDADMM CCOc1cc(C(=O)N[C@H]2C[C@H](Nc3snc(C)c3-c3nn[n-]n3)C2)[nH]n1 ZINC001571293406 946104047 /nfs/dbraw/zinc/10/40/47/946104047.db2.gz HNXMQBNJYMTUCJ-KYZUINATSA-N -1 1 389.445 1.126 20 0 GDADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)c2cc(Cl)no2)CC1 ZINC001571294178 946127923 /nfs/dbraw/zinc/12/79/23/946127923.db2.gz CHHQDYPFNWEXQD-UHFFFAOYSA-N -1 1 389.807 1.405 20 0 GDADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)c2cc(Cl)no2)CC1 ZINC001571294178 946127933 /nfs/dbraw/zinc/12/79/33/946127933.db2.gz CHHQDYPFNWEXQD-UHFFFAOYSA-N -1 1 389.807 1.405 20 0 GDADMM O=C(N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)c1coc(C(F)F)c1 ZINC001571294252 946129329 /nfs/dbraw/zinc/12/93/29/946129329.db2.gz CJGGVTWXFWLLCX-JTQLQIEISA-N -1 1 390.354 1.586 20 0 GDADMM O=C(N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)c1coc(C(F)F)c1 ZINC001571294252 946129334 /nfs/dbraw/zinc/12/93/34/946129334.db2.gz CJGGVTWXFWLLCX-JTQLQIEISA-N -1 1 390.354 1.586 20 0 GDADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@H]1CCN(C(=O)c2coc(C(F)F)c2)C1 ZINC001571294422 946134724 /nfs/dbraw/zinc/13/47/24/946134724.db2.gz FMIRBTDIFZMGHY-JTQLQIEISA-N -1 1 390.354 1.538 20 0 GDADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)c2coc(C(F)F)c2)C1 ZINC001571294422 946134727 /nfs/dbraw/zinc/13/47/27/946134727.db2.gz FMIRBTDIFZMGHY-JTQLQIEISA-N -1 1 390.354 1.538 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1coc(C(F)F)c1 ZINC001571294619 946141444 /nfs/dbraw/zinc/14/14/44/946141444.db2.gz KDMYJZGPNQJWEE-WPRPVWTQSA-N -1 1 390.354 1.902 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1coc(C(F)F)c1 ZINC001571294619 946141448 /nfs/dbraw/zinc/14/14/48/946141448.db2.gz KDMYJZGPNQJWEE-WPRPVWTQSA-N -1 1 390.354 1.902 20 0 GDADMM C[C@@H]1CN(C(=O)c2coc(C(F)F)c2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571294808 946145985 /nfs/dbraw/zinc/14/59/85/946145985.db2.gz MJJBVFLKSXKETR-LDYMZIIASA-N -1 1 390.354 1.760 20 0 GDADMM C[C@@H]1CN(C(=O)c2coc(C(F)F)c2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571294808 946145989 /nfs/dbraw/zinc/14/59/89/946145989.db2.gz MJJBVFLKSXKETR-LDYMZIIASA-N -1 1 390.354 1.760 20 0 GDADMM O=C(NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCC1(F)F)C1=CCCC1 ZINC001571295315 946159956 /nfs/dbraw/zinc/15/99/56/946159956.db2.gz XRWQROJHCAGSTA-GFCCVEGCSA-N -1 1 390.398 1.345 20 0 GDADMM O=C(NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCC1(F)F)C1=CCCC1 ZINC001571295315 946159964 /nfs/dbraw/zinc/15/99/64/946159964.db2.gz XRWQROJHCAGSTA-GFCCVEGCSA-N -1 1 390.398 1.345 20 0 GDADMM O=C(Cc1ccccc1)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001571297978 946201551 /nfs/dbraw/zinc/20/15/51/946201551.db2.gz GIMCFCPPOYLLKD-JYJNAYRXSA-N -1 1 390.451 1.373 20 0 GDADMM O=C(Cc1ccccc1)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001571297978 946201562 /nfs/dbraw/zinc/20/15/62/946201562.db2.gz GIMCFCPPOYLLKD-JYJNAYRXSA-N -1 1 390.451 1.373 20 0 GDADMM Cc1nsc(N(C)C[C@@H]2CCN(C(=O)c3cncs3)C2)c1-c1nn[n-]n1 ZINC001571298106 946206704 /nfs/dbraw/zinc/20/67/04/946206704.db2.gz JSBTXQQPJYCQTA-JTQLQIEISA-N -1 1 390.498 1.687 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCN3c3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001571298576 946222451 /nfs/dbraw/zinc/22/24/51/946222451.db2.gz HFBURAVFKYDNAA-NVXWUHKLSA-N -1 1 390.451 1.706 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCN3c3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001571298576 946222457 /nfs/dbraw/zinc/22/24/57/946222457.db2.gz HFBURAVFKYDNAA-NVXWUHKLSA-N -1 1 390.451 1.706 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCN3c3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001571298578 946223008 /nfs/dbraw/zinc/22/30/08/946223008.db2.gz HFBURAVFKYDNAA-RDJZCZTQSA-N -1 1 390.451 1.706 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCN3c3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001571298578 946223022 /nfs/dbraw/zinc/22/30/22/946223022.db2.gz HFBURAVFKYDNAA-RDJZCZTQSA-N -1 1 390.451 1.706 20 0 GDADMM O=C(NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cscc1Cl ZINC001571299314 946245985 /nfs/dbraw/zinc/24/59/85/946245985.db2.gz KJWLCOBDFIUQSU-KYZUINATSA-N -1 1 390.860 1.992 20 0 GDADMM O=C(NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cscc1Cl ZINC001571299314 946245994 /nfs/dbraw/zinc/24/59/94/946245994.db2.gz KJWLCOBDFIUQSU-KYZUINATSA-N -1 1 390.860 1.992 20 0 GDADMM O=C(c1ccccc1)N1CC[C@]2(C1)CCCN(c1nccnc1-c1nnn[n-]1)C2 ZINC001571299589 946256170 /nfs/dbraw/zinc/25/61/70/946256170.db2.gz XZLZDBZBGFWIJB-HXUWFJFHSA-N -1 1 390.451 1.789 20 0 GDADMM O=C(c1ccccc1)N1CC[C@]2(C1)CCCN(c1nccnc1-c1nn[n-]n1)C2 ZINC001571299589 946256182 /nfs/dbraw/zinc/25/61/82/946256182.db2.gz XZLZDBZBGFWIJB-HXUWFJFHSA-N -1 1 390.451 1.789 20 0 GDADMM Cc1nsc(N2C[C@@H](C)[C@H](NC(=O)Cc3cncs3)C2)c1-c1nn[n-]n1 ZINC001571299684 946258683 /nfs/dbraw/zinc/25/86/83/946258683.db2.gz ZAWKFDGTBQZRMU-LDYMZIIASA-N -1 1 390.498 1.272 20 0 GDADMM Cc1cnccc1C(=O)N1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)CC1 ZINC001571299926 946266828 /nfs/dbraw/zinc/26/68/28/946266828.db2.gz RGBOYCAKJIDLNQ-UHFFFAOYSA-N -1 1 390.860 1.642 20 0 GDADMM Cc1cnccc1C(=O)N1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)CC1 ZINC001571299926 946266838 /nfs/dbraw/zinc/26/68/38/946266838.db2.gz RGBOYCAKJIDLNQ-UHFFFAOYSA-N -1 1 390.860 1.642 20 0 GDADMM C[S@](=O)Cc1ccc(CNC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)cc1 ZINC001571301851 946284623 /nfs/dbraw/zinc/28/46/23/946284623.db2.gz FUYDWMPCIYEEHD-MHZLTWQESA-N -1 1 391.403 1.953 20 0 GDADMM C[S@](=O)Cc1ccc(CNC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)cc1 ZINC001571301851 946284629 /nfs/dbraw/zinc/28/46/29/946284629.db2.gz FUYDWMPCIYEEHD-MHZLTWQESA-N -1 1 391.403 1.953 20 0 GDADMM C[C@@H]1[C@@H](CO)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC001571302332 946301423 /nfs/dbraw/zinc/30/14/23/946301423.db2.gz UYESQLJTRLXNAS-RKDXNWHRSA-N -1 1 391.375 1.277 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCN3c3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001571302707 946313654 /nfs/dbraw/zinc/31/36/54/946313654.db2.gz GFUDTSCYSYNUQH-GOEBONIOSA-N -1 1 391.439 1.101 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCN3c3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571302707 946313670 /nfs/dbraw/zinc/31/36/70/946313670.db2.gz GFUDTSCYSYNUQH-GOEBONIOSA-N -1 1 391.439 1.101 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@H]3[C@@H](CCN3c3ccnc(-c4nn[n-]n4)n3)C2)n1 ZINC001571302824 946315665 /nfs/dbraw/zinc/31/56/65/946315665.db2.gz GPPMCKFXPOFJLQ-ZFWWWQNUSA-N -1 1 391.439 1.101 20 0 GDADMM Cc1cc(C)nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nnn[n-]3)nn2)c1 ZINC001571302906 946318185 /nfs/dbraw/zinc/31/81/85/946318185.db2.gz IVZGZPWWAIVRGE-INWMFGNUSA-N -1 1 391.439 1.208 20 0 GDADMM Cc1cc(C)nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nn2)c1 ZINC001571302906 946318197 /nfs/dbraw/zinc/31/81/97/946318197.db2.gz IVZGZPWWAIVRGE-INWMFGNUSA-N -1 1 391.439 1.208 20 0 GDADMM Cc1cncc(C(=O)N2CC[C@@H]3[C@H](CCN3c3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571303247 946330376 /nfs/dbraw/zinc/33/03/76/946330376.db2.gz MMWFEXVLVQPTSW-UKRRQHHQSA-N -1 1 391.439 1.101 20 0 GDADMM Cc1cncc(C(=O)N2CC[C@@H]3[C@H](CCN3c3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571303247 946330387 /nfs/dbraw/zinc/33/03/87/946330387.db2.gz MMWFEXVLVQPTSW-UKRRQHHQSA-N -1 1 391.439 1.101 20 0 GDADMM O=C(c1cccnc1)N1CCC2(CCN(c3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001571303290 946330568 /nfs/dbraw/zinc/33/05/68/946330568.db2.gz NWOZOJJLXUATGX-UHFFFAOYSA-N -1 1 391.439 1.184 20 0 GDADMM O=C(c1cccnc1)N1CCC2(CCN(c3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001571303290 946330577 /nfs/dbraw/zinc/33/05/77/946330577.db2.gz NWOZOJJLXUATGX-UHFFFAOYSA-N -1 1 391.439 1.184 20 0 GDADMM O=C(c1cccnc1C1CC1)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571303613 946342640 /nfs/dbraw/zinc/34/26/40/946342640.db2.gz UKMZPLAXCDWJAZ-ZDUSSCGKSA-N -1 1 391.439 1.646 20 0 GDADMM O=C(c1cccnc1C1CC1)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571303613 946342651 /nfs/dbraw/zinc/34/26/51/946342651.db2.gz UKMZPLAXCDWJAZ-ZDUSSCGKSA-N -1 1 391.439 1.646 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c(C2CC2)n1 ZINC001571303769 946346622 /nfs/dbraw/zinc/34/66/22/946346622.db2.gz XSFUQWCKFOHMLN-CYBMUJFWSA-N -1 1 391.439 1.564 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c(C2CC2)n1 ZINC001571303769 946346637 /nfs/dbraw/zinc/34/66/37/946346637.db2.gz XSFUQWCKFOHMLN-CYBMUJFWSA-N -1 1 391.439 1.564 20 0 GDADMM C[C@@H]1CN(C(=O)c2cccnc2C2CC2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571304176 946360382 /nfs/dbraw/zinc/36/03/82/946360382.db2.gz ZPESYZQNGPHXSW-IAQYHMDHSA-N -1 1 391.439 1.502 20 0 GDADMM C[C@@H]1CN(C(=O)c2cccnc2C2CC2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571304176 946360393 /nfs/dbraw/zinc/36/03/93/946360393.db2.gz ZPESYZQNGPHXSW-IAQYHMDHSA-N -1 1 391.439 1.502 20 0 GDADMM Cc1nsc(N2CCOC[C@H]2CNC(=O)[C@H]2CCC2(C)C)c1-c1nn[n-]n1 ZINC001571305492 946363365 /nfs/dbraw/zinc/36/33/65/946363365.db2.gz CKRCRJNOKHQXKU-VXGBXAGGSA-N -1 1 391.501 1.389 20 0 GDADMM Cc1nsc(N2CCC[C@@H](NC(=O)c3cnns3)[C@H]2C)c1-c1nn[n-]n1 ZINC001571305689 946372178 /nfs/dbraw/zinc/37/21/78/946372178.db2.gz JJGLQJNCAXXHEG-RKDXNWHRSA-N -1 1 391.486 1.270 20 0 GDADMM O=C(c1cccnn1)N1CCC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571305805 946375953 /nfs/dbraw/zinc/37/59/53/946375953.db2.gz KIKOTBGEQIUBLC-QMMMGPOBSA-N -1 1 391.848 1.483 20 0 GDADMM O=C(c1cccnn1)N1CCC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571305805 946375962 /nfs/dbraw/zinc/37/59/62/946375962.db2.gz KIKOTBGEQIUBLC-QMMMGPOBSA-N -1 1 391.848 1.483 20 0 GDADMM CCOC1CC(C(=O)N[C@@H]2CCCN(c3snc(C)c3-c3nn[n-]n3)C2)C1 ZINC001571305886 946378838 /nfs/dbraw/zinc/37/88/38/946378838.db2.gz MZCNEZKRBZJTIA-OTTFEQOBSA-N -1 1 391.501 1.532 20 0 GDADMM Cc1nsc(N[C@H]2CCCN(C(=O)C[C@@H]3CCCOC3)C2)c1-c1nn[n-]n1 ZINC001571306238 946392835 /nfs/dbraw/zinc/39/28/35/946392835.db2.gz QZMOMVIGNCJFKF-STQMWFEESA-N -1 1 391.501 1.851 20 0 GDADMM O=C(c1ccncn1)N1CCC(Nc2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001571306361 946398395 /nfs/dbraw/zinc/39/83/95/946398395.db2.gz UFSJSSYNHSHCOA-UHFFFAOYSA-N -1 1 391.848 1.483 20 0 GDADMM Cc1nsc(N[C@H]2CC[C@H](NC(=O)[C@@]3(C)CCOC3)CC2)c1-c1nn[n-]n1 ZINC001571306374 946398420 /nfs/dbraw/zinc/39/84/20/946398420.db2.gz UNVVDZUICCONHY-PRXAMGSTSA-N -1 1 391.501 1.898 20 0 GDADMM CO[C@@H]1CN(c2snc(C)c2-c2nn[n-]n2)C[C@H]1NC(=O)CC1CCCC1 ZINC001571306513 946402651 /nfs/dbraw/zinc/40/26/51/946402651.db2.gz WBHRNKDTEZDJFL-CHWSQXEVSA-N -1 1 391.501 1.532 20 0 GDADMM O=C(NC[C@@H]1CCCN1c1nc(-c2nn[n-]n2)c(Cl)s1)c1ccnnc1 ZINC001571306553 946405424 /nfs/dbraw/zinc/40/54/24/946405424.db2.gz XFMBGIZHHNFHHX-VIFPVBQESA-N -1 1 391.848 1.165 20 0 GDADMM CO[C@@H](C)C(=O)N1C[C@]2(C)CN(c3snc(C)c3-c3nn[n-]n3)C[C@]2(C)C1 ZINC001571306666 946407828 /nfs/dbraw/zinc/40/78/28/946407828.db2.gz ZIUKFBPNSOGABP-MZPVMMEZSA-N -1 1 391.501 1.341 20 0 GDADMM Cc1nsc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC[C@@H](F)C2)c1-c1nn[n-]n1 ZINC001571307001 946413684 /nfs/dbraw/zinc/41/36/84/946413684.db2.gz STHKRRCBMSMZMK-SVPLCASGSA-N -1 1 391.476 1.711 20 0 GDADMM CN(C[C@H]1CCCN(C(=O)[C@@H]2CCC2(F)F)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571307387 946423733 /nfs/dbraw/zinc/42/37/33/946423733.db2.gz CYBQLKSZFHRDDD-NEPJUHHUSA-N -1 1 392.414 1.377 20 0 GDADMM CC1(C)CN(c2nccnc2-c2nnn[n-]2)CC[C@H]1NC(=O)[C@H]1C[C@@H]1C(F)F ZINC001571307605 946425056 /nfs/dbraw/zinc/42/50/56/946425056.db2.gz GEZOHNZNBDCDED-GARJFASQSA-N -1 1 392.414 1.279 20 0 GDADMM CC1(C)CN(c2nccnc2-c2nn[n-]n2)CC[C@H]1NC(=O)[C@H]1C[C@@H]1C(F)F ZINC001571307605 946425063 /nfs/dbraw/zinc/42/50/63/946425063.db2.gz GEZOHNZNBDCDED-GARJFASQSA-N -1 1 392.414 1.279 20 0 GDADMM CN(C[C@H]1CCN(C(=O)C2(C)CC(F)(F)C2)C1)c1nccnc1-c1nnn[n-]1 ZINC001571307582 946425335 /nfs/dbraw/zinc/42/53/35/946425335.db2.gz FNTPVWYYICUCEJ-LLVKDONJSA-N -1 1 392.414 1.377 20 0 GDADMM CN(C[C@H]1CCN(C(=O)C2(C)CC(F)(F)C2)C1)c1nccnc1-c1nn[n-]n1 ZINC001571307582 946425337 /nfs/dbraw/zinc/42/53/37/946425337.db2.gz FNTPVWYYICUCEJ-LLVKDONJSA-N -1 1 392.414 1.377 20 0 GDADMM C[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)C(C)(F)F ZINC001571309029 946440239 /nfs/dbraw/zinc/44/02/39/946440239.db2.gz WBZXXLXKNXWWGL-UTUOFQBUSA-N -1 1 392.414 1.518 20 0 GDADMM C[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)C(C)(F)F ZINC001571309029 946440246 /nfs/dbraw/zinc/44/02/46/946440246.db2.gz WBZXXLXKNXWWGL-UTUOFQBUSA-N -1 1 392.414 1.518 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)[C@@H]1CCCCC1(F)F ZINC001571309849 946454541 /nfs/dbraw/zinc/45/45/41/946454541.db2.gz MSDZGKQYDUNOBH-NEPJUHHUSA-N -1 1 392.414 1.567 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)[C@@H]1CCCCC1(F)F ZINC001571309849 946454545 /nfs/dbraw/zinc/45/45/45/946454545.db2.gz MSDZGKQYDUNOBH-NEPJUHHUSA-N -1 1 392.414 1.567 20 0 GDADMM O=C(C[C@H]1CCCC1(F)F)N[C@H]1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571309936 946456607 /nfs/dbraw/zinc/45/66/07/946456607.db2.gz PWDHXMVSAWQRJT-IJLUTSLNSA-N -1 1 392.414 1.789 20 0 GDADMM O=C(C[C@H]1CCCC1(F)F)N[C@H]1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571309936 946456625 /nfs/dbraw/zinc/45/66/25/946456625.db2.gz PWDHXMVSAWQRJT-IJLUTSLNSA-N -1 1 392.414 1.789 20 0 GDADMM O=C(C[C@@H]1CCC(F)(F)C1)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571310067 946462049 /nfs/dbraw/zinc/46/20/49/946462049.db2.gz UGOPTKYZRAIRJR-NSHDSACASA-N -1 1 392.414 1.885 20 0 GDADMM O=C(C[C@@H]1CCC(F)(F)C1)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571310067 946462054 /nfs/dbraw/zinc/46/20/54/946462054.db2.gz UGOPTKYZRAIRJR-NSHDSACASA-N -1 1 392.414 1.885 20 0 GDADMM CCc1ccccc1CC(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571312678 946497379 /nfs/dbraw/zinc/49/73/79/946497379.db2.gz AGDZKDNVPZHTRD-MRXNPFEDSA-N -1 1 392.467 1.547 20 0 GDADMM CCc1ccccc1CC(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571312678 946497387 /nfs/dbraw/zinc/49/73/87/946497387.db2.gz AGDZKDNVPZHTRD-MRXNPFEDSA-N -1 1 392.467 1.547 20 0 GDADMM CC[C@H](Cc1ccccc1)C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571312937 946505819 /nfs/dbraw/zinc/50/58/19/946505819.db2.gz FXSGGXFBTPBSQT-HZPDHXFCSA-N -1 1 392.467 1.938 20 0 GDADMM CC[C@H](Cc1ccccc1)C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571312937 946505825 /nfs/dbraw/zinc/50/58/25/946505825.db2.gz FXSGGXFBTPBSQT-HZPDHXFCSA-N -1 1 392.467 1.938 20 0 GDADMM CCc1ccccc1C(=O)N[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001571313001 946507161 /nfs/dbraw/zinc/50/71/61/946507161.db2.gz HJKSSOHBMDEDBO-CJNGLKHVSA-N -1 1 392.467 1.925 20 0 GDADMM CCc1ccccc1C(=O)N[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001571313001 946507169 /nfs/dbraw/zinc/50/71/69/946507169.db2.gz HJKSSOHBMDEDBO-CJNGLKHVSA-N -1 1 392.467 1.925 20 0 GDADMM CCCc1ccccc1C(=O)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571313474 946523870 /nfs/dbraw/zinc/52/38/70/946523870.db2.gz PEUPYVKKHMZDLY-CQSZACIVSA-N -1 1 392.467 1.605 20 0 GDADMM O=C(c1cccc2c1CCOC2)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571313564 946526246 /nfs/dbraw/zinc/52/62/46/946526246.db2.gz RVSJNDUWOYZDII-ZDUSSCGKSA-N -1 1 392.423 1.056 20 0 GDADMM O=C(c1cccc2c1CCOC2)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571313564 946526251 /nfs/dbraw/zinc/52/62/51/946526251.db2.gz RVSJNDUWOYZDII-ZDUSSCGKSA-N -1 1 392.423 1.056 20 0 GDADMM Cc1ccc(CCC(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@H]2C)cc1 ZINC001571315405 946552518 /nfs/dbraw/zinc/55/25/18/946552518.db2.gz JOWZBFQKLGATPO-GDBMZVCRSA-N -1 1 392.467 1.999 20 0 GDADMM Cc1ccc(CCC(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@H]2C)cc1 ZINC001571315405 946552526 /nfs/dbraw/zinc/55/25/26/946552526.db2.gz JOWZBFQKLGATPO-GDBMZVCRSA-N -1 1 392.467 1.999 20 0 GDADMM Cc1ccc(C)c(CC(=O)N2CC[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)c1 ZINC001571315664 946557819 /nfs/dbraw/zinc/55/78/19/946557819.db2.gz NLKCQICQOMSNDZ-INIZCTEOSA-N -1 1 392.467 1.837 20 0 GDADMM Cc1ccc(C)c(CC(=O)N2CC[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)c1 ZINC001571315664 946557828 /nfs/dbraw/zinc/55/78/28/946557828.db2.gz NLKCQICQOMSNDZ-INIZCTEOSA-N -1 1 392.467 1.837 20 0 GDADMM Cc1ccccc1[C@H](C)C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571316615 946582880 /nfs/dbraw/zinc/58/28/80/946582880.db2.gz ICORNJBELOFQND-GJZGRUSLSA-N -1 1 392.467 1.854 20 0 GDADMM Cc1ccccc1[C@H](C)C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571316615 946582888 /nfs/dbraw/zinc/58/28/88/946582888.db2.gz ICORNJBELOFQND-GJZGRUSLSA-N -1 1 392.467 1.854 20 0 GDADMM Cc1cccc(CCC(=O)N2C[C@@H](C)[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571316662 946584372 /nfs/dbraw/zinc/58/43/72/946584372.db2.gz JIKXZLZKUUESPY-PBHICJAKSA-N -1 1 392.467 1.857 20 0 GDADMM Cc1cccc(CCC(=O)N2C[C@@H](C)[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571316662 946584377 /nfs/dbraw/zinc/58/43/77/946584377.db2.gz JIKXZLZKUUESPY-PBHICJAKSA-N -1 1 392.467 1.857 20 0 GDADMM C[C@@H]1[C@H](C)OC[C@]12CC[C@H](CNC(=O)NCc1ccc(-c3nn[n-]n3)s1)O2 ZINC001571317593 946613286 /nfs/dbraw/zinc/61/32/86/946613286.db2.gz NWMRNCCKGNFVPD-UZTWBRENSA-N -1 1 392.485 1.700 20 0 GDADMM Brc1cnc([C@H]2CCCN(c3ncncc3-c3nn[n-]n3)C2)nc1 ZINC001573280115 946654324 /nfs/dbraw/zinc/65/43/24/946654324.db2.gz RBQZEPPSULADTK-VIFPVBQESA-N -1 1 388.233 1.593 20 0 GDADMM CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC[C@@H]1c1cccc(F)c1 ZINC001573537610 946753010 /nfs/dbraw/zinc/75/30/10/946753010.db2.gz GXCYFULIHQKFCC-GDBMZVCRSA-N -1 1 382.403 1.294 20 0 GDADMM CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC[C@@H]1c1cccc(F)c1 ZINC001573537610 946753014 /nfs/dbraw/zinc/75/30/14/946753014.db2.gz GXCYFULIHQKFCC-GDBMZVCRSA-N -1 1 382.403 1.294 20 0 GDADMM CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825204906 947117743 /nfs/dbraw/zinc/11/77/43/947117743.db2.gz UBSOZUPYBPJMJG-OLZOCXBDSA-N -1 1 389.460 1.105 20 0 GDADMM CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825204906 947117750 /nfs/dbraw/zinc/11/77/50/947117750.db2.gz UBSOZUPYBPJMJG-OLZOCXBDSA-N -1 1 389.460 1.105 20 0 GDADMM CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)C1 ZINC000825233158 947128310 /nfs/dbraw/zinc/12/83/10/947128310.db2.gz NSQMBNMXJJPXCK-YPMHNXCESA-N -1 1 389.460 1.249 20 0 GDADMM CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)C1 ZINC000825233158 947128322 /nfs/dbraw/zinc/12/83/22/947128322.db2.gz NSQMBNMXJJPXCK-YPMHNXCESA-N -1 1 389.460 1.249 20 0 GDADMM CCNC(=O)N1CCc2ccc(NC(=O)Cc3noc(C)c3-c3nnn[n-]3)cc21 ZINC000825471400 947197084 /nfs/dbraw/zinc/19/70/84/947197084.db2.gz TYFSPKAZXYBWLH-UHFFFAOYSA-N -1 1 396.411 1.436 20 0 GDADMM CCNC(=O)N1CCc2ccc(NC(=O)Cc3noc(C)c3-c3nn[n-]n3)cc21 ZINC000825471400 947197087 /nfs/dbraw/zinc/19/70/87/947197087.db2.gz TYFSPKAZXYBWLH-UHFFFAOYSA-N -1 1 396.411 1.436 20 0 GDADMM CCOC(=O)[C@]1(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)CCc2ccccc21 ZINC000825491927 947202570 /nfs/dbraw/zinc/20/25/70/947202570.db2.gz AMVKWMKOQHXWEL-IBGZPJMESA-N -1 1 396.407 1.227 20 0 GDADMM CCOC(=O)[C@]1(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)CCc2ccccc21 ZINC000825491927 947202576 /nfs/dbraw/zinc/20/25/76/947202576.db2.gz AMVKWMKOQHXWEL-IBGZPJMESA-N -1 1 396.407 1.227 20 0 GDADMM CCOC(=O)c1cnn(Cc2nc([C@@H](C)OCC(C)C)no2)c1-c1nn[n-]n1 ZINC000825571277 947236997 /nfs/dbraw/zinc/23/69/97/947236997.db2.gz WZHKILRCECHYDF-SNVBAGLBSA-N -1 1 390.404 1.405 20 0 GDADMM CNS(=O)(=O)c1ccccc1NS(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000326937092 971347583 /nfs/dbraw/zinc/34/75/83/971347583.db2.gz WQKJWFVMLVJYQK-UHFFFAOYSA-N -1 1 384.435 1.235 20 0 GDADMM CCOc1cccc([C@@H]2C[C@H]2NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000825649350 947272418 /nfs/dbraw/zinc/27/24/18/947272418.db2.gz PLWPSESVOKNWHJ-GOEBONIOSA-N -1 1 386.437 1.495 20 0 GDADMM CCOc1cccc([C@@H]2C[C@H]2NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000825649350 947272426 /nfs/dbraw/zinc/27/24/26/947272426.db2.gz PLWPSESVOKNWHJ-GOEBONIOSA-N -1 1 386.437 1.495 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H](C)c1ccccc1F ZINC001573586148 947280605 /nfs/dbraw/zinc/28/06/05/947280605.db2.gz KZWBUQFQXWAVFM-RYUDHWBXSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H](C)c1ccccc1F ZINC001573586148 947280609 /nfs/dbraw/zinc/28/06/09/947280609.db2.gz KZWBUQFQXWAVFM-RYUDHWBXSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@H](C)c1cccc(F)c1 ZINC001573586277 947281801 /nfs/dbraw/zinc/28/18/01/947281801.db2.gz NEAXGBKWOZALKX-VXGBXAGGSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@H](C)c1cccc(F)c1 ZINC001573586277 947281818 /nfs/dbraw/zinc/28/18/18/947281818.db2.gz NEAXGBKWOZALKX-VXGBXAGGSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1ccnc(-c2nn[n-]n2)n1)n1cccc1 ZINC001573591481 947312491 /nfs/dbraw/zinc/31/24/91/947312491.db2.gz BTPQOKMJYWEBFJ-ZDUSSCGKSA-N -1 1 383.460 1.038 20 0 GDADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1cncc(-c2nnn[n-]2)n1)C(C)(F)F ZINC001573593132 947361119 /nfs/dbraw/zinc/36/11/19/947361119.db2.gz QJGLAOQNMJXPTH-SNVBAGLBSA-N -1 1 382.419 1.845 20 0 GDADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1cncc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001573593132 947361129 /nfs/dbraw/zinc/36/11/29/947361129.db2.gz QJGLAOQNMJXPTH-SNVBAGLBSA-N -1 1 382.419 1.845 20 0 GDADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1cnc(-c2nnn[n-]2)cn1)[C@H]1CCCO1 ZINC001573593688 947376253 /nfs/dbraw/zinc/37/62/53/947376253.db2.gz URSHWXKVLJCZJT-TZMCWYRMSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1cnc(-c2nn[n-]n2)cn1)[C@H]1CCCO1 ZINC001573593688 947376269 /nfs/dbraw/zinc/37/62/69/947376269.db2.gz URSHWXKVLJCZJT-TZMCWYRMSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1nccnc1-c1nnn[n-]1)[C@H]1CCCO1 ZINC001573594427 947395979 /nfs/dbraw/zinc/39/59/79/947395979.db2.gz YUYMRPPVDLUEHY-QWHCGFSZSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1nccnc1-c1nn[n-]n1)[C@H]1CCCO1 ZINC001573594427 947395991 /nfs/dbraw/zinc/39/59/91/947395991.db2.gz YUYMRPPVDLUEHY-QWHCGFSZSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@H](C(=O)N(C)C1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccsc1 ZINC001573594536 947398879 /nfs/dbraw/zinc/39/88/79/947398879.db2.gz PTKIGRWNYLNPBP-PKSQDBQZSA-N -1 1 384.469 1.345 20 0 GDADMM C[C@@H](C(=O)N(C)CCCN(C)c1cnc(-c2nnn[n-]2)cn1)c1cccs1 ZINC001573598834 947448038 /nfs/dbraw/zinc/44/80/38/947448038.db2.gz SEUUPBLPKQIQGV-GFCCVEGCSA-N -1 1 386.485 1.807 20 0 GDADMM C[C@@H](C(=O)N(C)CCCN(C)c1cnc(-c2nn[n-]n2)cn1)c1cccs1 ZINC001573598834 947448043 /nfs/dbraw/zinc/44/80/43/947448043.db2.gz SEUUPBLPKQIQGV-GFCCVEGCSA-N -1 1 386.485 1.807 20 0 GDADMM C[C@@H](C(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1)c1ccc(F)cc1F ZINC001573602878 947473943 /nfs/dbraw/zinc/47/39/43/947473943.db2.gz ASGYSKGCEWEGLH-SNVBAGLBSA-N -1 1 388.382 1.609 20 0 GDADMM C[C@@H](C(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1)c1ccc(F)cc1F ZINC001573602878 947473951 /nfs/dbraw/zinc/47/39/51/947473951.db2.gz ASGYSKGCEWEGLH-SNVBAGLBSA-N -1 1 388.382 1.609 20 0 GDADMM C[C@@H](C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1)c1ccc(F)c(F)c1 ZINC001573603189 947478527 /nfs/dbraw/zinc/47/85/27/947478527.db2.gz DIIVWPOHUCFLCE-SNVBAGLBSA-N -1 1 388.382 1.609 20 0 GDADMM C[C@@H](C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1)c1ccc(F)c(F)c1 ZINC001573603189 947478534 /nfs/dbraw/zinc/47/85/34/947478534.db2.gz DIIVWPOHUCFLCE-SNVBAGLBSA-N -1 1 388.382 1.609 20 0 GDADMM COc1ccc(C(=O)N(C)C)cc1NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000826187524 947574930 /nfs/dbraw/zinc/57/49/30/947574930.db2.gz UWDORGDDUUQDQO-UHFFFAOYSA-N -1 1 385.384 1.055 20 0 GDADMM COc1ccc(C(=O)N(C)C)cc1NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000826187524 947574933 /nfs/dbraw/zinc/57/49/33/947574933.db2.gz UWDORGDDUUQDQO-UHFFFAOYSA-N -1 1 385.384 1.055 20 0 GDADMM C[C@@H](C(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C(C)(C)C1)C(F)(F)F ZINC001573614303 947581790 /nfs/dbraw/zinc/58/17/90/947581790.db2.gz LOTRFNKJJNCJHP-WPRPVWTQSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@@H](C(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C(C)(C)C1)C(F)(F)F ZINC001573614303 947581801 /nfs/dbraw/zinc/58/18/01/947581801.db2.gz LOTRFNKJJNCJHP-WPRPVWTQSA-N -1 1 384.366 1.504 20 0 GDADMM COc1ccc(COCCCNC(=O)Cc2noc(C)c2-c2nnn[n-]2)cc1 ZINC000826206669 947608653 /nfs/dbraw/zinc/60/86/53/947608653.db2.gz GOARMZAPHOCIHL-UHFFFAOYSA-N -1 1 386.412 1.437 20 0 GDADMM COc1ccc(COCCCNC(=O)Cc2noc(C)c2-c2nn[n-]n2)cc1 ZINC000826206669 947608663 /nfs/dbraw/zinc/60/86/63/947608663.db2.gz GOARMZAPHOCIHL-UHFFFAOYSA-N -1 1 386.412 1.437 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001573616282 947621454 /nfs/dbraw/zinc/62/14/54/947621454.db2.gz MNQKODUOMPIDHT-VHSXEESVSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CCNc2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573616282 947621466 /nfs/dbraw/zinc/62/14/66/947621466.db2.gz MNQKODUOMPIDHT-VHSXEESVSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@H](C(=O)N1CC[C@](C)(CNc2cnc(-c3nnn[n-]3)cn2)C1)C(C)(F)F ZINC001573616675 947625336 /nfs/dbraw/zinc/62/53/36/947625336.db2.gz MWWAPDOQHHXWTD-MEBBXXQBSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H](C(=O)N1CC[C@](C)(CNc2cnc(-c3nn[n-]n3)cn2)C1)C(C)(F)F ZINC001573616675 947625340 /nfs/dbraw/zinc/62/53/40/947625340.db2.gz MWWAPDOQHHXWTD-MEBBXXQBSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CCNc2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001573616777 947627073 /nfs/dbraw/zinc/62/70/73/947627073.db2.gz NPELQFCMJQNNMU-NXEZZACHSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CCNc2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001573616777 947627081 /nfs/dbraw/zinc/62/70/81/947627081.db2.gz NPELQFCMJQNNMU-NXEZZACHSA-N -1 1 384.366 1.506 20 0 GDADMM C=Cc1ccc(C(=O)N2CCN(c3cc(-c4nnn[n-]4)nc(CC)n3)CC2)cc1 ZINC001573355064 947640911 /nfs/dbraw/zinc/64/09/11/947640911.db2.gz LPFZYHRKRGDYEN-UHFFFAOYSA-N -1 1 390.451 1.825 20 0 GDADMM C=Cc1ccc(C(=O)N2CCN(c3cc(-c4nn[n-]n4)nc(CC)n3)CC2)cc1 ZINC001573355064 947640921 /nfs/dbraw/zinc/64/09/21/947640921.db2.gz LPFZYHRKRGDYEN-UHFFFAOYSA-N -1 1 390.451 1.825 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C2CC2)cc1 ZINC001573355441 947643818 /nfs/dbraw/zinc/64/38/18/947643818.db2.gz PIVUFJKUYQKQKP-OAHLLOKOSA-N -1 1 376.424 1.342 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1)c1ccsc1 ZINC001573619151 947660641 /nfs/dbraw/zinc/66/06/41/947660641.db2.gz UIJRBIFTNXMAKD-YPMHNXCESA-N -1 1 384.469 1.559 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1)c1ccsc1 ZINC001573619151 947660647 /nfs/dbraw/zinc/66/06/47/947660647.db2.gz UIJRBIFTNXMAKD-YPMHNXCESA-N -1 1 384.469 1.559 20 0 GDADMM C[C@H](C(=O)N1CC[C@@](C)(CNc2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001573619958 947673614 /nfs/dbraw/zinc/67/36/14/947673614.db2.gz XTSCFSAIRRTSME-OTYXRUKQSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@H](C(=O)N1CC[C@@](C)(CNc2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573619958 947673621 /nfs/dbraw/zinc/67/36/21/947673621.db2.gz XTSCFSAIRRTSME-OTYXRUKQSA-N -1 1 384.366 1.506 20 0 GDADMM C=Cc1ccc(C(=O)NCC[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001573359445 947684788 /nfs/dbraw/zinc/68/47/88/947684788.db2.gz TYDWNVWIYHWORY-HNNXBMFYSA-N -1 1 390.451 1.946 20 0 GDADMM C=Cc1ccc(C(=O)NCC[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001573359445 947684796 /nfs/dbraw/zinc/68/47/96/947684796.db2.gz TYDWNVWIYHWORY-HNNXBMFYSA-N -1 1 390.451 1.946 20 0 GDADMM C=Cc1ccc(C(=O)NCC[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)cc1 ZINC001573359725 947689927 /nfs/dbraw/zinc/68/99/27/947689927.db2.gz ZKFMCRMRVGTWJP-OAHLLOKOSA-N -1 1 390.451 1.946 20 0 GDADMM C=Cc1ccc(C(=O)NCC[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)cc1 ZINC001573359725 947689933 /nfs/dbraw/zinc/68/99/33/947689933.db2.gz ZKFMCRMRVGTWJP-OAHLLOKOSA-N -1 1 390.451 1.946 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cccc(F)c1 ZINC001573625924 947704117 /nfs/dbraw/zinc/70/41/17/947704117.db2.gz QFUVWFGEKARPKO-RISCZKNCSA-N -1 1 382.403 1.612 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cccc(F)c1 ZINC001573625924 947704129 /nfs/dbraw/zinc/70/41/29/947704129.db2.gz QFUVWFGEKARPKO-RISCZKNCSA-N -1 1 382.403 1.612 20 0 GDADMM C/C(=C/C(=O)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)[C@H](C)C1)C1CC1 ZINC001573364927 947728155 /nfs/dbraw/zinc/72/81/55/947728155.db2.gz RVMNNJWPTBELSN-ZGJHENKESA-N -1 1 382.472 1.910 20 0 GDADMM C/C(=C/C(=O)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)[C@H](C)C1)C1CC1 ZINC001573364927 947728161 /nfs/dbraw/zinc/72/81/61/947728161.db2.gz RVMNNJWPTBELSN-ZGJHENKESA-N -1 1 382.472 1.910 20 0 GDADMM C[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001573627823 947733809 /nfs/dbraw/zinc/73/38/09/947733809.db2.gz CTKVUQZQZDMXBI-UTUOFQBUSA-N -1 1 392.414 1.518 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cccs1 ZINC001573628179 947747860 /nfs/dbraw/zinc/74/78/60/947747860.db2.gz GCQLLSXBPULLJO-VXGBXAGGSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573628179 947747870 /nfs/dbraw/zinc/74/78/70/947747870.db2.gz GCQLLSXBPULLJO-VXGBXAGGSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573628209 947748235 /nfs/dbraw/zinc/74/82/35/947748235.db2.gz GJRJGNYZZFRRLF-WDEREUQCSA-N -1 1 380.403 1.020 20 0 GDADMM CC(=O)CCCC(=O)N(C)[C@H](C)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573366919 947750858 /nfs/dbraw/zinc/75/08/58/947750858.db2.gz VIHLHNQRCXYETL-MRVPVSSYSA-N -1 1 385.881 1.995 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1)c1cccs1 ZINC001573628312 947753499 /nfs/dbraw/zinc/75/34/99/947753499.db2.gz KOGXTBOWEZYUSM-NWDGAFQWSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1)c1cccs1 ZINC001573628312 947753508 /nfs/dbraw/zinc/75/35/08/947753508.db2.gz KOGXTBOWEZYUSM-NWDGAFQWSA-N -1 1 384.469 1.925 20 0 GDADMM C/C(=C/C(=O)N1CCC[C@@H]2[C@H]1CCN2c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001573367033 947753666 /nfs/dbraw/zinc/75/36/66/947753666.db2.gz ZQQSAHAEYBRZED-IWRDHYCXSA-N -1 1 380.456 1.583 20 0 GDADMM C/C(=C/C(=O)N1CCC[C@@H]2[C@H]1CCN2c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001573367033 947753674 /nfs/dbraw/zinc/75/36/74/947753674.db2.gz ZQQSAHAEYBRZED-IWRDHYCXSA-N -1 1 380.456 1.583 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]2[C@@H]1CCN2c1cnc(-c2nnn[n-]2)cn1)C(C)(F)F ZINC001573628665 947761026 /nfs/dbraw/zinc/76/10/26/947761026.db2.gz NECONYRIEUPCEM-WXHSDQCUSA-N -1 1 392.414 1.518 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]2[C@@H]1CCN2c1cnc(-c2nn[n-]n2)cn1)C(C)(F)F ZINC001573628665 947761033 /nfs/dbraw/zinc/76/10/33/947761033.db2.gz NECONYRIEUPCEM-WXHSDQCUSA-N -1 1 392.414 1.518 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@H](C)[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573367710 947763840 /nfs/dbraw/zinc/76/38/40/947763840.db2.gz GOXRNHHSZJGLMJ-GXTWGEPZSA-N -1 1 386.460 1.313 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@H](C)[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573367710 947763847 /nfs/dbraw/zinc/76/38/47/947763847.db2.gz GOXRNHHSZJGLMJ-GXTWGEPZSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](CN(C)c2nccnc2-c2nnn[n-]2)C1)C1CCC1 ZINC001573628834 947765514 /nfs/dbraw/zinc/76/55/14/947765514.db2.gz KNEQVSHDIZUAPX-ZIAGYGMSSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](CN(C)c2nccnc2-c2nn[n-]n2)C1)C1CCC1 ZINC001573628834 947765520 /nfs/dbraw/zinc/76/55/20/947765520.db2.gz KNEQVSHDIZUAPX-ZIAGYGMSSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](C(=O)N1CCC2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CC1)C1CC1 ZINC001573628801 947765702 /nfs/dbraw/zinc/76/57/02/947765702.db2.gz KGBUUVPACRFODA-ZDUSSCGKSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H](C(=O)N1CCC2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CC1)C1CC1 ZINC001573628801 947765707 /nfs/dbraw/zinc/76/57/07/947765707.db2.gz KGBUUVPACRFODA-ZDUSSCGKSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1)C1CCC1 ZINC001573629057 947771548 /nfs/dbraw/zinc/77/15/48/947771548.db2.gz QJXNRDUJUQKTMW-DZGCQCFKSA-N -1 1 384.488 1.910 20 0 GDADMM CC(=O)CCCC(=O)N(C)CCN(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573369212 947771871 /nfs/dbraw/zinc/77/18/71/947771871.db2.gz ROXJCMHZYAWUEM-UHFFFAOYSA-N -1 1 385.881 1.631 20 0 GDADMM CC(=O)CCCC(=O)N(C)CCN(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573369212 947771876 /nfs/dbraw/zinc/77/18/76/947771876.db2.gz ROXJCMHZYAWUEM-UHFFFAOYSA-N -1 1 385.881 1.631 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001573372838 947784705 /nfs/dbraw/zinc/78/47/05/947784705.db2.gz DNGIOPXZCUXTEB-TZMCWYRMSA-N -1 1 386.460 1.313 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001573372838 947784712 /nfs/dbraw/zinc/78/47/12/947784712.db2.gz DNGIOPXZCUXTEB-TZMCWYRMSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1)C1CCC1 ZINC001573637466 947815241 /nfs/dbraw/zinc/81/52/41/947815241.db2.gz DWDCSFHJIWFYMH-ZFWWWQNUSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1)C1CCC1 ZINC001573637466 947815246 /nfs/dbraw/zinc/81/52/46/947815246.db2.gz DWDCSFHJIWFYMH-ZFWWWQNUSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)c1ccco1 ZINC001573637573 947816799 /nfs/dbraw/zinc/81/67/99/947816799.db2.gz JGVKXRHVBRPYJK-OLZOCXBDSA-N -1 1 382.428 1.268 20 0 GDADMM C[C@@H](C(=O)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1)c1ccsc1 ZINC001573637985 947828092 /nfs/dbraw/zinc/82/80/92/947828092.db2.gz YAQXFTQTLHMIIP-GFCCVEGCSA-N -1 1 384.469 1.561 20 0 GDADMM C[C@@H](C(=O)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1)c1ccsc1 ZINC001573637985 947828097 /nfs/dbraw/zinc/82/80/97/947828097.db2.gz YAQXFTQTLHMIIP-GFCCVEGCSA-N -1 1 384.469 1.561 20 0 GDADMM Cc1onc(CC(=O)N2CCCN(c3ccc(C)cc3)CC2)c1-c1nnn[n-]1 ZINC000826290552 947845417 /nfs/dbraw/zinc/84/54/17/947845417.db2.gz QBTLMAGVMIVBDL-UHFFFAOYSA-N -1 1 381.440 1.753 20 0 GDADMM Cc1onc(CC(=O)N2CCCN(c3ccc(C)cc3)CC2)c1-c1nn[n-]n1 ZINC000826290552 947845427 /nfs/dbraw/zinc/84/54/27/947845427.db2.gz QBTLMAGVMIVBDL-UHFFFAOYSA-N -1 1 381.440 1.753 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(C)c(NS(C)(=O)=O)c2)c1-c1nnn[n-]1 ZINC000826291078 947847707 /nfs/dbraw/zinc/84/77/07/947847707.db2.gz NYHKYJRRAOXPDJ-UHFFFAOYSA-N -1 1 391.413 1.024 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(C)c(NS(C)(=O)=O)c2)c1-c1nn[n-]n1 ZINC000826291078 947847714 /nfs/dbraw/zinc/84/77/14/947847714.db2.gz NYHKYJRRAOXPDJ-UHFFFAOYSA-N -1 1 391.413 1.024 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1(C)C ZINC001573380556 947860787 /nfs/dbraw/zinc/86/07/87/947860787.db2.gz FQISDPWWQGTPKX-CQSZACIVSA-N -1 1 386.460 1.055 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1(C)C ZINC001573380556 947860796 /nfs/dbraw/zinc/86/07/96/947860796.db2.gz FQISDPWWQGTPKX-CQSZACIVSA-N -1 1 386.460 1.055 20 0 GDADMM CC(=O)CCCC(=O)NC[C@@]1(C)CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573381394 947874106 /nfs/dbraw/zinc/87/41/06/947874106.db2.gz UTLKLQMQXMGIKY-GOSISDBHSA-N -1 1 386.460 1.139 20 0 GDADMM CC(=O)CCCC(=O)NC[C@@]1(C)CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573381394 947874113 /nfs/dbraw/zinc/87/41/13/947874113.db2.gz UTLKLQMQXMGIKY-GOSISDBHSA-N -1 1 386.460 1.139 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H](C)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573383472 947892814 /nfs/dbraw/zinc/89/28/14/947892814.db2.gz SEKGIIREHGVODP-ZDUSSCGKSA-N -1 1 386.460 1.137 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H](C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573383472 947892818 /nfs/dbraw/zinc/89/28/18/947892818.db2.gz SEKGIIREHGVODP-ZDUSSCGKSA-N -1 1 386.460 1.137 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](C)[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573647437 947895099 /nfs/dbraw/zinc/89/50/99/947895099.db2.gz LABXWHKJGUYVTP-VNHYZAJKSA-N -1 1 384.488 1.411 20 0 GDADMM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1)c1cccs1 ZINC001573650761 947913914 /nfs/dbraw/zinc/91/39/14/947913914.db2.gz DVSYPZXLZBBWPO-SRVKXCTJSA-N -1 1 382.453 1.311 20 0 GDADMM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1)c1cccs1 ZINC001573650761 947913915 /nfs/dbraw/zinc/91/39/15/947913915.db2.gz DVSYPZXLZBBWPO-SRVKXCTJSA-N -1 1 382.453 1.311 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@]2(C)C1)C(C)(C)C ZINC001573651306 947918941 /nfs/dbraw/zinc/91/89/41/947918941.db2.gz LDMDAKKEYWFSNC-VPZZIHKRSA-N -1 1 384.488 1.624 20 0 GDADMM Cc1cn2c(n1)CN(C(=O)c1c(C)oc(-n3cccc3)c1-c1nnn[n-]1)CC2 ZINC000826316850 947923900 /nfs/dbraw/zinc/92/39/00/947923900.db2.gz BDOWOAZHOBPNJW-UHFFFAOYSA-N -1 1 378.396 1.720 20 0 GDADMM Cc1cn2c(n1)CN(C(=O)c1c(C)oc(-n3cccc3)c1-c1nn[n-]n1)CC2 ZINC000826316850 947923909 /nfs/dbraw/zinc/92/39/09/947923909.db2.gz BDOWOAZHOBPNJW-UHFFFAOYSA-N -1 1 378.396 1.720 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C(C)(C)C)C(F)(F)F ZINC001573652634 947944942 /nfs/dbraw/zinc/94/49/42/947944942.db2.gz FORFKHZNASNFNP-WCBMZHEXSA-N -1 1 386.382 1.798 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C(C)(C)C)C(F)(F)F ZINC001573652634 947944949 /nfs/dbraw/zinc/94/49/49/947944949.db2.gz FORFKHZNASNFNP-WCBMZHEXSA-N -1 1 386.382 1.798 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OCc1cncs1 ZINC000826328415 947957448 /nfs/dbraw/zinc/95/74/48/947957448.db2.gz QKZUAHWNGNHTDW-UHFFFAOYSA-N -1 1 384.425 1.659 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OCc1cncs1 ZINC000826328415 947957458 /nfs/dbraw/zinc/95/74/58/947957458.db2.gz QKZUAHWNGNHTDW-UHFFFAOYSA-N -1 1 384.425 1.659 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1cccs1 ZINC001573654285 947965780 /nfs/dbraw/zinc/96/57/80/947965780.db2.gz QLTRYQOZMPGFDZ-ZYHUDNBSSA-N -1 1 384.469 1.251 20 0 GDADMM Cc1occc1C(=O)NC1CCN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)CC1 ZINC000826342601 947983754 /nfs/dbraw/zinc/98/37/54/947983754.db2.gz RXVZBYRADVIOJD-UHFFFAOYSA-N -1 1 399.411 1.028 20 0 GDADMM Cc1occc1C(=O)NC1CCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)CC1 ZINC000826342601 947983759 /nfs/dbraw/zinc/98/37/59/947983759.db2.gz RXVZBYRADVIOJD-UHFFFAOYSA-N -1 1 399.411 1.028 20 0 GDADMM C[C@H](C(=O)NC1(CNc2ccc(-c3nnn[n-]3)nn2)CCCC1)C(C)(F)F ZINC001573656843 947994455 /nfs/dbraw/zinc/99/44/55/947994455.db2.gz IQJIAFGHZAGYOY-SNVBAGLBSA-N -1 1 380.403 1.789 20 0 GDADMM C[C@H](C(=O)NC1(CNc2ccc(-c3nn[n-]n3)nn2)CCCC1)C(C)(F)F ZINC001573656843 947994461 /nfs/dbraw/zinc/99/44/61/947994461.db2.gz IQJIAFGHZAGYOY-SNVBAGLBSA-N -1 1 380.403 1.789 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)c1-c1nnn[n-]1 ZINC000826344730 948014053 /nfs/dbraw/zinc/01/40/53/948014053.db2.gz QRMHJUAQPIXUKA-CYBMUJFWSA-N -1 1 382.380 1.798 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)c1-c1nn[n-]n1 ZINC000826344730 948014061 /nfs/dbraw/zinc/01/40/61/948014061.db2.gz QRMHJUAQPIXUKA-CYBMUJFWSA-N -1 1 382.380 1.798 20 0 GDADMM Cc1onc(CC(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)c1-c1nnn[n-]1 ZINC000826344801 948014963 /nfs/dbraw/zinc/01/49/63/948014963.db2.gz SETFLTRFOOEIMO-AWEZNQCLSA-N -1 1 388.815 1.959 20 0 GDADMM Cc1onc(CC(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)c1-c1nn[n-]n1 ZINC000826344801 948014969 /nfs/dbraw/zinc/01/49/69/948014969.db2.gz SETFLTRFOOEIMO-AWEZNQCLSA-N -1 1 388.815 1.959 20 0 GDADMM C[C@@H](C(=O)NC1(CNc2cncc(-c3nnn[n-]3)n2)CCCC1)[C@@H]1CCCO1 ZINC001573662412 948024160 /nfs/dbraw/zinc/02/41/60/948024160.db2.gz DHBCMYDMRBBCTM-OCCSQVGLSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](C(=O)NC1(CNc2cncc(-c3nn[n-]n3)n2)CCCC1)[C@@H]1CCCO1 ZINC001573662412 948024167 /nfs/dbraw/zinc/02/41/67/948024167.db2.gz DHBCMYDMRBBCTM-OCCSQVGLSA-N -1 1 386.460 1.313 20 0 GDADMM Cc1onc(CC(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccccc2)c1-c1nnn[n-]1 ZINC000826345657 948027376 /nfs/dbraw/zinc/02/73/76/948027376.db2.gz QMCWPSAYBRAKPQ-GOEBONIOSA-N -1 1 398.423 1.057 20 0 GDADMM Cc1onc(CC(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccccc2)c1-c1nn[n-]n1 ZINC000826345657 948027384 /nfs/dbraw/zinc/02/73/84/948027384.db2.gz QMCWPSAYBRAKPQ-GOEBONIOSA-N -1 1 398.423 1.057 20 0 GDADMM Cc1onc(CC(=O)N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)c1-c1nnn[n-]1 ZINC000826346379 948037622 /nfs/dbraw/zinc/03/76/22/948037622.db2.gz LCUSIWGAMAGILQ-LLVKDONJSA-N -1 1 384.444 1.331 20 0 GDADMM Cc1onc(CC(=O)N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)c1-c1nn[n-]n1 ZINC000826346379 948037629 /nfs/dbraw/zinc/03/76/29/948037629.db2.gz LCUSIWGAMAGILQ-LLVKDONJSA-N -1 1 384.444 1.331 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nn1)CC2)C(C)(F)F ZINC001573665014 948064859 /nfs/dbraw/zinc/06/48/59/948064859.db2.gz ZXAHPYHAGVNDSJ-CMPLNLGQSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nn1)CC2)C(C)(F)F ZINC001573665014 948064865 /nfs/dbraw/zinc/06/48/65/948064865.db2.gz ZXAHPYHAGVNDSJ-CMPLNLGQSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@H](C(=O)NC1CC(CNc2cnc(-c3nnn[n-]3)cn2)C1)c1ccsc1 ZINC001573664937 948065543 /nfs/dbraw/zinc/06/55/43/948065543.db2.gz ZBIPGINAVXFDOH-ZBOXLXRLSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NC1CC(CNc2cnc(-c3nn[n-]n3)cn2)C1)c1ccsc1 ZINC001573664937 948065553 /nfs/dbraw/zinc/06/55/53/948065553.db2.gz ZBIPGINAVXFDOH-ZBOXLXRLSA-N -1 1 384.469 1.829 20 0 GDADMM Cc1onc(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c1-c1nnn[n-]1 ZINC000826348879 948083201 /nfs/dbraw/zinc/08/32/01/948083201.db2.gz JRORYPLPTCJMMK-UHFFFAOYSA-N -1 1 387.425 1.956 20 0 GDADMM Cc1onc(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c1-c1nn[n-]n1 ZINC000826348879 948083212 /nfs/dbraw/zinc/08/32/12/948083212.db2.gz JRORYPLPTCJMMK-UHFFFAOYSA-N -1 1 387.425 1.956 20 0 GDADMM C[C@@H](C(=O)NC1CCC(Nc2nccnc2-c2nnn[n-]2)CC1)C(F)(F)F ZINC001573666250 948084554 /nfs/dbraw/zinc/08/45/54/948084554.db2.gz RNHKNNQHWMBJHA-IDKOKCKLSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](C(=O)NC1CCC(Nc2nccnc2-c2nn[n-]n2)CC1)C(F)(F)F ZINC001573666250 948084564 /nfs/dbraw/zinc/08/45/64/948084564.db2.gz RNHKNNQHWMBJHA-IDKOKCKLSA-N -1 1 384.366 1.694 20 0 GDADMM Cc1onc(CC(=O)Nc2cccc(N3CCCNC3=O)c2)c1-c1nnn[n-]1 ZINC000826349116 948089220 /nfs/dbraw/zinc/08/92/20/948089220.db2.gz USLQANZKWRYISU-UHFFFAOYSA-N -1 1 382.384 1.264 20 0 GDADMM Cc1onc(CC(=O)Nc2cccc(N3CCCNC3=O)c2)c1-c1nn[n-]n1 ZINC000826349116 948089227 /nfs/dbraw/zinc/08/92/27/948089227.db2.gz USLQANZKWRYISU-UHFFFAOYSA-N -1 1 382.384 1.264 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C(C)(F)F ZINC001573667135 948095441 /nfs/dbraw/zinc/09/54/41/948095441.db2.gz YCWBGNSEESSGFA-WDEREUQCSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C(C)(F)F ZINC001573667135 948095452 /nfs/dbraw/zinc/09/54/52/948095452.db2.gz YCWBGNSEESSGFA-WDEREUQCSA-N -1 1 380.403 1.423 20 0 GDADMM CC(=O)N(CCC(=O)NCc1ccc(-c2nn[n-]n2)s1)Cc1ccccc1 ZINC001573414688 948098246 /nfs/dbraw/zinc/09/82/46/948098246.db2.gz NRDLZYJYXRVOGO-UHFFFAOYSA-N -1 1 384.465 1.983 20 0 GDADMM C[C@@H](C(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)c1ccsc1 ZINC001573675413 948120630 /nfs/dbraw/zinc/12/06/30/948120630.db2.gz PWJPRSBBSLRXJI-LLVKDONJSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)c1ccsc1 ZINC001573675413 948120638 /nfs/dbraw/zinc/12/06/38/948120638.db2.gz PWJPRSBBSLRXJI-LLVKDONJSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cccc(F)c1 ZINC001573677210 948132940 /nfs/dbraw/zinc/13/29/40/948132940.db2.gz WSXJOXLSNNWFLH-RISCZKNCSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cccc(F)c1 ZINC001573677210 948132945 /nfs/dbraw/zinc/13/29/45/948132945.db2.gz WSXJOXLSNNWFLH-RISCZKNCSA-N -1 1 382.403 1.294 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C)n1cccc1 ZINC001573680257 948174773 /nfs/dbraw/zinc/17/47/73/948174773.db2.gz OYNQTPNCKXWRLU-TZMCWYRMSA-N -1 1 381.444 1.050 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C)n1cccc1 ZINC001573680257 948174777 /nfs/dbraw/zinc/17/47/77/948174777.db2.gz OYNQTPNCKXWRLU-TZMCWYRMSA-N -1 1 381.444 1.050 20 0 GDADMM CC(C)[C@@H](CNC(=O)[C@H](C)c1cccnc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001573680442 948180283 /nfs/dbraw/zinc/18/02/83/948180283.db2.gz NSSXSIMJUIUFDA-TZMCWYRMSA-N -1 1 381.444 1.408 20 0 GDADMM CC(C)[C@@H](CNC(=O)[C@H](C)c1cccnc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001573680442 948180292 /nfs/dbraw/zinc/18/02/92/948180292.db2.gz NSSXSIMJUIUFDA-TZMCWYRMSA-N -1 1 381.444 1.408 20 0 GDADMM C[C@@H](C(=O)NC[C@H](CO)Nc1nc(Cl)c(-c2nnn[n-]2)s1)C(C)(C)C ZINC001573680474 948180912 /nfs/dbraw/zinc/18/09/12/948180912.db2.gz NZGWUHFEYQQZTL-JGVFFNPUSA-N -1 1 387.897 1.548 20 0 GDADMM C[C@@H](C(=O)NC[C@H](CO)Nc1nc(Cl)c(-c2nn[n-]n2)s1)C(C)(C)C ZINC001573680474 948180918 /nfs/dbraw/zinc/18/09/18/948180918.db2.gz NZGWUHFEYQQZTL-JGVFFNPUSA-N -1 1 387.897 1.548 20 0 GDADMM C[C@@H](C(=O)NC[C@@H](Nc1nccnc1-c1nnn[n-]1)C1CC1)c1cccs1 ZINC001573680833 948190367 /nfs/dbraw/zinc/19/03/67/948190367.db2.gz QMCIYORDKHHXEL-ZYHUDNBSSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)NC[C@@H](Nc1nccnc1-c1nn[n-]n1)C1CC1)c1cccs1 ZINC001573680833 948190374 /nfs/dbraw/zinc/19/03/74/948190374.db2.gz QMCIYORDKHHXEL-ZYHUDNBSSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1)n1cccc1 ZINC001573702278 948344290 /nfs/dbraw/zinc/34/42/90/948344290.db2.gz DCCADCNXPYSPQV-ZIAGYGMSSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1)n1cccc1 ZINC001573702278 948344301 /nfs/dbraw/zinc/34/43/01/948344301.db2.gz DCCADCNXPYSPQV-ZIAGYGMSSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001573703765 948359534 /nfs/dbraw/zinc/35/95/34/948359534.db2.gz MLLYHUYYKYEFSD-ZIAGYGMSSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001573703765 948359542 /nfs/dbraw/zinc/35/95/42/948359542.db2.gz MLLYHUYYKYEFSD-ZIAGYGMSSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCCN1c1nccnc1-c1nnn[n-]1)c1ccco1 ZINC001573703889 948362261 /nfs/dbraw/zinc/36/22/61/948362261.db2.gz NOIOGFROUNJSTH-CHWSQXEVSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCCN1c1nccnc1-c1nn[n-]n1)c1ccco1 ZINC001573703889 948362269 /nfs/dbraw/zinc/36/22/69/948362269.db2.gz NOIOGFROUNJSTH-CHWSQXEVSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cccs1 ZINC001573708207 948445111 /nfs/dbraw/zinc/44/51/11/948445111.db2.gz SIRQHLMQXDVBGD-NWDGAFQWSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cccs1 ZINC001573708207 948445117 /nfs/dbraw/zinc/44/51/17/948445117.db2.gz SIRQHLMQXDVBGD-NWDGAFQWSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@@H](C(=O)NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)c1ccco1 ZINC001573708324 948448086 /nfs/dbraw/zinc/44/80/86/948448086.db2.gz UAZSDQLRIQVXHX-GFCCVEGCSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@@H](C(=O)NCC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccco1 ZINC001573715513 948490845 /nfs/dbraw/zinc/49/08/45/948490845.db2.gz XQWHXPFFUUSZND-OLZOCXBDSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@@H](C(=O)NCC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccco1 ZINC001573715513 948490850 /nfs/dbraw/zinc/49/08/50/948490850.db2.gz XQWHXPFFUUSZND-OLZOCXBDSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@H](C(=O)NCC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CCCC1 ZINC001573715472 948491664 /nfs/dbraw/zinc/49/16/64/948491664.db2.gz WQAJSVPCNAAYOH-UONOGXRCSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NCC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CCCC1 ZINC001573715472 948491668 /nfs/dbraw/zinc/49/16/68/948491668.db2.gz WQAJSVPCNAAYOH-UONOGXRCSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NCC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001573715520 948492096 /nfs/dbraw/zinc/49/20/96/948492096.db2.gz YBCZVWLDCTWHCQ-KBPBESRZSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](C(=O)NCC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001573715520 948492099 /nfs/dbraw/zinc/49/20/99/948492099.db2.gz YBCZVWLDCTWHCQ-KBPBESRZSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C)C1CCCC1 ZINC001573728956 948563410 /nfs/dbraw/zinc/56/34/10/948563410.db2.gz RMPQQCMXNUIGOP-VNHYZAJKSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C)C1CCCC1 ZINC001573728956 948563417 /nfs/dbraw/zinc/56/34/17/948563417.db2.gz RMPQQCMXNUIGOP-VNHYZAJKSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573731774 948595176 /nfs/dbraw/zinc/59/51/76/948595176.db2.gz YTIMBGZKIIQAHQ-IJLUTSLNSA-N -1 1 384.469 1.251 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H](C)c1ccc(F)c(F)c1 ZINC001573732540 948604224 /nfs/dbraw/zinc/60/42/24/948604224.db2.gz QROPJUVDBPZLEM-UWVGGRQHSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H](C)c1ccc(F)c(F)c1 ZINC001573732540 948604229 /nfs/dbraw/zinc/60/42/29/948604229.db2.gz QROPJUVDBPZLEM-UWVGGRQHSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nnn[n-]1)C(F)(F)F ZINC001573736304 948614572 /nfs/dbraw/zinc/61/45/72/948614572.db2.gz PSJMCWITBKMGLG-OPRDCNLKSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nn[n-]n1)C(F)(F)F ZINC001573736304 948614575 /nfs/dbraw/zinc/61/45/75/948614575.db2.gz PSJMCWITBKMGLG-OPRDCNLKSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CC1)C(C)(F)F ZINC001573745655 948674431 /nfs/dbraw/zinc/67/44/31/948674431.db2.gz GHPALBOBYLYKLR-DCAQKATOSA-N -1 1 380.403 1.209 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)CC1)C(F)(F)F ZINC001573747448 948691129 /nfs/dbraw/zinc/69/11/29/948691129.db2.gz UZEKKKJHMUTXOA-GUBZILKMSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)CC1)C(F)(F)F ZINC001573747448 948691132 /nfs/dbraw/zinc/69/11/32/948691132.db2.gz UZEKKKJHMUTXOA-GUBZILKMSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573751828 948705447 /nfs/dbraw/zinc/70/54/47/948705447.db2.gz DYMWTABYRKFFHJ-UYHMYPTGSA-N -1 1 382.472 1.709 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573751828 948705454 /nfs/dbraw/zinc/70/54/54/948705454.db2.gz DYMWTABYRKFFHJ-UYHMYPTGSA-N -1 1 382.472 1.709 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@@H](C)[C@H](C)Nc2nccnc2-c2nnn[n-]2)cn1 ZINC001574416358 948746196 /nfs/dbraw/zinc/74/61/96/948746196.db2.gz RWGOYGOZPOYTQJ-RYUDHWBXSA-N -1 1 381.444 1.794 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@@H](C)[C@H](C)Nc2nccnc2-c2nn[n-]n2)cn1 ZINC001574416358 948746204 /nfs/dbraw/zinc/74/62/04/948746204.db2.gz RWGOYGOZPOYTQJ-RYUDHWBXSA-N -1 1 381.444 1.794 20 0 GDADMM CC(C)c1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nnn[n-]2)nc1 ZINC001574416501 948750135 /nfs/dbraw/zinc/75/01/35/948750135.db2.gz VQNICYNNJUSGPH-KBPBESRZSA-N -1 1 391.439 1.278 20 0 GDADMM CC(C)c1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nn[n-]n2)nc1 ZINC001574416501 948750148 /nfs/dbraw/zinc/75/01/48/948750148.db2.gz VQNICYNNJUSGPH-KBPBESRZSA-N -1 1 391.439 1.278 20 0 GDADMM CC(C)c1ccc(C(=O)N(C)[C@@H](C)CNc2ccnc(-c3nn[n-]n3)n2)cn1 ZINC001574416476 948750623 /nfs/dbraw/zinc/75/06/23/948750623.db2.gz VBKUGFOGTLAVBG-LBPRGKRZSA-N -1 1 381.444 1.170 20 0 GDADMM C[C@H](CNC(=O)CCc1cccc(Cl)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574914642 948753879 /nfs/dbraw/zinc/75/38/79/948753879.db2.gz LRVXXJFQRNGSGF-LLVKDONJSA-N -1 1 386.847 1.860 20 0 GDADMM C[C@H](CNC(=O)CCc1cccc(Cl)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574914642 948753888 /nfs/dbraw/zinc/75/38/88/948753888.db2.gz LRVXXJFQRNGSGF-LLVKDONJSA-N -1 1 386.847 1.860 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001574416747 948760348 /nfs/dbraw/zinc/76/03/48/948760348.db2.gz GAEHWNLDQNHYSN-OAHLLOKOSA-N -1 1 378.440 1.789 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001574416747 948760358 /nfs/dbraw/zinc/76/03/58/948760358.db2.gz GAEHWNLDQNHYSN-OAHLLOKOSA-N -1 1 378.440 1.789 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)Cc1cccc(Cl)c1 ZINC001574678827 948760468 /nfs/dbraw/zinc/76/04/68/948760468.db2.gz JTDXXZOSFJEKGJ-NSHDSACASA-N -1 1 386.847 1.860 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)Cc1cccc(Cl)c1 ZINC001574678827 948760475 /nfs/dbraw/zinc/76/04/75/948760475.db2.gz JTDXXZOSFJEKGJ-NSHDSACASA-N -1 1 386.847 1.860 20 0 GDADMM CC(C)c1ncncc1C(=O)N[C@@H](C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001574678952 948762788 /nfs/dbraw/zinc/76/27/88/948762788.db2.gz LBCYSFDPCASOQZ-NSHDSACASA-N -1 1 382.432 1.191 20 0 GDADMM CC(C)c1ncncc1C(=O)N[C@@H](C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001574678952 948762795 /nfs/dbraw/zinc/76/27/95/948762795.db2.gz LBCYSFDPCASOQZ-NSHDSACASA-N -1 1 382.432 1.191 20 0 GDADMM CC(C)c1cccc(C(=O)N(C)CCN(C)c2cncc(-c3nnn[n-]3)n2)n1 ZINC001574417525 948773892 /nfs/dbraw/zinc/77/38/92/948773892.db2.gz QYRQOKRYWXFMMX-UHFFFAOYSA-N -1 1 381.444 1.384 20 0 GDADMM CC(C)c1cccc(C(=O)N(C)CCN(C)c2cncc(-c3nn[n-]n3)n2)n1 ZINC001574417525 948773900 /nfs/dbraw/zinc/77/39/00/948773900.db2.gz QYRQOKRYWXFMMX-UHFFFAOYSA-N -1 1 381.444 1.384 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575223938 948774313 /nfs/dbraw/zinc/77/43/13/948774313.db2.gz PWXGZCOKHUFUHN-MNOVXSKESA-N -1 1 392.414 1.789 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575223938 948774324 /nfs/dbraw/zinc/77/43/24/948774324.db2.gz PWXGZCOKHUFUHN-MNOVXSKESA-N -1 1 392.414 1.789 20 0 GDADMM C[C@@H](C(=O)N[C@@H](C)CCNc1cncc(-c2nnn[n-]2)n1)c1cccc(F)c1 ZINC001574679405 948780783 /nfs/dbraw/zinc/78/07/83/948780783.db2.gz UUOYLYKUECNOFP-NWDGAFQWSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@@H](C(=O)N[C@@H](C)CCNc1cncc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001574679405 948780793 /nfs/dbraw/zinc/78/07/93/948780793.db2.gz UUOYLYKUECNOFP-NWDGAFQWSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@@H](C(=O)N[C@@H](C)CCNc1cncc(-c2nnn[n-]2)n1)c1ccccc1F ZINC001574679615 948787753 /nfs/dbraw/zinc/78/77/53/948787753.db2.gz YTIFRKLUOGNONO-NWDGAFQWSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@@H](C(=O)N[C@@H](C)CCNc1cncc(-c2nn[n-]n2)n1)c1ccccc1F ZINC001574679615 948787769 /nfs/dbraw/zinc/78/77/69/948787769.db2.gz YTIFRKLUOGNONO-NWDGAFQWSA-N -1 1 384.419 1.906 20 0 GDADMM CC(C)[C@H](F)C(=O)N[C@H](C)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574080295 948791112 /nfs/dbraw/zinc/79/11/12/948791112.db2.gz OHNNDBXBIZEVJI-ABAIWWIYSA-N -1 1 376.440 1.372 20 0 GDADMM CC(C)[C@H](F)C(=O)N[C@H](C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574080295 948791127 /nfs/dbraw/zinc/79/11/27/948791127.db2.gz OHNNDBXBIZEVJI-ABAIWWIYSA-N -1 1 376.440 1.372 20 0 GDADMM C[C@@H](CNC(=O)CCc1ccncc1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574916868 948795783 /nfs/dbraw/zinc/79/57/83/948795783.db2.gz LNWPZJHWRSCRQZ-VIFPVBQESA-N -1 1 392.876 1.921 20 0 GDADMM C[C@@H](CNC(=O)CCc1ccncc1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574916868 948795793 /nfs/dbraw/zinc/79/57/93/948795793.db2.gz LNWPZJHWRSCRQZ-VIFPVBQESA-N -1 1 392.876 1.921 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)c1 ZINC001574420594 948802546 /nfs/dbraw/zinc/80/25/46/948802546.db2.gz ZMPSCSHWPMYWOV-HWWDLCQESA-N -1 1 390.451 1.645 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)c1 ZINC001574420594 948802561 /nfs/dbraw/zinc/80/25/61/948802561.db2.gz ZMPSCSHWPMYWOV-HWWDLCQESA-N -1 1 390.451 1.645 20 0 GDADMM CC(F)(F)CC(=O)NC1(C2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)CC1 ZINC001575225212 948803150 /nfs/dbraw/zinc/80/31/50/948803150.db2.gz XTDXZVALHHSDNT-UHFFFAOYSA-N -1 1 392.414 1.567 20 0 GDADMM CC(F)(F)CC(=O)NC1(C2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)CC1 ZINC001575225212 948803165 /nfs/dbraw/zinc/80/31/65/948803165.db2.gz XTDXZVALHHSDNT-UHFFFAOYSA-N -1 1 392.414 1.567 20 0 GDADMM CC(C)c1ccoc1C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1 ZINC001574420887 948810181 /nfs/dbraw/zinc/81/01/81/948810181.db2.gz CYMHZXIZOJIAKR-RYUDHWBXSA-N -1 1 380.412 1.476 20 0 GDADMM CC(C)c1ccoc1C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1 ZINC001574420887 948810199 /nfs/dbraw/zinc/81/01/99/948810199.db2.gz CYMHZXIZOJIAKR-RYUDHWBXSA-N -1 1 380.412 1.476 20 0 GDADMM CC(C)c1ccoc1C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574421125 948813491 /nfs/dbraw/zinc/81/34/91/948813491.db2.gz HEMGLUAMBYZCIA-GFCCVEGCSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1ccoc1C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574421125 948813510 /nfs/dbraw/zinc/81/35/10/948813510.db2.gz HEMGLUAMBYZCIA-GFCCVEGCSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1ccoc1C(=O)NCC1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574421321 948814991 /nfs/dbraw/zinc/81/49/91/948814991.db2.gz JBKGTJJCCNESRC-UHFFFAOYSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1ccoc1C(=O)NCC1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574421321 948815010 /nfs/dbraw/zinc/81/50/10/948815010.db2.gz JBKGTJJCCNESRC-UHFFFAOYSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1ccoc1C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574421104 948815996 /nfs/dbraw/zinc/81/59/96/948815996.db2.gz GWTZFWXXMXGZCB-GFCCVEGCSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1ccoc1C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574421104 948816018 /nfs/dbraw/zinc/81/60/18/948816018.db2.gz GWTZFWXXMXGZCB-GFCCVEGCSA-N -1 1 382.428 1.772 20 0 GDADMM C[C@@H](C(=O)N[C@]12CCC[C@H]1CN(c1ccc(-c3nnn[n-]3)nn1)C2)C(C)(F)F ZINC001573756487 948818757 /nfs/dbraw/zinc/81/87/57/948818757.db2.gz SOTXBMFZHLISRN-DINDLPBHSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@@H](C(=O)N[C@]12CCC[C@H]1CN(c1ccc(-c3nn[n-]n3)nn1)C2)C(C)(F)F ZINC001573756487 948818775 /nfs/dbraw/zinc/81/87/75/948818775.db2.gz SOTXBMFZHLISRN-DINDLPBHSA-N -1 1 392.414 1.423 20 0 GDADMM CC(F)(F)CC(=O)N1CCCC[C@@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001575227087 948824495 /nfs/dbraw/zinc/82/44/95/948824495.db2.gz ROIGERFCRNCDIB-LLVKDONJSA-N -1 1 380.403 1.885 20 0 GDADMM CC(F)(F)CC(=O)N1CCCC[C@@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001575227087 948824513 /nfs/dbraw/zinc/82/45/13/948824513.db2.gz ROIGERFCRNCDIB-LLVKDONJSA-N -1 1 380.403 1.885 20 0 GDADMM CC(F)(F)CC(=O)N1CCC2(C1)CCN(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001575227619 948829054 /nfs/dbraw/zinc/82/90/54/948829054.db2.gz WIJQRJOOSUONAG-UHFFFAOYSA-N -1 1 392.414 1.521 20 0 GDADMM CC(F)(F)CC(=O)N1CCC2(C1)CCN(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001575227619 948829060 /nfs/dbraw/zinc/82/90/60/948829060.db2.gz WIJQRJOOSUONAG-UHFFFAOYSA-N -1 1 392.414 1.521 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CC[C@H](Nc3nccnc3-c3nnn[n-]3)CC2)CC1 ZINC001575227742 948834068 /nfs/dbraw/zinc/83/40/68/948834068.db2.gz ZGRRACSAZBHREK-XYPYZODXSA-N -1 1 392.414 1.931 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CC[C@H](Nc3nccnc3-c3nn[n-]n3)CC2)CC1 ZINC001575227742 948834086 /nfs/dbraw/zinc/83/40/86/948834086.db2.gz ZGRRACSAZBHREK-XYPYZODXSA-N -1 1 392.414 1.931 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001575227802 948834480 /nfs/dbraw/zinc/83/44/80/948834480.db2.gz ZMYUSHHQPJJTKL-MNOVXSKESA-N -1 1 378.387 1.272 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001575227802 948834498 /nfs/dbraw/zinc/83/44/98/948834498.db2.gz ZMYUSHHQPJJTKL-MNOVXSKESA-N -1 1 378.387 1.272 20 0 GDADMM C[C@H](CNC(=O)CCCc1ccc(F)cc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574918146 948836533 /nfs/dbraw/zinc/83/65/33/948836533.db2.gz GJHRGGXYEDYWNI-GFCCVEGCSA-N -1 1 384.419 1.157 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccn(C(C)(C)C)n1 ZINC001574683229 948846971 /nfs/dbraw/zinc/84/69/71/948846971.db2.gz WGJCHIKHNMFXEJ-LLVKDONJSA-N -1 1 384.448 1.229 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccn(C(C)(C)C)n1 ZINC001574683229 948846988 /nfs/dbraw/zinc/84/69/88/948846988.db2.gz WGJCHIKHNMFXEJ-LLVKDONJSA-N -1 1 384.448 1.229 20 0 GDADMM CC(C)(C(=O)N1CC[C@@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1)C1CC1 ZINC001573763153 948863421 /nfs/dbraw/zinc/86/34/21/948863421.db2.gz CAVPVDWCOBSHGY-LJQANCHMSA-N -1 1 382.472 1.522 20 0 GDADMM CC(C)(C(=O)N1CC[C@@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1)C1CC1 ZINC001573763153 948863442 /nfs/dbraw/zinc/86/34/42/948863442.db2.gz CAVPVDWCOBSHGY-LJQANCHMSA-N -1 1 382.472 1.522 20 0 GDADMM CC(C)c1nc(C(=O)N[C@H](C)[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)cs1 ZINC001574424929 948865017 /nfs/dbraw/zinc/86/50/17/948865017.db2.gz XGJMGMNJXNWGML-VHSXEESVSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1nc(C(=O)N[C@H](C)[C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)cs1 ZINC001574424929 948865025 /nfs/dbraw/zinc/86/50/25/948865025.db2.gz XGJMGMNJXNWGML-VHSXEESVSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C1CCOCC1 ZINC001573763408 948868823 /nfs/dbraw/zinc/86/88/23/948868823.db2.gz DSAGWVDKQPWNKW-CYBMUJFWSA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C1CCOCC1 ZINC001573763408 948868843 /nfs/dbraw/zinc/86/88/43/948868843.db2.gz DSAGWVDKQPWNKW-CYBMUJFWSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@H]1CC1(F)F ZINC001574684550 948872249 /nfs/dbraw/zinc/87/22/49/948872249.db2.gz ICEQYJOAZUIZRS-PHDIDXHHSA-N -1 1 377.808 1.939 20 0 GDADMM CC(C)[C@]1(C)C[C@H]1C(=O)N(C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574082987 948873940 /nfs/dbraw/zinc/87/39/40/948873940.db2.gz MVHFNLMPANQXMP-LIRRHRJNSA-N -1 1 384.488 1.766 20 0 GDADMM CC(C)[C@]1(C)C[C@H]1C(=O)N(C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574082987 948873955 /nfs/dbraw/zinc/87/39/55/948873955.db2.gz MVHFNLMPANQXMP-LIRRHRJNSA-N -1 1 384.488 1.766 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CC[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001575232541 948876596 /nfs/dbraw/zinc/87/65/96/948876596.db2.gz FALRGYUXGLEIBG-IJLUTSLNSA-N -1 1 392.414 1.423 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CC[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001575232541 948876616 /nfs/dbraw/zinc/87/66/16/948876616.db2.gz FALRGYUXGLEIBG-IJLUTSLNSA-N -1 1 392.414 1.423 20 0 GDADMM CC(C)(C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)C(F)F ZINC001573764629 948889926 /nfs/dbraw/zinc/88/99/26/948889926.db2.gz PFNLVNGHWPZRFM-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)(C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)C(F)F ZINC001573764629 948889944 /nfs/dbraw/zinc/88/99/44/948889944.db2.gz PFNLVNGHWPZRFM-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)(C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573764916 948895292 /nfs/dbraw/zinc/89/52/92/948895292.db2.gz RMZKSMUCBKQHAN-CABCVRRESA-N -1 1 382.472 1.663 20 0 GDADMM CC(C)(C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573764916 948895309 /nfs/dbraw/zinc/89/53/09/948895309.db2.gz RMZKSMUCBKQHAN-CABCVRRESA-N -1 1 382.472 1.663 20 0 GDADMM CC(C)c1ncc(C(=O)NC[C@H](C)N(C)c2cncc(-c3nnn[n-]3)n2)s1 ZINC001574427216 948899391 /nfs/dbraw/zinc/89/93/91/948899391.db2.gz BQHHLLGHKGLOQF-JTQLQIEISA-N -1 1 387.473 1.491 20 0 GDADMM CC(C)c1ncc(C(=O)NC[C@H](C)N(C)c2cncc(-c3nn[n-]n3)n2)s1 ZINC001574427216 948899411 /nfs/dbraw/zinc/89/94/11/948899411.db2.gz BQHHLLGHKGLOQF-JTQLQIEISA-N -1 1 387.473 1.491 20 0 GDADMM CC(F)(F)CCC(=O)NC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575234800 948906719 /nfs/dbraw/zinc/90/67/19/948906719.db2.gz FXJRCMDKBSRPAV-UHFFFAOYSA-N -1 1 380.403 1.567 20 0 GDADMM CC(F)(F)CCC(=O)NC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575234800 948906732 /nfs/dbraw/zinc/90/67/32/948906732.db2.gz FXJRCMDKBSRPAV-UHFFFAOYSA-N -1 1 380.403 1.567 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)Cc1cccnc1 ZINC001574685498 948910760 /nfs/dbraw/zinc/91/07/60/948910760.db2.gz XKFVPORCDNWNFU-VIFPVBQESA-N -1 1 392.876 1.921 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)Cc1cccnc1 ZINC001574685498 948910772 /nfs/dbraw/zinc/91/07/72/948910772.db2.gz XKFVPORCDNWNFU-VIFPVBQESA-N -1 1 392.876 1.921 20 0 GDADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)C[C@H]1CCCO1 ZINC001574685661 948914004 /nfs/dbraw/zinc/91/40/04/948914004.db2.gz YOMOGAWZUDFUNB-RKDXNWHRSA-N -1 1 385.881 1.852 20 0 GDADMM CC(C)c1ncc(C(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)s1 ZINC001574427965 948917465 /nfs/dbraw/zinc/91/74/65/948917465.db2.gz VZAGNEHGTVBJRO-JTQLQIEISA-N -1 1 385.457 1.563 20 0 GDADMM CC(C)c1ncc(C(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)s1 ZINC001574427965 948917471 /nfs/dbraw/zinc/91/74/71/948917471.db2.gz VZAGNEHGTVBJRO-JTQLQIEISA-N -1 1 385.457 1.563 20 0 GDADMM CC(C)(C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573765709 948919466 /nfs/dbraw/zinc/91/94/66/948919466.db2.gz ZJGBDHYQUJMQQD-CQSZACIVSA-N -1 1 384.488 1.698 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001575235498 948920526 /nfs/dbraw/zinc/92/05/26/948920526.db2.gz MZKSIXUUAVXQOC-KRWDZBQOSA-N -1 1 392.414 1.521 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001575235498 948920540 /nfs/dbraw/zinc/92/05/40/948920540.db2.gz MZKSIXUUAVXQOC-KRWDZBQOSA-N -1 1 392.414 1.521 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1)C1CCC1 ZINC001573765856 948928157 /nfs/dbraw/zinc/92/81/57/948928157.db2.gz NXOPQTDTMRSLOJ-BETUJISGSA-N -1 1 382.472 1.378 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1)C1CCC1 ZINC001573765856 948928169 /nfs/dbraw/zinc/92/81/69/948928169.db2.gz NXOPQTDTMRSLOJ-BETUJISGSA-N -1 1 382.472 1.378 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C(F)F ZINC001573771084 948933723 /nfs/dbraw/zinc/93/37/23/948933723.db2.gz BMNFOWBGYNKETQ-JTQLQIEISA-N -1 1 380.403 1.423 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C(F)F ZINC001573771084 948933727 /nfs/dbraw/zinc/93/37/27/948933727.db2.gz BMNFOWBGYNKETQ-JTQLQIEISA-N -1 1 380.403 1.423 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N(C)[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574432734 948940421 /nfs/dbraw/zinc/94/04/21/948940421.db2.gz CLCOGESIGZPVQU-LLVKDONJSA-N -1 1 384.448 1.086 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N(C)[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574432734 948940428 /nfs/dbraw/zinc/94/04/28/948940428.db2.gz CLCOGESIGZPVQU-LLVKDONJSA-N -1 1 384.448 1.086 20 0 GDADMM CC(C)c1ncsc1C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574432712 948940441 /nfs/dbraw/zinc/94/04/41/948940441.db2.gz BGTYNKGOBHRTPN-UHFFFAOYSA-N -1 1 385.457 1.611 20 0 GDADMM CC(C)c1ncsc1C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574432712 948940449 /nfs/dbraw/zinc/94/04/49/948940449.db2.gz BGTYNKGOBHRTPN-UHFFFAOYSA-N -1 1 385.457 1.611 20 0 GDADMM CC(C)(C(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)c1ccccc1 ZINC001573771634 948943736 /nfs/dbraw/zinc/94/37/36/948943736.db2.gz JRUAICJSXQWUEF-HNNXBMFYSA-N -1 1 392.467 1.941 20 0 GDADMM CC(C)(C(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)c1ccccc1 ZINC001573771634 948943743 /nfs/dbraw/zinc/94/37/43/948943743.db2.gz JRUAICJSXQWUEF-HNNXBMFYSA-N -1 1 392.467 1.941 20 0 GDADMM CC(C)c1ncncc1C(=O)N[C@H](C)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574432915 948943901 /nfs/dbraw/zinc/94/39/01/948943901.db2.gz PDEVBUBXKXKMFD-WDEREUQCSA-N -1 1 382.432 1.189 20 0 GDADMM CC(C)c1ncncc1C(=O)N[C@H](C)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574432915 948943909 /nfs/dbraw/zinc/94/39/09/948943909.db2.gz PDEVBUBXKXKMFD-WDEREUQCSA-N -1 1 382.432 1.189 20 0 GDADMM CC(C)c1ncsc1C(=O)N(C)[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574432965 948946509 /nfs/dbraw/zinc/94/65/09/948946509.db2.gz QRGDMWSOZXGDOB-SNVBAGLBSA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)c1ncsc1C(=O)N(C)[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574432965 948946514 /nfs/dbraw/zinc/94/65/14/948946514.db2.gz QRGDMWSOZXGDOB-SNVBAGLBSA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C(F)F ZINC001573772240 948954159 /nfs/dbraw/zinc/95/41/59/948954159.db2.gz RPEICHBYKBFNJA-VHSXEESVSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C(F)F ZINC001573772240 948954170 /nfs/dbraw/zinc/95/41/70/948954170.db2.gz RPEICHBYKBFNJA-VHSXEESVSA-N -1 1 380.403 1.645 20 0 GDADMM CC(F)(F)CCC(=O)NCCC1(CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001575238939 948957362 /nfs/dbraw/zinc/95/73/62/948957362.db2.gz OBZBSYNYJDNHTH-UHFFFAOYSA-N -1 1 380.403 1.791 20 0 GDADMM CC(F)(F)CCC(=O)NCCC1(CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001575238939 948957367 /nfs/dbraw/zinc/95/73/67/948957367.db2.gz OBZBSYNYJDNHTH-UHFFFAOYSA-N -1 1 380.403 1.791 20 0 GDADMM CC(F)(F)CCC(=O)N[C@]12CCC[C@H]1CN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001575241073 948971911 /nfs/dbraw/zinc/97/19/11/948971911.db2.gz ASFFUOJHCXKSEM-GTNSWQLSSA-N -1 1 392.414 1.567 20 0 GDADMM CC(F)(F)CCC(=O)N[C@]12CCC[C@H]1CN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001575241073 948971919 /nfs/dbraw/zinc/97/19/19/948971919.db2.gz ASFFUOJHCXKSEM-GTNSWQLSSA-N -1 1 392.414 1.567 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H](C)c1cccc(F)c1 ZINC001574689362 948985502 /nfs/dbraw/zinc/98/55/02/948985502.db2.gz GNSUMTHUFWFAAI-VXGBXAGGSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H](C)c1cccc(F)c1 ZINC001574689362 948985519 /nfs/dbraw/zinc/98/55/19/948985519.db2.gz GNSUMTHUFWFAAI-VXGBXAGGSA-N -1 1 384.419 1.906 20 0 GDADMM CC(C)(C(=O)NC[C@@H](O)CNc1snc(Cl)c1-c1nnn[n-]1)C1CC1 ZINC001573774255 949005835 /nfs/dbraw/zinc/00/58/35/949005835.db2.gz KKXYOQBNUWXIJI-QMMMGPOBSA-N -1 1 385.881 1.302 20 0 GDADMM CC(C)(C(=O)NC[C@@H](O)CNc1snc(Cl)c1-c1nn[n-]n1)C1CC1 ZINC001573774255 949005850 /nfs/dbraw/zinc/00/58/50/949005850.db2.gz KKXYOQBNUWXIJI-QMMMGPOBSA-N -1 1 385.881 1.302 20 0 GDADMM CC(C)c1nnsc1C(=O)N[C@H](C)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574439815 949011632 /nfs/dbraw/zinc/01/16/32/949011632.db2.gz JBOVZNPPAOXRGI-DTWKUNHWSA-N -1 1 388.461 1.251 20 0 GDADMM CC(C)c1nnsc1C(=O)N[C@H](C)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574439815 949011663 /nfs/dbraw/zinc/01/16/63/949011663.db2.gz JBOVZNPPAOXRGI-DTWKUNHWSA-N -1 1 388.461 1.251 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001574441104 949052029 /nfs/dbraw/zinc/05/20/29/949052029.db2.gz BLXBCSICMCVVHT-GFCCVEGCSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001574441104 949052048 /nfs/dbraw/zinc/05/20/48/949052048.db2.gz BLXBCSICMCVVHT-GFCCVEGCSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)C1CCCC1 ZINC001573779261 949058782 /nfs/dbraw/zinc/05/87/82/949058782.db2.gz FMXOBGDZKARXLF-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)C1CCCC1 ZINC001573779261 949058800 /nfs/dbraw/zinc/05/88/00/949058800.db2.gz FMXOBGDZKARXLF-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)c1n[nH]cc1F ZINC001574693776 949059550 /nfs/dbraw/zinc/05/95/50/949059550.db2.gz JAWMLNYMWNBBDH-YFKPBYRVSA-N -1 1 385.816 1.459 20 0 GDADMM CC(C)c1nocc1C(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574441865 949081425 /nfs/dbraw/zinc/08/14/25/949081425.db2.gz DCQCVMSLJLQTOH-UHFFFAOYSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1nocc1C(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001574441925 949082045 /nfs/dbraw/zinc/08/20/45/949082045.db2.gz FMVUYBPEFWFVNK-UHFFFAOYSA-N -1 1 387.469 1.996 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)c1cnccn1 ZINC001574694599 949084082 /nfs/dbraw/zinc/08/40/82/949084082.db2.gz SHDCQOBDVIUFPN-ZETCQYMHSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)c1cnccn1 ZINC001574694599 949084100 /nfs/dbraw/zinc/08/41/00/949084100.db2.gz SHDCQOBDVIUFPN-ZETCQYMHSA-N -1 1 379.837 1.387 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)NC1CC2(C1)CC(Nc1ccnc(-c3nn[n-]n3)n1)C2 ZINC001574092885 949085578 /nfs/dbraw/zinc/08/55/78/949085578.db2.gz UWKIZJNDYPIHFJ-SBDXJAJFSA-N -1 1 382.472 1.210 20 0 GDADMM C[C@@H](CNC(=O)COCC(F)F)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574929250 949086306 /nfs/dbraw/zinc/08/63/06/949086306.db2.gz BMONFAVQRPJLRW-YFKPBYRVSA-N -1 1 381.796 1.175 20 0 GDADMM C[C@@H](CNC(=O)COCC(F)F)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574929250 949086287 /nfs/dbraw/zinc/08/62/87/949086287.db2.gz BMONFAVQRPJLRW-YFKPBYRVSA-N -1 1 381.796 1.175 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001574442015 949088001 /nfs/dbraw/zinc/08/80/01/949088001.db2.gz JDUHNZJHAAXMLL-LBPRGKRZSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001574442015 949088020 /nfs/dbraw/zinc/08/80/20/949088020.db2.gz JDUHNZJHAAXMLL-LBPRGKRZSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1nocc1C(=O)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574442692 949099567 /nfs/dbraw/zinc/09/95/67/949099567.db2.gz QRHUPVOBGKRLSM-LLVKDONJSA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1nocc1C(=O)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574442692 949099587 /nfs/dbraw/zinc/09/95/87/949099587.db2.gz QRHUPVOBGKRLSM-LLVKDONJSA-N -1 1 383.416 1.485 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)[C@@H]1CCCOC1 ZINC001574695203 949103762 /nfs/dbraw/zinc/10/37/62/949103762.db2.gz DYEVCOOLAZQJLE-RKDXNWHRSA-N -1 1 385.881 1.710 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@@H]1CCCOC1 ZINC001574695203 949103772 /nfs/dbraw/zinc/10/37/72/949103772.db2.gz DYEVCOOLAZQJLE-RKDXNWHRSA-N -1 1 385.881 1.710 20 0 GDADMM CC(C)(C(=O)NCCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C1CC1 ZINC001573782064 949114497 /nfs/dbraw/zinc/11/44/97/949114497.db2.gz PODCCTYOVDYQTR-UHFFFAOYSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C(=O)NCCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C1CC1 ZINC001573782064 949114517 /nfs/dbraw/zinc/11/45/17/949114517.db2.gz PODCCTYOVDYQTR-UHFFFAOYSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)c1occc1C(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574446239 949125068 /nfs/dbraw/zinc/12/50/68/949125068.db2.gz KSWJIFONHIXJDC-UHFFFAOYSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1occc1C(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574446239 949125080 /nfs/dbraw/zinc/12/50/80/949125080.db2.gz KSWJIFONHIXJDC-UHFFFAOYSA-N -1 1 382.428 1.994 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1nccc2occc21 ZINC001574696400 949127311 /nfs/dbraw/zinc/12/73/11/949127311.db2.gz POAXXIJDXIEVCJ-JTQLQIEISA-N -1 1 379.384 1.418 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1nccc2occc21 ZINC001574696400 949127325 /nfs/dbraw/zinc/12/73/25/949127325.db2.gz POAXXIJDXIEVCJ-JTQLQIEISA-N -1 1 379.384 1.418 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1coc(C2CCC2)n1 ZINC001574696442 949133713 /nfs/dbraw/zinc/13/37/13/949133713.db2.gz QRBOEPQETZHBNE-JTQLQIEISA-N -1 1 383.416 1.533 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1coc(C2CCC2)n1 ZINC001574696442 949133736 /nfs/dbraw/zinc/13/37/36/949133736.db2.gz QRBOEPQETZHBNE-JTQLQIEISA-N -1 1 383.416 1.533 20 0 GDADMM CC(C)c1occc1C(=O)NC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001574446882 949145453 /nfs/dbraw/zinc/14/54/53/949145453.db2.gz ZEYHTJLDFXCMSC-GFCCVEGCSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1occc1C(=O)NC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001574446882 949145463 /nfs/dbraw/zinc/14/54/63/949145463.db2.gz ZEYHTJLDFXCMSC-GFCCVEGCSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574447748 949174082 /nfs/dbraw/zinc/17/40/82/949174082.db2.gz ZWHQYRONNPZLIW-NSHDSACASA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574447748 949174098 /nfs/dbraw/zinc/17/40/98/949174098.db2.gz ZWHQYRONNPZLIW-NSHDSACASA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)[C@@H]1CN(c2nnc(C3CC3)n2Cc2ccc(-c3nnn[n-]3)o2)CCO1 ZINC001574100269 949191935 /nfs/dbraw/zinc/19/19/35/949191935.db2.gz SPXKFTLVIPENMN-HNNXBMFYSA-N -1 1 384.444 1.838 20 0 GDADMM CC(C)[C@@H]1CN(c2nnc(C3CC3)n2Cc2ccc(-c3nn[n-]n3)o2)CCO1 ZINC001574100269 949191947 /nfs/dbraw/zinc/19/19/47/949191947.db2.gz SPXKFTLVIPENMN-HNNXBMFYSA-N -1 1 384.444 1.838 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H](C)c1ccccc1F)Nc1nccnc1-c1nnn[n-]1 ZINC001574698585 949198628 /nfs/dbraw/zinc/19/86/28/949198628.db2.gz MTLMXHVGGJUWDV-RYUDHWBXSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H](C)c1ccccc1F)Nc1nccnc1-c1nn[n-]n1 ZINC001574698585 949198645 /nfs/dbraw/zinc/19/86/45/949198645.db2.gz MTLMXHVGGJUWDV-RYUDHWBXSA-N -1 1 384.419 1.858 20 0 GDADMM CC(C)c1oncc1C(=O)N(C)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574450281 949212301 /nfs/dbraw/zinc/21/23/01/949212301.db2.gz ZABCREPSCBADLW-LLVKDONJSA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1oncc1C(=O)N(C)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574450281 949212320 /nfs/dbraw/zinc/21/23/20/949212320.db2.gz ZABCREPSCBADLW-LLVKDONJSA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1scnc1C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574451114 949215219 /nfs/dbraw/zinc/21/52/19/949215219.db2.gz CFKFPBGGJRPENS-SNVBAGLBSA-N -1 1 385.457 1.563 20 0 GDADMM CC(C)c1scnc1C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574451114 949215244 /nfs/dbraw/zinc/21/52/44/949215244.db2.gz CFKFPBGGJRPENS-SNVBAGLBSA-N -1 1 385.457 1.563 20 0 GDADMM CC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)CC2=CCCCC2)CC1 ZINC001575853981 949224235 /nfs/dbraw/zinc/22/42/35/949224235.db2.gz PQAMGWYOARJYJJ-UHFFFAOYSA-N -1 1 382.472 1.762 20 0 GDADMM C[C@H](NC(=O)C1(C2CC2)CC1)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575255128 949226464 /nfs/dbraw/zinc/22/64/64/949226464.db2.gz PNHCRVCWASUZOM-QWHCGFSZSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](NC(=O)C1(C2CC2)CC1)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575255128 949226484 /nfs/dbraw/zinc/22/64/84/949226484.db2.gz PNHCRVCWASUZOM-QWHCGFSZSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(Cl)s1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574937264 949227550 /nfs/dbraw/zinc/22/75/50/949227550.db2.gz NPWJFFGBJINOHP-SECBINFHSA-N -1 1 392.876 1.779 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(Cl)s1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574937264 949227567 /nfs/dbraw/zinc/22/75/67/949227567.db2.gz NPWJFFGBJINOHP-SECBINFHSA-N -1 1 392.876 1.779 20 0 GDADMM C[C@H]1CCC[C@@H](C(=O)NC2(C)CCN(c3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001576151698 949231237 /nfs/dbraw/zinc/23/12/37/949231237.db2.gz IBZKGFLWMRIEGX-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCC[C@@H](C(=O)NC2(C)CCN(c3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001576151698 949231255 /nfs/dbraw/zinc/23/12/55/949231255.db2.gz IBZKGFLWMRIEGX-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574451744 949243783 /nfs/dbraw/zinc/24/37/83/949243783.db2.gz WSVJBDATIPLFAF-PHIMTYICSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574451744 949243807 /nfs/dbraw/zinc/24/38/07/949243807.db2.gz WSVJBDATIPLFAF-PHIMTYICSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1scnc1C(=O)NCC[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574451793 949246719 /nfs/dbraw/zinc/24/67/19/949246719.db2.gz ZAIJRQGJCDGEEE-JTQLQIEISA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)c1scnc1C(=O)NCC[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574451793 949246742 /nfs/dbraw/zinc/24/67/42/949246742.db2.gz ZAIJRQGJCDGEEE-JTQLQIEISA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)n1cc(C(=O)N[C@H](CNc2nccnc2-c2nnn[n-]2)C2CC2)cn1 ZINC001574452479 949265949 /nfs/dbraw/zinc/26/59/49/949265949.db2.gz KLQWQHKBRKXFSU-CYBMUJFWSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cc(C(=O)N[C@H](CNc2nccnc2-c2nn[n-]n2)C2CC2)cn1 ZINC001574452479 949265971 /nfs/dbraw/zinc/26/59/71/949265971.db2.gz KLQWQHKBRKXFSU-CYBMUJFWSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)C1CC2(C1)CCOCC2 ZINC001575257547 949279333 /nfs/dbraw/zinc/27/93/33/949279333.db2.gz AIBZQWJZPZAAAW-NEPJUHHUSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)C1CC2(C1)CCOCC2 ZINC001575257547 949279355 /nfs/dbraw/zinc/27/93/55/949279355.db2.gz AIBZQWJZPZAAAW-NEPJUHHUSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@@H]1CCC[C@]1(C)C(=O)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576153326 949280661 /nfs/dbraw/zinc/28/06/61/949280661.db2.gz LVCGZAHIPFOWJE-YJYMSZOUSA-N -1 1 384.488 1.555 20 0 GDADMM C[C@@H]1CCC[C@@H](OCC(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001576153348 949285957 /nfs/dbraw/zinc/28/59/57/949285957.db2.gz LYGWFVXQFDKVPR-YIYPIFLZSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H]1CCC[C@@H](OCC(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001576153348 949285976 /nfs/dbraw/zinc/28/59/76/949285976.db2.gz LYGWFVXQFDKVPR-YIYPIFLZSA-N -1 1 386.460 1.311 20 0 GDADMM CC(C)(C)C(=O)C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C12CCC2 ZINC001573793167 949286214 /nfs/dbraw/zinc/28/62/14/949286214.db2.gz NBUPLRQBAYYTRA-RYUDHWBXSA-N -1 1 384.444 1.111 20 0 GDADMM CC(C)(C)C(=O)C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C12CCC2 ZINC001573793167 949286235 /nfs/dbraw/zinc/28/62/35/949286235.db2.gz NBUPLRQBAYYTRA-RYUDHWBXSA-N -1 1 384.444 1.111 20 0 GDADMM CC(C)(C)C(=O)C(=O)N[C@@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C12CCC2 ZINC001573793168 949286772 /nfs/dbraw/zinc/28/67/72/949286772.db2.gz NBUPLRQBAYYTRA-VXGBXAGGSA-N -1 1 384.444 1.111 20 0 GDADMM CC(C)(C)C(=O)C(=O)N[C@@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C12CCC2 ZINC001573793168 949286790 /nfs/dbraw/zinc/28/67/90/949286790.db2.gz NBUPLRQBAYYTRA-VXGBXAGGSA-N -1 1 384.444 1.111 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@]1(C)CCc2ccccc21)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574703155 949312095 /nfs/dbraw/zinc/31/20/95/949312095.db2.gz SBIARSOYHDVCEP-RBZFPXEDSA-N -1 1 392.467 1.820 20 0 GDADMM CC(C)(C)C(=O)N1CCCC[C@@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001573794134 949311939 /nfs/dbraw/zinc/31/19/39/949311939.db2.gz AZXDRKBMKBHWFK-IBGZPJMESA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)(C)C(=O)N1CCCC[C@@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001573794134 949311959 /nfs/dbraw/zinc/31/19/59/949311959.db2.gz AZXDRKBMKBHWFK-IBGZPJMESA-N -1 1 384.488 1.912 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@]1(C)CCc2ccccc21)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574703155 949312112 /nfs/dbraw/zinc/31/21/12/949312112.db2.gz SBIARSOYHDVCEP-RBZFPXEDSA-N -1 1 392.467 1.820 20 0 GDADMM CC(C)CC(=O)N1CCC[C@H]([C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001574108969 949312460 /nfs/dbraw/zinc/31/24/60/949312460.db2.gz SSASKZQMKARHHJ-LSDHHAIUSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cocn1 ZINC001576154106 949318418 /nfs/dbraw/zinc/31/84/18/949318418.db2.gz BZXLAIPCWXOMFC-PIGZYNQJSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cocn1 ZINC001576154106 949318439 /nfs/dbraw/zinc/31/84/39/949318439.db2.gz BZXLAIPCWXOMFC-PIGZYNQJSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@@H](NC(=O)C1CC(F)(F)C1)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575259439 949327658 /nfs/dbraw/zinc/32/76/58/949327658.db2.gz OLETWVRHFKSAIX-GHMZBOCLSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@@H](NC(=O)C1CC(F)(F)C1)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575259439 949327683 /nfs/dbraw/zinc/32/76/83/949327683.db2.gz OLETWVRHFKSAIX-GHMZBOCLSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2(C)CC(F)(F)C2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575865742 949383433 /nfs/dbraw/zinc/38/34/33/949383433.db2.gz BQEMOWMRJMQZMK-GHMZBOCLSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2(C)CC(F)(F)C2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575865742 949383452 /nfs/dbraw/zinc/38/34/52/949383452.db2.gz BQEMOWMRJMQZMK-GHMZBOCLSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H]1CCC[C@@H]1CC(=O)N1CCC(N(C)c2nccnc2-c2nnn[n-]2)CC1 ZINC001576155142 949386083 /nfs/dbraw/zinc/38/60/83/949386083.db2.gz GROKFZFMBUKXKA-UONOGXRCSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CCC[C@@H]1CC(=O)N1CCC(N(C)c2nccnc2-c2nn[n-]n2)CC1 ZINC001576155142 949386105 /nfs/dbraw/zinc/38/61/05/949386105.db2.gz GROKFZFMBUKXKA-UONOGXRCSA-N -1 1 384.488 1.910 20 0 GDADMM CC1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575528287 949395221 /nfs/dbraw/zinc/39/52/21/949395221.db2.gz QSTOBDZDZMXWPR-DGAVXFQQSA-N -1 1 380.456 1.130 20 0 GDADMM CC(C)n1cnc(C(=O)NCC2CC(Nc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001574464169 949396666 /nfs/dbraw/zinc/39/66/66/949396666.db2.gz HUILJBKGTBNKFW-UHFFFAOYSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cnc(C(=O)NCC2CC(Nc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001574464169 949396687 /nfs/dbraw/zinc/39/66/87/949396687.db2.gz HUILJBKGTBNKFW-UHFFFAOYSA-N -1 1 382.432 1.055 20 0 GDADMM CC1(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cnc(-c3nnn[n-]3)cn2)CCCCC1 ZINC001575528413 949401208 /nfs/dbraw/zinc/40/12/08/949401208.db2.gz VJGLBUXEJSLPKB-OKILXGFUSA-N -1 1 382.472 1.807 20 0 GDADMM CC1(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cnc(-c3nn[n-]n3)cn2)CCCCC1 ZINC001575528413 949401213 /nfs/dbraw/zinc/40/12/13/949401213.db2.gz VJGLBUXEJSLPKB-OKILXGFUSA-N -1 1 382.472 1.807 20 0 GDADMM CC1(C(=O)N2CC[C@@H](CCNc3ccnc(-c4nn[n-]n4)n3)C2)CCCCC1 ZINC001575534779 949433386 /nfs/dbraw/zinc/43/33/86/949433386.db2.gz PFEHCKIGPYTRMO-CQSZACIVSA-N -1 1 384.488 1.700 20 0 GDADMM CC(C)n1cccc1C(=O)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574465194 949435006 /nfs/dbraw/zinc/43/50/06/949435006.db2.gz SCVPMCOYWKEUBL-CYBMUJFWSA-N -1 1 381.444 1.756 20 0 GDADMM CC(C)n1cccc1C(=O)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574465194 949435018 /nfs/dbraw/zinc/43/50/18/949435018.db2.gz SCVPMCOYWKEUBL-CYBMUJFWSA-N -1 1 381.444 1.756 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1=CCCC1 ZINC001576156579 949450635 /nfs/dbraw/zinc/45/06/35/949450635.db2.gz NDQXWCNFYOWNCY-YJYMSZOUSA-N -1 1 382.472 1.666 20 0 GDADMM CC(C)(C)C(=O)NC[C@H]1Cc2ccccc2CN1c1nccnc1-c1nnn[n-]1 ZINC001573803843 949452404 /nfs/dbraw/zinc/45/24/04/949452404.db2.gz ULZPCBHVTIWYFO-OAHLLOKOSA-N -1 1 392.467 1.750 20 0 GDADMM CC(C)(C)C(=O)NC[C@H]1Cc2ccccc2CN1c1nccnc1-c1nn[n-]n1 ZINC001573803843 949452416 /nfs/dbraw/zinc/45/24/16/949452416.db2.gz ULZPCBHVTIWYFO-OAHLLOKOSA-N -1 1 392.467 1.750 20 0 GDADMM CC(C)n1ncc(C(=O)N[C@@H](C)CNc2ccc(-c3nnn[n-]3)nn2)c1Cl ZINC001574468546 949461661 /nfs/dbraw/zinc/46/16/61/949461661.db2.gz PIDXUXAYCNMRGF-VIFPVBQESA-N -1 1 390.839 1.318 20 0 GDADMM CC(C)n1ncc(C(=O)N[C@@H](C)CNc2ccc(-c3nn[n-]n3)nn2)c1Cl ZINC001574468546 949461677 /nfs/dbraw/zinc/46/16/77/949461677.db2.gz PIDXUXAYCNMRGF-VIFPVBQESA-N -1 1 390.839 1.318 20 0 GDADMM CC(C)(C)C(=O)NC[C@H]1COCCN1c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573804024 949461985 /nfs/dbraw/zinc/46/19/85/949461985.db2.gz ZYRVUZVOQIPTFH-QMMMGPOBSA-N -1 1 385.881 1.344 20 0 GDADMM C[C@@]1(C(=O)N2CC[C@H](Nc3nc(Cl)c(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575537438 949493095 /nfs/dbraw/zinc/49/30/95/949493095.db2.gz UVRGFUVCJMGPNS-RMLUDKJBSA-N -1 1 383.865 1.416 20 0 GDADMM C[C@@]1(C(=O)N2CC[C@H](Nc3nc(Cl)c(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575537438 949493109 /nfs/dbraw/zinc/49/31/09/949493109.db2.gz UVRGFUVCJMGPNS-RMLUDKJBSA-N -1 1 383.865 1.416 20 0 GDADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)CC1(C(F)(F)F)CC1 ZINC001575267293 949499154 /nfs/dbraw/zinc/49/91/54/949499154.db2.gz HWBCNZKFIWFWMF-BDAKNGLRSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)CC1(C(F)(F)F)CC1 ZINC001575267293 949499165 /nfs/dbraw/zinc/49/91/65/949499165.db2.gz HWBCNZKFIWFWMF-BDAKNGLRSA-N -1 1 384.366 1.694 20 0 GDADMM CC1(C(=O)N2CC[C@@H]3[C@H](CCN3c3ccnc(-c4nn[n-]n4)n3)C2)CCCC1 ZINC001575537736 949499481 /nfs/dbraw/zinc/49/94/81/949499481.db2.gz ARNFHYGSVNOQSW-ZIAGYGMSSA-N -1 1 382.472 1.664 20 0 GDADMM C[C@H]1CCC[C@H]1CC(=O)NC1(C)CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001576158588 949499490 /nfs/dbraw/zinc/49/94/90/949499490.db2.gz UKSUQUXWBFCUTO-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCC[C@H]1CC(=O)NC1(C)CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001576158588 949499506 /nfs/dbraw/zinc/49/95/06/949499506.db2.gz UKSUQUXWBFCUTO-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCC[C@H]1CC(=O)NC1(C)CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001576158589 949500832 /nfs/dbraw/zinc/50/08/32/949500832.db2.gz UKSUQUXWBFCUTO-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCC[C@H]1CC(=O)NC1(C)CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001576158589 949500852 /nfs/dbraw/zinc/50/08/52/949500852.db2.gz UKSUQUXWBFCUTO-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@]1(C(=O)N2CCC[C@H](CCNc3nccnc3-c3nnn[n-]3)C2)CCOC1 ZINC001575538184 949512756 /nfs/dbraw/zinc/51/27/56/949512756.db2.gz DQQUJBLGURGWJP-ACJLOTCBSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@]1(C(=O)N2CCC[C@H](CCNc3nccnc3-c3nn[n-]n3)C2)CCOC1 ZINC001575538184 949512777 /nfs/dbraw/zinc/51/27/77/949512777.db2.gz DQQUJBLGURGWJP-ACJLOTCBSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CCCF ZINC001576159971 949521324 /nfs/dbraw/zinc/52/13/24/949521324.db2.gz YIZAPCHIKAQICW-SJKOYZFVSA-N -1 1 376.440 1.883 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CCCF ZINC001576159971 949521345 /nfs/dbraw/zinc/52/13/45/949521345.db2.gz YIZAPCHIKAQICW-SJKOYZFVSA-N -1 1 376.440 1.883 20 0 GDADMM C[C@]1(C(=O)N2CCC[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)CCCOC1 ZINC001575538406 949524197 /nfs/dbraw/zinc/52/41/97/949524197.db2.gz GWVDDVFWMPMXDT-ACJLOTCBSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@]1(C(=O)N2CCC[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)CCCOC1 ZINC001575538406 949524212 /nfs/dbraw/zinc/52/42/12/949524212.db2.gz GWVDDVFWMPMXDT-ACJLOTCBSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@@H](NC(=O)CC1(O)CCC1)[C@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001575269219 949542745 /nfs/dbraw/zinc/54/27/45/949542745.db2.gz SLGUDPRRMYPNBZ-SFYZADRCSA-N -1 1 385.881 1.587 20 0 GDADMM C[C@@H](NC(=O)CC1(O)CCC1)[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575269219 949542776 /nfs/dbraw/zinc/54/27/76/949542776.db2.gz SLGUDPRRMYPNBZ-SFYZADRCSA-N -1 1 385.881 1.587 20 0 GDADMM C[C@H]1CCCC[C@H]1OCC(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001576163982 949545445 /nfs/dbraw/zinc/54/54/45/949545445.db2.gz DVAWIDGAZGVMGN-XDQVBPFNSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@H]1CCCC[C@H]1OCC(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001576163982 949545457 /nfs/dbraw/zinc/54/54/57/949545457.db2.gz DVAWIDGAZGVMGN-XDQVBPFNSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H](NC(=O)CC1(C(F)(F)F)CC1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575269253 949547190 /nfs/dbraw/zinc/54/71/90/949547190.db2.gz SNERWRPYLXDORH-DTWKUNHWSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](NC(=O)CC1(C(F)(F)F)CC1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575269253 949547206 /nfs/dbraw/zinc/54/72/06/949547206.db2.gz SNERWRPYLXDORH-DTWKUNHWSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C23CCC(CC2)C3)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575872708 949558863 /nfs/dbraw/zinc/55/88/63/949558863.db2.gz LAYRDGRHIQPOPR-PNBPBRNGSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2(CCF)CC2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576164891 949560070 /nfs/dbraw/zinc/56/00/70/949560070.db2.gz IEWVZEJNEDELPG-CHWSQXEVSA-N -1 1 388.451 1.257 20 0 GDADMM CC(C)C[C@@H](C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1)n1ccnc1 ZINC001574124380 949569056 /nfs/dbraw/zinc/56/90/56/949569056.db2.gz FXLMWIZNLKFJTP-AWEZNQCLSA-N -1 1 384.448 1.011 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC(C)(C)O)[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001576165877 949573782 /nfs/dbraw/zinc/57/37/82/949573782.db2.gz KJLZZEMLSZVPFH-OLZOCXBDSA-N -1 1 388.476 1.247 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC(C)(C)O)[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001576165877 949573800 /nfs/dbraw/zinc/57/38/00/949573800.db2.gz KJLZZEMLSZVPFH-OLZOCXBDSA-N -1 1 388.476 1.247 20 0 GDADMM C[C@H]1CCCN(C(=O)C2CCCC2)[C@@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576166656 949583170 /nfs/dbraw/zinc/58/31/70/949583170.db2.gz NFEOKCTUEYAIGD-DZGCQCFKSA-N -1 1 384.488 1.698 20 0 GDADMM C[C@H](CC(=O)N(C)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001574476040 949586729 /nfs/dbraw/zinc/58/67/29/949586729.db2.gz FFBFRBLIASKGDG-OLZOCXBDSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@H](CC(=O)N(C)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001574476040 949586750 /nfs/dbraw/zinc/58/67/50/949586750.db2.gz FFBFRBLIASKGDG-OLZOCXBDSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CCC(F)(F)F)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575873675 949587231 /nfs/dbraw/zinc/58/72/31/949587231.db2.gz BKPDQSLSBSFGII-ZJUUUORDSA-N -1 1 384.366 1.473 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CCC(F)(F)F)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575873675 949587241 /nfs/dbraw/zinc/58/72/41/949587241.db2.gz BKPDQSLSBSFGII-ZJUUUORDSA-N -1 1 384.366 1.473 20 0 GDADMM CC1(C(=O)N2CCCC[C@@H]2[C@H]2CCCN2c2nccnc2-c2nnn[n-]2)CC1 ZINC001575544928 949592391 /nfs/dbraw/zinc/59/23/91/949592391.db2.gz HOUJUZPYTZGWMV-ZIAGYGMSSA-N -1 1 382.472 1.807 20 0 GDADMM CC1(C(=O)N2CCCC[C@@H]2[C@H]2CCCN2c2nccnc2-c2nn[n-]n2)CC1 ZINC001575544928 949592412 /nfs/dbraw/zinc/59/24/12/949592412.db2.gz HOUJUZPYTZGWMV-ZIAGYGMSSA-N -1 1 382.472 1.807 20 0 GDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](C)NC(=O)CCCc1ccccc1 ZINC001575270728 949601096 /nfs/dbraw/zinc/60/10/96/949601096.db2.gz FSSPMMXDUPDLKN-KGLIPLIRSA-N -1 1 380.456 1.985 20 0 GDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](C)NC(=O)CCCc1ccccc1 ZINC001575270728 949601118 /nfs/dbraw/zinc/60/11/18/949601118.db2.gz FSSPMMXDUPDLKN-KGLIPLIRSA-N -1 1 380.456 1.985 20 0 GDADMM C[C@H]1CCCN(C(=O)C2CC3(CC3)C2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576168509 949640226 /nfs/dbraw/zinc/64/02/26/949640226.db2.gz UYXFKADNQWJHPE-SWLSCSKDSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@H]1CCCN(C(=O)C2CC3(CC3)C2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576168509 949640240 /nfs/dbraw/zinc/64/02/40/949640240.db2.gz UYXFKADNQWJHPE-SWLSCSKDSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C23CCC(CC2)C3)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575876766 949652778 /nfs/dbraw/zinc/65/27/78/949652778.db2.gz YDPIOSVOSDHJLW-QWHDWNGZSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C23CCC(CC2)C3)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575876766 949652793 /nfs/dbraw/zinc/65/27/93/949652793.db2.gz YDPIOSVOSDHJLW-QWHDWNGZSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H](NC(=O)CCCc1ccccc1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575272978 949653788 /nfs/dbraw/zinc/65/37/88/949653788.db2.gz TXXAUCFHZXAJDJ-KBPBESRZSA-N -1 1 380.456 1.985 20 0 GDADMM C[C@H](NC(=O)CCCc1ccccc1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575272978 949653800 /nfs/dbraw/zinc/65/38/00/949653800.db2.gz TXXAUCFHZXAJDJ-KBPBESRZSA-N -1 1 380.456 1.985 20 0 GDADMM C[C@H]1[C@H](NC(=O)CCc2ccccc2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575877781 949670829 /nfs/dbraw/zinc/67/08/29/949670829.db2.gz NAPZYCOHNUFVHC-GOEBONIOSA-N -1 1 392.467 1.763 20 0 GDADMM C[C@H]1[C@H](NC(=O)CCc2ccccc2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575877781 949670847 /nfs/dbraw/zinc/67/08/47/949670847.db2.gz NAPZYCOHNUFVHC-GOEBONIOSA-N -1 1 392.467 1.763 20 0 GDADMM C[C@H](CC(=O)N(C)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001574477819 949678232 /nfs/dbraw/zinc/67/82/32/949678232.db2.gz VFKZQEYKNJGLES-NXEZZACHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@H](CC(=O)N(C)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001574477819 949678243 /nfs/dbraw/zinc/67/82/43/949678243.db2.gz VFKZQEYKNJGLES-NXEZZACHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H]1CCCC[C@H]1CC(=O)N(CCO)CCNc1nccnc1-c1nnn[n-]1 ZINC001576169457 949681056 /nfs/dbraw/zinc/68/10/56/949681056.db2.gz JIODFKNWSNQGLB-KGLIPLIRSA-N -1 1 388.476 1.106 20 0 GDADMM C[C@@H]1CCCC[C@H]1CC(=O)N(CCO)CCNc1nccnc1-c1nn[n-]n1 ZINC001576169457 949681068 /nfs/dbraw/zinc/68/10/68/949681068.db2.gz JIODFKNWSNQGLB-KGLIPLIRSA-N -1 1 388.476 1.106 20 0 GDADMM C[C@@H](CN(C)C(=O)CC1(C(F)(F)F)CC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574716155 949684464 /nfs/dbraw/zinc/68/44/64/949684464.db2.gz NIDVTNHXQYAGPH-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](CN(C)C(=O)CC1(C(F)(F)F)CC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574716155 949684486 /nfs/dbraw/zinc/68/44/86/949684486.db2.gz NIDVTNHXQYAGPH-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001573817790 949708920 /nfs/dbraw/zinc/70/89/20/949708920.db2.gz BBIVFICYGLZZDQ-IHRRRGAJSA-N -1 1 384.488 1.458 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccsc1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574959760 949714363 /nfs/dbraw/zinc/71/43/63/949714363.db2.gz SQSNIVYAFCZCAF-WCFLWFBJSA-N -1 1 384.469 1.463 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccsc1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574959760 949714383 /nfs/dbraw/zinc/71/43/83/949714383.db2.gz SQSNIVYAFCZCAF-WCFLWFBJSA-N -1 1 384.469 1.463 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)COC2CCCC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575881310 949718074 /nfs/dbraw/zinc/71/80/74/949718074.db2.gz XHKFSLCPQIMJJE-OCCSQVGLSA-N -1 1 386.460 1.089 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)COC2CCCC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575881310 949718092 /nfs/dbraw/zinc/71/80/92/949718092.db2.gz XHKFSLCPQIMJJE-OCCSQVGLSA-N -1 1 386.460 1.089 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cc(Cl)c[nH]1 ZINC001573818175 949720523 /nfs/dbraw/zinc/72/05/23/949720523.db2.gz HPVACCCJRKBNJB-GFCCVEGCSA-N -1 1 389.851 1.895 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cc(Cl)c[nH]1 ZINC001573818175 949720565 /nfs/dbraw/zinc/72/05/65/949720565.db2.gz HPVACCCJRKBNJB-GFCCVEGCSA-N -1 1 389.851 1.895 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001574478762 949720743 /nfs/dbraw/zinc/72/07/43/949720743.db2.gz AIACJOASPQGSHU-KGLIPLIRSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574478762 949720772 /nfs/dbraw/zinc/72/07/72/949720772.db2.gz AIACJOASPQGSHU-KGLIPLIRSA-N -1 1 381.444 1.147 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C1(C)CCOCC1 ZINC001575557617 949724291 /nfs/dbraw/zinc/72/42/91/949724291.db2.gz JSQVLZNPHLXBFU-ZDUSSCGKSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C1(C)CCOCC1 ZINC001575557617 949724298 /nfs/dbraw/zinc/72/42/98/949724298.db2.gz JSQVLZNPHLXBFU-ZDUSSCGKSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@]1(C(=O)N2C[C@H]3CCN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]3C2)CC=CCC1 ZINC001575559054 949747298 /nfs/dbraw/zinc/74/72/98/949747298.db2.gz UHMYHGWPCMBLNY-SIFCLUCFSA-N -1 1 394.483 1.688 20 0 GDADMM C[C@@H]1CCCC[C@H]1C(=O)N1CCC(N(C)c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001576171124 949752374 /nfs/dbraw/zinc/75/23/74/949752374.db2.gz ORUOMVDIXPMAOE-UKRRQHHQSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCCC[C@H]1C(=O)N1CCC(N(C)c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001576171124 949752386 /nfs/dbraw/zinc/75/23/86/949752386.db2.gz ORUOMVDIXPMAOE-UKRRQHHQSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001573820327 949764757 /nfs/dbraw/zinc/76/47/57/949764757.db2.gz XTZVDIXBVZXXJB-JMSVASOKSA-N -1 1 396.455 1.996 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001573820327 949764786 /nfs/dbraw/zinc/76/47/86/949764786.db2.gz XTZVDIXBVZXXJB-JMSVASOKSA-N -1 1 396.455 1.996 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cc1cccnc1 ZINC001573820653 949768163 /nfs/dbraw/zinc/76/81/63/949768163.db2.gz YKHAABZYRDQQHS-AWEZNQCLSA-N -1 1 381.444 1.237 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cc1cccnc1 ZINC001573820653 949768180 /nfs/dbraw/zinc/76/81/80/949768180.db2.gz YKHAABZYRDQQHS-AWEZNQCLSA-N -1 1 381.444 1.237 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CCC(F)(F)F ZINC001573820665 949769204 /nfs/dbraw/zinc/76/92/04/949769204.db2.gz YLMUIYJXZWXRJU-JTQLQIEISA-N -1 1 386.382 1.942 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CCC(F)(F)F ZINC001573820665 949769218 /nfs/dbraw/zinc/76/92/18/949769218.db2.gz YLMUIYJXZWXRJU-JTQLQIEISA-N -1 1 386.382 1.942 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)Cc1ccsc1 ZINC001573820684 949769372 /nfs/dbraw/zinc/76/93/72/949769372.db2.gz YSNLSBOKLSEGJW-GFCCVEGCSA-N -1 1 386.485 1.326 20 0 GDADMM C[C@@H]1CCCC[C@H]1C(=O)NCCC1(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576171697 949776396 /nfs/dbraw/zinc/77/63/96/949776396.db2.gz RDBOPFYYVJVJAL-ZIAGYGMSSA-N -1 1 384.488 1.603 20 0 GDADMM C[C@H]1CCCC[C@@H]1C(=O)N1CCC(N(C)c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576171977 949788826 /nfs/dbraw/zinc/78/88/26/949788826.db2.gz RZEZARAZGMRTDI-ZFWWWQNUSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CCCC[C@@H]1C(=O)N1CCC(N(C)c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576171977 949788836 /nfs/dbraw/zinc/78/88/36/949788836.db2.gz RZEZARAZGMRTDI-ZFWWWQNUSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](CC(=O)N1CCC(CN(C)c2cnc(-c3nnn[n-]3)cn2)CC1)C1CC1 ZINC001574481807 949803204 /nfs/dbraw/zinc/80/32/04/949803204.db2.gz VRUJLVHXCMAEFN-ZDUSSCGKSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](CC(=O)N1CCC(CN(C)c2cnc(-c3nn[n-]n3)cn2)CC1)C1CC1 ZINC001574481807 949803225 /nfs/dbraw/zinc/80/32/25/949803225.db2.gz VRUJLVHXCMAEFN-ZDUSSCGKSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](CNC(=O)c1c(F)cccc1Cl)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574965668 949804149 /nfs/dbraw/zinc/80/41/49/949804149.db2.gz IYNIHSZRMCCGOR-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CNC(=O)c1c(F)cccc1Cl)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574965668 949804171 /nfs/dbraw/zinc/80/41/71/949804171.db2.gz IYNIHSZRMCCGOR-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cccc(=O)[nH]1 ZINC001573822825 949809409 /nfs/dbraw/zinc/80/94/09/949809409.db2.gz NRJKTWAMMPOZEA-LLVKDONJSA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cccc(=O)[nH]1 ZINC001573822825 949809433 /nfs/dbraw/zinc/80/94/33/949809433.db2.gz NRJKTWAMMPOZEA-LLVKDONJSA-N -1 1 383.416 1.014 20 0 GDADMM C[C@H](CN(C)C(=O)CCc1ccccc1F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574721507 949819743 /nfs/dbraw/zinc/81/97/43/949819743.db2.gz MRKPAUWUYAKFFT-GFCCVEGCSA-N -1 1 384.419 1.687 20 0 GDADMM C[C@H](CN(C)C(=O)CCc1ccccc1F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574721507 949819760 /nfs/dbraw/zinc/81/97/60/949819760.db2.gz MRKPAUWUYAKFFT-GFCCVEGCSA-N -1 1 384.419 1.687 20 0 GDADMM C[C@H](CNC(=O)c1[nH]cnc1C(C)(C)C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574965980 949828235 /nfs/dbraw/zinc/82/82/35/949828235.db2.gz QVWRVWHBKBYNDK-JTQLQIEISA-N -1 1 384.448 1.155 20 0 GDADMM C[C@H](CNC(=O)c1[nH]cnc1C(C)(C)C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574965980 949828262 /nfs/dbraw/zinc/82/82/62/949828262.db2.gz QVWRVWHBKBYNDK-JTQLQIEISA-N -1 1 384.448 1.155 20 0 GDADMM C[C@@H](CNC(=O)c1c(F)cc(F)cc1F)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574966007 949836253 /nfs/dbraw/zinc/83/62/53/949836253.db2.gz RODXGYUOBKLFFO-QMMMGPOBSA-N -1 1 392.345 1.329 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1csc(=O)[nH]1 ZINC001573823820 949839762 /nfs/dbraw/zinc/83/97/62/949839762.db2.gz ZIWUPDRNDXLJIS-SNVBAGLBSA-N -1 1 389.445 1.075 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1csc(=O)[nH]1 ZINC001573823820 949839789 /nfs/dbraw/zinc/83/97/89/949839789.db2.gz ZIWUPDRNDXLJIS-SNVBAGLBSA-N -1 1 389.445 1.075 20 0 GDADMM CC(C)(C)C12CC(C(=O)N[C@H]3C[C@H](Nc4nccnc4-c4nnn[n-]4)C3)(C1)C2 ZINC001573823909 949845234 /nfs/dbraw/zinc/84/52/34/949845234.db2.gz BFLIRDZLHIREHN-YHOLATLBSA-N -1 1 382.472 1.932 20 0 GDADMM CC(C)(C)C12CC(C(=O)N[C@H]3C[C@H](Nc4nccnc4-c4nn[n-]n4)C3)(C1)C2 ZINC001573823909 949845255 /nfs/dbraw/zinc/84/52/55/949845255.db2.gz BFLIRDZLHIREHN-YHOLATLBSA-N -1 1 382.472 1.932 20 0 GDADMM C[C@@H](CNC(=O)c1c(F)cc(F)cc1F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574966480 949850248 /nfs/dbraw/zinc/85/02/48/949850248.db2.gz ZFVXYDGDACGEJF-ZETCQYMHSA-N -1 1 378.318 1.304 20 0 GDADMM C[C@@H](CNC(=O)c1c(F)cc(F)cc1F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574966480 949850273 /nfs/dbraw/zinc/85/02/73/949850273.db2.gz ZFVXYDGDACGEJF-ZETCQYMHSA-N -1 1 378.318 1.304 20 0 GDADMM CC(C)(C)C1CCC(Cn2c(=O)c(-c3nn[n-]n3)cn(CCO)c2=O)CC1 ZINC001573824944 949857557 /nfs/dbraw/zinc/85/75/57/949857557.db2.gz IJEXKEYRIARIFW-UHFFFAOYSA-N -1 1 376.461 1.035 20 0 GDADMM CC1(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CC(F)(F)C1 ZINC001575564908 949868848 /nfs/dbraw/zinc/86/88/48/949868848.db2.gz SWQFEDTUERRGKC-NSHDSACASA-N -1 1 392.414 1.567 20 0 GDADMM CC1(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CC(F)(F)C1 ZINC001575564908 949868863 /nfs/dbraw/zinc/86/88/63/949868863.db2.gz SWQFEDTUERRGKC-NSHDSACASA-N -1 1 392.414 1.567 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ccccc1 ZINC001574484311 949876890 /nfs/dbraw/zinc/87/68/90/949876890.db2.gz ZADWTZSUGGCYGR-DZGCQCFKSA-N -1 1 378.440 1.863 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ccccc1 ZINC001574484311 949876913 /nfs/dbraw/zinc/87/69/13/949876913.db2.gz ZADWTZSUGGCYGR-DZGCQCFKSA-N -1 1 378.440 1.863 20 0 GDADMM C[C@H](NC(=O)COC(C)(C)C)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575283553 949877989 /nfs/dbraw/zinc/87/79/89/949877989.db2.gz POPARYWYWMLQNM-QWHCGFSZSA-N -1 1 388.476 1.193 20 0 GDADMM C[C@H](NC(=O)COC(C)(C)C)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575283553 949878015 /nfs/dbraw/zinc/87/80/15/949878015.db2.gz POPARYWYWMLQNM-QWHCGFSZSA-N -1 1 388.476 1.193 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cscn2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576178235 949881339 /nfs/dbraw/zinc/88/13/39/949881339.db2.gz GUWRHZVSPLNDBD-GWCFXTLKSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cscn2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576178235 949881350 /nfs/dbraw/zinc/88/13/50/949881350.db2.gz GUWRHZVSPLNDBD-GWCFXTLKSA-N -1 1 385.457 1.466 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574144311 949905181 /nfs/dbraw/zinc/90/51/81/949905181.db2.gz NTAFQOSGVRTBKU-IHRRRGAJSA-N -1 1 388.476 1.557 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574144311 949905199 /nfs/dbraw/zinc/90/51/99/949905199.db2.gz NTAFQOSGVRTBKU-IHRRRGAJSA-N -1 1 388.476 1.557 20 0 GDADMM CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001573826305 949906910 /nfs/dbraw/zinc/90/69/10/949906910.db2.gz GPHQONXDLYWKGO-CHWSQXEVSA-N -1 1 389.460 1.240 20 0 GDADMM C[C@@H](CC(=O)N1CCCC[C@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001574484942 949912963 /nfs/dbraw/zinc/91/29/63/949912963.db2.gz SCLWNHRDOLJWPH-ZFWWWQNUSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](CC(=O)N1CCCC[C@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001574484942 949912981 /nfs/dbraw/zinc/91/29/81/949912981.db2.gz SCLWNHRDOLJWPH-ZFWWWQNUSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccco2)[C@@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576179307 949913142 /nfs/dbraw/zinc/91/31/42/949913142.db2.gz FITFXIAKIOWPRX-GXTWGEPZSA-N -1 1 382.428 1.993 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccco2)[C@@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576179307 949913155 /nfs/dbraw/zinc/91/31/55/949913155.db2.gz FITFXIAKIOWPRX-GXTWGEPZSA-N -1 1 382.428 1.993 20 0 GDADMM C[C@H](NC(=O)COC(C)(C)C)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575284796 949917359 /nfs/dbraw/zinc/91/73/59/949917359.db2.gz WNEXSMHXUSFUFZ-STQMWFEESA-N -1 1 388.476 1.193 20 0 GDADMM C[C@H](NC(=O)COC(C)(C)C)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575284796 949917381 /nfs/dbraw/zinc/91/73/81/949917381.db2.gz WNEXSMHXUSFUFZ-STQMWFEESA-N -1 1 388.476 1.193 20 0 GDADMM C[C@@H](CC(=O)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)c1ccccc1 ZINC001574485571 949923967 /nfs/dbraw/zinc/92/39/67/949923967.db2.gz XYRBIXLSFMBXOH-HNNXBMFYSA-N -1 1 392.467 1.889 20 0 GDADMM C[C@@H](CC(=O)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)c1ccccc1 ZINC001574485571 949923989 /nfs/dbraw/zinc/92/39/89/949923989.db2.gz XYRBIXLSFMBXOH-HNNXBMFYSA-N -1 1 392.467 1.889 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001574485307 949925723 /nfs/dbraw/zinc/92/57/23/949925723.db2.gz WVTTUYWXVKRUJI-ZIAGYGMSSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574485307 949925742 /nfs/dbraw/zinc/92/57/42/949925742.db2.gz WVTTUYWXVKRUJI-ZIAGYGMSSA-N -1 1 381.444 1.512 20 0 GDADMM CC(C)CC(CC(C)C)NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001574146075 949937883 /nfs/dbraw/zinc/93/78/83/949937883.db2.gz WWUQGSDVBRTWGE-UHFFFAOYSA-N -1 1 377.449 1.096 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574146287 949941531 /nfs/dbraw/zinc/94/15/31/949941531.db2.gz XKTFUDZXODHJSF-KBPBESRZSA-N -1 1 388.476 1.193 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574146287 949941559 /nfs/dbraw/zinc/94/15/59/949941559.db2.gz XKTFUDZXODHJSF-KBPBESRZSA-N -1 1 388.476 1.193 20 0 GDADMM CC(C)(C)CC(=O)N1CCC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001573829747 949964236 /nfs/dbraw/zinc/96/42/36/949964236.db2.gz DRSBXTFCIBEVKQ-IBGZPJMESA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)(C)CC(=O)N1CCC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001573829747 949964256 /nfs/dbraw/zinc/96/42/56/949964256.db2.gz DRSBXTFCIBEVKQ-IBGZPJMESA-N -1 1 384.488 1.912 20 0 GDADMM C[C@@H]1CCN(C(=O)CC(C)(F)F)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576180603 949966273 /nfs/dbraw/zinc/96/62/73/949966273.db2.gz FMDJAIFQEURVPZ-GHMZBOCLSA-N -1 1 380.403 1.020 20 0 GDADMM C[C@@H]1CCN(C(=O)CC(F)(F)F)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576180585 949967209 /nfs/dbraw/zinc/96/72/09/949967209.db2.gz FKICKUOXKMJPOS-ZJUUUORDSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@@H]1CCN(C(=O)CC(F)(F)F)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576180585 949967226 /nfs/dbraw/zinc/96/72/26/949967226.db2.gz FKICKUOXKMJPOS-ZJUUUORDSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@H](CC(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)C(F)(F)F ZINC001574490234 949986552 /nfs/dbraw/zinc/98/65/52/949986552.db2.gz PHTOZYOJJQSAFP-PSASIEDQSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](CC(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)C(F)(F)F ZINC001574490234 949986575 /nfs/dbraw/zinc/98/65/75/949986575.db2.gz PHTOZYOJJQSAFP-PSASIEDQSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001574490378 949989621 /nfs/dbraw/zinc/98/96/21/949989621.db2.gz QMUNEWUOKSRIGJ-WCABBAIRSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001574490378 949989642 /nfs/dbraw/zinc/98/96/42/949989642.db2.gz QMUNEWUOKSRIGJ-WCABBAIRSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ccc(F)c(F)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574728481 949992237 /nfs/dbraw/zinc/99/22/37/949992237.db2.gz BITPYGYGWDPPMZ-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ccc(F)c(F)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574728481 949992252 /nfs/dbraw/zinc/99/22/52/949992252.db2.gz BITPYGYGWDPPMZ-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1)c1ccco1 ZINC001574490492 949996895 /nfs/dbraw/zinc/99/68/95/949996895.db2.gz SZUUQOZUULRKQW-AVGNSLFASA-N -1 1 380.412 1.233 20 0 GDADMM CC1(C(=O)N[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CC2(C)C)CC(F)(F)C1 ZINC001575573700 950002934 /nfs/dbraw/zinc/00/29/34/950002934.db2.gz OGBXKLJKJUDUCA-NSHDSACASA-N -1 1 392.414 1.423 20 0 GDADMM CC1(C(=O)N[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CC2(C)C)CC(F)(F)C1 ZINC001575573700 950002957 /nfs/dbraw/zinc/00/29/57/950002957.db2.gz OGBXKLJKJUDUCA-NSHDSACASA-N -1 1 392.414 1.423 20 0 GDADMM CC1(C)CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1NC(=O)C1(C)CCCCC1 ZINC001575574577 950022647 /nfs/dbraw/zinc/02/26/47/950022647.db2.gz WXVVIXMQDIQWFD-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1NC(=O)C1(C)CCCCC1 ZINC001575574577 950022668 /nfs/dbraw/zinc/02/26/68/950022668.db2.gz WXVVIXMQDIQWFD-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccoc2)[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576182736 950058741 /nfs/dbraw/zinc/05/87/41/950058741.db2.gz PDPBIAYDVNIIMF-JSGCOSHPSA-N -1 1 382.428 1.415 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ccccc1Cl)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574731598 950060732 /nfs/dbraw/zinc/06/07/32/950060732.db2.gz XXVSPCSSGHELOW-NSHDSACASA-N -1 1 386.847 1.812 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ccccc1Cl)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574731598 950060755 /nfs/dbraw/zinc/06/07/55/950060755.db2.gz XXVSPCSSGHELOW-NSHDSACASA-N -1 1 386.847 1.812 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccccc2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576182771 950065563 /nfs/dbraw/zinc/06/55/63/950065563.db2.gz PGRLRMHXNPQRKG-UKRRQHHQSA-N -1 1 378.440 1.431 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2cccc(F)c2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575892261 950066297 /nfs/dbraw/zinc/06/62/97/950066297.db2.gz UZZGLVDKIWLWKE-FZMZJTMJSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2cccc(F)c2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575892261 950066320 /nfs/dbraw/zinc/06/63/20/950066320.db2.gz UZZGLVDKIWLWKE-FZMZJTMJSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cnco2)[C@@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576183397 950087210 /nfs/dbraw/zinc/08/72/10/950087210.db2.gz REKPUHQUOKXMST-WCQYABFASA-N -1 1 383.416 1.388 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cnco2)[C@@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576183397 950087230 /nfs/dbraw/zinc/08/72/30/950087230.db2.gz REKPUHQUOKXMST-WCQYABFASA-N -1 1 383.416 1.388 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cc[nH]c2)[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001576183716 950101368 /nfs/dbraw/zinc/10/13/68/950101368.db2.gz SYOZKAGOQXNQCK-JSGCOSHPSA-N -1 1 381.444 1.728 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cc[nH]c2)[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001576183716 950101380 /nfs/dbraw/zinc/10/13/80/950101380.db2.gz SYOZKAGOQXNQCK-JSGCOSHPSA-N -1 1 381.444 1.728 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cocn2)[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001576183719 950101967 /nfs/dbraw/zinc/10/19/67/950101967.db2.gz TUQQXVWXWLKEOL-AAEUAGOBSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cocn2)[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001576183719 950101977 /nfs/dbraw/zinc/10/19/77/950101977.db2.gz TUQQXVWXWLKEOL-AAEUAGOBSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccc[nH]2)[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576184057 950113096 /nfs/dbraw/zinc/11/30/96/950113096.db2.gz VNPOPCOGGVOWRA-OCCSQVGLSA-N -1 1 381.444 1.150 20 0 GDADMM C[C@]1(C(=O)NCC2(Nc3cnc(-c4nnn[n-]4)cn3)CC2)CCc2ccccc21 ZINC001575582617 950119289 /nfs/dbraw/zinc/11/92/89/950119289.db2.gz LLYDZWLGFJOLOP-IBGZPJMESA-N -1 1 390.451 1.622 20 0 GDADMM C[C@]1(C(=O)NCC2(Nc3cnc(-c4nn[n-]n4)cn3)CC2)CCc2ccccc21 ZINC001575582617 950119307 /nfs/dbraw/zinc/11/93/07/950119307.db2.gz LLYDZWLGFJOLOP-IBGZPJMESA-N -1 1 390.451 1.622 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cc[nH]c2)[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576184394 950128278 /nfs/dbraw/zinc/12/82/78/950128278.db2.gz WHEYHXRSOAPLKP-WFASDCNBSA-N -1 1 381.444 1.728 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cc[nH]c2)[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576184394 950128293 /nfs/dbraw/zinc/12/82/93/950128293.db2.gz WHEYHXRSOAPLKP-WFASDCNBSA-N -1 1 381.444 1.728 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccns2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576184565 950132309 /nfs/dbraw/zinc/13/23/09/950132309.db2.gz WJYQMIUVKKZLKQ-JQWIXIFHSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccns2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576184565 950132326 /nfs/dbraw/zinc/13/23/26/950132326.db2.gz WJYQMIUVKKZLKQ-JQWIXIFHSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001574494166 950151129 /nfs/dbraw/zinc/15/11/29/950151129.db2.gz XOUUDEVOWAGHSW-UONOGXRCSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574494166 950151139 /nfs/dbraw/zinc/15/11/39/950151139.db2.gz XOUUDEVOWAGHSW-UONOGXRCSA-N -1 1 381.444 1.195 20 0 GDADMM CC1(C(=O)NCC2(Nc3cncc(-c4nnn[n-]4)n3)CCOCC2)CCCC1 ZINC001575583756 950155967 /nfs/dbraw/zinc/15/59/67/950155967.db2.gz UHQJSWCJJFZJGT-UHFFFAOYSA-N -1 1 386.460 1.314 20 0 GDADMM CC1(C(=O)NCC2(Nc3cncc(-c4nn[n-]n4)n3)CCOCC2)CCCC1 ZINC001575583756 950155983 /nfs/dbraw/zinc/15/59/83/950155983.db2.gz UHQJSWCJJFZJGT-UHFFFAOYSA-N -1 1 386.460 1.314 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccsc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574735068 950159593 /nfs/dbraw/zinc/15/95/93/950159593.db2.gz ZBKRTJAZDXWCGV-WCFLWFBJSA-N -1 1 384.469 1.781 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccsc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574735068 950159606 /nfs/dbraw/zinc/15/96/06/950159606.db2.gz ZBKRTJAZDXWCGV-WCFLWFBJSA-N -1 1 384.469 1.781 20 0 GDADMM C[C@H](CC(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC001574494297 950161111 /nfs/dbraw/zinc/16/11/11/950161111.db2.gz JWAJKOJQYCTWMP-KGLIPLIRSA-N -1 1 380.456 1.791 20 0 GDADMM C[C@H](CC(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC001574494297 950161122 /nfs/dbraw/zinc/16/11/22/950161122.db2.gz JWAJKOJQYCTWMP-KGLIPLIRSA-N -1 1 380.456 1.791 20 0 GDADMM C[C@@H](CNC(=O)c1c[nH]c2ccc(F)cc12)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574982532 950171626 /nfs/dbraw/zinc/17/16/26/950171626.db2.gz CSMDHFQGNQCMSQ-VIFPVBQESA-N -1 1 381.375 1.508 20 0 GDADMM C[C@@H](CNC(=O)c1c[nH]c2ccc(F)cc12)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574982532 950171633 /nfs/dbraw/zinc/17/16/33/950171633.db2.gz CSMDHFQGNQCMSQ-VIFPVBQESA-N -1 1 381.375 1.508 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CC1CCOCC1 ZINC001574154756 950177894 /nfs/dbraw/zinc/17/78/94/950177894.db2.gz HBUMGBFLDIMVRL-CQSZACIVSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CC1CCOCC1 ZINC001574154756 950177902 /nfs/dbraw/zinc/17/79/02/950177902.db2.gz HBUMGBFLDIMVRL-CQSZACIVSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1ccc(F)cn1 ZINC001574155012 950181856 /nfs/dbraw/zinc/18/18/56/950181856.db2.gz HWQHVKKSGCIOAK-GFCCVEGCSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ccc(F)cn1 ZINC001574155012 950181866 /nfs/dbraw/zinc/18/18/66/950181866.db2.gz HWQHVKKSGCIOAK-GFCCVEGCSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CC[C@H]1CCOC1 ZINC001574155018 950184211 /nfs/dbraw/zinc/18/42/11/950184211.db2.gz IABSTRGIYMLRDC-UONOGXRCSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CC[C@H]1CCOC1 ZINC001574155018 950184241 /nfs/dbraw/zinc/18/42/41/950184241.db2.gz IABSTRGIYMLRDC-UONOGXRCSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2occc2Cl)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575900700 950205780 /nfs/dbraw/zinc/20/57/80/950205780.db2.gz HRMNUTQCDFZQNB-MWLCHTKSSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2occc2Cl)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575900700 950205797 /nfs/dbraw/zinc/20/57/97/950205797.db2.gz HRMNUTQCDFZQNB-MWLCHTKSSA-N -1 1 388.819 1.690 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)Cc1ccccc1 ZINC001574156099 950224167 /nfs/dbraw/zinc/22/41/67/950224167.db2.gz WSAPNYCCFHQDJT-OAHLLOKOSA-N -1 1 380.456 1.842 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)Cc1ccccc1 ZINC001574156099 950224184 /nfs/dbraw/zinc/22/41/84/950224184.db2.gz WSAPNYCCFHQDJT-OAHLLOKOSA-N -1 1 380.456 1.842 20 0 GDADMM C[C@H](CN(C)C(=O)c1c(F)cc(F)cc1F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574740238 950226063 /nfs/dbraw/zinc/22/60/63/950226063.db2.gz CMHSNGQXNAYLIU-MRVPVSSYSA-N -1 1 392.345 1.647 20 0 GDADMM C[C@H](CN(C)C(=O)c1c(F)cc(F)cc1F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574740238 950226078 /nfs/dbraw/zinc/22/60/78/950226078.db2.gz CMHSNGQXNAYLIU-MRVPVSSYSA-N -1 1 392.345 1.647 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@]1(C)CCCOC1 ZINC001574156149 950230091 /nfs/dbraw/zinc/23/00/91/950230091.db2.gz XPXAZQZUAOJVOI-FZKQIMNGSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@]1(C)CCCOC1 ZINC001574156149 950230108 /nfs/dbraw/zinc/23/01/08/950230108.db2.gz XPXAZQZUAOJVOI-FZKQIMNGSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001573845757 950241679 /nfs/dbraw/zinc/24/16/79/950241679.db2.gz KSIDKVCXOVDRHF-GXTWGEPZSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001573845757 950241699 /nfs/dbraw/zinc/24/16/99/950241699.db2.gz KSIDKVCXOVDRHF-GXTWGEPZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc2n[nH]cc2-c2nnn[n-]2)C1 ZINC001576192505 950249448 /nfs/dbraw/zinc/24/94/48/950249448.db2.gz OVGPNFQSODRLGZ-KOLCDFICSA-N -1 1 376.421 1.564 20 0 GDADMM C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc2n[nH]cc2-c2nn[n-]n2)C1 ZINC001576192505 950249465 /nfs/dbraw/zinc/24/94/65/950249465.db2.gz OVGPNFQSODRLGZ-KOLCDFICSA-N -1 1 376.421 1.564 20 0 GDADMM CC1(C(=O)NC[C@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)CC(F)(F)C1 ZINC001575588772 950251410 /nfs/dbraw/zinc/25/14/10/950251410.db2.gz RWWHUOFQGQUDNO-SNVBAGLBSA-N -1 1 378.387 1.177 20 0 GDADMM C[C@H](CC(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1)CC(C)(C)C ZINC001574498254 950269098 /nfs/dbraw/zinc/26/90/98/950269098.db2.gz LJXAPDNUNBKCFA-VXGBXAGGSA-N -1 1 376.465 1.008 20 0 GDADMM C[C@H](CC(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1)CC(C)(C)C ZINC001574498254 950269118 /nfs/dbraw/zinc/26/91/18/950269118.db2.gz LJXAPDNUNBKCFA-VXGBXAGGSA-N -1 1 376.465 1.008 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C1C=CC=CC=C1 ZINC001574158503 950283276 /nfs/dbraw/zinc/28/32/76/950283276.db2.gz BUUBMFYZNDPCDF-HNNXBMFYSA-N -1 1 380.456 1.898 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C1C=CC=CC=C1 ZINC001574158503 950283296 /nfs/dbraw/zinc/28/32/96/950283296.db2.gz BUUBMFYZNDPCDF-HNNXBMFYSA-N -1 1 380.456 1.898 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H](C)C(C)(F)F ZINC001574158901 950295270 /nfs/dbraw/zinc/29/52/70/950295270.db2.gz FCCUWESOTSHVOQ-GHMZBOCLSA-N -1 1 382.419 1.891 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)C(C)(F)F ZINC001574158901 950295280 /nfs/dbraw/zinc/29/52/80/950295280.db2.gz FCCUWESOTSHVOQ-GHMZBOCLSA-N -1 1 382.419 1.891 20 0 GDADMM C[C@@H](CC(=O)NCC1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001574499759 950306039 /nfs/dbraw/zinc/30/60/39/950306039.db2.gz WUEAHAUNWVIZKE-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](CC(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1)C1CCCCC1 ZINC001574499816 950309580 /nfs/dbraw/zinc/30/95/80/950309580.db2.gz XGNZWLNYCXYCHR-TZMCWYRMSA-N -1 1 388.476 1.152 20 0 GDADMM C[C@H](CC(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1)C1CCCCC1 ZINC001574499816 950309605 /nfs/dbraw/zinc/30/96/05/950309605.db2.gz XGNZWLNYCXYCHR-TZMCWYRMSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C[C@@H]1CCCOC1 ZINC001574159609 950309964 /nfs/dbraw/zinc/30/99/64/950309964.db2.gz WSBRJEIIHYKUEZ-KBPBESRZSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@@H]1CCCOC1 ZINC001574159609 950309983 /nfs/dbraw/zinc/30/99/83/950309983.db2.gz WSBRJEIIHYKUEZ-KBPBESRZSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1)C1CCCCC1 ZINC001574499812 950310605 /nfs/dbraw/zinc/31/06/05/950310605.db2.gz XGNZWLNYCXYCHR-OCCSQVGLSA-N -1 1 388.476 1.152 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1)C1CCCCC1 ZINC001574499812 950310626 /nfs/dbraw/zinc/31/06/26/950310626.db2.gz XGNZWLNYCXYCHR-OCCSQVGLSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001573853457 950320868 /nfs/dbraw/zinc/32/08/68/950320868.db2.gz PEQBGOZLQYAIRN-QGZVFWFLSA-N -1 1 391.407 1.227 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001573853457 950320892 /nfs/dbraw/zinc/32/08/92/950320892.db2.gz PEQBGOZLQYAIRN-QGZVFWFLSA-N -1 1 391.407 1.227 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CSC(C)C ZINC001574160303 950338442 /nfs/dbraw/zinc/33/84/42/950338442.db2.gz MVJDZSCCNQGQAL-GFCCVEGCSA-N -1 1 378.506 1.741 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CSC(C)C ZINC001574160303 950338463 /nfs/dbraw/zinc/33/84/63/950338463.db2.gz MVJDZSCCNQGQAL-GFCCVEGCSA-N -1 1 378.506 1.741 20 0 GDADMM CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C(=O)Nc2c[nH]nc2-c2nn[n-]n2)C1 ZINC001573854312 950343525 /nfs/dbraw/zinc/34/35/25/950343525.db2.gz ZZYGVWQWZGDWBW-QMMMGPOBSA-N -1 1 398.374 1.421 20 0 GDADMM CC1(C(=O)NCCC2(CNc3nccnc3-c3nnn[n-]3)CC2)CC(F)(F)C1 ZINC001575595536 950357781 /nfs/dbraw/zinc/35/77/81/950357781.db2.gz OMBCAYUTBYYHDO-UHFFFAOYSA-N -1 1 392.414 1.791 20 0 GDADMM CC1(C(=O)NCCC2(CNc3nccnc3-c3nn[n-]n3)CC2)CC(F)(F)C1 ZINC001575595536 950357795 /nfs/dbraw/zinc/35/77/95/950357795.db2.gz OMBCAYUTBYYHDO-UHFFFAOYSA-N -1 1 392.414 1.791 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001574502275 950371837 /nfs/dbraw/zinc/37/18/37/950371837.db2.gz LJEZVCNDWAZEQB-HOCLYGCPSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1)C(F)(F)F ZINC001574502657 950383769 /nfs/dbraw/zinc/38/37/69/950383769.db2.gz PDCUVDMRGGGZTR-VHSXEESVSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1)C(F)(F)F ZINC001574502657 950383794 /nfs/dbraw/zinc/38/37/94/950383794.db2.gz PDCUVDMRGGGZTR-VHSXEESVSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@]2(C(=O)Nc3n[nH]cc3-c3nnn[n-]3)CCC[C@H]12 ZINC001573857510 950408964 /nfs/dbraw/zinc/40/89/64/950408964.db2.gz SYVLJVDYQWUZCB-APPDUMDISA-N -1 1 388.432 1.708 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@]2(C(=O)Nc3n[nH]cc3-c3nn[n-]n3)CCC[C@H]12 ZINC001573857510 950408976 /nfs/dbraw/zinc/40/89/76/950408976.db2.gz SYVLJVDYQWUZCB-APPDUMDISA-N -1 1 388.432 1.708 20 0 GDADMM C[C@@H](CC(=O)NCCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C1CC1 ZINC001574503396 950410849 /nfs/dbraw/zinc/41/08/49/950410849.db2.gz VIABJJVQPHHJQP-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](CC(=O)NCCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C1CC1 ZINC001574503396 950410865 /nfs/dbraw/zinc/41/08/65/950410865.db2.gz VIABJJVQPHHJQP-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)NCc1nc(-c2nnn[n-]2)cs1 ZINC001573860306 950417455 /nfs/dbraw/zinc/41/74/55/950417455.db2.gz FKXKRKGOSAQVPQ-IUCAKERBSA-N -1 1 379.446 1.100 20 0 GDADMM CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)NCc1nc(-c2nn[n-]n2)cs1 ZINC001573860306 950417476 /nfs/dbraw/zinc/41/74/76/950417476.db2.gz FKXKRKGOSAQVPQ-IUCAKERBSA-N -1 1 379.446 1.100 20 0 GDADMM CC(C)c1cc(C(=O)N(C)C[C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)n(C)n1 ZINC001574747780 950419184 /nfs/dbraw/zinc/41/91/84/950419184.db2.gz XFNGQSYSQFFTGZ-LLVKDONJSA-N -1 1 384.448 1.086 20 0 GDADMM CC(C)c1cc(C(=O)N(C)C[C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)n(C)n1 ZINC001574747780 950419196 /nfs/dbraw/zinc/41/91/96/950419196.db2.gz XFNGQSYSQFFTGZ-LLVKDONJSA-N -1 1 384.448 1.086 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1csc(=O)[nH]1 ZINC001574163321 950421711 /nfs/dbraw/zinc/42/17/11/950421711.db2.gz RTZHJGVZKPVJTG-SECBINFHSA-N -1 1 389.445 1.075 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1csc(=O)[nH]1 ZINC001574163321 950421725 /nfs/dbraw/zinc/42/17/25/950421725.db2.gz RTZHJGVZKPVJTG-SECBINFHSA-N -1 1 389.445 1.075 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1ccsc1 ZINC001575910737 950428048 /nfs/dbraw/zinc/42/80/48/950428048.db2.gz BHPNVQRZXTWTNP-DGCLKSJQSA-N -1 1 384.469 1.752 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCc1ccsc1 ZINC001575910737 950428063 /nfs/dbraw/zinc/42/80/63/950428063.db2.gz BHPNVQRZXTWTNP-DGCLKSJQSA-N -1 1 384.469 1.752 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)COC(C)(C)C ZINC001574163753 950431717 /nfs/dbraw/zinc/43/17/17/950431717.db2.gz XJMCBPDIJRFFEM-GFCCVEGCSA-N -1 1 376.465 1.415 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)COC(C)(C)C ZINC001574163753 950431732 /nfs/dbraw/zinc/43/17/32/950431732.db2.gz XJMCBPDIJRFFEM-GFCCVEGCSA-N -1 1 376.465 1.415 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc(Cl)cn1C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574750540 950432573 /nfs/dbraw/zinc/43/25/73/950432573.db2.gz CGMTZKXMDMRFRC-VIFPVBQESA-N -1 1 375.824 1.221 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc(Cl)cn1C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574750540 950432589 /nfs/dbraw/zinc/43/25/89/950432589.db2.gz CGMTZKXMDMRFRC-VIFPVBQESA-N -1 1 375.824 1.221 20 0 GDADMM Cc1nc([C@@H]2CCCN(C(=O)C3=NN(c4ccccc4)[C@H](C(=O)[O-])C3)C2)n[nH]1 ZINC000263415866 950448340 /nfs/dbraw/zinc/44/83/40/950448340.db2.gz JXNKTMUGVKGAHI-CJNGLKHVSA-N -1 1 382.424 1.539 20 0 GDADMM C[C@H](CC(=O)NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1)c1ccccc1 ZINC001574507148 950451176 /nfs/dbraw/zinc/45/11/76/950451176.db2.gz DUDORLHZMCZVFR-CQSZACIVSA-N -1 1 392.467 1.936 20 0 GDADMM CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NCc2nc(-c3nnn[n-]3)cs2)C1 ZINC001573862475 950464267 /nfs/dbraw/zinc/46/42/67/950464267.db2.gz RYEKYBSMPRIMRI-KYZUINATSA-N -1 1 379.446 1.243 20 0 GDADMM CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NCc2nc(-c3nn[n-]n3)cs2)C1 ZINC001573862475 950464282 /nfs/dbraw/zinc/46/42/82/950464282.db2.gz RYEKYBSMPRIMRI-KYZUINATSA-N -1 1 379.446 1.243 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc2c(s1)CCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001574751957 950469004 /nfs/dbraw/zinc/46/90/04/950469004.db2.gz SCBQGTIAPVQBGR-SNVBAGLBSA-N -1 1 384.469 1.780 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc2c(s1)CCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001574751957 950469020 /nfs/dbraw/zinc/46/90/20/950469020.db2.gz SCBQGTIAPVQBGR-SNVBAGLBSA-N -1 1 384.469 1.780 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1ccncc1 ZINC001575913152 950477192 /nfs/dbraw/zinc/47/71/92/950477192.db2.gz IVNBLLCKHYNDDZ-OCCSQVGLSA-N -1 1 379.428 1.086 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCc1ccncc1 ZINC001575913152 950477207 /nfs/dbraw/zinc/47/72/07/950477207.db2.gz IVNBLLCKHYNDDZ-OCCSQVGLSA-N -1 1 379.428 1.086 20 0 GDADMM C[C@H](CC(=O)NCCN(C)c1cncc(-c2nnn[n-]2)n1)c1ccccc1F ZINC001574508677 950481148 /nfs/dbraw/zinc/48/11/48/950481148.db2.gz MAMIFFHXISOIGP-GFCCVEGCSA-N -1 1 384.419 1.542 20 0 GDADMM C[C@H](CC(=O)NCCN(C)c1cncc(-c2nn[n-]n2)n1)c1ccccc1F ZINC001574508677 950481166 /nfs/dbraw/zinc/48/11/66/950481166.db2.gz MAMIFFHXISOIGP-GFCCVEGCSA-N -1 1 384.419 1.542 20 0 GDADMM C[C@]1(C(=O)N[C@H]2C[C@@H](Nc3snc(Cl)c3-c3nnn[n-]3)C2)CCOC1 ZINC001575607593 950507810 /nfs/dbraw/zinc/50/78/10/950507810.db2.gz KQLHBQIRTMURRA-GIHMMQTOSA-N -1 1 383.865 1.462 20 0 GDADMM C[C@]1(C(=O)N[C@H]2C[C@@H](Nc3snc(Cl)c3-c3nn[n-]n3)C2)CCOC1 ZINC001575607593 950507828 /nfs/dbraw/zinc/50/78/28/950507828.db2.gz KQLHBQIRTMURRA-GIHMMQTOSA-N -1 1 383.865 1.462 20 0 GDADMM CC(C)(C)OCC(=O)N1CCC[C@@H]2[C@H]1CCN2c1nccnc1-c1nnn[n-]1 ZINC001573866974 950519201 /nfs/dbraw/zinc/51/92/01/950519201.db2.gz OWFWMRRBYNCHTA-CHWSQXEVSA-N -1 1 386.460 1.042 20 0 GDADMM CC(C)(C)OCC(=O)N1CCC[C@@H]2[C@H]1CCN2c1nccnc1-c1nn[n-]n1 ZINC001573866974 950519209 /nfs/dbraw/zinc/51/92/09/950519209.db2.gz OWFWMRRBYNCHTA-CHWSQXEVSA-N -1 1 386.460 1.042 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CC1CC(F)(F)C1 ZINC001575916217 950533933 /nfs/dbraw/zinc/53/39/33/950533933.db2.gz PUUSAOXSHIMHIL-ONGXEEELSA-N -1 1 378.387 1.493 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CC1CC(F)(F)C1 ZINC001575916217 950533956 /nfs/dbraw/zinc/53/39/56/950533956.db2.gz PUUSAOXSHIMHIL-ONGXEEELSA-N -1 1 378.387 1.493 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc(N(C)C)cc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574753801 950545080 /nfs/dbraw/zinc/54/50/80/950545080.db2.gz SPMCJRFZWNDUFH-LBPRGKRZSA-N -1 1 381.444 1.295 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc(N(C)C)cc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574753801 950545097 /nfs/dbraw/zinc/54/50/97/950545097.db2.gz SPMCJRFZWNDUFH-LBPRGKRZSA-N -1 1 381.444 1.295 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1)n1cccc1 ZINC001574510809 950547187 /nfs/dbraw/zinc/54/71/87/950547187.db2.gz ASAUBVRJXHIVDG-RBSFLKMASA-N -1 1 395.471 1.371 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1ccco1 ZINC001574511605 950565045 /nfs/dbraw/zinc/56/50/45/950565045.db2.gz OAUJABFBIYYBSP-JHJVBQTASA-N -1 1 382.428 1.384 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1ccco1 ZINC001574511605 950565065 /nfs/dbraw/zinc/56/50/65/950565065.db2.gz OAUJABFBIYYBSP-JHJVBQTASA-N -1 1 382.428 1.384 20 0 GDADMM CC1(C)C(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nnn[n-]3)cn2)C1(C)C ZINC001575615839 950574837 /nfs/dbraw/zinc/57/48/37/950574837.db2.gz JERZQFKAWNTTEF-MDZLAQPJSA-N -1 1 382.472 1.565 20 0 GDADMM CC1(C)C(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nn[n-]n3)cn2)C1(C)C ZINC001575615839 950574862 /nfs/dbraw/zinc/57/48/62/950574862.db2.gz JERZQFKAWNTTEF-MDZLAQPJSA-N -1 1 382.472 1.565 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)NCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001575616969 950596413 /nfs/dbraw/zinc/59/64/13/950596413.db2.gz WQBRWFBRNGZJSX-UHFFFAOYSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)NCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001575616969 950596427 /nfs/dbraw/zinc/59/64/27/950596427.db2.gz WQBRWFBRNGZJSX-UHFFFAOYSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)CCC(=O)N1C[C@@H]2CCC[C@]2(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574173673 950597551 /nfs/dbraw/zinc/59/75/51/950597551.db2.gz LBVRGURMFNMPCH-LIRRHRJNSA-N -1 1 384.488 1.555 20 0 GDADMM CC1(C)C(C(=O)N2CCC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)C1(C)C ZINC001575619159 950616058 /nfs/dbraw/zinc/61/60/58/950616058.db2.gz MZJZMTIFEYMNJC-GFCCVEGCSA-N -1 1 384.488 1.989 20 0 GDADMM CC1(C)C(C(=O)N2CCC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)C1(C)C ZINC001575619159 950616068 /nfs/dbraw/zinc/61/60/68/950616068.db2.gz MZJZMTIFEYMNJC-GFCCVEGCSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)CCC(=O)N[C@@H]1CC[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@@H]2C1 ZINC001574174074 950620613 /nfs/dbraw/zinc/62/06/13/950620613.db2.gz FKPQWSPZBLUFSN-QLFBSQMISA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)CCC(=O)N[C@@H]1CC[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@H]2C1 ZINC001574174074 950620628 /nfs/dbraw/zinc/62/06/28/950620628.db2.gz FKPQWSPZBLUFSN-QLFBSQMISA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C(C(=O)NC[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1(C)C ZINC001575620419 950629842 /nfs/dbraw/zinc/62/98/42/950629842.db2.gz XSVHPCMQLXOHKN-GFCCVEGCSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cnc(C2CC2)o1 ZINC001575920505 950632217 /nfs/dbraw/zinc/63/22/17/950632217.db2.gz MISZEDZKRRLYPP-GXSJLCMTSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cnc(C2CC2)o1 ZINC001575920505 950632230 /nfs/dbraw/zinc/63/22/30/950632230.db2.gz MISZEDZKRRLYPP-GXSJLCMTSA-N -1 1 381.400 1.237 20 0 GDADMM CC1(C)[C@H](NC(=O)CC2CC2)[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)[C@H]21 ZINC001575622266 950634472 /nfs/dbraw/zinc/63/44/72/950634472.db2.gz AOMJLCFOAMHZDU-JCURWCKSSA-N -1 1 382.472 1.566 20 0 GDADMM CC1(C)[C@H](NC(=O)CC2CC2)[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)[C@H]21 ZINC001575622266 950634483 /nfs/dbraw/zinc/63/44/83/950634483.db2.gz AOMJLCFOAMHZDU-JCURWCKSSA-N -1 1 382.472 1.566 20 0 GDADMM CC1(C)C2CCC1(C(=O)N[C@H]1C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C1)CC2 ZINC001575622784 950642489 /nfs/dbraw/zinc/64/24/89/950642489.db2.gz HBFYLTOOVSOJEQ-SNEKITDRSA-N -1 1 382.472 1.932 20 0 GDADMM CC1(C)C2CCC1(C(=O)N[C@H]1C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C1)CC2 ZINC001575622784 950642506 /nfs/dbraw/zinc/64/25/06/950642506.db2.gz HBFYLTOOVSOJEQ-SNEKITDRSA-N -1 1 382.472 1.932 20 0 GDADMM CC1(C)C=Cc2cccc(NC(=O)NCCn3cnc(-c4nn[n-]n4)n3)c2O1 ZINC001575623352 950647084 /nfs/dbraw/zinc/64/70/84/950647084.db2.gz JXPJNNLKWZASNU-UHFFFAOYSA-N -1 1 381.400 1.464 20 0 GDADMM CC(C)c1ncc(C(=O)N(C)C[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)s1 ZINC001574759838 950648697 /nfs/dbraw/zinc/64/86/97/950648697.db2.gz FZBYMXOUKMEUCZ-JTQLQIEISA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)c1ncc(C(=O)N(C)C[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)s1 ZINC001574759838 950648710 /nfs/dbraw/zinc/64/87/10/950648710.db2.gz FZBYMXOUKMEUCZ-JTQLQIEISA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N(C)C[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574760175 950654317 /nfs/dbraw/zinc/65/43/17/950654317.db2.gz HABQBCPQWWPVAZ-LLVKDONJSA-N -1 1 384.448 1.086 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N(C)C[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574760175 950654325 /nfs/dbraw/zinc/65/43/25/950654325.db2.gz HABQBCPQWWPVAZ-LLVKDONJSA-N -1 1 384.448 1.086 20 0 GDADMM CC1(C)CC(C(=O)N2CCCO[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)C1 ZINC001575624477 950668366 /nfs/dbraw/zinc/66/83/66/950668366.db2.gz JLDYJDRDJSMSOR-ZDUSSCGKSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CC(C(=O)N2CCCO[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)C1 ZINC001575624477 950668378 /nfs/dbraw/zinc/66/83/78/950668378.db2.gz JLDYJDRDJSMSOR-ZDUSSCGKSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H](CN(C)C(=O)c1cccnn1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574760551 950668440 /nfs/dbraw/zinc/66/84/40/950668440.db2.gz WXKROEJOQMDBAY-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CN(C)C(=O)c1cccnn1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574760551 950668451 /nfs/dbraw/zinc/66/84/51/950668451.db2.gz WXKROEJOQMDBAY-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccncc1 ZINC001574519382 950678655 /nfs/dbraw/zinc/67/86/55/950678655.db2.gz UHJJKWNPGBLBIB-UBHSHLNASA-N -1 1 379.428 1.305 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccncc1 ZINC001574519382 950678664 /nfs/dbraw/zinc/67/86/64/950678664.db2.gz UHJJKWNPGBLBIB-UBHSHLNASA-N -1 1 379.428 1.305 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccccc1Cl ZINC001575926276 950706659 /nfs/dbraw/zinc/70/66/59/950706659.db2.gz XFBQPKZJVHUXTN-MFKMUULPSA-N -1 1 384.831 1.447 20 0 GDADMM CC(C)n1nccc1C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)[C@@H]1C ZINC001575926508 950713321 /nfs/dbraw/zinc/71/33/21/950713321.db2.gz XHABDHYFWODEFF-RYUDHWBXSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1nccc1C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)[C@@H]1C ZINC001575926508 950713335 /nfs/dbraw/zinc/71/33/35/950713335.db2.gz XHABDHYFWODEFF-RYUDHWBXSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001573878707 950717266 /nfs/dbraw/zinc/71/72/66/950717266.db2.gz YNWSCBIBVJWZNY-MGPQQGTHSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001573878707 950717275 /nfs/dbraw/zinc/71/72/75/950717275.db2.gz YNWSCBIBVJWZNY-MGPQQGTHSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cccc2c1CCC2 ZINC001575926676 950717193 /nfs/dbraw/zinc/71/71/93/950717193.db2.gz YCDPIULLNXPKBV-WBMJQRKESA-N -1 1 390.451 1.282 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccoc1C1CC1 ZINC001575926648 950719917 /nfs/dbraw/zinc/71/99/17/950719917.db2.gz KVNFBEBOSMWQKM-ZWNOBZJWSA-N -1 1 380.412 1.842 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccoc1C1CC1 ZINC001575926648 950719934 /nfs/dbraw/zinc/71/99/34/950719934.db2.gz KVNFBEBOSMWQKM-ZWNOBZJWSA-N -1 1 380.412 1.842 20 0 GDADMM C[C@H](CNC(=O)c1cc2ccncc2s1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575006594 950726166 /nfs/dbraw/zinc/72/61/66/950726166.db2.gz WDCMSBSCYLRPIR-SECBINFHSA-N -1 1 381.425 1.497 20 0 GDADMM C[C@H](CNC(=O)c1cc2ccncc2s1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575006594 950726182 /nfs/dbraw/zinc/72/61/82/950726182.db2.gz WDCMSBSCYLRPIR-SECBINFHSA-N -1 1 381.425 1.497 20 0 GDADMM C[C@H](CNC(=O)c1ccc(-c2ccccc2)o1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575006966 950728789 /nfs/dbraw/zinc/72/87/89/950728789.db2.gz ZFRNEJLVRMYACE-GFCCVEGCSA-N -1 1 390.407 1.569 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1cncs1 ZINC001575927313 950738760 /nfs/dbraw/zinc/73/87/60/950738760.db2.gz OYXGNZFMFUZDTE-ZYHUDNBSSA-N -1 1 385.457 1.147 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1cncs1 ZINC001575927313 950738781 /nfs/dbraw/zinc/73/87/81/950738781.db2.gz OYXGNZFMFUZDTE-ZYHUDNBSSA-N -1 1 385.457 1.147 20 0 GDADMM CC(C)(C)c1cc(C(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)no1 ZINC001573880209 950739264 /nfs/dbraw/zinc/73/92/64/950739264.db2.gz UGZVXCTUNJSETE-JTQLQIEISA-N -1 1 383.416 1.269 20 0 GDADMM CC(C)(C)c1cc(C(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)no1 ZINC001573880209 950739274 /nfs/dbraw/zinc/73/92/74/950739274.db2.gz UGZVXCTUNJSETE-JTQLQIEISA-N -1 1 383.416 1.269 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cncc2ccccc21)Nc1nccnc1-c1nnn[n-]1 ZINC001574764187 950746432 /nfs/dbraw/zinc/74/64/32/950746432.db2.gz QVZMDDUZFABOGM-LBPRGKRZSA-N -1 1 389.423 1.778 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cncc2ccccc21)Nc1nccnc1-c1nn[n-]n1 ZINC001574764187 950746444 /nfs/dbraw/zinc/74/64/44/950746444.db2.gz QVZMDDUZFABOGM-LBPRGKRZSA-N -1 1 389.423 1.778 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576217397 950758989 /nfs/dbraw/zinc/75/89/89/950758989.db2.gz HLCMMPIJTSNKHS-GHMZBOCLSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576217397 950759004 /nfs/dbraw/zinc/75/90/04/950759004.db2.gz HLCMMPIJTSNKHS-GHMZBOCLSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576217403 950759163 /nfs/dbraw/zinc/75/91/63/950759163.db2.gz HLCMMPIJTSNKHS-WDEREUQCSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576217403 950759173 /nfs/dbraw/zinc/75/91/73/950759173.db2.gz HLCMMPIJTSNKHS-WDEREUQCSA-N -1 1 392.414 1.599 20 0 GDADMM CC(C)CCC(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)C[C@@H]1O ZINC001574184127 950775986 /nfs/dbraw/zinc/77/59/86/950775986.db2.gz FGJZCXIKVZMAFU-BDAKNGLRSA-N -1 1 385.881 1.079 20 0 GDADMM CC(C)CCC(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)C[C@@H]1O ZINC001574184127 950775996 /nfs/dbraw/zinc/77/59/96/950775996.db2.gz FGJZCXIKVZMAFU-BDAKNGLRSA-N -1 1 385.881 1.079 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576218550 950789424 /nfs/dbraw/zinc/78/94/24/950789424.db2.gz MMJATDVDYPJCQN-GHMZBOCLSA-N -1 1 392.414 1.020 20 0 GDADMM CC(C)CCC(=O)N[C@@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)C[C@@H]1O ZINC001574185085 950793586 /nfs/dbraw/zinc/79/35/86/950793586.db2.gz SUNQSVBIKGGRKS-BDAKNGLRSA-N -1 1 385.881 1.079 20 0 GDADMM CC(C)CCC(=O)N[C@@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)C[C@@H]1O ZINC001574185085 950793602 /nfs/dbraw/zinc/79/36/02/950793602.db2.gz SUNQSVBIKGGRKS-BDAKNGLRSA-N -1 1 385.881 1.079 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCc1cncs1 ZINC001575930633 950794646 /nfs/dbraw/zinc/79/46/46/950794646.db2.gz FNDVVQFXGJDKTH-PWSUYJOCSA-N -1 1 385.457 1.147 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1cncs1 ZINC001575930633 950794655 /nfs/dbraw/zinc/79/46/55/950794655.db2.gz FNDVVQFXGJDKTH-PWSUYJOCSA-N -1 1 385.457 1.147 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(C)(F)F)CC2)CC[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576219437 950801806 /nfs/dbraw/zinc/80/18/06/950801806.db2.gz NQALXSVZVXPOAJ-QWRGUYRKSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(C)(F)F)CC2)CC[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576219437 950801833 /nfs/dbraw/zinc/80/18/33/950801833.db2.gz NQALXSVZVXPOAJ-QWRGUYRKSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)CC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576220096 950817844 /nfs/dbraw/zinc/81/78/44/950817844.db2.gz QJJNOTXGBJLECC-GHMZBOCLSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576220096 950817875 /nfs/dbraw/zinc/81/78/75/950817875.db2.gz QJJNOTXGBJLECC-GHMZBOCLSA-N -1 1 392.414 1.741 20 0 GDADMM CC(C)CCCC(=O)N1CCO[C@H]([C@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574187782 950835406 /nfs/dbraw/zinc/83/54/06/950835406.db2.gz QDJKTUMXBDBWJA-KBPBESRZSA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)CCCC(=O)N1CCO[C@H]([C@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574187782 950835424 /nfs/dbraw/zinc/83/54/24/950835424.db2.gz QDJKTUMXBDBWJA-KBPBESRZSA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)CCCC(=O)N1CC[C@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001574187453 950836085 /nfs/dbraw/zinc/83/60/85/950836085.db2.gz PWCQLKJKUMMZGU-IBGZPJMESA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)CCCC(=O)N1CC[C@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001574187453 950836110 /nfs/dbraw/zinc/83/61/10/950836110.db2.gz PWCQLKJKUMMZGU-IBGZPJMESA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)CCCC(=O)N1CC[C@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001574187860 950837753 /nfs/dbraw/zinc/83/77/53/950837753.db2.gz RSFLMNVBPXJQSE-IBGZPJMESA-N -1 1 384.488 1.912 20 0 GDADMM CC1(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)CC(C)(C)C2)CCC1 ZINC001575639061 950856188 /nfs/dbraw/zinc/85/61/88/950856188.db2.gz OHHSRWOLYLFOBO-ZDUSSCGKSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)CC(C)(C)C2)CCC1 ZINC001575639061 950856208 /nfs/dbraw/zinc/85/62/08/950856208.db2.gz OHHSRWOLYLFOBO-ZDUSSCGKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CCCC2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576222064 950863995 /nfs/dbraw/zinc/86/39/95/950863995.db2.gz XGFPMCBQVQOELM-CMPLNLGQSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CCCC2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576222064 950864005 /nfs/dbraw/zinc/86/40/05/950864005.db2.gz XGFPMCBQVQOELM-CMPLNLGQSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C2CC2)CC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576222400 950873546 /nfs/dbraw/zinc/87/35/46/950873546.db2.gz YTMFOCJBQAVKPS-CHWSQXEVSA-N -1 1 384.488 1.411 20 0 GDADMM C[C@H]1[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)CCN1C(=O)c1cnon1 ZINC001575935412 950875850 /nfs/dbraw/zinc/87/58/50/950875850.db2.gz WBXVGLYHOAZDNH-WDSKDSINSA-N -1 1 381.809 1.075 20 0 GDADMM C[C@H]1[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCN1C(=O)c1cnon1 ZINC001575935412 950875872 /nfs/dbraw/zinc/87/58/72/950875872.db2.gz WBXVGLYHOAZDNH-WDSKDSINSA-N -1 1 381.809 1.075 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cc(F)ccc1F ZINC001575935372 950877927 /nfs/dbraw/zinc/87/79/27/950877927.db2.gz VTPSGKHLUFFZOJ-ZANVPECISA-N -1 1 386.366 1.650 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(F)ccc1F ZINC001575935372 950877948 /nfs/dbraw/zinc/87/79/48/950877948.db2.gz VTPSGKHLUFFZOJ-ZANVPECISA-N -1 1 386.366 1.650 20 0 GDADMM CC1(C)C[C@H](NC(=O)[C@@H]2CC23CC3)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575639661 950879359 /nfs/dbraw/zinc/87/93/59/950879359.db2.gz VQNCERFLWJQIMI-OLZOCXBDSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1coc(C(F)F)c1 ZINC001575935846 950896501 /nfs/dbraw/zinc/89/65/01/950896501.db2.gz ZUKOTFQQAFQQCX-SCZZXKLOSA-N -1 1 390.354 1.902 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1coc(C(F)F)c1 ZINC001575935846 950896515 /nfs/dbraw/zinc/89/65/15/950896515.db2.gz ZUKOTFQQAFQQCX-SCZZXKLOSA-N -1 1 390.354 1.902 20 0 GDADMM C[C@@H]1CN(C(=O)C2(F)CCCC2)CC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576227131 950900135 /nfs/dbraw/zinc/90/01/35/950900135.db2.gz CGVVUJGLVIAAJV-CHWSQXEVSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@@H]1CN(C(=O)C2(F)CCCC2)CC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576227131 950900155 /nfs/dbraw/zinc/90/01/55/950900155.db2.gz CGVVUJGLVIAAJV-CHWSQXEVSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@@H]1CN(C(=O)C2(F)CCCCC2)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576227127 950902826 /nfs/dbraw/zinc/90/28/26/950902826.db2.gz CGNFYIUMWZBKIA-CHWSQXEVSA-N -1 1 388.451 1.400 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccnc(C2CC2)n1 ZINC001575936242 950911357 /nfs/dbraw/zinc/91/13/57/950911357.db2.gz DHACIHQRNHVJNL-JQWIXIFHSA-N -1 1 392.427 1.039 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccnc(C2CC2)n1 ZINC001575936242 950911376 /nfs/dbraw/zinc/91/13/76/950911376.db2.gz DHACIHQRNHVJNL-JQWIXIFHSA-N -1 1 392.427 1.039 20 0 GDADMM CC1(C)C[C@@H](NC(=O)c2ccon2)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575641420 950917927 /nfs/dbraw/zinc/91/79/27/950917927.db2.gz PSOHQPAUHGGSTE-NSHDSACASA-N -1 1 383.416 1.070 20 0 GDADMM CC1(C)C[C@@H](NC(=O)c2ccon2)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575641420 950917950 /nfs/dbraw/zinc/91/79/50/950917950.db2.gz PSOHQPAUHGGSTE-NSHDSACASA-N -1 1 383.416 1.070 20 0 GDADMM C[C@@H]1[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCN1C(=O)c1cccnn1 ZINC001575936623 950922741 /nfs/dbraw/zinc/92/27/41/950922741.db2.gz GTKFLFIIBYJYJO-SFYZADRCSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCN1C(=O)c1cccnn1 ZINC001575936623 950922772 /nfs/dbraw/zinc/92/27/72/950922772.db2.gz GTKFLFIIBYJYJO-SFYZADRCSA-N -1 1 391.848 1.482 20 0 GDADMM CC(C)(C)n1cc(CNc2nc(Cl)c(-c3nnn[n-]3)s2)c(=O)[nH]c1=O ZINC001573894182 950923876 /nfs/dbraw/zinc/92/38/76/950923876.db2.gz QFXKXUBLHIOEIF-UHFFFAOYSA-N -1 1 382.837 1.606 20 0 GDADMM CC(C)(C)n1cc(CNc2nc(Cl)c(-c3nn[n-]n3)s2)c(=O)[nH]c1=O ZINC001573894182 950923896 /nfs/dbraw/zinc/92/38/96/950923896.db2.gz QFXKXUBLHIOEIF-UHFFFAOYSA-N -1 1 382.837 1.606 20 0 GDADMM C[C@H]1CN(C(=O)C2Cc3ccccc3C2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576228076 950928309 /nfs/dbraw/zinc/92/83/09/950928309.db2.gz IQMFTDPLZWNJKQ-YVEFUNNKSA-N -1 1 390.451 1.331 20 0 GDADMM C[C@H]1CN(C(=O)C2Cc3ccccc3C2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576228076 950928326 /nfs/dbraw/zinc/92/83/26/950928326.db2.gz IQMFTDPLZWNJKQ-YVEFUNNKSA-N -1 1 390.451 1.331 20 0 GDADMM C[C@H]1CN(C(=O)C2CCC3(CC3)CC2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576228104 950930695 /nfs/dbraw/zinc/93/06/95/950930695.db2.gz IZEJDCFHLFHYFA-JSGCOSHPSA-N -1 1 382.472 1.308 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)CC(F)F ZINC001573896227 950945565 /nfs/dbraw/zinc/94/55/65/950945565.db2.gz GWLJNYJNEORAQE-SNVBAGLBSA-N -1 1 380.403 1.423 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)CC(F)F ZINC001573896227 950945581 /nfs/dbraw/zinc/94/55/81/950945581.db2.gz GWLJNYJNEORAQE-SNVBAGLBSA-N -1 1 380.403 1.423 20 0 GDADMM CCOC(=O)CCCCC[N@H+]1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001590414039 950951480 /nfs/dbraw/zinc/95/14/80/950951480.db2.gz PSLAXWUVICQVLL-DGCLKSJQSA-N -1 1 382.379 1.706 20 0 GDADMM CC(C)(CC(=O)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)C1CC1 ZINC001573897215 950954877 /nfs/dbraw/zinc/95/48/77/950954877.db2.gz MLSBRWFCEMQWQW-SWLSCSKDSA-N -1 1 382.472 1.520 20 0 GDADMM CC(C)(CC(=O)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)C1CC1 ZINC001573897215 950954889 /nfs/dbraw/zinc/95/48/89/950954889.db2.gz MLSBRWFCEMQWQW-SWLSCSKDSA-N -1 1 382.472 1.520 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc(C2CC2)no1 ZINC001575938466 950981088 /nfs/dbraw/zinc/98/10/88/950981088.db2.gz NVSSNVMAGYEDMZ-KOLCDFICSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc(C2CC2)no1 ZINC001575938466 950981101 /nfs/dbraw/zinc/98/11/01/950981101.db2.gz NVSSNVMAGYEDMZ-KOLCDFICSA-N -1 1 381.400 1.237 20 0 GDADMM CC(C)(CC(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001573899567 950983063 /nfs/dbraw/zinc/98/30/63/950983063.db2.gz FLPBEYJNCUBCLT-KYZUINATSA-N -1 1 384.366 1.694 20 0 GDADMM CC(C)(CC(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001573899567 950983083 /nfs/dbraw/zinc/98/30/83/950983083.db2.gz FLPBEYJNCUBCLT-KYZUINATSA-N -1 1 384.366 1.694 20 0 GDADMM CC(C)(CC(=O)NCC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1CC1 ZINC001573899562 950984367 /nfs/dbraw/zinc/98/43/67/950984367.db2.gz FGDGKTMKMXPCII-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(CC(=O)NCC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1CC1 ZINC001573899562 950984381 /nfs/dbraw/zinc/98/43/81/950984381.db2.gz FGDGKTMKMXPCII-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573899998 950994549 /nfs/dbraw/zinc/99/45/49/950994549.db2.gz OJGDQJCEQHOOAK-KYZUINATSA-N -1 1 384.366 1.694 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573899998 950994563 /nfs/dbraw/zinc/99/45/63/950994563.db2.gz OJGDQJCEQHOOAK-KYZUINATSA-N -1 1 384.366 1.694 20 0 GDADMM CC(C)(C)OC(=O)NC(C)(C)CC(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001573899968 950995539 /nfs/dbraw/zinc/99/55/39/950995539.db2.gz MNNKAIRFDUBALS-UHFFFAOYSA-N -1 1 375.433 1.571 20 0 GDADMM CC(C)(C)OC(=O)NC(C)(C)CC(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001573899968 950995553 /nfs/dbraw/zinc/99/55/53/950995553.db2.gz MNNKAIRFDUBALS-UHFFFAOYSA-N -1 1 375.433 1.571 20 0 GDADMM C[C@H]1CN(C(=O)C2C(C)(C)C2(C)C)CC[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576230316 950997926 /nfs/dbraw/zinc/99/79/26/950997926.db2.gz AWWXSBINXQHYHK-RYUDHWBXSA-N -1 1 384.488 1.988 20 0 GDADMM C[C@H]1CN(C(=O)C2C(C)(C)C2(C)C)CC[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576230316 950997939 /nfs/dbraw/zinc/99/79/39/950997939.db2.gz AWWXSBINXQHYHK-RYUDHWBXSA-N -1 1 384.488 1.988 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573900240 951001802 /nfs/dbraw/zinc/00/18/02/951001802.db2.gz WTKMSNXPMRIFHQ-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573900240 951001823 /nfs/dbraw/zinc/00/18/23/951001823.db2.gz WTKMSNXPMRIFHQ-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C2CC2)cn1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575022116 951070978 /nfs/dbraw/zinc/07/09/78/951070978.db2.gz HNNKDGUATOMULL-NSHDSACASA-N -1 1 379.428 1.184 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C2CC2)cn1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575022116 951070992 /nfs/dbraw/zinc/07/09/92/951070992.db2.gz HNNKDGUATOMULL-NSHDSACASA-N -1 1 379.428 1.184 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C2CC2)cc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575023888 951085564 /nfs/dbraw/zinc/08/55/64/951085564.db2.gz RMXXRMYYLSWKIS-GFCCVEGCSA-N -1 1 378.440 1.789 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C2CC2)cc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575023888 951085579 /nfs/dbraw/zinc/08/55/79/951085579.db2.gz RMXXRMYYLSWKIS-GFCCVEGCSA-N -1 1 378.440 1.789 20 0 GDADMM CC(C)Oc1ccc(C(=O)NC[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001575024397 951102342 /nfs/dbraw/zinc/10/23/42/951102342.db2.gz CZJGMCFEIDHNJX-GFCCVEGCSA-N -1 1 382.428 1.674 20 0 GDADMM CC(C)Oc1ccc(C(=O)NC[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001575024397 951102352 /nfs/dbraw/zinc/10/23/52/951102352.db2.gz CZJGMCFEIDHNJX-GFCCVEGCSA-N -1 1 382.428 1.674 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCC=C2)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575024539 951106113 /nfs/dbraw/zinc/10/61/13/951106113.db2.gz GUYDKRLMBQSCKZ-CYBMUJFWSA-N -1 1 390.451 1.871 20 0 GDADMM C[C@H](CNC(=O)c1ccc(N(C)C)c(F)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575024834 951118722 /nfs/dbraw/zinc/11/87/22/951118722.db2.gz NMROOEXFNAAVNC-SNVBAGLBSA-N -1 1 385.407 1.092 20 0 GDADMM C[C@H](CNC(=O)c1ccc(N(C)C)c(F)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575024834 951118728 /nfs/dbraw/zinc/11/87/28/951118728.db2.gz NMROOEXFNAAVNC-SNVBAGLBSA-N -1 1 385.407 1.092 20 0 GDADMM C[C@H](CNC(=O)c1ccc2ccncc2c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575025814 951132978 /nfs/dbraw/zinc/13/29/78/951132978.db2.gz BEUKOGHPSQNMCP-LLVKDONJSA-N -1 1 375.396 1.435 20 0 GDADMM C[C@H](CNC(=O)c1ccc2ccncc2c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575025814 951132986 /nfs/dbraw/zinc/13/29/86/951132986.db2.gz BEUKOGHPSQNMCP-LLVKDONJSA-N -1 1 375.396 1.435 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(C2CC2)c1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575025924 951136245 /nfs/dbraw/zinc/13/62/45/951136245.db2.gz CUJVNWBESKJDIL-LBPRGKRZSA-N -1 1 378.440 1.789 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(C2CC2)c1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575025924 951136250 /nfs/dbraw/zinc/13/62/50/951136250.db2.gz CUJVNWBESKJDIL-LBPRGKRZSA-N -1 1 378.440 1.789 20 0 GDADMM C[C@H](CNC(=O)c1cccc(Cl)c1F)CNc1nccnc1-c1nnn[n-]1 ZINC001575026876 951148910 /nfs/dbraw/zinc/14/89/10/951148910.db2.gz NFKNIRKKRUEPCI-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@H](CNC(=O)c1cccc(Cl)c1F)CNc1nccnc1-c1nn[n-]n1 ZINC001575026876 951148920 /nfs/dbraw/zinc/14/89/20/951148920.db2.gz NFKNIRKKRUEPCI-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2c1CCC2)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575027283 951155566 /nfs/dbraw/zinc/15/55/66/951155566.db2.gz DQTCXOUZFKRGLR-GFCCVEGCSA-N -1 1 378.440 1.623 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2c1CCC2)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575027283 951155573 /nfs/dbraw/zinc/15/55/73/951155573.db2.gz DQTCXOUZFKRGLR-GFCCVEGCSA-N -1 1 378.440 1.623 20 0 GDADMM C[C@@H](CNC(=O)c1ccccc1O)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575028252 951171959 /nfs/dbraw/zinc/17/19/59/951171959.db2.gz MWQNSKGLPYPMCW-ZETCQYMHSA-N -1 1 379.833 1.913 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2c1O[C@H](C)C2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575030045 951191598 /nfs/dbraw/zinc/19/15/98/951191598.db2.gz ZINXQMPJNLRSCC-WDEREUQCSA-N -1 1 380.412 1.211 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2c1O[C@H](C)C2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575030045 951191608 /nfs/dbraw/zinc/19/16/08/951191608.db2.gz ZINXQMPJNLRSCC-WDEREUQCSA-N -1 1 380.412 1.211 20 0 GDADMM CC(C)Oc1cccc(C(=O)NC[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001575030003 951192464 /nfs/dbraw/zinc/19/24/64/951192464.db2.gz ZBXLUEKXNYSRQP-NSHDSACASA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1cccc(C(=O)NC[C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001575030003 951192472 /nfs/dbraw/zinc/19/24/72/951192472.db2.gz ZBXLUEKXNYSRQP-NSHDSACASA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1ncccc1C(=O)NC[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575031552 951195838 /nfs/dbraw/zinc/19/58/38/951195838.db2.gz CTIMSLDLLJOJKI-LLVKDONJSA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1ncccc1C(=O)NC[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575031552 951195843 /nfs/dbraw/zinc/19/58/43/951195843.db2.gz CTIMSLDLLJOJKI-LLVKDONJSA-N -1 1 383.416 1.069 20 0 GDADMM C[C@@H](CNC(=O)c1cccnc1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575031519 951195942 /nfs/dbraw/zinc/19/59/42/951195942.db2.gz CAOUFWXBJMFUFT-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@@H](CNC(=O)c1cccnc1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575031519 951195948 /nfs/dbraw/zinc/19/59/48/951195948.db2.gz CAOUFWXBJMFUFT-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@@H](CNC(=O)c1cccnc1C1CC1)CNc1nccnc1-c1nnn[n-]1 ZINC001575031636 951198378 /nfs/dbraw/zinc/19/83/78/951198378.db2.gz FUZJQENKQXDNOY-LLVKDONJSA-N -1 1 379.428 1.407 20 0 GDADMM C[C@@H](CNC(=O)c1cccnc1C1CC1)CNc1nccnc1-c1nn[n-]n1 ZINC001575031636 951198387 /nfs/dbraw/zinc/19/83/87/951198387.db2.gz FUZJQENKQXDNOY-LLVKDONJSA-N -1 1 379.428 1.407 20 0 GDADMM C[C@H](CNC(=O)c1cccnc1C1CC1)CNc1nccnc1-c1nnn[n-]1 ZINC001575031637 951199333 /nfs/dbraw/zinc/19/93/33/951199333.db2.gz FUZJQENKQXDNOY-NSHDSACASA-N -1 1 379.428 1.407 20 0 GDADMM C[C@H](CNC(=O)c1cccnc1C1CC1)CNc1nccnc1-c1nn[n-]n1 ZINC001575031637 951199340 /nfs/dbraw/zinc/19/93/40/951199340.db2.gz FUZJQENKQXDNOY-NSHDSACASA-N -1 1 379.428 1.407 20 0 GDADMM C[C@@H](CNC(=O)c1cccnc1C(F)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575031671 951202037 /nfs/dbraw/zinc/20/20/37/951202037.db2.gz GMYKYOGGBDZRMB-QMMMGPOBSA-N -1 1 375.343 1.220 20 0 GDADMM C[C@@H](CNC(=O)c1cccnc1C(F)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575031671 951202048 /nfs/dbraw/zinc/20/20/48/951202048.db2.gz GMYKYOGGBDZRMB-QMMMGPOBSA-N -1 1 375.343 1.220 20 0 GDADMM C[C@H](CNC(=O)c1ccns1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575034857 951258392 /nfs/dbraw/zinc/25/83/92/951258392.db2.gz PKWPADNGMNYOSM-ZCFIWIBFSA-N -1 1 384.878 1.911 20 0 GDADMM C[C@H](CNC(=O)c1ccns1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575034857 951258403 /nfs/dbraw/zinc/25/84/03/951258403.db2.gz PKWPADNGMNYOSM-ZCFIWIBFSA-N -1 1 384.878 1.911 20 0 GDADMM CCOc1ccccc1-c1cc(C(=O)N2CCO[C@@](COC)(C(=O)[O-])C2)n[nH]1 ZINC001592993361 951381688 /nfs/dbraw/zinc/38/16/88/951381688.db2.gz KWQWQMXPDUEXLZ-IBGZPJMESA-N -1 1 389.408 1.418 20 0 GDADMM CCOc1ncccc1C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001593122786 951406734 /nfs/dbraw/zinc/40/67/34/951406734.db2.gz HDYMXURUEPRCJA-WDEREUQCSA-N -1 1 389.330 1.217 20 0 GDADMM C[C@@H](CNC(=O)c1cnn(C(C)(C)C)c1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575051921 951457452 /nfs/dbraw/zinc/45/74/52/951457452.db2.gz AXEOMIKRDNYUKX-LLVKDONJSA-N -1 1 384.448 1.086 20 0 GDADMM C[C@@H](CNC(=O)c1cnn(C(C)(C)C)c1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575051921 951457460 /nfs/dbraw/zinc/45/74/60/951457460.db2.gz AXEOMIKRDNYUKX-LLVKDONJSA-N -1 1 384.448 1.086 20 0 GDADMM C[C@@H](CNC(=O)c1cnn(C)c1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575052089 951458425 /nfs/dbraw/zinc/45/84/25/951458425.db2.gz CWWKJOHSTNLADV-ZETCQYMHSA-N -1 1 381.853 1.188 20 0 GDADMM C[C@@H](CNC(=O)c1cnn(C)c1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575052089 951458434 /nfs/dbraw/zinc/45/84/34/951458434.db2.gz CWWKJOHSTNLADV-ZETCQYMHSA-N -1 1 381.853 1.188 20 0 GDADMM C[C@@H](CNC(=O)c1cnns1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001575053260 951476449 /nfs/dbraw/zinc/47/64/49/951476449.db2.gz AQQAIEBWNUVFQM-YFKPBYRVSA-N -1 1 385.866 1.083 20 0 GDADMM C[C@@H](CNC(=O)c1cnns1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001575053260 951476459 /nfs/dbraw/zinc/47/64/59/951476459.db2.gz AQQAIEBWNUVFQM-YFKPBYRVSA-N -1 1 385.866 1.083 20 0 GDADMM C[C@H](CNC(=O)c1coc(C(C)(C)C)n1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575057441 951527427 /nfs/dbraw/zinc/52/74/27/951527427.db2.gz PIBYYAIUMYPSEV-SNVBAGLBSA-N -1 1 385.432 1.197 20 0 GDADMM C[C@H](CNC(=O)c1coc(C(C)(C)C)n1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575057441 951527436 /nfs/dbraw/zinc/52/74/36/951527436.db2.gz PIBYYAIUMYPSEV-SNVBAGLBSA-N -1 1 385.432 1.197 20 0 GDADMM C[C@H](CNC(=O)c1ncsc1C1CC1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575065329 951583379 /nfs/dbraw/zinc/58/33/79/951583379.db2.gz GDXMTLFGQHFQKY-SECBINFHSA-N -1 1 385.457 1.245 20 0 GDADMM C[C@H](CNC(=O)c1ncsc1C1CC1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575065329 951583384 /nfs/dbraw/zinc/58/33/84/951583384.db2.gz GDXMTLFGQHFQKY-SECBINFHSA-N -1 1 385.457 1.245 20 0 GDADMM C[C@H](CNC(=O)c1ncccn1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575065961 951588619 /nfs/dbraw/zinc/58/86/19/951588619.db2.gz CSYWWDDCRCPHEO-SSDOTTSWSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@H](CNC(=O)c1ncccn1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575065961 951588625 /nfs/dbraw/zinc/58/86/25/951588625.db2.gz CSYWWDDCRCPHEO-SSDOTTSWSA-N -1 1 379.837 1.021 20 0 GDADMM CC(C)c1scnc1C(=O)NC[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575067312 951609637 /nfs/dbraw/zinc/60/96/37/951609637.db2.gz RCZRQTNAHFGUNH-JTQLQIEISA-N -1 1 387.473 1.137 20 0 GDADMM C[C@@H](CNC(=O)c1scnc1C(C)(C)C)Nc1nccnc1-c1nnn[n-]1 ZINC001575069287 951641796 /nfs/dbraw/zinc/64/17/96/951641796.db2.gz HRMZYGXPMZTXTF-VIFPVBQESA-N -1 1 387.473 1.641 20 0 GDADMM C[C@@H](CNC(=O)c1scnc1C(C)(C)C)Nc1nccnc1-c1nn[n-]n1 ZINC001575069287 951641803 /nfs/dbraw/zinc/64/18/03/951641803.db2.gz HRMZYGXPMZTXTF-VIFPVBQESA-N -1 1 387.473 1.641 20 0 GDADMM C[C@H](CNC(=O)c1scnc1C1CC1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575069381 951643392 /nfs/dbraw/zinc/64/33/92/951643392.db2.gz IHJKSUOHPFELPJ-SECBINFHSA-N -1 1 385.457 1.245 20 0 GDADMM C[C@H](CNC(=O)c1scnc1C1CC1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575069381 951643398 /nfs/dbraw/zinc/64/33/98/951643398.db2.gz IHJKSUOHPFELPJ-SECBINFHSA-N -1 1 385.457 1.245 20 0 GDADMM C[C@H](CNC(=O)c1scnc1C(F)F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575069438 951643619 /nfs/dbraw/zinc/64/36/19/951643619.db2.gz IVRRXMWBCWNBBQ-ZCFIWIBFSA-N -1 1 381.372 1.281 20 0 GDADMM C[C@H](CNC(=O)c1scnc1C(F)F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575069438 951643623 /nfs/dbraw/zinc/64/36/23/951643623.db2.gz IVRRXMWBCWNBBQ-ZCFIWIBFSA-N -1 1 381.372 1.281 20 0 GDADMM C[C@@H](CNC(=O)c1sccc1Cl)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575070567 951652338 /nfs/dbraw/zinc/65/23/38/951652338.db2.gz RMMIONCRNRUFLD-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM O=C([O-])Cc1cccc(NC(=O)CNS(=O)(=O)c2c(F)cccc2F)c1 ZINC001595130192 952029311 /nfs/dbraw/zinc/02/93/11/952029311.db2.gz QTFZUVIPEVXLFI-UHFFFAOYSA-N -1 1 384.360 1.509 20 0 GDADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)C1CCC=CCC1)C1CC1 ZINC001575133872 952108040 /nfs/dbraw/zinc/10/80/40/952108040.db2.gz GXVQLFGOACUICM-LJQANCHMSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ccc(Cl)s1 ZINC001575134734 952112525 /nfs/dbraw/zinc/11/25/25/952112525.db2.gz OUBJYZQBTAVKDC-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ccc(Cl)s1 ZINC001575134734 952112528 /nfs/dbraw/zinc/11/25/28/952112528.db2.gz OUBJYZQBTAVKDC-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1coc(CC2CC2)n1 ZINC001575135692 952118807 /nfs/dbraw/zinc/11/88/07/952118807.db2.gz MXKORKBTEXDJAK-JTQLQIEISA-N -1 1 383.416 1.170 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1coc(CC2CC2)n1 ZINC001575135692 952118813 /nfs/dbraw/zinc/11/88/13/952118813.db2.gz MXKORKBTEXDJAK-JTQLQIEISA-N -1 1 383.416 1.170 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)CCc1ccccc1F ZINC001575135885 952122165 /nfs/dbraw/zinc/12/21/65/952122165.db2.gz SUCMGXLZUDDNKW-GFCCVEGCSA-N -1 1 384.419 1.687 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)CCc1ccccc1F ZINC001575135885 952122170 /nfs/dbraw/zinc/12/21/70/952122170.db2.gz SUCMGXLZUDDNKW-GFCCVEGCSA-N -1 1 384.419 1.687 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ccnc(C2CC2)c1 ZINC001575136899 952130920 /nfs/dbraw/zinc/13/09/20/952130920.db2.gz REZNRIBLXTUWGL-LLVKDONJSA-N -1 1 379.428 1.502 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ccnc(C2CC2)c1 ZINC001575136899 952130923 /nfs/dbraw/zinc/13/09/23/952130923.db2.gz REZNRIBLXTUWGL-LLVKDONJSA-N -1 1 379.428 1.502 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)CCCc1cccs1 ZINC001575142788 952147988 /nfs/dbraw/zinc/14/79/88/952147988.db2.gz LTZPEILWGYUYFE-LBPRGKRZSA-N -1 1 386.485 1.422 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)Cc1cccc(Cl)c1 ZINC001575153367 952208671 /nfs/dbraw/zinc/20/86/71/952208671.db2.gz GSEIDBSYVZWTSM-NSHDSACASA-N -1 1 386.847 1.812 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)Cc1cccc(Cl)c1 ZINC001575153367 952208676 /nfs/dbraw/zinc/20/86/76/952208676.db2.gz GSEIDBSYVZWTSM-NSHDSACASA-N -1 1 386.847 1.812 20 0 GDADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)c1ccncc1F)C1CC1 ZINC001575153737 952213765 /nfs/dbraw/zinc/21/37/65/952213765.db2.gz KHVNYLJWASKQNY-KRWDZBQOSA-N -1 1 383.391 1.201 20 0 GDADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)c1ccncc1F)C1CC1 ZINC001575153737 952213770 /nfs/dbraw/zinc/21/37/70/952213770.db2.gz KHVNYLJWASKQNY-KRWDZBQOSA-N -1 1 383.391 1.201 20 0 GDADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)[C@@H]1C[C@H]1C1CCC1)C1CC1 ZINC001575154326 952219920 /nfs/dbraw/zinc/21/99/20/952219920.db2.gz BHQMPBGZWHYNAM-KSMMKXTCSA-N -1 1 382.472 1.790 20 0 GDADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)[C@@H]1C[C@H]1C1CCC1)C1CC1 ZINC001575154326 952219928 /nfs/dbraw/zinc/21/99/28/952219928.db2.gz BHQMPBGZWHYNAM-KSMMKXTCSA-N -1 1 382.472 1.790 20 0 GDADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)c1ccc(F)s1)C1CC1 ZINC001575154965 952233093 /nfs/dbraw/zinc/23/30/93/952233093.db2.gz IYQMHZMRLOHGKZ-INIZCTEOSA-N -1 1 388.432 1.868 20 0 GDADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)c1ccc(F)s1)C1CC1 ZINC001575154965 952233101 /nfs/dbraw/zinc/23/31/01/952233101.db2.gz IYQMHZMRLOHGKZ-INIZCTEOSA-N -1 1 388.432 1.868 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)C(C)(C)[C@@H]1CCCCO1 ZINC001575155036 952233642 /nfs/dbraw/zinc/23/36/42/952233642.db2.gz JPDWTYCEZULIFZ-JSGCOSHPSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)C(C)(C)[C@@H]1CCCCO1 ZINC001575155036 952233648 /nfs/dbraw/zinc/23/36/48/952233648.db2.gz JPDWTYCEZULIFZ-JSGCOSHPSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)c1sccc1F)C1CC1 ZINC001575155330 952236847 /nfs/dbraw/zinc/23/68/47/952236847.db2.gz KZTYASGHUWKQEE-MRXNPFEDSA-N -1 1 388.432 1.868 20 0 GDADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)c1sccc1F)C1CC1 ZINC001575155330 952236854 /nfs/dbraw/zinc/23/68/54/952236854.db2.gz KZTYASGHUWKQEE-MRXNPFEDSA-N -1 1 388.432 1.868 20 0 GDADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)c1ccc(F)cn1)C1CC1 ZINC001575155545 952241539 /nfs/dbraw/zinc/24/15/39/952241539.db2.gz MWSGZXJOYXCABV-KRWDZBQOSA-N -1 1 383.391 1.201 20 0 GDADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)c1ccc(F)cn1)C1CC1 ZINC001575155545 952241545 /nfs/dbraw/zinc/24/15/45/952241545.db2.gz MWSGZXJOYXCABV-KRWDZBQOSA-N -1 1 383.391 1.201 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CCOc1ccccc1 ZINC001575155950 952246602 /nfs/dbraw/zinc/24/66/02/952246602.db2.gz BAEJEXOUBQQLAN-ZDUSSCGKSA-N -1 1 382.428 1.385 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CCOc1ccccc1 ZINC001575155950 952246608 /nfs/dbraw/zinc/24/66/08/952246608.db2.gz BAEJEXOUBQQLAN-ZDUSSCGKSA-N -1 1 382.428 1.385 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1c[nH]nc1C(C)(C)C ZINC001575156033 952247795 /nfs/dbraw/zinc/24/77/95/952247795.db2.gz BPUQFWFJRDFFHE-SNVBAGLBSA-N -1 1 384.448 1.250 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1c[nH]nc1C(C)(C)C ZINC001575156033 952247796 /nfs/dbraw/zinc/24/77/96/952247796.db2.gz BPUQFWFJRDFFHE-SNVBAGLBSA-N -1 1 384.448 1.250 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H]1CCCCC1(F)F ZINC001575156320 952252272 /nfs/dbraw/zinc/25/22/72/952252272.db2.gz DPHUWHOLQIMMSW-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCCCC1(F)F ZINC001575156320 952252277 /nfs/dbraw/zinc/25/22/77/952252277.db2.gz DPHUWHOLQIMMSW-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001575156633 952255316 /nfs/dbraw/zinc/25/53/16/952255316.db2.gz HARHAHAVZITIDC-QMTHXVAHSA-N -1 1 382.403 1.395 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001575156633 952255322 /nfs/dbraw/zinc/25/53/22/952255322.db2.gz HARHAHAVZITIDC-QMTHXVAHSA-N -1 1 382.403 1.395 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1ncsc1C1CC1 ZINC001575158040 952269974 /nfs/dbraw/zinc/26/99/74/952269974.db2.gz RKFRWPJSCIVWSO-SECBINFHSA-N -1 1 385.457 1.563 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1ncsc1C1CC1 ZINC001575158040 952269986 /nfs/dbraw/zinc/26/99/86/952269986.db2.gz RKFRWPJSCIVWSO-SECBINFHSA-N -1 1 385.457 1.563 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)C1CCOCC1 ZINC001575165132 952304886 /nfs/dbraw/zinc/30/48/86/952304886.db2.gz LSIDXXBTHCNPNI-MRVPVSSYSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)C1CCOCC1 ZINC001575165132 952304892 /nfs/dbraw/zinc/30/48/92/952304892.db2.gz LSIDXXBTHCNPNI-MRVPVSSYSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)[C@H]1CCCOC1 ZINC001575166300 952324520 /nfs/dbraw/zinc/32/45/20/952324520.db2.gz VCAZTEFFDXGXCY-BDAKNGLRSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@H](CNc1ncc(-c2nn[nH]n2)cc1Cl)N(C)C(=O)c1ncccc1[O-] ZINC001575166722 952327993 /nfs/dbraw/zinc/32/79/93/952327993.db2.gz XSTFKHWIZFYVPU-SECBINFHSA-N -1 1 388.819 1.588 20 0 GDADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)c1cnccn1 ZINC001575166704 952328143 /nfs/dbraw/zinc/32/81/43/952328143.db2.gz XNKCDROWYWALNM-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)c1cnns1 ZINC001575174610 952376674 /nfs/dbraw/zinc/37/66/74/952376674.db2.gz AJSDJUNSPWNDRW-RXMQYKEDSA-N -1 1 385.866 1.401 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)c1cnns1 ZINC001575174610 952376679 /nfs/dbraw/zinc/37/66/79/952376679.db2.gz AJSDJUNSPWNDRW-RXMQYKEDSA-N -1 1 385.866 1.401 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)CN(C)c1ccccc1 ZINC001575174783 952380212 /nfs/dbraw/zinc/38/02/12/952380212.db2.gz SSVKMIBLYSBOPP-ZDUSSCGKSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)CN(C)c1ccccc1 ZINC001575174783 952380219 /nfs/dbraw/zinc/38/02/19/952380219.db2.gz SSVKMIBLYSBOPP-ZDUSSCGKSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)c1cncn1C ZINC001575177588 952401376 /nfs/dbraw/zinc/40/13/76/952401376.db2.gz IJRFPUJKOVNPEO-ZETCQYMHSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)c1cncn1C ZINC001575177588 952401378 /nfs/dbraw/zinc/40/13/78/952401378.db2.gz IJRFPUJKOVNPEO-ZETCQYMHSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001575178800 952409227 /nfs/dbraw/zinc/40/92/27/952409227.db2.gz NKAAOAZWNQPLEI-KGYLQXTDSA-N -1 1 384.469 1.781 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001575178800 952409230 /nfs/dbraw/zinc/40/92/30/952409230.db2.gz NKAAOAZWNQPLEI-KGYLQXTDSA-N -1 1 384.469 1.781 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)c1cccnc1 ZINC001575180117 952415612 /nfs/dbraw/zinc/41/56/12/952415612.db2.gz RQZOMAAPFDUFQK-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)c1cccnc1 ZINC001575180117 952415613 /nfs/dbraw/zinc/41/56/13/952415613.db2.gz RQZOMAAPFDUFQK-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CS(=O)(=O)N1CCN(c2ccsc2-c2nn[n-]n2)CC1)C1CC1 ZINC001575186057 952436660 /nfs/dbraw/zinc/43/66/60/952436660.db2.gz YHWKLAXLRKBPKZ-LLVKDONJSA-N -1 1 382.515 1.426 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001575187658 952443598 /nfs/dbraw/zinc/44/35/98/952443598.db2.gz DNVKDUHKGRNRMD-STQMWFEESA-N -1 1 382.428 1.389 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001575187658 952443602 /nfs/dbraw/zinc/44/36/02/952443602.db2.gz DNVKDUHKGRNRMD-STQMWFEESA-N -1 1 382.428 1.389 20 0 GDADMM CC(C)(C)OC(=O)N1CC(OC(=O)NCc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001571114486 952456478 /nfs/dbraw/zinc/45/64/78/952456478.db2.gz IVFVEFAPDLRSKQ-UHFFFAOYSA-N -1 1 375.389 1.107 20 0 GDADMM CC(C)(C)OC(=O)N1CC(OC(=O)NCc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001571114486 952456483 /nfs/dbraw/zinc/45/64/83/952456483.db2.gz IVFVEFAPDLRSKQ-UHFFFAOYSA-N -1 1 375.389 1.107 20 0 GDADMM C[C@@H](Cc1cccc(F)c1)C(=O)NCCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575191737 952468864 /nfs/dbraw/zinc/46/88/64/952468864.db2.gz YMQCONPIZFVFBE-LBPRGKRZSA-N -1 1 384.419 1.227 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@@H](Nc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001575195376 952471908 /nfs/dbraw/zinc/47/19/08/952471908.db2.gz AOUITRLONNXECR-BXUZGUMPSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@@H](Nc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001575195376 952471913 /nfs/dbraw/zinc/47/19/13/952471913.db2.gz AOUITRLONNXECR-BXUZGUMPSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NCC1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575195866 952473137 /nfs/dbraw/zinc/47/31/37/952473137.db2.gz CKEVQGDCCPXCLE-HIFPTAJRSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NCC1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575195866 952473146 /nfs/dbraw/zinc/47/31/46/952473146.db2.gz CKEVQGDCCPXCLE-HIFPTAJRSA-N -1 1 382.428 1.435 20 0 GDADMM CC(C)[C@@H](CNC(=O)[C@H](C)Cc1ccco1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575196923 952478032 /nfs/dbraw/zinc/47/80/32/952478032.db2.gz LDSQNMFNWIDNMD-IUODEOHRSA-N -1 1 384.444 1.681 20 0 GDADMM CC(C)[C@@H](CNC(=O)[C@H](C)Cc1ccco1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575196923 952478036 /nfs/dbraw/zinc/47/80/36/952478036.db2.gz LDSQNMFNWIDNMD-IUODEOHRSA-N -1 1 384.444 1.681 20 0 GDADMM Cc1nsc(N[C@H]2CCC[C@H](NC(=O)c3cnon3)C2)c1-c1nn[n-]n1 ZINC001571117705 952482823 /nfs/dbraw/zinc/48/28/23/952482823.db2.gz ONAYRZYYOXOPJO-IUCAKERBSA-N -1 1 375.418 1.168 20 0 GDADMM Cc1ccc(C)c(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)c1 ZINC001571120445 952503244 /nfs/dbraw/zinc/50/32/44/952503244.db2.gz MUEXWWFKJIUKRA-HALDLXJZSA-N -1 1 376.424 1.138 20 0 GDADMM Cc1ccc(C)c(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]32)c1 ZINC001571120445 952503249 /nfs/dbraw/zinc/50/32/49/952503249.db2.gz MUEXWWFKJIUKRA-HALDLXJZSA-N -1 1 376.424 1.138 20 0 GDADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@H]1CCN(C(=O)[C@H]2Cc3ccccc32)C1 ZINC001571120472 952503384 /nfs/dbraw/zinc/50/33/84/952503384.db2.gz NGRCBOKVGOKWHC-ZFWWWQNUSA-N -1 1 376.424 1.034 20 0 GDADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@H]1CCN(C(=O)[C@H]2Cc3ccccc32)C1 ZINC001571120472 952503387 /nfs/dbraw/zinc/50/33/87/952503387.db2.gz NGRCBOKVGOKWHC-ZFWWWQNUSA-N -1 1 376.424 1.034 20 0 GDADMM CN(CC(=O)NCc1ccco1)C(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001571120989 952513590 /nfs/dbraw/zinc/51/35/90/952513590.db2.gz UAEZTKUCENKMGF-UHFFFAOYSA-N -1 1 376.323 1.126 20 0 GDADMM CN(CC(=O)NCc1ccco1)C(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001571120989 952513594 /nfs/dbraw/zinc/51/35/94/952513594.db2.gz UAEZTKUCENKMGF-UHFFFAOYSA-N -1 1 376.323 1.126 20 0 GDADMM CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NCc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571121918 952522594 /nfs/dbraw/zinc/52/25/94/952522594.db2.gz DXVTXIUEKLTRSW-VXGBXAGGSA-N -1 1 376.486 1.829 20 0 GDADMM CC[C@@H](SC)C(=O)N1CC[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571123053 952527406 /nfs/dbraw/zinc/52/74/06/952527406.db2.gz MRJKGEVOKMZTFK-WCQYABFASA-N -1 1 376.490 1.449 20 0 GDADMM CC[C@@H](SC)C(=O)N1CC[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571123053 952527409 /nfs/dbraw/zinc/52/74/09/952527409.db2.gz MRJKGEVOKMZTFK-WCQYABFASA-N -1 1 376.490 1.449 20 0 GDADMM Cc1nsc(NC[C@@H]2CCN(C(=O)c3nccs3)C2)c1-c1nn[n-]n1 ZINC001571124074 952534011 /nfs/dbraw/zinc/53/40/11/952534011.db2.gz YKDRLCPYYIBCNQ-VIFPVBQESA-N -1 1 376.471 1.662 20 0 GDADMM Cc1nsc(N2CC[C@](C)(NC(=O)c3cncs3)C2)c1-c1nn[n-]n1 ZINC001571124168 952535175 /nfs/dbraw/zinc/53/51/75/952535175.db2.gz ZYEYDNICEJMIEC-AWEZNQCLSA-N -1 1 376.471 1.487 20 0 GDADMM O=C(c1ccco1)N1C[C@@H]2C[C@H]1CN2c1snc(Cl)c1-c1nnn[n-]1 ZINC001571127403 952555677 /nfs/dbraw/zinc/55/56/77/952555677.db2.gz GKTMUXZPEKZYAC-YUMQZZPRSA-N -1 1 377.817 1.673 20 0 GDADMM O=C(c1ccco1)N1C[C@@H]2C[C@H]1CN2c1snc(Cl)c1-c1nn[n-]n1 ZINC001571127403 952555685 /nfs/dbraw/zinc/55/56/85/952555685.db2.gz GKTMUXZPEKZYAC-YUMQZZPRSA-N -1 1 377.817 1.673 20 0 GDADMM CCC[C@H](O)CCNC(=O)C1CCN(c2oc(C)nc2-c2nn[n-]n2)CC1 ZINC001571127486 952556369 /nfs/dbraw/zinc/55/63/69/952556369.db2.gz KRMSVNVGUJIAGO-ZDUSSCGKSA-N -1 1 377.449 1.047 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001575214938 952567230 /nfs/dbraw/zinc/56/72/30/952567230.db2.gz PZNNGAGSYOGZSB-LLVKDONJSA-N -1 1 380.403 1.645 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001575214938 952567238 /nfs/dbraw/zinc/56/72/38/952567238.db2.gz PZNNGAGSYOGZSB-LLVKDONJSA-N -1 1 380.403 1.645 20 0 GDADMM CCO[C@H]1C[C@@H]1C(=O)N1CCC(Nc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001571128826 952571271 /nfs/dbraw/zinc/57/12/71/952571271.db2.gz XTZLDHFNZKWCLG-RYUDHWBXSA-N -1 1 377.474 1.460 20 0 GDADMM O=C(NC[C@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCC1(F)F ZINC001571129172 952573475 /nfs/dbraw/zinc/57/34/75/952573475.db2.gz AVOCTTZEKCVCQQ-MNOVXSKESA-N -1 1 378.387 1.177 20 0 GDADMM O=C(NC[C@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCC1(F)F ZINC001571129172 952573478 /nfs/dbraw/zinc/57/34/78/952573478.db2.gz AVOCTTZEKCVCQQ-MNOVXSKESA-N -1 1 378.387 1.177 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@H](NC(=O)[C@H]3CCC(F)(F)C3)C2)n1 ZINC001571129517 952575179 /nfs/dbraw/zinc/57/51/79/952575179.db2.gz FVMMQLPQNNDVQD-DCAQKATOSA-N -1 1 378.387 1.460 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@H](NC(=O)[C@H]3CCC(F)(F)C3)C2)n1 ZINC001571129517 952575181 /nfs/dbraw/zinc/57/51/81/952575181.db2.gz FVMMQLPQNNDVQD-DCAQKATOSA-N -1 1 378.387 1.460 20 0 GDADMM O=C(NC[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CC(F)(F)C1 ZINC001571129842 952577958 /nfs/dbraw/zinc/57/79/58/952577958.db2.gz KKAVYOALPOLECT-SNVBAGLBSA-N -1 1 378.387 1.035 20 0 GDADMM O=C(NC[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CC(F)(F)C1 ZINC001571129842 952577963 /nfs/dbraw/zinc/57/79/63/952577963.db2.gz KKAVYOALPOLECT-SNVBAGLBSA-N -1 1 378.387 1.035 20 0 GDADMM CC1(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)CC(F)(F)C1 ZINC001571130540 952580701 /nfs/dbraw/zinc/58/07/01/952580701.db2.gz SNUXWYXKSCJEDZ-SNVBAGLBSA-N -1 1 378.387 1.177 20 0 GDADMM CC1(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)CC(F)(F)C1 ZINC001571130540 952580705 /nfs/dbraw/zinc/58/07/05/952580705.db2.gz SNUXWYXKSCJEDZ-SNVBAGLBSA-N -1 1 378.387 1.177 20 0 GDADMM O=C(NCc1cccc(N2CCCC2=O)c1)Nc1ccnc(-c2nnn[n-]2)c1 ZINC001571130710 952582053 /nfs/dbraw/zinc/58/20/53/952582053.db2.gz UUMUJVSNGVRHAX-UHFFFAOYSA-N -1 1 378.396 1.710 20 0 GDADMM O=C(NCc1cccc(N2CCCC2=O)c1)Nc1ccnc(-c2nn[n-]n2)c1 ZINC001571130710 952582054 /nfs/dbraw/zinc/58/20/54/952582054.db2.gz UUMUJVSNGVRHAX-UHFFFAOYSA-N -1 1 378.396 1.710 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@@H]2[C@@H](CCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001571130937 952582553 /nfs/dbraw/zinc/58/25/53/952582553.db2.gz ZBFYXARPGBIGOT-WDEREUQCSA-N -1 1 378.387 1.129 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@@H]2[C@@H](CCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001571130937 952582556 /nfs/dbraw/zinc/58/25/56/952582556.db2.gz ZBFYXARPGBIGOT-WDEREUQCSA-N -1 1 378.387 1.129 20 0 GDADMM O=C(NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)[C@@H]1CCC(F)(F)C1 ZINC001571130891 952582847 /nfs/dbraw/zinc/58/28/47/952582847.db2.gz XUWIXESGDVFABF-GHMZBOCLSA-N -1 1 378.387 1.035 20 0 GDADMM O=C(NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)[C@@H]1CCC(F)(F)C1 ZINC001571130891 952582852 /nfs/dbraw/zinc/58/28/52/952582852.db2.gz XUWIXESGDVFABF-GHMZBOCLSA-N -1 1 378.387 1.035 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H](N(C)c3ccc(-c4nnn[n-]4)nn3)C2)c(C)c1 ZINC001571134052 952584691 /nfs/dbraw/zinc/58/46/91/952584691.db2.gz COQTZCJLFUCBGU-AWEZNQCLSA-N -1 1 378.440 1.624 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H](N(C)c3ccc(-c4nn[n-]n4)nn3)C2)c(C)c1 ZINC001571134052 952584698 /nfs/dbraw/zinc/58/46/98/952584698.db2.gz COQTZCJLFUCBGU-AWEZNQCLSA-N -1 1 378.440 1.624 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571134426 952590328 /nfs/dbraw/zinc/59/03/28/952590328.db2.gz GAEHWNLDQNHYSN-HNNXBMFYSA-N -1 1 378.440 1.789 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571134426 952590331 /nfs/dbraw/zinc/59/03/31/952590331.db2.gz GAEHWNLDQNHYSN-HNNXBMFYSA-N -1 1 378.440 1.789 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@@H]2C)c1C ZINC001571134488 952590505 /nfs/dbraw/zinc/59/05/05/952590505.db2.gz IWNSSHQQOGVYGX-ZFWWWQNUSA-N -1 1 378.440 1.989 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@@H]2C)c1C ZINC001571134488 952590509 /nfs/dbraw/zinc/59/05/09/952590509.db2.gz IWNSSHQQOGVYGX-ZFWWWQNUSA-N -1 1 378.440 1.989 20 0 GDADMM Cc1cc(C)cc(C(=O)N2CCCN(c3ccc(-c4nnn[n-]4)nn3)CC2)c1 ZINC001571134600 952593260 /nfs/dbraw/zinc/59/32/60/952593260.db2.gz HPPSBAVVFZYXOM-UHFFFAOYSA-N -1 1 378.440 1.626 20 0 GDADMM Cc1cc(C)cc(C(=O)N2CCCN(c3ccc(-c4nn[n-]n4)nn3)CC2)c1 ZINC001571134600 952593262 /nfs/dbraw/zinc/59/32/62/952593262.db2.gz HPPSBAVVFZYXOM-UHFFFAOYSA-N -1 1 378.440 1.626 20 0 GDADMM Cc1cc(C)cc(C(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H](C)C2)c1 ZINC001571134794 952594977 /nfs/dbraw/zinc/59/49/77/952594977.db2.gz LPGAACWTLSTOTO-BBRMVZONSA-N -1 1 378.440 1.846 20 0 GDADMM Cc1cc(C)cc(C(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H](C)C2)c1 ZINC001571134794 952594984 /nfs/dbraw/zinc/59/49/84/952594984.db2.gz LPGAACWTLSTOTO-BBRMVZONSA-N -1 1 378.440 1.846 20 0 GDADMM Cc1cccc(CC(=O)N2CCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC001571134848 952596388 /nfs/dbraw/zinc/59/63/88/952596388.db2.gz OMXLQPDVCVVWCA-HNNXBMFYSA-N -1 1 378.440 1.611 20 0 GDADMM Cc1cccc(CC(=O)N2CCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC001571134848 952596389 /nfs/dbraw/zinc/59/63/89/952596389.db2.gz OMXLQPDVCVVWCA-HNNXBMFYSA-N -1 1 378.440 1.611 20 0 GDADMM Cc1cc(C)cc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C)c1 ZINC001571134866 952596451 /nfs/dbraw/zinc/59/64/51/952596451.db2.gz MABLJTPAXYXQAW-UKRRQHHQSA-N -1 1 378.440 1.528 20 0 GDADMM Cc1cc(C)cc(CC(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571134882 952596605 /nfs/dbraw/zinc/59/66/05/952596605.db2.gz MKDWDXVHANSWER-GASCZTMLSA-N -1 1 378.440 1.575 20 0 GDADMM Cc1cc(C)cc(CC(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571134882 952596607 /nfs/dbraw/zinc/59/66/07/952596607.db2.gz MKDWDXVHANSWER-GASCZTMLSA-N -1 1 378.440 1.575 20 0 GDADMM CC(=O)N1CCc2c1cccc2NC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001571139429 952620094 /nfs/dbraw/zinc/62/00/94/952620094.db2.gz HPEYXCLXWPFONZ-UHFFFAOYSA-N -1 1 379.380 1.437 20 0 GDADMM C[C@@H]1CN(C(=O)c2cc[nH]c2)C[C@H]1Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001571141018 952630333 /nfs/dbraw/zinc/63/03/33/952630333.db2.gz FOCKCPNMWFCENY-VXNVDRBHSA-N -1 1 378.849 1.877 20 0 GDADMM CCc1cccc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@H]2C)n1 ZINC001571146655 952651635 /nfs/dbraw/zinc/65/16/35/952651635.db2.gz AEJOKHYBJGELBM-DGCLKSJQSA-N -1 1 379.428 1.329 20 0 GDADMM CCc1cccc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@H]2C)n1 ZINC001571146655 952651636 /nfs/dbraw/zinc/65/16/36/952651636.db2.gz AEJOKHYBJGELBM-DGCLKSJQSA-N -1 1 379.428 1.329 20 0 GDADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H]1CCCN(C(=O)c2cccnc2)C1 ZINC001571146775 952652044 /nfs/dbraw/zinc/65/20/44/952652044.db2.gz BSTCGQJSNSWTGP-OCCSQVGLSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H]1CCCN(C(=O)c2cccnc2)C1 ZINC001571146775 952652047 /nfs/dbraw/zinc/65/20/47/952652047.db2.gz BSTCGQJSNSWTGP-OCCSQVGLSA-N -1 1 379.428 1.405 20 0 GDADMM Cc1c[nH]cc1C(=O)N[C@@]12CCC[C@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001571146706 952652534 /nfs/dbraw/zinc/65/25/34/952652534.db2.gz AUUMALGXRHGDSU-FZKQIMNGSA-N -1 1 379.428 1.225 20 0 GDADMM CCc1ccnc(C(=O)N2C[C@@H](C)[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571147555 952662830 /nfs/dbraw/zinc/66/28/30/952662830.db2.gz NPWBHRDPLRAAHK-ABAIWWIYSA-N -1 1 379.428 1.187 20 0 GDADMM CCc1ccnc(C(=O)N2C[C@@H](C)[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571147555 952662833 /nfs/dbraw/zinc/66/28/33/952662833.db2.gz NPWBHRDPLRAAHK-ABAIWWIYSA-N -1 1 379.428 1.187 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cccnc2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571147891 952664531 /nfs/dbraw/zinc/66/45/31/952664531.db2.gz RSJYLCZFMBVLOO-TZMCWYRMSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cccnc2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571147891 952664534 /nfs/dbraw/zinc/66/45/34/952664534.db2.gz RSJYLCZFMBVLOO-TZMCWYRMSA-N -1 1 379.428 1.405 20 0 GDADMM CCc1ccnc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571148026 952665290 /nfs/dbraw/zinc/66/52/90/952665290.db2.gz TXHXBVRXUQDOHU-CYBMUJFWSA-N -1 1 379.428 1.013 20 0 GDADMM CCc1ccnc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571148026 952665291 /nfs/dbraw/zinc/66/52/91/952665291.db2.gz TXHXBVRXUQDOHU-CYBMUJFWSA-N -1 1 379.428 1.013 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccncc2)C[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001571148459 952667610 /nfs/dbraw/zinc/66/76/10/952667610.db2.gz ZYTLWLJTLMPKJQ-TZMCWYRMSA-N -1 1 379.428 1.262 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccncc2)C[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001571148459 952667612 /nfs/dbraw/zinc/66/76/12/952667612.db2.gz ZYTLWLJTLMPKJQ-TZMCWYRMSA-N -1 1 379.428 1.262 20 0 GDADMM O=C(c1ccncc1)N1CCC[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571151687 952676604 /nfs/dbraw/zinc/67/66/04/952676604.db2.gz UPXHZTIQKBRWGN-CYBMUJFWSA-N -1 1 379.428 1.406 20 0 GDADMM O=C(c1ccncc1)N1CCC[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571151687 952676607 /nfs/dbraw/zinc/67/66/07/952676607.db2.gz UPXHZTIQKBRWGN-CYBMUJFWSA-N -1 1 379.428 1.406 20 0 GDADMM O=C(Nc1cccc(-c2nnn[n-]2)n1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC001571153335 952685279 /nfs/dbraw/zinc/68/52/79/952685279.db2.gz OIJRUACNCXULJK-UHFFFAOYSA-N -1 1 380.336 1.510 20 0 GDADMM O=C(Nc1cccc(-c2nn[n-]n2)n1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC001571153335 952685280 /nfs/dbraw/zinc/68/52/80/952685280.db2.gz OIJRUACNCXULJK-UHFFFAOYSA-N -1 1 380.336 1.510 20 0 GDADMM Cc1cnccc1C(=O)N1CCCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571156715 952704016 /nfs/dbraw/zinc/70/40/16/952704016.db2.gz HQDRWWZTXOFBEQ-CYBMUJFWSA-N -1 1 379.428 1.467 20 0 GDADMM Cc1cnccc1C(=O)N1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571156715 952704020 /nfs/dbraw/zinc/70/40/20/952704020.db2.gz HQDRWWZTXOFBEQ-CYBMUJFWSA-N -1 1 379.428 1.467 20 0 GDADMM Cc1cccnc1C(=O)NC[C@@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571156783 952704471 /nfs/dbraw/zinc/70/44/71/952704471.db2.gz JLFZATYOZPODEM-ZDUSSCGKSA-N -1 1 379.428 1.149 20 0 GDADMM Cc1cccnc1C(=O)NC[C@@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571156783 952704476 /nfs/dbraw/zinc/70/44/76/952704476.db2.gz JLFZATYOZPODEM-ZDUSSCGKSA-N -1 1 379.428 1.149 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H]3[C@@H]2CCCN3C(=O)c2ccco2)n1 ZINC001571158293 952710798 /nfs/dbraw/zinc/71/07/98/952710798.db2.gz GJCGCPHXLCQNTA-UONOGXRCSA-N -1 1 380.412 1.442 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H]3[C@@H]2CCCN3C(=O)c2ccco2)n1 ZINC001571158293 952710802 /nfs/dbraw/zinc/71/08/02/952710802.db2.gz GJCGCPHXLCQNTA-UONOGXRCSA-N -1 1 380.412 1.442 20 0 GDADMM COc1ccccc1C(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571158453 952711721 /nfs/dbraw/zinc/71/17/21/952711721.db2.gz IDNLUXUFDNWJBD-GFCCVEGCSA-N -1 1 380.412 1.382 20 0 GDADMM COc1ccccc1C(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571158453 952711725 /nfs/dbraw/zinc/71/17/25/952711725.db2.gz IDNLUXUFDNWJBD-GFCCVEGCSA-N -1 1 380.412 1.382 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NCC2CCN(C(=O)c3ccccn3)CC2)n1 ZINC001571158918 952716459 /nfs/dbraw/zinc/71/64/59/952716459.db2.gz UHNYUIGKPYVBEM-UHFFFAOYSA-N -1 1 379.428 1.324 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NCC2CCN(C(=O)c3ccccn3)CC2)n1 ZINC001571158918 952716463 /nfs/dbraw/zinc/71/64/63/952716463.db2.gz UHNYUIGKPYVBEM-UHFFFAOYSA-N -1 1 379.428 1.324 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CC23CCN(c2ccc(-c4nnn[n-]4)nn2)CC3)o1 ZINC001571159338 952718195 /nfs/dbraw/zinc/71/81/95/952718195.db2.gz UUDAHHUYBHZCRB-CQSZACIVSA-N -1 1 380.412 1.347 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CC23CCN(c2ccc(-c4nn[n-]n4)nn2)CC3)o1 ZINC001571159338 952718199 /nfs/dbraw/zinc/71/81/99/952718199.db2.gz UUDAHHUYBHZCRB-CQSZACIVSA-N -1 1 380.412 1.347 20 0 GDADMM Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cncc(-c3nnn[n-]3)n2)oc1C ZINC001571159509 952719862 /nfs/dbraw/zinc/71/98/62/952719862.db2.gz WZWJLCLVHYMFRA-BETUJISGSA-N -1 1 380.412 1.360 20 0 GDADMM Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cncc(-c3nn[n-]n3)n2)oc1C ZINC001571159509 952719867 /nfs/dbraw/zinc/71/98/67/952719867.db2.gz WZWJLCLVHYMFRA-BETUJISGSA-N -1 1 380.412 1.360 20 0 GDADMM Cc1cnc(C(=O)N2CC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)c(C)c1 ZINC001571159664 952720493 /nfs/dbraw/zinc/72/04/93/952720493.db2.gz VOTVTAKTAIBPJX-CYBMUJFWSA-N -1 1 379.428 1.243 20 0 GDADMM Cc1cnc(C(=O)N2CC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)c(C)c1 ZINC001571159664 952720498 /nfs/dbraw/zinc/72/04/98/952720498.db2.gz VOTVTAKTAIBPJX-CYBMUJFWSA-N -1 1 379.428 1.243 20 0 GDADMM O=C(c1cc2c(o1)CCCC2)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571160646 952727506 /nfs/dbraw/zinc/72/75/06/952727506.db2.gz KXUAFONXJRDMOF-UHFFFAOYSA-N -1 1 380.412 1.091 20 0 GDADMM O=C(c1cc2c(o1)CCCC2)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571160646 952727509 /nfs/dbraw/zinc/72/75/09/952727509.db2.gz KXUAFONXJRDMOF-UHFFFAOYSA-N -1 1 380.412 1.091 20 0 GDADMM O=C(CCc1ccco1)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001571160881 952729417 /nfs/dbraw/zinc/72/94/17/952729417.db2.gz NYVVXBZXVZYOBY-BETUJISGSA-N -1 1 380.412 1.062 20 0 GDADMM O=C(CCc1ccco1)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001571160881 952729421 /nfs/dbraw/zinc/72/94/21/952729421.db2.gz NYVVXBZXVZYOBY-BETUJISGSA-N -1 1 380.412 1.062 20 0 GDADMM C[C@H]1CN(C(=O)c2ocnc2C2CC2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571170678 952788859 /nfs/dbraw/zinc/78/88/59/952788859.db2.gz KOMGZSCKHDIDAL-CABZTGNLSA-N -1 1 381.400 1.095 20 0 GDADMM C[C@H]1CN(C(=O)c2ocnc2C2CC2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571170678 952788860 /nfs/dbraw/zinc/78/88/60/952788860.db2.gz KOMGZSCKHDIDAL-CABZTGNLSA-N -1 1 381.400 1.095 20 0 GDADMM O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CCC[C@H]2[C@@H]1CCN2c1nccnc1-c1nnn[n-]1 ZINC001571171544 952793467 /nfs/dbraw/zinc/79/34/67/952793467.db2.gz BSKRBUVHGOYSLI-AIEDFZFUSA-N -1 1 380.456 1.273 20 0 GDADMM O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CCC[C@H]2[C@@H]1CCN2c1nccnc1-c1nn[n-]n1 ZINC001571171544 952793469 /nfs/dbraw/zinc/79/34/69/952793469.db2.gz BSKRBUVHGOYSLI-AIEDFZFUSA-N -1 1 380.456 1.273 20 0 GDADMM O=C(CC1CC1)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1nccnc1-c1nnn[n-]1 ZINC001571171687 952796310 /nfs/dbraw/zinc/79/63/10/952796310.db2.gz CXTONQDEXPNJTO-YJNKXOJESA-N -1 1 380.456 1.130 20 0 GDADMM O=C(CC1CC1)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1nccnc1-c1nn[n-]n1 ZINC001571171687 952796313 /nfs/dbraw/zinc/79/63/13/952796313.db2.gz CXTONQDEXPNJTO-YJNKXOJESA-N -1 1 380.456 1.130 20 0 GDADMM O=C([C@H]1C[C@H]2C[C@H]2C1)N1CC[C@@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571171737 952796932 /nfs/dbraw/zinc/79/69/32/952796932.db2.gz FMUSLQUOWMQDPM-UMCXVIDHSA-N -1 1 380.456 1.132 20 0 GDADMM O=C([C@@H]1CC12CCC2)N1C[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571172223 952804621 /nfs/dbraw/zinc/80/46/21/952804621.db2.gz PUQVFPUMYOUOQR-RDBSUJKOSA-N -1 1 380.456 1.132 20 0 GDADMM O=C([C@H]1C[C@H]2C[C@H]2C1)N1CC[C@H]2[C@H](CCN2c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571172370 952807004 /nfs/dbraw/zinc/80/70/04/952807004.db2.gz UEIBOCQWLBKCGY-NJURLYQPSA-N -1 1 380.456 1.130 20 0 GDADMM O=C([C@H]1C[C@H]2C[C@H]2C1)N1CC[C@H]2[C@H](CCN2c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571172370 952807011 /nfs/dbraw/zinc/80/70/11/952807011.db2.gz UEIBOCQWLBKCGY-NJURLYQPSA-N -1 1 380.456 1.130 20 0 GDADMM O=C(NC1CC(CNc2nccnc2-c2nnn[n-]2)C1)c1cnc(C2CC2)o1 ZINC001571176135 952829100 /nfs/dbraw/zinc/82/91/00/952829100.db2.gz MFRVLURIHDLOHW-UHFFFAOYSA-N -1 1 381.400 1.143 20 0 GDADMM O=C(NC1CC(CNc2nccnc2-c2nn[n-]n2)C1)c1cnc(C2CC2)o1 ZINC001571176135 952829105 /nfs/dbraw/zinc/82/91/05/952829105.db2.gz MFRVLURIHDLOHW-UHFFFAOYSA-N -1 1 381.400 1.143 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001571179894 952856146 /nfs/dbraw/zinc/85/61/46/952856146.db2.gz JPDGVKRUQAJIMS-KBPBESRZSA-N -1 1 381.444 1.004 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001571179894 952856152 /nfs/dbraw/zinc/85/61/52/952856152.db2.gz JPDGVKRUQAJIMS-KBPBESRZSA-N -1 1 381.444 1.004 20 0 GDADMM CC(C)Cc1c[nH]c(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571179956 952857883 /nfs/dbraw/zinc/85/78/83/952857883.db2.gz LAQXRZKYOMUEMC-CYBMUJFWSA-N -1 1 381.444 1.192 20 0 GDADMM CC(C)Cc1c[nH]c(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571179956 952857892 /nfs/dbraw/zinc/85/78/92/952857892.db2.gz LAQXRZKYOMUEMC-CYBMUJFWSA-N -1 1 381.444 1.192 20 0 GDADMM CCn1c(C)cc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1C ZINC001571183425 952877609 /nfs/dbraw/zinc/87/76/09/952877609.db2.gz AAKPYECFYPBCMO-ZDUSSCGKSA-N -1 1 381.444 1.422 20 0 GDADMM CCn1c(C)cc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1C ZINC001571183425 952877610 /nfs/dbraw/zinc/87/76/10/952877610.db2.gz AAKPYECFYPBCMO-ZDUSSCGKSA-N -1 1 381.444 1.422 20 0 GDADMM CCCc1[nH]ccc1C(=O)N1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C[C@@H]1C ZINC001571183475 952878688 /nfs/dbraw/zinc/87/86/88/952878688.db2.gz BEECZYGKNFQOQY-RYUDHWBXSA-N -1 1 381.444 1.074 20 0 GDADMM CCc1[nH]ccc1C(=O)NC[C@@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571184078 952887071 /nfs/dbraw/zinc/88/70/71/952887071.db2.gz PTMFHCCWYYNUMQ-LBPRGKRZSA-N -1 1 381.444 1.336 20 0 GDADMM CCc1[nH]ccc1C(=O)NC[C@@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571184078 952887074 /nfs/dbraw/zinc/88/70/74/952887074.db2.gz PTMFHCCWYYNUMQ-LBPRGKRZSA-N -1 1 381.444 1.336 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571184027 952887373 /nfs/dbraw/zinc/88/73/73/952887373.db2.gz OQROEUMGZBVFIT-CYBMUJFWSA-N -1 1 381.444 1.295 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571184027 952887376 /nfs/dbraw/zinc/88/73/76/952887376.db2.gz OQROEUMGZBVFIT-CYBMUJFWSA-N -1 1 381.444 1.295 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001571184190 952889424 /nfs/dbraw/zinc/88/94/24/952889424.db2.gz SUZDNLDOADTQGJ-UONOGXRCSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001571184190 952889428 /nfs/dbraw/zinc/88/94/28/952889428.db2.gz SUZDNLDOADTQGJ-UONOGXRCSA-N -1 1 381.444 1.370 20 0 GDADMM CCn1cccc1C(=O)NC[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571184975 952897966 /nfs/dbraw/zinc/89/79/66/952897966.db2.gz GBLOEWKKSHQOPN-ZDUSSCGKSA-N -1 1 381.444 1.125 20 0 GDADMM CCn1cccc1C(=O)NC[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571184975 952897971 /nfs/dbraw/zinc/89/79/71/952897971.db2.gz GBLOEWKKSHQOPN-ZDUSSCGKSA-N -1 1 381.444 1.125 20 0 GDADMM Cc1[nH]ccc1C(=O)N1C[C@H](C)[C@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571185521 952902416 /nfs/dbraw/zinc/90/24/16/952902416.db2.gz MRXFNZLLHLTRFE-GXFFZTMASA-N -1 1 381.444 1.422 20 0 GDADMM Cc1[nH]ccc1C(=O)N1C[C@H](C)[C@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571185521 952902420 /nfs/dbraw/zinc/90/24/20/952902420.db2.gz MRXFNZLLHLTRFE-GXFFZTMASA-N -1 1 381.444 1.422 20 0 GDADMM Cc1c(C(=O)NC[C@@H]2CCCCN2c2cncc(-c3nnn[n-]3)n2)ccn1C ZINC001571186081 952904653 /nfs/dbraw/zinc/90/46/53/952904653.db2.gz RWICBXFGHOPTDJ-ZDUSSCGKSA-N -1 1 381.444 1.093 20 0 GDADMM Cc1c(C(=O)NC[C@@H]2CCCCN2c2cncc(-c3nn[n-]n3)n2)ccn1C ZINC001571186081 952904655 /nfs/dbraw/zinc/90/46/55/952904655.db2.gz RWICBXFGHOPTDJ-ZDUSSCGKSA-N -1 1 381.444 1.093 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@@H]2CN(C)c2cnc(-c3nnn[n-]3)cn2)c(C)[nH]1 ZINC001571188169 952912156 /nfs/dbraw/zinc/91/21/56/952912156.db2.gz HIDYIRPMILQUBC-CYBMUJFWSA-N -1 1 381.444 1.343 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@@H]2CN(C)c2cnc(-c3nn[n-]n3)cn2)c(C)[nH]1 ZINC001571188169 952912160 /nfs/dbraw/zinc/91/21/60/952912160.db2.gz HIDYIRPMILQUBC-CYBMUJFWSA-N -1 1 381.444 1.343 20 0 GDADMM Cc1ccn(C)c1C(=O)N1CCC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571189327 952928173 /nfs/dbraw/zinc/92/81/73/952928173.db2.gz VBHCFSHTDQZVEH-CYBMUJFWSA-N -1 1 381.444 1.268 20 0 GDADMM Cc1ccn(C)c1C(=O)N1CCC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571189327 952928177 /nfs/dbraw/zinc/92/81/77/952928177.db2.gz VBHCFSHTDQZVEH-CYBMUJFWSA-N -1 1 381.444 1.268 20 0 GDADMM O=C(CC(F)(F)F)N1CC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571190828 952944131 /nfs/dbraw/zinc/94/41/31/952944131.db2.gz MWIHENLVUDGBGJ-YFKPBYRVSA-N -1 1 381.771 1.942 20 0 GDADMM O=C(CC(F)(F)F)N1CC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571190828 952944137 /nfs/dbraw/zinc/94/41/37/952944137.db2.gz MWIHENLVUDGBGJ-YFKPBYRVSA-N -1 1 381.771 1.942 20 0 GDADMM Cc1ccc(C(=O)NC[C@@H]2CCCN2c2nccnc2-c2nnn[n-]2)cc1F ZINC001571195719 952978727 /nfs/dbraw/zinc/97/87/27/952978727.db2.gz FFSBQELSUHGYLN-ZDUSSCGKSA-N -1 1 382.403 1.503 20 0 GDADMM Cc1ccc(C(=O)NC[C@@H]2CCCN2c2nccnc2-c2nn[n-]n2)cc1F ZINC001571195719 952978730 /nfs/dbraw/zinc/97/87/30/952978730.db2.gz FFSBQELSUHGYLN-ZDUSSCGKSA-N -1 1 382.403 1.503 20 0 GDADMM Cc1cc(F)cc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)[C@@H]2C)c1 ZINC001571196088 952980789 /nfs/dbraw/zinc/98/07/89/952980789.db2.gz HGKSKNYSBWEXQG-RISCZKNCSA-N -1 1 382.403 1.501 20 0 GDADMM Cc1c(F)cccc1C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571197109 952986497 /nfs/dbraw/zinc/98/64/97/952986497.db2.gz SFIQLRUGUQYZMB-GFCCVEGCSA-N -1 1 382.403 1.243 20 0 GDADMM CCc1occc1C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H](C)C1 ZINC001571198953 952995037 /nfs/dbraw/zinc/99/50/37/952995037.db2.gz IORLHPNQNUMUQV-RYUDHWBXSA-N -1 1 382.428 1.599 20 0 GDADMM CCc1occc1C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H](C)C1 ZINC001571198953 952995039 /nfs/dbraw/zinc/99/50/39/952995039.db2.gz IORLHPNQNUMUQV-RYUDHWBXSA-N -1 1 382.428 1.599 20 0 GDADMM CCc1occc1C(=O)N1C[C@@H](C)[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571199235 952997525 /nfs/dbraw/zinc/99/75/25/952997525.db2.gz OBWCBZDLEHYUKZ-NEPJUHHUSA-N -1 1 382.428 1.632 20 0 GDADMM CCc1occc1C(=O)N1C[C@@H](C)[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571199235 952997536 /nfs/dbraw/zinc/99/75/36/952997536.db2.gz OBWCBZDLEHYUKZ-NEPJUHHUSA-N -1 1 382.428 1.632 20 0 GDADMM CCc1occc1C(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571199296 952998777 /nfs/dbraw/zinc/99/87/77/952998777.db2.gz PFHDQGDDUQPXGL-NWDGAFQWSA-N -1 1 382.428 1.823 20 0 GDADMM CCc1occc1C(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571199296 952998783 /nfs/dbraw/zinc/99/87/83/952998783.db2.gz PFHDQGDDUQPXGL-NWDGAFQWSA-N -1 1 382.428 1.823 20 0 GDADMM CCc1occc1C(=O)NCC1CC(Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571199564 953002130 /nfs/dbraw/zinc/00/21/30/953002130.db2.gz VGFVJPDDUWSVCR-UHFFFAOYSA-N -1 1 382.428 1.741 20 0 GDADMM CCc1occc1C(=O)NCC1CC(Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571199564 953002141 /nfs/dbraw/zinc/00/21/41/953002141.db2.gz VGFVJPDDUWSVCR-UHFFFAOYSA-N -1 1 382.428 1.741 20 0 GDADMM CC(C)c1occc1C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571199928 953005458 /nfs/dbraw/zinc/00/54/58/953005458.db2.gz CWYOKZBFMHVLQY-BXUZGUMPSA-N -1 1 382.428 1.946 20 0 GDADMM CC(C)c1occc1C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571199928 953005461 /nfs/dbraw/zinc/00/54/61/953005461.db2.gz CWYOKZBFMHVLQY-BXUZGUMPSA-N -1 1 382.428 1.946 20 0 GDADMM Cc1cc(C(=O)N(C)C2CCN(c3nccnc3-c3nnn[n-]3)CC2)c(C)o1 ZINC001571201072 953013867 /nfs/dbraw/zinc/01/38/67/953013867.db2.gz JGJXTMPDXBOBPJ-UHFFFAOYSA-N -1 1 382.428 1.608 20 0 GDADMM Cc1cc(C(=O)N(C)C2CCN(c3nccnc3-c3nn[n-]n3)CC2)c(C)o1 ZINC001571201072 953013873 /nfs/dbraw/zinc/01/38/73/953013873.db2.gz JGJXTMPDXBOBPJ-UHFFFAOYSA-N -1 1 382.428 1.608 20 0 GDADMM CC(C)c1ccoc1C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571201440 953017306 /nfs/dbraw/zinc/01/73/06/953017306.db2.gz PYSVCVQEHZUHDG-HAQNSBGRSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1ccoc1C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571201440 953017308 /nfs/dbraw/zinc/01/73/08/953017308.db2.gz PYSVCVQEHZUHDG-HAQNSBGRSA-N -1 1 382.428 1.994 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2CNc2nccnc2-c2nnn[n-]2)o1 ZINC001571201346 953017387 /nfs/dbraw/zinc/01/73/87/953017387.db2.gz KIWYZSVJLUUSKH-YPMHNXCESA-N -1 1 382.428 1.911 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2CNc2nccnc2-c2nn[n-]n2)o1 ZINC001571201346 953017391 /nfs/dbraw/zinc/01/73/91/953017391.db2.gz KIWYZSVJLUUSKH-YPMHNXCESA-N -1 1 382.428 1.911 20 0 GDADMM Cc1coc(C(=O)N[C@@H](C)[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571201383 953017981 /nfs/dbraw/zinc/01/79/81/953017981.db2.gz LPCAOIYSOCJMPB-STQMWFEESA-N -1 1 382.428 1.593 20 0 GDADMM Cc1coc(C(=O)N[C@@H](C)[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571201383 953017983 /nfs/dbraw/zinc/01/79/83/953017983.db2.gz LPCAOIYSOCJMPB-STQMWFEESA-N -1 1 382.428 1.593 20 0 GDADMM Cc1coc(C)c1C(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571202291 953024257 /nfs/dbraw/zinc/02/42/57/953024257.db2.gz SUAPLGOBNCYRIS-CYBMUJFWSA-N -1 1 382.428 1.513 20 0 GDADMM Cc1cc(C(=O)N[C@@H](C)[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)co1 ZINC001571202570 953026415 /nfs/dbraw/zinc/02/64/15/953026415.db2.gz VCZYLMZSAQHEEQ-STQMWFEESA-N -1 1 382.428 1.593 20 0 GDADMM Cc1cc(C(=O)N[C@@H](C)[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)co1 ZINC001571202570 953026418 /nfs/dbraw/zinc/02/64/18/953026418.db2.gz VCZYLMZSAQHEEQ-STQMWFEESA-N -1 1 382.428 1.593 20 0 GDADMM Cc1coc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2(C)C)c1 ZINC001571202621 953027634 /nfs/dbraw/zinc/02/76/34/953027634.db2.gz WFLDCZIDOKHCAD-AWEZNQCLSA-N -1 1 382.428 1.593 20 0 GDADMM Cc1coc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2(C)C)c1 ZINC001571202621 953027639 /nfs/dbraw/zinc/02/76/39/953027639.db2.gz WFLDCZIDOKHCAD-AWEZNQCLSA-N -1 1 382.428 1.593 20 0 GDADMM Cc1cc(C)c(C(=O)N2CCC[C@@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)o1 ZINC001571202610 953028184 /nfs/dbraw/zinc/02/81/84/953028184.db2.gz VTZDSVDCMZPWHZ-CYBMUJFWSA-N -1 1 382.428 1.892 20 0 GDADMM Cc1cc(C)c(C(=O)N2CCC[C@@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)o1 ZINC001571202610 953028190 /nfs/dbraw/zinc/02/81/90/953028190.db2.gz VTZDSVDCMZPWHZ-CYBMUJFWSA-N -1 1 382.428 1.892 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CC[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)oc1C ZINC001571202765 953028744 /nfs/dbraw/zinc/02/87/44/953028744.db2.gz YGESWJAGRSVCIY-STQMWFEESA-N -1 1 382.428 1.877 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CC[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)oc1C ZINC001571202765 953028752 /nfs/dbraw/zinc/02/87/52/953028752.db2.gz YGESWJAGRSVCIY-STQMWFEESA-N -1 1 382.428 1.877 20 0 GDADMM Cc1cc(C(=O)N2CC[C@](C)(CNc3ccnc(-c4nn[n-]n4)n3)C2)oc1C ZINC001571202822 953029487 /nfs/dbraw/zinc/02/94/87/953029487.db2.gz ZKCVGQFIKHDZQA-GOSISDBHSA-N -1 1 382.428 1.253 20 0 GDADMM Cc1oc(C)c(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@H]2C)c1C ZINC001571205794 953041991 /nfs/dbraw/zinc/04/19/91/953041991.db2.gz MBWBEDYUZKVPFD-MFKMUULPSA-N -1 1 382.428 1.890 20 0 GDADMM Cc1oc(C)c(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@H]2C)c1C ZINC001571205794 953041995 /nfs/dbraw/zinc/04/19/95/953041995.db2.gz MBWBEDYUZKVPFD-MFKMUULPSA-N -1 1 382.428 1.890 20 0 GDADMM CCn1cnc(C(=O)N[C@@H]2CCCC[C@H]2Nc2cncc(-c3nnn[n-]3)n2)c1 ZINC001571206465 953050843 /nfs/dbraw/zinc/05/08/43/953050843.db2.gz HDPIDUHNMOFVFW-VXGBXAGGSA-N -1 1 382.432 1.026 20 0 GDADMM CCn1cnc(C(=O)N[C@@H]2CCCC[C@H]2Nc2cncc(-c3nn[n-]n3)n2)c1 ZINC001571206465 953050844 /nfs/dbraw/zinc/05/08/44/953050844.db2.gz HDPIDUHNMOFVFW-VXGBXAGGSA-N -1 1 382.432 1.026 20 0 GDADMM Cc1[nH]nc(C(=O)N2CCCC[C@H]2CNc2cnc(-c3nnn[n-]3)cn2)c1C ZINC001571206835 953056234 /nfs/dbraw/zinc/05/62/34/953056234.db2.gz LFUZOFONAJMGMD-LBPRGKRZSA-N -1 1 382.432 1.103 20 0 GDADMM Cc1[nH]nc(C(=O)N2CCCC[C@H]2CNc2cnc(-c3nn[n-]n3)cn2)c1C ZINC001571206835 953056237 /nfs/dbraw/zinc/05/62/37/953056237.db2.gz LFUZOFONAJMGMD-LBPRGKRZSA-N -1 1 382.432 1.103 20 0 GDADMM Cc1c[nH]nc1C(=O)N1CCC[C@H]([C@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571207536 953064629 /nfs/dbraw/zinc/06/46/29/953064629.db2.gz VYMYXMCNXFEEMM-RYUDHWBXSA-N -1 1 382.432 1.041 20 0 GDADMM Cc1c[nH]nc1C(=O)N1CCC[C@H]([C@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571207536 953064631 /nfs/dbraw/zinc/06/46/31/953064631.db2.gz VYMYXMCNXFEEMM-RYUDHWBXSA-N -1 1 382.432 1.041 20 0 GDADMM O=C(c1cccs1)N1CCC[C@H]2[C@H]1CCN2c1nccnc1-c1nnn[n-]1 ZINC001571210228 953071093 /nfs/dbraw/zinc/07/10/93/953071093.db2.gz OYYXKYUNNVCCHX-NWDGAFQWSA-N -1 1 382.453 1.602 20 0 GDADMM O=C(c1cccs1)N1CCC[C@H]2[C@H]1CCN2c1nccnc1-c1nn[n-]n1 ZINC001571210228 953071096 /nfs/dbraw/zinc/07/10/96/953071096.db2.gz OYYXKYUNNVCCHX-NWDGAFQWSA-N -1 1 382.453 1.602 20 0 GDADMM O=C(c1sccc1C1CC1)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571210604 953073289 /nfs/dbraw/zinc/07/32/89/953073289.db2.gz UGRZIJJPIGPTLO-LLVKDONJSA-N -1 1 382.453 1.922 20 0 GDADMM O=C(c1sccc1C1CC1)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571210604 953073290 /nfs/dbraw/zinc/07/32/90/953073290.db2.gz UGRZIJJPIGPTLO-LLVKDONJSA-N -1 1 382.453 1.922 20 0 GDADMM C[C@@H]1CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)CC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571211520 953077020 /nfs/dbraw/zinc/07/70/20/953077020.db2.gz AKNJXRXBFMNJFN-SEBNEYGDSA-N -1 1 382.472 1.599 20 0 GDADMM C[C@@H]1CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)CC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571211520 953077022 /nfs/dbraw/zinc/07/70/22/953077022.db2.gz AKNJXRXBFMNJFN-SEBNEYGDSA-N -1 1 382.472 1.599 20 0 GDADMM CCC[C@@H]1C[C@H]1C(=O)N[C@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001571211507 953078029 /nfs/dbraw/zinc/07/80/29/953078029.db2.gz ADQDUZKUERPUJM-MCIONIFRSA-N -1 1 382.472 1.568 20 0 GDADMM CCC[C@@H]1C[C@H]1C(=O)N[C@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001571211507 953078035 /nfs/dbraw/zinc/07/80/35/953078035.db2.gz ADQDUZKUERPUJM-MCIONIFRSA-N -1 1 382.472 1.568 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCCN(C(=O)C34CCC(CC3)C4)C2)n1 ZINC001571211799 953082116 /nfs/dbraw/zinc/08/21/16/953082116.db2.gz GWLYEGRCLJHXOM-BIWSTMPVSA-N -1 1 382.472 1.948 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCCN(C(=O)C34CCC(CC3)C4)C2)n1 ZINC001571211799 953082120 /nfs/dbraw/zinc/08/21/20/953082120.db2.gz GWLYEGRCLJHXOM-BIWSTMPVSA-N -1 1 382.472 1.948 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)[C@]23C[C@H]2CCCC3)CCN1c1nccnc1-c1nnn[n-]1 ZINC001571212038 953082593 /nfs/dbraw/zinc/08/25/93/953082593.db2.gz HPEJYJZEFGEISP-ZYKCCNLVSA-N -1 1 382.472 1.711 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)[C@]23C[C@H]2CCCC3)CCN1c1nccnc1-c1nn[n-]n1 ZINC001571212038 953082595 /nfs/dbraw/zinc/08/25/95/953082595.db2.gz HPEJYJZEFGEISP-ZYKCCNLVSA-N -1 1 382.472 1.711 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)C2CC3(CC3)C2)CCN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001571212056 953083529 /nfs/dbraw/zinc/08/35/29/953083529.db2.gz ICEVUNCZNHYPPW-DZGCQCFKSA-N -1 1 382.472 1.629 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)C2CC3(CC3)C2)CCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001571212056 953083534 /nfs/dbraw/zinc/08/35/34/953083534.db2.gz ICEVUNCZNHYPPW-DZGCQCFKSA-N -1 1 382.472 1.629 20 0 GDADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H]1CCN(C(=O)C23CCC(CC2)C3)C1 ZINC001571212053 953083772 /nfs/dbraw/zinc/08/37/72/953083772.db2.gz HXUIJSHGVSHAQJ-PNBPBRNGSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)C23CCC(CC2)C3)C1 ZINC001571212053 953083777 /nfs/dbraw/zinc/08/37/77/953083777.db2.gz HXUIJSHGVSHAQJ-PNBPBRNGSA-N -1 1 382.472 1.886 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](C)[C@H](NC(=O)[C@H]3CCCC34CC4)C2)n1 ZINC001571212256 953085678 /nfs/dbraw/zinc/08/56/78/953085678.db2.gz KDCPBKMVMMRCPZ-UXIGCNINSA-N -1 1 382.472 1.486 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](C)[C@H](NC(=O)[C@H]3CCCC34CC4)C2)n1 ZINC001571212256 953085681 /nfs/dbraw/zinc/08/56/81/953085681.db2.gz KDCPBKMVMMRCPZ-UXIGCNINSA-N -1 1 382.472 1.486 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)C1CC2(CCC2)C1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571212212 953086194 /nfs/dbraw/zinc/08/61/94/953086194.db2.gz JBVSUTAJVKGIIQ-CQSZACIVSA-N -1 1 382.472 1.664 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)C1CC2(CCC2)C1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571212212 953086197 /nfs/dbraw/zinc/08/61/97/953086197.db2.gz JBVSUTAJVKGIIQ-CQSZACIVSA-N -1 1 382.472 1.664 20 0 GDADMM C[C@@H]1C[C@H]1C(=O)N1CCCC[C@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571212515 953088752 /nfs/dbraw/zinc/08/87/52/953088752.db2.gz MUBVXEHXDLSEQJ-PJIJBLCYSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H]1C[C@H]1C(=O)N1CCCC[C@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571212515 953088755 /nfs/dbraw/zinc/08/87/55/953088755.db2.gz MUBVXEHXDLSEQJ-PJIJBLCYSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CC(C1CC1)C1CC1 ZINC001571213247 953093146 /nfs/dbraw/zinc/09/31/46/953093146.db2.gz QBAMNRQQWLLDOD-XHDPSFHLSA-N -1 1 382.472 1.884 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CC(C1CC1)C1CC1 ZINC001571213247 953093151 /nfs/dbraw/zinc/09/31/51/953093151.db2.gz QBAMNRQQWLLDOD-XHDPSFHLSA-N -1 1 382.472 1.884 20 0 GDADMM CC1(C)CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1 ZINC001571213563 953096712 /nfs/dbraw/zinc/09/67/12/953096712.db2.gz RSDQLFWFFDDKBB-MELADBBJSA-N -1 1 382.472 1.663 20 0 GDADMM CC1(C)CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1 ZINC001571213563 953096716 /nfs/dbraw/zinc/09/67/16/953096716.db2.gz RSDQLFWFFDDKBB-MELADBBJSA-N -1 1 382.472 1.663 20 0 GDADMM CC1(C)CC[C@H](C(=O)N2C[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]3C2)C1 ZINC001571213696 953097706 /nfs/dbraw/zinc/09/77/06/953097706.db2.gz UUACQTAGMGSUOM-MELADBBJSA-N -1 1 382.472 1.378 20 0 GDADMM CC1(C)CC[C@H](C(=O)N2C[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]3C2)C1 ZINC001571213696 953097707 /nfs/dbraw/zinc/09/77/07/953097707.db2.gz UUACQTAGMGSUOM-MELADBBJSA-N -1 1 382.472 1.378 20 0 GDADMM CN(C(=O)[C@@H]1CCCC2(CC2)C1)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571214088 953099535 /nfs/dbraw/zinc/09/95/35/953099535.db2.gz WOSMIPCHWOBVNI-KGLIPLIRSA-N -1 1 382.472 1.664 20 0 GDADMM C[C@H]1CN(C(=O)C(C2CC2)C2CC2)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571214450 953102442 /nfs/dbraw/zinc/10/24/42/953102442.db2.gz YSYCOAQEHUMGJB-FZMZJTMJSA-N -1 1 382.472 1.164 20 0 GDADMM O=C(CC1CCCC1)N[C@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571217289 953107207 /nfs/dbraw/zinc/10/72/07/953107207.db2.gz DUHVUOPZDXEWRP-HNNXBMFYSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(CC1CCCC1)N[C@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001571217289 953107210 /nfs/dbraw/zinc/10/72/10/953107210.db2.gz DUHVUOPZDXEWRP-HNNXBMFYSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(NC1CCN(c2nccnc2-c2nnn[n-]2)CC1)[C@H]1CC2CCC1CC2 ZINC001571217716 953110848 /nfs/dbraw/zinc/11/08/48/953110848.db2.gz JBZXKUSNXDBSAS-PIMMBPRGSA-N -1 1 382.472 1.568 20 0 GDADMM O=C(NC1CCN(c2nccnc2-c2nn[n-]n2)CC1)[C@H]1CC2CCC1CC2 ZINC001571217716 953110851 /nfs/dbraw/zinc/11/08/51/953110851.db2.gz JBZXKUSNXDBSAS-PIMMBPRGSA-N -1 1 382.472 1.568 20 0 GDADMM O=C([C@@H]1CC2CCC1CC2)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571218011 953112113 /nfs/dbraw/zinc/11/21/13/953112113.db2.gz KLLBWQYXHQWXFQ-NEXFUWMNSA-N -1 1 382.472 1.886 20 0 GDADMM O=C([C@@H]1CC2CCC1CC2)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571218011 953112115 /nfs/dbraw/zinc/11/21/15/953112115.db2.gz KLLBWQYXHQWXFQ-NEXFUWMNSA-N -1 1 382.472 1.886 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C12CCC(CC1)C2 ZINC001571218396 953114655 /nfs/dbraw/zinc/11/46/55/953114655.db2.gz MSAOGVWCFHNGAJ-SHYRYGCCSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C12CCC(CC1)C2 ZINC001571218396 953114659 /nfs/dbraw/zinc/11/46/59/953114659.db2.gz MSAOGVWCFHNGAJ-SHYRYGCCSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(NC[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)[C@@H]1C[C@H]1C1CCC1 ZINC001571218428 953115433 /nfs/dbraw/zinc/11/54/33/953115433.db2.gz NKLXKXPWBAYFIM-VHDGCEQUSA-N -1 1 382.472 1.426 20 0 GDADMM O=C(NC[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)[C@@H]1C[C@H]1C1CCC1 ZINC001571218428 953115437 /nfs/dbraw/zinc/11/54/37/953115437.db2.gz NKLXKXPWBAYFIM-VHDGCEQUSA-N -1 1 382.472 1.426 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)[C@@H]1C[C@@H]1C1CCCC1 ZINC001571218488 953116255 /nfs/dbraw/zinc/11/62/55/953116255.db2.gz PDGTXHAAGHLTPD-NMFUWQPSSA-N -1 1 382.472 1.790 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)[C@@H]1C[C@@H]1C1CCCC1 ZINC001571218488 953116257 /nfs/dbraw/zinc/11/62/57/953116257.db2.gz PDGTXHAAGHLTPD-NMFUWQPSSA-N -1 1 382.472 1.790 20 0 GDADMM O=C(N[C@@H]1CC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1)C1CCCC1 ZINC001571218769 953118803 /nfs/dbraw/zinc/11/88/03/953118803.db2.gz QTMSQRRMFOFOGX-RBSFLKMASA-N -1 1 382.472 1.568 20 0 GDADMM O=C(N[C@@H]1CC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1)C1CCCC1 ZINC001571218769 953118805 /nfs/dbraw/zinc/11/88/05/953118805.db2.gz QTMSQRRMFOFOGX-RBSFLKMASA-N -1 1 382.472 1.568 20 0 GDADMM CC(C)c1cc(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)on1 ZINC001571222114 953131573 /nfs/dbraw/zinc/13/15/73/953131573.db2.gz CNKVJTREJUDVBF-NSHDSACASA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571222130 953131646 /nfs/dbraw/zinc/13/16/46/953131646.db2.gz CWEPVNKVURSFFG-NSHDSACASA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571222130 953131648 /nfs/dbraw/zinc/13/16/48/953131648.db2.gz CWEPVNKVURSFFG-NSHDSACASA-N -1 1 383.416 1.167 20 0 GDADMM CCc1nc(C)c(C(=O)N2CCC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)o1 ZINC001571222301 953133227 /nfs/dbraw/zinc/13/32/27/953133227.db2.gz DMDJKCGESVFYBB-LLVKDONJSA-N -1 1 383.416 1.232 20 0 GDADMM CCc1nc(C)c(C(=O)N2CCC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)o1 ZINC001571222301 953133229 /nfs/dbraw/zinc/13/32/29/953133229.db2.gz DMDJKCGESVFYBB-LLVKDONJSA-N -1 1 383.416 1.232 20 0 GDADMM CCc1nc(C(=O)N[C@H]2CCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)co1 ZINC001571222337 953133472 /nfs/dbraw/zinc/13/34/72/953133472.db2.gz GMWKYLZHFJHRGW-MNOVXSKESA-N -1 1 383.416 1.218 20 0 GDADMM CCc1nc(C(=O)N[C@H]2CCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)co1 ZINC001571222337 953133476 /nfs/dbraw/zinc/13/34/76/953133476.db2.gz GMWKYLZHFJHRGW-MNOVXSKESA-N -1 1 383.416 1.218 20 0 GDADMM CCN(C(=O)c1nc(C)oc1C)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571222546 953135671 /nfs/dbraw/zinc/13/56/71/953135671.db2.gz IRXGIGDXRMVRSN-GFCCVEGCSA-N -1 1 383.416 1.003 20 0 GDADMM CCN(C(=O)c1nc(C)oc1C)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571222546 953135674 /nfs/dbraw/zinc/13/56/74/953135674.db2.gz IRXGIGDXRMVRSN-GFCCVEGCSA-N -1 1 383.416 1.003 20 0 GDADMM CCc1nc(N[C@H]2CN(C(=O)c3nocc3C)C[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571223301 953142937 /nfs/dbraw/zinc/14/29/37/953142937.db2.gz SPKGMHNSFOVAOB-CABZTGNLSA-N -1 1 383.416 1.088 20 0 GDADMM CCc1nc(N[C@H]2CN(C(=O)c3nocc3C)C[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571223301 953142941 /nfs/dbraw/zinc/14/29/41/953142941.db2.gz SPKGMHNSFOVAOB-CABZTGNLSA-N -1 1 383.416 1.088 20 0 GDADMM CC(C)c1cc(C(=O)NCC2CC(Nc3cncc(-c4nnn[n-]4)n3)C2)on1 ZINC001571223501 953144663 /nfs/dbraw/zinc/14/46/63/953144663.db2.gz RRQMLWWSFQFFCK-UHFFFAOYSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1cc(C(=O)NCC2CC(Nc3cncc(-c4nn[n-]n4)n3)C2)on1 ZINC001571223501 953144666 /nfs/dbraw/zinc/14/46/66/953144666.db2.gz RRQMLWWSFQFFCK-UHFFFAOYSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)(C)c1cc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)no1 ZINC001571224121 953149448 /nfs/dbraw/zinc/14/94/48/953149448.db2.gz YPJIGTRWCNNSAU-JTQLQIEISA-N -1 1 383.416 1.269 20 0 GDADMM CC(C)(C)c1cc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)no1 ZINC001571224121 953149452 /nfs/dbraw/zinc/14/94/52/953149452.db2.gz YPJIGTRWCNNSAU-JTQLQIEISA-N -1 1 383.416 1.269 20 0 GDADMM CC(C)c1nocc1C(=O)N1CC[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571224139 953149563 /nfs/dbraw/zinc/14/95/63/953149563.db2.gz YYTMFOLFPAKQFC-LLVKDONJSA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1nocc1C(=O)N1CC[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571224139 953149565 /nfs/dbraw/zinc/14/95/65/953149565.db2.gz YYTMFOLFPAKQFC-LLVKDONJSA-N -1 1 383.416 1.119 20 0 GDADMM Cc1nc(C(=O)N[C@H]2CC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)CC2)co1 ZINC001571225267 953153079 /nfs/dbraw/zinc/15/30/79/953153079.db2.gz IXHDTHQRLJWDMG-HAQNSBGRSA-N -1 1 383.416 1.354 20 0 GDADMM Cc1nc(C(=O)N[C@H]2CC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)CC2)co1 ZINC001571225267 953153082 /nfs/dbraw/zinc/15/30/82/953153082.db2.gz IXHDTHQRLJWDMG-HAQNSBGRSA-N -1 1 383.416 1.354 20 0 GDADMM Cc1nc(C)c(C(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)[C@H](C)C2)o1 ZINC001571225886 953154503 /nfs/dbraw/zinc/15/45/03/953154503.db2.gz NNGSXPNBCNLDKP-BXKDBHETSA-N -1 1 383.416 1.224 20 0 GDADMM Cc1nc(C)c(C(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)[C@H](C)C2)o1 ZINC001571225886 953154508 /nfs/dbraw/zinc/15/45/08/953154508.db2.gz NNGSXPNBCNLDKP-BXKDBHETSA-N -1 1 383.416 1.224 20 0 GDADMM Cc1ncoc1C(=O)N1CCCC[C@H]1CN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001571225972 953155546 /nfs/dbraw/zinc/15/55/46/953155546.db2.gz PLZRDBPSZMMQKG-LBPRGKRZSA-N -1 1 383.416 1.084 20 0 GDADMM Cc1ncoc1C(=O)N1CCCC[C@H]1CN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001571225972 953155547 /nfs/dbraw/zinc/15/55/47/953155547.db2.gz PLZRDBPSZMMQKG-LBPRGKRZSA-N -1 1 383.416 1.084 20 0 GDADMM Cc1nc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)[C@@H]2C)c(C)o1 ZINC001571226639 953157001 /nfs/dbraw/zinc/15/70/01/953157001.db2.gz UJUMXIMOTXWZKB-BXKDBHETSA-N -1 1 383.416 1.049 20 0 GDADMM Cc1nc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)[C@@H]2C)c(C)o1 ZINC001571226639 953157003 /nfs/dbraw/zinc/15/70/03/953157003.db2.gz UJUMXIMOTXWZKB-BXKDBHETSA-N -1 1 383.416 1.049 20 0 GDADMM Cc1nocc1C(=O)N1CCCCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571228863 953166704 /nfs/dbraw/zinc/16/67/04/953166704.db2.gz WYKZSUQAJHPCRO-GFCCVEGCSA-N -1 1 383.416 1.450 20 0 GDADMM Cc1nocc1C(=O)N1CCCCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571228863 953166708 /nfs/dbraw/zinc/16/67/08/953166708.db2.gz WYKZSUQAJHPCRO-GFCCVEGCSA-N -1 1 383.416 1.450 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)C(C)(C)C(F)(F)F)C2)n1 ZINC001571234623 953203708 /nfs/dbraw/zinc/20/37/08/953203708.db2.gz DITWBXPWULWNHG-VIFPVBQESA-N -1 1 384.366 1.566 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)C(C)(C)C(F)(F)F)C2)n1 ZINC001571234623 953203709 /nfs/dbraw/zinc/20/37/09/953203709.db2.gz DITWBXPWULWNHG-VIFPVBQESA-N -1 1 384.366 1.566 20 0 GDADMM O=C(C1CCOCC1)N1CC[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571234701 953204553 /nfs/dbraw/zinc/20/45/53/953204553.db2.gz GHXSDNFYPVWFDP-SECBINFHSA-N -1 1 383.865 1.416 20 0 GDADMM O=C(C1CCOCC1)N1CC[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571234701 953204555 /nfs/dbraw/zinc/20/45/55/953204555.db2.gz GHXSDNFYPVWFDP-SECBINFHSA-N -1 1 383.865 1.416 20 0 GDADMM COc1ccc(F)cc1C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571234843 953206045 /nfs/dbraw/zinc/20/60/45/953206045.db2.gz KDHPMXMCOAOIQE-NSHDSACASA-N -1 1 384.375 1.131 20 0 GDADMM COc1ccc(F)cc1C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571234843 953206052 /nfs/dbraw/zinc/20/60/52/953206052.db2.gz KDHPMXMCOAOIQE-NSHDSACASA-N -1 1 384.375 1.131 20 0 GDADMM CCOc1ccccc1[C@@H](CC(=O)Nc1n[nH]cc1-c1nnn[n-]1)NC(C)=O ZINC001571235337 953211222 /nfs/dbraw/zinc/21/12/22/953211222.db2.gz ALWPIXLKYFDPAD-CYBMUJFWSA-N -1 1 384.400 1.195 20 0 GDADMM CCOc1ccccc1[C@@H](CC(=O)Nc1n[nH]cc1-c1nn[n-]n1)NC(C)=O ZINC001571235337 953211224 /nfs/dbraw/zinc/21/12/24/953211224.db2.gz ALWPIXLKYFDPAD-CYBMUJFWSA-N -1 1 384.400 1.195 20 0 GDADMM O=C(NC1CCC(Oc2ncccc2-c2nn[n-]n2)CC1)c1coc(CO)c1 ZINC001571235695 953215287 /nfs/dbraw/zinc/21/52/87/953215287.db2.gz NWEWWXVLWUFLOT-UHFFFAOYSA-N -1 1 384.396 1.467 20 0 GDADMM COc1ccc2c(c1)CN(C(=O)c1cc(-c3nn[n-]n3)c(SC)[nH]c1=O)C2 ZINC001571241860 953250281 /nfs/dbraw/zinc/25/02/81/953250281.db2.gz NSKCMYJOZCIBNU-UHFFFAOYSA-N -1 1 384.421 1.854 20 0 GDADMM CC1(C)CN(c2cncc(-c3nnn[n-]3)n2)CC[C@H]1NC(=O)C1=COCCC1 ZINC001571242913 953260891 /nfs/dbraw/zinc/26/08/91/953260891.db2.gz QXQUHUIKVNSHOR-CQSZACIVSA-N -1 1 384.444 1.072 20 0 GDADMM CC1(C)CN(c2cncc(-c3nn[n-]n3)n2)CC[C@H]1NC(=O)C1=COCCC1 ZINC001571242913 953260894 /nfs/dbraw/zinc/26/08/94/953260894.db2.gz QXQUHUIKVNSHOR-CQSZACIVSA-N -1 1 384.444 1.072 20 0 GDADMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CCN(C(=O)C2=COCCC2)CC1 ZINC001571242987 953261995 /nfs/dbraw/zinc/26/19/95/953261995.db2.gz SKHMNTCWHIPLRV-LBPRGKRZSA-N -1 1 384.444 1.390 20 0 GDADMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CCN(C(=O)C2=COCCC2)CC1 ZINC001571242987 953261998 /nfs/dbraw/zinc/26/19/98/953261998.db2.gz SKHMNTCWHIPLRV-LBPRGKRZSA-N -1 1 384.444 1.390 20 0 GDADMM Cc1cc(C)c(C(=O)N(C)[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)s1 ZINC001571244744 953266526 /nfs/dbraw/zinc/26/65/26/953266526.db2.gz HHGAFDOUMDMBFQ-LBPRGKRZSA-N -1 1 384.469 1.686 20 0 GDADMM Cc1cc(C)c(C(=O)N(C)[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)s1 ZINC001571244744 953266529 /nfs/dbraw/zinc/26/65/29/953266529.db2.gz HHGAFDOUMDMBFQ-LBPRGKRZSA-N -1 1 384.469 1.686 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)[C@@H](C)C2)s1 ZINC001571244889 953268017 /nfs/dbraw/zinc/26/80/17/953268017.db2.gz LGDYPNZVOKWBFC-JQWIXIFHSA-N -1 1 384.469 1.814 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)[C@@H](C)C2)s1 ZINC001571244889 953268021 /nfs/dbraw/zinc/26/80/21/953268021.db2.gz LGDYPNZVOKWBFC-JQWIXIFHSA-N -1 1 384.469 1.814 20 0 GDADMM CCc1ccsc1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001571245263 953271362 /nfs/dbraw/zinc/27/13/62/953271362.db2.gz QTMMCIHQTIWFSV-ZYHUDNBSSA-N -1 1 384.469 1.535 20 0 GDADMM Cc1cc(C(=O)NC[C@H]2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)c(C)s1 ZINC001571245492 953273545 /nfs/dbraw/zinc/27/35/45/953273545.db2.gz SPIIXVFLRLFRCA-TXEJJXNPSA-N -1 1 384.469 1.956 20 0 GDADMM Cc1cc(C(=O)NC[C@H]2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)c(C)s1 ZINC001571245492 953273547 /nfs/dbraw/zinc/27/35/47/953273547.db2.gz SPIIXVFLRLFRCA-TXEJJXNPSA-N -1 1 384.469 1.956 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccsc1 ZINC001571245656 953275412 /nfs/dbraw/zinc/27/54/12/953275412.db2.gz KGJRWESUVPQTKR-YPMHNXCESA-N -1 1 384.469 1.607 20 0 GDADMM Cc1nsc(N2CC[C@@H](CNC(=O)c3cccc(C)n3)C2)c1-c1nn[n-]n1 ZINC001571245714 953276043 /nfs/dbraw/zinc/27/60/43/953276043.db2.gz YLUZJMKXXPEGCA-LBPRGKRZSA-N -1 1 384.469 1.591 20 0 GDADMM Cc1sccc1CC(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)[C@H]1C ZINC001571247574 953283639 /nfs/dbraw/zinc/28/36/39/953283639.db2.gz AJLXOZVUEKDISX-ZWNOBZJWSA-N -1 1 384.469 1.671 20 0 GDADMM Cc1sccc1CC(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)[C@H]1C ZINC001571247574 953283644 /nfs/dbraw/zinc/28/36/44/953283644.db2.gz AJLXOZVUEKDISX-ZWNOBZJWSA-N -1 1 384.469 1.671 20 0 GDADMM Cc1sccc1CC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C ZINC001571247981 953288294 /nfs/dbraw/zinc/28/82/94/953288294.db2.gz KJIYQGPRXFNRFA-MFKMUULPSA-N -1 1 384.469 1.353 20 0 GDADMM Cc1sccc1CC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C ZINC001571247981 953288296 /nfs/dbraw/zinc/28/82/96/953288296.db2.gz KJIYQGPRXFNRFA-MFKMUULPSA-N -1 1 384.469 1.353 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CCCC1 ZINC001571249037 953300731 /nfs/dbraw/zinc/30/07/31/953300731.db2.gz BOKRCNYUMBKWBL-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CCCC1 ZINC001571249037 953300735 /nfs/dbraw/zinc/30/07/35/953300735.db2.gz BOKRCNYUMBKWBL-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CC[C@@H](NC(=O)C2C(C)(C)C2(C)C)CN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571249229 953302665 /nfs/dbraw/zinc/30/26/65/953302665.db2.gz GKBJKRMZJBMSIR-NWDGAFQWSA-N -1 1 384.488 1.812 20 0 GDADMM C[C@H]1CC[C@@H](NC(=O)C2C(C)(C)C2(C)C)CN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571249229 953302670 /nfs/dbraw/zinc/30/26/70/953302670.db2.gz GKBJKRMZJBMSIR-NWDGAFQWSA-N -1 1 384.488 1.812 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1)C1CCC1 ZINC001571249202 953303012 /nfs/dbraw/zinc/30/30/12/953303012.db2.gz FWLJVOYCOPAQOO-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1)C1CCC1 ZINC001571249202 953303016 /nfs/dbraw/zinc/30/30/16/953303016.db2.gz FWLJVOYCOPAQOO-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CC[C@@H]1C(=O)NC[C@@H]1CCCCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571251385 953316796 /nfs/dbraw/zinc/31/67/96/953316796.db2.gz WVCLNGIPHODVIK-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CC[C@@H]1C(=O)NC[C@@H]1CCCCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571251385 953316803 /nfs/dbraw/zinc/31/68/03/953316803.db2.gz WVCLNGIPHODVIK-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CN(C)c2nccnc2-c2nnn[n-]2)C1)C1CCCC1 ZINC001571251520 953318761 /nfs/dbraw/zinc/31/87/61/953318761.db2.gz ZJRDRZDAFQKYMK-KGLIPLIRSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CN(C)c2nccnc2-c2nn[n-]n2)C1)C1CCCC1 ZINC001571251520 953318766 /nfs/dbraw/zinc/31/87/66/953318766.db2.gz ZJRDRZDAFQKYMK-KGLIPLIRSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001571252849 953333153 /nfs/dbraw/zinc/33/31/53/953333153.db2.gz WZVDCIWQEVVRTF-MGPQQGTHSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001571252849 953333156 /nfs/dbraw/zinc/33/31/56/953333156.db2.gz WZVDCIWQEVVRTF-MGPQQGTHSA-N -1 1 384.488 1.672 20 0 GDADMM O=C(Cc1ccccc1Cl)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571254690 953340685 /nfs/dbraw/zinc/34/06/85/953340685.db2.gz GDZSJJJRLPOZMU-LBPRGKRZSA-N -1 1 384.831 1.248 20 0 GDADMM O=C(Cc1ccc(Cl)cc1)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571256257 953367832 /nfs/dbraw/zinc/36/78/32/953367832.db2.gz TYBJTXZTTZPIBJ-JOCQHMNTSA-N -1 1 384.831 1.612 20 0 GDADMM O=C(Cc1ccc(Cl)cc1)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571256257 953367841 /nfs/dbraw/zinc/36/78/41/953367841.db2.gz TYBJTXZTTZPIBJ-JOCQHMNTSA-N -1 1 384.831 1.612 20 0 GDADMM COC(=O)c1cc(NC(=O)CN2C[C@@H](C(=O)[O-])CC[C@H]2C)cc(C(=O)OC)c1 ZINC000521050681 953553468 /nfs/dbraw/zinc/55/34/68/953553468.db2.gz YRFYMXNCGGROOP-NEPJUHHUSA-N -1 1 392.408 1.383 20 0 GDADMM C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N([C@@H]2CCN(CC(=O)[O-])C2=O)[C@H]1C ZINC001589311943 953794755 /nfs/dbraw/zinc/79/47/55/953794755.db2.gz FDKOARUWMBHBRP-LXTVHRRPSA-N -1 1 383.489 1.686 20 0 GDADMM CN(C)[C@@H](CNC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O)c1ccsc1 ZINC001593691784 954042352 /nfs/dbraw/zinc/04/23/52/954042352.db2.gz ZHCOPSVLGQROIT-KBPBESRZSA-N -1 1 382.486 1.116 20 0 GDADMM CC(C)[C@H](CNC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1)N1CCC(C)CC1 ZINC001589353159 954100480 /nfs/dbraw/zinc/10/04/80/954100480.db2.gz MOGGXEUPKBXMOO-HNNXBMFYSA-N -1 1 388.530 1.139 20 0 GDADMM C[C@@H](NC(=O)N1CCC[C@@H](CN2CCOCC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655904016 954286278 /nfs/dbraw/zinc/28/62/78/954286278.db2.gz QKTZGAWDGRQKKQ-LTIDMASMSA-N -1 1 381.517 1.876 20 0 GDADMM O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCC[N@@H+]1C[C@H](O)c1ccc(Cl)cc1 ZINC001594895727 954562889 /nfs/dbraw/zinc/56/28/89/954562889.db2.gz HKXFMMUFKBNVJH-RWMBFGLXSA-N -1 1 394.777 1.970 20 0 GDADMM O=C([O-])[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@H]2CCCc3[nH]ncc32)C1=O ZINC000682720688 954603293 /nfs/dbraw/zinc/60/32/93/954603293.db2.gz AOIYVOSISLHWHS-XKQJLSEDSA-N -1 1 382.420 1.373 20 0 GDADMM CN1CCN(Cc2cccc(NC(=O)C3(CC(=O)[O-])CCOCC3)c2)CC1 ZINC001593784648 954688585 /nfs/dbraw/zinc/68/85/85/954688585.db2.gz ONDNWEJDDVCKNC-UHFFFAOYSA-N -1 1 375.469 1.644 20 0 GDADMM O=C([O-])[C@H]1CCCN(c2ccc(CNCC[S@@](=O)CC(F)(F)F)o2)C1 ZINC001594915004 954737162 /nfs/dbraw/zinc/73/71/62/954737162.db2.gz CKJDDIFHNWHQPD-JPQMIFPKSA-N -1 1 382.404 1.981 20 0 GDADMM O=C([O-])[C@@H]1COCCN1C(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)[nH]n1 ZINC001594957940 954995772 /nfs/dbraw/zinc/99/57/72/954995772.db2.gz VWNYGFGGOADKSO-ZDUSSCGKSA-N -1 1 385.298 1.901 20 0 GDADMM CC[C@@H](CNC(=O)c1cn[nH]c1[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001589550624 955212817 /nfs/dbraw/zinc/21/28/17/955212817.db2.gz AGLDQDQTBGSDQQ-RYUDHWBXSA-N -1 1 380.445 1.975 20 0 GDADMM CC(C)CN1CCO[C@H](CNC(=O)NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)C1 ZINC001603028920 972087650 /nfs/dbraw/zinc/08/76/50/972087650.db2.gz HOHYUIXMXWBHHX-YJTLQXIOSA-N -1 1 383.489 1.055 20 0 GDADMM COC(=O)CCN(CC(=O)[O-])S(=O)(=O)c1cc(C(F)(F)F)ccc1O ZINC001593842223 955375261 /nfs/dbraw/zinc/37/52/61/955375261.db2.gz UOCSFUOWLZNQQN-UHFFFAOYSA-N -1 1 385.316 1.049 20 0 GDADMM C[C@H](CNC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1)N1CCN(C)CC1 ZINC001589049597 955646601 /nfs/dbraw/zinc/64/66/01/955646601.db2.gz SDRDFBFQSUWEKC-MRXNPFEDSA-N -1 1 388.512 1.910 20 0 GDADMM C[C@H](CNC(=O)Nc1cc(C(=O)[O-])ccc1Br)N1CCN(C)CC1 ZINC001589057791 955712353 /nfs/dbraw/zinc/71/23/53/955712353.db2.gz ZDMQSQNYFSIYGS-LLVKDONJSA-N -1 1 399.289 1.905 20 0 GDADMM O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cc1ccccc1F ZINC000851699440 955808414 /nfs/dbraw/zinc/80/84/14/955808414.db2.gz CMNJBURHCXGBIQ-DGCLKSJQSA-N -1 1 376.306 1.491 20 0 GDADMM O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cnn2ccccc12 ZINC000851704292 955831496 /nfs/dbraw/zinc/83/14/96/955831496.db2.gz VDBFYKXOUGGJFV-CMPLNLGQSA-N -1 1 384.314 1.071 20 0 GDADMM COC(=O)c1sccc1CN1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001593898403 955846211 /nfs/dbraw/zinc/84/62/11/955846211.db2.gz QYQKAZBEBFQAAW-ZJUUUORDSA-N 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Cn1cnnc1CCCNC(=O)c1cc(I)ccc1[O-] ZINC000383390310 532295937 /nfs/dbraw/zinc/29/59/37/532295937.db2.gz RRRKMFPHBHOYMA-UHFFFAOYSA-N -1 1 386.193 1.488 20 0 GDADMM COCC[C@H](COC)NC(=O)c1ccc(I)c([O-])c1 ZINC000388934482 532297130 /nfs/dbraw/zinc/29/71/30/532297130.db2.gz MGIPZJSLKMXSOG-SNVBAGLBSA-N -1 1 379.194 1.778 20 0 GDADMM CC(C)[C@](C)(NC(=O)c1cc(I)ccc1[O-])C(N)=O ZINC000394272682 532301347 /nfs/dbraw/zinc/30/13/47/532301347.db2.gz YDGVWLVCKZZJMS-ZDUSSCGKSA-N -1 1 376.194 1.627 20 0 GDADMM C[C@@H]1CC[C@@]2(CCN(S(=O)(=O)CCCS(=O)(=O)[N-]CC(F)F)C2)C1 ZINC000349456440 532289947 /nfs/dbraw/zinc/28/99/47/532289947.db2.gz JBVAQZQRUGJHOC-TZMCWYRMSA-N -1 1 388.502 1.403 20 0 GDADMM CC[C@H]1[C@@H](C)CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(F)cn1 ZINC000349456433 532289994 /nfs/dbraw/zinc/28/99/94/532289994.db2.gz JBFOWLTYMRYXHO-JSGCOSHPSA-N -1 1 393.506 1.803 20 0 GDADMM CC[C@@H]1[C@H](C)CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1n[nH]c(C)c1C ZINC000349457649 532290587 /nfs/dbraw/zinc/29/05/87/532290587.db2.gz KFWJKVSTBMPMRA-BXUZGUMPSA-N -1 1 392.547 1.609 20 0 GDADMM CCOC[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000736611136 598875854 /nfs/dbraw/zinc/87/58/54/598875854.db2.gz MVOVNMIJFRKKES-NSHDSACASA-N -1 1 385.877 1.957 20 0 GDADMM CCOC[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000736611136 598875855 /nfs/dbraw/zinc/87/58/55/598875855.db2.gz MVOVNMIJFRKKES-NSHDSACASA-N -1 1 385.877 1.957 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCc2cncnc2C1 ZINC000738354700 598876277 /nfs/dbraw/zinc/87/62/77/598876277.db2.gz JDGPAUQRRWJPER-UHFFFAOYSA-N -1 1 377.817 1.057 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCc2cncnc2C1 ZINC000738354700 598876278 /nfs/dbraw/zinc/87/62/78/598876278.db2.gz JDGPAUQRRWJPER-UHFFFAOYSA-N -1 1 377.817 1.057 20 0 GDADMM CN1CC[C@H](NC(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)C1=O ZINC000736856211 598890942 /nfs/dbraw/zinc/89/09/42/598890942.db2.gz OFDXEBIOHJFFCH-ZDUSSCGKSA-N -1 1 397.464 1.625 20 0 GDADMM CC(C)[C@@H](C)CNC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000735702679 598908200 /nfs/dbraw/zinc/90/82/00/598908200.db2.gz QLOBCTZVFXWLQR-LBPRGKRZSA-N -1 1 388.476 1.856 20 0 GDADMM CC(=O)N(c1nc(Cn2nc(C)c(C)c(-c3nn[n-]n3)c2=O)cs1)C1CC1 ZINC000735461288 598925839 /nfs/dbraw/zinc/92/58/39/598925839.db2.gz PCNRKBKALDEKEJ-UHFFFAOYSA-N -1 1 386.441 1.060 20 0 GDADMM Cc1cc(CN2CCN(c3c4ccccc4nnc3-c3nnn[n-]3)CC2)no1 ZINC000737263833 598935032 /nfs/dbraw/zinc/93/50/32/598935032.db2.gz WBMLRCLYJHATQZ-UHFFFAOYSA-N -1 1 377.412 1.429 20 0 GDADMM Cc1cc(CN2CCN(c3c4ccccc4nnc3-c3nn[n-]n3)CC2)no1 ZINC000737263833 598935034 /nfs/dbraw/zinc/93/50/34/598935034.db2.gz WBMLRCLYJHATQZ-UHFFFAOYSA-N -1 1 377.412 1.429 20 0 GDADMM O=C(Cn1cc(Nc2c3ccccc3nnc2-c2nnn[n-]2)cn1)NC1CC1 ZINC000737986455 598937179 /nfs/dbraw/zinc/93/71/79/598937179.db2.gz KCKVMKJOXRPNAM-UHFFFAOYSA-N -1 1 376.384 1.029 20 0 GDADMM O=C(Cn1cc(Nc2c3ccccc3nnc2-c2nn[n-]n2)cn1)NC1CC1 ZINC000737986455 598937180 /nfs/dbraw/zinc/93/71/80/598937180.db2.gz KCKVMKJOXRPNAM-UHFFFAOYSA-N -1 1 376.384 1.029 20 0 GDADMM CN(c1cccnn1)C1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000736843306 598967123 /nfs/dbraw/zinc/96/71/23/598967123.db2.gz KOUFAZUILOATBJ-UHFFFAOYSA-N -1 1 388.439 1.705 20 0 GDADMM CN(c1cccnn1)C1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000736843306 598967125 /nfs/dbraw/zinc/96/71/25/598967125.db2.gz KOUFAZUILOATBJ-UHFFFAOYSA-N -1 1 388.439 1.705 20 0 GDADMM O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738175578 598982335 /nfs/dbraw/zinc/98/23/35/598982335.db2.gz PDPJOSLNWLXZLM-UHFFFAOYSA-N -1 1 380.336 1.510 20 0 GDADMM O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738175578 598982337 /nfs/dbraw/zinc/98/23/37/598982337.db2.gz PDPJOSLNWLXZLM-UHFFFAOYSA-N -1 1 380.336 1.510 20 0 GDADMM O=C(NCc1ccc(OCC(F)(F)F)nc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738108009 598993330 /nfs/dbraw/zinc/99/33/30/598993330.db2.gz CNTINBNVSKOWKR-UHFFFAOYSA-N -1 1 379.302 1.528 20 0 GDADMM O=C(NCc1ccc(OCC(F)(F)F)nc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738108009 598993331 /nfs/dbraw/zinc/99/33/31/598993331.db2.gz CNTINBNVSKOWKR-UHFFFAOYSA-N -1 1 379.302 1.528 20 0 GDADMM O=C(Nc1cccc(OCCn2cncn2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738187610 598994713 /nfs/dbraw/zinc/99/47/13/598994713.db2.gz XCOIDMBPTZWDOR-UHFFFAOYSA-N -1 1 377.368 1.185 20 0 GDADMM O=C(Nc1cccc(OCCn2cncn2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738187610 598994714 /nfs/dbraw/zinc/99/47/14/598994714.db2.gz XCOIDMBPTZWDOR-UHFFFAOYSA-N -1 1 377.368 1.185 20 0 GDADMM CCOC(=O)C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)cc1 ZINC000736593301 598998625 /nfs/dbraw/zinc/99/86/25/598998625.db2.gz GYDHBBGLBSMCIT-HNNXBMFYSA-N -1 1 384.371 1.825 20 0 GDADMM CCOC(=O)C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)cc1 ZINC000736593301 598998627 /nfs/dbraw/zinc/99/86/27/598998627.db2.gz GYDHBBGLBSMCIT-HNNXBMFYSA-N -1 1 384.371 1.825 20 0 GDADMM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cccc(-c4nn[nH]n4)c3)cc21 ZINC000486838122 599018094 /nfs/dbraw/zinc/01/80/94/599018094.db2.gz PTTYYNVYGOAGCC-UHFFFAOYSA-N -1 1 384.421 1.577 20 0 GDADMM O=C(c1ccccc1)N1CCCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000738279542 599022233 /nfs/dbraw/zinc/02/22/33/599022233.db2.gz VXGTWYOHYPRTCA-UHFFFAOYSA-N -1 1 377.408 1.250 20 0 GDADMM O=C(c1ccccc1)N1CCCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000738279542 599022235 /nfs/dbraw/zinc/02/22/35/599022235.db2.gz VXGTWYOHYPRTCA-UHFFFAOYSA-N -1 1 377.408 1.250 20 0 GDADMM COc1cccc(N2CC[C@@H](CNC(=O)c3ccc(-c4nnn[n-]4)nc3)C2)c1 ZINC000737141428 599028634 /nfs/dbraw/zinc/02/86/34/599028634.db2.gz WJHJSAXJNKFYQI-ZDUSSCGKSA-N -1 1 379.424 1.527 20 0 GDADMM COc1cccc(N2CC[C@@H](CNC(=O)c3ccc(-c4nn[n-]n4)nc3)C2)c1 ZINC000737141428 599028636 /nfs/dbraw/zinc/02/86/36/599028636.db2.gz WJHJSAXJNKFYQI-ZDUSSCGKSA-N -1 1 379.424 1.527 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC[C@@H](O)c2ccc(C)o2)cc1-c1nn[n-]n1 ZINC000737187325 599056222 /nfs/dbraw/zinc/05/62/22/599056222.db2.gz QFJSBCLOKGWGHN-SNVBAGLBSA-N -1 1 376.398 1.054 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCSC[C@H]1c1ccccc1 ZINC000738355252 599085786 /nfs/dbraw/zinc/08/57/86/599085786.db2.gz LYNZUADRCYULJV-HNNXBMFYSA-N -1 1 388.478 1.741 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCSC[C@H]1c1ccccc1 ZINC000738355252 599085789 /nfs/dbraw/zinc/08/57/89/599085789.db2.gz LYNZUADRCYULJV-HNNXBMFYSA-N -1 1 388.478 1.741 20 0 GDADMM Cc1nsc(N2CCCN(c3snc(Cl)c3-c3nnn[n-]3)CC2)n1 ZINC000822530439 599088219 /nfs/dbraw/zinc/08/82/19/599088219.db2.gz BIMODIVLDNSQHP-UHFFFAOYSA-N -1 1 383.894 1.853 20 0 GDADMM Cc1nsc(N2CCCN(c3snc(Cl)c3-c3nn[n-]n3)CC2)n1 ZINC000822530439 599088221 /nfs/dbraw/zinc/08/82/21/599088221.db2.gz BIMODIVLDNSQHP-UHFFFAOYSA-N -1 1 383.894 1.853 20 0 GDADMM O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC000738038816 599109851 /nfs/dbraw/zinc/10/98/51/599109851.db2.gz JYZJBELIPCHUBN-OAHLLOKOSA-N -1 1 378.314 1.442 20 0 GDADMM O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC000738038816 599109853 /nfs/dbraw/zinc/10/98/53/599109853.db2.gz JYZJBELIPCHUBN-OAHLLOKOSA-N -1 1 378.314 1.442 20 0 GDADMM Cc1ccccc1C[C@H](C)NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737426084 599137175 /nfs/dbraw/zinc/13/71/75/599137175.db2.gz JFQOGBABTZSENM-ZDUSSCGKSA-N -1 1 380.408 1.474 20 0 GDADMM Cc1ccccc1C[C@H](C)NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737426084 599137177 /nfs/dbraw/zinc/13/71/77/599137177.db2.gz JFQOGBABTZSENM-ZDUSSCGKSA-N -1 1 380.408 1.474 20 0 GDADMM O=C(OCc1nc(COc2ccc(F)cc2)no1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738244383 599139699 /nfs/dbraw/zinc/13/96/99/599139699.db2.gz HPIAFZLIMKIHDD-UHFFFAOYSA-N -1 1 397.326 1.720 20 0 GDADMM O=C(OCc1nc(COc2ccc(F)cc2)no1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738244383 599139701 /nfs/dbraw/zinc/13/97/01/599139701.db2.gz HPIAFZLIMKIHDD-UHFFFAOYSA-N -1 1 397.326 1.720 20 0 GDADMM CC(C)[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000736223155 599140470 /nfs/dbraw/zinc/14/04/70/599140470.db2.gz HXEWOYMVCIHCIN-ZENOOKHLSA-N -1 1 386.456 1.948 20 0 GDADMM CC(C)[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000736223155 599140472 /nfs/dbraw/zinc/14/04/72/599140472.db2.gz HXEWOYMVCIHCIN-ZENOOKHLSA-N -1 1 386.456 1.948 20 0 GDADMM COc1cccc(CNC(=O)[C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737130173 599141624 /nfs/dbraw/zinc/14/16/24/599141624.db2.gz DGZRACWHZVMXGX-NSHDSACASA-N -1 1 382.380 1.132 20 0 GDADMM COc1cccc(CNC(=O)[C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737130173 599141625 /nfs/dbraw/zinc/14/16/25/599141625.db2.gz DGZRACWHZVMXGX-NSHDSACASA-N -1 1 382.380 1.132 20 0 GDADMM CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1-c1ccc(-c2nnn[n-]2)o1 ZINC000821564005 599155773 /nfs/dbraw/zinc/15/57/73/599155773.db2.gz PKXJCCHFXNMSRY-UHFFFAOYSA-N -1 1 387.425 1.747 20 0 GDADMM CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1-c1ccc(-c2nn[n-]n2)o1 ZINC000821564005 599155776 /nfs/dbraw/zinc/15/57/76/599155776.db2.gz PKXJCCHFXNMSRY-UHFFFAOYSA-N -1 1 387.425 1.747 20 0 GDADMM O=C1NCCc2ccc(S(=O)(=O)[N-]c3ccc(F)c(-c4nn[nH]n4)c3)cc21 ZINC000738317309 599168430 /nfs/dbraw/zinc/16/84/30/599168430.db2.gz BVKBSRQCLBOUEW-UHFFFAOYSA-N -1 1 388.384 1.093 20 0 GDADMM CC(=O)Nc1cc(F)c(S(=O)(=O)N(CCN(C)C)CC(=O)[O-])cc1Cl ZINC000534761554 596975485 /nfs/dbraw/zinc/97/54/85/596975485.db2.gz BQJFUCRXUGJEQL-UHFFFAOYSA-N -1 1 395.840 1.074 20 0 GDADMM COc1ccccc1NS(=O)(=O)c1cc(C(=O)NCC(=O)[O-])ccc1C ZINC000739979165 597026537 /nfs/dbraw/zinc/02/65/37/597026537.db2.gz VZBFZLSWNDQEJF-UHFFFAOYSA-N -1 1 378.406 1.619 20 0 GDADMM CN1CCN(C[C@@H](NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)c2ccccc2)CC1 ZINC000818482127 597063894 /nfs/dbraw/zinc/06/38/94/597063894.db2.gz GKXXOENNIBYLLL-PKOBYXMFSA-N -1 1 388.512 1.871 20 0 GDADMM CSc1ccccc1NC(=O)CN(C)C(=O)CNC1(C(=O)[O-])CCCC1 ZINC000820910287 597392460 /nfs/dbraw/zinc/39/24/60/597392460.db2.gz XTIPKEGVUMDRKC-UHFFFAOYSA-N -1 1 379.482 1.792 20 0 GDADMM COc1ccccc1[C@H](CNC(=O)N1CCO[C@H](C(=O)[O-])C1)N1CCCC1 ZINC000738120033 597413261 /nfs/dbraw/zinc/41/32/61/597413261.db2.gz KKEBBAILRCVQOC-RDJZCZTQSA-N -1 1 377.441 1.327 20 0 GDADMM CN1CC[C@H](NC(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)[C@H]1c1ccccc1 ZINC000820620394 597421167 /nfs/dbraw/zinc/42/11/67/597421167.db2.gz LVOSERQCIJKFBA-PKOBYXMFSA-N -1 1 381.432 1.814 20 0 GDADMM COc1ccc(CN2CCCN(C(=O)CN3CCCC[C@H]3C(=O)[O-])CC2)cc1 ZINC000263577362 597431308 /nfs/dbraw/zinc/43/13/08/597431308.db2.gz RLSRUGLOGZCBSQ-IBGZPJMESA-N -1 1 389.496 1.669 20 0 GDADMM O=C([O-])[C@H]1CC(C(=O)N2CCN(C3CCOCC3)CC2)=NN1c1ccccc1 ZINC000819225109 597443004 /nfs/dbraw/zinc/44/30/04/597443004.db2.gz JCKNOTAGXWAPOI-GOSISDBHSA-N -1 1 386.452 1.029 20 0 GDADMM COC(=O)c1sccc1OS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736957633 598254190 /nfs/dbraw/zinc/25/41/90/598254190.db2.gz VABHPDSJURUZDL-UHFFFAOYSA-N -1 1 384.370 1.622 20 0 GDADMM O=S(=O)(NCCc1ccc(C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738339481 598261419 /nfs/dbraw/zinc/26/14/19/598261419.db2.gz QXRMZCDSSDYHGY-UHFFFAOYSA-N -1 1 398.370 1.802 20 0 GDADMM O=S(=O)(NCCc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738339481 598261420 /nfs/dbraw/zinc/26/14/20/598261420.db2.gz QXRMZCDSSDYHGY-UHFFFAOYSA-N -1 1 398.370 1.802 20 0 GDADMM COc1ccc([C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C(C)C)cc1 ZINC000737073586 598262473 /nfs/dbraw/zinc/26/24/73/598262473.db2.gz FOPQBPNQKHEZIT-INIZCTEOSA-N -1 1 388.453 1.946 20 0 GDADMM COc1ccc([C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C(C)C)cc1 ZINC000737073586 598262475 /nfs/dbraw/zinc/26/24/75/598262475.db2.gz FOPQBPNQKHEZIT-INIZCTEOSA-N -1 1 388.453 1.946 20 0 GDADMM Cc1ccc(C(=O)N(C)C)cc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737308127 598265504 /nfs/dbraw/zinc/26/55/04/598265504.db2.gz GCZBUIBMOYQFAI-UHFFFAOYSA-N -1 1 388.409 1.040 20 0 GDADMM Cc1ccc(C(=O)N(C)C)cc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737308127 598265505 /nfs/dbraw/zinc/26/55/05/598265505.db2.gz GCZBUIBMOYQFAI-UHFFFAOYSA-N -1 1 388.409 1.040 20 0 GDADMM O=S(=O)(N[C@H]1CCc2cc(Cl)ccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000738341026 598269399 /nfs/dbraw/zinc/26/93/99/598269399.db2.gz AGWNVSDOQWGGRB-ZDUSSCGKSA-N -1 1 376.829 1.881 20 0 GDADMM O=S(=O)(N[C@H]1CCc2cc(Cl)ccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000738341026 598269400 /nfs/dbraw/zinc/26/94/00/598269400.db2.gz AGWNVSDOQWGGRB-ZDUSSCGKSA-N -1 1 376.829 1.881 20 0 GDADMM CN(C[C@@H]1OCCc2ccccc21)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736790836 598272047 /nfs/dbraw/zinc/27/20/47/598272047.db2.gz JSSXOXYWZVTKAQ-INIZCTEOSA-N -1 1 386.437 1.196 20 0 GDADMM CN(C[C@@H]1OCCc2ccccc21)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736790836 598272049 /nfs/dbraw/zinc/27/20/49/598272049.db2.gz JSSXOXYWZVTKAQ-INIZCTEOSA-N -1 1 386.437 1.196 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CCCC[C@@H]2c2ncc[nH]2)cc1-c1nn[n-]n1 ZINC000737188034 598302604 /nfs/dbraw/zinc/30/26/04/598302604.db2.gz WHQLQXWUSMWWNS-LLVKDONJSA-N -1 1 386.441 1.780 20 0 GDADMM COc1ccc(NC(=S)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1F ZINC000737103875 598322349 /nfs/dbraw/zinc/32/23/49/598322349.db2.gz JWSHBDYCXDOTRH-UHFFFAOYSA-N -1 1 391.436 1.239 20 0 GDADMM COc1ccc(NC(=S)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1F ZINC000737103875 598322350 /nfs/dbraw/zinc/32/23/50/598322350.db2.gz JWSHBDYCXDOTRH-UHFFFAOYSA-N -1 1 391.436 1.239 20 0 GDADMM O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC000738162324 598345435 /nfs/dbraw/zinc/34/54/35/598345435.db2.gz ACCCQXXPCZIUAE-JTQLQIEISA-N -1 1 385.819 1.560 20 0 GDADMM O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC000738162324 598345437 /nfs/dbraw/zinc/34/54/37/598345437.db2.gz ACCCQXXPCZIUAE-JTQLQIEISA-N -1 1 385.819 1.560 20 0 GDADMM O=C(Nc1ccc(F)cc1)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000738165055 598346442 /nfs/dbraw/zinc/34/64/42/598346442.db2.gz DFSQHLREZMGGLV-UHFFFAOYSA-N -1 1 383.391 1.586 20 0 GDADMM O=C(Nc1ccc(F)cc1)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000738165055 598346443 /nfs/dbraw/zinc/34/64/43/598346443.db2.gz DFSQHLREZMGGLV-UHFFFAOYSA-N -1 1 383.391 1.586 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)Nc2ccc3oc(=O)n(C)c3c2)cc1-c1nn[n-]n1 ZINC000737186073 598359734 /nfs/dbraw/zinc/35/97/34/598359734.db2.gz FWVHSAVZVWQITL-UHFFFAOYSA-N -1 1 399.392 1.386 20 0 GDADMM O=S(=O)(Oc1ccc2c(c1)OCCCO2)c1ccc(-c2nnn[n-]2)nc1 ZINC000738340482 598370430 /nfs/dbraw/zinc/37/04/30/598370430.db2.gz UYHQPYMCGMNZSP-UHFFFAOYSA-N -1 1 375.366 1.191 20 0 GDADMM O=S(=O)(Oc1ccc2c(c1)OCCCO2)c1ccc(-c2nn[n-]n2)nc1 ZINC000738340482 598370432 /nfs/dbraw/zinc/37/04/32/598370432.db2.gz UYHQPYMCGMNZSP-UHFFFAOYSA-N -1 1 375.366 1.191 20 0 GDADMM CCc1nn(CC(=O)Nc2cccc(C(C)=O)c2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705524 598377649 /nfs/dbraw/zinc/37/76/49/598377649.db2.gz JTYBWLQBWYBNBB-UHFFFAOYSA-N -1 1 395.423 1.390 20 0 GDADMM C[C@@H]1C(=O)NCCN1C(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736227634 598401972 /nfs/dbraw/zinc/40/19/72/598401972.db2.gz DSVCCBHVRGIDFW-LLVKDONJSA-N -1 1 396.382 1.759 20 0 GDADMM C[C@@H]1C(=O)NCCN1C(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736227634 598401974 /nfs/dbraw/zinc/40/19/74/598401974.db2.gz DSVCCBHVRGIDFW-LLVKDONJSA-N -1 1 396.382 1.759 20 0 GDADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)N1CCC(c2ccccc2)=N1 ZINC000737982795 598503520 /nfs/dbraw/zinc/50/35/20/598503520.db2.gz QWHPWTHGMXRIEC-UHFFFAOYSA-N -1 1 399.414 1.818 20 0 GDADMM CCCO[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000736487368 598510575 /nfs/dbraw/zinc/51/05/75/598510575.db2.gz GJQJGVKFLNIWBD-LBPRGKRZSA-N -1 1 383.449 1.976 20 0 GDADMM COC(=O)C[C@@H](O)CSc1nc(C)cc(C(F)(F)F)c1-c1nn[n-]n1 ZINC000736930040 598613571 /nfs/dbraw/zinc/61/35/71/598613571.db2.gz DOWNEIRCTKQKMR-SSDOTTSWSA-N -1 1 377.348 1.605 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000737546826 598614145 /nfs/dbraw/zinc/61/41/45/598614145.db2.gz HXPBKFBIDAKGGH-ZDUSSCGKSA-N -1 1 393.411 1.628 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000737546826 598614146 /nfs/dbraw/zinc/61/41/46/598614146.db2.gz HXPBKFBIDAKGGH-ZDUSSCGKSA-N -1 1 393.411 1.628 20 0 GDADMM O=C(NCc1nn[n-]n1)c1ccccc1Sc1ccccc1-c1nn[nH]n1 ZINC000738128482 598626170 /nfs/dbraw/zinc/62/61/70/598626170.db2.gz CWLOGMTUBWAUTQ-UHFFFAOYSA-N -1 1 379.409 1.461 20 0 GDADMM CCc1nn(CC(=O)Nc2ccc(SC)cc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705144 598641622 /nfs/dbraw/zinc/64/16/22/598641622.db2.gz CSYXFNLCFSHSPV-UHFFFAOYSA-N -1 1 399.480 1.909 20 0 GDADMM Cc1ncc(NC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)cn1 ZINC000737497790 598660632 /nfs/dbraw/zinc/66/06/32/598660632.db2.gz GQFZWDNIGBSBSJ-UHFFFAOYSA-N -1 1 378.400 1.196 20 0 GDADMM Cc1ncc(NC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)cn1 ZINC000737497790 598660633 /nfs/dbraw/zinc/66/06/33/598660633.db2.gz GQFZWDNIGBSBSJ-UHFFFAOYSA-N -1 1 378.400 1.196 20 0 GDADMM CN(Cc1ccc(Cl)nc1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736816470 598688227 /nfs/dbraw/zinc/68/82/27/598688227.db2.gz IPWKEKSOBKXFSU-UHFFFAOYSA-N -1 1 382.808 1.875 20 0 GDADMM CC(C)Oc1ccc(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cn1 ZINC000735914718 598689353 /nfs/dbraw/zinc/68/93/53/598689353.db2.gz IOAYAPVLJNIFOM-UHFFFAOYSA-N -1 1 392.416 1.667 20 0 GDADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)N1CCO[C@@H]2CCCC[C@H]21 ZINC000737981226 598719854 /nfs/dbraw/zinc/71/98/54/598719854.db2.gz KGUXYAKUKRKGEI-IAGOWNOFSA-N -1 1 394.435 1.352 20 0 GDADMM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)ccc1C(N)=O ZINC000737280525 598749929 /nfs/dbraw/zinc/74/99/29/598749929.db2.gz LNGSNXOQUYBHEO-UHFFFAOYSA-N -1 1 392.828 1.728 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@H](C)c2cnn(C(C)C)c2)cc1-c1nn[n-]n1 ZINC000737188055 598779997 /nfs/dbraw/zinc/77/99/97/598779997.db2.gz XBVPFSOVEJKUIP-SECBINFHSA-N -1 1 388.457 1.958 20 0 GDADMM COC(=O)c1coc(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)c1 ZINC000736957508 598789159 /nfs/dbraw/zinc/78/91/59/598789159.db2.gz RHHRNDVJGXNOCU-UHFFFAOYSA-N -1 1 379.332 1.444 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H](C)c1nnc2n1CCC2 ZINC000737546818 598810946 /nfs/dbraw/zinc/81/09/46/598810946.db2.gz GIYFSMNFLCASRU-SNVBAGLBSA-N -1 1 393.411 1.588 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H](C)c1nnc2n1CCC2 ZINC000737546818 598810947 /nfs/dbraw/zinc/81/09/47/598810947.db2.gz GIYFSMNFLCASRU-SNVBAGLBSA-N -1 1 393.411 1.588 20 0 GDADMM C[C@@H](c1cccc(Cl)c1)N(C)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736200096 598814822 /nfs/dbraw/zinc/81/48/22/598814822.db2.gz RNEXPXJBEHGATG-VIFPVBQESA-N -1 1 375.820 1.115 20 0 GDADMM COc1ccc(Nc2nc(C(=O)n3ncc(-c4nn[n-]n4)c3N)cs2)cc1 ZINC000821839374 599318614 /nfs/dbraw/zinc/31/86/14/599318614.db2.gz UUGDWWSBVYXLSK-UHFFFAOYSA-N -1 1 383.397 1.543 20 0 GDADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2cccc(-c3nn[nH]n3)c2)o1 ZINC000821669285 599322856 /nfs/dbraw/zinc/32/28/56/599322856.db2.gz DWOGFNFSEMDCPQ-SECBINFHSA-N -1 1 377.382 1.286 20 0 GDADMM CCCCOCC(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000736460589 599334688 /nfs/dbraw/zinc/33/46/88/599334688.db2.gz OBNSTABHUKXBMN-UHFFFAOYSA-N -1 1 399.411 1.351 20 0 GDADMM CCCCOCC(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736460589 599334691 /nfs/dbraw/zinc/33/46/91/599334691.db2.gz OBNSTABHUKXBMN-UHFFFAOYSA-N -1 1 399.411 1.351 20 0 GDADMM COC(=O)[C@@H](NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)C(C)(C)C ZINC000736894077 599342685 /nfs/dbraw/zinc/34/26/85/599342685.db2.gz FQIULUVRBJWSAP-CQSZACIVSA-N -1 1 390.444 1.221 20 0 GDADMM CCc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)cc1 ZINC000821487468 599375097 /nfs/dbraw/zinc/37/50/97/599375097.db2.gz UPMCHESTLQUVRC-UHFFFAOYSA-N -1 1 399.480 1.335 20 0 GDADMM CCc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)cc1 ZINC000821487468 599375099 /nfs/dbraw/zinc/37/50/99/599375099.db2.gz UPMCHESTLQUVRC-UHFFFAOYSA-N -1 1 399.480 1.335 20 0 GDADMM COc1ccc(C(=O)N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)cc1OC ZINC000737068019 599401470 /nfs/dbraw/zinc/40/14/70/599401470.db2.gz XYXJLWALWQHBSN-UHFFFAOYSA-N -1 1 395.423 1.241 20 0 GDADMM COc1ccc(C(=O)N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)cc1OC ZINC000737068019 599401472 /nfs/dbraw/zinc/40/14/72/599401472.db2.gz XYXJLWALWQHBSN-UHFFFAOYSA-N -1 1 395.423 1.241 20 0 GDADMM CN(C(=O)CN1CCN(c2cccc(-c3nn[n-]n3)n2)CC1)C1CCCCC1 ZINC000736732218 599427449 /nfs/dbraw/zinc/42/74/49/599427449.db2.gz CBXIPIGIGGVQOG-UHFFFAOYSA-N -1 1 384.488 1.175 20 0 GDADMM C[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccc(F)cc1Cl ZINC000736136668 599440393 /nfs/dbraw/zinc/44/03/93/599440393.db2.gz GLEKCWGQGBQZLY-ZETCQYMHSA-N -1 1 379.783 1.230 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cc1-c1nn[n-]n1 ZINC000821978803 599456529 /nfs/dbraw/zinc/45/65/29/599456529.db2.gz MZAZFQQPJYHCJM-AXTRIDKLSA-N -1 1 390.469 1.623 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCC2(SC)CCOCC2)cc1-c1nn[n-]n1 ZINC000821979085 599472079 /nfs/dbraw/zinc/47/20/79/599472079.db2.gz PDZHPMBOZOOIHN-UHFFFAOYSA-N -1 1 396.498 1.331 20 0 GDADMM CCCOC(=O)[C@H](C)OC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821128200 599651365 /nfs/dbraw/zinc/65/13/65/599651365.db2.gz RNPPWGHSUADTAU-NSHDSACASA-N -1 1 377.401 1.402 20 0 GDADMM C[C@@]1(CCc2ccc3c(c2)OCO3)NC(=O)N(CN2CC[C@H](C(=O)[O-])C2)C1=O 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1.548 20 0 GDADMM Cc1ccccc1-n1ccnc1S(=O)(=O)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826305812 607531000 /nfs/dbraw/zinc/53/10/00/607531000.db2.gz JCKUZROFHMUGJO-UHFFFAOYSA-N -1 1 381.421 1.730 20 0 GDADMM Cc1ccccc1-n1ccnc1S(=O)(=O)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826305812 607531001 /nfs/dbraw/zinc/53/10/01/607531001.db2.gz JCKUZROFHMUGJO-UHFFFAOYSA-N -1 1 381.421 1.730 20 0 GDADMM COc1ccc(CCNC(=O)[C@H](C)N2CCSC[C@@H]2CC(=O)[O-])cc1OC ZINC000832299898 601920338 /nfs/dbraw/zinc/92/03/38/601920338.db2.gz OVHRJOFAKNILGL-ZFWWWQNUSA-N -1 1 396.509 1.643 20 0 GDADMM COc1ccc(CCNC(=O)[C@H](C)N2CCSC[C@H]2CC(=O)[O-])cc1OC ZINC000832299895 601920576 /nfs/dbraw/zinc/92/05/76/601920576.db2.gz OVHRJOFAKNILGL-DZGCQCFKSA-N -1 1 396.509 1.643 20 0 GDADMM O=C([O-])N[C@@H](Cc1ccccc1)C(=O)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000740689552 601927343 /nfs/dbraw/zinc/92/73/43/601927343.db2.gz ZGKIQTFNXZHDMN-MSOLQXFVSA-N -1 1 375.469 1.579 20 0 GDADMM CN(C)C(=O)c1ccc(NC(=O)CN(C2CC2)C2CCN(C(=O)[O-])CC2)cc1 ZINC000739599672 601931418 /nfs/dbraw/zinc/93/14/18/601931418.db2.gz GEMRWAOKTXLQNH-UHFFFAOYSA-N -1 1 388.468 1.934 20 0 GDADMM C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000738603245 601943353 /nfs/dbraw/zinc/94/33/53/601943353.db2.gz OYIAWKSLBFBTNV-ILXRZTDVSA-N -1 1 377.441 1.263 20 0 GDADMM C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000738603247 601943914 /nfs/dbraw/zinc/94/39/14/601943914.db2.gz OYIAWKSLBFBTNV-QLFBSQMISA-N -1 1 377.441 1.263 20 0 GDADMM COc1ccc(OC)c([C@H]2CCCN2C(=O)CN2CC[C@@H](CNC(=O)[O-])C2)c1 ZINC000739931959 601955201 /nfs/dbraw/zinc/95/52/01/601955201.db2.gz RHOQIMQGQQBMDC-WMLDXEAASA-N -1 1 391.468 1.957 20 0 GDADMM Cc1cccc(S(=O)(=O)Nc2cc(F)c(F)cc2C(=O)[O-])c1-c1nn[nH]n1 ZINC000826303840 607536515 /nfs/dbraw/zinc/53/65/15/607536515.db2.gz HVRRIRLMOLQRFI-UHFFFAOYSA-N -1 1 395.347 1.952 20 0 GDADMM CS(=O)(=O)Cc1nc(CSCc2ccnc(-c3nnn[n-]3)c2)cs1 ZINC000826222721 607536142 /nfs/dbraw/zinc/53/61/42/607536142.db2.gz JMADCCKTEFSRNH-UHFFFAOYSA-N -1 1 382.496 1.696 20 0 GDADMM CS(=O)(=O)Cc1nc(CSCc2ccnc(-c3nn[n-]n3)c2)cs1 ZINC000826222721 607536144 /nfs/dbraw/zinc/53/61/44/607536144.db2.gz JMADCCKTEFSRNH-UHFFFAOYSA-N -1 1 382.496 1.696 20 0 GDADMM O=C([O-])Cc1cccc(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c1 ZINC000266182877 601986809 /nfs/dbraw/zinc/98/68/09/601986809.db2.gz LXCCTTCCFCPHOU-UHFFFAOYSA-N -1 1 377.422 1.679 20 0 GDADMM CN(C)[C@@H](CNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1)c1cccs1 ZINC000737952168 602116800 /nfs/dbraw/zinc/11/68/00/602116800.db2.gz ZQXLOCJGVFNYSS-AWEZNQCLSA-N -1 1 375.450 1.733 20 0 GDADMM CN(C)[C@H](CNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1)c1ccc(F)cc1 ZINC000737949779 602122324 /nfs/dbraw/zinc/12/23/24/602122324.db2.gz GGJBWVLGRRIVOW-QGZVFWFLSA-N -1 1 387.411 1.810 20 0 GDADMM CCC[C@](C)(NC(=O)[O-])C(=O)NCc1ccc(N2CCN(CC)CC2)nc1 ZINC000739291245 602127564 /nfs/dbraw/zinc/12/75/64/602127564.db2.gz MRIFYMRFNHQPLX-IBGZPJMESA-N -1 1 377.489 1.666 20 0 GDADMM c1cc(CSc2nnnn2-c2ccc3c(c2)OCO3)cc(-c2nnn[n-]2)n1 ZINC000826516443 607548476 /nfs/dbraw/zinc/54/84/76/607548476.db2.gz LJWHAGPMIMAUSS-UHFFFAOYSA-N -1 1 381.381 1.258 20 0 GDADMM c1cc(CSc2nnnn2-c2ccc3c(c2)OCO3)cc(-c2nn[n-]n2)n1 ZINC000826516443 607548478 /nfs/dbraw/zinc/54/84/78/607548478.db2.gz LJWHAGPMIMAUSS-UHFFFAOYSA-N -1 1 381.381 1.258 20 0 GDADMM COC(=O)[C@@H](CC(=O)[O-])NC(=O)CSc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000831067487 602180684 /nfs/dbraw/zinc/18/06/84/602180684.db2.gz SEMBPWUQCPRWMM-LLVKDONJSA-N -1 1 378.410 1.005 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000826495727 607552608 /nfs/dbraw/zinc/55/26/08/607552608.db2.gz ZCIDIQPLXARZSC-GHMZBOCLSA-N -1 1 383.861 1.567 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000826495727 607552609 /nfs/dbraw/zinc/55/26/09/607552609.db2.gz ZCIDIQPLXARZSC-GHMZBOCLSA-N -1 1 383.861 1.567 20 0 GDADMM CN(C)CC(=O)N1CCN(C(=O)c2cc3ccccc3cc2NC(=O)[O-])CC1 ZINC000739607685 602268978 /nfs/dbraw/zinc/26/89/78/602268978.db2.gz OCEIOYBOPOUNPT-UHFFFAOYSA-N -1 1 384.436 1.776 20 0 GDADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N[C@@H](C)[C@H]1CCCN(C(=O)[O-])C1 ZINC000739023858 602269990 /nfs/dbraw/zinc/26/99/90/602269990.db2.gz FJUMVERCVZGASX-AVGNSLFASA-N -1 1 387.440 1.576 20 0 GDADMM CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)N2CCC[C@@H](CN(C)C(=O)[O-])C2)C1 ZINC000739469565 602399802 /nfs/dbraw/zinc/39/98/02/602399802.db2.gz RMPVBBKPPCHNSB-HRCADAONSA-N -1 1 383.489 1.498 20 0 GDADMM C[C@@H](NC(=O)[O-])C1CC[NH+]([C@@H]2CC(=O)N(c3cccc(C(=O)[O-])c3)C2=O)CC1 ZINC000739025422 602456679 /nfs/dbraw/zinc/45/66/79/602456679.db2.gz JMHRTXAGQHVWLA-IAQYHMDHSA-N -1 1 389.408 1.385 20 0 GDADMM COc1ccc(CNC(=O)[C@H](C)N2CC[C@H](CN(C)C(=O)[O-])C2)cc1OC ZINC000739902940 602534828 /nfs/dbraw/zinc/53/48/28/602534828.db2.gz FPDYUSVUWDKZIV-DZGCQCFKSA-N -1 1 379.457 1.640 20 0 GDADMM C[C@@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737560582 602536835 /nfs/dbraw/zinc/53/68/35/602536835.db2.gz RZZYDLXYKQTMGA-GOEBONIOSA-N -1 1 391.468 1.748 20 0 GDADMM COc1ccc(OC)c([C@H](C)NC(=O)CN2CC[C@@H](CN(C)C(=O)[O-])C2)c1 ZINC000739931430 602537054 /nfs/dbraw/zinc/53/70/54/602537054.db2.gz QEHWUACOXWBDQC-KBPBESRZSA-N -1 1 379.457 1.813 20 0 GDADMM CCN(Cc1ccc2c(c1)OCCO2)C(=O)CN1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739442262 602577750 /nfs/dbraw/zinc/57/77/50/602577750.db2.gz STSMETPTOQIUTJ-INIZCTEOSA-N -1 1 391.468 1.738 20 0 GDADMM CN(C)[C@@H](CNC(=O)N(C)CCN1CCN(C(=O)[O-])CC1)c1cccc(F)c1 ZINC000739684803 602610858 /nfs/dbraw/zinc/61/08/58/602610858.db2.gz RNYHCZHKIIRKAC-KRWDZBQOSA-N -1 1 395.479 1.365 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)NC2CCN(Cc3ccccn3)CC2)C1)C(=O)[O-] ZINC000739650846 602614545 /nfs/dbraw/zinc/61/45/45/602614545.db2.gz NSHFRPVZARPKRU-HNNXBMFYSA-N -1 1 375.473 1.687 20 0 GDADMM CCN1CCN(c2ccc(CNC(=O)N(C)[C@H](C)CNC(=O)[O-])cn2)CC1 ZINC000739454705 602615084 /nfs/dbraw/zinc/61/50/84/602615084.db2.gz GIOIEFZDWGYVIZ-CQSZACIVSA-N -1 1 378.477 1.021 20 0 GDADMM O=C([O-])N1CCC[C@@H](CNC(=O)N2CCC(CCN3CCOCC3)CC2)C1 ZINC000740512985 602628883 /nfs/dbraw/zinc/62/88/83/602628883.db2.gz RWDNIDRSVQIGQE-KRWDZBQOSA-N -1 1 382.505 1.520 20 0 GDADMM COc1cc(C(C)=O)ccc1OS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826177298 607577203 /nfs/dbraw/zinc/57/72/03/607577203.db2.gz BWKLUVNSJJOSGX-UHFFFAOYSA-N -1 1 392.368 1.985 20 0 GDADMM COc1cc(C(C)=O)ccc1OS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826177298 607577204 /nfs/dbraw/zinc/57/72/04/607577204.db2.gz BWKLUVNSJJOSGX-UHFFFAOYSA-N -1 1 392.368 1.985 20 0 GDADMM COc1cc(NC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)ccc1NC(=O)[O-] ZINC000739866382 602641302 /nfs/dbraw/zinc/64/13/02/602641302.db2.gz MWFBQTJEEJFLEJ-CABCVRRESA-N -1 1 378.429 1.848 20 0 GDADMM O=S(=O)(N[C@@H]1CCOc2ccccc21)c1cccc(F)c1-c1nnn[n-]1 ZINC000826489746 607578873 /nfs/dbraw/zinc/57/88/73/607578873.db2.gz YJZYQHXDBGJQCV-GFCCVEGCSA-N -1 1 375.385 1.808 20 0 GDADMM O=S(=O)(N[C@@H]1CCOc2ccccc21)c1cccc(F)c1-c1nn[n-]n1 ZINC000826489746 607578875 /nfs/dbraw/zinc/57/88/75/607578875.db2.gz YJZYQHXDBGJQCV-GFCCVEGCSA-N -1 1 375.385 1.808 20 0 GDADMM COc1ccc(NC(=O)[O-])c(NS(=O)(=O)c2ccc(C)c(C(N)=O)c2)c1 ZINC000739923849 602652642 /nfs/dbraw/zinc/65/26/42/602652642.db2.gz MHRADTNFGQQPRU-UHFFFAOYSA-N -1 1 379.394 1.993 20 0 GDADMM COc1ccc(C)cc1CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826189723 607583815 /nfs/dbraw/zinc/58/38/15/607583815.db2.gz CPHOMYAMZGITIA-UHFFFAOYSA-N -1 1 377.401 1.801 20 0 GDADMM COc1ccc(C)cc1CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826189723 607583817 /nfs/dbraw/zinc/58/38/17/607583817.db2.gz CPHOMYAMZGITIA-UHFFFAOYSA-N -1 1 377.401 1.801 20 0 GDADMM C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739173858 602761635 /nfs/dbraw/zinc/76/16/35/602761635.db2.gz GNOLOINZCINMJL-FMKPAKJESA-N -1 1 391.468 1.483 20 0 GDADMM CNC(=O)c1ccccc1OS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826073337 607587287 /nfs/dbraw/zinc/58/72/87/607587287.db2.gz OJYIIAGGRNTVHN-UHFFFAOYSA-N -1 1 377.357 1.133 20 0 GDADMM CNC(=O)c1ccccc1OS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826073337 607587289 /nfs/dbraw/zinc/58/72/89/607587289.db2.gz OJYIIAGGRNTVHN-UHFFFAOYSA-N -1 1 377.357 1.133 20 0 GDADMM C[C@@H]1CN(CCC(=O)Nc2ccc(N3CCOCC3)cc2)C[C@@H](C)N1C(=O)[O-] ZINC000739185299 602840879 /nfs/dbraw/zinc/84/08/79/602840879.db2.gz YXRNLEMBXJCBCG-HZPDHXFCSA-N -1 1 390.484 1.924 20 0 GDADMM CC(C)Oc1ccc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cn1 ZINC000824324342 607589553 /nfs/dbraw/zinc/58/95/53/607589553.db2.gz LNSZZMNYASFGLU-UHFFFAOYSA-N -1 1 392.416 1.667 20 0 GDADMM CN(C)Cc1cc(CNC(=O)C(=O)Nc2ccc(NC(=O)[O-])nc2)ccc1F ZINC000739609408 602857212 /nfs/dbraw/zinc/85/72/12/602857212.db2.gz BZWHTYOJSPFXIB-UHFFFAOYSA-N -1 1 389.387 1.627 20 0 GDADMM CN1CCN(c2ccc(CNC(=O)N[C@@H]3CCCCN(C(=O)[O-])C3)cn2)CC1 ZINC000739735625 602886270 /nfs/dbraw/zinc/88/62/70/602886270.db2.gz AMMWBHXCALJPSY-MRXNPFEDSA-N -1 1 390.488 1.165 20 0 GDADMM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N1CCO[C@H](c2nn[nH]n2)C1 ZINC000829173746 602887410 /nfs/dbraw/zinc/88/74/10/602887410.db2.gz LSQHYOYDLAVFPQ-NSHDSACASA-N -1 1 382.764 1.165 20 0 GDADMM O=C([O-])N1CCCC[C@H](NC(=O)NC2CCN(Cc3ccccn3)CC2)C1 ZINC000740401169 602889583 /nfs/dbraw/zinc/88/95/83/602889583.db2.gz RFHIWIPHEGGAFX-KRWDZBQOSA-N -1 1 375.473 1.878 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)cc1NC(=O)[O-] ZINC000830211254 602948304 /nfs/dbraw/zinc/94/83/04/602948304.db2.gz KYPFIGSYYBUSRO-MRXNPFEDSA-N -1 1 376.457 1.221 20 0 GDADMM O=C([O-])N[C@H](CCC(=O)N1CC[C@@H](CN2CCOCC2)C1)c1ccccc1 ZINC000740533583 602971334 /nfs/dbraw/zinc/97/13/34/602971334.db2.gz QOKIBFIGCDTNAI-FUHWJXTLSA-N -1 1 375.469 1.956 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCC(n2cccn2)CC1 ZINC000826494800 607601830 /nfs/dbraw/zinc/60/18/30/607601830.db2.gz PUYYIHQMPNAISX-UHFFFAOYSA-N -1 1 393.860 1.742 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCCC[C@@H]1C1OCCO1 ZINC000826495674 607603990 /nfs/dbraw/zinc/60/39/90/607603990.db2.gz WQMKFFJADLDPTL-LLVKDONJSA-N -1 1 399.860 1.436 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCCC[C@@H]1C1OCCO1 ZINC000826495674 607603991 /nfs/dbraw/zinc/60/39/91/607603991.db2.gz WQMKFFJADLDPTL-LLVKDONJSA-N -1 1 399.860 1.436 20 0 GDADMM Cc1nnc([C@H]2CN(C(=O)[C@@H](NC(=O)[O-])c3cccc(Cl)c3)CCO2)[nH]1 ZINC000830672022 603075826 /nfs/dbraw/zinc/07/58/26/603075826.db2.gz IKBYEBTZAVPGBS-OLZOCXBDSA-N -1 1 379.804 1.675 20 0 GDADMM CCCc1nnc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)[O-])CCO2)[nH]1 ZINC000826953052 603077638 /nfs/dbraw/zinc/07/76/38/603077638.db2.gz AQYBYNRNWUBGJY-AJNGGQMLSA-N -1 1 391.472 1.968 20 0 GDADMM CCCc1n[nH]c([C@@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)[O-])CCO2)n1 ZINC000826953052 603077644 /nfs/dbraw/zinc/07/76/44/603077644.db2.gz AQYBYNRNWUBGJY-AJNGGQMLSA-N -1 1 391.472 1.968 20 0 GDADMM CN(C(=O)[O-])C1CC[NH+]([C@@H]2CC(=O)N(Cc3ccc(C(=O)[O-])cc3)C2=O)CC1 ZINC000739592442 603105306 /nfs/dbraw/zinc/10/53/06/603105306.db2.gz SZRUQQFZVIEGKT-OAHLLOKOSA-N -1 1 389.408 1.087 20 0 GDADMM Cc1ccc(CCNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cn1 ZINC000826287512 607613667 /nfs/dbraw/zinc/61/36/67/607613667.db2.gz RRVDYQVDUZRTRL-UHFFFAOYSA-N -1 1 378.845 1.745 20 0 GDADMM Cc1ccc(CCNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cn1 ZINC000826287512 607613668 /nfs/dbraw/zinc/61/36/68/607613668.db2.gz RRVDYQVDUZRTRL-UHFFFAOYSA-N -1 1 378.845 1.745 20 0 GDADMM O=S(=O)(NCCc1ccc(F)cc1F)c1cccc(F)c1-c1nnn[n-]1 ZINC000826491608 607614036 /nfs/dbraw/zinc/61/40/36/607614036.db2.gz RPUTTZFBYIOPHU-UHFFFAOYSA-N -1 1 383.355 1.805 20 0 GDADMM O=S(=O)(NCCc1ccc(F)cc1F)c1cccc(F)c1-c1nn[n-]n1 ZINC000826491608 607614038 /nfs/dbraw/zinc/61/40/38/607614038.db2.gz RPUTTZFBYIOPHU-UHFFFAOYSA-N -1 1 383.355 1.805 20 0 GDADMM CC(C)C[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)C(=O)OC(C)C ZINC000824276040 607616003 /nfs/dbraw/zinc/61/60/03/607616003.db2.gz XSBVDAHXKMWLFE-ZDUSSCGKSA-N -1 1 399.448 1.650 20 0 GDADMM Cc1nc(CN2CCN(C(=O)[C@@H](NC(=O)[O-])c3cccc(Cl)c3)CC2)n[nH]1 ZINC000740217764 603317653 /nfs/dbraw/zinc/31/76/53/603317653.db2.gz CKOVBDBVKSWAMQ-HNNXBMFYSA-N -1 1 392.847 1.420 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC[C@H]1Cn1cccn1 ZINC000826496028 607621837 /nfs/dbraw/zinc/62/18/37/607621837.db2.gz IVTAHKZRNPRRBG-NSHDSACASA-N -1 1 377.405 1.056 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC[C@H]1Cn1cccn1 ZINC000826496028 607621838 /nfs/dbraw/zinc/62/18/38/607621838.db2.gz IVTAHKZRNPRRBG-NSHDSACASA-N -1 1 377.405 1.056 20 0 GDADMM COc1ccc(CN2CCN(C[C@H]3CCN(C(=O)[O-])C3)CC2)c(OC)c1OC ZINC000739901978 603322296 /nfs/dbraw/zinc/32/22/96/603322296.db2.gz CMWASDUISOSSNM-OAHLLOKOSA-N -1 1 393.484 1.830 20 0 GDADMM O=C([O-])N1CC[C@H](CN2CCN(Cc3nc(-c4cccs4)no3)CC2)C1 ZINC000740502084 603325002 /nfs/dbraw/zinc/32/50/02/603325002.db2.gz DHMGHHYKOHEORO-CYBMUJFWSA-N -1 1 377.470 1.916 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCC(Cn2cccn2)CC1 ZINC000826495393 607622246 /nfs/dbraw/zinc/62/22/46/607622246.db2.gz OCMCZCYSEWLALB-UHFFFAOYSA-N -1 1 391.432 1.303 20 0 GDADMM COc1cc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)ccc1O ZINC000826179338 607623662 /nfs/dbraw/zinc/62/36/62/607623662.db2.gz KNKLPGWKYWTTGP-UHFFFAOYSA-N -1 1 397.363 1.338 20 0 GDADMM CC(C)CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(NC(=O)[O-])cc2)C1 ZINC000738825322 603381436 /nfs/dbraw/zinc/38/14/36/603381436.db2.gz OXDJWRURBJBLOH-HNNXBMFYSA-N -1 1 378.429 1.188 20 0 GDADMM COc1cc(NC(=O)C(=O)N2CCN(C3CCCC3)CC2)ccc1NC(=O)[O-] ZINC000739864293 603393669 /nfs/dbraw/zinc/39/36/69/603393669.db2.gz FZADCVPWUIVDFZ-UHFFFAOYSA-N -1 1 390.440 1.810 20 0 GDADMM C[C@@H]1CN(CC(=O)N2CCN(c3ccccc3F)CC2)CC[C@@H]1NC(=O)[O-] ZINC000739168025 603415112 /nfs/dbraw/zinc/41/51/12/603415112.db2.gz CFEBJYNUPNOGBK-ZBFHGGJFSA-N -1 1 378.448 1.452 20 0 GDADMM CC(C)C[C@H](O)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824238010 607629182 /nfs/dbraw/zinc/62/91/82/607629182.db2.gz YDABFVQCHOQEBI-JTQLQIEISA-N -1 1 393.391 1.571 20 0 GDADMM CCC(O)(CC)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825152799 607629784 /nfs/dbraw/zinc/62/97/84/607629784.db2.gz CFSMYRBBJJRDTE-UHFFFAOYSA-N -1 1 393.391 1.715 20 0 GDADMM Cc1nnc([C@H]2CN(C(=O)NCC3(NC(=O)[O-])CCCCCC3)CCO2)[nH]1 ZINC000830677567 603477089 /nfs/dbraw/zinc/47/70/89/603477089.db2.gz HPTLDTKXZXXDNC-CYBMUJFWSA-N -1 1 380.449 1.557 20 0 GDADMM CC[C@@H](O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825155065 607633896 /nfs/dbraw/zinc/63/38/96/607633896.db2.gz YFKNWQDWCBBKLR-QWHCGFSZSA-N -1 1 385.877 1.834 20 0 GDADMM O=C([O-])N1CCN(C(=O)[C@@H]2CCCN(CN3CC4(CCCC4)CC3=O)C2)CC1 ZINC000832018933 603520902 /nfs/dbraw/zinc/52/09/02/603520902.db2.gz TVYXAEOZYOBZPM-MRXNPFEDSA-N -1 1 392.500 1.271 20 0 GDADMM CCCc1nnc([C@H]2CN(C(=O)N[C@H](CNC(=O)[O-])CC(C)C)CCO2)[nH]1 ZINC000826953999 603526024 /nfs/dbraw/zinc/52/60/24/603526024.db2.gz NLPVPDKKYWUBQV-QWHCGFSZSA-N -1 1 382.465 1.522 20 0 GDADMM CCCc1n[nH]c([C@H]2CN(C(=O)N[C@H](CNC(=O)[O-])CC(C)C)CCO2)n1 ZINC000826953999 603526026 /nfs/dbraw/zinc/52/60/26/603526026.db2.gz NLPVPDKKYWUBQV-QWHCGFSZSA-N -1 1 382.465 1.522 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000826495584 607634862 /nfs/dbraw/zinc/63/48/62/607634862.db2.gz UNBMNXWFLKKLPD-WDEREUQCSA-N -1 1 395.338 1.082 20 0 GDADMM CCN(CC1CCN([C@@H](C)C(=O)NC(=O)NCC(F)(F)F)CC1)C(=O)[O-] ZINC000827089846 603540098 /nfs/dbraw/zinc/54/00/98/603540098.db2.gz XFXQRLJLNJAHQG-JTQLQIEISA-N -1 1 382.383 1.475 20 0 GDADMM CN(CC(=O)N1CCN(Cc2cccs2)CC1)CC(C)(C)CNC(=O)[O-] ZINC000828095840 603547188 /nfs/dbraw/zinc/54/71/88/603547188.db2.gz OYQGCNMUGFLYOO-UHFFFAOYSA-N -1 1 382.530 1.618 20 0 GDADMM O=C([O-])Nc1ccc(CCNC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000740018112 603568431 /nfs/dbraw/zinc/56/84/31/603568431.db2.gz PEGMPVKBKLPKNH-IAGOWNOFSA-N -1 1 376.457 1.560 20 0 GDADMM O=C([O-])N[C@H](CCC(=O)N1CCN(C[C@@H]2CCOC2)CC1)c1ccccc1 ZINC000832121519 603584745 /nfs/dbraw/zinc/58/47/45/603584745.db2.gz WNPLKSTUJFZRMH-FUHWJXTLSA-N -1 1 375.469 1.956 20 0 GDADMM O=C([O-])N[C@H](C(=O)N1CCN(C[C@@H]2CCOC2)CC1)c1cccc(Cl)c1 ZINC000832094646 603585269 /nfs/dbraw/zinc/58/52/69/603585269.db2.gz VFQCNCDNBYLVSQ-BBRMVZONSA-N -1 1 381.860 1.829 20 0 GDADMM CCN(C[C@@H]1CCOC1)CN1C(=O)N[C@]2(CCCC[C@H]2CNC(=O)[O-])C1=O ZINC000827110711 603602803 /nfs/dbraw/zinc/60/28/03/603602803.db2.gz GGAIBAUIEJMISN-DEYYWGMASA-N -1 1 382.461 1.051 20 0 GDADMM COc1ccc([C@H](CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])N2CCCC2)cc1 ZINC000829309740 603633195 /nfs/dbraw/zinc/63/31/95/603633195.db2.gz DKGKMOMYPXKYOB-PVAVHDDUSA-N -1 1 377.441 1.062 20 0 GDADMM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000831629164 603636042 /nfs/dbraw/zinc/63/60/42/603636042.db2.gz YAQASXXUGQCHEU-UHOFOFEASA-N -1 1 381.860 1.706 20 0 GDADMM CN(C)[C@@H](CNC(=O)C(=O)Nc1cccc(CNC(=O)[O-])c1)c1ccccc1 ZINC000827994231 603685595 /nfs/dbraw/zinc/68/55/95/603685595.db2.gz JBBOWCVXXQSGTI-KRWDZBQOSA-N -1 1 384.436 1.812 20 0 GDADMM C[C@@H]1CN(CCCNC(=O)C(=O)Nc2cccc(CNC(=O)[O-])c2)C[C@@H](C)O1 ZINC000826057397 603689578 /nfs/dbraw/zinc/68/95/78/603689578.db2.gz ILDGUHRIVYMMCS-ZIAGYGMSSA-N -1 1 392.456 1.008 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccnc(N3CCN(C)CC3)c2)[C@@H]1CNC(=O)[O-] ZINC000825918038 603692154 /nfs/dbraw/zinc/69/21/54/603692154.db2.gz BKQLASKVIBHYET-GDBMZVCRSA-N -1 1 375.473 1.342 20 0 GDADMM Cc1cc([C@@](C)(O)CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c(C)o1 ZINC000826261366 607645717 /nfs/dbraw/zinc/64/57/17/607645717.db2.gz BWZNLUYZYALKTF-INIZCTEOSA-N -1 1 395.416 1.402 20 0 GDADMM Cc1cc([C@@](C)(O)CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c(C)o1 ZINC000826261366 607645718 /nfs/dbraw/zinc/64/57/18/607645718.db2.gz BWZNLUYZYALKTF-INIZCTEOSA-N -1 1 395.416 1.402 20 0 GDADMM CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000826691466 603716002 /nfs/dbraw/zinc/71/60/02/603716002.db2.gz RQHLFWHQSWTIJG-MUGJNUQGSA-N -1 1 391.512 1.948 20 0 GDADMM COc1cc(OC)cc(N2CC[C@H](N(C)C[C@@H]3CCN(C(=O)[O-])C3)C2=O)c1 ZINC000829211216 603730490 /nfs/dbraw/zinc/73/04/90/603730490.db2.gz OHQPMSHKPQGGDR-GUYCJALGSA-N -1 1 377.441 1.741 20 0 GDADMM CCc1ccccc1NC(=O)CNC(=O)CN(C)C1CCC(NC(=O)[O-])CC1 ZINC000827604725 603781087 /nfs/dbraw/zinc/78/10/87/603781087.db2.gz RIUCZGYUZQPDSD-UHFFFAOYSA-N -1 1 390.484 1.814 20 0 GDADMM C[C@@H](CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)Oc1ccccc1F ZINC000824429833 607650187 /nfs/dbraw/zinc/65/01/87/607650187.db2.gz ZFFSPDLSFMFDPS-JTQLQIEISA-N -1 1 395.391 1.891 20 0 GDADMM C[C@H](CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)Oc1ccc(F)cc1 ZINC000824429446 607650496 /nfs/dbraw/zinc/65/04/96/607650496.db2.gz WYUAYWICZZTZML-SNVBAGLBSA-N -1 1 395.391 1.891 20 0 GDADMM C[C@H](CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)Oc1ccc(F)cc1 ZINC000824429446 607650497 /nfs/dbraw/zinc/65/04/97/607650497.db2.gz WYUAYWICZZTZML-SNVBAGLBSA-N -1 1 395.391 1.891 20 0 GDADMM COc1ccnc(N2CCN(C(=O)N[C@@H]3CCC[C@@H]3CNC(=O)[O-])CC2)c1 ZINC000829650687 603849222 /nfs/dbraw/zinc/84/92/22/603849222.db2.gz UDRHHASEGHLRDN-UKRRQHHQSA-N -1 1 377.445 1.358 20 0 GDADMM COc1ccnc(N2CCN(C(=O)N[C@@H]3CCCC[C@@H]3CNC(=O)[O-])CC2)c1 ZINC000829649313 603868287 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ZINC000829821638 605329574 /nfs/dbraw/zinc/32/95/74/605329574.db2.gz VJXGFCHFPUWOPQ-VIFPVBQESA-N -1 1 385.384 1.462 20 0 GDADMM O=C([O-])NCC(=O)NCC(=O)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000834196713 605364091 /nfs/dbraw/zinc/36/40/91/605364091.db2.gz LQQXWDVYKMVDBQ-GOSISDBHSA-N -1 1 381.392 1.152 20 0 GDADMM O=C([O-])N1CCC(C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)CC1 ZINC000831610158 605522991 /nfs/dbraw/zinc/52/29/91/605522991.db2.gz IZLFZISJMXLFGQ-ROUUACIJSA-N -1 1 375.469 1.376 20 0 GDADMM O=C([O-])N1CCC(CC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000831350237 605523222 /nfs/dbraw/zinc/52/32/22/605523222.db2.gz NRMMHEYLOBFYSJ-MOPGFXCFSA-N -1 1 389.496 1.766 20 0 GDADMM Cn1nc(CN2CCC[C@@H](C(=O)N3CCN(C(=O)[O-])CC3)C2)c2ccccc21 ZINC000833959141 605544914 /nfs/dbraw/zinc/54/49/14/605544914.db2.gz QLCUXVCRFXXZPL-OAHLLOKOSA-N -1 1 385.468 1.608 20 0 GDADMM COC(=O)c1ccc(S(=O)(=O)Nc2ccc(NC(=O)[O-])c(OC)c2)cn1 ZINC000833880592 605627640 /nfs/dbraw/zinc/62/76/40/605627640.db2.gz IZOKMQNQQIZRTO-UHFFFAOYSA-N -1 1 381.366 1.768 20 0 GDADMM COc1ccnc(N2CCN(C(=O)C[C@@H]3CSCCN3C(=O)[O-])CC2)c1 ZINC000829649818 605644102 /nfs/dbraw/zinc/64/41/02/605644102.db2.gz LJOZKXNDGAHRMR-CYBMUJFWSA-N -1 1 380.470 1.224 20 0 GDADMM CC(C)CN1CCO[C@@H](CNC(=O)N2CCC(CCN(C)C(=O)[O-])CC2)C1 ZINC000833797155 605670267 /nfs/dbraw/zinc/67/02/67/605670267.db2.gz TYFBXOJDBYQZAD-KRWDZBQOSA-N -1 1 384.521 1.765 20 0 GDADMM O=C([O-])N[C@@H]1CCC[C@H](C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)C1 ZINC000834169253 605683717 /nfs/dbraw/zinc/68/37/17/605683717.db2.gz SHYADXXSJHZHGP-WJFTUGDTSA-N -1 1 389.496 1.812 20 0 GDADMM O=C([O-])N1CC(CNS(=O)(=O)c2cc(F)c(Br)cc2F)C1 ZINC000834068404 605727055 /nfs/dbraw/zinc/72/70/55/605727055.db2.gz CPNSPSAVPMAJNH-UHFFFAOYSA-N -1 1 385.186 1.615 20 0 GDADMM Cc1nc(S(=O)(=O)NC[C@@H](NC(=O)[O-])C2CC2)sc1Br ZINC000833917295 605785073 /nfs/dbraw/zinc/78/50/73/605785073.db2.gz WQGKKIZIIKSYAQ-SSDOTTSWSA-N -1 1 384.277 1.539 20 0 GDADMM O=C([O-])N1CC[C@@]2(C1)C[C@@H](N[C@@H]1CCCS(=O)(=O)C1)c1ccccc1O2 ZINC000834084191 605850827 /nfs/dbraw/zinc/85/08/27/605850827.db2.gz JKRNXOSSAFBZKJ-SIIHOXLZSA-N -1 1 380.466 1.800 20 0 GDADMM C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000833622432 605938974 /nfs/dbraw/zinc/93/89/74/605938974.db2.gz HQBMANGKWDTDGP-XPTSAGLGSA-N -1 1 399.369 1.941 20 0 GDADMM O=C([O-])NC[C@@H](NCCN1CCCS1(=O)=O)c1ccc2ccccc2c1 ZINC000834206223 605974202 /nfs/dbraw/zinc/97/42/02/605974202.db2.gz JQLIVTAXHSVVNL-QGZVFWFLSA-N -1 1 377.466 1.774 20 0 GDADMM CCc1oc(C(=O)OC)cc1Cn1nc(CC)c(CC)c(-c2nn[n-]n2)c1=O ZINC000821516712 606019731 /nfs/dbraw/zinc/01/97/31/606019731.db2.gz AQDGBZPOAZIOJA-UHFFFAOYSA-N -1 1 386.412 1.539 20 0 GDADMM O=C(NCc1nc(CNc2nccnc2-c2nnn[n-]2)cs1)c1ccccc1 ZINC000823270053 606104924 /nfs/dbraw/zinc/10/49/24/606104924.db2.gz WWOHAPLIAXYFTK-UHFFFAOYSA-N -1 1 393.436 1.655 20 0 GDADMM O=C(NCc1nc(CNc2nccnc2-c2nn[n-]n2)cs1)c1ccccc1 ZINC000823270053 606104926 /nfs/dbraw/zinc/10/49/26/606104926.db2.gz WWOHAPLIAXYFTK-UHFFFAOYSA-N -1 1 393.436 1.655 20 0 GDADMM CC(=O)NCCc1ccc(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000819810209 606131760 /nfs/dbraw/zinc/13/17/60/606131760.db2.gz BODPCNHNZKBFFD-UHFFFAOYSA-N -1 1 399.432 1.647 20 0 GDADMM CC(=O)NCCc1ccc(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000819810209 606131761 /nfs/dbraw/zinc/13/17/61/606131761.db2.gz BODPCNHNZKBFFD-UHFFFAOYSA-N -1 1 399.432 1.647 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)N1CCO[C@H]2CCCC[C@H]21 ZINC000823396934 606135744 /nfs/dbraw/zinc/13/57/44/606135744.db2.gz PELFFWWPYNGZTE-MNOVXSKESA-N -1 1 377.426 1.255 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)N1CCO[C@H]2CCCC[C@H]21 ZINC000823396934 606135747 /nfs/dbraw/zinc/13/57/47/606135747.db2.gz PELFFWWPYNGZTE-MNOVXSKESA-N -1 1 377.426 1.255 20 0 GDADMM O=C(OCc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(-c2nnn[n-]2)s1 ZINC000823413377 606137175 /nfs/dbraw/zinc/13/71/75/606137175.db2.gz GEABNIPGNWVJBK-UHFFFAOYSA-N -1 1 388.796 1.947 20 0 GDADMM O=C(OCc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(-c2nn[n-]n2)s1 ZINC000823413377 606137177 /nfs/dbraw/zinc/13/71/77/606137177.db2.gz GEABNIPGNWVJBK-UHFFFAOYSA-N -1 1 388.796 1.947 20 0 GDADMM COc1cccc(CN(C)C(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821868824 606137839 /nfs/dbraw/zinc/13/78/39/606137839.db2.gz VWZWCLKPIGKQQE-UHFFFAOYSA-N -1 1 387.421 1.752 20 0 GDADMM COc1cccc(CN(C)C(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821868824 606137840 /nfs/dbraw/zinc/13/78/40/606137840.db2.gz VWZWCLKPIGKQQE-UHFFFAOYSA-N -1 1 387.421 1.752 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)NC(=O)NCc1cccs1 ZINC000823026883 606138161 /nfs/dbraw/zinc/13/81/61/606138161.db2.gz HGMRKCVNQDAECK-UHFFFAOYSA-N -1 1 392.422 1.173 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)NC(=O)NCc1cccs1 ZINC000823026883 606138162 /nfs/dbraw/zinc/13/81/62/606138162.db2.gz HGMRKCVNQDAECK-UHFFFAOYSA-N -1 1 392.422 1.173 20 0 GDADMM Cn1nc(C(C)(C)C)cc1NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822704064 606139472 /nfs/dbraw/zinc/13/94/72/606139472.db2.gz GBBCZWCWHRKVRU-UHFFFAOYSA-N -1 1 389.441 1.755 20 0 GDADMM Cn1nc(C(C)(C)C)cc1NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822704064 606139474 /nfs/dbraw/zinc/13/94/74/606139474.db2.gz GBBCZWCWHRKVRU-UHFFFAOYSA-N -1 1 389.441 1.755 20 0 GDADMM C[C@@H]1[C@H](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820642559 606144387 /nfs/dbraw/zinc/14/43/87/606144387.db2.gz KFQXCPSRIQMMIE-HIFRSBDPSA-N -1 1 384.465 1.904 20 0 GDADMM C[C@@H]1[C@H](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820642559 606144388 /nfs/dbraw/zinc/14/43/88/606144388.db2.gz KFQXCPSRIQMMIE-HIFRSBDPSA-N -1 1 384.465 1.904 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H](c2nccn2C)c2ccccc2F)n1 ZINC000822609546 606157673 /nfs/dbraw/zinc/15/76/73/606157673.db2.gz PTDXNTDPAWAADM-ZDUSSCGKSA-N -1 1 396.390 1.384 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H](c2nccn2C)c2ccccc2F)n1 ZINC000822609546 606157674 /nfs/dbraw/zinc/15/76/74/606157674.db2.gz PTDXNTDPAWAADM-ZDUSSCGKSA-N -1 1 396.390 1.384 20 0 GDADMM CC(C)[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1nc2ccccc2[nH]1 ZINC000820026069 606158301 /nfs/dbraw/zinc/15/83/01/606158301.db2.gz HCCSUCZHLKSOKK-ZDUSSCGKSA-N -1 1 380.416 1.995 20 0 GDADMM CC(C)[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1nc2ccccc2[nH]1 ZINC000820026069 606158302 /nfs/dbraw/zinc/15/83/02/606158302.db2.gz HCCSUCZHLKSOKK-ZDUSSCGKSA-N -1 1 380.416 1.995 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)n1 ZINC000822609606 606159938 /nfs/dbraw/zinc/15/99/38/606159938.db2.gz RVCJCMFNBMIXBH-ZDUSSCGKSA-N -1 1 378.400 1.846 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)n1 ZINC000822609606 606159940 /nfs/dbraw/zinc/15/99/40/606159940.db2.gz RVCJCMFNBMIXBH-ZDUSSCGKSA-N -1 1 378.400 1.846 20 0 GDADMM CN(C)c1cc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c2ccccc2n1 ZINC000821588198 606165787 /nfs/dbraw/zinc/16/57/87/606165787.db2.gz GZIIAVBWYHMFRI-UHFFFAOYSA-N -1 1 392.427 1.536 20 0 GDADMM CN(C)c1cc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c2ccccc2n1 ZINC000821588198 606165789 /nfs/dbraw/zinc/16/57/89/606165789.db2.gz GZIIAVBWYHMFRI-UHFFFAOYSA-N -1 1 392.427 1.536 20 0 GDADMM CO[C@H](CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000821677157 606165827 /nfs/dbraw/zinc/16/58/27/606165827.db2.gz PWEOMZYNHQTPLE-GFCCVEGCSA-N -1 1 376.808 1.763 20 0 GDADMM CO[C@H](CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000821677157 606165829 /nfs/dbraw/zinc/16/58/29/606165829.db2.gz PWEOMZYNHQTPLE-GFCCVEGCSA-N -1 1 376.808 1.763 20 0 GDADMM COc1cccc(N2CC[C@@H](NC(=O)Nc3nn(C)cc3-c3nnn[n-]3)C2)c1 ZINC000821871637 606169833 /nfs/dbraw/zinc/16/98/33/606169833.db2.gz BUNNWSPOIWHKBY-LLVKDONJSA-N -1 1 383.416 1.009 20 0 GDADMM COc1cccc(N2CC[C@@H](NC(=O)Nc3nn(C)cc3-c3nn[n-]n3)C2)c1 ZINC000821871637 606169835 /nfs/dbraw/zinc/16/98/35/606169835.db2.gz BUNNWSPOIWHKBY-LLVKDONJSA-N -1 1 383.416 1.009 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCc2ccc(OC(F)F)cc2)n1 ZINC000822620254 606170559 /nfs/dbraw/zinc/17/05/59/606170559.db2.gz OLHMGBSHKXTWEO-UHFFFAOYSA-N -1 1 378.343 1.566 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCc2ccc(OC(F)F)cc2)n1 ZINC000822620254 606170561 /nfs/dbraw/zinc/17/05/61/606170561.db2.gz OLHMGBSHKXTWEO-UHFFFAOYSA-N -1 1 378.343 1.566 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCc2ccc(OC(F)(F)F)cc2)n1 ZINC000822620635 606171654 /nfs/dbraw/zinc/17/16/54/606171654.db2.gz ZVIBZXDXGRVNEV-UHFFFAOYSA-N -1 1 396.333 1.863 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCc2ccc(OC(F)(F)F)cc2)n1 ZINC000822620635 606171656 /nfs/dbraw/zinc/17/16/56/606171656.db2.gz ZVIBZXDXGRVNEV-UHFFFAOYSA-N -1 1 396.333 1.863 20 0 GDADMM C[C@@H]1CCc2c(F)cccc2[C@@H]1Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820728441 606200819 /nfs/dbraw/zinc/20/08/19/606200819.db2.gz VSOFDASSDDFJAR-YMTOWFKASA-N -1 1 385.403 1.139 20 0 GDADMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)[C@H](O)c1c(F)cccc1Cl ZINC000820391381 606290072 /nfs/dbraw/zinc/29/00/72/606290072.db2.gz OMPUZZQIIQQLIL-RTHLEPHNSA-N -1 1 376.779 1.906 20 0 GDADMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)[C@H](O)c1c(F)cccc1Cl ZINC000820391381 606290073 /nfs/dbraw/zinc/29/00/73/606290073.db2.gz OMPUZZQIIQQLIL-RTHLEPHNSA-N -1 1 376.779 1.906 20 0 GDADMM COCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(-c2nn[n-]n2)s1 ZINC000821691384 606393957 /nfs/dbraw/zinc/39/39/57/606393957.db2.gz SCXOWHMTLVUTDG-GFCCVEGCSA-N -1 1 378.414 1.088 20 0 GDADMM C[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1c(F)cccc1Cl ZINC000820450801 606421571 /nfs/dbraw/zinc/42/15/71/606421571.db2.gz PFVAXTFRYGLFCL-ZETCQYMHSA-N -1 1 379.783 1.230 20 0 GDADMM CC[C@@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)Oc1ccccc1C ZINC000820907990 606435422 /nfs/dbraw/zinc/43/54/22/606435422.db2.gz HPMJPNYPFBTJMQ-ZDUSSCGKSA-N -1 1 388.453 1.706 20 0 GDADMM CC[C@@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)Oc1ccccc1C ZINC000820907990 606435429 /nfs/dbraw/zinc/43/54/29/606435429.db2.gz HPMJPNYPFBTJMQ-ZDUSSCGKSA-N -1 1 388.453 1.706 20 0 GDADMM O=C(NCC(F)F)C(=O)Nc1ccccc1Oc1ncccc1-c1nn[n-]n1 ZINC000823160979 606457824 /nfs/dbraw/zinc/45/78/24/606457824.db2.gz JAJKEOGWUJFOQE-UHFFFAOYSA-N -1 1 389.322 1.374 20 0 GDADMM C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1Nc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000820768579 606472639 /nfs/dbraw/zinc/47/26/39/606472639.db2.gz OFGVXYCNTDZOHM-DGCLKSJQSA-N -1 1 387.469 1.497 20 0 GDADMM C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1Nc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000820768579 606472641 /nfs/dbraw/zinc/47/26/41/606472641.db2.gz OFGVXYCNTDZOHM-DGCLKSJQSA-N -1 1 387.469 1.497 20 0 GDADMM Cc1ccc([C@@H]2[C@H](C)CCCN2c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1 ZINC000822231662 606475696 /nfs/dbraw/zinc/47/56/96/606475696.db2.gz CCAMDWOYQYMFOY-CJNGLKHVSA-N -1 1 395.467 1.550 20 0 GDADMM O=C(Nc1ccc2nc3n(c(=O)c2c1)CCC3)c1ccc(-c2nnn[n-]2)s1 ZINC000823356028 606509353 /nfs/dbraw/zinc/50/93/53/606509353.db2.gz INHSMPGYSVODHG-UHFFFAOYSA-N -1 1 379.405 1.837 20 0 GDADMM O=C(Nc1ccc2nc3n(c(=O)c2c1)CCC3)c1ccc(-c2nn[n-]n2)s1 ZINC000823356028 606509354 /nfs/dbraw/zinc/50/93/54/606509354.db2.gz INHSMPGYSVODHG-UHFFFAOYSA-N -1 1 379.405 1.837 20 0 GDADMM COc1cc(OC)c(CNC(=O)c2ccc(-c3nnn[n-]3)s2)c(OC)c1 ZINC000821724693 606513610 /nfs/dbraw/zinc/51/36/10/606513610.db2.gz WKCWVJMLNRQYBX-UHFFFAOYSA-N -1 1 375.410 1.884 20 0 GDADMM COc1cc(OC)c(CNC(=O)c2ccc(-c3nn[n-]n3)s2)c(OC)c1 ZINC000821724693 606513612 /nfs/dbraw/zinc/51/36/12/606513612.db2.gz WKCWVJMLNRQYBX-UHFFFAOYSA-N -1 1 375.410 1.884 20 0 GDADMM CCOC(=O)C1(NC(=O)c2ccc(-c3nnn[n-]3)s2)Cc2ccccc2C1 ZINC000821320448 606542395 /nfs/dbraw/zinc/54/23/95/606542395.db2.gz NELPBVBLNBQGFP-UHFFFAOYSA-N -1 1 383.433 1.759 20 0 GDADMM CCOC(=O)C1(NC(=O)c2ccc(-c3nn[n-]n3)s2)Cc2ccccc2C1 ZINC000821320448 606542396 /nfs/dbraw/zinc/54/23/96/606542396.db2.gz NELPBVBLNBQGFP-UHFFFAOYSA-N -1 1 383.433 1.759 20 0 GDADMM O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823139270 606543127 /nfs/dbraw/zinc/54/31/27/606543127.db2.gz BFLLBMRUBPVJHV-AWEZNQCLSA-N -1 1 396.476 1.892 20 0 GDADMM O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823139270 606543128 /nfs/dbraw/zinc/54/31/28/606543128.db2.gz BFLLBMRUBPVJHV-AWEZNQCLSA-N -1 1 396.476 1.892 20 0 GDADMM COC(=O)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)Cc1cccc(F)c1 ZINC000821641161 606553786 /nfs/dbraw/zinc/55/37/86/606553786.db2.gz XDDHYIDZEJJBIC-NSHDSACASA-N -1 1 389.412 1.829 20 0 GDADMM COC(=O)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)Cc1cccc(F)c1 ZINC000821641161 606553787 /nfs/dbraw/zinc/55/37/87/606553787.db2.gz XDDHYIDZEJJBIC-NSHDSACASA-N -1 1 389.412 1.829 20 0 GDADMM Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822226280 606568012 /nfs/dbraw/zinc/56/80/12/606568012.db2.gz KTJXZZOMTHEDFG-UHFFFAOYSA-N -1 1 398.448 1.961 20 0 GDADMM Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822226280 606568013 /nfs/dbraw/zinc/56/80/13/606568013.db2.gz KTJXZZOMTHEDFG-UHFFFAOYSA-N -1 1 398.448 1.961 20 0 GDADMM NC(=O)C1CCN(c2cccc(NC(=O)c3ccc(-c4nnn[n-]4)s3)c2)CC1 ZINC000822865300 606569887 /nfs/dbraw/zinc/56/98/87/606569887.db2.gz ZWPRWUPVWFXKDP-UHFFFAOYSA-N -1 1 397.464 1.882 20 0 GDADMM NC(=O)C1CCN(c2cccc(NC(=O)c3ccc(-c4nn[n-]n4)s3)c2)CC1 ZINC000822865300 606569890 /nfs/dbraw/zinc/56/98/90/606569890.db2.gz ZWPRWUPVWFXKDP-UHFFFAOYSA-N -1 1 397.464 1.882 20 0 GDADMM CCCCC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)C(=O)OC ZINC000821048324 606584678 /nfs/dbraw/zinc/58/46/78/606584678.db2.gz AIGAEJVPWOPVHN-LLVKDONJSA-N -1 1 394.457 1.541 20 0 GDADMM CS(=O)(=O)Cc1ccccc1CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821933208 606586098 /nfs/dbraw/zinc/58/60/98/606586098.db2.gz XMAOIIQFZKOAAO-UHFFFAOYSA-N -1 1 377.451 1.403 20 0 GDADMM CS(=O)(=O)Cc1ccccc1CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821933208 606586100 /nfs/dbraw/zinc/58/61/00/606586100.db2.gz XMAOIIQFZKOAAO-UHFFFAOYSA-N -1 1 377.451 1.403 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC[C@H]2CCO[C@@H]2C(C)C)cc1-c1nn[n-]n1 ZINC000821979814 606600129 /nfs/dbraw/zinc/60/01/29/606600129.db2.gz YOTAXKRZRCTQOH-BXKDBHETSA-N -1 1 378.458 1.480 20 0 GDADMM CCOCCNC(=O)CNc1ccccc1Oc1ncccc1-c1nn[n-]n1 ZINC000821377505 606600366 /nfs/dbraw/zinc/60/03/66/606600366.db2.gz CZMILOWEXVXLNK-UHFFFAOYSA-N -1 1 383.412 1.619 20 0 GDADMM NC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000822885395 606611848 /nfs/dbraw/zinc/61/18/48/606611848.db2.gz OFNNDLWGZMUSSO-UHFFFAOYSA-N -1 1 380.336 1.045 20 0 GDADMM Cc1nccn1C[C@H](C)OC(=O)CCc1c(C)[nH]c(=O)c(-c2nnn[n-]2)c1C ZINC000822010362 606632906 /nfs/dbraw/zinc/63/29/06/606632906.db2.gz ZLWJFKKLLDKUIG-JTQLQIEISA-N -1 1 385.428 1.654 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CCO[C@@H](c3ccco3)C2)cc1-c1nn[n-]n1 ZINC000821970240 606633209 /nfs/dbraw/zinc/63/32/09/606633209.db2.gz MFQIFRGNMNWURB-GFCCVEGCSA-N -1 1 388.409 1.496 20 0 GDADMM Cc1nnnn1C(=Cc1ccccc1)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822519595 606650602 /nfs/dbraw/zinc/65/06/02/606650602.db2.gz JDFYRESDOPWRQP-YBEGLDIGSA-N -1 1 389.379 1.298 20 0 GDADMM Cc1nnnn1C(=Cc1ccccc1)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822519595 606650603 /nfs/dbraw/zinc/65/06/03/606650603.db2.gz JDFYRESDOPWRQP-YBEGLDIGSA-N -1 1 389.379 1.298 20 0 GDADMM Cc1ccc(NC(=O)CSCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000822249029 606653480 /nfs/dbraw/zinc/65/34/80/606653480.db2.gz YZHFHGSRUPEVBS-UHFFFAOYSA-N -1 1 398.448 1.985 20 0 GDADMM Cc1ccc(NC(=O)CSCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000822249029 606653481 /nfs/dbraw/zinc/65/34/81/606653481.db2.gz YZHFHGSRUPEVBS-UHFFFAOYSA-N -1 1 398.448 1.985 20 0 GDADMM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)[nH]n1 ZINC000822341550 606655836 /nfs/dbraw/zinc/65/58/36/606655836.db2.gz ZQCLONLVVJTERQ-UHFFFAOYSA-N -1 1 382.409 1.761 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC[C@@]1(C)CCCO1 ZINC000822459874 606688271 /nfs/dbraw/zinc/68/82/71/606688271.db2.gz ZTWIIZKEPWILGB-GOSISDBHSA-N -1 1 384.444 1.144 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC[C@@]1(C)CCCO1 ZINC000822459874 606688272 /nfs/dbraw/zinc/68/82/72/606688272.db2.gz ZTWIIZKEPWILGB-GOSISDBHSA-N -1 1 384.444 1.144 20 0 GDADMM CC[C@@H]1CC(=O)N(CN2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)C1 ZINC000820966647 606705053 /nfs/dbraw/zinc/70/50/53/606705053.db2.gz GDAWUESHYQTMQB-GFCCVEGCSA-N -1 1 386.460 1.070 20 0 GDADMM CSCc1cc(F)ccc1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821969812 606743390 /nfs/dbraw/zinc/74/33/90/606743390.db2.gz FOMQONKVUYVKMK-UHFFFAOYSA-N -1 1 394.457 1.742 20 0 GDADMM CSCc1cc(F)ccc1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821969812 606743391 /nfs/dbraw/zinc/74/33/91/606743391.db2.gz FOMQONKVUYVKMK-UHFFFAOYSA-N -1 1 394.457 1.742 20 0 GDADMM COc1ccc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cc1 ZINC000821831551 606767670 /nfs/dbraw/zinc/76/76/70/606767670.db2.gz DMMVBAHZFOUDKS-LBPRGKRZSA-N -1 1 395.427 1.408 20 0 GDADMM COc1ccc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cc1 ZINC000821831551 606767672 /nfs/dbraw/zinc/76/76/72/606767672.db2.gz DMMVBAHZFOUDKS-LBPRGKRZSA-N -1 1 395.427 1.408 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]32)cc1-c1nn[n-]n1 ZINC000821976801 606768939 /nfs/dbraw/zinc/76/89/39/606768939.db2.gz DGGWDGXJIYAVRM-GGZOMVNGSA-N -1 1 376.442 1.377 20 0 GDADMM C[C@H](NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)c1cccs1 ZINC000820351766 606786540 /nfs/dbraw/zinc/78/65/40/606786540.db2.gz RGTSRNXWNVNONO-RYUDHWBXSA-N -1 1 399.484 1.700 20 0 GDADMM C[C@H](NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)c1cccs1 ZINC000820351766 606786542 /nfs/dbraw/zinc/78/65/42/606786542.db2.gz RGTSRNXWNVNONO-RYUDHWBXSA-N -1 1 399.484 1.700 20 0 GDADMM C[C@H]1CN(C(=O)C2CC2)CC[C@H]1Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000820733870 606804898 /nfs/dbraw/zinc/80/48/98/606804898.db2.gz JPGCWMSBOSDBPL-SMDDNHRTSA-N -1 1 378.440 1.869 20 0 GDADMM C[C@H]1CN(C(=O)C2CC2)CC[C@H]1Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000820733870 606804899 /nfs/dbraw/zinc/80/48/99/606804899.db2.gz JPGCWMSBOSDBPL-SMDDNHRTSA-N -1 1 378.440 1.869 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1ncnc2sccc21 ZINC000820804296 606807629 /nfs/dbraw/zinc/80/76/29/606807629.db2.gz PUQHOZCQXVROTK-JTQLQIEISA-N -1 1 380.441 1.377 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1ncnc2sccc21 ZINC000820804296 606807630 /nfs/dbraw/zinc/80/76/30/606807630.db2.gz PUQHOZCQXVROTK-JTQLQIEISA-N -1 1 380.441 1.377 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)Cc1ccccc1Cl ZINC000820776257 606818507 /nfs/dbraw/zinc/81/85/07/606818507.db2.gz LIGNHZYNLHEJEA-GFCCVEGCSA-N -1 1 398.858 1.590 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)Cc1ccccc1Cl ZINC000820776257 606818509 /nfs/dbraw/zinc/81/85/09/606818509.db2.gz LIGNHZYNLHEJEA-GFCCVEGCSA-N -1 1 398.858 1.590 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@H]1CCc2ccccc21 ZINC000820775779 606822970 /nfs/dbraw/zinc/82/29/70/606822970.db2.gz JEMCKHWKXIQFFC-BBRMVZONSA-N -1 1 390.451 1.424 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@H]1CCc2ccccc21 ZINC000820775779 606822971 /nfs/dbraw/zinc/82/29/71/606822971.db2.gz JEMCKHWKXIQFFC-BBRMVZONSA-N -1 1 390.451 1.424 20 0 GDADMM Cc1ccc([C@H](C)C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)o1 ZINC000822227903 606825647 /nfs/dbraw/zinc/82/56/47/606825647.db2.gz ZTVPILKEKHSHAZ-AAEUAGOBSA-N -1 1 382.428 1.399 20 0 GDADMM Cc1ccc([C@H](C)C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)o1 ZINC000822227903 606825649 /nfs/dbraw/zinc/82/56/49/606825649.db2.gz ZTVPILKEKHSHAZ-AAEUAGOBSA-N -1 1 382.428 1.399 20 0 GDADMM Cc1ccc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c(F)c1 ZINC000822248378 606832404 /nfs/dbraw/zinc/83/24/04/606832404.db2.gz CKLYQEAZUIXCBZ-GFCCVEGCSA-N -1 1 397.418 1.847 20 0 GDADMM Cc1ccc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c(F)c1 ZINC000822248378 606832406 /nfs/dbraw/zinc/83/24/06/606832406.db2.gz CKLYQEAZUIXCBZ-GFCCVEGCSA-N -1 1 397.418 1.847 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@@]2(CCCOC2)C1 ZINC000823607840 606846257 /nfs/dbraw/zinc/84/62/57/606846257.db2.gz YBZWNDPIGVCKFU-MRXNPFEDSA-N -1 1 381.433 1.587 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000823601116 606847597 /nfs/dbraw/zinc/84/75/97/606847597.db2.gz RSKWXAZJNWHORI-OLZOCXBDSA-N -1 1 399.860 1.089 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000823606245 606847608 /nfs/dbraw/zinc/84/76/08/606847608.db2.gz HHKKIFKGBKKNEL-NWDGAFQWSA-N -1 1 399.860 1.089 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000823606245 606847610 /nfs/dbraw/zinc/84/76/10/606847610.db2.gz HHKKIFKGBKKNEL-NWDGAFQWSA-N -1 1 399.860 1.089 20 0 GDADMM CC[C@@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)c1ccccc1 ZINC000820843383 606854945 /nfs/dbraw/zinc/85/49/45/606854945.db2.gz XHKDUHWJCJNJTD-GOEBONIOSA-N -1 1 392.467 1.888 20 0 GDADMM CC[C@@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)c1ccccc1 ZINC000820843383 606854946 /nfs/dbraw/zinc/85/49/46/606854946.db2.gz XHKDUHWJCJNJTD-GOEBONIOSA-N -1 1 392.467 1.888 20 0 GDADMM COC(=O)Cc1cccc([N-]S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)c1 ZINC000821663696 606872413 /nfs/dbraw/zinc/87/24/13/606872413.db2.gz KEMBQGAFOKFBHO-UHFFFAOYSA-N -1 1 387.421 1.691 20 0 GDADMM CCO[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C12CCC2 ZINC000821359874 606874934 /nfs/dbraw/zinc/87/49/34/606874934.db2.gz PFQKAHFRPOWBIC-CABCVRRESA-N -1 1 395.460 1.974 20 0 GDADMM CCO[C@@H]1C[C@H](N(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C12CCC2 ZINC000821359617 606875237 /nfs/dbraw/zinc/87/52/37/606875237.db2.gz OFGFPMROFRXCCM-UONOGXRCSA-N -1 1 395.460 1.974 20 0 GDADMM CCO[C@@H]1C[C@H](N(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C12CCC2 ZINC000821359617 606875238 /nfs/dbraw/zinc/87/52/38/606875238.db2.gz OFGFPMROFRXCCM-UONOGXRCSA-N -1 1 395.460 1.974 20 0 GDADMM O=S(=O)(NCc1csc(-c2ccco2)n1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823578146 606875710 /nfs/dbraw/zinc/87/57/10/606875710.db2.gz IUDSLTSIKUQLAA-UHFFFAOYSA-N -1 1 389.422 1.457 20 0 GDADMM O=S(=O)(NCc1csc(-c2ccco2)n1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823578146 606875712 /nfs/dbraw/zinc/87/57/12/606875712.db2.gz IUDSLTSIKUQLAA-UHFFFAOYSA-N -1 1 389.422 1.457 20 0 GDADMM O=S(=O)(N[C@@H]1CC2(CCC2)Oc2ccccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000823573652 606898139 /nfs/dbraw/zinc/89/81/39/606898139.db2.gz YIKXNUYYLIHUKA-OAHLLOKOSA-N -1 1 398.448 1.987 20 0 GDADMM O=S(=O)(N[C@@H]1CC2(CCC2)Oc2ccccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000823573652 606898140 /nfs/dbraw/zinc/89/81/40/606898140.db2.gz YIKXNUYYLIHUKA-OAHLLOKOSA-N -1 1 398.448 1.987 20 0 GDADMM COc1cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)ccc1F ZINC000821702996 606922968 /nfs/dbraw/zinc/92/29/68/606922968.db2.gz JYYLRYWIXVGDJU-LLVKDONJSA-N -1 1 398.402 1.155 20 0 GDADMM COc1cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)ccc1F ZINC000821702996 606922970 /nfs/dbraw/zinc/92/29/70/606922970.db2.gz JYYLRYWIXVGDJU-LLVKDONJSA-N -1 1 398.402 1.155 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N[C@H]1CCC(F)(F)C1 ZINC000820788702 606934216 /nfs/dbraw/zinc/93/42/16/606934216.db2.gz MPBLECLTTXNEMX-MNOVXSKESA-N -1 1 393.402 1.065 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N[C@H]1CCC(F)(F)C1 ZINC000820788702 606934217 /nfs/dbraw/zinc/93/42/17/606934217.db2.gz MPBLECLTTXNEMX-MNOVXSKESA-N -1 1 393.402 1.065 20 0 GDADMM C[C@@H]1CC[C@H](C(=O)OCC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)O1 ZINC000820678800 606952459 /nfs/dbraw/zinc/95/24/59/606952459.db2.gz YNNPBQPQIYSHHZ-BXUZGUMPSA-N -1 1 397.395 1.102 20 0 GDADMM C[C@@H]1CC[C@H](C(=O)OCC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)O1 ZINC000820678800 606952461 /nfs/dbraw/zinc/95/24/61/606952461.db2.gz YNNPBQPQIYSHHZ-BXUZGUMPSA-N -1 1 397.395 1.102 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCCc2ccc3c(c2)OCCO3)n1 ZINC000822614039 606956529 /nfs/dbraw/zinc/95/65/29/606956529.db2.gz ITXDTOSDEMGXOV-UHFFFAOYSA-N -1 1 384.400 1.126 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCCc2ccc3c(c2)OCCO3)n1 ZINC000822614039 606956531 /nfs/dbraw/zinc/95/65/31/606956531.db2.gz ITXDTOSDEMGXOV-UHFFFAOYSA-N -1 1 384.400 1.126 20 0 GDADMM C[C@@H](C[C@@H](O)c1ccc(F)cc1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820235673 607005999 /nfs/dbraw/zinc/00/59/99/607005999.db2.gz UCIPOZJYJNNDHS-ZUZCIYMTSA-N -1 1 392.416 1.191 20 0 GDADMM C[C@@H](C[C@@H](O)c1ccc(F)cc1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820235673 607006001 /nfs/dbraw/zinc/00/60/01/607006001.db2.gz UCIPOZJYJNNDHS-ZUZCIYMTSA-N -1 1 392.416 1.191 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC3(CC2)OCc2ccccc23)n1 ZINC000822609565 607138340 /nfs/dbraw/zinc/13/83/40/607138340.db2.gz QDTWHYHGDRJUOR-UHFFFAOYSA-N -1 1 380.412 1.654 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC3(CC2)OCc2ccccc23)n1 ZINC000822609565 607138342 /nfs/dbraw/zinc/13/83/42/607138342.db2.gz QDTWHYHGDRJUOR-UHFFFAOYSA-N -1 1 380.412 1.654 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC(CC(F)(F)F)C1 ZINC000822004767 607139464 /nfs/dbraw/zinc/13/94/64/607139464.db2.gz KJUCWPUQIFHWTQ-UHFFFAOYSA-N -1 1 384.362 1.928 20 0 GDADMM O=C(Cc1ccc(O)cc1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000823082162 607142717 /nfs/dbraw/zinc/14/27/17/607142717.db2.gz BWQPMBCCUOZJLY-UHFFFAOYSA-N -1 1 395.423 1.329 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cc1-c1nn[n-]n1 ZINC000821970469 607159852 /nfs/dbraw/zinc/15/98/52/607159852.db2.gz OCGKYIXXPSHZTB-QGHHPUGFSA-N -1 1 390.469 1.456 20 0 GDADMM OC[C@@H](CNc1nccnc1-c1nnn[n-]1)Cc1ccc(C(F)(F)F)cc1 ZINC000823706982 607176861 /nfs/dbraw/zinc/17/68/61/607176861.db2.gz TYUGCFSIBAQQTK-LLVKDONJSA-N -1 1 379.346 1.939 20 0 GDADMM OC[C@@H](CNc1nccnc1-c1nn[n-]n1)Cc1ccc(C(F)(F)F)cc1 ZINC000823706982 607176862 /nfs/dbraw/zinc/17/68/62/607176862.db2.gz TYUGCFSIBAQQTK-LLVKDONJSA-N -1 1 379.346 1.939 20 0 GDADMM CC(C)c1nc(-c2ccccc2NC(=O)Cn2cnc(-c3nn[n-]n3)n2)n[nH]1 ZINC000820197445 607209257 /nfs/dbraw/zinc/20/92/57/607209257.db2.gz IWBZTCLHJYSJRT-UHFFFAOYSA-N -1 1 379.388 1.005 20 0 GDADMM CN(C)c1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c(C(F)(F)F)c1 ZINC000821589597 607209537 /nfs/dbraw/zinc/20/95/37/607209537.db2.gz VLPCFEAJVVPJPC-UHFFFAOYSA-N -1 1 381.322 1.182 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccc(-c2cn3c(n2)CCCC3)c1 ZINC000823136304 607209715 /nfs/dbraw/zinc/20/97/15/607209715.db2.gz UTTNABRMMAFWMA-UHFFFAOYSA-N -1 1 390.411 1.297 20 0 GDADMM Cc1csc(Nc2cccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)c2)n1 ZINC000822414500 607209748 /nfs/dbraw/zinc/20/97/48/607209748.db2.gz HZTCNEXCMHDNLH-UHFFFAOYSA-N -1 1 382.413 1.605 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000823136360 607210993 /nfs/dbraw/zinc/21/09/93/607210993.db2.gz XOIYEZHLMDBVQO-UHFFFAOYSA-N -1 1 397.786 1.938 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000823123350 607213876 /nfs/dbraw/zinc/21/38/76/607213876.db2.gz XLDSZUMZKFIMRR-UHFFFAOYSA-N -1 1 394.439 1.365 20 0 GDADMM COc1ccc(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1OC1CCCC1 ZINC000821798991 607214381 /nfs/dbraw/zinc/21/43/81/607214381.db2.gz WYFMSBXVTRRNPU-UHFFFAOYSA-N -1 1 398.427 1.105 20 0 GDADMM CCCN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000821083257 607218795 /nfs/dbraw/zinc/21/87/95/607218795.db2.gz WLPMNYZMMWSLDE-KGLIPLIRSA-N -1 1 388.476 1.435 20 0 GDADMM C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820819326 607223568 /nfs/dbraw/zinc/22/35/68/607223568.db2.gz HOEQGJAHLURIEM-MRVPVSSYSA-N -1 1 393.238 1.911 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000823123247 607235287 /nfs/dbraw/zinc/23/52/87/607235287.db2.gz UMBDQGVVUSYVFN-LLVKDONJSA-N -1 1 399.484 1.200 20 0 GDADMM CSc1nc(C)c(CCC(=O)N(C)c2ccccc2-c2nn[nH]n2)c(=O)[n-]1 ZINC000826231628 607788577 /nfs/dbraw/zinc/78/85/77/607788577.db2.gz STKZOQYZUUKSRV-UHFFFAOYSA-N -1 1 385.453 1.988 20 0 GDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(C)c1ccccc1-c1nn[nH]n1 ZINC000826328644 607790282 /nfs/dbraw/zinc/79/02/82/607790282.db2.gz YMJKQJWSUYRKRD-UHFFFAOYSA-N -1 1 378.396 1.437 20 0 GDADMM NC(=O)N1CCc2cc([N-]S(=O)(=O)c3cccc(-c4nn[nH]n4)c3)ccc21 ZINC000826392423 607809950 /nfs/dbraw/zinc/80/99/50/607809950.db2.gz XSQIWTVSJJAIJV-UHFFFAOYSA-N -1 1 385.409 1.109 20 0 GDADMM C[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)[C@@H]1COc2ccccc21 ZINC000824640214 607852449 /nfs/dbraw/zinc/85/24/49/607852449.db2.gz DCKCSMOTLPIJRL-HZMBPMFUSA-N -1 1 389.412 1.849 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CC[C@H](C2CCOCC2)C1 ZINC000826495159 607853201 /nfs/dbraw/zinc/85/32/01/607853201.db2.gz FEPWANSIIQIMOO-LBPRGKRZSA-N -1 1 381.433 1.443 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CC[C@H](C2CCOCC2)C1 ZINC000826495358 607853360 /nfs/dbraw/zinc/85/33/60/607853360.db2.gz MYYTWWITLYDSEY-LBPRGKRZSA-N -1 1 381.433 1.443 20 0 GDADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)NCCOc1cccc(F)c1 ZINC000826418677 607864855 /nfs/dbraw/zinc/86/48/55/607864855.db2.gz QXSZIQVUDSAVSK-UHFFFAOYSA-N -1 1 375.335 1.719 20 0 GDADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)NCCOc1cccc(F)c1 ZINC000826418677 607864856 /nfs/dbraw/zinc/86/48/56/607864856.db2.gz QXSZIQVUDSAVSK-UHFFFAOYSA-N -1 1 375.335 1.719 20 0 GDADMM O=S(=O)(NC[C@@H](CO)Cc1ccccc1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826489701 607906447 /nfs/dbraw/zinc/90/64/47/607906447.db2.gz XMIAUNSZIUMFQM-ZDUSSCGKSA-N -1 1 391.428 1.135 20 0 GDADMM CC(C)Oc1cccc(CN(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000824334602 607906835 /nfs/dbraw/zinc/90/68/35/607906835.db2.gz YSYLCCYTYQGLHK-UHFFFAOYSA-N -1 1 388.453 1.870 20 0 GDADMM CC(C)Oc1cccc(CN(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000824334602 607906836 /nfs/dbraw/zinc/90/68/36/607906836.db2.gz YSYLCCYTYQGLHK-UHFFFAOYSA-N -1 1 388.453 1.870 20 0 GDADMM CCC[C@H]1CN(CC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)CCO1 ZINC000825255868 607992861 /nfs/dbraw/zinc/99/28/61/607992861.db2.gz ZCTVETHEAIHNTD-HNNXBMFYSA-N -1 1 396.455 1.492 20 0 GDADMM CCC[C@H]1CN(CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)CCO1 ZINC000825255868 607992862 /nfs/dbraw/zinc/99/28/62/607992862.db2.gz ZCTVETHEAIHNTD-HNNXBMFYSA-N -1 1 396.455 1.492 20 0 GDADMM CN(C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)[C@H]1CCNC1=O ZINC000825820634 607993683 /nfs/dbraw/zinc/99/36/83/607993683.db2.gz NGUPMGVPHSODRP-ZDUSSCGKSA-N -1 1 397.464 1.625 20 0 GDADMM CN1C(=O)C[C@@H](C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])[C@H]1c1cccnc1 ZINC000826010042 607997355 /nfs/dbraw/zinc/99/73/55/607997355.db2.gz BFPWFOVFFCIUGU-MLGOLLRUSA-N -1 1 379.380 1.125 20 0 GDADMM CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000824337635 607997840 /nfs/dbraw/zinc/99/78/40/607997840.db2.gz FBGWTSUOLREOIA-ZDUSSCGKSA-N -1 1 375.433 1.633 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000826451001 607998175 /nfs/dbraw/zinc/99/81/75/607998175.db2.gz LYHANEBXPDKXLW-HNNXBMFYSA-N -1 1 378.392 1.816 20 0 GDADMM CCOC(=O)CC[C@H](C)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000825506089 608027852 /nfs/dbraw/zinc/02/78/52/608027852.db2.gz DLRUQYJQJVWODY-JTQLQIEISA-N -1 1 390.444 1.365 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCC(=O)C(C)(C)C ZINC000826328635 608078877 /nfs/dbraw/zinc/07/88/77/608078877.db2.gz YGNLZNCHUZINIX-UHFFFAOYSA-N -1 1 384.444 1.190 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCC(=O)C(C)(C)C ZINC000826328635 608078878 /nfs/dbraw/zinc/07/88/78/608078878.db2.gz YGNLZNCHUZINIX-UHFFFAOYSA-N -1 1 384.444 1.190 20 0 GDADMM CCc1ccc(-c2noc(Cn3nc(C)c(C)c(-c4nn[n-]n4)c3=O)n2)cc1 ZINC000825704930 608079160 /nfs/dbraw/zinc/07/91/60/608079160.db2.gz QTTKRBUQLOZICE-UHFFFAOYSA-N -1 1 378.396 1.701 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCC(=O)c1cccs1 ZINC000826233204 608079382 /nfs/dbraw/zinc/07/93/82/608079382.db2.gz XWJCJEWKCHTXBT-UHFFFAOYSA-N -1 1 386.437 1.577 20 0 GDADMM Cc1ocnc1CNC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000826328647 608109174 /nfs/dbraw/zinc/10/91/74/608109174.db2.gz YOLRANITPNHWEN-UHFFFAOYSA-N -1 1 381.400 1.072 20 0 GDADMM Cc1ocnc1CNC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000826328647 608109175 /nfs/dbraw/zinc/10/91/75/608109175.db2.gz YOLRANITPNHWEN-UHFFFAOYSA-N -1 1 381.400 1.072 20 0 GDADMM CC(C)(C)[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCO1 ZINC000824079867 608111234 /nfs/dbraw/zinc/11/12/34/608111234.db2.gz RMAOSSSRBVDTOD-FZMZJTMJSA-N -1 1 383.449 1.878 20 0 GDADMM C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000824466535 608114421 /nfs/dbraw/zinc/11/44/21/608114421.db2.gz XYEVOPUAFBRQMY-SNVBAGLBSA-N -1 1 381.421 1.457 20 0 GDADMM C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000824466535 608114422 /nfs/dbraw/zinc/11/44/22/608114422.db2.gz XYEVOPUAFBRQMY-SNVBAGLBSA-N -1 1 381.421 1.457 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)OCC2(CO)COC2)c1-c1nnn[n-]1 ZINC000826231477 608115708 /nfs/dbraw/zinc/11/57/08/608115708.db2.gz NBWXPNOTZMEKQG-UHFFFAOYSA-N -1 1 377.426 1.027 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)OCC2(CO)COC2)c1-c1nn[n-]n1 ZINC000826231477 608115709 /nfs/dbraw/zinc/11/57/09/608115709.db2.gz NBWXPNOTZMEKQG-UHFFFAOYSA-N -1 1 377.426 1.027 20 0 GDADMM COc1ccccc1[C@H]1CCCCN1c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000826219232 608124163 /nfs/dbraw/zinc/12/41/63/608124163.db2.gz WIJKLFSOZPUPII-CYBMUJFWSA-N -1 1 397.439 1.004 20 0 GDADMM COCc1nsc(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)n1 ZINC000826166078 608128454 /nfs/dbraw/zinc/12/84/54/608128454.db2.gz VGMVXCQFKNUTBH-UHFFFAOYSA-N -1 1 390.429 1.153 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000824103508 608135326 /nfs/dbraw/zinc/13/53/26/608135326.db2.gz CYZWFTSCXVTASZ-SNVBAGLBSA-N -1 1 378.458 1.915 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000824103508 608135327 /nfs/dbraw/zinc/13/53/27/608135327.db2.gz CYZWFTSCXVTASZ-SNVBAGLBSA-N -1 1 378.458 1.915 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(C)CCc1cnccn1 ZINC000826233123 608166176 /nfs/dbraw/zinc/16/61/76/608166176.db2.gz URPBMPICAZZVGY-UHFFFAOYSA-N -1 1 382.428 1.008 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N(C)CCc1cnccn1 ZINC000826340569 608166827 /nfs/dbraw/zinc/16/68/27/608166827.db2.gz CVYZUWZETHKQCK-UHFFFAOYSA-N -1 1 378.396 1.664 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N(C)CCc1cnccn1 ZINC000826340569 608166828 /nfs/dbraw/zinc/16/68/28/608166828.db2.gz CVYZUWZETHKQCK-UHFFFAOYSA-N -1 1 378.396 1.664 20 0 GDADMM O=C(N[C@@H](C(=O)Nc1cn[nH]c1)c1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826426882 608203642 /nfs/dbraw/zinc/20/36/42/608203642.db2.gz YMARBWYPEZMGED-CQSZACIVSA-N -1 1 394.420 1.761 20 0 GDADMM O=C(N[C@@H](C(=O)Nc1cn[nH]c1)c1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826426882 608203644 /nfs/dbraw/zinc/20/36/44/608203644.db2.gz YMARBWYPEZMGED-CQSZACIVSA-N -1 1 394.420 1.761 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1csc(-c2ccoc2)n1 ZINC000825935252 608213392 /nfs/dbraw/zinc/21/33/92/608213392.db2.gz XMVUDXRKYXWYLD-UHFFFAOYSA-N -1 1 399.440 1.593 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1csc(-c2ccoc2)n1 ZINC000825935252 608213394 /nfs/dbraw/zinc/21/33/94/608213394.db2.gz XMVUDXRKYXWYLD-UHFFFAOYSA-N -1 1 399.440 1.593 20 0 GDADMM CC(C)(C)OC(=O)CN1CCC[C@@H]1COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000824100554 608247646 /nfs/dbraw/zinc/24/76/46/608247646.db2.gz UXPIERCEQKLOMN-LLVKDONJSA-N -1 1 393.469 1.891 20 0 GDADMM CC(C)(C)OC(=O)CN1CCC[C@@H]1COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000824100554 608247648 /nfs/dbraw/zinc/24/76/48/608247648.db2.gz UXPIERCEQKLOMN-LLVKDONJSA-N -1 1 393.469 1.891 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC1(c2ccc(F)cc2F)CCCCC1 ZINC000826424805 608251172 /nfs/dbraw/zinc/25/11/72/608251172.db2.gz DHLMARVKKLNGOC-UHFFFAOYSA-N -1 1 388.382 1.712 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCC[C@@H]2COCC[C@@H]21 ZINC000826495566 608303447 /nfs/dbraw/zinc/30/34/47/608303447.db2.gz UDMDDHDYDGAVTJ-PWSUYJOCSA-N -1 1 383.861 1.710 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCC[C@@H]2COCC[C@@H]21 ZINC000826495566 608303448 /nfs/dbraw/zinc/30/34/48/608303448.db2.gz UDMDDHDYDGAVTJ-PWSUYJOCSA-N -1 1 383.861 1.710 20 0 GDADMM CCNC(=O)N1CCN(Cc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)CC1 ZINC000825471054 608308421 /nfs/dbraw/zinc/30/84/21/608308421.db2.gz MVKSZPPMQVYCJO-UHFFFAOYSA-N -1 1 395.471 1.208 20 0 GDADMM CCc1nn(C)cc1NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000825762651 608337465 /nfs/dbraw/zinc/33/74/65/608337465.db2.gz GFNSOGXYVSVIMZ-UHFFFAOYSA-N -1 1 394.443 1.393 20 0 GDADMM CCc1nn(C)cc1NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000825762651 608337467 /nfs/dbraw/zinc/33/74/67/608337467.db2.gz GFNSOGXYVSVIMZ-UHFFFAOYSA-N -1 1 394.443 1.393 20 0 GDADMM C[C@H](Cc1ccco1)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824458216 608340434 /nfs/dbraw/zinc/34/04/34/608340434.db2.gz UGSFJADQRKZYGS-SNVBAGLBSA-N -1 1 386.416 1.097 20 0 GDADMM C[C@H](Cc1ccco1)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824458216 608340435 /nfs/dbraw/zinc/34/04/35/608340435.db2.gz UGSFJADQRKZYGS-SNVBAGLBSA-N -1 1 386.416 1.097 20 0 GDADMM Cc1ccc(CN(C)C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)cc1 ZINC000826287637 608340884 /nfs/dbraw/zinc/34/08/84/608340884.db2.gz XAGIFOCJLSUIHQ-UHFFFAOYSA-N -1 1 396.455 1.724 20 0 GDADMM Cc1ccc(CN(C)C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)cc1 ZINC000826287637 608340885 /nfs/dbraw/zinc/34/08/85/608340885.db2.gz XAGIFOCJLSUIHQ-UHFFFAOYSA-N -1 1 396.455 1.724 20 0 GDADMM CN(C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)C(C1CC1)C1CC1 ZINC000825812986 608351544 /nfs/dbraw/zinc/35/15/44/608351544.db2.gz ZKWGZBIHFNMQDI-UHFFFAOYSA-N -1 1 386.460 1.404 20 0 GDADMM CN(C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)C(C1CC1)C1CC1 ZINC000825812986 608351546 /nfs/dbraw/zinc/35/15/46/608351546.db2.gz ZKWGZBIHFNMQDI-UHFFFAOYSA-N -1 1 386.460 1.404 20 0 GDADMM C[C@@H]1CCCC[C@@H]1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824937000 608351723 /nfs/dbraw/zinc/35/17/23/608351723.db2.gz NYSVLGWZUXZNHO-VXGBXAGGSA-N -1 1 388.476 1.699 20 0 GDADMM C[C@@H]1CCCC[C@@H]1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824937000 608351724 /nfs/dbraw/zinc/35/17/24/608351724.db2.gz NYSVLGWZUXZNHO-VXGBXAGGSA-N -1 1 388.476 1.699 20 0 GDADMM C[C@H]1SCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)[C@H]1C ZINC000825020791 608353744 /nfs/dbraw/zinc/35/37/44/608353744.db2.gz LUMVYBNHRUSSEW-VHSXEESVSA-N -1 1 392.489 1.109 20 0 GDADMM C[C@H]1SCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)[C@H]1C ZINC000825020791 608353745 /nfs/dbraw/zinc/35/37/45/608353745.db2.gz LUMVYBNHRUSSEW-VHSXEESVSA-N -1 1 392.489 1.109 20 0 GDADMM CCc1c(C)nn(-c2cccc(C(=O)n3ncc(-c4nn[n-]n4)c3N)c2)c1C ZINC000825688405 608385381 /nfs/dbraw/zinc/38/53/81/608385381.db2.gz YSGDTJYTTJSUGG-UHFFFAOYSA-N -1 1 377.412 1.699 20 0 GDADMM C[C@@H](C(=O)Nc1cccc(Nc2ccc(-c3nnn[n-]3)nn2)c1)n1cccn1 ZINC000824047072 608396154 /nfs/dbraw/zinc/39/61/54/608396154.db2.gz WPNOINSOXSUQIS-NSHDSACASA-N -1 1 376.384 1.797 20 0 GDADMM C[C@@H](C(=O)Nc1cccc(Nc2ccc(-c3nn[n-]n3)nn2)c1)n1cccn1 ZINC000824047072 608396156 /nfs/dbraw/zinc/39/61/56/608396156.db2.gz WPNOINSOXSUQIS-NSHDSACASA-N -1 1 376.384 1.797 20 0 GDADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000826004428 608414103 /nfs/dbraw/zinc/41/41/03/608414103.db2.gz XKOSLBBVPXILSP-GFCCVEGCSA-N -1 1 382.432 1.018 20 0 GDADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000826004428 608414105 /nfs/dbraw/zinc/41/41/05/608414105.db2.gz XKOSLBBVPXILSP-GFCCVEGCSA-N -1 1 382.432 1.018 20 0 GDADMM Cc1oc(NC(=O)[C@@H](C)N(C)C[C@H](O)C(F)(F)F)c(-c2nn[n-]n2)c1C ZINC000826340813 608421237 /nfs/dbraw/zinc/42/12/37/608421237.db2.gz LXAAUGBDOMJJBS-APPZFPTMSA-N -1 1 376.339 1.259 20 0 GDADMM Cn1cnnc1[C@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826365273 608446176 /nfs/dbraw/zinc/44/61/76/608446176.db2.gz HMGLJRYALLGSCN-SNVBAGLBSA-N -1 1 394.848 1.174 20 0 GDADMM Cn1cnnc1[C@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826365273 608446178 /nfs/dbraw/zinc/44/61/78/608446178.db2.gz HMGLJRYALLGSCN-SNVBAGLBSA-N -1 1 394.848 1.174 20 0 GDADMM Nc1n[nH]c(CCCNC(=O)Nc2c(F)cc(Cl)cc2F)c1-c1nnn[n-]1 ZINC000826396144 608509511 /nfs/dbraw/zinc/50/95/11/608509511.db2.gz ISJWTXFDXYHJKL-UHFFFAOYSA-N -1 1 397.777 1.858 20 0 GDADMM Nc1n[nH]c(CCCNC(=O)Nc2c(F)cc(Cl)cc2F)c1-c1nn[n-]n1 ZINC000826396144 608509513 /nfs/dbraw/zinc/50/95/13/608509513.db2.gz ISJWTXFDXYHJKL-UHFFFAOYSA-N -1 1 397.777 1.858 20 0 GDADMM CC(C)(C)Oc1cccc(CS(=O)(=O)Cc2ccnc(-c3nnn[n-]3)c2)n1 ZINC000824123627 608529280 /nfs/dbraw/zinc/52/92/80/608529280.db2.gz IRIOZYIDOVAQPM-UHFFFAOYSA-N -1 1 388.453 1.949 20 0 GDADMM CC(C)(C)Oc1cccc(CS(=O)(=O)Cc2ccnc(-c3nn[n-]n3)c2)n1 ZINC000824123627 608529281 /nfs/dbraw/zinc/52/92/81/608529281.db2.gz IRIOZYIDOVAQPM-UHFFFAOYSA-N -1 1 388.453 1.949 20 0 GDADMM CN1C(=O)C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)[C@@H]1c1ccc(Cl)cc1 ZINC000826010268 608552755 /nfs/dbraw/zinc/55/27/55/608552755.db2.gz GNTJAXJYXYXBSI-HOCLYGCPSA-N -1 1 397.826 1.617 20 0 GDADMM CN1C(=O)C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H]1c1ccc(Cl)cc1 ZINC000826010268 608552757 /nfs/dbraw/zinc/55/27/57/608552757.db2.gz GNTJAXJYXYXBSI-HOCLYGCPSA-N -1 1 397.826 1.617 20 0 GDADMM C[C@H](c1ccccc1)[C@@](C)(O)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824772618 608556256 /nfs/dbraw/zinc/55/62/56/608556256.db2.gz VSVZSKMXQOAPQF-CWTRNNRKSA-N -1 1 398.471 1.118 20 0 GDADMM C[C@H](c1ccccc1)[C@@](C)(O)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824772618 608556258 /nfs/dbraw/zinc/55/62/58/608556258.db2.gz VSVZSKMXQOAPQF-CWTRNNRKSA-N -1 1 398.471 1.118 20 0 GDADMM O=Cc1cc(Cl)cc(F)c1OS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826484016 608564495 /nfs/dbraw/zinc/56/44/95/608564495.db2.gz JXUZURQECPUNFO-UHFFFAOYSA-N -1 1 383.748 1.634 20 0 GDADMM O=Cc1cc(Cl)cc(F)c1OS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826484016 608564497 /nfs/dbraw/zinc/56/44/97/608564497.db2.gz JXUZURQECPUNFO-UHFFFAOYSA-N -1 1 383.748 1.634 20 0 GDADMM CS(=O)(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)Cc2ccccc21 ZINC000826223497 608858195 /nfs/dbraw/zinc/85/81/95/608858195.db2.gz OKHAWUXXYVSOOD-UHFFFAOYSA-N -1 1 390.494 1.710 20 0 GDADMM Cc1cc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc2n[nH]cc21 ZINC000826270130 609162193 /nfs/dbraw/zinc/16/21/93/609162193.db2.gz MFJIHJBEDLPPSO-UHFFFAOYSA-N -1 1 395.431 1.453 20 0 GDADMM Cc1cc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc2n[nH]cc21 ZINC000826270130 609162195 /nfs/dbraw/zinc/16/21/95/609162195.db2.gz MFJIHJBEDLPPSO-UHFFFAOYSA-N -1 1 395.431 1.453 20 0 GDADMM COc1cc(NCc2ccc(-c3nnn[n-]3)o2)ccc1S(=O)(=O)N(C)C ZINC000826180744 609173925 /nfs/dbraw/zinc/17/39/25/609173925.db2.gz VHSYWQJIYGCDFR-UHFFFAOYSA-N -1 1 378.414 1.331 20 0 GDADMM COc1cc(NCc2ccc(-c3nn[n-]n3)o2)ccc1S(=O)(=O)N(C)C ZINC000826180744 609173927 /nfs/dbraw/zinc/17/39/27/609173927.db2.gz VHSYWQJIYGCDFR-UHFFFAOYSA-N -1 1 378.414 1.331 20 0 GDADMM Cc1noc(Cl)c1CC(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000826340377 609242992 /nfs/dbraw/zinc/24/29/92/609242992.db2.gz VWIJYASLKZVHNE-UHFFFAOYSA-N -1 1 394.775 1.751 20 0 GDADMM Cc1nn(C)c(C)c1[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)C(F)(F)F ZINC000826333165 609271323 /nfs/dbraw/zinc/27/13/23/609271323.db2.gz WTBNERQLXVVNIF-SNVBAGLBSA-N -1 1 398.353 1.376 20 0 GDADMM Cc1nn(C)c(C)c1[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)C(F)(F)F ZINC000826333165 609271325 /nfs/dbraw/zinc/27/13/25/609271325.db2.gz WTBNERQLXVVNIF-SNVBAGLBSA-N -1 1 398.353 1.376 20 0 GDADMM CN(C)c1nc(CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)ns1 ZINC000825884266 609278551 /nfs/dbraw/zinc/27/85/51/609278551.db2.gz XJFUTURSWPUPGT-UHFFFAOYSA-N -1 1 386.420 1.721 20 0 GDADMM CC(=O)N1CC[C@@](C)(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1 ZINC000823975129 609288352 /nfs/dbraw/zinc/28/83/52/609288352.db2.gz UZNCLSGBFRJUHY-GOSISDBHSA-N -1 1 398.402 1.389 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)[C@@H]1CSCCS1 ZINC000826458351 609290231 /nfs/dbraw/zinc/29/02/31/609290231.db2.gz MOARWXZWBHYMHG-NSHDSACASA-N -1 1 391.457 1.979 20 0 GDADMM Cc1c(CCC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cnn1C ZINC000826236452 609291387 /nfs/dbraw/zinc/29/13/87/609291387.db2.gz MSYLIPUFXASHRS-UHFFFAOYSA-N -1 1 395.402 1.805 20 0 GDADMM C[C@@H]1CCC[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)[C@@H]1C ZINC000824927269 609298408 /nfs/dbraw/zinc/29/84/08/609298408.db2.gz NKBMLSQJUOLBIV-UTUOFQBUSA-N -1 1 375.481 1.571 20 0 GDADMM C[C@@H]1CCC[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)[C@@H]1C ZINC000824927269 609298410 /nfs/dbraw/zinc/29/84/10/609298410.db2.gz NKBMLSQJUOLBIV-UTUOFQBUSA-N -1 1 375.481 1.571 20 0 GDADMM C[C@H](Cc1ccsc1)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824465489 609300481 /nfs/dbraw/zinc/30/04/81/609300481.db2.gz QPQJJBICPIBPEK-SNVBAGLBSA-N -1 1 389.489 1.439 20 0 GDADMM C[C@H](Cc1ccsc1)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824465489 609300483 /nfs/dbraw/zinc/30/04/83/609300483.db2.gz QPQJJBICPIBPEK-SNVBAGLBSA-N -1 1 389.489 1.439 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@H]1CCc2c1cccc2F ZINC000825930044 609300674 /nfs/dbraw/zinc/30/06/74/609300674.db2.gz OQXNSBBDAHOJGM-ZDUSSCGKSA-N -1 1 399.434 1.573 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@H]1CCc2c1cccc2F ZINC000825930044 609300676 /nfs/dbraw/zinc/30/06/76/609300676.db2.gz OQXNSBBDAHOJGM-ZDUSSCGKSA-N -1 1 399.434 1.573 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@@H]1CCc2ccccc2C1 ZINC000825929161 609302566 /nfs/dbraw/zinc/30/25/66/609302566.db2.gz BZFGKHOOBLAFHH-CQSZACIVSA-N -1 1 395.471 1.304 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@@H]1CCc2ccccc2C1 ZINC000825929161 609302567 /nfs/dbraw/zinc/30/25/67/609302567.db2.gz BZFGKHOOBLAFHH-CQSZACIVSA-N -1 1 395.471 1.304 20 0 GDADMM Cc1csc([C@@H](C)NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)n1 ZINC000826319993 609303607 /nfs/dbraw/zinc/30/36/07/609303607.db2.gz BTMOMZDBTFEPPF-SECBINFHSA-N -1 1 390.477 1.272 20 0 GDADMM Cc1csc([C@@H](C)NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)n1 ZINC000826319993 609303609 /nfs/dbraw/zinc/30/36/09/609303609.db2.gz BTMOMZDBTFEPPF-SECBINFHSA-N -1 1 390.477 1.272 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@H]1C[C@@]1(C)c1ccccc1 ZINC000825930774 609304835 /nfs/dbraw/zinc/30/48/35/609304835.db2.gz YRXCHMLFWQIEHM-LIRRHRJNSA-N -1 1 395.471 1.476 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@H]1C[C@@]1(C)c1ccccc1 ZINC000825930774 609304836 /nfs/dbraw/zinc/30/48/36/609304836.db2.gz YRXCHMLFWQIEHM-LIRRHRJNSA-N -1 1 395.471 1.476 20 0 GDADMM Cc1ccsc1CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826316397 609310560 /nfs/dbraw/zinc/31/05/60/609310560.db2.gz MVGQDAKABSZBIM-UHFFFAOYSA-N -1 1 389.489 1.359 20 0 GDADMM Cc1ccsc1CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826316397 609310561 /nfs/dbraw/zinc/31/05/61/609310561.db2.gz MVGQDAKABSZBIM-UHFFFAOYSA-N -1 1 389.489 1.359 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)[C@H]1CCCc2n[nH]cc21 ZINC000826458105 609313274 /nfs/dbraw/zinc/31/32/74/609313274.db2.gz CQBXBUOABNWYOG-JTQLQIEISA-N -1 1 393.386 1.973 20 0 GDADMM Cc1nc(N)nc(C)c1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826327264 609315460 /nfs/dbraw/zinc/31/54/60/609315460.db2.gz ZWGFVPGDEHBYKX-UHFFFAOYSA-N -1 1 394.374 1.433 20 0 GDADMM O=S(=O)([N-]c1ccncc1Br)c1ccc(-c2nn[nH]n2)cc1F ZINC000826492841 609338839 /nfs/dbraw/zinc/33/88/39/609338839.db2.gz HESSYUPIWFKHSF-UHFFFAOYSA-N -1 1 399.205 1.386 20 0 GDADMM C[C@@H]1CN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C[C@@H](C)O1 ZINC000824977804 609358074 /nfs/dbraw/zinc/35/80/74/609358074.db2.gz SGELLLLESBZMEG-GHMZBOCLSA-N -1 1 386.391 1.833 20 0 GDADMM CCC[C@@](C)(O)CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825233499 609361274 /nfs/dbraw/zinc/36/12/74/609361274.db2.gz QDYRIBYJITURKQ-QGZVFWFLSA-N -1 1 388.407 1.864 20 0 GDADMM O=C(NCc1ccncc1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826443708 609362705 /nfs/dbraw/zinc/36/27/05/609362705.db2.gz ZSESQAQXZHSAGF-UHFFFAOYSA-N -1 1 379.359 1.908 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N[C@H]1CCCC[C@H]1O ZINC000826458551 609364719 /nfs/dbraw/zinc/36/47/19/609364719.db2.gz UYSFKXCMSZIOEA-WCQYABFASA-N -1 1 386.391 1.617 20 0 GDADMM CN(CCC1CC1)C(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825914531 609368932 /nfs/dbraw/zinc/36/89/32/609368932.db2.gz ITRXEQUFACSLII-UHFFFAOYSA-N -1 1 398.402 1.389 20 0 GDADMM C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000824400409 609380488 /nfs/dbraw/zinc/38/04/88/609380488.db2.gz HIYUGASJTGYVOV-VIFPVBQESA-N -1 1 379.425 1.025 20 0 GDADMM C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000824400409 609380489 /nfs/dbraw/zinc/38/04/89/609380489.db2.gz HIYUGASJTGYVOV-VIFPVBQESA-N -1 1 379.425 1.025 20 0 GDADMM COC(=O)[C@@H](C1CC1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000826104251 609420904 /nfs/dbraw/zinc/42/09/04/609420904.db2.gz SPUNOYJRBYVWCJ-CQSZACIVSA-N -1 1 399.411 1.188 20 0 GDADMM O=c1c(I)cc(F)cn1Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826501613 609493252 /nfs/dbraw/zinc/49/32/52/609493252.db2.gz ZAUXZNDHPDRMEW-UHFFFAOYSA-N -1 1 398.139 1.215 20 0 GDADMM O=c1c(I)cc(F)cn1Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826501613 609493254 /nfs/dbraw/zinc/49/32/54/609493254.db2.gz ZAUXZNDHPDRMEW-UHFFFAOYSA-N -1 1 398.139 1.215 20 0 GDADMM C[C@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1ccccc1 ZINC000825000568 609506187 /nfs/dbraw/zinc/50/61/87/609506187.db2.gz SMQGVVBLXKGTKC-KGLIPLIRSA-N -1 1 378.440 1.498 20 0 GDADMM C[C@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1ccccc1 ZINC000825000568 609506189 /nfs/dbraw/zinc/50/61/89/609506189.db2.gz SMQGVVBLXKGTKC-KGLIPLIRSA-N -1 1 378.440 1.498 20 0 GDADMM COC[C@H]([N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl)c1ccco1 ZINC000826150953 609553725 /nfs/dbraw/zinc/55/37/25/609553725.db2.gz POIFJCVWHKOECT-NSHDSACASA-N -1 1 383.817 1.779 20 0 GDADMM COCCOCCS(=O)(=O)[N-][C@@H](C(=O)OC)c1ccc(Cl)c(F)c1 ZINC000536140296 650265360 /nfs/dbraw/zinc/26/53/60/650265360.db2.gz HKRVQQZREZOLNM-CYBMUJFWSA-N -1 1 383.825 1.276 20 0 GDADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(S(N)(=O)=O)c(F)c1 ZINC000536679142 650277245 /nfs/dbraw/zinc/27/72/45/650277245.db2.gz MWHUVMASJCPCJP-UHFFFAOYSA-N -1 1 394.427 1.342 20 0 GDADMM Cn1cnn(-c2ccc(NS(=O)(=O)c3csc(C(=O)[O-])c3)cc2)c1=O ZINC000537739476 650300900 /nfs/dbraw/zinc/30/09/00/650300900.db2.gz JYOSIYAMDLKQQT-UHFFFAOYSA-N -1 1 380.407 1.132 20 0 GDADMM Cc1nc(S[C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)[n-]c(=O)c1C ZINC000538516609 650313498 /nfs/dbraw/zinc/31/34/98/650313498.db2.gz JGOVQOJMRFWLQO-SNVBAGLBSA-N -1 1 382.467 1.566 20 0 GDADMM CO[C@@H]1CCC[C@H]1CNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000539223150 650331184 /nfs/dbraw/zinc/33/11/84/650331184.db2.gz KYFWOCBRUVCQRW-GXFFZTMASA-N -1 1 380.463 1.291 20 0 GDADMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)c1cnc2ccsc2c1 ZINC000545957845 650467650 /nfs/dbraw/zinc/46/76/50/650467650.db2.gz WMWPZDYUECEGBI-UHFFFAOYSA-N -1 1 398.491 1.475 20 0 GDADMM O=S(=O)([N-][C@H]1CCN(CC(F)(F)F)C1)c1ccc(Br)o1 ZINC000546072639 650469976 /nfs/dbraw/zinc/46/99/76/650469976.db2.gz HQASARXQUXXEFR-ZETCQYMHSA-N -1 1 377.182 1.957 20 0 GDADMM COc1ccc(Br)cc1CNC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000546123664 650471731 /nfs/dbraw/zinc/47/17/31/650471731.db2.gz VLQWXPZLCTVREW-UHFFFAOYSA-N -1 1 378.186 1.119 20 0 GDADMM O=S(=O)([N-]C[C@@H](O)COc1ccccc1)c1ccc(Br)o1 ZINC000546778297 650485955 /nfs/dbraw/zinc/48/59/55/650485955.db2.gz XDCFLFCATGIEOR-SNVBAGLBSA-N -1 1 376.228 1.760 20 0 GDADMM Cc1ccc(NC(=O)c2cc(=O)n3[n-]cnc3n2)cc1I ZINC000546785300 650486367 /nfs/dbraw/zinc/48/63/67/650486367.db2.gz QMZKDNYGKHWELT-UHFFFAOYSA-N -1 1 395.160 1.583 20 0 GDADMM CCC(CC)(NC(=O)c1ccc(I)c([O-])c1)C(N)=O ZINC000546874165 650488787 /nfs/dbraw/zinc/48/87/87/650488787.db2.gz OWIUYLQVPXWCKD-UHFFFAOYSA-N -1 1 376.194 1.771 20 0 GDADMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)C[C@H]1CCCC[C@@H]1C ZINC000547371932 650496851 /nfs/dbraw/zinc/49/68/51/650496851.db2.gz QGIBDPNATXAPKE-CMPLNLGQSA-N -1 1 375.516 1.768 20 0 GDADMM C[S@](=O)Cc1ccccc1[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000547244550 650493051 /nfs/dbraw/zinc/49/30/51/650493051.db2.gz RXHOAYMUZMBSNZ-DEOSSOPVSA-N -1 1 377.451 1.342 20 0 GDADMM O=S(=O)([N-]Cc1nc(C(F)(F)F)no1)c1ccc(Br)o1 ZINC000547304978 650494804 /nfs/dbraw/zinc/49/48/04/650494804.db2.gz OQSZXWSNIDNKHJ-UHFFFAOYSA-N -1 1 376.110 1.922 20 0 GDADMM CS(=O)(=O)NC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000551201040 650600825 /nfs/dbraw/zinc/60/08/25/650600825.db2.gz CVYBNQNEWAHUSN-SKDRFNHKSA-N -1 1 384.882 1.475 20 0 GDADMM Cc1onc(N)c1S(=O)(=O)[N-]CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000555475937 650692105 /nfs/dbraw/zinc/69/21/05/650692105.db2.gz VFHUZFMMHHTVJK-UHFFFAOYSA-N -1 1 393.874 1.361 20 0 GDADMM CCCNC(=O)CCNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000565449836 650797187 /nfs/dbraw/zinc/79/71/87/650797187.db2.gz HXQCSTXZAHSLKY-UHFFFAOYSA-N -1 1 396.296 1.304 20 0 GDADMM C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1c[nH]cn1)[C@H]1CCC[C@H](C)C1 ZINC000565726324 650810594 /nfs/dbraw/zinc/81/05/94/650810594.db2.gz RHZSNNCVUXNEOL-IHRRRGAJSA-N -1 1 392.547 1.676 20 0 GDADMM C[C@@H]1C[C@H](C)CCN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2c[nH]cn2)C1 ZINC000566485978 650848128 /nfs/dbraw/zinc/84/81/28/650848128.db2.gz ZRXCUYLUWONVKU-ZIAGYGMSSA-N -1 1 392.547 1.629 20 0 GDADMM CC1(C)C[C@@H]1CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cnc[nH]2)c1 ZINC000566487795 650850103 /nfs/dbraw/zinc/85/01/03/650850103.db2.gz KQMXAAIBCPFDCU-LLVKDONJSA-N -1 1 384.483 1.535 20 0 GDADMM O=c1oc2ccccc2n1CC[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000566650412 650861525 /nfs/dbraw/zinc/86/15/25/650861525.db2.gz UQPZZPGOZDUCHI-UHFFFAOYSA-N -1 1 387.211 1.929 20 0 GDADMM O=C([O-])[C@@H](Cc1cnc[nH]1)NS(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000566831442 650868415 /nfs/dbraw/zinc/86/84/15/650868415.db2.gz NIOXBOODLNYQAQ-SNVBAGLBSA-N -1 1 381.307 1.542 20 0 GDADMM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(-n3cncn3)nc2)c1 ZINC000026542533 644284680 /nfs/dbraw/zinc/28/46/80/644284680.db2.gz NMMWAGSCMFNURR-UHFFFAOYSA-N -1 1 379.785 1.815 20 0 GDADMM CN(Cc1ccccc1)C(=O)COC(=O)c1sccc1[N-]S(C)(=O)=O ZINC000042775608 644336779 /nfs/dbraw/zinc/33/67/79/644336779.db2.gz WVNSCMKUUUMBBT-UHFFFAOYSA-N -1 1 382.463 1.935 20 0 GDADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2nc(C)c(C)s2)o1 ZINC000046315317 644361572 /nfs/dbraw/zinc/36/15/72/644361572.db2.gz ULVZHXHWEJJXBL-QMMMGPOBSA-N -1 1 387.439 1.445 20 0 GDADMM CC(Nc1ccc([N+](=O)[O-])cc1Br)=C1C(=O)[N-]C(=S)NC1=O ZINC000054500497 644459182 /nfs/dbraw/zinc/45/91/82/644459182.db2.gz WNMYPHXJHLRJFF-UHFFFAOYSA-N -1 1 385.199 1.574 20 0 GDADMM CC(C)NC(=O)C(=O)N[N-]C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000070920092 644586561 /nfs/dbraw/zinc/58/65/61/644586561.db2.gz VHSWVEPUTSNRDU-UHFFFAOYSA-N -1 1 394.229 1.125 20 0 GDADMM C[C@H]1CC[C@H](N(C)S(=O)(=O)CCCCS(=O)(=O)[N-]c2c[nH]cn2)C1 ZINC000568253803 650945023 /nfs/dbraw/zinc/94/50/23/650945023.db2.gz KYGGTCOVCLXDRK-STQMWFEESA-N -1 1 378.520 1.382 20 0 GDADMM O=C(CCc1nc[nH]n1)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000151521753 644781646 /nfs/dbraw/zinc/78/16/46/644781646.db2.gz HMQLQTRUFPNHQW-UHFFFAOYSA-N -1 1 382.751 1.915 20 0 GDADMM Cn1cnc(S(=O)(=O)[N-][C@](C)(C(N)=O)c2cccc(Cl)c2)c1Cl ZINC000178599964 644925512 /nfs/dbraw/zinc/92/55/12/644925512.db2.gz RQXLVMAYSMMBPQ-ZDUSSCGKSA-N -1 1 377.253 1.406 20 0 GDADMM Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NN1CC(=O)[N-]C1=O ZINC000179270882 644932162 /nfs/dbraw/zinc/93/21/62/644932162.db2.gz LCEWQBWGNNLUTK-UHFFFAOYSA-N -1 1 378.186 1.140 20 0 GDADMM COc1cccc(NCC(=O)N[N-]C(=O)c2cccnc2Br)c1 ZINC000182582221 644961934 /nfs/dbraw/zinc/96/19/34/644961934.db2.gz DJJQRBQCFZBGPQ-UHFFFAOYSA-N -1 1 379.214 1.726 20 0 GDADMM CC1(CCNC(=O)c2cc(I)ccc2[O-])OCCO1 ZINC000185447468 644986174 /nfs/dbraw/zinc/98/61/74/644986174.db2.gz LPIMGJMDXNSOQB-UHFFFAOYSA-N -1 1 377.178 1.880 20 0 GDADMM 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GDADMM CC[C@@H](C[C@@H](C)O)NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000831238271 654977540 /nfs/dbraw/zinc/97/75/40/654977540.db2.gz FVTNRRBLKYAYSB-ZJUUUORDSA-N -1 1 383.297 1.937 20 0 GDADMM Cc1nc(S(=O)(=O)[N-]Cc2cn3ccccc3n2)c(Br)n1C ZINC000804939686 655004197 /nfs/dbraw/zinc/00/41/97/655004197.db2.gz SRICSYKCAZVFLS-UHFFFAOYSA-N -1 1 384.259 1.617 20 0 GDADMM Cc1nc(S(=O)(=O)[N-]CCCN2CCCCC2=O)c(Br)n1C ZINC000804987525 655007339 /nfs/dbraw/zinc/00/73/39/655007339.db2.gz DNAGZMCAIGFIEH-UHFFFAOYSA-N -1 1 393.307 1.172 20 0 GDADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1nc(C)n(C)c1Br)C(C)(C)C ZINC000805004853 655010021 /nfs/dbraw/zinc/01/00/21/655010021.db2.gz DZKABXGMKURPOP-MRVPVSSYSA-N -1 1 382.280 1.357 20 0 GDADMM Cc1nc(S(=O)(=O)[N-][C@@H](CCO)c2cccs2)c(Br)n1C ZINC000805014077 655011412 /nfs/dbraw/zinc/01/14/12/655011412.db2.gz PDJUNVLDMLCMQQ-VIFPVBQESA-N -1 1 394.316 1.955 20 0 GDADMM Cn1cc(Cl)c(C[N-]S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)n1 ZINC000832135425 655013325 /nfs/dbraw/zinc/01/33/25/655013325.db2.gz AGUMWGVQZQWYQO-UHFFFAOYSA-N -1 1 399.828 1.548 20 0 GDADMM Cc1nc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](C(C)C)C2)c(Br)n1C ZINC000805054455 655017762 /nfs/dbraw/zinc/01/77/62/655017762.db2.gz IZSCDIQZBARYLT-GHMZBOCLSA-N -1 1 380.308 1.973 20 0 GDADMM Cc1nc(S(=O)(=O)[N-]CC2([C@H](O)C(C)C)CC2)c(Br)n1C ZINC000805055544 655018063 /nfs/dbraw/zinc/01/80/63/655018063.db2.gz XIKPYQTXRWWKHB-SNVBAGLBSA-N -1 1 380.308 1.566 20 0 GDADMM Cc1nc(S(=O)(=O)[N-]CC2([C@H](C)CCO)CCC2)c(Br)n1C ZINC000805054900 655018082 /nfs/dbraw/zinc/01/80/82/655018082.db2.gz QSASDYILLZPODH-SNVBAGLBSA-N -1 1 394.335 1.958 20 0 GDADMM Cc1nc(S(=O)(=O)[N-]C(C)(C)C2CCOCC2)c(Br)n1C ZINC000805082462 655022649 /nfs/dbraw/zinc/02/26/49/655022649.db2.gz NTHNHUDGOKPXCU-UHFFFAOYSA-N -1 1 380.308 1.975 20 0 GDADMM Cc1nc(S(=O)(=O)[N-]Cc2cnn3ccccc23)c(Br)n1C ZINC000805104707 655025121 /nfs/dbraw/zinc/02/51/21/655025121.db2.gz WTYRDOIEPJEQKN-UHFFFAOYSA-N -1 1 384.259 1.617 20 0 GDADMM CC1CCN(S(=O)(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)CC1 ZINC000805127049 655027682 /nfs/dbraw/zinc/02/76/82/655027682.db2.gz UZRNLHNNXBRXRP-AVGNSLFASA-N -1 1 385.452 1.741 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CF)C(=O)OC)c(Cl)cc1Cl ZINC000805137870 655028642 /nfs/dbraw/zinc/02/86/42/655028642.db2.gz KMHNVZPFTPOUKB-VIFPVBQESA-N -1 1 388.200 1.569 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)C(=O)OC(C)C)c(F)cc1Cl ZINC000832550339 655035986 /nfs/dbraw/zinc/03/59/86/655035986.db2.gz PAQVRCHGLRYCSH-QMMMGPOBSA-N -1 1 381.809 1.884 20 0 GDADMM COC(=O)[C@H](C[N-]S(=O)(=O)c1ncn(C)c1Cl)Oc1ccc(F)cc1 ZINC000758433486 655059729 /nfs/dbraw/zinc/05/97/29/655059729.db2.gz XPPQDKHGMBKREY-NSHDSACASA-N -1 1 391.808 1.112 20 0 GDADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCn3c(cnc3C(F)(F)F)C2)o1 ZINC000834332515 655063545 /nfs/dbraw/zinc/06/35/45/655063545.db2.gz OORQEARQSCMISZ-UHFFFAOYSA-N -1 1 378.332 1.059 20 0 GDADMM Cn1[n-]cc2c(=NC(=O)NC[C@@H](O)c3cccc(Br)c3)ccnc1-2 ZINC000806487167 655067536 /nfs/dbraw/zinc/06/75/36/655067536.db2.gz RYVHZTQCMNMOQJ-CQSZACIVSA-N -1 1 390.241 1.959 20 0 GDADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCCCS(=O)(=O)C(C)C ZINC000758936083 655074064 /nfs/dbraw/zinc/07/40/64/655074064.db2.gz KBVSMBGDRSNMAK-UHFFFAOYSA-N -1 1 377.484 1.818 20 0 GDADMM Cc1nc(S(=O)(=O)[N-]c2cnn(-c3ccncc3)c2)c(Br)n1C ZINC000808087761 655097375 /nfs/dbraw/zinc/09/73/75/655097375.db2.gz VAKXPFCYULNBJT-UHFFFAOYSA-N -1 1 397.258 1.873 20 0 GDADMM CCSCCCNC(=O)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000808912729 655115513 /nfs/dbraw/zinc/11/55/13/655115513.db2.gz YWISQHKBBHYAFH-UHFFFAOYSA-N -1 1 383.436 1.163 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)c2nc(C)no2)c(Br)o1 ZINC000760555608 655117555 /nfs/dbraw/zinc/11/75/55/655117555.db2.gz HZKBJINNMFZLDM-RXMQYKEDSA-N -1 1 394.203 1.560 20 0 GDADMM Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810088888 655148939 /nfs/dbraw/zinc/14/89/39/655148939.db2.gz XDVAJQOBOSHLGT-LLVKDONJSA-N -1 1 382.408 1.116 20 0 GDADMM CC(C)n1cc(S(=O)(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cn1 ZINC000810088582 655149033 /nfs/dbraw/zinc/14/90/33/655149033.db2.gz OIAYCSBMTBAFNQ-LLVKDONJSA-N -1 1 382.408 1.543 20 0 GDADMM O=S(=O)([N-]C[C@H](CO)[C@@H]1CCOC1)c1cc(Br)cnc1Cl ZINC000795392385 655174592 /nfs/dbraw/zinc/17/45/92/655174592.db2.gz DWPDNQMCSJVQOS-RKDXNWHRSA-N -1 1 399.694 1.421 20 0 GDADMM Cn1nccc1CCNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000811062421 655184446 /nfs/dbraw/zinc/18/44/46/655184446.db2.gz XXWQHRXNENRDAP-UHFFFAOYSA-N -1 1 391.280 1.364 20 0 GDADMM CCOC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCOC2)c(F)cc1Br ZINC000795894925 655194240 /nfs/dbraw/zinc/19/42/40/655194240.db2.gz GLCOCQNOYBNKRF-QMMMGPOBSA-N -1 1 396.234 1.832 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)[N-]C[C@]2(O)CCO[C@H]2C)c(F)cc1Cl ZINC000795961323 655198302 /nfs/dbraw/zinc/19/83/02/655198302.db2.gz YULSMQNURGHIDZ-RMLUDKJBSA-N -1 1 381.809 1.084 20 0 GDADMM COC(=O)C1(CS(=O)(=O)[N-]c2ccc(S(N)(=O)=O)c(C)c2)CCCC1 ZINC000811682859 655202586 /nfs/dbraw/zinc/20/25/86/655202586.db2.gz JCZQHBYHSWJMRR-UHFFFAOYSA-N -1 1 390.483 1.118 20 0 GDADMM COC(=O)N1CCC(C[N-]S(=O)(=O)c2ccc(Br)o2)CC1 ZINC000796169877 655205353 /nfs/dbraw/zinc/20/53/53/655205353.db2.gz MPSFHPDUIDFFKT-UHFFFAOYSA-N -1 1 381.248 1.799 20 0 GDADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccnc(Br)c2)c1 ZINC000812362582 655212405 /nfs/dbraw/zinc/21/24/05/655212405.db2.gz FEPVUDWAOTUUSI-UHFFFAOYSA-N -1 1 386.227 1.710 20 0 GDADMM CCS(=O)(=O)c1cccc(CC(=O)OCCC[N-]C(=O)C(F)(F)F)c1 ZINC000764622653 655219916 /nfs/dbraw/zinc/21/99/16/655219916.db2.gz ROOFFGOXTUCGBF-UHFFFAOYSA-N -1 1 381.372 1.635 20 0 GDADMM Cc1c(C(=O)OCc2nc(=O)n(C)[n-]2)cnn1-c1ccc(Br)cc1 ZINC000765411540 655239352 /nfs/dbraw/zinc/23/93/52/655239352.db2.gz WSGLPZZMMWDTLS-UHFFFAOYSA-N -1 1 392.213 1.722 20 0 GDADMM Cn1[n-]c(COC(=O)c2cc(F)ccc2I)nc1=O ZINC000765464078 655240842 /nfs/dbraw/zinc/24/08/42/655240842.db2.gz VWOKZFHXIYVPHZ-UHFFFAOYSA-N -1 1 377.113 1.209 20 0 GDADMM Cc1nn(-c2ccc(Br)cc2)cc1C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765497256 655241697 /nfs/dbraw/zinc/24/16/97/655241697.db2.gz NHWJJDUTQJVMHK-UHFFFAOYSA-N -1 1 392.213 1.722 20 0 GDADMM NS(=O)(=O)c1ccc(F)c(C(=O)[N-]c2nnc(CC(F)(F)F)s2)c1 ZINC000798333678 655263297 /nfs/dbraw/zinc/26/32/97/655263297.db2.gz WHDQSJUJBQTYDT-UHFFFAOYSA-N -1 1 384.336 1.682 20 0 GDADMM NS(=O)(=O)c1ccc(F)c(C(=O)Nc2nc(Br)ccc2[O-])c1 ZINC000798342552 655264546 /nfs/dbraw/zinc/26/45/46/655264546.db2.gz IZLLWDWADCNUKJ-UHFFFAOYSA-N -1 1 390.190 1.589 20 0 GDADMM CCOC(=O)CCCS(=O)(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000798463919 655267385 /nfs/dbraw/zinc/26/73/85/655267385.db2.gz UNBUENALKZIEGE-UHFFFAOYSA-N -1 1 388.408 1.050 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)[N-]Cc2cccnn2)c(Br)o1 ZINC000767580948 655298372 /nfs/dbraw/zinc/29/83/72/655298372.db2.gz ZWMLUMVQMSPMRS-UHFFFAOYSA-N -1 1 376.188 1.097 20 0 GDADMM O=C(NC1(c2nn[n-]n2)CCCC1)c1cn2c(Br)cnc2s1 ZINC000815645481 655301043 /nfs/dbraw/zinc/30/10/43/655301043.db2.gz HBYVKWDVWAQUSI-UHFFFAOYSA-N -1 1 382.247 1.871 20 0 GDADMM O=C(NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc([O-])c(F)c1 ZINC000768099620 655314192 /nfs/dbraw/zinc/31/41/92/655314192.db2.gz SRSHARXFPUHODV-UHFFFAOYSA-N -1 1 384.351 1.823 20 0 GDADMM CCOC(=O)c1cc(S(=O)(=O)[N-][C@H](C)C(=O)OCC)c(F)cc1Cl ZINC000841479652 655327125 /nfs/dbraw/zinc/32/71/25/655327125.db2.gz RWPBUNQOFFMARX-MRVPVSSYSA-N -1 1 381.809 1.886 20 0 GDADMM CCOC(=O)c1cc(S(=O)(=O)[N-]C[C@]2(O)CCO[C@@H]2C)c(F)cc1Cl ZINC000841515850 655334425 /nfs/dbraw/zinc/33/44/25/655334425.db2.gz IMCFFYMJGMFICT-RFAUZJTJSA-N -1 1 395.836 1.474 20 0 GDADMM CSc1nc(C)c(CCC(=O)NCCCC2N=NC(=S)N2C)c(=O)[n-]1 ZINC000818237853 655370752 /nfs/dbraw/zinc/37/07/52/655370752.db2.gz UPNDNXKDFPOYNH-UHFFFAOYSA-N -1 1 382.515 1.311 20 0 GDADMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2csc(-c3cnccn3)n2)CCC1 ZINC000843017856 655386796 /nfs/dbraw/zinc/38/67/96/655386796.db2.gz IARDKCUHXJARCN-UHFFFAOYSA-N -1 1 381.483 1.144 20 0 GDADMM CCN(CC(=O)[N-]S(=O)(=O)CC1(N(C)C)CCC1)C(=O)OC(C)(C)C ZINC000843019004 655386951 /nfs/dbraw/zinc/38/69/51/655386951.db2.gz YCAGDRLSXHQYSS-UHFFFAOYSA-N -1 1 377.507 1.174 20 0 GDADMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2csc(-c3cnn(C)c3)n2)CCC1 ZINC000843019792 655386957 /nfs/dbraw/zinc/38/69/57/655386957.db2.gz WMGPRLUEXJGPOD-UHFFFAOYSA-N -1 1 383.499 1.088 20 0 GDADMM Cc1noc([C@H](C)NS(=O)(=O)c2sc(C(=O)[O-])cc2Br)n1 ZINC000844894227 655419070 /nfs/dbraw/zinc/41/90/70/655419070.db2.gz GLYNIYHUPAQJNP-BYPYZUCNSA-N -1 1 396.244 1.940 20 0 GDADMM O=S(=O)(N=S1(=O)CCCC1)[N-]c1cccc(-c2nnnn2C2CC2)c1 ZINC000821135184 655423147 /nfs/dbraw/zinc/42/31/47/655423147.db2.gz MMRPMZJKQANNHY-UHFFFAOYSA-N -1 1 382.471 1.594 20 0 GDADMM COc1ccc(S(=O)(=O)N(C)C(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821846582 655435975 /nfs/dbraw/zinc/43/59/75/655435975.db2.gz UYJGHCPQZXYCEF-UHFFFAOYSA-N -1 1 379.423 1.398 20 0 GDADMM COc1ccc(S(=O)(=O)N(C)C(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821846582 655435977 /nfs/dbraw/zinc/43/59/77/655435977.db2.gz UYJGHCPQZXYCEF-UHFFFAOYSA-N -1 1 379.423 1.398 20 0 GDADMM O=S1(=O)CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC12CCCCC2 ZINC000823612565 655465781 /nfs/dbraw/zinc/46/57/81/655465781.db2.gz BFTNTMQRQOIVBF-UHFFFAOYSA-N -1 1 382.877 1.853 20 0 GDADMM O=S1(=O)CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC12CCCCC2 ZINC000823612565 655465782 /nfs/dbraw/zinc/46/57/82/655465782.db2.gz BFTNTMQRQOIVBF-UHFFFAOYSA-N -1 1 382.877 1.853 20 0 GDADMM O=S(=O)(N[C@H]1COc2ccccc21)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826489757 655498223 /nfs/dbraw/zinc/49/82/23/655498223.db2.gz YTDBSLZNCPZUEF-NSHDSACASA-N -1 1 377.813 1.932 20 0 GDADMM O=S(=O)(N[C@H]1COc2ccccc21)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826489757 655498226 /nfs/dbraw/zinc/49/82/26/655498226.db2.gz YTDBSLZNCPZUEF-NSHDSACASA-N -1 1 377.813 1.932 20 0 GDADMM O=S(=O)([N-]c1cccnc1F)c1ccc(S(=O)(=O)NCC2CC2)cc1 ZINC000848942990 655503451 /nfs/dbraw/zinc/50/34/51/655503451.db2.gz HGSIPGCJGGDHIZ-UHFFFAOYSA-N -1 1 385.442 1.710 20 0 GDADMM C[C@@H]1C[C@@H](C)N(S(=O)(=O)CCCS(=O)(=O)[N-]c2cccc(F)n2)C1 ZINC000848958996 655507080 /nfs/dbraw/zinc/50/70/80/655507080.db2.gz RGALPWDTWVMIPE-VXGBXAGGSA-N -1 1 379.479 1.413 20 0 GDADMM Cc1c([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](F)C2)n[nH]c1C1CC1 ZINC000848960064 655507612 /nfs/dbraw/zinc/50/76/12/655507612.db2.gz YSIHTKUZNWVECD-GFCCVEGCSA-N -1 1 394.494 1.101 20 0 GDADMM C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(Cl)n1)C1CC1 ZINC000848964197 655511578 /nfs/dbraw/zinc/51/15/78/655511578.db2.gz LIPBEOQDGGTZMS-JTQLQIEISA-N -1 1 381.907 1.585 20 0 GDADMM CC1CC(NS(=O)(=O)CCCCS(=O)(=O)[N-]c2cccc(F)n2)C1 ZINC000848968535 655515161 /nfs/dbraw/zinc/51/51/61/655515161.db2.gz WXZNEQIKFRHSOT-UHFFFAOYSA-N -1 1 379.479 1.461 20 0 GDADMM COC(=O)[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000828011319 655518296 /nfs/dbraw/zinc/51/82/96/655518296.db2.gz CFTIHSBFUPHDFM-SECBINFHSA-N -1 1 396.307 1.747 20 0 GDADMM Cc1nc(S(=O)(=O)[N-][C@@H]2C[C@@H](O)c3ccccc32)c(Br)n1C ZINC000849456535 655539262 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GDADMM O=C([N-][C@H](CO)c1cccc(Cl)c1Cl)C(F)(F)C(=O)N1CCOCC1 ZINC000853863242 655652375 /nfs/dbraw/zinc/65/23/75/655652375.db2.gz WZVKGCBNFYSPPV-LLVKDONJSA-N -1 1 397.205 1.637 20 0 GDADMM COc1cc(C(=O)NCCS(=O)(=O)CC(F)(F)F)cc(Cl)c1[O-] ZINC000855574450 655696616 /nfs/dbraw/zinc/69/66/16/655696616.db2.gz SCPPPTICNQANLE-UHFFFAOYSA-N -1 1 375.752 1.761 20 0 GDADMM COC(=O)N(C)CCN(C)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000855891621 655703770 /nfs/dbraw/zinc/70/37/70/655703770.db2.gz QJYIGABEPJZENQ-UHFFFAOYSA-N -1 1 375.447 1.127 20 0 GDADMM O=C(NOCCN1CCCC1=O)c1ccc(I)c([O-])c1 ZINC000856042459 655707241 /nfs/dbraw/zinc/70/72/41/655707241.db2.gz FUWSYNAXOSUCMX-UHFFFAOYSA-N -1 1 390.177 1.281 20 0 GDADMM COC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)nc1F ZINC000859174775 655767541 /nfs/dbraw/zinc/76/75/41/655767541.db2.gz GIVIRROZIYWRJX-SFYZADRCSA-N -1 1 381.223 1.603 20 0 GDADMM O=S(=O)([N-][C@H](CO)[C@@H]1CCCOC1)c1ccc(Br)nc1F ZINC000859188744 655768455 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CCn1cnnc1CCNC(=O)c1ccc(I)cc1[O-] ZINC000865576952 655922162 /nfs/dbraw/zinc/92/21/62/655922162.db2.gz BGGPFJXWSZGNQR-UHFFFAOYSA-N -1 1 386.193 1.581 20 0 GDADMM O=C(c1nc(Br)sc1Cl)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000865596443 655922707 /nfs/dbraw/zinc/92/27/07/655922707.db2.gz ZYLBYNUUVJPJAL-SCSAIBSYSA-N -1 1 379.627 1.286 20 0 GDADMM COC(=O)[C@H](C)CN(C)C(=O)c1ccc(I)cc1[O-] ZINC000865801544 655927420 /nfs/dbraw/zinc/92/74/20/655927420.db2.gz BGWWUDACBMDJDC-MRVPVSSYSA-N -1 1 377.178 1.878 20 0 GDADMM CCS(=O)(CC)=NS(=O)(=O)[N-][C@H](c1nccn1C)c1ccccc1F ZINC000866435998 655943139 /nfs/dbraw/zinc/94/31/39/655943139.db2.gz IOGKFWMYRGXKFK-AWEZNQCLSA-N -1 1 388.490 1.991 20 0 GDADMM O=S(=O)(N=S1(=O)CCCC1)[N-]Cc1ccc(OCC(F)(F)F)nc1 ZINC000866493055 655947105 /nfs/dbraw/zinc/94/71/05/655947105.db2.gz VTBWMDUXLMICCH-UHFFFAOYSA-N -1 1 387.405 1.619 20 0 GDADMM C[C@H](CN1CCCC1=O)[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1F ZINC000866557797 655949611 /nfs/dbraw/zinc/94/96/11/655949611.db2.gz 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C[C@H](c1ccccc1)[C@H](CO)[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000866846787 655969801 /nfs/dbraw/zinc/96/98/01/655969801.db2.gz HHKDHGGPXMVSFP-PWSUYJOCSA-N -1 1 377.388 1.882 20 0 GDADMM CCS(=O)(=O)N1CCC(C[N-]S(=O)(=O)c2ccc(Cl)nc2F)CC1 ZINC000867103349 655995131 /nfs/dbraw/zinc/99/51/31/655995131.db2.gz VPFGQIRYMAJJMB-UHFFFAOYSA-N -1 1 399.897 1.214 20 0 GDADMM CCOC(=O)N1CCC([C@@H](C)[N-]S(=O)(=O)c2ccc(F)nc2F)CC1 ZINC000867131897 656000282 /nfs/dbraw/zinc/00/02/82/656000282.db2.gz ZNBZZFHBZZWJNK-SNVBAGLBSA-N -1 1 377.413 1.895 20 0 GDADMM Cn1ncc(S(=O)(=O)[N-][C@@H]2CCc3cc(O)ccc3C2)c1C(F)(F)F ZINC000867195652 656010765 /nfs/dbraw/zinc/01/07/65/656010765.db2.gz JUPHPMRHHUILQN-LLVKDONJSA-N -1 1 375.372 1.980 20 0 GDADMM Cn1ncc(S(=O)(=O)[N-][C@H]2CCc3cc(O)ccc3C2)c1C(F)(F)F ZINC000867195654 656010849 /nfs/dbraw/zinc/01/08/49/656010849.db2.gz JUPHPMRHHUILQN-NSHDSACASA-N -1 1 375.372 1.980 20 0 GDADMM CC(=O)N1CCC[C@H](C[N-]S(=O)(=O)N=[S@@](C)(=O)c2ccccc2F)C1 ZINC000867214781 656015116 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GDADMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(F)nc1F)[C@H]1CCC[C@@H](OC)C1 ZINC000867466494 656066613 /nfs/dbraw/zinc/06/66/13/656066613.db2.gz UKLMQZLFTOJTFV-OPQQBVKSSA-N -1 1 378.397 1.385 20 0 GDADMM CN(CC1(O)CCOCC1)C(=O)c1ccc(I)cc1[O-] ZINC000867648649 656098859 /nfs/dbraw/zinc/09/88/59/656098859.db2.gz GGHNGDYSCKJLMX-UHFFFAOYSA-N -1 1 391.205 1.610 20 0 GDADMM Cn1ncc(S(=O)(=O)[N-]Cc2cccc3c2CCOC3)c1C(F)(F)F ZINC000867656320 656099760 /nfs/dbraw/zinc/09/97/60/656099760.db2.gz AUPZTAUGVYIXHZ-UHFFFAOYSA-N -1 1 375.372 1.990 20 0 GDADMM CCOC(=O)[C@@]1(C[N-]S(=O)(=O)c2ccc(Cl)nc2F)CCCOC1 ZINC000867664593 656100555 /nfs/dbraw/zinc/10/05/55/656100555.db2.gz AMUKYGJTYIOJEV-CQSZACIVSA-N -1 1 380.825 1.512 20 0 GDADMM O=C([N-]CC1CN(S(=O)(=O)CCc2cccc(Cl)c2)C1)C(F)(F)F ZINC000867902302 656132708 /nfs/dbraw/zinc/13/27/08/656132708.db2.gz FJYRQZBTINCHQX-UHFFFAOYSA-N -1 1 384.807 1.823 20 0 GDADMM O=C(Nc1cn[nH]c1)[C@@H]1CCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000868692663 656165404 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O=C([O-])[C@H](NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)C1CCOCC1 ZINC000908776226 939319928 /nfs/dbraw/zinc/31/99/28/939319928.db2.gz OYMOELHDTDQMJM-GOSISDBHSA-N -1 1 393.459 1.969 20 0 GDADMM C[C@@H]1CN(Cc2ccc(CNC(=O)N[C@H](C(=O)[O-])C3CC3)cc2)C[C@@H](C)O1 ZINC000908779227 939320023 /nfs/dbraw/zinc/32/00/23/939320023.db2.gz GVFXZBCBMITPNL-LBTNJELSSA-N -1 1 375.469 1.958 20 0 GDADMM O=C([O-])C1(NC(=O)CCN2CCN(c3ccccn3)CC2)CCSCC1 ZINC000909347654 939397606 /nfs/dbraw/zinc/39/76/06/939397606.db2.gz FIIZJWBUMMVCPX-UHFFFAOYSA-N -1 1 378.498 1.060 20 0 GDADMM CN1CCN(c2cc(C(=O)N[C@@H](C(=O)[O-])c3ccc4c(c3)CCO4)ccn2)CC1 ZINC000909791580 939729009 /nfs/dbraw/zinc/72/90/09/939729009.db2.gz FWKLXZLJQLEHLW-LJQANCHMSA-N -1 1 396.447 1.324 20 0 GDADMM CCO[C@@H]1C[C@](NC(=O)N[C@@H]2CCCN3CCSC[C@@H]23)(C(=O)[O-])C1(C)C ZINC000929066606 939809682 /nfs/dbraw/zinc/80/96/82/939809682.db2.gz YZDFBOUNMWJICW-NPSOMJIGSA-N -1 1 385.530 1.524 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCCCN2C(=O)c2cc(F)c[nH]2)n1 ZINC001571258640 945360405 /nfs/dbraw/zinc/36/04/05/945360405.db2.gz XZTVIOKJSPQCCR-LBPRGKRZSA-N -1 1 385.407 1.539 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCCCN2C(=O)c2cc(F)c[nH]2)n1 ZINC001571258640 945360415 /nfs/dbraw/zinc/36/04/15/945360415.db2.gz XZTVIOKJSPQCCR-LBPRGKRZSA-N -1 1 385.407 1.539 20 0 GDADMM O=C([O-])[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc3cncn3c2)C1=O ZINC001611334133 970996737 /nfs/dbraw/zinc/99/67/37/970996737.db2.gz NLBQOIGUSOCCMW-SJORKVTESA-N -1 1 378.388 1.491 20 0 GDADMM CCc1nc(N[C@H]2C[C@H](CNC(=O)c3cncs3)C2)cc(-c2nnn[n-]2)n1 ZINC001571261604 945428955 /nfs/dbraw/zinc/42/89/55/945428955.db2.gz HDDLIGWKPVKHAT-MGCOHNPYSA-N -1 1 385.457 1.296 20 0 GDADMM CCc1nc(N[C@H]2C[C@H](CNC(=O)c3cncs3)C2)cc(-c2nn[n-]n2)n1 ZINC001571261604 945428961 /nfs/dbraw/zinc/42/89/61/945428961.db2.gz HDDLIGWKPVKHAT-MGCOHNPYSA-N -1 1 385.457 1.296 20 0 GDADMM C[C@H](NC(=O)c1cncs1)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571262017 945433591 /nfs/dbraw/zinc/43/35/91/945433591.db2.gz MDXNPYMAJZEHIS-WDEREUQCSA-N -1 1 385.457 1.148 20 0 GDADMM C[C@H](NC(=O)c1cncs1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571262017 945433594 /nfs/dbraw/zinc/43/35/94/945433594.db2.gz MDXNPYMAJZEHIS-WDEREUQCSA-N -1 1 385.457 1.148 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)c3cc(C)sn3)C2)cc(-c2nnn[n-]2)n1 ZINC001571262313 945435059 /nfs/dbraw/zinc/43/50/59/945435059.db2.gz ONMMBWWRXQWQQP-SNVBAGLBSA-N -1 1 385.457 1.311 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)c3cc(C)sn3)C2)cc(-c2nn[n-]n2)n1 ZINC001571262313 945435066 /nfs/dbraw/zinc/43/50/66/945435066.db2.gz ONMMBWWRXQWQQP-SNVBAGLBSA-N -1 1 385.457 1.311 20 0 GDADMM Cc1ccoc1C(=O)N1C[C@@H]2CN(c3snc(C)c3-c3nn[n-]n3)C[C@@H]2C1 ZINC001571262781 945442171 /nfs/dbraw/zinc/44/21/71/945442171.db2.gz XRXNNMXSLIQMPZ-TXEJJXNPSA-N -1 1 385.453 1.741 20 0 GDADMM CCc1ncsc1C(=O)N1C[C@H](C)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571262747 945442598 /nfs/dbraw/zinc/44/25/98/945442598.db2.gz WUJVJVATJQKWRN-JOYOIKCWSA-N -1 1 385.457 1.248 20 0 GDADMM CCc1ncsc1C(=O)N1C[C@H](C)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571262747 945442604 /nfs/dbraw/zinc/44/26/04/945442604.db2.gz WUJVJVATJQKWRN-JOYOIKCWSA-N -1 1 385.457 1.248 20 0 GDADMM Cc1nc(CC(=O)N2CCC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)cs1 ZINC001571262842 945443995 /nfs/dbraw/zinc/44/39/95/945443995.db2.gz ACLPAEGQIOVVRM-NSHDSACASA-N -1 1 385.457 1.067 20 0 GDADMM Cc1nc(CC(=O)N2CCC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)cs1 ZINC001571262842 945443998 /nfs/dbraw/zinc/44/39/98/945443998.db2.gz ACLPAEGQIOVVRM-NSHDSACASA-N -1 1 385.457 1.067 20 0 GDADMM Cc1ncsc1C(=O)NC1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571263450 945459169 /nfs/dbraw/zinc/45/91/69/945459169.db2.gz QMBLWILZKGFYAT-UHFFFAOYSA-N -1 1 385.457 1.211 20 0 GDADMM Cc1nsc(NC2(C)CCN(C(=O)c3ccncn3)CC2)c1-c1nn[n-]n1 ZINC001571263757 945465836 /nfs/dbraw/zinc/46/58/36/945465836.db2.gz XYTZKLLMWFUWHA-UHFFFAOYSA-N -1 1 385.457 1.528 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](NC(=O)c3ccncc3Cl)C2)n1 ZINC001571265331 945506252 /nfs/dbraw/zinc/50/62/52/945506252.db2.gz HKEXJRBXPDQFSV-SNVBAGLBSA-N -1 1 385.819 1.022 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)c3ccncc3Cl)C2)n1 ZINC001571265331 945506258 /nfs/dbraw/zinc/50/62/58/945506258.db2.gz HKEXJRBXPDQFSV-SNVBAGLBSA-N -1 1 385.819 1.022 20 0 GDADMM CC(C)(C)C(=O)N1CCO[C@H](CNc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571265355 945506687 /nfs/dbraw/zinc/50/66/87/945506687.db2.gz IAFAFBZVCTXYLZ-MRVPVSSYSA-N -1 1 385.881 1.662 20 0 GDADMM CO[C@@H](C)C(=O)N1C[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C(C)(C)C1 ZINC001571265479 945512179 /nfs/dbraw/zinc/51/21/79/945512179.db2.gz KWIWWKAETQSCEY-JGVFFNPUSA-N -1 1 385.881 1.660 20 0 GDADMM O=C(c1ccc(Cl)cn1)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571266312 945536849 /nfs/dbraw/zinc/53/68/49/945536849.db2.gz YZOWILGMGKHLJC-UHFFFAOYSA-N -1 1 385.819 1.422 20 0 GDADMM O=C(c1ccc(Cl)cn1)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571266312 945536857 /nfs/dbraw/zinc/53/68/57/945536857.db2.gz YZOWILGMGKHLJC-UHFFFAOYSA-N -1 1 385.819 1.422 20 0 GDADMM O=C(c1cc(F)ccc1F)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571266884 945556812 /nfs/dbraw/zinc/55/68/12/945556812.db2.gz BECGZEXRJHXPFM-UHFFFAOYSA-N -1 1 386.366 1.287 20 0 GDADMM O=C(c1cc(F)ccc1F)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571266884 945556823 /nfs/dbraw/zinc/55/68/23/945556823.db2.gz BECGZEXRJHXPFM-UHFFFAOYSA-N -1 1 386.366 1.287 20 0 GDADMM O=C(c1ccc(F)cc1F)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571267031 945559482 /nfs/dbraw/zinc/55/94/82/945559482.db2.gz GXEDSBBLTZFUSP-NSHDSACASA-N -1 1 386.366 1.652 20 0 GDADMM O=C(c1ccc(F)cc1F)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571267031 945559492 /nfs/dbraw/zinc/55/94/92/945559492.db2.gz GXEDSBBLTZFUSP-NSHDSACASA-N -1 1 386.366 1.652 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cccc(F)c1F ZINC001571267422 945568525 /nfs/dbraw/zinc/56/85/25/945568525.db2.gz UWXDVJMNQIWYKU-CABZTGNLSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cccc(F)c1F ZINC001571267422 945568531 /nfs/dbraw/zinc/56/85/31/945568531.db2.gz UWXDVJMNQIWYKU-CABZTGNLSA-N -1 1 386.366 1.650 20 0 GDADMM CC[C@@H]1C[C@H]1CNS(=O)(=O)c1cccc(Br)c1-c1nnn[n-]1 ZINC001571267467 945571723 /nfs/dbraw/zinc/57/17/23/945571723.db2.gz VXWMQZSWAUPNPZ-BDAKNGLRSA-N -1 1 386.275 1.954 20 0 GDADMM CC[C@@H]1C[C@H]1CNS(=O)(=O)c1cccc(Br)c1-c1nn[n-]n1 ZINC001571267467 945571729 /nfs/dbraw/zinc/57/17/29/945571729.db2.gz VXWMQZSWAUPNPZ-BDAKNGLRSA-N -1 1 386.275 1.954 20 0 GDADMM C[C@H](Nc1cc(-c2nnn[n-]2)nc(C2CC2)n1)c1ccc(S(N)(=O)=O)cc1 ZINC001571269663 945623464 /nfs/dbraw/zinc/62/34/64/945623464.db2.gz BVLBGOXFOCSPCK-VIFPVBQESA-N -1 1 386.441 1.355 20 0 GDADMM C[C@H](Nc1cc(-c2nn[n-]n2)nc(C2CC2)n1)c1ccc(S(N)(=O)=O)cc1 ZINC001571269663 945623470 /nfs/dbraw/zinc/62/34/70/945623470.db2.gz BVLBGOXFOCSPCK-VIFPVBQESA-N -1 1 386.441 1.355 20 0 GDADMM COc1csc(C(=O)N2C[C@H](C)[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571269898 945627987 /nfs/dbraw/zinc/62/79/87/945627987.db2.gz HFCSVITXMAQSTC-JOYOIKCWSA-N -1 1 386.441 1.299 20 0 GDADMM COc1csc(C(=O)N2C[C@H](C)[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571269898 945627990 /nfs/dbraw/zinc/62/79/90/945627990.db2.gz HFCSVITXMAQSTC-JOYOIKCWSA-N -1 1 386.441 1.299 20 0 GDADMM Cc1nsc(NC2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)c1-c1nn[n-]n1 ZINC001571270229 945632716 /nfs/dbraw/zinc/63/27/16/945632716.db2.gz NXDJARVISBFCIO-UHFFFAOYSA-N -1 1 386.441 1.449 20 0 GDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CN(C(=O)c2ccsc2)CCO1 ZINC001571270221 945632840 /nfs/dbraw/zinc/63/28/40/945632840.db2.gz NUIHTUNXASQDTQ-MFKMUULPSA-N -1 1 386.441 1.060 20 0 GDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CN(C(=O)c2ccsc2)CCO1 ZINC001571270221 945632846 /nfs/dbraw/zinc/63/28/46/945632846.db2.gz NUIHTUNXASQDTQ-MFKMUULPSA-N -1 1 386.441 1.060 20 0 GDADMM Cc1nsc(N2CCC[C@H]2CNC(=O)c2ncccc2[O-])c1-c1nn[nH]n1 ZINC001571270346 945635406 /nfs/dbraw/zinc/63/54/06/945635406.db2.gz QWHVZNTYAMLJAE-JTQLQIEISA-N -1 1 386.441 1.131 20 0 GDADMM COc1csc(C(=O)N2CC[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)c1 ZINC001571270659 945640603 /nfs/dbraw/zinc/64/06/03/945640603.db2.gz YEJZHNYJACTFHB-JTQLQIEISA-N -1 1 386.441 1.362 20 0 GDADMM COc1csc(C(=O)N2CC[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)c1 ZINC001571270659 945640609 /nfs/dbraw/zinc/64/06/09/945640609.db2.gz YEJZHNYJACTFHB-JTQLQIEISA-N -1 1 386.441 1.362 20 0 GDADMM O=C(CNC(=O)Nc1cccc(Cl)c1)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001571271886 945652320 /nfs/dbraw/zinc/65/23/20/945652320.db2.gz LVBANNOIGLJEBB-UHFFFAOYSA-N -1 1 386.803 1.353 20 0 GDADMM O=C(CNC(=O)Nc1cccc(Cl)c1)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001571271886 945652329 /nfs/dbraw/zinc/65/23/29/945652329.db2.gz LVBANNOIGLJEBB-UHFFFAOYSA-N -1 1 386.803 1.353 20 0 GDADMM O=C(C[C@@H]1CCCOC1)N1CCCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571272194 945656353 /nfs/dbraw/zinc/65/63/53/945656353.db2.gz AUYBZARPWJMRDA-UONOGXRCSA-N -1 1 386.460 1.266 20 0 GDADMM O=C(C[C@@H]1CCCOC1)N1CCCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571272194 945656361 /nfs/dbraw/zinc/65/63/61/945656361.db2.gz AUYBZARPWJMRDA-UONOGXRCSA-N -1 1 386.460 1.266 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCN(C(=O)C[C@H]3CCCCO3)C2)n1 ZINC001571272230 945658641 /nfs/dbraw/zinc/65/86/41/945658641.db2.gz BMNXZDICPHMRAT-ZIAGYGMSSA-N -1 1 386.460 1.327 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCN(C(=O)C[C@H]3CCCCO3)C2)n1 ZINC001571272230 945658645 /nfs/dbraw/zinc/65/86/45/945658645.db2.gz BMNXZDICPHMRAT-ZIAGYGMSSA-N -1 1 386.460 1.327 20 0 GDADMM COC1CC(C(=O)N2CCC([C@H](C)Nc3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001571272419 945662410 /nfs/dbraw/zinc/66/24/10/945662410.db2.gz DKEYXDZPGFZLKM-XGNXJENSSA-N -1 1 386.460 1.121 20 0 GDADMM COC1CC(C(=O)N2CCC([C@H](C)Nc3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001571272419 945662415 /nfs/dbraw/zinc/66/24/15/945662415.db2.gz DKEYXDZPGFZLKM-XGNXJENSSA-N -1 1 386.460 1.121 20 0 GDADMM Cc1cc[nH]c1C(=O)NCC1CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001571272693 945669742 /nfs/dbraw/zinc/66/97/42/945669742.db2.gz YHDLMAIQQVDTIY-UHFFFAOYSA-N -1 1 386.485 1.915 20 0 GDADMM CCOC(=O)[C@H](CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)Cc1ccccc1 ZINC000821321469 945670612 /nfs/dbraw/zinc/67/06/12/945670612.db2.gz XURXTNSCWKRWGC-ZDUSSCGKSA-N -1 1 398.427 1.144 20 0 GDADMM CCOC(=O)[C@H](CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)Cc1ccccc1 ZINC000821321469 945670614 /nfs/dbraw/zinc/67/06/14/945670614.db2.gz XURXTNSCWKRWGC-ZDUSSCGKSA-N -1 1 398.427 1.144 20 0 GDADMM COC(=O)c1cc(NC(=O)c2ccsc2-c2nnn[n-]2)cc(C(=O)OC)c1 ZINC001571274917 945701428 /nfs/dbraw/zinc/70/14/28/945701428.db2.gz MPESLRZPQKAYMP-UHFFFAOYSA-N -1 1 387.377 1.754 20 0 GDADMM COC(=O)c1cc(NC(=O)c2ccsc2-c2nn[n-]n2)cc(C(=O)OC)c1 ZINC001571274917 945701433 /nfs/dbraw/zinc/70/14/33/945701433.db2.gz MPESLRZPQKAYMP-UHFFFAOYSA-N -1 1 387.377 1.754 20 0 GDADMM Cc1nsc(N[C@H]2CCN(C(=O)C3(C(F)(F)F)CC3)C2)c1-c1nn[n-]n1 ZINC001571275132 945703123 /nfs/dbraw/zinc/70/31/23/945703123.db2.gz PYDCRPNSQUITCF-QMMMGPOBSA-N -1 1 387.391 1.987 20 0 GDADMM COC(=O)Cc1cccc(C(=O)NCc2cc(F)c(-c3nnn[n-]3)c(F)c2)c1 ZINC001571275632 945712092 /nfs/dbraw/zinc/71/20/92/945712092.db2.gz ZTMIYEZEAHWPLU-UHFFFAOYSA-N -1 1 387.346 1.790 20 0 GDADMM COC(=O)Cc1cccc(C(=O)NCc2cc(F)c(-c3nn[n-]n3)c(F)c2)c1 ZINC001571275632 945712100 /nfs/dbraw/zinc/71/21/00/945712100.db2.gz ZTMIYEZEAHWPLU-UHFFFAOYSA-N -1 1 387.346 1.790 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)C1CCOCC1 ZINC001571275755 945713415 /nfs/dbraw/zinc/71/34/15/945713415.db2.gz BWIIZFOEOCXWCB-ZDUSSCGKSA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)C1CCOCC1 ZINC001571275755 945713418 /nfs/dbraw/zinc/71/34/18/945713418.db2.gz BWIIZFOEOCXWCB-ZDUSSCGKSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H]1COCC[C@H]1C(=O)N[C@H]1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571279369 945775922 /nfs/dbraw/zinc/77/59/22/945775922.db2.gz VUOXIRXVDZKOGR-XDQVBPFNSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@H]1COCC[C@H]1C(=O)N[C@H]1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571279369 945775927 /nfs/dbraw/zinc/77/59/27/945775927.db2.gz VUOXIRXVDZKOGR-XDQVBPFNSA-N -1 1 386.460 1.169 20 0 GDADMM Cc1nsc(NC[C@@H]2CC[C@H](NC(=O)Cc3cc[nH]n3)C2)c1-c1nn[n-]n1 ZINC001571281917 945821169 /nfs/dbraw/zinc/82/11/69/945821169.db2.gz PSXLLSOWYQJDPG-MNOVXSKESA-N -1 1 387.473 1.294 20 0 GDADMM Cc1nsc(N[C@H]2CCCN(C(=O)[C@H](C)n3cccn3)C2)c1-c1nn[n-]n1 ZINC001571282416 945843531 /nfs/dbraw/zinc/84/35/31/945843531.db2.gz XSEBBIMHVVXWDE-RYUDHWBXSA-N -1 1 387.473 1.492 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(Cl)[nH]2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571284224 945896553 /nfs/dbraw/zinc/89/65/53/945896553.db2.gz NJRVRMHSVRTXPQ-NXEZZACHSA-N -1 1 387.835 1.458 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(Cl)[nH]2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571284224 945896562 /nfs/dbraw/zinc/89/65/62/945896562.db2.gz NJRVRMHSVRTXPQ-NXEZZACHSA-N -1 1 387.835 1.458 20 0 GDADMM O=C1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)Cc2ccccc2N1 ZINC001571285570 945920500 /nfs/dbraw/zinc/92/05/00/945920500.db2.gz ILHKXROKCZNUHN-UHFFFAOYSA-N -1 1 388.384 1.149 20 0 GDADMM O=C1CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)Cc2ccccc2N1 ZINC001571285570 945920508 /nfs/dbraw/zinc/92/05/08/945920508.db2.gz ILHKXROKCZNUHN-UHFFFAOYSA-N -1 1 388.384 1.149 20 0 GDADMM CCN(C(=O)c1ccc(F)s1)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571286420 945946896 /nfs/dbraw/zinc/94/68/96/945946896.db2.gz HJBWFZBWGUDSJU-SNVBAGLBSA-N -1 1 388.432 1.598 20 0 GDADMM CCN(C(=O)c1ccc(F)s1)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571286420 945946905 /nfs/dbraw/zinc/94/69/05/945946905.db2.gz HJBWFZBWGUDSJU-SNVBAGLBSA-N -1 1 388.432 1.598 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(F)s2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571286855 945960028 /nfs/dbraw/zinc/96/00/28/945960028.db2.gz TZWTVBZZZZDCOW-ZJUUUORDSA-N -1 1 388.432 1.678 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(F)s2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571286855 945960038 /nfs/dbraw/zinc/96/00/38/945960038.db2.gz TZWTVBZZZZDCOW-ZJUUUORDSA-N -1 1 388.432 1.678 20 0 GDADMM Cc1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)ccc1N1CCNC1=O ZINC000822184202 945975202 /nfs/dbraw/zinc/97/52/02/945975202.db2.gz OYCMKLOPIYSZSI-UHFFFAOYSA-N -1 1 379.380 1.457 20 0 GDADMM Cc1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)ccc1N1CCNC1=O ZINC000822184202 945975212 /nfs/dbraw/zinc/97/52/12/945975212.db2.gz OYCMKLOPIYSZSI-UHFFFAOYSA-N -1 1 379.380 1.457 20 0 GDADMM O=C(N[C@H]1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1sccc1F ZINC001571288967 945994865 /nfs/dbraw/zinc/99/48/65/945994865.db2.gz VOCLTNHVPRVCCA-UWVGGRQHSA-N -1 1 388.432 1.432 20 0 GDADMM CCCc1nc(C(=O)N[C@@H]2CCN(c3snc(C)c3-c3nn[n-]n3)C2)co1 ZINC001571289378 946003286 /nfs/dbraw/zinc/00/32/86/946003286.db2.gz BBTDUYTVEXMMFN-SNVBAGLBSA-N -1 1 388.457 1.581 20 0 GDADMM CC[C@H](OC)C(=O)N1CCC(CN(C)c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001571289511 946008430 /nfs/dbraw/zinc/00/84/30/946008430.db2.gz GIJQXRRWYCUNKM-HNNXBMFYSA-N -1 1 388.476 1.065 20 0 GDADMM CC[C@H](OC)C(=O)N1CCC(CN(C)c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001571289511 946008443 /nfs/dbraw/zinc/00/84/43/946008443.db2.gz GIJQXRRWYCUNKM-HNNXBMFYSA-N -1 1 388.476 1.065 20 0 GDADMM Cc1ncc(CC(=O)N2CCC[C@H](Nc3snc(C)c3-c3nn[n-]n3)C2)o1 ZINC001571289736 946017217 /nfs/dbraw/zinc/01/72/17/946017217.db2.gz LJIBAJVAANEWQS-NSHDSACASA-N -1 1 388.457 1.574 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H](NC(=O)C3(F)CCCC3)C2)n1 ZINC001571289856 946020582 /nfs/dbraw/zinc/02/05/82/946020582.db2.gz OCRDPVDFPLMPPS-GFCCVEGCSA-N -1 1 388.451 1.586 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H](NC(=O)C3(F)CCCC3)C2)n1 ZINC001571289856 946020591 /nfs/dbraw/zinc/02/05/91/946020591.db2.gz OCRDPVDFPLMPPS-GFCCVEGCSA-N -1 1 388.451 1.586 20 0 GDADMM CC[C@H](SC)C(=O)N1C[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001571290435 946042473 /nfs/dbraw/zinc/04/24/73/946042473.db2.gz DXUKPMJFLKMHEP-DYEKYZERSA-N -1 1 388.501 1.083 20 0 GDADMM CC[C@H](SC)C(=O)N1C[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571290435 946042486 /nfs/dbraw/zinc/04/24/86/946042486.db2.gz DXUKPMJFLKMHEP-DYEKYZERSA-N -1 1 388.501 1.083 20 0 GDADMM O=C(N[C@@H]1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1ccc(Cl)o1 ZINC001571290486 946044469 /nfs/dbraw/zinc/04/44/69/946044469.db2.gz GMSPHUDPEQHIKE-NXEZZACHSA-N -1 1 388.819 1.336 20 0 GDADMM CC[C@H](SC)C(=O)N1CC[C@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001571290554 946046901 /nfs/dbraw/zinc/04/69/01/946046901.db2.gz ITFHSKUHQWILMN-SJCJKPOMSA-N -1 1 388.501 1.227 20 0 GDADMM CC[C@H](SC)C(=O)N1CC[C@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001571290554 946046914 /nfs/dbraw/zinc/04/69/14/946046914.db2.gz ITFHSKUHQWILMN-SJCJKPOMSA-N -1 1 388.501 1.227 20 0 GDADMM COc1ccc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)cc1Br ZINC001571291058 946065392 /nfs/dbraw/zinc/06/53/92/946065392.db2.gz ZXFWTXJQWCHCJJ-UHFFFAOYSA-N -1 1 389.213 1.963 20 0 GDADMM COc1ccc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)cc1Br ZINC001571291058 946065405 /nfs/dbraw/zinc/06/54/05/946065405.db2.gz ZXFWTXJQWCHCJJ-UHFFFAOYSA-N -1 1 389.213 1.963 20 0 GDADMM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccc(F)c(Cl)c1 ZINC001571291040 946066205 /nfs/dbraw/zinc/06/62/05/946066205.db2.gz YTCWRSKDQKEFJU-JTQLQIEISA-N -1 1 388.794 1.458 20 0 GDADMM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccc(F)c(Cl)c1 ZINC001571291040 946066217 /nfs/dbraw/zinc/06/62/17/946066217.db2.gz YTCWRSKDQKEFJU-JTQLQIEISA-N -1 1 388.794 1.458 20 0 GDADMM Cc1cccc2c1C[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)CO2 ZINC001571292003 946086671 /nfs/dbraw/zinc/08/66/71/946086671.db2.gz SMZZEONHRRLWKS-GFCCVEGCSA-N -1 1 389.412 1.596 20 0 GDADMM Cc1nc(C)c(-c2nn[n-]n2)c(S[C@H]2CCN(C3CCOCC3)C2=O)n1 ZINC000822428105 946087978 /nfs/dbraw/zinc/08/79/78/946087978.db2.gz ZNHPAZNDQRNWIH-LBPRGKRZSA-N -1 1 375.458 1.146 20 0 GDADMM O=C(NC[C@]12CCC[C@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2)[C@@H]1CC1(F)F ZINC001571294927 946148483 /nfs/dbraw/zinc/14/84/83/946148483.db2.gz PYUJYFLFBAWVDH-KANYHAFZSA-N -1 1 390.398 1.177 20 0 GDADMM O=C(NC[C@]12CCC[C@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2)[C@@H]1CC1(F)F ZINC001571294927 946148489 /nfs/dbraw/zinc/14/84/89/946148489.db2.gz PYUJYFLFBAWVDH-KANYHAFZSA-N -1 1 390.398 1.177 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H]3C[C@H]2CN3C(=O)C2CC(F)(F)C2)n1 ZINC001571295138 946155392 /nfs/dbraw/zinc/15/53/92/946155392.db2.gz UTTWBQBSGVKGMZ-QWRGUYRKSA-N -1 1 390.398 1.054 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H]3C[C@H]2CN3C(=O)C2CC(F)(F)C2)n1 ZINC001571295138 946155395 /nfs/dbraw/zinc/15/53/95/946155395.db2.gz UTTWBQBSGVKGMZ-QWRGUYRKSA-N -1 1 390.398 1.054 20 0 GDADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCN(C(=O)c2cc(Cl)no2)C1 ZINC001571295265 946159732 /nfs/dbraw/zinc/15/97/32/946159732.db2.gz RJXGPPRFNLCBKU-VIFPVBQESA-N -1 1 389.807 1.039 20 0 GDADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCN(C(=O)c2cc(Cl)no2)C1 ZINC001571295265 946159736 /nfs/dbraw/zinc/15/97/36/946159736.db2.gz RJXGPPRFNLCBKU-VIFPVBQESA-N -1 1 389.807 1.039 20 0 GDADMM CCC(O)(CC)C(C)(C)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC001571297919 946201651 /nfs/dbraw/zinc/20/16/51/946201651.db2.gz DFLRJBVGEUBEJH-UHFFFAOYSA-N -1 1 390.488 1.963 20 0 GDADMM COc1nnc(NC(=O)c2cc(C3CC3)nc(SC)c2-c2nn[n-]n2)s1 ZINC001571297999 946203801 /nfs/dbraw/zinc/20/38/01/946203801.db2.gz GPJDWQOLONHWRP-UHFFFAOYSA-N -1 1 390.454 1.973 20 0 GDADMM O=C(N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1(c2ccccc2)CC1 ZINC001571298281 946211527 /nfs/dbraw/zinc/21/15/27/946211527.db2.gz MHEBPSGJHUJDAT-HNNXBMFYSA-N -1 1 390.451 1.474 20 0 GDADMM O=C(N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1(c2ccccc2)CC1 ZINC001571298281 946211538 /nfs/dbraw/zinc/21/15/38/946211538.db2.gz MHEBPSGJHUJDAT-HNNXBMFYSA-N -1 1 390.451 1.474 20 0 GDADMM Cc1ccncc1C(=O)N[C@@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571298866 946231994 /nfs/dbraw/zinc/23/19/94/946231994.db2.gz FTXQQRPRYMPZID-SECBINFHSA-N -1 1 390.860 1.689 20 0 GDADMM Cc1ccncc1C(=O)N[C@@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571298866 946232005 /nfs/dbraw/zinc/23/20/05/946232005.db2.gz FTXQQRPRYMPZID-SECBINFHSA-N -1 1 390.860 1.689 20 0 GDADMM O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822964249 946235314 /nfs/dbraw/zinc/23/53/14/946235314.db2.gz GRXXUSZSURQEIW-TXEJJXNPSA-N -1 1 384.396 1.076 20 0 GDADMM CCCc1ccccc1C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1 ZINC001571298967 946236420 /nfs/dbraw/zinc/23/64/20/946236420.db2.gz MPZFNHDOAZIKBO-GJZGRUSLSA-N -1 1 390.451 1.713 20 0 GDADMM CCCc1ccccc1C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1 ZINC001571298967 946236428 /nfs/dbraw/zinc/23/64/28/946236428.db2.gz MPZFNHDOAZIKBO-GJZGRUSLSA-N -1 1 390.451 1.713 20 0 GDADMM CN(C(=O)[C@H]1C[C@@H]1c1ccccc1)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571299131 946240794 /nfs/dbraw/zinc/24/07/94/946240794.db2.gz OEPTVVOTHKOSQL-OAGGEKHMSA-N -1 1 390.451 1.498 20 0 GDADMM CN(C(=O)[C@H]1C[C@@H]1c1ccccc1)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571299131 946240803 /nfs/dbraw/zinc/24/08/03/946240803.db2.gz OEPTVVOTHKOSQL-OAGGEKHMSA-N -1 1 390.451 1.498 20 0 GDADMM Cc1ccc(C)c(CC(=O)N[C@@H]2[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]32)c1 ZINC001571299436 946250240 /nfs/dbraw/zinc/25/02/40/946250240.db2.gz RGPKUGUGYSSBPX-HWWDLCQESA-N -1 1 390.451 1.067 20 0 GDADMM O=C(NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C1Cc2ccccc2C1 ZINC001571299659 946255670 /nfs/dbraw/zinc/25/56/70/946255670.db2.gz YVMLOUIJOITXDW-UHFFFAOYSA-N -1 1 390.451 1.157 20 0 GDADMM O=C(NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C1Cc2ccccc2C1 ZINC001571299659 946255679 /nfs/dbraw/zinc/25/56/79/946255679.db2.gz YVMLOUIJOITXDW-UHFFFAOYSA-N -1 1 390.451 1.157 20 0 GDADMM Cc1c[nH]cc1C(=O)N1C[C@@H]2C[C@H]1CN2c1snc(Cl)c1-c1nnn[n-]1 ZINC001571299628 946257398 /nfs/dbraw/zinc/25/73/98/946257398.db2.gz NTUMZEHUIFYRJT-IUCAKERBSA-N -1 1 390.860 1.716 20 0 GDADMM Cc1c[nH]cc1C(=O)N1C[C@@H]2C[C@H]1CN2c1snc(Cl)c1-c1nn[n-]n1 ZINC001571299628 946257405 /nfs/dbraw/zinc/25/74/05/946257405.db2.gz NTUMZEHUIFYRJT-IUCAKERBSA-N -1 1 390.860 1.716 20 0 GDADMM Cc1ccccc1C(=O)N[C@@]12CCC[C@@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001571300026 946270219 /nfs/dbraw/zinc/27/02/19/946270219.db2.gz YFSMGJYNKIFMKA-OXJNMPFZSA-N -1 1 390.451 1.897 20 0 GDADMM Cc1ccccc1C(=O)N[C@@]12CCC[C@@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001571300026 946270225 /nfs/dbraw/zinc/27/02/25/946270225.db2.gz YFSMGJYNKIFMKA-OXJNMPFZSA-N -1 1 390.451 1.897 20 0 GDADMM Cc1ccccc1C(=O)N[C@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001571300116 946273062 /nfs/dbraw/zinc/27/30/62/946273062.db2.gz ZNRJECGXNIVCTL-HNNXBMFYSA-N -1 1 390.451 1.754 20 0 GDADMM CC(C)C[C@H](CNC(=O)c1coc(-c2nnn[n-]2)c1)CC(=O)O[C@@H]1CCOC1 ZINC001571302121 946291642 /nfs/dbraw/zinc/29/16/42/946291642.db2.gz PBPSDFGCDUVHAV-GXTWGEPZSA-N -1 1 391.428 1.574 20 0 GDADMM CC(C)C[C@H](CNC(=O)c1coc(-c2nn[n-]n2)c1)CC(=O)O[C@@H]1CCOC1 ZINC001571302121 946291651 /nfs/dbraw/zinc/29/16/51/946291651.db2.gz PBPSDFGCDUVHAV-GXTWGEPZSA-N -1 1 391.428 1.574 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cccnc2)C3)n1 ZINC001571302953 946322222 /nfs/dbraw/zinc/32/22/22/946322222.db2.gz FMABLUGYNPLYOZ-IPYPFGDCSA-N -1 1 391.439 1.154 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cccnc2)C3)n1 ZINC001571302953 946322233 /nfs/dbraw/zinc/32/22/33/946322233.db2.gz FMABLUGYNPLYOZ-IPYPFGDCSA-N -1 1 391.439 1.154 20 0 GDADMM O=C(c1cccnc1C1CC1)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571303281 946332171 /nfs/dbraw/zinc/33/21/71/946332171.db2.gz NJDMVXYRSSUQHJ-ZDUSSCGKSA-N -1 1 391.439 1.646 20 0 GDADMM O=C(c1cccnc1C1CC1)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571303281 946332182 /nfs/dbraw/zinc/33/21/82/946332182.db2.gz NJDMVXYRSSUQHJ-ZDUSSCGKSA-N -1 1 391.439 1.646 20 0 GDADMM Cc1cncc(C(=O)N[C@@H]2CC23CCN(c2cncc(-c4nnn[n-]4)n2)CC3)c1 ZINC001571303410 946333755 /nfs/dbraw/zinc/33/37/55/946333755.db2.gz QHFVAQVNIUHGBZ-OAHLLOKOSA-N -1 1 391.439 1.149 20 0 GDADMM Cc1cncc(C(=O)N[C@@H]2CC23CCN(c2cncc(-c4nn[n-]n4)n2)CC3)c1 ZINC001571303410 946333767 /nfs/dbraw/zinc/33/37/67/946333767.db2.gz QHFVAQVNIUHGBZ-OAHLLOKOSA-N -1 1 391.439 1.149 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccc(C2CC2)cn1 ZINC001571303827 946350153 /nfs/dbraw/zinc/35/01/53/946350153.db2.gz YSZORZVEOPRMEV-CQSZACIVSA-N -1 1 391.439 1.328 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccc(C2CC2)cn1 ZINC001571303827 946350161 /nfs/dbraw/zinc/35/01/61/946350161.db2.gz YSZORZVEOPRMEV-CQSZACIVSA-N -1 1 391.439 1.328 20 0 GDADMM Cc1nsc(N2CCC(CNC(=O)[C@H]3CCCCO3)CC2)c1-c1nn[n-]n1 ZINC001571305442 946364128 /nfs/dbraw/zinc/36/41/28/946364128.db2.gz BGLQRBOYLKFNGC-CYBMUJFWSA-N -1 1 391.501 1.533 20 0 GDADMM CO[C@H](C)C(=O)N1CCC[C@@]2(CCN(c3snc(C)c3-c3nn[n-]n3)C2)C1 ZINC001571305436 946364491 /nfs/dbraw/zinc/36/44/91/946364491.db2.gz BCOMQDIPAOYIKV-SJKOYZFVSA-N -1 1 391.501 1.485 20 0 GDADMM O=C(NC[C@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1)c1cccnn1 ZINC001571305644 946370088 /nfs/dbraw/zinc/37/00/88/946370088.db2.gz IHOSIJMKTIGLFE-MRVPVSSYSA-N -1 1 391.848 1.023 20 0 GDADMM Cc1nnsc1C(=O)N(C)C1CC(Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571305981 946381225 /nfs/dbraw/zinc/38/12/25/946381225.db2.gz NIXCQJRDXZOPJD-UHFFFAOYSA-N -1 1 391.486 1.507 20 0 GDADMM O=C(Cc1ccccc1)N1CCC[C@@H](C(=O)Nc2ncc(-c3nnn[n-]3)s2)C1 ZINC000823379980 946419997 /nfs/dbraw/zinc/41/99/97/946419997.db2.gz NCVWMVBCBHQEGP-CYBMUJFWSA-N -1 1 397.464 1.743 20 0 GDADMM O=C(Cc1ccccc1)N1CCC[C@@H](C(=O)Nc2ncc(-c3nn[n-]n3)s2)C1 ZINC000823379980 946420004 /nfs/dbraw/zinc/42/00/04/946420004.db2.gz NCVWMVBCBHQEGP-CYBMUJFWSA-N -1 1 397.464 1.743 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCN(C(=O)C3(C(C)(F)F)CC3)CC2)n1 ZINC001571308071 946429427 /nfs/dbraw/zinc/42/94/27/946429427.db2.gz LGDQMHXTXAVEIF-UHFFFAOYSA-N -1 1 392.414 1.439 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCN(C(=O)C3(C(C)(F)F)CC3)CC2)n1 ZINC001571308071 946429434 /nfs/dbraw/zinc/42/94/34/946429434.db2.gz LGDQMHXTXAVEIF-UHFFFAOYSA-N -1 1 392.414 1.439 20 0 GDADMM C[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)CN1C(=O)C1CCC(F)(F)CC1 ZINC001571308021 946429672 /nfs/dbraw/zinc/42/96/72/946429672.db2.gz KAGOKNBHKWZLMR-JQWIXIFHSA-N -1 1 392.414 1.884 20 0 GDADMM C[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)CN1C(=O)C1CCC(F)(F)CC1 ZINC001571308021 946429678 /nfs/dbraw/zinc/42/96/78/946429678.db2.gz KAGOKNBHKWZLMR-JQWIXIFHSA-N -1 1 392.414 1.884 20 0 GDADMM CC1(C)C[C@@H]1C(=O)NC[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCC1(F)F ZINC001571308742 946435192 /nfs/dbraw/zinc/43/51/92/946435192.db2.gz SPSZKWLJLLAFMT-WDEREUQCSA-N -1 1 392.414 1.281 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC2CC(N(C)C(=O)C3(C)CC(F)(F)C3)C2)n1 ZINC001571308904 946436918 /nfs/dbraw/zinc/43/69/18/946436918.db2.gz VBTNPHCKLNSXNC-UHFFFAOYSA-N -1 1 392.414 1.802 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC2CC(N(C)C(=O)C3(C)CC(F)(F)C3)C2)n1 ZINC001571308904 946436923 /nfs/dbraw/zinc/43/69/23/946436923.db2.gz VBTNPHCKLNSXNC-UHFFFAOYSA-N -1 1 392.414 1.802 20 0 GDADMM O=C([C@@H]1CC12CCC2)N1C[C@@H]2C[C@H]1CN2c1snc(Cl)c1-c1nnn[n-]1 ZINC001571308865 946437139 /nfs/dbraw/zinc/43/71/39/946437139.db2.gz TYVRBYCNUDNFNJ-GUBZILKMSA-N -1 1 391.888 1.956 20 0 GDADMM O=C([C@@H]1CC12CCC2)N1C[C@@H]2C[C@H]1CN2c1snc(Cl)c1-c1nn[n-]n1 ZINC001571308865 946437143 /nfs/dbraw/zinc/43/71/43/946437143.db2.gz TYVRBYCNUDNFNJ-GUBZILKMSA-N -1 1 391.888 1.956 20 0 GDADMM CCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)[C@H]2CCC2(F)F)CC1 ZINC001571308887 946437820 /nfs/dbraw/zinc/43/78/20/946437820.db2.gz UJVLKTSDHXKENS-LLVKDONJSA-N -1 1 392.414 1.885 20 0 GDADMM CCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)[C@H]2CCC2(F)F)CC1 ZINC001571308887 946437829 /nfs/dbraw/zinc/43/78/29/946437829.db2.gz UJVLKTSDHXKENS-LLVKDONJSA-N -1 1 392.414 1.885 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC2CCN(C(=O)C3(C)CC(F)(F)C3)CC2)n1 ZINC001571308772 946437914 /nfs/dbraw/zinc/43/79/14/946437914.db2.gz SSNUPCNAMUJYDN-UHFFFAOYSA-N -1 1 392.414 1.803 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC2CCN(C(=O)C3(C)CC(F)(F)C3)CC2)n1 ZINC001571308772 946437918 /nfs/dbraw/zinc/43/79/18/946437918.db2.gz SSNUPCNAMUJYDN-UHFFFAOYSA-N -1 1 392.414 1.803 20 0 GDADMM O=C(CC1CC(F)(F)C1)N1CCC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571309564 946448818 /nfs/dbraw/zinc/44/88/18/946448818.db2.gz DICWJCXLIUGNSY-LLVKDONJSA-N -1 1 392.414 1.165 20 0 GDADMM O=C(NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCCC(F)(F)C1 ZINC001571310174 946464615 /nfs/dbraw/zinc/46/46/15/946464615.db2.gz XRGOAEGENGCTEP-NEPJUHHUSA-N -1 1 392.414 1.567 20 0 GDADMM CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1ccsc1-c1nnn[n-]1 ZINC001571310353 946467899 /nfs/dbraw/zinc/46/78/99/946467899.db2.gz CMUHXSXASUMZIK-UHFFFAOYSA-N -1 1 392.466 1.109 20 0 GDADMM CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1ccsc1-c1nn[n-]n1 ZINC001571310353 946467901 /nfs/dbraw/zinc/46/79/01/946467901.db2.gz CMUHXSXASUMZIK-UHFFFAOYSA-N -1 1 392.466 1.109 20 0 GDADMM CC(C)Cc1ccccc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571311200 946485613 /nfs/dbraw/zinc/48/56/13/946485613.db2.gz SVGJUUSPECZIRB-HNNXBMFYSA-N -1 1 392.467 1.604 20 0 GDADMM C[C@@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)CN1C(=O)c1cnc(C2CC2)nc1 ZINC001571312874 946504806 /nfs/dbraw/zinc/50/48/06/946504806.db2.gz LNYMGUYMXNZQHJ-ZWNOBZJWSA-N -1 1 392.427 1.039 20 0 GDADMM C[C@@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)CN1C(=O)c1cnc(C2CC2)nc1 ZINC001571312874 946504819 /nfs/dbraw/zinc/50/48/19/946504819.db2.gz LNYMGUYMXNZQHJ-ZWNOBZJWSA-N -1 1 392.427 1.039 20 0 GDADMM CCc1ccccc1CC(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571312991 946508509 /nfs/dbraw/zinc/50/85/09/946508509.db2.gz HAVDZJGWFKTQNV-CXAGYDPISA-N -1 1 392.467 1.721 20 0 GDADMM CCc1ccccc1CC(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571312991 946508517 /nfs/dbraw/zinc/50/85/17/946508517.db2.gz HAVDZJGWFKTQNV-CXAGYDPISA-N -1 1 392.467 1.721 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](NC(=O)c3cccc(C)c3C)C2)n1 ZINC001571313702 946530935 /nfs/dbraw/zinc/53/09/35/946530935.db2.gz UFAVOSGGDWUBMQ-CQSZACIVSA-N -1 1 392.467 1.845 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](NC(=O)c3cccc(C)c3C)C2)n1 ZINC001571313702 946530942 /nfs/dbraw/zinc/53/09/42/946530942.db2.gz UFAVOSGGDWUBMQ-CQSZACIVSA-N -1 1 392.467 1.845 20 0 GDADMM O=C(c1cc2c(o1)CCCC2)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1 ZINC001571313936 946536879 /nfs/dbraw/zinc/53/68/79/946536879.db2.gz XSJPSBGVVLMCIT-STQMWFEESA-N -1 1 392.423 1.232 20 0 GDADMM O=C(c1cc2c(o1)CCCC2)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1 ZINC001571313936 946536888 /nfs/dbraw/zinc/53/68/88/946536888.db2.gz XSJPSBGVVLMCIT-STQMWFEESA-N -1 1 392.423 1.232 20 0 GDADMM Cc1ccc(C)c(CC(=O)N(C)[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571316047 946563237 /nfs/dbraw/zinc/56/32/37/946563237.db2.gz SJHCJVRWUWQEDE-MRXNPFEDSA-N -1 1 392.467 1.553 20 0 GDADMM Cc1ccc(C)c(CC(=O)N(C)[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571316047 946563246 /nfs/dbraw/zinc/56/32/46/946563246.db2.gz SJHCJVRWUWQEDE-MRXNPFEDSA-N -1 1 392.467 1.553 20 0 GDADMM Cc1cc(C)cc(CC(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@@H]2C)c1 ZINC001571316022 946564636 /nfs/dbraw/zinc/56/46/36/946564636.db2.gz SAKZKCXUUMKQHC-GOEBONIOSA-N -1 1 392.467 1.339 20 0 GDADMM Cc1csc(C(=O)[O-])c1S(=O)(=O)Nc1ccccc1NS(C)(=O)=O ZINC000325811392 971244918 /nfs/dbraw/zinc/24/49/18/971244918.db2.gz HLWNOZLDTPUORP-UHFFFAOYSA-N -1 1 390.464 1.927 20 0 GDADMM Cc1ccccc1CCC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001571316534 946579141 /nfs/dbraw/zinc/57/91/41/946579141.db2.gz FVKUFTXULVEFAP-GOEBONIOSA-N -1 1 392.467 1.421 20 0 GDADMM Cc1ccccc1CCC(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@H]1C ZINC001571316536 946579998 /nfs/dbraw/zinc/57/99/98/946579998.db2.gz FVKUFTXULVEFAP-ZBFHGGJFSA-N -1 1 392.467 1.421 20 0 GDADMM NC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001571317302 946607252 /nfs/dbraw/zinc/60/72/52/946607252.db2.gz BPUAGMCJBUDIEJ-QMMMGPOBSA-N -1 1 392.832 1.195 20 0 GDADMM CC(=O)Nc1ccc(CCNC(=O)NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC001573547792 946840644 /nfs/dbraw/zinc/84/06/44/946840644.db2.gz UZWHXWFUYBCDTP-UHFFFAOYSA-N -1 1 385.453 1.929 20 0 GDADMM CC(=O)Oc1cccc(OS(=O)(=O)Cc2csc(-c3nn[n-]n3)c2)c1 ZINC001573550551 946865500 /nfs/dbraw/zinc/86/55/00/946865500.db2.gz BELDHKUDPWUNGQ-UHFFFAOYSA-N -1 1 380.407 1.762 20 0 GDADMM CC(=O)Oc1ccc(CC(=O)Cn2c3c(cc(-c4nn[n-]n4)c2=O)CCC3)cc1 ZINC001573552363 946875413 /nfs/dbraw/zinc/87/54/13/946875413.db2.gz NWZOGIQMNDQJLM-UHFFFAOYSA-N -1 1 393.403 1.254 20 0 GDADMM CC(=O)c1cccc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC001573555123 946905453 /nfs/dbraw/zinc/90/54/53/946905453.db2.gz BPUFFKIHBDEDTE-UHFFFAOYSA-N -1 1 375.385 1.687 20 0 GDADMM CC(=O)c1cccc(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC001573555123 946905459 /nfs/dbraw/zinc/90/54/59/946905459.db2.gz BPUFFKIHBDEDTE-UHFFFAOYSA-N -1 1 375.385 1.687 20 0 GDADMM CCN(CC(=O)Nc1ccccc1OC)C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825394356 947171274 /nfs/dbraw/zinc/17/12/74/947171274.db2.gz AABBSZXWBPZPIF-UHFFFAOYSA-N -1 1 399.411 1.201 20 0 GDADMM CCN(CC(=O)Nc1ccccc1OC)C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825394356 947171278 /nfs/dbraw/zinc/17/12/78/947171278.db2.gz AABBSZXWBPZPIF-UHFFFAOYSA-N -1 1 399.411 1.201 20 0 GDADMM CCOC(=O)c1cnn(Cc2ccn(-c3ccc(F)cc3)n2)c1-c1nn[n-]n1 ZINC000825570234 947229227 /nfs/dbraw/zinc/22/92/27/947229227.db2.gz GLXGOGTXEOTMLT-UHFFFAOYSA-N -1 1 382.359 1.613 20 0 GDADMM CCOC(=O)c1cnn(Cc2csc(-c3ccccn3)n2)c1-c1nn[n-]n1 ZINC000825571306 947235888 /nfs/dbraw/zinc/23/58/88/947235888.db2.gz XMYVRSBUNYIZIK-UHFFFAOYSA-N -1 1 382.409 1.807 20 0 GDADMM CCOCCOCc1cccc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)c1 ZINC000825599351 947249860 /nfs/dbraw/zinc/24/98/60/947249860.db2.gz KYZPCKMQVAQTCY-UHFFFAOYSA-N -1 1 386.412 1.897 20 0 GDADMM CCOCCOCc1cccc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)c1 ZINC000825599351 947249871 /nfs/dbraw/zinc/24/98/71/947249871.db2.gz KYZPCKMQVAQTCY-UHFFFAOYSA-N -1 1 386.412 1.897 20 0 GDADMM CCS(=O)(=O)Nc1ccc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)cc1 ZINC000825669249 947283760 /nfs/dbraw/zinc/28/37/60/947283760.db2.gz SWQDEUDWJGLKBX-UHFFFAOYSA-N -1 1 391.413 1.106 20 0 GDADMM CCS(=O)(=O)Nc1ccc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)cc1 ZINC000825669249 947283769 /nfs/dbraw/zinc/28/37/69/947283769.db2.gz SWQDEUDWJGLKBX-UHFFFAOYSA-N -1 1 391.413 1.106 20 0 GDADMM C=C/C(C)=C/CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C ZINC001573317210 947294672 /nfs/dbraw/zinc/29/46/72/947294672.db2.gz MQVUVKNPOBEJTF-BLXFFLACSA-N -1 1 382.472 1.900 20 0 GDADMM C=C/C(C)=C/CC(=O)NC[C@@]1(C)CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573318241 947306405 /nfs/dbraw/zinc/30/64/05/947306405.db2.gz RRBYWCUWWJESEQ-HOWNQORCSA-N -1 1 382.472 1.902 20 0 GDADMM C=C/C(C)=C/CC(=O)NC[C@@]1(C)CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573318241 947306420 /nfs/dbraw/zinc/30/64/20/947306420.db2.gz RRBYWCUWWJESEQ-HOWNQORCSA-N -1 1 382.472 1.902 20 0 GDADMM C[C@H](C(=O)N(C)C1CCN(c2nccnc2-c2nnn[n-]2)CC1)c1ccco1 ZINC001573592291 947331470 /nfs/dbraw/zinc/33/14/70/947331470.db2.gz ITCJQYWJQQTYSY-LBPRGKRZSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@H](C(=O)N(C)C1CCN(c2nccnc2-c2nn[n-]n2)CC1)c1ccco1 ZINC001573592291 947331482 /nfs/dbraw/zinc/33/14/82/947331482.db2.gz ITCJQYWJQQTYSY-LBPRGKRZSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@@H](C(=O)N(C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)n1cccc1 ZINC001573592297 947334445 /nfs/dbraw/zinc/33/44/45/947334445.db2.gz IVHPKWHZDBHPME-ZDUSSCGKSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H](C(=O)N(C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)n1cccc1 ZINC001573592297 947334454 /nfs/dbraw/zinc/33/44/54/947334454.db2.gz IVHPKWHZDBHPME-ZDUSSCGKSA-N -1 1 381.444 1.147 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000825935006 947378636 /nfs/dbraw/zinc/37/86/36/947378636.db2.gz SBEHVNIEBUXGKE-UHFFFAOYSA-N -1 1 391.439 1.872 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000825935006 947378648 /nfs/dbraw/zinc/37/86/48/947378648.db2.gz SBEHVNIEBUXGKE-UHFFFAOYSA-N -1 1 391.439 1.872 20 0 GDADMM C[C@@H](C(=O)N(C)C1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccsc1 ZINC001573594190 947388364 /nfs/dbraw/zinc/38/83/64/947388364.db2.gz OLAOFXSGRZBWRK-QFWMXSHPSA-N -1 1 384.469 1.923 20 0 GDADMM C[C@@H](C(=O)N(C)C1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccsc1 ZINC001573594190 947388375 /nfs/dbraw/zinc/38/83/75/947388375.db2.gz OLAOFXSGRZBWRK-QFWMXSHPSA-N -1 1 384.469 1.923 20 0 GDADMM C[C@@H](C(=O)N(C)CCCN(C)c1ccnc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001573597415 947436732 /nfs/dbraw/zinc/43/67/32/947436732.db2.gz OFPPSVXTWCFCAP-CYBMUJFWSA-N -1 1 381.444 1.140 20 0 GDADMM CC(C)N(CCN(C)c1ccnc(-c2nn[n-]n2)n1)C(=O)[C@H](C)c1ccco1 ZINC001573603911 947499874 /nfs/dbraw/zinc/49/98/74/947499874.db2.gz LNWDWEBMBHSKOY-CYBMUJFWSA-N -1 1 384.444 1.727 20 0 GDADMM C[C@H](C(=O)N(C)CCNc1nc(-c2nn[n-]n2)c(Cl)s1)n1cccn1 ZINC001573605345 947529404 /nfs/dbraw/zinc/52/94/04/947529404.db2.gz WMLCDMIAQUEQEJ-MRVPVSSYSA-N -1 1 381.853 1.305 20 0 GDADMM C[C@@H](C(=O)N1CC[C@](C)(CNc2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001573614772 947590461 /nfs/dbraw/zinc/59/04/61/947590461.db2.gz GZBODWKHQIEPJF-KZULUSFZSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@@H](C(=O)N1CC[C@](C)(CNc2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001573614772 947590471 /nfs/dbraw/zinc/59/04/71/947590471.db2.gz GZBODWKHQIEPJF-KZULUSFZSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)c1cccnc1 ZINC001573617320 947634538 /nfs/dbraw/zinc/63/45/38/947634538.db2.gz OTUHPKFHMBHAFM-CHWSQXEVSA-N -1 1 379.428 1.116 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)c1cccnc1 ZINC001573617320 947634545 /nfs/dbraw/zinc/63/45/45/947634545.db2.gz OTUHPKFHMBHAFM-CHWSQXEVSA-N -1 1 379.428 1.116 20 0 GDADMM C=Cc1ccc(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)cc1 ZINC001573356637 947652997 /nfs/dbraw/zinc/65/29/97/947652997.db2.gz ZJRITZVAVPNLLT-UHFFFAOYSA-N -1 1 376.424 1.699 20 0 GDADMM C=Cc1ccc(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)cc1 ZINC001573356637 947653002 /nfs/dbraw/zinc/65/30/02/947653002.db2.gz ZJRITZVAVPNLLT-UHFFFAOYSA-N -1 1 376.424 1.699 20 0 GDADMM C=Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001573358187 947660047 /nfs/dbraw/zinc/66/00/47/947660047.db2.gz CBFMXYCFRLQGSU-VYDXJSESSA-N -1 1 388.435 1.839 20 0 GDADMM C=Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001573358187 947660051 /nfs/dbraw/zinc/66/00/51/947660051.db2.gz CBFMXYCFRLQGSU-VYDXJSESSA-N -1 1 388.435 1.839 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CN(C)c2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001573620155 947676454 /nfs/dbraw/zinc/67/64/54/947676454.db2.gz YRUNCSCIXXJNHG-OLZOCXBDSA-N -1 1 382.428 1.338 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CN(C)c2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001573620155 947676458 /nfs/dbraw/zinc/67/64/58/947676458.db2.gz YRUNCSCIXXJNHG-OLZOCXBDSA-N -1 1 382.428 1.338 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCCCCOC(C)C ZINC000826232631 947683109 /nfs/dbraw/zinc/68/31/09/947683109.db2.gz AXWHKYXPCMMYFZ-UHFFFAOYSA-N -1 1 376.461 1.838 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001573359729 947689488 /nfs/dbraw/zinc/68/94/88/947689488.db2.gz ZPRLZLOSVMWYNS-OTVXOJSOSA-N -1 1 376.424 1.920 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573359729 947689495 /nfs/dbraw/zinc/68/94/95/947689495.db2.gz ZPRLZLOSVMWYNS-OTVXOJSOSA-N -1 1 376.424 1.920 20 0 GDADMM C/C(=C\C(=O)N[C@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2)C1CC1 ZINC001573361673 947693963 /nfs/dbraw/zinc/69/39/63/947693963.db2.gz DOPKJLBDMXCJFH-WONIAPNHSA-N -1 1 380.456 1.488 20 0 GDADMM C/C(=C\C(=O)N[C@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2)C1CC1 ZINC001573361673 947693974 /nfs/dbraw/zinc/69/39/74/947693974.db2.gz DOPKJLBDMXCJFH-WONIAPNHSA-N -1 1 380.456 1.488 20 0 GDADMM C[C@H](C(=O)N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1)c1ccsc1 ZINC001573625153 947698725 /nfs/dbraw/zinc/69/87/25/947698725.db2.gz NIBRWGBQXVQBQB-NSHDSACASA-N -1 1 384.469 1.925 20 0 GDADMM C[C@H](C(=O)N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1)c1ccsc1 ZINC001573625153 947698734 /nfs/dbraw/zinc/69/87/34/947698734.db2.gz NIBRWGBQXVQBQB-NSHDSACASA-N -1 1 384.469 1.925 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cccc(F)c1 ZINC001573625987 947706956 /nfs/dbraw/zinc/70/69/56/947706956.db2.gz RDVBNINXHBYFAC-BXUZGUMPSA-N -1 1 382.403 1.612 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cccc(F)c1 ZINC001573625987 947706962 /nfs/dbraw/zinc/70/69/62/947706962.db2.gz RDVBNINXHBYFAC-BXUZGUMPSA-N -1 1 382.403 1.612 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1)n1cccc1 ZINC001573627637 947728613 /nfs/dbraw/zinc/72/86/13/947728613.db2.gz DAQALGBTOXONCR-KGLIPLIRSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1)n1cccc1 ZINC001573627637 947728618 /nfs/dbraw/zinc/72/86/18/947728618.db2.gz DAQALGBTOXONCR-KGLIPLIRSA-N -1 1 381.444 1.512 20 0 GDADMM CC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C)c1ccccc1F ZINC001573365202 947730588 /nfs/dbraw/zinc/73/05/88/947730588.db2.gz LOESWOHVJKAAIU-MRXNPFEDSA-N -1 1 389.412 1.923 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]2[C@H]1CCN2c1cnc(-c2nnn[n-]2)cn1)C1CCC1 ZINC001573627852 947738456 /nfs/dbraw/zinc/73/84/56/947738456.db2.gz FXUOJWLZBVBDFD-APHBMKBZSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]2[C@H]1CCN2c1cnc(-c2nn[n-]n2)cn1)C1CCC1 ZINC001573627852 947738465 /nfs/dbraw/zinc/73/84/65/947738465.db2.gz FXUOJWLZBVBDFD-APHBMKBZSA-N -1 1 382.472 1.663 20 0 GDADMM C/C(=C/C(=O)NCC1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1)C1CC1 ZINC001573366391 947739791 /nfs/dbraw/zinc/73/97/91/947739791.db2.gz WATWAERWFJKEFG-XFXZXTDPSA-N -1 1 382.472 1.654 20 0 GDADMM C/C(=C/C(=O)NCC1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001573366391 947739798 /nfs/dbraw/zinc/73/97/98/947739798.db2.gz WATWAERWFJKEFG-XFXZXTDPSA-N -1 1 382.472 1.654 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001573628321 947752905 /nfs/dbraw/zinc/75/29/05/947752905.db2.gz KTBVCJGSJNKIAM-QWRGUYRKSA-N -1 1 380.403 1.163 20 0 GDADMM Cc1cc(C)n(-c2ccccc2CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)n1 ZINC000826265223 947766116 /nfs/dbraw/zinc/76/61/16/947766116.db2.gz QKMKSGYNBIXNAX-UHFFFAOYSA-N -1 1 392.423 1.825 20 0 GDADMM Cc1cc(C)n(-c2ccccc2CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)n1 ZINC000826265223 947766123 /nfs/dbraw/zinc/76/61/23/947766123.db2.gz QKMKSGYNBIXNAX-UHFFFAOYSA-N -1 1 392.423 1.825 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@@H](C)[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001573368356 947768070 /nfs/dbraw/zinc/76/80/70/947768070.db2.gz NIKIOEILZUPQGM-TZMCWYRMSA-N -1 1 386.460 1.313 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@@H](C)[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001573368356 947768078 /nfs/dbraw/zinc/76/80/78/947768078.db2.gz NIKIOEILZUPQGM-TZMCWYRMSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1nccnc1-c1nnn[n-]1)C(C)(F)F ZINC001573629181 947773335 /nfs/dbraw/zinc/77/33/35/947773335.db2.gz RATFIOYTIDZNHA-MNOVXSKESA-N -1 1 380.403 1.375 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1nccnc1-c1nn[n-]n1)C(C)(F)F ZINC001573629181 947773342 /nfs/dbraw/zinc/77/33/42/947773342.db2.gz RATFIOYTIDZNHA-MNOVXSKESA-N -1 1 380.403 1.375 20 0 GDADMM CC(=O)CCCC(=O)N(C)CCN(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573369816 947776541 /nfs/dbraw/zinc/77/65/41/947776541.db2.gz XGGJNNPNRUEQKA-UHFFFAOYSA-N -1 1 385.881 1.631 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001573629263 947776200 /nfs/dbraw/zinc/77/62/00/947776200.db2.gz NBDHJAQOHXJOFJ-ZJUUUORDSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001573629263 947776207 /nfs/dbraw/zinc/77/62/07/947776207.db2.gz NBDHJAQOHXJOFJ-ZJUUUORDSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccnc(-c2nn[n-]n2)n1)C1CCC1 ZINC001573630559 947792234 /nfs/dbraw/zinc/79/22/34/947792234.db2.gz YQSGKKPIVQIEJO-CFVMTHIKSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001573631504 947801311 /nfs/dbraw/zinc/80/13/11/947801311.db2.gz VPQPHMFUJXGNJE-KBPBESRZSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001573631504 947801317 /nfs/dbraw/zinc/80/13/17/947801317.db2.gz VPQPHMFUJXGNJE-KBPBESRZSA-N -1 1 381.444 1.147 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001573375273 947819071 /nfs/dbraw/zinc/81/90/71/947819071.db2.gz NIWMKSUGLWKHPG-ZIAGYGMSSA-N -1 1 386.460 1.198 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001573375273 947819085 /nfs/dbraw/zinc/81/90/85/947819085.db2.gz NIWMKSUGLWKHPG-ZIAGYGMSSA-N -1 1 386.460 1.198 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573376501 947837987 /nfs/dbraw/zinc/83/79/87/947837987.db2.gz ZYQQSEXDWFKKJR-CQSZACIVSA-N -1 1 386.460 1.375 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573376501 947837997 /nfs/dbraw/zinc/83/79/97/947837997.db2.gz ZYQQSEXDWFKKJR-CQSZACIVSA-N -1 1 386.460 1.375 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)C1CCC1 ZINC001573638566 947840239 /nfs/dbraw/zinc/84/02/39/947840239.db2.gz PYACXXOYNSXINA-DUVNUKRYSA-N -1 1 382.472 1.520 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)C1CCC1 ZINC001573638566 947840244 /nfs/dbraw/zinc/84/02/44/947840244.db2.gz PYACXXOYNSXINA-DUVNUKRYSA-N -1 1 382.472 1.520 20 0 GDADMM Cc1cccc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1F ZINC000826299706 947868885 /nfs/dbraw/zinc/86/88/85/947868885.db2.gz QPDZADYSFUSCJL-LBPRGKRZSA-N -1 1 397.418 1.847 20 0 GDADMM Cc1cccc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1F ZINC000826299706 947868891 /nfs/dbraw/zinc/86/88/91/947868891.db2.gz QPDZADYSFUSCJL-LBPRGKRZSA-N -1 1 397.418 1.847 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cccs1 ZINC001573647556 947897439 /nfs/dbraw/zinc/89/74/39/947897439.db2.gz OYEVYVFILFCUEZ-NQBHXWOUSA-N -1 1 384.469 1.781 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573647556 947897446 /nfs/dbraw/zinc/89/74/46/947897446.db2.gz OYEVYVFILFCUEZ-NQBHXWOUSA-N -1 1 384.469 1.781 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](C)[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1)C(C)(C)C ZINC001573647887 947903859 /nfs/dbraw/zinc/90/38/59/947903859.db2.gz VCNGBSPAULWGLP-MGPQQGTHSA-N -1 1 386.504 1.657 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1C[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573384513 947904452 /nfs/dbraw/zinc/90/44/52/947904452.db2.gz QJGPOOYBWOKHAS-DTORHVGOSA-N -1 1 383.865 1.795 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1)C1CCC1 ZINC001573650356 947908972 /nfs/dbraw/zinc/90/89/72/947908972.db2.gz AXHGVWRCTFTEAU-CFVMTHIKSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1)C(C)(C)C ZINC001573650654 947911951 /nfs/dbraw/zinc/91/19/51/947911951.db2.gz CQCHKSYXRCLGRG-MJBXVCDLSA-N -1 1 384.488 1.624 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1)C(C)(C)C ZINC001573650654 947911958 /nfs/dbraw/zinc/91/19/58/947911958.db2.gz CQCHKSYXRCLGRG-MJBXVCDLSA-N -1 1 384.488 1.624 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1)C(C)(C)C ZINC001573650741 947913567 /nfs/dbraw/zinc/91/35/67/947913567.db2.gz DNKVABVVVRWIHU-MCIONIFRSA-N -1 1 384.488 1.624 20 0 GDADMM C[C@@H](C(=O)N1C[C@@]2(C)CN(c3nccnc3-c3nnn[n-]3)C[C@@]2(C)C1)C1CC1 ZINC001573651221 947919301 /nfs/dbraw/zinc/91/93/01/947919301.db2.gz KGFOYZCCKUAGBK-DPMMWBKBSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H](C(=O)N1C[C@@]2(C)CN(c3nccnc3-c3nn[n-]n3)C[C@@]2(C)C1)C1CC1 ZINC001573651221 947919306 /nfs/dbraw/zinc/91/93/06/947919306.db2.gz KGFOYZCCKUAGBK-DPMMWBKBSA-N -1 1 382.472 1.378 20 0 GDADMM Cc1cn2c(n1)CN(C(=O)CCc1c(C)[nH]c(=O)c(-c3nn[n-]n3)c1C)CC2 ZINC000826316904 947923126 /nfs/dbraw/zinc/92/31/26/947923126.db2.gz DQMXKLDBMIPHKF-UHFFFAOYSA-N -1 1 382.428 1.064 20 0 GDADMM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1)c1ccsc1 ZINC001573651963 947925305 /nfs/dbraw/zinc/92/53/05/947925305.db2.gz SATSXLUJVZDMTA-DRZSPHRISA-N -1 1 382.453 1.311 20 0 GDADMM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1)c1ccsc1 ZINC001573651963 947925310 /nfs/dbraw/zinc/92/53/10/947925310.db2.gz SATSXLUJVZDMTA-DRZSPHRISA-N -1 1 382.453 1.311 20 0 GDADMM C[C@H](C(=O)N[C@](C)(CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)C(F)(F)F ZINC001573652102 947929747 /nfs/dbraw/zinc/92/97/47/947929747.db2.gz AVVYJVXEGZPIMN-XLKFXECMSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](C(=O)N[C@](C)(CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)C(F)(F)F ZINC001573652102 947929752 /nfs/dbraw/zinc/92/97/52/947929752.db2.gz AVVYJVXEGZPIMN-XLKFXECMSA-N -1 1 384.366 1.552 20 0 GDADMM Cc1oc(NC(=O)COC(=O)c2ccc3cc[nH]c3n2)c(-c2nn[n-]n2)c1C ZINC000826342430 947983596 /nfs/dbraw/zinc/98/35/96/947983596.db2.gz JWCASWALUNGULI-UHFFFAOYSA-N -1 1 381.352 1.748 20 0 GDADMM Cc1onc(CC(=O)N(C[C@H](O)c2ccc(F)cc2)C2CC2)c1-c1nnn[n-]1 ZINC000826343436 947990733 /nfs/dbraw/zinc/99/07/33/947990733.db2.gz ARCAZEDDZJGPMK-HNNXBMFYSA-N -1 1 386.387 1.569 20 0 GDADMM Cc1onc(CC(=O)N(C[C@H](O)c2ccc(F)cc2)C2CC2)c1-c1nn[n-]n1 ZINC000826343436 947990739 /nfs/dbraw/zinc/99/07/39/947990739.db2.gz ARCAZEDDZJGPMK-HNNXBMFYSA-N -1 1 386.387 1.569 20 0 GDADMM Cc1onc(CC(=O)N2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)c1-c1nnn[n-]1 ZINC000826343712 947995596 /nfs/dbraw/zinc/99/55/96/947995596.db2.gz KXPFYSVUNAIIOM-MEBBXXQBSA-N -1 1 386.387 1.833 20 0 GDADMM Cc1onc(CC(=O)N2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)c1-c1nn[n-]n1 ZINC000826343712 947995601 /nfs/dbraw/zinc/99/56/01/947995601.db2.gz KXPFYSVUNAIIOM-MEBBXXQBSA-N -1 1 386.387 1.833 20 0 GDADMM Cc1onc(CC(=O)N2CCC(OCc3ccccc3)CC2)c1-c1nnn[n-]1 ZINC000826343829 947997410 /nfs/dbraw/zinc/99/74/10/947997410.db2.gz OFBMMNSRWQSFDC-UHFFFAOYSA-N -1 1 382.424 1.913 20 0 GDADMM Cc1onc(CC(=O)N2CCC(OCc3ccccc3)CC2)c1-c1nn[n-]n1 ZINC000826343829 947997417 /nfs/dbraw/zinc/99/74/17/947997417.db2.gz OFBMMNSRWQSFDC-UHFFFAOYSA-N -1 1 382.424 1.913 20 0 GDADMM Cc1onc(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1-c1nnn[n-]1 ZINC000826344359 948005992 /nfs/dbraw/zinc/00/59/92/948005992.db2.gz FTQPEJXSPCQMBY-UHFFFAOYSA-N -1 1 387.831 1.708 20 0 GDADMM Cc1onc(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1-c1nn[n-]n1 ZINC000826344359 948006001 /nfs/dbraw/zinc/00/60/01/948006001.db2.gz FTQPEJXSPCQMBY-UHFFFAOYSA-N -1 1 387.831 1.708 20 0 GDADMM Cc1onc(CC(=O)N[C@H](Cn2cccn2)c2ccccc2)c1-c1nnn[n-]1 ZINC000826345064 948018425 /nfs/dbraw/zinc/01/84/25/948018425.db2.gz AVUOZFLSHGHRLB-OAHLLOKOSA-N -1 1 378.396 1.460 20 0 GDADMM Cc1onc(CC(=O)N[C@H](Cn2cccn2)c2ccccc2)c1-c1nn[n-]n1 ZINC000826345064 948018431 /nfs/dbraw/zinc/01/84/31/948018431.db2.gz AVUOZFLSHGHRLB-OAHLLOKOSA-N -1 1 378.396 1.460 20 0 GDADMM C[C@H](C(=O)NC1(CNc2ccc(-c3nnn[n-]3)nn2)CCCC1)c1ccco1 ZINC001573660084 948018841 /nfs/dbraw/zinc/01/88/41/948018841.db2.gz YMEPIQRCMKQSBI-LBPRGKRZSA-N -1 1 382.428 1.894 20 0 GDADMM C[C@H](C(=O)NC1(CNc2ccc(-c3nn[n-]n3)nn2)CCCC1)c1ccco1 ZINC001573660084 948018851 /nfs/dbraw/zinc/01/88/51/948018851.db2.gz YMEPIQRCMKQSBI-LBPRGKRZSA-N -1 1 382.428 1.894 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](C)c2noc(-c3ccccc3)n2)c1-c1nnn[n-]1 ZINC000826345952 948032792 /nfs/dbraw/zinc/03/27/92/948032792.db2.gz YVSVJJYUVAFSGQ-VIFPVBQESA-N -1 1 380.368 1.633 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](C)c2noc(-c3ccccc3)n2)c1-c1nn[n-]n1 ZINC000826345952 948032800 /nfs/dbraw/zinc/03/28/00/948032800.db2.gz YVSVJJYUVAFSGQ-VIFPVBQESA-N -1 1 380.368 1.633 20 0 GDADMM Cc1onc(CC(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)c1-c1nnn[n-]1 ZINC000826346088 948036525 /nfs/dbraw/zinc/03/65/25/948036525.db2.gz BZIPDQKLDDLSKJ-SNVBAGLBSA-N -1 1 389.366 1.379 20 0 GDADMM Cc1onc(CC(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)c1-c1nn[n-]n1 ZINC000826346088 948036534 /nfs/dbraw/zinc/03/65/34/948036534.db2.gz BZIPDQKLDDLSKJ-SNVBAGLBSA-N -1 1 389.366 1.379 20 0 GDADMM C[C@@H](C(=O)NC1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1)n1cccc1 ZINC001573666178 948083191 /nfs/dbraw/zinc/08/31/91/948083191.db2.gz QARKYHQBGYHLGA-HSBZDZAISA-N -1 1 381.444 1.559 20 0 GDADMM C[C@@H](C(=O)NC1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1)n1cccc1 ZINC001573666178 948083200 /nfs/dbraw/zinc/08/32/00/948083200.db2.gz QARKYHQBGYHLGA-HSBZDZAISA-N -1 1 381.444 1.559 20 0 GDADMM Cc1onc(CC(=O)Nc2ccccc2N2C[C@@H](C)O[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000826349085 948089090 /nfs/dbraw/zinc/08/90/90/948089090.db2.gz SQDJGJHWBMILKN-TXEJJXNPSA-N -1 1 397.439 1.958 20 0 GDADMM Cc1onc(CC(=O)Nc2ccccc2N2C[C@@H](C)O[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000826349085 948089103 /nfs/dbraw/zinc/08/91/03/948089103.db2.gz SQDJGJHWBMILKN-TXEJJXNPSA-N -1 1 397.439 1.958 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1)C(C)(F)F ZINC001573673364 948112710 /nfs/dbraw/zinc/11/27/10/948112710.db2.gz KREOMTKRQIBLKU-RQJHMYQMSA-N -1 1 391.835 1.963 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1)C(C)(F)F ZINC001573675343 948121254 /nfs/dbraw/zinc/12/12/54/948121254.db2.gz PSPCJMTYTCZWIT-RQJHMYQMSA-N -1 1 391.835 1.963 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1)C(C)(F)F ZINC001573675343 948121260 /nfs/dbraw/zinc/12/12/60/948121260.db2.gz PSPCJMTYTCZWIT-RQJHMYQMSA-N -1 1 391.835 1.963 20 0 GDADMM C[C@H](CNC(=O)[C@@H](C)c1cccc(F)c1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001573677011 948130482 /nfs/dbraw/zinc/13/04/82/948130482.db2.gz BUYRWIRQLILBGS-NEPJUHHUSA-N -1 1 384.419 1.540 20 0 GDADMM Cn1cc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c(-c2ccccc2)n1 ZINC000826361599 948131072 /nfs/dbraw/zinc/13/10/72/948131072.db2.gz FGHQEIWMADECPA-UHFFFAOYSA-N -1 1 396.436 1.141 20 0 GDADMM Cn1cc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c(-c2ccccc2)n1 ZINC000826361599 948131078 /nfs/dbraw/zinc/13/10/78/948131078.db2.gz FGHQEIWMADECPA-UHFFFAOYSA-N -1 1 396.436 1.141 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C)C(C)(F)F ZINC001573677297 948133803 /nfs/dbraw/zinc/13/38/03/948133803.db2.gz BWJFQKAFEZHZRZ-ONGXEEELSA-N -1 1 380.403 1.279 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C)C(C)(F)F ZINC001573677297 948133811 /nfs/dbraw/zinc/13/38/11/948133811.db2.gz BWJFQKAFEZHZRZ-ONGXEEELSA-N -1 1 380.403 1.279 20 0 GDADMM Cn1cnc(-c2cccc([N-]S(=O)(=O)c3cccc(-c4nn[nH]n4)c3)c2)n1 ZINC000826364862 948142027 /nfs/dbraw/zinc/14/20/27/948142027.db2.gz OIXVZHNCCREGQU-UHFFFAOYSA-N -1 1 382.409 1.463 20 0 GDADMM C[C@H](C(=O)NC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1)c1cccnc1 ZINC001573678294 948146885 /nfs/dbraw/zinc/14/68/85/948146885.db2.gz CKNTZXORWWWNKR-SMDDNHRTSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@H](C(=O)NC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1)c1cccnc1 ZINC001573678294 948146891 /nfs/dbraw/zinc/14/68/91/948146891.db2.gz CKNTZXORWWWNKR-SMDDNHRTSA-N -1 1 379.428 1.162 20 0 GDADMM CC(=O)N1C[C@H](C)OC2(CCN(c3snc(C)c3-c3nn[n-]n3)CC2)C1 ZINC001573425660 948151161 /nfs/dbraw/zinc/15/11/61/948151161.db2.gz ALUXEONUJPBIIB-JTQLQIEISA-N -1 1 377.474 1.238 20 0 GDADMM CC(C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C)=C1CCCC1 ZINC001573679573 948163896 /nfs/dbraw/zinc/16/38/96/948163896.db2.gz KXYMQAXNPBEHLI-OAHLLOKOSA-N -1 1 382.472 1.878 20 0 GDADMM CC(C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C)=C1CCCC1 ZINC001573679573 948163900 /nfs/dbraw/zinc/16/39/00/948163900.db2.gz KXYMQAXNPBEHLI-OAHLLOKOSA-N -1 1 382.472 1.878 20 0 GDADMM C[C@@H](C(=O)NC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1)c1cccs1 ZINC001573680310 948177330 /nfs/dbraw/zinc/17/73/30/948177330.db2.gz MXRKRXUEIYILKS-PWSUYJOCSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)NC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1)c1cccs1 ZINC001573680310 948177334 /nfs/dbraw/zinc/17/73/34/948177334.db2.gz MXRKRXUEIYILKS-PWSUYJOCSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NC[C@@]1(C)CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1CCC1 ZINC001573690566 948225711 /nfs/dbraw/zinc/22/57/11/948225711.db2.gz DPVHWJGJADUNDM-ORAYPTAESA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NC[C@@]1(C)CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1CCC1 ZINC001573690566 948225716 /nfs/dbraw/zinc/22/57/16/948225716.db2.gz DPVHWJGJADUNDM-ORAYPTAESA-N -1 1 384.488 1.816 20 0 GDADMM O=C(NCCn1ccnn1)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826440666 948300633 /nfs/dbraw/zinc/30/06/33/948300633.db2.gz WETZPTLWKSADPS-UHFFFAOYSA-N -1 1 394.370 1.820 20 0 GDADMM O=C(NCCn1ccnn1)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826440666 948300643 /nfs/dbraw/zinc/30/06/43/948300643.db2.gz WETZPTLWKSADPS-UHFFFAOYSA-N -1 1 394.370 1.820 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001573701593 948340933 /nfs/dbraw/zinc/34/09/33/948340933.db2.gz BGTIKZNXPAUXDR-UWVGGRQHSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001573701593 948340943 /nfs/dbraw/zinc/34/09/43/948340943.db2.gz BGTIKZNXPAUXDR-UWVGGRQHSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccco1 ZINC001573702567 948346378 /nfs/dbraw/zinc/34/63/78/948346378.db2.gz FMGVTJHYIYKCQG-OLZOCXBDSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccco1 ZINC001573702567 948346388 /nfs/dbraw/zinc/34/63/88/948346388.db2.gz FMGVTJHYIYKCQG-OLZOCXBDSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1)C1CCCC1 ZINC001573702608 948346570 /nfs/dbraw/zinc/34/65/70/948346570.db2.gz FVIUHDJISSNFFJ-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1)C1CCCC1 ZINC001573702608 948346579 /nfs/dbraw/zinc/34/65/79/948346579.db2.gz FVIUHDJISSNFFJ-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1CCCC1 ZINC001573704301 948370710 /nfs/dbraw/zinc/37/07/10/948370710.db2.gz RFNXZCCXBSHYCL-KGLIPLIRSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1CCCC1 ZINC001573704301 948370717 /nfs/dbraw/zinc/37/07/17/948370717.db2.gz RFNXZCCXBSHYCL-KGLIPLIRSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cccs1 ZINC001573704797 948382110 /nfs/dbraw/zinc/38/21/10/948382110.db2.gz DSIOLTLCMYRXLO-VXGBXAGGSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cccs1 ZINC001573704797 948382119 /nfs/dbraw/zinc/38/21/19/948382119.db2.gz DSIOLTLCMYRXLO-VXGBXAGGSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@@H](C(=O)NCC1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccsc1 ZINC001573705054 948389271 /nfs/dbraw/zinc/38/92/71/948389271.db2.gz VNSHTKZRQXSOHB-XSRFYTQQSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)NCC1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccsc1 ZINC001573705054 948389275 /nfs/dbraw/zinc/38/92/75/948389275.db2.gz VNSHTKZRQXSOHB-XSRFYTQQSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001573705453 948400598 /nfs/dbraw/zinc/40/05/98/948400598.db2.gz WXRQSWDUNLCQRU-KGLIPLIRSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001573705453 948400603 /nfs/dbraw/zinc/40/06/03/948400603.db2.gz WXRQSWDUNLCQRU-KGLIPLIRSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](C(=O)NCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C(C)(F)F ZINC001573708335 948448448 /nfs/dbraw/zinc/44/84/48/948448448.db2.gz UFSFZMQUFPJFPU-JTQLQIEISA-N -1 1 380.403 1.281 20 0 GDADMM C[C@@H](C(=O)NCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C(C)(F)F ZINC001573708335 948448454 /nfs/dbraw/zinc/44/84/54/948448454.db2.gz UFSFZMQUFPJFPU-JTQLQIEISA-N -1 1 380.403 1.281 20 0 GDADMM C[C@H](C(=O)NCC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001573714298 948471206 /nfs/dbraw/zinc/47/12/06/948471206.db2.gz FLLWRIZKYXMACP-ZIAGYGMSSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@H](C(=O)NCC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)C(C)(F)F ZINC001573715348 948488057 /nfs/dbraw/zinc/48/80/57/948488057.db2.gz URQVXIOXHLWESF-GHMZBOCLSA-N -1 1 380.403 1.281 20 0 GDADMM C[C@H](C(=O)NCC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)C(C)(F)F ZINC001573715348 948488058 /nfs/dbraw/zinc/48/80/58/948488058.db2.gz URQVXIOXHLWESF-GHMZBOCLSA-N -1 1 380.403 1.281 20 0 GDADMM C[C@H](C(=O)NCC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C(C)(F)F ZINC001573715340 948488637 /nfs/dbraw/zinc/48/86/37/948488637.db2.gz UOSCAUNKVASATG-GHMZBOCLSA-N -1 1 380.403 1.281 20 0 GDADMM C[C@H](C(=O)NCC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C(C)(F)F ZINC001573715340 948488645 /nfs/dbraw/zinc/48/86/45/948488645.db2.gz UOSCAUNKVASATG-GHMZBOCLSA-N -1 1 380.403 1.281 20 0 GDADMM C[C@H](C(=O)NCC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001573715555 948492498 /nfs/dbraw/zinc/49/24/98/948492498.db2.gz ZASSOPKOBDYAEB-ZJUUUORDSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@H](C(=O)NCC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001573715555 948492500 /nfs/dbraw/zinc/49/25/00/948492500.db2.gz ZASSOPKOBDYAEB-ZJUUUORDSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@H](C(=O)NCC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C)C1CCC1 ZINC001573716514 948498314 /nfs/dbraw/zinc/49/83/14/948498314.db2.gz HBZNSGXQZASCKG-VNHYZAJKSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@H](C(=O)NCC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C)C1CCC1 ZINC001573716514 948498321 /nfs/dbraw/zinc/49/83/21/948498321.db2.gz HBZNSGXQZASCKG-VNHYZAJKSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C)C(C)(F)F ZINC001573726695 948549803 /nfs/dbraw/zinc/54/98/03/948549803.db2.gz JLRWMLHDSVHGCE-OUAUKWLOSA-N -1 1 380.403 1.137 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C)C(C)(F)F ZINC001573726695 948549810 /nfs/dbraw/zinc/54/98/10/948549810.db2.gz JLRWMLHDSVHGCE-OUAUKWLOSA-N -1 1 380.403 1.137 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1cncc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001573736439 948616362 /nfs/dbraw/zinc/61/63/62/948616362.db2.gz SZGWNLRTBPXNGI-IVZWLZJFSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1cncc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573736439 948616364 /nfs/dbraw/zinc/61/63/64/948616364.db2.gz SZGWNLRTBPXNGI-IVZWLZJFSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H](C)n1cnc2ccccc21 ZINC001573739535 948620751 /nfs/dbraw/zinc/62/07/51/948620751.db2.gz DUTNLJXABKIMPL-NEPJUHHUSA-N -1 1 392.427 1.184 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H](C)n1cnc2ccccc21 ZINC001573739535 948620755 /nfs/dbraw/zinc/62/07/55/948620755.db2.gz DUTNLJXABKIMPL-NEPJUHHUSA-N -1 1 392.427 1.184 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)c1ccc(F)c(F)c1 ZINC001573742913 948664352 /nfs/dbraw/zinc/66/43/52/948664352.db2.gz TXUFEFHZYHOORC-NXEZZACHSA-N -1 1 388.382 1.077 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H](C)c1c(F)cccc1F ZINC001573743144 948667422 /nfs/dbraw/zinc/66/74/22/948667422.db2.gz YVGIAMWVYWRECT-ZJUUUORDSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)c1c(F)cccc1F ZINC001573743144 948667428 /nfs/dbraw/zinc/66/74/28/948667428.db2.gz YVGIAMWVYWRECT-ZJUUUORDSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1)c1ccco1 ZINC001573752998 948716093 /nfs/dbraw/zinc/71/60/93/948716093.db2.gz QCDHJFFHDVQHBW-OPDFLTKYSA-N -1 1 380.412 1.279 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1)c1ccco1 ZINC001573752998 948716100 /nfs/dbraw/zinc/71/61/00/948716100.db2.gz QCDHJFFHDVQHBW-OPDFLTKYSA-N -1 1 380.412 1.279 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1)c1cccnc1 ZINC001573753406 948719663 /nfs/dbraw/zinc/71/96/63/948719663.db2.gz TWNVCKBCXQJKJX-AEIGPULVSA-N -1 1 391.439 1.081 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1)c1cccnc1 ZINC001573753406 948719668 /nfs/dbraw/zinc/71/96/68/948719668.db2.gz TWNVCKBCXQJKJX-AEIGPULVSA-N -1 1 391.439 1.081 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@@H](C)[C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)cn1 ZINC001574416497 948749960 /nfs/dbraw/zinc/74/99/60/948749960.db2.gz VPKYTGIAZSTZFN-NEPJUHHUSA-N -1 1 381.444 1.794 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@@H](C)[C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)cn1 ZINC001574416497 948749971 /nfs/dbraw/zinc/74/99/71/948749971.db2.gz VPKYTGIAZSTZFN-NEPJUHHUSA-N -1 1 381.444 1.794 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)CC2)CC1 ZINC001575222250 948754924 /nfs/dbraw/zinc/75/49/24/948754924.db2.gz HFKWBLNKPHAMFH-LLVKDONJSA-N -1 1 392.414 1.567 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)CC2)CC1 ZINC001575222250 948754930 /nfs/dbraw/zinc/75/49/30/948754930.db2.gz HFKWBLNKPHAMFH-LLVKDONJSA-N -1 1 392.414 1.567 20 0 GDADMM CC(F)(F)C1(C(=O)NC2CC(CNc3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001575222089 948755610 /nfs/dbraw/zinc/75/56/10/948755610.db2.gz DTVVNFVEOBQWKM-UHFFFAOYSA-N -1 1 378.387 1.399 20 0 GDADMM CC(F)(F)C1(C(=O)NC2CC(CNc3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001575222089 948755625 /nfs/dbraw/zinc/75/56/25/948755625.db2.gz DTVVNFVEOBQWKM-UHFFFAOYSA-N -1 1 378.387 1.399 20 0 GDADMM C[C@@H](C(=O)Nc1cccc(Nc2ccnc(-c3nnn[n-]3)c2)c1)n1cccn1 ZINC001573755174 948758040 /nfs/dbraw/zinc/75/80/40/948758040.db2.gz BPYANQZUNVHYHR-LBPRGKRZSA-N -1 1 375.396 1.823 20 0 GDADMM C[C@@H](C(=O)Nc1cccc(Nc2ccnc(-c3nn[n-]n3)c2)c1)n1cccn1 ZINC001573755174 948758051 /nfs/dbraw/zinc/75/80/51/948758051.db2.gz BPYANQZUNVHYHR-LBPRGKRZSA-N -1 1 375.396 1.823 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@H](C)[C@H](C)Nc2nccnc2-c2nnn[n-]2)n1 ZINC001574416816 948763936 /nfs/dbraw/zinc/76/39/36/948763936.db2.gz JBHFYHBJQGYJJW-NWDGAFQWSA-N -1 1 381.444 1.794 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@H](C)[C@H](C)Nc2nccnc2-c2nn[n-]n2)n1 ZINC001574416816 948763943 /nfs/dbraw/zinc/76/39/43/948763943.db2.gz JBHFYHBJQGYJJW-NWDGAFQWSA-N -1 1 381.444 1.794 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cc2n(c1)CCCC2 ZINC001574679146 948765857 /nfs/dbraw/zinc/76/58/57/948765857.db2.gz OVYBYEQOKOXKIP-GFCCVEGCSA-N -1 1 381.444 1.415 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cc2n(c1)CCCC2 ZINC001574679146 948765870 /nfs/dbraw/zinc/76/58/70/948765870.db2.gz OVYBYEQOKOXKIP-GFCCVEGCSA-N -1 1 381.444 1.415 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)Cc1c(F)cccc1F ZINC001574679053 948766064 /nfs/dbraw/zinc/76/60/64/948766064.db2.gz MJDAIAYJQGTZQB-SNVBAGLBSA-N -1 1 388.382 1.484 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)Cc1c(F)cccc1F ZINC001574679053 948766075 /nfs/dbraw/zinc/76/60/75/948766075.db2.gz MJDAIAYJQGTZQB-SNVBAGLBSA-N -1 1 388.382 1.484 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001574679088 948766127 /nfs/dbraw/zinc/76/61/27/948766127.db2.gz NFFBRCSBTJXCCH-IAMHBRQHSA-N -1 1 392.467 1.941 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001574679088 948766142 /nfs/dbraw/zinc/76/61/42/948766142.db2.gz NFFBRCSBTJXCCH-IAMHBRQHSA-N -1 1 392.467 1.941 20 0 GDADMM CC(C)[C@H](F)C(=O)NCCCN(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001574079191 948766325 /nfs/dbraw/zinc/76/63/25/948766325.db2.gz BNLPCQOPZPAYIE-VIFPVBQESA-N -1 1 375.861 1.913 20 0 GDADMM CC(C)[C@H](F)C(=O)NCCCN(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001574079191 948766336 /nfs/dbraw/zinc/76/63/36/948766336.db2.gz BNLPCQOPZPAYIE-VIFPVBQESA-N -1 1 375.861 1.913 20 0 GDADMM CC(C)[C@H](F)C(=O)NC[C@]12CCC[C@H]1N(c1nccnc1-c1nnn[n-]1)CC2 ZINC001574079155 948767450 /nfs/dbraw/zinc/76/74/50/948767450.db2.gz AYENGZAVRGCDED-FHSNZYRGSA-N -1 1 388.451 1.516 20 0 GDADMM CC(C)[C@H](F)C(=O)NC[C@]12CCC[C@H]1N(c1nccnc1-c1nn[n-]n1)CC2 ZINC001574079155 948767456 /nfs/dbraw/zinc/76/74/56/948767456.db2.gz AYENGZAVRGCDED-FHSNZYRGSA-N -1 1 388.451 1.516 20 0 GDADMM C[C@@H](CNC(=O)CCc1cccc(Cl)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574915654 948767649 /nfs/dbraw/zinc/76/76/49/948767649.db2.gz WJYIQJLXHQQYKQ-NSHDSACASA-N -1 1 386.847 1.281 20 0 GDADMM CC(C)[C@@H](F)C(=O)NCC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C ZINC001574079740 948778942 /nfs/dbraw/zinc/77/89/42/948778942.db2.gz GPQUHYMOOBHFNK-LALPHHSUSA-N -1 1 376.440 1.229 20 0 GDADMM CC(C)[C@@H](F)C(=O)NCC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C ZINC001574079740 948778954 /nfs/dbraw/zinc/77/89/54/948778954.db2.gz GPQUHYMOOBHFNK-LALPHHSUSA-N -1 1 376.440 1.229 20 0 GDADMM CC(C)[C@H](F)C(=O)N[C@H](C)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574080380 948788529 /nfs/dbraw/zinc/78/85/29/948788529.db2.gz QBKQKXMTUFAGIQ-RISCZKNCSA-N -1 1 376.440 1.372 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cccc2cc[nH]c21 ZINC001574679894 948792489 /nfs/dbraw/zinc/79/24/89/948792489.db2.gz ATHZDHLYWOLKRH-LLVKDONJSA-N -1 1 377.412 1.759 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cccc2cc[nH]c21 ZINC001574679894 948792495 /nfs/dbraw/zinc/79/24/95/948792495.db2.gz ATHZDHLYWOLKRH-LLVKDONJSA-N -1 1 377.412 1.759 20 0 GDADMM C[C@@H](C(=O)Nc1ccc(F)c(Br)c1F)n1cnc(-c2nn[n-]n2)n1 ZINC001573756042 948794555 /nfs/dbraw/zinc/79/45/55/948794555.db2.gz LMMOGCYWDMRCIU-YFKPBYRVSA-N -1 1 399.159 1.699 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cc1ccc(F)c(F)c1 ZINC001574679927 948795948 /nfs/dbraw/zinc/79/59/48/948795948.db2.gz CADASJKDVTWTBO-SNVBAGLBSA-N -1 1 388.382 1.484 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cc1ccc(F)c(F)c1 ZINC001574679927 948795963 /nfs/dbraw/zinc/79/59/63/948795963.db2.gz CADASJKDVTWTBO-SNVBAGLBSA-N -1 1 388.382 1.484 20 0 GDADMM CC(C)[C@H](F)C(=O)NCCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574080492 948798005 /nfs/dbraw/zinc/79/80/05/948798005.db2.gz MDKFPUSBIBNYGU-HNNXBMFYSA-N -1 1 376.440 1.374 20 0 GDADMM CC(C)[C@H](F)C(=O)NCCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574080492 948798015 /nfs/dbraw/zinc/79/80/15/948798015.db2.gz MDKFPUSBIBNYGU-HNNXBMFYSA-N -1 1 376.440 1.374 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ncc(Cl)s1 ZINC001574680132 948801703 /nfs/dbraw/zinc/80/17/03/948801703.db2.gz FCAYMWQOPHCWCB-SSDOTTSWSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ncc(Cl)s1 ZINC001574680132 948801717 /nfs/dbraw/zinc/80/17/17/948801717.db2.gz FCAYMWQOPHCWCB-SSDOTTSWSA-N -1 1 379.837 1.387 20 0 GDADMM CC(C)c1ccccc1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574420601 948802155 /nfs/dbraw/zinc/80/21/55/948802155.db2.gz ZSDQJWBQCIPWRD-CYBMUJFWSA-N -1 1 378.440 1.789 20 0 GDADMM C[C@H](C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)N1CSCCSC1 ZINC001573756178 948802099 /nfs/dbraw/zinc/80/20/99/948802099.db2.gz MZKULUDPZGRCEM-MRVPVSSYSA-N -1 1 380.503 1.491 20 0 GDADMM CC(C)[C@@H](F)C(=O)NC[C@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001574080789 948804029 /nfs/dbraw/zinc/80/40/29/948804029.db2.gz NKGHCHJDJSCXNW-SMDDNHRTSA-N -1 1 382.465 1.239 20 0 GDADMM CC(C)c1ccoc1C(=O)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574420810 948805490 /nfs/dbraw/zinc/80/54/90/948805490.db2.gz ANVRMGUWZADAOI-LBPRGKRZSA-N -1 1 382.428 1.947 20 0 GDADMM CC(C)c1ccoc1C(=O)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574420810 948805511 /nfs/dbraw/zinc/80/55/11/948805511.db2.gz ANVRMGUWZADAOI-LBPRGKRZSA-N -1 1 382.428 1.947 20 0 GDADMM CC(C)c1ccoc1C(=O)N1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001574420864 948806715 /nfs/dbraw/zinc/80/67/15/948806715.db2.gz CFQWFHAQIHZOFD-AAEUAGOBSA-N -1 1 382.428 1.368 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cc(C(F)F)ncn1 ZINC001574680939 948814041 /nfs/dbraw/zinc/81/40/41/948814041.db2.gz KJVZWRBRCNTXHB-QMMMGPOBSA-N -1 1 390.358 1.005 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cc(C(F)F)ncn1 ZINC001574680939 948814056 /nfs/dbraw/zinc/81/40/56/948814056.db2.gz KJVZWRBRCNTXHB-QMMMGPOBSA-N -1 1 390.358 1.005 20 0 GDADMM C[C@@H](CNC(=O)CCc1cn[nH]c1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574917332 948814985 /nfs/dbraw/zinc/81/49/85/948814985.db2.gz WQNALZMBDRFMIW-ZETCQYMHSA-N -1 1 381.853 1.249 20 0 GDADMM C[C@@H](CNC(=O)CCc1cn[nH]c1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574917332 948814998 /nfs/dbraw/zinc/81/49/98/948814998.db2.gz WQNALZMBDRFMIW-ZETCQYMHSA-N -1 1 381.853 1.249 20 0 GDADMM C[C@H](CC(=O)N[C@@H](C)CCNc1cncc(-c2nnn[n-]2)n1)c1ccncc1 ZINC001574681365 948816769 /nfs/dbraw/zinc/81/67/69/948816769.db2.gz MCFIBRLBICWHCE-OLZOCXBDSA-N -1 1 381.444 1.552 20 0 GDADMM C[C@H](CC(=O)N[C@@H](C)CCNc1cncc(-c2nn[n-]n2)n1)c1ccncc1 ZINC001574681365 948816785 /nfs/dbraw/zinc/81/67/85/948816785.db2.gz MCFIBRLBICWHCE-OLZOCXBDSA-N -1 1 381.444 1.552 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)c1ccsc1 ZINC001573756463 948819175 /nfs/dbraw/zinc/81/91/75/948819175.db2.gz SDGBXDVHSRPRDC-NYMYIZQJSA-N -1 1 382.453 1.073 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)c1ccsc1 ZINC001573756463 948819192 /nfs/dbraw/zinc/81/91/92/948819192.db2.gz SDGBXDVHSRPRDC-NYMYIZQJSA-N -1 1 382.453 1.073 20 0 GDADMM CC(F)(F)CC(=O)N1CCCC[C@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001575227089 948825762 /nfs/dbraw/zinc/82/57/62/948825762.db2.gz ROIGERFCRNCDIB-NSHDSACASA-N -1 1 380.403 1.885 20 0 GDADMM CC(F)(F)CC(=O)N1CCCC[C@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001575227089 948825775 /nfs/dbraw/zinc/82/57/75/948825775.db2.gz ROIGERFCRNCDIB-NSHDSACASA-N -1 1 380.403 1.885 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC001575227381 948828357 /nfs/dbraw/zinc/82/83/57/948828357.db2.gz VMVHMCSJWQFJIT-VXGBXAGGSA-N -1 1 378.387 1.272 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC001575227381 948828373 /nfs/dbraw/zinc/82/83/73/948828373.db2.gz VMVHMCSJWQFJIT-VXGBXAGGSA-N -1 1 378.387 1.272 20 0 GDADMM CC(C)c1ccoc1C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001574422310 948832372 /nfs/dbraw/zinc/83/23/72/948832372.db2.gz YPSHZGZIEGYMHL-IMRBUKKESA-N -1 1 380.412 1.238 20 0 GDADMM CC(F)(F)CC(=O)N1CCCC[C@@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001575227752 948833049 /nfs/dbraw/zinc/83/30/49/948833049.db2.gz ZKGMPYKDJPFDHQ-LLVKDONJSA-N -1 1 380.403 1.885 20 0 GDADMM CC(F)(F)CC(=O)N1CCCC[C@@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001575227752 948833064 /nfs/dbraw/zinc/83/30/64/948833064.db2.gz ZKGMPYKDJPFDHQ-LLVKDONJSA-N -1 1 380.403 1.885 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CC[C@H]21 ZINC001575227652 948833438 /nfs/dbraw/zinc/83/34/38/948833438.db2.gz XSRPZUMPFULHMG-WCQYABFASA-N -1 1 392.414 1.519 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CC[C@H]21 ZINC001575227652 948833453 /nfs/dbraw/zinc/83/34/53/948833453.db2.gz XSRPZUMPFULHMG-WCQYABFASA-N -1 1 392.414 1.519 20 0 GDADMM CC(F)(F)CC(=O)N[C@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001575229636 948855404 /nfs/dbraw/zinc/85/54/04/948855404.db2.gz PAXLPIUKKUXIMC-LURJTMIESA-N -1 1 377.808 1.717 20 0 GDADMM CC(F)(F)CC(=O)N[C@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001575229636 948855424 /nfs/dbraw/zinc/85/54/24/948855424.db2.gz PAXLPIUKKUXIMC-LURJTMIESA-N -1 1 377.808 1.717 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573762360 948856792 /nfs/dbraw/zinc/85/67/92/948856792.db2.gz UOYAYIPWFUVAOD-ZDUSSCGKSA-N -1 1 384.488 1.555 20 0 GDADMM C[C@H](CNC(=O)CCCc1cccnc1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574919243 948873809 /nfs/dbraw/zinc/87/38/09/948873809.db2.gz XFJAPQAZQBOLNH-CYBMUJFWSA-N -1 1 381.444 1.016 20 0 GDADMM CC(F)(F)CC(=O)N[C@H]1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001575233475 948883490 /nfs/dbraw/zinc/88/34/90/948883490.db2.gz JELZVDJREILDFS-QWRGUYRKSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CC(=O)N[C@H]1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001575233475 948883513 /nfs/dbraw/zinc/88/35/13/948883513.db2.gz JELZVDJREILDFS-QWRGUYRKSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001575233489 948886901 /nfs/dbraw/zinc/88/69/01/948886901.db2.gz JLHGRKBFKPBWQN-FGWVZKOKSA-N -1 1 378.387 1.318 20 0 GDADMM CC(F)(F)CC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001575233489 948886919 /nfs/dbraw/zinc/88/69/19/948886919.db2.gz JLHGRKBFKPBWQN-FGWVZKOKSA-N -1 1 378.387 1.318 20 0 GDADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@H]1CCCOC1 ZINC001574684806 948888658 /nfs/dbraw/zinc/88/86/58/948888658.db2.gz MYTXRDLWLNRJEU-BDAKNGLRSA-N -1 1 385.881 1.710 20 0 GDADMM CC(F)(F)CC(=O)NC[C@@]1(C)CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575233794 948891105 /nfs/dbraw/zinc/89/11/05/948891105.db2.gz LVDSQMMAIQEAAC-OAHLLOKOSA-N -1 1 380.403 1.425 20 0 GDADMM CC(F)(F)CC(=O)NC[C@@]1(C)CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575233794 948891126 /nfs/dbraw/zinc/89/11/26/948891126.db2.gz LVDSQMMAIQEAAC-OAHLLOKOSA-N -1 1 380.403 1.425 20 0 GDADMM CC(C)(C(=O)N1CC[C@H]2[C@H](CCN2c2ccc(-c3nnn[n-]3)nn2)C1)C1CC1 ZINC001573764692 948894670 /nfs/dbraw/zinc/89/46/70/948894670.db2.gz QORXIFIQDHOGNM-DOMZBBRYSA-N -1 1 382.472 1.520 20 0 GDADMM CC(C)(C(=O)N1CC[C@H]2[C@H](CCN2c2ccc(-c3nn[n-]n3)nn2)C1)C1CC1 ZINC001573764692 948894687 /nfs/dbraw/zinc/89/46/87/948894687.db2.gz QORXIFIQDHOGNM-DOMZBBRYSA-N -1 1 382.472 1.520 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H]2[C@@H](CCN2c2cnc(-c3nnn[n-]3)cn2)C1)C(F)F ZINC001573765196 948901296 /nfs/dbraw/zinc/90/12/96/948901296.db2.gz WFIGZNBDGWLBID-CMPLNLGQSA-N -1 1 392.414 1.375 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H]2[C@@H](CCN2c2cnc(-c3nn[n-]n3)cn2)C1)C(F)F ZINC001573765196 948901313 /nfs/dbraw/zinc/90/13/13/948901313.db2.gz WFIGZNBDGWLBID-CMPLNLGQSA-N -1 1 392.414 1.375 20 0 GDADMM CC(C)c1ncc(C(=O)NCC[C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)s1 ZINC001574427391 948902779 /nfs/dbraw/zinc/90/27/79/948902779.db2.gz DQBLRDGBWAFKSY-JTQLQIEISA-N -1 1 387.473 1.279 20 0 GDADMM CC(C)c1ncc(C(=O)N(C)[C@@H](C)CNc2cncc(-c3nnn[n-]3)n2)s1 ZINC001574427299 948904952 /nfs/dbraw/zinc/90/49/52/948904952.db2.gz CAWLQIXQWOJIKL-JTQLQIEISA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)c1ncc(C(=O)N(C)[C@@H](C)CNc2cncc(-c3nn[n-]n3)n2)s1 ZINC001574427299 948904967 /nfs/dbraw/zinc/90/49/67/948904967.db2.gz CAWLQIXQWOJIKL-JTQLQIEISA-N -1 1 387.473 1.809 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001575234768 948905313 /nfs/dbraw/zinc/90/53/13/948905313.db2.gz DVJXXSZTIJFQSU-CMPLNLGQSA-N -1 1 378.387 1.129 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001575234768 948905324 /nfs/dbraw/zinc/90/53/24/948905324.db2.gz DVJXXSZTIJFQSU-CMPLNLGQSA-N -1 1 378.387 1.129 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@H]2C1 ZINC001575235489 948919617 /nfs/dbraw/zinc/91/96/17/948919617.db2.gz VSTLMTXNPRMREX-SDDRHHMPSA-N -1 1 392.414 1.423 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@@]2(C)C1)C(F)F ZINC001573765855 948926508 /nfs/dbraw/zinc/92/65/08/948926508.db2.gz NWYCTEUQYIUMCT-QGHHPUGFSA-N -1 1 392.414 1.233 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@]2(C)C1)C(F)F ZINC001573765855 948926516 /nfs/dbraw/zinc/92/65/16/948926516.db2.gz NWYCTEUQYIUMCT-QGHHPUGFSA-N -1 1 392.414 1.233 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)NC1(CNc2ccc(-c3nnn[n-]3)nn2)CCOCC1 ZINC001574088622 948930951 /nfs/dbraw/zinc/93/09/51/948930951.db2.gz BQPHFTBQBXIJNO-QWHCGFSZSA-N -1 1 386.460 1.026 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)NC1(CNc2ccc(-c3nn[n-]n3)nn2)CCOCC1 ZINC001574088622 948930966 /nfs/dbraw/zinc/93/09/66/948930966.db2.gz BQPHFTBQBXIJNO-QWHCGFSZSA-N -1 1 386.460 1.026 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC(CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575236053 948932063 /nfs/dbraw/zinc/93/20/63/948932063.db2.gz UCAZSCQLODUFJE-UHFFFAOYSA-N -1 1 380.403 1.743 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC(CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575236053 948932074 /nfs/dbraw/zinc/93/20/74/948932074.db2.gz UCAZSCQLODUFJE-UHFFFAOYSA-N -1 1 380.403 1.743 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC(C)(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001575236256 948938053 /nfs/dbraw/zinc/93/80/53/948938053.db2.gz YUMPQRDQRXKIGM-UHFFFAOYSA-N -1 1 380.403 1.885 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC(C)(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001575236256 948938062 /nfs/dbraw/zinc/93/80/62/948938062.db2.gz YUMPQRDQRXKIGM-UHFFFAOYSA-N -1 1 380.403 1.885 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574432738 948938574 /nfs/dbraw/zinc/93/85/74/948938574.db2.gz CMRRVGMORMIYPK-AOOOYVTPSA-N -1 1 385.457 1.610 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574432738 948938586 /nfs/dbraw/zinc/93/85/86/948938586.db2.gz CMRRVGMORMIYPK-AOOOYVTPSA-N -1 1 385.457 1.610 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1 ZINC001575237460 948948820 /nfs/dbraw/zinc/94/88/20/948948820.db2.gz GDDWYMKNPAHJLV-FOGDFJRCSA-N -1 1 378.387 1.318 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1 ZINC001575237460 948948826 /nfs/dbraw/zinc/94/88/26/948948826.db2.gz GDDWYMKNPAHJLV-FOGDFJRCSA-N -1 1 378.387 1.318 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)C(F)F ZINC001573772079 948951483 /nfs/dbraw/zinc/95/14/83/948951483.db2.gz QFOWWURMVFBWIM-ZJUUUORDSA-N -1 1 380.403 1.787 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)C(F)F ZINC001573772079 948951491 /nfs/dbraw/zinc/95/14/91/948951491.db2.gz QFOWWURMVFBWIM-ZJUUUORDSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001574688842 948973877 /nfs/dbraw/zinc/97/38/77/948973877.db2.gz AHAISBMGPNIEOS-IINYFYTJSA-N -1 1 382.403 1.442 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001574688842 948973889 /nfs/dbraw/zinc/97/38/89/948973889.db2.gz AHAISBMGPNIEOS-IINYFYTJSA-N -1 1 382.403 1.442 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)NCC[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574434157 948975053 /nfs/dbraw/zinc/97/50/53/948975053.db2.gz XXZPRQNRJIPJTD-NSHDSACASA-N -1 1 384.448 1.134 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)NCC[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574434157 948975061 /nfs/dbraw/zinc/97/50/61/948975061.db2.gz XXZPRQNRJIPJTD-NSHDSACASA-N -1 1 384.448 1.134 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)NCCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574091041 949000855 /nfs/dbraw/zinc/00/08/55/949000855.db2.gz MPJSWNIVPJXVMH-GJZGRUSLSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)NCCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574091041 949000874 /nfs/dbraw/zinc/00/08/74/949000874.db2.gz MPJSWNIVPJXVMH-GJZGRUSLSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)c1nnsc1C(=O)N(C)[C@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574439153 949001746 /nfs/dbraw/zinc/00/17/46/949001746.db2.gz BAWXJHSPXYEYCX-SECBINFHSA-N -1 1 388.461 1.204 20 0 GDADMM CC(C)c1nnsc1C(=O)N(C)[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574439153 949001755 /nfs/dbraw/zinc/00/17/55/949001755.db2.gz BAWXJHSPXYEYCX-SECBINFHSA-N -1 1 388.461 1.204 20 0 GDADMM CC(C)(C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CC1)C1CCOCC1 ZINC001573774674 949016333 /nfs/dbraw/zinc/01/63/33/949016333.db2.gz PZSQOMPGFOOHIJ-UHFFFAOYSA-N -1 1 386.460 1.170 20 0 GDADMM CC(C)(C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CC1)C1CCOCC1 ZINC001573774674 949016347 /nfs/dbraw/zinc/01/63/47/949016347.db2.gz PZSQOMPGFOOHIJ-UHFFFAOYSA-N -1 1 386.460 1.170 20 0 GDADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)N1CCC(CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574091668 949026668 /nfs/dbraw/zinc/02/66/68/949026668.db2.gz QAYPPIGQFKSWFA-AUUYWEPGSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)N1CCC(CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574091668 949026683 /nfs/dbraw/zinc/02/66/83/949026683.db2.gz QAYPPIGQFKSWFA-AUUYWEPGSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)c1cnns1 ZINC001574693424 949054171 /nfs/dbraw/zinc/05/41/71/949054171.db2.gz HHZBIOIRMJVVLN-RXMQYKEDSA-N -1 1 385.866 1.449 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)c1cnns1 ZINC001574693424 949054189 /nfs/dbraw/zinc/05/41/89/949054189.db2.gz HHZBIOIRMJVVLN-RXMQYKEDSA-N -1 1 385.866 1.449 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)c1cnns1 ZINC001574693426 949054287 /nfs/dbraw/zinc/05/42/87/949054287.db2.gz HHZBIOIRMJVVLN-YFKPBYRVSA-N -1 1 385.866 1.449 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)c1cnns1 ZINC001574693426 949054306 /nfs/dbraw/zinc/05/43/06/949054306.db2.gz HHZBIOIRMJVVLN-YFKPBYRVSA-N -1 1 385.866 1.449 20 0 GDADMM CC(C)[C@@]1(C)C[C@H]1C(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001574092449 949057976 /nfs/dbraw/zinc/05/79/76/949057976.db2.gz RYXLMMHCHSNDOA-SSHHRWTQSA-N -1 1 382.472 1.234 20 0 GDADMM CC(C)[C@@]1(C)C[C@H]1C(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001574092449 949057999 /nfs/dbraw/zinc/05/79/99/949057999.db2.gz RYXLMMHCHSNDOA-SSHHRWTQSA-N -1 1 382.472 1.234 20 0 GDADMM CC(C)[C@]1(C)C[C@H]1C(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001574092447 949060909 /nfs/dbraw/zinc/06/09/09/949060909.db2.gz RYXLMMHCHSNDOA-LJPSSGMGSA-N -1 1 382.472 1.234 20 0 GDADMM CC(C)[C@]1(C)C[C@H]1C(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001574092447 949060928 /nfs/dbraw/zinc/06/09/28/949060928.db2.gz RYXLMMHCHSNDOA-LJPSSGMGSA-N -1 1 382.472 1.234 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001574694596 949084193 /nfs/dbraw/zinc/08/41/93/949084193.db2.gz SGQFWAWZBDTOGB-HXFLIBJXSA-N -1 1 383.865 1.176 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001574694596 949084214 /nfs/dbraw/zinc/08/42/14/949084214.db2.gz SGQFWAWZBDTOGB-HXFLIBJXSA-N -1 1 383.865 1.176 20 0 GDADMM CC(C)(C(=O)NCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C(F)F ZINC001573780438 949092964 /nfs/dbraw/zinc/09/29/64/949092964.db2.gz ZLQMAHXTAVESMX-UHFFFAOYSA-N -1 1 380.403 1.281 20 0 GDADMM CC(C)(C(=O)NCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C(F)F ZINC001573780438 949092993 /nfs/dbraw/zinc/09/29/93/949092993.db2.gz ZLQMAHXTAVESMX-UHFFFAOYSA-N -1 1 380.403 1.281 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)C1CCCC1 ZINC001573780433 949094148 /nfs/dbraw/zinc/09/41/48/949094148.db2.gz ZAYGVLPGHGTTHT-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573780433 949094166 /nfs/dbraw/zinc/09/41/66/949094166.db2.gz ZAYGVLPGHGTTHT-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C(=O)NCCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C1CC1 ZINC001573781070 949100183 /nfs/dbraw/zinc/10/01/83/949100183.db2.gz AVPNKIPVNKUJTN-UHFFFAOYSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C(=O)NCCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C1CC1 ZINC001573781070 949100208 /nfs/dbraw/zinc/10/02/08/949100208.db2.gz AVPNKIPVNKUJTN-UHFFFAOYSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001574442703 949101018 /nfs/dbraw/zinc/10/10/18/949101018.db2.gz RCOYVNLYRWLRRZ-NSHDSACASA-N -1 1 383.416 1.024 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001574442703 949101025 /nfs/dbraw/zinc/10/10/25/949101025.db2.gz RCOYVNLYRWLRRZ-NSHDSACASA-N -1 1 383.416 1.024 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@H](C)CCNc1nccnc1-c1nnn[n-]1 ZINC001574695209 949104164 /nfs/dbraw/zinc/10/41/64/949104164.db2.gz FBIPBVBFDULSIP-SNVBAGLBSA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@H](C)CCNc1nccnc1-c1nn[n-]n1 ZINC001574695209 949104175 /nfs/dbraw/zinc/10/41/75/949104175.db2.gz FBIPBVBFDULSIP-SNVBAGLBSA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)(C(=O)NCC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CCC1 ZINC001573781604 949106626 /nfs/dbraw/zinc/10/66/26/949106626.db2.gz KATHFEUJPOIXLM-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C(=O)NCC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CCC1 ZINC001573781604 949106637 /nfs/dbraw/zinc/10/66/37/949106637.db2.gz KATHFEUJPOIXLM-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)COc1ccccc1F ZINC001574695616 949117357 /nfs/dbraw/zinc/11/73/57/949117357.db2.gz JFSWHZSIMYJZBL-NSHDSACASA-N -1 1 386.391 1.182 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)COc1ccccc1F ZINC001574695616 949117369 /nfs/dbraw/zinc/11/73/69/949117369.db2.gz JFSWHZSIMYJZBL-NSHDSACASA-N -1 1 386.391 1.182 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)C1=COCCO1 ZINC001574695619 949117689 /nfs/dbraw/zinc/11/76/89/949117689.db2.gz JHHVRCLJWHJDJE-SSDOTTSWSA-N -1 1 385.837 1.172 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)C1=COCCO1 ZINC001574695619 949117696 /nfs/dbraw/zinc/11/76/96/949117696.db2.gz JHHVRCLJWHJDJE-SSDOTTSWSA-N -1 1 385.837 1.172 20 0 GDADMM CC(C)(C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001573782528 949123579 /nfs/dbraw/zinc/12/35/79/949123579.db2.gz BRPSTWKHHSUAED-KYZUINATSA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)(C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001573782528 949123589 /nfs/dbraw/zinc/12/35/89/949123589.db2.gz BRPSTWKHHSUAED-KYZUINATSA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)c1occc1C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001574446183 949126173 /nfs/dbraw/zinc/12/61/73/949126173.db2.gz JLMFFCKCRMIGLZ-JYAVWHMHSA-N -1 1 380.412 1.238 20 0 GDADMM CC(C)c1occc1C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001574446183 949126188 /nfs/dbraw/zinc/12/61/88/949126188.db2.gz JLMFFCKCRMIGLZ-JYAVWHMHSA-N -1 1 380.412 1.238 20 0 GDADMM CC(C)[C@@H]1CCC[C@H](NC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC1 ZINC001574094129 949126614 /nfs/dbraw/zinc/12/66/14/949126614.db2.gz XRMWOHYGKZXLNO-OLZOCXBDSA-N -1 1 389.460 1.240 20 0 GDADMM CC(C)c1cc(C(=O)N[C@@H](C)CCNc2nccnc2-c2nnn[n-]2)nn1C ZINC001574696611 949132345 /nfs/dbraw/zinc/13/23/45/949132345.db2.gz SBQAJJQASMZWTQ-NSHDSACASA-N -1 1 384.448 1.134 20 0 GDADMM CC(C)c1cc(C(=O)N[C@@H](C)CCNc2nccnc2-c2nn[n-]n2)nn1C ZINC001574696611 949132358 /nfs/dbraw/zinc/13/23/58/949132358.db2.gz SBQAJJQASMZWTQ-NSHDSACASA-N -1 1 384.448 1.134 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)Cc1ccon1 ZINC001574696434 949133062 /nfs/dbraw/zinc/13/30/62/949133062.db2.gz QPHYTHIQXKQXDQ-SSDOTTSWSA-N -1 1 382.837 1.514 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)Cc1ccon1 ZINC001574696434 949133077 /nfs/dbraw/zinc/13/30/77/949133077.db2.gz QPHYTHIQXKQXDQ-SSDOTTSWSA-N -1 1 382.837 1.514 20 0 GDADMM CC(C)c1occc1C(=O)NCC1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574446454 949134822 /nfs/dbraw/zinc/13/48/22/949134822.db2.gz QKRIEVLQSGYGKD-UHFFFAOYSA-N -1 1 382.428 1.416 20 0 GDADMM C[C@H](CNC(=O)COC1CCCC1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574932396 949142090 /nfs/dbraw/zinc/14/20/90/949142090.db2.gz ZJNIZQUAHXPRLP-MRVPVSSYSA-N -1 1 385.881 1.852 20 0 GDADMM C[C@H](CNC(=O)COC1CCCC1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574932396 949142100 /nfs/dbraw/zinc/14/21/00/949142100.db2.gz ZJNIZQUAHXPRLP-MRVPVSSYSA-N -1 1 385.881 1.852 20 0 GDADMM C[C@H](CNC(=O)COc1ccc(Cl)cc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574934139 949152255 /nfs/dbraw/zinc/15/22/55/949152255.db2.gz CDCUIJPSXLECDB-SNVBAGLBSA-N -1 1 388.819 1.306 20 0 GDADMM C[C@H](CNC(=O)COc1ccc(Cl)cc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574934139 949152269 /nfs/dbraw/zinc/15/22/69/949152269.db2.gz CDCUIJPSXLECDB-SNVBAGLBSA-N -1 1 388.819 1.306 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574447278 949154429 /nfs/dbraw/zinc/15/44/29/949154429.db2.gz JPUSMZRTDAAQGO-LLVKDONJSA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574447278 949154438 /nfs/dbraw/zinc/15/44/38/949154438.db2.gz JPUSMZRTDAAQGO-LLVKDONJSA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1ocnc1C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCC1 ZINC001574447330 949157232 /nfs/dbraw/zinc/15/72/32/949157232.db2.gz LMPAZPSDNBFPNH-UHFFFAOYSA-N -1 1 383.416 1.533 20 0 GDADMM CC(C)c1ocnc1C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCC1 ZINC001574447330 949157244 /nfs/dbraw/zinc/15/72/44/949157244.db2.gz LMPAZPSDNBFPNH-UHFFFAOYSA-N -1 1 383.416 1.533 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1 ZINC001573787040 949164934 /nfs/dbraw/zinc/16/49/34/949164934.db2.gz KKSAYVLHCPCZNK-CTYIDZIISA-N -1 1 392.467 1.941 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1 ZINC001573787040 949164946 /nfs/dbraw/zinc/16/49/46/949164946.db2.gz KKSAYVLHCPCZNK-CTYIDZIISA-N -1 1 392.467 1.941 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)[C@H]1CCCCO1 ZINC001573787335 949175718 /nfs/dbraw/zinc/17/57/18/949175718.db2.gz UDQBEFZBMIWPGO-FRRDWIJNSA-N -1 1 386.460 1.311 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)[C@H]1CCCCO1 ZINC001573787335 949175732 /nfs/dbraw/zinc/17/57/32/949175732.db2.gz UDQBEFZBMIWPGO-FRRDWIJNSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@H](CNC(=O)COc1cccc(Cl)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574934865 949182562 /nfs/dbraw/zinc/18/25/62/949182562.db2.gz SYRZFSPWCGCPBP-SNVBAGLBSA-N -1 1 388.819 1.306 20 0 GDADMM C[C@H](CNC(=O)COc1cccc(Cl)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574934865 949182573 /nfs/dbraw/zinc/18/25/73/949182573.db2.gz SYRZFSPWCGCPBP-SNVBAGLBSA-N -1 1 388.819 1.306 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H](F)CC1CCCCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574698297 949183509 /nfs/dbraw/zinc/18/35/09/949183509.db2.gz IWMIEIXOGNVPQF-OCCSQVGLSA-N -1 1 390.467 1.646 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H](C)c1cccc(F)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574698315 949187003 /nfs/dbraw/zinc/18/70/03/949187003.db2.gz JAQQUILJIKKKSL-NEPJUHHUSA-N -1 1 384.419 1.280 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(Cl)s1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574935605 949198634 /nfs/dbraw/zinc/19/86/34/949198634.db2.gz DHLUKRVAGFLKMC-SECBINFHSA-N -1 1 392.876 1.779 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(Cl)s1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574935605 949198650 /nfs/dbraw/zinc/19/86/50/949198650.db2.gz DHLUKRVAGFLKMC-SECBINFHSA-N -1 1 392.876 1.779 20 0 GDADMM CC(C)c1oncc1C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001574451090 949209680 /nfs/dbraw/zinc/20/96/80/949209680.db2.gz BICZLYKDZYDACG-LLVKDONJSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1oncc1C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001574451090 949209701 /nfs/dbraw/zinc/20/97/01/949209701.db2.gz BICZLYKDZYDACG-LLVKDONJSA-N -1 1 383.416 1.167 20 0 GDADMM CC1(Nc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)c2cncc(F)c2)CC1 ZINC001575853387 949215251 /nfs/dbraw/zinc/21/52/51/949215251.db2.gz QXGFIYNSJZUGNH-UHFFFAOYSA-N -1 1 383.391 1.298 20 0 GDADMM CC1(Nc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)c2cncc(F)c2)CC1 ZINC001575853387 949215262 /nfs/dbraw/zinc/21/52/62/949215262.db2.gz QXGFIYNSJZUGNH-UHFFFAOYSA-N -1 1 383.391 1.298 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)CC(F)(F)F)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575255377 949233404 /nfs/dbraw/zinc/23/34/04/949233404.db2.gz ZQPFSVKDIALMNE-DTWKUNHWSA-N -1 1 386.382 1.940 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)CC(F)(F)F)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575255377 949233426 /nfs/dbraw/zinc/23/34/26/949233426.db2.gz ZQPFSVKDIALMNE-DTWKUNHWSA-N -1 1 386.382 1.940 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@H](Nc1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001574451447 949234973 /nfs/dbraw/zinc/23/49/73/949234973.db2.gz PRSKEKLQXWBOJB-LBPRGKRZSA-N -1 1 385.432 1.635 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@H](Nc1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001574451447 949234984 /nfs/dbraw/zinc/23/49/84/949234984.db2.gz PRSKEKLQXWBOJB-LBPRGKRZSA-N -1 1 385.432 1.635 20 0 GDADMM CC(C)(C)C(=O)N1CCC([C@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573792093 949235260 /nfs/dbraw/zinc/23/52/60/949235260.db2.gz KAWYXRBQYHNIBT-CQSZACIVSA-N -1 1 384.488 1.910 20 0 GDADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001575856130 949245345 /nfs/dbraw/zinc/24/53/45/949245345.db2.gz DERNQCDWUATZHN-UPJWGTAASA-N -1 1 384.444 1.017 20 0 GDADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001575856130 949245364 /nfs/dbraw/zinc/24/53/64/949245364.db2.gz DERNQCDWUATZHN-UPJWGTAASA-N -1 1 384.444 1.017 20 0 GDADMM C[C@@H](NC(=O)C1(CCF)CC1)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575256226 949245638 /nfs/dbraw/zinc/24/56/38/949245638.db2.gz UJMLPYGJQVABEJ-CHWSQXEVSA-N -1 1 388.451 1.518 20 0 GDADMM C[C@@H](NC(=O)C1(CCF)CC1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575256226 949245659 /nfs/dbraw/zinc/24/56/59/949245659.db2.gz UJMLPYGJQVABEJ-CHWSQXEVSA-N -1 1 388.451 1.518 20 0 GDADMM CC1(c2ccccc2C(=O)NCC2(Nc3ccnc(-c4nn[n-]n4)n3)CC2)CC1 ZINC001575856537 949249860 /nfs/dbraw/zinc/24/98/60/949249860.db2.gz GUOVZPSBHPHGKV-UHFFFAOYSA-N -1 1 390.451 1.505 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(Cl)c1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574940185 949252157 /nfs/dbraw/zinc/25/21/57/949252157.db2.gz ARPMBINPDJNBLG-NSHDSACASA-N -1 1 386.847 1.139 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc2c(c1)CCC2)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574940204 949257289 /nfs/dbraw/zinc/25/72/89/949257289.db2.gz BJXPYJKZJAFGQZ-CYBMUJFWSA-N -1 1 392.467 1.329 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc2c(c1)CCC2)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574940204 949257310 /nfs/dbraw/zinc/25/73/10/949257310.db2.gz BJXPYJKZJAFGQZ-CYBMUJFWSA-N -1 1 392.467 1.329 20 0 GDADMM CC(C)CC(=O)N1CCC([C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001574103585 949258224 /nfs/dbraw/zinc/25/82/24/949258224.db2.gz XOTRDMCULJXGTN-OAHLLOKOSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)CC(=O)N1CCC([C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001574103585 949258246 /nfs/dbraw/zinc/25/82/46/949258246.db2.gz XOTRDMCULJXGTN-OAHLLOKOSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc2c(c1)CCC2)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574940427 949263930 /nfs/dbraw/zinc/26/39/30/949263930.db2.gz FSJZMLYRHMKZPF-ZDUSSCGKSA-N -1 1 392.467 1.552 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc2c(c1)CCC2)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574940427 949263951 /nfs/dbraw/zinc/26/39/51/949263951.db2.gz FSJZMLYRHMKZPF-ZDUSSCGKSA-N -1 1 392.467 1.552 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(Cl)c1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574940566 949266846 /nfs/dbraw/zinc/26/68/46/949266846.db2.gz HDJJCHYSUCUWBR-LLVKDONJSA-N -1 1 386.847 1.717 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(Cl)c1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574940566 949266859 /nfs/dbraw/zinc/26/68/59/949266859.db2.gz HDJJCHYSUCUWBR-LLVKDONJSA-N -1 1 386.847 1.717 20 0 GDADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)CCC(F)(F)F)CC1 ZINC001575857531 949270636 /nfs/dbraw/zinc/27/06/36/949270636.db2.gz SKVCOUIUSDIPRU-UHFFFAOYSA-N -1 1 384.366 1.792 20 0 GDADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)CCC(F)(F)F)CC1 ZINC001575857531 949270655 /nfs/dbraw/zinc/27/06/55/949270655.db2.gz SKVCOUIUSDIPRU-UHFFFAOYSA-N -1 1 384.366 1.792 20 0 GDADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)[C@H]2Cc3ccccc32)CC1 ZINC001575857709 949272184 /nfs/dbraw/zinc/27/21/84/949272184.db2.gz UCXXDCDBWAANOE-HNNXBMFYSA-N -1 1 390.451 1.790 20 0 GDADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)[C@H]2Cc3ccccc32)CC1 ZINC001575857709 949272211 /nfs/dbraw/zinc/27/22/11/949272211.db2.gz UCXXDCDBWAANOE-HNNXBMFYSA-N -1 1 390.451 1.790 20 0 GDADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)c2ccc(Cl)[nH]2)CC1 ZINC001575857707 949273009 /nfs/dbraw/zinc/27/30/09/949273009.db2.gz UCJHSNJGBPSFKW-UHFFFAOYSA-N -1 1 387.835 1.745 20 0 GDADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)c2ccc(Cl)[nH]2)CC1 ZINC001575857707 949273026 /nfs/dbraw/zinc/27/30/26/949273026.db2.gz UCJHSNJGBPSFKW-UHFFFAOYSA-N -1 1 387.835 1.745 20 0 GDADMM CC1(c2ccccc2C(=O)N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)CC1 ZINC001575858021 949284238 /nfs/dbraw/zinc/28/42/38/949284238.db2.gz YNBGCVLPPODGQE-UHFFFAOYSA-N -1 1 390.451 1.671 20 0 GDADMM CC1(c2ccccc2C(=O)N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)CC1 ZINC001575858021 949284253 /nfs/dbraw/zinc/28/42/53/949284253.db2.gz YNBGCVLPPODGQE-UHFFFAOYSA-N -1 1 390.451 1.671 20 0 GDADMM C[C@H](CNC(=O)Cc1ccon1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574941425 949307072 /nfs/dbraw/zinc/30/70/72/949307072.db2.gz DGRSRROCFYLKIT-SSDOTTSWSA-N -1 1 382.837 1.148 20 0 GDADMM C[C@H](CNC(=O)Cc1ccon1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574941425 949307095 /nfs/dbraw/zinc/30/70/95/949307095.db2.gz DGRSRROCFYLKIT-SSDOTTSWSA-N -1 1 382.837 1.148 20 0 GDADMM C[C@@H](CN(C)C(=O)C1(c2ccccc2)CC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574703086 949310039 /nfs/dbraw/zinc/31/00/39/949310039.db2.gz QMIVNRRDWRPAIB-ZDUSSCGKSA-N -1 1 378.440 1.647 20 0 GDADMM C[C@@H](CN(C)C(=O)C1(c2ccccc2)CC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574703086 949310065 /nfs/dbraw/zinc/31/00/65/949310065.db2.gz QMIVNRRDWRPAIB-ZDUSSCGKSA-N -1 1 378.440 1.647 20 0 GDADMM CC(C)CC(=O)N1CCC[C@@H]([C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001574108960 949310146 /nfs/dbraw/zinc/31/01/46/949310146.db2.gz SONOCWNGWVIYRN-HUUCEWRRSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)CC(=O)N1CCC[C@@H]([C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001574108960 949310150 /nfs/dbraw/zinc/31/01/50/949310150.db2.gz SONOCWNGWVIYRN-HUUCEWRRSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@]1(C)CCOC1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574703074 949310562 /nfs/dbraw/zinc/31/05/62/949310562.db2.gz QHINWJXPHXFHAB-RMLUDKJBSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@]1(C)CCc2ccccc21)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574703157 949311606 /nfs/dbraw/zinc/31/16/06/949311606.db2.gz SBIARSOYHDVCEP-XCLFUZPHSA-N -1 1 392.467 1.820 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@]1(C)CCc2ccccc21)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574703157 949311633 /nfs/dbraw/zinc/31/16/33/949311633.db2.gz SBIARSOYHDVCEP-XCLFUZPHSA-N -1 1 392.467 1.820 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@]1(C)CCc2ccccc21)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574703156 949313099 /nfs/dbraw/zinc/31/30/99/949313099.db2.gz SBIARSOYHDVCEP-RNODOKPDSA-N -1 1 392.467 1.820 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@]1(C)CCc2ccccc21)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574703156 949313121 /nfs/dbraw/zinc/31/31/21/949313121.db2.gz SBIARSOYHDVCEP-RNODOKPDSA-N -1 1 392.467 1.820 20 0 GDADMM C[C@@H](CN(C)C(=O)C1(Cc2ccccc2)CC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574703256 949319494 /nfs/dbraw/zinc/31/94/94/949319494.db2.gz TVFMFOZBZGWDCK-AWEZNQCLSA-N -1 1 392.467 1.938 20 0 GDADMM C[C@@H](CN(C)C(=O)C1(Cc2ccccc2)CC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574703256 949319517 /nfs/dbraw/zinc/31/95/17/949319517.db2.gz TVFMFOZBZGWDCK-AWEZNQCLSA-N -1 1 392.467 1.938 20 0 GDADMM C[C@@H](NC(=O)C1=COCCC1)[C@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001575259190 949323482 /nfs/dbraw/zinc/32/34/82/949323482.db2.gz NMQWPECRKMHULE-SFYZADRCSA-N -1 1 383.865 1.976 20 0 GDADMM C[C@@H](NC(=O)C1=COCCC1)[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575259190 949323502 /nfs/dbraw/zinc/32/35/02/949323502.db2.gz NMQWPECRKMHULE-SFYZADRCSA-N -1 1 383.865 1.976 20 0 GDADMM CC(C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574109681 949327774 /nfs/dbraw/zinc/32/77/74/949327774.db2.gz ACZVHSNHWXWYRH-MWLCHTKSSA-N -1 1 384.366 1.504 20 0 GDADMM CC(C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574109681 949327793 /nfs/dbraw/zinc/32/77/93/949327793.db2.gz ACZVHSNHWXWYRH-MWLCHTKSSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@]1(C)CCc2ccccc21)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574703400 949329846 /nfs/dbraw/zinc/32/98/46/949329846.db2.gz VRKLBBCGZFHIBI-RNODOKPDSA-N -1 1 392.467 1.820 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@]1(C)CCc2ccccc21)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574703400 949329868 /nfs/dbraw/zinc/32/98/68/949329868.db2.gz VRKLBBCGZFHIBI-RNODOKPDSA-N -1 1 392.467 1.820 20 0 GDADMM CC(C)n1ccc(C(=O)NC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C2CC2)n1 ZINC001574458114 949336034 /nfs/dbraw/zinc/33/60/34/949336034.db2.gz PHJIYUKCJJGORP-CYBMUJFWSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1ccc(C(=O)NC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C2CC2)n1 ZINC001574458114 949336057 /nfs/dbraw/zinc/33/60/57/949336057.db2.gz PHJIYUKCJJGORP-CYBMUJFWSA-N -1 1 382.432 1.055 20 0 GDADMM CC1=C(C)C[C@@H](C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)CC1 ZINC001575862099 949337037 /nfs/dbraw/zinc/33/70/37/949337037.db2.gz XFWUFLAZPGXKBV-SZOQZIPDSA-N -1 1 380.456 1.344 20 0 GDADMM CC1=C(C)C[C@@H](C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]32)CC1 ZINC001575862099 949337060 /nfs/dbraw/zinc/33/70/60/949337060.db2.gz XFWUFLAZPGXKBV-SZOQZIPDSA-N -1 1 380.456 1.344 20 0 GDADMM C[C@@H](CN(C)C(=O)C1(c2cccnc2)CC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574703922 949356851 /nfs/dbraw/zinc/35/68/51/949356851.db2.gz HTYHQJXALWNTTL-LBPRGKRZSA-N -1 1 379.428 1.042 20 0 GDADMM C[C@@H](CN(C)C(=O)C1(c2cccnc2)CC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574703922 949356870 /nfs/dbraw/zinc/35/68/70/949356870.db2.gz HTYHQJXALWNTTL-LBPRGKRZSA-N -1 1 379.428 1.042 20 0 GDADMM C[C@@H]1CCC[C@@H]1CC(=O)NCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001576154850 949364452 /nfs/dbraw/zinc/36/44/52/949364452.db2.gz FUNDBTGRSMMTCP-UKRRQHHQSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H]1CCC[C@@H]1CC(=O)NCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001576154850 949364475 /nfs/dbraw/zinc/36/44/75/949364475.db2.gz FUNDBTGRSMMTCP-UKRRQHHQSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](NC(=O)CC(C)(F)F)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575262438 949372627 /nfs/dbraw/zinc/37/26/27/949372627.db2.gz AJISXZZATGUHLK-MNOVXSKESA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](NC(=O)CC(C)(F)F)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575262438 949372646 /nfs/dbraw/zinc/37/26/46/949372646.db2.gz AJISXZZATGUHLK-MNOVXSKESA-N -1 1 380.403 1.423 20 0 GDADMM CC1(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC001575527721 949377218 /nfs/dbraw/zinc/37/72/18/949377218.db2.gz GHEXOUIJSOUEAT-DTORHVGOSA-N -1 1 379.877 1.956 20 0 GDADMM CC1(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC001575527721 949377234 /nfs/dbraw/zinc/37/72/34/949377234.db2.gz GHEXOUIJSOUEAT-DTORHVGOSA-N -1 1 379.877 1.956 20 0 GDADMM C[C@H](NC(=O)C1Cc2ccccc2C1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575262886 949383004 /nfs/dbraw/zinc/38/30/04/949383004.db2.gz CVDCDKSCCZEZLU-RYUDHWBXSA-N -1 1 378.440 1.377 20 0 GDADMM C[C@H](NC(=O)C1Cc2ccccc2C1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575262886 949383028 /nfs/dbraw/zinc/38/30/28/949383028.db2.gz CVDCDKSCCZEZLU-RYUDHWBXSA-N -1 1 378.440 1.377 20 0 GDADMM C[C@H]1CCC[C@@H](C(=O)NCC2(O)CN(Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001576155128 949385053 /nfs/dbraw/zinc/38/50/53/949385053.db2.gz SZRYFAQIQWVYHA-QWHCGFSZSA-N -1 1 390.513 1.417 20 0 GDADMM C[C@@H]1CCC[C@@]1(C)C(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001576155269 949390384 /nfs/dbraw/zinc/39/03/84/949390384.db2.gz UJTGXAJKHGTURT-VYGYDYRJSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H]1CCC[C@@]1(C)C(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001576155269 949390402 /nfs/dbraw/zinc/39/04/02/949390402.db2.gz UJTGXAJKHGTURT-VYGYDYRJSA-N -1 1 382.472 1.378 20 0 GDADMM CC(C)n1cnc(C(=O)NCC2CC(Nc3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001574463985 949393635 /nfs/dbraw/zinc/39/36/35/949393635.db2.gz DNNQNMPEPFHJTI-UHFFFAOYSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cnc(C(=O)NCC2CC(Nc3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001574463985 949393658 /nfs/dbraw/zinc/39/36/58/949393658.db2.gz DNNQNMPEPFHJTI-UHFFFAOYSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cnc(C(=O)N2C[C@@H](C)[C@H](Nc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001574464138 949395695 /nfs/dbraw/zinc/39/56/95/949395695.db2.gz GQDGKTSFZBBMLU-VXGBXAGGSA-N -1 1 382.432 1.007 20 0 GDADMM CC(C)n1cnc(C(=O)N2C[C@@H](C)[C@H](Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001574464138 949395715 /nfs/dbraw/zinc/39/57/15/949395715.db2.gz GQDGKTSFZBBMLU-VXGBXAGGSA-N -1 1 382.432 1.007 20 0 GDADMM C[C@@H](CN(C)C(=O)C1=CCOCC1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574705021 949412134 /nfs/dbraw/zinc/41/21/34/949412134.db2.gz QRPKTAOSVBBTEO-QMMMGPOBSA-N -1 1 383.865 1.582 20 0 GDADMM C[C@H]1CCC[C@H]1CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001576155612 949415630 /nfs/dbraw/zinc/41/56/30/949415630.db2.gz JKUWUUNYVDMWGH-ZQDZILKHSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H]1CCC[C@H]1CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001576155612 949415641 /nfs/dbraw/zinc/41/56/41/949415641.db2.gz JKUWUUNYVDMWGH-ZQDZILKHSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](NC(=O)CC(C)(F)F)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575264137 949417666 /nfs/dbraw/zinc/41/76/66/949417666.db2.gz LWNNTWFOKZEEMS-WDEREUQCSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1CCCCC1(F)F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574705329 949422603 /nfs/dbraw/zinc/42/26/03/949422603.db2.gz IBCWHGVUVMJVBZ-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1CCCCC1(F)F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574705329 949422608 /nfs/dbraw/zinc/42/26/08/949422608.db2.gz IBCWHGVUVMJVBZ-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNC(=O)Cc1cncs1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574945983 949424093 /nfs/dbraw/zinc/42/40/93/949424093.db2.gz QYCXJSOGWMPGAA-LURJTMIESA-N -1 1 384.878 1.592 20 0 GDADMM C[C@@H](CNC(=O)Cc1cncs1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574945983 949424110 /nfs/dbraw/zinc/42/41/10/949424110.db2.gz QYCXJSOGWMPGAA-LURJTMIESA-N -1 1 384.878 1.592 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2(C(C)(F)F)CC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575866969 949425676 /nfs/dbraw/zinc/42/56/76/949425676.db2.gz ISXHPEXDRRCQHT-WDEREUQCSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2(C(C)(F)F)CC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575866969 949425685 /nfs/dbraw/zinc/42/56/85/949425685.db2.gz ISXHPEXDRRCQHT-WDEREUQCSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H](CNC(=O)Cc1cnoc1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574946577 949432353 /nfs/dbraw/zinc/43/23/53/949432353.db2.gz VTIZRPNKZQJLDO-SSDOTTSWSA-N -1 1 382.837 1.148 20 0 GDADMM CC1(C(=O)N2CC[C@H](CCNc3ccc(-c4nnn[n-]4)nn3)C2)CCOCC1 ZINC001575534600 949432837 /nfs/dbraw/zinc/43/28/37/949432837.db2.gz OYUMBKKZVZHFJI-ZDUSSCGKSA-N -1 1 386.460 1.124 20 0 GDADMM CC1(C(=O)N2CC[C@H](CCNc3ccc(-c4nn[n-]n4)nn3)C2)CCOCC1 ZINC001575534600 949432847 /nfs/dbraw/zinc/43/28/47/949432847.db2.gz OYUMBKKZVZHFJI-ZDUSSCGKSA-N -1 1 386.460 1.124 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001574465177 949433173 /nfs/dbraw/zinc/43/31/73/949433173.db2.gz RNKNHFWFHZZIHK-CYBMUJFWSA-N -1 1 381.444 1.438 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001574465177 949433192 /nfs/dbraw/zinc/43/31/92/949433192.db2.gz RNKNHFWFHZZIHK-CYBMUJFWSA-N -1 1 381.444 1.438 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001574465191 949434455 /nfs/dbraw/zinc/43/44/55/949434455.db2.gz SBEGQYNTFAFUFX-JOCQHMNTSA-N -1 1 381.444 1.660 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001574465191 949434468 /nfs/dbraw/zinc/43/44/68/949434468.db2.gz SBEGQYNTFAFUFX-JOCQHMNTSA-N -1 1 381.444 1.660 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2(C(F)F)CC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575867328 949434939 /nfs/dbraw/zinc/43/49/39/949434939.db2.gz JFQHPTPODUOZFI-NXEZZACHSA-N -1 1 378.387 1.176 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2(C(F)F)CC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575867328 949434955 /nfs/dbraw/zinc/43/49/55/949434955.db2.gz JFQHPTPODUOZFI-NXEZZACHSA-N -1 1 378.387 1.176 20 0 GDADMM CC1(C(=O)N2CCC([C@H]3CCN(c4cnc(-c5nnn[n-]5)cn4)C3)CC2)CC1 ZINC001575534845 949437119 /nfs/dbraw/zinc/43/71/19/949437119.db2.gz QSHHSZPEQZTXER-AWEZNQCLSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C(=O)N2CCC([C@H]3CCN(c4cnc(-c5nn[n-]n5)cn4)C3)CC2)CC1 ZINC001575534845 949437129 /nfs/dbraw/zinc/43/71/29/949437129.db2.gz QSHHSZPEQZTXER-AWEZNQCLSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@]1(C(=O)N2CCC(CNc3ccc(-c4nnn[n-]4)nn3)CC2)CCCOC1 ZINC001575535419 949446644 /nfs/dbraw/zinc/44/66/44/949446644.db2.gz WYFPKCQWINUAHL-GOSISDBHSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@@]1(C(=O)N2CCC(CNc3ccc(-c4nn[n-]n4)nn3)CC2)CCCOC1 ZINC001575535419 949446658 /nfs/dbraw/zinc/44/66/58/949446658.db2.gz WYFPKCQWINUAHL-GOSISDBHSA-N -1 1 386.460 1.124 20 0 GDADMM CC(C)CC(=O)NC[C@@H]1Cc2ccccc2CN1c1cncc(-c2nnn[n-]2)n1 ZINC001574118477 949492061 /nfs/dbraw/zinc/49/20/61/949492061.db2.gz GMGRKEKKHBYQQP-INIZCTEOSA-N -1 1 392.467 1.750 20 0 GDADMM CC(C)CC(=O)NC[C@@H]1Cc2ccccc2CN1c1cncc(-c2nn[n-]n2)n1 ZINC001574118477 949492069 /nfs/dbraw/zinc/49/20/69/949492069.db2.gz GMGRKEKKHBYQQP-INIZCTEOSA-N -1 1 392.467 1.750 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001574470380 949498097 /nfs/dbraw/zinc/49/80/97/949498097.db2.gz BVWRMMGRFMYHQQ-KBPBESRZSA-N -1 1 380.456 1.531 20 0 GDADMM C[C@@H]1CCC[C@H]1CC(=O)N1CCC(N(C)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576158836 949505691 /nfs/dbraw/zinc/50/56/91/949505691.db2.gz VAJSFDIWFRFIDY-KGLIPLIRSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccc[nH]1 ZINC001576158849 949507212 /nfs/dbraw/zinc/50/72/12/949507212.db2.gz VCBSZJOUFDQLMC-SGTLLEGYSA-N -1 1 381.444 1.776 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccc[nH]1 ZINC001576158849 949507229 /nfs/dbraw/zinc/50/72/29/949507229.db2.gz VCBSZJOUFDQLMC-SGTLLEGYSA-N -1 1 381.444 1.776 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1COc2ccccc21)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574711095 949524385 /nfs/dbraw/zinc/52/43/85/949524385.db2.gz DCBUYROFLFXOJN-WCQYABFASA-N -1 1 380.412 1.092 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1COc2ccccc21)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574711095 949524399 /nfs/dbraw/zinc/52/43/99/949524399.db2.gz DCBUYROFLFXOJN-WCQYABFASA-N -1 1 380.412 1.092 20 0 GDADMM C[C@H]1[C@H](NC(=O)CC2CC(C)(C)C2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575872018 949528243 /nfs/dbraw/zinc/52/82/43/949528243.db2.gz FGNUFILECLMWPV-GXTWGEPZSA-N -1 1 384.488 1.957 20 0 GDADMM CC1(C(=O)N2CCC[C@H]([C@H]3CCN(c4ccnc(-c5nn[n-]n5)n4)C3)C2)CC1 ZINC001575539049 949535365 /nfs/dbraw/zinc/53/53/65/949535365.db2.gz LWAFUUHEVAGSMD-KBPBESRZSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@]1(C(=O)N2CCC[C@H](CCNc3ccc(-c4nnn[n-]4)nn3)C2)CCOC1 ZINC001575539772 949558832 /nfs/dbraw/zinc/55/88/32/949558832.db2.gz STCWJTCSBVXYGO-FZKQIMNGSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@@]1(C(=O)N2CCC[C@H](CCNc3ccc(-c4nn[n-]n4)nn3)C2)CCOC1 ZINC001575539772 949558847 /nfs/dbraw/zinc/55/88/47/949558847.db2.gz STCWJTCSBVXYGO-FZKQIMNGSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2(F)CCCC2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576166418 949578372 /nfs/dbraw/zinc/57/83/72/949578372.db2.gz LNYYOZQKEXTDGU-OLZOCXBDSA-N -1 1 388.451 1.400 20 0 GDADMM CC1(C(=O)N2CCC[C@@H]3[C@H]2CCN3c2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001575545652 949599823 /nfs/dbraw/zinc/59/98/23/949599823.db2.gz MUPDARMAOLKGQI-ZIAGYGMSSA-N -1 1 382.472 1.807 20 0 GDADMM C[C@@H](CC(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1)c1ccccc1F ZINC001574476469 949603198 /nfs/dbraw/zinc/60/31/98/949603198.db2.gz CXWAZHAKYYFFLM-LBPRGKRZSA-N -1 1 384.419 1.860 20 0 GDADMM C[C@@H](CC(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1)c1ccccc1F ZINC001574476469 949603206 /nfs/dbraw/zinc/60/32/06/949603206.db2.gz CXWAZHAKYYFFLM-LBPRGKRZSA-N -1 1 384.419 1.860 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2CCC=CCC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575874544 949615688 /nfs/dbraw/zinc/61/56/88/949615688.db2.gz STRVVCYDIHZJNV-ZFWWWQNUSA-N -1 1 382.472 1.877 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2CCC=CCC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575874544 949615701 /nfs/dbraw/zinc/61/57/01/949615701.db2.gz STRVVCYDIHZJNV-ZFWWWQNUSA-N -1 1 382.472 1.877 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574957757 949632641 /nfs/dbraw/zinc/63/26/41/949632641.db2.gz HPZMUTWYWOJVBG-IAMHBRQHSA-N -1 1 392.467 1.575 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574957757 949632654 /nfs/dbraw/zinc/63/26/54/949632654.db2.gz HPZMUTWYWOJVBG-IAMHBRQHSA-N -1 1 392.467 1.575 20 0 GDADMM C[C@@H](CC(=O)N(C)CCCN(C)c1nccnc1-c1nnn[n-]1)c1ccco1 ZINC001574477030 949633428 /nfs/dbraw/zinc/63/34/28/949633428.db2.gz NFDDQIFMVVHRRG-ZDUSSCGKSA-N -1 1 384.444 1.728 20 0 GDADMM C[C@@H](CC(=O)N(C)CCCN(C)c1nccnc1-c1nn[n-]n1)c1ccco1 ZINC001574477030 949633440 /nfs/dbraw/zinc/63/34/40/949633440.db2.gz NFDDQIFMVVHRRG-ZDUSSCGKSA-N -1 1 384.444 1.728 20 0 GDADMM C[C@H]1CCCC[C@@H]1C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001576168348 949635212 /nfs/dbraw/zinc/63/52/12/949635212.db2.gz GMQBBROWXRTITC-JSGCOSHPSA-N -1 1 390.513 1.417 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)NC[C@@H](C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574957962 949641264 /nfs/dbraw/zinc/64/12/64/949641264.db2.gz KBHGPULCLCDLPY-ZIAGYGMSSA-N -1 1 380.456 1.476 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)NC[C@@H](C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574957962 949641275 /nfs/dbraw/zinc/64/12/75/949641275.db2.gz KBHGPULCLCDLPY-ZIAGYGMSSA-N -1 1 380.456 1.476 20 0 GDADMM CC1(C(=O)N2CCO[C@H](CNc3snc(Cl)c3-c3nnn[n-]3)C2)CC1 ZINC001575547980 949652985 /nfs/dbraw/zinc/65/29/85/949652985.db2.gz LJNBIITVQXIXLP-MRVPVSSYSA-N -1 1 383.865 1.416 20 0 GDADMM CC1(C(=O)N2CCO[C@H](CNc3snc(Cl)c3-c3nn[n-]n3)C2)CC1 ZINC001575547980 949652997 /nfs/dbraw/zinc/65/29/97/949652997.db2.gz LJNBIITVQXIXLP-MRVPVSSYSA-N -1 1 383.865 1.416 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@H]1CCCCO1 ZINC001573815879 949660638 /nfs/dbraw/zinc/66/06/38/949660638.db2.gz LDQIUHRVNMQUKF-TZMCWYRMSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@H]1CCCCO1 ZINC001573815879 949660652 /nfs/dbraw/zinc/66/06/52/949660652.db2.gz LDQIUHRVNMQUKF-TZMCWYRMSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001574477531 949661606 /nfs/dbraw/zinc/66/16/06/949661606.db2.gz RZNQYNOTJLQSRR-UONOGXRCSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001574477531 949661619 /nfs/dbraw/zinc/66/16/19/949661619.db2.gz RZNQYNOTJLQSRR-UONOGXRCSA-N -1 1 381.444 1.147 20 0 GDADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C(C)(C)C(F)F ZINC001573815977 949667960 /nfs/dbraw/zinc/66/79/60/949667960.db2.gz NBZLGUBZTXLMRH-VIFPVBQESA-N -1 1 382.419 1.313 20 0 GDADMM C[C@H](CC(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001574477629 949671993 /nfs/dbraw/zinc/67/19/93/949671993.db2.gz SUAQZHKZLGHCPL-CHWSQXEVSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@H](CC(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001574477629 949672006 /nfs/dbraw/zinc/67/20/06/949672006.db2.gz SUAQZHKZLGHCPL-CHWSQXEVSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@H](CC(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)nn1)n1cccc1 ZINC001574477834 949678085 /nfs/dbraw/zinc/67/80/85/949678085.db2.gz VHWWTWCHVIPMGP-CQSZACIVSA-N -1 1 383.460 1.394 20 0 GDADMM C[C@H](CC(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)nn1)n1cccc1 ZINC001574477834 949678096 /nfs/dbraw/zinc/67/80/96/949678096.db2.gz VHWWTWCHVIPMGP-CQSZACIVSA-N -1 1 383.460 1.394 20 0 GDADMM C[C@@H](CNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574958593 949682061 /nfs/dbraw/zinc/68/20/61/949682061.db2.gz TYRSTSXUSHMREF-AGKSTNPPSA-N -1 1 392.467 1.791 20 0 GDADMM C[C@@H](CNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574958593 949682072 /nfs/dbraw/zinc/68/20/72/949682072.db2.gz TYRSTSXUSHMREF-AGKSTNPPSA-N -1 1 392.467 1.791 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574958802 949695829 /nfs/dbraw/zinc/69/58/29/949695829.db2.gz NNYFMADLAHWMJZ-VHDGCEQUSA-N -1 1 378.440 1.625 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574958802 949695838 /nfs/dbraw/zinc/69/58/38/949695838.db2.gz NNYFMADLAHWMJZ-VHDGCEQUSA-N -1 1 378.440 1.625 20 0 GDADMM CC1(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nnn[n-]3)nn2)CCCCCC1 ZINC001575554323 949698255 /nfs/dbraw/zinc/69/82/55/949698255.db2.gz RNNOEIAIQHQDFO-KBPBESRZSA-N -1 1 382.472 1.807 20 0 GDADMM CC1(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nn[n-]n3)nn2)CCCCCC1 ZINC001575554323 949698269 /nfs/dbraw/zinc/69/82/69/949698269.db2.gz RNNOEIAIQHQDFO-KBPBESRZSA-N -1 1 382.472 1.807 20 0 GDADMM C[C@H](CN(C)C(=O)CC1(O)CCC1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574716673 949700281 /nfs/dbraw/zinc/70/02/81/949700281.db2.gz POAAXHBXFNDPNA-MRVPVSSYSA-N -1 1 385.881 1.541 20 0 GDADMM C[C@H](CN(C)C(=O)CC1(O)CCC1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574716673 949700294 /nfs/dbraw/zinc/70/02/94/949700294.db2.gz POAAXHBXFNDPNA-MRVPVSSYSA-N -1 1 385.881 1.541 20 0 GDADMM C[C@H](CN(C)C(=O)CC[C@@H]1CC(C)(C)CO1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574716905 949714650 /nfs/dbraw/zinc/71/46/50/949714650.db2.gz MPGLXWDFOFKCLW-CHWSQXEVSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CN(C)C(=O)CC[C@@H]1CC(C)(C)CO1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574716905 949714662 /nfs/dbraw/zinc/71/46/62/949714662.db2.gz MPGLXWDFOFKCLW-CHWSQXEVSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001574478574 949715290 /nfs/dbraw/zinc/71/52/90/949715290.db2.gz ZBNKAXWUGBRJIA-AEGPPILISA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001574478574 949715324 /nfs/dbraw/zinc/71/53/24/949715324.db2.gz ZBNKAXWUGBRJIA-AEGPPILISA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CCC(F)(F)F)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575881587 949728208 /nfs/dbraw/zinc/72/82/08/949728208.db2.gz ZKYZFLCDBJUKDS-NXEZZACHSA-N -1 1 384.366 1.473 20 0 GDADMM C[C@H](CN(C)C(=O)CCCC1CCOCC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574717343 949731208 /nfs/dbraw/zinc/73/12/08/949731208.db2.gz PDLUVOWWFPXAJR-CYBMUJFWSA-N -1 1 388.476 1.512 20 0 GDADMM C[C@H](CN(C)C(=O)CCCC1CCOCC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574717343 949731221 /nfs/dbraw/zinc/73/12/21/949731221.db2.gz PDLUVOWWFPXAJR-CYBMUJFWSA-N -1 1 388.476 1.512 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1)C1CC1 ZINC001574479284 949734767 /nfs/dbraw/zinc/73/47/67/949734767.db2.gz DFLWRPACFIRBEH-DJJJIMSYSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1)C1CC1 ZINC001574479284 949734783 /nfs/dbraw/zinc/73/47/83/949734783.db2.gz DFLWRPACFIRBEH-DJJJIMSYSA-N -1 1 382.472 1.522 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cc1cccs1 ZINC001573818535 949737747 /nfs/dbraw/zinc/73/77/47/949737747.db2.gz NINPJFPOTRREOC-CYBMUJFWSA-N -1 1 386.485 1.904 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cc1cccs1 ZINC001573818535 949737765 /nfs/dbraw/zinc/73/77/65/949737765.db2.gz NINPJFPOTRREOC-CYBMUJFWSA-N -1 1 386.485 1.904 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001574479725 949742272 /nfs/dbraw/zinc/74/22/72/949742272.db2.gz GHPGQHMNGIUHIC-VHSXEESVSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001574479725 949742297 /nfs/dbraw/zinc/74/22/97/949742297.db2.gz GHPGQHMNGIUHIC-VHSXEESVSA-N -1 1 384.366 1.506 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001574136699 949747423 /nfs/dbraw/zinc/74/74/23/949747423.db2.gz PTXYVAXDJZBRIX-SOUVJXGZSA-N -1 1 384.488 1.909 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001574136699 949747437 /nfs/dbraw/zinc/74/74/37/949747437.db2.gz PTXYVAXDJZBRIX-SOUVJXGZSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@H]1[C@@H](NC(=O)Cc2cccs2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575882032 949747447 /nfs/dbraw/zinc/74/74/47/949747447.db2.gz FRMWKBVFPAZEOY-AAEUAGOBSA-N -1 1 384.469 1.434 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001574480869 949756143 /nfs/dbraw/zinc/75/61/43/949756143.db2.gz KUKGEVGCFJEKHX-ZIAGYGMSSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574480869 949756161 /nfs/dbraw/zinc/75/61/61/949756161.db2.gz KUKGEVGCFJEKHX-ZIAGYGMSSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@H]1CCCN(C(=O)Cc2ccc[nH]2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576171340 949757503 /nfs/dbraw/zinc/75/75/03/949757503.db2.gz QKWPOVKBTJWPSR-SWLSCSKDSA-N -1 1 381.444 1.267 20 0 GDADMM C[C@H]1CCCN(C(=O)Cc2ccc[nH]2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576171340 949757517 /nfs/dbraw/zinc/75/75/17/949757517.db2.gz QKWPOVKBTJWPSR-SWLSCSKDSA-N -1 1 381.444 1.267 20 0 GDADMM C[C@@H](CNC(=O)[C@H]1CC[C@H](C2CCC2)CC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574963767 949759775 /nfs/dbraw/zinc/75/97/75/949759775.db2.gz MTMCGSFNSQYWRK-QEJZJMRPSA-N -1 1 384.488 1.602 20 0 GDADMM C[C@H]1CCCC[C@@H]1CC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001576171413 949764313 /nfs/dbraw/zinc/76/43/13/949764313.db2.gz PXIJPXDXQNBQMP-ZZRRNANISA-N -1 1 382.472 1.424 20 0 GDADMM C[C@H]1CCCC[C@@H]1CC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001576171413 949764334 /nfs/dbraw/zinc/76/43/34/949764334.db2.gz PXIJPXDXQNBQMP-ZZRRNANISA-N -1 1 382.472 1.424 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CCc1ccoc1 ZINC001573821812 949778041 /nfs/dbraw/zinc/77/80/41/949778041.db2.gz DNQLYNGMTPOWGX-CYBMUJFWSA-N -1 1 384.444 1.825 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CCc1ccoc1 ZINC001573821812 949778054 /nfs/dbraw/zinc/77/80/54/949778054.db2.gz DNQLYNGMTPOWGX-CYBMUJFWSA-N -1 1 384.444 1.825 20 0 GDADMM C[C@H](CNC(=O)[C@H]1C[C@@H]1C(F)F)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001574965204 949790958 /nfs/dbraw/zinc/79/09/58/949790958.db2.gz CYGOQLRGXINTTL-VQVTYTSYSA-N -1 1 391.835 1.819 20 0 GDADMM C[C@H](CNC(=O)[C@H]1C[C@@H]1C(F)F)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001574965204 949790971 /nfs/dbraw/zinc/79/09/71/949790971.db2.gz CYGOQLRGXINTTL-VQVTYTSYSA-N -1 1 391.835 1.819 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CCCOCC1 ZINC001573822438 949791232 /nfs/dbraw/zinc/79/12/32/949791232.db2.gz JHNDSUSQHSBYQC-STQMWFEESA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CCCOCC1 ZINC001573822438 949791247 /nfs/dbraw/zinc/79/12/47/949791247.db2.gz JHNDSUSQHSBYQC-STQMWFEESA-N -1 1 388.476 1.416 20 0 GDADMM CC1(C(=O)N[C@@H]2CC23CCN(c2ccc(-c4nnn[n-]4)nn2)CC3)CCCC1 ZINC001575560816 949796722 /nfs/dbraw/zinc/79/67/22/949796722.db2.gz VCHAIHNBDYCKBI-CQSZACIVSA-N -1 1 382.472 1.712 20 0 GDADMM CC1(C(=O)N[C@@H]2CC23CCN(c2ccc(-c4nn[n-]n4)nn2)CC3)CCCC1 ZINC001575560816 949796737 /nfs/dbraw/zinc/79/67/37/949796737.db2.gz VCHAIHNBDYCKBI-CQSZACIVSA-N -1 1 382.472 1.712 20 0 GDADMM C[C@H](CN(C)C(=O)CCc1ccc(F)cc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574720546 949797132 /nfs/dbraw/zinc/79/71/32/949797132.db2.gz CGRVFSAUURWBBX-GFCCVEGCSA-N -1 1 384.419 1.687 20 0 GDADMM C[C@H](CN(C)C(=O)CCc1ccc(F)cc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574720546 949797146 /nfs/dbraw/zinc/79/71/46/949797146.db2.gz CGRVFSAUURWBBX-GFCCVEGCSA-N -1 1 384.419 1.687 20 0 GDADMM C[C@@H](CN(C)C(=O)CCCc1ccccc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574720608 949801289 /nfs/dbraw/zinc/80/12/89/949801289.db2.gz DUFCHJQQLYYJNQ-AWEZNQCLSA-N -1 1 380.456 1.938 20 0 GDADMM C[C@@H](CN(C)C(=O)CCCc1ccccc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574720608 949801313 /nfs/dbraw/zinc/80/13/13/949801313.db2.gz DUFCHJQQLYYJNQ-AWEZNQCLSA-N -1 1 380.456 1.938 20 0 GDADMM CC1(C(=O)N[C@H]2CCC[C@H]2CNc2cncc(-c3nnn[n-]3)n2)CCOCC1 ZINC001575561841 949816136 /nfs/dbraw/zinc/81/61/36/949816136.db2.gz DEWOAQSGMJCKGZ-STQMWFEESA-N -1 1 386.460 1.170 20 0 GDADMM CC1(C(=O)N[C@H]2CCC[C@H]2CNc2cncc(-c3nn[n-]n3)n2)CCOCC1 ZINC001575561841 949816151 /nfs/dbraw/zinc/81/61/51/949816151.db2.gz DEWOAQSGMJCKGZ-STQMWFEESA-N -1 1 386.460 1.170 20 0 GDADMM C[C@H](CNC(=O)c1c(Cl)n[nH]c1C1CC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574965820 949818882 /nfs/dbraw/zinc/81/88/82/949818882.db2.gz MRRVSQGYTIZVJI-SSDOTTSWSA-N -1 1 388.823 1.141 20 0 GDADMM C[C@H](CNC(=O)c1c(Cl)n[nH]c1C1CC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574965820 949818906 /nfs/dbraw/zinc/81/89/06/949818906.db2.gz MRRVSQGYTIZVJI-SSDOTTSWSA-N -1 1 388.823 1.141 20 0 GDADMM C[C@@H](CNC(=O)[C@H]1C[C@@H]1C(F)F)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574966229 949837811 /nfs/dbraw/zinc/83/78/11/949837811.db2.gz VDZJCPWTHQZIFW-ACZMJKKPSA-N -1 1 391.835 1.819 20 0 GDADMM C[C@@H](CNC(=O)[C@H]1C[C@@H]1C(F)F)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574966229 949837837 /nfs/dbraw/zinc/83/78/37/949837837.db2.gz VDZJCPWTHQZIFW-ACZMJKKPSA-N -1 1 391.835 1.819 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cc[nH]c(=O)c1 ZINC001573823872 949841511 /nfs/dbraw/zinc/84/15/11/949841511.db2.gz ZYIHAJYVIQVUCK-LBPRGKRZSA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cc[nH]c(=O)c1 ZINC001573823872 949841534 /nfs/dbraw/zinc/84/15/34/949841534.db2.gz ZYIHAJYVIQVUCK-LBPRGKRZSA-N -1 1 383.416 1.014 20 0 GDADMM CC1(C(=O)N[C@@H]2CC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CCOCC1 ZINC001575563896 949847364 /nfs/dbraw/zinc/84/73/64/949847364.db2.gz MYPMXVLDDUDNMX-QWHCGFSZSA-N -1 1 386.460 1.170 20 0 GDADMM CC1(C(=O)N[C@@H]2CC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CCOCC1 ZINC001575563896 949847385 /nfs/dbraw/zinc/84/73/85/949847385.db2.gz MYPMXVLDDUDNMX-QWHCGFSZSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](CN(C)C(=O)CCOc1ccccc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574722949 949849449 /nfs/dbraw/zinc/84/94/49/949849449.db2.gz YOGSAZYZAUCWCF-ZDUSSCGKSA-N -1 1 382.428 1.385 20 0 GDADMM C[C@@H](CN(C)C(=O)CCOc1ccccc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574722949 949849477 /nfs/dbraw/zinc/84/94/77/949849477.db2.gz YOGSAZYZAUCWCF-ZDUSSCGKSA-N -1 1 382.428 1.385 20 0 GDADMM C[C@H]1CCCC[C@@H]1CC(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576174090 949850207 /nfs/dbraw/zinc/85/02/07/949850207.db2.gz ZUOXEAFZLLVGSA-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574484035 949855453 /nfs/dbraw/zinc/85/54/53/949855453.db2.gz CTIZUZNXGBOXGH-CHWSQXEVSA-N -1 1 382.428 1.268 20 0 GDADMM CC(C)(C)C1CC(C(=O)N2CC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001573825081 949863293 /nfs/dbraw/zinc/86/32/93/949863293.db2.gz KWHGDSPYRGAOLN-IYXRBSQSSA-N -1 1 384.488 1.411 20 0 GDADMM CC(C)(C)C1CC(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)C1 ZINC001573825180 949863489 /nfs/dbraw/zinc/86/34/89/949863489.db2.gz LPTRNAUOZFWJBV-LLYMFKJOSA-N -1 1 382.472 1.280 20 0 GDADMM CC(C)(C)C1CC(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]32)C1 ZINC001573825180 949863512 /nfs/dbraw/zinc/86/35/12/949863512.db2.gz LPTRNAUOZFWJBV-LLYMFKJOSA-N -1 1 382.472 1.280 20 0 GDADMM CC(C)(C)C1CC(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001573825227 949869829 /nfs/dbraw/zinc/86/98/29/949869829.db2.gz NSBMRXQMLHFNDQ-JXQTWKCFSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)C1CC(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001573825227 949869847 /nfs/dbraw/zinc/86/98/47/949869847.db2.gz NSBMRXQMLHFNDQ-JXQTWKCFSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H]1[C@@H](NC(=O)Cc2cccs2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575886207 949878513 /nfs/dbraw/zinc/87/85/13/949878513.db2.gz XMAKAONMQNJBCQ-AAEUAGOBSA-N -1 1 384.469 1.434 20 0 GDADMM C[C@H]1[C@@H](NC(=O)Cc2cccs2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575886207 949878529 /nfs/dbraw/zinc/87/85/29/949878529.db2.gz XMAKAONMQNJBCQ-AAEUAGOBSA-N -1 1 384.469 1.434 20 0 GDADMM CC(C)(C)C12CC(C(=O)N3CCN(c4cncc(-c5nnn[n-]5)n4)CC3)(C1)C2 ZINC001573825389 949878544 /nfs/dbraw/zinc/87/85/44/949878544.db2.gz UHVARXJTUBEELZ-UHFFFAOYSA-N -1 1 382.472 1.522 20 0 GDADMM CC(C)(C)C12CC(C(=O)N3CCN(c4cncc(-c5nn[n-]n5)n4)CC3)(C1)C2 ZINC001573825389 949878564 /nfs/dbraw/zinc/87/85/64/949878564.db2.gz UHVARXJTUBEELZ-UHFFFAOYSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C(=O)N[C@H]2CCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)CC(F)(F)C1 ZINC001575565715 949887067 /nfs/dbraw/zinc/88/70/67/949887067.db2.gz XQFPBPQIGIXFFG-QWRGUYRKSA-N -1 1 392.414 1.789 20 0 GDADMM CC1(C(=O)N[C@H]2CCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)CC(F)(F)C1 ZINC001575565715 949887083 /nfs/dbraw/zinc/88/70/83/949887083.db2.gz XQFPBPQIGIXFFG-QWRGUYRKSA-N -1 1 392.414 1.789 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574143986 949900199 /nfs/dbraw/zinc/90/01/99/949900199.db2.gz JVIGAYJMILSAEJ-KGLIPLIRSA-N -1 1 388.476 1.193 20 0 GDADMM CC(C)(C)/C=C/C(=O)N1CCCC[C@@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001573827187 949914013 /nfs/dbraw/zinc/91/40/13/949914013.db2.gz KRFFQENIPMJDSP-DNGMOHDESA-N -1 1 384.488 1.864 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccco1 ZINC001574485263 949921233 /nfs/dbraw/zinc/92/12/33/949921233.db2.gz VYZKZIHFONOSJN-CHWSQXEVSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574485263 949921263 /nfs/dbraw/zinc/92/12/63/949921263.db2.gz VYZKZIHFONOSJN-CHWSQXEVSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001574485306 949927111 /nfs/dbraw/zinc/92/71/11/949927111.db2.gz WVTTUYWXVKRUJI-UONOGXRCSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574485306 949927128 /nfs/dbraw/zinc/92/71/28/949927128.db2.gz WVTTUYWXVKRUJI-UONOGXRCSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@H]1CCN(C(=O)C2CC(F)(F)C2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576180146 949940510 /nfs/dbraw/zinc/94/05/10/949940510.db2.gz CJQZMWLPWQERCU-CMPLNLGQSA-N -1 1 392.414 1.020 20 0 GDADMM C[C@H](CC(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)c1ccco1 ZINC001574488867 949951437 /nfs/dbraw/zinc/95/14/37/949951437.db2.gz GTLRSKVRQVISAQ-RISCZKNCSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](CC(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)c1ccco1 ZINC001574488867 949951456 /nfs/dbraw/zinc/95/14/56/949951456.db2.gz GTLRSKVRQVISAQ-RISCZKNCSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H]1CCN(C(=O)CC(C)(F)F)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576180604 949964438 /nfs/dbraw/zinc/96/44/38/949964438.db2.gz FMDJAIFQEURVPZ-MNOVXSKESA-N -1 1 380.403 1.020 20 0 GDADMM C[C@H]1CCN(C(=O)CC(F)(F)F)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576180582 949964781 /nfs/dbraw/zinc/96/47/81/949964781.db2.gz FKICKUOXKMJPOS-UWVGGRQHSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@H]1CCN(C(=O)CC(F)(F)F)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576180582 949964813 /nfs/dbraw/zinc/96/48/13/949964813.db2.gz FKICKUOXKMJPOS-UWVGGRQHSA-N -1 1 384.366 1.506 20 0 GDADMM CC(C)(C)CC(=O)N1CCC[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001573829748 949966822 /nfs/dbraw/zinc/96/68/22/949966822.db2.gz DRSBXTFCIBEVKQ-LJQANCHMSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)(C)CC(=O)N1CCC[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001573829748 949966836 /nfs/dbraw/zinc/96/68/36/949966836.db2.gz DRSBXTFCIBEVKQ-LJQANCHMSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@@H]1CCN(C(=O)C2CC3(CC3)C2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576180590 949966857 /nfs/dbraw/zinc/96/68/57/949966857.db2.gz FKJFZHHBKXAPNW-TZMCWYRMSA-N -1 1 382.472 1.165 20 0 GDADMM C[C@H]1CCN(C(=O)CC(C)(F)F)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576180607 949966901 /nfs/dbraw/zinc/96/69/01/949966901.db2.gz FMDJAIFQEURVPZ-WDEREUQCSA-N -1 1 380.403 1.020 20 0 GDADMM CC1(C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)CC2(C)C)CC(F)(F)C1 ZINC001575572279 949968944 /nfs/dbraw/zinc/96/89/44/949968944.db2.gz DYMLDFTULZETPF-LLVKDONJSA-N -1 1 392.414 1.423 20 0 GDADMM CC1(C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)CC2(C)C)CC(F)(F)C1 ZINC001575572279 949968962 /nfs/dbraw/zinc/96/89/62/949968962.db2.gz DYMLDFTULZETPF-LLVKDONJSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@@H](CC(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)C(F)(F)F ZINC001574490004 949975219 /nfs/dbraw/zinc/97/52/19/949975219.db2.gz MPIDGWFLWQWSLO-WCBMZHEXSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](CC(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)C(F)(F)F ZINC001574490004 949975237 /nfs/dbraw/zinc/97/52/37/949975237.db2.gz MPIDGWFLWQWSLO-WCBMZHEXSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ccc(F)c(F)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574728482 949991897 /nfs/dbraw/zinc/99/18/97/949991897.db2.gz BITPYGYGWDPPMZ-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ccc(F)c(F)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574728482 949991913 /nfs/dbraw/zinc/99/19/13/949991913.db2.gz BITPYGYGWDPPMZ-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ccc(F)c(F)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574728714 950004211 /nfs/dbraw/zinc/00/42/11/950004211.db2.gz HYZCFGURSYCDAG-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ccc(F)c(F)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574728714 950004232 /nfs/dbraw/zinc/00/42/32/950004232.db2.gz HYZCFGURSYCDAG-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H](NC(=O)Cc1ccco1)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575289824 950005035 /nfs/dbraw/zinc/00/50/35/950005035.db2.gz CEEZWWZQESYRPB-QWHCGFSZSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@H]1CCN(C(=O)C2(F)CCCC2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576181485 950007826 /nfs/dbraw/zinc/00/78/26/950007826.db2.gz IMDNRKWSYAOKJP-STQMWFEESA-N -1 1 388.451 1.257 20 0 GDADMM CC(C)(C)CC(=O)N[C@@H]1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@H]2C1 ZINC001573834046 950014254 /nfs/dbraw/zinc/01/42/54/950014254.db2.gz DVDNEDQPHJLRLZ-MELADBBJSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)CC(=O)N[C@@H]1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@H]2C1 ZINC001573834046 950014275 /nfs/dbraw/zinc/01/42/75/950014275.db2.gz DVDNEDQPHJLRLZ-MELADBBJSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1cccc(F)c1F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574730238 950027276 /nfs/dbraw/zinc/02/72/76/950027276.db2.gz QDCQQRSHMGDKRD-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1cccc(F)c1F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574730238 950027286 /nfs/dbraw/zinc/02/72/86/950027286.db2.gz QDCQQRSHMGDKRD-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM CC1(C(=O)NC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C2CC2)CC(F)(F)C1 ZINC001575574840 950030225 /nfs/dbraw/zinc/03/02/25/950030225.db2.gz ZPCSXKHMONQGLQ-NSHDSACASA-N -1 1 378.387 1.399 20 0 GDADMM CC1(C(=O)NC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C2CC2)CC(F)(F)C1 ZINC001575574840 950030245 /nfs/dbraw/zinc/03/02/45/950030245.db2.gz ZPCSXKHMONQGLQ-NSHDSACASA-N -1 1 378.387 1.399 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1cc[nH]n1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574730410 950031891 /nfs/dbraw/zinc/03/18/91/950031891.db2.gz RYEDUXRWUHCRNL-ZETCQYMHSA-N -1 1 381.853 1.201 20 0 GDADMM C[C@H](CN(C)C(=O)Cn1cccn1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574730818 950035798 /nfs/dbraw/zinc/03/57/98/950035798.db2.gz BRDAZCRVRRYBRO-MRVPVSSYSA-N -1 1 381.853 1.132 20 0 GDADMM C[C@H](CN(C)C(=O)Cn1cccn1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574730818 950035817 /nfs/dbraw/zinc/03/58/17/950035817.db2.gz BRDAZCRVRRYBRO-MRVPVSSYSA-N -1 1 381.853 1.132 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2)C1CC1 ZINC001574491835 950050586 /nfs/dbraw/zinc/05/05/86/950050586.db2.gz GSCJNZAFHISDDB-DOMZBBRYSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2)C1CC1 ZINC001574491835 950050616 /nfs/dbraw/zinc/05/06/16/950050616.db2.gz GSCJNZAFHISDDB-DOMZBBRYSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H]1CCN(C(=O)C(C)(C)C2CC2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576182410 950051296 /nfs/dbraw/zinc/05/12/96/950051296.db2.gz ZQJXSISDMODMKT-OLZOCXBDSA-N -1 1 384.488 1.411 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ccc[nH]1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574732006 950066966 /nfs/dbraw/zinc/06/69/66/950066966.db2.gz ZWTBVIVRQMSCHG-MRVPVSSYSA-N -1 1 380.865 1.806 20 0 GDADMM C[C@H](CC(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nn1)C1CCCCC1 ZINC001574492345 950076188 /nfs/dbraw/zinc/07/61/88/950076188.db2.gz AJQGHGLSTMTXEC-TZMCWYRMSA-N -1 1 388.476 1.152 20 0 GDADMM C[C@H](CC(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nn1)C1CCCCC1 ZINC001574492345 950076214 /nfs/dbraw/zinc/07/62/14/950076214.db2.gz AJQGHGLSTMTXEC-TZMCWYRMSA-N -1 1 388.476 1.152 20 0 GDADMM C[C@H]1CCN(C(=O)CCC(F)F)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576183612 950095572 /nfs/dbraw/zinc/09/55/72/950095572.db2.gz QPPZRVSSCALZKG-QWRGUYRKSA-N -1 1 380.403 1.020 20 0 GDADMM C[C@H]1CCN(C(=O)C2(C3CC3)CC2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576184109 950118417 /nfs/dbraw/zinc/11/84/17/950118417.db2.gz UAIIDQDATRKDGC-STQMWFEESA-N -1 1 382.472 1.165 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@]1(C)c1ccccc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574734189 950126244 /nfs/dbraw/zinc/12/62/44/950126244.db2.gz KMXBLLJOYUWSLA-ZQGRQUNCSA-N -1 1 392.467 1.893 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@]1(C)c1ccccc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574734189 950126254 /nfs/dbraw/zinc/12/62/54/950126254.db2.gz KMXBLLJOYUWSLA-ZQGRQUNCSA-N -1 1 392.467 1.893 20 0 GDADMM C[C@H](CC(=O)N[C@]1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574493509 950133529 /nfs/dbraw/zinc/13/35/29/950133529.db2.gz SXBIRLVFINBKJL-FZKQIMNGSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)C1CCCCC1 ZINC001574494320 950160477 /nfs/dbraw/zinc/16/04/77/950160477.db2.gz KDYNNOJNBHCDSF-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)C1CCCCC1 ZINC001574494320 950160498 /nfs/dbraw/zinc/16/04/98/950160498.db2.gz KDYNNOJNBHCDSF-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CC(=O)N[C@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001574494467 950165646 /nfs/dbraw/zinc/16/56/46/950165646.db2.gz ZIMFLWVICALBOU-KPZWWZAWSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](CC(=O)N[C@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001574494467 950165665 /nfs/dbraw/zinc/16/56/65/950165665.db2.gz ZIMFLWVICALBOU-KPZWWZAWSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](CC(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1)[C@H]1CCCO1 ZINC001574494576 950169751 /nfs/dbraw/zinc/16/97/51/950169751.db2.gz LMIPINALJPTJQQ-SMDDNHRTSA-N -1 1 376.486 1.434 20 0 GDADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H]1Cc2ccccc21 ZINC001574154762 950178189 /nfs/dbraw/zinc/17/81/89/950178189.db2.gz HDZIZZDOUQCPEI-HOCLYGCPSA-N -1 1 392.467 1.361 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccccn2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576190964 950180973 /nfs/dbraw/zinc/18/09/73/950180973.db2.gz FBQBJLUOPKVNDH-OLZOCXBDSA-N -1 1 379.428 1.262 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccccn2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576190964 950180980 /nfs/dbraw/zinc/18/09/80/950180980.db2.gz FBQBJLUOPKVNDH-OLZOCXBDSA-N -1 1 379.428 1.262 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C1(F)CCCC1 ZINC001574155181 950182818 /nfs/dbraw/zinc/18/28/18/950182818.db2.gz JNQLPOCIXFXKSN-LBPRGKRZSA-N -1 1 376.440 1.882 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C1(F)CCCC1 ZINC001574155181 950182829 /nfs/dbraw/zinc/18/28/29/950182829.db2.gz JNQLPOCIXFXKSN-LBPRGKRZSA-N -1 1 376.440 1.882 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cccn2C)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576191146 950187310 /nfs/dbraw/zinc/18/73/10/950187310.db2.gz GLRJEAJTCQIALV-OLZOCXBDSA-N -1 1 381.444 1.206 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cccn2C)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576191146 950187328 /nfs/dbraw/zinc/18/73/28/950187328.db2.gz GLRJEAJTCQIALV-OLZOCXBDSA-N -1 1 381.444 1.206 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccsn2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576191123 950188989 /nfs/dbraw/zinc/18/89/89/950188989.db2.gz DPLVZQFLDAAVTN-GHMZBOCLSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccsn2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576191123 950189000 /nfs/dbraw/zinc/18/90/00/950189000.db2.gz DPLVZQFLDAAVTN-GHMZBOCLSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H](Nc1nccnc1-c1nnn[n-]1)C1CC1)C(F)(F)F ZINC001574494925 950192617 /nfs/dbraw/zinc/19/26/17/950192617.db2.gz QJXXINQTUAYSCA-WCBMZHEXSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H](Nc1nccnc1-c1nn[n-]n1)C1CC1)C(F)(F)F ZINC001574494925 950192630 /nfs/dbraw/zinc/19/26/30/950192630.db2.gz QJXXINQTUAYSCA-WCBMZHEXSA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CC[C@H]1CCCO1 ZINC001574155431 950193096 /nfs/dbraw/zinc/19/30/96/950193096.db2.gz KWPUWYXKSDHLFK-ZIAGYGMSSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CC[C@H]1CCCO1 ZINC001574155431 950193109 /nfs/dbraw/zinc/19/31/09/950193109.db2.gz KWPUWYXKSDHLFK-ZIAGYGMSSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCC1(F)F ZINC001574155575 950201786 /nfs/dbraw/zinc/20/17/86/950201786.db2.gz OFIZGVBVYHLHNU-MNOVXSKESA-N -1 1 380.403 1.067 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](CO)Nc1cnc(-c2nnn[n-]2)cn1)C1CCCCC1 ZINC001574496094 950213938 /nfs/dbraw/zinc/21/39/38/950213938.db2.gz VMLYASMKWJIYCQ-OCCSQVGLSA-N -1 1 388.476 1.152 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](CO)Nc1cnc(-c2nn[n-]n2)cn1)C1CCCCC1 ZINC001574496094 950213957 /nfs/dbraw/zinc/21/39/57/950213957.db2.gz VMLYASMKWJIYCQ-OCCSQVGLSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)Cc1cccnc1 ZINC001574156127 950228089 /nfs/dbraw/zinc/22/80/89/950228089.db2.gz XCXNLANZQMTGIQ-CQSZACIVSA-N -1 1 381.444 1.237 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)Cc1cccnc1 ZINC001574156127 950228114 /nfs/dbraw/zinc/22/81/14/950228114.db2.gz XCXNLANZQMTGIQ-CQSZACIVSA-N -1 1 381.444 1.237 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCC1)C(F)(F)F ZINC001574497626 950233452 /nfs/dbraw/zinc/23/34/52/950233452.db2.gz AEMUJJPGDVRVFD-VIFPVBQESA-N -1 1 384.366 1.696 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCC1)C(F)(F)F ZINC001574497626 950233471 /nfs/dbraw/zinc/23/34/71/950233471.db2.gz AEMUJJPGDVRVFD-VIFPVBQESA-N -1 1 384.366 1.696 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cncs2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576192285 950236957 /nfs/dbraw/zinc/23/69/57/950236957.db2.gz LRTNCRPMZAFYPV-MNOVXSKESA-N -1 1 385.457 1.324 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cncs2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576192285 950236980 /nfs/dbraw/zinc/23/69/80/950236980.db2.gz LRTNCRPMZAFYPV-MNOVXSKESA-N -1 1 385.457 1.324 20 0 GDADMM C[C@@H](CC(=O)NCC1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574497769 950241052 /nfs/dbraw/zinc/24/10/52/950241052.db2.gz CQIUDNVDCVFCNA-HLIUYOAVSA-N -1 1 392.467 1.579 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1 ZINC001573846434 950248487 /nfs/dbraw/zinc/24/84/87/950248487.db2.gz QZGURPFIKSBHMR-MELADBBJSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1 ZINC001573846434 950248500 /nfs/dbraw/zinc/24/85/00/950248500.db2.gz QZGURPFIKSBHMR-MELADBBJSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](CC(=O)NC[C@H](O)CNc1cncc(-c2nnn[n-]2)n1)CC(C)(C)C ZINC001574497914 950253053 /nfs/dbraw/zinc/25/30/53/950253053.db2.gz GGSPISOSWHPOQP-VXGBXAGGSA-N -1 1 376.465 1.008 20 0 GDADMM C[C@H](CC(=O)NC[C@H](O)CNc1cncc(-c2nn[n-]n2)n1)CC(C)(C)C ZINC001574497914 950253071 /nfs/dbraw/zinc/25/30/71/950253071.db2.gz GGSPISOSWHPOQP-VXGBXAGGSA-N -1 1 376.465 1.008 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cc[nH]c(=O)c1 ZINC001574157975 950265836 /nfs/dbraw/zinc/26/58/36/950265836.db2.gz MADGVRHXNROGEA-GFCCVEGCSA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cc[nH]c(=O)c1 ZINC001574157975 950265857 /nfs/dbraw/zinc/26/58/57/950265857.db2.gz MADGVRHXNROGEA-GFCCVEGCSA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)(C)OC(=O)[C@]1(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)CC=CCC1 ZINC001573850558 950272377 /nfs/dbraw/zinc/27/23/77/950272377.db2.gz KUVHIVNGADMIDW-LJQANCHMSA-N -1 1 384.440 1.946 20 0 GDADMM CC(C)(C)OC(=O)[C@]1(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)CC=CCC1 ZINC001573850558 950272398 /nfs/dbraw/zinc/27/23/98/950272398.db2.gz KUVHIVNGADMIDW-LJQANCHMSA-N -1 1 384.440 1.946 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCC1)c1ccco1 ZINC001574498504 950281511 /nfs/dbraw/zinc/28/15/11/950281511.db2.gz OJPUGFTXNCPKBI-LBPRGKRZSA-N -1 1 382.428 1.894 20 0 GDADMM C[C@@H](CC(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCC1)c1ccco1 ZINC001574498504 950281532 /nfs/dbraw/zinc/28/15/32/950281532.db2.gz OJPUGFTXNCPKBI-LBPRGKRZSA-N -1 1 382.428 1.894 20 0 GDADMM CC(C)(C)OC(=O)CC[C@@H]1C[C@@H](C(=O)Nc2c[nH]nc2-c2nn[n-]n2)CO1 ZINC001573850916 950284822 /nfs/dbraw/zinc/28/48/22/950284822.db2.gz OZWLBYQXXSVJBT-NXEZZACHSA-N -1 1 377.405 1.055 20 0 GDADMM CC1(C(=O)NC[C@@H]2CN(c3nccnc3-c3nnn[n-]3)CCC2(F)F)CC1 ZINC001575595596 950356812 /nfs/dbraw/zinc/35/68/12/950356812.db2.gz PDYAZCJPKZSJBV-SNVBAGLBSA-N -1 1 378.387 1.035 20 0 GDADMM CC1(C(=O)NC[C@@H]2CN(c3nccnc3-c3nn[n-]n3)CCC2(F)F)CC1 ZINC001575595596 950356835 /nfs/dbraw/zinc/35/68/35/950356835.db2.gz PDYAZCJPKZSJBV-SNVBAGLBSA-N -1 1 378.387 1.035 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCn1cccc1 ZINC001574161348 950356562 /nfs/dbraw/zinc/35/65/62/950356562.db2.gz UHTZPMQQIZWJAD-AWEZNQCLSA-N -1 1 383.460 1.491 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCn1cccc1 ZINC001574161348 950356585 /nfs/dbraw/zinc/35/65/85/950356585.db2.gz UHTZPMQQIZWJAD-AWEZNQCLSA-N -1 1 383.460 1.491 20 0 GDADMM CC(C)(C)OC(=O)N1CCO[C@@](C)(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001573856505 950384453 /nfs/dbraw/zinc/38/44/53/950384453.db2.gz AXIRDHRHMNRKGZ-INIZCTEOSA-N -1 1 376.421 1.095 20 0 GDADMM CC(C)(C)OC(=O)N1CCO[C@@](C)(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001573856505 950384473 /nfs/dbraw/zinc/38/44/73/950384473.db2.gz AXIRDHRHMNRKGZ-INIZCTEOSA-N -1 1 376.421 1.095 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@]1(C)CCCOC1 ZINC001574162656 950395025 /nfs/dbraw/zinc/39/50/25/950395025.db2.gz GONGKLATVJRWBE-ACJLOTCBSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@]1(C)CCCOC1 ZINC001574162656 950395047 /nfs/dbraw/zinc/39/50/47/950395047.db2.gz GONGKLATVJRWBE-ACJLOTCBSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)OC(=O)N1CCO[C@](C)(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573857065 950401270 /nfs/dbraw/zinc/40/12/70/950401270.db2.gz MSIJQJGRWGJFKD-MRXNPFEDSA-N -1 1 376.421 1.095 20 0 GDADMM CC(C)(C)OC(=O)N1CCO[C@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573857065 950401281 /nfs/dbraw/zinc/40/12/81/950401281.db2.gz MSIJQJGRWGJFKD-MRXNPFEDSA-N -1 1 376.421 1.095 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC001574503308 950403697 /nfs/dbraw/zinc/40/36/97/950403697.db2.gz UJZCPDQSLBXLEE-TZMCWYRMSA-N -1 1 390.513 1.681 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@H]1CCCCO1 ZINC001574162889 950408980 /nfs/dbraw/zinc/40/89/80/950408980.db2.gz LIMVXJICOFBGJI-ZIAGYGMSSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@H]1CCCCO1 ZINC001574162889 950408988 /nfs/dbraw/zinc/40/89/88/950408988.db2.gz LIMVXJICOFBGJI-ZIAGYGMSSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)c1cc(C(=O)N(C)C[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)nn1C ZINC001574747828 950419064 /nfs/dbraw/zinc/41/90/64/950419064.db2.gz YMKARQQIDWMYOK-LLVKDONJSA-N -1 1 384.448 1.086 20 0 GDADMM CC(C)c1cc(C(=O)N(C)C[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)nn1C ZINC001574747828 950419075 /nfs/dbraw/zinc/41/90/75/950419075.db2.gz YMKARQQIDWMYOK-LLVKDONJSA-N -1 1 384.448 1.086 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CCC(F)(F)F ZINC001574163320 950421409 /nfs/dbraw/zinc/42/14/09/950421409.db2.gz RPYKXDIRDXMVKR-SNVBAGLBSA-N -1 1 386.382 1.942 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CCC(F)(F)F ZINC001574163320 950421422 /nfs/dbraw/zinc/42/14/22/950421422.db2.gz RPYKXDIRDXMVKR-SNVBAGLBSA-N -1 1 386.382 1.942 20 0 GDADMM CC(C)C[C@H](NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1ccccc1 ZINC001574163751 950431164 /nfs/dbraw/zinc/43/11/64/950431164.db2.gz XJFRRKPYVYQVRK-AWEZNQCLSA-N -1 1 383.412 1.033 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001573861105 950441695 /nfs/dbraw/zinc/44/16/95/950441695.db2.gz SXPTUFRDHQKSNX-GXSJLCMTSA-N -1 1 376.421 1.612 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001573861105 950441706 /nfs/dbraw/zinc/44/17/06/950441706.db2.gz SXPTUFRDHQKSNX-GXSJLCMTSA-N -1 1 376.421 1.612 20 0 GDADMM CC(C)CC1(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nnn[n-]3)nn2)CCC1 ZINC001574165335 950447457 /nfs/dbraw/zinc/44/74/57/950447457.db2.gz DEMQQZNQZILZHL-KBPBESRZSA-N -1 1 382.472 1.663 20 0 GDADMM CC(C)CC1(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nn[n-]n3)nn2)CCC1 ZINC001574165335 950447468 /nfs/dbraw/zinc/44/74/68/950447468.db2.gz DEMQQZNQZILZHL-KBPBESRZSA-N -1 1 382.472 1.663 20 0 GDADMM CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nnn[n-]3)nn2)CCCCC1 ZINC001575605358 950461342 /nfs/dbraw/zinc/46/13/42/950461342.db2.gz MSUOLIJITVLMSV-YUELXQCFSA-N -1 1 382.472 1.853 20 0 GDADMM CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nn2)CCCCC1 ZINC001575605358 950461354 /nfs/dbraw/zinc/46/13/54/950461354.db2.gz MSUOLIJITVLMSV-YUELXQCFSA-N -1 1 382.472 1.853 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc(N(C)C)cc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574752329 950476554 /nfs/dbraw/zinc/47/65/54/950476554.db2.gz AYGSGCCGPDCCBN-GFCCVEGCSA-N -1 1 381.444 1.295 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc(N(C)C)cc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574752329 950476567 /nfs/dbraw/zinc/47/65/67/950476567.db2.gz AYGSGCCGPDCCBN-GFCCVEGCSA-N -1 1 381.444 1.295 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)C1CCC(F)(F)CC1 ZINC001575913257 950480848 /nfs/dbraw/zinc/48/08/48/950480848.db2.gz JEDBNVVCTAOGIX-CMPLNLGQSA-N -1 1 392.414 1.884 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)C1CCC(F)(F)CC1 ZINC001575913257 950480861 /nfs/dbraw/zinc/48/08/61/950480861.db2.gz JEDBNVVCTAOGIX-CMPLNLGQSA-N -1 1 392.414 1.884 20 0 GDADMM CC(C)(C)OC(=O)[C@H]1C[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573863619 950484932 /nfs/dbraw/zinc/48/49/32/950484932.db2.gz MLBPRLPCAHQAKP-AOOOYVTPSA-N -1 1 397.432 1.404 20 0 GDADMM CC(C)c1ccc(C(=O)N(C)C[C@H](C)Nc2nccnc2-c2nnn[n-]2)nc1 ZINC001574752618 950490654 /nfs/dbraw/zinc/49/06/54/950490654.db2.gz DLBBDHYWNXDMLZ-LBPRGKRZSA-N -1 1 381.444 1.748 20 0 GDADMM CC(C)c1ccc(C(=O)N(C)C[C@H](C)Nc2nccnc2-c2nn[n-]n2)nc1 ZINC001574752618 950490673 /nfs/dbraw/zinc/49/06/73/950490673.db2.gz DLBBDHYWNXDMLZ-LBPRGKRZSA-N -1 1 381.444 1.748 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001574509497 950510540 /nfs/dbraw/zinc/51/05/40/950510540.db2.gz VQYYTHUPXCESMZ-IHRRRGAJSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574509497 950510563 /nfs/dbraw/zinc/51/05/63/950510563.db2.gz VQYYTHUPXCESMZ-IHRRRGAJSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](CC(=O)NCC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C)C1CC1 ZINC001574509564 950515340 /nfs/dbraw/zinc/51/53/40/950515340.db2.gz SEILZPJKPIVAFF-GZBFAFLISA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)CC1(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)[C@@H]2C)CCC1 ZINC001574168550 950518522 /nfs/dbraw/zinc/51/85/22/950518522.db2.gz YLGKUIOLWNKZHU-KGLIPLIRSA-N -1 1 384.488 1.957 20 0 GDADMM CC(C)CC1(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)[C@@H]2C)CCC1 ZINC001574168550 950518540 /nfs/dbraw/zinc/51/85/40/950518540.db2.gz YLGKUIOLWNKZHU-KGLIPLIRSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc2nccnc2c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574753393 950523159 /nfs/dbraw/zinc/52/31/59/950523159.db2.gz MHHSYLYCEKRADQ-NSHDSACASA-N -1 1 390.411 1.173 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc2nccnc2c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574753393 950523168 /nfs/dbraw/zinc/52/31/68/950523168.db2.gz MHHSYLYCEKRADQ-NSHDSACASA-N -1 1 390.411 1.173 20 0 GDADMM CC(C)CCC(=O)N(CCO)CCNc1snc(Cl)c1-c1nnn[n-]1 ZINC001574169622 950524522 /nfs/dbraw/zinc/52/45/22/950524522.db2.gz BCUGNMZUSRQEAA-UHFFFAOYSA-N -1 1 387.897 1.646 20 0 GDADMM CC(C)CCC(=O)N(CCO)CCNc1snc(Cl)c1-c1nn[n-]n1 ZINC001574169622 950524539 /nfs/dbraw/zinc/52/45/39/950524539.db2.gz BCUGNMZUSRQEAA-UHFFFAOYSA-N -1 1 387.897 1.646 20 0 GDADMM CC(C)(C)OCC(=O)N1CCCCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573867329 950526387 /nfs/dbraw/zinc/52/63/87/950526387.db2.gz WHOFMVQLIBAHOZ-ZDUSSCGKSA-N -1 1 388.476 1.655 20 0 GDADMM CC(C)(C)OCC(=O)N1CCCCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573867329 950526406 /nfs/dbraw/zinc/52/64/06/950526406.db2.gz WHOFMVQLIBAHOZ-ZDUSSCGKSA-N -1 1 388.476 1.655 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)COCC1CCCC1 ZINC001575916185 950534585 /nfs/dbraw/zinc/53/45/85/950534585.db2.gz PQCFQIVPASNQFJ-OCCSQVGLSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)COCC1CCCC1 ZINC001575916185 950534607 /nfs/dbraw/zinc/53/46/07/950534607.db2.gz PQCFQIVPASNQFJ-OCCSQVGLSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@H](C)c1ccccc1F ZINC001574510793 950547510 /nfs/dbraw/zinc/54/75/10/950547510.db2.gz ANLSROXITVKSQD-RYUDHWBXSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@H](C)c1ccccc1F ZINC001574510793 950547520 /nfs/dbraw/zinc/54/75/20/950547520.db2.gz ANLSROXITVKSQD-RYUDHWBXSA-N -1 1 384.419 1.906 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573868891 950549587 /nfs/dbraw/zinc/54/95/87/950549587.db2.gz HPQNCXGYUZWANZ-QMMMGPOBSA-N -1 1 385.881 1.487 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573868891 950549608 /nfs/dbraw/zinc/54/96/08/950549608.db2.gz HPQNCXGYUZWANZ-QMMMGPOBSA-N -1 1 385.881 1.487 20 0 GDADMM CC(C)CCC(=O)N(CCO)CCNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574171917 950572812 /nfs/dbraw/zinc/57/28/12/950572812.db2.gz WSVNVCGWTCGDLZ-UHFFFAOYSA-N -1 1 387.897 1.646 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)ccc1F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574999407 950581213 /nfs/dbraw/zinc/58/12/13/950581213.db2.gz JBZRIMJIEZKTQR-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)ccc1F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574999407 950581230 /nfs/dbraw/zinc/58/12/30/950581230.db2.gz JBZRIMJIEZKTQR-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ncc(F)cc1F ZINC001575918185 950588968 /nfs/dbraw/zinc/58/89/68/950588968.db2.gz BBXXOHJFKQJZEU-GZMMTYOYSA-N -1 1 387.354 1.045 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ncc(F)cc1F ZINC001575918185 950588981 /nfs/dbraw/zinc/58/89/81/950588981.db2.gz BBXXOHJFKQJZEU-GZMMTYOYSA-N -1 1 387.354 1.045 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ncc(F)cc1F ZINC001575918188 950589412 /nfs/dbraw/zinc/58/94/12/950589412.db2.gz BBXXOHJFKQJZEU-LDYMZIIASA-N -1 1 387.354 1.045 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ncc(F)cc1F ZINC001575918188 950589425 /nfs/dbraw/zinc/58/94/25/950589425.db2.gz BBXXOHJFKQJZEU-LDYMZIIASA-N -1 1 387.354 1.045 20 0 GDADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(Cl)cc1 ZINC001575918412 950591520 /nfs/dbraw/zinc/59/15/20/950591520.db2.gz BSZCIIOZQCDFMJ-GWCFXTLKSA-N -1 1 384.831 1.447 20 0 GDADMM CC1(C)C(C(=O)N2C[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]3C2)C1(C)C ZINC001575617327 950598180 /nfs/dbraw/zinc/59/81/80/950598180.db2.gz ANDJBFCXZSNDCZ-TXEJJXNPSA-N -1 1 382.472 1.234 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[C@@H](C)c1ccc(F)cc1 ZINC001574513229 950599201 /nfs/dbraw/zinc/59/92/01/950599201.db2.gz KZXWZMOTSZVOEH-VXGBXAGGSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[C@@H](C)c1ccc(F)cc1 ZINC001574513229 950599216 /nfs/dbraw/zinc/59/92/16/950599216.db2.gz KZXWZMOTSZVOEH-VXGBXAGGSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1C)c1ccco1 ZINC001574513363 950606258 /nfs/dbraw/zinc/60/62/58/950606258.db2.gz PPTKXGAWVPIVTP-XQQFMLRXSA-N -1 1 382.428 1.527 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)ccc1Cl)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575000812 950612876 /nfs/dbraw/zinc/61/28/76/950612876.db2.gz FXQNVRHJVKLEOJ-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)ccc1Cl)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575000812 950612894 /nfs/dbraw/zinc/61/28/94/950612894.db2.gz FXQNVRHJVKLEOJ-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001574513741 950617957 /nfs/dbraw/zinc/61/79/57/950617957.db2.gz XQSJEVLNZMTDBX-ZJUUUORDSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001574513741 950617983 /nfs/dbraw/zinc/61/79/83/950617983.db2.gz XQSJEVLNZMTDBX-ZJUUUORDSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)c[nH]1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575001319 950631154 /nfs/dbraw/zinc/63/11/54/950631154.db2.gz KDZYKPJQCLGBNW-LURJTMIESA-N -1 1 384.828 1.922 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)c[nH]1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575001319 950631170 /nfs/dbraw/zinc/63/11/70/950631170.db2.gz KDZYKPJQCLGBNW-LURJTMIESA-N -1 1 384.828 1.922 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)[C@H]1CCCO1 ZINC001574515722 950632935 /nfs/dbraw/zinc/63/29/35/950632935.db2.gz GANMWSJMZIELAM-RGCMKSIDSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)[C@H]1CCCO1 ZINC001574515722 950632949 /nfs/dbraw/zinc/63/29/49/950632949.db2.gz GANMWSJMZIELAM-RGCMKSIDSA-N -1 1 386.460 1.169 20 0 GDADMM CC1(C)C(C(=O)NC[C@@H]2CCCCN2c2cnc(-c3nnn[n-]3)cn2)C1(C)C ZINC001575620759 950634332 /nfs/dbraw/zinc/63/43/32/950634332.db2.gz YYEJSLLHYZCJAF-LBPRGKRZSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C(C(=O)NC[C@@H]2CCCCN2c2cnc(-c3nn[n-]n3)cn2)C1(C)C ZINC001575620759 950634341 /nfs/dbraw/zinc/63/43/41/950634341.db2.gz YYEJSLLHYZCJAF-LBPRGKRZSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573873373 950643322 /nfs/dbraw/zinc/64/33/22/950643322.db2.gz LTINVPPYWGKEBP-JOCQHMNTSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573873373 950643339 /nfs/dbraw/zinc/64/33/39/950643339.db2.gz LTINVPPYWGKEBP-JOCQHMNTSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H](CN(C)C(=O)c1cccnc1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574760026 950654503 /nfs/dbraw/zinc/65/45/03/950654503.db2.gz SUPCXDLZUTUOAM-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CN(C)C(=O)c1cccnc1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574760026 950654511 /nfs/dbraw/zinc/65/45/11/950654511.db2.gz SUPCXDLZUTUOAM-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM CC1(C)CC(C(=O)N2CCC[C@H]3[C@@H]2CCN3c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575624142 950666203 /nfs/dbraw/zinc/66/62/03/950666203.db2.gz GZGHAMMPJZYPDP-GJZGRUSLSA-N -1 1 382.472 1.663 20 0 GDADMM CC1(C)CC(C(=O)N2CCC[C@H]3[C@@H]2CCN3c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575624142 950666214 /nfs/dbraw/zinc/66/62/14/950666214.db2.gz GZGHAMMPJZYPDP-GJZGRUSLSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1ccncc1 ZINC001575925470 950684056 /nfs/dbraw/zinc/68/40/56/950684056.db2.gz GZWZURPFLNQKJV-JSGCOSHPSA-N -1 1 379.428 1.086 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1ccncc1 ZINC001575925470 950684071 /nfs/dbraw/zinc/68/40/71/950684071.db2.gz GZWZURPFLNQKJV-JSGCOSHPSA-N -1 1 379.428 1.086 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccnc(C2CC2)c1 ZINC001575925693 950687781 /nfs/dbraw/zinc/68/77/81/950687781.db2.gz HXGLJEAHTDYTOF-RISCZKNCSA-N -1 1 391.439 1.644 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccnc(C2CC2)c1 ZINC001575925693 950687796 /nfs/dbraw/zinc/68/77/96/950687796.db2.gz HXGLJEAHTDYTOF-RISCZKNCSA-N -1 1 391.439 1.644 20 0 GDADMM CC1(C)[C@H](NC(=O)C2CCC2)[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)[C@H]21 ZINC001575625575 950690675 /nfs/dbraw/zinc/69/06/75/950690675.db2.gz SEUMGYIOYKMSPW-DAXOMENPSA-N -1 1 382.472 1.566 20 0 GDADMM CC1(C)[C@H](NC(=O)C2CCC2)[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)[C@H]21 ZINC001575625575 950690691 /nfs/dbraw/zinc/69/06/91/950690691.db2.gz SEUMGYIOYKMSPW-DAXOMENPSA-N -1 1 382.472 1.566 20 0 GDADMM CC(C)c1ncc(C(=O)N(C)C[C@@H](C)Nc2nccnc2-c2nnn[n-]2)s1 ZINC001574761135 950692455 /nfs/dbraw/zinc/69/24/55/950692455.db2.gz QZFHUDYARRATQV-SNVBAGLBSA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)c1ncc(C(=O)N(C)C[C@@H](C)Nc2nccnc2-c2nn[n-]n2)s1 ZINC001574761135 950692465 /nfs/dbraw/zinc/69/24/65/950692465.db2.gz QZFHUDYARRATQV-SNVBAGLBSA-N -1 1 387.473 1.809 20 0 GDADMM CC1(C)CC(C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575625622 950692758 /nfs/dbraw/zinc/69/27/58/950692758.db2.gz VKVJMXKGCXWZGB-KGLIPLIRSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccc(C2CC2)cn1 ZINC001575926610 950718009 /nfs/dbraw/zinc/71/80/09/950718009.db2.gz KQGZDXYXRRBHRV-RISCZKNCSA-N -1 1 391.439 1.644 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccc(C2CC2)cn1 ZINC001575926610 950718018 /nfs/dbraw/zinc/71/80/18/950718018.db2.gz KQGZDXYXRRBHRV-RISCZKNCSA-N -1 1 391.439 1.644 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccc(C(F)F)o1 ZINC001575926757 950723036 /nfs/dbraw/zinc/72/30/36/950723036.db2.gz LNJPKWHUTRGXLV-BDAKNGLRSA-N -1 1 390.354 1.902 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccc(C(F)F)o1 ZINC001575926757 950723049 /nfs/dbraw/zinc/72/30/49/950723049.db2.gz LNJPKWHUTRGXLV-BDAKNGLRSA-N -1 1 390.354 1.902 20 0 GDADMM C[C@@H](CNC(=O)c1cc2ccncc2s1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575006596 950724175 /nfs/dbraw/zinc/72/41/75/950724175.db2.gz WDCMSBSCYLRPIR-VIFPVBQESA-N -1 1 381.425 1.497 20 0 GDADMM C[C@@H](CNC(=O)c1cc2ccncc2s1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575006596 950724192 /nfs/dbraw/zinc/72/41/92/950724192.db2.gz WDCMSBSCYLRPIR-VIFPVBQESA-N -1 1 381.425 1.497 20 0 GDADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cccc(F)c1F ZINC001575927027 950730024 /nfs/dbraw/zinc/73/00/24/950730024.db2.gz ZSZDBURNZWOCKP-BXKDBHETSA-N -1 1 386.366 1.072 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cnn2ccccc12 ZINC001575927215 950738267 /nfs/dbraw/zinc/73/82/67/950738267.db2.gz OIBHSPZKIVZJQQ-DGCLKSJQSA-N -1 1 390.411 1.020 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cnn2ccccc12 ZINC001575927215 950738277 /nfs/dbraw/zinc/73/82/77/950738277.db2.gz OIBHSPZKIVZJQQ-DGCLKSJQSA-N -1 1 390.411 1.020 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cncc(Cl)c1 ZINC001575927641 950747991 /nfs/dbraw/zinc/74/79/91/950747991.db2.gz RFDXGPRSJWTLQD-BXKDBHETSA-N -1 1 385.819 1.420 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cncc(Cl)c1 ZINC001575927641 950748009 /nfs/dbraw/zinc/74/80/09/950748009.db2.gz RFDXGPRSJWTLQD-BXKDBHETSA-N -1 1 385.819 1.420 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C(F)F)CC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576216991 950750590 /nfs/dbraw/zinc/75/05/90/950750590.db2.gz FPWVRRXQSPCZTG-NXEZZACHSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C(F)F)CC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576216991 950750600 /nfs/dbraw/zinc/75/06/00/950750600.db2.gz FPWVRRXQSPCZTG-NXEZZACHSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001575927672 950751303 /nfs/dbraw/zinc/75/13/03/950751303.db2.gz RWNNXVBDQWMHKW-YEJMPBJOSA-N -1 1 380.456 1.350 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001575927672 950751319 /nfs/dbraw/zinc/75/13/19/950751319.db2.gz RWNNXVBDQWMHKW-YEJMPBJOSA-N -1 1 380.456 1.350 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cccc2c1CCC2 ZINC001575927776 950754896 /nfs/dbraw/zinc/75/48/96/950754896.db2.gz UFPIEQBZAUENLN-WBMJQRKESA-N -1 1 390.451 1.861 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cccc2c1CCC2 ZINC001575927776 950754903 /nfs/dbraw/zinc/75/49/03/950754903.db2.gz UFPIEQBZAUENLN-WBMJQRKESA-N -1 1 390.451 1.861 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576217774 950767122 /nfs/dbraw/zinc/76/71/22/950767122.db2.gz JESCVDZVNKEPLO-VHSXEESVSA-N -1 1 378.387 1.208 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576217774 950767133 /nfs/dbraw/zinc/76/71/33/950767133.db2.gz JESCVDZVNKEPLO-VHSXEESVSA-N -1 1 378.387 1.208 20 0 GDADMM C[C@H](CN(C)C(=O)c1csc(Cl)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001574765020 950770266 /nfs/dbraw/zinc/77/02/66/950770266.db2.gz BWAHMLACTYHPEC-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CN(C)C(=O)c1csc(Cl)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001574765020 950770277 /nfs/dbraw/zinc/77/02/77/950770277.db2.gz BWAHMLACTYHPEC-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM CC1(C)CC(C(=O)NCCC2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001575631185 950771107 /nfs/dbraw/zinc/77/11/07/950771107.db2.gz KOCVOQVHGSBOBC-UHFFFAOYSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C)CC(CC(=O)N[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)CC2(C)C)C1 ZINC001575632094 950786831 /nfs/dbraw/zinc/78/68/31/950786831.db2.gz ABOPIEUUIAQEDW-AWEZNQCLSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)CC(CC(=O)N[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)CC2(C)C)C1 ZINC001575632094 950786849 /nfs/dbraw/zinc/78/68/49/950786849.db2.gz ABOPIEUUIAQEDW-AWEZNQCLSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)c1ccccc1C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573884296 950791268 /nfs/dbraw/zinc/79/12/68/950791268.db2.gz MGLXQPBVJIBXTF-ZDUSSCGKSA-N -1 1 392.467 1.963 20 0 GDADMM CC(C)(C)c1ccccc1C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573884296 950791278 /nfs/dbraw/zinc/79/12/78/950791278.db2.gz MGLXQPBVJIBXTF-ZDUSSCGKSA-N -1 1 392.467 1.963 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576219577 950808705 /nfs/dbraw/zinc/80/87/05/950808705.db2.gz OKBFEXAGGXCUJP-KOLCDFICSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576219577 950808729 /nfs/dbraw/zinc/80/87/29/950808729.db2.gz OKBFEXAGGXCUJP-KOLCDFICSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)C(C)(C)C2(C)C)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576221125 950846028 /nfs/dbraw/zinc/84/60/28/950846028.db2.gz SZOYWPNZZUQTRX-AAEUAGOBSA-N -1 1 384.488 1.988 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)C(C)(C)C2(C)C)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576221125 950846057 /nfs/dbraw/zinc/84/60/57/950846057.db2.gz SZOYWPNZZUQTRX-AAEUAGOBSA-N -1 1 384.488 1.988 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)C(C)(C)C2(C)C)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576221127 950846927 /nfs/dbraw/zinc/84/69/27/950846927.db2.gz SZOYWPNZZUQTRX-WCQYABFASA-N -1 1 384.488 1.988 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)C(C)(C)C2(C)C)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576221127 950846946 /nfs/dbraw/zinc/84/69/46/950846946.db2.gz SZOYWPNZZUQTRX-WCQYABFASA-N -1 1 384.488 1.988 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ncoc1C(C)(C)C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574767463 950852258 /nfs/dbraw/zinc/85/22/58/950852258.db2.gz OTYVUPGHWRVZHL-JTQLQIEISA-N -1 1 385.432 1.515 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ncoc1C(C)(C)C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574767463 950852277 /nfs/dbraw/zinc/85/22/77/950852277.db2.gz OTYVUPGHWRVZHL-JTQLQIEISA-N -1 1 385.432 1.515 20 0 GDADMM C[C@@H](CN(C)C(=O)c1onc2c1CCCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574767415 950852985 /nfs/dbraw/zinc/85/29/85/950852985.db2.gz NZBXWIHZCFCYHO-JTQLQIEISA-N -1 1 383.416 1.096 20 0 GDADMM C[C@@H](CN(C)C(=O)c1onc2c1CCCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574767415 950853002 /nfs/dbraw/zinc/85/30/02/950853002.db2.gz NZBXWIHZCFCYHO-JTQLQIEISA-N -1 1 383.416 1.096 20 0 GDADMM CCOC(=O)C1C(CSCC(=O)[O-])=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC001590178682 950858034 /nfs/dbraw/zinc/85/80/34/950858034.db2.gz KDSQPAZPLMMDBI-OAHLLOKOSA-N -1 1 380.422 1.684 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)Cn2ccc(=O)c3ccccc32)n1 ZINC001573888012 950862569 /nfs/dbraw/zinc/86/25/69/950862569.db2.gz NQJVFIUYCOJLDA-UHFFFAOYSA-N -1 1 392.423 1.772 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)Cn2ccc(=O)c3ccccc32)n1 ZINC001573888012 950862586 /nfs/dbraw/zinc/86/25/86/950862586.db2.gz NQJVFIUYCOJLDA-UHFFFAOYSA-N -1 1 392.423 1.772 20 0 GDADMM CC(C)CCCC(=O)NC1(CNc2nccnc2-c2nnn[n-]2)CCOCC1 ZINC001574189132 950865188 /nfs/dbraw/zinc/86/51/88/950865188.db2.gz CFCDXUYLZVEUNW-UHFFFAOYSA-N -1 1 388.476 1.560 20 0 GDADMM CC(C)CCCC(=O)NC1(CNc2nccnc2-c2nn[n-]n2)CCOCC1 ZINC001574189132 950865203 /nfs/dbraw/zinc/86/52/03/950865203.db2.gz CFCDXUYLZVEUNW-UHFFFAOYSA-N -1 1 388.476 1.560 20 0 GDADMM CC1(C)C[C@H](NC(=O)C2=CCCC2)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575639349 950866605 /nfs/dbraw/zinc/86/66/05/950866605.db2.gz RHGCTGGAOZAZKH-CQSZACIVSA-N -1 1 382.472 1.878 20 0 GDADMM C[C@@H](CN(C)C(=O)c1sccc1Cl)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574767863 950867854 /nfs/dbraw/zinc/86/78/54/950867854.db2.gz QUNTXFZXVAOLON-QMMMGPOBSA-N -1 1 378.849 1.366 20 0 GDADMM CC1(C)C[C@H]1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)CC(C)(C)C1 ZINC001575639593 950872356 /nfs/dbraw/zinc/87/23/56/950872356.db2.gz TVTKRXNYMADUTK-STQMWFEESA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C[C@H]1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)CC(C)(C)C1 ZINC001575639593 950872373 /nfs/dbraw/zinc/87/23/73/950872373.db2.gz TVTKRXNYMADUTK-STQMWFEESA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)CCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001574189439 950882983 /nfs/dbraw/zinc/88/29/83/950882983.db2.gz KWMNTQLEGVAMFJ-ZNMIVQPWSA-N -1 1 384.488 1.957 20 0 GDADMM CC(C)CCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001574189439 950883003 /nfs/dbraw/zinc/88/30/03/950883003.db2.gz KWMNTQLEGVAMFJ-ZNMIVQPWSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@@H](CN(C)C(=O)c1csc(Cl)n1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574768625 950893054 /nfs/dbraw/zinc/89/30/54/950893054.db2.gz ZWKHSCDFNXUXCW-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CN(C)C(=O)c1csc(Cl)n1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574768625 950893065 /nfs/dbraw/zinc/89/30/65/950893065.db2.gz ZWKHSCDFNXUXCW-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H]1[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCN1C(=O)c1ccncn1 ZINC001575935759 950894177 /nfs/dbraw/zinc/89/41/77/950894177.db2.gz BEFLJJTZWATARE-SFYZADRCSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCN1C(=O)c1ccncn1 ZINC001575935759 950894186 /nfs/dbraw/zinc/89/41/86/950894186.db2.gz BEFLJJTZWATARE-SFYZADRCSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1CN(C(=O)C2(F)CCCC2)CC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576227133 950901931 /nfs/dbraw/zinc/90/19/31/950901931.db2.gz CGVVUJGLVIAAJV-QWHCGFSZSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@H]1CN(C(=O)C2(F)CCCC2)CC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576227133 950901946 /nfs/dbraw/zinc/90/19/46/950901946.db2.gz CGVVUJGLVIAAJV-QWHCGFSZSA-N -1 1 388.451 1.836 20 0 GDADMM CC1(C)C[C@H](NC(=O)c2cocn2)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575642366 950942909 /nfs/dbraw/zinc/94/29/09/950942909.db2.gz UBJPXXGUPUJGBI-LLVKDONJSA-N -1 1 383.416 1.070 20 0 GDADMM CC1(C)C[C@H](NC(=O)c2cocn2)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575642366 950942926 /nfs/dbraw/zinc/94/29/26/950942926.db2.gz UBJPXXGUPUJGBI-LLVKDONJSA-N -1 1 383.416 1.070 20 0 GDADMM C[C@@H]1CN(C(=O)C=Cc2ccco2)CC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576228867 950960283 /nfs/dbraw/zinc/96/02/83/950960283.db2.gz LKWPADGWLQZTHN-OWOXYTMYSA-N -1 1 380.412 1.612 20 0 GDADMM C[C@@H]1CN(C(=O)C=Cc2ccco2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576228867 950960296 /nfs/dbraw/zinc/96/02/96/950960296.db2.gz LKWPADGWLQZTHN-OWOXYTMYSA-N -1 1 380.412 1.612 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ocnc1C(F)F ZINC001575937724 950963231 /nfs/dbraw/zinc/96/32/31/950963231.db2.gz LLBULNQGMFEJFD-HTQZYQBOSA-N -1 1 391.342 1.297 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ocnc1C(F)F ZINC001575937724 950963252 /nfs/dbraw/zinc/96/32/52/950963252.db2.gz LLBULNQGMFEJFD-HTQZYQBOSA-N -1 1 391.342 1.297 20 0 GDADMM C[C@@H]1CN(C(=O)CC(C)(C)C2CC2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576229472 950969057 /nfs/dbraw/zinc/96/90/57/950969057.db2.gz NBXZUFIJAXQCNQ-OLZOCXBDSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H]1CN(C(=O)CC(C)(C)C2CC2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576229472 950969070 /nfs/dbraw/zinc/96/90/70/950969070.db2.gz NBXZUFIJAXQCNQ-OLZOCXBDSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573899948 950990410 /nfs/dbraw/zinc/99/04/10/950990410.db2.gz LPUFVAHCSTWKMT-KYZUINATSA-N -1 1 384.366 1.694 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573899948 950990425 /nfs/dbraw/zinc/99/04/25/950990425.db2.gz LPUFVAHCSTWKMT-KYZUINATSA-N -1 1 384.366 1.694 20 0 GDADMM CC(C)(CC(=O)Nc1c[nH]nc1-c1nn[n-]n1)NC(=O)OCc1ccccc1 ZINC001573900165 950998533 /nfs/dbraw/zinc/99/85/33/950998533.db2.gz SDIJGYHMYOHSBW-UHFFFAOYSA-N -1 1 384.400 1.623 20 0 GDADMM C[C@@H]1CN(C(=O)C2(c3ccccn3)CC2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576230329 950999047 /nfs/dbraw/zinc/99/90/47/950999047.db2.gz BIHFYFCBWGDZOM-TZMCWYRMSA-N -1 1 391.439 1.042 20 0 GDADMM C[C@@H]1CN(C(=O)C2(c3ccccn3)CC2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576230329 950999064 /nfs/dbraw/zinc/99/90/64/950999064.db2.gz BIHFYFCBWGDZOM-TZMCWYRMSA-N -1 1 391.439 1.042 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(C)(F)F)cc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575018633 951020327 /nfs/dbraw/zinc/02/03/27/951020327.db2.gz NMPHLIDOYPPMRR-JTQLQIEISA-N -1 1 388.382 1.999 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(C)(F)F)cc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575018633 951020344 /nfs/dbraw/zinc/02/03/44/951020344.db2.gz NMPHLIDOYPPMRR-JTQLQIEISA-N -1 1 388.382 1.999 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)c(Cl)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575022107 951070211 /nfs/dbraw/zinc/07/02/11/951070211.db2.gz HLDODUFFPYXFBU-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)c(Cl)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575022107 951070219 /nfs/dbraw/zinc/07/02/19/951070219.db2.gz HLDODUFFPYXFBU-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)c(F)c1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575022764 951072017 /nfs/dbraw/zinc/07/20/17/951072017.db2.gz JCYWHYFPQYVKKW-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)c(F)c1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575022764 951072030 /nfs/dbraw/zinc/07/20/30/951072030.db2.gz JCYWHYFPQYVKKW-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)C[C@@H](C)O2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575024315 951099324 /nfs/dbraw/zinc/09/93/24/951099324.db2.gz ASMJGEKCQMHGTO-GHMZBOCLSA-N -1 1 380.412 1.211 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)C[C@@H](C)O2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575024315 951099337 /nfs/dbraw/zinc/09/93/37/951099337.db2.gz ASMJGEKCQMHGTO-GHMZBOCLSA-N -1 1 380.412 1.211 20 0 GDADMM C[C@H](CNC(=O)c1ccc(N(C)C)cc1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575025074 951125419 /nfs/dbraw/zinc/12/54/19/951125419.db2.gz UIAUTKPOXWVPHQ-LBPRGKRZSA-N -1 1 381.444 1.201 20 0 GDADMM C[C@H](CNC(=O)c1ccc(N(C)C)cc1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575025074 951125425 /nfs/dbraw/zinc/12/54/25/951125425.db2.gz UIAUTKPOXWVPHQ-LBPRGKRZSA-N -1 1 381.444 1.201 20 0 GDADMM C[C@@H](CNC(=O)c1ccccc1C1(C)CC1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575029849 951189463 /nfs/dbraw/zinc/18/94/63/951189463.db2.gz YBPGMJUXGQEDPU-ZDUSSCGKSA-N -1 1 392.467 1.963 20 0 GDADMM C[C@@H](CNC(=O)c1ccccc1C1(C)CC1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575029849 951189470 /nfs/dbraw/zinc/18/94/70/951189470.db2.gz YBPGMJUXGQEDPU-ZDUSSCGKSA-N -1 1 392.467 1.963 20 0 GDADMM C[C@H](CNC(=O)c1cccnc1C1CC1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575031442 951194375 /nfs/dbraw/zinc/19/43/75/951194375.db2.gz AAQVBNAECIVCKU-LLVKDONJSA-N -1 1 379.428 1.184 20 0 GDADMM C[C@H](CNC(=O)c1cccnc1C1CC1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575031442 951194387 /nfs/dbraw/zinc/19/43/87/951194387.db2.gz AAQVBNAECIVCKU-LLVKDONJSA-N -1 1 379.428 1.184 20 0 GDADMM CC(C)Oc1ccccc1C(=O)NC[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575031675 951202403 /nfs/dbraw/zinc/20/24/03/951202403.db2.gz GOMPTHLSXQXIDF-LBPRGKRZSA-N -1 1 382.428 1.674 20 0 GDADMM CC(C)Oc1ccccc1C(=O)NC[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575031675 951202410 /nfs/dbraw/zinc/20/24/10/951202410.db2.gz GOMPTHLSXQXIDF-LBPRGKRZSA-N -1 1 382.428 1.674 20 0 GDADMM C[C@H](CNC(=O)c1cccn1C)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575032169 951218075 /nfs/dbraw/zinc/21/80/75/951218075.db2.gz SILMOMBHCQXREA-MRVPVSSYSA-N -1 1 380.865 1.793 20 0 GDADMM C[C@H](CNC(=O)c1cccn1C)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575032169 951218085 /nfs/dbraw/zinc/21/80/85/951218085.db2.gz SILMOMBHCQXREA-MRVPVSSYSA-N -1 1 380.865 1.793 20 0 GDADMM C[C@H](CNC(=O)c1cccnc1C1CC1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575032255 951220104 /nfs/dbraw/zinc/22/01/04/951220104.db2.gz VCMUOUCYJXBVNW-LLVKDONJSA-N -1 1 379.428 1.184 20 0 GDADMM C[C@H](CNC(=O)c1cccnc1C1CC1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575032255 951220109 /nfs/dbraw/zinc/22/01/09/951220109.db2.gz VCMUOUCYJXBVNW-LLVKDONJSA-N -1 1 379.428 1.184 20 0 GDADMM C[C@H](CNC(=O)c1ccnc(C2CC2)c1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575035964 951286193 /nfs/dbraw/zinc/28/61/93/951286193.db2.gz NCALIUYXWLWKJL-LLVKDONJSA-N -1 1 379.428 1.184 20 0 GDADMM C[C@H](CNC(=O)c1ccnc(C2CC2)c1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575035964 951286200 /nfs/dbraw/zinc/28/62/00/951286200.db2.gz NCALIUYXWLWKJL-LLVKDONJSA-N -1 1 379.428 1.184 20 0 GDADMM CC(C)c1ncc(C(=O)NC[C@H](C)CNc2ccc(-c3nnn[n-]3)nn2)s1 ZINC001575043935 951406328 /nfs/dbraw/zinc/40/63/28/951406328.db2.gz NBRQJPKDUFRUNI-SNVBAGLBSA-N -1 1 387.473 1.715 20 0 GDADMM CC(C)c1ncc(C(=O)NC[C@H](C)CNc2ccc(-c3nn[n-]n3)nn2)s1 ZINC001575043935 951406336 /nfs/dbraw/zinc/40/63/36/951406336.db2.gz NBRQJPKDUFRUNI-SNVBAGLBSA-N -1 1 387.473 1.715 20 0 GDADMM C[C@@H](CNC(=O)c1cnc(CC2CC2)s1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575045125 951425249 /nfs/dbraw/zinc/42/52/49/951425249.db2.gz ZNKOVBSQIOVRQE-VIFPVBQESA-N -1 1 385.457 1.296 20 0 GDADMM C[C@@H](CNC(=O)c1cnc(CC2CC2)s1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575045125 951425261 /nfs/dbraw/zinc/42/52/61/951425261.db2.gz ZNKOVBSQIOVRQE-VIFPVBQESA-N -1 1 385.457 1.296 20 0 GDADMM CC(C)(C)OC(=O)[C@](C)(O)CNCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001602874650 971750903 /nfs/dbraw/zinc/75/09/03/971750903.db2.gz UURFFYSPLUJEIX-ORAYPTAESA-N -1 1 382.457 1.763 20 0 GDADMM C[C@H](CNC(=O)c1coc(C(F)F)c1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575057032 951524363 /nfs/dbraw/zinc/52/43/63/951524363.db2.gz NYRGEABVTZEERL-MRVPVSSYSA-N -1 1 378.343 1.442 20 0 GDADMM C[C@H](CNC(=O)c1coc(C(F)F)c1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575057032 951524372 /nfs/dbraw/zinc/52/43/72/951524372.db2.gz NYRGEABVTZEERL-MRVPVSSYSA-N -1 1 378.343 1.442 20 0 GDADMM C[C@@H](CNC(=O)c1coc(C(F)F)c1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575057803 951530310 /nfs/dbraw/zinc/53/03/10/951530310.db2.gz QRPIAROXDJHEAF-QMMMGPOBSA-N -1 1 378.343 1.442 20 0 GDADMM C[C@@H](CNC(=O)c1coc(C(F)F)c1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575057803 951530318 /nfs/dbraw/zinc/53/03/18/951530318.db2.gz QRPIAROXDJHEAF-QMMMGPOBSA-N -1 1 378.343 1.442 20 0 GDADMM C[C@H](CNC(=O)c1nc(C(C)(C)C)cs1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575060682 951544837 /nfs/dbraw/zinc/54/48/37/951544837.db2.gz CZFRMTHOZHGZSZ-SECBINFHSA-N -1 1 387.473 1.641 20 0 GDADMM C[C@H](CNC(=O)c1nc(C(C)(C)C)cs1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575060682 951544841 /nfs/dbraw/zinc/54/48/41/951544841.db2.gz CZFRMTHOZHGZSZ-SECBINFHSA-N -1 1 387.473 1.641 20 0 GDADMM C[C@H](CNC(=O)c1ncsc1C1CC1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575064639 951577009 /nfs/dbraw/zinc/57/70/09/951577009.db2.gz BSTKMDITKSOJNG-VIFPVBQESA-N -1 1 385.457 1.469 20 0 GDADMM C[C@H](CNC(=O)c1ncsc1C1CC1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575064639 951577021 /nfs/dbraw/zinc/57/70/21/951577021.db2.gz BSTKMDITKSOJNG-VIFPVBQESA-N -1 1 385.457 1.469 20 0 GDADMM C[C@H](CNC(=O)c1ncccn1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575067712 951620809 /nfs/dbraw/zinc/62/08/09/951620809.db2.gz OQRUUFZXGYKWTF-SSDOTTSWSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@H](CNC(=O)c1ncccn1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575067712 951620815 /nfs/dbraw/zinc/62/08/15/951620815.db2.gz OQRUUFZXGYKWTF-SSDOTTSWSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1scnc1C(C)(C)C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575069378 951643855 /nfs/dbraw/zinc/64/38/55/951643855.db2.gz IECSGERORWYXPX-VIFPVBQESA-N -1 1 387.473 1.641 20 0 GDADMM C[C@@H](CNC(=O)c1scnc1C(C)(C)C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575069378 951643858 /nfs/dbraw/zinc/64/38/58/951643858.db2.gz IECSGERORWYXPX-VIFPVBQESA-N -1 1 387.473 1.641 20 0 GDADMM CC(C)c1ncsc1C(=O)NC[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575069619 951644944 /nfs/dbraw/zinc/64/49/44/951644944.db2.gz LCMZGCFGLWYJOO-JTQLQIEISA-N -1 1 387.473 1.715 20 0 GDADMM CC(C)c1ncsc1C(=O)NC[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575069619 951644949 /nfs/dbraw/zinc/64/49/49/951644949.db2.gz LCMZGCFGLWYJOO-JTQLQIEISA-N -1 1 387.473 1.715 20 0 GDADMM C[C@@H](CNC(=O)c1scnc1Cl)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575070524 951651710 /nfs/dbraw/zinc/65/17/10/951651710.db2.gz RBINCVJKTATZGW-SSDOTTSWSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1scnc1Cl)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575070524 951651713 /nfs/dbraw/zinc/65/17/13/951651713.db2.gz RBINCVJKTATZGW-SSDOTTSWSA-N -1 1 379.837 1.245 20 0 GDADMM O=C([O-])CN1CCC[C@@H](C(=O)Nc2nc3ccc(Br)cc3[nH]2)C1=O ZINC001595087479 951746444 /nfs/dbraw/zinc/74/64/44/951746444.db2.gz NZTPZNWYFYKSDR-VIFPVBQESA-N -1 1 395.213 1.587 20 0 GDADMM O=C([O-])CS(=O)(=O)CCN[C@@H]1CCCc2c1cnn2Cc1ccccc1 ZINC001595123805 951991549 /nfs/dbraw/zinc/99/15/49/951991549.db2.gz DBFMHBDOQLYZQR-MRXNPFEDSA-N -1 1 377.466 1.398 20 0 GDADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)C1CC(F)(F)C1)C1CC1 ZINC001575128602 952068579 /nfs/dbraw/zinc/06/85/79/952068579.db2.gz JWWOHHUMBIRTIY-HNNXBMFYSA-N -1 1 378.387 1.399 20 0 GDADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)C1CC(F)(F)C1)C1CC1 ZINC001575128602 952068586 /nfs/dbraw/zinc/06/85/86/952068586.db2.gz JWWOHHUMBIRTIY-HNNXBMFYSA-N -1 1 378.387 1.399 20 0 GDADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)Cc1cscn1)C1CC1 ZINC001575129052 952074527 /nfs/dbraw/zinc/07/45/27/952074527.db2.gz PTMSBIOOWGVMNU-INIZCTEOSA-N -1 1 385.457 1.053 20 0 GDADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)Cc1cscn1)C1CC1 ZINC001575129052 952074534 /nfs/dbraw/zinc/07/45/34/952074534.db2.gz PTMSBIOOWGVMNU-INIZCTEOSA-N -1 1 385.457 1.053 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1n[nH]c2ccccc21 ZINC001575134381 952110848 /nfs/dbraw/zinc/11/08/48/952110848.db2.gz HMKPRRUSHKHZSG-JTQLQIEISA-N -1 1 378.400 1.106 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)CCc1ccccc1F ZINC001575135886 952122556 /nfs/dbraw/zinc/12/25/56/952122556.db2.gz SUCMGXLZUDDNKW-LBPRGKRZSA-N -1 1 384.419 1.687 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)CCc1ccccc1F ZINC001575135886 952122561 /nfs/dbraw/zinc/12/25/61/952122561.db2.gz SUCMGXLZUDDNKW-LBPRGKRZSA-N -1 1 384.419 1.687 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cnc2cnccc2c1 ZINC001575136421 952126162 /nfs/dbraw/zinc/12/61/62/952126162.db2.gz PBLPAQOAEOJCQH-NSHDSACASA-N -1 1 390.411 1.173 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cnc2cnccc2c1 ZINC001575136421 952126167 /nfs/dbraw/zinc/12/61/67/952126167.db2.gz PBLPAQOAEOJCQH-NSHDSACASA-N -1 1 390.411 1.173 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cccc2cccnc21 ZINC001575136830 952128913 /nfs/dbraw/zinc/12/89/13/952128913.db2.gz XNHULCXCWNVDAO-GFCCVEGCSA-N -1 1 389.423 1.778 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cccc2cccnc21 ZINC001575136830 952128918 /nfs/dbraw/zinc/12/89/18/952128918.db2.gz XNHULCXCWNVDAO-GFCCVEGCSA-N -1 1 389.423 1.778 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)C1CCC(F)(F)CC1 ZINC001575136944 952131216 /nfs/dbraw/zinc/13/12/16/952131216.db2.gz YDAOBQOMBIEVTA-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)C1CCC(F)(F)CC1 ZINC001575136944 952131221 /nfs/dbraw/zinc/13/12/21/952131221.db2.gz YDAOBQOMBIEVTA-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cccc(C2CC2)c1 ZINC001575144069 952161714 /nfs/dbraw/zinc/16/17/14/952161714.db2.gz FVZRKUTXDWEUNY-LBPRGKRZSA-N -1 1 378.440 1.529 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc(F)c(Cl)c1 ZINC001575144576 952168005 /nfs/dbraw/zinc/16/80/05/952168005.db2.gz JBLYNLRYKAKAAL-VIFPVBQESA-N -1 1 390.810 1.444 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc2c(c1)CCC=C2 ZINC001575144711 952170715 /nfs/dbraw/zinc/17/07/15/952170715.db2.gz KQUJQCURDALEON-CYBMUJFWSA-N -1 1 390.451 1.611 20 0 GDADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)C1CC2(CCC2)C1)C1CC1 ZINC001575145644 952187357 /nfs/dbraw/zinc/18/73/57/952187357.db2.gz BVUQWRVMJYHIDS-SFHVURJKSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)C1CC2(CCC2)C1)C1CC1 ZINC001575145644 952187363 /nfs/dbraw/zinc/18/73/63/952187363.db2.gz BVUQWRVMJYHIDS-SFHVURJKSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)C1CC1 ZINC001575147134 952199148 /nfs/dbraw/zinc/19/91/48/952199148.db2.gz QVPFNTIAKGDUSS-CFNLKKDLSA-N -1 1 382.472 1.790 20 0 GDADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)C1CC1 ZINC001575147134 952199152 /nfs/dbraw/zinc/19/91/52/952199152.db2.gz QVPFNTIAKGDUSS-CFNLKKDLSA-N -1 1 382.472 1.790 20 0 GDADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)c1sccc1F)C1CC1 ZINC001575154006 952214399 /nfs/dbraw/zinc/21/43/99/952214399.db2.gz NLNKQGNPSXEZGV-INIZCTEOSA-N -1 1 388.432 1.868 20 0 GDADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)c1sccc1F)C1CC1 ZINC001575154006 952214409 /nfs/dbraw/zinc/21/44/09/952214409.db2.gz NLNKQGNPSXEZGV-INIZCTEOSA-N -1 1 388.432 1.868 20 0 GDADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)c1ccc(F)cc1)C1CC1 ZINC001575153985 952215089 /nfs/dbraw/zinc/21/50/89/952215089.db2.gz NBCHOJOLZHWTGO-SFHVURJKSA-N -1 1 382.403 1.806 20 0 GDADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)c1ccc(F)cc1)C1CC1 ZINC001575153985 952215090 /nfs/dbraw/zinc/21/50/90/952215090.db2.gz NBCHOJOLZHWTGO-SFHVURJKSA-N -1 1 382.403 1.806 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1nccc2cccnc21 ZINC001575156146 952249099 /nfs/dbraw/zinc/24/90/99/952249099.db2.gz CTTMQPLMVJUMFC-NSHDSACASA-N -1 1 390.411 1.173 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1nccc2cccnc21 ZINC001575156146 952249104 /nfs/dbraw/zinc/24/91/04/952249104.db2.gz CTTMQPLMVJUMFC-NSHDSACASA-N -1 1 390.411 1.173 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H]1COc2ccccc21 ZINC001575158542 952273891 /nfs/dbraw/zinc/27/38/91/952273891.db2.gz WGYCUVWSIBYAPF-AAEUAGOBSA-N -1 1 380.412 1.092 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1COc2ccccc21 ZINC001575158542 952273894 /nfs/dbraw/zinc/27/38/94/952273894.db2.gz WGYCUVWSIBYAPF-AAEUAGOBSA-N -1 1 380.412 1.092 20 0 GDADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)c1csnn1 ZINC001575165044 952301892 /nfs/dbraw/zinc/30/18/92/952301892.db2.gz JXVILSDYQRRLLT-RXMQYKEDSA-N -1 1 385.866 1.401 20 0 GDADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)c1ccn(C)c1 ZINC001575166711 952328356 /nfs/dbraw/zinc/32/83/56/952328356.db2.gz XOSCPSVIEBNTOL-QMMMGPOBSA-N -1 1 380.865 1.888 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)c1ccncn1 ZINC001575166795 952329758 /nfs/dbraw/zinc/32/97/58/952329758.db2.gz ZJPGXKXGIZDIHP-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)c1ccncn1 ZINC001575166795 952329764 /nfs/dbraw/zinc/32/97/64/952329764.db2.gz ZJPGXKXGIZDIHP-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)c1ccc(Cl)[nH]1)C1CC1 ZINC001575173884 952359994 /nfs/dbraw/zinc/35/99/94/952359994.db2.gz CDZCUNCBAIABDC-INIZCTEOSA-N -1 1 387.835 1.649 20 0 GDADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)c1ccc(Cl)[nH]1)C1CC1 ZINC001575173884 952360003 /nfs/dbraw/zinc/36/00/03/952360003.db2.gz CDZCUNCBAIABDC-INIZCTEOSA-N -1 1 387.835 1.649 20 0 GDADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)[C@H]1CCC(F)(F)C1)C1CC1 ZINC001575174082 952363043 /nfs/dbraw/zinc/36/30/43/952363043.db2.gz GRYSVRZXTPAUHV-QFYYESIMSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)[C@H]1CCC(F)(F)C1)C1CC1 ZINC001575174082 952363049 /nfs/dbraw/zinc/36/30/49/952363049.db2.gz GRYSVRZXTPAUHV-QFYYESIMSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)Cc1cscn1)C1CC1 ZINC001575175836 952389022 /nfs/dbraw/zinc/38/90/22/952389022.db2.gz YTQRBJWDHFQDSP-INIZCTEOSA-N -1 1 385.457 1.053 20 0 GDADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)Cc1cscn1)C1CC1 ZINC001575175836 952389027 /nfs/dbraw/zinc/38/90/27/952389027.db2.gz YTQRBJWDHFQDSP-INIZCTEOSA-N -1 1 385.457 1.053 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cccc(N(C)C)c1 ZINC001575178157 952404516 /nfs/dbraw/zinc/40/45/16/952404516.db2.gz KYPZHACWCHPUAP-GFCCVEGCSA-N -1 1 381.444 1.295 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cccc(N(C)C)c1 ZINC001575178157 952404522 /nfs/dbraw/zinc/40/45/22/952404522.db2.gz KYPZHACWCHPUAP-GFCCVEGCSA-N -1 1 381.444 1.295 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ccc(C2CC2)cn1 ZINC001575179531 952412475 /nfs/dbraw/zinc/41/24/75/952412475.db2.gz PZDNZGHNYJPKRU-LLVKDONJSA-N -1 1 379.428 1.502 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ccc(C2CC2)cn1 ZINC001575179531 952412481 /nfs/dbraw/zinc/41/24/81/952412481.db2.gz PZDNZGHNYJPKRU-LLVKDONJSA-N -1 1 379.428 1.502 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cccnc1C1CC1 ZINC001575180544 952418416 /nfs/dbraw/zinc/41/84/16/952418416.db2.gz VTYZSYVNYLHXST-NSHDSACASA-N -1 1 379.428 1.502 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cccnc1C1CC1 ZINC001575180544 952418423 /nfs/dbraw/zinc/41/84/23/952418423.db2.gz VTYZSYVNYLHXST-NSHDSACASA-N -1 1 379.428 1.502 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H](C)Cc1cccc(F)c1 ZINC001575187479 952441586 /nfs/dbraw/zinc/44/15/86/952441586.db2.gz CCVTXVLOYPAYJL-NWDGAFQWSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H](C)Cc1cccc(F)c1 ZINC001575187479 952441591 /nfs/dbraw/zinc/44/15/91/952441591.db2.gz CCVTXVLOYPAYJL-NWDGAFQWSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H](C)Cc1ccc(F)cc1 ZINC001575188891 952451621 /nfs/dbraw/zinc/45/16/21/952451621.db2.gz KSYBYUBEHRJLCZ-VXGBXAGGSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H](C)Cc1ccc(F)cc1 ZINC001575188891 952451625 /nfs/dbraw/zinc/45/16/25/952451625.db2.gz KSYBYUBEHRJLCZ-VXGBXAGGSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575197117 952479765 /nfs/dbraw/zinc/47/97/65/952479765.db2.gz NRBKMPYBAWGXLB-KPZWWZAWSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575197117 952479767 /nfs/dbraw/zinc/47/97/67/952479767.db2.gz NRBKMPYBAWGXLB-KPZWWZAWSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575197376 952483599 /nfs/dbraw/zinc/48/35/99/952483599.db2.gz VBCVCNGXMAFTSL-UPJWGTAASA-N -1 1 382.428 1.435 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575197376 952483602 /nfs/dbraw/zinc/48/36/02/952483602.db2.gz VBCVCNGXMAFTSL-UPJWGTAASA-N -1 1 382.428 1.435 20 0 GDADMM CC(C)(C)OC(=O)N1CCC(CC(=O)Nc2n[nH]cc2-c2nnn[n-]2)CC1 ZINC001571120683 952507013 /nfs/dbraw/zinc/50/70/13/952507013.db2.gz PMFHQOHJUYRKIT-UHFFFAOYSA-N -1 1 376.421 1.566 20 0 GDADMM CC(C)(C)OC(=O)N1CCC(CC(=O)Nc2n[nH]cc2-c2nn[n-]n2)CC1 ZINC001571120683 952507017 /nfs/dbraw/zinc/50/70/17/952507017.db2.gz PMFHQOHJUYRKIT-UHFFFAOYSA-N -1 1 376.421 1.566 20 0 GDADMM CS[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001571122776 952526407 /nfs/dbraw/zinc/52/64/07/952526407.db2.gz KUDBMUVLWBLZIA-GRYCIOLGSA-N -1 1 376.490 1.305 20 0 GDADMM CS[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001571122776 952526413 /nfs/dbraw/zinc/52/64/13/952526413.db2.gz KUDBMUVLWBLZIA-GRYCIOLGSA-N -1 1 376.490 1.305 20 0 GDADMM CC[C@H](SC)C(=O)N1CC[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571123051 952528050 /nfs/dbraw/zinc/52/80/50/952528050.db2.gz MRJKGEVOKMZTFK-AAEUAGOBSA-N -1 1 376.490 1.449 20 0 GDADMM CC[C@H](SC)C(=O)N1CC[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571123051 952528056 /nfs/dbraw/zinc/52/80/56/952528056.db2.gz MRJKGEVOKMZTFK-AAEUAGOBSA-N -1 1 376.490 1.449 20 0 GDADMM O=C([C@H]1C[C@@H]1c1ccccc1)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571123653 952530447 /nfs/dbraw/zinc/53/04/47/952530447.db2.gz SSJOOYNRQKAWMI-CABCVRRESA-N -1 1 376.424 1.109 20 0 GDADMM O=C([C@H]1C[C@@H]1c1ccccc1)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571123653 952530452 /nfs/dbraw/zinc/53/04/52/952530452.db2.gz SSJOOYNRQKAWMI-CABCVRRESA-N -1 1 376.424 1.109 20 0 GDADMM O=C(c1cccc2c1CCC2)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571123664 952530690 /nfs/dbraw/zinc/53/06/90/952530690.db2.gz SYBSTNTZBWBOHB-CYBMUJFWSA-N -1 1 376.424 1.472 20 0 GDADMM O=C(c1cccc2c1CCC2)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571123664 952530694 /nfs/dbraw/zinc/53/06/94/952530694.db2.gz SYBSTNTZBWBOHB-CYBMUJFWSA-N -1 1 376.424 1.472 20 0 GDADMM CN([C@H](CO)c1ccccc1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC001571124824 952545565 /nfs/dbraw/zinc/54/55/65/952545565.db2.gz VUGNEXOMVNFYHY-CYBMUJFWSA-N -1 1 377.401 1.360 20 0 GDADMM CN([C@H](CO)c1ccccc1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC001571124824 952545569 /nfs/dbraw/zinc/54/55/69/952545569.db2.gz VUGNEXOMVNFYHY-CYBMUJFWSA-N -1 1 377.401 1.360 20 0 GDADMM CO[C@@H]1CCC[C@H]1C(=O)N1CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001571127323 952554335 /nfs/dbraw/zinc/55/43/35/952554335.db2.gz CWQICCVOKAAVFD-VXGBXAGGSA-N -1 1 377.474 1.095 20 0 GDADMM CC(=O)NC[C@@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)CCC1(F)F ZINC001571127422 952555401 /nfs/dbraw/zinc/55/54/01/952555401.db2.gz GYRJFTCTGZUNBD-SSDOTTSWSA-N -1 1 377.808 1.574 20 0 GDADMM CC(=O)NC[C@@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)CCC1(F)F ZINC001571127422 952555404 /nfs/dbraw/zinc/55/54/04/952555404.db2.gz GYRJFTCTGZUNBD-SSDOTTSWSA-N -1 1 377.808 1.574 20 0 GDADMM O=S(=O)(c1ccsc1-c1nn[n-]n1)N1CCCC[C@@H]1c1ncccn1 ZINC001571127855 952560745 /nfs/dbraw/zinc/56/07/45/952560745.db2.gz KRVSIYLLMCWFMO-SNVBAGLBSA-N -1 1 377.455 1.634 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001575214102 952561007 /nfs/dbraw/zinc/56/10/07/952561007.db2.gz HNMNERFGPJTWFP-PHIMTYICSA-N -1 1 392.414 1.518 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001575214102 952561010 /nfs/dbraw/zinc/56/10/10/952561010.db2.gz HNMNERFGPJTWFP-PHIMTYICSA-N -1 1 392.414 1.518 20 0 GDADMM O=C(NC[C@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCC1(F)F ZINC001571129171 952573088 /nfs/dbraw/zinc/57/30/88/952573088.db2.gz AVOCTTZEKCVCQQ-GHMZBOCLSA-N -1 1 378.387 1.177 20 0 GDADMM O=C(NC[C@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCC1(F)F ZINC001571129171 952573091 /nfs/dbraw/zinc/57/30/91/952573091.db2.gz AVOCTTZEKCVCQQ-GHMZBOCLSA-N -1 1 378.387 1.177 20 0 GDADMM CCN(C(=O)[C@@H]1CCC1(F)F)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571130457 952579537 /nfs/dbraw/zinc/57/95/37/952579537.db2.gz RCIYAVAYVRCIST-MNOVXSKESA-N -1 1 378.387 1.129 20 0 GDADMM O=C([C@H]1CC1(F)F)N1CCCC[C@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001571130890 952582660 /nfs/dbraw/zinc/58/26/60/952582660.db2.gz XSHLGHWKRMYTTI-WDEREUQCSA-N -1 1 378.387 1.495 20 0 GDADMM O=C([C@H]1CC1(F)F)N1CCCC[C@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001571130890 952582663 /nfs/dbraw/zinc/58/26/63/952582663.db2.gz XSHLGHWKRMYTTI-WDEREUQCSA-N -1 1 378.387 1.495 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1 ZINC001571134752 952594755 /nfs/dbraw/zinc/59/47/55/952594755.db2.gz LAGZVZREYKRFJX-DZGCQCFKSA-N -1 1 378.440 1.498 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1 ZINC001571134752 952594759 /nfs/dbraw/zinc/59/47/59/952594759.db2.gz LAGZVZREYKRFJX-DZGCQCFKSA-N -1 1 378.440 1.498 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)c(C)c1 ZINC001571135240 952601345 /nfs/dbraw/zinc/60/13/45/952601345.db2.gz UIWIYZTWZPAFPB-AWEZNQCLSA-N -1 1 378.440 1.990 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)c(C)c1 ZINC001571135240 952601348 /nfs/dbraw/zinc/60/13/48/952601348.db2.gz UIWIYZTWZPAFPB-AWEZNQCLSA-N -1 1 378.440 1.990 20 0 GDADMM CCOCc1nc([C@@H](C)NC(=O)NCc2ccc(-c3nn[n-]n3)s2)no1 ZINC001571137006 952618189 /nfs/dbraw/zinc/61/81/89/952618189.db2.gz ZLHICMKTDCAUQU-MRVPVSSYSA-N -1 1 378.418 1.408 20 0 GDADMM C[C@@H](OC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1)c1cccc(OC(F)F)c1 ZINC001571139314 952620051 /nfs/dbraw/zinc/62/00/51/952620051.db2.gz FRVMOMKFMNIQRD-DTWKUNHWSA-N -1 1 379.327 1.925 20 0 GDADMM CS(=O)(=O)c1cccc(Cl)c1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001571141660 952634528 /nfs/dbraw/zinc/63/45/28/952634528.db2.gz JTUWENOUVWMCFZ-UHFFFAOYSA-N -1 1 378.801 1.571 20 0 GDADMM CS(=O)(=O)c1cccc(Cl)c1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001571141660 952634535 /nfs/dbraw/zinc/63/45/35/952634535.db2.gz JTUWENOUVWMCFZ-UHFFFAOYSA-N -1 1 378.801 1.571 20 0 GDADMM Cc1cc(CNC(=O)Nc2ccc(Br)c(-c3nnn[n-]3)n2)no1 ZINC001571141963 952637874 /nfs/dbraw/zinc/63/78/74/952637874.db2.gz LWOBVZVUSNKWLM-UHFFFAOYSA-N -1 1 379.178 1.642 20 0 GDADMM Cc1cc(CNC(=O)Nc2ccc(Br)c(-c3nn[n-]n3)n2)no1 ZINC001571141963 952637875 /nfs/dbraw/zinc/63/78/75/952637875.db2.gz LWOBVZVUSNKWLM-UHFFFAOYSA-N -1 1 379.178 1.642 20 0 GDADMM O=C(NC[C@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1)C1C=CC=CC=C1 ZINC001571141994 952638344 /nfs/dbraw/zinc/63/83/44/952638344.db2.gz MTZQLRJAFQQFSY-OAHLLOKOSA-N -1 1 378.440 1.430 20 0 GDADMM O=C(NC[C@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1)C1C=CC=CC=C1 ZINC001571141994 952638352 /nfs/dbraw/zinc/63/83/52/952638352.db2.gz MTZQLRJAFQQFSY-OAHLLOKOSA-N -1 1 378.440 1.430 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C1C=CC=CC=C1 ZINC001571142758 952646101 /nfs/dbraw/zinc/64/61/01/952646101.db2.gz XQYAMCGMSORMQY-HNNXBMFYSA-N -1 1 378.440 1.430 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C1C=CC=CC=C1 ZINC001571142758 952646105 /nfs/dbraw/zinc/64/61/05/952646105.db2.gz XQYAMCGMSORMQY-HNNXBMFYSA-N -1 1 378.440 1.430 20 0 GDADMM O=C(c1ccc[nH]1)N1CCC2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001571146598 952650348 /nfs/dbraw/zinc/65/03/48/952650348.db2.gz JKHUCBFYYWJRDL-UHFFFAOYSA-N -1 1 379.428 1.118 20 0 GDADMM O=C(c1ccc[nH]1)N1CCC2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001571146598 952650350 /nfs/dbraw/zinc/65/03/50/952650350.db2.gz JKHUCBFYYWJRDL-UHFFFAOYSA-N -1 1 379.428 1.118 20 0 GDADMM CCc1cccc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H]2C)n1 ZINC001571146653 952650910 /nfs/dbraw/zinc/65/09/10/952650910.db2.gz AEJOKHYBJGELBM-AAEUAGOBSA-N -1 1 379.428 1.329 20 0 GDADMM CCc1cccc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H]2C)n1 ZINC001571146653 952650913 /nfs/dbraw/zinc/65/09/13/952650913.db2.gz AEJOKHYBJGELBM-AAEUAGOBSA-N -1 1 379.428 1.329 20 0 GDADMM C[C@H]1CN(C(=O)c2c[nH]cc2C2CC2)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571147128 952657781 /nfs/dbraw/zinc/65/77/81/952657781.db2.gz GWGNMQJUCUKFIA-BONVTDFDSA-N -1 1 379.428 1.435 20 0 GDADMM C[C@H]1CN(C(=O)c2c[nH]cc2C2CC2)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571147128 952657785 /nfs/dbraw/zinc/65/77/85/952657785.db2.gz GWGNMQJUCUKFIA-BONVTDFDSA-N -1 1 379.428 1.435 20 0 GDADMM CC(C)c1ccc(C(=O)N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)nc1 ZINC001571147342 952660434 /nfs/dbraw/zinc/66/04/34/952660434.db2.gz KEDDLUAMFMXMGZ-UHFFFAOYSA-N -1 1 379.428 1.138 20 0 GDADMM CC(C)c1ccc(C(=O)N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)nc1 ZINC001571147342 952660435 /nfs/dbraw/zinc/66/04/35/952660435.db2.gz KEDDLUAMFMXMGZ-UHFFFAOYSA-N -1 1 379.428 1.138 20 0 GDADMM O=C(Cn1ccc(-c2nn[n-]n2)cc1=O)Nc1ccc(OC(F)(F)F)cc1 ZINC001571152060 952681561 /nfs/dbraw/zinc/68/15/61/952681561.db2.gz CDWHXYBERVRFGE-UHFFFAOYSA-N -1 1 380.286 1.566 20 0 GDADMM O=C(N[C@@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1)C1(C2CC2)CC1 ZINC001571152623 952683476 /nfs/dbraw/zinc/68/34/76/952683476.db2.gz IBQWQJKZOQRAOV-SECBINFHSA-N -1 1 379.877 1.862 20 0 GDADMM O=C(N[C@@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1)C1(C2CC2)CC1 ZINC001571152623 952683478 /nfs/dbraw/zinc/68/34/78/952683478.db2.gz IBQWQJKZOQRAOV-SECBINFHSA-N -1 1 379.877 1.862 20 0 GDADMM Cc1occc1C(=O)N[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571153281 952685264 /nfs/dbraw/zinc/68/52/64/952685264.db2.gz MYMJXUVTSRFCEU-QMMMGPOBSA-N -1 1 379.833 1.887 20 0 GDADMM Cc1occc1C(=O)N[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571153281 952685266 /nfs/dbraw/zinc/68/52/66/952685266.db2.gz MYMJXUVTSRFCEU-QMMMGPOBSA-N -1 1 379.833 1.887 20 0 GDADMM Cn1cncc1C(=O)N1CC[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571153364 952686412 /nfs/dbraw/zinc/68/64/12/952686412.db2.gz PRXZMWFPVLNESD-ZETCQYMHSA-N -1 1 379.837 1.037 20 0 GDADMM O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)c1nc[n-]c(=O)c1Br ZINC001571153983 952689303 /nfs/dbraw/zinc/68/93/03/952689303.db2.gz XSUNSUGBCTXEKV-UHFFFAOYSA-N -1 1 380.137 1.516 20 0 GDADMM COCc1ccc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)cc1 ZINC001571155073 952692536 /nfs/dbraw/zinc/69/25/36/952692536.db2.gz GQZRCGKLNCVJEV-CQSZACIVSA-N -1 1 380.412 1.130 20 0 GDADMM COCc1ccc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)cc1 ZINC001571155073 952692540 /nfs/dbraw/zinc/69/25/40/952692540.db2.gz GQZRCGKLNCVJEV-CQSZACIVSA-N -1 1 380.412 1.130 20 0 GDADMM Cc1cc(C)nc(C(=O)N2CC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571156016 952701110 /nfs/dbraw/zinc/70/11/10/952701110.db2.gz AVPIKANOMJAULE-CYBMUJFWSA-N -1 1 379.428 1.243 20 0 GDADMM Cc1cc(C)nc(C(=O)N2CC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571156016 952701117 /nfs/dbraw/zinc/70/11/17/952701117.db2.gz AVPIKANOMJAULE-CYBMUJFWSA-N -1 1 379.428 1.243 20 0 GDADMM Cc1cnc(C(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C[C@@H]2C)cc1C ZINC001571156025 952701243 /nfs/dbraw/zinc/70/12/43/952701243.db2.gz AXIDPCBRPPGXQJ-QWHCGFSZSA-N -1 1 379.428 1.384 20 0 GDADMM Cc1cnc(C(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C[C@@H]2C)cc1C ZINC001571156025 952701247 /nfs/dbraw/zinc/70/12/47/952701247.db2.gz AXIDPCBRPPGXQJ-QWHCGFSZSA-N -1 1 379.428 1.384 20 0 GDADMM Cc1cnc(C(=O)N(C)[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c(C)c1 ZINC001571156010 952701469 /nfs/dbraw/zinc/70/14/69/952701469.db2.gz ASSCYSMFWMHUSX-ZDUSSCGKSA-N -1 1 379.428 1.019 20 0 GDADMM Cc1ccncc1C(=O)N[C@H]1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571157094 952705613 /nfs/dbraw/zinc/70/56/13/952705613.db2.gz MJKWNGVSIASCEM-OCCSQVGLSA-N -1 1 379.428 1.371 20 0 GDADMM Cc1ccncc1C(=O)N[C@H]1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571157094 952705618 /nfs/dbraw/zinc/70/56/18/952705618.db2.gz MJKWNGVSIASCEM-OCCSQVGLSA-N -1 1 379.428 1.371 20 0 GDADMM Cc1ccncc1C(=O)N[C@@H]1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571157090 952705950 /nfs/dbraw/zinc/70/59/50/952705950.db2.gz MJKWNGVSIASCEM-GXTWGEPZSA-N -1 1 379.428 1.371 20 0 GDADMM Cc1ccncc1C(=O)N[C@@H]1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571157090 952705954 /nfs/dbraw/zinc/70/59/54/952705954.db2.gz MJKWNGVSIASCEM-GXTWGEPZSA-N -1 1 379.428 1.371 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@@H]([C@H](C)Nc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571158108 952709860 /nfs/dbraw/zinc/70/98/60/952709860.db2.gz QZQZDZQBAJMWGA-QWHCGFSZSA-N -1 1 379.428 1.323 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@@H]([C@H](C)Nc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571158108 952709867 /nfs/dbraw/zinc/70/98/67/952709867.db2.gz QZQZDZQBAJMWGA-QWHCGFSZSA-N -1 1 379.428 1.323 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@@H]([C@@H](C)Nc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571158103 952710090 /nfs/dbraw/zinc/71/00/90/952710090.db2.gz QZQZDZQBAJMWGA-CHWSQXEVSA-N -1 1 379.428 1.323 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@@H]([C@@H](C)Nc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571158103 952710094 /nfs/dbraw/zinc/71/00/94/952710094.db2.gz QZQZDZQBAJMWGA-CHWSQXEVSA-N -1 1 379.428 1.323 20 0 GDADMM COc1cc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)ccc1C ZINC001571158459 952711389 /nfs/dbraw/zinc/71/13/89/952711389.db2.gz IGKUUYRUEVMHGS-CYBMUJFWSA-N -1 1 380.412 1.300 20 0 GDADMM COc1cc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)ccc1C ZINC001571158459 952711393 /nfs/dbraw/zinc/71/13/93/952711393.db2.gz IGKUUYRUEVMHGS-CYBMUJFWSA-N -1 1 380.412 1.300 20 0 GDADMM COc1ccc(C(=O)N2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C[C@@H]2C)cc1 ZINC001571158299 952711819 /nfs/dbraw/zinc/71/18/19/952711819.db2.gz GLKDDXFROLROHG-AAEUAGOBSA-N -1 1 380.412 1.380 20 0 GDADMM COc1ccc(C(=O)N2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C[C@@H]2C)cc1 ZINC001571158299 952711823 /nfs/dbraw/zinc/71/18/23/952711823.db2.gz GLKDDXFROLROHG-AAEUAGOBSA-N -1 1 380.412 1.380 20 0 GDADMM Cc1cccnc1C(=O)N[C@H]1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571159776 952721977 /nfs/dbraw/zinc/72/19/77/952721977.db2.gz WONAPCHWADWWKA-OLZOCXBDSA-N -1 1 379.428 1.371 20 0 GDADMM Cc1cccnc1C(=O)N[C@H]1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571159776 952721984 /nfs/dbraw/zinc/72/19/84/952721984.db2.gz WONAPCHWADWWKA-OLZOCXBDSA-N -1 1 379.428 1.371 20 0 GDADMM Cc1cnc(C(=O)N2CCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)cc1C ZINC001571160249 952724035 /nfs/dbraw/zinc/72/40/35/952724035.db2.gz XKVBXLFFJSLYLQ-CYBMUJFWSA-N -1 1 379.428 1.385 20 0 GDADMM Cc1cnc(C(=O)N2CCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)cc1C ZINC001571160249 952724038 /nfs/dbraw/zinc/72/40/38/952724038.db2.gz XKVBXLFFJSLYLQ-CYBMUJFWSA-N -1 1 379.428 1.385 20 0 GDADMM Cc1ccncc1CC(=O)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571160326 952725417 /nfs/dbraw/zinc/72/54/17/952725417.db2.gz YLOZGVDQDCARPA-AWEZNQCLSA-N -1 1 379.428 1.006 20 0 GDADMM Cc1ccncc1CC(=O)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571160326 952725419 /nfs/dbraw/zinc/72/54/19/952725419.db2.gz YLOZGVDQDCARPA-AWEZNQCLSA-N -1 1 379.428 1.006 20 0 GDADMM O=C(Cc1ccoc1)N[C@@]12CCC[C@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001571160504 952726713 /nfs/dbraw/zinc/72/67/13/952726713.db2.gz INQPVEYOQPICHU-RDTXWAMCSA-N -1 1 380.412 1.110 20 0 GDADMM O=C(Cc1ccoc1)N[C@@]12CCC[C@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001571160504 952726719 /nfs/dbraw/zinc/72/67/19/952726719.db2.gz INQPVEYOQPICHU-RDTXWAMCSA-N -1 1 380.412 1.110 20 0 GDADMM O=C(c1cnc(C2CC2)o1)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571178610 952845445 /nfs/dbraw/zinc/84/54/45/952845445.db2.gz OTYIDBMAPSVXBW-NSHDSACASA-N -1 1 381.400 1.239 20 0 GDADMM O=C(c1cnc(C2CC2)o1)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571178610 952845448 /nfs/dbraw/zinc/84/54/48/952845448.db2.gz OTYIDBMAPSVXBW-NSHDSACASA-N -1 1 381.400 1.239 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cc[nH]c2)[C@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001571183703 952881831 /nfs/dbraw/zinc/88/18/31/952881831.db2.gz HVTRRRNAEIOXAI-DOMZBBRYSA-N -1 1 381.444 1.728 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cc[nH]c2)[C@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001571183703 952881835 /nfs/dbraw/zinc/88/18/35/952881835.db2.gz HVTRRRNAEIOXAI-DOMZBBRYSA-N -1 1 381.444 1.728 20 0 GDADMM CCc1[nH]ccc1C(=O)N[C@]1(C)CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571184142 952888446 /nfs/dbraw/zinc/88/84/46/952888446.db2.gz RMMAMXQRZWNQFF-GOSISDBHSA-N -1 1 381.444 1.254 20 0 GDADMM CCc1[nH]ccc1C(=O)N[C@]1(C)CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571184142 952888450 /nfs/dbraw/zinc/88/84/50/952888450.db2.gz RMMAMXQRZWNQFF-GOSISDBHSA-N -1 1 381.444 1.254 20 0 GDADMM Cc1[nH]ccc1C(=O)N[C@@H](C)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571185015 952898929 /nfs/dbraw/zinc/89/89/29/952898929.db2.gz GSKFCIQKCSJFIW-AAEUAGOBSA-N -1 1 381.444 1.328 20 0 GDADMM Cc1[nH]ccc1C(=O)N[C@@H](C)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571185015 952898936 /nfs/dbraw/zinc/89/89/36/952898936.db2.gz GSKFCIQKCSJFIW-AAEUAGOBSA-N -1 1 381.444 1.328 20 0 GDADMM CCn1cccc1C(=O)N[C@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571185150 952900264 /nfs/dbraw/zinc/90/02/64/952900264.db2.gz IVXVEZRCNDBQRB-STQMWFEESA-N -1 1 381.444 1.489 20 0 GDADMM CCn1cccc1C(=O)N[C@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571185150 952900265 /nfs/dbraw/zinc/90/02/65/952900265.db2.gz IVXVEZRCNDBQRB-STQMWFEESA-N -1 1 381.444 1.489 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CCC[C@H](C)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571185247 952900863 /nfs/dbraw/zinc/90/08/63/952900863.db2.gz JZFVBCKKDWZRRK-FZMZJTMJSA-N -1 1 381.444 1.646 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CCC[C@H](C)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571185247 952900867 /nfs/dbraw/zinc/90/08/67/952900867.db2.gz JZFVBCKKDWZRRK-FZMZJTMJSA-N -1 1 381.444 1.646 20 0 GDADMM Cc1c(C(=O)N2CCC[C@H](N(C)c3ccc(-c4nnn[n-]4)nn3)C2)ccn1C ZINC001571185222 952901148 /nfs/dbraw/zinc/90/11/48/952901148.db2.gz JQXACTGQTFNCAP-ZDUSSCGKSA-N -1 1 381.444 1.045 20 0 GDADMM Cc1c(C(=O)N2CCC[C@H](N(C)c3ccc(-c4nn[n-]n4)nn3)C2)ccn1C ZINC001571185222 952901151 /nfs/dbraw/zinc/90/11/51/952901151.db2.gz JQXACTGQTFNCAP-ZDUSSCGKSA-N -1 1 381.444 1.045 20 0 GDADMM CC[C@H](CNC(=O)NCc1nc(-c2nnn[n-]2)cs1)C(=O)OC(C)(C)C ZINC001571189012 952922806 /nfs/dbraw/zinc/92/28/06/952922806.db2.gz LXVPHGIYNYJXFS-SECBINFHSA-N -1 1 381.462 1.490 20 0 GDADMM CC[C@H](CNC(=O)NCc1nc(-c2nn[n-]n2)cs1)C(=O)OC(C)(C)C ZINC001571189012 952922811 /nfs/dbraw/zinc/92/28/11/952922811.db2.gz LXVPHGIYNYJXFS-SECBINFHSA-N -1 1 381.462 1.490 20 0 GDADMM Cn1ccc(C(=O)N2CCC[C@H](CCNc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571189196 952926351 /nfs/dbraw/zinc/92/63/51/952926351.db2.gz OLWJZHWPUSSXPC-CYBMUJFWSA-N -1 1 381.444 1.350 20 0 GDADMM Cn1ccc(C(=O)N2CCC[C@H](CCNc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571189196 952926364 /nfs/dbraw/zinc/92/63/64/952926364.db2.gz OLWJZHWPUSSXPC-CYBMUJFWSA-N -1 1 381.444 1.350 20 0 GDADMM O=C(N1CC[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1)[C@]12C[C@H]1COC2 ZINC001571190045 952938752 /nfs/dbraw/zinc/93/87/52/952938752.db2.gz DBAAPZFUGWCABN-GIHMMQTOSA-N -1 1 381.849 1.026 20 0 GDADMM O=C(N1CC[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1)[C@]12C[C@H]1COC2 ZINC001571190045 952938755 /nfs/dbraw/zinc/93/87/55/952938755.db2.gz DBAAPZFUGWCABN-GIHMMQTOSA-N -1 1 381.849 1.026 20 0 GDADMM O=C(C1CC1)N1CC[C@H](C(F)(F)F)[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571194396 952962227 /nfs/dbraw/zinc/96/22/27/952962227.db2.gz LKJMCVZPTJYKSX-ONGXEEELSA-N -1 1 382.350 1.258 20 0 GDADMM O=C(C1CC1)N1CC[C@H](C(F)(F)F)[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571194396 952962229 /nfs/dbraw/zinc/96/22/29/952962229.db2.gz LKJMCVZPTJYKSX-ONGXEEELSA-N -1 1 382.350 1.258 20 0 GDADMM COc1cnc([C@H]2CCCN2C(=O)c2ncc(-c3nn[nH]n3)cc2C)[n-]c1=O ZINC001571194709 952967009 /nfs/dbraw/zinc/96/70/09/952967009.db2.gz RLFFMRZVMVETPG-LLVKDONJSA-N -1 1 382.384 1.052 20 0 GDADMM Cc1cc(F)cc(C)c1C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571195443 952976892 /nfs/dbraw/zinc/97/68/92/952976892.db2.gz AAVWYNRMYDJMBD-ZDUSSCGKSA-N -1 1 382.403 1.739 20 0 GDADMM Cc1cc(F)cc(C)c1C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571195443 952976898 /nfs/dbraw/zinc/97/68/98/952976898.db2.gz AAVWYNRMYDJMBD-ZDUSSCGKSA-N -1 1 382.403 1.739 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2C[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)c(F)c1 ZINC001571195598 952977868 /nfs/dbraw/zinc/97/78/68/952977868.db2.gz CFBKQBQCIPPQGA-HAQNSBGRSA-N -1 1 382.403 1.786 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2C[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)c(F)c1 ZINC001571195598 952977873 /nfs/dbraw/zinc/97/78/73/952977873.db2.gz CFBKQBQCIPPQGA-HAQNSBGRSA-N -1 1 382.403 1.786 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)c2ccc(F)cc2)C1)c1cncc(-c2nnn[n-]2)n1 ZINC001571195797 952978737 /nfs/dbraw/zinc/97/87/37/952978737.db2.gz GBIATNSTZODFIV-LBPRGKRZSA-N -1 1 382.403 1.394 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)c2ccc(F)cc2)C1)c1cncc(-c2nn[n-]n2)n1 ZINC001571195797 952978741 /nfs/dbraw/zinc/97/87/41/952978741.db2.gz GBIATNSTZODFIV-LBPRGKRZSA-N -1 1 382.403 1.394 20 0 GDADMM Cc1ccc(F)c(C(=O)N2CCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)c1 ZINC001571196403 952981874 /nfs/dbraw/zinc/98/18/74/952981874.db2.gz KIJYNGUODHGUDG-GFCCVEGCSA-N -1 1 382.403 1.821 20 0 GDADMM Cc1ccc(F)c(C(=O)N2CCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)c1 ZINC001571196403 952981881 /nfs/dbraw/zinc/98/18/81/952981881.db2.gz KIJYNGUODHGUDG-GFCCVEGCSA-N -1 1 382.403 1.821 20 0 GDADMM Cc1c(F)cccc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@H]1C ZINC001571196711 952982794 /nfs/dbraw/zinc/98/27/94/952982794.db2.gz MRQNNPWCWSDUSN-BXUZGUMPSA-N -1 1 382.403 1.241 20 0 GDADMM Cc1cc(F)cc(C(=O)N2C[C@@H](C)[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571196912 952984783 /nfs/dbraw/zinc/98/47/83/952984783.db2.gz PVJDWXBOZHAIIZ-ABAIWWIYSA-N -1 1 382.403 1.677 20 0 GDADMM Cc1cc(F)cc(C(=O)N2C[C@@H](C)[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571196912 952984790 /nfs/dbraw/zinc/98/47/90/952984790.db2.gz PVJDWXBOZHAIIZ-ABAIWWIYSA-N -1 1 382.403 1.677 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)c1cccc(F)c1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571197339 952988782 /nfs/dbraw/zinc/98/87/82/952988782.db2.gz XFQWHZCJPXPULB-CQSZACIVSA-N -1 1 382.403 1.537 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)c1cccc(F)c1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571197339 952988786 /nfs/dbraw/zinc/98/87/86/952988786.db2.gz XFQWHZCJPXPULB-CQSZACIVSA-N -1 1 382.403 1.537 20 0 GDADMM O=C([C@H](F)c1ccccc1)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571197420 952989859 /nfs/dbraw/zinc/98/98/59/952989859.db2.gz ZPJFRYIJUYSJPH-CZUORRHYSA-N -1 1 382.403 1.770 20 0 GDADMM O=C([C@H](F)c1ccccc1)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571197420 952989861 /nfs/dbraw/zinc/98/98/61/952989861.db2.gz ZPJFRYIJUYSJPH-CZUORRHYSA-N -1 1 382.403 1.770 20 0 GDADMM CN(C[C@@H]1CCCN(C(=O)Cc2ccoc2)C1)c1nccnc1-c1nnn[n-]1 ZINC001571198849 952994141 /nfs/dbraw/zinc/99/41/41/952994141.db2.gz HKLYLPIMRXMZHR-AWEZNQCLSA-N -1 1 382.428 1.167 20 0 GDADMM CN(C[C@@H]1CCCN(C(=O)Cc2ccoc2)C1)c1nccnc1-c1nn[n-]n1 ZINC001571198849 952994143 /nfs/dbraw/zinc/99/41/43/952994143.db2.gz HKLYLPIMRXMZHR-AWEZNQCLSA-N -1 1 382.428 1.167 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](N(CC)C(=O)c3ccco3)C2)n1 ZINC001571199417 952999299 /nfs/dbraw/zinc/99/92/99/952999299.db2.gz QEPJTDMCBRZPBJ-LBPRGKRZSA-N -1 1 382.428 1.553 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](N(CC)C(=O)c3ccco3)C2)n1 ZINC001571199417 952999301 /nfs/dbraw/zinc/99/93/01/952999301.db2.gz QEPJTDMCBRZPBJ-LBPRGKRZSA-N -1 1 382.428 1.553 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)[C@H](C)C2)o1 ZINC001571200867 953013112 /nfs/dbraw/zinc/01/31/12/953013112.db2.gz HCQSRCSBIJQKJN-BXUZGUMPSA-N -1 1 382.428 1.450 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)[C@H](C)C2)o1 ZINC001571200867 953013113 /nfs/dbraw/zinc/01/31/13/953013113.db2.gz HCQSRCSBIJQKJN-BXUZGUMPSA-N -1 1 382.428 1.450 20 0 GDADMM O=C(NC1CC(CNc2cnc(-c3nnn[n-]3)cn2)C1)[C@H](F)c1ccccc1 ZINC001571201126 953015220 /nfs/dbraw/zinc/01/52/20/953015220.db2.gz NCVHIWYGJIHVJD-IJGSQOGDSA-N -1 1 382.403 1.674 20 0 GDADMM O=C(NC1CC(CNc2cnc(-c3nn[n-]n3)cn2)C1)[C@H](F)c1ccccc1 ZINC001571201126 953015221 /nfs/dbraw/zinc/01/52/21/953015221.db2.gz NCVHIWYGJIHVJD-IJGSQOGDSA-N -1 1 382.403 1.674 20 0 GDADMM Cc1ccc(CC(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)[C@@H]2C)o1 ZINC001571201711 953019685 /nfs/dbraw/zinc/01/96/85/953019685.db2.gz NJFINQRUUCMUMO-TZMCWYRMSA-N -1 1 382.428 1.274 20 0 GDADMM Cc1ccc(CC(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)[C@@H]2C)o1 ZINC001571201711 953019687 /nfs/dbraw/zinc/01/96/87/953019687.db2.gz NJFINQRUUCMUMO-TZMCWYRMSA-N -1 1 382.428 1.274 20 0 GDADMM Cc1coc(C)c1C(=O)N1CC[C@H]([C@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571201757 953020093 /nfs/dbraw/zinc/02/00/93/953020093.db2.gz NVFSHYPUZONMMF-AAEUAGOBSA-N -1 1 382.428 1.829 20 0 GDADMM Cc1coc(C)c1C(=O)N1CC[C@H]([C@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571201757 953020097 /nfs/dbraw/zinc/02/00/97/953020097.db2.gz NVFSHYPUZONMMF-AAEUAGOBSA-N -1 1 382.428 1.829 20 0 GDADMM Cc1ccoc1CC(=O)N[C@@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571201951 953021857 /nfs/dbraw/zinc/02/18/57/953021857.db2.gz POEWZKUGIKAHKF-QWHCGFSZSA-N -1 1 382.428 1.640 20 0 GDADMM Cc1ccoc1CC(=O)N[C@@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571201951 953021862 /nfs/dbraw/zinc/02/18/62/953021862.db2.gz POEWZKUGIKAHKF-QWHCGFSZSA-N -1 1 382.428 1.640 20 0 GDADMM CC(C)c1ccoc1C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571202025 953022249 /nfs/dbraw/zinc/02/22/49/953022249.db2.gz UNHUILZGGSSSOC-GFCCVEGCSA-N -1 1 382.428 1.512 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001571202385 953024145 /nfs/dbraw/zinc/02/41/45/953024145.db2.gz WADJJEFKJLNWRY-CHWSQXEVSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001571202385 953024150 /nfs/dbraw/zinc/02/41/50/953024150.db2.gz WADJJEFKJLNWRY-CHWSQXEVSA-N -1 1 382.428 1.704 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CC2(C)C)oc1C ZINC001571202545 953026467 /nfs/dbraw/zinc/02/64/67/953026467.db2.gz UQLYLSVRZBNTPU-CQSZACIVSA-N -1 1 382.428 1.511 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CC2(C)C)oc1C ZINC001571202545 953026469 /nfs/dbraw/zinc/02/64/69/953026469.db2.gz UQLYLSVRZBNTPU-CQSZACIVSA-N -1 1 382.428 1.511 20 0 GDADMM Cc1ccc(C(=O)N2CCCC[C@H]2CNc2nc(C)cc(-c3nnn[n-]3)n2)o1 ZINC001571202746 953027618 /nfs/dbraw/zinc/02/76/18/953027618.db2.gz YBXWNUYUDYJZMH-ZDUSSCGKSA-N -1 1 382.428 1.973 20 0 GDADMM Cc1ccc(C(=O)N2CCCC[C@H]2CNc2nc(C)cc(-c3nn[n-]n3)n2)o1 ZINC001571202746 953027623 /nfs/dbraw/zinc/02/76/23/953027623.db2.gz YBXWNUYUDYJZMH-ZDUSSCGKSA-N -1 1 382.428 1.973 20 0 GDADMM Cc1nc[nH]c1C(=O)N1CCCCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571205800 953042052 /nfs/dbraw/zinc/04/20/52/953042052.db2.gz BHCHISDDFLCZKB-LBPRGKRZSA-N -1 1 382.432 1.185 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cc2c(s1)CCC2 ZINC001571209700 953066891 /nfs/dbraw/zinc/06/68/91/953066891.db2.gz BIABDFWCFJPUCE-PHIMTYICSA-N -1 1 382.453 1.580 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cc2c(s1)CCC2 ZINC001571209700 953066895 /nfs/dbraw/zinc/06/68/95/953066895.db2.gz BIABDFWCFJPUCE-PHIMTYICSA-N -1 1 382.453 1.580 20 0 GDADMM O=C(c1sccc1C1CC1)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571209846 953067759 /nfs/dbraw/zinc/06/77/59/953067759.db2.gz GPADDTSYQIDSSR-LLVKDONJSA-N -1 1 382.453 1.922 20 0 GDADMM O=C(c1sccc1C1CC1)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571209846 953067761 /nfs/dbraw/zinc/06/77/61/953067761.db2.gz GPADDTSYQIDSSR-LLVKDONJSA-N -1 1 382.453 1.922 20 0 GDADMM CC(C)(C(=O)N1CC[C@H]2[C@H](CCN2c2cncc(-c3nnn[n-]3)n2)C1)C1CC1 ZINC001571211727 953080504 /nfs/dbraw/zinc/08/05/04/953080504.db2.gz DPMHRFGZTHZSSX-DOMZBBRYSA-N -1 1 382.472 1.520 20 0 GDADMM CC(C)(C(=O)N1CC[C@H]2[C@H](CCN2c2cncc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001571211727 953080511 /nfs/dbraw/zinc/08/05/11/953080511.db2.gz DPMHRFGZTHZSSX-DOMZBBRYSA-N -1 1 382.472 1.520 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCN(C(=O)C34CCC(CC3)C4)C2)n1 ZINC001571211800 953081848 /nfs/dbraw/zinc/08/18/48/953081848.db2.gz GWLYEGRCLJHXOM-SHYRYGCCSA-N -1 1 382.472 1.948 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCN(C(=O)C34CCC(CC3)C4)C2)n1 ZINC001571211800 953081855 /nfs/dbraw/zinc/08/18/55/953081855.db2.gz GWLYEGRCLJHXOM-SHYRYGCCSA-N -1 1 382.472 1.948 20 0 GDADMM CC1(C(=O)N2CC[C@H]3[C@@H](CCN3c3cnc(-c4nnn[n-]4)cn3)C2)CCCC1 ZINC001571212083 953083889 /nfs/dbraw/zinc/08/38/89/953083889.db2.gz IPCVYAMBTGPXQO-ZFWWWQNUSA-N -1 1 382.472 1.664 20 0 GDADMM CC1(C(=O)N2CC[C@H]3[C@@H](CCN3c3cnc(-c4nn[n-]n4)cn3)C2)CCCC1 ZINC001571212083 953083891 /nfs/dbraw/zinc/08/38/91/953083891.db2.gz IPCVYAMBTGPXQO-ZFWWWQNUSA-N -1 1 382.472 1.664 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@@H](NC(=O)[C@H]3CC[C@@H]4C[C@@H]4CC3)C2)n1 ZINC001571212097 953084032 /nfs/dbraw/zinc/08/40/32/953084032.db2.gz IVWFLXKLGOJKHY-CUZDEVPKSA-N -1 1 382.472 1.851 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@@H](NC(=O)[C@H]3CC[C@@H]4C[C@@H]4CC3)C2)n1 ZINC001571212097 953084037 /nfs/dbraw/zinc/08/40/37/953084037.db2.gz IVWFLXKLGOJKHY-CUZDEVPKSA-N -1 1 382.472 1.851 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H]3[C@H]2CCCN3C(=O)C2CCCC2)n1 ZINC001571213235 953093437 /nfs/dbraw/zinc/09/34/37/953093437.db2.gz PYCGWPZZFQDFRL-CVEARBPZSA-N -1 1 382.472 1.725 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H]3[C@H]2CCCN3C(=O)C2CCCC2)n1 ZINC001571213235 953093442 /nfs/dbraw/zinc/09/34/42/953093442.db2.gz PYCGWPZZFQDFRL-CVEARBPZSA-N -1 1 382.472 1.725 20 0 GDADMM CC1(C)C2CCC1(C(=O)N1CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C1)CC2 ZINC001571213286 953094134 /nfs/dbraw/zinc/09/41/34/953094134.db2.gz RAAYRQAMEGMOLD-MLZJXEJWSA-N -1 1 382.472 1.308 20 0 GDADMM CC1(C)C2CCC1(C(=O)N1CCN(c3cncc(-c4nnn[n-]4)n3)CC1)CC2 ZINC001571213289 953094521 /nfs/dbraw/zinc/09/45/21/953094521.db2.gz RAJZKJAUUPHWKP-UHFFFAOYSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)C2CCC1(C(=O)N1CCN(c3cncc(-c4nn[n-]n4)n3)CC1)CC2 ZINC001571213289 953094525 /nfs/dbraw/zinc/09/45/25/953094525.db2.gz RAJZKJAUUPHWKP-UHFFFAOYSA-N -1 1 382.472 1.522 20 0 GDADMM CN(C[C@H]1CCCCN1C(=O)[C@H]1CC12CCC2)c1ccc(-c2nnn[n-]2)nn1 ZINC001571214101 953099899 /nfs/dbraw/zinc/09/98/99/953099899.db2.gz WXQNUEYWYLMZCK-ZIAGYGMSSA-N -1 1 382.472 1.664 20 0 GDADMM CN(C[C@H]1CCCCN1C(=O)[C@H]1CC12CCC2)c1ccc(-c2nn[n-]n2)nn1 ZINC001571214101 953099903 /nfs/dbraw/zinc/09/99/03/953099903.db2.gz WXQNUEYWYLMZCK-ZIAGYGMSSA-N -1 1 382.472 1.664 20 0 GDADMM CN(C[C@@H]1CCCCN1C(=O)C1CC2(CC2)C1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571214478 953102635 /nfs/dbraw/zinc/10/26/35/953102635.db2.gz ZPGTXQLBLGUOMV-AWEZNQCLSA-N -1 1 382.472 1.664 20 0 GDADMM CN(C[C@@H]1CCCCN1C(=O)C1CC2(CC2)C1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571214478 953102636 /nfs/dbraw/zinc/10/26/36/953102636.db2.gz ZPGTXQLBLGUOMV-AWEZNQCLSA-N -1 1 382.472 1.664 20 0 GDADMM O=C(N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)C12CCC(CC1)CC2 ZINC001571218453 953115051 /nfs/dbraw/zinc/11/50/51/953115051.db2.gz OFJCEVDPEAPWQT-SHYRYGCCSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(N[C@@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1)c1ccncc1F ZINC001571218602 953117288 /nfs/dbraw/zinc/11/72/88/953117288.db2.gz CATUCDYZIARPAI-WDEREUQCSA-N -1 1 383.391 1.201 20 0 GDADMM O=C(N[C@@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1)c1ccncc1F ZINC001571218602 953117290 /nfs/dbraw/zinc/11/72/90/953117290.db2.gz CATUCDYZIARPAI-WDEREUQCSA-N -1 1 383.391 1.201 20 0 GDADMM O=C([C@H]1CCCC2(CC2)C1)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571219098 953122129 /nfs/dbraw/zinc/12/21/29/953122129.db2.gz VCOLNBRUSHIZMP-UONOGXRCSA-N -1 1 382.472 1.452 20 0 GDADMM COc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3cc(C)no3)C2)cc1-c1nn[nH]n1 ZINC001571219240 953124483 /nfs/dbraw/zinc/12/44/83/953124483.db2.gz NBLHYKAGAZRUKK-ZDUSSCGKSA-N -1 1 383.412 1.176 20 0 GDADMM O=C(N[C@H]1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)c1ccncc1F ZINC001571219775 953127394 /nfs/dbraw/zinc/12/73/94/953127394.db2.gz SJFCRADZNOHLQY-MFKMUULPSA-N -1 1 383.391 1.201 20 0 GDADMM O=C(N[C@H]1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)c1ccncc1F ZINC001571219775 953127396 /nfs/dbraw/zinc/12/73/96/953127396.db2.gz SJFCRADZNOHLQY-MFKMUULPSA-N -1 1 383.391 1.201 20 0 GDADMM CCc1nc(C(=O)N2CC[C@@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)c(C)o1 ZINC001571222161 953131702 /nfs/dbraw/zinc/13/17/02/953131702.db2.gz DIOUFPDKFBWWAH-LLVKDONJSA-N -1 1 383.416 1.151 20 0 GDADMM CCc1nc(C(=O)N2CC[C@@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)c(C)o1 ZINC001571222161 953131704 /nfs/dbraw/zinc/13/17/04/953131704.db2.gz DIOUFPDKFBWWAH-LLVKDONJSA-N -1 1 383.416 1.151 20 0 GDADMM CCc1cc(C(=O)N2CC[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)[C@@H]2C)no1 ZINC001571222352 953133887 /nfs/dbraw/zinc/13/38/87/953133887.db2.gz GUXKWQGYMKEJKE-JQWIXIFHSA-N -1 1 383.416 1.231 20 0 GDADMM CCc1cc(C(=O)N2CC[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)[C@@H]2C)no1 ZINC001571222352 953133892 /nfs/dbraw/zinc/13/38/92/953133892.db2.gz GUXKWQGYMKEJKE-JQWIXIFHSA-N -1 1 383.416 1.231 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571222396 953134266 /nfs/dbraw/zinc/13/42/66/953134266.db2.gz HUEZDLRDRLZZCP-LLVKDONJSA-N -1 1 383.416 1.024 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571222396 953134267 /nfs/dbraw/zinc/13/42/67/953134267.db2.gz HUEZDLRDRLZZCP-LLVKDONJSA-N -1 1 383.416 1.024 20 0 GDADMM Cc1nc(C)c(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)[C@@H](C)C2)o1 ZINC001571226389 953155031 /nfs/dbraw/zinc/15/50/31/953155031.db2.gz PRKIKDCPSFFPPD-CABZTGNLSA-N -1 1 383.416 1.049 20 0 GDADMM Cc1nc(C)c(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)[C@@H](C)C2)o1 ZINC001571226389 953155033 /nfs/dbraw/zinc/15/50/33/953155033.db2.gz PRKIKDCPSFFPPD-CABZTGNLSA-N -1 1 383.416 1.049 20 0 GDADMM Cc1cc(C(=O)N2CCCC[C@H]2[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)no1 ZINC001571226907 953157130 /nfs/dbraw/zinc/15/71/30/953157130.db2.gz WPIIYMVQYNGUFJ-FZMZJTMJSA-N -1 1 383.416 1.448 20 0 GDADMM Cc1cc(C(=O)N2CCCC[C@H]2[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)no1 ZINC001571226907 953157131 /nfs/dbraw/zinc/15/71/31/953157131.db2.gz WPIIYMVQYNGUFJ-FZMZJTMJSA-N -1 1 383.416 1.448 20 0 GDADMM Cc1nsc(N2CCC[C@@H]2CNC(=O)[C@H]2CCC2(F)F)c1-c1nn[n-]n1 ZINC001571230047 953173480 /nfs/dbraw/zinc/17/34/80/953173480.db2.gz RMBDDKPWACUMMY-NXEZZACHSA-N -1 1 383.428 1.762 20 0 GDADMM Cc1nsc(N2CCC[C@@H](NC(=O)C3CC(F)(F)C3)C2)c1-c1nn[n-]n1 ZINC001571230118 953173954 /nfs/dbraw/zinc/17/39/54/953173954.db2.gz RZFMEVVFRPYUGI-SNVBAGLBSA-N -1 1 383.428 1.762 20 0 GDADMM O=C(c1cnc(C2CC2)s1)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571230200 953174674 /nfs/dbraw/zinc/17/46/74/953174674.db2.gz ACYRIDGFTDTCMW-JTQLQIEISA-N -1 1 383.441 1.317 20 0 GDADMM O=C(c1cnc(C2CC2)s1)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571230200 953174675 /nfs/dbraw/zinc/17/46/75/953174675.db2.gz ACYRIDGFTDTCMW-JTQLQIEISA-N -1 1 383.441 1.317 20 0 GDADMM O=C(NC1CC2(C1)CC(Nc1cncc(-c3nnn[n-]3)n1)C2)c1ccns1 ZINC001571231009 953182058 /nfs/dbraw/zinc/18/20/58/953182058.db2.gz PWSVLHFSYSDQCX-UHFFFAOYSA-N -1 1 383.441 1.266 20 0 GDADMM O=C(NC1CC2(C1)CC(Nc1cncc(-c3nn[n-]n3)n1)C2)c1ccns1 ZINC001571231009 953182060 /nfs/dbraw/zinc/18/20/60/953182060.db2.gz PWSVLHFSYSDQCX-UHFFFAOYSA-N -1 1 383.441 1.266 20 0 GDADMM CC(C)(C(=O)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001571234803 953205314 /nfs/dbraw/zinc/20/53/14/953205314.db2.gz JDRDYXDNFCGOFF-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)(C(=O)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001571234803 953205315 /nfs/dbraw/zinc/20/53/15/953205315.db2.gz JDRDYXDNFCGOFF-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@@H]1CCCN(C(=O)CC(F)(F)F)C1 ZINC001571234740 953205614 /nfs/dbraw/zinc/20/56/14/953205614.db2.gz HPBMDSYOKPKYHO-NXEZZACHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@@H]1CCCN(C(=O)CC(F)(F)F)C1 ZINC001571234740 953205617 /nfs/dbraw/zinc/20/56/17/953205617.db2.gz HPBMDSYOKPKYHO-NXEZZACHSA-N -1 1 384.366 1.648 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)CC(F)(F)F)C[C@H]2C)n1 ZINC001571234823 953206089 /nfs/dbraw/zinc/20/60/89/953206089.db2.gz JPJSONULYUIVHQ-SCZZXKLOSA-N -1 1 384.366 1.566 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)CC(F)(F)F)C[C@H]2C)n1 ZINC001571234823 953206094 /nfs/dbraw/zinc/20/60/94/953206094.db2.gz JPJSONULYUIVHQ-SCZZXKLOSA-N -1 1 384.366 1.566 20 0 GDADMM O=C(c1n[nH]cc1F)N1CC[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571235291 953211502 /nfs/dbraw/zinc/21/15/02/953211502.db2.gz ZGYMAUNCCWLXEO-RXMQYKEDSA-N -1 1 383.800 1.165 20 0 GDADMM O=C(c1n[nH]cc1F)N1CC[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571235291 953211505 /nfs/dbraw/zinc/21/15/05/953211505.db2.gz ZGYMAUNCCWLXEO-RXMQYKEDSA-N -1 1 383.800 1.165 20 0 GDADMM O=C(c1n[nH]cc1F)N1CC[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571235292 953211698 /nfs/dbraw/zinc/21/16/98/953211698.db2.gz ZGYMAUNCCWLXEO-YFKPBYRVSA-N -1 1 383.800 1.165 20 0 GDADMM O=C(c1n[nH]cc1F)N1CC[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571235292 953211701 /nfs/dbraw/zinc/21/17/01/953211701.db2.gz ZGYMAUNCCWLXEO-YFKPBYRVSA-N -1 1 383.800 1.165 20 0 GDADMM COCc1ccc(C(=O)NC[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)o1 ZINC001571235377 953212160 /nfs/dbraw/zinc/21/21/60/953212160.db2.gz BWKIBHRWLIZXQK-XYPYZODXSA-N -1 1 384.400 1.017 20 0 GDADMM COCc1ccc(C(=O)NC[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)o1 ZINC001571235377 953212162 /nfs/dbraw/zinc/21/21/62/953212162.db2.gz BWKIBHRWLIZXQK-XYPYZODXSA-N -1 1 384.400 1.017 20 0 GDADMM COc1ccccc1O[C@H](C)CNC(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001571235579 953213666 /nfs/dbraw/zinc/21/36/66/953213666.db2.gz JLXYDPXYUPLEGR-LLVKDONJSA-N -1 1 384.396 1.482 20 0 GDADMM CCc1nc(N[C@H]2C[C@@H](C)N(C(=O)c3ccsc3)C2)cc(-c2nnn[n-]2)n1 ZINC001571244897 953268673 /nfs/dbraw/zinc/26/86/73/953268673.db2.gz LJOAUSLTJKYEIH-PWSUYJOCSA-N -1 1 384.469 1.996 20 0 GDADMM CCc1nc(N[C@H]2C[C@@H](C)N(C(=O)c3ccsc3)C2)cc(-c2nn[n-]n2)n1 ZINC001571244897 953268675 /nfs/dbraw/zinc/26/86/75/953268675.db2.gz LJOAUSLTJKYEIH-PWSUYJOCSA-N -1 1 384.469 1.996 20 0 GDADMM Cc1csc(C(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)[C@@H](C)C2)c1 ZINC001571245080 953269801 /nfs/dbraw/zinc/26/98/01/953269801.db2.gz NLFXKGSXIWYSOG-RYUDHWBXSA-N -1 1 384.469 1.989 20 0 GDADMM Cc1csc(C(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)[C@@H](C)C2)c1 ZINC001571245080 953269803 /nfs/dbraw/zinc/26/98/03/953269803.db2.gz NLFXKGSXIWYSOG-RYUDHWBXSA-N -1 1 384.469 1.989 20 0 GDADMM CCN(C(=O)c1cscc1C)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571245159 953270986 /nfs/dbraw/zinc/27/09/86/953270986.db2.gz OUCNCAIHMFRAOM-LBPRGKRZSA-N -1 1 384.469 1.768 20 0 GDADMM CCN(C(=O)c1cscc1C)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571245159 953270988 /nfs/dbraw/zinc/27/09/88/953270988.db2.gz OUCNCAIHMFRAOM-LBPRGKRZSA-N -1 1 384.469 1.768 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCCN(C(=O)Cc3cccs3)C2)n1 ZINC001571245237 953271379 /nfs/dbraw/zinc/27/13/79/953271379.db2.gz PXEOTVFSMBQCJH-LBPRGKRZSA-N -1 1 384.469 1.672 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCCN(C(=O)Cc3cccs3)C2)n1 ZINC001571245237 953271380 /nfs/dbraw/zinc/27/13/80/953271380.db2.gz PXEOTVFSMBQCJH-LBPRGKRZSA-N -1 1 384.469 1.672 20 0 GDADMM Cc1sccc1C(=O)N1CC[C@@H]([C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571248292 953291293 /nfs/dbraw/zinc/29/12/93/953291293.db2.gz PSEXMHSPHQHJCU-CMPLNLGQSA-N -1 1 384.469 1.411 20 0 GDADMM CC[C@H]1CCCC[C@H]1C(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571249101 953300230 /nfs/dbraw/zinc/30/02/30/953300230.db2.gz DGEXPFYBRFGRSO-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM CC[C@H]1CCCC[C@H]1C(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571249101 953300235 /nfs/dbraw/zinc/30/02/35/953300235.db2.gz DGEXPFYBRFGRSO-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCN(C(=O)C(C)(C)C2CC2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571249339 953303221 /nfs/dbraw/zinc/30/32/21/953303221.db2.gz HRBYNGDLKXFEFP-QWHCGFSZSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H]1CCN(C(=O)C(C)(C)C2CC2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571249339 953303224 /nfs/dbraw/zinc/30/32/24/953303224.db2.gz HRBYNGDLKXFEFP-QWHCGFSZSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)[C@@H](C)C(=O)N1CCC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001571249478 953305392 /nfs/dbraw/zinc/30/53/92/953305392.db2.gz JPLCPVXJUAHOGB-KUHUBIRLSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)[C@@H](C)C(=O)N1CCC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001571249478 953305396 /nfs/dbraw/zinc/30/53/96/953305396.db2.gz JPLCPVXJUAHOGB-KUHUBIRLSA-N -1 1 384.488 1.768 20 0 GDADMM CC1(C)CCC[C@@H]1C(=O)NC[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571249887 953306966 /nfs/dbraw/zinc/30/69/66/953306966.db2.gz MATUPLDXDKZIMS-UONOGXRCSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C)CCC[C@@H]1C(=O)NC[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571249887 953306970 /nfs/dbraw/zinc/30/69/70/953306970.db2.gz MATUPLDXDKZIMS-UONOGXRCSA-N -1 1 384.488 1.816 20 0 GDADMM CC[C@@H]1CN(C(=O)C2CC(C)(C)C2)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571250198 953308932 /nfs/dbraw/zinc/30/89/32/953308932.db2.gz OFXZIUZSPTXMNP-OCCSQVGLSA-N -1 1 384.488 1.554 20 0 GDADMM CC1(C)CCCC[C@H]1C(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571250249 953309011 /nfs/dbraw/zinc/30/90/11/953309011.db2.gz PAXKNFGFJSZJFX-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CCCC[C@H]1C(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571250249 953309014 /nfs/dbraw/zinc/30/90/14/953309014.db2.gz PAXKNFGFJSZJFX-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)CC(C)(C)C1 ZINC001571250243 953309660 /nfs/dbraw/zinc/30/96/60/953309660.db2.gz OWIIGAWSEQNZQD-QWHCGFSZSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)CC(C)(C)C1 ZINC001571250243 953309665 /nfs/dbraw/zinc/30/96/65/953309665.db2.gz OWIIGAWSEQNZQD-QWHCGFSZSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)CN(c2nccnc2-c2nnn[n-]2)C[C@H]1NC(=O)CC1CCCCC1 ZINC001571251014 953314140 /nfs/dbraw/zinc/31/41/40/953314140.db2.gz VCBCUJZCTVTCEM-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CN(c2nccnc2-c2nn[n-]n2)C[C@H]1NC(=O)CC1CCCCC1 ZINC001571251014 953314146 /nfs/dbraw/zinc/31/41/46/953314146.db2.gz VCBCUJZCTVTCEM-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1nccnc1-c1nnn[n-]1)C1CCCC1 ZINC001571251602 953318509 /nfs/dbraw/zinc/31/85/09/953318509.db2.gz ZTJZCLXKBOGTHB-ZFWWWQNUSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1nccnc1-c1nn[n-]n1)C1CCCC1 ZINC001571251602 953318513 /nfs/dbraw/zinc/31/85/13/953318513.db2.gz ZTJZCLXKBOGTHB-ZFWWWQNUSA-N -1 1 384.488 1.910 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)CC(C)(C)C2CC2)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571251949 953322191 /nfs/dbraw/zinc/32/21/91/953322191.db2.gz CKGHPGULPXQUSJ-ZDUSSCGKSA-N -1 1 384.488 1.768 20 0 GDADMM O=C(C[C@@H]1CC[C@@H](C2CC2)O1)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571252206 953324929 /nfs/dbraw/zinc/32/49/29/953324929.db2.gz YWNRSOAUUJPOCC-XUXIUFHCSA-N -1 1 384.444 1.064 20 0 GDADMM O=C(C[C@@H]1CC[C@@H](C2CC2)O1)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571252206 953324934 /nfs/dbraw/zinc/32/49/34/953324934.db2.gz YWNRSOAUUJPOCC-XUXIUFHCSA-N -1 1 384.444 1.064 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)CC2CCN(C(=O)CC3CCC3)CC2)n1 ZINC001571252554 953329857 /nfs/dbraw/zinc/32/98/57/953329857.db2.gz PXOWNKKGCKPJGK-UHFFFAOYSA-N -1 1 384.488 1.830 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)CC2CCN(C(=O)CC3CCC3)CC2)n1 ZINC001571252554 953329861 /nfs/dbraw/zinc/32/98/61/953329861.db2.gz PXOWNKKGCKPJGK-UHFFFAOYSA-N -1 1 384.488 1.830 20 0 GDADMM CC[C@H]1CC[C@H](C(=O)N2CCCN(c3cnc(-c4nnn[n-]4)cn3)CC2)CC1 ZINC001571252767 953333240 /nfs/dbraw/zinc/33/32/40/953333240.db2.gz VZFMKCNNVSUJCF-SHTZXODSSA-N -1 1 384.488 1.912 20 0 GDADMM CC[C@H]1CC[C@H](C(=O)N2CCCN(c3cnc(-c4nn[n-]n4)cn3)CC2)CC1 ZINC001571252767 953333243 /nfs/dbraw/zinc/33/32/43/953333243.db2.gz VZFMKCNNVSUJCF-SHTZXODSSA-N -1 1 384.488 1.912 20 0 GDADMM O=C(Cc1cccc(Cl)c1)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571255138 953345915 /nfs/dbraw/zinc/34/59/15/953345915.db2.gz JBQLJPBDKJXNBD-CYBMUJFWSA-N -1 1 384.831 1.248 20 0 GDADMM O=C(Cc1cccc(Cl)c1)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571255138 953345918 /nfs/dbraw/zinc/34/59/18/953345918.db2.gz JBQLJPBDKJXNBD-CYBMUJFWSA-N -1 1 384.831 1.248 20 0 GDADMM CCOC(=O)[C@@H]1C[C@H]1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC001571255767 953356836 /nfs/dbraw/zinc/35/68/36/953356836.db2.gz OWEOGEKJSRIHDA-NXEZZACHSA-N -1 1 385.359 1.329 20 0 GDADMM CCc1ccc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])c(O)c1 ZINC001593635619 953610013 /nfs/dbraw/zinc/61/00/13/953610013.db2.gz YBNQKKFNHXZXMU-DGCLKSJQSA-N -1 1 388.342 1.691 20 0 GDADMM O=C([O-])c1ncccc1NC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC001594811792 953835748 /nfs/dbraw/zinc/83/57/48/953835748.db2.gz LPCMOQUAWSZHGJ-DOTOQJQBSA-N -1 1 384.436 1.784 20 0 GDADMM COC[C@@]1(C(=O)[O-])CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000635018424 953870831 /nfs/dbraw/zinc/87/08/31/953870831.db2.gz HKGCPBBVFKJUEW-OAHLLOKOSA-N -1 1 376.331 1.947 20 0 GDADMM O=C([O-])CN(CC(=O)Nc1cccc(CN2CCSCC2)c1)CC1CC1 ZINC000650510347 954024347 /nfs/dbraw/zinc/02/43/47/954024347.db2.gz XRPRCUKPWBQXIQ-UHFFFAOYSA-N -1 1 377.510 1.971 20 0 GDADMM O=C([O-])CN1CC[C@H](N2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)C1=O ZINC000662204304 954379203 /nfs/dbraw/zinc/37/92/03/954379203.db2.gz HDLXFGVLGOVBEE-IBGZPJMESA-N -1 1 399.491 1.575 20 0 GDADMM O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1onc2ccccc21 ZINC001594894856 954558795 /nfs/dbraw/zinc/55/87/95/954558795.db2.gz AKBVVAIKZKFZRM-WDEREUQCSA-N -1 1 385.298 1.564 20 0 GDADMM O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)c3cnc(-c4ccccc4)[nH]3)CC2)C1 ZINC001594897779 954585249 /nfs/dbraw/zinc/58/52/49/954585249.db2.gz QQKPMLSBKGJBBK-AWEZNQCLSA-N -1 1 382.420 1.614 20 0 GDADMM COC(=O)C1CC2(C1)CN(Cc1nnc(-c3cccc(F)c3)o1)C[C@@H]2C(=O)[O-] ZINC001593825832 955105037 /nfs/dbraw/zinc/10/50/37/955105037.db2.gz NKCTUMAXAKXTSI-GBRVTDDUSA-N -1 1 389.383 1.962 20 0 GDADMM Cc1oc(C(C)C)nc1C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001594506619 955362600 /nfs/dbraw/zinc/36/26/00/955362600.db2.gz NYPWPOPCLXQMQO-KOLCDFICSA-N -1 1 391.346 1.843 20 0 GDADMM Cn1cc(C[N@@H+]2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])c(C(F)F)n1 ZINC001594542687 955665020 /nfs/dbraw/zinc/66/50/20/955665020.db2.gz IHXOIZKEOGPPAF-WPRPVWTQSA-N -1 1 384.305 1.454 20 0 GDADMM Cn1cc(C[N@H+]2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])c(C(F)F)n1 ZINC001594542687 955665037 /nfs/dbraw/zinc/66/50/37/955665037.db2.gz IHXOIZKEOGPPAF-WPRPVWTQSA-N -1 1 384.305 1.454 20 0 GDADMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccc2nccnc2c1 ZINC000851701404 955817104 /nfs/dbraw/zinc/81/71/04/955817104.db2.gz VZIRYFZJAMCBCB-YPMHNXCESA-N -1 1 396.325 1.366 20 0 GDADMM CC(C)(C)c1cc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])no1 ZINC000851703862 955829192 /nfs/dbraw/zinc/82/91/92/955829192.db2.gz QFCRZHAPQGIUSN-LDYMZIIASA-N -1 1 391.346 1.708 20 0 GDADMM O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1CCC(=O)Nc1cccnc1 ZINC000852734351 955840691 /nfs/dbraw/zinc/84/06/91/955840691.db2.gz AEMKORHQCRVBBX-AAEUAGOBSA-N -1 1 388.346 1.006 20 0 GDADMM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1Cc1cnn(-c2ccccc2)n1 ZINC000852734462 955845181 /nfs/dbraw/zinc/84/51/81/955845181.db2.gz BIFRBYMTJZHNBO-KBPBESRZSA-N -1 1 397.357 1.363 20 0 GDADMM Cn1c(CC[N@H+]2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])nc2ccccc21 ZINC000852737017 955851694 /nfs/dbraw/zinc/85/16/94/955851694.db2.gz PXHOHWJHAOMSRA-SWLSCSKDSA-N -1 1 398.385 1.712 20 0 GDADMM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)CCCc1nccs1 ZINC000852958421 955894217 /nfs/dbraw/zinc/89/42/17/955894217.db2.gz LFAMWWUBKREUJK-CABZTGNLSA-N -1 1 393.387 1.589 20 0 GDADMM Cc1ncc(/C=C/C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])s1 ZINC000852959206 955898778 /nfs/dbraw/zinc/89/87/78/955898778.db2.gz YIPNODMKCWSMBS-KOBKQOIESA-N -1 1 391.371 1.587 20 0 GDADMM CN1CCN(Cc2cccc(NC(=O)[C@H]3CO[C@@H](CCC(=O)[O-])C3)c2)CC1 ZINC000901717029 956437280 /nfs/dbraw/zinc/43/72/80/956437280.db2.gz SSZKIKRUBDNYIW-AEFFLSMTSA-N -1 1 375.469 1.642 20 0 GDADMM Cc1cnc(Cl)c(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])c1 ZINC000902064825 956635868 /nfs/dbraw/zinc/63/58/68/956635868.db2.gz HOANENOPRFGKEB-VHSXEESVSA-N -1 1 393.749 1.780 20 0 GDADMM 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COCCCS(=O)(=O)NCC(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000272413657 532096221 /nfs/dbraw/zinc/09/62/21/532096221.db2.gz DMEATTGYELJGKK-UHFFFAOYSA-N -1 1 395.275 1.358 20 0 GDADMM COc1ccc(-c2nc(CNS(=O)(=O)c3c(Cl)cnn3C)n[nH]2)cc1 ZINC000373776623 532097396 /nfs/dbraw/zinc/09/73/96/532097396.db2.gz IBNNPAHYHYAOGI-UHFFFAOYSA-N -1 1 382.833 1.346 20 0 GDADMM CN(C)S(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)c1 ZINC000608258204 532102860 /nfs/dbraw/zinc/10/28/60/532102860.db2.gz QGPQEKBIYOGKFI-UHFFFAOYSA-N -1 1 386.499 1.758 20 0 GDADMM COc1cc(C(=O)[O-])c(NS(=O)(=O)[C@@H]2CCCOC2)c(OC)c1OC ZINC000272533218 532103563 /nfs/dbraw/zinc/10/35/63/532103563.db2.gz BKNXBUBBTVXMLK-SECBINFHSA-N -1 1 375.399 1.331 20 0 GDADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000329550237 532105837 /nfs/dbraw/zinc/10/58/37/532105837.db2.gz FMCGFRYJXODLOP-CWSCBRNRSA-N -1 1 393.292 1.501 20 0 GDADMM COC(=O)CC1(C[N-]S(=O)(=O)c2c(F)cc(C)cc2F)CCOCC1 ZINC000425197128 532125871 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COC(=O)c1c[n-]c(S(=O)(=O)Cc2noc(-c3ccc(Cl)cc3)n2)n1 ZINC000375608023 532172337 /nfs/dbraw/zinc/17/23/37/532172337.db2.gz WJVVYIPWQJRSLQ-UHFFFAOYSA-N -1 1 382.785 1.874 20 0 GDADMM COC(=O)Cc1nc([N-]C(=O)c2c(F)ccc(Br)c2F)n[nH]1 ZINC000426868207 532172424 /nfs/dbraw/zinc/17/24/24/532172424.db2.gz FDCZQPTWUZGFND-UHFFFAOYSA-N -1 1 375.129 1.813 20 0 GDADMM Cc1[nH]c(=O)[nH]c(=O)c1NC(=O)c1ccc(I)c([O-])c1 ZINC000427153732 532176478 /nfs/dbraw/zinc/17/64/78/532176478.db2.gz DJRPWIIPLHJZCM-UHFFFAOYSA-N -1 1 387.133 1.759 20 0 GDADMM O=C(Nc1ccc(S(=O)(=O)[N-]c2nncs2)cc1)c1ncccc1O ZINC000427668428 532188101 /nfs/dbraw/zinc/18/81/01/532188101.db2.gz NEZLDRUUOQPTOQ-UHFFFAOYSA-N -1 1 377.407 1.692 20 0 GDADMM COC(=O)[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)[C@@H](C)O ZINC000274401107 532207949 /nfs/dbraw/zinc/20/79/49/532207949.db2.gz XUXZXQOIINZMEM-HZGVNTEJSA-N -1 1 375.752 1.560 20 0 GDADMM CC(C)NS(=O)(=O)NCC[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000428384169 532204627 /nfs/dbraw/zinc/20/46/27/532204627.db2.gz BHBXCYKOHKWNGQ-UHFFFAOYSA-N -1 1 396.343 1.166 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc(Br)cc1-n1cncn1)c1nn[n-]n1 ZINC000274802439 532234330 /nfs/dbraw/zinc/23/43/30/532234330.db2.gz STGVUPCTKIHHLU-SECBINFHSA-N -1 1 391.233 1.419 20 0 GDADMM C/C=C/C[C@H](CO)[N-]S(=O)(=O)c1cc(C(=O)OC)oc1Br ZINC000274686668 532225579 /nfs/dbraw/zinc/22/55/79/532225579.db2.gz UHRBGRPGBSITIP-MPJRPATESA-N -1 1 382.232 1.434 20 0 GDADMM COC(=O)[C@H]([N-]S(=O)(=O)C[C@H]1CCCO1)c1ccc(OC)c(Cl)c1 ZINC000274699506 532226069 /nfs/dbraw/zinc/22/60/69/532226069.db2.gz XZIKEQTYVGMMES-BXUZGUMPSA-N -1 1 377.846 1.661 20 0 GDADMM O=C([O-])[C@H]1[C@H]2CCCN2CCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000377150250 532244646 /nfs/dbraw/zinc/24/46/46/532244646.db2.gz FDLJTPBLHHRHNH-CHWSQXEVSA-N -1 1 379.265 1.915 20 0 GDADMM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000274979262 532249446 /nfs/dbraw/zinc/24/94/46/532249446.db2.gz XMVZTGIVYPIHHL-NSHDSACASA-N -1 1 377.344 1.711 20 0 GDADMM COC(=O)c1ncsc1S(=O)(=O)N[C@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000275066088 532260182 /nfs/dbraw/zinc/26/01/82/532260182.db2.gz VPRSIDCCMOUAFM-UWVGGRQHSA-N -1 1 376.456 1.632 20 0 GDADMM CC1=C(Br)CN(C(=O)C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)CC1 ZINC000288326837 532282260 /nfs/dbraw/zinc/28/22/60/532282260.db2.gz ISESSVDNEJBIBM-UNOMPAQXSA-N -1 1 378.230 1.182 20 0 GDADMM Cc1cc(Cl)cnc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CCCCO1 ZINC000349454071 532287916 /nfs/dbraw/zinc/28/79/16/532287916.db2.gz BRSZNSXXUUZCBL-UHFFFAOYSA-N -1 1 397.906 1.532 20 0 GDADMM C[S@@](=O)C1(CNC(=O)c2ccc(I)c([O-])c2)CC1 ZINC000380149238 532294865 /nfs/dbraw/zinc/29/48/65/532294865.db2.gz VTUWVUWUHWALKA-GOSISDBHSA-N -1 1 379.219 1.638 20 0 GDADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(S(N)(=O)=O)ccc1C ZINC000391656144 532298841 /nfs/dbraw/zinc/29/88/41/532298841.db2.gz MXDMCACAAWKWOY-UHFFFAOYSA-N -1 1 390.464 1.511 20 0 GDADMM CO[C@H](C)C[N-]S(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl ZINC000276248722 532324872 /nfs/dbraw/zinc/32/48/72/532324872.db2.gz VROGEXXCGLOFDJ-RXMQYKEDSA-N -1 1 399.650 1.850 20 0 GDADMM CCO[C@H]1C[C@]([N-]S(=O)(=O)Cc2ccc(Cl)nc2)(C(=O)OC)C1(C)C ZINC000275917909 532314385 /nfs/dbraw/zinc/31/43/85/532314385.db2.gz FYJPHHWEIYXHMA-LRDDRELGSA-N -1 1 390.889 1.901 20 0 GDADMM CCc1nnc(C[N-]S(=O)(=O)c2nc(C)n(C)c2Br)s1 ZINC000289548720 532327329 /nfs/dbraw/zinc/32/73/29/532327329.db2.gz OCZZCUJGRGDZIZ-UHFFFAOYSA-N -1 1 380.293 1.383 20 0 GDADMM Cc1ccc(S(=O)(=O)NCC(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1C ZINC000289678036 532330526 /nfs/dbraw/zinc/33/05/26/532330526.db2.gz GGMVUBPPWUXYRW-UHFFFAOYSA-N -1 1 377.348 1.357 20 0 GDADMM Cn1cc(CCNC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cn1 ZINC000289711573 532331240 /nfs/dbraw/zinc/33/12/40/532331240.db2.gz FCFDTKFPNKZDDS-UHFFFAOYSA-N -1 1 391.280 1.364 20 0 GDADMM COc1ccc(S(=O)(=O)[N-]c2cccc(-n3cnnn3)c2C)cc1OC ZINC000016100950 221357644 /nfs/dbraw/zinc/35/76/44/221357644.db2.gz IOADRZSIHXRBBA-UHFFFAOYSA-N -1 1 375.410 1.789 20 0 GDADMM COC(=O)NCCC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000736939312 598836195 /nfs/dbraw/zinc/83/61/95/598836195.db2.gz XOFCHGIPIDCMQQ-UHFFFAOYSA-N -1 1 386.437 1.958 20 0 GDADMM CN(CCc1ccc(Cl)cc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736804779 598836224 /nfs/dbraw/zinc/83/62/24/598836224.db2.gz VSCCHRLOJKSYOK-UHFFFAOYSA-N -1 1 378.845 1.778 20 0 GDADMM CN(CCc1ccc(Cl)cc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736804779 598836226 /nfs/dbraw/zinc/83/62/26/598836226.db2.gz VSCCHRLOJKSYOK-UHFFFAOYSA-N -1 1 378.845 1.778 20 0 GDADMM CN(CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1)Cc1ccon1 ZINC000736786708 598865935 /nfs/dbraw/zinc/86/59/35/598865935.db2.gz CEGYACXDVUCMQI-UHFFFAOYSA-N -1 1 379.384 1.111 20 0 GDADMM CN(CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1)Cc1ccon1 ZINC000736786708 598865936 /nfs/dbraw/zinc/86/59/36/598865936.db2.gz CEGYACXDVUCMQI-UHFFFAOYSA-N -1 1 379.384 1.111 20 0 GDADMM COC(=O)C1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000736913763 598873489 /nfs/dbraw/zinc/87/34/89/598873489.db2.gz YZESOASWBMAGOU-UHFFFAOYSA-N -1 1 385.833 1.094 20 0 GDADMM COC(=O)C1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000736913763 598873491 /nfs/dbraw/zinc/87/34/91/598873491.db2.gz YZESOASWBMAGOU-UHFFFAOYSA-N -1 1 385.833 1.094 20 0 GDADMM FC(F)C(F)(F)CN1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000737639268 598915090 /nfs/dbraw/zinc/91/50/90/598915090.db2.gz PYNWYQLCESKNKP-UHFFFAOYSA-N -1 1 379.749 1.938 20 0 GDADMM FC(F)C(F)(F)CN1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000737639268 598915092 /nfs/dbraw/zinc/91/50/92/598915092.db2.gz PYNWYQLCESKNKP-UHFFFAOYSA-N -1 1 379.749 1.938 20 0 GDADMM O=C(c1ccco1)N1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000738285051 598936763 /nfs/dbraw/zinc/93/67/63/598936763.db2.gz BIEJUVVWRWDAPN-UHFFFAOYSA-N -1 1 376.380 1.365 20 0 GDADMM O=C(c1ccco1)N1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000738285051 598936765 /nfs/dbraw/zinc/93/67/65/598936765.db2.gz BIEJUVVWRWDAPN-UHFFFAOYSA-N -1 1 376.380 1.365 20 0 GDADMM c1csc(N2CCCN(c3c4ccccc4nnc3-c3nnn[n-]3)CC2)n1 ZINC000738436360 598937009 /nfs/dbraw/zinc/93/70/09/598937009.db2.gz GSBDHWYZPMVCBW-UHFFFAOYSA-N -1 1 379.453 1.983 20 0 GDADMM c1csc(N2CCCN(c3c4ccccc4nnc3-c3nn[n-]n3)CC2)n1 ZINC000738436360 598937011 /nfs/dbraw/zinc/93/70/11/598937011.db2.gz GSBDHWYZPMVCBW-UHFFFAOYSA-N -1 1 379.453 1.983 20 0 GDADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccn(-c2ccncc2)n1 ZINC000737225810 598950496 /nfs/dbraw/zinc/95/04/96/598950496.db2.gz SCIWPAWEUOPNOH-UHFFFAOYSA-N -1 1 382.409 1.557 20 0 GDADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1cccc(-c2nc[nH]n2)c1 ZINC000737225935 598950500 /nfs/dbraw/zinc/95/05/00/598950500.db2.gz VYXXRKAIYDHUNI-UHFFFAOYSA-N -1 1 382.409 1.761 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC[C@H]1CCCC[C@H]1O ZINC000737486981 598953537 /nfs/dbraw/zinc/95/35/37/598953537.db2.gz HDWASJYZKYVMEZ-CZUORRHYSA-N -1 1 398.471 1.126 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC[C@H]1CCCC[C@H]1O ZINC000737486981 598953539 /nfs/dbraw/zinc/95/35/39/598953539.db2.gz HDWASJYZKYVMEZ-CZUORRHYSA-N -1 1 398.471 1.126 20 0 GDADMM CCCCNC(=O)C1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000736458259 598957499 /nfs/dbraw/zinc/95/74/99/598957499.db2.gz YTMMTPNHKGWPCL-UHFFFAOYSA-N -1 1 380.456 1.943 20 0 GDADMM CCCCNC(=O)C1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000736458259 598957502 /nfs/dbraw/zinc/95/75/02/598957502.db2.gz YTMMTPNHKGWPCL-UHFFFAOYSA-N -1 1 380.456 1.943 20 0 GDADMM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1nc2ccccc2s1 ZINC000736129583 598959192 /nfs/dbraw/zinc/95/91/92/598959192.db2.gz GFTCKRXYFUSFCW-VIFPVBQESA-N -1 1 387.450 1.911 20 0 GDADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1nc2ccccc2s1 ZINC000736129583 598959193 /nfs/dbraw/zinc/95/91/93/598959193.db2.gz GFTCKRXYFUSFCW-VIFPVBQESA-N -1 1 387.450 1.911 20 0 GDADMM c1nn(CCN2CCOCC2)cc1Nc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000738436368 598966767 /nfs/dbraw/zinc/96/67/67/598966767.db2.gz GUKIQTBOZWPXGG-UHFFFAOYSA-N -1 1 392.427 1.082 20 0 GDADMM c1nn(CCN2CCOCC2)cc1Nc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000738436368 598966768 /nfs/dbraw/zinc/96/67/68/598966768.db2.gz GUKIQTBOZWPXGG-UHFFFAOYSA-N -1 1 392.427 1.082 20 0 GDADMM C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(-c4nnn[n-]4)nc3)cn2)C[C@H](C)O1 ZINC000736286347 598992092 /nfs/dbraw/zinc/99/20/92/598992092.db2.gz BXWKDVQSOBMDEY-BETUJISGSA-N -1 1 394.439 1.200 20 0 GDADMM C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(-c4nn[n-]n4)nc3)cn2)C[C@H](C)O1 ZINC000736286347 598992093 /nfs/dbraw/zinc/99/20/93/598992093.db2.gz BXWKDVQSOBMDEY-BETUJISGSA-N -1 1 394.439 1.200 20 0 GDADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1cccc(Cn2cncn2)c1 ZINC000737226025 598999611 /nfs/dbraw/zinc/99/96/11/598999611.db2.gz YMSMRBKJWVPTOD-UHFFFAOYSA-N -1 1 396.436 1.616 20 0 GDADMM NC(=O)C1CCN(c2ccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)cc2)CC1 ZINC000737744523 599000279 /nfs/dbraw/zinc/00/02/79/599000279.db2.gz LRTFKTDHQMOIKK-UHFFFAOYSA-N -1 1 392.423 1.216 20 0 GDADMM NC(=O)C1CCN(c2ccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)cc2)CC1 ZINC000737744523 599000281 /nfs/dbraw/zinc/00/02/81/599000281.db2.gz LRTFKTDHQMOIKK-UHFFFAOYSA-N -1 1 392.423 1.216 20 0 GDADMM Cc1ccc(C(=O)NC2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)s1 ZINC000737310477 599000399 /nfs/dbraw/zinc/00/03/99/599000399.db2.gz ONDKVFUKWRLEIT-UHFFFAOYSA-N -1 1 397.464 1.666 20 0 GDADMM Cc1ccc(C(=O)NC2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)s1 ZINC000737310477 599000401 /nfs/dbraw/zinc/00/04/01/599000401.db2.gz ONDKVFUKWRLEIT-UHFFFAOYSA-N -1 1 397.464 1.666 20 0 GDADMM Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737435121 599004801 /nfs/dbraw/zinc/00/48/01/599004801.db2.gz HJDJEDFTVZOOBU-HNNXBMFYSA-N -1 1 395.448 1.724 20 0 GDADMM Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737435121 599004803 /nfs/dbraw/zinc/00/48/03/599004803.db2.gz HJDJEDFTVZOOBU-HNNXBMFYSA-N -1 1 395.448 1.724 20 0 GDADMM CCOC(=O)C1(CNC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)CCC1 ZINC000736589878 599013835 /nfs/dbraw/zinc/01/38/35/599013835.db2.gz CPFMCRHFFILMCQ-UHFFFAOYSA-N -1 1 392.441 1.152 20 0 GDADMM CS(=O)(=O)Nc1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)ccc1F ZINC000737169421 599021032 /nfs/dbraw/zinc/02/10/32/599021032.db2.gz WZLGQIQYWPRRLQ-UHFFFAOYSA-N -1 1 377.361 1.025 20 0 GDADMM CS(=O)(=O)Nc1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)ccc1F ZINC000737169421 599021033 /nfs/dbraw/zinc/02/10/33/599021033.db2.gz WZLGQIQYWPRRLQ-UHFFFAOYSA-N -1 1 377.361 1.025 20 0 GDADMM CCCn1cc(CN2CCCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)cn1 ZINC000736502996 599029630 /nfs/dbraw/zinc/02/96/30/599029630.db2.gz RTUUFVWVXDKVQL-UHFFFAOYSA-N -1 1 395.471 1.216 20 0 GDADMM CCc1cc(CNC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)on1 ZINC000736675431 599036965 /nfs/dbraw/zinc/03/69/65/599036965.db2.gz LPFUWCVIROCAPK-UHFFFAOYSA-N -1 1 395.427 1.326 20 0 GDADMM CCc1cc(CNC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)on1 ZINC000736675431 599036968 /nfs/dbraw/zinc/03/69/68/599036968.db2.gz LPFUWCVIROCAPK-UHFFFAOYSA-N -1 1 395.427 1.326 20 0 GDADMM O=S(=O)(N[C@@H](Cn1cccn1)c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738329838 599051599 /nfs/dbraw/zinc/05/15/99/599051599.db2.gz OBTYOGSULAIMEG-INIZCTEOSA-N -1 1 396.436 1.178 20 0 GDADMM O=S(=O)(N[C@@H](Cn1cccn1)c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738329838 599051602 /nfs/dbraw/zinc/05/16/02/599051602.db2.gz OBTYOGSULAIMEG-INIZCTEOSA-N -1 1 396.436 1.178 20 0 GDADMM O=S(=O)(N[C@H](Cn1cccn1)c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738329842 599051683 /nfs/dbraw/zinc/05/16/83/599051683.db2.gz OBTYOGSULAIMEG-MRXNPFEDSA-N -1 1 396.436 1.178 20 0 GDADMM O=S(=O)(N[C@H](Cn1cccn1)c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738329842 599051684 /nfs/dbraw/zinc/05/16/84/599051684.db2.gz OBTYOGSULAIMEG-MRXNPFEDSA-N -1 1 396.436 1.178 20 0 GDADMM CN([C@H]1CCCN(c2ccccc2)C1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736780401 599083028 /nfs/dbraw/zinc/08/30/28/599083028.db2.gz VOBVEGUBUUKJJQ-HNNXBMFYSA-N -1 1 399.480 1.551 20 0 GDADMM CN([C@H]1CCCN(c2ccccc2)C1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736780401 599083031 /nfs/dbraw/zinc/08/30/31/599083031.db2.gz VOBVEGUBUUKJJQ-HNNXBMFYSA-N -1 1 399.480 1.551 20 0 GDADMM COc1ccc(-c2nc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)n[nH]2)cc1OC ZINC000737058469 599106698 /nfs/dbraw/zinc/10/66/98/599106698.db2.gz YBZMGTMMLPZPIB-UHFFFAOYSA-N -1 1 393.367 1.316 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000736156425 599133858 /nfs/dbraw/zinc/13/38/58/599133858.db2.gz AYPGNJWEDBSODV-NSHDSACASA-N -1 1 381.396 1.512 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000736156425 599133860 /nfs/dbraw/zinc/13/38/60/599133860.db2.gz AYPGNJWEDBSODV-NSHDSACASA-N -1 1 381.396 1.512 20 0 GDADMM O=C(O[C@H]1CCN(c2ccccc2Cl)C1=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738213156 599134972 /nfs/dbraw/zinc/13/49/72/599134972.db2.gz FXWJIEOGNUOQPQ-AWEZNQCLSA-N -1 1 384.783 1.877 20 0 GDADMM O=C(O[C@H]1CCN(c2ccccc2Cl)C1=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738213156 599134973 /nfs/dbraw/zinc/13/49/73/599134973.db2.gz FXWJIEOGNUOQPQ-AWEZNQCLSA-N -1 1 384.783 1.877 20 0 GDADMM CC(C)[C@@H](CNC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000735710480 599142419 /nfs/dbraw/zinc/14/24/19/599142419.db2.gz UMCWIOCNHJTZFT-MRXNPFEDSA-N -1 1 394.435 1.975 20 0 GDADMM CC(C)[C@@H](CNC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000735710480 599142421 /nfs/dbraw/zinc/14/24/21/599142421.db2.gz UMCWIOCNHJTZFT-MRXNPFEDSA-N -1 1 394.435 1.975 20 0 GDADMM CCO[C@@H](C)c1nc(Cn2cc(C(=O)OC)cc(-c3nn[n-]n3)c2=O)cs1 ZINC000736613112 599160933 /nfs/dbraw/zinc/16/09/33/599160933.db2.gz DFXYNPMBZCRIFW-VIFPVBQESA-N -1 1 390.425 1.417 20 0 GDADMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)/C=C\c1ccc(Br)cc1 ZINC000739605666 596926392 /nfs/dbraw/zinc/92/63/92/596926392.db2.gz DPIHHOAAIVUADS-YFHOEESVSA-N -1 1 391.287 1.698 20 0 GDADMM CN1CCN(C[C@H](NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)c2ccccc2)CC1 ZINC000818482123 597063753 /nfs/dbraw/zinc/06/37/53/597063753.db2.gz GKXXOENNIBYLLL-HKUYNNGSSA-N -1 1 388.512 1.871 20 0 GDADMM Cn1ccnc1[C@H](O)[C@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000822694114 607306021 /nfs/dbraw/zinc/30/60/21/607306021.db2.gz VVDMCIMYECUJJF-YVEFUNNKSA-N -1 1 391.439 1.493 20 0 GDADMM Cn1ccnc1[C@H](O)[C@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000822694114 607306022 /nfs/dbraw/zinc/30/60/22/607306022.db2.gz VVDMCIMYECUJJF-YVEFUNNKSA-N -1 1 391.439 1.493 20 0 GDADMM C[C@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)N1CC[C@@H](C(=O)[O-])C1 ZINC000262676898 597534378 /nfs/dbraw/zinc/53/43/78/597534378.db2.gz UMTGHTUOUGLRLS-NXEZZACHSA-N -1 1 385.342 1.786 20 0 GDADMM C[C@@H](C(=O)Nc1ccccc1C(=O)NCc1ccco1)N1CC[C@H](C(=O)[O-])C1 ZINC000817744310 597535992 /nfs/dbraw/zinc/53/59/92/597535992.db2.gz WKJXUKADCBWCSQ-KBPBESRZSA-N -1 1 385.420 1.943 20 0 GDADMM CC(=O)NCCN(C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1)[C@H](C)C(=O)[O-] ZINC000262172859 597687657 /nfs/dbraw/zinc/68/76/57/597687657.db2.gz DNXAVNLIMWFPQF-SNVBAGLBSA-N -1 1 378.816 1.782 20 0 GDADMM CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736814215 598260543 /nfs/dbraw/zinc/26/05/43/598260543.db2.gz JBACECMRVHPTIU-UHFFFAOYSA-N -1 1 382.808 1.875 20 0 GDADMM CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736814215 598260544 /nfs/dbraw/zinc/26/05/44/598260544.db2.gz JBACECMRVHPTIU-UHFFFAOYSA-N -1 1 382.808 1.875 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC[C@@H](C2OCCO2)C1 ZINC000737546862 598311600 /nfs/dbraw/zinc/31/16/00/598311600.db2.gz ICJWXQZBJFRIOE-CYBMUJFWSA-N -1 1 398.423 1.784 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC[C@@H](C2OCCO2)C1 ZINC000737546862 598311602 /nfs/dbraw/zinc/31/16/02/598311602.db2.gz ICJWXQZBJFRIOE-CYBMUJFWSA-N -1 1 398.423 1.784 20 0 GDADMM CCOc1ccccc1C(=O)NCCCC(=O)N=c1cc[nH]cc1-c1nn[n-]n1 ZINC000736654264 598378817 /nfs/dbraw/zinc/37/88/17/598378817.db2.gz ILAGTHRIINZOPQ-UHFFFAOYSA-N -1 1 395.423 1.231 20 0 GDADMM O=C(CNc1cnc(-c2nnn[n-]2)cn1)Nc1ccc(Br)cc1 ZINC000737900572 598387212 /nfs/dbraw/zinc/38/72/12/598387212.db2.gz NHTMLWKNMIIPJM-UHFFFAOYSA-N -1 1 375.190 1.470 20 0 GDADMM O=C(CNc1cnc(-c2nn[n-]n2)cn1)Nc1ccc(Br)cc1 ZINC000737900572 598387215 /nfs/dbraw/zinc/38/72/15/598387215.db2.gz NHTMLWKNMIIPJM-UHFFFAOYSA-N -1 1 375.190 1.470 20 0 GDADMM CC(=O)NCCNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000735475047 598399545 /nfs/dbraw/zinc/39/95/45/598399545.db2.gz SQQDVBUOPMZCHZ-UHFFFAOYSA-N -1 1 384.371 1.664 20 0 GDADMM CC(=O)NCCNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000735475047 598399547 /nfs/dbraw/zinc/39/95/47/598399547.db2.gz SQQDVBUOPMZCHZ-UHFFFAOYSA-N -1 1 384.371 1.664 20 0 GDADMM CCOCCCC(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000736610704 598408023 /nfs/dbraw/zinc/40/80/23/598408023.db2.gz KWMZNZGRNAVIJF-UHFFFAOYSA-N -1 1 399.411 1.351 20 0 GDADMM CCOCCCC(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736610704 598408025 /nfs/dbraw/zinc/40/80/25/598408025.db2.gz KWMZNZGRNAVIJF-UHFFFAOYSA-N -1 1 399.411 1.351 20 0 GDADMM O=C(COC(=O)C1CCCC1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000737910023 598409357 /nfs/dbraw/zinc/40/93/57/598409357.db2.gz XFLSQFDQWWKDFO-UHFFFAOYSA-N -1 1 381.396 1.724 20 0 GDADMM O=C(COC(=O)C1CCCC1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737910023 598409359 /nfs/dbraw/zinc/40/93/59/598409359.db2.gz XFLSQFDQWWKDFO-UHFFFAOYSA-N -1 1 381.396 1.724 20 0 GDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)COc1ccccc1OCC(F)(F)F ZINC000737775864 598529128 /nfs/dbraw/zinc/52/91/28/598529128.db2.gz GQZWIDLUYFYTCR-UHFFFAOYSA-N -1 1 383.290 1.306 20 0 GDADMM COc1ccccc1C1=NC(=Cc2cnc3c(-c4nnn[n-]4)cnn3c2)C(=O)O1 ZINC000737146605 598567057 /nfs/dbraw/zinc/56/70/57/598567057.db2.gz HXIQWWTWJMQMDF-AWNIVKPZSA-N -1 1 388.347 1.263 20 0 GDADMM COc1ccccc1C1=NC(=Cc2cnc3c(-c4nn[n-]n4)cnn3c2)C(=O)O1 ZINC000737146605 598567058 /nfs/dbraw/zinc/56/70/58/598567058.db2.gz HXIQWWTWJMQMDF-AWNIVKPZSA-N -1 1 388.347 1.263 20 0 GDADMM CNS(=O)(=O)c1cccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000736887297 598573213 /nfs/dbraw/zinc/57/32/13/598573213.db2.gz NNCAUBGTTKNXOV-UHFFFAOYSA-N -1 1 379.833 1.435 20 0 GDADMM CNS(=O)(=O)c1cccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000736887297 598573215 /nfs/dbraw/zinc/57/32/15/598573215.db2.gz NNCAUBGTTKNXOV-UHFFFAOYSA-N -1 1 379.833 1.435 20 0 GDADMM NC(=O)Nc1ccc(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)cc1 ZINC000737755690 598720311 /nfs/dbraw/zinc/72/03/11/598720311.db2.gz PJNLOTGFARRGAY-UHFFFAOYSA-N -1 1 389.375 1.555 20 0 GDADMM Cc1oc(NC(=O)COC(=O)CC[C@H]2CCCCO2)c(-c2nn[n-]n2)c1C ZINC000737553426 598724779 /nfs/dbraw/zinc/72/47/79/598724779.db2.gz VUNITBLKBIUXID-GFCCVEGCSA-N -1 1 377.401 1.908 20 0 GDADMM O=S(=O)(N[C@H](c1nccs1)c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738330918 598768869 /nfs/dbraw/zinc/76/88/69/598768869.db2.gz UNDVDRAUYQPYJL-AWEZNQCLSA-N -1 1 399.461 1.786 20 0 GDADMM O=S(=O)(N[C@H](c1nccs1)c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738330918 598768871 /nfs/dbraw/zinc/76/88/71/598768871.db2.gz UNDVDRAUYQPYJL-AWEZNQCLSA-N -1 1 399.461 1.786 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCN(CC(F)F)CC1 ZINC000823599830 599340987 /nfs/dbraw/zinc/34/09/87/599340987.db2.gz AACWAGIAKRFVDV-UHFFFAOYSA-N -1 1 392.819 1.092 20 0 GDADMM CCCC(=O)N[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000821001123 599342362 /nfs/dbraw/zinc/34/23/62/599342362.db2.gz OUUFUOVOUVJBIP-NSHDSACASA-N -1 1 396.448 1.075 20 0 GDADMM CCCC(=O)N[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000821001123 599342365 /nfs/dbraw/zinc/34/23/65/599342365.db2.gz OUUFUOVOUVJBIP-NSHDSACASA-N -1 1 396.448 1.075 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000823601307 599361098 /nfs/dbraw/zinc/36/10/98/599361098.db2.gz ZNUQRVQYRNOSCD-ZDUSSCGKSA-N -1 1 378.458 1.374 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000823601307 599361101 /nfs/dbraw/zinc/36/11/01/599361101.db2.gz ZNUQRVQYRNOSCD-ZDUSSCGKSA-N -1 1 378.458 1.374 20 0 GDADMM C[C@@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)Oc1cccc(F)c1 ZINC000820276798 599362307 /nfs/dbraw/zinc/36/23/07/599362307.db2.gz ZVOHJTSGIRLZLL-JTQLQIEISA-N -1 1 378.389 1.147 20 0 GDADMM C[C@@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)Oc1cccc(F)c1 ZINC000820276798 599362310 /nfs/dbraw/zinc/36/23/10/599362310.db2.gz ZVOHJTSGIRLZLL-JTQLQIEISA-N -1 1 378.389 1.147 20 0 GDADMM Cc1nonc1C[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C(F)(F)F ZINC000822530516 599365948 /nfs/dbraw/zinc/36/59/48/599365948.db2.gz FEFQGKBBOKITSA-UHFFFAOYSA-N -1 1 389.319 1.055 20 0 GDADMM CC(C)N1C(=O)CN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1(C)C ZINC000820128056 599369087 /nfs/dbraw/zinc/36/90/87/599369087.db2.gz PRARBKPDOMYCJK-UHFFFAOYSA-N -1 1 396.448 1.026 20 0 GDADMM CO[C@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc(Cl)c1 ZINC000821677032 599374634 /nfs/dbraw/zinc/37/46/34/599374634.db2.gz MWOZWGBIDLIKMX-CQSZACIVSA-N -1 1 394.844 1.581 20 0 GDADMM CO[C@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc(Cl)c1 ZINC000821677032 599374637 /nfs/dbraw/zinc/37/46/37/599374637.db2.gz MWOZWGBIDLIKMX-CQSZACIVSA-N -1 1 394.844 1.581 20 0 GDADMM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3ccc(-c4nn[nH]n4)cc3)cc21 ZINC000365439747 599381376 /nfs/dbraw/zinc/38/13/76/599381376.db2.gz ZXSMWDHQHKTQAG-UHFFFAOYSA-N -1 1 398.448 1.967 20 0 GDADMM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3cccc(-c4nn[nH]n4)c3)cc21 ZINC000476172096 599381694 /nfs/dbraw/zinc/38/16/94/599381694.db2.gz SWBBPPSOSLQNHD-UHFFFAOYSA-N -1 1 398.448 1.967 20 0 GDADMM COc1ccc([C@@H](CNc2cccc(-c3nn[n-]n3)n2)N2CCOCC2)cc1 ZINC000737074435 599395238 /nfs/dbraw/zinc/39/52/38/599395238.db2.gz IEGBOBXNNKGDML-QGZVFWFLSA-N -1 1 381.440 1.756 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCCN1C(=S)N=NC1C ZINC000822542297 599398068 /nfs/dbraw/zinc/39/80/68/599398068.db2.gz XLCWYIOKYFDLRH-UHFFFAOYSA-N -1 1 399.440 1.177 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCN1C(=S)N=NC1C ZINC000822542297 599398071 /nfs/dbraw/zinc/39/80/71/599398071.db2.gz XLCWYIOKYFDLRH-UHFFFAOYSA-N -1 1 399.440 1.177 20 0 GDADMM CCOc1ccccc1C(=O)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000736654287 599411591 /nfs/dbraw/zinc/41/15/91/599411591.db2.gz JDEBHRZGHHPBKF-UHFFFAOYSA-N -1 1 379.424 1.623 20 0 GDADMM CCOc1ccccc1C(=O)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000736654287 599411593 /nfs/dbraw/zinc/41/15/93/599411593.db2.gz JDEBHRZGHHPBKF-UHFFFAOYSA-N -1 1 379.424 1.623 20 0 GDADMM CCN(CC)S(=O)(=O)c1ccc(CNCc2ccc(-c3nnn[n-]3)o2)s1 ZINC000821199124 599416276 /nfs/dbraw/zinc/41/62/76/599416276.db2.gz ZHAHHTXBJIBFTI-UHFFFAOYSA-N -1 1 396.498 1.842 20 0 GDADMM CCN(CC)S(=O)(=O)c1ccc(CNCc2ccc(-c3nn[n-]n3)o2)s1 ZINC000821199124 599416278 /nfs/dbraw/zinc/41/62/78/599416278.db2.gz ZHAHHTXBJIBFTI-UHFFFAOYSA-N -1 1 396.498 1.842 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cc1-c1nn[n-]n1 ZINC000821978817 599456686 /nfs/dbraw/zinc/45/66/86/599456686.db2.gz MZAZFQQPJYHCJM-XXILOJSOSA-N -1 1 390.469 1.623 20 0 GDADMM Cc1ccccc1O[C@@H](C)C(=O)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000737433582 599473568 /nfs/dbraw/zinc/47/35/68/599473568.db2.gz APRBXABGVXHDCR-HNNXBMFYSA-N -1 1 393.451 1.686 20 0 GDADMM Cc1ccccc1O[C@@H](C)C(=O)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000737433582 599473571 /nfs/dbraw/zinc/47/35/71/599473571.db2.gz APRBXABGVXHDCR-HNNXBMFYSA-N -1 1 393.451 1.686 20 0 GDADMM C[C@@H](O)CNC(=O)c1cccc(Oc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000820481690 599559202 /nfs/dbraw/zinc/55/92/02/599559202.db2.gz YJFLFOPSHJUNIZ-LLVKDONJSA-N -1 1 391.391 1.713 20 0 GDADMM CCN(CC)C(=O)CN(C)[C@@H](C)C(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000821175873 599635567 /nfs/dbraw/zinc/63/55/67/599635567.db2.gz XSRZRXXYBIDBCU-NSHDSACASA-N -1 1 377.449 1.204 20 0 GDADMM COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821653516 599651890 /nfs/dbraw/zinc/65/18/90/599651890.db2.gz CTNIYAVVWQLEBD-HOCLYGCPSA-N -1 1 384.440 1.846 20 0 GDADMM COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821653516 599651891 /nfs/dbraw/zinc/65/18/91/599651891.db2.gz CTNIYAVVWQLEBD-HOCLYGCPSA-N -1 1 384.440 1.846 20 0 GDADMM CC[C@H]1Oc2cc([C@H](C)NC(=O)c3ccc(-c4nnn[n-]4)nc3)ccc2NC1=O ZINC000821001198 599655282 /nfs/dbraw/zinc/65/52/82/599655282.db2.gz PTEWLWKJRJNAGB-ZUZCIYMTSA-N -1 1 393.407 1.862 20 0 GDADMM CC[C@H]1Oc2cc([C@H](C)NC(=O)c3ccc(-c4nn[n-]n4)nc3)ccc2NC1=O ZINC000821001198 599655283 /nfs/dbraw/zinc/65/52/83/599655283.db2.gz PTEWLWKJRJNAGB-ZUZCIYMTSA-N -1 1 393.407 1.862 20 0 GDADMM O=C(OCc1nc(CCc2ccccc2)no1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823440066 599661885 /nfs/dbraw/zinc/66/18/85/599661885.db2.gz AZBJAVVELVIENP-UHFFFAOYSA-N -1 1 377.364 1.787 20 0 GDADMM O=C(OCc1nc(CCc2ccccc2)no1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823440066 599661886 /nfs/dbraw/zinc/66/18/86/599661886.db2.gz AZBJAVVELVIENP-UHFFFAOYSA-N -1 1 377.364 1.787 20 0 GDADMM Cc1nn(-c2ccccc2)c(COC(=O)c2nnn(C)c2C)c1-c1nn[n-]n1 ZINC000822486585 599664159 /nfs/dbraw/zinc/66/41/59/599664159.db2.gz PPRYESPYKYGHOG-UHFFFAOYSA-N -1 1 379.384 1.155 20 0 GDADMM C[C@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C[C@@H](C(F)(F)F)O1 ZINC000820768754 599682975 /nfs/dbraw/zinc/68/29/75/599682975.db2.gz PFLKCIMFEWHJKO-CPCISQLKSA-N -1 1 395.338 1.346 20 0 GDADMM CC(C)CCOc1ccc(Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1 ZINC000820077074 599688680 /nfs/dbraw/zinc/68/86/80/599688680.db2.gz ZVGVWTIPJJHUHQ-UHFFFAOYSA-N -1 1 385.428 1.433 20 0 GDADMM CC[C@H](O)CCCNC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000820931616 599692081 /nfs/dbraw/zinc/69/20/81/599692081.db2.gz HHTDOWVZGQYOIC-ZDUSSCGKSA-N -1 1 386.460 1.126 20 0 GDADMM CC[C@H](O)CCCNC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000820931616 599692082 /nfs/dbraw/zinc/69/20/82/599692082.db2.gz HHTDOWVZGQYOIC-ZDUSSCGKSA-N -1 1 386.460 1.126 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCCN1CC(=O)NCCC(=O)[O-] ZINC000736274602 599713956 /nfs/dbraw/zinc/71/39/56/599713956.db2.gz VGUHIQJBQHFJNJ-GJZGRUSLSA-N -1 1 383.489 1.831 20 0 GDADMM CC(C)CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000736442036 599721163 /nfs/dbraw/zinc/72/11/63/599721163.db2.gz BJYRSPLZHFINHT-ZDUSSCGKSA-N -1 1 396.419 1.327 20 0 GDADMM CC(C)[C@H](C(=O)Nc1cccc(S(=O)(=O)NCC(=O)[O-])c1)N1CCCCC1 ZINC000736348703 599734024 /nfs/dbraw/zinc/73/40/24/599734024.db2.gz BVVDHJABXAWLPS-QGZVFWFLSA-N -1 1 397.497 1.499 20 0 GDADMM COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)NCCN2[C@@H](C)CCC[C@@H]2C)c1 ZINC000737654774 599780163 /nfs/dbraw/zinc/78/01/63/599780163.db2.gz VEPMGKQGVOEJDS-STQMWFEESA-N -1 1 398.481 1.713 20 0 GDADMM C[C@@H](C(=O)NCC(=O)[O-])N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000736209234 599850012 /nfs/dbraw/zinc/85/00/12/599850012.db2.gz RFVMKFFUTSWWFP-WCQYABFASA-N -1 1 376.388 1.644 20 0 GDADMM C[C@@H](Sc1ccccc1C(=O)N1CCN(C(=O)CN(C)C)CC1)C(=O)[O-] ZINC000736713385 599853761 /nfs/dbraw/zinc/85/37/61/599853761.db2.gz UELFCTMBLBENQO-CYBMUJFWSA-N -1 1 379.482 1.098 20 0 GDADMM Cc1cncc(C=CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1 ZINC000822399356 607404323 /nfs/dbraw/zinc/40/43/23/607404323.db2.gz DTKDMZOKTUEPRJ-RDFMZFSFSA-N -1 1 391.439 1.111 20 0 GDADMM Cc1cncc(C=CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1 ZINC000822399356 607404324 /nfs/dbraw/zinc/40/43/24/607404324.db2.gz DTKDMZOKTUEPRJ-RDFMZFSFSA-N -1 1 391.439 1.111 20 0 GDADMM C[C@@H](CN(C(=O)CCn1c(=O)c2ccccc2[nH]c1=S)C1CC1)C(=O)[O-] ZINC000736562031 599930508 /nfs/dbraw/zinc/93/05/08/599930508.db2.gz LYOMTYLWYMHKLO-NSHDSACASA-N -1 1 375.450 1.787 20 0 GDADMM C[C@@H]1CN(CCCNC(=O)NCCOc2ccc(C(=O)[O-])cc2)C[C@H](C)O1 ZINC000736806027 599941591 /nfs/dbraw/zinc/94/15/91/599941591.db2.gz APHLMPAIGRRFNY-GASCZTMLSA-N -1 1 379.457 1.562 20 0 GDADMM C[C@@H](CN(CC(=O)Nc1ccc(CN2CCOCC2)cc1)C1CC1)C(=O)[O-] ZINC000736579582 599947959 /nfs/dbraw/zinc/94/79/59/599947959.db2.gz SYXIVYWIHVFZBO-HNNXBMFYSA-N -1 1 375.469 1.642 20 0 GDADMM C[C@@H](CN(CC(=O)N(C)CC(=O)Nc1ccccc1Cl)C1CC1)C(=O)[O-] ZINC000736580004 599949380 /nfs/dbraw/zinc/94/93/80/599949380.db2.gz WGERVBQFSGVANP-LBPRGKRZSA-N -1 1 381.860 1.922 20 0 GDADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000736650405 599954432 /nfs/dbraw/zinc/95/44/32/599954432.db2.gz OBESQDTZIRCHBL-ZDUSSCGKSA-N -1 1 380.404 1.795 20 0 GDADMM CC[C@H]1CN(CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000736943975 599960982 /nfs/dbraw/zinc/96/09/82/599960982.db2.gz QYOMJYDDSVZLEP-RISCZKNCSA-N -1 1 383.514 1.779 20 0 GDADMM CC[C@H]1CN(CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])CCN1C[C@@H](C)O ZINC000736943975 599960983 /nfs/dbraw/zinc/96/09/83/599960983.db2.gz QYOMJYDDSVZLEP-RISCZKNCSA-N -1 1 383.514 1.779 20 0 GDADMM CN(CCN1CCCC1)S(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 ZINC000315904234 599985113 /nfs/dbraw/zinc/98/51/13/599985113.db2.gz MVDJERMCQPVUJU-UHFFFAOYSA-N -1 1 391.287 1.864 20 0 GDADMM CC(=O)N1CCCCC[C@H]1C1CCN(CC(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000736135155 599994601 /nfs/dbraw/zinc/99/46/01/599994601.db2.gz OKDUUEFMUYSJEU-IBGZPJMESA-N -1 1 393.528 1.813 20 0 GDADMM Cc1cccc(N2CCN(CCCNC(=O)N3CCO[C@H](C(=O)[O-])C3)CC2)c1 ZINC000738311383 600035908 /nfs/dbraw/zinc/03/59/08/600035908.db2.gz GAFNWOXRLWOVLC-SFHVURJKSA-N -1 1 390.484 1.002 20 0 GDADMM COc1ccccc1[C@@H](CNC(=O)N1CCO[C@H](C(=O)[O-])C1)N1CCCCC1 ZINC000738119553 600037577 /nfs/dbraw/zinc/03/75/77/600037577.db2.gz JKKBOPBLFIIIHV-AEFFLSMTSA-N -1 1 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COc1ccc(-c2nc(CNC(=O)NCC[C@H]3CCN(C(=O)[O-])C3)n[nH]2)cc1 ZINC000739880139 602630092 /nfs/dbraw/zinc/63/00/92/602630092.db2.gz UBCYDJNLJVVZFU-LBPRGKRZSA-N -1 1 388.428 1.670 20 0 GDADMM C[C@@H](CNC(=O)C(=O)Nc1ccc(NC(=O)[O-])nc1)[N@@H+](C)Cc1ccccc1 ZINC000738913303 602642589 /nfs/dbraw/zinc/64/25/89/602642589.db2.gz TYLHFFSYDQZFHO-ZDUSSCGKSA-N -1 1 385.424 1.747 20 0 GDADMM O=S(=O)(N[C@H]1CCOc2ccccc21)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826489141 607578931 /nfs/dbraw/zinc/57/89/31/607578931.db2.gz IRGWRMHVPUNKBF-ZDUSSCGKSA-N -1 1 375.385 1.808 20 0 GDADMM C[C@H](CN1CCN(C)CC1)NC(=O)C1(c2ccccc2)CCN(C(=O)[O-])CC1 ZINC000738913351 602735714 /nfs/dbraw/zinc/73/57/14/602735714.db2.gz UYPDBQQLTGKFLS-QGZVFWFLSA-N -1 1 388.512 1.450 20 0 GDADMM C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739173863 602760949 /nfs/dbraw/zinc/76/09/49/602760949.db2.gz GNOLOINZCINMJL-IJEWVQPXSA-N -1 1 391.468 1.483 20 0 GDADMM C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739173168 602761273 /nfs/dbraw/zinc/76/12/73/602761273.db2.gz FYMHJEVHLQODCA-VKJFTORMSA-N -1 1 392.475 1.841 20 0 GDADMM CN(C)C(=O)c1ccc(OS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000825845365 607585419 /nfs/dbraw/zinc/58/54/19/607585419.db2.gz FYGIIYUVLFOBBT-UHFFFAOYSA-N -1 1 391.384 1.475 20 0 GDADMM CN(C)C(=O)c1ccc(OS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000825845365 607585421 /nfs/dbraw/zinc/58/54/21/607585421.db2.gz FYGIIYUVLFOBBT-UHFFFAOYSA-N -1 1 391.384 1.475 20 0 GDADMM C[C@H]1CCCC[C@H]1OCCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824936784 607587995 /nfs/dbraw/zinc/58/79/95/607587995.db2.gz LVPWCGKVLLLXMP-WCQYABFASA-N -1 1 383.449 1.879 20 0 GDADMM C[C@H]1CCCC[C@H]1OCCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824936784 607587997 /nfs/dbraw/zinc/58/79/97/607587997.db2.gz LVPWCGKVLLLXMP-WCQYABFASA-N -1 1 383.449 1.879 20 0 GDADMM CC(=O)Nc1cccc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000824004641 607588261 /nfs/dbraw/zinc/58/82/61/607588261.db2.gz BCAZLQQCNHWIDF-UHFFFAOYSA-N -1 1 390.400 1.443 20 0 GDADMM CC(=O)Nc1cccc(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000824004641 607588262 /nfs/dbraw/zinc/58/82/62/607588262.db2.gz BCAZLQQCNHWIDF-UHFFFAOYSA-N -1 1 390.400 1.443 20 0 GDADMM CCOc1ccccc1CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825653726 607595292 /nfs/dbraw/zinc/59/52/92/607595292.db2.gz INWIBOCJZYHVAN-UHFFFAOYSA-N -1 1 377.401 1.883 20 0 GDADMM CCOc1ccccc1CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825653726 607595294 /nfs/dbraw/zinc/59/52/94/607595294.db2.gz INWIBOCJZYHVAN-UHFFFAOYSA-N -1 1 377.401 1.883 20 0 GDADMM Cc1nc(CN2CCN(C(=O)[C@H](C)[C@H](NC(=O)[O-])c3ccccc3)CC2)n[nH]1 ZINC000830752517 602956952 /nfs/dbraw/zinc/95/69/52/602956952.db2.gz YVVBUAPVSGAUHP-DYVFJYSZSA-N -1 1 386.456 1.402 20 0 GDADMM O=C([O-])NC[C@H]1CCC[C@H]1NC(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000740622960 602974375 /nfs/dbraw/zinc/97/43/75/602974375.db2.gz PYXRJNJOVJTCAT-DGCLKSJQSA-N -1 1 390.465 1.628 20 0 GDADMM NC(=O)c1ccc(Cl)cc1OS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826393500 607601279 /nfs/dbraw/zinc/60/12/79/607601279.db2.gz VAYGIZGMDLWOFE-UHFFFAOYSA-N -1 1 397.775 1.526 20 0 GDADMM NC(=O)c1ccc(Cl)cc1OS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826393500 607601280 /nfs/dbraw/zinc/60/12/80/607601280.db2.gz VAYGIZGMDLWOFE-UHFFFAOYSA-N -1 1 397.775 1.526 20 0 GDADMM NC(=O)c1ccc(Cl)cc1OS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000826393117 607601308 /nfs/dbraw/zinc/60/13/08/607601308.db2.gz CBZODNAFNNHCNY-UHFFFAOYSA-N -1 1 379.785 1.387 20 0 GDADMM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)Nc1cccc(CN2CCN(C)CC2)c1 ZINC000739199525 603122300 /nfs/dbraw/zinc/12/23/00/603122300.db2.gz HYUWHIBDCAVCDL-RHSMWYFYSA-N -1 1 390.484 1.876 20 0 GDADMM C[C@@H]1CN(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)C[C@H](C)N1C(=O)[O-] ZINC000739147025 603126807 /nfs/dbraw/zinc/12/68/07/603126807.db2.gz MXALYZZQGMUJER-PHIMTYICSA-N -1 1 376.392 1.893 20 0 GDADMM C[C@@H]1CN(C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)C[C@H](C)N1C(=O)[O-] ZINC000739147025 603126809 /nfs/dbraw/zinc/12/68/09/603126809.db2.gz MXALYZZQGMUJER-PHIMTYICSA-N -1 1 376.392 1.893 20 0 GDADMM O=C([O-])NCC1CCN(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)CC1 ZINC000740639132 603128416 /nfs/dbraw/zinc/12/84/16/603128416.db2.gz IAVVMOSBTALUSH-UHFFFAOYSA-N -1 1 376.392 1.800 20 0 GDADMM O=C([O-])NCC1CCN(C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)CC1 ZINC000740639132 603128418 /nfs/dbraw/zinc/12/84/18/603128418.db2.gz IAVVMOSBTALUSH-UHFFFAOYSA-N -1 1 376.392 1.800 20 0 GDADMM Cc1cnn([C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3-c3nn[n-]n3)C2)c1 ZINC000826319698 607613531 /nfs/dbraw/zinc/61/35/31/607613531.db2.gz OGACPVLGFWTQPN-ZDUSSCGKSA-N -1 1 391.432 1.537 20 0 GDADMM Cc1cnn([C@H]2CCCN(S(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)C2)c1 ZINC000826319624 607613623 /nfs/dbraw/zinc/61/36/23/607613623.db2.gz KVNVKYOLGBHKMH-LBPRGKRZSA-N -1 1 391.432 1.537 20 0 GDADMM Cc1cnn([C@H]2CCCN(S(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)C2)c1 ZINC000826319624 607613624 /nfs/dbraw/zinc/61/36/24/607613624.db2.gz KVNVKYOLGBHKMH-LBPRGKRZSA-N -1 1 391.432 1.537 20 0 GDADMM CN1CCN(c2ccc(CNC(=O)[C@H]3CCC[C@@H](NC(=O)[O-])C3)cn2)CC1 ZINC000739736348 603235596 /nfs/dbraw/zinc/23/55/96/603235596.db2.gz KKCQAMPNQHGMDM-JKSUJKDBSA-N -1 1 375.473 1.276 20 0 GDADMM C[C@@H](NC(=O)[C@H]1CCN(C(=O)[O-])C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000738963363 603239395 /nfs/dbraw/zinc/23/93/95/603239395.db2.gz VUCMQXSLYVZWKQ-KGLIPLIRSA-N -1 1 378.448 1.755 20 0 GDADMM CCNC(=O)c1ccc(OS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000825476201 607616975 /nfs/dbraw/zinc/61/69/75/607616975.db2.gz BYMWVAKBTYPXRY-UHFFFAOYSA-N -1 1 391.384 1.523 20 0 GDADMM CCNC(=O)c1ccc(OS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000825476201 607616977 /nfs/dbraw/zinc/61/69/77/607616977.db2.gz BYMWVAKBTYPXRY-UHFFFAOYSA-N -1 1 391.384 1.523 20 0 GDADMM O=C([O-])N[C@H](C(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1)c1cccc(Cl)c1 ZINC000740529771 603305760 /nfs/dbraw/zinc/30/57/60/603305760.db2.gz IYUUABMNFNWFNV-JYJNAYRXSA-N -1 1 381.860 1.706 20 0 GDADMM O=S(=O)(N[C@@H](CO)Cc1ccccc1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826487336 607623873 /nfs/dbraw/zinc/62/38/73/607623873.db2.gz LPCYJISCUYBAMN-GFCCVEGCSA-N -1 1 393.856 1.402 20 0 GDADMM O=S(=O)(N[C@@H](CO)Cc1ccccc1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826487336 607623875 /nfs/dbraw/zinc/62/38/75/607623875.db2.gz LPCYJISCUYBAMN-GFCCVEGCSA-N -1 1 393.856 1.402 20 0 GDADMM COc1cc(NC(=O)C(=O)NCCCc2cn[nH]c2C)ccc1NC(=O)[O-] ZINC000739865559 603383805 /nfs/dbraw/zinc/38/38/05/603383805.db2.gz MAGFRISAZYCWIF-UHFFFAOYSA-N -1 1 375.385 1.504 20 0 GDADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N(C)[C@@H](C)CNC(=O)[O-] ZINC000827418351 603393762 /nfs/dbraw/zinc/39/37/62/603393762.db2.gz NQEHMSYMEMWRSB-AWEZNQCLSA-N -1 1 393.488 1.957 20 0 GDADMM C[C@H](Cc1cccc(O)c1)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824457521 607627927 /nfs/dbraw/zinc/62/79/27/607627927.db2.gz OPJHIUZIGKLPDG-SNVBAGLBSA-N -1 1 377.401 1.621 20 0 GDADMM COC(=O)[C@@]1(NC(=O)CC(C)(C)NC(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000828624348 603444889 /nfs/dbraw/zinc/44/48/89/603444889.db2.gz NPUSRKJHRSNZLG-HXUWFJFHSA-N -1 1 391.468 1.747 20 0 GDADMM Cc1nc([C@@H]2CN(C(=O)Nc3cccc4c3CCN(C(=O)[O-])C4)CCO2)n[nH]1 ZINC000830678586 603457008 /nfs/dbraw/zinc/45/70/08/603457008.db2.gz PZMALEVOXKLXMV-HNNXBMFYSA-N -1 1 386.412 1.755 20 0 GDADMM COC1CCN(CCNC(=O)C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)CC1 ZINC000828879959 603463322 /nfs/dbraw/zinc/46/33/22/603463322.db2.gz DDXCOGYXGWBMET-CYBMUJFWSA-N -1 1 392.456 1.181 20 0 GDADMM O=C([O-])N1CCN(C(=O)CNC(=O)c2c(O)cc(Cl)cc2Cl)CC1 ZINC000831616354 603471355 /nfs/dbraw/zinc/47/13/55/603471355.db2.gz UOVLBYMXUTVZNB-UHFFFAOYSA-N -1 1 376.196 1.251 20 0 GDADMM O=C([O-])N[C@@H](CC(=O)N1CCN(C2CCOCC2)CC1)Cc1ccccc1 ZINC000832100419 603476011 /nfs/dbraw/zinc/47/60/11/603476011.db2.gz YNAGNPSAQMIBTJ-QGZVFWFLSA-N -1 1 375.469 1.579 20 0 GDADMM O=S(=O)(NCc1cccc(CO)c1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826491982 607633166 /nfs/dbraw/zinc/63/31/66/607633166.db2.gz MTLVWJTYIFWFJC-UHFFFAOYSA-N -1 1 379.829 1.491 20 0 GDADMM O=S(=O)(NCc1cccc(CO)c1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826491982 607633168 /nfs/dbraw/zinc/63/31/68/607633168.db2.gz MTLVWJTYIFWFJC-UHFFFAOYSA-N -1 1 379.829 1.491 20 0 GDADMM C[C@@H](C(=O)N1CCN(C2CCOCC2)CC1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823668097 603512776 /nfs/dbraw/zinc/51/27/76/603512776.db2.gz BROWGLMPOAANMS-CRAIPNDOSA-N -1 1 375.469 1.955 20 0 GDADMM CC(C)(C)[C@H](O)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824072689 607635238 /nfs/dbraw/zinc/63/52/38/607635238.db2.gz XROIKWPQRSKVOI-LLVKDONJSA-N -1 1 393.391 1.571 20 0 GDADMM CN(C)Cc1ccc(C(N)=O)cc1NC(=O)NCC1CCN(C(=O)[O-])CC1 ZINC000828042986 603563276 /nfs/dbraw/zinc/56/32/76/603563276.db2.gz XANOWCGTPYLUNT-UHFFFAOYSA-N -1 1 377.445 1.359 20 0 GDADMM CN(C)Cc1ccc(C(N)=O)cc1NC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000828043046 603563291 /nfs/dbraw/zinc/56/32/91/603563291.db2.gz YPRSILOKARTJDP-GOOCMWNKSA-N -1 1 389.456 1.642 20 0 GDADMM O=C([O-])N[C@H](CC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1)Cc1ccccc1 ZINC000832100028 603578938 /nfs/dbraw/zinc/57/89/38/603578938.db2.gz SMOYIJOEFCNXTP-RCCFBDPRSA-N -1 1 375.469 1.313 20 0 GDADMM CCCCNC(=O)[C@@H]1CC[C@@H](C)N(CN2CC3(CN(C(=O)[O-])C3)CC2=O)C1 ZINC000826836677 603586397 /nfs/dbraw/zinc/58/63/97/603586397.db2.gz OTUKHWLNDRAUKU-HUUCEWRRSA-N -1 1 380.489 1.173 20 0 GDADMM O=S(=O)(N[C@@H](CCCO)c1ccccc1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826487459 607644393 /nfs/dbraw/zinc/64/43/93/607644393.db2.gz PIZBRLHCDOZSEB-AWEZNQCLSA-N -1 1 391.428 1.798 20 0 GDADMM O=S(=O)(N[C@@H](CCCO)c1ccccc1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826487459 607644394 /nfs/dbraw/zinc/64/43/94/607644394.db2.gz PIZBRLHCDOZSEB-AWEZNQCLSA-N -1 1 391.428 1.798 20 0 GDADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N1CCC[C@@H](C)[C@@H]1CNC(=O)[O-] ZINC000825459001 603690207 /nfs/dbraw/zinc/69/02/07/603690207.db2.gz LTVYBQNLRRDLPJ-XUJVJEKNSA-N -1 1 387.440 1.576 20 0 GDADMM CN(C[C@@H]1CCCN1C(=O)NC1CCN(Cc2ccncc2)CC1)C(=O)[O-] ZINC000828197708 603700697 /nfs/dbraw/zinc/70/06/97/603700697.db2.gz DVOREOPYVBVYJD-KRWDZBQOSA-N -1 1 375.473 1.830 20 0 GDADMM C[C@H]1CCCN(CC(=O)N2CCN(Cc3ccco3)CC2)[C@H]1CNC(=O)[O-] ZINC000825919842 603713840 /nfs/dbraw/zinc/71/38/40/603713840.db2.gz TWLXFGLBMKZUSA-RDJZCZTQSA-N -1 1 378.473 1.292 20 0 GDADMM O=C([O-])N1CC[NH+](CCCNC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])CC1 ZINC000831675693 603747660 /nfs/dbraw/zinc/74/76/60/603747660.db2.gz HIJIQTZRVJERNU-UHFFFAOYSA-N -1 1 391.403 1.133 20 0 GDADMM Cc1cc(CN2CCSCC2)ccc1NC(=O)COC1CN(C(=O)[O-])C1 ZINC000830035897 603751239 /nfs/dbraw/zinc/75/12/39/603751239.db2.gz GSGSSNFPRJOJSW-UHFFFAOYSA-N -1 1 379.482 1.861 20 0 GDADMM CC(=O)N(C)c1ccc(OS(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)cc1 ZINC000823966868 607650082 /nfs/dbraw/zinc/65/00/82/607650082.db2.gz DFAXYRLTYFVDQC-UHFFFAOYSA-N -1 1 387.421 1.926 20 0 GDADMM O=S(=O)(NC[C@H]1OCCc2sccc21)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826491170 607651227 /nfs/dbraw/zinc/65/12/27/607651227.db2.gz WWRBIDDISGJZNP-GFCCVEGCSA-N -1 1 395.441 1.660 20 0 GDADMM COc1ccc(OS(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)cc1OC ZINC000826211817 607655085 /nfs/dbraw/zinc/65/50/85/607655085.db2.gz VUFHWAVKBRIKIJ-UHFFFAOYSA-N -1 1 376.394 1.960 20 0 GDADMM O=S(=O)(NCCOC1CCC1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826491653 607655154 /nfs/dbraw/zinc/65/51/54/607655154.db2.gz UHHGIYUHKBWBME-UHFFFAOYSA-N -1 1 391.375 1.733 20 0 GDADMM CC(C)CN1CCO[C@@H](CNC(=O)NC[C@H](NC(=O)[O-])c2ccccc2)C1 ZINC000824256022 603891541 /nfs/dbraw/zinc/89/15/41/603891541.db2.gz ABPYCZPDDFDAAT-IRXDYDNUSA-N -1 1 378.473 1.651 20 0 GDADMM CC(=O)N1CCC[C@H](C(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)C1 ZINC000823550723 603910733 /nfs/dbraw/zinc/91/07/33/603910733.db2.gz XQBQHWROLHUONQ-ZDUSSCGKSA-N -1 1 386.412 1.436 20 0 GDADMM CC(=O)N1CCC[C@H](C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)C1 ZINC000823550723 603910736 /nfs/dbraw/zinc/91/07/36/603910736.db2.gz XQBQHWROLHUONQ-ZDUSSCGKSA-N -1 1 386.412 1.436 20 0 GDADMM COC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826149928 607659438 /nfs/dbraw/zinc/65/94/38/607659438.db2.gz RXCFWNYCQWMPMS-CQSZACIVSA-N -1 1 391.428 1.542 20 0 GDADMM CCN(CC1CCN(C(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)CC1)C(=O)[O-] ZINC000827071119 603920389 /nfs/dbraw/zinc/92/03/89/603920389.db2.gz ZBADVYLQHJFNLB-HOTGVXAUSA-N -1 1 384.521 1.907 20 0 GDADMM CC(C)[C@H](CNC(=O)N[C@H]1CCCC[C@H]1CNC(=O)[O-])N1CCN(C)CC1 ZINC000824117528 603921944 /nfs/dbraw/zinc/92/19/44/603921944.db2.gz PNTBMAPLPZJQAV-ULQDDVLXSA-N -1 1 383.537 1.384 20 0 GDADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000825458606 603922718 /nfs/dbraw/zinc/92/27/18/603922718.db2.gz IXTGXEPURXWWJN-ODWCKFRGSA-N -1 1 385.424 1.471 20 0 GDADMM CCc1nnc([C@@H]2CN(C(=O)C[C@H](Cc3ccccc3)NC(=O)[O-])CCO2)[nH]1 ZINC000827620292 603946730 /nfs/dbraw/zinc/94/67/30/603946730.db2.gz HQUTZOKFPSSPPK-GJZGRUSLSA-N -1 1 387.440 1.536 20 0 GDADMM CCc1nnc([C@@H]2CN(C(=O)[C@H]3CCCCCC[C@H]3NC(=O)[O-])CCO2)[nH]1 ZINC000827620949 603952009 /nfs/dbraw/zinc/95/20/09/603952009.db2.gz OTBYQTZFTDFLKQ-MJBXVCDLSA-N -1 1 379.461 1.874 20 0 GDADMM Cc1nc(CN2CCN(C(=O)C[C@@H](Cc3ccccc3)NC(=O)[O-])CC2)n[nH]1 ZINC000830751272 603984966 /nfs/dbraw/zinc/98/49/66/603984966.db2.gz LJZDSCKDVLNFQC-MRXNPFEDSA-N -1 1 386.456 1.026 20 0 GDADMM Cn1cnc2c1CCN(S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)C2 ZINC000826365029 607666302 /nfs/dbraw/zinc/66/63/02/607666302.db2.gz YCXFBJNDTSBXMU-UHFFFAOYSA-N -1 1 379.833 1.001 20 0 GDADMM Cn1cnc2c1CCN(S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)C2 ZINC000826365029 607666304 /nfs/dbraw/zinc/66/63/04/607666304.db2.gz YCXFBJNDTSBXMU-UHFFFAOYSA-N -1 1 379.833 1.001 20 0 GDADMM CCN(Cc1cccc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)c1)C(=O)[O-] ZINC000827162147 604042256 /nfs/dbraw/zinc/04/22/56/604042256.db2.gz SIQIWPFQCXCZGB-CZUORRHYSA-N -1 1 388.468 1.866 20 0 GDADMM CC(C)(C)C(=O)N[C@H]1CCCN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[O-])C1 ZINC000823748951 604050002 /nfs/dbraw/zinc/05/00/02/604050002.db2.gz JUBFRQUAHSXKDE-BZSNNMDCSA-N -1 1 391.512 1.853 20 0 GDADMM CCO[C@@H](C)c1noc(CN2CCN(CC3CCN(C(=O)[O-])CC3)CC2)n1 ZINC000827372100 604063327 /nfs/dbraw/zinc/06/33/27/604063327.db2.gz OHPKDXILULPCBA-AWEZNQCLSA-N -1 1 381.477 1.675 20 0 GDADMM COc1cc(C)ccc1CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826178483 607669694 /nfs/dbraw/zinc/66/96/94/607669694.db2.gz ZPZOBBHLXAARSE-UHFFFAOYSA-N -1 1 377.401 1.801 20 0 GDADMM O=S(=O)(NCCNc1ccccn1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826491440 607671352 /nfs/dbraw/zinc/67/13/52/607671352.db2.gz JJLNHOBYRCGMEU-UHFFFAOYSA-N -1 1 379.833 1.306 20 0 GDADMM COc1cccc(CN(C)C(=O)CN2CCC[C@H]2CN(C)C(=O)[O-])c1OC ZINC000829556654 604096684 /nfs/dbraw/zinc/09/66/84/604096684.db2.gz RVAXMMFDYCVTHK-HNNXBMFYSA-N -1 1 379.457 1.736 20 0 GDADMM CC(C)[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC000824342177 607671931 /nfs/dbraw/zinc/67/19/31/607671931.db2.gz MEJZTDPBGXUWKS-ZDUSSCGKSA-N -1 1 399.448 1.650 20 0 GDADMM O=S(=O)(N[C@@H]1CCOC2(CCCC2)C1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826488913 607676009 /nfs/dbraw/zinc/67/60/09/607676009.db2.gz CITAZMGSSRWHPN-LLVKDONJSA-N -1 1 381.433 1.776 20 0 GDADMM O=S(=O)(N[C@@H]1CCOC2(CCCC2)C1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826488913 607676011 /nfs/dbraw/zinc/67/60/11/607676011.db2.gz CITAZMGSSRWHPN-LLVKDONJSA-N -1 1 381.433 1.776 20 0 GDADMM COC(=O)C1(N(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCCC1 ZINC000826123601 607676565 /nfs/dbraw/zinc/67/65/65/607676565.db2.gz HKMYNNVLDKRKMY-UHFFFAOYSA-N -1 1 383.405 1.112 20 0 GDADMM COC(=O)C1(N(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCCC1 ZINC000826123601 607676567 /nfs/dbraw/zinc/67/65/67/607676567.db2.gz HKMYNNVLDKRKMY-UHFFFAOYSA-N -1 1 383.405 1.112 20 0 GDADMM CC1(C)C(=O)N(CN2CCC[C@@H](C(=O)N3CCN(C(=O)[O-])CC3)C2)C1(C)C ZINC000825698045 604202928 /nfs/dbraw/zinc/20/29/28/604202928.db2.gz VRMGXUNAJDWPEV-CQSZACIVSA-N -1 1 380.489 1.125 20 0 GDADMM C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)[C@@H](O)Cc1ccccc1 ZINC000824641766 607679267 /nfs/dbraw/zinc/67/92/67/607679267.db2.gz YQIYLFGLYSLQCM-FZMZJTMJSA-N -1 1 391.428 1.276 20 0 GDADMM C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)[C@@H](O)Cc1ccccc1 ZINC000824641766 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Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2Cc1ccc2c(c1)OCCO2 ZINC000826294945 607717716 /nfs/dbraw/zinc/71/77/16/607717716.db2.gz KJHXREDQUGHQHM-UHFFFAOYSA-N -1 1 376.376 1.705 20 0 GDADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CC(=O)NCc1ccc(F)cc1 ZINC000826294936 607717735 /nfs/dbraw/zinc/71/77/35/607717735.db2.gz KDUKMHOEKQVXKX-UHFFFAOYSA-N -1 1 393.382 1.341 20 0 GDADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CC(=O)c1ccc2c(c1)COC2 ZINC000826295120 607718469 /nfs/dbraw/zinc/71/84/69/607718469.db2.gz SDIAMVACTTVBDZ-UHFFFAOYSA-N -1 1 388.387 1.798 20 0 GDADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000827418239 604880445 /nfs/dbraw/zinc/88/04/45/604880445.db2.gz LCXGKNJIRSQOME-QGZVFWFLSA-N -1 1 392.456 1.154 20 0 GDADMM C[C@H]1CCCN(C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)[C@@H]1CNC(=O)[O-] ZINC000825912179 604930225 /nfs/dbraw/zinc/93/02/25/604930225.db2.gz FTTAKAQWUVNVNA-SMDDNHRTSA-N -1 1 390.465 1.580 20 0 GDADMM CCOC(=O)CNC(=O)C1CCN(Cn2nc(C(=O)[O-])c3ccccc32)CC1 ZINC000829852557 604975984 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ZINC000833751395 605204932 /nfs/dbraw/zinc/20/49/32/605204932.db2.gz IDKJXBVPPHRMLE-HNNXBMFYSA-N -1 1 382.482 1.615 20 0 GDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000833619482 605207652 /nfs/dbraw/zinc/20/76/52/605207652.db2.gz HYWYHAHHLOCEST-XJKSGUPXSA-N -1 1 393.871 1.700 20 0 GDADMM C[C@H]1CN(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)CCN1CCC(=O)[O-] ZINC000833618239 605256091 /nfs/dbraw/zinc/25/60/91/605256091.db2.gz MMLBTCSCXOXJSY-AWEZNQCLSA-N -1 1 383.489 1.641 20 0 GDADMM C[C@@H](C[C@@H](O)c1cccs1)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824390626 607744471 /nfs/dbraw/zinc/74/44/71/607744471.db2.gz BWYYMOISOWNCRZ-JOYOIKCWSA-N -1 1 397.457 1.858 20 0 GDADMM O=C(CO[C@H]1CCCN(C(=O)[O-])C1)NC1CCN(Cc2ccncc2)CC1 ZINC000831513599 605269768 /nfs/dbraw/zinc/26/97/68/605269768.db2.gz QSKYRGKGSHMIHY-KRWDZBQOSA-N -1 1 376.457 1.321 20 0 GDADMM C[C@@H]1CN(C(=O)[C@H]2CSCN2C(=O)C2CCCC2)CCN1CCC(=O)[O-] ZINC000833618829 605276614 /nfs/dbraw/zinc/27/66/14/605276614.db2.gz RDEFQNFRVWJGTA-UKRRQHHQSA-N -1 1 383.514 1.086 20 0 GDADMM CN1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cc(Br)ccc1[O-] ZINC000529750360 649956578 /nfs/dbraw/zinc/95/65/78/649956578.db2.gz FABNQUDYMHBKCF-QGZVFWFLSA-N -1 1 399.285 1.500 20 0 GDADMM Cn1cncc1[C@@H]1CC(=O)N(CN2CCC[C@H]([C@H]3CCCN3C(=O)[O-])C2)C1 ZINC000833958120 605319218 /nfs/dbraw/zinc/31/92/18/605319218.db2.gz BBYASAZZUMBJLF-ARFHVFGLSA-N -1 1 375.473 1.548 20 0 GDADMM CC1=C(C(=O)[O-])C[C@@H](CN(C)CCCOc2ccc(S(C)(=O)=O)cc2)O1 ZINC000833579163 605323377 /nfs/dbraw/zinc/32/33/77/605323377.db2.gz YGPVJMYDPMAHNT-HNNXBMFYSA-N -1 1 383.466 1.938 20 0 GDADMM Cc1nnc(SCCC(=O)Nc2cnc3c(c2)C[C@H](NC(=O)[O-])CC3)[nH]1 ZINC000833928045 605329177 /nfs/dbraw/zinc/32/91/77/605329177.db2.gz QMYGJNRLGIBRCB-LLVKDONJSA-N -1 1 376.442 1.754 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC(C2CCOCC2)CC1 ZINC000826494876 607748433 /nfs/dbraw/zinc/74/84/33/607748433.db2.gz SWCDFLVZBGREQT-UHFFFAOYSA-N -1 1 378.458 1.089 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC(C2CCOCC2)CC1 ZINC000826494876 607748434 /nfs/dbraw/zinc/74/84/34/607748434.db2.gz SWCDFLVZBGREQT-UHFFFAOYSA-N -1 1 378.458 1.089 20 0 GDADMM C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000825810055 605366134 /nfs/dbraw/zinc/36/61/34/605366134.db2.gz SHPOIGMAHRMHIR-NWDGAFQWSA-N -1 1 390.465 1.722 20 0 GDADMM C[C@@]1(C2CCN([C@@H](C(=O)[O-])c3c(F)cccc3Cl)CC2)NC(=O)NC1=O ZINC000833563441 605376361 /nfs/dbraw/zinc/37/63/61/605376361.db2.gz FKSWQRXTDCRQON-DYVFJYSZSA-N -1 1 383.807 1.915 20 0 GDADMM COC(=O)c1cc(NC(=O)CN(C)C[C@@H]2CCCC[C@H]2O)cc(C(=O)[O-])c1 ZINC000833712507 605393850 /nfs/dbraw/zinc/39/38/50/605393850.db2.gz FIIOYYJLFRDAAY-BLLLJJGKSA-N -1 1 378.425 1.593 20 0 GDADMM O=C([O-])N1CCc2ncc(NS(=O)(=O)c3ccc4c(c3)OCO4)cc2C1 ZINC000834119597 605412414 /nfs/dbraw/zinc/41/24/14/605412414.db2.gz FXHFBQGDYMINNT-UHFFFAOYSA-N -1 1 377.378 1.647 20 0 GDADMM CCc1oc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000833683837 605435716 /nfs/dbraw/zinc/43/57/16/605435716.db2.gz VVIMQNVJKVDJTD-ZDUSSCGKSA-N -1 1 387.502 1.091 20 0 GDADMM O=C(C[C@@H]1CSCCN1C(=O)[O-])NC1CCN(Cc2ccccn2)CC1 ZINC000831408562 605613108 /nfs/dbraw/zinc/61/31/08/605613108.db2.gz NXWWFNNGRGZXQP-MRXNPFEDSA-N -1 1 378.498 1.648 20 0 GDADMM O=C([O-])NC[C@H](NC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)C1CC1 ZINC000832428198 605636416 /nfs/dbraw/zinc/63/64/16/605636416.db2.gz ONADACVEKDXRMZ-SQNIBIBYSA-N -1 1 390.484 1.215 20 0 GDADMM COC(=O)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)nc1)Cc1ccccc1OC ZINC000826104100 607771159 /nfs/dbraw/zinc/77/11/59/607771159.db2.gz PMZCOFURHYOKGZ-AWEZNQCLSA-N -1 1 396.407 1.032 20 0 GDADMM COC(=O)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)nc1)Cc1ccccc1OC ZINC000826104100 607771160 /nfs/dbraw/zinc/77/11/60/607771160.db2.gz PMZCOFURHYOKGZ-AWEZNQCLSA-N -1 1 396.407 1.032 20 0 GDADMM CC1(C)CN(C(=O)CN2CCC(NC(=O)[O-])CC2)CCN1Cc1ccccc1 ZINC000825719026 605703076 /nfs/dbraw/zinc/70/30/76/605703076.db2.gz LDFJCFDZBMTDHN-UHFFFAOYSA-N -1 1 388.512 1.841 20 0 GDADMM N=C(NOCc1ccn(-c2c(F)cccc2F)n1)[C@H]1COCCN1C(=O)[O-] ZINC000833980100 605731666 /nfs/dbraw/zinc/73/16/66/605731666.db2.gz MMFYXZMBQVBSAS-CYBMUJFWSA-N -1 1 381.339 1.528 20 0 GDADMM Cc1nc(S(=O)(=O)NC[C@H]2CCCN2C(=O)[O-])sc1Br ZINC000833916255 605783837 /nfs/dbraw/zinc/78/38/37/605783837.db2.gz OYMCTXIRRPMWIG-SSDOTTSWSA-N -1 1 384.277 1.635 20 0 GDADMM C[C@H]1C[C@@H](CNC(=O)[O-])CN1CC(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000833827916 605895042 /nfs/dbraw/zinc/89/50/42/605895042.db2.gz CIGOREHSJRQUEE-RDJZCZTQSA-N -1 1 385.468 1.509 20 0 GDADMM O=C([O-])N1CCN2C(=O)N(CNC3(c4cccc(F)c4)CCOCC3)C[C@H]2C1 ZINC000834118670 605918533 /nfs/dbraw/zinc/91/85/33/605918533.db2.gz ZAFZQQDKUXPQPM-MRXNPFEDSA-N -1 1 392.431 1.478 20 0 GDADMM NC(=O)c1c(NC(=O)CCN2CC[C@H](NC(=O)[O-])C2)sc2c1CCCC2 ZINC000740332090 605920785 /nfs/dbraw/zinc/92/07/85/605920785.db2.gz HAVPUOKDYZCJOQ-JTQLQIEISA-N -1 1 380.470 1.396 20 0 GDADMM O=C([O-])N1CC2(C1)CC(=O)N(CN1CCC[C@H]1Cn1cnc3ccccc31)C2 ZINC000834072117 606055629 /nfs/dbraw/zinc/05/56/29/606055629.db2.gz WDJLVXICEQWLEQ-HNNXBMFYSA-N -1 1 383.452 1.671 20 0 GDADMM O=C([O-])N[C@H](CC(F)F)C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000834131510 606076601 /nfs/dbraw/zinc/07/66/01/606076601.db2.gz IPUHLOMWLONXBM-RBSFLKMASA-N -1 1 385.411 1.277 20 0 GDADMM C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820219719 606135529 /nfs/dbraw/zinc/13/55/29/606135529.db2.gz JLYDVZYDSLYJSG-VIFPVBQESA-N -1 1 387.425 1.313 20 0 GDADMM C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820219719 606135530 /nfs/dbraw/zinc/13/55/30/606135530.db2.gz JLYDVZYDSLYJSG-VIFPVBQESA-N -1 1 387.425 1.313 20 0 GDADMM CC(=O)NCc1ccc(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000819811332 606137018 /nfs/dbraw/zinc/13/70/18/606137018.db2.gz ZBRSOBCQEMHDOG-UHFFFAOYSA-N -1 1 385.405 1.604 20 0 GDADMM CC(=O)NCc1ccc(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000819811332 606137020 /nfs/dbraw/zinc/13/70/20/606137020.db2.gz ZBRSOBCQEMHDOG-UHFFFAOYSA-N -1 1 385.405 1.604 20 0 GDADMM C[C@@H]1CCCC[C@H]1OCCNC(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820702914 606137565 /nfs/dbraw/zinc/13/75/65/606137565.db2.gz BJYBLSVCTBMLHE-VXGBXAGGSA-N -1 1 393.469 1.797 20 0 GDADMM C[C@@H]1CCCC[C@H]1OCCNC(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820702914 606137568 /nfs/dbraw/zinc/13/75/68/606137568.db2.gz BJYBLSVCTBMLHE-VXGBXAGGSA-N -1 1 393.469 1.797 20 0 GDADMM CCN(Cc1ccc(OC)c(OC)c1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821220702 606156791 /nfs/dbraw/zinc/15/67/91/606156791.db2.gz DZNJEHNNXNHHIW-UHFFFAOYSA-N -1 1 386.416 1.671 20 0 GDADMM CCN(Cc1ccc(OC)c(OC)c1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821220702 606156793 /nfs/dbraw/zinc/15/67/93/606156793.db2.gz DZNJEHNNXNHHIW-UHFFFAOYSA-N -1 1 386.416 1.671 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H](c2nccn2C)c2ccccc2)n1 ZINC000822609510 606160231 /nfs/dbraw/zinc/16/02/31/606160231.db2.gz OTPNBHWEWWVNLV-ZDUSSCGKSA-N -1 1 378.400 1.245 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H](c2nccn2C)c2ccccc2)n1 ZINC000822609510 606160234 /nfs/dbraw/zinc/16/02/34/606160234.db2.gz OTPNBHWEWWVNLV-ZDUSSCGKSA-N -1 1 378.400 1.245 20 0 GDADMM COc1cc(C)c([C@H](C)NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1OC ZINC000821707815 606162681 /nfs/dbraw/zinc/16/26/81/606162681.db2.gz FMESOSUMNQESTM-JTQLQIEISA-N -1 1 386.416 1.809 20 0 GDADMM COc1cc(C)c([C@H](C)NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1OC ZINC000821707815 606162683 /nfs/dbraw/zinc/16/26/83/606162683.db2.gz FMESOSUMNQESTM-JTQLQIEISA-N -1 1 386.416 1.809 20 0 GDADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1nc(-c2cccc(F)c2)no1 ZINC000820380025 606165258 /nfs/dbraw/zinc/16/52/58/606165258.db2.gz JXBKRAHLWMXLNS-QMMMGPOBSA-N -1 1 398.362 1.672 20 0 GDADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1nc(-c2cccc(F)c2)no1 ZINC000820380025 606165259 /nfs/dbraw/zinc/16/52/59/606165259.db2.gz JXBKRAHLWMXLNS-QMMMGPOBSA-N -1 1 398.362 1.672 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCOc2cccc(C(F)(F)F)c2)n1 ZINC000822620464 606166554 /nfs/dbraw/zinc/16/65/54/606166554.db2.gz RTXVLIFJDOQBMT-UHFFFAOYSA-N -1 1 396.333 1.820 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCOc2cccc(C(F)(F)F)c2)n1 ZINC000822620464 606166555 /nfs/dbraw/zinc/16/65/55/606166555.db2.gz RTXVLIFJDOQBMT-UHFFFAOYSA-N -1 1 396.333 1.820 20 0 GDADMM C[C@@H]1CN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CCN1C(=O)OC(C)(C)C ZINC000820743428 606171544 /nfs/dbraw/zinc/17/15/44/606171544.db2.gz UGSPCPWTPHKYBO-SNVBAGLBSA-N -1 1 391.436 1.073 20 0 GDADMM C[C@@H]1CN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CCN1C(=O)OC(C)(C)C ZINC000820743428 606171546 /nfs/dbraw/zinc/17/15/46/606171546.db2.gz UGSPCPWTPHKYBO-SNVBAGLBSA-N -1 1 391.436 1.073 20 0 GDADMM CC(=O)c1ccc(S(=O)(=O)N(C)C(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000819834081 606176497 /nfs/dbraw/zinc/17/64/97/606176497.db2.gz LOMXQPVFYUCLLL-UHFFFAOYSA-N -1 1 391.434 1.592 20 0 GDADMM CC(=O)c1ccc(S(=O)(=O)N(C)C(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000819834081 606176498 /nfs/dbraw/zinc/17/64/98/606176498.db2.gz LOMXQPVFYUCLLL-UHFFFAOYSA-N -1 1 391.434 1.592 20 0 GDADMM CC(=O)N1C[C@H](C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])Oc2ccccc21 ZINC000819789403 606294766 /nfs/dbraw/zinc/29/47/66/606294766.db2.gz NMXNVEFXELHGAI-MRXNPFEDSA-N -1 1 380.364 1.325 20 0 GDADMM CSc1nc2ncnc(NCCCc3[nH]nc(N)c3-c3nn[n-]n3)c2s1 ZINC000821989383 606441969 /nfs/dbraw/zinc/44/19/69/606441969.db2.gz KNQMCEUCYDGBHU-UHFFFAOYSA-N -1 1 389.474 1.338 20 0 GDADMM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000820443901 606473692 /nfs/dbraw/zinc/47/36/92/606473692.db2.gz AQRLBUZWGQVTGJ-OHUAYANFSA-N -1 1 386.437 1.493 20 0 GDADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000820443901 606473694 /nfs/dbraw/zinc/47/36/94/606473694.db2.gz AQRLBUZWGQVTGJ-OHUAYANFSA-N -1 1 386.437 1.493 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N(CCC(F)(F)F)CC1CC1 ZINC000823601237 606474597 /nfs/dbraw/zinc/47/45/97/606474597.db2.gz XKGCXPIXPDQGST-UHFFFAOYSA-N -1 1 376.364 1.615 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N(CCC(F)(F)F)CC1CC1 ZINC000823601237 606474599 /nfs/dbraw/zinc/47/45/99/606474599.db2.gz XKGCXPIXPDQGST-UHFFFAOYSA-N -1 1 376.364 1.615 20 0 GDADMM COc1cc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1OCCO ZINC000821717794 606515369 /nfs/dbraw/zinc/51/53/69/606515369.db2.gz YWSRTAZTEFJWRX-UHFFFAOYSA-N -1 1 375.410 1.238 20 0 GDADMM COc1cc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1OCCO ZINC000821717794 606515370 /nfs/dbraw/zinc/51/53/70/606515370.db2.gz YWSRTAZTEFJWRX-UHFFFAOYSA-N -1 1 375.410 1.238 20 0 GDADMM O=C(CCN1C(=O)COc2ccccc21)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822964836 606519084 /nfs/dbraw/zinc/51/90/84/606519084.db2.gz QOJDNXCRFOOOKZ-UHFFFAOYSA-N -1 1 380.364 1.121 20 0 GDADMM O=C(CCN1C(=O)COc2ccccc21)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822964836 606519086 /nfs/dbraw/zinc/51/90/86/606519086.db2.gz QOJDNXCRFOOOKZ-UHFFFAOYSA-N -1 1 380.364 1.121 20 0 GDADMM O=C(NC1CCN(C(=O)c2ccncc2)CC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823150227 606540298 /nfs/dbraw/zinc/54/02/98/606540298.db2.gz MNGBRVGBKUAHQT-UHFFFAOYSA-N -1 1 383.437 1.358 20 0 GDADMM O=C(NC1CCN(C(=O)c2ccncc2)CC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823150227 606540299 /nfs/dbraw/zinc/54/02/99/606540299.db2.gz MNGBRVGBKUAHQT-UHFFFAOYSA-N -1 1 383.437 1.358 20 0 GDADMM COC(=O)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)Cc1ccc(O)cc1 ZINC000821641096 606552399 /nfs/dbraw/zinc/55/23/99/606552399.db2.gz WDOBZYFEHCERFX-LLVKDONJSA-N -1 1 387.421 1.396 20 0 GDADMM COC(=O)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)Cc1ccc(O)cc1 ZINC000821641096 606552401 /nfs/dbraw/zinc/55/24/01/606552401.db2.gz WDOBZYFEHCERFX-LLVKDONJSA-N -1 1 387.421 1.396 20 0 GDADMM NC(=O)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)Cc1ccccc1Cl ZINC000822850500 606555586 /nfs/dbraw/zinc/55/55/86/606555586.db2.gz IMCBPUQYOWFFTD-JTQLQIEISA-N -1 1 390.856 1.656 20 0 GDADMM NC(=O)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)Cc1ccccc1Cl ZINC000822850500 606555587 /nfs/dbraw/zinc/55/55/87/606555587.db2.gz IMCBPUQYOWFFTD-JTQLQIEISA-N -1 1 390.856 1.656 20 0 GDADMM CC(C)[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820017533 606561112 /nfs/dbraw/zinc/56/11/12/606561112.db2.gz ZEACKLWIURUKDL-UWVGGRQHSA-N -1 1 380.499 1.604 20 0 GDADMM CC(C)[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820017533 606561114 /nfs/dbraw/zinc/56/11/14/606561114.db2.gz ZEACKLWIURUKDL-UWVGGRQHSA-N -1 1 380.499 1.604 20 0 GDADMM C[C@@H]1C(=O)Nc2cc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)ccc2N1C ZINC000820641371 606646947 /nfs/dbraw/zinc/64/69/47/606646947.db2.gz BYFWMICCRGTGAW-SNVBAGLBSA-N -1 1 379.380 1.396 20 0 GDADMM C[C@@H]1C(=O)Nc2cc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)ccc2N1C ZINC000820641371 606646948 /nfs/dbraw/zinc/64/69/48/606646948.db2.gz BYFWMICCRGTGAW-SNVBAGLBSA-N -1 1 379.380 1.396 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccnc(OCC(F)(F)F)c1 ZINC000823436472 606647546 /nfs/dbraw/zinc/64/75/46/606647546.db2.gz WWPYTOWNQBUBHI-UHFFFAOYSA-N -1 1 380.286 1.955 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccnc(OCC(F)(F)F)c1 ZINC000823436472 606647547 /nfs/dbraw/zinc/64/75/47/606647547.db2.gz WWPYTOWNQBUBHI-UHFFFAOYSA-N -1 1 380.286 1.955 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cccc(OCC(F)(F)F)n1 ZINC000823436208 606647741 /nfs/dbraw/zinc/64/77/41/606647741.db2.gz LZYXXCBXZCCSAR-UHFFFAOYSA-N -1 1 380.286 1.955 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cccc(OCC(F)(F)F)n1 ZINC000823436208 606647742 /nfs/dbraw/zinc/64/77/42/606647742.db2.gz LZYXXCBXZCCSAR-UHFFFAOYSA-N -1 1 380.286 1.955 20 0 GDADMM C[C@@H](C(=O)OCc1ccnc(-c2nnn[n-]2)c1)S(=O)(=O)c1ccc(F)cc1 ZINC000819882468 606648395 /nfs/dbraw/zinc/64/83/95/606648395.db2.gz AFLHHXYVSPWOIJ-JTQLQIEISA-N -1 1 391.384 1.306 20 0 GDADMM C[C@@H](C(=O)OCc1ccnc(-c2nn[n-]n2)c1)S(=O)(=O)c1ccc(F)cc1 ZINC000819882468 606648396 /nfs/dbraw/zinc/64/83/96/606648396.db2.gz AFLHHXYVSPWOIJ-JTQLQIEISA-N -1 1 391.384 1.306 20 0 GDADMM Cc1ccc(CCC(=O)NCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000822235164 606648743 /nfs/dbraw/zinc/64/87/43/606648743.db2.gz VVRUGBUDHXNLLM-UHFFFAOYSA-N -1 1 380.408 1.362 20 0 GDADMM Cc1ccc(CCC(=O)NCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000822235164 606648744 /nfs/dbraw/zinc/64/87/44/606648744.db2.gz VVRUGBUDHXNLLM-UHFFFAOYSA-N -1 1 380.408 1.362 20 0 GDADMM Cc1nc(COc2ccc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)cc2)no1 ZINC000822444186 606649753 /nfs/dbraw/zinc/64/97/53/606649753.db2.gz FYISTWPMNCDCIF-UHFFFAOYSA-N -1 1 393.363 1.889 20 0 GDADMM Cc1nc(COc2ccc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)cc2)no1 ZINC000822444186 606649754 /nfs/dbraw/zinc/64/97/54/606649754.db2.gz FYISTWPMNCDCIF-UHFFFAOYSA-N -1 1 393.363 1.889 20 0 GDADMM O=C(CCn1cnc2ccccc2c1=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822987348 606649822 /nfs/dbraw/zinc/64/98/22/606649822.db2.gz WAJYYHQZFULIPK-UHFFFAOYSA-N -1 1 377.364 1.105 20 0 GDADMM O=C(CCn1cnc2ccccc2c1=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822987348 606649823 /nfs/dbraw/zinc/64/98/23/606649823.db2.gz WAJYYHQZFULIPK-UHFFFAOYSA-N -1 1 377.364 1.105 20 0 GDADMM CC(C)(C)C(=O)N1CSC[C@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000819892065 606653194 /nfs/dbraw/zinc/65/31/94/606653194.db2.gz SGFUATLQISMBHA-LBPRGKRZSA-N -1 1 376.442 1.253 20 0 GDADMM CC(C)(C)C(=O)N1CSC[C@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000819892065 606653195 /nfs/dbraw/zinc/65/31/95/606653195.db2.gz SGFUATLQISMBHA-LBPRGKRZSA-N -1 1 376.442 1.253 20 0 GDADMM CCO[C@H]1C[C@@H](N(C)C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C1(C)C ZINC000821361156 606658258 /nfs/dbraw/zinc/65/82/58/606658258.db2.gz TVIFEDHGINNVCV-NEPJUHHUSA-N -1 1 392.485 1.965 20 0 GDADMM CSCc1cc(F)ccc1CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821970472 606697360 /nfs/dbraw/zinc/69/73/60/606697360.db2.gz OHYGETIZQNCNMI-UHFFFAOYSA-N -1 1 376.421 1.924 20 0 GDADMM CSCc1cc(F)ccc1CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821970472 606697361 /nfs/dbraw/zinc/69/73/61/606697361.db2.gz OHYGETIZQNCNMI-UHFFFAOYSA-N -1 1 376.421 1.924 20 0 GDADMM CC1(C)C[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c2ccccc2O1 ZINC000820589463 606737072 /nfs/dbraw/zinc/73/70/72/606737072.db2.gz GDXQJHVRNHXCNH-CQSZACIVSA-N -1 1 386.437 1.842 20 0 GDADMM CC1(C)C[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c2ccccc2O1 ZINC000820589463 606737074 /nfs/dbraw/zinc/73/70/74/606737074.db2.gz GDXQJHVRNHXCNH-CQSZACIVSA-N -1 1 386.437 1.842 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCc1ccccc1 ZINC000820788518 606767339 /nfs/dbraw/zinc/76/73/39/606767339.db2.gz IYVONKNWTMXMNQ-CQSZACIVSA-N -1 1 393.455 1.120 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCc1ccccc1 ZINC000820788518 606767341 /nfs/dbraw/zinc/76/73/41/606767341.db2.gz IYVONKNWTMXMNQ-CQSZACIVSA-N -1 1 393.455 1.120 20 0 GDADMM Cc1oc(NC(=O)[C@H](C)N2CCO[C@@H]([C@H]3CCCO3)C2)c(-c2nn[n-]n2)c1C ZINC000822542220 606771381 /nfs/dbraw/zinc/77/13/81/606771381.db2.gz VTRNSMHSPUAJJE-IACUBPJLSA-N -1 1 390.444 1.283 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NC(C1CC1)C1CC1 ZINC000820788802 606786989 /nfs/dbraw/zinc/78/69/89/606786989.db2.gz ORUAXMZVVRELDD-NSHDSACASA-N -1 1 383.460 1.065 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NC(C1CC1)C1CC1 ZINC000820788802 606786990 /nfs/dbraw/zinc/78/69/90/606786990.db2.gz ORUAXMZVVRELDD-NSHDSACASA-N -1 1 383.460 1.065 20 0 GDADMM COc1cc(OC)cc(N2CC[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)c1 ZINC000821724139 606804382 /nfs/dbraw/zinc/80/43/82/606804382.db2.gz QZWXILCZDBYABU-LBPRGKRZSA-N -1 1 382.428 1.612 20 0 GDADMM COc1cc(OC)cc(N2CC[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)c1 ZINC000821724139 606804384 /nfs/dbraw/zinc/80/43/84/606804384.db2.gz QZWXILCZDBYABU-LBPRGKRZSA-N -1 1 382.428 1.612 20 0 GDADMM C[C@@H](CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)c1cccnc1 ZINC000820219156 606819816 /nfs/dbraw/zinc/81/98/16/606819816.db2.gz CSWAPJVUULTVBE-KBPBESRZSA-N -1 1 393.455 1.283 20 0 GDADMM C[C@@H](CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)c1cccnc1 ZINC000820219156 606819818 /nfs/dbraw/zinc/81/98/18/606819818.db2.gz CSWAPJVUULTVBE-KBPBESRZSA-N -1 1 393.455 1.283 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc2ccccc2o1 ZINC000820788447 606820132 /nfs/dbraw/zinc/82/01/32/606820132.db2.gz HDURJOOLKRCRHJ-GFCCVEGCSA-N -1 1 390.407 1.754 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc2ccccc2o1 ZINC000820788447 606820133 /nfs/dbraw/zinc/82/01/33/606820133.db2.gz HDURJOOLKRCRHJ-GFCCVEGCSA-N -1 1 390.407 1.754 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1ccc(F)cc1 ZINC000820775955 606821228 /nfs/dbraw/zinc/82/12/28/606821228.db2.gz KSBGGCNLYWWQNM-CYBMUJFWSA-N -1 1 396.430 1.466 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1ccc(F)cc1 ZINC000820775955 606821229 /nfs/dbraw/zinc/82/12/29/606821229.db2.gz KSBGGCNLYWWQNM-CYBMUJFWSA-N -1 1 396.430 1.466 20 0 GDADMM Cc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cc1F ZINC000822226390 606822346 /nfs/dbraw/zinc/82/23/46/606822346.db2.gz QDXRQNBKNZBYNV-GFCCVEGCSA-N -1 1 382.403 1.455 20 0 GDADMM Cc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cc1F ZINC000822226390 606822349 /nfs/dbraw/zinc/82/23/49/606822349.db2.gz QDXRQNBKNZBYNV-GFCCVEGCSA-N -1 1 382.403 1.455 20 0 GDADMM Cc1cccc([C@H](C)C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1 ZINC000822288676 606822682 /nfs/dbraw/zinc/82/26/82/606822682.db2.gz GCSODBIKYMDNEG-CABCVRRESA-N -1 1 392.467 1.806 20 0 GDADMM Cc1cccc([C@H](C)C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1 ZINC000822288676 606822684 /nfs/dbraw/zinc/82/26/84/606822684.db2.gz GCSODBIKYMDNEG-CABCVRRESA-N -1 1 392.467 1.806 20 0 GDADMM C[C@@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)c1cccc(F)c1 ZINC000819854294 606824586 /nfs/dbraw/zinc/82/45/86/606824586.db2.gz CAXFUKJSEKZHIL-QWHCGFSZSA-N -1 1 396.430 1.637 20 0 GDADMM C[C@@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)c1cccc(F)c1 ZINC000819854294 606824588 /nfs/dbraw/zinc/82/45/88/606824588.db2.gz CAXFUKJSEKZHIL-QWHCGFSZSA-N -1 1 396.430 1.637 20 0 GDADMM CCC(CC)(CCO)CNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000820887549 606826065 /nfs/dbraw/zinc/82/60/65/606826065.db2.gz GCDMGHYCOYMLQD-UHFFFAOYSA-N -1 1 390.488 1.822 20 0 GDADMM Cc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c(Cl)n1 ZINC000822226085 606832033 /nfs/dbraw/zinc/83/20/33/606832033.db2.gz CAPSMEBDMKCEAX-NSHDSACASA-N -1 1 399.846 1.364 20 0 GDADMM Cc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c(Cl)n1 ZINC000822226085 606832035 /nfs/dbraw/zinc/83/20/35/606832035.db2.gz CAPSMEBDMKCEAX-NSHDSACASA-N -1 1 399.846 1.364 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCC(C1CC1)C1CC1 ZINC000820789240 606834777 /nfs/dbraw/zinc/83/47/77/606834777.db2.gz YOGAAIOHRBYYTF-LBPRGKRZSA-N -1 1 397.487 1.313 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCC(C1CC1)C1CC1 ZINC000820789240 606834779 /nfs/dbraw/zinc/83/47/79/606834779.db2.gz YOGAAIOHRBYYTF-LBPRGKRZSA-N -1 1 397.487 1.313 20 0 GDADMM Cc1c(F)cccc1NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000822035146 606836362 /nfs/dbraw/zinc/83/63/62/606836362.db2.gz QZUPDELILSTSCA-LLVKDONJSA-N -1 1 397.418 1.847 20 0 GDADMM Cc1c(F)cccc1NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000822035146 606836363 /nfs/dbraw/zinc/83/63/63/606836363.db2.gz QZUPDELILSTSCA-LLVKDONJSA-N -1 1 397.418 1.847 20 0 GDADMM CC(C)(C)OC(=O)[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000819921787 606844546 /nfs/dbraw/zinc/84/45/46/606844546.db2.gz ACUAEWVRNQIMFB-JTQLQIEISA-N -1 1 397.432 1.358 20 0 GDADMM CC(C)N1C(=O)CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1(C)C ZINC000820127639 606844766 /nfs/dbraw/zinc/84/47/66/606844766.db2.gz KYVZOQZLFJBHIT-UHFFFAOYSA-N -1 1 396.448 1.026 20 0 GDADMM CCO[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C12CCC2 ZINC000821357153 606874676 /nfs/dbraw/zinc/87/46/76/606874676.db2.gz AQSBRVDYNYYXDP-GJZGRUSLSA-N -1 1 395.460 1.974 20 0 GDADMM O[C@H](C[C@H]1COCCN1c1snc(Cl)c1-c1nnn[n-]1)c1ccco1 ZINC000823673173 606879024 /nfs/dbraw/zinc/87/90/24/606879024.db2.gz JXPHBNDVBXBFHO-DTWKUNHWSA-N -1 1 382.833 1.899 20 0 GDADMM O[C@H](C[C@H]1COCCN1c1snc(Cl)c1-c1nn[n-]n1)c1ccco1 ZINC000823673173 606879025 /nfs/dbraw/zinc/87/90/25/606879025.db2.gz JXPHBNDVBXBFHO-DTWKUNHWSA-N -1 1 382.833 1.899 20 0 GDADMM CCc1noc(C)c1CN1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000821553845 606879294 /nfs/dbraw/zinc/87/92/94/606879294.db2.gz KUPFNDMDGXIDGM-UHFFFAOYSA-N -1 1 384.444 1.913 20 0 GDADMM Cc1nn(C)cc1[C@@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000822496108 606891090 /nfs/dbraw/zinc/89/10/90/606891090.db2.gz ATCFHCGTZZCCJU-MRVPVSSYSA-N -1 1 383.384 1.226 20 0 GDADMM CCc1nnc(Sc2nnnn2C2CCOCC2)c(-c2nn[n-]n2)c1CC ZINC000821548543 606911669 /nfs/dbraw/zinc/91/16/69/606911669.db2.gz NFRKPSFTXPQNHM-UHFFFAOYSA-N -1 1 388.461 1.271 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1ccnn1CC1CC1 ZINC000822009913 606938764 /nfs/dbraw/zinc/93/87/64/606938764.db2.gz HKHNXMZWSDQDBV-UHFFFAOYSA-N -1 1 382.428 1.762 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000823607750 607007360 /nfs/dbraw/zinc/00/73/60/607007360.db2.gz WUGMVQNZEBHCFI-ZBEGNZNMSA-N -1 1 381.433 1.322 20 0 GDADMM C[C@H](CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1ccncc1 ZINC000820219207 607019526 /nfs/dbraw/zinc/01/95/26/607019526.db2.gz DHOVSAFSHHJPAN-ZIAGYGMSSA-N -1 1 393.455 1.283 20 0 GDADMM C[C@H](CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1ccncc1 ZINC000820219207 607019527 /nfs/dbraw/zinc/01/95/27/607019527.db2.gz DHOVSAFSHHJPAN-ZIAGYGMSSA-N -1 1 393.455 1.283 20 0 GDADMM O=C([O-])c1cccc(F)c1NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823391676 607022576 /nfs/dbraw/zinc/02/25/76/607022576.db2.gz BMGRYQWGEYCDMK-UHFFFAOYSA-N -1 1 399.310 1.783 20 0 GDADMM Cc1cc(NC(=O)[C@@H](C)SCC(=O)Nc2ncc(-c3nnn[n-]3)s2)no1 ZINC000822207162 607023535 /nfs/dbraw/zinc/02/35/35/607023535.db2.gz MVDXCAOSCZKHQT-SSDOTTSWSA-N -1 1 394.442 1.319 20 0 GDADMM Cc1cc(NC(=O)[C@@H](C)SCC(=O)Nc2ncc(-c3nn[n-]n3)s2)no1 ZINC000822207162 607023537 /nfs/dbraw/zinc/02/35/37/607023537.db2.gz MVDXCAOSCZKHQT-SSDOTTSWSA-N -1 1 394.442 1.319 20 0 GDADMM O=C(Cc1csc(N2CCCC2=O)n1)Nc1ncc(-c2nnn[n-]2)s1 ZINC000823118890 607024519 /nfs/dbraw/zinc/02/45/19/607024519.db2.gz UFWKPCUYVMTOLD-UHFFFAOYSA-N -1 1 376.427 1.088 20 0 GDADMM O=C(Cc1csc(N2CCCC2=O)n1)Nc1ncc(-c2nn[n-]n2)s1 ZINC000823118890 607024520 /nfs/dbraw/zinc/02/45/20/607024520.db2.gz UFWKPCUYVMTOLD-UHFFFAOYSA-N -1 1 376.427 1.088 20 0 GDADMM CC(C)CO[C@@H]1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000820096925 607050280 /nfs/dbraw/zinc/05/02/80/607050280.db2.gz IKELUQUJRSXYCW-LLVKDONJSA-N -1 1 385.877 1.956 20 0 GDADMM CC(C)CO[C@@H]1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000820096925 607050281 /nfs/dbraw/zinc/05/02/81/607050281.db2.gz IKELUQUJRSXYCW-LLVKDONJSA-N -1 1 385.877 1.956 20 0 GDADMM COc1cccc([C@H]2CN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CCO2)c1 ZINC000821863968 607070337 /nfs/dbraw/zinc/07/03/37/607070337.db2.gz SEJSMEWEIIBQNA-CQSZACIVSA-N -1 1 384.400 1.214 20 0 GDADMM COc1cccc([C@H]2CN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CCO2)c1 ZINC000821863968 607070338 /nfs/dbraw/zinc/07/03/38/607070338.db2.gz SEJSMEWEIIBQNA-CQSZACIVSA-N -1 1 384.400 1.214 20 0 GDADMM C[C@H]1OCCN(CC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)[C@@H]1C ZINC000820819102 607103373 /nfs/dbraw/zinc/10/33/73/607103373.db2.gz FAGODEWOHYACLJ-CHWSQXEVSA-N -1 1 382.428 1.100 20 0 GDADMM C[C@H]1OCCN(CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)[C@@H]1C ZINC000820819102 607103374 /nfs/dbraw/zinc/10/33/74/607103374.db2.gz FAGODEWOHYACLJ-CHWSQXEVSA-N -1 1 382.428 1.100 20 0 GDADMM Cc1ccc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)cc1NS(C)(=O)=O ZINC000822227834 607106606 /nfs/dbraw/zinc/10/66/06/607106606.db2.gz XJIYHNXTYPNPDN-UHFFFAOYSA-N -1 1 379.427 1.255 20 0 GDADMM Cc1ccc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)cc1NS(C)(=O)=O ZINC000822227834 607106607 /nfs/dbraw/zinc/10/66/07/607106607.db2.gz XJIYHNXTYPNPDN-UHFFFAOYSA-N -1 1 379.427 1.255 20 0 GDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cccn(Cc2ccccc2)c1=O ZINC000823383154 607107633 /nfs/dbraw/zinc/10/76/33/607107633.db2.gz MQKZONASIDRFTB-UHFFFAOYSA-N -1 1 379.405 1.786 20 0 GDADMM Cc1oc(NC(=O)CN2CCO[C@@H](c3cccc(O)c3)C2)c(-c2nn[n-]n2)c1C ZINC000822547622 607108953 /nfs/dbraw/zinc/10/89/53/607108953.db2.gz ADDDLAULIZAMOO-OAHLLOKOSA-N -1 1 398.423 1.794 20 0 GDADMM CC(C)C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)OC(C)(C)C ZINC000820057332 607127988 /nfs/dbraw/zinc/12/79/88/607127988.db2.gz YLYYXBUHHWTSGB-CYBMUJFWSA-N -1 1 396.473 1.296 20 0 GDADMM CC(C)C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)OC(C)(C)C ZINC000820057332 607127989 /nfs/dbraw/zinc/12/79/89/607127989.db2.gz YLYYXBUHHWTSGB-CYBMUJFWSA-N -1 1 396.473 1.296 20 0 GDADMM Cc1nc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)sc1Cc1ccc(F)cc1 ZINC000822449703 607208853 /nfs/dbraw/zinc/20/88/53/607208853.db2.gz KVCHESFLCHVCQR-UHFFFAOYSA-N -1 1 399.415 1.592 20 0 GDADMM Cc1ccccc1Oc1ccccc1CNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822366092 607215423 /nfs/dbraw/zinc/21/54/23/607215423.db2.gz BALIHPHMYVWJFJ-UHFFFAOYSA-N -1 1 390.407 1.875 20 0 GDADMM CCN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000821154591 607220259 /nfs/dbraw/zinc/22/02/59/607220259.db2.gz PQTHMIXKXOKAKX-OAHLLOKOSA-N -1 1 386.435 1.713 20 0 GDADMM CCCCCCOC(=O)c1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000821055549 607222388 /nfs/dbraw/zinc/22/23/88/607222388.db2.gz CDLWYIFFHZGTSY-UHFFFAOYSA-N -1 1 398.427 1.834 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1nc(COc2ccccc2)cs1 ZINC000823136420 607235975 /nfs/dbraw/zinc/23/59/75/607235975.db2.gz ZNUBUKPTEXNWQN-UHFFFAOYSA-N -1 1 383.397 1.132 20 0 GDADMM CC(=O)O[C@@H]1CCCN(C(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C1 ZINC000824005372 607791921 /nfs/dbraw/zinc/79/19/21/607791921.db2.gz PMFWWGWMAOGLLN-CYBMUJFWSA-N -1 1 388.428 1.071 20 0 GDADMM CC(C)[C@H](O)C(C)(C)CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824201042 607818259 /nfs/dbraw/zinc/81/82/59/607818259.db2.gz XCCFWMUMWJRGLY-ZDUSSCGKSA-N -1 1 387.893 1.842 20 0 GDADMM CC(C)[C@H](O)C(C)(C)CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824201042 607818260 /nfs/dbraw/zinc/81/82/60/607818260.db2.gz XCCFWMUMWJRGLY-ZDUSSCGKSA-N -1 1 387.893 1.842 20 0 GDADMM Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1-c1nn[nH]n1 ZINC000826303705 607847079 /nfs/dbraw/zinc/84/70/79/607847079.db2.gz AWUJINOFPRJWOJ-UHFFFAOYSA-N -1 1 377.357 1.813 20 0 GDADMM Cc1oc(NC(=O)COC(=O)c2cn(C)nc2C(F)F)c(-c2nn[n-]n2)c1C ZINC000826342687 607857459 /nfs/dbraw/zinc/85/74/59/607857459.db2.gz WBMXJROPIMDYSI-UHFFFAOYSA-N -1 1 395.326 1.543 20 0 GDADMM C[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C)c2cccc(-c3nn[nH]n3)c2)co1 ZINC000826090374 607923824 /nfs/dbraw/zinc/92/38/24/607923824.db2.gz GPTMWSJTIDBXSP-SECBINFHSA-N -1 1 377.382 1.286 20 0 GDADMM C[C@H](NC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1)c1cn[nH]c1 ZINC000824489646 607940794 /nfs/dbraw/zinc/94/07/94/607940794.db2.gz MNSOFZZFHMZCQE-JTQLQIEISA-N -1 1 398.431 1.048 20 0 GDADMM C[C@H](CC(=O)c1ccccc1)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824392883 607970832 /nfs/dbraw/zinc/97/08/32/607970832.db2.gz PNSODNWPSJDKSO-LLVKDONJSA-N -1 1 389.412 1.946 20 0 GDADMM C[C@H](CC(=O)c1ccccc1)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824392883 607970833 /nfs/dbraw/zinc/97/08/33/607970833.db2.gz PNSODNWPSJDKSO-LLVKDONJSA-N -1 1 389.412 1.946 20 0 GDADMM C[C@H](CO)CCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824435745 607972352 /nfs/dbraw/zinc/97/23/52/607972352.db2.gz PCBPMXBGFGLTNZ-VIFPVBQESA-N -1 1 393.391 1.572 20 0 GDADMM Cc1cc(S(C)(=O)=O)cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1C ZINC000826272620 607981240 /nfs/dbraw/zinc/98/12/40/607981240.db2.gz SNHKZWCIPGLFEY-UHFFFAOYSA-N -1 1 387.421 1.639 20 0 GDADMM Cc1cc(S(C)(=O)=O)cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1C ZINC000826272620 607981241 /nfs/dbraw/zinc/98/12/41/607981241.db2.gz SNHKZWCIPGLFEY-UHFFFAOYSA-N -1 1 387.421 1.639 20 0 GDADMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)cc1S(C)(=O)=O ZINC000826291721 607982807 /nfs/dbraw/zinc/98/28/07/607982807.db2.gz SKPDTDOHSBQNAM-UHFFFAOYSA-N -1 1 393.450 1.379 20 0 GDADMM CN(C)S(=O)(=O)c1ccsc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825875349 607997503 /nfs/dbraw/zinc/99/75/03/607997503.db2.gz MBPGRNIZQPZNDR-UHFFFAOYSA-N -1 1 394.438 1.136 20 0 GDADMM CC(C)(C)C(=O)Nc1nccnc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000824071493 607997854 /nfs/dbraw/zinc/99/78/54/607997854.db2.gz JBZQNXZDSPDGKR-UHFFFAOYSA-N -1 1 382.384 1.599 20 0 GDADMM CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825076163 607997876 /nfs/dbraw/zinc/99/78/76/607997876.db2.gz UEVRAWSGLZNZOZ-ABAIWWIYSA-N -1 1 387.444 1.731 20 0 GDADMM O=C(Cn1ccnc1-c1nnn[n-]1)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000826424750 608014641 /nfs/dbraw/zinc/01/46/41/608014641.db2.gz BAEHTSFFFYFCBH-GFCCVEGCSA-N -1 1 378.352 1.627 20 0 GDADMM O=C(Cn1ccnc1-c1nn[n-]n1)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000826424750 608014642 /nfs/dbraw/zinc/01/46/42/608014642.db2.gz BAEHTSFFFYFCBH-GFCCVEGCSA-N -1 1 378.352 1.627 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1scnc1C1CC1 ZINC000824998919 608029010 /nfs/dbraw/zinc/02/90/10/608029010.db2.gz ACFJXLIFJQQOGA-SNVBAGLBSA-N -1 1 397.468 1.342 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1scnc1C1CC1 ZINC000824998919 608029011 /nfs/dbraw/zinc/02/90/11/608029011.db2.gz ACFJXLIFJQQOGA-SNVBAGLBSA-N -1 1 397.468 1.342 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cc(N3CCCC3=O)ccc2Cl)n1 ZINC000826357568 608029152 /nfs/dbraw/zinc/02/91/52/608029152.db2.gz KANJAWWGLBIUPZ-UHFFFAOYSA-N -1 1 386.803 1.633 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cc(N3CCCC3=O)ccc2Cl)n1 ZINC000826357568 608029153 /nfs/dbraw/zinc/02/91/53/608029153.db2.gz KANJAWWGLBIUPZ-UHFFFAOYSA-N -1 1 386.803 1.633 20 0 GDADMM Cc1oc(NC(=O)COC(=O)[C@@H]2CCC(=O)[C@H](C)C2)c(-c2nn[n-]n2)c1C ZINC000826342388 608059253 /nfs/dbraw/zinc/05/92/53/608059253.db2.gz IJPXPTADPCZDTN-LDYMZIIASA-N -1 1 375.385 1.564 20 0 GDADMM COC(=O)[C@@H](CC(F)F)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000826103166 608090199 /nfs/dbraw/zinc/09/01/99/608090199.db2.gz DKPMBQMBPQYATD-SECBINFHSA-N -1 1 394.338 1.485 20 0 GDADMM COC(=O)[C@@H](CC(F)F)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000826103166 608090200 /nfs/dbraw/zinc/09/02/00/608090200.db2.gz DKPMBQMBPQYATD-SECBINFHSA-N -1 1 394.338 1.485 20 0 GDADMM CC(C)(C)[C@H]1C[C@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCO1 ZINC000824079864 608111369 /nfs/dbraw/zinc/11/13/69/608111369.db2.gz RMAOSSSRBVDTOD-BXUZGUMPSA-N -1 1 383.449 1.878 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000824103507 608135320 /nfs/dbraw/zinc/13/53/20/608135320.db2.gz CYZWFTSCXVTASZ-JTQLQIEISA-N -1 1 378.458 1.915 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000824103507 608135321 /nfs/dbraw/zinc/13/53/21/608135321.db2.gz CYZWFTSCXVTASZ-JTQLQIEISA-N -1 1 378.458 1.915 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCC(=O)Cc1ccccc1 ZINC000826232802 608144739 /nfs/dbraw/zinc/14/47/39/608144739.db2.gz JBWACIOOABDWGT-UHFFFAOYSA-N -1 1 395.419 1.872 20 0 GDADMM O=C(N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826428494 608168349 /nfs/dbraw/zinc/16/83/49/608168349.db2.gz CXGMHZNJTDFWQD-SNVBAGLBSA-N -1 1 385.334 1.075 20 0 GDADMM O=C(N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826428494 608168351 /nfs/dbraw/zinc/16/83/51/608168351.db2.gz CXGMHZNJTDFWQD-SNVBAGLBSA-N -1 1 385.334 1.075 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C(C)(C)c1ccccc1F ZINC000825923540 608211540 /nfs/dbraw/zinc/21/15/40/608211540.db2.gz LJCJACBCNSUESM-UHFFFAOYSA-N -1 1 386.435 1.680 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C(C)(C)c1ccccc1F ZINC000825923540 608211542 /nfs/dbraw/zinc/21/15/42/608211542.db2.gz LJCJACBCNSUESM-UHFFFAOYSA-N -1 1 386.435 1.680 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@@H]1CSc2ccccc21 ZINC000825923659 608212698 /nfs/dbraw/zinc/21/26/98/608212698.db2.gz QICYPQLBRKHYMY-LLVKDONJSA-N -1 1 384.469 1.453 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@@H]1CSc2ccccc21 ZINC000825923659 608212699 /nfs/dbraw/zinc/21/26/99/608212699.db2.gz QICYPQLBRKHYMY-LLVKDONJSA-N -1 1 384.469 1.453 20 0 GDADMM CC(C)(C)OC(=O)CN1CCC[C@@H]1COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824100684 608247920 /nfs/dbraw/zinc/24/79/20/608247920.db2.gz VQSWGNPRZNHIHX-CYBMUJFWSA-N -1 1 388.428 1.225 20 0 GDADMM CC(C)(C)OC(=O)CN1CCC[C@@H]1COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824100684 608247921 /nfs/dbraw/zinc/24/79/21/608247921.db2.gz VQSWGNPRZNHIHX-CYBMUJFWSA-N -1 1 388.428 1.225 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000826494809 608305891 /nfs/dbraw/zinc/30/58/91/608305891.db2.gz QGALWVUEKHPOFO-OLZOCXBDSA-N -1 1 378.458 1.089 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000826494809 608305893 /nfs/dbraw/zinc/30/58/93/608305893.db2.gz QGALWVUEKHPOFO-OLZOCXBDSA-N -1 1 378.458 1.089 20 0 GDADMM O=C(O[C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O)c1ccc([O-])cc1F ZINC000826462181 608321197 /nfs/dbraw/zinc/32/11/97/608321197.db2.gz QIBCVSPADBBSEZ-LBPRGKRZSA-N -1 1 389.368 1.735 20 0 GDADMM COC(=O)[C@H]([N-]S(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F)C(C)(C)C ZINC000826111605 608333513 /nfs/dbraw/zinc/33/35/13/608333513.db2.gz ICCPWLSKIIKSSV-LBPRGKRZSA-N -1 1 385.421 1.013 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC[C@H]2COC3(CCCC3)O2)cc1-c1nn[n-]n1 ZINC000826229780 608359178 /nfs/dbraw/zinc/35/91/78/608359178.db2.gz RDPPRWDDNJELNB-VIFPVBQESA-N -1 1 392.441 1.105 20 0 GDADMM Cc1ccccc1CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826306837 608409015 /nfs/dbraw/zinc/40/90/15/608409015.db2.gz NBBQHKPZCCIGMH-UHFFFAOYSA-N -1 1 383.460 1.297 20 0 GDADMM Cc1ccccc1CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826306837 608409017 /nfs/dbraw/zinc/40/90/17/608409017.db2.gz NBBQHKPZCCIGMH-UHFFFAOYSA-N -1 1 383.460 1.297 20 0 GDADMM O=C(NC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)Nc1cccc(F)c1 ZINC000826435503 608412440 /nfs/dbraw/zinc/41/24/40/608412440.db2.gz PVXYEJZOCWOWOQ-LBPRGKRZSA-N -1 1 397.418 1.834 20 0 GDADMM O=C(NC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)Nc1cccc(F)c1 ZINC000826435503 608412441 /nfs/dbraw/zinc/41/24/41/608412441.db2.gz PVXYEJZOCWOWOQ-LBPRGKRZSA-N -1 1 397.418 1.834 20 0 GDADMM Cc1ccccc1O[C@@H](C)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826307302 608421504 /nfs/dbraw/zinc/42/15/04/608421504.db2.gz BWHQVJDYCPTWEI-AWEZNQCLSA-N -1 1 394.439 1.081 20 0 GDADMM Cc1ccccc1O[C@@H](C)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826307302 608421505 /nfs/dbraw/zinc/42/15/05/608421505.db2.gz BWHQVJDYCPTWEI-AWEZNQCLSA-N -1 1 394.439 1.081 20 0 GDADMM C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000824737277 608437804 /nfs/dbraw/zinc/43/78/04/608437804.db2.gz DOIGZIZPSREUCH-SECBINFHSA-N -1 1 387.318 1.246 20 0 GDADMM Cc1oc(NC(=O)COC(=O)C[C@@H]2CSCCS2)c(-c2nn[n-]n2)c1C ZINC000826342345 608460463 /nfs/dbraw/zinc/46/04/63/608460463.db2.gz HBFPPDXTJWUHLK-SNVBAGLBSA-N -1 1 397.482 1.797 20 0 GDADMM CN1C(=O)C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)[C@@H]1c1ccc(Cl)cc1 ZINC000826010269 608552571 /nfs/dbraw/zinc/55/25/71/608552571.db2.gz GNTJAXJYXYXBSI-ZBFHGGJFSA-N -1 1 397.826 1.617 20 0 GDADMM CN1C(=O)C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H]1c1ccc(Cl)cc1 ZINC000826010269 608552573 /nfs/dbraw/zinc/55/25/73/608552573.db2.gz GNTJAXJYXYXBSI-ZBFHGGJFSA-N -1 1 397.826 1.617 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1c[nH]nc1-c1ccccc1 ZINC000825930315 608555092 /nfs/dbraw/zinc/55/50/92/608555092.db2.gz SCAFURGPLXCDBW-UHFFFAOYSA-N -1 1 392.427 1.267 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1c[nH]nc1-c1ccccc1 ZINC000825930315 608555093 /nfs/dbraw/zinc/55/50/93/608555093.db2.gz SCAFURGPLXCDBW-UHFFFAOYSA-N -1 1 392.427 1.267 20 0 GDADMM CCC(=O)c1ccc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000825034859 608556422 /nfs/dbraw/zinc/55/64/22/608556422.db2.gz RZIGGDHHJRZTBB-UHFFFAOYSA-N -1 1 382.428 1.470 20 0 GDADMM CCC(=O)c1ccc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000825034859 608556423 /nfs/dbraw/zinc/55/64/23/608556423.db2.gz RZIGGDHHJRZTBB-UHFFFAOYSA-N -1 1 382.428 1.470 20 0 GDADMM COc1ccc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c(Cl)c1 ZINC000826187134 608556758 /nfs/dbraw/zinc/55/67/58/608556758.db2.gz BDIBRVVLFFZDQM-UHFFFAOYSA-N -1 1 390.835 1.539 20 0 GDADMM COc1ccc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c(Cl)c1 ZINC000826187134 608556759 /nfs/dbraw/zinc/55/67/59/608556759.db2.gz BDIBRVVLFFZDQM-UHFFFAOYSA-N -1 1 390.835 1.539 20 0 GDADMM Cc1cc(C)c(CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c(C)c1 ZINC000826263305 608557323 /nfs/dbraw/zinc/55/73/23/608557323.db2.gz UZOPAUXXMRGUIE-UHFFFAOYSA-N -1 1 382.472 1.731 20 0 GDADMM Cc1cc(C)c(CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c(C)c1 ZINC000826263305 608557325 /nfs/dbraw/zinc/55/73/25/608557325.db2.gz UZOPAUXXMRGUIE-UHFFFAOYSA-N -1 1 382.472 1.731 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)/C=C/SCc1ccco1 ZINC000825923085 608558170 /nfs/dbraw/zinc/55/81/70/608558170.db2.gz BNGCMPHSMSATRV-RMKNXTFCSA-N -1 1 388.457 1.603 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)/C=C/SCc1ccco1 ZINC000825923085 608558171 /nfs/dbraw/zinc/55/81/71/608558171.db2.gz BNGCMPHSMSATRV-RMKNXTFCSA-N -1 1 388.457 1.603 20 0 GDADMM CC(C)[C@@H](O)C1(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000824199716 608589666 /nfs/dbraw/zinc/58/96/66/608589666.db2.gz MATBRNWWBXHPMR-CYBMUJFWSA-N -1 1 385.877 1.596 20 0 GDADMM CC(C)[C@@H](O)C1(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000824199716 608589668 /nfs/dbraw/zinc/58/96/68/608589668.db2.gz MATBRNWWBXHPMR-CYBMUJFWSA-N -1 1 385.877 1.596 20 0 GDADMM O=C(CN1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1)N1CCc2ccccc21 ZINC000826411040 608594241 /nfs/dbraw/zinc/59/42/41/608594241.db2.gz IZVNLCJSARXXHH-UHFFFAOYSA-N -1 1 393.451 1.167 20 0 GDADMM O=C(CN1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1)N1CCc2ccccc21 ZINC000826411040 608594243 /nfs/dbraw/zinc/59/42/43/608594243.db2.gz IZVNLCJSARXXHH-UHFFFAOYSA-N -1 1 393.451 1.167 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)N2C[C@H](CO)OC[C@H]2C)c1-c1nn[n-]n1 ZINC000826231471 608620851 /nfs/dbraw/zinc/62/08/51/608620851.db2.gz MVKODCXXDBHFKG-MWLCHTKSSA-N -1 1 390.469 1.083 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)N2C[C@@H](CO)OC[C@@H]2C)c1-c1nn[n-]n1 ZINC000826231472 608620990 /nfs/dbraw/zinc/62/09/90/608620990.db2.gz MVKODCXXDBHFKG-ONGXEEELSA-N -1 1 390.469 1.083 20 0 GDADMM C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CCO1 ZINC000824892092 608758544 /nfs/dbraw/zinc/75/85/44/608758544.db2.gz DFPKYKJDWVAIDA-WPRPVWTQSA-N -1 1 391.375 1.731 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@H]1CCO[C@H](C)C1 ZINC000826328124 608829275 /nfs/dbraw/zinc/82/92/75/608829275.db2.gz GWQGCMJLYDFOSP-MFKMUULPSA-N -1 1 384.444 1.143 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@H]1CCO[C@H](C)C1 ZINC000826328124 608829278 /nfs/dbraw/zinc/82/92/78/608829278.db2.gz GWQGCMJLYDFOSP-MFKMUULPSA-N -1 1 384.444 1.143 20 0 GDADMM C[C@H]1CN(c2ccc(NC(=O)Cn3ccnc3-c3nnn[n-]3)cc2)C[C@H](C)O1 ZINC000824994210 608889778 /nfs/dbraw/zinc/88/97/78/608889778.db2.gz UIZMEGZWNVZOHL-STQMWFEESA-N -1 1 382.428 1.316 20 0 GDADMM C[C@H]1CN(c2ccc(NC(=O)Cn3ccnc3-c3nn[n-]n3)cc2)C[C@H](C)O1 ZINC000824994210 608889779 /nfs/dbraw/zinc/88/97/79/608889779.db2.gz UIZMEGZWNVZOHL-STQMWFEESA-N -1 1 382.428 1.316 20 0 GDADMM CCc1ccc(NC(=O)c2nnc(Cn3ccnc3-c3nnn[n-]3)s2)cc1 ZINC000825713000 608894930 /nfs/dbraw/zinc/89/49/30/608894930.db2.gz ZASCEGLTBFGVRZ-UHFFFAOYSA-N -1 1 381.425 1.778 20 0 GDADMM CCc1ccc(NC(=O)c2nnc(Cn3ccnc3-c3nn[n-]n3)s2)cc1 ZINC000825713000 608894931 /nfs/dbraw/zinc/89/49/31/608894931.db2.gz ZASCEGLTBFGVRZ-UHFFFAOYSA-N -1 1 381.425 1.778 20 0 GDADMM C[C@H](NC(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1)C(N)=O ZINC000736123829 609138497 /nfs/dbraw/zinc/13/84/97/609138497.db2.gz QWGXIUPPBALZKH-VIFPVBQESA-N -1 1 386.799 1.916 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000825929216 609156676 /nfs/dbraw/zinc/15/66/76/609156676.db2.gz CWNZLDCWNLUCPM-UHFFFAOYSA-N -1 1 380.416 1.750 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000825929216 609156677 /nfs/dbraw/zinc/15/66/77/609156677.db2.gz CWNZLDCWNLUCPM-UHFFFAOYSA-N -1 1 380.416 1.750 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1ccnc(Cl)c1 ZINC000825930184 609161483 /nfs/dbraw/zinc/16/14/83/609161483.db2.gz RHQHMZVEEFXPFL-UHFFFAOYSA-N -1 1 376.812 1.317 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1ccnc(Cl)c1 ZINC000825930184 609161486 /nfs/dbraw/zinc/16/14/86/609161486.db2.gz RHQHMZVEEFXPFL-UHFFFAOYSA-N -1 1 376.812 1.317 20 0 GDADMM CC(=O)N[C@H](C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C(C)C ZINC000823989282 609286491 /nfs/dbraw/zinc/28/64/91/609286491.db2.gz SACFIHYUQNSISW-HNNXBMFYSA-N -1 1 386.391 1.291 20 0 GDADMM Cc1ccc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)c(=O)[nH]1 ZINC000826282151 609289698 /nfs/dbraw/zinc/28/96/98/609289698.db2.gz ADHCSLJBWZGQDY-UHFFFAOYSA-N -1 1 380.343 1.853 20 0 GDADMM O=C(CN1CCCCCC1=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826410784 609289728 /nfs/dbraw/zinc/28/97/28/609289728.db2.gz YLFBICKDEUNSAV-UHFFFAOYSA-N -1 1 398.402 1.533 20 0 GDADMM CCc1nnsc1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825772082 609292589 /nfs/dbraw/zinc/29/25/89/609292589.db2.gz YYOLFHOKJHTONJ-UHFFFAOYSA-N -1 1 385.388 1.858 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCCC[C@H]1[C@@H](C)O ZINC000826328594 609295305 /nfs/dbraw/zinc/29/53/05/609295305.db2.gz WSBLVIMKHPDIGY-CJNGLKHVSA-N -1 1 398.471 1.221 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCCC[C@H]1[C@@H](C)O ZINC000826328594 609295307 /nfs/dbraw/zinc/29/53/07/609295307.db2.gz WSBLVIMKHPDIGY-CJNGLKHVSA-N -1 1 398.471 1.221 20 0 GDADMM COc1ccc([C@@H](C)NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000826188250 609300766 /nfs/dbraw/zinc/30/07/66/609300766.db2.gz RGGLHKURAROAOL-LLVKDONJSA-N -1 1 399.459 1.516 20 0 GDADMM COc1ccc([C@@H](C)NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000826188250 609300768 /nfs/dbraw/zinc/30/07/68/609300768.db2.gz RGGLHKURAROAOL-LLVKDONJSA-N -1 1 399.459 1.516 20 0 GDADMM CC(C)[C@@H]1CCC[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1 ZINC000824216143 609301248 /nfs/dbraw/zinc/30/12/48/609301248.db2.gz OHGPPSGVNSLXTP-OLZOCXBDSA-N -1 1 389.508 1.961 20 0 GDADMM CC(C)[C@@H]1CCC[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C1 ZINC000824216143 609301250 /nfs/dbraw/zinc/30/12/50/609301250.db2.gz OHGPPSGVNSLXTP-OLZOCXBDSA-N -1 1 389.508 1.961 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000825929098 609304067 /nfs/dbraw/zinc/30/40/67/609304067.db2.gz AKWXTKYZGYDSQZ-TZMCWYRMSA-N -1 1 387.492 1.715 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000825929098 609304068 /nfs/dbraw/zinc/30/40/68/609304068.db2.gz AKWXTKYZGYDSQZ-TZMCWYRMSA-N -1 1 387.492 1.715 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@H]1CC(C)(C)OC1(C)C ZINC000825930283 609309831 /nfs/dbraw/zinc/30/98/31/609309831.db2.gz ROQQZSQKQGFKJY-NSHDSACASA-N -1 1 391.480 1.092 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@H]1CC(C)(C)OC1(C)C ZINC000825930283 609309833 /nfs/dbraw/zinc/30/98/33/609309833.db2.gz ROQQZSQKQGFKJY-NSHDSACASA-N -1 1 391.480 1.092 20 0 GDADMM Cc1cccc(C)c1CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826297252 609310594 /nfs/dbraw/zinc/31/05/94/609310594.db2.gz ZTUIHWBQLPVTIX-UHFFFAOYSA-N -1 1 397.487 1.606 20 0 GDADMM Cc1cccc(C)c1CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826297252 609310596 /nfs/dbraw/zinc/31/05/96/609310596.db2.gz ZTUIHWBQLPVTIX-UHFFFAOYSA-N -1 1 397.487 1.606 20 0 GDADMM CC(=O)c1c[nH]c(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)c1 ZINC000824010665 609311270 /nfs/dbraw/zinc/31/12/70/609311270.db2.gz PGKLIKUOQISCOI-UHFFFAOYSA-N -1 1 380.343 1.975 20 0 GDADMM NC(=O)c1csc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)c1 ZINC000826393867 609312509 /nfs/dbraw/zinc/31/25/09/609312509.db2.gz MTGJZTJFZYOBSQ-UHFFFAOYSA-N -1 1 398.383 1.604 20 0 GDADMM O=C(COc1ccc(O)cc1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826418082 609313552 /nfs/dbraw/zinc/31/35/52/609313552.db2.gz QJYOYBWLOHYPIR-UHFFFAOYSA-N -1 1 395.354 1.915 20 0 GDADMM CCCCN(C)C(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825282126 609353756 /nfs/dbraw/zinc/35/37/56/609353756.db2.gz NTWLVKJVMCIUSI-UHFFFAOYSA-N -1 1 386.391 1.389 20 0 GDADMM CN(C[C@@H]1CCOC1)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825915035 609356513 /nfs/dbraw/zinc/35/65/13/609356513.db2.gz RWNBXFWWPFDJEI-NSHDSACASA-N -1 1 386.391 1.692 20 0 GDADMM Cc1cc(CNC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)ncn1 ZINC000826267242 609358964 /nfs/dbraw/zinc/35/89/64/609358964.db2.gz XLVNNPBVSKFQIO-UHFFFAOYSA-N -1 1 394.374 1.612 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N(CCCO)C1CC1 ZINC000826458318 609359927 /nfs/dbraw/zinc/35/99/27/609359927.db2.gz LTWHCLHHBREDOS-UHFFFAOYSA-N -1 1 386.391 1.570 20 0 GDADMM O=C(NCCc1cccnc1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826439734 609363898 /nfs/dbraw/zinc/36/38/98/609363898.db2.gz HUINBRDIGMWNJL-UHFFFAOYSA-N -1 1 393.386 1.951 20 0 GDADMM CC[C@](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)(C(N)=O)C(C)C ZINC000825148107 609401427 /nfs/dbraw/zinc/40/14/27/609401427.db2.gz OOHZQQHFVSESQM-CQSZACIVSA-N -1 1 386.865 1.089 20 0 GDADMM CC[C@](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)(C(N)=O)C(C)C ZINC000825148107 609401429 /nfs/dbraw/zinc/40/14/29/609401429.db2.gz OOHZQQHFVSESQM-CQSZACIVSA-N -1 1 386.865 1.089 20 0 GDADMM CC[C@@](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)(C(N)=O)C(C)C ZINC000825148106 609401647 /nfs/dbraw/zinc/40/16/47/609401647.db2.gz OOHZQQHFVSESQM-AWEZNQCLSA-N -1 1 386.865 1.089 20 0 GDADMM CC[C@@](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)(C(N)=O)C(C)C ZINC000825148106 609401649 /nfs/dbraw/zinc/40/16/49/609401649.db2.gz OOHZQQHFVSESQM-AWEZNQCLSA-N -1 1 386.865 1.089 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H](CCc1ccccc1)C(F)(F)F ZINC000826425286 609403519 /nfs/dbraw/zinc/40/35/19/609403519.db2.gz WYNCSSMPQQRFQG-NSHDSACASA-N -1 1 380.334 1.138 20 0 GDADMM Cc1onc(CC(=O)NC[C@H](C)c2nc(-c3ccccc3)no2)c1-c1nnn[n-]1 ZINC000826346934 609467509 /nfs/dbraw/zinc/46/75/09/609467509.db2.gz ZCKAFHCYCGIANN-JTQLQIEISA-N -1 1 394.395 1.676 20 0 GDADMM Cc1onc(CC(=O)NC[C@H](C)c2nc(-c3ccccc3)no2)c1-c1nn[n-]n1 ZINC000826346934 609467511 /nfs/dbraw/zinc/46/75/11/609467511.db2.gz ZCKAFHCYCGIANN-JTQLQIEISA-N -1 1 394.395 1.676 20 0 GDADMM Cc1onc(CC(=O)Nc2nnc(C=Cc3ccco3)s2)c1-c1nnn[n-]1 ZINC000826349338 609469657 /nfs/dbraw/zinc/46/96/57/609469657.db2.gz FFASXFMKXUWOTQ-SNAWJCMRSA-N -1 1 384.381 1.959 20 0 GDADMM Cc1onc(CC(=O)Nc2nnc(C=Cc3ccco3)s2)c1-c1nn[n-]n1 ZINC000826349338 609469659 /nfs/dbraw/zinc/46/96/59/609469659.db2.gz FFASXFMKXUWOTQ-SNAWJCMRSA-N -1 1 384.381 1.959 20 0 GDADMM Cc1onc(CC(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)c1-c1nnn[n-]1 ZINC000826343802 609470054 /nfs/dbraw/zinc/47/00/54/609470054.db2.gz NSIDGWWMOBPFIB-HZMBPMFUSA-N -1 1 390.350 1.318 20 0 GDADMM Cc1onc(CC(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)c1-c1nn[n-]n1 ZINC000826343802 609470055 /nfs/dbraw/zinc/47/00/55/609470055.db2.gz NSIDGWWMOBPFIB-HZMBPMFUSA-N -1 1 390.350 1.318 20 0 GDADMM COc1ccc([C@H](OC)[C@@H](C)NC(=O)Cc2noc(C)c2-c2nnn[n-]2)cc1 ZINC000826188943 609470414 /nfs/dbraw/zinc/47/04/14/609470414.db2.gz KDGGRPRUBGPJHC-BMLIUANNSA-N -1 1 386.412 1.607 20 0 GDADMM COc1ccc([C@H](OC)[C@@H](C)NC(=O)Cc2noc(C)c2-c2nn[n-]n2)cc1 ZINC000826188943 609470416 /nfs/dbraw/zinc/47/04/16/609470416.db2.gz KDGGRPRUBGPJHC-BMLIUANNSA-N -1 1 386.412 1.607 20 0 GDADMM c1ccc(CN2CCO[C@@H](c3noc(-c4ccc(-c5nn[n-]n5)nc4)n3)C2)cc1 ZINC000826521523 609475936 /nfs/dbraw/zinc/47/59/36/609475936.db2.gz QBUSHDOEJSZEHQ-MRXNPFEDSA-N -1 1 390.407 1.885 20 0 GDADMM CCc1nnc(CN2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)s1 ZINC000825767005 609587671 /nfs/dbraw/zinc/58/76/71/609587671.db2.gz FURNSOWDMYEJII-UHFFFAOYSA-N -1 1 387.473 1.468 20 0 GDADMM C[N-]S(=O)(=O)c1cc(C(=O)NCCOc2ncc(Cl)cc2Cl)co1 ZINC000533703253 650212079 /nfs/dbraw/zinc/21/20/79/650212079.db2.gz CUEIRMCLDSSTOI-UHFFFAOYSA-N -1 1 394.236 1.698 20 0 GDADMM COc1cc(S(=O)(=O)N(CCN(C)C)CC(=O)[O-])ccc1Br ZINC000535497912 650248733 /nfs/dbraw/zinc/24/87/33/650248733.db2.gz ONRHYTWFGXSMQC-UHFFFAOYSA-N -1 1 395.275 1.095 20 0 GDADMM NS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cc1F ZINC000536656272 650276802 /nfs/dbraw/zinc/27/68/02/650276802.db2.gz SCQJVKXCYJROMC-UHFFFAOYSA-N -1 1 392.361 1.111 20 0 GDADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC2(CO)CCC2)c(OC)c1 ZINC000537164120 650287716 /nfs/dbraw/zinc/28/77/16/650287716.db2.gz AVJBQYHUFHIMAS-UHFFFAOYSA-N -1 1 392.499 1.040 20 0 GDADMM CCCN(C(=O)[C@H](C)Sc1nc(C)c(C)c(=O)[n-]1)[C@@H]1CCS(=O)(=O)C1 ZINC000537414834 650292310 /nfs/dbraw/zinc/29/23/10/650292310.db2.gz VJTZZNJCVJUILQ-QWHCGFSZSA-N -1 1 387.527 1.705 20 0 GDADMM CO[C@@H]1CCC[C@@H]1CNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000539223152 650331299 /nfs/dbraw/zinc/33/12/99/650331299.db2.gz KYFWOCBRUVCQRW-ZWNOBZJWSA-N -1 1 380.463 1.291 20 0 GDADMM CCO[C@@H]1COC[C@H]1[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000916153722 660187356 /nfs/dbraw/zinc/18/73/56/660187356.db2.gz JZPKHLKZVVSGFQ-MWLCHTKSSA-N -1 1 398.250 1.679 20 0 GDADMM Cc1nnc(C[N-]S(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)s1 ZINC000541870184 650394763 /nfs/dbraw/zinc/39/47/63/650394763.db2.gz RWWNKLPMPVKKIC-UHFFFAOYSA-N -1 1 395.915 1.523 20 0 GDADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](CO)c1cccc(Cl)c1F ZINC000544598743 650441542 /nfs/dbraw/zinc/44/15/42/650441542.db2.gz UWFQDINFXYRCHG-LLVKDONJSA-N -1 1 391.808 1.391 20 0 GDADMM Cn1cc([C@H](CO)NC(=O)c2ccc(I)c([O-])c2)cn1 ZINC000544877085 650447833 /nfs/dbraw/zinc/44/78/33/650447833.db2.gz KQQRTTGWFNSYHB-NSHDSACASA-N -1 1 387.177 1.194 20 0 GDADMM O=C(c1ccc(I)c([O-])c1)N1CC(=O)Nc2cnccc21 ZINC000544881231 650447848 /nfs/dbraw/zinc/44/78/48/650447848.db2.gz BCKRQCFQSMEXAG-UHFFFAOYSA-N -1 1 395.156 1.991 20 0 GDADMM CCCC[C@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(=O)OC ZINC000545471792 650457601 /nfs/dbraw/zinc/45/76/01/650457601.db2.gz QQRHXDCWEMYPCA-LBPRGKRZSA-N -1 1 396.462 1.207 20 0 GDADMM O=C(NCCCOc1ccc(Cl)cc1Cl)c1cc(=O)n2[n-]cnc2n1 ZINC000546082900 650470288 /nfs/dbraw/zinc/47/02/88/650470288.db2.gz YRFOORRLIXFZLM-UHFFFAOYSA-N -1 1 382.207 1.923 20 0 GDADMM CSC[C@@H](CCO)NC(=O)c1ccc(I)c([O-])c1 ZINC000546163946 650473201 /nfs/dbraw/zinc/47/32/01/650473201.db2.gz WQGSGDCPOWXWBK-SECBINFHSA-N -1 1 381.235 1.841 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(I)c([O-])c2)CC[S@@]1=O ZINC000546200532 650474316 /nfs/dbraw/zinc/47/43/16/650474316.db2.gz PZJQVEQWXCEWGN-CVJBHZAOSA-N -1 1 379.219 1.590 20 0 GDADMM Cn1c(CNC(=O)c2ccc(I)c([O-])c2)nnc1C1CC1 ZINC000546916961 650490143 /nfs/dbraw/zinc/49/01/43/650490143.db2.gz VCHDOLLSOMXKCG-UHFFFAOYSA-N -1 1 398.204 1.933 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C(=O)[O-])cs1 ZINC000547544496 650499966 /nfs/dbraw/zinc/49/99/66/650499966.db2.gz IXHKXBGHVIQITJ-UHFFFAOYSA-N -1 1 386.363 1.942 20 0 GDADMM O=C([O-])[C@H](Cc1cnc[nH]1)NS(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000547546734 650500226 /nfs/dbraw/zinc/50/02/26/650500226.db2.gz RUMALPLFEQVFSU-JTQLQIEISA-N -1 1 381.307 1.542 20 0 GDADMM COc1ccc(S(=O)(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])c(Cl)c1Cl ZINC000547558728 650502815 /nfs/dbraw/zinc/50/28/15/650502815.db2.gz ZSMDWBVFBOVRNL-MRVPVSSYSA-N -1 1 394.236 1.699 20 0 GDADMM O=C([O-])[C@@H](CN1CCCCC1)NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000547563354 650503212 /nfs/dbraw/zinc/50/32/12/650503212.db2.gz SMVHJBKTEFNFLJ-LLVKDONJSA-N -1 1 381.376 1.318 20 0 GDADMM C[C@H]1CN(CC[N-]S(=O)(=O)c2cc(Br)c(F)cc2F)CCO1 ZINC000548041617 650528714 /nfs/dbraw/zinc/52/87/14/650528714.db2.gz IERCDPUPFROTPQ-VIFPVBQESA-N -1 1 399.257 1.726 20 0 GDADMM COc1cc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cc(Br)c1OC ZINC000550715525 650596933 /nfs/dbraw/zinc/59/69/33/650596933.db2.gz MFRLHBADDTXMNC-SECBINFHSA-N -1 1 396.245 1.999 20 0 GDADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NCC(=O)N1CCCC1 ZINC000554144553 650669695 /nfs/dbraw/zinc/66/96/95/650669695.db2.gz FDSQRMJQOILPHU-UHFFFAOYSA-N -1 1 394.280 1.010 20 0 GDADMM COC(=O)c1c[n-]c(S(=O)(=O)[C@H](C)C(=O)Nc2ccc(C)cc2Cl)n1 ZINC000555119912 650686093 /nfs/dbraw/zinc/68/60/93/650686093.db2.gz RVXKJLZSDFMEDW-SECBINFHSA-N -1 1 385.829 1.959 20 0 GDADMM COCCOc1ccc(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)nn1 ZINC000564665590 650764131 /nfs/dbraw/zinc/76/41/31/650764131.db2.gz BSNATDSKPRHAET-UHFFFAOYSA-N -1 1 377.344 1.398 20 0 GDADMM CC(C)(C)CCNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cnc[nH]2)c1 ZINC000565229407 650786343 /nfs/dbraw/zinc/78/63/43/650786343.db2.gz CIINHDPPCSETGI-UHFFFAOYSA-N -1 1 386.499 1.925 20 0 GDADMM Cc1onc(N)c1S(=O)(=O)[N-]CCOc1ccc(Br)cc1 ZINC000565920102 650821046 /nfs/dbraw/zinc/82/10/46/650821046.db2.gz UFXDHLNITHVRPO-UHFFFAOYSA-N -1 1 376.232 1.685 20 0 GDADMM CO[C@H](CS(=O)(=O)[N-]c1cccc(S(=O)(=O)N2CCCC2)c1)C1CC1 ZINC000567047670 650881873 /nfs/dbraw/zinc/88/18/73/650881873.db2.gz QPCKYFFQVLPOEV-MRXNPFEDSA-N -1 1 388.511 1.638 20 0 GDADMM O=S(=O)([N-]CC(F)F)c1ccccc1S(=O)(=O)NC[C@@H]1CC12CC2 ZINC000567520906 650909377 /nfs/dbraw/zinc/90/93/77/650909377.db2.gz JEDRZISXTMBMLM-JTQLQIEISA-N -1 1 380.438 1.308 20 0 GDADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2C)o1 ZINC000046316077 644362142 /nfs/dbraw/zinc/36/21/42/644362142.db2.gz XWPRORRXJMOPJT-UHFFFAOYSA-N -1 1 386.813 1.945 20 0 GDADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2Cl)o1 ZINC000046316018 644362324 /nfs/dbraw/zinc/36/23/24/644362324.db2.gz QGJAPSMQHGIIQJ-UHFFFAOYSA-N -1 1 390.776 1.776 20 0 GDADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CC(=O)Nc1ccc(Cl)cc1 ZINC000053671662 644447691 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383.158 1.506 20 0 GDADMM CN1CCN(C)[C@H](CNC(=O)Nc2ccc(Br)c(C(=O)[O-])c2)C1 ZINC000322668909 970917662 /nfs/dbraw/zinc/91/76/62/970917662.db2.gz DCSONSSINZUWRQ-LLVKDONJSA-N -1 1 385.262 1.515 20 0 GDADMM O=C([O-])[C@H]1CC(C(=O)N[C@H](c2nnc[nH]2)c2ccccc2)=NN1c1ccccc1 ZINC001611328865 970994474 /nfs/dbraw/zinc/99/44/74/970994474.db2.gz PAYQXQCHWQYSHV-SJORKVTESA-N -1 1 390.403 1.730 20 0 GDADMM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000679291995 944640094 /nfs/dbraw/zinc/64/00/94/944640094.db2.gz JMZKYLTUFHJIJV-UHFFFAOYSA-N -1 1 386.437 1.346 20 0 GDADMM Cc1cc(C(=O)N2CCC(Nc3nc(C)cc(-c4nnn[n-]4)n3)CC2)ns1 ZINC001571261471 945426666 /nfs/dbraw/zinc/42/66/66/945426666.db2.gz GCOXZBRAODATRT-UHFFFAOYSA-N -1 1 385.457 1.447 20 0 GDADMM Cc1cc(C(=O)N2CCC(Nc3nc(C)cc(-c4nn[n-]n4)n3)CC2)ns1 ZINC001571261471 945426678 /nfs/dbraw/zinc/42/66/78/945426678.db2.gz GCOXZBRAODATRT-UHFFFAOYSA-N -1 1 385.457 1.447 20 0 GDADMM CCc1nc(NC[C@H]2CCCN2C(=O)c2ccsn2)cc(-c2nnn[n-]2)n1 ZINC001571262370 945436877 /nfs/dbraw/zinc/43/68/77/945436877.db2.gz QFHVVAPISVYXIQ-SNVBAGLBSA-N -1 1 385.457 1.392 20 0 GDADMM CCc1nc(NC[C@H]2CCCN2C(=O)c2ccsn2)cc(-c2nn[n-]n2)n1 ZINC001571262370 945436885 /nfs/dbraw/zinc/43/68/85/945436885.db2.gz QFHVVAPISVYXIQ-SNVBAGLBSA-N -1 1 385.457 1.392 20 0 GDADMM Cc1nsc(N2C[C@@H]3CCN(C(=O)c4ccoc4C)[C@@H]3C2)c1-c1nn[n-]n1 ZINC001571262343 945437017 /nfs/dbraw/zinc/43/70/17/945437017.db2.gz PSCICQOGBSDUDK-WCQYABFASA-N -1 1 385.453 1.884 20 0 GDADMM O=C(c1ccsn1)N1CCCCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571262850 945443732 /nfs/dbraw/zinc/44/37/32/945443732.db2.gz AKQHSEZDJGQCPH-NSHDSACASA-N -1 1 385.457 1.610 20 0 GDADMM O=C(c1ccsn1)N1CCCCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571262850 945443738 /nfs/dbraw/zinc/44/37/38/945443738.db2.gz AKQHSEZDJGQCPH-NSHDSACASA-N -1 1 385.457 1.610 20 0 GDADMM Cc1nsc(NCC[C@@H]2CCN(C(=O)c3cncnc3)C2)c1-c1nn[n-]n1 ZINC001571262886 945446365 /nfs/dbraw/zinc/44/63/65/945446365.db2.gz BGIXYDMUVSVONY-LLVKDONJSA-N -1 1 385.457 1.386 20 0 GDADMM Cc1ncc(C(=O)N2CCC(N(C)c3ccnc(-c4nn[n-]n4)n3)CC2)s1 ZINC001571263224 945454483 /nfs/dbraw/zinc/45/44/83/945454483.db2.gz KKVBTMUWSIGFAD-UHFFFAOYSA-N -1 1 385.457 1.163 20 0 GDADMM Cc1nsc(N[C@@H]2CCN(C(=O)c3ccnc(C)n3)[C@H]2C)c1-c1nn[n-]n1 ZINC001571263482 945458880 /nfs/dbraw/zinc/45/88/80/945458880.db2.gz RHLUUGIOJDWHHU-GXSJLCMTSA-N -1 1 385.457 1.445 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000820513444 945472616 /nfs/dbraw/zinc/47/26/16/945472616.db2.gz ZYDIMIXFIITPNX-MRVPVSSYSA-N -1 1 386.393 1.211 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000820513444 945472620 /nfs/dbraw/zinc/47/26/20/945472620.db2.gz ZYDIMIXFIITPNX-MRVPVSSYSA-N -1 1 386.393 1.211 20 0 GDADMM C[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)c1cccc(F)c1F ZINC001571266871 945553806 /nfs/dbraw/zinc/55/38/06/945553806.db2.gz ATKBTKJTCIMPOO-UWVGGRQHSA-N -1 1 386.366 1.072 20 0 GDADMM CN(C(=O)c1ccc(F)c(F)c1)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571267058 945560963 /nfs/dbraw/zinc/56/09/63/945560963.db2.gz IBLYNHUPQLFKGE-NSHDSACASA-N -1 1 386.366 1.286 20 0 GDADMM COc1csc(C(=O)N[C@]2(C)CCN(c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571269711 945624838 /nfs/dbraw/zinc/62/48/38/945624838.db2.gz CPLYLYCYWXFUFK-MRXNPFEDSA-N -1 1 386.441 1.126 20 0 GDADMM COc1csc(C(=O)N[C@]2(C)CCN(c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571269711 945624847 /nfs/dbraw/zinc/62/48/47/945624847.db2.gz CPLYLYCYWXFUFK-MRXNPFEDSA-N -1 1 386.441 1.126 20 0 GDADMM C[C@H]1CN(C(=O)COc2ccsc2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571269833 945624969 /nfs/dbraw/zinc/62/49/69/945624969.db2.gz DRZXQRCMRVZZHN-GXFFZTMASA-N -1 1 386.441 1.056 20 0 GDADMM C[C@H]1CN(C(=O)COc2ccsc2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571269833 945624972 /nfs/dbraw/zinc/62/49/72/945624972.db2.gz DRZXQRCMRVZZHN-GXFFZTMASA-N -1 1 386.441 1.056 20 0 GDADMM COc1cccc(C(=O)N[C@H]2C[C@@H](Nc3snc(C)c3-c3nn[n-]n3)C2)n1 ZINC001571269879 945624999 /nfs/dbraw/zinc/62/49/99/945624999.db2.gz GGHYNINIIVUXHH-AOOOYVTPSA-N -1 1 386.441 1.408 20 0 GDADMM COc1cc(C)sc1C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571270007 945628995 /nfs/dbraw/zinc/62/89/95/945628995.db2.gz KGIZRDCUPRWTOV-JTQLQIEISA-N -1 1 386.441 1.044 20 0 GDADMM COc1cc(C)sc1C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571270007 945629001 /nfs/dbraw/zinc/62/90/01/945629001.db2.gz KGIZRDCUPRWTOV-JTQLQIEISA-N -1 1 386.441 1.044 20 0 GDADMM Cc1[nH]nc(NC(=O)CSCC(=O)Nc2ccc(C)cc2)c1-c1nn[n-]n1 ZINC001571270342 945634415 /nfs/dbraw/zinc/63/44/15/945634415.db2.gz QQFUGQMRKCTJFS-UHFFFAOYSA-N -1 1 386.441 1.517 20 0 GDADMM CCn1cccc1C(=O)N[C@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571271633 945646400 /nfs/dbraw/zinc/64/64/00/945646400.db2.gz GCLGFSCZFFXQKO-LBPRGKRZSA-N -1 1 386.485 1.852 20 0 GDADMM O=C([C@H]1CCCCO1)N1CCCCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571272431 945662033 /nfs/dbraw/zinc/66/20/33/945662033.db2.gz DMYDGVFULHBZJS-ZIAGYGMSSA-N -1 1 386.460 1.409 20 0 GDADMM O=C([C@H]1CCCCO1)N1CCCCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571272431 945662036 /nfs/dbraw/zinc/66/20/36/945662036.db2.gz DMYDGVFULHBZJS-ZIAGYGMSSA-N -1 1 386.460 1.409 20 0 GDADMM Cc1ccc(C(=O)N(C)[C@@H]2CCN(c3snc(C)c3-c3nn[n-]n3)C2)n1C ZINC001571272519 945666049 /nfs/dbraw/zinc/66/60/49/945666049.db2.gz VJSBHUJLAIWYMM-GFCCVEGCSA-N -1 1 386.485 1.629 20 0 GDADMM Cn1nc(C(F)(F)F)c(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)c1Cl ZINC001571272731 945669595 /nfs/dbraw/zinc/66/95/95/945669595.db2.gz YUSNPAILJFPMLS-UHFFFAOYSA-N -1 1 386.725 1.849 20 0 GDADMM Cn1nc(C(F)(F)F)c(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)c1Cl ZINC001571272731 945669599 /nfs/dbraw/zinc/66/95/99/945669599.db2.gz YUSNPAILJFPMLS-UHFFFAOYSA-N -1 1 386.725 1.849 20 0 GDADMM O=C([C@@H]1CCCOC1)N1CCCC[C@@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001571272691 945669683 /nfs/dbraw/zinc/66/96/83/945669683.db2.gz HQBYEJPHJARCCW-ZIAGYGMSSA-N -1 1 386.460 1.266 20 0 GDADMM O=C([C@@H]1CCCOC1)N1CCCC[C@@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001571272691 945669688 /nfs/dbraw/zinc/66/96/88/945669688.db2.gz HQBYEJPHJARCCW-ZIAGYGMSSA-N -1 1 386.460 1.266 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCCN(C(=O)[C@@H]3CCCOCC3)C2)n1 ZINC001571273440 945688657 /nfs/dbraw/zinc/68/86/57/945688657.db2.gz XNQLBVMXGVHCEL-KGLIPLIRSA-N -1 1 386.460 1.185 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCCN(C(=O)[C@@H]3CCCOCC3)C2)n1 ZINC001571273440 945688665 /nfs/dbraw/zinc/68/86/65/945688665.db2.gz XNQLBVMXGVHCEL-KGLIPLIRSA-N -1 1 386.460 1.185 20 0 GDADMM O=C(N[C@H]1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1)C1CCOCC1 ZINC001571273507 945689614 /nfs/dbraw/zinc/68/96/14/945689614.db2.gz YTLBBRBWLGYHOX-KGLIPLIRSA-N -1 1 386.460 1.170 20 0 GDADMM O=C(N[C@H]1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1)C1CCOCC1 ZINC001571273507 945689619 /nfs/dbraw/zinc/68/96/19/945689619.db2.gz YTLBBRBWLGYHOX-KGLIPLIRSA-N -1 1 386.460 1.170 20 0 GDADMM CCOc1ccccc1CCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000821430633 945691984 /nfs/dbraw/zinc/69/19/84/945691984.db2.gz AUACDRKAWSBLPR-UHFFFAOYSA-N -1 1 398.471 1.595 20 0 GDADMM CCOc1ccccc1CCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000821430633 945691991 /nfs/dbraw/zinc/69/19/91/945691991.db2.gz AUACDRKAWSBLPR-UHFFFAOYSA-N -1 1 398.471 1.595 20 0 GDADMM CC[C@@H]1CC[C@@H](C(=O)N[C@H]2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)CC2)O1 ZINC001571275833 945716465 /nfs/dbraw/zinc/71/64/65/945716465.db2.gz DDDZSDGTGTZKHZ-BHPKHCPMSA-N -1 1 386.460 1.454 20 0 GDADMM CC[C@@H]1CC[C@@H](C(=O)N[C@H]2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)CC2)O1 ZINC001571275833 945716468 /nfs/dbraw/zinc/71/64/68/945716468.db2.gz DDDZSDGTGTZKHZ-BHPKHCPMSA-N -1 1 386.460 1.454 20 0 GDADMM CC(C)[C@@H]1C[C@@H](C(=O)N[C@H]2C[C@H](Nc3nccnc3-c3nnn[n-]3)C2)CCO1 ZINC001571276054 945723585 /nfs/dbraw/zinc/72/35/85/945723585.db2.gz GHAIUGJHVOONPE-XUXIUFHCSA-N -1 1 386.460 1.167 20 0 GDADMM CC(C)[C@@H]1C[C@@H](C(=O)N[C@H]2C[C@H](Nc3nccnc3-c3nn[n-]n3)C2)CCO1 ZINC001571276054 945723591 /nfs/dbraw/zinc/72/35/91/945723591.db2.gz GHAIUGJHVOONPE-XUXIUFHCSA-N -1 1 386.460 1.167 20 0 GDADMM C[C@@H]1C[C@H](C(=O)N[C@H]2CC[C@H](CNc3cncc(-c4nnn[n-]4)n3)CC2)CO1 ZINC001571276598 945731869 /nfs/dbraw/zinc/73/18/69/945731869.db2.gz JKSNXGKOBOVCEL-YIYPIFLZSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@@H]1C[C@H](C(=O)N[C@H]2CC[C@H](CNc3cncc(-c4nn[n-]n4)n3)CC2)CO1 ZINC001571276598 945731873 /nfs/dbraw/zinc/73/18/73/945731873.db2.gz JKSNXGKOBOVCEL-YIYPIFLZSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CCN(C(=O)[C@H]2CCCOC2)CC1 ZINC001571278675 945757549 /nfs/dbraw/zinc/75/75/49/945757549.db2.gz QNLGMWJIOCRDIC-JSGCOSHPSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CCN(C(=O)[C@H]2CCCOC2)CC1 ZINC001571278675 945757564 /nfs/dbraw/zinc/75/75/64/945757564.db2.gz QNLGMWJIOCRDIC-JSGCOSHPSA-N -1 1 386.460 1.122 20 0 GDADMM CCO[C@H]1C[C@H]1C(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571278683 945758512 /nfs/dbraw/zinc/75/85/12/945758512.db2.gz QRKIUIOFINOGMU-BHPKHCPMSA-N -1 1 386.460 1.169 20 0 GDADMM CCO[C@H]1C[C@H]1C(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571278683 945758517 /nfs/dbraw/zinc/75/85/17/945758517.db2.gz QRKIUIOFINOGMU-BHPKHCPMSA-N -1 1 386.460 1.169 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001571278790 945761328 /nfs/dbraw/zinc/76/13/28/945761328.db2.gz CCRVDWYKZOQFPU-QWHCGFSZSA-N -1 1 387.444 1.571 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001571278790 945761333 /nfs/dbraw/zinc/76/13/33/945761333.db2.gz CCRVDWYKZOQFPU-QWHCGFSZSA-N -1 1 387.444 1.571 20 0 GDADMM CC1(C)CC[C@H](C(=O)N2CCO[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)C1 ZINC001571279376 945778122 /nfs/dbraw/zinc/77/81/22/945778122.db2.gz VYJQMAPUZLYNGG-STQMWFEESA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CC[C@H](C(=O)N2CCO[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)C1 ZINC001571279376 945778128 /nfs/dbraw/zinc/77/81/28/945778128.db2.gz VYJQMAPUZLYNGG-STQMWFEESA-N -1 1 386.460 1.122 20 0 GDADMM CCN(CC(=O)N1CCCCCC1)C(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001571279504 945780366 /nfs/dbraw/zinc/78/03/66/945780366.db2.gz QMXUXAWMRBFKQH-UHFFFAOYSA-N -1 1 387.444 1.140 20 0 GDADMM C[C@H]1CC[C@H](CCC(=O)N2CCCN(c3ccc(-c4nnn[n-]4)nn3)CC2)O1 ZINC001571279668 945785190 /nfs/dbraw/zinc/78/51/90/945785190.db2.gz XULWVCMXVRVTDC-UONOGXRCSA-N -1 1 386.460 1.043 20 0 GDADMM C[C@H]1CC[C@H](CCC(=O)N2CCCN(c3ccc(-c4nn[n-]n4)nn3)CC2)O1 ZINC001571279668 945785198 /nfs/dbraw/zinc/78/51/98/945785198.db2.gz XULWVCMXVRVTDC-UONOGXRCSA-N -1 1 386.460 1.043 20 0 GDADMM CC(C)c1oncc1C(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571281290 945801496 /nfs/dbraw/zinc/80/14/96/945801496.db2.gz GHRLUCKAUXEHCF-UHFFFAOYSA-N -1 1 387.469 1.996 20 0 GDADMM CCc1nc[nH]c1C(=O)NC[C@@H]1CCCN1c1snc(C)c1-c1nn[n-]n1 ZINC001571281641 945808586 /nfs/dbraw/zinc/80/85/86/945808586.db2.gz KNHVNSDYBXCJLQ-JTQLQIEISA-N -1 1 387.473 1.316 20 0 GDADMM Cc1c[nH]c(C(=O)N[C@H]2CC[C@H](C)N(c3snc(C)c3-c3nn[n-]n3)C2)n1 ZINC001571281716 945808811 /nfs/dbraw/zinc/80/88/11/945808811.db2.gz MIMJYNMTXJNIBN-ONGXEEELSA-N -1 1 387.473 1.450 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Cc1nc(C2CC2)cs1 ZINC001571281749 945814194 /nfs/dbraw/zinc/81/41/94/945814194.db2.gz NACJRVTVCZHJKP-UHFFFAOYSA-N -1 1 387.473 1.140 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Cc1nc(C2CC2)cs1 ZINC001571281749 945814202 /nfs/dbraw/zinc/81/42/02/945814202.db2.gz NACJRVTVCZHJKP-UHFFFAOYSA-N -1 1 387.473 1.140 20 0 GDADMM Cc1nsc(N(C)C[C@H]2CCCCN2C(=O)c2cn[nH]c2)c1-c1nn[n-]n1 ZINC001571282191 945831142 /nfs/dbraw/zinc/83/11/42/945831142.db2.gz TYBPHCHPBOVUGO-GFCCVEGCSA-N -1 1 387.473 1.486 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ccc(Cl)[nH]2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001571283871 945890287 /nfs/dbraw/zinc/89/02/87/945890287.db2.gz JTGKSLPZHKSVJP-ZJUUUORDSA-N -1 1 387.835 1.426 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ccc(Cl)[nH]2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001571283871 945890306 /nfs/dbraw/zinc/89/03/06/945890306.db2.gz JTGKSLPZHKSVJP-ZJUUUORDSA-N -1 1 387.835 1.426 20 0 GDADMM CC1(C)CN(c2cnc(-c3nnn[n-]3)cn2)C[C@@H]1NC(=O)c1ccc(Cl)[nH]1 ZINC001571285202 945911578 /nfs/dbraw/zinc/91/15/78/945911578.db2.gz ZLHWZDBVTFUFPL-NSHDSACASA-N -1 1 387.835 1.283 20 0 GDADMM CC1(C)CN(c2cnc(-c3nn[n-]n3)cn2)C[C@@H]1NC(=O)c1ccc(Cl)[nH]1 ZINC001571285202 945911582 /nfs/dbraw/zinc/91/15/82/945911582.db2.gz ZLHWZDBVTFUFPL-NSHDSACASA-N -1 1 387.835 1.283 20 0 GDADMM C[C@H](Nc1nccnc1-c1nnn[n-]1)[C@H]1CCN(C(=O)c2sccc2F)C1 ZINC001571286389 945945079 /nfs/dbraw/zinc/94/50/79/945945079.db2.gz GNARUSNUMSLIBL-UWVGGRQHSA-N -1 1 388.432 1.820 20 0 GDADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)[C@H]1CCN(C(=O)c2sccc2F)C1 ZINC001571286389 945945092 /nfs/dbraw/zinc/94/50/92/945945092.db2.gz GNARUSNUMSLIBL-UWVGGRQHSA-N -1 1 388.432 1.820 20 0 GDADMM CCS(=O)(=O)c1ccccc1C(=O)Nc1cnc(OC)c(-c2nn[n-]n2)c1 ZINC001571286409 945948191 /nfs/dbraw/zinc/94/81/91/945948191.db2.gz HATDGUAODDHPBT-UHFFFAOYSA-N -1 1 388.409 1.316 20 0 GDADMM CCN(C(=O)c1sccc1F)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571286611 945953389 /nfs/dbraw/zinc/95/33/89/945953389.db2.gz MHVLZOKJFWTVQA-SNVBAGLBSA-N -1 1 388.432 1.598 20 0 GDADMM CCN(C(=O)c1sccc1F)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571286611 945953395 /nfs/dbraw/zinc/95/33/95/945953395.db2.gz MHVLZOKJFWTVQA-SNVBAGLBSA-N -1 1 388.432 1.598 20 0 GDADMM CC1(C)CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1NC(=O)c1sccc1F ZINC001571286572 945953683 /nfs/dbraw/zinc/95/36/83/945953683.db2.gz LGZICIDDHCOXMY-NSHDSACASA-N -1 1 388.432 1.502 20 0 GDADMM CC1(C)CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1NC(=O)c1sccc1F ZINC001571286572 945953689 /nfs/dbraw/zinc/95/36/89/945953689.db2.gz LGZICIDDHCOXMY-NSHDSACASA-N -1 1 388.432 1.502 20 0 GDADMM C[C@@H]1CN(C(=O)c2sccc2F)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571286708 945955171 /nfs/dbraw/zinc/95/51/71/945955171.db2.gz PPAFSISIYLEQHZ-ZJUUUORDSA-N -1 1 388.432 1.678 20 0 GDADMM C[C@@H]1CN(C(=O)c2sccc2F)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571286708 945955181 /nfs/dbraw/zinc/95/51/81/945955181.db2.gz PPAFSISIYLEQHZ-ZJUUUORDSA-N -1 1 388.432 1.678 20 0 GDADMM O=C(c1ccc(F)s1)N1CCC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571287813 945977784 /nfs/dbraw/zinc/97/77/84/945977784.db2.gz ILFJYAYIHSNADW-JTQLQIEISA-N -1 1 388.432 1.822 20 0 GDADMM O=C(c1ccc(F)s1)N1CCC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571287813 945977788 /nfs/dbraw/zinc/97/77/88/945977788.db2.gz ILFJYAYIHSNADW-JTQLQIEISA-N -1 1 388.432 1.822 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H]3CN(C(=O)C(C)(C)F)CC[C@H]32)n1 ZINC001571289491 946006707 /nfs/dbraw/zinc/00/67/07/946006707.db2.gz FVIXQXKAOBRXRN-DGCLKSJQSA-N -1 1 388.451 1.394 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H]3CN(C(=O)C(C)(C)F)CC[C@H]32)n1 ZINC001571289491 946006713 /nfs/dbraw/zinc/00/67/13/946006713.db2.gz FVIXQXKAOBRXRN-DGCLKSJQSA-N -1 1 388.451 1.394 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H](F)C(C)C)n1 ZINC001571289619 946011450 /nfs/dbraw/zinc/01/14/50/946011450.db2.gz IVHCKGTVXYCKEG-BFQNTYOBSA-N -1 1 388.451 1.393 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H](F)C(C)C)n1 ZINC001571289619 946011457 /nfs/dbraw/zinc/01/14/57/946011457.db2.gz IVHCKGTVXYCKEG-BFQNTYOBSA-N -1 1 388.451 1.393 20 0 GDADMM O=C([C@H]1CC[C@@H](F)C1)N1CCC(CCNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571289580 946013049 /nfs/dbraw/zinc/01/30/49/946013049.db2.gz ICSGFCQFTUKMGX-UONOGXRCSA-N -1 1 388.451 1.836 20 0 GDADMM O=C([C@H]1CC[C@@H](F)C1)N1CCC(CCNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571289580 946013054 /nfs/dbraw/zinc/01/30/54/946013054.db2.gz ICSGFCQFTUKMGX-UONOGXRCSA-N -1 1 388.451 1.836 20 0 GDADMM Cc1ncoc1C(=O)N[C@@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)[C@H]1C ZINC001571290016 946026309 /nfs/dbraw/zinc/02/63/09/946026309.db2.gz SMPHPSWIBUSAHP-WDEREUQCSA-N -1 1 388.457 1.715 20 0 GDADMM O=C(c1ccc(F)cc1Cl)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571290481 946045716 /nfs/dbraw/zinc/04/57/16/946045716.db2.gz GHOJOCMZSMBUFK-JTQLQIEISA-N -1 1 388.794 1.776 20 0 GDADMM O=C(c1ccc(F)cc1Cl)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571290481 946045730 /nfs/dbraw/zinc/04/57/30/946045730.db2.gz GHOJOCMZSMBUFK-JTQLQIEISA-N -1 1 388.794 1.776 20 0 GDADMM C[C@@H]1C[C@@H](NC(=O)c2occc2Cl)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571290540 946047184 /nfs/dbraw/zinc/04/71/84/946047184.db2.gz IINPOMCSGHRKKG-ZJUUUORDSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@@H]1C[C@@H](NC(=O)c2occc2Cl)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571290540 946047196 /nfs/dbraw/zinc/04/71/96/946047196.db2.gz IINPOMCSGHRKKG-ZJUUUORDSA-N -1 1 388.819 1.690 20 0 GDADMM O=C(N[C@H]1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1)c1occc1Cl ZINC001571290804 946055746 /nfs/dbraw/zinc/05/57/46/946055746.db2.gz PQJJFZQXGGIWFN-ONGXEEELSA-N -1 1 388.819 1.914 20 0 GDADMM O=C(N[C@H]1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1)c1occc1Cl ZINC001571290804 946055762 /nfs/dbraw/zinc/05/57/62/946055762.db2.gz PQJJFZQXGGIWFN-ONGXEEELSA-N -1 1 388.819 1.914 20 0 GDADMM Cc1[nH]nc(Cl)c1C(=O)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571290982 946063052 /nfs/dbraw/zinc/06/30/52/946063052.db2.gz WQHSLDBVIHKEAO-SECBINFHSA-N -1 1 388.823 1.058 20 0 GDADMM Cc1[nH]nc(Cl)c1C(=O)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571290982 946063063 /nfs/dbraw/zinc/06/30/63/946063063.db2.gz WQHSLDBVIHKEAO-SECBINFHSA-N -1 1 388.823 1.058 20 0 GDADMM Cc1cnc(CNC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)o1 ZINC000822395230 946081293 /nfs/dbraw/zinc/08/12/93/946081293.db2.gz XFYGITDRLWLESL-UHFFFAOYSA-N -1 1 381.400 1.072 20 0 GDADMM Cc1cnc(CNC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)o1 ZINC000822395230 946081306 /nfs/dbraw/zinc/08/13/06/946081306.db2.gz XFYGITDRLWLESL-UHFFFAOYSA-N -1 1 381.400 1.072 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCc1cccn1C ZINC000822459114 946094439 /nfs/dbraw/zinc/09/44/39/946094439.db2.gz MXGOKVSZHAWYQR-UHFFFAOYSA-N -1 1 379.428 1.114 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCc1cccn1C ZINC000822459114 946094450 /nfs/dbraw/zinc/09/44/50/946094450.db2.gz MXGOKVSZHAWYQR-UHFFFAOYSA-N -1 1 379.428 1.114 20 0 GDADMM Cc1nn(CCC(=O)Nc2cc(F)cc(F)c2)c(=O)c(-c2nn[n-]n2)c1C ZINC000822500872 946105462 /nfs/dbraw/zinc/10/54/62/946105462.db2.gz KGWBKCIAUXZZGU-UHFFFAOYSA-N -1 1 375.339 1.347 20 0 GDADMM CCOc1cc(C(=O)NC[C@@H]2CCN2Cc2ccc(-c3nn[n-]n3)s2)on1 ZINC001571294018 946123566 /nfs/dbraw/zinc/12/35/66/946123566.db2.gz YMDGIPAKMRBIET-JTQLQIEISA-N -1 1 389.441 1.319 20 0 GDADMM Cc1nsc(N2CC[C@H](N(C)C(=O)Cc3ccsc3)C2)c1-c1nn[n-]n1 ZINC001571294497 946135932 /nfs/dbraw/zinc/13/59/32/946135932.db2.gz HQOAWZFPSSZNMW-LBPRGKRZSA-N -1 1 389.510 1.973 20 0 GDADMM CN(C(=O)c1ccc(Cl)cn1)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571294792 946145678 /nfs/dbraw/zinc/14/56/78/946145678.db2.gz MFBQKHZDXJZJOX-UHFFFAOYSA-N -1 1 389.872 1.933 20 0 GDADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@H](CC(C)C)C(=O)OC(C)(C)C ZINC001571295641 946170303 /nfs/dbraw/zinc/17/03/03/946170303.db2.gz AILRVWOLURDHBB-GFCCVEGCSA-N -1 1 390.444 1.762 20 0 GDADMM Cc1cc(OCC(=O)N2CC[C@H](Nc3snc(C)c3-c3nn[n-]n3)C2)no1 ZINC001571296476 946197026 /nfs/dbraw/zinc/19/70/26/946197026.db2.gz YZFQCPSXLZZVHC-JTQLQIEISA-N -1 1 390.429 1.020 20 0 GDADMM O=C(N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cccc(C2CCC2)c1 ZINC001571297892 946199368 /nfs/dbraw/zinc/19/93/68/946199368.db2.gz CFYDMSATZZNLSX-INIZCTEOSA-N -1 1 390.451 1.933 20 0 GDADMM O=C(N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cccc(C2CCC2)c1 ZINC001571297892 946199376 /nfs/dbraw/zinc/19/93/76/946199376.db2.gz CFYDMSATZZNLSX-INIZCTEOSA-N -1 1 390.451 1.933 20 0 GDADMM O=C(Cc1ccc(Cl)s1)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571299081 946237731 /nfs/dbraw/zinc/23/77/31/946237731.db2.gz ICRLAQBVUAIJTL-VIFPVBQESA-N -1 1 390.860 1.627 20 0 GDADMM O=C(Cc1ccc(Cl)s1)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571299081 946237738 /nfs/dbraw/zinc/23/77/38/946237738.db2.gz ICRLAQBVUAIJTL-VIFPVBQESA-N -1 1 390.860 1.627 20 0 GDADMM C[C@H]1CN(C(=O)c2ccsc2Cl)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571299095 946238128 /nfs/dbraw/zinc/23/81/28/946238128.db2.gz IOHPGBSUZXXGIF-KWQFWETISA-N -1 1 390.860 1.944 20 0 GDADMM C[C@H]1CN(C(=O)c2ccsc2Cl)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571299095 946238141 /nfs/dbraw/zinc/23/81/41/946238141.db2.gz IOHPGBSUZXXGIF-KWQFWETISA-N -1 1 390.860 1.944 20 0 GDADMM Cc1cc(C(=O)NC[C@H]2CCCN2c2snc(C)c2-c2nn[n-]n2)ns1 ZINC001571299253 946242986 /nfs/dbraw/zinc/24/29/86/946242986.db2.gz VCODEQWLVLGIMJ-SNVBAGLBSA-N -1 1 390.498 1.795 20 0 GDADMM CC(=O)N[C@H](CC(=O)Nc1c[nH]nc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC001573487464 946255116 /nfs/dbraw/zinc/25/51/16/946255116.db2.gz OOTKFJADPHAQAV-LLVKDONJSA-N -1 1 376.327 1.074 20 0 GDADMM Cc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571299820 946262897 /nfs/dbraw/zinc/26/28/97/946262897.db2.gz VNWDFKMRCOPGLH-VNQPRFMTSA-N -1 1 390.451 1.464 20 0 GDADMM O=C1NCC[C@@H]1CCn1c(=O)c(-c2nn[n-]n2)ccc1-c1ccc(Cl)s1 ZINC001571299896 946265205 /nfs/dbraw/zinc/26/52/05/946265205.db2.gz QHLRTXPFVNVTDA-SECBINFHSA-N -1 1 390.856 1.937 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cscc1Cl ZINC001571300154 946275076 /nfs/dbraw/zinc/27/50/76/946275076.db2.gz VVDAPYZFQMOJFD-DTORHVGOSA-N -1 1 390.860 1.992 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cscc1Cl ZINC001571300154 946275090 /nfs/dbraw/zinc/27/50/90/946275090.db2.gz VVDAPYZFQMOJFD-DTORHVGOSA-N -1 1 390.860 1.992 20 0 GDADMM O=C(NC[C@@H]1CCCN1c1nc(-c2nn[n-]n2)c(Cl)s1)c1ccncc1 ZINC001571300304 946281193 /nfs/dbraw/zinc/28/11/93/946281193.db2.gz ZGEZHRUUBAPDNU-JTQLQIEISA-N -1 1 390.860 1.770 20 0 GDADMM CC(=O)N[C@@H]1CN(c2snc(C)c2-c2nn[n-]n2)CC2(CCOCC2)C1 ZINC001573496721 946326627 /nfs/dbraw/zinc/32/66/27/946326627.db2.gz AXYCYAWVXYPNKA-LBPRGKRZSA-N -1 1 377.474 1.143 20 0 GDADMM Cc1ccc(N2C[C@@H](C(=O)NCc3ccnc(-c4nnn[n-]4)c3)CC2=O)cc1C ZINC001571303205 946329553 /nfs/dbraw/zinc/32/95/53/946329553.db2.gz JSNJQJAZHAUPFA-HNNXBMFYSA-N -1 1 391.435 1.548 20 0 GDADMM Cc1ccc(N2C[C@@H](C(=O)NCc3ccnc(-c4nn[n-]n4)c3)CC2=O)cc1C ZINC001571303205 946329565 /nfs/dbraw/zinc/32/95/65/946329565.db2.gz JSNJQJAZHAUPFA-HNNXBMFYSA-N -1 1 391.435 1.548 20 0 GDADMM O=C(c1ccncc1)N1CCC[C@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001571303278 946331720 /nfs/dbraw/zinc/33/17/20/946331720.db2.gz NHNMNPVZSONYSA-LJQANCHMSA-N -1 1 391.439 1.184 20 0 GDADMM O=C(c1ccncc1)N1CCC[C@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001571303278 946331736 /nfs/dbraw/zinc/33/17/36/946331736.db2.gz NHNMNPVZSONYSA-LJQANCHMSA-N -1 1 391.439 1.184 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2nc(C)cc(-c3nnn[n-]3)n2)ccn1 ZINC001571303405 946332716 /nfs/dbraw/zinc/33/27/16/946332716.db2.gz QCJSZVXFIYVURD-FMKPAKJESA-N -1 1 391.439 1.208 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2nc(C)cc(-c3nn[n-]n3)n2)ccn1 ZINC001571303405 946332728 /nfs/dbraw/zinc/33/27/28/946332728.db2.gz QCJSZVXFIYVURD-FMKPAKJESA-N -1 1 391.439 1.208 20 0 GDADMM O=C(N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)C1(c2ccccn2)CC1 ZINC001571303462 946336352 /nfs/dbraw/zinc/33/63/52/946336352.db2.gz RFDUDJULKOPTEF-CYBMUJFWSA-N -1 1 391.439 1.186 20 0 GDADMM O=C(N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)C1(c2ccccn2)CC1 ZINC001571303462 946336363 /nfs/dbraw/zinc/33/63/63/946336363.db2.gz RFDUDJULKOPTEF-CYBMUJFWSA-N -1 1 391.439 1.186 20 0 GDADMM O=C(c1cccnc1C1CC1)N1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571303609 946343655 /nfs/dbraw/zinc/34/36/55/946343655.db2.gz UIMRLVYBINBJCE-ZDUSSCGKSA-N -1 1 391.439 1.646 20 0 GDADMM O=C(c1cccnc1C1CC1)N1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571303609 946343668 /nfs/dbraw/zinc/34/36/68/946343668.db2.gz UIMRLVYBINBJCE-ZDUSSCGKSA-N -1 1 391.439 1.646 20 0 GDADMM Cc1cnccc1C(=O)N[C@]12CCC[C@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001571303836 946350279 /nfs/dbraw/zinc/35/02/79/946350279.db2.gz ZCPPWQWTGXHICN-BEFAXECRSA-N -1 1 391.439 1.292 20 0 GDADMM Cc1cnccc1C(=O)N[C@]12CCC[C@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001571303836 946350290 /nfs/dbraw/zinc/35/02/90/946350290.db2.gz ZCPPWQWTGXHICN-BEFAXECRSA-N -1 1 391.439 1.292 20 0 GDADMM Cc1ccc([C@H](O)CNS(=O)(=O)c2c(C)cc(F)cc2-c2nn[n-]n2)cc1 ZINC001571303946 946351670 /nfs/dbraw/zinc/35/16/70/946351670.db2.gz SXVOJLSZVFGIQB-OAHLLOKOSA-N -1 1 391.428 1.635 20 0 GDADMM Cc1nsc(N2C[C@@H](NC(=O)c3csnn3)CC[C@@H]2C)c1-c1nn[n-]n1 ZINC001571305447 946362777 /nfs/dbraw/zinc/36/27/77/946362777.db2.gz BIQLTIRFPKEZCT-CBAPKCEASA-N -1 1 391.486 1.270 20 0 GDADMM Cc1nsc(N[C@H](C)[C@H]2CCN(C(=O)CC3(O)CCC3)C2)c1-c1nn[n-]n1 ZINC001571305601 946370513 /nfs/dbraw/zinc/37/05/13/946370513.db2.gz HAEALIVZENUIOP-PWSUYJOCSA-N -1 1 391.501 1.586 20 0 GDADMM CCN(C(=O)C1CC(OC)C1)[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571305678 946373723 /nfs/dbraw/zinc/37/37/23/946373723.db2.gz JDASXWYEXBWIDP-CPCZMJQVSA-N -1 1 391.501 1.484 20 0 GDADMM O=C(c1cnccn1)N1CCC[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571305817 946376927 /nfs/dbraw/zinc/37/69/27/946376927.db2.gz KUGRUKJSIISYGW-MRVPVSSYSA-N -1 1 391.848 1.483 20 0 GDADMM O=C(c1cnccn1)N1CCC[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571305817 946376935 /nfs/dbraw/zinc/37/69/35/946376935.db2.gz KUGRUKJSIISYGW-MRVPVSSYSA-N -1 1 391.848 1.483 20 0 GDADMM Cc1nsc(NC[C@H]2CCCN2C(=O)C[C@H]2CCCOC2)c1-c1nn[n-]n1 ZINC001571305856 946379009 /nfs/dbraw/zinc/37/90/09/946379009.db2.gz MANCLLAHTVLWPP-CHWSQXEVSA-N -1 1 391.501 1.851 20 0 GDADMM O=C(NC[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1)c1ccnnc1 ZINC001571305866 946379693 /nfs/dbraw/zinc/37/96/93/946379693.db2.gz MIIAYABJZHIZNM-MRVPVSSYSA-N -1 1 391.848 1.023 20 0 GDADMM O=C(NC[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1)c1ccnnc1 ZINC001571305866 946379702 /nfs/dbraw/zinc/37/97/02/946379702.db2.gz MIIAYABJZHIZNM-MRVPVSSYSA-N -1 1 391.848 1.023 20 0 GDADMM Cc1nsc(N2CC[C@H]3[C@@H]2CCCN3C(=O)CC(C)(C)O)c1-c1nn[n-]n1 ZINC001571306205 946390708 /nfs/dbraw/zinc/39/07/08/946390708.db2.gz QRKTTXGDQINKDR-RYUDHWBXSA-N -1 1 391.501 1.362 20 0 GDADMM Cc1nsc(NC[C@H]2CCCCN2C(=O)C2=COCCO2)c1-c1nn[n-]n1 ZINC001571306740 946408970 /nfs/dbraw/zinc/40/89/70/946408970.db2.gz OEWDTLZYCNCFFR-LLVKDONJSA-N -1 1 391.457 1.313 20 0 GDADMM O=C([C@@H]1CCCC(F)(F)C1)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571309411 946444082 /nfs/dbraw/zinc/44/40/82/946444082.db2.gz ZLHFEIHFBHHGTL-VXGBXAGGSA-N -1 1 392.414 1.885 20 0 GDADMM O=C([C@@H]1CCCC(F)(F)C1)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571309411 946444088 /nfs/dbraw/zinc/44/40/88/946444088.db2.gz ZLHFEIHFBHHGTL-VXGBXAGGSA-N -1 1 392.414 1.885 20 0 GDADMM O=C(N1CCC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)C1(C(F)F)CCC1 ZINC001571309890 946457291 /nfs/dbraw/zinc/45/72/91/946457291.db2.gz OJYALXAIPMHOAM-NSHDSACASA-N -1 1 392.414 1.743 20 0 GDADMM O=C(N1CCC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)C1(C(F)F)CCC1 ZINC001571309890 946457298 /nfs/dbraw/zinc/45/72/98/946457298.db2.gz OJYALXAIPMHOAM-NSHDSACASA-N -1 1 392.414 1.743 20 0 GDADMM C[C@@H]1CN(C(=O)c2cccc3c2OCC3)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571310005 946459879 /nfs/dbraw/zinc/45/98/79/946459879.db2.gz RRBGUTWQKZGZFA-IAQYHMDHSA-N -1 1 392.423 1.164 20 0 GDADMM C[C@@H]1CN(C(=O)c2cccc3c2OCC3)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571310005 946459885 /nfs/dbraw/zinc/45/98/85/946459885.db2.gz RRBGUTWQKZGZFA-IAQYHMDHSA-N -1 1 392.423 1.164 20 0 GDADMM O=C(C[C@@H]1CCC(F)(F)C1)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571310256 946465976 /nfs/dbraw/zinc/46/59/76/946465976.db2.gz ZVBOYYHOOKMBEU-LBPRGKRZSA-N -1 1 392.414 1.521 20 0 GDADMM CC(C)Cc1ccc(C(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571310526 946476165 /nfs/dbraw/zinc/47/61/65/946476165.db2.gz IRLRMVXKGIREKF-IYBDPMFKSA-N -1 1 392.467 1.650 20 0 GDADMM CC(C)(C)c1cccc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571310987 946481365 /nfs/dbraw/zinc/48/13/65/946481365.db2.gz OWWBTFSKJJDZDG-HNNXBMFYSA-N -1 1 392.467 1.963 20 0 GDADMM CC(C)(C)c1cccc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571310987 946481372 /nfs/dbraw/zinc/48/13/72/946481372.db2.gz OWWBTFSKJJDZDG-HNNXBMFYSA-N -1 1 392.467 1.963 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)c1ccc2c(c1)CCO2 ZINC001571312468 946494668 /nfs/dbraw/zinc/49/46/68/946494668.db2.gz DXFPYPTYRLLXGO-YEORSEQZSA-N -1 1 392.423 1.212 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)c1ccc2c(c1)CCO2 ZINC001571312468 946494674 /nfs/dbraw/zinc/49/46/74/946494674.db2.gz DXFPYPTYRLLXGO-YEORSEQZSA-N -1 1 392.423 1.212 20 0 GDADMM CCc1nc(N[C@H]2C[C@@H](NC(=O)Cc3cccc(C)c3)C2)cc(-c2nnn[n-]2)n1 ZINC001571313222 946515623 /nfs/dbraw/zinc/51/56/23/946515623.db2.gz KGFWLPHSUGZFJB-GASCZTMLSA-N -1 1 392.467 1.829 20 0 GDADMM CCc1nc(N[C@H]2C[C@@H](NC(=O)Cc3cccc(C)c3)C2)cc(-c2nn[n-]n2)n1 ZINC001571313222 946515632 /nfs/dbraw/zinc/51/56/32/946515632.db2.gz KGFWLPHSUGZFJB-GASCZTMLSA-N -1 1 392.467 1.829 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001571313633 946527447 /nfs/dbraw/zinc/52/74/47/946527447.db2.gz RTVHUNHEQRIGAV-GDBMZVCRSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001571313633 946527455 /nfs/dbraw/zinc/52/74/55/946527455.db2.gz RTVHUNHEQRIGAV-GDBMZVCRSA-N -1 1 392.467 1.888 20 0 GDADMM CC(=O)Nc1cccc2c1CCN(C(=O)Cc1noc(C)c1-c1nnn[n-]1)C2 ZINC000824005369 946541616 /nfs/dbraw/zinc/54/16/16/946541616.db2.gz PKSKAPJHEOPBIX-UHFFFAOYSA-N -1 1 381.396 1.249 20 0 GDADMM CC(=O)Nc1cccc2c1CCN(C(=O)Cc1noc(C)c1-c1nn[n-]n1)C2 ZINC000824005369 946541624 /nfs/dbraw/zinc/54/16/24/946541624.db2.gz PKSKAPJHEOPBIX-UHFFFAOYSA-N -1 1 381.396 1.249 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001571314072 946541807 /nfs/dbraw/zinc/54/18/07/946541807.db2.gz ZROMPUIAPURUEX-HOCLYGCPSA-N -1 1 392.467 1.888 20 0 GDADMM Cc1ccc(CC(=O)N[C@H]2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)CC2)cc1 ZINC001571314884 946544269 /nfs/dbraw/zinc/54/42/69/946544269.db2.gz CSLIMKLEVFDLGB-WKILWMFISA-N -1 1 392.467 1.469 20 0 GDADMM Cc1cc(C)cc(CC(=O)N2CCCN(c3cnc(-c4nnn[n-]4)cn3)CC2)c1 ZINC001571315663 946558293 /nfs/dbraw/zinc/55/82/93/946558293.db2.gz NKXOXKICLNDNQZ-UHFFFAOYSA-N -1 1 392.467 1.555 20 0 GDADMM Cc1cc(C)cc(CC(=O)N2CCCN(c3cnc(-c4nn[n-]n4)cn3)CC2)c1 ZINC001571315663 946558303 /nfs/dbraw/zinc/55/83/03/946558303.db2.gz NKXOXKICLNDNQZ-UHFFFAOYSA-N -1 1 392.467 1.555 20 0 GDADMM O=C(c1cocn1)N1CC[C@H]2CN(c3nc(Cl)c(-c4nnn[n-]4)s3)C[C@H]21 ZINC001571317370 946608364 /nfs/dbraw/zinc/60/83/64/946608364.db2.gz FJRGYEKAPPQVAD-IONNQARKSA-N -1 1 392.832 1.316 20 0 GDADMM O=C(c1cocn1)N1CC[C@H]2CN(c3nc(Cl)c(-c4nn[n-]n4)s3)C[C@H]21 ZINC001571317370 946608376 /nfs/dbraw/zinc/60/83/76/946608376.db2.gz FJRGYEKAPPQVAD-IONNQARKSA-N -1 1 392.832 1.316 20 0 GDADMM O=C(N[C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1csc(-c2nn[n-]n2)c1 ZINC001571317526 946613673 /nfs/dbraw/zinc/61/36/73/946613673.db2.gz LHJOXOIHIQSQKM-MRVPVSSYSA-N -1 1 392.832 1.086 20 0 GDADMM CC(=O)NCc1cccc(C(=O)NCc2cc(F)c(-c3nnn[n-]3)c(F)c2)c1 ZINC001573538643 946773543 /nfs/dbraw/zinc/77/35/43/946773543.db2.gz ZGHMFCLYIJBUQU-UHFFFAOYSA-N -1 1 386.362 1.711 20 0 GDADMM CC(=O)NCc1cccc(C(=O)NCc2cc(F)c(-c3nn[n-]n3)c(F)c2)c1 ZINC001573538643 946773555 /nfs/dbraw/zinc/77/35/55/946773555.db2.gz ZGHMFCLYIJBUQU-UHFFFAOYSA-N -1 1 386.362 1.711 20 0 GDADMM CC(=O)Nc1cccc(CNS(=O)(=O)c2ccsc2-c2nn[n-]n2)c1 ZINC001573547212 946828462 /nfs/dbraw/zinc/82/84/62/946828462.db2.gz XIKJELGHHWXBFS-UHFFFAOYSA-N -1 1 378.439 1.365 20 0 GDADMM CC(=O)Nc1ccc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)cc1Cl ZINC001573547808 946841707 /nfs/dbraw/zinc/84/17/07/946841707.db2.gz VTLKMBLGFGETRJ-UHFFFAOYSA-N -1 1 377.817 1.865 20 0 GDADMM CC(=O)Nc1ccc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)cc1Cl ZINC001573547808 946841713 /nfs/dbraw/zinc/84/17/13/946841713.db2.gz VTLKMBLGFGETRJ-UHFFFAOYSA-N -1 1 377.817 1.865 20 0 GDADMM CC(=O)Nc1ccccc1C(F)(F)C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001573548769 946859071 /nfs/dbraw/zinc/85/90/71/946859071.db2.gz UMVMCMXJGBSXJK-UHFFFAOYSA-N -1 1 387.350 1.975 20 0 GDADMM CC(=O)Nc1ccccc1C(F)(F)C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001573548769 946859079 /nfs/dbraw/zinc/85/90/79/946859079.db2.gz UMVMCMXJGBSXJK-UHFFFAOYSA-N -1 1 387.350 1.975 20 0 GDADMM c1cc(-c2nnn[n-]2)oc1Cn1c(Cc2ccncc2)nnc1N1CC=CCC1 ZINC001573292699 946938690 /nfs/dbraw/zinc/93/86/90/946938690.db2.gz ZRTBVGOCJSOXQL-UHFFFAOYSA-N -1 1 389.423 1.852 20 0 GDADMM c1cc(-c2nn[n-]n2)oc1Cn1c(Cc2ccncc2)nnc1N1CC=CCC1 ZINC001573292699 946938701 /nfs/dbraw/zinc/93/87/01/946938701.db2.gz ZRTBVGOCJSOXQL-UHFFFAOYSA-N -1 1 389.423 1.852 20 0 GDADMM CC(C)(C)c1cc(NC(=O)CN2C(=O)NC(C)(C)C2=O)c(-c2nnn[n-]2)s1 ZINC000824813467 946939177 /nfs/dbraw/zinc/93/91/77/946939177.db2.gz ZFUWKADKNLYVTC-UHFFFAOYSA-N -1 1 391.457 1.495 20 0 GDADMM CC(C)(C)c1cc(NC(=O)CN2C(=O)NC(C)(C)C2=O)c(-c2nn[n-]n2)s1 ZINC000824813467 946939181 /nfs/dbraw/zinc/93/91/81/946939181.db2.gz ZFUWKADKNLYVTC-UHFFFAOYSA-N -1 1 391.457 1.495 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C(C)(C)c1cccnc1 ZINC000824999386 947033312 /nfs/dbraw/zinc/03/33/12/947033312.db2.gz GMUVZVHAMWIJBY-ZDUSSCGKSA-N -1 1 393.455 1.067 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C(C)(C)c1cccnc1 ZINC000824999386 947033318 /nfs/dbraw/zinc/03/33/18/947033318.db2.gz GMUVZVHAMWIJBY-ZDUSSCGKSA-N -1 1 393.455 1.067 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1nc2c(s1)CCC2 ZINC000824998976 947034505 /nfs/dbraw/zinc/03/45/05/947034505.db2.gz BHDHMGSEXXDKEV-LLVKDONJSA-N -1 1 383.485 1.313 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1nc2c(s1)CCC2 ZINC000824998976 947034517 /nfs/dbraw/zinc/03/45/17/947034517.db2.gz BHDHMGSEXXDKEV-LLVKDONJSA-N -1 1 383.485 1.313 20 0 GDADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1ccnc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001573591880 947324249 /nfs/dbraw/zinc/32/42/49/947324249.db2.gz HDHBMLGTELVDGG-JTQLQIEISA-N -1 1 382.419 1.266 20 0 GDADMM C[C@H](C(=O)N(C)C1CCN(c2nccnc2-c2nnn[n-]2)CC1)C(C)(F)F ZINC001573593082 947360665 /nfs/dbraw/zinc/36/06/65/947360665.db2.gz PZLRFQFPSYZLHL-SNVBAGLBSA-N -1 1 380.403 1.375 20 0 GDADMM C[C@H](C(=O)N(C)C1CCN(c2nccnc2-c2nn[n-]n2)CC1)C(C)(F)F ZINC001573593082 947360681 /nfs/dbraw/zinc/36/06/81/947360681.db2.gz PZLRFQFPSYZLHL-SNVBAGLBSA-N -1 1 380.403 1.375 20 0 GDADMM C[C@H](C(=O)N(C)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccsc1 ZINC001573593181 947365199 /nfs/dbraw/zinc/36/51/99/947365199.db2.gz REXROBMNMGUADO-AAEUAGOBSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@H](C(=O)N(C)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccsc1 ZINC001573593181 947365216 /nfs/dbraw/zinc/36/52/16/947365216.db2.gz REXROBMNMGUADO-AAEUAGOBSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@@H](C(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573593358 947369102 /nfs/dbraw/zinc/36/91/02/947369102.db2.gz RWQDQEJUHUFZNJ-VXGBXAGGSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@@H](C(=O)N(C)C1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccsc1 ZINC001573594537 947398486 /nfs/dbraw/zinc/39/84/86/947398486.db2.gz PTKIGRWNYLNPBP-QFWMXSHPSA-N -1 1 384.469 1.345 20 0 GDADMM C[C@H](C(=O)N(C)CCCN(C)c1nccnc1-c1nnn[n-]1)c1ccsc1 ZINC001573599238 947453084 /nfs/dbraw/zinc/45/30/84/947453084.db2.gz WMHOXRPYRSRUDD-LBPRGKRZSA-N -1 1 386.485 1.807 20 0 GDADMM C[C@H](C(=O)N(C)CCCN(C)c1nccnc1-c1nn[n-]n1)c1ccsc1 ZINC001573599238 947453089 /nfs/dbraw/zinc/45/30/89/947453089.db2.gz WMHOXRPYRSRUDD-LBPRGKRZSA-N -1 1 386.485 1.807 20 0 GDADMM C[C@@H](C(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1)c1cccc(Cl)c1 ZINC001573602862 947470656 /nfs/dbraw/zinc/47/06/56/947470656.db2.gz AFPLWMDWLPCSCK-LLVKDONJSA-N -1 1 386.847 1.984 20 0 GDADMM C[C@@H](C(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1)c1cccc(Cl)c1 ZINC001573602862 947470662 /nfs/dbraw/zinc/47/06/62/947470662.db2.gz AFPLWMDWLPCSCK-LLVKDONJSA-N -1 1 386.847 1.984 20 0 GDADMM C[C@@H](C(=O)N(C)c1nc2c(cccc2Cl)s1)n1cnc(-c2nn[n-]n2)n1 ZINC001573602951 947475493 /nfs/dbraw/zinc/47/54/93/947475493.db2.gz CMZMTBCMUBANQC-ZETCQYMHSA-N -1 1 389.832 1.945 20 0 GDADMM C[C@H](C(=O)N(C)CCN(C)c1cnc(-c2nnn[n-]2)cn1)c1ccccc1F ZINC001573602988 947477290 /nfs/dbraw/zinc/47/72/90/947477290.db2.gz IAFFPNMZCQCNGE-LBPRGKRZSA-N -1 1 384.419 1.494 20 0 GDADMM C[C@H](C(=O)N(C)CCN(C)c1cnc(-c2nn[n-]n2)cn1)c1ccccc1F ZINC001573602988 947477313 /nfs/dbraw/zinc/47/73/13/947477313.db2.gz IAFFPNMZCQCNGE-LBPRGKRZSA-N -1 1 384.419 1.494 20 0 GDADMM C[C@@H](C(=O)N(C)c1ccc(Br)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001573603679 947495392 /nfs/dbraw/zinc/49/53/92/947495392.db2.gz JOZRBOLGMLEICW-QMMMGPOBSA-N -1 1 377.206 1.445 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)C(C)(F)F ZINC001573613711 947569559 /nfs/dbraw/zinc/56/95/59/947569559.db2.gz GYQAKZWCXUUJDO-SDDRHHMPSA-N -1 1 392.414 1.518 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)C(C)(F)F ZINC001573613711 947569565 /nfs/dbraw/zinc/56/95/65/947569565.db2.gz GYQAKZWCXUUJDO-SDDRHHMPSA-N -1 1 392.414 1.518 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1)C(C)(F)F ZINC001573614469 947585131 /nfs/dbraw/zinc/58/51/31/947585131.db2.gz FUKRGQYKHUVTLY-QWRGUYRKSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1)C(C)(F)F ZINC001573614469 947585147 /nfs/dbraw/zinc/58/51/47/947585147.db2.gz FUKRGQYKHUVTLY-QWRGUYRKSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)c1cccnc1 ZINC001573614527 947587767 /nfs/dbraw/zinc/58/77/67/947587767.db2.gz MSRFJOPRAYCJOH-YUELXQCFSA-N -1 1 391.439 1.035 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)c1cccnc1 ZINC001573614527 947587779 /nfs/dbraw/zinc/58/77/79/947587779.db2.gz MSRFJOPRAYCJOH-YUELXQCFSA-N -1 1 391.439 1.035 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1)C(C)(F)F ZINC001573615149 947600526 /nfs/dbraw/zinc/60/05/26/947600526.db2.gz HZJWIZRVWQJVQI-QWRGUYRKSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1)C(C)(F)F ZINC001573615149 947600531 /nfs/dbraw/zinc/60/05/31/947600531.db2.gz HZJWIZRVWQJVQI-QWRGUYRKSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H](C(=O)N1CCC(N(C)c2nccnc2-c2nnn[n-]2)CC1)C(C)(F)F ZINC001573616357 947622084 /nfs/dbraw/zinc/62/20/84/947622084.db2.gz IERKJIUHVHPWCJ-SNVBAGLBSA-N -1 1 380.403 1.375 20 0 GDADMM C[C@H](C(=O)N1CCC(N(C)c2nccnc2-c2nn[n-]n2)CC1)C(C)(F)F ZINC001573616357 947622090 /nfs/dbraw/zinc/62/20/90/947622090.db2.gz IERKJIUHVHPWCJ-SNVBAGLBSA-N -1 1 380.403 1.375 20 0 GDADMM C[C@H](C(=O)N1CCC(C)(Nc2nccnc2-c2nnn[n-]2)CC1)[C@@H]1CCCO1 ZINC001573616710 947627587 /nfs/dbraw/zinc/62/75/87/947627587.db2.gz NAXYDUUMBPPAKQ-STQMWFEESA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H](C(=O)N1CCC(C)(Nc2nccnc2-c2nn[n-]n2)CC1)[C@@H]1CCCO1 ZINC001573616710 947627592 /nfs/dbraw/zinc/62/75/92/947627592.db2.gz NAXYDUUMBPPAKQ-STQMWFEESA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CN(C)c2cncc(-c3nnn[n-]3)n2)C1)C1CCCC1 ZINC001573617287 947633653 /nfs/dbraw/zinc/63/36/53/947633653.db2.gz OOPQFFDUBGMJLD-KGLIPLIRSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CN(C)c2cncc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573617287 947633660 /nfs/dbraw/zinc/63/36/60/947633660.db2.gz OOPQFFDUBGMJLD-KGLIPLIRSA-N -1 1 384.488 1.768 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@@H]2[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]32)cc1 ZINC001573354543 947634597 /nfs/dbraw/zinc/63/45/97/947634597.db2.gz CKEFGFTWLXXRRF-PHZGNYQRSA-N -1 1 388.435 1.412 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@@H]2[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]32)cc1 ZINC001573354543 947634604 /nfs/dbraw/zinc/63/46/04/947634604.db2.gz CKEFGFTWLXXRRF-PHZGNYQRSA-N -1 1 388.435 1.412 20 0 GDADMM C[C@@H](C(=O)N1CCC(C)(Nc2ccnc(-c3nn[n-]n3)n2)CC1)C1CCCC1 ZINC001573617878 947643163 /nfs/dbraw/zinc/64/31/63/947643163.db2.gz QAOLNRYBBNKBDA-CYBMUJFWSA-N -1 1 384.488 1.698 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C2CC2)cc1 ZINC001573355384 947643747 /nfs/dbraw/zinc/64/37/47/947643747.db2.gz OSZYWZMNICBDKJ-INIZCTEOSA-N -1 1 376.424 1.920 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C2CC2)cc1 ZINC001573355384 947643750 /nfs/dbraw/zinc/64/37/50/947643750.db2.gz OSZYWZMNICBDKJ-INIZCTEOSA-N -1 1 376.424 1.920 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001573619865 947672347 /nfs/dbraw/zinc/67/23/47/947672347.db2.gz XDSPSKYPPGZWKA-KGLIPLIRSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001573619865 947672351 /nfs/dbraw/zinc/67/23/51/947672351.db2.gz XDSPSKYPPGZWKA-KGLIPLIRSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001573620125 947676379 /nfs/dbraw/zinc/67/63/79/947676379.db2.gz XVXNQELJGIADBU-UWVGGRQHSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001573620125 947676383 /nfs/dbraw/zinc/67/63/83/947676383.db2.gz XVXNQELJGIADBU-UWVGGRQHSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573627500 947725284 /nfs/dbraw/zinc/72/52/84/947725284.db2.gz CQXPYWQPPWPFQB-DZGCQCFKSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1)c1ccco1 ZINC001573627850 947736910 /nfs/dbraw/zinc/73/69/10/947736910.db2.gz FXMQJLQFLWMHCX-QWHCGFSZSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1)c1ccco1 ZINC001573627850 947736920 /nfs/dbraw/zinc/73/69/20/947736920.db2.gz FXMQJLQFLWMHCX-QWHCGFSZSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1)c1cccnc1 ZINC001573628052 947742895 /nfs/dbraw/zinc/74/28/95/947742895.db2.gz HRHMELARWDRGBU-TZMCWYRMSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001573628052 947742905 /nfs/dbraw/zinc/74/29/05/947742905.db2.gz HRHMELARWDRGBU-TZMCWYRMSA-N -1 1 379.428 1.258 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@H](CN(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573372965 947785676 /nfs/dbraw/zinc/78/56/76/947785676.db2.gz GONPKTWNHRAUJB-CQSZACIVSA-N -1 1 386.460 1.091 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@H]1[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573372922 947786492 /nfs/dbraw/zinc/78/64/92/947786492.db2.gz GAXGMWMCQREHIX-ZFWWWQNUSA-N -1 1 386.460 1.598 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@H]1[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573372922 947786494 /nfs/dbraw/zinc/78/64/94/947786494.db2.gz GAXGMWMCQREHIX-ZFWWWQNUSA-N -1 1 386.460 1.598 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001573630511 947792178 /nfs/dbraw/zinc/79/21/78/947792178.db2.gz YJQUOLDXSJGASW-MNOVXSKESA-N -1 1 380.403 1.375 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001573631505 947802935 /nfs/dbraw/zinc/80/29/35/947802935.db2.gz VPQPHMFUJXGNJE-KGLIPLIRSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001573631505 947802944 /nfs/dbraw/zinc/80/29/44/947802944.db2.gz VPQPHMFUJXGNJE-KGLIPLIRSA-N -1 1 381.444 1.147 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@@H]1[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573374532 947809185 /nfs/dbraw/zinc/80/91/85/947809185.db2.gz NUXXYLBCQXQOES-UKRRQHHQSA-N -1 1 386.460 1.598 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@@H]1[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573374532 947809194 /nfs/dbraw/zinc/80/91/94/947809194.db2.gz NUXXYLBCQXQOES-UKRRQHHQSA-N -1 1 386.460 1.598 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001573375235 947818189 /nfs/dbraw/zinc/81/81/89/947818189.db2.gz RVJVKGCWCHCVQD-GXTWGEPZSA-N -1 1 386.460 1.313 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001573375235 947818196 /nfs/dbraw/zinc/81/81/96/947818196.db2.gz RVJVKGCWCHCVQD-GXTWGEPZSA-N -1 1 386.460 1.313 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CC[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573376514 947839099 /nfs/dbraw/zinc/83/90/99/947839099.db2.gz WFJPAORYYZXTIE-ZIAGYGMSSA-N -1 1 386.460 1.421 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CC[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573376514 947839103 /nfs/dbraw/zinc/83/91/03/947839103.db2.gz WFJPAORYYZXTIE-ZIAGYGMSSA-N -1 1 386.460 1.421 20 0 GDADMM CC(=O)CCCC(=O)NC[C@@H](Nc1snc(C)c1-c1nn[n-]n1)C1CC1 ZINC001573380508 947859022 /nfs/dbraw/zinc/85/90/22/947859022.db2.gz DNBCSVDXRIDENF-GFCCVEGCSA-N -1 1 377.474 1.698 20 0 GDADMM C[C@@H](C(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)c1cccc(F)c1 ZINC001573644112 947867621 /nfs/dbraw/zinc/86/76/21/947867621.db2.gz YVRIGJQAWHFSOU-GFCCVEGCSA-N -1 1 382.403 1.248 20 0 GDADMM C[C@@H](C(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)c1cccc(F)c1 ZINC001573644112 947867626 /nfs/dbraw/zinc/86/76/26/947867626.db2.gz YVRIGJQAWHFSOU-GFCCVEGCSA-N -1 1 382.403 1.248 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(CNc2ccc(-c3nnn[n-]3)nn2)C1)C1CC1 ZINC001573647074 947882097 /nfs/dbraw/zinc/88/20/97/947882097.db2.gz BMETZAKRVFSWEC-UHYGZKCKSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(CNc2ccc(-c3nn[n-]n3)nn2)C1)C1CC1 ZINC001573647074 947882106 /nfs/dbraw/zinc/88/21/06/947882106.db2.gz BMETZAKRVFSWEC-UHYGZKCKSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C(C)(C)C)n1cccn1 ZINC001573652032 947926910 /nfs/dbraw/zinc/92/69/10/947926910.db2.gz AALRDZQMYUTLKB-AAEUAGOBSA-N -1 1 384.448 1.057 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C(C)(C)C)n1cccn1 ZINC001573652032 947926915 /nfs/dbraw/zinc/92/69/15/947926915.db2.gz AALRDZQMYUTLKB-AAEUAGOBSA-N -1 1 384.448 1.057 20 0 GDADMM Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000826319808 947935167 /nfs/dbraw/zinc/93/51/67/947935167.db2.gz UCABKSQMNYEING-UHFFFAOYSA-N -1 1 389.379 1.107 20 0 GDADMM Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000826319808 947935173 /nfs/dbraw/zinc/93/51/73/947935173.db2.gz UCABKSQMNYEING-UHFFFAOYSA-N -1 1 389.379 1.107 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C(C)(C)C)C(F)(F)F ZINC001573652632 947944412 /nfs/dbraw/zinc/94/44/12/947944412.db2.gz FORFKHZNASNFNP-PSASIEDQSA-N -1 1 386.382 1.798 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C(C)(C)C)C(F)(F)F ZINC001573652632 947944416 /nfs/dbraw/zinc/94/44/16/947944416.db2.gz FORFKHZNASNFNP-PSASIEDQSA-N -1 1 386.382 1.798 20 0 GDADMM C[C@H](C(=O)N[C@@](C)(CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)n1cccc1 ZINC001573654297 947965591 /nfs/dbraw/zinc/96/55/91/947965591.db2.gz QRYSXCWYBFDURH-XIKOKIGWSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](C(=O)N[C@@](C)(CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)n1cccc1 ZINC001573654297 947965602 /nfs/dbraw/zinc/96/56/02/947965602.db2.gz QRYSXCWYBFDURH-XIKOKIGWSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)c1cccnc1 ZINC001573655358 947977276 /nfs/dbraw/zinc/97/72/76/947977276.db2.gz WYWDEBLSVIEZEK-ABAIWWIYSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)c1cccnc1 ZINC001573655358 947977284 /nfs/dbraw/zinc/97/72/84/947977284.db2.gz WYWDEBLSVIEZEK-ABAIWWIYSA-N -1 1 379.428 1.162 20 0 GDADMM Cc1onc(CC(=O)N2CCC(Oc3ccc(F)cc3)CC2)c1-c1nnn[n-]1 ZINC000826343724 947995421 /nfs/dbraw/zinc/99/54/21/947995421.db2.gz LFFBYNYCDOBAJW-UHFFFAOYSA-N -1 1 386.387 1.915 20 0 GDADMM Cc1onc(CC(=O)N2CCC(Oc3ccc(F)cc3)CC2)c1-c1nn[n-]n1 ZINC000826343724 947995426 /nfs/dbraw/zinc/99/54/26/947995426.db2.gz LFFBYNYCDOBAJW-UHFFFAOYSA-N -1 1 386.387 1.915 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c1-c1nnn[n-]1 ZINC000826344666 948011030 /nfs/dbraw/zinc/01/10/30/948011030.db2.gz OCEOMPVTUPNDMC-AWEZNQCLSA-N -1 1 396.407 1.841 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c1-c1nn[n-]n1 ZINC000826344666 948011038 /nfs/dbraw/zinc/01/10/38/948011038.db2.gz OCEOMPVTUPNDMC-AWEZNQCLSA-N -1 1 396.407 1.841 20 0 GDADMM Cc1onc(CC(=O)N2CCN([C@H](C)c3cccnc3)CC2)c1-c1nn[n-]n1 ZINC000826344664 948012735 /nfs/dbraw/zinc/01/27/35/948012735.db2.gz OBKIERUOALDTFJ-GFCCVEGCSA-N -1 1 382.428 1.006 20 0 GDADMM C[C@@H](C(=O)NC1(C)CCN(c2nccnc2-c2nnn[n-]2)CC1)c1ccco1 ZINC001573660346 948020815 /nfs/dbraw/zinc/02/08/15/948020815.db2.gz ZLKATHXDPLLWIV-GFCCVEGCSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](C(=O)NC1(C)CCN(c2nccnc2-c2nn[n-]n2)CC1)c1ccco1 ZINC001573660346 948020822 /nfs/dbraw/zinc/02/08/22/948020822.db2.gz ZLKATHXDPLLWIV-GFCCVEGCSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2)C(C)(C)C ZINC001573661773 948021009 /nfs/dbraw/zinc/02/10/09/948021009.db2.gz AGCKMPALAIPXTQ-JSGCOSHPSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2)C(C)(C)C ZINC001573661773 948021017 /nfs/dbraw/zinc/02/10/17/948021017.db2.gz AGCKMPALAIPXTQ-JSGCOSHPSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nn1)CC2)C1CCC1 ZINC001573664236 948051373 /nfs/dbraw/zinc/05/13/73/948051373.db2.gz SDQMDFFLEIJWRZ-DOMZBBRYSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nn1)CC2)C1CCC1 ZINC001573664236 948051381 /nfs/dbraw/zinc/05/13/81/948051381.db2.gz SDQMDFFLEIJWRZ-DOMZBBRYSA-N -1 1 382.472 1.568 20 0 GDADMM Cc1onc(CC(=O)NCCN(C(=O)OC(C)(C)C)C2CC2)c1-c1nnn[n-]1 ZINC000826347451 948052494 /nfs/dbraw/zinc/05/24/94/948052494.db2.gz RNJAYNUGDUNAJZ-UHFFFAOYSA-N -1 1 391.432 1.221 20 0 GDADMM Cc1onc(CC(=O)NCCN(C(=O)OC(C)(C)C)C2CC2)c1-c1nn[n-]n1 ZINC000826347451 948052501 /nfs/dbraw/zinc/05/25/01/948052501.db2.gz RNJAYNUGDUNAJZ-UHFFFAOYSA-N -1 1 391.432 1.221 20 0 GDADMM Cc1onc(CC(=O)NC[C@H](O)c2c(Cl)cccc2Cl)c1-c1nnn[n-]1 ZINC000826347461 948054397 /nfs/dbraw/zinc/05/43/97/948054397.db2.gz RXQWXTRMDPWVSA-NSHDSACASA-N -1 1 397.222 1.862 20 0 GDADMM Cc1onc(CC(=O)NC[C@H](O)c2c(Cl)cccc2Cl)c1-c1nn[n-]n1 ZINC000826347461 948054403 /nfs/dbraw/zinc/05/44/03/948054403.db2.gz RXQWXTRMDPWVSA-NSHDSACASA-N -1 1 397.222 1.862 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C(C)(F)F ZINC001573665529 948075807 /nfs/dbraw/zinc/07/58/07/948075807.db2.gz LYCPAWGQQPMPJN-QWRGUYRKSA-N -1 1 380.403 1.423 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)c1-c1nnn[n-]1 ZINC000826348675 948081100 /nfs/dbraw/zinc/08/11/00/948081100.db2.gz YJOJZUVDSSDFLP-AWEZNQCLSA-N -1 1 397.395 1.462 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)c1-c1nn[n-]n1 ZINC000826348675 948081110 /nfs/dbraw/zinc/08/11/10/948081110.db2.gz YJOJZUVDSSDFLP-AWEZNQCLSA-N -1 1 397.395 1.462 20 0 GDADMM Cn1cc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c(-c2ccccc2)n1 ZINC000826356853 948111457 /nfs/dbraw/zinc/11/14/57/948111457.db2.gz IJMSQXSAGNXBDI-UHFFFAOYSA-N -1 1 378.400 1.322 20 0 GDADMM Cn1cc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c(-c2ccccc2)n1 ZINC000826356853 948111462 /nfs/dbraw/zinc/11/14/62/948111462.db2.gz IJMSQXSAGNXBDI-UHFFFAOYSA-N -1 1 378.400 1.322 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC1(C)C)c1ccco1 ZINC001573676972 948130289 /nfs/dbraw/zinc/13/02/89/948130289.db2.gz BNDHZLMDTXBGDO-WCQYABFASA-N -1 1 382.428 1.384 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC1(C)C)c1ccco1 ZINC001573676972 948130291 /nfs/dbraw/zinc/13/02/91/948130291.db2.gz BNDHZLMDTXBGDO-WCQYABFASA-N -1 1 382.428 1.384 20 0 GDADMM C[C@H](C(=O)N[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C)c1ccco1 ZINC001573680568 948182921 /nfs/dbraw/zinc/18/29/21/948182921.db2.gz QZLYHUUQLADHBU-FZMZJTMJSA-N -1 1 382.428 1.384 20 0 GDADMM C[C@H](C(=O)N[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C)c1ccco1 ZINC001573680568 948182929 /nfs/dbraw/zinc/18/29/29/948182929.db2.gz QZLYHUUQLADHBU-FZMZJTMJSA-N -1 1 382.428 1.384 20 0 GDADMM CC(C)[C@H](CNC(=O)[C@@H](C)c1ccsc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573680656 948184018 /nfs/dbraw/zinc/18/40/18/948184018.db2.gz PCUZUIIZYPRDOO-AAEUAGOBSA-N -1 1 386.485 1.497 20 0 GDADMM CC(=O)N1CCC([C@H]2C[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)CCO2)CC1 ZINC001573432136 948186133 /nfs/dbraw/zinc/18/61/33/948186133.db2.gz FDNYRPGQOHBQCG-GDBMZVCRSA-N -1 1 386.460 1.183 20 0 GDADMM CC(=O)N1CCC([C@H]2C[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)CCO2)CC1 ZINC001573432136 948186142 /nfs/dbraw/zinc/18/61/42/948186142.db2.gz FDNYRPGQOHBQCG-GDBMZVCRSA-N -1 1 386.460 1.183 20 0 GDADMM C[C@H](CNC(=O)[C@@H](C)c1cccc(F)c1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001573680916 948191409 /nfs/dbraw/zinc/19/14/09/948191409.db2.gz SJHBTEQLQXRVSX-NEPJUHHUSA-N -1 1 384.419 1.540 20 0 GDADMM C[C@H](CNC(=O)[C@@H](C)c1cccc(F)c1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001573680916 948191417 /nfs/dbraw/zinc/19/14/17/948191417.db2.gz SJHBTEQLQXRVSX-NEPJUHHUSA-N -1 1 384.419 1.540 20 0 GDADMM C[C@@H](C(=O)NC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)c1ccccc1)C1CC1 ZINC001573681291 948200103 /nfs/dbraw/zinc/20/01/03/948200103.db2.gz UMUKAUFYQGFCOG-IUODEOHRSA-N -1 1 378.440 1.394 20 0 GDADMM CC(=O)N1CC[C@H](NC(=O)Nc2cccc(-c3nnn[n-]3)n2)c2ccccc21 ZINC001573434494 948215699 /nfs/dbraw/zinc/21/56/99/948215699.db2.gz STLQGQRHKOTVCS-ZDUSSCGKSA-N -1 1 378.396 1.881 20 0 GDADMM CC(=O)N1CC[C@H](NC(=O)Nc2cccc(-c3nn[n-]n3)n2)c2ccccc21 ZINC001573434494 948215704 /nfs/dbraw/zinc/21/57/04/948215704.db2.gz STLQGQRHKOTVCS-ZDUSSCGKSA-N -1 1 378.396 1.881 20 0 GDADMM C[C@H](C(=O)NC[C@H](O)CNc1nc(-c2nn[n-]n2)c(Cl)s1)C1CCC1 ZINC001573690617 948226883 /nfs/dbraw/zinc/22/68/83/948226883.db2.gz FKRCGBRFJWMZRQ-CBAPKCEASA-N -1 1 385.881 1.302 20 0 GDADMM CC(=O)NCCN(C(=O)c1cc(-c2cccc(Cl)c2)[nH]n1)[C@@H](C)C(=O)[O-] ZINC001602755656 971464673 /nfs/dbraw/zinc/46/46/73/971464673.db2.gz GTGOFMDHSZLOAV-JTQLQIEISA-N -1 1 378.816 1.782 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1)c1ccccc1F ZINC001573692528 948268294 /nfs/dbraw/zinc/26/82/94/948268294.db2.gz QJZKTDAJXYBEHJ-LLVKDONJSA-N -1 1 382.403 1.660 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1)c1ccccc1F ZINC001573692528 948268305 /nfs/dbraw/zinc/26/83/05/948268305.db2.gz QJZKTDAJXYBEHJ-LLVKDONJSA-N -1 1 382.403 1.660 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccco1 ZINC001573702271 948344651 /nfs/dbraw/zinc/34/46/51/948344651.db2.gz CZTJFVGEBFJDAS-CHWSQXEVSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001573702271 948344657 /nfs/dbraw/zinc/34/46/57/948344657.db2.gz CZTJFVGEBFJDAS-CHWSQXEVSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCC(C)(C)CN1c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573702917 948350165 /nfs/dbraw/zinc/35/01/65/948350165.db2.gz HNMIGZFECQVYQN-OCCSQVGLSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCCN1c1nccnc1-c1nnn[n-]1)n1cccc1 ZINC001573704098 948363517 /nfs/dbraw/zinc/36/35/17/948363517.db2.gz OZLCFLGFYLDQLN-UONOGXRCSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCCN1c1nccnc1-c1nn[n-]n1)n1cccc1 ZINC001573704098 948363521 /nfs/dbraw/zinc/36/35/21/948363521.db2.gz OZLCFLGFYLDQLN-UONOGXRCSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)c1cccs1 ZINC001573704080 948364938 /nfs/dbraw/zinc/36/49/38/948364938.db2.gz OTXDLCSUGQIELY-NEPJUHHUSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001573704450 948373271 /nfs/dbraw/zinc/37/32/71/948373271.db2.gz SMQRLMRGTQOMGK-NXEZZACHSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001573704450 948373276 /nfs/dbraw/zinc/37/32/76/948373276.db2.gz SMQRLMRGTQOMGK-NXEZZACHSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@H](C(=O)NCC1CCN(c2nccnc2-c2nnn[n-]2)CC1)c1ccco1 ZINC001573705273 948395707 /nfs/dbraw/zinc/39/57/07/948395707.db2.gz GWJYUWJKPBUXIE-GFCCVEGCSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@@H](C(=O)NCC1CCN(c2nccnc2-c2nn[n-]n2)CC1)c1ccco1 ZINC001573705273 948395710 /nfs/dbraw/zinc/39/57/10/948395710.db2.gz GWJYUWJKPBUXIE-GFCCVEGCSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1)C(C)(C)C ZINC001573707510 948436122 /nfs/dbraw/zinc/43/61/22/948436122.db2.gz OBYJNSMKLKPCDI-CHWSQXEVSA-N -1 1 392.529 1.927 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCCO1)C(C)(C)C ZINC001573707863 948438871 /nfs/dbraw/zinc/43/88/71/948438871.db2.gz QEGQHAYJOHEDSG-QWHCGFSZSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCCO1)C(C)(C)C ZINC001573707863 948438875 /nfs/dbraw/zinc/43/88/75/948438875.db2.gz QEGQHAYJOHEDSG-QWHCGFSZSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccsc1 ZINC001573708430 948450364 /nfs/dbraw/zinc/45/03/64/948450364.db2.gz VFNUIWDUUZMVDO-VXGBXAGGSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@@H](C(=O)NCC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001573715209 948485593 /nfs/dbraw/zinc/48/55/93/948485593.db2.gz RAZROHNLGLXHHW-CHWSQXEVSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@@H](C(=O)NCC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001573715209 948485597 /nfs/dbraw/zinc/48/55/97/948485597.db2.gz RAZROHNLGLXHHW-CHWSQXEVSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@@H](C(=O)NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1)c1cccs1 ZINC001573720197 948532053 /nfs/dbraw/zinc/53/20/53/948532053.db2.gz PWBRRSNEEZFRBP-LLVKDONJSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1)c1cccs1 ZINC001573720197 948532061 /nfs/dbraw/zinc/53/20/61/948532061.db2.gz PWBRRSNEEZFRBP-LLVKDONJSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1)c1ccc(F)c(F)c1 ZINC001573720710 948534701 /nfs/dbraw/zinc/53/47/01/948534701.db2.gz SAKMMTNLLSUSDD-SNVBAGLBSA-N -1 1 388.382 1.291 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1cnc(-c2nn[n-]n2)cn1)c1ccc(F)c(F)c1 ZINC001573720710 948534705 /nfs/dbraw/zinc/53/47/05/948534705.db2.gz SAKMMTNLLSUSDD-SNVBAGLBSA-N -1 1 388.382 1.291 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)C1CCCC1 ZINC001573725578 948543028 /nfs/dbraw/zinc/54/30/28/948543028.db2.gz BNBRELLKPILFAH-VNHYZAJKSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)C1CCCC1 ZINC001573725578 948543034 /nfs/dbraw/zinc/54/30/34/948543034.db2.gz BNBRELLKPILFAH-VNHYZAJKSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001573725622 948546097 /nfs/dbraw/zinc/54/60/97/948546097.db2.gz CLGOFCUKJQJZPE-MELADBBJSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001573725622 948546104 /nfs/dbraw/zinc/54/61/04/948546104.db2.gz CLGOFCUKJQJZPE-MELADBBJSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccco1 ZINC001573728117 948559470 /nfs/dbraw/zinc/55/94/70/948559470.db2.gz PFEHPDYTMLFCKG-FRRDWIJNSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccco1 ZINC001573728117 948559476 /nfs/dbraw/zinc/55/94/76/948559476.db2.gz PFEHPDYTMLFCKG-FRRDWIJNSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccco1 ZINC001573728121 948559988 /nfs/dbraw/zinc/55/99/88/948559988.db2.gz PFEHPDYTMLFCKG-RWMBFGLXSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccco1 ZINC001573728121 948559994 /nfs/dbraw/zinc/55/99/94/948559994.db2.gz PFEHPDYTMLFCKG-RWMBFGLXSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001573728636 948562035 /nfs/dbraw/zinc/56/20/35/948562035.db2.gz QCYOCZNIQIQWGU-MELADBBJSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001573728636 948562044 /nfs/dbraw/zinc/56/20/44/948562044.db2.gz QCYOCZNIQIQWGU-MELADBBJSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C)C1CCCC1 ZINC001573730143 948577967 /nfs/dbraw/zinc/57/79/67/948577967.db2.gz YPIYRJLVXFICCC-VNHYZAJKSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C)C1CCCC1 ZINC001573730143 948577972 /nfs/dbraw/zinc/57/79/72/948577972.db2.gz YPIYRJLVXFICCC-VNHYZAJKSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@@H](C(=O)NCc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1)C1CC1 ZINC001573730583 948582463 /nfs/dbraw/zinc/58/24/63/948582463.db2.gz RSFNGHZLHUXKFS-GFCCVEGCSA-N -1 1 378.440 1.931 20 0 GDADMM C[C@@H](C(=O)NCc1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cc1)C1CC1 ZINC001573730583 948582469 /nfs/dbraw/zinc/58/24/69/948582469.db2.gz RSFNGHZLHUXKFS-GFCCVEGCSA-N -1 1 378.440 1.931 20 0 GDADMM C[C@H](C(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001573740871 948644780 /nfs/dbraw/zinc/64/47/80/948644780.db2.gz UMJLTCCPKHCSCJ-IUIKQTSFSA-N -1 1 390.451 1.897 20 0 GDADMM C[C@H](C(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001573740871 948644781 /nfs/dbraw/zinc/64/47/81/948644781.db2.gz UMJLTCCPKHCSCJ-IUIKQTSFSA-N -1 1 390.451 1.897 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CC1)C(F)(F)F ZINC001573746942 948687953 /nfs/dbraw/zinc/68/79/53/948687953.db2.gz RRJTXMFQZNTKDP-OPRDCNLKSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CC1)C(F)(F)F ZINC001573746942 948687958 /nfs/dbraw/zinc/68/79/58/948687958.db2.gz RRJTXMFQZNTKDP-OPRDCNLKSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CC1)C(F)(F)F ZINC001573747477 948690860 /nfs/dbraw/zinc/69/08/60/948690860.db2.gz VGNYTYAQVZBHLM-GUBZILKMSA-N -1 1 384.366 1.116 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1)C(F)(F)F ZINC001573751965 948709634 /nfs/dbraw/zinc/70/96/34/948709634.db2.gz ITYJLYIXRFJXMY-JXUBOQSCSA-N -1 1 382.350 1.081 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1)C(F)(F)F ZINC001573751965 948709640 /nfs/dbraw/zinc/70/96/40/948709640.db2.gz ITYJLYIXRFJXMY-JXUBOQSCSA-N -1 1 382.350 1.081 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cccc(F)c1 ZINC001573752982 948716425 /nfs/dbraw/zinc/71/64/25/948716425.db2.gz PXEBCDKNSQFVCS-LERXQTSPSA-N -1 1 382.403 1.081 20 0 GDADMM CC(C)c1ccc(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)nn3)CC2)nc1 ZINC001574416364 948746594 /nfs/dbraw/zinc/74/65/94/948746594.db2.gz SBAYHDCLOLATAL-UHFFFAOYSA-N -1 1 379.428 1.550 20 0 GDADMM CC(C)c1ccc(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)nn3)CC2)nc1 ZINC001574416364 948746607 /nfs/dbraw/zinc/74/66/07/948746607.db2.gz SBAYHDCLOLATAL-UHFFFAOYSA-N -1 1 379.428 1.550 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cc(Cl)cs1 ZINC001574678438 948749056 /nfs/dbraw/zinc/74/90/56/948749056.db2.gz FTMQZLPZEOPVMF-MRVPVSSYSA-N -1 1 378.849 1.992 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cc(Cl)cs1 ZINC001574678438 948749064 /nfs/dbraw/zinc/74/90/64/948749064.db2.gz FTMQZLPZEOPVMF-MRVPVSSYSA-N -1 1 378.849 1.992 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccc2c(c1)COC2 ZINC001574678618 948751443 /nfs/dbraw/zinc/75/14/43/948751443.db2.gz HPSNFHKCEJQAIR-LLVKDONJSA-N -1 1 380.412 1.307 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccc2c(c1)COC2 ZINC001574678618 948751453 /nfs/dbraw/zinc/75/14/53/948751453.db2.gz HPSNFHKCEJQAIR-LLVKDONJSA-N -1 1 380.412 1.307 20 0 GDADMM CC(F)(F)C1(C(=O)NCCN(c2ccc(-c3nnn[n-]3)nn2)C2CC2)CC1 ZINC001575222791 948757275 /nfs/dbraw/zinc/75/72/75/948757275.db2.gz KGRYNKKDPQACSM-UHFFFAOYSA-N -1 1 378.387 1.177 20 0 GDADMM CC(F)(F)C1(C(=O)NCCN(c2ccc(-c3nn[n-]n3)nn2)C2CC2)CC1 ZINC001575222791 948757280 /nfs/dbraw/zinc/75/72/80/948757280.db2.gz KGRYNKKDPQACSM-UHFFFAOYSA-N -1 1 378.387 1.177 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001574416717 948760700 /nfs/dbraw/zinc/76/07/00/948760700.db2.gz FCEIKNLBYFPQLH-HNNXBMFYSA-N -1 1 378.440 1.789 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001574416717 948760713 /nfs/dbraw/zinc/76/07/13/948760713.db2.gz FCEIKNLBYFPQLH-HNNXBMFYSA-N -1 1 378.440 1.789 20 0 GDADMM CC(C)c1cccc(C(=O)NC2CC(CNc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001574417165 948767002 /nfs/dbraw/zinc/76/70/02/948767002.db2.gz MUFUCIHYYAHCFV-UHFFFAOYSA-N -1 1 392.467 1.823 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1onc2c1CCCC2 ZINC001574679125 948767601 /nfs/dbraw/zinc/76/76/01/948767601.db2.gz OCHUEXSBRPNRKR-SNVBAGLBSA-N -1 1 383.416 1.144 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1onc2c1CCCC2 ZINC001574679125 948767611 /nfs/dbraw/zinc/76/76/11/948767611.db2.gz OCHUEXSBRPNRKR-SNVBAGLBSA-N -1 1 383.416 1.144 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccc2cccnc2n1 ZINC001574679268 948775364 /nfs/dbraw/zinc/77/53/64/948775364.db2.gz RLQGUEVBVIBFJM-LLVKDONJSA-N -1 1 390.411 1.220 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccc2cccnc2n1 ZINC001574679268 948775371 /nfs/dbraw/zinc/77/53/71/948775371.db2.gz RLQGUEVBVIBFJM-LLVKDONJSA-N -1 1 390.411 1.220 20 0 GDADMM C[C@H](CNC(=O)CCc1ccon1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574916531 948777712 /nfs/dbraw/zinc/77/77/12/948777712.db2.gz CSDPGJCRSYRYON-SSDOTTSWSA-N -1 1 382.837 1.514 20 0 GDADMM C[C@H](CNC(=O)CCc1ccon1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574916531 948777722 /nfs/dbraw/zinc/77/77/22/948777722.db2.gz CSDPGJCRSYRYON-SSDOTTSWSA-N -1 1 382.837 1.514 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C12CCC2 ZINC001575224252 948780811 /nfs/dbraw/zinc/78/08/11/948780811.db2.gz KZNDZRWHYZGMNH-GHMZBOCLSA-N -1 1 378.387 1.541 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C12CCC2 ZINC001575224252 948780820 /nfs/dbraw/zinc/78/08/20/948780820.db2.gz KZNDZRWHYZGMNH-GHMZBOCLSA-N -1 1 378.387 1.541 20 0 GDADMM CC(C)[C@@H](F)C(=O)N[C@H](C)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574080378 948790781 /nfs/dbraw/zinc/79/07/81/948790781.db2.gz QBKQKXMTUFAGIQ-BXUZGUMPSA-N -1 1 376.440 1.372 20 0 GDADMM C[C@H](C(=O)Nc1cc2n[nH]cc2c(C(F)(F)F)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001573756169 948803201 /nfs/dbraw/zinc/80/32/01/948803201.db2.gz MTZYQKYWABEZNI-ZCFIWIBFSA-N -1 1 392.305 1.553 20 0 GDADMM CC(F)(F)CC(=O)N1C[C@@H]2CCC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@@H]2C1 ZINC001575226600 948821350 /nfs/dbraw/zinc/82/13/50/948821350.db2.gz NWRFFSXHRXTOQW-TUAOUCFPSA-N -1 1 392.414 1.741 20 0 GDADMM CC(F)(F)CC(=O)N1C[C@@H]2CCC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@@H]2C1 ZINC001575226600 948821369 /nfs/dbraw/zinc/82/13/69/948821369.db2.gz NWRFFSXHRXTOQW-TUAOUCFPSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)c1cccs1 ZINC001573756856 948824821 /nfs/dbraw/zinc/82/48/21/948824821.db2.gz UQCIFULJURHMAF-KIGUWFBYSA-N -1 1 382.453 1.073 20 0 GDADMM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)c1cccs1 ZINC001573756856 948824839 /nfs/dbraw/zinc/82/48/39/948824839.db2.gz UQCIFULJURHMAF-KIGUWFBYSA-N -1 1 382.453 1.073 20 0 GDADMM CC(C)c1ccoc1C(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001574421988 948826429 /nfs/dbraw/zinc/82/64/29/948826429.db2.gz TZIHXXSTJYAMDV-GFCCVEGCSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1ccsc1C(=O)N(C)[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574422318 948831064 /nfs/dbraw/zinc/83/10/64/948831064.db2.gz YRXZNHWEQYUAJD-LLVKDONJSA-N -1 1 386.485 1.836 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cc2c([nH]1)CCCC2 ZINC001574682853 948832308 /nfs/dbraw/zinc/83/23/08/948832308.db2.gz RVCOBVYSGNNMLG-NSHDSACASA-N -1 1 381.444 1.484 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cc2c([nH]1)CCCC2 ZINC001574682853 948832327 /nfs/dbraw/zinc/83/23/27/948832327.db2.gz RVCOBVYSGNNMLG-NSHDSACASA-N -1 1 381.444 1.484 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1scnc1C1CC1 ZINC001574683407 948848786 /nfs/dbraw/zinc/84/87/86/948848786.db2.gz ZZZHXHCEVCXHOZ-VIFPVBQESA-N -1 1 385.457 1.611 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1scnc1C1CC1 ZINC001574683407 948848801 /nfs/dbraw/zinc/84/88/01/948848801.db2.gz ZZZHXHCEVCXHOZ-VIFPVBQESA-N -1 1 385.457 1.611 20 0 GDADMM CC(C)c1ccsc1C(=O)NC[C@H](CO)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574424563 948854517 /nfs/dbraw/zinc/85/45/17/948854517.db2.gz PZQBQMCQTHMISM-SNVBAGLBSA-N -1 1 388.457 1.044 20 0 GDADMM CC(C)c1ccsc1C(=O)NC[C@H](CO)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574424563 948854537 /nfs/dbraw/zinc/85/45/37/948854537.db2.gz PZQBQMCQTHMISM-SNVBAGLBSA-N -1 1 388.457 1.044 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)c1ccncn1 ZINC001574684184 948858101 /nfs/dbraw/zinc/85/81/01/948858101.db2.gz BYORJBLPJXPPIQ-SSDOTTSWSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)c1ccncn1 ZINC001574684184 948858120 /nfs/dbraw/zinc/85/81/20/948858120.db2.gz BYORJBLPJXPPIQ-SSDOTTSWSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)COCC1CC1 ZINC001574684206 948858958 /nfs/dbraw/zinc/85/89/58/948858958.db2.gz CDKKZSABJLROQW-QMMMGPOBSA-N -1 1 385.881 1.710 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)COCC1CC1 ZINC001574684206 948858984 /nfs/dbraw/zinc/85/89/84/948858984.db2.gz CDKKZSABJLROQW-QMMMGPOBSA-N -1 1 385.881 1.710 20 0 GDADMM CC(C)c1nc(C(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)cs1 ZINC001574424800 948862879 /nfs/dbraw/zinc/86/28/79/948862879.db2.gz VVXWEOSLCWIIRN-SNVBAGLBSA-N -1 1 385.457 1.245 20 0 GDADMM CC(C)c1nc(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)cs1 ZINC001574424800 948862898 /nfs/dbraw/zinc/86/28/98/948862898.db2.gz VVXWEOSLCWIIRN-SNVBAGLBSA-N -1 1 385.457 1.245 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H]2[C@H](CCN2c2cncc(-c3nnn[n-]3)n2)C1)C(F)F ZINC001573763092 948865610 /nfs/dbraw/zinc/86/56/10/948865610.db2.gz AMTGRJMQBYNATJ-ZYHUDNBSSA-N -1 1 392.414 1.375 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H]2[C@H](CCN2c2cncc(-c3nn[n-]n3)n2)C1)C(F)F ZINC001573763092 948865623 /nfs/dbraw/zinc/86/56/23/948865623.db2.gz AMTGRJMQBYNATJ-ZYHUDNBSSA-N -1 1 392.414 1.375 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H]2[C@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001573764292 948886071 /nfs/dbraw/zinc/88/60/71/948886071.db2.gz LTAUJSYQJORBJN-TZMCWYRMSA-N -1 1 382.472 1.520 20 0 GDADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)C1=COCCO1 ZINC001574684920 948897306 /nfs/dbraw/zinc/89/73/06/948897306.db2.gz PEGZTFKYRAGQEU-SSDOTTSWSA-N -1 1 385.837 1.172 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@]12CCC[C@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001575234313 948898356 /nfs/dbraw/zinc/89/83/56/948898356.db2.gz AWTSWPPVVKLXKI-SJKOYZFVSA-N -1 1 392.414 1.710 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@]12CCC[C@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001575234313 948898374 /nfs/dbraw/zinc/89/83/74/948898374.db2.gz AWTSWPPVVKLXKI-SJKOYZFVSA-N -1 1 392.414 1.710 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)[C@@H]1CCCCO1 ZINC001574685046 948900696 /nfs/dbraw/zinc/90/06/96/948900696.db2.gz RRSMYUWYGLYUGY-IUCAKERBSA-N -1 1 385.881 1.852 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)[C@@H]1CCCCO1 ZINC001574685046 948900703 /nfs/dbraw/zinc/90/07/03/948900703.db2.gz RRSMYUWYGLYUGY-IUCAKERBSA-N -1 1 385.881 1.852 20 0 GDADMM CC(C)c1ncc(C(=O)N(C)CCN(C)c2ccnc(-c3nn[n-]n3)n2)s1 ZINC001574427486 948902686 /nfs/dbraw/zinc/90/26/86/948902686.db2.gz GCTLSBGIWQZUAP-UHFFFAOYSA-N -1 1 387.473 1.445 20 0 GDADMM CC(C)c1ncc(C(=O)NCC2(Nc3nccnc3-c3nnn[n-]3)CC2)s1 ZINC001574427561 948906464 /nfs/dbraw/zinc/90/64/64/948906464.db2.gz HJDSNIOUBNFBOT-UHFFFAOYSA-N -1 1 385.457 1.611 20 0 GDADMM CC(C)c1ncc(C(=O)NCC2(Nc3nccnc3-c3nn[n-]n3)CC2)s1 ZINC001574427561 948906472 /nfs/dbraw/zinc/90/64/72/948906472.db2.gz HJDSNIOUBNFBOT-UHFFFAOYSA-N -1 1 385.457 1.611 20 0 GDADMM CC(C)c1ncc(C(=O)NCC2(Nc3cncc(-c4nnn[n-]4)n3)CC2)s1 ZINC001574427768 948914183 /nfs/dbraw/zinc/91/41/83/948914183.db2.gz NQUXGAZIWITRHU-UHFFFAOYSA-N -1 1 385.457 1.611 20 0 GDADMM CC(C)c1ncc(C(=O)NCC2(Nc3cncc(-c4nn[n-]n4)n3)CC2)s1 ZINC001574427768 948914197 /nfs/dbraw/zinc/91/41/97/948914197.db2.gz NQUXGAZIWITRHU-UHFFFAOYSA-N -1 1 385.457 1.611 20 0 GDADMM CC(C)c1ncc(C(=O)NCCCN(C)c2nccnc2-c2nnn[n-]2)s1 ZINC001574427883 948918148 /nfs/dbraw/zinc/91/81/48/948918148.db2.gz UMGGRNDVDCICHK-UHFFFAOYSA-N -1 1 387.473 1.493 20 0 GDADMM CC(C)c1ncc(C(=O)NCCCN(C)c2nccnc2-c2nn[n-]n2)s1 ZINC001574427883 948918161 /nfs/dbraw/zinc/91/81/61/948918161.db2.gz UMGGRNDVDCICHK-UHFFFAOYSA-N -1 1 387.473 1.493 20 0 GDADMM CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001573765934 948931484 /nfs/dbraw/zinc/93/14/84/948931484.db2.gz QUHVRPUFWWQVDW-IUCAKERBSA-N -1 1 382.350 1.035 20 0 GDADMM CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001573765934 948931494 /nfs/dbraw/zinc/93/14/94/948931494.db2.gz QUHVRPUFWWQVDW-IUCAKERBSA-N -1 1 382.350 1.035 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@@H]2[C@@H](CCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001575236071 948934888 /nfs/dbraw/zinc/93/48/88/948934888.db2.gz UXEQMQOLPZCKKI-NWDGAFQWSA-N -1 1 392.414 1.519 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@@H]2[C@@H](CCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001575236071 948934897 /nfs/dbraw/zinc/93/48/97/948934897.db2.gz UXEQMQOLPZCKKI-NWDGAFQWSA-N -1 1 392.414 1.519 20 0 GDADMM CC(C)c1ncncc1C(=O)N(C)[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574432568 948935419 /nfs/dbraw/zinc/93/54/19/948935419.db2.gz NEPSJQGKOZUONW-NSHDSACASA-N -1 1 382.432 1.143 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001573771203 948935389 /nfs/dbraw/zinc/93/53/89/948935389.db2.gz CYJNPYUQURHYPP-OAHLLOKOSA-N -1 1 392.467 1.720 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001573771203 948935397 /nfs/dbraw/zinc/93/53/97/948935397.db2.gz CYJNPYUQURHYPP-OAHLLOKOSA-N -1 1 392.467 1.720 20 0 GDADMM CC(C)c1ncncc1C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574432568 948935431 /nfs/dbraw/zinc/93/54/31/948935431.db2.gz NEPSJQGKOZUONW-NSHDSACASA-N -1 1 382.432 1.143 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575237534 948947648 /nfs/dbraw/zinc/94/76/48/948947648.db2.gz HASHWVQEDCCKJQ-QWRGUYRKSA-N -1 1 380.403 1.211 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2 ZINC001575237990 948951871 /nfs/dbraw/zinc/95/18/71/948951871.db2.gz KJTOCUKTRPHGKW-MNOVXSKESA-N -1 1 392.414 1.353 20 0 GDADMM CC(C)(C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573772097 948953655 /nfs/dbraw/zinc/95/36/55/948953655.db2.gz QMWLXUPFOFJZNH-AGUYFDCRSA-N -1 1 382.472 1.709 20 0 GDADMM CC(C)(C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573772097 948953664 /nfs/dbraw/zinc/95/36/64/948953664.db2.gz QMWLXUPFOFJZNH-AGUYFDCRSA-N -1 1 382.472 1.709 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N[C@H](C)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574433783 948963412 /nfs/dbraw/zinc/96/34/12/948963412.db2.gz QCYNDRAHQHSNQH-WDEREUQCSA-N -1 1 384.448 1.133 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N[C@H](C)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574433783 948963421 /nfs/dbraw/zinc/96/34/21/948963421.db2.gz QCYNDRAHQHSNQH-WDEREUQCSA-N -1 1 384.448 1.133 20 0 GDADMM C[C@H](CC(=O)N[C@@H](C)CCNc1nccnc1-c1nnn[n-]1)c1ccncc1 ZINC001574689346 948983271 /nfs/dbraw/zinc/98/32/71/948983271.db2.gz GKCKUKWSWIQUHN-OLZOCXBDSA-N -1 1 381.444 1.552 20 0 GDADMM C[C@H](CC(=O)N[C@@H](C)CCNc1nccnc1-c1nn[n-]n1)c1ccncc1 ZINC001574689346 948983282 /nfs/dbraw/zinc/98/32/82/948983282.db2.gz GKCKUKWSWIQUHN-OLZOCXBDSA-N -1 1 381.444 1.552 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1 ZINC001575243076 948990905 /nfs/dbraw/zinc/99/09/05/948990905.db2.gz LZNKCVXNBIMRIG-SCVCMEIPSA-N -1 1 378.387 1.318 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1 ZINC001575243076 948990916 /nfs/dbraw/zinc/99/09/16/948990916.db2.gz LZNKCVXNBIMRIG-SCVCMEIPSA-N -1 1 378.387 1.318 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H](F)Cc1ccccc1 ZINC001574690294 948996935 /nfs/dbraw/zinc/99/69/35/948996935.db2.gz OAZGIEIWASLFQO-JSGCOSHPSA-N -1 1 384.419 1.544 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H](F)Cc1ccccc1 ZINC001574690294 948996951 /nfs/dbraw/zinc/99/69/51/948996951.db2.gz OAZGIEIWASLFQO-JSGCOSHPSA-N -1 1 384.419 1.544 20 0 GDADMM CC(C)[C@@H]1C[C@@H](C(=O)NCC=CCNc2nccnc2-c2nnn[n-]2)CCO1 ZINC001574090819 948999479 /nfs/dbraw/zinc/99/94/79/948999479.db2.gz JHQGYLSTVJOFFH-NVFZZLLCSA-N -1 1 386.460 1.192 20 0 GDADMM CC(C)[C@@H]1C[C@@H](C(=O)NCC=CCNc2nccnc2-c2nn[n-]n2)CCO1 ZINC001574090819 948999500 /nfs/dbraw/zinc/99/95/00/948999500.db2.gz JHQGYLSTVJOFFH-NVFZZLLCSA-N -1 1 386.460 1.192 20 0 GDADMM CC(C)c1nnsc1C(=O)N(C)CCCNc1nccnc1-c1nnn[n-]1 ZINC001574439461 949005834 /nfs/dbraw/zinc/00/58/34/949005834.db2.gz FIYFEVIQOOXEQY-UHFFFAOYSA-N -1 1 388.461 1.206 20 0 GDADMM CC(C)c1nnsc1C(=O)N(C)CCCNc1nccnc1-c1nn[n-]n1 ZINC001574439461 949005849 /nfs/dbraw/zinc/00/58/49/949005849.db2.gz FIYFEVIQOOXEQY-UHFFFAOYSA-N -1 1 388.461 1.206 20 0 GDADMM CC(C)(C(=O)NC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1ccccc1 ZINC001573774351 949007552 /nfs/dbraw/zinc/00/75/52/949007552.db2.gz NAYDWJYOCDNPOJ-HNNXBMFYSA-N -1 1 392.467 1.363 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)C1CCCC1 ZINC001573774531 949014402 /nfs/dbraw/zinc/01/44/02/949014402.db2.gz UPEZEGYLQMIFOM-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)C1CCCC1 ZINC001573774531 949014422 /nfs/dbraw/zinc/01/44/22/949014422.db2.gz UPEZEGYLQMIFOM-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1 ZINC001575244368 949019352 /nfs/dbraw/zinc/01/93/52/949019352.db2.gz ZYKBHSILCYCEKZ-USWWRNFRSA-N -1 1 378.387 1.318 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1 ZINC001575244368 949019337 /nfs/dbraw/zinc/01/93/37/949019337.db2.gz ZYKBHSILCYCEKZ-USWWRNFRSA-N -1 1 378.387 1.318 20 0 GDADMM CC(C)c1nnsc1C(=O)N[C@H](C)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574439861 949019793 /nfs/dbraw/zinc/01/97/93/949019793.db2.gz KPMVQRUUJCPJGD-DTWKUNHWSA-N -1 1 388.461 1.251 20 0 GDADMM CC(C)c1nnsc1C(=O)N[C@H](C)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574439861 949019811 /nfs/dbraw/zinc/01/98/11/949019811.db2.gz KPMVQRUUJCPJGD-DTWKUNHWSA-N -1 1 388.461 1.251 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@@H]1CCCC1(F)F ZINC001574691313 949021660 /nfs/dbraw/zinc/02/16/60/949021660.db2.gz WOVNBTKFYKTQKC-QWRGUYRKSA-N -1 1 380.403 1.789 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@@H]1CCCC1(F)F ZINC001574691313 949021683 /nfs/dbraw/zinc/02/16/83/949021683.db2.gz WOVNBTKFYKTQKC-QWRGUYRKSA-N -1 1 380.403 1.789 20 0 GDADMM CC(C)[C@@]1(C)C[C@H]1C(=O)N1CCC(CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574091669 949025259 /nfs/dbraw/zinc/02/52/59/949025259.db2.gz QAYPPIGQFKSWFA-IFXJQAMLSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)[C@@]1(C)C[C@H]1C(=O)N1CCC(CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574091669 949025276 /nfs/dbraw/zinc/02/52/76/949025276.db2.gz QAYPPIGQFKSWFA-IFXJQAMLSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H](CN(C)C(=O)C(C)(C)C1CCOCC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574692673 949035926 /nfs/dbraw/zinc/03/59/26/949035926.db2.gz AJDCFLJLWXQPBP-LBPRGKRZSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@@H](CN(C)C(=O)C(C)(C)C1CCOCC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574692673 949035945 /nfs/dbraw/zinc/03/59/45/949035945.db2.gz AJDCFLJLWXQPBP-LBPRGKRZSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@H](CN(C)C(=O)C(C)(C)C1CCOCC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574692664 949038392 /nfs/dbraw/zinc/03/83/92/949038392.db2.gz AGJJWMXROUWSKB-GFCCVEGCSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@H](CN(C)C(=O)C(C)(C)C1CCOCC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574692664 949038412 /nfs/dbraw/zinc/03/84/12/949038412.db2.gz AGJJWMXROUWSKB-GFCCVEGCSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1CCCC1 ZINC001573779229 949052661 /nfs/dbraw/zinc/05/26/61/949052661.db2.gz DRKBVXOYYJSFOD-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1CCCC1 ZINC001573779229 949052683 /nfs/dbraw/zinc/05/26/83/949052683.db2.gz DRKBVXOYYJSFOD-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001574441106 949054915 /nfs/dbraw/zinc/05/49/15/949054915.db2.gz BLXBCSICMCVVHT-LBPRGKRZSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001574441106 949054931 /nfs/dbraw/zinc/05/49/31/949054931.db2.gz BLXBCSICMCVVHT-LBPRGKRZSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)(C(=O)NCC1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccccc1 ZINC001573779294 949057153 /nfs/dbraw/zinc/05/71/53/949057153.db2.gz GNHBSTWVJDJAEN-UHFFFAOYSA-N -1 1 392.467 1.941 20 0 GDADMM CC(C)(C(=O)NCC1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccccc1 ZINC001573779294 949057171 /nfs/dbraw/zinc/05/71/71/949057171.db2.gz GNHBSTWVJDJAEN-UHFFFAOYSA-N -1 1 392.467 1.941 20 0 GDADMM CC(C)[C@@]1(C)C[C@H]1C(=O)NCC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001574092944 949088043 /nfs/dbraw/zinc/08/80/43/949088043.db2.gz UPTXPWUZXDPURS-IFXJQAMLSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)[C@@]1(C)C[C@H]1C(=O)NCC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001574092944 949088060 /nfs/dbraw/zinc/08/80/60/949088060.db2.gz UPTXPWUZXDPURS-IFXJQAMLSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001574443428 949109940 /nfs/dbraw/zinc/10/99/40/949109940.db2.gz YDROANIUSXSIRN-LLVKDONJSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001574443428 949109952 /nfs/dbraw/zinc/10/99/52/949109952.db2.gz YDROANIUSXSIRN-LLVKDONJSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1occc1C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574445997 949116389 /nfs/dbraw/zinc/11/63/89/949116389.db2.gz FCYHQAODYGWVTB-HAQNSBGRSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1occc1C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574445997 949116407 /nfs/dbraw/zinc/11/64/07/949116407.db2.gz FCYHQAODYGWVTB-HAQNSBGRSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)[C@@]1(C)C[C@H]1C(=O)NCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574093753 949118045 /nfs/dbraw/zinc/11/80/45/949118045.db2.gz YHUNVTPRXABCDL-IFXJQAMLSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)[C@@]1(C)C[C@H]1C(=O)NCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574093753 949118052 /nfs/dbraw/zinc/11/80/52/949118052.db2.gz YHUNVTPRXABCDL-IFXJQAMLSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1ncc(Cl)s1 ZINC001574696202 949123565 /nfs/dbraw/zinc/12/35/65/949123565.db2.gz MWPIGNDFVVFLQE-SSDOTTSWSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1ncc(Cl)s1 ZINC001574696202 949123578 /nfs/dbraw/zinc/12/35/78/949123578.db2.gz MWPIGNDFVVFLQE-SSDOTTSWSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1C[C@H](C(=O)[O-])C[C@H](c2cnn(C)c2)C1 ZINC001602793060 971552900 /nfs/dbraw/zinc/55/29/00/971552900.db2.gz OPCSOYCSPFUQMS-VHDGCEQUSA-N -1 1 399.451 1.036 20 0 GDADMM CC(C)c1occc1C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574446796 949138378 /nfs/dbraw/zinc/13/83/78/949138378.db2.gz WSMOVUUBBSXKOI-TXEJJXNPSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1occc1C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574446796 949138392 /nfs/dbraw/zinc/13/83/92/949138392.db2.gz WSMOVUUBBSXKOI-TXEJJXNPSA-N -1 1 382.428 1.994 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@@H](C)CCNc2nccnc2-c2nnn[n-]2)nc1 ZINC001574696815 949142293 /nfs/dbraw/zinc/14/22/93/949142293.db2.gz UXGZHPLSMDHBNA-LBPRGKRZSA-N -1 1 381.444 1.796 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@@H](C)CCNc2nccnc2-c2nn[n-]n2)nc1 ZINC001574696815 949142306 /nfs/dbraw/zinc/14/23/06/949142306.db2.gz UXGZHPLSMDHBNA-LBPRGKRZSA-N -1 1 381.444 1.796 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)NC1(CNc2cncc(-c3nnn[n-]3)n2)CCOCC1 ZINC001574094971 949144675 /nfs/dbraw/zinc/14/46/75/949144675.db2.gz WZIPZZHHNQGFQR-QWHCGFSZSA-N -1 1 386.460 1.026 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)NC1(CNc2cncc(-c3nn[n-]n3)n2)CCOCC1 ZINC001574094971 949144687 /nfs/dbraw/zinc/14/46/87/949144687.db2.gz WZIPZZHHNQGFQR-QWHCGFSZSA-N -1 1 386.460 1.026 20 0 GDADMM CC(C)[C@H]1C[C@@H](C(=O)N(C)CCN(C)c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC001574094873 949146439 /nfs/dbraw/zinc/14/64/39/949146439.db2.gz WTGHWTMKIYIFQS-DZGCQCFKSA-N -1 1 388.476 1.003 20 0 GDADMM CC(C)[C@H]1C[C@@H](C(=O)N(C)CCN(C)c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC001574094873 949146453 /nfs/dbraw/zinc/14/64/53/949146453.db2.gz WTGHWTMKIYIFQS-DZGCQCFKSA-N -1 1 388.476 1.003 20 0 GDADMM C[C@@H](Oc1ccccc1)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574697498 949155407 /nfs/dbraw/zinc/15/54/07/949155407.db2.gz AJXNCOJAKJECML-QWHCGFSZSA-N -1 1 382.428 1.383 20 0 GDADMM C[C@@H](Oc1ccccc1)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574697498 949155416 /nfs/dbraw/zinc/15/54/16/949155416.db2.gz AJXNCOJAKJECML-QWHCGFSZSA-N -1 1 382.428 1.383 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cccnc1 ZINC001573787124 949167509 /nfs/dbraw/zinc/16/75/09/949167509.db2.gz MLIONIIZWXJKNL-JOCQHMNTSA-N -1 1 379.428 1.089 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cccnc1 ZINC001573787124 949167529 /nfs/dbraw/zinc/16/75/29/949167529.db2.gz MLIONIIZWXJKNL-JOCQHMNTSA-N -1 1 379.428 1.089 20 0 GDADMM C[C@H](CNC(=O)COc1cccc(Cl)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574934673 949171973 /nfs/dbraw/zinc/17/19/73/949171973.db2.gz NPCKSGHBVVOKHI-SNVBAGLBSA-N -1 1 388.819 1.306 20 0 GDADMM C[C@H](CNC(=O)COc1cccc(Cl)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574934673 949171986 /nfs/dbraw/zinc/17/19/86/949171986.db2.gz NPCKSGHBVVOKHI-SNVBAGLBSA-N -1 1 388.819 1.306 20 0 GDADMM C[C@@H](NC(=O)C1(C(F)F)CCCC1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575253056 949179666 /nfs/dbraw/zinc/17/96/66/949179666.db2.gz SAHUVXOFWGURIF-VHSXEESVSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@@H](NC(=O)C1(C(F)F)CCCC1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575253056 949179651 /nfs/dbraw/zinc/17/96/51/949179651.db2.gz SAHUVXOFWGURIF-VHSXEESVSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@@H](NC(=O)C1(c2ccccc2)CC1)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575253156 949182827 /nfs/dbraw/zinc/18/28/27/949182827.db2.gz IZOGJWGFMFGMAM-CHWSQXEVSA-N -1 1 378.440 1.116 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H](C)c1cccc(F)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574698317 949186731 /nfs/dbraw/zinc/18/67/31/949186731.db2.gz JAQQUILJIKKKSL-RYUDHWBXSA-N -1 1 384.419 1.280 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H](C)c1cccc(F)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574698594 949198343 /nfs/dbraw/zinc/19/83/43/949198343.db2.gz MXWFXFQHEIFRKZ-VXGBXAGGSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H](C)c1cccc(F)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574698594 949198363 /nfs/dbraw/zinc/19/83/63/949198363.db2.gz MXWFXFQHEIFRKZ-VXGBXAGGSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@@H](C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nnn[n-]1)c1ccccc1F ZINC001574698584 949199872 /nfs/dbraw/zinc/19/98/72/949199872.db2.gz MTLMXHVGGJUWDV-NWDGAFQWSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@@H](C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nn[n-]n1)c1ccccc1F ZINC001574698584 949199880 /nfs/dbraw/zinc/19/98/80/949199880.db2.gz MTLMXHVGGJUWDV-NWDGAFQWSA-N -1 1 384.419 1.858 20 0 GDADMM CC(C)c1oncc1C(=O)N1C[C@@H](C)[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574449894 949200298 /nfs/dbraw/zinc/20/02/98/949200298.db2.gz UVLGIRGXJNCOPU-MFKMUULPSA-N -1 1 383.416 1.341 20 0 GDADMM CC(C)c1oncc1C(=O)N1C[C@@H](C)[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574449894 949200319 /nfs/dbraw/zinc/20/03/19/949200319.db2.gz UVLGIRGXJNCOPU-MFKMUULPSA-N -1 1 383.416 1.341 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H](C)c1ccccc1F)Nc1nccnc1-c1nnn[n-]1 ZINC001574698583 949200803 /nfs/dbraw/zinc/20/08/03/949200803.db2.gz MTLMXHVGGJUWDV-NEPJUHHUSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H](C)c1ccccc1F)Nc1nccnc1-c1nn[n-]n1 ZINC001574698583 949200824 /nfs/dbraw/zinc/20/08/24/949200824.db2.gz MTLMXHVGGJUWDV-NEPJUHHUSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(Cl)cc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574936097 949209053 /nfs/dbraw/zinc/20/90/53/949209053.db2.gz HGLDYCKMWKHVPR-NSHDSACASA-N -1 1 386.847 1.494 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(Cl)cc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574936097 949209080 /nfs/dbraw/zinc/20/90/80/949209080.db2.gz HGLDYCKMWKHVPR-NSHDSACASA-N -1 1 386.847 1.494 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)CC(F)(F)F)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575254742 949212627 /nfs/dbraw/zinc/21/26/27/949212627.db2.gz XGHRPGKLFDOJFJ-DTWKUNHWSA-N -1 1 386.382 1.940 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)CC(F)(F)F)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575254742 949212650 /nfs/dbraw/zinc/21/26/50/949212650.db2.gz XGHRPGKLFDOJFJ-DTWKUNHWSA-N -1 1 386.382 1.940 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)CC(F)(F)F)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575254744 949214796 /nfs/dbraw/zinc/21/47/96/949214796.db2.gz XGHRPGKLFDOJFJ-RKDXNWHRSA-N -1 1 386.382 1.940 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)CC(F)(F)F)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575254744 949214817 /nfs/dbraw/zinc/21/48/17/949214817.db2.gz XGHRPGKLFDOJFJ-RKDXNWHRSA-N -1 1 386.382 1.940 20 0 GDADMM C[C@@H](CNC(=O)Cc1cc2ccccc2o1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574936788 949217893 /nfs/dbraw/zinc/21/78/93/949217893.db2.gz KUKNBOWFDJEKKV-NSHDSACASA-N -1 1 378.396 1.562 20 0 GDADMM C[C@@H](CNC(=O)Cc1cc2ccccc2o1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574936788 949217916 /nfs/dbraw/zinc/21/79/16/949217916.db2.gz KUKNBOWFDJEKKV-NSHDSACASA-N -1 1 378.396 1.562 20 0 GDADMM CC(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1nccnc1-c1nnn[n-]1 ZINC001574103134 949228939 /nfs/dbraw/zinc/22/89/39/949228939.db2.gz LGJBKMOSZDQUNZ-YJNKXOJESA-N -1 1 382.472 1.376 20 0 GDADMM CC(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1nccnc1-c1nn[n-]n1 ZINC001574103134 949228959 /nfs/dbraw/zinc/22/89/59/949228959.db2.gz LGJBKMOSZDQUNZ-YJNKXOJESA-N -1 1 382.472 1.376 20 0 GDADMM CC(C)c1scnc1C(=O)N(C)[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574451271 949229312 /nfs/dbraw/zinc/22/93/12/949229312.db2.gz JOENARBXIJPSJO-SNVBAGLBSA-N -1 1 387.473 1.231 20 0 GDADMM CC(C)c1oncc1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C ZINC001574451349 949231163 /nfs/dbraw/zinc/23/11/63/949231163.db2.gz NKRHIWXNTMXWRQ-PWSUYJOCSA-N -1 1 383.416 1.165 20 0 GDADMM CC(C)c1oncc1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C ZINC001574451349 949231181 /nfs/dbraw/zinc/23/11/81/949231181.db2.gz NKRHIWXNTMXWRQ-PWSUYJOCSA-N -1 1 383.416 1.165 20 0 GDADMM C[C@H]1CCC[C@]1(C)C(=O)NCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576152047 949241627 /nfs/dbraw/zinc/24/16/27/949241627.db2.gz IDYQDEIJKBGAGB-DJJJIMSYSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H]1CCC[C@]1(C)C(=O)NCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576152047 949241641 /nfs/dbraw/zinc/24/16/41/949241641.db2.gz IDYQDEIJKBGAGB-DJJJIMSYSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H]1CCC[C@@]1(C)C(=O)NCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576152049 949241849 /nfs/dbraw/zinc/24/18/49/949241849.db2.gz IDYQDEIJKBGAGB-ORAYPTAESA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H]1CCC[C@@]1(C)C(=O)NCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576152049 949241873 /nfs/dbraw/zinc/24/18/73/949241873.db2.gz IDYQDEIJKBGAGB-ORAYPTAESA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)c1scnc1C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574451776 949244059 /nfs/dbraw/zinc/24/40/59/949244059.db2.gz XYRFDCGFMHFUNZ-SNVBAGLBSA-N -1 1 385.457 1.563 20 0 GDADMM CC(C)c1scnc1C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574451776 949244077 /nfs/dbraw/zinc/24/40/77/949244077.db2.gz XYRFDCGFMHFUNZ-SNVBAGLBSA-N -1 1 385.457 1.563 20 0 GDADMM CC(C)c1scnc1C(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574451730 949245167 /nfs/dbraw/zinc/24/51/67/949245167.db2.gz WFTUCYRPBQUZRK-JTQLQIEISA-N -1 1 387.473 1.491 20 0 GDADMM Cc1c(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cccc1N1CN=NC1=O ZINC000378009312 971566275 /nfs/dbraw/zinc/56/62/75/971566275.db2.gz IFSUQATUFMZYRS-UHFFFAOYSA-N -1 1 377.382 1.119 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc2c(c1)CCC2)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574940205 949256112 /nfs/dbraw/zinc/25/61/12/949256112.db2.gz BJXPYJKZJAFGQZ-ZDUSSCGKSA-N -1 1 392.467 1.329 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc2c(c1)CCC2)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574940205 949256131 /nfs/dbraw/zinc/25/61/31/949256131.db2.gz BJXPYJKZJAFGQZ-ZDUSSCGKSA-N -1 1 392.467 1.329 20 0 GDADMM CC1(c2ccccc2C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001575856998 949260780 /nfs/dbraw/zinc/26/07/80/949260780.db2.gz MSHDYFATQNHBRD-CYBMUJFWSA-N -1 1 390.451 1.717 20 0 GDADMM CC1(c2ccccc2C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001575856998 949260801 /nfs/dbraw/zinc/26/08/01/949260801.db2.gz MSHDYFATQNHBRD-CYBMUJFWSA-N -1 1 390.451 1.717 20 0 GDADMM C[C@H](CNC(=O)Cc1ccccc1Cl)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574940405 949261311 /nfs/dbraw/zinc/26/13/11/949261311.db2.gz FAFPWCLDEYAMIL-NSHDSACASA-N -1 1 386.847 1.717 20 0 GDADMM C[C@H](CNC(=O)Cc1ccccc1Cl)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574940405 949261333 /nfs/dbraw/zinc/26/13/33/949261333.db2.gz FAFPWCLDEYAMIL-NSHDSACASA-N -1 1 386.847 1.717 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccccc1Cl)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574940404 949262088 /nfs/dbraw/zinc/26/20/88/949262088.db2.gz FAFPWCLDEYAMIL-LLVKDONJSA-N -1 1 386.847 1.717 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccccc1Cl)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574940404 949262108 /nfs/dbraw/zinc/26/21/08/949262108.db2.gz FAFPWCLDEYAMIL-LLVKDONJSA-N -1 1 386.847 1.717 20 0 GDADMM C[C@@H](CN(C)C(=O)C1(c2ccccc2)CC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574701489 949265691 /nfs/dbraw/zinc/26/56/91/949265691.db2.gz BCBIACYGSJAEOJ-ZDUSSCGKSA-N -1 1 378.440 1.647 20 0 GDADMM C[C@@H](CN(C)C(=O)C1(c2ccccc2)CC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574701489 949265710 /nfs/dbraw/zinc/26/57/10/949265710.db2.gz BCBIACYGSJAEOJ-ZDUSSCGKSA-N -1 1 378.440 1.647 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(C2CC2)c1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574940716 949271051 /nfs/dbraw/zinc/27/10/51/949271051.db2.gz ISALGTHVVKJKDJ-ZDUSSCGKSA-N -1 1 392.467 1.718 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(C2CC2)c1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574940716 949271066 /nfs/dbraw/zinc/27/10/66/949271066.db2.gz ISALGTHVVKJKDJ-ZDUSSCGKSA-N -1 1 392.467 1.718 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(Cl)c1F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574940641 949273438 /nfs/dbraw/zinc/27/34/38/949273438.db2.gz HZUAPPFETCTJGT-VIFPVBQESA-N -1 1 390.810 1.030 20 0 GDADMM CC(C)n1cc(C(=O)N2CCC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001574452945 949273774 /nfs/dbraw/zinc/27/37/74/949273774.db2.gz SCGNXQKETGGLEG-ZDUSSCGKSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1cc(C(=O)N2CCC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001574452945 949273795 /nfs/dbraw/zinc/27/37/95/949273795.db2.gz SCGNXQKETGGLEG-ZDUSSCGKSA-N -1 1 382.432 1.151 20 0 GDADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)C[C@@H]2CC[C@H]3C[C@H]32)CC1 ZINC001575857727 949276036 /nfs/dbraw/zinc/27/60/36/949276036.db2.gz UIOOTCDDZVJTCC-MELADBBJSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)C[C@@H]2CC[C@H]3C[C@H]32)CC1 ZINC001575857727 949276056 /nfs/dbraw/zinc/27/60/56/949276056.db2.gz UIOOTCDDZVJTCC-MELADBBJSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@H](CNC(=O)Cc1ccccc1Cl)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574940883 949279404 /nfs/dbraw/zinc/27/94/04/949279404.db2.gz LPOLYZSMKCTUCF-NSHDSACASA-N -1 1 386.847 1.717 20 0 GDADMM C[C@H](CNC(=O)Cc1ccccc1Cl)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574940883 949279421 /nfs/dbraw/zinc/27/94/21/949279421.db2.gz LPOLYZSMKCTUCF-NSHDSACASA-N -1 1 386.847 1.717 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(F)c1F)CNc1nccnc1-c1nnn[n-]1 ZINC001574940982 949281943 /nfs/dbraw/zinc/28/19/43/949281943.db2.gz NNEFTRBCAKMIAP-JTQLQIEISA-N -1 1 388.382 1.342 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(F)c1F)CNc1nccnc1-c1nn[n-]n1 ZINC001574940982 949281965 /nfs/dbraw/zinc/28/19/65/949281965.db2.gz NNEFTRBCAKMIAP-JTQLQIEISA-N -1 1 388.382 1.342 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc[nH]1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574940985 949285490 /nfs/dbraw/zinc/28/54/90/949285490.db2.gz NPTBNXGYQNHDLE-QMMMGPOBSA-N -1 1 380.865 1.712 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc[nH]1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574940985 949285512 /nfs/dbraw/zinc/28/55/12/949285512.db2.gz NPTBNXGYQNHDLE-QMMMGPOBSA-N -1 1 380.865 1.712 20 0 GDADMM C[C@H](NC(=O)C1=COCCC1)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575258024 949287955 /nfs/dbraw/zinc/28/79/55/949287955.db2.gz CVNPTCZPVKUORA-STQMWFEESA-N -1 1 384.444 1.072 20 0 GDADMM C[C@H](NC(=O)C1=COCCC1)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575258024 949287984 /nfs/dbraw/zinc/28/79/84/949287984.db2.gz CVNPTCZPVKUORA-STQMWFEESA-N -1 1 384.444 1.072 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccon1 ZINC001576153698 949297011 /nfs/dbraw/zinc/29/70/11/949297011.db2.gz ABQAYZUNUVEAFE-PIGZYNQJSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccon1 ZINC001576153698 949297031 /nfs/dbraw/zinc/29/70/31/949297031.db2.gz ABQAYZUNUVEAFE-PIGZYNQJSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@H](CN(C)C(=O)[C@]1(C)CCOC1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574702891 949300555 /nfs/dbraw/zinc/30/05/55/949300555.db2.gz NKOVUXZBBFKEQB-XLKFXECMSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@H](CN(C)C(=O)[C@]1(C)CCOC1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574702891 949300572 /nfs/dbraw/zinc/30/05/72/949300572.db2.gz NKOVUXZBBFKEQB-XLKFXECMSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@H](CN(C)C(=O)C1(c2ccccc2)CC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574703085 949308633 /nfs/dbraw/zinc/30/86/33/949308633.db2.gz QMIVNRRDWRPAIB-CYBMUJFWSA-N -1 1 378.440 1.647 20 0 GDADMM C[C@H](CN(C)C(=O)C1(c2ccccc2)CC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574703085 949308658 /nfs/dbraw/zinc/30/86/58/949308658.db2.gz QMIVNRRDWRPAIB-CYBMUJFWSA-N -1 1 378.440 1.647 20 0 GDADMM CC(C)n1ccc(C(=O)N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001574457159 949314200 /nfs/dbraw/zinc/31/42/00/949314200.db2.gz ATVRXUWNHVDVCM-GFCCVEGCSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1ccc(C(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001574457159 949314223 /nfs/dbraw/zinc/31/42/23/949314223.db2.gz ATVRXUWNHVDVCM-GFCCVEGCSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@@H]1CCC[C@H]1CC(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001576154148 949317914 /nfs/dbraw/zinc/31/79/14/949317914.db2.gz CDWCKOQHJORPIG-OLZOCXBDSA-N -1 1 390.513 1.417 20 0 GDADMM C[C@H](NC(=O)C1CC2(CC2)C1)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575259435 949330799 /nfs/dbraw/zinc/33/07/99/949330799.db2.gz OGHVHAJWOYOOCR-QWHCGFSZSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](NC(=O)C1CC2(CC2)C1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575259435 949330822 /nfs/dbraw/zinc/33/08/22/949330822.db2.gz OGHVHAJWOYOOCR-QWHCGFSZSA-N -1 1 382.472 1.568 20 0 GDADMM CC(C)n1ccc(C(=O)N(C)C2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)n1 ZINC001574457694 949333189 /nfs/dbraw/zinc/33/31/89/949333189.db2.gz MXXDHJDSZWAWQB-UHFFFAOYSA-N -1 1 386.485 1.662 20 0 GDADMM CC(C)n1ccc(C(=O)N2CCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)n1 ZINC001574458634 949340716 /nfs/dbraw/zinc/34/07/16/949340716.db2.gz VCNZTZMSPNPUER-GFCCVEGCSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1ccc(C(=O)N2CCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)n1 ZINC001574458634 949340727 /nfs/dbraw/zinc/34/07/27/949340727.db2.gz VCNZTZMSPNPUER-GFCCVEGCSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1ccc(C(=O)NC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C2CC2)n1 ZINC001574458568 949341014 /nfs/dbraw/zinc/34/10/14/949341014.db2.gz TUKZYLOLHUUDHO-ZDUSSCGKSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1ccc(C(=O)NC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C2CC2)n1 ZINC001574458568 949341037 /nfs/dbraw/zinc/34/10/37/949341037.db2.gz TUKZYLOLHUUDHO-ZDUSSCGKSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@@H](NC(=O)C1=CCOCC1)[C@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575260057 949344702 /nfs/dbraw/zinc/34/47/02/949344702.db2.gz TZRIQPMQUDWNQD-SFYZADRCSA-N -1 1 383.865 1.628 20 0 GDADMM CC(C)n1ccc(C(=O)NCC2(Nc3cnc(-c4nnn[n-]4)cn3)CCC2)n1 ZINC001574458835 949351155 /nfs/dbraw/zinc/35/11/55/949351155.db2.gz ZSYAJYSOKXMRPO-UHFFFAOYSA-N -1 1 382.432 1.199 20 0 GDADMM CC(C)n1ccc(C(=O)NCC2(Nc3cnc(-c4nn[n-]n4)cn3)CCC2)n1 ZINC001574458835 949351176 /nfs/dbraw/zinc/35/11/76/949351176.db2.gz ZSYAJYSOKXMRPO-UHFFFAOYSA-N -1 1 382.432 1.199 20 0 GDADMM CC(C)(C)C(=O)N[C@@H]1COC2(CN(Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001573799086 949365650 /nfs/dbraw/zinc/36/56/50/949365650.db2.gz JZQINBHQOMPONN-NSHDSACASA-N -1 1 376.486 1.434 20 0 GDADMM C[C@H]1CCC[C@H]1CC(=O)NCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001576154851 949366625 /nfs/dbraw/zinc/36/66/25/949366625.db2.gz FUNDBTGRSMMTCP-ZFWWWQNUSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H]1CCC[C@H]1CC(=O)NCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001576154851 949366645 /nfs/dbraw/zinc/36/66/45/949366645.db2.gz FUNDBTGRSMMTCP-ZFWWWQNUSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C)C(=O)N[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C[C@@H]1O ZINC001573799337 949367396 /nfs/dbraw/zinc/36/73/96/949367396.db2.gz LKLYXLPGAAMAER-SFYZADRCSA-N -1 1 385.881 1.079 20 0 GDADMM CC(C)(C)C(=O)N[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C[C@@H]1O ZINC001573799337 949367413 /nfs/dbraw/zinc/36/74/13/949367413.db2.gz LKLYXLPGAAMAER-SFYZADRCSA-N -1 1 385.881 1.079 20 0 GDADMM C[C@H](NC(=O)C1CCOCC1)[C@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001575262786 949382596 /nfs/dbraw/zinc/38/25/96/949382596.db2.gz CCGQTMYPCPWLMT-YUMQZZPRSA-N -1 1 385.881 1.708 20 0 GDADMM C[C@H](NC(=O)C1CCOCC1)[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575262786 949382622 /nfs/dbraw/zinc/38/26/22/949382622.db2.gz CCGQTMYPCPWLMT-YUMQZZPRSA-N -1 1 385.881 1.708 20 0 GDADMM CC1=CC[C@](C)(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001575865835 949385893 /nfs/dbraw/zinc/38/58/93/949385893.db2.gz MZVKAPRJJIKAGU-KUHUBIRLSA-N -1 1 382.472 1.878 20 0 GDADMM CC1=CC[C@](C)(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001575865835 949385914 /nfs/dbraw/zinc/38/59/14/949385914.db2.gz MZVKAPRJJIKAGU-KUHUBIRLSA-N -1 1 382.472 1.878 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1CCCC(F)(F)C1)Nc1nccnc1-c1nnn[n-]1 ZINC001574704373 949385979 /nfs/dbraw/zinc/38/59/79/949385979.db2.gz BSGUKPUKMDPHRR-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1CCCC(F)(F)C1)Nc1nccnc1-c1nn[n-]n1 ZINC001574704373 949385999 /nfs/dbraw/zinc/38/59/99/949385999.db2.gz BSGUKPUKMDPHRR-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM CC1(C)CN(C(=O)C2(C)CCCCC2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575528186 949388923 /nfs/dbraw/zinc/38/89/23/949388923.db2.gz OAENAFFRFAJUBE-CYBMUJFWSA-N -1 1 384.488 1.698 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C(C2CC2)C2CC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575866081 949392261 /nfs/dbraw/zinc/39/22/61/949392261.db2.gz CNTHKTYERKVHJO-FZMZJTMJSA-N -1 1 382.472 1.566 20 0 GDADMM CC1(C(=O)N2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575528288 949395404 /nfs/dbraw/zinc/39/54/04/949395404.db2.gz QSTOBDZDZMXWPR-FQUUOJAGSA-N -1 1 380.456 1.130 20 0 GDADMM CC(C)(C)C(=O)NC[C@@]1(O)CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573801603 949402946 /nfs/dbraw/zinc/40/29/46/949402946.db2.gz AYOHQQNFBXSVIA-AWEZNQCLSA-N -1 1 385.881 1.080 20 0 GDADMM CC(C)(C)C(=O)NC[C@@]1(O)CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573801603 949402955 /nfs/dbraw/zinc/40/29/55/949402955.db2.gz AYOHQQNFBXSVIA-AWEZNQCLSA-N -1 1 385.881 1.080 20 0 GDADMM C[C@@H]1CCC[C@H]1CC(=O)N(C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576155529 949409546 /nfs/dbraw/zinc/40/95/46/949409546.db2.gz VDGYDPBOGPHVLX-KGLIPLIRSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCC[C@H]1CC(=O)N(C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576155529 949409557 /nfs/dbraw/zinc/40/95/57/949409557.db2.gz VDGYDPBOGPHVLX-KGLIPLIRSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCC[C@@H]1CC(=O)N(C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576155534 949411133 /nfs/dbraw/zinc/41/11/33/949411133.db2.gz VDGYDPBOGPHVLX-ZIAGYGMSSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCC[C@@H]1CC(=O)N(C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576155534 949411147 /nfs/dbraw/zinc/41/11/47/949411147.db2.gz VDGYDPBOGPHVLX-ZIAGYGMSSA-N -1 1 384.488 1.910 20 0 GDADMM CC1(C(=O)N2CC[C@H](CCNc3cnc(-c4nnn[n-]4)cn3)C2)CC(F)(F)C1 ZINC001575533182 949411850 /nfs/dbraw/zinc/41/18/50/949411850.db2.gz DYYYKVUUYHBDHA-NSHDSACASA-N -1 1 392.414 1.743 20 0 GDADMM CC1(C(=O)N2CC[C@H](CCNc3cnc(-c4nn[n-]n4)cn3)C2)CC(F)(F)C1 ZINC001575533182 949411869 /nfs/dbraw/zinc/41/18/69/949411869.db2.gz DYYYKVUUYHBDHA-NSHDSACASA-N -1 1 392.414 1.743 20 0 GDADMM CC1(C(=O)N2CCC([C@@H]3CCCN3c3nccnc3-c3nnn[n-]3)CC2)CC1 ZINC001575533254 949416147 /nfs/dbraw/zinc/41/61/47/949416147.db2.gz GFDZJAVVGRQLDB-AWEZNQCLSA-N -1 1 382.472 1.664 20 0 GDADMM CC1(C(=O)N2CCC([C@@H]3CCCN3c3nccnc3-c3nn[n-]n3)CC2)CC1 ZINC001575533254 949416160 /nfs/dbraw/zinc/41/61/60/949416160.db2.gz GFDZJAVVGRQLDB-AWEZNQCLSA-N -1 1 382.472 1.664 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001574464583 949417127 /nfs/dbraw/zinc/41/71/27/949417127.db2.gz MXEZLAFAONNMJY-ZDUSSCGKSA-N -1 1 381.444 1.438 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001574464583 949417144 /nfs/dbraw/zinc/41/71/44/949417144.db2.gz MXEZLAFAONNMJY-ZDUSSCGKSA-N -1 1 381.444 1.438 20 0 GDADMM CC(C)(C)C(=O)NC[C@H]1CCC2(CN(Cc3ccc(-c4nn[n-]n4)s3)C2)O1 ZINC001573802580 949421547 /nfs/dbraw/zinc/42/15/47/949421547.db2.gz JGWHAAZNQGBOST-GFCCVEGCSA-N -1 1 390.513 1.824 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2(C(F)F)CCC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575866909 949423267 /nfs/dbraw/zinc/42/32/67/949423267.db2.gz IOVTWRGLZDPDRZ-WDEREUQCSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2(C(F)F)CCC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575866909 949423280 /nfs/dbraw/zinc/42/32/80/949423280.db2.gz IOVTWRGLZDPDRZ-WDEREUQCSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@@H]1CCC[C@H]1CC(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001576155940 949427006 /nfs/dbraw/zinc/42/70/06/949427006.db2.gz KOGXPJMDFQCABC-BARDWOONSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H]1CCC[C@H]1CC(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001576155940 949427019 /nfs/dbraw/zinc/42/70/19/949427019.db2.gz KOGXPJMDFQCABC-BARDWOONSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2(C(C)(F)F)CC2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575867737 949444768 /nfs/dbraw/zinc/44/47/68/949444768.db2.gz JZYFJRFIUSIPMT-WDEREUQCSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2(C(C)(F)F)CC2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575867737 949444778 /nfs/dbraw/zinc/44/47/78/949444778.db2.gz JZYFJRFIUSIPMT-WDEREUQCSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@@H](NC(=O)C1CCCCC1)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575265296 949448244 /nfs/dbraw/zinc/44/82/44/949448244.db2.gz UAQJAUVCPPTMSZ-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](NC(=O)C1CCCCC1)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575265296 949448259 /nfs/dbraw/zinc/44/82/59/949448259.db2.gz UAQJAUVCPPTMSZ-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C(=O)N2C[C@@H]3CCC[C@@H](Nc4nccnc4-c4nnn[n-]4)[C@H]3C2)CCC1 ZINC001575535572 949451162 /nfs/dbraw/zinc/45/11/62/949451162.db2.gz YUZLCIWDMZUBKZ-MELADBBJSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(C(=O)N2C[C@@H]3CCC[C@@H](Nc4nccnc4-c4nn[n-]n4)[C@H]3C2)CCC1 ZINC001575535572 949451180 /nfs/dbraw/zinc/45/11/80/949451180.db2.gz YUZLCIWDMZUBKZ-MELADBBJSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2(C)CC(F)(F)C2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575868725 949460532 /nfs/dbraw/zinc/46/05/32/949460532.db2.gz OPHIOTAJSWWREK-QWRGUYRKSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C(C2CC2)C2CC2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575868462 949460773 /nfs/dbraw/zinc/46/07/73/949460773.db2.gz NSIHPUYUQVZUGR-FZMZJTMJSA-N -1 1 382.472 1.566 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C(C2CC2)C2CC2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575868462 949460788 /nfs/dbraw/zinc/46/07/88/949460788.db2.gz NSIHPUYUQVZUGR-FZMZJTMJSA-N -1 1 382.472 1.566 20 0 GDADMM CC(C)n1nccc1C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001574468581 949467643 /nfs/dbraw/zinc/46/76/43/949467643.db2.gz QLKUWGROEOMNMN-UHFFFAOYSA-N -1 1 386.485 1.664 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1CCCc2ccccc21)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574707856 949479019 /nfs/dbraw/zinc/47/90/19/949479019.db2.gz RDSWFWQWGLPHDA-CZUORRHYSA-N -1 1 392.467 1.458 20 0 GDADMM CC(C)(C)C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1c1ccccc1 ZINC001573806138 949479714 /nfs/dbraw/zinc/47/97/14/949479714.db2.gz GXGSNNNKUSKJMJ-LSDHHAIUSA-N -1 1 392.467 1.791 20 0 GDADMM CC(C)(C)C(=O)NCc1ccc(CNc2ccnc(-c3nn[n-]n3)n2)cc1F ZINC001573806153 949480078 /nfs/dbraw/zinc/48/00/78/949480078.db2.gz HZKHWUOYTQGADV-UHFFFAOYSA-N -1 1 384.419 1.492 20 0 GDADMM C[C@@H](CNC(=O)Cn1cccn1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574949375 949491709 /nfs/dbraw/zinc/49/17/09/949491709.db2.gz VGUAVRXLFDETJE-QMMMGPOBSA-N -1 1 381.853 1.038 20 0 GDADMM C[C@]1(C(=O)N2CC[C@H](Nc3nc(Cl)c(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575537439 949492279 /nfs/dbraw/zinc/49/22/79/949492279.db2.gz UVRGFUVCJMGPNS-RTHLEPHNSA-N -1 1 383.865 1.416 20 0 GDADMM C[C@]1(C(=O)N2CC[C@H](Nc3nc(Cl)c(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575537439 949492292 /nfs/dbraw/zinc/49/22/92/949492292.db2.gz UVRGFUVCJMGPNS-RTHLEPHNSA-N -1 1 383.865 1.416 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cn[nH]c1 ZINC001576158519 949503183 /nfs/dbraw/zinc/50/31/83/949503183.db2.gz TZVGKQSLECNOIX-APPDUMDISA-N -1 1 382.432 1.171 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cn[nH]c1 ZINC001576158519 949503195 /nfs/dbraw/zinc/50/31/95/949503195.db2.gz TZVGKQSLECNOIX-APPDUMDISA-N -1 1 382.432 1.171 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CCCF ZINC001576159969 949519994 /nfs/dbraw/zinc/51/99/94/949519994.db2.gz YIZAPCHIKAQICW-SJCJKPOMSA-N -1 1 376.440 1.883 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CCCF ZINC001576159969 949520008 /nfs/dbraw/zinc/52/00/08/949520008.db2.gz YIZAPCHIKAQICW-SJCJKPOMSA-N -1 1 376.440 1.883 20 0 GDADMM CC(C)CC(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCC1(F)F ZINC001574122437 949524890 /nfs/dbraw/zinc/52/48/90/949524890.db2.gz WJDCCSONFVWTBZ-LLVKDONJSA-N -1 1 380.403 1.281 20 0 GDADMM CC(C)CC(=O)NCc1ccc2c(c1)CN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001574123023 949534349 /nfs/dbraw/zinc/53/43/49/949534349.db2.gz BJPNQOLLVKXISU-UHFFFAOYSA-N -1 1 378.440 1.839 20 0 GDADMM C[C@H](CC(=O)N(C)C1CC(Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccco1 ZINC001574471443 949538286 /nfs/dbraw/zinc/53/82/86/949538286.db2.gz MUKDOHSOFVAERH-PNESKVBLSA-N -1 1 382.428 1.845 20 0 GDADMM C[C@H](CC(=O)N(C)C1CC(Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574471443 949538312 /nfs/dbraw/zinc/53/83/12/949538312.db2.gz MUKDOHSOFVAERH-PNESKVBLSA-N -1 1 382.428 1.845 20 0 GDADMM C[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)[C@H](C)NC(=O)CC1(O)CCC1 ZINC001575269218 949540407 /nfs/dbraw/zinc/54/04/07/949540407.db2.gz SLGUDPRRMYPNBZ-JGVFFNPUSA-N -1 1 385.881 1.587 20 0 GDADMM C[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)[C@H](C)NC(=O)CC1(O)CCC1 ZINC001575269218 949540414 /nfs/dbraw/zinc/54/04/14/949540414.db2.gz SLGUDPRRMYPNBZ-JGVFFNPUSA-N -1 1 385.881 1.587 20 0 GDADMM C[C@@H](NC(=O)CC1(C(F)(F)F)CC1)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575269650 949557421 /nfs/dbraw/zinc/55/74/21/949557421.db2.gz WCDKORGHCLQOOT-RKDXNWHRSA-N -1 1 384.366 1.116 20 0 GDADMM C[C@H]1CCCC[C@@H]1OCC(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001576164574 949559025 /nfs/dbraw/zinc/55/90/25/949559025.db2.gz HNMXCCKUVKLDIC-JSGCOSHPSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H]1CCCC[C@@H]1OCC(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001576164574 949559045 /nfs/dbraw/zinc/55/90/45/949559045.db2.gz HNMXCCKUVKLDIC-JSGCOSHPSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2(CCF)CC2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576164893 949560106 /nfs/dbraw/zinc/56/01/06/949560106.db2.gz IEWVZEJNEDELPG-OLZOCXBDSA-N -1 1 388.451 1.257 20 0 GDADMM C[C@H](CN(C)C(=O)CC(C)(C)CC(F)F)Nc1nccnc1-c1nnn[n-]1 ZINC001574711890 949560358 /nfs/dbraw/zinc/56/03/58/949560358.db2.gz NNNMMEXVQFHGBK-SNVBAGLBSA-N -1 1 382.419 1.987 20 0 GDADMM C[C@H](CN(C)C(=O)CC(C)(C)CC(F)F)Nc1nccnc1-c1nn[n-]n1 ZINC001574711890 949560368 /nfs/dbraw/zinc/56/03/68/949560368.db2.gz NNNMMEXVQFHGBK-SNVBAGLBSA-N -1 1 382.419 1.987 20 0 GDADMM C[C@H](NC(=O)CC1CCCC1)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575270160 949576696 /nfs/dbraw/zinc/57/66/96/949576696.db2.gz YIYAIGSEGRTOLO-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](NC(=O)CC1CCCC1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575270160 949576712 /nfs/dbraw/zinc/57/67/12/949576712.db2.gz YIYAIGSEGRTOLO-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CC(=O)N(C)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1 ZINC001574475826 949577342 /nfs/dbraw/zinc/57/73/42/949577342.db2.gz CDKYACWLPDWZEU-GDBMZVCRSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@H](CC(=O)N(C)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1 ZINC001574475826 949577358 /nfs/dbraw/zinc/57/73/58/949577358.db2.gz CDKYACWLPDWZEU-GDBMZVCRSA-N -1 1 392.467 1.888 20 0 GDADMM CC(C)C[C@@H](C(=O)NCCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1ccccc1 ZINC001574124984 949582988 /nfs/dbraw/zinc/58/29/88/949582988.db2.gz MXAJKLBBAZWDNA-CQSZACIVSA-N -1 1 397.439 1.075 20 0 GDADMM C[C@H](NC(=O)CCCc1cccnc1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575270326 949586644 /nfs/dbraw/zinc/58/66/44/949586644.db2.gz CEQGARMOTZZBPS-STQMWFEESA-N -1 1 381.444 1.380 20 0 GDADMM C[C@H](NC(=O)CCCc1cccnc1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575270326 949586661 /nfs/dbraw/zinc/58/66/61/949586661.db2.gz CEQGARMOTZZBPS-STQMWFEESA-N -1 1 381.444 1.380 20 0 GDADMM C[C@@H]1CCCC[C@@H]1CC(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001576166790 949594550 /nfs/dbraw/zinc/59/45/50/949594550.db2.gz AHNHRBQTYLXZRH-ZIAGYGMSSA-N -1 1 388.476 1.106 20 0 GDADMM C[C@@H]1CCCC[C@@H]1CC(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001576166790 949594569 /nfs/dbraw/zinc/59/45/69/949594569.db2.gz AHNHRBQTYLXZRH-ZIAGYGMSSA-N -1 1 388.476 1.106 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2C=CC=CC=C2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575874155 949603390 /nfs/dbraw/zinc/60/33/90/949603390.db2.gz RSRUEFYEIGZZQI-UKRRQHHQSA-N -1 1 378.440 1.429 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574957552 949618232 /nfs/dbraw/zinc/61/82/32/949618232.db2.gz AXVZTMGUVRFBHY-SPKLELGKSA-N -1 1 378.440 1.551 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574957552 949618250 /nfs/dbraw/zinc/61/82/50/949618250.db2.gz AXVZTMGUVRFBHY-SPKLELGKSA-N -1 1 378.440 1.551 20 0 GDADMM C[C@@H]1CCCC[C@H]1CC(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001576167740 949618593 /nfs/dbraw/zinc/61/85/93/949618593.db2.gz FHINLKKRAHHLOB-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCCC[C@H]1CC(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001576167740 949618608 /nfs/dbraw/zinc/61/86/08/949618608.db2.gz FHINLKKRAHHLOB-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CC(=O)N(C)CCNc1ccnc(-c2nn[n-]n2)n1)c1ccccc1F ZINC001574476820 949621825 /nfs/dbraw/zinc/62/18/25/949621825.db2.gz HKWOJHXSSRKOSN-LBPRGKRZSA-N -1 1 384.419 1.282 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccsc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574957872 949638151 /nfs/dbraw/zinc/63/81/51/949638151.db2.gz BLKGXEPMHABERO-WCFLWFBJSA-N -1 1 384.469 1.463 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccsc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574957872 949638167 /nfs/dbraw/zinc/63/81/67/949638167.db2.gz BLKGXEPMHABERO-WCFLWFBJSA-N -1 1 384.469 1.463 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CCc1ccco1 ZINC001573815246 949652301 /nfs/dbraw/zinc/65/23/01/949652301.db2.gz HJEOVIYDHZTGCS-AWEZNQCLSA-N -1 1 384.444 1.825 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CCc1ccco1 ZINC001573815246 949652322 /nfs/dbraw/zinc/65/23/22/949652322.db2.gz HJEOVIYDHZTGCS-AWEZNQCLSA-N -1 1 384.444 1.825 20 0 GDADMM CC(C)CC(C)(C)C(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001574131971 949671352 /nfs/dbraw/zinc/67/13/52/949671352.db2.gz NACLTFYHRDQFBH-ZSOGYDGISA-N -1 1 384.488 1.527 20 0 GDADMM CC(C)CC(C)(C)C(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001574131971 949671371 /nfs/dbraw/zinc/67/13/71/949671371.db2.gz NACLTFYHRDQFBH-ZSOGYDGISA-N -1 1 384.488 1.527 20 0 GDADMM CC(C)CC(C)(C)C(=O)NC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCO1 ZINC001574131819 949671847 /nfs/dbraw/zinc/67/18/47/949671847.db2.gz LCMNEUCNJRQRTQ-CYBMUJFWSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)CC(C)(C)C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCO1 ZINC001574131819 949671858 /nfs/dbraw/zinc/67/18/58/949671858.db2.gz LCMNEUCNJRQRTQ-CYBMUJFWSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CCc2ccccc2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575877782 949673361 /nfs/dbraw/zinc/67/33/61/949673361.db2.gz NAPZYCOHNUFVHC-HOCLYGCPSA-N -1 1 392.467 1.763 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CCc2ccccc2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575877782 949673374 /nfs/dbraw/zinc/67/33/74/949673374.db2.gz NAPZYCOHNUFVHC-HOCLYGCPSA-N -1 1 392.467 1.763 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H]1C[C@@H]1C(F)F ZINC001573816716 949683057 /nfs/dbraw/zinc/68/30/57/949683057.db2.gz UVJSPJAPGYKWQT-ATZCPNFKSA-N -1 1 380.403 1.501 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H]1C[C@@H]1C(F)F ZINC001573816716 949683073 /nfs/dbraw/zinc/68/30/73/949683073.db2.gz UVJSPJAPGYKWQT-ATZCPNFKSA-N -1 1 380.403 1.501 20 0 GDADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)CCCc1cccnc1 ZINC001575274285 949684828 /nfs/dbraw/zinc/68/48/28/949684828.db2.gz ZWXPRGJUFAWIKD-OLZOCXBDSA-N -1 1 381.444 1.380 20 0 GDADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)CCCc1cccnc1 ZINC001575274285 949684848 /nfs/dbraw/zinc/68/48/48/949684848.db2.gz ZWXPRGJUFAWIKD-OLZOCXBDSA-N -1 1 381.444 1.380 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccsc1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574958966 949700122 /nfs/dbraw/zinc/70/01/22/949700122.db2.gz OSSCDQGWHVTPJQ-WCFLWFBJSA-N -1 1 384.469 1.686 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccsc1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574958966 949700138 /nfs/dbraw/zinc/70/01/38/949700138.db2.gz OSSCDQGWHVTPJQ-WCFLWFBJSA-N -1 1 384.469 1.686 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CC[C@H]1CCOC1 ZINC001573818034 949711342 /nfs/dbraw/zinc/71/13/42/949711342.db2.gz FESAEZKOEZUPSP-JSGCOSHPSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CC[C@H]1CCOC1 ZINC001573818034 949711352 /nfs/dbraw/zinc/71/13/52/949711352.db2.gz FESAEZKOEZUPSP-JSGCOSHPSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574959417 949713130 /nfs/dbraw/zinc/71/31/30/949713130.db2.gz RRCAJNBIOVNFTQ-IAMHBRQHSA-N -1 1 392.467 1.799 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574959417 949713147 /nfs/dbraw/zinc/71/31/47/949713147.db2.gz RRCAJNBIOVNFTQ-IAMHBRQHSA-N -1 1 392.467 1.799 20 0 GDADMM C[C@@H]1CCCC[C@@H]1C(=O)NC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576170587 949724507 /nfs/dbraw/zinc/72/45/07/949724507.db2.gz MCOVPFGABIKWJU-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCCC[C@@H]1C(=O)NC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576170587 949724522 /nfs/dbraw/zinc/72/45/22/949724522.db2.gz MCOVPFGABIKWJU-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCCC[C@@H]1CC(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576170596 949729610 /nfs/dbraw/zinc/72/96/10/949729610.db2.gz MCWMUKMAXMEJSJ-TUVASFSCSA-N -1 1 384.488 1.602 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001574136306 949743331 /nfs/dbraw/zinc/74/33/31/949743331.db2.gz OCZRCKYKNCMAEL-IJEWVQPXSA-N -1 1 384.488 1.766 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001574136306 949743351 /nfs/dbraw/zinc/74/33/51/949743351.db2.gz OCZRCKYKNCMAEL-IJEWVQPXSA-N -1 1 384.488 1.766 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574480435 949747354 /nfs/dbraw/zinc/74/73/54/949747354.db2.gz IJXTZFABPPTHMD-GDBMZVCRSA-N -1 1 392.467 1.888 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C[C@](C)(O)C1CC1 ZINC001573819262 949750164 /nfs/dbraw/zinc/75/01/64/949750164.db2.gz RSXIRHZOPFASFQ-UGSOOPFHSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@](C)(O)C1CC1 ZINC001573819262 949750183 /nfs/dbraw/zinc/75/01/83/949750183.db2.gz RSXIRHZOPFASFQ-UGSOOPFHSA-N -1 1 388.476 1.151 20 0 GDADMM C[C@@H](NC(=O)CCc1ccccc1F)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575277512 949752260 /nfs/dbraw/zinc/75/22/60/949752260.db2.gz QOVJCUTXHKJFNX-VXGBXAGGSA-N -1 1 384.419 1.734 20 0 GDADMM C[C@@H](NC(=O)CCc1ccccc1F)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575277512 949752273 /nfs/dbraw/zinc/75/22/73/949752273.db2.gz QOVJCUTXHKJFNX-VXGBXAGGSA-N -1 1 384.419 1.734 20 0 GDADMM C[C@H]1CCCC[C@@H]1CC(=O)NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001576171740 949776287 /nfs/dbraw/zinc/77/62/87/949776287.db2.gz RNIDEVZIDFONSM-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccncc1 ZINC001574481519 949783331 /nfs/dbraw/zinc/78/33/31/949783331.db2.gz QSIZGZLPLNNTGT-JSGCOSHPSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccncc1 ZINC001574481519 949783351 /nfs/dbraw/zinc/78/33/51/949783351.db2.gz QSIZGZLPLNNTGT-JSGCOSHPSA-N -1 1 379.428 1.258 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)Cc1cccnc1 ZINC001573822171 949783396 /nfs/dbraw/zinc/78/33/96/949783396.db2.gz GDMCRFKVCCXBRS-CYBMUJFWSA-N -1 1 381.444 1.237 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)Cc1cccnc1 ZINC001573822171 949783415 /nfs/dbraw/zinc/78/34/15/949783415.db2.gz GDMCRFKVCCXBRS-CYBMUJFWSA-N -1 1 381.444 1.237 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccncc1 ZINC001574481548 949787085 /nfs/dbraw/zinc/78/70/85/949787085.db2.gz RLEBYCYXTZDCDJ-GXTWGEPZSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccncc1 ZINC001574481548 949787102 /nfs/dbraw/zinc/78/71/02/949787102.db2.gz RLEBYCYXTZDCDJ-GXTWGEPZSA-N -1 1 379.428 1.258 20 0 GDADMM CC1(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(c2cncc(-c4nnn[n-]4)n2)C3)CC=CC1 ZINC001575560822 949796957 /nfs/dbraw/zinc/79/69/57/949796957.db2.gz VEBJODSVSBGHIK-IHRRRGAJSA-N -1 1 380.456 1.487 20 0 GDADMM CC1(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(c2cncc(-c4nn[n-]n4)n2)C3)CC=CC1 ZINC001575560822 949796965 /nfs/dbraw/zinc/79/69/65/949796965.db2.gz VEBJODSVSBGHIK-IHRRRGAJSA-N -1 1 380.456 1.487 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001574481809 949806414 /nfs/dbraw/zinc/80/64/14/949806414.db2.gz VTXFHQNXTCWDRK-UWVGGRQHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001574481809 949806436 /nfs/dbraw/zinc/80/64/36/949806436.db2.gz VTXFHQNXTCWDRK-UWVGGRQHSA-N -1 1 384.366 1.282 20 0 GDADMM CCCN(C(=O)[C@H](C)N[C@@H](Cc1ccccc1)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC001589658750 949827827 /nfs/dbraw/zinc/82/78/27/949827827.db2.gz FWMHCQZSZVPWGY-XIRDDKMYSA-N -1 1 396.509 1.086 20 0 GDADMM CC1(C(=O)N[C@@H]2CCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)CC(F)(F)C1 ZINC001575562785 949834200 /nfs/dbraw/zinc/83/42/00/949834200.db2.gz IRDCYZBSUAGHBW-GHMZBOCLSA-N -1 1 392.414 1.789 20 0 GDADMM CC1(C(=O)N[C@@H]2CCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)CC(F)(F)C1 ZINC001575562785 949834222 /nfs/dbraw/zinc/83/42/22/949834222.db2.gz IRDCYZBSUAGHBW-GHMZBOCLSA-N -1 1 392.414 1.789 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)C1CC1 ZINC001574483685 949838254 /nfs/dbraw/zinc/83/82/54/949838254.db2.gz IKQKQUYIMZYECA-DUVNUKRYSA-N -1 1 382.472 1.520 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)C1CC1 ZINC001574483685 949838273 /nfs/dbraw/zinc/83/82/73/949838273.db2.gz IKQKQUYIMZYECA-DUVNUKRYSA-N -1 1 382.472 1.520 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2cc(Cl)c[nH]2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575884293 949839271 /nfs/dbraw/zinc/83/92/71/949839271.db2.gz IQJWBUNAJVZTOQ-ONGXEEELSA-N -1 1 387.835 1.426 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2cc(Cl)c[nH]2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575884293 949839300 /nfs/dbraw/zinc/83/93/00/949839300.db2.gz IQJWBUNAJVZTOQ-ONGXEEELSA-N -1 1 387.835 1.426 20 0 GDADMM C[C@H](CNC(=O)c1c(F)cc(F)cc1F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574966479 949847375 /nfs/dbraw/zinc/84/73/75/949847375.db2.gz ZFVXYDGDACGEJF-SSDOTTSWSA-N -1 1 378.318 1.304 20 0 GDADMM C[C@H](CNC(=O)c1c(F)cc(F)cc1F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574966479 949847399 /nfs/dbraw/zinc/84/73/99/949847399.db2.gz ZFVXYDGDACGEJF-SSDOTTSWSA-N -1 1 378.318 1.304 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1 ZINC001574141292 949850199 /nfs/dbraw/zinc/85/01/99/949850199.db2.gz SPNPGQBBHZFATK-XNISGKROSA-N -1 1 384.488 1.955 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1 ZINC001574141292 949850217 /nfs/dbraw/zinc/85/02/17/949850217.db2.gz SPNPGQBBHZFATK-XNISGKROSA-N -1 1 384.488 1.955 20 0 GDADMM CC(C)(C)C1CC(C(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573824465 949854410 /nfs/dbraw/zinc/85/44/10/949854410.db2.gz GDVPDDUGGFTKLF-JXQTWKCFSA-N -1 1 384.488 1.554 20 0 GDADMM C[C@H](CC(=O)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)c1ccccc1 ZINC001574484080 949862288 /nfs/dbraw/zinc/86/22/88/949862288.db2.gz SXJAMHOBUNFVPK-CQSZACIVSA-N -1 1 378.440 1.499 20 0 GDADMM C[C@@H](CC(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)c1ccccc1 ZINC001574484321 949875446 /nfs/dbraw/zinc/87/54/46/949875446.db2.gz ZBSOFNHYNPZONI-AWEZNQCLSA-N -1 1 378.440 1.499 20 0 GDADMM C[C@@H](CC(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)c1ccccc1 ZINC001574484321 949875477 /nfs/dbraw/zinc/87/54/77/949875477.db2.gz ZBSOFNHYNPZONI-AWEZNQCLSA-N -1 1 378.440 1.499 20 0 GDADMM CC(C)(C)C1CC(C(=O)N2CCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001573825450 949879932 /nfs/dbraw/zinc/87/99/32/949879932.db2.gz WDRRDSUNBSPJQY-RUXDESIVSA-N -1 1 384.488 1.554 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)c1ccco1 ZINC001574484649 949891384 /nfs/dbraw/zinc/89/13/84/949891384.db2.gz LKMKLHAFKSRPJV-CHWSQXEVSA-N -1 1 382.428 1.268 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccncc2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576178723 949896542 /nfs/dbraw/zinc/89/65/42/949896542.db2.gz CSCNJPFCNNAEGI-JSGCOSHPSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccncc2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576178723 949896560 /nfs/dbraw/zinc/89/65/60/949896560.db2.gz CSCNJPFCNNAEGI-JSGCOSHPSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001574484707 949899697 /nfs/dbraw/zinc/89/96/97/949899697.db2.gz MJSQRRYDGLEJLS-VHSXEESVSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574484707 949899706 /nfs/dbraw/zinc/89/97/06/949899706.db2.gz MJSQRRYDGLEJLS-VHSXEESVSA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)(C)/C=C/C(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@@]2(C)C1 ZINC001573827533 949919383 /nfs/dbraw/zinc/91/93/83/949919383.db2.gz MDSIABOJLKCILR-RRPBKPHYSA-N -1 1 382.472 1.544 20 0 GDADMM CC(C)(C)/C=C/C(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@]2(C)C1 ZINC001573827533 949919400 /nfs/dbraw/zinc/91/94/00/949919400.db2.gz MDSIABOJLKCILR-RRPBKPHYSA-N -1 1 382.472 1.544 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001574485305 949926341 /nfs/dbraw/zinc/92/63/41/949926341.db2.gz WVTTUYWXVKRUJI-KGLIPLIRSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574485305 949926359 /nfs/dbraw/zinc/92/63/59/949926359.db2.gz WVTTUYWXVKRUJI-KGLIPLIRSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1)c1ccncc1 ZINC001574487667 949932415 /nfs/dbraw/zinc/93/24/15/949932415.db2.gz AVGBFZJRGVKHPI-QEJZJMRPSA-N -1 1 391.439 1.035 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1)c1ccncc1 ZINC001574487667 949932427 /nfs/dbraw/zinc/93/24/27/949932427.db2.gz AVGBFZJRGVKHPI-QEJZJMRPSA-N -1 1 391.439 1.035 20 0 GDADMM C[C@H](CN(C)C(=O)COc1ccc(F)cc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574726518 949938926 /nfs/dbraw/zinc/93/89/26/949938926.db2.gz JRDOWKPADBYFCL-LLVKDONJSA-N -1 1 386.391 1.134 20 0 GDADMM C[C@H](CN(C)C(=O)COc1ccc(F)cc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574726518 949938950 /nfs/dbraw/zinc/93/89/50/949938950.db2.gz JRDOWKPADBYFCL-LLVKDONJSA-N -1 1 386.391 1.134 20 0 GDADMM C[C@@H](CC(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)n1cccc1 ZINC001574489680 949967757 /nfs/dbraw/zinc/96/77/57/949967757.db2.gz KQOQYPOTBACLOQ-GXTWGEPZSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](CC(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)n1cccc1 ZINC001574489680 949967775 /nfs/dbraw/zinc/96/77/75/949967775.db2.gz KQOQYPOTBACLOQ-GXTWGEPZSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC001574490014 949981797 /nfs/dbraw/zinc/98/17/97/949981797.db2.gz MYQRGHRNFMBCSY-AGIUHOORSA-N -1 1 380.412 1.233 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC001574490014 949981808 /nfs/dbraw/zinc/98/18/08/949981808.db2.gz MYQRGHRNFMBCSY-AGIUHOORSA-N -1 1 380.412 1.233 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001574490348 949988852 /nfs/dbraw/zinc/98/88/52/949988852.db2.gz QCUPNNFKJGUCOI-WCABBAIRSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001574490348 949988867 /nfs/dbraw/zinc/98/88/67/949988867.db2.gz QCUPNNFKJGUCOI-WCABBAIRSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001574490459 949994647 /nfs/dbraw/zinc/99/46/47/949994647.db2.gz SBHKPVRZOZNVEC-GUBZILKMSA-N -1 1 382.350 1.035 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001574490459 949994663 /nfs/dbraw/zinc/99/46/63/949994663.db2.gz SBHKPVRZOZNVEC-GUBZILKMSA-N -1 1 382.350 1.035 20 0 GDADMM C[C@@H](NC(=O)Cc1ccccc1)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575289655 950002459 /nfs/dbraw/zinc/00/24/59/950002459.db2.gz BABDDSNZHKCPSJ-ZBFHGGJFSA-N -1 1 392.467 1.621 20 0 GDADMM C[C@@H](NC(=O)Cc1ccccc1)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575289655 950002481 /nfs/dbraw/zinc/00/24/81/950002481.db2.gz BABDDSNZHKCPSJ-ZBFHGGJFSA-N -1 1 392.467 1.621 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001574490703 950014847 /nfs/dbraw/zinc/01/48/47/950014847.db2.gz XNBYKTRIIBQFRY-UMVBOHGHSA-N -1 1 381.444 1.368 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574490703 950014870 /nfs/dbraw/zinc/01/48/70/950014870.db2.gz XNBYKTRIIBQFRY-UMVBOHGHSA-N -1 1 381.444 1.368 20 0 GDADMM C[C@H]1CCN(C(=O)C2CC(C)(C)C2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576181697 950019859 /nfs/dbraw/zinc/01/98/59/950019859.db2.gz JDPXVEJIAAEPOT-JSGCOSHPSA-N -1 1 384.488 1.411 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001574490842 950021660 /nfs/dbraw/zinc/02/16/60/950021660.db2.gz ZYWXWRNKHQLGGR-VNHYZAJKSA-N -1 1 381.444 1.368 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001574490842 950021680 /nfs/dbraw/zinc/02/16/80/950021680.db2.gz ZYWXWRNKHQLGGR-VNHYZAJKSA-N -1 1 381.444 1.368 20 0 GDADMM CC1(C(=O)NC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C2CC2)CC(F)(F)C1 ZINC001575574806 950030292 /nfs/dbraw/zinc/03/02/92/950030292.db2.gz ZPCSXKHMONQGLQ-LLVKDONJSA-N -1 1 378.387 1.399 20 0 GDADMM CC1(C(=O)NC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C2CC2)CC(F)(F)C1 ZINC001575574806 950030315 /nfs/dbraw/zinc/03/03/15/950030315.db2.gz ZPCSXKHMONQGLQ-LLVKDONJSA-N -1 1 378.387 1.399 20 0 GDADMM C[C@H]1CCN(C(=O)COC(C)(C)C)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576182099 950031523 /nfs/dbraw/zinc/03/15/23/950031523.db2.gz LCBKFWOGXOJDSV-STQMWFEESA-N -1 1 388.476 1.368 20 0 GDADMM C[C@H]1CCN(C(=O)COC(C)(C)C)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576182099 950031544 /nfs/dbraw/zinc/03/15/44/950031544.db2.gz LCBKFWOGXOJDSV-STQMWFEESA-N -1 1 388.476 1.368 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ccc2c(c1)CCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574730404 950033182 /nfs/dbraw/zinc/03/31/82/950033182.db2.gz RXLMMEHSMSCMTD-CYBMUJFWSA-N -1 1 392.467 1.647 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ccc2c(c1)CCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574730404 950033201 /nfs/dbraw/zinc/03/32/01/950033201.db2.gz RXLMMEHSMSCMTD-CYBMUJFWSA-N -1 1 392.467 1.647 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1cccc(Cl)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574730403 950034266 /nfs/dbraw/zinc/03/42/66/950034266.db2.gz RXCDNJLMAHUDKP-NSHDSACASA-N -1 1 386.847 1.234 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(CCF)CC2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576182045 950035913 /nfs/dbraw/zinc/03/59/13/950035913.db2.gz KRSNWDUNFWDPEE-OLZOCXBDSA-N -1 1 388.451 1.115 20 0 GDADMM C[C@@H]1CCN(C(=O)COC(C)(C)C)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576182093 950036443 /nfs/dbraw/zinc/03/64/43/950036443.db2.gz LCBKFWOGXOJDSV-OLZOCXBDSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@@H]1CCN(C(=O)COC(C)(C)C)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576182093 950036465 /nfs/dbraw/zinc/03/64/65/950036465.db2.gz LCBKFWOGXOJDSV-OLZOCXBDSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1cnoc1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574730912 950042119 /nfs/dbraw/zinc/04/21/19/950042119.db2.gz SQNGPFNABRAMBY-ZETCQYMHSA-N -1 1 382.837 1.466 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ccc(Cl)s1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574730980 950043621 /nfs/dbraw/zinc/04/36/21/950043621.db2.gz UVELFOIDBFUWRE-SECBINFHSA-N -1 1 392.876 1.295 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2)C1CC1 ZINC001574491838 950052015 /nfs/dbraw/zinc/05/20/15/950052015.db2.gz GSCJNZAFHISDDB-WFASDCNBSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2)C1CC1 ZINC001574491838 950052037 /nfs/dbraw/zinc/05/20/37/950052037.db2.gz GSCJNZAFHISDDB-WFASDCNBSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccsn2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576183055 950075045 /nfs/dbraw/zinc/07/50/45/950075045.db2.gz QNUBFDLXCDGHIW-GXFFZTMASA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccsn2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576183055 950075070 /nfs/dbraw/zinc/07/50/70/950075070.db2.gz QNUBFDLXCDGHIW-GXFFZTMASA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ccoc2Cl)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575893873 950093530 /nfs/dbraw/zinc/09/35/30/950093530.db2.gz BRHDKRMAZSRSRT-KOLCDFICSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ccoc2Cl)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575893873 950093552 /nfs/dbraw/zinc/09/35/52/950093552.db2.gz BRHDKRMAZSRSRT-KOLCDFICSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](C)N(C)c1cnc(-c2nnn[n-]2)cn1)c1ccncc1 ZINC001574492560 950094389 /nfs/dbraw/zinc/09/43/89/950094389.db2.gz BGYHMCGLDSBWIY-CHWSQXEVSA-N -1 1 381.444 1.186 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1)c1ccncc1 ZINC001574492560 950094410 /nfs/dbraw/zinc/09/44/10/950094410.db2.gz BGYHMCGLDSBWIY-CHWSQXEVSA-N -1 1 381.444 1.186 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cccn2C)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576183699 950101998 /nfs/dbraw/zinc/10/19/98/950101998.db2.gz SRIVBZRPMVWEEJ-DOMZBBRYSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cccn2C)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576183699 950102017 /nfs/dbraw/zinc/10/20/17/950102017.db2.gz SRIVBZRPMVWEEJ-DOMZBBRYSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@@]1(C(=O)NCC2(Nc3nccnc3-c3nnn[n-]3)CC2)CCc2ccccc21 ZINC001575582327 950110833 /nfs/dbraw/zinc/11/08/33/950110833.db2.gz IYNORMJSCIUUQF-LJQANCHMSA-N -1 1 390.451 1.622 20 0 GDADMM C[C@@]1(C(=O)NCC2(Nc3nccnc3-c3nn[n-]n3)CC2)CCc2ccccc21 ZINC001575582327 950110868 /nfs/dbraw/zinc/11/08/68/950110868.db2.gz IYNORMJSCIUUQF-LJQANCHMSA-N -1 1 390.451 1.622 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(CF)CCC2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576184128 950119040 /nfs/dbraw/zinc/11/90/40/950119040.db2.gz UKXVSNWUEIULRL-CHWSQXEVSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(CF)CCC2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576184128 950119051 /nfs/dbraw/zinc/11/90/51/950119051.db2.gz UKXVSNWUEIULRL-CHWSQXEVSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccn(C)c2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576184341 950122975 /nfs/dbraw/zinc/12/29/75/950122975.db2.gz WCYZDICVZQEMAK-GXTWGEPZSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccn(C)c2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576184341 950122999 /nfs/dbraw/zinc/12/29/99/950122999.db2.gz WCYZDICVZQEMAK-GXTWGEPZSA-N -1 1 381.444 1.348 20 0 GDADMM CC(C)(C)CC(C)(C)C(=O)NC[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001573839750 950133092 /nfs/dbraw/zinc/13/30/92/950133092.db2.gz WIVUEFZHMNAXSO-NSHDSACASA-N -1 1 376.465 1.008 20 0 GDADMM CC(C)(C)CC(C)(C)C(=O)NC[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001573839750 950133109 /nfs/dbraw/zinc/13/31/09/950133109.db2.gz WIVUEFZHMNAXSO-NSHDSACASA-N -1 1 376.465 1.008 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cc[nH]c2)[C@@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576184591 950134493 /nfs/dbraw/zinc/13/44/93/950134493.db2.gz WRXUUKJMPLUXJE-TZMCWYRMSA-N -1 1 381.444 1.150 20 0 GDADMM CC1(C(=O)NCC2(Nc3cnc(-c4nnn[n-]4)cn3)CCCC2)CCOCC1 ZINC001575583673 950149696 /nfs/dbraw/zinc/14/96/96/950149696.db2.gz TWEXRCUIQWSSKM-UHFFFAOYSA-N -1 1 386.460 1.314 20 0 GDADMM CC1(C(=O)NCC2(Nc3cnc(-c4nn[n-]n4)cn3)CCCC2)CCOCC1 ZINC001575583673 950149723 /nfs/dbraw/zinc/14/97/23/950149723.db2.gz TWEXRCUIQWSSKM-UHFFFAOYSA-N -1 1 386.460 1.314 20 0 GDADMM C[C@H]1CCN(C(=O)c2cccnc2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576190349 950158844 /nfs/dbraw/zinc/15/88/44/950158844.db2.gz AJWXNVROXBYEGB-JSGCOSHPSA-N -1 1 379.428 1.262 20 0 GDADMM C[C@H]1CCN(C(=O)c2cccnc2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576190349 950158855 /nfs/dbraw/zinc/15/88/55/950158855.db2.gz AJWXNVROXBYEGB-JSGCOSHPSA-N -1 1 379.428 1.262 20 0 GDADMM C[C@H](CC(=O)NC1CC(CNc2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001574494504 950165348 /nfs/dbraw/zinc/16/53/48/950165348.db2.gz ZYAUEGLZRPNNQT-PNESKVBLSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](CC(=O)NC1CC(CNc2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001574494504 950165361 /nfs/dbraw/zinc/16/53/61/950165361.db2.gz ZYAUEGLZRPNNQT-PNESKVBLSA-N -1 1 382.428 1.750 20 0 GDADMM CC1(C(=O)NCC2(Nc3cncc(-c4nnn[n-]4)n3)CCCC2)CCOCC1 ZINC001575584588 950175025 /nfs/dbraw/zinc/17/50/25/950175025.db2.gz YEHPERAWHIHLCX-UHFFFAOYSA-N -1 1 386.460 1.314 20 0 GDADMM CC1(C(=O)NCC2(Nc3cncc(-c4nn[n-]n4)n3)CCCC2)CCOCC1 ZINC001575584588 950175040 /nfs/dbraw/zinc/17/50/40/950175040.db2.gz YEHPERAWHIHLCX-UHFFFAOYSA-N -1 1 386.460 1.314 20 0 GDADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1C=CC=CC=C1 ZINC001574154661 950175434 /nfs/dbraw/zinc/17/54/34/950175434.db2.gz FSTZWNDFLFOUFE-HNNXBMFYSA-N -1 1 380.456 1.320 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H](C)C(F)(F)F ZINC001574154621 950175643 /nfs/dbraw/zinc/17/56/43/950175643.db2.gz FKUCGUGWWBBSAT-UWVGGRQHSA-N -1 1 386.382 1.798 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H](C)C(F)(F)F ZINC001574154621 950175652 /nfs/dbraw/zinc/17/56/52/950175652.db2.gz FKUCGUGWWBBSAT-UWVGGRQHSA-N -1 1 386.382 1.798 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2occc2Cl)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575899831 950184579 /nfs/dbraw/zinc/18/45/79/950184579.db2.gz ADLRARSKLVAWSL-MWLCHTKSSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2occc2Cl)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575899831 950184588 /nfs/dbraw/zinc/18/45/88/950184588.db2.gz ADLRARSKLVAWSL-MWLCHTKSSA-N -1 1 388.819 1.690 20 0 GDADMM CC(C)[C@@H](CNC(=O)C[C@H](C)c1ccco1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574494873 950188680 /nfs/dbraw/zinc/18/86/80/950188680.db2.gz PNYQGGSMLXLTKL-QWHCGFSZSA-N -1 1 384.444 1.996 20 0 GDADMM CC(C)[C@@H](CNC(=O)C[C@H](C)c1ccco1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574494873 950188691 /nfs/dbraw/zinc/18/86/91/950188691.db2.gz PNYQGGSMLXLTKL-QWHCGFSZSA-N -1 1 384.444 1.996 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1 ZINC001573844534 950197570 /nfs/dbraw/zinc/19/75/70/950197570.db2.gz BCFZJDZBOIFFCQ-XDQVBPFNSA-N -1 1 382.472 1.519 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1 ZINC001573844534 950197585 /nfs/dbraw/zinc/19/75/85/950197585.db2.gz BCFZJDZBOIFFCQ-XDQVBPFNSA-N -1 1 382.472 1.519 20 0 GDADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCCC12CC2 ZINC001574156108 950224059 /nfs/dbraw/zinc/22/40/59/950224059.db2.gz WXLYHQUKULXRAN-KBPBESRZSA-N -1 1 384.488 1.602 20 0 GDADMM CC1(C(=O)NC[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC(F)(F)C1 ZINC001575586490 950225599 /nfs/dbraw/zinc/22/55/99/950225599.db2.gz JHIRKHMMWIZDKC-JTQLQIEISA-N -1 1 378.387 1.035 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)Cc1cccnc1 ZINC001574156126 950228901 /nfs/dbraw/zinc/22/89/01/950228901.db2.gz XCXNLANZQMTGIQ-AWEZNQCLSA-N -1 1 381.444 1.237 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)Cc1cccnc1 ZINC001574156126 950228918 /nfs/dbraw/zinc/22/89/18/950228918.db2.gz XCXNLANZQMTGIQ-AWEZNQCLSA-N -1 1 381.444 1.237 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C1(C(F)F)CC1 ZINC001574157393 950232832 /nfs/dbraw/zinc/23/28/32/950232832.db2.gz AIECHLQELWKHJZ-JTQLQIEISA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C1(C(F)F)CC1 ZINC001574157393 950232852 /nfs/dbraw/zinc/23/28/52/950232852.db2.gz AIECHLQELWKHJZ-JTQLQIEISA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573845588 950237294 /nfs/dbraw/zinc/23/72/94/950237294.db2.gz HWNKLOBTXVVOOH-BFHYXJOUSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C[C@H]1CCCCO1 ZINC001574157884 950260857 /nfs/dbraw/zinc/26/08/57/950260857.db2.gz KMZRFCJKISXETJ-ZIAGYGMSSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@H]1CCCCO1 ZINC001574157884 950260878 /nfs/dbraw/zinc/26/08/78/950260878.db2.gz KMZRFCJKISXETJ-ZIAGYGMSSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@@]1(C(=O)NCCC2(CNc3cncc(-c4nnn[n-]4)n3)CC2)CCCOC1 ZINC001575592436 950288873 /nfs/dbraw/zinc/28/88/73/950288873.db2.gz ARIGQNMBLMLZQS-QGZVFWFLSA-N -1 1 386.460 1.172 20 0 GDADMM C[C@@]1(C(=O)NCCC2(CNc3cncc(-c4nn[n-]n4)n3)CC2)CCCOC1 ZINC001575592436 950288885 /nfs/dbraw/zinc/28/88/85/950288885.db2.gz ARIGQNMBLMLZQS-QGZVFWFLSA-N -1 1 386.460 1.172 20 0 GDADMM C[C@H]1CCN(C(=O)c2cncs2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576193308 950289580 /nfs/dbraw/zinc/28/95/80/950289580.db2.gz SLQAMUZHGJLVKF-WDEREUQCSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H]1CCN(C(=O)c2cncs2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576193308 950289597 /nfs/dbraw/zinc/28/95/97/950289597.db2.gz SLQAMUZHGJLVKF-WDEREUQCSA-N -1 1 385.457 1.324 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccc(Cl)[nH]1 ZINC001574158790 950291812 /nfs/dbraw/zinc/29/18/12/950291812.db2.gz SPVBZASNHQCNNN-JTQLQIEISA-N -1 1 389.851 1.895 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccc(Cl)[nH]1 ZINC001574158790 950291833 /nfs/dbraw/zinc/29/18/33/950291833.db2.gz SPVBZASNHQCNNN-JTQLQIEISA-N -1 1 389.851 1.895 20 0 GDADMM CC(C)(C)OC(=O)N(CCC(=O)n1ncc(-c2nn[n-]n2)c1N)CC1CC1 ZINC001573851849 950297204 /nfs/dbraw/zinc/29/72/04/950297204.db2.gz AIIHKEJQFJSAAX-UHFFFAOYSA-N -1 1 376.421 1.323 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@]1(C)CCCOC1 ZINC001574159326 950299908 /nfs/dbraw/zinc/29/99/08/950299908.db2.gz WILUKWWGUUGWAU-UGSOOPFHSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@]1(C)CCCOC1 ZINC001574159326 950299922 /nfs/dbraw/zinc/29/99/22/950299922.db2.gz WILUKWWGUUGWAU-UGSOOPFHSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccc(F)cn1 ZINC001574159405 950307371 /nfs/dbraw/zinc/30/73/71/950307371.db2.gz HCXMRHLGMAMZMO-GFCCVEGCSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccc(F)cn1 ZINC001574159405 950307390 /nfs/dbraw/zinc/30/73/90/950307390.db2.gz HCXMRHLGMAMZMO-GFCCVEGCSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H](C)C(F)(F)F ZINC001574159699 950309489 /nfs/dbraw/zinc/30/94/89/950309489.db2.gz YBRDSZBLLMKHHN-NXEZZACHSA-N -1 1 386.382 1.798 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H](C)C(F)(F)F ZINC001574159699 950309510 /nfs/dbraw/zinc/30/95/10/950309510.db2.gz YBRDSZBLLMKHHN-NXEZZACHSA-N -1 1 386.382 1.798 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001574501311 950330411 /nfs/dbraw/zinc/33/04/11/950330411.db2.gz CWKOEXBECNHGEP-VHSXEESVSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001574501311 950330434 /nfs/dbraw/zinc/33/04/34/950330434.db2.gz CWKOEXBECNHGEP-VHSXEESVSA-N -1 1 384.366 1.188 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCc1ccoc1 ZINC001574160635 950340990 /nfs/dbraw/zinc/34/09/90/950340990.db2.gz PPVRYLIGAMSFKW-AWEZNQCLSA-N -1 1 384.444 1.825 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCc1ccoc1 ZINC001574160635 950341008 /nfs/dbraw/zinc/34/10/08/950341008.db2.gz PPVRYLIGAMSFKW-AWEZNQCLSA-N -1 1 384.444 1.825 20 0 GDADMM CC1(C(=O)NC[C@]23CCC[C@H]2N(c2ccc(-c4nnn[n-]4)nn2)CC3)CCC1 ZINC001575596287 950372717 /nfs/dbraw/zinc/37/27/17/950372717.db2.gz COAUFVHEAKELBU-AUUYWEPGSA-N -1 1 382.472 1.712 20 0 GDADMM CC1(C(=O)NC[C@]23CCC[C@H]2N(c2ccc(-c4nn[n-]n4)nn2)CC3)CCC1 ZINC001575596287 950372737 /nfs/dbraw/zinc/37/27/37/950372737.db2.gz COAUFVHEAKELBU-AUUYWEPGSA-N -1 1 382.472 1.712 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1)c1ccccc1 ZINC001574502442 950379648 /nfs/dbraw/zinc/37/96/48/950379648.db2.gz NPPAUNRVMUKJIT-ZBFHGGJFSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1)c1ccccc1 ZINC001574502442 950379667 /nfs/dbraw/zinc/37/96/67/950379667.db2.gz NPPAUNRVMUKJIT-ZBFHGGJFSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001574502835 950390593 /nfs/dbraw/zinc/39/05/93/950390593.db2.gz QXBKUIXHPNIISO-NXEZZACHSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574502835 950390610 /nfs/dbraw/zinc/39/06/10/950390610.db2.gz QXBKUIXHPNIISO-NXEZZACHSA-N -1 1 384.366 1.188 20 0 GDADMM CC(C)CC1(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCCC1 ZINC001574162872 950410710 /nfs/dbraw/zinc/41/07/10/950410710.db2.gz KUMJOQBJVFTVBE-AWEZNQCLSA-N -1 1 384.488 1.698 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)Cc1cccnc1 ZINC001574163120 950413497 /nfs/dbraw/zinc/41/34/97/950413497.db2.gz PRIPUHXQWBJWNK-AWEZNQCLSA-N -1 1 381.444 1.237 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)Cc1cccnc1 ZINC001574163120 950413510 /nfs/dbraw/zinc/41/35/10/950413510.db2.gz PRIPUHXQWBJWNK-AWEZNQCLSA-N -1 1 381.444 1.237 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CCn1cccc1 ZINC001574163375 950422897 /nfs/dbraw/zinc/42/28/97/950422897.db2.gz STEXWEWXOMSQBV-AWEZNQCLSA-N -1 1 383.460 1.491 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CCn1cccc1 ZINC001574163375 950422907 /nfs/dbraw/zinc/42/29/07/950422907.db2.gz STEXWEWXOMSQBV-AWEZNQCLSA-N -1 1 383.460 1.491 20 0 GDADMM CC1(C(=O)N[C@@H]2CCCC[C@H]2Nc2cnc(-c3nnn[n-]3)cn2)CCOCC1 ZINC001575598985 950423975 /nfs/dbraw/zinc/42/39/75/950423975.db2.gz AFUBGKLKUMISJD-CHWSQXEVSA-N -1 1 386.460 1.313 20 0 GDADMM CC1(C(=O)N[C@@H]2CCCC[C@H]2Nc2cnc(-c3nn[n-]n3)cn2)CCOCC1 ZINC001575598985 950423993 /nfs/dbraw/zinc/42/39/93/950423993.db2.gz AFUBGKLKUMISJD-CHWSQXEVSA-N -1 1 386.460 1.313 20 0 GDADMM CC1(C(=O)N[C@@H]2CCCC[C@H]2Nc2nccnc2-c2nnn[n-]2)CCOCC1 ZINC001575599607 950433599 /nfs/dbraw/zinc/43/35/99/950433599.db2.gz NLKFFWBBLJCFMM-CHWSQXEVSA-N -1 1 386.460 1.313 20 0 GDADMM CC1(C(=O)N[C@@H]2CCCC[C@H]2Nc2nccnc2-c2nn[n-]n2)CCOCC1 ZINC001575599607 950433615 /nfs/dbraw/zinc/43/36/15/950433615.db2.gz NLKFFWBBLJCFMM-CHWSQXEVSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc2c([nH]1)CCCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574750698 950439439 /nfs/dbraw/zinc/43/94/39/950439439.db2.gz GBSVEZJHKUAYJE-NSHDSACASA-N -1 1 381.444 1.436 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc2c([nH]1)CCCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574750698 950439452 /nfs/dbraw/zinc/43/94/52/950439452.db2.gz GBSVEZJHKUAYJE-NSHDSACASA-N -1 1 381.444 1.436 20 0 GDADMM C[C@H](CC(=O)NCCN(c1cnc(-c2nnn[n-]2)cn1)C1CC1)c1ccccc1 ZINC001574507213 950456244 /nfs/dbraw/zinc/45/62/44/950456244.db2.gz FYXIUCORNSIZAP-CQSZACIVSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H](CC(=O)NCCN(c1cnc(-c2nn[n-]n2)cn1)C1CC1)c1ccccc1 ZINC001574507213 950456259 /nfs/dbraw/zinc/45/62/59/950456259.db2.gz FYXIUCORNSIZAP-CQSZACIVSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H](CC(=O)N[C@@H](C)C1CCN(c2nccnc2-c2nnn[n-]2)CC1)C1CC1 ZINC001574507934 950461621 /nfs/dbraw/zinc/46/16/21/950461621.db2.gz LBYQRWUOLFQUKM-OLZOCXBDSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](CC(=O)N[C@@H](C)C1CCN(c2nccnc2-c2nn[n-]n2)CC1)C1CC1 ZINC001574507934 950461637 /nfs/dbraw/zinc/46/16/37/950461637.db2.gz LBYQRWUOLFQUKM-OLZOCXBDSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@]1(C(=O)N[C@H]2CCN(c3nc(-c4nn[n-]n4)c(Cl)s3)C2)CCOC1 ZINC001575605744 950480057 /nfs/dbraw/zinc/48/00/57/950480057.db2.gz RRTOKCMKFYNSTE-RMLUDKJBSA-N -1 1 383.865 1.098 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)[C@@H]1CCCO1 ZINC001574508483 950480656 /nfs/dbraw/zinc/48/06/56/950480656.db2.gz PBNHXAYOUJOWIG-BHPKHCPMSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)[C@@H]1CCCO1 ZINC001574508483 950480678 /nfs/dbraw/zinc/48/06/78/950480678.db2.gz PBNHXAYOUJOWIG-BHPKHCPMSA-N -1 1 386.460 1.169 20 0 GDADMM CC1(C(=O)N[C@H]2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)CC2)CC(F)(F)C1 ZINC001575605747 950482959 /nfs/dbraw/zinc/48/29/59/950482959.db2.gz RWGGEMZBGIDJMJ-XYPYZODXSA-N -1 1 392.414 1.931 20 0 GDADMM CC1(C(=O)N[C@H]2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)CC2)CC(F)(F)C1 ZINC001575605747 950482970 /nfs/dbraw/zinc/48/29/70/950482970.db2.gz RWGGEMZBGIDJMJ-XYPYZODXSA-N -1 1 392.414 1.931 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)[C@H]1CCCO1 ZINC001574508497 950483375 /nfs/dbraw/zinc/48/33/75/950483375.db2.gz PBNHXAYOUJOWIG-RMRHIDDWSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)[C@H]1CCCO1 ZINC001574508497 950483395 /nfs/dbraw/zinc/48/33/95/950483395.db2.gz PBNHXAYOUJOWIG-RMRHIDDWSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc2ccccc2[nH]1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574752737 950495128 /nfs/dbraw/zinc/49/51/28/950495128.db2.gz ZPULOTLAUUKWBC-NSHDSACASA-N -1 1 377.412 1.711 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc2ccccc2[nH]1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574752737 950495137 /nfs/dbraw/zinc/49/51/37/950495137.db2.gz ZPULOTLAUUKWBC-NSHDSACASA-N -1 1 377.412 1.711 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cc(C2CC2)no1 ZINC001575915708 950522155 /nfs/dbraw/zinc/52/21/55/950522155.db2.gz OAEXHDKGWASGNP-GXSJLCMTSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cc(C2CC2)no1 ZINC001575915708 950522166 /nfs/dbraw/zinc/52/21/66/950522166.db2.gz OAEXHDKGWASGNP-GXSJLCMTSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc(C(F)F)nc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574753525 950525267 /nfs/dbraw/zinc/52/52/67/950525267.db2.gz OKVXIAXYWQMWJF-SECBINFHSA-N -1 1 389.370 1.562 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc(C(F)F)nc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574753525 950525282 /nfs/dbraw/zinc/52/52/82/950525282.db2.gz OKVXIAXYWQMWJF-SECBINFHSA-N -1 1 389.370 1.562 20 0 GDADMM CC(C)(C)OCC(=O)N1CCCCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573867328 950528598 /nfs/dbraw/zinc/52/85/98/950528598.db2.gz WHOFMVQLIBAHOZ-CYBMUJFWSA-N -1 1 388.476 1.655 20 0 GDADMM CC(C)(C)OCC(=O)N1CCCCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573867328 950528606 /nfs/dbraw/zinc/52/86/06/950528606.db2.gz WHOFMVQLIBAHOZ-CYBMUJFWSA-N -1 1 388.476 1.655 20 0 GDADMM C[C@H](CNC(=O)c1cc(C(C)(C)C)on1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574996426 950531753 /nfs/dbraw/zinc/53/17/53/950531753.db2.gz NFYJUQDBSHIANZ-SNVBAGLBSA-N -1 1 385.432 1.197 20 0 GDADMM C[C@H](CNC(=O)c1cc(C(C)(C)C)on1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574996426 950531779 /nfs/dbraw/zinc/53/17/79/950531779.db2.gz NFYJUQDBSHIANZ-SNVBAGLBSA-N -1 1 385.432 1.197 20 0 GDADMM CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[n-]n3)n2)CC(F)(F)C1 ZINC001575614571 950536893 /nfs/dbraw/zinc/53/68/93/950536893.db2.gz IPHHNHQYSKVOIL-VWYCJHECSA-N -1 1 390.398 1.318 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1CCCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001573868634 950545809 /nfs/dbraw/zinc/54/58/09/950545809.db2.gz FLUMCJRDPQUIHX-OLZOCXBDSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001573868634 950545824 /nfs/dbraw/zinc/54/58/24/950545824.db2.gz FLUMCJRDPQUIHX-OLZOCXBDSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)OCC(=O)N[C@]12CCC[C@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001573868877 950547434 /nfs/dbraw/zinc/54/74/34/950547434.db2.gz HBORWRPAIIJTGF-ACJLOTCBSA-N -1 1 386.460 1.089 20 0 GDADMM CC(C)(C)OCC(=O)N[C@]12CCC[C@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001573868877 950547459 /nfs/dbraw/zinc/54/74/59/950547459.db2.gz HBORWRPAIIJTGF-ACJLOTCBSA-N -1 1 386.460 1.089 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc(C(F)F)o1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574754059 950559941 /nfs/dbraw/zinc/55/99/41/950559941.db2.gz WQNUJIXNRWRPOV-QMMMGPOBSA-N -1 1 378.343 1.760 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc(C(F)F)o1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574754059 950559957 /nfs/dbraw/zinc/55/99/57/950559957.db2.gz WQNUJIXNRWRPOV-QMMMGPOBSA-N -1 1 378.343 1.760 20 0 GDADMM CC(C)c1ccc(C(=O)N(C)C[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)nc1 ZINC001574754040 950560336 /nfs/dbraw/zinc/56/03/36/950560336.db2.gz WJVGIVYCZFXVQB-GFCCVEGCSA-N -1 1 381.444 1.748 20 0 GDADMM CC(C)c1ccc(C(=O)N(C)C[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)nc1 ZINC001574754040 950560350 /nfs/dbraw/zinc/56/03/50/950560350.db2.gz WJVGIVYCZFXVQB-GFCCVEGCSA-N -1 1 381.444 1.748 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C[C@@H](C)c1ccc(F)cc1 ZINC001574513235 950598796 /nfs/dbraw/zinc/59/87/96/950598796.db2.gz LCMFHTCDORLAMA-VXGBXAGGSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@@H](C)c1ccc(F)cc1 ZINC001574513235 950598808 /nfs/dbraw/zinc/59/88/08/950598808.db2.gz LCMFHTCDORLAMA-VXGBXAGGSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccc(C(F)F)o1 ZINC001575918651 950599741 /nfs/dbraw/zinc/59/97/41/950599741.db2.gz DLUDDQXURWTKML-IUCAKERBSA-N -1 1 390.354 1.902 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccc(C(F)F)o1 ZINC001575918651 950599752 /nfs/dbraw/zinc/59/97/52/950599752.db2.gz DLUDDQXURWTKML-IUCAKERBSA-N -1 1 390.354 1.902 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001574513267 950600098 /nfs/dbraw/zinc/60/00/98/950600098.db2.gz LWRPJIJMZBODJR-ZJUUUORDSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001574513267 950600110 /nfs/dbraw/zinc/60/01/10/950600110.db2.gz LWRPJIJMZBODJR-ZJUUUORDSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@@H](C)c1ccc(F)cc1 ZINC001574513297 950604333 /nfs/dbraw/zinc/60/43/33/950604333.db2.gz MPLTXOSMFCZCBE-VXGBXAGGSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@@H](C)c1ccc(F)cc1 ZINC001574513297 950604348 /nfs/dbraw/zinc/60/43/48/950604348.db2.gz MPLTXOSMFCZCBE-VXGBXAGGSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1cccs1 ZINC001575919361 950609772 /nfs/dbraw/zinc/60/97/72/950609772.db2.gz HAPNOXNDHBCURI-AAEUAGOBSA-N -1 1 384.469 1.174 20 0 GDADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCC1CCCCC1 ZINC001575919395 950614984 /nfs/dbraw/zinc/61/49/84/950614984.db2.gz HPZXYWTXJCNKHG-UKRRQHHQSA-N -1 1 384.488 1.840 20 0 GDADMM CC(C)CCC(=O)N[C@@H]1CC[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C1 ZINC001574174017 950617016 /nfs/dbraw/zinc/61/70/16/950617016.db2.gz DHDXATAXRGHIOT-QLFBSQMISA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)CCC(=O)N[C@@H]1CC[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C1 ZINC001574174017 950617032 /nfs/dbraw/zinc/61/70/32/950617032.db2.gz DHDXATAXRGHIOT-QLFBSQMISA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)c(Cl)[nH]1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575001132 950621156 /nfs/dbraw/zinc/62/11/56/950621156.db2.gz SWRYSJBINKLEDF-ZCFIWIBFSA-N -1 1 382.215 1.522 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)c(Cl)[nH]1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575001132 950621167 /nfs/dbraw/zinc/62/11/67/950621167.db2.gz SWRYSJBINKLEDF-ZCFIWIBFSA-N -1 1 382.215 1.522 20 0 GDADMM CC1(C)C2CCC1(C(=O)NCC1(Nc3ccnc(-c4nn[n-]n4)n3)CC1)CC2 ZINC001575622589 950640142 /nfs/dbraw/zinc/64/01/42/950640142.db2.gz DIVGIGLAWGKAOX-UHFFFAOYSA-N -1 1 382.472 1.356 20 0 GDADMM CC(C)n1cccc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001575922147 950644501 /nfs/dbraw/zinc/64/45/01/950644501.db2.gz OUFRFVYSZUCTCI-STQMWFEESA-N -1 1 381.444 1.176 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cccc(F)c1F ZINC001575922383 950647397 /nfs/dbraw/zinc/64/73/97/950647397.db2.gz PGURPSFFSCWVGQ-SKDRFNHKSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cccc(F)c1F ZINC001575922383 950647411 /nfs/dbraw/zinc/64/74/11/950647411.db2.gz PGURPSFFSCWVGQ-SKDRFNHKSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1cccnc1 ZINC001575922835 950650959 /nfs/dbraw/zinc/65/09/59/950650959.db2.gz ASUXTCINLYSCKB-OCCSQVGLSA-N -1 1 379.428 1.086 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1cccnc1 ZINC001575922835 950650970 /nfs/dbraw/zinc/65/09/70/950650970.db2.gz ASUXTCINLYSCKB-OCCSQVGLSA-N -1 1 379.428 1.086 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)no1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001575001956 950651567 /nfs/dbraw/zinc/65/15/67/950651567.db2.gz QJAOEWRYOGJXTA-BYPYZUCNSA-N -1 1 389.228 1.848 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)no1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575001956 950651582 /nfs/dbraw/zinc/65/15/82/950651582.db2.gz QJAOEWRYOGJXTA-BYPYZUCNSA-N -1 1 389.228 1.848 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1 ZINC001574518250 950652489 /nfs/dbraw/zinc/65/24/89/950652489.db2.gz MWFVKYOGANKNJY-YUELXQCFSA-N -1 1 378.440 1.910 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1 ZINC001574518250 950652502 /nfs/dbraw/zinc/65/25/02/950652502.db2.gz MWFVKYOGANKNJY-YUELXQCFSA-N -1 1 378.440 1.910 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CC[C@@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573876251 950667953 /nfs/dbraw/zinc/66/79/53/950667953.db2.gz HOBJQYNBRUPEAY-MGPQQGTHSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CC[C@@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573876251 950667985 /nfs/dbraw/zinc/66/79/85/950667985.db2.gz HOBJQYNBRUPEAY-MGPQQGTHSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H](CNC(=O)c1cc2c([nH]1)CCCC2)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575003137 950673297 /nfs/dbraw/zinc/67/32/97/950673297.db2.gz YGEOQZQPVLILMF-LLVKDONJSA-N -1 1 381.444 1.118 20 0 GDADMM C[C@H](CNC(=O)c1cc2c([nH]1)CCCC2)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575003137 950673315 /nfs/dbraw/zinc/67/33/15/950673315.db2.gz YGEOQZQPVLILMF-LLVKDONJSA-N -1 1 381.444 1.118 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccncc1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574760754 950681443 /nfs/dbraw/zinc/68/14/43/950681443.db2.gz ZJRDGOIKLRRFLQ-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccncc1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574760754 950681456 /nfs/dbraw/zinc/68/14/56/950681456.db2.gz ZJRDGOIKLRRFLQ-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CC[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001573876786 950683130 /nfs/dbraw/zinc/68/31/30/950683130.db2.gz WECRXTBGVNLTJV-JZKQVHKSSA-N -1 1 396.499 1.768 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CC[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001573876786 950683138 /nfs/dbraw/zinc/68/31/38/950683138.db2.gz WECRXTBGVNLTJV-JZKQVHKSSA-N -1 1 396.499 1.768 20 0 GDADMM CC1(C)C2CCC1(C(=O)N[C@H]1CCN(c3cnc(-c4nnn[n-]4)cn3)C1)CC2 ZINC001575625463 950689147 /nfs/dbraw/zinc/68/91/47/950689147.db2.gz RNQKMQBHCAERNP-MLZJXEJWSA-N -1 1 382.472 1.568 20 0 GDADMM CC1(C)C2CCC1(C(=O)N[C@H]1CCN(c3cnc(-c4nn[n-]n4)cn3)C1)CC2 ZINC001575625463 950689158 /nfs/dbraw/zinc/68/91/58/950689158.db2.gz RNQKMQBHCAERNP-MLZJXEJWSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccnc(C2CC2)c1 ZINC001575925696 950689661 /nfs/dbraw/zinc/68/96/61/950689661.db2.gz HXGLJEAHTDYTOF-SMDDNHRTSA-N -1 1 391.439 1.644 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccnc(C2CC2)c1 ZINC001575925696 950689671 /nfs/dbraw/zinc/68/96/71/950689671.db2.gz HXGLJEAHTDYTOF-SMDDNHRTSA-N -1 1 391.439 1.644 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc2cc[nH]c2c1 ZINC001575925842 950692014 /nfs/dbraw/zinc/69/20/14/950692014.db2.gz VGIGYJVRWXVYMK-RISCZKNCSA-N -1 1 389.423 1.275 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NCC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573878465 950708587 /nfs/dbraw/zinc/70/85/87/950708587.db2.gz PXQLVOBSCMPOGH-BFHYXJOUSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@H](CC(=O)c1cccs1)NS(=O)(=O)c1ccsc1-c1nn[n-]n1 ZINC001574520092 950713942 /nfs/dbraw/zinc/71/39/42/950713942.db2.gz LMYBGPXXQPKGBS-MRVPVSSYSA-N -1 1 383.480 1.930 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C2CCC2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576215925 950719665 /nfs/dbraw/zinc/71/96/65/950719665.db2.gz CGXKZLBWJAGUKM-QWHCGFSZSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C2CCC2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576215925 950719680 /nfs/dbraw/zinc/71/96/80/950719680.db2.gz CGXKZLBWJAGUKM-QWHCGFSZSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccc(C(F)F)o1 ZINC001575926760 950721496 /nfs/dbraw/zinc/72/14/96/950721496.db2.gz LNJPKWHUTRGXLV-IUCAKERBSA-N -1 1 390.354 1.902 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccc(C(F)F)o1 ZINC001575926760 950721513 /nfs/dbraw/zinc/72/15/13/950721513.db2.gz LNJPKWHUTRGXLV-IUCAKERBSA-N -1 1 390.354 1.902 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C2CCCC2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576216345 950732916 /nfs/dbraw/zinc/73/29/16/950732916.db2.gz DJSNSEFMDVASRP-GXTWGEPZSA-N -1 1 384.488 1.554 20 0 GDADMM C[C@H](CC(=O)Nc1cccc(-c2nnn[n-]2)n1)n1cc(Br)cn1 ZINC001574520746 950748005 /nfs/dbraw/zinc/74/80/05/950748005.db2.gz YDKNLASJDPHLTQ-MRVPVSSYSA-N -1 1 377.206 1.811 20 0 GDADMM C[C@H](CC(=O)Nc1cccc(-c2nn[n-]n2)n1)n1cc(Br)cn1 ZINC001574520746 950748023 /nfs/dbraw/zinc/74/80/23/950748023.db2.gz YDKNLASJDPHLTQ-MRVPVSSYSA-N -1 1 377.206 1.811 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cccc(F)c1F ZINC001575927957 950765969 /nfs/dbraw/zinc/76/59/69/950765969.db2.gz WRTPXGLTPJXNNF-BXKDBHETSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cccc(F)c1F ZINC001575927957 950765991 /nfs/dbraw/zinc/76/59/91/950765991.db2.gz WRTPXGLTPJXNNF-BXKDBHETSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@H](CN(C)C(=O)c1sccc1Cl)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574765477 950785289 /nfs/dbraw/zinc/78/52/89/950785289.db2.gz CUXIHHHCLFYNHJ-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CN(C)C(=O)c1sccc1Cl)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574765477 950785302 /nfs/dbraw/zinc/78/53/02/950785302.db2.gz CUXIHHHCLFYNHJ-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccncc1Cl ZINC001575929985 950793206 /nfs/dbraw/zinc/79/32/06/950793206.db2.gz DCHYXSROBYJSIK-JOYOIKCWSA-N -1 1 385.819 1.420 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccncc1Cl ZINC001575929985 950793223 /nfs/dbraw/zinc/79/32/23/950793223.db2.gz DCHYXSROBYJSIK-JOYOIKCWSA-N -1 1 385.819 1.420 20 0 GDADMM CC(C)(C)c1nc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)co1 ZINC001573884487 950795889 /nfs/dbraw/zinc/79/58/89/950795889.db2.gz NCESOFQQKXMCLV-SNVBAGLBSA-N -1 1 383.416 1.269 20 0 GDADMM CC(C)(C)c1nc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)co1 ZINC001573884487 950795902 /nfs/dbraw/zinc/79/59/02/950795902.db2.gz NCESOFQQKXMCLV-SNVBAGLBSA-N -1 1 383.416 1.269 20 0 GDADMM CC1(C)CC(CC(=O)NCC[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001575633086 950811227 /nfs/dbraw/zinc/81/12/27/950811227.db2.gz PXRNZDKYTJOCIM-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C)CC(CC(=O)NCC[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001575633086 950811251 /nfs/dbraw/zinc/81/12/51/950811251.db2.gz PXRNZDKYTJOCIM-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C)CC(CC(=O)NCCC2(CNc3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001575633292 950816037 /nfs/dbraw/zinc/81/60/37/950816037.db2.gz RIKQEZANUOZRHY-UHFFFAOYSA-N -1 1 384.488 1.603 20 0 GDADMM C[C@@H]1[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCN1C(=O)c1cncnc1 ZINC001575932200 950823416 /nfs/dbraw/zinc/82/34/16/950823416.db2.gz KKIUPQHCWMXKEE-APPZFPTMSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cc(F)cc(F)c1 ZINC001575933401 950839847 /nfs/dbraw/zinc/83/98/47/950839847.db2.gz ONRBCBLRVHIVNU-ZANVPECISA-N -1 1 386.366 1.650 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(F)cc(F)c1 ZINC001575933401 950839873 /nfs/dbraw/zinc/83/98/73/950839873.db2.gz ONRBCBLRVHIVNU-ZANVPECISA-N -1 1 386.366 1.650 20 0 GDADMM CC1(C)C[C@@H](NC(=O)[C@H]2CC2(F)F)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575639065 950860147 /nfs/dbraw/zinc/86/01/47/950860147.db2.gz OIXRNEZVJCMAKJ-WDEREUQCSA-N -1 1 392.414 1.423 20 0 GDADMM CC1(C)C[C@@H](NC(=O)[C@H]2CC2(F)F)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575639065 950860168 /nfs/dbraw/zinc/86/01/68/950860168.db2.gz OIXRNEZVJCMAKJ-WDEREUQCSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)C(C)(C)C2(C)C)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576221741 950860559 /nfs/dbraw/zinc/86/05/59/950860559.db2.gz WMPMKEUBPABFGZ-VXGBXAGGSA-N -1 1 384.488 1.410 20 0 GDADMM CC1(C)C[C@H]1C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)CC(C)(C)C1 ZINC001575639178 950860673 /nfs/dbraw/zinc/86/06/73/950860673.db2.gz OWIIGAWSEQNZQD-OLZOCXBDSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C[C@H]1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)CC(C)(C)C1 ZINC001575639178 950860691 /nfs/dbraw/zinc/86/06/91/950860691.db2.gz OWIIGAWSEQNZQD-OLZOCXBDSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](CN(C)C(=O)c1sccc1C1CC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574767645 950864691 /nfs/dbraw/zinc/86/46/91/950864691.db2.gz PLPLUHGPJYDWHK-SNVBAGLBSA-N -1 1 384.469 1.590 20 0 GDADMM C[C@H](CN(C)C(=O)c1coc(C(F)F)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574767873 950868104 /nfs/dbraw/zinc/86/81/04/950868104.db2.gz UVIJUSZAPPKYIH-MRVPVSSYSA-N -1 1 378.343 1.760 20 0 GDADMM C[C@H](CN(C)C(=O)c1coc(C(F)F)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574767873 950868118 /nfs/dbraw/zinc/86/81/18/950868118.db2.gz UVIJUSZAPPKYIH-MRVPVSSYSA-N -1 1 378.343 1.760 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)CC(C)(C)C1 ZINC001575639592 950875594 /nfs/dbraw/zinc/87/55/94/950875594.db2.gz TVTKRXNYMADUTK-QWHCGFSZSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)CC(C)(C)C1 ZINC001575639592 950875610 /nfs/dbraw/zinc/87/56/10/950875610.db2.gz TVTKRXNYMADUTK-QWHCGFSZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](CN(C)C(=O)c1coc(C(C)(C)C)n1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574768076 950877419 /nfs/dbraw/zinc/87/74/19/950877419.db2.gz XLMSJCYEJNFWFO-JTQLQIEISA-N -1 1 385.432 1.515 20 0 GDADMM C[C@@H](CN(C)C(=O)c1coc(C(C)(C)C)n1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574768076 950877442 /nfs/dbraw/zinc/87/74/42/950877442.db2.gz XLMSJCYEJNFWFO-JTQLQIEISA-N -1 1 385.432 1.515 20 0 GDADMM CC(C)CCCC(=O)N[C@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001574189426 950878275 /nfs/dbraw/zinc/87/82/75/950878275.db2.gz KOMQDJCPKLEXQW-HNNXBMFYSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CCCC(=O)N[C@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001574189426 950878283 /nfs/dbraw/zinc/87/82/83/950878283.db2.gz KOMQDJCPKLEXQW-HNNXBMFYSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)C[C@@H](NC(=O)[C@@H]2CC23CC3)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575639663 950880688 /nfs/dbraw/zinc/88/06/88/950880688.db2.gz VQNCERFLWJQIMI-STQMWFEESA-N -1 1 382.472 1.568 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)CC(C)(C)C1 ZINC001575639669 950881742 /nfs/dbraw/zinc/88/17/42/950881742.db2.gz WDZKCXSGEYLYJF-CHWSQXEVSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)CC(C)(C)C1 ZINC001575639669 950881757 /nfs/dbraw/zinc/88/17/57/950881757.db2.gz WDZKCXSGEYLYJF-CHWSQXEVSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](CN(C)C(=O)c1csc(Cl)n1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574768623 950894638 /nfs/dbraw/zinc/89/46/38/950894638.db2.gz ZWKHSCDFNXUXCW-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CN(C)C(=O)c1csc(Cl)n1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574768623 950894653 /nfs/dbraw/zinc/89/46/53/950894653.db2.gz ZWKHSCDFNXUXCW-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1occ2c1CCC2 ZINC001575935928 950900684 /nfs/dbraw/zinc/90/06/84/950900684.db2.gz CCVJUXVMMRKFDY-ZWNOBZJWSA-N -1 1 380.412 1.454 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1occ2c1CCC2 ZINC001575935928 950900699 /nfs/dbraw/zinc/90/06/99/950900699.db2.gz CCVJUXVMMRKFDY-ZWNOBZJWSA-N -1 1 380.412 1.454 20 0 GDADMM CC(C)(CC(=O)N1CC[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001573893869 950907521 /nfs/dbraw/zinc/90/75/21/950907521.db2.gz ZYQAAWNWJTXYCD-ZDUSSCGKSA-N -1 1 384.488 1.555 20 0 GDADMM CC(C)c1ncsc1C(=O)N(C)C[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574769097 950908719 /nfs/dbraw/zinc/90/87/19/950908719.db2.gz ZNXNMRGVAIELMZ-SNVBAGLBSA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)c1ncsc1C(=O)N(C)C[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574769097 950908733 /nfs/dbraw/zinc/90/87/33/950908733.db2.gz ZNXNMRGVAIELMZ-SNVBAGLBSA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)n1nccc1C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC001575936814 950925020 /nfs/dbraw/zinc/92/50/20/950925020.db2.gz INYGHZTZBVNTIR-RYUDHWBXSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1nccc1C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)[C@@H]1C ZINC001575936814 950925039 /nfs/dbraw/zinc/92/50/39/950925039.db2.gz INYGHZTZBVNTIR-RYUDHWBXSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1nccc1C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC001575936813 950928233 /nfs/dbraw/zinc/92/82/33/950928233.db2.gz INYGHZTZBVNTIR-NWDGAFQWSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1nccc1C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)[C@@H]1C ZINC001575936813 950928248 /nfs/dbraw/zinc/92/82/48/950928248.db2.gz INYGHZTZBVNTIR-NWDGAFQWSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)CCCC(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCCO1 ZINC001574192896 950936284 /nfs/dbraw/zinc/93/62/84/950936284.db2.gz OHHIMHRZMYZNFW-CQSZACIVSA-N -1 1 388.476 1.195 20 0 GDADMM CC(C)CCCC(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCCO1 ZINC001574192896 950936304 /nfs/dbraw/zinc/93/63/04/950936304.db2.gz OHHIMHRZMYZNFW-CQSZACIVSA-N -1 1 388.476 1.195 20 0 GDADMM CC(C)(CC(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1)C1CC1 ZINC001573896278 950947237 /nfs/dbraw/zinc/94/72/37/950947237.db2.gz ICRHLAJOSYHAGB-BETUJISGSA-N -1 1 382.472 1.378 20 0 GDADMM CC(C)(CC(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1)C1CC1 ZINC001573896278 950947255 /nfs/dbraw/zinc/94/72/55/950947255.db2.gz ICRHLAJOSYHAGB-BETUJISGSA-N -1 1 382.472 1.378 20 0 GDADMM CC(C)(CC(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1)C1CC1 ZINC001573896896 950953368 /nfs/dbraw/zinc/95/33/68/950953368.db2.gz LISYBTDWNZVLOS-UHFFFAOYSA-N -1 1 390.513 1.417 20 0 GDADMM CC(C)(CC(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1)CC(F)F ZINC001573897194 950958385 /nfs/dbraw/zinc/95/83/85/950958385.db2.gz LSAUFBHECXCQMM-QWRGUYRKSA-N -1 1 392.414 1.518 20 0 GDADMM CC(C)(CC(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1)CC(F)F ZINC001573897194 950958398 /nfs/dbraw/zinc/95/83/98/950958398.db2.gz LSAUFBHECXCQMM-QWRGUYRKSA-N -1 1 392.414 1.518 20 0 GDADMM CC(C)(CC(=O)NC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1CC1 ZINC001573897791 950965168 /nfs/dbraw/zinc/96/51/68/950965168.db2.gz SMUGDBAKVPBOML-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(CC(=O)NC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1CC1 ZINC001573897791 950965184 /nfs/dbraw/zinc/96/51/84/950965184.db2.gz SMUGDBAKVPBOML-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ncc(Cl)s1 ZINC001575938436 950980453 /nfs/dbraw/zinc/98/04/53/950980453.db2.gz NKUAWENYSSBSBZ-YUMQZZPRSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ncc(Cl)s1 ZINC001575938436 950980471 /nfs/dbraw/zinc/98/04/71/950980471.db2.gz NKUAWENYSSBSBZ-YUMQZZPRSA-N -1 1 391.848 1.482 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573899482 950980846 /nfs/dbraw/zinc/98/08/46/950980846.db2.gz AFJXMVONXVZJCW-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573899482 950980863 /nfs/dbraw/zinc/98/08/63/950980863.db2.gz AFJXMVONXVZJCW-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)COCC1CCCC1 ZINC001575938858 950993210 /nfs/dbraw/zinc/99/32/10/950993210.db2.gz OUBUKBYGVSYXEB-OCCSQVGLSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)COCC1CCCC1 ZINC001575938858 950993226 /nfs/dbraw/zinc/99/32/26/950993226.db2.gz OUBUKBYGVSYXEB-OCCSQVGLSA-N -1 1 386.460 1.265 20 0 GDADMM CC(C)(CC(=O)NCCNc1ccnc(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC001573900154 950997524 /nfs/dbraw/zinc/99/75/24/950997524.db2.gz RIJFSODBYPRZOD-UHFFFAOYSA-N -1 1 384.419 1.114 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)F)o1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575019037 951029470 /nfs/dbraw/zinc/02/94/70/951029470.db2.gz PVMRFPUUPPQPIV-MRVPVSSYSA-N -1 1 378.343 1.665 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)F)o1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575019037 951029483 /nfs/dbraw/zinc/02/94/83/951029483.db2.gz PVMRFPUUPPQPIV-MRVPVSSYSA-N -1 1 378.343 1.665 20 0 GDADMM CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)N1CC[C@](COC)(C(=O)[O-])C1 ZINC001591092157 951065106 /nfs/dbraw/zinc/06/51/06/951065106.db2.gz RGAFWCDIXOXBGP-XIKOKIGWSA-N -1 1 398.481 1.983 20 0 GDADMM CCOC(=O)c1cn[nH]c1[C@@H]1CCN(C(=O)C2(C(=O)[O-])CCSCC2)C1 ZINC001591197081 951094737 /nfs/dbraw/zinc/09/47/37/951094737.db2.gz LMATUBCVZBVKSR-LLVKDONJSA-N -1 1 381.454 1.500 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)cc1Cl)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575024835 951117071 /nfs/dbraw/zinc/11/70/71/951117071.db2.gz NNKQHHIHSULZKI-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)cc1Cl)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575024835 951117076 /nfs/dbraw/zinc/11/70/76/951117076.db2.gz NNKQHHIHSULZKI-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(F)c1Cl)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575025808 951132447 /nfs/dbraw/zinc/13/24/47/951132447.db2.gz AZCGRWJQXZTPHH-SECBINFHSA-N -1 1 390.810 1.349 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(=O)[nH]1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575026683 951145277 /nfs/dbraw/zinc/14/52/77/951145277.db2.gz MBSJEYCUNNKKEM-LURJTMIESA-N -1 1 380.821 1.308 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(C(F)F)c1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575026462 951145562 /nfs/dbraw/zinc/14/55/62/951145562.db2.gz KWSQRWKSUUPFAI-JTQLQIEISA-N -1 1 388.382 1.849 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(C(F)F)c1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575026462 951145568 /nfs/dbraw/zinc/14/55/68/951145568.db2.gz KWSQRWKSUUPFAI-JTQLQIEISA-N -1 1 388.382 1.849 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(F)c1Cl)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575027650 951162930 /nfs/dbraw/zinc/16/29/30/951162930.db2.gz HLDGBDCNBYHPBD-QMMMGPOBSA-N -1 1 376.783 1.102 20 0 GDADMM C[C@@H](CNC(=O)c1ccccc1C(F)(F)F)Nc1nccnc1-c1nnn[n-]1 ZINC001575028978 951179513 /nfs/dbraw/zinc/17/95/13/951179513.db2.gz QOTOYWXGCYGQQC-VIFPVBQESA-N -1 1 392.345 1.906 20 0 GDADMM C[C@@H](CNC(=O)c1ccccc1C(F)(F)F)Nc1nccnc1-c1nn[n-]n1 ZINC001575028978 951179522 /nfs/dbraw/zinc/17/95/22/951179522.db2.gz QOTOYWXGCYGQQC-VIFPVBQESA-N -1 1 392.345 1.906 20 0 GDADMM C[C@H](CNC(=O)c1ccncc1F)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001575034575 951251679 /nfs/dbraw/zinc/25/16/79/951251679.db2.gz NTQYOTWTHQGKFI-ZCFIWIBFSA-N -1 1 382.812 1.741 20 0 GDADMM C[C@H](CNC(=O)c1ccncc1F)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575034575 951251691 /nfs/dbraw/zinc/25/16/91/951251691.db2.gz NTQYOTWTHQGKFI-ZCFIWIBFSA-N -1 1 382.812 1.741 20 0 GDADMM C[C@H](CNC(=O)c1cnc(CC2CC2)s1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575044037 951408314 /nfs/dbraw/zinc/40/83/14/951408314.db2.gz OBEGDBIHYSQEJE-SECBINFHSA-N -1 1 385.457 1.296 20 0 GDADMM C[C@H](CNC(=O)c1cnc(CC2CC2)s1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575044037 951408322 /nfs/dbraw/zinc/40/83/22/951408322.db2.gz OBEGDBIHYSQEJE-SECBINFHSA-N -1 1 385.457 1.296 20 0 GDADMM C[C@H](CNC(=O)c1cncnc1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575045356 951424851 /nfs/dbraw/zinc/42/48/51/951424851.db2.gz AJZBVZCBMMXCHV-SSDOTTSWSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1cncn1C)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575047142 951451845 /nfs/dbraw/zinc/45/18/45/951451845.db2.gz XQUVOGPASDOEGQ-ZETCQYMHSA-N -1 1 381.853 1.188 20 0 GDADMM C[C@H](CNC(=O)c1cncs1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575054577 951494818 /nfs/dbraw/zinc/49/48/18/951494818.db2.gz YLULPTIARMFFCX-ZCFIWIBFSA-N -1 1 384.878 1.688 20 0 GDADMM C[C@H](CNC(=O)c1csc(Cl)c1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575056623 951521495 /nfs/dbraw/zinc/52/14/95/951521495.db2.gz JVXKMCAGHQCGFP-QMMMGPOBSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@H](CNC(=O)c1csc(Cl)c1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575056623 951521503 /nfs/dbraw/zinc/52/15/03/951521503.db2.gz JVXKMCAGHQCGFP-QMMMGPOBSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@@H](CNC(=O)c1csc(C(C)(C)C)n1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575058947 951538372 /nfs/dbraw/zinc/53/83/72/951538372.db2.gz WXLGCZBYSSYQMU-VIFPVBQESA-N -1 1 387.473 1.641 20 0 GDADMM C[C@@H](CNC(=O)c1csc(C(C)(C)C)n1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575058947 951538381 /nfs/dbraw/zinc/53/83/81/951538381.db2.gz WXLGCZBYSSYQMU-VIFPVBQESA-N -1 1 387.473 1.641 20 0 GDADMM C[C@H](CNC(=O)c1csc(Cl)n1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575060788 951548018 /nfs/dbraw/zinc/54/80/18/951548018.db2.gz GPCQGRWFDZKFGA-SSDOTTSWSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@H](CNC(=O)c1csc(Cl)n1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575060788 951548031 /nfs/dbraw/zinc/54/80/31/951548031.db2.gz GPCQGRWFDZKFGA-SSDOTTSWSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@@H](CNC(=O)c1cscc1C(F)F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575060891 951552049 /nfs/dbraw/zinc/55/20/49/951552049.db2.gz JAMKSFRNHPASPF-ZETCQYMHSA-N -1 1 380.384 1.886 20 0 GDADMM C[C@@H](CNC(=O)c1cscc1C(F)F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575060891 951552055 /nfs/dbraw/zinc/55/20/55/951552055.db2.gz JAMKSFRNHPASPF-ZETCQYMHSA-N -1 1 380.384 1.886 20 0 GDADMM C[C@@H](CNC(=O)c1n[nH]cc1F)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575062125 951565417 /nfs/dbraw/zinc/56/54/17/951565417.db2.gz UFPCAFVSUCULDE-YFKPBYRVSA-N -1 1 385.816 1.317 20 0 GDADMM C[C@@H](CNC(=O)c1cscc1C(F)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575062869 951573470 /nfs/dbraw/zinc/57/34/70/951573470.db2.gz ZYQYHMBJVRHOGI-ZETCQYMHSA-N -1 1 380.384 1.886 20 0 GDADMM C[C@@H](CNC(=O)c1cscc1C(F)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575062869 951573479 /nfs/dbraw/zinc/57/34/79/951573479.db2.gz ZYQYHMBJVRHOGI-ZETCQYMHSA-N -1 1 380.384 1.886 20 0 GDADMM C[C@@H](CNC(=O)c1ncccn1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575067713 951621183 /nfs/dbraw/zinc/62/11/83/951621183.db2.gz OQRUUFZXGYKWTF-ZETCQYMHSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1ncccn1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575067713 951621190 /nfs/dbraw/zinc/62/11/90/951621190.db2.gz OQRUUFZXGYKWTF-ZETCQYMHSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@H](CNC(=O)c1nccs1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575068305 951634609 /nfs/dbraw/zinc/63/46/09/951634609.db2.gz ZSXHIZJDWVOWGX-ZCFIWIBFSA-N -1 1 384.878 1.911 20 0 GDADMM C[C@@H](CNC(=O)c1scnc1C(F)F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575068562 951636735 /nfs/dbraw/zinc/63/67/35/951636735.db2.gz AWJAZCGJARTNAD-LURJTMIESA-N -1 1 381.372 1.281 20 0 GDADMM C[C@@H](CNC(=O)c1scnc1C(F)F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575068562 951636741 /nfs/dbraw/zinc/63/67/41/951636741.db2.gz AWJAZCGJARTNAD-LURJTMIESA-N -1 1 381.372 1.281 20 0 GDADMM C[C@H](CNC(=O)c1onc2c1CCCC2)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575070578 951651876 /nfs/dbraw/zinc/65/18/76/951651876.db2.gz RUQHLCHRBYTDOR-JTQLQIEISA-N -1 1 383.416 1.002 20 0 GDADMM C[C@H](CNC(=O)c1onc2c1CCCC2)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575070578 951651879 /nfs/dbraw/zinc/65/18/79/951651879.db2.gz RUQHLCHRBYTDOR-JTQLQIEISA-N -1 1 383.416 1.002 20 0 GDADMM O=C([O-])COCCOCCNC(=O)c1n[nH]c2ccc(Br)cc21 ZINC001595116152 951944147 /nfs/dbraw/zinc/94/41/47/951944147.db2.gz HEANLGWRYFZWNH-UHFFFAOYSA-N -1 1 386.202 1.173 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@H]1CCCCC1(F)F ZINC001575132585 952094727 /nfs/dbraw/zinc/09/47/27/952094727.db2.gz HAELVLFUZLKDNG-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@H]1CCCCC1(F)F ZINC001575132585 952094738 /nfs/dbraw/zinc/09/47/38/952094738.db2.gz HAELVLFUZLKDNG-GHMZBOCLSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001575132911 952099569 /nfs/dbraw/zinc/09/95/69/952099569.db2.gz IJEWSZKUBZDEBR-AEGPPILISA-N -1 1 378.440 1.719 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001575132911 952099574 /nfs/dbraw/zinc/09/95/74/952099574.db2.gz IJEWSZKUBZDEBR-AEGPPILISA-N -1 1 378.440 1.719 20 0 GDADMM O=C([O-])Cn1cc(C(=O)Nc2cc(Cl)cc(Br)c2O)nn1 ZINC001595143754 952103737 /nfs/dbraw/zinc/10/37/37/952103737.db2.gz URAIUPNWTGJTCB-UHFFFAOYSA-N -1 1 375.566 1.737 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)CCCc1ccccc1 ZINC001575140409 952142691 /nfs/dbraw/zinc/14/26/91/952142691.db2.gz CVSQJPNQVJVPQW-CQSZACIVSA-N -1 1 380.456 1.360 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C[C@@H]1CCC(F)(F)C1 ZINC001575144737 952170908 /nfs/dbraw/zinc/17/09/08/952170908.db2.gz XTEGMPDKEJRQNX-MNOVXSKESA-N -1 1 380.403 1.163 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc(Cl)s1 ZINC001575144846 952171838 /nfs/dbraw/zinc/17/18/38/952171838.db2.gz MUYZJHXGPCUWGF-MRVPVSSYSA-N -1 1 378.849 1.366 20 0 GDADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)[C@H]1Cc2ccccc21)C1CC1 ZINC001575145596 952187741 /nfs/dbraw/zinc/18/77/41/952187741.db2.gz ATENEHOOWDMUCO-MGPUTAFESA-N -1 1 390.451 1.693 20 0 GDADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)[C@H]1Cc2ccccc21)C1CC1 ZINC001575145596 952187746 /nfs/dbraw/zinc/18/77/46/952187746.db2.gz ATENEHOOWDMUCO-MGPUTAFESA-N -1 1 390.451 1.693 20 0 GDADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)C1C=CC=CC=C1)C1CC1 ZINC001575146424 952194258 /nfs/dbraw/zinc/19/42/58/952194258.db2.gz KRZLKLKUBCQGPQ-IBGZPJMESA-N -1 1 378.440 1.652 20 0 GDADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)C1C=CC=CC=C1)C1CC1 ZINC001575146424 952194263 /nfs/dbraw/zinc/19/42/63/952194263.db2.gz KRZLKLKUBCQGPQ-IBGZPJMESA-N -1 1 378.440 1.652 20 0 GDADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)CC[C@H]1CCCO1)C1CC1 ZINC001575148094 952201898 /nfs/dbraw/zinc/20/18/98/952201898.db2.gz XIRVEQULRZDQPU-FZKQIMNGSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)CC[C@H]1CCCO1)C1CC1 ZINC001575148094 952201904 /nfs/dbraw/zinc/20/19/04/952201904.db2.gz XIRVEQULRZDQPU-FZKQIMNGSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)CC[C@@H]1CCCO1)C1CC1 ZINC001575148097 952202062 /nfs/dbraw/zinc/20/20/62/952202062.db2.gz XIRVEQULRZDQPU-UGSOOPFHSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)CC[C@@H]1CCCO1)C1CC1 ZINC001575148097 952202066 /nfs/dbraw/zinc/20/20/66/952202066.db2.gz XIRVEQULRZDQPU-UGSOOPFHSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1c(F)cc(F)cc1F ZINC001575152962 952204673 /nfs/dbraw/zinc/20/46/73/952204673.db2.gz BIDWIYRKEFNFNC-QMMMGPOBSA-N -1 1 392.345 1.647 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1c(F)cc(F)cc1F ZINC001575152962 952204677 /nfs/dbraw/zinc/20/46/77/952204677.db2.gz BIDWIYRKEFNFNC-QMMMGPOBSA-N -1 1 392.345 1.647 20 0 GDADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)c1ccc(F)cn1)C1CC1 ZINC001575153039 952204747 /nfs/dbraw/zinc/20/47/47/952204747.db2.gz CDYUCWRTPMLGDS-KRWDZBQOSA-N -1 1 383.391 1.201 20 0 GDADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)c1ccc(F)cn1)C1CC1 ZINC001575153039 952204750 /nfs/dbraw/zinc/20/47/50/952204750.db2.gz CDYUCWRTPMLGDS-KRWDZBQOSA-N -1 1 383.391 1.201 20 0 GDADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)c1ccc(F)cn1)C1CC1 ZINC001575153041 952204773 /nfs/dbraw/zinc/20/47/73/952204773.db2.gz CDYUCWRTPMLGDS-QGZVFWFLSA-N -1 1 383.391 1.201 20 0 GDADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)c1ccc(F)cn1)C1CC1 ZINC001575153041 952204778 /nfs/dbraw/zinc/20/47/78/952204778.db2.gz CDYUCWRTPMLGDS-QGZVFWFLSA-N -1 1 383.391 1.201 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1csc(C2CC2)n1 ZINC001575154380 952222251 /nfs/dbraw/zinc/22/22/51/952222251.db2.gz BYABFFMQQQKTIW-SECBINFHSA-N -1 1 385.457 1.563 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1csc(C2CC2)n1 ZINC001575154380 952222259 /nfs/dbraw/zinc/22/22/59/952222259.db2.gz BYABFFMQQQKTIW-SECBINFHSA-N -1 1 385.457 1.563 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001575154524 952225405 /nfs/dbraw/zinc/22/54/05/952225405.db2.gz RVMIFZZIEQVIQV-KWCYVHTRSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001575154524 952225409 /nfs/dbraw/zinc/22/54/09/952225409.db2.gz RVMIFZZIEQVIQV-KWCYVHTRSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1csc(Cl)n1 ZINC001575154719 952230193 /nfs/dbraw/zinc/23/01/93/952230193.db2.gz HITFSXPIEAZHFZ-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1csc(Cl)n1 ZINC001575154719 952230199 /nfs/dbraw/zinc/23/01/99/952230199.db2.gz HITFSXPIEAZHFZ-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)c1cccc(F)c1)C1CC1 ZINC001575155525 952240135 /nfs/dbraw/zinc/24/01/35/952240135.db2.gz MIKUQEHBUXTPPR-GOSISDBHSA-N -1 1 382.403 1.806 20 0 GDADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)c1cccc(F)c1)C1CC1 ZINC001575155525 952240140 /nfs/dbraw/zinc/24/01/40/952240140.db2.gz MIKUQEHBUXTPPR-GOSISDBHSA-N -1 1 382.403 1.806 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cscc1Cl ZINC001575155778 952243124 /nfs/dbraw/zinc/24/31/24/952243124.db2.gz AHAPSLYAPOWODI-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cscc1Cl ZINC001575155778 952243128 /nfs/dbraw/zinc/24/31/28/952243128.db2.gz AHAPSLYAPOWODI-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CCCc1ccsc1 ZINC001575156348 952251973 /nfs/dbraw/zinc/25/19/73/952251973.db2.gz DTWHJVBHUNGEEU-GFCCVEGCSA-N -1 1 386.485 2.000 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CCCc1ccsc1 ZINC001575156348 952251979 /nfs/dbraw/zinc/25/19/79/952251979.db2.gz DTWHJVBHUNGEEU-GFCCVEGCSA-N -1 1 386.485 2.000 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cnn(C2CCC2)c1 ZINC001575156873 952258494 /nfs/dbraw/zinc/25/84/94/952258494.db2.gz WZXNSQRQCUFJHQ-LLVKDONJSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cnn(C2CCC2)c1 ZINC001575156873 952258500 /nfs/dbraw/zinc/25/85/00/952258500.db2.gz WZXNSQRQCUFJHQ-LLVKDONJSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)Cc1cccnc1 ZINC001575165089 952303873 /nfs/dbraw/zinc/30/38/73/952303873.db2.gz KMJKBNPQVABSOY-VIFPVBQESA-N -1 1 392.876 1.873 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)Cc1cccnc1 ZINC001575165089 952303882 /nfs/dbraw/zinc/30/38/82/952303882.db2.gz KMJKBNPQVABSOY-VIFPVBQESA-N -1 1 392.876 1.873 20 0 GDADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)C1CC2(CCC2)C1)C1CC1 ZINC001575173904 952359108 /nfs/dbraw/zinc/35/91/08/952359108.db2.gz CSGOACLNRZHUPK-GOSISDBHSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)C1CC2(CCC2)C1)C1CC1 ZINC001575173904 952359116 /nfs/dbraw/zinc/35/91/16/952359116.db2.gz CSGOACLNRZHUPK-GOSISDBHSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)C1CC(F)(F)C1)C1CC1 ZINC001575174475 952373019 /nfs/dbraw/zinc/37/30/19/952373019.db2.gz PCAKJEHKGZUCPK-OAHLLOKOSA-N -1 1 378.387 1.399 20 0 GDADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)C1CC(F)(F)C1)C1CC1 ZINC001575174475 952373024 /nfs/dbraw/zinc/37/30/24/952373024.db2.gz PCAKJEHKGZUCPK-OAHLLOKOSA-N -1 1 378.387 1.399 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)CCOc1ccccc1 ZINC001575174912 952380361 /nfs/dbraw/zinc/38/03/61/952380361.db2.gz UDSPWCDJUYWMBV-ZDUSSCGKSA-N -1 1 382.428 1.385 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)CCOc1ccccc1 ZINC001575174912 952380369 /nfs/dbraw/zinc/38/03/69/952380369.db2.gz UDSPWCDJUYWMBV-ZDUSSCGKSA-N -1 1 382.428 1.385 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cc2c([nH]1)CCCC2 ZINC001575181150 952421181 /nfs/dbraw/zinc/42/11/81/952421181.db2.gz ZLFXEMBLPJCMSR-LLVKDONJSA-N -1 1 381.444 1.436 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cc2c([nH]1)CCCC2 ZINC001575181150 952421189 /nfs/dbraw/zinc/42/11/89/952421189.db2.gz ZLFXEMBLPJCMSR-LLVKDONJSA-N -1 1 381.444 1.436 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cc2c(s1)CCC2 ZINC001575180958 952421317 /nfs/dbraw/zinc/42/13/17/952421317.db2.gz YRRZDVQEGWHXJS-SNVBAGLBSA-N -1 1 384.469 1.780 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cc2c(s1)CCC2 ZINC001575180958 952421324 /nfs/dbraw/zinc/42/13/24/952421324.db2.gz YRRZDVQEGWHXJS-SNVBAGLBSA-N -1 1 384.469 1.780 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H](C)Cc1cccc(F)c1 ZINC001575187188 952439160 /nfs/dbraw/zinc/43/91/60/952439160.db2.gz AIXJFRPTAXMABM-NWDGAFQWSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)Cc1cccc(F)c1 ZINC001575187188 952439164 /nfs/dbraw/zinc/43/91/64/952439164.db2.gz AIXJFRPTAXMABM-NWDGAFQWSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@H](Cc1ccccc1F)C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001575189468 952457958 /nfs/dbraw/zinc/45/79/58/952457958.db2.gz PKCQJYOUSORABX-GFCCVEGCSA-N -1 1 384.419 1.545 20 0 GDADMM C[C@H](Cc1ccccc1F)C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001575189468 952457965 /nfs/dbraw/zinc/45/79/65/952457965.db2.gz PKCQJYOUSORABX-GFCCVEGCSA-N -1 1 384.419 1.545 20 0 GDADMM C[C@H](Cc1ccc(F)cc1)C(=O)NCCCNc1nccnc1-c1nnn[n-]1 ZINC001575189792 952459146 /nfs/dbraw/zinc/45/91/46/952459146.db2.gz QLVRQPDQXVAYSK-GFCCVEGCSA-N -1 1 384.419 1.593 20 0 GDADMM C[C@H](Cc1ccc(F)cc1)C(=O)NCCCNc1nccnc1-c1nn[n-]n1 ZINC001575189792 952459149 /nfs/dbraw/zinc/45/91/49/952459149.db2.gz QLVRQPDQXVAYSK-GFCCVEGCSA-N -1 1 384.419 1.593 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575196149 952474723 /nfs/dbraw/zinc/47/47/23/952474723.db2.gz DVLJVTLCUBOEBX-CHWSQXEVSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575196149 952474725 /nfs/dbraw/zinc/47/47/25/952474725.db2.gz DVLJVTLCUBOEBX-CHWSQXEVSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001575196230 952475874 /nfs/dbraw/zinc/47/58/74/952475874.db2.gz FXAHVKUFLLRKGY-YRGRVCCFSA-N -1 1 382.428 1.069 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2CCC[C@H](C(C)(C)C)CC2)n(C)c1=O ZINC001571116674 952476891 /nfs/dbraw/zinc/47/68/91/952476891.db2.gz BYXFUIFIUPZZES-NWDGAFQWSA-N -1 1 375.477 1.671 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575197019 952477780 /nfs/dbraw/zinc/47/77/80/952477780.db2.gz LYZLRSPQTQJTFP-KZULUSFZSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575197019 952477781 /nfs/dbraw/zinc/47/77/81/952477781.db2.gz LYZLRSPQTQJTFP-KZULUSFZSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575197634 952486277 /nfs/dbraw/zinc/48/62/77/952486277.db2.gz YBPAFFWQHUCMCB-STQMWFEESA-N -1 1 382.428 1.214 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575197634 952486278 /nfs/dbraw/zinc/48/62/78/952486278.db2.gz YBPAFFWQHUCMCB-STQMWFEESA-N -1 1 382.428 1.214 20 0 GDADMM Cc1nsc(N[C@H]2CCN(C(=O)c3cncs3)[C@@H]2C)c1-c1nn[n-]n1 ZINC001571121895 952521950 /nfs/dbraw/zinc/52/19/50/952521950.db2.gz DLAWRCWPVWGTIC-BDAKNGLRSA-N -1 1 376.471 1.803 20 0 GDADMM COC1(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CCCCCC1 ZINC001571121713 952522364 /nfs/dbraw/zinc/52/23/64/952522364.db2.gz CBSSEMDRYNNTEH-UHFFFAOYSA-N -1 1 376.465 1.302 20 0 GDADMM COC1(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CCCCCC1 ZINC001571121713 952522373 /nfs/dbraw/zinc/52/23/73/952522373.db2.gz CBSSEMDRYNNTEH-UHFFFAOYSA-N -1 1 376.465 1.302 20 0 GDADMM CCc1nc(NC[C@H]2CCCCN2C(=O)[C@@H](F)CC)cc(-c2nnn[n-]2)n1 ZINC001571123081 952528295 /nfs/dbraw/zinc/52/82/95/952528295.db2.gz NWQKDRRSXORPIY-NEPJUHHUSA-N -1 1 376.440 1.760 20 0 GDADMM CCc1nc(NC[C@H]2CCCCN2C(=O)[C@@H](F)CC)cc(-c2nn[n-]n2)n1 ZINC001571123081 952528301 /nfs/dbraw/zinc/52/83/01/952528301.db2.gz NWQKDRRSXORPIY-NEPJUHHUSA-N -1 1 376.440 1.760 20 0 GDADMM C[C@H]1COCC[C@@H]1C(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571123357 952529860 /nfs/dbraw/zinc/52/98/60/952529860.db2.gz QNIUKUDBTMYZDW-FZMZJTMJSA-N -1 1 376.486 1.243 20 0 GDADMM O=C(c1ccccc1)N1C[C@H]2CCC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001571124162 952534957 /nfs/dbraw/zinc/53/49/57/952534957.db2.gz ZVKCUPZKXOZODA-GASCZTMLSA-N -1 1 376.424 1.540 20 0 GDADMM O=C(c1ccccc1)N1C[C@H]2CCC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001571124162 952534962 /nfs/dbraw/zinc/53/49/62/952534962.db2.gz ZVKCUPZKXOZODA-GASCZTMLSA-N -1 1 376.424 1.540 20 0 GDADMM O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001571124324 952536996 /nfs/dbraw/zinc/53/69/96/952536996.db2.gz FTFDEZAJYYOCQU-LBPRGKRZSA-N -1 1 377.326 1.617 20 0 GDADMM O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001571124324 952537000 /nfs/dbraw/zinc/53/70/00/952537000.db2.gz FTFDEZAJYYOCQU-LBPRGKRZSA-N -1 1 377.326 1.617 20 0 GDADMM CC[C@@H](OC)C(=O)N1CC[C@H]2CN(c3snc(C)c3-c3nn[n-]n3)C[C@H]21 ZINC001571127537 952556273 /nfs/dbraw/zinc/55/62/73/952556273.db2.gz HGICTDQUSZREFW-QJPTWQEYSA-N -1 1 377.474 1.094 20 0 GDADMM Cc1nsc(N[C@@H]2CN(C(=O)C[C@H]3CCCO3)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571127605 952557954 /nfs/dbraw/zinc/55/79/54/952557954.db2.gz JODRCQSZHJNMHK-YUSALJHKSA-N -1 1 377.474 1.460 20 0 GDADMM Cc1nsc(N[C@H]2CCCN(C(=O)C[C@H]3CCOC3)C2)c1-c1nn[n-]n1 ZINC001571128790 952571053 /nfs/dbraw/zinc/57/10/53/952571053.db2.gz XOYLDUCAICYEEY-NEPJUHHUSA-N -1 1 377.474 1.461 20 0 GDADMM O=C(N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1)C1(C(F)F)CCC1 ZINC001571129212 952573390 /nfs/dbraw/zinc/57/33/90/952573390.db2.gz AYZOGRBEGIQLQP-UHFFFAOYSA-N -1 1 378.387 1.495 20 0 GDADMM O=C(N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1)C1(C(F)F)CCC1 ZINC001571129212 952573393 /nfs/dbraw/zinc/57/33/93/952573393.db2.gz AYZOGRBEGIQLQP-UHFFFAOYSA-N -1 1 378.387 1.495 20 0 GDADMM Cc1c(-c2nnn[n-]2)nn(-c2cccnc2)c1NC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC001571129167 952573431 /nfs/dbraw/zinc/57/34/31/952573431.db2.gz ASGCAWDQJGHLDF-UHTWSYAYSA-N -1 1 378.396 1.310 20 0 GDADMM Cc1c(-c2nn[n-]n2)nn(-c2cccnc2)c1NC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC001571129167 952573433 /nfs/dbraw/zinc/57/34/33/952573433.db2.gz ASGCAWDQJGHLDF-UHTWSYAYSA-N -1 1 378.396 1.310 20 0 GDADMM O=C([C@@H]1CC1(F)F)N1CCCCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571130231 952579521 /nfs/dbraw/zinc/57/95/21/952579521.db2.gz QHCRJKHALOTQBY-MNOVXSKESA-N -1 1 378.387 1.495 20 0 GDADMM O=C([C@@H]1CC1(F)F)N1CCCCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571130231 952579524 /nfs/dbraw/zinc/57/95/24/952579524.db2.gz QHCRJKHALOTQBY-MNOVXSKESA-N -1 1 378.387 1.495 20 0 GDADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)Cc2ccccc2)CC1 ZINC001571134445 952590977 /nfs/dbraw/zinc/59/09/77/952590977.db2.gz GMVMYZOVBMXUAJ-UHFFFAOYSA-N -1 1 378.440 1.692 20 0 GDADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)Cc2ccccc2)CC1 ZINC001571134445 952590979 /nfs/dbraw/zinc/59/09/79/952590979.db2.gz GMVMYZOVBMXUAJ-UHFFFAOYSA-N -1 1 378.440 1.692 20 0 GDADMM Cc1cccc([C@H](C)C(=O)N2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)c1 ZINC001571134503 952591544 /nfs/dbraw/zinc/59/15/44/952591544.db2.gz JGJUXQCBJWDONP-AWEZNQCLSA-N -1 1 378.440 1.417 20 0 GDADMM Cc1cccc(C(=O)N[C@@H]2CCCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)c1 ZINC001571135185 952600391 /nfs/dbraw/zinc/60/03/91/952600391.db2.gz SPKWQWSDGIXTHG-OAHLLOKOSA-N -1 1 378.440 1.672 20 0 GDADMM Cc1cccc(C(=O)N[C@@H]2CCCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)c1 ZINC001571135185 952600394 /nfs/dbraw/zinc/60/03/94/952600394.db2.gz SPKWQWSDGIXTHG-OAHLLOKOSA-N -1 1 378.440 1.672 20 0 GDADMM Cc1ccc(C(=O)N2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C[C@@H]2C)c(C)c1 ZINC001571135340 952602143 /nfs/dbraw/zinc/60/21/43/952602143.db2.gz VZVYJFZNIGOSPT-KBPBESRZSA-N -1 1 378.440 1.989 20 0 GDADMM Cc1ccc(C(=O)N2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C[C@@H]2C)c(C)c1 ZINC001571135340 952602145 /nfs/dbraw/zinc/60/21/45/952602145.db2.gz VZVYJFZNIGOSPT-KBPBESRZSA-N -1 1 378.440 1.989 20 0 GDADMM Cc1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)cc1C ZINC001571135475 952604380 /nfs/dbraw/zinc/60/43/80/952604380.db2.gz YKKOIJCTHPODEA-CZUORRHYSA-N -1 1 378.440 1.846 20 0 GDADMM Cc1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)cc1C ZINC001571135475 952604386 /nfs/dbraw/zinc/60/43/86/952604386.db2.gz YKKOIJCTHPODEA-CZUORRHYSA-N -1 1 378.440 1.846 20 0 GDADMM Cc1cccc(C(=O)N[C@H]2CC[C@H](CNc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571135502 952604514 /nfs/dbraw/zinc/60/45/14/952604514.db2.gz ZEFJMWYRZFWXAD-ZFWWWQNUSA-N -1 1 378.440 1.976 20 0 GDADMM Cc1cccc(C(=O)N[C@H]2CC[C@H](CNc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571135502 952604516 /nfs/dbraw/zinc/60/45/16/952604516.db2.gz ZEFJMWYRZFWXAD-ZFWWWQNUSA-N -1 1 378.440 1.976 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@H]2CN(C)c2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001571135505 952604736 /nfs/dbraw/zinc/60/47/36/952604736.db2.gz ZKEMYIIWIYIGPY-HNNXBMFYSA-N -1 1 378.440 1.706 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@H]2CN(C)c2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001571135505 952604740 /nfs/dbraw/zinc/60/47/40/952604740.db2.gz ZKEMYIIWIYIGPY-HNNXBMFYSA-N -1 1 378.440 1.706 20 0 GDADMM C[C@H](c1ccccc1)N(C)C(=O)Cn1c2c(cc(-c3nn[n-]n3)c1=O)CCC2 ZINC001571135952 952610934 /nfs/dbraw/zinc/61/09/34/952610934.db2.gz JAOWXOPIJLALID-CYBMUJFWSA-N -1 1 378.436 1.737 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CC[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571140479 952626659 /nfs/dbraw/zinc/62/66/59/952626659.db2.gz AONYXRMFJXSANL-QMMMGPOBSA-N -1 1 378.849 1.940 20 0 GDADMM CC(C)S(=O)(=O)c1ccc(F)c(C(=O)Nc2c[nH]nc2-c2nn[n-]n2)c1 ZINC001571141666 952635258 /nfs/dbraw/zinc/63/52/58/952635258.db2.gz YHWFJBDUBCOZQK-UHFFFAOYSA-N -1 1 379.377 1.163 20 0 GDADMM O=C(NC[C@@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1)C1C=CC=CC=C1 ZINC001571141993 952637897 /nfs/dbraw/zinc/63/78/97/952637897.db2.gz MTZQLRJAFQQFSY-HNNXBMFYSA-N -1 1 378.440 1.430 20 0 GDADMM O=C(NC[C@@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1)C1C=CC=CC=C1 ZINC001571141993 952637899 /nfs/dbraw/zinc/63/78/99/952637899.db2.gz MTZQLRJAFQQFSY-HNNXBMFYSA-N -1 1 378.440 1.430 20 0 GDADMM CN(c1snc(Cl)c1-c1nnn[n-]1)[C@H]1CCN(C(=O)c2ccc[nH]2)C1 ZINC001571142306 952639772 /nfs/dbraw/zinc/63/97/72/952639772.db2.gz OSGMTKJFRFQVKQ-QMMMGPOBSA-N -1 1 378.849 1.656 20 0 GDADMM CN(c1snc(Cl)c1-c1nn[n-]n1)[C@H]1CCN(C(=O)c2ccc[nH]2)C1 ZINC001571142306 952639773 /nfs/dbraw/zinc/63/97/73/952639773.db2.gz OSGMTKJFRFQVKQ-QMMMGPOBSA-N -1 1 378.849 1.656 20 0 GDADMM CC(C)(C)OC(=O)N1CC(CC(=O)NCc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571142351 952641180 /nfs/dbraw/zinc/64/11/80/952641180.db2.gz PVHPIJYDUMEEHT-UHFFFAOYSA-N -1 1 378.458 1.801 20 0 GDADMM O=C(c1c[nH]cc1C1CC1)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571147092 952656254 /nfs/dbraw/zinc/65/62/54/952656254.db2.gz SUKDWBRNYHRTBU-GFCCVEGCSA-N -1 1 379.428 1.579 20 0 GDADMM O=C(c1c[nH]cc1C1CC1)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571147092 952656256 /nfs/dbraw/zinc/65/62/56/952656256.db2.gz SUKDWBRNYHRTBU-GFCCVEGCSA-N -1 1 379.428 1.579 20 0 GDADMM CCc1cncc(C(=O)N2C[C@H](Nc3nccnc3-c3nnn[n-]3)[C@@H](C)C2)c1 ZINC001571147865 952664358 /nfs/dbraw/zinc/66/43/58/952664358.db2.gz RFOIKXZDDVQSLO-FZMZJTMJSA-N -1 1 379.428 1.187 20 0 GDADMM CCc1cncc(C(=O)N2C[C@H](Nc3nccnc3-c3nn[n-]n3)[C@@H](C)C2)c1 ZINC001571147865 952664362 /nfs/dbraw/zinc/66/43/62/952664362.db2.gz RFOIKXZDDVQSLO-FZMZJTMJSA-N -1 1 379.428 1.187 20 0 GDADMM C[C@@H]1[C@H](CO)CCN1S(=O)(=O)c1c2ccccc2sc1-c1nn[n-]n1 ZINC001571150664 952669286 /nfs/dbraw/zinc/66/92/86/952669286.db2.gz DPFXYIGKUDNPKI-ZJUUUORDSA-N -1 1 379.467 1.473 20 0 GDADMM O=C(C1CC1)N1CCC[C@H]2[C@@H]1CCN2c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001571152048 952680942 /nfs/dbraw/zinc/68/09/42/952680942.db2.gz BSFLTAQEVXQDGV-UWVGGRQHSA-N -1 1 379.877 1.956 20 0 GDADMM C[C@@H]1CC[C@H](NC(=O)c2ccccc2O)CN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571155497 952698304 /nfs/dbraw/zinc/69/83/04/952698304.db2.gz UPMBXBSGUNYPLK-NEPJUHHUSA-N -1 1 380.412 1.150 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CC[C@H](C)N(c3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001571156758 952704485 /nfs/dbraw/zinc/70/44/85/952704485.db2.gz IWCMRETUHOLKQN-JSGCOSHPSA-N -1 1 379.428 1.147 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CC[C@H](C)N(c3cnc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001571156758 952704488 /nfs/dbraw/zinc/70/44/88/952704488.db2.gz IWCMRETUHOLKQN-JSGCOSHPSA-N -1 1 379.428 1.147 20 0 GDADMM Cc1cc(C(=O)NCC2CCN(c3nccnc3-c3nnn[n-]3)CC2)ccn1 ZINC001571157207 952706704 /nfs/dbraw/zinc/70/67/04/952706704.db2.gz NMGLSMJBPPUNFV-UHFFFAOYSA-N -1 1 379.428 1.007 20 0 GDADMM Cc1cc(C(=O)NCC2CCN(c3nccnc3-c3nn[n-]n3)CC2)ccn1 ZINC001571157207 952706708 /nfs/dbraw/zinc/70/67/08/952706708.db2.gz NMGLSMJBPPUNFV-UHFFFAOYSA-N -1 1 379.428 1.007 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC2CCN(C(=O)c3ccccc3O)CC2)n1 ZINC001571158502 952712513 /nfs/dbraw/zinc/71/25/13/952712513.db2.gz JUKHTQSATASMEE-UHFFFAOYSA-N -1 1 380.412 1.387 20 0 GDADMM Cc1cc(C(=O)N2C[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]3C2)oc1C ZINC001571158723 952714804 /nfs/dbraw/zinc/71/48/04/952714804.db2.gz NJSDSUBFBFODFJ-BETUJISGSA-N -1 1 380.412 1.075 20 0 GDADMM Cc1cc(C(=O)N2C[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]3C2)oc1C ZINC001571158723 952714809 /nfs/dbraw/zinc/71/48/09/952714809.db2.gz NJSDSUBFBFODFJ-BETUJISGSA-N -1 1 380.412 1.075 20 0 GDADMM COc1ccccc1C(=O)N(C)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571159020 952717345 /nfs/dbraw/zinc/71/73/45/952717345.db2.gz PGLVANQEBTYAEU-LBPRGKRZSA-N -1 1 380.412 1.016 20 0 GDADMM COc1ccccc1C(=O)N(C)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571159020 952717349 /nfs/dbraw/zinc/71/73/49/952717349.db2.gz PGLVANQEBTYAEU-LBPRGKRZSA-N -1 1 380.412 1.016 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccco2)CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571159284 952718672 /nfs/dbraw/zinc/71/86/72/952718672.db2.gz TVBJFCZZWWKAIS-LPWJVIDDSA-N -1 1 380.412 1.137 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccco2)CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571159284 952718677 /nfs/dbraw/zinc/71/86/77/952718677.db2.gz TVBJFCZZWWKAIS-LPWJVIDDSA-N -1 1 380.412 1.137 20 0 GDADMM Cc1ccc(OCC(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001571159724 952722189 /nfs/dbraw/zinc/72/21/89/952722189.db2.gz ZJIDENFMEDTDBO-ZDUSSCGKSA-N -1 1 380.412 1.057 20 0 GDADMM Cc1ccc(OCC(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571159724 952722194 /nfs/dbraw/zinc/72/21/94/952722194.db2.gz ZJIDENFMEDTDBO-ZDUSSCGKSA-N -1 1 380.412 1.057 20 0 GDADMM Cc1ccoc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1 ZINC001571160275 952725317 /nfs/dbraw/zinc/72/53/17/952725317.db2.gz GEPSVEZLFCCDTO-UPJWGTAASA-N -1 1 380.412 1.027 20 0 GDADMM Cc1ccoc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1 ZINC001571160275 952725320 /nfs/dbraw/zinc/72/53/20/952725320.db2.gz GEPSVEZLFCCDTO-UPJWGTAASA-N -1 1 380.412 1.027 20 0 GDADMM O=C(Cc1ccco1)N[C@]12CCC[C@@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571161625 952734309 /nfs/dbraw/zinc/73/43/09/952734309.db2.gz YZANPOCBAHBRHM-KSSFIOAISA-N -1 1 380.412 1.110 20 0 GDADMM O=C(Cc1ccco1)N[C@]12CCC[C@@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001571161625 952734313 /nfs/dbraw/zinc/73/43/13/952734313.db2.gz YZANPOCBAHBRHM-KSSFIOAISA-N -1 1 380.412 1.110 20 0 GDADMM O=C([C@@H]1CCC[C@H]2C[C@H]21)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001571172154 952802909 /nfs/dbraw/zinc/80/29/09/952802909.db2.gz NZVGNOZDIJHRFK-VQJWOFKYSA-N -1 1 380.456 1.273 20 0 GDADMM O=C([C@@H]1CCC[C@H]2C[C@H]21)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001571172154 952802913 /nfs/dbraw/zinc/80/29/13/952802913.db2.gz NZVGNOZDIJHRFK-VQJWOFKYSA-N -1 1 380.456 1.273 20 0 GDADMM O=C(C1CC2(CC2)C1)N1CC[C@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571172316 952806135 /nfs/dbraw/zinc/80/61/35/952806135.db2.gz SMZPHYJOIHGJEB-IBGZPJMESA-N -1 1 380.456 1.276 20 0 GDADMM O=C(C1CC2(CC2)C1)N1CC[C@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571172316 952806141 /nfs/dbraw/zinc/80/61/41/952806141.db2.gz SMZPHYJOIHGJEB-IBGZPJMESA-N -1 1 380.456 1.276 20 0 GDADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O ZINC001571172579 952807821 /nfs/dbraw/zinc/80/78/21/952807821.db2.gz XQDJKINBEJLBOM-UHFFFAOYSA-N -1 1 381.274 1.647 20 0 GDADMM Cc1ncoc1C(=O)N[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571172836 952809332 /nfs/dbraw/zinc/80/93/32/952809332.db2.gz YTTWHEDEQUCRLZ-SSDOTTSWSA-N -1 1 380.821 1.282 20 0 GDADMM O=C(N1CC[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)[C@]12C[C@H]1CCC2 ZINC001571172870 952810242 /nfs/dbraw/zinc/81/02/42/952810242.db2.gz ZWISWEXZAVSSFD-VYGYDYRJSA-N -1 1 380.456 1.417 20 0 GDADMM O=C(N1CC[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)[C@]12C[C@H]1CCC2 ZINC001571172870 952810249 /nfs/dbraw/zinc/81/02/49/952810249.db2.gz ZWISWEXZAVSSFD-VYGYDYRJSA-N -1 1 380.456 1.417 20 0 GDADMM C[C@@H]1CN(C(=O)c2conc2C2CC2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571175256 952817984 /nfs/dbraw/zinc/81/79/84/952817984.db2.gz RARJTGACFBIWOH-NOZJJQNGSA-N -1 1 381.400 1.095 20 0 GDADMM C[C@@H]1CN(C(=O)c2conc2C2CC2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571175256 952817991 /nfs/dbraw/zinc/81/79/91/952817991.db2.gz RARJTGACFBIWOH-NOZJJQNGSA-N -1 1 381.400 1.095 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cnc(C2CC2)o1 ZINC001571175406 952820886 /nfs/dbraw/zinc/82/08/86/952820886.db2.gz BZYAEUNFRMQGTK-JGZJWPJOSA-N -1 1 381.400 1.143 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cnc(C2CC2)o1 ZINC001571175406 952820890 /nfs/dbraw/zinc/82/08/90/952820890.db2.gz BZYAEUNFRMQGTK-JGZJWPJOSA-N -1 1 381.400 1.143 20 0 GDADMM O=C(c1cc(C2CC2)on1)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571178450 952841915 /nfs/dbraw/zinc/84/19/15/952841915.db2.gz JBAPHOGOHBWIBP-SNVBAGLBSA-N -1 1 381.400 1.096 20 0 GDADMM O=C(c1cc(C2CC2)on1)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571178450 952841919 /nfs/dbraw/zinc/84/19/19/952841919.db2.gz JBAPHOGOHBWIBP-SNVBAGLBSA-N -1 1 381.400 1.096 20 0 GDADMM CCCc1[nH]ccc1C(=O)N1C[C@H](Nc2nccnc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001571183592 952879357 /nfs/dbraw/zinc/87/93/57/952879357.db2.gz FKCRDRWGDREQOX-FZMZJTMJSA-N -1 1 381.444 1.510 20 0 GDADMM CCCc1[nH]ccc1C(=O)N1C[C@H](Nc2nccnc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001571183592 952879359 /nfs/dbraw/zinc/87/93/59/952879359.db2.gz FKCRDRWGDREQOX-FZMZJTMJSA-N -1 1 381.444 1.510 20 0 GDADMM CCCc1[nH]ccc1C(=O)N1CC[C@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571183785 952882966 /nfs/dbraw/zinc/88/29/66/952882966.db2.gz JKWGGEVJUUPWMN-LBPRGKRZSA-N -1 1 381.444 1.288 20 0 GDADMM CCCc1[nH]ccc1C(=O)N1CC[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571183785 952882970 /nfs/dbraw/zinc/88/29/70/952882970.db2.gz JKWGGEVJUUPWMN-LBPRGKRZSA-N -1 1 381.444 1.288 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H](CNC(=O)c3ccc[nH]3)[C@H](C)C2)n1 ZINC001571184339 952891676 /nfs/dbraw/zinc/89/16/76/952891676.db2.gz WVEXIBHQUKDZOX-VXGBXAGGSA-N -1 1 381.444 1.050 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H](CNC(=O)c3ccc[nH]3)[C@H](C)C2)n1 ZINC001571184339 952891679 /nfs/dbraw/zinc/89/16/79/952891679.db2.gz WVEXIBHQUKDZOX-VXGBXAGGSA-N -1 1 381.444 1.050 20 0 GDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCN(C(=O)c2cccn2C)C1 ZINC001571184396 952891883 /nfs/dbraw/zinc/89/18/83/952891883.db2.gz YJUNNLRGWHUBTN-OLZOCXBDSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCN(C(=O)c2cccn2C)C1 ZINC001571184396 952891886 /nfs/dbraw/zinc/89/18/86/952891886.db2.gz YJUNNLRGWHUBTN-OLZOCXBDSA-N -1 1 381.444 1.348 20 0 GDADMM CCn1cccc1C(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571185795 952904299 /nfs/dbraw/zinc/90/42/99/952904299.db2.gz PPUIXENOOZSLSQ-ZDUSSCGKSA-N -1 1 381.444 1.007 20 0 GDADMM CCn1ccc(C(=O)NC2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)c1C ZINC001571185838 952904327 /nfs/dbraw/zinc/90/43/27/952904327.db2.gz QNKVVLDJCKCBDZ-UHFFFAOYSA-N -1 1 381.444 1.185 20 0 GDADMM CCn1cccc1C(=O)N1CC[C@H]([C@@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571186251 952905111 /nfs/dbraw/zinc/90/51/11/952905111.db2.gz UHMGNDXQHWBKJC-OLZOCXBDSA-N -1 1 381.444 1.441 20 0 GDADMM CCn1cccc1C(=O)N1CC[C@H]([C@@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571186251 952905114 /nfs/dbraw/zinc/90/51/14/952905114.db2.gz UHMGNDXQHWBKJC-OLZOCXBDSA-N -1 1 381.444 1.441 20 0 GDADMM Cc1c(C(=O)N2CCC[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)ccn1C ZINC001571186136 952905518 /nfs/dbraw/zinc/90/55/18/952905518.db2.gz TYXUZHRMAGOFOT-CYBMUJFWSA-N -1 1 381.444 1.268 20 0 GDADMM Cc1c(C(=O)N2CCC[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)ccn1C ZINC001571186136 952905521 /nfs/dbraw/zinc/90/55/21/952905521.db2.gz TYXUZHRMAGOFOT-CYBMUJFWSA-N -1 1 381.444 1.268 20 0 GDADMM Cc1cc(C(=O)N[C@@]2(C)CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c(C)n1C ZINC001571188004 952911454 /nfs/dbraw/zinc/91/14/54/952911454.db2.gz FNWRGKPPPOKRHX-SFHVURJKSA-N -1 1 381.444 1.011 20 0 GDADMM O=C(Cc1ccc[nH]1)N1CCC[C@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001571188461 952914996 /nfs/dbraw/zinc/91/49/96/952914996.db2.gz BDFJWIQOZBNJGB-CYBMUJFWSA-N -1 1 381.444 1.268 20 0 GDADMM O=C(Cc1ccc[nH]1)N1CCC[C@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001571188461 952915007 /nfs/dbraw/zinc/91/50/07/952915007.db2.gz BDFJWIQOZBNJGB-CYBMUJFWSA-N -1 1 381.444 1.268 20 0 GDADMM Cc1ccc(CNC(=O)Cn2c3c(cc(-c4nn[n-]n4)c2=O)CCC3)cc1F ZINC001571194562 952964899 /nfs/dbraw/zinc/96/48/99/952964899.db2.gz OMEWYXNBEMUQQQ-UHFFFAOYSA-N -1 1 382.399 1.281 20 0 GDADMM Cc1cc(F)cc(C(=O)N[C@@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)c1 ZINC001571195739 952978482 /nfs/dbraw/zinc/97/84/82/952978482.db2.gz FOFQOHAPCPBHBC-CQSZACIVSA-N -1 1 382.403 1.421 20 0 GDADMM Cc1cc(F)cc(C(=O)N[C@@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)c1 ZINC001571195739 952978487 /nfs/dbraw/zinc/97/84/87/952978487.db2.gz FOFQOHAPCPBHBC-CQSZACIVSA-N -1 1 382.403 1.421 20 0 GDADMM O=C([C@H](F)c1ccccc1)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571195729 952979325 /nfs/dbraw/zinc/97/93/25/952979325.db2.gz FMDANCUNOMEFMT-CZUORRHYSA-N -1 1 382.403 1.770 20 0 GDADMM O=C([C@H](F)c1ccccc1)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571195729 952979326 /nfs/dbraw/zinc/97/93/26/952979326.db2.gz FMDANCUNOMEFMT-CZUORRHYSA-N -1 1 382.403 1.770 20 0 GDADMM Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c(F)c1 ZINC001571196976 952986060 /nfs/dbraw/zinc/98/60/60/952986060.db2.gz QZQGQBPVGNILPU-ABAIWWIYSA-N -1 1 382.403 1.677 20 0 GDADMM Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c(F)c1 ZINC001571196976 952986067 /nfs/dbraw/zinc/98/60/67/952986067.db2.gz QZQGQBPVGNILPU-ABAIWWIYSA-N -1 1 382.403 1.677 20 0 GDADMM Cc1c(F)cccc1C(=O)N(C)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571197341 952987976 /nfs/dbraw/zinc/98/79/76/952987976.db2.gz XHEXHZZWRSDBNI-LBPRGKRZSA-N -1 1 382.403 1.455 20 0 GDADMM Cc1c(F)cccc1C(=O)N(C)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571197341 952987981 /nfs/dbraw/zinc/98/79/81/952987981.db2.gz XHEXHZZWRSDBNI-LBPRGKRZSA-N -1 1 382.403 1.455 20 0 GDADMM C[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cccc(F)c1 ZINC001571197356 952988499 /nfs/dbraw/zinc/98/84/99/952988499.db2.gz XTVZKCGOWPQOIT-FZMZJTMJSA-N -1 1 382.403 1.901 20 0 GDADMM C[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cccc(F)c1 ZINC001571197356 952988503 /nfs/dbraw/zinc/98/85/03/952988503.db2.gz XTVZKCGOWPQOIT-FZMZJTMJSA-N -1 1 382.403 1.901 20 0 GDADMM Cc1c(F)cccc1C(=O)N(C)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571197340 952988740 /nfs/dbraw/zinc/98/87/40/952988740.db2.gz XHEXHZZWRSDBNI-GFCCVEGCSA-N -1 1 382.403 1.455 20 0 GDADMM Cc1c(F)cccc1C(=O)N(C)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571197340 952988748 /nfs/dbraw/zinc/98/87/48/952988748.db2.gz XHEXHZZWRSDBNI-GFCCVEGCSA-N -1 1 382.403 1.455 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)c3ccc(F)cc3)[C@H]2C)n1 ZINC001571197292 952988755 /nfs/dbraw/zinc/98/87/55/952988755.db2.gz VQGWRLHJJADHRJ-FZMZJTMJSA-N -1 1 382.403 1.819 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)c3ccc(F)cc3)[C@H]2C)n1 ZINC001571197292 952988756 /nfs/dbraw/zinc/98/87/56/952988756.db2.gz VQGWRLHJJADHRJ-FZMZJTMJSA-N -1 1 382.403 1.819 20 0 GDADMM C[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cccc(F)c1 ZINC001571197355 952988888 /nfs/dbraw/zinc/98/88/88/952988888.db2.gz XTVZKCGOWPQOIT-BXUZGUMPSA-N -1 1 382.403 1.901 20 0 GDADMM C[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cccc(F)c1 ZINC001571197355 952988891 /nfs/dbraw/zinc/98/88/91/952988891.db2.gz XTVZKCGOWPQOIT-BXUZGUMPSA-N -1 1 382.403 1.901 20 0 GDADMM Cc1cc(C(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C[C@H]2C)ccc1F ZINC001571197399 952990075 /nfs/dbraw/zinc/99/00/75/952990075.db2.gz ZDEDPITVKNSECI-DGCLKSJQSA-N -1 1 382.403 1.819 20 0 GDADMM Cc1cc(C(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C[C@H]2C)ccc1F ZINC001571197399 952990079 /nfs/dbraw/zinc/99/00/79/952990079.db2.gz ZDEDPITVKNSECI-DGCLKSJQSA-N -1 1 382.403 1.819 20 0 GDADMM C[C@@H]1C[C@@H](NC(=O)c2ccc(F)cc2)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571197375 952990267 /nfs/dbraw/zinc/99/02/67/952990267.db2.gz YGTRUJSHNILSRQ-RISCZKNCSA-N -1 1 382.403 1.583 20 0 GDADMM CCc1nc(N[C@H]2CCN(C(=O)c3ccoc3)C[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571198775 952993836 /nfs/dbraw/zinc/99/38/36/952993836.db2.gz GFAOZYMEPJHSLG-AAEUAGOBSA-N -1 1 382.428 1.775 20 0 GDADMM CCc1nc(N[C@H]2CCN(C(=O)c3ccoc3)C[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571198775 952993847 /nfs/dbraw/zinc/99/38/47/952993847.db2.gz GFAOZYMEPJHSLG-AAEUAGOBSA-N -1 1 382.428 1.775 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CC[C@@H](C)N(c3nccnc3-c3nnn[n-]3)C2)oc1C ZINC001571200555 953009950 /nfs/dbraw/zinc/00/99/50/953009950.db2.gz DLBYATHVKUASSM-DGCLKSJQSA-N -1 1 382.428 1.654 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CC[C@@H](C)N(c3nccnc3-c3nn[n-]n3)C2)oc1C ZINC001571200555 953009958 /nfs/dbraw/zinc/00/99/58/953009958.db2.gz DLBYATHVKUASSM-DGCLKSJQSA-N -1 1 382.428 1.654 20 0 GDADMM Cc1cc(C)c(C(=O)N2CCC[C@H]2CN(C)c2ccc(-c3nnn[n-]3)nn2)o1 ZINC001571200758 953011771 /nfs/dbraw/zinc/01/17/71/953011771.db2.gz FTCDSTNXVKZCLS-ZDUSSCGKSA-N -1 1 382.428 1.608 20 0 GDADMM Cc1cc(C)c(C(=O)N2CCC[C@H]2CN(C)c2ccc(-c3nn[n-]n3)nn2)o1 ZINC001571200758 953011772 /nfs/dbraw/zinc/01/17/72/953011772.db2.gz FTCDSTNXVKZCLS-ZDUSSCGKSA-N -1 1 382.428 1.608 20 0 GDADMM O=C(NC1CC(CNc2cnc(-c3nnn[n-]3)cn2)C1)[C@@H](F)c1ccccc1 ZINC001571201127 953015056 /nfs/dbraw/zinc/01/50/56/953015056.db2.gz NCVHIWYGJIHVJD-TZDAIYRESA-N -1 1 382.403 1.674 20 0 GDADMM O=C(NC1CC(CNc2cnc(-c3nn[n-]n3)cn2)C1)[C@@H](F)c1ccccc1 ZINC001571201127 953015058 /nfs/dbraw/zinc/01/50/58/953015058.db2.gz NCVHIWYGJIHVJD-TZDAIYRESA-N -1 1 382.403 1.674 20 0 GDADMM C[C@H]1CCCN(C(=O)Cc2ccco2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571201139 953015605 /nfs/dbraw/zinc/01/56/05/953015605.db2.gz NOGUOOLHFUUTJE-WFASDCNBSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@H]1CCCN(C(=O)Cc2ccco2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571201139 953015611 /nfs/dbraw/zinc/01/56/11/953015611.db2.gz NOGUOOLHFUUTJE-WFASDCNBSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@H](CC(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)c1ccco1 ZINC001571201404 953017949 /nfs/dbraw/zinc/01/79/49/953017949.db2.gz PUCXXNZAUCREBO-CYBMUJFWSA-N -1 1 382.428 1.482 20 0 GDADMM C[C@H](CC(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)c1ccco1 ZINC001571201404 953017952 /nfs/dbraw/zinc/01/79/52/953017952.db2.gz PUCXXNZAUCREBO-CYBMUJFWSA-N -1 1 382.428 1.482 20 0 GDADMM Cc1ccoc1C(=O)N1CCCC[C@@H]1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001571202220 953022704 /nfs/dbraw/zinc/02/27/04/953022704.db2.gz RUMSFIZMIGODPO-CYBMUJFWSA-N -1 1 382.428 1.973 20 0 GDADMM Cc1ccoc1C(=O)N1CCCC[C@@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001571202220 953022705 /nfs/dbraw/zinc/02/27/05/953022705.db2.gz RUMSFIZMIGODPO-CYBMUJFWSA-N -1 1 382.428 1.973 20 0 GDADMM Cc1ccc([C@@H](C)C(=O)N2CCCN(c3ccnc(-c4nn[n-]n4)n3)CC2)o1 ZINC001571202618 953027505 /nfs/dbraw/zinc/02/75/05/953027505.db2.gz VXHPGNHRSQAXHF-CYBMUJFWSA-N -1 1 382.428 1.401 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@H](CCNc3nccnc3-c3nnn[n-]3)C2)o1 ZINC001571202650 953027907 /nfs/dbraw/zinc/02/79/07/953027907.db2.gz WXSOBGAUZDGBBO-ZDUSSCGKSA-N -1 1 382.428 1.451 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@H](CCNc3nccnc3-c3nn[n-]n3)C2)o1 ZINC001571202650 953027911 /nfs/dbraw/zinc/02/79/11/953027911.db2.gz WXSOBGAUZDGBBO-ZDUSSCGKSA-N -1 1 382.428 1.451 20 0 GDADMM Cc1ccoc1C(=O)N1CC[C@@H](C)[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571202839 953029445 /nfs/dbraw/zinc/02/94/45/953029445.db2.gz ZMDTVCCEVYQUIM-YPMHNXCESA-N -1 1 382.428 1.768 20 0 GDADMM Cc1ccoc1C(=O)N1CC[C@@H](C)[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571202839 953029448 /nfs/dbraw/zinc/02/94/48/953029448.db2.gz ZMDTVCCEVYQUIM-YPMHNXCESA-N -1 1 382.428 1.768 20 0 GDADMM O=C(CCc1ccco1)N1CCC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571204706 953032435 /nfs/dbraw/zinc/03/24/35/953032435.db2.gz CHKPUHSBWHAWOF-CYBMUJFWSA-N -1 1 382.428 1.533 20 0 GDADMM O=C(CCc1ccco1)N1CCC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571204706 953032439 /nfs/dbraw/zinc/03/24/39/953032439.db2.gz CHKPUHSBWHAWOF-CYBMUJFWSA-N -1 1 382.428 1.533 20 0 GDADMM CC(C)n1nccc1C(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571206095 953047100 /nfs/dbraw/zinc/04/71/00/953047100.db2.gz RTAVCJNRLAKCRI-GFCCVEGCSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1nccc1C(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571206095 953047104 /nfs/dbraw/zinc/04/71/04/953047104.db2.gz RTAVCJNRLAKCRI-GFCCVEGCSA-N -1 1 382.432 1.151 20 0 GDADMM Cc1oc(C(C)C)cc1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571207208 953060815 /nfs/dbraw/zinc/06/08/15/953060815.db2.gz XEEUERJQSTUIDU-GFCCVEGCSA-N -1 1 382.428 1.690 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2[C@@H](C)CCCN2C(=O)c2cn[nH]c2)n1 ZINC001571207243 953061449 /nfs/dbraw/zinc/06/14/49/953061449.db2.gz OYRNMVVLPKZGGI-HZMBPMFUSA-N -1 1 382.432 1.041 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2[C@@H](C)CCCN2C(=O)c2cn[nH]c2)n1 ZINC001571207243 953061451 /nfs/dbraw/zinc/06/14/51/953061451.db2.gz OYRNMVVLPKZGGI-HZMBPMFUSA-N -1 1 382.432 1.041 20 0 GDADMM Cc1[nH]nc(C(=O)N[C@@H]2CCC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c1C ZINC001571207276 953062121 /nfs/dbraw/zinc/06/21/21/953062121.db2.gz PLFNJRQUTXROTJ-NWDGAFQWSA-N -1 1 382.432 1.150 20 0 GDADMM Cc1oc(C)c(C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)c1C ZINC001571207399 953062399 /nfs/dbraw/zinc/06/23/99/953062399.db2.gz ZUQPOGXAEILFGS-ZDUSSCGKSA-N -1 1 382.428 1.574 20 0 GDADMM Cc1oc(C)c(C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)c1C ZINC001571207399 953062400 /nfs/dbraw/zinc/06/24/00/953062400.db2.gz ZUQPOGXAEILFGS-ZDUSSCGKSA-N -1 1 382.428 1.574 20 0 GDADMM CC1(C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2ccc(-c3nnn[n-]3)nn2)CCCC1 ZINC001571211588 953078708 /nfs/dbraw/zinc/07/87/08/953078708.db2.gz CMQMMGHZIKGUGD-CABCVRRESA-N -1 1 382.472 1.807 20 0 GDADMM CC1(C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2ccc(-c3nn[n-]n3)nn2)CCCC1 ZINC001571211588 953078713 /nfs/dbraw/zinc/07/87/13/953078713.db2.gz CMQMMGHZIKGUGD-CABCVRRESA-N -1 1 382.472 1.807 20 0 GDADMM C[C@@H]1C[C@H](NC(=O)C2CC3(CCC3)C2)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571212088 953084138 /nfs/dbraw/zinc/08/41/38/953084138.db2.gz IPLHBPNUMQIGMI-TZMCWYRMSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@@H]1C[C@H](NC(=O)C2CC3(CCC3)C2)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571212088 953084143 /nfs/dbraw/zinc/08/41/43/953084143.db2.gz IPLHBPNUMQIGMI-TZMCWYRMSA-N -1 1 382.472 1.711 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(C)(C)C2CCC2)n1 ZINC001571212226 953085857 /nfs/dbraw/zinc/08/58/57/953085857.db2.gz JOTKJQUNIZHTBP-NHAGDIPZSA-N -1 1 382.472 1.342 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(C)(C)C2CCC2)n1 ZINC001571212226 953085862 /nfs/dbraw/zinc/08/58/62/953085862.db2.gz JOTKJQUNIZHTBP-NHAGDIPZSA-N -1 1 382.472 1.342 20 0 GDADMM CCc1nc(N[C@H]2C[C@@H](NC(=O)C3CCC3)C23CCC3)cc(-c2nnn[n-]2)n1 ZINC001571212253 953086262 /nfs/dbraw/zinc/08/62/62/953086262.db2.gz KCVILYQBTWQNCH-UONOGXRCSA-N -1 1 382.472 1.859 20 0 GDADMM CCc1nc(N[C@H]2C[C@@H](NC(=O)C3CCC3)C23CCC3)cc(-c2nn[n-]n2)n1 ZINC001571212253 953086264 /nfs/dbraw/zinc/08/62/64/953086264.db2.gz KCVILYQBTWQNCH-UONOGXRCSA-N -1 1 382.472 1.859 20 0 GDADMM CC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)[C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC001571213002 953092423 /nfs/dbraw/zinc/09/24/23/953092423.db2.gz PNQZSBGCRFRQME-BFHYXJOUSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)[C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC001571213002 953092427 /nfs/dbraw/zinc/09/24/27/953092427.db2.gz PNQZSBGCRFRQME-BFHYXJOUSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(C)C(C(=O)N2C[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]3C2)C1(C)C ZINC001571214483 953102507 /nfs/dbraw/zinc/10/25/07/953102507.db2.gz ZSICDEZPZXFEGX-TXEJJXNPSA-N -1 1 382.472 1.234 20 0 GDADMM CC1(C)C(C(=O)N2C[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]3C2)C1(C)C ZINC001571214483 953102509 /nfs/dbraw/zinc/10/25/09/953102509.db2.gz ZSICDEZPZXFEGX-TXEJJXNPSA-N -1 1 382.472 1.234 20 0 GDADMM O=C(NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1)[C@H]1CCCC2(CC2)C1 ZINC001571216808 953104402 /nfs/dbraw/zinc/10/44/02/953104402.db2.gz APJCATXKAGIUGG-MOKVOYLWSA-N -1 1 382.472 1.934 20 0 GDADMM O=C(NCC1CC(Nc2cncc(-c3nn[n-]n3)n2)C1)[C@H]1CCCC2(CC2)C1 ZINC001571216808 953104407 /nfs/dbraw/zinc/10/44/07/953104407.db2.gz APJCATXKAGIUGG-MOKVOYLWSA-N -1 1 382.472 1.934 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)CC1)[C@]12C[C@H]1CCC2 ZINC001571217236 953106449 /nfs/dbraw/zinc/10/64/49/953106449.db2.gz CVVJZFACCPXJTJ-QGDIXAPHSA-N -1 1 382.472 1.934 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)CC1)[C@]12C[C@H]1CCC2 ZINC001571217236 953106451 /nfs/dbraw/zinc/10/64/51/953106451.db2.gz CVVJZFACCPXJTJ-QGDIXAPHSA-N -1 1 382.472 1.934 20 0 GDADMM O=C(NC[C@H]1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)[C@H]1CCCC12CC2 ZINC001571217698 953110068 /nfs/dbraw/zinc/11/00/68/953110068.db2.gz IRCIUNVUDLNTKG-BFHYXJOUSA-N -1 1 382.472 1.934 20 0 GDADMM O=C(NC[C@H]1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)[C@H]1CCCC12CC2 ZINC001571217698 953110072 /nfs/dbraw/zinc/11/00/72/953110072.db2.gz IRCIUNVUDLNTKG-BFHYXJOUSA-N -1 1 382.472 1.934 20 0 GDADMM O=C(NC[C@@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1)[C@@H]1C[C@H]1C1CCC1 ZINC001571218089 953112664 /nfs/dbraw/zinc/11/26/64/953112664.db2.gz LNNSCQBOZOZAMT-SOUVJXGZSA-N -1 1 382.472 1.568 20 0 GDADMM O=C(NC[C@@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1)[C@@H]1C[C@H]1C1CCC1 ZINC001571218089 953112667 /nfs/dbraw/zinc/11/26/67/953112667.db2.gz LNNSCQBOZOZAMT-SOUVJXGZSA-N -1 1 382.472 1.568 20 0 GDADMM O=C([C@@H]1CC2CCC1CC2)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571218469 953114755 /nfs/dbraw/zinc/11/47/55/953114755.db2.gz OVHOTRZMNKGFJJ-HXSCFSKGSA-N -1 1 382.472 1.743 20 0 GDADMM O=C([C@@H]1CC2CCC1CC2)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571218469 953114757 /nfs/dbraw/zinc/11/47/57/953114757.db2.gz OVHOTRZMNKGFJJ-HXSCFSKGSA-N -1 1 382.472 1.743 20 0 GDADMM O=C(N[C@@H]1CC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@H]2C1)C1CCCC1 ZINC001571218768 953119181 /nfs/dbraw/zinc/11/91/81/953119181.db2.gz QTMSQRRMFOFOGX-QLFBSQMISA-N -1 1 382.472 1.568 20 0 GDADMM O=C(N[C@@H]1CC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@H]2C1)C1CCCC1 ZINC001571218768 953119186 /nfs/dbraw/zinc/11/91/86/953119186.db2.gz QTMSQRRMFOFOGX-QLFBSQMISA-N -1 1 382.472 1.568 20 0 GDADMM O=C(C1CC1)N1CCC[C@H](C2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001571218855 953120084 /nfs/dbraw/zinc/12/00/84/953120084.db2.gz RZAQSIUOXSXNGN-HNNXBMFYSA-N -1 1 382.472 1.522 20 0 GDADMM O=C(C1CC1)N1CCC[C@H](C2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC001571218855 953120087 /nfs/dbraw/zinc/12/00/87/953120087.db2.gz RZAQSIUOXSXNGN-HNNXBMFYSA-N -1 1 382.472 1.522 20 0 GDADMM O=C(CC1CC1)N1CCCC[C@@H]1[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571219074 953122626 /nfs/dbraw/zinc/12/26/26/953122626.db2.gz UQESIPAWZUPLAL-GDBMZVCRSA-N -1 1 382.472 1.664 20 0 GDADMM O=C(CC1CC1)N1CCCC[C@@H]1[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571219074 953122628 /nfs/dbraw/zinc/12/26/28/953122628.db2.gz UQESIPAWZUPLAL-GDBMZVCRSA-N -1 1 382.472 1.664 20 0 GDADMM CCCc1nc(C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)co1 ZINC001571222052 953130485 /nfs/dbraw/zinc/13/04/85/953130485.db2.gz ATRWNNBDSIUHAK-ZYHUDNBSSA-N -1 1 383.416 1.170 20 0 GDADMM CCCc1nc(C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)co1 ZINC001571222052 953130487 /nfs/dbraw/zinc/13/04/87/953130487.db2.gz ATRWNNBDSIUHAK-ZYHUDNBSSA-N -1 1 383.416 1.170 20 0 GDADMM CCc1oncc1C(=O)N[C@@H]1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571222313 953133257 /nfs/dbraw/zinc/13/32/57/953133257.db2.gz DPSXVSIMLNCNAS-GHMZBOCLSA-N -1 1 383.416 1.360 20 0 GDADMM CCc1oncc1C(=O)N[C@@H]1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571222313 953133259 /nfs/dbraw/zinc/13/32/59/953133259.db2.gz DPSXVSIMLNCNAS-GHMZBOCLSA-N -1 1 383.416 1.360 20 0 GDADMM CCc1ocnc1C(=O)N1CCC[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571222761 953138383 /nfs/dbraw/zinc/13/83/83/953138383.db2.gz LNWQFQMJLKCMSK-LLVKDONJSA-N -1 1 383.416 1.232 20 0 GDADMM CCc1ocnc1C(=O)N1CCC[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571222761 953138388 /nfs/dbraw/zinc/13/83/88/953138388.db2.gz LNWQFQMJLKCMSK-LLVKDONJSA-N -1 1 383.416 1.232 20 0 GDADMM CC(C)c1cc(C(=O)NC[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)on1 ZINC001571223746 953146055 /nfs/dbraw/zinc/14/60/55/953146055.db2.gz UGTWPBCSWNOGAN-LLVKDONJSA-N -1 1 383.416 1.024 20 0 GDADMM Cc1cc(CC(=O)N[C@H]2CCC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)no1 ZINC001571224689 953150505 /nfs/dbraw/zinc/15/05/05/953150505.db2.gz CYZWAHGJMGPFGC-NEPJUHHUSA-N -1 1 383.416 1.035 20 0 GDADMM Cc1cc(CC(=O)N[C@H]2CCC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)no1 ZINC001571224689 953150506 /nfs/dbraw/zinc/15/05/06/953150506.db2.gz CYZWAHGJMGPFGC-NEPJUHHUSA-N -1 1 383.416 1.035 20 0 GDADMM Cc1nc(C(=O)N2CCC[C@H](C)[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)co1 ZINC001571225926 953154318 /nfs/dbraw/zinc/15/43/18/953154318.db2.gz OLOLIHIVKXVSLG-IINYFYTJSA-N -1 1 383.416 1.306 20 0 GDADMM Cc1nc(C(=O)N2CCC[C@H](C)[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)co1 ZINC001571225926 953154320 /nfs/dbraw/zinc/15/43/20/953154320.db2.gz OLOLIHIVKXVSLG-IINYFYTJSA-N -1 1 383.416 1.306 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)c3conc3C(C)C)C2)n1 ZINC001571226411 953155109 /nfs/dbraw/zinc/15/51/09/953155109.db2.gz QAYACSGYBQWWPP-NSHDSACASA-N -1 1 383.416 1.403 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)c3conc3C(C)C)C2)n1 ZINC001571226411 953155112 /nfs/dbraw/zinc/15/51/12/953155112.db2.gz QAYACSGYBQWWPP-NSHDSACASA-N -1 1 383.416 1.403 20 0 GDADMM Cc1nsc(N2C[C@@H](C)[C@H](NC(=O)C3CC(F)(F)C3)C2)c1-c1nn[n-]n1 ZINC001571230616 953178803 /nfs/dbraw/zinc/17/88/03/953178803.db2.gz YSZOYNIWCGJGLD-GMSGAONNSA-N -1 1 383.428 1.618 20 0 GDADMM O=C(N[C@]12CCC[C@@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2)c1cncs1 ZINC001571231144 953183217 /nfs/dbraw/zinc/18/32/17/953183217.db2.gz UBCIMCDVFMMYFP-LRDDRELGSA-N -1 1 383.441 1.045 20 0 GDADMM O=C(N[C@]12CCC[C@@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2)c1cncs1 ZINC001571231144 953183219 /nfs/dbraw/zinc/18/32/19/953183219.db2.gz UBCIMCDVFMMYFP-LRDDRELGSA-N -1 1 383.441 1.045 20 0 GDADMM Cc1nsc(N2CC[C@@H](N(C)C(=O)Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC001571233949 953197439 /nfs/dbraw/zinc/19/74/39/953197439.db2.gz IZGHHKOIOQRPQM-CQSZACIVSA-N -1 1 383.481 1.911 20 0 GDADMM O=C([C@@H]1CCCO1)N1CCCN(c2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001571234523 953202885 /nfs/dbraw/zinc/20/28/85/953202885.db2.gz ANZSTCVKPIPZJM-VIFPVBQESA-N -1 1 383.865 1.194 20 0 GDADMM COc1ccc(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)cc1F ZINC001571234607 953203581 /nfs/dbraw/zinc/20/35/81/953203581.db2.gz CZCDPSGMEAPQRX-NSHDSACASA-N -1 1 384.375 1.131 20 0 GDADMM COc1ccc(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)cc1F ZINC001571234607 953203583 /nfs/dbraw/zinc/20/35/83/953203583.db2.gz CZCDPSGMEAPQRX-NSHDSACASA-N -1 1 384.375 1.131 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC(F)(F)F)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571234578 953203972 /nfs/dbraw/zinc/20/39/72/953203972.db2.gz CHOQOPJMHCTASC-KOLCDFICSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC(F)(F)F)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571234578 953203974 /nfs/dbraw/zinc/20/39/74/953203974.db2.gz CHOQOPJMHCTASC-KOLCDFICSA-N -1 1 384.366 1.648 20 0 GDADMM COc1cccc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1F ZINC001571234780 953205229 /nfs/dbraw/zinc/20/52/29/953205229.db2.gz INLXLJXGNIVPGW-MGCOHNPYSA-N -1 1 384.375 1.177 20 0 GDADMM COc1cccc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1F ZINC001571234780 953205232 /nfs/dbraw/zinc/20/52/32/953205232.db2.gz INLXLJXGNIVPGW-MGCOHNPYSA-N -1 1 384.375 1.177 20 0 GDADMM O=C(C[C@H]1CCOC1)N1CC[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571234922 953206810 /nfs/dbraw/zinc/20/68/10/953206810.db2.gz NCPXXVMXZWSVAL-BDAKNGLRSA-N -1 1 383.865 1.416 20 0 GDADMM O=C(Nc1ccc(NC2=NCCN2)c(Cl)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC001571235177 953209123 /nfs/dbraw/zinc/20/91/23/953209123.db2.gz WBYAYVPRZVMIFN-UHFFFAOYSA-N -1 1 383.803 1.539 20 0 GDADMM COc1ccc(C(=O)N[C@H]2CC[C@H](CNc3nccnc3-c3nnn[n-]3)C2)o1 ZINC001571237936 953223872 /nfs/dbraw/zinc/22/38/72/953223872.db2.gz ONKFGVFHLFHGBX-QWRGUYRKSA-N -1 1 384.400 1.269 20 0 GDADMM COc1ccc(C(=O)N[C@H]2CC[C@H](CNc3nccnc3-c3nn[n-]n3)C2)o1 ZINC001571237936 953223875 /nfs/dbraw/zinc/22/38/75/953223875.db2.gz ONKFGVFHLFHGBX-QWRGUYRKSA-N -1 1 384.400 1.269 20 0 GDADMM COc1ccc(C(=O)N2CC[C@@H](CCNc3nccnc3-c3nnn[n-]3)C2)o1 ZINC001571237976 953223967 /nfs/dbraw/zinc/22/39/67/953223967.db2.gz PJVWIVOITLDFOM-LLVKDONJSA-N -1 1 384.400 1.223 20 0 GDADMM COc1ccc(C(=O)N2CC[C@@H](CCNc3nccnc3-c3nn[n-]n3)C2)o1 ZINC001571237976 953223970 /nfs/dbraw/zinc/22/39/70/953223970.db2.gz PJVWIVOITLDFOM-LLVKDONJSA-N -1 1 384.400 1.223 20 0 GDADMM C[C@H]1CN(C(=O)Cc2ccsc2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571244549 953265170 /nfs/dbraw/zinc/26/51/70/953265170.db2.gz AMLDKBUEXGFBIF-WCQYABFASA-N -1 1 384.469 1.467 20 0 GDADMM C[C@H]1CN(C(=O)Cc2ccsc2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571244549 953265171 /nfs/dbraw/zinc/26/51/71/953265171.db2.gz AMLDKBUEXGFBIF-WCQYABFASA-N -1 1 384.469 1.467 20 0 GDADMM CCc1cncc(C(=O)N[C@H]2CCN(c3snc(C)c3-c3nn[n-]n3)C2)c1 ZINC001571244849 953267828 /nfs/dbraw/zinc/26/78/28/953267828.db2.gz KGTCECANVQFANJ-ZDUSSCGKSA-N -1 1 384.469 1.598 20 0 GDADMM CCc1ccsc1C(=O)N1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001571245087 953269583 /nfs/dbraw/zinc/26/95/83/953269583.db2.gz NMVODGRBGJKIHG-PWSUYJOCSA-N -1 1 384.469 1.996 20 0 GDADMM CCc1ccsc1C(=O)N1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001571245087 953269586 /nfs/dbraw/zinc/26/95/86/953269586.db2.gz NMVODGRBGJKIHG-PWSUYJOCSA-N -1 1 384.469 1.996 20 0 GDADMM Cc1csc(C(=O)N2CCC(C)(Nc3ccnc(-c4nn[n-]n4)n3)CC2)c1 ZINC001571245228 953271694 /nfs/dbraw/zinc/27/16/94/953271694.db2.gz PSNNALBLBYAIOM-UHFFFAOYSA-N -1 1 384.469 1.555 20 0 GDADMM CCc1ccsc1C(=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571245251 953271743 /nfs/dbraw/zinc/27/17/43/953271743.db2.gz QOCBPMOLTOZFMH-GFCCVEGCSA-N -1 1 384.469 1.997 20 0 GDADMM CCc1ccsc1C(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571245251 953271746 /nfs/dbraw/zinc/27/17/46/953271746.db2.gz QOCBPMOLTOZFMH-GFCCVEGCSA-N -1 1 384.469 1.997 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](NC(=O)[C@H](C)c3cccs3)C2)n1 ZINC001571245272 953272494 /nfs/dbraw/zinc/27/24/94/953272494.db2.gz RCDFMRBNJKHRLA-VXGBXAGGSA-N -1 1 384.469 1.525 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)[C@H](C)c3cccs3)C2)n1 ZINC001571245272 953272496 /nfs/dbraw/zinc/27/24/96/953272496.db2.gz RCDFMRBNJKHRLA-VXGBXAGGSA-N -1 1 384.469 1.525 20 0 GDADMM Cc1sccc1C(=O)N[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001571245527 953274560 /nfs/dbraw/zinc/27/45/60/953274560.db2.gz UHHCVODNFPAIDO-MFKMUULPSA-N -1 1 384.469 1.732 20 0 GDADMM Cc1sccc1C(=O)N[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001571245527 953274561 /nfs/dbraw/zinc/27/45/61/953274561.db2.gz UHHCVODNFPAIDO-MFKMUULPSA-N -1 1 384.469 1.732 20 0 GDADMM CCc1ccc(C(=O)NC[C@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)s1 ZINC001571245644 953275105 /nfs/dbraw/zinc/27/51/05/953275105.db2.gz YAOVQPKTVZUQIZ-LLVKDONJSA-N -1 1 384.469 1.679 20 0 GDADMM CCc1ccc(C(=O)NC[C@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)s1 ZINC001571245644 953275109 /nfs/dbraw/zinc/27/51/09/953275109.db2.gz YAOVQPKTVZUQIZ-LLVKDONJSA-N -1 1 384.469 1.679 20 0 GDADMM Cc1ccc(CC(=O)N2CCC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)s1 ZINC001571245600 953275315 /nfs/dbraw/zinc/27/53/15/953275315.db2.gz WGWJTQHLOMDALM-LBPRGKRZSA-N -1 1 384.469 1.672 20 0 GDADMM Cc1ccc(CC(=O)N2CCC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)s1 ZINC001571245600 953275319 /nfs/dbraw/zinc/27/53/19/953275319.db2.gz WGWJTQHLOMDALM-LBPRGKRZSA-N -1 1 384.469 1.672 20 0 GDADMM C[C@@H]1[C@H](NC(=O)Cc2cccs2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571246101 953279837 /nfs/dbraw/zinc/27/98/37/953279837.db2.gz SPISJBMOORBKBR-DGCLKSJQSA-N -1 1 384.469 1.434 20 0 GDADMM C[C@@H]1[C@H](NC(=O)Cc2cccs2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571246101 953279841 /nfs/dbraw/zinc/27/98/41/953279841.db2.gz SPISJBMOORBKBR-DGCLKSJQSA-N -1 1 384.469 1.434 20 0 GDADMM C[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CN1C(=O)CCc1ccsc1 ZINC001571246237 953281695 /nfs/dbraw/zinc/28/16/95/953281695.db2.gz WUASDMFPJDWMPP-DGCLKSJQSA-N -1 1 384.469 1.752 20 0 GDADMM C[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CN1C(=O)CCc1ccsc1 ZINC001571246237 953281698 /nfs/dbraw/zinc/28/16/98/953281698.db2.gz WUASDMFPJDWMPP-DGCLKSJQSA-N -1 1 384.469 1.752 20 0 GDADMM C[C@@H](C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)c1cccs1 ZINC001571246320 953282377 /nfs/dbraw/zinc/28/23/77/953282377.db2.gz YBONPXYCEICTKH-LLVKDONJSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)c1cccs1 ZINC001571246320 953282381 /nfs/dbraw/zinc/28/23/81/953282381.db2.gz YBONPXYCEICTKH-LLVKDONJSA-N -1 1 384.469 1.607 20 0 GDADMM Cc1nsc(NC[C@]2(C)CCN(C(=O)c3cccnc3)C2)c1-c1nn[n-]n1 ZINC001571247793 953286170 /nfs/dbraw/zinc/28/61/70/953286170.db2.gz FFTXRIXJQZXSTM-KRWDZBQOSA-N -1 1 384.469 1.991 20 0 GDADMM O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccns1 ZINC001571248206 953290633 /nfs/dbraw/zinc/29/06/33/953290633.db2.gz NKFMVPBOHOAZLC-GJZGRUSLSA-N -1 1 384.469 1.530 20 0 GDADMM O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1ccns1 ZINC001571248206 953290636 /nfs/dbraw/zinc/29/06/36/953290636.db2.gz NKFMVPBOHOAZLC-GJZGRUSLSA-N -1 1 384.469 1.530 20 0 GDADMM Cc1nsc(N2CC[C@H](NC(=O)[C@@H](C)c3cccnc3)C2)c1-c1nn[n-]n1 ZINC001571248387 953292474 /nfs/dbraw/zinc/29/24/74/953292474.db2.gz SDUPMCATBAKZBC-GWCFXTLKSA-N -1 1 384.469 1.525 20 0 GDADMM CC(C)C(=O)N1CCC[C@@H](C2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001571249165 953301748 /nfs/dbraw/zinc/30/17/48/953301748.db2.gz FCBUHBXDJJXWBY-OAHLLOKOSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)C(=O)N1CCC[C@@H](C2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC001571249165 953301753 /nfs/dbraw/zinc/30/17/53/953301753.db2.gz FCBUHBXDJJXWBY-OAHLLOKOSA-N -1 1 384.488 1.768 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571249752 953307154 /nfs/dbraw/zinc/30/71/54/953307154.db2.gz LJZQWYCBMLDPNL-UHFFFAOYSA-N -1 1 384.488 1.554 20 0 GDADMM C[C@H](C(=O)N(C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C1CCCC1 ZINC001571251049 953314382 /nfs/dbraw/zinc/31/43/82/953314382.db2.gz VHIHHLNLLNRZHS-ZDUSSCGKSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](C(=O)N(C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C1CCCC1 ZINC001571251049 953314386 /nfs/dbraw/zinc/31/43/86/953314386.db2.gz VHIHHLNLLNRZHS-ZDUSSCGKSA-N -1 1 384.488 1.910 20 0 GDADMM CC1(C)CC(CC(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001571251120 953314513 /nfs/dbraw/zinc/31/45/13/953314513.db2.gz WDOLNZNWERDEGP-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CC(CC(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC001571251120 953314520 /nfs/dbraw/zinc/31/45/20/953314520.db2.gz WDOLNZNWERDEGP-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CC[C@@H]1C(=O)NC[C@H]1CCCCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571251386 953316543 /nfs/dbraw/zinc/31/65/43/953316543.db2.gz WVCLNGIPHODVIK-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CC[C@@H]1C(=O)NC[C@H]1CCCCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571251386 953316548 /nfs/dbraw/zinc/31/65/48/953316548.db2.gz WVCLNGIPHODVIK-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CC(C(=O)N2CCCCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571251425 953317697 /nfs/dbraw/zinc/31/76/97/953317697.db2.gz XMHBFBKPKHYPEO-AWEZNQCLSA-N -1 1 384.488 1.698 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H]3CN(C(=O)C(CC)CC)C[C@@H]3C2)n1 ZINC001571251859 953320598 /nfs/dbraw/zinc/32/05/98/953320598.db2.gz BFQUKQRHAZAFDE-OKILXGFUSA-N -1 1 384.488 1.550 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H]3CN(C(=O)C(CC)CC)C[C@@H]3C2)n1 ZINC001571251859 953320602 /nfs/dbraw/zinc/32/06/02/953320602.db2.gz BFQUKQRHAZAFDE-OKILXGFUSA-N -1 1 384.488 1.550 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H](NC(=O)C3CC(C)C3)C(C)(C)C2)n1 ZINC001571252404 953327929 /nfs/dbraw/zinc/32/79/29/953327929.db2.gz MCFMYCHEFOPPAL-ORHYLEIMSA-N -1 1 384.488 1.596 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H](NC(=O)C3CC(C)C3)C(C)(C)C2)n1 ZINC001571252404 953327931 /nfs/dbraw/zinc/32/79/31/953327931.db2.gz MCFMYCHEFOPPAL-ORHYLEIMSA-N -1 1 384.488 1.596 20 0 GDADMM CN(C(=O)CC1CC(C)(C)C1)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571252447 953328119 /nfs/dbraw/zinc/32/81/19/953328119.db2.gz MWFVQLLCNPONQH-UHFFFAOYSA-N -1 1 384.488 1.910 20 0 GDADMM CN(C(=O)CC1CC(C)(C)C1)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571252447 953328127 /nfs/dbraw/zinc/32/81/27/953328127.db2.gz MWFVQLLCNPONQH-UHFFFAOYSA-N -1 1 384.488 1.910 20 0 GDADMM CCN(CC1CCN(C(=O)CCC2CC2)CC1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571252535 953330012 /nfs/dbraw/zinc/33/00/12/953330012.db2.gz OZFSAKUXHRCGNN-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@@H]2CCCN(C(=O)C3CC(C)C3)C2)n1 ZINC001571252940 953333702 /nfs/dbraw/zinc/33/37/02/953333702.db2.gz ZKWNDVRKHOFGCU-BLZCZZARSA-N -1 1 384.488 1.686 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@@H]2CCCN(C(=O)C3CC(C)C3)C2)n1 ZINC001571252940 953333705 /nfs/dbraw/zinc/33/37/05/953333705.db2.gz ZKWNDVRKHOFGCU-BLZCZZARSA-N -1 1 384.488 1.686 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)ccc1Cl ZINC001571255526 953350965 /nfs/dbraw/zinc/35/09/65/953350965.db2.gz MVGWENXSJJTNRX-LBPRGKRZSA-N -1 1 384.831 1.945 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)ccc1Cl ZINC001571255526 953350968 /nfs/dbraw/zinc/35/09/68/953350968.db2.gz MVGWENXSJJTNRX-LBPRGKRZSA-N -1 1 384.831 1.945 20 0 GDADMM Cc1nc(C(=O)N2CCC[C@@H](C)[C@@H]2C(=O)[O-])nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000424252699 953437212 /nfs/dbraw/zinc/43/72/12/953437212.db2.gz KFIFQNOUFLDMPG-HTRCEHHLSA-N -1 1 387.322 1.038 20 0 GDADMM Cc1ccc(-c2cc(C(=O)N3CCS(=O)(=O)C[C@H]3C(=O)[O-])n[nH]2)cc1C ZINC000643433287 953908694 /nfs/dbraw/zinc/90/86/94/953908694.db2.gz WZQCQMGEPVYHCF-HNNXBMFYSA-N -1 1 377.422 1.017 20 0 GDADMM C[C@@H]1CN(CCCNC(=O)NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)C[C@@H](C)O1 ZINC001589398969 954392988 /nfs/dbraw/zinc/39/29/88/954392988.db2.gz BCPFACABKJHJAL-SVZJZCNZSA-N -1 1 383.489 1.197 20 0 GDADMM CN(CCNC(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O)Cc1ccc(F)cc1 ZINC001593750817 954405809 /nfs/dbraw/zinc/40/58/09/954405809.db2.gz IAPWABBKRDHLMW-MRXNPFEDSA-N -1 1 394.447 1.022 20 0 GDADMM CN(CCN1CC2(C1)CCOCC2)C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001593752095 954425737 /nfs/dbraw/zinc/42/57/37/954425737.db2.gz RROIXBOBCCCLBI-FQEVSTJZSA-N -1 1 389.496 1.783 20 0 GDADMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)CCc1cncs1 ZINC001594889768 954506876 /nfs/dbraw/zinc/50/68/76/954506876.db2.gz MRZFJEJSSLEOKL-KOLCDFICSA-N -1 1 379.360 1.198 20 0 GDADMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccc2cccnc2n1 ZINC001594890062 954511297 /nfs/dbraw/zinc/51/12/97/954511297.db2.gz NNPDAOSIWYJIMB-PWSUYJOCSA-N -1 1 396.325 1.366 20 0 GDADMM CN1CCN(c2cc(C(=O)N3Cc4ccccc4[C@H](C(=O)[O-])C3)ccn2)CC1 ZINC000663134927 954522940 /nfs/dbraw/zinc/52/29/40/954522940.db2.gz MRXMGMBNURLPMI-GOSISDBHSA-N -1 1 380.448 1.658 20 0 GDADMM O=C([O-])[C@@H]1CC(=O)N(C2CCN(Cc3cc(=O)[nH]c(-c4ccccc4)n3)CC2)C1 ZINC001594898757 954594278 /nfs/dbraw/zinc/59/42/78/954594278.db2.gz PJPWCCMYDDGLCY-OAHLLOKOSA-N -1 1 396.447 1.747 20 0 GDADMM CN1CC[C@H](CNC(=O)N2CCO[C@H](C(=O)[O-])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001593775328 954601823 /nfs/dbraw/zinc/60/18/23/954601823.db2.gz JJEQFWJAAPFOJB-UHOFOFEASA-N -1 1 399.850 1.967 20 0 GDADMM CN1CCC[C@@H](CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])[C@@H]1c1cccs1 ZINC001593779020 954623629 /nfs/dbraw/zinc/62/36/29/954623629.db2.gz HIJRTAXOAUPRPZ-KCQAQPDRSA-N -1 1 387.527 1.514 20 0 GDADMM O=C([O-])[C@H]1CCCN(c2ccc(CNCc3n[nH]c(C4CCOCC4)n3)o2)C1 ZINC001594916532 954759513 /nfs/dbraw/zinc/75/95/13/954759513.db2.gz NAODUYWUIPJRQU-AWEZNQCLSA-N -1 1 389.456 1.883 20 0 GDADMM CNS(=O)(=O)C[C@H]1CCCN(Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)C1 ZINC001593798215 954829890 /nfs/dbraw/zinc/82/98/90/954829890.db2.gz OLJHKAWAYBGQJD-GJZGRUSLSA-N -1 1 399.513 1.342 20 0 GDADMM O=C([O-])[C@@H]1CN(C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)Cc2ccccc21 ZINC001594947428 954923600 /nfs/dbraw/zinc/92/36/00/954923600.db2.gz SSQPEEJCZHONJI-OAHLLOKOSA-N -1 1 395.440 1.896 20 0 GDADMM COC(=O)C1CC2(C1)C[N@H+](Cc1ncc(Br)cc1[O-])C[C@H]2C(=O)[O-] ZINC001593825997 955105126 /nfs/dbraw/zinc/10/51/26/955105126.db2.gz NZZQVWVFOUDCOB-UTJYPRCQSA-N -1 1 399.241 1.636 20 0 GDADMM COC(=O)C1CC2(C1)C[N@@H+](Cc1ncc(Br)cc1[O-])C[C@H]2C(=O)[O-] ZINC001593825997 955105136 /nfs/dbraw/zinc/10/51/36/955105136.db2.gz NZZQVWVFOUDCOB-UTJYPRCQSA-N -1 1 399.241 1.636 20 0 GDADMM CN(Cc1ccccc1)C1(CNS(=O)(=O)c2n[nH]cc2C(=O)[O-])CCC1 ZINC000386866113 972086607 /nfs/dbraw/zinc/08/66/07/972086607.db2.gz KDKJLSDJZBKCMQ-UHFFFAOYSA-N -1 1 378.454 1.441 20 0 GDADMM C[C@](CNC(=O)NCc1n[nH]c(C2CCOCC2)n1)(C(=O)[O-])c1ccccc1 ZINC001589056662 955701052 /nfs/dbraw/zinc/70/10/52/955701052.db2.gz RKCJPIGWKBMLMX-LJQANCHMSA-N -1 1 387.440 1.540 20 0 GDADMM CN(C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-])c1ccc(F)cc1 ZINC000849232924 955781341 /nfs/dbraw/zinc/78/13/41/955781341.db2.gz UKADUKIMXIAGIT-RYUDHWBXSA-N -1 1 391.321 1.978 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)[O-])cc1F ZINC000851700820 955815640 /nfs/dbraw/zinc/81/56/40/955815640.db2.gz PYPOXVGEEVBVIT-RYUDHWBXSA-N -1 1 376.306 1.870 20 0 GDADMM O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccc2nccnc2c1 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/nfs/dbraw/zinc/84/86/41/598848641.db2.gz BWFVKNGUWIYFMV-JTQLQIEISA-N -1 1 396.329 1.962 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCO[C@H](C(F)(F)F)C1 ZINC000737546244 598848642 /nfs/dbraw/zinc/84/86/42/598848642.db2.gz BWFVKNGUWIYFMV-JTQLQIEISA-N -1 1 396.329 1.962 20 0 GDADMM CC(=O)NC(C)(C)c1noc(CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)n1 ZINC000735476378 598859357 /nfs/dbraw/zinc/85/93/57/598859357.db2.gz UZMZVEYUFSWLFL-UHFFFAOYSA-N -1 1 386.416 1.124 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000738354139 598874378 /nfs/dbraw/zinc/87/43/78/598874378.db2.gz HQTZBLUJIQNZAI-NWDGAFQWSA-N -1 1 383.861 1.852 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000738354139 598874379 /nfs/dbraw/zinc/87/43/79/598874379.db2.gz HQTZBLUJIQNZAI-NWDGAFQWSA-N -1 1 383.861 1.852 20 0 GDADMM FC(F)C(F)(F)CN1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000737638030 598915095 /nfs/dbraw/zinc/91/50/95/598915095.db2.gz APOQROUOQLHNEO-UHFFFAOYSA-N -1 1 385.778 1.999 20 0 GDADMM FC(F)C(F)(F)CN1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000737638030 598915097 /nfs/dbraw/zinc/91/50/97/598915097.db2.gz APOQROUOQLHNEO-UHFFFAOYSA-N -1 1 385.778 1.999 20 0 GDADMM O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738037357 598982839 /nfs/dbraw/zinc/98/28/39/598982839.db2.gz GSUUXHWUDYHVDP-KRWDZBQOSA-N -1 1 397.414 1.204 20 0 GDADMM O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738037357 598982840 /nfs/dbraw/zinc/98/28/40/598982840.db2.gz GSUUXHWUDYHVDP-KRWDZBQOSA-N -1 1 397.414 1.204 20 0 GDADMM COC(=O)C=Cc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)nc2)c(OC)c1 ZINC000736911708 598986627 /nfs/dbraw/zinc/98/66/27/598986627.db2.gz ITLSANHDBJPZFN-XBXARRHUSA-N -1 1 381.348 1.676 20 0 GDADMM COC(=O)C=Cc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)nc2)c(OC)c1 ZINC000736911708 598986629 /nfs/dbraw/zinc/98/66/29/598986629.db2.gz ITLSANHDBJPZFN-XBXARRHUSA-N -1 1 381.348 1.676 20 0 GDADMM CS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737172510 598991157 /nfs/dbraw/zinc/99/11/57/598991157.db2.gz BHZGZEFOAKPIHB-UHFFFAOYSA-N -1 1 384.421 1.258 20 0 GDADMM CS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737172510 598991158 /nfs/dbraw/zinc/99/11/58/598991158.db2.gz BHZGZEFOAKPIHB-UHFFFAOYSA-N -1 1 384.421 1.258 20 0 GDADMM CC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1OCC(=O)NC ZINC000736365558 598994005 /nfs/dbraw/zinc/99/40/05/598994005.db2.gz WWBZLBSLKOOTEA-CQSZACIVSA-N -1 1 395.423 1.268 20 0 GDADMM CC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1OCC(=O)NC ZINC000736365558 598994007 /nfs/dbraw/zinc/99/40/07/598994007.db2.gz WWBZLBSLKOOTEA-CQSZACIVSA-N -1 1 395.423 1.268 20 0 GDADMM Cc1c(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cccc1C(=O)N1CCOCC1 ZINC000737217311 598996037 /nfs/dbraw/zinc/99/60/37/598996037.db2.gz BGZDQNWIFLFYGI-UHFFFAOYSA-N -1 1 393.407 1.295 20 0 GDADMM Cc1c(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cccc1C(=O)N1CCOCC1 ZINC000737217311 598996039 /nfs/dbraw/zinc/99/60/39/598996039.db2.gz BGZDQNWIFLFYGI-UHFFFAOYSA-N -1 1 393.407 1.295 20 0 GDADMM CCOC(=O)CCN(Cc1cccnc1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736597057 598997103 /nfs/dbraw/zinc/99/71/03/598997103.db2.gz ZOIIBHUFEUFCEH-UHFFFAOYSA-N -1 1 381.396 1.252 20 0 GDADMM CCOC(=O)CCN(Cc1cccnc1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736597057 598997105 /nfs/dbraw/zinc/99/71/05/598997105.db2.gz ZOIIBHUFEUFCEH-UHFFFAOYSA-N -1 1 381.396 1.252 20 0 GDADMM COc1cc(OC)c(CCNC(=O)c2ccc(-c3nnn[n-]3)nc2)c(OC)c1 ZINC000737052666 599004276 /nfs/dbraw/zinc/00/42/76/599004276.db2.gz VDAFDOZWFBPTRG-UHFFFAOYSA-N -1 1 384.396 1.260 20 0 GDADMM COc1cc(OC)c(CCNC(=O)c2ccc(-c3nn[n-]n3)nc2)c(OC)c1 ZINC000737052666 599004278 /nfs/dbraw/zinc/00/42/78/599004278.db2.gz VDAFDOZWFBPTRG-UHFFFAOYSA-N -1 1 384.396 1.260 20 0 GDADMM O=C(Nc1cccc(F)c1)[C@@H]1CSCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738185408 599004839 /nfs/dbraw/zinc/00/48/39/599004839.db2.gz XDTKYRFNFONQNT-AWEZNQCLSA-N -1 1 399.411 1.555 20 0 GDADMM O=C(Nc1cccc(F)c1)[C@@H]1CSCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738185408 599004840 /nfs/dbraw/zinc/00/48/40/599004840.db2.gz XDTKYRFNFONQNT-AWEZNQCLSA-N -1 1 399.411 1.555 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000736293763 599005877 /nfs/dbraw/zinc/00/58/77/599005877.db2.gz VCXRKABANJFZHL-RYUDHWBXSA-N -1 1 387.444 1.732 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000736293763 599005879 /nfs/dbraw/zinc/00/58/79/599005879.db2.gz VCXRKABANJFZHL-RYUDHWBXSA-N -1 1 387.444 1.732 20 0 GDADMM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)ccc1N1C(=O)CCC1=O ZINC000737275168 599006397 /nfs/dbraw/zinc/00/63/97/599006397.db2.gz RSPSPANLMWPMDE-UHFFFAOYSA-N -1 1 377.364 1.476 20 0 GDADMM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)ccc1N1C(=O)CCC1=O ZINC000737275168 599006400 /nfs/dbraw/zinc/00/64/00/599006400.db2.gz RSPSPANLMWPMDE-UHFFFAOYSA-N -1 1 377.364 1.476 20 0 GDADMM CCCN([C@@H]1C[C@@H](OCC)C1(C)C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736470439 599009301 /nfs/dbraw/zinc/00/93/01/599009301.db2.gz FZKSJPOTXNEYDZ-HUUCEWRRSA-N -1 1 394.501 1.866 20 0 GDADMM CCCN([C@@H]1C[C@@H](OCC)C1(C)C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736470439 599009303 /nfs/dbraw/zinc/00/93/03/599009303.db2.gz FZKSJPOTXNEYDZ-HUUCEWRRSA-N -1 1 394.501 1.866 20 0 GDADMM C[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000737172312 599018601 /nfs/dbraw/zinc/01/86/01/599018601.db2.gz JDWJOCRPZXCGIV-XMMPIXPASA-N -1 1 377.451 1.546 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCCOC[C@H]1CCCO1 ZINC000737548928 599035940 /nfs/dbraw/zinc/03/59/40/599035940.db2.gz QVZYKEPRXNCSOY-CYBMUJFWSA-N -1 1 386.412 1.484 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCOC[C@H]1CCCO1 ZINC000737548928 599035943 /nfs/dbraw/zinc/03/59/43/599035943.db2.gz QVZYKEPRXNCSOY-CYBMUJFWSA-N -1 1 386.412 1.484 20 0 GDADMM CN1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c2ccc(F)cc21 ZINC000736855218 599050477 /nfs/dbraw/zinc/05/04/77/599050477.db2.gz AWAFVXHPQDNXDN-UHFFFAOYSA-N -1 1 389.416 1.436 20 0 GDADMM CN1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c2ccc(F)cc21 ZINC000736855218 599050481 /nfs/dbraw/zinc/05/04/81/599050481.db2.gz AWAFVXHPQDNXDN-UHFFFAOYSA-N -1 1 389.416 1.436 20 0 GDADMM COc1ccc(OC)c(NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737109818 599131705 /nfs/dbraw/zinc/13/17/05/599131705.db2.gz NSPZTNIRSFTBAZ-UHFFFAOYSA-N -1 1 384.352 1.074 20 0 GDADMM COc1ccc(OC)c(NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737109818 599131706 /nfs/dbraw/zinc/13/17/06/599131706.db2.gz NSPZTNIRSFTBAZ-UHFFFAOYSA-N -1 1 384.352 1.074 20 0 GDADMM CC(C)OC(=O)Cc1nc(COC(=O)c2ccc(-c3nnn[n-]3)nc2)cs1 ZINC000735895278 599132093 /nfs/dbraw/zinc/13/20/93/599132093.db2.gz SJJJCVAPSOMBNK-UHFFFAOYSA-N -1 1 388.409 1.569 20 0 GDADMM CC(C)OC(=O)Cc1nc(COC(=O)c2ccc(-c3nn[n-]n3)nc2)cs1 ZINC000735895278 599132094 /nfs/dbraw/zinc/13/20/94/599132094.db2.gz SJJJCVAPSOMBNK-UHFFFAOYSA-N -1 1 388.409 1.569 20 0 GDADMM COC(=O)c1ccc(C)c(NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736950517 599136571 /nfs/dbraw/zinc/13/65/71/599136571.db2.gz IIMNPNTXJXHZKK-UHFFFAOYSA-N -1 1 396.363 1.152 20 0 GDADMM COC(=O)c1ccc(C)c(NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736950517 599136574 /nfs/dbraw/zinc/13/65/74/599136574.db2.gz IIMNPNTXJXHZKK-UHFFFAOYSA-N -1 1 396.363 1.152 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)N(Cc1ccccc1)C1CC1 ZINC000738221507 599139650 /nfs/dbraw/zinc/13/96/50/599139650.db2.gz XEUNUIJTRZVPSM-UHFFFAOYSA-N -1 1 378.392 1.610 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)N(Cc1ccccc1)C1CC1 ZINC000738221507 599139652 /nfs/dbraw/zinc/13/96/52/599139652.db2.gz XEUNUIJTRZVPSM-UHFFFAOYSA-N -1 1 378.392 1.610 20 0 GDADMM CCc1ccc(CN(C)C(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736693078 599140713 /nfs/dbraw/zinc/14/07/13/599140713.db2.gz WMDVCQRVVGQUQZ-UHFFFAOYSA-N -1 1 380.408 1.640 20 0 GDADMM CCc1ccc(CN(C)C(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736693078 599140715 /nfs/dbraw/zinc/14/07/15/599140715.db2.gz WMDVCQRVVGQUQZ-UHFFFAOYSA-N -1 1 380.408 1.640 20 0 GDADMM CN(CCCOc1ccccc1)C(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736797707 599142376 /nfs/dbraw/zinc/14/23/76/599142376.db2.gz KBHSMMRETTYBIK-UHFFFAOYSA-N -1 1 396.407 1.346 20 0 GDADMM CN(CCCOc1ccccc1)C(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736797707 599142377 /nfs/dbraw/zinc/14/23/77/599142377.db2.gz KBHSMMRETTYBIK-UHFFFAOYSA-N -1 1 396.407 1.346 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000737200490 599164964 /nfs/dbraw/zinc/16/49/64/599164964.db2.gz NCSRAEJCRPYLGB-CYBMUJFWSA-N -1 1 396.455 1.266 20 0 GDADMM Cc1c(C[S@@](C)=O)cccc1[N-]S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000737216707 599197382 /nfs/dbraw/zinc/19/73/82/599197382.db2.gz WYLMEXQZSKTITR-RUZDIDTESA-N -1 1 391.478 1.854 20 0 GDADMM O=C(Nc1n[nH]cc1-c1ccc2c(c1)OCO2)c1ccc(-c2nnn[n-]2)nc1 ZINC000823290061 599217675 /nfs/dbraw/zinc/21/76/75/599217675.db2.gz TUPQMMCRLIKBJR-UHFFFAOYSA-N -1 1 376.336 1.633 20 0 GDADMM O=C(Nc1n[nH]cc1-c1ccc2c(c1)OCO2)c1ccc(-c2nn[n-]n2)nc1 ZINC000823290061 599217677 /nfs/dbraw/zinc/21/76/77/599217677.db2.gz TUPQMMCRLIKBJR-UHFFFAOYSA-N -1 1 376.336 1.633 20 0 GDADMM CC(C)C[C@@H](NC(=O)C(=O)Nc1ccccc1CN1CCSCC1)C(=O)[O-] ZINC000817878211 597035610 /nfs/dbraw/zinc/03/56/10/597035610.db2.gz AVDUDPIRGFYTKO-MRXNPFEDSA-N -1 1 393.509 1.789 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@H](O)CC(C)(C)C ZINC000737200894 599240131 /nfs/dbraw/zinc/24/01/31/599240131.db2.gz OAJXMPIWTYZCLI-GFCCVEGCSA-N -1 1 376.461 1.430 20 0 GDADMM O=C([C@@H]1CCCO1)N1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000737792427 599256486 /nfs/dbraw/zinc/25/64/86/599256486.db2.gz QCMRXYANNIIYBK-KRWDZBQOSA-N -1 1 379.424 1.243 20 0 GDADMM O=C([C@@H]1CCCO1)N1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000737792427 599256488 /nfs/dbraw/zinc/25/64/88/599256488.db2.gz QCMRXYANNIIYBK-KRWDZBQOSA-N -1 1 379.424 1.243 20 0 GDADMM CN1CC[C@@H](NC(=O)C(=O)Nc2ccccc2CC(=O)[O-])[C@@H]1c1ccccc1 ZINC000820620187 597420969 /nfs/dbraw/zinc/42/09/69/597420969.db2.gz IQUDXPGEMSFLAT-MJGOQNOKSA-N -1 1 381.432 1.814 20 0 GDADMM O=C(c1ccccn1)N1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000738286537 599268523 /nfs/dbraw/zinc/26/85/23/599268523.db2.gz QFFSYRZDILGPKI-UHFFFAOYSA-N -1 1 386.419 1.772 20 0 GDADMM O=C(c1ccccn1)N1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000738286537 599268525 /nfs/dbraw/zinc/26/85/25/599268525.db2.gz QFFSYRZDILGPKI-UHFFFAOYSA-N -1 1 386.419 1.772 20 0 GDADMM O=C(CSc1cnccn1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000737954310 599285402 /nfs/dbraw/zinc/28/54/02/599285402.db2.gz XVTQKBHUQKNJPR-UHFFFAOYSA-N -1 1 379.409 1.573 20 0 GDADMM O=C(CSc1cnccn1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737954310 599285404 /nfs/dbraw/zinc/28/54/04/599285404.db2.gz XVTQKBHUQKNJPR-UHFFFAOYSA-N -1 1 379.409 1.573 20 0 GDADMM CN(Cc1ccc(OC(F)F)cc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736819888 598260537 /nfs/dbraw/zinc/26/05/37/598260537.db2.gz RCGSYPDURXDNLA-UHFFFAOYSA-N -1 1 396.379 1.684 20 0 GDADMM CN(Cc1ccc(OC(F)F)cc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736819888 598260539 /nfs/dbraw/zinc/26/05/39/598260539.db2.gz RCGSYPDURXDNLA-UHFFFAOYSA-N -1 1 396.379 1.684 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@H](O)Cc1ccccc1 ZINC000737548360 598261274 /nfs/dbraw/zinc/26/12/74/598261274.db2.gz OXSONASGJNZCFJ-OAHLLOKOSA-N -1 1 392.419 1.892 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@H](O)Cc1ccccc1 ZINC000737548360 598261277 /nfs/dbraw/zinc/26/12/77/598261277.db2.gz OXSONASGJNZCFJ-OAHLLOKOSA-N -1 1 392.419 1.892 20 0 GDADMM COc1ccc(Cl)cc1CN(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737100068 598262233 /nfs/dbraw/zinc/26/22/33/598262233.db2.gz RGWXCYWPJWQXGD-UHFFFAOYSA-N -1 1 394.844 1.744 20 0 GDADMM COc1ccc(Cl)cc1CN(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737100068 598262235 /nfs/dbraw/zinc/26/22/35/598262235.db2.gz RGWXCYWPJWQXGD-UHFFFAOYSA-N -1 1 394.844 1.744 20 0 GDADMM COc1ccc([C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C2CC2)cc1 ZINC000737073958 598262245 /nfs/dbraw/zinc/26/22/45/598262245.db2.gz GRTLCXRIBRKMSI-INIZCTEOSA-N -1 1 386.437 1.700 20 0 GDADMM COc1ccc([C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C2CC2)cc1 ZINC000737073958 598262247 /nfs/dbraw/zinc/26/22/47/598262247.db2.gz GRTLCXRIBRKMSI-INIZCTEOSA-N -1 1 386.437 1.700 20 0 GDADMM COc1ccc2ccccc2c1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737120949 598264122 /nfs/dbraw/zinc/26/41/22/598264122.db2.gz VEUDLONQXCHITR-UHFFFAOYSA-N -1 1 396.432 1.902 20 0 GDADMM COc1ccc2ccccc2c1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737120949 598264123 /nfs/dbraw/zinc/26/41/23/598264123.db2.gz VEUDLONQXCHITR-UHFFFAOYSA-N -1 1 396.432 1.902 20 0 GDADMM CN(CC(=O)Nc1ccccc1Br)c1nccnc1-c1nnn[n-]1 ZINC000736788849 598337050 /nfs/dbraw/zinc/33/70/50/598337050.db2.gz YBUAHNJDKRQAMZ-UHFFFAOYSA-N -1 1 389.217 1.494 20 0 GDADMM CN(CC(=O)Nc1ccccc1Br)c1nccnc1-c1nn[n-]n1 ZINC000736788849 598337051 /nfs/dbraw/zinc/33/70/51/598337051.db2.gz YBUAHNJDKRQAMZ-UHFFFAOYSA-N -1 1 389.217 1.494 20 0 GDADMM O=C(c1cccc2ccccc21)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000738278838 598340944 /nfs/dbraw/zinc/34/09/44/598340944.db2.gz OOBMVKDQAWEUCF-UHFFFAOYSA-N -1 1 386.419 1.772 20 0 GDADMM O=C(c1cccc2ccccc21)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000738278838 598340946 /nfs/dbraw/zinc/34/09/46/598340946.db2.gz OOBMVKDQAWEUCF-UHFFFAOYSA-N -1 1 386.419 1.772 20 0 GDADMM COc1ccccc1NC(=O)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000737152463 598342473 /nfs/dbraw/zinc/34/24/73/598342473.db2.gz ORTIBFXRJRLJDQ-UHFFFAOYSA-N -1 1 380.412 1.520 20 0 GDADMM COc1ccccc1NC(=O)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000737152463 598342475 /nfs/dbraw/zinc/34/24/75/598342475.db2.gz ORTIBFXRJRLJDQ-UHFFFAOYSA-N -1 1 380.412 1.520 20 0 GDADMM O=C(Cc1ccc(Cl)cc1)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000737955695 598345698 /nfs/dbraw/zinc/34/56/98/598345698.db2.gz LBHISTJMCJETJK-UHFFFAOYSA-N -1 1 384.831 1.201 20 0 GDADMM O=C(Cc1ccc(Cl)cc1)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000737955695 598345699 /nfs/dbraw/zinc/34/56/99/598345699.db2.gz LBHISTJMCJETJK-UHFFFAOYSA-N -1 1 384.831 1.201 20 0 GDADMM COc1ccc(OC)c([C@@H](C)NC(=O)Cn2ccc(C)c(-c3nn[n-]n3)c2=O)c1 ZINC000821839660 607349077 /nfs/dbraw/zinc/34/90/77/607349077.db2.gz WVKIWVYBVRWESP-GFCCVEGCSA-N -1 1 398.423 1.231 20 0 GDADMM CCc1nn(C[C@@H](O)COc2cc(C)cc(C)c2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705643 598373924 /nfs/dbraw/zinc/37/39/24/598373924.db2.gz MMXILGKBIQFDHA-CQSZACIVSA-N -1 1 398.467 1.605 20 0 GDADMM Cc1nn(C)c(C)c1[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737509720 598376000 /nfs/dbraw/zinc/37/60/00/598376000.db2.gz IOYWHRKFLAWHDB-AWEZNQCLSA-N -1 1 388.457 1.138 20 0 GDADMM Cc1nn(C)c(C)c1[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737509720 598376002 /nfs/dbraw/zinc/37/60/02/598376002.db2.gz IOYWHRKFLAWHDB-AWEZNQCLSA-N -1 1 388.457 1.138 20 0 GDADMM CCc1nn(Cc2ccc(-n3cccn3)cc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736707751 598378562 /nfs/dbraw/zinc/37/85/62/598378562.db2.gz SPFJYWYPWJMWFM-UHFFFAOYSA-N -1 1 376.424 1.782 20 0 GDADMM COc1cc(OC)cc([C@@H](Nc2cnc(-c3nnn[n-]3)cn2)c2nccn2C)c1 ZINC000737051405 598385309 /nfs/dbraw/zinc/38/53/09/598385309.db2.gz JTFVDSKYDAESBM-MRXNPFEDSA-N -1 1 393.411 1.609 20 0 GDADMM COc1cc(OC)cc([C@@H](Nc2cnc(-c3nn[n-]n3)cn2)c2nccn2C)c1 ZINC000737051405 598385310 /nfs/dbraw/zinc/38/53/10/598385310.db2.gz JTFVDSKYDAESBM-MRXNPFEDSA-N -1 1 393.411 1.609 20 0 GDADMM CNC(=O)CCNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736873345 598401696 /nfs/dbraw/zinc/40/16/96/598401696.db2.gz IRUJPJWNTLRDHX-UHFFFAOYSA-N -1 1 384.371 1.664 20 0 GDADMM CNC(=O)CCNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736873345 598401698 /nfs/dbraw/zinc/40/16/98/598401698.db2.gz IRUJPJWNTLRDHX-UHFFFAOYSA-N -1 1 384.371 1.664 20 0 GDADMM CCN(C)c1ccccc1CNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736511014 598406197 /nfs/dbraw/zinc/40/61/97/598406197.db2.gz BOYZVOCSGRBOEA-UHFFFAOYSA-N -1 1 390.444 1.940 20 0 GDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000737770613 598409565 /nfs/dbraw/zinc/40/95/65/598409565.db2.gz MFXDDGOAQGMAFS-UHFFFAOYSA-N -1 1 390.194 1.826 20 0 GDADMM Cc1noc(C)c1CCNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000737536547 598423165 /nfs/dbraw/zinc/42/31/65/598423165.db2.gz JNFVAPOWFABUIC-UHFFFAOYSA-N -1 1 385.428 1.480 20 0 GDADMM CC(C)(C)OC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000735622995 598463275 /nfs/dbraw/zinc/46/32/75/598463275.db2.gz DDVNFHOFRYJBTQ-UHFFFAOYSA-N -1 1 394.457 1.004 20 0 GDADMM CC(C)(C)OC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000735622995 598463277 /nfs/dbraw/zinc/46/32/77/598463277.db2.gz DDVNFHOFRYJBTQ-UHFFFAOYSA-N -1 1 394.457 1.004 20 0 GDADMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000738265208 598473600 /nfs/dbraw/zinc/47/36/00/598473600.db2.gz CDYTVEAYYDPHRY-UHFFFAOYSA-N -1 1 378.392 1.702 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@@H](O)C1CCCCC1 ZINC000737199373 598530327 /nfs/dbraw/zinc/53/03/27/598530327.db2.gz GSJFYBNPDOAXGE-OAHLLOKOSA-N -1 1 388.472 1.574 20 0 GDADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[nH]n3)c2)c1C ZINC000736957372 598534270 /nfs/dbraw/zinc/53/42/70/598534270.db2.gz NKXNJHWHVPVEKK-UHFFFAOYSA-N -1 1 391.384 1.902 20 0 GDADMM Cc1cc(C)n(C[C@H]2CN(c3snc(Cl)c3-c3nnn[n-]3)CCO2)n1 ZINC000737258012 598545006 /nfs/dbraw/zinc/54/50/06/598545006.db2.gz XFTKZKFDRLAHNH-SNVBAGLBSA-N -1 1 380.865 1.695 20 0 GDADMM Cc1cc(C)n(C[C@H]2CN(c3snc(Cl)c3-c3nn[n-]n3)CCO2)n1 ZINC000737258012 598545007 /nfs/dbraw/zinc/54/50/07/598545007.db2.gz XFTKZKFDRLAHNH-SNVBAGLBSA-N -1 1 380.865 1.695 20 0 GDADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccccc2-c2nn[nH]n2)o1 ZINC000735623351 598573413 /nfs/dbraw/zinc/57/34/13/598573413.db2.gz MMQHUQVRJDTMEQ-UHFFFAOYSA-N -1 1 390.425 1.789 20 0 GDADMM CS(=O)(=O)Nc1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000737169413 598575190 /nfs/dbraw/zinc/57/51/90/598575190.db2.gz WRVYVPUCDYKAAV-UHFFFAOYSA-N -1 1 379.833 1.899 20 0 GDADMM CS(=O)(=O)Nc1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000737169413 598575191 /nfs/dbraw/zinc/57/51/91/598575191.db2.gz WRVYVPUCDYKAAV-UHFFFAOYSA-N -1 1 379.833 1.899 20 0 GDADMM CCc1ccc(NC(=O)Cn2nc(CC)c(CC)c(-c3nn[n-]n3)c2=O)cc1 ZINC000736689219 598641454 /nfs/dbraw/zinc/64/14/54/598641454.db2.gz FEIXNNHFVNJPEL-UHFFFAOYSA-N -1 1 381.440 1.749 20 0 GDADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nn[nH]n3)cn2)o1 ZINC000735623377 598661242 /nfs/dbraw/zinc/66/12/42/598661242.db2.gz MXLKCEWZBLUJSX-UHFFFAOYSA-N -1 1 391.413 1.184 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCN(c2ccccc2)CC1 ZINC000738355308 598685626 /nfs/dbraw/zinc/68/56/26/598685626.db2.gz OESAEEXPRISRFS-UHFFFAOYSA-N -1 1 388.428 1.517 20 0 GDADMM COCCN(Cc1cccs1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737009247 598688344 /nfs/dbraw/zinc/68/83/44/598688344.db2.gz YHYJQAYLIVANGW-UHFFFAOYSA-N -1 1 397.457 1.905 20 0 GDADMM C=CC(=O)NCCNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000735402839 598690857 /nfs/dbraw/zinc/69/08/57/598690857.db2.gz LEJCFNQEGDGKKU-UHFFFAOYSA-N -1 1 396.382 1.830 20 0 GDADMM C=CC(=O)NCCNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000735402839 598690859 /nfs/dbraw/zinc/69/08/59/598690859.db2.gz LEJCFNQEGDGKKU-UHFFFAOYSA-N -1 1 396.382 1.830 20 0 GDADMM CN1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)Cc2ccccc21 ZINC000736867717 598694972 /nfs/dbraw/zinc/69/49/72/598694972.db2.gz MTYYENHESAIJQE-UHFFFAOYSA-N -1 1 388.428 1.647 20 0 GDADMM CCN(CC)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736522545 598709416 /nfs/dbraw/zinc/70/94/16/598709416.db2.gz LUETUHWKSCKZIZ-CQSZACIVSA-N -1 1 396.448 1.027 20 0 GDADMM COc1cccc(CNC(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)c1 ZINC000737131316 598721474 /nfs/dbraw/zinc/72/14/74/598721474.db2.gz NZXSYWFTDDVTLJ-UHFFFAOYSA-N -1 1 390.403 1.507 20 0 GDADMM Cc1oc(NC(=O)COC(=O)CNC(=O)CCC(C)C)c(-c2nn[n-]n2)c1C ZINC000737552844 598724880 /nfs/dbraw/zinc/72/48/80/598724880.db2.gz ROESIVGWOAIJOO-UHFFFAOYSA-N -1 1 392.416 1.111 20 0 GDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000563733831 598806647 /nfs/dbraw/zinc/80/66/47/598806647.db2.gz XOZMHYSVCUDOQC-UHFFFAOYSA-N -1 1 378.396 1.091 20 0 GDADMM O=C(C1=CCCCO1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000737780743 599319346 /nfs/dbraw/zinc/31/93/46/599319346.db2.gz FFLOUGPQCLSEFX-UHFFFAOYSA-N -1 1 397.395 1.458 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCC(OCC2CC2)CC1 ZINC000823600290 599328056 /nfs/dbraw/zinc/32/80/56/599328056.db2.gz FMBQJVCGNGXKJE-UHFFFAOYSA-N -1 1 381.433 1.586 20 0 GDADMM COc1ccc(CN(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1F ZINC000821795419 599335565 /nfs/dbraw/zinc/33/55/65/599335565.db2.gz ZPMSGWAVIROKKR-UHFFFAOYSA-N -1 1 395.391 1.974 20 0 GDADMM COc1ccc(CN(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1F ZINC000821795419 599335568 /nfs/dbraw/zinc/33/55/68/599335568.db2.gz ZPMSGWAVIROKKR-UHFFFAOYSA-N -1 1 395.391 1.974 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000823601184 599338723 /nfs/dbraw/zinc/33/87/23/599338723.db2.gz VFKQHJWFQJWTJT-STQMWFEESA-N -1 1 383.861 1.852 20 0 GDADMM COC(=O)[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)CC(C)C ZINC000821640323 599446050 /nfs/dbraw/zinc/44/60/50/599446050.db2.gz GDUGMYCCYHHUHY-VIFPVBQESA-N -1 1 394.457 1.254 20 0 GDADMM CCOC(=O)C1C(c2cccnc2)=NC(=S)N[C@@H]1c1ccc(-c2nnn[n-]2)o1 ZINC000821321508 599493004 /nfs/dbraw/zinc/49/30/04/599493004.db2.gz YTGIIWNUPWRAAC-CQSZACIVSA-N -1 1 397.420 1.348 20 0 GDADMM CCOC(=O)C1C(c2cccnc2)=NC(=S)N[C@@H]1c1ccc(-c2nn[n-]n2)o1 ZINC000821321508 599493005 /nfs/dbraw/zinc/49/30/05/599493005.db2.gz YTGIIWNUPWRAAC-CQSZACIVSA-N -1 1 397.420 1.348 20 0 GDADMM COCCN1C(=O)N[C@H](c2ccc(-c3nnn[n-]3)o2)C(C(=O)OC(C)C)=C1C ZINC000821690502 599493236 /nfs/dbraw/zinc/49/32/36/599493236.db2.gz OBFYTSSIUDRLBK-CQSZACIVSA-N -1 1 390.400 1.398 20 0 GDADMM COCCN1C(=O)N[C@H](c2ccc(-c3nn[n-]n3)o2)C(C(=O)OC(C)C)=C1C ZINC000821690502 599493239 /nfs/dbraw/zinc/49/32/39/599493239.db2.gz OBFYTSSIUDRLBK-CQSZACIVSA-N -1 1 390.400 1.398 20 0 GDADMM CCOc1ccnc(N2CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)n1 ZINC000821437655 599536525 /nfs/dbraw/zinc/53/65/25/599536525.db2.gz QNMDCXUNCCRQIY-UHFFFAOYSA-N -1 1 387.835 1.430 20 0 GDADMM CCOc1ccnc(N2CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)n1 ZINC000821437655 599536528 /nfs/dbraw/zinc/53/65/28/599536528.db2.gz QNMDCXUNCCRQIY-UHFFFAOYSA-N -1 1 387.835 1.430 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CCC(OCC3CC3)CC2)cc1-c1nn[n-]n1 ZINC000821970750 599555953 /nfs/dbraw/zinc/55/59/53/599555953.db2.gz RPCOUWMCKWVVDS-UHFFFAOYSA-N -1 1 390.469 1.720 20 0 GDADMM O=S(=O)(c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)N1CCCOCC1 ZINC000738353876 599594652 /nfs/dbraw/zinc/59/46/52/599594652.db2.gz HVTQCPGGGVLUBY-UHFFFAOYSA-N -1 1 377.348 1.297 20 0 GDADMM COc1cccc(OCCCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737142767 599596163 /nfs/dbraw/zinc/59/61/63/599596163.db2.gz ZKBFDPADAGGMRG-UHFFFAOYSA-N -1 1 390.425 1.018 20 0 GDADMM COc1cccc(OCCCNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737142767 599596164 /nfs/dbraw/zinc/59/61/64/599596164.db2.gz ZKBFDPADAGGMRG-UHFFFAOYSA-N -1 1 390.425 1.018 20 0 GDADMM O=S(=O)(N[C@H]1CCC[C@H]1Cc1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738342231 599596286 /nfs/dbraw/zinc/59/62/86/599596286.db2.gz ICHHJDVQFNDFBQ-HOCLYGCPSA-N -1 1 384.465 1.951 20 0 GDADMM O=S(=O)(N[C@H]1CCC[C@H]1Cc1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738342231 599596289 /nfs/dbraw/zinc/59/62/89/599596289.db2.gz ICHHJDVQFNDFBQ-HOCLYGCPSA-N -1 1 384.465 1.951 20 0 GDADMM COC(=O)[C@H]1C[C@H](C2CCCCC2)CN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821653515 599651875 /nfs/dbraw/zinc/65/18/75/599651875.db2.gz CTNIYAVVWQLEBD-GOEBONIOSA-N -1 1 384.440 1.846 20 0 GDADMM COC(=O)[C@H]1C[C@H](C2CCCCC2)CN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821653515 599651876 /nfs/dbraw/zinc/65/18/76/599651876.db2.gz CTNIYAVVWQLEBD-GOEBONIOSA-N -1 1 384.440 1.846 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OCCOCC1CC1 ZINC000822457924 599654695 /nfs/dbraw/zinc/65/46/95/599654695.db2.gz AVTIDYBPTVJGKX-UHFFFAOYSA-N -1 1 385.428 1.429 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OCCOCC1CC1 ZINC000822457924 599654696 /nfs/dbraw/zinc/65/46/96/599654696.db2.gz AVTIDYBPTVJGKX-UHFFFAOYSA-N -1 1 385.428 1.429 20 0 GDADMM Cc1ccc(-c2nn[nH]n2)cc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000822220544 599698619 /nfs/dbraw/zinc/69/86/19/599698619.db2.gz WCYSFOLNEDBTLO-UHFFFAOYSA-N -1 1 378.352 1.485 20 0 GDADMM CCCC[C@H](C(=O)[O-])N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 ZINC000577226536 599705668 /nfs/dbraw/zinc/70/56/68/599705668.db2.gz LQLDOGBWXJQBKB-MRXNPFEDSA-N -1 1 375.535 1.757 20 0 GDADMM Cn1ccnc1[C@H](O)C1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000822699232 607388040 /nfs/dbraw/zinc/38/80/40/607388040.db2.gz SMOQEYYCVGQYIP-SNVBAGLBSA-N -1 1 380.865 1.660 20 0 GDADMM Cn1ccnc1[C@H](O)C1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000822699232 607388042 /nfs/dbraw/zinc/38/80/42/607388042.db2.gz SMOQEYYCVGQYIP-SNVBAGLBSA-N -1 1 380.865 1.660 20 0 GDADMM CC(C)[C@@H](C)NC(=O)C1CCN([C@@H](C)C(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000736353218 599713662 /nfs/dbraw/zinc/71/36/62/599713662.db2.gz IFZRJHMVLFYWMR-CABCVRRESA-N -1 1 381.517 1.571 20 0 GDADMM C[C@H]1CN(CCCNC(=O)C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)C[C@H](C)O1 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UDQGDKYGMOJKDW-CYBMUJFWSA-N -1 1 390.465 1.674 20 0 GDADMM Cc1onc2c1c(C(=O)[O-])nn(CN1CCN(Cc3ccccc3)CC1)c2=O ZINC000738987095 600031833 /nfs/dbraw/zinc/03/18/33/600031833.db2.gz NNQCHWYPIMRKJX-UHFFFAOYSA-N -1 1 383.408 1.166 20 0 GDADMM COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCC(C(=O)[O-])CC1 ZINC000737581188 600033948 /nfs/dbraw/zinc/03/39/48/600033948.db2.gz XBLOZHORAHBKMQ-QGZVFWFLSA-N -1 1 387.436 1.165 20 0 GDADMM Cc1cc(NC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)nn1C ZINC000826328195 607415072 /nfs/dbraw/zinc/41/50/72/607415072.db2.gz IPWBVKRRDMJOGD-UHFFFAOYSA-N -1 1 380.416 1.139 20 0 GDADMM Cc1cc(NC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)nn1C ZINC000826328195 607415074 /nfs/dbraw/zinc/41/50/74/607415074.db2.gz IPWBVKRRDMJOGD-UHFFFAOYSA-N -1 1 380.416 1.139 20 0 GDADMM Cc1cc(NC(=O)C(=O)NC2CCN(Cc3ccccn3)CC2)ccc1C(=O)[O-] ZINC000738411994 600046921 /nfs/dbraw/zinc/04/69/21/600046921.db2.gz YXJOYHGTSLXTRW-UHFFFAOYSA-N -1 1 396.447 1.808 20 0 GDADMM CCn1nccc1NS(=O)(=O)c1cc(/C=C\C(=O)[O-])cc(OC)c1OC ZINC000737312936 600054458 /nfs/dbraw/zinc/05/44/58/600054458.db2.gz VZOXNAWYARKFBL-WAYWQWQTSA-N -1 1 381.410 1.819 20 0 GDADMM CCn1nccc1NS(=O)(=O)c1cc(/C=C/C(=O)[O-])cc(OC)c1OC ZINC000737312935 600054530 /nfs/dbraw/zinc/05/45/30/600054530.db2.gz VZOXNAWYARKFBL-AATRIKPKSA-N -1 1 381.410 1.819 20 0 GDADMM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N[C@H](C)CN1CCN(C)CC1 ZINC000736587519 600113644 /nfs/dbraw/zinc/11/36/44/600113644.db2.gz YAFCKOITQXVQLZ-CQSZACIVSA-N -1 1 378.473 1.929 20 0 GDADMM CCN1CCC[C@@H](NC(=O)C(=O)Nc2cccc(CSCCC(=O)[O-])c2)C1 ZINC000737114006 600126978 /nfs/dbraw/zinc/12/69/78/600126978.db2.gz FNLQYCNQQYMQKO-MRXNPFEDSA-N -1 1 393.509 1.934 20 0 GDADMM CCOC(=O)C1=C(CN[C@](CC)(C(=O)[O-])c2ccccc2)NC(=O)N[C@@H]1C ZINC000737135357 600130623 /nfs/dbraw/zinc/13/06/23/600130623.db2.gz WZUBVEPLXOJVIQ-BLVKFPJESA-N -1 1 375.425 1.485 20 0 GDADMM CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)N1CCC[C@@H](C(=O)[O-])C1 ZINC000737275526 600133515 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GDADMM CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c(O)c1 ZINC000610123862 600244297 /nfs/dbraw/zinc/24/42/97/600244297.db2.gz FFVBROSIMWQORG-UHFFFAOYSA-N -1 1 395.389 1.833 20 0 GDADMM COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000737688268 600258792 /nfs/dbraw/zinc/25/87/92/600258792.db2.gz LGVXAYUUYJKVNK-UHFFFAOYSA-N -1 1 390.373 1.467 20 0 GDADMM COCCN1CC[C@H](NC(=O)N2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)C1 ZINC000737810809 600268108 /nfs/dbraw/zinc/26/81/08/600268108.db2.gz VLSRFTRVQMWRNN-WBVHZDCISA-N -1 1 390.484 1.326 20 0 GDADMM O=C([O-])[C@H]1CC12CCN(CC(=O)N1CCO[C@H](c3ccc(F)cc3)C1)CC2 ZINC000739531186 600288366 /nfs/dbraw/zinc/28/83/66/600288366.db2.gz FGJUMQFVXZQDDX-SJORKVTESA-N -1 1 376.428 1.912 20 0 GDADMM O=C([O-])CCc1nnc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)s1 ZINC000739777878 600291275 /nfs/dbraw/zinc/29/12/75/600291275.db2.gz SBUUNHBDYUHBIQ-CYBMUJFWSA-N -1 1 375.454 1.951 20 0 GDADMM O=C([O-])[C@H]1CC12CCN(CC(=O)N1CCN(c3ccc(F)cc3)CC1)CC2 ZINC000739531916 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COc1ccc(S(=O)(=O)Nc2cc(-c3ccncc3)nn2C)cc1C(=O)[O-] ZINC000738064227 600672915 /nfs/dbraw/zinc/67/29/15/600672915.db2.gz XKIUWPJZNGCENC-UHFFFAOYSA-N -1 1 388.405 1.990 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C(=O)OC)c2)c[nH]1 ZINC000831348398 600688269 /nfs/dbraw/zinc/68/82/69/600688269.db2.gz JDPYDRSKWPEOOQ-UHFFFAOYSA-N -1 1 382.350 1.087 20 0 GDADMM COC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)OC3)cc1C(=O)[O-] ZINC000831434895 600688412 /nfs/dbraw/zinc/68/84/12/600688412.db2.gz JIMIFVASQUNVCQ-UHFFFAOYSA-N -1 1 391.357 1.643 20 0 GDADMM Cc1ccccc1CN1CCCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC000832979815 600708157 /nfs/dbraw/zinc/70/81/57/600708157.db2.gz SJAQPHUSXHAKSM-UHFFFAOYSA-N -1 1 377.466 1.918 20 0 GDADMM O=C([O-])Nc1ccc(C(=O)OCC2=Nc3ccccc3S(=O)(=O)N2)cc1O ZINC000833284477 600733022 /nfs/dbraw/zinc/73/30/22/600733022.db2.gz WPUQROVVJCXACZ-UHFFFAOYSA-N -1 1 391.361 1.661 20 0 GDADMM COC1CCN(C(C)(C)CNS(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)CC1 ZINC000831536706 600742536 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O=C(CN1CCCC[C@H]1[C@@H]1CCCN1C(=O)[O-])NCCCN1CCCC1=O ZINC000740370553 602527629 /nfs/dbraw/zinc/52/76/29/602527629.db2.gz ZWMVBNNCYBWGAA-HOTGVXAUSA-N -1 1 380.489 1.112 20 0 GDADMM CC(C)N(C)C(=O)C1CCN(C(=O)CN2CC[C@H](CN(C)C(=O)[O-])C2)CC1 ZINC000738833418 602528748 /nfs/dbraw/zinc/52/87/48/602528748.db2.gz GGXHOMBONSVZMP-OAHLLOKOSA-N -1 1 382.505 1.024 20 0 GDADMM CN(C(=O)[O-])C1CCN(C(=O)NCc2ccc(N3CCN(C)CC3)nc2)CC1 ZINC000738022225 602541848 /nfs/dbraw/zinc/54/18/48/602541848.db2.gz OQLRVBWEEIMKHR-UHFFFAOYSA-N -1 1 390.488 1.117 20 0 GDADMM CN(C(=O)[O-])C1CCN(C(=O)NC2CCN(Cc3ccccn3)CC2)CC1 ZINC000737931515 602541988 /nfs/dbraw/zinc/54/19/88/602541988.db2.gz WGBUQKONNWYHPR-UHFFFAOYSA-N -1 1 375.473 1.830 20 0 GDADMM Cc1c(C(=O)N(C)[C@@H]2CN3CCC2CC3)nnn1C1CCN(C(=O)[O-])CC1 ZINC000740031193 602545456 /nfs/dbraw/zinc/54/54/56/602545456.db2.gz HAKZDKMUKLBXRI-OAHLLOKOSA-N -1 1 376.461 1.068 20 0 GDADMM CCCN(CC(=O)N1CCN(Cc2cccs2)CC1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739347177 602578097 /nfs/dbraw/zinc/57/80/97/602578097.db2.gz DEJNOMBBFAAOGE-INIZCTEOSA-N -1 1 394.541 1.857 20 0 GDADMM COc1ccnc(N2CCN(C(=O)N[C@@H](C)[C@H]3CCCN(C(=O)[O-])C3)CC2)c1 ZINC000739986590 602628902 /nfs/dbraw/zinc/62/89/02/602628902.db2.gz WOFXWFGPDKSTGQ-GJZGRUSLSA-N -1 1 391.472 1.700 20 0 GDADMM Cn1c(=O)c2ccc(C(=O)NCC[C@H]3CCCN(C(=O)[O-])C3)cc2[nH]c1=S ZINC000740282310 602644602 /nfs/dbraw/zinc/64/46/02/602644602.db2.gz CYTSNHGRAMKVGH-LLVKDONJSA-N -1 1 390.465 1.732 20 0 GDADMM CN1CCC[C@@H](NC(=O)C(=O)Nc2ccc(NC(=O)[O-])cc2C(F)(F)F)C1 ZINC000739728562 602660771 /nfs/dbraw/zinc/66/07/71/602660771.db2.gz KBIWARMLGZDXAE-SNVBAGLBSA-N -1 1 388.346 1.944 20 0 GDADMM COC1(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)CCN(C(=O)[O-])CC1 ZINC000739797206 602666570 /nfs/dbraw/zinc/66/65/70/602666570.db2.gz JTJVAGVOIBNGHL-UHFFFAOYSA-N -1 1 377.376 1.386 20 0 GDADMM COC1(C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)CCN(C(=O)[O-])CC1 ZINC000739797206 602666571 /nfs/dbraw/zinc/66/65/71/602666571.db2.gz JTJVAGVOIBNGHL-UHFFFAOYSA-N -1 1 377.376 1.386 20 0 GDADMM CN1CCN(c2ccc(CNC(=O)NCC[C@H]3CCN(C(=O)[O-])C3)cn2)CC1 ZINC000739737028 602695322 /nfs/dbraw/zinc/69/53/22/602695322.db2.gz UPOKRGLYXAHIFT-HNNXBMFYSA-N -1 1 390.488 1.023 20 0 GDADMM CN1CCN(c2ccc(NC(=O)c3csc(CNC(=O)[O-])n3)cc2)CC1 ZINC000739736891 602695472 /nfs/dbraw/zinc/69/54/72/602695472.db2.gz SAQBRGGPASBZNT-UHFFFAOYSA-N -1 1 375.454 1.915 20 0 GDADMM Nc1nc(CN2CCN(C[C@@H]3CCCN(C(=O)[O-])C3)CC2)nc2ccccc12 ZINC000740342062 602702596 /nfs/dbraw/zinc/70/25/96/602702596.db2.gz QIZLEDSAPCTRDF-HNNXBMFYSA-N -1 1 384.484 1.720 20 0 GDADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCCN1C(=O)c1ccnc(N2CCN(C)CC2)c1 ZINC000739011135 602710519 /nfs/dbraw/zinc/71/05/19/602710519.db2.gz OYXPTVRIVXHJAM-ZBFHGGJFSA-N -1 1 375.473 1.484 20 0 GDADMM CCOc1ncccc1CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825659581 607583326 /nfs/dbraw/zinc/58/33/26/607583326.db2.gz VOLCTHKXLXKMEZ-UHFFFAOYSA-N -1 1 378.389 1.278 20 0 GDADMM CCC[C@@](C)(NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)C(=O)OC ZINC000825233970 607583388 /nfs/dbraw/zinc/58/33/88/607583388.db2.gz UAXAPLCVFMAESM-CQSZACIVSA-N -1 1 387.849 1.530 20 0 GDADMM CCC[C@@](C)(NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)C(=O)OC ZINC000825233970 607583389 /nfs/dbraw/zinc/58/33/89/607583389.db2.gz UAXAPLCVFMAESM-CQSZACIVSA-N -1 1 387.849 1.530 20 0 GDADMM CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)NCCN(C)C(=O)[O-])c2C1 ZINC000738764133 602766100 /nfs/dbraw/zinc/76/61/00/602766100.db2.gz DBBGTXLQHHVPME-CYBMUJFWSA-N -1 1 376.457 1.711 20 0 GDADMM Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNC[C@H](NC(=O)[O-])C(C)C ZINC000740251232 602791757 /nfs/dbraw/zinc/79/17/57/602791757.db2.gz GDWOZWQTCXZOBI-AAEUAGOBSA-N -1 1 392.909 1.586 20 0 GDADMM COc1ccc(CCNC(=O)CN2CC[C@H](NC(=O)[O-])[C@H](C)C2)cc1OC ZINC000739898557 602800090 /nfs/dbraw/zinc/80/00/90/602800090.db2.gz VKLVXDSNHQFYRE-HIFRSBDPSA-N -1 1 379.457 1.341 20 0 GDADMM C[C@@H]1CN(C(=O)NCc2ccc(N3CCN(C)CC3)nc2)CC[C@@H]1NC(=O)[O-] ZINC000739143541 602816474 /nfs/dbraw/zinc/81/64/74/602816474.db2.gz VMQVTLMAWANUDK-ZBFHGGJFSA-N -1 1 390.488 1.021 20 0 GDADMM CC(=O)Nc1cccc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000824005589 607588087 /nfs/dbraw/zinc/58/80/87/607588087.db2.gz YPEUQAFYSOQMQZ-UHFFFAOYSA-N -1 1 390.400 1.443 20 0 GDADMM CC(C)[C@H](CNC(=O)N[C@H](CN1CCN(C)CC1)c1ccccc1)NC(=O)[O-] ZINC000738786567 602833734 /nfs/dbraw/zinc/83/37/34/602833734.db2.gz KYVBTUNBDFCWLL-ZWKOTPCHSA-N -1 1 391.516 1.567 20 0 GDADMM CC(C)[C@@H](CNC(=O)N[C@@H](CN1CCN(C)CC1)c1ccccc1)NC(=O)[O-] ZINC000738786564 602833857 /nfs/dbraw/zinc/83/38/57/602833857.db2.gz KYVBTUNBDFCWLL-MSOLQXFVSA-N -1 1 391.516 1.567 20 0 GDADMM COc1ccccc1[C@H](NC(=O)[O-])C(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000739969236 602886244 /nfs/dbraw/zinc/88/62/44/602886244.db2.gz WVUZIUWLFBGADT-PBHICJAKSA-N -1 1 379.457 1.477 20 0 GDADMM CC(C)[C@@H]1CN(C)CCN1C(=O)NCCCN(Cc1cccnc1)C(=O)[O-] ZINC000738802032 602912044 /nfs/dbraw/zinc/91/20/44/602912044.db2.gz SRNTXTMWYFGVSK-KRWDZBQOSA-N -1 1 377.489 1.933 20 0 GDADMM CS(=O)(=O)Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[O-])nc2)cc1 ZINC000739985170 602950198 /nfs/dbraw/zinc/95/01/98/602950198.db2.gz JUTOZKNOXHFNFH-UHFFFAOYSA-N -1 1 385.423 1.517 20 0 GDADMM C[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)C(=O)NC(C)(C)C ZINC000824641644 607596764 /nfs/dbraw/zinc/59/67/64/607596764.db2.gz YDNSBAAUVBIRQN-QMMMGPOBSA-N -1 1 386.865 1.102 20 0 GDADMM C[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)C(=O)NC(C)(C)C ZINC000824641644 607596766 /nfs/dbraw/zinc/59/67/66/607596766.db2.gz YDNSBAAUVBIRQN-QMMMGPOBSA-N -1 1 386.865 1.102 20 0 GDADMM CCOC(=O)CCN(C1CC1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825511756 607598566 /nfs/dbraw/zinc/59/85/66/607598566.db2.gz DJGMVYSQMCBEKL-UHFFFAOYSA-N -1 1 383.405 1.112 20 0 GDADMM CCOC(=O)CCN(C1CC1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825511756 607598567 /nfs/dbraw/zinc/59/85/67/607598567.db2.gz DJGMVYSQMCBEKL-UHFFFAOYSA-N -1 1 383.405 1.112 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CSCN1C(=O)c1ccccc1 ZINC000826467149 607599586 /nfs/dbraw/zinc/59/95/86/607599586.db2.gz JAJRLNFCMYFOMK-HNNXBMFYSA-N -1 1 396.432 1.520 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CSCN1C(=O)c1ccccc1 ZINC000826467149 607599587 /nfs/dbraw/zinc/59/95/87/607599587.db2.gz JAJRLNFCMYFOMK-HNNXBMFYSA-N -1 1 396.432 1.520 20 0 GDADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1Cc1nc([C@H](C)CN(C)C(=O)[O-])no1 ZINC000740028194 603024567 /nfs/dbraw/zinc/02/45/67/603024567.db2.gz JEIYYYDFADXWTR-SECBINFHSA-N -1 1 385.384 1.635 20 0 GDADMM COCCCCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826156084 607602069 /nfs/dbraw/zinc/60/20/69/607602069.db2.gz OSLBHXNMOPJKJK-UHFFFAOYSA-N -1 1 393.391 1.981 20 0 GDADMM CC(C)(C)c1n[nH]c([C@@H]2CN(C(=O)C3(NC(=O)[O-])CCCCC3)CCO2)n1 ZINC000823864054 603077387 /nfs/dbraw/zinc/07/73/87/603077387.db2.gz GXJOBOQDTKUSAD-LBPRGKRZSA-N -1 1 379.461 1.973 20 0 GDADMM CC(C)(C)c1nnc([C@@H]2CN(C(=O)C3(NC(=O)[O-])CCCCC3)CCO2)[nH]1 ZINC000823864054 603077393 /nfs/dbraw/zinc/07/73/93/603077393.db2.gz GXJOBOQDTKUSAD-LBPRGKRZSA-N -1 1 379.461 1.973 20 0 GDADMM CC(C)(C)NC(=O)CCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824093342 607606054 /nfs/dbraw/zinc/60/60/54/607606054.db2.gz GAAVXNKUBRLHBF-UHFFFAOYSA-N -1 1 386.865 1.103 20 0 GDADMM CC(C)(C)NC(=O)CCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824093342 607606055 /nfs/dbraw/zinc/60/60/55/607606055.db2.gz GAAVXNKUBRLHBF-UHFFFAOYSA-N -1 1 386.865 1.103 20 0 GDADMM O=C(CNC(=O)N1CCc2ccccc2C1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826411780 607608071 /nfs/dbraw/zinc/60/80/71/607608071.db2.gz NFGUONVPXTZDDM-UHFFFAOYSA-N -1 1 393.407 1.073 20 0 GDADMM O=C(CNC(=O)N1CCc2ccccc2C1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826411780 607608073 /nfs/dbraw/zinc/60/80/73/607608073.db2.gz NFGUONVPXTZDDM-UHFFFAOYSA-N -1 1 393.407 1.073 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)C1)C(=O)[O-] ZINC000739651550 603128061 /nfs/dbraw/zinc/12/80/61/603128061.db2.gz UYBUWUYDPHCCOA-NSHDSACASA-N -1 1 376.392 1.752 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)C1)C(=O)[O-] ZINC000739651550 603128063 /nfs/dbraw/zinc/12/80/63/603128063.db2.gz UYBUWUYDPHCCOA-NSHDSACASA-N -1 1 376.392 1.752 20 0 GDADMM CN(C[C@H]1CCN(C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)C1)C(=O)[O-] ZINC000739651548 603128167 /nfs/dbraw/zinc/12/81/67/603128167.db2.gz UYBUWUYDPHCCOA-LLVKDONJSA-N -1 1 376.392 1.752 20 0 GDADMM CN(C[C@H]1CCN(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)C1)C(=O)[O-] ZINC000739651548 603128169 /nfs/dbraw/zinc/12/81/69/603128169.db2.gz UYBUWUYDPHCCOA-LLVKDONJSA-N -1 1 376.392 1.752 20 0 GDADMM O=C([O-])NC1CCC(NC(=O)NCC2(N3CCOCC3)CCCCC2)CC1 ZINC000740557202 603144135 /nfs/dbraw/zinc/14/41/35/603144135.db2.gz UJDMVQTXYUCVSJ-UHFFFAOYSA-N -1 1 382.505 1.900 20 0 GDADMM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000739204980 603158258 /nfs/dbraw/zinc/15/82/58/603158258.db2.gz FDJYIACESJIINJ-UFBFGSQYSA-N -1 1 392.437 1.857 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1nnn(C2CC2)c1C(F)(F)F ZINC000826467105 607611342 /nfs/dbraw/zinc/61/13/42/607611342.db2.gz HLTKWYOOBQOADS-UHFFFAOYSA-N -1 1 380.290 1.564 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1nnn(C2CC2)c1C(F)(F)F ZINC000826467105 607611343 /nfs/dbraw/zinc/61/13/43/607611343.db2.gz HLTKWYOOBQOADS-UHFFFAOYSA-N -1 1 380.290 1.564 20 0 GDADMM O=S(=O)(NC[C@@H]1CCOc2ccccc21)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826490535 607612460 /nfs/dbraw/zinc/61/24/60/607612460.db2.gz YJWMUJLSFPRTPZ-NSHDSACASA-N -1 1 389.412 1.850 20 0 GDADMM CN1CCN(C[C@@H](NC(=O)N[C@H]2CCCN(C(=O)[O-])C2)c2ccccc2)CC1 ZINC000737526513 603265261 /nfs/dbraw/zinc/26/52/61/603265261.db2.gz RBJAHYYYCRBBKG-ZWKOTPCHSA-N -1 1 389.500 1.417 20 0 GDADMM Cc1nn(C)c(C)c1CN(C)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826333725 607620224 /nfs/dbraw/zinc/62/02/24/607620224.db2.gz SCDCXYWKAFNQKW-UHFFFAOYSA-N -1 1 395.876 1.691 20 0 GDADMM O=S(=O)(Oc1cccc(-n2cncn2)c1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826493332 607621068 /nfs/dbraw/zinc/62/10/68/607621068.db2.gz GCMOJXBECZUYKE-UHFFFAOYSA-N -1 1 387.356 1.354 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@H]1Cn1cccn1 ZINC000826495380 607621927 /nfs/dbraw/zinc/62/19/27/607621927.db2.gz NOZCNLLUCSYFKN-LBPRGKRZSA-N -1 1 377.405 1.056 20 0 GDADMM CCCCN(CCO)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825285018 607622841 /nfs/dbraw/zinc/62/28/41/607622841.db2.gz GQQZFNBEDVRJBX-UHFFFAOYSA-N -1 1 393.391 1.669 20 0 GDADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000827418859 603393617 /nfs/dbraw/zinc/39/36/17/603393617.db2.gz UQRRULPRRICKCQ-CQSZACIVSA-N -1 1 391.472 1.711 20 0 GDADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCN(C(=O)[O-])CC1 ZINC000827418567 603393843 /nfs/dbraw/zinc/39/38/43/603393843.db2.gz PFKUQELYFQEWGS-UHFFFAOYSA-N -1 1 391.472 1.665 20 0 GDADMM O=S(=O)(NC[C@@H](O)C1CCCCC1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826489388 607627304 /nfs/dbraw/zinc/62/73/04/607627304.db2.gz OFURASDJBFABPG-GFCCVEGCSA-N -1 1 385.877 1.740 20 0 GDADMM O=S(=O)(NC[C@@H](O)C1CCCCC1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826489388 607627306 /nfs/dbraw/zinc/62/73/06/607627306.db2.gz OFURASDJBFABPG-GFCCVEGCSA-N -1 1 385.877 1.740 20 0 GDADMM COCCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000739833919 603424476 /nfs/dbraw/zinc/42/44/76/603424476.db2.gz MEYOPODFCCZLQM-GFCCVEGCSA-N -1 1 382.392 1.081 20 0 GDADMM O=S(=O)(c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)N1CCC[C@H]1CO ZINC000826494398 607628798 /nfs/dbraw/zinc/62/87/98/607628798.db2.gz AHSNPOJERQBVPO-VIFPVBQESA-N -1 1 377.348 1.031 20 0 GDADMM O=C([O-])N[C@H](CC(=O)N[C@H](c1nn[nH]n1)c1ccccc1)Cc1ccccc1 ZINC000832099463 603508821 /nfs/dbraw/zinc/50/88/21/603508821.db2.gz NRUIUYJKVHZRTB-RDJZCZTQSA-N -1 1 380.408 1.674 20 0 GDADMM CCN(CC1CCN(CC(=O)NCCN2CCc3ccccc32)CC1)C(=O)[O-] ZINC000827092742 603513275 /nfs/dbraw/zinc/51/32/75/603513275.db2.gz IQDHEIMTVHRUJG-UHFFFAOYSA-N -1 1 388.512 1.877 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000826495583 607634532 /nfs/dbraw/zinc/63/45/32/607634532.db2.gz UNBMNXWFLKKLPD-QWRGUYRKSA-N -1 1 395.338 1.082 20 0 GDADMM C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)[C@@H](O)c1ccc(F)cc1 ZINC000824641609 607636453 /nfs/dbraw/zinc/63/64/53/607636453.db2.gz XKWZATJNHCCMEJ-BJOHPYRUSA-N -1 1 395.391 1.545 20 0 GDADMM C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)[C@@H](O)c1ccc(F)cc1 ZINC000824641609 607636454 /nfs/dbraw/zinc/63/64/54/607636454.db2.gz XKWZATJNHCCMEJ-BJOHPYRUSA-N -1 1 395.391 1.545 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNC(=O)[O-])NCc1csc(CS(C)(=O)=O)n1 ZINC000825893674 603560465 /nfs/dbraw/zinc/56/04/65/603560465.db2.gz APXFJMUVBOKWNB-ABAIWWIYSA-N -1 1 375.516 1.994 20 0 GDADMM CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N[C@@H]1CCC[C@H]1CNC(=O)[O-] ZINC000828042791 603562083 /nfs/dbraw/zinc/56/20/83/603562083.db2.gz PSJHPEMSIJPAEU-GXTWGEPZSA-N -1 1 377.445 1.405 20 0 GDADMM COc1ccccc1[C@H](NC(=O)[O-])C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000829605200 603584377 /nfs/dbraw/zinc/58/43/77/603584377.db2.gz WGSAFNLWMDGWDS-YOEHRIQHSA-N -1 1 377.441 1.185 20 0 GDADMM Cc1ccccc1[C@H](O)CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826305873 607638697 /nfs/dbraw/zinc/63/86/97/607638697.db2.gz KQEDHFRAQDTROH-CQSZACIVSA-N -1 1 377.401 1.326 20 0 GDADMM C[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)C[C@H](C)O ZINC000824690722 607641481 /nfs/dbraw/zinc/64/14/81/607641481.db2.gz UWQYBHUTIRQXJP-BDAKNGLRSA-N -1 1 393.391 1.571 20 0 GDADMM Cc1oc(NC(=O)[C@@H](C)N(CCO)Cc2cccnc2)c(-c2nn[n-]n2)c1C ZINC000826341473 607641690 /nfs/dbraw/zinc/64/16/90/607641690.db2.gz ILPREMAQQGVORE-GFCCVEGCSA-N -1 1 385.428 1.293 20 0 GDADMM C[C@@H](O)CN(Cc1ccccc1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824706091 607643364 /nfs/dbraw/zinc/64/33/64/607643364.db2.gz GNWPAGIWJCHSRH-GFCCVEGCSA-N -1 1 391.428 1.578 20 0 GDADMM C[C@@H](O)CN(Cc1ccccc1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824706091 607643366 /nfs/dbraw/zinc/64/33/66/607643366.db2.gz GNWPAGIWJCHSRH-GFCCVEGCSA-N -1 1 391.428 1.578 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccc(CN3CCN(C)CC3)cc2)[C@@H]1CNC(=O)[O-] ZINC000825912281 603687268 /nfs/dbraw/zinc/68/72/68/603687268.db2.gz GVHOZEAXDVSXQI-VQIMIIECSA-N -1 1 388.512 1.942 20 0 GDADMM O=C([O-])N1CCCC[C@H]1CNC(=O)CCN1CCN(c2ccccn2)CC1 ZINC000831431759 603701121 /nfs/dbraw/zinc/70/11/21/603701121.db2.gz BMPRPAZNAIPDTN-INIZCTEOSA-N -1 1 375.473 1.242 20 0 GDADMM CCO[C@@H]1C[C@@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C12CCC2 ZINC000825583478 607646829 /nfs/dbraw/zinc/64/68/29/607646829.db2.gz UVCFXTOVCYGJSA-CHWSQXEVSA-N -1 1 381.433 1.632 20 0 GDADMM CCO[C@@H]1C[C@@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C12CCC2 ZINC000825583478 607646831 /nfs/dbraw/zinc/64/68/31/607646831.db2.gz UVCFXTOVCYGJSA-CHWSQXEVSA-N -1 1 381.433 1.632 20 0 GDADMM Cc1nnc(SCCC(=O)Nc2ccc(N3CCN(C(=O)[O-])CC3)cn2)[nH]1 ZINC000830892847 603735121 /nfs/dbraw/zinc/73/51/21/603735121.db2.gz GCSCQQNKPQSTTN-UHFFFAOYSA-N -1 1 391.457 1.429 20 0 GDADMM CN(C(=O)[O-])C1CCN(C(=O)CCN2CCN(c3ccccn3)CC2)CC1 ZINC000827841641 603768507 /nfs/dbraw/zinc/76/85/07/603768507.db2.gz YQTZYLSHAUNQJX-UHFFFAOYSA-N -1 1 375.473 1.195 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCC[C@H](n2cncn2)C1 ZINC000826495576 607656847 /nfs/dbraw/zinc/65/68/47/607656847.db2.gz UJMSTRHTBYFKLL-JTQLQIEISA-N -1 1 394.848 1.137 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCC[C@H](n2cncn2)C1 ZINC000826495576 607656849 /nfs/dbraw/zinc/65/68/49/607656849.db2.gz UJMSTRHTBYFKLL-JTQLQIEISA-N -1 1 394.848 1.137 20 0 GDADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)C3CCS(=O)(=O)CC3)cc2)n1 ZINC000832730204 603913736 /nfs/dbraw/zinc/91/37/36/603913736.db2.gz NNWLKEGBMHTJPR-UHFFFAOYSA-N -1 1 393.425 1.003 20 0 GDADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)C3CCS(=O)(=O)CC3)cc2)n[nH]1 ZINC000832730204 603913739 /nfs/dbraw/zinc/91/37/39/603913739.db2.gz NNWLKEGBMHTJPR-UHFFFAOYSA-N -1 1 393.425 1.003 20 0 GDADMM Cc1ccccc1[C@@H](CO)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826305934 607659721 /nfs/dbraw/zinc/65/97/21/607659721.db2.gz MIAOXLYZWQKHCT-CYBMUJFWSA-N -1 1 377.401 1.326 20 0 GDADMM Cc1ccccc1[C@@H](CO)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826305934 607659722 /nfs/dbraw/zinc/65/97/22/607659722.db2.gz MIAOXLYZWQKHCT-CYBMUJFWSA-N -1 1 377.401 1.326 20 0 GDADMM CCOC(=O)CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825511724 607660662 /nfs/dbraw/zinc/66/06/62/607660662.db2.gz CAVUOHRZBKFLNC-UHFFFAOYSA-N -1 1 393.347 1.117 20 0 GDADMM CCC(CC)(CNC(=O)[O-])NC(=O)[C@H](C)NC(=O)c1n[nH]c2ccccc21 ZINC000826544960 603941129 /nfs/dbraw/zinc/94/11/29/603941129.db2.gz XHPOLOQWVJTQGL-NSHDSACASA-N -1 1 375.429 1.624 20 0 GDADMM CC(C)[C@H]1OCC[C@H]1CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824228297 607661870 /nfs/dbraw/zinc/66/18/70/607661870.db2.gz HFHUYAJJHJLDIO-IINYFYTJSA-N -1 1 385.877 1.860 20 0 GDADMM CC(C)[C@H]1OCC[C@H]1CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824228297 607661872 /nfs/dbraw/zinc/66/18/72/607661872.db2.gz HFHUYAJJHJLDIO-IINYFYTJSA-N -1 1 385.877 1.860 20 0 GDADMM C[C@H]1CN(C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)C[C@H](C)N1C(=O)[O-] ZINC000825987978 604001199 /nfs/dbraw/zinc/00/11/99/604001199.db2.gz GUAAQDOHJPEQLD-QWRGUYRKSA-N -1 1 376.438 1.284 20 0 GDADMM CC(C)(C)c1n[nH]c([C@@H]2CN(C(=O)N[C@H](CNC(=O)[O-])C3CC3)CCO2)n1 ZINC000823865794 604002259 /nfs/dbraw/zinc/00/22/59/604002259.db2.gz XUTDSPRLLWUUCX-NEPJUHHUSA-N -1 1 380.449 1.231 20 0 GDADMM CC(C)(C)c1nnc([C@@H]2CN(C(=O)N[C@H](CNC(=O)[O-])C3CC3)CCO2)[nH]1 ZINC000823865794 604002267 /nfs/dbraw/zinc/00/22/67/604002267.db2.gz XUTDSPRLLWUUCX-NEPJUHHUSA-N -1 1 380.449 1.231 20 0 GDADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000827419037 604014741 /nfs/dbraw/zinc/01/47/41/604014741.db2.gz WLPAFPKGIKIYPQ-MRXNPFEDSA-N -1 1 392.456 1.154 20 0 GDADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827418178 604014927 /nfs/dbraw/zinc/01/49/27/604014927.db2.gz JTEFBQNJZCIRQK-CQSZACIVSA-N -1 1 376.457 1.776 20 0 GDADMM CCN(Cc1cccc(NC(=O)C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)c1)C(=O)[O-] ZINC000827162141 604042452 /nfs/dbraw/zinc/04/24/52/604042452.db2.gz SIQIWPFQCXCZGB-BBRMVZONSA-N -1 1 388.468 1.866 20 0 GDADMM Cc1ccc(NC(=O)[O-])c(OCC(=O)NC[C@@H]2CN(CC(C)C)CCO2)c1 ZINC000830390292 604050595 /nfs/dbraw/zinc/05/05/95/604050595.db2.gz KRHRHIZGKSYWFH-OAHLLOKOSA-N -1 1 379.457 1.937 20 0 GDADMM COc1ccc(NC(=O)N2CCN(C[C@@H]3CCOC3)CC2)cc1NC(=O)[O-] ZINC000829461080 604126824 /nfs/dbraw/zinc/12/68/24/604126824.db2.gz TZSDRVHYUSVTOB-ZDUSSCGKSA-N -1 1 378.429 1.971 20 0 GDADMM COc1ccc(CNC(=O)CN2CCC[C@H]([C@H](C)NC(=O)[O-])C2)cc1OC ZINC000829370736 604205063 /nfs/dbraw/zinc/20/50/63/604205063.db2.gz FQEGSWYWBVIGKL-ZFWWWQNUSA-N -1 1 379.457 1.688 20 0 GDADMM O=S(=O)(NCCCc1ccccn1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826490870 607679668 /nfs/dbraw/zinc/67/96/68/607679668.db2.gz KKKTZNCVLLZRPN-UHFFFAOYSA-N -1 1 378.845 1.826 20 0 GDADMM O=S(=O)(NCCCc1ccccn1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826490870 607679670 /nfs/dbraw/zinc/67/96/70/607679670.db2.gz KKKTZNCVLLZRPN-UHFFFAOYSA-N -1 1 378.845 1.826 20 0 GDADMM O=S(=O)(c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)N1CCc2c[nH]nc2C1 ZINC000826494817 607680460 /nfs/dbraw/zinc/68/04/60/607680460.db2.gz QKKGWPFHJZMPQQ-UHFFFAOYSA-N -1 1 399.358 1.356 20 0 GDADMM O=C([O-])N(CC1CC1)C1CCN(CC2=Nc3ccccc3S(=O)(=O)N2)CC1 ZINC000831825644 604236265 /nfs/dbraw/zinc/23/62/65/604236265.db2.gz CTCWTSYKUGQVQH-UHFFFAOYSA-N -1 1 392.481 1.863 20 0 GDADMM COc1ccc(N(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c(OC)c1 ZINC000826209010 607683054 /nfs/dbraw/zinc/68/30/54/607683054.db2.gz JGVDJBGKHQWDMU-UHFFFAOYSA-N -1 1 393.400 1.848 20 0 GDADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000827362222 604298871 /nfs/dbraw/zinc/29/88/71/604298871.db2.gz KYUNDLKQHNFBLY-LSDHHAIUSA-N -1 1 399.488 1.020 20 0 GDADMM CC(=O)N1CCCN([C@@H]2CN(C(=O)c3[nH]c(C)c(C(=O)[O-])c3C)C[C@@H]2C)CC1 ZINC000825834694 604325153 /nfs/dbraw/zinc/32/51/53/604325153.db2.gz UHHPIKWIHPDBGT-BLLLJJGKSA-N -1 1 390.484 1.344 20 0 GDADMM C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc(-n4[n-]c(CC(=O)[O-])cc4=O)cc3)CC[C@@H]21 ZINC000830941060 604355215 /nfs/dbraw/zinc/35/52/15/604355215.db2.gz QPRDIUKDEHDCTR-QAPCUYQASA-N -1 1 398.463 1.349 20 0 GDADMM C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc(-n4[n-]c(CC(=O)[O-])cc4=O)cc3)CC[C@@H]21 ZINC000830941060 604355216 /nfs/dbraw/zinc/35/52/16/604355216.db2.gz QPRDIUKDEHDCTR-QAPCUYQASA-N -1 1 398.463 1.349 20 0 GDADMM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000833104789 604368580 /nfs/dbraw/zinc/36/85/80/604368580.db2.gz FDMOUDGHOSKBOW-ZWDAVXSWSA-N -1 1 399.491 1.907 20 0 GDADMM CS[C@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)C[C@@H]1N(C)C ZINC000833737684 604467178 /nfs/dbraw/zinc/46/71/78/604467178.db2.gz DSNPLSJVNASFDF-STQMWFEESA-N -1 1 378.903 1.704 20 0 GDADMM CS[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)C[C@@H]1N(C)C ZINC000833738872 604468084 /nfs/dbraw/zinc/46/80/84/604468084.db2.gz VROVUDBTFXATFW-QWHCGFSZSA-N -1 1 378.903 1.704 20 0 GDADMM CS[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])C[C@H]1N(C)C ZINC000833738746 604468236 /nfs/dbraw/zinc/46/82/36/604468236.db2.gz RADVQFAXGHKTSU-NEPJUHHUSA-N -1 1 378.903 1.704 20 0 GDADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CC[C@@H](NC(=O)[O-])C1 ZINC000827418855 604552599 /nfs/dbraw/zinc/55/25/99/604552599.db2.gz ULOGXOKQELMDCH-CQSZACIVSA-N -1 1 391.472 1.711 20 0 GDADMM O=C([O-])CCOc1ccc(S(=O)(=O)[N-]c2ccnn2-c2cc[nH+]cc2)cc1 ZINC000833239033 604623306 /nfs/dbraw/zinc/62/33/06/604623306.db2.gz AQZVVDOOHVYWEY-UHFFFAOYSA-N -1 1 388.405 1.922 20 0 GDADMM C[C@@H](Oc1ccc(CN2CCCC[C@@H]2C(=O)N2CCOCC2)cc1)C(=O)[O-] ZINC000833542830 604630513 /nfs/dbraw/zinc/63/05/13/604630513.db2.gz SXHUETGQEUPSOT-CRAIPNDOSA-N -1 1 376.453 1.752 20 0 GDADMM COc1cccc([C@@H](CNC(=O)[C@@H]2CN(C(=O)[O-])CCO2)N2CCCC2)c1 ZINC000829544784 604652246 /nfs/dbraw/zinc/65/22/46/604652246.db2.gz YCIAPIRCPGRARJ-SJORKVTESA-N -1 1 377.441 1.327 20 0 GDADMM COc1ccccc1[C@@H](CNC(=O)C[C@@H]1CN(C(=O)[O-])CCO1)N1CCCC1 ZINC000829591787 604652335 /nfs/dbraw/zinc/65/23/35/604652335.db2.gz HUBCUNCWXAFXOT-NVXWUHKLSA-N -1 1 391.468 1.717 20 0 GDADMM COc1ccc(CN2CCCN(C(=O)[C@@H]3CN(C(=O)[O-])CCO3)CC2)cc1 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605841803 /nfs/dbraw/zinc/84/18/03/605841803.db2.gz VQUPOAVVWWGSHO-UHFFFAOYSA-N -1 1 377.460 1.900 20 0 GDADMM O=C([O-])NC[C@H]1CCCN1C(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000834213703 605936674 /nfs/dbraw/zinc/93/66/74/605936674.db2.gz CNCFZAJPHCWCMG-SECBINFHSA-N -1 1 381.339 1.698 20 0 GDADMM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](c1ccccc1)N1CCC(O)CC1 ZINC000834091442 605990980 /nfs/dbraw/zinc/99/09/80/605990980.db2.gz CGCRBUBGOJZPJT-ZIFCJYIRSA-N -1 1 387.480 1.928 20 0 GDADMM CCO[C@@H](CCNC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)C(C)C ZINC000821350747 606053904 /nfs/dbraw/zinc/05/39/04/606053904.db2.gz CIHCTNVRHMZKAM-LBPRGKRZSA-N -1 1 380.474 1.870 20 0 GDADMM O=C([O-])NCc1nc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cs1 ZINC000834249703 606094308 /nfs/dbraw/zinc/09/43/08/606094308.db2.gz WNXQSWHLINCAOL-SNVBAGLBSA-N -1 1 376.442 1.926 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)NCc1ccccc1F ZINC000820512981 606133523 /nfs/dbraw/zinc/13/35/23/606133523.db2.gz RFMFDLNDIOWSMS-VIFPVBQESA-N -1 1 375.385 1.929 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)NCc1ccccc1F ZINC000820512981 606133525 /nfs/dbraw/zinc/13/35/25/606133525.db2.gz RFMFDLNDIOWSMS-VIFPVBQESA-N -1 1 375.385 1.929 20 0 GDADMM C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820704454 606135396 /nfs/dbraw/zinc/13/53/96/606135396.db2.gz NZTHHQTXFLGZPF-UWVGGRQHSA-N -1 1 392.441 1.490 20 0 GDADMM C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820704454 606135398 /nfs/dbraw/zinc/13/53/98/606135398.db2.gz NZTHHQTXFLGZPF-UWVGGRQHSA-N -1 1 392.441 1.490 20 0 GDADMM CCOC(=O)[C@H]1CCCCN1C(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821320179 606140203 /nfs/dbraw/zinc/14/02/03/606140203.db2.gz MBIKIHMUCMBIRK-SNVBAGLBSA-N -1 1 393.425 1.029 20 0 GDADMM CCOC(=O)[C@H]1CCCCN1C(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821320179 606140204 /nfs/dbraw/zinc/14/02/04/606140204.db2.gz MBIKIHMUCMBIRK-SNVBAGLBSA-N -1 1 393.425 1.029 20 0 GDADMM COC[C@@H]([N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1)c1ccco1 ZINC000821683640 606144549 /nfs/dbraw/zinc/14/45/49/606144549.db2.gz GQKWMSXNRJCAEG-GFCCVEGCSA-N -1 1 383.817 1.779 20 0 GDADMM CCOC(=O)[C@H](CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccccc1 ZINC000821319131 606158338 /nfs/dbraw/zinc/15/83/38/606158338.db2.gz ATLCFDQFSOGOPQ-GFCCVEGCSA-N -1 1 384.400 1.069 20 0 GDADMM CCOC(=O)[C@H](CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccccc1 ZINC000821319131 606158340 /nfs/dbraw/zinc/15/83/40/606158340.db2.gz ATLCFDQFSOGOPQ-GFCCVEGCSA-N -1 1 384.400 1.069 20 0 GDADMM CCS(=O)(=O)Nc1ccc(NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000821442972 606158471 /nfs/dbraw/zinc/15/84/71/606158471.db2.gz ZKOQOKKUMHWASD-UHFFFAOYSA-N -1 1 391.417 1.006 20 0 GDADMM CCS(=O)(=O)Nc1ccc(NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000821442972 606158473 /nfs/dbraw/zinc/15/84/73/606158473.db2.gz ZKOQOKKUMHWASD-UHFFFAOYSA-N -1 1 391.417 1.006 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCN(c3cc(F)ccc3F)CC2)n1 ZINC000822609075 606160262 /nfs/dbraw/zinc/16/02/62/606160262.db2.gz JBAVKLYEHQUYPG-UHFFFAOYSA-N -1 1 389.370 1.233 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCN(c3cc(F)ccc3F)CC2)n1 ZINC000822609075 606160264 /nfs/dbraw/zinc/16/02/64/606160264.db2.gz JBAVKLYEHQUYPG-UHFFFAOYSA-N -1 1 389.370 1.233 20 0 GDADMM COc1cc(C)c([C@@H](C)NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1OC ZINC000821707822 606162711 /nfs/dbraw/zinc/16/27/11/606162711.db2.gz FMESOSUMNQESTM-SNVBAGLBSA-N -1 1 386.416 1.809 20 0 GDADMM COc1cc(C)c([C@@H](C)NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1OC ZINC000821707822 606162712 /nfs/dbraw/zinc/16/27/12/606162712.db2.gz FMESOSUMNQESTM-SNVBAGLBSA-N -1 1 386.416 1.809 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC(OC[C@@H]3CCCCO3)CC2)n1 ZINC000822609629 606163385 /nfs/dbraw/zinc/16/33/85/606163385.db2.gz SJZVMQHNCBAYDU-ZDUSSCGKSA-N -1 1 390.448 1.182 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC(OC[C@@H]3CCCCO3)CC2)n1 ZINC000822609629 606163388 /nfs/dbraw/zinc/16/33/88/606163388.db2.gz SJZVMQHNCBAYDU-ZDUSSCGKSA-N -1 1 390.448 1.182 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)n1 ZINC000822609345 606164260 /nfs/dbraw/zinc/16/42/60/606164260.db2.gz MOFWVMRDOBOKBM-DZGCQCFKSA-N -1 1 382.428 1.720 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)n1 ZINC000822609345 606164261 /nfs/dbraw/zinc/16/42/61/606164261.db2.gz MOFWVMRDOBOKBM-DZGCQCFKSA-N -1 1 382.428 1.720 20 0 GDADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(-n2cccn2)cc1 ZINC000820380021 606169291 /nfs/dbraw/zinc/16/92/91/606169291.db2.gz JWCVXUKFXZUSMU-NSHDSACASA-N -1 1 378.400 1.669 20 0 GDADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(-n2cccn2)cc1 ZINC000820380021 606169293 /nfs/dbraw/zinc/16/92/93/606169293.db2.gz JWCVXUKFXZUSMU-NSHDSACASA-N -1 1 378.400 1.669 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2cc(F)cc(Br)c2)n1 ZINC000822620189 606172470 /nfs/dbraw/zinc/17/24/70/606172470.db2.gz KUADWDSEJTZUOW-UHFFFAOYSA-N -1 1 395.196 1.824 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2cc(F)cc(Br)c2)n1 ZINC000822620189 606172471 /nfs/dbraw/zinc/17/24/71/606172471.db2.gz KUADWDSEJTZUOW-UHFFFAOYSA-N -1 1 395.196 1.824 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@@H](O)COCC(C)C ZINC000822535623 606291648 /nfs/dbraw/zinc/29/16/48/606291648.db2.gz YOYDMEWDMRHBBU-CYBMUJFWSA-N -1 1 388.428 1.322 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@@H](O)COCC(C)C ZINC000822535623 606291650 /nfs/dbraw/zinc/29/16/50/606291650.db2.gz YOYDMEWDMRHBBU-CYBMUJFWSA-N -1 1 388.428 1.322 20 0 GDADMM CC(C)(C)OC(=O)NCCOCC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000819940351 606297018 /nfs/dbraw/zinc/29/70/18/606297018.db2.gz YBMNACAKNXNSDE-UHFFFAOYSA-N -1 1 378.389 1.052 20 0 GDADMM CC(=O)Nc1cc(S(=O)(=O)N(C)c2cccc(-c3nn[nH]n3)c2)ccc1[O-] ZINC000819810826 606337018 /nfs/dbraw/zinc/33/70/18/606337018.db2.gz RBAMMZKAWBIGNT-UHFFFAOYSA-N -1 1 388.409 1.356 20 0 GDADMM CCN1C(=S)N[C@H](c2ccc(-c3nn[n-]n3)s2)C(C(=O)N(C)C)=C1C ZINC000821242620 606393476 /nfs/dbraw/zinc/39/34/76/606393476.db2.gz VOZTXMLIJQXZJO-GFCCVEGCSA-N -1 1 377.499 1.542 20 0 GDADMM O=C1N[C@@H](c2ccc(-c3nn[n-]n3)s2)Nc2ccc(N3CCOCC3)cc21 ZINC000823542928 606394606 /nfs/dbraw/zinc/39/46/06/606394606.db2.gz ZECDYPUXDIVHCJ-HNNXBMFYSA-N -1 1 383.437 1.619 20 0 GDADMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc(Br)c(F)c2)c1=O ZINC000821565447 606399189 /nfs/dbraw/zinc/39/91/89/606399189.db2.gz TYMKVVFTMPVHMQ-UHFFFAOYSA-N -1 1 395.192 1.160 20 0 GDADMM CCCCO[C@H]1C[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1(C)C ZINC000821071421 606404094 /nfs/dbraw/zinc/40/40/94/606404094.db2.gz DMXFEMAPXVCSPX-KGLIPLIRSA-N -1 1 380.474 1.524 20 0 GDADMM CCCCO[C@H]1C[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1(C)C ZINC000821071421 606404095 /nfs/dbraw/zinc/40/40/95/606404095.db2.gz DMXFEMAPXVCSPX-KGLIPLIRSA-N -1 1 380.474 1.524 20 0 GDADMM CO[C@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C1 ZINC000821697491 606435187 /nfs/dbraw/zinc/43/51/87/606435187.db2.gz CBRARBVQPJAOJO-VIFPVBQESA-N -1 1 377.348 1.295 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N(Cc2ccco2)Cc2ccccc2)n(C)c1=O ZINC000822601429 606439240 /nfs/dbraw/zinc/43/92/40/606439240.db2.gz ZNWXUVZZZIMIIR-UHFFFAOYSA-N -1 1 393.407 1.064 20 0 GDADMM Clc1ccc(Nc2cnn(CCN3CCOCC3)c2)nc1-c1nnn[n-]1 ZINC000822578672 606465622 /nfs/dbraw/zinc/46/56/22/606465622.db2.gz NRQGKLKGMNTFDQ-UHFFFAOYSA-N -1 1 375.824 1.187 20 0 GDADMM Clc1ccc(Nc2cnn(CCN3CCOCC3)c2)nc1-c1nn[n-]n1 ZINC000822578672 606465623 /nfs/dbraw/zinc/46/56/23/606465623.db2.gz NRQGKLKGMNTFDQ-UHFFFAOYSA-N -1 1 375.824 1.187 20 0 GDADMM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)s2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000822209721 606498411 /nfs/dbraw/zinc/49/84/11/606498411.db2.gz TZPQLUZVKUJVSX-VIFPVBQESA-N -1 1 393.454 1.045 20 0 GDADMM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000822209721 606498413 /nfs/dbraw/zinc/49/84/13/606498413.db2.gz TZPQLUZVKUJVSX-VIFPVBQESA-N -1 1 393.454 1.045 20 0 GDADMM O=C(NCCN1CCN(c2ccccc2)CC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823196979 606525408 /nfs/dbraw/zinc/52/54/08/606525408.db2.gz NZBQCTYQLGTKEH-UHFFFAOYSA-N -1 1 383.481 1.480 20 0 GDADMM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)N1CCN(c2ccccc2)CC1 ZINC000820270041 606525832 /nfs/dbraw/zinc/52/58/32/606525832.db2.gz SWAHSLCDGRCJOT-CQSZACIVSA-N -1 1 397.508 1.869 20 0 GDADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1cccc(S(N)(=O)=O)c1 ZINC000820396022 606589534 /nfs/dbraw/zinc/58/95/34/606589534.db2.gz BTBMGHDLUHNQQY-MRVPVSSYSA-N -1 1 378.439 1.067 20 0 GDADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1cccc(S(N)(=O)=O)c1 ZINC000820396022 606589536 /nfs/dbraw/zinc/58/95/36/606589536.db2.gz BTBMGHDLUHNQQY-MRVPVSSYSA-N -1 1 378.439 1.067 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@@H]2CCC[C@H](C(F)(F)F)C2)n(C)c1=O ZINC000822600608 606595323 /nfs/dbraw/zinc/59/53/23/606595323.db2.gz OFGKOCQGLJUYTA-BDAKNGLRSA-N -1 1 387.366 1.045 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@H](CO)c1ccccc1 ZINC000822005581 606604206 /nfs/dbraw/zinc/60/42/06/606604206.db2.gz SNVIWPUNTFUZLQ-OAHLLOKOSA-N -1 1 396.451 1.409 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N(CCO)[C@@H]2CCCc3ccccc32)n1 ZINC000822605107 606642799 /nfs/dbraw/zinc/64/27/99/606642799.db2.gz YWKPDKRPMQXZGX-OAHLLOKOSA-N -1 1 382.428 1.504 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N(CCO)[C@@H]2CCCc3ccccc32)n1 ZINC000822605107 606642800 /nfs/dbraw/zinc/64/28/00/606642800.db2.gz YWKPDKRPMQXZGX-OAHLLOKOSA-N -1 1 382.428 1.504 20 0 GDADMM COC[C@@H](C)CC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000821681315 606669459 /nfs/dbraw/zinc/66/94/59/606669459.db2.gz HKJFOOSQQGKCHX-NSHDSACASA-N -1 1 375.433 1.053 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CC[C@H](C(C)C)C1 ZINC000822459264 606689615 /nfs/dbraw/zinc/68/96/15/606689615.db2.gz OZSHVGHBPRZJMR-AWEZNQCLSA-N -1 1 382.472 1.963 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CC[C@H](C(C)C)C1 ZINC000822459264 606689616 /nfs/dbraw/zinc/68/96/16/606689616.db2.gz OZSHVGHBPRZJMR-AWEZNQCLSA-N -1 1 382.472 1.963 20 0 GDADMM CCCCN1CCc2ccc(Nc3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)cc21 ZINC000821067086 606725849 /nfs/dbraw/zinc/72/58/49/606725849.db2.gz ZFNUGJWKZCDSSK-UHFFFAOYSA-N -1 1 396.455 1.170 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=S)NCc1ccccc1 ZINC000820788485 606764960 /nfs/dbraw/zinc/76/49/60/606764960.db2.gz ICOIFEKSJIOXPQ-CYBMUJFWSA-N -1 1 395.496 1.242 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=S)NCc1ccccc1 ZINC000820788485 606764962 /nfs/dbraw/zinc/76/49/62/606764962.db2.gz ICOIFEKSJIOXPQ-CYBMUJFWSA-N -1 1 395.496 1.242 20 0 GDADMM CCCCc1nc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)no1 ZINC000821077319 606783744 /nfs/dbraw/zinc/78/37/44/606783744.db2.gz AIUAUXSZAAUZKN-GFCCVEGCSA-N -1 1 384.448 1.093 20 0 GDADMM CCCCc1nc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)no1 ZINC000821077319 606783746 /nfs/dbraw/zinc/78/37/46/606783746.db2.gz AIUAUXSZAAUZKN-GFCCVEGCSA-N -1 1 384.448 1.093 20 0 GDADMM Cc1ccccc1NC(=O)CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000822361989 606784484 /nfs/dbraw/zinc/78/44/84/606784484.db2.gz MFZKEUXVAMNRSY-AWEZNQCLSA-N -1 1 393.455 1.114 20 0 GDADMM Cc1ccccc1NC(=O)CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000822361989 606784486 /nfs/dbraw/zinc/78/44/86/606784486.db2.gz MFZKEUXVAMNRSY-AWEZNQCLSA-N -1 1 393.455 1.114 20 0 GDADMM Cc1ccc(C)c([C@H]2CCCN2c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)c1 ZINC000822230414 606788825 /nfs/dbraw/zinc/78/88/25/606788825.db2.gz FRELDWUPHKTUTK-CQSZACIVSA-N -1 1 381.440 1.222 20 0 GDADMM Cc1ccc([C@@H](C)NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)o1 ZINC000822228960 606790063 /nfs/dbraw/zinc/79/00/63/606790063.db2.gz JNMRPVYGXHIDRC-DGCLKSJQSA-N -1 1 397.443 1.539 20 0 GDADMM Cc1ccc([C@@H](C)NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)o1 ZINC000822228960 606790065 /nfs/dbraw/zinc/79/00/65/606790065.db2.gz JNMRPVYGXHIDRC-DGCLKSJQSA-N -1 1 397.443 1.539 20 0 GDADMM C[C@@H](CNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)C(C)(C)C ZINC000820789226 606792386 /nfs/dbraw/zinc/79/23/86/606792386.db2.gz YINKRAQUNMJXBT-STQMWFEESA-N -1 1 387.492 1.559 20 0 GDADMM C[C@@H](CNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)C(C)(C)C ZINC000820789226 606792387 /nfs/dbraw/zinc/79/23/87/606792387.db2.gz YINKRAQUNMJXBT-STQMWFEESA-N -1 1 387.492 1.559 20 0 GDADMM CCC(=O)N1CC[C@H](NC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)C1 ZINC000820838509 606809537 /nfs/dbraw/zinc/80/95/37/606809537.db2.gz UOICUVPIQRSQMZ-LBPRGKRZSA-N -1 1 383.412 1.300 20 0 GDADMM CCC(=O)N1CC[C@H](NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)C1 ZINC000820838509 606809538 /nfs/dbraw/zinc/80/95/38/606809538.db2.gz UOICUVPIQRSQMZ-LBPRGKRZSA-N -1 1 383.412 1.300 20 0 GDADMM CC(=O)c1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)s1 ZINC000819832622 606819837 /nfs/dbraw/zinc/81/98/37/606819837.db2.gz AFYZXVCDANTECX-JTQLQIEISA-N -1 1 398.452 1.272 20 0 GDADMM CC(=O)c1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)s1 ZINC000819832622 606819838 /nfs/dbraw/zinc/81/98/38/606819838.db2.gz AFYZXVCDANTECX-JTQLQIEISA-N -1 1 398.452 1.272 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1ccccc1 ZINC000820775773 606819966 /nfs/dbraw/zinc/81/99/66/606819966.db2.gz JELZHQNSAUQECP-AWEZNQCLSA-N -1 1 378.440 1.327 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1ccccc1 ZINC000820775773 606819967 /nfs/dbraw/zinc/81/99/67/606819967.db2.gz JELZHQNSAUQECP-AWEZNQCLSA-N -1 1 378.440 1.327 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C=Cc1ccsc1 ZINC000820776461 606820195 /nfs/dbraw/zinc/82/01/95/606820195.db2.gz MDMAFOOWMZSWIL-JDGPPOGSSA-N -1 1 382.453 1.469 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C=Cc1ccsc1 ZINC000820776461 606820196 /nfs/dbraw/zinc/82/01/96/606820196.db2.gz MDMAFOOWMZSWIL-JDGPPOGSSA-N -1 1 382.453 1.469 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc(C(C)(C)C)on1 ZINC000820788521 606821790 /nfs/dbraw/zinc/82/17/90/606821790.db2.gz JFLAFFSDCHULKC-LLVKDONJSA-N -1 1 397.443 1.293 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc(C(C)(C)C)on1 ZINC000820788521 606821793 /nfs/dbraw/zinc/82/17/93/606821793.db2.gz JFLAFFSDCHULKC-LLVKDONJSA-N -1 1 397.443 1.293 20 0 GDADMM CCCCSCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821077568 606823703 /nfs/dbraw/zinc/82/37/03/606823703.db2.gz LXRGGUQHMISEQH-GFCCVEGCSA-N -1 1 376.490 1.227 20 0 GDADMM CCCCSCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821077568 606823705 /nfs/dbraw/zinc/82/37/05/606823705.db2.gz LXRGGUQHMISEQH-GFCCVEGCSA-N -1 1 376.490 1.227 20 0 GDADMM CC[C@@H](CCO)CNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000820902555 606823957 /nfs/dbraw/zinc/82/39/57/606823957.db2.gz MSNBOBHDXDKQTO-JTQLQIEISA-N -1 1 376.486 1.999 20 0 GDADMM Cc1ccc(CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)s1 ZINC000822233798 606824102 /nfs/dbraw/zinc/82/41/02/606824102.db2.gz VGCHEBZMQJOCGD-NSHDSACASA-N -1 1 384.469 1.306 20 0 GDADMM Cc1ccc(CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)s1 ZINC000822233798 606824103 /nfs/dbraw/zinc/82/41/03/606824103.db2.gz VGCHEBZMQJOCGD-NSHDSACASA-N -1 1 384.469 1.306 20 0 GDADMM O=C(Cn1cccc(-c2nn[n-]n2)c1=O)NCCc1cccc(Cl)c1Cl ZINC000823123343 606824679 /nfs/dbraw/zinc/82/46/79/606824679.db2.gz XHDABQBLYKPRTC-UHFFFAOYSA-N -1 1 393.234 1.694 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C=Cc1cccs1 ZINC000820778972 606824987 /nfs/dbraw/zinc/82/49/87/606824987.db2.gz ZMVQRQLQKJODFU-RXNFCKPNSA-N -1 1 382.453 1.469 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C=Cc1cccs1 ZINC000820778972 606824988 /nfs/dbraw/zinc/82/49/88/606824988.db2.gz ZMVQRQLQKJODFU-RXNFCKPNSA-N -1 1 382.453 1.469 20 0 GDADMM Cc1ccc(F)c(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1 ZINC000822239694 606825683 /nfs/dbraw/zinc/82/56/83/606825683.db2.gz ACYGUXUWKGLIRQ-LBPRGKRZSA-N -1 1 382.403 1.455 20 0 GDADMM Cc1ccc(F)c(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1 ZINC000822239694 606825685 /nfs/dbraw/zinc/82/56/85/606825685.db2.gz ACYGUXUWKGLIRQ-LBPRGKRZSA-N -1 1 382.403 1.455 20 0 GDADMM CCc1ccc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cc1 ZINC000821487084 606831351 /nfs/dbraw/zinc/83/13/51/606831351.db2.gz QCHRDHQZIIFWML-CYBMUJFWSA-N -1 1 393.455 1.962 20 0 GDADMM CCc1ccc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cc1 ZINC000821487084 606831353 /nfs/dbraw/zinc/83/13/53/606831353.db2.gz QCHRDHQZIIFWML-CYBMUJFWSA-N -1 1 393.455 1.962 20 0 GDADMM C[C@@H]1CCCC[C@H]1CNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820696745 606832669 /nfs/dbraw/zinc/83/26/69/606832669.db2.gz BTLWTIMNLWXTAY-KFWWJZLASA-N -1 1 399.503 1.703 20 0 GDADMM C[C@@H]1CCCC[C@H]1CNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820696745 606832671 /nfs/dbraw/zinc/83/26/71/606832671.db2.gz BTLWTIMNLWXTAY-KFWWJZLASA-N -1 1 399.503 1.703 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCN(c2ccccc2)CC1 ZINC000823607831 606841421 /nfs/dbraw/zinc/84/14/21/606841421.db2.gz YAZWWIMIHBWBIH-UHFFFAOYSA-N -1 1 388.428 1.517 20 0 GDADMM COc1ccc(-c2cncc(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)c2)cc1 ZINC000821732081 606868060 /nfs/dbraw/zinc/86/80/60/606868060.db2.gz JQYKFVLADNWJTC-UHFFFAOYSA-N -1 1 376.380 1.923 20 0 GDADMM COc1ccc(-c2cncc(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)c2)cc1 ZINC000821732081 606868062 /nfs/dbraw/zinc/86/80/62/606868062.db2.gz JQYKFVLADNWJTC-UHFFFAOYSA-N -1 1 376.380 1.923 20 0 GDADMM CC[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1ccncc1 ZINC000820925061 606891418 /nfs/dbraw/zinc/89/14/18/606891418.db2.gz COZKVCHTWAABQZ-CYBMUJFWSA-N -1 1 380.380 1.970 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OC[C@H](C)CS(C)(=O)=O ZINC000822540676 606898225 /nfs/dbraw/zinc/89/82/25/606898225.db2.gz FFKWIHLSFQCWDI-JTQLQIEISA-N -1 1 393.425 1.396 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OC[C@H](C)CS(C)(=O)=O ZINC000822540676 606898226 /nfs/dbraw/zinc/89/82/26/606898226.db2.gz FFKWIHLSFQCWDI-JTQLQIEISA-N -1 1 393.425 1.396 20 0 GDADMM O=S(=O)(N[C@H]1COc2c1cccc2Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000823572655 606898230 /nfs/dbraw/zinc/89/82/30/606898230.db2.gz KBKXVBQIQUZGCN-LBPRGKRZSA-N -1 1 378.801 1.327 20 0 GDADMM O=S(=O)(N[C@H]1COc2c1cccc2Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000823572655 606898232 /nfs/dbraw/zinc/89/82/32/606898232.db2.gz KBKXVBQIQUZGCN-LBPRGKRZSA-N -1 1 378.801 1.327 20 0 GDADMM CCc1nnc(Sc2nc3nc(C)cc(C)n3n2)c(-c2nn[n-]n2)c1CC ZINC000821547825 606911909 /nfs/dbraw/zinc/91/19/09/606911909.db2.gz CSWJZAOKUUGXQT-UHFFFAOYSA-N -1 1 382.457 1.987 20 0 GDADMM CC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)C(=O)OC(C)(C)C ZINC000821461511 606967897 /nfs/dbraw/zinc/96/78/97/606967897.db2.gz PWRLZBWNBCMACA-SNVBAGLBSA-N -1 1 394.457 1.539 20 0 GDADMM CN(C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1-c1nn[nH]n1 ZINC000821569843 606973090 /nfs/dbraw/zinc/97/30/90/606973090.db2.gz XVYICTPVAUMAJF-GOSISDBHSA-N -1 1 378.436 1.731 20 0 GDADMM CS(=O)(=O)c1n[n-]c(NC(=O)c2nc(C(F)(F)F)n3c2CCCC3)n1 ZINC000530262064 649969250 /nfs/dbraw/zinc/96/92/50/649969250.db2.gz JPBLXSPVCKCGKI-UHFFFAOYSA-N -1 1 378.336 1.012 20 0 GDADMM CS(=O)(=O)c1nnc(NC(=O)c2nc(C(F)(F)F)n3c2CCCC3)[n-]1 ZINC000530262064 649969252 /nfs/dbraw/zinc/96/92/52/649969252.db2.gz JPBLXSPVCKCGKI-UHFFFAOYSA-N -1 1 378.336 1.012 20 0 GDADMM CCCC1(CNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)CCC1 ZINC000821033872 606988696 /nfs/dbraw/zinc/98/86/96/606988696.db2.gz GGAFIULBANAKEA-CQSZACIVSA-N -1 1 399.503 1.847 20 0 GDADMM CCCC1(CNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)CCC1 ZINC000821033872 606988698 /nfs/dbraw/zinc/98/86/98/606988698.db2.gz GGAFIULBANAKEA-CQSZACIVSA-N -1 1 399.503 1.847 20 0 GDADMM C[C@H]1OCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)[C@@H]1C ZINC000820820263 607004903 /nfs/dbraw/zinc/00/49/03/607004903.db2.gz NEVXFHRQXKNZKT-RKDXNWHRSA-N -1 1 391.375 1.683 20 0 GDADMM C[C@@H](CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)c1ccncc1 ZINC000820219198 607019158 /nfs/dbraw/zinc/01/91/58/607019158.db2.gz DHOVSAFSHHJPAN-KBPBESRZSA-N -1 1 393.455 1.283 20 0 GDADMM C[C@@H](CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)c1ccncc1 ZINC000820219198 607019160 /nfs/dbraw/zinc/01/91/60/607019160.db2.gz DHOVSAFSHHJPAN-KBPBESRZSA-N -1 1 393.455 1.283 20 0 GDADMM Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2ncc(-c3nnn[n-]3)s2)no1 ZINC000822207163 607023373 /nfs/dbraw/zinc/02/33/73/607023373.db2.gz MVDXCAOSCZKHQT-ZETCQYMHSA-N -1 1 394.442 1.319 20 0 GDADMM Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2ncc(-c3nn[n-]n3)s2)no1 ZINC000822207163 607023374 /nfs/dbraw/zinc/02/33/74/607023374.db2.gz MVDXCAOSCZKHQT-ZETCQYMHSA-N -1 1 394.442 1.319 20 0 GDADMM O=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822964400 607023999 /nfs/dbraw/zinc/02/39/99/607023999.db2.gz IAJJKFAQUVHRJJ-UHFFFAOYSA-N -1 1 382.409 1.933 20 0 GDADMM O=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822964400 607024001 /nfs/dbraw/zinc/02/40/01/607024001.db2.gz IAJJKFAQUVHRJJ-UHFFFAOYSA-N -1 1 382.409 1.933 20 0 GDADMM O=C(Nc1ccc(N2CCC(O)CC2)c(-c2nn[nH]n2)c1)c1ccccc1[O-] ZINC000823346867 607049759 /nfs/dbraw/zinc/04/97/59/607049759.db2.gz RSNBTESLZCTGQD-UHFFFAOYSA-N -1 1 380.408 1.786 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCO[C@H](C)[C@H]1C ZINC000822459878 607067735 /nfs/dbraw/zinc/06/77/35/607067735.db2.gz ZVZCQKDGIODUQQ-DGCLKSJQSA-N -1 1 384.444 1.095 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCO[C@H](C)[C@H]1C ZINC000822459878 607067737 /nfs/dbraw/zinc/06/77/37/607067737.db2.gz ZVZCQKDGIODUQQ-DGCLKSJQSA-N -1 1 384.444 1.095 20 0 GDADMM CCOC(=O)[C@@]1(CCOC(=O)c2ccc(-c3nnn[n-]3)s2)CCCC1=O ZINC000821321117 607113111 /nfs/dbraw/zinc/11/31/11/607113111.db2.gz TXDZFNCVVFGZFP-MRXNPFEDSA-N -1 1 378.410 1.778 20 0 GDADMM CCOC(=O)[C@@]1(CCOC(=O)c2ccc(-c3nn[n-]n3)s2)CCCC1=O ZINC000821321117 607113112 /nfs/dbraw/zinc/11/31/12/607113112.db2.gz TXDZFNCVVFGZFP-MRXNPFEDSA-N -1 1 378.410 1.778 20 0 GDADMM CCOc1ccc(NC(=O)CCn2nc(C)c(C)c(-c3nn[n-]n3)c2=O)cc1 ZINC000821421873 607161043 /nfs/dbraw/zinc/16/10/43/607161043.db2.gz HLELPJAZSNWCHD-UHFFFAOYSA-N -1 1 383.412 1.468 20 0 GDADMM OC[C@@H](CNc1nccnc1-c1nnn[n-]1)Cc1ccccc1C(F)(F)F ZINC000823706850 607176954 /nfs/dbraw/zinc/17/69/54/607176954.db2.gz PYJCRGXXYZNMPO-SNVBAGLBSA-N -1 1 379.346 1.939 20 0 GDADMM OC[C@@H](CNc1nccnc1-c1nn[n-]n1)Cc1ccccc1C(F)(F)F ZINC000823706850 607176955 /nfs/dbraw/zinc/17/69/55/607176955.db2.gz PYJCRGXXYZNMPO-SNVBAGLBSA-N -1 1 379.346 1.939 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@H]1CC[C@@H](CO)CC1 ZINC000822459792 607186145 /nfs/dbraw/zinc/18/61/45/607186145.db2.gz WTNNNNYFENIZJS-OKILXGFUSA-N -1 1 398.471 1.126 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@H]1CC[C@@H](CO)CC1 ZINC000822459792 607186146 /nfs/dbraw/zinc/18/61/46/607186146.db2.gz WTNNNNYFENIZJS-OKILXGFUSA-N -1 1 398.471 1.126 20 0 GDADMM CCC(C)(C)NC(=O)c1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000820847342 607208777 /nfs/dbraw/zinc/20/87/77/607208777.db2.gz AXTBJGCMEQRSIP-UHFFFAOYSA-N -1 1 383.416 1.015 20 0 GDADMM C[C@@H](COc1ccc(C(C)(C)C)cc1)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820287886 607209242 /nfs/dbraw/zinc/20/92/42/607209242.db2.gz RUSDFIIECMLPEU-LBPRGKRZSA-N -1 1 384.444 1.339 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1CCc2c1cccc2Br ZINC000823126969 607213927 /nfs/dbraw/zinc/21/39/27/607213927.db2.gz PAGXADOBYQZCFD-NSHDSACASA-N -1 1 389.217 1.024 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N(Cc1ccccc1F)C1CCCCC1 ZINC000823123422 607214816 /nfs/dbraw/zinc/21/48/16/607214816.db2.gz YZANNNAIXIHYRA-UHFFFAOYSA-N -1 1 384.419 1.959 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000823127060 607215584 /nfs/dbraw/zinc/21/55/84/607215584.db2.gz RNSYSJVEBWJBND-HNNXBMFYSA-N -1 1 377.412 1.693 20 0 GDADMM COc1ccccc1-c1cccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000821877073 607216082 /nfs/dbraw/zinc/21/60/82/607216082.db2.gz AFJFTAVSAPZUAE-UHFFFAOYSA-N -1 1 376.380 1.773 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000823122629 607216332 /nfs/dbraw/zinc/21/63/32/607216332.db2.gz FSSANPBNMCCLMR-UHFFFAOYSA-N -1 1 395.402 1.485 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000823126008 607219104 /nfs/dbraw/zinc/21/91/04/607219104.db2.gz FDMQZKVBHHBVNZ-SNVBAGLBSA-N -1 1 386.725 1.531 20 0 GDADMM CCOc1ccccc1[C@H](CC(C)C)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821431405 607220757 /nfs/dbraw/zinc/22/07/57/607220757.db2.gz SXPHAMAEVFTUOM-AWEZNQCLSA-N -1 1 384.444 1.761 20 0 GDADMM CCOc1ccccc1[C@@H](CC(C)C)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821431406 607220814 /nfs/dbraw/zinc/22/08/14/607220814.db2.gz SXPHAMAEVFTUOM-CQSZACIVSA-N -1 1 384.444 1.761 20 0 GDADMM C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1cccc(OC(F)(F)F)c1 ZINC000820333642 607221996 /nfs/dbraw/zinc/22/19/96/607221996.db2.gz FLUQIKMRBLYFNL-MRVPVSSYSA-N -1 1 382.306 1.234 20 0 GDADMM C[C@@H]1CCN(C)c2ccccc2N1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820723133 607229824 /nfs/dbraw/zinc/22/98/24/607229824.db2.gz WOVUICYUFUROOM-GFCCVEGCSA-N -1 1 385.453 1.685 20 0 GDADMM C[C@@H]1CCN(C)c2ccccc2N1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820723133 607229825 /nfs/dbraw/zinc/22/98/25/607229825.db2.gz WOVUICYUFUROOM-GFCCVEGCSA-N -1 1 385.453 1.685 20 0 GDADMM COc1cccc2c1CCCCN2S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826217865 607818462 /nfs/dbraw/zinc/81/84/62/607818462.db2.gz FZMYZSXXLPQFSS-UHFFFAOYSA-N -1 1 386.437 1.802 20 0 GDADMM COc1cccc2c1CCCCN2S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826217865 607818463 /nfs/dbraw/zinc/81/84/63/607818463.db2.gz FZMYZSXXLPQFSS-UHFFFAOYSA-N -1 1 386.437 1.802 20 0 GDADMM CCN(CCc1nccs1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825429115 607818605 /nfs/dbraw/zinc/81/86/05/607818605.db2.gz WYOHGUONRUXMHT-UHFFFAOYSA-N -1 1 382.446 1.716 20 0 GDADMM CCN(CCc1nccs1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825429115 607818606 /nfs/dbraw/zinc/81/86/06/607818606.db2.gz WYOHGUONRUXMHT-UHFFFAOYSA-N -1 1 382.446 1.716 20 0 GDADMM Nc1n[nH]c(CCCNC(=O)Nc2cccc(-c3ncco3)c2)c1-c1nnn[n-]1 ZINC000826396160 607836124 /nfs/dbraw/zinc/83/61/24/607836124.db2.gz KHQHBLYQAIOACO-UHFFFAOYSA-N -1 1 394.399 1.581 20 0 GDADMM Nc1n[nH]c(CCCNC(=O)Nc2cccc(-c3ncco3)c2)c1-c1nn[n-]n1 ZINC000826396160 607836125 /nfs/dbraw/zinc/83/61/25/607836125.db2.gz KHQHBLYQAIOACO-UHFFFAOYSA-N -1 1 394.399 1.581 20 0 GDADMM COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826177701 607879870 /nfs/dbraw/zinc/87/98/70/607879870.db2.gz RHLMHJSNIVVBTG-UHFFFAOYSA-N -1 1 393.356 1.513 20 0 GDADMM O=C([O-])C[NH+]1CCC([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC1 ZINC000530383241 649972306 /nfs/dbraw/zinc/97/23/06/649972306.db2.gz PULQUZLKTZCPDK-UHFFFAOYSA-N -1 1 385.244 1.960 20 0 GDADMM CCOc1ccc(Nc2cccc(-c3nnn[n-]3)n2)cc1S(=O)(=O)N(C)C ZINC000825643254 607895396 /nfs/dbraw/zinc/89/53/96/607895396.db2.gz JQCNPZSFDTUHOU-UHFFFAOYSA-N -1 1 389.441 1.654 20 0 GDADMM CCOc1ccc(Nc2cccc(-c3nn[n-]n3)n2)cc1S(=O)(=O)N(C)C ZINC000825643254 607895397 /nfs/dbraw/zinc/89/53/97/607895397.db2.gz JQCNPZSFDTUHOU-UHFFFAOYSA-N -1 1 389.441 1.654 20 0 GDADMM CC(=O)N1CCN(c2ccccc2CNc2cccc(-c3nnn[n-]3)n2)CC1 ZINC000823981977 607897655 /nfs/dbraw/zinc/89/76/55/607897655.db2.gz VEDMGJJPXWJTGL-UHFFFAOYSA-N -1 1 378.440 1.542 20 0 GDADMM CC(=O)N1CCN(c2ccccc2CNc2cccc(-c3nn[n-]n3)n2)CC1 ZINC000823981977 607897656 /nfs/dbraw/zinc/89/76/56/607897656.db2.gz VEDMGJJPXWJTGL-UHFFFAOYSA-N -1 1 378.440 1.542 20 0 GDADMM CC(C)Cc1nc(-c2nn[n-]n2)c(NNC(=S)NC[C@H]2CCCCO2)o1 ZINC000824279989 607967290 /nfs/dbraw/zinc/96/72/90/607967290.db2.gz AIACTQDDJJRNNR-SNVBAGLBSA-N -1 1 380.478 1.413 20 0 GDADMM CC(C)c1ccc([C@@H]2CCCN2c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1 ZINC000824347705 607968583 /nfs/dbraw/zinc/96/85/83/607968583.db2.gz LAJPBTJRSHBEQR-HNNXBMFYSA-N -1 1 395.467 1.729 20 0 GDADMM Cc1cnc(=S)n(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1 ZINC000826317083 607971273 /nfs/dbraw/zinc/97/12/73/607971273.db2.gz MBSGTKLRSHALEH-LBPRGKRZSA-N -1 1 384.473 1.059 20 0 GDADMM Cc1cnc(=S)n(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1 ZINC000826317083 607971274 /nfs/dbraw/zinc/97/12/74/607971274.db2.gz MBSGTKLRSHALEH-LBPRGKRZSA-N -1 1 384.473 1.059 20 0 GDADMM O=S(=O)(N[C@@H]1c2ccccc2C[C@H]1O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826489707 607971507 /nfs/dbraw/zinc/97/15/07/607971507.db2.gz XOQQOURVAIVZLQ-IUODEOHRSA-N -1 1 391.840 1.457 20 0 GDADMM O=S(=O)(N[C@@H]1c2ccccc2C[C@H]1O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826489707 607971508 /nfs/dbraw/zinc/97/15/08/607971508.db2.gz XOQQOURVAIVZLQ-IUODEOHRSA-N -1 1 391.840 1.457 20 0 GDADMM Cc1oc(NC(=O)COC(=O)CCc2cnn(C)c2C)c(-c2nn[n-]n2)c1C ZINC000826342693 607977637 /nfs/dbraw/zinc/97/76/37/607977637.db2.gz WIBNPGFGVDDEKG-UHFFFAOYSA-N -1 1 387.400 1.233 20 0 GDADMM CCc1ccc(S(C)(=O)=O)cc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000825717433 607981116 /nfs/dbraw/zinc/98/11/16/607981116.db2.gz KVPAKZQPHKPQFN-UHFFFAOYSA-N -1 1 387.421 1.585 20 0 GDADMM CCc1ccc(S(C)(=O)=O)cc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000825717433 607981117 /nfs/dbraw/zinc/98/11/17/607981117.db2.gz KVPAKZQPHKPQFN-UHFFFAOYSA-N -1 1 387.421 1.585 20 0 GDADMM O=C(Cc1ccccc1)N1CCC[C@@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826450850 607998181 /nfs/dbraw/zinc/99/81/81/607998181.db2.gz GNVZWFFLPSUZIO-MRXNPFEDSA-N -1 1 392.419 1.745 20 0 GDADMM Cc1ccc(-c2nnn(CC(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])n2)cc1 ZINC000826273363 607998794 /nfs/dbraw/zinc/99/87/94/607998794.db2.gz ALEFXNQFQBIKBR-UHFFFAOYSA-N -1 1 377.368 1.173 20 0 GDADMM COC(=O)[C@@H]1CCCC[C@@]1(C)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826134588 608000783 /nfs/dbraw/zinc/00/07/83/608000783.db2.gz YYWSPBJUIAFATE-MGPLVRAMSA-N -1 1 397.432 1.406 20 0 GDADMM COC(=O)[C@@H]1CCCC[C@@]1(C)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826134588 608000784 /nfs/dbraw/zinc/00/07/84/608000784.db2.gz YYWSPBJUIAFATE-MGPLVRAMSA-N -1 1 397.432 1.406 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)n1 ZINC000826356964 608073346 /nfs/dbraw/zinc/07/33/46/608073346.db2.gz MHDCCNZWNYFSBS-LBPRGKRZSA-N -1 1 399.390 1.056 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)n1 ZINC000826356964 608073347 /nfs/dbraw/zinc/07/33/47/608073347.db2.gz MHDCCNZWNYFSBS-LBPRGKRZSA-N -1 1 399.390 1.056 20 0 GDADMM COc1ccc([C@@](C)(O)[C@@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000826188054 608087649 /nfs/dbraw/zinc/08/76/49/608087649.db2.gz MHVLNWOLJAUWSN-FXAWDEMLSA-N -1 1 394.435 1.783 20 0 GDADMM COc1ccc([C@@](C)(O)[C@@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000826188054 608087650 /nfs/dbraw/zinc/08/76/50/608087650.db2.gz MHVLNWOLJAUWSN-FXAWDEMLSA-N -1 1 394.435 1.783 20 0 GDADMM Cc1cc(C(F)(F)F)c(-c2nn[n-]n2)c(SCN(C)S(C)(=O)=O)n1 ZINC000826262316 608091384 /nfs/dbraw/zinc/09/13/84/608091384.db2.gz LQJPQGVXZVEDLK-UHFFFAOYSA-N -1 1 382.393 1.530 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2CCCN(c3ccccc3F)C2)n1 ZINC000826357258 608106666 /nfs/dbraw/zinc/10/66/66/608106666.db2.gz XVPCMUURFMPFRA-NSHDSACASA-N -1 1 385.407 1.530 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2CCCN(c3ccccc3F)C2)n1 ZINC000826357258 608106667 /nfs/dbraw/zinc/10/66/67/608106667.db2.gz XVPCMUURFMPFRA-NSHDSACASA-N -1 1 385.407 1.530 20 0 GDADMM C[C@@H](CN(C)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1nccs1 ZINC000824414310 608127128 /nfs/dbraw/zinc/12/71/28/608127128.db2.gz ZFJPAVFITXPZIF-VIFPVBQESA-N -1 1 382.446 1.887 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC[C@H]1CCO[C@@H](C)C1 ZINC000826328623 608166866 /nfs/dbraw/zinc/16/68/66/608166866.db2.gz XTWICWBHWSEIJM-FZMZJTMJSA-N -1 1 398.471 1.390 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC[C@H]1CCO[C@@H](C)C1 ZINC000826328623 608166867 /nfs/dbraw/zinc/16/68/67/608166867.db2.gz XTWICWBHWSEIJM-FZMZJTMJSA-N -1 1 398.471 1.390 20 0 GDADMM Cc1oc(NC(=O)CN2CC(=O)N(Cc3ccccc3)C2)c(-c2nn[n-]n2)c1C ZINC000826341470 608168253 /nfs/dbraw/zinc/16/82/53/608168253.db2.gz IFUAMKZSMOKPNU-UHFFFAOYSA-N -1 1 395.423 1.317 20 0 GDADMM CCCC(O)(CCC)CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825242687 608211090 /nfs/dbraw/zinc/21/10/90/608211090.db2.gz YIZVRRRYZOUZCS-UHFFFAOYSA-N -1 1 378.481 1.284 20 0 GDADMM CCCC(O)(CCC)CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825242687 608211091 /nfs/dbraw/zinc/21/10/91/608211091.db2.gz YIZVRRRYZOUZCS-UHFFFAOYSA-N -1 1 378.481 1.284 20 0 GDADMM CC[C@H](Oc1ccccc1C)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825159190 608211096 /nfs/dbraw/zinc/21/10/96/608211096.db2.gz LBQRYQHHXXVTSQ-AWEZNQCLSA-N -1 1 398.471 1.729 20 0 GDADMM CC[C@H](Oc1ccccc1C)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825159190 608211097 /nfs/dbraw/zinc/21/10/97/608211097.db2.gz LBQRYQHHXXVTSQ-AWEZNQCLSA-N -1 1 398.471 1.729 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C[C@H]1OCCc2ccccc21 ZINC000825923807 608211534 /nfs/dbraw/zinc/21/15/34/608211534.db2.gz WPYDZDGETAQKGQ-OAHLLOKOSA-N -1 1 396.455 1.267 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C[C@H]1OCCc2ccccc21 ZINC000825923807 608211536 /nfs/dbraw/zinc/21/15/36/608211536.db2.gz WPYDZDGETAQKGQ-OAHLLOKOSA-N -1 1 396.455 1.267 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C1(c2cccc(F)c2)CC1 ZINC000825923756 608211694 /nfs/dbraw/zinc/21/16/94/608211694.db2.gz UKRJSYWMXGTWGK-UHFFFAOYSA-N -1 1 384.419 1.434 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C1(c2cccc(F)c2)CC1 ZINC000825923756 608211695 /nfs/dbraw/zinc/21/16/95/608211695.db2.gz UKRJSYWMXGTWGK-UHFFFAOYSA-N -1 1 384.419 1.434 20 0 GDADMM CC(C)Nc1ncccc1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824305942 608212340 /nfs/dbraw/zinc/21/23/40/608212340.db2.gz XUQVNYXIBGAOKW-UHFFFAOYSA-N -1 1 384.448 1.092 20 0 GDADMM CC(C)Nc1ncccc1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824305942 608212341 /nfs/dbraw/zinc/21/23/41/608212341.db2.gz XUQVNYXIBGAOKW-UHFFFAOYSA-N -1 1 384.448 1.092 20 0 GDADMM CC(C)N(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824288430 608240675 /nfs/dbraw/zinc/24/06/75/608240675.db2.gz FYNVFAHEAPXXJQ-UHFFFAOYSA-N -1 1 382.446 1.003 20 0 GDADMM CC(C)N(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824288430 608240676 /nfs/dbraw/zinc/24/06/76/608240676.db2.gz FYNVFAHEAPXXJQ-UHFFFAOYSA-N -1 1 382.446 1.003 20 0 GDADMM NC(=O)c1cc(Oc2cccc(Oc3nccnc3-c3nn[n-]n3)c2)ccn1 ZINC000826392939 608305783 /nfs/dbraw/zinc/30/57/83/608305783.db2.gz UOMDVMSKPIRCDZ-UHFFFAOYSA-N -1 1 376.336 1.735 20 0 GDADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826223708 608336583 /nfs/dbraw/zinc/33/65/83/608336583.db2.gz WWOOBBQWXDNBAA-UHFFFAOYSA-N -1 1 376.373 1.630 20 0 GDADMM COC[C@@H]([N-]S(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F)c1ccco1 ZINC000826150432 608337887 /nfs/dbraw/zinc/33/78/87/608337887.db2.gz DQTPGFGRCAPONV-CYBMUJFWSA-N -1 1 381.389 1.406 20 0 GDADMM Cn1[nH]cnc1=NC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000826366941 608339809 /nfs/dbraw/zinc/33/98/09/608339809.db2.gz DWFYXEUOUUYYCV-UHFFFAOYSA-N -1 1 381.425 1.467 20 0 GDADMM CC[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825193108 608340217 /nfs/dbraw/zinc/34/02/17/608340217.db2.gz KIHOFVCZXADABA-WCQYABFASA-N -1 1 388.476 1.842 20 0 GDADMM CC[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825193108 608340219 /nfs/dbraw/zinc/34/02/19/608340219.db2.gz KIHOFVCZXADABA-WCQYABFASA-N -1 1 388.476 1.842 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N[C@H]2C[C@@H]2c2ccccc2)n1 ZINC000824142895 608350907 /nfs/dbraw/zinc/35/09/07/608350907.db2.gz ZKISMPQBWPWOFE-OCCSQVGLSA-N -1 1 394.439 1.429 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N[C@H]2C[C@@H]2c2ccccc2)n1 ZINC000824142895 608350909 /nfs/dbraw/zinc/35/09/09/608350909.db2.gz ZKISMPQBWPWOFE-OCCSQVGLSA-N -1 1 394.439 1.429 20 0 GDADMM CC(C)C[C@@H]1CCCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824244002 608351110 /nfs/dbraw/zinc/35/11/10/608351110.db2.gz OXDQWTMKJOZHSP-LBPRGKRZSA-N -1 1 388.476 1.794 20 0 GDADMM CC(C)C[C@@H]1CCCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824244002 608351113 /nfs/dbraw/zinc/35/11/13/608351113.db2.gz OXDQWTMKJOZHSP-LBPRGKRZSA-N -1 1 388.476 1.794 20 0 GDADMM CC(C)C[C@H]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000824244817 608353968 /nfs/dbraw/zinc/35/39/68/608353968.db2.gz UMTXSPRTMMNASC-GFCCVEGCSA-N -1 1 388.476 1.651 20 0 GDADMM CC(C)C[C@H]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000824244817 608353970 /nfs/dbraw/zinc/35/39/70/608353970.db2.gz UMTXSPRTMMNASC-GFCCVEGCSA-N -1 1 388.476 1.651 20 0 GDADMM C[C@@H]1CCC[C@@H](C)N(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000824929997 608354896 /nfs/dbraw/zinc/35/48/96/608354896.db2.gz ZCSYKYJJZIVSRY-VXGBXAGGSA-N -1 1 388.476 1.794 20 0 GDADMM C[C@@H]1CCC[C@@H](C)N(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000824929997 608354898 /nfs/dbraw/zinc/35/48/98/608354898.db2.gz ZCSYKYJJZIVSRY-VXGBXAGGSA-N -1 1 388.476 1.794 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N[C@@H]2CCCCC2(C)C)n1 ZINC000824802438 608356026 /nfs/dbraw/zinc/35/60/26/608356026.db2.gz MYSXUMUDJGCCKD-GFCCVEGCSA-N -1 1 388.476 1.842 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N[C@@H]2CCCCC2(C)C)n1 ZINC000824802438 608356028 /nfs/dbraw/zinc/35/60/28/608356028.db2.gz MYSXUMUDJGCCKD-GFCCVEGCSA-N -1 1 388.476 1.842 20 0 GDADMM C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000825012043 608419583 /nfs/dbraw/zinc/41/95/83/608419583.db2.gz CSKXBOFXDPVJQO-ZYHUDNBSSA-N -1 1 390.448 1.829 20 0 GDADMM C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000825012043 608419585 /nfs/dbraw/zinc/41/95/85/608419585.db2.gz CSKXBOFXDPVJQO-ZYHUDNBSSA-N -1 1 390.448 1.829 20 0 GDADMM Cc1ccccc1O[C@H](C)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826307303 608421495 /nfs/dbraw/zinc/42/14/95/608421495.db2.gz BWHQVJDYCPTWEI-CQSZACIVSA-N -1 1 394.439 1.081 20 0 GDADMM Cc1ccccc1O[C@H](C)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826307303 608421496 /nfs/dbraw/zinc/42/14/96/608421496.db2.gz BWHQVJDYCPTWEI-CQSZACIVSA-N -1 1 394.439 1.081 20 0 GDADMM CN(C(=O)c1ccncc1)c1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000825834213 608421888 /nfs/dbraw/zinc/42/18/88/608421888.db2.gz SACCBFWTUUQTNN-UHFFFAOYSA-N -1 1 387.407 1.940 20 0 GDADMM CN(C(=O)c1ccncc1)c1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000825834213 608421890 /nfs/dbraw/zinc/42/18/90/608421890.db2.gz SACCBFWTUUQTNN-UHFFFAOYSA-N -1 1 387.407 1.940 20 0 GDADMM O=C(c1ccc2c(c1)OCO2)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC000826473859 608513977 /nfs/dbraw/zinc/51/39/77/608513977.db2.gz RGCJFWYUVBSEDI-UHFFFAOYSA-N -1 1 398.448 1.615 20 0 GDADMM c1coc(-c2nc(-c3nn[n-]n3)c(N3CCN(Cc4cncnc4)CC3)o2)c1 ZINC000826525974 608549029 /nfs/dbraw/zinc/54/90/29/608549029.db2.gz GPFDGIULKNIQBT-UHFFFAOYSA-N -1 1 379.384 1.227 20 0 GDADMM CCOCCC1(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CCC1 ZINC000825590045 608556112 /nfs/dbraw/zinc/55/61/12/608556112.db2.gz NQBABBBHAMSJJI-UHFFFAOYSA-N -1 1 376.465 1.160 20 0 GDADMM CCOCCC1(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CCC1 ZINC000825590045 608556114 /nfs/dbraw/zinc/55/61/14/608556114.db2.gz NQBABBBHAMSJJI-UHFFFAOYSA-N -1 1 376.465 1.160 20 0 GDADMM C[C@@H](COc1ccccc1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824448628 608557244 /nfs/dbraw/zinc/55/72/44/608557244.db2.gz JCENLSNZBJDKRH-LBPRGKRZSA-N -1 1 384.444 1.278 20 0 GDADMM C[C@@H](COc1ccccc1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824448628 608557245 /nfs/dbraw/zinc/55/72/45/608557245.db2.gz JCENLSNZBJDKRH-LBPRGKRZSA-N -1 1 384.444 1.278 20 0 GDADMM CC(C)Cc1nc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cs1 ZINC000824280388 608558764 /nfs/dbraw/zinc/55/87/64/608558764.db2.gz LQSWVENOBRQGSR-UHFFFAOYSA-N -1 1 389.489 1.532 20 0 GDADMM CC(C)Cc1nc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cs1 ZINC000824280388 608558765 /nfs/dbraw/zinc/55/87/65/608558765.db2.gz LQSWVENOBRQGSR-UHFFFAOYSA-N -1 1 389.489 1.532 20 0 GDADMM COC1CCC(CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CC1 ZINC000826144832 608558865 /nfs/dbraw/zinc/55/88/65/608558865.db2.gz TULVMDQLWRBZNP-UHFFFAOYSA-N -1 1 376.465 1.158 20 0 GDADMM COC1CCC(CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CC1 ZINC000826144832 608558866 /nfs/dbraw/zinc/55/88/66/608558866.db2.gz TULVMDQLWRBZNP-UHFFFAOYSA-N -1 1 376.465 1.158 20 0 GDADMM Cc1[nH]c2ccccc2c1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826233415 608561208 /nfs/dbraw/zinc/56/12/08/608561208.db2.gz GHXQUYZJXAHVHN-UHFFFAOYSA-N -1 1 379.428 1.667 20 0 GDADMM Cc1[nH]c2ccccc2c1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826233415 608561209 /nfs/dbraw/zinc/56/12/09/608561209.db2.gz GHXQUYZJXAHVHN-UHFFFAOYSA-N -1 1 379.428 1.667 20 0 GDADMM COCc1ccc(CN2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)o1 ZINC000826164773 608590056 /nfs/dbraw/zinc/59/00/56/608590056.db2.gz PQCYZBPTKHDWBN-UHFFFAOYSA-N -1 1 385.428 1.794 20 0 GDADMM OC[C@H](c1ccc(Cl)cc1)N1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000826508328 608695250 /nfs/dbraw/zinc/69/52/50/608695250.db2.gz MMNIWSJJOFMRLW-MRXNPFEDSA-N -1 1 388.859 1.964 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1nn(C)c2ccccc12 ZINC000825000795 608839648 /nfs/dbraw/zinc/83/96/48/608839648.db2.gz VCFNTRCVRXUPAZ-ZDUSSCGKSA-N -1 1 390.455 1.254 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1nn(C)c2ccccc12 ZINC000825000795 608839651 /nfs/dbraw/zinc/83/96/51/608839651.db2.gz VCFNTRCVRXUPAZ-ZDUSSCGKSA-N -1 1 390.455 1.254 20 0 GDADMM COc1ccc([C@@H]2CCCN2C(=O)Cn2ccnc2-c2nnn[n-]2)c(OC)c1 ZINC000826190219 608892609 /nfs/dbraw/zinc/89/26/09/608892609.db2.gz ULYANFFTTUSPRH-AWEZNQCLSA-N -1 1 383.412 1.444 20 0 GDADMM COc1ccc([C@@H]2CCCN2C(=O)Cn2ccnc2-c2nn[n-]n2)c(OC)c1 ZINC000826190219 608892613 /nfs/dbraw/zinc/89/26/13/608892613.db2.gz ULYANFFTTUSPRH-AWEZNQCLSA-N -1 1 383.412 1.444 20 0 GDADMM COCCOc1cc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)ccn1 ZINC000826161272 609233910 /nfs/dbraw/zinc/23/39/10/609233910.db2.gz ZVUILVPLUXUMBG-UHFFFAOYSA-N -1 1 386.416 1.491 20 0 GDADMM COCCOc1cc(C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)ccn1 ZINC000826161272 609233913 /nfs/dbraw/zinc/23/39/13/609233913.db2.gz ZVUILVPLUXUMBG-UHFFFAOYSA-N -1 1 386.416 1.491 20 0 GDADMM CC(=O)c1ccc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c(F)c1 ZINC000824019550 609260683 /nfs/dbraw/zinc/26/06/83/609260683.db2.gz GFVPZUAEETVNMJ-UHFFFAOYSA-N -1 1 386.391 1.219 20 0 GDADMM CC(=O)c1ccc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c(F)c1 ZINC000824019550 609260684 /nfs/dbraw/zinc/26/06/84/609260684.db2.gz GFVPZUAEETVNMJ-UHFFFAOYSA-N -1 1 386.391 1.219 20 0 GDADMM Cc1cc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)nn1[C@H](C)C1CC1 ZINC000826257303 609261861 /nfs/dbraw/zinc/26/18/61/609261861.db2.gz WPJSCHXQYNWJKY-LLVKDONJSA-N -1 1 398.475 1.353 20 0 GDADMM Cc1cc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)nn1[C@H](C)C1CC1 ZINC000826257303 609261862 /nfs/dbraw/zinc/26/18/62/609261862.db2.gz WPJSCHXQYNWJKY-LLVKDONJSA-N -1 1 398.475 1.353 20 0 GDADMM Cc1cc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cnc1N1CCCC[C@@H]1C ZINC000826270408 609264344 /nfs/dbraw/zinc/26/43/44/609264344.db2.gz ZAOTYRHVFMXAAG-LBPRGKRZSA-N -1 1 382.432 1.179 20 0 GDADMM CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825194228 609300238 /nfs/dbraw/zinc/30/02/38/609300238.db2.gz POJJYLGZMFUPPL-NEPJUHHUSA-N -1 1 375.481 1.715 20 0 GDADMM CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825194228 609300241 /nfs/dbraw/zinc/30/02/41/609300241.db2.gz POJJYLGZMFUPPL-NEPJUHHUSA-N -1 1 375.481 1.715 20 0 GDADMM C[C@H](COc1ccccc1)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824450698 609300408 /nfs/dbraw/zinc/30/04/08/609300408.db2.gz YHBXLQOVFAMDIU-GFCCVEGCSA-N -1 1 399.459 1.214 20 0 GDADMM C[C@H](COc1ccccc1)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824450698 609300411 /nfs/dbraw/zinc/30/04/11/609300411.db2.gz YHBXLQOVFAMDIU-GFCCVEGCSA-N -1 1 399.459 1.214 20 0 GDADMM C[C@H]1Cc2ccccc2[C@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825015115 609302175 /nfs/dbraw/zinc/30/21/75/609302175.db2.gz ZVZFRCKYHNALAH-ZBEGNZNMSA-N -1 1 395.471 1.680 20 0 GDADMM C[C@H]1Cc2ccccc2[C@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825015115 609302178 /nfs/dbraw/zinc/30/21/78/609302178.db2.gz ZVZFRCKYHNALAH-ZBEGNZNMSA-N -1 1 395.471 1.680 20 0 GDADMM CS[C@H]1CCC[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1 ZINC000826227114 609302728 /nfs/dbraw/zinc/30/27/28/609302728.db2.gz LYQJMCFXKHHSCF-MNOVXSKESA-N -1 1 393.521 1.420 20 0 GDADMM CS[C@H]1CCC[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C1 ZINC000826227114 609302730 /nfs/dbraw/zinc/30/27/30/609302730.db2.gz LYQJMCFXKHHSCF-MNOVXSKESA-N -1 1 393.521 1.420 20 0 GDADMM CNC(=O)C1(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CCC1 ZINC000826050664 609311838 /nfs/dbraw/zinc/31/18/38/609311838.db2.gz ALPSANJWYREGRF-UHFFFAOYSA-N -1 1 384.375 1.046 20 0 GDADMM O=S(=O)([N-]c1ncccc1F)c1cc(Br)cc(-c2nn[nH]n2)c1 ZINC000826493391 609342515 /nfs/dbraw/zinc/34/25/15/609342515.db2.gz IGVWTBBYGOYSQC-UHFFFAOYSA-N -1 1 399.205 1.964 20 0 GDADMM C[C@@H](C1CC1)N(C)C(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824377559 609352968 /nfs/dbraw/zinc/35/29/68/609352968.db2.gz HBMASDLZKREBMG-JTQLQIEISA-N -1 1 398.402 1.387 20 0 GDADMM CC(C)C[C@H](O)CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824237927 609355855 /nfs/dbraw/zinc/35/58/55/609355855.db2.gz WXJSHQCAOFEUGD-NSHDSACASA-N -1 1 388.407 1.720 20 0 GDADMM CCN(CC(C)(C)O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825399224 609363554 /nfs/dbraw/zinc/36/35/54/609363554.db2.gz MSTMGRBWOFQOIF-UHFFFAOYSA-N -1 1 388.407 1.816 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N(C)C[C@@H]2CCCC[C@H]2O)cc1-c1nn[n-]n1 ZINC000826229772 609404889 /nfs/dbraw/zinc/40/48/89/609404889.db2.gz QUFJYQRQSBRIHM-JOYOIKCWSA-N -1 1 378.458 1.312 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@H](CO)c2cccc(F)c2)cc1-c1nn[n-]n1 ZINC000826229767 609406161 /nfs/dbraw/zinc/40/61/61/609406161.db2.gz QSZMLYZINBDQDU-GFCCVEGCSA-N -1 1 390.400 1.292 20 0 GDADMM CCc1cnccc1CNS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825740321 609448035 /nfs/dbraw/zinc/44/80/35/609448035.db2.gz ROMBVZHHAOCGJI-UHFFFAOYSA-N -1 1 378.845 1.956 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)O[C@H]2CCCN(C)C2=O)c1-c1nnn[n-]1 ZINC000826231627 609462478 /nfs/dbraw/zinc/46/24/78/609462478.db2.gz SOYMPHBMOBWRRC-LBPRGKRZSA-N -1 1 388.453 1.639 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)O[C@H]2CCCN(C)C2=O)c1-c1nn[n-]n1 ZINC000826231627 609462481 /nfs/dbraw/zinc/46/24/81/609462481.db2.gz SOYMPHBMOBWRRC-LBPRGKRZSA-N -1 1 388.453 1.639 20 0 GDADMM Cc1onc(CC(=O)NCc2ccccc2-c2cnn(C)c2)c1-c1nnn[n-]1 ZINC000826347848 609467549 /nfs/dbraw/zinc/46/75/49/609467549.db2.gz IYFZLVHJOHQPLQ-UHFFFAOYSA-N -1 1 378.396 1.423 20 0 GDADMM Cc1onc(CC(=O)NCc2ccccc2-c2cnn(C)c2)c1-c1nn[n-]n1 ZINC000826347848 609467550 /nfs/dbraw/zinc/46/75/50/609467550.db2.gz IYFZLVHJOHQPLQ-UHFFFAOYSA-N -1 1 378.396 1.423 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC([C@@H]2CCOC2)CC1 ZINC000826496208 609612035 /nfs/dbraw/zinc/61/20/35/609612035.db2.gz OLQJHLLGRJXSBV-GFCCVEGCSA-N -1 1 381.433 1.443 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC([C@@H]2CCOC2)CC1 ZINC000826496208 609612036 /nfs/dbraw/zinc/61/20/36/609612036.db2.gz OLQJHLLGRJXSBV-GFCCVEGCSA-N -1 1 381.433 1.443 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@H](C)[C@@H]1CCCOC1 ZINC000826328453 609623093 /nfs/dbraw/zinc/62/30/93/609623093.db2.gz RMBAKRXNYNCCRT-BXUZGUMPSA-N -1 1 398.471 1.390 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@H](C)[C@@H]1CCCOC1 ZINC000826328453 609623095 /nfs/dbraw/zinc/62/30/95/609623095.db2.gz RMBAKRXNYNCCRT-BXUZGUMPSA-N -1 1 398.471 1.390 20 0 GDADMM COC(=O)c1nscc1S(=O)(=O)[N-]C1(C(N)=O)CCC(C)(C)CC1 ZINC000534629563 650226740 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SPIDYUQNIWPDOC-HSZRJFAPSA-N -1 1 382.389 1.801 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-]C[C@H]2CC(=O)N(C)C2)c1F ZINC000914404504 660147134 /nfs/dbraw/zinc/14/71/34/660147134.db2.gz YSODANVMCPEYMR-MRVPVSSYSA-N -1 1 395.250 1.353 20 0 GDADMM COc1nn2cc(Br)cnc2c1S(=O)(=O)[N-][C@@H]1C[C@H]1C1CC1 ZINC000915177931 660163433 /nfs/dbraw/zinc/16/34/33/660163433.db2.gz VUBPOJARYWJBCT-VHSXEESVSA-N -1 1 387.259 1.577 20 0 GDADMM CCCN1CC[C@@H](NS(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)C1 ZINC000389375715 677677694 /nfs/dbraw/zinc/67/76/94/677677694.db2.gz XHZBALHHNPQGOZ-SNVBAGLBSA-N -1 1 391.287 1.910 20 0 GDADMM Cc1nc(S(=O)(=O)[N-]C[C@@H](O)COc2ccc(F)c(F)c2)sc1C ZINC000533552317 677678743 /nfs/dbraw/zinc/67/87/43/677678743.db2.gz XSVGHNQHUYPEKT-SNVBAGLBSA-N -1 1 378.422 1.756 20 0 GDADMM CN1CCN(C)[C@@H](CNC(=O)N[C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)C1 ZINC000908989479 939367178 /nfs/dbraw/zinc/36/71/78/939367178.db2.gz ZUOYWDSKEFWNSP-KBPBESRZSA-N -1 1 388.390 1.376 20 0 GDADMM Cc1cc([C@H](NC(=O)c2cccc(N3CCN(C)CC3)n2)C(=O)[O-])ccc1F ZINC000909797250 939735716 /nfs/dbraw/zinc/73/57/16/939735716.db2.gz OVOXSNZTFQDBBV-SFHVURJKSA-N -1 1 386.427 1.837 20 0 GDADMM CCN1CC[NH+](CCC(=O)N[C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)CC1 ZINC000911064199 939769943 /nfs/dbraw/zinc/76/99/43/939769943.db2.gz UVQQPVGKXNYUFP-MRXNPFEDSA-N -1 1 387.402 1.975 20 0 GDADMM O=C([O-])C1(NC(=O)N[C@@H]2CCCN3CCSC[C@H]23)Cc2ccccc2C1 ZINC001119642967 939815529 /nfs/dbraw/zinc/81/55/29/939815529.db2.gz IVNFOLHASLWWRL-HZPDHXFCSA-N -1 1 375.494 1.488 20 0 GDADMM CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000819802700 945295052 /nfs/dbraw/zinc/29/50/52/945295052.db2.gz HLASLXCOSBXTHF-ZDUSSCGKSA-N -1 1 383.437 1.798 20 0 GDADMM CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000819802700 945295058 /nfs/dbraw/zinc/29/50/58/945295058.db2.gz HLASLXCOSBXTHF-ZDUSSCGKSA-N -1 1 383.437 1.798 20 0 GDADMM CN(C)S(=O)(=O)c1cccc(NS(=O)(=O)c2ccsc2C(=O)[O-])c1 ZINC000323833471 971044621 /nfs/dbraw/zinc/04/46/21/971044621.db2.gz BLSUFHCYXGDYDO-UHFFFAOYSA-N -1 1 390.464 1.497 20 0 GDADMM C[C@@H]1CN(C(=O)c2nccs2)C[C@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001571261131 945422585 /nfs/dbraw/zinc/42/25/85/945422585.db2.gz AVDDZDJBSYPYFK-GHMZBOCLSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@@H]1CN(C(=O)c2nccs2)C[C@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001571261131 945422593 /nfs/dbraw/zinc/42/25/93/945422593.db2.gz AVDDZDJBSYPYFK-GHMZBOCLSA-N -1 1 385.457 1.324 20 0 GDADMM CC[C@@H]1CN(C(=O)c2nccs2)CC[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571261158 945423222 /nfs/dbraw/zinc/42/32/22/945423222.db2.gz BFHWWQRZVAHGRV-MNOVXSKESA-N -1 1 385.457 1.466 20 0 GDADMM CC[C@@H]1CN(C(=O)c2nccs2)CC[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571261158 945423227 /nfs/dbraw/zinc/42/32/27/945423227.db2.gz BFHWWQRZVAHGRV-MNOVXSKESA-N -1 1 385.457 1.466 20 0 GDADMM Cc1noc(C)c1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(-c2nn[n-]n2)s1 ZINC001571261575 945429713 /nfs/dbraw/zinc/42/97/13/945429713.db2.gz GRZBQOUGOBXIMC-RYUDHWBXSA-N -1 1 385.453 1.632 20 0 GDADMM CN(C(=O)c1ccns1)C1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571261857 945432145 /nfs/dbraw/zinc/43/21/45/945432145.db2.gz KRRVOHRQIPJDHT-UHFFFAOYSA-N -1 1 385.457 1.609 20 0 GDADMM CN(C(=O)c1ccns1)C1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571261857 945432148 /nfs/dbraw/zinc/43/21/48/945432148.db2.gz KRRVOHRQIPJDHT-UHFFFAOYSA-N -1 1 385.457 1.609 20 0 GDADMM Cc1ncsc1C(=O)N1CC[C@@H](N(C)c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571262813 945444412 /nfs/dbraw/zinc/44/44/12/945444412.db2.gz YXENKEJOCXXGBE-LLVKDONJSA-N -1 1 385.457 1.081 20 0 GDADMM Cc1ncsc1C(=O)N1CC[C@@H](N(C)c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571262813 945444419 /nfs/dbraw/zinc/44/44/19/945444419.db2.gz YXENKEJOCXXGBE-LLVKDONJSA-N -1 1 385.457 1.081 20 0 GDADMM Cc1ncsc1C(=O)N1C[C@@H](C)[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571262936 945445455 /nfs/dbraw/zinc/44/54/55/945445455.db2.gz CRVWBGGGKDHPBU-KOLCDFICSA-N -1 1 385.457 1.242 20 0 GDADMM Cc1ncsc1C(=O)N1C[C@@H](C)[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571262936 945445460 /nfs/dbraw/zinc/44/54/60/945445460.db2.gz CRVWBGGGKDHPBU-KOLCDFICSA-N -1 1 385.457 1.242 20 0 GDADMM Cc1ncsc1C(=O)NC[C@H]1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571263038 945447519 /nfs/dbraw/zinc/44/75/19/945447519.db2.gz GFGNCFZIMSWQPG-WDEREUQCSA-N -1 1 385.457 1.432 20 0 GDADMM Cc1ncsc1C(=O)NC[C@H]1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571263038 945447525 /nfs/dbraw/zinc/44/75/25/945447525.db2.gz GFGNCFZIMSWQPG-WDEREUQCSA-N -1 1 385.457 1.432 20 0 GDADMM O=C(Cc1cscn1)N[C@H]1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571262965 945447583 /nfs/dbraw/zinc/44/75/83/945447583.db2.gz DIZKHVWBDPHGAP-MNOVXSKESA-N -1 1 385.457 1.195 20 0 GDADMM O=C(Cc1cscn1)N[C@H]1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571262965 945447588 /nfs/dbraw/zinc/44/75/88/945447588.db2.gz DIZKHVWBDPHGAP-MNOVXSKESA-N -1 1 385.457 1.195 20 0 GDADMM Cc1nsc(C)c1C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)[C@H]1C ZINC001571263014 945447767 /nfs/dbraw/zinc/44/77/67/945447767.db2.gz FSBDXTOSHKWLEI-KOLCDFICSA-N -1 1 385.457 1.445 20 0 GDADMM Cc1nsc(C)c1C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)[C@H]1C ZINC001571263014 945447774 /nfs/dbraw/zinc/44/77/74/945447774.db2.gz FSBDXTOSHKWLEI-KOLCDFICSA-N -1 1 385.457 1.445 20 0 GDADMM Cc1ncc(C(=O)N2C[C@@H](C)[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)s1 ZINC001571263018 945448331 /nfs/dbraw/zinc/44/83/31/945448331.db2.gz FUJWVZJAEVJCJU-KOLCDFICSA-N -1 1 385.457 1.242 20 0 GDADMM Cc1ncc(C(=O)N2C[C@@H](C)[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)s1 ZINC001571263018 945448338 /nfs/dbraw/zinc/44/83/38/945448338.db2.gz FUJWVZJAEVJCJU-KOLCDFICSA-N -1 1 385.457 1.242 20 0 GDADMM O=C(Cc1cscn1)N1CCCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571263147 945451984 /nfs/dbraw/zinc/45/19/84/945451984.db2.gz IWLZOWFNRPVWJS-GFCCVEGCSA-N -1 1 385.457 1.149 20 0 GDADMM O=C(Cc1cscn1)N1CCCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571263147 945451990 /nfs/dbraw/zinc/45/19/90/945451990.db2.gz IWLZOWFNRPVWJS-GFCCVEGCSA-N -1 1 385.457 1.149 20 0 GDADMM Cc1nsc(N[C@@H]2CCN(C(=O)c3ccc(C)nn3)[C@H]2C)c1-c1nn[n-]n1 ZINC001571263123 945452241 /nfs/dbraw/zinc/45/22/41/945452241.db2.gz HXWBIIWSOKWMAI-WDEREUQCSA-N -1 1 385.457 1.445 20 0 GDADMM Cc1nsc(C)c1C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571263243 945453212 /nfs/dbraw/zinc/45/32/12/945453212.db2.gz KXIAOIDZBJJAIC-LLVKDONJSA-N -1 1 385.457 1.129 20 0 GDADMM Cc1nsc(C)c1C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571263243 945453214 /nfs/dbraw/zinc/45/32/14/945453214.db2.gz KXIAOIDZBJJAIC-LLVKDONJSA-N -1 1 385.457 1.129 20 0 GDADMM O=C(NC[C@H]1CCCCCN1c1ccnc(-c2nn[n-]n2)n1)c1ccns1 ZINC001571263268 945453311 /nfs/dbraw/zinc/45/33/11/945453311.db2.gz LPUHFTCJICURQI-LLVKDONJSA-N -1 1 385.457 1.292 20 0 GDADMM Cc1nc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)[C@@H]2C)sc1C ZINC001571263213 945454281 /nfs/dbraw/zinc/45/42/81/945454281.db2.gz KCOGLBBTEDWILA-KOLCDFICSA-N -1 1 385.457 1.127 20 0 GDADMM Cc1nc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)[C@@H]2C)sc1C ZINC001571263213 945454286 /nfs/dbraw/zinc/45/42/86/945454286.db2.gz KCOGLBBTEDWILA-KOLCDFICSA-N -1 1 385.457 1.127 20 0 GDADMM O=C(NC[C@@H]1CCCCCN1c1cnc(-c2nnn[n-]2)cn1)c1nccs1 ZINC001571263427 945458145 /nfs/dbraw/zinc/45/81/45/945458145.db2.gz PTICBODGNATUGU-NSHDSACASA-N -1 1 385.457 1.292 20 0 GDADMM O=C(NC[C@@H]1CCCCCN1c1cnc(-c2nn[n-]n2)cn1)c1nccs1 ZINC001571263427 945458148 /nfs/dbraw/zinc/45/81/48/945458148.db2.gz PTICBODGNATUGU-NSHDSACASA-N -1 1 385.457 1.292 20 0 GDADMM Cc1nscc1C(=O)N[C@H]1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571263702 945466012 /nfs/dbraw/zinc/46/60/12/945466012.db2.gz WZAFHJGKFHQQSU-PWSUYJOCSA-N -1 1 385.457 1.432 20 0 GDADMM Cc1nscc1C(=O)N[C@H]1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571263702 945466016 /nfs/dbraw/zinc/46/60/16/945466016.db2.gz WZAFHJGKFHQQSU-PWSUYJOCSA-N -1 1 385.457 1.432 20 0 GDADMM Cc1nsc(NC[C@@H]2CCCN2C(=O)c2cc(C)ncn2)c1-c1nn[n-]n1 ZINC001571263885 945469432 /nfs/dbraw/zinc/46/94/32/945469432.db2.gz ZCHKEQFNZKDXAD-NSHDSACASA-N -1 1 385.457 1.447 20 0 GDADMM O=C(c1cc(Cl)c[nH]1)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571266120 945530707 /nfs/dbraw/zinc/53/07/07/945530707.db2.gz WTYZTMABBUMSHG-PHIMTYICSA-N -1 1 385.819 1.132 20 0 GDADMM Cc1nsc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)c1-c1nn[n-]n1 ZINC001571266343 945539666 /nfs/dbraw/zinc/53/96/66/945539666.db2.gz ZVYHDFGKXKFMKA-GQHARHJQSA-N -1 1 385.497 1.619 20 0 GDADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CC(Cc2ccc(F)c(F)c2)C1 ZINC001571266886 945555866 /nfs/dbraw/zinc/55/58/66/945555866.db2.gz BHMNTKRBBWRTKT-UHFFFAOYSA-N -1 1 386.362 1.869 20 0 GDADMM C[C@H]1CN(C(=O)c2c(F)cccc2F)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571266994 945558384 /nfs/dbraw/zinc/55/83/84/945558384.db2.gz FSLOPRYSHGLPAQ-JOYOIKCWSA-N -1 1 386.366 1.508 20 0 GDADMM C[C@H]1CN(C(=O)c2c(F)cccc2F)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571266994 945558396 /nfs/dbraw/zinc/55/83/96/945558396.db2.gz FSLOPRYSHGLPAQ-JOYOIKCWSA-N -1 1 386.366 1.508 20 0 GDADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(F)c(F)c1 ZINC001571267020 945558415 /nfs/dbraw/zinc/55/84/15/945558415.db2.gz GFSGXWKZNUQUFC-ZANVPECISA-N -1 1 386.366 1.072 20 0 GDADMM COC(=O)c1ccc(OC)c(F)c1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001571266968 945558556 /nfs/dbraw/zinc/55/85/56/945558556.db2.gz DQLPWZIZRDUJAL-UHFFFAOYSA-N -1 1 386.343 1.377 20 0 GDADMM COC(=O)c1ccc(OC)c(F)c1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001571266968 945558563 /nfs/dbraw/zinc/55/85/63/945558563.db2.gz DQLPWZIZRDUJAL-UHFFFAOYSA-N -1 1 386.343 1.377 20 0 GDADMM O=C(Cc1ccc(F)cc1F)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571267034 945558862 /nfs/dbraw/zinc/55/88/62/945558862.db2.gz HCLMUCMAIVNFCJ-TXEJJXNPSA-N -1 1 386.366 1.237 20 0 GDADMM O=C(Cc1ccc(F)cc1F)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571267034 945558867 /nfs/dbraw/zinc/55/88/67/945558867.db2.gz HCLMUCMAIVNFCJ-TXEJJXNPSA-N -1 1 386.366 1.237 20 0 GDADMM O=C(c1ccc(F)c(F)c1)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571267134 945562578 /nfs/dbraw/zinc/56/25/78/945562578.db2.gz KIAMELXUVHBNHB-NSHDSACASA-N -1 1 386.366 1.074 20 0 GDADMM O=C(Cc1c(F)cccc1F)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571267138 945563082 /nfs/dbraw/zinc/56/30/82/945563082.db2.gz KKDMVABQMIDXIR-MGCOHNPYSA-N -1 1 386.366 1.237 20 0 GDADMM O=C(Cc1c(F)cccc1F)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571267138 945563088 /nfs/dbraw/zinc/56/30/88/945563088.db2.gz KKDMVABQMIDXIR-MGCOHNPYSA-N -1 1 386.366 1.237 20 0 GDADMM O=C(c1cc(F)ccc1F)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571267219 945564612 /nfs/dbraw/zinc/56/46/12/945564612.db2.gz MYARVXNGUXLQQQ-JTQLQIEISA-N -1 1 386.366 1.509 20 0 GDADMM O=C(c1cc(F)ccc1F)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571267219 945564618 /nfs/dbraw/zinc/56/46/18/945564618.db2.gz MYARVXNGUXLQQQ-JTQLQIEISA-N -1 1 386.366 1.509 20 0 GDADMM O=C(NCC1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1)c1c(F)cccc1F ZINC001571267359 945567965 /nfs/dbraw/zinc/56/79/65/945567965.db2.gz RSTVGWQEXUCPQS-UHFFFAOYSA-N -1 1 386.366 1.555 20 0 GDADMM O=C(NCC1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1)c1c(F)cccc1F ZINC001571267359 945567970 /nfs/dbraw/zinc/56/79/70/945567970.db2.gz RSTVGWQEXUCPQS-UHFFFAOYSA-N -1 1 386.366 1.555 20 0 GDADMM O=C(N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccc(F)cc1F ZINC001571267395 945569763 /nfs/dbraw/zinc/56/97/63/945569763.db2.gz TTYUGABGAQOVER-LLVKDONJSA-N -1 1 386.366 1.334 20 0 GDADMM O=C(N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccc(F)cc1F ZINC001571267395 945569768 /nfs/dbraw/zinc/56/97/68/945569768.db2.gz TTYUGABGAQOVER-LLVKDONJSA-N -1 1 386.366 1.334 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc(F)cc(F)c1 ZINC001571267486 945571886 /nfs/dbraw/zinc/57/18/86/945571886.db2.gz WMDLKSJLVSRYHG-ZANVPECISA-N -1 1 386.366 1.650 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc(F)cc(F)c1 ZINC001571267486 945571891 /nfs/dbraw/zinc/57/18/91/945571891.db2.gz WMDLKSJLVSRYHG-ZANVPECISA-N -1 1 386.366 1.650 20 0 GDADMM O=C(Cc1cc(F)ccc1F)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571267575 945573383 /nfs/dbraw/zinc/57/33/83/945573383.db2.gz YXUCUNRZPXOCFA-TXEJJXNPSA-N -1 1 386.366 1.237 20 0 GDADMM O=C(Cc1cc(F)ccc1F)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571267575 945573391 /nfs/dbraw/zinc/57/33/91/945573391.db2.gz YXUCUNRZPXOCFA-TXEJJXNPSA-N -1 1 386.366 1.237 20 0 GDADMM COC(=O)CNC(=O)c1ccc(NC(=O)c2csc(-c3nn[n-]n3)c2)cc1 ZINC001571268484 945597783 /nfs/dbraw/zinc/59/77/83/945597783.db2.gz TVCIOHXQXLHTMO-UHFFFAOYSA-N -1 1 386.393 1.083 20 0 GDADMM CCC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)c2csnn2)CC1 ZINC001571269990 945629760 /nfs/dbraw/zinc/62/97/60/945629760.db2.gz JQZOWMSUTKGWHA-UHFFFAOYSA-N -1 1 386.445 1.005 20 0 GDADMM CCC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)c2csnn2)CC1 ZINC001571269990 945629768 /nfs/dbraw/zinc/62/97/68/945629768.db2.gz JQZOWMSUTKGWHA-UHFFFAOYSA-N -1 1 386.445 1.005 20 0 GDADMM COc1ccsc1C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)[C@H]1C ZINC001571270371 945635388 /nfs/dbraw/zinc/63/53/88/945635388.db2.gz RSIMUBRFIFQFRQ-NXEZZACHSA-N -1 1 386.441 1.442 20 0 GDADMM COc1ccsc1C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)[C@H]1C ZINC001571270371 945635394 /nfs/dbraw/zinc/63/53/94/945635394.db2.gz RSIMUBRFIFQFRQ-NXEZZACHSA-N -1 1 386.441 1.442 20 0 GDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CN(C(=O)c2cccs2)CCO1 ZINC001571270455 945636408 /nfs/dbraw/zinc/63/64/08/945636408.db2.gz UAECBFDMOQVXEW-PWSUYJOCSA-N -1 1 386.441 1.060 20 0 GDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CN(C(=O)c2cccs2)CCO1 ZINC001571270455 945636415 /nfs/dbraw/zinc/63/64/15/945636415.db2.gz UAECBFDMOQVXEW-PWSUYJOCSA-N -1 1 386.441 1.060 20 0 GDADMM COc1csc(C(=O)N2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C[C@@H]2C)c1 ZINC001571270573 945638631 /nfs/dbraw/zinc/63/86/31/945638631.db2.gz VLAKHACIMTVXSL-UWVGGRQHSA-N -1 1 386.441 1.442 20 0 GDADMM COc1csc(C(=O)N2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C[C@@H]2C)c1 ZINC001571270573 945638646 /nfs/dbraw/zinc/63/86/46/945638646.db2.gz VLAKHACIMTVXSL-UWVGGRQHSA-N -1 1 386.441 1.442 20 0 GDADMM O=C(COC1CCCCC1)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571272626 945666962 /nfs/dbraw/zinc/66/69/62/945666962.db2.gz GKZLTCKARQNECW-CYBMUJFWSA-N -1 1 386.460 1.409 20 0 GDADMM O=C(COC1CCCCC1)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571272626 945666966 /nfs/dbraw/zinc/66/69/66/945666966.db2.gz GKZLTCKARQNECW-CYBMUJFWSA-N -1 1 386.460 1.409 20 0 GDADMM CCc1c(C(=O)N2CC[C@@H](Nc3snc(C)c3-c3nn[n-]n3)C2)ccn1C ZINC001571272786 945671427 /nfs/dbraw/zinc/67/14/27/945671427.db2.gz ZZWUQJPCGSTRGK-LLVKDONJSA-N -1 1 386.485 1.859 20 0 GDADMM O=C(CC[C@@H]1CCOC1)N1CCC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571273070 945677781 /nfs/dbraw/zinc/67/77/81/945677781.db2.gz OKZWOVDONCMARW-ZIAGYGMSSA-N -1 1 386.460 1.124 20 0 GDADMM O=C(CC[C@@H]1CCOC1)N1CCC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571273070 945677787 /nfs/dbraw/zinc/67/77/87/945677787.db2.gz OKZWOVDONCMARW-ZIAGYGMSSA-N -1 1 386.460 1.124 20 0 GDADMM CCOC(=O)c1c(NC(=O)c2ccc(-c3nn[n-]n3)o2)cc(OC)cc1OC ZINC001571274789 945700871 /nfs/dbraw/zinc/70/08/71/945700871.db2.gz LFKVAKFNKKKSTJ-UHFFFAOYSA-N -1 1 387.352 1.906 20 0 GDADMM CC1(C)CN(C(=O)[C@@H]2CCCOCC2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571278673 945758168 /nfs/dbraw/zinc/75/81/68/945758168.db2.gz QMYOVXWVCJEPLF-TZMCWYRMSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CN(C(=O)[C@@H]2CCCOCC2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571278673 945758174 /nfs/dbraw/zinc/75/81/74/945758174.db2.gz QMYOVXWVCJEPLF-TZMCWYRMSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C(=O)N2CCCO[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)CCCC1 ZINC001571279974 945792426 /nfs/dbraw/zinc/79/24/26/945792426.db2.gz YOJPAEFTZAGUMF-CYBMUJFWSA-N -1 1 386.460 1.266 20 0 GDADMM CC1(C(=O)N2CCCO[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)CCCC1 ZINC001571279974 945792432 /nfs/dbraw/zinc/79/24/32/945792432.db2.gz YOJPAEFTZAGUMF-CYBMUJFWSA-N -1 1 386.460 1.266 20 0 GDADMM Cc1nsc(N2CCC[C@H](NC(=O)Cc3ccoc3)CC2)c1-c1nn[n-]n1 ZINC001571280962 945795918 /nfs/dbraw/zinc/79/59/18/945795918.db2.gz ARCCZIODYCVVTR-ZDUSSCGKSA-N -1 1 387.469 1.942 20 0 GDADMM CCn1cc(C(=O)N2CC[C@@H](Nc3snc(C)c3-c3nn[n-]n3)C2)c(C)n1 ZINC001571281345 945800120 /nfs/dbraw/zinc/80/01/20/945800120.db2.gz GQGXYQYQNGEJSH-LLVKDONJSA-N -1 1 387.473 1.483 20 0 GDADMM Cc1cc(C(=O)NC[C@H]2CCCCN2c2snc(C)c2-c2nn[n-]n2)[nH]n1 ZINC001571281657 945810565 /nfs/dbraw/zinc/81/05/65/945810565.db2.gz KVGUBGMPSWKOFE-LLVKDONJSA-N -1 1 387.473 1.452 20 0 GDADMM Cc1n[nH]cc1C(=O)N1CC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)[C@@H](C)C1 ZINC001571282171 945831716 /nfs/dbraw/zinc/83/17/16/945831716.db2.gz SXVMSULCGWPNLG-QPUJVOFHSA-N -1 1 387.473 1.626 20 0 GDADMM CC(=O)N1CCOC2(CCN(c3nc(Cl)c(-c4nnn[n-]4)s3)CC2)C1 ZINC001573451336 945835892 /nfs/dbraw/zinc/83/58/92/945835892.db2.gz TZYHTKQHCVFMCU-UHFFFAOYSA-N -1 1 383.865 1.194 20 0 GDADMM CC(=O)N1CCOC2(CCN(c3nc(Cl)c(-c4nn[n-]n4)s3)CC2)C1 ZINC001573451336 945835913 /nfs/dbraw/zinc/83/59/13/945835913.db2.gz TZYHTKQHCVFMCU-UHFFFAOYSA-N -1 1 383.865 1.194 20 0 GDADMM Cc1cn(C)nc1C(=O)N[C@H]1C[C@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571282381 945842786 /nfs/dbraw/zinc/84/27/86/945842786.db2.gz WXCANDMZHGREJT-XYPYZODXSA-N -1 1 387.473 1.294 20 0 GDADMM CCc1nc(N[C@H]2C[C@@H](NC(=O)c3cc(Cl)c[nH]3)C2)cc(-c2nnn[n-]2)n1 ZINC001571283227 945878880 /nfs/dbraw/zinc/87/88/80/945878880.db2.gz CDZCOHIFBCMHBY-AOOOYVTPSA-N -1 1 387.835 1.574 20 0 GDADMM CCc1nc(N[C@H]2C[C@@H](NC(=O)c3cc(Cl)c[nH]3)C2)cc(-c2nn[n-]n2)n1 ZINC001571283227 945878890 /nfs/dbraw/zinc/87/88/90/945878890.db2.gz CDZCOHIFBCMHBY-AOOOYVTPSA-N -1 1 387.835 1.574 20 0 GDADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H]1CCN(C(=O)c2ccc(Cl)[nH]2)C1 ZINC001571283424 945887616 /nfs/dbraw/zinc/88/76/16/945887616.db2.gz FTEXWECPDMBITB-UWVGGRQHSA-N -1 1 387.835 1.601 20 0 GDADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H]1CCN(C(=O)c2ccc(Cl)[nH]2)C1 ZINC001571283424 945887629 /nfs/dbraw/zinc/88/76/29/945887629.db2.gz FTEXWECPDMBITB-UWVGGRQHSA-N -1 1 387.835 1.601 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@@H](C2(NC(=O)c3ccc(-c4nnn[n-]4)o3)CC2)C1 ZINC001571286257 945941962 /nfs/dbraw/zinc/94/19/62/945941962.db2.gz CFWLPODVBUKHDL-LLVKDONJSA-N -1 1 388.428 1.979 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@@H](C2(NC(=O)c3ccc(-c4nn[n-]n4)o3)CC2)C1 ZINC001571286257 945941972 /nfs/dbraw/zinc/94/19/72/945941972.db2.gz CFWLPODVBUKHDL-LLVKDONJSA-N -1 1 388.428 1.979 20 0 GDADMM O=C(c1ccc(F)s1)N1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571287815 945977219 /nfs/dbraw/zinc/97/72/19/945977219.db2.gz IMVSAGMJDVNIGB-JTQLQIEISA-N -1 1 388.432 1.964 20 0 GDADMM O=C(c1ccc(F)s1)N1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571287815 945977238 /nfs/dbraw/zinc/97/72/38/945977238.db2.gz IMVSAGMJDVNIGB-JTQLQIEISA-N -1 1 388.432 1.964 20 0 GDADMM O=C(c1ccc2c(c1)CCC=C2)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571288690 945989855 /nfs/dbraw/zinc/98/98/55/945989855.db2.gz RFJFNPXCNWYERQ-MRXNPFEDSA-N -1 1 388.435 1.943 20 0 GDADMM O=C(c1ccc2c(c1)CCC=C2)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571288690 945989858 /nfs/dbraw/zinc/98/98/58/945989858.db2.gz RFJFNPXCNWYERQ-MRXNPFEDSA-N -1 1 388.435 1.943 20 0 GDADMM CC[C@@H](OC)C(=O)N1CCC(CN(C)c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001571289512 946009655 /nfs/dbraw/zinc/00/96/55/946009655.db2.gz GIJQXRRWYCUNKM-OAHLLOKOSA-N -1 1 388.476 1.065 20 0 GDADMM CC[C@@H](OC)C(=O)N1CCC(CN(C)c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001571289512 946009665 /nfs/dbraw/zinc/00/96/65/946009665.db2.gz GIJQXRRWYCUNKM-OAHLLOKOSA-N -1 1 388.476 1.065 20 0 GDADMM O=C(N[C@@H]1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C1(F)CCCCC1 ZINC001571289788 946018519 /nfs/dbraw/zinc/01/85/19/946018519.db2.gz MOACHKZKHVEBIN-CHWSQXEVSA-N -1 1 388.451 1.448 20 0 GDADMM CCc1nc(NC[C@H]2CCCN2C(=O)[C@H](OC)C(C)C)cc(-c2nnn[n-]2)n1 ZINC001571290087 946029657 /nfs/dbraw/zinc/02/96/57/946029657.db2.gz VBMCDYZGOWBYEO-MLGOLLRUSA-N -1 1 388.476 1.293 20 0 GDADMM CCc1nc(NC[C@H]2CCCN2C(=O)[C@H](OC)C(C)C)cc(-c2nn[n-]n2)n1 ZINC001571290087 946029670 /nfs/dbraw/zinc/02/96/70/946029670.db2.gz VBMCDYZGOWBYEO-MLGOLLRUSA-N -1 1 388.476 1.293 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC3(C[C@H]3NC(=O)C(C)(C)F)CC2)n1 ZINC001571290147 946030544 /nfs/dbraw/zinc/03/05/44/946030544.db2.gz WBOXOEJOXUYTGM-GFCCVEGCSA-N -1 1 388.451 1.442 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC3(C[C@H]3NC(=O)C(C)(C)F)CC2)n1 ZINC001571290147 946030560 /nfs/dbraw/zinc/03/05/60/946030560.db2.gz WBOXOEJOXUYTGM-GFCCVEGCSA-N -1 1 388.451 1.442 20 0 GDADMM O=C(N[C@H]1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1)c1ccc(Cl)o1 ZINC001571290591 946049227 /nfs/dbraw/zinc/04/92/27/946049227.db2.gz JNNSUECMSCDRQQ-UWVGGRQHSA-N -1 1 388.819 1.914 20 0 GDADMM O=C(N[C@H]1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1)c1ccc(Cl)o1 ZINC001571290591 946049240 /nfs/dbraw/zinc/04/92/40/946049240.db2.gz JNNSUECMSCDRQQ-UWVGGRQHSA-N -1 1 388.819 1.914 20 0 GDADMM O=C(c1ccccn1)N1C[C@@H]2C[C@H]1CN2c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001571290682 946050495 /nfs/dbraw/zinc/05/04/95/946050495.db2.gz LQJPLLAIHNGAKE-IUCAKERBSA-N -1 1 388.844 1.475 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)Nc1cc(F)ccc1O ZINC000822459574 946097370 /nfs/dbraw/zinc/09/73/70/946097370.db2.gz SQOHZXYUUZLCJN-UHFFFAOYSA-N -1 1 396.386 1.942 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)Nc1cc(F)ccc1O ZINC000822459574 946097379 /nfs/dbraw/zinc/09/73/79/946097379.db2.gz SQOHZXYUUZLCJN-UHFFFAOYSA-N -1 1 396.386 1.942 20 0 GDADMM Cc1nsc(NC[C@@H]2CN(C(=O)Cc3ccoc3)CCO2)c1-c1nn[n-]n1 ZINC001571293602 946110817 /nfs/dbraw/zinc/11/08/17/946110817.db2.gz MHTPNWSSBYZCJF-GFCCVEGCSA-N -1 1 389.441 1.107 20 0 GDADMM O=C(c1ccnc(C2CC2)c1)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1 ZINC001571293673 946112806 /nfs/dbraw/zinc/11/28/06/946112806.db2.gz ORHACTVCUGIMNT-KBPBESRZSA-N -1 1 389.423 1.032 20 0 GDADMM O=C(c1ccnc(C2CC2)c1)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1 ZINC001571293673 946112816 /nfs/dbraw/zinc/11/28/16/946112816.db2.gz ORHACTVCUGIMNT-KBPBESRZSA-N -1 1 389.423 1.032 20 0 GDADMM CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571293710 946113653 /nfs/dbraw/zinc/11/36/53/946113653.db2.gz PRWVPXCRMFRPME-DGCLKSJQSA-N -1 1 389.460 1.098 20 0 GDADMM O=C(c1c(F)cc(F)cc1F)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571294195 946127473 /nfs/dbraw/zinc/12/74/73/946127473.db2.gz AMWWAYSDJATCMP-UHFFFAOYSA-N -1 1 390.329 1.036 20 0 GDADMM O=C(c1c(F)cc(F)cc1F)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571294195 946127481 /nfs/dbraw/zinc/12/74/81/946127481.db2.gz AMWWAYSDJATCMP-UHFFFAOYSA-N -1 1 390.329 1.036 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccc(C(F)F)o1 ZINC001571294425 946134243 /nfs/dbraw/zinc/13/42/43/946134243.db2.gz FNXWJQRGAKKGRO-DTORHVGOSA-N -1 1 390.354 1.230 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)n1 ZINC000822613104 946137919 /nfs/dbraw/zinc/13/79/19/946137919.db2.gz AOEIGBGNKJWUGM-SNVBAGLBSA-N -1 1 384.448 1.231 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)n1 ZINC000822613104 946137927 /nfs/dbraw/zinc/13/79/27/946137927.db2.gz AOEIGBGNKJWUGM-SNVBAGLBSA-N -1 1 384.448 1.231 20 0 GDADMM O=C([C@@H]1CCC1(F)F)N1CC[C@@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571294757 946143073 /nfs/dbraw/zinc/14/30/73/946143073.db2.gz LZGYIOSLWSSHND-MEDUHNTESA-N -1 1 390.398 1.131 20 0 GDADMM Cc1nsc(N2CC[C@@H]3[C@@H]2CCCN3C(=O)[C@H]2CCOC2)c1-c1nn[n-]n1 ZINC001571295227 946157457 /nfs/dbraw/zinc/15/74/57/946157457.db2.gz QJPUBHFPOYEFFD-RWMBFGLXSA-N -1 1 389.485 1.238 20 0 GDADMM O=C([C@@H]1C[C@H]1c1ccccc1)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571297822 946199508 /nfs/dbraw/zinc/19/95/08/946199508.db2.gz AKOMFQUYROHNKH-HRCADAONSA-N -1 1 390.451 1.863 20 0 GDADMM O=C([C@@H]1C[C@H]1c1ccccc1)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571297822 946199517 /nfs/dbraw/zinc/19/95/17/946199517.db2.gz AKOMFQUYROHNKH-HRCADAONSA-N -1 1 390.451 1.863 20 0 GDADMM O=C(CC1CC1)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1c1ccccc1 ZINC001571298431 946216905 /nfs/dbraw/zinc/21/69/05/946216905.db2.gz NTXMNPIIEPDCOE-DOTOQJQBSA-N -1 1 390.451 1.545 20 0 GDADMM O=C(CC1CC1)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1c1ccccc1 ZINC001571298431 946216916 /nfs/dbraw/zinc/21/69/16/946216916.db2.gz NTXMNPIIEPDCOE-DOTOQJQBSA-N -1 1 390.451 1.545 20 0 GDADMM Cc1[nH]nc(NC(=O)[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1-c1nn[n-]n1 ZINC001571298649 946224158 /nfs/dbraw/zinc/22/41/58/946224158.db2.gz IKCQKVMKHYUBHI-GHMZBOCLSA-N -1 1 390.448 1.920 20 0 GDADMM CCc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001571298631 946225436 /nfs/dbraw/zinc/22/54/36/946225436.db2.gz ICEWIPZIJVSDCP-IYBDPMFKSA-N -1 1 390.451 1.713 20 0 GDADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)NN1CCc2ccccc2C1=O ZINC001571298761 946228519 /nfs/dbraw/zinc/22/85/19/946228519.db2.gz DDUNUHHEHCBYRU-UHFFFAOYSA-N -1 1 390.816 1.712 20 0 GDADMM C[C@]1(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CCc2ccccc21 ZINC001571299416 946248141 /nfs/dbraw/zinc/24/81/41/946248141.db2.gz QGARGLAASQESGZ-XOBRGWDASA-N -1 1 390.451 1.256 20 0 GDADMM C[C@]1(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CCc2ccccc21 ZINC001571299416 946248152 /nfs/dbraw/zinc/24/81/52/946248152.db2.gz QGARGLAASQESGZ-XOBRGWDASA-N -1 1 390.451 1.256 20 0 GDADMM O=C(CCn1cnc2sccc2c1=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822986778 946248881 /nfs/dbraw/zinc/24/88/81/946248881.db2.gz LDSRIIKUEJKMNJ-UHFFFAOYSA-N -1 1 383.393 1.167 20 0 GDADMM O=C(CCn1cnc2sccc2c1=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822986778 946248889 /nfs/dbraw/zinc/24/88/89/946248889.db2.gz LDSRIIKUEJKMNJ-UHFFFAOYSA-N -1 1 383.393 1.167 20 0 GDADMM C[C@@]1(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CCc2ccccc21 ZINC001571299412 946248906 /nfs/dbraw/zinc/24/89/06/946248906.db2.gz QFHRXWFQTJSSHO-VBKZILBWSA-N -1 1 390.451 1.256 20 0 GDADMM C[C@@]1(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CCc2ccccc21 ZINC001571299412 946248916 /nfs/dbraw/zinc/24/89/16/946248916.db2.gz QFHRXWFQTJSSHO-VBKZILBWSA-N -1 1 390.451 1.256 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2sccc2Cl)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571300066 946272584 /nfs/dbraw/zinc/27/25/84/946272584.db2.gz SNDNXFCNYGDUIB-SCZZXKLOSA-N -1 1 390.860 1.769 20 0 GDADMM Cc1noc(C(F)F)c1C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571301715 946280192 /nfs/dbraw/zinc/28/01/92/946280192.db2.gz AQPXFRVSDDIPHN-QMMMGPOBSA-N -1 1 391.342 1.217 20 0 GDADMM Cc1noc(C(F)F)c1C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571301715 946280208 /nfs/dbraw/zinc/28/02/08/946280208.db2.gz AQPXFRVSDDIPHN-QMMMGPOBSA-N -1 1 391.342 1.217 20 0 GDADMM COC(=O)[C@H](NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1)c1ccccc1F ZINC001571301882 946285314 /nfs/dbraw/zinc/28/53/14/946285314.db2.gz GRFMKXVKCURAEM-CQSZACIVSA-N -1 1 391.309 1.928 20 0 GDADMM COC(=O)[C@H](NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1)c1ccccc1F ZINC001571301882 946285322 /nfs/dbraw/zinc/28/53/22/946285322.db2.gz GRFMKXVKCURAEM-CQSZACIVSA-N -1 1 391.309 1.928 20 0 GDADMM O=C(c1csc(-c2nn[n-]n2)c1)N(CC(F)F)C1CCS(=O)(=O)CC1 ZINC001571302471 946305256 /nfs/dbraw/zinc/30/52/56/946305256.db2.gz YSVXZRUTVZRHKZ-UHFFFAOYSA-N -1 1 391.425 1.213 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3ccncc3)C2)n1 ZINC001571303076 946323620 /nfs/dbraw/zinc/32/36/20/946323620.db2.gz KTGMPJXBDIXPIS-LJISPDSOSA-N -1 1 391.439 1.223 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3ccncc3)C2)n1 ZINC001571303076 946323632 /nfs/dbraw/zinc/32/36/32/946323632.db2.gz KTGMPJXBDIXPIS-LJISPDSOSA-N -1 1 391.439 1.223 20 0 GDADMM O=C(Cn1nc(-c2ccccc2)ccc1=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000823136282 946326397 /nfs/dbraw/zinc/32/63/97/946326397.db2.gz SUBZSWBJHFXCFL-UHFFFAOYSA-N -1 1 380.393 1.186 20 0 GDADMM O=C(Cn1nc(-c2ccccc2)ccc1=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000823136282 946326410 /nfs/dbraw/zinc/32/64/10/946326410.db2.gz SUBZSWBJHFXCFL-UHFFFAOYSA-N -1 1 380.393 1.186 20 0 GDADMM CN(c1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)c2cccnc2C2CC2)C1 ZINC001571303673 946345004 /nfs/dbraw/zinc/34/50/04/946345004.db2.gz PADSFYFEGQQJCF-CYBMUJFWSA-N -1 1 391.439 1.280 20 0 GDADMM Cc1nccc(C(=O)N[C@@H]2CCN(c3snc(Cl)c3-c3nnn[n-]3)C2)n1 ZINC001571305429 946361083 /nfs/dbraw/zinc/36/10/83/946361083.db2.gz BACZZCKMSHEAFS-MRVPVSSYSA-N -1 1 391.848 1.084 20 0 GDADMM Cc1nccc(C(=O)N[C@@H]2CCN(c3snc(Cl)c3-c3nn[n-]n3)C2)n1 ZINC001571305429 946361096 /nfs/dbraw/zinc/36/10/96/946361096.db2.gz BACZZCKMSHEAFS-MRVPVSSYSA-N -1 1 391.848 1.084 20 0 GDADMM O=C(c1ncc(Cl)s1)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571305544 946366807 /nfs/dbraw/zinc/36/68/07/946366807.db2.gz DXFMQCAJVFMRES-UHFFFAOYSA-N -1 1 391.848 1.483 20 0 GDADMM O=C(c1ncc(Cl)s1)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571305544 946366813 /nfs/dbraw/zinc/36/68/13/946366813.db2.gz DXFMQCAJVFMRES-UHFFFAOYSA-N -1 1 391.848 1.483 20 0 GDADMM O=C(NC[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1)c1ccncn1 ZINC001571305655 946370041 /nfs/dbraw/zinc/37/00/41/946370041.db2.gz INHNCUZVNJDQFR-MRVPVSSYSA-N -1 1 391.848 1.023 20 0 GDADMM O=C(NC[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1)c1ccncn1 ZINC001571305655 946370054 /nfs/dbraw/zinc/37/00/54/946370054.db2.gz INHNCUZVNJDQFR-MRVPVSSYSA-N -1 1 391.848 1.023 20 0 GDADMM O=C(NC[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1)c1ccnnc1 ZINC001571305867 946379052 /nfs/dbraw/zinc/37/90/52/946379052.db2.gz MIIAYABJZHIZNM-QMMMGPOBSA-N -1 1 391.848 1.023 20 0 GDADMM O=C(NC[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1)c1ccnnc1 ZINC001571305867 946379066 /nfs/dbraw/zinc/37/90/66/946379066.db2.gz MIIAYABJZHIZNM-QMMMGPOBSA-N -1 1 391.848 1.023 20 0 GDADMM CN(c1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)c2scnc2Cl)C1 ZINC001571306185 946391785 /nfs/dbraw/zinc/39/17/85/946391785.db2.gz QLOHYGIHNPVZFK-MRVPVSSYSA-N -1 1 391.848 1.118 20 0 GDADMM CCO[C@H]1C[C@H]1C(=O)N1CCC(CNc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001571306325 946396166 /nfs/dbraw/zinc/39/61/66/946396166.db2.gz SRGNZZRLWSJOJQ-OLZOCXBDSA-N -1 1 391.501 1.707 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1scnc1Cl ZINC001571306547 946402112 /nfs/dbraw/zinc/40/21/12/946402112.db2.gz XCPJCTFMVMLZMW-YUMQZZPRSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1scnc1Cl ZINC001571306547 946402117 /nfs/dbraw/zinc/40/21/17/946402117.db2.gz XCPJCTFMVMLZMW-YUMQZZPRSA-N -1 1 391.848 1.482 20 0 GDADMM O=C(c1ccncn1)N1CCC[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571306526 946402874 /nfs/dbraw/zinc/40/28/74/946402874.db2.gz WSMZVLFEAOFNRS-QMMMGPOBSA-N -1 1 391.848 1.483 20 0 GDADMM Cc1nsc(N2CCC[C@@H](NC(=O)[C@]3(C)CCOC3)CC2)c1-c1nn[n-]n1 ZINC001571306655 946406922 /nfs/dbraw/zinc/40/69/22/946406922.db2.gz ZFUMSMGGDKFYPE-SJKOYZFVSA-N -1 1 391.501 1.533 20 0 GDADMM CCOC1CC(CC(=O)N2CC[C@@H](Nc3snc(C)c3-c3nn[n-]n3)C2)C1 ZINC001571306647 946407959 /nfs/dbraw/zinc/40/79/59/946407959.db2.gz ZFLVKQLZBUAUSK-OTTFEQOBSA-N -1 1 391.501 1.850 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCCC[C@@H]2CNC(=O)[C@H]2CC2(F)F)n1 ZINC001571307368 946422724 /nfs/dbraw/zinc/42/27/24/946422724.db2.gz CUIYHLSUWLKLPA-VXGBXAGGSA-N -1 1 392.414 1.486 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCCC[C@@H]2CNC(=O)[C@H]2CC2(F)F)n1 ZINC001571307368 946422729 /nfs/dbraw/zinc/42/27/29/946422729.db2.gz CUIYHLSUWLKLPA-VXGBXAGGSA-N -1 1 392.414 1.486 20 0 GDADMM CC1(C(=O)N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)CCC(F)(F)CC1 ZINC001571307593 946425345 /nfs/dbraw/zinc/42/53/45/946425345.db2.gz FWELCRNJHXTBJT-UHFFFAOYSA-N -1 1 392.414 1.521 20 0 GDADMM CC1(C(=O)N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)CCC(F)(F)CC1 ZINC001571307593 946425349 /nfs/dbraw/zinc/42/53/49/946425349.db2.gz FWELCRNJHXTBJT-UHFFFAOYSA-N -1 1 392.414 1.521 20 0 GDADMM C[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CC1CC(F)(F)C1 ZINC001571308537 946433148 /nfs/dbraw/zinc/43/31/48/946433148.db2.gz QHAIYSFOSOCBLD-JQWIXIFHSA-N -1 1 392.414 1.884 20 0 GDADMM C[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CC1CC(F)(F)C1 ZINC001571308537 946433152 /nfs/dbraw/zinc/43/31/52/946433152.db2.gz QHAIYSFOSOCBLD-JQWIXIFHSA-N -1 1 392.414 1.884 20 0 GDADMM CCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)C2CC(F)(F)C2)CC1 ZINC001571308721 946434938 /nfs/dbraw/zinc/43/49/38/946434938.db2.gz SLMYUDSTGXCCAZ-UHFFFAOYSA-N -1 1 392.414 1.885 20 0 GDADMM CCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)C2CC(F)(F)C2)CC1 ZINC001571308721 946434943 /nfs/dbraw/zinc/43/49/43/946434943.db2.gz SLMYUDSTGXCCAZ-UHFFFAOYSA-N -1 1 392.414 1.885 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)[C@@H]3CCCCC3(F)F)C2)n1 ZINC001571308850 946437952 /nfs/dbraw/zinc/43/79/52/946437952.db2.gz TXHHSEFLKFPDQQ-RYUDHWBXSA-N -1 1 392.414 1.486 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)[C@@H]3CCCCC3(F)F)C2)n1 ZINC001571308850 946437954 /nfs/dbraw/zinc/43/79/54/946437954.db2.gz TXHHSEFLKFPDQQ-RYUDHWBXSA-N -1 1 392.414 1.486 20 0 GDADMM CN(C[C@H]1CCCCN1C(=O)[C@H]1C[C@@H]1C(F)F)c1ccnc(-c2nn[n-]n2)n1 ZINC001571308916 946438385 /nfs/dbraw/zinc/43/83/85/946438385.db2.gz VWJBQYSOEFTURL-WOPDTQHZSA-N -1 1 392.414 1.375 20 0 GDADMM CC[C@@H]1C[C@H]1C(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCC1(F)F ZINC001571309210 946443246 /nfs/dbraw/zinc/44/32/46/946443246.db2.gz XOKYYEWEBUCWEZ-IJLUTSLNSA-N -1 1 392.414 1.281 20 0 GDADMM CC[C@@H]1C[C@H]1C(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCC1(F)F ZINC001571309210 946443254 /nfs/dbraw/zinc/44/32/54/946443254.db2.gz XOKYYEWEBUCWEZ-IJLUTSLNSA-N -1 1 392.414 1.281 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)[C@H]1CCCC(F)(F)C1 ZINC001571309538 946446552 /nfs/dbraw/zinc/44/65/52/946446552.db2.gz CSMGYNIAWFEBTN-SRVKXCTJSA-N -1 1 392.414 1.789 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)[C@H]1CCCC(F)(F)C1 ZINC001571309538 946446556 /nfs/dbraw/zinc/44/65/56/946446556.db2.gz CSMGYNIAWFEBTN-SRVKXCTJSA-N -1 1 392.414 1.789 20 0 GDADMM COc1ncc(NC(=O)N(C)CCNC(=O)OC(C)(C)C)cc1-c1nn[n-]n1 ZINC001571309513 946447141 /nfs/dbraw/zinc/44/71/41/946447141.db2.gz CFGOTGBTXNTIGP-UHFFFAOYSA-N -1 1 392.420 1.259 20 0 GDADMM O=C(NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)c1ccc2c(c1)COC2 ZINC001571309555 946447429 /nfs/dbraw/zinc/44/74/29/946447429.db2.gz DDPIUQUEWXDUOQ-HNNXBMFYSA-N -1 1 392.423 1.086 20 0 GDADMM O=C(CC1CC(F)(F)C1)N[C@@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571310125 946464175 /nfs/dbraw/zinc/46/41/75/946464175.db2.gz VYMGCUQXGOSMIS-NWDGAFQWSA-N -1 1 392.414 1.931 20 0 GDADMM O=C(CC1CC(F)(F)C1)N[C@@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571310125 946464182 /nfs/dbraw/zinc/46/41/82/946464182.db2.gz VYMGCUQXGOSMIS-NWDGAFQWSA-N -1 1 392.414 1.931 20 0 GDADMM CC(=O)N[C@@H]1C[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)Oc2ccccc21 ZINC001571310134 946464595 /nfs/dbraw/zinc/46/45/95/946464595.db2.gz WEXIOECSBGMGAA-AUUYWEPGSA-N -1 1 392.423 1.266 20 0 GDADMM CC(=O)N[C@@H]1C[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)Oc2ccccc21 ZINC001571310134 946464600 /nfs/dbraw/zinc/46/46/00/946464600.db2.gz WEXIOECSBGMGAA-AUUYWEPGSA-N -1 1 392.423 1.266 20 0 GDADMM O=C(NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)c1ccoc1C1CC1 ZINC001571310207 946466967 /nfs/dbraw/zinc/46/69/67/946466967.db2.gz YITICQFSIJJUFD-ZSOGYDGISA-N -1 1 392.423 1.239 20 0 GDADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC001571311016 946481058 /nfs/dbraw/zinc/48/10/58/946481058.db2.gz PUEIHSPROOZDPA-HOCLYGCPSA-N -1 1 392.467 1.938 20 0 GDADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC001571311016 946481066 /nfs/dbraw/zinc/48/10/66/946481066.db2.gz PUEIHSPROOZDPA-HOCLYGCPSA-N -1 1 392.467 1.938 20 0 GDADMM C[C@H](C(=O)N1CCC(C)(Nc2ccnc(-c3nn[n-]n3)n2)CC1)c1ccccc1 ZINC001571313323 946518520 /nfs/dbraw/zinc/51/85/20/946518520.db2.gz MOTHVFCOZILPLR-AWEZNQCLSA-N -1 1 392.467 1.675 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)Cc3ccccc3)[C@H](C)C2)n1 ZINC001571314689 946543217 /nfs/dbraw/zinc/54/32/17/946543217.db2.gz ADJHQOOJEHHADZ-ZBFHGGJFSA-N -1 1 392.467 1.999 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)Cc3ccccc3)[C@H](C)C2)n1 ZINC001571314689 946543225 /nfs/dbraw/zinc/54/32/25/946543225.db2.gz ADJHQOOJEHHADZ-ZBFHGGJFSA-N -1 1 392.467 1.999 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)c(C)c1 ZINC001571314994 946547829 /nfs/dbraw/zinc/54/78/29/946547829.db2.gz GAWDBNZIOOXIGV-HOCLYGCPSA-N -1 1 392.467 1.706 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](NC(=O)Cc3ccccc3)C(C)(C)C2)n1 ZINC001571314938 946548632 /nfs/dbraw/zinc/54/86/32/946548632.db2.gz DVXGNHWFKSMMLA-INIZCTEOSA-N -1 1 392.467 1.539 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](NC(=O)Cc3ccccc3)C(C)(C)C2)n1 ZINC001571314938 946548644 /nfs/dbraw/zinc/54/86/44/946548644.db2.gz DVXGNHWFKSMMLA-INIZCTEOSA-N -1 1 392.467 1.539 20 0 GDADMM Cc1cccc([C@@H](C)C(=O)N2CC[C@@H](N(C)c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571315831 946561221 /nfs/dbraw/zinc/56/12/21/946561221.db2.gz PAMYLVDZKOKGGI-GDBMZVCRSA-N -1 1 392.467 1.806 20 0 GDADMM Cc1cccc([C@@H](C)C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571316182 946569794 /nfs/dbraw/zinc/56/97/94/946569794.db2.gz VPLTZKPUYWEURW-ZBFHGGJFSA-N -1 1 392.467 1.854 20 0 GDADMM Cc1cccc([C@@H](C)C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571316182 946569797 /nfs/dbraw/zinc/56/97/97/946569797.db2.gz VPLTZKPUYWEURW-ZBFHGGJFSA-N -1 1 392.467 1.854 20 0 GDADMM Cc1cc(C)c(CC(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)c(C)c1 ZINC001571316321 946573584 /nfs/dbraw/zinc/57/35/84/946573584.db2.gz ZQGABLVLUWKQFF-HNNXBMFYSA-N -1 1 392.467 1.520 20 0 GDADMM Cc1cc(C)c(CC(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)c(C)c1 ZINC001571316321 946573589 /nfs/dbraw/zinc/57/35/89/946573589.db2.gz ZQGABLVLUWKQFF-HNNXBMFYSA-N -1 1 392.467 1.520 20 0 GDADMM Cc1cccc(CCC(=O)N2C[C@H](C)[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571316664 946584442 /nfs/dbraw/zinc/58/44/42/946584442.db2.gz JIKXZLZKUUESPY-WMLDXEAASA-N -1 1 392.467 1.857 20 0 GDADMM Cc1cccc(CCC(=O)N2C[C@H](C)[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571316664 946584446 /nfs/dbraw/zinc/58/44/46/946584446.db2.gz JIKXZLZKUUESPY-WMLDXEAASA-N -1 1 392.467 1.857 20 0 GDADMM CC(=O)Nc1ccc2c(c1)CN(C(=O)Nc1cccc(-c3nnn[n-]3)n1)CC2 ZINC001573546621 946813864 /nfs/dbraw/zinc/81/38/64/946813864.db2.gz IIIVVESUUBHIAI-UHFFFAOYSA-N -1 1 378.396 1.810 20 0 GDADMM CC(=O)Nc1ccc2c(c1)CN(C(=O)Nc1cccc(-c3nn[n-]n3)n1)CC2 ZINC001573546621 946813875 /nfs/dbraw/zinc/81/38/75/946813875.db2.gz IIIVVESUUBHIAI-UHFFFAOYSA-N -1 1 378.396 1.810 20 0 GDADMM CC(=O)c1cc(C(=O)Nc2ccc(Br)c(-c3nnn[n-]3)n2)n(C)c1 ZINC001573552650 946878937 /nfs/dbraw/zinc/87/89/37/946878937.db2.gz AAJZDQSUCUDBSW-UHFFFAOYSA-N -1 1 390.201 1.818 20 0 GDADMM CC(=O)c1cc(C(=O)Nc2ccc(Br)c(-c3nn[n-]n3)n2)n(C)c1 ZINC001573552650 946878948 /nfs/dbraw/zinc/87/89/48/946878948.db2.gz AAJZDQSUCUDBSW-UHFFFAOYSA-N -1 1 390.201 1.818 20 0 GDADMM CC(=O)c1cccc(CNS(=O)(=O)Cc2csc(-c3nn[n-]n3)c2)c1 ZINC001573556153 946925181 /nfs/dbraw/zinc/92/51/81/946925181.db2.gz YPAGCHZPERSVEI-UHFFFAOYSA-N -1 1 377.451 1.750 20 0 GDADMM C[C@@H]1COc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825015018 947045055 /nfs/dbraw/zinc/04/50/55/947045055.db2.gz YZXZYNQHWXJXIN-LLVKDONJSA-N -1 1 389.412 1.978 20 0 GDADMM CC[C@@](C)(CCCNC(=O)Cc1noc(C)c1-c1nnn[n-]1)C1OCCO1 ZINC000825044408 947058403 /nfs/dbraw/zinc/05/84/03/947058403.db2.gz PYIVVQIUTUJOSQ-KRWDZBQOSA-N -1 1 378.433 1.391 20 0 GDADMM CC[C@@](C)(CCCNC(=O)Cc1noc(C)c1-c1nn[n-]n1)C1OCCO1 ZINC000825044408 947058414 /nfs/dbraw/zinc/05/84/14/947058414.db2.gz PYIVVQIUTUJOSQ-KRWDZBQOSA-N -1 1 378.433 1.391 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)N[C@H](C)c2cccs2)c1-c1nn[n-]n1 ZINC000825565842 947227771 /nfs/dbraw/zinc/22/77/71/947227771.db2.gz YYHNAYRWOVEUPQ-SECBINFHSA-N -1 1 375.414 1.179 20 0 GDADMM C=C/C(C)=C/CC(=O)NCC1[C@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@@H]12 ZINC001573316062 947265377 /nfs/dbraw/zinc/26/53/77/947265377.db2.gz GCQVMGNWRZJARV-YQFSWQHDSA-N -1 1 380.456 1.286 20 0 GDADMM C=C/C(C)=C/CC(=O)NCC1[C@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@@H]12 ZINC001573316062 947265385 /nfs/dbraw/zinc/26/53/85/947265385.db2.gz GCQVMGNWRZJARV-YQFSWQHDSA-N -1 1 380.456 1.286 20 0 GDADMM C=C/C(C)=C/CC(=O)NC[C@@H]1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573317797 947298639 /nfs/dbraw/zinc/29/86/39/947298639.db2.gz PQNCWVKUFOGSOR-COSNYCCFSA-N -1 1 382.472 1.820 20 0 GDADMM C=C/C(C)=C/CC(=O)NC[C@@H]1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573317797 947298648 /nfs/dbraw/zinc/29/86/48/947298648.db2.gz PQNCWVKUFOGSOR-COSNYCCFSA-N -1 1 382.472 1.820 20 0 GDADMM C[C@H](C(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1)[C@H]1CCCO1 ZINC001573592049 947327660 /nfs/dbraw/zinc/32/76/60/947327660.db2.gz IHDZOVLIEJLXEG-SMDDNHRTSA-N -1 1 376.486 1.386 20 0 GDADMM C[C@@H](C(=O)N(C)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cccs1 ZINC001573594333 947391873 /nfs/dbraw/zinc/39/18/73/947391873.db2.gz XZOSCSIBMHIARL-NEPJUHHUSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@@H](C(=O)N(C)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cccs1 ZINC001573594333 947391885 /nfs/dbraw/zinc/39/18/85/947391885.db2.gz XZOSCSIBMHIARL-NEPJUHHUSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@@H](C(=O)N(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)n1cccc1 ZINC001573594562 947400736 /nfs/dbraw/zinc/40/07/36/947400736.db2.gz QLHSFCKXHZWQLU-SWLSCSKDSA-N -1 1 381.444 1.368 20 0 GDADMM C[C@@H](C(=O)N(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)n1cccc1 ZINC001573594562 947400745 /nfs/dbraw/zinc/40/07/45/947400745.db2.gz QLHSFCKXHZWQLU-SWLSCSKDSA-N -1 1 381.444 1.368 20 0 GDADMM COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000826103280 947427997 /nfs/dbraw/zinc/42/79/97/947427997.db2.gz FMJRPQLWMXDTAS-GFCCVEGCSA-N -1 1 398.423 1.544 20 0 GDADMM COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000826103280 947428003 /nfs/dbraw/zinc/42/80/03/947428003.db2.gz FMJRPQLWMXDTAS-GFCCVEGCSA-N -1 1 398.423 1.544 20 0 GDADMM CO[C@@H]1CCCN(C(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)CC1 ZINC000826146558 947465963 /nfs/dbraw/zinc/46/59/63/947465963.db2.gz XRKDLMKKFJVJPT-CQSZACIVSA-N -1 1 398.471 1.486 20 0 GDADMM CO[C@@H]1CCCN(C(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)CC1 ZINC000826146558 947465969 /nfs/dbraw/zinc/46/59/69/947465969.db2.gz XRKDLMKKFJVJPT-CQSZACIVSA-N -1 1 398.471 1.486 20 0 GDADMM C[C@H](C(=O)N(C)c1ccccc1Br)n1cnc(-c2nn[n-]n2)n1 ZINC001573603616 947491250 /nfs/dbraw/zinc/49/12/50/947491250.db2.gz INYVDHHUIOICAQ-MRVPVSSYSA-N -1 1 377.206 1.445 20 0 GDADMM C[C@@H](C(=O)N(C)c1ccccc1Br)n1cnc(-c2nn[n-]n2)n1 ZINC001573603617 947491881 /nfs/dbraw/zinc/49/18/81/947491881.db2.gz INYVDHHUIOICAQ-QMMMGPOBSA-N -1 1 377.206 1.445 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)C1CCC1 ZINC001573613478 947563670 /nfs/dbraw/zinc/56/36/70/947563670.db2.gz AZPMGZYOBYJRJZ-AEGPPILISA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)C1CCC1 ZINC001573613478 947563681 /nfs/dbraw/zinc/56/36/81/947563681.db2.gz AZPMGZYOBYJRJZ-AEGPPILISA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1)C(C)(F)F ZINC001573613625 947567269 /nfs/dbraw/zinc/56/72/69/947567269.db2.gz DZSCNJJVCZEGTQ-SDDRHHMPSA-N -1 1 392.414 1.518 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)C(C)(F)F ZINC001573613625 947567273 /nfs/dbraw/zinc/56/72/73/947567273.db2.gz DZSCNJJVCZEGTQ-SDDRHHMPSA-N -1 1 392.414 1.518 20 0 GDADMM COc1ccc(CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)c(OC)c1OC ZINC000826197160 947595692 /nfs/dbraw/zinc/59/56/92/947595692.db2.gz CCCVTPOYMYMZNF-UHFFFAOYSA-N -1 1 388.384 1.048 20 0 GDADMM COc1ccc(CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)c(OC)c1OC ZINC000826197160 947595701 /nfs/dbraw/zinc/59/57/01/947595701.db2.gz CCCVTPOYMYMZNF-UHFFFAOYSA-N -1 1 388.384 1.048 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)c1cccnc1 ZINC001573614875 947595812 /nfs/dbraw/zinc/59/58/12/947595812.db2.gz AYDLHIAGFXQDFW-QWHCGFSZSA-N -1 1 379.428 1.116 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)c1cccnc1 ZINC001573614875 947595819 /nfs/dbraw/zinc/59/58/19/947595819.db2.gz AYDLHIAGFXQDFW-QWHCGFSZSA-N -1 1 379.428 1.116 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CN(C)c2ccnc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573615701 947610751 /nfs/dbraw/zinc/61/07/51/947610751.db2.gz JUUIBBBCZZSPGY-UONOGXRCSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C(=O)N1CCC(N(C)c2nccnc2-c2nnn[n-]2)CC1)=C1CCCC1 ZINC001573616370 947622141 /nfs/dbraw/zinc/62/21/41/947622141.db2.gz IIAJFTHTHYOFBN-UHFFFAOYSA-N -1 1 382.472 1.974 20 0 GDADMM CC(C(=O)N1CCC(N(C)c2nccnc2-c2nn[n-]n2)CC1)=C1CCCC1 ZINC001573616370 947622149 /nfs/dbraw/zinc/62/21/49/947622149.db2.gz IIAJFTHTHYOFBN-UHFFFAOYSA-N -1 1 382.472 1.974 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573616927 947631203 /nfs/dbraw/zinc/63/12/03/947631203.db2.gz ZGJTZLYRWXXHHH-YJYMSZOUSA-N -1 1 384.488 1.555 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001573354607 947634656 /nfs/dbraw/zinc/63/46/56/947634656.db2.gz FKUPGFYNTUWAJC-AWEZNQCLSA-N -1 1 376.424 1.556 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001573354607 947634660 /nfs/dbraw/zinc/63/46/60/947634660.db2.gz FKUPGFYNTUWAJC-AWEZNQCLSA-N -1 1 376.424 1.556 20 0 GDADMM C=Cc1ccc(C(=O)N2C[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]3C2)cc1 ZINC001573354786 947635950 /nfs/dbraw/zinc/63/59/50/947635950.db2.gz HQLQFQYEFDOBDQ-IYBDPMFKSA-N -1 1 388.435 1.508 20 0 GDADMM C=Cc1ccc(C(=O)N2C[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]3C2)cc1 ZINC001573354786 947635956 /nfs/dbraw/zinc/63/59/56/947635956.db2.gz HQLQFQYEFDOBDQ-IYBDPMFKSA-N -1 1 388.435 1.508 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C2CC2)cc1 ZINC001573354891 947639292 /nfs/dbraw/zinc/63/92/92/947639292.db2.gz JSAYFHACSBMQBY-HNNXBMFYSA-N -1 1 376.424 1.920 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C2CC2)cc1 ZINC001573354891 947639296 /nfs/dbraw/zinc/63/92/96/947639296.db2.gz JSAYFHACSBMQBY-HNNXBMFYSA-N -1 1 376.424 1.920 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001573356580 947650690 /nfs/dbraw/zinc/65/06/90/947650690.db2.gz YGIBVJNTGVNJOB-OAHLLOKOSA-N -1 1 376.424 1.699 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001573356580 947650693 /nfs/dbraw/zinc/65/06/93/947650693.db2.gz YGIBVJNTGVNJOB-OAHLLOKOSA-N -1 1 376.424 1.699 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1ccsc1 ZINC001573619210 947660160 /nfs/dbraw/zinc/66/01/60/947660160.db2.gz USZADKPBLPHSFO-RYUDHWBXSA-N -1 1 384.469 1.782 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1ccsc1 ZINC001573619210 947660166 /nfs/dbraw/zinc/66/01/66/947660166.db2.gz USZADKPBLPHSFO-RYUDHWBXSA-N -1 1 384.469 1.782 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1)c1ccsc1 ZINC001573619145 947660931 /nfs/dbraw/zinc/66/09/31/947660931.db2.gz UIJRBIFTNXMAKD-DGCLKSJQSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1)c1ccsc1 ZINC001573619145 947660938 /nfs/dbraw/zinc/66/09/38/947660938.db2.gz UIJRBIFTNXMAKD-DGCLKSJQSA-N -1 1 384.469 1.559 20 0 GDADMM C=Cc1ccc(C(=O)NCCN(CCC)c2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001573358692 947668914 /nfs/dbraw/zinc/66/89/14/947668914.db2.gz ICRMZCGSKUMOCF-UHFFFAOYSA-N -1 1 378.440 1.946 20 0 GDADMM C=Cc1ccc(C(=O)NCCN(CCC)c2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001573358692 947668918 /nfs/dbraw/zinc/66/89/18/947668918.db2.gz ICRMZCGSKUMOCF-UHFFFAOYSA-N -1 1 378.440 1.946 20 0 GDADMM C[C@@H](C(=O)N1CCC(CNc2cncc(-c3nnn[n-]3)n2)CC1)n1cccc1 ZINC001573619726 947669115 /nfs/dbraw/zinc/66/91/15/947669115.db2.gz XMZXVVRPHLQFKH-ZDUSSCGKSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@@H](C(=O)N1CCC(CNc2cncc(-c3nn[n-]n3)n2)CC1)n1cccc1 ZINC001573619726 947669124 /nfs/dbraw/zinc/66/91/24/947669124.db2.gz XMZXVVRPHLQFKH-ZDUSSCGKSA-N -1 1 381.444 1.370 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCC2([C@@H](C)CCO)CCC2)cc1-c1nn[n-]n1 ZINC000826229485 947672507 /nfs/dbraw/zinc/67/25/07/947672507.db2.gz GGWJXIFPCBODJP-JTQLQIEISA-N -1 1 392.485 1.608 20 0 GDADMM C=Cc1ccc(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573358910 947673952 /nfs/dbraw/zinc/67/39/52/947673952.db2.gz MGYACONSEJRABR-HNNXBMFYSA-N -1 1 376.424 1.699 20 0 GDADMM C[C@@H](C(=O)N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1)c1ccsc1 ZINC001573625151 947699816 /nfs/dbraw/zinc/69/98/16/947699816.db2.gz NIBRWGBQXVQBQB-LLVKDONJSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@@H](C(=O)N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1)c1ccsc1 ZINC001573625151 947699822 /nfs/dbraw/zinc/69/98/22/947699822.db2.gz NIBRWGBQXVQBQB-LLVKDONJSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)c1ccco1 ZINC001573627729 947731940 /nfs/dbraw/zinc/73/19/40/947731940.db2.gz BFHAFHFUMIXYMY-OLZOCXBDSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)c1ccco1 ZINC001573627729 947731949 /nfs/dbraw/zinc/73/19/49/947731949.db2.gz BFHAFHFUMIXYMY-OLZOCXBDSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573627725 947732258 /nfs/dbraw/zinc/73/22/58/947732258.db2.gz FRYVVLQQJABLRR-HIFRSBDPSA-N -1 1 384.488 1.698 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cccs1 ZINC001573628000 947744120 /nfs/dbraw/zinc/74/41/20/947744120.db2.gz DYARCSNWXCWCSC-NEPJUHHUSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cccs1 ZINC001573628000 947744142 /nfs/dbraw/zinc/74/41/42/947744142.db2.gz DYARCSNWXCWCSC-NEPJUHHUSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](CNc2nccnc2-c2nnn[n-]2)C1)C(C)(F)F ZINC001573628130 947744908 /nfs/dbraw/zinc/74/49/08/947744908.db2.gz FLMUGRMZFRVMES-GHMZBOCLSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](CNc2nccnc2-c2nn[n-]n2)C1)C(C)(F)F ZINC001573628130 947744919 /nfs/dbraw/zinc/74/49/19/947744919.db2.gz FLMUGRMZFRVMES-GHMZBOCLSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573628206 947748278 /nfs/dbraw/zinc/74/82/78/947748278.db2.gz GJRJGNYZZFRRLF-GHMZBOCLSA-N -1 1 380.403 1.020 20 0 GDADMM CC(=O)CCCC(=O)N(C)C[C@@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001573367213 947756275 /nfs/dbraw/zinc/75/62/75/947756275.db2.gz AQIWTQZECIRWBJ-MRVPVSSYSA-N -1 1 385.881 1.995 20 0 GDADMM CC(=O)CCCC(=O)N(C)C[C@@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001573367213 947756281 /nfs/dbraw/zinc/75/62/81/947756281.db2.gz AQIWTQZECIRWBJ-MRVPVSSYSA-N -1 1 385.881 1.995 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]2[C@H]1CCN2c1nccnc1-c1nnn[n-]1)C(C)(F)F ZINC001573628538 947757302 /nfs/dbraw/zinc/75/73/02/947757302.db2.gz MSKVCHRUBIRQHQ-GRYCIOLGSA-N -1 1 392.414 1.518 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]2[C@H]1CCN2c1nccnc1-c1nn[n-]n1)C(C)(F)F ZINC001573628538 947757311 /nfs/dbraw/zinc/75/73/11/947757311.db2.gz MSKVCHRUBIRQHQ-GRYCIOLGSA-N -1 1 392.414 1.518 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)C1CCCC1 ZINC001573628864 947765167 /nfs/dbraw/zinc/76/51/67/947765167.db2.gz KTFDEAMABTYMQH-HIFRSBDPSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573628864 947765172 /nfs/dbraw/zinc/76/51/72/947765172.db2.gz KTFDEAMABTYMQH-HIFRSBDPSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1cncc(-c2nnn[n-]2)n1)c1ccco1 ZINC001573628903 947767168 /nfs/dbraw/zinc/76/71/68/947767168.db2.gz PBHFPRFVYVGAML-STQMWFEESA-N -1 1 382.428 1.481 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1cncc(-c2nn[n-]n2)n1)c1ccco1 ZINC001573628903 947767174 /nfs/dbraw/zinc/76/71/74/947767174.db2.gz PBHFPRFVYVGAML-STQMWFEESA-N -1 1 382.428 1.481 20 0 GDADMM C[C@H](C(=O)N1CC[C@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1)C1CCC1 ZINC001573629033 947770571 /nfs/dbraw/zinc/77/05/71/947770571.db2.gz LRMWINUBYYWUAD-DJJJIMSYSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H](C(=O)N1CC[C@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1)C1CCC1 ZINC001573629033 947770577 /nfs/dbraw/zinc/77/05/77/947770577.db2.gz LRMWINUBYYWUAD-DJJJIMSYSA-N -1 1 382.472 1.522 20 0 GDADMM Cc1onc(CC(=O)N[C@H]2CCCN(c3ccc(F)cc3C)C2)c1-c1nnn[n-]1 ZINC000826268644 947775589 /nfs/dbraw/zinc/77/55/89/947775589.db2.gz HJJQKZCTGZBZGM-AWEZNQCLSA-N -1 1 399.430 1.938 20 0 GDADMM Cc1onc(CC(=O)N[C@H]2CCCN(c3ccc(F)cc3C)C2)c1-c1nn[n-]n1 ZINC000826268644 947775594 /nfs/dbraw/zinc/77/55/94/947775594.db2.gz HJJQKZCTGZBZGM-AWEZNQCLSA-N -1 1 399.430 1.938 20 0 GDADMM CC(=O)CCCC(=O)N(CCN(C)c1nc(C)cc(-c2nnn[n-]2)n1)C(C)C ZINC001573369901 947778516 /nfs/dbraw/zinc/77/85/16/947778516.db2.gz ZGNIRKYVBQPOKR-UHFFFAOYSA-N -1 1 388.476 1.398 20 0 GDADMM CC(=O)CCCC(=O)N(CCN(C)c1nc(C)cc(-c2nn[n-]n2)n1)C(C)C ZINC001573369901 947778525 /nfs/dbraw/zinc/77/85/25/947778525.db2.gz ZGNIRKYVBQPOKR-UHFFFAOYSA-N -1 1 388.476 1.398 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1)C(F)(F)F ZINC001573629804 947784556 /nfs/dbraw/zinc/78/45/56/947784556.db2.gz VTETULFVEUKDNT-ZJUUUORDSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1)C(F)(F)F ZINC001573629804 947784561 /nfs/dbraw/zinc/78/45/61/947784561.db2.gz VTETULFVEUKDNT-ZJUUUORDSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]2[C@H]1CCN2c1ccnc(-c2nn[n-]n2)n1)C1CCC1 ZINC001573630558 947792530 /nfs/dbraw/zinc/79/25/30/947792530.db2.gz YQSGKKPIVQIEJO-AEGPPILISA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001573630516 947793254 /nfs/dbraw/zinc/79/32/54/947793254.db2.gz YJQUOLDXSJGASW-WDEREUQCSA-N -1 1 380.403 1.375 20 0 GDADMM CC(=O)CCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001573373934 947801858 /nfs/dbraw/zinc/80/18/58/947801858.db2.gz GZNMXHHCFUGEKF-AGUYFDCRSA-N -1 1 384.444 1.032 20 0 GDADMM CC(=O)CCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001573373934 947801863 /nfs/dbraw/zinc/80/18/63/947801863.db2.gz GZNMXHHCFUGEKF-AGUYFDCRSA-N -1 1 384.444 1.032 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C12CCC2 ZINC001573375003 947814269 /nfs/dbraw/zinc/81/42/69/947814269.db2.gz LPJIYIRTLHULTA-STQMWFEESA-N -1 1 384.444 1.255 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C12CCC2 ZINC001573375003 947814277 /nfs/dbraw/zinc/81/42/77/947814277.db2.gz LPJIYIRTLHULTA-STQMWFEESA-N -1 1 384.444 1.255 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CCC[C@@H]1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573375863 947827523 /nfs/dbraw/zinc/82/75/23/947827523.db2.gz QUTQZUKTLRCARS-ZIAGYGMSSA-N -1 1 386.460 1.421 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CCC[C@@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573375863 947827530 /nfs/dbraw/zinc/82/75/30/947827530.db2.gz QUTQZUKTLRCARS-ZIAGYGMSSA-N -1 1 386.460 1.421 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cccnc1 ZINC001573638405 947837840 /nfs/dbraw/zinc/83/78/40/947837840.db2.gz MVAJEUCOJJGXSX-JSGCOSHPSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cccnc1 ZINC001573638405 947837846 /nfs/dbraw/zinc/83/78/46/947837846.db2.gz MVAJEUCOJJGXSX-JSGCOSHPSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@H](C(=O)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)c1cccc(F)c1 ZINC001573641594 947857394 /nfs/dbraw/zinc/85/73/94/947857394.db2.gz MBNOHNHKKBZKSL-LBPRGKRZSA-N -1 1 382.403 1.248 20 0 GDADMM CC(=O)CCCC(=O)NC[C@@H](C)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001573380516 947861447 /nfs/dbraw/zinc/86/14/47/947861447.db2.gz DQNQXYIBTVUKNF-MRVPVSSYSA-N -1 1 385.881 1.677 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](C)[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573647436 947894291 /nfs/dbraw/zinc/89/42/91/947894291.db2.gz LABXWHKJGUYVTP-UMVBOHGHSA-N -1 1 384.488 1.411 20 0 GDADMM C[C@H](C(=O)N[C@](C)(CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)C(C)(F)F ZINC001573652580 947941476 /nfs/dbraw/zinc/94/14/76/947941476.db2.gz DURUPEKEZCBDHY-RFAUZJTJSA-N -1 1 380.403 1.067 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)c1cccs1 ZINC001573653388 947956149 /nfs/dbraw/zinc/95/61/49/947956149.db2.gz LFYVLFPDMYKXER-PWSUYJOCSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)c1cccs1 ZINC001573653388 947956157 /nfs/dbraw/zinc/95/61/57/947956157.db2.gz LFYVLFPDMYKXER-PWSUYJOCSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)c1cccs1 ZINC001573654256 947963164 /nfs/dbraw/zinc/96/31/64/947963164.db2.gz QGEBJCXXFQZIBH-PWSUYJOCSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)c1cccs1 ZINC001573654256 947963169 /nfs/dbraw/zinc/96/31/69/947963169.db2.gz QGEBJCXXFQZIBH-PWSUYJOCSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C(C)(C)C)C(C)(F)F ZINC001573654233 947964377 /nfs/dbraw/zinc/96/43/77/947964377.db2.gz PTWQXYIHFFJETM-UWVGGRQHSA-N -1 1 382.419 1.891 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C(C)(C)C)C(C)(F)F ZINC001573654233 947964382 /nfs/dbraw/zinc/96/43/82/947964382.db2.gz PTWQXYIHFFJETM-UWVGGRQHSA-N -1 1 382.419 1.891 20 0 GDADMM C[C@@H](C(=O)NC1(C)CCN(c2nccnc2-c2nnn[n-]2)CC1)C(C)(F)F ZINC001573656175 947986049 /nfs/dbraw/zinc/98/60/49/947986049.db2.gz CVNRKQJYHIVTNL-JTQLQIEISA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](C(=O)NC1(C)CCN(c2nccnc2-c2nn[n-]n2)CC1)C(C)(F)F ZINC001573656175 947986055 /nfs/dbraw/zinc/98/60/55/947986055.db2.gz CVNRKQJYHIVTNL-JTQLQIEISA-N -1 1 380.403 1.423 20 0 GDADMM Cc1onc(CC(=O)N2CCC(c3nnc4ccccn43)CC2)c1-c1nnn[n-]1 ZINC000826343507 947991174 /nfs/dbraw/zinc/99/11/74/947991174.db2.gz DCSWBOUYHYQAAS-UHFFFAOYSA-N -1 1 393.411 1.155 20 0 GDADMM Cc1onc(CC(=O)N2CCC(c3nnc4ccccn43)CC2)c1-c1nn[n-]n1 ZINC000826343507 947991182 /nfs/dbraw/zinc/99/11/82/947991182.db2.gz DCSWBOUYHYQAAS-UHFFFAOYSA-N -1 1 393.411 1.155 20 0 GDADMM Cc1onc(CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1-c1nnn[n-]1 ZINC000826343968 947999398 /nfs/dbraw/zinc/99/93/98/947999398.db2.gz SPCWRXDFGCJKAT-UHFFFAOYSA-N -1 1 395.423 1.583 20 0 GDADMM Cc1onc(CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1-c1nn[n-]n1 ZINC000826343968 947999405 /nfs/dbraw/zinc/99/94/05/947999405.db2.gz SPCWRXDFGCJKAT-UHFFFAOYSA-N -1 1 395.423 1.583 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@H](CC(=O)OC(C)(C)C)C2)c1-c1nnn[n-]1 ZINC000826344386 948006491 /nfs/dbraw/zinc/00/64/91/948006491.db2.gz GMRUXKVQDJWBRE-GFCCVEGCSA-N -1 1 390.444 1.676 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@H](CC(=O)OC(C)(C)C)C2)c1-c1nn[n-]n1 ZINC000826344386 948006502 /nfs/dbraw/zinc/00/65/02/948006502.db2.gz GMRUXKVQDJWBRE-GFCCVEGCSA-N -1 1 390.444 1.676 20 0 GDADMM C[C@@H](C(=O)NC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C(F)(F)F ZINC001573659436 948013271 /nfs/dbraw/zinc/01/32/71/948013271.db2.gz VQZARWZQNRMBAM-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](C(=O)NC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C(F)(F)F ZINC001573659436 948013281 /nfs/dbraw/zinc/01/32/81/948013281.db2.gz VQZARWZQNRMBAM-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](C)c2nc(Cc3ccccc3)no2)c1-c1nnn[n-]1 ZINC000826345246 948021044 /nfs/dbraw/zinc/02/10/44/948021044.db2.gz HEZRWAQGWQIIGN-JTQLQIEISA-N -1 1 394.395 1.557 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](C)c2nc(Cc3ccccc3)no2)c1-c1nn[n-]n1 ZINC000826345246 948021049 /nfs/dbraw/zinc/02/10/49/948021049.db2.gz HEZRWAQGWQIIGN-JTQLQIEISA-N -1 1 394.395 1.557 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2)C(C)(C)C ZINC001573663738 948039351 /nfs/dbraw/zinc/03/93/51/948039351.db2.gz PFZZQSRGZKAXRW-JSGCOSHPSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2)C(C)(C)C ZINC001573663738 948039357 /nfs/dbraw/zinc/03/93/57/948039357.db2.gz PFZZQSRGZKAXRW-JSGCOSHPSA-N -1 1 384.488 1.814 20 0 GDADMM Cc1onc(CC(=O)NC[C@@H](C)Oc2ccc(Cl)cc2)c1-c1nnn[n-]1 ZINC000826346835 948045317 /nfs/dbraw/zinc/04/53/17/948045317.db2.gz WVGKFBBEUOYSIP-SECBINFHSA-N -1 1 376.804 1.943 20 0 GDADMM Cc1onc(CC(=O)NC[C@@H](C)Oc2ccc(Cl)cc2)c1-c1nn[n-]n1 ZINC000826346835 948045327 /nfs/dbraw/zinc/04/53/27/948045327.db2.gz WVGKFBBEUOYSIP-SECBINFHSA-N -1 1 376.804 1.943 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2)C(C)(F)F ZINC001573664054 948047151 /nfs/dbraw/zinc/04/71/51/948047151.db2.gz RMZUTRPWQCPOKO-CMPLNLGQSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2)C(C)(F)F ZINC001573664054 948047158 /nfs/dbraw/zinc/04/71/58/948047158.db2.gz RMZUTRPWQCPOKO-CMPLNLGQSA-N -1 1 392.414 1.423 20 0 GDADMM Cc1onc(CC(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)c1-c1nnn[n-]1 ZINC000826347056 948047730 /nfs/dbraw/zinc/04/77/30/948047730.db2.gz CUELRLICNJLSBT-LBPRGKRZSA-N -1 1 397.222 1.862 20 0 GDADMM Cc1onc(CC(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)c1-c1nn[n-]n1 ZINC000826347056 948047738 /nfs/dbraw/zinc/04/77/38/948047738.db2.gz CUELRLICNJLSBT-LBPRGKRZSA-N -1 1 397.222 1.862 20 0 GDADMM Cc1onc(CC(=O)NCC[C@H](C)NC(=O)OC(C)(C)C)c1-c1nnn[n-]1 ZINC000826347548 948056870 /nfs/dbraw/zinc/05/68/70/948056870.db2.gz UZKXGQMJKFMGII-VIFPVBQESA-N -1 1 379.421 1.125 20 0 GDADMM Cc1onc(CC(=O)NCC[C@H](C)NC(=O)OC(C)(C)C)c1-c1nn[n-]n1 ZINC000826347548 948056878 /nfs/dbraw/zinc/05/68/78/948056878.db2.gz UZKXGQMJKFMGII-VIFPVBQESA-N -1 1 379.421 1.125 20 0 GDADMM Cc1onc(CC(=O)NCc2c(F)cccc2OC(F)F)c1-c1nnn[n-]1 ZINC000826347749 948060180 /nfs/dbraw/zinc/06/01/80/948060180.db2.gz DDGWAVXRPHJMHO-UHFFFAOYSA-N -1 1 382.302 1.763 20 0 GDADMM Cc1onc(CC(=O)NCc2c(F)cccc2OC(F)F)c1-c1nn[n-]n1 ZINC000826347749 948060190 /nfs/dbraw/zinc/06/01/90/948060190.db2.gz DDGWAVXRPHJMHO-UHFFFAOYSA-N -1 1 382.302 1.763 20 0 GDADMM C[C@H](C(=O)NC1(CNc2nccnc2-c2nnn[n-]2)CCCC1)C(F)(F)F ZINC001573664955 948064907 /nfs/dbraw/zinc/06/49/07/948064907.db2.gz ZESIAVQEHCPGDF-SECBINFHSA-N -1 1 384.366 1.696 20 0 GDADMM C[C@H](C(=O)NC1(CNc2nccnc2-c2nn[n-]n2)CCCC1)C(F)(F)F ZINC001573664955 948064916 /nfs/dbraw/zinc/06/49/16/948064916.db2.gz ZESIAVQEHCPGDF-SECBINFHSA-N -1 1 384.366 1.696 20 0 GDADMM Cc1onc(CC(=O)NCCc2nc3ccccc3n2C(C)C)c1-c1nnn[n-]1 ZINC000826348025 948066427 /nfs/dbraw/zinc/06/64/27/948066427.db2.gz QLYAQVHWKARXQH-UHFFFAOYSA-N -1 1 394.439 1.995 20 0 GDADMM Cc1onc(CC(=O)NCCc2nc3ccccc3n2C(C)C)c1-c1nn[n-]n1 ZINC000826348025 948066436 /nfs/dbraw/zinc/06/64/36/948066436.db2.gz QLYAQVHWKARXQH-UHFFFAOYSA-N -1 1 394.439 1.995 20 0 GDADMM C[C@@H](C(=O)NC1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1)C(C)(F)F ZINC001573665061 948066954 /nfs/dbraw/zinc/06/69/54/948066954.db2.gz ICJPIKUFQHSUBU-WHXUTIOJSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@@H](C(=O)NC1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1)C(C)(F)F ZINC001573665061 948066964 /nfs/dbraw/zinc/06/69/64/948066964.db2.gz ICJPIKUFQHSUBU-WHXUTIOJSA-N -1 1 380.403 1.787 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(N3CCSCC3)cc2)c1-c1nnn[n-]1 ZINC000826348671 948078419 /nfs/dbraw/zinc/07/84/19/948078419.db2.gz YDJIGPUOWCCMGI-UHFFFAOYSA-N -1 1 385.453 1.898 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(N3CCSCC3)cc2)c1-c1nn[n-]n1 ZINC000826348671 948078424 /nfs/dbraw/zinc/07/84/24/948078424.db2.gz YDJIGPUOWCCMGI-UHFFFAOYSA-N -1 1 385.453 1.898 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2)C1CCC1 ZINC001573666825 948092980 /nfs/dbraw/zinc/09/29/80/948092980.db2.gz WNOFYHQIDOIENU-TZMCWYRMSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2)C1CCC1 ZINC001573666825 948092991 /nfs/dbraw/zinc/09/29/91/948092991.db2.gz WNOFYHQIDOIENU-TZMCWYRMSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001573667442 948099745 /nfs/dbraw/zinc/09/97/45/948099745.db2.gz ZRPFOPWYSPQJJP-RLAWYHOSSA-N -1 1 384.488 1.955 20 0 GDADMM C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573667442 948099757 /nfs/dbraw/zinc/09/97/57/948099757.db2.gz ZRPFOPWYSPQJJP-RLAWYHOSSA-N -1 1 384.488 1.955 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1)n1cccc1 ZINC001573667416 948100331 /nfs/dbraw/zinc/10/03/31/948100331.db2.gz ZLUGKLRHVHXIRT-KGLIPLIRSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1)n1cccc1 ZINC001573667416 948100338 /nfs/dbraw/zinc/10/03/38/948100338.db2.gz ZLUGKLRHVHXIRT-KGLIPLIRSA-N -1 1 381.444 1.195 20 0 GDADMM CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001573415284 948105048 /nfs/dbraw/zinc/10/50/48/948105048.db2.gz RFDQUXFJKHSBBT-SFHVURJKSA-N -1 1 389.419 1.842 20 0 GDADMM CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001573415284 948105051 /nfs/dbraw/zinc/10/50/51/948105051.db2.gz RFDQUXFJKHSBBT-SFHVURJKSA-N -1 1 389.419 1.842 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)CC1(C)C)C1CCC1 ZINC001573675382 948121198 /nfs/dbraw/zinc/12/11/98/948121198.db2.gz PTBGMTMEBAAQQO-OCCSQVGLSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)CC1(C)C)C1CCC1 ZINC001573675382 948121203 /nfs/dbraw/zinc/12/12/03/948121203.db2.gz PTBGMTMEBAAQQO-OCCSQVGLSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)CC1(C)C)C1CCC1 ZINC001573675371 948121409 /nfs/dbraw/zinc/12/14/09/948121409.db2.gz PTBGMTMEBAAQQO-GXTWGEPZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)CC1(C)C)C1CCC1 ZINC001573675371 948121417 /nfs/dbraw/zinc/12/14/17/948121417.db2.gz PTBGMTMEBAAQQO-GXTWGEPZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC1(C)C)c1ccco1 ZINC001573676967 948130941 /nfs/dbraw/zinc/13/09/41/948130941.db2.gz BNDHZLMDTXBGDO-DGCLKSJQSA-N -1 1 382.428 1.384 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC1(C)C)c1ccco1 ZINC001573676967 948130947 /nfs/dbraw/zinc/13/09/47/948130947.db2.gz BNDHZLMDTXBGDO-DGCLKSJQSA-N -1 1 382.428 1.384 20 0 GDADMM C[C@H](CNC(=O)[C@H](C)c1cccc(F)c1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001573677291 948134780 /nfs/dbraw/zinc/13/47/80/948134780.db2.gz BUYRWIRQLILBGS-VXGBXAGGSA-N -1 1 384.419 1.540 20 0 GDADMM C[C@H](C(=O)N[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C)C(C)(F)F ZINC001573680540 948183168 /nfs/dbraw/zinc/18/31/68/948183168.db2.gz QOUCOXNZRVKAOL-ZJUUUORDSA-N -1 1 380.403 1.279 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C)n1cccc1 ZINC001573681102 948195278 /nfs/dbraw/zinc/19/52/78/948195278.db2.gz ULALULBOTZOTCS-CHWSQXEVSA-N -1 1 381.444 1.050 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C)C(F)(F)F ZINC001573681101 948195471 /nfs/dbraw/zinc/19/54/71/948195471.db2.gz UIXPHTALXCMSGW-WPRPVWTQSA-N -1 1 384.366 1.186 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C)C(F)(F)F ZINC001573681101 948195475 /nfs/dbraw/zinc/19/54/75/948195475.db2.gz UIXPHTALXCMSGW-WPRPVWTQSA-N -1 1 384.366 1.186 20 0 GDADMM C[C@H](C(=O)NC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)c1ccccc1)C1CC1 ZINC001573681293 948199932 /nfs/dbraw/zinc/19/99/32/948199932.db2.gz UMUKAUFYQGFCOG-WFASDCNBSA-N -1 1 378.440 1.394 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCCC1)[C@H]1CCCO1 ZINC001573690749 948227760 /nfs/dbraw/zinc/22/77/60/948227760.db2.gz ARJLJAXOKCVXBN-TZMCWYRMSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCCC1)[C@H]1CCCO1 ZINC001573690749 948227770 /nfs/dbraw/zinc/22/77/70/948227770.db2.gz ARJLJAXOKCVXBN-TZMCWYRMSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](C(=O)NC[C@H](O)CNc1nc(-c2nn[n-]n2)c(Cl)s1)C1CCC1 ZINC001573690616 948228607 /nfs/dbraw/zinc/22/86/07/948228607.db2.gz FKRCGBRFJWMZRQ-APPZFPTMSA-N -1 1 385.881 1.302 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCOCC1)C1CCC1 ZINC001573690744 948228651 /nfs/dbraw/zinc/22/86/51/948228651.db2.gz ARBZCDAEYYNNHB-GFCCVEGCSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCOCC1)C1CCC1 ZINC001573690744 948228660 /nfs/dbraw/zinc/22/86/60/948228660.db2.gz ARBZCDAEYYNNHB-GFCCVEGCSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCOCC1)C(C)(C)C ZINC001573691865 948247246 /nfs/dbraw/zinc/24/72/46/948247246.db2.gz JJXUSWWICRWVFS-GFCCVEGCSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCOCC1)C(C)(C)C ZINC001573691865 948247254 /nfs/dbraw/zinc/24/72/54/948247254.db2.gz JJXUSWWICRWVFS-GFCCVEGCSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCCCN1c1cnc(-c2nnn[n-]2)cn1)C1CCC1 ZINC001573702946 948350943 /nfs/dbraw/zinc/35/09/43/948350943.db2.gz HSSDJHJHMJEVHP-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCCCN1c1cnc(-c2nn[n-]n2)cn1)C1CCC1 ZINC001573702946 948350953 /nfs/dbraw/zinc/35/09/53/948350953.db2.gz HSSDJHJHMJEVHP-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1)n1cccc1 ZINC001573702903 948351469 /nfs/dbraw/zinc/35/14/69/948351469.db2.gz HFDHFUPUSWQDPG-KGLIPLIRSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1)n1cccc1 ZINC001573702903 948351476 /nfs/dbraw/zinc/35/14/76/948351476.db2.gz HFDHFUPUSWQDPG-KGLIPLIRSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCCN1c1nccnc1-c1nnn[n-]1)n1cccc1 ZINC001573704096 948363019 /nfs/dbraw/zinc/36/30/19/948363019.db2.gz OZLCFLGFYLDQLN-KBPBESRZSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCCN1c1nccnc1-c1nn[n-]n1)n1cccc1 ZINC001573704096 948363025 /nfs/dbraw/zinc/36/30/25/948363025.db2.gz OZLCFLGFYLDQLN-KBPBESRZSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1)C1CCCC1 ZINC001573704959 948387940 /nfs/dbraw/zinc/38/79/40/948387940.db2.gz UYMSXMSCMZGNBD-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573704959 948387949 /nfs/dbraw/zinc/38/79/49/948387949.db2.gz UYMSXMSCMZGNBD-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCC1(F)F)C1CC1 ZINC001573705449 948399712 /nfs/dbraw/zinc/39/97/12/948399712.db2.gz FQVGPUDHDCDBIP-PWSUYJOCSA-N -1 1 392.414 1.281 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCC(C)(C)CN1c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001573705391 948400587 /nfs/dbraw/zinc/40/05/87/948400587.db2.gz WKHZEFNDNSHHIQ-TZMCWYRMSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCC(C)(C)CN1c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001573705391 948400591 /nfs/dbraw/zinc/40/05/91/948400591.db2.gz WKHZEFNDNSHHIQ-TZMCWYRMSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccsc1 ZINC001573708429 948449729 /nfs/dbraw/zinc/44/97/29/948449729.db2.gz VFNUIWDUUZMVDO-RYUDHWBXSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1snc(Cl)c1-c1nnn[n-]1)n1cccc1 ZINC001573717507 948509530 /nfs/dbraw/zinc/50/95/30/948509530.db2.gz DJLJVRMZRFELEH-VIFPVBQESA-N -1 1 380.865 1.592 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1snc(Cl)c1-c1nn[n-]n1)n1cccc1 ZINC001573717507 948509537 /nfs/dbraw/zinc/50/95/37/948509537.db2.gz DJLJVRMZRFELEH-VIFPVBQESA-N -1 1 380.865 1.592 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1nc(-c2nn[n-]n2)c(Cl)s1)[C@@H]1CCCO1 ZINC001573719751 948529095 /nfs/dbraw/zinc/52/90/95/948529095.db2.gz OYDBBHKNZYPRLW-BDAKNGLRSA-N -1 1 385.881 1.344 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C)C(F)(F)F ZINC001573729867 948573013 /nfs/dbraw/zinc/57/30/13/948573013.db2.gz VOBCWXMHADZVKC-OPRDCNLKSA-N -1 1 384.366 1.044 20 0 GDADMM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573731775 948594169 /nfs/dbraw/zinc/59/41/69/948594169.db2.gz YTIMBGZKIIQAHQ-SRVKXCTJSA-N -1 1 384.469 1.251 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573736059 948611202 /nfs/dbraw/zinc/61/12/02/948611202.db2.gz FANKBCHKXYPMGZ-NWDGAFQWSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1cncc(-c2nnn[n-]2)n1)C(C)(F)F ZINC001573736224 948612431 /nfs/dbraw/zinc/61/24/31/948612431.db2.gz JGXUSSSNIRJXRD-HBNTYKKESA-N -1 1 380.403 1.787 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1cncc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001573736224 948612437 /nfs/dbraw/zinc/61/24/37/948612437.db2.gz JGXUSSSNIRJXRD-HBNTYKKESA-N -1 1 380.403 1.787 20 0 GDADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1)C(C)(F)F ZINC001573740395 948634020 /nfs/dbraw/zinc/63/40/20/948634020.db2.gz NWGUIYVUALZCQU-DBIOUOCHSA-N -1 1 378.387 1.174 20 0 GDADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1)C(C)(F)F ZINC001573740395 948634022 /nfs/dbraw/zinc/63/40/22/948634022.db2.gz NWGUIYVUALZCQU-DBIOUOCHSA-N -1 1 378.387 1.174 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H](C)c1ccc(F)c(F)c1 ZINC001573743156 948667902 /nfs/dbraw/zinc/66/79/02/948667902.db2.gz ZGTWAHQWXVJYFA-ZJUUUORDSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H](C)c1ccc(F)c(F)c1 ZINC001573743156 948667909 /nfs/dbraw/zinc/66/79/09/948667909.db2.gz ZGTWAHQWXVJYFA-ZJUUUORDSA-N -1 1 388.382 1.655 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@@H](C)[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)nc1 ZINC001574416004 948743464 /nfs/dbraw/zinc/74/34/64/948743464.db2.gz NPYPSMBDOUSERK-RYUDHWBXSA-N -1 1 381.444 1.794 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@@H](C)[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)nc1 ZINC001574416004 948743473 /nfs/dbraw/zinc/74/34/73/948743473.db2.gz NPYPSMBDOUSERK-RYUDHWBXSA-N -1 1 381.444 1.794 20 0 GDADMM CC(C)c1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001574416159 948744906 /nfs/dbraw/zinc/74/49/06/948744906.db2.gz PZCRDSHASIOBHH-HOTGVXAUSA-N -1 1 390.451 1.883 20 0 GDADMM CC(C)c1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001574416159 948744917 /nfs/dbraw/zinc/74/49/17/948744917.db2.gz PZCRDSHASIOBHH-HOTGVXAUSA-N -1 1 390.451 1.883 20 0 GDADMM C[C@@H](C(=O)Nc1nc2ccccc2n1CC1CC1)n1cnc(-c2nn[n-]n2)n1 ZINC001573754715 948747899 /nfs/dbraw/zinc/74/78/99/948747899.db2.gz IYESWAUTPYNGMY-JTQLQIEISA-N -1 1 378.400 1.418 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@@H](C)[C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)cn1 ZINC001574416531 948748973 /nfs/dbraw/zinc/74/89/73/948748973.db2.gz XDRBOIOJHTWXAV-NEPJUHHUSA-N -1 1 381.444 1.794 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@@H](C)[C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)cn1 ZINC001574416531 948748980 /nfs/dbraw/zinc/74/89/80/948748980.db2.gz XDRBOIOJHTWXAV-NEPJUHHUSA-N -1 1 381.444 1.794 20 0 GDADMM C[C@H](CNC(=O)CCc1ccccc1F)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574914617 948750364 /nfs/dbraw/zinc/75/03/64/948750364.db2.gz LIYARBRHKZWSGS-LBPRGKRZSA-N -1 1 384.419 1.593 20 0 GDADMM C[C@H](CNC(=O)CCc1ccccc1F)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574914617 948750379 /nfs/dbraw/zinc/75/03/79/948750379.db2.gz LIYARBRHKZWSGS-LBPRGKRZSA-N -1 1 384.419 1.593 20 0 GDADMM C[C@H](CNC(=O)CCc1ccc(Cl)cc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574914886 948756543 /nfs/dbraw/zinc/75/65/43/948756543.db2.gz ONQODVOFKIUWSO-LLVKDONJSA-N -1 1 386.847 1.860 20 0 GDADMM C[C@H](CNC(=O)CCc1ccc(Cl)cc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574914886 948756553 /nfs/dbraw/zinc/75/65/53/948756553.db2.gz ONQODVOFKIUWSO-LLVKDONJSA-N -1 1 386.847 1.860 20 0 GDADMM CC(C)c1cccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nnn[n-]3)cn2)n1 ZINC001574416654 948756788 /nfs/dbraw/zinc/75/67/88/948756788.db2.gz BJFKNYGIVFBBCC-STQMWFEESA-N -1 1 391.439 1.278 20 0 GDADMM CC(C)c1cccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nn[n-]n3)cn2)n1 ZINC001574416654 948756800 /nfs/dbraw/zinc/75/68/00/948756800.db2.gz BJFKNYGIVFBBCC-STQMWFEESA-N -1 1 391.439 1.278 20 0 GDADMM C[C@@H](CNC(=O)CCc1cccc(Cl)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574914857 948758498 /nfs/dbraw/zinc/75/84/98/948758498.db2.gz ODMFKFRRLMVGQG-NSHDSACASA-N -1 1 386.847 1.860 20 0 GDADMM C[C@@H](CNC(=O)CCc1cccc(Cl)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574914857 948758505 /nfs/dbraw/zinc/75/85/05/948758505.db2.gz ODMFKFRRLMVGQG-NSHDSACASA-N -1 1 386.847 1.860 20 0 GDADMM CC(C)c1cccc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)n1 ZINC001574417460 948768276 /nfs/dbraw/zinc/76/82/76/948768276.db2.gz OFKDDMVWGAJENL-GFCCVEGCSA-N -1 1 379.428 1.502 20 0 GDADMM CC(C)c1cccc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)n1 ZINC001574417460 948768282 /nfs/dbraw/zinc/76/82/82/948768282.db2.gz OFKDDMVWGAJENL-GFCCVEGCSA-N -1 1 379.428 1.502 20 0 GDADMM CC(C)c1cccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nnn[n-]3)nn2)n1 ZINC001574417517 948770203 /nfs/dbraw/zinc/77/02/03/948770203.db2.gz QQADUJQPSGSHLP-STQMWFEESA-N -1 1 391.439 1.278 20 0 GDADMM CC(C)c1cccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nn[n-]n3)nn2)n1 ZINC001574417517 948770219 /nfs/dbraw/zinc/77/02/19/948770219.db2.gz QQADUJQPSGSHLP-STQMWFEESA-N -1 1 391.439 1.278 20 0 GDADMM C[C@@H](C(=O)Nc1cc(Cl)c2c(c1)OCCO2)n1cnc(-c2nn[n-]n2)n1 ZINC001573755584 948775538 /nfs/dbraw/zinc/77/55/38/948775538.db2.gz FPDIHYIMZBMCCV-ZETCQYMHSA-N -1 1 376.764 1.083 20 0 GDADMM CC(C)c1ccccc1C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574420208 948792921 /nfs/dbraw/zinc/79/29/21/948792921.db2.gz QGNJEZMZHVSHIT-CYBMUJFWSA-N -1 1 378.440 1.789 20 0 GDADMM CC(C)c1ccccc1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574420208 948792933 /nfs/dbraw/zinc/79/29/33/948792933.db2.gz QGNJEZMZHVSHIT-CYBMUJFWSA-N -1 1 378.440 1.789 20 0 GDADMM CC(C)[C@@H](F)C(=O)NCc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001574080809 948807349 /nfs/dbraw/zinc/80/73/49/948807349.db2.gz NTCYJESZWWJYJY-MRXNPFEDSA-N -1 1 384.419 1.879 20 0 GDADMM CC(C)[C@@H](F)C(=O)NCc1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001574080809 948807367 /nfs/dbraw/zinc/80/73/67/948807367.db2.gz NTCYJESZWWJYJY-MRXNPFEDSA-N -1 1 384.419 1.879 20 0 GDADMM CC(C)c1ccoc1C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001574421068 948808756 /nfs/dbraw/zinc/80/87/56/948808756.db2.gz GACSFMLXAFLTMA-JYAVWHMHSA-N -1 1 380.412 1.238 20 0 GDADMM CC(C)c1ccoc1C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001574421068 948808775 /nfs/dbraw/zinc/80/87/75/948808775.db2.gz GACSFMLXAFLTMA-JYAVWHMHSA-N -1 1 380.412 1.238 20 0 GDADMM CC(F)(F)CC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001575225735 948809203 /nfs/dbraw/zinc/80/92/03/948809203.db2.gz FAZBEJRQRZXPRY-PHIMTYICSA-N -1 1 378.387 1.272 20 0 GDADMM CC(F)(F)CC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001575225735 948809216 /nfs/dbraw/zinc/80/92/16/948809216.db2.gz FAZBEJRQRZXPRY-PHIMTYICSA-N -1 1 378.387 1.272 20 0 GDADMM CC(C)c1ccoc1C(=O)NCCN(c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001574421306 948815865 /nfs/dbraw/zinc/81/58/65/948815865.db2.gz ITCVTTDEMRXVBG-UHFFFAOYSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1ccoc1C(=O)NCCN(c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001574421306 948815883 /nfs/dbraw/zinc/81/58/83/948815883.db2.gz ITCVTTDEMRXVBG-UHFFFAOYSA-N -1 1 382.428 1.772 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cc1ccc(Cl)cc1 ZINC001574681746 948820824 /nfs/dbraw/zinc/82/08/24/948820824.db2.gz NNCRZFKBNICYPC-LLVKDONJSA-N -1 1 386.847 1.860 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cc1ccc(Cl)cc1 ZINC001574681746 948820839 /nfs/dbraw/zinc/82/08/39/948820839.db2.gz NNCRZFKBNICYPC-LLVKDONJSA-N -1 1 386.847 1.860 20 0 GDADMM C[C@H](CNC(=O)CCCc1ccsc1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574917763 948823343 /nfs/dbraw/zinc/82/33/43/948823343.db2.gz AUQCUCBUHXGJHB-LBPRGKRZSA-N -1 1 386.485 1.905 20 0 GDADMM C[C@H](CNC(=O)CCCc1ccsc1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574917763 948823361 /nfs/dbraw/zinc/82/33/61/948823361.db2.gz AUQCUCBUHXGJHB-LBPRGKRZSA-N -1 1 386.485 1.905 20 0 GDADMM C[C@@H](CNC(=O)CCCc1ccccn1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574917761 948825248 /nfs/dbraw/zinc/82/52/48/948825248.db2.gz ATGXRYSMIYVDMC-ZDUSSCGKSA-N -1 1 381.444 1.016 20 0 GDADMM C[C@@H](CNC(=O)CCCc1ccccn1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574917761 948825264 /nfs/dbraw/zinc/82/52/64/948825264.db2.gz ATGXRYSMIYVDMC-ZDUSSCGKSA-N -1 1 381.444 1.016 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CC[C@@H]21 ZINC001575227653 948832578 /nfs/dbraw/zinc/83/25/78/948832578.db2.gz XSRPZUMPFULHMG-YPMHNXCESA-N -1 1 392.414 1.519 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CC[C@@H]21 ZINC001575227653 948832595 /nfs/dbraw/zinc/83/25/95/948832595.db2.gz XSRPZUMPFULHMG-YPMHNXCESA-N -1 1 392.414 1.519 20 0 GDADMM C[C@H]([C@H](C)C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1)C(C)(C)C ZINC001573757239 948833739 /nfs/dbraw/zinc/83/37/39/948833739.db2.gz YYCPBCGIQNSXGA-WDEREUQCSA-N -1 1 376.465 1.683 20 0 GDADMM C[C@H]([C@H](C)C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1)C(C)(C)C ZINC001573757239 948833752 /nfs/dbraw/zinc/83/37/52/948833752.db2.gz YYCPBCGIQNSXGA-WDEREUQCSA-N -1 1 376.465 1.683 20 0 GDADMM CC(C)c1nc(C(=O)NC[C@@H](C)N(C)c2nccnc2-c2nnn[n-]2)cs1 ZINC001574424006 948835466 /nfs/dbraw/zinc/83/54/66/948835466.db2.gz ATQKYLGHHQSXIB-SNVBAGLBSA-N -1 1 387.473 1.491 20 0 GDADMM CC(C)c1nc(C(=O)NC[C@@H](C)N(C)c2nccnc2-c2nn[n-]n2)cs1 ZINC001574424006 948835474 /nfs/dbraw/zinc/83/54/74/948835474.db2.gz ATQKYLGHHQSXIB-SNVBAGLBSA-N -1 1 387.473 1.491 20 0 GDADMM CC(C)c1ccoc1C(=O)N(C)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574422378 948835980 /nfs/dbraw/zinc/83/59/80/948835980.db2.gz ZSYXZWNJVUZEFC-GFCCVEGCSA-N -1 1 382.428 1.724 20 0 GDADMM CC(C)c1ccoc1C(=O)N(C)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574422378 948836005 /nfs/dbraw/zinc/83/60/05/948836005.db2.gz ZSYXZWNJVUZEFC-GFCCVEGCSA-N -1 1 382.428 1.724 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1)C(F)F ZINC001573761119 948836660 /nfs/dbraw/zinc/83/66/60/948836660.db2.gz CPVYPLJHHUKDIP-JTQLQIEISA-N -1 1 380.403 1.599 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1)C(F)F ZINC001573761119 948836679 /nfs/dbraw/zinc/83/66/79/948836679.db2.gz CPVYPLJHHUKDIP-JTQLQIEISA-N -1 1 380.403 1.599 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1 ZINC001573761660 948843471 /nfs/dbraw/zinc/84/34/71/948843471.db2.gz KMBDXYAQQQYHHU-CQSZACIVSA-N -1 1 392.467 1.895 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1 ZINC001573761660 948843480 /nfs/dbraw/zinc/84/34/80/948843480.db2.gz KMBDXYAQQQYHHU-CQSZACIVSA-N -1 1 392.467 1.895 20 0 GDADMM CC(F)(F)CC(=O)NC[C@]12CCC[C@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001575229506 948852401 /nfs/dbraw/zinc/85/24/01/948852401.db2.gz KYPSNCLHPQMKKG-PIGZYNQJSA-N -1 1 392.414 1.567 20 0 GDADMM CC(F)(F)CC(=O)NC[C@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1 ZINC001575229990 948864666 /nfs/dbraw/zinc/86/46/66/948864666.db2.gz XZIFJOPMTBCPHH-JTQLQIEISA-N -1 1 386.428 1.291 20 0 GDADMM C[C@H](CNC(=O)CCCc1ccccc1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574918997 948864889 /nfs/dbraw/zinc/86/48/89/948864889.db2.gz SZCDXZQAHDWCPL-AWEZNQCLSA-N -1 1 380.456 1.844 20 0 GDADMM C[C@H](CNC(=O)CCCc1ccccc1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574918997 948864905 /nfs/dbraw/zinc/86/49/05/948864905.db2.gz SZCDXZQAHDWCPL-AWEZNQCLSA-N -1 1 380.456 1.844 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)C1CCOCC1 ZINC001573763746 948873842 /nfs/dbraw/zinc/87/38/42/948873842.db2.gz GRGMQALCCZHBBE-ZDUSSCGKSA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)C1CCOCC1 ZINC001573763746 948873864 /nfs/dbraw/zinc/87/38/64/948873864.db2.gz GRGMQALCCZHBBE-ZDUSSCGKSA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)[C@H]1CCCCO1 ZINC001573763773 948878463 /nfs/dbraw/zinc/87/84/63/948878463.db2.gz HFHHWJWQVACBLX-TZMCWYRMSA-N -1 1 386.460 1.265 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)[C@H]1CCCCO1 ZINC001573763773 948878477 /nfs/dbraw/zinc/87/84/77/948878477.db2.gz HFHHWJWQVACBLX-TZMCWYRMSA-N -1 1 386.460 1.265 20 0 GDADMM CC(F)(F)CCC(=O)N[C@](C)(CNc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001575234832 948909455 /nfs/dbraw/zinc/90/94/55/948909455.db2.gz GYUJWLQDSONGLV-OAHLLOKOSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CCC(=O)N[C@](C)(CNc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001575234832 948909461 /nfs/dbraw/zinc/90/94/61/948909461.db2.gz GYUJWLQDSONGLV-OAHLLOKOSA-N -1 1 380.403 1.789 20 0 GDADMM CC(C)[C@@H]1C[C@H](C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CCO1 ZINC001574088318 948918189 /nfs/dbraw/zinc/91/81/89/948918189.db2.gz AUGPUMWDIATKCN-BHPKHCPMSA-N -1 1 386.460 1.167 20 0 GDADMM CC(C)[C@@H]1C[C@H](C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CCO1 ZINC001574088318 948918203 /nfs/dbraw/zinc/91/82/03/948918203.db2.gz AUGPUMWDIATKCN-BHPKHCPMSA-N -1 1 386.460 1.167 20 0 GDADMM CC(C)(C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573765708 948919111 /nfs/dbraw/zinc/91/91/11/948919111.db2.gz ZJGBDHYQUJMQQD-AWEZNQCLSA-N -1 1 384.488 1.698 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC[C@H]2[C@H]1CCN2c1nccnc1-c1nnn[n-]1 ZINC001575236122 948934618 /nfs/dbraw/zinc/93/46/18/948934618.db2.gz WHRUFJAJXPGMLK-NWDGAFQWSA-N -1 1 392.414 1.662 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC[C@H]2[C@H]1CCN2c1nccnc1-c1nn[n-]n1 ZINC001575236122 948934625 /nfs/dbraw/zinc/93/46/25/948934625.db2.gz WHRUFJAJXPGMLK-NWDGAFQWSA-N -1 1 392.414 1.662 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C(F)F ZINC001573771085 948937617 /nfs/dbraw/zinc/93/76/17/948937617.db2.gz BMNFOWBGYNKETQ-SNVBAGLBSA-N -1 1 380.403 1.423 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C(F)F ZINC001573771085 948937631 /nfs/dbraw/zinc/93/76/31/948937631.db2.gz BMNFOWBGYNKETQ-SNVBAGLBSA-N -1 1 380.403 1.423 20 0 GDADMM CC(F)(F)CCC(=O)NC1CC2(C1)CC(Nc1ccc(-c3nnn[n-]3)nn1)C2 ZINC001575237376 948943333 /nfs/dbraw/zinc/94/33/33/948943333.db2.gz FRJSHSKGNMFVRA-UHFFFAOYSA-N -1 1 392.414 1.931 20 0 GDADMM CC(F)(F)CCC(=O)NC1CC2(C1)CC(Nc1ccc(-c3nn[n-]n3)nn1)C2 ZINC001575237376 948943347 /nfs/dbraw/zinc/94/33/47/948943347.db2.gz FRJSHSKGNMFVRA-UHFFFAOYSA-N -1 1 392.414 1.931 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575237484 948947675 /nfs/dbraw/zinc/94/76/75/948947675.db2.gz GIJUJXAMOHZGAL-NSHDSACASA-N -1 1 380.403 1.567 20 0 GDADMM CC(C)[C@@H]1C[C@@H](C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CCO1 ZINC001574089182 948948702 /nfs/dbraw/zinc/94/87/02/948948702.db2.gz DJYMSAIQWANZRJ-ABHRYQDASA-N -1 1 386.460 1.167 20 0 GDADMM CC(C)[C@@H]1C[C@@H](C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CCO1 ZINC001574089182 948948712 /nfs/dbraw/zinc/94/87/12/948948712.db2.gz DJYMSAIQWANZRJ-ABHRYQDASA-N -1 1 386.460 1.167 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575237962 948950967 /nfs/dbraw/zinc/95/09/67/948950967.db2.gz JWVIHPLKJZLTHI-QWRGUYRKSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575237962 948950976 /nfs/dbraw/zinc/95/09/76/948950976.db2.gz JWVIHPLKJZLTHI-QWRGUYRKSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CCC(=O)NCC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575237933 948951368 /nfs/dbraw/zinc/95/13/68/948951368.db2.gz JJZSIWRKZQEOEP-NSHDSACASA-N -1 1 380.403 1.425 20 0 GDADMM CC(F)(F)CCC(=O)NCC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575237933 948951380 /nfs/dbraw/zinc/95/13/80/948951380.db2.gz JJZSIWRKZQEOEP-NSHDSACASA-N -1 1 380.403 1.425 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575238432 948955257 /nfs/dbraw/zinc/95/52/57/948955257.db2.gz NIIYVJRSXCKNHM-GHMZBOCLSA-N -1 1 380.403 1.931 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575238432 948955264 /nfs/dbraw/zinc/95/52/64/948955264.db2.gz NIIYVJRSXCKNHM-GHMZBOCLSA-N -1 1 380.403 1.931 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@H](C)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574433808 948963993 /nfs/dbraw/zinc/96/39/93/948963993.db2.gz RGONMTNAIAMAEV-NXEZZACHSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@H](C)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574433808 948964002 /nfs/dbraw/zinc/96/40/02/948964002.db2.gz RGONMTNAIAMAEV-NXEZZACHSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)C(F)F ZINC001573772844 948969084 /nfs/dbraw/zinc/96/90/84/948969084.db2.gz WYWBXQNDMPYTQS-UWVGGRQHSA-N -1 1 380.403 1.067 20 0 GDADMM CC(C)[C@]1(C)C[C@H]1C(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001574090173 948976331 /nfs/dbraw/zinc/97/63/31/948976331.db2.gz LRTJOASRGREQKF-LJPSSGMGSA-N -1 1 382.472 1.234 20 0 GDADMM CC(C)[C@]1(C)C[C@H]1C(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001574090173 948976342 /nfs/dbraw/zinc/97/63/42/948976342.db2.gz LRTJOASRGREQKF-LJPSSGMGSA-N -1 1 382.472 1.234 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CCc2ccccc2C1 ZINC001574689541 948985862 /nfs/dbraw/zinc/98/58/62/948985862.db2.gz IEQZDCOUYJXNSW-BBRMVZONSA-N -1 1 392.467 1.769 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CCc2ccccc2C1 ZINC001574689541 948985870 /nfs/dbraw/zinc/98/58/70/948985870.db2.gz IEQZDCOUYJXNSW-BBRMVZONSA-N -1 1 392.467 1.769 20 0 GDADMM CC(C)(C(=O)NC[C@@H](Nc1nccnc1-c1nnn[n-]1)C1CC1)C(F)(F)F ZINC001573774297 949003154 /nfs/dbraw/zinc/00/31/54/949003154.db2.gz MDDLMRCEMPSDFS-SECBINFHSA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)(C(=O)NC[C@@H](Nc1nccnc1-c1nn[n-]n1)C1CC1)C(F)(F)F ZINC001573774297 949003171 /nfs/dbraw/zinc/00/31/71/949003171.db2.gz MDDLMRCEMPSDFS-SECBINFHSA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)(C(=O)NC[C@H](CO)Nc1cncc(-c2nnn[n-]2)n1)C1CCCCC1 ZINC001573774267 949003317 /nfs/dbraw/zinc/00/33/17/949003317.db2.gz LDTFQFVCRPNYQM-CYBMUJFWSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)(C(=O)NC[C@H](CO)Nc1cncc(-c2nn[n-]n2)n1)C1CCCCC1 ZINC001573774267 949003333 /nfs/dbraw/zinc/00/33/33/949003333.db2.gz LDTFQFVCRPNYQM-CYBMUJFWSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)[C@]1(C)C[C@@H]1C(=O)N1CCC(CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574091642 949022518 /nfs/dbraw/zinc/02/25/18/949022518.db2.gz PRLCEEUPLMSZRN-KUHUBIRLSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)[C@]1(C)C[C@@H]1C(=O)N1CCC(CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574091642 949022536 /nfs/dbraw/zinc/02/25/36/949022536.db2.gz PRLCEEUPLMSZRN-KUHUBIRLSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)[C@@]1(C)C[C@H]1C(=O)NCCC1(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574091666 949026206 /nfs/dbraw/zinc/02/62/06/949026206.db2.gz PZSJMHNKFODEOD-SCLBCKFNSA-N -1 1 384.488 1.459 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)NCC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574091765 949029528 /nfs/dbraw/zinc/02/95/28/949029528.db2.gz OMCXFFKOQHIBBY-KGLIPLIRSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)NCC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574091765 949029548 /nfs/dbraw/zinc/02/95/48/949029548.db2.gz OMCXFFKOQHIBBY-KGLIPLIRSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@@H](CN(C)C(=O)C(C)(C)CC(F)(F)F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574693788 949060259 /nfs/dbraw/zinc/06/02/59/949060259.db2.gz JIVWBJFVBKWZDA-VIFPVBQESA-N -1 1 386.382 1.894 20 0 GDADMM C[C@@H](CN(C)C(=O)C(C)(C)CC(F)(F)F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574693788 949060277 /nfs/dbraw/zinc/06/02/77/949060277.db2.gz JIVWBJFVBKWZDA-VIFPVBQESA-N -1 1 386.382 1.894 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CCCC1 ZINC001573779621 949067390 /nfs/dbraw/zinc/06/73/90/949067390.db2.gz KTKIKTMYZWSCHL-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CCCC1 ZINC001573779621 949067399 /nfs/dbraw/zinc/06/73/99/949067399.db2.gz KTKIKTMYZWSCHL-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1)C1CCCC1 ZINC001573779865 949072028 /nfs/dbraw/zinc/07/20/28/949072028.db2.gz OGJYJOTURUSNCJ-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1)C1CCCC1 ZINC001573779865 949072050 /nfs/dbraw/zinc/07/20/50/949072050.db2.gz OGJYJOTURUSNCJ-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)C1CCC1 ZINC001573779823 949072086 /nfs/dbraw/zinc/07/20/86/949072086.db2.gz NGVYBGCEXYMDEW-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573779823 949072104 /nfs/dbraw/zinc/07/21/04/949072104.db2.gz NGVYBGCEXYMDEW-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574441782 949077078 /nfs/dbraw/zinc/07/70/78/949077078.db2.gz XDSJUWCMOGBKLU-LLVKDONJSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1nocc1C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574441782 949077095 /nfs/dbraw/zinc/07/70/95/949077095.db2.gz XDSJUWCMOGBKLU-LLVKDONJSA-N -1 1 383.416 1.167 20 0 GDADMM C[C@@H](NC(=O)C1(C(F)F)CCCC1)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575249020 949084110 /nfs/dbraw/zinc/08/41/10/949084110.db2.gz ANBHVPZEAUSSMP-NXEZZACHSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@@H](NC(=O)C1(C(F)F)CCCC1)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575249020 949084129 /nfs/dbraw/zinc/08/41/29/949084129.db2.gz ANBHVPZEAUSSMP-NXEZZACHSA-N -1 1 380.403 1.787 20 0 GDADMM CC(C)c1nocc1C(=O)N1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574441973 949084285 /nfs/dbraw/zinc/08/42/85/949084285.db2.gz HLMXYCKTGNXCIZ-LLVKDONJSA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1nocc1C(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574441973 949084305 /nfs/dbraw/zinc/08/43/05/949084305.db2.gz HLMXYCKTGNXCIZ-LLVKDONJSA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1nocc1C(=O)N1C[C@H](C)[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574442095 949088957 /nfs/dbraw/zinc/08/89/57/949088957.db2.gz KQTXUWKZUUBYSK-CMPLNLGQSA-N -1 1 383.416 1.341 20 0 GDADMM CC(C)c1nocc1C(=O)N1C[C@H](C)[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574442095 949088979 /nfs/dbraw/zinc/08/89/79/949088979.db2.gz KQTXUWKZUUBYSK-CMPLNLGQSA-N -1 1 383.416 1.341 20 0 GDADMM C[C@H](NC(=O)C(C)(C)CC(F)(F)F)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575250911 949117736 /nfs/dbraw/zinc/11/77/36/949117736.db2.gz IOHDBYMBQFMICV-IUCAKERBSA-N -1 1 386.382 1.940 20 0 GDADMM C[C@H](NC(=O)C(C)(C)CC(F)(F)F)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575250911 949117729 /nfs/dbraw/zinc/11/77/29/949117729.db2.gz IOHDBYMBQFMICV-IUCAKERBSA-N -1 1 386.382 1.940 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574446097 949118672 /nfs/dbraw/zinc/11/86/72/949118672.db2.gz IJNLZZTZNLWSHF-NSHDSACASA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1occc1C(=O)NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001574446102 949119860 /nfs/dbraw/zinc/11/98/60/949119860.db2.gz IQJWKXCGKFUAKA-GFCCVEGCSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1occc1C(=O)NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001574446102 949119861 /nfs/dbraw/zinc/11/98/61/949119861.db2.gz IQJWKXCGKFUAKA-GFCCVEGCSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1nc(C(=O)N[C@H](C)CCNc2nccnc2-c2nnn[n-]2)cs1 ZINC001574696189 949123075 /nfs/dbraw/zinc/12/30/75/949123075.db2.gz MPHVBIHJMSZSQV-SNVBAGLBSA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)c1nc(C(=O)N[C@H](C)CCNc2nccnc2-c2nn[n-]n2)cs1 ZINC001574696189 949123099 /nfs/dbraw/zinc/12/30/99/949123099.db2.gz MPHVBIHJMSZSQV-SNVBAGLBSA-N -1 1 387.473 1.857 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1onc2c1CCCC2 ZINC001574696234 949123603 /nfs/dbraw/zinc/12/36/03/949123603.db2.gz OCZRJFMJQYMXPA-JTQLQIEISA-N -1 1 383.416 1.144 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1onc2c1CCCC2 ZINC001574696234 949123618 /nfs/dbraw/zinc/12/36/18/949123618.db2.gz OCZRJFMJQYMXPA-JTQLQIEISA-N -1 1 383.416 1.144 20 0 GDADMM CC(C)c1occc1C(=O)NC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001574446568 949132505 /nfs/dbraw/zinc/13/25/05/949132505.db2.gz REAPELNTQLYAGT-LBPRGKRZSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1occc1C(=O)NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001574446568 949132522 /nfs/dbraw/zinc/13/25/22/949132522.db2.gz REAPELNTQLYAGT-LBPRGKRZSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)[C@@H]1C[C@@H](C(=O)NCC2(Nc3nccnc3-c3nnn[n-]3)CC2)CCO1 ZINC001574094460 949137291 /nfs/dbraw/zinc/13/72/91/949137291.db2.gz WEESPLNYPFZKLO-STQMWFEESA-N -1 1 386.460 1.169 20 0 GDADMM CC(C)[C@@H]1C[C@@H](C(=O)NCC2(Nc3nccnc3-c3nn[n-]n3)CC2)CCO1 ZINC001574094460 949137305 /nfs/dbraw/zinc/13/73/05/949137305.db2.gz WEESPLNYPFZKLO-STQMWFEESA-N -1 1 386.460 1.169 20 0 GDADMM C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1C[C@@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC001602793061 971553395 /nfs/dbraw/zinc/55/33/95/971553395.db2.gz OPCSOYCSPFUQMS-YUELXQCFSA-N -1 1 399.451 1.036 20 0 GDADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)C(C)(C)c1ccccc1 ZINC001575251464 949141671 /nfs/dbraw/zinc/14/16/71/949141671.db2.gz NMAQBNLYAATFGZ-OLZOCXBDSA-N -1 1 380.456 1.362 20 0 GDADMM C[C@H](NC(=O)C(C)(C)c1cccnc1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575251451 949142544 /nfs/dbraw/zinc/14/25/44/949142544.db2.gz NHQSZTMAFALHTC-RYUDHWBXSA-N -1 1 381.444 1.335 20 0 GDADMM C[C@H](NC(=O)C(C)(C)c1cccnc1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575251451 949142534 /nfs/dbraw/zinc/14/25/34/949142534.db2.gz NHQSZTMAFALHTC-RYUDHWBXSA-N -1 1 381.444 1.335 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)[C@H]1CCCCO1 ZINC001574696847 949142555 /nfs/dbraw/zinc/14/25/55/949142555.db2.gz VQTWQJDTNSHIEM-RKDXNWHRSA-N -1 1 385.881 1.852 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@H]1CCCCO1 ZINC001574696847 949142569 /nfs/dbraw/zinc/14/25/69/949142569.db2.gz VQTWQJDTNSHIEM-RKDXNWHRSA-N -1 1 385.881 1.852 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)[C@@H]1CC1(F)F ZINC001574696834 949143093 /nfs/dbraw/zinc/14/30/93/949143093.db2.gz VOGTYVPQFMGKSJ-RITPCOANSA-N -1 1 377.808 1.939 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@@H]1CC1(F)F ZINC001574696834 949143104 /nfs/dbraw/zinc/14/31/04/949143104.db2.gz VOGTYVPQFMGKSJ-RITPCOANSA-N -1 1 377.808 1.939 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001574447083 949150905 /nfs/dbraw/zinc/15/09/05/949150905.db2.gz FPNQTNQSJKGKRZ-NSHDSACASA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001574447083 949150914 /nfs/dbraw/zinc/15/09/14/949150914.db2.gz FPNQTNQSJKGKRZ-NSHDSACASA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573786824 949151007 /nfs/dbraw/zinc/15/10/07/949151007.db2.gz DNMWRHWXSPFETA-MQMHXKEQSA-N -1 1 384.488 1.602 20 0 GDADMM CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1)C1CCC1 ZINC001573786914 949154376 /nfs/dbraw/zinc/15/43/76/949154376.db2.gz FGVNWIUZBJRWRZ-MCIONIFRSA-N -1 1 382.472 1.709 20 0 GDADMM CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1)C1CCC1 ZINC001573786914 949154385 /nfs/dbraw/zinc/15/43/85/949154385.db2.gz FGVNWIUZBJRWRZ-MCIONIFRSA-N -1 1 382.472 1.709 20 0 GDADMM CC(C)c1ocnc1C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574447454 949157898 /nfs/dbraw/zinc/15/78/98/949157898.db2.gz NYQYRQUKWARXND-UHFFFAOYSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1ocnc1C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574447454 949157904 /nfs/dbraw/zinc/15/79/04/949157904.db2.gz NYQYRQUKWARXND-UHFFFAOYSA-N -1 1 383.416 1.167 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)CC(F)(F)F)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575252421 949163263 /nfs/dbraw/zinc/16/32/63/949163263.db2.gz QHXGAZIECQCBGY-DTWKUNHWSA-N -1 1 386.382 1.362 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574447582 949165849 /nfs/dbraw/zinc/16/58/49/949165849.db2.gz TWPKOFLEIHVLQA-UHFFFAOYSA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574447582 949165864 /nfs/dbraw/zinc/16/58/64/949165864.db2.gz TWPKOFLEIHVLQA-UHFFFAOYSA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1oncc1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574448341 949188932 /nfs/dbraw/zinc/18/89/32/949188932.db2.gz JCBOSHOVKVMGAN-LLVKDONJSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@H](C)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574451074 949209924 /nfs/dbraw/zinc/20/99/24/949209924.db2.gz ARQQRDRDFDVCOZ-NXEZZACHSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@H](C)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574451074 949209946 /nfs/dbraw/zinc/20/99/46/949209946.db2.gz ARQQRDRDFDVCOZ-NXEZZACHSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1oncc1C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H]1C ZINC001574451236 949221770 /nfs/dbraw/zinc/22/17/70/949221770.db2.gz HXELFMZBJGFXTM-PWSUYJOCSA-N -1 1 383.416 1.165 20 0 GDADMM CC(C)c1oncc1C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H]1C ZINC001574451236 949221789 /nfs/dbraw/zinc/22/17/89/949221789.db2.gz HXELFMZBJGFXTM-PWSUYJOCSA-N -1 1 383.416 1.165 20 0 GDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](C)NC(=O)C1(Cc2ccccc2)CC1 ZINC001575255092 949222123 /nfs/dbraw/zinc/22/21/23/949222123.db2.gz PHBKOSSFTRRYIB-KGLIPLIRSA-N -1 1 392.467 1.985 20 0 GDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](C)NC(=O)C1(Cc2ccccc2)CC1 ZINC001575255092 949222140 /nfs/dbraw/zinc/22/21/40/949222140.db2.gz PHBKOSSFTRRYIB-KGLIPLIRSA-N -1 1 392.467 1.985 20 0 GDADMM C[C@@H](NC(=O)C1(Cc2ccccc2)CC1)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575255095 949223066 /nfs/dbraw/zinc/22/30/66/949223066.db2.gz PHBKOSSFTRRYIB-ZIAGYGMSSA-N -1 1 392.467 1.985 20 0 GDADMM C[C@@H](NC(=O)C1(Cc2ccccc2)CC1)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575255095 949223085 /nfs/dbraw/zinc/22/30/85/949223085.db2.gz PHBKOSSFTRRYIB-ZIAGYGMSSA-N -1 1 392.467 1.985 20 0 GDADMM CC1(Nc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)[C@@H]2CCC(F)(F)C2)CC1 ZINC001575854025 949223685 /nfs/dbraw/zinc/22/36/85/949223685.db2.gz YRIKGXZDWPMRLX-LLVKDONJSA-N -1 1 392.414 1.885 20 0 GDADMM CC1(Nc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)[C@@H]2CCC(F)(F)C2)CC1 ZINC001575854025 949223707 /nfs/dbraw/zinc/22/37/07/949223707.db2.gz YRIKGXZDWPMRLX-LLVKDONJSA-N -1 1 392.414 1.885 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(F)c(Cl)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574938111 949235916 /nfs/dbraw/zinc/23/59/16/949235916.db2.gz SCSMBCLPGCRUTE-SECBINFHSA-N -1 1 390.810 1.609 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(F)c(Cl)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574938111 949235939 /nfs/dbraw/zinc/23/59/39/949235939.db2.gz SCSMBCLPGCRUTE-SECBINFHSA-N -1 1 390.810 1.609 20 0 GDADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)C1(c2ccccc2)CC1 ZINC001575255923 949241951 /nfs/dbraw/zinc/24/19/51/949241951.db2.gz SMMUWLDMHIGXDT-OLZOCXBDSA-N -1 1 378.440 1.694 20 0 GDADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)C1(c2ccccc2)CC1 ZINC001575255923 949241972 /nfs/dbraw/zinc/24/19/72/949241972.db2.gz SMMUWLDMHIGXDT-OLZOCXBDSA-N -1 1 378.440 1.694 20 0 GDADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)Cc2cscn2)CC1 ZINC001575856758 949255879 /nfs/dbraw/zinc/25/58/79/949255879.db2.gz JWQZCQFDHSTVTN-UHFFFAOYSA-N -1 1 385.457 1.149 20 0 GDADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)Cc2cscn2)CC1 ZINC001575856758 949255898 /nfs/dbraw/zinc/25/58/98/949255898.db2.gz JWQZCQFDHSTVTN-UHFFFAOYSA-N -1 1 385.457 1.149 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(F)c1F)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574940546 949268494 /nfs/dbraw/zinc/26/84/94/949268494.db2.gz GVBVXIWEHFHRRC-JTQLQIEISA-N -1 1 388.382 1.119 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(F)c1F)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574940546 949268523 /nfs/dbraw/zinc/26/85/23/949268523.db2.gz GVBVXIWEHFHRRC-JTQLQIEISA-N -1 1 388.382 1.119 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(Cl)c1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574940643 949274024 /nfs/dbraw/zinc/27/40/24/949274024.db2.gz IAPFZLGXASLEHG-NSHDSACASA-N -1 1 386.847 1.494 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(Cl)c1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574940643 949274045 /nfs/dbraw/zinc/27/40/45/949274045.db2.gz IAPFZLGXASLEHG-NSHDSACASA-N -1 1 386.847 1.494 20 0 GDADMM C[C@@H]1CCC[C@@]1(C)C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001576153117 949276770 /nfs/dbraw/zinc/27/67/70/949276770.db2.gz KUOZNCRRCOKCEM-VYGYDYRJSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H]1CCC[C@@]1(C)C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001576153117 949276791 /nfs/dbraw/zinc/27/67/91/949276791.db2.gz KUOZNCRRCOKCEM-VYGYDYRJSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H](NC(=O)C1CC(C)(C)C1)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575257574 949278727 /nfs/dbraw/zinc/27/87/27/949278727.db2.gz AUPWROZDKRBDOD-OLZOCXBDSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](NC(=O)C1CC(C)(C)C1)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575257574 949278750 /nfs/dbraw/zinc/27/87/50/949278750.db2.gz AUPWROZDKRBDOD-OLZOCXBDSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc[nH]1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574940895 949282785 /nfs/dbraw/zinc/28/27/85/949282785.db2.gz LXCIRBFDRWLGPO-QMMMGPOBSA-N -1 1 380.865 1.712 20 0 GDADMM CC(C)CC(=O)N1CCC[C@H]([C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001574108141 949287983 /nfs/dbraw/zinc/28/79/83/949287983.db2.gz LUFQHRHRJXRKJN-LSDHHAIUSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)CC(=O)N1CCC[C@H]([C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001574108141 949288004 /nfs/dbraw/zinc/28/80/04/949288004.db2.gz LUFQHRHRJXRKJN-LSDHHAIUSA-N -1 1 384.488 1.768 20 0 GDADMM CC1=C(C)C[C@@](C)(C(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001575860659 949308363 /nfs/dbraw/zinc/30/83/63/949308363.db2.gz KRBFVYSMPMEEEY-KUHUBIRLSA-N -1 1 382.472 1.878 20 0 GDADMM CC1=C(C)C[C@@](C)(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001575860659 949308384 /nfs/dbraw/zinc/30/83/84/949308384.db2.gz KRBFVYSMPMEEEY-KUHUBIRLSA-N -1 1 382.472 1.878 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@]1(F)CCOC1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574703088 949310492 /nfs/dbraw/zinc/31/04/92/949310492.db2.gz QNFOACKAGSWKSP-FUXBKTLASA-N -1 1 389.844 1.364 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@]1(C)CCOC1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574703075 949310988 /nfs/dbraw/zinc/31/09/88/949310988.db2.gz QHINWJXPHXFHAB-RTHLEPHNSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(C2CC2)c1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574941821 949321828 /nfs/dbraw/zinc/32/18/28/949321828.db2.gz SZZSLEHSMCVCKV-ZDUSSCGKSA-N -1 1 392.467 1.718 20 0 GDADMM C[C@H](NC(=O)C1CCC(F)(F)CC1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575259425 949329029 /nfs/dbraw/zinc/32/90/29/949329029.db2.gz OGBUYUKDZFVUPM-UWVGGRQHSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@H](NC(=O)C1CCC(F)(F)CC1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575259425 949329053 /nfs/dbraw/zinc/32/90/53/949329053.db2.gz OGBUYUKDZFVUPM-UWVGGRQHSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@H](NC(=O)C1CC(C)(C)C1)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575260898 949369151 /nfs/dbraw/zinc/36/91/51/949369151.db2.gz YJCMINACZQMWNK-QWHCGFSZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H]1CCC[C@@]1(C)C(=O)N(C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576154956 949373146 /nfs/dbraw/zinc/37/31/46/949373146.db2.gz SLLOAXGEKNZREN-ORAYPTAESA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CCC[C@@]1(C)C(=O)N(C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576154956 949373170 /nfs/dbraw/zinc/37/31/70/949373170.db2.gz SLLOAXGEKNZREN-ORAYPTAESA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2(C)CC(F)(F)C2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575865408 949374419 /nfs/dbraw/zinc/37/44/19/949374419.db2.gz AJMMXFUKUYRJMZ-QWRGUYRKSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2(C)CC(F)(F)C2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575865408 949374443 /nfs/dbraw/zinc/37/44/43/949374443.db2.gz AJMMXFUKUYRJMZ-QWRGUYRKSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@@H](CN(C)C(=O)C1=COCCO1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574704288 949380101 /nfs/dbraw/zinc/38/01/01/949380101.db2.gz LZGBBCVFZUMRNJ-ZETCQYMHSA-N -1 1 385.837 1.124 20 0 GDADMM C[C@@H](CN(C)C(=O)C1=COCCO1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574704288 949380124 /nfs/dbraw/zinc/38/01/24/949380124.db2.gz LZGBBCVFZUMRNJ-ZETCQYMHSA-N -1 1 385.837 1.124 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1CCCC(F)(F)C1)Nc1nccnc1-c1nnn[n-]1 ZINC001574704372 949384792 /nfs/dbraw/zinc/38/47/92/949384792.db2.gz BSGUKPUKMDPHRR-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1CCCC(F)(F)C1)Nc1nccnc1-c1nn[n-]n1 ZINC001574704372 949384813 /nfs/dbraw/zinc/38/48/13/949384813.db2.gz BSGUKPUKMDPHRR-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)CC(=O)N[C@@H]1[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)[C@@H]2C1(C)C ZINC001574112598 949387822 /nfs/dbraw/zinc/38/78/22/949387822.db2.gz LGLJHTVBAZMYBG-MAZHCROVSA-N -1 1 384.488 1.812 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C(C2CC2)C2CC2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575866128 949399929 /nfs/dbraw/zinc/39/99/29/949399929.db2.gz DDPQHCHLWVUGEV-BXUZGUMPSA-N -1 1 382.472 1.566 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C(C2CC2)C2CC2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575866128 949399948 /nfs/dbraw/zinc/39/99/48/949399948.db2.gz DDPQHCHLWVUGEV-BXUZGUMPSA-N -1 1 382.472 1.566 20 0 GDADMM C[C@H]1CCC[C@H](C(=O)NC2(C)CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001576155424 949400808 /nfs/dbraw/zinc/40/08/08/949400808.db2.gz UPYLTXFHVBMWKR-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCC[C@H](C(=O)NC2(C)CCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001576155424 949400818 /nfs/dbraw/zinc/40/08/18/949400818.db2.gz UPYLTXFHVBMWKR-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001574464260 949401975 /nfs/dbraw/zinc/40/19/75/949401975.db2.gz HXKLJXJGCDDKBE-ZDUSSCGKSA-N -1 1 381.444 1.660 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001574464260 949401992 /nfs/dbraw/zinc/40/19/92/949401992.db2.gz HXKLJXJGCDDKBE-ZDUSSCGKSA-N -1 1 381.444 1.660 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574464232 949403320 /nfs/dbraw/zinc/40/33/20/949403320.db2.gz GVKVGFAXIJGDRU-CYBMUJFWSA-N -1 1 381.444 1.438 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574464232 949403329 /nfs/dbraw/zinc/40/33/29/949403329.db2.gz GVKVGFAXIJGDRU-CYBMUJFWSA-N -1 1 381.444 1.438 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2(C(C)(F)F)CC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575866385 949407483 /nfs/dbraw/zinc/40/74/83/949407483.db2.gz FQJDVIKWKWTZRE-WDEREUQCSA-N -1 1 392.414 1.566 20 0 GDADMM CC(C)n1cccc1C(=O)N1CC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574464546 949416694 /nfs/dbraw/zinc/41/66/94/949416694.db2.gz LJHSHICOJHZOSR-CYBMUJFWSA-N -1 1 381.444 1.390 20 0 GDADMM CC(C)n1cccc1C(=O)N1CC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574464546 949416709 /nfs/dbraw/zinc/41/67/09/949416709.db2.gz LJHSHICOJHZOSR-CYBMUJFWSA-N -1 1 381.444 1.390 20 0 GDADMM C[C@H]1CCC[C@@H](C(=O)NCC2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001576155812 949417578 /nfs/dbraw/zinc/41/75/78/949417578.db2.gz VGJJAOJEAHCEMO-DZGCQCFKSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2ccnc(-c3nn[n-]n3)n2)CC=CC1 ZINC001575534158 949422952 /nfs/dbraw/zinc/42/29/52/949422952.db2.gz KKBZIEOFEJBGRS-OKILXGFUSA-N -1 1 380.456 1.583 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1nccnc1-c1nnn[n-]1)NC(=O)CC(C)(C)O ZINC001576155920 949423404 /nfs/dbraw/zinc/42/34/04/949423404.db2.gz KKFMWUXTBBHDMG-SGTLLEGYSA-N -1 1 388.476 1.295 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1nccnc1-c1nn[n-]n1)NC(=O)CC(C)(C)O ZINC001576155920 949423413 /nfs/dbraw/zinc/42/34/13/949423413.db2.gz KKFMWUXTBBHDMG-SGTLLEGYSA-N -1 1 388.476 1.295 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1CCCC(F)(F)C1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574705623 949432914 /nfs/dbraw/zinc/43/29/14/949432914.db2.gz JILCECJOXKHMRR-GHMZBOCLSA-N -1 1 380.403 1.163 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574465159 949433809 /nfs/dbraw/zinc/43/38/09/949433809.db2.gz QHNZSXQDAYVCAL-BETUJISGSA-N -1 1 381.444 1.660 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574465159 949433822 /nfs/dbraw/zinc/43/38/22/949433822.db2.gz QHNZSXQDAYVCAL-BETUJISGSA-N -1 1 381.444 1.660 20 0 GDADMM CC(C)n1cccc1C(=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574465976 949447395 /nfs/dbraw/zinc/44/73/95/949447395.db2.gz YUWHQIGPGSJLPT-CYBMUJFWSA-N -1 1 381.444 1.756 20 0 GDADMM CC(C)n1cccc1C(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574465976 949447406 /nfs/dbraw/zinc/44/74/06/949447406.db2.gz YUWHQIGPGSJLPT-CYBMUJFWSA-N -1 1 381.444 1.756 20 0 GDADMM CC(C)(C)C(=O)NC[C@@H]1Cc2ccccc2CN1c1nccnc1-c1nnn[n-]1 ZINC001573803842 949454337 /nfs/dbraw/zinc/45/43/37/949454337.db2.gz ULZPCBHVTIWYFO-HNNXBMFYSA-N -1 1 392.467 1.750 20 0 GDADMM CC(C)(C)C(=O)NC[C@@H]1Cc2ccccc2CN1c1nccnc1-c1nn[n-]n1 ZINC001573803842 949454355 /nfs/dbraw/zinc/45/43/55/949454355.db2.gz ULZPCBHVTIWYFO-HNNXBMFYSA-N -1 1 392.467 1.750 20 0 GDADMM C[C@H]1CCC[C@@H](C(=O)N2C[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]3C2)C1 ZINC001576157234 949477360 /nfs/dbraw/zinc/47/73/60/949477360.db2.gz ZJMAIDQRZUMLND-LJISPDSOSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H]1CCC[C@@H](C(=O)N2C[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]3C2)C1 ZINC001576157234 949477373 /nfs/dbraw/zinc/47/73/73/949477373.db2.gz ZJMAIDQRZUMLND-LJISPDSOSA-N -1 1 382.472 1.378 20 0 GDADMM CC(C)(C)C(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001573805868 949477254 /nfs/dbraw/zinc/47/72/54/949477254.db2.gz CNIUYTBNYDUSPM-ZIAGYGMSSA-N -1 1 378.440 1.897 20 0 GDADMM CC(C)(C)C(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001573805868 949477271 /nfs/dbraw/zinc/47/72/71/949477271.db2.gz CNIUYTBNYDUSPM-ZIAGYGMSSA-N -1 1 378.440 1.897 20 0 GDADMM CC(C)CC(=O)N[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C[C@H]1O ZINC001574117687 949480082 /nfs/dbraw/zinc/48/00/82/949480082.db2.gz ZBJPQZHZXVVMPI-DTWKUNHWSA-N -1 1 385.881 1.079 20 0 GDADMM CC(C)CC(=O)N[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C[C@H]1O ZINC001574117687 949480095 /nfs/dbraw/zinc/48/00/95/949480095.db2.gz ZBJPQZHZXVVMPI-DTWKUNHWSA-N -1 1 385.881 1.079 20 0 GDADMM CC(C)n1nccc1C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574469767 949481902 /nfs/dbraw/zinc/48/19/02/949481902.db2.gz GQCDWAGYGQOMSP-CHWSQXEVSA-N -1 1 396.459 1.587 20 0 GDADMM CC(C)n1nccc1C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574469767 949481913 /nfs/dbraw/zinc/48/19/13/949481913.db2.gz GQCDWAGYGQOMSP-CHWSQXEVSA-N -1 1 396.459 1.587 20 0 GDADMM C[C@]1(C(=O)N2CC[C@@H](Nc3nc(-c4nn[n-]n4)c(Cl)s3)C2)CCOC1 ZINC001575537167 949490820 /nfs/dbraw/zinc/49/08/20/949490820.db2.gz SHRUIZKHTBHRIK-CLAHSXSESA-N -1 1 383.865 1.416 20 0 GDADMM CC(C)(C)C(=O)Nc1ccc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)cn1 ZINC001573806941 949499476 /nfs/dbraw/zinc/49/94/76/949499476.db2.gz YOPWAWZDYQZOFS-UHFFFAOYSA-N -1 1 380.412 1.571 20 0 GDADMM CC(C)(C)C(=O)Nc1ccc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)cn1 ZINC001573806941 949499493 /nfs/dbraw/zinc/49/94/93/949499493.db2.gz YOPWAWZDYQZOFS-UHFFFAOYSA-N -1 1 380.412 1.571 20 0 GDADMM C[C@@H](NC(=O)CC1CCCC1)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575267626 949502647 /nfs/dbraw/zinc/50/26/47/949502647.db2.gz IYXNXQYYPWBDHX-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](NC(=O)CC1CCCC1)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575267626 949502671 /nfs/dbraw/zinc/50/26/71/949502671.db2.gz IYXNXQYYPWBDHX-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CC(C)(C)O ZINC001576158998 949511709 /nfs/dbraw/zinc/51/17/09/949511709.db2.gz VOZTWNVAJSUEDL-XIKOKIGWSA-N -1 1 388.476 1.295 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CC(C)(C)O ZINC001576158998 949511725 /nfs/dbraw/zinc/51/17/25/949511725.db2.gz VOZTWNVAJSUEDL-XIKOKIGWSA-N -1 1 388.476 1.295 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2(F)CCCCC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575871501 949514522 /nfs/dbraw/zinc/51/45/22/949514522.db2.gz ABVBWVZLLZJCFF-QWHCGFSZSA-N -1 1 388.451 1.803 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2(F)CCCCC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575871501 949514535 /nfs/dbraw/zinc/51/45/35/949514535.db2.gz ABVBWVZLLZJCFF-QWHCGFSZSA-N -1 1 388.451 1.803 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2(F)CCCCC2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575871956 949524984 /nfs/dbraw/zinc/52/49/84/949524984.db2.gz DCZITQJYKQVZIB-QWHCGFSZSA-N -1 1 388.451 1.803 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2(F)CCCCC2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575871956 949524999 /nfs/dbraw/zinc/52/49/99/949524999.db2.gz DCZITQJYKQVZIB-QWHCGFSZSA-N -1 1 388.451 1.803 20 0 GDADMM CC(C)CC(=O)NC[C@H]1Cc2ccccc2CN1c1nccnc1-c1nnn[n-]1 ZINC001574122431 949528187 /nfs/dbraw/zinc/52/81/87/949528187.db2.gz WFTHJYRJSFCASE-MRXNPFEDSA-N -1 1 392.467 1.750 20 0 GDADMM CC(C)CC(=O)NC[C@H]1Cc2ccccc2CN1c1nccnc1-c1nn[n-]n1 ZINC001574122431 949528208 /nfs/dbraw/zinc/52/82/08/949528208.db2.gz WFTHJYRJSFCASE-MRXNPFEDSA-N -1 1 392.467 1.750 20 0 GDADMM CC1(C(=O)N2CCC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CC(F)(F)C1 ZINC001575538682 949528844 /nfs/dbraw/zinc/52/88/44/949528844.db2.gz IWSMHRAJYLPORM-SNVBAGLBSA-N -1 1 378.387 1.495 20 0 GDADMM CC1(C(=O)N2CCC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CC(F)(F)C1 ZINC001575538682 949528855 /nfs/dbraw/zinc/52/88/55/949528855.db2.gz IWSMHRAJYLPORM-SNVBAGLBSA-N -1 1 378.387 1.495 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2(CCF)CC2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576163372 949532365 /nfs/dbraw/zinc/53/23/65/949532365.db2.gz AQEBPQIJUKHISN-OCCSQVGLSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2(CCF)CC2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576163372 949532380 /nfs/dbraw/zinc/53/23/80/949532380.db2.gz AQEBPQIJUKHISN-OCCSQVGLSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@@H]1CCCC[C@@H]1OCC(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001576163980 949545399 /nfs/dbraw/zinc/54/53/99/949545399.db2.gz DVAWIDGAZGVMGN-MQYQWHSLSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H]1CCCC[C@@H]1OCC(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001576163980 949545410 /nfs/dbraw/zinc/54/54/10/949545410.db2.gz DVAWIDGAZGVMGN-MQYQWHSLSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2CC(F)(F)C2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576164500 949555569 /nfs/dbraw/zinc/55/55/69/949555569.db2.gz GRACBXYTONYCJS-ZYHUDNBSSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2CC(F)(F)C2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576164500 949555584 /nfs/dbraw/zinc/55/55/84/949555584.db2.gz GRACBXYTONYCJS-ZYHUDNBSSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CC(C)(C)C2CC2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575873444 949582970 /nfs/dbraw/zinc/58/29/70/949582970.db2.gz PGUABZOMBOYOSQ-JSGCOSHPSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CC(C)(C)C2CC2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575873444 949582983 /nfs/dbraw/zinc/58/29/83/949582983.db2.gz PGUABZOMBOYOSQ-JSGCOSHPSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC(C)(C)O)[C@@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576166715 949590206 /nfs/dbraw/zinc/59/02/06/949590206.db2.gz NYSCZWMSOHYYLD-TZMCWYRMSA-N -1 1 388.476 1.247 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC(C)(C)O)[C@@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576166715 949590225 /nfs/dbraw/zinc/59/02/25/949590225.db2.gz NYSCZWMSOHYYLD-TZMCWYRMSA-N -1 1 388.476 1.247 20 0 GDADMM CC1(C(=O)N2CCCC[C@H]2[C@H]2CCCN2c2nccnc2-c2nnn[n-]2)CC1 ZINC001575544926 949592558 /nfs/dbraw/zinc/59/25/58/949592558.db2.gz HOUJUZPYTZGWMV-KGLIPLIRSA-N -1 1 382.472 1.807 20 0 GDADMM CC1(C(=O)N2CCCC[C@H]2[C@H]2CCCN2c2nccnc2-c2nn[n-]n2)CC1 ZINC001575544926 949592574 /nfs/dbraw/zinc/59/25/74/949592574.db2.gz HOUJUZPYTZGWMV-KGLIPLIRSA-N -1 1 382.472 1.807 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574957189 949600532 /nfs/dbraw/zinc/60/05/32/949600532.db2.gz RZIYIBKYNLASBM-MXWKQRLJSA-N -1 1 398.393 1.942 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574957189 949600553 /nfs/dbraw/zinc/60/05/53/949600553.db2.gz RZIYIBKYNLASBM-MXWKQRLJSA-N -1 1 398.393 1.942 20 0 GDADMM C[C@H](CNC(=O)[C@H]1C[C@H]2C[C@H]2C1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001574957470 949613208 /nfs/dbraw/zinc/61/32/08/949613208.db2.gz YOPVCEFZXPNSRA-IMSYWVGJSA-N -1 1 381.893 1.964 20 0 GDADMM C[C@H](CNC(=O)[C@H]1C[C@H]2C[C@H]2C1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001574957470 949613222 /nfs/dbraw/zinc/61/32/22/949613222.db2.gz YOPVCEFZXPNSRA-IMSYWVGJSA-N -1 1 381.893 1.964 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C(C1CC1)C1CC1 ZINC001573814279 949639519 /nfs/dbraw/zinc/63/95/19/949639519.db2.gz CRSPPLVMUUYYDQ-CYBMUJFWSA-N -1 1 384.488 1.458 20 0 GDADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1C=CC=CC=C1 ZINC001573815011 949647971 /nfs/dbraw/zinc/64/79/71/949647971.db2.gz GANZFEDRMMQHGA-AWEZNQCLSA-N -1 1 380.456 1.320 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[nH]n2)nn1)NC(=O)c1ncccc1[O-] ZINC001573815515 949652883 /nfs/dbraw/zinc/65/28/83/949652883.db2.gz IELUXUXIIOECMN-LBPRGKRZSA-N -1 1 383.416 1.014 20 0 GDADMM C[C@H]1CCCN(C(=O)C2=COCCC2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576168920 949653873 /nfs/dbraw/zinc/65/38/73/949653873.db2.gz WPOLYYOEIHCXRD-WFASDCNBSA-N -1 1 384.444 1.390 20 0 GDADMM C[C@H]1CCCN(C(=O)C2=COCCC2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576168920 949653882 /nfs/dbraw/zinc/65/38/82/949653882.db2.gz WPOLYYOEIHCXRD-WFASDCNBSA-N -1 1 384.444 1.390 20 0 GDADMM C[C@H]1CCCN(C(=O)C2=CCOCC2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576168889 949654605 /nfs/dbraw/zinc/65/46/05/949654605.db2.gz WLKWSQKHBQHRDS-JSGCOSHPSA-N -1 1 384.444 1.042 20 0 GDADMM C[C@H]1CCCN(C(=O)C2=CCOCC2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576168889 949654615 /nfs/dbraw/zinc/65/46/15/949654615.db2.gz WLKWSQKHBQHRDS-JSGCOSHPSA-N -1 1 384.444 1.042 20 0 GDADMM C[C@@H](CC(=O)N(C)CCN(C)c1cnc(-c2nnn[n-]2)cn1)c1ccncc1 ZINC001574477427 949658019 /nfs/dbraw/zinc/65/80/19/949658019.db2.gz QZIRWMDAKVCYGH-ZDUSSCGKSA-N -1 1 381.444 1.140 20 0 GDADMM C[C@@H](CC(=O)N(C)CCN(C)c1cnc(-c2nn[n-]n2)cn1)c1ccncc1 ZINC001574477427 949658031 /nfs/dbraw/zinc/65/80/31/949658031.db2.gz QZIRWMDAKVCYGH-ZDUSSCGKSA-N -1 1 381.444 1.140 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@H]1CCC(F)(F)C1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574715647 949661914 /nfs/dbraw/zinc/66/19/14/949661914.db2.gz JVUMVALNIBOKHC-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@H]1CCC(F)(F)C1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574715647 949661929 /nfs/dbraw/zinc/66/19/29/949661929.db2.gz JVUMVALNIBOKHC-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H]1CCCN(C(=O)COC(C)(C)C)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576169074 949662185 /nfs/dbraw/zinc/66/21/85/949662185.db2.gz DRSVHUHAYORLKQ-OCCSQVGLSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H]1CCCN(C(=O)COC(C)(C)C)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576169074 949662197 /nfs/dbraw/zinc/66/21/97/949662197.db2.gz DRSVHUHAYORLKQ-OCCSQVGLSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](NC(=O)CCCC1CCOCC1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575273329 949662700 /nfs/dbraw/zinc/66/27/00/949662700.db2.gz WDEHDQGDMFLSPA-STQMWFEESA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H](NC(=O)CCCC1CCOCC1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575273329 949662717 /nfs/dbraw/zinc/66/27/17/949662717.db2.gz WDEHDQGDMFLSPA-STQMWFEESA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H]1[C@H](NC(=O)CCC(C)(F)F)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575877474 949666184 /nfs/dbraw/zinc/66/61/84/949666184.db2.gz ZVJGVQLQIKDSPX-WDEREUQCSA-N -1 1 380.403 1.566 20 0 GDADMM C[C@H]1[C@H](NC(=O)CCC(C)(F)F)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575877474 949666196 /nfs/dbraw/zinc/66/61/96/949666196.db2.gz ZVJGVQLQIKDSPX-WDEREUQCSA-N -1 1 380.403 1.566 20 0 GDADMM C[C@@H](CNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574958298 949667458 /nfs/dbraw/zinc/66/74/58/949667458.db2.gz OWVNRRKNSTVFEN-AGKSTNPPSA-N -1 1 392.467 1.791 20 0 GDADMM C[C@@H](CNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574958298 949667468 /nfs/dbraw/zinc/66/74/68/949667468.db2.gz OWVNRRKNSTVFEN-AGKSTNPPSA-N -1 1 392.467 1.791 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H]1CCCOCC1 ZINC001573816175 949672502 /nfs/dbraw/zinc/67/25/02/949672502.db2.gz PLCREYBFEIQNTH-TZMCWYRMSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H]1CCCOCC1 ZINC001573816175 949672518 /nfs/dbraw/zinc/67/25/18/949672518.db2.gz PLCREYBFEIQNTH-TZMCWYRMSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@@H](CC(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1)n1cccn1 ZINC001574477814 949680501 /nfs/dbraw/zinc/68/05/01/949680501.db2.gz UVXSKDMLMAJPAL-LBPRGKRZSA-N -1 1 386.485 1.419 20 0 GDADMM CC1(C(=O)N2C[C@@H](c3ccccc3)[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575553719 949692209 /nfs/dbraw/zinc/69/22/09/949692209.db2.gz PBKNWVJKMLKWDG-LSDHHAIUSA-N -1 1 390.451 1.285 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@H]1CCCC1(F)F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574716433 949693654 /nfs/dbraw/zinc/69/36/54/949693654.db2.gz OJQSEVWBABAWJG-WDEREUQCSA-N -1 1 380.403 1.163 20 0 GDADMM C[C@@H]1CCCN(C(=O)CCC(F)F)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576170013 949703224 /nfs/dbraw/zinc/70/32/24/949703224.db2.gz IOUOINZMNDOKHK-PWSUYJOCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H]1CCCN(C(=O)CCC(F)F)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576170013 949703244 /nfs/dbraw/zinc/70/32/44/949703244.db2.gz IOUOINZMNDOKHK-PWSUYJOCSA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@]1(C)CCCOC1 ZINC001575557122 949705289 /nfs/dbraw/zinc/70/52/89/949705289.db2.gz ASZHHLCDIWVBOC-SCLBCKFNSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@]1(C)CCCOC1 ZINC001575557122 949705306 /nfs/dbraw/zinc/70/53/06/949705306.db2.gz ASZHHLCDIWVBOC-SCLBCKFNSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001574478405 949707092 /nfs/dbraw/zinc/70/70/92/949707092.db2.gz ZCEIBSKZQLGCGH-UWVGGRQHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001574478405 949707110 /nfs/dbraw/zinc/70/71/10/949707110.db2.gz ZCEIBSKZQLGCGH-UWVGGRQHSA-N -1 1 384.366 1.282 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C1(C)CCOCC1 ZINC001575557268 949713569 /nfs/dbraw/zinc/71/35/69/949713569.db2.gz FUQTWJPCGKDZTI-CYBMUJFWSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C1(C)CCOCC1 ZINC001575557268 949713585 /nfs/dbraw/zinc/71/35/85/949713585.db2.gz FUQTWJPCGKDZTI-CYBMUJFWSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@H]1[C@H](NC(=O)COC2CCCC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575881308 949717611 /nfs/dbraw/zinc/71/76/11/949717611.db2.gz XHKFSLCPQIMJJE-GXTWGEPZSA-N -1 1 386.460 1.089 20 0 GDADMM C[C@H]1[C@H](NC(=O)COC2CCCC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575881308 949717630 /nfs/dbraw/zinc/71/76/30/949717630.db2.gz XHKFSLCPQIMJJE-GXTWGEPZSA-N -1 1 386.460 1.089 20 0 GDADMM C[C@H]1CCCN(C(=O)Cc2ccccc2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576170472 949720751 /nfs/dbraw/zinc/72/07/51/949720751.db2.gz LDYBYMDWBQYIMV-WMLDXEAASA-N -1 1 392.467 1.938 20 0 GDADMM C[C@H]1CCCN(C(=O)Cc2ccccc2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576170472 949720765 /nfs/dbraw/zinc/72/07/65/949720765.db2.gz LDYBYMDWBQYIMV-WMLDXEAASA-N -1 1 392.467 1.938 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574960206 949722301 /nfs/dbraw/zinc/72/23/01/949722301.db2.gz VPQJPTUVKSNJFS-FKTZTGRPSA-N -1 1 381.893 1.964 20 0 GDADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1occc1Cl ZINC001573818197 949722821 /nfs/dbraw/zinc/72/28/21/949722821.db2.gz IDNLRQKCKGPDJY-JTQLQIEISA-N -1 1 390.835 1.582 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001573820328 949762848 /nfs/dbraw/zinc/76/28/48/949762848.db2.gz XTZVDIXBVZXXJB-LALPHHSUSA-N -1 1 396.455 1.996 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001573820328 949762866 /nfs/dbraw/zinc/76/28/66/949762866.db2.gz XTZVDIXBVZXXJB-LALPHHSUSA-N -1 1 396.455 1.996 20 0 GDADMM C[C@@H]1CCCC[C@@H]1CC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001576171412 949763458 /nfs/dbraw/zinc/76/34/58/949763458.db2.gz PXIJPXDXQNBQMP-OSHGBCRDSA-N -1 1 382.472 1.424 20 0 GDADMM C[C@@H]1CCCC[C@@H]1CC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001576171412 949763480 /nfs/dbraw/zinc/76/34/80/949763480.db2.gz PXIJPXDXQNBQMP-OSHGBCRDSA-N -1 1 382.472 1.424 20 0 GDADMM C[C@@H]1CCCC[C@H]1CC(=O)NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001576171739 949777565 /nfs/dbraw/zinc/77/75/65/949777565.db2.gz RNIDEVZIDFONSM-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)C[C@H](C)CC(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC001574138180 949781254 /nfs/dbraw/zinc/78/12/54/949781254.db2.gz BIXBYXCSGKDZFD-UONOGXRCSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)C[C@H](C)CC(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC001574138180 949781271 /nfs/dbraw/zinc/78/12/71/949781271.db2.gz BIXBYXCSGKDZFD-UONOGXRCSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@H](CC(=O)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1)C(F)(F)F ZINC001574481522 949782447 /nfs/dbraw/zinc/78/24/47/949782447.db2.gz QUEYEJAZYMKYPN-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](CC(=O)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1)C(F)(F)F ZINC001574481522 949782460 /nfs/dbraw/zinc/78/24/60/949782460.db2.gz QUEYEJAZYMKYPN-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM CC1(C(=O)NC2CC3(C2)CC(Nc2ccc(-c4nnn[n-]4)nn2)C3)CC=CC1 ZINC001575560224 949785252 /nfs/dbraw/zinc/78/52/52/949785252.db2.gz MYTUKGJAZMGXJE-UHFFFAOYSA-N -1 1 380.456 1.852 20 0 GDADMM CC1(C(=O)NC2CC3(C2)CC(Nc2ccc(-c4nn[n-]n4)nn2)C3)CC=CC1 ZINC001575560224 949785264 /nfs/dbraw/zinc/78/52/64/949785264.db2.gz MYTUKGJAZMGXJE-UHFFFAOYSA-N -1 1 380.456 1.852 20 0 GDADMM C[C@@H]1CCCC[C@H]1C(=O)N1CCC(N(C)c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576171976 949788302 /nfs/dbraw/zinc/78/83/02/949788302.db2.gz RZEZARAZGMRTDI-UKRRQHHQSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCCC[C@H]1C(=O)N1CCC(N(C)c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576171976 949788321 /nfs/dbraw/zinc/78/83/21/949788321.db2.gz RZEZARAZGMRTDI-UKRRQHHQSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)c1ccco1 ZINC001574481733 949798571 /nfs/dbraw/zinc/79/85/71/949798571.db2.gz UMXJFEMLNIMKHO-OLZOCXBDSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@@H](CN(C)C(=O)CCCc1cccs1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574720665 949798770 /nfs/dbraw/zinc/79/87/70/949798770.db2.gz FXGFKRFLWCPVDB-LBPRGKRZSA-N -1 1 386.485 1.422 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)c1ccco1 ZINC001574481733 949798589 /nfs/dbraw/zinc/79/85/89/949798589.db2.gz UMXJFEMLNIMKHO-OLZOCXBDSA-N -1 1 382.428 1.704 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C1(C(F)F)CC1 ZINC001573822947 949808604 /nfs/dbraw/zinc/80/86/04/949808604.db2.gz NZMLNGIKRVNRKB-SECBINFHSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C1(C(F)F)CC1 ZINC001573822947 949808624 /nfs/dbraw/zinc/80/86/24/949808624.db2.gz NZMLNGIKRVNRKB-SECBINFHSA-N -1 1 380.403 1.645 20 0 GDADMM CC1(C(=O)N[C@H]2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CC(F)(F)C1 ZINC001575561610 949808938 /nfs/dbraw/zinc/80/89/38/949808938.db2.gz BMVTWIJMOLVHHL-QWRGUYRKSA-N -1 1 392.414 1.931 20 0 GDADMM CC1(C(=O)N[C@H]2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CC(F)(F)C1 ZINC001575561610 949808963 /nfs/dbraw/zinc/80/89/63/949808963.db2.gz BMVTWIJMOLVHHL-QWRGUYRKSA-N -1 1 392.414 1.931 20 0 GDADMM C[C@H]1CC[C@H](C(=O)N[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)[C@@H]2C)CC1 ZINC001575883260 949808932 /nfs/dbraw/zinc/80/89/32/949808932.db2.gz QFYPKWPVTYGDEC-KBUPBQIOSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H]1CC[C@H](C(=O)N[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)[C@@H]2C)CC1 ZINC001575883260 949808957 /nfs/dbraw/zinc/80/89/57/949808957.db2.gz QFYPKWPVTYGDEC-KBUPBQIOSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H](CN(C)C(=O)CCCc1cccs1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574721134 949810440 /nfs/dbraw/zinc/81/04/40/949810440.db2.gz JMDDRWNOSRLUGQ-GFCCVEGCSA-N -1 1 386.485 2.000 20 0 GDADMM C[C@H](CN(C)C(=O)CCCc1cccs1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574721134 949810465 /nfs/dbraw/zinc/81/04/65/949810465.db2.gz JMDDRWNOSRLUGQ-GFCCVEGCSA-N -1 1 386.485 2.000 20 0 GDADMM C[C@@]1(C(=O)NC2CCC(Nc3ccc(-c4nnn[n-]4)nn3)CC2)CCCOC1 ZINC001575562344 949819680 /nfs/dbraw/zinc/81/96/80/949819680.db2.gz FOHFZGPEJMAXPY-PWGQDJSOSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@]1(C(=O)NC2CCC(Nc3ccc(-c4nn[n-]n4)nn3)CC2)CCCOC1 ZINC001575562344 949819699 /nfs/dbraw/zinc/81/96/99/949819699.db2.gz FOHFZGPEJMAXPY-PWGQDJSOSA-N -1 1 386.460 1.313 20 0 GDADMM CC1(C(=O)N[C@H]2CC[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)CC(F)(F)C1 ZINC001575562992 949830047 /nfs/dbraw/zinc/83/00/47/949830047.db2.gz IYAWBCOTPRBILJ-MNOVXSKESA-N -1 1 392.414 1.789 20 0 GDADMM CC1(C(=O)N[C@H]2CC[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)CC(F)(F)C1 ZINC001575562992 949830058 /nfs/dbraw/zinc/83/00/58/949830058.db2.gz IYAWBCOTPRBILJ-MNOVXSKESA-N -1 1 392.414 1.789 20 0 GDADMM C[C@H]1CCCC[C@@H]1CC(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576173033 949831508 /nfs/dbraw/zinc/83/15/08/949831508.db2.gz WNAMAVZBYFKOAC-LSDHHAIUSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@H]1CCCC[C@@H]1CC(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576173033 949831527 /nfs/dbraw/zinc/83/15/27/949831527.db2.gz WNAMAVZBYFKOAC-LSDHHAIUSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cc[nH]c(=O)c1 ZINC001573823791 949837889 /nfs/dbraw/zinc/83/78/89/949837889.db2.gz YQEACPPHXPAKEE-LLVKDONJSA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cc[nH]c(=O)c1 ZINC001573823791 949837920 /nfs/dbraw/zinc/83/79/20/949837920.db2.gz YQEACPPHXPAKEE-LLVKDONJSA-N -1 1 383.416 1.014 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)C1CC1 ZINC001574483780 949841327 /nfs/dbraw/zinc/84/13/27/949841327.db2.gz LZZLDZGYGMUUGO-IVMMDQJWSA-N -1 1 382.472 1.520 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)C1CC1 ZINC001574483780 949841346 /nfs/dbraw/zinc/84/13/46/949841346.db2.gz LZZLDZGYGMUUGO-IVMMDQJWSA-N -1 1 382.472 1.520 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)Cc1ccsc1 ZINC001573823814 949842904 /nfs/dbraw/zinc/84/29/04/949842904.db2.gz ZGPCEORSSGSKFS-LBPRGKRZSA-N -1 1 386.485 1.904 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)Cc1ccsc1 ZINC001573823814 949842920 /nfs/dbraw/zinc/84/29/20/949842920.db2.gz ZGPCEORSSGSKFS-LBPRGKRZSA-N -1 1 386.485 1.904 20 0 GDADMM C[C@@H](CNC(=O)[C@H]1C[C@@H]1C(F)F)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574966314 949844406 /nfs/dbraw/zinc/84/44/06/949844406.db2.gz WYWJGUGHKQUANS-ZLUOBGJFSA-N -1 1 377.808 1.794 20 0 GDADMM C[C@@H](CNC(=O)[C@H]1C[C@@H]1C(F)F)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574966314 949844419 /nfs/dbraw/zinc/84/44/19/949844419.db2.gz WYWJGUGHKQUANS-ZLUOBGJFSA-N -1 1 377.808 1.794 20 0 GDADMM C[C@H]1CC[C@H](C(=O)N[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)[C@H]2C)CC1 ZINC001575884644 949846001 /nfs/dbraw/zinc/84/60/01/949846001.db2.gz VFIPHLMFVGZIAY-AJNGGQMLSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H]1CC[C@H](C(=O)N[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)[C@H]2C)CC1 ZINC001575884644 949846022 /nfs/dbraw/zinc/84/60/22/949846022.db2.gz VFIPHLMFVGZIAY-AJNGGQMLSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@@H](CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1)c1ccccc1 ZINC001574484047 949851837 /nfs/dbraw/zinc/85/18/37/949851837.db2.gz RIPLMVJUFMBYAI-AWEZNQCLSA-N -1 1 378.440 1.499 20 0 GDADMM C[C@@H](CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1)c1ccccc1 ZINC001574484047 949851858 /nfs/dbraw/zinc/85/18/58/949851858.db2.gz RIPLMVJUFMBYAI-AWEZNQCLSA-N -1 1 378.440 1.499 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001574484191 949864387 /nfs/dbraw/zinc/86/43/87/949864387.db2.gz FFLOFXNOGJPUDZ-NXEZZACHSA-N -1 1 384.366 1.070 20 0 GDADMM CC(C)C[C@H](C)CC(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001574142378 949865570 /nfs/dbraw/zinc/86/55/70/949865570.db2.gz YGPPJMODKCTWKR-ZQDZILKHSA-N -1 1 384.488 1.527 20 0 GDADMM CC(C)C[C@H](C)CC(=O)NC[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001574142378 949865597 /nfs/dbraw/zinc/86/55/97/949865597.db2.gz YGPPJMODKCTWKR-ZQDZILKHSA-N -1 1 384.488 1.527 20 0 GDADMM CC1(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)CC2)CC(F)(F)C1 ZINC001575564944 949871740 /nfs/dbraw/zinc/87/17/40/949871740.db2.gz UDFCTLGGXWRNIG-LLVKDONJSA-N -1 1 392.414 1.567 20 0 GDADMM CC1(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)CC2)CC(F)(F)C1 ZINC001575564944 949871767 /nfs/dbraw/zinc/87/17/67/949871767.db2.gz UDFCTLGGXWRNIG-LLVKDONJSA-N -1 1 392.414 1.567 20 0 GDADMM C[C@H](CNC(=O)c1cnc(-c2ccccc2)[nH]1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574967749 949879247 /nfs/dbraw/zinc/87/92/47/949879247.db2.gz JRYYCPURJBUVDB-LLVKDONJSA-N -1 1 390.411 1.277 20 0 GDADMM C[C@@H](CC(=O)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)n1cccc1 ZINC001574484491 949881223 /nfs/dbraw/zinc/88/12/23/949881223.db2.gz HUZVZWORIKMPRH-AWEZNQCLSA-N -1 1 381.444 1.148 20 0 GDADMM C[C@@H](CC(=O)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)n1cccc1 ZINC001574484491 949881248 /nfs/dbraw/zinc/88/12/48/949881248.db2.gz HUZVZWORIKMPRH-AWEZNQCLSA-N -1 1 381.444 1.148 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001574484541 949889361 /nfs/dbraw/zinc/88/93/61/949889361.db2.gz JTJFFTYUJRAWIO-VHSXEESVSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001574484541 949889382 /nfs/dbraw/zinc/88/93/82/949889382.db2.gz JTJFFTYUJRAWIO-VHSXEESVSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1)C(F)(F)F ZINC001574484676 949892374 /nfs/dbraw/zinc/89/23/74/949892374.db2.gz LXDUBVCJHLVPJY-UWVGGRQHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1)C(F)(F)F ZINC001574484676 949892391 /nfs/dbraw/zinc/89/23/91/949892391.db2.gz LXDUBVCJHLVPJY-UWVGGRQHSA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001573826307 949904935 /nfs/dbraw/zinc/90/49/35/949904935.db2.gz GPHQONXDLYWKGO-QWHCGFSZSA-N -1 1 389.460 1.240 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)CC(C)(C)C ZINC001574484868 949908999 /nfs/dbraw/zinc/90/89/99/949908999.db2.gz QILZYEKCMJUDRX-KGLIPLIRSA-N -1 1 386.504 1.944 20 0 GDADMM C[C@@H](NC(=O)COC(C)(C)C)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575284750 949918366 /nfs/dbraw/zinc/91/83/66/949918366.db2.gz WKBOWQQWWOLOOA-OLZOCXBDSA-N -1 1 388.476 1.193 20 0 GDADMM CC1(C(=O)NC2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)CC(F)(F)C1 ZINC001575569646 949924270 /nfs/dbraw/zinc/92/42/70/949924270.db2.gz MFUXAXUCEFLKDN-UHFFFAOYSA-N -1 1 378.387 1.177 20 0 GDADMM CC1(C(=O)NC2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)CC(F)(F)C1 ZINC001575569646 949924289 /nfs/dbraw/zinc/92/42/89/949924289.db2.gz MFUXAXUCEFLKDN-UHFFFAOYSA-N -1 1 378.387 1.177 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1)c1ccncc1 ZINC001574487668 949933770 /nfs/dbraw/zinc/93/37/70/949933770.db2.gz AVGBFZJRGVKHPI-SNPRPXQTSA-N -1 1 391.439 1.035 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1)c1ccncc1 ZINC001574487668 949933787 /nfs/dbraw/zinc/93/37/87/949933787.db2.gz AVGBFZJRGVKHPI-SNPRPXQTSA-N -1 1 391.439 1.035 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574146257 949938319 /nfs/dbraw/zinc/93/83/19/949938319.db2.gz WZIPSQIYMUSXFG-ZIAGYGMSSA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574146257 949938332 /nfs/dbraw/zinc/93/83/32/949938332.db2.gz WZIPSQIYMUSXFG-ZIAGYGMSSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](NC(=O)CN(C)c1ccccc1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575285262 949942492 /nfs/dbraw/zinc/94/24/92/949942492.db2.gz LYZIXGXODOJQMR-QWHCGFSZSA-N -1 1 381.444 1.098 20 0 GDADMM C[C@@H](NC(=O)CN(C)c1ccccc1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575285262 949942502 /nfs/dbraw/zinc/94/25/02/949942502.db2.gz LYZIXGXODOJQMR-QWHCGFSZSA-N -1 1 381.444 1.098 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574488426 949949536 /nfs/dbraw/zinc/94/95/36/949949536.db2.gz FVOHGVPRZNDWAD-YNEHKIRRSA-N -1 1 382.428 1.124 20 0 GDADMM CC(C)(C)/C=C/C(=O)N1CC[C@@H]2[C@H](CCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573829403 949957642 /nfs/dbraw/zinc/95/76/42/949957642.db2.gz YYYGHCHDVHAWSJ-YFOKADDASA-N -1 1 382.472 1.686 20 0 GDADMM CC(C)(C)/C=C/C(=O)N1CC[C@@H]2[C@H](CCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573829403 949957651 /nfs/dbraw/zinc/95/76/51/949957651.db2.gz YYYGHCHDVHAWSJ-YFOKADDASA-N -1 1 382.472 1.686 20 0 GDADMM C[C@@H](CN(C)C(=O)COc1ccc(F)cc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574727556 949971729 /nfs/dbraw/zinc/97/17/29/949971729.db2.gz VGKCHOCTFHEZNX-NSHDSACASA-N -1 1 386.391 1.134 20 0 GDADMM C[C@@H](CN(C)C(=O)COc1ccc(F)cc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574727556 949971742 /nfs/dbraw/zinc/97/17/42/949971742.db2.gz VGKCHOCTFHEZNX-NSHDSACASA-N -1 1 386.391 1.134 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cscn2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576180976 949978499 /nfs/dbraw/zinc/97/84/99/949978499.db2.gz QUYQLJZXQWFTDK-GXFFZTMASA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cscn2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576180976 949978517 /nfs/dbraw/zinc/97/85/17/949978517.db2.gz QUYQLJZXQWFTDK-GXFFZTMASA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1)c1ccncc1 ZINC001574490387 949988729 /nfs/dbraw/zinc/98/87/29/949988729.db2.gz QUTXJTFQLPFLQA-QEJZJMRPSA-N -1 1 391.439 1.035 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1)c1ccncc1 ZINC001574490387 949988755 /nfs/dbraw/zinc/98/87/55/949988755.db2.gz QUTXJTFQLPFLQA-QEJZJMRPSA-N -1 1 391.439 1.035 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ccc(Cl)cc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574728548 949997259 /nfs/dbraw/zinc/99/72/59/949997259.db2.gz CTDAYBOIOMQBIE-NSHDSACASA-N -1 1 386.847 1.812 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ccc(Cl)cc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574728548 949997279 /nfs/dbraw/zinc/99/72/79/949997279.db2.gz CTDAYBOIOMQBIE-NSHDSACASA-N -1 1 386.847 1.812 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(CF)CCC2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576181487 950007082 /nfs/dbraw/zinc/00/70/82/950007082.db2.gz INHFEQUJTLVCMT-CHWSQXEVSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(CF)CCC2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576181487 950007102 /nfs/dbraw/zinc/00/71/02/950007102.db2.gz INHFEQUJTLVCMT-CHWSQXEVSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@H](CC(=O)N[C@@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001574491242 950026877 /nfs/dbraw/zinc/02/68/77/950026877.db2.gz BNTIVVRKPFYKOZ-OTYXRUKQSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](CC(=O)N[C@@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001574491242 950026898 /nfs/dbraw/zinc/02/68/98/950026898.db2.gz BNTIVVRKPFYKOZ-OTYXRUKQSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ccc(Cl)s1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574730981 950041782 /nfs/dbraw/zinc/04/17/82/950041782.db2.gz UVELFOIDBFUWRE-VIFPVBQESA-N -1 1 392.876 1.295 20 0 GDADMM CC1(C(=O)NC[C@H](Nc2nccnc2-c2nnn[n-]2)C2CC2)CC(F)(F)C1 ZINC001575575434 950050676 /nfs/dbraw/zinc/05/06/76/950050676.db2.gz JFWNYDAKTOSZHB-JTQLQIEISA-N -1 1 378.387 1.399 20 0 GDADMM CC1(C(=O)NC[C@H](Nc2nccnc2-c2nn[n-]n2)C2CC2)CC(F)(F)C1 ZINC001575575434 950050699 /nfs/dbraw/zinc/05/06/99/950050699.db2.gz JFWNYDAKTOSZHB-JTQLQIEISA-N -1 1 378.387 1.399 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ccc(Cl)cc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574731506 950052205 /nfs/dbraw/zinc/05/22/05/950052205.db2.gz VTQWTUFFKVFZKG-LLVKDONJSA-N -1 1 386.847 1.234 20 0 GDADMM CC(C)(C)CC(=O)NC1(C2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CC1 ZINC001573835398 950055131 /nfs/dbraw/zinc/05/51/31/950055131.db2.gz WVKSVNKCGCTLAU-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C)CC(=O)NC1(C2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CC1 ZINC001573835398 950055154 /nfs/dbraw/zinc/05/51/54/950055154.db2.gz WVKSVNKCGCTLAU-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1cccnc1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574731954 950056855 /nfs/dbraw/zinc/05/68/55/950056855.db2.gz YSXNHRPPXFVRSJ-SECBINFHSA-N -1 1 392.876 1.873 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2cccc(F)c2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575892263 950066426 /nfs/dbraw/zinc/06/64/26/950066426.db2.gz UZZGLVDKIWLWKE-SMDDNHRTSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2cccc(F)c2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575892263 950066445 /nfs/dbraw/zinc/06/64/45/950066445.db2.gz UZZGLVDKIWLWKE-SMDDNHRTSA-N -1 1 382.403 1.583 20 0 GDADMM CC1(C(=O)NC[C@H](O)CNc2nc(Cl)c(-c3nnn[n-]3)s2)CCCC1 ZINC001575576904 950077448 /nfs/dbraw/zinc/07/74/48/950077448.db2.gz SXXWRQWSVPNJIU-QMMMGPOBSA-N -1 1 385.881 1.446 20 0 GDADMM CC1(C(=O)NC[C@H](O)CNc2nc(Cl)c(-c3nn[n-]n3)s2)CCCC1 ZINC001575576904 950077468 /nfs/dbraw/zinc/07/74/68/950077468.db2.gz SXXWRQWSVPNJIU-QMMMGPOBSA-N -1 1 385.881 1.446 20 0 GDADMM C[C@H]1CCN(C(=O)C2CC(F)(F)C2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576183587 950093749 /nfs/dbraw/zinc/09/37/49/950093749.db2.gz QHHBABHQWLZPGN-JQWIXIFHSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H]1CCN(C(=O)C2CC(F)(F)C2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576183587 950093773 /nfs/dbraw/zinc/09/37/73/950093773.db2.gz QHHBABHQWLZPGN-JQWIXIFHSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2ccoc2Cl)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575894590 950105878 /nfs/dbraw/zinc/10/58/78/950105878.db2.gz FJRGXTIMFARJTF-ONGXEEELSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cccn2C)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576184750 950142958 /nfs/dbraw/zinc/14/29/58/950142958.db2.gz XLKNLYFMFPKCTG-TZMCWYRMSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cccn2C)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576184750 950142975 /nfs/dbraw/zinc/14/29/75/950142975.db2.gz XLKNLYFMFPKCTG-TZMCWYRMSA-N -1 1 381.444 1.348 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@@](C)(O)C1CC1 ZINC001574154083 950164894 /nfs/dbraw/zinc/16/48/94/950164894.db2.gz AZCDYNPCCYIPEJ-FZKQIMNGSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@@](C)(O)C1CC1 ZINC001574154083 950164904 /nfs/dbraw/zinc/16/49/04/950164904.db2.gz AZCDYNPCCYIPEJ-FZKQIMNGSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)[C@H](CNC(=O)C[C@@H](C)c1ccco1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574494603 950173596 /nfs/dbraw/zinc/17/35/96/950173596.db2.gz LUAVKGZFICDBDK-OCCSQVGLSA-N -1 1 384.444 1.996 20 0 GDADMM CC(C)[C@H](CNC(=O)C[C@@H](C)c1ccco1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574494603 950173606 /nfs/dbraw/zinc/17/36/06/950173606.db2.gz LUAVKGZFICDBDK-OCCSQVGLSA-N -1 1 384.444 1.996 20 0 GDADMM CC(C)(C)CC[C@@H](NC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1)C(N)=O ZINC001573843445 950179245 /nfs/dbraw/zinc/17/92/45/950179245.db2.gz YDSVKZDGNAXRTJ-SNVBAGLBSA-N -1 1 399.377 1.691 20 0 GDADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CCc1ccco1 ZINC001574155015 950184327 /nfs/dbraw/zinc/18/43/27/950184327.db2.gz HZCMJVLTOJLSQF-ZDUSSCGKSA-N -1 1 384.444 1.247 20 0 GDADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)C(F)(F)F ZINC001574155579 950200241 /nfs/dbraw/zinc/20/02/41/950200241.db2.gz OHFBMFXTWVTXCJ-UWVGGRQHSA-N -1 1 386.382 1.220 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573844590 950200409 /nfs/dbraw/zinc/20/04/09/950200409.db2.gz CKHKGLCKKJHIIC-UONOGXRCSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H]1CCC1(F)F ZINC001574155643 950200468 /nfs/dbraw/zinc/20/04/68/950200468.db2.gz PKAZBRRRQHWHPT-WDEREUQCSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H]1CCC1(F)F ZINC001574155643 950200487 /nfs/dbraw/zinc/20/04/87/950200487.db2.gz PKAZBRRRQHWHPT-WDEREUQCSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCC1(F)F ZINC001574155577 950203295 /nfs/dbraw/zinc/20/32/95/950203295.db2.gz OFIZGVBVYHLHNU-WDEREUQCSA-N -1 1 380.403 1.067 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H](C)c1ccco1 ZINC001574156230 950232105 /nfs/dbraw/zinc/23/21/05/950232105.db2.gz ZGYZZCNKNVVDLX-CHWSQXEVSA-N -1 1 384.444 1.996 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H](C)c1ccco1 ZINC001574156230 950232121 /nfs/dbraw/zinc/23/21/21/950232121.db2.gz ZGYZZCNKNVVDLX-CHWSQXEVSA-N -1 1 384.444 1.996 20 0 GDADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cccc(F)c1 ZINC001574157710 950248938 /nfs/dbraw/zinc/24/89/38/950248938.db2.gz HCZVDEQRYMTSQG-CQSZACIVSA-N -1 1 384.419 1.474 20 0 GDADMM C[C@H](CC(=O)NC[C@@]1(C)CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CC1 ZINC001574498115 950259630 /nfs/dbraw/zinc/25/96/30/950259630.db2.gz KCXVLYLGZIMLAX-BFUOFWGJSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](CC(=O)NC[C@@]1(C)CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CC1 ZINC001574498115 950259652 /nfs/dbraw/zinc/25/96/52/950259652.db2.gz KCXVLYLGZIMLAX-BFUOFWGJSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2sccc2F)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575902472 950259933 /nfs/dbraw/zinc/25/99/33/950259933.db2.gz VMLSMXRHWQLMPW-ONGXEEELSA-N -1 1 388.432 1.645 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2sccc2F)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575902472 950259951 /nfs/dbraw/zinc/25/99/51/950259951.db2.gz VMLSMXRHWQLMPW-ONGXEEELSA-N -1 1 388.432 1.645 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)Cc1ccccc1 ZINC001574158321 950276795 /nfs/dbraw/zinc/27/67/95/950276795.db2.gz QTUIVNYKKZFKFJ-HNNXBMFYSA-N -1 1 380.456 1.842 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)Cc1ccccc1 ZINC001574158321 950276812 /nfs/dbraw/zinc/27/68/12/950276812.db2.gz QTUIVNYKKZFKFJ-HNNXBMFYSA-N -1 1 380.456 1.842 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H]1C[C@@H]1C(F)F ZINC001574158740 950284936 /nfs/dbraw/zinc/28/49/36/950284936.db2.gz RQKXZOMPDPKIEN-VWYCJHECSA-N -1 1 380.403 1.501 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H]1C[C@@H]1C(F)F ZINC001574158740 950284955 /nfs/dbraw/zinc/28/49/55/950284955.db2.gz RQKXZOMPDPKIEN-VWYCJHECSA-N -1 1 380.403 1.501 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCC1)[C@@H]1CCCO1 ZINC001574498907 950288306 /nfs/dbraw/zinc/28/83/06/950288306.db2.gz RCJLRAPZZWCEDL-OCCSQVGLSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCC1)[C@@H]1CCCO1 ZINC001574498907 950288325 /nfs/dbraw/zinc/28/83/25/950288325.db2.gz RCJLRAPZZWCEDL-OCCSQVGLSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](CC(=O)NCC1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001574499757 950301634 /nfs/dbraw/zinc/30/16/34/950301634.db2.gz WUEAHAUNWVIZKE-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C)OC(=O)N1CCC(NC(=O)Nc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001573852074 950303728 /nfs/dbraw/zinc/30/37/28/950303728.db2.gz CGNXWJDYBJRTTF-UHFFFAOYSA-N -1 1 388.432 1.783 20 0 GDADMM CC(C)(C)OC(=O)N1CCC(NC(=O)Nc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001573852074 950303748 /nfs/dbraw/zinc/30/37/48/950303748.db2.gz CGNXWJDYBJRTTF-UHFFFAOYSA-N -1 1 388.432 1.783 20 0 GDADMM CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2n[nH]cc2-c2nnn[n-]2)C(C)(C)C1 ZINC001573852076 950303997 /nfs/dbraw/zinc/30/39/97/950303997.db2.gz CHQGCCXBAGPNTA-SNVBAGLBSA-N -1 1 376.421 1.421 20 0 GDADMM CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2n[nH]cc2-c2nn[n-]n2)C(C)(C)C1 ZINC001573852076 950304018 /nfs/dbraw/zinc/30/40/18/950304018.db2.gz CHQGCCXBAGPNTA-SNVBAGLBSA-N -1 1 376.421 1.421 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[C@@](C)(O)C1CC1 ZINC001574159791 950321359 /nfs/dbraw/zinc/32/13/59/950321359.db2.gz IZPSNIQCSWDVOJ-SCLBCKFNSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[C@@](C)(O)C1CC1 ZINC001574159791 950321385 /nfs/dbraw/zinc/32/13/85/950321385.db2.gz IZPSNIQCSWDVOJ-SCLBCKFNSA-N -1 1 388.476 1.151 20 0 GDADMM CC1(C(=O)NC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CCC2(F)F)CC1 ZINC001575594985 950346822 /nfs/dbraw/zinc/34/68/22/950346822.db2.gz 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CC1(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nnn[n-]2)CCC1 ZINC001575597461 950410946 /nfs/dbraw/zinc/41/09/46/950410946.db2.gz QERNBMKTKFCJLP-BTTYYORXSA-N -1 1 382.472 1.711 20 0 GDADMM CC1(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nn[n-]n2)CCC1 ZINC001575597461 950410961 /nfs/dbraw/zinc/41/09/61/950410961.db2.gz QERNBMKTKFCJLP-BTTYYORXSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574503495 950414352 /nfs/dbraw/zinc/41/43/52/950414352.db2.gz XJMHODPORUOHPI-VHSXEESVSA-N -1 1 384.366 1.188 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H](C)n1cccn1 ZINC001574163381 950421054 /nfs/dbraw/zinc/42/10/54/950421054.db2.gz SWWXTZXEOYDRPF-CHWSQXEVSA-N -1 1 384.448 1.057 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H](C)n1cccn1 ZINC001574163381 950421066 /nfs/dbraw/zinc/42/10/66/950421066.db2.gz SWWXTZXEOYDRPF-CHWSQXEVSA-N -1 1 384.448 1.057 20 0 GDADMM CC(C)CC1(C(=O)N(C)[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CCC1 ZINC001574163548 950426252 /nfs/dbraw/zinc/42/62/52/950426252.db2.gz VVGJNHFNDBRXHG-AWEZNQCLSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CC1(C(=O)N(C)[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CCC1 ZINC001574163548 950426269 /nfs/dbraw/zinc/42/62/69/950426269.db2.gz VVGJNHFNDBRXHG-AWEZNQCLSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CC[C@H]1CCOC1 ZINC001574163539 950427905 /nfs/dbraw/zinc/42/79/05/950427905.db2.gz VRBHZHISISZXKV-KBPBESRZSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CC[C@H]1CCOC1 ZINC001574163539 950427918 /nfs/dbraw/zinc/42/79/18/950427918.db2.gz VRBHZHISISZXKV-KBPBESRZSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@@H](NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1ccccc1 ZINC001574163752 950432433 /nfs/dbraw/zinc/43/24/33/950432433.db2.gz XJFRRKPYVYQVRK-CQSZACIVSA-N -1 1 383.412 1.033 20 0 GDADMM C[C@H](CC(=O)N[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1)c1ccccc1F ZINC001574506429 950432696 /nfs/dbraw/zinc/43/26/96/950432696.db2.gz DFIUHQHOBUGWEO-NEPJUHHUSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H](CC(=O)N[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1)c1ccccc1F ZINC001574506429 950432709 /nfs/dbraw/zinc/43/27/09/950432709.db2.gz DFIUHQHOBUGWEO-NEPJUHHUSA-N -1 1 384.419 1.906 20 0 GDADMM CC(C)CC1(C(=O)N[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)CCC1 ZINC001574165865 950454556 /nfs/dbraw/zinc/45/45/56/950454556.db2.gz KWRMAFKPIXYHEY-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CC1(C(=O)N[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)CCC1 ZINC001574165865 950454566 /nfs/dbraw/zinc/45/45/66/950454566.db2.gz KWRMAFKPIXYHEY-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CC1(C(=O)NC2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)CCC1 ZINC001574166103 950460653 /nfs/dbraw/zinc/46/06/53/950460653.db2.gz MAYMKZRFBPZOEP-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CC1(C(=O)NC2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)CCC1 ZINC001574166103 950460661 /nfs/dbraw/zinc/46/06/61/950460661.db2.gz MAYMKZRFBPZOEP-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CC1(C(=O)NC[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CCC1 ZINC001574166778 950474866 /nfs/dbraw/zinc/47/48/66/950474866.db2.gz ZDZKAHIAHDPYQX-CQSZACIVSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)CC1(C(=O)NC[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CCC1 ZINC001574166778 950474876 /nfs/dbraw/zinc/47/48/76/950474876.db2.gz ZDZKAHIAHDPYQX-CQSZACIVSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[n-]n3)n2)CCCCC1 ZINC001575605798 950480850 /nfs/dbraw/zinc/48/08/50/950480850.db2.gz UTHJUTGULWLEAW-MCIONIFRSA-N -1 1 382.472 1.853 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001574508503 950482674 /nfs/dbraw/zinc/48/26/74/950482674.db2.gz PCAKWOAXRPTFSS-BBBLOLIVSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001574508503 950482686 /nfs/dbraw/zinc/48/26/86/950482686.db2.gz PCAKWOAXRPTFSS-BBBLOLIVSA-N -1 1 384.366 1.552 20 0 GDADMM CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nnn[n-]3)n2)CCCCC1 ZINC001575605857 950487672 /nfs/dbraw/zinc/48/76/72/950487672.db2.gz XLAPBHBOYLCKMG-NFAWXSAZSA-N -1 1 382.472 1.853 20 0 GDADMM CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nn[n-]n3)n2)CCCCC1 ZINC001575605857 950487689 /nfs/dbraw/zinc/48/76/89/950487689.db2.gz XLAPBHBOYLCKMG-NFAWXSAZSA-N -1 1 382.472 1.853 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc2c(s1)CCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574752617 950490734 /nfs/dbraw/zinc/49/07/34/950490734.db2.gz YMJMVEFNTXBZSI-JTQLQIEISA-N -1 1 384.469 1.780 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc2c(s1)CCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574752617 950490744 /nfs/dbraw/zinc/49/07/44/950490744.db2.gz YMJMVEFNTXBZSI-JTQLQIEISA-N -1 1 384.469 1.780 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc2n(c1)CCCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574752685 950495762 /nfs/dbraw/zinc/49/57/62/950495762.db2.gz ZFFYUEGZTPQWJQ-LBPRGKRZSA-N -1 1 381.444 1.367 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc2n(c1)CCCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574752685 950495775 /nfs/dbraw/zinc/49/57/75/950495775.db2.gz ZFFYUEGZTPQWJQ-LBPRGKRZSA-N -1 1 381.444 1.367 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574509231 950500410 /nfs/dbraw/zinc/50/04/10/950500410.db2.gz TZIINESESDMTHQ-RWMBFGLXSA-N -1 1 382.428 1.172 20 0 GDADMM CC(C)CC1(C(=O)N[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C)CCC1 ZINC001574168317 950514396 /nfs/dbraw/zinc/51/43/96/950514396.db2.gz SVBTZOOASNDCNT-UKRRQHHQSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)CC1(C(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C)CCC1 ZINC001574168317 950514417 /nfs/dbraw/zinc/51/44/17/950514417.db2.gz SVBTZOOASNDCNT-UKRRQHHQSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)CCC(=O)N1CC[C@@]2(C1)CCCN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001574169685 950528456 /nfs/dbraw/zinc/52/84/56/950528456.db2.gz CCIHLOZDKSLOTD-IBGZPJMESA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)CCC(=O)N1CC[C@@]2(C1)CCCN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001574169685 950528480 /nfs/dbraw/zinc/52/84/80/950528480.db2.gz CCIHLOZDKSLOTD-IBGZPJMESA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)(C)OCC(=O)N1CCC[C@@H]2[C@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001573867404 950533080 /nfs/dbraw/zinc/53/30/80/950533080.db2.gz YPGUDGIDTDRHCS-ZIAGYGMSSA-N -1 1 386.460 1.042 20 0 GDADMM CC(C)(C)OCC(=O)N1CCC[C@@H]2[C@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001573867404 950533096 /nfs/dbraw/zinc/53/30/96/950533096.db2.gz YPGUDGIDTDRHCS-ZIAGYGMSSA-N -1 1 386.460 1.042 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cc(C2CC2)on1 ZINC001575916573 950542827 /nfs/dbraw/zinc/54/28/27/950542827.db2.gz QODDOWRWCBAJEM-GXSJLCMTSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cc(C2CC2)on1 ZINC001575916573 950542840 /nfs/dbraw/zinc/54/28/40/950542840.db2.gz QODDOWRWCBAJEM-GXSJLCMTSA-N -1 1 381.400 1.237 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CCCC1 ZINC001573868918 950550442 /nfs/dbraw/zinc/55/04/42/950550442.db2.gz IHMUVNBAGNIKDG-ZDUSSCGKSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CCCC1 ZINC001573868918 950550456 /nfs/dbraw/zinc/55/04/56/950550456.db2.gz IHMUVNBAGNIKDG-ZDUSSCGKSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@]1(C(=O)N[C@@H]2[C@H]3CN(c4snc(Cl)c4-c4nnn[n-]4)C[C@H]32)C=CCC1 ZINC001575614786 950552045 /nfs/dbraw/zinc/55/20/45/950552045.db2.gz PRWHURXFQWHURH-KUGSPTLQSA-N -1 1 391.888 1.884 20 0 GDADMM C[C@]1(C(=O)N[C@@H]2[C@H]3CN(c4snc(Cl)c4-c4nn[n-]n4)C[C@H]32)C=CCC1 ZINC001575614786 950552059 /nfs/dbraw/zinc/55/20/59/950552059.db2.gz PRWHURXFQWHURH-KUGSPTLQSA-N -1 1 391.888 1.884 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc2c(c1)CCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574754137 950563179 /nfs/dbraw/zinc/56/31/79/950563179.db2.gz YEWJPPLRLSOMOV-LBPRGKRZSA-N -1 1 378.440 1.140 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc(C(F)F)o1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574754178 950565621 /nfs/dbraw/zinc/56/56/21/950565621.db2.gz ZGJFKYWQNXAQFP-MRVPVSSYSA-N -1 1 378.343 1.760 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc(C(F)F)o1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574754178 950565638 /nfs/dbraw/zinc/56/56/38/950565638.db2.gz ZGJFKYWQNXAQFP-MRVPVSSYSA-N -1 1 378.343 1.760 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C)C(F)(F)F ZINC001574511910 950577934 /nfs/dbraw/zinc/57/79/34/950577934.db2.gz WAVFEQDIXKJOSS-FXPVBKGRSA-N -1 1 384.366 1.186 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C)C(F)(F)F ZINC001574511910 950577965 /nfs/dbraw/zinc/57/79/65/950577965.db2.gz WAVFEQDIXKJOSS-FXPVBKGRSA-N -1 1 384.366 1.186 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001575616971 950594129 /nfs/dbraw/zinc/59/41/29/950594129.db2.gz WQZOWYXAQBQPEL-UHFFFAOYSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)CCC(=O)N1CCC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CC[C@@H]21 ZINC001574173666 950597755 /nfs/dbraw/zinc/59/77/55/950597755.db2.gz KURQMFYTAMXQMI-HOCLYGCPSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CCC(=O)N1CCC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CC[C@@H]21 ZINC001574173666 950597770 /nfs/dbraw/zinc/59/77/70/950597770.db2.gz KURQMFYTAMXQMI-HOCLYGCPSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccnc(C2CC2)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574758552 950612539 /nfs/dbraw/zinc/61/25/39/950612539.db2.gz CZTWHTSSPZZXBK-NSHDSACASA-N -1 1 379.428 1.502 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccnc(C2CC2)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574758552 950612556 /nfs/dbraw/zinc/61/25/56/950612556.db2.gz CZTWHTSSPZZXBK-NSHDSACASA-N -1 1 379.428 1.502 20 0 GDADMM CC1(C)C(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cnc(-c3nnn[n-]3)cn2)C1(C)C ZINC001575620345 950632213 /nfs/dbraw/zinc/63/22/13/950632213.db2.gz WWCNIWVZZJBFRL-TXEJJXNPSA-N -1 1 382.472 1.519 20 0 GDADMM CC1(C)C(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cnc(-c3nn[n-]n3)cn2)C1(C)C ZINC001575620345 950632225 /nfs/dbraw/zinc/63/22/25/950632225.db2.gz WWCNIWVZZJBFRL-TXEJJXNPSA-N -1 1 382.472 1.519 20 0 GDADMM CC(C)CCC(=O)N[C@@H]1CC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@H]2C1 ZINC001574174530 950635720 /nfs/dbraw/zinc/63/57/20/950635720.db2.gz JIABLNQPDWJACJ-QLFBSQMISA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)CCC(=O)N[C@@H]1CC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@H]2C1 ZINC001574174530 950635730 /nfs/dbraw/zinc/63/57/30/950635730.db2.gz JIABLNQPDWJACJ-QLFBSQMISA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)CCC(=O)N1CCC[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)CC[C@H]21 ZINC001574174626 950637763 /nfs/dbraw/zinc/63/77/63/950637763.db2.gz UKMMINMXBUHEPA-GDBMZVCRSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CCC(=O)N1CCC[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)CC[C@H]21 ZINC001574174626 950637780 /nfs/dbraw/zinc/63/77/80/950637780.db2.gz UKMMINMXBUHEPA-GDBMZVCRSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)ccc1F)Nc1nccnc1-c1nnn[n-]1 ZINC001575001664 950640847 /nfs/dbraw/zinc/64/08/47/950640847.db2.gz XOAGUIKSWAHWGK-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)ccc1F)Nc1nccnc1-c1nn[n-]n1 ZINC001575001664 950640860 /nfs/dbraw/zinc/64/08/60/950640860.db2.gz XOAGUIKSWAHWGK-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM CC(C)(C)O[C@@H]1C[C@H]1C(=O)N1CCN(c2ccsc2-c2nn[n-]n2)CC1 ZINC001573873323 950641784 /nfs/dbraw/zinc/64/17/84/950641784.db2.gz IUTWXPKHWTWTDG-DGCLKSJQSA-N -1 1 376.486 1.780 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)c(F)cc1F)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575001877 950645343 /nfs/dbraw/zinc/64/53/43/950645343.db2.gz NVLHUMDAUXQJTM-QMMMGPOBSA-N -1 1 392.345 1.329 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)c(F)cc1F)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575001877 950645368 /nfs/dbraw/zinc/64/53/68/950645368.db2.gz NVLHUMDAUXQJTM-QMMMGPOBSA-N -1 1 392.345 1.329 20 0 GDADMM C[C@H]1CCN(S(=O)(=O)c2c3ccccc3sc2-c2nn[n-]n2)C[C@H]1O ZINC001576213788 950646099 /nfs/dbraw/zinc/64/60/99/950646099.db2.gz IFFWDAXPUJXMFS-GXSJLCMTSA-N -1 1 379.467 1.473 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)ccc1Cl)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575001954 950649951 /nfs/dbraw/zinc/64/99/51/950649951.db2.gz QHIATQMVGDZMKY-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)ccc1Cl)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575001954 950649965 /nfs/dbraw/zinc/64/99/65/950649965.db2.gz QHIATQMVGDZMKY-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)no1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001575001957 950650421 /nfs/dbraw/zinc/65/04/21/950650421.db2.gz QJAOEWRYOGJXTA-SCSAIBSYSA-N -1 1 389.228 1.848 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)no1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575001957 950650429 /nfs/dbraw/zinc/65/04/29/950650429.db2.gz QJAOEWRYOGJXTA-SCSAIBSYSA-N -1 1 389.228 1.848 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1 ZINC001574518247 950651247 /nfs/dbraw/zinc/65/12/47/950651247.db2.gz MWFVKYOGANKNJY-AEGPPILISA-N -1 1 378.440 1.910 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1 ZINC001574518247 950651260 /nfs/dbraw/zinc/65/12/60/950651260.db2.gz MWFVKYOGANKNJY-AEGPPILISA-N -1 1 378.440 1.910 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)ccc1F)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575002135 950655348 /nfs/dbraw/zinc/65/53/48/950655348.db2.gz ZMORUZSVFDWZDL-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)ccc1F)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575002135 950655360 /nfs/dbraw/zinc/65/53/60/950655360.db2.gz ZMORUZSVFDWZDL-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CCC(CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573876999 950688687 /nfs/dbraw/zinc/68/86/87/950688687.db2.gz ZWWVFTJXYYAHRN-ZIAGYGMSSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CCC(CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573876999 950688699 /nfs/dbraw/zinc/68/86/99/950688699.db2.gz ZWWVFTJXYYAHRN-ZIAGYGMSSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccncn1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574761640 950700801 /nfs/dbraw/zinc/70/08/01/950700801.db2.gz UNGZHLAZGYSFDM-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CNC(=O)c1cc2c(s1)CCCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575005795 950703794 /nfs/dbraw/zinc/70/37/94/950703794.db2.gz NJOUXEHRVNKCJO-SNVBAGLBSA-N -1 1 384.469 1.827 20 0 GDADMM C[C@H](CNC(=O)c1cc2c(s1)CCCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575005795 950703809 /nfs/dbraw/zinc/70/38/09/950703809.db2.gz NJOUXEHRVNKCJO-SNVBAGLBSA-N -1 1 384.469 1.827 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccc2c(c1)COC2 ZINC001575926215 950704372 /nfs/dbraw/zinc/70/43/72/950704372.db2.gz WOHBZFSQFYGSMA-IAQYHMDHSA-N -1 1 392.423 1.402 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccc2c(c1)COC2 ZINC001575926215 950704390 /nfs/dbraw/zinc/70/43/90/950704390.db2.gz WOHBZFSQFYGSMA-IAQYHMDHSA-N -1 1 392.423 1.402 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ncoc1C1CC1 ZINC001575926248 950705879 /nfs/dbraw/zinc/70/58/79/950705879.db2.gz WYPFOSVACNQZGM-MWLCHTKSSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ncoc1C1CC1 ZINC001575926248 950705894 /nfs/dbraw/zinc/70/58/94/950705894.db2.gz WYPFOSVACNQZGM-MWLCHTKSSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CC(C1CC1)C1CC1 ZINC001575926535 950714333 /nfs/dbraw/zinc/71/43/33/950714333.db2.gz XNPJZVLXRNRURY-IAQYHMDHSA-N -1 1 382.472 1.306 20 0 GDADMM CC1(C)CC(C(=O)NC2CC3(C2)CC(Nc2nccnc2-c2nnn[n-]2)C3)C1 ZINC001575628266 950714887 /nfs/dbraw/zinc/71/48/87/950714887.db2.gz BFVOZNGMVHURKD-UHFFFAOYSA-N -1 1 382.472 1.932 20 0 GDADMM CC1(C)CC(C(=O)NC2CC3(C2)CC(Nc2nccnc2-c2nn[n-]n2)C3)C1 ZINC001575628266 950714911 /nfs/dbraw/zinc/71/49/11/950714911.db2.gz BFVOZNGMVHURKD-UHFFFAOYSA-N -1 1 382.472 1.932 20 0 GDADMM CC(C)c1ncncc1C(=O)N(C)C[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574763509 950719635 /nfs/dbraw/zinc/71/96/35/950719635.db2.gz CSSVBEHARIONFO-LLVKDONJSA-N -1 1 382.432 1.143 20 0 GDADMM CC(C)c1ncncc1C(=O)N(C)C[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574763509 950719654 /nfs/dbraw/zinc/71/96/54/950719654.db2.gz CSSVBEHARIONFO-LLVKDONJSA-N -1 1 382.432 1.143 20 0 GDADMM CC(C)(C)c1cc(C(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)[nH]n1 ZINC001573879694 950727150 /nfs/dbraw/zinc/72/71/50/950727150.db2.gz IUSCRVFBUOQMPS-JTQLQIEISA-N -1 1 382.432 1.004 20 0 GDADMM CC(C)(C)c1cc(C(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)[nH]n1 ZINC001573879694 950727163 /nfs/dbraw/zinc/72/71/63/950727163.db2.gz IUSCRVFBUOQMPS-JTQLQIEISA-N -1 1 382.432 1.004 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CC2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576216246 950729180 /nfs/dbraw/zinc/72/91/80/950729180.db2.gz DEFGALAKKHDVAK-ZJUUUORDSA-N -1 1 378.387 1.208 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CC2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576216246 950729195 /nfs/dbraw/zinc/72/91/95/950729195.db2.gz DEFGALAKKHDVAK-ZJUUUORDSA-N -1 1 378.387 1.208 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)CC(C)(C)C ZINC001574520411 950730431 /nfs/dbraw/zinc/73/04/31/950730431.db2.gz RGIGBNGQZVLSEG-RMRHIDDWSA-N -1 1 384.488 1.670 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)CC(C)(C)C ZINC001574520411 950730445 /nfs/dbraw/zinc/73/04/45/950730445.db2.gz RGIGBNGQZVLSEG-RMRHIDDWSA-N -1 1 384.488 1.670 20 0 GDADMM CC(C)(C)c1cc(C(=O)NCC=CCNc2cncc(-c3nnn[n-]3)n2)[nH]n1 ZINC001573879781 950730699 /nfs/dbraw/zinc/73/06/99/950730699.db2.gz MKEYXRDMIYZFEY-SNAWJCMRSA-N -1 1 382.432 1.075 20 0 GDADMM CC(C)(C)c1cc(C(=O)NCC=CCNc2cncc(-c3nn[n-]n3)n2)[nH]n1 ZINC001573879781 950730710 /nfs/dbraw/zinc/73/07/10/950730710.db2.gz MKEYXRDMIYZFEY-SNAWJCMRSA-N -1 1 382.432 1.075 20 0 GDADMM CC(C)(C)c1cc(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)no1 ZINC001573879889 950732600 /nfs/dbraw/zinc/73/26/00/950732600.db2.gz NNACZDDBUXUNIZ-MGCOHNPYSA-N -1 1 383.416 1.315 20 0 GDADMM CC(C)(C)c1cc(C(=O)N[C@H]2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)no1 ZINC001573879889 950732621 /nfs/dbraw/zinc/73/26/21/950732621.db2.gz NNACZDDBUXUNIZ-MGCOHNPYSA-N -1 1 383.416 1.315 20 0 GDADMM CC(C)(C)c1cc(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)[nH]n1 ZINC001573879732 950734158 /nfs/dbraw/zinc/73/41/58/950734158.db2.gz KAHXUADWRBDQLD-AOOOYVTPSA-N -1 1 382.432 1.050 20 0 GDADMM CC(C)(C)c1cc(C(=O)N[C@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)[nH]n1 ZINC001573879732 950734171 /nfs/dbraw/zinc/73/41/71/950734171.db2.gz KAHXUADWRBDQLD-AOOOYVTPSA-N -1 1 382.432 1.050 20 0 GDADMM CC1(C)CC(C(=O)N[C@@H]2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C23CCC3)C1 ZINC001575629365 950735172 /nfs/dbraw/zinc/73/51/72/950735172.db2.gz NDPHDVNATVOZAV-ZIAGYGMSSA-N -1 1 382.472 1.932 20 0 GDADMM CC1(C)CC(C(=O)N[C@@H]2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C23CCC3)C1 ZINC001575629365 950735187 /nfs/dbraw/zinc/73/51/87/950735187.db2.gz NDPHDVNATVOZAV-ZIAGYGMSSA-N -1 1 382.472 1.932 20 0 GDADMM CC(C)n1ccc(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@H]2C)n1 ZINC001575927210 950738533 /nfs/dbraw/zinc/73/85/33/950738533.db2.gz OFDCOJKCTULHJL-VXGBXAGGSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1ccc(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@H]2C)n1 ZINC001575927210 950738545 /nfs/dbraw/zinc/73/85/45/950738545.db2.gz OFDCOJKCTULHJL-VXGBXAGGSA-N -1 1 382.432 1.149 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1nccs1 ZINC001575927343 950742412 /nfs/dbraw/zinc/74/24/12/950742412.db2.gz PHBGWVKCTNTWJK-MNOVXSKESA-N -1 1 385.457 1.147 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1nccs1 ZINC001575927343 950742429 /nfs/dbraw/zinc/74/24/29/950742429.db2.gz PHBGWVKCTNTWJK-MNOVXSKESA-N -1 1 385.457 1.147 20 0 GDADMM CC(C)(C)c1cccc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001573881344 950748970 /nfs/dbraw/zinc/74/89/70/950748970.db2.gz DDJPYZORGPYIHS-HNNXBMFYSA-N -1 1 392.467 1.963 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576216995 950748882 /nfs/dbraw/zinc/74/88/82/950748882.db2.gz FTCYAXFOXWCVTP-GXSJLCMTSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576216995 950748899 /nfs/dbraw/zinc/74/88/99/950748899.db2.gz FTCYAXFOXWCVTP-GXSJLCMTSA-N -1 1 378.387 1.351 20 0 GDADMM CC(C)(C)c1cccc(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001573881316 950749914 /nfs/dbraw/zinc/74/99/14/950749914.db2.gz CXJRLHUGVSLLQN-HNNXBMFYSA-N -1 1 392.467 1.963 20 0 GDADMM CC(C)(C)c1cccc(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001573881316 950749922 /nfs/dbraw/zinc/74/99/22/950749922.db2.gz CXJRLHUGVSLLQN-HNNXBMFYSA-N -1 1 392.467 1.963 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)COc1ccsc1 ZINC001575927716 950753582 /nfs/dbraw/zinc/75/35/82/950753582.db2.gz SNRLLQKVGKDJFG-ZYHUDNBSSA-N -1 1 386.441 1.199 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)COc1ccsc1 ZINC001575927716 950753591 /nfs/dbraw/zinc/75/35/91/950753591.db2.gz SNRLLQKVGKDJFG-ZYHUDNBSSA-N -1 1 386.441 1.199 20 0 GDADMM CC(C)CCC(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574184478 950785056 /nfs/dbraw/zinc/78/50/56/950785056.db2.gz LMJHFLBXPMILIZ-CRAIPNDOSA-N -1 1 392.467 1.709 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccncc1Cl ZINC001575929975 950790911 /nfs/dbraw/zinc/79/09/11/950790911.db2.gz DCHYXSROBYJSIK-BXKDBHETSA-N -1 1 385.819 1.420 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccncc1Cl ZINC001575929975 950790919 /nfs/dbraw/zinc/79/09/19/950790919.db2.gz DCHYXSROBYJSIK-BXKDBHETSA-N -1 1 385.819 1.420 20 0 GDADMM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001574185284 950798504 /nfs/dbraw/zinc/79/85/04/950798504.db2.gz XGWYFFIYGASNCZ-JSGCOSHPSA-N -1 1 389.460 1.240 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccc2c(c1)COC2 ZINC001575931610 950811401 /nfs/dbraw/zinc/81/14/01/950811401.db2.gz JAEZUJPXWYQNHO-IAQYHMDHSA-N -1 1 392.423 1.402 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc2c(c1)COC2 ZINC001575931610 950811432 /nfs/dbraw/zinc/81/14/32/950811432.db2.gz JAEZUJPXWYQNHO-IAQYHMDHSA-N -1 1 392.423 1.402 20 0 GDADMM C[C@@H]1[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCN1C(=O)Cc1ccc[nH]1 ZINC001575931598 950814067 /nfs/dbraw/zinc/81/40/67/950814067.db2.gz IYWVPIIRNVOGLC-SCZZXKLOSA-N -1 1 392.876 1.949 20 0 GDADMM CC(C)c1scnc1C(=O)N(C)C[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574766278 950814463 /nfs/dbraw/zinc/81/44/63/950814463.db2.gz HSUCHJSUUHXSOV-JTQLQIEISA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)c1scnc1C(=O)N(C)C[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574766278 950814482 /nfs/dbraw/zinc/81/44/82/950814482.db2.gz HSUCHJSUUHXSOV-JTQLQIEISA-N -1 1 387.473 1.809 20 0 GDADMM CC1(C)CC(CC(=O)NC[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001575633764 950819724 /nfs/dbraw/zinc/81/97/24/950819724.db2.gz WTRQKUYSNXQXAF-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C)CC(CC(=O)NC[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001575633764 950819738 /nfs/dbraw/zinc/81/97/38/950819738.db2.gz WTRQKUYSNXQXAF-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)CCCC(=O)N1CC[C@H]2[C@H](CCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574186989 950823287 /nfs/dbraw/zinc/82/32/87/950823287.db2.gz LCRDRTJALJQELC-ZBFHGGJFSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CCCC(=O)N1CC[C@H]2[C@H](CCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574186989 950823308 /nfs/dbraw/zinc/82/33/08/950823308.db2.gz LCRDRTJALJQELC-ZBFHGGJFSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCN1C(=O)CC(C)(C)O ZINC001575932693 950828535 /nfs/dbraw/zinc/82/85/35/950828535.db2.gz LSEFWQXAUFCTEC-YUMQZZPRSA-N -1 1 385.881 1.539 20 0 GDADMM CC1(C)C[C@H](NC(=O)[C@@H]2CC23CC3)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575638681 950842807 /nfs/dbraw/zinc/84/28/07/950842807.db2.gz IITKGFCCGWMZLD-OLZOCXBDSA-N -1 1 382.472 1.568 20 0 GDADMM CC1(C)C[C@H](NC(=O)[C@@H]2CC23CC3)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575638681 950842831 /nfs/dbraw/zinc/84/28/31/950842831.db2.gz IITKGFCCGWMZLD-OLZOCXBDSA-N -1 1 382.472 1.568 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(S(C)(=O)=O)cc2)n1 ZINC001573887480 950846469 /nfs/dbraw/zinc/84/64/69/950846469.db2.gz DBYCTSCKCIZPQV-UHFFFAOYSA-N -1 1 389.441 1.474 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(S(C)(=O)=O)cc2)n1 ZINC001573887480 950846488 /nfs/dbraw/zinc/84/64/88/950846488.db2.gz DBYCTSCKCIZPQV-UHFFFAOYSA-N -1 1 389.441 1.474 20 0 GDADMM CC(C)(C)c1ocnc1C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573887884 950855384 /nfs/dbraw/zinc/85/53/84/950855384.db2.gz LMLWGKDECWZOSY-SNVBAGLBSA-N -1 1 383.416 1.269 20 0 GDADMM CC(C)(C)c1ocnc1C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573887884 950855403 /nfs/dbraw/zinc/85/54/03/950855403.db2.gz LMLWGKDECWZOSY-SNVBAGLBSA-N -1 1 383.416 1.269 20 0 GDADMM CC1(C)C[C@H](NC(=O)[C@@H]2CC2(F)F)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575639063 950857281 /nfs/dbraw/zinc/85/72/81/950857281.db2.gz OIXRNEZVJCMAKJ-MNOVXSKESA-N -1 1 392.414 1.423 20 0 GDADMM CC1(C)C[C@H](NC(=O)[C@@H]2CC2(F)F)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575639063 950857299 /nfs/dbraw/zinc/85/72/99/950857299.db2.gz OIXRNEZVJCMAKJ-MNOVXSKESA-N -1 1 392.414 1.423 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C2CCC2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576222173 950863961 /nfs/dbraw/zinc/86/39/61/950863961.db2.gz XNCOIVGENADHDO-STQMWFEESA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C2CCC2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576222173 950863971 /nfs/dbraw/zinc/86/39/71/950863971.db2.gz XNCOIVGENADHDO-STQMWFEESA-N -1 1 384.488 1.989 20 0 GDADMM CC1(C)C[C@H](NC(=O)[C@H]2CC23CC3)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575639660 950878259 /nfs/dbraw/zinc/87/82/59/950878259.db2.gz VQNCERFLWJQIMI-CHWSQXEVSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)CCCCC2)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576226755 950886844 /nfs/dbraw/zinc/88/68/44/950886844.db2.gz ALKFWXIWOIKIEY-UONOGXRCSA-N -1 1 384.488 1.698 20 0 GDADMM CC1(C)C[C@H](NC(=O)c2ccco2)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575640680 950901251 /nfs/dbraw/zinc/90/12/51/950901251.db2.gz JQBJJBPRJHAMCD-GFCCVEGCSA-N -1 1 382.428 1.675 20 0 GDADMM CC1(C)C[C@@H](NC(=O)c2ccco2)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575640824 950906646 /nfs/dbraw/zinc/90/66/46/950906646.db2.gz KWWWCSJZCLNTCB-LBPRGKRZSA-N -1 1 382.428 1.675 20 0 GDADMM CC1(C)C[C@@H](NC(=O)c2ccco2)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575640824 950906659 /nfs/dbraw/zinc/90/66/59/950906659.db2.gz KWWWCSJZCLNTCB-LBPRGKRZSA-N -1 1 382.428 1.675 20 0 GDADMM C[C@@H](CN(C)C(=O)c1sccc1Cl)Nc1nccnc1-c1nnn[n-]1 ZINC001574769138 950912212 /nfs/dbraw/zinc/91/22/12/950912212.db2.gz ZXRRCLFMNAAGCD-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CN(C)C(=O)c1sccc1Cl)Nc1nccnc1-c1nn[n-]n1 ZINC001574769138 950912221 /nfs/dbraw/zinc/91/22/21/950912221.db2.gz ZXRRCLFMNAAGCD-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM CC1(C)C[C@@]1(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC001575641394 950917713 /nfs/dbraw/zinc/91/77/13/950917713.db2.gz PESDWGSCVZGNTO-GOSISDBHSA-N -1 1 384.465 1.908 20 0 GDADMM CC1(C)C[C@@]1(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC001575641394 950917732 /nfs/dbraw/zinc/91/77/32/950917732.db2.gz PESDWGSCVZGNTO-GOSISDBHSA-N -1 1 384.465 1.908 20 0 GDADMM C[C@@H]1CN(C(=O)C2(F)CCCC2)CC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576228277 950932702 /nfs/dbraw/zinc/93/27/02/950932702.db2.gz GIWDCJVAMHYYIB-OLZOCXBDSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@@H]1CN(C(=O)C2(F)CCCC2)CC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576228277 950932716 /nfs/dbraw/zinc/93/27/16/950932716.db2.gz GIWDCJVAMHYYIB-OLZOCXBDSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@H]1CN(C(=O)C2CC3(CC3)C2)CC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576228431 950943151 /nfs/dbraw/zinc/94/31/51/950943151.db2.gz JZMQPOSNKPQXHQ-QWHCGFSZSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@H]1CN(C(=O)C2CC3(CC3)C2)CC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576228431 950943169 /nfs/dbraw/zinc/94/31/69/950943169.db2.gz JZMQPOSNKPQXHQ-QWHCGFSZSA-N -1 1 382.472 1.743 20 0 GDADMM CC1(C)C[C@H]1C(=O)N1CCC[C@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001575642535 950947495 /nfs/dbraw/zinc/94/74/95/950947495.db2.gz IDDASPGCUHHVLP-ORAYPTAESA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)C[C@H]1C(=O)N1CCC[C@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001575642535 950947510 /nfs/dbraw/zinc/94/75/10/950947510.db2.gz IDDASPGCUHHVLP-ORAYPTAESA-N -1 1 382.472 1.522 20 0 GDADMM CC(C)(CC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C1CC1 ZINC001573896647 950950486 /nfs/dbraw/zinc/95/04/86/950950486.db2.gz JHYCICJVVHVZBN-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(CC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C1CC1 ZINC001573896647 950950509 /nfs/dbraw/zinc/95/05/09/950950509.db2.gz JHYCICJVVHVZBN-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCN1C(=O)c1cnon1 ZINC001575938322 950975869 /nfs/dbraw/zinc/97/58/69/950975869.db2.gz KGMCEZAEEKYLFU-RITPCOANSA-N -1 1 381.809 1.075 20 0 GDADMM C[C@@H]1[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCN1C(=O)c1cnon1 ZINC001575938322 950975885 /nfs/dbraw/zinc/97/58/85/950975885.db2.gz KGMCEZAEEKYLFU-RITPCOANSA-N -1 1 381.809 1.075 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573899481 950981160 /nfs/dbraw/zinc/98/11/60/950981160.db2.gz AFJXMVONXVZJCW-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573899481 950981178 /nfs/dbraw/zinc/98/11/78/950981178.db2.gz AFJXMVONXVZJCW-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc(C2CC2)no1 ZINC001575938467 950982376 /nfs/dbraw/zinc/98/23/76/950982376.db2.gz NVSSNVMAGYEDMZ-MWLCHTKSSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc(C2CC2)no1 ZINC001575938467 950982395 /nfs/dbraw/zinc/98/23/95/950982395.db2.gz NVSSNVMAGYEDMZ-MWLCHTKSSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc(C2CC2)no1 ZINC001575938468 950983894 /nfs/dbraw/zinc/98/38/94/950983894.db2.gz NVSSNVMAGYEDMZ-ONGXEEELSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc(C2CC2)no1 ZINC001575938468 950983911 /nfs/dbraw/zinc/98/39/11/950983911.db2.gz NVSSNVMAGYEDMZ-ONGXEEELSA-N -1 1 381.400 1.237 20 0 GDADMM CC1(C)C[C@H]1C(=O)N1CCC2(C1)CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001575644511 950990008 /nfs/dbraw/zinc/99/00/08/950990008.db2.gz UXJBQWZVNOCZPD-ZDUSSCGKSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)C[C@H]1C(=O)N1CCC2(C1)CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001575644511 950990028 /nfs/dbraw/zinc/99/00/28/950990028.db2.gz UXJBQWZVNOCZPD-ZDUSSCGKSA-N -1 1 382.472 1.522 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573900015 950992423 /nfs/dbraw/zinc/99/24/23/950992423.db2.gz PKQMPGLXTCRGAB-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573900015 950992442 /nfs/dbraw/zinc/99/24/42/950992442.db2.gz PKQMPGLXTCRGAB-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H]1CC(=O)Nc2ccc(C(=O)NCc3nc(-c4nnn[n-]4)cs3)cc2N1 ZINC001575938976 950997385 /nfs/dbraw/zinc/99/73/85/950997385.db2.gz NWNIJYKJCZKCKG-QMMMGPOBSA-N -1 1 384.425 1.396 20 0 GDADMM C[C@H]1CC(=O)Nc2ccc(C(=O)NCc3nc(-c4nn[n-]n4)cs3)cc2N1 ZINC001575938976 950997398 /nfs/dbraw/zinc/99/73/98/950997398.db2.gz NWNIJYKJCZKCKG-QMMMGPOBSA-N -1 1 384.425 1.396 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(C)(C)C)cn1)Nc1nccnc1-c1nnn[n-]1 ZINC001575017642 951003861 /nfs/dbraw/zinc/00/38/61/951003861.db2.gz IIDSKEQRCRXGAY-NSHDSACASA-N -1 1 381.444 1.580 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(C)(C)C)cn1)Nc1nccnc1-c1nn[n-]n1 ZINC001575017642 951003885 /nfs/dbraw/zinc/00/38/85/951003885.db2.gz IIDSKEQRCRXGAY-NSHDSACASA-N -1 1 381.444 1.580 20 0 GDADMM CC(C)c1ccc(C(=O)NC[C@H](C)CNc2nccnc2-c2nnn[n-]2)cn1 ZINC001575018105 951016045 /nfs/dbraw/zinc/01/60/45/951016045.db2.gz KRLCCLWKZYJOPH-GFCCVEGCSA-N -1 1 381.444 1.653 20 0 GDADMM CC(C)c1ccc(C(=O)NC[C@H](C)CNc2nccnc2-c2nn[n-]n2)cn1 ZINC001575018105 951016057 /nfs/dbraw/zinc/01/60/57/951016057.db2.gz KRLCCLWKZYJOPH-GFCCVEGCSA-N -1 1 381.444 1.653 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)F)cc1F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575018635 951022772 /nfs/dbraw/zinc/02/27/72/951022772.db2.gz NMPYZNUCYLKYJM-MRVPVSSYSA-N -1 1 392.345 1.964 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)F)cc1F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575018635 951022786 /nfs/dbraw/zinc/02/27/86/951022786.db2.gz NMPYZNUCYLKYJM-MRVPVSSYSA-N -1 1 392.345 1.964 20 0 GDADMM CC(C)c1ccc(C(=O)NC[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)c(=O)[nH]1 ZINC001575018668 951023422 /nfs/dbraw/zinc/02/34/22/951023422.db2.gz OGMSJYCHPFWWRO-SNVBAGLBSA-N -1 1 383.416 1.111 20 0 GDADMM CC(C)c1ccc(C(=O)NC[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)c(=O)[nH]1 ZINC001575018668 951023440 /nfs/dbraw/zinc/02/34/40/951023440.db2.gz OGMSJYCHPFWWRO-SNVBAGLBSA-N -1 1 383.416 1.111 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)c(Cl)c1)CNc1nccnc1-c1nnn[n-]1 ZINC001575023566 951079473 /nfs/dbraw/zinc/07/94/73/951079473.db2.gz NYEOTLWQNCZNAC-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)c(Cl)c1)CNc1nccnc1-c1nn[n-]n1 ZINC001575023566 951079489 /nfs/dbraw/zinc/07/94/89/951079489.db2.gz NYEOTLWQNCZNAC-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)c(F)c1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575024179 951092192 /nfs/dbraw/zinc/09/21/92/951092192.db2.gz XKBJIYJVLFDQSC-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)c(F)c1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575024179 951092209 /nfs/dbraw/zinc/09/22/09/951092209.db2.gz XKBJIYJVLFDQSC-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCC2)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575025164 951127859 /nfs/dbraw/zinc/12/78/59/951127859.db2.gz WJPODCLIOBMUNZ-LBPRGKRZSA-N -1 1 378.440 1.623 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCC2)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575025164 951127869 /nfs/dbraw/zinc/12/78/69/951127869.db2.gz WJPODCLIOBMUNZ-LBPRGKRZSA-N -1 1 378.440 1.623 20 0 GDADMM CC(C)c1cccc(C(=O)NC[C@H](C)CNc2nccnc2-c2nnn[n-]2)n1 ZINC001575028100 951167456 /nfs/dbraw/zinc/16/74/56/951167456.db2.gz VBKFWWUPAJPTFI-GFCCVEGCSA-N -1 1 381.444 1.653 20 0 GDADMM CC(C)c1cccc(C(=O)NC[C@H](C)CNc2nccnc2-c2nn[n-]n2)n1 ZINC001575028100 951167465 /nfs/dbraw/zinc/16/74/65/951167465.db2.gz VBKFWWUPAJPTFI-GFCCVEGCSA-N -1 1 381.444 1.653 20 0 GDADMM C[C@H](CNC(=O)c1cccc(F)c1Cl)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575028236 951172472 /nfs/dbraw/zinc/17/24/72/951172472.db2.gz MSKPFFDSURKAOU-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CNC(=O)c1cccc(F)c1Cl)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575028236 951172477 /nfs/dbraw/zinc/17/24/77/951172477.db2.gz MSKPFFDSURKAOU-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CNC(=O)c1ccccc1O)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001575029324 951185202 /nfs/dbraw/zinc/18/52/02/951185202.db2.gz SQZXCQSKJFXKEN-SSDOTTSWSA-N -1 1 379.833 1.913 20 0 GDADMM C[C@H](CNC(=O)c1ccccc1O)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575029324 951185216 /nfs/dbraw/zinc/18/52/16/951185216.db2.gz SQZXCQSKJFXKEN-SSDOTTSWSA-N -1 1 379.833 1.913 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2c1O[C@@H](C)C2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575030162 951194442 /nfs/dbraw/zinc/19/44/42/951194442.db2.gz ZXWDEFSYMLLEGL-QWRGUYRKSA-N -1 1 380.412 1.211 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2c1O[C@@H](C)C2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575030162 951194449 /nfs/dbraw/zinc/19/44/49/951194449.db2.gz ZXWDEFSYMLLEGL-QWRGUYRKSA-N -1 1 380.412 1.211 20 0 GDADMM C[C@H](CNC(=O)c1cccnc1C(F)F)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575031786 951204189 /nfs/dbraw/zinc/20/41/89/951204189.db2.gz IUMWUAGBLJZEFL-SECBINFHSA-N -1 1 389.370 1.244 20 0 GDADMM C[C@@H](CNC(=O)c1cccnn1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575031852 951207003 /nfs/dbraw/zinc/20/70/03/951207003.db2.gz KLFWECMTJPJLPR-ZETCQYMHSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1cccnn1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575031852 951207014 /nfs/dbraw/zinc/20/70/14/951207014.db2.gz KLFWECMTJPJLPR-ZETCQYMHSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@H](CNC(=O)c1cccnc1C1CC1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575032009 951211817 /nfs/dbraw/zinc/21/18/17/951211817.db2.gz OBURJKTZQAGBLE-LLVKDONJSA-N -1 1 379.428 1.184 20 0 GDADMM C[C@@H](CNC(=O)c1ccnn1C)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575034958 951261126 /nfs/dbraw/zinc/26/11/26/951261126.db2.gz RGADGIOKDAGORK-ZETCQYMHSA-N -1 1 381.853 1.188 20 0 GDADMM C[C@@H](CNC(=O)c1ccnn1C)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575034958 951261138 /nfs/dbraw/zinc/26/11/38/951261138.db2.gz RGADGIOKDAGORK-ZETCQYMHSA-N -1 1 381.853 1.188 20 0 GDADMM C[C@@H](CNC(=O)c1ccsn1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001575037866 951312943 /nfs/dbraw/zinc/31/29/43/951312943.db2.gz DGKKEZVBCUWFQE-LURJTMIESA-N -1 1 384.878 1.688 20 0 GDADMM C[C@@H](CNC(=O)c1ccsn1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001575037866 951312954 /nfs/dbraw/zinc/31/29/54/951312954.db2.gz DGKKEZVBCUWFQE-LURJTMIESA-N -1 1 384.878 1.688 20 0 GDADMM O=C([O-])CCCCC(=O)Nc1cccc(S(=O)(=O)Nc2ncccn2)c1 ZINC001595035057 951397803 /nfs/dbraw/zinc/39/78/03/951397803.db2.gz UACCFUJLNLHXEZ-UHFFFAOYSA-N -1 1 378.410 1.861 20 0 GDADMM C[C@@H](CNC(=O)c1cnns1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575054687 951496437 /nfs/dbraw/zinc/49/64/37/951496437.db2.gz JXPIGFSCQGJOGR-YFKPBYRVSA-N -1 1 385.866 1.083 20 0 GDADMM C[C@@H](CNC(=O)c1cnns1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575054687 951496441 /nfs/dbraw/zinc/49/64/41/951496441.db2.gz JXPIGFSCQGJOGR-YFKPBYRVSA-N -1 1 385.866 1.083 20 0 GDADMM C[C@@H](CNC(=O)c1csc(C2CC2)n1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575056616 951520774 /nfs/dbraw/zinc/52/07/74/951520774.db2.gz JSARBEJMZKSONE-SECBINFHSA-N -1 1 385.457 1.469 20 0 GDADMM C[C@@H](CNC(=O)c1csc(C2CC2)n1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575056616 951520776 /nfs/dbraw/zinc/52/07/76/951520776.db2.gz JSARBEJMZKSONE-SECBINFHSA-N -1 1 385.457 1.469 20 0 GDADMM C[C@@H](CNC(=O)c1coc(C(C)(C)C)n1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575056941 951525232 /nfs/dbraw/zinc/52/52/32/951525232.db2.gz NAIQWXDPYHIQNU-JTQLQIEISA-N -1 1 385.432 1.197 20 0 GDADMM C[C@@H](CNC(=O)c1coc(C(C)(C)C)n1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575056941 951525244 /nfs/dbraw/zinc/52/52/44/951525244.db2.gz NAIQWXDPYHIQNU-JTQLQIEISA-N -1 1 385.432 1.197 20 0 GDADMM C[C@H](CNC(=O)c1[nH]nc2ccccc21)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575060728 951546859 /nfs/dbraw/zinc/54/68/59/951546859.db2.gz FATOCEYJZUDVJR-JTQLQIEISA-N -1 1 378.400 1.011 20 0 GDADMM C[C@@H](CNC(=O)c1ncc(Cl)s1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575060908 951552653 /nfs/dbraw/zinc/55/26/53/951552653.db2.gz JMJZWGRRTCTAHJ-SSDOTTSWSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1ncc(Cl)s1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575060908 951552663 /nfs/dbraw/zinc/55/26/63/951552663.db2.gz JMJZWGRRTCTAHJ-SSDOTTSWSA-N -1 1 379.837 1.245 20 0 GDADMM CC(C)c1ncsc1C(=O)NC[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575068802 951638656 /nfs/dbraw/zinc/63/86/56/951638656.db2.gz CNLWCWDSDILEHT-SNVBAGLBSA-N -1 1 387.473 1.715 20 0 GDADMM CC(C)c1ncsc1C(=O)NC[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575068802 951638659 /nfs/dbraw/zinc/63/86/59/951638659.db2.gz CNLWCWDSDILEHT-SNVBAGLBSA-N -1 1 387.473 1.715 20 0 GDADMM O=C([O-])CN1CC[C@H](N[C@H](CCO)c2cccc(OC(F)(F)F)c2)C1=O ZINC001595079763 951669522 /nfs/dbraw/zinc/66/95/22/951669522.db2.gz RNVXYUYLQSIIRX-OLZOCXBDSA-N -1 1 376.331 1.284 20 0 GDADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)c1ccccc1O)C1CC1 ZINC001575127847 952062201 /nfs/dbraw/zinc/06/22/01/952062201.db2.gz CZFBVHRWYJHPHN-GOSISDBHSA-N -1 1 380.412 1.373 20 0 GDADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)Cc1cscn1)C1CC1 ZINC001575129053 952075626 /nfs/dbraw/zinc/07/56/26/952075626.db2.gz PTMSBIOOWGVMNU-MRXNPFEDSA-N -1 1 385.457 1.053 20 0 GDADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)Cc1cscn1)C1CC1 ZINC001575129053 952075634 /nfs/dbraw/zinc/07/56/34/952075634.db2.gz PTMSBIOOWGVMNU-MRXNPFEDSA-N -1 1 385.457 1.053 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1scnc1Cl ZINC001575134368 952110863 /nfs/dbraw/zinc/11/08/63/952110863.db2.gz HGDGAEHSDQLNRQ-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1scnc1Cl ZINC001575134368 952110866 /nfs/dbraw/zinc/11/08/66/952110866.db2.gz HGDGAEHSDQLNRQ-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)CC[C@H]1CC(C)(C)CO1 ZINC001575134777 952113564 /nfs/dbraw/zinc/11/35/64/952113564.db2.gz PCLNOBLXAKKIJK-OLZOCXBDSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)CC[C@H]1CC(C)(C)CO1 ZINC001575134777 952113571 /nfs/dbraw/zinc/11/35/71/952113571.db2.gz PCLNOBLXAKKIJK-OLZOCXBDSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)C1CCC(F)(F)CC1 ZINC001575136943 952130991 /nfs/dbraw/zinc/13/09/91/952130991.db2.gz YDAOBQOMBIEVTA-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)C1CCC(F)(F)CC1 ZINC001575136943 952130997 /nfs/dbraw/zinc/13/09/97/952130997.db2.gz YDAOBQOMBIEVTA-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cc(C(C)(C)C)on1 ZINC001575137024 952132702 /nfs/dbraw/zinc/13/27/02/952132702.db2.gz ZYXXMIRLRWAGJP-SNVBAGLBSA-N -1 1 385.432 1.515 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cc(C(C)(C)C)on1 ZINC001575137024 952132705 /nfs/dbraw/zinc/13/27/05/952132705.db2.gz ZYXXMIRLRWAGJP-SNVBAGLBSA-N -1 1 385.432 1.515 20 0 GDADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)[C@@H]1CCC(F)(F)C1)C1CC1 ZINC001575146219 952193248 /nfs/dbraw/zinc/19/32/48/952193248.db2.gz IENJWZMRSJLFES-QLJPJBMISA-N -1 1 392.414 1.789 20 0 GDADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)[C@@H]1CCC(F)(F)C1)C1CC1 ZINC001575146219 952193256 /nfs/dbraw/zinc/19/32/56/952193256.db2.gz IENJWZMRSJLFES-QLJPJBMISA-N -1 1 392.414 1.789 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cc2n(c1)CCCC2 ZINC001575155294 952236033 /nfs/dbraw/zinc/23/60/33/952236033.db2.gz KSMQCUYITOFDMP-LBPRGKRZSA-N -1 1 381.444 1.367 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cc2n(c1)CCCC2 ZINC001575155294 952236037 /nfs/dbraw/zinc/23/60/37/952236037.db2.gz KSMQCUYITOFDMP-LBPRGKRZSA-N -1 1 381.444 1.367 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)C1(C(F)F)CCCC1 ZINC001575156235 952250742 /nfs/dbraw/zinc/25/07/42/952250742.db2.gz REJDFKOSVDNJPN-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)C1(C(F)F)CCCC1 ZINC001575156235 952250746 /nfs/dbraw/zinc/25/07/46/952250746.db2.gz REJDFKOSVDNJPN-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1ccc(Cl)s1 ZINC001575157637 952266483 /nfs/dbraw/zinc/26/64/83/952266483.db2.gz NYDWBBYIUYGDJJ-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc(Cl)s1 ZINC001575157637 952266491 /nfs/dbraw/zinc/26/64/91/952266491.db2.gz NYDWBBYIUYGDJJ-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cccc2c1OCC2 ZINC001575158884 952274422 /nfs/dbraw/zinc/27/44/22/952274422.db2.gz XEKBMPQBXYHGCO-NSHDSACASA-N -1 1 380.412 1.164 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cccc2c1OCC2 ZINC001575158884 952274430 /nfs/dbraw/zinc/27/44/30/952274430.db2.gz XEKBMPQBXYHGCO-NSHDSACASA-N -1 1 380.412 1.164 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)c1cn(C)cn1 ZINC001575164845 952300343 /nfs/dbraw/zinc/30/03/43/952300343.db2.gz IFLURXBDEOLXOU-SSDOTTSWSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)c1cn(C)cn1 ZINC001575164845 952300354 /nfs/dbraw/zinc/30/03/54/952300354.db2.gz IFLURXBDEOLXOU-SSDOTTSWSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)Cc1cnoc1 ZINC001575164997 952302016 /nfs/dbraw/zinc/30/20/16/952302016.db2.gz JDNSULOOWGKZHT-SSDOTTSWSA-N -1 1 382.837 1.466 20 0 GDADMM C[C@@](CNc1ncccc1-c1nn[nH]n1)(NC(=O)c1ncccc1[O-])C1CC1 ZINC001575167467 952336414 /nfs/dbraw/zinc/33/64/14/952336414.db2.gz GPRDFOCBNXQCRB-SFHVURJKSA-N -1 1 380.412 1.373 20 0 GDADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)CC[C@@H]1CCCO1)C1CC1 ZINC001575173879 952360081 /nfs/dbraw/zinc/36/00/81/952360081.db2.gz BYYTVFZEJFVESM-UGSOOPFHSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)CC[C@@H]1CCCO1)C1CC1 ZINC001575173879 952360090 /nfs/dbraw/zinc/36/00/90/952360090.db2.gz BYYTVFZEJFVESM-UGSOOPFHSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)[C@H]1C[C@@H]1C(F)F)C1CC1 ZINC001575174213 952367108 /nfs/dbraw/zinc/36/71/08/952367108.db2.gz JQGJCNMTEDRDLP-XQJJYNOISA-N -1 1 378.387 1.255 20 0 GDADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)[C@H]1C[C@@H]1C(F)F)C1CC1 ZINC001575174213 952367116 /nfs/dbraw/zinc/36/71/16/952367116.db2.gz JQGJCNMTEDRDLP-XQJJYNOISA-N -1 1 378.387 1.255 20 0 GDADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)C[C@@H]1CCCCO1)C1CC1 ZINC001575174508 952373863 /nfs/dbraw/zinc/37/38/63/952373863.db2.gz PUFIUTSLUNKPBG-SCLBCKFNSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)C[C@@H]1CCCCO1)C1CC1 ZINC001575174508 952373866 /nfs/dbraw/zinc/37/38/66/952373866.db2.gz PUFIUTSLUNKPBG-SCLBCKFNSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)c1sccc1F)C1CC1 ZINC001575174721 952377814 /nfs/dbraw/zinc/37/78/14/952377814.db2.gz RJNSGPUNXPJDBJ-MRXNPFEDSA-N -1 1 388.432 1.868 20 0 GDADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)c1sccc1F)C1CC1 ZINC001575174721 952377819 /nfs/dbraw/zinc/37/78/19/952377819.db2.gz RJNSGPUNXPJDBJ-MRXNPFEDSA-N -1 1 388.432 1.868 20 0 GDADMM C[C@@](CO)(NC(=O)c1cnc(C(F)(F)F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC001575179088 952410414 /nfs/dbraw/zinc/41/04/14/952410414.db2.gz SQJBGNYNQPHWRE-INIZCTEOSA-N -1 1 392.341 1.918 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ccc(N(C)C)cc1 ZINC001575180190 952415788 /nfs/dbraw/zinc/41/57/88/952415788.db2.gz STLUXAVUGCDXAE-LBPRGKRZSA-N -1 1 381.444 1.295 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ccc(N(C)C)cc1 ZINC001575180190 952415794 /nfs/dbraw/zinc/41/57/94/952415794.db2.gz STLUXAVUGCDXAE-LBPRGKRZSA-N -1 1 381.444 1.295 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1nc(Cl)cs1 ZINC001575181141 952422024 /nfs/dbraw/zinc/42/20/24/952422024.db2.gz ZJHJTTSHTYSSGK-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1nc(Cl)cs1 ZINC001575181141 952422026 /nfs/dbraw/zinc/42/20/26/952422026.db2.gz ZJHJTTSHTYSSGK-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC001575188453 952447293 /nfs/dbraw/zinc/44/72/93/952447293.db2.gz IJPHOZXFGXTBLD-RYUDHWBXSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC001575188453 952447295 /nfs/dbraw/zinc/44/72/95/952447295.db2.gz IJPHOZXFGXTBLD-RYUDHWBXSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@H](Cc1ccccc1F)C(=O)NCCN(C)c1nccnc1-c1nnn[n-]1 ZINC001575189438 952457035 /nfs/dbraw/zinc/45/70/35/952457035.db2.gz OUYBZMKCRPCHEI-GFCCVEGCSA-N -1 1 384.419 1.227 20 0 GDADMM C[C@H](Cc1ccccc1F)C(=O)NCCN(C)c1nccnc1-c1nn[n-]n1 ZINC001575189438 952457039 /nfs/dbraw/zinc/45/70/39/952457039.db2.gz OUYBZMKCRPCHEI-GFCCVEGCSA-N -1 1 384.419 1.227 20 0 GDADMM COc1ncc(NC(=O)N[C@H]2CCCCC23OCCO3)cc1-c1nn[n-]n1 ZINC001571115480 952466540 /nfs/dbraw/zinc/46/65/40/952466540.db2.gz WMGUDGCRLCVDDF-LBPRGKRZSA-N -1 1 375.389 1.078 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575197790 952486945 /nfs/dbraw/zinc/48/69/45/952486945.db2.gz ZSZICRCIXUSFAR-QWHCGFSZSA-N -1 1 382.428 1.214 20 0 GDADMM O=C([C@H]1Cc2ccccc21)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571120749 952508882 /nfs/dbraw/zinc/50/88/82/952508882.db2.gz QOZUJJOIYIWTBT-ZFWWWQNUSA-N -1 1 376.424 1.400 20 0 GDADMM O=C([C@H]1Cc2ccccc21)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571120749 952508886 /nfs/dbraw/zinc/50/88/86/952508886.db2.gz QOZUJJOIYIWTBT-ZFWWWQNUSA-N -1 1 376.424 1.400 20 0 GDADMM Cc1nsc(N2C[C@@H](CNC(=O)[C@@H]3CC3(C)C)[C@H](C)C2)c1-c1nn[n-]n1 ZINC001571121117 952515255 /nfs/dbraw/zinc/51/52/55/952515255.db2.gz WHFAQJOORDQRCA-JLLWLGSASA-N -1 1 375.502 1.866 20 0 GDADMM O=C(N[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2)c1ccccc1 ZINC001571121346 952518918 /nfs/dbraw/zinc/51/89/18/952518918.db2.gz YZFONWDOXIGXFA-HUUCEWRRSA-N -1 1 376.424 1.810 20 0 GDADMM O=C(N[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2)c1ccccc1 ZINC001571121346 952518925 /nfs/dbraw/zinc/51/89/25/952518925.db2.gz YZFONWDOXIGXFA-HUUCEWRRSA-N -1 1 376.424 1.810 20 0 GDADMM CC[C@@H](SC)C(=O)N1CCC(C)(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571122258 952523352 /nfs/dbraw/zinc/52/33/52/952523352.db2.gz HXPFGJNJSSRDER-GFCCVEGCSA-N -1 1 376.490 1.591 20 0 GDADMM CC[C@@H](SC)C(=O)N1CCC(C)(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571122258 952523355 /nfs/dbraw/zinc/52/33/55/952523355.db2.gz HXPFGJNJSSRDER-GFCCVEGCSA-N -1 1 376.490 1.591 20 0 GDADMM O=C(CC[C@H]1CCOC1)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001571121976 952523410 /nfs/dbraw/zinc/52/34/10/952523410.db2.gz GTBGZUQOWDQCJZ-ZDUSSCGKSA-N -1 1 376.486 1.389 20 0 GDADMM CC[C@H]1C[C@@H](C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)CCO1 ZINC001571122272 952525359 /nfs/dbraw/zinc/52/53/59/952525359.db2.gz IDXWSFUMHDFOKR-AAEUAGOBSA-N -1 1 376.486 1.434 20 0 GDADMM C[C@@H]1COCC[C@H]1C(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571123356 952529702 /nfs/dbraw/zinc/52/97/02/952529702.db2.gz QNIUKUDBTMYZDW-BXUZGUMPSA-N -1 1 376.486 1.243 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575214452 952563634 /nfs/dbraw/zinc/56/36/34/952563634.db2.gz KVOWFWHRTICJBK-SNVBAGLBSA-N -1 1 380.403 1.281 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575214452 952563638 /nfs/dbraw/zinc/56/36/38/952563638.db2.gz KVOWFWHRTICJBK-SNVBAGLBSA-N -1 1 380.403 1.281 20 0 GDADMM Cc1nsc(N[C@H]2C[C@@H](NC(=O)[C@H]3CCO[C@H](C)C3)C2)c1-c1nn[n-]n1 ZINC001571128411 952567635 /nfs/dbraw/zinc/56/76/35/952567635.db2.gz SYFYTYKLGBCUIN-KLHWPWHYSA-N -1 1 377.474 1.506 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001575215005 952567895 /nfs/dbraw/zinc/56/78/95/952567895.db2.gz RMTFKXHGKGUPGV-SNVBAGLBSA-N -1 1 380.403 1.067 20 0 GDADMM Cc1ccccc1C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC001571134203 952587418 /nfs/dbraw/zinc/58/74/18/952587418.db2.gz GDCFBPOMZWHCIE-UKRRQHHQSA-N -1 1 378.440 1.752 20 0 GDADMM Cc1ccccc1C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C ZINC001571134203 952587421 /nfs/dbraw/zinc/58/74/21/952587421.db2.gz GDCFBPOMZWHCIE-UKRRQHHQSA-N -1 1 378.440 1.752 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001571134219 952587623 /nfs/dbraw/zinc/58/76/23/952587623.db2.gz CBWXZUPSWFQSKJ-HIFRSBDPSA-N -1 1 378.440 1.285 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCN(C(=O)c3ccccc3C)CC2)n1 ZINC001571134357 952589448 /nfs/dbraw/zinc/58/94/48/952589448.db2.gz DQIUYQWWAAOGFL-UHFFFAOYSA-N -1 1 378.440 1.626 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCN(C(=O)c3ccccc3C)CC2)n1 ZINC001571134357 952589452 /nfs/dbraw/zinc/58/94/52/952589452.db2.gz DQIUYQWWAAOGFL-UHFFFAOYSA-N -1 1 378.440 1.626 20 0 GDADMM Cc1ccccc1C(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001571134370 952589630 /nfs/dbraw/zinc/58/96/30/952589630.db2.gz HVMPFWWQKSRHHO-AWEZNQCLSA-N -1 1 378.440 1.706 20 0 GDADMM Cc1ccccc1C(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001571134370 952589632 /nfs/dbraw/zinc/58/96/32/952589632.db2.gz HVMPFWWQKSRHHO-AWEZNQCLSA-N -1 1 378.440 1.706 20 0 GDADMM CCc1ccccc1C(=O)N1C[C@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571134989 952598504 /nfs/dbraw/zinc/59/85/04/952598504.db2.gz OIVZYLKOAQNBJV-SWLSCSKDSA-N -1 1 378.440 1.214 20 0 GDADMM Cc1ccc(C(=O)NC[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)c(C)c1 ZINC001571135235 952601221 /nfs/dbraw/zinc/60/12/21/952601221.db2.gz UHLPKICLEMTNLM-AWEZNQCLSA-N -1 1 378.440 1.530 20 0 GDADMM Cc1ccc(C(=O)NC[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)c(C)c1 ZINC001571135235 952601224 /nfs/dbraw/zinc/60/12/24/952601224.db2.gz UHLPKICLEMTNLM-AWEZNQCLSA-N -1 1 378.440 1.530 20 0 GDADMM Cc1ccccc1CC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571135454 952603501 /nfs/dbraw/zinc/60/35/01/952603501.db2.gz XWDVDAYOIZGRQH-OAHLLOKOSA-N -1 1 378.440 1.293 20 0 GDADMM Cc1ccc(C(=O)N2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C[C@H]2C)cc1C ZINC001571135451 952603843 /nfs/dbraw/zinc/60/38/43/952603843.db2.gz XVWCQVDDTNMGQK-UKRRQHHQSA-N -1 1 378.440 1.989 20 0 GDADMM Cc1ccc(C(=O)N2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C[C@H]2C)cc1C ZINC001571135451 952603845 /nfs/dbraw/zinc/60/38/45/952603845.db2.gz XVWCQVDDTNMGQK-UKRRQHHQSA-N -1 1 378.440 1.989 20 0 GDADMM O=C(Cn1c(=O)c(-c2nn[n-]n2)ccc1C(F)(F)F)OCc1ccccc1 ZINC001571141658 952635217 /nfs/dbraw/zinc/63/52/17/952635217.db2.gz JPESAPVLFPWHKJ-UHFFFAOYSA-N -1 1 379.298 1.791 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ccc[nH]2)CCN1c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001571142784 952645743 /nfs/dbraw/zinc/64/57/43/952645743.db2.gz YMOMIESMTYMJDO-SFYZADRCSA-N -1 1 378.849 1.702 20 0 GDADMM O=C(N[C@@H]1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1)c1ccccn1 ZINC001571146529 952649054 /nfs/dbraw/zinc/64/90/54/952649054.db2.gz HUFMOPOXEYXWSK-QWHCGFSZSA-N -1 1 379.428 1.452 20 0 GDADMM O=C(N[C@@H]1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1)c1ccccn1 ZINC001571146529 952649057 /nfs/dbraw/zinc/64/90/57/952649057.db2.gz HUFMOPOXEYXWSK-QWHCGFSZSA-N -1 1 379.428 1.452 20 0 GDADMM CC(C)c1ccc(C(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001571146975 952655507 /nfs/dbraw/zinc/65/55/07/952655507.db2.gz FGYYKMHJUGVLKS-CYBMUJFWSA-N -1 1 379.428 1.502 20 0 GDADMM CC(C)c1ccc(C(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571146975 952655511 /nfs/dbraw/zinc/65/55/11/952655511.db2.gz FGYYKMHJUGVLKS-CYBMUJFWSA-N -1 1 379.428 1.502 20 0 GDADMM CCc1cccc(C(=O)NC2CC(CNc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571147183 952658699 /nfs/dbraw/zinc/65/86/99/952658699.db2.gz IKBUMSJYGUGCGF-UHFFFAOYSA-N -1 1 379.428 1.235 20 0 GDADMM CCc1cccc(C(=O)NC2CC(CNc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571147183 952658704 /nfs/dbraw/zinc/65/87/04/952658704.db2.gz IKBUMSJYGUGCGF-UHFFFAOYSA-N -1 1 379.428 1.235 20 0 GDADMM CO[C@@H](CS(=O)(=O)NCc1ccc(-c2nn[n-]n2)s1)c1ccccc1 ZINC001571150680 952670219 /nfs/dbraw/zinc/67/02/19/952670219.db2.gz DXKHPBPRKRQFGL-ZDUSSCGKSA-N -1 1 379.467 1.735 20 0 GDADMM CCOc1cccc(C(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571154740 952689398 /nfs/dbraw/zinc/68/93/98/952689398.db2.gz ARHLQKIQVJSFEL-CYBMUJFWSA-N -1 1 380.412 1.064 20 0 GDADMM CCOc1cccc(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571154740 952689401 /nfs/dbraw/zinc/68/94/01/952689401.db2.gz ARHLQKIQVJSFEL-CYBMUJFWSA-N -1 1 380.412 1.064 20 0 GDADMM CN(C(=O)[C@@H]1C[C@H]1c1ccco1)C1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571154998 952691863 /nfs/dbraw/zinc/69/18/63/952691863.db2.gz DKTUKBXJNHAXPQ-FIYWTHMPSA-N -1 1 380.412 1.455 20 0 GDADMM CN(C(=O)[C@@H]1C[C@H]1c1ccco1)C1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571154998 952691866 /nfs/dbraw/zinc/69/18/66/952691866.db2.gz DKTUKBXJNHAXPQ-FIYWTHMPSA-N -1 1 380.412 1.455 20 0 GDADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N(C)C[C@@]1(O)CCc2ccccc21 ZINC001571155324 952695645 /nfs/dbraw/zinc/69/56/45/952695645.db2.gz NVBIVYSZHBBUQO-IBGZPJMESA-N -1 1 380.408 1.182 20 0 GDADMM Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)cn1 ZINC001571156090 952700821 /nfs/dbraw/zinc/70/08/21/952700821.db2.gz CDHMAUPXTUFRMS-RISCZKNCSA-N -1 1 379.428 1.180 20 0 GDADMM Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)cn1 ZINC001571156090 952700822 /nfs/dbraw/zinc/70/08/22/952700822.db2.gz CDHMAUPXTUFRMS-RISCZKNCSA-N -1 1 379.428 1.180 20 0 GDADMM Cc1cncc(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1 ZINC001571156538 952702085 /nfs/dbraw/zinc/70/20/85/952702085.db2.gz DBYAVXWKHMYFFL-JSGCOSHPSA-N -1 1 379.428 1.465 20 0 GDADMM Cc1cncc(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1 ZINC001571156538 952702090 /nfs/dbraw/zinc/70/20/90/952702090.db2.gz DBYAVXWKHMYFFL-JSGCOSHPSA-N -1 1 379.428 1.465 20 0 GDADMM COc1cccc(C(=O)N2C[C@H](C)[C@H](Nc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571158266 952710557 /nfs/dbraw/zinc/71/05/57/952710557.db2.gz GARQXZBZHAGFCR-SMDDNHRTSA-N -1 1 380.412 1.238 20 0 GDADMM COc1cccc(C(=O)N2C[C@H](C)[C@H](Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571158266 952710561 /nfs/dbraw/zinc/71/05/61/952710561.db2.gz GARQXZBZHAGFCR-SMDDNHRTSA-N -1 1 380.412 1.238 20 0 GDADMM COc1ccc(C(=O)N2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C[C@@H]2C)cc1 ZINC001571158301 952711014 /nfs/dbraw/zinc/71/10/14/952711014.db2.gz GLKDDXFROLROHG-WCQYABFASA-N -1 1 380.412 1.380 20 0 GDADMM COc1ccc(C(=O)N2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C[C@@H]2C)cc1 ZINC001571158301 952711020 /nfs/dbraw/zinc/71/10/20/952711020.db2.gz GLKDDXFROLROHG-WCQYABFASA-N -1 1 380.412 1.380 20 0 GDADMM COc1ccccc1C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571158306 952711293 /nfs/dbraw/zinc/71/12/93/952711293.db2.gz GQQHVKHMSZEDKP-LBPRGKRZSA-N -1 1 380.412 1.064 20 0 GDADMM COc1ccccc1C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571158306 952711296 /nfs/dbraw/zinc/71/12/96/952711296.db2.gz GQQHVKHMSZEDKP-LBPRGKRZSA-N -1 1 380.412 1.064 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCN3c3cnc(-c4nnn[n-]4)cn3)C2)o1 ZINC001571158727 952714889 /nfs/dbraw/zinc/71/48/89/952714889.db2.gz NMPVIKIUXNBIDM-JSGCOSHPSA-N -1 1 380.412 1.299 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCN3c3cnc(-c4nn[n-]n4)cn3)C2)o1 ZINC001571158727 952714894 /nfs/dbraw/zinc/71/48/94/952714894.db2.gz NMPVIKIUXNBIDM-JSGCOSHPSA-N -1 1 380.412 1.299 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(c2cncc(-c4nnn[n-]4)n2)C3)o1 ZINC001571159300 952717928 /nfs/dbraw/zinc/71/79/28/952717928.db2.gz UCOAWVWTASISRJ-XQQFMLRXSA-N -1 1 380.412 1.345 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(c2cncc(-c4nn[n-]n4)n2)C3)o1 ZINC001571159300 952717930 /nfs/dbraw/zinc/71/79/30/952717930.db2.gz UCOAWVWTASISRJ-XQQFMLRXSA-N -1 1 380.412 1.345 20 0 GDADMM COc1ccccc1C(=O)N1CC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001571159742 952721706 /nfs/dbraw/zinc/72/17/06/952721706.db2.gz ZOZUEBAPPKVLFM-LBPRGKRZSA-N -1 1 380.412 1.016 20 0 GDADMM COc1ccccc1C(=O)N1CC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001571159742 952721709 /nfs/dbraw/zinc/72/17/09/952721709.db2.gz ZOZUEBAPPKVLFM-LBPRGKRZSA-N -1 1 380.412 1.016 20 0 GDADMM Cc1cc(C)nc(C(=O)N2C[C@H](C)[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571159719 952722118 /nfs/dbraw/zinc/72/21/18/952722118.db2.gz VVHTTWVFBSNGSM-XHDPSFHLSA-N -1 1 379.428 1.241 20 0 GDADMM Cc1cc(C)nc(C(=O)N2C[C@H](C)[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571159719 952722123 /nfs/dbraw/zinc/72/21/23/952722123.db2.gz VVHTTWVFBSNGSM-XHDPSFHLSA-N -1 1 379.428 1.241 20 0 GDADMM O=C(Cc1ccoc1)NC1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571160033 952723356 /nfs/dbraw/zinc/72/33/56/952723356.db2.gz BKMLXZIZPDRXKF-AGUYFDCRSA-N -1 1 380.412 1.108 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)c3cccnc3)C[C@@H]2C)n1 ZINC001571160366 952726748 /nfs/dbraw/zinc/72/67/48/952726748.db2.gz ZNRTWLCYGZOXAF-FZMZJTMJSA-N -1 1 379.428 1.323 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)c3cccnc3)C[C@@H]2C)n1 ZINC001571160366 952726754 /nfs/dbraw/zinc/72/67/54/952726754.db2.gz ZNRTWLCYGZOXAF-FZMZJTMJSA-N -1 1 379.428 1.323 20 0 GDADMM O=C(Cc1ccco1)N1CCC[C@H]2[C@@H]1CCN2c1nccnc1-c1nnn[n-]1 ZINC001571161598 952734428 /nfs/dbraw/zinc/73/44/28/952734428.db2.gz YBIKMNLSPBIAQN-KBPBESRZSA-N -1 1 380.412 1.062 20 0 GDADMM O=C(Cc1ccco1)N1CCC[C@H]2[C@@H]1CCN2c1nccnc1-c1nn[n-]n1 ZINC001571161598 952734434 /nfs/dbraw/zinc/73/44/34/952734434.db2.gz YBIKMNLSPBIAQN-KBPBESRZSA-N -1 1 380.412 1.062 20 0 GDADMM O=C([C@H]1CCCC12CC2)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001571171529 952794216 /nfs/dbraw/zinc/79/42/16/952794216.db2.gz BQPVMOHSUGJEDR-HZSPNIEDSA-N -1 1 380.456 1.417 20 0 GDADMM O=C([C@H]1CCCC12CC2)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001571171529 952794218 /nfs/dbraw/zinc/79/42/18/952794218.db2.gz BQPVMOHSUGJEDR-HZSPNIEDSA-N -1 1 380.456 1.417 20 0 GDADMM O=C(C1=CCCC1)N1CCC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CC[C@H]21 ZINC001571171721 952796282 /nfs/dbraw/zinc/79/62/82/952796282.db2.gz DZJUOLUMBVWKQV-LSDHHAIUSA-N -1 1 380.456 1.584 20 0 GDADMM O=C(CC1CC1)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1c1nccnc1-c1nnn[n-]1 ZINC001571171685 952796318 /nfs/dbraw/zinc/79/63/18/952796318.db2.gz CXTONQDEXPNJTO-XGUBFFRZSA-N -1 1 380.456 1.130 20 0 GDADMM O=C(CC1CC1)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1c1nccnc1-c1nn[n-]n1 ZINC001571171685 952796321 /nfs/dbraw/zinc/79/63/21/952796321.db2.gz CXTONQDEXPNJTO-XGUBFFRZSA-N -1 1 380.456 1.130 20 0 GDADMM O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001571171767 952797134 /nfs/dbraw/zinc/79/71/34/952797134.db2.gz GFUHYXNERNHSTH-ZHMBSYLPSA-N -1 1 380.456 1.130 20 0 GDADMM O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001571171767 952797140 /nfs/dbraw/zinc/79/71/40/952797140.db2.gz GFUHYXNERNHSTH-ZHMBSYLPSA-N -1 1 380.456 1.130 20 0 GDADMM O=C(NC[C@@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1)c1cnco1 ZINC001571171868 952797716 /nfs/dbraw/zinc/79/77/16/952797716.db2.gz HDMHWDMUFCKELA-ZETCQYMHSA-N -1 1 380.821 1.221 20 0 GDADMM O=C(NC[C@@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1)c1cnco1 ZINC001571171868 952797718 /nfs/dbraw/zinc/79/77/18/952797718.db2.gz HDMHWDMUFCKELA-ZETCQYMHSA-N -1 1 380.821 1.221 20 0 GDADMM O=C(N[C@@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nn1)CC2)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001571172098 952801248 /nfs/dbraw/zinc/80/12/48/952801248.db2.gz MFGGPEKGUVUXET-FIRUKDTASA-N -1 1 380.456 1.178 20 0 GDADMM O=C(N[C@@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nn1)CC2)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001571172098 952801253 /nfs/dbraw/zinc/80/12/53/952801253.db2.gz MFGGPEKGUVUXET-FIRUKDTASA-N -1 1 380.456 1.178 20 0 GDADMM Cc1ocnc1C(=O)N[C@H]1C[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571172114 952801517 /nfs/dbraw/zinc/80/15/17/952801517.db2.gz MPTNTBYVFOXAAD-KNVOCYPGSA-N -1 1 380.821 1.646 20 0 GDADMM Cc1ocnc1C(=O)N[C@H]1C[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571172114 952801522 /nfs/dbraw/zinc/80/15/22/952801522.db2.gz MPTNTBYVFOXAAD-KNVOCYPGSA-N -1 1 380.821 1.646 20 0 GDADMM O=C(N[C@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2)[C@H]1C[C@H]2C[C@H]2C1 ZINC001571172270 952804007 /nfs/dbraw/zinc/80/40/07/952804007.db2.gz RLSFYUDUFSJKLV-DGAVXFQQSA-N -1 1 380.456 1.178 20 0 GDADMM COC(=O)c1ccc2c(c1)CCN(C(=O)c1cccc(F)c1-c1nnn[n-]1)C2 ZINC001571172207 952804671 /nfs/dbraw/zinc/80/46/71/952804671.db2.gz PCZYAZZRYMZVJN-UHFFFAOYSA-N -1 1 381.367 1.991 20 0 GDADMM COC(=O)c1ccc2c(c1)CCN(C(=O)c1cccc(F)c1-c1nn[n-]n1)C2 ZINC001571172207 952804676 /nfs/dbraw/zinc/80/46/76/952804676.db2.gz PCZYAZZRYMZVJN-UHFFFAOYSA-N -1 1 381.367 1.991 20 0 GDADMM O=C(NC1CC(CNc2nccnc2-c2nnn[n-]2)C1)c1cc(C2CC2)on1 ZINC001571175948 952827659 /nfs/dbraw/zinc/82/76/59/952827659.db2.gz JIIWZQMQRCHZNN-UHFFFAOYSA-N -1 1 381.400 1.143 20 0 GDADMM O=C(NC1CC(CNc2nccnc2-c2nn[n-]n2)C1)c1cc(C2CC2)on1 ZINC001571175948 952827663 /nfs/dbraw/zinc/82/76/63/952827663.db2.gz JIIWZQMQRCHZNN-UHFFFAOYSA-N -1 1 381.400 1.143 20 0 GDADMM CCc1[nH]ccc1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001571184084 952888130 /nfs/dbraw/zinc/88/81/30/952888130.db2.gz PYJVGGCKASVKBV-BXUZGUMPSA-N -1 1 381.444 1.335 20 0 GDADMM Cc1[nH]ccc1C(=O)NC[C@@H]1CCCCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571184985 952899016 /nfs/dbraw/zinc/89/90/16/952899016.db2.gz GIJZKVCMIVSFRT-ZDUSSCGKSA-N -1 1 381.444 1.472 20 0 GDADMM Cc1[nH]ccc1C(=O)NC[C@@H]1CCCCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571184985 952899020 /nfs/dbraw/zinc/89/90/20/952899020.db2.gz GIJZKVCMIVSFRT-ZDUSSCGKSA-N -1 1 381.444 1.472 20 0 GDADMM Cc1c(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)[C@H]2C)ccn1C ZINC001571185027 952899704 /nfs/dbraw/zinc/89/97/04/952899704.db2.gz GYHAIBHBAZDGNS-GXTWGEPZSA-N -1 1 381.444 1.091 20 0 GDADMM Cc1c(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)[C@H]2C)ccn1C ZINC001571185027 952899710 /nfs/dbraw/zinc/89/97/10/952899710.db2.gz GYHAIBHBAZDGNS-GXTWGEPZSA-N -1 1 381.444 1.091 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CCCCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571185777 952903400 /nfs/dbraw/zinc/90/34/00/952903400.db2.gz PKSNIGICVSQWEA-ZDUSSCGKSA-N -1 1 381.444 1.790 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CCCCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571185777 952903403 /nfs/dbraw/zinc/90/34/03/952903403.db2.gz PKSNIGICVSQWEA-ZDUSSCGKSA-N -1 1 381.444 1.790 20 0 GDADMM CCn1ccc(C(=O)NC[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)c1C ZINC001571186624 952908257 /nfs/dbraw/zinc/90/82/57/952908257.db2.gz YTKRGQXHKDTKRI-CYBMUJFWSA-N -1 1 381.444 1.043 20 0 GDADMM CCn1ccc(C(=O)NC[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)c1C ZINC001571186624 952908263 /nfs/dbraw/zinc/90/82/63/952908263.db2.gz YTKRGQXHKDTKRI-CYBMUJFWSA-N -1 1 381.444 1.043 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CC2(C)C)c(C)[nH]1 ZINC001571187681 952908934 /nfs/dbraw/zinc/90/89/34/952908934.db2.gz AOHWBJLDGRZKFK-CYBMUJFWSA-N -1 1 381.444 1.246 20 0 GDADMM Cc1cc[nH]c1C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C ZINC001571188111 952911724 /nfs/dbraw/zinc/91/17/24/952911724.db2.gz FOWWECCBVDVRNR-CYBMUJFWSA-N -1 1 381.444 1.328 20 0 GDADMM Cc1cc[nH]c1C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C ZINC001571188111 952911727 /nfs/dbraw/zinc/91/17/27/952911727.db2.gz FOWWECCBVDVRNR-CYBMUJFWSA-N -1 1 381.444 1.328 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H]([C@H](C)Nc3nccnc3-c3nnn[n-]3)C2)c(C)[nH]1 ZINC001571188357 952913138 /nfs/dbraw/zinc/91/31/38/952913138.db2.gz JHQFIMCOCQJDTQ-WCQYABFASA-N -1 1 381.444 1.564 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H]([C@H](C)Nc3nccnc3-c3nn[n-]n3)C2)c(C)[nH]1 ZINC001571188357 952913143 /nfs/dbraw/zinc/91/31/43/952913143.db2.gz JHQFIMCOCQJDTQ-WCQYABFASA-N -1 1 381.444 1.564 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)n1C ZINC001571188909 952921744 /nfs/dbraw/zinc/92/17/44/952921744.db2.gz PGHDLTSXCFPBQF-CHWSQXEVSA-N -1 1 381.444 1.314 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)n1C ZINC001571188909 952921749 /nfs/dbraw/zinc/92/17/49/952921749.db2.gz PGHDLTSXCFPBQF-CHWSQXEVSA-N -1 1 381.444 1.314 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCCN(C(=O)c3ccccc3F)C2)n1 ZINC001571195678 952977746 /nfs/dbraw/zinc/97/77/46/952977746.db2.gz DEOKJLVNVNMINP-LBPRGKRZSA-N -1 1 382.403 1.821 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCCN(C(=O)c3ccccc3F)C2)n1 ZINC001571195678 952977750 /nfs/dbraw/zinc/97/77/50/952977750.db2.gz DEOKJLVNVNMINP-LBPRGKRZSA-N -1 1 382.403 1.821 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)[C@H](F)c3ccccc3)C2)n1 ZINC001571195798 952979501 /nfs/dbraw/zinc/97/95/01/952979501.db2.gz GBTNWOLNOHATRK-DZGCQCFKSA-N -1 1 382.403 1.371 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)[C@H](F)c3ccccc3)C2)n1 ZINC001571195798 952979506 /nfs/dbraw/zinc/97/95/06/952979506.db2.gz GBTNWOLNOHATRK-DZGCQCFKSA-N -1 1 382.403 1.371 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)c3ccc(C)c(F)c3)C2)n1 ZINC001571196150 952979776 /nfs/dbraw/zinc/97/97/76/952979776.db2.gz HYEFVROACOZSMT-ZDUSSCGKSA-N -1 1 382.403 1.739 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)c3ccc(C)c(F)c3)C2)n1 ZINC001571196150 952979780 /nfs/dbraw/zinc/97/97/80/952979780.db2.gz HYEFVROACOZSMT-ZDUSSCGKSA-N -1 1 382.403 1.739 20 0 GDADMM CN(c1nccnc1-c1nnn[n-]1)C1CCN(C(=O)c2cccc(F)c2)CC1 ZINC001571196687 952983240 /nfs/dbraw/zinc/98/32/40/952983240.db2.gz MFQGQROZDZFMQS-UHFFFAOYSA-N -1 1 382.403 1.537 20 0 GDADMM CN(c1nccnc1-c1nn[n-]n1)C1CCN(C(=O)c2cccc(F)c2)CC1 ZINC001571196687 952983244 /nfs/dbraw/zinc/98/32/44/952983244.db2.gz MFQGQROZDZFMQS-UHFFFAOYSA-N -1 1 382.403 1.537 20 0 GDADMM CN(C(=O)[C@@H](F)c1ccccc1)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571197180 952987264 /nfs/dbraw/zinc/98/72/64/952987264.db2.gz UAOTWQWYMSELIM-CJNGLKHVSA-N -1 1 382.403 1.405 20 0 GDADMM CN(C(=O)[C@@H](F)c1ccccc1)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571197180 952987269 /nfs/dbraw/zinc/98/72/69/952987269.db2.gz UAOTWQWYMSELIM-CJNGLKHVSA-N -1 1 382.403 1.405 20 0 GDADMM Cc1ccc(C(=O)N(C)[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)cc1F ZINC001571197200 952987605 /nfs/dbraw/zinc/98/76/05/952987605.db2.gz UAUVAKCEYJKWAA-ZDUSSCGKSA-N -1 1 382.403 1.455 20 0 GDADMM Cc1ccc(C(=O)N(C)[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)cc1F ZINC001571197200 952987607 /nfs/dbraw/zinc/98/76/07/952987607.db2.gz UAUVAKCEYJKWAA-ZDUSSCGKSA-N -1 1 382.403 1.455 20 0 GDADMM Cc1c(F)cccc1C(=O)N1CC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001571197393 952989409 /nfs/dbraw/zinc/98/94/09/952989409.db2.gz YZWXCCXQGVQQKH-GFCCVEGCSA-N -1 1 382.403 1.455 20 0 GDADMM Cc1c(F)cccc1C(=O)N1CC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001571197393 952989414 /nfs/dbraw/zinc/98/94/14/952989414.db2.gz YZWXCCXQGVQQKH-GFCCVEGCSA-N -1 1 382.403 1.455 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@@H](NC(=O)Cc3ccoc3)C2)n1 ZINC001571198560 952991155 /nfs/dbraw/zinc/99/11/55/952991155.db2.gz CEOIPBXDMIVKEA-CYBMUJFWSA-N -1 1 382.428 1.140 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@@H](NC(=O)Cc3ccoc3)C2)n1 ZINC001571198560 952991158 /nfs/dbraw/zinc/99/11/58/952991158.db2.gz CEOIPBXDMIVKEA-CYBMUJFWSA-N -1 1 382.428 1.140 20 0 GDADMM Cc1cc(C(=O)N(C)[C@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)c(C)o1 ZINC001571198703 952992494 /nfs/dbraw/zinc/99/24/94/952992494.db2.gz DMQZCYGMPOVEBW-ZDUSSCGKSA-N -1 1 382.428 1.526 20 0 GDADMM Cc1cc(C(=O)N(C)[C@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)c(C)o1 ZINC001571198703 952992500 /nfs/dbraw/zinc/99/25/00/952992500.db2.gz DMQZCYGMPOVEBW-ZDUSSCGKSA-N -1 1 382.428 1.526 20 0 GDADMM Cc1cc(C)c(C(=O)NC[C@@H]2CCCN2c2nc(C)cc(-c3nnn[n-]3)n2)o1 ZINC001571198960 952995495 /nfs/dbraw/zinc/99/54/95/952995495.db2.gz ISTIVOSPNZCWCV-ZDUSSCGKSA-N -1 1 382.428 1.574 20 0 GDADMM Cc1cc(C)c(C(=O)NC[C@@H]2CCCN2c2nc(C)cc(-c3nn[n-]n3)n2)o1 ZINC001571198960 952995497 /nfs/dbraw/zinc/99/54/97/952995497.db2.gz ISTIVOSPNZCWCV-ZDUSSCGKSA-N -1 1 382.428 1.574 20 0 GDADMM CCc1occc1C(=O)N1CC[C@H](Nc2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001571199629 953003215 /nfs/dbraw/zinc/00/32/15/953003215.db2.gz WYHPFQQMJQCPLK-NSHDSACASA-N -1 1 382.428 1.701 20 0 GDADMM CCc1occc1C(=O)N1CC[C@H](Nc2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001571199629 953003221 /nfs/dbraw/zinc/00/32/21/953003221.db2.gz WYHPFQQMJQCPLK-NSHDSACASA-N -1 1 382.428 1.701 20 0 GDADMM C[C@H]1CN(C(=O)CCc2ccco2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571199927 953004938 /nfs/dbraw/zinc/00/49/38/953004938.db2.gz CVRIDKYLPGXZIX-STQMWFEESA-N -1 1 382.428 1.389 20 0 GDADMM C[C@H]1CN(C(=O)CCc2ccco2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571199927 953004940 /nfs/dbraw/zinc/00/49/40/953004940.db2.gz CVRIDKYLPGXZIX-STQMWFEESA-N -1 1 382.428 1.389 20 0 GDADMM Cc1ccoc1C(=O)N1CCC[C@@H]([C@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571200109 953007836 /nfs/dbraw/zinc/00/78/36/953007836.db2.gz ARSSFEYQBVGNKQ-QWHCGFSZSA-N -1 1 382.428 1.911 20 0 GDADMM Cc1ccoc1C(=O)N1CCC[C@@H]([C@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571200109 953007837 /nfs/dbraw/zinc/00/78/37/953007837.db2.gz ARSSFEYQBVGNKQ-QWHCGFSZSA-N -1 1 382.428 1.911 20 0 GDADMM O=C(N[C@@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1F ZINC001571200506 953009717 /nfs/dbraw/zinc/00/97/17/953009717.db2.gz JFQKDIWWAJQPHE-NWDGAFQWSA-N -1 1 382.403 1.228 20 0 GDADMM Cc1cc(C(=O)N2C[C@H](C)[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)c(C)o1 ZINC001571200776 953012401 /nfs/dbraw/zinc/01/24/01/953012401.db2.gz GAHDJIANNDPUSU-GXFFZTMASA-N -1 1 382.428 1.687 20 0 GDADMM Cc1cc(C(=O)N2C[C@H](C)[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)c(C)o1 ZINC001571200776 953012405 /nfs/dbraw/zinc/01/24/05/953012405.db2.gz GAHDJIANNDPUSU-GXFFZTMASA-N -1 1 382.428 1.687 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C[C@H]2C)oc1C ZINC001571200894 953012675 /nfs/dbraw/zinc/01/26/75/953012675.db2.gz HPMIONKQVFRZAY-DGCLKSJQSA-N -1 1 382.428 1.972 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C[C@H]2C)oc1C ZINC001571200894 953012677 /nfs/dbraw/zinc/01/26/77/953012677.db2.gz HPMIONKQVFRZAY-DGCLKSJQSA-N -1 1 382.428 1.972 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCCCN2C(=O)Cc2ccco2)n1 ZINC001571201048 953013652 /nfs/dbraw/zinc/01/36/52/953013652.db2.gz IVVFJGMBMKDSSS-ZDUSSCGKSA-N -1 1 382.428 1.594 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCCCN2C(=O)Cc2ccco2)n1 ZINC001571201048 953013654 /nfs/dbraw/zinc/01/36/54/953013654.db2.gz IVVFJGMBMKDSSS-ZDUSSCGKSA-N -1 1 382.428 1.594 20 0 GDADMM Cc1cocc1C(=O)N[C@H]1CC[C@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571201069 953013742 /nfs/dbraw/zinc/01/37/42/953013742.db2.gz JETLNTYMDMUDSQ-STQMWFEESA-N -1 1 382.428 1.877 20 0 GDADMM Cc1cocc1C(=O)N[C@H]1CC[C@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571201069 953013745 /nfs/dbraw/zinc/01/37/45/953013745.db2.gz JETLNTYMDMUDSQ-STQMWFEESA-N -1 1 382.428 1.877 20 0 GDADMM O=C(NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccc(CF)cc1 ZINC001571201437 953017321 /nfs/dbraw/zinc/01/73/21/953017321.db2.gz PYGBEGUXELSDIU-UHFFFAOYSA-N -1 1 382.403 1.747 20 0 GDADMM O=C(NCC1CC(Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccc(CF)cc1 ZINC001571201437 953017324 /nfs/dbraw/zinc/01/73/24/953017324.db2.gz PYGBEGUXELSDIU-UHFFFAOYSA-N -1 1 382.403 1.747 20 0 GDADMM Cc1coc(C)c1C(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)[C@H]1C ZINC001571202572 953026815 /nfs/dbraw/zinc/02/68/15/953026815.db2.gz VDNAKBWPQNIYRF-DGCLKSJQSA-N -1 1 382.428 1.890 20 0 GDADMM Cc1coc(C)c1C(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)[C@H]1C ZINC001571202572 953026818 /nfs/dbraw/zinc/02/68/18/953026818.db2.gz VDNAKBWPQNIYRF-DGCLKSJQSA-N -1 1 382.428 1.890 20 0 GDADMM CC(C)n1cnc(C(=O)NC[C@H]2C[C@H](Nc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001571205705 953041329 /nfs/dbraw/zinc/04/13/29/953041329.db2.gz NEQYVLVBYZYQGT-HAQNSBGRSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cnc(C(=O)NC[C@H]2C[C@H](Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001571205705 953041332 /nfs/dbraw/zinc/04/13/32/953041332.db2.gz NEQYVLVBYZYQGT-HAQNSBGRSA-N -1 1 382.432 1.055 20 0 GDADMM Cc1occc1C(=O)N1CCC[C@H](C)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571206210 953048173 /nfs/dbraw/zinc/04/81/73/953048173.db2.gz NAMQNLVOLBNOIW-XHDPSFHLSA-N -1 1 382.428 1.911 20 0 GDADMM Cc1occc1C(=O)N1CCC[C@H](C)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571206210 953048177 /nfs/dbraw/zinc/04/81/77/953048177.db2.gz NAMQNLVOLBNOIW-XHDPSFHLSA-N -1 1 382.428 1.911 20 0 GDADMM Cc1oc(C)c(C(=O)NC2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)c1C ZINC001571206958 953057984 /nfs/dbraw/zinc/05/79/84/953057984.db2.gz UWKZWBYEYUQODM-UHFFFAOYSA-N -1 1 382.428 1.574 20 0 GDADMM Cc1oc(C)c(C(=O)NC2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)c1C ZINC001571206958 953057988 /nfs/dbraw/zinc/05/79/88/953057988.db2.gz UWKZWBYEYUQODM-UHFFFAOYSA-N -1 1 382.428 1.574 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccsc2)C3)n1 ZINC001571209726 953066682 /nfs/dbraw/zinc/06/66/82/953066682.db2.gz BVMMWHVAQWVRLR-BZPMIXESSA-N -1 1 382.453 1.566 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccsc2)C3)n1 ZINC001571209726 953066686 /nfs/dbraw/zinc/06/66/86/953066686.db2.gz BVMMWHVAQWVRLR-BZPMIXESSA-N -1 1 382.453 1.566 20 0 GDADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC001571211539 953077865 /nfs/dbraw/zinc/07/78/65/953077865.db2.gz BAHXWTGXFRKVJU-TUKIKUTGSA-N -1 1 382.472 1.742 20 0 GDADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC001571211539 953077869 /nfs/dbraw/zinc/07/78/69/953077869.db2.gz BAHXWTGXFRKVJU-TUKIKUTGSA-N -1 1 382.472 1.742 20 0 GDADMM CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)C1CCC1 ZINC001571211551 953078881 /nfs/dbraw/zinc/07/88/81/953078881.db2.gz BIVYJYGTANWNHH-NFAWXSAZSA-N -1 1 382.472 1.709 20 0 GDADMM CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)C1CCC1 ZINC001571211551 953078885 /nfs/dbraw/zinc/07/88/85/953078885.db2.gz BIVYJYGTANWNHH-NFAWXSAZSA-N -1 1 382.472 1.709 20 0 GDADMM CCC1(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)nn2)CCCC1 ZINC001571211564 953078918 /nfs/dbraw/zinc/07/89/18/953078918.db2.gz BUTAETJYKYGYCA-OKILXGFUSA-N -1 1 382.472 1.807 20 0 GDADMM CCC1(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)nn2)CCCC1 ZINC001571211564 953078921 /nfs/dbraw/zinc/07/89/21/953078921.db2.gz BUTAETJYKYGYCA-OKILXGFUSA-N -1 1 382.472 1.807 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@@H](NC(=O)C3CCCC3)C23CCC3)n1 ZINC001571212043 953082257 /nfs/dbraw/zinc/08/22/57/953082257.db2.gz HUZJLJCKNOTPPQ-CABCVRRESA-N -1 1 382.472 1.995 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@@H](NC(=O)C3CCCC3)C23CCC3)n1 ZINC001571212043 953082262 /nfs/dbraw/zinc/08/22/62/953082262.db2.gz HUZJLJCKNOTPPQ-CABCVRRESA-N -1 1 382.472 1.995 20 0 GDADMM Cc1ncc(C(=O)N[C@@H]2CCCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)[nH]1 ZINC001571212169 953085092 /nfs/dbraw/zinc/08/50/92/953085092.db2.gz KIJYQIAIXRGECQ-VXGBXAGGSA-N -1 1 382.432 1.089 20 0 GDADMM CCc1nc(NCC2CC(NC(=O)[C@]34C[C@H]3CCC4)C2)cc(-c2nnn[n-]2)n1 ZINC001571212280 953086400 /nfs/dbraw/zinc/08/64/00/953086400.db2.gz KNXOUDLZOZAMIE-OHXFKHHXSA-N -1 1 382.472 1.716 20 0 GDADMM CCc1nc(NCC2CC(NC(=O)[C@]34C[C@H]3CCC4)C2)cc(-c2nn[n-]n2)n1 ZINC001571212280 953086404 /nfs/dbraw/zinc/08/64/04/953086404.db2.gz KNXOUDLZOZAMIE-OHXFKHHXSA-N -1 1 382.472 1.716 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)C[C@@H]1C[C@H]1C1CC1)c1nccnc1-c1nnn[n-]1 ZINC001571212290 953086610 /nfs/dbraw/zinc/08/66/10/953086610.db2.gz KSGMEEOAYKKFQV-ZNMIVQPWSA-N -1 1 382.472 1.520 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)C[C@@H]1C[C@H]1C1CC1)c1nccnc1-c1nn[n-]n1 ZINC001571212290 953086613 /nfs/dbraw/zinc/08/66/13/953086613.db2.gz KSGMEEOAYKKFQV-ZNMIVQPWSA-N -1 1 382.472 1.520 20 0 GDADMM C[C@H]1C[C@@H]1C(=O)N1CCC(N(CC2CC2)c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571212441 953088047 /nfs/dbraw/zinc/08/80/47/953088047.db2.gz LQJADAOOMCYZRJ-WFASDCNBSA-N -1 1 382.472 1.520 20 0 GDADMM C[C@H]1C[C@@H]1C(=O)N1CCC(N(CC2CC2)c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571212441 953088051 /nfs/dbraw/zinc/08/80/51/953088051.db2.gz LQJADAOOMCYZRJ-WFASDCNBSA-N -1 1 382.472 1.520 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)NC1CC2(C1)CC(Nc1ccc(-c3nnn[n-]3)nn1)C2 ZINC001571212528 953089172 /nfs/dbraw/zinc/08/91/72/953089172.db2.gz MWKOERBABVSXET-LKRWXEKCSA-N -1 1 382.472 1.788 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)NC1CC2(C1)CC(Nc1ccc(-c3nn[n-]n3)nn1)C2 ZINC001571212528 953089176 /nfs/dbraw/zinc/08/91/76/953089176.db2.gz MWKOERBABVSXET-LKRWXEKCSA-N -1 1 382.472 1.788 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CN(C(=O)[C@@H]3CC34CCC4)C[C@H]2C)n1 ZINC001571212970 953091687 /nfs/dbraw/zinc/09/16/87/953091687.db2.gz OPEJXRUMZJEOEG-BNOWGMLFSA-N -1 1 382.472 1.662 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CN(C(=O)[C@@H]3CC34CCC4)C[C@H]2C)n1 ZINC001571212970 953091692 /nfs/dbraw/zinc/09/16/92/953091692.db2.gz OPEJXRUMZJEOEG-BNOWGMLFSA-N -1 1 382.472 1.662 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H]2CNC(=O)[C@@H]2C[C@H]2C2CCC2)n1 ZINC001571212987 953091752 /nfs/dbraw/zinc/09/17/52/953091752.db2.gz PFZMYPOMXLDSGU-QLFBSQMISA-N -1 1 382.472 1.486 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H]2CNC(=O)[C@@H]2C[C@H]2C2CCC2)n1 ZINC001571212987 953091755 /nfs/dbraw/zinc/09/17/55/953091755.db2.gz PFZMYPOMXLDSGU-QLFBSQMISA-N -1 1 382.472 1.486 20 0 GDADMM C[C@@H]1CN(C(=O)[C@H]2CC3CCC2CC3)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571213662 953096376 /nfs/dbraw/zinc/09/63/76/953096376.db2.gz SRZCFIPJZSORAS-KMUFZGBWSA-N -1 1 382.472 1.742 20 0 GDADMM C[C@@H]1CN(C(=O)[C@H]2CC3CCC2CC3)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571213662 953096384 /nfs/dbraw/zinc/09/63/84/953096384.db2.gz SRZCFIPJZSORAS-KMUFZGBWSA-N -1 1 382.472 1.742 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NCC2CC(NC(=O)[C@@H]3C[C@H]3C3CCC3)C2)n1 ZINC001571213673 953096397 /nfs/dbraw/zinc/09/63/97/953096397.db2.gz TUWMXCVXHHPSDZ-RIXNLZLZSA-N -1 1 382.472 1.708 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NCC2CC(NC(=O)[C@@H]3C[C@H]3C3CCC3)C2)n1 ZINC001571213673 953096405 /nfs/dbraw/zinc/09/64/05/953096405.db2.gz TUWMXCVXHHPSDZ-RIXNLZLZSA-N -1 1 382.472 1.708 20 0 GDADMM CC1(C)CCC[C@H]1C(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001571214041 953098633 /nfs/dbraw/zinc/09/86/33/953098633.db2.gz VPEJJBIWPGZTKC-MJBXVCDLSA-N -1 1 382.472 1.378 20 0 GDADMM CC1(C)CCC[C@H]1C(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001571214041 953098638 /nfs/dbraw/zinc/09/86/38/953098638.db2.gz VPEJJBIWPGZTKC-MJBXVCDLSA-N -1 1 382.472 1.378 20 0 GDADMM CCc1nc(N[C@H]2C[C@@H](CNC(=O)[C@H]3C[C@H]4C[C@H]4C3)C2)cc(-c2nnn[n-]2)n1 ZINC001571214014 953098740 /nfs/dbraw/zinc/09/87/40/953098740.db2.gz VBNGPZHXFVDNPB-NCXVQASTSA-N -1 1 382.472 1.572 20 0 GDADMM CCc1nc(N[C@H]2C[C@@H](CNC(=O)[C@H]3C[C@H]4C[C@H]4C3)C2)cc(-c2nn[n-]n2)n1 ZINC001571214014 953098743 /nfs/dbraw/zinc/09/87/43/953098743.db2.gz VBNGPZHXFVDNPB-NCXVQASTSA-N -1 1 382.472 1.572 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@]3(NC(=O)[C@@H](C)C4CC4)CCC[C@@H]23)n1 ZINC001571214096 953099285 /nfs/dbraw/zinc/09/92/85/953099285.db2.gz WXFCVTGVQSFTLG-IOHHAYIISA-N -1 1 382.472 1.629 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@]3(NC(=O)[C@@H](C)C4CC4)CCC[C@@H]23)n1 ZINC001571214096 953099287 /nfs/dbraw/zinc/09/92/87/953099287.db2.gz WXFCVTGVQSFTLG-IOHHAYIISA-N -1 1 382.472 1.629 20 0 GDADMM CC[C@@H]1CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)CC[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571214390 953101810 /nfs/dbraw/zinc/10/18/10/953101810.db2.gz YFEQFYORQNSHRW-MRLBHPIUSA-N -1 1 382.472 1.742 20 0 GDADMM CC[C@@H]1CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)CC[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571214390 953101814 /nfs/dbraw/zinc/10/18/14/953101814.db2.gz YFEQFYORQNSHRW-MRLBHPIUSA-N -1 1 382.472 1.742 20 0 GDADMM C[C@@H]1CN(C(=O)C23CCC(CC2)C3)CC[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571214464 953102401 /nfs/dbraw/zinc/10/24/01/953102401.db2.gz ZANXLVUFDJUOFW-QWHDWNGZSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@@H]1CN(C(=O)C23CCC(CC2)C3)CC[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571214464 953102403 /nfs/dbraw/zinc/10/24/03/953102403.db2.gz ZANXLVUFDJUOFW-QWHDWNGZSA-N -1 1 382.472 1.886 20 0 GDADMM O=C(N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)[C@H]1CCCC2(CC2)C1 ZINC001571218431 953114899 /nfs/dbraw/zinc/11/48/99/953114899.db2.gz NLLZJWYSEOUQCJ-UONOGXRCSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)[C@H]1CCCC2(CC2)C1 ZINC001571218431 953114902 /nfs/dbraw/zinc/11/49/02/953114902.db2.gz NLLZJWYSEOUQCJ-UONOGXRCSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(CC1CC1)N1CCCC[C@@H]1[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571219075 953122531 /nfs/dbraw/zinc/12/25/31/953122531.db2.gz UQESIPAWZUPLAL-GOEBONIOSA-N -1 1 382.472 1.664 20 0 GDADMM O=C(CC1CC1)N1CCCC[C@@H]1[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571219075 953122534 /nfs/dbraw/zinc/12/25/34/953122534.db2.gz UQESIPAWZUPLAL-GOEBONIOSA-N -1 1 382.472 1.664 20 0 GDADMM CCc1nc(N[C@H]2C[C@@H](CNC(=O)c3oncc3C)C2)cc(-c2nnn[n-]2)n1 ZINC001571222218 953132390 /nfs/dbraw/zinc/13/23/90/953132390.db2.gz AACICRUKUULJKQ-PHIMTYICSA-N -1 1 383.416 1.136 20 0 GDADMM CCc1nc(N[C@H]2C[C@@H](CNC(=O)c3oncc3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571222218 953132392 /nfs/dbraw/zinc/13/23/92/953132392.db2.gz AACICRUKUULJKQ-PHIMTYICSA-N -1 1 383.416 1.136 20 0 GDADMM CCc1oncc1C(=O)N[C@@H]1C[C@H](Nc2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001571222231 953132740 /nfs/dbraw/zinc/13/27/40/953132740.db2.gz AWAWSTURUANROX-AOOOYVTPSA-N -1 1 383.416 1.142 20 0 GDADMM CCc1oncc1C(=O)N[C@@H]1C[C@H](Nc2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001571222231 953132742 /nfs/dbraw/zinc/13/27/42/953132742.db2.gz AWAWSTURUANROX-AOOOYVTPSA-N -1 1 383.416 1.142 20 0 GDADMM CCc1nc(C)c(C(=O)NCC2CC(Nc3ccc(-c4nnn[n-]4)nn3)C2)o1 ZINC001571223266 953143260 /nfs/dbraw/zinc/14/32/60/953143260.db2.gz RYEBAYYANDUMFV-UHFFFAOYSA-N -1 1 383.416 1.136 20 0 GDADMM CCc1nc(C)c(C(=O)NCC2CC(Nc3ccc(-c4nn[n-]n4)nn3)C2)o1 ZINC001571223266 953143263 /nfs/dbraw/zinc/14/32/63/953143263.db2.gz RYEBAYYANDUMFV-UHFFFAOYSA-N -1 1 383.416 1.136 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CN(C(=O)c3cnco3)CC[C@H]2C)n1 ZINC001571224751 953151451 /nfs/dbraw/zinc/15/14/51/953151451.db2.gz FNGYUPVWKAHXPS-PWSUYJOCSA-N -1 1 383.416 1.163 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CN(C(=O)c3cnco3)CC[C@H]2C)n1 ZINC001571224751 953151452 /nfs/dbraw/zinc/15/14/52/953151452.db2.gz FNGYUPVWKAHXPS-PWSUYJOCSA-N -1 1 383.416 1.163 20 0 GDADMM Cc1conc1C(=O)N1CCCC[C@@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001571225964 953155340 /nfs/dbraw/zinc/15/53/40/953155340.db2.gz PDFCEEXBKAWRRK-GFCCVEGCSA-N -1 1 383.416 1.084 20 0 GDADMM Cc1conc1C(=O)N1CCCC[C@@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001571225964 953155345 /nfs/dbraw/zinc/15/53/45/953155345.db2.gz PDFCEEXBKAWRRK-GFCCVEGCSA-N -1 1 383.416 1.084 20 0 GDADMM Cc1cc(C(=O)N2CCC(CCNc3cncc(-c4nnn[n-]4)n3)CC2)no1 ZINC001571226905 953156657 /nfs/dbraw/zinc/15/66/57/953156657.db2.gz WNQFKTWPTWIYIG-UHFFFAOYSA-N -1 1 383.416 1.308 20 0 GDADMM Cc1cc(C(=O)N2CCC(CCNc3cncc(-c4nn[n-]n4)n3)CC2)no1 ZINC001571226905 953156660 /nfs/dbraw/zinc/15/66/60/953156660.db2.gz WNQFKTWPTWIYIG-UHFFFAOYSA-N -1 1 383.416 1.308 20 0 GDADMM Cc1ncoc1C(=O)N1C[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001571226925 953157772 /nfs/dbraw/zinc/15/77/72/953157772.db2.gz XBNRQVOSNZHHKZ-BXKDBHETSA-N -1 1 383.416 1.082 20 0 GDADMM Cc1ncoc1C(=O)N1C[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001571226925 953157773 /nfs/dbraw/zinc/15/77/73/953157773.db2.gz XBNRQVOSNZHHKZ-BXKDBHETSA-N -1 1 383.416 1.082 20 0 GDADMM Cc1nocc1C(=O)N1CCC[C@@H](C)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571228844 953166961 /nfs/dbraw/zinc/16/69/61/953166961.db2.gz WJXXWWBSZDEOOZ-ZWNOBZJWSA-N -1 1 383.416 1.306 20 0 GDADMM Cc1nocc1C(=O)N1CCC[C@@H](C)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571228844 953166963 /nfs/dbraw/zinc/16/69/63/953166963.db2.gz WJXXWWBSZDEOOZ-ZWNOBZJWSA-N -1 1 383.416 1.306 20 0 GDADMM O=C(N[C@@]12CCC[C@H]1N(c1nccnc1-c1nnn[n-]1)CC2)c1ccsn1 ZINC001571230548 953178316 /nfs/dbraw/zinc/17/83/16/953178316.db2.gz GFFKXHUHRJPZDG-BDJLRTHQSA-N -1 1 383.441 1.045 20 0 GDADMM O=C(N[C@@]12CCC[C@H]1N(c1nccnc1-c1nn[n-]n1)CC2)c1ccsn1 ZINC001571230548 953178318 /nfs/dbraw/zinc/17/83/18/953178318.db2.gz GFFKXHUHRJPZDG-BDJLRTHQSA-N -1 1 383.441 1.045 20 0 GDADMM COCC(=O)N1CC[C@@]2(CCN(c3snc(Cl)c3-c3nnn[n-]3)C2)C1 ZINC001571234759 953205096 /nfs/dbraw/zinc/20/50/96/953205096.db2.gz HXXFJOVIDOQLJA-CQSZACIVSA-N -1 1 383.865 1.052 20 0 GDADMM COCC(=O)N1CC[C@@]2(CCN(c3snc(Cl)c3-c3nn[n-]n3)C2)C1 ZINC001571234759 953205098 /nfs/dbraw/zinc/20/50/98/953205098.db2.gz HXXFJOVIDOQLJA-CQSZACIVSA-N -1 1 383.865 1.052 20 0 GDADMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC001571235385 953212150 /nfs/dbraw/zinc/21/21/50/953212150.db2.gz CAMRVCOYHZSACX-NSHDSACASA-N -1 1 384.375 1.220 20 0 GDADMM Cc1csc(C(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)[C@H](C)C2)c1 ZINC001571245076 953269731 /nfs/dbraw/zinc/26/97/31/953269731.db2.gz NLFXKGSXIWYSOG-NEPJUHHUSA-N -1 1 384.469 1.989 20 0 GDADMM Cc1csc(C(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)[C@H](C)C2)c1 ZINC001571245076 953269734 /nfs/dbraw/zinc/26/97/34/953269734.db2.gz NLFXKGSXIWYSOG-NEPJUHHUSA-N -1 1 384.469 1.989 20 0 GDADMM Cc1cscc1C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571245036 953270066 /nfs/dbraw/zinc/27/00/66/953270066.db2.gz MLMVUUQKUWMFPL-GFCCVEGCSA-N -1 1 384.469 1.816 20 0 GDADMM Cc1cscc1C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571245036 953270069 /nfs/dbraw/zinc/27/00/69/953270069.db2.gz MLMVUUQKUWMFPL-GFCCVEGCSA-N -1 1 384.469 1.816 20 0 GDADMM CCc1ccsc1C(=O)N1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C[C@@H]1C ZINC001571245085 953270165 /nfs/dbraw/zinc/27/01/65/953270165.db2.gz NMVODGRBGJKIHG-JQWIXIFHSA-N -1 1 384.469 1.996 20 0 GDADMM CCc1ccsc1C(=O)N1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C[C@@H]1C ZINC001571245085 953270167 /nfs/dbraw/zinc/27/01/67/953270167.db2.gz NMVODGRBGJKIHG-JQWIXIFHSA-N -1 1 384.469 1.996 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)CC1)c1ccsc1 ZINC001571248253 953291542 /nfs/dbraw/zinc/29/15/42/953291542.db2.gz OPJQWTJFFTXWDC-AULYBMBSSA-N -1 1 384.469 1.541 20 0 GDADMM Cc1sccc1CC(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571248376 953292304 /nfs/dbraw/zinc/29/23/04/953292304.db2.gz RWYXOTKGOLVCIF-ZDUSSCGKSA-N -1 1 384.469 1.094 20 0 GDADMM Cc1scc(C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1C ZINC001571248438 953293542 /nfs/dbraw/zinc/29/35/42/953293542.db2.gz UAOMNITZYWQBIW-YMTOWFKASA-N -1 1 384.469 1.908 20 0 GDADMM Cc1scc(C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1C ZINC001571248438 953293544 /nfs/dbraw/zinc/29/35/44/953293544.db2.gz UAOMNITZYWQBIW-YMTOWFKASA-N -1 1 384.469 1.908 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CC[C@H](NC(=O)C3=COCCC3)C2)n1 ZINC001571248518 953294281 /nfs/dbraw/zinc/29/42/81/953294281.db2.gz FEKSOYDRETUGPN-OCCSQVGLSA-N -1 1 384.444 1.356 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CC[C@H](NC(=O)C3=COCCC3)C2)n1 ZINC001571248518 953294284 /nfs/dbraw/zinc/29/42/84/953294284.db2.gz FEKSOYDRETUGPN-OCCSQVGLSA-N -1 1 384.444 1.356 20 0 GDADMM Cc1nsc(N2C[C@@H]3C[C@H]2CN3C(=O)CCn2cccc2)c1-c1nn[n-]n1 ZINC001571248700 953296068 /nfs/dbraw/zinc/29/60/68/953296068.db2.gz XZEAQMHPRORHCK-STQMWFEESA-N -1 1 384.469 1.313 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)N1CCC(CCNc2nccnc2-c2nnn[n-]2)CC1 ZINC001571248991 953299541 /nfs/dbraw/zinc/29/95/41/953299541.db2.gz AGJHWFVFPQXCIJ-LSDHHAIUSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)N1CCC(CCNc2nccnc2-c2nn[n-]n2)CC1 ZINC001571248991 953299544 /nfs/dbraw/zinc/29/95/44/953299544.db2.gz AGJHWFVFPQXCIJ-LSDHHAIUSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H]1CN(C(=O)CC2CCCCCC2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571249079 953300288 /nfs/dbraw/zinc/30/02/88/953300288.db2.gz CPNBDTLOLNGVMJ-ZFWWWQNUSA-N -1 1 384.488 1.698 20 0 GDADMM CC1(C)CCC[C@H]1C(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571249167 953301418 /nfs/dbraw/zinc/30/14/18/953301418.db2.gz FDVNQMVHYJVOBI-KGLIPLIRSA-N -1 1 384.488 1.698 20 0 GDADMM CC(C)[C@]1(C)C[C@H]1C(=O)N(C)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571249265 953302910 /nfs/dbraw/zinc/30/29/10/953302910.db2.gz GYZIBBAEEJHAPC-LIRRHRJNSA-N -1 1 384.488 1.766 20 0 GDADMM CC(C)(C)C(=O)N1CCCC[C@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571249728 953307167 /nfs/dbraw/zinc/30/71/67/953307167.db2.gz LAMJZSCAHUAYIS-LJQANCHMSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)(C)C(=O)N1CCCC[C@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571249728 953307172 /nfs/dbraw/zinc/30/71/72/953307172.db2.gz LAMJZSCAHUAYIS-LJQANCHMSA-N -1 1 384.488 1.912 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571250227 953309125 /nfs/dbraw/zinc/30/91/25/953309125.db2.gz OPTADHBSTYUOOU-LBPRGKRZSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571250227 953309130 /nfs/dbraw/zinc/30/91/30/953309130.db2.gz OPTADHBSTYUOOU-LBPRGKRZSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)CC[C@H](C(=O)NC2(C)CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001571250252 953309269 /nfs/dbraw/zinc/30/92/69/953309269.db2.gz PDKBHLOUQITVLM-ZDUSSCGKSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CC[C@H](C(=O)NC2(C)CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001571250252 953309271 /nfs/dbraw/zinc/30/92/71/953309271.db2.gz PDKBHLOUQITVLM-ZDUSSCGKSA-N -1 1 384.488 1.958 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C2CCN(C(=O)[C@H]3C[C@H]3C(C)C)CC2)n1 ZINC001571252268 953325840 /nfs/dbraw/zinc/32/58/40/953325840.db2.gz JFPCPNCPHZFYKH-GJZGRUSLSA-N -1 1 384.488 1.684 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C2CCN(C(=O)[C@H]3C[C@H]3C(C)C)CC2)n1 ZINC001571252268 953325843 /nfs/dbraw/zinc/32/58/43/953325843.db2.gz JFPCPNCPHZFYKH-GJZGRUSLSA-N -1 1 384.488 1.684 20 0 GDADMM CN(C[C@H]1CCN(C(=O)CC2CC(C)(C)C2)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571252286 953326602 /nfs/dbraw/zinc/32/66/02/953326602.db2.gz JSZZLTIDFQPQIF-CYBMUJFWSA-N -1 1 384.488 1.768 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H](NC(=O)CC3CCC3)C(C)(C)C2)n1 ZINC001571252338 953327279 /nfs/dbraw/zinc/32/72/79/953327279.db2.gz LJHPLJGHUKLMRE-CQSZACIVSA-N -1 1 384.488 1.740 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H](NC(=O)CC3CCC3)C(C)(C)C2)n1 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CN1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1=O ZINC000276165023 532321396 /nfs/dbraw/zinc/32/13/96/532321396.db2.gz BSUPTOIQMHFLLZ-VIFPVBQESA-N -1 1 385.642 1.751 20 0 GDADMM CC(C)OCc1nc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)cnc2N)no1 ZINC000289513051 532326478 /nfs/dbraw/zinc/32/64/78/532326478.db2.gz LVOUMQNRNCXWBW-QMMMGPOBSA-N -1 1 375.838 1.665 20 0 GDADMM NC(=O)[C@@H](c1ccc(Br)cc1F)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000289584035 532328627 /nfs/dbraw/zinc/32/86/27/532328627.db2.gz ZFTQWBGMYIXCRM-PRHODGIISA-N -1 1 398.236 1.406 20 0 GDADMM Cc1nnc(CC[N-]S(=O)(=O)c2nc(C)n(C)c2Br)s1 ZINC000289929976 532334190 /nfs/dbraw/zinc/33/41/90/532334190.db2.gz RGVHQSZGCGNUCW-UHFFFAOYSA-N -1 1 380.293 1.172 20 0 GDADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-n3cnnn3)c2C)cc1 ZINC000016100906 221356944 /nfs/dbraw/zinc/35/69/44/221356944.db2.gz SOMYHJCLLKAGSU-UHFFFAOYSA-N -1 1 387.421 1.948 20 0 GDADMM CCOC(=O)CCCOC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000736591365 598842171 /nfs/dbraw/zinc/84/21/71/598842171.db2.gz BDSPLORXEDOZKZ-UHFFFAOYSA-N -1 1 377.401 1.403 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCO[C@H](C(F)(F)F)C1 ZINC000738353061 598877531 /nfs/dbraw/zinc/87/75/31/598877531.db2.gz CHCKQRPMBGKKIW-VIFPVBQESA-N -1 1 397.766 1.472 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCO[C@H](C(F)(F)F)C1 ZINC000738353061 598877533 /nfs/dbraw/zinc/87/75/33/598877533.db2.gz CHCKQRPMBGKKIW-VIFPVBQESA-N -1 1 397.766 1.472 20 0 GDADMM CC(=O)NCCCNC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000735475498 598888596 /nfs/dbraw/zinc/88/85/96/598888596.db2.gz WKBSGZLIUBKWLV-UHFFFAOYSA-N -1 1 399.480 1.921 20 0 GDADMM CNC(=O)CCN(C)C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000736870274 598906894 /nfs/dbraw/zinc/90/68/94/598906894.db2.gz GQKKZOFIBDICGS-UHFFFAOYSA-N -1 1 399.480 1.873 20 0 GDADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1cccc(-n2cc[nH]c2=O)c1 ZINC000737301447 598930098 /nfs/dbraw/zinc/93/00/98/598930098.db2.gz NXVJXTZGCLPOIB-UHFFFAOYSA-N -1 1 397.420 1.867 20 0 GDADMM NC(=O)[C@H](CNc1c2ccccc2nnc1-c1nnn[n-]1)Cc1ccc(F)cc1 ZINC000737729656 598937084 /nfs/dbraw/zinc/93/70/84/598937084.db2.gz AHOKWTFAWXDDAE-LBPRGKRZSA-N -1 1 392.398 1.705 20 0 GDADMM NC(=O)[C@H](CNc1c2ccccc2nnc1-c1nn[n-]n1)Cc1ccc(F)cc1 ZINC000737729656 598937087 /nfs/dbraw/zinc/93/70/87/598937087.db2.gz AHOKWTFAWXDDAE-LBPRGKRZSA-N -1 1 392.398 1.705 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)NC[C@H](C)C[C@H](C)O)c1-c1nn[n-]n1 ZINC000737189809 598952056 /nfs/dbraw/zinc/95/20/56/598952056.db2.gz QPSUMLVBFCCWRS-ZJUUUORDSA-N -1 1 376.486 1.998 20 0 GDADMM COC(=O)[C@H]([N-]S(=O)(=O)c1cc(-c2nn[nH]n2)ccc1C)c1ccccc1 ZINC000736893681 598954028 /nfs/dbraw/zinc/95/40/28/598954028.db2.gz ATFGHPBXQITHSH-OAHLLOKOSA-N -1 1 387.421 1.368 20 0 GDADMM O=S(=O)(CCNc1c2ccccc2nnc1-c1nnn[n-]1)c1ccccc1 ZINC000738330457 598962357 /nfs/dbraw/zinc/96/23/57/598962357.db2.gz ONKPBYQQSSMPMK-UHFFFAOYSA-N -1 1 381.421 1.696 20 0 GDADMM O=S(=O)(CCNc1c2ccccc2nnc1-c1nn[n-]n1)c1ccccc1 ZINC000738330457 598962358 /nfs/dbraw/zinc/96/23/58/598962358.db2.gz ONKPBYQQSSMPMK-UHFFFAOYSA-N -1 1 381.421 1.696 20 0 GDADMM Cc1cc(C)n(C[C@@H]2CN(c3c4ccccc4nnc3-c3nnn[n-]3)CCO2)n1 ZINC000737255361 598967311 /nfs/dbraw/zinc/96/73/11/598967311.db2.gz IAELZAGIKJKFKI-AWEZNQCLSA-N -1 1 391.439 1.529 20 0 GDADMM Cc1cc(C)n(C[C@@H]2CN(c3c4ccccc4nnc3-c3nn[n-]n3)CCO2)n1 ZINC000737255361 598967312 /nfs/dbraw/zinc/96/73/12/598967312.db2.gz IAELZAGIKJKFKI-AWEZNQCLSA-N -1 1 391.439 1.529 20 0 GDADMM O=C(NCCNc1c2ccccc2nnc1-c1nnn[n-]1)c1c(F)cccc1F ZINC000738074159 598970043 /nfs/dbraw/zinc/97/00/43/598970043.db2.gz HHVGMWDGBRIPGJ-UHFFFAOYSA-N -1 1 396.361 1.930 20 0 GDADMM O=C(NCCNc1c2ccccc2nnc1-c1nn[n-]n1)c1c(F)cccc1F ZINC000738074159 598970046 /nfs/dbraw/zinc/97/00/46/598970046.db2.gz HHVGMWDGBRIPGJ-UHFFFAOYSA-N -1 1 396.361 1.930 20 0 GDADMM CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736512402 598982013 /nfs/dbraw/zinc/98/20/13/598982013.db2.gz YZSWWXZNMUKNOH-UHFFFAOYSA-N -1 1 387.350 1.641 20 0 GDADMM CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736512402 598982014 /nfs/dbraw/zinc/98/20/14/598982014.db2.gz YZSWWXZNMUKNOH-UHFFFAOYSA-N -1 1 387.350 1.641 20 0 GDADMM O=C(NCc1ccc(CN2CCCC2=O)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738104451 598996428 /nfs/dbraw/zinc/99/64/28/598996428.db2.gz YKTLZQKHJRFTTD-UHFFFAOYSA-N -1 1 377.408 1.314 20 0 GDADMM O=C(NCc1ccc(CN2CCCC2=O)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738104451 598996429 /nfs/dbraw/zinc/99/64/29/598996429.db2.gz YKTLZQKHJRFTTD-UHFFFAOYSA-N -1 1 377.408 1.314 20 0 GDADMM COc1cc2c(cc1OC)CCN(C(=O)c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC000737056376 598997109 /nfs/dbraw/zinc/99/71/09/598997109.db2.gz VHSQCIWQSKUCSE-UHFFFAOYSA-N -1 1 380.408 1.520 20 0 GDADMM COc1cc2c(cc1OC)CCN(C(=O)c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC000737056376 598997110 /nfs/dbraw/zinc/99/71/10/598997110.db2.gz VHSQCIWQSKUCSE-UHFFFAOYSA-N -1 1 380.408 1.520 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000735628146 598999787 /nfs/dbraw/zinc/99/97/87/598999787.db2.gz RPANSGLZHYWPLD-LBPRGKRZSA-N -1 1 387.444 1.639 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000735628146 598999789 /nfs/dbraw/zinc/99/97/89/598999789.db2.gz RPANSGLZHYWPLD-LBPRGKRZSA-N -1 1 387.444 1.639 20 0 GDADMM O=C(Nc1ccccc1)NC1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000738191444 599025750 /nfs/dbraw/zinc/02/57/50/599025750.db2.gz LCKBDUWUSJCXNF-UHFFFAOYSA-N -1 1 392.423 1.688 20 0 GDADMM O=C(Nc1ccccc1)NC1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000738191444 599025751 /nfs/dbraw/zinc/02/57/51/599025751.db2.gz LCKBDUWUSJCXNF-UHFFFAOYSA-N -1 1 392.423 1.688 20 0 GDADMM O=C(c1cc2occc2s1)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000738253285 599049688 /nfs/dbraw/zinc/04/96/88/599049688.db2.gz CISQEACGUFEWNK-UHFFFAOYSA-N -1 1 382.409 1.427 20 0 GDADMM O=C(c1cc2occc2s1)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000738253285 599049691 /nfs/dbraw/zinc/04/96/91/599049691.db2.gz CISQEACGUFEWNK-UHFFFAOYSA-N -1 1 382.409 1.427 20 0 GDADMM CCO[C@@H](C)c1noc(CN(C)c2c3ccccc3nnc2-c2nnn[n-]2)n1 ZINC000821346314 599071967 /nfs/dbraw/zinc/07/19/67/599071967.db2.gz GRAKIZCZZUXTJI-JTQLQIEISA-N -1 1 381.400 1.927 20 0 GDADMM CCO[C@@H](C)c1noc(CN(C)c2c3ccccc3nnc2-c2nn[n-]n2)n1 ZINC000821346314 599071970 /nfs/dbraw/zinc/07/19/70/599071970.db2.gz GRAKIZCZZUXTJI-JTQLQIEISA-N -1 1 381.400 1.927 20 0 GDADMM COC[C@H]1CN(C(=O)c2cc(C3CC3)nc(SC)c2-c2nn[n-]n2)CCO1 ZINC000736976853 599105067 /nfs/dbraw/zinc/10/50/67/599105067.db2.gz QSGMQHFVMLWWRH-LLVKDONJSA-N -1 1 390.469 1.348 20 0 GDADMM Cc1cc(N2CCC[C@@H](Nc3snc(Cl)c3-c3nnn[n-]3)C2=O)n(C)n1 ZINC000822207291 599108656 /nfs/dbraw/zinc/10/86/56/599108656.db2.gz QPLFOMNKXCDUEU-MRVPVSSYSA-N -1 1 393.864 1.626 20 0 GDADMM Cc1cc(N2CCC[C@@H](Nc3snc(Cl)c3-c3nn[n-]n3)C2=O)n(C)n1 ZINC000822207291 599108657 /nfs/dbraw/zinc/10/86/57/599108657.db2.gz QPLFOMNKXCDUEU-MRVPVSSYSA-N -1 1 393.864 1.626 20 0 GDADMM CCOC(=O)c1cccnc1SCc1cc(=O)n2ncc(-c3nn[n-]n3)c2[nH]1 ZINC000821343486 599127434 /nfs/dbraw/zinc/12/74/34/599127434.db2.gz OMDBISOWKZAFDF-UHFFFAOYSA-N -1 1 398.408 1.479 20 0 GDADMM CC(C)CN(CC(F)(F)F)C(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735827068 599131839 /nfs/dbraw/zinc/13/18/39/599131839.db2.gz CMKKWMCJQTYDDZ-UHFFFAOYSA-N -1 1 386.334 1.465 20 0 GDADMM CC(C)CN(CC(F)(F)F)C(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735827068 599131841 /nfs/dbraw/zinc/13/18/41/599131841.db2.gz CMKKWMCJQTYDDZ-UHFFFAOYSA-N -1 1 386.334 1.465 20 0 GDADMM COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)c1C ZINC000736941765 599131858 /nfs/dbraw/zinc/13/18/58/599131858.db2.gz ULFHJKYBSPQZKV-SNVBAGLBSA-N -1 1 398.379 1.421 20 0 GDADMM COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)c1C ZINC000736941765 599131860 /nfs/dbraw/zinc/13/18/60/599131860.db2.gz ULFHJKYBSPQZKV-SNVBAGLBSA-N -1 1 398.379 1.421 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)Nc1cccc2nsnc21 ZINC000737908943 599132844 /nfs/dbraw/zinc/13/28/44/599132844.db2.gz MWPPWHYNJPVZLM-UHFFFAOYSA-N -1 1 382.365 1.062 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)Nc1cccc2nsnc21 ZINC000737908943 599132845 /nfs/dbraw/zinc/13/28/45/599132845.db2.gz MWPPWHYNJPVZLM-UHFFFAOYSA-N -1 1 382.365 1.062 20 0 GDADMM Cc1nn(-c2ccccc2)c(CSc2nnc(CO)n2C)c1-c1nn[n-]n1 ZINC000822486992 607259041 /nfs/dbraw/zinc/25/90/41/607259041.db2.gz WOYJFXBHSVTCCM-UHFFFAOYSA-N -1 1 383.441 1.274 20 0 GDADMM C[C@H](NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1Cl ZINC000736104257 599136015 /nfs/dbraw/zinc/13/60/15/599136015.db2.gz GBQNXZQWFRGBMI-JTQLQIEISA-N -1 1 386.799 1.949 20 0 GDADMM C[C@H](NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1Cl ZINC000736104257 599136016 /nfs/dbraw/zinc/13/60/16/599136016.db2.gz GBQNXZQWFRGBMI-JTQLQIEISA-N -1 1 386.799 1.949 20 0 GDADMM CC(C)[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)NCc1ccccc1F ZINC000735732855 599135807 /nfs/dbraw/zinc/13/58/07/599135807.db2.gz BZWDQPHWSXWPMC-INIZCTEOSA-N -1 1 398.398 1.899 20 0 GDADMM CC(C)[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)NCc1ccccc1F ZINC000735732855 599135810 /nfs/dbraw/zinc/13/58/10/599135810.db2.gz BZWDQPHWSXWPMC-INIZCTEOSA-N -1 1 398.398 1.899 20 0 GDADMM O=C(Oc1ccc(O[C@H]2CCCCNC2=O)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738247969 599154844 /nfs/dbraw/zinc/15/48/44/599154844.db2.gz UQESPDCDPKMDPO-INIZCTEOSA-N -1 1 394.391 1.528 20 0 GDADMM O=C(Oc1ccc(O[C@H]2CCCCNC2=O)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738247969 599154847 /nfs/dbraw/zinc/15/48/47/599154847.db2.gz UQESPDCDPKMDPO-INIZCTEOSA-N -1 1 394.391 1.528 20 0 GDADMM Cc1nc(C)c(-c2nn[n-]n2)c(S[C@@H]2CCCN(c3ccn(C)n3)C2=O)n1 ZINC000737470311 599162055 /nfs/dbraw/zinc/16/20/55/599162055.db2.gz HIOKEXZSTPJAKW-LLVKDONJSA-N -1 1 385.457 1.295 20 0 GDADMM C[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N1CCC(C(=O)[O-])CC1 ZINC000738625969 596923868 /nfs/dbraw/zinc/92/38/68/596923868.db2.gz RTCWVKCWIPUJKJ-SECBINFHSA-N -1 1 387.358 1.344 20 0 GDADMM CC(C)(C)OC(=O)N1CC2(C1)CC(=O)N(CN1CCC[C@@H](CC(=O)[O-])C1)C2 ZINC000817808248 597041508 /nfs/dbraw/zinc/04/15/08/597041508.db2.gz PVGSJJRKQTYQFO-AWEZNQCLSA-N -1 1 381.473 1.600 20 0 GDADMM CN1CCN(c2ccc(CNC(=O)N3CCC[C@H](CC(=O)[O-])C3)cn2)CC1 ZINC000818482402 597056754 /nfs/dbraw/zinc/05/67/54/597056754.db2.gz TUVUNKZYQSGIBE-OAHLLOKOSA-N -1 1 375.473 1.230 20 0 GDADMM Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2CCC[C@@H](CC(=O)[O-])C2)c1C ZINC000818853261 597073814 /nfs/dbraw/zinc/07/38/14/597073814.db2.gz VRYUASJJLOAUII-ZDUSSCGKSA-N -1 1 383.470 1.076 20 0 GDADMM O=C([O-])CSCC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000613411830 597081588 /nfs/dbraw/zinc/08/15/88/597081588.db2.gz RPEQSMFWPCSMJH-UHFFFAOYSA-N -1 1 382.423 1.034 20 0 GDADMM CN1CCN(Cc2cccc(C(=O)N[C@H](Cc3ccccc3)C(=O)[O-])c2)CC1 ZINC000194929863 597172925 /nfs/dbraw/zinc/17/29/25/597172925.db2.gz AWJANUAOXZOPNW-HXUWFJFHSA-N -1 1 381.476 1.860 20 0 GDADMM O=C([O-])Cc1cccc(NC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000738625372 597187310 /nfs/dbraw/zinc/18/73/10/597187310.db2.gz ZETXJHVWBJSHHH-LJQANCHMSA-N -1 1 383.448 1.854 20 0 GDADMM CN1CCN(c2cc(CNC(=O)Nc3cccc(CC(=O)[O-])c3)ccn2)CC1 ZINC000738019849 597190593 /nfs/dbraw/zinc/19/05/93/597190593.db2.gz AXRSUXODFFMIAT-UHFFFAOYSA-N -1 1 383.452 1.782 20 0 GDADMM CCn1nc(C)c(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)c1C ZINC000736732424 599249491 /nfs/dbraw/zinc/24/94/91/599249491.db2.gz WCQTVNAKKIZWKP-UHFFFAOYSA-N -1 1 384.444 1.989 20 0 GDADMM CCS(=O)(=O)c1ccc(Cl)c(C(=O)N=c2cc[nH]cc2-c2nn[n-]n2)c1 ZINC000736665190 599249936 /nfs/dbraw/zinc/24/99/36/599249936.db2.gz QKNAOQUQDVBTKL-UHFFFAOYSA-N -1 1 392.828 1.383 20 0 GDADMM CCN1CCN(c2ccc(Cl)cc2NC(=O)C(=O)N[C@@H](C)C(=O)[O-])CC1 ZINC000818207907 597519697 /nfs/dbraw/zinc/51/96/97/597519697.db2.gz SPXKHNBCANDDPA-NSHDSACASA-N -1 1 382.848 1.010 20 0 GDADMM Cc1oc(NC(=O)CN2CCC[C@@H](NC(=O)C(C)C)C2)c(-c2nn[n-]n2)c1C ZINC000737552391 598251892 /nfs/dbraw/zinc/25/18/92/598251892.db2.gz OQNPAHJDYDSXIR-CYBMUJFWSA-N -1 1 389.460 1.252 20 0 GDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc(OCC(F)(F)C(F)F)nc1 ZINC000737772431 598259022 /nfs/dbraw/zinc/25/90/22/598259022.db2.gz ZBQPQQFGKQPRLM-UHFFFAOYSA-N -1 1 386.269 1.008 20 0 GDADMM CN(c1ccc(Br)cn1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736842335 598266810 /nfs/dbraw/zinc/26/68/10/598266810.db2.gz OUWSROADYHTONK-UHFFFAOYSA-N -1 1 396.230 1.244 20 0 GDADMM CN(c1ccc(Br)cn1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736842335 598266811 /nfs/dbraw/zinc/26/68/11/598266811.db2.gz OUWSROADYHTONK-UHFFFAOYSA-N -1 1 396.230 1.244 20 0 GDADMM CC(C)c1nc(C2(NCc3cnc4c(-c5nnn[n-]5)cnn4c3)CCCC2)no1 ZINC000735939572 598274874 /nfs/dbraw/zinc/27/48/74/598274874.db2.gz KVBZFUDJWSDGOL-UHFFFAOYSA-N -1 1 394.443 1.975 20 0 GDADMM CC(C)c1nc(C2(NCc3cnc4c(-c5nn[n-]n5)cnn4c3)CCCC2)no1 ZINC000735939572 598274876 /nfs/dbraw/zinc/27/48/76/598274876.db2.gz KVBZFUDJWSDGOL-UHFFFAOYSA-N -1 1 394.443 1.975 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)O[C@H](C)C(=O)NC(C)(C)C ZINC000737199526 598307295 /nfs/dbraw/zinc/30/72/95/598307295.db2.gz HOKKPWHCGUWTLN-LLVKDONJSA-N -1 1 390.444 1.363 20 0 GDADMM Fc1c(F)c(F)c(N2CCN(c3nccnc3-c3nnn[n-]3)CC2)c(F)c1F ZINC000737638895 598338161 /nfs/dbraw/zinc/33/81/61/598338161.db2.gz JPVCIURFMVLZQM-UHFFFAOYSA-N -1 1 398.299 1.679 20 0 GDADMM Fc1c(F)c(F)c(N2CCN(c3nccnc3-c3nn[n-]n3)CC2)c(F)c1F ZINC000737638895 598338163 /nfs/dbraw/zinc/33/81/63/598338163.db2.gz JPVCIURFMVLZQM-UHFFFAOYSA-N -1 1 398.299 1.679 20 0 GDADMM O=C(Cc1c[nH]c2ccccc12)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000737955350 598345373 /nfs/dbraw/zinc/34/53/73/598345373.db2.gz ZEICJKMUCXWJQW-UHFFFAOYSA-N -1 1 389.423 1.029 20 0 GDADMM O=C(Cc1c[nH]c2ccccc12)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000737955350 598345375 /nfs/dbraw/zinc/34/53/75/598345375.db2.gz ZEICJKMUCXWJQW-UHFFFAOYSA-N -1 1 389.423 1.029 20 0 GDADMM CN(C[C@@H](O)COc1ccccc1C(F)(F)F)c1nccnc1-c1nnn[n-]1 ZINC000736792317 598346967 /nfs/dbraw/zinc/34/69/67/598346967.db2.gz DCUDXNKZWVXHOE-SNVBAGLBSA-N -1 1 395.345 1.552 20 0 GDADMM CN(C[C@@H](O)COc1ccccc1C(F)(F)F)c1nccnc1-c1nn[n-]n1 ZINC000736792317 598346969 /nfs/dbraw/zinc/34/69/69/598346969.db2.gz DCUDXNKZWVXHOE-SNVBAGLBSA-N -1 1 395.345 1.552 20 0 GDADMM Brc1cc(CNc2nccnc2-c2nnn[n-]2)cc2c1OCCO2 ZINC000735367922 598347646 /nfs/dbraw/zinc/34/76/46/598347646.db2.gz AZSDQHBAEDKDPD-UHFFFAOYSA-N -1 1 390.201 1.803 20 0 GDADMM Brc1cc(CNc2nccnc2-c2nn[n-]n2)cc2c1OCCO2 ZINC000735367922 598347648 /nfs/dbraw/zinc/34/76/48/598347648.db2.gz AZSDQHBAEDKDPD-UHFFFAOYSA-N -1 1 390.201 1.803 20 0 GDADMM COC(=O)c1ccc(N2CCN(c3nccnc3-c3nnn[n-]3)[C@@H](C)C2)cc1 ZINC000736947026 598351704 /nfs/dbraw/zinc/35/17/04/598351704.db2.gz AREUHBFOOJXQTI-LBPRGKRZSA-N -1 1 380.412 1.158 20 0 GDADMM COC(=O)c1ccc(N2CCN(c3nccnc3-c3nn[n-]n3)[C@@H](C)C2)cc1 ZINC000736947026 598351707 /nfs/dbraw/zinc/35/17/07/598351707.db2.gz AREUHBFOOJXQTI-LBPRGKRZSA-N -1 1 380.412 1.158 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1ccc(CCO)cc1 ZINC000737201892 598359265 /nfs/dbraw/zinc/35/92/65/598359265.db2.gz XJQBJRWVXDRLMX-UHFFFAOYSA-N -1 1 382.424 1.690 20 0 GDADMM COc1ccsc1C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000737160072 598371842 /nfs/dbraw/zinc/37/18/42/598371842.db2.gz RHALBQHNYKKGRT-UHFFFAOYSA-N -1 1 377.382 1.942 20 0 GDADMM CCc1nn(C[C@H](O)COc2ccc(F)cc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705576 598373992 /nfs/dbraw/zinc/37/39/92/598373992.db2.gz KRHCZRHRJHSYCB-LBPRGKRZSA-N -1 1 388.403 1.127 20 0 GDADMM CCc1nn(C[C@H](O)c2c(F)cccc2F)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706087 598374231 /nfs/dbraw/zinc/37/42/31/598374231.db2.gz SVRZWMCQMNLNQF-ZDUSSCGKSA-N -1 1 376.367 1.560 20 0 GDADMM CCc1nn(CCC(=O)Nc2cccc(F)c2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705635 598374294 /nfs/dbraw/zinc/37/42/94/598374294.db2.gz MAUQFUXCROERFV-UHFFFAOYSA-N -1 1 385.403 1.716 20 0 GDADMM CN(CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1)CC(F)(F)F ZINC000736788673 598383254 /nfs/dbraw/zinc/38/32/54/598383254.db2.gz WBJHXLLRAXSIFG-UHFFFAOYSA-N -1 1 380.334 1.485 20 0 GDADMM CN(CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1)CC(F)(F)F ZINC000736788673 598383256 /nfs/dbraw/zinc/38/32/56/598383256.db2.gz WBJHXLLRAXSIFG-UHFFFAOYSA-N -1 1 380.334 1.485 20 0 GDADMM CN1C[C@H](NC(=O)c2ccc(Oc3cccc(F)c3-c3nnn[n-]3)cc2)CC1=O ZINC000736846523 598401996 /nfs/dbraw/zinc/40/19/96/598401996.db2.gz RENMDLOXDRTMAC-GFCCVEGCSA-N -1 1 396.382 1.759 20 0 GDADMM CN1C[C@H](NC(=O)c2ccc(Oc3cccc(F)c3-c3nn[n-]n3)cc2)CC1=O ZINC000736846523 598401999 /nfs/dbraw/zinc/40/19/99/598401999.db2.gz RENMDLOXDRTMAC-GFCCVEGCSA-N -1 1 396.382 1.759 20 0 GDADMM CC(C)CCC(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000735797668 598407477 /nfs/dbraw/zinc/40/74/77/598407477.db2.gz RDDZDFJCWIGBQP-UHFFFAOYSA-N -1 1 383.412 1.970 20 0 GDADMM CC(C)CCC(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000735797668 598407480 /nfs/dbraw/zinc/40/74/80/598407480.db2.gz RDDZDFJCWIGBQP-UHFFFAOYSA-N -1 1 383.412 1.970 20 0 GDADMM COCCCCC(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000736977736 598409734 /nfs/dbraw/zinc/40/97/34/598409734.db2.gz BUICKZIYVMJJRU-UHFFFAOYSA-N -1 1 399.411 1.351 20 0 GDADMM COCCCCC(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736977736 598409735 /nfs/dbraw/zinc/40/97/35/598409735.db2.gz BUICKZIYVMJJRU-UHFFFAOYSA-N -1 1 399.411 1.351 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC[C@H](CCC(N)=O)C1 ZINC000737548752 598420097 /nfs/dbraw/zinc/42/00/97/598420097.db2.gz RBVCDLBOLWFLFB-CYBMUJFWSA-N -1 1 397.439 1.677 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC[C@H](CCC(N)=O)C1 ZINC000737548752 598420099 /nfs/dbraw/zinc/42/00/99/598420099.db2.gz RBVCDLBOLWFLFB-CYBMUJFWSA-N -1 1 397.439 1.677 20 0 GDADMM Cc1ccccc1S(=O)(=O)[N-]c1ccccc1-n1ncc(-c2nn[nH]n2)c1N ZINC000737432303 598450711 /nfs/dbraw/zinc/45/07/11/598450711.db2.gz UNZVEKSIPHIMTR-UHFFFAOYSA-N -1 1 396.436 1.744 20 0 GDADMM O=S(=O)([N-]c1ccc2c(c1)OC(F)(F)O2)c1cccc(-c2nn[nH]n2)c1 ZINC000738343364 598514008 /nfs/dbraw/zinc/51/40/08/598514008.db2.gz XSALKACWIBJYKM-UHFFFAOYSA-N -1 1 381.320 1.989 20 0 GDADMM CCN(CC)C(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000736529365 598515646 /nfs/dbraw/zinc/51/56/46/598515646.db2.gz JIRGPJLENISHDM-UHFFFAOYSA-N -1 1 386.416 1.699 20 0 GDADMM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)c1nc(C2CC2)no1 ZINC000735733681 598525379 /nfs/dbraw/zinc/52/53/79/598525379.db2.gz ISVFLHVPSHYUNC-CYBMUJFWSA-N -1 1 389.441 1.803 20 0 GDADMM O=S(=O)(N[C@H]1CCOc2ccc(F)cc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344128 598597451 /nfs/dbraw/zinc/59/74/51/598597451.db2.gz VKOGBMUVHDYRSE-LBPRGKRZSA-N -1 1 376.373 1.203 20 0 GDADMM O=S(=O)(N[C@H]1CCOc2ccc(F)cc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000738344128 598597453 /nfs/dbraw/zinc/59/74/53/598597453.db2.gz VKOGBMUVHDYRSE-LBPRGKRZSA-N -1 1 376.373 1.203 20 0 GDADMM CCc1nn(Cc2cncc(Br)c2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736708671 598642481 /nfs/dbraw/zinc/64/24/81/598642481.db2.gz YUWXQCJRJYQFCI-UHFFFAOYSA-N -1 1 390.245 1.754 20 0 GDADMM COC(=O)Cc1ccc(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000736930871 598686992 /nfs/dbraw/zinc/68/69/92/598686992.db2.gz MZIWMXDFVKAHKH-UHFFFAOYSA-N -1 1 392.368 1.489 20 0 GDADMM COc1ccc(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1F ZINC000737095640 598690160 /nfs/dbraw/zinc/69/01/60/598690160.db2.gz LLJDJBWQQKERSU-UHFFFAOYSA-N -1 1 381.364 1.632 20 0 GDADMM Cn1ncc2c1CCC[C@H]2NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737627637 598690965 /nfs/dbraw/zinc/69/09/65/598690965.db2.gz LHYDJDUBBUWJCB-CYBMUJFWSA-N -1 1 377.405 1.095 20 0 GDADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1)c1ccccc1 ZINC000736898736 598693061 /nfs/dbraw/zinc/69/30/61/598693061.db2.gz SAIABYDKEQJWHU-AWEZNQCLSA-N -1 1 391.384 1.198 20 0 GDADMM CC[C@@H]1CN(C(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)C[C@@H](C)O1 ZINC000736411211 598696195 /nfs/dbraw/zinc/69/61/95/598696195.db2.gz PJRBKVMITSRWPK-BXUZGUMPSA-N -1 1 398.471 1.485 20 0 GDADMM CC[C@@H]1CN(C(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)C[C@@H](C)O1 ZINC000736411211 598696196 /nfs/dbraw/zinc/69/61/96/598696196.db2.gz PJRBKVMITSRWPK-BXUZGUMPSA-N -1 1 398.471 1.485 20 0 GDADMM C[C@H]1CN(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)CCO1 ZINC000736281121 598720572 /nfs/dbraw/zinc/72/05/72/598720572.db2.gz RDEHXBREQRQTBO-JTQLQIEISA-N -1 1 388.815 1.082 20 0 GDADMM c1cc(N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)nc(C2CC2)n1 ZINC000738413389 598745220 /nfs/dbraw/zinc/74/52/20/598745220.db2.gz PQAGFDHREBIGRB-UHFFFAOYSA-N -1 1 379.428 1.726 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OCC1CCOCC1 ZINC000737486101 598750796 /nfs/dbraw/zinc/75/07/96/598750796.db2.gz AOJKRTFOZIXVOZ-UHFFFAOYSA-N -1 1 385.428 1.429 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OCC1CCOCC1 ZINC000737486101 598750798 /nfs/dbraw/zinc/75/07/98/598750798.db2.gz AOJKRTFOZIXVOZ-UHFFFAOYSA-N -1 1 385.428 1.429 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC[C@H](O)c2ccccc2C)cc1-c1nn[n-]n1 ZINC000737187061 598779681 /nfs/dbraw/zinc/77/96/81/598779681.db2.gz OLHLQLXOMXYMSV-ZDUSSCGKSA-N -1 1 386.437 1.461 20 0 GDADMM O=C(C1CCSCC1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000737792471 598793329 /nfs/dbraw/zinc/79/33/29/598793329.db2.gz PBKBAFDNYNPYOO-UHFFFAOYSA-N -1 1 389.485 1.524 20 0 GDADMM Cc1cc(Oc2ncccc2-c2nn[n-]n2)ccc1NC(=O)C1(C(N)=O)CCC1 ZINC000737281413 598808884 /nfs/dbraw/zinc/80/88/84/598808884.db2.gz XXJHBIDCJJJUMT-UHFFFAOYSA-N -1 1 393.407 1.957 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@@H](C)C(=O)OC(C)C ZINC000737198971 599314669 /nfs/dbraw/zinc/31/46/69/599314669.db2.gz FEAXTEHRQSEMOL-SNVBAGLBSA-N -1 1 390.444 1.221 20 0 GDADMM C[C@@H]1CN(C)c2ccccc2N(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000820752781 599355650 /nfs/dbraw/zinc/35/56/50/599355650.db2.gz RNSFPZQCZZMXHM-GFCCVEGCSA-N -1 1 385.453 1.543 20 0 GDADMM C[C@@H]1CN(C)c2ccccc2N(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000820752781 599355651 /nfs/dbraw/zinc/35/56/51/599355651.db2.gz RNSFPZQCZZMXHM-GFCCVEGCSA-N -1 1 385.453 1.543 20 0 GDADMM C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c2cc(Cl)ccc2O1 ZINC000820769961 599371183 /nfs/dbraw/zinc/37/11/83/599371183.db2.gz YEABDJAKKBZPJO-SECBINFHSA-N -1 1 392.828 1.891 20 0 GDADMM C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c2cc(Cl)ccc2O1 ZINC000820769961 599371184 /nfs/dbraw/zinc/37/11/84/599371184.db2.gz YEABDJAKKBZPJO-SECBINFHSA-N -1 1 392.828 1.891 20 0 GDADMM Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737400986 599374855 /nfs/dbraw/zinc/37/48/55/599374855.db2.gz VSGFLLDZNLQASQ-OAHLLOKOSA-N -1 1 395.448 1.724 20 0 GDADMM Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737400986 599374858 /nfs/dbraw/zinc/37/48/58/599374858.db2.gz VSGFLLDZNLQASQ-OAHLLOKOSA-N -1 1 395.448 1.724 20 0 GDADMM COc1ccc(C(=O)N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)c(OC)c1 ZINC000737065116 599414080 /nfs/dbraw/zinc/41/40/80/599414080.db2.gz AWUKTBNNQLOSNO-UHFFFAOYSA-N -1 1 395.423 1.241 20 0 GDADMM COc1ccc(C(=O)N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)c(OC)c1 ZINC000737065116 599414081 /nfs/dbraw/zinc/41/40/81/599414081.db2.gz AWUKTBNNQLOSNO-UHFFFAOYSA-N -1 1 395.423 1.241 20 0 GDADMM Cc1nonc1Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Br)ccc21 ZINC000737548811 599463979 /nfs/dbraw/zinc/46/39/79/599463979.db2.gz WKYUZOFPGIQQIH-UHFFFAOYSA-N -1 1 388.185 1.684 20 0 GDADMM Clc1nsc(N2CCC(c3nnc4n3CCC4)CC2)c1-c1nnn[n-]1 ZINC000822591584 599483969 /nfs/dbraw/zinc/48/39/69/599483969.db2.gz WANQZHJLKXQFAC-UHFFFAOYSA-N -1 1 377.865 1.898 20 0 GDADMM Clc1nsc(N2CCC(c3nnc4n3CCC4)CC2)c1-c1nn[n-]n1 ZINC000822591584 599483972 /nfs/dbraw/zinc/48/39/72/599483972.db2.gz WANQZHJLKXQFAC-UHFFFAOYSA-N -1 1 377.865 1.898 20 0 GDADMM CC1=C(C(=O)N(C)C)[C@H](c2ccc(-c3nnn[n-]3)o2)NC(=S)N1CC(C)C ZINC000820636387 599492194 /nfs/dbraw/zinc/49/21/94/599492194.db2.gz SGJWCEITCUSQRJ-AWEZNQCLSA-N -1 1 389.485 1.709 20 0 GDADMM CC1=C(C(=O)N(C)C)[C@H](c2ccc(-c3nn[n-]n3)o2)NC(=S)N1CC(C)C ZINC000820636387 599492195 /nfs/dbraw/zinc/49/21/95/599492195.db2.gz SGJWCEITCUSQRJ-AWEZNQCLSA-N -1 1 389.485 1.709 20 0 GDADMM CCCS(=O)(=O)Nc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736498645 599573266 /nfs/dbraw/zinc/57/32/66/599573266.db2.gz VVAUHUHLPVDJFB-UHFFFAOYSA-N -1 1 387.425 1.666 20 0 GDADMM CCCS(=O)(=O)Nc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736498645 599573268 /nfs/dbraw/zinc/57/32/68/599573268.db2.gz VVAUHUHLPVDJFB-UHFFFAOYSA-N -1 1 387.425 1.666 20 0 GDADMM CSC[C@](C)(O)CNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000737179552 599578660 /nfs/dbraw/zinc/57/86/60/599578660.db2.gz LPSILEAKBAPKGY-MRXNPFEDSA-N -1 1 394.526 1.705 20 0 GDADMM CNC(=O)Cc1nc(CSc2nc(C)nc(C)c2-c2nn[n-]n2)cs1 ZINC000821633730 599697360 /nfs/dbraw/zinc/69/73/60/599697360.db2.gz AQKIRJDFAWZYQO-UHFFFAOYSA-N -1 1 376.471 1.311 20 0 GDADMM COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)NCCN2[C@H](C)CCC[C@@H]2C)c1 ZINC000737654772 599780312 /nfs/dbraw/zinc/78/03/12/599780312.db2.gz VEPMGKQGVOEJDS-BETUJISGSA-N -1 1 398.481 1.713 20 0 GDADMM CN(CCNC(=O)c1ccc(-c2nnn[n-]2)s1)S(=O)(=O)c1cccs1 ZINC000821602709 607395378 /nfs/dbraw/zinc/39/53/78/607395378.db2.gz PNJLGCKBKKOHBC-UHFFFAOYSA-N -1 1 398.495 1.040 20 0 GDADMM CN(CCNC(=O)c1ccc(-c2nn[n-]n2)s1)S(=O)(=O)c1cccs1 ZINC000821602709 607395380 /nfs/dbraw/zinc/39/53/80/607395380.db2.gz PNJLGCKBKKOHBC-UHFFFAOYSA-N -1 1 398.495 1.040 20 0 GDADMM Cc1cccc(N2CCN(CCCNC(=O)[C@H](NC(=O)[O-])C(C)C)CC2)c1 ZINC000738733413 599843481 /nfs/dbraw/zinc/84/34/81/599843481.db2.gz WMUAHHDTVKGYKE-GOSISDBHSA-N -1 1 376.501 1.916 20 0 GDADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000736653004 599855062 /nfs/dbraw/zinc/85/50/62/599855062.db2.gz SILVAAALXIFCTI-LLVKDONJSA-N -1 1 382.376 1.783 20 0 GDADMM COC(=O)c1ccc(OC)cc1NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000737699470 600006422 /nfs/dbraw/zinc/00/64/22/600006422.db2.gz CLQHMDKSESVTNC-UHFFFAOYSA-N -1 1 381.362 1.686 20 0 GDADMM Cc1oc(CN(C)C[C@H](O)Cn2c(=O)onc2-c2ccccc2)cc1C(=O)[O-] ZINC000738966492 600016335 /nfs/dbraw/zinc/01/63/35/600016335.db2.gz FUVOAIFDUUMBBH-AWEZNQCLSA-N -1 1 387.392 1.596 20 0 GDADMM Cc1onc2c1c(C(=O)[O-])nn(CN1CCN(C)C[C@H]1c1ccccc1)c2=O ZINC000738988566 600033257 /nfs/dbraw/zinc/03/32/57/600033257.db2.gz ZMONHXQWIGLDRN-AWEZNQCLSA-N -1 1 383.408 1.337 20 0 GDADMM Cc1c(NC(=O)[C@H](C)N2CCC(C(=O)[O-])CC2)c(=O)n(-c2ccccc2)n1C ZINC000738201406 600034211 /nfs/dbraw/zinc/03/42/11/600034211.db2.gz CSXAOGNECYGEJZ-AWEZNQCLSA-N -1 1 386.452 1.608 20 0 GDADMM O=C([O-])COc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccccn2)cc1 ZINC000739826858 600099658 /nfs/dbraw/zinc/09/96/58/600099658.db2.gz WYMXMOXCAGDNEY-UHFFFAOYSA-N -1 1 388.405 1.591 20 0 GDADMM CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000736483686 600137835 /nfs/dbraw/zinc/13/78/35/600137835.db2.gz LUQKYXNMNHIFQS-UONOGXRCSA-N -1 1 397.497 1.497 20 0 GDADMM COC(=O)c1cc(NC(=O)[C@@H](C)N2CCN(C3CCC3)CC2)cc(C(=O)[O-])c1 ZINC000737659318 600224505 /nfs/dbraw/zinc/22/45/05/600224505.db2.gz IFPVYOVUUXFHJP-CYBMUJFWSA-N -1 1 389.452 1.669 20 0 GDADMM O=C([O-])[C@H]1CC12CCN(CC(=O)N1CCC(NC(=O)c3ccccc3)CC1)CC2 ZINC000739380671 600297381 /nfs/dbraw/zinc/29/73/81/600297381.db2.gz DBGPKEBTUDIQLM-GOSISDBHSA-N -1 1 399.491 1.594 20 0 GDADMM Cc1[nH]nc(S(=O)(=O)Nc2cc(C[S@](C)=O)ccc2Cl)c1C(=O)[O-] ZINC000738339212 600302734 /nfs/dbraw/zinc/30/27/34/600302734.db2.gz XSYLGVYYBBKZQG-QHCPKHFHSA-N -1 1 391.858 1.749 20 0 GDADMM Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000738695434 600305371 /nfs/dbraw/zinc/30/53/71/600305371.db2.gz MMEDQRFIETWBOJ-JKSUJKDBSA-N -1 1 387.480 1.933 20 0 GDADMM CCOC(=O)[C@@]1(NS(=O)(=O)c2ccc(C(=O)[O-])o2)CCc2ccccc21 ZINC000737135974 600312531 /nfs/dbraw/zinc/31/25/31/600312531.db2.gz ZWVOIYXGLTXXHL-QGZVFWFLSA-N -1 1 379.390 1.661 20 0 GDADMM CC[C@@H]1CN(C(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)CCN1CCOC ZINC000736939540 600334172 /nfs/dbraw/zinc/33/41/72/600334172.db2.gz OOJRZPNHRQOVKE-MRXNPFEDSA-N -1 1 392.456 1.076 20 0 GDADMM COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)N2CCN3CCC[C@@H]3C2)c1OC ZINC000737871719 600344610 /nfs/dbraw/zinc/34/46/10/600344610.db2.gz MROLCZOMLKEVST-GEXIGZQTSA-N -1 1 396.465 1.270 20 0 GDADMM O=C([O-])c1ccc(NC(=O)C(=O)NCCN2CCCCC2)c(OC(F)F)c1 ZINC000739419121 600413809 /nfs/dbraw/zinc/41/38/09/600413809.db2.gz ALRUQDWVQQAKLC-UHFFFAOYSA-N -1 1 385.367 1.527 20 0 GDADMM COc1ccc([C@@H](NC(=O)CCNC(=O)c2n[nH]c3ccccc32)C(=O)[O-])cc1 ZINC000737959015 600493556 /nfs/dbraw/zinc/49/35/56/600493556.db2.gz NECFFJREGQOSFW-QGZVFWFLSA-N -1 1 396.403 1.634 20 0 GDADMM CN(C(=O)CCNC(=O)c1n[nH]c2ccccc21)c1nc(CC(=O)[O-])cs1 ZINC000737319065 600494919 /nfs/dbraw/zinc/49/49/19/600494919.db2.gz GJADIFADXBMOEG-UHFFFAOYSA-N -1 1 387.421 1.429 20 0 GDADMM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CN1CCC[C@H](Cn2cncn2)C1 ZINC000739623645 600538557 /nfs/dbraw/zinc/53/85/57/600538557.db2.gz FORLIZGLAMZPKW-YJBOKZPZSA-N -1 1 383.452 1.028 20 0 GDADMM O=C([O-])CCc1nnc(NC(=O)c2nc3ncc(Br)cn3n2)s1 ZINC000739782196 600629963 /nfs/dbraw/zinc/62/99/63/600629963.db2.gz VFILXFPXBLOFGU-UHFFFAOYSA-N -1 1 398.202 1.008 20 0 GDADMM CN(C)[C@@H](CNS(=O)(=O)c1ccc(CC(=O)[O-])cc1)Cc1ccccc1 ZINC000737358255 600645714 /nfs/dbraw/zinc/64/57/14/600645714.db2.gz JTJJRVIPVDMFIY-QGZVFWFLSA-N -1 1 376.478 1.765 20 0 GDADMM COC(=O)c1cc(NC(=O)NCC(C)(C)N2CCN(C)CC2)ccc1C(=O)[O-] ZINC000831293961 600662449 /nfs/dbraw/zinc/66/24/49/600662449.db2.gz HRJYOGHPXKQXFV-UHFFFAOYSA-N -1 1 392.456 1.319 20 0 GDADMM NC(=O)C1CCN(c2ccccc2NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC000299557422 600678634 /nfs/dbraw/zinc/67/86/34/600678634.db2.gz FGFWCULRQUULNP-UHFFFAOYSA-N -1 1 392.437 1.215 20 0 GDADMM Cc1nn(-c2ccc(C(=O)N(C)Cc3nnc[nH]3)cc2)c(C)c1CCC(=O)[O-] ZINC000738896655 600681012 /nfs/dbraw/zinc/68/10/12/600681012.db2.gz SZERMICTSLALSF-UHFFFAOYSA-N -1 1 382.424 1.897 20 0 GDADMM COC(=O)c1cccc(S(=O)(=O)Nc2ccc(C(=O)OC)c(C(=O)[O-])c2)c1 ZINC000831457339 600688829 /nfs/dbraw/zinc/68/88/29/600688829.db2.gz DNCWIBYWGNQLEZ-UHFFFAOYSA-N -1 1 393.373 1.759 20 0 GDADMM COC(=O)c1cc(NS(=O)(=O)c2c[nH]c3ncccc32)ccc1C(=O)[O-] ZINC000831328204 600689315 /nfs/dbraw/zinc/68/93/15/600689315.db2.gz SWTZUNSSYMYVSM-UHFFFAOYSA-N -1 1 375.362 1.849 20 0 GDADMM COc1ccccc1[C@H](CNS(=O)(=O)c1c[n-]c(C(=O)[O-])c1)[NH+]1CCCC1 ZINC000738119934 600692102 /nfs/dbraw/zinc/69/21/02/600692102.db2.gz JUNASDGYHHQWGM-INIZCTEOSA-N -1 1 393.465 1.837 20 0 GDADMM O=C([O-])c1cccc(NS(=O)(=O)c2ccc(N3CCOC3=O)cc2)c1O ZINC000740226931 600694302 /nfs/dbraw/zinc/69/43/02/600694302.db2.gz FWPYRJJDKDWQLS-UHFFFAOYSA-N -1 1 378.362 1.848 20 0 GDADMM C[C@@H]1CCC[C@@H](C)C12NC(=O)N(CN(CCC(=O)[O-])C1CCOCC1)C2=O ZINC000828234323 600719543 /nfs/dbraw/zinc/71/95/43/600719543.db2.gz XQRSVSCPEMQTEG-ZIAGYGMSSA-N -1 1 381.473 1.646 20 0 GDADMM COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c1OC ZINC000831972264 600767325 /nfs/dbraw/zinc/76/73/25/600767325.db2.gz IAXWWUGYAWCVKQ-UGAQRHAQSA-N -1 1 398.481 1.563 20 0 GDADMM CCOCCN1CCN([C@H]2CCN(c3sccc3C(=O)[O-])C2=O)C[C@@H]1CC ZINC000830011531 600796011 /nfs/dbraw/zinc/79/60/11/600796011.db2.gz IIOHMHOTQYOKNF-HOCLYGCPSA-N -1 1 395.525 1.984 20 0 GDADMM O=C([O-])c1ccsc1N1CC[C@H](N2CCC[C@H](Cn3cncn3)C2)C1=O ZINC000833336586 600798453 /nfs/dbraw/zinc/79/84/53/600798453.db2.gz RSFXYEIPTMQIOJ-JSGCOSHPSA-N -1 1 375.454 1.555 20 0 GDADMM O=C([O-])[C@H]1CCN(C(=O)NCc2n[nH]c(-c3ccc(Br)cc3)n2)C1 ZINC000263211477 600812361 /nfs/dbraw/zinc/81/23/61/600812361.db2.gz IVQXWKWDISCVCC-JTQLQIEISA-N -1 1 394.229 1.850 20 0 GDADMM O=C([O-])[C@H]1CCN(C(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)C1 ZINC000263211477 600812362 /nfs/dbraw/zinc/81/23/62/600812362.db2.gz IVQXWKWDISCVCC-JTQLQIEISA-N -1 1 394.229 1.850 20 0 GDADMM CC(C)C[C@H](NC(=O)CN1CCO[C@H](c2nc(C(C)(C)C)n[nH]2)C1)C(=O)[O-] ZINC000826787351 600841508 /nfs/dbraw/zinc/84/15/08/600841508.db2.gz SCMWRAJBKDMVKN-STQMWFEESA-N -1 1 381.477 1.091 20 0 GDADMM CC(C)C[C@H](NC(=O)CN1CCO[C@H](c2nnc(C(C)(C)C)[nH]2)C1)C(=O)[O-] ZINC000826787351 600841509 /nfs/dbraw/zinc/84/15/09/600841509.db2.gz SCMWRAJBKDMVKN-STQMWFEESA-N -1 1 381.477 1.091 20 0 GDADMM O=C([O-])c1c(NC(=O)C(=O)NCCN2CCCC2)sc2c1CCCCC2 ZINC000833139600 600856486 /nfs/dbraw/zinc/85/64/86/600856486.db2.gz XTDMFUOFFHMTMN-UHFFFAOYSA-N -1 1 379.482 1.866 20 0 GDADMM CCC[C@@](C)(NC(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1)C(=O)[O-] ZINC000829193822 600867289 /nfs/dbraw/zinc/86/72/89/600867289.db2.gz JVILNZJEDSTUKH-MRXNPFEDSA-N -1 1 388.442 1.449 20 0 GDADMM COCCN1CCC[C@H]1CNC(=O)C(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC000738065703 600895815 /nfs/dbraw/zinc/89/58/15/600895815.db2.gz SHRFZTXRZUKOAE-LBPRGKRZSA-N -1 1 383.470 1.229 20 0 GDADMM Cc1ccc([C@@H](CNC(=O)CCN2CCN(c3ccccn3)CC2)C(=O)[O-])cc1 ZINC000832920369 600939547 /nfs/dbraw/zinc/93/95/47/600939547.db2.gz ASYKOYPIRGGDIK-LJQANCHMSA-N -1 1 396.491 1.887 20 0 GDADMM CN1CCN(Cc2cccc(C(=O)Nc3nnc(CCC(=O)[O-])s3)c2)CC1 ZINC000830955017 600962897 /nfs/dbraw/zinc/96/28/97/600962897.db2.gz WVSKFXPWPZHCFK-UHFFFAOYSA-N -1 1 389.481 1.555 20 0 GDADMM C[C@H](NC(=O)CNC(=O)CN1CCCC[C@@H]1CC(=O)[O-])c1ccc(F)cc1 ZINC000650505971 600989212 /nfs/dbraw/zinc/98/92/12/600989212.db2.gz XSDBPFSSLANMPC-XJKSGUPXSA-N -1 1 379.432 1.448 20 0 GDADMM CCCc1nnc([C@@H]2CN(CC(=O)NC3(C(=O)[O-])CCCCC3)CCO2)[nH]1 ZINC000829570131 601027585 /nfs/dbraw/zinc/02/75/85/601027585.db2.gz BGPNRDCGAGVFLQ-ZDUSSCGKSA-N -1 1 379.461 1.034 20 0 GDADMM CCCc1n[nH]c([C@@H]2CN(CC(=O)NC3(C(=O)[O-])CCCCC3)CCO2)n1 ZINC000829570131 601027588 /nfs/dbraw/zinc/02/75/88/601027588.db2.gz BGPNRDCGAGVFLQ-ZDUSSCGKSA-N -1 1 379.461 1.034 20 0 GDADMM CC(=O)c1ccc(N2CCN(C(=O)CN[C@@](C)(C(=O)[O-])C3CC3)CC2)c(F)c1 ZINC000825951952 601030424 /nfs/dbraw/zinc/03/04/24/601030424.db2.gz SMSCISDORKMJNE-HXUWFJFHSA-N -1 1 391.443 1.520 20 0 GDADMM COC(=O)c1sc(NC(=O)CCN(C)Cc2nnc[nH]2)c(C(=O)[O-])c1C ZINC000831475261 601040767 /nfs/dbraw/zinc/04/07/67/601040767.db2.gz IZXDTDCUMXJWOM-UHFFFAOYSA-N -1 1 381.414 1.120 20 0 GDADMM COC(=O)c1cc(NC(=O)CN2CCC3(C2)CCOCC3)cc(C(=O)[O-])c1 ZINC000831270218 601051079 /nfs/dbraw/zinc/05/10/79/601051079.db2.gz UOBLDMJABQUZHL-UHFFFAOYSA-N -1 1 376.409 1.612 20 0 GDADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC000556145875 601083939 /nfs/dbraw/zinc/08/39/39/601083939.db2.gz UQVTUJBSAXFUCJ-GFCCVEGCSA-N -1 1 388.424 1.164 20 0 GDADMM COc1cc(C(=O)[O-])cc(NC(=O)NCC(C)(C)N2CCN(C)CC2)c1OC ZINC000831904444 601084125 /nfs/dbraw/zinc/08/41/25/601084125.db2.gz XAVJKSBHVWWWOC-UHFFFAOYSA-N -1 1 394.472 1.550 20 0 GDADMM COc1ccc(C(=O)NCCCC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1 ZINC000832174604 601085383 /nfs/dbraw/zinc/08/53/83/601085383.db2.gz AWADNUALNNHSGR-HNNXBMFYSA-N -1 1 391.468 1.213 20 0 GDADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cc(C3CC3)nc3c2c(=O)[nH]n3C)CC1 ZINC000827375289 601095266 /nfs/dbraw/zinc/09/52/66/601095266.db2.gz SVNZMAMYAMQHPL-LLVKDONJSA-N -1 1 387.440 1.172 20 0 GDADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)CNC(=O)Cc2cccc3ccccc32)CC1 ZINC000630222101 601096084 /nfs/dbraw/zinc/09/60/84/601096084.db2.gz CWVWTKGCLYMTGU-INIZCTEOSA-N -1 1 397.475 1.506 20 0 GDADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)[C@H]2CCCCN2C(=O)c2ccccc2)CC1 ZINC000827356088 601098247 /nfs/dbraw/zinc/09/82/47/601098247.db2.gz OPVAGDYXTWIPIQ-FUHWJXTLSA-N -1 1 387.480 1.689 20 0 GDADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)COCc2nc3ccccc3s2)CC1 ZINC000827362566 601104430 /nfs/dbraw/zinc/10/44/30/601104430.db2.gz QKMJYLQVCCZNFP-CYBMUJFWSA-N -1 1 377.466 1.820 20 0 GDADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)CN(C)c2nc3ccccc3s2)CC1 ZINC000827362559 601121713 /nfs/dbraw/zinc/12/17/13/601121713.db2.gz QGNCTVNDFRMZOZ-ZDUSSCGKSA-N -1 1 376.482 1.740 20 0 GDADMM CNC(=O)c1ccc(NC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cc1Cl ZINC000831011962 601131024 /nfs/dbraw/zinc/13/10/24/601131024.db2.gz WQCSMYWUJCZDOP-LLVKDONJSA-N -1 1 382.848 1.712 20 0 GDADMM COC[C@](C)(CC(=O)[O-])NCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000831578811 601134537 /nfs/dbraw/zinc/13/45/37/601134537.db2.gz QZYSJECNKWJQHH-KRWDZBQOSA-N -1 1 383.470 1.134 20 0 GDADMM COC[C@](C)(CC(=O)[O-])NCc1nc(=O)c2c(C)c(C(=O)OC)sc2[nH]1 ZINC000831584457 601134625 /nfs/dbraw/zinc/13/46/25/601134625.db2.gz FQYGGZCZNNURGH-INIZCTEOSA-N -1 1 383.426 1.049 20 0 GDADMM CC(C)CN1CCN(C(=O)N[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)CC1 ZINC000826886533 601153903 /nfs/dbraw/zinc/15/39/03/601153903.db2.gz YQEIVCQEDCIBAW-CQSZACIVSA-N -1 1 394.497 1.535 20 0 GDADMM O=C([O-])c1ccsc1N1CC[C@H](NC(=O)N2CCN(C3CCC3)CC2)C1=O ZINC000833340297 601154586 /nfs/dbraw/zinc/15/45/86/601154586.db2.gz HUAKRCDVHGMZBO-AWEZNQCLSA-N -1 1 392.481 1.431 20 0 GDADMM COC(=O)c1cc(NC(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)cc(C(=O)[O-])c1 ZINC000831290023 601197181 /nfs/dbraw/zinc/19/71/81/601197181.db2.gz WOGYHQPQNASJLK-ZDUSSCGKSA-N -1 1 389.368 1.203 20 0 GDADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N(C)CCCN2CCN(C)CC2)c1C ZINC000273743756 601246833 /nfs/dbraw/zinc/24/68/33/601246833.db2.gz UFZDGGQDANPKFY-UHFFFAOYSA-N -1 1 383.514 1.260 20 0 GDADMM CC[C@@H](CN1CCCC1)NS(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC000828880360 601258936 /nfs/dbraw/zinc/25/89/36/601258936.db2.gz UCFZDXNPPBVKOE-AWEZNQCLSA-N -1 1 384.454 1.324 20 0 GDADMM COC[C@@](C)(CC(=O)[O-])NC(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000831549048 601301070 /nfs/dbraw/zinc/30/10/70/601301070.db2.gz GHGVGHZKQUENRB-QGZVFWFLSA-N -1 1 379.438 1.071 20 0 GDADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CCN(C2CCOCC2)CC1 ZINC000832915202 601308941 /nfs/dbraw/zinc/30/89/41/601308941.db2.gz HYIIRSKCSLUWKL-OAHLLOKOSA-N -1 1 375.469 1.817 20 0 GDADMM CCOC[C@@H]1CCN([C@@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C(=O)[O-])C1 ZINC000829989463 601378448 /nfs/dbraw/zinc/37/84/48/601378448.db2.gz DMEDCEUWKRYCKS-QWHCGFSZSA-N -1 1 378.425 1.857 20 0 GDADMM O=C1CN(Cc2ccnc(-c3nnn[n-]3)c2)CCN1Cc1ccc(Cl)cc1 ZINC000826481030 607504829 /nfs/dbraw/zinc/50/48/29/607504829.db2.gz CPMBILIKIBUQLH-UHFFFAOYSA-N -1 1 383.843 1.760 20 0 GDADMM O=C1CN(Cc2ccnc(-c3nn[n-]n3)c2)CCN1Cc1ccc(Cl)cc1 ZINC000826481030 607504830 /nfs/dbraw/zinc/50/48/30/607504830.db2.gz CPMBILIKIBUQLH-UHFFFAOYSA-N -1 1 383.843 1.760 20 0 GDADMM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000825977616 601426080 /nfs/dbraw/zinc/42/60/80/601426080.db2.gz KOMCAKLLJHOPDH-MAUKXSAKSA-N -1 1 382.501 1.748 20 0 GDADMM CC(=O)C(C)(C)CCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000823961874 607508599 /nfs/dbraw/zinc/50/85/99/607508599.db2.gz AXYRXAJXZNJDKT-GFCCVEGCSA-N -1 1 386.460 1.089 20 0 GDADMM CC(=O)C(C)(C)CCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000823961874 607508601 /nfs/dbraw/zinc/50/86/01/607508601.db2.gz AXYRXAJXZNJDKT-GFCCVEGCSA-N -1 1 386.460 1.089 20 0 GDADMM COC(=O)[C@@H]1CN(CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])C[C@H]1C ZINC000831115144 601528756 /nfs/dbraw/zinc/52/87/56/601528756.db2.gz TZVUVVRUZQFKSH-SRCQZFHVSA-N -1 1 387.436 1.021 20 0 GDADMM CC(=O)N[C@@H]1CCCN(C(=O)CN2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])C1 ZINC000825871517 601541187 /nfs/dbraw/zinc/54/11/87/601541187.db2.gz SMRIMTBBWVUHHM-KURKYZTESA-N -1 1 379.501 1.469 20 0 GDADMM O=C([O-])[C@H]1c2ccccc2CCN1CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000595888547 601546149 /nfs/dbraw/zinc/54/61/49/601546149.db2.gz DNUIKKPGYZAWHD-GOSISDBHSA-N -1 1 397.387 1.747 20 0 GDADMM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CCC(C2(C)OCCO2)CC1 ZINC000826005233 601552939 /nfs/dbraw/zinc/55/29/39/601552939.db2.gz USDPDQQVKPACMN-CQSZACIVSA-N -1 1 376.453 1.865 20 0 GDADMM C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(CSCC(=O)[O-])c2)CN1C1CC1 ZINC000828169391 601571080 /nfs/dbraw/zinc/57/10/80/601571080.db2.gz UNKZUWMYSHQXCL-DOMZBBRYSA-N -1 1 391.493 1.684 20 0 GDADMM COc1cc(Cl)c(C)cc1N1C(=O)C[C@H](N2C[C@@H](C)[C@H](C(=O)[O-])C2)C1=O ZINC000832000290 601635658 /nfs/dbraw/zinc/63/56/58/601635658.db2.gz MENWKZUXSFHGBO-GYSYKLTISA-N -1 1 380.828 1.941 20 0 GDADMM C[C@@H]1CN([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)C[C@@H]1C(=O)[O-] ZINC000828433430 601635758 /nfs/dbraw/zinc/63/57/58/601635758.db2.gz UUQSDCTXHPZVHH-JIMOISOXSA-N -1 1 381.226 1.734 20 0 GDADMM O=C([O-])C1(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)CCS(=O)(=O)CC1 ZINC000833127580 601719857 /nfs/dbraw/zinc/71/98/57/601719857.db2.gz RVESOWULTIKBNB-MRXNPFEDSA-N -1 1 394.493 1.047 20 0 GDADMM COc1cc(C(=O)N(C)C)ccc1NC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000831860902 601732599 /nfs/dbraw/zinc/73/25/99/601732599.db2.gz HJLCGQSSZOUNTN-ZDUSSCGKSA-N -1 1 392.456 1.410 20 0 GDADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2cccn(CC(F)(F)F)c2=O)CC1 ZINC000827369066 601759921 /nfs/dbraw/zinc/75/99/21/601759921.db2.gz NHRTVAIZDPAEHR-LLVKDONJSA-N -1 1 390.362 1.423 20 0 GDADMM O=C([O-])[C@@]1(NC(=O)C(=O)Nc2ccccc2)CCCN(Cc2ccccc2)C1 ZINC000833159565 601778586 /nfs/dbraw/zinc/77/85/86/601778586.db2.gz JDEMLWKZHZLIIJ-OAQYLSRUSA-N -1 1 381.432 1.861 20 0 GDADMM CCNC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c1 ZINC000829804356 601832342 /nfs/dbraw/zinc/83/23/42/601832342.db2.gz UTTCFUCCCTUEKF-UHFFFAOYSA-N -1 1 383.813 1.984 20 0 GDADMM C[C@@H](CNS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)CN1CCN(C)CC1 ZINC000761264170 601841203 /nfs/dbraw/zinc/84/12/03/601841203.db2.gz VGTPJZNXXLVFIZ-LBPRGKRZSA-N -1 1 389.905 1.200 20 0 GDADMM CN(C)[C@@]1(CNS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)CCSC1 ZINC000830592638 601842418 /nfs/dbraw/zinc/84/24/18/601842418.db2.gz XJXROUYZJTUDKL-CQSZACIVSA-N -1 1 378.903 1.754 20 0 GDADMM Cc1nc([C@@H]2CN(S(=O)(=O)c3ccc(Cl)c(C(=O)[O-])c3)CCO2)n[nH]1 ZINC000832990711 601842817 /nfs/dbraw/zinc/84/28/17/601842817.db2.gz FQNRKGAKFZGXPQ-LBPRGKRZSA-N -1 1 386.817 1.227 20 0 GDADMM CN1CCN(c2cc(CNC(=O)[C@H](Cc3ccccc3)NC(=O)[O-])ccn2)CC1 ZINC000739737333 601855003 /nfs/dbraw/zinc/85/50/03/601855003.db2.gz XHKRHZVFLVGKLQ-SFHVURJKSA-N -1 1 397.479 1.329 20 0 GDADMM CN(C)S(=O)(=O)c1cccc(CSCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000825875266 607532245 /nfs/dbraw/zinc/53/22/45/607532245.db2.gz HTUFLLLMBPGITH-UHFFFAOYSA-N -1 1 390.494 1.945 20 0 GDADMM CN(C)S(=O)(=O)c1cccc(CSCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000825875266 607532246 /nfs/dbraw/zinc/53/22/46/607532246.db2.gz HTUFLLLMBPGITH-UHFFFAOYSA-N -1 1 390.494 1.945 20 0 GDADMM CN(C(=O)[O-])[C@@H]1CCCN(C(=O)c2ccc3c(c2)[nH]c(=S)n(C)c3=O)C1 ZINC000739582560 601901610 /nfs/dbraw/zinc/90/16/10/601901610.db2.gz CIHCPMHAALQDBC-LLVKDONJSA-N -1 1 376.438 1.437 20 0 GDADMM COc1ccc(CN(C)C(=O)[C@@H](C)N2CCSC[C@H]2CC(=O)[O-])cc1OC ZINC000832304312 601920706 /nfs/dbraw/zinc/92/07/06/601920706.db2.gz ILHOLGDQJPHETF-UKRRQHHQSA-N -1 1 396.509 1.943 20 0 GDADMM COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2cccc(C)c2-c2nn[nH]n2)c1 ZINC000826187929 607534049 /nfs/dbraw/zinc/53/40/49/607534049.db2.gz IUSWONNPBBAJHS-UHFFFAOYSA-N -1 1 389.393 1.683 20 0 GDADMM C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCSC[C@H]1CC(=O)[O-] ZINC000825989169 601926724 /nfs/dbraw/zinc/92/67/24/601926724.db2.gz CAWAXMCWJRFHCE-DOTOQJQBSA-N -1 1 377.510 1.616 20 0 GDADMM COc1ccc(CNC(=O)[C@@H](C)N2CCSC[C@H]2CC(=O)[O-])cc1OC ZINC000832318996 601927895 /nfs/dbraw/zinc/92/78/95/601927895.db2.gz NSIXQLCFTDYYRU-TZMCWYRMSA-N -1 1 382.482 1.601 20 0 GDADMM CN(C)C(=O)c1cccc(NC(=O)CN(C2CC2)C2CCN(C(=O)[O-])CC2)c1 ZINC000739599024 601931503 /nfs/dbraw/zinc/93/15/03/601931503.db2.gz BGLCBDDNPZSPBL-UHFFFAOYSA-N -1 1 388.468 1.934 20 0 GDADMM O=C([O-])NC[C@@H]1CCN(CC(=O)NCc2ccccc2CN2CCCC2=O)C1 ZINC000740640582 601937877 /nfs/dbraw/zinc/93/78/77/601937877.db2.gz FDSKKALSYJKXGP-HNNXBMFYSA-N -1 1 388.468 1.015 20 0 GDADMM O=C([O-])N1CCC(n2cc(C(=O)Nc3nc(-c4cccs4)n[nH]3)nn2)CC1 ZINC000740478290 602026063 /nfs/dbraw/zinc/02/60/63/602026063.db2.gz PBWGTCOWEAINBY-UHFFFAOYSA-N -1 1 388.413 1.692 20 0 GDADMM Cc1nn(-c2ccccc2)c(Cl)c1CNC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC000833011885 602061428 /nfs/dbraw/zinc/06/14/28/602061428.db2.gz RNSJJEIOZLTIED-UHFFFAOYSA-N -1 1 397.884 1.956 20 0 GDADMM O=c1[nH]c2ccccc2n2c(SCc3ccnc(-c4nnn[n-]4)c3)nnc12 ZINC000826501504 607542904 /nfs/dbraw/zinc/54/29/04/607542904.db2.gz SZJMXYRUQMLHOH-UHFFFAOYSA-N -1 1 377.393 1.438 20 0 GDADMM O=c1[nH]c2ccccc2n2c(SCc3ccnc(-c4nn[n-]n4)c3)nnc12 ZINC000826501504 607542906 /nfs/dbraw/zinc/54/29/06/607542906.db2.gz SZJMXYRUQMLHOH-UHFFFAOYSA-N -1 1 377.393 1.438 20 0 GDADMM CC1CCC(N2CCN(C(=O)C(=O)Nc3cccc(CC(=O)[O-])c3)CC2)CC1 ZINC000569106148 602127435 /nfs/dbraw/zinc/12/74/35/602127435.db2.gz OICRMYLSPQSYPH-UHFFFAOYSA-N -1 1 387.480 1.975 20 0 GDADMM CCc1cc(CNS(=O)(=O)c2cc(C(=O)[O-])oc2Br)on1 ZINC000761289083 602158489 /nfs/dbraw/zinc/15/84/89/602158489.db2.gz MCEIBQXFXUSLLS-UHFFFAOYSA-N -1 1 379.188 1.769 20 0 GDADMM C[C@H](NC(=O)N1CCN(C(=O)[O-])CC1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000736646656 602186887 /nfs/dbraw/zinc/18/68/87/602186887.db2.gz XJNPOEABQZUEJN-AWEZNQCLSA-N -1 1 393.463 1.644 20 0 GDADMM CN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000311923157 602327245 /nfs/dbraw/zinc/32/72/45/602327245.db2.gz GXYWXINDMJVMMX-OAHLLOKOSA-N -1 1 377.466 1.618 20 0 GDADMM CN([C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000311923157 602327248 /nfs/dbraw/zinc/32/72/48/602327248.db2.gz GXYWXINDMJVMMX-OAHLLOKOSA-N -1 1 377.466 1.618 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCC[C@@H]1COC(C)(C)O1 ZINC000826233058 607563128 /nfs/dbraw/zinc/56/31/28/607563128.db2.gz SEIAJAZNRHVDDF-GFCCVEGCSA-N -1 1 391.428 1.602 20 0 GDADMM COC(=O)c1ccc(CNC(=O)[C@H](C)N2CCC(CN(C)C(=O)[O-])CC2)cc1 ZINC000739784919 602383975 /nfs/dbraw/zinc/38/39/75/602383975.db2.gz HCNMSOCCAHVTRO-AWEZNQCLSA-N -1 1 391.468 1.800 20 0 GDADMM C[C@H](NC(=O)[O-])C1CCN(CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000739022738 602445344 /nfs/dbraw/zinc/44/53/44/602445344.db2.gz DWKCVUQIVHVJFE-IRXDYDNUSA-N -1 1 388.512 1.997 20 0 GDADMM C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C[C@H]3CCCN(C(=O)[O-])C3)CC2)C1 ZINC000739074074 602450861 /nfs/dbraw/zinc/45/08/61/602450861.db2.gz HOSMHKPSGKJPIO-FGTMMUONSA-N -1 1 380.533 1.499 20 0 GDADMM CCCN(CC(=O)N[C@@H](C(=O)NC)c1ccccc1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739353576 602542921 /nfs/dbraw/zinc/54/29/21/602542921.db2.gz KDZHRUKGVXVZFN-DOTOQJQBSA-N -1 1 376.457 1.054 20 0 GDADMM CCCN(CC(=O)NC[C@@H]1COc2ccccc2O1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739352619 602545141 /nfs/dbraw/zinc/54/51/41/602545141.db2.gz DROAVXWJAFYEGY-LSDHHAIUSA-N -1 1 377.441 1.407 20 0 GDADMM COc1ccc([C@@H](CNC(=O)NC[C@@H]2CCCN2C(=O)[O-])N(C)C)cc1OC ZINC000739891489 602605817 /nfs/dbraw/zinc/60/58/17/602605817.db2.gz CCPATRGDRMSZCX-LSDHHAIUSA-N -1 1 394.472 1.748 20 0 GDADMM 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ZINC000739897030 602824895 /nfs/dbraw/zinc/82/48/95/602824895.db2.gz PWZDMFPRMJXULF-SJORKVTESA-N -1 1 377.441 1.327 20 0 GDADMM COc1ccccc1[C@@H](CNC(=O)[C@@H]1COCCN1C(=O)[O-])N1CCCC1 ZINC000739958883 602827044 /nfs/dbraw/zinc/82/70/44/602827044.db2.gz MSVUGUIHSSORGG-CVEARBPZSA-N -1 1 377.441 1.327 20 0 GDADMM COc1ccc(COC[C@H](O)CN2C[C@@H](C)N(C(=O)[O-])[C@@H](C)C2)cc1OC ZINC000739904120 602939093 /nfs/dbraw/zinc/93/90/93/602939093.db2.gz UJHCVKNNCDNEAE-IJEWVQPXSA-N -1 1 382.457 1.654 20 0 GDADMM O=C([O-])N1CCCC[C@H](NC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)C1 ZINC000740405896 602968852 /nfs/dbraw/zinc/96/88/52/602968852.db2.gz QBGWWXWCBLTQIC-ZWKOTPCHSA-N -1 1 390.484 1.237 20 0 GDADMM C[C@@H]1CN2CCCC[C@H]2CN1C(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1 ZINC000739198427 602981787 /nfs/dbraw/zinc/98/17/87/602981787.db2.gz MKPSLEAUFKHVIP-HIFRSBDPSA-N -1 1 376.461 1.292 20 0 GDADMM C[C@@H](COCC(F)(F)F)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824440248 607598886 /nfs/dbraw/zinc/59/88/86/607598886.db2.gz BMLTWOQRNPVFHI-ZETCQYMHSA-N -1 1 383.327 1.252 20 0 GDADMM C[C@@H](COCC(F)(F)F)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824440248 607598887 /nfs/dbraw/zinc/59/88/87/607598887.db2.gz BMLTWOQRNPVFHI-ZETCQYMHSA-N -1 1 383.327 1.252 20 0 GDADMM CCOC(=O)CN(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825511872 607598913 /nfs/dbraw/zinc/59/89/13/607598913.db2.gz JBJRFHOCMJJKTF-UHFFFAOYSA-N -1 1 393.347 1.069 20 0 GDADMM C[C@H](NC(=O)[O-])C1CCN(C(=O)C(=O)Nc2ccn(-c3ccncc3)n2)CC1 ZINC000739006514 603045027 /nfs/dbraw/zinc/04/50/27/603045027.db2.gz YOYAKROOBFOMCO-LBPRGKRZSA-N -1 1 386.412 1.101 20 0 GDADMM O=C([O-])NC[C@H](NC(=O)CCn1c(=O)c2ccccc2[nH]c1=S)C1CC1 ZINC000740601709 603047320 /nfs/dbraw/zinc/04/73/20/603047320.db2.gz OARLRAJHYMQHAX-ZDUSSCGKSA-N -1 1 376.438 1.238 20 0 GDADMM Cn1cc(CCCNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cn1 ZINC000826360228 607605523 /nfs/dbraw/zinc/60/55/23/607605523.db2.gz CCIDOMWZQGCSAB-UHFFFAOYSA-N -1 1 381.849 1.165 20 0 GDADMM CC[C@@H]1CN(C(=O)[C@H](C)[C@@H](NC(=O)[O-])c2ccccc2)CCN1C[C@@H](C)O ZINC000826675476 603058267 /nfs/dbraw/zinc/05/82/67/603058267.db2.gz LJZMOXWMVBKWGA-JOCBIADPSA-N -1 1 377.485 1.935 20 0 GDADMM Cn1cc(CCCNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cn1 ZINC000826360228 607605524 /nfs/dbraw/zinc/60/55/24/607605524.db2.gz CCIDOMWZQGCSAB-UHFFFAOYSA-N -1 1 381.849 1.165 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCCC[C@H]1C1OCCO1 ZINC000826494498 607604226 /nfs/dbraw/zinc/60/42/26/607604226.db2.gz FATIVBPKZQWBCL-LBPRGKRZSA-N -1 1 399.860 1.436 20 0 GDADMM CN1CCN(C[C@H](NC(=O)N[C@H](CNC(=O)[O-])C2CC2)c2ccccc2)CC1 ZINC000739737796 603096112 /nfs/dbraw/zinc/09/61/12/603096112.db2.gz SGKSKDHBGSCDQJ-MSOLQXFVSA-N -1 1 389.500 1.321 20 0 GDADMM C[C@](CNC(=O)[O-])(NC(=O)CCN1CCN(c2ccccn2)CC1)C1CC1 ZINC000738924355 603096463 /nfs/dbraw/zinc/09/64/63/603096463.db2.gz IPALPTKVSIAIQF-LJQANCHMSA-N -1 1 375.473 1.146 20 0 GDADMM CC(C)[C@](C)(CNC(=O)[O-])NC(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000738767397 603099621 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382.384 1.348 20 0 GDADMM CN(C)c1cnc(C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)cn1 ZINC000833871292 605734380 /nfs/dbraw/zinc/73/43/80/605734380.db2.gz MDUWRALODUSWFS-UHFFFAOYSA-N -1 1 382.384 1.348 20 0 GDADMM C[C@@]1(C(=O)OCC2=Nc3ccccc3S(=O)(=O)N2)CCCCN1C(=O)[O-] ZINC000833821638 605867181 /nfs/dbraw/zinc/86/71/81/605867181.db2.gz HSIAQDZPIFGIGF-INIZCTEOSA-N -1 1 381.410 1.474 20 0 GDADMM C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1C[C@H](CNC(=O)[O-])C[C@H]1C ZINC000833832212 605904775 /nfs/dbraw/zinc/90/47/75/605904775.db2.gz ROOVKSGEWKTDFI-OAGGEKHMSA-N -1 1 390.484 1.828 20 0 GDADMM O=C([O-])N1CCO[C@@H](CC(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)C1 ZINC000834119745 605971662 /nfs/dbraw/zinc/97/16/62/605971662.db2.gz STBYNSKUZKADRQ-LSDHHAIUSA-N -1 1 385.424 1.904 20 0 GDADMM C[C@@H]1[C@H](C)N(C(=O)[O-])CCN1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000833825877 606040200 /nfs/dbraw/zinc/04/02/00/606040200.db2.gz DHXXUMUHGZCWDX-CVEARBPZSA-N -1 1 375.473 1.193 20 0 GDADMM Cc1oc(NC(=O)[C@@H](C)N(C)Cc2nnc3ccccn32)c(-c2nn[n-]n2)c1C ZINC000822541682 606079982 /nfs/dbraw/zinc/07/99/82/606079982.db2.gz PMVSSGAABJMUCP-LLVKDONJSA-N -1 1 395.427 1.578 20 0 GDADMM Cc1cnc(C[N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C(F)(F)F)o1 ZINC000822394493 606123614 /nfs/dbraw/zinc/12/36/14/606123614.db2.gz BFUKUQFBPHUMDQ-UHFFFAOYSA-N -1 1 388.331 1.660 20 0 GDADMM O=CN1CCc2cc(C(=O)COC(=O)c3ccc(-c4nnn[n-]4)s3)ccc21 ZINC000823551545 606134681 /nfs/dbraw/zinc/13/46/81/606134681.db2.gz UWMBQIIFLHXMCU-UHFFFAOYSA-N -1 1 383.389 1.487 20 0 GDADMM O=CN1CCc2cc(C(=O)COC(=O)c3ccc(-c4nn[n-]n4)s3)ccc21 ZINC000823551545 606134683 /nfs/dbraw/zinc/13/46/83/606134683.db2.gz UWMBQIIFLHXMCU-UHFFFAOYSA-N -1 1 383.389 1.487 20 0 GDADMM CCCCCOC1CN(C(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C1 ZINC000821056604 606134680 /nfs/dbraw/zinc/13/46/80/606134680.db2.gz UFCCQKQPNJIXDB-UHFFFAOYSA-N -1 1 388.472 1.934 20 0 GDADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCCNc1ccc(-c2nn[nH]n2)cn1 ZINC000822424632 606150869 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Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCN(c3ccccc3Cl)CC2)n1 ZINC000822608670 606157750 /nfs/dbraw/zinc/15/77/50/606157750.db2.gz GNYXLQQNXIZDJY-UHFFFAOYSA-N -1 1 387.835 1.608 20 0 GDADMM CCOC(=O)[C@@H](CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccccc1 ZINC000821319133 606158507 /nfs/dbraw/zinc/15/85/07/606158507.db2.gz ATLCFDQFSOGOPQ-LBPRGKRZSA-N -1 1 384.400 1.069 20 0 GDADMM CCOC(=O)[C@@H](CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccccc1 ZINC000821319133 606158508 /nfs/dbraw/zinc/15/85/08/606158508.db2.gz ATLCFDQFSOGOPQ-LBPRGKRZSA-N -1 1 384.400 1.069 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)n1 ZINC000822613093 606159212 /nfs/dbraw/zinc/15/92/12/606159212.db2.gz ADIGNTIRYFDWEW-SNVBAGLBSA-N -1 1 389.370 1.279 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)n1 ZINC000822613093 606159214 /nfs/dbraw/zinc/15/92/14/606159214.db2.gz ADIGNTIRYFDWEW-SNVBAGLBSA-N -1 1 389.370 1.279 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2cccc(OCC(F)F)c2)n1 ZINC000822620624 606160088 /nfs/dbraw/zinc/16/00/88/606160088.db2.gz ZHZUAZAQFOVTDQ-UHFFFAOYSA-N -1 1 378.343 1.566 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2cccc(OCC(F)F)c2)n1 ZINC000822620624 606160090 /nfs/dbraw/zinc/16/00/90/606160090.db2.gz ZHZUAZAQFOVTDQ-UHFFFAOYSA-N -1 1 378.343 1.566 20 0 GDADMM C[C@@H]1CN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C[C@H](c2ccc(F)cc2)O1 ZINC000820744524 606160519 /nfs/dbraw/zinc/16/05/19/606160519.db2.gz YIYSMPAIIYDTAO-QMTHXVAHSA-N -1 1 386.391 1.733 20 0 GDADMM C[C@@H]1CN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C[C@H](c2ccc(F)cc2)O1 ZINC000820744524 606160521 /nfs/dbraw/zinc/16/05/21/606160521.db2.gz YIYSMPAIIYDTAO-QMTHXVAHSA-N -1 1 386.391 1.733 20 0 GDADMM COC(=O)C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000821658940 606162641 /nfs/dbraw/zinc/16/26/41/606162641.db2.gz MXKOPLILDRUJSN-LBPRGKRZSA-N -1 1 388.363 1.165 20 0 GDADMM COC(=O)C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000821658940 606162643 /nfs/dbraw/zinc/16/26/43/606162643.db2.gz MXKOPLILDRUJSN-LBPRGKRZSA-N -1 1 388.363 1.165 20 0 GDADMM CCN(C[C@H]1COc2ccccc2O1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821206532 606165100 /nfs/dbraw/zinc/16/51/00/606165100.db2.gz CHNRBZAPCNBJFA-NSHDSACASA-N -1 1 384.400 1.294 20 0 GDADMM CCN(C[C@H]1COc2ccccc2O1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821206532 606165102 /nfs/dbraw/zinc/16/51/02/606165102.db2.gz CHNRBZAPCNBJFA-NSHDSACASA-N -1 1 384.400 1.294 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)n1 ZINC000822609806 606167761 /nfs/dbraw/zinc/16/77/61/606167761.db2.gz VRWPTCIESICURR-GFCCVEGCSA-N -1 1 382.384 1.698 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)n1 ZINC000822609806 606167762 /nfs/dbraw/zinc/16/77/62/606167762.db2.gz VRWPTCIESICURR-GFCCVEGCSA-N -1 1 382.384 1.698 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)O[C@H](C)[C@@H]1CCOC1 ZINC000822459831 606182209 /nfs/dbraw/zinc/18/22/09/606182209.db2.gz YHSDZGRURUVBMD-CHWSQXEVSA-N -1 1 385.428 1.427 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)O[C@H](C)[C@@H]1CCOC1 ZINC000822459831 606182210 /nfs/dbraw/zinc/18/22/10/606182210.db2.gz YHSDZGRURUVBMD-CHWSQXEVSA-N -1 1 385.428 1.427 20 0 GDADMM Cn1ccc(CNC(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)c1 ZINC000822688817 606185143 /nfs/dbraw/zinc/18/51/43/606185143.db2.gz AOTYNUVUHGPMPH-UHFFFAOYSA-N -1 1 397.443 1.102 20 0 GDADMM Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000822463762 606275726 /nfs/dbraw/zinc/27/57/26/606275726.db2.gz WGVCJVHSFHGNKM-LBPRGKRZSA-N -1 1 393.411 1.724 20 0 GDADMM Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000822463762 606275727 /nfs/dbraw/zinc/27/57/27/606275727.db2.gz WGVCJVHSFHGNKM-LBPRGKRZSA-N -1 1 393.411 1.724 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000823289443 606293529 /nfs/dbraw/zinc/29/35/29/606293529.db2.gz IYULUPVMUKIHBN-NSHDSACASA-N -1 1 382.355 1.703 20 0 GDADMM O=C(COc1cccc(N2CCCC2=O)c1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823043823 606294333 /nfs/dbraw/zinc/29/43/33/606294333.db2.gz JIQHOHJTMFWDFB-UHFFFAOYSA-N -1 1 394.391 1.717 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc(-c2ccccn2)[nH]c1=O ZINC000823294588 606294850 /nfs/dbraw/zinc/29/48/50/606294850.db2.gz IRJWXUFQYNNYHP-UHFFFAOYSA-N -1 1 375.348 1.987 20 0 GDADMM C[C@@H]1CN([C@H](CNC(=O)c2ccc(-c3nnn[n-]3)nc2)c2cccs2)CCO1 ZINC000820752294 606298666 /nfs/dbraw/zinc/29/86/66/606298666.db2.gz LPRGIINLYHAFLD-IUODEOHRSA-N -1 1 399.480 1.515 20 0 GDADMM C[C@@H]1CN([C@H](CNC(=O)c2ccc(-c3nn[n-]n3)nc2)c2cccs2)CCO1 ZINC000820752294 606298667 /nfs/dbraw/zinc/29/86/67/606298667.db2.gz LPRGIINLYHAFLD-IUODEOHRSA-N -1 1 399.480 1.515 20 0 GDADMM c1[nH]c(-c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)cc1-c1nn[nH]n1 ZINC000823747311 606328341 /nfs/dbraw/zinc/32/83/41/606328341.db2.gz FHWMBYLTEZVVBF-UHFFFAOYSA-N -1 1 378.396 1.744 20 0 GDADMM Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)Nc1cc(-c2nn[nH]n2)ccc1O ZINC000822210484 606337393 /nfs/dbraw/zinc/33/73/93/606337393.db2.gz DSXRYAIGWWJKKF-UHFFFAOYSA-N -1 1 391.365 1.085 20 0 GDADMM COc1cc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)ccc1OCC(N)=O ZINC000821717263 606455151 /nfs/dbraw/zinc/45/51/51/606455151.db2.gz MXHJWVSZYZMCFV-UHFFFAOYSA-N -1 1 389.803 1.400 20 0 GDADMM COc1cc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)ccc1OCC(N)=O ZINC000821717263 606455153 /nfs/dbraw/zinc/45/51/53/606455153.db2.gz MXHJWVSZYZMCFV-UHFFFAOYSA-N -1 1 389.803 1.400 20 0 GDADMM CS(=O)(=O)Nc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821937221 606511605 /nfs/dbraw/zinc/51/16/05/606511605.db2.gz KGTSOYGJPGAIRY-UHFFFAOYSA-N -1 1 378.439 1.230 20 0 GDADMM CS(=O)(=O)Nc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821937221 606511606 /nfs/dbraw/zinc/51/16/06/606511606.db2.gz KGTSOYGJPGAIRY-UHFFFAOYSA-N -1 1 378.439 1.230 20 0 GDADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(S(N)(=O)=O)cc1 ZINC000820391367 606517773 /nfs/dbraw/zinc/51/77/73/606517773.db2.gz OGSHQGYGKAQVJV-MRVPVSSYSA-N -1 1 378.439 1.067 20 0 GDADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(S(N)(=O)=O)cc1 ZINC000820391367 606517775 /nfs/dbraw/zinc/51/77/75/606517775.db2.gz OGSHQGYGKAQVJV-MRVPVSSYSA-N -1 1 378.439 1.067 20 0 GDADMM O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823363932 606525430 /nfs/dbraw/zinc/52/54/30/606525430.db2.gz REKXGHHVIZABRE-UHFFFAOYSA-N -1 1 383.393 1.232 20 0 GDADMM O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823363932 606525431 /nfs/dbraw/zinc/52/54/31/606525431.db2.gz REKXGHHVIZABRE-UHFFFAOYSA-N -1 1 383.393 1.232 20 0 GDADMM CCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821441804 606527411 /nfs/dbraw/zinc/52/74/11/606527411.db2.gz OQZMEFRTKTUTMU-UHFFFAOYSA-N -1 1 378.439 1.942 20 0 GDADMM CCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821441804 606527412 /nfs/dbraw/zinc/52/74/12/606527412.db2.gz OQZMEFRTKTUTMU-UHFFFAOYSA-N -1 1 378.439 1.942 20 0 GDADMM O=C(CNC(=O)CC12CC3CC(CC(C3)C1)C2)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000822941558 606532811 /nfs/dbraw/zinc/53/28/11/606532811.db2.gz ZVORLTYCXZXTBJ-UHFFFAOYSA-N -1 1 384.444 1.251 20 0 GDADMM O=C(CNC(=O)CC12CC3CC(CC(C3)C1)C2)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000822941558 606532813 /nfs/dbraw/zinc/53/28/13/606532813.db2.gz ZVORLTYCXZXTBJ-UHFFFAOYSA-N -1 1 384.444 1.251 20 0 GDADMM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)s1)Nc1cccc2cccnc21 ZINC000823005421 606544699 /nfs/dbraw/zinc/54/46/99/606544699.db2.gz QCWIQNPEYMXDBD-UHFFFAOYSA-N -1 1 379.405 1.845 20 0 GDADMM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)s1)Nc1cccc2cccnc21 ZINC000823005421 606544701 /nfs/dbraw/zinc/54/47/01/606544701.db2.gz QCWIQNPEYMXDBD-UHFFFAOYSA-N -1 1 379.405 1.845 20 0 GDADMM CC[C@H]1CN(CCn2cccn2)CCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820994627 606567986 /nfs/dbraw/zinc/56/79/86/606567986.db2.gz JGNYWSCFXGEPAV-ZDUSSCGKSA-N -1 1 386.485 1.361 20 0 GDADMM CC(C)S(=O)(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)[C@H](C)C1 ZINC000820766220 606584419 /nfs/dbraw/zinc/58/44/19/606584419.db2.gz ARDPVDLOCNLMHI-GHMZBOCLSA-N -1 1 398.514 1.107 20 0 GDADMM CC(C)S(=O)(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)[C@H](C)C1 ZINC000820766220 606584420 /nfs/dbraw/zinc/58/44/20/606584420.db2.gz ARDPVDLOCNLMHI-GHMZBOCLSA-N -1 1 398.514 1.107 20 0 GDADMM CSc1nc(C)c(CCC(=O)OCc2ccnc(-c3nn[nH]n3)c2)c(=O)[n-]1 ZINC000821988763 606649717 /nfs/dbraw/zinc/64/97/17/606649717.db2.gz GTMGVPQGLLUSRL-UHFFFAOYSA-N -1 1 387.425 1.464 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000823436335 606649975 /nfs/dbraw/zinc/64/99/75/606649975.db2.gz QJNBYDYKDQVBHI-UONOGXRCSA-N -1 1 379.376 1.880 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000823436335 606649976 /nfs/dbraw/zinc/64/99/76/606649976.db2.gz QJNBYDYKDQVBHI-UONOGXRCSA-N -1 1 379.376 1.880 20 0 GDADMM Cc1cccc([C@H](CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)NC(N)=O)c1 ZINC000822288718 606651166 /nfs/dbraw/zinc/65/11/66/606651166.db2.gz HNXQGSMMIBWRHI-AWEZNQCLSA-N -1 1 381.396 1.413 20 0 GDADMM Cc1cccc([C@H](CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)NC(N)=O)c1 ZINC000822288718 606651167 /nfs/dbraw/zinc/65/11/67/606651167.db2.gz HNXQGSMMIBWRHI-AWEZNQCLSA-N -1 1 381.396 1.413 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cnnn1-c1ccccc1Cl ZINC000823436526 606651358 /nfs/dbraw/zinc/65/13/58/606651358.db2.gz ZLWTXSXMGUXUDY-UHFFFAOYSA-N -1 1 382.771 1.853 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cnnn1-c1ccccc1Cl ZINC000823436526 606651359 /nfs/dbraw/zinc/65/13/59/606651359.db2.gz ZLWTXSXMGUXUDY-UHFFFAOYSA-N -1 1 382.771 1.853 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ncccc1OCC(F)(F)F ZINC000823440478 606653203 /nfs/dbraw/zinc/65/32/03/606653203.db2.gz VNYGKGLLZNSQNQ-UHFFFAOYSA-N -1 1 380.286 1.955 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ncccc1OCC(F)(F)F ZINC000823440478 606653204 /nfs/dbraw/zinc/65/32/04/606653204.db2.gz VNYGKGLLZNSQNQ-UHFFFAOYSA-N -1 1 380.286 1.955 20 0 GDADMM C[C@@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820385864 606653391 /nfs/dbraw/zinc/65/33/91/606653391.db2.gz UVZKRSVRJSFIGZ-GFCCVEGCSA-N -1 1 382.380 1.620 20 0 GDADMM C[C@@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820385864 606653392 /nfs/dbraw/zinc/65/33/92/606653392.db2.gz UVZKRSVRJSFIGZ-GFCCVEGCSA-N -1 1 382.380 1.620 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=S)Nc1ccccc1F ZINC000820788898 606764898 /nfs/dbraw/zinc/76/48/98/606764898.db2.gz QTPDVOGIYBTKSU-NSHDSACASA-N -1 1 399.459 1.703 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=S)Nc1ccccc1F ZINC000820788898 606764899 /nfs/dbraw/zinc/76/48/99/606764899.db2.gz QTPDVOGIYBTKSU-NSHDSACASA-N -1 1 399.459 1.703 20 0 GDADMM Cc1ccccc1NC(=S)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000822362185 606765152 /nfs/dbraw/zinc/76/51/52/606765152.db2.gz NLMOPHOCMFYOLM-ZDUSSCGKSA-N -1 1 395.496 1.873 20 0 GDADMM Cc1ccccc1NC(=S)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000822362185 606765154 /nfs/dbraw/zinc/76/51/54/606765154.db2.gz NLMOPHOCMFYOLM-ZDUSSCGKSA-N -1 1 395.496 1.873 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCc1ccc(F)cc1 ZINC000820788899 606768123 /nfs/dbraw/zinc/76/81/23/606768123.db2.gz QUGSBEXFYDGLPM-GFCCVEGCSA-N -1 1 397.418 1.216 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCc1ccc(F)cc1 ZINC000820788899 606768125 /nfs/dbraw/zinc/76/81/25/606768125.db2.gz QUGSBEXFYDGLPM-GFCCVEGCSA-N -1 1 397.418 1.216 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)NC1CCCCCC1 ZINC000820788962 606777858 /nfs/dbraw/zinc/77/78/58/606777858.db2.gz SDBNRRVPULFALR-CQSZACIVSA-N -1 1 399.503 1.006 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)NC1CCCCCC1 ZINC000820788962 606777860 /nfs/dbraw/zinc/77/78/60/606777860.db2.gz SDBNRRVPULFALR-CQSZACIVSA-N -1 1 399.503 1.006 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1nc(-c2ccoc2)no1 ZINC000820804580 606780388 /nfs/dbraw/zinc/78/03/88/606780388.db2.gz VKBZYJPAMUJZMU-NSHDSACASA-N -1 1 394.399 1.010 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1nc(-c2ccoc2)no1 ZINC000820804580 606780389 /nfs/dbraw/zinc/78/03/89/606780389.db2.gz VKBZYJPAMUJZMU-NSHDSACASA-N -1 1 394.399 1.010 20 0 GDADMM CC(C)c1nc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cs1 ZINC000820203456 606782101 /nfs/dbraw/zinc/78/21/01/606782101.db2.gz UOPSAYOTPIPZPS-LBPRGKRZSA-N -1 1 385.501 1.947 20 0 GDADMM CC(C)c1nc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cs1 ZINC000820203456 606782102 /nfs/dbraw/zinc/78/21/02/606782102.db2.gz UOPSAYOTPIPZPS-LBPRGKRZSA-N -1 1 385.501 1.947 20 0 GDADMM COCCC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Br)ccc21 ZINC000821685203 606784898 /nfs/dbraw/zinc/78/48/98/606784898.db2.gz XDPOSLVNDBNMTE-UHFFFAOYSA-N -1 1 392.213 1.550 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCc1ccsc1 ZINC000820789131 606786839 /nfs/dbraw/zinc/78/68/39/606786839.db2.gz WALDDDSLYYSUTG-LLVKDONJSA-N -1 1 385.457 1.139 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCc1ccsc1 ZINC000820789131 606786841 /nfs/dbraw/zinc/78/68/41/606786841.db2.gz WALDDDSLYYSUTG-LLVKDONJSA-N -1 1 385.457 1.139 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCCC(F)(F)F ZINC000820788196 606793991 /nfs/dbraw/zinc/79/39/91/606793991.db2.gz AEJGHEZMTCNVPA-SNVBAGLBSA-N -1 1 399.381 1.219 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCCC(F)(F)F ZINC000820788196 606793993 /nfs/dbraw/zinc/79/39/93/606793993.db2.gz AEJGHEZMTCNVPA-SNVBAGLBSA-N -1 1 399.381 1.219 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccccc1Cl ZINC000820789185 606818372 /nfs/dbraw/zinc/81/83/72/606818372.db2.gz XDHXOJOPPVRPNN-LLVKDONJSA-N -1 1 384.831 1.661 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccccc1Cl ZINC000820789185 606818373 /nfs/dbraw/zinc/81/83/73/606818373.db2.gz XDHXOJOPPVRPNN-LLVKDONJSA-N -1 1 384.831 1.661 20 0 GDADMM COc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cc1F ZINC000821769118 606822455 /nfs/dbraw/zinc/82/24/55/606822455.db2.gz DDUNCRBHIXBINY-NSHDSACASA-N -1 1 398.402 1.155 20 0 GDADMM COc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cc1F ZINC000821769118 606822456 /nfs/dbraw/zinc/82/24/56/606822456.db2.gz DDUNCRBHIXBINY-NSHDSACASA-N -1 1 398.402 1.155 20 0 GDADMM Cc1cc(F)cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1 ZINC000822203229 606822807 /nfs/dbraw/zinc/82/28/07/606822807.db2.gz JZSXONZUZCJHDK-GFCCVEGCSA-N -1 1 382.403 1.455 20 0 GDADMM Cc1cc(F)cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1 ZINC000822203229 606822809 /nfs/dbraw/zinc/82/28/09/606822809.db2.gz JZSXONZUZCJHDK-GFCCVEGCSA-N -1 1 382.403 1.455 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc2c(c1)COC2 ZINC000820788922 606823586 /nfs/dbraw/zinc/82/35/86/606823586.db2.gz RKADJGOZIVEQSE-LBPRGKRZSA-N -1 1 392.423 1.038 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc2c(c1)COC2 ZINC000820788922 606823588 /nfs/dbraw/zinc/82/35/88/606823588.db2.gz RKADJGOZIVEQSE-LBPRGKRZSA-N -1 1 392.423 1.038 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc2[nH]ccc2c1 ZINC000820788799 606824775 /nfs/dbraw/zinc/82/47/75/606824775.db2.gz OQGKDOQQPZVVMM-GFCCVEGCSA-N -1 1 389.423 1.489 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc2[nH]ccc2c1 ZINC000820788799 606824777 /nfs/dbraw/zinc/82/47/77/606824777.db2.gz OQGKDOQQPZVVMM-GFCCVEGCSA-N -1 1 389.423 1.489 20 0 GDADMM C[C@@H]1CCC[C@H](NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)[C@H]1C ZINC000820698205 606826174 /nfs/dbraw/zinc/82/61/74/606826174.db2.gz RDDIIQBHTRLTIU-KBXIAJHMSA-N -1 1 399.503 1.702 20 0 GDADMM C[C@@H]1CCC[C@H](NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)[C@H]1C ZINC000820698205 606826175 /nfs/dbraw/zinc/82/61/75/606826175.db2.gz RDDIIQBHTRLTIU-KBXIAJHMSA-N -1 1 399.503 1.702 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cccc2cc[nH]c21 ZINC000820789219 606831716 /nfs/dbraw/zinc/83/17/16/606831716.db2.gz YEOBFXRUGOJHNF-GFCCVEGCSA-N -1 1 389.423 1.489 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cccc2cc[nH]c21 ZINC000820789219 606831718 /nfs/dbraw/zinc/83/17/18/606831718.db2.gz YEOBFXRUGOJHNF-GFCCVEGCSA-N -1 1 389.423 1.489 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NC1CCC(C)(C)CC1 ZINC000820788842 606834487 /nfs/dbraw/zinc/83/44/87/606834487.db2.gz PFLOBFARPTYSKK-ZDUSSCGKSA-N -1 1 399.503 1.846 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NC1CCC(C)(C)CC1 ZINC000820788842 606834488 /nfs/dbraw/zinc/83/44/88/606834488.db2.gz PFLOBFARPTYSKK-ZDUSSCGKSA-N -1 1 399.503 1.846 20 0 GDADMM CN(CCOCc1ccccc1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821603736 606848767 /nfs/dbraw/zinc/84/87/67/606848767.db2.gz MPTPSLOHVVSRLK-UHFFFAOYSA-N -1 1 391.428 1.843 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C1(c2ccccc2)CC1 ZINC000820777391 606855080 /nfs/dbraw/zinc/85/50/80/606855080.db2.gz QYLLOQKFMWYJCV-CQSZACIVSA-N -1 1 390.451 1.426 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C1(c2ccccc2)CC1 ZINC000820777391 606855081 /nfs/dbraw/zinc/85/50/81/606855081.db2.gz QYLLOQKFMWYJCV-CQSZACIVSA-N -1 1 390.451 1.426 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cccc2c1CCC2 ZINC000820788856 606855086 /nfs/dbraw/zinc/85/50/86/606855086.db2.gz PLAJLCCHNFRTRW-ZDUSSCGKSA-N -1 1 390.451 1.496 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cccc2c1CCC2 ZINC000820788856 606855087 /nfs/dbraw/zinc/85/50/87/606855087.db2.gz PLAJLCCHNFRTRW-ZDUSSCGKSA-N -1 1 390.451 1.496 20 0 GDADMM CCS[C@@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)C(C)C ZINC000821449596 606855446 /nfs/dbraw/zinc/85/54/46/606855446.db2.gz VMOOAVYTIQVSCY-TZMCWYRMSA-N -1 1 390.517 1.472 20 0 GDADMM CCS[C@@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)C(C)C ZINC000821449596 606855448 /nfs/dbraw/zinc/85/54/48/606855448.db2.gz VMOOAVYTIQVSCY-TZMCWYRMSA-N -1 1 390.517 1.472 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000823607897 607007073 /nfs/dbraw/zinc/00/70/73/607007073.db2.gz YJRSSEFPYSPTPM-BZNIZROVSA-N -1 1 381.433 1.322 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000823607897 607007074 /nfs/dbraw/zinc/00/70/74/607007074.db2.gz YJRSSEFPYSPTPM-BZNIZROVSA-N -1 1 381.433 1.322 20 0 GDADMM Cc1ccc(CN2C[C@H](C(=O)Nc3ncc(-c4nnn[n-]4)s3)CC2=O)cc1 ZINC000822237331 607024403 /nfs/dbraw/zinc/02/44/03/607024403.db2.gz PFTOGVPCIAGLAI-GFCCVEGCSA-N -1 1 383.437 1.619 20 0 GDADMM Cc1ccc(CN2C[C@H](C(=O)Nc3ncc(-c4nn[n-]n4)s3)CC2=O)cc1 ZINC000822237331 607024405 /nfs/dbraw/zinc/02/44/05/607024405.db2.gz PFTOGVPCIAGLAI-GFCCVEGCSA-N -1 1 383.437 1.619 20 0 GDADMM Cc1nc(CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c(C)s1 ZINC000822436383 607062827 /nfs/dbraw/zinc/06/28/27/607062827.db2.gz KTOHUDCYHOFZQD-SNVBAGLBSA-N -1 1 399.484 1.010 20 0 GDADMM Cc1nc(CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c(C)s1 ZINC000822436383 607062830 /nfs/dbraw/zinc/06/28/30/607062830.db2.gz KTOHUDCYHOFZQD-SNVBAGLBSA-N -1 1 399.484 1.010 20 0 GDADMM Cc1cccc(N2C[C@@H](C(=O)Nc3ncc(-c4nnn[n-]4)s3)CC2=O)c1C ZINC000822309263 607106500 /nfs/dbraw/zinc/10/65/00/607106500.db2.gz RYFBUAPQHLCRFC-NSHDSACASA-N -1 1 383.437 1.932 20 0 GDADMM Cc1cccc(N2C[C@@H](C(=O)Nc3ncc(-c4nn[n-]n4)s3)CC2=O)c1C ZINC000822309263 607106501 /nfs/dbraw/zinc/10/65/01/607106501.db2.gz RYFBUAPQHLCRFC-NSHDSACASA-N -1 1 383.437 1.932 20 0 GDADMM COc1cccc2c1CC[C@@H]2NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821877536 607129177 /nfs/dbraw/zinc/12/91/77/607129177.db2.gz LDCKEIZCKJYONP-HNNXBMFYSA-N -1 1 389.412 1.980 20 0 GDADMM COC(=O)[C@@]1(C)CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000821651599 607129261 /nfs/dbraw/zinc/12/92/61/607129261.db2.gz CCHVJEOZVOGUAZ-AWEZNQCLSA-N -1 1 385.833 1.094 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCOc2c(Cl)cccc21 ZINC000823601239 607156114 /nfs/dbraw/zinc/15/61/14/607156114.db2.gz XMJGHJRQEKDNEQ-UHFFFAOYSA-N -1 1 378.801 1.503 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCOc2c(Cl)cccc21 ZINC000823601239 607156116 /nfs/dbraw/zinc/15/61/16/607156116.db2.gz XMJGHJRQEKDNEQ-UHFFFAOYSA-N -1 1 378.801 1.503 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CCOC3(CCCC3)C2)cc1-c1nn[n-]n1 ZINC000821971021 607159776 /nfs/dbraw/zinc/15/97/76/607159776.db2.gz VZNCJZZGTXJCCY-UHFFFAOYSA-N -1 1 376.442 1.474 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(OC(F)F)c2ncccc12 ZINC000823136394 607209800 /nfs/dbraw/zinc/20/98/00/607209800.db2.gz YWTLYOSWEPNKEO-UHFFFAOYSA-N -1 1 387.310 1.247 20 0 GDADMM CC(C)(NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(Cl)c(Cl)c1 ZINC000819988041 607211822 /nfs/dbraw/zinc/21/18/22/607211822.db2.gz RCPAPFMNWYLKLE-UHFFFAOYSA-N -1 1 381.227 1.817 20 0 GDADMM COc1ccc(C)cc1-c1csc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)n1 ZINC000821782622 607215339 /nfs/dbraw/zinc/21/53/39/607215339.db2.gz IDYFOYOHWVUXKE-UHFFFAOYSA-N -1 1 397.424 1.537 20 0 GDADMM CC(C)(C)[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(F)cc1F ZINC000819897889 607222509 /nfs/dbraw/zinc/22/25/09/607222509.db2.gz ASEHMBDHYHTOFX-ZDUSSCGKSA-N -1 1 376.371 1.640 20 0 GDADMM COc1ccc(CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)[C@H](C)C2CC2)cc1 ZINC000821794469 607236912 /nfs/dbraw/zinc/23/69/12/607236912.db2.gz IAOIRQNKTUQJTG-GFCCVEGCSA-N -1 1 382.428 1.294 20 0 GDADMM CC(=O)N1CC[C@@H](NC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)[C@H](C)C1 ZINC000823973980 607772727 /nfs/dbraw/zinc/77/27/27/607772727.db2.gz NKONJBMWYDIQTB-BXUZGUMPSA-N -1 1 397.439 1.546 20 0 GDADMM CC(=O)N1CC[C@@H](NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)[C@H](C)C1 ZINC000823973980 607772728 /nfs/dbraw/zinc/77/27/28/607772728.db2.gz NKONJBMWYDIQTB-BXUZGUMPSA-N -1 1 397.439 1.546 20 0 GDADMM CC(C)Oc1cc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)ccn1 ZINC000824319443 607790999 /nfs/dbraw/zinc/79/09/99/607790999.db2.gz QJZMATQRQRMFCT-UHFFFAOYSA-N -1 1 392.416 1.667 20 0 GDADMM CC(C)Oc1cc(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)ccn1 ZINC000824319443 607791000 /nfs/dbraw/zinc/79/10/00/607791000.db2.gz QJZMATQRQRMFCT-UHFFFAOYSA-N -1 1 392.416 1.667 20 0 GDADMM O=C(CSCc1ccc(-c2nn[nH]n2)cc1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000826420031 607792720 /nfs/dbraw/zinc/79/27/20/607792720.db2.gz WFIVXMZLZXRBCE-CYBMUJFWSA-N -1 1 385.457 1.019 20 0 GDADMM CCN(CCc1nccs1)C(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000825428643 607835899 /nfs/dbraw/zinc/83/58/99/607835899.db2.gz RTQKOPONWRVZOY-UHFFFAOYSA-N -1 1 391.482 1.851 20 0 GDADMM CC(=O)N1CC[C@@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000823974169 607852623 /nfs/dbraw/zinc/85/26/23/607852623.db2.gz NVNMKTBKOKCZMS-NSHDSACASA-N -1 1 398.876 1.009 20 0 GDADMM C[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)[C@H]1COc2ccccc21 ZINC000824640215 607852677 /nfs/dbraw/zinc/85/26/77/607852677.db2.gz DCKCSMOTLPIJRL-IINYFYTJSA-N -1 1 389.412 1.849 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N(C)C[C@@H]1CCC[C@@H]1O ZINC000826327390 607863165 /nfs/dbraw/zinc/86/31/65/607863165.db2.gz GDQAJMIXBVRGOM-BBRMVZONSA-N -1 1 398.471 1.078 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N(C)C[C@@H]1CCC[C@@H]1O ZINC000826327390 607863166 /nfs/dbraw/zinc/86/31/66/607863166.db2.gz GDQAJMIXBVRGOM-BBRMVZONSA-N -1 1 398.471 1.078 20 0 GDADMM CC(=O)N(C)c1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000823966804 607867485 /nfs/dbraw/zinc/86/74/85/607867485.db2.gz ALNKGDTXBVNADD-UHFFFAOYSA-N -1 1 391.384 1.756 20 0 GDADMM CC(=O)N(C)c1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000823966804 607867486 /nfs/dbraw/zinc/86/74/86/607867486.db2.gz ALNKGDTXBVNADD-UHFFFAOYSA-N -1 1 391.384 1.756 20 0 GDADMM COCCOc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826163282 607867704 /nfs/dbraw/zinc/86/77/04/607867704.db2.gz NECGSAOCGSUCAR-UHFFFAOYSA-N -1 1 394.384 1.799 20 0 GDADMM COCCOc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826163282 607867705 /nfs/dbraw/zinc/86/77/05/607867705.db2.gz NECGSAOCGSUCAR-UHFFFAOYSA-N -1 1 394.384 1.799 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@H](C)[C@H]2COc3ccccc32)cc1-c1nn[n-]n1 ZINC000826229984 607870159 /nfs/dbraw/zinc/87/01/59/607870159.db2.gz ZGNFGIUHPSYXGM-NOZJJQNGSA-N -1 1 398.448 1.984 20 0 GDADMM COc1cccc(OC)c1OC[C@@H](O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000826217328 607875014 /nfs/dbraw/zinc/87/50/14/607875014.db2.gz ICHISUGHZDTHOS-NSHDSACASA-N -1 1 390.371 1.842 20 0 GDADMM COc1cccc(OC)c1OC[C@@H](O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000826217328 607875015 /nfs/dbraw/zinc/87/50/15/607875015.db2.gz ICHISUGHZDTHOS-NSHDSACASA-N -1 1 390.371 1.842 20 0 GDADMM OCCN(Cc1cnn(Cc2ccccc2)c1)c1cccc(-c2nnn[n-]2)n1 ZINC000826510103 607901234 /nfs/dbraw/zinc/90/12/34/607901234.db2.gz XZDHEJKTJMIVJT-UHFFFAOYSA-N -1 1 376.424 1.505 20 0 GDADMM OCCN(Cc1cnn(Cc2ccccc2)c1)c1cccc(-c2nn[n-]n2)n1 ZINC000826510103 607901235 /nfs/dbraw/zinc/90/12/35/607901235.db2.gz XZDHEJKTJMIVJT-UHFFFAOYSA-N -1 1 376.424 1.505 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@@H]1CCCC(C)(C)C1 ZINC000825000736 607906346 /nfs/dbraw/zinc/90/63/46/607906346.db2.gz UEQSJUMPACMPPL-UONOGXRCSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@@H]1CCCC(C)(C)C1 ZINC000825000736 607906347 /nfs/dbraw/zinc/90/63/47/607906347.db2.gz UEQSJUMPACMPPL-UONOGXRCSA-N -1 1 384.488 1.910 20 0 GDADMM Cc1oc(NC(=O)COC(=O)[C@@H]2CCc3n[nH]cc3C2)c(-c2nn[n-]n2)c1C ZINC000826342371 607960194 /nfs/dbraw/zinc/96/01/94/607960194.db2.gz IBAMMFZAOPHAPB-SNVBAGLBSA-N -1 1 385.384 1.086 20 0 GDADMM CC1(C)CCC(NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)(C(N)=O)CC1 ZINC000824803573 607976306 /nfs/dbraw/zinc/97/63/06/607976306.db2.gz WBPADXHZTXZMTM-UHFFFAOYSA-N -1 1 396.448 1.108 20 0 GDADMM O=C(CCC(=O)c1ccc2c(c1)OCCO2)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826404814 607996895 /nfs/dbraw/zinc/99/68/95/607996895.db2.gz MBASJZBJSINTGT-UHFFFAOYSA-N -1 1 395.375 1.945 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H](c1ccccc1F)N1CCOCC1 ZINC000826451254 607997830 /nfs/dbraw/zinc/99/78/30/607997830.db2.gz XROXAHOCWNYYJE-KRWDZBQOSA-N -1 1 398.398 1.723 20 0 GDADMM CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000824108983 607998343 /nfs/dbraw/zinc/99/83/43/607998343.db2.gz MAOXNBUSTZBSDL-LLVKDONJSA-N -1 1 392.441 1.821 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1CSCN1C(=O)C1CCCC1 ZINC000826451013 607998966 /nfs/dbraw/zinc/99/89/66/607998966.db2.gz MEUMMLWWUVZZPY-CYBMUJFWSA-N -1 1 388.453 1.603 20 0 GDADMM CN1C(=O)C[C@H](C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])[C@@H]1c1ccc(F)cc1 ZINC000826010504 607999336 /nfs/dbraw/zinc/99/93/36/607999336.db2.gz LGVCBBSLVHHJJR-GUYCJALGSA-N -1 1 396.382 1.870 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1CSCN1C(=O)c1ccccc1 ZINC000826450805 607999696 /nfs/dbraw/zinc/99/96/96/607999696.db2.gz DWMFREJEURLNDB-CQSZACIVSA-N -1 1 396.432 1.726 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)NCc2cnn(C)c2C)c1-c1nn[n-]n1 ZINC000826231356 608001056 /nfs/dbraw/zinc/00/10/56/608001056.db2.gz HZPKNEISXWAFGZ-UHFFFAOYSA-N -1 1 384.469 1.833 20 0 GDADMM CCc1onc(C)c1NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000825775976 608009105 /nfs/dbraw/zinc/00/91/05/608009105.db2.gz BKSULTSCSJMDIV-SNVBAGLBSA-N -1 1 398.431 1.258 20 0 GDADMM CCc1onc(C)c1NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000825775976 608009106 /nfs/dbraw/zinc/00/91/06/608009106.db2.gz BKSULTSCSJMDIV-SNVBAGLBSA-N -1 1 398.431 1.258 20 0 GDADMM CCC[C@H]1CN(C(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)CCO1 ZINC000825253838 608009838 /nfs/dbraw/zinc/00/98/38/608009838.db2.gz OHKAUAAZBCHYDI-AWEZNQCLSA-N -1 1 398.471 1.486 20 0 GDADMM CCC[C@H]1CN(C(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)CCO1 ZINC000825253838 608009839 /nfs/dbraw/zinc/00/98/39/608009839.db2.gz OHKAUAAZBCHYDI-AWEZNQCLSA-N -1 1 398.471 1.486 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Nc1nc2ccccn2n1 ZINC000826340517 608091395 /nfs/dbraw/zinc/09/13/95/608091395.db2.gz AXAZCNIABSBTDX-UHFFFAOYSA-N -1 1 375.352 1.854 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@H](C)c2nnc(C(C)C)[nH]2)cc1-c1nn[n-]n1 ZINC000826229805 608108960 /nfs/dbraw/zinc/10/89/60/608108960.db2.gz RZAQKFFOTRHJCJ-SSDOTTSWSA-N -1 1 389.445 1.422 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC000824077292 608111484 /nfs/dbraw/zinc/11/14/84/608111484.db2.gz AIOOWOAWIZLNSV-MFKMUULPSA-N -1 1 383.449 1.878 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC000824077292 608111485 /nfs/dbraw/zinc/11/14/85/608111485.db2.gz AIOOWOAWIZLNSV-MFKMUULPSA-N -1 1 383.449 1.878 20 0 GDADMM O=S(=O)(NC[C@H](O)CCc1ccccc1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826489006 608127141 /nfs/dbraw/zinc/12/71/41/608127141.db2.gz FIZNPEMDMFMYIM-CYBMUJFWSA-N -1 1 391.428 1.278 20 0 GDADMM O=S(=O)(NC[C@H](O)CCc1ccccc1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826489006 608127142 /nfs/dbraw/zinc/12/71/42/608127142.db2.gz FIZNPEMDMFMYIM-CYBMUJFWSA-N -1 1 391.428 1.278 20 0 GDADMM O=S(=O)(NCC1(Cc2ccc(F)cc2)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826490401 608154747 /nfs/dbraw/zinc/15/47/47/608154747.db2.gz UNKMDXNYSLVOLF-UHFFFAOYSA-N -1 1 388.428 1.702 20 0 GDADMM O=S(=O)(NCC1(Cc2ccc(F)cc2)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826490401 608154748 /nfs/dbraw/zinc/15/47/48/608154748.db2.gz UNKMDXNYSLVOLF-UHFFFAOYSA-N -1 1 388.428 1.702 20 0 GDADMM CN(CCc1cnccn1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825951004 608156010 /nfs/dbraw/zinc/15/60/10/608156010.db2.gz ZQLFZRVJLGJHEG-UHFFFAOYSA-N -1 1 379.833 1.173 20 0 GDADMM CN(CCc1cnccn1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825951004 608156011 /nfs/dbraw/zinc/15/60/11/608156011.db2.gz ZQLFZRVJLGJHEG-UHFFFAOYSA-N -1 1 379.833 1.173 20 0 GDADMM Cc1ccncc1[C@@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826315758 608157742 /nfs/dbraw/zinc/15/77/42/608157742.db2.gz SJALQVSFLAHDEK-SECBINFHSA-N -1 1 380.380 1.888 20 0 GDADMM Cc1c(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cnn1C(C)C ZINC000826234089 608163441 /nfs/dbraw/zinc/16/34/41/608163441.db2.gz HZJPBNQKFHFBHH-GFCCVEGCSA-N -1 1 396.459 1.093 20 0 GDADMM Cc1c(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cnn1C(C)C ZINC000826234089 608163443 /nfs/dbraw/zinc/16/34/43/608163443.db2.gz HZJPBNQKFHFBHH-GFCCVEGCSA-N -1 1 396.459 1.093 20 0 GDADMM C[C@@H](O)CNC(=O)c1cccc(Oc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000824706850 608183856 /nfs/dbraw/zinc/18/38/56/608183856.db2.gz KMOQZRODLDKATO-SSDOTTSWSA-N -1 1 380.817 1.880 20 0 GDADMM CC[C@@H](Oc1ccccc1C)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825159192 608210759 /nfs/dbraw/zinc/21/07/59/608210759.db2.gz LBQRYQHHXXVTSQ-CQSZACIVSA-N -1 1 398.471 1.729 20 0 GDADMM CC[C@@H](Oc1ccccc1C)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825159192 608210761 /nfs/dbraw/zinc/21/07/61/608210761.db2.gz LBQRYQHHXXVTSQ-CQSZACIVSA-N -1 1 398.471 1.729 20 0 GDADMM Cc1cccc(C)c1NCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826297014 608212361 /nfs/dbraw/zinc/21/23/61/608212361.db2.gz RTAQNNCWNPDDFG-UHFFFAOYSA-N -1 1 383.460 1.292 20 0 GDADMM Cc1cccc(C)c1NCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826297014 608212362 /nfs/dbraw/zinc/21/23/62/608212362.db2.gz RTAQNNCWNPDDFG-UHFFFAOYSA-N -1 1 383.460 1.292 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ncnc2c1cnn2C(C)(C)C ZINC000825937367 608270400 /nfs/dbraw/zinc/27/04/00/608270400.db2.gz BBWVHPJPTLKTGB-UHFFFAOYSA-N -1 1 396.463 1.136 20 0 GDADMM C[C@@H]1CCC[C@@H](N(C)C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000824927809 608341219 /nfs/dbraw/zinc/34/12/19/608341219.db2.gz QIEAGPMILQJJHY-VXGBXAGGSA-N -1 1 388.476 1.794 20 0 GDADMM C[C@@H]1CCC[C@@H](N(C)C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000824927809 608341221 /nfs/dbraw/zinc/34/12/21/608341221.db2.gz QIEAGPMILQJJHY-VXGBXAGGSA-N -1 1 388.476 1.794 20 0 GDADMM CC(C)C[C@H]1CCCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824244001 608350836 /nfs/dbraw/zinc/35/08/36/608350836.db2.gz OXDQWTMKJOZHSP-GFCCVEGCSA-N -1 1 388.476 1.794 20 0 GDADMM CC(C)C[C@H]1CCCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824244001 608350837 /nfs/dbraw/zinc/35/08/37/608350837.db2.gz OXDQWTMKJOZHSP-GFCCVEGCSA-N -1 1 388.476 1.794 20 0 GDADMM C[C@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)c1ccccc1 ZINC000824471066 608353127 /nfs/dbraw/zinc/35/31/27/608353127.db2.gz NXQAYWMQVTXXFF-NSHDSACASA-N -1 1 382.428 1.634 20 0 GDADMM C[C@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)c1ccccc1 ZINC000824471066 608353128 /nfs/dbraw/zinc/35/31/28/608353128.db2.gz NXQAYWMQVTXXFF-NSHDSACASA-N -1 1 382.428 1.634 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCC(C2CC2)C2CC2)n1 ZINC000824147138 608354235 /nfs/dbraw/zinc/35/42/35/608354235.db2.gz ABYXPBAKYNIEAC-UHFFFAOYSA-N -1 1 386.460 1.309 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCC(C2CC2)C2CC2)n1 ZINC000824147138 608354237 /nfs/dbraw/zinc/35/42/37/608354237.db2.gz ABYXPBAKYNIEAC-UHFFFAOYSA-N -1 1 386.460 1.309 20 0 GDADMM C[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C[C@@H](C)S1 ZINC000824970870 608354694 /nfs/dbraw/zinc/35/46/94/608354694.db2.gz YIAVFBBDRHQKEB-NXEZZACHSA-N -1 1 392.489 1.109 20 0 GDADMM C[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C[C@@H](C)S1 ZINC000824970870 608354695 /nfs/dbraw/zinc/35/46/95/608354695.db2.gz YIAVFBBDRHQKEB-NXEZZACHSA-N -1 1 392.489 1.109 20 0 GDADMM O=C(c1cc2ccccc2[nH]1)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826470341 608410598 /nfs/dbraw/zinc/41/05/98/608410598.db2.gz MMHZTNHILWNLHE-UHFFFAOYSA-N -1 1 375.396 1.100 20 0 GDADMM O=C(c1cc2ccccc2[nH]1)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826470341 608410599 /nfs/dbraw/zinc/41/05/99/608410599.db2.gz MMHZTNHILWNLHE-UHFFFAOYSA-N -1 1 375.396 1.100 20 0 GDADMM Fc1ccc(N2CCN(c3c4ccccc4nnc3-c3nnn[n-]3)CC2)nc1 ZINC000826375527 608413926 /nfs/dbraw/zinc/41/39/26/608413926.db2.gz QZACLBBXWJJSCY-UHFFFAOYSA-N -1 1 377.387 1.671 20 0 GDADMM Fc1ccc(N2CCN(c3c4ccccc4nnc3-c3nn[n-]n3)CC2)nc1 ZINC000826375527 608413928 /nfs/dbraw/zinc/41/39/28/608413928.db2.gz QZACLBBXWJJSCY-UHFFFAOYSA-N -1 1 377.387 1.671 20 0 GDADMM C[C@H]1CCOCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824967665 608424374 /nfs/dbraw/zinc/42/43/74/608424374.db2.gz MEPFZBKRDKFQGU-VIFPVBQESA-N -1 1 391.375 1.685 20 0 GDADMM O=C(CNc1ccc(-c2nnn[n-]2)nn1)N1CCC(Cc2ccccc2)CC1 ZINC000826414371 608428271 /nfs/dbraw/zinc/42/82/71/608428271.db2.gz SNKLKGXJXXPNHW-UHFFFAOYSA-N -1 1 378.440 1.550 20 0 GDADMM O=C(CNc1ccc(-c2nn[n-]n2)nn1)N1CCC(Cc2ccccc2)CC1 ZINC000826414371 608428273 /nfs/dbraw/zinc/42/82/73/608428273.db2.gz SNKLKGXJXXPNHW-UHFFFAOYSA-N -1 1 378.440 1.550 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000826328548 608491661 /nfs/dbraw/zinc/49/16/61/608491661.db2.gz VIRKVCQSQNIBQK-GNXNZQSNSA-N -1 1 398.471 1.531 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000826328548 608491662 /nfs/dbraw/zinc/49/16/62/608491662.db2.gz VIRKVCQSQNIBQK-GNXNZQSNSA-N -1 1 398.471 1.531 20 0 GDADMM Cc1ccc(-c2nnn[n-]2)nc1N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000826280805 608541934 /nfs/dbraw/zinc/54/19/34/608541934.db2.gz QRWIIOFNNATWPH-UHFFFAOYSA-N -1 1 385.453 1.081 20 0 GDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000826280805 608541936 /nfs/dbraw/zinc/54/19/36/608541936.db2.gz QRWIIOFNNATWPH-UHFFFAOYSA-N -1 1 385.453 1.081 20 0 GDADMM OCc1ccc(CN2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)o1 ZINC000826510164 608549378 /nfs/dbraw/zinc/54/93/78/608549378.db2.gz AOOSYGMKNXKXFP-UHFFFAOYSA-N -1 1 397.395 1.522 20 0 GDADMM CCCc1nc(C)c(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)s1 ZINC000825352749 608556027 /nfs/dbraw/zinc/55/60/27/608556027.db2.gz PUXWHGJDBKRALR-UHFFFAOYSA-N -1 1 389.489 1.594 20 0 GDADMM CCCc1nc(C)c(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)s1 ZINC000825352749 608556028 /nfs/dbraw/zinc/55/60/28/608556028.db2.gz PUXWHGJDBKRALR-UHFFFAOYSA-N -1 1 389.489 1.594 20 0 GDADMM CC[C@H](OC1CCCCC1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825152843 608556243 /nfs/dbraw/zinc/55/62/43/608556243.db2.gz CYJGQLPMTJMWDJ-AWEZNQCLSA-N -1 1 390.492 1.691 20 0 GDADMM CC[C@H](OC1CCCCC1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825152843 608556245 /nfs/dbraw/zinc/55/62/45/608556245.db2.gz CYJGQLPMTJMWDJ-AWEZNQCLSA-N -1 1 390.492 1.691 20 0 GDADMM CCCn1nc(C)c(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1C ZINC000825363303 608559232 /nfs/dbraw/zinc/55/92/32/608559232.db2.gz XCPKWNVALKIBAX-UHFFFAOYSA-N -1 1 386.464 1.100 20 0 GDADMM CCCn1nc(C)c(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1C ZINC000825363303 608559233 /nfs/dbraw/zinc/55/92/33/608559233.db2.gz XCPKWNVALKIBAX-UHFFFAOYSA-N -1 1 386.464 1.100 20 0 GDADMM CN(C[C@H](O)C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825902687 608568739 /nfs/dbraw/zinc/56/87/39/608568739.db2.gz YBYKGDCMYLOUPS-VIFPVBQESA-N -1 1 385.755 1.064 20 0 GDADMM CCCOc1ccc(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000825339138 608615039 /nfs/dbraw/zinc/61/50/39/608615039.db2.gz ONBTUXABMUORKF-UHFFFAOYSA-N -1 1 385.432 1.715 20 0 GDADMM CCCOc1ccc(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000825339138 608615040 /nfs/dbraw/zinc/61/50/40/608615040.db2.gz ONBTUXABMUORKF-UHFFFAOYSA-N -1 1 385.432 1.715 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@@H]1CCO[C@H](C)C1 ZINC000826328125 608828933 /nfs/dbraw/zinc/82/89/33/608828933.db2.gz GWQGCMJLYDFOSP-ZWNOBZJWSA-N -1 1 384.444 1.143 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@@H]1CCO[C@H](C)C1 ZINC000826328125 608828935 /nfs/dbraw/zinc/82/89/35/608828935.db2.gz GWQGCMJLYDFOSP-ZWNOBZJWSA-N -1 1 384.444 1.143 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1nc2ccccc2[nH]1 ZINC000825001042 608840103 /nfs/dbraw/zinc/84/01/03/608840103.db2.gz WOCOIRBRIDFWOF-GFCCVEGCSA-N -1 1 376.428 1.244 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1nc2ccccc2[nH]1 ZINC000825001042 608840104 /nfs/dbraw/zinc/84/01/04/608840104.db2.gz WOCOIRBRIDFWOF-GFCCVEGCSA-N -1 1 376.428 1.244 20 0 GDADMM CCOC(=O)c1c(C)c(C)sc1NC(=O)Cn1ccnc1-c1nnn[n-]1 ZINC000825561000 608891687 /nfs/dbraw/zinc/89/16/87/608891687.db2.gz ZIPASKQVVZFQLK-UHFFFAOYSA-N -1 1 375.414 1.557 20 0 GDADMM CCOC(=O)c1c(C)c(C)sc1NC(=O)Cn1ccnc1-c1nn[n-]n1 ZINC000825561000 608891688 /nfs/dbraw/zinc/89/16/88/608891688.db2.gz ZIPASKQVVZFQLK-UHFFFAOYSA-N -1 1 375.414 1.557 20 0 GDADMM Cc1nc(S[C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)[n-]c(=O)c1C ZINC000826327535 609180630 /nfs/dbraw/zinc/18/06/30/609180630.db2.gz LCMHBDYGYXOBCH-JTQLQIEISA-N -1 1 389.466 1.938 20 0 GDADMM Cc1cc(C)n(CC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)n1 ZINC000826265288 609291399 /nfs/dbraw/zinc/29/13/99/609291399.db2.gz SRYVEXYFIWEZHJ-UHFFFAOYSA-N -1 1 381.375 1.644 20 0 GDADMM CC[C@H]1CCC[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1 ZINC000825194432 609301941 /nfs/dbraw/zinc/30/19/41/609301941.db2.gz QQUSJRQACXIIMW-RYUDHWBXSA-N -1 1 375.481 1.715 20 0 GDADMM CC[C@H]1CCC[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C1 ZINC000825194432 609301943 /nfs/dbraw/zinc/30/19/43/609301943.db2.gz QQUSJRQACXIIMW-RYUDHWBXSA-N -1 1 375.481 1.715 20 0 GDADMM C[C@H]1CCC[C@H](CCNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1 ZINC000824925028 609301981 /nfs/dbraw/zinc/30/19/81/609301981.db2.gz AHQMYPZGNVFKMP-QWHCGFSZSA-N -1 1 389.508 1.962 20 0 GDADMM C[C@H]1CCC[C@H](CCNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C1 ZINC000824925028 609301982 /nfs/dbraw/zinc/30/19/82/609301982.db2.gz AHQMYPZGNVFKMP-QWHCGFSZSA-N -1 1 389.508 1.962 20 0 GDADMM COC(=O)[C@H]1CCCCCN1C(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000826133466 609302872 /nfs/dbraw/zinc/30/28/72/609302872.db2.gz MKBGJISKENNQAZ-LLVKDONJSA-N -1 1 392.441 1.247 20 0 GDADMM Cc1cccc2c1CC[C@H]2NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826305035 609303480 /nfs/dbraw/zinc/30/34/80/609303480.db2.gz IBGUZUSTYLIDOQ-CQSZACIVSA-N -1 1 395.471 1.742 20 0 GDADMM Cc1cccc2c1CC[C@H]2NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826305035 609303481 /nfs/dbraw/zinc/30/34/81/609303481.db2.gz IBGUZUSTYLIDOQ-CQSZACIVSA-N -1 1 395.471 1.742 20 0 GDADMM CCC(O)(CC)CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825148709 609358003 /nfs/dbraw/zinc/35/80/03/609358003.db2.gz SJJTWUCJWYOYOP-UHFFFAOYSA-N -1 1 388.407 1.864 20 0 GDADMM COC1(CNC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CCC1 ZINC000826143729 609359284 /nfs/dbraw/zinc/35/92/84/609359284.db2.gz NEJWCFUTWNVMFE-UHFFFAOYSA-N -1 1 386.391 1.882 20 0 GDADMM CN(Cc1cnccn1)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825992286 609363760 /nfs/dbraw/zinc/36/37/60/609363760.db2.gz SYGCXPLMWJBCIJ-UHFFFAOYSA-N -1 1 394.374 1.645 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N1CC[C@@H](CCO)C1 ZINC000826458034 609363917 /nfs/dbraw/zinc/36/39/17/609363917.db2.gz ABSDMGQFTHCDCS-NSHDSACASA-N -1 1 386.391 1.428 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N[C@@H]1CCCC[C@H]1O ZINC000826458550 609365134 /nfs/dbraw/zinc/36/51/34/609365134.db2.gz UYSFKXCMSZIOEA-DGCLKSJQSA-N -1 1 386.391 1.617 20 0 GDADMM C[C@H]1COCCN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1 ZINC000825006785 609365710 /nfs/dbraw/zinc/36/57/10/609365710.db2.gz PSSCXQXJILUYGA-LLVKDONJSA-N -1 1 386.391 1.692 20 0 GDADMM CC(=O)NCCN(Cc1ccc(-c2nnn[n-]2)o1)[C@H](C)C(=O)OC(C)(C)C ZINC000823994222 609368017 /nfs/dbraw/zinc/36/80/17/609368017.db2.gz DPSGSVKHLHAKRP-LLVKDONJSA-N -1 1 378.433 1.128 20 0 GDADMM CC(=O)NCCN(Cc1ccc(-c2nn[n-]n2)o1)[C@H](C)C(=O)OC(C)(C)C ZINC000823994222 609368021 /nfs/dbraw/zinc/36/80/21/609368021.db2.gz DPSGSVKHLHAKRP-LLVKDONJSA-N -1 1 378.433 1.128 20 0 GDADMM Cc1c(F)ccc(C(=O)[O-])c1NS(=O)(=O)c1ccccc1-c1nn[nH]n1 ZINC000826240567 609371318 /nfs/dbraw/zinc/37/13/18/609371318.db2.gz ACPJLYAAYVVXKE-UHFFFAOYSA-N -1 1 377.357 1.813 20 0 GDADMM Cc1c(F)ccc(C(=O)[O-])c1NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826240768 609371820 /nfs/dbraw/zinc/37/18/20/609371820.db2.gz HBSKHIWIYWGPOC-UHFFFAOYSA-N -1 1 377.357 1.813 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@H](CO)c2sccc2C)cc1-c1nn[n-]n1 ZINC000826229840 609406581 /nfs/dbraw/zinc/40/65/81/609406581.db2.gz TXMKZAHYMASPSQ-SNVBAGLBSA-N -1 1 392.466 1.523 20 0 GDADMM CC(C)[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(Cl)cc1F ZINC000824193049 609428180 /nfs/dbraw/zinc/42/81/80/609428180.db2.gz QYUPVWNSWDURRR-CYBMUJFWSA-N -1 1 378.799 1.764 20 0 GDADMM Cc1nc2c(c(N3CCN(c4nccnc4-c4nnn[n-]4)C[C@@H]3C)n1)CCCC2 ZINC000826328479 609438052 /nfs/dbraw/zinc/43/80/52/609438052.db2.gz SGBLONPMWJZEET-LBPRGKRZSA-N -1 1 392.471 1.349 20 0 GDADMM Cc1nc2c(c(N3CCN(c4nccnc4-c4nn[n-]n4)C[C@@H]3C)n1)CCCC2 ZINC000826328479 609438053 /nfs/dbraw/zinc/43/80/53/609438053.db2.gz SGBLONPMWJZEET-LBPRGKRZSA-N -1 1 392.471 1.349 20 0 GDADMM Cc1onc(CC(=O)N(Cc2ccccc2)[C@@H](CO)C2CC2)c1-c1nnn[n-]1 ZINC000826343426 609470238 /nfs/dbraw/zinc/47/02/38/609470238.db2.gz ADMZFGGOYWJFMH-INIZCTEOSA-N -1 1 382.424 1.505 20 0 GDADMM Cc1onc(CC(=O)N(Cc2ccccc2)[C@@H](CO)C2CC2)c1-c1nn[n-]n1 ZINC000826343426 609470240 /nfs/dbraw/zinc/47/02/40/609470240.db2.gz ADMZFGGOYWJFMH-INIZCTEOSA-N -1 1 382.424 1.505 20 0 GDADMM CCCCCN(CC(N)=O)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825271943 609579341 /nfs/dbraw/zinc/57/93/41/609579341.db2.gz RQGIVRRDQSVZBZ-UHFFFAOYSA-N -1 1 386.865 1.186 20 0 GDADMM CCCCCN(CC(N)=O)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825271943 609579344 /nfs/dbraw/zinc/57/93/44/609579344.db2.gz RQGIVRRDQSVZBZ-UHFFFAOYSA-N -1 1 386.865 1.186 20 0 GDADMM O=S(=O)([N-]C1CCN(S(=O)(=O)C2CC2)CC1)c1cc2ccccc2o1 ZINC000531006187 649985441 /nfs/dbraw/zinc/98/54/41/649985441.db2.gz KBNPYPPXLOSRKZ-UHFFFAOYSA-N -1 1 384.479 1.668 20 0 GDADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCc2ccccc2CO)c(F)c1 ZINC000532775315 650033139 /nfs/dbraw/zinc/03/31/39/650033139.db2.gz IYSTYDWARBIYHR-UHFFFAOYSA-N -1 1 388.442 1.168 20 0 GDADMM C[C@@H](C[N-]S(=O)(=O)c1cc(Br)sc1Cl)S(C)(=O)=O ZINC000533608161 650210502 /nfs/dbraw/zinc/21/05/02/650210502.db2.gz OEIIRQVSFGLBMV-YFKPBYRVSA-N -1 1 396.737 1.875 20 0 GDADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(C)=O)c(C)c2)c1 ZINC000533896243 650216081 /nfs/dbraw/zinc/21/60/81/650216081.db2.gz RKTPASTVEHYYBP-UHFFFAOYSA-N -1 1 382.463 1.907 20 0 GDADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)co1 ZINC000534402559 650219501 /nfs/dbraw/zinc/21/95/01/650219501.db2.gz KQIYVVMOPAKBCN-UHFFFAOYSA-N -1 1 385.829 1.795 20 0 GDADMM CC(C)CSCCNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000534409821 650220393 /nfs/dbraw/zinc/22/03/93/650220393.db2.gz GGPFUPZUSHOZGP-UHFFFAOYSA-N -1 1 384.520 1.865 20 0 GDADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(S(C)(=O)=O)c2)cc1 ZINC000534687218 650228668 /nfs/dbraw/zinc/22/86/68/650228668.db2.gz YFWKXKUCSRMNAL-UHFFFAOYSA-N -1 1 383.447 1.986 20 0 GDADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CCO[C@H]2C2CC2)c(F)c1 ZINC000534820454 650231744 /nfs/dbraw/zinc/23/17/44/650231744.db2.gz KYUGSLLVVBNCGR-OCCSQVGLSA-N -1 1 378.447 1.043 20 0 GDADMM O=C(CSc1nncs1)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000539986255 650345681 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CN(C)c1cc(Br)cc(C(=O)N2CCOC[C@@H]2c2nn[n-]n2)c1 ZINC000913498369 660083919 /nfs/dbraw/zinc/08/39/19/660083919.db2.gz PFESTWMNFJDWFF-GFCCVEGCSA-N -1 1 381.234 1.242 20 0 GDADMM O=C([C@H]1Cc2cc(Br)ccc2O1)N1CCC(c2nn[n-]n2)CC1 ZINC000913745335 660095050 /nfs/dbraw/zinc/09/50/50/660095050.db2.gz YXIAIMFQEPYMMW-CYBMUJFWSA-N -1 1 378.230 1.672 20 0 GDADMM COc1nn2cc(Br)cnc2c1S(=O)(=O)[N-]CCC1CCC1 ZINC000914238948 660131040 /nfs/dbraw/zinc/13/10/40/660131040.db2.gz NVHKLGJRZWFDIU-UHFFFAOYSA-N -1 1 389.275 1.969 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-]C[C@@]2(O)CCO[C@H]2C)c1F ZINC000915070172 660160737 /nfs/dbraw/zinc/16/07/37/660160737.db2.gz SWMTXRGLOLDQSW-SDBXPKJASA-N -1 1 398.250 1.415 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2C[C@@H](C)OC2=O)c1F ZINC000915657295 660175750 /nfs/dbraw/zinc/17/57/50/660175750.db2.gz LGYSYJWHPGCYLO-HTRCEHHLSA-N -1 1 382.207 1.579 20 0 GDADMM C[C@H](Cn1ccnc1)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000385794812 677677362 /nfs/dbraw/zinc/67/73/62/677677362.db2.gz ORNJHFJLFOZYCR-SECBINFHSA-N -1 1 389.231 1.921 20 0 GDADMM C[C@@H](NC(=O)N[C@@]1(C(=O)[O-])CCOC1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000929032723 939794788 /nfs/dbraw/zinc/79/47/88/939794788.db2.gz YOYYLIYZGDPOLO-YJYMSZOUSA-N -1 1 394.447 1.181 20 0 GDADMM C[C@](NC(=O)CCN1CCN(c2ccccn2)CC1)(C(=O)[O-])c1ccccc1 ZINC000663140783 939857279 /nfs/dbraw/zinc/85/72/79/939857279.db2.gz HOQLHIJNRMKUDL-OAQYLSRUSA-N -1 1 382.464 1.710 20 0 GDADMM Cn1nccc1[C@H](NCCN1c2cccc3cccc(c23)S1(=O)=O)C(=O)[O-] ZINC001601034698 970917636 /nfs/dbraw/zinc/91/76/36/970917636.db2.gz QNCDELCFFRIXCK-KRWDZBQOSA-N -1 1 386.433 1.498 20 0 GDADMM O=C([O-])[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc3cncn3c2)C1=O ZINC001611334132 970997083 /nfs/dbraw/zinc/99/70/83/970997083.db2.gz NLBQOIGUSOCCMW-IRXDYDNUSA-N -1 1 378.388 1.491 20 0 GDADMM CCNC(=O)N1CCc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)cc21 ZINC000736575268 944846569 /nfs/dbraw/zinc/84/65/69/944846569.db2.gz DWSFXQKGDHBTTE-UHFFFAOYSA-N -1 1 378.396 1.606 20 0 GDADMM CCNC(=O)N1CCc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)cc21 ZINC000736575268 944846580 /nfs/dbraw/zinc/84/65/80/944846580.db2.gz DWSFXQKGDHBTTE-UHFFFAOYSA-N -1 1 378.396 1.606 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)c3ccns3)[C@@H](C)C2)n1 ZINC001571261145 945423396 /nfs/dbraw/zinc/42/33/96/945423396.db2.gz BBBIWOVETPADCK-QWRGUYRKSA-N -1 1 385.457 1.527 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)c3ccns3)[C@@H](C)C2)n1 ZINC001571261145 945423399 /nfs/dbraw/zinc/42/33/99/945423399.db2.gz BBBIWOVETPADCK-QWRGUYRKSA-N -1 1 385.457 1.527 20 0 GDADMM Cc1ncc(C(=O)NCC2CC(Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)s1 ZINC001571261245 945424723 /nfs/dbraw/zinc/42/47/23/945424723.db2.gz BWMLTCMAQCSGBB-UHFFFAOYSA-N -1 1 385.457 1.351 20 0 GDADMM Cc1ncc(C(=O)NCC2CC(Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)s1 ZINC001571261245 945424730 /nfs/dbraw/zinc/42/47/30/945424730.db2.gz BWMLTCMAQCSGBB-UHFFFAOYSA-N -1 1 385.457 1.351 20 0 GDADMM C[C@@H]1CN(C(=O)c2cncs2)CC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571261391 945427791 /nfs/dbraw/zinc/42/77/91/945427791.db2.gz DPOUHKVKIFEWFR-MNOVXSKESA-N -1 1 385.457 1.324 20 0 GDADMM C[C@@H]1CN(C(=O)c2cncs2)CC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571261391 945427803 /nfs/dbraw/zinc/42/78/03/945427803.db2.gz DPOUHKVKIFEWFR-MNOVXSKESA-N -1 1 385.457 1.324 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571261851 945431330 /nfs/dbraw/zinc/43/13/30/945431330.db2.gz KMSRTUHAXDCKHH-JTQLQIEISA-N -1 1 385.457 1.245 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571261851 945431332 /nfs/dbraw/zinc/43/13/32/945431332.db2.gz KMSRTUHAXDCKHH-JTQLQIEISA-N -1 1 385.457 1.245 20 0 GDADMM Cc1nsc(NCC2CC(NC(=O)c3ccc(C)nn3)C2)c1-c1nn[n-]n1 ZINC001571263064 945449406 /nfs/dbraw/zinc/44/94/06/945449406.db2.gz GTXNQOILLGWQCD-UHFFFAOYSA-N -1 1 385.457 1.351 20 0 GDADMM Cc1nsc(N2CCC[C@H](CNC(=O)c3cncnc3)C2)c1-c1nn[n-]n1 ZINC001571263130 945451102 /nfs/dbraw/zinc/45/11/02/945451102.db2.gz IDMMUNSYRBNOMW-LLVKDONJSA-N -1 1 385.457 1.068 20 0 GDADMM Cc1ncsc1CCC(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571263383 945457396 /nfs/dbraw/zinc/45/73/96/945457396.db2.gz OUNYOAVPQISAKA-LLVKDONJSA-N -1 1 385.457 1.067 20 0 GDADMM Cc1ncsc1CCC(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571263383 945457402 /nfs/dbraw/zinc/45/74/02/945457402.db2.gz OUNYOAVPQISAKA-LLVKDONJSA-N -1 1 385.457 1.067 20 0 GDADMM Cc1ncsc1C(=O)N1C[C@H](Nc2nccnc2-c2nnn[n-]2)C(C)(C)C1 ZINC001571263395 945458319 /nfs/dbraw/zinc/45/83/19/945458319.db2.gz PACBQDSZWKFEED-JTQLQIEISA-N -1 1 385.457 1.384 20 0 GDADMM Cc1ncsc1C(=O)N1C[C@H](Nc2nccnc2-c2nn[n-]n2)C(C)(C)C1 ZINC001571263395 945458324 /nfs/dbraw/zinc/45/83/24/945458324.db2.gz PACBQDSZWKFEED-JTQLQIEISA-N -1 1 385.457 1.384 20 0 GDADMM Cc1nsc(N[C@H]2CCN(C(=O)c3ccnc(C)n3)[C@@H]2C)c1-c1nn[n-]n1 ZINC001571263483 945459352 /nfs/dbraw/zinc/45/93/52/945459352.db2.gz RHLUUGIOJDWHHU-KOLCDFICSA-N -1 1 385.457 1.445 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)c3nccs3)[C@H](C)C2)n1 ZINC001571263610 945463344 /nfs/dbraw/zinc/46/33/44/945463344.db2.gz UXNMCGFAWADJJJ-GHMZBOCLSA-N -1 1 385.457 1.527 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)c3nccs3)[C@H](C)C2)n1 ZINC001571263610 945463349 /nfs/dbraw/zinc/46/33/49/945463349.db2.gz UXNMCGFAWADJJJ-GHMZBOCLSA-N -1 1 385.457 1.527 20 0 GDADMM Cc1nsc(C)c1C(=O)N1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C[C@H]1C ZINC001571263872 945469387 /nfs/dbraw/zinc/46/93/87/945469387.db2.gz YTJGZIXBRJIQJX-KCJUWKMLSA-N -1 1 385.457 1.445 20 0 GDADMM Cc1nsc(C)c1C(=O)N1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C[C@H]1C ZINC001571263872 945469393 /nfs/dbraw/zinc/46/93/93/945469393.db2.gz YTJGZIXBRJIQJX-KCJUWKMLSA-N -1 1 385.457 1.445 20 0 GDADMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1nc(N2CCCC2)ncc1Cl ZINC001571265332 945506784 /nfs/dbraw/zinc/50/67/84/945506784.db2.gz HKIHHZYMADJXCP-UHFFFAOYSA-N -1 1 385.819 1.235 20 0 GDADMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1nc(N2CCCC2)ncc1Cl ZINC001571265332 945506791 /nfs/dbraw/zinc/50/67/91/945506791.db2.gz HKIHHZYMADJXCP-UHFFFAOYSA-N -1 1 385.819 1.235 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](NC(=O)c3cc(F)ccc3F)C2)n1 ZINC001571267187 945563471 /nfs/dbraw/zinc/56/34/71/945563471.db2.gz MABASQOFFJUFNZ-LLVKDONJSA-N -1 1 386.366 1.252 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)c3cc(F)ccc3F)C2)n1 ZINC001571267187 945563477 /nfs/dbraw/zinc/56/34/77/945563477.db2.gz MABASQOFFJUFNZ-LLVKDONJSA-N -1 1 386.366 1.252 20 0 GDADMM O=C(NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccc(F)cc1F ZINC001571267294 945566514 /nfs/dbraw/zinc/56/65/14/945566514.db2.gz PPPSBTZHTCRMTB-JTQLQIEISA-N -1 1 386.366 1.191 20 0 GDADMM O=C(NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccc(F)cc1F ZINC001571267294 945566523 /nfs/dbraw/zinc/56/65/23/945566523.db2.gz PPPSBTZHTCRMTB-JTQLQIEISA-N -1 1 386.366 1.191 20 0 GDADMM CC(C)(F)C(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1nccnc1-c1nnn[n-]1 ZINC001571268393 945594415 /nfs/dbraw/zinc/59/44/15/945594415.db2.gz FQUMYKXMMLZYBI-RVMXOQNASA-N -1 1 386.435 1.078 20 0 GDADMM CC(C)(F)C(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1nccnc1-c1nn[n-]n1 ZINC001571268393 945594420 /nfs/dbraw/zinc/59/44/20/945594420.db2.gz FQUMYKXMMLZYBI-RVMXOQNASA-N -1 1 386.435 1.078 20 0 GDADMM O=C(N1CCC[C@@H]2[C@H]1CCN2c1nccnc1-c1nnn[n-]1)C1(F)CCCC1 ZINC001571268403 945595424 /nfs/dbraw/zinc/59/54/24/945595424.db2.gz FXPDCGIGCBNACF-CHWSQXEVSA-N -1 1 386.435 1.509 20 0 GDADMM O=C(N1CCC[C@@H]2[C@H]1CCN2c1nccnc1-c1nn[n-]n1)C1(F)CCCC1 ZINC001571268403 945595430 /nfs/dbraw/zinc/59/54/30/945595430.db2.gz FXPDCGIGCBNACF-CHWSQXEVSA-N -1 1 386.435 1.509 20 0 GDADMM CCC1(CC)[C@H](OC)C[C@@H]1N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820958453 945598291 /nfs/dbraw/zinc/59/82/91/945598291.db2.gz VMYONSNASJHHRE-UONOGXRCSA-N -1 1 380.474 1.476 20 0 GDADMM CCC1(CC)[C@H](OC)C[C@@H]1N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820958453 945598299 /nfs/dbraw/zinc/59/82/99/945598299.db2.gz VMYONSNASJHHRE-UONOGXRCSA-N -1 1 380.474 1.476 20 0 GDADMM O=C(N1CC[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1)C1(CF)CCC1 ZINC001571269302 945617230 /nfs/dbraw/zinc/61/72/30/945617230.db2.gz UZVGFRYOZNSQLJ-QGZVFWFLSA-N -1 1 386.435 1.225 20 0 GDADMM O=C(N1CC[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1)C1(CF)CCC1 ZINC001571269302 945617234 /nfs/dbraw/zinc/61/72/34/945617234.db2.gz UZVGFRYOZNSQLJ-QGZVFWFLSA-N -1 1 386.435 1.225 20 0 GDADMM COc1ccsc1C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571269650 945623052 /nfs/dbraw/zinc/62/30/52/945623052.db2.gz BONHDDHIEBSSMB-JTQLQIEISA-N -1 1 386.441 1.126 20 0 GDADMM COc1ccsc1C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571269650 945623055 /nfs/dbraw/zinc/62/30/55/945623055.db2.gz BONHDDHIEBSSMB-JTQLQIEISA-N -1 1 386.441 1.126 20 0 GDADMM COc1ccc2c(c1)OC[C@@H](NC(=O)NCc1ccc(-c3nn[n-]n3)s1)C2 ZINC001571269701 945623630 /nfs/dbraw/zinc/62/36/30/945623630.db2.gz CLCURKKAJUGFOY-NSHDSACASA-N -1 1 386.437 1.740 20 0 GDADMM O=C(c1csnn1)N1CCCCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571269855 945625400 /nfs/dbraw/zinc/62/54/00/945625400.db2.gz FHGPZIVULGFEDD-SNVBAGLBSA-N -1 1 386.445 1.005 20 0 GDADMM O=C(c1csnn1)N1CCCCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571269855 945625409 /nfs/dbraw/zinc/62/54/09/945625409.db2.gz FHGPZIVULGFEDD-SNVBAGLBSA-N -1 1 386.445 1.005 20 0 GDADMM O=C(C[C@H]1CCCO1)N[C@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001571272453 945663784 /nfs/dbraw/zinc/66/37/84/945663784.db2.gz FDVRZDMMHKHXEB-MGPQQGTHSA-N -1 1 386.460 1.313 20 0 GDADMM O=C(C[C@H]1CCCO1)N[C@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001571272453 945663793 /nfs/dbraw/zinc/66/37/93/945663793.db2.gz FDVRZDMMHKHXEB-MGPQQGTHSA-N -1 1 386.460 1.313 20 0 GDADMM O=C(COC1CCCC1)N1CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571272827 945670981 /nfs/dbraw/zinc/67/09/81/945670981.db2.gz JCJBOQZWKLUYIW-ZDUSSCGKSA-N -1 1 386.460 1.409 20 0 GDADMM O=C(COC1CCCC1)N1CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571272827 945670991 /nfs/dbraw/zinc/67/09/91/945670991.db2.gz JCJBOQZWKLUYIW-ZDUSSCGKSA-N -1 1 386.460 1.409 20 0 GDADMM Cc1nsc(N(C)C[C@H]2CCCN2C(=O)c2cccn2C)c1-c1nn[n-]n1 ZINC001571272775 945671208 /nfs/dbraw/zinc/67/12/08/945671208.db2.gz ZSZUORORXCQZQK-GFCCVEGCSA-N -1 1 386.485 1.711 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC2CCN(C(=O)[C@H]3CCO[C@H](C)C3)CC2)n1 ZINC001571272884 945673901 /nfs/dbraw/zinc/67/39/01/945673901.db2.gz KAAQDAYEEKUCRH-OLZOCXBDSA-N -1 1 386.460 1.183 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC2CCN(C(=O)[C@H]3CCO[C@H](C)C3)CC2)n1 ZINC001571272884 945673905 /nfs/dbraw/zinc/67/39/05/945673905.db2.gz KAAQDAYEEKUCRH-OLZOCXBDSA-N -1 1 386.460 1.183 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@@H](NC(=O)C[C@@H]3CC(C)(C)CO3)C2)n1 ZINC001571272901 945674175 /nfs/dbraw/zinc/67/41/75/945674175.db2.gz KMKMUFZAXREPHC-FRRDWIJNSA-N -1 1 386.460 1.229 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@@H](NC(=O)C[C@@H]3CC(C)(C)CO3)C2)n1 ZINC001571272901 945674179 /nfs/dbraw/zinc/67/41/79/945674179.db2.gz KMKMUFZAXREPHC-FRRDWIJNSA-N -1 1 386.460 1.229 20 0 GDADMM O=C(C[C@@H]1CCCOC1)N1CC[C@@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001571272989 945675839 /nfs/dbraw/zinc/67/58/39/945675839.db2.gz MHVLRUSOWLGMNE-KGLIPLIRSA-N -1 1 386.460 1.124 20 0 GDADMM O=C(C[C@@H]1CCCOC1)N1CC[C@@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001571272989 945675844 /nfs/dbraw/zinc/67/58/44/945675844.db2.gz MHVLRUSOWLGMNE-KGLIPLIRSA-N -1 1 386.460 1.124 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCCCN2C(=O)[C@H]2CCCCO2)n1 ZINC001571272969 945676319 /nfs/dbraw/zinc/67/63/19/945676319.db2.gz LYIFBBZORMIPJI-DZGCQCFKSA-N -1 1 386.460 1.327 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCCCN2C(=O)[C@H]2CCCCO2)n1 ZINC001571272969 945676322 /nfs/dbraw/zinc/67/63/22/945676322.db2.gz LYIFBBZORMIPJI-DZGCQCFKSA-N -1 1 386.460 1.327 20 0 GDADMM COC1CCC(C(=O)N2CCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571273473 945687763 /nfs/dbraw/zinc/68/77/63/945687763.db2.gz XZNVXRQJWKONAB-ROKHWSDSSA-N -1 1 386.460 1.265 20 0 GDADMM COC1CCC(C(=O)N2CCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571273473 945687767 /nfs/dbraw/zinc/68/77/67/945687767.db2.gz XZNVXRQJWKONAB-ROKHWSDSSA-N -1 1 386.460 1.265 20 0 GDADMM O=C(CC1CCCCC1)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571273520 945689595 /nfs/dbraw/zinc/68/95/95/945689595.db2.gz YXIPDYLHLOHJIB-CQSZACIVSA-N -1 1 386.460 1.266 20 0 GDADMM O=C(CC1CCCCC1)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571273520 945689599 /nfs/dbraw/zinc/68/95/99/945689599.db2.gz YXIPDYLHLOHJIB-CQSZACIVSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@@H]1CN(C(=O)COC2CCCCC2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571275939 945720004 /nfs/dbraw/zinc/72/00/04/945720004.db2.gz GCITVXQOYXTFDG-IUODEOHRSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H]1CN(C(=O)COC2CCCCC2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571275939 945720006 /nfs/dbraw/zinc/72/00/06/945720006.db2.gz GCITVXQOYXTFDG-IUODEOHRSA-N -1 1 386.460 1.265 20 0 GDADMM CC1(C(=O)N2CCCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)CCOCC1 ZINC001571276095 945724936 /nfs/dbraw/zinc/72/49/36/945724936.db2.gz HCTVCJXBZMBQJP-CYBMUJFWSA-N -1 1 386.460 1.266 20 0 GDADMM CC1(C(=O)N2CCCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)CCOCC1 ZINC001571276095 945724944 /nfs/dbraw/zinc/72/49/44/945724944.db2.gz HCTVCJXBZMBQJP-CYBMUJFWSA-N -1 1 386.460 1.266 20 0 GDADMM CCO[C@@H]1C[C@H]1C(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571278685 945758090 /nfs/dbraw/zinc/75/80/90/945758090.db2.gz QRKIUIOFINOGMU-RGCMKSIDSA-N -1 1 386.460 1.169 20 0 GDADMM CCO[C@@H]1C[C@H]1C(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571278685 945758095 /nfs/dbraw/zinc/75/80/95/945758095.db2.gz QRKIUIOFINOGMU-RGCMKSIDSA-N -1 1 386.460 1.169 20 0 GDADMM COc1ncc(NC(=O)c2ccccc2N=S(C)(C)=O)cc1-c1nn[n-]n1 ZINC001571279831 945788564 /nfs/dbraw/zinc/78/85/64/945788564.db2.gz XIPDLNFMFCONIL-UHFFFAOYSA-N -1 1 387.425 1.882 20 0 GDADMM Cc1nsc(N2CCC[C@@H](NC(=O)Cc3ccoc3)CC2)c1-c1nn[n-]n1 ZINC001571280961 945794731 /nfs/dbraw/zinc/79/47/31/945794731.db2.gz ARCCZIODYCVVTR-CYBMUJFWSA-N -1 1 387.469 1.942 20 0 GDADMM CCc1cc(C(=O)NC[C@H]2C[C@@H](Nc3snc(C)c3-c3nn[n-]n3)C2)[nH]n1 ZINC001571281161 945799023 /nfs/dbraw/zinc/79/90/23/945799023.db2.gz DPGMUZQXVHQWBA-JGZJWPJOSA-N -1 1 387.473 1.538 20 0 GDADMM Cc1nsc(N2CCC([C@H](C)NC(=O)c3cn[nH]c3)CC2)c1-c1nn[n-]n1 ZINC001571281342 945800086 /nfs/dbraw/zinc/80/00/86/945800086.db2.gz GKZWSHKUOKAHRI-VIFPVBQESA-N -1 1 387.473 1.390 20 0 GDADMM Cc1nn(C)cc1C(=O)N1CCC[C@@H]1CNc1snc(C)c1-c1nn[n-]n1 ZINC001571281196 945800284 /nfs/dbraw/zinc/80/02/84/945800284.db2.gz FDFGKXBGTJQWIX-LLVKDONJSA-N -1 1 387.473 1.390 20 0 GDADMM Cc1c[nH]c(C(=O)N2C[C@@H](CNc3snc(C)c3-c3nn[n-]n3)[C@H](C)C2)n1 ZINC001571281580 945806281 /nfs/dbraw/zinc/80/62/81/945806281.db2.gz IYBCNBATGDXITO-LDYMZIIASA-N -1 1 387.473 1.483 20 0 GDADMM Cc1c[nH]c(C(=O)N2C[C@@H](C)[C@@H](CNc3snc(C)c3-c3nn[n-]n3)C2)n1 ZINC001571281578 945807238 /nfs/dbraw/zinc/80/72/38/945807238.db2.gz IYBCNBATGDXITO-KCJUWKMLSA-N -1 1 387.473 1.483 20 0 GDADMM Cc1c[nH]c(C(=O)N[C@H]2CC[C@@H](C)N(c3snc(C)c3-c3nn[n-]n3)C2)n1 ZINC001571281714 945809190 /nfs/dbraw/zinc/80/91/90/945809190.db2.gz MIMJYNMTXJNIBN-KOLCDFICSA-N -1 1 387.473 1.450 20 0 GDADMM CCn1cc(Cl)cc1C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571283729 945888650 /nfs/dbraw/zinc/88/86/50/945888650.db2.gz IMVIOOYHEODNGR-XYPYZODXSA-N -1 1 387.835 1.504 20 0 GDADMM CCn1cc(Cl)cc1C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571283729 945888661 /nfs/dbraw/zinc/88/86/61/945888661.db2.gz IMVIOOYHEODNGR-XYPYZODXSA-N -1 1 387.835 1.504 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2ccc(Cl)[nH]2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001571283870 945891104 /nfs/dbraw/zinc/89/11/04/945891104.db2.gz JTGKSLPZHKSVJP-VHSXEESVSA-N -1 1 387.835 1.426 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2ccc(Cl)[nH]2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001571283870 945891119 /nfs/dbraw/zinc/89/11/19/945891119.db2.gz JTGKSLPZHKSVJP-VHSXEESVSA-N -1 1 387.835 1.426 20 0 GDADMM CC1(C)CN(C(=O)c2cc(Cl)c[nH]2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571284207 945896822 /nfs/dbraw/zinc/89/68/22/945896822.db2.gz MXDKBLUXZWDPHT-LLVKDONJSA-N -1 1 387.835 1.023 20 0 GDADMM C[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cc(Cl)c[nH]1 ZINC001571284375 945900929 /nfs/dbraw/zinc/90/09/29/945900929.db2.gz PDRMYTXNHWCHRA-GXSJLCMTSA-N -1 1 387.835 1.743 20 0 GDADMM C[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(Cl)c[nH]1 ZINC001571284375 945900934 /nfs/dbraw/zinc/90/09/34/945900934.db2.gz PDRMYTXNHWCHRA-GXSJLCMTSA-N -1 1 387.835 1.743 20 0 GDADMM CN(C[C@@H]1CCCN1C(=O)c1ccc(F)s1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571286237 945940542 /nfs/dbraw/zinc/94/05/42/945940542.db2.gz BUSJBUPEGCDNQA-JTQLQIEISA-N -1 1 388.432 1.598 20 0 GDADMM CN(C[C@@H]1CCCN1C(=O)c1ccc(F)s1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571286237 945940551 /nfs/dbraw/zinc/94/05/51/945940551.db2.gz BUSJBUPEGCDNQA-JTQLQIEISA-N -1 1 388.432 1.598 20 0 GDADMM COC(=O)c1c(NC(=O)NCc2ccc(-c3nn[n-]n3)s2)nc2n1CCC2 ZINC001571286202 945940593 /nfs/dbraw/zinc/94/05/93/945940593.db2.gz AQYOLHCJRQEMRQ-UHFFFAOYSA-N -1 1 388.413 1.179 20 0 GDADMM COc1ncc(NC(=O)N[C@@H]2CCC[C@H](C(=O)N(C)C)C2)cc1-c1nn[n-]n1 ZINC001571286495 945949809 /nfs/dbraw/zinc/94/98/09/945949809.db2.gz JIXVGJLXGSZQCP-WDEREUQCSA-N -1 1 388.432 1.039 20 0 GDADMM O=C(N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1)c1ccc(F)s1 ZINC001571288131 945983951 /nfs/dbraw/zinc/98/39/51/945983951.db2.gz MOGJHKDYPDZJDL-JTQLQIEISA-N -1 1 388.432 1.646 20 0 GDADMM O=C(N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1)c1ccc(F)s1 ZINC001571288131 945983963 /nfs/dbraw/zinc/98/39/63/945983963.db2.gz MOGJHKDYPDZJDL-JTQLQIEISA-N -1 1 388.432 1.646 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)C1CCN(C(=O)C2(CF)CCC2)CC1 ZINC001571288289 945985782 /nfs/dbraw/zinc/98/57/82/945985782.db2.gz NLVJYWDAIORGFA-GFCCVEGCSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)C1CCN(C(=O)C2(CF)CCC2)CC1 ZINC001571288289 945985791 /nfs/dbraw/zinc/98/57/91/945985791.db2.gz NLVJYWDAIORGFA-GFCCVEGCSA-N -1 1 388.451 1.836 20 0 GDADMM Cc1conc1C(=O)N1CCC[C@@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571289693 946015318 /nfs/dbraw/zinc/01/53/18/946015318.db2.gz KJSKXLLWJLGBNE-NSHDSACASA-N -1 1 388.457 1.892 20 0 GDADMM Cc1conc1C(=O)N(C)C1CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001571289802 946017234 /nfs/dbraw/zinc/01/72/34/946017234.db2.gz MUFSDRKAZNJZQZ-UHFFFAOYSA-N -1 1 388.457 1.669 20 0 GDADMM Cc1ncc(CC(=O)N2CCC[C@@H](Nc3snc(C)c3-c3nn[n-]n3)C2)o1 ZINC001571289735 946018203 /nfs/dbraw/zinc/01/82/03/946018203.db2.gz LJIBAJVAANEWQS-LLVKDONJSA-N -1 1 388.457 1.574 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)CC1)[C@@H]1CC[C@@H](F)C1 ZINC001571289838 946020519 /nfs/dbraw/zinc/02/05/19/946020519.db2.gz NQDUOMWRMDPFNG-AAVRWANBSA-N -1 1 388.451 1.882 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)CC1)[C@@H]1CC[C@@H](F)C1 ZINC001571289838 946020528 /nfs/dbraw/zinc/02/05/28/946020528.db2.gz NQDUOMWRMDPFNG-AAVRWANBSA-N -1 1 388.451 1.882 20 0 GDADMM CN(C(=O)[C@H]1CCC[C@@H](F)C1)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571289921 946022640 /nfs/dbraw/zinc/02/26/40/946022640.db2.gz PTCFNZNMQYRDGJ-QWHCGFSZSA-N -1 1 388.451 1.612 20 0 GDADMM CN(C(=O)[C@H]1CCC[C@@H](F)C1)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571289921 946022648 /nfs/dbraw/zinc/02/26/48/946022648.db2.gz PTCFNZNMQYRDGJ-QWHCGFSZSA-N -1 1 388.451 1.612 20 0 GDADMM CC(C)C(C)(C)C(=O)N1CCCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571289945 946024272 /nfs/dbraw/zinc/02/42/72/946024272.db2.gz QJQHGJPTFYIOCV-CYBMUJFWSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)C(C)(C)C(=O)N1CCCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571289945 946024287 /nfs/dbraw/zinc/02/42/87/946024287.db2.gz QJQHGJPTFYIOCV-CYBMUJFWSA-N -1 1 388.476 1.368 20 0 GDADMM CN(C[C@H]1CCCN(C(=O)C2(F)CCCC2)C1)c1cncc(-c2nnn[n-]2)n1 ZINC001571290213 946031617 /nfs/dbraw/zinc/03/16/17/946031617.db2.gz XRUVUYOTQKCOCV-CYBMUJFWSA-N -1 1 388.451 1.614 20 0 GDADMM CN(C[C@H]1CCCN(C(=O)C2(F)CCCC2)C1)c1cncc(-c2nn[n-]n2)n1 ZINC001571290213 946031630 /nfs/dbraw/zinc/03/16/30/946031630.db2.gz XRUVUYOTQKCOCV-CYBMUJFWSA-N -1 1 388.451 1.614 20 0 GDADMM Cc1cccc(OCCNC(=O)COC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000822328985 946053203 /nfs/dbraw/zinc/05/32/03/946053203.db2.gz WLWANGLZANQGEL-UHFFFAOYSA-N -1 1 387.421 1.589 20 0 GDADMM Cc1cccc(OCCNC(=O)COC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000822328985 946053214 /nfs/dbraw/zinc/05/32/14/946053214.db2.gz WLWANGLZANQGEL-UHFFFAOYSA-N -1 1 387.421 1.589 20 0 GDADMM C[C@@H]1CN(C(=O)c2occc2Cl)CC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571290947 946062763 /nfs/dbraw/zinc/06/27/63/946062763.db2.gz VDVUXCMMFGPWRR-MWLCHTKSSA-N -1 1 388.819 1.866 20 0 GDADMM C[C@@H]1CN(C(=O)c2occc2Cl)CC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571290947 946062780 /nfs/dbraw/zinc/06/27/80/946062780.db2.gz VDVUXCMMFGPWRR-MWLCHTKSSA-N -1 1 388.819 1.866 20 0 GDADMM COc1ccc2c(c1)CCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)c(F)c1)C2 ZINC001571291117 946069115 /nfs/dbraw/zinc/06/91/15/946069115.db2.gz CBZDZESVBYFJJJ-UHFFFAOYSA-N -1 1 389.412 1.761 20 0 GDADMM COC(=O)c1ccc(NC[C@](C)(O)c2ccc(F)cc2F)c(-c2nnn[n-]2)n1 ZINC001571294213 946127957 /nfs/dbraw/zinc/12/79/57/946127957.db2.gz BBXBWIIMUFFHAL-KRWDZBQOSA-N -1 1 390.350 1.646 20 0 GDADMM COC(=O)c1ccc(NC[C@](C)(O)c2ccc(F)cc2F)c(-c2nn[n-]n2)n1 ZINC001571294213 946127965 /nfs/dbraw/zinc/12/79/65/946127965.db2.gz BBXBWIIMUFFHAL-KRWDZBQOSA-N -1 1 390.350 1.646 20 0 GDADMM Cc1cc(C(F)F)oc1C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571294269 946129280 /nfs/dbraw/zinc/12/92/80/946129280.db2.gz CVNFRXFGEHESGM-VIFPVBQESA-N -1 1 390.354 1.504 20 0 GDADMM Cc1cc(C(F)F)oc1C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571294269 946129288 /nfs/dbraw/zinc/12/92/88/946129288.db2.gz CVNFRXFGEHESGM-VIFPVBQESA-N -1 1 390.354 1.504 20 0 GDADMM O=C(c1ccc(C(F)F)o1)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571295297 946159695 /nfs/dbraw/zinc/15/96/95/946159695.db2.gz WVOJIDFDPCHTBK-UHFFFAOYSA-N -1 1 390.354 1.326 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CC2(C)C)cc1 ZINC001571298583 946221004 /nfs/dbraw/zinc/22/10/04/946221004.db2.gz HFHVYFMSSNCXPH-MRXNPFEDSA-N -1 1 390.451 1.945 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CC2(C)C)cc1 ZINC001571298583 946221017 /nfs/dbraw/zinc/22/10/17/946221017.db2.gz HFHVYFMSSNCXPH-MRXNPFEDSA-N -1 1 390.451 1.945 20 0 GDADMM O=C(N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)c1ccsc1Cl ZINC001571298830 946229104 /nfs/dbraw/zinc/22/91/04/946229104.db2.gz FBWWDNHGAFCMPQ-SECBINFHSA-N -1 1 390.860 1.770 20 0 GDADMM O=C(N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)c1ccsc1Cl ZINC001571298830 946229115 /nfs/dbraw/zinc/22/91/15/946229115.db2.gz FBWWDNHGAFCMPQ-SECBINFHSA-N -1 1 390.860 1.770 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)c3ccc4c(c3)CCC4)C2)n1 ZINC001571299255 946243092 /nfs/dbraw/zinc/24/30/92/946243092.db2.gz PUZLQPXFPBMNSL-INIZCTEOSA-N -1 1 390.451 1.463 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)c3ccc4c(c3)CCC4)C2)n1 ZINC001571299255 946243106 /nfs/dbraw/zinc/24/31/06/946243106.db2.gz PUZLQPXFPBMNSL-INIZCTEOSA-N -1 1 390.451 1.463 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ccccn2)CCN1c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001571299338 946246024 /nfs/dbraw/zinc/24/60/24/946246024.db2.gz LBGDEAQLXPBKQQ-BDAKNGLRSA-N -1 1 390.860 1.769 20 0 GDADMM Cc1[nH]nc(NC(=O)[C@@H]2CC(c3cccc(Cl)c3F)=NO2)c1-c1nn[n-]n1 ZINC001571299401 946249924 /nfs/dbraw/zinc/24/99/24/946249924.db2.gz MPUWPNFPYOUICZ-JTQLQIEISA-N -1 1 390.766 1.822 20 0 GDADMM CNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccsc1-c1nnn[n-]1)CC2 ZINC001571299763 946261096 /nfs/dbraw/zinc/26/10/96/946261096.db2.gz UEYFSUWFHIUTRV-UHFFFAOYSA-N -1 1 390.450 1.039 20 0 GDADMM CNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccsc1-c1nn[n-]n1)CC2 ZINC001571299763 946261105 /nfs/dbraw/zinc/26/11/05/946261105.db2.gz UEYFSUWFHIUTRV-UHFFFAOYSA-N -1 1 390.450 1.039 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@@H]3CN(C(=O)c4ccccc4)C[C@@H]3C2)n1 ZINC001571299975 946267624 /nfs/dbraw/zinc/26/76/24/946267624.db2.gz WYYYNEXLBCKNAS-GASCZTMLSA-N -1 1 390.451 1.428 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@@H]3CN(C(=O)c4ccccc4)C[C@@H]3C2)n1 ZINC001571299975 946267638 /nfs/dbraw/zinc/26/76/38/946267638.db2.gz WYYYNEXLBCKNAS-GASCZTMLSA-N -1 1 390.451 1.428 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@H](CNC(=O)[C@@H]3Cc4ccccc43)C2)n1 ZINC001571300123 946272190 /nfs/dbraw/zinc/27/21/90/946272190.db2.gz ZOISMMHKKDOOPP-XNRPHZJLSA-N -1 1 390.451 1.612 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@H](CNC(=O)[C@@H]3Cc4ccccc43)C2)n1 ZINC001571300123 946272199 /nfs/dbraw/zinc/27/21/99/946272199.db2.gz ZOISMMHKKDOOPP-XNRPHZJLSA-N -1 1 390.451 1.612 20 0 GDADMM O=C(NC1CC(CNc2cnc(-c3nnn[n-]3)cn2)C1)c1cc(Cl)cs1 ZINC001571300063 946273151 /nfs/dbraw/zinc/27/31/51/946273151.db2.gz SKRMUENHMMHZOM-UHFFFAOYSA-N -1 1 390.860 1.992 20 0 GDADMM O=C(NC1CC(CNc2cnc(-c3nn[n-]n3)cn2)C1)c1cc(Cl)cs1 ZINC001571300063 946273162 /nfs/dbraw/zinc/27/31/62/946273162.db2.gz SKRMUENHMMHZOM-UHFFFAOYSA-N -1 1 390.860 1.992 20 0 GDADMM O=C(c1cscc1Cl)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571300267 946279410 /nfs/dbraw/zinc/27/94/10/946279410.db2.gz YFAKPNWVRHFDNE-UHFFFAOYSA-N -1 1 390.860 1.510 20 0 GDADMM O=C(c1ccsc1Cl)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571300309 946279846 /nfs/dbraw/zinc/27/98/46/946279846.db2.gz ZIRMYLPKHIHNFH-VIFPVBQESA-N -1 1 390.860 1.510 20 0 GDADMM Cc1cc(F)cc(-c2nn[n-]n2)c1S(=O)(=O)NCCc1ccc(CO)cc1 ZINC001571302061 946292779 /nfs/dbraw/zinc/29/27/79/946292779.db2.gz MXWHYMQIBPICTL-UHFFFAOYSA-N -1 1 391.428 1.328 20 0 GDADMM O=C(N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1)C1(c2cccnc2)CC1 ZINC001571302883 946318405 /nfs/dbraw/zinc/31/84/05/946318405.db2.gz IKFZJCOKARKNIB-CQSZACIVSA-N -1 1 391.439 1.186 20 0 GDADMM O=C(N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1)C1(c2cccnc2)CC1 ZINC001571302883 946318418 /nfs/dbraw/zinc/31/84/18/946318418.db2.gz IKFZJCOKARKNIB-CQSZACIVSA-N -1 1 391.439 1.186 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccc(C2CC2)cn1 ZINC001571303825 946349152 /nfs/dbraw/zinc/34/91/52/946349152.db2.gz YSZORZVEOPRMEV-AWEZNQCLSA-N -1 1 391.439 1.328 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccc(C2CC2)cn1 ZINC001571303825 946349159 /nfs/dbraw/zinc/34/91/59/946349159.db2.gz YSZORZVEOPRMEV-AWEZNQCLSA-N -1 1 391.439 1.328 20 0 GDADMM Cc1nsc(NC[C@H]2CCCCN2C(=O)[C@H]2CCCOC2)c1-c1nn[n-]n1 ZINC001571305483 946363932 /nfs/dbraw/zinc/36/39/32/946363932.db2.gz CJIFXANUIMGFKZ-QWHCGFSZSA-N -1 1 391.501 1.851 20 0 GDADMM O=C(NC[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1)c1cncnc1 ZINC001571305522 946366606 /nfs/dbraw/zinc/36/66/06/946366606.db2.gz CZCUAVGEGSJGDY-MRVPVSSYSA-N -1 1 391.848 1.023 20 0 GDADMM O=C(NC[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1)c1cncnc1 ZINC001571305522 946366618 /nfs/dbraw/zinc/36/66/18/946366618.db2.gz CZCUAVGEGSJGDY-MRVPVSSYSA-N -1 1 391.848 1.023 20 0 GDADMM Cc1nsc(N2CCOC[C@@H]2CNC(=O)c2ccsc2)c1-c1nn[n-]n1 ZINC001571305587 946367230 /nfs/dbraw/zinc/36/72/30/946367230.db2.gz GJFHXXLGYMYGFA-NSHDSACASA-N -1 1 391.482 1.328 20 0 GDADMM Cc1nsc(NC[C@H]2CCCN(C(=O)C3CCOCC3)C2)c1-c1nn[n-]n1 ZINC001571305690 946371906 /nfs/dbraw/zinc/37/19/06/946371906.db2.gz JMXXIIHUNWTHIP-GFCCVEGCSA-N -1 1 391.501 1.709 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1scnc1Cl ZINC001571305807 946376801 /nfs/dbraw/zinc/37/68/01/946376801.db2.gz KNDCOMJUWGFVBJ-QMMMGPOBSA-N -1 1 391.848 1.165 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1scnc1Cl ZINC001571305807 946376812 /nfs/dbraw/zinc/37/68/12/946376812.db2.gz KNDCOMJUWGFVBJ-QMMMGPOBSA-N -1 1 391.848 1.165 20 0 GDADMM Cc1nsc(NC[C@H]2CCCCN2C(=O)c2cnsn2)c1-c1nn[n-]n1 ZINC001571306069 946383768 /nfs/dbraw/zinc/38/37/68/946383768.db2.gz OYOKEJUNELJORB-SECBINFHSA-N -1 1 391.486 1.590 20 0 GDADMM O=C(Cc1ccoc1)N[C@@H]1[C@H]2CN(c3snc(Cl)c3-c3nnn[n-]3)C[C@H]21 ZINC001571306052 946386122 /nfs/dbraw/zinc/38/61/22/946386122.db2.gz OOVKRSGVWWLCLR-GDGBQDQQSA-N -1 1 391.844 1.363 20 0 GDADMM O=C(Cc1ccoc1)N[C@@H]1[C@H]2CN(c3snc(Cl)c3-c3nn[n-]n3)C[C@H]21 ZINC001571306052 946386134 /nfs/dbraw/zinc/38/61/34/946386134.db2.gz OOVKRSGVWWLCLR-GDGBQDQQSA-N -1 1 391.844 1.363 20 0 GDADMM Cc1nsc(N2C[C@@H](NC(=O)C3(C)CCCCC3)[C@@H](O)C2)c1-c1nn[n-]n1 ZINC001571306131 946386821 /nfs/dbraw/zinc/38/68/21/946386821.db2.gz PYJJVKZEQOHMCA-NEPJUHHUSA-N -1 1 391.501 1.268 20 0 GDADMM O=C(NC[C@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1)c1ccsn1 ZINC001571306510 946402314 /nfs/dbraw/zinc/40/23/14/946402314.db2.gz VYYPQFKAHWVQOU-JTQLQIEISA-N -1 1 391.482 1.016 20 0 GDADMM Cc1nsc(N2CC[C@H](NC(=O)C(C)(C)C3CC3)[C@H](O)C2)c1-c1nn[n-]n1 ZINC001571306501 946402407 /nfs/dbraw/zinc/40/24/07/946402407.db2.gz VPKREYZBSNTSTF-NWDGAFQWSA-N -1 1 391.501 1.124 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc(N2CCOCC2)c(F)c1 ZINC000823294723 946407839 /nfs/dbraw/zinc/40/78/39/946407839.db2.gz OVCRBQDPVOTSRR-UHFFFAOYSA-N -1 1 384.371 1.800 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCCC[C@H]2CNC(=O)[C@@H]2CC2(F)F)n1 ZINC001571307366 946422612 /nfs/dbraw/zinc/42/26/12/946422612.db2.gz CUIYHLSUWLKLPA-RYUDHWBXSA-N -1 1 392.414 1.486 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCCC[C@H]2CNC(=O)[C@@H]2CC2(F)F)n1 ZINC001571307366 946422614 /nfs/dbraw/zinc/42/26/14/946422614.db2.gz CUIYHLSUWLKLPA-RYUDHWBXSA-N -1 1 392.414 1.486 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)CC[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571307595 946425616 /nfs/dbraw/zinc/42/56/16/946425616.db2.gz FXCNPGPTVCKZQX-MNOVXSKESA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)CC[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571307595 946425619 /nfs/dbraw/zinc/42/56/19/946425619.db2.gz FXCNPGPTVCKZQX-MNOVXSKESA-N -1 1 392.414 1.741 20 0 GDADMM O=C([C@@H]1CCCCC1(F)F)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571308026 946429877 /nfs/dbraw/zinc/42/98/77/946429877.db2.gz KBJADSXCOBDVPN-RYUDHWBXSA-N -1 1 392.414 1.885 20 0 GDADMM O=C([C@@H]1CCCCC1(F)F)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571308026 946429885 /nfs/dbraw/zinc/42/98/85/946429885.db2.gz KBJADSXCOBDVPN-RYUDHWBXSA-N -1 1 392.414 1.885 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@@H]1CCCCN1C(=O)c1ccco1 ZINC000823436219 946430596 /nfs/dbraw/zinc/43/05/96/946430596.db2.gz MPPLTADYLCBTLI-AWEZNQCLSA-N -1 1 382.380 1.593 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CCCCN1C(=O)c1ccco1 ZINC000823436219 946430601 /nfs/dbraw/zinc/43/06/01/946430601.db2.gz MPPLTADYLCBTLI-AWEZNQCLSA-N -1 1 382.380 1.593 20 0 GDADMM C[C@@H]1CN(C(=O)[C@@H]2CCC2(F)F)C[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001571308411 946432985 /nfs/dbraw/zinc/43/29/85/946432985.db2.gz PTTNAWDEAJNUGX-UTUOFQBUSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H]1CN(C(=O)[C@@H]2CCC2(F)F)C[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001571308411 946432993 /nfs/dbraw/zinc/43/29/93/946432993.db2.gz PTTNAWDEAJNUGX-UTUOFQBUSA-N -1 1 392.414 1.599 20 0 GDADMM CN(C(=O)C[C@H]1CCCC1(F)F)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571308726 946435806 /nfs/dbraw/zinc/43/58/06/946435806.db2.gz SMQLLIKOCNZZEH-VXGBXAGGSA-N -1 1 392.414 1.519 20 0 GDADMM CN(C(=O)C[C@H]1CCCC1(F)F)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571308726 946435814 /nfs/dbraw/zinc/43/58/14/946435814.db2.gz SMQLLIKOCNZZEH-VXGBXAGGSA-N -1 1 392.414 1.519 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(NC(=O)[C@H]3CCC(F)(F)C3)CC2)n1 ZINC001571308901 946437755 /nfs/dbraw/zinc/43/77/55/946437755.db2.gz VAYCZYQNDCFKJS-NSHDSACASA-N -1 1 392.414 1.486 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(NC(=O)[C@H]3CCC(F)(F)C3)CC2)n1 ZINC001571308901 946437761 /nfs/dbraw/zinc/43/77/61/946437761.db2.gz VAYCZYQNDCFKJS-NSHDSACASA-N -1 1 392.414 1.486 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC([C@H](C)NC(=O)[C@@H]3CC3(F)F)CC2)n1 ZINC001571309107 946439132 /nfs/dbraw/zinc/43/91/32/946439132.db2.gz WQQPREHLZZKUGH-JQWIXIFHSA-N -1 1 392.414 1.341 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC([C@H](C)NC(=O)[C@@H]3CC3(F)F)CC2)n1 ZINC001571309107 946439140 /nfs/dbraw/zinc/43/91/40/946439140.db2.gz WQQPREHLZZKUGH-JQWIXIFHSA-N -1 1 392.414 1.341 20 0 GDADMM Cc1cc[nH]c1C(=O)Nn1c(C)c(Br)c(C)c(-c2nn[n-]n2)c1=O ZINC001571309022 946439934 /nfs/dbraw/zinc/43/99/34/946439934.db2.gz VYNHUBDPGROABF-UHFFFAOYSA-N -1 1 392.217 1.428 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)[C@@H]1CCCC(F)(F)C1 ZINC001571310063 946462293 /nfs/dbraw/zinc/46/22/93/946462293.db2.gz UEQNLSYAIKPGCH-UTUOFQBUSA-N -1 1 392.414 1.789 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)[C@@H]1CCCC(F)(F)C1 ZINC001571310063 946462302 /nfs/dbraw/zinc/46/23/02/946462302.db2.gz UEQNLSYAIKPGCH-UTUOFQBUSA-N -1 1 392.414 1.789 20 0 GDADMM O=C(c1cccc2c1OCC2)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571312952 946507730 /nfs/dbraw/zinc/50/77/30/946507730.db2.gz MMGJLTMRSSCYRM-CYBMUJFWSA-N -1 1 392.423 1.308 20 0 GDADMM O=C(c1cccc2c1OCC2)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571312952 946507741 /nfs/dbraw/zinc/50/77/41/946507741.db2.gz MMGJLTMRSSCYRM-CYBMUJFWSA-N -1 1 392.423 1.308 20 0 GDADMM CCC(=O)N[C@@H]1CN(c2cc(-c3nnn[n-]3)nc(CC)n2)C[C@H]1c1ccccc1 ZINC001571313974 946536577 /nfs/dbraw/zinc/53/65/77/946536577.db2.gz YEQPJDBKJYZHDH-GOEBONIOSA-N -1 1 392.467 1.718 20 0 GDADMM CCC(=O)N[C@@H]1CN(c2cc(-c3nn[n-]n3)nc(CC)n2)C[C@H]1c1ccccc1 ZINC001571313974 946536585 /nfs/dbraw/zinc/53/65/85/946536585.db2.gz YEQPJDBKJYZHDH-GOEBONIOSA-N -1 1 392.467 1.718 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCN(C(=O)CCc3ccccc3)CC2)n1 ZINC001571314740 946542375 /nfs/dbraw/zinc/54/23/75/946542375.db2.gz BSGQEUCMAPTBBP-UHFFFAOYSA-N -1 1 392.467 1.637 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCN(C(=O)CCc3ccccc3)CC2)n1 ZINC001571314740 946542386 /nfs/dbraw/zinc/54/23/86/946542386.db2.gz BSGQEUCMAPTBBP-UHFFFAOYSA-N -1 1 392.467 1.637 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)[C@@H]2CCN(C(=O)Cc3ccccc3)C2)n1 ZINC001571316232 946568248 /nfs/dbraw/zinc/56/82/48/946568248.db2.gz WZLCFQFMVRAUTI-GDBMZVCRSA-N -1 1 392.467 1.857 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)[C@@H]2CCN(C(=O)Cc3ccccc3)C2)n1 ZINC001571316232 946568251 /nfs/dbraw/zinc/56/82/51/946568251.db2.gz WZLCFQFMVRAUTI-GDBMZVCRSA-N -1 1 392.467 1.857 20 0 GDADMM Cn1ccc(C(=O)N2CC[C@@H](CNc3nc(-c4nn[n-]n4)c(Cl)s3)C2)c1 ZINC001571317498 946610856 /nfs/dbraw/zinc/61/08/56/946610856.db2.gz KBFRUPWBVCUFDY-VIFPVBQESA-N -1 1 392.876 1.889 20 0 GDADMM CN(C(=O)c1nn(C)cc1Cl)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571317502 946611450 /nfs/dbraw/zinc/61/14/50/946611450.db2.gz KFVMDWDJNMVDLZ-UHFFFAOYSA-N -1 1 392.876 1.272 20 0 GDADMM O=C(Cc1ccc[nH]1)N1CCC[C@H]1CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001571317921 946623322 /nfs/dbraw/zinc/62/33/22/946623322.db2.gz YQYNJCQIJOQUOI-JTQLQIEISA-N -1 1 392.876 1.950 20 0 GDADMM O=C(Cc1ccc[nH]1)N1CCC[C@H]1CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001571317921 946623325 /nfs/dbraw/zinc/62/33/25/946623325.db2.gz YQYNJCQIJOQUOI-JTQLQIEISA-N -1 1 392.876 1.950 20 0 GDADMM Cc1[nH]ccc1C(=O)N(C)[C@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571317939 946624434 /nfs/dbraw/zinc/62/44/34/946624434.db2.gz ZIFTUDHXPMYDNB-VIFPVBQESA-N -1 1 392.876 1.964 20 0 GDADMM CC(=O)c1ncc(C(=O)Nc2c(C)c(-c3nnn[n-]3)nn2-c2cccnc2)s1 ZINC001573558967 946944925 /nfs/dbraw/zinc/94/49/25/946944925.db2.gz SDDUVCWOAAAULX-UHFFFAOYSA-N -1 1 395.408 1.667 20 0 GDADMM CC(=O)c1ncc(C(=O)Nc2c(C)c(-c3nn[n-]n3)nn2-c2cccnc2)s1 ZINC001573558967 946944933 /nfs/dbraw/zinc/94/49/33/946944933.db2.gz SDDUVCWOAAAULX-UHFFFAOYSA-N -1 1 395.408 1.667 20 0 GDADMM CCN(C(=O)Cc1noc(C)c1-c1nnn[n-]1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000825377241 947169679 /nfs/dbraw/zinc/16/96/79/947169679.db2.gz YRMJRKHUDOXAQB-UHFFFAOYSA-N -1 1 391.432 1.173 20 0 GDADMM CCN(C(=O)Cc1noc(C)c1-c1nn[n-]n1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000825377241 947169688 /nfs/dbraw/zinc/16/96/88/947169688.db2.gz YRMJRKHUDOXAQB-UHFFFAOYSA-N -1 1 391.432 1.173 20 0 GDADMM CCOC(=O)[C@@H](CCOC(C)(C)C)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825492503 947203199 /nfs/dbraw/zinc/20/31/99/947203199.db2.gz GFISVXUDIHLEKC-CYBMUJFWSA-N -1 1 376.417 1.128 20 0 GDADMM CCOC(=O)[C@@H](CCOC(C)(C)C)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825492503 947203207 /nfs/dbraw/zinc/20/32/07/947203207.db2.gz GFISVXUDIHLEKC-CYBMUJFWSA-N -1 1 376.417 1.128 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)N[C@H](C)c2ccc(C)c(C)c2)c1-c1nn[n-]n1 ZINC000825565621 947223873 /nfs/dbraw/zinc/22/38/73/947223873.db2.gz WTTRQHSYPGJXNM-CYBMUJFWSA-N -1 1 397.439 1.734 20 0 GDADMM C[C@@H](C(=O)N(C)C1CCN(c2nccnc2-c2nnn[n-]2)CC1)c1ccco1 ZINC001573592290 947334177 /nfs/dbraw/zinc/33/41/77/947334177.db2.gz ITCJQYWJQQTYSY-GFCCVEGCSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@@H](C(=O)N(C)C1CCN(c2nccnc2-c2nn[n-]n2)CC1)c1ccco1 ZINC001573592290 947334192 /nfs/dbraw/zinc/33/41/92/947334192.db2.gz ITCJQYWJQQTYSY-GFCCVEGCSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@H](C(=O)N(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)C1CCCC1 ZINC001573593010 947359862 /nfs/dbraw/zinc/35/98/62/947359862.db2.gz HNIXWFRLTWDXMY-SWLSCSKDSA-N -1 1 384.488 1.554 20 0 GDADMM C[C@@H](C(=O)N(C)C1CC(Nc2nccnc2-c2nnn[n-]2)C1)c1cccnc1 ZINC001573593175 947364331 /nfs/dbraw/zinc/36/43/31/947364331.db2.gz IQABHTAIHPTMRQ-LMWSTFAQSA-N -1 1 379.428 1.257 20 0 GDADMM C[C@@H](C(=O)N(C)C1CC(Nc2nccnc2-c2nn[n-]n2)C1)c1cccnc1 ZINC001573593175 947364346 /nfs/dbraw/zinc/36/43/46/947364346.db2.gz IQABHTAIHPTMRQ-LMWSTFAQSA-N -1 1 379.428 1.257 20 0 GDADMM C[C@H](C(=O)N(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)C(F)(F)F ZINC001573593474 947372334 /nfs/dbraw/zinc/37/23/34/947372334.db2.gz JVCVUTZIDLNNLV-KCJUWKMLSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@H](C(=O)N(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)C(F)(F)F ZINC001573593474 947372350 /nfs/dbraw/zinc/37/23/50/947372350.db2.gz JVCVUTZIDLNNLV-KCJUWKMLSA-N -1 1 384.366 1.504 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C=Cc1ccc2[nH]ccc2c1 ZINC000825923845 947374123 /nfs/dbraw/zinc/37/41/23/947374123.db2.gz YQQVWZNZQJPPQJ-ALCCZGGFSA-N -1 1 391.439 1.758 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C=Cc1ccc2[nH]ccc2c1 ZINC000825923845 947374137 /nfs/dbraw/zinc/37/41/37/947374137.db2.gz YQQVWZNZQJPPQJ-ALCCZGGFSA-N -1 1 391.439 1.758 20 0 GDADMM C[C@@H](C(=O)N(C)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cccs1 ZINC001573594339 947393442 /nfs/dbraw/zinc/39/34/42/947393442.db2.gz XZOSCSIBMHIARL-VXGBXAGGSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@@H](C(=O)N(C)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cccs1 ZINC001573594339 947393457 /nfs/dbraw/zinc/39/34/57/947393457.db2.gz XZOSCSIBMHIARL-VXGBXAGGSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@H](C(=O)N(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)n1cccc1 ZINC001573594560 947401110 /nfs/dbraw/zinc/40/11/10/947401110.db2.gz QLHSFCKXHZWQLU-DOMZBBRYSA-N -1 1 381.444 1.368 20 0 GDADMM C[C@H](C(=O)N(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)n1cccc1 ZINC001573594560 947401115 /nfs/dbraw/zinc/40/11/15/947401115.db2.gz QLHSFCKXHZWQLU-DOMZBBRYSA-N -1 1 381.444 1.368 20 0 GDADMM COC(=O)[C@@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)c1cc(F)ccc1F ZINC000826103848 947430356 /nfs/dbraw/zinc/43/03/56/947430356.db2.gz MGJNURMSFPPISN-AWEZNQCLSA-N -1 1 392.322 1.014 20 0 GDADMM COC(=O)[C@@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)c1cc(F)ccc1F ZINC000826103848 947430364 /nfs/dbraw/zinc/43/03/64/947430364.db2.gz MGJNURMSFPPISN-AWEZNQCLSA-N -1 1 392.322 1.014 20 0 GDADMM C[C@H](C(=O)N(C)CCN(C)c1ccnc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001573605130 947525891 /nfs/dbraw/zinc/52/58/91/947525891.db2.gz YPFOUIYWZPQRJY-LBPRGKRZSA-N -1 1 384.419 1.494 20 0 GDADMM C[C@H]([C@H](C)C(=O)N(CCO)CCNc1nccnc1-c1nnn[n-]1)C(C)(C)C ZINC001573607123 947539884 /nfs/dbraw/zinc/53/98/84/947539884.db2.gz FTFJKAOJAZAHFQ-QWHCGFSZSA-N -1 1 390.492 1.208 20 0 GDADMM C[C@H]([C@H](C)C(=O)N(CCO)CCNc1nccnc1-c1nn[n-]n1)C(C)(C)C ZINC001573607123 947539891 /nfs/dbraw/zinc/53/98/91/947539891.db2.gz FTFJKAOJAZAHFQ-QWHCGFSZSA-N -1 1 390.492 1.208 20 0 GDADMM C[C@@H](C(=O)N1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)(C)C1)C(C)(F)F ZINC001573613833 947570421 /nfs/dbraw/zinc/57/04/21/947570421.db2.gz JNLXFBYJJJHBDP-UWVGGRQHSA-N -1 1 380.403 1.019 20 0 GDADMM COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000327444989 971400182 /nfs/dbraw/zinc/40/01/82/971400182.db2.gz NRZCFRAJSWSGFR-NEPJUHHUSA-N -1 1 388.873 1.904 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1)n1cccc1 ZINC001573614291 947580143 /nfs/dbraw/zinc/58/01/43/947580143.db2.gz LOHCODGVKGKNBO-GXTWGEPZSA-N -1 1 381.444 1.368 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C1)n1cccc1 ZINC001573614291 947580148 /nfs/dbraw/zinc/58/01/48/947580148.db2.gz LOHCODGVKGKNBO-GXTWGEPZSA-N -1 1 381.444 1.368 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C(C)(C)C1)C(C)(F)F ZINC001573614524 947587985 /nfs/dbraw/zinc/58/79/85/947587985.db2.gz MSQOJDPSPNSCMV-MWLCHTKSSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C(C)(C)C1)C(C)(F)F ZINC001573614524 947587995 /nfs/dbraw/zinc/58/79/95/947587995.db2.gz MSQOJDPSPNSCMV-MWLCHTKSSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1)C1CCC1 ZINC001573614518 947588359 /nfs/dbraw/zinc/58/83/59/947588359.db2.gz MPWPHOICTKRVOB-AEGPPILISA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1)C1CCC1 ZINC001573614518 947588367 /nfs/dbraw/zinc/58/83/67/947588367.db2.gz MPWPHOICTKRVOB-AEGPPILISA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1)c1ccco1 ZINC001573616236 947619052 /nfs/dbraw/zinc/61/90/52/947619052.db2.gz MDWFFJDAHBCCFD-OLZOCXBDSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1)c1ccco1 ZINC001573616236 947619059 /nfs/dbraw/zinc/61/90/59/947619059.db2.gz MDWFFJDAHBCCFD-OLZOCXBDSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1)c1ccco1 ZINC001573616239 947619956 /nfs/dbraw/zinc/61/99/56/947619956.db2.gz MDWFFJDAHBCCFD-QWHCGFSZSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1)c1ccco1 ZINC001573616239 947619962 /nfs/dbraw/zinc/61/99/62/947619962.db2.gz MDWFFJDAHBCCFD-QWHCGFSZSA-N -1 1 382.428 1.704 20 0 GDADMM C=Cc1ccc(C(=O)N2C[C@H](C)[C@H](Nc3nccnc3-c3nnn[n-]3)C2)cc1 ZINC001573352213 947629916 /nfs/dbraw/zinc/62/99/16/947629916.db2.gz YWXNMFAZUAEVTD-SWLSCSKDSA-N -1 1 376.424 1.872 20 0 GDADMM C=Cc1ccc(C(=O)N2C[C@H](C)[C@H](Nc3nccnc3-c3nn[n-]n3)C2)cc1 ZINC001573352213 947629918 /nfs/dbraw/zinc/62/99/18/947629918.db2.gz YWXNMFAZUAEVTD-SWLSCSKDSA-N -1 1 376.424 1.872 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)cc1 ZINC001573354358 947632973 /nfs/dbraw/zinc/63/29/73/947632973.db2.gz BFQNDLRAINWTTC-OAHLLOKOSA-N -1 1 390.451 1.946 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)cc1 ZINC001573354358 947632977 /nfs/dbraw/zinc/63/29/77/947632977.db2.gz BFQNDLRAINWTTC-OAHLLOKOSA-N -1 1 390.451 1.946 20 0 GDADMM C=Cc1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001573354548 947633826 /nfs/dbraw/zinc/63/38/26/947633826.db2.gz CORXYSQSSZSNHZ-MLGOLLRUSA-N -1 1 376.424 1.872 20 0 GDADMM C=Cc1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001573354548 947633837 /nfs/dbraw/zinc/63/38/37/947633837.db2.gz CORXYSQSSZSNHZ-MLGOLLRUSA-N -1 1 376.424 1.872 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CN(C)c2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001573618295 947647643 /nfs/dbraw/zinc/64/76/43/947647643.db2.gz RONMTSFWOSRGPU-KBPBESRZSA-N -1 1 381.444 1.004 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CN(C)c2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001573618295 947647650 /nfs/dbraw/zinc/64/76/50/947647650.db2.gz RONMTSFWOSRGPU-KBPBESRZSA-N -1 1 381.444 1.004 20 0 GDADMM C=Cc1ccc(C(=O)NCC2CC(Nc3nccnc3-c3nnn[n-]3)C2)cc1 ZINC001573356372 947649844 /nfs/dbraw/zinc/64/98/44/947649844.db2.gz XGZGSKNVHDGAJU-UHFFFAOYSA-N -1 1 376.424 1.920 20 0 GDADMM C=Cc1ccc(C(=O)NCC2CC(Nc3nccnc3-c3nn[n-]n3)C2)cc1 ZINC001573356372 947649852 /nfs/dbraw/zinc/64/98/52/947649852.db2.gz XGZGSKNVHDGAJU-UHFFFAOYSA-N -1 1 376.424 1.920 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CCNc2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001573619457 947665090 /nfs/dbraw/zinc/66/50/90/947665090.db2.gz WIYAZDWKJPYVLN-CHWSQXEVSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CCNc2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001573619457 947665098 /nfs/dbraw/zinc/66/50/98/947665098.db2.gz WIYAZDWKJPYVLN-CHWSQXEVSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1)C(C)(C)C ZINC001573627578 947728010 /nfs/dbraw/zinc/72/80/10/947728010.db2.gz AUAGVQLVNSXJMX-ORAYPTAESA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1)C(C)(C)C ZINC001573627578 947728020 /nfs/dbraw/zinc/72/80/20/947728020.db2.gz AUAGVQLVNSXJMX-ORAYPTAESA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](C(=O)N1CC[C@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1)C(C)(C)C ZINC001573627579 947728083 /nfs/dbraw/zinc/72/80/83/947728083.db2.gz AUAGVQLVNSXJMX-YJYMSZOUSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](C(=O)N1CC[C@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1)C(C)(C)C ZINC001573627579 947728095 /nfs/dbraw/zinc/72/80/95/947728095.db2.gz AUAGVQLVNSXJMX-YJYMSZOUSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1)n1cccc1 ZINC001573627867 947737171 /nfs/dbraw/zinc/73/71/71/947737171.db2.gz GHSMHCDECSEIBX-ZIAGYGMSSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1)n1cccc1 ZINC001573627867 947737181 /nfs/dbraw/zinc/73/71/81/947737181.db2.gz GHSMHCDECSEIBX-ZIAGYGMSSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1)c1cccs1 ZINC001573628313 947752548 /nfs/dbraw/zinc/75/25/48/947752548.db2.gz KOGXTBOWEZYUSM-RYUDHWBXSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1)c1cccs1 ZINC001573628313 947752559 /nfs/dbraw/zinc/75/25/59/947752559.db2.gz KOGXTBOWEZYUSM-RYUDHWBXSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1)c1ccsc1 ZINC001573628502 947757084 /nfs/dbraw/zinc/75/70/84/947757084.db2.gz MLINDNFFHKBLAL-AAEUAGOBSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1)c1ccsc1 ZINC001573628502 947757089 /nfs/dbraw/zinc/75/70/89/947757089.db2.gz MLINDNFFHKBLAL-AAEUAGOBSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1nccnc1-c1nnn[n-]1)c1ccco1 ZINC001573628959 947768748 /nfs/dbraw/zinc/76/87/48/947768748.db2.gz PJRWNEJGHUZYRM-STQMWFEESA-N -1 1 382.428 1.481 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1nccnc1-c1nn[n-]n1)c1ccco1 ZINC001573628959 947768755 /nfs/dbraw/zinc/76/87/55/947768755.db2.gz PJRWNEJGHUZYRM-STQMWFEESA-N -1 1 382.428 1.481 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1)C(F)(F)F ZINC001573629802 947783471 /nfs/dbraw/zinc/78/34/71/947783471.db2.gz VTETULFVEUKDNT-VHSXEESVSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1)C(F)(F)F ZINC001573629802 947783477 /nfs/dbraw/zinc/78/34/77/947783477.db2.gz VTETULFVEUKDNT-VHSXEESVSA-N -1 1 384.366 1.282 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@H](CN(C)c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573372804 947784225 /nfs/dbraw/zinc/78/42/25/947784225.db2.gz DAQVRFIEGLLYBA-CYBMUJFWSA-N -1 1 391.501 1.676 20 0 GDADMM C[C@H](C(=O)N1CCC2(CCN(c3nccnc3-c3nnn[n-]3)C2)CC1)C1CC1 ZINC001573631349 947800599 /nfs/dbraw/zinc/80/05/99/947800599.db2.gz USXFDXFJIBVNFY-ZDUSSCGKSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H](C(=O)N1CCC2(CCN(c3nccnc3-c3nn[n-]n3)C2)CC1)C1CC1 ZINC001573631349 947800607 /nfs/dbraw/zinc/80/06/07/947800607.db2.gz USXFDXFJIBVNFY-ZDUSSCGKSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1)C(C)(F)F ZINC001573632054 947806347 /nfs/dbraw/zinc/80/63/47/947806347.db2.gz YJWJGFOZNBWNOJ-UTUOFQBUSA-N -1 1 392.414 1.518 20 0 GDADMM C[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1)C(C)(F)F ZINC001573632054 947806360 /nfs/dbraw/zinc/80/63/60/947806360.db2.gz YJWJGFOZNBWNOJ-UTUOFQBUSA-N -1 1 392.414 1.518 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573374244 947807009 /nfs/dbraw/zinc/80/70/09/947807009.db2.gz IPYCLVXIHIEADD-ZIAGYGMSSA-N -1 1 386.460 1.503 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573374244 947807020 /nfs/dbraw/zinc/80/70/20/947807020.db2.gz IPYCLVXIHIEADD-ZIAGYGMSSA-N -1 1 386.460 1.503 20 0 GDADMM CC(=O)CCCC(=O)NC1(CNc2nccnc2-c2nnn[n-]2)CCCCC1 ZINC001573374515 947810198 /nfs/dbraw/zinc/81/01/98/947810198.db2.gz JMZTYQFPMCLTLT-UHFFFAOYSA-N -1 1 386.460 1.647 20 0 GDADMM CC(=O)CCCC(=O)NC1(CNc2nccnc2-c2nn[n-]n2)CCCCC1 ZINC001573374515 947810206 /nfs/dbraw/zinc/81/02/06/947810206.db2.gz JMZTYQFPMCLTLT-UHFFFAOYSA-N -1 1 386.460 1.647 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1)C(C)(C)C ZINC001573632103 947810855 /nfs/dbraw/zinc/81/08/55/947810855.db2.gz YZEMQJHUHAVYQQ-ORAYPTAESA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1)C(C)(C)C ZINC001573632103 947810870 /nfs/dbraw/zinc/81/08/70/947810870.db2.gz YZEMQJHUHAVYQQ-ORAYPTAESA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cccs1 ZINC001573637376 947813196 /nfs/dbraw/zinc/81/31/96/947813196.db2.gz ATGJEIBQRKQJDS-NWDGAFQWSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cccs1 ZINC001573637376 947813205 /nfs/dbraw/zinc/81/32/05/947813205.db2.gz ATGJEIBQRKQJDS-NWDGAFQWSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@@H](C(=O)N1CCCO[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)C1CCC1 ZINC001573637672 947822204 /nfs/dbraw/zinc/82/22/04/947822204.db2.gz MSLVMJYOQPWLIS-TZMCWYRMSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](C(=O)N1CCCO[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573637672 947822208 /nfs/dbraw/zinc/82/22/08/947822208.db2.gz MSLVMJYOQPWLIS-TZMCWYRMSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)C(C)(F)F ZINC001573638145 947833650 /nfs/dbraw/zinc/83/36/50/947833650.db2.gz GQZWQXLCTHJJTB-GMXVVIOVSA-N -1 1 392.414 1.375 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)C(C)(F)F ZINC001573638145 947833652 /nfs/dbraw/zinc/83/36/52/947833652.db2.gz GQZWQXLCTHJJTB-GMXVVIOVSA-N -1 1 392.414 1.375 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H](C)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573377741 947852969 /nfs/dbraw/zinc/85/29/69/947852969.db2.gz SIGPEIPDMSODJB-UONOGXRCSA-N -1 1 386.460 1.137 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H](C)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573377741 947852974 /nfs/dbraw/zinc/85/29/74/947852974.db2.gz SIGPEIPDMSODJB-UONOGXRCSA-N -1 1 386.460 1.137 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H](C)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573378107 947854142 /nfs/dbraw/zinc/85/41/42/947854142.db2.gz VURQQXCARLLJQK-UONOGXRCSA-N -1 1 386.460 1.137 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H](C)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573378107 947854147 /nfs/dbraw/zinc/85/41/47/947854147.db2.gz VURQQXCARLLJQK-UONOGXRCSA-N -1 1 386.460 1.137 20 0 GDADMM CC(=O)CCCC(=O)N1C[C@@H]2C[C@H]1CN2c1snc(C)c1-c1nn[n-]n1 ZINC001573378312 947856283 /nfs/dbraw/zinc/85/62/83/947856283.db2.gz ZGUKJXJDWQPSFE-RYUDHWBXSA-N -1 1 375.458 1.180 20 0 GDADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2Cc1nnc(C2CC2)n1C1CC1 ZINC000826295226 947856387 /nfs/dbraw/zinc/85/63/87/947856387.db2.gz XMZGQHULBHFKGK-UHFFFAOYSA-N -1 1 389.423 1.737 20 0 GDADMM CC(=O)CCCC(=O)NC[C@@H]1[C@H]2CN(c3snc(C)c3-c3nn[n-]n3)C[C@H]21 ZINC001573380699 947862633 /nfs/dbraw/zinc/86/26/33/947862633.db2.gz GLUJWUNUKKVAJS-XYYAHUGASA-N -1 1 389.485 1.189 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](C)[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573647050 947881617 /nfs/dbraw/zinc/88/16/17/947881617.db2.gz BBHJWKDGMNWQOQ-IJEWVQPXSA-N -1 1 398.515 1.801 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1)C1CCC1 ZINC001573651491 947922057 /nfs/dbraw/zinc/92/20/57/947922057.db2.gz MLDNDOVXOOSQAT-CFVMTHIKSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1)C1CCC1 ZINC001573651491 947922062 /nfs/dbraw/zinc/92/20/62/947922062.db2.gz MLDNDOVXOOSQAT-CFVMTHIKSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)c1ccsc1 ZINC001573652237 947934332 /nfs/dbraw/zinc/93/43/32/947934332.db2.gz BQZFMODXXKEECL-ZWNOBZJWSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)c1ccsc1 ZINC001573652237 947934340 /nfs/dbraw/zinc/93/43/40/947934340.db2.gz BQZFMODXXKEECL-ZWNOBZJWSA-N -1 1 384.469 1.829 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCc2ccncc21 ZINC000826328688 947957036 /nfs/dbraw/zinc/95/70/36/947957036.db2.gz ZHVDWDSQTKYTCS-UHFFFAOYSA-N -1 1 389.423 1.443 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCc2ccncc21 ZINC000826328688 947957044 /nfs/dbraw/zinc/95/70/44/947957044.db2.gz ZHVDWDSQTKYTCS-UHFFFAOYSA-N -1 1 389.423 1.443 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)c1cccnc1 ZINC001573654268 947964237 /nfs/dbraw/zinc/96/42/37/947964237.db2.gz QITOUMJISVXIPP-RISCZKNCSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)c1cccnc1 ZINC001573654268 947964241 /nfs/dbraw/zinc/96/42/41/947964241.db2.gz QITOUMJISVXIPP-RISCZKNCSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@@H](C(=O)N[C@](C)(CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)n1cccc1 ZINC001573654294 947965710 /nfs/dbraw/zinc/96/57/10/947965710.db2.gz QRYSXCWYBFDURH-KPZWWZAWSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](C(=O)N[C@](C)(CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)n1cccc1 ZINC001573654294 947965716 /nfs/dbraw/zinc/96/57/16/947965716.db2.gz QRYSXCWYBFDURH-KPZWWZAWSA-N -1 1 381.444 1.416 20 0 GDADMM Cc1onc(CC(=O)N2CC(OCCCOc3ccccc3)C2)c1-c1nnn[n-]1 ZINC000826343499 947991601 /nfs/dbraw/zinc/99/16/01/947991601.db2.gz CSUCPSVYYBELMQ-UHFFFAOYSA-N -1 1 398.423 1.402 20 0 GDADMM Cc1onc(CC(=O)N2CC(OCCCOc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826343499 947991605 /nfs/dbraw/zinc/99/16/05/947991605.db2.gz CSUCPSVYYBELMQ-UHFFFAOYSA-N -1 1 398.423 1.402 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](C)c2ccc(N3CCCC3=O)cc2)c1-c1nnn[n-]1 ZINC000826345713 948027838 /nfs/dbraw/zinc/02/78/38/948027838.db2.gz RULKJDYNSFEKNB-NSHDSACASA-N -1 1 395.423 1.710 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](C)c2ccc(N3CCCC3=O)cc2)c1-c1nn[n-]n1 ZINC000826345713 948027851 /nfs/dbraw/zinc/02/78/51/948027851.db2.gz RULKJDYNSFEKNB-NSHDSACASA-N -1 1 395.423 1.710 20 0 GDADMM C[C@H](C(=O)N[C@]12CCC[C@@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2)C(C)(F)F ZINC001573663064 948033384 /nfs/dbraw/zinc/03/33/84/948033384.db2.gz IQBWIAUWGPPGKE-MOCULFSLSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H](C(=O)N[C@]12CCC[C@@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2)C(C)(F)F ZINC001573663064 948033390 /nfs/dbraw/zinc/03/33/90/948033390.db2.gz IQBWIAUWGPPGKE-MOCULFSLSA-N -1 1 392.414 1.566 20 0 GDADMM Cc1onc(CC(=O)NCC(C)(C)NC(=O)OC(C)(C)C)c1-c1nnn[n-]1 ZINC000826346118 948035658 /nfs/dbraw/zinc/03/56/58/948035658.db2.gz CSVSTTBJXUQLLE-UHFFFAOYSA-N -1 1 379.421 1.125 20 0 GDADMM Cc1onc(CC(=O)NCC(C)(C)NC(=O)OC(C)(C)C)c1-c1nn[n-]n1 ZINC000826346118 948035667 /nfs/dbraw/zinc/03/56/67/948035667.db2.gz CSVSTTBJXUQLLE-UHFFFAOYSA-N -1 1 379.421 1.125 20 0 GDADMM Cc1onc(CC(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2)c1-c1nnn[n-]1 ZINC000826346458 948040550 /nfs/dbraw/zinc/04/05/50/948040550.db2.gz MXXCHCQQJRRQCS-LBPRGKRZSA-N -1 1 387.831 1.754 20 0 GDADMM Cc1onc(CC(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2)c1-c1nn[n-]n1 ZINC000826346458 948040555 /nfs/dbraw/zinc/04/05/55/948040555.db2.gz MXXCHCQQJRRQCS-LBPRGKRZSA-N -1 1 387.831 1.754 20 0 GDADMM Cc1onc(CC(=O)N[C@H](c2nnc3ccccn32)C(C)C)c1-c1nnn[n-]1 ZINC000826346595 948043109 /nfs/dbraw/zinc/04/31/09/948043109.db2.gz PXHVATCGWMPHRJ-HNNXBMFYSA-N -1 1 381.400 1.262 20 0 GDADMM Cc1onc(CC(=O)N[C@H](c2nnc3ccccn32)C(C)C)c1-c1nn[n-]n1 ZINC000826346595 948043118 /nfs/dbraw/zinc/04/31/18/948043118.db2.gz PXHVATCGWMPHRJ-HNNXBMFYSA-N -1 1 381.400 1.262 20 0 GDADMM Cc1onc(CC(=O)NCCc2nc(C(C)(C)C)cs2)c1-c1nnn[n-]1 ZINC000826347926 948063292 /nfs/dbraw/zinc/06/32/92/948063292.db2.gz LZSBKIAQNDBIAE-UHFFFAOYSA-N -1 1 375.458 1.819 20 0 GDADMM Cc1onc(CC(=O)NCCc2nc(C(C)(C)C)cs2)c1-c1nn[n-]n1 ZINC000826347926 948063303 /nfs/dbraw/zinc/06/33/03/948063303.db2.gz LZSBKIAQNDBIAE-UHFFFAOYSA-N -1 1 375.458 1.819 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccsc1 ZINC001573665767 948077727 /nfs/dbraw/zinc/07/77/27/948077727.db2.gz MVEWYFWFRIYVNY-YPMHNXCESA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccsc1 ZINC001573665767 948077735 /nfs/dbraw/zinc/07/77/35/948077735.db2.gz MVEWYFWFRIYVNY-YPMHNXCESA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)n1cccc1 ZINC001573666053 948082918 /nfs/dbraw/zinc/08/29/18/948082918.db2.gz PIJGRRSXSSKXLR-ZIAGYGMSSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)n1cccc1 ZINC001573666053 948082926 /nfs/dbraw/zinc/08/29/26/948082926.db2.gz PIJGRRSXSSKXLR-ZIAGYGMSSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](C(=O)NC1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1)C(F)(F)F ZINC001573667065 948095019 /nfs/dbraw/zinc/09/50/19/948095019.db2.gz XKJOAYNPUIVDEJ-XNWIYYODSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@H](C(=O)NC1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1)C(F)(F)F ZINC001573667065 948095030 /nfs/dbraw/zinc/09/50/30/948095030.db2.gz XKJOAYNPUIVDEJ-XNWIYYODSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](C(=O)NC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1cccs1 ZINC001573677486 948138596 /nfs/dbraw/zinc/13/85/96/948138596.db2.gz AZKLRAAVALXITM-ZYHUDNBSSA-N -1 1 384.469 1.251 20 0 GDADMM C[C@@H](C(=O)NC[C@H](C)N(C)c1cnc(-c2nnn[n-]2)cn1)c1ccccc1F ZINC001573677819 948141306 /nfs/dbraw/zinc/14/13/06/948141306.db2.gz FLIUEASLFBPGBG-NWDGAFQWSA-N -1 1 384.419 1.540 20 0 GDADMM C[C@@H](C(=O)NC[C@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1)c1ccccc1F ZINC001573677819 948141314 /nfs/dbraw/zinc/14/13/14/948141314.db2.gz FLIUEASLFBPGBG-NWDGAFQWSA-N -1 1 384.419 1.540 20 0 GDADMM Fc1ccc(-c2nnc3n2C[C@@H](Nc2nccnc2-c2nnn[n-]2)CC3)cc1 ZINC000826372776 948156903 /nfs/dbraw/zinc/15/69/03/948156903.db2.gz LEMIMHGUDQCNEO-LBPRGKRZSA-N -1 1 378.375 1.481 20 0 GDADMM Fc1ccc(-c2nnc3n2C[C@@H](Nc2nccnc2-c2nn[n-]n2)CC3)cc1 ZINC000826372776 948156911 /nfs/dbraw/zinc/15/69/11/948156911.db2.gz LEMIMHGUDQCNEO-LBPRGKRZSA-N -1 1 378.375 1.481 20 0 GDADMM CC(=O)N1C[C@@H](C)O[C@]2(CCN(c3nc(Cl)c(-c4nnn[n-]4)s3)C2)C1 ZINC001573427220 948163174 /nfs/dbraw/zinc/16/31/74/948163174.db2.gz UTGVMRVPGLSIKX-CLAHSXSESA-N -1 1 383.865 1.193 20 0 GDADMM CC(=O)N1C[C@@H](C)O[C@]2(CCN(c3nc(Cl)c(-c4nn[n-]n4)s3)C2)C1 ZINC001573427220 948163179 /nfs/dbraw/zinc/16/31/79/948163179.db2.gz UTGVMRVPGLSIKX-CLAHSXSESA-N -1 1 383.865 1.193 20 0 GDADMM C[C@H](C(=O)NC[C@H](CO)Nc1snc(Cl)c1-c1nnn[n-]1)C(C)(C)C ZINC001573679854 948168311 /nfs/dbraw/zinc/16/83/11/948168311.db2.gz KECVKCAHLYGISR-HTQZYQBOSA-N -1 1 387.897 1.548 20 0 GDADMM C[C@H](C(=O)NC[C@H](CO)Nc1snc(Cl)c1-c1nn[n-]n1)C(C)(C)C ZINC001573679854 948168315 /nfs/dbraw/zinc/16/83/15/948168315.db2.gz KECVKCAHLYGISR-HTQZYQBOSA-N -1 1 387.897 1.548 20 0 GDADMM C[C@@H](C(=O)NC[C@@H](Nc1nccnc1-c1nnn[n-]1)C1CC1)c1cccnc1 ZINC001573680312 948176430 /nfs/dbraw/zinc/17/64/30/948176430.db2.gz MYJJYBNBSACJQB-BXUZGUMPSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@@H](C(=O)NC[C@@H](Nc1nccnc1-c1nn[n-]n1)C1CC1)c1cccnc1 ZINC001573680312 948176435 /nfs/dbraw/zinc/17/64/35/948176435.db2.gz MYJJYBNBSACJQB-BXUZGUMPSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C)C(F)(F)F ZINC001573680749 948187836 /nfs/dbraw/zinc/18/78/36/948187836.db2.gz RLMWXLFGWDQNFY-RKDXNWHRSA-N -1 1 384.366 1.186 20 0 GDADMM CC(=O)N1CCC([C@@H]2C[C@@H](Nc3snc(C)c3-c3nn[n-]n3)CCO2)CC1 ZINC001573434985 948223801 /nfs/dbraw/zinc/22/38/01/948223801.db2.gz UMCSZXKBPVBUCW-KBPBESRZSA-N -1 1 391.501 1.850 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CC1)c1ccccc1F ZINC001573692883 948274244 /nfs/dbraw/zinc/27/42/44/948274244.db2.gz SXDAUGDPZWSCNP-LLVKDONJSA-N -1 1 382.403 1.082 20 0 GDADMM CC(=O)N1CCC[C@@H](n2cc(CNc3snc(C)c3-c3nn[n-]n3)nn2)C1 ZINC001573442123 948286342 /nfs/dbraw/zinc/28/63/42/948286342.db2.gz SMZJYWUKFPRKEF-GFCCVEGCSA-N -1 1 388.461 1.019 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCCC1)c1ccco1 ZINC001573695637 948309342 /nfs/dbraw/zinc/30/93/42/948309342.db2.gz HSKZYZUKXQWECM-LBPRGKRZSA-N -1 1 382.428 1.894 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCCC1)c1ccco1 ZINC001573695637 948309352 /nfs/dbraw/zinc/30/93/52/948309352.db2.gz HSKZYZUKXQWECM-LBPRGKRZSA-N -1 1 382.428 1.894 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)C1CCCC1 ZINC001573696260 948320836 /nfs/dbraw/zinc/32/08/36/948320836.db2.gz MSJWQZNIWRLAKJ-NGFQHRJXSA-N -1 1 382.472 1.281 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)C1CCCC1 ZINC001573696260 948320841 /nfs/dbraw/zinc/32/08/41/948320841.db2.gz MSJWQZNIWRLAKJ-NGFQHRJXSA-N -1 1 382.472 1.281 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1)C(F)(F)F ZINC001573701845 948341610 /nfs/dbraw/zinc/34/16/10/948341610.db2.gz BKZAVBREIOQWLY-NXEZZACHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1)C(F)(F)F ZINC001573701845 948341619 /nfs/dbraw/zinc/34/16/19/948341619.db2.gz BKZAVBREIOQWLY-NXEZZACHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccco1 ZINC001573702274 948345442 /nfs/dbraw/zinc/34/54/42/948345442.db2.gz CZTJFVGEBFJDAS-STQMWFEESA-N -1 1 382.428 1.386 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001573702274 948345449 /nfs/dbraw/zinc/34/54/49/948345449.db2.gz CZTJFVGEBFJDAS-STQMWFEESA-N -1 1 382.428 1.386 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001573703144 948351696 /nfs/dbraw/zinc/35/16/96/948351696.db2.gz IJXZDXZMYMRXLO-UONOGXRCSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001573703144 948351704 /nfs/dbraw/zinc/35/17/04/948351704.db2.gz IJXZDXZMYMRXLO-UONOGXRCSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573703861 948359725 /nfs/dbraw/zinc/35/97/25/948359725.db2.gz NFBXHHPSUWSSAC-GHMZBOCLSA-N -1 1 380.403 1.281 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573704021 948362055 /nfs/dbraw/zinc/36/20/55/948362055.db2.gz NZYMWYODTWBUFH-ZJUUUORDSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1)C1CCCC1 ZINC001573704961 948386490 /nfs/dbraw/zinc/38/64/90/948386490.db2.gz UYMSXMSCMZGNBD-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573704961 948386496 /nfs/dbraw/zinc/38/64/96/948386496.db2.gz UYMSXMSCMZGNBD-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](C(=O)NCCC1(CNc2ccc(-c3nnn[n-]3)nn2)CC1)[C@H]1CCCO1 ZINC001573705392 948399948 /nfs/dbraw/zinc/39/99/48/948399948.db2.gz FKHGCDGJOLONIA-TZMCWYRMSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](C(=O)NCCC1(CNc2ccc(-c3nn[n-]n3)nn2)CC1)[C@H]1CCCO1 ZINC001573705392 948399953 /nfs/dbraw/zinc/39/99/53/948399953.db2.gz FKHGCDGJOLONIA-TZMCWYRMSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001573705726 948408701 /nfs/dbraw/zinc/40/87/01/948408701.db2.gz XYIKDJBZSLCWBK-NXEZZACHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001573705726 948408703 /nfs/dbraw/zinc/40/87/03/948408703.db2.gz XYIKDJBZSLCWBK-NXEZZACHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1)c1ccc(Cl)s1 ZINC001573715079 948482336 /nfs/dbraw/zinc/48/23/36/948482336.db2.gz OERAESVBUNOIEK-VIFPVBQESA-N -1 1 392.876 1.728 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1)c1ccc(Cl)s1 ZINC001573715079 948482339 /nfs/dbraw/zinc/48/23/39/948482339.db2.gz OERAESVBUNOIEK-VIFPVBQESA-N -1 1 392.876 1.728 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1snc(Cl)c1-c1nnn[n-]1)c1cccnc1 ZINC001573718050 948513864 /nfs/dbraw/zinc/51/38/64/948513864.db2.gz GZVOQZKDPXKZBG-SECBINFHSA-N -1 1 392.876 1.728 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1snc(Cl)c1-c1nn[n-]n1)c1cccnc1 ZINC001573718050 948513869 /nfs/dbraw/zinc/51/38/69/948513869.db2.gz GZVOQZKDPXKZBG-SECBINFHSA-N -1 1 392.876 1.728 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)c1c(F)cccc1F ZINC001573731806 948596041 /nfs/dbraw/zinc/59/60/41/948596041.db2.gz HQMNXIVZVXMBOZ-UWVGGRQHSA-N -1 1 388.382 1.077 20 0 GDADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@H](C)n1cccn1 ZINC001573732525 948603446 /nfs/dbraw/zinc/60/34/46/948603446.db2.gz QFMKTJKWGFPUHM-YUMQZZPRSA-N -1 1 381.853 1.351 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)c1ccc(Cl)cc1 ZINC001573732725 948607748 /nfs/dbraw/zinc/60/77/48/948607748.db2.gz WLQOEEIFNAUPMH-QWRGUYRKSA-N -1 1 386.847 1.452 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001573739684 948620763 /nfs/dbraw/zinc/62/07/63/948620763.db2.gz GKTTWOAWWHBAQN-XNAIMREJSA-N -1 1 390.451 1.897 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001573739684 948620766 /nfs/dbraw/zinc/62/07/66/948620766.db2.gz GKTTWOAWWHBAQN-XNAIMREJSA-N -1 1 390.451 1.897 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H](C)c1ccc(F)cc1F ZINC001573742377 948660724 /nfs/dbraw/zinc/66/07/24/948660724.db2.gz LPDHJNYXBXXEIX-NXEZZACHSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H](C)c1ccc(F)cc1F ZINC001573742377 948660729 /nfs/dbraw/zinc/66/07/29/948660729.db2.gz LPDHJNYXBXXEIX-NXEZZACHSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CC1)n1cccc1 ZINC001573746424 948681033 /nfs/dbraw/zinc/68/10/33/948681033.db2.gz LPFXULJEOXMMJG-IHRRRGAJSA-N -1 1 381.444 1.559 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CC1)n1cccc1 ZINC001573746424 948681036 /nfs/dbraw/zinc/68/10/36/948681036.db2.gz LPFXULJEOXMMJG-IHRRRGAJSA-N -1 1 381.444 1.559 20 0 GDADMM C[C@@H](C(=O)Nc1ncccc1C(=O)OC(C)(C)C)n1cnc(-c2nn[n-]n2)n1 ZINC001573754350 948742340 /nfs/dbraw/zinc/74/23/40/948742340.db2.gz FGROQFYVNBAPJD-VIFPVBQESA-N -1 1 385.388 1.008 20 0 GDADMM CC(C)c1ccc(C(=O)N(C)CCN(C)c2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001574416561 948753538 /nfs/dbraw/zinc/75/35/38/948753538.db2.gz YCYPZHDQZXYCQJ-UHFFFAOYSA-N -1 1 380.456 1.989 20 0 GDADMM CC(C)c1ccc(C(=O)N(C)CCN(C)c2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001574416561 948753547 /nfs/dbraw/zinc/75/35/47/948753547.db2.gz YCYPZHDQZXYCQJ-UHFFFAOYSA-N -1 1 380.456 1.989 20 0 GDADMM C[C@@H](CNC(=O)CCc1ccc(Cl)cc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574914887 948758751 /nfs/dbraw/zinc/75/87/51/948758751.db2.gz ONQODVOFKIUWSO-NSHDSACASA-N -1 1 386.847 1.860 20 0 GDADMM C[C@@H](CNC(=O)CCc1ccc(Cl)cc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574914887 948758759 /nfs/dbraw/zinc/75/87/59/948758759.db2.gz ONQODVOFKIUWSO-NSHDSACASA-N -1 1 386.847 1.860 20 0 GDADMM C[C@H](C(=O)Nc1cccc(Br)c1F)n1cnc(-c2nn[n-]n2)n1 ZINC001573755406 948763085 /nfs/dbraw/zinc/76/30/85/948763085.db2.gz DFAZVPWLVLALOU-ZCFIWIBFSA-N -1 1 381.169 1.560 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccc2c(c1)CCO2 ZINC001574679059 948765978 /nfs/dbraw/zinc/76/59/78/948765978.db2.gz MLMYRPKFRQDLGP-LLVKDONJSA-N -1 1 380.412 1.212 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccc2c(c1)CCO2 ZINC001574679059 948765993 /nfs/dbraw/zinc/76/59/93/948765993.db2.gz MLMYRPKFRQDLGP-LLVKDONJSA-N -1 1 380.412 1.212 20 0 GDADMM CC(C)c1cc(C(=O)N[C@H](C)CCNc2cnc(-c3nnn[n-]3)cn2)n(C)n1 ZINC001574679110 948766507 /nfs/dbraw/zinc/76/65/07/948766507.db2.gz NPOBEMDPQLJCOL-LLVKDONJSA-N -1 1 384.448 1.134 20 0 GDADMM CC(C)c1cc(C(=O)N[C@H](C)CCNc2cnc(-c3nn[n-]n3)cn2)n(C)n1 ZINC001574679110 948766517 /nfs/dbraw/zinc/76/65/17/948766517.db2.gz NPOBEMDPQLJCOL-LLVKDONJSA-N -1 1 384.448 1.134 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cc2c(o1)CCCC2 ZINC001574679416 948781060 /nfs/dbraw/zinc/78/10/60/948781060.db2.gz UYGKUXYWWDNFCW-LLVKDONJSA-N -1 1 382.428 1.749 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cc2c(o1)CCCC2 ZINC001574679416 948781068 /nfs/dbraw/zinc/78/10/68/948781068.db2.gz UYGKUXYWWDNFCW-LLVKDONJSA-N -1 1 382.428 1.749 20 0 GDADMM CC(C)[C@@H](F)C(=O)NCc1ccc(CNc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001574080121 948783188 /nfs/dbraw/zinc/78/31/88/948783188.db2.gz HNWQHIIUINWWTR-MRXNPFEDSA-N -1 1 384.419 1.879 20 0 GDADMM CC(C)[C@@H](F)C(=O)NCc1ccc(CNc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001574080121 948783199 /nfs/dbraw/zinc/78/31/99/948783199.db2.gz HNWQHIIUINWWTR-MRXNPFEDSA-N -1 1 384.419 1.879 20 0 GDADMM C[C@@H](C(=O)Nc1cc(O)cc(Br)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001573755970 948790389 /nfs/dbraw/zinc/79/03/89/948790389.db2.gz KKNGFJRYENFCKU-LURJTMIESA-N -1 1 379.178 1.126 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cccc2cc[nH]c21 ZINC001574679895 948792827 /nfs/dbraw/zinc/79/28/27/948792827.db2.gz ATHZDHLYWOLKRH-NSHDSACASA-N -1 1 377.412 1.759 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cccc2cc[nH]c21 ZINC001574679895 948792837 /nfs/dbraw/zinc/79/28/37/948792837.db2.gz ATHZDHLYWOLKRH-NSHDSACASA-N -1 1 377.412 1.759 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C2CC2)CC1 ZINC001575224778 948793696 /nfs/dbraw/zinc/79/36/96/948793696.db2.gz YUMOSJXWULOPEO-JTQLQIEISA-N -1 1 378.387 1.399 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C2CC2)CC1 ZINC001575224778 948793707 /nfs/dbraw/zinc/79/37/07/948793707.db2.gz YUMOSJXWULOPEO-JTQLQIEISA-N -1 1 378.387 1.399 20 0 GDADMM CC(F)(F)C1(C(=O)NCC2(Nc3ccnc(-c4nn[n-]n4)n3)CCCC2)CC1 ZINC001575224815 948796011 /nfs/dbraw/zinc/79/60/11/948796011.db2.gz ZJPHFAAWTROWBV-UHFFFAOYSA-N -1 1 392.414 1.355 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cc(Cl)cn1C ZINC001574680488 948803859 /nfs/dbraw/zinc/80/38/59/948803859.db2.gz HJQQGUVHQQVZNQ-VIFPVBQESA-N -1 1 375.824 1.269 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cc(Cl)cn1C ZINC001574680488 948803877 /nfs/dbraw/zinc/80/38/77/948803877.db2.gz HJQQGUVHQQVZNQ-VIFPVBQESA-N -1 1 375.824 1.269 20 0 GDADMM CC(C)c1ccoc1C(=O)N1C[C@@H](C)[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574421050 948811930 /nfs/dbraw/zinc/81/19/30/948811930.db2.gz FBILXJQKUWINIX-RISCZKNCSA-N -1 1 382.428 1.946 20 0 GDADMM CC(C)c1ccoc1C(=O)N1C[C@@H](C)[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574421050 948811945 /nfs/dbraw/zinc/81/19/45/948811945.db2.gz FBILXJQKUWINIX-RISCZKNCSA-N -1 1 382.428 1.946 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@@H]2[C@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575227764 948831552 /nfs/dbraw/zinc/83/15/52/948831552.db2.gz ZLTNABSCQIWXFZ-GHMZBOCLSA-N -1 1 378.387 1.129 20 0 GDADMM CC(C)c1ccsc1C(=O)NC[C@@H](CO)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574424562 948853721 /nfs/dbraw/zinc/85/37/21/948853721.db2.gz PZQBQMCQTHMISM-JTQLQIEISA-N -1 1 388.457 1.044 20 0 GDADMM CC(C)c1ccsc1C(=O)NC[C@@H](CO)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574424562 948853742 /nfs/dbraw/zinc/85/37/42/948853742.db2.gz PZQBQMCQTHMISM-JTQLQIEISA-N -1 1 388.457 1.044 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)Cc1ncc[nH]1 ZINC001574684485 948872179 /nfs/dbraw/zinc/87/21/79/948872179.db2.gz HIGPBTQERBQMJH-SSDOTTSWSA-N -1 1 381.853 1.249 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)Cc1ncc[nH]1 ZINC001574684485 948872196 /nfs/dbraw/zinc/87/21/96/948872196.db2.gz HIGPBTQERBQMJH-SSDOTTSWSA-N -1 1 381.853 1.249 20 0 GDADMM CC(C)(C(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)C(F)(F)F ZINC001573763493 948873458 /nfs/dbraw/zinc/87/34/58/948873458.db2.gz GEZNRXRSZROAOG-UHFFFAOYSA-N -1 1 384.366 1.070 20 0 GDADMM CC(F)(F)CC(=O)NC[C@@H]1CCCCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575231972 948874188 /nfs/dbraw/zinc/87/41/88/948874188.db2.gz CGYBVLZEHMDPPA-NSHDSACASA-N -1 1 380.403 1.567 20 0 GDADMM CC(C)[C@@]1(C)C[C@H]1C(=O)N(C)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574083201 948875503 /nfs/dbraw/zinc/87/55/03/948875503.db2.gz PZUNJFVBWJVSTK-IFXJQAMLSA-N -1 1 384.488 1.766 20 0 GDADMM CC(C)[C@@]1(C)C[C@H]1C(=O)N(C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574083201 948875518 /nfs/dbraw/zinc/87/55/18/948875518.db2.gz PZUNJFVBWJVSTK-IFXJQAMLSA-N -1 1 384.488 1.766 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001575232542 948879848 /nfs/dbraw/zinc/87/98/48/948879848.db2.gz FALRGYUXGLEIBG-QJPTWQEYSA-N -1 1 392.414 1.423 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001575232542 948879870 /nfs/dbraw/zinc/87/98/70/948879870.db2.gz FALRGYUXGLEIBG-QJPTWQEYSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@]1(C)CCOC1 ZINC001574684673 948880354 /nfs/dbraw/zinc/88/03/54/948880354.db2.gz KOAYXEUPAMEJEP-RMLUDKJBSA-N -1 1 385.881 1.710 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575233553 948885724 /nfs/dbraw/zinc/88/57/24/948885724.db2.gz LJRWSBSWBHSEML-GHMZBOCLSA-N -1 1 380.403 1.211 20 0 GDADMM CC(C)c1ncc(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)nn3)CC2)s1 ZINC001574427610 948908560 /nfs/dbraw/zinc/90/85/60/948908560.db2.gz JDQIUFUYBYNYFN-UHFFFAOYSA-N -1 1 385.457 1.611 20 0 GDADMM CC(C)c1ncc(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)nn3)CC2)s1 ZINC001574427610 948908573 /nfs/dbraw/zinc/90/85/73/948908573.db2.gz JDQIUFUYBYNYFN-UHFFFAOYSA-N -1 1 385.457 1.611 20 0 GDADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)c1cnsn1 ZINC001574685688 948915428 /nfs/dbraw/zinc/91/54/28/948915428.db2.gz ZFLSSULBOCZKNA-RXMQYKEDSA-N -1 1 385.866 1.449 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)N1CCC(CCNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574088282 948916192 /nfs/dbraw/zinc/91/61/92/948916192.db2.gz AHUORHFTIXRFCG-LSDHHAIUSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)N1CCC(CCNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574088282 948916209 /nfs/dbraw/zinc/91/62/09/948916209.db2.gz AHUORHFTIXRFCG-LSDHHAIUSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)N1CCC(CCNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574088279 948917851 /nfs/dbraw/zinc/91/78/51/948917851.db2.gz AHUORHFTIXRFCG-CABCVRRESA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)N1CCC(CCNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574088279 948917866 /nfs/dbraw/zinc/91/78/66/948917866.db2.gz AHUORHFTIXRFCG-CABCVRRESA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1)C(F)F ZINC001573765794 948922912 /nfs/dbraw/zinc/92/29/12/948922912.db2.gz HIHLZBRAYFBSMF-MNOVXSKESA-N -1 1 392.414 1.233 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1)C(F)F ZINC001573765794 948922924 /nfs/dbraw/zinc/92/29/24/948922924.db2.gz HIHLZBRAYFBSMF-MNOVXSKESA-N -1 1 392.414 1.233 20 0 GDADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)c1cnn(C)c1 ZINC001574685814 948923178 /nfs/dbraw/zinc/92/31/78/948923178.db2.gz ZXPSLKXFTMQDGA-ZETCQYMHSA-N -1 1 381.853 1.331 20 0 GDADMM CC(C)c1ncncc1C(=O)N[C@@H](C)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574431843 948927127 /nfs/dbraw/zinc/92/71/27/948927127.db2.gz CRKCUCVOJIJQQN-MNOVXSKESA-N -1 1 382.432 1.189 20 0 GDADMM CC(C)c1ncncc1C(=O)N[C@@H](C)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574431843 948927136 /nfs/dbraw/zinc/92/71/36/948927136.db2.gz CRKCUCVOJIJQQN-MNOVXSKESA-N -1 1 382.432 1.189 20 0 GDADMM CC(F)(F)CC(=O)NC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001575235809 948929117 /nfs/dbraw/zinc/92/91/17/948929117.db2.gz YLPHXEPHEIIGPZ-GFCCVEGCSA-N -1 1 388.382 1.971 20 0 GDADMM CC(F)(F)CC(=O)NC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001575235809 948929126 /nfs/dbraw/zinc/92/91/26/948929126.db2.gz YLPHXEPHEIIGPZ-GFCCVEGCSA-N -1 1 388.382 1.971 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573771043 948932761 /nfs/dbraw/zinc/93/27/61/948932761.db2.gz AGFUQIDZWYPSHY-OCCSQVGLSA-N -1 1 384.488 1.602 20 0 GDADMM CC(C)(C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1)C(F)F ZINC001573771427 948938393 /nfs/dbraw/zinc/93/83/93/948938393.db2.gz HBIBSVXOYBJHNH-FGWVZKOKSA-N -1 1 392.414 1.564 20 0 GDADMM CC(C)(C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1)C(F)F ZINC001573771427 948938405 /nfs/dbraw/zinc/93/84/05/948938405.db2.gz HBIBSVXOYBJHNH-FGWVZKOKSA-N -1 1 392.414 1.564 20 0 GDADMM CC(C)(C(=O)N[C@@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C12CCC2)C(F)F ZINC001573771456 948941873 /nfs/dbraw/zinc/94/18/73/948941873.db2.gz HVEVXWXOTWPCQW-WDEREUQCSA-N -1 1 392.414 1.787 20 0 GDADMM CC(C)(C(=O)N[C@@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C12CCC2)C(F)F ZINC001573771456 948941881 /nfs/dbraw/zinc/94/18/81/948941881.db2.gz HVEVXWXOTWPCQW-WDEREUQCSA-N -1 1 392.414 1.787 20 0 GDADMM CC(C)c1ncncc1C(=O)N[C@@H](C)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574432913 948943298 /nfs/dbraw/zinc/94/32/98/948943298.db2.gz PDEVBUBXKXKMFD-MNOVXSKESA-N -1 1 382.432 1.189 20 0 GDADMM CC(C)c1ncncc1C(=O)N[C@@H](C)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574432913 948943305 /nfs/dbraw/zinc/94/33/05/948943305.db2.gz PDEVBUBXKXKMFD-MNOVXSKESA-N -1 1 382.432 1.189 20 0 GDADMM CC(C)(C(=O)N[C@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2)C1CC1 ZINC001573771867 948946972 /nfs/dbraw/zinc/94/69/72/948946972.db2.gz MWJFGKVWUGVRKM-AWEZNQCLSA-N -1 1 382.472 1.568 20 0 GDADMM CC(C)(C(=O)N[C@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2)C1CC1 ZINC001573771867 948946978 /nfs/dbraw/zinc/94/69/78/948946978.db2.gz MWJFGKVWUGVRKM-AWEZNQCLSA-N -1 1 382.472 1.568 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C12CCC2 ZINC001575237838 948948465 /nfs/dbraw/zinc/94/84/65/948948465.db2.gz IKXOOJPZOYOERI-WDEREUQCSA-N -1 1 392.414 1.931 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C12CCC2 ZINC001575237838 948948484 /nfs/dbraw/zinc/94/84/84/948948484.db2.gz IKXOOJPZOYOERI-WDEREUQCSA-N -1 1 392.414 1.931 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1 ZINC001575238384 948953585 /nfs/dbraw/zinc/95/35/85/948953585.db2.gz LZNKCVXNBIMRIG-FOGDFJRCSA-N -1 1 378.387 1.318 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1 ZINC001575238384 948953592 /nfs/dbraw/zinc/95/35/92/948953592.db2.gz LZNKCVXNBIMRIG-FOGDFJRCSA-N -1 1 378.387 1.318 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2)C1CC1 ZINC001573772536 948962775 /nfs/dbraw/zinc/96/27/75/948962775.db2.gz ULHGOFCEJCPDHX-OLZOCXBDSA-N -1 1 382.472 1.354 20 0 GDADMM CC(C)(C(=O)NC[C@H](O)CNc1snc(Cl)c1-c1nnn[n-]1)C1CC1 ZINC001573774113 949000838 /nfs/dbraw/zinc/00/08/38/949000838.db2.gz KKXYOQBNUWXIJI-MRVPVSSYSA-N -1 1 385.881 1.302 20 0 GDADMM CC(C)(C(=O)NC[C@H](O)CNc1snc(Cl)c1-c1nn[n-]n1)C1CC1 ZINC001573774113 949000854 /nfs/dbraw/zinc/00/08/54/949000854.db2.gz KKXYOQBNUWXIJI-MRVPVSSYSA-N -1 1 385.881 1.302 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)C1(c2cccnc2)CC1 ZINC001574691853 949033025 /nfs/dbraw/zinc/03/30/25/949033025.db2.gz ZAMNLCCXQJWVTK-LBPRGKRZSA-N -1 1 379.428 1.090 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)C1(c2cccnc2)CC1 ZINC001574691853 949033047 /nfs/dbraw/zinc/03/30/47/949033047.db2.gz ZAMNLCCXQJWVTK-LBPRGKRZSA-N -1 1 379.428 1.090 20 0 GDADMM C[C@@H](CN(C)C(=O)C(C)(C)CC(F)(F)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574692892 949041581 /nfs/dbraw/zinc/04/15/81/949041581.db2.gz CEVMAFOMDIBAJO-VIFPVBQESA-N -1 1 386.382 1.894 20 0 GDADMM C[C@@H](CN(C)C(=O)C(C)(C)CC(F)(F)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574692892 949041601 /nfs/dbraw/zinc/04/16/01/949041601.db2.gz CEVMAFOMDIBAJO-VIFPVBQESA-N -1 1 386.382 1.894 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1CCCC1 ZINC001573779228 949055556 /nfs/dbraw/zinc/05/55/56/949055556.db2.gz DRKBVXOYYJSFOD-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1CCCC1 ZINC001573779228 949055564 /nfs/dbraw/zinc/05/55/64/949055564.db2.gz DRKBVXOYYJSFOD-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccccc1 ZINC001573779314 949057528 /nfs/dbraw/zinc/05/75/28/949057528.db2.gz HFQPHJKRAZVVDG-AWEZNQCLSA-N -1 1 392.467 1.577 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccccc1 ZINC001573779314 949057542 /nfs/dbraw/zinc/05/75/42/949057542.db2.gz HFQPHJKRAZVVDG-AWEZNQCLSA-N -1 1 392.467 1.577 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)NC1CC2(C1)CC(Nc1ccnc(-c3nn[n-]n3)n1)C2 ZINC001574092881 949082934 /nfs/dbraw/zinc/08/29/34/949082934.db2.gz UWKIZJNDYPIHFJ-LKRWXEKCSA-N -1 1 382.472 1.210 20 0 GDADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)NCC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001574092943 949086837 /nfs/dbraw/zinc/08/68/37/949086837.db2.gz UPTXPWUZXDPURS-AUUYWEPGSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)NCC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001574092943 949086855 /nfs/dbraw/zinc/08/68/55/949086855.db2.gz UPTXPWUZXDPURS-AUUYWEPGSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C(C)C ZINC001574441989 949088427 /nfs/dbraw/zinc/08/84/27/949088427.db2.gz IBTBNESIADLQBA-GFCCVEGCSA-N -1 1 385.432 1.635 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C(C)C ZINC001574441989 949088448 /nfs/dbraw/zinc/08/84/48/949088448.db2.gz IBTBNESIADLQBA-GFCCVEGCSA-N -1 1 385.432 1.635 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)NCC1(C)CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001574093197 949091636 /nfs/dbraw/zinc/09/16/36/949091636.db2.gz UZVRRNAJSRNMRR-ZIAGYGMSSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)NCC1(C)CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001574093197 949091655 /nfs/dbraw/zinc/09/16/55/949091655.db2.gz UZVRRNAJSRNMRR-ZIAGYGMSSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)(C(=O)NCCC1(CNc2cncc(-c3nnn[n-]3)n2)CC1)C(F)F ZINC001573781343 949103767 /nfs/dbraw/zinc/10/37/67/949103767.db2.gz FLZLVRBQJVSAMZ-UHFFFAOYSA-N -1 1 380.403 1.646 20 0 GDADMM CC(C)(C(=O)NCCC1(CNc2cncc(-c3nn[n-]n3)n2)CC1)C(F)F ZINC001573781343 949103775 /nfs/dbraw/zinc/10/37/75/949103775.db2.gz FLZLVRBQJVSAMZ-UHFFFAOYSA-N -1 1 380.403 1.646 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cnc(C2CC2)s1 ZINC001574695382 949109565 /nfs/dbraw/zinc/10/95/65/949109565.db2.gz GRXCXKDWAHYETR-SECBINFHSA-N -1 1 385.457 1.611 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cnc(C2CC2)s1 ZINC001574695382 949109583 /nfs/dbraw/zinc/10/95/83/949109583.db2.gz GRXCXKDWAHYETR-SECBINFHSA-N -1 1 385.457 1.611 20 0 GDADMM CC(C)[C@H]1CCC[C@H](NC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC1 ZINC001574094136 949126498 /nfs/dbraw/zinc/12/64/98/949126498.db2.gz XRMWOHYGKZXLNO-STQMWFEESA-N -1 1 389.460 1.240 20 0 GDADMM CC(C)c1ocnc1C(=O)N1C[C@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574446420 949126786 /nfs/dbraw/zinc/12/67/86/949126786.db2.gz PPSVKSSKADEKME-CMPLNLGQSA-N -1 1 383.416 1.341 20 0 GDADMM CC(C)c1ocnc1C(=O)N1C[C@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574446420 949126800 /nfs/dbraw/zinc/12/68/00/949126800.db2.gz PPSVKSSKADEKME-CMPLNLGQSA-N -1 1 383.416 1.341 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)Cc1ccon1 ZINC001574696435 949131803 /nfs/dbraw/zinc/13/18/03/949131803.db2.gz QPHYTHIQXKQXDQ-ZETCQYMHSA-N -1 1 382.837 1.514 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)Cc1ccon1 ZINC001574696435 949131822 /nfs/dbraw/zinc/13/18/22/949131822.db2.gz QPHYTHIQXKQXDQ-ZETCQYMHSA-N -1 1 382.837 1.514 20 0 GDADMM CC(C)c1occc1C(=O)NC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001574446629 949136151 /nfs/dbraw/zinc/13/61/51/949136151.db2.gz UGJGAYVQRGVKAF-LBPRGKRZSA-N -1 1 382.428 1.629 20 0 GDADMM CC(C)c1occc1C(=O)NC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001574446629 949136164 /nfs/dbraw/zinc/13/61/64/949136164.db2.gz UGJGAYVQRGVKAF-LBPRGKRZSA-N -1 1 382.428 1.629 20 0 GDADMM CC(C)c1occc1C(=O)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574446829 949139966 /nfs/dbraw/zinc/13/99/66/949139966.db2.gz XURGCGOMGPEIAF-UHFFFAOYSA-N -1 1 382.428 1.726 20 0 GDADMM CC(C)c1occc1C(=O)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574446829 949139972 /nfs/dbraw/zinc/13/99/72/949139972.db2.gz XURGCGOMGPEIAF-UHFFFAOYSA-N -1 1 382.428 1.726 20 0 GDADMM C[C@H](NC(=O)C1(Cc2ccccc2)CC1)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575251590 949144051 /nfs/dbraw/zinc/14/40/51/949144051.db2.gz BPVJADAINOOXOO-KBPBESRZSA-N -1 1 392.467 1.407 20 0 GDADMM C[C@@H](NC(=O)C1(c2ccccc2)CC1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575251795 949148953 /nfs/dbraw/zinc/14/89/53/949148953.db2.gz CULYSIHDMYKDKO-QWHCGFSZSA-N -1 1 378.440 1.694 20 0 GDADMM C[C@@H](NC(=O)C1(c2ccccc2)CC1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575251795 949148941 /nfs/dbraw/zinc/14/89/41/949148941.db2.gz CULYSIHDMYKDKO-QWHCGFSZSA-N -1 1 378.440 1.694 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574446990 949149691 /nfs/dbraw/zinc/14/96/91/949149691.db2.gz FBXNBKWUUHWBID-LLVKDONJSA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574446990 949149707 /nfs/dbraw/zinc/14/97/07/949149707.db2.gz FBXNBKWUUHWBID-LLVKDONJSA-N -1 1 383.416 1.485 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cc2c(s1)CCC2 ZINC001574697165 949150422 /nfs/dbraw/zinc/15/04/22/949150422.db2.gz ZILIBDWULYLVQP-SNVBAGLBSA-N -1 1 384.469 1.827 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cc2c(s1)CCC2 ZINC001574697165 949150428 /nfs/dbraw/zinc/15/04/28/949150428.db2.gz ZILIBDWULYLVQP-SNVBAGLBSA-N -1 1 384.469 1.827 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C(C)C ZINC001574447599 949165807 /nfs/dbraw/zinc/16/58/07/949165807.db2.gz UHPGPMXLPPPWLD-LLVKDONJSA-N -1 1 385.432 1.057 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574447585 949165943 /nfs/dbraw/zinc/16/59/43/949165943.db2.gz UBEZNZBHINVGHA-UHFFFAOYSA-N -1 1 383.416 1.121 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574447585 949165962 /nfs/dbraw/zinc/16/59/62/949165962.db2.gz UBEZNZBHINVGHA-UHFFFAOYSA-N -1 1 383.416 1.121 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)C1CCOCC1 ZINC001573787323 949173883 /nfs/dbraw/zinc/17/38/83/949173883.db2.gz SYSRQXZNWDJSRB-BETUJISGSA-N -1 1 386.460 1.169 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)C1CCOCC1 ZINC001573787323 949173896 /nfs/dbraw/zinc/17/38/96/949173896.db2.gz SYSRQXZNWDJSRB-BETUJISGSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@@H](NC(=O)C1(C2CC2)CC1)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575253583 949194941 /nfs/dbraw/zinc/19/49/41/949194941.db2.gz KUYCUYFDBISZIQ-OLZOCXBDSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(F)cc1F)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574935393 949199194 /nfs/dbraw/zinc/19/91/94/949199194.db2.gz BFOZKPAMMNYKCJ-SNVBAGLBSA-N -1 1 388.382 1.342 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(F)cc1F)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574935393 949199208 /nfs/dbraw/zinc/19/92/08/949199208.db2.gz BFOZKPAMMNYKCJ-SNVBAGLBSA-N -1 1 388.382 1.342 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(F)cc1F)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574935363 949199832 /nfs/dbraw/zinc/19/98/32/949199832.db2.gz AUNTZDFWQSHAPC-SNVBAGLBSA-N -1 1 388.382 1.119 20 0 GDADMM CC(C)c1oncc1C(=O)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001574449948 949207309 /nfs/dbraw/zinc/20/73/09/949207309.db2.gz XGNWMONXUHOGKF-UHFFFAOYSA-N -1 1 383.416 1.121 20 0 GDADMM CC(C)c1oncc1C(=O)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001574449948 949207334 /nfs/dbraw/zinc/20/73/34/949207334.db2.gz XGNWMONXUHOGKF-UHFFFAOYSA-N -1 1 383.416 1.121 20 0 GDADMM CC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CC1 ZINC001575853249 949209445 /nfs/dbraw/zinc/20/94/45/949209445.db2.gz MPKFNSRJCPTHMA-VIKVFOODSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CC1 ZINC001575853249 949209467 /nfs/dbraw/zinc/20/94/67/949209467.db2.gz MPKFNSRJCPTHMA-VIKVFOODSA-N -1 1 382.472 1.886 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001574451066 949213274 /nfs/dbraw/zinc/21/32/74/949213274.db2.gz AJYRFCFOIAPHJU-LLVKDONJSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001574451066 949213296 /nfs/dbraw/zinc/21/32/96/949213296.db2.gz AJYRFCFOIAPHJU-LLVKDONJSA-N -1 1 383.416 1.167 20 0 GDADMM C[C@H](NC(=O)C(C)(C)c1ccccc1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575254764 949215956 /nfs/dbraw/zinc/21/59/56/949215956.db2.gz XOEGMRNFWSRWPD-STQMWFEESA-N -1 1 380.456 1.940 20 0 GDADMM C[C@H](NC(=O)C(C)(C)c1ccccc1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575254764 949215976 /nfs/dbraw/zinc/21/59/76/949215976.db2.gz XOEGMRNFWSRWPD-STQMWFEESA-N -1 1 380.456 1.940 20 0 GDADMM C[C@H]1CCC[C@]1(C)C(=O)NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576151556 949226462 /nfs/dbraw/zinc/22/64/62/949226462.db2.gz GOKYCQJVEQZDBT-DJJJIMSYSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)CC(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1ccnc(-c2nn[n-]n2)n1 ZINC001574103280 949235590 /nfs/dbraw/zinc/23/55/90/949235590.db2.gz PJBDGZSEGKWJSD-XQLPTFJDSA-N -1 1 382.472 1.376 20 0 GDADMM C[C@H]1CCC[C@]1(C)C(=O)NCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576151948 949238592 /nfs/dbraw/zinc/23/85/92/949238592.db2.gz GWPQLRNNFCOTIA-DJJJIMSYSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H]1CCC[C@]1(C)C(=O)NCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576151948 949238614 /nfs/dbraw/zinc/23/86/14/949238614.db2.gz GWPQLRNNFCOTIA-DJJJIMSYSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](NC(=O)C1(CCF)CC1)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575256231 949247354 /nfs/dbraw/zinc/24/73/54/949247354.db2.gz UJMLPYGJQVABEJ-QWHCGFSZSA-N -1 1 388.451 1.518 20 0 GDADMM C[C@H](NC(=O)C1(CCF)CC1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575256231 949247376 /nfs/dbraw/zinc/24/73/76/949247376.db2.gz UJMLPYGJQVABEJ-QWHCGFSZSA-N -1 1 388.451 1.518 20 0 GDADMM C[C@@H](C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nnn[n-]1)c1cccc(F)c1 ZINC001574700299 949256049 /nfs/dbraw/zinc/25/60/49/949256049.db2.gz ZBRZTYYOJKDGHE-NWDGAFQWSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@@H](C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nn[n-]n1)c1cccc(F)c1 ZINC001574700299 949256067 /nfs/dbraw/zinc/25/60/67/949256067.db2.gz ZBRZTYYOJKDGHE-NWDGAFQWSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(F)c1F)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574940587 949265873 /nfs/dbraw/zinc/26/58/73/949265873.db2.gz HGGMWUWPWQIRBV-SNVBAGLBSA-N -1 1 388.382 1.342 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(F)c1F)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574940587 949265896 /nfs/dbraw/zinc/26/58/96/949265896.db2.gz HGGMWUWPWQIRBV-SNVBAGLBSA-N -1 1 388.382 1.342 20 0 GDADMM C[C@@H](NC(=O)C1(CF)CCC1)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575257156 949268151 /nfs/dbraw/zinc/26/81/51/949268151.db2.gz YNGTZYKYFQMFFH-CHWSQXEVSA-N -1 1 388.451 1.518 20 0 GDADMM C[C@@H](NC(=O)C1(CF)CCC1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575257156 949268169 /nfs/dbraw/zinc/26/81/69/949268169.db2.gz YNGTZYKYFQMFFH-CHWSQXEVSA-N -1 1 388.451 1.518 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccco1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574940859 949280892 /nfs/dbraw/zinc/28/08/92/949280892.db2.gz LBHLHRBUVWDGSF-QMMMGPOBSA-N -1 1 381.849 1.977 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccco1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574940859 949280909 /nfs/dbraw/zinc/28/09/09/949280909.db2.gz LBHLHRBUVWDGSF-QMMMGPOBSA-N -1 1 381.849 1.977 20 0 GDADMM C[C@@H]1CCC[C@@]1(C)C(=O)N1CCC(N(C)c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576153171 949282886 /nfs/dbraw/zinc/28/28/86/949282886.db2.gz LDHWUVWIFSPEFJ-BFUOFWGJSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCC[C@@]1(C)C(=O)N1CCC(N(C)c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576153171 949282907 /nfs/dbraw/zinc/28/29/07/949282907.db2.gz LDHWUVWIFSPEFJ-BFUOFWGJSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)n1cc(C(C)(C)NC(=O)NCc2ccc(-c3nn[n-]n3)s2)nn1 ZINC001574454978 949295530 /nfs/dbraw/zinc/29/55/30/949295530.db2.gz KGQUSNZVMZSJSD-UHFFFAOYSA-N -1 1 375.462 1.835 20 0 GDADMM C[C@@H](CN(C)C(=O)C1(C(F)F)CCCC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574702765 949296209 /nfs/dbraw/zinc/29/62/09/949296209.db2.gz LMOMMLROXGKHEE-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CN(C)C(=O)C1(C(F)F)CCCC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574702765 949296224 /nfs/dbraw/zinc/29/62/24/949296224.db2.gz LMOMMLROXGKHEE-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)(C)C(=O)C(=O)N[C@H]1C[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573793567 949299889 /nfs/dbraw/zinc/29/98/89/949299889.db2.gz VDKAGOGRWSCFFF-LJGSYFOKSA-N -1 1 383.865 1.651 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@]1(C)CCOC1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574703073 949308449 /nfs/dbraw/zinc/30/84/49/949308449.db2.gz QHINWJXPHXFHAB-CLAHSXSESA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc2c(c1)CCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001574942134 949337708 /nfs/dbraw/zinc/33/77/08/949337708.db2.gz WDUFBYLRJMQHIY-LBPRGKRZSA-N -1 1 378.440 1.305 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc2c(c1)CCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001574942134 949337733 /nfs/dbraw/zinc/33/77/33/949337733.db2.gz WDUFBYLRJMQHIY-LBPRGKRZSA-N -1 1 378.440 1.305 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ccn[nH]1 ZINC001576155025 949377091 /nfs/dbraw/zinc/37/70/91/949377091.db2.gz GDEYPFABYSHMLV-APPDUMDISA-N -1 1 382.432 1.171 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574463815 949381189 /nfs/dbraw/zinc/38/11/89/949381189.db2.gz BODPQANAYFQJIR-GOSISDBHSA-N -1 1 381.444 1.438 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574463815 949381221 /nfs/dbraw/zinc/38/12/21/949381221.db2.gz BODPQANAYFQJIR-GOSISDBHSA-N -1 1 381.444 1.438 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2(C(F)F)CC2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575865833 949386621 /nfs/dbraw/zinc/38/66/21/949386621.db2.gz BZQQGOBGCKXYNN-UWVGGRQHSA-N -1 1 378.387 1.176 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2(C(F)F)CC2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575865833 949386641 /nfs/dbraw/zinc/38/66/41/949386641.db2.gz BZQQGOBGCKXYNN-UWVGGRQHSA-N -1 1 378.387 1.176 20 0 GDADMM C[C@H](CNC(=O)Cc1cnoc1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574944341 949388213 /nfs/dbraw/zinc/38/82/13/949388213.db2.gz ANARNKOCFUOLAM-SSDOTTSWSA-N -1 1 382.837 1.148 20 0 GDADMM C[C@H](CNC(=O)Cc1cnoc1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574944341 949388235 /nfs/dbraw/zinc/38/82/35/949388235.db2.gz ANARNKOCFUOLAM-SSDOTTSWSA-N -1 1 382.837 1.148 20 0 GDADMM C[C@@H](CNC(=O)Cc1csc(C2CC2)n1)Nc1nccnc1-c1nnn[n-]1 ZINC001574944380 949390180 /nfs/dbraw/zinc/39/01/80/949390180.db2.gz CCMCFAUONDLOHQ-VIFPVBQESA-N -1 1 385.457 1.150 20 0 GDADMM C[C@@H](CNC(=O)Cc1csc(C2CC2)n1)Nc1nccnc1-c1nn[n-]n1 ZINC001574944380 949390196 /nfs/dbraw/zinc/39/01/96/949390196.db2.gz CCMCFAUONDLOHQ-VIFPVBQESA-N -1 1 385.457 1.150 20 0 GDADMM CC1(C)CN(C(=O)[C@@]2(C)CCCOC2)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575528196 949390160 /nfs/dbraw/zinc/39/01/60/949390160.db2.gz OLGLZOJGSVUWOR-UGSOOPFHSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CN(C(=O)[C@@]2(C)CCCOC2)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575528196 949390179 /nfs/dbraw/zinc/39/01/79/949390179.db2.gz OLGLZOJGSVUWOR-UGSOOPFHSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H](NC(=O)CC(C)(C)C(F)(F)F)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575263111 949391019 /nfs/dbraw/zinc/39/10/19/949391019.db2.gz DQJUPFJJGPJALB-IUCAKERBSA-N -1 1 386.382 1.940 20 0 GDADMM C[C@H](NC(=O)CC(C)(C)C(F)(F)F)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575263111 949391038 /nfs/dbraw/zinc/39/10/38/949391038.db2.gz DQJUPFJJGPJALB-IUCAKERBSA-N -1 1 386.382 1.940 20 0 GDADMM CC1(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2nc(Cl)c(-c3nnn[n-]3)s2)CC1 ZINC001575528364 949397070 /nfs/dbraw/zinc/39/70/70/949397070.db2.gz UDCZIANFCOQKQG-DTORHVGOSA-N -1 1 379.877 1.956 20 0 GDADMM CC1(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2nc(Cl)c(-c3nn[n-]n3)s2)CC1 ZINC001575528364 949397089 /nfs/dbraw/zinc/39/70/89/949397089.db2.gz UDCZIANFCOQKQG-DTORHVGOSA-N -1 1 379.877 1.956 20 0 GDADMM C[C@H]1C(=O)Nc2ccccc2CN1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001575866301 949402412 /nfs/dbraw/zinc/40/24/12/949402412.db2.gz RGXBSHGSIOPWSJ-JTQLQIEISA-N -1 1 383.437 1.981 20 0 GDADMM C[C@H](NC(=O)CC(F)(F)F)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575264203 949418722 /nfs/dbraw/zinc/41/87/22/949418722.db2.gz MWNSQLXNQYXDJS-VHSXEESVSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](NC(=O)CC(F)(F)F)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575264203 949418731 /nfs/dbraw/zinc/41/87/31/949418731.db2.gz MWNSQLXNQYXDJS-VHSXEESVSA-N -1 1 384.366 1.330 20 0 GDADMM CC1(C(=O)N2CCC([C@@H]3CCCN3c3cnc(-c4nnn[n-]4)cn3)CC2)CC1 ZINC001575533606 949421496 /nfs/dbraw/zinc/42/14/96/949421496.db2.gz HRVQUOINKQLBIU-HNNXBMFYSA-N -1 1 382.472 1.664 20 0 GDADMM CC1(C(=O)N2CCC([C@@H]3CCCN3c3cnc(-c4nn[n-]n4)cn3)CC2)CC1 ZINC001575533606 949421507 /nfs/dbraw/zinc/42/15/07/949421507.db2.gz HRVQUOINKQLBIU-HNNXBMFYSA-N -1 1 382.472 1.664 20 0 GDADMM C[C@H]1CCC[C@]1(C)C(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001576155921 949422966 /nfs/dbraw/zinc/42/29/66/949422966.db2.gz WDERUYLMMYVNPG-PJHJGJPPSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H]1CCC[C@]1(C)C(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001576155921 949422973 /nfs/dbraw/zinc/42/29/73/949422973.db2.gz WDERUYLMMYVNPG-PJHJGJPPSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H](CNC(=O)Cc1coc2ccccc12)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574945962 949425346 /nfs/dbraw/zinc/42/53/46/949425346.db2.gz QIGTYKSEEXEKMK-LBPRGKRZSA-N -1 1 392.423 1.587 20 0 GDADMM C[C@@H](CNC(=O)Cc1coc2ccccc12)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574945962 949425363 /nfs/dbraw/zinc/42/53/63/949425363.db2.gz QIGTYKSEEXEKMK-LBPRGKRZSA-N -1 1 392.423 1.587 20 0 GDADMM C[C@@H]1CCC[C@@]1(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001576156664 949453659 /nfs/dbraw/zinc/45/36/59/949453659.db2.gz ZAAHZLNTHNPDBP-VYGYDYRJSA-N -1 1 382.472 1.663 20 0 GDADMM CC(C)n1nccc1C(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574468552 949463755 /nfs/dbraw/zinc/46/37/55/949463755.db2.gz PNQYVYCERWENCO-GFCCVEGCSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1nccc1C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574468552 949463775 /nfs/dbraw/zinc/46/37/75/949463775.db2.gz PNQYVYCERWENCO-GFCCVEGCSA-N -1 1 382.432 1.151 20 0 GDADMM CC1(C(=O)N2CC[C@@]3(C2)CCCN(c2cnc(-c4nnn[n-]4)cn2)C3)CCC1 ZINC001575536612 949476191 /nfs/dbraw/zinc/47/61/91/949476191.db2.gz KQMYZULFABHJDO-IBGZPJMESA-N -1 1 382.472 1.666 20 0 GDADMM CC1(C(=O)N2CC[C@@]3(C2)CCCN(c2cnc(-c4nn[n-]n4)cn2)C3)CCC1 ZINC001575536612 949476201 /nfs/dbraw/zinc/47/62/01/949476201.db2.gz KQMYZULFABHJDO-IBGZPJMESA-N -1 1 382.472 1.666 20 0 GDADMM CC(C)CC(=O)NC[C@H]1COCCN1c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574118000 949487125 /nfs/dbraw/zinc/48/71/25/949487125.db2.gz COCSJVNBRXXUQK-VIFPVBQESA-N -1 1 385.881 1.344 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccco1 ZINC001576158792 949500073 /nfs/dbraw/zinc/50/00/73/949500073.db2.gz UNIVVWXWWUJUDZ-KZULUSFZSA-N -1 1 382.428 1.462 20 0 GDADMM C[C@@H](NC(=O)CCC(F)F)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575268529 949522003 /nfs/dbraw/zinc/52/20/03/949522003.db2.gz NJDRULFBRBHFCJ-MNOVXSKESA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](NC(=O)CCC(F)F)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575268529 949522024 /nfs/dbraw/zinc/52/20/24/949522024.db2.gz NJDRULFBRBHFCJ-MNOVXSKESA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](NC(=O)CCC(F)F)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575268527 949523046 /nfs/dbraw/zinc/52/30/46/949523046.db2.gz NJDRULFBRBHFCJ-GHMZBOCLSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](NC(=O)CCC(F)F)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575268527 949523064 /nfs/dbraw/zinc/52/30/64/949523064.db2.gz NJDRULFBRBHFCJ-GHMZBOCLSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](NC(=O)CCC(F)F)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575268572 949524069 /nfs/dbraw/zinc/52/40/69/949524069.db2.gz NXDLBZKVRLPBTN-GHMZBOCLSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](NC(=O)CCC(F)F)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575268572 949524090 /nfs/dbraw/zinc/52/40/90/949524090.db2.gz NXDLBZKVRLPBTN-GHMZBOCLSA-N -1 1 380.403 1.423 20 0 GDADMM CC1(C(=O)N2CCC[C@@H](CCNc3ccnc(-c4nn[n-]n4)n3)C2)CCCC1 ZINC001575538697 949528573 /nfs/dbraw/zinc/52/85/73/949528573.db2.gz JAUHBRNVSVBKQY-AWEZNQCLSA-N -1 1 384.488 1.700 20 0 GDADMM C[C@@H]1CCC[C@H]1CC(=O)NC1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576160168 949529250 /nfs/dbraw/zinc/52/92/50/949529250.db2.gz ZXOLQAADYRVLJD-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCC[C@H]1CC(=O)NC1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576160168 949529268 /nfs/dbraw/zinc/52/92/68/949529268.db2.gz ZXOLQAADYRVLJD-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1CCc2cccnc21)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574711458 949535045 /nfs/dbraw/zinc/53/50/45/949535045.db2.gz HNELNMMASZZFDZ-AAEUAGOBSA-N -1 1 379.428 1.041 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1CCc2cccnc21)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574711458 949535065 /nfs/dbraw/zinc/53/50/65/949535065.db2.gz HNELNMMASZZFDZ-AAEUAGOBSA-N -1 1 379.428 1.041 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2C(C)(C)C2(C)C)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575872171 949538511 /nfs/dbraw/zinc/53/85/11/949538511.db2.gz HAUSKKYUDCMCNB-RYUDHWBXSA-N -1 1 384.488 1.812 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2C(C)(C)C2(C)C)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575872171 949538532 /nfs/dbraw/zinc/53/85/32/949538532.db2.gz HAUSKKYUDCMCNB-RYUDHWBXSA-N -1 1 384.488 1.812 20 0 GDADMM C[C@@H](NC(=O)CC1(O)CCC1)[C@@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001575269217 949540771 /nfs/dbraw/zinc/54/07/71/949540771.db2.gz SLGUDPRRMYPNBZ-HTQZYQBOSA-N -1 1 385.881 1.587 20 0 GDADMM C[C@@H](NC(=O)CC1(O)CCC1)[C@@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575269217 949540788 /nfs/dbraw/zinc/54/07/88/949540788.db2.gz SLGUDPRRMYPNBZ-HTQZYQBOSA-N -1 1 385.881 1.587 20 0 GDADMM C[C@@H](NC(=O)CC1CCCC1)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575269245 949541371 /nfs/dbraw/zinc/54/13/71/949541371.db2.gz SMVMPVZVZZHOPW-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CCC(C)(F)F)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575872661 949550601 /nfs/dbraw/zinc/55/06/01/949550601.db2.gz KRYQTAXIQGNNHV-GHMZBOCLSA-N -1 1 380.403 1.566 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CCC(C)(F)F)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575872661 949550620 /nfs/dbraw/zinc/55/06/20/949550620.db2.gz KRYQTAXIQGNNHV-GHMZBOCLSA-N -1 1 380.403 1.566 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2CC(F)(F)C2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576164499 949552916 /nfs/dbraw/zinc/55/29/16/949552916.db2.gz GRACBXYTONYCJS-PWSUYJOCSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2CC(F)(F)C2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576164499 949552932 /nfs/dbraw/zinc/55/29/32/949552932.db2.gz GRACBXYTONYCJS-PWSUYJOCSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C23CCC(CC2)C3)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575872709 949558491 /nfs/dbraw/zinc/55/84/91/949558491.db2.gz LAYRDGRHIQPOPR-QWHDWNGZSA-N -1 1 382.472 1.711 20 0 GDADMM CC(C)CC(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574124159 949567569 /nfs/dbraw/zinc/56/75/69/949567569.db2.gz DOIIPLJVPIMOOH-RDTXWAMCSA-N -1 1 378.440 1.897 20 0 GDADMM CC(C)CC(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574124159 949567588 /nfs/dbraw/zinc/56/75/88/949567588.db2.gz DOIIPLJVPIMOOH-RDTXWAMCSA-N -1 1 378.440 1.897 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2CC(F)(F)C2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575873176 949570704 /nfs/dbraw/zinc/57/07/04/949570704.db2.gz ODCDXZPDGWFDLW-ONGXEEELSA-N -1 1 378.387 1.176 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574475528 949572329 /nfs/dbraw/zinc/57/23/29/949572329.db2.gz BELUELKLZUIFSW-UWVGGRQHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H]1CCCC[C@H]1OCC(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001576166507 949581693 /nfs/dbraw/zinc/58/16/93/949581693.db2.gz MPOQAGPYAIOOCT-RGCMKSIDSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H]1CCCC[C@H]1OCC(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001576166507 949581713 /nfs/dbraw/zinc/58/17/13/949581713.db2.gz MPOQAGPYAIOOCT-RGCMKSIDSA-N -1 1 386.460 1.311 20 0 GDADMM CC(C)C[C@H](C(=O)N(C)CCNc1cncc(-c2nnn[n-]2)n1)n1ccnc1 ZINC001574126078 949601194 /nfs/dbraw/zinc/60/11/94/949601194.db2.gz YYTYTJGSODMJQO-CQSZACIVSA-N -1 1 384.448 1.011 20 0 GDADMM CC(C)C[C@H](C(=O)N(C)CCNc1cncc(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574126078 949601206 /nfs/dbraw/zinc/60/12/06/949601206.db2.gz YYTYTJGSODMJQO-CQSZACIVSA-N -1 1 384.448 1.011 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2C(C)(C)C2(C)C)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575874243 949603771 /nfs/dbraw/zinc/60/37/71/949603771.db2.gz SMMWOCOGKUSQJR-NEPJUHHUSA-N -1 1 384.488 1.812 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2C(C)(C)C2(C)C)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575874243 949603785 /nfs/dbraw/zinc/60/37/85/949603785.db2.gz SMMWOCOGKUSQJR-NEPJUHHUSA-N -1 1 384.488 1.812 20 0 GDADMM CC1(C(=O)N2CCCC[C@H]2[C@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575546438 949608357 /nfs/dbraw/zinc/60/83/57/949608357.db2.gz QGHPZNYSTDQYEH-KGLIPLIRSA-N -1 1 382.472 1.807 20 0 GDADMM C[C@H]1CCCN(C(=O)C2(F)CCCC2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576167580 949613775 /nfs/dbraw/zinc/61/37/75/949613775.db2.gz QZCXTTYSWLIBJM-GXTWGEPZSA-N -1 1 388.451 1.978 20 0 GDADMM C[C@H]1CCCN(C(=O)C2(F)CCCC2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576167580 949613784 /nfs/dbraw/zinc/61/37/84/949613784.db2.gz QZCXTTYSWLIBJM-GXTWGEPZSA-N -1 1 388.451 1.978 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CCc2ccco2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575874839 949623586 /nfs/dbraw/zinc/62/35/86/949623586.db2.gz HIPQQBPSFFLQRT-TZMCWYRMSA-N -1 1 382.428 1.356 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CCc2ccco2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575874839 949623599 /nfs/dbraw/zinc/62/35/99/949623599.db2.gz HIPQQBPSFFLQRT-TZMCWYRMSA-N -1 1 382.428 1.356 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)CNc1nccnc1-c1nnn[n-]1 ZINC001574957879 949638377 /nfs/dbraw/zinc/63/83/77/949638377.db2.gz BQHNXZYJHCGWKW-IAMHBRQHSA-N -1 1 392.467 1.799 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)CNc1nccnc1-c1nn[n-]n1 ZINC001574957879 949638400 /nfs/dbraw/zinc/63/84/00/949638400.db2.gz BQHNXZYJHCGWKW-IAMHBRQHSA-N -1 1 392.467 1.799 20 0 GDADMM C[C@H](NC(=O)CCCC1CCOCC1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575272303 949641478 /nfs/dbraw/zinc/64/14/78/949641478.db2.gz ORKADXWAZAENOJ-STQMWFEESA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H](NC(=O)CCCC1CCOCC1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575272303 949641492 /nfs/dbraw/zinc/64/14/92/949641492.db2.gz ORKADXWAZAENOJ-STQMWFEESA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1Cc2ccccc21 ZINC001573815198 949646687 /nfs/dbraw/zinc/64/66/87/949646687.db2.gz GVZZQPGIGSIVFY-HUUCEWRRSA-N -1 1 392.467 1.361 20 0 GDADMM C[C@@]1(C(=O)N2CCN(c3nc(-c4nn[n-]n4)c(Cl)s3)CC2)CCOC1 ZINC001575547920 949649380 /nfs/dbraw/zinc/64/93/80/949649380.db2.gz KFPCDQUTXHBIGW-CQSZACIVSA-N -1 1 383.865 1.052 20 0 GDADMM C[C@@H](CC(=O)N(C)CCN(C)c1cncc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001574477339 949651096 /nfs/dbraw/zinc/65/10/96/949651096.db2.gz QJMKVUXHTCGAQC-AWEZNQCLSA-N -1 1 380.456 1.745 20 0 GDADMM C[C@@H](CC(=O)N(C)CCN(C)c1cncc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001574477339 949651110 /nfs/dbraw/zinc/65/11/10/949651110.db2.gz QJMKVUXHTCGAQC-AWEZNQCLSA-N -1 1 380.456 1.745 20 0 GDADMM CC1(C(=O)N2CCO[C@@H](CNc3snc(Cl)c3-c3nnn[n-]3)C2)CC1 ZINC001575547982 949651502 /nfs/dbraw/zinc/65/15/02/949651502.db2.gz LJNBIITVQXIXLP-QMMMGPOBSA-N -1 1 383.865 1.416 20 0 GDADMM CC1(C(=O)N2CCO[C@@H](CNc3snc(Cl)c3-c3nn[n-]n3)C2)CC1 ZINC001575547982 949651515 /nfs/dbraw/zinc/65/15/15/949651515.db2.gz LJNBIITVQXIXLP-QMMMGPOBSA-N -1 1 383.865 1.416 20 0 GDADMM C[C@H](CC(=O)N(C)CCN(C)c1cnc(-c2nnn[n-]2)cn1)c1ccncc1 ZINC001574477426 949656484 /nfs/dbraw/zinc/65/64/84/949656484.db2.gz QZIRWMDAKVCYGH-CYBMUJFWSA-N -1 1 381.444 1.140 20 0 GDADMM C[C@H](CC(=O)N(C)CCN(C)c1cnc(-c2nn[n-]n2)cn1)c1ccncc1 ZINC001574477426 949656505 /nfs/dbraw/zinc/65/65/05/949656505.db2.gz QZIRWMDAKVCYGH-CYBMUJFWSA-N -1 1 381.444 1.140 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CC1CCOCC1 ZINC001573815790 949656978 /nfs/dbraw/zinc/65/69/78/949656978.db2.gz KBYXHWKGJTWJRQ-CQSZACIVSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CC1CCOCC1 ZINC001573815790 949657000 /nfs/dbraw/zinc/65/70/00/949657000.db2.gz KBYXHWKGJTWJRQ-CQSZACIVSA-N -1 1 388.476 1.416 20 0 GDADMM CCC[C@H]1CN(C(=O)NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)CCN1CCOC ZINC001589639466 949660999 /nfs/dbraw/zinc/66/09/99/949660999.db2.gz YCHBYXMXWJCJCP-ASPXRTSYSA-N -1 1 397.516 1.541 20 0 GDADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCCC1(C)C ZINC001573815837 949661532 /nfs/dbraw/zinc/66/15/32/949661532.db2.gz KLQQJLIHOIEUNX-OLZOCXBDSA-N -1 1 386.504 1.848 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CCC(C)(F)F)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575877470 949668586 /nfs/dbraw/zinc/66/85/86/949668586.db2.gz ZVJGVQLQIKDSPX-MNOVXSKESA-N -1 1 380.403 1.566 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CCC(C)(F)F)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575877470 949668604 /nfs/dbraw/zinc/66/86/04/949668604.db2.gz ZVJGVQLQIKDSPX-MNOVXSKESA-N -1 1 380.403 1.566 20 0 GDADMM C[C@H]1CCCN(C(=O)Cc2ccco2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576169303 949671042 /nfs/dbraw/zinc/67/10/42/949671042.db2.gz GHZHQUPZNICROJ-SWLSCSKDSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@H]1CCCN(C(=O)Cc2ccco2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576169303 949671062 /nfs/dbraw/zinc/67/10/62/949671062.db2.gz GHZHQUPZNICROJ-SWLSCSKDSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CCn2cccc2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575878151 949671390 /nfs/dbraw/zinc/67/13/90/949671390.db2.gz NODDPOGCJFTDFC-KGLIPLIRSA-N -1 1 381.444 1.022 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)CCn2cccc2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575878151 949671403 /nfs/dbraw/zinc/67/14/03/949671403.db2.gz NODDPOGCJFTDFC-KGLIPLIRSA-N -1 1 381.444 1.022 20 0 GDADMM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1)CC(C)(C)C ZINC001574477728 949674189 /nfs/dbraw/zinc/67/41/89/949674189.db2.gz UMNYAIQYPGRPCR-OLZOCXBDSA-N -1 1 390.492 1.350 20 0 GDADMM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1)CC(C)(C)C ZINC001574477728 949674208 /nfs/dbraw/zinc/67/42/08/949674208.db2.gz UMNYAIQYPGRPCR-OLZOCXBDSA-N -1 1 390.492 1.350 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H](CN(C)c2cncc(-c3nnn[n-]3)n2)C1)C1CC1 ZINC001574478772 949719602 /nfs/dbraw/zinc/71/96/02/949719602.db2.gz ALCKZVLMUJRNMN-KGLIPLIRSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H](CN(C)c2cncc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001574478772 949719623 /nfs/dbraw/zinc/71/96/23/949719623.db2.gz ALCKZVLMUJRNMN-KGLIPLIRSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574479009 949727295 /nfs/dbraw/zinc/72/72/95/949727295.db2.gz CBXUGXYHIVNVFZ-UWVGGRQHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001574960481 949728630 /nfs/dbraw/zinc/72/86/30/949728630.db2.gz XLZRJBKNMZSOQI-UJNFCWOMSA-N -1 1 381.893 1.964 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001574960481 949728648 /nfs/dbraw/zinc/72/86/48/949728648.db2.gz XLZRJBKNMZSOQI-UJNFCWOMSA-N -1 1 381.893 1.964 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1Cc2ccccc21 ZINC001573818672 949741451 /nfs/dbraw/zinc/74/14/51/949741451.db2.gz NWHRHLJOALBXHI-GOEBONIOSA-N -1 1 392.467 1.939 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1Cc2ccccc21 ZINC001573818672 949741466 /nfs/dbraw/zinc/74/14/66/949741466.db2.gz NWHRHLJOALBXHI-GOEBONIOSA-N -1 1 392.467 1.939 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1Cc2ccccc21 ZINC001573818674 949741665 /nfs/dbraw/zinc/74/16/65/949741665.db2.gz NWHRHLJOALBXHI-ZBFHGGJFSA-N -1 1 392.467 1.939 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1Cc2ccccc21 ZINC001573818674 949741676 /nfs/dbraw/zinc/74/16/76/949741676.db2.gz NWHRHLJOALBXHI-ZBFHGGJFSA-N -1 1 392.467 1.939 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C1(F)CCCC1 ZINC001573819004 949744052 /nfs/dbraw/zinc/74/40/52/949744052.db2.gz QPUFCZMGCBQYON-LBPRGKRZSA-N -1 1 376.440 1.882 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C1(F)CCCC1 ZINC001573819004 949744071 /nfs/dbraw/zinc/74/40/71/949744071.db2.gz QPUFCZMGCBQYON-LBPRGKRZSA-N -1 1 376.440 1.882 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@H]1CCOC1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574718050 949755960 /nfs/dbraw/zinc/75/59/60/949755960.db2.gz RMTIICJGRVPJAE-DTWKUNHWSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@H]1CCOC1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574718050 949755972 /nfs/dbraw/zinc/75/59/72/949755972.db2.gz RMTIICJGRVPJAE-DTWKUNHWSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001574480867 949755971 /nfs/dbraw/zinc/75/59/71/949755971.db2.gz KUKGEVGCFJEKHX-KGLIPLIRSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574480867 949755987 /nfs/dbraw/zinc/75/59/87/949755987.db2.gz KUKGEVGCFJEKHX-KGLIPLIRSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1)C1CC1 ZINC001574481060 949761168 /nfs/dbraw/zinc/76/11/68/949761168.db2.gz MFJRNHFOSROAHZ-KGLIPLIRSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1)C1CC1 ZINC001574481060 949761192 /nfs/dbraw/zinc/76/11/92/949761192.db2.gz MFJRNHFOSROAHZ-KGLIPLIRSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)Cc1ccsc1 ZINC001573820686 949768819 /nfs/dbraw/zinc/76/88/19/949768819.db2.gz YSNLSBOKLSEGJW-LBPRGKRZSA-N -1 1 386.485 1.326 20 0 GDADMM C[C@@H](CNC(=O)c1c(F)cc(F)cc1F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574964819 949786326 /nfs/dbraw/zinc/78/63/26/949786326.db2.gz ADZFYIAVUXWIEA-ZETCQYMHSA-N -1 1 378.318 1.304 20 0 GDADMM C[C@@H](CNC(=O)c1c(F)cc(F)cc1F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574964819 949786356 /nfs/dbraw/zinc/78/63/56/949786356.db2.gz ADZFYIAVUXWIEA-ZETCQYMHSA-N -1 1 378.318 1.304 20 0 GDADMM C[C@H](CN(C)C(=O)CCCc1cccs1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574720558 949794434 /nfs/dbraw/zinc/79/44/34/949794434.db2.gz CLYVQFKHAGBCRR-GFCCVEGCSA-N -1 1 386.485 2.000 20 0 GDADMM C[C@H](CN(C)C(=O)CCCc1cccs1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574720558 949794451 /nfs/dbraw/zinc/79/44/51/949794451.db2.gz CLYVQFKHAGBCRR-GFCCVEGCSA-N -1 1 386.485 2.000 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCO1 ZINC001574139530 949819299 /nfs/dbraw/zinc/81/92/99/949819299.db2.gz KCSOBFMXZGJSOO-ZIAGYGMSSA-N -1 1 388.476 1.050 20 0 GDADMM CC1(C(=O)N[C@H]2CCC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CC(F)(F)C1 ZINC001575562122 949822849 /nfs/dbraw/zinc/82/28/49/949822849.db2.gz DTDHDYWVCCDRIP-QWRGUYRKSA-N -1 1 392.414 1.931 20 0 GDADMM CC1(C(=O)N[C@H]2CCC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CC(F)(F)C1 ZINC001575562122 949822868 /nfs/dbraw/zinc/82/28/68/949822868.db2.gz DTDHDYWVCCDRIP-QWRGUYRKSA-N -1 1 392.414 1.931 20 0 GDADMM C[C@H](CN(C)C(=O)CCc1ccccc1F)Nc1nccnc1-c1nnn[n-]1 ZINC001574722172 949831679 /nfs/dbraw/zinc/83/16/79/949831679.db2.gz QPYMDSTUZWUENJ-GFCCVEGCSA-N -1 1 384.419 1.687 20 0 GDADMM C[C@H](CN(C)C(=O)CCc1ccccc1F)Nc1nccnc1-c1nn[n-]n1 ZINC001574722172 949831691 /nfs/dbraw/zinc/83/16/91/949831691.db2.gz QPYMDSTUZWUENJ-GFCCVEGCSA-N -1 1 384.419 1.687 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cc(Cl)c[nH]1 ZINC001573823798 949834127 /nfs/dbraw/zinc/83/41/27/949834127.db2.gz YSNFEVJSVVSAGN-NSHDSACASA-N -1 1 389.851 1.895 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cc(Cl)c[nH]1 ZINC001573823798 949834153 /nfs/dbraw/zinc/83/41/53/949834153.db2.gz YSNFEVJSVVSAGN-NSHDSACASA-N -1 1 389.851 1.895 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2cc(Cl)c[nH]2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575884290 949840228 /nfs/dbraw/zinc/84/02/28/949840228.db2.gz IQJWBUNAJVZTOQ-GXSJLCMTSA-N -1 1 387.835 1.426 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2cc(Cl)c[nH]2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575884290 949840250 /nfs/dbraw/zinc/84/02/50/949840250.db2.gz IQJWBUNAJVZTOQ-GXSJLCMTSA-N -1 1 387.835 1.426 20 0 GDADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H](C)NC(=O)COc1ccccc1F ZINC001575282676 949841943 /nfs/dbraw/zinc/84/19/43/949841943.db2.gz LPIFQYZHVHQCKY-MNOVXSKESA-N -1 1 386.391 1.180 20 0 GDADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)COc1ccccc1F ZINC001575282676 949841963 /nfs/dbraw/zinc/84/19/63/949841963.db2.gz LPIFQYZHVHQCKY-MNOVXSKESA-N -1 1 386.391 1.180 20 0 GDADMM CC(C)(C)C1CC(C(=O)N[C@H]2C[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001573824937 949859155 /nfs/dbraw/zinc/85/91/55/949859155.db2.gz IHCJXINNCIRJKB-WUPBRDTRSA-N -1 1 384.488 1.458 20 0 GDADMM CC1(C(=O)N[C@@H]2CCC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)CC(F)(F)C1 ZINC001575565218 949874585 /nfs/dbraw/zinc/87/45/85/949874585.db2.gz UTXSHTLOCCZFCJ-WDEREUQCSA-N -1 1 392.414 1.931 20 0 GDADMM CC1(C(=O)N[C@@H]2CCC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)CC(F)(F)C1 ZINC001575565218 949874600 /nfs/dbraw/zinc/87/46/00/949874600.db2.gz UTXSHTLOCCZFCJ-WDEREUQCSA-N -1 1 392.414 1.931 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](C)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001574484300 949878920 /nfs/dbraw/zinc/87/89/20/949878920.db2.gz YNOSMZWYAXVPMG-NFAWXSAZSA-N -1 1 384.488 1.554 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cscn2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576178238 949884032 /nfs/dbraw/zinc/88/40/32/949884032.db2.gz GUWRHZVSPLNDBD-ZWNOBZJWSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cscn2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576178238 949884052 /nfs/dbraw/zinc/88/40/52/949884052.db2.gz GUWRHZVSPLNDBD-ZWNOBZJWSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)c1ccco1 ZINC001574484650 949893103 /nfs/dbraw/zinc/89/31/03/949893103.db2.gz LKMKLHAFKSRPJV-OLZOCXBDSA-N -1 1 382.428 1.268 20 0 GDADMM C[C@@H](NC(=O)Cc1cc(C2CC2)no1)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575284373 949905023 /nfs/dbraw/zinc/90/50/23/949905023.db2.gz USILHGWYJHAUPG-NXEZZACHSA-N -1 1 383.416 1.070 20 0 GDADMM C[C@@H](NC(=O)Cc1cc(C2CC2)no1)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575284373 949905039 /nfs/dbraw/zinc/90/50/39/949905039.db2.gz USILHGWYJHAUPG-NXEZZACHSA-N -1 1 383.416 1.070 20 0 GDADMM C[C@@H](CC(=O)N1CCCC[C@@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001574484881 949910828 /nfs/dbraw/zinc/91/08/28/949910828.db2.gz QODVVLRXTWIDNJ-DZGCQCFKSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](CC(=O)N1CCCC[C@@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001574484881 949910846 /nfs/dbraw/zinc/91/08/46/949910846.db2.gz QODVVLRXTWIDNJ-DZGCQCFKSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001574485005 949916759 /nfs/dbraw/zinc/91/67/59/949916759.db2.gz UKMWQTSSMDYBQF-VHSXEESVSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001574485005 949916776 /nfs/dbraw/zinc/91/67/76/949916776.db2.gz UKMWQTSSMDYBQF-VHSXEESVSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(CCF)CC2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576179621 949922428 /nfs/dbraw/zinc/92/24/28/949922428.db2.gz BHJGYHLUDXILHH-CHWSQXEVSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(CCF)CC2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576179621 949922451 /nfs/dbraw/zinc/92/24/51/949922451.db2.gz BHJGYHLUDXILHH-CHWSQXEVSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@@H](NC(=O)COc1ccccc1F)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575285126 949930222 /nfs/dbraw/zinc/93/02/22/949930222.db2.gz ZAUCCWCKUNOFNP-GHMZBOCLSA-N -1 1 386.391 1.180 20 0 GDADMM C[C@@H](NC(=O)COc1ccccc1F)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575285126 949930245 /nfs/dbraw/zinc/93/02/45/949930245.db2.gz ZAUCCWCKUNOFNP-GHMZBOCLSA-N -1 1 386.391 1.180 20 0 GDADMM C[C@@H](CC(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1ccccc1 ZINC001574489363 949964015 /nfs/dbraw/zinc/96/40/15/949964015.db2.gz JEBZIVGGZJKRQQ-XJKSGUPXSA-N -1 1 392.467 1.579 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ccc(Cl)o2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575891148 949988720 /nfs/dbraw/zinc/98/87/20/949988720.db2.gz FPEYDNKNMJLJQJ-ZJUUUORDSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ccc(Cl)o2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575891148 949988736 /nfs/dbraw/zinc/98/87/36/949988736.db2.gz FPEYDNKNMJLJQJ-ZJUUUORDSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1cccc(F)c1F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574728626 949996792 /nfs/dbraw/zinc/99/67/92/949996792.db2.gz FQAWRAPPADJOJY-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1cccc(F)c1F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574728626 949996807 /nfs/dbraw/zinc/99/68/07/949996807.db2.gz FQAWRAPPADJOJY-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](NC(=O)Cc1cc[nH]n1)[C@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001575289599 949999885 /nfs/dbraw/zinc/99/98/85/949999885.db2.gz ADXWACPTYUXTSU-RQJHMYQMSA-N -1 1 381.853 1.248 20 0 GDADMM C[C@@H](NC(=O)Cc1cc[nH]n1)[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575289599 949999901 /nfs/dbraw/zinc/99/99/01/949999901.db2.gz ADXWACPTYUXTSU-RQJHMYQMSA-N -1 1 381.853 1.248 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(CF)CCC2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576181488 950006455 /nfs/dbraw/zinc/00/64/55/950006455.db2.gz INHFEQUJTLVCMT-OLZOCXBDSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@@H]1CCN(C(=O)C2(CF)CCC2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576181488 950006480 /nfs/dbraw/zinc/00/64/80/950006480.db2.gz INHFEQUJTLVCMT-OLZOCXBDSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001574491204 950029430 /nfs/dbraw/zinc/02/94/30/950029430.db2.gz BATFBDWIUIWOCI-GOEBONIOSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574491204 950029454 /nfs/dbraw/zinc/02/94/54/950029454.db2.gz BATFBDWIUIWOCI-GOEBONIOSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H]1CCN(C(=O)C2(CCF)CC2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576182034 950031975 /nfs/dbraw/zinc/03/19/75/950031975.db2.gz KPWZGIQJYKUWOG-STQMWFEESA-N -1 1 388.451 1.693 20 0 GDADMM C[C@H]1CCN(C(=O)C2(CCF)CC2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576182034 950031998 /nfs/dbraw/zinc/03/19/98/950031998.db2.gz KPWZGIQJYKUWOG-STQMWFEESA-N -1 1 388.451 1.693 20 0 GDADMM C[C@@H](CC(=O)N[C@@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001574491949 950051245 /nfs/dbraw/zinc/05/12/45/950051245.db2.gz HGUGLTCTRJBLOW-XOBRGWDASA-N -1 1 392.467 1.936 20 0 GDADMM C[C@@H](CC(=O)N[C@@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574491949 950051268 /nfs/dbraw/zinc/05/12/68/950051268.db2.gz HGUGLTCTRJBLOW-XOBRGWDASA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ccccc1Cl)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574731580 950058358 /nfs/dbraw/zinc/05/83/58/950058358.db2.gz XPAIPOASUVSYCF-LLVKDONJSA-N -1 1 386.847 1.812 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ccccc1Cl)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574731580 950058381 /nfs/dbraw/zinc/05/83/81/950058381.db2.gz XPAIPOASUVSYCF-LLVKDONJSA-N -1 1 386.847 1.812 20 0 GDADMM C[C@H](CC(=O)NC[C@H](CO)Nc1nc(-c2nn[n-]n2)c(Cl)s1)C1CC1 ZINC001574492291 950073940 /nfs/dbraw/zinc/07/39/40/950073940.db2.gz ABEHDELDMNTXPY-VXNVDRBHSA-N -1 1 385.881 1.302 20 0 GDADMM CC1(C(=O)NC[C@@H](O)CNc2nc(Cl)c(-c3nnn[n-]3)s2)CCCC1 ZINC001575576902 950076823 /nfs/dbraw/zinc/07/68/23/950076823.db2.gz SXXWRQWSVPNJIU-MRVPVSSYSA-N -1 1 385.881 1.446 20 0 GDADMM CC1(C(=O)NC[C@@H](O)CNc2nc(Cl)c(-c3nn[n-]n3)s2)CCCC1 ZINC001575576902 950076844 /nfs/dbraw/zinc/07/68/44/950076844.db2.gz SXXWRQWSVPNJIU-MRVPVSSYSA-N -1 1 385.881 1.446 20 0 GDADMM C[C@H]1CCN(C(=O)CCC(F)F)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576183613 950098796 /nfs/dbraw/zinc/09/87/96/950098796.db2.gz QPPZRVSSCALZKG-WDEREUQCSA-N -1 1 380.403 1.020 20 0 GDADMM CC(C)[C@H](CNC(=O)C[C@@H](C)c1ccco1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574492761 950103422 /nfs/dbraw/zinc/10/34/22/950103422.db2.gz COQXTDBMOJRPDQ-OLZOCXBDSA-N -1 1 384.444 1.418 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C1CCCCC1 ZINC001574492964 950106627 /nfs/dbraw/zinc/10/66/27/950106627.db2.gz PUJCSEZTGIJDEX-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@]1(C(=O)NCC2(Nc3nccnc3-c3nnn[n-]3)CCCC2)CCCOC1 ZINC001575582598 950121529 /nfs/dbraw/zinc/12/15/29/950121529.db2.gz LDHSIGAMQVTTHJ-KRWDZBQOSA-N -1 1 386.460 1.314 20 0 GDADMM C[C@]1(C(=O)NCC2(Nc3nccnc3-c3nn[n-]n3)CCCC2)CCCOC1 ZINC001575582598 950121545 /nfs/dbraw/zinc/12/15/45/950121545.db2.gz LDHSIGAMQVTTHJ-KRWDZBQOSA-N -1 1 386.460 1.314 20 0 GDADMM CC(C)(C)CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1 ZINC001573838889 950122423 /nfs/dbraw/zinc/12/24/23/950122423.db2.gz KPMZDUSDQWZVGD-STQMWFEESA-N -1 1 384.488 1.909 20 0 GDADMM CC(C)(C)CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1 ZINC001573838889 950122440 /nfs/dbraw/zinc/12/24/40/950122440.db2.gz KPMZDUSDQWZVGD-STQMWFEESA-N -1 1 384.488 1.909 20 0 GDADMM C[C@@H](CC(=O)NC1(CNc2ccc(-c3nnn[n-]3)nn2)CCOCC1)C1CC1 ZINC001574493316 950126329 /nfs/dbraw/zinc/12/63/29/950126329.db2.gz SERHNPZEDYYLGE-LBPRGKRZSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](CC(=O)NC1(CNc2ccc(-c3nn[n-]n3)nn2)CCOCC1)C1CC1 ZINC001574493316 950126336 /nfs/dbraw/zinc/12/63/36/950126336.db2.gz SERHNPZEDYYLGE-LBPRGKRZSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@H]1CCN(C(=O)C2(F)CCCC2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576184645 950136416 /nfs/dbraw/zinc/13/64/16/950136416.db2.gz WPDIRLZWAJUUPY-STQMWFEESA-N -1 1 388.451 1.836 20 0 GDADMM C[C@H]1CCN(C(=O)C2(F)CCCC2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576184645 950136431 /nfs/dbraw/zinc/13/64/31/950136431.db2.gz WPDIRLZWAJUUPY-STQMWFEESA-N -1 1 388.451 1.836 20 0 GDADMM CC1(C(=O)NC[C@@H]2CCCCN2c2nccnc2-c2nnn[n-]2)CC(F)(F)C1 ZINC001575583210 950141345 /nfs/dbraw/zinc/14/13/45/950141345.db2.gz KNVGMNQFRXVTBK-NSHDSACASA-N -1 1 392.414 1.567 20 0 GDADMM CC1(C(=O)NC[C@@H]2CCCCN2c2nccnc2-c2nn[n-]n2)CC(F)(F)C1 ZINC001575583210 950141374 /nfs/dbraw/zinc/14/13/74/950141374.db2.gz KNVGMNQFRXVTBK-NSHDSACASA-N -1 1 392.414 1.567 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cccnc2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576184757 950141867 /nfs/dbraw/zinc/14/18/67/950141867.db2.gz XNCWUVNRHYCRLS-SWLSCSKDSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cccnc2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576184757 950141879 /nfs/dbraw/zinc/14/18/79/950141879.db2.gz XNCWUVNRHYCRLS-SWLSCSKDSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1)c1ccco1 ZINC001574493934 950147926 /nfs/dbraw/zinc/14/79/26/950147926.db2.gz IYDJVPUKEANGDQ-DGCLKSJQSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1)c1ccco1 ZINC001574493934 950147943 /nfs/dbraw/zinc/14/79/43/950147943.db2.gz IYDJVPUKEANGDQ-DGCLKSJQSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cc(F)c[nH]2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576190682 950168761 /nfs/dbraw/zinc/16/87/61/950168761.db2.gz DAIYMDCQQYKVEI-MNOVXSKESA-N -1 1 385.407 1.334 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cc(F)c[nH]2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576190682 950168780 /nfs/dbraw/zinc/16/87/80/950168780.db2.gz DAIYMDCQQYKVEI-MNOVXSKESA-N -1 1 385.407 1.334 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H](C)C(F)(F)F ZINC001574154620 950174853 /nfs/dbraw/zinc/17/48/53/950174853.db2.gz FKUCGUGWWBBSAT-NXEZZACHSA-N -1 1 386.382 1.798 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H](C)C(F)(F)F ZINC001574154620 950174863 /nfs/dbraw/zinc/17/48/63/950174863.db2.gz FKUCGUGWWBBSAT-NXEZZACHSA-N -1 1 386.382 1.798 20 0 GDADMM CC1(C(=O)NC[C@H]2CCCCN2c2ccnc(-c3nn[n-]n3)n2)CC(F)(F)C1 ZINC001575584753 950178679 /nfs/dbraw/zinc/17/86/79/950178679.db2.gz SAMXTMKZSCVBKB-LLVKDONJSA-N -1 1 392.414 1.567 20 0 GDADMM C[C@]1(C(=O)NC[C@H]2CCCCN2c2nccnc2-c2nnn[n-]2)CC=CCC1 ZINC001575584773 950179011 /nfs/dbraw/zinc/17/90/11/950179011.db2.gz SDKBCJKAARJGLA-KUHUBIRLSA-N -1 1 382.472 1.878 20 0 GDADMM C[C@]1(C(=O)NC[C@H]2CCCCN2c2nccnc2-c2nn[n-]n2)CC=CCC1 ZINC001575584773 950179023 /nfs/dbraw/zinc/17/90/23/950179023.db2.gz SDKBCJKAARJGLA-KUHUBIRLSA-N -1 1 382.472 1.878 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1ccco1 ZINC001574494787 950185524 /nfs/dbraw/zinc/18/55/24/950185524.db2.gz OKLSINBXMWCWPY-WCQYABFASA-N -1 1 382.428 1.172 20 0 GDADMM CC1(C(=O)NCC2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CC(F)(F)C1 ZINC001575585725 950201133 /nfs/dbraw/zinc/20/11/33/950201133.db2.gz CDHDUBSTRZHYHC-UHFFFAOYSA-N -1 1 392.414 1.425 20 0 GDADMM CC1(C(=O)NCC2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CC(F)(F)C1 ZINC001575585725 950201153 /nfs/dbraw/zinc/20/11/53/950201153.db2.gz CDHDUBSTRZHYHC-UHFFFAOYSA-N -1 1 392.414 1.425 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CCc1ccoc1 ZINC001574155651 950203631 /nfs/dbraw/zinc/20/36/31/950203631.db2.gz PLQWZNWJJRUKJL-CQSZACIVSA-N -1 1 384.444 1.825 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CCc1ccoc1 ZINC001574155651 950203645 /nfs/dbraw/zinc/20/36/45/950203645.db2.gz PLQWZNWJJRUKJL-CQSZACIVSA-N -1 1 384.444 1.825 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573844598 950204126 /nfs/dbraw/zinc/20/41/26/950204126.db2.gz COYSSAKPGOBPFG-MELADBBJSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573844598 950204145 /nfs/dbraw/zinc/20/41/45/950204145.db2.gz COYSSAKPGOBPFG-MELADBBJSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1(F)CCCCC1 ZINC001574155766 950209686 /nfs/dbraw/zinc/20/96/86/950209686.db2.gz RIXXMKKAZAVFHS-ZDUSSCGKSA-N -1 1 390.467 1.694 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1)c1ccco1 ZINC001574497002 950221090 /nfs/dbraw/zinc/22/10/90/950221090.db2.gz YCIQSODHMYPQTD-AAEUAGOBSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1)c1ccco1 ZINC001574497002 950221106 /nfs/dbraw/zinc/22/11/06/950221106.db2.gz YCIQSODHMYPQTD-AAEUAGOBSA-N -1 1 382.428 1.750 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573845727 950237884 /nfs/dbraw/zinc/23/78/84/950237884.db2.gz JVAUGGNQHZDVGZ-GXTWGEPZSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573845727 950237904 /nfs/dbraw/zinc/23/79/04/950237904.db2.gz JVAUGGNQHZDVGZ-GXTWGEPZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccns2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576192570 950251785 /nfs/dbraw/zinc/25/17/85/950251785.db2.gz NRYBITCTGVHTNM-GHMZBOCLSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccns2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576192570 950251803 /nfs/dbraw/zinc/25/18/03/950251803.db2.gz NRYBITCTGVHTNM-GHMZBOCLSA-N -1 1 385.457 1.324 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H]1CCC1(F)F ZINC001574157851 950256551 /nfs/dbraw/zinc/25/65/51/950256551.db2.gz JVSUYLNYCNSSOB-GHMZBOCLSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H]1CCC1(F)F ZINC001574157851 950256568 /nfs/dbraw/zinc/25/65/68/950256568.db2.gz JVSUYLNYCNSSOB-GHMZBOCLSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@H](CC(=O)NCC1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001574498196 950263320 /nfs/dbraw/zinc/26/33/20/950263320.db2.gz LDLQYIFULWQCSW-XNWIYYODSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](CC(=O)NCC1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001574498196 950263341 /nfs/dbraw/zinc/26/33/41/950263341.db2.gz LDLQYIFULWQCSW-XNWIYYODSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](CC(=O)NCC1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001574498195 950263650 /nfs/dbraw/zinc/26/36/50/950263650.db2.gz LDLQYIFULWQCSW-IDKOKCKLSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](CC(=O)NCC1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001574498195 950263671 /nfs/dbraw/zinc/26/36/71/950263671.db2.gz LDLQYIFULWQCSW-IDKOKCKLSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCC1)n1cccc1 ZINC001574499398 950296619 /nfs/dbraw/zinc/29/66/19/950296619.db2.gz UOPCQKPHXWOWEG-CYBMUJFWSA-N -1 1 381.444 1.560 20 0 GDADMM C[C@H](CC(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCC1)n1cccc1 ZINC001574499398 950296638 /nfs/dbraw/zinc/29/66/38/950296638.db2.gz UOPCQKPHXWOWEG-CYBMUJFWSA-N -1 1 381.444 1.560 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccccc2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576193744 950309807 /nfs/dbraw/zinc/30/98/07/950309807.db2.gz WRLSXNPQMWNDHG-UKRRQHHQSA-N -1 1 378.440 1.867 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccccc2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576193744 950309831 /nfs/dbraw/zinc/30/98/31/950309831.db2.gz WRLSXNPQMWNDHG-UKRRQHHQSA-N -1 1 378.440 1.867 20 0 GDADMM C[C@H](CC(=O)NCC1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001574500389 950314509 /nfs/dbraw/zinc/31/45/09/950314509.db2.gz ZZDDYKZIDQZASI-IYXRBSQSSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](CC(=O)NCC1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001574500389 950314533 /nfs/dbraw/zinc/31/45/33/950314533.db2.gz ZZDDYKZIDQZASI-IYXRBSQSSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001574501228 950326864 /nfs/dbraw/zinc/32/68/64/950326864.db2.gz BOLMQPICVUVNNX-ZBFHGGJFSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001574501228 950326887 /nfs/dbraw/zinc/32/68/87/950326887.db2.gz BOLMQPICVUVNNX-ZBFHGGJFSA-N -1 1 392.467 1.936 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C=Cc1ccco1 ZINC001574160089 950328706 /nfs/dbraw/zinc/32/87/06/950328706.db2.gz KTYSCICDBRYGPN-URWSZGRFSA-N -1 1 382.428 1.906 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C=Cc1ccco1 ZINC001574160089 950328727 /nfs/dbraw/zinc/32/87/27/950328727.db2.gz KTYSCICDBRYGPN-URWSZGRFSA-N -1 1 382.428 1.906 20 0 GDADMM CC1(C(=O)NC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CCC2(F)F)CCC1 ZINC001575595282 950352727 /nfs/dbraw/zinc/35/27/27/950352727.db2.gz NXZJNECZHCXGHQ-NSHDSACASA-N -1 1 392.414 1.425 20 0 GDADMM CC1(C(=O)NC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CCC2(F)F)CCC1 ZINC001575595282 950352747 /nfs/dbraw/zinc/35/27/47/950352747.db2.gz NXZJNECZHCXGHQ-NSHDSACASA-N -1 1 392.414 1.425 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cc1cccs1 ZINC001574161826 950371135 /nfs/dbraw/zinc/37/11/35/950371135.db2.gz YBZATKORCKJQRJ-GFCCVEGCSA-N -1 1 386.485 1.904 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cc1cccs1 ZINC001574161826 950371151 /nfs/dbraw/zinc/37/11/51/950371151.db2.gz YBZATKORCKJQRJ-GFCCVEGCSA-N -1 1 386.485 1.904 20 0 GDADMM CC1(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CC(F)(F)C1 ZINC001575597664 950415345 /nfs/dbraw/zinc/41/53/45/950415345.db2.gz UXMHNHDSWTVLSO-AOOOYVTPSA-N -1 1 378.387 1.399 20 0 GDADMM CC1(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CC(F)(F)C1 ZINC001575597664 950415358 /nfs/dbraw/zinc/41/53/58/950415358.db2.gz UXMHNHDSWTVLSO-AOOOYVTPSA-N -1 1 378.387 1.399 20 0 GDADMM CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2coc(-c3nnn[n-]3)c2)CCCO1 ZINC001573860334 950420793 /nfs/dbraw/zinc/42/07/93/950420793.db2.gz GJYISRZABFXCAH-GFCCVEGCSA-N -1 1 392.416 1.216 20 0 GDADMM CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)c2coc(-c3nn[n-]n3)c2)CCCO1 ZINC001573860334 950420812 /nfs/dbraw/zinc/42/08/12/950420812.db2.gz GJYISRZABFXCAH-GFCCVEGCSA-N -1 1 392.416 1.216 20 0 GDADMM CC1(C(=O)NCc2ccc(CNc3cncc(-c4nnn[n-]4)n3)cc2F)CC1 ZINC001575599191 950426474 /nfs/dbraw/zinc/42/64/74/950426474.db2.gz GQNKNOFQSBQDHV-UHFFFAOYSA-N -1 1 382.403 1.824 20 0 GDADMM CC1(C(=O)NCc2ccc(CNc3cncc(-c4nn[n-]n4)n3)cc2F)CC1 ZINC001575599191 950426495 /nfs/dbraw/zinc/42/64/95/950426495.db2.gz GQNKNOFQSBQDHV-UHFFFAOYSA-N -1 1 382.403 1.824 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CC[C@H]1CCOC1 ZINC001574163541 950428842 /nfs/dbraw/zinc/42/88/42/950428842.db2.gz VRBHZHISISZXKV-UONOGXRCSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CC[C@H]1CCOC1 ZINC001574163541 950428854 /nfs/dbraw/zinc/42/88/54/950428854.db2.gz VRBHZHISISZXKV-UONOGXRCSA-N -1 1 388.476 1.416 20 0 GDADMM CC1(C(=O)NCc2ccc(CNc3ccc(-c4nnn[n-]4)nn3)cc2F)CC1 ZINC001575599508 950432570 /nfs/dbraw/zinc/43/25/70/950432570.db2.gz LABLWKBHLNWOJZ-UHFFFAOYSA-N -1 1 382.403 1.824 20 0 GDADMM CC1(C(=O)NCc2ccc(CNc3ccc(-c4nn[n-]n4)nn3)cc2F)CC1 ZINC001575599508 950432585 /nfs/dbraw/zinc/43/25/85/950432585.db2.gz LABLWKBHLNWOJZ-UHFFFAOYSA-N -1 1 382.403 1.824 20 0 GDADMM CC1(C(=O)NCc2cccc3c2CCN(c2ccc(-c4nnn[n-]4)nn2)C3)CC1 ZINC001575600116 950436376 /nfs/dbraw/zinc/43/63/76/950436376.db2.gz RQQPSQVXDWANFJ-UHFFFAOYSA-N -1 1 390.451 1.636 20 0 GDADMM CC1(C(=O)NCc2cccc3c2CCN(c2ccc(-c4nn[n-]n4)nn2)C3)CC1 ZINC001575600116 950436393 /nfs/dbraw/zinc/43/63/93/950436393.db2.gz RQQPSQVXDWANFJ-UHFFFAOYSA-N -1 1 390.451 1.636 20 0 GDADMM CCN(CC)CCN(C(=O)/C=C\c1ccc(C(=O)[O-])o1)[C@@H]1CCS(=O)(=O)C1 ZINC001589724907 950448999 /nfs/dbraw/zinc/44/89/99/950448999.db2.gz PHUMIGZTTDBHRP-IQCBXXCUSA-N -1 1 398.481 1.349 20 0 GDADMM CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2n[nH]cc2-c2nnn[n-]2)nc1 ZINC001573861797 950455311 /nfs/dbraw/zinc/45/53/11/950455311.db2.gz HCTQXNSBVFISHI-UHFFFAOYSA-N -1 1 385.388 1.513 20 0 GDADMM CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2n[nH]cc2-c2nn[n-]n2)nc1 ZINC001573861797 950455330 /nfs/dbraw/zinc/45/53/30/950455330.db2.gz HCTQXNSBVFISHI-UHFFFAOYSA-N -1 1 385.388 1.513 20 0 GDADMM CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nnn[n-]3)cn2)CC(F)(F)C1 ZINC001575605458 950464561 /nfs/dbraw/zinc/46/45/61/950464561.db2.gz OPTNDHDTGPTPFS-FOGDFJRCSA-N -1 1 390.398 1.318 20 0 GDADMM CC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nn[n-]n3)cn2)CC(F)(F)C1 ZINC001575605458 950464581 /nfs/dbraw/zinc/46/45/81/950464581.db2.gz OPTNDHDTGPTPFS-FOGDFJRCSA-N -1 1 390.398 1.318 20 0 GDADMM C[C@H](CC(=O)N[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1)c1ccc(F)cc1 ZINC001574507923 950464619 /nfs/dbraw/zinc/46/46/19/950464619.db2.gz KZXWZMOTSZVOEH-NEPJUHHUSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H](CC(=O)N[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC001574507923 950464638 /nfs/dbraw/zinc/46/46/38/950464638.db2.gz KZXWZMOTSZVOEH-NEPJUHHUSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@H](C)c1ccc(F)cc1 ZINC001574508114 950467307 /nfs/dbraw/zinc/46/73/07/950467307.db2.gz MPLTXOSMFCZCBE-RYUDHWBXSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@H](C)c1ccc(F)cc1 ZINC001574508114 950467316 /nfs/dbraw/zinc/46/73/16/950467316.db2.gz MPLTXOSMFCZCBE-RYUDHWBXSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@@H](CC(=O)NCCN(C)c1ccnc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001574508124 950469729 /nfs/dbraw/zinc/46/97/29/950469729.db2.gz IVLIUNMNRVWXLZ-LBPRGKRZSA-N -1 1 384.419 1.542 20 0 GDADMM CC(C)(C)OC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001573863297 950472029 /nfs/dbraw/zinc/47/20/29/950472029.db2.gz APAYZPVLIFAJJQ-SNVBAGLBSA-N -1 1 383.430 1.345 20 0 GDADMM C[C@]1(C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CCc2ccccc21 ZINC001575607022 950499788 /nfs/dbraw/zinc/49/97/88/950499788.db2.gz FKJCJFXJIAWLOM-MNVSYLFESA-N -1 1 390.451 1.620 20 0 GDADMM C[C@]1(C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CCc2ccccc21 ZINC001575607022 950499810 /nfs/dbraw/zinc/49/98/10/950499810.db2.gz FKJCJFXJIAWLOM-MNVSYLFESA-N -1 1 390.451 1.620 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc(C2CC2)cn1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574752956 950501836 /nfs/dbraw/zinc/50/18/36/950501836.db2.gz GYEGUNHDNFCLEC-NSHDSACASA-N -1 1 379.428 1.502 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc(C2CC2)cn1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574752956 950501857 /nfs/dbraw/zinc/50/18/57/950501857.db2.gz GYEGUNHDNFCLEC-NSHDSACASA-N -1 1 379.428 1.502 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc2c(c1)CCO2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574752960 950507908 /nfs/dbraw/zinc/50/79/08/950507908.db2.gz HBMDYABOKMPFRT-NSHDSACASA-N -1 1 380.412 1.164 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc2c(c1)CCO2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574752960 950507924 /nfs/dbraw/zinc/50/79/24/950507924.db2.gz HBMDYABOKMPFRT-NSHDSACASA-N -1 1 380.412 1.164 20 0 GDADMM CC(C)(C)OCC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001573866944 950518108 /nfs/dbraw/zinc/51/81/08/950518108.db2.gz OEPDQXABWCWNDN-KGLIPLIRSA-N -1 1 386.460 1.042 20 0 GDADMM CC(C)(C)OCC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001573866944 950518123 /nfs/dbraw/zinc/51/81/23/950518123.db2.gz OEPDQXABWCWNDN-KGLIPLIRSA-N -1 1 386.460 1.042 20 0 GDADMM C[C@]1(C(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCc2ccccc21 ZINC001575609561 950525547 /nfs/dbraw/zinc/52/55/47/950525547.db2.gz YAOUEAPIBJTNLS-MNVSYLFESA-N -1 1 390.451 1.042 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C)c1ccco1 ZINC001574509778 950528457 /nfs/dbraw/zinc/52/84/57/950528457.db2.gz XXFMWIZGUABOQI-BFHYXJOUSA-N -1 1 396.455 1.632 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C)c1ccco1 ZINC001574509778 950528471 /nfs/dbraw/zinc/52/84/71/950528471.db2.gz XXFMWIZGUABOQI-BFHYXJOUSA-N -1 1 396.455 1.632 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccco1 ZINC001574509794 950530437 /nfs/dbraw/zinc/53/04/37/950530437.db2.gz XZFCNSBIQINNGY-AVGNSLFASA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574509794 950530452 /nfs/dbraw/zinc/53/04/52/950530452.db2.gz XZFCNSBIQINNGY-AVGNSLFASA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](CC(=O)NCCN(c1nccnc1-c1nnn[n-]1)C1CC1)c1ccco1 ZINC001574510050 950540655 /nfs/dbraw/zinc/54/06/55/950540655.db2.gz YWKBZPQROZLSGW-LBPRGKRZSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](CC(=O)NCCN(c1nccnc1-c1nn[n-]n1)C1CC1)c1ccco1 ZINC001574510050 950540677 /nfs/dbraw/zinc/54/06/77/950540677.db2.gz YWKBZPQROZLSGW-LBPRGKRZSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@]1(C(=O)N[C@H]2C[C@H](Nc3nccnc3-c3nnn[n-]3)C2)CCc2ccccc21 ZINC001575614734 950548763 /nfs/dbraw/zinc/54/87/63/950548763.db2.gz OGBSOWMTQGLHDL-ARGWCVDVSA-N -1 1 390.451 1.620 20 0 GDADMM C[C@@]1(C(=O)N[C@H]2C[C@H](Nc3nccnc3-c3nn[n-]n3)C2)CCc2ccccc21 ZINC001575614734 950548783 /nfs/dbraw/zinc/54/87/83/950548783.db2.gz OGBSOWMTQGLHDL-ARGWCVDVSA-N -1 1 390.451 1.620 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@H]1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573869267 950563100 /nfs/dbraw/zinc/56/31/00/950563100.db2.gz NLNIZYLGYOXNHS-QWHCGFSZSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@H]1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573869267 950563124 /nfs/dbraw/zinc/56/31/24/950563124.db2.gz NLNIZYLGYOXNHS-QWHCGFSZSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CCCC1 ZINC001573869490 950564345 /nfs/dbraw/zinc/56/43/45/950564345.db2.gz PSEYBMSQYXXKHQ-CQSZACIVSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CCCC1 ZINC001573869490 950564361 /nfs/dbraw/zinc/56/43/61/950564361.db2.gz PSEYBMSQYXXKHQ-CQSZACIVSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)ccc1F)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574998883 950565262 /nfs/dbraw/zinc/56/52/62/950565262.db2.gz BXUTUQFZCKRWMF-VIFPVBQESA-N -1 1 390.810 1.349 20 0 GDADMM C[C@@H](CNC(=O)c1cc(C(F)F)ccc1F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574999290 950578105 /nfs/dbraw/zinc/57/81/05/950578105.db2.gz ITJDTOYYYQHREV-QMMMGPOBSA-N -1 1 392.345 1.964 20 0 GDADMM C[C@@H](CNC(=O)c1cc(C(F)F)ccc1F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574999290 950578126 /nfs/dbraw/zinc/57/81/26/950578126.db2.gz ITJDTOYYYQHREV-QMMMGPOBSA-N -1 1 392.345 1.964 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575616391 950584160 /nfs/dbraw/zinc/58/41/60/950584160.db2.gz OVYVLMLZJAZMDV-GFCCVEGCSA-N -1 1 384.488 1.672 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575616391 950584181 /nfs/dbraw/zinc/58/41/81/950584181.db2.gz OVYVLMLZJAZMDV-GFCCVEGCSA-N -1 1 384.488 1.672 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575616570 950588370 /nfs/dbraw/zinc/58/83/70/950588370.db2.gz RWFARSZJJDOCHP-GFCCVEGCSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575616570 950588397 /nfs/dbraw/zinc/58/83/97/950588397.db2.gz RWFARSZJJDOCHP-GFCCVEGCSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@H](C)c1ccc(F)cc1 ZINC001574513726 950613043 /nfs/dbraw/zinc/61/30/43/950613043.db2.gz WYRFUJFZIMHOLT-NWDGAFQWSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@H](C)c1ccc(F)cc1 ZINC001574513726 950613060 /nfs/dbraw/zinc/61/30/60/950613060.db2.gz WYRFUJFZIMHOLT-NWDGAFQWSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccccn1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574758738 950615740 /nfs/dbraw/zinc/61/57/40/950615740.db2.gz GALMQRTYNNHQKJ-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(CF)cc1 ZINC001575919866 950624469 /nfs/dbraw/zinc/62/44/69/950624469.db2.gz KWJFNCYIODWVLL-RISCZKNCSA-N -1 1 382.403 1.263 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)cc(Cl)c1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575001276 950626533 /nfs/dbraw/zinc/62/65/33/950626533.db2.gz JSPZQKXASLPJHN-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)cc(Cl)c1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575001276 950626545 /nfs/dbraw/zinc/62/65/45/950626545.db2.gz JSPZQKXASLPJHN-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccsc1Cl)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574759261 950635259 /nfs/dbraw/zinc/63/52/59/950635259.db2.gz AJUAVZMLVAXZJX-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccsc1Cl)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574759261 950635270 /nfs/dbraw/zinc/63/52/70/950635270.db2.gz AJUAVZMLVAXZJX-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccncn1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574759408 950638365 /nfs/dbraw/zinc/63/83/65/950638365.db2.gz CNXMKXYBQUGBGY-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccncn1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574759408 950638374 /nfs/dbraw/zinc/63/83/74/950638374.db2.gz CNXMKXYBQUGBGY-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001573873374 950643599 /nfs/dbraw/zinc/64/35/99/950643599.db2.gz LVVRJZDVQXQQKH-MRVPVSSYSA-N -1 1 385.881 1.487 20 0 GDADMM C[C@H](CN(C)C(=O)c1cccc2cccnc21)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574759586 950643748 /nfs/dbraw/zinc/64/37/48/950643748.db2.gz PCIAFYMANWISFT-GFCCVEGCSA-N -1 1 389.423 1.778 20 0 GDADMM C[C@H](CN(C)C(=O)c1cccc2cccnc21)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574759586 950643761 /nfs/dbraw/zinc/64/37/61/950643761.db2.gz PCIAFYMANWISFT-GFCCVEGCSA-N -1 1 389.423 1.778 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1C[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001573873686 950652689 /nfs/dbraw/zinc/65/26/89/950652689.db2.gz YFJAXZHRCQTVOA-OCAPTIKFSA-N -1 1 385.881 1.851 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1C[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001573873686 950652699 /nfs/dbraw/zinc/65/26/99/950652699.db2.gz YFJAXZHRCQTVOA-OCAPTIKFSA-N -1 1 385.881 1.851 20 0 GDADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCCc1ccccc1 ZINC001575923258 950656004 /nfs/dbraw/zinc/65/60/04/950656004.db2.gz PZHVZPKBTJWYNN-HOCLYGCPSA-N -1 1 392.467 1.503 20 0 GDADMM CC(C)c1ncc(C(=O)N(C)C[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)s1 ZINC001574760235 950658360 /nfs/dbraw/zinc/65/83/60/950658360.db2.gz HWCXKGIGYNVYKI-JTQLQIEISA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)c1ncc(C(=O)N(C)C[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)s1 ZINC001574760235 950658382 /nfs/dbraw/zinc/65/83/82/950658382.db2.gz HWCXKGIGYNVYKI-JTQLQIEISA-N -1 1 387.473 1.809 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1scnc1Cl ZINC001575924135 950669489 /nfs/dbraw/zinc/66/94/89/950669489.db2.gz DRMJQNBOROZMKS-SFYZADRCSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1scnc1Cl ZINC001575924135 950669497 /nfs/dbraw/zinc/66/94/97/950669497.db2.gz DRMJQNBOROZMKS-SFYZADRCSA-N -1 1 391.848 1.482 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NCC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573878224 950703085 /nfs/dbraw/zinc/70/30/85/950703085.db2.gz LFYHJAJTVJJUOQ-MGPQQGTHSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NCC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573878224 950703106 /nfs/dbraw/zinc/70/31/06/950703106.db2.gz LFYHJAJTVJJUOQ-MGPQQGTHSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@H](CNC(=O)c1cc2n(c1)CCCC2)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575005875 950704984 /nfs/dbraw/zinc/70/49/84/950704984.db2.gz PBQBUHXZZHZJIC-LBPRGKRZSA-N -1 1 381.444 1.273 20 0 GDADMM C[C@H](CNC(=O)c1cc2n(c1)CCCC2)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575005875 950704992 /nfs/dbraw/zinc/70/49/92/950704992.db2.gz PBQBUHXZZHZJIC-LBPRGKRZSA-N -1 1 381.444 1.273 20 0 GDADMM C[C@@H]1CN(C(=O)C(C2CC2)C2CC2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576216214 950725706 /nfs/dbraw/zinc/72/57/06/950725706.db2.gz DCGKFLPGLKQMRQ-BXUZGUMPSA-N -1 1 382.472 1.021 20 0 GDADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cccc(F)c1F ZINC001575927029 950731481 /nfs/dbraw/zinc/73/14/81/950731481.db2.gz ZSZDBURNZWOCKP-CABZTGNLSA-N -1 1 386.366 1.072 20 0 GDADMM C[C@H](CN(C)C(=O)c1cncnc1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574763845 950733908 /nfs/dbraw/zinc/73/39/08/950733908.db2.gz MABPCPXCKCJZDU-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cnn2ccccc12 ZINC001575927212 950739167 /nfs/dbraw/zinc/73/91/67/950739167.db2.gz OIBHSPZKIVZJQQ-AAEUAGOBSA-N -1 1 390.411 1.020 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cnn2ccccc12 ZINC001575927212 950739183 /nfs/dbraw/zinc/73/91/83/950739183.db2.gz OIBHSPZKIVZJQQ-AAEUAGOBSA-N -1 1 390.411 1.020 20 0 GDADMM CC(C)CCC(=O)N[C@H]1COC2(CN(Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001574181455 950743091 /nfs/dbraw/zinc/74/30/91/950743091.db2.gz NXLUDEHANHIYHW-CYBMUJFWSA-N -1 1 390.513 1.824 20 0 GDADMM CC(C)c1ncncc1C(=O)N(C)C[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574764437 950751738 /nfs/dbraw/zinc/75/17/38/950751738.db2.gz STHGZGCSHWGXBC-LLVKDONJSA-N -1 1 382.432 1.143 20 0 GDADMM CC(C)c1ncncc1C(=O)N(C)C[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574764437 950751752 /nfs/dbraw/zinc/75/17/52/950751752.db2.gz STHGZGCSHWGXBC-LLVKDONJSA-N -1 1 382.432 1.143 20 0 GDADMM CC1(C)CC(C(=O)NCCC[C@@H]2CCCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001575631211 950773027 /nfs/dbraw/zinc/77/30/27/950773027.db2.gz LVDLCRUSRHJURU-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CC(C(=O)NCCC[C@@H]2CCCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001575631211 950773040 /nfs/dbraw/zinc/77/30/40/950773040.db2.gz LVDLCRUSRHJURU-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C)c1ccccc1C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573884295 950790776 /nfs/dbraw/zinc/79/07/76/950790776.db2.gz MGLXQPBVJIBXTF-CYBMUJFWSA-N -1 1 392.467 1.963 20 0 GDADMM CC(C)(C)c1ccccc1C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573884295 950790790 /nfs/dbraw/zinc/79/07/90/950790790.db2.gz MGLXQPBVJIBXTF-CYBMUJFWSA-N -1 1 392.467 1.963 20 0 GDADMM CC1(C)CC(CC(=O)NCC2(O)CN(Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001575632540 950801173 /nfs/dbraw/zinc/80/11/73/950801173.db2.gz LNKVBFSWGPYYCS-UHFFFAOYSA-N -1 1 390.513 1.417 20 0 GDADMM C[C@@H]1[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)CCN1C(=O)c1cncnc1 ZINC001575931198 950805595 /nfs/dbraw/zinc/80/55/95/950805595.db2.gz HLEGRQYPASZDFA-APPZFPTMSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCN1C(=O)c1cncnc1 ZINC001575931198 950805609 /nfs/dbraw/zinc/80/56/09/950805609.db2.gz HLEGRQYPASZDFA-APPZFPTMSA-N -1 1 391.848 1.482 20 0 GDADMM CC(C)CCCC(=O)N1CC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001574186305 950806247 /nfs/dbraw/zinc/80/62/47/950806247.db2.gz CARNOEZUGOFVAC-LJQANCHMSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)CCCC(=O)N1CC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001574186305 950806270 /nfs/dbraw/zinc/80/62/70/950806270.db2.gz CARNOEZUGOFVAC-LJQANCHMSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)(C)c1nc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)co1 ZINC001573885131 950814353 /nfs/dbraw/zinc/81/43/53/950814353.db2.gz SNQRVUIENREUAR-SNVBAGLBSA-N -1 1 383.416 1.269 20 0 GDADMM CC(C)(C)c1nc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)co1 ZINC001573885131 950814371 /nfs/dbraw/zinc/81/43/71/950814371.db2.gz SNQRVUIENREUAR-SNVBAGLBSA-N -1 1 383.416 1.269 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cccc2c1CCC2 ZINC001575932250 950822831 /nfs/dbraw/zinc/82/28/31/950822831.db2.gz LBWMXBWYJXESOR-MLGOLLRUSA-N -1 1 390.451 1.861 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cccc2c1CCC2 ZINC001575932250 950822853 /nfs/dbraw/zinc/82/28/53/950822853.db2.gz LBWMXBWYJXESOR-MLGOLLRUSA-N -1 1 390.451 1.861 20 0 GDADMM CC1(C)CC(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nnn[n-]2)C1 ZINC001575638432 950834401 /nfs/dbraw/zinc/83/44/01/950834401.db2.gz CINFINOLTFVNSO-RDBSUJKOSA-N -1 1 382.472 1.709 20 0 GDADMM CC1(C)CC(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nn[n-]n2)C1 ZINC001575638432 950834426 /nfs/dbraw/zinc/83/44/26/950834426.db2.gz CINFINOLTFVNSO-RDBSUJKOSA-N -1 1 382.472 1.709 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576220580 950834837 /nfs/dbraw/zinc/83/48/37/950834837.db2.gz RPNFCBNEJSUSOX-MNOVXSKESA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576220580 950834861 /nfs/dbraw/zinc/83/48/61/950834861.db2.gz RPNFCBNEJSUSOX-MNOVXSKESA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H](CN(C)C(=O)c1onc2c1CCCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574767215 950840057 /nfs/dbraw/zinc/84/00/57/950840057.db2.gz NEGLRJRPJATJAH-SNVBAGLBSA-N -1 1 383.416 1.096 20 0 GDADMM C[C@H](CN(C)C(=O)c1onc2c1CCCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574767215 950840080 /nfs/dbraw/zinc/84/00/80/950840080.db2.gz NEGLRJRPJATJAH-SNVBAGLBSA-N -1 1 383.416 1.096 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)n1 ZINC001573887505 950843299 /nfs/dbraw/zinc/84/32/99/950843299.db2.gz FNXQJNRYPRBHMJ-ZDUSSCGKSA-N -1 1 381.396 1.538 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)n1 ZINC001573887505 950843316 /nfs/dbraw/zinc/84/33/16/950843316.db2.gz FNXQJNRYPRBHMJ-ZDUSSCGKSA-N -1 1 381.396 1.538 20 0 GDADMM CC1(C)C[C@H](NC(=O)[C@H]2CC23CC3)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575638680 950843396 /nfs/dbraw/zinc/84/33/96/950843396.db2.gz IITKGFCCGWMZLD-CHWSQXEVSA-N -1 1 382.472 1.568 20 0 GDADMM CC1(C)C[C@H](NC(=O)[C@H]2CC23CC3)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575638680 950843413 /nfs/dbraw/zinc/84/34/13/950843413.db2.gz IITKGFCCGWMZLD-CHWSQXEVSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H]1CCc2c(C(=O)NCCNc3cncc(-c4nnn[n-]4)n3)csc2C1 ZINC001576220937 950843426 /nfs/dbraw/zinc/84/34/26/950843426.db2.gz XZPIMTUIPZVQRW-JTQLQIEISA-N -1 1 384.469 1.685 20 0 GDADMM C[C@H]1CCc2c(C(=O)NCCNc3cncc(-c4nn[n-]n4)n3)csc2C1 ZINC001576220937 950843441 /nfs/dbraw/zinc/84/34/41/950843441.db2.gz XZPIMTUIPZVQRW-JTQLQIEISA-N -1 1 384.469 1.685 20 0 GDADMM CC1(C)C[C@H](NC(=O)c2ccc[nH]2)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575639872 950881424 /nfs/dbraw/zinc/88/14/24/950881424.db2.gz CDOONVQELGCYDW-GFCCVEGCSA-N -1 1 381.444 1.410 20 0 GDADMM CC1(C)C[C@H](NC(=O)c2ccc[nH]2)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575639872 950881443 /nfs/dbraw/zinc/88/14/43/950881443.db2.gz CDOONVQELGCYDW-GFCCVEGCSA-N -1 1 381.444 1.410 20 0 GDADMM CC1(C)C[C@H](NC(=O)CCC2CC2)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575639875 950882206 /nfs/dbraw/zinc/88/22/06/950882206.db2.gz CEEKGTZKRFIQNG-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)C[C@H](NC(=O)CCC2CC2)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575639875 950882220 /nfs/dbraw/zinc/88/22/20/950882220.db2.gz CEEKGTZKRFIQNG-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(CC(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001573893449 950884085 /nfs/dbraw/zinc/88/40/85/950884085.db2.gz GNEQVNJDBUPJNZ-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)(CC(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573893449 950884098 /nfs/dbraw/zinc/88/40/98/950884098.db2.gz GNEQVNJDBUPJNZ-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H]1CN(C(=O)C2CC3(CCC3)C2)CC[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576226433 950884946 /nfs/dbraw/zinc/88/49/46/950884946.db2.gz BIAMDGPSJFUORN-JSGCOSHPSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@H]1CN(C(=O)C2CC3(CCC3)C2)CC[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576226433 950884968 /nfs/dbraw/zinc/88/49/68/950884968.db2.gz BIAMDGPSJFUORN-JSGCOSHPSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@@H](CN(C)C(=O)c1coc(C(C)(C)C)n1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574768502 950891996 /nfs/dbraw/zinc/89/19/96/950891996.db2.gz YFESSGDITVLUBF-JTQLQIEISA-N -1 1 385.432 1.515 20 0 GDADMM C[C@@H](CN(C)C(=O)c1coc(C(C)(C)C)n1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574768502 950892005 /nfs/dbraw/zinc/89/20/05/950892005.db2.gz YFESSGDITVLUBF-JTQLQIEISA-N -1 1 385.432 1.515 20 0 GDADMM C[C@@H]1[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCN1C(=O)c1ccon1 ZINC001575935783 950893399 /nfs/dbraw/zinc/89/33/99/950893399.db2.gz YRWTUKRAXGQALL-RNFRBKRXSA-N -1 1 380.821 1.680 20 0 GDADMM CC(C)CCCC(=O)NC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCCO1 ZINC001574192309 950930846 /nfs/dbraw/zinc/93/08/46/950930846.db2.gz LSGJGCUSKJCFHT-AWEZNQCLSA-N -1 1 388.476 1.195 20 0 GDADMM CC(C)CCCC(=O)NC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCCO1 ZINC001574192309 950930861 /nfs/dbraw/zinc/93/08/61/950930861.db2.gz LSGJGCUSKJCFHT-AWEZNQCLSA-N -1 1 388.476 1.195 20 0 GDADMM C[C@H]1CN(C(=O)C2(F)CCCC2)CC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576228278 950933569 /nfs/dbraw/zinc/93/35/69/950933569.db2.gz GIWDCJVAMHYYIB-QWHCGFSZSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@H]1CN(C(=O)C2(F)CCCC2)CC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576228278 950933588 /nfs/dbraw/zinc/93/35/88/950933588.db2.gz GIWDCJVAMHYYIB-QWHCGFSZSA-N -1 1 388.451 1.836 20 0 GDADMM CC(C)(CC(=O)N[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C)C1CC1 ZINC001573896232 950947069 /nfs/dbraw/zinc/94/70/69/950947069.db2.gz GWLMOUIORGFHAW-ZDUSSCGKSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C)C1CC1 ZINC001573897440 950960170 /nfs/dbraw/zinc/96/01/70/950960170.db2.gz PFPMVEZXUOUBGP-CQSZACIVSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C)C1CC1 ZINC001573897440 950960183 /nfs/dbraw/zinc/96/01/83/950960183.db2.gz PFPMVEZXUOUBGP-CQSZACIVSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H]1C[C@@H](C(=O)N(C)CC(C)(C)CNc2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001575937789 950960601 /nfs/dbraw/zinc/96/06/01/950960601.db2.gz HDDWQPKJFAMPIR-OLZOCXBDSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@@H]1C[C@@H](C(=O)N(C)CC(C)(C)CNc2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001575937789 950960618 /nfs/dbraw/zinc/96/06/18/950960618.db2.gz HDDWQPKJFAMPIR-OLZOCXBDSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@H]1[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCN1C(=O)c1cnon1 ZINC001575938324 950976845 /nfs/dbraw/zinc/97/68/45/950976845.db2.gz KGMCEZAEEKYLFU-WDSKDSINSA-N -1 1 381.809 1.075 20 0 GDADMM C[C@H]1[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCN1C(=O)c1cnon1 ZINC001575938324 950976851 /nfs/dbraw/zinc/97/68/51/950976851.db2.gz KGMCEZAEEKYLFU-WDSKDSINSA-N -1 1 381.809 1.075 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573899839 950987868 /nfs/dbraw/zinc/98/78/68/950987868.db2.gz LJZGPNZFWOQVOH-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573899839 950987902 /nfs/dbraw/zinc/98/79/02/950987902.db2.gz LJZGPNZFWOQVOH-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573899836 950988593 /nfs/dbraw/zinc/98/85/93/950988593.db2.gz KXQHPCSRSFYFEF-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573899836 950988602 /nfs/dbraw/zinc/98/86/02/950988602.db2.gz KXQHPCSRSFYFEF-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(CC(=O)NCCCN(c1nccnc1-c1nnn[n-]1)C1CC1)C1CC1 ZINC001573900155 950998801 /nfs/dbraw/zinc/99/88/01/950998801.db2.gz RMIQVEQXEULBTM-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(CC(=O)NCCCN(c1nccnc1-c1nn[n-]n1)C1CC1)C1CC1 ZINC001573900155 950998819 /nfs/dbraw/zinc/99/88/19/950998819.db2.gz RMIQVEQXEULBTM-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)F)c(F)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575019431 951038323 /nfs/dbraw/zinc/03/83/23/951038323.db2.gz SZCWFSWFGQOEGC-QMMMGPOBSA-N -1 1 392.345 1.386 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)c(F)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575022163 951070140 /nfs/dbraw/zinc/07/01/40/951070140.db2.gz ICWYOMZJOGKYJK-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)c(F)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575022163 951070151 /nfs/dbraw/zinc/07/01/51/951070151.db2.gz ICWYOMZJOGKYJK-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C2CC2)cc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575022826 951072992 /nfs/dbraw/zinc/07/29/92/951072992.db2.gz KGPOUMQJYJFLDB-GFCCVEGCSA-N -1 1 378.440 1.789 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C2CC2)cc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575022826 951073001 /nfs/dbraw/zinc/07/30/01/951073001.db2.gz KGPOUMQJYJFLDB-GFCCVEGCSA-N -1 1 378.440 1.789 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)cc1F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575024135 951092313 /nfs/dbraw/zinc/09/23/13/951092313.db2.gz WCHNMZDCAWVCLK-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)cc1F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575024135 951092328 /nfs/dbraw/zinc/09/23/28/951092328.db2.gz WCHNMZDCAWVCLK-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM CC(C)Oc1ccc(C(=O)NC[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)nc1 ZINC001575024830 951117232 /nfs/dbraw/zinc/11/72/32/951117232.db2.gz NKXSIISKEAOPAO-NSHDSACASA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1ccc(C(=O)NC[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)nc1 ZINC001575024830 951117239 /nfs/dbraw/zinc/11/72/39/951117239.db2.gz NKXSIISKEAOPAO-NSHDSACASA-N -1 1 383.416 1.069 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)cc1Cl)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575025025 951123308 /nfs/dbraw/zinc/12/33/08/951123308.db2.gz RYBGIMLCMISRAF-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)cc1Cl)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575025025 951123313 /nfs/dbraw/zinc/12/33/13/951123313.db2.gz RYBGIMLCMISRAF-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCC=C2)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575025185 951129024 /nfs/dbraw/zinc/12/90/24/951129024.db2.gz WYPLTSXCHHDOEB-CYBMUJFWSA-N -1 1 390.451 1.871 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)CCC=C2)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575025185 951129029 /nfs/dbraw/zinc/12/90/29/951129029.db2.gz WYPLTSXCHHDOEB-CYBMUJFWSA-N -1 1 390.451 1.871 20 0 GDADMM CC(C)Oc1ccccc1C(=O)NC[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575026951 951150096 /nfs/dbraw/zinc/15/00/96/951150096.db2.gz BGZOEYPWRCRFKB-LBPRGKRZSA-N -1 1 382.428 1.674 20 0 GDADMM CC(C)Oc1ccccc1C(=O)NC[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575026951 951150105 /nfs/dbraw/zinc/15/01/05/951150105.db2.gz BGZOEYPWRCRFKB-LBPRGKRZSA-N -1 1 382.428 1.674 20 0 GDADMM CC(C)c1ccccc1C(=O)NC[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575028945 951178911 /nfs/dbraw/zinc/17/89/11/951178911.db2.gz QBMJPGDKBUSVCW-ZDUSSCGKSA-N -1 1 380.456 1.680 20 0 GDADMM C[C@H](CNC(=O)c1ccccc1C1(C)CC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575029583 951186798 /nfs/dbraw/zinc/18/67/98/951186798.db2.gz VXRSNKUFEWJCLK-GFCCVEGCSA-N -1 1 378.440 1.361 20 0 GDADMM C[C@H](CNC(=O)c1ccn(C2CCCC2)n1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575036724 951301859 /nfs/dbraw/zinc/30/18/59/951301859.db2.gz WZELXJFUTXHAJR-LLVKDONJSA-N -1 1 382.432 1.199 20 0 GDADMM C[C@H](CNC(=O)c1ccn(C2CCCC2)n1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575036724 951301865 /nfs/dbraw/zinc/30/18/65/951301865.db2.gz WZELXJFUTXHAJR-LLVKDONJSA-N -1 1 382.432 1.199 20 0 GDADMM C[C@@H](CNC(=O)c1ccsn1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575038139 951315428 /nfs/dbraw/zinc/31/54/28/951315428.db2.gz GEFIQQAUFODEBD-LURJTMIESA-N -1 1 384.878 1.911 20 0 GDADMM C[C@@H](CNC(=O)c1ccsn1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575038139 951315440 /nfs/dbraw/zinc/31/54/40/951315440.db2.gz GEFIQQAUFODEBD-LURJTMIESA-N -1 1 384.878 1.911 20 0 GDADMM CC(C)Oc1cncc(C(=O)NC[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001575045743 951432413 /nfs/dbraw/zinc/43/24/13/951432413.db2.gz GNOIIWBWFWAJSH-NSHDSACASA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1cncc(C(=O)NC[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001575045743 951432421 /nfs/dbraw/zinc/43/24/21/951432421.db2.gz GNOIIWBWFWAJSH-NSHDSACASA-N -1 1 383.416 1.069 20 0 GDADMM C[C@@H](CNC(=O)c1cncnc1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575045797 951433898 /nfs/dbraw/zinc/43/38/98/951433898.db2.gz HUMCYWZLXWRAQE-ZETCQYMHSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1cncnc1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575045797 951433906 /nfs/dbraw/zinc/43/39/06/951433906.db2.gz HUMCYWZLXWRAQE-ZETCQYMHSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@H](CNC(=O)c1csc(C2CC2)n1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575056316 951517787 /nfs/dbraw/zinc/51/77/87/951517787.db2.gz HHWRGRNSQCVZAO-SECBINFHSA-N -1 1 385.457 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1coc(C(C)(C)C)n1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575057382 951527120 /nfs/dbraw/zinc/52/71/20/951527120.db2.gz OVMRKXVMBWTNGT-JTQLQIEISA-N -1 1 385.432 1.197 20 0 GDADMM C[C@@H](CNC(=O)c1coc(C(C)(C)C)n1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575057382 951527129 /nfs/dbraw/zinc/52/71/29/951527129.db2.gz OVMRKXVMBWTNGT-JTQLQIEISA-N -1 1 385.432 1.197 20 0 GDADMM C[C@H](CNC(=O)c1nc(Cl)cs1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575060814 951549146 /nfs/dbraw/zinc/54/91/46/951549146.db2.gz GYERKGIAGUHEOP-SSDOTTSWSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@H](CNC(=O)c1nc(Cl)cs1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575060814 951549150 /nfs/dbraw/zinc/54/91/50/951549150.db2.gz GYERKGIAGUHEOP-SSDOTTSWSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@@H](CNC(=O)c1cscn1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575061942 951562980 /nfs/dbraw/zinc/56/29/80/951562980.db2.gz ROHWQRQMSLZYQY-LURJTMIESA-N -1 1 384.878 1.911 20 0 GDADMM C[C@@H](CNC(=O)c1cscn1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575061942 951562990 /nfs/dbraw/zinc/56/29/90/951562990.db2.gz ROHWQRQMSLZYQY-LURJTMIESA-N -1 1 384.878 1.911 20 0 GDADMM C[C@@H](CNC(=O)c1ncoc1C(C)(C)C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575065377 951585059 /nfs/dbraw/zinc/58/50/59/951585059.db2.gz CACSDQHAEJQSSJ-SNVBAGLBSA-N -1 1 385.432 1.420 20 0 GDADMM C[C@@H](CNC(=O)c1ncoc1C(C)(C)C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575065377 951585064 /nfs/dbraw/zinc/58/50/64/951585064.db2.gz CACSDQHAEJQSSJ-SNVBAGLBSA-N -1 1 385.432 1.420 20 0 GDADMM C[C@H](CNC(=O)c1ncsc1C1CC1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575066975 951601565 /nfs/dbraw/zinc/60/15/65/951601565.db2.gz OGURIRASPYNNPX-SECBINFHSA-N -1 1 385.457 1.245 20 0 GDADMM C[C@H](CNC(=O)c1ncsc1C1CC1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575066975 951601577 /nfs/dbraw/zinc/60/15/77/951601577.db2.gz OGURIRASPYNNPX-SECBINFHSA-N -1 1 385.457 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1sccc1C1CC1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575070590 951651816 /nfs/dbraw/zinc/65/18/16/951651816.db2.gz RZSKGAPLWYHQJD-SNVBAGLBSA-N -1 1 384.469 1.496 20 0 GDADMM C[C@H](CNC(=O)c1sccc1C1CC1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575070589 951652264 /nfs/dbraw/zinc/65/22/64/951652264.db2.gz RZSKGAPLWYHQJD-JTQLQIEISA-N -1 1 384.469 1.496 20 0 GDADMM O=C([O-])CN1CCC[C@@H](C(=O)Nc2cccc(CN3CCSCC3)c2)C1=O ZINC001595086482 951734549 /nfs/dbraw/zinc/73/45/49/951734549.db2.gz DBOMDSMIUTUIBX-INIZCTEOSA-N -1 1 391.493 1.497 20 0 GDADMM C[C@@H](CNS(=O)(=O)c1ccsc1-c1nn[n-]n1)Oc1ccccc1F ZINC001575118856 951986294 /nfs/dbraw/zinc/98/62/94/951986294.db2.gz UNLCEYCWRYHZHW-VIFPVBQESA-N -1 1 383.430 1.813 20 0 GDADMM O=C([O-])Cn1cc(C(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)nn1 ZINC001595143224 952098412 /nfs/dbraw/zinc/09/84/12/952098412.db2.gz WDZWFAVAJQKMDR-SFHVURJKSA-N -1 1 376.376 1.758 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)C(C)(C)[C@H]1CCCCO1 ZINC001575135422 952117785 /nfs/dbraw/zinc/11/77/85/952117785.db2.gz RLCVPQTYQHHUDJ-GXTWGEPZSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)C(C)(C)[C@H]1CCCCO1 ZINC001575135422 952117791 /nfs/dbraw/zinc/11/77/91/952117791.db2.gz RLCVPQTYQHHUDJ-GXTWGEPZSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ccc2c(c1)COC2 ZINC001575135850 952120434 /nfs/dbraw/zinc/12/04/34/952120434.db2.gz SIYPIPRPLYLAFB-LLVKDONJSA-N -1 1 380.412 1.260 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ccc2c(c1)COC2 ZINC001575135850 952120442 /nfs/dbraw/zinc/12/04/42/952120442.db2.gz SIYPIPRPLYLAFB-LLVKDONJSA-N -1 1 380.412 1.260 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)CCCC1CCOCC1 ZINC001575136242 952122593 /nfs/dbraw/zinc/12/25/93/952122593.db2.gz UDDYECBANKFCCP-CYBMUJFWSA-N -1 1 388.476 1.512 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)CCCC1CCOCC1 ZINC001575136242 952122599 /nfs/dbraw/zinc/12/25/99/952122599.db2.gz UDDYECBANKFCCP-CYBMUJFWSA-N -1 1 388.476 1.512 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)C[C@H]1CCC(F)(F)C1 ZINC001575135947 952122891 /nfs/dbraw/zinc/12/28/91/952122891.db2.gz UCDPEHWACPKVIM-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)C[C@H]1CCC(F)(F)C1 ZINC001575135947 952122897 /nfs/dbraw/zinc/12/28/97/952122897.db2.gz UCDPEHWACPKVIM-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)C(C)(C)CC(F)(F)F ZINC001575136473 952126096 /nfs/dbraw/zinc/12/60/96/952126096.db2.gz VLQBDDXMQJRFQP-VIFPVBQESA-N -1 1 386.382 1.894 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)C(C)(C)CC(F)(F)F ZINC001575136473 952126100 /nfs/dbraw/zinc/12/61/00/952126100.db2.gz VLQBDDXMQJRFQP-VIFPVBQESA-N -1 1 386.382 1.894 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cc(Cl)cs1 ZINC001575136747 952127032 /nfs/dbraw/zinc/12/70/32/952127032.db2.gz WFSCXQDOOLJIEH-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cc(Cl)cs1 ZINC001575136747 952127035 /nfs/dbraw/zinc/12/70/35/952127035.db2.gz WFSCXQDOOLJIEH-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)Cc1ccc2c(c1)CCC2 ZINC001575140730 952143721 /nfs/dbraw/zinc/14/37/21/952143721.db2.gz FUAMLGKDCIKLHH-ZDUSSCGKSA-N -1 1 392.467 1.069 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C1[C@H]2CCCCCC[C@H]12 ZINC001575143636 952155832 /nfs/dbraw/zinc/15/58/32/952155832.db2.gz QFTAKVIGMPKYFS-RDBSUJKOSA-N -1 1 384.488 1.554 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc2c(o1)CCCC2 ZINC001575143633 952156372 /nfs/dbraw/zinc/15/63/72/952156372.db2.gz BWGWOOQBHIZEGU-NSHDSACASA-N -1 1 382.428 1.123 20 0 GDADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)C[C@@H]1C[C@H]1C1CC1)C1CC1 ZINC001575143964 952159145 /nfs/dbraw/zinc/15/91/45/952159145.db2.gz STIQMRZQASFPKA-PTAUBWNISA-N -1 1 382.472 1.212 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1cccc(F)c1Cl ZINC001575144659 952169539 /nfs/dbraw/zinc/16/95/39/952169539.db2.gz KARYJEMGZZRGEV-SECBINFHSA-N -1 1 390.810 1.444 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C[C@@H]1CCC(F)(F)C1 ZINC001575144739 952171037 /nfs/dbraw/zinc/17/10/37/952171037.db2.gz XTEGMPDKEJRQNX-QWRGUYRKSA-N -1 1 380.403 1.163 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)C1(c2ccccc2)CC1 ZINC001575153446 952209641 /nfs/dbraw/zinc/20/96/41/952209641.db2.gz HMXWRWAIBMDTMI-CYBMUJFWSA-N -1 1 378.440 1.647 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)C1(c2ccccc2)CC1 ZINC001575153446 952209648 /nfs/dbraw/zinc/20/96/48/952209648.db2.gz HMXWRWAIBMDTMI-CYBMUJFWSA-N -1 1 378.440 1.647 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)C(C)(C)[C@@H]1CCCCO1 ZINC001575154682 952229223 /nfs/dbraw/zinc/22/92/23/952229223.db2.gz ULEKUTBMPNBIMW-JSGCOSHPSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)C(C)(C)[C@@H]1CCCCO1 ZINC001575154682 952229228 /nfs/dbraw/zinc/22/92/28/952229228.db2.gz ULEKUTBMPNBIMW-JSGCOSHPSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)Cc1cscn1)C1CC1 ZINC001575155065 952234393 /nfs/dbraw/zinc/23/43/93/952234393.db2.gz JYXKWIVSBUFHHY-INIZCTEOSA-N -1 1 385.457 1.053 20 0 GDADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)Cc1cscn1)C1CC1 ZINC001575155065 952234397 /nfs/dbraw/zinc/23/43/97/952234397.db2.gz JYXKWIVSBUFHHY-INIZCTEOSA-N -1 1 385.457 1.053 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ccc(N(C)C)cc1 ZINC001575155317 952236606 /nfs/dbraw/zinc/23/66/06/952236606.db2.gz KWKWGIAALZMPNV-LBPRGKRZSA-N -1 1 381.444 1.295 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ccc(N(C)C)cc1 ZINC001575155317 952236614 /nfs/dbraw/zinc/23/66/14/952236614.db2.gz KWKWGIAALZMPNV-LBPRGKRZSA-N -1 1 381.444 1.295 20 0 GDADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)[C@@H]1CCC1(F)F)C1CC1 ZINC001575155558 952241473 /nfs/dbraw/zinc/24/14/73/952241473.db2.gz NGORSZVRNCSFPD-BONVTDFDSA-N -1 1 378.387 1.399 20 0 GDADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)[C@@H]1CCC1(F)F)C1CC1 ZINC001575155558 952241480 /nfs/dbraw/zinc/24/14/80/952241480.db2.gz NGORSZVRNCSFPD-BONVTDFDSA-N -1 1 378.387 1.399 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cc(C(C)(C)C)on1 ZINC001575155563 952242154 /nfs/dbraw/zinc/24/21/54/952242154.db2.gz NLGNXKIOQAYRFU-JTQLQIEISA-N -1 1 385.432 1.515 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cc(C(C)(C)C)on1 ZINC001575155563 952242161 /nfs/dbraw/zinc/24/21/61/952242161.db2.gz NLGNXKIOQAYRFU-JTQLQIEISA-N -1 1 385.432 1.515 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ncc(Cl)s1 ZINC001575155634 952243188 /nfs/dbraw/zinc/24/31/88/952243188.db2.gz OTRCSYGJJNCUCZ-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ncc(Cl)s1 ZINC001575155634 952243195 /nfs/dbraw/zinc/24/31/95/952243195.db2.gz OTRCSYGJJNCUCZ-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001575156073 952247676 /nfs/dbraw/zinc/24/76/76/952247676.db2.gz CAZXSBUYFYAFBZ-FPMFFAJLSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001575156073 952247680 /nfs/dbraw/zinc/24/76/80/952247680.db2.gz CAZXSBUYFYAFBZ-FPMFFAJLSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)c1ccccc1O)C1CC1 ZINC001575156586 952255605 /nfs/dbraw/zinc/25/56/05/952255605.db2.gz VFWNVBLHWAQHAX-SFHVURJKSA-N -1 1 380.412 1.373 20 0 GDADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)c1ccccc1O)C1CC1 ZINC001575156586 952255611 /nfs/dbraw/zinc/25/56/11/952255611.db2.gz VFWNVBLHWAQHAX-SFHVURJKSA-N -1 1 380.412 1.373 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1ccnc(C2CC2)c1 ZINC001575156674 952257037 /nfs/dbraw/zinc/25/70/37/952257037.db2.gz HKOSDRNLAZTQAX-NSHDSACASA-N -1 1 379.428 1.502 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccnc(C2CC2)c1 ZINC001575156674 952257043 /nfs/dbraw/zinc/25/70/43/952257043.db2.gz HKOSDRNLAZTQAX-NSHDSACASA-N -1 1 379.428 1.502 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)Cc1cccc(F)c1F ZINC001575158250 952270061 /nfs/dbraw/zinc/27/00/61/952270061.db2.gz SBDPXMZXFQULBM-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)Cc1cccc(F)c1F ZINC001575158250 952270067 /nfs/dbraw/zinc/27/00/67/952270067.db2.gz SBDPXMZXFQULBM-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CCc1ccccc1F ZINC001575159063 952276562 /nfs/dbraw/zinc/27/65/62/952276562.db2.gz YMYYVCHHIXKVNK-GFCCVEGCSA-N -1 1 384.419 1.687 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CCc1ccccc1F ZINC001575159063 952276565 /nfs/dbraw/zinc/27/65/65/952276565.db2.gz YMYYVCHHIXKVNK-GFCCVEGCSA-N -1 1 384.419 1.687 20 0 GDADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)C1CCOCC1 ZINC001575164102 952286974 /nfs/dbraw/zinc/28/69/74/952286974.db2.gz BLFXZQKERKVTRJ-QMMMGPOBSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)[C@H]1CC12CCCC2)C1CC1 ZINC001575174028 952361596 /nfs/dbraw/zinc/36/15/96/952361596.db2.gz FNEGYLJGGVJCJW-ACJLOTCBSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)[C@H]1CC12CCCC2)C1CC1 ZINC001575174028 952361605 /nfs/dbraw/zinc/36/16/05/952361605.db2.gz FNEGYLJGGVJCJW-ACJLOTCBSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)C1CC(F)(F)C1)C1CC1 ZINC001575174474 952372610 /nfs/dbraw/zinc/37/26/10/952372610.db2.gz PCAKJEHKGZUCPK-HNNXBMFYSA-N -1 1 378.387 1.399 20 0 GDADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)C1CC(F)(F)C1)C1CC1 ZINC001575174474 952372617 /nfs/dbraw/zinc/37/26/17/952372617.db2.gz PCAKJEHKGZUCPK-HNNXBMFYSA-N -1 1 378.387 1.399 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)CC(C)(C)C(F)(F)F ZINC001575175152 952381707 /nfs/dbraw/zinc/38/17/07/952381707.db2.gz VIMNECVZMPOOSW-VIFPVBQESA-N -1 1 386.382 1.894 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)CC(C)(C)C(F)(F)F ZINC001575175152 952381714 /nfs/dbraw/zinc/38/17/14/952381714.db2.gz VIMNECVZMPOOSW-VIFPVBQESA-N -1 1 386.382 1.894 20 0 GDADMM C[C@H](COC1CCCC1)CS(=O)(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001575177594 952401336 /nfs/dbraw/zinc/40/13/36/952401336.db2.gz MABJOGJUEONIBS-GFCCVEGCSA-N -1 1 380.474 1.276 20 0 GDADMM C[C@H](COC1CCCC1)CS(=O)(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001575177594 952401338 /nfs/dbraw/zinc/40/13/38/952401338.db2.gz MABJOGJUEONIBS-GFCCVEGCSA-N -1 1 380.474 1.276 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)COc1ccc(F)cc1 ZINC001575180102 952415600 /nfs/dbraw/zinc/41/56/00/952415600.db2.gz RPKQPLHFIBSVJG-LLVKDONJSA-N -1 1 386.391 1.134 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)COc1ccc(F)cc1 ZINC001575180102 952415601 /nfs/dbraw/zinc/41/56/01/952415601.db2.gz RPKQPLHFIBSVJG-LLVKDONJSA-N -1 1 386.391 1.134 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)c1cccn1C ZINC001575180950 952421667 /nfs/dbraw/zinc/42/16/67/952421667.db2.gz YNIGLMPZWJWKGN-QMMMGPOBSA-N -1 1 380.865 1.888 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)c1cccn1C ZINC001575180950 952421675 /nfs/dbraw/zinc/42/16/75/952421675.db2.gz YNIGLMPZWJWKGN-QMMMGPOBSA-N -1 1 380.865 1.888 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)c1ccccn1 ZINC001575180985 952422004 /nfs/dbraw/zinc/42/20/04/952422004.db2.gz ZEKHUWOBYUEFCR-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)c1ccccn1 ZINC001575180985 952422006 /nfs/dbraw/zinc/42/20/06/952422006.db2.gz ZEKHUWOBYUEFCR-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](Cc1cccc(F)c1)C(=O)NCCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575187547 952442269 /nfs/dbraw/zinc/44/22/69/952442269.db2.gz CVHNIEVAISRZPP-GFCCVEGCSA-N -1 1 384.419 1.227 20 0 GDADMM C[C@H](Cc1cccc(F)c1)C(=O)NCCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575187547 952442273 /nfs/dbraw/zinc/44/22/73/952442273.db2.gz CVHNIEVAISRZPP-GFCCVEGCSA-N -1 1 384.419 1.227 20 0 GDADMM C[C@@H](Cc1cccc(F)c1)C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001575187950 952445480 /nfs/dbraw/zinc/44/54/80/952445480.db2.gz FZTHUMWJFXSNLO-LBPRGKRZSA-N -1 1 384.419 1.545 20 0 GDADMM C[C@@H](Cc1cccc(F)c1)C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001575187950 952445482 /nfs/dbraw/zinc/44/54/82/952445482.db2.gz FZTHUMWJFXSNLO-LBPRGKRZSA-N -1 1 384.419 1.545 20 0 GDADMM C[C@H](Cc1ccc(F)cc1)C(=O)NCCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575190648 952463714 /nfs/dbraw/zinc/46/37/14/952463714.db2.gz VFAPTHRLXHAYGQ-GFCCVEGCSA-N -1 1 384.419 1.227 20 0 GDADMM C[C@H](Cc1ccc(F)cc1)C(=O)NCCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575190648 952463720 /nfs/dbraw/zinc/46/37/20/952463720.db2.gz VFAPTHRLXHAYGQ-GFCCVEGCSA-N -1 1 384.419 1.227 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001575195844 952472641 /nfs/dbraw/zinc/47/26/41/952472641.db2.gz BYHKLFSPAOPMNQ-OLZOCXBDSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001575195844 952472650 /nfs/dbraw/zinc/47/26/50/952472650.db2.gz BYHKLFSPAOPMNQ-OLZOCXBDSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001575196848 952478287 /nfs/dbraw/zinc/47/82/87/952478287.db2.gz JTYQWYPPZZGMFM-IAQYHMDHSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001575196848 952478292 /nfs/dbraw/zinc/47/82/92/952478292.db2.gz JTYQWYPPZZGMFM-IAQYHMDHSA-N -1 1 382.428 1.435 20 0 GDADMM COc1cc(CCNC(=O)NCc2nc(-c3nnn[n-]3)cs2)ccc1O ZINC001571118379 952487849 /nfs/dbraw/zinc/48/78/49/952487849.db2.gz WNEDPONFEZWMPM-UHFFFAOYSA-N -1 1 375.414 1.079 20 0 GDADMM COc1cc(CCNC(=O)NCc2nc(-c3nn[n-]n3)cs2)ccc1O ZINC001571118379 952487853 /nfs/dbraw/zinc/48/78/53/952487853.db2.gz WNEDPONFEZWMPM-UHFFFAOYSA-N -1 1 375.414 1.079 20 0 GDADMM OCC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)c1ccccc1Br ZINC001571119611 952493729 /nfs/dbraw/zinc/49/37/29/952493729.db2.gz DCVDXCXVDXQLAF-LLVKDONJSA-N -1 1 376.218 1.377 20 0 GDADMM O=C(NC[C@H]1Cc2ccccc2CN1c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001571121298 952519515 /nfs/dbraw/zinc/51/95/15/952519515.db2.gz XXQCOIKIKLGVTI-OAHLLOKOSA-N -1 1 376.424 1.114 20 0 GDADMM O=C(NC[C@H]1Cc2ccccc2CN1c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001571121298 952519518 /nfs/dbraw/zinc/51/95/18/952519518.db2.gz XXQCOIKIKLGVTI-OAHLLOKOSA-N -1 1 376.424 1.114 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)[C@H](CC)SC)C2)cc(-c2nnn[n-]2)n1 ZINC001571121966 952523325 /nfs/dbraw/zinc/52/33/25/952523325.db2.gz GMGNHICSNAVYPA-PWSUYJOCSA-N -1 1 376.490 1.374 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)[C@H](CC)SC)C2)cc(-c2nn[n-]n2)n1 ZINC001571121966 952523329 /nfs/dbraw/zinc/52/33/29/952523329.db2.gz GMGNHICSNAVYPA-PWSUYJOCSA-N -1 1 376.490 1.374 20 0 GDADMM Cc1nnsc1C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001571122841 952527441 /nfs/dbraw/zinc/52/74/41/952527441.db2.gz MKIWCDMLCFDACC-UHFFFAOYSA-N -1 1 376.471 1.046 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CCN(c3snc(C)c3-c3nn[n-]n3)C2)ns1 ZINC001571123085 952528212 /nfs/dbraw/zinc/52/82/12/952528212.db2.gz OABWZCXEBBTDRP-SECBINFHSA-N -1 1 376.471 1.405 20 0 GDADMM CS[C@H](C)C(=O)N1CCC[C@@H]1CN(C)c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001571124022 952534067 /nfs/dbraw/zinc/53/40/67/952534067.db2.gz XFCANKZKBMWIDO-VXGBXAGGSA-N -1 1 376.490 1.144 20 0 GDADMM CS[C@H](C)C(=O)N1CCC[C@@H]1CN(C)c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001571124022 952534071 /nfs/dbraw/zinc/53/40/71/952534071.db2.gz XFCANKZKBMWIDO-VXGBXAGGSA-N -1 1 376.490 1.144 20 0 GDADMM CO[C@@H]1CCC[C@@H]1C(=O)N1CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001571127321 952553613 /nfs/dbraw/zinc/55/36/13/952553613.db2.gz CWQICCVOKAAVFD-NWDGAFQWSA-N -1 1 377.474 1.095 20 0 GDADMM Cc1nsc(N2CC[C@H](N(C)C(=O)C3CCOCC3)C2)c1-c1nn[n-]n1 ZINC001571127334 952554244 /nfs/dbraw/zinc/55/42/44/952554244.db2.gz DLJUMWIHVQGSAI-LBPRGKRZSA-N -1 1 377.474 1.095 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001575214181 952562083 /nfs/dbraw/zinc/56/20/83/952562083.db2.gz KBLHGGLVBIPUMY-PHIMTYICSA-N -1 1 392.414 1.233 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001575214181 952562087 /nfs/dbraw/zinc/56/20/87/952562087.db2.gz KBLHGGLVBIPUMY-PHIMTYICSA-N -1 1 392.414 1.233 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575215915 952570339 /nfs/dbraw/zinc/57/03/39/952570339.db2.gz ZFAUZLHNCQKWSM-JTQLQIEISA-N -1 1 380.403 1.423 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575215915 952570343 /nfs/dbraw/zinc/57/03/43/952570343.db2.gz ZFAUZLHNCQKWSM-JTQLQIEISA-N -1 1 380.403 1.423 20 0 GDADMM CCO[C@@H]1C[C@@H]1C(=O)N1CCC(Nc2snc(C)c2-c2nn[n-]n2)CC1 ZINC001571128824 952571034 /nfs/dbraw/zinc/57/10/34/952571034.db2.gz XTZLDHFNZKWCLG-NWDGAFQWSA-N -1 1 377.474 1.460 20 0 GDADMM O=C(NC[C@@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCC1(F)F ZINC001571129173 952573352 /nfs/dbraw/zinc/57/33/52/952573352.db2.gz AVOCTTZEKCVCQQ-QWRGUYRKSA-N -1 1 378.387 1.177 20 0 GDADMM O=C(NC[C@@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCC1(F)F ZINC001571129173 952573353 /nfs/dbraw/zinc/57/33/53/952573353.db2.gz AVOCTTZEKCVCQQ-QWRGUYRKSA-N -1 1 378.387 1.177 20 0 GDADMM Cc1ccc(C(=O)N2CCCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001571134271 952588360 /nfs/dbraw/zinc/58/83/60/952588360.db2.gz GWCCKDHYYBYKIN-OAHLLOKOSA-N -1 1 378.440 1.494 20 0 GDADMM Cc1ccc(C)c(C(=O)N2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C[C@H]2C)c1 ZINC001571134260 952588411 /nfs/dbraw/zinc/58/84/11/952588411.db2.gz GPCMVOPBIWGVJF-KGLIPLIRSA-N -1 1 378.440 1.989 20 0 GDADMM Cc1ccc(C)c(C(=O)N2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C[C@H]2C)c1 ZINC001571134260 952588413 /nfs/dbraw/zinc/58/84/13/952588413.db2.gz GPCMVOPBIWGVJF-KGLIPLIRSA-N -1 1 378.440 1.989 20 0 GDADMM Cc1cccc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C)c1C ZINC001571134474 952591105 /nfs/dbraw/zinc/59/11/05/952591105.db2.gz IRCWBFMJVAOXAE-IUODEOHRSA-N -1 1 378.440 1.528 20 0 GDADMM CCS(=O)(=O)c1ccc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)cc1 ZINC001571134890 952596580 /nfs/dbraw/zinc/59/65/80/952596580.db2.gz MUYNPJUAMQFHNA-UHFFFAOYSA-N -1 1 378.439 1.047 20 0 GDADMM CCS(=O)(=O)c1ccc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)cc1 ZINC001571134890 952596582 /nfs/dbraw/zinc/59/65/82/952596582.db2.gz MUYNPJUAMQFHNA-UHFFFAOYSA-N -1 1 378.439 1.047 20 0 GDADMM CCc1ccc(C(=O)N[C@@]2(C)CCN(c3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001571134993 952598855 /nfs/dbraw/zinc/59/88/55/952598855.db2.gz OKVKBWKAYCXTOC-IBGZPJMESA-N -1 1 378.440 1.618 20 0 GDADMM CCc1ccc(C(=O)N[C@@]2(C)CCN(c3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571134993 952598857 /nfs/dbraw/zinc/59/88/57/952598857.db2.gz OKVKBWKAYCXTOC-IBGZPJMESA-N -1 1 378.440 1.618 20 0 GDADMM Cc1cc(C)cc(C(=O)NC[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571135165 952600285 /nfs/dbraw/zinc/60/02/85/952600285.db2.gz QLZMRPDOULGRHW-AWEZNQCLSA-N -1 1 378.440 1.530 20 0 GDADMM Cc1ccc(C(=O)NC[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001571135243 952601337 /nfs/dbraw/zinc/60/13/37/952601337.db2.gz UKYROCPTUUZGCW-CQSZACIVSA-N -1 1 378.440 1.612 20 0 GDADMM Cc1ccc(C(=O)NC[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571135243 952601340 /nfs/dbraw/zinc/60/13/40/952601340.db2.gz UKYROCPTUUZGCW-CQSZACIVSA-N -1 1 378.440 1.612 20 0 GDADMM C[C@@H]1CN(C(=O)c2cc[nH]c2)C[C@@H]1Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001571141015 952630614 /nfs/dbraw/zinc/63/06/14/952630614.db2.gz FOCKCPNMWFCENY-APPZFPTMSA-N -1 1 378.849 1.877 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)CC1 ZINC001571142475 952641686 /nfs/dbraw/zinc/64/16/86/952641686.db2.gz QTOXXNYLZDVQEC-UHFFFAOYSA-N -1 1 378.849 1.576 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)CC1 ZINC001571142475 952641689 /nfs/dbraw/zinc/64/16/89/952641689.db2.gz QTOXXNYLZDVQEC-UHFFFAOYSA-N -1 1 378.849 1.576 20 0 GDADMM Cc1cnccc1CC(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571146237 952647679 /nfs/dbraw/zinc/64/76/79/952647679.db2.gz DVOYDEPVPUKUAN-AWEZNQCLSA-N -1 1 379.428 1.006 20 0 GDADMM Cc1cnccc1CC(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571146237 952647685 /nfs/dbraw/zinc/64/76/85/952647685.db2.gz DVOYDEPVPUKUAN-AWEZNQCLSA-N -1 1 379.428 1.006 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H]3CC[C@@H](C2)N3C(=O)c2ccc[nH]2)n1 ZINC001571147530 952662607 /nfs/dbraw/zinc/66/26/07/952662607.db2.gz NCEGDKOLTHPHLO-OLZOCXBDSA-N -1 1 379.428 1.177 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H]3CC[C@@H](C2)N3C(=O)c2ccc[nH]2)n1 ZINC001571147530 952662609 /nfs/dbraw/zinc/66/26/09/952662609.db2.gz NCEGDKOLTHPHLO-OLZOCXBDSA-N -1 1 379.428 1.177 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3CCCN(C(=O)c4ccc[nH]4)[C@@H]3C2)n1 ZINC001571148296 952666427 /nfs/dbraw/zinc/66/64/27/952666427.db2.gz YENXBEKGJIMZRI-SWLSCSKDSA-N -1 1 379.428 1.034 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3CCCN(C(=O)c4ccc[nH]4)[C@@H]3C2)n1 ZINC001571148296 952666429 /nfs/dbraw/zinc/66/64/29/952666429.db2.gz YENXBEKGJIMZRI-SWLSCSKDSA-N -1 1 379.428 1.034 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccccn2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571148453 952667789 /nfs/dbraw/zinc/66/77/89/952667789.db2.gz ZWYGKBHSCIUORJ-CHWSQXEVSA-N -1 1 379.428 1.262 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccccn2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571148453 952667793 /nfs/dbraw/zinc/66/77/93/952667793.db2.gz ZWYGKBHSCIUORJ-CHWSQXEVSA-N -1 1 379.428 1.262 20 0 GDADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@H]1CCCN(C(=O)c2ccccc2O)C1 ZINC001571154873 952690260 /nfs/dbraw/zinc/69/02/60/952690260.db2.gz CVWQAEKDUMAYIH-LBPRGKRZSA-N -1 1 380.412 1.103 20 0 GDADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@H]1CCCN(C(=O)c2ccccc2O)C1 ZINC001571154873 952690262 /nfs/dbraw/zinc/69/02/62/952690262.db2.gz CVWQAEKDUMAYIH-LBPRGKRZSA-N -1 1 380.412 1.103 20 0 GDADMM C[C@@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)c1ccoc1C1CC1 ZINC001571155114 952692602 /nfs/dbraw/zinc/69/26/02/952692602.db2.gz ICBGQSWJSDCPQR-ZYHUDNBSSA-N -1 1 380.412 1.264 20 0 GDADMM CC(C)(C(=O)N1CCC(CNc2ccc(-c3nnn[n-]3)nn2)CC1)C(F)F ZINC001571155068 952692700 /nfs/dbraw/zinc/69/27/00/952692700.db2.gz GKOZRHNQJCVDPG-UHFFFAOYSA-N -1 1 380.403 1.599 20 0 GDADMM CC(C)(C(=O)N1CCC(CNc2ccc(-c3nn[n-]n3)nn2)CC1)C(F)F ZINC001571155068 952692702 /nfs/dbraw/zinc/69/27/02/952692702.db2.gz GKOZRHNQJCVDPG-UHFFFAOYSA-N -1 1 380.403 1.599 20 0 GDADMM CN(C(=O)c1occ2c1CCC2)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571155711 952698749 /nfs/dbraw/zinc/69/87/49/952698749.db2.gz YEUAWFZIMWEXOD-GFCCVEGCSA-N -1 1 380.412 1.089 20 0 GDADMM CN(C(=O)c1occ2c1CCC2)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571155711 952698750 /nfs/dbraw/zinc/69/87/50/952698750.db2.gz YEUAWFZIMWEXOD-GFCCVEGCSA-N -1 1 380.412 1.089 20 0 GDADMM Cc1cnccc1C(=O)N[C@H]1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571156099 952701317 /nfs/dbraw/zinc/70/13/17/952701317.db2.gz CJINILPUNYVUNI-JSGCOSHPSA-N -1 1 379.428 1.371 20 0 GDADMM Cc1cnccc1C(=O)N[C@H]1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571156099 952701320 /nfs/dbraw/zinc/70/13/20/952701320.db2.gz CJINILPUNYVUNI-JSGCOSHPSA-N -1 1 379.428 1.371 20 0 GDADMM Cc1cc(C)nc(C(=O)NC2CCN(c3nccnc3-c3nnn[n-]3)CC2)c1 ZINC001571156668 952703555 /nfs/dbraw/zinc/70/35/55/952703555.db2.gz GQMRZYANUIJHLZ-UHFFFAOYSA-N -1 1 379.428 1.067 20 0 GDADMM Cc1cc(C)nc(C(=O)NC2CCN(c3nccnc3-c3nn[n-]n3)CC2)c1 ZINC001571156668 952703561 /nfs/dbraw/zinc/70/35/61/952703561.db2.gz GQMRZYANUIJHLZ-UHFFFAOYSA-N -1 1 379.428 1.067 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@H](NC(=O)[C@H](C)c3cccnc3)C2)n1 ZINC001571156697 952703946 /nfs/dbraw/zinc/70/39/46/952703946.db2.gz HEGHZJSCZNLZBQ-MRVWCRGKSA-N -1 1 379.428 1.223 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@H](NC(=O)[C@H](C)c3cccnc3)C2)n1 ZINC001571156697 952703950 /nfs/dbraw/zinc/70/39/50/952703950.db2.gz HEGHZJSCZNLZBQ-MRVWCRGKSA-N -1 1 379.428 1.223 20 0 GDADMM Cc1ccc(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nnn[n-]3)n2)o1 ZINC001571158253 952710300 /nfs/dbraw/zinc/71/03/00/952710300.db2.gz FWMLDUBHVJGBOQ-ZLDLUXBVSA-N -1 1 380.412 1.027 20 0 GDADMM Cc1ccc(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nn[n-]n3)n2)o1 ZINC001571158253 952710301 /nfs/dbraw/zinc/71/03/01/952710301.db2.gz FWMLDUBHVJGBOQ-ZLDLUXBVSA-N -1 1 380.412 1.027 20 0 GDADMM COc1ccccc1C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571158503 952712927 /nfs/dbraw/zinc/71/29/27/952712927.db2.gz JWEWOKUGAXLVGU-GFCCVEGCSA-N -1 1 380.412 1.064 20 0 GDADMM COc1ccccc1C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571158503 952712930 /nfs/dbraw/zinc/71/29/30/952712930.db2.gz JWEWOKUGAXLVGU-GFCCVEGCSA-N -1 1 380.412 1.064 20 0 GDADMM Cc1ccc(NC(=O)N(C)C)cc1NC(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001571159281 952718662 /nfs/dbraw/zinc/71/86/62/952718662.db2.gz TTXLLHRVUTWLOU-UHFFFAOYSA-N -1 1 380.412 1.845 20 0 GDADMM Cc1ccc(NC(=O)N(C)C)cc1NC(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001571159281 952718665 /nfs/dbraw/zinc/71/86/65/952718665.db2.gz TTXLLHRVUTWLOU-UHFFFAOYSA-N -1 1 380.412 1.845 20 0 GDADMM COc1ccc(C(=O)NC[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001571159513 952719958 /nfs/dbraw/zinc/71/99/58/952719958.db2.gz XDNJMDKCXKLLML-AULYBMBSSA-N -1 1 380.412 1.286 20 0 GDADMM COc1ccc(C(=O)NC[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571159513 952719963 /nfs/dbraw/zinc/71/99/63/952719963.db2.gz XDNJMDKCXKLLML-AULYBMBSSA-N -1 1 380.412 1.286 20 0 GDADMM Cc1ccncc1C(=O)N1CC[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571160325 952724810 /nfs/dbraw/zinc/72/48/10/952724810.db2.gz YKTCTOODDBRPHB-ZDUSSCGKSA-N -1 1 379.428 1.324 20 0 GDADMM Cc1ccncc1C(=O)N1CC[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571160325 952724816 /nfs/dbraw/zinc/72/48/16/952724816.db2.gz YKTCTOODDBRPHB-ZDUSSCGKSA-N -1 1 379.428 1.324 20 0 GDADMM Cc1cccc(C(=O)N[C@@H]2CC[C@@H](C)N(c3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571160340 952724932 /nfs/dbraw/zinc/72/49/32/952724932.db2.gz ZEORTZJSKNGCNT-CHWSQXEVSA-N -1 1 379.428 1.147 20 0 GDADMM Cc1cccc(C(=O)N[C@@H]2CC[C@@H](C)N(c3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571160340 952724935 /nfs/dbraw/zinc/72/49/35/952724935.db2.gz ZEORTZJSKNGCNT-CHWSQXEVSA-N -1 1 379.428 1.147 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)ccn1 ZINC001571160351 952726797 /nfs/dbraw/zinc/72/67/97/952726797.db2.gz ZIRAYYDWWACSJA-KGLIPLIRSA-N -1 1 379.428 1.371 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)ccn1 ZINC001571160351 952726803 /nfs/dbraw/zinc/72/68/03/952726803.db2.gz ZIRAYYDWWACSJA-KGLIPLIRSA-N -1 1 379.428 1.371 20 0 GDADMM O=C(N[C@@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nn1)CC2)[C@]12C[C@H]1CCC2 ZINC001571172192 952803081 /nfs/dbraw/zinc/80/30/81/952803081.db2.gz OWLKCAFMPBUJBQ-BBEGDGIKSA-N -1 1 380.456 1.322 20 0 GDADMM O=C(N[C@@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nn1)CC2)[C@]12C[C@H]1CCC2 ZINC001571172192 952803089 /nfs/dbraw/zinc/80/30/89/952803089.db2.gz OWLKCAFMPBUJBQ-BBEGDGIKSA-N -1 1 380.456 1.322 20 0 GDADMM O=C([C@H]1CC12CC2)N1CCC[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001571172130 952803351 /nfs/dbraw/zinc/80/33/51/952803351.db2.gz NKOQHRNSPTUIDI-FZKQIMNGSA-N -1 1 380.456 1.276 20 0 GDADMM O=C([C@H]1CC12CC2)N1CCC[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001571172130 952803354 /nfs/dbraw/zinc/80/33/54/952803354.db2.gz NKOQHRNSPTUIDI-FZKQIMNGSA-N -1 1 380.456 1.276 20 0 GDADMM O=C(c1cocn1)N1CCC(Nc2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001571172507 952806742 /nfs/dbraw/zinc/80/67/42/952806742.db2.gz VLNQSDKRVDWFDW-UHFFFAOYSA-N -1 1 380.821 1.681 20 0 GDADMM O=C(NC1CC(CNc2cnc(-c3nnn[n-]3)cn2)C1)c1cc(C2CC2)no1 ZINC001571175933 952826982 /nfs/dbraw/zinc/82/69/82/952826982.db2.gz IQLRQWPXZXQIKD-UHFFFAOYSA-N -1 1 381.400 1.143 20 0 GDADMM O=C(NC1CC(CNc2cnc(-c3nn[n-]n3)cn2)C1)c1cc(C2CC2)no1 ZINC001571175933 952826985 /nfs/dbraw/zinc/82/69/85/952826985.db2.gz IQLRQWPXZXQIKD-UHFFFAOYSA-N -1 1 381.400 1.143 20 0 GDADMM O=C(c1ncoc1C1CC1)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571178492 952841368 /nfs/dbraw/zinc/84/13/68/952841368.db2.gz KPTXTSSIDDGPQH-SNVBAGLBSA-N -1 1 381.400 1.096 20 0 GDADMM O=C(c1ncoc1C1CC1)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571178492 952841377 /nfs/dbraw/zinc/84/13/77/952841377.db2.gz KPTXTSSIDDGPQH-SNVBAGLBSA-N -1 1 381.400 1.096 20 0 GDADMM O=C(c1cc(C2CC2)no1)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571178680 952844165 /nfs/dbraw/zinc/84/41/65/952844165.db2.gz QVXIQBQCYKANQJ-NSHDSACASA-N -1 1 381.400 1.239 20 0 GDADMM O=C(c1cc(C2CC2)no1)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571178680 952844171 /nfs/dbraw/zinc/84/41/71/952844171.db2.gz QVXIQBQCYKANQJ-NSHDSACASA-N -1 1 381.400 1.239 20 0 GDADMM O=C(c1cnc(C2CC2)o1)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571178742 952846192 /nfs/dbraw/zinc/84/61/92/952846192.db2.gz SIXWSDIIUPBIGU-NSHDSACASA-N -1 1 381.400 1.239 20 0 GDADMM O=C(c1cnc(C2CC2)o1)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571178742 952846194 /nfs/dbraw/zinc/84/61/94/952846194.db2.gz SIXWSDIIUPBIGU-NSHDSACASA-N -1 1 381.400 1.239 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1)n1cccc1 ZINC001571181015 952863291 /nfs/dbraw/zinc/86/32/91/952863291.db2.gz SYOTVPBHCUCKAA-ZIAGYGMSSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1)n1cccc1 ZINC001571181015 952863296 /nfs/dbraw/zinc/86/32/96/952863296.db2.gz SYOTVPBHCUCKAA-ZIAGYGMSSA-N -1 1 381.444 1.512 20 0 GDADMM CCCc1[nH]ccc1C(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571183591 952880052 /nfs/dbraw/zinc/88/00/52/952880052.db2.gz FKCRDRWGDREQOX-BXUZGUMPSA-N -1 1 381.444 1.510 20 0 GDADMM CCCc1[nH]ccc1C(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571183591 952880055 /nfs/dbraw/zinc/88/00/55/952880055.db2.gz FKCRDRWGDREQOX-BXUZGUMPSA-N -1 1 381.444 1.510 20 0 GDADMM CCn1ccc(C(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)[C@H]2C)c1C ZINC001571184791 952896258 /nfs/dbraw/zinc/89/62/58/952896258.db2.gz DBQGKROWZXTULF-TZMCWYRMSA-N -1 1 381.444 1.502 20 0 GDADMM CCn1ccc(C(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)[C@H]2C)c1C ZINC001571184791 952896263 /nfs/dbraw/zinc/89/62/63/952896263.db2.gz DBQGKROWZXTULF-TZMCWYRMSA-N -1 1 381.444 1.502 20 0 GDADMM Cc1c[nH]cc1C(=O)N[C@H]1CCCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571184783 952896890 /nfs/dbraw/zinc/89/68/90/952896890.db2.gz DAKFILTZOKXEEQ-OCCSQVGLSA-N -1 1 381.444 1.694 20 0 GDADMM Cc1c[nH]cc1C(=O)N[C@H]1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571184783 952896898 /nfs/dbraw/zinc/89/68/98/952896898.db2.gz DAKFILTZOKXEEQ-OCCSQVGLSA-N -1 1 381.444 1.694 20 0 GDADMM CCn1cccc1C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C ZINC001571185331 952900989 /nfs/dbraw/zinc/90/09/89/952900989.db2.gz KVUMIQJTRFKTAB-CHWSQXEVSA-N -1 1 381.444 1.265 20 0 GDADMM CCn1cccc1C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C ZINC001571185331 952900994 /nfs/dbraw/zinc/90/09/94/952900994.db2.gz KVUMIQJTRFKTAB-CHWSQXEVSA-N -1 1 381.444 1.265 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)c3cccn3C)C[C@H]2C)n1 ZINC001571185693 952903206 /nfs/dbraw/zinc/90/32/06/952903206.db2.gz OKILHWKBZZJOLI-OLZOCXBDSA-N -1 1 381.444 1.091 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)c3cccn3C)C[C@H]2C)n1 ZINC001571185693 952903210 /nfs/dbraw/zinc/90/32/10/952903210.db2.gz OKILHWKBZZJOLI-OLZOCXBDSA-N -1 1 381.444 1.091 20 0 GDADMM Cc1c(C(=O)N2CC[C@@H]([C@@H](C)Nc3ccc(-c4nnn[n-]4)nn3)C2)ccn1C ZINC001571186621 952907839 /nfs/dbraw/zinc/90/78/39/952907839.db2.gz YSPNUSHLPQZWPM-DGCLKSJQSA-N -1 1 381.444 1.266 20 0 GDADMM Cc1c(C(=O)N2CC[C@@H]([C@@H](C)Nc3ccc(-c4nn[n-]n4)nn3)C2)ccn1C ZINC001571186621 952907841 /nfs/dbraw/zinc/90/78/41/952907841.db2.gz YSPNUSHLPQZWPM-DGCLKSJQSA-N -1 1 381.444 1.266 20 0 GDADMM Cc1cc(C)c(C(=O)N2C[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)[C@H](C)C2)[nH]1 ZINC001571188858 952920980 /nfs/dbraw/zinc/92/09/80/952920980.db2.gz OGIWKBQNZXDYHU-DGCLKSJQSA-N -1 1 381.444 1.422 20 0 GDADMM Cc1cc(C)c(C(=O)N2C[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)[C@H](C)C2)[nH]1 ZINC001571188858 952920983 /nfs/dbraw/zinc/92/09/83/952920983.db2.gz OGIWKBQNZXDYHU-DGCLKSJQSA-N -1 1 381.444 1.422 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)cc1F ZINC001571196346 952981478 /nfs/dbraw/zinc/98/14/78/952981478.db2.gz JDFWOLWDWCNEKI-ZDUSSCGKSA-N -1 1 382.403 1.821 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)cc1F ZINC001571196346 952981485 /nfs/dbraw/zinc/98/14/85/952981485.db2.gz JDFWOLWDWCNEKI-ZDUSSCGKSA-N -1 1 382.403 1.821 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(F)cc2)CC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571196806 952984504 /nfs/dbraw/zinc/98/45/04/952984504.db2.gz OIAQRUNOHWVWKU-BXUZGUMPSA-N -1 1 382.403 1.759 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(F)cc2)CC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571196806 952984508 /nfs/dbraw/zinc/98/45/08/952984508.db2.gz OIAQRUNOHWVWKU-BXUZGUMPSA-N -1 1 382.403 1.759 20 0 GDADMM Cc1c(F)cccc1C(=O)N1CC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001571197394 952990186 /nfs/dbraw/zinc/99/01/86/952990186.db2.gz YZWXCCXQGVQQKH-LBPRGKRZSA-N -1 1 382.403 1.455 20 0 GDADMM Cc1c(F)cccc1C(=O)N1CC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001571197394 952990192 /nfs/dbraw/zinc/99/01/92/952990192.db2.gz YZWXCCXQGVQQKH-LBPRGKRZSA-N -1 1 382.403 1.455 20 0 GDADMM CCc1occc1C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001571198979 952994793 /nfs/dbraw/zinc/99/47/93/952994793.db2.gz JJQRYQUIPZIXMB-WCQYABFASA-N -1 1 382.428 1.775 20 0 GDADMM CCc1occc1C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001571198979 952994796 /nfs/dbraw/zinc/99/47/96/952994796.db2.gz JJQRYQUIPZIXMB-WCQYABFASA-N -1 1 382.428 1.775 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CCCN(c3nc(C)cc(-c4nnn[n-]4)n3)CC2)o1 ZINC001571199240 952998395 /nfs/dbraw/zinc/99/83/95/952998395.db2.gz OCVVSLAODATTMG-ZDUSSCGKSA-N -1 1 382.428 1.655 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CCCN(c3nc(C)cc(-c4nn[n-]n4)n3)CC2)o1 ZINC001571199240 952998401 /nfs/dbraw/zinc/99/84/01/952998401.db2.gz OCVVSLAODATTMG-ZDUSSCGKSA-N -1 1 382.428 1.655 20 0 GDADMM CCc1nc(N[C@H]2C[C@H](CNC(=O)c3coc(C)c3)C2)cc(-c2nnn[n-]2)n1 ZINC001571199428 952998902 /nfs/dbraw/zinc/99/89/02/952998902.db2.gz QNKPFIJVUXNIHX-AULYBMBSSA-N -1 1 382.428 1.741 20 0 GDADMM CCc1nc(N[C@H]2C[C@H](CNC(=O)c3coc(C)c3)C2)cc(-c2nn[n-]n2)n1 ZINC001571199428 952998906 /nfs/dbraw/zinc/99/89/06/952998906.db2.gz QNKPFIJVUXNIHX-AULYBMBSSA-N -1 1 382.428 1.741 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CC[C@@H](C)N(c3ccc(-c4nnn[n-]4)nn3)C2)c(C)o1 ZINC001571200884 953013116 /nfs/dbraw/zinc/01/31/16/953013116.db2.gz HLELVKVGDATTOC-MFKMUULPSA-N -1 1 382.428 1.654 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CC[C@@H](C)N(c3ccc(-c4nn[n-]n4)nn3)C2)c(C)o1 ZINC001571200884 953013118 /nfs/dbraw/zinc/01/31/18/953013118.db2.gz HLELVKVGDATTOC-MFKMUULPSA-N -1 1 382.428 1.654 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571202099 953022779 /nfs/dbraw/zinc/02/27/79/953022779.db2.gz VGDIHICXFXETBC-CYBMUJFWSA-N -1 1 382.428 1.167 20 0 GDADMM CC(C)c1occc1C(=O)N1CC[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571202103 953023026 /nfs/dbraw/zinc/02/30/26/953023026.db2.gz VIPCYKRLZOGTJT-GFCCVEGCSA-N -1 1 382.428 1.724 20 0 GDADMM CC(C)c1occc1C(=O)N1CC[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571202103 953023029 /nfs/dbraw/zinc/02/30/29/953023029.db2.gz VIPCYKRLZOGTJT-GFCCVEGCSA-N -1 1 382.428 1.724 20 0 GDADMM Cc1ccoc1CC(=O)N1CCC(CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001571202395 953024314 /nfs/dbraw/zinc/02/43/14/953024314.db2.gz UIBUCNYUFSJNKA-UHFFFAOYSA-N -1 1 382.428 1.451 20 0 GDADMM Cc1ccoc1CC(=O)N1CCC(CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001571202395 953024318 /nfs/dbraw/zinc/02/43/18/953024318.db2.gz UIBUCNYUFSJNKA-UHFFFAOYSA-N -1 1 382.428 1.451 20 0 GDADMM Cc1occc1C(=O)N1C[C@@H](C)[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571205008 953034396 /nfs/dbraw/zinc/03/43/96/953034396.db2.gz FKWXTIWLBJTVDK-DGCLKSJQSA-N -1 1 382.428 1.190 20 0 GDADMM Cc1occc1C(=O)N1CCC(CN(C)c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571205054 953034434 /nfs/dbraw/zinc/03/44/34/953034434.db2.gz FYTOZUPGQDBMNN-UHFFFAOYSA-N -1 1 382.428 1.547 20 0 GDADMM Cc1occc1C(=O)N1CCC(CN(C)c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571205054 953034439 /nfs/dbraw/zinc/03/44/39/953034439.db2.gz FYTOZUPGQDBMNN-UHFFFAOYSA-N -1 1 382.428 1.547 20 0 GDADMM O=C(NC[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)CC1)c1ccco1 ZINC001571205788 953042937 /nfs/dbraw/zinc/04/29/37/953042937.db2.gz MBGAJJDVEVCKSL-JOCQHMNTSA-N -1 1 382.428 1.898 20 0 GDADMM O=C(NC[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)CC1)c1ccco1 ZINC001571205788 953042940 /nfs/dbraw/zinc/04/29/40/953042940.db2.gz MBGAJJDVEVCKSL-JOCQHMNTSA-N -1 1 382.428 1.898 20 0 GDADMM CC(C)n1nccc1C(=O)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571206028 953045815 /nfs/dbraw/zinc/04/58/15/953045815.db2.gz QYYUNNDSXPZZFK-GFCCVEGCSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1nccc1C(=O)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571206028 953045820 /nfs/dbraw/zinc/04/58/20/953045820.db2.gz QYYUNNDSXPZZFK-GFCCVEGCSA-N -1 1 382.432 1.151 20 0 GDADMM CCn1ccnc1C(=O)N[C@@H]1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571206082 953046723 /nfs/dbraw/zinc/04/67/23/953046723.db2.gz CYILMTGAUKDBBB-NWDGAFQWSA-N -1 1 382.432 1.026 20 0 GDADMM CCn1ccnc1C(=O)N[C@@H]1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571206082 953046726 /nfs/dbraw/zinc/04/67/26/953046726.db2.gz CYILMTGAUKDBBB-NWDGAFQWSA-N -1 1 382.432 1.026 20 0 GDADMM O=C(c1ccsc1)N1CC[C@H]2[C@H](CCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571209640 953065934 /nfs/dbraw/zinc/06/59/34/953065934.db2.gz ADPCGVCCRRGNTG-RISCZKNCSA-N -1 1 382.453 1.459 20 0 GDADMM O=C(c1ccsc1)N1CC[C@H]2[C@H](CCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571209640 953065939 /nfs/dbraw/zinc/06/59/39/953065939.db2.gz ADPCGVCCRRGNTG-RISCZKNCSA-N -1 1 382.453 1.459 20 0 GDADMM O=C(c1ccsc1)N1CCC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001571210189 953070093 /nfs/dbraw/zinc/07/00/93/953070093.db2.gz NRXXPGIAUPWMOL-SMDDNHRTSA-N -1 1 382.453 1.459 20 0 GDADMM O=C(c1ccsc1)N1CCC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571210189 953070096 /nfs/dbraw/zinc/07/00/96/953070096.db2.gz NRXXPGIAUPWMOL-SMDDNHRTSA-N -1 1 382.453 1.459 20 0 GDADMM C[C@@]1(NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571211752 953080297 /nfs/dbraw/zinc/08/02/97/953080297.db2.gz FCIVYARROVUILT-ZYKCCNLVSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H]1CC[C@@H](NC(=O)C(C2CC2)C2CC2)CN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571211733 953080367 /nfs/dbraw/zinc/08/03/67/953080367.db2.gz DPZUOJQLTISOGR-BXUZGUMPSA-N -1 1 382.472 1.566 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](C)[C@H](NC(=O)[C@@H]3CCCC34CC4)C2)n1 ZINC001571212255 953086344 /nfs/dbraw/zinc/08/63/44/953086344.db2.gz KDCPBKMVMMRCPZ-OSAQELSMSA-N -1 1 382.472 1.486 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](C)[C@H](NC(=O)[C@@H]3CCCC34CC4)C2)n1 ZINC001571212255 953086347 /nfs/dbraw/zinc/08/63/47/953086347.db2.gz KDCPBKMVMMRCPZ-OSAQELSMSA-N -1 1 382.472 1.486 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H]3CN(C(=O)CCC4CC4)CC[C@@H]32)n1 ZINC001571212296 953086977 /nfs/dbraw/zinc/08/69/77/953086977.db2.gz KZCCLMFQGWYSAZ-ZBFHGGJFSA-N -1 1 382.472 1.583 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H]3CN(C(=O)CCC4CC4)CC[C@@H]32)n1 ZINC001571212296 953086985 /nfs/dbraw/zinc/08/69/85/953086985.db2.gz KZCCLMFQGWYSAZ-ZBFHGGJFSA-N -1 1 382.472 1.583 20 0 GDADMM CN(C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CCC2)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571212457 953088063 /nfs/dbraw/zinc/08/80/63/953088063.db2.gz MAENUTWJTTVHBC-VHDGCEQUSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@]1(NC(=O)C2CCC3(CC3)CC2)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571212566 953089357 /nfs/dbraw/zinc/08/93/57/953089357.db2.gz NEVDWTAZRGWENM-GOSISDBHSA-N -1 1 382.472 1.712 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@@H]2CCCN(C(=O)[C@]34C[C@H]3CCC4)C2)n1 ZINC001571212853 953091486 /nfs/dbraw/zinc/09/14/86/953091486.db2.gz NPCHAFYQMZQMIW-PJIJBLCYSA-N -1 1 382.472 1.583 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@@H]2CCCN(C(=O)[C@]34C[C@H]3CCC4)C2)n1 ZINC001571212853 953091489 /nfs/dbraw/zinc/09/14/89/953091489.db2.gz NPCHAFYQMZQMIW-PJIJBLCYSA-N -1 1 382.472 1.583 20 0 GDADMM CN(c1nccnc1-c1nnn[n-]1)C1CCN(C(=O)C2=CCCCCC2)CC1 ZINC001571212905 953091575 /nfs/dbraw/zinc/09/15/75/953091575.db2.gz NZFFDEXYSOJTDW-UHFFFAOYSA-N -1 1 382.472 1.974 20 0 GDADMM CN(c1nccnc1-c1nn[n-]n1)C1CCN(C(=O)C2=CCCCCC2)CC1 ZINC001571212905 953091580 /nfs/dbraw/zinc/09/15/80/953091580.db2.gz NZFFDEXYSOJTDW-UHFFFAOYSA-N -1 1 382.472 1.974 20 0 GDADMM C[C@@H]1CN(C(=O)C2CC3(CCC3)C2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571212947 953091630 /nfs/dbraw/zinc/09/16/30/953091630.db2.gz OIPIWGQKOPQFLK-TZMCWYRMSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@@H]1CN(C(=O)C2CC3(CCC3)C2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571212947 953091633 /nfs/dbraw/zinc/09/16/33/953091633.db2.gz OIPIWGQKOPQFLK-TZMCWYRMSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@@]1(CNc2ccc(-c3nnn[n-]3)nn2)CCN(C(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001571212937 953091774 /nfs/dbraw/zinc/09/17/74/953091774.db2.gz OIFAZHOLLDZQIJ-NJSLBKSFSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@@]1(CNc2ccc(-c3nn[n-]n3)nn2)CCN(C(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001571212937 953091776 /nfs/dbraw/zinc/09/17/76/953091776.db2.gz OIFAZHOLLDZQIJ-NJSLBKSFSA-N -1 1 382.472 1.743 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H]3[C@@H]2CCCN3C(=O)C2CCCC2)n1 ZINC001571213238 953093419 /nfs/dbraw/zinc/09/34/19/953093419.db2.gz PYCGWPZZFQDFRL-JKSUJKDBSA-N -1 1 382.472 1.725 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H]3[C@@H]2CCCN3C(=O)C2CCCC2)n1 ZINC001571213238 953093424 /nfs/dbraw/zinc/09/34/24/953093424.db2.gz PYCGWPZZFQDFRL-JKSUJKDBSA-N -1 1 382.472 1.725 20 0 GDADMM CN(CC1CCN(C(=O)[C@H]2CC23CCC3)CC1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571213273 953094070 /nfs/dbraw/zinc/09/40/70/953094070.db2.gz QQTRXEDDEMAYLJ-CQSZACIVSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H]1C[C@@H](NC(=O)C(C2CC2)C2CC2)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571213600 953096264 /nfs/dbraw/zinc/09/62/64/953096264.db2.gz SDJOSBRLBPXMNY-RISCZKNCSA-N -1 1 382.472 1.566 20 0 GDADMM C[C@@H]1C[C@@H](NC(=O)C(C2CC2)C2CC2)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571213600 953096270 /nfs/dbraw/zinc/09/62/70/953096270.db2.gz SDJOSBRLBPXMNY-RISCZKNCSA-N -1 1 382.472 1.566 20 0 GDADMM CC1(C)[C@H](NC(=O)CC2CC2)[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)[C@H]21 ZINC001571214051 953099346 /nfs/dbraw/zinc/09/93/46/953099346.db2.gz VWWXBPWTTRWDQF-CSMYWGQOSA-N -1 1 382.472 1.566 20 0 GDADMM CC1(C)[C@H](NC(=O)CC2CC2)[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)[C@H]21 ZINC001571214051 953099351 /nfs/dbraw/zinc/09/93/51/953099351.db2.gz VWWXBPWTTRWDQF-CSMYWGQOSA-N -1 1 382.472 1.566 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)C[C@@H]2C)n1 ZINC001571214105 953099450 /nfs/dbraw/zinc/09/94/50/953099450.db2.gz WYIVHTGRFZFCDY-VNUKXSOBSA-N -1 1 382.472 1.518 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)C[C@@H]2C)n1 ZINC001571214105 953099454 /nfs/dbraw/zinc/09/94/54/953099454.db2.gz WYIVHTGRFZFCDY-VNUKXSOBSA-N -1 1 382.472 1.518 20 0 GDADMM CC1(CC(=O)N2C[C@@H]3CCC[C@H](Nc4nccnc4-c4nnn[n-]4)[C@H]3C2)CC1 ZINC001571214490 953102750 /nfs/dbraw/zinc/10/27/50/953102750.db2.gz ZWXKGOGGOVMEJB-IHRRRGAJSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(CC(=O)N2C[C@@H]3CCC[C@H](Nc4nccnc4-c4nn[n-]n4)[C@H]3C2)CC1 ZINC001571214490 953102755 /nfs/dbraw/zinc/10/27/55/953102755.db2.gz ZWXKGOGGOVMEJB-IHRRRGAJSA-N -1 1 382.472 1.886 20 0 GDADMM O=C(CCC1CC1)N1C[C@@H]2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@H]2C1 ZINC001571217292 953107081 /nfs/dbraw/zinc/10/70/81/953107081.db2.gz DVVOADHHCWTIRO-KKUMJFAQSA-N -1 1 382.472 1.886 20 0 GDADMM O=C(CCC1CC1)N1C[C@@H]2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@H]2C1 ZINC001571217292 953107088 /nfs/dbraw/zinc/10/70/88/953107088.db2.gz DVVOADHHCWTIRO-KKUMJFAQSA-N -1 1 382.472 1.886 20 0 GDADMM O=C(NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C1CC2(CCC2)C1 ZINC001571217305 953107094 /nfs/dbraw/zinc/10/70/94/953107094.db2.gz FCRWRXQYOVHRSH-UHFFFAOYSA-N -1 1 382.472 1.570 20 0 GDADMM O=C(c1cscn1)N1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001571217979 953111513 /nfs/dbraw/zinc/11/15/13/953111513.db2.gz JXAFNKWJEXKQBG-UHFFFAOYSA-N -1 1 382.862 1.396 20 0 GDADMM O=C(CC(C1CC1)C1CC1)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571218108 953112651 /nfs/dbraw/zinc/11/26/51/953112651.db2.gz LYPJDFVBPNCSJW-UHFFFAOYSA-N -1 1 382.472 1.886 20 0 GDADMM O=C(CC(C1CC1)C1CC1)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571218108 953112653 /nfs/dbraw/zinc/11/26/53/953112653.db2.gz LYPJDFVBPNCSJW-UHFFFAOYSA-N -1 1 382.472 1.886 20 0 GDADMM O=C([C@H]1CCCC12CC2)N1CC[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571218747 953118933 /nfs/dbraw/zinc/11/89/33/953118933.db2.gz PRPAFRMWWVRHCI-UONOGXRCSA-N -1 1 382.472 1.888 20 0 GDADMM O=C([C@H]1CCCC12CC2)N1CC[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571218747 953118939 /nfs/dbraw/zinc/11/89/39/953118939.db2.gz PRPAFRMWWVRHCI-UONOGXRCSA-N -1 1 382.472 1.888 20 0 GDADMM CC[C@@H]1CN(C(=O)c2cc(C)on2)CC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571222192 953132189 /nfs/dbraw/zinc/13/21/89/953132189.db2.gz DTXFXUCQEXDFMZ-VXGBXAGGSA-N -1 1 383.416 1.306 20 0 GDADMM CC[C@@H]1CN(C(=O)c2cc(C)on2)CC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571222192 953132195 /nfs/dbraw/zinc/13/21/95/953132195.db2.gz DTXFXUCQEXDFMZ-VXGBXAGGSA-N -1 1 383.416 1.306 20 0 GDADMM CC(C)(C)c1ocnc1C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571222570 953136147 /nfs/dbraw/zinc/13/61/47/953136147.db2.gz JNFAKZBNTUZSOQ-JTQLQIEISA-N -1 1 383.416 1.269 20 0 GDADMM CC(C)(C)c1ocnc1C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571222570 953136149 /nfs/dbraw/zinc/13/61/49/953136149.db2.gz JNFAKZBNTUZSOQ-JTQLQIEISA-N -1 1 383.416 1.269 20 0 GDADMM CC(C)c1cc(C(=O)N2CC[C@H](N(C)c3cncc(-c4nnn[n-]4)n3)C2)no1 ZINC001571222893 953139806 /nfs/dbraw/zinc/13/98/06/953139806.db2.gz MUZGSMNYKLZEAS-NSHDSACASA-N -1 1 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532310089 /nfs/dbraw/zinc/31/00/89/532310089.db2.gz FQJVQLULCQUCQA-DTORHVGOSA-N -1 1 382.214 1.663 20 0 GDADMM COC(=O)[C@@H](c1cccc(Br)c1)N1CCC(c2nc(=O)[n-][nH]2)CC1 ZINC000289578160 532328193 /nfs/dbraw/zinc/32/81/93/532328193.db2.gz YYJVBDNXWTVMDB-CYBMUJFWSA-N -1 1 395.257 1.954 20 0 GDADMM CCN(C(=O)[C@@H](C)Sc1nc(C(F)F)cc(=O)[n-]1)[C@@H]1CCS(=O)(=O)C1 ZINC000289615025 532329412 /nfs/dbraw/zinc/32/94/12/532329412.db2.gz UPYUCYPRQHKOGD-RKDXNWHRSA-N -1 1 395.453 1.636 20 0 GDADMM Cc1onc(N)c1S(=O)(=O)[N-]CCc1ccc(OCC(F)(F)F)nc1 ZINC000289852424 532333086 /nfs/dbraw/zinc/33/30/86/532333086.db2.gz MNOWMOOKHYDRSA-UHFFFAOYSA-N -1 1 380.348 1.422 20 0 GDADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)CC(C)(C)OC)c1ccc(OC)c(F)c1 ZINC000289864127 532333329 /nfs/dbraw/zinc/33/33/29/532333329.db2.gz NGZONBABXZBHSK-AWEZNQCLSA-N -1 1 377.434 1.783 20 0 GDADMM CCc1nc(COC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)no1 ZINC000736705055 598843717 /nfs/dbraw/zinc/84/37/17/598843717.db2.gz XEYQUMMPGMIRIZ-UHFFFAOYSA-N -1 1 397.399 1.148 20 0 GDADMM CCc1nc(COC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)no1 ZINC000736705055 598843719 /nfs/dbraw/zinc/84/37/19/598843719.db2.gz XEYQUMMPGMIRIZ-UHFFFAOYSA-N -1 1 397.399 1.148 20 0 GDADMM CNC(=O)CCCNC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000736871808 598890666 /nfs/dbraw/zinc/89/06/66/598890666.db2.gz ZAYQRKXNDQYYRC-UHFFFAOYSA-N -1 1 399.480 1.921 20 0 GDADMM COc1ccc(OC)c([C@H](O)CNc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000737109746 598937161 /nfs/dbraw/zinc/93/71/61/598937161.db2.gz UAABUHQUDLVFHR-OAHLLOKOSA-N -1 1 393.407 1.973 20 0 GDADMM COc1ccc(OC)c([C@H](O)CNc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000737109746 598937162 /nfs/dbraw/zinc/93/71/62/598937162.db2.gz UAABUHQUDLVFHR-OAHLLOKOSA-N -1 1 393.407 1.973 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1[C@@H](C)COC[C@@H]1C ZINC000737486283 598944507 /nfs/dbraw/zinc/94/45/07/598944507.db2.gz COWYRSPREJMYPI-QWRGUYRKSA-N -1 1 384.444 1.095 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1[C@@H](C)COC[C@@H]1C ZINC000737486283 598944508 /nfs/dbraw/zinc/94/45/08/598944508.db2.gz COWYRSPREJMYPI-QWRGUYRKSA-N -1 1 384.444 1.095 20 0 GDADMM Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1N1CCCS1(=O)=O ZINC000737358961 598945745 /nfs/dbraw/zinc/94/57/45/598945745.db2.gz CCQGPIRHDVQSOV-UHFFFAOYSA-N -1 1 399.436 1.362 20 0 GDADMM Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1N1CCCS1(=O)=O ZINC000737358961 598945747 /nfs/dbraw/zinc/94/57/47/598945747.db2.gz CCQGPIRHDVQSOV-UHFFFAOYSA-N -1 1 399.436 1.362 20 0 GDADMM COCCCNC(=O)C1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000736986756 598961412 /nfs/dbraw/zinc/96/14/12/598961412.db2.gz OHNAOTANNKOAAL-UHFFFAOYSA-N -1 1 396.455 1.179 20 0 GDADMM COCCCNC(=O)C1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000736986756 598961413 /nfs/dbraw/zinc/96/14/13/598961413.db2.gz OHNAOTANNKOAAL-UHFFFAOYSA-N -1 1 396.455 1.179 20 0 GDADMM NC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737760672 598995934 /nfs/dbraw/zinc/99/59/34/598995934.db2.gz PYNTWQGPAXMNRN-UHFFFAOYSA-N -1 1 392.423 1.603 20 0 GDADMM NC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737760672 598995936 /nfs/dbraw/zinc/99/59/36/598995936.db2.gz PYNTWQGPAXMNRN-UHFFFAOYSA-N -1 1 392.423 1.603 20 0 GDADMM COCCOC(=O)Nc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737007871 598997053 /nfs/dbraw/zinc/99/70/53/598997053.db2.gz YYXZYFLGMWJWQV-UHFFFAOYSA-N -1 1 383.368 1.709 20 0 GDADMM COCCOC(=O)Nc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737007871 598997054 /nfs/dbraw/zinc/99/70/54/598997054.db2.gz YYXZYFLGMWJWQV-UHFFFAOYSA-N -1 1 383.368 1.709 20 0 GDADMM Cc1ccccc1CC(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000737420250 599000045 /nfs/dbraw/zinc/00/00/45/599000045.db2.gz DXBCCGXXTHWYPX-UHFFFAOYSA-N -1 1 391.435 1.097 20 0 GDADMM Cc1ccccc1CC(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000737420250 599000047 /nfs/dbraw/zinc/00/00/47/599000047.db2.gz DXBCCGXXTHWYPX-UHFFFAOYSA-N -1 1 391.435 1.097 20 0 GDADMM CCOC(=O)CN(Cc1ccc(F)cc1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736596911 599000528 /nfs/dbraw/zinc/00/05/28/599000528.db2.gz VEXFYJQNOZGMJX-UHFFFAOYSA-N -1 1 384.371 1.606 20 0 GDADMM CCOC(=O)CN(Cc1ccc(F)cc1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736596911 599000529 /nfs/dbraw/zinc/00/05/29/599000529.db2.gz VEXFYJQNOZGMJX-UHFFFAOYSA-N -1 1 384.371 1.606 20 0 GDADMM Cc1nn(-c2ccccc2)c(COC(=O)C=Cc2cnccn2)c1-c1nn[n-]n1 ZINC000737504336 599015714 /nfs/dbraw/zinc/01/57/14/599015714.db2.gz UJGVUQJWTIZTQU-FPLPWBNLSA-N -1 1 388.391 1.907 20 0 GDADMM C[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000737172145 599018511 /nfs/dbraw/zinc/01/85/11/599018511.db2.gz GTFZWYJELLOBFA-XMMPIXPASA-N -1 1 377.451 1.546 20 0 GDADMM Cc1c(Cl)cccc1NC(=O)CCNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737215883 599028577 /nfs/dbraw/zinc/02/85/77/599028577.db2.gz NAPQSSHUEQLNHD-UHFFFAOYSA-N -1 1 385.815 1.982 20 0 GDADMM Cc1c(Cl)cccc1NC(=O)CCNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737215883 599028578 /nfs/dbraw/zinc/02/85/78/599028578.db2.gz NAPQSSHUEQLNHD-UHFFFAOYSA-N -1 1 385.815 1.982 20 0 GDADMM O=C(NC[C@H](O)c1ccc(OC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738036333 599110017 /nfs/dbraw/zinc/11/00/17/599110017.db2.gz ALJDBVVAGFXBEA-ZDUSSCGKSA-N -1 1 394.313 1.624 20 0 GDADMM O=C(NC[C@H](O)c1ccc(OC(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738036333 599110018 /nfs/dbraw/zinc/11/00/18/599110018.db2.gz ALJDBVVAGFXBEA-ZDUSSCGKSA-N -1 1 394.313 1.624 20 0 GDADMM C[C@@H](NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1Cl ZINC000736104259 599135958 /nfs/dbraw/zinc/13/59/58/599135958.db2.gz GBQNXZQWFRGBMI-SNVBAGLBSA-N -1 1 386.799 1.949 20 0 GDADMM C[C@@H](NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1Cl ZINC000736104259 599135960 /nfs/dbraw/zinc/13/59/60/599135960.db2.gz GBQNXZQWFRGBMI-SNVBAGLBSA-N -1 1 386.799 1.949 20 0 GDADMM CC(=O)Nc1cccc(NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000735489261 599138082 /nfs/dbraw/zinc/13/80/82/599138082.db2.gz XZYRYBQQZQOVCH-UHFFFAOYSA-N -1 1 381.352 1.016 20 0 GDADMM CC(=O)Nc1cccc(NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000735489261 599138086 /nfs/dbraw/zinc/13/80/86/599138086.db2.gz XZYRYBQQZQOVCH-UHFFFAOYSA-N -1 1 381.352 1.016 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCCOC1CCC1 ZINC000822459784 599197726 /nfs/dbraw/zinc/19/77/26/599197726.db2.gz WESRCBHDPYMETI-UHFFFAOYSA-N -1 1 384.444 1.144 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCCOC1CCC1 ZINC000822459784 599197728 /nfs/dbraw/zinc/19/77/28/599197728.db2.gz WESRCBHDPYMETI-UHFFFAOYSA-N -1 1 384.444 1.144 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)NCc2nnnn2C2CC2)c1-c1nn[n-]n1 ZINC000821988829 599202076 /nfs/dbraw/zinc/20/20/76/599202076.db2.gz HRRMUEQVLDMJGJ-UHFFFAOYSA-N -1 1 398.456 1.112 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@@H](C)[C@H]1CCOC1 ZINC000737488858 599208961 /nfs/dbraw/zinc/20/89/61/599208961.db2.gz YTGBYNMZEARLDC-GWCFXTLKSA-N -1 1 384.444 1.000 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@@H](C)[C@H]1CCOC1 ZINC000737488858 599208962 /nfs/dbraw/zinc/20/89/62/599208962.db2.gz YTGBYNMZEARLDC-GWCFXTLKSA-N -1 1 384.444 1.000 20 0 GDADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1nc(-c2cccc(F)c2)no1 ZINC000820392651 599213110 /nfs/dbraw/zinc/21/31/10/599213110.db2.gz YASICEJRNNRYIL-SECBINFHSA-N -1 1 380.343 1.942 20 0 GDADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1nc(-c2cccc(F)c2)no1 ZINC000820392651 599213112 /nfs/dbraw/zinc/21/31/12/599213112.db2.gz YASICEJRNNRYIL-SECBINFHSA-N -1 1 380.343 1.942 20 0 GDADMM CCOC(=O)C1=C(CN(C)CC(=O)[O-])NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000739467741 596907455 /nfs/dbraw/zinc/90/74/55/596907455.db2.gz GQSMJCCYUCYDPL-OAHLLOKOSA-N -1 1 381.816 1.528 20 0 GDADMM CCOC(=O)C1C(CN(C)CC(=O)[O-])=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000739467741 596907460 /nfs/dbraw/zinc/90/74/60/596907460.db2.gz GQSMJCCYUCYDPL-OAHLLOKOSA-N -1 1 381.816 1.528 20 0 GDADMM COc1ccc(C[C@]2(C)NC(=O)N(CN3CCC[C@H](CC(=O)[O-])C3)C2=O)cc1 ZINC000818585341 597046964 /nfs/dbraw/zinc/04/69/64/597046964.db2.gz YPUDVALDDMBXJY-QRWLVFNGSA-N -1 1 389.452 1.692 20 0 GDADMM Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2CCC[C@H](CC(=O)[O-])C2)c1C ZINC000818853258 597073518 /nfs/dbraw/zinc/07/35/18/597073518.db2.gz VRYUASJJLOAUII-CYBMUJFWSA-N -1 1 383.470 1.076 20 0 GDADMM NS(=O)(=O)c1ccc(N2CCN(Cc3ccc(C(=O)[O-])cc3)CC2)cc1 ZINC000821363970 597345210 /nfs/dbraw/zinc/34/52/10/597345210.db2.gz KOKBPHIDRLPDEL-UHFFFAOYSA-N -1 1 375.450 1.354 20 0 GDADMM O=C(C1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1)N1CCOCC1 ZINC000737792232 599258656 /nfs/dbraw/zinc/25/86/56/599258656.db2.gz NUNGJJLWUMXTHW-UHFFFAOYSA-N -1 1 393.451 1.490 20 0 GDADMM O=C(C1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1)N1CCOCC1 ZINC000737792232 599258659 /nfs/dbraw/zinc/25/86/59/599258659.db2.gz NUNGJJLWUMXTHW-UHFFFAOYSA-N -1 1 393.451 1.490 20 0 GDADMM O=C(c1cccc(NCc2ccc(-c3nnn[n-]3)o2)c1)N1CCC(CO)CC1 ZINC000823493984 607315404 /nfs/dbraw/zinc/31/54/04/607315404.db2.gz YZEKRACVVRALET-UHFFFAOYSA-N -1 1 382.424 1.916 20 0 GDADMM O=C(c1cccc(NCc2ccc(-c3nn[n-]n3)o2)c1)N1CCC(CO)CC1 ZINC000823493984 607315405 /nfs/dbraw/zinc/31/54/05/607315405.db2.gz YZEKRACVVRALET-UHFFFAOYSA-N -1 1 382.424 1.916 20 0 GDADMM C[C@H](NC(=O)C(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1)C(=O)[O-] ZINC000818023150 597519557 /nfs/dbraw/zinc/51/95/57/597519557.db2.gz UBOKKSBCADLDLB-ZDUSSCGKSA-N -1 1 390.440 1.029 20 0 GDADMM CC[C@@H](C)NC(=O)CN1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000736323240 599266335 /nfs/dbraw/zinc/26/63/35/599266335.db2.gz CWIYEICYPRJNEI-CQSZACIVSA-N -1 1 394.483 1.452 20 0 GDADMM CN(Cc1ccn(-c2ccccc2)n1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736830581 598267068 /nfs/dbraw/zinc/26/70/68/598267068.db2.gz XKBIPNRNRSUINM-UHFFFAOYSA-N -1 1 396.436 1.268 20 0 GDADMM CN(Cc1ccn(-c2ccccc2)n1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736830581 598267069 /nfs/dbraw/zinc/26/70/69/598267069.db2.gz XKBIPNRNRSUINM-UHFFFAOYSA-N -1 1 396.436 1.268 20 0 GDADMM O=S(=O)(N[C@@H]1CCCOc2ccc(F)cc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000738341884 598267735 /nfs/dbraw/zinc/26/77/35/598267735.db2.gz HOHGCLZUBCCLJY-CYBMUJFWSA-N -1 1 390.400 1.593 20 0 GDADMM O=S(=O)(N[C@@H]1CCCOc2ccc(F)cc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000738341884 598267737 /nfs/dbraw/zinc/26/77/37/598267737.db2.gz HOHGCLZUBCCLJY-CYBMUJFWSA-N -1 1 390.400 1.593 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCc1ncc(Cl)n1C ZINC000737200239 598333164 /nfs/dbraw/zinc/33/31/64/598333164.db2.gz KQXOJIDYHKYQFT-UHFFFAOYSA-N -1 1 390.835 1.220 20 0 GDADMM Cc1cccc(C)c1NC(=O)CN1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000737388898 598337618 /nfs/dbraw/zinc/33/76/18/598337618.db2.gz GSFXGPYQNPICFO-UHFFFAOYSA-N -1 1 393.455 1.034 20 0 GDADMM Cc1cccc(C)c1NC(=O)CN1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000737388898 598337620 /nfs/dbraw/zinc/33/76/20/598337620.db2.gz GSFXGPYQNPICFO-UHFFFAOYSA-N -1 1 393.455 1.034 20 0 GDADMM Cn1c(Sc2nccnc2-c2nn[n-]n2)nnc1[C@@H]1COc2ccccc2O1 ZINC000737592137 598339618 /nfs/dbraw/zinc/33/96/18/598339618.db2.gz KFSILQOWBIBFDD-NSHDSACASA-N -1 1 395.408 1.449 20 0 GDADMM COc1ccc(-c2nc(Sc3nccnc3-c3nn[n-]n3)n[nH]2)c(OC)c1 ZINC000737055368 598348271 /nfs/dbraw/zinc/34/82/71/598348271.db2.gz DWIKUHHRMWHVCR-UHFFFAOYSA-N -1 1 383.397 1.610 20 0 GDADMM CCc1nc(CCNC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)cs1 ZINC000736700952 598359666 /nfs/dbraw/zinc/35/96/66/598359666.db2.gz WGBLUVSUFNLNTC-UHFFFAOYSA-N -1 1 391.482 1.681 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCCCc1cnn(C)c1 ZINC000737549684 598367262 /nfs/dbraw/zinc/36/72/62/598367262.db2.gz XCFUKXPZXYPJQX-UHFFFAOYSA-N -1 1 380.412 1.655 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCCc1cnn(C)c1 ZINC000737549684 598367264 /nfs/dbraw/zinc/36/72/64/598367264.db2.gz XCFUKXPZXYPJQX-UHFFFAOYSA-N -1 1 380.412 1.655 20 0 GDADMM c1nc2c(c(N3CCN(c4oc(C5CC5)nc4-c4nn[n-]n4)CC3)n1)CCC2 ZINC000738452575 598378084 /nfs/dbraw/zinc/37/80/84/598378084.db2.gz QBUGKRMQGAJYFH-UHFFFAOYSA-N -1 1 379.428 1.337 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@H]2CCN(c3ccccc3)C2)cc1-c1nn[n-]n1 ZINC000737187470 598410730 /nfs/dbraw/zinc/41/07/30/598410730.db2.gz RVEAZKRXQKJKPI-NSHDSACASA-N -1 1 397.464 1.698 20 0 GDADMM Cc1nc2n(n1)C[C@@H](NC(=O)c1c(C)oc(-n3cccc3)c1-c1nnn[n-]1)CC2 ZINC000737490853 598419168 /nfs/dbraw/zinc/41/91/68/598419168.db2.gz YDPOODNPLGPKLC-LBPRGKRZSA-N -1 1 393.411 1.204 20 0 GDADMM Cc1nc2n(n1)C[C@@H](NC(=O)c1c(C)oc(-n3cccc3)c1-c1nn[n-]n1)CC2 ZINC000737490853 598419169 /nfs/dbraw/zinc/41/91/69/598419169.db2.gz YDPOODNPLGPKLC-LBPRGKRZSA-N -1 1 393.411 1.204 20 0 GDADMM CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)n1ncc(-c3nn[n-]n3)c1N)O[C@@H](C)C2 ZINC000736636106 598430097 /nfs/dbraw/zinc/43/00/97/598430097.db2.gz NZPMGEMQTDJVLU-XHVZSJERSA-N -1 1 395.423 1.811 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccnc(-c2ccccc2)n1 ZINC000736798366 598507531 /nfs/dbraw/zinc/50/75/31/598507531.db2.gz XIBBBJOEWWLFBZ-UHFFFAOYSA-N -1 1 376.428 1.698 20 0 GDADMM Cc1nc(-c2ccccn2)nc(NCCCc2[nH]nc(N)c2-c2nnn[n-]2)c1C ZINC000737464058 598592366 /nfs/dbraw/zinc/59/23/66/598592366.db2.gz CXRBMDNTCVYQMG-UHFFFAOYSA-N -1 1 391.443 1.686 20 0 GDADMM Cc1nc(-c2ccccn2)nc(NCCCc2[nH]nc(N)c2-c2nn[n-]n2)c1C ZINC000737464058 598592367 /nfs/dbraw/zinc/59/23/67/598592367.db2.gz CXRBMDNTCVYQMG-UHFFFAOYSA-N -1 1 391.443 1.686 20 0 GDADMM O=S(=O)(NCC1(Sc2ccccc2)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738342936 598597339 /nfs/dbraw/zinc/59/73/39/598597339.db2.gz NNRAZHQWFMDWJB-UHFFFAOYSA-N -1 1 388.478 1.865 20 0 GDADMM O=S(=O)(NCC1(Sc2ccccc2)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738342936 598597341 /nfs/dbraw/zinc/59/73/41/598597341.db2.gz NNRAZHQWFMDWJB-UHFFFAOYSA-N -1 1 388.478 1.865 20 0 GDADMM CCc1nn(CC(=O)NCc2ccccc2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706153 598640461 /nfs/dbraw/zinc/64/04/61/598640461.db2.gz UTXXBWUWKKDQKC-UHFFFAOYSA-N -1 1 381.440 1.173 20 0 GDADMM CCc1nn(CC(=O)N2CCC[C@@H]3CCCC[C@H]32)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705952 598642253 /nfs/dbraw/zinc/64/22/53/598642253.db2.gz QLWLECFTFXZVJY-XJKSGUPXSA-N -1 1 399.499 1.729 20 0 GDADMM O=C(NC[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)Nc1cccc(F)c1 ZINC000738049856 598672981 /nfs/dbraw/zinc/67/29/81/598672981.db2.gz LTIOKZWXTYZHIA-LBPRGKRZSA-N -1 1 397.418 1.834 20 0 GDADMM O=C(NC[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)Nc1cccc(F)c1 ZINC000738049856 598672982 /nfs/dbraw/zinc/67/29/82/598672982.db2.gz LTIOKZWXTYZHIA-LBPRGKRZSA-N -1 1 397.418 1.834 20 0 GDADMM Cc1cc(C(=O)Cn2cccc(-c3nn[n-]n3)c2=O)c(C)n1CC(F)(F)F ZINC000737228161 598675809 /nfs/dbraw/zinc/67/58/09/598675809.db2.gz VZXGRCMTHGQMGZ-UHFFFAOYSA-N -1 1 380.330 1.892 20 0 GDADMM CCOC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736590818 598686243 /nfs/dbraw/zinc/68/62/43/598686243.db2.gz LMPUIZHXFNBDEK-ZDUSSCGKSA-N -1 1 383.405 1.112 20 0 GDADMM CCOc1cc(C=O)ccc1OS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736625689 598687335 /nfs/dbraw/zinc/68/73/35/598687335.db2.gz NTZAGRDRCOFYLI-UHFFFAOYSA-N -1 1 392.368 1.985 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCc3c2cccc3O)cc1-c1nn[n-]n1 ZINC000737186626 598720097 /nfs/dbraw/zinc/72/00/97/598720097.db2.gz KGQVDKDORNMLAS-GFCCVEGCSA-N -1 1 384.421 1.812 20 0 GDADMM Cn1c2ccccc2nc(Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)c1=O ZINC000737592169 598720141 /nfs/dbraw/zinc/72/01/41/598720141.db2.gz YLBMEHBZZXALIV-UHFFFAOYSA-N -1 1 385.387 1.477 20 0 GDADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)c1ccc2c(c1)OCO2 ZINC000737983754 598721621 /nfs/dbraw/zinc/72/16/21/598721621.db2.gz ZFWYIWZGYZJLIF-UHFFFAOYSA-N -1 1 375.344 1.793 20 0 GDADMM C[C@H]1CN(CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)CCS1 ZINC000736289259 598766564 /nfs/dbraw/zinc/76/65/64/598766564.db2.gz VFVJRCZPVDIAMX-LBPRGKRZSA-N -1 1 384.469 1.428 20 0 GDADMM Cc1csc(C2(NS(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)CCCC2)n1 ZINC000737455389 598796969 /nfs/dbraw/zinc/79/69/69/598796969.db2.gz PXFGHMABXZBGAN-UHFFFAOYSA-N -1 1 391.482 1.774 20 0 GDADMM Cc1csc(C2(NS(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)CCCC2)n1 ZINC000737455389 598796971 /nfs/dbraw/zinc/79/69/71/598796971.db2.gz PXFGHMABXZBGAN-UHFFFAOYSA-N -1 1 391.482 1.774 20 0 GDADMM Cn1cccc1[C@H]1CCCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000822693455 599336143 /nfs/dbraw/zinc/33/61/43/599336143.db2.gz FIMSSPKBZLJETO-CYBMUJFWSA-N -1 1 376.417 1.870 20 0 GDADMM Cn1cccc1[C@H]1CCCN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000822693455 599336145 /nfs/dbraw/zinc/33/61/45/599336145.db2.gz FIMSSPKBZLJETO-CYBMUJFWSA-N -1 1 376.417 1.870 20 0 GDADMM CN1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)Cc2ccccc21 ZINC000821628730 599343085 /nfs/dbraw/zinc/34/30/85/599343085.db2.gz OZIOQYDOFHVDNE-UHFFFAOYSA-N -1 1 388.428 1.647 20 0 GDADMM CN1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)Cc2ccccc21 ZINC000821628730 599343089 /nfs/dbraw/zinc/34/30/89/599343089.db2.gz OZIOQYDOFHVDNE-UHFFFAOYSA-N -1 1 388.428 1.647 20 0 GDADMM CC[C@](C)(NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1nc(C)cs1 ZINC000820854493 599349293 /nfs/dbraw/zinc/34/92/93/599349293.db2.gz WFHUQXINSJAABA-AWEZNQCLSA-N -1 1 379.471 1.630 20 0 GDADMM CC[C@](C)(NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1nc(C)cs1 ZINC000820854493 599349296 /nfs/dbraw/zinc/34/92/96/599349296.db2.gz WFHUQXINSJAABA-AWEZNQCLSA-N -1 1 379.471 1.630 20 0 GDADMM COc1cc(OC)cc(C(=O)N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)c1 ZINC000737051919 599405284 /nfs/dbraw/zinc/40/52/84/599405284.db2.gz MCTQSDNSLLDIHE-UHFFFAOYSA-N -1 1 395.423 1.241 20 0 GDADMM COc1cc(OC)cc(C(=O)N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)c1 ZINC000737051919 599405286 /nfs/dbraw/zinc/40/52/86/599405286.db2.gz MCTQSDNSLLDIHE-UHFFFAOYSA-N -1 1 395.423 1.241 20 0 GDADMM Cc1cccc(O[C@@H](C)C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)CC2)c1 ZINC000737400388 599472191 /nfs/dbraw/zinc/47/21/91/599472191.db2.gz AZXPFEGIFTUSQE-AWEZNQCLSA-N -1 1 394.439 1.081 20 0 GDADMM Cc1cccc(O[C@@H](C)C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)CC2)c1 ZINC000737400388 599472193 /nfs/dbraw/zinc/47/21/93/599472193.db2.gz AZXPFEGIFTUSQE-AWEZNQCLSA-N -1 1 394.439 1.081 20 0 GDADMM O=C(NCC1CCN(C(=O)c2ccccc2)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738050554 599561024 /nfs/dbraw/zinc/56/10/24/599561024.db2.gz RJMTUKKOPPPPDA-UHFFFAOYSA-N -1 1 391.435 1.544 20 0 GDADMM O=C(NCC1CCN(C(=O)c2ccccc2)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738050554 599561027 /nfs/dbraw/zinc/56/10/27/599561027.db2.gz RJMTUKKOPPPPDA-UHFFFAOYSA-N -1 1 391.435 1.544 20 0 GDADMM C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)[C@@H](C)CO1 ZINC000736289403 599593241 /nfs/dbraw/zinc/59/32/41/599593241.db2.gz LIHSZOVUWOWFLV-IUCAKERBSA-N -1 1 391.375 1.683 20 0 GDADMM Cc1oc(NC(=O)CN2CC(=O)N(C(C)C)C(C)(C)C2)c(-c2nn[n-]n2)c1C ZINC000822548784 599643327 /nfs/dbraw/zinc/64/33/27/599643327.db2.gz NVZPMBDJPQUEDL-UHFFFAOYSA-N -1 1 389.460 1.346 20 0 GDADMM CO[C@@H](CNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)C(C)(C)C ZINC000821675044 599654736 /nfs/dbraw/zinc/65/47/36/599654736.db2.gz BQFGZIMNUGMCBS-ZDUSSCGKSA-N -1 1 376.461 1.694 20 0 GDADMM Cc1[nH]c(C(=O)[C@@H](C)N2CCC(N3CCC[C@H]3C(N)=O)CC2)c(C)c1C(=O)[O-] ZINC000738236195 599712258 /nfs/dbraw/zinc/71/22/58/599712258.db2.gz LZYLTXGIYJANEP-HIFRSBDPSA-N -1 1 390.484 1.315 20 0 GDADMM COC(=O)[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1)c1cc(F)ccc1F ZINC000737575034 599761392 /nfs/dbraw/zinc/76/13/92/599761392.db2.gz ALTIHRWYSMIYCG-AWEZNQCLSA-N -1 1 385.344 1.856 20 0 GDADMM C[C@@H](C(=O)NCC(=O)[O-])N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000736209303 599770062 /nfs/dbraw/zinc/77/00/62/599770062.db2.gz SAOPHEWXRAYCCD-ZDUSSCGKSA-N -1 1 387.402 1.802 20 0 GDADMM COc1ccc(CNC(=O)[C@@H](C)NC(=O)c2n[nH]c3ccccc32)cc1C(=O)[O-] ZINC000737997648 599799588 /nfs/dbraw/zinc/79/95/88/599799588.db2.gz QYEMCODDZDQKNW-LLVKDONJSA-N -1 1 396.403 1.704 20 0 GDADMM O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)cc2)[n-]1 ZINC000739877111 599818273 /nfs/dbraw/zinc/81/82/73/599818273.db2.gz LMBUSZLPSFDJBI-GOSISDBHSA-N -1 1 398.463 1.493 20 0 GDADMM CNC(=O)CCOc1ccc(NS(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])cc1 ZINC000737536099 599854995 /nfs/dbraw/zinc/85/49/95/599854995.db2.gz CZRVFNAOJTVPHC-UHFFFAOYSA-N -1 1 396.421 1.910 20 0 GDADMM CNC(=O)COc1ccc(NS(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])cc1 ZINC000737540955 599855019 /nfs/dbraw/zinc/85/50/19/599855019.db2.gz RUXAMPQAHIEQFI-UHFFFAOYSA-N -1 1 382.394 1.520 20 0 GDADMM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)CCn1c(=O)c2ccccc2[nH]c1=S 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C[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)N1CCC(CCC(=O)[O-])CC1 ZINC000662218487 601844104 /nfs/dbraw/zinc/84/41/04/601844104.db2.gz PCVWOMFEKHEABZ-HOCLYGCPSA-N -1 1 376.453 1.908 20 0 GDADMM Cc1nc(C(=O)N(CC(=O)[O-])C2CCCC2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000621574140 601871424 /nfs/dbraw/zinc/87/14/24/601871424.db2.gz FVXXERZNPUCSIN-UHFFFAOYSA-N -1 1 387.322 1.182 20 0 GDADMM COC(=O)[C@@]1(C)CCN(CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])C1 ZINC000831089538 601917677 /nfs/dbraw/zinc/91/76/77/601917677.db2.gz OHYLXOZOECBIDG-UZLBHIALSA-N -1 1 387.436 1.165 20 0 GDADMM Cc1cc(=O)n2nc(CN3CCCC[C@@H]3[C@H]3CCCN3C(=O)[O-])sc2n1 ZINC000740054249 601927254 /nfs/dbraw/zinc/92/72/54/601927254.db2.gz JZLVQIWAYFYPMT-CHWSQXEVSA-N -1 1 377.470 1.956 20 0 GDADMM Cc1nn(C)c(Cl)c1CN1CCC[C@@H](C(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000740244653 601970335 /nfs/dbraw/zinc/97/03/35/601970335.db2.gz DCJUCSQTCGJPEK-CYBMUJFWSA-N -1 1 383.880 1.416 20 0 GDADMM O=C([O-])NC1(C(=O)OCC2=Nc3ccccc3S(=O)(=O)N2)CCCCC1 ZINC000740544514 601971243 /nfs/dbraw/zinc/97/12/43/601971243.db2.gz IXXPZNVTOJYKTE-UHFFFAOYSA-N -1 1 381.410 1.522 20 0 GDADMM O=S(=O)(Cc1nc(-c2ccsc2)no1)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826486927 607536819 /nfs/dbraw/zinc/53/68/19/607536819.db2.gz XHWVSXCYOZVKRO-UHFFFAOYSA-N -1 1 389.422 1.488 20 0 GDADMM O=S(=O)(Cc1nc(-c2ccsc2)no1)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826486927 607536820 /nfs/dbraw/zinc/53/68/20/607536820.db2.gz XHWVSXCYOZVKRO-UHFFFAOYSA-N -1 1 389.422 1.488 20 0 GDADMM CC(C)[C@H](OC(=O)[C@H]1CCCc2[nH]ncc21)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000826717301 602016673 /nfs/dbraw/zinc/01/66/73/602016673.db2.gz PSJYWABMRYVONP-BBRMVZONSA-N -1 1 377.441 1.721 20 0 GDADMM NS(=O)(=O)NC[C@H]1CCCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000833088638 602039042 /nfs/dbraw/zinc/03/90/42/602039042.db2.gz RKXYZQKDSAPBOU-RNCFNFMXSA-N -1 1 396.296 1.624 20 0 GDADMM O=C([O-])Nc1ccc(NC(=O)C(=O)NC2CCN(Cc3ccncc3)CC2)cn1 ZINC000740707500 602089639 /nfs/dbraw/zinc/08/96/39/602089639.db2.gz OMFYJKQRQTZBAU-UHFFFAOYSA-N -1 1 398.423 1.286 20 0 GDADMM O=C([O-])Cc1cccc(NC(=O)C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)c1 ZINC000738621086 602129809 /nfs/dbraw/zinc/12/98/09/602129809.db2.gz NTXTZGJXSUMDSY-UHFFFAOYSA-N -1 1 397.366 1.493 20 0 GDADMM O=C([O-])Cc1cccc(NC(=O)C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)c1 ZINC000738621086 602129813 /nfs/dbraw/zinc/12/98/13/602129813.db2.gz NTXTZGJXSUMDSY-UHFFFAOYSA-N -1 1 397.366 1.493 20 0 GDADMM COc1cc(OC)cc([C@@H](NCc2ccc(S(N)(=O)=O)cc2)C(=O)[O-])c1 ZINC000832057316 602164005 /nfs/dbraw/zinc/16/40/05/602164005.db2.gz ODKCSOKJVZHZIG-MRXNPFEDSA-N -1 1 380.422 1.267 20 0 GDADMM Cn1cc(NC(=O)N[C@@H](CN2CCN(C)CC2)c2ccccc2)cc1C(=O)[O-] ZINC000830949781 602360843 /nfs/dbraw/zinc/36/08/43/602360843.db2.gz GIQBNQBWRXLTCG-KRWDZBQOSA-N -1 1 385.468 1.834 20 0 GDADMM CN(CC1CCN(C(=O)c2ccc3c(c2)[nH]c(=S)n(C)c3=O)CC1)C(=O)[O-] ZINC000739656065 602369046 /nfs/dbraw/zinc/36/90/46/602369046.db2.gz JZHHORWTPCFTQZ-UHFFFAOYSA-N -1 1 390.465 1.684 20 0 GDADMM CN(CC1CCN([C@@H]2CC(=O)N(CCc3ccccc3F)C2=O)CC1)C(=O)[O-] ZINC000739662043 602390871 /nfs/dbraw/zinc/39/08/71/602390871.db2.gz YOEYQWAQXRAJKA-QGZVFWFLSA-N -1 1 391.443 1.818 20 0 GDADMM Cn1c(=O)c2ccc(C(=O)NCC[C@@H]3CCN(C(=O)[O-])C3)cc2[nH]c1=S ZINC000740282330 602419570 /nfs/dbraw/zinc/41/95/70/602419570.db2.gz DCTLOSFNZGEPDP-SNVBAGLBSA-N -1 1 376.438 1.342 20 0 GDADMM C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C[C@@H]3CCCN(C(=O)[O-])C3)CC2)C1 ZINC000739074081 602450791 /nfs/dbraw/zinc/45/07/91/602450791.db2.gz HOSMHKPSGKJPIO-KSZLIROESA-N -1 1 380.533 1.499 20 0 GDADMM CN1CCN(c2ccc(CNC(=O)c3ccc(F)c(NC(=O)[O-])c3)cn2)CC1 ZINC000739736393 602495835 /nfs/dbraw/zinc/49/58/35/602495835.db2.gz MNLBPMCAHKXQLE-UHFFFAOYSA-N -1 1 387.415 1.992 20 0 GDADMM O=C([O-])NCC1(NC(=O)CCn2c(=O)c3ccccc3[nH]c2=S)CCCC1 ZINC000740616328 602518809 /nfs/dbraw/zinc/51/88/09/602518809.db2.gz WMHNUPSOAFYZNB-UHFFFAOYSA-N -1 1 390.465 1.772 20 0 GDADMM C[C@H](NC(=O)[O-])C1CCN(CC(=O)N2CCC(C(=O)N3CCCC3)CC2)CC1 ZINC000739030111 602530850 /nfs/dbraw/zinc/53/08/50/602530850.db2.gz YNPPFKISTFOUHO-HNNXBMFYSA-N -1 1 394.516 1.216 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000738626476 602531883 /nfs/dbraw/zinc/53/18/83/602531883.db2.gz UWUHPIPKVYJTGF-RBSFLKMASA-N -1 1 377.441 1.263 20 0 GDADMM CC(C)(O)CN1CCN(C(=O)Nc2ccc3c(c2)CN(C(=O)[O-])CC3)CC1 ZINC000738757404 602610001 /nfs/dbraw/zinc/61/00/01/602610001.db2.gz HADDFYPQLIMSNF-UHFFFAOYSA-N -1 1 376.457 1.643 20 0 GDADMM CCN1CCN(c2ccc(CNC(=O)N(C)[C@@H](C)CNC(=O)[O-])cn2)CC1 ZINC000739454704 602615077 /nfs/dbraw/zinc/61/50/77/602615077.db2.gz GIOIEFZDWGYVIZ-AWEZNQCLSA-N -1 1 378.477 1.021 20 0 GDADMM CN1C(=O)c2ccc(S(=O)(=O)Nc3ccccc3NC(=O)[O-])cc2C1=O ZINC000739723344 602652937 /nfs/dbraw/zinc/65/29/37/602652937.db2.gz LFMUOMDSXKNSJP-UHFFFAOYSA-N -1 1 375.362 1.803 20 0 GDADMM COc1cccc([C@@H](CNC(=O)NCC[C@@H]2CCN(C(=O)[O-])C2)N(C)C)c1 ZINC000739946632 602692525 /nfs/dbraw/zinc/69/25/25/602692525.db2.gz VZTHDPNWXBSTHI-RHSMWYFYSA-N -1 1 378.473 1.987 20 0 GDADMM O=C([O-])N1CC[C@@H](CCNC(=O)NC2CCN(Cc3ccncc3)CC2)C1 ZINC000740431077 602703747 /nfs/dbraw/zinc/70/37/47/602703747.db2.gz XNHNTZWKHJZSQT-MRXNPFEDSA-N -1 1 375.473 1.735 20 0 GDADMM CN1CCN(C[C@@H](NC(=O)N2CC[C@H](NC(=O)[O-])C2)c2ccccc2)CC1 ZINC000739739304 602713658 /nfs/dbraw/zinc/71/36/58/602713658.db2.gz ZTFGBCVTYCGGKW-DLBZAZTESA-N -1 1 375.473 1.027 20 0 GDADMM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000739155088 602747623 /nfs/dbraw/zinc/74/76/23/602747623.db2.gz RTDWSHPLGFCPTG-QGZVFWFLSA-N -1 1 389.500 1.592 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739177237 602761847 /nfs/dbraw/zinc/76/18/47/602761847.db2.gz OIEJACGKNHCFTI-KBUPBQIOSA-N -1 1 377.441 1.309 20 0 GDADMM CN(CCNC(=O)c1n[nH]c2ccc(I)cc21)C(=O)[O-] ZINC000828330232 602819318 /nfs/dbraw/zinc/81/93/18/602819318.db2.gz WKBNKPXVSVQXKH-UHFFFAOYSA-N -1 1 388.165 1.507 20 0 GDADMM C[C@@H](CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)Cn1cccn1 ZINC000824427015 607589267 /nfs/dbraw/zinc/58/92/67/607589267.db2.gz JVCMAUKWJWGGPJ-JTQLQIEISA-N -1 1 381.849 1.331 20 0 GDADMM C[C@@H](CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)Cn1cccn1 ZINC000824427015 607589270 /nfs/dbraw/zinc/58/92/70/607589270.db2.gz JVCMAUKWJWGGPJ-JTQLQIEISA-N -1 1 381.849 1.331 20 0 GDADMM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N[C@H](C)CN1CCN(C)CC1 ZINC000829175119 602874289 /nfs/dbraw/zinc/87/42/89/602874289.db2.gz YHDDNWSTPRVLEX-LLVKDONJSA-N -1 1 384.864 1.804 20 0 GDADMM O=C([O-])N[C@@H](C(=O)N1CC[C@@H](CN2CCOCC2)C1)c1cccc(Cl)c1 ZINC000740530239 602971251 /nfs/dbraw/zinc/97/12/51/602971251.db2.gz MZVWLYZIWPSUNN-XJKSGUPXSA-N -1 1 381.860 1.829 20 0 GDADMM CCOCCN1CCN(C(=O)N[C@H](C)[C@H]2CCCN(C(=O)[O-])C2)C[C@H]1CC ZINC000739489125 602973828 /nfs/dbraw/zinc/97/38/28/602973828.db2.gz PYHAVFYFNOBXAP-IXDOHACOSA-N -1 1 384.521 1.907 20 0 GDADMM CN1CCN(c2cc(C(=O)N[C@@H]3CCCC[C@@H]3CNC(=O)[O-])ccn2)CC1 ZINC000739736564 602988631 /nfs/dbraw/zinc/98/86/31/602988631.db2.gz NCOKXXRKSASGFP-HZPDHXFCSA-N -1 1 375.473 1.390 20 0 GDADMM Cc1ccc2nc([C@@H]3CCCN3C(=O)CN3CCN(C(=O)[O-])CC3=O)[nH]c2c1 ZINC000740152108 602998215 /nfs/dbraw/zinc/99/82/15/602998215.db2.gz BEUVNCOOSKIQBD-HNNXBMFYSA-N -1 1 385.424 1.357 20 0 GDADMM C[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)C(=O)N1CCCC[C@H]1C ZINC000824640974 607604140 /nfs/dbraw/zinc/60/41/40/607604140.db2.gz QKEMVYIZVSALJL-GHMZBOCLSA-N -1 1 396.448 1.074 20 0 GDADMM COC(=O)[C@H](C)CN(C1CC1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826098367 607604590 /nfs/dbraw/zinc/60/45/90/607604590.db2.gz CCWIJIXGEYVQMH-SECBINFHSA-N -1 1 399.860 1.482 20 0 GDADMM COC(=O)[C@H](C)CN(C1CC1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826098367 607604592 /nfs/dbraw/zinc/60/45/92/607604592.db2.gz CCWIJIXGEYVQMH-SECBINFHSA-N -1 1 399.860 1.482 20 0 GDADMM CCc1nc(CCNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cs1 ZINC000825744744 607604939 /nfs/dbraw/zinc/60/49/39/607604939.db2.gz DGEXYUDVIHWSAC-UHFFFAOYSA-N -1 1 382.446 1.546 20 0 GDADMM CCc1nc(CCNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cs1 ZINC000825744744 607604940 /nfs/dbraw/zinc/60/49/40/607604940.db2.gz DGEXYUDVIHWSAC-UHFFFAOYSA-N -1 1 382.446 1.546 20 0 GDADMM Cc1c(CN2CCSCC2)cccc1NC(=O)[C@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000740046123 603075902 /nfs/dbraw/zinc/07/59/02/603075902.db2.gz BLPWCTOCPYIAAG-GDBMZVCRSA-N -1 1 379.482 1.596 20 0 GDADMM Cc1nc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)nc2ccccc12 ZINC000826326668 607605397 /nfs/dbraw/zinc/60/53/97/607605397.db2.gz ZFQONOAOQHWWBF-UHFFFAOYSA-N -1 1 399.411 1.736 20 0 GDADMM O=S(=O)(Oc1ccc2c(c1)OCCCO2)c1cccc(F)c1-c1nnn[n-]1 ZINC000826493442 607605879 /nfs/dbraw/zinc/60/58/79/607605879.db2.gz KVWYVZGWOARWMA-UHFFFAOYSA-N -1 1 392.368 1.935 20 0 GDADMM O=S(=O)(Oc1ccc2c(c1)OCCCO2)c1cccc(F)c1-c1nn[n-]n1 ZINC000826493442 607605880 /nfs/dbraw/zinc/60/58/80/607605880.db2.gz KVWYVZGWOARWMA-UHFFFAOYSA-N -1 1 392.368 1.935 20 0 GDADMM COc1cccc([C@H](CNC(=O)[C@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])N(C)C)c1 ZINC000739946908 603107708 /nfs/dbraw/zinc/10/77/08/603107708.db2.gz YMKBQVGODOZDPG-VBNZEHGJSA-N -1 1 379.457 1.918 20 0 GDADMM O=C([O-])N[C@H]1CCC[C@@H](C(=O)NCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000740572217 603155457 /nfs/dbraw/zinc/15/54/57/603155457.db2.gz VVCBCNKUTRYDQC-MOPGFXCFSA-N -1 1 388.512 1.747 20 0 GDADMM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000739204974 603158187 /nfs/dbraw/zinc/15/81/87/603158187.db2.gz FDJYIACESJIINJ-PELKAZGASA-N -1 1 392.437 1.857 20 0 GDADMM COC(=O)[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)C(C)(C)C ZINC000826112310 607616503 /nfs/dbraw/zinc/61/65/03/607616503.db2.gz XKWGEBMUGPHYKJ-LLVKDONJSA-N -1 1 387.849 1.386 20 0 GDADMM COC(=O)[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)C(C)(C)C ZINC000826112310 607616504 /nfs/dbraw/zinc/61/65/04/607616504.db2.gz XKWGEBMUGPHYKJ-LLVKDONJSA-N -1 1 387.849 1.386 20 0 GDADMM CC(C)(C)[S@@](=O)CCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824123324 607617982 /nfs/dbraw/zinc/61/79/82/607617982.db2.gz DYXYWXCMWAAOFH-QHCPKHFHSA-N -1 1 391.906 1.346 20 0 GDADMM CC(C)(C)[S@@](=O)CCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824123324 607617984 /nfs/dbraw/zinc/61/79/84/607617984.db2.gz DYXYWXCMWAAOFH-QHCPKHFHSA-N -1 1 391.906 1.346 20 0 GDADMM Cc1cccc(S(=O)(=O)Oc2cccc(-n3cncn3)c2)c1-c1nn[n-]n1 ZINC000826304537 607620124 /nfs/dbraw/zinc/62/01/24/607620124.db2.gz OUXCZGYTQNSJCC-UHFFFAOYSA-N -1 1 383.393 1.524 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCC[C@@H]1Cn1cccn1 ZINC000826495346 607622119 /nfs/dbraw/zinc/62/21/19/607622119.db2.gz MQWPWGAARJAWCL-LLVKDONJSA-N -1 1 393.860 1.570 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCC[C@@H]1Cn1cccn1 ZINC000826495346 607622120 /nfs/dbraw/zinc/62/21/20/607622120.db2.gz MQWPWGAARJAWCL-LLVKDONJSA-N -1 1 393.860 1.570 20 0 GDADMM C[C@H]1CN(C(=O)CCn2c(=O)c3ccccc3[nH]c2=S)CC[C@H]1NC(=O)[O-] ZINC000739123896 603347874 /nfs/dbraw/zinc/34/78/74/603347874.db2.gz IDCQWGZPXIOESY-WCQYABFASA-N -1 1 390.465 1.580 20 0 GDADMM COc1cc(NC(=O)CCN2CCN(C(=O)[O-])[C@H](C)C2)cc(OC)c1OC ZINC000739868489 603354825 /nfs/dbraw/zinc/35/48/25/603354825.db2.gz TZYQCPBSLBDEII-GFCCVEGCSA-N -1 1 381.429 1.725 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc3c(c2)[nH]c(=S)n(C)c3=O)CC[C@H]1NC(=O)[O-] ZINC000739164902 603363748 /nfs/dbraw/zinc/36/37/48/603363748.db2.gz FHOHRPKZZJSWKA-BXKDBHETSA-N -1 1 376.438 1.340 20 0 GDADMM CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(NC(=O)[O-])cc1)N1CCN(C)CC1 ZINC000738772252 603383527 /nfs/dbraw/zinc/38/35/27/603383527.db2.gz DPFSQSSDAJDLGS-MRXNPFEDSA-N -1 1 391.472 1.103 20 0 GDADMM CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N(C)CCCNC(=O)[O-] ZINC000827418617 603393489 /nfs/dbraw/zinc/39/34/89/603393489.db2.gz QLDQXSTXIKHATF-UHFFFAOYSA-N -1 1 393.488 1.959 20 0 GDADMM CN1CCN(Cc2ccc(NC(=O)CN(C[C@@H]3CCCO3)C(=O)[O-])cc2)CC1 ZINC000739737775 603394258 /nfs/dbraw/zinc/39/42/58/603394258.db2.gz RQCXZVWHPVKILO-SFHVURJKSA-N -1 1 390.484 1.532 20 0 GDADMM O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCN(c2cccc(O)c2)CC1 ZINC000832758150 603397401 /nfs/dbraw/zinc/39/74/01/603397401.db2.gz XTARQGKMCAWMGK-PMACEKPBSA-N -1 1 385.464 1.754 20 0 GDADMM C[C@@H]1CN(CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CC[C@@H]1NC(=O)[O-] ZINC000739173008 603413736 /nfs/dbraw/zinc/41/37/36/603413736.db2.gz MPXVLRIYRPQFHV-XOKHGSTOSA-N -1 1 379.432 1.704 20 0 GDADMM C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739179789 603414036 /nfs/dbraw/zinc/41/40/36/603414036.db2.gz XGWFSLLTSSPJES-FPCVCCKLSA-N -1 1 391.468 1.651 20 0 GDADMM COCCN1CCC[C@H]1CNC(=O)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000739833921 603424606 /nfs/dbraw/zinc/42/46/06/603424606.db2.gz MEYOPODFCCZLQM-LBPRGKRZSA-N -1 1 382.392 1.081 20 0 GDADMM O=S(=O)(NC[C@@H](O)c1cccc(F)c1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826489028 607629348 /nfs/dbraw/zinc/62/93/48/607629348.db2.gz GCLAVCAZOMPYCX-GFCCVEGCSA-N -1 1 381.364 1.157 20 0 GDADMM O=S(=O)(NC[C@@H](O)c1cccc(F)c1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826489028 607629350 /nfs/dbraw/zinc/62/93/50/607629350.db2.gz GCLAVCAZOMPYCX-GFCCVEGCSA-N -1 1 381.364 1.157 20 0 GDADMM COC(=O)[C@@]1(NC(=O)[C@H]2CCN(C(=O)[O-])C2)CCCN(Cc2ccccc2)C1 ZINC000828623746 603444468 /nfs/dbraw/zinc/44/44/68/603444468.db2.gz GBLURSMUXVWRDH-OXJNMPFZSA-N -1 1 389.452 1.310 20 0 GDADMM C[C@H](O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824707771 607630957 /nfs/dbraw/zinc/63/09/57/607630957.db2.gz VTVFWSQPBBEKOX-NSHDSACASA-N -1 1 383.449 1.710 20 0 GDADMM CC(C)(C)NC(=O)CN1CCC(CNC(=O)C2(NC(=O)[O-])CCCC2)CC1 ZINC000823772519 603470496 /nfs/dbraw/zinc/47/04/96/603470496.db2.gz MAMLXPJMKUJFRT-UHFFFAOYSA-N -1 1 382.505 1.310 20 0 GDADMM CCCc1nc([C@@H]2CN(C(=O)NC[C@@H]3CCCN(C(=O)[O-])C3)CCO2)n[nH]1 ZINC000826954654 603497641 /nfs/dbraw/zinc/49/76/41/603497641.db2.gz SXEGFHOGNLHTTO-STQMWFEESA-N -1 1 380.449 1.230 20 0 GDADMM CCCc1n[nH]c([C@@H]2CN(C(=O)NC[C@@H]3CCCN(C(=O)[O-])C3)CCO2)n1 ZINC000826954654 603497644 /nfs/dbraw/zinc/49/76/44/603497644.db2.gz SXEGFHOGNLHTTO-STQMWFEESA-N -1 1 380.449 1.230 20 0 GDADMM CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000828042888 603563222 /nfs/dbraw/zinc/56/32/22/603563222.db2.gz TUMSUJDJTWCTDL-AWEZNQCLSA-N -1 1 377.445 1.453 20 0 GDADMM O=C([O-])Nc1ccc(CCNC(=O)N2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000832840597 603575111 /nfs/dbraw/zinc/57/51/11/603575111.db2.gz SVDWAUNSXAZJKC-MRXNPFEDSA-N -1 1 376.457 1.683 20 0 GDADMM O=C([O-])N[C@H](CC(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1)Cc1ccccc1 ZINC000832100024 603579142 /nfs/dbraw/zinc/57/91/42/603579142.db2.gz SMOYIJOEFCNXTP-BZSNNMDCSA-N -1 1 375.469 1.313 20 0 GDADMM CN(CN1C(=O)N[C@]2(CCCC[C@@H]2CNC(=O)[O-])C1=O)C(C1CC1)C1CC1 ZINC000828345439 603597700 /nfs/dbraw/zinc/59/77/00/603597700.db2.gz CPEWIHMKBZSENZ-KUHUBIRLSA-N -1 1 378.473 1.813 20 0 GDADMM CCC(CC)n1ccc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)n1 ZINC000825114910 607640620 /nfs/dbraw/zinc/64/06/20/607640620.db2.gz RJQLXXYWSZVXBK-AWEZNQCLSA-N -1 1 396.503 1.925 20 0 GDADMM CCC(CC)n1ccc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)n1 ZINC000825114910 607640621 /nfs/dbraw/zinc/64/06/21/607640621.db2.gz RJQLXXYWSZVXBK-AWEZNQCLSA-N -1 1 396.503 1.925 20 0 GDADMM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000826109156 603667126 /nfs/dbraw/zinc/66/71/26/603667126.db2.gz JAPQHBDDEWCQON-BBRMVZONSA-N -1 1 376.457 1.666 20 0 GDADMM O=C([O-])N[C@@H]1CCCN(C(=O)NCC2(CN3CCOCC3)CCCCC2)C1 ZINC000832358709 603672208 /nfs/dbraw/zinc/67/22/08/603672208.db2.gz LEXBKPNKHHQKTP-MRXNPFEDSA-N -1 1 382.505 1.711 20 0 GDADMM O=S(=O)(N[C@H](CCO)c1ccccc1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826492717 607644818 /nfs/dbraw/zinc/64/48/18/607644818.db2.gz ZRKNJPNYBIAABO-CYBMUJFWSA-N -1 1 377.401 1.408 20 0 GDADMM O=S(=O)(N[C@H](CCO)c1ccccc1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826492717 607644820 /nfs/dbraw/zinc/64/48/20/607644820.db2.gz ZRKNJPNYBIAABO-CYBMUJFWSA-N -1 1 377.401 1.408 20 0 GDADMM CC(C)(C)c1n[nH]c([C@H]2CN(C(=O)C3(CNC(=O)[O-])CCCC3)CCO2)n1 ZINC000823863689 603690333 /nfs/dbraw/zinc/69/03/33/603690333.db2.gz AKMDARKINKFIMW-GFCCVEGCSA-N -1 1 379.461 1.830 20 0 GDADMM CC(C)(C)c1nnc([C@H]2CN(C(=O)C3(CNC(=O)[O-])CCCC3)CCO2)[nH]1 ZINC000823863689 603690334 /nfs/dbraw/zinc/69/03/34/603690334.db2.gz AKMDARKINKFIMW-GFCCVEGCSA-N -1 1 379.461 1.830 20 0 GDADMM O=C([O-])NC[C@@H]1CCCN1C(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000832550647 603709823 /nfs/dbraw/zinc/70/98/23/603709823.db2.gz DIFPETMFPCYDEX-SFHVURJKSA-N -1 1 389.500 1.640 20 0 GDADMM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000831274496 603731124 /nfs/dbraw/zinc/73/11/24/603731124.db2.gz XAMDXZDRLTZRIH-CABCVRRESA-N -1 1 385.424 1.291 20 0 GDADMM CCN1CCN(CC(=O)NC[C@H](NC(=O)[O-])c2ccc(C(C)C)cc2)CC1 ZINC000827223316 603749227 /nfs/dbraw/zinc/74/92/27/603749227.db2.gz RQEMJCWGYQIQNJ-SFHVURJKSA-N -1 1 376.501 1.872 20 0 GDADMM COc1ccnc(N2CCN(C(=O)[C@H]3[C@@H](C)OC(C)(C)N3C(=O)[O-])CC2)c1 ZINC000829650574 603758404 /nfs/dbraw/zinc/75/84/04/603758404.db2.gz SLHNDSBPFKWWES-IUODEOHRSA-N -1 1 378.429 1.242 20 0 GDADMM O=C([O-])NCC1(C(=O)OCC2=Nc3ccccc3S(=O)(=O)N2)CCCC1 ZINC000832447831 603759281 /nfs/dbraw/zinc/75/92/81/603759281.db2.gz VPMMEQXMGIQOAQ-UHFFFAOYSA-N -1 1 381.410 1.380 20 0 GDADMM Cc1nc([C@H]2CCCN2S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)no1 ZINC000826324744 607653063 /nfs/dbraw/zinc/65/30/63/607653063.db2.gz CYINOXLVIVSSSZ-SNVBAGLBSA-N -1 1 379.377 1.223 20 0 GDADMM Cc1nc([C@H]2CCCN2S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)no1 ZINC000826324744 607653065 /nfs/dbraw/zinc/65/30/65/607653065.db2.gz CYINOXLVIVSSSZ-SNVBAGLBSA-N -1 1 379.377 1.223 20 0 GDADMM CN1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c2cc(F)ccc21 ZINC000826038569 607653212 /nfs/dbraw/zinc/65/32/12/607653212.db2.gz QVZFCAQBVAWIKN-UHFFFAOYSA-N -1 1 392.391 1.790 20 0 GDADMM CN1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c2cc(F)ccc21 ZINC000826038569 607653214 /nfs/dbraw/zinc/65/32/14/607653214.db2.gz QVZFCAQBVAWIKN-UHFFFAOYSA-N -1 1 392.391 1.790 20 0 GDADMM C[C@@H](CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)Oc1cccc(F)c1 ZINC000824426363 607650368 /nfs/dbraw/zinc/65/03/68/607650368.db2.gz DPTGYUMZJBMWIP-JTQLQIEISA-N -1 1 395.391 1.891 20 0 GDADMM O=C([O-])NC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC(CN2CCOCC2)CC1 ZINC000832498874 603864638 /nfs/dbraw/zinc/86/46/38/603864638.db2.gz MIMVLCFWWPWDDS-IRXDYDNUSA-N -1 1 382.505 1.567 20 0 GDADMM CCN(CC1CCN(C(=O)NC[C@H]2CN(CC(C)C)CCO2)CC1)C(=O)[O-] ZINC000827070850 603891875 /nfs/dbraw/zinc/89/18/75/603891875.db2.gz RJJVJNNMGDWNSU-KRWDZBQOSA-N -1 1 384.521 1.765 20 0 GDADMM O=S(=O)(NCCOCc1ccccc1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826491459 607660095 /nfs/dbraw/zinc/66/00/95/607660095.db2.gz KKTXCHNAQSIQAB-UHFFFAOYSA-N -1 1 377.401 1.501 20 0 GDADMM Cn1ccc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)c1 ZINC000826363277 607661525 /nfs/dbraw/zinc/66/15/25/607661525.db2.gz FVWNWPNSCQYTMS-UHFFFAOYSA-N -1 1 386.359 1.703 20 0 GDADMM C[C@@H]1CN(C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)CC[C@@H]1NC(=O)[O-] ZINC000825987795 604004698 /nfs/dbraw/zinc/00/46/98/604004698.db2.gz FZIDDRMMFXPNEX-PWSUYJOCSA-N -1 1 376.438 1.190 20 0 GDADMM CCN(Cc1cccc(NC(=O)C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)c1)C(=O)[O-] ZINC000827162145 604042416 /nfs/dbraw/zinc/04/24/16/604042416.db2.gz SIQIWPFQCXCZGB-CJNGLKHVSA-N -1 1 388.468 1.866 20 0 GDADMM O=C([O-])N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000832757332 604058280 /nfs/dbraw/zinc/05/82/80/604058280.db2.gz CPCLIBOVGSIVQX-SQNIBIBYSA-N -1 1 375.469 1.313 20 0 GDADMM O=S(=O)(NCCNc1ccccc1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826491385 607671177 /nfs/dbraw/zinc/67/11/77/607671177.db2.gz HLTRKBUAKPKXCO-UHFFFAOYSA-N -1 1 378.845 1.911 20 0 GDADMM O=S(=O)(NCCNc1ccccc1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826491385 607671179 /nfs/dbraw/zinc/67/11/79/607671179.db2.gz HLTRKBUAKPKXCO-UHFFFAOYSA-N -1 1 378.845 1.911 20 0 GDADMM C[C@H](CN1CCN(C)CC1)NC(=O)NCCN(C(=O)[O-])C1CCCCCC1 ZINC000824907819 604142624 /nfs/dbraw/zinc/14/26/24/604142624.db2.gz NQUQXQKBGSFVMS-MRXNPFEDSA-N -1 1 383.537 1.624 20 0 GDADMM C[C@H](NC(=O)[O-])[C@H]1CCCN(CC(=O)NCc2cnn(-c3ccccc3)c2)C1 ZINC000825264864 604160930 /nfs/dbraw/zinc/16/09/30/604160930.db2.gz OKADXQPRKLBBNZ-RDJZCZTQSA-N -1 1 385.468 1.857 20 0 GDADMM O=C1NCCCN1C1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000826482832 607676177 /nfs/dbraw/zinc/67/61/77/607676177.db2.gz REGJRQXXWXYCTE-UHFFFAOYSA-N -1 1 379.428 1.194 20 0 GDADMM O=C1NCCCN1C1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000826482832 607676178 /nfs/dbraw/zinc/67/61/78/607676178.db2.gz REGJRQXXWXYCTE-UHFFFAOYSA-N -1 1 379.428 1.194 20 0 GDADMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000825256500 604171540 /nfs/dbraw/zinc/17/15/40/604171540.db2.gz YLXDZUKHBYCUFE-OKZBNKHCSA-N -1 1 388.512 1.997 20 0 GDADMM O=S(=O)(N[C@@H]1CCO[C@@]2(CCSC2)C1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826489319 607676843 /nfs/dbraw/zinc/67/68/43/607676843.db2.gz MJROWBZQMSRXNJ-ABAIWWIYSA-N -1 1 399.473 1.339 20 0 GDADMM O=S(=O)(N[C@H]1CCOC2(CCC2)C1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826489803 607677022 /nfs/dbraw/zinc/67/70/22/607677022.db2.gz ZZZSBMCGGQQULT-JTQLQIEISA-N -1 1 383.861 1.900 20 0 GDADMM O=S(=O)(N[C@H]1CCOC2(CCC2)C1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826489803 607677024 /nfs/dbraw/zinc/67/70/24/607677024.db2.gz ZZZSBMCGGQQULT-JTQLQIEISA-N -1 1 383.861 1.900 20 0 GDADMM NC(=O)Cc1ccccc1OS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826392373 607677214 /nfs/dbraw/zinc/67/72/14/607677214.db2.gz WBYPSLJIYAGKQO-UHFFFAOYSA-N -1 1 393.812 1.316 20 0 GDADMM NC(=O)Cc1ccccc1OS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826392373 607677215 /nfs/dbraw/zinc/67/72/15/607677215.db2.gz WBYPSLJIYAGKQO-UHFFFAOYSA-N -1 1 393.812 1.316 20 0 GDADMM CC(C)(C)NC(=O)CN1CCC(CNC(=O)[C@@]2(C)CCN(C(=O)[O-])C2)CC1 ZINC000823773816 604251070 /nfs/dbraw/zinc/25/10/70/604251070.db2.gz VXPXVTLGVDOFGB-IBGZPJMESA-N -1 1 382.505 1.119 20 0 GDADMM C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)CCNC(=O)c2n[nH]c3ccccc32)C1 ZINC000825209688 604262554 /nfs/dbraw/zinc/26/25/54/604262554.db2.gz FHPCKTPCYKNPRH-STQMWFEESA-N -1 1 387.440 1.578 20 0 GDADMM C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)CCN2CCN(c3ccccn3)CC2)C1 ZINC000825210444 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O=C([O-])NC1(CC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)CCC1 ZINC000834155706 605682842 /nfs/dbraw/zinc/68/28/42/605682842.db2.gz PIEDTBGMPHMNPN-DLBZAZTESA-N -1 1 375.469 1.566 20 0 GDADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)C=Cc3cncc(O)c3)cc2)n1 ZINC000834247931 605735233 /nfs/dbraw/zinc/73/52/33/605735233.db2.gz YOCRTVJSJVAZGW-BHQIHCQQSA-N -1 1 380.364 1.992 20 0 GDADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)C=Cc3cncc(O)c3)cc2)n[nH]1 ZINC000834247931 605735237 /nfs/dbraw/zinc/73/52/37/605735237.db2.gz YOCRTVJSJVAZGW-BHQIHCQQSA-N -1 1 380.364 1.992 20 0 GDADMM C[C@H](OC(=O)c1cc(C(=O)[O-])no1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000833534048 605822096 /nfs/dbraw/zinc/82/20/96/605822096.db2.gz QRYJXSWVWOQBCY-GXTWGEPZSA-N -1 1 387.392 1.309 20 0 GDADMM O=C([O-])N1CCC2(C[C@@H]2C(=O)OCC2=Nc3ccccc3S(=O)(=O)N2)CC1 ZINC000834284783 605878833 /nfs/dbraw/zinc/87/88/33/605878833.db2.gz OQIYYEKZZPNYER-LLVKDONJSA-N -1 1 393.421 1.332 20 0 GDADMM C[C@H]1C[C@H](CNC(=O)[O-])CN1CC(=O)N(CCC(N)=O)c1ccc(F)cc1 ZINC000833833259 605881020 /nfs/dbraw/zinc/88/10/20/605881020.db2.gz XBZSFYMEJCFQSW-QWHCGFSZSA-N -1 1 380.420 1.012 20 0 GDADMM C[C@H]1C[C@H](CNC(=O)[O-])CN1CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000833830922 605896120 /nfs/dbraw/zinc/89/61/20/605896120.db2.gz LIGPJHUVHGAUIT-UCLAKFIYSA-N -1 1 392.500 1.759 20 0 GDADMM C[C@H]1C[C@@H](CNC(=O)[O-])CN1CC(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000833831725 605905146 /nfs/dbraw/zinc/90/51/46/605905146.db2.gz OYSKEGIMJBTBQE-RDJZCZTQSA-N -1 1 390.484 1.435 20 0 GDADMM C[C@@H]1[C@H](C)N(C(=O)[O-])CCN1CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000833826350 606040783 /nfs/dbraw/zinc/04/07/83/606040783.db2.gz GUESOYIPJLVRMQ-MNOVXSKESA-N -1 1 382.848 1.840 20 0 GDADMM C[C@@H]1[C@@H](C)N(C(=O)[O-])CCN1CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000833829590 606042034 /nfs/dbraw/zinc/04/20/34/606042034.db2.gz SSSQBXAXPTVOAL-HZPDHXFCSA-N -1 1 390.484 1.924 20 0 GDADMM COC[C@H](NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)c1ccc(C)o1 ZINC000821683764 606115058 /nfs/dbraw/zinc/11/50/58/606115058.db2.gz JSWBHTRZOCSXSI-NSHDSACASA-N -1 1 390.425 1.708 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCCOCc1ccccc1 ZINC000822004381 606123784 /nfs/dbraw/zinc/12/37/84/606123784.db2.gz GNFHIOGRQIWBFK-UHFFFAOYSA-N -1 1 396.451 1.850 20 0 GDADMM COc1ccccc1CN(C)C(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821889745 606134435 /nfs/dbraw/zinc/13/44/35/606134435.db2.gz FMQBMMWPGAVLJF-UHFFFAOYSA-N -1 1 387.421 1.752 20 0 GDADMM COc1ccccc1CN(C)C(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821889745 606134436 /nfs/dbraw/zinc/13/44/36/606134436.db2.gz FMQBMMWPGAVLJF-UHFFFAOYSA-N -1 1 387.421 1.752 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)N1CCc2sccc2C1 ZINC000823397225 606136353 /nfs/dbraw/zinc/13/63/53/606136353.db2.gz TUEUHGYBNBBVKS-UHFFFAOYSA-N -1 1 375.435 1.731 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)N1CCc2sccc2C1 ZINC000823397225 606136354 /nfs/dbraw/zinc/13/63/54/606136354.db2.gz TUEUHGYBNBBVKS-UHFFFAOYSA-N -1 1 375.435 1.731 20 0 GDADMM O=C(OCCCN1C(=O)c2ccccc2C1=O)c1ccc(-c2nnn[n-]2)s1 ZINC000823400757 606136721 /nfs/dbraw/zinc/13/67/21/606136721.db2.gz JJQAIXKIFMBXQG-UHFFFAOYSA-N -1 1 383.389 1.771 20 0 GDADMM O=C(OCCCN1C(=O)c2ccccc2C1=O)c1ccc(-c2nn[n-]n2)s1 ZINC000823400757 606136722 /nfs/dbraw/zinc/13/67/22/606136722.db2.gz JJQAIXKIFMBXQG-UHFFFAOYSA-N -1 1 383.389 1.771 20 0 GDADMM O=C(CNc1nccnc1-c1nnn[n-]1)N1CCC(Cc2ccccc2)CC1 ZINC000823013893 606139837 /nfs/dbraw/zinc/13/98/37/606139837.db2.gz AHFQAVPXQHEZES-UHFFFAOYSA-N -1 1 378.440 1.550 20 0 GDADMM O=C(CNc1nccnc1-c1nn[n-]n1)N1CCC(Cc2ccccc2)CC1 ZINC000823013893 606139838 /nfs/dbraw/zinc/13/98/38/606139838.db2.gz AHFQAVPXQHEZES-UHFFFAOYSA-N -1 1 378.440 1.550 20 0 GDADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc2c(c1)CC(=O)N2C ZINC000820380686 606154666 /nfs/dbraw/zinc/15/46/66/606154666.db2.gz YSQSGYZQTXBWFW-SECBINFHSA-N -1 1 381.400 1.002 20 0 GDADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc2c(c1)CC(=O)N2C ZINC000820380686 606154669 /nfs/dbraw/zinc/15/46/69/606154669.db2.gz YSQSGYZQTXBWFW-SECBINFHSA-N -1 1 381.400 1.002 20 0 GDADMM CCN(CC)C(=O)c1ccc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000821175459 606157187 /nfs/dbraw/zinc/15/71/87/606157187.db2.gz NXJNDKDZGMRXIN-UHFFFAOYSA-N -1 1 397.443 1.404 20 0 GDADMM CCN(CC)C(=O)c1ccc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000821175459 606157189 /nfs/dbraw/zinc/15/71/89/606157189.db2.gz NXJNDKDZGMRXIN-UHFFFAOYSA-N -1 1 397.443 1.404 20 0 GDADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1cccc(N2CCOC2=O)c1 ZINC000820380073 606159651 /nfs/dbraw/zinc/15/96/51/606159651.db2.gz KTFVQHWTBQFXRY-SNVBAGLBSA-N -1 1 397.399 1.440 20 0 GDADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1cccc(N2CCOC2=O)c1 ZINC000820380073 606159653 /nfs/dbraw/zinc/15/96/53/606159653.db2.gz KTFVQHWTBQFXRY-SNVBAGLBSA-N -1 1 397.399 1.440 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCO[C@H](c3ccccc3Cl)C2)n1 ZINC000822609816 606161605 /nfs/dbraw/zinc/16/16/05/606161605.db2.gz VZGDSXKADASYPA-ZDUSSCGKSA-N -1 1 388.819 1.859 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCO[C@H](c3ccccc3Cl)C2)n1 ZINC000822609816 606161607 /nfs/dbraw/zinc/16/16/07/606161607.db2.gz VZGDSXKADASYPA-ZDUSSCGKSA-N -1 1 388.819 1.859 20 0 GDADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(N2CCCC2=O)cc1 ZINC000820380419 606162281 /nfs/dbraw/zinc/16/22/81/606162281.db2.gz SIYGTMVECFPSTG-NSHDSACASA-N -1 1 395.427 1.610 20 0 GDADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(N2CCCC2=O)cc1 ZINC000820380419 606162282 /nfs/dbraw/zinc/16/22/82/606162282.db2.gz SIYGTMVECFPSTG-NSHDSACASA-N -1 1 395.427 1.610 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccc(OC3CCCC3)nc2)n1 ZINC000822619618 606163081 /nfs/dbraw/zinc/16/30/81/606163081.db2.gz BJJDXWZAELSAQC-UHFFFAOYSA-N -1 1 383.416 1.638 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccc(OC3CCCC3)nc2)n1 ZINC000822619618 606163083 /nfs/dbraw/zinc/16/30/83/606163083.db2.gz BJJDXWZAELSAQC-UHFFFAOYSA-N -1 1 383.416 1.638 20 0 GDADMM C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820563990 606165128 /nfs/dbraw/zinc/16/51/28/606165128.db2.gz XBBHWFFIAULRNE-FLESLCNUSA-N -1 1 388.457 1.563 20 0 GDADMM C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820563990 606165130 /nfs/dbraw/zinc/16/51/30/606165130.db2.gz XBBHWFFIAULRNE-FLESLCNUSA-N -1 1 388.457 1.563 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCCCOCCc2ccccc2)n1 ZINC000822613225 606167469 /nfs/dbraw/zinc/16/74/69/606167469.db2.gz CJWABWVLHULBJA-UHFFFAOYSA-N -1 1 384.444 1.761 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCCCOCCc2ccccc2)n1 ZINC000822613225 606167471 /nfs/dbraw/zinc/16/74/71/606167471.db2.gz CJWABWVLHULBJA-UHFFFAOYSA-N -1 1 384.444 1.761 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2cccc(N3CCCC3=O)c2)n1 ZINC000822620477 606167510 /nfs/dbraw/zinc/16/75/10/606167510.db2.gz SGIFIERCBGVJDY-UHFFFAOYSA-N -1 1 381.400 1.049 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2cccc(N3CCCC3=O)c2)n1 ZINC000822620477 606167512 /nfs/dbraw/zinc/16/75/12/606167512.db2.gz SGIFIERCBGVJDY-UHFFFAOYSA-N -1 1 381.400 1.049 20 0 GDADMM C[C@H](CCNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)NC(=O)OC(C)(C)C ZINC000820243281 606167773 /nfs/dbraw/zinc/16/77/73/606167773.db2.gz ZOXNKYBGZQHELH-SECBINFHSA-N -1 1 379.425 1.025 20 0 GDADMM C[C@H](CCNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)NC(=O)OC(C)(C)C ZINC000820243281 606167774 /nfs/dbraw/zinc/16/77/74/606167774.db2.gz ZOXNKYBGZQHELH-SECBINFHSA-N -1 1 379.425 1.025 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)n1 ZINC000822605036 606168580 /nfs/dbraw/zinc/16/85/80/606168580.db2.gz VSLGMSWNRLQPBJ-UHFFFAOYSA-N -1 1 395.427 1.483 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)n1 ZINC000822605036 606168582 /nfs/dbraw/zinc/16/85/82/606168582.db2.gz VSLGMSWNRLQPBJ-UHFFFAOYSA-N -1 1 395.427 1.483 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCN(c3nc4ccccc4o3)CC2)n1 ZINC000822609099 606170515 /nfs/dbraw/zinc/17/05/15/606170515.db2.gz JOGOTWLWIDLWBJ-UHFFFAOYSA-N -1 1 394.399 1.096 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCN(c3nc4ccccc4o3)CC2)n1 ZINC000822609099 606170517 /nfs/dbraw/zinc/17/05/17/606170517.db2.gz JOGOTWLWIDLWBJ-UHFFFAOYSA-N -1 1 394.399 1.096 20 0 GDADMM COc1cccc(N2CCC[C@H](NC(=O)Nc3nn(C)cc3-c3nnn[n-]3)C2)c1 ZINC000821872424 606170862 /nfs/dbraw/zinc/17/08/62/606170862.db2.gz MFJGLMGMFKEVMR-LBPRGKRZSA-N -1 1 397.443 1.399 20 0 GDADMM COc1cccc(N2CCC[C@H](NC(=O)Nc3nn(C)cc3-c3nn[n-]n3)C2)c1 ZINC000821872424 606170863 /nfs/dbraw/zinc/17/08/63/606170863.db2.gz MFJGLMGMFKEVMR-LBPRGKRZSA-N -1 1 397.443 1.399 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCc2ccc(N3CCCCC3)cc2)n1 ZINC000822620500 606171732 /nfs/dbraw/zinc/17/17/32/606171732.db2.gz UBSZUOUAZXEDBC-UHFFFAOYSA-N -1 1 395.471 1.955 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCc2ccc(N3CCCCC3)cc2)n1 ZINC000822620500 606171733 /nfs/dbraw/zinc/17/17/33/606171733.db2.gz UBSZUOUAZXEDBC-UHFFFAOYSA-N -1 1 395.471 1.955 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N(CCCO)S(=O)(=O)c1cccs1 ZINC000823478778 606178120 /nfs/dbraw/zinc/17/81/20/606178120.db2.gz RZDHLVQKFCLDKQ-UHFFFAOYSA-N -1 1 399.479 1.203 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N(CCCO)S(=O)(=O)c1cccs1 ZINC000823478778 606178122 /nfs/dbraw/zinc/17/81/22/606178122.db2.gz RZDHLVQKFCLDKQ-UHFFFAOYSA-N -1 1 399.479 1.203 20 0 GDADMM O=C1CCCN1CC[C@@H]1CN(c2nccnc2-c2nnn[n-]2)c2ccccc21 ZINC000823531089 606231994 /nfs/dbraw/zinc/23/19/94/606231994.db2.gz YCXYGCCCDFGVGI-CYBMUJFWSA-N -1 1 376.424 1.905 20 0 GDADMM O=C1CCCN1CC[C@@H]1CN(c2nccnc2-c2nn[n-]n2)c2ccccc21 ZINC000823531089 606231996 /nfs/dbraw/zinc/23/19/96/606231996.db2.gz YCXYGCCCDFGVGI-CYBMUJFWSA-N -1 1 376.424 1.905 20 0 GDADMM Cn1c2ccccc2n(CCC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1=O ZINC000822596655 606293168 /nfs/dbraw/zinc/29/31/68/606293168.db2.gz PLEOSQGSOHFVKZ-UHFFFAOYSA-N -1 1 379.380 1.255 20 0 GDADMM Cc1ccc(C(=O)NCCC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c(O)c1 ZINC000822226550 606296684 /nfs/dbraw/zinc/29/66/84/606296684.db2.gz XZHMEFGPBAJOFR-UHFFFAOYSA-N -1 1 382.380 1.345 20 0 GDADMM CCc1nc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])nn1-c1ccccc1 ZINC000821506032 606297484 /nfs/dbraw/zinc/29/74/84/606297484.db2.gz WNMOFDVGSYEHGH-UHFFFAOYSA-N -1 1 376.380 1.968 20 0 GDADMM C[C@@H]1CN([C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)nc2)c2cccs2)CCO1 ZINC000820752293 606298765 /nfs/dbraw/zinc/29/87/65/606298765.db2.gz LPRGIINLYHAFLD-DOMZBBRYSA-N -1 1 399.480 1.515 20 0 GDADMM C[C@@H]1CN([C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)nc2)c2cccs2)CCO1 ZINC000820752293 606298766 /nfs/dbraw/zinc/29/87/66/606298766.db2.gz LPRGIINLYHAFLD-DOMZBBRYSA-N -1 1 399.480 1.515 20 0 GDADMM CN1C(=O)CN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c2ccccc21 ZINC000821620397 606331479 /nfs/dbraw/zinc/33/14/79/606331479.db2.gz IPXNXQAAZDFTBB-UHFFFAOYSA-N -1 1 388.384 1.178 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2CCCc3c2cnn3C(C)(C)C)n1 ZINC000822614028 606345204 /nfs/dbraw/zinc/34/52/04/606345204.db2.gz IHSVFBYJFLHYAM-LBPRGKRZSA-N -1 1 384.448 1.751 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2CCCc3c2cnn3C(C)(C)C)n1 ZINC000822614028 606345206 /nfs/dbraw/zinc/34/52/06/606345206.db2.gz IHSVFBYJFLHYAM-LBPRGKRZSA-N -1 1 384.448 1.751 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OCC(=O)CC(C)C ZINC000822458916 606370879 /nfs/dbraw/zinc/37/08/79/606370879.db2.gz IYAUUUWUIROOCE-UHFFFAOYSA-N -1 1 385.428 1.617 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OCC(=O)CC(C)C ZINC000822458916 606370881 /nfs/dbraw/zinc/37/08/81/606370881.db2.gz IYAUUUWUIROOCE-UHFFFAOYSA-N -1 1 385.428 1.617 20 0 GDADMM O=C(COC(=O)[C@@H]1C[C@H]1C1CC1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000823018560 606392043 /nfs/dbraw/zinc/39/20/43/606392043.db2.gz RRVOJXNLAMUCJB-UONOGXRCSA-N -1 1 393.407 1.580 20 0 GDADMM O=C(COC(=O)[C@@H]1C[C@H]1C1CC1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000823018560 606392045 /nfs/dbraw/zinc/39/20/45/606392045.db2.gz RRVOJXNLAMUCJB-UONOGXRCSA-N -1 1 393.407 1.580 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1nccc2c1C(=O)OC2(C)C ZINC000821601504 606443545 /nfs/dbraw/zinc/44/35/45/606443545.db2.gz KUVBGKYZWXKBPD-UHFFFAOYSA-N -1 1 383.416 1.042 20 0 GDADMM CN(c1ccc(Cl)c(-c2nnn[n-]2)n1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000821619400 606466673 /nfs/dbraw/zinc/46/66/73/606466673.db2.gz VNVKWCGYTUFRDF-MRVPVSSYSA-N -1 1 375.742 1.515 20 0 GDADMM CN(c1ccc(Cl)c(-c2nn[n-]n2)n1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000821619400 606466675 /nfs/dbraw/zinc/46/66/75/606466675.db2.gz VNVKWCGYTUFRDF-MRVPVSSYSA-N -1 1 375.742 1.515 20 0 GDADMM COc1ccc(OC)c2c1CN(C(=O)c1ccc(-c3nnn[n-]3)s1)C[C@H]2O ZINC000821842651 606497227 /nfs/dbraw/zinc/49/72/27/606497227.db2.gz VAROWHWJEXETBC-SNVBAGLBSA-N -1 1 387.421 1.635 20 0 GDADMM COc1ccc(OC)c2c1CN(C(=O)c1ccc(-c3nn[n-]n3)s1)C[C@H]2O ZINC000821842651 606497228 /nfs/dbraw/zinc/49/72/28/606497228.db2.gz VAROWHWJEXETBC-SNVBAGLBSA-N -1 1 387.421 1.635 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000823484241 606522089 /nfs/dbraw/zinc/52/20/89/606522089.db2.gz UPXOEDPVSXXFPJ-UHFFFAOYSA-N -1 1 375.458 1.292 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000823484241 606522090 /nfs/dbraw/zinc/52/20/90/606522090.db2.gz UPXOEDPVSXXFPJ-UHFFFAOYSA-N -1 1 375.458 1.292 20 0 GDADMM CCC(CC)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)N1CCOCC1 ZINC000820892822 606524084 /nfs/dbraw/zinc/52/40/84/606524084.db2.gz FTQNDEPOASKWGF-CYBMUJFWSA-N -1 1 378.502 1.795 20 0 GDADMM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820564081 606546719 /nfs/dbraw/zinc/54/67/19/606546719.db2.gz YBVDJIXESDXLCD-SECBINFHSA-N -1 1 392.466 1.409 20 0 GDADMM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820564081 606546721 /nfs/dbraw/zinc/54/67/21/606546721.db2.gz YBVDJIXESDXLCD-SECBINFHSA-N -1 1 392.466 1.409 20 0 GDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000822459269 606562619 /nfs/dbraw/zinc/56/26/19/606562619.db2.gz PDZLPKAIDGRKOQ-UHFFFAOYSA-N -1 1 378.396 1.091 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000823483533 606564268 /nfs/dbraw/zinc/56/42/68/606564268.db2.gz IWLKOUYVBYJNCG-UHFFFAOYSA-N -1 1 378.355 1.586 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000823483533 606564270 /nfs/dbraw/zinc/56/42/70/606564270.db2.gz IWLKOUYVBYJNCG-UHFFFAOYSA-N -1 1 378.355 1.586 20 0 GDADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1nc(Cc2ccccc2)no1 ZINC000820380102 606578765 /nfs/dbraw/zinc/57/87/65/606578765.db2.gz LGLZLSFOBKLJED-JTQLQIEISA-N -1 1 394.399 1.457 20 0 GDADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1nc(Cc2ccccc2)no1 ZINC000820380102 606578767 /nfs/dbraw/zinc/57/87/67/606578767.db2.gz LGLZLSFOBKLJED-JTQLQIEISA-N -1 1 394.399 1.457 20 0 GDADMM Cc1nc2c(c(=O)[nH]n2C)c(C)c1CNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822459793 606599275 /nfs/dbraw/zinc/59/92/75/606599275.db2.gz WUYAFCHUTZHWER-UHFFFAOYSA-N -1 1 384.425 1.462 20 0 GDADMM Cc1nc2c(c(=O)[nH]n2C)c(C)c1CNC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822459793 606599276 /nfs/dbraw/zinc/59/92/76/606599276.db2.gz WUYAFCHUTZHWER-UHFFFAOYSA-N -1 1 384.425 1.462 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H](C)CO[C@H]1CCOC1 ZINC000822535101 606625946 /nfs/dbraw/zinc/62/59/46/606625946.db2.gz GQAVADXCKQWUFH-AAEUAGOBSA-N -1 1 386.412 1.483 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H](C)CO[C@H]1CCOC1 ZINC000822535101 606625947 /nfs/dbraw/zinc/62/59/47/606625947.db2.gz GQAVADXCKQWUFH-AAEUAGOBSA-N -1 1 386.412 1.483 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)OCc2ccnc(-c3nnn[n-]3)c2)C1 ZINC000819933099 606647906 /nfs/dbraw/zinc/64/79/06/606647906.db2.gz FVOJUHCHEITDAV-CYBMUJFWSA-N -1 1 388.428 1.952 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)OCc2ccnc(-c3nn[n-]n3)c2)C1 ZINC000819933099 606647907 /nfs/dbraw/zinc/64/79/07/606647907.db2.gz FVOJUHCHEITDAV-CYBMUJFWSA-N -1 1 388.428 1.952 20 0 GDADMM Cc1cc(C)n(-c2ccccc2CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)n1 ZINC000822197452 606772071 /nfs/dbraw/zinc/77/20/71/606772071.db2.gz BQKRMJIPVCBJCA-UHFFFAOYSA-N -1 1 392.427 1.724 20 0 GDADMM Cc1cc(C)n(-c2ccccc2CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)n1 ZINC000822197452 606772072 /nfs/dbraw/zinc/77/20/72/606772072.db2.gz BQKRMJIPVCBJCA-UHFFFAOYSA-N -1 1 392.427 1.724 20 0 GDADMM O=S(=O)([N-]c1cc(C2CCOCC2)n[nH]1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823583711 606780042 /nfs/dbraw/zinc/78/00/42/606780042.db2.gz YXNNQKNWUSYHHA-UHFFFAOYSA-N -1 1 375.414 1.285 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1nc2ccccc2o1 ZINC000820804287 606780753 /nfs/dbraw/zinc/78/07/53/606780753.db2.gz POFLURIJTWLDQI-LBPRGKRZSA-N -1 1 377.412 1.509 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1nc2ccccc2o1 ZINC000820804287 606780754 /nfs/dbraw/zinc/78/07/54/606780754.db2.gz POFLURIJTWLDQI-LBPRGKRZSA-N -1 1 377.412 1.509 20 0 GDADMM Cc1cccc2nc(CN3CCN(c4nccnc4-c4nnn[n-]4)C[C@H]3C)cn21 ZINC000822341000 606784046 /nfs/dbraw/zinc/78/40/46/606784046.db2.gz QDTGVOCZIYKEDF-CQSZACIVSA-N -1 1 390.455 1.324 20 0 GDADMM Cc1cccc2nc(CN3CCN(c4nccnc4-c4nn[n-]n4)C[C@H]3C)cn21 ZINC000822341000 606784048 /nfs/dbraw/zinc/78/40/48/606784048.db2.gz QDTGVOCZIYKEDF-CQSZACIVSA-N -1 1 390.455 1.324 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCc1cccc(F)c1 ZINC000820789089 606786519 /nfs/dbraw/zinc/78/65/19/606786519.db2.gz VJUDASIYAMPRTC-GFCCVEGCSA-N -1 1 397.418 1.216 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCc1cccc(F)c1 ZINC000820789089 606786521 /nfs/dbraw/zinc/78/65/21/606786521.db2.gz VJUDASIYAMPRTC-GFCCVEGCSA-N -1 1 397.418 1.216 20 0 GDADMM COc1cc([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)ccc1NC(N)=O ZINC000821724453 606788268 /nfs/dbraw/zinc/78/82/68/606788268.db2.gz VJEKKOPTBHLQIJ-UHFFFAOYSA-N -1 1 389.397 1.167 20 0 GDADMM C[C@H](NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)c1ccccc1 ZINC000820349795 606791589 /nfs/dbraw/zinc/79/15/89/606791589.db2.gz IKWZASMYFGZENJ-KBPBESRZSA-N -1 1 393.455 1.638 20 0 GDADMM C[C@H](NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)c1ccccc1 ZINC000820349795 606791591 /nfs/dbraw/zinc/79/15/91/606791591.db2.gz IKWZASMYFGZENJ-KBPBESRZSA-N -1 1 393.455 1.638 20 0 GDADMM C[C@@H](NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)c1ccccc1 ZINC000820349797 606791755 /nfs/dbraw/zinc/79/17/55/606791755.db2.gz IKWZASMYFGZENJ-UONOGXRCSA-N -1 1 393.455 1.638 20 0 GDADMM C[C@@H](NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)c1ccccc1 ZINC000820349797 606791757 /nfs/dbraw/zinc/79/17/57/606791757.db2.gz IKWZASMYFGZENJ-UONOGXRCSA-N -1 1 393.455 1.638 20 0 GDADMM CC[C@@H](C)CSCC(=O)N1CCN(c2oc(C)nc2-c2nn[n-]n2)CC1 ZINC000820870254 606796310 /nfs/dbraw/zinc/79/63/10/606796310.db2.gz PUDAWVAZYDOPFT-LLVKDONJSA-N -1 1 379.490 1.591 20 0 GDADMM COc1cc(OC)cc(N2CC[C@H](CNc3nccnc3-c3nnn[n-]3)C2)c1 ZINC000821724138 606804339 /nfs/dbraw/zinc/80/43/39/606804339.db2.gz QZWXILCZDBYABU-GFCCVEGCSA-N -1 1 382.428 1.612 20 0 GDADMM COc1cc(OC)cc(N2CC[C@H](CNc3nccnc3-c3nn[n-]n3)C2)c1 ZINC000821724138 606804340 /nfs/dbraw/zinc/80/43/40/606804340.db2.gz QZWXILCZDBYABU-GFCCVEGCSA-N -1 1 382.428 1.612 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H](C)CCS(C)(=O)=O ZINC000822535195 606809400 /nfs/dbraw/zinc/80/94/00/606809400.db2.gz JFFOCDJLDAAJJN-JTQLQIEISA-N -1 1 392.441 1.112 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H](C)CCS(C)(=O)=O ZINC000822535195 606809402 /nfs/dbraw/zinc/80/94/02/606809402.db2.gz JFFOCDJLDAAJJN-JTQLQIEISA-N -1 1 392.441 1.112 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC[C@]2(C)CCCC[C@H]2O)cc1-c1nn[n-]n1 ZINC000821979521 606817094 /nfs/dbraw/zinc/81/70/94/606817094.db2.gz SNTUHYMDTZFAOY-BZNIZROVSA-N -1 1 378.458 1.360 20 0 GDADMM Cc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cc1C ZINC000822226273 606820497 /nfs/dbraw/zinc/82/04/97/606820497.db2.gz KLKSAULASYRGLE-CQSZACIVSA-N -1 1 378.440 1.624 20 0 GDADMM Cc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cc1C ZINC000822226273 606820498 /nfs/dbraw/zinc/82/04/98/606820498.db2.gz KLKSAULASYRGLE-CQSZACIVSA-N -1 1 378.440 1.624 20 0 GDADMM Cc1cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c(C)s1 ZINC000822168848 606820748 /nfs/dbraw/zinc/82/07/48/606820748.db2.gz SZIFRUMXLNSFOJ-SNVBAGLBSA-N -1 1 384.469 1.686 20 0 GDADMM Cc1cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c(C)s1 ZINC000822168848 606820749 /nfs/dbraw/zinc/82/07/49/606820749.db2.gz SZIFRUMXLNSFOJ-SNVBAGLBSA-N -1 1 384.469 1.686 20 0 GDADMM C[C@@H](Oc1ccccc1)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820535138 606823293 /nfs/dbraw/zinc/82/32/93/606823293.db2.gz NYOONWRXPZDWKW-UONOGXRCSA-N -1 1 394.439 1.161 20 0 GDADMM C[C@@H](Oc1ccccc1)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820535138 606823295 /nfs/dbraw/zinc/82/32/95/606823295.db2.gz NYOONWRXPZDWKW-UONOGXRCSA-N -1 1 394.439 1.161 20 0 GDADMM CC(C)OCc1cccc(CNC(=O)Cn2cccc(-c3nn[n-]n3)c2=O)c1 ZINC000820146921 606824676 /nfs/dbraw/zinc/82/46/76/606824676.db2.gz UVBVWFVNTXPQFZ-UHFFFAOYSA-N -1 1 382.424 1.270 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cccc(Cl)c1 ZINC000820788845 606824719 /nfs/dbraw/zinc/82/47/19/606824719.db2.gz PGIHHMVMBKNCHW-LLVKDONJSA-N -1 1 384.831 1.661 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cccc(Cl)c1 ZINC000820788845 606824720 /nfs/dbraw/zinc/82/47/20/606824720.db2.gz PGIHHMVMBKNCHW-LLVKDONJSA-N -1 1 384.831 1.661 20 0 GDADMM C[C@@H]1CCC[C@@H](C)C1NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820690736 606835442 /nfs/dbraw/zinc/83/54/42/606835442.db2.gz RAFIMVLOCVTIIL-MCIONIFRSA-N -1 1 399.503 1.702 20 0 GDADMM C[C@@H]1CCC[C@@H](C)C1NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820690736 606835443 /nfs/dbraw/zinc/83/54/43/606835443.db2.gz RAFIMVLOCVTIIL-MCIONIFRSA-N -1 1 399.503 1.702 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000823601117 606847574 /nfs/dbraw/zinc/84/75/74/606847574.db2.gz RSKWXAZJNWHORI-QWHCGFSZSA-N -1 1 399.860 1.089 20 0 GDADMM COc1ccc(F)cc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821828315 606855870 /nfs/dbraw/zinc/85/58/70/606855870.db2.gz SGDIZQDYXZUDCS-LLVKDONJSA-N -1 1 398.402 1.155 20 0 GDADMM COc1ccc(F)cc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821828315 606855872 /nfs/dbraw/zinc/85/58/72/606855872.db2.gz SGDIZQDYXZUDCS-LLVKDONJSA-N -1 1 398.402 1.155 20 0 GDADMM COc1ccc(N(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1F ZINC000821828359 606865864 /nfs/dbraw/zinc/86/58/64/606865864.db2.gz UBDTWKNFLHHNGJ-UHFFFAOYSA-N -1 1 381.364 1.979 20 0 GDADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1cc(-c2nn[nH]n2)ccc1O ZINC000822020454 606870372 /nfs/dbraw/zinc/87/03/72/606870372.db2.gz CRBKTJFIZNJIPH-UHFFFAOYSA-N -1 1 375.366 1.380 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCN(c2cccs2)CC1 ZINC000823607732 606896954 /nfs/dbraw/zinc/89/69/54/606896954.db2.gz WTIFJLLTXUAKKC-UHFFFAOYSA-N -1 1 394.457 1.578 20 0 GDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)C1CCN(C(=O)N2CCCC2)CC1 ZINC000823380367 607025429 /nfs/dbraw/zinc/02/54/29/607025429.db2.gz WFQMIIKWCOXFOC-UHFFFAOYSA-N -1 1 376.446 1.190 20 0 GDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)C1CCN(C(=O)N2CCCC2)CC1 ZINC000823380367 607025431 /nfs/dbraw/zinc/02/54/31/607025431.db2.gz WFQMIIKWCOXFOC-UHFFFAOYSA-N -1 1 376.446 1.190 20 0 GDADMM O[C@H](CNc1nccnc1-c1nnn[n-]1)COc1ccccc1Br ZINC000823689372 607032569 /nfs/dbraw/zinc/03/25/69/607032569.db2.gz FUBLTAFWRMLBJK-SECBINFHSA-N -1 1 392.217 1.271 20 0 GDADMM O[C@H](CNc1nccnc1-c1nn[n-]n1)COc1ccccc1Br ZINC000823689372 607032570 /nfs/dbraw/zinc/03/25/70/607032570.db2.gz FUBLTAFWRMLBJK-SECBINFHSA-N -1 1 392.217 1.271 20 0 GDADMM CCCc1c(C(=O)Nc2ncc(-c3nnn[n-]3)s2)[nH]c(C)c1C(=O)OC ZINC000821139411 607104053 /nfs/dbraw/zinc/10/40/53/607104053.db2.gz XYZBXEZJYVJKMA-UHFFFAOYSA-N -1 1 375.414 1.951 20 0 GDADMM CCCc1c(C(=O)Nc2ncc(-c3nn[n-]n3)s2)[nH]c(C)c1C(=O)OC ZINC000821139411 607104054 /nfs/dbraw/zinc/10/40/54/607104054.db2.gz XYZBXEZJYVJKMA-UHFFFAOYSA-N -1 1 375.414 1.951 20 0 GDADMM Cc1cc(=O)c(C(=O)Nc2ncc(-c3nnn[n-]3)s2)nn1-c1ccccc1 ZINC000822160737 607104695 /nfs/dbraw/zinc/10/46/95/607104695.db2.gz KMNFKZIHCSZXQQ-UHFFFAOYSA-N -1 1 380.393 1.430 20 0 GDADMM Cc1cc(=O)c(C(=O)Nc2ncc(-c3nn[n-]n3)s2)nn1-c1ccccc1 ZINC000822160737 607104696 /nfs/dbraw/zinc/10/46/96/607104696.db2.gz KMNFKZIHCSZXQQ-UHFFFAOYSA-N -1 1 380.393 1.430 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@H](C(=O)Nc2ncc(-c3nnn[n-]3)s2)C1 ZINC000819933103 607107338 /nfs/dbraw/zinc/10/73/38/607107338.db2.gz FXGJUPHXJMJWGO-VIFPVBQESA-N -1 1 379.446 1.909 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@H](C(=O)Nc2ncc(-c3nn[n-]n3)s2)C1 ZINC000819933103 607107340 /nfs/dbraw/zinc/10/73/40/607107340.db2.gz FXGJUPHXJMJWGO-VIFPVBQESA-N -1 1 379.446 1.909 20 0 GDADMM COC(=O)CCCCCCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821660626 607129252 /nfs/dbraw/zinc/12/92/52/607129252.db2.gz XXJXVGKPLFMEAF-UHFFFAOYSA-N -1 1 382.446 1.054 20 0 GDADMM COC(=O)CCCCCCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821660626 607129253 /nfs/dbraw/zinc/12/92/53/607129253.db2.gz XXJXVGKPLFMEAF-UHFFFAOYSA-N -1 1 382.446 1.054 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCc2ccc(F)c(F)c2C1 ZINC000823601193 607146173 /nfs/dbraw/zinc/14/61/73/607146173.db2.gz VONQXUAZSYKPRY-UHFFFAOYSA-N -1 1 378.364 1.287 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCc2ccc(F)c(F)c2C1 ZINC000823601193 607146176 /nfs/dbraw/zinc/14/61/76/607146176.db2.gz VONQXUAZSYKPRY-UHFFFAOYSA-N -1 1 378.364 1.287 20 0 GDADMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2)c1 ZINC000486822870 607153267 /nfs/dbraw/zinc/15/32/67/607153267.db2.gz KVCGYCRGJQXYKC-UHFFFAOYSA-N -1 1 393.450 1.461 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCOC3(CCCC3)C2)cc1-c1nn[n-]n1 ZINC000821976617 607166767 /nfs/dbraw/zinc/16/67/67/607166767.db2.gz BYTPISIKCUIMBK-SNVBAGLBSA-N -1 1 390.469 1.911 20 0 GDADMM COc1ccc(Br)c(CC(=O)n2ncc(-c3nn[n-]n3)c2N)c1 ZINC000821769065 607194480 /nfs/dbraw/zinc/19/44/80/607194480.db2.gz CLYROJRNBAYRRZ-UHFFFAOYSA-N -1 1 378.190 1.299 20 0 GDADMM Cc1ccn(-c2ccccc2CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)n1 ZINC000822369118 607195007 /nfs/dbraw/zinc/19/50/07/607195007.db2.gz BCCUISYBMPHFKL-UHFFFAOYSA-N -1 1 378.400 1.416 20 0 GDADMM Cc1ccn(-c2ccccc2CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)n1 ZINC000822369118 607195008 /nfs/dbraw/zinc/19/50/08/607195008.db2.gz BCCUISYBMPHFKL-UHFFFAOYSA-N -1 1 378.400 1.416 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC1(c2ccc(Br)cc2)CC1 ZINC000823125692 607209134 /nfs/dbraw/zinc/20/91/34/607209134.db2.gz BCNUCQKNYVBAAG-UHFFFAOYSA-N -1 1 389.217 1.026 20 0 GDADMM C[C@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(OCC(F)(F)F)cc1 ZINC000820333407 607210028 /nfs/dbraw/zinc/21/00/28/607210028.db2.gz AUGAKTOGTRHOQL-VIFPVBQESA-N -1 1 396.333 1.277 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCC1(c2cccc(Cl)c2)CCCC1 ZINC000823126060 607210441 /nfs/dbraw/zinc/21/04/41/607210441.db2.gz GTMGFPDAQXICQO-UHFFFAOYSA-N -1 1 386.847 1.740 20 0 GDADMM CN(Cc1ccccc1)c1ccccc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821614719 607211326 /nfs/dbraw/zinc/21/13/26/607211326.db2.gz RWWXLCHKWBFGIS-UHFFFAOYSA-N -1 1 389.423 1.733 20 0 GDADMM C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820295160 607212252 /nfs/dbraw/zinc/21/22/52/607212252.db2.gz ZPXLLGKLGCSLMZ-MRVPVSSYSA-N -1 1 381.227 1.512 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1nc2ccccc2n1-c1ccccc1 ZINC000823136018 607212888 /nfs/dbraw/zinc/21/28/88/607212888.db2.gz GJJDKYIQETVCFE-UHFFFAOYSA-N -1 1 386.379 1.436 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1nc2ccccc2n1C1CCCCC1 ZINC000823136060 607213236 /nfs/dbraw/zinc/21/32/36/607213236.db2.gz ICHSANLHPBIDEL-UHFFFAOYSA-N -1 1 392.427 1.952 20 0 GDADMM Cc1csc(Nc2ccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)cc2)n1 ZINC000822414837 607215279 /nfs/dbraw/zinc/21/52/79/607215279.db2.gz WKDNPUQHSYIHNK-UHFFFAOYSA-N -1 1 382.413 1.605 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccc(-c2ccc3c(c2)CCO3)n1 ZINC000823136228 607215618 /nfs/dbraw/zinc/21/56/18/607215618.db2.gz PGVBHTODSFGMQW-UHFFFAOYSA-N -1 1 389.379 1.094 20 0 GDADMM CC[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1nc(C(F)(F)F)cs1 ZINC000820915705 607220886 /nfs/dbraw/zinc/22/08/86/607220886.db2.gz WQRHZSVOUVWOPN-ZCFIWIBFSA-N -1 1 387.351 1.201 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CC(OCc2cccc3ccccc32)C1 ZINC000823122513 607221182 /nfs/dbraw/zinc/22/11/82/607221182.db2.gz DOLDGNOZCWVWHS-UHFFFAOYSA-N -1 1 390.407 1.039 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NC[C@H](Cc1ccccc1)c1ccccc1 ZINC000823126985 607222021 /nfs/dbraw/zinc/22/20/21/607222021.db2.gz PYEJWIJKDVKVQR-KRWDZBQOSA-N -1 1 388.435 1.601 20 0 GDADMM Nc1cc(Br)cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826395828 607804948 /nfs/dbraw/zinc/80/49/48/607804948.db2.gz USRQMPMALFZWHF-UHFFFAOYSA-N -1 1 375.186 1.963 20 0 GDADMM Nc1cc(Br)cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826395828 607804949 /nfs/dbraw/zinc/80/49/49/607804949.db2.gz USRQMPMALFZWHF-UHFFFAOYSA-N -1 1 375.186 1.963 20 0 GDADMM O=C(C(C1CC1)C1CC1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000826396893 607805093 /nfs/dbraw/zinc/80/50/93/607805093.db2.gz NQZUALLZHIEDGS-UHFFFAOYSA-N -1 1 383.456 1.817 20 0 GDADMM O=C1OCc2ccc(S(=O)(=O)Oc3cccc(F)c3-c3nnn[n-]3)cc21 ZINC000826483649 607867453 /nfs/dbraw/zinc/86/74/53/607867453.db2.gz VCMRDUCJXUHLNX-UHFFFAOYSA-N -1 1 376.325 1.444 20 0 GDADMM O=C1OCc2ccc(S(=O)(=O)Oc3cccc(F)c3-c3nn[n-]n3)cc21 ZINC000826483649 607867454 /nfs/dbraw/zinc/86/74/54/607867454.db2.gz VCMRDUCJXUHLNX-UHFFFAOYSA-N -1 1 376.325 1.444 20 0 GDADMM CS(=O)(=O)c1ccccc1S(=O)(=O)Oc1cccc(F)c1-c1nnn[n-]1 ZINC000826224220 607867671 /nfs/dbraw/zinc/86/76/71/607867671.db2.gz VDMPARAEVWKURQ-UHFFFAOYSA-N -1 1 398.397 1.177 20 0 GDADMM CS(=O)(=O)c1ccccc1S(=O)(=O)Oc1cccc(F)c1-c1nn[n-]n1 ZINC000826224220 607867672 /nfs/dbraw/zinc/86/76/72/607867672.db2.gz VDMPARAEVWKURQ-UHFFFAOYSA-N -1 1 398.397 1.177 20 0 GDADMM O=C(CNc1cccc(-c2nnn[n-]2)n1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000826414195 607898214 /nfs/dbraw/zinc/89/82/14/607898214.db2.gz JSXXRHSPOYSEPN-UHFFFAOYSA-N -1 1 398.858 1.676 20 0 GDADMM O=C(CNc1cccc(-c2nn[n-]n2)n1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000826414195 607898215 /nfs/dbraw/zinc/89/82/15/607898215.db2.gz JSXXRHSPOYSEPN-UHFFFAOYSA-N -1 1 398.858 1.676 20 0 GDADMM COc1cc(OC)cc(N2CC[C@@H](N(C)c3cccc(-c4nnn[n-]4)n3)C2=O)c1 ZINC000826181434 607901004 /nfs/dbraw/zinc/90/10/04/607901004.db2.gz ZGFWCGTVQLOMCK-MRXNPFEDSA-N -1 1 395.423 1.521 20 0 GDADMM COc1cc(OC)cc(N2CC[C@@H](N(C)c3cccc(-c4nn[n-]n4)n3)C2=O)c1 ZINC000826181434 607901005 /nfs/dbraw/zinc/90/10/05/607901005.db2.gz ZGFWCGTVQLOMCK-MRXNPFEDSA-N -1 1 395.423 1.521 20 0 GDADMM O=C([N-]c1ncn(Cc2ccc(-c3nn[nH]n3)cc2)n1)c1nc(Cl)ccc1F ZINC000826460803 607987434 /nfs/dbraw/zinc/98/74/34/607987434.db2.gz SQKXAFPXUOZVNH-UHFFFAOYSA-N -1 1 399.777 1.946 20 0 GDADMM CCC[C@@H]1CN(CC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)CCO1 ZINC000825255869 607992886 /nfs/dbraw/zinc/99/28/86/607992886.db2.gz ZCTVETHEAIHNTD-OAHLLOKOSA-N -1 1 396.455 1.492 20 0 GDADMM CCC[C@@H]1CN(CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)CCO1 ZINC000825255869 607992887 /nfs/dbraw/zinc/99/28/87/607992887.db2.gz ZCTVETHEAIHNTD-OAHLLOKOSA-N -1 1 396.455 1.492 20 0 GDADMM CN(C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)[C@@H]1CCNC1=O ZINC000825820633 607993630 /nfs/dbraw/zinc/99/36/30/607993630.db2.gz NGUPMGVPHSODRP-CYBMUJFWSA-N -1 1 397.464 1.625 20 0 GDADMM COC(=O)[C@H]1CCCC[C@@]1(C)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826134590 608000645 /nfs/dbraw/zinc/00/06/45/608000645.db2.gz YYWSPBJUIAFATE-QLJPJBMISA-N -1 1 397.432 1.406 20 0 GDADMM COC(=O)[C@H]1CCCC[C@@]1(C)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826134590 608000646 /nfs/dbraw/zinc/00/06/46/608000646.db2.gz YYWSPBJUIAFATE-QLJPJBMISA-N -1 1 397.432 1.406 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc(Cl)cc2Br)c1=O ZINC000826357261 608096282 /nfs/dbraw/zinc/09/62/82/608096282.db2.gz XWTDSZYRTJHBAO-UHFFFAOYSA-N -1 1 397.620 1.191 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000826341171 608107004 /nfs/dbraw/zinc/10/70/04/608107004.db2.gz YWYRYVDSBNWEQN-WMLDXEAASA-N -1 1 390.403 1.947 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000826341171 608107005 /nfs/dbraw/zinc/10/70/05/608107005.db2.gz YWYRYVDSBNWEQN-WMLDXEAASA-N -1 1 390.403 1.947 20 0 GDADMM O=C(O[C@@H]1CCCN(c2ccccc2F)C1=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826462320 608116657 /nfs/dbraw/zinc/11/66/57/608116657.db2.gz VCOYXAJJJOFUHM-OAHLLOKOSA-N -1 1 382.355 1.753 20 0 GDADMM O=C(O[C@@H]1CCCN(c2ccccc2F)C1=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826462320 608116658 /nfs/dbraw/zinc/11/66/58/608116658.db2.gz VCOYXAJJJOFUHM-OAHLLOKOSA-N -1 1 382.355 1.753 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@]1(C)CCO[C@H]1C1CC1 ZINC000826232602 608140648 /nfs/dbraw/zinc/14/06/48/608140648.db2.gz AARNWENFHHYWQS-QFBILLFUSA-N -1 1 386.456 1.591 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H](CO)C1CCCCC1 ZINC000826233169 608187302 /nfs/dbraw/zinc/18/73/02/608187302.db2.gz WNFINOHDKDANMI-HNNXBMFYSA-N -1 1 388.472 1.574 20 0 GDADMM Cc1ccc2ncnc(N3CCN(c4nccnc4-c4nnn[n-]4)C[C@H]3C)c2c1 ZINC000826295635 608189198 /nfs/dbraw/zinc/18/91/98/608189198.db2.gz QPUBODRFDZOVKS-CYBMUJFWSA-N -1 1 388.439 1.623 20 0 GDADMM Cc1ccc2ncnc(N3CCN(c4nccnc4-c4nn[n-]n4)C[C@H]3C)c2c1 ZINC000826295635 608189200 /nfs/dbraw/zinc/18/92/00/608189200.db2.gz QPUBODRFDZOVKS-CYBMUJFWSA-N -1 1 388.439 1.623 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OC[C@@]1(C)CCOC1 ZINC000826328632 608200514 /nfs/dbraw/zinc/20/05/14/608200514.db2.gz YBQLQRKXHAOVCC-SFHVURJKSA-N -1 1 385.428 1.429 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OC[C@@]1(C)CCOC1 ZINC000826328632 608200516 /nfs/dbraw/zinc/20/05/16/608200516.db2.gz YBQLQRKXHAOVCC-SFHVURJKSA-N -1 1 385.428 1.429 20 0 GDADMM C[C@@H](CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000824385059 608210565 /nfs/dbraw/zinc/21/05/65/608210565.db2.gz KSAXERWYURYFMR-NSHDSACASA-N -1 1 386.435 1.896 20 0 GDADMM C[C@@H](CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000824385059 608210567 /nfs/dbraw/zinc/21/05/67/608210567.db2.gz KSAXERWYURYFMR-NSHDSACASA-N -1 1 386.435 1.896 20 0 GDADMM CCN(CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccccc1 ZINC000825394492 608210909 /nfs/dbraw/zinc/21/09/09/608210909.db2.gz FEBYWBBKVSCGBL-UHFFFAOYSA-N -1 1 383.460 1.090 20 0 GDADMM CCN(CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccccc1 ZINC000825394492 608210911 /nfs/dbraw/zinc/21/09/11/608210911.db2.gz FEBYWBBKVSCGBL-UHFFFAOYSA-N -1 1 383.460 1.090 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C(C)(C)c1cccc(F)c1 ZINC000825923509 608211486 /nfs/dbraw/zinc/21/14/86/608211486.db2.gz KVJMJQKYYMHIGI-UHFFFAOYSA-N -1 1 386.435 1.680 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C(C)(C)c1cccc(F)c1 ZINC000825923509 608211488 /nfs/dbraw/zinc/21/14/88/608211488.db2.gz KVJMJQKYYMHIGI-UHFFFAOYSA-N -1 1 386.435 1.680 20 0 GDADMM Cc1cc(F)cc2[nH]c(C(=O)N(C)CCCc3[nH]nc(N)c3-c3nnn[n-]3)cc21 ZINC000826268271 608211887 /nfs/dbraw/zinc/21/18/87/608211887.db2.gz QMNFIDJUHUKPGY-UHFFFAOYSA-N -1 1 397.418 1.806 20 0 GDADMM Cc1cc(F)cc2[nH]c(C(=O)N(C)CCCc3[nH]nc(N)c3-c3nn[n-]n3)cc21 ZINC000826268271 608211889 /nfs/dbraw/zinc/21/18/89/608211889.db2.gz QMNFIDJUHUKPGY-UHFFFAOYSA-N -1 1 397.418 1.806 20 0 GDADMM CCCN(C)c1ccc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000825307889 608212851 /nfs/dbraw/zinc/21/28/51/608212851.db2.gz QIASVRIYYBJJID-UHFFFAOYSA-N -1 1 397.487 1.723 20 0 GDADMM CCCN(C)c1ccc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000825307889 608212852 /nfs/dbraw/zinc/21/28/52/608212852.db2.gz QIASVRIYYBJJID-UHFFFAOYSA-N -1 1 397.487 1.723 20 0 GDADMM O=S(=O)(N[C@@H](c1ccccc1)[C@@H]1CCOC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826487592 608248247 /nfs/dbraw/zinc/24/82/47/608248247.db2.gz SWZYEVCHXBRRMO-CJNGLKHVSA-N -1 1 386.437 1.318 20 0 GDADMM O=S(=O)(N[C@@H](c1ccccc1)[C@@H]1CCOC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826487592 608248248 /nfs/dbraw/zinc/24/82/48/608248248.db2.gz SWZYEVCHXBRRMO-CJNGLKHVSA-N -1 1 386.437 1.318 20 0 GDADMM C[C@@]1(NS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CCCOC1 ZINC000824836757 608250801 /nfs/dbraw/zinc/25/08/01/608250801.db2.gz CRNULTHVDXJESF-CYBMUJFWSA-N -1 1 391.375 1.733 20 0 GDADMM Cc1oc(NC(=O)COC(=O)c2ccc(N)c(Cl)n2)c(-c2nn[n-]n2)c1C ZINC000826342285 608255938 /nfs/dbraw/zinc/25/59/38/608255938.db2.gz DOFYQJSILYFPDR-UHFFFAOYSA-N -1 1 391.775 1.503 20 0 GDADMM C[C@@H]1CCCC[C@H]1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824936994 608351412 /nfs/dbraw/zinc/35/14/12/608351412.db2.gz NYSVLGWZUXZNHO-NEPJUHHUSA-N -1 1 388.476 1.699 20 0 GDADMM C[C@@H]1CCCC[C@H]1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824936994 608351413 /nfs/dbraw/zinc/35/14/13/608351413.db2.gz NYSVLGWZUXZNHO-NEPJUHHUSA-N -1 1 388.476 1.699 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N2CC[C@@H](c3ccco3)C2)n1 ZINC000824141048 608353120 /nfs/dbraw/zinc/35/31/20/608353120.db2.gz BKDBQCJJQUVSGS-LLVKDONJSA-N -1 1 398.427 1.366 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N2CC[C@@H](c3ccco3)C2)n1 ZINC000824141048 608353123 /nfs/dbraw/zinc/35/31/23/608353123.db2.gz BKDBQCJJQUVSGS-LLVKDONJSA-N -1 1 398.427 1.366 20 0 GDADMM C[C@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)C1CCCCC1 ZINC000824471183 608354385 /nfs/dbraw/zinc/35/43/85/608354385.db2.gz PCDYIOHYUUYPNW-NSHDSACASA-N -1 1 388.476 1.842 20 0 GDADMM C[C@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)C1CCCCC1 ZINC000824471183 608354387 /nfs/dbraw/zinc/35/43/87/608354387.db2.gz PCDYIOHYUUYPNW-NSHDSACASA-N -1 1 388.476 1.842 20 0 GDADMM CC[C@@]1(C)CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000825164710 608354924 /nfs/dbraw/zinc/35/49/24/608354924.db2.gz HBSPRTVJMHAZLS-SFHVURJKSA-N -1 1 388.476 1.795 20 0 GDADMM CC[C@@]1(C)CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000825164710 608354926 /nfs/dbraw/zinc/35/49/26/608354926.db2.gz HBSPRTVJMHAZLS-SFHVURJKSA-N -1 1 388.476 1.795 20 0 GDADMM c1ccc(-c2noc(CN3CCN(c4ccc(-c5nnn[n-]5)nn4)CC3)n2)cc1 ZINC000826519640 608397204 /nfs/dbraw/zinc/39/72/04/608397204.db2.gz HSQWQCJAKPPSLT-UHFFFAOYSA-N -1 1 390.411 1.029 20 0 GDADMM c1ccc(-c2noc(CN3CCN(c4ccc(-c5nn[n-]n5)nn4)CC3)n2)cc1 ZINC000826519640 608397205 /nfs/dbraw/zinc/39/72/05/608397205.db2.gz HSQWQCJAKPPSLT-UHFFFAOYSA-N -1 1 390.411 1.029 20 0 GDADMM Cc1cccc(OCCNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000826300080 608408922 /nfs/dbraw/zinc/40/89/22/608408922.db2.gz HWOZNCVEAROIAE-UHFFFAOYSA-N -1 1 399.459 1.133 20 0 GDADMM Cc1cccc(OCCNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000826300080 608408923 /nfs/dbraw/zinc/40/89/23/608408923.db2.gz HWOZNCVEAROIAE-UHFFFAOYSA-N -1 1 399.459 1.133 20 0 GDADMM O=C(c1ccc(F)cc1Cl)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826473356 608409159 /nfs/dbraw/zinc/40/91/59/608409159.db2.gz USYOFHJTTSWSAO-UHFFFAOYSA-N -1 1 388.794 1.412 20 0 GDADMM O=C(c1ccc(F)cc1Cl)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826473356 608409160 /nfs/dbraw/zinc/40/91/60/608409160.db2.gz USYOFHJTTSWSAO-UHFFFAOYSA-N -1 1 388.794 1.412 20 0 GDADMM Cc1ccc2c(n1)OCCN2S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826293916 608424896 /nfs/dbraw/zinc/42/48/96/608424896.db2.gz DYGNKOCGJHEUCJ-UHFFFAOYSA-N -1 1 376.373 1.297 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)NCCc2cnccn2)c1-c1nn[n-]n1 ZINC000826231414 608432495 /nfs/dbraw/zinc/43/24/95/608432495.db2.gz KMJQBPOKYIKKQR-UHFFFAOYSA-N -1 1 382.453 1.624 20 0 GDADMM OC[C@H](CNc1ccc(-c2nnn[n-]2)nn1)Cc1ccc(C(F)(F)F)cc1 ZINC000826507588 608434716 /nfs/dbraw/zinc/43/47/16/608434716.db2.gz RJPVZQQJRVWFAC-NSHDSACASA-N -1 1 379.346 1.939 20 0 GDADMM OC[C@H](CNc1ccc(-c2nn[n-]n2)nn1)Cc1ccc(C(F)(F)F)cc1 ZINC000826507588 608434717 /nfs/dbraw/zinc/43/47/17/608434717.db2.gz RJPVZQQJRVWFAC-NSHDSACASA-N -1 1 379.346 1.939 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC1C[C@@H](C)O[C@H](C)C1 ZINC000826328547 608491365 /nfs/dbraw/zinc/49/13/65/608491365.db2.gz VIRKVCQSQNIBQK-GHMZBOCLSA-N -1 1 398.471 1.531 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC1C[C@@H](C)O[C@H](C)C1 ZINC000826328547 608491367 /nfs/dbraw/zinc/49/13/67/608491367.db2.gz VIRKVCQSQNIBQK-GHMZBOCLSA-N -1 1 398.471 1.531 20 0 GDADMM COc1cccc(C(=O)N2CCN(c3nc(-c4nnn[n-]4)ccc3C)CC2)c1 ZINC000826213598 608542202 /nfs/dbraw/zinc/54/22/02/608542202.db2.gz DECIFTBMUBDRAI-UHFFFAOYSA-N -1 1 379.424 1.541 20 0 GDADMM COc1cccc(C(=O)N2CCN(c3nc(-c4nn[n-]n4)ccc3C)CC2)c1 ZINC000826213598 608542205 /nfs/dbraw/zinc/54/22/05/608542205.db2.gz DECIFTBMUBDRAI-UHFFFAOYSA-N -1 1 379.424 1.541 20 0 GDADMM Cc1ccc(-c2nn[n-]n2)nc1NCC[C@@](O)(c1nccn1C)C(F)(F)F ZINC000826280747 608542969 /nfs/dbraw/zinc/54/29/69/608542969.db2.gz OBPIHYUCRPMJFF-CQSZACIVSA-N -1 1 382.350 1.556 20 0 GDADMM C[C@@H](c1ccccc1)[C@](C)(O)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824772616 608555955 /nfs/dbraw/zinc/55/59/55/608555955.db2.gz VSVZSKMXQOAPQF-BUXKBTBVSA-N -1 1 398.471 1.118 20 0 GDADMM C[C@@H](c1ccccc1)[C@](C)(O)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824772616 608555957 /nfs/dbraw/zinc/55/59/57/608555957.db2.gz VSVZSKMXQOAPQF-BUXKBTBVSA-N -1 1 398.471 1.118 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)COC/C=C\c1ccccc1 ZINC000825930089 608556720 /nfs/dbraw/zinc/55/67/20/608556720.db2.gz PMZNJVQTERBUEM-TWGQIWQCSA-N -1 1 396.455 1.293 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)COC/C=C\c1ccccc1 ZINC000825930089 608556722 /nfs/dbraw/zinc/55/67/22/608556722.db2.gz PMZNJVQTERBUEM-TWGQIWQCSA-N -1 1 396.455 1.293 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCc2ccccc2[C@H]1CO ZINC000826496105 608566252 /nfs/dbraw/zinc/56/62/52/608566252.db2.gz KZHQVCYBATUWOQ-CQSZACIVSA-N -1 1 389.412 1.286 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCc2ccccc2[C@H]1CO ZINC000826496105 608566254 /nfs/dbraw/zinc/56/62/54/608566254.db2.gz KZHQVCYBATUWOQ-CQSZACIVSA-N -1 1 389.412 1.286 20 0 GDADMM COc1cc(F)cc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826180212 608757503 /nfs/dbraw/zinc/75/75/03/608757503.db2.gz XWOVCMSOTVIPDV-UHFFFAOYSA-N -1 1 381.364 1.632 20 0 GDADMM COc1cc(F)cc(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826180212 608757504 /nfs/dbraw/zinc/75/75/04/608757504.db2.gz XWOVCMSOTVIPDV-UHFFFAOYSA-N -1 1 381.364 1.632 20 0 GDADMM Brc1ccc(-c2noc(Cn3ccnc3-c3nnn[n-]3)n2)s1 ZINC000823826859 608893421 /nfs/dbraw/zinc/89/34/21/608893421.db2.gz PWGXGGMGASEMBE-UHFFFAOYSA-N -1 1 379.203 1.986 20 0 GDADMM Brc1ccc(-c2noc(Cn3ccnc3-c3nn[n-]n3)n2)s1 ZINC000823826859 608893425 /nfs/dbraw/zinc/89/34/25/608893425.db2.gz PWGXGGMGASEMBE-UHFFFAOYSA-N -1 1 379.203 1.986 20 0 GDADMM Cc1cn2cc(NC(=O)N(C)CCCc3[nH]nc(N)c3-c3nn[n-]n3)ccc2n1 ZINC000826317003 609157472 /nfs/dbraw/zinc/15/74/72/609157472.db2.gz IOQBGFMKAABJFX-UHFFFAOYSA-N -1 1 395.431 1.225 20 0 GDADMM CCS(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000825668353 609234351 /nfs/dbraw/zinc/23/43/51/609234351.db2.gz DTXFHPFAXPMJNR-UHFFFAOYSA-N -1 1 377.451 1.652 20 0 GDADMM CCS(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000825668353 609234353 /nfs/dbraw/zinc/23/43/53/609234353.db2.gz DTXFHPFAXPMJNR-UHFFFAOYSA-N -1 1 377.451 1.652 20 0 GDADMM O=C(NCCSCc1ccnc(Cl)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826439564 609263422 /nfs/dbraw/zinc/26/34/22/609263422.db2.gz ZYTBALKQOCXMBR-UHFFFAOYSA-N -1 1 375.845 1.973 20 0 GDADMM O=C(NCCSCc1ccnc(Cl)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826439564 609263424 /nfs/dbraw/zinc/26/34/24/609263424.db2.gz ZYTBALKQOCXMBR-UHFFFAOYSA-N -1 1 375.845 1.973 20 0 GDADMM CC1CCC2(CC1)OC[C@@H](CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)O2 ZINC000824918382 609270960 /nfs/dbraw/zinc/27/09/60/609270960.db2.gz PSVMGLLEMQKOGR-NOEPWBJOSA-N -1 1 376.421 1.044 20 0 GDADMM CC1CCC2(CC1)OC[C@@H](CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)O2 ZINC000824918382 609270961 /nfs/dbraw/zinc/27/09/61/609270961.db2.gz PSVMGLLEMQKOGR-NOEPWBJOSA-N -1 1 376.421 1.044 20 0 GDADMM CN(C)c1ncccc1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825887042 609288972 /nfs/dbraw/zinc/28/89/72/609288972.db2.gz BTGJRNRLEVPACI-UHFFFAOYSA-N -1 1 393.386 1.905 20 0 GDADMM O=C(COC[C@@H]1CCCO1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826416681 609289535 /nfs/dbraw/zinc/28/95/35/609289535.db2.gz KKLOLOSNHOFGGM-NSHDSACASA-N -1 1 387.375 1.326 20 0 GDADMM CN(C)c1cc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)ccn1 ZINC000825875562 609290768 /nfs/dbraw/zinc/29/07/68/609290768.db2.gz STWWLSAXGJMHAH-UHFFFAOYSA-N -1 1 393.386 1.905 20 0 GDADMM CCC(=O)N1CC[C@H](C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1 ZINC000825034053 609292658 /nfs/dbraw/zinc/29/26/58/609292658.db2.gz DIXRUJUKOPBAMF-NSHDSACASA-N -1 1 398.402 1.389 20 0 GDADMM Cc1ccc2c(c1)CC[C@@H]2NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826294682 609301416 /nfs/dbraw/zinc/30/14/16/609301416.db2.gz YQYKPGBYIWUUEK-AWEZNQCLSA-N -1 1 395.471 1.742 20 0 GDADMM Cc1ccc2c(c1)CC[C@@H]2NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826294682 609301417 /nfs/dbraw/zinc/30/14/17/609301417.db2.gz YQYKPGBYIWUUEK-AWEZNQCLSA-N -1 1 395.471 1.742 20 0 GDADMM C[C@@]1(CNC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CCCO1 ZINC000824823482 609355662 /nfs/dbraw/zinc/35/56/62/609355662.db2.gz OCHIXDSHVDOUNZ-KRWDZBQOSA-N -1 1 386.391 1.882 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N1CCc2c[nH]nc2C1 ZINC000826458224 609367070 /nfs/dbraw/zinc/36/70/70/609367070.db2.gz IHINNAQPQGFGES-UHFFFAOYSA-N -1 1 394.374 1.505 20 0 GDADMM C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)[C@@H]1C ZINC000824945454 609367805 /nfs/dbraw/zinc/36/78/05/609367805.db2.gz CTEZIQVDOUYFQN-GHMZBOCLSA-N -1 1 398.402 1.387 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)n1 ZINC000826356659 609382056 /nfs/dbraw/zinc/38/20/56/609382056.db2.gz ACAABZKOHXXOKD-GFCCVEGCSA-N -1 1 397.447 1.287 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)n1 ZINC000826356659 609382058 /nfs/dbraw/zinc/38/20/58/609382058.db2.gz ACAABZKOHXXOKD-GFCCVEGCSA-N -1 1 397.447 1.287 20 0 GDADMM CC(=O)N1Cc2ccccc2C[C@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823987699 609384917 /nfs/dbraw/zinc/38/49/17/609384917.db2.gz BCUZBTZEWUSBMC-KRWDZBQOSA-N -1 1 378.392 1.278 20 0 GDADMM CC(=O)N1Cc2ccccc2C[C@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823987699 609384918 /nfs/dbraw/zinc/38/49/18/609384918.db2.gz BCUZBTZEWUSBMC-KRWDZBQOSA-N -1 1 378.392 1.278 20 0 GDADMM COc1ccc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)nc1Br ZINC000826187103 609393733 /nfs/dbraw/zinc/39/37/33/609393733.db2.gz ADRHEPHSQSMKMB-UHFFFAOYSA-N -1 1 379.178 1.019 20 0 GDADMM COc1ccc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)nc1Br ZINC000826187103 609393735 /nfs/dbraw/zinc/39/37/35/609393735.db2.gz ADRHEPHSQSMKMB-UHFFFAOYSA-N -1 1 379.178 1.019 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@@H](CO)C2CCCCC2)cc1-c1nn[n-]n1 ZINC000826229585 609406260 /nfs/dbraw/zinc/40/62/60/609406260.db2.gz JQVIULYTUJJOCM-LBPRGKRZSA-N -1 1 378.458 1.360 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1nnc(Cc2ccccc2)s1 ZINC000825938089 609524343 /nfs/dbraw/zinc/52/43/43/609524343.db2.gz OIWFWMNJYZSIDD-UHFFFAOYSA-N -1 1 396.484 1.683 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1nnc(Cc2ccccc2)s1 ZINC000825938089 609524345 /nfs/dbraw/zinc/52/43/45/609524345.db2.gz OIWFWMNJYZSIDD-UHFFFAOYSA-N -1 1 396.484 1.683 20 0 GDADMM CO[C@@H](C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)c1ccccc1 ZINC000826166541 609628285 /nfs/dbraw/zinc/62/82/85/609628285.db2.gz POSJPLYUUHNHKN-OAHLLOKOSA-N -1 1 385.380 1.946 20 0 GDADMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H](S(C)(=O)=O)C2)o1 ZINC000530879692 649982947 /nfs/dbraw/zinc/98/29/47/649982947.db2.gz MNIYVWZEOOHDGS-WDEREUQCSA-N -1 1 379.456 1.090 20 0 GDADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@H]2C[C@H]2C)c(OC)c1 ZINC000534144144 650219328 /nfs/dbraw/zinc/21/93/28/650219328.db2.gz ATEHWMWCYYKQOX-VXGBXAGGSA-N -1 1 376.500 1.781 20 0 GDADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](CO)C(C)C)c(OC)c1 ZINC000534900677 650234457 /nfs/dbraw/zinc/23/44/57/650234457.db2.gz NOLSOQOOPQDMRR-CYBMUJFWSA-N -1 1 394.515 1.142 20 0 GDADMM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H](CC(F)F)C(=O)OC)s1 ZINC000535619587 650251348 /nfs/dbraw/zinc/25/13/48/650251348.db2.gz DKRNQHHBRUONIO-LURJTMIESA-N -1 1 387.382 1.018 20 0 GDADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(CC)CCCO)c(OC)c1 ZINC000535619210 650251396 /nfs/dbraw/zinc/25/13/96/650251396.db2.gz ZEQJWLLLDCATGF-UHFFFAOYSA-N -1 1 394.515 1.240 20 0 GDADMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2nc(-c3ccncc3)cs2)co1 ZINC000535881776 650259277 /nfs/dbraw/zinc/25/92/77/650259277.db2.gz XBLLMEVMCNZPJQ-UHFFFAOYSA-N -1 1 378.435 1.636 20 0 GDADMM Cc1nc(SCC(=O)NCCCN(C(C)C)S(C)(=O)=O)[n-]c(=O)c1C ZINC000537413094 650291798 /nfs/dbraw/zinc/29/17/98/650291798.db2.gz DRSLQLOZYPAPTA-UHFFFAOYSA-N -1 1 390.531 1.067 20 0 GDADMM Cc1ccc(S(N)(=O)=O)cc1NC(=O)CSc1nc(C)c(C)c(=O)[n-]1 ZINC000537414758 650291932 /nfs/dbraw/zinc/29/19/32/650291932.db2.gz SZUAZUUVMCULDB-UHFFFAOYSA-N -1 1 382.467 1.486 20 0 GDADMM COCc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000538136833 650307275 /nfs/dbraw/zinc/30/72/75/650307275.db2.gz FWBIROMHRPIWEC-UHFFFAOYSA-N -1 1 384.479 1.884 20 0 GDADMM COc1cc(Cl)c(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])cc1OC ZINC000538605303 650315156 /nfs/dbraw/zinc/31/51/56/650315156.db2.gz RPVXBOMSENSNNY-UHFFFAOYSA-N -1 1 386.813 1.963 20 0 GDADMM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)cccc1S(N)(=O)=O ZINC000538939225 650325945 /nfs/dbraw/zinc/32/59/45/650325945.db2.gz SLDDGLRGEFUJMT-UHFFFAOYSA-N -1 1 382.463 1.768 20 0 GDADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)c(F)c2)cc1C ZINC000540038517 650347404 /nfs/dbraw/zinc/34/74/04/650347404.db2.gz GYBGGKURFGDFQL-UHFFFAOYSA-N -1 1 388.442 1.981 20 0 GDADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)Cn1cc(Br)cn1 ZINC000540252303 650353848 /nfs/dbraw/zinc/35/38/48/650353848.db2.gz JLXLAXPRAUAOLJ-UHFFFAOYSA-N -1 1 391.222 1.795 20 0 GDADMM C[C@@H](c1ccc(Br)cc1)N1CCN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC000543437676 650422493 /nfs/dbraw/zinc/42/24/93/650422493.db2.gz ONNLMSFVZNOONK-LBPRGKRZSA-N -1 1 380.290 1.750 20 0 GDADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2CCO[C@H](C3CC3)C2)c(F)c1 ZINC000545202318 650451512 /nfs/dbraw/zinc/45/15/12/650451512.db2.gz LDZAYQKIFQDJDX-JSGCOSHPSA-N -1 1 392.474 1.433 20 0 GDADMM O=S(=O)([N-]C[C@H](O)COc1ccccc1)c1ccc(Br)o1 ZINC000546778285 650485852 /nfs/dbraw/zinc/48/58/52/650485852.db2.gz XDCFLFCATGIEOR-JTQLQIEISA-N -1 1 376.228 1.760 20 0 GDADMM O=C(CNC(=O)c1cc(=O)n2[n-]cnc2n1)Nc1cc(Cl)ccc1Cl ZINC000546787334 650486344 /nfs/dbraw/zinc/48/63/44/650486344.db2.gz IZPWUXNCUXPRPY-UHFFFAOYSA-N -1 1 381.179 1.093 20 0 GDADMM CCOCCOC1CN(C(=O)c2ccc(I)c([O-])c2)C1 ZINC000546916851 650490277 /nfs/dbraw/zinc/49/02/77/650490277.db2.gz SWUHNVKHLXUKOH-UHFFFAOYSA-N -1 1 391.205 1.874 20 0 GDADMM CCOCCS(=O)(=O)[N-]Cc1nc([C@H](C)c2c(F)cccc2F)no1 ZINC000547130633 650492168 /nfs/dbraw/zinc/49/21/68/650492168.db2.gz ULPJWAKNZTVOLJ-SNVBAGLBSA-N -1 1 375.397 1.956 20 0 GDADMM O=C(CNC(=O)c1ccc(Br)cc1)NC1(c2nn[n-]n2)CCCC1 ZINC000547455604 650498453 /nfs/dbraw/zinc/49/84/53/650498453.db2.gz CGLJCGSHCORITG-UHFFFAOYSA-N -1 1 393.245 1.278 20 0 GDADMM CCc1ccc([C@@H](NS(=O)(=O)c2csnc2C(=O)OC)C(=O)[O-])cc1 ZINC000548204653 650535176 /nfs/dbraw/zinc/53/51/76/650535176.db2.gz JDATUJKCURWKRR-GFCCVEGCSA-N -1 1 384.435 1.596 20 0 GDADMM O=C(c1cnn2cc(Br)cnc12)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000550102077 650588861 /nfs/dbraw/zinc/58/88/61/650588861.db2.gz YQEBHAYKYUHBAC-UHFFFAOYSA-N -1 1 393.201 1.600 20 0 GDADMM COCC1(NC(=O)c2cc(I)ccc2[O-])CCOCC1 ZINC000554357312 650674024 /nfs/dbraw/zinc/67/40/24/650674024.db2.gz OFFAKGHOBGAZEI-UHFFFAOYSA-N -1 1 391.205 1.922 20 0 GDADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC[C@@H](C)F)c(OC)c1 ZINC000555412597 650690483 /nfs/dbraw/zinc/69/04/83/650690483.db2.gz DBNFAXIEIHACFX-LLVKDONJSA-N -1 1 382.479 1.873 20 0 GDADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C(=O)NC(N)=O)c1 ZINC000555426067 650691060 /nfs/dbraw/zinc/69/10/60/650691060.db2.gz IGACNUPVFYRUDZ-UHFFFAOYSA-N -1 1 383.407 1.364 20 0 GDADMM CC[C@]([N-]S(=O)(=O)C[C@H](C)C(=O)OC)(C(=O)OC)c1ccc(Cl)cc1 ZINC000556819702 650712074 /nfs/dbraw/zinc/71/20/74/650712074.db2.gz UWUPRYYAFPSFLB-MEDUHNTESA-N -1 1 391.873 1.847 20 0 GDADMM C[S@](=O)Cc1ccccc1[N-]S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000563924349 650743544 /nfs/dbraw/zinc/74/35/44/650743544.db2.gz HJTCNRSYKZGSJA-QFIPXVFZSA-N -1 1 388.492 1.013 20 0 GDADMM C[C@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC1CCC1)C(C)(F)F ZINC000565229513 650786490 /nfs/dbraw/zinc/78/64/90/650786490.db2.gz ILWNDAPTWMPFPV-JTQLQIEISA-N -1 1 382.454 1.839 20 0 GDADMM O=S(=O)([N-]c1cnc[nH]1)c1ccc(S(=O)(=O)N[C@H]2C=CCCC2)cc1 ZINC000565228588 650785996 /nfs/dbraw/zinc/78/59/96/650785996.db2.gz JQAKCVUEJMTMSJ-LBPRGKRZSA-N -1 1 382.467 1.598 20 0 GDADMM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3nn(C)cc3Br)cc12 ZINC000566229618 650836686 /nfs/dbraw/zinc/83/66/86/650836686.db2.gz WALYZMCIJSFSDL-UHFFFAOYSA-N -1 1 385.247 1.574 20 0 GDADMM C#Cc1cccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)c1 ZINC000045800197 644355326 /nfs/dbraw/zinc/35/53/26/644355326.db2.gz QGZXPLZQBIVMBZ-UHFFFAOYSA-N -1 1 376.459 1.909 20 0 GDADMM Cn1c(Cc2csc(NC(=O)CNC(=O)c3ccsc3)n2)n[n-]c1=S ZINC000055196361 644469112 /nfs/dbraw/zinc/46/91/12/644469112.db2.gz ZTSGIFBHOPIVPT-UHFFFAOYSA-N -1 1 394.507 1.955 20 0 GDADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CC(=O)Nc1ccc(F)c(F)c1 ZINC000055958338 644476121 /nfs/dbraw/zinc/47/61/21/644476121.db2.gz FUCUKDKRKHGQPQ-UHFFFAOYSA-N -1 1 378.788 1.577 20 0 GDADMM CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NCc1n[n-]c(=S)n1CC ZINC000066636347 644545954 /nfs/dbraw/zinc/54/59/54/644545954.db2.gz CGYPMHHZRMFKRH-NSHDSACASA-N -1 1 375.520 1.171 20 0 GDADMM C[C@@H](CS(C)(=O)=O)[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000083972630 644589173 /nfs/dbraw/zinc/58/91/73/644589173.db2.gz SQYKOZDCWAGWNB-LURJTMIESA-N -1 1 391.696 1.209 20 0 GDADMM C[C@@H](Cc1ccco1)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000116786179 644647231 /nfs/dbraw/zinc/64/72/31/644647231.db2.gz JNNXVINRERJKQR-JTQLQIEISA-N -1 1 376.431 1.700 20 0 GDADMM Cc1nc2[n-]cnn2c(=O)c1CCOC(=O)c1cc(Br)cs1 ZINC000124263318 644705863 /nfs/dbraw/zinc/70/58/63/644705863.db2.gz HRDTYDMSCJGSRF-UHFFFAOYSA-N -1 1 383.227 1.950 20 0 GDADMM C[C@H]1CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2c[nH]cn2)C[C@H](C)S1 ZINC000568253123 650944772 /nfs/dbraw/zinc/94/47/72/650944772.db2.gz FPZUEMAZUJGJHN-RYUDHWBXSA-N -1 1 396.560 1.087 20 0 GDADMM C[C@@H]1CC[C@H](NS(=O)(=O)CCCCS(=O)(=O)[N-]c2c[nH]cn2)C[C@@H]1C ZINC000568254023 650945550 /nfs/dbraw/zinc/94/55/50/650945550.db2.gz LJUWRBTZMXHZOP-RDBSUJKOSA-N -1 1 392.547 1.676 20 0 GDADMM C[C@@H]1CC[C@]2(CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c3c[nH]cn3)C2)C1 ZINC000568255196 650946396 /nfs/dbraw/zinc/94/63/96/650946396.db2.gz QAJZRUBDURJVFF-HIFRSBDPSA-N -1 1 390.531 1.383 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)[N-]CCc2cccnc2)c(Br)o1 ZINC000154468152 644804644 /nfs/dbraw/zinc/80/46/44/644804644.db2.gz LIJWDWGHSDRBIO-UHFFFAOYSA-N -1 1 389.227 1.745 20 0 GDADMM CNC(=O)N[N-]S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000161596227 644854675 /nfs/dbraw/zinc/85/46/75/644854675.db2.gz DLILMZINPZOJJY-UHFFFAOYSA-N -1 1 376.154 1.590 20 0 GDADMM Cc1nc(S(=O)(=O)[N-][C@@](C)(CO)c2ccccc2)c(Br)n1C ZINC000319068973 645250616 /nfs/dbraw/zinc/25/06/16/645250616.db2.gz JHCFQKGJFXSFTP-AWEZNQCLSA-N -1 1 388.287 1.677 20 0 GDADMM Cc1nc(S(=O)(=O)[N-][C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)sc1C ZINC000328935343 645289737 /nfs/dbraw/zinc/28/97/37/645289737.db2.gz FPCWQQBWCQQGPX-BXUZGUMPSA-N -1 1 383.499 1.134 20 0 GDADMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000329864615 645333639 /nfs/dbraw/zinc/33/36/39/645333639.db2.gz ZTUCBIXFNMHYAK-CHWSQXEVSA-N -1 1 388.852 2.081 20 0 GDADMM CCOc1cc(C(=O)N2CCN(S(=O)(=O)CC)CC2)cc(Cl)c1[O-] ZINC000330883181 645433077 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/nfs/dbraw/zinc/62/20/43/659622043.db2.gz KDMPIWQEVVYRFW-KBPBESRZSA-N -1 1 388.486 1.724 20 0 GDADMM CS[C@H]1CN(S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)C[C@H]1N1CCCC1 ZINC000906935674 659622346 /nfs/dbraw/zinc/62/23/46/659622346.db2.gz TVJKOHWVDVUIHJ-HIFRSBDPSA-N -1 1 386.495 1.291 20 0 GDADMM O=S(=O)([N-][C@@H](CO)CC(F)F)c1ccc(I)s1 ZINC000907154407 659683902 /nfs/dbraw/zinc/68/39/02/659683902.db2.gz QCTRMVNZXOMPKZ-RXMQYKEDSA-N -1 1 397.206 1.647 20 0 GDADMM O=S(=O)([N-][C@@H](CO)CCF)c1ccc(I)s1 ZINC000907265012 659713048 /nfs/dbraw/zinc/71/30/48/659713048.db2.gz OSNOLEJTYYSLLL-ZCFIWIBFSA-N -1 1 379.216 1.352 20 0 GDADMM Nc1c[nH]nc1[C@@H]1CCN(C(=O)c2ccc(I)cc2[O-])C1 ZINC000907425523 659749836 /nfs/dbraw/zinc/74/98/36/659749836.db2.gz WMODAELBMJQMDS-MRVPVSSYSA-N -1 1 398.204 1.932 20 0 GDADMM CC(C)n1ncc(C(=O)N2CCSC[C@H]2c2nn[n-]n2)c1Br ZINC000907477151 659759702 /nfs/dbraw/zinc/75/97/02/659759702.db2.gz RFAWYRWTSFKGIL-VIFPVBQESA-N -1 1 386.279 1.670 20 0 GDADMM COc1cc(C(=O)N2CCSC[C@H]2c2nn[n-]n2)ccc1Br ZINC000907483184 659761847 /nfs/dbraw/zinc/76/18/47/659761847.db2.gz VOGPROKXQCCWAI-JTQLQIEISA-N -1 1 384.259 1.901 20 0 GDADMM CCO[C@]12CCC[C@@]1([N-]S(=O)(=O)C[C@]1(OC(C)C)CCOC1)CCO2 ZINC000908018747 659856084 /nfs/dbraw/zinc/85/60/84/659856084.db2.gz OQNQJTSOZPUKBP-BBWFWOEESA-N -1 1 377.503 1.566 20 0 GDADMM COc1nn(C)cc1C[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000908072708 659865006 /nfs/dbraw/zinc/86/50/06/659865006.db2.gz SSUAIOHAGYXDGL-UHFFFAOYSA-N -1 1 396.213 1.948 20 0 GDADMM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H]1CCc2ncc(Br)n2C1 ZINC000908625463 659928253 /nfs/dbraw/zinc/92/82/53/659928253.db2.gz MKVJWZONFGVRAS-SECBINFHSA-N -1 1 399.336 1.303 20 0 GDADMM O=C([O-])[C@@H]1CCCN(CC(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000908809681 659932650 /nfs/dbraw/zinc/93/26/50/659932650.db2.gz OTOHIFRNSUDGNF-YGRLFVJLSA-N -1 1 375.252 1.940 20 0 GDADMM CCC[C@](C)(NC(=O)c1cnc(I)c(O)c1)C(=O)[O-] ZINC000908866984 659933857 /nfs/dbraw/zinc/93/38/57/659933857.db2.gz 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GDADMM O=C(c1c(Br)nc2n1CCCC2)N1CCC(c2nn[n-]n2)CC1 ZINC000913746358 660095419 /nfs/dbraw/zinc/09/54/19/660095419.db2.gz PVZJSGVOHSFNIA-UHFFFAOYSA-N -1 1 380.250 1.515 20 0 GDADMM CC(C)C[C@H](NCC(F)(F)F)C(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000913781664 660096922 /nfs/dbraw/zinc/09/69/22/660096922.db2.gz VSTLTZZPQRRZQE-JTQLQIEISA-N -1 1 377.329 1.690 20 0 GDADMM COc1nn2cc(Br)cnc2c1S(=O)(=O)[N-]C[C@H]1C[C@@H]1C ZINC000913923656 660105499 /nfs/dbraw/zinc/10/54/99/660105499.db2.gz WUEUDWZXIIMBDK-JGVFFNPUSA-N -1 1 375.248 1.435 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](C)c2nncn2C)c1F ZINC000913929121 660105604 /nfs/dbraw/zinc/10/56/04/660105604.db2.gz KTKLEAYNHMPSQU-ZETCQYMHSA-N -1 1 393.238 1.765 20 0 GDADMM CCc1nn(C)c(OC)c1C[N-]S(=O)(=O)c1occc1Br ZINC000914323659 660139541 /nfs/dbraw/zinc/13/95/41/660139541.db2.gz XXQDZJFLABRUHR-UHFFFAOYSA-N -1 1 378.248 1.825 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2C(=O)NCC[C@H]2C)c1F ZINC000915225572 660164980 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GDADMM CC[C@](NC(=O)NC[C@H]1CN(C)CCN1C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000908985065 939365343 /nfs/dbraw/zinc/36/53/43/939365343.db2.gz JINVXDYADXPFPI-MAUKXSAKSA-N -1 1 382.892 1.575 20 0 GDADMM C[C@@H](CN1CCOCC1)C(=O)N[C@H](C(=O)[O-])c1ccccc1OC(F)(F)F ZINC000910939038 939762348 /nfs/dbraw/zinc/76/23/48/939762348.db2.gz AIFLBGLZJBGLJV-FZMZJTMJSA-N -1 1 390.358 1.795 20 0 GDADMM CN(C[C@H]1CCCN(C(=O)c2cc(F)c[nH]2)C1)c1nccnc1-c1nnn[n-]1 ZINC001571258519 945355594 /nfs/dbraw/zinc/35/55/94/945355594.db2.gz UWJDDBWMMLGKQY-LLVKDONJSA-N -1 1 385.407 1.113 20 0 GDADMM CN(C[C@H]1CCCN(C(=O)c2cc(F)c[nH]2)C1)c1nccnc1-c1nn[n-]n1 ZINC001571258519 945355605 /nfs/dbraw/zinc/35/56/05/945355605.db2.gz UWJDDBWMMLGKQY-LLVKDONJSA-N -1 1 385.407 1.113 20 0 GDADMM O=C([O-])c1ccccc1CNC(=O)CNS(=O)(=O)c1c(F)cccc1F ZINC001601326574 970977723 /nfs/dbraw/zinc/97/77/23/970977723.db2.gz ACFQFCMJRMELJH-UHFFFAOYSA-N -1 1 384.360 1.258 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1nccs1 ZINC001571261651 945429173 /nfs/dbraw/zinc/42/91/73/945429173.db2.gz HUCSWQHZZXBNTK-MNOVXSKESA-N -1 1 385.457 1.147 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1nccs1 ZINC001571261651 945429178 /nfs/dbraw/zinc/42/91/78/945429178.db2.gz HUCSWQHZZXBNTK-MNOVXSKESA-N -1 1 385.457 1.147 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)CCc3nccs3)C2)n1 ZINC001571262181 945435985 /nfs/dbraw/zinc/43/59/85/945435985.db2.gz NOROQOQKQYDAFW-NSHDSACASA-N -1 1 385.457 1.067 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)CCc3nccs3)C2)n1 ZINC001571262181 945435988 /nfs/dbraw/zinc/43/59/88/945435988.db2.gz NOROQOQKQYDAFW-NSHDSACASA-N -1 1 385.457 1.067 20 0 GDADMM CCc1ncsc1C(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571262395 945436580 /nfs/dbraw/zinc/43/65/80/945436580.db2.gz ROPLQSCNFSQRGX-UHFFFAOYSA-N -1 1 385.457 1.074 20 0 GDADMM Cc1nscc1C(=O)N1CCCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571262926 945445742 /nfs/dbraw/zinc/44/57/42/945445742.db2.gz CIDWMXTURSNQLE-LLVKDONJSA-N -1 1 385.457 1.528 20 0 GDADMM Cc1nscc1C(=O)N1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571262926 945445751 /nfs/dbraw/zinc/44/57/51/945445751.db2.gz CIDWMXTURSNQLE-LLVKDONJSA-N -1 1 385.457 1.528 20 0 GDADMM Cc1nsc(NC[C@@H]2CC[C@H](NC(=O)c3ccnnc3)C2)c1-c1nn[n-]n1 ZINC001571263127 945452072 /nfs/dbraw/zinc/45/20/72/945452072.db2.gz IBWHLWPXPOPVCM-PWSUYJOCSA-N -1 1 385.457 1.432 20 0 GDADMM Cc1nsc(N[C@H]2CCCN(C(=O)c3cc(C)ncn3)C2)c1-c1nn[n-]n1 ZINC001571263185 945452325 /nfs/dbraw/zinc/45/23/25/945452325.db2.gz JQEHJXIRIKKMIN-NSHDSACASA-N -1 1 385.457 1.447 20 0 GDADMM O=C(Cc1cncs1)N1CCC(CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571263265 945453519 /nfs/dbraw/zinc/45/35/19/945453519.db2.gz LMCKMTCLBSENER-UHFFFAOYSA-N -1 1 385.457 1.006 20 0 GDADMM O=C(Cc1cncs1)N1CCC(CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571263265 945453525 /nfs/dbraw/zinc/45/35/25/945453525.db2.gz LMCKMTCLBSENER-UHFFFAOYSA-N -1 1 385.457 1.006 20 0 GDADMM O=C(Cc1cscn1)N[C@H]1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571263367 945457804 /nfs/dbraw/zinc/45/78/04/945457804.db2.gz NYGWMJIHDLDFJY-MNOVXSKESA-N -1 1 385.457 1.053 20 0 GDADMM O=C(Cc1cscn1)N[C@H]1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571263367 945457810 /nfs/dbraw/zinc/45/78/10/945457810.db2.gz NYGWMJIHDLDFJY-MNOVXSKESA-N -1 1 385.457 1.053 20 0 GDADMM O=C(CCc1nccs1)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571263503 945459813 /nfs/dbraw/zinc/45/98/13/945459813.db2.gz RSSLUVMZXQZRIQ-LLVKDONJSA-N -1 1 385.457 1.149 20 0 GDADMM O=C(CCc1nccs1)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571263503 945459821 /nfs/dbraw/zinc/45/98/21/945459821.db2.gz RSSLUVMZXQZRIQ-LLVKDONJSA-N -1 1 385.457 1.149 20 0 GDADMM CO[C@@H](C(=O)N1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)CC1)C(C)C ZINC001571265370 945509237 /nfs/dbraw/zinc/50/92/37/945509237.db2.gz IMGHCCBTGZKMHD-SNVBAGLBSA-N -1 1 385.881 1.296 20 0 GDADMM C[C@@]1(NC(=O)c2cc(F)cc(F)c2)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571267404 945569973 /nfs/dbraw/zinc/56/99/73/945569973.db2.gz TVSCOFFPTPPMMT-QGZVFWFLSA-N -1 1 386.366 1.334 20 0 GDADMM C[C@@]1(NC(=O)c2cc(F)cc(F)c2)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571267404 945569978 /nfs/dbraw/zinc/56/99/78/945569978.db2.gz TVSCOFFPTPPMMT-QGZVFWFLSA-N -1 1 386.366 1.334 20 0 GDADMM O=C(Cc1c(F)cccc1F)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571267572 945572693 /nfs/dbraw/zinc/57/26/93/945572693.db2.gz YWGIYULGQRLOJK-SNVBAGLBSA-N -1 1 386.366 1.190 20 0 GDADMM O=C(Cc1c(F)cccc1F)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571267572 945572703 /nfs/dbraw/zinc/57/27/03/945572703.db2.gz YWGIYULGQRLOJK-SNVBAGLBSA-N -1 1 386.366 1.190 20 0 GDADMM O=C(NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)c1cc(F)cc(F)c1 ZINC001571267563 945573200 /nfs/dbraw/zinc/57/32/00/945573200.db2.gz YQLVIFWPAISIBW-ZDUSSCGKSA-N -1 1 386.366 1.334 20 0 GDADMM O=C(NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)c1cc(F)cc(F)c1 ZINC001571267563 945573208 /nfs/dbraw/zinc/57/32/08/945573208.db2.gz YQLVIFWPAISIBW-ZDUSSCGKSA-N -1 1 386.366 1.334 20 0 GDADMM CCC1(CC)[C@@H](OC)C[C@@H]1N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820958451 945598034 /nfs/dbraw/zinc/59/80/34/945598034.db2.gz VMYONSNASJHHRE-KBPBESRZSA-N -1 1 380.474 1.476 20 0 GDADMM CCC1(CC)[C@@H](OC)C[C@@H]1N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820958451 945598041 /nfs/dbraw/zinc/59/80/41/945598041.db2.gz VMYONSNASJHHRE-KBPBESRZSA-N -1 1 380.474 1.476 20 0 GDADMM COc1cc(C(=O)N[C@H]2C[C@H](Nc3snc(C)c3-c3nn[n-]n3)C2)ccn1 ZINC001571269891 945627838 /nfs/dbraw/zinc/62/78/38/945627838.db2.gz GWHFJLULMSLGOB-XYPYZODXSA-N -1 1 386.441 1.408 20 0 GDADMM COCc1sccc1C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571270034 945630077 /nfs/dbraw/zinc/63/00/77/945630077.db2.gz LBODZNYJOPHLHN-MGCOHNPYSA-N -1 1 386.441 1.238 20 0 GDADMM COCc1sccc1C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571270034 945630080 /nfs/dbraw/zinc/63/00/80/945630080.db2.gz LBODZNYJOPHLHN-MGCOHNPYSA-N -1 1 386.441 1.238 20 0 GDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H]1CN(C(=O)c2cccs2)CCO1 ZINC001571270459 945637068 /nfs/dbraw/zinc/63/70/68/945637068.db2.gz UAECBFDMOQVXEW-ZYHUDNBSSA-N -1 1 386.441 1.060 20 0 GDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H]1CN(C(=O)c2cccs2)CCO1 ZINC001571270459 945637070 /nfs/dbraw/zinc/63/70/70/945637070.db2.gz UAECBFDMOQVXEW-ZYHUDNBSSA-N -1 1 386.441 1.060 20 0 GDADMM COc1csc(C(=O)N2CC[C@@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)c1 ZINC001571270660 945640566 /nfs/dbraw/zinc/64/05/66/945640566.db2.gz YEJZHNYJACTFHB-SNVBAGLBSA-N -1 1 386.441 1.362 20 0 GDADMM COc1csc(C(=O)N2CC[C@@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)c1 ZINC001571270660 945640568 /nfs/dbraw/zinc/64/05/68/945640568.db2.gz YEJZHNYJACTFHB-SNVBAGLBSA-N -1 1 386.441 1.362 20 0 GDADMM O=C(C[C@H]1CCCOC1)N1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571272193 945655342 /nfs/dbraw/zinc/65/53/42/945655342.db2.gz AUYBZARPWJMRDA-KGLIPLIRSA-N -1 1 386.460 1.266 20 0 GDADMM O=C(C[C@H]1CCCOC1)N1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571272193 945655347 /nfs/dbraw/zinc/65/53/47/945655347.db2.gz AUYBZARPWJMRDA-KGLIPLIRSA-N -1 1 386.460 1.266 20 0 GDADMM O=C(C[C@@H]1CCOC1)N[C@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001571272605 945668160 /nfs/dbraw/zinc/66/81/60/945668160.db2.gz FXNATQFZTAYWMO-IHRRRGAJSA-N -1 1 386.460 1.170 20 0 GDADMM O=C(C[C@@H]1CCOC1)N[C@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001571272605 945668162 /nfs/dbraw/zinc/66/81/62/945668162.db2.gz FXNATQFZTAYWMO-IHRRRGAJSA-N -1 1 386.460 1.170 20 0 GDADMM NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001571272748 945670180 /nfs/dbraw/zinc/67/01/80/945670180.db2.gz ZHTSKHRPCJJVES-GFCCVEGCSA-N -1 1 386.803 1.133 20 0 GDADMM NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001571272748 945670183 /nfs/dbraw/zinc/67/01/83/945670183.db2.gz ZHTSKHRPCJJVES-GFCCVEGCSA-N -1 1 386.803 1.133 20 0 GDADMM CO[C@@H](C(=O)N1CCC([C@@H](C)Nc2nccnc2-c2nnn[n-]2)CC1)C1CC1 ZINC001571273075 945677459 /nfs/dbraw/zinc/67/74/59/945677459.db2.gz ONPQQEBGFLMVHD-IAQYHMDHSA-N -1 1 386.460 1.121 20 0 GDADMM CO[C@@H](C(=O)N1CCC([C@@H](C)Nc2nccnc2-c2nn[n-]n2)CC1)C1CC1 ZINC001571273075 945677466 /nfs/dbraw/zinc/67/74/66/945677466.db2.gz ONPQQEBGFLMVHD-IAQYHMDHSA-N -1 1 386.460 1.121 20 0 GDADMM CCc1nc(NC[C@H]2CN(C(=O)CCC3CC3)CCO2)cc(-c2nnn[n-]2)n1 ZINC001571273039 945678082 /nfs/dbraw/zinc/67/80/82/945678082.db2.gz NROLLUBCBRSWLT-ZDUSSCGKSA-N -1 1 386.460 1.049 20 0 GDADMM CCc1nc(NC[C@H]2CN(C(=O)CCC3CC3)CCO2)cc(-c2nn[n-]n2)n1 ZINC001571273039 945678085 /nfs/dbraw/zinc/67/80/85/945678085.db2.gz NROLLUBCBRSWLT-ZDUSSCGKSA-N -1 1 386.460 1.049 20 0 GDADMM O=C(COC1CCCCC1)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571273120 945679176 /nfs/dbraw/zinc/67/91/76/945679176.db2.gz POJFSQIILZDABG-CYBMUJFWSA-N -1 1 386.460 1.409 20 0 GDADMM O=C(COC1CCCCC1)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571273120 945679180 /nfs/dbraw/zinc/67/91/80/945679180.db2.gz POJFSQIILZDABG-CYBMUJFWSA-N -1 1 386.460 1.409 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)[C@@H]2CN(C(=O)C3CCCC3)CCO2)n1 ZINC001571273198 945681203 /nfs/dbraw/zinc/68/12/03/945681203.db2.gz SJLRHGSIDLGPRJ-WFASDCNBSA-N -1 1 386.460 1.183 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)[C@@H]2CN(C(=O)C3CCCC3)CCO2)n1 ZINC001571273198 945681211 /nfs/dbraw/zinc/68/12/11/945681211.db2.gz SJLRHGSIDLGPRJ-WFASDCNBSA-N -1 1 386.460 1.183 20 0 GDADMM O=C(C[C@@H]1CCCCO1)N[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571273267 945683334 /nfs/dbraw/zinc/68/33/34/945683334.db2.gz UIJRMHCTUIJRHD-IHRRRGAJSA-N -1 1 386.460 1.455 20 0 GDADMM O=C(C[C@@H]1CCCCO1)N[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571273267 945683335 /nfs/dbraw/zinc/68/33/35/945683335.db2.gz UIJRMHCTUIJRHD-IHRRRGAJSA-N -1 1 386.460 1.455 20 0 GDADMM Cc1nsc(N[C@@H]2CCN(C(=O)C3(C(F)(F)F)CC3)C2)c1-c1nn[n-]n1 ZINC001571275131 945702858 /nfs/dbraw/zinc/70/28/58/945702858.db2.gz PYDCRPNSQUITCF-MRVPVSSYSA-N -1 1 387.391 1.987 20 0 GDADMM CC1(C(=O)N2CCC[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)CCOCC1 ZINC001571275721 945713562 /nfs/dbraw/zinc/71/35/62/945713562.db2.gz BIIFXKPVNKCQIF-ZDUSSCGKSA-N -1 1 386.460 1.124 20 0 GDADMM CC1(C(=O)N2CCC[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)CCOCC1 ZINC001571275721 945713564 /nfs/dbraw/zinc/71/35/64/945713564.db2.gz BIIFXKPVNKCQIF-ZDUSSCGKSA-N -1 1 386.460 1.124 20 0 GDADMM CC1(C)CN(C(=O)CC[C@H]2CCCO2)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571275878 945718910 /nfs/dbraw/zinc/71/89/10/945718910.db2.gz DWISDRJUDMDUFI-OCCSQVGLSA-N -1 1 386.460 1.265 20 0 GDADMM CC1(C)CN(C(=O)CC[C@H]2CCCO2)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571275878 945718913 /nfs/dbraw/zinc/71/89/13/945718913.db2.gz DWISDRJUDMDUFI-OCCSQVGLSA-N -1 1 386.460 1.265 20 0 GDADMM CC(C)[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H](Nc3nccnc3-c3nnn[n-]3)C2)CCO1 ZINC001571276053 945722903 /nfs/dbraw/zinc/72/29/03/945722903.db2.gz GHAIUGJHVOONPE-XDQVBPFNSA-N -1 1 386.460 1.167 20 0 GDADMM CC(C)[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H](Nc3nccnc3-c3nn[n-]n3)C2)CCO1 ZINC001571276053 945722910 /nfs/dbraw/zinc/72/29/10/945722910.db2.gz GHAIUGJHVOONPE-XDQVBPFNSA-N -1 1 386.460 1.167 20 0 GDADMM COC(=O)C[C@H](NC(=O)c1csc(-c2nn[n-]n2)c1)c1ccc(OC)cc1 ZINC001571276167 945725484 /nfs/dbraw/zinc/72/54/84/945725484.db2.gz DMFIRGLUUWXXCQ-ZDUSSCGKSA-N -1 1 387.421 1.971 20 0 GDADMM CCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCN(C(=O)[C@@H]2CO[C@@H](C)C2)CC1 ZINC001571276100 945725562 /nfs/dbraw/zinc/72/55/62/945725562.db2.gz HDLVMDLLHJGDFC-STQMWFEESA-N -1 1 386.460 1.265 20 0 GDADMM CCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCN(C(=O)[C@@H]2CO[C@@H](C)C2)CC1 ZINC001571276100 945725568 /nfs/dbraw/zinc/72/55/68/945725568.db2.gz HDLVMDLLHJGDFC-STQMWFEESA-N -1 1 386.460 1.265 20 0 GDADMM CC1(C(=O)N2CCO[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CCCCC1 ZINC001571277494 945743217 /nfs/dbraw/zinc/74/32/17/945743217.db2.gz KWVDYZXXPBYAMC-ZDUSSCGKSA-N -1 1 386.460 1.266 20 0 GDADMM CC1(C(=O)N2CCO[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CCCCC1 ZINC001571277494 945743224 /nfs/dbraw/zinc/74/32/24/945743224.db2.gz KWVDYZXXPBYAMC-ZDUSSCGKSA-N -1 1 386.460 1.266 20 0 GDADMM CC(=O)N1CCC([C@@H]2OCCC[C@@H]2Nc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001571278628 945755591 /nfs/dbraw/zinc/75/55/91/945755591.db2.gz POOSOZMHAHELRP-HOCLYGCPSA-N -1 1 386.460 1.183 20 0 GDADMM CC(=O)N1CCC([C@@H]2OCCC[C@@H]2Nc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001571278628 945755597 /nfs/dbraw/zinc/75/55/97/945755597.db2.gz POOSOZMHAHELRP-HOCLYGCPSA-N -1 1 386.460 1.183 20 0 GDADMM CCC1(C(=O)N2CC[C@@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)CCOCC1 ZINC001571279602 945782168 /nfs/dbraw/zinc/78/21/68/945782168.db2.gz WNRUDJZMGJWUCK-CYBMUJFWSA-N -1 1 386.460 1.185 20 0 GDADMM CCC1(C(=O)N2CC[C@@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)CCOCC1 ZINC001571279602 945782176 /nfs/dbraw/zinc/78/21/76/945782176.db2.gz WNRUDJZMGJWUCK-CYBMUJFWSA-N -1 1 386.460 1.185 20 0 GDADMM Cc1c[nH]c(C(=O)N[C@@H]2CC[C@H](C)N(c3snc(C)c3-c3nn[n-]n3)C2)n1 ZINC001571281713 945810081 /nfs/dbraw/zinc/81/00/81/945810081.db2.gz MIMJYNMTXJNIBN-GXSJLCMTSA-N -1 1 387.473 1.450 20 0 GDADMM Cc1n[nH]cc1C(=O)N1CC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)[C@H](C)C1 ZINC001571282170 945832136 /nfs/dbraw/zinc/83/21/36/945832136.db2.gz SXVMSULCGWPNLG-PRHODGIISA-N -1 1 387.473 1.626 20 0 GDADMM Cc1c[nH]cc1C(=O)NC[C@@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001571282445 945846758 /nfs/dbraw/zinc/84/67/58/945846758.db2.gz YTIUIYVPWGJDCP-GFCCVEGCSA-N -1 1 387.469 1.196 20 0 GDADMM CC(=O)N1c2ccccc2C[C@H]1C(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573454563 945880548 /nfs/dbraw/zinc/88/05/48/945880548.db2.gz ZKNNDPICXKABKO-JTQLQIEISA-N -1 1 389.828 1.893 20 0 GDADMM CC1(C)CN(C(=O)c2ccc(Cl)[nH]2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571283217 945880619 /nfs/dbraw/zinc/88/06/19/945880619.db2.gz BXSQJSSXEDRATQ-NSHDSACASA-N -1 1 387.835 1.601 20 0 GDADMM CC1(C)CN(C(=O)c2ccc(Cl)[nH]2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571283217 945880628 /nfs/dbraw/zinc/88/06/28/945880628.db2.gz BXSQJSSXEDRATQ-NSHDSACASA-N -1 1 387.835 1.601 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)NCC2(O)CCOCC2)c1-c1nn[n-]n1 ZINC000821990084 945914118 /nfs/dbraw/zinc/91/41/18/945914118.db2.gz PRRYTQKDQKGQHG-UHFFFAOYSA-N -1 1 390.469 1.132 20 0 GDADMM O=C(c1ccc(Cl)[nH]1)N1CCCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571285665 945923144 /nfs/dbraw/zinc/92/31/44/945923144.db2.gz LIJIASAVOHRVHU-SNVBAGLBSA-N -1 1 387.835 1.745 20 0 GDADMM O=C(c1ccc(Cl)[nH]1)N1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571285665 945923150 /nfs/dbraw/zinc/92/31/50/945923150.db2.gz LIJIASAVOHRVHU-SNVBAGLBSA-N -1 1 387.835 1.745 20 0 GDADMM O=C(NC[C@H]1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1sccc1F ZINC001571288765 945993185 /nfs/dbraw/zinc/99/31/85/945993185.db2.gz SZWXTWPFUAVONW-VHSXEESVSA-N -1 1 388.432 1.868 20 0 GDADMM O=C(NC[C@H]1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1sccc1F ZINC001571288765 945993197 /nfs/dbraw/zinc/99/31/97/945993197.db2.gz SZWXTWPFUAVONW-VHSXEESVSA-N -1 1 388.432 1.868 20 0 GDADMM Cc1nsc(NC2CCC(N(C)C(=O)c3cn[nH]n3)CC2)c1-c1nn[n-]n1 ZINC001571289362 946004743 /nfs/dbraw/zinc/00/47/43/946004743.db2.gz AOCDWHAPTUIBTJ-UHFFFAOYSA-N -1 1 388.461 1.245 20 0 GDADMM Cc1nc(C(=O)N2CCC[C@@H](CNc3snc(C)c3-c3nn[n-]n3)C2)co1 ZINC001571289440 946007853 /nfs/dbraw/zinc/00/78/53/946007853.db2.gz DLCKXMOJEBDPAS-NSHDSACASA-N -1 1 388.457 1.892 20 0 GDADMM CCc1nc(C(=O)N[C@H]2CCN(c3snc(C)c3-c3nn[n-]n3)C2)c(C)o1 ZINC001571289545 946010652 /nfs/dbraw/zinc/01/06/52/946010652.db2.gz HFXWEVFHHUGSQO-JTQLQIEISA-N -1 1 388.457 1.499 20 0 GDADMM O=C([C@@H]1CC[C@H](F)C1)N1CCC(CCNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571289579 946012667 /nfs/dbraw/zinc/01/26/67/946012667.db2.gz ICSGFCQFTUKMGX-KGLIPLIRSA-N -1 1 388.451 1.836 20 0 GDADMM O=C([C@@H]1CC[C@H](F)C1)N1CCC(CCNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571289579 946012674 /nfs/dbraw/zinc/01/26/74/946012674.db2.gz ICSGFCQFTUKMGX-KGLIPLIRSA-N -1 1 388.451 1.836 20 0 GDADMM CCc1nc(N[C@H]2CCN(C(=O)CC(C)(C)O)[C@@H](C)C2)cc(-c2nnn[n-]2)n1 ZINC001571289836 946019672 /nfs/dbraw/zinc/01/96/72/946019672.db2.gz NORCLRWHONSGME-RYUDHWBXSA-N -1 1 388.476 1.172 20 0 GDADMM CCc1nc(N[C@H]2CCN(C(=O)CC(C)(C)O)[C@@H](C)C2)cc(-c2nn[n-]n2)n1 ZINC001571289836 946019686 /nfs/dbraw/zinc/01/96/86/946019686.db2.gz NORCLRWHONSGME-RYUDHWBXSA-N -1 1 388.476 1.172 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H](CO)CC1CCCC1 ZINC001571289854 946020977 /nfs/dbraw/zinc/02/09/77/946020977.db2.gz NYIHMBACVHHOOU-CQSZACIVSA-N -1 1 388.472 1.574 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)CC1)[C@@H]1CC[C@H](F)C1 ZINC001571289841 946021036 /nfs/dbraw/zinc/02/10/36/946021036.db2.gz NQDUOMWRMDPFNG-YIYPIFLZSA-N -1 1 388.451 1.882 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)CC1)[C@@H]1CC[C@H](F)C1 ZINC001571289841 946021049 /nfs/dbraw/zinc/02/10/49/946021049.db2.gz NQDUOMWRMDPFNG-YIYPIFLZSA-N -1 1 388.451 1.882 20 0 GDADMM Cc1nsc(N2CC[C@@H](NC(=O)c3ncoc3C)C[C@@H]2C)c1-c1nn[n-]n1 ZINC001571290057 946027528 /nfs/dbraw/zinc/02/75/28/946027528.db2.gz UEPKWPMBRXPHDC-GZMMTYOYSA-N -1 1 388.457 1.715 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccc(F)cc1Cl ZINC001571290361 946039334 /nfs/dbraw/zinc/03/93/34/946039334.db2.gz BXFAINKPOUMWML-AOOOYVTPSA-N -1 1 388.794 1.822 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccc(F)cc1Cl ZINC001571290361 946039348 /nfs/dbraw/zinc/03/93/48/946039348.db2.gz BXFAINKPOUMWML-AOOOYVTPSA-N -1 1 388.794 1.822 20 0 GDADMM CS[C@H](C)C(=O)N1C[C@@]2(C)CN(c3cncc(-c4nnn[n-]4)n3)C[C@@]2(C)C1 ZINC001571290603 946047031 /nfs/dbraw/zinc/04/70/31/946047031.db2.gz JWRAKLNMKFNXCQ-LQAWEQHXSA-N -1 1 388.501 1.083 20 0 GDADMM CS[C@H](C)C(=O)N1C[C@@]2(C)CN(c3cncc(-c4nn[n-]n4)n3)C[C@@]2(C)C1 ZINC001571290603 946047045 /nfs/dbraw/zinc/04/70/45/946047045.db2.gz JWRAKLNMKFNXCQ-LQAWEQHXSA-N -1 1 388.501 1.083 20 0 GDADMM CCN(C(=O)c1nonc1C)[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571293131 946096067 /nfs/dbraw/zinc/09/60/67/946096067.db2.gz AGLFZZPPDJVPSP-SNVBAGLBSA-N -1 1 389.445 1.064 20 0 GDADMM Cc1nsc(N2CCCCC[C@@H]2CNC(=O)c2cnon2)c1-c1nn[n-]n1 ZINC001571293269 946101076 /nfs/dbraw/zinc/10/10/76/946101076.db2.gz CVOOBZNOSNVSKK-SNVBAGLBSA-N -1 1 389.445 1.194 20 0 GDADMM Cc1nsc(NC[C@H]2CN(C(=O)c3cnon3)CC[C@H]2C)c1-c1nn[n-]n1 ZINC001571293509 946107910 /nfs/dbraw/zinc/10/79/10/946107910.db2.gz KBHOCOKFEGVZRF-SCZZXKLOSA-N -1 1 389.445 1.225 20 0 GDADMM O=C(C[C@H]1CCCC1(F)F)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1 ZINC001571294212 946128425 /nfs/dbraw/zinc/12/84/25/946128425.db2.gz BBKMJXUCPUPPAF-WOPDTQHZSA-N -1 1 390.398 1.272 20 0 GDADMM O=C(C[C@H]1CCCC1(F)F)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1 ZINC001571294212 946128428 /nfs/dbraw/zinc/12/84/28/946128428.db2.gz BBKMJXUCPUPPAF-WOPDTQHZSA-N -1 1 390.398 1.272 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H](c2nccn2C)c2cccc(F)c2)n1 ZINC000822609811 946137880 /nfs/dbraw/zinc/13/78/80/946137880.db2.gz VWOCLFJOXVFENJ-CYBMUJFWSA-N -1 1 396.390 1.384 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H](c2nccn2C)c2cccc(F)c2)n1 ZINC000822609811 946137887 /nfs/dbraw/zinc/13/78/87/946137887.db2.gz VWOCLFJOXVFENJ-CYBMUJFWSA-N -1 1 396.390 1.384 20 0 GDADMM CN(C(=O)[C@@H]1CC1(F)F)[C@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571294975 946149477 /nfs/dbraw/zinc/14/94/77/946149477.db2.gz RJUMSJMNELGPHN-BQBZGAKWSA-N -1 1 389.819 1.669 20 0 GDADMM Cc1nsc(N2CC[C@@H]3[C@@H]2CCCN3C(=O)[C@@H]2CCOC2)c1-c1nn[n-]n1 ZINC001571295225 946156968 /nfs/dbraw/zinc/15/69/68/946156968.db2.gz QJPUBHFPOYEFFD-FRRDWIJNSA-N -1 1 389.485 1.238 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1coc(C(F)F)c1 ZINC001571295366 946162598 /nfs/dbraw/zinc/16/25/98/946162598.db2.gz YYEAECFCJTXVJD-WAAGHKOSSA-N -1 1 390.354 1.808 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1coc(C(F)F)c1 ZINC001571295366 946162601 /nfs/dbraw/zinc/16/26/01/946162601.db2.gz YYEAECFCJTXVJD-WAAGHKOSSA-N -1 1 390.354 1.808 20 0 GDADMM O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001571295907 946178793 /nfs/dbraw/zinc/17/87/93/946178793.db2.gz IZYKWRZVZGEMER-UHFFFAOYSA-N -1 1 390.407 1.617 20 0 GDADMM O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001571295907 946178799 /nfs/dbraw/zinc/17/87/99/946178799.db2.gz IZYKWRZVZGEMER-UHFFFAOYSA-N -1 1 390.407 1.617 20 0 GDADMM O=C(N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)[C@H]1CCc2ccccc2C1 ZINC001571297854 946199008 /nfs/dbraw/zinc/19/90/08/946199008.db2.gz BHNPYBZQSDOGRC-JKSUJKDBSA-N -1 1 390.451 1.157 20 0 GDADMM C[C@@H]1CN(C(=O)c2cccc3c2CCC3)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571298132 946205957 /nfs/dbraw/zinc/20/59/57/946205957.db2.gz AJNWYYXDTIZDRX-SJKOYZFVSA-N -1 1 390.451 1.718 20 0 GDADMM C[C@@H]1CN(C(=O)c2cccc3c2CCC3)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571298132 946205964 /nfs/dbraw/zinc/20/59/64/946205964.db2.gz AJNWYYXDTIZDRX-SJKOYZFVSA-N -1 1 390.451 1.718 20 0 GDADMM O=C(NC[C@@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1)[C@@H]1Cc2ccccc21 ZINC001571298284 946212239 /nfs/dbraw/zinc/21/22/39/946212239.db2.gz MKUOXVXJQVYQRK-GOEBONIOSA-N -1 1 390.451 1.472 20 0 GDADMM O=C(NC[C@@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1)[C@@H]1Cc2ccccc21 ZINC001571298284 946212250 /nfs/dbraw/zinc/21/22/50/946212250.db2.gz MKUOXVXJQVYQRK-GOEBONIOSA-N -1 1 390.451 1.472 20 0 GDADMM O=C(N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccc2c(c1)CCCC2 ZINC001571298432 946216761 /nfs/dbraw/zinc/21/67/61/946216761.db2.gz NUBUJMYEKGXITF-MRXNPFEDSA-N -1 1 390.451 1.544 20 0 GDADMM O=C(N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccc2c(c1)CCCC2 ZINC001571298432 946216771 /nfs/dbraw/zinc/21/67/71/946216771.db2.gz NUBUJMYEKGXITF-MRXNPFEDSA-N -1 1 390.451 1.544 20 0 GDADMM Cc1cccc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(c2cncc(-c4nnn[n-]4)n2)C3)c1 ZINC001571298665 946224700 /nfs/dbraw/zinc/22/47/00/946224700.db2.gz IQILHRWFJKHVAC-IMJJTQAJSA-N -1 1 390.451 1.752 20 0 GDADMM Cc1cccc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(c2cncc(-c4nn[n-]n4)n2)C3)c1 ZINC001571298665 946224716 /nfs/dbraw/zinc/22/47/16/946224716.db2.gz IQILHRWFJKHVAC-IMJJTQAJSA-N -1 1 390.451 1.752 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)[C@H]1C[C@@H]1c1ccccc1 ZINC001571299270 946246905 /nfs/dbraw/zinc/24/69/05/946246905.db2.gz VJPGTSZFBQLDOS-XHSDSOJGSA-N -1 1 390.451 1.545 20 0 GDADMM C[C@H]1CN(C(=O)c2cc(Cl)cs2)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571299642 946257719 /nfs/dbraw/zinc/25/77/19/946257719.db2.gz OCQIJNRNCQKZTC-WPRPVWTQSA-N -1 1 390.860 1.944 20 0 GDADMM C[C@H]1CN(C(=O)c2cc(Cl)cs2)C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571299642 946257729 /nfs/dbraw/zinc/25/77/29/946257729.db2.gz OCQIJNRNCQKZTC-WPRPVWTQSA-N -1 1 390.860 1.944 20 0 GDADMM Cc1ccc(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nnn[n-]3)nn2)cc1 ZINC001571299792 946261286 /nfs/dbraw/zinc/26/12/86/946261286.db2.gz VAOPNOZNFQAKMF-OIISXLGYSA-N -1 1 390.451 1.434 20 0 GDADMM Cc1ccc(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nn2)cc1 ZINC001571299792 946261296 /nfs/dbraw/zinc/26/12/96/946261296.db2.gz VAOPNOZNFQAKMF-OIISXLGYSA-N -1 1 390.451 1.434 20 0 GDADMM C[C@]1(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CCc2ccccc21 ZINC001571299810 946262940 /nfs/dbraw/zinc/26/29/40/946262940.db2.gz VISMOJCRGVVDEA-YRVVQQKDSA-N -1 1 390.451 1.620 20 0 GDADMM C[C@]1(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CCc2ccccc21 ZINC001571299810 946262949 /nfs/dbraw/zinc/26/29/49/946262949.db2.gz VISMOJCRGVVDEA-YRVVQQKDSA-N -1 1 390.451 1.620 20 0 GDADMM Cc1cccc(C(=O)N2CCC[C@@H]3[C@H]2CCN3c2cnc(-c3nnn[n-]3)cn2)c1 ZINC001571299840 946264816 /nfs/dbraw/zinc/26/48/16/946264816.db2.gz WKTJFSLHCURACU-IAGOWNOFSA-N -1 1 390.451 1.849 20 0 GDADMM Cc1cccc(C(=O)N2CCC[C@@H]3[C@H]2CCN3c2cnc(-c3nn[n-]n3)cn2)c1 ZINC001571299840 946264824 /nfs/dbraw/zinc/26/48/24/946264824.db2.gz WKTJFSLHCURACU-IAGOWNOFSA-N -1 1 390.451 1.849 20 0 GDADMM O=C(NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)c1ccsc1Cl ZINC001571300078 946271663 /nfs/dbraw/zinc/27/16/63/946271663.db2.gz UCIAFQCJTZQFPL-SECBINFHSA-N -1 1 390.860 1.770 20 0 GDADMM CCc1ccccc1C(=O)N1CC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001571300163 946275355 /nfs/dbraw/zinc/27/53/55/946275355.db2.gz ZXSSBEZWXUIRAJ-WMLDXEAASA-N -1 1 390.451 1.570 20 0 GDADMM CCc1ccccc1C(=O)N1CC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571300163 946275367 /nfs/dbraw/zinc/27/53/67/946275367.db2.gz ZXSSBEZWXUIRAJ-WMLDXEAASA-N -1 1 390.451 1.570 20 0 GDADMM O=C([C@H]1CCc2cccnc21)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571302857 946315425 /nfs/dbraw/zinc/31/54/25/946315425.db2.gz HVBPEPUAQPXQFQ-KGLIPLIRSA-N -1 1 391.439 1.185 20 0 GDADMM O=C([C@H]1CCc2cccnc21)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571302857 946315433 /nfs/dbraw/zinc/31/54/33/946315433.db2.gz HVBPEPUAQPXQFQ-KGLIPLIRSA-N -1 1 391.439 1.185 20 0 GDADMM O=C(NC[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccnc(C2CC2)c1 ZINC001571302861 946317767 /nfs/dbraw/zinc/31/77/67/946317767.db2.gz HWZNMSFRANVJFN-YEORSEQZSA-N -1 1 391.439 1.550 20 0 GDADMM O=C(NC[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccnc(C2CC2)c1 ZINC001571302861 946317781 /nfs/dbraw/zinc/31/77/81/946317781.db2.gz HWZNMSFRANVJFN-YEORSEQZSA-N -1 1 391.439 1.550 20 0 GDADMM CC(=O)N[C@H]1C[C@@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)Oc2ccccc21 ZINC001573496236 946321301 /nfs/dbraw/zinc/32/13/01/946321301.db2.gz XPPRGNSLQNYNOG-IFXJQAMLSA-N -1 1 392.423 1.266 20 0 GDADMM CC(=O)N[C@H]1C[C@@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)Oc2ccccc21 ZINC001573496236 946321313 /nfs/dbraw/zinc/32/13/13/946321313.db2.gz XPPRGNSLQNYNOG-IFXJQAMLSA-N -1 1 392.423 1.266 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(c2nccnc2-c2nnn[n-]2)C3)cn1 ZINC001571303605 946343167 /nfs/dbraw/zinc/34/31/67/946343167.db2.gz UGTKVILXOVKEOY-CFVMTHIKSA-N -1 1 391.439 1.147 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(c2nccnc2-c2nn[n-]n2)C3)cn1 ZINC001571303605 946343180 /nfs/dbraw/zinc/34/31/80/946343180.db2.gz UGTKVILXOVKEOY-CFVMTHIKSA-N -1 1 391.439 1.147 20 0 GDADMM Cc1cnccc1C(=O)N1CC[C@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571303679 946345086 /nfs/dbraw/zinc/34/50/86/946345086.db2.gz VLMJKSKGNHPIFF-IBGZPJMESA-N -1 1 391.439 1.103 20 0 GDADMM O=C(c1csc(Cl)n1)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571305830 946376960 /nfs/dbraw/zinc/37/69/60/946376960.db2.gz LHGQTNWEKCFYOG-UHFFFAOYSA-N -1 1 391.848 1.119 20 0 GDADMM O=C(c1csc(Cl)n1)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571305830 946376971 /nfs/dbraw/zinc/37/69/71/946376971.db2.gz LHGQTNWEKCFYOG-UHFFFAOYSA-N -1 1 391.848 1.119 20 0 GDADMM C[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CN1C(=O)c1scnc1Cl ZINC001571305838 946377567 /nfs/dbraw/zinc/37/75/67/946377567.db2.gz LMBMLMVNCYGUCA-JGVFFNPUSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CN1C(=O)c1scnc1Cl ZINC001571305838 946377582 /nfs/dbraw/zinc/37/75/82/946377582.db2.gz LMBMLMVNCYGUCA-JGVFFNPUSA-N -1 1 391.848 1.482 20 0 GDADMM CN(C(=O)c1ncc(Cl)s1)C1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571306090 946387127 /nfs/dbraw/zinc/38/71/27/946387127.db2.gz PGHRWGWTRGDXSD-UHFFFAOYSA-N -1 1 391.848 1.482 20 0 GDADMM CN(C(=O)c1ncc(Cl)s1)C1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571306090 946387136 /nfs/dbraw/zinc/38/71/36/946387136.db2.gz PGHRWGWTRGDXSD-UHFFFAOYSA-N -1 1 391.848 1.482 20 0 GDADMM Cc1sc(Cl)nc1C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571306350 946397498 /nfs/dbraw/zinc/39/74/98/946397498.db2.gz TZKCNGRNENSLGU-OCAPTIKFSA-N -1 1 391.848 1.448 20 0 GDADMM Cc1sc(Cl)nc1C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571306350 946397510 /nfs/dbraw/zinc/39/75/10/946397510.db2.gz TZKCNGRNENSLGU-OCAPTIKFSA-N -1 1 391.848 1.448 20 0 GDADMM Cc1nsc(NC2CCN(C(=O)COC3CCCC3)CC2)c1-c1nn[n-]n1 ZINC001571306638 946407516 /nfs/dbraw/zinc/40/75/16/946407516.db2.gz YYSWYDWQPLJAHN-UHFFFAOYSA-N -1 1 391.501 1.994 20 0 GDADMM CC1(C(=O)N2CCCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)CC(F)(F)C1 ZINC001571308028 946429181 /nfs/dbraw/zinc/42/91/81/946429181.db2.gz KESBEUWKDMZGCE-LLVKDONJSA-N -1 1 392.414 1.885 20 0 GDADMM CC1(C(=O)N2CCCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)CC(F)(F)C1 ZINC001571308028 946429190 /nfs/dbraw/zinc/42/91/90/946429190.db2.gz KESBEUWKDMZGCE-LLVKDONJSA-N -1 1 392.414 1.885 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@@H](C)N(C(=O)CC3CC(F)(F)C3)C2)n1 ZINC001571308392 946433485 /nfs/dbraw/zinc/43/34/85/946433485.db2.gz PMYSCZFGCIODOX-PWSUYJOCSA-N -1 1 392.414 1.802 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@@H](C)N(C(=O)CC3CC(F)(F)C3)C2)n1 ZINC001571308392 946433488 /nfs/dbraw/zinc/43/34/88/946433488.db2.gz PMYSCZFGCIODOX-PWSUYJOCSA-N -1 1 392.414 1.802 20 0 GDADMM C[C@@H]1CN(C(=O)[C@H]2CCC2(F)F)C[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001571308410 946433698 /nfs/dbraw/zinc/43/36/98/946433698.db2.gz PTTNAWDEAJNUGX-IJLUTSLNSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H]1CN(C(=O)[C@H]2CCC2(F)F)C[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001571308410 946433704 /nfs/dbraw/zinc/43/37/04/946433704.db2.gz PTTNAWDEAJNUGX-IJLUTSLNSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H]1CN(C(=O)CC2CC(F)(F)C2)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571309023 946440404 /nfs/dbraw/zinc/44/04/04/946440404.db2.gz WBHWHJVOLYCEHT-CMPLNLGQSA-N -1 1 392.414 1.163 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H]1CCN(C(=O)CC2CC(F)(F)C2)C1 ZINC001571309353 946443199 /nfs/dbraw/zinc/44/31/99/946443199.db2.gz YFTZFUDWRVTYDH-PWSUYJOCSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H]1CCN(C(=O)CC2CC(F)(F)C2)C1 ZINC001571309353 946443207 /nfs/dbraw/zinc/44/32/07/946443207.db2.gz YFTZFUDWRVTYDH-PWSUYJOCSA-N -1 1 392.414 1.741 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CC[C@H]21 ZINC001571309419 946444384 /nfs/dbraw/zinc/44/43/84/946444384.db2.gz ZNMUHWGHVXZQPV-NWDGAFQWSA-N -1 1 392.414 1.519 20 0 GDADMM O=C(N[C@@H]1C[C@H](Nc2ccc(-c3nn[nH]n3)cn2)C12CCC2)c1ncccc1[O-] ZINC001571309699 946450996 /nfs/dbraw/zinc/45/09/96/946450996.db2.gz IBFUJNQNJFJMHR-UONOGXRCSA-N -1 1 392.423 1.515 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)[C@@H]1COc2ccccc21 ZINC001571309723 946453205 /nfs/dbraw/zinc/45/32/05/946453205.db2.gz IPKRESJRBGPDJJ-MBNYWOFBSA-N -1 1 392.423 1.140 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)[C@@H]1COc2ccccc21 ZINC001571309723 946453215 /nfs/dbraw/zinc/45/32/15/946453215.db2.gz IPKRESJRBGPDJJ-MBNYWOFBSA-N -1 1 392.423 1.140 20 0 GDADMM O=S1(=O)CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC12CCCCC2 ZINC000823614299 946455130 /nfs/dbraw/zinc/45/51/30/946455130.db2.gz OILYFRLKFSKWRV-UHFFFAOYSA-N -1 1 399.480 1.748 20 0 GDADMM O=S1(=O)CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC12CCCCC2 ZINC000823614299 946455135 /nfs/dbraw/zinc/45/51/35/946455135.db2.gz OILYFRLKFSKWRV-UHFFFAOYSA-N -1 1 399.480 1.748 20 0 GDADMM O=C(CC1CC(F)(F)C1)N[C@@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571310127 946464054 /nfs/dbraw/zinc/46/40/54/946464054.db2.gz VYMGCUQXGOSMIS-VXGBXAGGSA-N -1 1 392.414 1.931 20 0 GDADMM O=C(CC1CC(F)(F)C1)N[C@@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571310127 946464063 /nfs/dbraw/zinc/46/40/63/946464063.db2.gz VYMGCUQXGOSMIS-VXGBXAGGSA-N -1 1 392.414 1.931 20 0 GDADMM O=C(NC1CC2(C1)CC(Nc1ccc(-c3nn[n-]n3)nn1)C2)c1ccccc1O ZINC001571310245 946466677 /nfs/dbraw/zinc/46/66/77/946466677.db2.gz ZOKXNKQPPXYFPS-UHFFFAOYSA-N -1 1 392.423 1.515 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@H](NC(=O)c3cccc(C)c3)C2)n1 ZINC001571312679 946497716 /nfs/dbraw/zinc/49/77/16/946497716.db2.gz AGEWYXQYZYVQFZ-HNNXBMFYSA-N -1 1 392.467 1.926 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@H](NC(=O)c3cccc(C)c3)C2)n1 ZINC001571312679 946497725 /nfs/dbraw/zinc/49/77/25/946497725.db2.gz AGEWYXQYZYVQFZ-HNNXBMFYSA-N -1 1 392.467 1.926 20 0 GDADMM C(c1nc2c(s1)CCC2)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000823874423 946497727 /nfs/dbraw/zinc/49/77/27/946497727.db2.gz WOYQFRDMISEROJ-UHFFFAOYSA-N -1 1 398.496 2.000 20 0 GDADMM CCc1ccccc1CC(=O)N1C[C@@H](C)[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571312985 946508532 /nfs/dbraw/zinc/50/85/32/946508532.db2.gz GVXBBVORUGOPBB-DYVFJYSZSA-N -1 1 392.467 1.721 20 0 GDADMM CCc1ccccc1CC(=O)N1C[C@@H](C)[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571312985 946508542 /nfs/dbraw/zinc/50/85/42/946508542.db2.gz GVXBBVORUGOPBB-DYVFJYSZSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@@H]1CN(C(=O)C2C=CC=CC=C2)CC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571313177 946513100 /nfs/dbraw/zinc/51/31/00/946513100.db2.gz JDXYWCJMQVPFQG-ZBFHGGJFSA-N -1 1 392.467 1.852 20 0 GDADMM C[C@@H]1CN(C(=O)C2C=CC=CC=C2)CC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571313177 946513109 /nfs/dbraw/zinc/51/31/09/946513109.db2.gz JDXYWCJMQVPFQG-ZBFHGGJFSA-N -1 1 392.467 1.852 20 0 GDADMM Cc1ccc(C)c(CC(=O)N2CC[C@@H](N(C)c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571314920 946544798 /nfs/dbraw/zinc/54/47/98/946544798.db2.gz DNWZLMIUNYOFMI-MRXNPFEDSA-N -1 1 392.467 1.553 20 0 GDADMM Cc1ccc(CCC(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c(C)c1 ZINC001571315001 946547766 /nfs/dbraw/zinc/54/77/66/946547766.db2.gz GFPKTUZMTXXLHS-INIZCTEOSA-N -1 1 392.467 1.919 20 0 GDADMM Cc1ccc(CCC(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c(C)c1 ZINC001571315001 946547770 /nfs/dbraw/zinc/54/77/70/946547770.db2.gz GFPKTUZMTXXLHS-INIZCTEOSA-N -1 1 392.467 1.919 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@@H]([C@@H](C)Nc3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001571315398 946552917 /nfs/dbraw/zinc/55/29/17/946552917.db2.gz JMTQFGICUIZYKD-GDBMZVCRSA-N -1 1 392.467 1.857 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@@H]([C@@H](C)Nc3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001571315398 946552925 /nfs/dbraw/zinc/55/29/25/946552925.db2.gz JMTQFGICUIZYKD-GDBMZVCRSA-N -1 1 392.467 1.857 20 0 GDADMM Cc1ccc(C[C@H](C)C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001571315465 946554671 /nfs/dbraw/zinc/55/46/71/946554671.db2.gz LOTJLXCHAGGHSE-HOCLYGCPSA-N -1 1 392.467 1.857 20 0 GDADMM Cc1ccc(C[C@H](C)C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001571315465 946554679 /nfs/dbraw/zinc/55/46/79/946554679.db2.gz LOTJLXCHAGGHSE-HOCLYGCPSA-N -1 1 392.467 1.857 20 0 GDADMM Cc1ccc(C(=O)N2CCC(CN(C)c3cncc(-c4nnn[n-]4)n3)CC2)cc1 ZINC001571315653 946558900 /nfs/dbraw/zinc/55/89/00/946558900.db2.gz NEHNLJBMQHEFDI-UHFFFAOYSA-N -1 1 392.467 1.954 20 0 GDADMM Cc1ccc(C(=O)N2CCC(CN(C)c3cncc(-c4nn[n-]n4)n3)CC2)cc1 ZINC001571315653 946558910 /nfs/dbraw/zinc/55/89/10/946558910.db2.gz NEHNLJBMQHEFDI-UHFFFAOYSA-N -1 1 392.467 1.954 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)[C@H]2CCN(C(=O)Cc3ccccc3)C2)n1 ZINC001571316234 946569003 /nfs/dbraw/zinc/56/90/03/946569003.db2.gz WZLCFQFMVRAUTI-HOCLYGCPSA-N -1 1 392.467 1.857 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)[C@H]2CCN(C(=O)Cc3ccccc3)C2)n1 ZINC001571316234 946569009 /nfs/dbraw/zinc/56/90/09/946569009.db2.gz WZLCFQFMVRAUTI-HOCLYGCPSA-N -1 1 392.467 1.857 20 0 GDADMM Cc1ccccc1CC(=O)N1CC[C@@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571316427 946577481 /nfs/dbraw/zinc/57/74/81/946577481.db2.gz CGMVNZCYYUZDRR-OAHLLOKOSA-N -1 1 392.467 1.280 20 0 GDADMM CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000824079116 946578839 /nfs/dbraw/zinc/57/88/39/946578839.db2.gz MTQOZCKDWHUFLS-GFCCVEGCSA-N -1 1 390.469 1.849 20 0 GDADMM Cc1cccc(CC(=O)N[C@@H]2CCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571316510 946580148 /nfs/dbraw/zinc/58/01/48/946580148.db2.gz FCFZZVOGVFPZKT-HZPDHXFCSA-N -1 1 392.467 1.469 20 0 GDADMM Cn1cccc1C(=O)N[C@H]1C[C@H](CNc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571317793 946620829 /nfs/dbraw/zinc/62/08/29/946620829.db2.gz VYPKWZYPMWIQHW-KYZUINATSA-N -1 1 392.876 1.936 20 0 GDADMM Cn1cccc1C(=O)N[C@H]1C[C@H](CNc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571317793 946620843 /nfs/dbraw/zinc/62/08/43/946620843.db2.gz VYPKWZYPMWIQHW-KYZUINATSA-N -1 1 392.876 1.936 20 0 GDADMM CC(=O)c1ccccc1NC(=O)Cn1c2c(cc(-c3nn[n-]n3)c1=O)CCC2 ZINC001573558279 946938087 /nfs/dbraw/zinc/93/80/87/946938087.db2.gz IHIWJMRJUMEZGN-UHFFFAOYSA-N -1 1 378.392 1.358 20 0 GDADMM C[C@H]1[C@H](C)N(C(=O)c2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)OC(C)(C)C ZINC000824860884 946954467 /nfs/dbraw/zinc/95/44/67/946954467.db2.gz YSSGSFHGWCUUAO-RYUDHWBXSA-N -1 1 387.444 1.732 20 0 GDADMM C[C@H]1[C@H](C)N(C(=O)c2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)OC(C)(C)C ZINC000824860884 946954475 /nfs/dbraw/zinc/95/44/75/946954475.db2.gz YSSGSFHGWCUUAO-RYUDHWBXSA-N -1 1 387.444 1.732 20 0 GDADMM C[C@H]1COc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825015022 947046547 /nfs/dbraw/zinc/04/65/47/947046547.db2.gz YZXZYNQHWXJXIN-NSHDSACASA-N -1 1 389.412 1.978 20 0 GDADMM CNS(=O)(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000326886687 971339903 /nfs/dbraw/zinc/33/99/03/971339903.db2.gz HRCCQILHDFNNAP-UHFFFAOYSA-N -1 1 388.398 1.233 20 0 GDADMM C[C@@H](C(=O)N(C)[C@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)c1ccco1 ZINC001573592985 947358185 /nfs/dbraw/zinc/35/81/85/947358185.db2.gz HESRCICOLQDDJI-DGCLKSJQSA-N -1 1 382.428 1.702 20 0 GDADMM C[C@@H](C(=O)N(C)[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)c1ccco1 ZINC001573592985 947358198 /nfs/dbraw/zinc/35/81/98/947358198.db2.gz HESRCICOLQDDJI-DGCLKSJQSA-N -1 1 382.428 1.702 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@@H]1C[C@]12CCc1ccccc12 ZINC000825923720 947371882 /nfs/dbraw/zinc/37/18/82/947371882.db2.gz SOVFZCCAKDSAOZ-XOBRGWDASA-N -1 1 392.467 1.467 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@@H]1C[C@]12CCc1ccccc12 ZINC000825923720 947371889 /nfs/dbraw/zinc/37/18/89/947371889.db2.gz SOVFZCCAKDSAOZ-XOBRGWDASA-N -1 1 392.467 1.467 20 0 GDADMM C[C@@H](C(=O)N(C)C1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cccnc1 ZINC001573593920 947382325 /nfs/dbraw/zinc/38/23/25/947382325.db2.gz NARDOBQQVUNODQ-LMWSTFAQSA-N -1 1 379.428 1.257 20 0 GDADMM C[C@@H](C(=O)N(C)C1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cccnc1 ZINC001573593920 947382331 /nfs/dbraw/zinc/38/23/31/947382331.db2.gz NARDOBQQVUNODQ-LMWSTFAQSA-N -1 1 379.428 1.257 20 0 GDADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1nccnc1-c1nnn[n-]1)c1ccco1 ZINC001573594479 947397828 /nfs/dbraw/zinc/39/78/28/947397828.db2.gz ZOTLHUVUYVCHFA-GFCCVEGCSA-N -1 1 384.444 1.950 20 0 GDADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1nccnc1-c1nn[n-]n1)c1ccco1 ZINC001573594479 947397844 /nfs/dbraw/zinc/39/78/44/947397844.db2.gz ZOTLHUVUYVCHFA-GFCCVEGCSA-N -1 1 384.444 1.950 20 0 GDADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1nccnc1-c1nnn[n-]1)c1ccco1 ZINC001573594481 947398758 /nfs/dbraw/zinc/39/87/58/947398758.db2.gz ZOTLHUVUYVCHFA-LBPRGKRZSA-N -1 1 384.444 1.950 20 0 GDADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1nccnc1-c1nn[n-]n1)c1ccco1 ZINC001573594481 947398767 /nfs/dbraw/zinc/39/87/67/947398767.db2.gz ZOTLHUVUYVCHFA-LBPRGKRZSA-N -1 1 384.444 1.950 20 0 GDADMM C[C@@H](C(=O)N(C)CCCN(C)c1nccnc1-c1nnn[n-]1)c1cccs1 ZINC001573595919 947423948 /nfs/dbraw/zinc/42/39/48/947423948.db2.gz HPASEOWWWIXRIG-GFCCVEGCSA-N -1 1 386.485 1.807 20 0 GDADMM C[C@@H](C(=O)N(C)CCCN(C)c1nccnc1-c1nn[n-]n1)c1cccs1 ZINC001573595919 947423958 /nfs/dbraw/zinc/42/39/58/947423958.db2.gz HPASEOWWWIXRIG-GFCCVEGCSA-N -1 1 386.485 1.807 20 0 GDADMM C[C@@H](C(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nn1)c1ccccc1F ZINC001573603319 947482271 /nfs/dbraw/zinc/48/22/71/947482271.db2.gz KDQHPLWRWRLCII-GFCCVEGCSA-N -1 1 384.419 1.494 20 0 GDADMM C[C@@H](C(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nn1)c1ccccc1F ZINC001573603319 947482275 /nfs/dbraw/zinc/48/22/75/947482275.db2.gz KDQHPLWRWRLCII-GFCCVEGCSA-N -1 1 384.419 1.494 20 0 GDADMM C[C@H](C(=O)N(Cc1cccs1)Cc1ccncc1)n1cnc(-c2nn[n-]n2)n1 ZINC001573608026 947554756 /nfs/dbraw/zinc/55/47/56/947554756.db2.gz UNELDCBXBLEQGI-GFCCVEGCSA-N -1 1 395.452 1.705 20 0 GDADMM C=Cc1ccc(C(=O)N2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)[C@@H](C)C2)cc1 ZINC001573351359 947612733 /nfs/dbraw/zinc/61/27/33/947612733.db2.gz LYCOFCARESECGN-LRDDRELGSA-N -1 1 376.424 1.872 20 0 GDADMM C=Cc1ccc(C(=O)N2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)[C@@H](C)C2)cc1 ZINC001573351359 947612744 /nfs/dbraw/zinc/61/27/44/947612744.db2.gz LYCOFCARESECGN-LRDDRELGSA-N -1 1 376.424 1.872 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001573351378 947615273 /nfs/dbraw/zinc/61/52/73/947615273.db2.gz MDTZUBFLVWUEHG-CQSZACIVSA-N -1 1 376.424 1.874 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001573351378 947615279 /nfs/dbraw/zinc/61/52/79/947615279.db2.gz MDTZUBFLVWUEHG-CQSZACIVSA-N -1 1 376.424 1.874 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1)c1ccco1 ZINC001573616075 947617153 /nfs/dbraw/zinc/61/71/53/947617153.db2.gz UXRIPGBSZXJEMS-UPJWGTAASA-N -1 1 380.412 1.233 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1)c1ccco1 ZINC001573616075 947617160 /nfs/dbraw/zinc/61/71/60/947617160.db2.gz UXRIPGBSZXJEMS-UPJWGTAASA-N -1 1 380.412 1.233 20 0 GDADMM C[C@@H](C(=O)N1CC[C@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001573616203 947619334 /nfs/dbraw/zinc/61/93/34/947619334.db2.gz VSCBDKKHKNUUBU-KZULUSFZSA-N -1 1 382.428 1.126 20 0 GDADMM C=Cc1ccc(C(=O)N(C)CCCN(C)c2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001573352182 947627243 /nfs/dbraw/zinc/62/72/43/947627243.db2.gz XVCPWAXYNGTCJY-UHFFFAOYSA-N -1 1 378.440 1.898 20 0 GDADMM C=Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nc(C)cc(-c3nnn[n-]3)n2)cc1 ZINC001573354545 947634868 /nfs/dbraw/zinc/63/48/68/947634868.db2.gz CNGPOWFGDMHTDX-HOTGVXAUSA-N -1 1 388.435 1.711 20 0 GDADMM C=Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nc(C)cc(-c3nn[n-]n3)n2)cc1 ZINC001573354545 947634875 /nfs/dbraw/zinc/63/48/75/947634875.db2.gz CNGPOWFGDMHTDX-HOTGVXAUSA-N -1 1 388.435 1.711 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001573355074 947641361 /nfs/dbraw/zinc/64/13/61/947641361.db2.gz LUCXIMHBEIAVMU-HNNXBMFYSA-N -1 1 390.451 1.946 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573355074 947641368 /nfs/dbraw/zinc/64/13/68/947641368.db2.gz LUCXIMHBEIAVMU-HNNXBMFYSA-N -1 1 390.451 1.946 20 0 GDADMM C[C@@H](C(=O)N1CCC(CNc2nccnc2-c2nnn[n-]2)CC1)[C@@H]1CCCO1 ZINC001573617997 947645681 /nfs/dbraw/zinc/64/56/81/947645681.db2.gz OJGWKLFPXKUOHW-OCCSQVGLSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](C(=O)N1CCC(CNc2nccnc2-c2nn[n-]n2)CC1)[C@@H]1CCCO1 ZINC001573617997 947645690 /nfs/dbraw/zinc/64/56/90/947645690.db2.gz OJGWKLFPXKUOHW-OCCSQVGLSA-N -1 1 386.460 1.122 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@@H](O)CNc2snc(C)c2-c2nn[n-]n2)cc1 ZINC001573356596 947652165 /nfs/dbraw/zinc/65/21/65/947652165.db2.gz YUULRPKFXXLRCW-CYBMUJFWSA-N -1 1 385.453 1.477 20 0 GDADMM C=Cc1ccc(C(=O)NCC2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC001573356618 947653052 /nfs/dbraw/zinc/65/30/52/947653052.db2.gz ZBXJBLDFICILNI-UHFFFAOYSA-N -1 1 390.451 1.946 20 0 GDADMM C=Cc1ccc(C(=O)NCC2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)cc1 ZINC001573356618 947653057 /nfs/dbraw/zinc/65/30/57/947653057.db2.gz ZBXJBLDFICILNI-UHFFFAOYSA-N -1 1 390.451 1.946 20 0 GDADMM CS(=O)(=O)c1cccc(Cl)c1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826223940 947658738 /nfs/dbraw/zinc/65/87/38/947658738.db2.gz HSZNTDQNLMMBSD-UHFFFAOYSA-N -1 1 393.812 1.676 20 0 GDADMM CS(=O)(=O)c1cccc(Cl)c1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826223940 947658743 /nfs/dbraw/zinc/65/87/43/947658743.db2.gz HSZNTDQNLMMBSD-UHFFFAOYSA-N -1 1 393.812 1.676 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCC2([C@H](O)C(C)C)CC2)cc1-c1nn[n-]n1 ZINC000826229595 947672160 /nfs/dbraw/zinc/67/21/60/947672160.db2.gz KHQRGAZDHCIBNN-LLVKDONJSA-N -1 1 378.458 1.216 20 0 GDADMM C=Cc1ccc(C(=O)NCC[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573358887 947672171 /nfs/dbraw/zinc/67/21/71/947672171.db2.gz KZVGLXQYTSPZDB-OAHLLOKOSA-N -1 1 390.451 1.946 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H]1CC(=O)c2ccccc21 ZINC000826232758 947682740 /nfs/dbraw/zinc/68/27/40/947682740.db2.gz HOSGZHQYRYSANH-HNNXBMFYSA-N -1 1 392.419 1.961 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCC1([C@H](O)C(C)C)CC1 ZINC000826232904 947683234 /nfs/dbraw/zinc/68/32/34/947683234.db2.gz MODYLXWVOBVSFS-MRXNPFEDSA-N -1 1 388.472 1.430 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCC1([C@@H](O)C(C)C)CC1 ZINC000826232903 947683263 /nfs/dbraw/zinc/68/32/63/947683263.db2.gz MODYLXWVOBVSFS-INIZCTEOSA-N -1 1 388.472 1.430 20 0 GDADMM C[C@H](C(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1)c1ccsc1 ZINC001573624234 947693951 /nfs/dbraw/zinc/69/39/51/947693951.db2.gz JQBJDNNGXYIBOH-NSHDSACASA-N -1 1 384.469 1.925 20 0 GDADMM C[C@H](C(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1)c1ccsc1 ZINC001573624234 947693954 /nfs/dbraw/zinc/69/39/54/947693954.db2.gz JQBJDNNGXYIBOH-NSHDSACASA-N -1 1 384.469 1.925 20 0 GDADMM C[C@@H](C(=O)N1CC[C@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1)C1CCC1 ZINC001573627787 947734864 /nfs/dbraw/zinc/73/48/64/947734864.db2.gz CJTJJWAEHMRGDG-YJYMSZOUSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H](C(=O)N1CC[C@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1)C1CCC1 ZINC001573627787 947734874 /nfs/dbraw/zinc/73/48/74/947734874.db2.gz CJTJJWAEHMRGDG-YJYMSZOUSA-N -1 1 382.472 1.522 20 0 GDADMM C/C(=C\C(=O)NCC1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1)C1CC1 ZINC001573366389 947739424 /nfs/dbraw/zinc/73/94/24/947739424.db2.gz WATWAERWFJKEFG-FMIVXFBMSA-N -1 1 382.472 1.654 20 0 GDADMM C/C(=C\C(=O)NCC1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001573366389 947739433 /nfs/dbraw/zinc/73/94/33/947739433.db2.gz WATWAERWFJKEFG-FMIVXFBMSA-N -1 1 382.472 1.654 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](c2c[nH]c3ncccc23)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001573628048 947743133 /nfs/dbraw/zinc/74/31/33/947743133.db2.gz HRANHNIRNWCWKY-VXGBXAGGSA-N -1 1 392.427 1.302 20 0 GDADMM C[C@H](C(=O)N1CC[C@@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1)C(C)(C)C ZINC001573628010 947743163 /nfs/dbraw/zinc/74/31/63/947743163.db2.gz FBRBETJILGWGMR-BFUOFWGJSA-N -1 1 384.488 1.768 20 0 GDADMM CC(=O)[C@@H]1CC(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)=NN1c1ccccc1 ZINC001573367166 947754752 /nfs/dbraw/zinc/75/47/52/947754752.db2.gz YIQBBTQDWHLCHR-KRWDZBQOSA-N -1 1 390.407 1.102 20 0 GDADMM CC(=O)[C@@H]1CC(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)=NN1c1ccccc1 ZINC001573367166 947754761 /nfs/dbraw/zinc/75/47/61/947754761.db2.gz YIQBBTQDWHLCHR-KRWDZBQOSA-N -1 1 390.407 1.102 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1)c1ccco1 ZINC001573629396 947778936 /nfs/dbraw/zinc/77/89/36/947778936.db2.gz SVJBLHLUUOJLBR-QWHCGFSZSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1)c1ccco1 ZINC001573629396 947778943 /nfs/dbraw/zinc/77/89/43/947778943.db2.gz SVJBLHLUUOJLBR-QWHCGFSZSA-N -1 1 382.428 1.481 20 0 GDADMM Cc1cc(NC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)nn1C ZINC000826270257 947782060 /nfs/dbraw/zinc/78/20/60/947782060.db2.gz SDDWGWATGNGDEM-UHFFFAOYSA-N -1 1 382.363 1.877 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@@H]([C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573372671 947782610 /nfs/dbraw/zinc/78/26/10/947782610.db2.gz BPGYRIUUALKJES-ZIAGYGMSSA-N -1 1 386.460 1.455 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@@H]([C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573372671 947782615 /nfs/dbraw/zinc/78/26/15/947782615.db2.gz BPGYRIUUALKJES-ZIAGYGMSSA-N -1 1 386.460 1.455 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)nn1)C(C)(C)C ZINC001573630519 947792346 /nfs/dbraw/zinc/79/23/46/947792346.db2.gz YJUHRNXNHFHWQU-BPLDGKMQSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)nn1)C(C)(C)C ZINC001573630519 947792354 /nfs/dbraw/zinc/79/23/54/947792354.db2.gz YJUHRNXNHFHWQU-BPLDGKMQSA-N -1 1 384.488 1.909 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573373653 947797385 /nfs/dbraw/zinc/79/73/85/947797385.db2.gz JUPQXSHYMBZLKJ-GFCCVEGCSA-N -1 1 377.474 1.794 20 0 GDADMM C[C@H](C(=O)N1CCCO[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)C(C)(C)C ZINC001573637955 947829212 /nfs/dbraw/zinc/82/92/12/947829212.db2.gz XCFPISKXEMBVFH-OLZOCXBDSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@H](C(=O)N1CCCO[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)C(C)(C)C ZINC001573637955 947829224 /nfs/dbraw/zinc/82/92/24/947829224.db2.gz XCFPISKXEMBVFH-OLZOCXBDSA-N -1 1 388.476 1.368 20 0 GDADMM Cc1ccc(C[C@@H](C)C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000826286863 947830548 /nfs/dbraw/zinc/83/05/48/947830548.db2.gz UBLOSJJWVDGVPU-CYBMUJFWSA-N -1 1 382.472 1.750 20 0 GDADMM Cc1ccc(C[C@@H](C)C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000826286863 947830559 /nfs/dbraw/zinc/83/05/59/947830559.db2.gz UBLOSJJWVDGVPU-CYBMUJFWSA-N -1 1 382.472 1.750 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cccs1 ZINC001573638085 947834523 /nfs/dbraw/zinc/83/45/23/947834523.db2.gz CEVODGQKCMTOPV-RYUDHWBXSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cccs1 ZINC001573638085 947834529 /nfs/dbraw/zinc/83/45/29/947834529.db2.gz CEVODGQKCMTOPV-RYUDHWBXSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)C1CCC1 ZINC001573638208 947835441 /nfs/dbraw/zinc/83/54/41/947835441.db2.gz JJOJRIJAHJTSIQ-VHDGCEQUSA-N -1 1 382.472 1.520 20 0 GDADMM Cc1onc(CC(=O)N[C@@H]2CCCN(c3ccc(C)cc3)C2=O)c1-c1nnn[n-]1 ZINC000826289558 947842926 /nfs/dbraw/zinc/84/29/26/947842926.db2.gz FPNTWHDGEMRBTF-CQSZACIVSA-N -1 1 395.423 1.326 20 0 GDADMM Cc1onc(CC(=O)N[C@@H]2CCCN(c3ccc(C)cc3)C2=O)c1-c1nn[n-]n1 ZINC000826289558 947842931 /nfs/dbraw/zinc/84/29/31/947842931.db2.gz FPNTWHDGEMRBTF-CQSZACIVSA-N -1 1 395.423 1.326 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1)n1cccc1 ZINC001573647287 947890228 /nfs/dbraw/zinc/89/02/28/947890228.db2.gz HAGHOTRSCBLGDL-MGPQQGTHSA-N -1 1 381.444 1.226 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1)n1cccc1 ZINC001573647287 947890239 /nfs/dbraw/zinc/89/02/39/947890239.db2.gz HAGHOTRSCBLGDL-MGPQQGTHSA-N -1 1 381.444 1.226 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](CNc2cncc(-c3nnn[n-]3)n2)[C@H](C)C1)n1cccc1 ZINC001573647470 947893719 /nfs/dbraw/zinc/89/37/19/947893719.db2.gz MCRRHHAKIWGCIJ-HZSPNIEDSA-N -1 1 381.444 1.226 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](CNc2cncc(-c3nn[n-]n3)n2)[C@H](C)C1)n1cccc1 ZINC001573647470 947893726 /nfs/dbraw/zinc/89/37/26/947893726.db2.gz MCRRHHAKIWGCIJ-HZSPNIEDSA-N -1 1 381.444 1.226 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)[C@H](C)C1)n1cccc1 ZINC001573647426 947894772 /nfs/dbraw/zinc/89/47/72/947894772.db2.gz KTMNJJHELOAHFB-MGPQQGTHSA-N -1 1 381.444 1.226 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)[C@H](C)C1)n1cccc1 ZINC001573647426 947894789 /nfs/dbraw/zinc/89/47/89/947894789.db2.gz KTMNJJHELOAHFB-MGPQQGTHSA-N -1 1 381.444 1.226 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cccs1 ZINC001573647557 947896493 /nfs/dbraw/zinc/89/64/93/947896493.db2.gz OYEVYVFILFCUEZ-NTZNESFSSA-N -1 1 384.469 1.781 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573647557 947896499 /nfs/dbraw/zinc/89/64/99/947896499.db2.gz OYEVYVFILFCUEZ-NTZNESFSSA-N -1 1 384.469 1.781 20 0 GDADMM Cc1cnc([C@H](C)NC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)o1 ZINC000826317613 947926914 /nfs/dbraw/zinc/92/69/14/947926914.db2.gz IYEMEKFPOAMRIN-NSHDSACASA-N -1 1 395.427 1.633 20 0 GDADMM Cc1cnc([C@H](C)NC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)o1 ZINC000826317613 947926923 /nfs/dbraw/zinc/92/69/23/947926923.db2.gz IYEMEKFPOAMRIN-NSHDSACASA-N -1 1 395.427 1.633 20 0 GDADMM C[C@H](C(=O)N[C@@](C)(CNc1cncc(-c2nnn[n-]2)n1)C1CC1)C(C)(F)F ZINC001573652203 947931165 /nfs/dbraw/zinc/93/11/65/947931165.db2.gz BIENMPBVLFICGO-PSLIRLAXSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@H](C(=O)N[C@@](C)(CNc1cncc(-c2nn[n-]n2)n1)C1CC1)C(C)(F)F ZINC001573652203 947931166 /nfs/dbraw/zinc/93/11/66/947931166.db2.gz BIENMPBVLFICGO-PSLIRLAXSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1)C1CCC1 ZINC001573652347 947935870 /nfs/dbraw/zinc/93/58/70/947935870.db2.gz XIGFLDNUZJVIPM-YUELXQCFSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1)C1CCC1 ZINC001573652347 947935876 /nfs/dbraw/zinc/93/58/76/947935876.db2.gz XIGFLDNUZJVIPM-YUELXQCFSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H](C(=O)N[C@@](C)(CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)C(C)(F)F ZINC001573652545 947942093 /nfs/dbraw/zinc/94/20/93/947942093.db2.gz DLKZLJPSSLYLEO-VFZGTOFNSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@@H](C(=O)N[C@@](C)(CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)C(C)(F)F ZINC001573652545 947942103 /nfs/dbraw/zinc/94/21/03/947942103.db2.gz DLKZLJPSSLYLEO-VFZGTOFNSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)c1cccs1 ZINC001573655273 947977149 /nfs/dbraw/zinc/97/71/49/947977149.db2.gz WSQYMFPFRXYFHX-MFKMUULPSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)c1cccs1 ZINC001573655273 947977155 /nfs/dbraw/zinc/97/71/55/947977155.db2.gz WSQYMFPFRXYFHX-MFKMUULPSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NC1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C1CCCC1 ZINC001573656807 947992797 /nfs/dbraw/zinc/99/27/97/947992797.db2.gz IINJSOZKMKTCIF-ZDUSSCGKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](C(=O)NC1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C1CCCC1 ZINC001573656807 947992804 /nfs/dbraw/zinc/99/28/04/947992804.db2.gz IINJSOZKMKTCIF-ZDUSSCGKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](C(=O)NC1(C)CCN(c2cncc(-c3nnn[n-]3)n2)CC1)c1ccco1 ZINC001573658259 948006883 /nfs/dbraw/zinc/00/68/83/948006883.db2.gz RNPLOROLTGXKHI-GFCCVEGCSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](C(=O)NC1(C)CCN(c2cncc(-c3nn[n-]n3)n2)CC1)c1ccco1 ZINC001573658259 948006887 /nfs/dbraw/zinc/00/68/87/948006887.db2.gz RNPLOROLTGXKHI-GFCCVEGCSA-N -1 1 382.428 1.529 20 0 GDADMM Cc1onc(CC(=O)N[C@H](C)c2ccc(-n3ccnn3)cc2)c1-c1nnn[n-]1 ZINC000826345601 948027148 /nfs/dbraw/zinc/02/71/48/948027148.db2.gz OPZZBDKRUIFPKO-SNVBAGLBSA-N -1 1 379.384 1.164 20 0 GDADMM Cc1onc(CC(=O)N[C@H](C)c2ccc(-n3ccnn3)cc2)c1-c1nn[n-]n1 ZINC000826345601 948027158 /nfs/dbraw/zinc/02/71/58/948027158.db2.gz OPZZBDKRUIFPKO-SNVBAGLBSA-N -1 1 379.384 1.164 20 0 GDADMM Cc1onc(CC(=O)NC2(C(=O)OC(C)(C)C)CCCCC2)c1-c1nnn[n-]1 ZINC000826346211 948035950 /nfs/dbraw/zinc/03/59/50/948035950.db2.gz GRADTZQXXIWSRO-UHFFFAOYSA-N -1 1 390.444 1.866 20 0 GDADMM Cc1onc(CC(=O)NC2(C(=O)OC(C)(C)C)CCCCC2)c1-c1nn[n-]n1 ZINC000826346211 948035957 /nfs/dbraw/zinc/03/59/57/948035957.db2.gz GRADTZQXXIWSRO-UHFFFAOYSA-N -1 1 390.444 1.866 20 0 GDADMM Cc1onc(CC(=O)N[C@@H]2C[C@H](C)N(c3ccccc3)C2=O)c1-c1nnn[n-]1 ZINC000826346396 948039847 /nfs/dbraw/zinc/03/98/47/948039847.db2.gz LOVOUBIUHWVXAQ-IINYFYTJSA-N -1 1 381.396 1.016 20 0 GDADMM Cc1onc(CC(=O)N[C@@H]2C[C@H](C)N(c3ccccc3)C2=O)c1-c1nn[n-]n1 ZINC000826346396 948039855 /nfs/dbraw/zinc/03/98/55/948039855.db2.gz LOVOUBIUHWVXAQ-IINYFYTJSA-N -1 1 381.396 1.016 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)c1ccco1 ZINC001573663872 948042801 /nfs/dbraw/zinc/04/28/01/948042801.db2.gz BBIIQIDMTBBQBN-OLZOCXBDSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)c1ccco1 ZINC001573663872 948042809 /nfs/dbraw/zinc/04/28/09/948042809.db2.gz BBIIQIDMTBBQBN-OLZOCXBDSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2)C(C)(C)C ZINC001573664361 948052690 /nfs/dbraw/zinc/05/26/90/948052690.db2.gz UNKAAIVUJGHYLV-CHWSQXEVSA-N -1 1 384.488 1.814 20 0 GDADMM Cc1onc(CC(=O)NCc2ccnc(N3CCCCCC3)c2)c1-c1nn[n-]n1 ZINC000826347935 948063090 /nfs/dbraw/zinc/06/30/90/948063090.db2.gz MPLATHUFIJLELK-UHFFFAOYSA-N -1 1 396.455 1.797 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nn1)CC2)C(C)(F)F ZINC001573665015 948065191 /nfs/dbraw/zinc/06/51/91/948065191.db2.gz ZXAHPYHAGVNDSJ-JQWIXIFHSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nn1)CC2)C(C)(F)F ZINC001573665015 948065198 /nfs/dbraw/zinc/06/51/98/948065198.db2.gz ZXAHPYHAGVNDSJ-JQWIXIFHSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2)C(C)(C)C ZINC001573665125 948069364 /nfs/dbraw/zinc/06/93/64/948069364.db2.gz JBRDTGNRURBWDA-STQMWFEESA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2)C(C)(C)C ZINC001573665125 948069376 /nfs/dbraw/zinc/06/93/76/948069376.db2.gz JBRDTGNRURBWDA-STQMWFEESA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2)C(C)(C)C ZINC001573665124 948069755 /nfs/dbraw/zinc/06/97/55/948069755.db2.gz JBRDTGNRURBWDA-QWHCGFSZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2)C(C)(C)C ZINC001573665124 948069763 /nfs/dbraw/zinc/06/97/63/948069763.db2.gz JBRDTGNRURBWDA-QWHCGFSZSA-N -1 1 384.488 1.814 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(CN3CCOC3=O)cc2)c1-c1nnn[n-]1 ZINC000826348548 948075490 /nfs/dbraw/zinc/07/54/90/948075490.db2.gz RRRDVNGLGCVAIQ-UHFFFAOYSA-N -1 1 383.368 1.297 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(CN3CCOC3=O)cc2)c1-c1nn[n-]n1 ZINC000826348548 948075499 /nfs/dbraw/zinc/07/54/99/948075499.db2.gz RRRDVNGLGCVAIQ-UHFFFAOYSA-N -1 1 383.368 1.297 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(N3C(=O)CCCC3=O)cc2)c1-c1nnn[n-]1 ZINC000826348465 948076153 /nfs/dbraw/zinc/07/61/53/948076153.db2.gz NNIPNMPHPQERJK-UHFFFAOYSA-N -1 1 395.379 1.388 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(N3C(=O)CCCC3=O)cc2)c1-c1nn[n-]n1 ZINC000826348465 948076159 /nfs/dbraw/zinc/07/61/59/948076159.db2.gz NNIPNMPHPQERJK-UHFFFAOYSA-N -1 1 395.379 1.388 20 0 GDADMM C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)C1CCC1 ZINC001573666238 948084852 /nfs/dbraw/zinc/08/48/52/948084852.db2.gz RIZYNUPGMVZTDV-PRTUASRFSA-N -1 1 382.472 1.709 20 0 GDADMM C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)C1CCC1 ZINC001573666238 948084858 /nfs/dbraw/zinc/08/48/58/948084858.db2.gz RIZYNUPGMVZTDV-PRTUASRFSA-N -1 1 382.472 1.709 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C1CCCC1 ZINC001573666222 948085767 /nfs/dbraw/zinc/08/57/67/948085767.db2.gz RCLFEZWVMWINOO-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C1CCCC1 ZINC001573666222 948085779 /nfs/dbraw/zinc/08/57/79/948085779.db2.gz RCLFEZWVMWINOO-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2)C1CCC1 ZINC001573667309 948097304 /nfs/dbraw/zinc/09/73/04/948097304.db2.gz YXRCFBIWGAHEBU-IUODEOHRSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2)C1CCC1 ZINC001573667309 948097314 /nfs/dbraw/zinc/09/73/14/948097314.db2.gz YXRCFBIWGAHEBU-IUODEOHRSA-N -1 1 382.472 1.568 20 0 GDADMM CC(C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C)=C1CCC1 ZINC001573671402 948107292 /nfs/dbraw/zinc/10/72/92/948107292.db2.gz GAXWOUHYJJIKJV-CQSZACIVSA-N -1 1 382.472 1.878 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C)C(C)(F)F ZINC001573680410 948178373 /nfs/dbraw/zinc/17/83/73/948178373.db2.gz PTLIBSKVMSDQLH-MWLCHTKSSA-N -1 1 380.403 1.279 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C)C(C)(F)F ZINC001573680410 948178381 /nfs/dbraw/zinc/17/83/81/948178381.db2.gz PTLIBSKVMSDQLH-MWLCHTKSSA-N -1 1 380.403 1.279 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCC1)c1ccsc1 ZINC001573691325 948239971 /nfs/dbraw/zinc/23/99/71/948239971.db2.gz FAOKKVXGMRZWTD-NSHDSACASA-N -1 1 384.469 1.973 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCC1)c1ccsc1 ZINC001573691325 948239983 /nfs/dbraw/zinc/23/99/83/948239983.db2.gz FAOKKVXGMRZWTD-NSHDSACASA-N -1 1 384.469 1.973 20 0 GDADMM CC(=O)N1CCC2(CO[C@H](CNc3snc(C)c3-c3nn[n-]n3)C2)CC1 ZINC001573439215 948243899 /nfs/dbraw/zinc/24/38/99/948243899.db2.gz JTVGBWPSBYCISE-LBPRGKRZSA-N -1 1 377.474 1.461 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCCC1)c1ccco1 ZINC001573692322 948261012 /nfs/dbraw/zinc/26/10/12/948261012.db2.gz ODJLZUMLUCNQEN-GFCCVEGCSA-N -1 1 382.428 1.316 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCCC1)C(C)(F)F ZINC001573693842 948289955 /nfs/dbraw/zinc/28/99/55/948289955.db2.gz ZUAOILBYQZHOQL-JTQLQIEISA-N -1 1 380.403 1.211 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)C1CCCC1 ZINC001573695329 948305750 /nfs/dbraw/zinc/30/57/50/948305750.db2.gz GNHKGCCKVKUETN-NGFQHRJXSA-N -1 1 382.472 1.281 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)C1CCCC1 ZINC001573695329 948305755 /nfs/dbraw/zinc/30/57/55/948305755.db2.gz GNHKGCCKVKUETN-NGFQHRJXSA-N -1 1 382.472 1.281 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCOCC1)C1CCC1 ZINC001573696333 948321895 /nfs/dbraw/zinc/32/18/95/948321895.db2.gz OAPWKOHTGGMHMY-LBPRGKRZSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCOCC1)C1CCC1 ZINC001573696333 948321908 /nfs/dbraw/zinc/32/19/08/948321908.db2.gz OAPWKOHTGGMHMY-LBPRGKRZSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCCCN1c1cnc(-c2nnn[n-]2)cn1)C1CCC1 ZINC001573702940 948351266 /nfs/dbraw/zinc/35/12/66/948351266.db2.gz HSSDJHJHMJEVHP-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCCCN1c1cnc(-c2nn[n-]n2)cn1)C1CCC1 ZINC001573702940 948351271 /nfs/dbraw/zinc/35/12/71/948351271.db2.gz HSSDJHJHMJEVHP-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)c1ccsc1 ZINC001573703896 948361399 /nfs/dbraw/zinc/36/13/99/948361399.db2.gz NOKLVPPVJBCSOC-YPMHNXCESA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)c1ccsc1 ZINC001573703896 948361408 /nfs/dbraw/zinc/36/14/08/948361408.db2.gz NOKLVPPVJBCSOC-YPMHNXCESA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1cccs1 ZINC001573704564 948377211 /nfs/dbraw/zinc/37/72/11/948377211.db2.gz CCVLZSQZQQBUDR-NWDGAFQWSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1cccs1 ZINC001573704564 948377218 /nfs/dbraw/zinc/37/72/18/948377218.db2.gz CCVLZSQZQQBUDR-NWDGAFQWSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCCO1)C(C)(C)C ZINC001573704790 948383101 /nfs/dbraw/zinc/38/31/01/948383101.db2.gz AMDKBMRBUKHUBH-STQMWFEESA-N -1 1 388.476 1.050 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCCO1)C(C)(C)C ZINC001573704790 948383110 /nfs/dbraw/zinc/38/31/10/948383110.db2.gz AMDKBMRBUKHUBH-STQMWFEESA-N -1 1 388.476 1.050 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001573705407 948400451 /nfs/dbraw/zinc/40/04/51/948400451.db2.gz WNIILRKHVWAQPX-KBPBESRZSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@H](C(=O)NCC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001573714296 948471537 /nfs/dbraw/zinc/47/15/37/948471537.db2.gz FLLWRIZKYXMACP-KGLIPLIRSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](C(=O)NCC[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1)c1ccccc1F ZINC001573716594 948500229 /nfs/dbraw/zinc/50/02/29/948500229.db2.gz INHKTSHEHSLZHC-NWDGAFQWSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@@H](C(=O)NCC[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1)c1ccccc1F ZINC001573716594 948500239 /nfs/dbraw/zinc/50/02/39/948500239.db2.gz INHKTSHEHSLZHC-NWDGAFQWSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H](C(=O)NCC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C)C(C)(C)C ZINC001573716563 948500839 /nfs/dbraw/zinc/50/08/39/948500839.db2.gz HWPYPEQJJJPFPA-MGPQQGTHSA-N -1 1 386.504 1.918 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccsc1 ZINC001573730523 948580768 /nfs/dbraw/zinc/58/07/68/948580768.db2.gz QKPRBCXVCPLNMR-NQBHXWOUSA-N -1 1 384.469 1.251 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573740431 948634788 /nfs/dbraw/zinc/63/47/88/948634788.db2.gz OWOKPIWYSDJIKT-JLIMGVALSA-N -1 1 382.350 1.081 20 0 GDADMM C[C@@H](NC(=O)[C@H](C)C1CCC1)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573740488 948636125 /nfs/dbraw/zinc/63/61/25/948636125.db2.gz PXPZRBFURNHZFU-CHWSQXEVSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](NC(=O)[C@H](C)C1CCC1)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573740488 948636132 /nfs/dbraw/zinc/63/61/32/948636132.db2.gz PXPZRBFURNHZFU-CHWSQXEVSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)c1ccc(Cl)s1 ZINC001573742664 948662620 /nfs/dbraw/zinc/66/26/20/948662620.db2.gz PEYLGFQYOWDHFE-RKDXNWHRSA-N -1 1 392.876 1.514 20 0 GDADMM CC(C)[C@@H](F)C(=O)N1CCC[C@H](CN(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574075637 948746877 /nfs/dbraw/zinc/74/68/77/948746877.db2.gz XPTFLTFCSQIPNF-TZMCWYRMSA-N -1 1 376.440 1.326 20 0 GDADMM CC(C)[C@@H](F)C(=O)N1CC[C@@]2(C1)CCCN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001574075659 948747275 /nfs/dbraw/zinc/74/72/75/948747275.db2.gz YJTUMDPGDXCAQY-KDOFPFPSSA-N -1 1 388.451 1.470 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccc(C(F)F)o1 ZINC001574678707 948755764 /nfs/dbraw/zinc/75/57/64/948755764.db2.gz IFJBYACGZXOMHO-QMMMGPOBSA-N -1 1 378.343 1.808 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccc(C(F)F)o1 ZINC001574678707 948755775 /nfs/dbraw/zinc/75/57/75/948755775.db2.gz IFJBYACGZXOMHO-QMMMGPOBSA-N -1 1 378.343 1.808 20 0 GDADMM CC(C)c1cccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nnn[n-]2)n1 ZINC001574416666 948756436 /nfs/dbraw/zinc/75/64/36/948756436.db2.gz CBQXXOWWPTYKNY-STQMWFEESA-N -1 1 391.439 1.278 20 0 GDADMM CC(C)c1cccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccnc2-c2nn[n-]n2)n1 ZINC001574416666 948756447 /nfs/dbraw/zinc/75/64/47/948756447.db2.gz CBQXXOWWPTYKNY-STQMWFEESA-N -1 1 391.439 1.278 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCc2cccnc21 ZINC001574678725 948756702 /nfs/dbraw/zinc/75/67/02/948756702.db2.gz IHRJFCUUOGIBDV-YPMHNXCESA-N -1 1 379.428 1.088 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCc2cccnc21 ZINC001574678725 948756715 /nfs/dbraw/zinc/75/67/15/948756715.db2.gz IHRJFCUUOGIBDV-YPMHNXCESA-N -1 1 379.428 1.088 20 0 GDADMM CC(C)c1cccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nnn[n-]3)cn2)c1 ZINC001574416684 948757168 /nfs/dbraw/zinc/75/71/68/948757168.db2.gz DGOMZPYHPPJJJJ-HOTGVXAUSA-N -1 1 390.451 1.883 20 0 GDADMM CC(C)c1cccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cnc(-c3nn[n-]n3)cn2)c1 ZINC001574416684 948757176 /nfs/dbraw/zinc/75/71/76/948757176.db2.gz DGOMZPYHPPJJJJ-HOTGVXAUSA-N -1 1 390.451 1.883 20 0 GDADMM C[C@H](CNC(=O)CCc1cc(Cl)cs1)Nc1nccnc1-c1nnn[n-]1 ZINC001574914828 948757334 /nfs/dbraw/zinc/75/73/34/948757334.db2.gz NQSRZBWFZATKHV-SECBINFHSA-N -1 1 392.876 1.921 20 0 GDADMM C[C@H](CNC(=O)CCc1cc(Cl)cs1)Nc1nccnc1-c1nn[n-]n1 ZINC001574914828 948757341 /nfs/dbraw/zinc/75/73/41/948757341.db2.gz NQSRZBWFZATKHV-SECBINFHSA-N -1 1 392.876 1.921 20 0 GDADMM CC(C)c1cccc(C(=O)NC[C@@H](C)N(C)c2ccnc(-c3nn[n-]n3)n2)n1 ZINC001574416729 948760073 /nfs/dbraw/zinc/76/00/73/948760073.db2.gz FPRXJXGRYCZQOB-GFCCVEGCSA-N -1 1 381.444 1.430 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N[C@@H](C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001574679265 948773525 /nfs/dbraw/zinc/77/35/25/948773525.db2.gz RIRKLUDZEXEMRY-NSHDSACASA-N -1 1 384.448 1.134 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N[C@@H](C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001574679265 948773540 /nfs/dbraw/zinc/77/35/40/948773540.db2.gz RIRKLUDZEXEMRY-NSHDSACASA-N -1 1 384.448 1.134 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cnn(C2CCC2)c1 ZINC001574679636 948792703 /nfs/dbraw/zinc/79/27/03/948792703.db2.gz ZGNXFJCMSKNCBP-LLVKDONJSA-N -1 1 382.432 1.199 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cnn(C2CCC2)c1 ZINC001574679636 948792714 /nfs/dbraw/zinc/79/27/14/948792714.db2.gz ZGNXFJCMSKNCBP-LLVKDONJSA-N -1 1 382.432 1.199 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[C@@H]1CCC(C)(C)CO1 ZINC001574680498 948804367 /nfs/dbraw/zinc/80/43/67/948804367.db2.gz HNODHQFXDHYVNM-OLZOCXBDSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[C@@H]1CCC(C)(C)CO1 ZINC001574680498 948804384 /nfs/dbraw/zinc/80/43/84/948804384.db2.gz HNODHQFXDHYVNM-OLZOCXBDSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)c1ccoc1C(=O)N1C[C@H](Nc2nccnc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001574421138 948812949 /nfs/dbraw/zinc/81/29/49/948812949.db2.gz HYDNKJMRQHZRBM-AAEUAGOBSA-N -1 1 382.428 1.946 20 0 GDADMM CC(C)c1ccoc1C(=O)N1C[C@H](Nc2nccnc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001574421138 948812974 /nfs/dbraw/zinc/81/29/74/948812974.db2.gz HYDNKJMRQHZRBM-AAEUAGOBSA-N -1 1 382.428 1.946 20 0 GDADMM C[C@@H](CNC(=O)CCc1ccon1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574917325 948814605 /nfs/dbraw/zinc/81/46/05/948814605.db2.gz WPEUBNHGUBDSIK-ZETCQYMHSA-N -1 1 382.837 1.514 20 0 GDADMM CC(C)[C@H](F)C(=O)NCCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574081284 948828001 /nfs/dbraw/zinc/82/80/01/948828001.db2.gz RSMXFBFMWXPZNP-AWEZNQCLSA-N -1 1 376.440 1.374 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1coc(C2CCC2)n1 ZINC001574682196 948828793 /nfs/dbraw/zinc/82/87/93/948828793.db2.gz PRBZKTWKVGKVOE-JTQLQIEISA-N -1 1 383.416 1.533 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1coc(C2CCC2)n1 ZINC001574682196 948828816 /nfs/dbraw/zinc/82/88/16/948828816.db2.gz PRBZKTWKVGKVOE-JTQLQIEISA-N -1 1 383.416 1.533 20 0 GDADMM CC(C)c1ccoc1C(=O)NC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001574422239 948830027 /nfs/dbraw/zinc/83/00/27/948830027.db2.gz XRYPROMRPXBCNW-ZDUSSCGKSA-N -1 1 382.428 1.416 20 0 GDADMM CC(C)c1ccoc1C(=O)NC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001574422236 948830404 /nfs/dbraw/zinc/83/04/04/948830404.db2.gz XRYPROMRPXBCNW-CYBMUJFWSA-N -1 1 382.428 1.416 20 0 GDADMM C[C@@H](CNC(=O)CCCc1ccccn1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574918517 948851247 /nfs/dbraw/zinc/85/12/47/948851247.db2.gz MFLONXSSABWHPA-CYBMUJFWSA-N -1 1 381.444 1.239 20 0 GDADMM C[C@@H](CNC(=O)CCCc1ccccn1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574918517 948851266 /nfs/dbraw/zinc/85/12/66/948851266.db2.gz MFLONXSSABWHPA-CYBMUJFWSA-N -1 1 381.444 1.239 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)[C@@]1(F)CCOC1 ZINC001574684059 948853426 /nfs/dbraw/zinc/85/34/26/948853426.db2.gz AQEXIYWJUDWEJY-FUXBKTLASA-N -1 1 389.844 1.412 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)[C@@]1(F)CCOC1 ZINC001574684059 948853442 /nfs/dbraw/zinc/85/34/42/948853442.db2.gz AQEXIYWJUDWEJY-FUXBKTLASA-N -1 1 389.844 1.412 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)[C@]1(F)CCOC1 ZINC001574684060 948855445 /nfs/dbraw/zinc/85/54/45/948855445.db2.gz AQEXIYWJUDWEJY-UHLUBPPHSA-N -1 1 389.844 1.412 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)[C@]1(F)CCOC1 ZINC001574684060 948855464 /nfs/dbraw/zinc/85/54/64/948855464.db2.gz AQEXIYWJUDWEJY-UHLUBPPHSA-N -1 1 389.844 1.412 20 0 GDADMM CC(F)(F)CC(=O)N[C@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001575230014 948864051 /nfs/dbraw/zinc/86/40/51/948864051.db2.gz ZACITTINTZWWJS-LURJTMIESA-N -1 1 377.808 1.717 20 0 GDADMM CC(C)(C(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001573763103 948865451 /nfs/dbraw/zinc/86/54/51/948865451.db2.gz AXLDEJPGDRVDIZ-HUUCEWRRSA-N -1 1 382.472 1.663 20 0 GDADMM CC(C)(C(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001573763103 948865476 /nfs/dbraw/zinc/86/54/76/948865476.db2.gz AXLDEJPGDRVDIZ-HUUCEWRRSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)Cn1cccn1 ZINC001574684274 948865987 /nfs/dbraw/zinc/86/59/87/948865987.db2.gz CTYPNQQKGCDFNY-MRVPVSSYSA-N -1 1 381.853 1.180 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)Cn1cccn1 ZINC001574684274 948866001 /nfs/dbraw/zinc/86/60/01/948866001.db2.gz CTYPNQQKGCDFNY-MRVPVSSYSA-N -1 1 381.853 1.180 20 0 GDADMM CC(C)(C(=O)N1CCC[C@H]2[C@@H]1CCN2c1cnc(-c2nnn[n-]2)cn1)C(F)F ZINC001573763720 948871914 /nfs/dbraw/zinc/87/19/14/948871914.db2.gz GISMSTMHMXLTQK-RYUDHWBXSA-N -1 1 392.414 1.518 20 0 GDADMM CC(C)(C(=O)N1CCC[C@H]2[C@@H]1CCN2c1cnc(-c2nn[n-]n2)cn1)C(F)F ZINC001573763720 948871928 /nfs/dbraw/zinc/87/19/28/948871928.db2.gz GISMSTMHMXLTQK-RYUDHWBXSA-N -1 1 392.414 1.518 20 0 GDADMM CC(C)c1nc(C(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cs1 ZINC001574425751 948884492 /nfs/dbraw/zinc/88/44/92/948884492.db2.gz MUOFLLXHBZYMBL-AOOOYVTPSA-N -1 1 385.457 1.031 20 0 GDADMM CC(C)(C(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573764281 948887804 /nfs/dbraw/zinc/88/78/04/948887804.db2.gz LLHPYPJYFARGNE-ZIAGYGMSSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)c1ncccn1 ZINC001574685247 948902970 /nfs/dbraw/zinc/90/29/70/948902970.db2.gz UFBMGEBLALKXLY-ZETCQYMHSA-N -1 1 379.837 1.387 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001575234774 948905904 /nfs/dbraw/zinc/90/59/04/948905904.db2.gz FFHFNHRJIVMTTG-CMPLNLGQSA-N -1 1 378.387 1.129 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001575234774 948905917 /nfs/dbraw/zinc/90/59/17/948905917.db2.gz FFHFNHRJIVMTTG-CMPLNLGQSA-N -1 1 378.387 1.129 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575234764 948906465 /nfs/dbraw/zinc/90/64/65/948906465.db2.gz DTOUYLATBHTMGL-OAHLLOKOSA-N -1 1 380.403 1.165 20 0 GDADMM CC(C)c1ncc(C(=O)NCC[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)s1 ZINC001574427632 948907295 /nfs/dbraw/zinc/90/72/95/948907295.db2.gz KUZMISCVUOXKNO-JTQLQIEISA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)c1ncc(C(=O)NCC[C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)s1 ZINC001574427632 948907304 /nfs/dbraw/zinc/90/73/04/948907304.db2.gz KUZMISCVUOXKNO-JTQLQIEISA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)(C(=O)N1CCO[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)C1CCC1 ZINC001573765547 948912304 /nfs/dbraw/zinc/91/23/04/948912304.db2.gz NAOFJHQCNZFMKD-ZDUSSCGKSA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)(C(=O)N1CCO[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)C1CCC1 ZINC001573765547 948912315 /nfs/dbraw/zinc/91/23/15/948912315.db2.gz NAOFJHQCNZFMKD-ZDUSSCGKSA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)c1ncc(C(=O)N(C)[C@H](C)CNc2ccc(-c3nnn[n-]3)nn2)s1 ZINC001574427941 948918275 /nfs/dbraw/zinc/91/82/75/948918275.db2.gz VAPRHMLQWSCTGT-SNVBAGLBSA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)c1ncc(C(=O)N(C)[C@H](C)CNc2ccc(-c3nn[n-]n3)nn2)s1 ZINC001574427941 948918284 /nfs/dbraw/zinc/91/82/84/948918284.db2.gz VAPRHMLQWSCTGT-SNVBAGLBSA-N -1 1 387.473 1.809 20 0 GDADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)c1ccnn1C ZINC001574685768 948919846 /nfs/dbraw/zinc/91/98/46/948919846.db2.gz ZRJFQNBRMZJHRU-ZETCQYMHSA-N -1 1 381.853 1.331 20 0 GDADMM CC(C)(C(=O)N1CCCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C1CC1 ZINC001573765718 948921008 /nfs/dbraw/zinc/92/10/08/948921008.db2.gz ZUVTWINICDDWEM-CYBMUJFWSA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)(C(=O)N1CCCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C1CC1 ZINC001573765718 948921033 /nfs/dbraw/zinc/92/10/33/948921033.db2.gz ZUVTWINICDDWEM-CYBMUJFWSA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)s1 ZINC001574427997 948922521 /nfs/dbraw/zinc/92/25/21/948922521.db2.gz XFAMVINNEQDIBU-JTQLQIEISA-N -1 1 385.457 1.245 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001575235535 948923481 /nfs/dbraw/zinc/92/34/81/948923481.db2.gz NYVVPXPYUIPKDV-LLVKDONJSA-N -1 1 380.403 1.743 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001575235535 948923489 /nfs/dbraw/zinc/92/34/89/948923489.db2.gz NYVVPXPYUIPKDV-LLVKDONJSA-N -1 1 380.403 1.743 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001575235582 948923651 /nfs/dbraw/zinc/92/36/51/948923651.db2.gz PNRCYPKSBVNMAN-KRWDZBQOSA-N -1 1 392.414 1.521 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)NC1(CNc2ccc(-c3nnn[n-]3)nn2)CCOCC1 ZINC001574088618 948931406 /nfs/dbraw/zinc/93/14/06/948931406.db2.gz BQPHFTBQBXIJNO-CHWSQXEVSA-N -1 1 386.460 1.026 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)NC1(CNc2ccc(-c3nn[n-]n3)nn2)CCOCC1 ZINC001574088618 948931415 /nfs/dbraw/zinc/93/14/15/948931415.db2.gz BQPHFTBQBXIJNO-CHWSQXEVSA-N -1 1 386.460 1.026 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C1CCC1 ZINC001573771280 948939795 /nfs/dbraw/zinc/93/97/95/948939795.db2.gz FANAGFKANXWWDR-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C1CCC1 ZINC001573771280 948939807 /nfs/dbraw/zinc/93/98/07/948939807.db2.gz FANAGFKANXWWDR-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)c1ncsc1C(=O)NCC[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574433102 948945977 /nfs/dbraw/zinc/94/59/77/948945977.db2.gz GTUAVFJVEDGWCS-JTQLQIEISA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)c1ncsc1C(=O)NCC[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574433102 948945994 /nfs/dbraw/zinc/94/59/94/948945994.db2.gz GTUAVFJVEDGWCS-JTQLQIEISA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1CCCC1 ZINC001573771875 948947620 /nfs/dbraw/zinc/94/76/20/948947620.db2.gz NCLGEWAWHKQBIQ-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1CCCC1 ZINC001573771875 948947628 /nfs/dbraw/zinc/94/76/28/948947628.db2.gz NCLGEWAWHKQBIQ-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)[C@H]1C[C@H](C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CCO1 ZINC001574089188 948950889 /nfs/dbraw/zinc/95/08/89/948950889.db2.gz DJYMSAIQWANZRJ-GUIRCDHDSA-N -1 1 386.460 1.167 20 0 GDADMM CC(C)[C@H]1C[C@H](C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CCO1 ZINC001574089188 948950901 /nfs/dbraw/zinc/95/09/01/948950901.db2.gz DJYMSAIQWANZRJ-GUIRCDHDSA-N -1 1 386.460 1.167 20 0 GDADMM CC(C)[C@@H]1C[C@@H](C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CCO1 ZINC001574089193 948950952 /nfs/dbraw/zinc/95/09/52/948950952.db2.gz DJYMSAIQWANZRJ-XPCVCDNBSA-N -1 1 386.460 1.167 20 0 GDADMM CC(C)[C@@H]1C[C@@H](C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CCO1 ZINC001574089193 948950956 /nfs/dbraw/zinc/95/09/56/948950956.db2.gz DJYMSAIQWANZRJ-XPCVCDNBSA-N -1 1 386.460 1.167 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C12CCC2)C(F)F ZINC001573772106 948951586 /nfs/dbraw/zinc/95/15/86/948951586.db2.gz QRWZLVOCWQJNDW-UWVGGRQHSA-N -1 1 392.414 1.787 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C12CCC2)C(F)F ZINC001573772106 948951599 /nfs/dbraw/zinc/95/15/99/948951599.db2.gz QRWZLVOCWQJNDW-UWVGGRQHSA-N -1 1 392.414 1.787 20 0 GDADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001574089360 948953547 /nfs/dbraw/zinc/95/35/47/948953547.db2.gz JNHYZIYEUBMZHL-FZKQIMNGSA-N -1 1 384.488 1.602 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574433464 948956343 /nfs/dbraw/zinc/95/63/43/948956343.db2.gz OIZWSFVFFTXPPU-JTQLQIEISA-N -1 1 385.457 1.245 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574433464 948956352 /nfs/dbraw/zinc/95/63/52/948956352.db2.gz OIZWSFVFFTXPPU-JTQLQIEISA-N -1 1 385.457 1.245 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nnn[n-]3)n1)C2)C(F)F ZINC001573772870 948969876 /nfs/dbraw/zinc/96/98/76/948969876.db2.gz XKKRJBFELBBNHF-DCAQKATOSA-N -1 1 392.414 1.422 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1cncc(-c3nn[n-]n3)n1)C2)C(F)F ZINC001573772870 948969882 /nfs/dbraw/zinc/96/98/82/948969882.db2.gz XKKRJBFELBBNHF-DCAQKATOSA-N -1 1 392.414 1.422 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)N1CCC(CN(C)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574089955 948972362 /nfs/dbraw/zinc/97/23/62/948972362.db2.gz GSQDRDVSXVUKFF-CABCVRRESA-N -1 1 384.488 1.624 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1)C(F)F ZINC001573773353 948981309 /nfs/dbraw/zinc/98/13/09/948981309.db2.gz LPBRCHSIEZMNHX-LURJTMIESA-N -1 1 391.835 1.963 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1)C(F)F ZINC001573773353 948981316 /nfs/dbraw/zinc/98/13/16/948981316.db2.gz LPBRCHSIEZMNHX-LURJTMIESA-N -1 1 391.835 1.963 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H](C)c1ccccc1F ZINC001574691402 949020227 /nfs/dbraw/zinc/02/02/27/949020227.db2.gz XIBRIHAWFGLZGJ-RYUDHWBXSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H](C)c1ccccc1F ZINC001574691402 949020247 /nfs/dbraw/zinc/02/02/47/949020247.db2.gz XIBRIHAWFGLZGJ-RYUDHWBXSA-N -1 1 384.419 1.906 20 0 GDADMM CC(C)(C(=O)NCC1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001573778992 949049517 /nfs/dbraw/zinc/04/95/17/949049517.db2.gz BRPSTWKHHSUAED-UHFFFAOYSA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)(C(=O)NCC1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001573778992 949049537 /nfs/dbraw/zinc/04/95/37/949049537.db2.gz BRPSTWKHHSUAED-UHFFFAOYSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](CNC(=O)COC(C)(C)C)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574928295 949053874 /nfs/dbraw/zinc/05/38/74/949053874.db2.gz OMJRIBBPYCNHNH-MRVPVSSYSA-N -1 1 387.897 1.956 20 0 GDADMM C[C@@H](CN(C)C(=O)C(C)(C)c1ccccc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574693782 949060198 /nfs/dbraw/zinc/06/01/98/949060198.db2.gz JGCHKTPZUBIGRR-ZDUSSCGKSA-N -1 1 380.456 1.315 20 0 GDADMM CC(C)c1occc1C(=O)N1C[C@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574441796 949077485 /nfs/dbraw/zinc/07/74/85/949077485.db2.gz XHYCAEQKSKMLDZ-WCQYABFASA-N -1 1 382.428 1.368 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001573780297 949088610 /nfs/dbraw/zinc/08/86/10/949088610.db2.gz VMNCVYPVTZODRI-AWEZNQCLSA-N -1 1 392.467 1.577 20 0 GDADMM CC(C)(C(=O)NCC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CCC1 ZINC001573781603 949107025 /nfs/dbraw/zinc/10/70/25/949107025.db2.gz KATHFEUJPOIXLM-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C(=O)NCC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CCC1 ZINC001573781603 949107041 /nfs/dbraw/zinc/10/70/41/949107041.db2.gz KATHFEUJPOIXLM-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)CC[C@@H]1CC(C)(C)CO1 ZINC001574695228 949109950 /nfs/dbraw/zinc/10/99/50/949109950.db2.gz FRBXHFSAENIDJI-CHWSQXEVSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)CC[C@@H]1CC(C)(C)CO1 ZINC001574695228 949109963 /nfs/dbraw/zinc/10/99/63/949109963.db2.gz FRBXHFSAENIDJI-CHWSQXEVSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C(=O)NCC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C(F)F ZINC001573781636 949111281 /nfs/dbraw/zinc/11/12/81/949111281.db2.gz LOLAAJAOTFBFJG-SNVBAGLBSA-N -1 1 380.403 1.281 20 0 GDADMM CC(C)(C(=O)NCC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C(F)F ZINC001573781636 949111293 /nfs/dbraw/zinc/11/12/93/949111293.db2.gz LOLAAJAOTFBFJG-SNVBAGLBSA-N -1 1 380.403 1.281 20 0 GDADMM C[C@H](NC(=O)C1(CF)CCC1)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575251780 949148110 /nfs/dbraw/zinc/14/81/10/949148110.db2.gz CRMSOPJEGUFWSV-QWHCGFSZSA-N -1 1 388.451 1.518 20 0 GDADMM C[C@H](NC(=O)C1(CF)CCC1)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575251780 949148123 /nfs/dbraw/zinc/14/81/23/949148123.db2.gz CRMSOPJEGUFWSV-QWHCGFSZSA-N -1 1 388.451 1.518 20 0 GDADMM CC(C)[C@@H]1C[C@H](C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CCO1 ZINC001574095421 949148999 /nfs/dbraw/zinc/14/89/99/949148999.db2.gz XZNSBZABLZAVFD-YPMHNXCESA-N -1 1 376.465 1.014 20 0 GDADMM CC(C)[C@@H]1C[C@H](C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CCO1 ZINC001574095421 949149008 /nfs/dbraw/zinc/14/90/08/949149008.db2.gz XZNSBZABLZAVFD-YPMHNXCESA-N -1 1 376.465 1.014 20 0 GDADMM CC(C)c1ocnc1C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001574446985 949149438 /nfs/dbraw/zinc/14/94/38/949149438.db2.gz DZFYVTPBEXIDBU-GHMZBOCLSA-N -1 1 383.416 1.023 20 0 GDADMM CC(C)c1ocnc1C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001574446985 949149454 /nfs/dbraw/zinc/14/94/54/949149454.db2.gz DZFYVTPBEXIDBU-GHMZBOCLSA-N -1 1 383.416 1.023 20 0 GDADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)C12CCC(CC1)C2(C)C ZINC001575252071 949156342 /nfs/dbraw/zinc/15/63/42/949156342.db2.gz DRGMQEYRIVBPEP-MLUJGOTHSA-N -1 1 384.488 1.600 20 0 GDADMM CC(C)c1ocnc1C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001574447692 949171222 /nfs/dbraw/zinc/17/12/22/949171222.db2.gz XUOJVJFWHRDZST-GFCCVEGCSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1ocnc1C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001574447692 949171237 /nfs/dbraw/zinc/17/12/37/949171237.db2.gz XUOJVJFWHRDZST-GFCCVEGCSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)[C@@H]1CCCCO1 ZINC001573787338 949174332 /nfs/dbraw/zinc/17/43/32/949174332.db2.gz UDQBEFZBMIWPGO-XQQFMLRXSA-N -1 1 386.460 1.311 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)[C@@H]1CCCCO1 ZINC001573787338 949174345 /nfs/dbraw/zinc/17/43/45/949174345.db2.gz UDQBEFZBMIWPGO-XQQFMLRXSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@H](NC(=O)C1(C(F)F)CCCC1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575253054 949180008 /nfs/dbraw/zinc/18/00/08/949180008.db2.gz SAHUVXOFWGURIF-UWVGGRQHSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@H](NC(=O)C1(C(F)F)CCCC1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575253054 949180026 /nfs/dbraw/zinc/18/00/26/949180026.db2.gz SAHUVXOFWGURIF-UWVGGRQHSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H](C)c1cccc(F)c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574698593 949199463 /nfs/dbraw/zinc/19/94/63/949199463.db2.gz MXWFXFQHEIFRKZ-RYUDHWBXSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H](C)c1cccc(F)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574698593 949199478 /nfs/dbraw/zinc/19/94/78/949199478.db2.gz MXWFXFQHEIFRKZ-RYUDHWBXSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(F)c(F)c1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574935772 949204885 /nfs/dbraw/zinc/20/48/85/949204885.db2.gz GHFXXPKIBGEHHL-JTQLQIEISA-N -1 1 388.382 1.119 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@@H](C)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574451075 949211912 /nfs/dbraw/zinc/21/19/12/949211912.db2.gz ARQQRDRDFDVCOZ-UWVGGRQHSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@@H](C)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574451075 949211933 /nfs/dbraw/zinc/21/19/33/949211933.db2.gz ARQQRDRDFDVCOZ-UWVGGRQHSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1scnc1C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574451062 949214216 /nfs/dbraw/zinc/21/42/16/949214216.db2.gz ADCUMJPBIWSZPQ-UHFFFAOYSA-N -1 1 385.457 1.611 20 0 GDADMM CC(C)c1scnc1C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574451062 949214231 /nfs/dbraw/zinc/21/42/31/949214231.db2.gz ADCUMJPBIWSZPQ-UHFFFAOYSA-N -1 1 385.457 1.611 20 0 GDADMM C[C@@H]1CCC[C@]1(C)C(=O)NCC1=CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576151258 949214274 /nfs/dbraw/zinc/21/42/74/949214274.db2.gz FJPQOKYRFOUJMY-YJYMSZOUSA-N -1 1 382.472 1.736 20 0 GDADMM C[C@@H]1CCC[C@]1(C)C(=O)NCC1=CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576151258 949214287 /nfs/dbraw/zinc/21/42/87/949214287.db2.gz FJPQOKYRFOUJMY-YJYMSZOUSA-N -1 1 382.472 1.736 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@H](C)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574451227 949220212 /nfs/dbraw/zinc/22/02/12/949220212.db2.gz HRGCTHJPINAUET-NXEZZACHSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@H](C)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574451227 949220235 /nfs/dbraw/zinc/22/02/35/949220235.db2.gz HRGCTHJPINAUET-NXEZZACHSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1oncc1C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001574451201 949223472 /nfs/dbraw/zinc/22/34/72/949223472.db2.gz GZMHKUQGXHVUFX-ZYHUDNBSSA-N -1 1 383.416 1.023 20 0 GDADMM CC(C)c1oncc1C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001574451201 949223490 /nfs/dbraw/zinc/22/34/90/949223490.db2.gz GZMHKUQGXHVUFX-ZYHUDNBSSA-N -1 1 383.416 1.023 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@@H](C)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574451228 949223683 /nfs/dbraw/zinc/22/36/83/949223683.db2.gz HRGCTHJPINAUET-UWVGGRQHSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@@H](C)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574451228 949223702 /nfs/dbraw/zinc/22/37/02/949223702.db2.gz HRGCTHJPINAUET-UWVGGRQHSA-N -1 1 387.473 1.856 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)CC(F)(F)F)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575255383 949234250 /nfs/dbraw/zinc/23/42/50/949234250.db2.gz ZQPFSVKDIALMNE-RKDXNWHRSA-N -1 1 386.382 1.940 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)CC(F)(F)F)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575255383 949234275 /nfs/dbraw/zinc/23/42/75/949234275.db2.gz ZQPFSVKDIALMNE-RKDXNWHRSA-N -1 1 386.382 1.940 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H](F)Cc1ccccc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574699478 949238815 /nfs/dbraw/zinc/23/88/15/949238815.db2.gz VICMCJXXBBVTAH-JSGCOSHPSA-N -1 1 384.419 1.496 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H](F)Cc1ccccc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574699478 949238841 /nfs/dbraw/zinc/23/88/41/949238841.db2.gz VICMCJXXBBVTAH-JSGCOSHPSA-N -1 1 384.419 1.496 20 0 GDADMM CC[C@]1(C(=O)[O-])CCCN(CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC001589605223 949241315 /nfs/dbraw/zinc/24/13/15/949241315.db2.gz NMSYFTOOMBBZKQ-SFHVURJKSA-N -1 1 397.497 1.452 20 0 GDADMM C[C@@H]1CCC[C@H](C(=O)N2CCC(N(C)c3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001576152206 949243526 /nfs/dbraw/zinc/24/35/26/949243526.db2.gz IZNLLCJYOGKZEA-KGLIPLIRSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)(C)C(=O)C(=O)N1CCCC[C@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001573792559 949253034 /nfs/dbraw/zinc/25/30/34/949253034.db2.gz ALMUSTAJOVIZHT-LBPRGKRZSA-N -1 1 386.460 1.455 20 0 GDADMM CC(C)(C)C(=O)C(=O)N1CCCC[C@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001573792559 949253051 /nfs/dbraw/zinc/25/30/51/949253051.db2.gz ALMUSTAJOVIZHT-LBPRGKRZSA-N -1 1 386.460 1.455 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(Cl)c1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574940230 949255400 /nfs/dbraw/zinc/25/54/00/949255400.db2.gz CAKVTZJOLMYAKX-LLVKDONJSA-N -1 1 386.847 1.494 20 0 GDADMM C[C@H](NC(=O)C1CC2(C1)CCOCC2)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575257549 949276142 /nfs/dbraw/zinc/27/61/42/949276142.db2.gz AIBZQWJZPZAAAW-RYUDHWBXSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@H](NC(=O)C1CC2(C1)CCOCC2)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575257549 949276161 /nfs/dbraw/zinc/27/61/61/949276161.db2.gz AIBZQWJZPZAAAW-RYUDHWBXSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(Cl)c1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574940962 949283738 /nfs/dbraw/zinc/28/37/38/949283738.db2.gz NBUSNSNLEGGZSJ-NSHDSACASA-N -1 1 386.847 1.494 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(Cl)c1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574940962 949283755 /nfs/dbraw/zinc/28/37/55/949283755.db2.gz NBUSNSNLEGGZSJ-NSHDSACASA-N -1 1 386.847 1.494 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(F)c1F)CNc1nccnc1-c1nnn[n-]1 ZINC001574940983 949284512 /nfs/dbraw/zinc/28/45/12/949284512.db2.gz NNEFTRBCAKMIAP-SNVBAGLBSA-N -1 1 388.382 1.342 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(F)c1F)CNc1nccnc1-c1nn[n-]n1 ZINC001574940983 949284533 /nfs/dbraw/zinc/28/45/33/949284533.db2.gz NNEFTRBCAKMIAP-SNVBAGLBSA-N -1 1 388.382 1.342 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@]1(C)CCOC1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574702889 949301516 /nfs/dbraw/zinc/30/15/16/949301516.db2.gz NKOVUXZBBFKEQB-RMLUDKJBSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@]1(C)CCOC1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574702889 949301531 /nfs/dbraw/zinc/30/15/31/949301531.db2.gz NKOVUXZBBFKEQB-RMLUDKJBSA-N -1 1 385.881 1.662 20 0 GDADMM CC1=C(C)C[C@H](C(=O)NC[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575860495 949305432 /nfs/dbraw/zinc/30/54/32/949305432.db2.gz JHJNEOYJURTNAB-LSDHHAIUSA-N -1 1 382.472 1.736 20 0 GDADMM C[C@@H](NC(=O)C1CC(F)(F)C1)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575258922 949317691 /nfs/dbraw/zinc/31/76/91/949317691.db2.gz LZJWIDUDXMEBQT-MNOVXSKESA-N -1 1 392.414 1.423 20 0 GDADMM C[C@@H](NC(=O)C1CC(F)(F)C1)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575258922 949317718 /nfs/dbraw/zinc/31/77/18/949317718.db2.gz LZJWIDUDXMEBQT-MNOVXSKESA-N -1 1 392.414 1.423 20 0 GDADMM CC(C)n1ccc(C(=O)NCC2CC(Nc3ccc(-c4nnn[n-]4)nn3)C2)n1 ZINC001574457394 949328394 /nfs/dbraw/zinc/32/83/94/949328394.db2.gz KCRZOBPTUNXWKW-UHFFFAOYSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1ccc(C(=O)NCC2CC(Nc3ccc(-c4nn[n-]n4)nn3)C2)n1 ZINC001574457394 949328414 /nfs/dbraw/zinc/32/84/14/949328414.db2.gz KCRZOBPTUNXWKW-UHFFFAOYSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@H]1CCC[C@@H](C(=O)N(C)C2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001576154656 949354056 /nfs/dbraw/zinc/35/40/56/949354056.db2.gz QWYGSKWTANOOCD-UONOGXRCSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CCC[C@@H](C(=O)N(C)C2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001576154656 949354079 /nfs/dbraw/zinc/35/40/79/949354079.db2.gz QWYGSKWTANOOCD-UONOGXRCSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)n1cccc1C(=O)N(C)CCCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574459879 949365350 /nfs/dbraw/zinc/36/53/50/949365350.db2.gz NWDOZTACBAMVBR-UHFFFAOYSA-N -1 1 383.460 1.638 20 0 GDADMM CC(C)n1cccc1C(=O)N(C)CCCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574459879 949365373 /nfs/dbraw/zinc/36/53/73/949365373.db2.gz NWDOZTACBAMVBR-UHFFFAOYSA-N -1 1 383.460 1.638 20 0 GDADMM C[C@@H](CN(C)C(=O)C1=CCOCC1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574704156 949368698 /nfs/dbraw/zinc/36/86/98/949368698.db2.gz LNHZSLYLZJYQMD-QMMMGPOBSA-N -1 1 383.865 1.582 20 0 GDADMM C[C@@H](CN(C)C(=O)C1=CCOCC1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574704156 949368718 /nfs/dbraw/zinc/36/87/18/949368718.db2.gz LNHZSLYLZJYQMD-QMMMGPOBSA-N -1 1 383.865 1.582 20 0 GDADMM C[C@H](NC(=O)CC(C)(F)F)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575262442 949371761 /nfs/dbraw/zinc/37/17/61/949371761.db2.gz AJISXZZATGUHLK-WDEREUQCSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H](NC(=O)CC(C)(F)F)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575262442 949371783 /nfs/dbraw/zinc/37/17/83/949371783.db2.gz AJISXZZATGUHLK-WDEREUQCSA-N -1 1 380.403 1.423 20 0 GDADMM CC(C)n1cnc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC001574463895 949386223 /nfs/dbraw/zinc/38/62/23/949386223.db2.gz ALDQBOAVKXEUPT-MRXNPFEDSA-N -1 1 380.456 1.648 20 0 GDADMM C[C@H]1CCC[C@H]1CC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001576155309 949394684 /nfs/dbraw/zinc/39/46/84/949394684.db2.gz HWUNIMPMDLSWGS-ZQDZILKHSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H]1CCC[C@@H](C(=O)NCC2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001576155816 949419670 /nfs/dbraw/zinc/41/96/70/949419670.db2.gz VGJJAOJEAHCEMO-UKRRQHHQSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001574465107 949429009 /nfs/dbraw/zinc/42/90/09/949429009.db2.gz NUZIWPKQSMBRTL-CYBMUJFWSA-N -1 1 381.444 1.660 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001574465107 949429032 /nfs/dbraw/zinc/42/90/32/949429032.db2.gz NUZIWPKQSMBRTL-CYBMUJFWSA-N -1 1 381.444 1.660 20 0 GDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](C)NC(=O)CC(C)(C)C(F)(F)F ZINC001575264747 949432742 /nfs/dbraw/zinc/43/27/42/949432742.db2.gz PYCNDRFEXCCGKC-BDAKNGLRSA-N -1 1 386.382 1.940 20 0 GDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](C)NC(=O)CC(C)(C)C(F)(F)F ZINC001575264747 949432754 /nfs/dbraw/zinc/43/27/54/949432754.db2.gz PYCNDRFEXCCGKC-BDAKNGLRSA-N -1 1 386.382 1.940 20 0 GDADMM CC1(C(=O)N2CCC(CNc3cnc(-c4nnn[n-]4)cn3)CC2)CC(F)(F)C1 ZINC001575535223 949440214 /nfs/dbraw/zinc/44/02/14/949440214.db2.gz UFTUMTKGFPXFGM-UHFFFAOYSA-N -1 1 392.414 1.743 20 0 GDADMM CC1(C(=O)N2CCC(CNc3cnc(-c4nn[n-]n4)cn3)CC2)CC(F)(F)C1 ZINC001575535223 949440228 /nfs/dbraw/zinc/44/02/28/949440228.db2.gz UFTUMTKGFPXFGM-UHFFFAOYSA-N -1 1 392.414 1.743 20 0 GDADMM C[C@@H]1CCC[C@@H](OCC(=O)N(C)CCN(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576156466 949447031 /nfs/dbraw/zinc/44/70/31/949447031.db2.gz YNCSQXBKJRDGET-ZIAGYGMSSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@@H]1CCC[C@@H](OCC(=O)N(C)CCN(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576156466 949447047 /nfs/dbraw/zinc/44/70/47/949447047.db2.gz YNCSQXBKJRDGET-ZIAGYGMSSA-N -1 1 388.476 1.147 20 0 GDADMM CC1(C(=O)N2C[C@@H]3CCC[C@H](Nc4nccnc4-c4nnn[n-]4)[C@H]3C2)CCC1 ZINC001575535570 949450730 /nfs/dbraw/zinc/45/07/30/949450730.db2.gz YUZLCIWDMZUBKZ-IHRRRGAJSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(C(=O)N2C[C@@H]3CCC[C@H](Nc4nccnc4-c4nn[n-]n4)[C@H]3C2)CCC1 ZINC001575535570 949450742 /nfs/dbraw/zinc/45/07/42/949450742.db2.gz YUZLCIWDMZUBKZ-IHRRRGAJSA-N -1 1 382.472 1.886 20 0 GDADMM CC(C)(C)C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCC1(F)F ZINC001573803953 949457716 /nfs/dbraw/zinc/45/77/16/949457716.db2.gz YFLSRIMTVQJSSL-SNVBAGLBSA-N -1 1 380.403 1.281 20 0 GDADMM CC(C)n1nccc1C(=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574468523 949460561 /nfs/dbraw/zinc/46/05/61/949460561.db2.gz NPVIJASLXCYDCP-GFCCVEGCSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1nccc1C(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574468523 949460580 /nfs/dbraw/zinc/46/05/80/949460580.db2.gz NPVIJASLXCYDCP-GFCCVEGCSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1nccc1C(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001574469310 949476235 /nfs/dbraw/zinc/47/62/35/949476235.db2.gz AWAOMIBUWAWXOJ-LBPRGKRZSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1nccc1C(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001574469310 949476248 /nfs/dbraw/zinc/47/62/48/949476248.db2.gz AWAOMIBUWAWXOJ-LBPRGKRZSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@H]1CCC[C@H](C(=O)N2C[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]3C2)C1 ZINC001576157236 949478979 /nfs/dbraw/zinc/47/89/79/949478979.db2.gz ZJMAIDQRZUMLND-ZQDZILKHSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H]1CCC[C@H](C(=O)N2C[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]3C2)C1 ZINC001576157236 949478987 /nfs/dbraw/zinc/47/89/87/949478987.db2.gz ZJMAIDQRZUMLND-ZQDZILKHSA-N -1 1 382.472 1.378 20 0 GDADMM CC(C)CC(=O)NC[C@@H]1c2ccccc2CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001574117972 949484982 /nfs/dbraw/zinc/48/49/82/949484982.db2.gz CAJHHTSKBPNESG-QGZVFWFLSA-N -1 1 392.467 1.923 20 0 GDADMM CC(C)CC(=O)NC[C@@H]1c2ccccc2CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001574117972 949484998 /nfs/dbraw/zinc/48/49/98/949484998.db2.gz CAJHHTSKBPNESG-QGZVFWFLSA-N -1 1 392.467 1.923 20 0 GDADMM C[C@@H]1CCCC[C@H]1C(=O)N(C)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001576158869 949506432 /nfs/dbraw/zinc/50/64/32/949506432.db2.gz VJGMCONXNYLJBK-UKRRQHHQSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCCC[C@H]1C(=O)N(C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001576158869 949506452 /nfs/dbraw/zinc/50/64/52/949506452.db2.gz VJGMCONXNYLJBK-UKRRQHHQSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@]1(C(=O)N2CC[C@@]3(CCN(c4nccnc4-c4nnn[n-]4)C3)C2)C=CCC1 ZINC001575537933 949507284 /nfs/dbraw/zinc/50/72/84/949507284.db2.gz BTCKINGXDXNKDU-RBUKOAKNSA-N -1 1 380.456 1.442 20 0 GDADMM C[C@]1(C(=O)N2CC[C@@]3(CCN(c4nccnc4-c4nn[n-]n4)C3)C2)C=CCC1 ZINC001575537933 949507304 /nfs/dbraw/zinc/50/73/04/949507304.db2.gz BTCKINGXDXNKDU-RBUKOAKNSA-N -1 1 380.456 1.442 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CC(C)(C)O ZINC001576158995 949510978 /nfs/dbraw/zinc/51/09/78/949510978.db2.gz VOZTWNVAJSUEDL-KPZWWZAWSA-N -1 1 388.476 1.295 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CC(C)(C)O ZINC001576158995 949510984 /nfs/dbraw/zinc/51/09/84/949510984.db2.gz VOZTWNVAJSUEDL-KPZWWZAWSA-N -1 1 388.476 1.295 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1Cc2ccc(F)cc21)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574710914 949519035 /nfs/dbraw/zinc/51/90/35/949519035.db2.gz BUTXNCMNFQGQON-YGRLFVJLSA-N -1 1 382.403 1.395 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1Cc2ccc(F)cc21)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574710914 949519052 /nfs/dbraw/zinc/51/90/52/949519052.db2.gz BUTXNCMNFQGQON-YGRLFVJLSA-N -1 1 382.403 1.395 20 0 GDADMM CC1(C(=O)N2CC[C@H]3[C@@H](CCN3c3ccc(-c4nnn[n-]4)nn3)C2)CCCC1 ZINC001575539046 949536860 /nfs/dbraw/zinc/53/68/60/949536860.db2.gz LRUXGNDFPHWJTD-ZFWWWQNUSA-N -1 1 382.472 1.664 20 0 GDADMM CC1(C(=O)N2CC[C@H]3[C@@H](CCN3c3ccc(-c4nn[n-]n4)nn3)C2)CCCC1 ZINC001575539046 949536874 /nfs/dbraw/zinc/53/68/74/949536874.db2.gz LRUXGNDFPHWJTD-ZFWWWQNUSA-N -1 1 382.472 1.664 20 0 GDADMM CC1(C(=O)N2CCC[C@@H]([C@@H]3CCN(c4ccnc(-c5nn[n-]n5)n4)C3)C2)CC1 ZINC001575539052 949539504 /nfs/dbraw/zinc/53/95/04/949539504.db2.gz LWAFUUHEVAGSMD-ZIAGYGMSSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1CCc2cccnc21)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574711540 949542077 /nfs/dbraw/zinc/54/20/77/949542077.db2.gz IVFCJUZLNNBRCQ-AAEUAGOBSA-N -1 1 379.428 1.041 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1CCc2cccnc21)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574711540 949542093 /nfs/dbraw/zinc/54/20/93/949542093.db2.gz IVFCJUZLNNBRCQ-AAEUAGOBSA-N -1 1 379.428 1.041 20 0 GDADMM C[C@H](NC(=O)CC1(O)CCC1)[C@H](C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001575269220 949542488 /nfs/dbraw/zinc/54/24/88/949542488.db2.gz SLGUDPRRMYPNBZ-YUMQZZPRSA-N -1 1 385.881 1.587 20 0 GDADMM C[C@H](NC(=O)CC1(O)CCC1)[C@H](C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575269220 949542503 /nfs/dbraw/zinc/54/25/03/949542503.db2.gz SLGUDPRRMYPNBZ-YUMQZZPRSA-N -1 1 385.881 1.587 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1COc2ccccc21)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574711474 949543352 /nfs/dbraw/zinc/54/33/52/949543352.db2.gz HQTRKIQBYCBIIJ-AAEUAGOBSA-N -1 1 380.412 1.092 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1COc2ccccc21)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574711474 949543370 /nfs/dbraw/zinc/54/33/70/949543370.db2.gz HQTRKIQBYCBIIJ-AAEUAGOBSA-N -1 1 380.412 1.092 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)C[C@H](C)c1ccncc1 ZINC001574472212 949545229 /nfs/dbraw/zinc/54/52/29/949545229.db2.gz SASHKQSMLLMTTI-QWHCGFSZSA-N -1 1 381.444 1.504 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)C[C@H](C)c1ccncc1 ZINC001574472212 949545247 /nfs/dbraw/zinc/54/52/47/949545247.db2.gz SASHKQSMLLMTTI-QWHCGFSZSA-N -1 1 381.444 1.504 20 0 GDADMM O=C([O-])c1ccccc1C1CCN(C(=O)NCCN2CCCOCC2)CC1 ZINC001595250147 949549481 /nfs/dbraw/zinc/54/94/81/949549481.db2.gz BZBOTLKDUWQYOG-UHFFFAOYSA-N -1 1 375.469 1.996 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2(F)CCCC2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576164252 949549555 /nfs/dbraw/zinc/54/95/55/949549555.db2.gz FYQDXFOXNQIKDA-TZMCWYRMSA-N -1 1 388.451 1.978 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2(F)CCCC2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576164252 949549562 /nfs/dbraw/zinc/54/95/62/949549562.db2.gz FYQDXFOXNQIKDA-TZMCWYRMSA-N -1 1 388.451 1.978 20 0 GDADMM C[C@H](CC(=O)N(C)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001574475538 949574470 /nfs/dbraw/zinc/57/44/70/949574470.db2.gz BGEZBAZUWRQUEZ-NXEZZACHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@H](CC(=O)N(C)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574475538 949574481 /nfs/dbraw/zinc/57/44/81/949574481.db2.gz BGEZBAZUWRQUEZ-NXEZZACHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@H](CC(=O)N(C)CCN(C)c1nccnc1-c1nnn[n-]1)c1ccncc1 ZINC001574476015 949584846 /nfs/dbraw/zinc/58/48/46/949584846.db2.gz FCXNYRJCSSHLGK-CYBMUJFWSA-N -1 1 381.444 1.140 20 0 GDADMM C[C@H](CC(=O)N(C)CCN(C)c1nccnc1-c1nn[n-]n1)c1ccncc1 ZINC001574476015 949584863 /nfs/dbraw/zinc/58/48/63/949584863.db2.gz FCXNYRJCSSHLGK-CYBMUJFWSA-N -1 1 381.444 1.140 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1Cc2ccc(F)cc21)Nc1nccnc1-c1nnn[n-]1 ZINC001574712663 949585580 /nfs/dbraw/zinc/58/55/80/949585580.db2.gz SRYMNCDAJWOFMV-IINYFYTJSA-N -1 1 382.403 1.395 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1Cc2ccc(F)cc21)Nc1nccnc1-c1nn[n-]n1 ZINC001574712663 949585600 /nfs/dbraw/zinc/58/56/00/949585600.db2.gz SRYMNCDAJWOFMV-IINYFYTJSA-N -1 1 382.403 1.395 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1CCc2ccccc2C1)Nc1nccnc1-c1nnn[n-]1 ZINC001574712756 949590297 /nfs/dbraw/zinc/59/02/97/949590297.db2.gz UFIXRGNQXSDHKC-CZUORRHYSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1CCc2ccccc2C1)Nc1nccnc1-c1nn[n-]n1 ZINC001574712756 949590315 /nfs/dbraw/zinc/59/03/15/949590315.db2.gz UFIXRGNQXSDHKC-CZUORRHYSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2C(C)(C)C2(C)C)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575874425 949614990 /nfs/dbraw/zinc/61/49/90/949614990.db2.gz SMMWOCOGKUSQJR-NWDGAFQWSA-N -1 1 384.488 1.812 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2C(C)(C)C2(C)C)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575874425 949615008 /nfs/dbraw/zinc/61/50/08/949615008.db2.gz SMMWOCOGKUSQJR-NWDGAFQWSA-N -1 1 384.488 1.812 20 0 GDADMM C[C@H]1CCCN(C(=O)C2CC(F)(F)C2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576168083 949627079 /nfs/dbraw/zinc/62/70/79/949627079.db2.gz SRFXGPLDPQJXIH-JQWIXIFHSA-N -1 1 392.414 1.163 20 0 GDADMM CC(C)CC(C)(C)C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001574129111 949632473 /nfs/dbraw/zinc/63/24/73/949632473.db2.gz QHXJETXCSRBCLZ-OKILXGFUSA-N -1 1 384.488 1.624 20 0 GDADMM CC(C)CC(C)(C)C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001574129111 949632483 /nfs/dbraw/zinc/63/24/83/949632483.db2.gz QHXJETXCSRBCLZ-OKILXGFUSA-N -1 1 384.488 1.624 20 0 GDADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C(C1CC1)C1CC1 ZINC001573814282 949640252 /nfs/dbraw/zinc/64/02/52/949640252.db2.gz CRSPPLVMUUYYDQ-ZDUSSCGKSA-N -1 1 384.488 1.458 20 0 GDADMM C[C@@H](NC(=O)CCCc1ccccc1)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575272981 949653855 /nfs/dbraw/zinc/65/38/55/949653855.db2.gz TXXAUCFHZXAJDJ-ZIAGYGMSSA-N -1 1 380.456 1.985 20 0 GDADMM C[C@@H](NC(=O)CCCc1ccccc1)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575272981 949653861 /nfs/dbraw/zinc/65/38/61/949653861.db2.gz TXXAUCFHZXAJDJ-ZIAGYGMSSA-N -1 1 380.456 1.985 20 0 GDADMM CC1(C(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)CCCCCC1 ZINC001575548182 949661989 /nfs/dbraw/zinc/66/19/89/949661989.db2.gz TZCVBOYRRWNMND-CQSZACIVSA-N -1 1 384.488 1.842 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[nH]n2)cn1)NC(=O)c1ncccc1[O-] ZINC001573816147 949670940 /nfs/dbraw/zinc/67/09/40/949670940.db2.gz OWZXZENLNXHYBJ-ZDUSSCGKSA-N -1 1 382.428 1.619 20 0 GDADMM C[C@@H]1CCCC[C@H]1OCC(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576169499 949679828 /nfs/dbraw/zinc/67/98/28/949679828.db2.gz YJOAMOSIUANWCT-TZMCWYRMSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H]1CCCC[C@H]1OCC(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576169499 949679841 /nfs/dbraw/zinc/67/98/41/949679841.db2.gz YJOAMOSIUANWCT-TZMCWYRMSA-N -1 1 386.460 1.313 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H]1Cc2ccccc21 ZINC001573817114 949693488 /nfs/dbraw/zinc/69/34/88/949693488.db2.gz XFAIANSSRVQCKM-HOCLYGCPSA-N -1 1 392.467 1.939 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H]1Cc2ccccc21 ZINC001573817114 949693502 /nfs/dbraw/zinc/69/35/02/949693502.db2.gz XFAIANSSRVQCKM-HOCLYGCPSA-N -1 1 392.467 1.939 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccccc1 ZINC001574478419 949709800 /nfs/dbraw/zinc/70/98/00/949709800.db2.gz ZCFNYYYBUHQFNL-HOCLYGCPSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccccc1 ZINC001574478419 949709817 /nfs/dbraw/zinc/70/98/17/949709817.db2.gz ZCFNYYYBUHQFNL-HOCLYGCPSA-N -1 1 392.467 1.888 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C1C=CC=CC=C1 ZINC001573818032 949712847 /nfs/dbraw/zinc/71/28/47/949712847.db2.gz FERAMYMBZZNDOS-OAHLLOKOSA-N -1 1 380.456 1.898 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C1C=CC=CC=C1 ZINC001573818032 949712867 /nfs/dbraw/zinc/71/28/67/949712867.db2.gz FERAMYMBZZNDOS-OAHLLOKOSA-N -1 1 380.456 1.898 20 0 GDADMM C[C@H](CN(C)C(=O)CC[C@H]1CC(C)(C)CO1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574716906 949713918 /nfs/dbraw/zinc/71/39/18/949713918.db2.gz MPGLXWDFOFKCLW-OLZOCXBDSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CN(C)C(=O)CC[C@H]1CC(C)(C)CO1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574716906 949713934 /nfs/dbraw/zinc/71/39/34/949713934.db2.gz MPGLXWDFOFKCLW-OLZOCXBDSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H]1CCCN(C(=O)Cc2ccc[nH]2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576170271 949715327 /nfs/dbraw/zinc/71/53/27/949715327.db2.gz JTLKESGPCCACNQ-JSGCOSHPSA-N -1 1 381.444 1.267 20 0 GDADMM C[C@H]1CCCN(C(=O)Cc2ccc[nH]2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576170271 949715346 /nfs/dbraw/zinc/71/53/46/949715346.db2.gz JTLKESGPCCACNQ-JSGCOSHPSA-N -1 1 381.444 1.267 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574959406 949715997 /nfs/dbraw/zinc/71/59/97/949715997.db2.gz RJYMHLPACKCXIL-KWCYVHTRSA-N -1 1 379.428 1.020 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574959406 949716008 /nfs/dbraw/zinc/71/60/08/949716008.db2.gz RJYMHLPACKCXIL-KWCYVHTRSA-N -1 1 379.428 1.020 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CC[C@@H]1CCCO1 ZINC001573818251 949727716 /nfs/dbraw/zinc/72/77/16/949727716.db2.gz JBTRGWOBCMHAHE-GXTWGEPZSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CC[C@@H]1CCCO1 ZINC001573818251 949727733 /nfs/dbraw/zinc/72/77/33/949727733.db2.gz JBTRGWOBCMHAHE-GXTWGEPZSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@@H]1[C@H](NC(=O)Cc2ccsc2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575881925 949741275 /nfs/dbraw/zinc/74/12/75/949741275.db2.gz DCUVXFKGYYOWHY-DGCLKSJQSA-N -1 1 384.469 1.434 20 0 GDADMM C[C@@H]1[C@H](NC(=O)Cc2ccsc2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575881925 949741287 /nfs/dbraw/zinc/74/12/87/949741287.db2.gz DCUVXFKGYYOWHY-DGCLKSJQSA-N -1 1 384.469 1.434 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CCC1(F)F ZINC001573818680 949741742 /nfs/dbraw/zinc/74/17/42/949741742.db2.gz OACMYJHTFHFDLP-ONGXEEELSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCC1(F)F ZINC001573818680 949741754 /nfs/dbraw/zinc/74/17/54/949741754.db2.gz OACMYJHTFHFDLP-ONGXEEELSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574480133 949744620 /nfs/dbraw/zinc/74/46/20/949744620.db2.gz GYPUCJOQNQDCQK-QWHCGFSZSA-N -1 1 382.428 1.126 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574480438 949747541 /nfs/dbraw/zinc/74/75/41/949747541.db2.gz IJXTZFABPPTHMD-ZBFHGGJFSA-N -1 1 392.467 1.888 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001574136705 949749089 /nfs/dbraw/zinc/74/90/89/949749089.db2.gz PYOGJAZOMVAJTH-SOUVJXGZSA-N -1 1 384.488 1.624 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001574136705 949749106 /nfs/dbraw/zinc/74/91/06/949749106.db2.gz PYOGJAZOMVAJTH-SOUVJXGZSA-N -1 1 384.488 1.624 20 0 GDADMM C[C@H](CNC(=O)[C@H]1CC[C@H](C2CCC2)CC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574963766 949757953 /nfs/dbraw/zinc/75/79/53/949757953.db2.gz MTMCGSFNSQYWRK-BPLDGKMQSA-N -1 1 384.488 1.602 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1)c1ccccc1 ZINC001574480817 949759966 /nfs/dbraw/zinc/75/99/66/949759966.db2.gz JWFLMWCQAMHPLV-GOEBONIOSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1)c1ccccc1 ZINC001574480817 949759974 /nfs/dbraw/zinc/75/99/74/949759974.db2.gz JWFLMWCQAMHPLV-GOEBONIOSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H](C)NC(=O)CCOc1ccccc1 ZINC001575277897 949760752 /nfs/dbraw/zinc/76/07/52/949760752.db2.gz SFSPKEXFSWZQSH-OLZOCXBDSA-N -1 1 382.428 1.431 20 0 GDADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)CCOc1ccccc1 ZINC001575277897 949760762 /nfs/dbraw/zinc/76/07/62/949760762.db2.gz SFSPKEXFSWZQSH-OLZOCXBDSA-N -1 1 382.428 1.431 20 0 GDADMM CC1(C(=O)N2C[C@H]3CCN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]3C2)CCCC1 ZINC001575559969 949770793 /nfs/dbraw/zinc/77/07/93/949770793.db2.gz ZXDKTGWBYDUGNC-KGLIPLIRSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H](NC(=O)Cc1c(F)cccc1F)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575280829 949787668 /nfs/dbraw/zinc/78/76/68/949787668.db2.gz AHOGFIWLSLHPSS-VHSXEESVSA-N -1 1 388.382 1.483 20 0 GDADMM C[C@@H](NC(=O)Cc1c(F)cccc1F)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575280829 949787684 /nfs/dbraw/zinc/78/76/84/949787684.db2.gz AHOGFIWLSLHPSS-VHSXEESVSA-N -1 1 388.382 1.483 20 0 GDADMM C[C@@H]1CCCN(C(=O)CCCF)[C@@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576172100 949792032 /nfs/dbraw/zinc/79/20/32/949792032.db2.gz UYFIELCQPZNWJW-CHWSQXEVSA-N -1 1 376.440 1.257 20 0 GDADMM C[C@H]1CCCN(C(=O)CC2CCC2)[C@@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576172580 949812988 /nfs/dbraw/zinc/81/29/88/949812988.db2.gz XONSGISQNPZHPK-DZGCQCFKSA-N -1 1 384.488 1.698 20 0 GDADMM CC(C)C[C@H](C)CC(=O)NC[C@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCO1 ZINC001574139527 949818091 /nfs/dbraw/zinc/81/80/91/949818091.db2.gz KCSOBFMXZGJSOO-KBPBESRZSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@@H](CNC(=O)c1[nH]cnc1C(C)(C)C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574965829 949818376 /nfs/dbraw/zinc/81/83/76/949818376.db2.gz MXVITIKRQMXXGV-SNVBAGLBSA-N -1 1 384.448 1.155 20 0 GDADMM C[C@@H](CNC(=O)c1[nH]cnc1C(C)(C)C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574965829 949818404 /nfs/dbraw/zinc/81/84/04/949818404.db2.gz MXVITIKRQMXXGV-SNVBAGLBSA-N -1 1 384.448 1.155 20 0 GDADMM C[C@H](CN(C)C(=O)CCCc1ccccn1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574722149 949830538 /nfs/dbraw/zinc/83/05/38/949830538.db2.gz QDQDBFLOMITQJT-CYBMUJFWSA-N -1 1 381.444 1.333 20 0 GDADMM C[C@H](CN(C)C(=O)CCCc1ccccn1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574722149 949830559 /nfs/dbraw/zinc/83/05/59/949830559.db2.gz QDQDBFLOMITQJT-CYBMUJFWSA-N -1 1 381.444 1.333 20 0 GDADMM CC1(C(=O)N[C@@H]2CCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)CCOCC1 ZINC001575562955 949833555 /nfs/dbraw/zinc/83/35/55/949833555.db2.gz IVLINMYWIBWHEL-CHWSQXEVSA-N -1 1 386.460 1.170 20 0 GDADMM CC1(C(=O)N[C@@H]2CCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)CCOCC1 ZINC001575562955 949833580 /nfs/dbraw/zinc/83/35/80/949833580.db2.gz IVLINMYWIBWHEL-CHWSQXEVSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)c1ccco1 ZINC001574483881 949841187 /nfs/dbraw/zinc/84/11/87/949841187.db2.gz OGPVQVXYAVHMJA-HZSPNIEDSA-N -1 1 394.439 1.481 20 0 GDADMM C[C@H]1CCCN(C(=O)c2nccs2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576177697 949854439 /nfs/dbraw/zinc/85/44/39/949854439.db2.gz AOFHEAWLKKVYTP-JQWIXIFHSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H]1CCCN(C(=O)c2nccs2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576177697 949854461 /nfs/dbraw/zinc/85/44/61/949854461.db2.gz AOFHEAWLKKVYTP-JQWIXIFHSA-N -1 1 385.457 1.466 20 0 GDADMM CC(C)(C)C1CC(C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001573824625 949856879 /nfs/dbraw/zinc/85/68/79/949856879.db2.gz HOYOJHJXFYHNRA-RUXDESIVSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)C1CC(C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001573824625 949856898 /nfs/dbraw/zinc/85/68/98/949856898.db2.gz HOYOJHJXFYHNRA-RUXDESIVSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccn(C)c2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576177972 949869688 /nfs/dbraw/zinc/86/96/88/949869688.db2.gz AFTZKDNZNZLBAH-WFASDCNBSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccn(C)c2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576177972 949869697 /nfs/dbraw/zinc/86/96/97/949869697.db2.gz AFTZKDNZNZLBAH-WFASDCNBSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccco2)[C@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001576177944 949873347 /nfs/dbraw/zinc/87/33/47/949873347.db2.gz ABTSSLMCVDFZPD-JSGCOSHPSA-N -1 1 382.428 1.993 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccco2)[C@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001576177944 949873365 /nfs/dbraw/zinc/87/33/65/949873365.db2.gz ABTSSLMCVDFZPD-JSGCOSHPSA-N -1 1 382.428 1.993 20 0 GDADMM CC(C)(C)C12CC(C(=O)N3CC[C@@H](Nc4ccnc(-c5nn[n-]n5)n4)C3)(C1)C2 ZINC001573825318 949873921 /nfs/dbraw/zinc/87/39/21/949873921.db2.gz ROYIYPYCSTXVQA-PIHIASKNSA-N -1 1 382.472 1.308 20 0 GDADMM CC(C)(C)C12CC(C(=O)N3CC[C@H](Nc4ccnc(-c5nn[n-]n5)n4)C3)(C1)C2 ZINC001573825319 949874638 /nfs/dbraw/zinc/87/46/38/949874638.db2.gz ROYIYPYCSTXVQA-RMEHTXHKSA-N -1 1 382.472 1.308 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H]2[C@H]1CCN2c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001574484453 949874531 /nfs/dbraw/zinc/87/45/31/949874531.db2.gz HCPQQKAMSCRRNS-DAXOMENPSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H]2[C@H]1CCN2c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001574484453 949874550 /nfs/dbraw/zinc/87/45/50/949874550.db2.gz HCPQQKAMSCRRNS-DAXOMENPSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H](NC(=O)Cc1cc(C2CC2)no1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575283936 949887699 /nfs/dbraw/zinc/88/76/99/949887699.db2.gz RQFDGNWUDATQFQ-VHSXEESVSA-N -1 1 383.416 1.070 20 0 GDADMM C[C@@H](NC(=O)Cc1cc(C2CC2)no1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575283936 949887722 /nfs/dbraw/zinc/88/77/22/949887722.db2.gz RQFDGNWUDATQFQ-VHSXEESVSA-N -1 1 383.416 1.070 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001574484835 949904189 /nfs/dbraw/zinc/90/41/89/949904189.db2.gz PLMVRTDPQBEGEQ-UONOGXRCSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001574484835 949904200 /nfs/dbraw/zinc/90/42/00/949904200.db2.gz PLMVRTDPQBEGEQ-UONOGXRCSA-N -1 1 381.444 1.512 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574145570 949927141 /nfs/dbraw/zinc/92/71/41/949927141.db2.gz UMSRWKDSXSCQQA-IHRRRGAJSA-N -1 1 388.476 1.557 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574145570 949927160 /nfs/dbraw/zinc/92/71/60/949927160.db2.gz UMSRWKDSXSCQQA-IHRRRGAJSA-N -1 1 388.476 1.557 20 0 GDADMM C[C@H](CN(C)C(=O)CN(C)c1ccccc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574726259 949931552 /nfs/dbraw/zinc/93/15/52/949931552.db2.gz YGPQIFXSARBUGA-CYBMUJFWSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@H](CN(C)C(=O)CN(C)c1ccccc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574726259 949931567 /nfs/dbraw/zinc/93/15/67/949931567.db2.gz YGPQIFXSARBUGA-CYBMUJFWSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](NC(=O)COc1ccccc1F)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575285129 949937914 /nfs/dbraw/zinc/93/79/14/949937914.db2.gz ZAUCCWCKUNOFNP-WDEREUQCSA-N -1 1 386.391 1.180 20 0 GDADMM C[C@@H](NC(=O)COc1ccccc1F)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575285129 949937932 /nfs/dbraw/zinc/93/79/32/949937932.db2.gz ZAUCCWCKUNOFNP-WDEREUQCSA-N -1 1 386.391 1.180 20 0 GDADMM C[C@H]1CCN(C(=O)Cc2ccccc2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576180103 949938847 /nfs/dbraw/zinc/93/88/47/949938847.db2.gz CBOWZMOHXFHLEI-GOEBONIOSA-N -1 1 392.467 1.796 20 0 GDADMM C[C@H]1CCN(C(=O)Cc2ccccc2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576180103 949938867 /nfs/dbraw/zinc/93/88/67/949938867.db2.gz CBOWZMOHXFHLEI-GOEBONIOSA-N -1 1 392.467 1.796 20 0 GDADMM CC1(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)CC2(C)C)CC=CC1 ZINC001575570629 949945409 /nfs/dbraw/zinc/94/54/09/949945409.db2.gz UEUUZXHLGYQCKX-CQSZACIVSA-N -1 1 382.472 1.734 20 0 GDADMM CC1(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)CC2(C)C)CC=CC1 ZINC001575570629 949945429 /nfs/dbraw/zinc/94/54/29/949945429.db2.gz UEUUZXHLGYQCKX-CQSZACIVSA-N -1 1 382.472 1.734 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2ccc(Cl)[nH]2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575890824 949969667 /nfs/dbraw/zinc/96/96/67/949969667.db2.gz AARHGTNBDITHCN-UWVGGRQHSA-N -1 1 387.835 1.426 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2ccc(Cl)[nH]2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575890824 949969692 /nfs/dbraw/zinc/96/96/92/949969692.db2.gz AARHGTNBDITHCN-UWVGGRQHSA-N -1 1 387.835 1.426 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)n1cccc1 ZINC001574490206 949983936 /nfs/dbraw/zinc/98/39/36/949983936.db2.gz OOMRBKKXPYFDRS-IJEWVQPXSA-N -1 1 393.455 1.147 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)n1cccc1 ZINC001574490206 949983959 /nfs/dbraw/zinc/98/39/59/949983959.db2.gz OOMRBKKXPYFDRS-IJEWVQPXSA-N -1 1 393.455 1.147 20 0 GDADMM C[C@H](NC(=O)Cc1cccc(Cl)c1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575289608 950000459 /nfs/dbraw/zinc/00/04/59/950000459.db2.gz AJONXQZCPZXXJF-QWRGUYRKSA-N -1 1 386.847 1.858 20 0 GDADMM C[C@H](NC(=O)Cc1cccc(Cl)c1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575289608 950000484 /nfs/dbraw/zinc/00/04/84/950000484.db2.gz AJONXQZCPZXXJF-QWRGUYRKSA-N -1 1 386.847 1.858 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2ccc(F)cc2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575891595 950016997 /nfs/dbraw/zinc/01/69/97/950016997.db2.gz LSAGFBRXWJRWRO-FZMZJTMJSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2ccc(F)cc2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575891595 950017020 /nfs/dbraw/zinc/01/70/20/950017020.db2.gz LSAGFBRXWJRWRO-FZMZJTMJSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@H](CC(=O)N[C@]1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574491607 950039268 /nfs/dbraw/zinc/03/92/68/950039268.db2.gz DXEAYBHNBHGXCS-JLTOFOAXSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ccccc1Cl)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574731597 950061604 /nfs/dbraw/zinc/06/16/04/950061604.db2.gz XXVSPCSSGHELOW-LLVKDONJSA-N -1 1 386.847 1.812 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ccccc1Cl)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574731597 950061628 /nfs/dbraw/zinc/06/16/28/950061628.db2.gz XXVSPCSSGHELOW-LLVKDONJSA-N -1 1 386.847 1.812 20 0 GDADMM C[C@H](CC(=O)N[C@]12CCC[C@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2)C1CC1 ZINC001574492438 950084545 /nfs/dbraw/zinc/08/45/45/950084545.db2.gz MTUIIVXEWMCSMM-TVZGQMOCSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccn(C)c2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576183436 950092832 /nfs/dbraw/zinc/09/28/32/950092832.db2.gz RWDQFZRIYZWLRI-IUODEOHRSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccn(C)c2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576183436 950092854 /nfs/dbraw/zinc/09/28/54/950092854.db2.gz RWDQFZRIYZWLRI-IUODEOHRSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@@H]1CCN(C(=O)Cc2ccco2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576183615 950095302 /nfs/dbraw/zinc/09/53/02/950095302.db2.gz QRWMBCSNDVPRML-OLZOCXBDSA-N -1 1 382.428 1.389 20 0 GDADMM C[C@@H]1CCN(C(=O)Cc2ccco2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576183615 950095324 /nfs/dbraw/zinc/09/53/24/950095324.db2.gz QRWMBCSNDVPRML-OLZOCXBDSA-N -1 1 382.428 1.389 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccc[nH]2)[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576183750 950099288 /nfs/dbraw/zinc/09/92/88/950099288.db2.gz UJENTDXQTCNRHD-WFASDCNBSA-N -1 1 381.444 1.728 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccc[nH]2)[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576183750 950099306 /nfs/dbraw/zinc/09/93/06/950099306.db2.gz UJENTDXQTCNRHD-WFASDCNBSA-N -1 1 381.444 1.728 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@]1(C)c1ccccc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574733406 950108581 /nfs/dbraw/zinc/10/85/81/950108581.db2.gz AEXXOJYXYLHAOV-ZQGRQUNCSA-N -1 1 392.467 1.893 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@]1(C)c1ccccc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574733406 950108597 /nfs/dbraw/zinc/10/85/97/950108597.db2.gz AEXXOJYXYLHAOV-ZQGRQUNCSA-N -1 1 392.467 1.893 20 0 GDADMM C[C@H](CC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)c1ccco1 ZINC001574493241 950121940 /nfs/dbraw/zinc/12/19/40/950121940.db2.gz RGCBJJFEZNDPID-GFCCVEGCSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](CC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)c1ccco1 ZINC001574493241 950121949 /nfs/dbraw/zinc/12/19/49/950121949.db2.gz RGCBJJFEZNDPID-GFCCVEGCSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H]1CCN(C(=O)CC(C)(F)F)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576184894 950145353 /nfs/dbraw/zinc/14/53/53/950145353.db2.gz XTRPWJRBFGPNHB-GHMZBOCLSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H]1CCN(C(=O)CC(C)(F)F)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576184894 950145385 /nfs/dbraw/zinc/14/53/85/950145385.db2.gz XTRPWJRBFGPNHB-GHMZBOCLSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H]1CCN(C(=O)C2CC(C)(C)C2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576184931 950146154 /nfs/dbraw/zinc/14/61/54/950146154.db2.gz YKTDPTYGPPMYBS-JSGCOSHPSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H]1CCN(C(=O)C2CC(C)(C)C2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576184931 950146173 /nfs/dbraw/zinc/14/61/73/950146173.db2.gz YKTDPTYGPPMYBS-JSGCOSHPSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cccnc2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576185120 950155360 /nfs/dbraw/zinc/15/53/60/950155360.db2.gz ZJMGCPXRTOLWED-DOMZBBRYSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cccnc2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576185120 950155369 /nfs/dbraw/zinc/15/53/69/950155369.db2.gz ZJMGCPXRTOLWED-DOMZBBRYSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@H](CC(=O)N[C@@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001574494470 950166206 /nfs/dbraw/zinc/16/62/06/950166206.db2.gz ZIMFLWVICALBOU-XIKOKIGWSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](CC(=O)N[C@@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001574494470 950166218 /nfs/dbraw/zinc/16/62/18/950166218.db2.gz ZIMFLWVICALBOU-XIKOKIGWSA-N -1 1 382.428 1.529 20 0 GDADMM CC1(C(=O)NC[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CCCCCC1 ZINC001575586052 950213005 /nfs/dbraw/zinc/21/30/05/950213005.db2.gz GKRAOVXWLCMVIZ-CQSZACIVSA-N -1 1 384.488 1.960 20 0 GDADMM CC1(C(=O)NC[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CCCCCC1 ZINC001575586052 950213025 /nfs/dbraw/zinc/21/30/25/950213025.db2.gz GKRAOVXWLCMVIZ-CQSZACIVSA-N -1 1 384.488 1.960 20 0 GDADMM C[C@@H](CNC(=O)c1c[nH]cc1-c1ccccc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574983444 950219570 /nfs/dbraw/zinc/21/95/70/950219570.db2.gz NVGFAMPXROKCLP-LBPRGKRZSA-N -1 1 389.423 1.882 20 0 GDADMM C[C@@H](CNC(=O)c1c[nH]cc1-c1ccccc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574983444 950219585 /nfs/dbraw/zinc/21/95/85/950219585.db2.gz NVGFAMPXROKCLP-LBPRGKRZSA-N -1 1 389.423 1.882 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccns2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576191984 950221147 /nfs/dbraw/zinc/22/11/47/950221147.db2.gz JHHMDSHKZWIXBM-QWRGUYRKSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccns2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576191984 950221165 /nfs/dbraw/zinc/22/11/65/950221165.db2.gz JHHMDSHKZWIXBM-QWRGUYRKSA-N -1 1 385.457 1.324 20 0 GDADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)n1cccc1 ZINC001574156206 950234829 /nfs/dbraw/zinc/23/48/29/950234829.db2.gz YXTKWTDDYYGWPV-KBPBESRZSA-N -1 1 383.460 1.084 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccccc2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576192363 950242987 /nfs/dbraw/zinc/24/29/87/950242987.db2.gz NLXQYFFJFKGFLW-UKRRQHHQSA-N -1 1 378.440 1.867 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccccc2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576192363 950243001 /nfs/dbraw/zinc/24/30/01/950243001.db2.gz NLXQYFFJFKGFLW-UKRRQHHQSA-N -1 1 378.440 1.867 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573846609 950250752 /nfs/dbraw/zinc/25/07/52/950250752.db2.gz SYVJWPYAEBQBAK-HZSPNIEDSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573846609 950250772 /nfs/dbraw/zinc/25/07/72/950250772.db2.gz SYVJWPYAEBQBAK-HZSPNIEDSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)COC(C)(C)C ZINC001574158238 950271841 /nfs/dbraw/zinc/27/18/41/950271841.db2.gz PMMKWIVMYFGWAW-LBPRGKRZSA-N -1 1 376.465 1.415 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)COC(C)(C)C ZINC001574158238 950271856 /nfs/dbraw/zinc/27/18/56/950271856.db2.gz PMMKWIVMYFGWAW-LBPRGKRZSA-N -1 1 376.465 1.415 20 0 GDADMM C[C@H]1CCN(C(=O)c2cscn2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576193905 950315609 /nfs/dbraw/zinc/31/56/09/950315609.db2.gz VXCHGZIOJPQMGD-QWRGUYRKSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H]1CCN(C(=O)c2cscn2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576193905 950315624 /nfs/dbraw/zinc/31/56/24/950315624.db2.gz VXCHGZIOJPQMGD-QWRGUYRKSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H]1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576194035 950325403 /nfs/dbraw/zinc/32/54/03/950325403.db2.gz XUGPXEKICYNVGQ-VQJWOFKYSA-N -1 1 382.472 1.599 20 0 GDADMM C[C@H]1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576194035 950325424 /nfs/dbraw/zinc/32/54/24/950325424.db2.gz XUGPXEKICYNVGQ-VQJWOFKYSA-N -1 1 382.472 1.599 20 0 GDADMM CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C(=O)Nc2c[nH]nc2-c2nn[n-]n2)C1 ZINC001573854310 950339699 /nfs/dbraw/zinc/33/96/99/950339699.db2.gz ZZYGVWQWZGDWBW-MRVPVSSYSA-N -1 1 398.374 1.421 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CC[C@H]1CCCO1 ZINC001574160601 950342533 /nfs/dbraw/zinc/34/25/33/950342533.db2.gz OXYLAOJYXLKMIB-UONOGXRCSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CC[C@H]1CCCO1 ZINC001574160601 950342554 /nfs/dbraw/zinc/34/25/54/950342554.db2.gz OXYLAOJYXLKMIB-UONOGXRCSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cc1cncs1 ZINC001574160917 950345854 /nfs/dbraw/zinc/34/58/54/950345854.db2.gz QZFLPAXAWQHSQT-LLVKDONJSA-N -1 1 387.473 1.299 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cc1cncs1 ZINC001574160917 950345877 /nfs/dbraw/zinc/34/58/77/950345877.db2.gz QZFLPAXAWQHSQT-LLVKDONJSA-N -1 1 387.473 1.299 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1csc(=O)[nH]1 ZINC001574161566 950361308 /nfs/dbraw/zinc/36/13/08/950361308.db2.gz WFUBFNGOHQLFTD-VIFPVBQESA-N -1 1 389.445 1.075 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1csc(=O)[nH]1 ZINC001574161566 950361324 /nfs/dbraw/zinc/36/13/24/950361324.db2.gz WFUBFNGOHQLFTD-VIFPVBQESA-N -1 1 389.445 1.075 20 0 GDADMM C[C@@]1(C(=O)NC[C@H]2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CCCOC1 ZINC001575596067 950367557 /nfs/dbraw/zinc/36/75/57/950367557.db2.gz AEEHDXHMESUAJV-VEVIJQCQSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@]1(C(=O)NC[C@H]2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CCCOC1 ZINC001575596067 950367571 /nfs/dbraw/zinc/36/75/71/950367571.db2.gz AEEHDXHMESUAJV-VEVIJQCQSA-N -1 1 386.460 1.170 20 0 GDADMM CC1(C(=O)NC[C@H]2CN(c3snc(Cl)c3-c3nnn[n-]3)CCO2)CC1 ZINC001575596591 950384265 /nfs/dbraw/zinc/38/42/65/950384265.db2.gz TWENKSGUSSHBBQ-QMMMGPOBSA-N -1 1 383.865 1.098 20 0 GDADMM CC1(C(=O)NC[C@H]2CN(c3snc(Cl)c3-c3nn[n-]n3)CCO2)CC1 ZINC001575596591 950384286 /nfs/dbraw/zinc/38/42/86/950384286.db2.gz TWENKSGUSSHBBQ-QMMMGPOBSA-N -1 1 383.865 1.098 20 0 GDADMM CC1(C(=O)NCC[C@H](Cc2ccccc2)Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575596904 950385812 /nfs/dbraw/zinc/38/58/12/950385812.db2.gz WARGJYGUGKJCBJ-OAHLLOKOSA-N -1 1 392.467 1.986 20 0 GDADMM CC1(C(=O)NCC[C@H](Cc2ccccc2)Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575596904 950385833 /nfs/dbraw/zinc/38/58/33/950385833.db2.gz WARGJYGUGKJCBJ-OAHLLOKOSA-N -1 1 392.467 1.986 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1C[C@@H]1C(F)F ZINC001574162528 950386128 /nfs/dbraw/zinc/38/61/28/950386128.db2.gz CJVSMGPYFVAPEX-VWYCJHECSA-N -1 1 380.403 1.501 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1C[C@@H]1C(F)F ZINC001574162528 950386150 /nfs/dbraw/zinc/38/61/50/950386150.db2.gz CJVSMGPYFVAPEX-VWYCJHECSA-N -1 1 380.403 1.501 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3nc(-c4nnn[n-]4)cs3)[C@@H]2C1 ZINC001573856491 950386289 /nfs/dbraw/zinc/38/62/89/950386289.db2.gz AOQUOKJBQLMWTM-ZYHUDNBSSA-N -1 1 377.474 1.764 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3nc(-c4nn[n-]n4)cs3)[C@@H]2C1 ZINC001573856491 950386312 /nfs/dbraw/zinc/38/63/12/950386312.db2.gz AOQUOKJBQLMWTM-ZYHUDNBSSA-N -1 1 377.474 1.764 20 0 GDADMM CC(C)CC1(C(=O)N2CC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)CCC1 ZINC001574162699 950395477 /nfs/dbraw/zinc/39/54/77/950395477.db2.gz HCTCMTPBSJLXDM-AWEZNQCLSA-N -1 1 384.488 1.555 20 0 GDADMM CC(C)CC1(C(=O)N(C)C2CC(Nc3ccnc(-c4nn[n-]n4)n3)C2)CCC1 ZINC001574162960 950414958 /nfs/dbraw/zinc/41/49/58/950414958.db2.gz OBQYQTCTYUIGMY-UHFFFAOYSA-N -1 1 384.488 1.696 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1n[nH]cc1-c1nnn[n-]1)C(C)(C)C ZINC001573860365 950422898 /nfs/dbraw/zinc/42/28/98/950422898.db2.gz HQOOQDZICCDHMD-JTQLQIEISA-N -1 1 378.437 1.858 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1n[nH]cc1-c1nn[n-]n1)C(C)(C)C ZINC001573860365 950422909 /nfs/dbraw/zinc/42/29/09/950422909.db2.gz HQOOQDZICCDHMD-JTQLQIEISA-N -1 1 378.437 1.858 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[C@H](C)c1cccc(F)c1 ZINC001574506083 950426940 /nfs/dbraw/zinc/42/69/40/950426940.db2.gz BBUILQKFNIAVGT-RYUDHWBXSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[C@H](C)c1cccc(F)c1 ZINC001574506083 950426947 /nfs/dbraw/zinc/42/69/47/950426947.db2.gz BBUILQKFNIAVGT-RYUDHWBXSA-N -1 1 384.419 1.906 20 0 GDADMM CC(C)CC1(C(=O)N2CC[C@@H](N(C)c3cnc(-c4nnn[n-]4)cn3)C2)CCC1 ZINC001574163750 950433206 /nfs/dbraw/zinc/43/32/06/950433206.db2.gz XITKEQZIZKBLME-CQSZACIVSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CC1(C(=O)N2CC[C@@H](N(C)c3cnc(-c4nn[n-]n4)cn3)C2)CCC1 ZINC001574163750 950433218 /nfs/dbraw/zinc/43/32/18/950433218.db2.gz XITKEQZIZKBLME-CQSZACIVSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](CC(=O)NCCN(C)c1nccnc1-c1nnn[n-]1)c1cccc(F)c1 ZINC001574506603 950436368 /nfs/dbraw/zinc/43/63/68/950436368.db2.gz AIMRPQDOWICYRN-GFCCVEGCSA-N -1 1 384.419 1.542 20 0 GDADMM C[C@H](CC(=O)NCCN(C)c1nccnc1-c1nn[n-]n1)c1cccc(F)c1 ZINC001574506603 950436381 /nfs/dbraw/zinc/43/63/81/950436381.db2.gz AIMRPQDOWICYRN-GFCCVEGCSA-N -1 1 384.419 1.542 20 0 GDADMM C[C@@H](CC(=O)NCCN(C)c1nccnc1-c1nnn[n-]1)c1cccc(F)c1 ZINC001574506604 950436873 /nfs/dbraw/zinc/43/68/73/950436873.db2.gz AIMRPQDOWICYRN-LBPRGKRZSA-N -1 1 384.419 1.542 20 0 GDADMM C[C@@H](CC(=O)NCCN(C)c1nccnc1-c1nn[n-]n1)c1cccc(F)c1 ZINC001574506604 950436890 /nfs/dbraw/zinc/43/68/90/950436890.db2.gz AIMRPQDOWICYRN-LBPRGKRZSA-N -1 1 384.419 1.542 20 0 GDADMM CC(C)(C)OC(=O)NCC1(C(=O)NCc2nc(-c3nnn[n-]3)cs2)CC1 ZINC001573861304 950444096 /nfs/dbraw/zinc/44/40/96/950444096.db2.gz XSNULTBYCUDWRR-UHFFFAOYSA-N -1 1 379.446 1.244 20 0 GDADMM CC(C)(C)OC(=O)NCC1(C(=O)NCc2nc(-c3nn[n-]n3)cs2)CC1 ZINC001573861304 950444111 /nfs/dbraw/zinc/44/41/11/950444111.db2.gz XSNULTBYCUDWRR-UHFFFAOYSA-N -1 1 379.446 1.244 20 0 GDADMM CC(C)CC1(C(=O)NC2CC(CNc3ccnc(-c4nn[n-]n4)n3)C2)CCC1 ZINC001574165309 950445738 /nfs/dbraw/zinc/44/57/38/950445738.db2.gz CWIBIJBKKPNQLA-UHFFFAOYSA-N -1 1 384.488 1.602 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc2c(o1)CCCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574751172 950454168 /nfs/dbraw/zinc/45/41/68/950454168.db2.gz KRAYZTLEOWBMJR-LLVKDONJSA-N -1 1 382.428 1.701 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc2c(o1)CCCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574751172 950454179 /nfs/dbraw/zinc/45/41/79/950454179.db2.gz KRAYZTLEOWBMJR-LLVKDONJSA-N -1 1 382.428 1.701 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc(Cl)cs1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574751650 950461125 /nfs/dbraw/zinc/46/11/25/950461125.db2.gz PVBBQHIBRJIRDK-QMMMGPOBSA-N -1 1 378.849 1.366 20 0 GDADMM C[C@@H](CCNC(=O)C[C@H](C)c1ccccc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574508671 950480537 /nfs/dbraw/zinc/48/05/37/950480537.db2.gz LSQDVWSZEADMQX-KBPBESRZSA-N -1 1 380.456 1.579 20 0 GDADMM CC1(C(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CCC(F)(F)CC1 ZINC001575607113 950503317 /nfs/dbraw/zinc/50/33/17/950503317.db2.gz HTHHFIHTOOBWPS-PHIMTYICSA-N -1 1 392.414 1.353 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@H](C)c1ccc(F)cc1 ZINC001574509544 950514546 /nfs/dbraw/zinc/51/45/46/950514546.db2.gz WYRFUJFZIMHOLT-RYUDHWBXSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@H](C)c1ccc(F)cc1 ZINC001574509544 950514563 /nfs/dbraw/zinc/51/45/63/950514563.db2.gz WYRFUJFZIMHOLT-RYUDHWBXSA-N -1 1 384.419 1.906 20 0 GDADMM CC(C)CCC(=O)N1CCC2(C1)CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001574170085 950533245 /nfs/dbraw/zinc/53/32/45/950533245.db2.gz FQUNLZJKQQZISB-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)CCC(=O)N1CCC2(C1)CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001574170085 950533267 /nfs/dbraw/zinc/53/32/67/950533267.db2.gz FQUNLZJKQQZISB-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001574509871 950536661 /nfs/dbraw/zinc/53/66/61/950536661.db2.gz ZZDDYKZIDQZASI-MELADBBJSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001574509871 950536683 /nfs/dbraw/zinc/53/66/83/950536683.db2.gz ZZDDYKZIDQZASI-MELADBBJSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccco1 ZINC001574509858 950537063 /nfs/dbraw/zinc/53/70/63/950537063.db2.gz ZLRZZGKQEUSVIW-UPJWGTAASA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccco1 ZINC001574509858 950537079 /nfs/dbraw/zinc/53/70/79/950537079.db2.gz ZLRZZGKQEUSVIW-UPJWGTAASA-N -1 1 382.428 1.750 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C12CCC2 ZINC001573868536 950544045 /nfs/dbraw/zinc/54/40/45/950544045.db2.gz DHULWIWUCQXUOK-RYUDHWBXSA-N -1 1 386.460 1.311 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C12CCC2 ZINC001573868536 950544061 /nfs/dbraw/zinc/54/40/61/950544061.db2.gz DHULWIWUCQXUOK-RYUDHWBXSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc2cnccc2c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574753874 950550908 /nfs/dbraw/zinc/55/09/08/950550908.db2.gz UPTZPDCVDBSSNR-GFCCVEGCSA-N -1 1 389.423 1.778 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc2cnccc2c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574753874 950550926 /nfs/dbraw/zinc/55/09/26/950550926.db2.gz UPTZPDCVDBSSNR-GFCCVEGCSA-N -1 1 389.423 1.778 20 0 GDADMM C[C@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574997738 950553154 /nfs/dbraw/zinc/55/31/54/950553154.db2.gz XVHWDFXFZARHBL-JTQLQIEISA-N -1 1 384.448 1.155 20 0 GDADMM C[C@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574997738 950553172 /nfs/dbraw/zinc/55/31/72/950553172.db2.gz XVHWDFXFZARHBL-JTQLQIEISA-N -1 1 384.448 1.155 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)CC1(C)C ZINC001573869160 950555100 /nfs/dbraw/zinc/55/51/00/950555100.db2.gz LPORQRGQEJAQTM-LBPRGKRZSA-N -1 1 388.476 1.193 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)CC1(C)C ZINC001573869160 950555121 /nfs/dbraw/zinc/55/51/21/950555121.db2.gz LPORQRGQEJAQTM-LBPRGKRZSA-N -1 1 388.476 1.193 20 0 GDADMM CC(C)CCC(=O)N1CCC2(CCN(c3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001574171650 950563515 /nfs/dbraw/zinc/56/35/15/950563515.db2.gz RYSFHQUBLGJWHN-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)CCC(=O)N1CCC2(CCN(c3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001574171650 950563530 /nfs/dbraw/zinc/56/35/30/950563530.db2.gz RYSFHQUBLGJWHN-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCCC[C@H]1Nc1cncc(-c2nnn[n-]2)n1)n1ccnc1 ZINC001574511926 950580856 /nfs/dbraw/zinc/58/08/56/950580856.db2.gz WGCFYOPFWNRAGH-BFHYXJOUSA-N -1 1 396.459 1.344 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCCC[C@H]1Nc1cncc(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574511926 950580869 /nfs/dbraw/zinc/58/08/69/950580869.db2.gz WGCFYOPFWNRAGH-BFHYXJOUSA-N -1 1 396.459 1.344 20 0 GDADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)C1CCC(F)(F)CC1 ZINC001575918162 950587934 /nfs/dbraw/zinc/58/79/34/950587934.db2.gz AUHXRPVEKIMXIV-JQWIXIFHSA-N -1 1 392.414 1.305 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575616572 950589467 /nfs/dbraw/zinc/58/94/67/950589467.db2.gz RWFARSZJJDOCHP-LBPRGKRZSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575616572 950589479 /nfs/dbraw/zinc/58/94/79/950589479.db2.gz RWFARSZJJDOCHP-LBPRGKRZSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C(C(=O)N2CC[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]32)C1(C)C ZINC001575617339 950598481 /nfs/dbraw/zinc/59/84/81/950598481.db2.gz AVOHCZWWHZFKMS-NWDGAFQWSA-N -1 1 382.472 1.376 20 0 GDADMM CC1(C)C(C(=O)N2CC[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]32)C1(C)C ZINC001575617339 950598496 /nfs/dbraw/zinc/59/84/96/950598496.db2.gz AVOHCZWWHZFKMS-NWDGAFQWSA-N -1 1 382.472 1.376 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C[C@H](C)c1ccc(F)cc1 ZINC001574513234 950602089 /nfs/dbraw/zinc/60/20/89/950602089.db2.gz LCMFHTCDORLAMA-NWDGAFQWSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@H](C)c1ccc(F)cc1 ZINC001574513234 950602099 /nfs/dbraw/zinc/60/20/99/950602099.db2.gz LCMFHTCDORLAMA-NWDGAFQWSA-N -1 1 384.419 1.906 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C(C)(C)C ZINC001573870882 950603560 /nfs/dbraw/zinc/60/35/60/950603560.db2.gz ZBQWLADKSNESQC-LBPRGKRZSA-N -1 1 376.465 1.415 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C(C)(C)C ZINC001573870882 950603576 /nfs/dbraw/zinc/60/35/76/950603576.db2.gz ZBQWLADKSNESQC-LBPRGKRZSA-N -1 1 376.465 1.415 20 0 GDADMM CC1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC001576213600 950636156 /nfs/dbraw/zinc/63/61/56/950636156.db2.gz DHDBHFXALDANFN-ZDUSSCGKSA-N -1 1 384.444 1.840 20 0 GDADMM CC1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC001576213600 950636168 /nfs/dbraw/zinc/63/61/68/950636168.db2.gz DHDBHFXALDANFN-ZDUSSCGKSA-N -1 1 384.444 1.840 20 0 GDADMM C[C@H](CN(C)C(=O)c1cccnn1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574759546 950638244 /nfs/dbraw/zinc/63/82/44/950638244.db2.gz NUNQTYQTSZJYIS-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)c(F)c(F)c1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575002348 950660838 /nfs/dbraw/zinc/66/08/38/950660838.db2.gz STPNGEMGDTVABG-MRVPVSSYSA-N -1 1 392.345 1.552 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)c(F)c(F)c1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575002348 950660850 /nfs/dbraw/zinc/66/08/50/950660850.db2.gz STPNGEMGDTVABG-MRVPVSSYSA-N -1 1 392.345 1.552 20 0 GDADMM CC1(C)CC(C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575624139 950666343 /nfs/dbraw/zinc/66/63/43/950666343.db2.gz GZGHAMMPJZYPDP-CABCVRRESA-N -1 1 382.472 1.663 20 0 GDADMM CC1(C)CC(C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575624139 950666360 /nfs/dbraw/zinc/66/63/60/950666360.db2.gz GZGHAMMPJZYPDP-CABCVRRESA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1coc2ccccc12 ZINC001575924325 950671172 /nfs/dbraw/zinc/67/11/72/950671172.db2.gz SBTRODPOKPDXNS-FZMZJTMJSA-N -1 1 390.407 1.540 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cccnc1C1CC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574760613 950671602 /nfs/dbraw/zinc/67/16/02/950671602.db2.gz XKCPIIPZFKXXHI-NSHDSACASA-N -1 1 379.428 1.502 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cccnc1C1CC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574760613 950671614 /nfs/dbraw/zinc/67/16/14/950671614.db2.gz XKCPIIPZFKXXHI-NSHDSACASA-N -1 1 379.428 1.502 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@]12CCC[C@@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001573877829 950694479 /nfs/dbraw/zinc/69/44/79/950694479.db2.gz HQPYOWWNIGKWBO-XBEYBXDOSA-N -1 1 396.499 1.957 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@]12CCC[C@@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001573877829 950694496 /nfs/dbraw/zinc/69/44/96/950694496.db2.gz HQPYOWWNIGKWBO-XBEYBXDOSA-N -1 1 396.499 1.957 20 0 GDADMM CC1(C)CC(C(=O)N2CCC[C@@H]3[C@H]2CCN3c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575625858 950699244 /nfs/dbraw/zinc/69/92/44/950699244.db2.gz YTUFWIWXFVPCFX-HUUCEWRRSA-N -1 1 382.472 1.663 20 0 GDADMM CC1(C)CC(C(=O)N2CCC[C@@H]3[C@H]2CCN3c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575625858 950699256 /nfs/dbraw/zinc/69/92/56/950699256.db2.gz YTUFWIWXFVPCFX-HUUCEWRRSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C(F)F)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576215402 950700484 /nfs/dbraw/zinc/70/04/84/950700484.db2.gz BADGZUNGMRQZRF-VHSXEESVSA-N -1 1 380.403 1.454 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C(F)F)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576215402 950700504 /nfs/dbraw/zinc/70/05/04/950700504.db2.gz BADGZUNGMRQZRF-VHSXEESVSA-N -1 1 380.403 1.454 20 0 GDADMM CC1(C)[C@H](NC(=O)C2CCC2)[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)[C@@H]21 ZINC001575626269 950704250 /nfs/dbraw/zinc/70/42/50/950704250.db2.gz XTQJSWXGVHDRGQ-MAZHCROVSA-N -1 1 382.472 1.566 20 0 GDADMM CC1(C)[C@H](NC(=O)C2CCC2)[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)[C@@H]21 ZINC001575626269 950704260 /nfs/dbraw/zinc/70/42/60/950704260.db2.gz XTQJSWXGVHDRGQ-MAZHCROVSA-N -1 1 382.472 1.566 20 0 GDADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccccc1Cl ZINC001575926274 950705479 /nfs/dbraw/zinc/70/54/79/950705479.db2.gz XFBQPKZJVHUXTN-GWCFXTLKSA-N -1 1 384.831 1.447 20 0 GDADMM C[C@H](CNC(=O)c1cc2n(c1)CCCC2)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575006008 950710996 /nfs/dbraw/zinc/71/09/96/950710996.db2.gz PTOBNWSORQISTE-GFCCVEGCSA-N -1 1 381.444 1.049 20 0 GDADMM C[C@H](CNC(=O)c1cc2n(c1)CCCC2)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575006008 950711013 /nfs/dbraw/zinc/71/10/13/950711013.db2.gz PTOBNWSORQISTE-GFCCVEGCSA-N -1 1 381.444 1.049 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NCC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573878535 950715616 /nfs/dbraw/zinc/71/56/16/950715616.db2.gz SLMIFEHJHBWIEP-BFHYXJOUSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NCC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573878535 950715632 /nfs/dbraw/zinc/71/56/32/950715632.db2.gz SLMIFEHJHBWIEP-BFHYXJOUSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576216164 950725301 /nfs/dbraw/zinc/72/53/01/950725301.db2.gz CMDVBOUSUMOLLD-GHMZBOCLSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576216164 950725318 /nfs/dbraw/zinc/72/53/18/950725318.db2.gz CMDVBOUSUMOLLD-GHMZBOCLSA-N -1 1 392.414 1.599 20 0 GDADMM CC1(C)CC(C(=O)N[C@H]2CCCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575628871 950728221 /nfs/dbraw/zinc/72/82/21/950728221.db2.gz INOJPZIEDVALIZ-JSGCOSHPSA-N -1 1 384.488 1.602 20 0 GDADMM CC(C)(C)c1cc(C(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)[nH]n1 ZINC001573879698 950729466 /nfs/dbraw/zinc/72/94/66/950729466.db2.gz IUSCRVFBUOQMPS-SNVBAGLBSA-N -1 1 382.432 1.004 20 0 GDADMM CC(C)(C)c1cc(C(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)[nH]n1 ZINC001573879698 950729477 /nfs/dbraw/zinc/72/94/77/950729477.db2.gz IUSCRVFBUOQMPS-SNVBAGLBSA-N -1 1 382.432 1.004 20 0 GDADMM C[C@H](CNC(=O)c1cc2sccc2s1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575006974 950729491 /nfs/dbraw/zinc/72/94/91/950729491.db2.gz ZKXZQUFYZPTKRI-MRVPVSSYSA-N -1 1 386.466 1.585 20 0 GDADMM CC1(C)CC(C(=O)N[C@@H]2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C23CCC3)C1 ZINC001575629045 950730190 /nfs/dbraw/zinc/73/01/90/950730190.db2.gz JIXUTIWAGNJJPY-CHWSQXEVSA-N -1 1 382.472 1.932 20 0 GDADMM CC1(C)CC(C(=O)N[C@@H]2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C23CCC3)C1 ZINC001575629045 950730202 /nfs/dbraw/zinc/73/02/02/950730202.db2.gz JIXUTIWAGNJJPY-CHWSQXEVSA-N -1 1 382.472 1.932 20 0 GDADMM CC1(C)CC(C(=O)N[C@H]2C[C@H](Nc3nccnc3-c3nnn[n-]3)C23CCC3)C1 ZINC001575629048 950731265 /nfs/dbraw/zinc/73/12/65/950731265.db2.gz JIXUTIWAGNJJPY-STQMWFEESA-N -1 1 382.472 1.932 20 0 GDADMM CC1(C)CC(C(=O)N[C@H]2C[C@H](Nc3nccnc3-c3nn[n-]n3)C23CCC3)C1 ZINC001575629048 950731281 /nfs/dbraw/zinc/73/12/81/950731281.db2.gz JIXUTIWAGNJJPY-STQMWFEESA-N -1 1 382.472 1.932 20 0 GDADMM C[C@@H](CC(=O)N[C@]12CCC[C@H]1CN(c1ccnc(-c3nn[n-]n3)n1)C2)C1CC1 ZINC001574520578 950738998 /nfs/dbraw/zinc/73/89/98/950738998.db2.gz UXAWJORTUZWLST-PJFSTRORSA-N -1 1 382.472 1.568 20 0 GDADMM CC1(C)CC(C(=O)NC[C@H](CO)Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001575629720 950742622 /nfs/dbraw/zinc/74/26/22/950742622.db2.gz RFZIKDFGSHLLNA-MRVPVSSYSA-N -1 1 385.881 1.302 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576217067 950755025 /nfs/dbraw/zinc/75/50/25/950755025.db2.gz GSWDHVLJVFUDQR-NXEZZACHSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576217067 950755034 /nfs/dbraw/zinc/75/50/34/950755034.db2.gz GSWDHVLJVFUDQR-NXEZZACHSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@H](CN(C)C(=O)c1cnc(C2CC2)s1)Nc1nccnc1-c1nnn[n-]1 ZINC001574764712 950757734 /nfs/dbraw/zinc/75/77/34/950757734.db2.gz WZJMBTBEUWHAOF-SECBINFHSA-N -1 1 385.457 1.563 20 0 GDADMM C[C@H](CN(C)C(=O)c1cnc(C2CC2)s1)Nc1nccnc1-c1nn[n-]n1 ZINC001574764712 950757752 /nfs/dbraw/zinc/75/77/52/950757752.db2.gz WZJMBTBEUWHAOF-SECBINFHSA-N -1 1 385.457 1.563 20 0 GDADMM C[C@H](CN(C)C(=O)c1cnsn1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574765090 950775323 /nfs/dbraw/zinc/77/53/23/950775323.db2.gz DPASTWAKMLJLKR-RXMQYKEDSA-N -1 1 385.866 1.401 20 0 GDADMM C[C@H](CN(C)C(=O)c1cnsn1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574765090 950775337 /nfs/dbraw/zinc/77/53/37/950775337.db2.gz DPASTWAKMLJLKR-RXMQYKEDSA-N -1 1 385.866 1.401 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCc1cncs1 ZINC001575930635 950795920 /nfs/dbraw/zinc/79/59/20/950795920.db2.gz FNDVVQFXGJDKTH-ZYHUDNBSSA-N -1 1 385.457 1.147 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1cncs1 ZINC001575930635 950795935 /nfs/dbraw/zinc/79/59/35/950795935.db2.gz FNDVVQFXGJDKTH-ZYHUDNBSSA-N -1 1 385.457 1.147 20 0 GDADMM CC(C)CCCC(=O)N1CCCO[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001574187002 950823545 /nfs/dbraw/zinc/82/35/45/950823545.db2.gz LPDIKRQDMBWUSX-CQSZACIVSA-N -1 1 388.476 1.512 20 0 GDADMM CC(C)CCCC(=O)N1CCCO[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001574187002 950823567 /nfs/dbraw/zinc/82/35/67/950823567.db2.gz LPDIKRQDMBWUSX-CQSZACIVSA-N -1 1 388.476 1.512 20 0 GDADMM CC(C)CCCC(=O)N1CCC(O)(CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001574187035 950831001 /nfs/dbraw/zinc/83/10/01/950831001.db2.gz MWHQYKGYNGCRIA-UHFFFAOYSA-N -1 1 388.476 1.248 20 0 GDADMM CC(C)CCCC(=O)N1CCC(O)(CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001574187035 950831020 /nfs/dbraw/zinc/83/10/20/950831020.db2.gz MWHQYKGYNGCRIA-UHFFFAOYSA-N -1 1 388.476 1.248 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ncsc1C1CC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574767080 950833716 /nfs/dbraw/zinc/83/37/16/950833716.db2.gz LLVUEMHSWZANRN-VIFPVBQESA-N -1 1 385.457 1.563 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ncsc1C1CC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574767080 950833740 /nfs/dbraw/zinc/83/37/40/950833740.db2.gz LLVUEMHSWZANRN-VIFPVBQESA-N -1 1 385.457 1.563 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(N3CCCC3)nn2)n1 ZINC001573887629 950847986 /nfs/dbraw/zinc/84/79/86/950847986.db2.gz GKBOKVFCEVQEHC-UHFFFAOYSA-N -1 1 382.432 1.461 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(N3CCCC3)nn2)n1 ZINC001573887629 950848008 /nfs/dbraw/zinc/84/80/08/950848008.db2.gz GKBOKVFCEVQEHC-UHFFFAOYSA-N -1 1 382.432 1.461 20 0 GDADMM CC(C)(C)c1ocnc1C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573887639 950849375 /nfs/dbraw/zinc/84/93/75/950849375.db2.gz GUMSDCBOKFTVMW-UHFFFAOYSA-N -1 1 387.469 1.828 20 0 GDADMM C[C@H](CN(C)C(=O)c1ocnc1C(F)F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574767693 950863722 /nfs/dbraw/zinc/86/37/22/950863722.db2.gz PSLZNWJFUDKLFV-SSDOTTSWSA-N -1 1 379.331 1.155 20 0 GDADMM C[C@H](CN(C)C(=O)c1ocnc1C(F)F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574767693 950863737 /nfs/dbraw/zinc/86/37/37/950863737.db2.gz PSLZNWJFUDKLFV-SSDOTTSWSA-N -1 1 379.331 1.155 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1nc(Cl)cs1 ZINC001575934985 950866439 /nfs/dbraw/zinc/86/64/39/950866439.db2.gz UFTBCKIRHPEFHV-HTQZYQBOSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1nc(Cl)cs1 ZINC001575934985 950866463 /nfs/dbraw/zinc/86/64/63/950866463.db2.gz UFTBCKIRHPEFHV-HTQZYQBOSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C2CC2)CC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576222406 950871258 /nfs/dbraw/zinc/87/12/58/950871258.db2.gz YTMFOCJBQAVKPS-STQMWFEESA-N -1 1 384.488 1.411 20 0 GDADMM CC(C)CCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001574189839 950896848 /nfs/dbraw/zinc/89/68/48/950896848.db2.gz RZJFLWOKFFHEIU-KKUMJFAQSA-N -1 1 384.488 1.957 20 0 GDADMM CC(C)CCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001574189839 950896862 /nfs/dbraw/zinc/89/68/62/950896862.db2.gz RZJFLWOKFFHEIU-KKUMJFAQSA-N -1 1 384.488 1.957 20 0 GDADMM CCOC(=O)CC(C)(C)CC[N@H+]1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001590345393 950900413 /nfs/dbraw/zinc/90/04/13/950900413.db2.gz AVKMOSLKUMZVSP-YPMHNXCESA-N -1 1 396.406 1.952 20 0 GDADMM C[C@H]1CC(=O)Nc2ccc(C(=O)NCc3ccnc(-c4nnn[n-]4)c3)cc2N1 ZINC001575936928 950931955 /nfs/dbraw/zinc/93/19/55/950931955.db2.gz BATGOKYAFIKJDL-JTQLQIEISA-N -1 1 378.396 1.334 20 0 GDADMM C[C@H]1CC(=O)Nc2ccc(C(=O)NCc3ccnc(-c4nn[n-]n4)c3)cc2N1 ZINC001575936928 950931975 /nfs/dbraw/zinc/93/19/75/950931975.db2.gz BATGOKYAFIKJDL-JTQLQIEISA-N -1 1 378.396 1.334 20 0 GDADMM CC(C)CCCC(=O)NC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCCO1 ZINC001574192895 950937349 /nfs/dbraw/zinc/93/73/49/950937349.db2.gz OHHIMHRZMYZNFW-AWEZNQCLSA-N -1 1 388.476 1.195 20 0 GDADMM CC(C)CCCC(=O)NC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCCO1 ZINC001574192895 950937366 /nfs/dbraw/zinc/93/73/66/950937366.db2.gz OHHIMHRZMYZNFW-AWEZNQCLSA-N -1 1 388.476 1.195 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N(CCO)CCNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575643035 950956660 /nfs/dbraw/zinc/95/66/60/950956660.db2.gz XDJICJJYCGESBH-MRVPVSSYSA-N -1 1 385.881 1.256 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N1CCC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001575643075 950957462 /nfs/dbraw/zinc/95/74/62/950957462.db2.gz KCNFELQYKVNJRM-YJYMSZOUSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N1CCC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001575643075 950957478 /nfs/dbraw/zinc/95/74/78/950957478.db2.gz KCNFELQYKVNJRM-YJYMSZOUSA-N -1 1 382.472 1.522 20 0 GDADMM CC(C)(CC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)CC(F)F ZINC001573899514 950980672 /nfs/dbraw/zinc/98/06/72/950980672.db2.gz BKCCYYCIJAUDGD-JTQLQIEISA-N -1 1 380.403 1.423 20 0 GDADMM CC(C)(CC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)CC(F)F ZINC001573899514 950980692 /nfs/dbraw/zinc/98/06/92/950980692.db2.gz BKCCYYCIJAUDGD-JTQLQIEISA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)F)c(F)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575019035 951029332 /nfs/dbraw/zinc/02/93/32/951029332.db2.gz PVHXKSRMKZOLEJ-MRVPVSSYSA-N -1 1 392.345 1.964 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)F)c(F)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575019035 951029344 /nfs/dbraw/zinc/02/93/44/951029344.db2.gz PVHXKSRMKZOLEJ-MRVPVSSYSA-N -1 1 392.345 1.964 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)F)cc1F)Nc1nccnc1-c1nnn[n-]1 ZINC001575019849 951047811 /nfs/dbraw/zinc/04/78/11/951047811.db2.gz WKSVJSIKNCZQLV-QMMMGPOBSA-N -1 1 392.345 1.964 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)F)cc1F)Nc1nccnc1-c1nn[n-]n1 ZINC001575019849 951047821 /nfs/dbraw/zinc/04/78/21/951047821.db2.gz WKSVJSIKNCZQLV-QMMMGPOBSA-N -1 1 392.345 1.964 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)cc1F)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575021565 951063544 /nfs/dbraw/zinc/06/35/44/951063544.db2.gz DBZPOWSJGKBCME-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)c(Cl)c1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575024168 951091765 /nfs/dbraw/zinc/09/17/65/951091765.db2.gz WRFBEQOIPPQBGL-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)c(Cl)c1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575024168 951091771 /nfs/dbraw/zinc/09/17/71/951091771.db2.gz WRFBEQOIPPQBGL-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM CC(C)Oc1ccc(C(=O)NC[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)cn1 ZINC001575024466 951104583 /nfs/dbraw/zinc/10/45/83/951104583.db2.gz FEZNAYAUBSTQHI-NSHDSACASA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1ccc(C(=O)NC[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)cn1 ZINC001575024466 951104591 /nfs/dbraw/zinc/10/45/91/951104591.db2.gz FEZNAYAUBSTQHI-NSHDSACASA-N -1 1 383.416 1.069 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)cc1Cl)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575024425 951105132 /nfs/dbraw/zinc/10/51/32/951105132.db2.gz DMXQILIFYXCRJQ-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)cc1Cl)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575024425 951105142 /nfs/dbraw/zinc/10/51/42/951105142.db2.gz DMXQILIFYXCRJQ-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1cccc(C(F)F)c1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575026628 951146406 /nfs/dbraw/zinc/14/64/06/951146406.db2.gz LLUAAFXVXORZBY-SNVBAGLBSA-N -1 1 388.382 1.849 20 0 GDADMM C[C@H](CNC(=O)c1cccc(C(F)F)c1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575026628 951146421 /nfs/dbraw/zinc/14/64/21/951146421.db2.gz LLUAAFXVXORZBY-SNVBAGLBSA-N -1 1 388.382 1.849 20 0 GDADMM CC(C)(C)OC(=O)N1CCN(C(=O)CNCc2ccc(C(=O)[O-])cc2)CC1 ZINC000379933413 951177271 /nfs/dbraw/zinc/17/72/71/951177271.db2.gz BRBFSSINAQAKNE-UHFFFAOYSA-N -1 1 377.441 1.554 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2c1O[C@@H](C)C2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575029307 951184171 /nfs/dbraw/zinc/18/41/71/951184171.db2.gz SMWHTMHYGSRISF-QWRGUYRKSA-N -1 1 380.412 1.211 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2c1O[C@@H](C)C2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575029307 951184182 /nfs/dbraw/zinc/18/41/82/951184182.db2.gz SMWHTMHYGSRISF-QWRGUYRKSA-N -1 1 380.412 1.211 20 0 GDADMM C[C@H](CNC(=O)c1ccns1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575033879 951231385 /nfs/dbraw/zinc/23/13/85/951231385.db2.gz DFKGUEFFUBIBRT-ZCFIWIBFSA-N -1 1 384.878 1.911 20 0 GDADMM O=C([O-])CC[C@H]1CCCCN1C(=O)c1n[nH]cc1I ZINC001595011945 951250759 /nfs/dbraw/zinc/25/07/59/951250759.db2.gz BZXFFEKRWJSVKC-MRVPVSSYSA-N -1 1 377.182 1.874 20 0 GDADMM C[C@@H](CNC(=O)c1ccnc(C2CC2)c1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575036914 951300564 /nfs/dbraw/zinc/30/05/64/951300564.db2.gz YPPXDARUJBDCKE-NSHDSACASA-N -1 1 379.428 1.184 20 0 GDADMM C[C@@H](CNC(=O)c1ccnc(C2CC2)c1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575036914 951300572 /nfs/dbraw/zinc/30/05/72/951300572.db2.gz YPPXDARUJBDCKE-NSHDSACASA-N -1 1 379.428 1.184 20 0 GDADMM C[C@H](CNC(=O)c1cnc(C(C)(C)C)s1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575044056 951408923 /nfs/dbraw/zinc/40/89/23/951408923.db2.gz OOBYCOXXDZJRID-SECBINFHSA-N -1 1 387.473 1.641 20 0 GDADMM C[C@H](CNC(=O)c1cnc(C(C)(C)C)s1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575044056 951408927 /nfs/dbraw/zinc/40/89/27/951408927.db2.gz OOBYCOXXDZJRID-SECBINFHSA-N -1 1 387.473 1.641 20 0 GDADMM C[C@@H](CNC(=O)c1coc(C(F)F)c1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575056363 951517913 /nfs/dbraw/zinc/51/79/13/951517913.db2.gz IDFLJRNNRZURNS-MRVPVSSYSA-N -1 1 378.343 1.087 20 0 GDADMM C[C@H](CNC(=O)c1coc(C(F)F)c1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575056930 951524443 /nfs/dbraw/zinc/52/44/43/951524443.db2.gz MWPGVYJNBYZIAN-MRVPVSSYSA-N -1 1 378.343 1.442 20 0 GDADMM C[C@H](CNC(=O)c1coc(C(F)F)c1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575056930 951524446 /nfs/dbraw/zinc/52/44/46/951524446.db2.gz MWPGVYJNBYZIAN-MRVPVSSYSA-N -1 1 378.343 1.442 20 0 GDADMM C[C@@H](CNC(=O)c1coc(C(C)(C)C)n1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575057439 951528196 /nfs/dbraw/zinc/52/81/96/951528196.db2.gz PIBYYAIUMYPSEV-JTQLQIEISA-N -1 1 385.432 1.197 20 0 GDADMM C[C@@H](CNC(=O)c1coc(C(C)(C)C)n1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575057439 951528205 /nfs/dbraw/zinc/52/82/05/951528205.db2.gz PIBYYAIUMYPSEV-JTQLQIEISA-N -1 1 385.432 1.197 20 0 GDADMM CC(C)c1nc(C(=O)NC[C@@H](C)CNc2cnc(-c3nnn[n-]3)cn2)cs1 ZINC001575057789 951529733 /nfs/dbraw/zinc/52/97/33/951529733.db2.gz QKLKVLWULQSUMI-JTQLQIEISA-N -1 1 387.473 1.715 20 0 GDADMM CC(C)c1nc(C(=O)NC[C@@H](C)CNc2cnc(-c3nn[n-]n3)cn2)cs1 ZINC001575057789 951529739 /nfs/dbraw/zinc/52/97/39/951529739.db2.gz QKLKVLWULQSUMI-JTQLQIEISA-N -1 1 387.473 1.715 20 0 GDADMM C[C@H](CNC(=O)c1ncccn1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001575065319 951583553 /nfs/dbraw/zinc/58/35/53/951583553.db2.gz BHFIZKYFIOPPQP-SSDOTTSWSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@H](CNC(=O)c1ncccn1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001575065319 951583559 /nfs/dbraw/zinc/58/35/59/951583559.db2.gz BHFIZKYFIOPPQP-SSDOTTSWSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@@H](CNC(=O)c1nccs1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575065303 951584538 /nfs/dbraw/zinc/58/45/38/951584538.db2.gz BGRKMFVWKYUGSE-LURJTMIESA-N -1 1 384.878 1.688 20 0 GDADMM C[C@@H](CNC(=O)c1nccs1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575065303 951584546 /nfs/dbraw/zinc/58/45/46/951584546.db2.gz BGRKMFVWKYUGSE-LURJTMIESA-N -1 1 384.878 1.688 20 0 GDADMM C[C@@H](CNC(=O)c1scnc1Cl)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575068535 951634923 /nfs/dbraw/zinc/63/49/23/951634923.db2.gz AEEKTXCYAGHOBX-ZETCQYMHSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@@H](CNC(=O)c1scnc1C(C)(C)C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575068561 951635722 /nfs/dbraw/zinc/63/57/22/951635722.db2.gz AVFSCFAIRVYGJP-VIFPVBQESA-N -1 1 387.473 1.641 20 0 GDADMM C[C@@H](CNC(=O)c1scnc1C(C)(C)C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575068561 951635727 /nfs/dbraw/zinc/63/57/27/951635727.db2.gz AVFSCFAIRVYGJP-VIFPVBQESA-N -1 1 387.473 1.641 20 0 GDADMM C[C@@H](CNC(=O)c1sccc1C1CC1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575068576 951636202 /nfs/dbraw/zinc/63/62/02/951636202.db2.gz BGVUEYUHIQTFTA-JTQLQIEISA-N -1 1 384.469 1.850 20 0 GDADMM C[C@@H](CNC(=O)c1sccc1C1CC1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575068576 951636208 /nfs/dbraw/zinc/63/62/08/951636208.db2.gz BGVUEYUHIQTFTA-JTQLQIEISA-N -1 1 384.469 1.850 20 0 GDADMM CC(C)c1nnsc1C(=O)NC[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575069148 951642282 /nfs/dbraw/zinc/64/22/82/951642282.db2.gz GSDIIAXJQXOLSS-VIFPVBQESA-N -1 1 388.461 1.110 20 0 GDADMM CC(C)c1nnsc1C(=O)NC[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575069148 951642286 /nfs/dbraw/zinc/64/22/86/951642286.db2.gz GSDIIAXJQXOLSS-VIFPVBQESA-N -1 1 388.461 1.110 20 0 GDADMM O=C([O-])CNC(=O)CN1CCC([C@@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1 ZINC001595097488 951832963 /nfs/dbraw/zinc/83/29/63/951832963.db2.gz NBCQHXUGPUGTLQ-IRXDYDNUSA-N -1 1 389.452 1.214 20 0 GDADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)[C@H]1CCCOCC1)C1CC1 ZINC001575128163 952064293 /nfs/dbraw/zinc/06/42/93/952064293.db2.gz FZAWVLHPYNTLOQ-KPZWWZAWSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)[C@H]1CCCOCC1)C1CC1 ZINC001575128163 952064303 /nfs/dbraw/zinc/06/43/03/952064303.db2.gz FZAWVLHPYNTLOQ-KPZWWZAWSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)c1cc(Cl)no1)C1CC1 ZINC001575129196 952077081 /nfs/dbraw/zinc/07/70/81/952077081.db2.gz QVQMQDQDRKPNSS-HNNXBMFYSA-N -1 1 389.807 1.309 20 0 GDADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)c1cc(Cl)no1)C1CC1 ZINC001575129196 952077095 /nfs/dbraw/zinc/07/70/95/952077095.db2.gz QVQMQDQDRKPNSS-HNNXBMFYSA-N -1 1 389.807 1.309 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ccc2c(c1)CCC2 ZINC001575132189 952090631 /nfs/dbraw/zinc/09/06/31/952090631.db2.gz DHINNKCRRUQRPK-LBPRGKRZSA-N -1 1 378.440 1.718 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ccc2c(c1)CCC2 ZINC001575132189 952090634 /nfs/dbraw/zinc/09/06/34/952090634.db2.gz DHINNKCRRUQRPK-LBPRGKRZSA-N -1 1 378.440 1.718 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)CC1(C(F)(F)F)CC1 ZINC001575132291 952092410 /nfs/dbraw/zinc/09/24/10/952092410.db2.gz FCQVNFYSVZIEFO-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)CC1(C(F)(F)F)CC1 ZINC001575132291 952092418 /nfs/dbraw/zinc/09/24/18/952092418.db2.gz FCQVNFYSVZIEFO-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)C1CCC(F)CC1)C1CC1 ZINC001575133180 952102498 /nfs/dbraw/zinc/10/24/98/952102498.db2.gz BWBLRENEOSNADI-LPSAFJIBSA-N -1 1 388.451 1.304 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)Cc1ccc(F)c(F)c1 ZINC001575133528 952104225 /nfs/dbraw/zinc/10/42/25/952104225.db2.gz KPSDCKYPELRQLX-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)Cc1ccc(F)c(F)c1 ZINC001575133528 952104230 /nfs/dbraw/zinc/10/42/30/952104230.db2.gz KPSDCKYPELRQLX-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)Cc1ccc2c(c1)CCC2 ZINC001575134073 952107741 /nfs/dbraw/zinc/10/77/41/952107741.db2.gz LXJYZTRMWYPBEF-ZDUSSCGKSA-N -1 1 392.467 1.647 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)Cc1ccc2c(c1)CCC2 ZINC001575134073 952107746 /nfs/dbraw/zinc/10/77/46/952107746.db2.gz LXJYZTRMWYPBEF-ZDUSSCGKSA-N -1 1 392.467 1.647 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)CC[C@@H]1CC(C)(C)CO1 ZINC001575134778 952113472 /nfs/dbraw/zinc/11/34/72/952113472.db2.gz PCLNOBLXAKKIJK-QWHCGFSZSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)CC[C@@H]1CC(C)(C)CO1 ZINC001575134778 952113479 /nfs/dbraw/zinc/11/34/79/952113479.db2.gz PCLNOBLXAKKIJK-QWHCGFSZSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)c1ccc(Cl)o1)C1CC1 ZINC001575142825 952149988 /nfs/dbraw/zinc/14/99/88/952149988.db2.gz MLWTWWKCMWUVKE-INIZCTEOSA-N -1 1 388.819 1.336 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1csc(Cl)c1 ZINC001575144811 952172737 /nfs/dbraw/zinc/17/27/37/952172737.db2.gz MBITYQZHDWTTNZ-MRVPVSSYSA-N -1 1 378.849 1.366 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc2ccn(C)c2c1 ZINC001575145039 952177558 /nfs/dbraw/zinc/17/75/58/952177558.db2.gz OOLGVOVQGGQGNA-GFCCVEGCSA-N -1 1 391.439 1.143 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1coc(C(F)F)c1 ZINC001575145506 952185611 /nfs/dbraw/zinc/18/56/11/952185611.db2.gz YVAPINWOWOELDT-QMMMGPOBSA-N -1 1 378.343 1.182 20 0 GDADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)[C@@H]1Cc2ccccc21)C1CC1 ZINC001575145597 952187817 /nfs/dbraw/zinc/18/78/17/952187817.db2.gz ATENEHOOWDMUCO-QRWLVFNGSA-N -1 1 390.451 1.693 20 0 GDADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)[C@@H]1Cc2ccccc21)C1CC1 ZINC001575145597 952187820 /nfs/dbraw/zinc/18/78/20/952187820.db2.gz ATENEHOOWDMUCO-QRWLVFNGSA-N -1 1 390.451 1.693 20 0 GDADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)CC1CCOCC1)C1CC1 ZINC001575147766 952201077 /nfs/dbraw/zinc/20/10/77/952201077.db2.gz VZDURIJCHVWYHK-SFHVURJKSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)CC1CCOCC1)C1CC1 ZINC001575147766 952201079 /nfs/dbraw/zinc/20/10/79/952201079.db2.gz VZDURIJCHVWYHK-SFHVURJKSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)c1ccc(Cl)[nH]1)C1CC1 ZINC001575154510 952226341 /nfs/dbraw/zinc/22/63/41/952226341.db2.gz FFUNIGURSSQZTI-MRXNPFEDSA-N -1 1 387.835 1.649 20 0 GDADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)c1ccc(Cl)[nH]1)C1CC1 ZINC001575154510 952226348 /nfs/dbraw/zinc/22/63/48/952226348.db2.gz FFUNIGURSSQZTI-MRXNPFEDSA-N -1 1 387.835 1.649 20 0 GDADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)Cc1cccs1)C1CC1 ZINC001575154647 952226832 /nfs/dbraw/zinc/22/68/32/952226832.db2.gz GVJDKBTYUHNJGK-KRWDZBQOSA-N -1 1 384.469 1.658 20 0 GDADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)Cc1cccs1)C1CC1 ZINC001575154647 952226843 /nfs/dbraw/zinc/22/68/43/952226843.db2.gz GVJDKBTYUHNJGK-KRWDZBQOSA-N -1 1 384.469 1.658 20 0 GDADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)c1cc(Cl)no1)C1CC1 ZINC001575154972 952232612 /nfs/dbraw/zinc/23/26/12/952232612.db2.gz IZDBZKKQTHUOGC-OAHLLOKOSA-N -1 1 389.807 1.309 20 0 GDADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)c1cc(Cl)no1)C1CC1 ZINC001575154972 952232615 /nfs/dbraw/zinc/23/26/15/952232615.db2.gz IZDBZKKQTHUOGC-OAHLLOKOSA-N -1 1 389.807 1.309 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H]1Cc2ccc(F)cc21 ZINC001575155477 952240321 /nfs/dbraw/zinc/24/03/21/952240321.db2.gz ZHTDPTKDUWYMRT-HZMBPMFUSA-N -1 1 382.403 1.395 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H]1Cc2ccc(F)cc21 ZINC001575155477 952240328 /nfs/dbraw/zinc/24/03/28/952240328.db2.gz ZHTDPTKDUWYMRT-HZMBPMFUSA-N -1 1 382.403 1.395 20 0 GDADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)C[C@@H]1CCCOC1)C1CC1 ZINC001575155795 952243347 /nfs/dbraw/zinc/24/33/47/952243347.db2.gz PFRRQTHSJZYHNO-KPZWWZAWSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)C[C@@H]1CCCOC1)C1CC1 ZINC001575155795 952243351 /nfs/dbraw/zinc/24/33/51/952243351.db2.gz PFRRQTHSJZYHNO-KPZWWZAWSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cc2n(c1)CCCC2 ZINC001575156050 952247555 /nfs/dbraw/zinc/24/75/55/952247555.db2.gz BTSHAEMXXWWNHG-LBPRGKRZSA-N -1 1 381.444 1.367 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc2n(c1)CCCC2 ZINC001575156050 952247559 /nfs/dbraw/zinc/24/75/59/952247559.db2.gz BTSHAEMXXWWNHG-LBPRGKRZSA-N -1 1 381.444 1.367 20 0 GDADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)c1cncc(F)c1)C1CC1 ZINC001575156218 952251001 /nfs/dbraw/zinc/25/10/01/952251001.db2.gz QWGMYIJNDFOEAL-QGZVFWFLSA-N -1 1 383.391 1.201 20 0 GDADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)c1cncc(F)c1)C1CC1 ZINC001575156218 952251006 /nfs/dbraw/zinc/25/10/06/952251006.db2.gz QWGMYIJNDFOEAL-QGZVFWFLSA-N -1 1 383.391 1.201 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CC(C)(C)CC(F)F ZINC001575158367 952272232 /nfs/dbraw/zinc/27/22/32/952272232.db2.gz TVXBHSRQULRGCM-JTQLQIEISA-N -1 1 382.419 1.987 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CC(C)(C)CC(F)F ZINC001575158367 952272234 /nfs/dbraw/zinc/27/22/34/952272234.db2.gz TVXBHSRQULRGCM-JTQLQIEISA-N -1 1 382.419 1.987 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001575158930 952275419 /nfs/dbraw/zinc/27/54/19/952275419.db2.gz XKCODIFJVRZBCH-YUELXQCFSA-N -1 1 378.440 1.719 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001575158930 952275425 /nfs/dbraw/zinc/27/54/25/952275425.db2.gz XKCODIFJVRZBCH-YUELXQCFSA-N -1 1 378.440 1.719 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)[C@H]1CCCCO1 ZINC001575164640 952295145 /nfs/dbraw/zinc/29/51/45/952295145.db2.gz GOHHSOOBZOLCHY-RKDXNWHRSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)[C@H]1CCCCO1 ZINC001575164640 952295150 /nfs/dbraw/zinc/29/51/50/952295150.db2.gz GOHHSOOBZOLCHY-RKDXNWHRSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)c1cncnc1 ZINC001575165118 952304642 /nfs/dbraw/zinc/30/46/42/952304642.db2.gz LKBMDYXUAKBWTO-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)c1cccc(F)c1)C1CC1 ZINC001575174713 952379176 /nfs/dbraw/zinc/37/91/76/952379176.db2.gz RFOZRBFXRIRMIB-SFHVURJKSA-N -1 1 382.403 1.806 20 0 GDADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)c1cccc(F)c1)C1CC1 ZINC001575174713 952379183 /nfs/dbraw/zinc/37/91/83/952379183.db2.gz RFOZRBFXRIRMIB-SFHVURJKSA-N -1 1 382.403 1.806 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@]1(C)CCc2ccccc21 ZINC001575174764 952379966 /nfs/dbraw/zinc/37/99/66/952379966.db2.gz SKTHMHGWBHUYEZ-RBZFPXEDSA-N -1 1 392.467 1.820 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@]1(C)CCc2ccccc21 ZINC001575174764 952379970 /nfs/dbraw/zinc/37/99/70/952379970.db2.gz SKTHMHGWBHUYEZ-RBZFPXEDSA-N -1 1 392.467 1.820 20 0 GDADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)C1CCC(F)CC1)C1CC1 ZINC001575174924 952381854 /nfs/dbraw/zinc/38/18/54/952381854.db2.gz UKUWSUUHFYYFRK-LPSAFJIBSA-N -1 1 388.451 1.882 20 0 GDADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)C1CCC(F)CC1)C1CC1 ZINC001575174924 952381858 /nfs/dbraw/zinc/38/18/58/952381858.db2.gz UKUWSUUHFYYFRK-LPSAFJIBSA-N -1 1 388.451 1.882 20 0 GDADMM C[C@@](CO)(Cc1ccccc1F)NC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001575179555 952412852 /nfs/dbraw/zinc/41/28/52/952412852.db2.gz VYORSSPGLUKQFR-KRWDZBQOSA-N -1 1 390.444 1.860 20 0 GDADMM C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001575185216 952430461 /nfs/dbraw/zinc/43/04/61/952430461.db2.gz NBEPWJYLZFRRLN-SNVBAGLBSA-N -1 1 390.400 1.449 20 0 GDADMM C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001575185216 952430462 /nfs/dbraw/zinc/43/04/62/952430462.db2.gz NBEPWJYLZFRRLN-SNVBAGLBSA-N -1 1 390.400 1.449 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC001575188890 952451275 /nfs/dbraw/zinc/45/12/75/952451275.db2.gz KSYBYUBEHRJLCZ-RYUDHWBXSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC001575188890 952451277 /nfs/dbraw/zinc/45/12/77/952451277.db2.gz KSYBYUBEHRJLCZ-RYUDHWBXSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H](C)Cc1ccccc1F ZINC001575188981 952453121 /nfs/dbraw/zinc/45/31/21/952453121.db2.gz LRTZEPOYDNVAEE-RYUDHWBXSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)Cc1ccccc1F ZINC001575188981 952453126 /nfs/dbraw/zinc/45/31/26/952453126.db2.gz LRTZEPOYDNVAEE-RYUDHWBXSA-N -1 1 384.419 1.591 20 0 GDADMM CC(C)(C)OC(=O)NC1CCN(CCNC(=O)[C@H](C(=O)[O-])C2CCCC2)CC1 ZINC001602903707 971835260 /nfs/dbraw/zinc/83/52/60/971835260.db2.gz QXPMSTMEFHTOKZ-MRXNPFEDSA-N -1 1 397.516 1.983 20 0 GDADMM CC(C)[C@@H](CNC(=O)[C@H](C)Cc1ccco1)Nc1nccnc1-c1nnn[n-]1 ZINC001575195512 952471618 /nfs/dbraw/zinc/47/16/18/952471618.db2.gz BLPBSFPYIFIGFK-TZMCWYRMSA-N -1 1 384.444 1.681 20 0 GDADMM CC(C)[C@@H](CNC(=O)[C@H](C)Cc1ccco1)Nc1nccnc1-c1nn[n-]n1 ZINC001575195512 952471624 /nfs/dbraw/zinc/47/16/24/952471624.db2.gz BLPBSFPYIFIGFK-TZMCWYRMSA-N -1 1 384.444 1.681 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575197017 952477957 /nfs/dbraw/zinc/47/79/57/952477957.db2.gz LYZLRSPQTQJTFP-KPZWWZAWSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575197017 952477961 /nfs/dbraw/zinc/47/79/61/952477961.db2.gz LYZLRSPQTQJTFP-KPZWWZAWSA-N -1 1 382.428 1.214 20 0 GDADMM CC(C)[C@@H](CNC(=O)[C@@H](C)Cc1ccco1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575197379 952483202 /nfs/dbraw/zinc/48/32/02/952483202.db2.gz VFTNOIHVCQOAHL-GXTWGEPZSA-N -1 1 384.444 1.681 20 0 GDADMM CC(C)[C@@H](CNC(=O)[C@@H](C)Cc1ccco1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575197379 952483207 /nfs/dbraw/zinc/48/32/07/952483207.db2.gz VFTNOIHVCQOAHL-GXTWGEPZSA-N -1 1 384.444 1.681 20 0 GDADMM Cc1cccc(CC(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1Br ZINC001571119421 952490504 /nfs/dbraw/zinc/49/05/04/952490504.db2.gz AOKVAIDALAHDBK-UHFFFAOYSA-N -1 1 376.218 1.852 20 0 GDADMM Cc1cccc(CC(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1Br ZINC001571119421 952490506 /nfs/dbraw/zinc/49/05/06/952490506.db2.gz AOKVAIDALAHDBK-UHFFFAOYSA-N -1 1 376.218 1.852 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)c1 ZINC001571119427 952490777 /nfs/dbraw/zinc/49/07/77/952490777.db2.gz BIXPLIFQWGUCKH-GOEBONIOSA-N -1 1 376.424 1.316 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)c1 ZINC001571119427 952490785 /nfs/dbraw/zinc/49/07/85/952490785.db2.gz BIXPLIFQWGUCKH-GOEBONIOSA-N -1 1 376.424 1.316 20 0 GDADMM O=C(c1ccc(C(F)F)o1)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571119377 952491091 /nfs/dbraw/zinc/49/10/91/952491091.db2.gz AHKHQGZUUXSIRO-UHFFFAOYSA-N -1 1 376.327 1.150 20 0 GDADMM O=C(c1ccc(C(F)F)o1)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571119377 952491096 /nfs/dbraw/zinc/49/10/96/952491096.db2.gz AHKHQGZUUXSIRO-UHFFFAOYSA-N -1 1 376.327 1.150 20 0 GDADMM O=C([C@H]1CC1(F)F)N1CC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571121025 952513705 /nfs/dbraw/zinc/51/37/05/952513705.db2.gz VGAYHPOYQYMHSX-NTSWFWBYSA-N -1 1 375.792 1.645 20 0 GDADMM O=C([C@H]1CC1(F)F)N1CC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571121025 952513713 /nfs/dbraw/zinc/51/37/13/952513713.db2.gz VGAYHPOYQYMHSX-NTSWFWBYSA-N -1 1 375.792 1.645 20 0 GDADMM CC[C@@H](SC)C(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571121730 952522467 /nfs/dbraw/zinc/52/24/67/952522467.db2.gz CIOPGRPIBDPMMA-NWDGAFQWSA-N -1 1 376.490 1.013 20 0 GDADMM CC(C)[C@@H](F)C(=O)N1CCC(CCNc2nccnc2-c2nnn[n-]2)CC1 ZINC001571122747 952526596 /nfs/dbraw/zinc/52/65/96/952526596.db2.gz JUUPCGRMTLHNRY-CYBMUJFWSA-N -1 1 376.440 1.691 20 0 GDADMM CC(C)[C@@H](F)C(=O)N1CCC(CCNc2nccnc2-c2nn[n-]n2)CC1 ZINC001571122747 952526601 /nfs/dbraw/zinc/52/66/01/952526601.db2.gz JUUPCGRMTLHNRY-CYBMUJFWSA-N -1 1 376.440 1.691 20 0 GDADMM CO[C@@H](C)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571123106 952527889 /nfs/dbraw/zinc/52/78/89/952527889.db2.gz OXDGAMBPDCTLKT-WFASDCNBSA-N -1 1 376.436 1.464 20 0 GDADMM C[C@H](Cn1c(=O)c(-c2nn[n-]n2)cn(CC(=O)OC(C)(C)C)c1=O)C(C)(C)C ZINC001575208007 952536871 /nfs/dbraw/zinc/53/68/71/952536871.db2.gz YRBDDTRNSBHTKV-LLVKDONJSA-N -1 1 392.460 1.214 20 0 GDADMM Cc1nsc(NC[C@@H]2CCN(C(=O)C[C@H]3CCCO3)C2)c1-c1nn[n-]n1 ZINC001571127812 952561290 /nfs/dbraw/zinc/56/12/90/952561290.db2.gz KGHIEMKDTUSMCX-NWDGAFQWSA-N -1 1 377.474 1.461 20 0 GDADMM CCCNC(=O)C1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001571128077 952563710 /nfs/dbraw/zinc/56/37/10/952563710.db2.gz OROLPCNVWAGOCH-UHFFFAOYSA-N -1 1 377.474 1.376 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575214473 952565326 /nfs/dbraw/zinc/56/53/26/952565326.db2.gz LERBMVKIQVNSGS-JTQLQIEISA-N -1 1 380.403 1.599 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575214473 952565328 /nfs/dbraw/zinc/56/53/28/952565328.db2.gz LERBMVKIQVNSGS-JTQLQIEISA-N -1 1 380.403 1.599 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001575215003 952567832 /nfs/dbraw/zinc/56/78/32/952567832.db2.gz RMTFKXHGKGUPGV-JTQLQIEISA-N -1 1 380.403 1.067 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575215896 952570072 /nfs/dbraw/zinc/57/00/72/952570072.db2.gz YNMKDMVGDNXPOL-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575215896 952570079 /nfs/dbraw/zinc/57/00/79/952570079.db2.gz YNMKDMVGDNXPOL-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575215866 952570922 /nfs/dbraw/zinc/57/09/22/952570922.db2.gz XOFFSXBFSPWYRI-UHFFFAOYSA-N -1 1 380.403 1.741 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575215866 952570926 /nfs/dbraw/zinc/57/09/26/952570926.db2.gz XOFFSXBFSPWYRI-UHFFFAOYSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H]1CCN(C(=O)C2(C(F)F)CC2)C1 ZINC001571129534 952575276 /nfs/dbraw/zinc/57/52/76/952575276.db2.gz GISDXRJZPSYVMQ-UWVGGRQHSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)C2(C(F)F)CC2)C1 ZINC001571129534 952575278 /nfs/dbraw/zinc/57/52/78/952575278.db2.gz GISDXRJZPSYVMQ-UWVGGRQHSA-N -1 1 378.387 1.351 20 0 GDADMM O=C(N[C@@H]1CCCC[C@H]1Nc1cncc(-c2nnn[n-]2)n1)C1CC(F)(F)C1 ZINC001571129910 952577938 /nfs/dbraw/zinc/57/79/38/952577938.db2.gz LIRHLNYDEYBSGU-GHMZBOCLSA-N -1 1 378.387 1.541 20 0 GDADMM O=C(N[C@@H]1CCCC[C@H]1Nc1cncc(-c2nn[n-]n2)n1)C1CC(F)(F)C1 ZINC001571129910 952577945 /nfs/dbraw/zinc/57/79/45/952577945.db2.gz LIRHLNYDEYBSGU-GHMZBOCLSA-N -1 1 378.387 1.541 20 0 GDADMM O=C(C[C@H]1CCCC1(F)F)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571130037 952578716 /nfs/dbraw/zinc/57/87/16/952578716.db2.gz NOHHZTVZDDUVFP-GMTAPVOTSA-N -1 1 378.387 1.541 20 0 GDADMM O=C(C[C@H]1CCCC1(F)F)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571130037 952578719 /nfs/dbraw/zinc/57/87/19/952578719.db2.gz NOHHZTVZDDUVFP-GMTAPVOTSA-N -1 1 378.387 1.541 20 0 GDADMM O=C(N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C1CC(F)(F)C1 ZINC001571130918 952582363 /nfs/dbraw/zinc/58/23/63/952582363.db2.gz YLULDNQJKIZAMS-LLVKDONJSA-N -1 1 378.387 1.177 20 0 GDADMM O=C(N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C1CC(F)(F)C1 ZINC001571130918 952582367 /nfs/dbraw/zinc/58/23/67/952582367.db2.gz YLULDNQJKIZAMS-LLVKDONJSA-N -1 1 378.387 1.177 20 0 GDADMM Cc1cccc(C)c1C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571133960 952583465 /nfs/dbraw/zinc/58/34/65/952583465.db2.gz AEBZICIWKOECDU-AWEZNQCLSA-N -1 1 378.440 1.412 20 0 GDADMM CN(C[C@@H]1CCCN(C(=O)c2ccccc2)C1)c1nccnc1-c1nnn[n-]1 ZINC001571134251 952587219 /nfs/dbraw/zinc/58/72/19/952587219.db2.gz DFPOARQCAMMSBO-AWEZNQCLSA-N -1 1 378.440 1.645 20 0 GDADMM CN(C[C@@H]1CCCN(C(=O)c2ccccc2)C1)c1nccnc1-c1nn[n-]n1 ZINC001571134251 952587224 /nfs/dbraw/zinc/58/72/24/952587224.db2.gz DFPOARQCAMMSBO-AWEZNQCLSA-N -1 1 378.440 1.645 20 0 GDADMM Cc1ccc(C)c(C(=O)N2CC[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571134480 952591171 /nfs/dbraw/zinc/59/11/71/952591171.db2.gz IUFOVGAEFZJEBO-AWEZNQCLSA-N -1 1 378.440 1.848 20 0 GDADMM Cc1ccc(C)c(C(=O)N2CC[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571134480 952591173 /nfs/dbraw/zinc/59/11/73/952591173.db2.gz IUFOVGAEFZJEBO-AWEZNQCLSA-N -1 1 378.440 1.848 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H]([C@@H](C)Nc3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001571135417 952604008 /nfs/dbraw/zinc/60/40/08/952604008.db2.gz XLYZLNINGLPLRJ-HIFRSBDPSA-N -1 1 378.440 1.928 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H]([C@@H](C)Nc3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001571135417 952604013 /nfs/dbraw/zinc/60/40/13/952604013.db2.gz XLYZLNINGLPLRJ-HIFRSBDPSA-N -1 1 378.440 1.928 20 0 GDADMM Cc1ccc(C(=O)N(C)C2CCN(c3nccnc3-c3nnn[n-]3)CC2)cc1 ZINC001571135477 952604411 /nfs/dbraw/zinc/60/44/11/952604411.db2.gz YLFFTPBWCWCJMY-UHFFFAOYSA-N -1 1 378.440 1.706 20 0 GDADMM Cc1ccc(C(=O)N(C)C2CCN(c3nccnc3-c3nn[n-]n3)CC2)cc1 ZINC001571135477 952604417 /nfs/dbraw/zinc/60/44/17/952604417.db2.gz YLFFTPBWCWCJMY-UHFFFAOYSA-N -1 1 378.440 1.706 20 0 GDADMM CN(C[C@H]1CCN(C(=O)C2C=CC=CC=C2)C1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571135600 952605514 /nfs/dbraw/zinc/60/55/14/952605514.db2.gz YNSFNHRNFVQIST-CQSZACIVSA-N -1 1 378.440 1.240 20 0 GDADMM CN(C[C@H]1CCN(C(=O)C2C=CC=CC=C2)C1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571135600 952605516 /nfs/dbraw/zinc/60/55/16/952605516.db2.gz YNSFNHRNFVQIST-CQSZACIVSA-N -1 1 378.440 1.240 20 0 GDADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001571135565 952605879 /nfs/dbraw/zinc/60/58/79/952605879.db2.gz XAGGLSRHWKCBLP-HIFRSBDPSA-N -1 1 378.440 1.431 20 0 GDADMM Cc1cc[nH]c1C(=O)N[C@H]1C[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571142751 952646227 /nfs/dbraw/zinc/64/62/27/952646227.db2.gz XLUIXXIERYHQPD-OCAPTIKFSA-N -1 1 378.849 1.986 20 0 GDADMM C[C@H](NC(=O)c1ccccn1)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571146806 952653563 /nfs/dbraw/zinc/65/35/63/952653563.db2.gz CORHWXMGWTWHPC-STQMWFEESA-N -1 1 379.428 1.087 20 0 GDADMM C[C@H](NC(=O)c1ccccn1)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571146806 952653569 /nfs/dbraw/zinc/65/35/69/952653569.db2.gz CORHWXMGWTWHPC-STQMWFEESA-N -1 1 379.428 1.087 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cccnc1 ZINC001571146937 952654411 /nfs/dbraw/zinc/65/44/11/952654411.db2.gz DFVLQKPXXDWHPS-JSGCOSHPSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cccnc1 ZINC001571146937 952654413 /nfs/dbraw/zinc/65/44/13/952654413.db2.gz DFVLQKPXXDWHPS-JSGCOSHPSA-N -1 1 379.428 1.258 20 0 GDADMM CCN(C(=O)c1ccc(C)nc1)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571147123 952657514 /nfs/dbraw/zinc/65/75/14/952657514.db2.gz GUDOYDNJPRPVDY-AWEZNQCLSA-N -1 1 379.428 1.101 20 0 GDADMM CCN(C(=O)c1ccc(C)nc1)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571147123 952657516 /nfs/dbraw/zinc/65/75/16/952657516.db2.gz GUDOYDNJPRPVDY-AWEZNQCLSA-N -1 1 379.428 1.101 20 0 GDADMM Cc1c[nH]cc1C(=O)N[C@]12CCC[C@H]1CN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001571147177 952657615 /nfs/dbraw/zinc/65/76/15/952657615.db2.gz IFPMTMVDXMHXIB-SGTLLEGYSA-N -1 1 379.428 1.082 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ccncc1 ZINC001571148221 952665309 /nfs/dbraw/zinc/66/53/09/952665309.db2.gz VUVMRKBGBGVGAD-TZMCWYRMSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ccncc1 ZINC001571148221 952665310 /nfs/dbraw/zinc/66/53/10/952665310.db2.gz VUVMRKBGBGVGAD-TZMCWYRMSA-N -1 1 379.428 1.258 20 0 GDADMM CCc1cncc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571148249 952666227 /nfs/dbraw/zinc/66/62/27/952666227.db2.gz XAPPFBFIJJDDJC-CQSZACIVSA-N -1 1 379.428 1.013 20 0 GDADMM CCc1cncc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571148249 952666229 /nfs/dbraw/zinc/66/62/29/952666229.db2.gz XAPPFBFIJJDDJC-CQSZACIVSA-N -1 1 379.428 1.013 20 0 GDADMM C[C@H](NC(=O)c1ccccn1)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571148256 952666441 /nfs/dbraw/zinc/66/64/41/952666441.db2.gz XCXAKKVXAQCVGA-LBPRGKRZSA-N -1 1 379.428 1.087 20 0 GDADMM CS(=O)(=O)c1ccc(NC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)cn1 ZINC001571152258 952682396 /nfs/dbraw/zinc/68/23/96/952682396.db2.gz GJQNPMUODPBURR-UHFFFAOYSA-N -1 1 380.336 1.196 20 0 GDADMM CS(=O)(=O)c1ccc(NC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)cn1 ZINC001571152258 952682397 /nfs/dbraw/zinc/68/23/97/952682397.db2.gz GJQNPMUODPBURR-UHFFFAOYSA-N -1 1 380.336 1.196 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CCN(c3nc(-c4nn[n-]n4)c(Cl)s3)C2)co1 ZINC001571154198 952689117 /nfs/dbraw/zinc/68/91/17/952689117.db2.gz ZLFWJSSIRNIFJU-SECBINFHSA-N -1 1 379.833 1.887 20 0 GDADMM COCc1ccccc1C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571155030 952691384 /nfs/dbraw/zinc/69/13/84/952691384.db2.gz FBDKZWITVSQNFY-CYBMUJFWSA-N -1 1 380.412 1.130 20 0 GDADMM COCc1ccccc1C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571155030 952691386 /nfs/dbraw/zinc/69/13/86/952691386.db2.gz FBDKZWITVSQNFY-CYBMUJFWSA-N -1 1 380.412 1.130 20 0 GDADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)NC1CC(OCc2ccccc2)C1 ZINC001571155202 952694047 /nfs/dbraw/zinc/69/40/47/952694047.db2.gz KQNJLNYJCNTSCX-UHFFFAOYSA-N -1 1 380.408 1.753 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1)C(C)(F)F ZINC001571155436 952697155 /nfs/dbraw/zinc/69/71/55/952697155.db2.gz RTDGCBZBDRRJFD-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001571155436 952697157 /nfs/dbraw/zinc/69/71/57/952697157.db2.gz RTDGCBZBDRRJFD-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM Cc1ccncc1C(=O)NC1(C)CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571156004 952699554 /nfs/dbraw/zinc/69/95/54/952699554.db2.gz AOXNFGCAYAGHOU-UHFFFAOYSA-N -1 1 379.428 1.149 20 0 GDADMM Cc1ccncc1C(=O)NC1(C)CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571156004 952699556 /nfs/dbraw/zinc/69/95/56/952699556.db2.gz AOXNFGCAYAGHOU-UHFFFAOYSA-N -1 1 379.428 1.149 20 0 GDADMM Cc1cccc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)[C@@H]2C)n1 ZINC001571157195 952707105 /nfs/dbraw/zinc/70/71/05/952707105.db2.gz NKKYPJFAARTXPP-CHWSQXEVSA-N -1 1 379.428 1.147 20 0 GDADMM Cc1cccc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)[C@@H]2C)n1 ZINC001571157195 952707108 /nfs/dbraw/zinc/70/71/08/952707108.db2.gz NKKYPJFAARTXPP-CHWSQXEVSA-N -1 1 379.428 1.147 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)[C@@H](C)C2)cn1 ZINC001571157216 952707374 /nfs/dbraw/zinc/70/73/74/952707374.db2.gz NMSTZFHVXBKKCJ-SMDDNHRTSA-N -1 1 379.428 1.323 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)[C@@H](C)C2)cn1 ZINC001571157216 952707378 /nfs/dbraw/zinc/70/73/78/952707378.db2.gz NMSTZFHVXBKKCJ-SMDDNHRTSA-N -1 1 379.428 1.323 20 0 GDADMM COc1ccc(C(=O)NC2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)cc1 ZINC001571157907 952707879 /nfs/dbraw/zinc/70/78/79/952707879.db2.gz CIPQTRRKYIAESK-UHFFFAOYSA-N -1 1 380.412 1.064 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@H]([C@@H](C)Nc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571158106 952710422 /nfs/dbraw/zinc/71/04/22/952710422.db2.gz QZQZDZQBAJMWGA-OLZOCXBDSA-N -1 1 379.428 1.323 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@H]([C@@H](C)Nc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571158106 952710423 /nfs/dbraw/zinc/71/04/23/952710423.db2.gz QZQZDZQBAJMWGA-OLZOCXBDSA-N -1 1 379.428 1.323 20 0 GDADMM Cc1cc(C(=O)NC[C@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)cc(C)n1 ZINC001571160304 952725069 /nfs/dbraw/zinc/72/50/69/952725069.db2.gz YFYNLLACZJABGA-CQSZACIVSA-N -1 1 379.428 1.067 20 0 GDADMM Cc1cc(C(=O)NC[C@H]2CCCN2c2cncc(-c3nn[n-]n3)n2)cc(C)n1 ZINC001571160304 952725075 /nfs/dbraw/zinc/72/50/75/952725075.db2.gz YFYNLLACZJABGA-CQSZACIVSA-N -1 1 379.428 1.067 20 0 GDADMM O=C(c1ccco1)N1C[C@@H]2CCC[C@]2(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571160644 952727254 /nfs/dbraw/zinc/72/72/54/952727254.db2.gz KWULJAFROGBQFW-SGTLLEGYSA-N -1 1 380.412 1.026 20 0 GDADMM O=C(c1ccoc1)N1CCC[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CC[C@H]21 ZINC001571161220 952730906 /nfs/dbraw/zinc/73/09/06/952730906.db2.gz RJZDRARSPFQBBV-TZMCWYRMSA-N -1 1 380.412 1.381 20 0 GDADMM Cc1cocc1C(=O)N[C@@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2 ZINC001571161279 952731541 /nfs/dbraw/zinc/73/15/41/952731541.db2.gz UEAMOKIBFNCSBR-QWHCGFSZSA-N -1 1 380.412 1.133 20 0 GDADMM O=C(NCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)c1ccccc1O ZINC001571161460 952733316 /nfs/dbraw/zinc/73/33/16/952733316.db2.gz WHQOJDSFUPLSED-UHFFFAOYSA-N -1 1 380.412 1.009 20 0 GDADMM O=C(NCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)c1ccccc1O ZINC001571161460 952733320 /nfs/dbraw/zinc/73/33/20/952733320.db2.gz WHQOJDSFUPLSED-UHFFFAOYSA-N -1 1 380.412 1.009 20 0 GDADMM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cc2c(o1)CCCC2 ZINC001571161643 952733878 /nfs/dbraw/zinc/73/38/78/952733878.db2.gz ZMNGFLWPOGRXFO-LBPRGKRZSA-N -1 1 380.412 1.137 20 0 GDADMM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cc2c(o1)CCCC2 ZINC001571161643 952733880 /nfs/dbraw/zinc/73/38/80/952733880.db2.gz ZMNGFLWPOGRXFO-LBPRGKRZSA-N -1 1 380.412 1.137 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3CN(C(=O)[C@H]4CC45CC5)C[C@]3(C)C2)n1 ZINC001571170502 952787279 /nfs/dbraw/zinc/78/72/79/952787279.db2.gz VOSRGZGUJNMVEN-VEVIJQCQSA-N -1 1 380.456 1.050 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3CN(C(=O)[C@H]4CC45CC5)C[C@]3(C)C2)n1 ZINC001571170502 952787286 /nfs/dbraw/zinc/78/72/86/952787286.db2.gz VOSRGZGUJNMVEN-VEVIJQCQSA-N -1 1 380.456 1.050 20 0 GDADMM O=C(N[C@H](CO)c1ccc(F)cc1F)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001571171725 952797241 /nfs/dbraw/zinc/79/72/41/952797241.db2.gz FGDHXNAVEPNFJC-CYBMUJFWSA-N -1 1 381.289 1.887 20 0 GDADMM O=C(N[C@H](CO)c1ccc(F)cc1F)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001571171725 952797246 /nfs/dbraw/zinc/79/72/46/952797246.db2.gz FGDHXNAVEPNFJC-CYBMUJFWSA-N -1 1 381.289 1.887 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2CC(c3ccccn3)=NO2)n1 ZINC001571171906 952799370 /nfs/dbraw/zinc/79/93/70/952799370.db2.gz ZGZVIGPZBVPECG-ZDUSSCGKSA-N -1 1 381.400 1.345 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2CC(c3ccccn3)=NO2)n1 ZINC001571171906 952799374 /nfs/dbraw/zinc/79/93/74/952799374.db2.gz ZGZVIGPZBVPECG-ZDUSSCGKSA-N -1 1 381.400 1.345 20 0 GDADMM O=C([C@H]1CC12CC2)N1CCC2(C1)CCN(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001571172200 952802115 /nfs/dbraw/zinc/80/21/15/952802115.db2.gz PBBHQNSOANSXKJ-CYBMUJFWSA-N -1 1 380.456 1.276 20 0 GDADMM O=C([C@H]1CC12CC2)N1CCC2(C1)CCN(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001571172200 952802122 /nfs/dbraw/zinc/80/21/22/952802122.db2.gz PBBHQNSOANSXKJ-CYBMUJFWSA-N -1 1 380.456 1.276 20 0 GDADMM Cc1ncoc1C(=O)N[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571172381 952807361 /nfs/dbraw/zinc/80/73/61/952807361.db2.gz UHUZEZNLMLUNMP-ZETCQYMHSA-N -1 1 380.821 1.282 20 0 GDADMM Cc1ncoc1C(=O)N[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571172381 952807366 /nfs/dbraw/zinc/80/73/66/952807366.db2.gz UHUZEZNLMLUNMP-ZETCQYMHSA-N -1 1 380.821 1.282 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C12CCC2)[C@H]1C[C@H]2C[C@H]2C1 ZINC001571172866 952810349 /nfs/dbraw/zinc/81/03/49/952810349.db2.gz ZTIXGCDQODXPBU-ZSLBOAEBSA-N -1 1 380.456 1.542 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C12CCC2)[C@H]1C[C@H]2C[C@H]2C1 ZINC001571172866 952810358 /nfs/dbraw/zinc/81/03/58/952810358.db2.gz ZTIXGCDQODXPBU-ZSLBOAEBSA-N -1 1 380.456 1.542 20 0 GDADMM Cc1nsc(NC[C@H]2C[C@H](NC(=O)[C@]3(F)CCOC3)C2)c1-c1nn[n-]n1 ZINC001571182881 952870562 /nfs/dbraw/zinc/87/05/62/952870562.db2.gz IJOXGACZWNABMM-YHAQOWFVSA-N -1 1 381.437 1.067 20 0 GDADMM CCN(C(=O)c1cccn1CC)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571183497 952878432 /nfs/dbraw/zinc/87/84/32/952878432.db2.gz CBNCOJOLPFOGPN-CYBMUJFWSA-N -1 1 381.444 1.219 20 0 GDADMM CCN(C(=O)c1cccn1CC)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571183497 952878436 /nfs/dbraw/zinc/87/84/36/952878436.db2.gz CBNCOJOLPFOGPN-CYBMUJFWSA-N -1 1 381.444 1.219 20 0 GDADMM CCc1[nH]ccc1C(=O)N1CCC[C@H]1CN(C)c1nccnc1-c1nnn[n-]1 ZINC001571183752 952882449 /nfs/dbraw/zinc/88/24/49/952882449.db2.gz IPVBTOUMWAADBB-LBPRGKRZSA-N -1 1 381.444 1.288 20 0 GDADMM CCc1[nH]ccc1C(=O)N1CCC[C@H]1CN(C)c1nccnc1-c1nn[n-]n1 ZINC001571183752 952882452 /nfs/dbraw/zinc/88/24/52/952882452.db2.gz IPVBTOUMWAADBB-LBPRGKRZSA-N -1 1 381.444 1.288 20 0 GDADMM CCc1nc(NC[C@H]2CCC[C@H]2NC(=O)c2ccc[nH]2)cc(-c2nnn[n-]2)n1 ZINC001571184469 952893114 /nfs/dbraw/zinc/89/31/14/952893114.db2.gz ZZLIGZVKGVONGO-VXGBXAGGSA-N -1 1 381.444 1.558 20 0 GDADMM CCc1nc(NC[C@H]2CCC[C@H]2NC(=O)c2ccc[nH]2)cc(-c2nn[n-]n2)n1 ZINC001571184469 952893124 /nfs/dbraw/zinc/89/31/24/952893124.db2.gz ZZLIGZVKGVONGO-VXGBXAGGSA-N -1 1 381.444 1.558 20 0 GDADMM Cc1c(C(=O)N[C@H]2CC[C@@H](C)N(c3ccnc(-c4nn[n-]n4)n3)C2)ccn1C ZINC001571184637 952895929 /nfs/dbraw/zinc/89/59/29/952895929.db2.gz BZODGWOCPUSYLM-YPMHNXCESA-N -1 1 381.444 1.091 20 0 GDADMM Cc1[nH]ccc1C(=O)N1C[C@@H](C)[C@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001571184815 952897649 /nfs/dbraw/zinc/89/76/49/952897649.db2.gz DLGDSMSBFZYKTE-DGCLKSJQSA-N -1 1 381.444 1.504 20 0 GDADMM Cc1[nH]ccc1C(=O)N1C[C@@H](C)[C@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001571184815 952897655 /nfs/dbraw/zinc/89/76/55/952897655.db2.gz DLGDSMSBFZYKTE-DGCLKSJQSA-N -1 1 381.444 1.504 20 0 GDADMM Cc1c(C(=O)N2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C(C)(C)C2)ccn1C ZINC001571186290 952906467 /nfs/dbraw/zinc/90/64/67/952906467.db2.gz VMMGGZOSXRWTDM-CYBMUJFWSA-N -1 1 381.444 1.266 20 0 GDADMM Cc1c(C(=O)N2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C(C)(C)C2)ccn1C ZINC001571186290 952906471 /nfs/dbraw/zinc/90/64/71/952906471.db2.gz VMMGGZOSXRWTDM-CYBMUJFWSA-N -1 1 381.444 1.266 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CCCC[C@@H]1[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001571186584 952908272 /nfs/dbraw/zinc/90/82/72/952908272.db2.gz XRUZEXHSIUYXGK-IUODEOHRSA-N -1 1 381.444 1.789 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CCCC[C@@H]1[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001571186584 952908278 /nfs/dbraw/zinc/90/82/78/952908278.db2.gz XRUZEXHSIUYXGK-IUODEOHRSA-N -1 1 381.444 1.789 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CCCC[C@@H]1[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571188172 952912678 /nfs/dbraw/zinc/91/26/78/952912678.db2.gz HINYKRRIGJCRLP-GXTWGEPZSA-N -1 1 381.444 1.789 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CCCC[C@@H]1[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571188172 952912681 /nfs/dbraw/zinc/91/26/81/952912681.db2.gz HINYKRRIGJCRLP-GXTWGEPZSA-N -1 1 381.444 1.789 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)c(C)n1C ZINC001571189036 952923915 /nfs/dbraw/zinc/92/39/15/952923915.db2.gz QENPDQUZXIKRBB-ZDUSSCGKSA-N -1 1 381.444 1.186 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)c(C)n1C ZINC001571189036 952923921 /nfs/dbraw/zinc/92/39/21/952923921.db2.gz QENPDQUZXIKRBB-ZDUSSCGKSA-N -1 1 381.444 1.186 20 0 GDADMM Cc1ccn(C)c1C(=O)N1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571189329 952927851 /nfs/dbraw/zinc/92/78/51/952927851.db2.gz VBHCFSHTDQZVEH-ZDUSSCGKSA-N -1 1 381.444 1.268 20 0 GDADMM Cc1ccn(C)c1C(=O)N1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571189329 952927857 /nfs/dbraw/zinc/92/78/57/952927857.db2.gz VBHCFSHTDQZVEH-ZDUSSCGKSA-N -1 1 381.444 1.268 20 0 GDADMM CC[C@@H](SC)C(=O)N1CC[C@@H](N(C)c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571191255 952945557 /nfs/dbraw/zinc/94/55/57/952945557.db2.gz OYZVACFBFZMUDA-GHMZBOCLSA-N -1 1 381.531 1.810 20 0 GDADMM CC[C@H](SC)C(=O)N1CC[C@H](N(C)c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571191262 952945644 /nfs/dbraw/zinc/94/56/44/952945644.db2.gz OYZVACFBFZMUDA-QWRGUYRKSA-N -1 1 381.531 1.810 20 0 GDADMM O=C(CC(F)(F)F)N1CC[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001571194409 952961672 /nfs/dbraw/zinc/96/16/72/952961672.db2.gz LTFAWGCCOGAMDC-AWEZNQCLSA-N -1 1 382.350 1.038 20 0 GDADMM O=C(CC(F)(F)F)N1CC[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001571194409 952961674 /nfs/dbraw/zinc/96/16/74/952961674.db2.gz LTFAWGCCOGAMDC-AWEZNQCLSA-N -1 1 382.350 1.038 20 0 GDADMM C[C@H](C(=O)Nc1ccc([C@@H](O)C(F)(F)F)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001571194514 952964132 /nfs/dbraw/zinc/96/41/32/952964132.db2.gz OHUOMFKTAUBRFR-GMSGAONNSA-N -1 1 382.306 1.254 20 0 GDADMM Cc1cccc(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)c1F ZINC001571195545 952975982 /nfs/dbraw/zinc/97/59/82/952975982.db2.gz BOIPRDMYGNIBMR-GFCCVEGCSA-N -1 1 382.403 1.821 20 0 GDADMM Cc1cccc(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)c1F ZINC001571195545 952975986 /nfs/dbraw/zinc/97/59/86/952975986.db2.gz BOIPRDMYGNIBMR-GFCCVEGCSA-N -1 1 382.403 1.821 20 0 GDADMM Cc1cc(F)cc(C(=O)N2CC[C@H](N(C)c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571195529 952976112 /nfs/dbraw/zinc/97/61/12/952976112.db2.gz AYYBHPHBINLDKR-AWEZNQCLSA-N -1 1 382.403 1.455 20 0 GDADMM Cc1cc(F)cc(C(=O)N2CC[C@H](N(C)c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571195529 952976115 /nfs/dbraw/zinc/97/61/15/952976115.db2.gz AYYBHPHBINLDKR-AWEZNQCLSA-N -1 1 382.403 1.455 20 0 GDADMM Cc1cccc(F)c1C(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571195730 952978860 /nfs/dbraw/zinc/97/88/60/952978860.db2.gz FMJSBPBWNFUEGA-GFCCVEGCSA-N -1 1 382.403 1.821 20 0 GDADMM Cc1cccc(F)c1C(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571195730 952978869 /nfs/dbraw/zinc/97/88/69/952978869.db2.gz FMJSBPBWNFUEGA-GFCCVEGCSA-N -1 1 382.403 1.821 20 0 GDADMM Cc1cc(F)cc(C(=O)N2CCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)c1 ZINC001571196138 952980243 /nfs/dbraw/zinc/98/02/43/952980243.db2.gz HQGWKKFEXCSQHN-CQSZACIVSA-N -1 1 382.403 1.821 20 0 GDADMM Cc1cc(F)cc(C(=O)N2CCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)c1 ZINC001571196138 952980248 /nfs/dbraw/zinc/98/02/48/952980248.db2.gz HQGWKKFEXCSQHN-CQSZACIVSA-N -1 1 382.403 1.821 20 0 GDADMM Cc1cc(F)cc(C(=O)N2C[C@@H](C)[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571196913 952984674 /nfs/dbraw/zinc/98/46/74/952984674.db2.gz PVJDWXBOZHAIIZ-IAQYHMDHSA-N -1 1 382.403 1.677 20 0 GDADMM Cc1cc(F)cc(C(=O)N2C[C@@H](C)[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571196913 952984678 /nfs/dbraw/zinc/98/46/78/952984678.db2.gz PVJDWXBOZHAIIZ-IAQYHMDHSA-N -1 1 382.403 1.677 20 0 GDADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)c2ccccc2F)C1 ZINC001571196939 952985737 /nfs/dbraw/zinc/98/57/37/952985737.db2.gz QEONBIWTSXVUKD-VXGBXAGGSA-N -1 1 382.403 1.759 20 0 GDADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)c2ccccc2F)C1 ZINC001571196939 952985743 /nfs/dbraw/zinc/98/57/43/952985743.db2.gz QEONBIWTSXVUKD-VXGBXAGGSA-N -1 1 382.403 1.759 20 0 GDADMM Cc1c(F)cccc1C(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571197110 952985752 /nfs/dbraw/zinc/98/57/52/952985752.db2.gz SFIQLRUGUQYZMB-LBPRGKRZSA-N -1 1 382.403 1.243 20 0 GDADMM CCc1occc1C(=O)N1CC[C@@H](CN(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571198748 952992595 /nfs/dbraw/zinc/99/25/95/952992595.db2.gz FNNNUQQDUNDJLN-LBPRGKRZSA-N -1 1 382.428 1.411 20 0 GDADMM CCc1occc1C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)[C@H](C)C1 ZINC001571198978 952995484 /nfs/dbraw/zinc/99/54/84/952995484.db2.gz JJQRYQUIPZIXMB-DGCLKSJQSA-N -1 1 382.428 1.775 20 0 GDADMM CCc1occc1C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)[C@H](C)C1 ZINC001571198978 952995488 /nfs/dbraw/zinc/99/54/88/952995488.db2.gz JJQRYQUIPZIXMB-DGCLKSJQSA-N -1 1 382.428 1.775 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)c(C)o1 ZINC001571200170 953007991 /nfs/dbraw/zinc/00/79/91/953007991.db2.gz BGCWXCXHCUGGSQ-STQMWFEESA-N -1 1 382.428 1.877 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)c(C)o1 ZINC001571200170 953007994 /nfs/dbraw/zinc/00/79/94/953007994.db2.gz BGCWXCXHCUGGSQ-STQMWFEESA-N -1 1 382.428 1.877 20 0 GDADMM Cc1cocc1C(=O)N[C@H]1CC[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571201067 953014233 /nfs/dbraw/zinc/01/42/33/953014233.db2.gz JETLNTYMDMUDSQ-OLZOCXBDSA-N -1 1 382.428 1.877 20 0 GDADMM Cc1cocc1C(=O)N[C@H]1CC[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571201067 953014237 /nfs/dbraw/zinc/01/42/37/953014237.db2.gz JETLNTYMDMUDSQ-OLZOCXBDSA-N -1 1 382.428 1.877 20 0 GDADMM O=C(N[C@@H]1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccc(F)cc1 ZINC001571201176 953016267 /nfs/dbraw/zinc/01/62/67/953016267.db2.gz OZQGPUXSYMOARC-ZIAGYGMSSA-N -1 1 382.403 1.949 20 0 GDADMM O=C(N[C@@H]1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccc(F)cc1 ZINC001571201176 953016269 /nfs/dbraw/zinc/01/62/69/953016269.db2.gz OZQGPUXSYMOARC-ZIAGYGMSSA-N -1 1 382.403 1.949 20 0 GDADMM Cc1cc(C(=O)NC[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c(C)o1 ZINC001571201326 953016627 /nfs/dbraw/zinc/01/66/27/953016627.db2.gz KBDXMYNMELTEPN-ZWNOBZJWSA-N -1 1 382.428 1.369 20 0 GDADMM Cc1cc(C(=O)NC[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c(C)o1 ZINC001571201326 953016633 /nfs/dbraw/zinc/01/66/33/953016633.db2.gz KBDXMYNMELTEPN-ZWNOBZJWSA-N -1 1 382.428 1.369 20 0 GDADMM Cc1ccc(C(=O)NC[C@@H]2CCCCCN2c2cnc(-c3nnn[n-]3)cn2)o1 ZINC001571201631 953019007 /nfs/dbraw/zinc/01/90/07/953019007.db2.gz LZQMCAFZUULOMS-ZDUSSCGKSA-N -1 1 382.428 1.737 20 0 GDADMM Cc1ccc(C(=O)NC[C@@H]2CCCCCN2c2cnc(-c3nn[n-]n3)cn2)o1 ZINC001571201631 953019011 /nfs/dbraw/zinc/01/90/11/953019011.db2.gz LZQMCAFZUULOMS-ZDUSSCGKSA-N -1 1 382.428 1.737 20 0 GDADMM C[C@@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1ccco1 ZINC001571201893 953020396 /nfs/dbraw/zinc/02/03/96/953020396.db2.gz SNKZDYRSPUIOBK-OLZOCXBDSA-N -1 1 382.428 1.674 20 0 GDADMM C[C@@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1ccco1 ZINC001571201893 953020400 /nfs/dbraw/zinc/02/04/00/953020400.db2.gz SNKZDYRSPUIOBK-OLZOCXBDSA-N -1 1 382.428 1.674 20 0 GDADMM Cc1oc(C)c(C(=O)N2C[C@@H](C)[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1C ZINC001571207152 953060011 /nfs/dbraw/zinc/06/00/11/953060011.db2.gz WIKFGIXVDKKDHA-OTYXRUKQSA-N -1 1 382.428 1.748 20 0 GDADMM Cc1oc(C)c(C(=O)N2C[C@@H](C)[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1C ZINC001571207152 953060014 /nfs/dbraw/zinc/06/00/14/953060014.db2.gz WIKFGIXVDKKDHA-OTYXRUKQSA-N -1 1 382.428 1.748 20 0 GDADMM CC(C)(C)c1nc[nH]c1C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571207200 953060700 /nfs/dbraw/zinc/06/07/00/953060700.db2.gz WYIWLSUNFNPRMF-SNVBAGLBSA-N -1 1 382.432 1.004 20 0 GDADMM Cc1cscc1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001571210213 953071541 /nfs/dbraw/zinc/07/15/41/953071541.db2.gz OMEDVXSMFWNKCL-TXEJJXNPSA-N -1 1 382.453 1.520 20 0 GDADMM Cc1cscc1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001571210213 953071545 /nfs/dbraw/zinc/07/15/45/953071545.db2.gz OMEDVXSMFWNKCL-TXEJJXNPSA-N -1 1 382.453 1.520 20 0 GDADMM O=C(N[C@@]12CCC[C@@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2)c1ccsc1 ZINC001571210429 953071898 /nfs/dbraw/zinc/07/18/98/953071898.db2.gz RNNFYWLKOUPRKK-SUMWQHHRSA-N -1 1 382.453 1.650 20 0 GDADMM O=C(N[C@@]12CCC[C@@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2)c1ccsc1 ZINC001571210429 953071903 /nfs/dbraw/zinc/07/19/03/953071903.db2.gz RNNFYWLKOUPRKK-SUMWQHHRSA-N -1 1 382.453 1.650 20 0 GDADMM CCN(CC1CCN(C(=O)[C@@H]2CC23CC3)CC1)c1nccnc1-c1nnn[n-]1 ZINC001571211596 953078573 /nfs/dbraw/zinc/07/85/73/953078573.db2.gz CPSFFHWCCHRXIB-AWEZNQCLSA-N -1 1 382.472 1.522 20 0 GDADMM CCN(CC1CCN(C(=O)[C@@H]2CC23CC3)CC1)c1nccnc1-c1nn[n-]n1 ZINC001571211596 953078577 /nfs/dbraw/zinc/07/85/77/953078577.db2.gz CPSFFHWCCHRXIB-AWEZNQCLSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C(=O)N2CCC[C@H]([C@H]3CCN(c4cncc(-c5nnn[n-]5)n4)C3)C2)CC1 ZINC001571211766 953080218 /nfs/dbraw/zinc/08/02/18/953080218.db2.gz FQPRREFJIAAQHN-KBPBESRZSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C(=O)N2CCC[C@H]([C@H]3CCN(c4cncc(-c5nn[n-]n5)n4)C3)C2)CC1 ZINC001571211766 953080221 /nfs/dbraw/zinc/08/02/21/953080221.db2.gz FQPRREFJIAAQHN-KBPBESRZSA-N -1 1 382.472 1.522 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCCN(C(=O)[C@@H]3CC34CCCC4)CC2)n1 ZINC001571211741 953080792 /nfs/dbraw/zinc/08/07/92/953080792.db2.gz DVOOZUGZSSVPSF-AWEZNQCLSA-N -1 1 382.472 1.584 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCCN(C(=O)[C@@H]3CC34CCCC4)CC2)n1 ZINC001571211741 953080794 /nfs/dbraw/zinc/08/07/94/953080794.db2.gz DVOOZUGZSSVPSF-AWEZNQCLSA-N -1 1 382.472 1.584 20 0 GDADMM CC1CC(C(=O)N2C[C@@H]3CCC[C@]3(CNc3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571212504 953088887 /nfs/dbraw/zinc/08/88/87/953088887.db2.gz MQKQOURUDZGHJC-LQEHGROVSA-N -1 1 382.472 1.743 20 0 GDADMM CC1CC(C(=O)N2C[C@@H]3CCC[C@]3(CNc3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571212504 953088890 /nfs/dbraw/zinc/08/88/90/953088890.db2.gz MQKQOURUDZGHJC-LQEHGROVSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@@H]1CN(C(=O)C(C2CC2)C2CC2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571212602 953089339 /nfs/dbraw/zinc/08/93/39/953089339.db2.gz NNJBRADOLWALBK-BXUZGUMPSA-N -1 1 382.472 1.599 20 0 GDADMM C[C@@H]1CN(C(=O)C(C2CC2)C2CC2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571212602 953089344 /nfs/dbraw/zinc/08/93/44/953089344.db2.gz NNJBRADOLWALBK-BXUZGUMPSA-N -1 1 382.472 1.599 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H]2CNC(=O)[C@@H]2C[C@H]2C2CCC2)n1 ZINC001571212988 953091390 /nfs/dbraw/zinc/09/13/90/953091390.db2.gz PFZMYPOMXLDSGU-SOUVJXGZSA-N -1 1 382.472 1.486 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H]2CNC(=O)[C@@H]2C[C@H]2C2CCC2)n1 ZINC001571212988 953091392 /nfs/dbraw/zinc/09/13/92/953091392.db2.gz PFZMYPOMXLDSGU-SOUVJXGZSA-N -1 1 382.472 1.486 20 0 GDADMM C[C@@H](NC(=O)[C@H]1C[C@H]2C[C@H]2C1)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571212872 953091727 /nfs/dbraw/zinc/09/17/27/953091727.db2.gz NSEOWERJQAWLTQ-SEBNEYGDSA-N -1 1 382.472 1.424 20 0 GDADMM C[C@@H](NC(=O)[C@H]1C[C@H]2C[C@H]2C1)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571212872 953091730 /nfs/dbraw/zinc/09/17/30/953091730.db2.gz NSEOWERJQAWLTQ-SEBNEYGDSA-N -1 1 382.472 1.424 20 0 GDADMM C[C@H]1C[C@H](NC(=O)C(C2CC2)C2CC2)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571213602 953097025 /nfs/dbraw/zinc/09/70/25/953097025.db2.gz SDJOSBRLBPXMNY-SMDDNHRTSA-N -1 1 382.472 1.566 20 0 GDADMM C[C@H]1C[C@H](NC(=O)C(C2CC2)C2CC2)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571213602 953097030 /nfs/dbraw/zinc/09/70/30/953097030.db2.gz SDJOSBRLBPXMNY-SMDDNHRTSA-N -1 1 382.472 1.566 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)C(C2CC2)C2CC2)CCN1c1nccnc1-c1nnn[n-]1 ZINC001571214031 953098328 /nfs/dbraw/zinc/09/83/28/953098328.db2.gz VMUURHFPLMBCMH-UONOGXRCSA-N -1 1 382.472 1.566 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)C(C2CC2)C2CC2)CCN1c1nccnc1-c1nn[n-]n1 ZINC001571214031 953098333 /nfs/dbraw/zinc/09/83/33/953098333.db2.gz VMUURHFPLMBCMH-UONOGXRCSA-N -1 1 382.472 1.566 20 0 GDADMM O=C(N1CCC[C@H](CCNc2nccnc2-c2nnn[n-]2)C1)[C@]12C[C@H]1CCC2 ZINC001571218020 953112941 /nfs/dbraw/zinc/11/29/41/953112941.db2.gz KLNLEZCCXJDZCF-PJIJBLCYSA-N -1 1 382.472 1.888 20 0 GDADMM O=C(N1CCC[C@H](CCNc2nccnc2-c2nn[n-]n2)C1)[C@]12C[C@H]1CCC2 ZINC001571218020 953112942 /nfs/dbraw/zinc/11/29/42/953112942.db2.gz KLNLEZCCXJDZCF-PJIJBLCYSA-N -1 1 382.472 1.888 20 0 GDADMM O=C(CCC1CCC1)N1CC[C@H]2[C@@H](CCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001571218842 953119475 /nfs/dbraw/zinc/11/94/75/953119475.db2.gz RXGWQKSLTHJFAI-GJZGRUSLSA-N -1 1 382.472 1.664 20 0 GDADMM O=C(CCC1CCC1)N1CC[C@H]2[C@@H](CCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001571218842 953119480 /nfs/dbraw/zinc/11/94/80/953119480.db2.gz RXGWQKSLTHJFAI-GJZGRUSLSA-N -1 1 382.472 1.664 20 0 GDADMM O=C(CCC1CCC1)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571218941 953121078 /nfs/dbraw/zinc/12/10/78/953121078.db2.gz SROLUWDXPRMINI-HZPDHXFCSA-N -1 1 382.472 1.807 20 0 GDADMM O=C(CCC1CCC1)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571218941 953121082 /nfs/dbraw/zinc/12/10/82/953121082.db2.gz SROLUWDXPRMINI-HZPDHXFCSA-N -1 1 382.472 1.807 20 0 GDADMM O=C([C@@H]1CCCC2(CC2)C1)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571219093 953122550 /nfs/dbraw/zinc/12/25/50/953122550.db2.gz VBQYDVUSYNEMOV-ZIAGYGMSSA-N -1 1 382.472 1.888 20 0 GDADMM O=C([C@@H]1CCCC2(CC2)C1)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571219093 953122551 /nfs/dbraw/zinc/12/25/51/953122551.db2.gz VBQYDVUSYNEMOV-ZIAGYGMSSA-N -1 1 382.472 1.888 20 0 GDADMM COc1ncc(NC(=O)NC[C@H](O)[C@@H](C)c2ccccc2)cc1-c1nn[n-]n1 ZINC001571219223 953124374 /nfs/dbraw/zinc/12/43/74/953124374.db2.gz MRTQOKMSNFKOPV-NHYWBVRUSA-N -1 1 383.412 1.556 20 0 GDADMM O=C(CCC1CC1)N1CCC2(C1)CCN(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001571219304 953125419 /nfs/dbraw/zinc/12/54/19/953125419.db2.gz WVUPGDGUKKNRMW-UHFFFAOYSA-N -1 1 382.472 1.666 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571222531 953136102 /nfs/dbraw/zinc/13/61/02/953136102.db2.gz IJJAPCUWCWRACI-LLVKDONJSA-N -1 1 383.416 1.024 20 0 GDADMM CCCc1nc(C)c(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)o1 ZINC001571222617 953136934 /nfs/dbraw/zinc/13/69/34/953136934.db2.gz KAPWIOYKHJVTHS-NSHDSACASA-N -1 1 383.416 1.232 20 0 GDADMM CCCc1nc(C)c(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)o1 ZINC001571222617 953136935 /nfs/dbraw/zinc/13/69/35/953136935.db2.gz KAPWIOYKHJVTHS-NSHDSACASA-N -1 1 383.416 1.232 20 0 GDADMM CCc1ocnc1C(=O)N1CC[C@H](Nc2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001571222733 953137771 /nfs/dbraw/zinc/13/77/71/953137771.db2.gz KJIRVLLMYWRLJH-JTQLQIEISA-N -1 1 383.416 1.096 20 0 GDADMM CCc1ocnc1C(=O)N1CC[C@H](Nc2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001571222733 953137772 /nfs/dbraw/zinc/13/77/72/953137772.db2.gz KJIRVLLMYWRLJH-JTQLQIEISA-N -1 1 383.416 1.096 20 0 GDADMM CCc1ncoc1C(=O)N1C[C@H](C)[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571223547 953145560 /nfs/dbraw/zinc/14/55/60/953145560.db2.gz UWQWDJFAMRVIMO-WDEREUQCSA-N -1 1 383.416 1.027 20 0 GDADMM CCc1ncoc1C(=O)N1C[C@H](C)[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571223547 953145562 /nfs/dbraw/zinc/14/55/62/953145562.db2.gz UWQWDJFAMRVIMO-WDEREUQCSA-N -1 1 383.416 1.027 20 0 GDADMM Cc1ncoc1C(=O)N1C[C@@H](C)[C@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001571224588 953149654 /nfs/dbraw/zinc/14/96/54/953149654.db2.gz AJLMTPMBKPQBJK-ZYHUDNBSSA-N -1 1 383.416 1.163 20 0 GDADMM Cc1ncoc1C(=O)N1C[C@@H](C)[C@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001571224588 953149657 /nfs/dbraw/zinc/14/96/57/953149657.db2.gz AJLMTPMBKPQBJK-ZYHUDNBSSA-N -1 1 383.416 1.163 20 0 GDADMM Cc1ncoc1C(=O)N1CCC(C)(Nc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001571225162 953152037 /nfs/dbraw/zinc/15/20/37/953152037.db2.gz IAYQGBGUWOIPEX-UHFFFAOYSA-N -1 1 383.416 1.368 20 0 GDADMM Cc1ncoc1C(=O)N1CCC(C)(Nc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001571225162 953152042 /nfs/dbraw/zinc/15/20/42/953152042.db2.gz IAYQGBGUWOIPEX-UHFFFAOYSA-N -1 1 383.416 1.368 20 0 GDADMM Cc1ocnc1C(=O)N1CC[C@@H]([C@H](C)Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571225242 953152761 /nfs/dbraw/zinc/15/27/61/953152761.db2.gz IUUOHSURCPUDNO-CMPLNLGQSA-N -1 1 383.416 1.224 20 0 GDADMM Cc1ocnc1C(=O)N1CC[C@@H]([C@H](C)Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571225242 953152763 /nfs/dbraw/zinc/15/27/63/953152763.db2.gz IUUOHSURCPUDNO-CMPLNLGQSA-N -1 1 383.416 1.224 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CC[C@@H](C)N(c3nc(C)cc(-c4nnn[n-]4)n3)C2)on1 ZINC001571225632 953153592 /nfs/dbraw/zinc/15/35/92/953153592.db2.gz LWELKMLTQQWQEG-NEPJUHHUSA-N -1 1 383.416 1.049 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CC[C@@H](C)N(c3nc(C)cc(-c4nn[n-]n4)n3)C2)on1 ZINC001571225632 953153595 /nfs/dbraw/zinc/15/35/95/953153595.db2.gz LWELKMLTQQWQEG-NEPJUHHUSA-N -1 1 383.416 1.049 20 0 GDADMM Cc1noc(C)c1C(=O)N1CCC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001571226946 953157666 /nfs/dbraw/zinc/15/76/66/953157666.db2.gz XKYXILVEKLZLDI-GFCCVEGCSA-N -1 1 383.416 1.003 20 0 GDADMM Cc1noc(C)c1C(=O)N1CCC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001571226946 953157668 /nfs/dbraw/zinc/15/76/68/953157668.db2.gz XKYXILVEKLZLDI-GFCCVEGCSA-N -1 1 383.416 1.003 20 0 GDADMM Cc1cnoc1C(=O)NC1(C)CCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001571227134 953158423 /nfs/dbraw/zinc/15/84/23/953158423.db2.gz ZLEUZMVVLAUMLV-UHFFFAOYSA-N -1 1 383.416 1.050 20 0 GDADMM Cc1cnoc1C(=O)NC1(C)CCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001571227134 953158425 /nfs/dbraw/zinc/15/84/25/953158425.db2.gz ZLEUZMVVLAUMLV-UHFFFAOYSA-N -1 1 383.416 1.050 20 0 GDADMM Cc1nsc(N2CCC(CNC(=O)[C@@H]3CC3(F)F)CC2)c1-c1nn[n-]n1 ZINC001571230592 953178249 /nfs/dbraw/zinc/17/82/49/953178249.db2.gz YGYQLTDXAQEKSA-JTQLQIEISA-N -1 1 383.428 1.619 20 0 GDADMM C[C@]1(C(=O)N2CC[C@H](Nc3snc(Cl)c3-c3nnn[n-]3)C2)CCOC1 ZINC001571234714 953204377 /nfs/dbraw/zinc/20/43/77/953204377.db2.gz GLVFZKGDVWTTAS-RTHLEPHNSA-N -1 1 383.865 1.416 20 0 GDADMM C[C@]1(C(=O)N2CC[C@H](Nc3snc(Cl)c3-c3nn[n-]n3)C2)CCOC1 ZINC001571234714 953204379 /nfs/dbraw/zinc/20/43/79/953204379.db2.gz GLVFZKGDVWTTAS-RTHLEPHNSA-N -1 1 383.865 1.416 20 0 GDADMM CCO[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571234865 953206432 /nfs/dbraw/zinc/20/64/32/953206432.db2.gz LARMFIYPKDWVGI-FNCVBFRFSA-N -1 1 383.865 1.461 20 0 GDADMM CCO[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571234865 953206435 /nfs/dbraw/zinc/20/64/35/953206435.db2.gz LARMFIYPKDWVGI-FNCVBFRFSA-N -1 1 383.865 1.461 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1cncc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001571235045 953208736 /nfs/dbraw/zinc/20/87/36/953208736.db2.gz QVYSJESKQRXKMH-VHSXEESVSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1cncc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001571235045 953208739 /nfs/dbraw/zinc/20/87/39/953208739.db2.gz QVYSJESKQRXKMH-VHSXEESVSA-N -1 1 384.366 1.282 20 0 GDADMM O=C(C[C@@H]1CCCO1)N1CC[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571235146 953209134 /nfs/dbraw/zinc/20/91/34/953209134.db2.gz UZOHNYOOJGKEIG-BDAKNGLRSA-N -1 1 383.865 1.559 20 0 GDADMM O=C(C[C@@H]1CCCO1)N1CC[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571235146 953209137 /nfs/dbraw/zinc/20/91/37/953209137.db2.gz UZOHNYOOJGKEIG-BDAKNGLRSA-N -1 1 383.865 1.559 20 0 GDADMM COc1ccc([C@@H](C)NC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)c(OC)c1 ZINC001571235336 953211382 /nfs/dbraw/zinc/21/13/82/953211382.db2.gz AFTNVNYHOWUMDQ-SNVBAGLBSA-N -1 1 384.396 1.784 20 0 GDADMM COc1cccc(CCNC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)c1OC ZINC001571236393 953217169 /nfs/dbraw/zinc/21/71/69/953217169.db2.gz YMJBKBYUTDGTET-UHFFFAOYSA-N -1 1 384.396 1.265 20 0 GDADMM CCc1nc(N[C@H]2C[C@@H](CNC(=O)c3ccsc3)C2)cc(-c2nnn[n-]2)n1 ZINC001571244565 953264681 /nfs/dbraw/zinc/26/46/81/953264681.db2.gz AZEWRJHKXNMICL-KLPPZKSPSA-N -1 1 384.469 1.901 20 0 GDADMM CCc1nc(N[C@H]2C[C@@H](CNC(=O)c3ccsc3)C2)cc(-c2nn[n-]n2)n1 ZINC001571244565 953264683 /nfs/dbraw/zinc/26/46/83/953264683.db2.gz AZEWRJHKXNMICL-KLPPZKSPSA-N -1 1 384.469 1.901 20 0 GDADMM CCc1ccc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H]2C)s1 ZINC001571244586 953264911 /nfs/dbraw/zinc/26/49/11/953264911.db2.gz BPYDZHCOAFIRIJ-CMPLNLGQSA-N -1 1 384.469 1.996 20 0 GDADMM CCc1ccc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H]2C)s1 ZINC001571244586 953264915 /nfs/dbraw/zinc/26/49/15/953264915.db2.gz BPYDZHCOAFIRIJ-CMPLNLGQSA-N -1 1 384.469 1.996 20 0 GDADMM C[C@H]1CN(C(=O)Cc2ccsc2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571244547 953265159 /nfs/dbraw/zinc/26/51/59/953265159.db2.gz AMLDKBUEXGFBIF-AAEUAGOBSA-N -1 1 384.469 1.467 20 0 GDADMM C[C@H]1CN(C(=O)Cc2ccsc2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571244547 953265161 /nfs/dbraw/zinc/26/51/61/953265161.db2.gz AMLDKBUEXGFBIF-AAEUAGOBSA-N -1 1 384.469 1.467 20 0 GDADMM CCc1sc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)cc1C ZINC001571244827 953267461 /nfs/dbraw/zinc/26/74/61/953267461.db2.gz JVUQEBMQMUQWBY-LLVKDONJSA-N -1 1 384.469 1.916 20 0 GDADMM CCc1sc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)cc1C ZINC001571244827 953267464 /nfs/dbraw/zinc/26/74/64/953267464.db2.gz JVUQEBMQMUQWBY-LLVKDONJSA-N -1 1 384.469 1.916 20 0 GDADMM CCc1ccc(C(=O)N(C)[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)s1 ZINC001571245567 953274617 /nfs/dbraw/zinc/27/46/17/953274617.db2.gz VOWNZXPKFJFVSQ-NSHDSACASA-N -1 1 384.469 1.632 20 0 GDADMM CCc1ccc(C(=O)N(C)[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)s1 ZINC001571245567 953274618 /nfs/dbraw/zinc/27/46/18/953274618.db2.gz VOWNZXPKFJFVSQ-NSHDSACASA-N -1 1 384.469 1.632 20 0 GDADMM Cc1sccc1CC(=O)N[C@@H]1C[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571245534 953274660 /nfs/dbraw/zinc/27/46/60/953274660.db2.gz USGRKXFUUMTHPJ-BETUJISGSA-N -1 1 384.469 1.637 20 0 GDADMM Cc1sccc1CC(=O)N[C@@H]1C[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571245534 953274663 /nfs/dbraw/zinc/27/46/63/953274663.db2.gz USGRKXFUUMTHPJ-BETUJISGSA-N -1 1 384.469 1.637 20 0 GDADMM Cc1csc(C(=O)N(C)C2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)c1 ZINC001571245683 953276061 /nfs/dbraw/zinc/27/60/61/953276061.db2.gz YGXIOZTULFQGIX-UHFFFAOYSA-N -1 1 384.469 1.768 20 0 GDADMM Cc1csc(C(=O)N(C)C2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)c1 ZINC001571245683 953276064 /nfs/dbraw/zinc/27/60/64/953276064.db2.gz YGXIOZTULFQGIX-UHFFFAOYSA-N -1 1 384.469 1.768 20 0 GDADMM 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COC(=O)c1cc(F)cc(S(=O)(=O)[N-]CCC(=O)NC(C)(C)C)c1F ZINC000599233565 532015796 /nfs/dbraw/zinc/01/57/96/532015796.db2.gz DLCSNMKUROINDH-UHFFFAOYSA-N -1 1 378.397 1.335 20 0 GDADMM CCc1ccc(S(=O)(=O)[N-][C@H](CS(=O)(=O)N(C)C)C(F)(F)F)s1 ZINC000285031747 532021751 /nfs/dbraw/zinc/02/17/51/532021751.db2.gz IJFSLMSQXBZSGT-SECBINFHSA-N -1 1 394.462 1.411 20 0 GDADMM CCCCCS(=O)(=O)CC(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O ZINC000271519945 532021993 /nfs/dbraw/zinc/02/19/93/532021993.db2.gz PPPLUVUJAHCNCH-UHFFFAOYSA-N -1 1 380.463 1.741 20 0 GDADMM COC(=O)c1c[n-]c(S(=O)(=O)[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)n1 ZINC000285045150 532024732 /nfs/dbraw/zinc/02/47/32/532024732.db2.gz HDJCZFZGEBVQJZ-VIFPVBQESA-N -1 1 385.829 1.959 20 0 GDADMM CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)c2cc(Br)ccc2[O-])C1=O ZINC000372712512 532041618 /nfs/dbraw/zinc/04/16/18/532041618.db2.gz GLXMGIZIZITREO-XXFAHNHDSA-N -1 1 396.241 1.605 20 0 GDADMM CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1cccc(F)c1F ZINC000285182478 532043594 /nfs/dbraw/zinc/04/35/94/532043594.db2.gz BTVZUZUKGQAZMU-ZYHUDNBSSA-N -1 1 382.454 1.351 20 0 GDADMM CC1(C)CN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C[C@@H]1O ZINC000579774802 532068393 /nfs/dbraw/zinc/06/83/93/532068393.db2.gz YRDAHYMSDIYZTH-NSHDSACASA-N -1 1 381.281 1.501 20 0 GDADMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1 ZINC000327391256 532082594 /nfs/dbraw/zinc/08/25/94/532082594.db2.gz YFVWBBWUHJNPTQ-UHFFFAOYSA-N -1 1 392.386 1.598 20 0 GDADMM CCCS(=O)(=O)NCc1ccc(S(=O)(=O)[N-]c2ncccc2F)cc1 ZINC000424212998 532085541 /nfs/dbraw/zinc/08/55/41/532085541.db2.gz RTRMOTJIHDRFDX-UHFFFAOYSA-N -1 1 387.458 1.851 20 0 GDADMM COCCOC1(C[N-]S(=O)(=O)c2c(F)cc(C)cc2F)CCOCC1 ZINC000425185934 532124218 /nfs/dbraw/zinc/12/42/18/532124218.db2.gz MMVUWLOKDUBQKG-UHFFFAOYSA-N -1 1 379.425 1.764 20 0 GDADMM COC(=O)c1cnc([C@@H](C)[N-]S(=O)(=O)c2c(C(F)F)c(C)nn2C)s1 ZINC000425209020 532128329 /nfs/dbraw/zinc/12/83/29/532128329.db2.gz SUPNMWVKXQEUGU-SSDOTTSWSA-N -1 1 394.425 1.949 20 0 GDADMM CC[C@@H]1CN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C[C@@H](C)O1 ZINC000330705815 532130303 /nfs/dbraw/zinc/13/03/03/532130303.db2.gz SMLLNKULOPAGRV-ZYHUDNBSSA-N -1 1 380.463 1.385 20 0 GDADMM COCC[C@H]1COCCN1C(=O)c1ccc(I)c([O-])c1 ZINC000330926743 532134730 /nfs/dbraw/zinc/13/47/30/532134730.db2.gz VYDJMWTVABDIIJ-NSHDSACASA-N -1 1 391.205 1.874 20 0 GDADMM O=C([N-]N1CCCNC1=O)c1ccnc(Cl)c1I ZINC000273156389 532137352 /nfs/dbraw/zinc/13/73/52/532137352.db2.gz ZWRWXWWFCJONQH-UHFFFAOYSA-N -1 1 380.573 1.400 20 0 GDADMM CN1C(=S)N=NC1[C@H]1CCCN(C(=O)c2ccc3n[n-]c(=S)n3c2)C1 ZINC000375090107 532146680 /nfs/dbraw/zinc/14/66/80/532146680.db2.gz KPBUYTFKSHYMHF-VIFPVBQESA-N -1 1 375.483 1.455 20 0 GDADMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H]1CCOc2c(Br)cccc21 ZINC000331959701 532157719 /nfs/dbraw/zinc/15/77/19/532157719.db2.gz PCJASSQLPBCFNU-SNVBAGLBSA-N -1 1 388.243 2.130 20 0 GDADMM CN(Cc1ccc(Br)c(F)c1)C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000427556013 532184892 /nfs/dbraw/zinc/18/48/92/532184892.db2.gz NBQHUABEEUTROY-UHFFFAOYSA-N -1 1 380.177 1.591 20 0 GDADMM CCOc1cc(Br)c(F)cc1NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000428014021 532196237 /nfs/dbraw/zinc/19/62/37/532196237.db2.gz LCRNRFCIZPLXEN-UHFFFAOYSA-N -1 1 396.176 1.970 20 0 GDADMM O=C(c1cc(I)ccc1[O-])N1CCN2C(=O)OC[C@H]2C1 ZINC000376202082 532198478 /nfs/dbraw/zinc/19/84/78/532198478.db2.gz YJMBZCDPQAYPNW-SECBINFHSA-N -1 1 388.161 1.273 20 0 GDADMM Cn1nccc1N1CCC[C@@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)C1=O ZINC000332476773 532189135 /nfs/dbraw/zinc/18/91/35/532189135.db2.gz YBVXAUVAOYAKCZ-GFCCVEGCSA-N -1 1 386.836 1.687 20 0 GDADMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000332924575 532212714 /nfs/dbraw/zinc/21/27/14/532212714.db2.gz ZMZJSSJXWZHLKT-OLZOCXBDSA-N -1 1 387.527 1.768 20 0 GDADMM Cc1nc(S(=O)(=O)[N-]C[C@@H](CO)c2ccccc2)c(Br)n1C ZINC000287647434 532230810 /nfs/dbraw/zinc/23/08/10/532230810.db2.gz CEBHMSMOWPWQAZ-LBPRGKRZSA-N -1 1 388.287 1.545 20 0 GDADMM CCOC(=O)[C@H]([N-]S(=O)(=O)C[C@@H]1CCOC1)c1ccc(OC)c(F)c1 ZINC000274663188 532223030 /nfs/dbraw/zinc/22/30/30/532223030.db2.gz HJCMSNJBKXOVOF-IAQYHMDHSA-N -1 1 375.418 1.394 20 0 GDADMM O=C([O-])[C@@H](CN1CCCCC1)NS(=O)(=O)c1ccc(Br)cc1 ZINC000274927495 532243539 /nfs/dbraw/zinc/24/35/39/532243539.db2.gz CJQDSAJSZVWOCG-CYBMUJFWSA-N -1 1 391.287 1.667 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccc(I)c([O-])c2)CC[S@@]1=O ZINC000430342222 532247531 /nfs/dbraw/zinc/24/75/31/532247531.db2.gz HLKMPZBHNBUUTA-HOGDKLEQSA-N -1 1 393.246 1.980 20 0 GDADMM CCO[C@H]1C[C@@]([N-]S(=O)(=O)CCC2CCOCC2)(C(=O)OC)C1(C)C ZINC000431603110 532269926 /nfs/dbraw/zinc/26/99/26/532269926.db2.gz IOBRZQYGSZQFNT-WMLDXEAASA-N -1 1 377.503 1.469 20 0 GDADMM C[C@@]1(C2CCN(C(=O)c3cc(Br)ccc3[O-])CC2)NC(=O)NC1=O ZINC000377968599 532277969 /nfs/dbraw/zinc/27/79/69/532277969.db2.gz STKOSRCSZKCBLN-INIZCTEOSA-N -1 1 396.241 1.605 20 0 GDADMM COC(=O)c1ncsc1S(=O)(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1C ZINC000275281622 532282837 /nfs/dbraw/zinc/28/28/37/532282837.db2.gz RXUZXDDVBWYEGH-LLVKDONJSA-N -1 1 384.435 1.651 20 0 GDADMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2cc(Br)ccn2)o1 ZINC000432307056 532283883 /nfs/dbraw/zinc/28/38/83/532283883.db2.gz OIDSDFWEPOXQES-UHFFFAOYSA-N -1 1 375.200 1.702 20 0 GDADMM CCC1(C)CN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC(F)F)C1 ZINC000349446167 532284729 /nfs/dbraw/zinc/28/47/29/532284729.db2.gz GRCQCCKLHYMKEN-UHFFFAOYSA-N -1 1 382.454 1.651 20 0 GDADMM Cc1nc(S(=O)(=O)[N-][C@H](C)[C@H](O)c2ccccc2)c(Br)n1C ZINC000288360058 532284803 /nfs/dbraw/zinc/28/48/03/532284803.db2.gz IPEKWUAHMSQAHB-SKDRFNHKSA-N -1 1 388.287 1.891 20 0 GDADMM Cn1cc(N2CC[C@@H]([N-]S(=O)(=O)c3c(Cl)ccnc3Cl)C2)cn1 ZINC000378481072 532288052 /nfs/dbraw/zinc/28/80/52/532288052.db2.gz IEFAPYFBMFWEGV-SECBINFHSA-N -1 1 376.269 1.679 20 0 GDADMM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]CC(F)(F)Br ZINC000288580392 532297480 /nfs/dbraw/zinc/29/74/80/532297480.db2.gz LRHKBSCTTZMEKL-UHFFFAOYSA-N -1 1 387.202 1.920 20 0 GDADMM CNS(=O)(=O)c1cc(NS(=O)(=O)c2csc(C(=O)[O-])c2)ccc1C ZINC000391607153 532298889 /nfs/dbraw/zinc/29/88/89/532298889.db2.gz XVGTZFILYWYJSY-UHFFFAOYSA-N -1 1 390.464 1.464 20 0 GDADMM C[C@H]([N-]S(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br)C(F)(F)F ZINC000288714790 532304291 /nfs/dbraw/zinc/30/42/91/532304291.db2.gz YBGOGPQABRWIHC-BYPYZUCNSA-N -1 1 388.165 1.848 20 0 GDADMM O=C([N-]C[C@H]1CCCN(S(=O)(=O)CCc2ccccc2)C1)C(F)(F)F ZINC000289488873 532325875 /nfs/dbraw/zinc/32/58/75/532325875.db2.gz IVGBUQCZMJILDW-CQSZACIVSA-N -1 1 378.416 1.949 20 0 GDADMM CCO[C@@H]1C[C@]([N-]S(=O)(=O)c2cc(F)ccc2F)(C(=O)OC)C1(C)C ZINC000275834837 532311771 /nfs/dbraw/zinc/31/17/71/532311771.db2.gz BOHUWNBFYTUGDH-CJNGLKHVSA-N -1 1 377.409 1.990 20 0 GDADMM CCO[C@H]1C[C@]([N-]S(=O)(=O)c2cccc(F)c2F)(C(=O)OC)C1(C)C ZINC000275962737 532315919 /nfs/dbraw/zinc/31/59/19/532315919.db2.gz MJZLBRBIXNCIHS-LRDDRELGSA-N -1 1 377.409 1.990 20 0 GDADMM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)c2cccnn2)c(OC)c1 ZINC000276435831 532329142 /nfs/dbraw/zinc/32/91/42/532329142.db2.gz IHWCPLVGYLSENU-UHFFFAOYSA-N -1 1 386.455 1.072 20 0 GDADMM O=S(=O)([N-]c1ccc(O[C@@H]2CCOC2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000738343387 598845548 /nfs/dbraw/zinc/84/55/48/598845548.db2.gz YAYXPTXKIHSPNC-OAHLLOKOSA-N -1 1 387.421 1.835 20 0 GDADMM NC(=O)CSCC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000737753194 598846787 /nfs/dbraw/zinc/84/67/87/598846787.db2.gz NNGBVFQCKFNMIG-UHFFFAOYSA-N -1 1 388.478 1.430 20 0 GDADMM Cc1nn(-c2ccccc2)c(COC(=O)COC[C@@H]2CCCO2)c1-c1nn[n-]n1 ZINC000737504463 598848511 /nfs/dbraw/zinc/84/85/11/598848511.db2.gz ZUPGHRQXSSBQQR-HNNXBMFYSA-N -1 1 398.423 1.600 20 0 GDADMM CC1CCN(c2cccc(Nc3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)c2)CC1 ZINC000736279063 598855170 /nfs/dbraw/zinc/85/51/70/598855170.db2.gz KDCPOOUSZCIQOS-UHFFFAOYSA-N -1 1 396.455 1.244 20 0 GDADMM CC(C)C[C@@H]1COCCN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000735795084 598874998 /nfs/dbraw/zinc/87/49/98/598874998.db2.gz KBPFLGMLYSWZQQ-LLVKDONJSA-N -1 1 385.877 1.956 20 0 GDADMM CC(C)C[C@@H]1COCCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000735795084 598875000 /nfs/dbraw/zinc/87/50/00/598875000.db2.gz KBPFLGMLYSWZQQ-LLVKDONJSA-N -1 1 385.877 1.956 20 0 GDADMM CN1CCN(C(=O)c2ccc(Oc3cccc(F)c3-c3nnn[n-]3)cc2)CC1=O ZINC000736857756 598950207 /nfs/dbraw/zinc/95/02/07/598950207.db2.gz TZROPJKXEGNNLT-UHFFFAOYSA-N -1 1 396.382 1.712 20 0 GDADMM CN1CCN(C(=O)c2ccc(Oc3cccc(F)c3-c3nn[n-]n3)cc2)CC1=O ZINC000736857756 598950209 /nfs/dbraw/zinc/95/02/09/598950209.db2.gz TZROPJKXEGNNLT-UHFFFAOYSA-N -1 1 396.382 1.712 20 0 GDADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc(OCCO)cc1 ZINC000737225203 598950538 /nfs/dbraw/zinc/95/05/38/598950538.db2.gz KSVPCBBPGGPPNK-UHFFFAOYSA-N -1 1 375.410 1.347 20 0 GDADMM Cc1cccc(OC[C@@H](O)CNc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000737400356 598962538 /nfs/dbraw/zinc/96/25/38/598962538.db2.gz AIYIWKXXPAOPED-ZDUSSCGKSA-N -1 1 377.408 1.970 20 0 GDADMM Cc1cccc(OC[C@@H](O)CNc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000737400356 598962539 /nfs/dbraw/zinc/96/25/39/598962539.db2.gz AIYIWKXXPAOPED-ZDUSSCGKSA-N -1 1 377.408 1.970 20 0 GDADMM Cc1cnn(C[C@H]2CN(c3c4ccccc4nnc3-c3nnn[n-]3)CCO2)c1 ZINC000737445807 598967497 /nfs/dbraw/zinc/96/74/97/598967497.db2.gz VYMINQLYTMWYTK-CYBMUJFWSA-N -1 1 377.412 1.220 20 0 GDADMM Cc1cnn(C[C@H]2CN(c3c4ccccc4nnc3-c3nn[n-]n3)CCO2)c1 ZINC000737445807 598967499 /nfs/dbraw/zinc/96/74/99/598967499.db2.gz VYMINQLYTMWYTK-CYBMUJFWSA-N -1 1 377.412 1.220 20 0 GDADMM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)cccc1-c1nn[nH]n1 ZINC000822129208 607255748 /nfs/dbraw/zinc/25/57/48/607255748.db2.gz IWBXTCVDGXTZKM-UHFFFAOYSA-N -1 1 384.421 1.262 20 0 GDADMM CCOC(=O)C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc(OC)c1 ZINC000736595237 598994040 /nfs/dbraw/zinc/99/40/40/598994040.db2.gz VZNMDDAHGNGCLW-INIZCTEOSA-N -1 1 396.407 1.695 20 0 GDADMM CCOC(=O)C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc(OC)c1 ZINC000736595237 598994041 /nfs/dbraw/zinc/99/40/41/598994041.db2.gz VZNMDDAHGNGCLW-INIZCTEOSA-N -1 1 396.407 1.695 20 0 GDADMM O=S(=O)(NCc1nc(C(F)(F)F)cs1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344725 599007461 /nfs/dbraw/zinc/00/74/61/599007461.db2.gz GXIWNXJJDCEYPY-UHFFFAOYSA-N -1 1 391.360 1.216 20 0 GDADMM O=S(=O)(NCc1nc(C(F)(F)F)cs1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738344725 599007463 /nfs/dbraw/zinc/00/74/63/599007463.db2.gz GXIWNXJJDCEYPY-UHFFFAOYSA-N -1 1 391.360 1.216 20 0 GDADMM COc1ccccc1N1CC[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000737152719 599028502 /nfs/dbraw/zinc/02/85/02/599028502.db2.gz NYRGNRMECOSCKL-ZDUSSCGKSA-N -1 1 379.424 1.527 20 0 GDADMM COc1ccccc1N1CC[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000737152719 599028504 /nfs/dbraw/zinc/02/85/04/599028504.db2.gz NYRGNRMECOSCKL-ZDUSSCGKSA-N -1 1 379.424 1.527 20 0 GDADMM CN(C(=O)c1ccc(-c2nnn[n-]2)nc1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000736750169 599037707 /nfs/dbraw/zinc/03/77/07/599037707.db2.gz UPVOUKUUYSUGOK-MRXNPFEDSA-N -1 1 377.408 1.529 20 0 GDADMM CN(C(=O)c1ccc(-c2nn[n-]n2)nc1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000736750169 599037710 /nfs/dbraw/zinc/03/77/10/599037710.db2.gz UPVOUKUUYSUGOK-MRXNPFEDSA-N -1 1 377.408 1.529 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCCOC[C@H]1CCCO1 ZINC000737547247 599057314 /nfs/dbraw/zinc/05/73/14/599057314.db2.gz JOIHNQFUZLNNFZ-CYBMUJFWSA-N -1 1 387.396 1.911 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCCOC[C@H]1CCCO1 ZINC000737547247 599057317 /nfs/dbraw/zinc/05/73/17/599057317.db2.gz JOIHNQFUZLNNFZ-CYBMUJFWSA-N -1 1 387.396 1.911 20 0 GDADMM O=[S@](Cc1cccc(Nc2nccnc2-c2nnn[n-]2)c1)C1CCOCC1 ZINC000738356437 599067224 /nfs/dbraw/zinc/06/72/24/599067224.db2.gz BWHLAEGLDDMOIA-HHHXNRCGSA-N -1 1 385.453 1.828 20 0 GDADMM O=[S@](Cc1cccc(Nc2nccnc2-c2nn[n-]n2)c1)C1CCOCC1 ZINC000738356437 599067225 /nfs/dbraw/zinc/06/72/25/599067225.db2.gz BWHLAEGLDDMOIA-HHHXNRCGSA-N -1 1 385.453 1.828 20 0 GDADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc2c(c1)NC(=O)CC2 ZINC000737301362 599098565 /nfs/dbraw/zinc/09/85/65/599098565.db2.gz KQFRFEXAPUESAY-UHFFFAOYSA-N -1 1 384.421 1.861 20 0 GDADMM COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)c1C ZINC000736941764 599131673 /nfs/dbraw/zinc/13/16/73/599131673.db2.gz ULFHJKYBSPQZKV-JTQLQIEISA-N -1 1 398.379 1.421 20 0 GDADMM COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)c1C ZINC000736941764 599131675 /nfs/dbraw/zinc/13/16/75/599131675.db2.gz ULFHJKYBSPQZKV-JTQLQIEISA-N -1 1 398.379 1.421 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000736156423 599134146 /nfs/dbraw/zinc/13/41/46/599134146.db2.gz AYPGNJWEDBSODV-LLVKDONJSA-N -1 1 381.396 1.512 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000736156423 599134148 /nfs/dbraw/zinc/13/41/48/599134148.db2.gz AYPGNJWEDBSODV-LLVKDONJSA-N -1 1 381.396 1.512 20 0 GDADMM O=C(O[C@@H]1CCN(c2ccccc2Cl)C1=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738213161 599135206 /nfs/dbraw/zinc/13/52/06/599135206.db2.gz FXWJIEOGNUOQPQ-CQSZACIVSA-N -1 1 384.783 1.877 20 0 GDADMM O=C(O[C@@H]1CCN(c2ccccc2Cl)C1=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738213161 599135209 /nfs/dbraw/zinc/13/52/09/599135209.db2.gz FXWJIEOGNUOQPQ-CQSZACIVSA-N -1 1 384.783 1.877 20 0 GDADMM COc1cccc(CN(C)C(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737132474 599137049 /nfs/dbraw/zinc/13/70/49/599137049.db2.gz YVDVJOFTTHDVCK-UHFFFAOYSA-N -1 1 382.380 1.086 20 0 GDADMM COc1cccc(CN(C)C(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737132474 599137051 /nfs/dbraw/zinc/13/70/51/599137051.db2.gz YVDVJOFTTHDVCK-UHFFFAOYSA-N -1 1 382.380 1.086 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000736157295 599138223 /nfs/dbraw/zinc/13/82/23/599138223.db2.gz JZKAZSPUDLXPEZ-RISCZKNCSA-N -1 1 394.391 1.447 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000736157295 599138225 /nfs/dbraw/zinc/13/82/25/599138225.db2.gz JZKAZSPUDLXPEZ-RISCZKNCSA-N -1 1 394.391 1.447 20 0 GDADMM C[C@@H](CNC(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000736157688 599138884 /nfs/dbraw/zinc/13/88/84/599138884.db2.gz KWCWIKPKXYOXDN-STQMWFEESA-N -1 1 380.408 1.727 20 0 GDADMM C[C@@H](CNC(=O)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000736157688 599138886 /nfs/dbraw/zinc/13/88/86/599138886.db2.gz KWCWIKPKXYOXDN-STQMWFEESA-N -1 1 380.408 1.727 20 0 GDADMM CCc1cc(NC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)n(C)n1 ZINC000736675919 599163150 /nfs/dbraw/zinc/16/31/50/599163150.db2.gz MWWFKLPHEIJSLS-UHFFFAOYSA-N -1 1 394.443 1.393 20 0 GDADMM CCc1cc(NC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)n(C)n1 ZINC000736675919 599163153 /nfs/dbraw/zinc/16/31/53/599163153.db2.gz MWWFKLPHEIJSLS-UHFFFAOYSA-N -1 1 394.443 1.393 20 0 GDADMM Cc1nn(-c2ccc(-c3nn[nH]n3)cc2)c(=NC(=O)c2cccc(C)c2O)[n-]1 ZINC000737482148 599201459 /nfs/dbraw/zinc/20/14/59/599201459.db2.gz KEEIOFSZDVQWMV-UHFFFAOYSA-N -1 1 376.380 1.444 20 0 GDADMM CCc1nncn1CCNC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000821552960 599204208 /nfs/dbraw/zinc/20/42/08/599204208.db2.gz CMBOKEGQOWPLIH-UHFFFAOYSA-N -1 1 381.400 1.143 20 0 GDADMM CCc1nncn1CCNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000821552960 599204209 /nfs/dbraw/zinc/20/42/09/599204209.db2.gz CMBOKEGQOWPLIH-UHFFFAOYSA-N -1 1 381.400 1.143 20 0 GDADMM COC(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1C(=O)OC ZINC000821669639 599214992 /nfs/dbraw/zinc/21/49/92/599214992.db2.gz VUDBMYSDIKBTBE-UHFFFAOYSA-N -1 1 382.336 1.087 20 0 GDADMM COC(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1C(=O)OC ZINC000821669639 599214995 /nfs/dbraw/zinc/21/49/95/599214995.db2.gz VUDBMYSDIKBTBE-UHFFFAOYSA-N -1 1 382.336 1.087 20 0 GDADMM O=C([O-])C1CCN(CC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)CC1 ZINC000740368765 596918112 /nfs/dbraw/zinc/91/81/12/596918112.db2.gz KYUMFIWMBCMMPB-UHFFFAOYSA-N -1 1 379.501 1.471 20 0 GDADMM CN1CCN(c2ccccc2NC(=O)C(=O)N2CCC[C@H](CC(=O)[O-])C2)CC1 ZINC000818482192 597113240 /nfs/dbraw/zinc/11/32/40/597113240.db2.gz LSLIEFAJIGUJBK-OAHLLOKOSA-N -1 1 388.468 1.090 20 0 GDADMM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)CCN1CCN(c2ccccn2)CC1 ZINC000156198911 597173173 /nfs/dbraw/zinc/17/31/73/597173173.db2.gz MBMBLKBEBLTPOS-GOSISDBHSA-N -1 1 382.464 1.406 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCCC[C@H]2CCCC[C@H]2O)cc1-c1nn[n-]n1 ZINC000821978351 607324747 /nfs/dbraw/zinc/32/47/47/607324747.db2.gz LUESGEKVMBUITA-ZWNOBZJWSA-N -1 1 392.485 1.750 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000822535259 607324214 /nfs/dbraw/zinc/32/42/14/607324214.db2.gz LGKSPZPCGWHPJB-CQSZACIVSA-N -1 1 397.439 1.106 20 0 GDADMM COc1ccnc(N2CCN(C(=O)C(=O)Nc3ccccc3C(=O)[O-])CC2)c1 ZINC000422583096 598174139 /nfs/dbraw/zinc/17/41/39/598174139.db2.gz WHZMSBKMRHJBTA-UHFFFAOYSA-N -1 1 384.392 1.076 20 0 GDADMM CCn1cc(C(=O)N(CCN(C)C)CC(=O)[O-])c(=O)c2cc(Cl)ccc21 ZINC000820511439 598200975 /nfs/dbraw/zinc/20/09/75/598200975.db2.gz LWUBGCFTSYGQSE-UHFFFAOYSA-N -1 1 379.844 1.763 20 0 GDADMM COc1ccc(CN(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1F ZINC000737090599 598261398 /nfs/dbraw/zinc/26/13/98/598261398.db2.gz KFXLOIMGFPDCCW-UHFFFAOYSA-N -1 1 378.389 1.230 20 0 GDADMM COc1ccc(CN(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1F ZINC000737090599 598261399 /nfs/dbraw/zinc/26/13/99/598261399.db2.gz KFXLOIMGFPDCCW-UHFFFAOYSA-N -1 1 378.389 1.230 20 0 GDADMM COc1ccc([C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C2CC2)cc1 ZINC000737073960 598262590 /nfs/dbraw/zinc/26/25/90/598262590.db2.gz GRTLCXRIBRKMSI-MRXNPFEDSA-N -1 1 386.437 1.700 20 0 GDADMM COc1ccc([C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C2CC2)cc1 ZINC000737073960 598262592 /nfs/dbraw/zinc/26/25/92/598262592.db2.gz GRTLCXRIBRKMSI-MRXNPFEDSA-N -1 1 386.437 1.700 20 0 GDADMM O=S(=O)(NCCc1cccc2ccccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000738338124 598266202 /nfs/dbraw/zinc/26/62/02/598266202.db2.gz KFPQMRZXKQAZOR-UHFFFAOYSA-N -1 1 380.433 1.936 20 0 GDADMM O=S(=O)(NCCc1cccc2ccccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000738338124 598266204 /nfs/dbraw/zinc/26/62/04/598266204.db2.gz KFPQMRZXKQAZOR-UHFFFAOYSA-N -1 1 380.433 1.936 20 0 GDADMM Cc1nn(Cc2cc(F)ccc2Br)c(=O)c(-c2nn[n-]n2)c1C ZINC000737521570 598277844 /nfs/dbraw/zinc/27/78/44/598277844.db2.gz JIBQHTXDEXGWOX-UHFFFAOYSA-N -1 1 379.193 1.990 20 0 GDADMM Cc1nn(-c2ccccc2)c(COC(=O)Cc2cnn(C)c2)c1-c1nn[n-]n1 ZINC000737504117 598289858 /nfs/dbraw/zinc/28/98/58/598289858.db2.gz PBFPCOUJRJIKIK-UHFFFAOYSA-N -1 1 378.396 1.380 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000737201423 598331960 /nfs/dbraw/zinc/33/19/60/598331960.db2.gz RZHLENUVPCLLFD-ZDUSSCGKSA-N -1 1 396.455 1.646 20 0 GDADMM CC(C)(C)c1nc(CN2CCN(c3nccnc3-c3nnn[n-]3)CC2)cs1 ZINC000735655708 598344923 /nfs/dbraw/zinc/34/49/23/598344923.db2.gz CNPTYCMFYCOTKH-UHFFFAOYSA-N -1 1 385.501 1.733 20 0 GDADMM CC(C)(C)c1nc(CN2CCN(c3nccnc3-c3nn[n-]n3)CC2)cs1 ZINC000735655708 598344927 /nfs/dbraw/zinc/34/49/27/598344927.db2.gz CNPTYCMFYCOTKH-UHFFFAOYSA-N -1 1 385.501 1.733 20 0 GDADMM CC[C@H](Sc1nc(-c2ccc(OC)cc2)c(-c2nn[n-]n2)c(=O)[nH]1)C(N)=O ZINC000736393449 598378141 /nfs/dbraw/zinc/37/81/41/598378141.db2.gz YWKCXZHQZDZTFD-JTQLQIEISA-N -1 1 387.425 1.394 20 0 GDADMM CCc1nn(Cc2cc3c(c(Cl)c2)OCO3)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736708736 598378349 /nfs/dbraw/zinc/37/83/49/598378349.db2.gz ZMZZONPNJVVXRV-UHFFFAOYSA-N -1 1 388.815 1.979 20 0 GDADMM CCC(=O)c1cccc(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000820843218 607356002 /nfs/dbraw/zinc/35/60/02/607356002.db2.gz VNCXWGZWOZBTFZ-UHFFFAOYSA-N -1 1 383.416 1.519 20 0 GDADMM CCC(=O)c1cccc(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000820843218 607356003 /nfs/dbraw/zinc/35/60/03/607356003.db2.gz VNCXWGZWOZBTFZ-UHFFFAOYSA-N -1 1 383.416 1.519 20 0 GDADMM Cc1nc(CN2CCC[C@H](N(C)c3snc(Cl)c3-c3nnn[n-]3)C2)no1 ZINC000737478383 598544995 /nfs/dbraw/zinc/54/49/95/598544995.db2.gz RSADWVMOIYBPQE-VIFPVBQESA-N -1 1 395.880 1.769 20 0 GDADMM Cc1nc(CN2CCC[C@H](N(C)c3snc(Cl)c3-c3nn[n-]n3)C2)no1 ZINC000737478383 598544996 /nfs/dbraw/zinc/54/49/96/598544996.db2.gz RSADWVMOIYBPQE-VIFPVBQESA-N -1 1 395.880 1.769 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCCC(=O)NC(C)(C)C ZINC000737549706 598550037 /nfs/dbraw/zinc/55/00/37/598550037.db2.gz XPHTYBYKMSKRBX-UHFFFAOYSA-N -1 1 385.428 1.593 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCC(=O)NC(C)(C)C ZINC000737549706 598550038 /nfs/dbraw/zinc/55/00/38/598550038.db2.gz XPHTYBYKMSKRBX-UHFFFAOYSA-N -1 1 385.428 1.593 20 0 GDADMM COc1ccc(C2=NC(=Cc3cnc4c(-c5nnn[n-]5)cnn4c3)C(=O)O2)cc1 ZINC000737076259 598566725 /nfs/dbraw/zinc/56/67/25/598566725.db2.gz NVNVUWMBSRVJAD-MKMNVTDBSA-N -1 1 388.347 1.263 20 0 GDADMM COc1ccc(C2=NC(=Cc3cnc4c(-c5nn[n-]n5)cnn4c3)C(=O)O2)cc1 ZINC000737076259 598566727 /nfs/dbraw/zinc/56/67/27/598566727.db2.gz NVNVUWMBSRVJAD-MKMNVTDBSA-N -1 1 388.347 1.263 20 0 GDADMM CCc1nn(CC(=O)Nc2ccc3c(c2)CCC3)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706880 598642592 /nfs/dbraw/zinc/64/25/92/598642592.db2.gz ZLJBGWGNKPPHJT-UHFFFAOYSA-N -1 1 393.451 1.676 20 0 GDADMM CCc1nn(CC(=O)N(C)[C@H]2CCCC[C@H]2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706385 598643283 /nfs/dbraw/zinc/64/32/83/598643283.db2.gz VURKRYLIDUPQKB-DOMZBBRYSA-N -1 1 387.488 1.585 20 0 GDADMM O=c1c(-c2nn[n-]n2)cccn1Cc1cc2c(cc1Br)OCCO2 ZINC000738370268 598676612 /nfs/dbraw/zinc/67/66/12/598676612.db2.gz AIMTXKMVJTXZSW-UHFFFAOYSA-N -1 1 390.197 1.610 20 0 GDADMM CNC(=O)c1cccc(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000736881295 598690171 /nfs/dbraw/zinc/69/01/71/598690171.db2.gz FPSAKWZRGFHYHU-UHFFFAOYSA-N -1 1 377.357 1.133 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)N(C)CCn2cccn2)c1-c1nn[n-]n1 ZINC000737188769 598695934 /nfs/dbraw/zinc/69/59/34/598695934.db2.gz GMCCIPUIHGAIAM-UHFFFAOYSA-N -1 1 384.469 1.830 20 0 GDADMM Cc1oc(NC(=O)CN2CCC[C@H](N3CCCC3=O)C2)c(-c2nn[n-]n2)c1C ZINC000737554000 598707825 /nfs/dbraw/zinc/70/78/25/598707825.db2.gz YVZQXKBFNPQDLH-ZDUSSCGKSA-N -1 1 387.444 1.102 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@@H](C)C(=O)Nc2ccccc2)cc1-c1nn[n-]n1 ZINC000737187795 598750989 /nfs/dbraw/zinc/75/09/89/598750989.db2.gz VIZKWJKQDNWPQE-VIFPVBQESA-N -1 1 399.436 1.446 20 0 GDADMM Cc1ccccc1[C@@H](O)CNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000737424899 598780497 /nfs/dbraw/zinc/78/04/97/598780497.db2.gz ZBVKIXBLUNYNPO-INIZCTEOSA-N -1 1 396.451 1.675 20 0 GDADMM Cc1noc(NC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)c1C ZINC000737544986 599303742 /nfs/dbraw/zinc/30/37/42/599303742.db2.gz DBMSORZQCPRHQY-UHFFFAOYSA-N -1 1 381.400 1.702 20 0 GDADMM Cc1noc(NC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)c1C ZINC000737544986 599303744 /nfs/dbraw/zinc/30/37/44/599303744.db2.gz DBMSORZQCPRHQY-UHFFFAOYSA-N -1 1 381.400 1.702 20 0 GDADMM O=C([O-])c1c(F)cc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)cc1F ZINC000738215905 599317815 /nfs/dbraw/zinc/31/78/15/599317815.db2.gz SPBVHOILPOGZTH-UHFFFAOYSA-N -1 1 381.320 1.644 20 0 GDADMM CCCN(C[C@@H]1CCCCO1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000821095154 599342084 /nfs/dbraw/zinc/34/20/84/599342084.db2.gz YZKCEGZXBBJKKC-LBPRGKRZSA-N -1 1 383.449 1.976 20 0 GDADMM CCCN(C[C@@H]1CCCCO1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000821095154 599342087 /nfs/dbraw/zinc/34/20/87/599342087.db2.gz YZKCEGZXBBJKKC-LBPRGKRZSA-N -1 1 383.449 1.976 20 0 GDADMM COc1ccccc1[C@]1(C)C[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821882819 599349881 /nfs/dbraw/zinc/34/98/81/599349881.db2.gz LMIMZBUHKCWPOZ-RDJZCZTQSA-N -1 1 386.437 1.279 20 0 GDADMM COc1ccccc1[C@]1(C)C[C@@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821882819 599349884 /nfs/dbraw/zinc/34/98/84/599349884.db2.gz LMIMZBUHKCWPOZ-RDJZCZTQSA-N -1 1 386.437 1.279 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCc2sc(C)nc2C)cc1-c1nn[n-]n1 ZINC000821979594 599456242 /nfs/dbraw/zinc/45/62/42/599456242.db2.gz UCHRCJAVCNRMIV-UHFFFAOYSA-N -1 1 377.455 1.693 20 0 GDADMM CSCCNC(=O)C(=O)Nc1ccccc1Oc1ncccc1-c1nn[n-]n1 ZINC000737182890 599511827 /nfs/dbraw/zinc/51/18/27/599511827.db2.gz WKQCDKILJJPMLY-UHFFFAOYSA-N -1 1 399.436 1.472 20 0 GDADMM CC[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccc(F)cc1F ZINC000736371624 599528613 /nfs/dbraw/zinc/52/86/13/599528613.db2.gz XRHPKRFJFRYULR-NSHDSACASA-N -1 1 377.355 1.106 20 0 GDADMM Cc1noc([C@@H](C)N2CCN(c3cc(-c4nn[n-]n4)nc4ccccc43)CC2)n1 ZINC000822519765 599534777 /nfs/dbraw/zinc/53/47/77/599534777.db2.gz LASOOVMAUBUYOY-GFCCVEGCSA-N -1 1 391.439 1.990 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)Nc2ccc3c(c2)ncn3C)cc1-c1nn[n-]n1 ZINC000821979104 599555888 /nfs/dbraw/zinc/55/58/88/599555888.db2.gz PLAHYOHBVYHIIG-UHFFFAOYSA-N -1 1 382.409 1.828 20 0 GDADMM O=C(Nc1cccnc1N1CCC(CO)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738196081 599605020 /nfs/dbraw/zinc/60/50/20/599605020.db2.gz MIMFXHVYGSFRMZ-UHFFFAOYSA-N -1 1 380.412 1.118 20 0 GDADMM O=C(Nc1cccnc1N1CCC(CO)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738196081 599605022 /nfs/dbraw/zinc/60/50/22/599605022.db2.gz MIMFXHVYGSFRMZ-UHFFFAOYSA-N -1 1 380.412 1.118 20 0 GDADMM CCN(CC)C(=O)CN(C)[C@H](C)C(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000821175872 599635355 /nfs/dbraw/zinc/63/53/55/599635355.db2.gz XSRZRXXYBIDBCU-LLVKDONJSA-N -1 1 377.449 1.204 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCC(F)(F)C(F)F ZINC000822010301 599651122 /nfs/dbraw/zinc/65/11/22/599651122.db2.gz WZKFUZJMVKTPTK-UHFFFAOYSA-N -1 1 377.298 1.960 20 0 GDADMM CC(C)CO[C@H](C)c1noc(CN(C)C(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC000820098458 599654083 /nfs/dbraw/zinc/65/40/83/599654083.db2.gz ZHYBLVXVVXQRCH-LLVKDONJSA-N -1 1 386.416 1.651 20 0 GDADMM CC(C)CO[C@H](C)c1noc(CN(C)C(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC000820098458 599654084 /nfs/dbraw/zinc/65/40/84/599654084.db2.gz ZHYBLVXVVXQRCH-LLVKDONJSA-N -1 1 386.416 1.651 20 0 GDADMM C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C[C@@H](C(F)(F)F)O1 ZINC000820768755 599683032 /nfs/dbraw/zinc/68/30/32/599683032.db2.gz PFLKCIMFEWHJKO-HQJQHLMTSA-N -1 1 395.338 1.346 20 0 GDADMM CC[C@H](C)[C@H](NC(=O)c1ccc(-n2[nH]c(CC(=O)OC)cc2=O)cc1)C(=O)[O-] ZINC000737235839 599743929 /nfs/dbraw/zinc/74/39/29/599743929.db2.gz FMMSDWJZEGIBGQ-GTNSWQLSSA-N -1 1 389.408 1.110 20 0 GDADMM CCN(CC(=O)NCc1cccs1)C(=O)CN1CCCC[C@H]1CC(=O)[O-] ZINC000650504267 599754756 /nfs/dbraw/zinc/75/47/56/599754756.db2.gz FVLFHXWNPJTLIM-AWEZNQCLSA-N -1 1 381.498 1.542 20 0 GDADMM COC(=O)c1sc(NC(=O)CN(C)C[C@H]2CCCOC2)c(C(=O)[O-])c1C ZINC000737718750 599764047 /nfs/dbraw/zinc/76/40/47/599764047.db2.gz INPQSAVYXMPSEK-LLVKDONJSA-N -1 1 384.454 1.838 20 0 GDADMM C[N@H+](CCNC(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1)C1CCCC1 ZINC000737444281 599775340 /nfs/dbraw/zinc/77/53/40/599775340.db2.gz YXKGUEPSJJRCFZ-UHFFFAOYSA-N -1 1 386.452 1.397 20 0 GDADMM C[N@@H+](CCNC(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1)C1CCCC1 ZINC000737444281 599775342 /nfs/dbraw/zinc/77/53/42/599775342.db2.gz YXKGUEPSJJRCFZ-UHFFFAOYSA-N -1 1 386.452 1.397 20 0 GDADMM CCOc1cc2c(cc1C=CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-])O[C@H](C)C2 ZINC000737195536 599778589 /nfs/dbraw/zinc/77/85/89/599778589.db2.gz UNLZQNZAOSXECK-MCDCMRCESA-N -1 1 385.420 1.957 20 0 GDADMM CS(=O)(=O)Nc1ccc(S(=O)(=O)Oc2ccsc2C(=O)[O-])c(F)c1 ZINC000738163411 599801342 /nfs/dbraw/zinc/80/13/42/599801342.db2.gz COOYYCBRUQAHJM-UHFFFAOYSA-N -1 1 395.411 1.725 20 0 GDADMM COC(=O)[C@H](NS(=O)(=O)Cc1ccc(C(=O)[O-])cc1)c1cc(F)ccc1F ZINC000737577913 599814306 /nfs/dbraw/zinc/81/43/06/599814306.db2.gz LRHVLSUWLUWJTN-OAHLLOKOSA-N -1 1 399.371 1.997 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc(NC(N)=O)cc2)c(C(=O)[O-])s1 ZINC000737681912 599814336 /nfs/dbraw/zinc/81/43/36/599814336.db2.gz WIDJNSMYYMMRQD-UHFFFAOYSA-N -1 1 399.406 1.524 20 0 GDADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1ccccc1OCCC(N)=O ZINC000477429488 599906233 /nfs/dbraw/zinc/90/62/33/599906233.db2.gz BZZXPEUIPJVTBT-UHFFFAOYSA-N -1 1 378.406 1.748 20 0 GDADMM COc1ccnc(N2CCN(C(=O)C(=O)Nc3cccc(C(=O)[O-])c3C)CC2)c1 ZINC000738143189 599906896 /nfs/dbraw/zinc/90/68/96/599906896.db2.gz LTHFZUWJMWSCCD-UHFFFAOYSA-N -1 1 398.419 1.384 20 0 GDADMM O=C([O-])[C@H]1CN(C(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)CCO1 ZINC000738546762 600035184 /nfs/dbraw/zinc/03/51/84/600035184.db2.gz OAUGTCWIRLTWLF-HZPDHXFCSA-N -1 1 381.860 1.972 20 0 GDADMM CC(C)N1CCO[C@H](CN2CCN(C(=O)c3cccc(C(=O)[O-])c3)CC2)C1 ZINC000583564550 600116942 /nfs/dbraw/zinc/11/69/42/600116942.db2.gz VTXQQAQKCUCUEN-GOSISDBHSA-N -1 1 375.469 1.252 20 0 GDADMM CN1CCC[C@@H](NC(=O)C(=O)Nc2cccc(CSCCC(=O)[O-])c2)C1 ZINC000737524072 600127509 /nfs/dbraw/zinc/12/75/09/600127509.db2.gz VUOVYXFKPZPXCM-OAHLLOKOSA-N -1 1 379.482 1.543 20 0 GDADMM CN(C)C(=O)Nc1ccc(C(=O)n2ncc(-c3nn[n-]n3)c2N)c(Cl)c1 ZINC000821577913 607424616 /nfs/dbraw/zinc/42/46/16/607424616.db2.gz DHUCJUUILFGUAS-UHFFFAOYSA-N -1 1 375.780 1.081 20 0 GDADMM O=C([O-])C1(NCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)CCCCC1 ZINC000739308713 600149739 /nfs/dbraw/zinc/14/97/39/600149739.db2.gz VPSVFORFIUTXJR-OAHLLOKOSA-N -1 1 386.514 1.322 20 0 GDADMM CS(=O)(=O)Nc1cc2ccccc2cc1C(=O)Nc1n[nH]c(CC(=O)[O-])n1 ZINC000738164642 600183920 /nfs/dbraw/zinc/18/39/20/600183920.db2.gz WHPFWVXFVYPYHD-UHFFFAOYSA-N -1 1 389.393 1.209 20 0 GDADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000738228837 600195276 /nfs/dbraw/zinc/19/52/76/600195276.db2.gz CIKPZYUGJNDQGH-MRXNPFEDSA-N -1 1 393.403 1.774 20 0 GDADMM CC1CCC(N2CCN(C(=O)C(=O)Nc3ccc(CC(=O)[O-])cc3)CC2)CC1 ZINC000736767374 600201665 /nfs/dbraw/zinc/20/16/65/600201665.db2.gz CCPBESTZIDRMOX-UHFFFAOYSA-N -1 1 387.480 1.975 20 0 GDADMM COCCOc1ccc(CNC(=O)CN2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000737827867 600291026 /nfs/dbraw/zinc/29/10/26/600291026.db2.gz APCFXYMUANADJP-QGZVFWFLSA-N -1 1 376.453 1.515 20 0 GDADMM O=C([O-])[C@@H]1CC12CCN(CC(=O)NC(=O)Nc1ccc3c(c1)OCCO3)CC2 ZINC000739277669 600297241 /nfs/dbraw/zinc/29/72/41/600297241.db2.gz FPMJKYGLJFONKC-ZDUSSCGKSA-N -1 1 389.408 1.293 20 0 GDADMM CNC(=O)c1cc(S(=O)(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)cn1C ZINC000737544518 600300399 /nfs/dbraw/zinc/30/03/99/600300399.db2.gz LSVVACXNKYNVSN-UHFFFAOYSA-N -1 1 380.426 1.295 20 0 GDADMM O=C([O-])c1cc(Cl)cc(NC(=O)C(=O)NCCCCN2CCOCC2)c1 ZINC000739415601 600303175 /nfs/dbraw/zinc/30/31/75/600303175.db2.gz MWNDBWGOKKPKQZ-UHFFFAOYSA-N -1 1 383.832 1.205 20 0 GDADMM COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000737587761 600332160 /nfs/dbraw/zinc/33/21/60/600332160.db2.gz TYQMSOYNXRULJD-SJORKVTESA-N -1 1 386.448 1.300 20 0 GDADMM C[C@@H](CN(C)CC(=O)NCC(=O)Nc1ccccc1Br)C(=O)[O-] ZINC000736571141 600375187 /nfs/dbraw/zinc/37/51/87/600375187.db2.gz IWEZOMPITXKUAI-JTQLQIEISA-N -1 1 386.246 1.156 20 0 GDADMM C[C@@H](CN1CCN(C)CC1)NC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000736586705 600404420 /nfs/dbraw/zinc/40/44/20/600404420.db2.gz PDJBRJULVBQVHZ-NSHDSACASA-N -1 1 386.399 1.744 20 0 GDADMM COc1ccc(CN2CCCN(C(=O)CN3CCC[C@@H]3C(=O)[O-])CC2)cc1 ZINC000263580117 600437530 /nfs/dbraw/zinc/43/75/30/600437530.db2.gz VNWZCEUREDJTAC-GOSISDBHSA-N -1 1 375.469 1.279 20 0 GDADMM COCCN(CCc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3)CC(=O)[O-] ZINC000737799022 600446610 /nfs/dbraw/zinc/44/66/10/600446610.db2.gz HXCLKJYTQXZWHC-LLVKDONJSA-N -1 1 378.498 1.974 20 0 GDADMM CNC(=O)C1(NCC2=C(C(=O)[O-])[C@H](c3ccccc3)NC(=O)N2C)CCCC1 ZINC000737536331 600447675 /nfs/dbraw/zinc/44/76/75/600447675.db2.gz WMAOPSKRILXNJM-INIZCTEOSA-N -1 1 386.452 1.370 20 0 GDADMM CC[C@@](NC(=O)c1ccnc(N2CCN(C)CC2)c1)(C(=O)[O-])c1ccccc1 ZINC000736920098 600494009 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604003660 /nfs/dbraw/zinc/00/36/60/604003660.db2.gz SDNYWVGRDZVXDR-LBPRGKRZSA-N -1 1 382.465 1.575 20 0 GDADMM O=C([O-])NC[C@H]1CCCC[C@@H]1NC(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000832500839 604006345 /nfs/dbraw/zinc/00/63/45/604006345.db2.gz YULDUTIPFGIPCU-YPMHNXCESA-N -1 1 390.465 1.628 20 0 GDADMM Cn1ccc(N2CCC[C@H](N3CCC[C@@H]([C@H]4CCCN4C(=O)[O-])C3)C2=O)n1 ZINC000831018487 604037105 /nfs/dbraw/zinc/03/71/05/604037105.db2.gz JTXXXTUWIIIQTP-OAGGEKHMSA-N -1 1 375.473 1.770 20 0 GDADMM C[C@H](CCCO)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824400327 607668818 /nfs/dbraw/zinc/66/88/18/607668818.db2.gz FJACQNJHJAXTEL-MRVPVSSYSA-N -1 1 379.364 1.325 20 0 GDADMM COC(=O)[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)C1CCCCC1 ZINC000826112139 607669659 /nfs/dbraw/zinc/66/96/59/607669659.db2.gz SXMYURMJZGXFBI-CQSZACIVSA-N -1 1 397.432 1.406 20 0 GDADMM C[C@@H](C[C@H](O)c1ccccc1)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824393265 607670256 /nfs/dbraw/zinc/67/02/56/607670256.db2.gz 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605880045 /nfs/dbraw/zinc/88/00/45/605880045.db2.gz COVXQGQLNLLYDK-GHMZBOCLSA-N -1 1 378.385 1.041 20 0 GDADMM O=C([O-])N1CCC2(CCN(CC(=O)NCCOc3ccc(F)cc3)C2)CC1 ZINC000834008448 605897098 /nfs/dbraw/zinc/89/70/98/605897098.db2.gz ZODIHZNXFHGTJF-UHFFFAOYSA-N -1 1 379.432 1.787 20 0 GDADMM COc1ccc(-c2n[nH]c(CNC(=O)C[C@H]3CSCCN3C(=O)[O-])n2)cc1 ZINC000829243223 605899501 /nfs/dbraw/zinc/89/95/01/605899501.db2.gz LWWHNKZSCLUWSY-LBPRGKRZSA-N -1 1 391.453 1.582 20 0 GDADMM COc1ccc(-c2nc(CNC(=O)C[C@H]3CSCCN3C(=O)[O-])n[nH]2)cc1 ZINC000829243223 605899505 /nfs/dbraw/zinc/89/95/05/605899505.db2.gz LWWHNKZSCLUWSY-LBPRGKRZSA-N -1 1 391.453 1.582 20 0 GDADMM O=C([O-])N(CCNC(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)C1CC1 ZINC000834042514 605933013 /nfs/dbraw/zinc/93/30/13/605933013.db2.gz XCLRRCDLTNSCDM-UHFFFAOYSA-N -1 1 381.339 1.698 20 0 GDADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)C3(O)CCSCC3)cc2)n1 ZINC000834247747 605966181 /nfs/dbraw/zinc/96/61/81/605966181.db2.gz WBZNSWKZTGMWML-UHFFFAOYSA-N -1 1 377.426 1.436 20 0 GDADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)C3(O)CCSCC3)cc2)n[nH]1 ZINC000834247747 605966183 /nfs/dbraw/zinc/96/61/83/605966183.db2.gz WBZNSWKZTGMWML-UHFFFAOYSA-N -1 1 377.426 1.436 20 0 GDADMM COC1CCC(CNC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)CC1 ZINC000821679611 606116873 /nfs/dbraw/zinc/11/68/73/606116873.db2.gz FDRKENYINSKHFI-UHFFFAOYSA-N -1 1 388.472 1.838 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)NCC1(c2ccccc2)CC1 ZINC000823027087 606138141 /nfs/dbraw/zinc/13/81/41/606138141.db2.gz LGGQNMHJAKINRG-UHFFFAOYSA-N -1 1 383.433 1.933 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)NCC1(c2ccccc2)CC1 ZINC000823027087 606138142 /nfs/dbraw/zinc/13/81/42/606138142.db2.gz LGGQNMHJAKINRG-UHFFFAOYSA-N -1 1 383.433 1.933 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)n1 ZINC000822605130 606157290 /nfs/dbraw/zinc/15/72/90/606157290.db2.gz ZZKQWGDBRRCBMW-UHFFFAOYSA-N -1 1 390.411 1.798 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)n1 ZINC000822605130 606157294 /nfs/dbraw/zinc/15/72/94/606157294.db2.gz ZZKQWGDBRRCBMW-UHFFFAOYSA-N -1 1 390.411 1.798 20 0 GDADMM COC(=O)C=Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000747612704 606162818 /nfs/dbraw/zinc/16/28/18/606162818.db2.gz SKRWPHAUKSGXIS-WCIBSUBMSA-N -1 1 385.405 1.854 20 0 GDADMM CCN(Cc1ccc(OC)cc1OC)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821220407 606163580 /nfs/dbraw/zinc/16/35/80/606163580.db2.gz AFTHMJFXNZFGCE-UHFFFAOYSA-N -1 1 386.416 1.671 20 0 GDADMM CCN(Cc1ccc(OC)cc1OC)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821220407 606163581 /nfs/dbraw/zinc/16/35/81/606163581.db2.gz AFTHMJFXNZFGCE-UHFFFAOYSA-N -1 1 386.416 1.671 20 0 GDADMM C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000820563988 606164837 /nfs/dbraw/zinc/16/48/37/606164837.db2.gz XBBHWFFIAULRNE-BLBHWQHRSA-N -1 1 388.457 1.563 20 0 GDADMM C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000820563988 606164839 /nfs/dbraw/zinc/16/48/39/606164839.db2.gz XBBHWFFIAULRNE-BLBHWQHRSA-N -1 1 388.457 1.563 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCC(C)(C)c2ccc3c(c2)OCCO3)n1 ZINC000822614073 606167503 /nfs/dbraw/zinc/16/75/03/606167503.db2.gz KDICMAYBBGLJHU-UHFFFAOYSA-N -1 1 398.427 1.471 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCC(C)(C)c2ccc3c(c2)OCCO3)n1 ZINC000822614073 606167506 /nfs/dbraw/zinc/16/75/06/606167506.db2.gz KDICMAYBBGLJHU-UHFFFAOYSA-N -1 1 398.427 1.471 20 0 GDADMM O=C(OCCN1CCN(C(=O)C2CCC2)CC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823405005 606180992 /nfs/dbraw/zinc/18/09/92/606180992.db2.gz GKJFNWHBGZNEFI-UHFFFAOYSA-N -1 1 390.469 1.029 20 0 GDADMM O=C(OCCN1CCN(C(=O)C2CCC2)CC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823405005 606180993 /nfs/dbraw/zinc/18/09/93/606180993.db2.gz GKJFNWHBGZNEFI-UHFFFAOYSA-N -1 1 390.469 1.029 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)O[C@@H](C)[C@@H]1CCOC1 ZINC000822459833 606182359 /nfs/dbraw/zinc/18/23/59/606182359.db2.gz YHSDZGRURUVBMD-QWHCGFSZSA-N -1 1 385.428 1.427 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)O[C@@H](C)[C@@H]1CCOC1 ZINC000822459833 606182360 /nfs/dbraw/zinc/18/23/60/606182360.db2.gz YHSDZGRURUVBMD-QWHCGFSZSA-N -1 1 385.428 1.427 20 0 GDADMM Cc1ncoc1C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000822482259 606193176 /nfs/dbraw/zinc/19/31/76/606193176.db2.gz NQXKAZKPSJEWOR-UHFFFAOYSA-N -1 1 394.351 1.144 20 0 GDADMM Cc1ncoc1C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000822482259 606193177 /nfs/dbraw/zinc/19/31/77/606193177.db2.gz NQXKAZKPSJEWOR-UHFFFAOYSA-N -1 1 394.351 1.144 20 0 GDADMM C[C@H]1Oc2ccccc2N(CCC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])C1=O ZINC000820820782 606195077 /nfs/dbraw/zinc/19/50/77/606195077.db2.gz QFJRXUVGNFIBGA-LLVKDONJSA-N -1 1 394.391 1.715 20 0 GDADMM O=C(NCCc1nc(-c2ccncc2)cs1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823224325 606268610 /nfs/dbraw/zinc/26/86/10/606268610.db2.gz YEANBVFHTBXVJN-UHFFFAOYSA-N -1 1 378.421 1.753 20 0 GDADMM O=C(NCCc1nc(-c2ccncc2)cs1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823224325 606268611 /nfs/dbraw/zinc/26/86/11/606268611.db2.gz YEANBVFHTBXVJN-UHFFFAOYSA-N -1 1 378.421 1.753 20 0 GDADMM CN(C)S(=O)(=O)c1cccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1 ZINC000821588352 606295256 /nfs/dbraw/zinc/29/52/56/606295256.db2.gz OAPGQJDOVDSPDZ-UHFFFAOYSA-N -1 1 388.409 1.075 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000823294441 606295900 /nfs/dbraw/zinc/29/59/00/606295900.db2.gz AKVRFBGVVKKRGA-CYBMUJFWSA-N -1 1 382.355 1.703 20 0 GDADMM CCCCO[C@H]1C[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1(C)C ZINC000821071420 606403764 /nfs/dbraw/zinc/40/37/64/606403764.db2.gz DMXFEMAPXVCSPX-KBPBESRZSA-N -1 1 380.474 1.524 20 0 GDADMM CCCCO[C@H]1C[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1(C)C ZINC000821071420 606403766 /nfs/dbraw/zinc/40/37/66/606403766.db2.gz DMXFEMAPXVCSPX-KBPBESRZSA-N -1 1 380.474 1.524 20 0 GDADMM C[S@](=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000821940993 606436888 /nfs/dbraw/zinc/43/68/88/606436888.db2.gz AZDXGCVZZFHEIX-VWLOTQADSA-N -1 1 395.441 1.222 20 0 GDADMM CC1CC(NC(=O)C(=O)Nc2ccccc2Oc2ncccc2-c2nn[n-]n2)C1 ZINC000820655214 606456414 /nfs/dbraw/zinc/45/64/14/606456414.db2.gz ABBAZXVUVGLNBL-UHFFFAOYSA-N -1 1 393.407 1.907 20 0 GDADMM COCCNC(=O)[C@H]1CC[C@H](C)N(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000821691357 606459052 /nfs/dbraw/zinc/45/90/52/606459052.db2.gz RKQLGTZPXZYUHF-QWRGUYRKSA-N -1 1 379.852 1.283 20 0 GDADMM COCCNC(=O)[C@H]1CC[C@H](C)N(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000821691357 606459054 /nfs/dbraw/zinc/45/90/54/606459054.db2.gz RKQLGTZPXZYUHF-QWRGUYRKSA-N -1 1 379.852 1.283 20 0 GDADMM O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)c1ccc(-c2nn[n-]n2)s1 ZINC000823183333 606493071 /nfs/dbraw/zinc/49/30/71/606493071.db2.gz UXYAJIMNDKZMLQ-AWEZNQCLSA-N -1 1 384.465 1.559 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCC(c2nnc3ccccn32)CC1 ZINC000823483724 606520879 /nfs/dbraw/zinc/52/08/79/606520879.db2.gz LBBVVOXDZRSEBH-UHFFFAOYSA-N -1 1 380.437 1.991 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCC(c2nnc3ccccn32)CC1 ZINC000823483724 606520881 /nfs/dbraw/zinc/52/08/81/606520881.db2.gz LBBVVOXDZRSEBH-UHFFFAOYSA-N -1 1 380.437 1.991 20 0 GDADMM CCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821118772 606522773 /nfs/dbraw/zinc/52/27/73/606522773.db2.gz QPURKABCZPXFBB-UHFFFAOYSA-N -1 1 392.466 1.869 20 0 GDADMM CCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821118772 606522774 /nfs/dbraw/zinc/52/27/74/606522774.db2.gz QPURKABCZPXFBB-UHFFFAOYSA-N -1 1 392.466 1.869 20 0 GDADMM O=C(NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823261135 606535479 /nfs/dbraw/zinc/53/54/79/606535479.db2.gz BWIDZGHESDUATM-ZDUSSCGKSA-N -1 1 398.448 1.976 20 0 GDADMM O=C(NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823261135 606535481 /nfs/dbraw/zinc/53/54/81/606535481.db2.gz BWIDZGHESDUATM-ZDUSSCGKSA-N -1 1 398.448 1.976 20 0 GDADMM CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821637787 606538214 /nfs/dbraw/zinc/53/82/14/606538214.db2.gz UCQZOIUHAVDATQ-UHFFFAOYSA-N -1 1 390.450 1.039 20 0 GDADMM CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821637787 606538216 /nfs/dbraw/zinc/53/82/16/606538216.db2.gz UCQZOIUHAVDATQ-UHFFFAOYSA-N -1 1 390.450 1.039 20 0 GDADMM CCc1cc(N2CCC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)s3)C2)ncn1 ZINC000821470662 606559630 /nfs/dbraw/zinc/55/96/30/606559630.db2.gz RKEBNWYVNWALFR-LBPRGKRZSA-N -1 1 384.469 1.679 20 0 GDADMM CCc1cc(N2CCC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)s3)C2)ncn1 ZINC000821470662 606559631 /nfs/dbraw/zinc/55/96/31/606559631.db2.gz RKEBNWYVNWALFR-LBPRGKRZSA-N -1 1 384.469 1.679 20 0 GDADMM O=C(N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823144551 606578167 /nfs/dbraw/zinc/57/81/67/606578167.db2.gz IJONDOISUSOKMG-HZSPNIEDSA-N -1 1 394.460 1.815 20 0 GDADMM O=C(N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823144551 606578169 /nfs/dbraw/zinc/57/81/69/606578169.db2.gz IJONDOISUSOKMG-HZSPNIEDSA-N -1 1 394.460 1.815 20 0 GDADMM CCOC(=O)[C@@H](C)CNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000821314558 606580428 /nfs/dbraw/zinc/58/04/28/606580428.db2.gz MGXXGISJKVWILJ-VIFPVBQESA-N -1 1 390.469 1.790 20 0 GDADMM Cc1oc(NC(=O)COC(=O)C=Cc2cccc(O)c2)c(-c2nn[n-]n2)c1C ZINC000822548337 606615930 /nfs/dbraw/zinc/61/59/30/606615930.db2.gz IPXGVUNANKGHCM-VOTSOKGWSA-N -1 1 383.364 1.977 20 0 GDADMM CCn1nc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c(=O)c2ccccc21 ZINC000821566765 606649549 /nfs/dbraw/zinc/64/95/49/606649549.db2.gz SLUQBFIQOXQUDG-UHFFFAOYSA-N -1 1 377.364 1.349 20 0 GDADMM CCn1nc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c(=O)c2ccccc21 ZINC000821566765 606649550 /nfs/dbraw/zinc/64/95/50/606649550.db2.gz SLUQBFIQOXQUDG-UHFFFAOYSA-N -1 1 377.364 1.349 20 0 GDADMM O=C(CCn1cc(Br)cn1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822987510 606652100 /nfs/dbraw/zinc/65/21/00/606652100.db2.gz YOADINFHZCDMMM-UHFFFAOYSA-N -1 1 378.190 1.354 20 0 GDADMM O=C(CCn1cc(Br)cn1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822987510 606652101 /nfs/dbraw/zinc/65/21/01/606652101.db2.gz YOADINFHZCDMMM-UHFFFAOYSA-N -1 1 378.190 1.354 20 0 GDADMM O=C(CCNC(=O)c1[nH]nc2ccccc21)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822969164 606652892 /nfs/dbraw/zinc/65/28/92/606652892.db2.gz INBYDOCDODDWIY-UHFFFAOYSA-N -1 1 392.379 1.001 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC000823435798 606652974 /nfs/dbraw/zinc/65/29/74/606652974.db2.gz AHEFYOMLVATQCD-UHFFFAOYSA-N -1 1 391.391 1.484 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC000823435798 606652975 /nfs/dbraw/zinc/65/29/75/606652975.db2.gz AHEFYOMLVATQCD-UHFFFAOYSA-N -1 1 391.391 1.484 20 0 GDADMM C[C@H]1C[C@H](C)CN(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2-c2nn[nH]n2)C1 ZINC000820649652 606707246 /nfs/dbraw/zinc/70/72/46/606707246.db2.gz NNWWPRUZJHGMSZ-QWRGUYRKSA-N -1 1 382.494 1.453 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2)cc(F)c1F ZINC000821667972 606707532 /nfs/dbraw/zinc/70/75/32/606707532.db2.gz JFYZPPJDBUKQCS-UHFFFAOYSA-N -1 1 395.347 1.732 20 0 GDADMM Cc1cccnc1NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000822369533 606768629 /nfs/dbraw/zinc/76/86/29/606768629.db2.gz JYDNSMMSVUVNMZ-LBPRGKRZSA-N -1 1 380.416 1.103 20 0 GDADMM Cc1cccnc1NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000822369533 606768631 /nfs/dbraw/zinc/76/86/31/606768631.db2.gz JYDNSMMSVUVNMZ-LBPRGKRZSA-N -1 1 380.416 1.103 20 0 GDADMM CCc1nnc(COC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)n1C ZINC000821517425 606775353 /nfs/dbraw/zinc/77/53/53/606775353.db2.gz IVSLWVWCQBEONM-UHFFFAOYSA-N -1 1 382.384 1.607 20 0 GDADMM CCc1nnc(COC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)n1C ZINC000821517425 606775355 /nfs/dbraw/zinc/77/53/55/606775355.db2.gz IVSLWVWCQBEONM-UHFFFAOYSA-N -1 1 382.384 1.607 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1nc(C(C)(C)C)no1 ZINC000820804065 606778474 /nfs/dbraw/zinc/77/84/74/606778474.db2.gz MEZOGXYLOIPWPD-NSHDSACASA-N -1 1 384.448 1.048 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1nc(C(C)(C)C)no1 ZINC000820804065 606778475 /nfs/dbraw/zinc/77/84/75/606778475.db2.gz MEZOGXYLOIPWPD-NSHDSACASA-N -1 1 384.448 1.048 20 0 GDADMM CCOc1ccc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)nc1 ZINC000821421932 606781125 /nfs/dbraw/zinc/78/11/25/606781125.db2.gz IOCFYGXYQSTCFO-CYBMUJFWSA-N -1 1 381.444 1.161 20 0 GDADMM CCOc1ccc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)nc1 ZINC000821421932 606781126 /nfs/dbraw/zinc/78/11/26/606781126.db2.gz IOCFYGXYQSTCFO-CYBMUJFWSA-N -1 1 381.444 1.161 20 0 GDADMM Cc1ccc(CNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)s1 ZINC000822237019 606788045 /nfs/dbraw/zinc/78/80/45/606788045.db2.gz ATORDXQRUQPAMU-NSHDSACASA-N -1 1 399.484 1.447 20 0 GDADMM Cc1ccc(CNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)s1 ZINC000822237019 606788046 /nfs/dbraw/zinc/78/80/46/606788046.db2.gz ATORDXQRUQPAMU-NSHDSACASA-N -1 1 399.484 1.447 20 0 GDADMM Cc1ccncc1COC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000822379465 606801392 /nfs/dbraw/zinc/80/13/92/606801392.db2.gz OIOOLNATPWJQBF-UHFFFAOYSA-N -1 1 392.423 1.906 20 0 GDADMM Cc1ccncc1COC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000822379465 606801394 /nfs/dbraw/zinc/80/13/94/606801394.db2.gz OIOOLNATPWJQBF-UHFFFAOYSA-N -1 1 392.423 1.906 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccccc1Cl ZINC000820789186 606818476 /nfs/dbraw/zinc/81/84/76/606818476.db2.gz XDHXOJOPPVRPNN-NSHDSACASA-N -1 1 384.831 1.661 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccccc1Cl ZINC000820789186 606818479 /nfs/dbraw/zinc/81/84/79/606818479.db2.gz XDHXOJOPPVRPNN-NSHDSACASA-N -1 1 384.831 1.661 20 0 GDADMM O=C(Cn1cccc(-c2nn[n-]n2)c1=O)NCc1ccc(F)cc1C(F)(F)F ZINC000823123128 606825526 /nfs/dbraw/zinc/82/55/26/606825526.db2.gz OTCVAZQBSQPEFH-UHFFFAOYSA-N -1 1 396.304 1.503 20 0 GDADMM CN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821612165 606840868 /nfs/dbraw/zinc/84/08/68/606840868.db2.gz LMIFQWPLVVODJI-UHFFFAOYSA-N -1 1 391.384 1.555 20 0 GDADMM Cc1cccc(C)c1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000822293869 606855695 /nfs/dbraw/zinc/85/56/95/606855695.db2.gz PIGDGHLCNFJABR-AWEZNQCLSA-N -1 1 378.440 1.624 20 0 GDADMM Cc1cccc(C)c1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000822293869 606855697 /nfs/dbraw/zinc/85/56/97/606855697.db2.gz PIGDGHLCNFJABR-AWEZNQCLSA-N -1 1 378.440 1.624 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H]2CC3(CCC3)Oc3ccccc32)n(C)c1=O ZINC000822599525 606880062 /nfs/dbraw/zinc/88/00/62/606880062.db2.gz DFXOHVOGFQATLQ-LBPRGKRZSA-N -1 1 395.423 1.123 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OC[C@@]1(C)CCCO1 ZINC000822459842 606899283 /nfs/dbraw/zinc/89/92/83/606899283.db2.gz YUEIMPZZNVIYCW-GOSISDBHSA-N -1 1 385.428 1.571 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OC[C@@]1(C)CCCO1 ZINC000822459842 606899284 /nfs/dbraw/zinc/89/92/84/606899284.db2.gz YUEIMPZZNVIYCW-GOSISDBHSA-N -1 1 385.428 1.571 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@H](O)c2cc3ccccc3s2)n1 ZINC000822614536 606908565 /nfs/dbraw/zinc/90/85/65/606908565.db2.gz NJVUTGQGZFYJQR-NSHDSACASA-N -1 1 384.425 1.670 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@H](O)c2cc3ccccc3s2)n1 ZINC000822614536 606908566 /nfs/dbraw/zinc/90/85/66/606908566.db2.gz NJVUTGQGZFYJQR-NSHDSACASA-N -1 1 384.425 1.670 20 0 GDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000823380093 607024782 /nfs/dbraw/zinc/02/47/82/607024782.db2.gz PYMLIVPJLMKJPN-UHFFFAOYSA-N -1 1 391.438 1.115 20 0 GDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000823380093 607024784 /nfs/dbraw/zinc/02/47/84/607024784.db2.gz PYMLIVPJLMKJPN-UHFFFAOYSA-N -1 1 391.438 1.115 20 0 GDADMM O[C@@H](CNc1nccnc1-c1nnn[n-]1)COc1ccccc1Br ZINC000823689373 607032846 /nfs/dbraw/zinc/03/28/46/607032846.db2.gz FUBLTAFWRMLBJK-VIFPVBQESA-N -1 1 392.217 1.271 20 0 GDADMM O[C@@H](CNc1nccnc1-c1nn[n-]n1)COc1ccccc1Br ZINC000823689373 607032849 /nfs/dbraw/zinc/03/28/49/607032849.db2.gz FUBLTAFWRMLBJK-VIFPVBQESA-N -1 1 392.217 1.271 20 0 GDADMM C[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C[C@H]1n1ccnc1 ZINC000820727241 607052506 /nfs/dbraw/zinc/05/25/06/607052506.db2.gz JMDMSVACKIXQIX-DGCLKSJQSA-N -1 1 391.432 1.474 20 0 GDADMM C[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C[C@H]1n1ccnc1 ZINC000820727241 607052508 /nfs/dbraw/zinc/05/25/08/607052508.db2.gz JMDMSVACKIXQIX-DGCLKSJQSA-N -1 1 391.432 1.474 20 0 GDADMM c1nc2ccccn2c1CN1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000823802431 607059344 /nfs/dbraw/zinc/05/93/44/607059344.db2.gz NOCIPDQUGJOTAQ-UHFFFAOYSA-N -1 1 391.439 1.702 20 0 GDADMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1ccc(N2CCOCC2)c(F)c1 ZINC000823379812 607103351 /nfs/dbraw/zinc/10/33/51/607103351.db2.gz JLNCRSYAEOJVCC-UHFFFAOYSA-N -1 1 375.389 1.551 20 0 GDADMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1ccc(N2CCOCC2)c(F)c1 ZINC000823379812 607103352 /nfs/dbraw/zinc/10/33/52/607103352.db2.gz JLNCRSYAEOJVCC-UHFFFAOYSA-N -1 1 375.389 1.551 20 0 GDADMM O=C(CNC(=O)c1cc(-c2ccccc2)on1)Nc1ncc(-c2nnn[n-]2)s1 ZINC000823001293 607105266 /nfs/dbraw/zinc/10/52/66/607105266.db2.gz KGVLMAIVQSYSMY-UHFFFAOYSA-N -1 1 396.392 1.347 20 0 GDADMM O=C(CNC(=O)c1cc(-c2ccccc2)on1)Nc1ncc(-c2nn[n-]n2)s1 ZINC000823001293 607105269 /nfs/dbraw/zinc/10/52/69/607105269.db2.gz KGVLMAIVQSYSMY-UHFFFAOYSA-N -1 1 396.392 1.347 20 0 GDADMM CCOC(=O)[C@@]1(CCOC(=O)c2sccc2-c2nn[n-]n2)CCCC1=O ZINC000821321492 607111497 /nfs/dbraw/zinc/11/14/97/607111497.db2.gz YGWJTHUQZDOFJI-MRXNPFEDSA-N -1 1 378.410 1.778 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)Nc1cccc(O)c1 ZINC000822459544 607185325 /nfs/dbraw/zinc/18/53/25/607185325.db2.gz RKEYHYKJSUYFIV-UHFFFAOYSA-N -1 1 378.396 1.803 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)Nc1cccc(O)c1 ZINC000822459544 607185326 /nfs/dbraw/zinc/18/53/26/607185326.db2.gz RKEYHYKJSUYFIV-UHFFFAOYSA-N -1 1 378.396 1.803 20 0 GDADMM CSC[C@@H](CCO)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000821956857 607187120 /nfs/dbraw/zinc/18/71/20/607187120.db2.gz ZJMIUXBFFMRUBE-LLVKDONJSA-N -1 1 376.442 1.403 20 0 GDADMM CSC[C@@H](CCO)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000821956857 607187121 /nfs/dbraw/zinc/18/71/21/607187121.db2.gz ZJMIUXBFFMRUBE-LLVKDONJSA-N -1 1 376.442 1.403 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccccc1SCC(F)(F)F ZINC000823136021 607206593 /nfs/dbraw/zinc/20/65/93/607206593.db2.gz GLOYFWGKVWXNKB-UHFFFAOYSA-N -1 1 384.347 1.751 20 0 GDADMM CCOC(=O)c1cc2cc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)ccc2s1 ZINC000821342799 607207525 /nfs/dbraw/zinc/20/75/25/607207525.db2.gz HWBMGFOPBKYXHJ-UHFFFAOYSA-N -1 1 398.408 1.488 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(OCc2ccccc2)nc1 ZINC000823135935 607209143 /nfs/dbraw/zinc/20/91/43/607209143.db2.gz AZTWFPLYDQMYSH-UHFFFAOYSA-N -1 1 377.368 1.071 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccc(OCCc2ccccc2)c1 ZINC000823136181 607209200 /nfs/dbraw/zinc/20/92/00/607209200.db2.gz NNPYNYYXSMZXQY-UHFFFAOYSA-N -1 1 390.407 1.718 20 0 GDADMM C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(OCC(F)(F)F)cc1 ZINC000820333406 607210244 /nfs/dbraw/zinc/21/02/44/607210244.db2.gz AUGAKTOGTRHOQL-SECBINFHSA-N -1 1 396.333 1.277 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000823127124 607217291 /nfs/dbraw/zinc/21/72/91/607217291.db2.gz UEJFXCXDJZDQTD-SNVBAGLBSA-N -1 1 379.211 1.569 20 0 GDADMM CC(C)c1csc([C@H]2CCCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)C2)n1 ZINC000820197474 607219238 /nfs/dbraw/zinc/21/92/38/607219238.db2.gz JTLNTORQIVPPOC-NSHDSACASA-N -1 1 387.473 1.444 20 0 GDADMM CC(C)c1csc([C@@H]2CCCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)C2)n1 ZINC000820197472 607219354 /nfs/dbraw/zinc/21/93/54/607219354.db2.gz JTLNTORQIVPPOC-LLVKDONJSA-N -1 1 387.473 1.444 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCc1cccc(N(C)C)n1 ZINC000826233212 607855846 /nfs/dbraw/zinc/85/58/46/607855846.db2.gz YEIYCTVXUSNBQY-UHFFFAOYSA-N -1 1 396.455 1.294 20 0 GDADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)NC(=O)NCc1cccs1 ZINC000826418705 607864094 /nfs/dbraw/zinc/86/40/94/607864094.db2.gz SKYVBGROPGOUPK-UHFFFAOYSA-N -1 1 376.373 1.472 20 0 GDADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)NC(=O)NCc1cccs1 ZINC000826418705 607864095 /nfs/dbraw/zinc/86/40/95/607864095.db2.gz SKYVBGROPGOUPK-UHFFFAOYSA-N -1 1 376.373 1.472 20 0 GDADMM Cc1oc(NC(=O)COC(=O)[C@@H](C)C2CCOCC2)c(-c2nn[n-]n2)c1C ZINC000826342286 607919206 /nfs/dbraw/zinc/91/92/06/607919206.db2.gz DPZPQDJFXWSROI-JTQLQIEISA-N -1 1 377.401 1.621 20 0 GDADMM O=S(=O)(N[C@@H](CO)CC(F)(F)F)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826487374 607938403 /nfs/dbraw/zinc/93/84/03/607938403.db2.gz MLGISUGWRYBCLV-ZCFIWIBFSA-N -1 1 385.755 1.112 20 0 GDADMM CCCCCN(CCO)C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000825275908 607943653 /nfs/dbraw/zinc/94/36/53/607943653.db2.gz HHWLDOGMBYMHEC-UHFFFAOYSA-N -1 1 376.461 1.528 20 0 GDADMM Cc1oc(NC(=O)COC(=O)[C@H]2CCc3n[nH]cc3C2)c(-c2nn[n-]n2)c1C ZINC000826342370 607960151 /nfs/dbraw/zinc/96/01/51/607960151.db2.gz IBAMMFZAOPHAPB-JTQLQIEISA-N -1 1 385.384 1.086 20 0 GDADMM CCc1nn(Cc2ccc(C(=O)OC)cc2F)c(=O)c(-c2nn[n-]n2)c1CC ZINC000825763150 607965454 /nfs/dbraw/zinc/96/54/54/607965454.db2.gz PXHWPTRZBNRJMC-UHFFFAOYSA-N -1 1 386.387 1.522 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])C1(S(=O)(=O)c2ccccc2)CC1 ZINC000826450895 607998189 /nfs/dbraw/zinc/99/81/89/607998189.db2.gz IEMLEBKDHOFXSJ-UHFFFAOYSA-N -1 1 385.405 1.517 20 0 GDADMM CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000824108985 607998441 /nfs/dbraw/zinc/99/84/41/607998441.db2.gz MAOXNBUSTZBSDL-NSHDSACASA-N -1 1 392.441 1.821 20 0 GDADMM CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825049558 607999234 /nfs/dbraw/zinc/99/92/34/607999234.db2.gz CPVALVQZWXPMFO-BXKDBHETSA-N -1 1 376.442 1.458 20 0 GDADMM O=S(=O)(N[C@H]1CCCCC12OCCO2)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826487931 608000481 /nfs/dbraw/zinc/00/04/81/608000481.db2.gz DUQOFHWHPXASBV-LBPRGKRZSA-N -1 1 399.860 1.484 20 0 GDADMM O=S(=O)(N[C@H]1CCCCC12OCCO2)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826487931 608000482 /nfs/dbraw/zinc/00/04/82/608000482.db2.gz DUQOFHWHPXASBV-LBPRGKRZSA-N -1 1 399.860 1.484 20 0 GDADMM O=C(NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000826434150 608005168 /nfs/dbraw/zinc/00/51/68/608005168.db2.gz DMZCAMLSBLKZOI-ZDUSSCGKSA-N -1 1 382.449 1.707 20 0 GDADMM O=C(NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000826434150 608005169 /nfs/dbraw/zinc/00/51/69/608005169.db2.gz DMZCAMLSBLKZOI-ZDUSSCGKSA-N -1 1 382.449 1.707 20 0 GDADMM Cc1cc(C(=O)Cn2ccnc2-c2nnn[n-]2)c(C)n1NC(=O)c1ccccc1 ZINC000826257026 608012942 /nfs/dbraw/zinc/01/29/42/608012942.db2.gz KLBUYYPUQILLQX-UHFFFAOYSA-N -1 1 390.407 1.748 20 0 GDADMM Cc1cc(C(=O)Cn2ccnc2-c2nn[n-]n2)c(C)n1NC(=O)c1ccccc1 ZINC000826257026 608012943 /nfs/dbraw/zinc/01/29/43/608012943.db2.gz KLBUYYPUQILLQX-UHFFFAOYSA-N -1 1 390.407 1.748 20 0 GDADMM Cc1oc(NC(=O)COC(=O)[C@@H]2CCC(=O)C[C@@H]2C)c(-c2nn[n-]n2)c1C ZINC000826342709 608030127 /nfs/dbraw/zinc/03/01/27/608030127.db2.gz WVCSNDPAMFNWNQ-QPUJVOFHSA-N -1 1 375.385 1.564 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)Cn2cnc(-c3ccccc3)n2)n1 ZINC000824148419 608066194 /nfs/dbraw/zinc/06/61/94/608066194.db2.gz UHSLMMJSOFXKTL-UHFFFAOYSA-N -1 1 392.427 1.715 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)Cn2cnc(-c3ccccc3)n2)n1 ZINC000824148419 608066195 /nfs/dbraw/zinc/06/61/95/608066195.db2.gz UHSLMMJSOFXKTL-UHFFFAOYSA-N -1 1 392.427 1.715 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2csc(-c3ccccc3F)n2)c1=O ZINC000826356933 608096366 /nfs/dbraw/zinc/09/63/66/608096366.db2.gz LDQKMKATIMAUSC-UHFFFAOYSA-N -1 1 385.384 1.038 20 0 GDADMM CN1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)[C@H]1c1ccc(F)c(F)c1 ZINC000826029254 608121413 /nfs/dbraw/zinc/12/14/13/608121413.db2.gz RDFZHTBAFBGQKQ-GDBMZVCRSA-N -1 1 385.378 1.715 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1ncn(C(C)(C)C)n1 ZINC000826232746 608126425 /nfs/dbraw/zinc/12/64/25/608126425.db2.gz GWYZEHSJBZFJJY-UHFFFAOYSA-N -1 1 385.432 1.502 20 0 GDADMM CC(C)(C)[C@@H]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000824079931 608145185 /nfs/dbraw/zinc/14/51/85/608145185.db2.gz SUFDDEOQPPDQEW-LLVKDONJSA-N -1 1 388.476 1.651 20 0 GDADMM CC(C)(C)[C@@H]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000824079931 608145186 /nfs/dbraw/zinc/14/51/86/608145186.db2.gz SUFDDEOQPPDQEW-LLVKDONJSA-N -1 1 388.476 1.651 20 0 GDADMM CC(C)n1cccc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000825000233 608155514 /nfs/dbraw/zinc/15/55/14/608155514.db2.gz OHVIPRMEJJIAAB-ZDUSSCGKSA-N -1 1 381.444 1.390 20 0 GDADMM CC(C)n1cccc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000825000233 608155515 /nfs/dbraw/zinc/15/55/15/608155515.db2.gz OHVIPRMEJJIAAB-ZDUSSCGKSA-N -1 1 381.444 1.390 20 0 GDADMM COc1ccc(CN(CCO)c2snc(Cl)c2-c2nnn[n-]2)c(OC)c1 ZINC000826194077 608185332 /nfs/dbraw/zinc/18/53/32/608185332.db2.gz ZZHPHTAGWVBUMS-UHFFFAOYSA-N -1 1 396.860 1.993 20 0 GDADMM COc1ccc(CN(CCO)c2snc(Cl)c2-c2nn[n-]n2)c(OC)c1 ZINC000826194077 608185334 /nfs/dbraw/zinc/18/53/34/608185334.db2.gz ZZHPHTAGWVBUMS-UHFFFAOYSA-N -1 1 396.860 1.993 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C[C@@H]1OCCc2ccccc21 ZINC000825923806 608211225 /nfs/dbraw/zinc/21/12/25/608211225.db2.gz WPYDZDGETAQKGQ-HNNXBMFYSA-N -1 1 396.455 1.267 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C[C@@H]1OCCc2ccccc21 ZINC000825923806 608211227 /nfs/dbraw/zinc/21/12/27/608211227.db2.gz WPYDZDGETAQKGQ-HNNXBMFYSA-N -1 1 396.455 1.267 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@H]1[C@H]1CCCC1=O ZINC000826232669 608214468 /nfs/dbraw/zinc/21/44/68/608214468.db2.gz CMBLTIUKTYVJJP-CABCVRRESA-N -1 1 398.467 1.877 20 0 GDADMM C[C@]1(NS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CCCOC1 ZINC000824836759 608250884 /nfs/dbraw/zinc/25/08/84/608250884.db2.gz CRNULTHVDXJESF-ZDUSSCGKSA-N -1 1 391.375 1.733 20 0 GDADMM CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825193107 608340119 /nfs/dbraw/zinc/34/01/19/608340119.db2.gz KIHOFVCZXADABA-DGCLKSJQSA-N -1 1 388.476 1.842 20 0 GDADMM CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825193107 608340121 /nfs/dbraw/zinc/34/01/21/608340121.db2.gz KIHOFVCZXADABA-DGCLKSJQSA-N -1 1 388.476 1.842 20 0 GDADMM C[C@@H]1CCCC[C@@H]1N(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824938840 608341359 /nfs/dbraw/zinc/34/13/59/608341359.db2.gz WHHGHFLQDKHYSS-YPMHNXCESA-N -1 1 388.476 1.794 20 0 GDADMM C[C@@H]1CCCC[C@@H]1N(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824938840 608341361 /nfs/dbraw/zinc/34/13/61/608341361.db2.gz WHHGHFLQDKHYSS-YPMHNXCESA-N -1 1 388.476 1.794 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N(CC2CC2)CC2CC2)n1 ZINC000824141599 608353132 /nfs/dbraw/zinc/35/31/32/608353132.db2.gz KVAPBQFUUBDLIZ-UHFFFAOYSA-N -1 1 386.460 1.405 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N(CC2CC2)CC2CC2)n1 ZINC000824141599 608353134 /nfs/dbraw/zinc/35/31/34/608353134.db2.gz KVAPBQFUUBDLIZ-UHFFFAOYSA-N -1 1 386.460 1.405 20 0 GDADMM C[C@@H]1c2ccccc2CN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825028756 608355125 /nfs/dbraw/zinc/35/51/25/608355125.db2.gz KBXRXSFMAHCSOR-LLVKDONJSA-N -1 1 394.439 1.860 20 0 GDADMM C[C@@H]1c2ccccc2CN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825028756 608355128 /nfs/dbraw/zinc/35/51/28/608355128.db2.gz KBXRXSFMAHCSOR-LLVKDONJSA-N -1 1 394.439 1.860 20 0 GDADMM Cc1ccncc1[C@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826314644 608359090 /nfs/dbraw/zinc/35/90/90/608359090.db2.gz HAOJUNFXFNFVQN-NSHDSACASA-N -1 1 397.443 1.338 20 0 GDADMM Cc1ccncc1[C@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826314644 608359092 /nfs/dbraw/zinc/35/90/92/608359092.db2.gz HAOJUNFXFNFVQN-NSHDSACASA-N -1 1 397.443 1.338 20 0 GDADMM Cn1c(Sc2ccc(-c3nnn[n-]3)nn2)nnc1[C@@H]1COc2ccccc2O1 ZINC000826356118 608393915 /nfs/dbraw/zinc/39/39/15/608393915.db2.gz ASCPEKNQUNZWPG-LBPRGKRZSA-N -1 1 395.408 1.449 20 0 GDADMM Cn1c(Sc2ccc(-c3nn[n-]n3)nn2)nnc1[C@@H]1COc2ccccc2O1 ZINC000826356118 608393917 /nfs/dbraw/zinc/39/39/17/608393917.db2.gz ASCPEKNQUNZWPG-LBPRGKRZSA-N -1 1 395.408 1.449 20 0 GDADMM Cc1ccc(CNC(=O)C2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)cc1 ZINC000826287855 608428326 /nfs/dbraw/zinc/42/83/26/608428326.db2.gz GOQJNLQZIBZBGC-UHFFFAOYSA-N -1 1 378.440 1.498 20 0 GDADMM Cc1ccc(CNC(=O)C2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)cc1 ZINC000826287855 608428327 /nfs/dbraw/zinc/42/83/27/608428327.db2.gz GOQJNLQZIBZBGC-UHFFFAOYSA-N -1 1 378.440 1.498 20 0 GDADMM Cc1nc(Cl)ccc1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826326474 608555777 /nfs/dbraw/zinc/55/57/77/608555777.db2.gz QSDNKWUPQYBCQH-UHFFFAOYSA-N -1 1 375.824 1.234 20 0 GDADMM Cc1nc(Cl)ccc1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826326474 608555778 /nfs/dbraw/zinc/55/57/78/608555778.db2.gz QSDNKWUPQYBCQH-UHFFFAOYSA-N -1 1 375.824 1.234 20 0 GDADMM C[C@@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1c(F)cccc1F ZINC000824039339 608557470 /nfs/dbraw/zinc/55/74/70/608557470.db2.gz DHQCKYKEMSHBDK-SECBINFHSA-N -1 1 390.398 1.645 20 0 GDADMM C[C@@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1c(F)cccc1F ZINC000824039339 608557472 /nfs/dbraw/zinc/55/74/72/608557472.db2.gz DHQCKYKEMSHBDK-SECBINFHSA-N -1 1 390.398 1.645 20 0 GDADMM Cc1cccc(C)c1OCCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826296521 608558678 /nfs/dbraw/zinc/55/86/78/608558678.db2.gz ADFDCFDIEFVFGT-UHFFFAOYSA-N -1 1 398.471 1.649 20 0 GDADMM Cc1cccc(C)c1OCCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826296521 608558680 /nfs/dbraw/zinc/55/86/80/608558680.db2.gz ADFDCFDIEFVFGT-UHFFFAOYSA-N -1 1 398.471 1.649 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC[C@@H]1C1CCOCC1 ZINC000826496466 609182947 /nfs/dbraw/zinc/18/29/47/609182947.db2.gz XEDIZYRRVYEICJ-CYBMUJFWSA-N -1 1 381.433 1.586 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC[C@@H]1C1CCOCC1 ZINC000826496466 609182949 /nfs/dbraw/zinc/18/29/49/609182949.db2.gz XEDIZYRRVYEICJ-CYBMUJFWSA-N -1 1 381.433 1.586 20 0 GDADMM COc1coc(CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cc1=O ZINC000826221619 609278945 /nfs/dbraw/zinc/27/89/45/609278945.db2.gz NEDIWXVTRFQNIX-UHFFFAOYSA-N -1 1 383.343 1.765 20 0 GDADMM Cc1nn(C)c(C)c1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826332798 609289280 /nfs/dbraw/zinc/28/92/80/609289280.db2.gz IEKIOZURRNONNH-UHFFFAOYSA-N -1 1 381.375 1.794 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)Nc2cccnc2-n2cccn2)cc1-c1nn[n-]n1 ZINC000826229593 609296808 /nfs/dbraw/zinc/29/68/08/609296808.db2.gz JXOLGTMBCPJKLG-UHFFFAOYSA-N -1 1 395.408 1.522 20 0 GDADMM C[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1cccs1 ZINC000824491388 609298250 /nfs/dbraw/zinc/29/82/50/609298250.db2.gz UDVWPRLKBVWZOX-VIFPVBQESA-N -1 1 375.462 1.569 20 0 GDADMM C[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1cccs1 ZINC000824491388 609298252 /nfs/dbraw/zinc/29/82/52/609298252.db2.gz UDVWPRLKBVWZOX-VIFPVBQESA-N -1 1 375.462 1.569 20 0 GDADMM CCOc1ccccc1CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825654145 609300454 /nfs/dbraw/zinc/30/04/54/609300454.db2.gz PLWZJFJCKRTTKM-UHFFFAOYSA-N -1 1 399.459 1.345 20 0 GDADMM CCOc1ccccc1CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825654145 609300455 /nfs/dbraw/zinc/30/04/55/609300455.db2.gz PLWZJFJCKRTTKM-UHFFFAOYSA-N -1 1 399.459 1.345 20 0 GDADMM O=C(CSc1cccnn1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000826421021 609310642 /nfs/dbraw/zinc/31/06/42/609310642.db2.gz NUAFIDJPMZFPEF-UHFFFAOYSA-N -1 1 379.409 1.573 20 0 GDADMM O=C(CSc1cccnn1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000826421021 609310644 /nfs/dbraw/zinc/31/06/44/609310644.db2.gz NUAFIDJPMZFPEF-UHFFFAOYSA-N -1 1 379.409 1.573 20 0 GDADMM CCOC(=O)C1(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CCC1 ZINC000825492441 609310937 /nfs/dbraw/zinc/31/09/37/609310937.db2.gz FVGMIPNZHNTPMM-UHFFFAOYSA-N -1 1 399.386 1.863 20 0 GDADMM CC(C)Oc1ncccc1OS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000824338000 609317559 /nfs/dbraw/zinc/31/75/59/609317559.db2.gz MHBLKYLHLALBRO-UHFFFAOYSA-N -1 1 379.373 1.956 20 0 GDADMM COC(=O)[C@@H]1CCCCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826133770 609318361 /nfs/dbraw/zinc/31/83/61/609318361.db2.gz PLDXXUOMDVDXTQ-LBPRGKRZSA-N -1 1 399.860 1.626 20 0 GDADMM CCC(CC)[C@H]1C[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC000825106390 609332860 /nfs/dbraw/zinc/33/28/60/609332860.db2.gz BKJHDRYHWPHULZ-IUODEOHRSA-N -1 1 380.474 1.524 20 0 GDADMM CCC(CC)[C@H]1C[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC000825106390 609332862 /nfs/dbraw/zinc/33/28/62/609332862.db2.gz BKJHDRYHWPHULZ-IUODEOHRSA-N -1 1 380.474 1.524 20 0 GDADMM C[C@H](NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C1CC1 ZINC000824471481 609352770 /nfs/dbraw/zinc/35/27/70/609352770.db2.gz QWMKSPZNWVERDZ-VIFPVBQESA-N -1 1 384.375 1.045 20 0 GDADMM C[C@@H]1CN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CCCO1 ZINC000824977661 609357675 /nfs/dbraw/zinc/35/76/75/609357675.db2.gz SARNNDWAMGVEAW-LLVKDONJSA-N -1 1 386.391 1.834 20 0 GDADMM C[C@H]1COCCCN1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825007464 609358268 /nfs/dbraw/zinc/35/82/68/609358268.db2.gz ZDTHKSRPWNWGOH-NSHDSACASA-N -1 1 386.391 1.834 20 0 GDADMM CCn1cnnc1CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825805076 609362983 /nfs/dbraw/zinc/36/29/83/609362983.db2.gz QNRHTLQUUUERIS-UHFFFAOYSA-N -1 1 397.378 1.125 20 0 GDADMM CC[C@@H](CCO)CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825115076 609363274 /nfs/dbraw/zinc/36/32/74/609363274.db2.gz TVNWPCHGXOZJLG-NSHDSACASA-N -1 1 388.407 1.722 20 0 GDADMM CC[C@](C)(CCO)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825044985 609363765 /nfs/dbraw/zinc/36/37/65/609363765.db2.gz XCACRJAGYLIZAP-QGZVFWFLSA-N -1 1 388.407 1.864 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N[C@@H]1CCC[C@H](O)C1 ZINC000826458108 609364133 /nfs/dbraw/zinc/36/41/33/609364133.db2.gz CVIRMYKYMABJOY-MNOVXSKESA-N -1 1 386.391 1.617 20 0 GDADMM C[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824926012 609365717 /nfs/dbraw/zinc/36/57/17/609365717.db2.gz IIWCRQWEPKJKFQ-JQWIXIFHSA-N -1 1 398.402 1.435 20 0 GDADMM C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)[C@H]1C ZINC000824945455 609367521 /nfs/dbraw/zinc/36/75/21/609367521.db2.gz CTEZIQVDOUYFQN-MNOVXSKESA-N -1 1 398.402 1.387 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H](CCc1ccccc1)C(F)(F)F ZINC000826425285 609402982 /nfs/dbraw/zinc/40/29/82/609402982.db2.gz WYNCSSMPQQRFQG-LLVKDONJSA-N -1 1 380.334 1.138 20 0 GDADMM CCN(Cc1cn(C)nn1)Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000825439607 609434682 /nfs/dbraw/zinc/43/46/82/609434682.db2.gz HDEOZAHROCUIBY-UHFFFAOYSA-N -1 1 378.444 1.511 20 0 GDADMM Cc1onc(CC(=O)Nc2ccccc2[C@@H](O)C(F)(F)F)c1-c1nnn[n-]1 ZINC000826348813 609471613 /nfs/dbraw/zinc/47/16/13/609471613.db2.gz GHPRFTPOLGQLBJ-CYBMUJFWSA-N -1 1 382.302 1.940 20 0 GDADMM Cc1onc(CC(=O)Nc2ccccc2[C@@H](O)C(F)(F)F)c1-c1nn[n-]n1 ZINC000826348813 609471615 /nfs/dbraw/zinc/47/16/15/609471615.db2.gz GHPRFTPOLGQLBJ-CYBMUJFWSA-N -1 1 382.302 1.940 20 0 GDADMM Cc1onc(CC(=O)N[C@H](C)CCNC(=O)OC(C)(C)C)c1-c1nnn[n-]1 ZINC000826345518 609472414 /nfs/dbraw/zinc/47/24/14/609472414.db2.gz MXFNHHAVLUUQII-SECBINFHSA-N -1 1 379.421 1.125 20 0 GDADMM Cc1onc(CC(=O)N[C@H](C)CCNC(=O)OC(C)(C)C)c1-c1nn[n-]n1 ZINC000826345518 609472417 /nfs/dbraw/zinc/47/24/17/609472417.db2.gz MXFNHHAVLUUQII-SECBINFHSA-N -1 1 379.421 1.125 20 0 GDADMM 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/nfs/dbraw/zinc/44/22/38/945442238.db2.gz XEIYUQUPKAWODC-SNVBAGLBSA-N -1 1 385.457 1.148 20 0 GDADMM Cc1nc(C)c(C(=O)NC2CC(CNc3cncc(-c4nnn[n-]4)n3)C2)s1 ZINC001571262914 945446240 /nfs/dbraw/zinc/44/62/40/945446240.db2.gz BYFODZPZVOJCQE-UHFFFAOYSA-N -1 1 385.457 1.351 20 0 GDADMM Cc1nc(C)c(C(=O)NC2CC(CNc3cncc(-c4nn[n-]n4)n3)C2)s1 ZINC001571262914 945446244 /nfs/dbraw/zinc/44/62/44/945446244.db2.gz BYFODZPZVOJCQE-UHFFFAOYSA-N -1 1 385.457 1.351 20 0 GDADMM Cc1ncc(C(=O)N2C[C@H](C)[C@H](CNc3nccnc3-c3nnn[n-]3)C2)s1 ZINC001571263017 945447989 /nfs/dbraw/zinc/44/79/89/945447989.db2.gz FUJWVZJAEVJCJU-GXSJLCMTSA-N -1 1 385.457 1.242 20 0 GDADMM Cc1ncc(C(=O)N2C[C@H](C)[C@H](CNc3nccnc3-c3nn[n-]n3)C2)s1 ZINC001571263017 945447991 /nfs/dbraw/zinc/44/79/91/945447991.db2.gz FUJWVZJAEVJCJU-GXSJLCMTSA-N -1 1 385.457 1.242 20 0 GDADMM Cc1nsc(NC2CC(CNC(=O)c3cnnc(C)c3)C2)c1-c1nn[n-]n1 ZINC001571262990 945448289 /nfs/dbraw/zinc/44/82/89/945448289.db2.gz DXILLQZCNSUFKI-UHFFFAOYSA-N -1 1 385.457 1.351 20 0 GDADMM O=C(Cc1cncs1)N1CC[C@@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571263273 945453808 /nfs/dbraw/zinc/45/38/08/945453808.db2.gz LRRWGPQKALMQCB-LLVKDONJSA-N -1 1 385.457 1.006 20 0 GDADMM O=C(Cc1cncs1)N1CC[C@@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571263273 945453812 /nfs/dbraw/zinc/45/38/12/945453812.db2.gz LRRWGPQKALMQCB-LLVKDONJSA-N -1 1 385.457 1.006 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)CCc3cncs3)C2)n1 ZINC001571263728 945465853 /nfs/dbraw/zinc/46/58/53/945465853.db2.gz XJSQQHJEADHVAZ-NSHDSACASA-N -1 1 385.457 1.067 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)CCc3cncs3)C2)n1 ZINC001571263728 945465859 /nfs/dbraw/zinc/46/58/59/945465859.db2.gz XJSQQHJEADHVAZ-NSHDSACASA-N -1 1 385.457 1.067 20 0 GDADMM Cc1nsc(N2CC[C@@]3(NC(=O)c4cn[nH]c4)CCC[C@@H]23)c1-c1nn[n-]n1 ZINC001571263897 945469729 /nfs/dbraw/zinc/46/97/29/945469729.db2.gz ZHMFXQAGVPRCKE-BZNIZROVSA-N -1 1 385.457 1.286 20 0 GDADMM Cc1nc(C(=O)NCC2CC(Nc3cncc(-c4nnn[n-]4)n3)C2)sc1C ZINC001571263870 945470208 /nfs/dbraw/zinc/47/02/08/945470208.db2.gz YSPDUDJPXAMBGY-UHFFFAOYSA-N -1 1 385.457 1.351 20 0 GDADMM Cc1nc(C(=O)NCC2CC(Nc3cncc(-c4nn[n-]n4)n3)C2)sc1C ZINC001571263870 945470215 /nfs/dbraw/zinc/47/02/15/945470215.db2.gz YSPDUDJPXAMBGY-UHFFFAOYSA-N -1 1 385.457 1.351 20 0 GDADMM O=C(NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)c1ccc(Cl)cn1 ZINC001571265337 945508155 /nfs/dbraw/zinc/50/81/55/945508155.db2.gz HOLKGGGLTHNCOG-LLVKDONJSA-N -1 1 385.819 1.104 20 0 GDADMM O=C(NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)c1ccc(Cl)cn1 ZINC001571265337 945508157 /nfs/dbraw/zinc/50/81/57/945508157.db2.gz HOLKGGGLTHNCOG-LLVKDONJSA-N -1 1 385.819 1.104 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(F)cc2F)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571266912 945557157 /nfs/dbraw/zinc/55/71/57/945557157.db2.gz CBIVDIOFSGVTSG-LKFCYVNXSA-N -1 1 386.366 1.508 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(F)cc2F)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571266912 945557159 /nfs/dbraw/zinc/55/71/59/945557159.db2.gz CBIVDIOFSGVTSG-LKFCYVNXSA-N -1 1 386.366 1.508 20 0 GDADMM C[C@@H]1CN(C(=O)c2cccc(F)c2F)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571267202 945564714 /nfs/dbraw/zinc/56/47/14/945564714.db2.gz MHCFTAMYRGCLNR-NOZJJQNGSA-N -1 1 386.366 1.508 20 0 GDADMM C[C@@H]1CN(C(=O)c2cccc(F)c2F)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571267202 945564719 /nfs/dbraw/zinc/56/47/19/945564719.db2.gz MHCFTAMYRGCLNR-NOZJJQNGSA-N -1 1 386.366 1.508 20 0 GDADMM O=C(c1ccc(C(F)F)cc1)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571267244 945565553 /nfs/dbraw/zinc/56/55/53/945565553.db2.gz NTEUYYLITDHPDZ-GFCCVEGCSA-N -1 1 386.366 1.921 20 0 GDADMM O=C(c1ccc(C(F)F)cc1)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571267244 945565561 /nfs/dbraw/zinc/56/55/61/945565561.db2.gz NTEUYYLITDHPDZ-GFCCVEGCSA-N -1 1 386.366 1.921 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1)c1ccc(F)c(F)c1 ZINC001571267222 945565618 /nfs/dbraw/zinc/56/56/18/945565618.db2.gz MZFQYROTLKHBBP-HOMQSWHASA-N -1 1 386.366 1.555 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1)c1ccc(F)c(F)c1 ZINC001571267222 945565623 /nfs/dbraw/zinc/56/56/23/945565623.db2.gz MZFQYROTLKHBBP-HOMQSWHASA-N -1 1 386.366 1.555 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccc(F)cc1F ZINC001571267374 945569533 /nfs/dbraw/zinc/56/95/33/945569533.db2.gz SJLXUDZUSHYKLT-ZANVPECISA-N -1 1 386.366 1.650 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccc(F)cc1F ZINC001571267374 945569536 /nfs/dbraw/zinc/56/95/36/945569536.db2.gz SJLXUDZUSHYKLT-ZANVPECISA-N -1 1 386.366 1.650 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)c(F)c1F ZINC001571267541 945572965 /nfs/dbraw/zinc/57/29/65/945572965.db2.gz YIDYUNOOAKCPRK-JTQLQIEISA-N -1 1 386.366 1.252 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)c(F)c1F ZINC001571267541 945572970 /nfs/dbraw/zinc/57/29/70/945572970.db2.gz YIDYUNOOAKCPRK-JTQLQIEISA-N -1 1 386.366 1.252 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1noc2c1CCCC2 ZINC001571269206 945615222 /nfs/dbraw/zinc/61/52/22/945615222.db2.gz SFEUWNVELZMEIN-UHFFFAOYSA-N -1 1 386.420 1.135 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1noc2c1CCCC2 ZINC001571269206 945615227 /nfs/dbraw/zinc/61/52/27/945615227.db2.gz SFEUWNVELZMEIN-UHFFFAOYSA-N -1 1 386.420 1.135 20 0 GDADMM Cc1nsc(N2CCC[C@@H]2CNC(=O)c2ncccc2[O-])c1-c1nn[nH]n1 ZINC001571270347 945634971 /nfs/dbraw/zinc/63/49/71/945634971.db2.gz QWHVZNTYAMLJAE-SNVBAGLBSA-N -1 1 386.441 1.131 20 0 GDADMM Cc1nsc(NC[C@@H]2CN(C(=O)c3cccn3C)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571271378 945642147 /nfs/dbraw/zinc/64/21/47/945642147.db2.gz BBSBTROWDGKVLU-ZYHUDNBSSA-N -1 1 386.485 1.790 20 0 GDADMM CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821165041 945647001 /nfs/dbraw/zinc/64/70/01/945647001.db2.gz NSJNHQLCDPZQRP-UHFFFAOYSA-N -1 1 388.428 1.846 20 0 GDADMM CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821165041 945647004 /nfs/dbraw/zinc/64/70/04/945647004.db2.gz NSJNHQLCDPZQRP-UHFFFAOYSA-N -1 1 388.428 1.846 20 0 GDADMM CCn1cccc1C(=O)NC[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571272096 945656372 /nfs/dbraw/zinc/65/63/72/945656372.db2.gz PEFPRGCQATZQMC-LBPRGKRZSA-N -1 1 386.485 1.709 20 0 GDADMM CCn1cccc1C(=O)NC[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571272095 945656927 /nfs/dbraw/zinc/65/69/27/945656927.db2.gz PEFPRGCQATZQMC-GFCCVEGCSA-N -1 1 386.485 1.709 20 0 GDADMM CN(c1nccnc1-c1nnn[n-]1)[C@H]1CCCN(C(=O)CC[C@@H]2CCCO2)C1 ZINC001571272223 945657492 /nfs/dbraw/zinc/65/74/92/945657492.db2.gz BKYYDFSCMZGOBH-KBPBESRZSA-N -1 1 386.460 1.043 20 0 GDADMM CN(c1nccnc1-c1nn[n-]n1)[C@H]1CCCN(C(=O)CC[C@@H]2CCCO2)C1 ZINC001571272223 945657495 /nfs/dbraw/zinc/65/74/95/945657495.db2.gz BKYYDFSCMZGOBH-KBPBESRZSA-N -1 1 386.460 1.043 20 0 GDADMM O=C(C[C@H]1CCCCO1)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571272975 945675456 /nfs/dbraw/zinc/67/54/56/945675456.db2.gz MBCMNSRPNKYQMO-ZIAGYGMSSA-N -1 1 386.460 1.091 20 0 GDADMM O=C(C[C@H]1CCCCO1)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571272975 945675460 /nfs/dbraw/zinc/67/54/60/945675460.db2.gz MBCMNSRPNKYQMO-ZIAGYGMSSA-N -1 1 386.460 1.091 20 0 GDADMM C[C@H](Nc1nccnc1-c1nnn[n-]1)[C@@H]1CN(C(=O)CC2CCCC2)CCO1 ZINC001571275654 945711552 /nfs/dbraw/zinc/71/15/52/945711552.db2.gz ACZILAIHTDNPBF-JSGCOSHPSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)[C@@H]1CN(C(=O)CC2CCCC2)CCO1 ZINC001571275654 945711556 /nfs/dbraw/zinc/71/15/56/945711556.db2.gz ACZILAIHTDNPBF-JSGCOSHPSA-N -1 1 386.460 1.265 20 0 GDADMM CCOC1CC(CC(=O)N2CCC[C@H]2CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571275713 945714228 /nfs/dbraw/zinc/71/42/28/945714228.db2.gz BFQSDCBFUGLWSH-MOKVOYLWSA-N -1 1 386.460 1.265 20 0 GDADMM CCOC1CC(CC(=O)N2CCC[C@H]2CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571275713 945714238 /nfs/dbraw/zinc/71/42/38/945714238.db2.gz BFQSDCBFUGLWSH-MOKVOYLWSA-N -1 1 386.460 1.265 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)[C@H]1CCCCO1 ZINC001571276578 945732730 /nfs/dbraw/zinc/73/27/30/945732730.db2.gz ITUGTVKVKUIOQL-GXTWGEPZSA-N -1 1 386.460 1.265 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)[C@H]1CCCCO1 ZINC001571276578 945732732 /nfs/dbraw/zinc/73/27/32/945732732.db2.gz ITUGTVKVKUIOQL-GXTWGEPZSA-N -1 1 386.460 1.265 20 0 GDADMM CC[C@@H]1CN(C(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)[C@@H](CC)CN1C(C)=O ZINC001571279132 945768783 /nfs/dbraw/zinc/76/87/83/945768783.db2.gz JHZBPWPLDXYNAQ-OLZOCXBDSA-N -1 1 387.444 1.137 20 0 GDADMM Cc1ncc(C(=O)N[C@H]2CCCN(c3snc(C)c3-c3nn[n-]n3)[C@H]2C)[nH]1 ZINC001571281356 945803402 /nfs/dbraw/zinc/80/34/02/945803402.db2.gz GWALOBQWWLRQRO-ONGXEEELSA-N -1 1 387.473 1.450 20 0 GDADMM Cc1nn(C)cc1C(=O)N[C@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571282234 945836310 /nfs/dbraw/zinc/83/63/10/945836310.db2.gz VKUZWSQILVNXBQ-NSHDSACASA-N -1 1 387.473 1.072 20 0 GDADMM Cc1nc[nH]c1C(=O)NC[C@H]1CCCCN1c1snc(C)c1-c1nn[n-]n1 ZINC001571282418 945843227 /nfs/dbraw/zinc/84/32/27/945843227.db2.gz XWRGCHRDQUUVNL-LLVKDONJSA-N -1 1 387.473 1.452 20 0 GDADMM O=C(Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1)C1([C@@H]2CCCCO2)CCOCC1 ZINC001571283024 945873926 /nfs/dbraw/zinc/87/39/26/945873926.db2.gz YBBXYXCKRIOCRX-LBPRGKRZSA-N -1 1 387.444 1.772 20 0 GDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H]1CCN(C(=O)c2ccc(Cl)[nH]2)C1 ZINC001571283426 945886214 /nfs/dbraw/zinc/88/62/14/945886214.db2.gz FTEXWECPDMBITB-ZJUUUORDSA-N -1 1 387.835 1.601 20 0 GDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H]1CCN(C(=O)c2ccc(Cl)[nH]2)C1 ZINC001571283426 945886225 /nfs/dbraw/zinc/88/62/25/945886225.db2.gz FTEXWECPDMBITB-ZJUUUORDSA-N -1 1 387.835 1.601 20 0 GDADMM C[C@@H]1CN(C(=O)c2cc(Cl)cn2C)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571284868 945905984 /nfs/dbraw/zinc/90/59/84/945905984.db2.gz VJZWIRJRRKMSNZ-BXKDBHETSA-N -1 1 387.835 1.221 20 0 GDADMM C[C@@H]1CN(C(=O)c2cc(Cl)cn2C)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571284868 945905991 /nfs/dbraw/zinc/90/59/91/945905991.db2.gz VJZWIRJRRKMSNZ-BXKDBHETSA-N -1 1 387.835 1.221 20 0 GDADMM O=C(Nc1cccc(F)c1)[C@H]1CSCN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001571285468 945917802 /nfs/dbraw/zinc/91/78/02/945917802.db2.gz FNLVCVOQJBKXHK-GFCCVEGCSA-N -1 1 388.384 1.753 20 0 GDADMM O=C(Nc1cccc(F)c1)[C@H]1CSCN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001571285468 945917814 /nfs/dbraw/zinc/91/78/14/945917814.db2.gz FNLVCVOQJBKXHK-GFCCVEGCSA-N -1 1 388.384 1.753 20 0 GDADMM Cn1cc(Cl)cc1C(=O)NC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571285886 945930023 /nfs/dbraw/zinc/93/00/23/945930023.db2.gz QKXWYJSGOTYDRZ-NSHDSACASA-N -1 1 387.835 1.047 20 0 GDADMM Cn1cc(Cl)cc1C(=O)NC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571285886 945930026 /nfs/dbraw/zinc/93/00/26/945930026.db2.gz QKXWYJSGOTYDRZ-NSHDSACASA-N -1 1 387.835 1.047 20 0 GDADMM COc1ncc(NC(=O)C[C@@H](NC(N)=O)c2cccs2)cc1-c1nn[n-]n1 ZINC001571286231 945939982 /nfs/dbraw/zinc/93/99/82/945939982.db2.gz BQMDOJSAGBDIPW-SNVBAGLBSA-N -1 1 388.413 1.070 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC2CC(N(C)C(=O)c3ccc(F)s3)C2)n1 ZINC001571286200 945940433 /nfs/dbraw/zinc/94/04/33/945940433.db2.gz AQAFPYKFFGVISY-UHFFFAOYSA-N -1 1 388.432 1.881 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC2CC(N(C)C(=O)c3ccc(F)s3)C2)n1 ZINC001571286200 945940442 /nfs/dbraw/zinc/94/04/42/945940442.db2.gz AQAFPYKFFGVISY-UHFFFAOYSA-N -1 1 388.432 1.881 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)c2sccc2F)C1 ZINC001571286388 945944402 /nfs/dbraw/zinc/94/44/02/945944402.db2.gz GNARUSNUMSLIBL-NXEZZACHSA-N -1 1 388.432 1.820 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)c2sccc2F)C1 ZINC001571286388 945944415 /nfs/dbraw/zinc/94/44/15/945944415.db2.gz GNARUSNUMSLIBL-NXEZZACHSA-N -1 1 388.432 1.820 20 0 GDADMM CC(C)(C)OC(=O)N1CCN(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001571286373 945945653 /nfs/dbraw/zinc/94/56/53/945945653.db2.gz GAJRDBDVHPAWOC-UHFFFAOYSA-N -1 1 388.432 1.024 20 0 GDADMM CC(C)(C)OC(=O)N1CCN(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC001571286373 945945660 /nfs/dbraw/zinc/94/56/60/945945660.db2.gz GAJRDBDVHPAWOC-UHFFFAOYSA-N -1 1 388.432 1.024 20 0 GDADMM O=C([C@@H]1CCO[C@H]1C1CC1)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001571289654 946014921 /nfs/dbraw/zinc/01/49/21/946014921.db2.gz JLLGFGBVVQKNDX-ZBFHGGJFSA-N -1 1 388.497 1.388 20 0 GDADMM Cc1nc(C(=O)N2C[C@@H](CNc3snc(C)c3-c3nn[n-]n3)[C@H](C)C2)co1 ZINC001571290020 946026271 /nfs/dbraw/zinc/02/62/71/946026271.db2.gz SSLTYMJNGRZFOU-LDYMZIIASA-N -1 1 388.457 1.748 20 0 GDADMM Cc1nsc(N[C@@H](C)C2CCN(C(=O)c3cn[nH]n3)CC2)c1-c1nn[n-]n1 ZINC001571290179 946032292 /nfs/dbraw/zinc/03/22/92/946032292.db2.gz WXROZMITTIKEST-QMMMGPOBSA-N -1 1 388.461 1.103 20 0 GDADMM Cc1nsc(N2CC[C@H](NC(=O)c3conc3C(C)C)C2)c1-c1nn[n-]n1 ZINC001571290248 946035475 /nfs/dbraw/zinc/03/54/75/946035475.db2.gz YLXWIBACPVEUAD-JTQLQIEISA-N -1 1 388.457 1.752 20 0 GDADMM O=C(c1ccc(F)c(Cl)c1)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571290363 946037264 /nfs/dbraw/zinc/03/72/64/946037264.db2.gz CEOBBAHTBWEJHZ-JTQLQIEISA-N -1 1 388.794 1.198 20 0 GDADMM Cc1nc(C)c(-c2nn[n-]n2)c(S[C@@H]2CCN(C3CCOCC3)C2=O)n1 ZINC000822428104 946088845 /nfs/dbraw/zinc/08/88/45/946088845.db2.gz ZNHPAZNDQRNWIH-GFCCVEGCSA-N -1 1 375.458 1.146 20 0 GDADMM Cc1nc(CNC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)sc1C ZINC000822439987 946092003 /nfs/dbraw/zinc/09/20/03/946092003.db2.gz HPJYRCLHUDJDIU-UHFFFAOYSA-N -1 1 387.469 1.906 20 0 GDADMM Cc1ccc([C@H](NC(=O)c2coc(-c3nnn[n-]3)c2)[C@H](C)S(C)(=O)=O)cc1 ZINC001571293227 946098633 /nfs/dbraw/zinc/09/86/33/946098633.db2.gz BPULZQPCCLSVNC-XHDPSFHLSA-N -1 1 389.437 1.672 20 0 GDADMM Cc1ccc([C@H](NC(=O)c2coc(-c3nn[n-]n3)c2)[C@H](C)S(C)(=O)=O)cc1 ZINC001571293227 946098644 /nfs/dbraw/zinc/09/86/44/946098644.db2.gz BPULZQPCCLSVNC-XHDPSFHLSA-N -1 1 389.437 1.672 20 0 GDADMM O=C(NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)c1coc(C(F)F)c1 ZINC001571294530 946136631 /nfs/dbraw/zinc/13/66/31/946136631.db2.gz INBOQNYRJQGLBY-UHFFFAOYSA-N -1 1 390.354 1.586 20 0 GDADMM O=C(c1c(F)cc(F)cc1F)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571294846 946145144 /nfs/dbraw/zinc/14/51/44/946145144.db2.gz NLXPFXCWRDZGTK-VIFPVBQESA-N -1 1 390.329 1.401 20 0 GDADMM O=C(c1c(F)cc(F)cc1F)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571294846 946145147 /nfs/dbraw/zinc/14/51/47/946145147.db2.gz NLXPFXCWRDZGTK-VIFPVBQESA-N -1 1 390.329 1.401 20 0 GDADMM Cc1nsc(NC2CCC(NC(=O)[C@]34C[C@H]3COC4)CC2)c1-c1nn[n-]n1 ZINC001571295480 946164690 /nfs/dbraw/zinc/16/46/90/946164690.db2.gz UVGBVVPWOLHHTQ-QNOMZIMSSA-N -1 1 389.485 1.507 20 0 GDADMM CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)c2coc(-c3nnn[n-]3)c2)cc1 ZINC001571296254 946189435 /nfs/dbraw/zinc/18/94/35/946189435.db2.gz RWOZQAVLQIDFBQ-UHFFFAOYSA-N -1 1 390.425 1.741 20 0 GDADMM CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)c2coc(-c3nn[n-]n3)c2)cc1 ZINC001571296254 946189446 /nfs/dbraw/zinc/18/94/46/946189446.db2.gz RWOZQAVLQIDFBQ-UHFFFAOYSA-N -1 1 390.425 1.741 20 0 GDADMM COc1cc(C(=O)NC2CC(CNc3snc(C)c3-c3nn[n-]n3)C2)on1 ZINC001571296436 946193463 /nfs/dbraw/zinc/19/34/63/946193463.db2.gz XYFWXFDJHGMGJE-UHFFFAOYSA-N -1 1 390.429 1.249 20 0 GDADMM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1(c2ccccc2)CCC1 ZINC001571298029 946203251 /nfs/dbraw/zinc/20/32/51/946203251.db2.gz HPGPMZAKYMIIRA-OAHLLOKOSA-N -1 1 390.451 1.474 20 0 GDADMM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1(c2ccccc2)CCC1 ZINC001571298029 946203257 /nfs/dbraw/zinc/20/32/57/946203257.db2.gz HPGPMZAKYMIIRA-OAHLLOKOSA-N -1 1 390.451 1.474 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)C1Cc2ccccc2C1 ZINC001571298487 946219629 /nfs/dbraw/zinc/21/96/29/946219629.db2.gz PINAHZAAGYUHNJ-INIZCTEOSA-N -1 1 390.451 1.157 20 0 GDADMM C[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)c1csc(Cl)c1 ZINC001571298611 946221749 /nfs/dbraw/zinc/22/17/49/946221749.db2.gz BNNWPVVVNZPBFF-WCBMZHEXSA-N -1 1 390.860 1.509 20 0 GDADMM O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822945798 946229135 /nfs/dbraw/zinc/22/91/35/946229135.db2.gz RFZVWSTYMYRDHB-UHFFFAOYSA-N -1 1 396.436 1.679 20 0 GDADMM O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822945798 946229145 /nfs/dbraw/zinc/22/91/45/946229145.db2.gz RFZVWSTYMYRDHB-UHFFFAOYSA-N -1 1 396.436 1.679 20 0 GDADMM Cc1nsc(N2CC[C@@H](NC(=O)c3ccc(Cl)cn3)C2)c1-c1nn[n-]n1 ZINC001571299032 946238164 /nfs/dbraw/zinc/23/81/64/946238164.db2.gz HQFJMVLEFLWNGB-SNVBAGLBSA-N -1 1 390.860 1.689 20 0 GDADMM O=C(N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)[C@@H]1CCc2ccccc2C1 ZINC001571299177 946240488 /nfs/dbraw/zinc/24/04/88/946240488.db2.gz USSARNOLKBZGRQ-CVEARBPZSA-N -1 1 390.451 1.157 20 0 GDADMM O=C(N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)[C@@H]1CCc2ccccc2C1 ZINC001571299177 946240498 /nfs/dbraw/zinc/24/04/98/946240498.db2.gz USSARNOLKBZGRQ-CVEARBPZSA-N -1 1 390.451 1.157 20 0 GDADMM C[C@H]1CN(C(=O)c2csc(Cl)c2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571299649 946257062 /nfs/dbraw/zinc/25/70/62/946257062.db2.gz OFBWWBVRVWEQKC-GZMMTYOYSA-N -1 1 390.860 1.944 20 0 GDADMM C[C@H]1CN(C(=O)c2csc(Cl)c2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571299649 946257071 /nfs/dbraw/zinc/25/70/71/946257071.db2.gz OFBWWBVRVWEQKC-GZMMTYOYSA-N -1 1 390.860 1.944 20 0 GDADMM O=C(c1cscc1Cl)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571299694 946259736 /nfs/dbraw/zinc/25/97/36/946259736.db2.gz OPZFMFUECOUSKP-VIFPVBQESA-N -1 1 390.860 1.946 20 0 GDADMM O=C(c1cscc1Cl)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571299694 946259741 /nfs/dbraw/zinc/25/97/41/946259741.db2.gz OPZFMFUECOUSKP-VIFPVBQESA-N -1 1 390.860 1.946 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)c3ccc(C4CC4)cc3)C2)n1 ZINC001571299822 946263655 /nfs/dbraw/zinc/26/36/55/946263655.db2.gz VRKUIHTVBRTKAU-INIZCTEOSA-N -1 1 390.451 1.851 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)c3ccc(C4CC4)cc3)C2)n1 ZINC001571299822 946263664 /nfs/dbraw/zinc/26/36/64/946263664.db2.gz VRKUIHTVBRTKAU-INIZCTEOSA-N -1 1 390.451 1.851 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1csc(Cl)c1 ZINC001571299882 946265171 /nfs/dbraw/zinc/26/51/71/946265171.db2.gz QFJJWFFOZPIPBK-SCZZXKLOSA-N -1 1 390.860 1.509 20 0 GDADMM C[C@@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CN1C(=O)c1cccc2c1CCC2 ZINC001571300109 946271482 /nfs/dbraw/zinc/27/14/82/946271482.db2.gz ZMIVALJMSORGLC-OCCSQVGLSA-N -1 1 390.451 1.861 20 0 GDADMM C[C@@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CN1C(=O)c1cccc2c1CCC2 ZINC001571300109 946271491 /nfs/dbraw/zinc/27/14/91/946271491.db2.gz ZMIVALJMSORGLC-OCCSQVGLSA-N -1 1 390.451 1.861 20 0 GDADMM CC(=O)N[C@@H]1C[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)Oc2ccccc21 ZINC001573495188 946307925 /nfs/dbraw/zinc/30/79/25/946307925.db2.gz OXYMYSCIXKDBBI-DNVCBOLYSA-N -1 1 392.423 1.266 20 0 GDADMM CC(=O)N[C@@H]1C[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)Oc2ccccc21 ZINC001573495188 946307935 /nfs/dbraw/zinc/30/79/35/946307935.db2.gz OXYMYSCIXKDBBI-DNVCBOLYSA-N -1 1 392.423 1.266 20 0 GDADMM COc1ncc(NC(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C)cc1-c1nn[n-]n1 ZINC001571302969 946320386 /nfs/dbraw/zinc/32/03/86/946320386.db2.gz GCGFVYLKKUUGRS-JTQLQIEISA-N -1 1 391.432 1.712 20 0 GDADMM O=C(c1ccc(C2CC2)cn1)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571303601 946343059 /nfs/dbraw/zinc/34/30/59/946343059.db2.gz UGAHIHXSAZPINI-AWEZNQCLSA-N -1 1 391.439 1.646 20 0 GDADMM O=C(c1ccc(C2CC2)cn1)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571303601 946343094 /nfs/dbraw/zinc/34/30/94/946343094.db2.gz UGAHIHXSAZPINI-AWEZNQCLSA-N -1 1 391.439 1.646 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@H]3[C@H]2CCN3c2ccc(-c3nnn[n-]3)nn2)cn1 ZINC001571303675 946345641 /nfs/dbraw/zinc/34/56/41/946345641.db2.gz VIFVDDIKDVOGLQ-JKSUJKDBSA-N -1 1 391.439 1.244 20 0 GDADMM Cc1ccc(C(=O)N2CCC[C@H]3[C@H]2CCN3c2ccc(-c3nn[n-]n3)nn2)cn1 ZINC001571303675 946345655 /nfs/dbraw/zinc/34/56/55/946345655.db2.gz VIFVDDIKDVOGLQ-JKSUJKDBSA-N -1 1 391.439 1.244 20 0 GDADMM O=C(NC[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1)c1ncccn1 ZINC001571305865 946378936 /nfs/dbraw/zinc/37/89/36/946378936.db2.gz MEUYJHDAJUDOKJ-QMMMGPOBSA-N -1 1 391.848 1.023 20 0 GDADMM CO[C@@H]1CCC[C@H](C(=O)N2CCN(c3snc(C)c3-c3nn[n-]n3)CC2)C1 ZINC001571306322 946396087 /nfs/dbraw/zinc/39/60/87/946396087.db2.gz SQIVLAZTOARSAD-QWHCGFSZSA-N -1 1 391.501 1.485 20 0 GDADMM O=C(N[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1)c1ccccc1O ZINC001571306313 946396534 /nfs/dbraw/zinc/39/65/34/946396534.db2.gz SLTFLBDURBJIIO-MRVPVSSYSA-N -1 1 391.844 1.691 20 0 GDADMM Cc1nnccc1C(=O)N[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571306515 946401897 /nfs/dbraw/zinc/40/18/97/946401897.db2.gz WELJPRHMZIKCRA-MRVPVSSYSA-N -1 1 391.848 1.084 20 0 GDADMM Cc1nsc(NC[C@@H]2CN(C(=O)[C@@H]3CCCCO3)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571306697 946407357 /nfs/dbraw/zinc/40/73/57/946407357.db2.gz ZROQOLINZKVALG-RTXFEEFZSA-N -1 1 391.501 1.707 20 0 GDADMM CN(C(=O)[C@H]1C[C@@H]1C(F)F)C1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001571308387 946433764 /nfs/dbraw/zinc/43/37/64/946433764.db2.gz PKXFDOMQSKKHJF-QQFIATSDSA-N -1 1 392.414 1.739 20 0 GDADMM CN(C(=O)[C@H]1C[C@@H]1C(F)F)C1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001571308387 946433773 /nfs/dbraw/zinc/43/37/73/946433773.db2.gz PKXFDOMQSKKHJF-QQFIATSDSA-N -1 1 392.414 1.739 20 0 GDADMM CC(F)(F)C1(C(=O)N2CC[C@H](CCNc3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571308561 946435658 /nfs/dbraw/zinc/43/56/58/946435658.db2.gz QYLRXGOLUBNSEG-NSHDSACASA-N -1 1 392.414 1.165 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)[C@@H]3CCCC(F)(F)C3)C2)n1 ZINC001571308618 946436331 /nfs/dbraw/zinc/43/63/31/946436331.db2.gz SLGOMLJAKUXSTE-NEPJUHHUSA-N -1 1 392.414 1.803 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)[C@@H]3CCCC(F)(F)C3)C2)n1 ZINC001571308618 946436332 /nfs/dbraw/zinc/43/63/32/946436332.db2.gz SLGOMLJAKUXSTE-NEPJUHHUSA-N -1 1 392.414 1.803 20 0 GDADMM CN(C[C@@H]1CCCN(C(=O)C2CC(F)(F)C2)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571308870 946437934 /nfs/dbraw/zinc/43/79/34/946437934.db2.gz UBMMNJJCLQTWIK-NSHDSACASA-N -1 1 392.414 1.377 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NCC2CCN(C(=O)[C@@H]3CCC3(F)F)CC2)n1 ZINC001571309069 946439102 /nfs/dbraw/zinc/43/91/02/946439102.db2.gz WMGNLVSZCHTPCN-LBPRGKRZSA-N -1 1 392.414 1.661 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NCC2CCN(C(=O)[C@@H]3CCC3(F)F)CC2)n1 ZINC001571309069 946439110 /nfs/dbraw/zinc/43/91/10/946439110.db2.gz WMGNLVSZCHTPCN-LBPRGKRZSA-N -1 1 392.414 1.661 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](CNC(=O)[C@@H]3CCC3(F)F)C2)n1 ZINC001571309373 946441852 /nfs/dbraw/zinc/44/18/52/946441852.db2.gz YQABDCWNHJMNOK-NEPJUHHUSA-N -1 1 392.414 1.343 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](CNC(=O)[C@@H]3CCC3(F)F)C2)n1 ZINC001571309373 946441861 /nfs/dbraw/zinc/44/18/61/946441861.db2.gz YQABDCWNHJMNOK-NEPJUHHUSA-N -1 1 392.414 1.343 20 0 GDADMM O=C([C@@H]1CCC(F)(F)C1)N1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571309370 946442263 /nfs/dbraw/zinc/44/22/63/946442263.db2.gz YKDXPOQYKWXCFX-VXGBXAGGSA-N -1 1 392.414 1.307 20 0 GDADMM COc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001571309592 946449765 /nfs/dbraw/zinc/44/97/65/946449765.db2.gz FARYSHNJEDQFOA-OKILXGFUSA-N -1 1 392.423 1.159 20 0 GDADMM COc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001571309592 946449775 /nfs/dbraw/zinc/44/97/75/946449775.db2.gz FARYSHNJEDQFOA-OKILXGFUSA-N -1 1 392.423 1.159 20 0 GDADMM O=C(C[C@H]1CCC(F)(F)C1)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571310255 946465398 /nfs/dbraw/zinc/46/53/98/946465398.db2.gz ZVBOYYHOOKMBEU-GFCCVEGCSA-N -1 1 392.414 1.521 20 0 GDADMM O=C(NC[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)[C@H]1CCC(F)(F)C1 ZINC001571310232 946465429 /nfs/dbraw/zinc/46/54/29/946465429.db2.gz ZDFVMLQONOAGFU-RYUDHWBXSA-N -1 1 392.414 1.425 20 0 GDADMM O=C(NC[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)[C@H]1CCC(F)(F)C1 ZINC001571310232 946465434 /nfs/dbraw/zinc/46/54/34/946465434.db2.gz ZDFVMLQONOAGFU-RYUDHWBXSA-N -1 1 392.414 1.425 20 0 GDADMM CCc1ccc([C@H](C)NC(=O)Cn2c3c(cc(-c4nn[n-]n4)c2=O)CCC3)cc1 ZINC001571310407 946470333 /nfs/dbraw/zinc/47/03/33/946470333.db2.gz FDCAAKKKGRHSCW-ZDUSSCGKSA-N -1 1 392.463 1.957 20 0 GDADMM CC(C)(Cc1ccccc1)C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571311004 946481677 /nfs/dbraw/zinc/48/16/77/946481677.db2.gz PIUUFABYAMUNJU-OAHLLOKOSA-N -1 1 392.467 1.938 20 0 GDADMM CC(C)(Cc1ccccc1)C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571311004 946481680 /nfs/dbraw/zinc/48/16/80/946481680.db2.gz PIUUFABYAMUNJU-OAHLLOKOSA-N -1 1 392.467 1.938 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1ccc2c(c1)COC2 ZINC001571312633 946498647 /nfs/dbraw/zinc/49/86/47/946498647.db2.gz JIODQZAPWYLXOI-FUKZOUPISA-N -1 1 392.423 1.307 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1ccc2c(c1)COC2 ZINC001571312633 946498655 /nfs/dbraw/zinc/49/86/55/946498655.db2.gz JIODQZAPWYLXOI-FUKZOUPISA-N -1 1 392.423 1.307 20 0 GDADMM CC[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571312939 946504684 /nfs/dbraw/zinc/50/46/84/946504684.db2.gz FXSGGXFBTPBSQT-JKSUJKDBSA-N -1 1 392.467 1.938 20 0 GDADMM CC[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571312939 946504695 /nfs/dbraw/zinc/50/46/95/946504695.db2.gz FXSGGXFBTPBSQT-JKSUJKDBSA-N -1 1 392.467 1.938 20 0 GDADMM CCCc1ccc(C(=O)N[C@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)cc1 ZINC001571313732 946529760 /nfs/dbraw/zinc/52/97/60/946529760.db2.gz VAARDNFXPHARAA-INIZCTEOSA-N -1 1 392.467 1.926 20 0 GDADMM CCCc1ccc(C(=O)N[C@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571313732 946529772 /nfs/dbraw/zinc/52/97/72/946529772.db2.gz VAARDNFXPHARAA-INIZCTEOSA-N -1 1 392.467 1.926 20 0 GDADMM CCc1ccc([C@@H](C)C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571313854 946534341 /nfs/dbraw/zinc/53/43/41/946534341.db2.gz XEDDVIQLYRWLMO-CJNGLKHVSA-N -1 1 392.467 1.718 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001571314071 946543354 /nfs/dbraw/zinc/54/33/54/946543354.db2.gz ZROMPUIAPURUEX-GOEBONIOSA-N -1 1 392.467 1.888 20 0 GDADMM Cc1ccc(CCC(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c(C)c1 ZINC001571315003 946547579 /nfs/dbraw/zinc/54/75/79/946547579.db2.gz GFPKTUZMTXXLHS-MRXNPFEDSA-N -1 1 392.467 1.919 20 0 GDADMM Cc1ccc(CCC(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c(C)c1 ZINC001571315003 946547589 /nfs/dbraw/zinc/54/75/89/946547589.db2.gz GFPKTUZMTXXLHS-MRXNPFEDSA-N -1 1 392.467 1.919 20 0 GDADMM Cc1ccccc1CC(=O)N1CC[C@@H]([C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571316686 946584467 /nfs/dbraw/zinc/58/44/67/946584467.db2.gz JZEVVPIMQIMZPK-GDBMZVCRSA-N -1 1 392.467 1.857 20 0 GDADMM Cc1ccccc1CC(=O)N1CC[C@@H]([C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571316686 946584471 /nfs/dbraw/zinc/58/44/71/946584471.db2.gz JZEVVPIMQIMZPK-GDBMZVCRSA-N -1 1 392.467 1.857 20 0 GDADMM O=C(Cc1ccccc1)N1CCC[C@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001571317133 946601130 /nfs/dbraw/zinc/60/11/30/946601130.db2.gz WCNYOXDCKZUQLV-MRXNPFEDSA-N -1 1 392.467 1.940 20 0 GDADMM O=C(Cc1ccccc1)N1CCC[C@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001571317133 946601135 /nfs/dbraw/zinc/60/11/35/946601135.db2.gz WCNYOXDCKZUQLV-MRXNPFEDSA-N -1 1 392.467 1.940 20 0 GDADMM Cn1ccc(C(=O)NC[C@@H]2CCCN2c2snc(Cl)c2-c2nnn[n-]2)c1 ZINC001571317611 946615776 /nfs/dbraw/zinc/61/57/76/946615776.db2.gz OGUKCYOBAVBHRT-JTQLQIEISA-N -1 1 392.876 1.714 20 0 GDADMM Cn1ccc(C(=O)NC[C@@H]2CCCN2c2snc(Cl)c2-c2nn[n-]n2)c1 ZINC001571317611 946615784 /nfs/dbraw/zinc/61/57/84/946615784.db2.gz OGUKCYOBAVBHRT-JTQLQIEISA-N -1 1 392.876 1.714 20 0 GDADMM CC(=O)Nc1ccc2c(c1)CN(S(=O)(=O)c1ccc(-c3nn[n-]n3)o1)CC2 ZINC001573547017 946826858 /nfs/dbraw/zinc/82/68/58/946826858.db2.gz UCBBIJJWMFLGQC-UHFFFAOYSA-N -1 1 388.409 1.165 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)N[C@H](c2ccccc2)C2CC2)c1-c1nn[n-]n1 ZINC000825565175 947224383 /nfs/dbraw/zinc/22/43/83/947224383.db2.gz NQVNWOJCYZUQAQ-MRXNPFEDSA-N -1 1 395.423 1.507 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)Nc2cc(C)ccc2OC)c1-c1nn[n-]n1 ZINC000825565161 947225379 /nfs/dbraw/zinc/22/53/79/947225379.db2.gz NBKHOUGKCYWLNU-UHFFFAOYSA-N -1 1 385.384 1.196 20 0 GDADMM CCOC(=O)c1cnn(Cc2nc(-c3ccc(CC)cc3)no2)c1-c1nn[n-]n1 ZINC000825570580 947232020 /nfs/dbraw/zinc/23/20/20/947232020.db2.gz LIXQWFXCKTWOLT-UHFFFAOYSA-N -1 1 394.395 1.901 20 0 GDADMM CCOC(=O)c1cnn(CCCOc2ccc3c(c2)OCO3)c1-c1nn[n-]n1 ZINC000825571030 947233101 /nfs/dbraw/zinc/23/31/01/947233101.db2.gz SPEPABLXUAPAPU-UHFFFAOYSA-N -1 1 386.368 1.438 20 0 GDADMM CCOC(=O)c1cnn(Cc2nc(Cc3ccccc3)no2)c1-c1nn[n-]n1 ZINC000825570930 947234917 /nfs/dbraw/zinc/23/49/17/947234917.db2.gz OPUBGPPYADIFKK-UHFFFAOYSA-N -1 1 380.368 1.262 20 0 GDADMM C=C/C(C)=C\CC(=O)NC1(CNc2cncc(-c3nnn[n-]3)n2)CCOCC1 ZINC001573316552 947278352 /nfs/dbraw/zinc/27/83/52/947278352.db2.gz ICMVVBDYLZMVHH-PQMHYQBVSA-N -1 1 384.444 1.256 20 0 GDADMM C=C/C(C)=C\CC(=O)NC1(CNc2cncc(-c3nn[n-]n3)n2)CCOCC1 ZINC001573316552 947278358 /nfs/dbraw/zinc/27/83/58/947278358.db2.gz ICMVVBDYLZMVHH-PQMHYQBVSA-N -1 1 384.444 1.256 20 0 GDADMM C=C/C(C)=C\CC(=O)N[C@@H]1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)[C@H]1C ZINC001573316843 947283428 /nfs/dbraw/zinc/28/34/28/947283428.db2.gz IJMYHLWYJYLEQZ-USJBSMOHSA-N -1 1 382.472 1.961 20 0 GDADMM C=C/C(C)=C\CC(=O)N[C@@H]1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)[C@H]1C ZINC001573316843 947283444 /nfs/dbraw/zinc/28/34/44/947283444.db2.gz IJMYHLWYJYLEQZ-USJBSMOHSA-N -1 1 382.472 1.961 20 0 GDADMM C=C/C(C)=C\CC(=O)N[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C[C@H]1O ZINC001573317739 947299128 /nfs/dbraw/zinc/29/91/28/947299128.db2.gz PDIAHZOMKSTMHC-DCKDXSSCSA-N -1 1 389.485 1.210 20 0 GDADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1nccnc1-c1nnn[n-]1)n1cccc1 ZINC001573591837 947323618 /nfs/dbraw/zinc/32/36/18/947323618.db2.gz GKVPBARKGLCENH-CYBMUJFWSA-N -1 1 383.460 1.616 20 0 GDADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1nccnc1-c1nn[n-]n1)n1cccc1 ZINC001573591837 947323631 /nfs/dbraw/zinc/32/36/31/947323631.db2.gz GKVPBARKGLCENH-CYBMUJFWSA-N -1 1 383.460 1.616 20 0 GDADMM C[C@@H](C(=O)N(C)C1CC(Nc2nccnc2-c2nnn[n-]2)C1)c1ccsc1 ZINC001573593107 947362806 /nfs/dbraw/zinc/36/28/06/947362806.db2.gz IMTKYSFIRUMUEE-QFWMXSHPSA-N -1 1 384.469 1.923 20 0 GDADMM C[C@@H](C(=O)N(C)C1CC(Nc2nccnc2-c2nn[n-]n2)C1)c1ccsc1 ZINC001573593107 947362821 /nfs/dbraw/zinc/36/28/21/947362821.db2.gz IMTKYSFIRUMUEE-QFWMXSHPSA-N -1 1 384.469 1.923 20 0 GDADMM C[C@H](C(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccsc1 ZINC001573594055 947386479 /nfs/dbraw/zinc/38/64/79/947386479.db2.gz WXFXENXZMCICEW-WCQYABFASA-N -1 1 384.469 1.559 20 0 GDADMM C[C@@H](C(=O)N(C)C1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573595699 947423819 /nfs/dbraw/zinc/42/38/19/947423819.db2.gz ZSLQHGSKPFEITG-VOMCLLRMSA-N -1 1 384.469 1.345 20 0 GDADMM CO[C@@H]1[C@H](C)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C1(C)C ZINC000826144526 947456713 /nfs/dbraw/zinc/45/67/13/947456713.db2.gz LWNACNWKHXVREO-PPKCKEKNSA-N -1 1 378.458 1.479 20 0 GDADMM C[C@H](C(=O)N(C)CCN(C)c1cncc(-c2nnn[n-]2)n1)c1cccc(F)c1 ZINC001573603564 947492395 /nfs/dbraw/zinc/49/23/95/947492395.db2.gz NJEAYHDMOKZIIM-LBPRGKRZSA-N -1 1 384.419 1.494 20 0 GDADMM C[C@H](C(=O)N(C)CCN(C)c1cncc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001573603564 947492405 /nfs/dbraw/zinc/49/24/05/947492405.db2.gz NJEAYHDMOKZIIM-LBPRGKRZSA-N -1 1 384.419 1.494 20 0 GDADMM COCCCOc1cccc(CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)c1 ZINC000826157221 947497854 /nfs/dbraw/zinc/49/78/54/947497854.db2.gz LZZVTADJSVZNAK-UHFFFAOYSA-N -1 1 386.412 1.437 20 0 GDADMM COCCCOc1cccc(CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)c1 ZINC000826157221 947497864 /nfs/dbraw/zinc/49/78/64/947497864.db2.gz LZZVTADJSVZNAK-UHFFFAOYSA-N -1 1 386.412 1.437 20 0 GDADMM COCCN(CCCc1ccccc1)C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000826158151 947498093 /nfs/dbraw/zinc/49/80/93/947498093.db2.gz CLRNNFFRQFHTDW-UHFFFAOYSA-N -1 1 384.440 1.813 20 0 GDADMM COCCN(CCCc1ccccc1)C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000826158151 947498099 /nfs/dbraw/zinc/49/80/99/947498099.db2.gz CLRNNFFRQFHTDW-UHFFFAOYSA-N -1 1 384.440 1.813 20 0 GDADMM COCCOc1cc(C)ccc1CNC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000826161001 947506317 /nfs/dbraw/zinc/50/63/17/947506317.db2.gz PJPZQSBMJPISLH-UHFFFAOYSA-N -1 1 386.412 1.356 20 0 GDADMM COCCOc1cc(C)ccc1CNC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000826161001 947506326 /nfs/dbraw/zinc/50/63/26/947506326.db2.gz PJPZQSBMJPISLH-UHFFFAOYSA-N -1 1 386.412 1.356 20 0 GDADMM COc1ccc(C[C@@H](C)C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000826190429 947582483 /nfs/dbraw/zinc/58/24/83/947582483.db2.gz BCEPAGAILWYAFL-GFCCVEGCSA-N -1 1 398.471 1.450 20 0 GDADMM COc1ccc(C[C@@H](C)C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000826190429 947582488 /nfs/dbraw/zinc/58/24/88/947582488.db2.gz BCEPAGAILWYAFL-GFCCVEGCSA-N -1 1 398.471 1.450 20 0 GDADMM C[C@H](C(=O)N1CC[C@@](C)(CNc2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001573615220 947601384 /nfs/dbraw/zinc/60/13/84/947601384.db2.gz JHZXMOZCYIONBN-ACJLOTCBSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@H](C(=O)N1CC[C@@](C)(CNc2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001573615220 947601393 /nfs/dbraw/zinc/60/13/93/947601393.db2.gz JHZXMOZCYIONBN-ACJLOTCBSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)c1ccsc1 ZINC001573616768 947626686 /nfs/dbraw/zinc/62/66/86/947626686.db2.gz NMEOVHPGSDHRNX-NEPJUHHUSA-N -1 1 384.469 1.782 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)c1ccsc1 ZINC001573616768 947626691 /nfs/dbraw/zinc/62/66/91/947626691.db2.gz NMEOVHPGSDHRNX-NEPJUHHUSA-N -1 1 384.469 1.782 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001573352184 947628161 /nfs/dbraw/zinc/62/81/61/947628161.db2.gz XVOKNEAXBVZXDV-CQSZACIVSA-N -1 1 376.424 1.874 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001573352184 947628166 /nfs/dbraw/zinc/62/81/66/947628166.db2.gz XVOKNEAXBVZXDV-CQSZACIVSA-N -1 1 376.424 1.874 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001573354331 947630727 /nfs/dbraw/zinc/63/07/27/947630727.db2.gz AKSVGOTWXKXWPF-HNNXBMFYSA-N -1 1 390.451 1.946 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001573354331 947630736 /nfs/dbraw/zinc/63/07/36/947630736.db2.gz AKSVGOTWXKXWPF-HNNXBMFYSA-N -1 1 390.451 1.946 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CN(C)c2cncc(-c3nnn[n-]3)n2)C1)C(C)(F)F ZINC001573618997 947660077 /nfs/dbraw/zinc/66/00/77/947660077.db2.gz UXNXTNOHDRGCHW-GHMZBOCLSA-N -1 1 380.403 1.233 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CN(C)c2cncc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573618997 947660084 /nfs/dbraw/zinc/66/00/84/947660084.db2.gz UXNXTNOHDRGCHW-GHMZBOCLSA-N -1 1 380.403 1.233 20 0 GDADMM C[C@H](C(=O)N1CCC(N(C)c2ccnc(-c3nn[n-]n3)n2)CC1)c1ccco1 ZINC001573619894 947674833 /nfs/dbraw/zinc/67/48/33/947674833.db2.gz YQQAZNGJTFWDGE-LBPRGKRZSA-N -1 1 382.428 1.481 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCC(=O)OCC(C)C ZINC000826233047 947682823 /nfs/dbraw/zinc/68/28/23/947682823.db2.gz RRRMLJHCGQUBKC-UHFFFAOYSA-N -1 1 377.401 1.259 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1F ZINC001573626550 947709607 /nfs/dbraw/zinc/70/96/07/947709607.db2.gz VDMZHBOQOMVBCR-VXGBXAGGSA-N -1 1 382.403 1.612 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1F ZINC001573626550 947709613 /nfs/dbraw/zinc/70/96/13/947709613.db2.gz VDMZHBOQOMVBCR-VXGBXAGGSA-N -1 1 382.403 1.612 20 0 GDADMM Cc1cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)ccc1O ZINC000826258119 947745107 /nfs/dbraw/zinc/74/51/07/947745107.db2.gz ACIXPMWNKIXURF-LBPRGKRZSA-N -1 1 380.412 1.022 20 0 GDADMM Cc1cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)ccc1O ZINC000826258119 947745114 /nfs/dbraw/zinc/74/51/14/947745114.db2.gz ACIXPMWNKIXURF-LBPRGKRZSA-N -1 1 380.412 1.022 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cccs1 ZINC001573628176 947748577 /nfs/dbraw/zinc/74/85/77/947748577.db2.gz GCQLLSXBPULLJO-NEPJUHHUSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573628176 947748584 /nfs/dbraw/zinc/74/85/84/947748584.db2.gz GCQLLSXBPULLJO-NEPJUHHUSA-N -1 1 384.469 1.925 20 0 GDADMM CC(=O)CCCC(=O)N1C[C@H](Nc2snc(C)c2-c2nn[n-]n2)C[C@@H]1C ZINC001573367468 947760192 /nfs/dbraw/zinc/76/01/92/947760192.db2.gz CZYBWCPCWZUKEL-JOYOIKCWSA-N -1 1 377.474 1.792 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccnc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573628622 947760465 /nfs/dbraw/zinc/76/04/65/947760465.db2.gz NAIOEQXQJKNNOB-MCIONIFRSA-N -1 1 384.488 1.909 20 0 GDADMM CC(=O)CCCC(=O)N1CCC(C)(Nc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573368027 947766516 /nfs/dbraw/zinc/76/65/16/947766516.db2.gz LBYFQKBKGYQXRK-UHFFFAOYSA-N -1 1 386.460 1.517 20 0 GDADMM CC(=O)CCCC(=O)N1CCC(C)(Nc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573368027 947766522 /nfs/dbraw/zinc/76/65/22/947766522.db2.gz LBYFQKBKGYQXRK-UHFFFAOYSA-N -1 1 386.460 1.517 20 0 GDADMM CC(=O)CCCC(=O)N(C)[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573369139 947769876 /nfs/dbraw/zinc/76/98/76/947769876.db2.gz QMZNCLIYXOGXNA-GFCCVEGCSA-N -1 1 377.474 1.428 20 0 GDADMM C[C@H](C(=O)N1CC[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1)C(C)(F)F ZINC001573629018 947769997 /nfs/dbraw/zinc/76/99/97/947769997.db2.gz LNYWJFSTHYQYRF-DIFFPNOSSA-N -1 1 392.414 1.377 20 0 GDADMM C[C@H](C(=O)N1CC[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1)C(C)(F)F ZINC001573629018 947770002 /nfs/dbraw/zinc/77/00/02/947770002.db2.gz LNYWJFSTHYQYRF-DIFFPNOSSA-N -1 1 392.414 1.377 20 0 GDADMM CC(=O)CCCC(=O)N1C[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001573369269 947773037 /nfs/dbraw/zinc/77/30/37/947773037.db2.gz SNQUFURSMXKSIO-BXUZGUMPSA-N -1 1 386.460 1.231 20 0 GDADMM CC(=O)CCCC(=O)N1C[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001573369269 947773046 /nfs/dbraw/zinc/77/30/46/947773046.db2.gz SNQUFURSMXKSIO-BXUZGUMPSA-N -1 1 386.460 1.231 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)C(C)(F)F ZINC001573629117 947773215 /nfs/dbraw/zinc/77/32/15/947773215.db2.gz MFYKRTWUKBHIIP-MNOVXSKESA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573629117 947773226 /nfs/dbraw/zinc/77/32/26/947773226.db2.gz MFYKRTWUKBHIIP-MNOVXSKESA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]2[C@H]1CCN2c1nccnc1-c1nnn[n-]1)C(C)(C)C ZINC001573629176 947774180 /nfs/dbraw/zinc/77/41/80/947774180.db2.gz RAPWYVRADRXKIU-HZSPNIEDSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]2[C@H]1CCN2c1nccnc1-c1nn[n-]n1)C(C)(C)C ZINC001573629176 947774183 /nfs/dbraw/zinc/77/41/83/947774183.db2.gz RAPWYVRADRXKIU-HZSPNIEDSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](CN(C)c2ccnc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573629249 947775737 /nfs/dbraw/zinc/77/57/37/947775737.db2.gz MZDSLIGLDQSLKH-KGLIPLIRSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@H]1Cc1ccc(O)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001573629374 947777165 /nfs/dbraw/zinc/77/71/65/947777165.db2.gz SHTAWLWHSIOZML-OCCSQVGLSA-N -1 1 382.428 1.349 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2 ZINC001573373071 947788603 /nfs/dbraw/zinc/78/86/03/947788603.db2.gz AITIDCOUYMEROP-ZIAGYGMSSA-N -1 1 384.444 1.255 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2 ZINC001573373071 947788609 /nfs/dbraw/zinc/78/86/09/947788609.db2.gz AITIDCOUYMEROP-ZIAGYGMSSA-N -1 1 384.444 1.255 20 0 GDADMM CC(=O)CCCC(=O)N1CCC(N(C)c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573373736 947799595 /nfs/dbraw/zinc/79/95/95/947799595.db2.gz KYMCIJYEZUBETD-UHFFFAOYSA-N -1 1 391.501 1.818 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001573374590 947809979 /nfs/dbraw/zinc/80/99/79/947809979.db2.gz OILQKJWATZOWCX-CQSZACIVSA-N -1 1 386.460 1.599 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001573374590 947809990 /nfs/dbraw/zinc/80/99/90/947809990.db2.gz OILQKJWATZOWCX-CQSZACIVSA-N -1 1 386.460 1.599 20 0 GDADMM C[C@H](C(=O)N1CC[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1)C(C)(C)C ZINC001573632104 947810249 /nfs/dbraw/zinc/81/02/49/947810249.db2.gz YZEMQJHUHAVYQQ-YJYMSZOUSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](C(=O)N1CC[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1)C(C)(C)C ZINC001573632104 947810256 /nfs/dbraw/zinc/81/02/56/947810256.db2.gz YZEMQJHUHAVYQQ-YJYMSZOUSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](C(=O)N1CC[C@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1)C(C)(F)F ZINC001573632113 947811018 /nfs/dbraw/zinc/81/10/18/947811018.db2.gz ZCHZAHRIQFTXFU-DIFFPNOSSA-N -1 1 392.414 1.377 20 0 GDADMM C[C@H](C(=O)N1CC[C@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1)C(C)(F)F ZINC001573632113 947811024 /nfs/dbraw/zinc/81/10/24/947811024.db2.gz ZCHZAHRIQFTXFU-DIFFPNOSSA-N -1 1 392.414 1.377 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@@H](C)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001573375219 947818023 /nfs/dbraw/zinc/81/80/23/947818023.db2.gz RRTVHXQNQIBCFP-DOMZBBRYSA-N -1 1 386.460 1.455 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@@H](C)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001573375219 947818032 /nfs/dbraw/zinc/81/80/32/947818032.db2.gz RRTVHXQNQIBCFP-DOMZBBRYSA-N -1 1 386.460 1.455 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@@H]([C@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573375704 947826890 /nfs/dbraw/zinc/82/68/90/947826890.db2.gz UBSJJQYWJBWNKE-UONOGXRCSA-N -1 1 386.460 1.455 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@@H]([C@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573375704 947826896 /nfs/dbraw/zinc/82/68/96/947826896.db2.gz UBSJJQYWJBWNKE-UONOGXRCSA-N -1 1 386.460 1.455 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)[C@H]1C ZINC001573376116 947829323 /nfs/dbraw/zinc/82/93/23/947829323.db2.gz WSBASWRNVMOFGD-VXGBXAGGSA-N -1 1 377.474 1.792 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CCCC1 ZINC001573376503 947838605 /nfs/dbraw/zinc/83/86/05/947838605.db2.gz VYNKYWAXOGMADQ-AWEZNQCLSA-N -1 1 386.460 1.503 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CCCC1 ZINC001573376503 947838612 /nfs/dbraw/zinc/83/86/12/947838612.db2.gz VYNKYWAXOGMADQ-AWEZNQCLSA-N -1 1 386.460 1.503 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21)C(C)(F)F ZINC001573638831 947844917 /nfs/dbraw/zinc/84/49/17/947844917.db2.gz WUKDGJSHPHXVKU-GRYCIOLGSA-N -1 1 392.414 1.375 20 0 GDADMM C[C@H](C(=O)N1CCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1)C1CCCC1 ZINC001573640058 947850671 /nfs/dbraw/zinc/85/06/71/947850671.db2.gz FEPQEOXOFPYKTR-JSGCOSHPSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H](C(=O)N1CCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1)C1CCCC1 ZINC001573640058 947850677 /nfs/dbraw/zinc/85/06/77/947850677.db2.gz FEPQEOXOFPYKTR-JSGCOSHPSA-N -1 1 386.460 1.122 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H](C)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573378104 947854717 /nfs/dbraw/zinc/85/47/17/947854717.db2.gz VURQQXCARLLJQK-KBPBESRZSA-N -1 1 386.460 1.137 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H](C)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573378104 947854725 /nfs/dbraw/zinc/85/47/25/947854725.db2.gz VURQQXCARLLJQK-KBPBESRZSA-N -1 1 386.460 1.137 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)[C@H](C)C1)C1CCCC1 ZINC001573647553 947896726 /nfs/dbraw/zinc/89/67/26/947896726.db2.gz OVRNBCPDTVFOHS-VNHYZAJKSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)[C@H](C)C1)C1CCCC1 ZINC001573647553 947896740 /nfs/dbraw/zinc/89/67/40/947896740.db2.gz OVRNBCPDTVFOHS-VNHYZAJKSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1)C1CCC1 ZINC001573650360 947908677 /nfs/dbraw/zinc/90/86/77/947908677.db2.gz AXHGVWRCTFTEAU-YUELXQCFSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C(C)(C)C)n1cccn1 ZINC001573652675 947943576 /nfs/dbraw/zinc/94/35/76/947943576.db2.gz GHRXIKQFRQBQNH-DGCLKSJQSA-N -1 1 384.448 1.057 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C(C)(C)C)n1cccn1 ZINC001573652675 947943584 /nfs/dbraw/zinc/94/35/84/947943584.db2.gz GHRXIKQFRQBQNH-DGCLKSJQSA-N -1 1 384.448 1.057 20 0 GDADMM CC(C(=O)N[C@H](C)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)=C1CCC1 ZINC001573653646 947958882 /nfs/dbraw/zinc/95/88/82/947958882.db2.gz MRQZPMPBZWKZHQ-UKRRQHHQSA-N -1 1 382.472 1.878 20 0 GDADMM CC(C(=O)N[C@H](C)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)=C1CCC1 ZINC001573653646 947958895 /nfs/dbraw/zinc/95/88/95/947958895.db2.gz MRQZPMPBZWKZHQ-UKRRQHHQSA-N -1 1 382.472 1.878 20 0 GDADMM Cc1onc(CC(=O)N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)c1-c1nnn[n-]1 ZINC000826342966 947986960 /nfs/dbraw/zinc/98/69/60/947986960.db2.gz HHTQNRKAVAGTDQ-GFVXYOJSSA-N -1 1 388.453 1.663 20 0 GDADMM Cc1onc(CC(=O)N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)c1-c1nn[n-]n1 ZINC000826342966 947986968 /nfs/dbraw/zinc/98/69/68/947986968.db2.gz HHTQNRKAVAGTDQ-GFVXYOJSSA-N -1 1 388.453 1.663 20 0 GDADMM Cc1onc(CC(=O)N(Cc2ccncc2)C[C@@H]2CCCO2)c1-c1nnn[n-]1 ZINC000826344106 948003191 /nfs/dbraw/zinc/00/31/91/948003191.db2.gz XLUFMCYJCOWEIU-AWEZNQCLSA-N -1 1 383.412 1.308 20 0 GDADMM Cc1onc(CC(=O)N(Cc2ccncc2)C[C@@H]2CCCO2)c1-c1nn[n-]n1 ZINC000826344106 948003204 /nfs/dbraw/zinc/00/32/04/948003204.db2.gz XLUFMCYJCOWEIU-AWEZNQCLSA-N -1 1 383.412 1.308 20 0 GDADMM C[C@@H](C(=O)NC1(C)CCN(c2nccnc2-c2nnn[n-]2)CC1)C1CCCC1 ZINC001573658647 948009484 /nfs/dbraw/zinc/00/94/84/948009484.db2.gz SPNSIVDFVQNNRZ-CYBMUJFWSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](C(=O)NC1(C)CCN(c2nccnc2-c2nn[n-]n2)CC1)C1CCCC1 ZINC001573658647 948009493 /nfs/dbraw/zinc/00/94/93/948009493.db2.gz SPNSIVDFVQNNRZ-CYBMUJFWSA-N -1 1 384.488 1.958 20 0 GDADMM Cc1onc(CC(=O)N[C@H](C)CC(=O)OCc2ccccc2)c1-c1nnn[n-]1 ZINC000826345037 948019090 /nfs/dbraw/zinc/01/90/90/948019090.db2.gz AAQRLSDWYLRCOO-LLVKDONJSA-N -1 1 384.396 1.344 20 0 GDADMM Cc1onc(CC(=O)N[C@H](C)CC(=O)OCc2ccccc2)c1-c1nn[n-]n1 ZINC000826345037 948019102 /nfs/dbraw/zinc/01/91/02/948019102.db2.gz AAQRLSDWYLRCOO-LLVKDONJSA-N -1 1 384.396 1.344 20 0 GDADMM Cc1onc(CC(=O)N[C@H](CN2CCCC2=O)c2ccccc2)c1-c1nnn[n-]1 ZINC000826345370 948023961 /nfs/dbraw/zinc/02/39/61/948023961.db2.gz KBBSUQZFOIVBLW-OAHLLOKOSA-N -1 1 395.423 1.186 20 0 GDADMM Cc1onc(CC(=O)N[C@H](CN2CCCC2=O)c2ccccc2)c1-c1nn[n-]n1 ZINC000826345370 948023970 /nfs/dbraw/zinc/02/39/70/948023970.db2.gz KBBSUQZFOIVBLW-OAHLLOKOSA-N -1 1 395.423 1.186 20 0 GDADMM Cc1onc(CC(=O)NCC(=O)Nc2ccc(Cl)cc2)c1-c1nnn[n-]1 ZINC000826346922 948045850 /nfs/dbraw/zinc/04/58/50/948045850.db2.gz YWVUGIXRVZTAQY-UHFFFAOYSA-N -1 1 375.776 1.114 20 0 GDADMM Cc1onc(CC(=O)NCC(=O)Nc2ccc(Cl)cc2)c1-c1nn[n-]n1 ZINC000826346922 948045867 /nfs/dbraw/zinc/04/58/67/948045867.db2.gz YWVUGIXRVZTAQY-UHFFFAOYSA-N -1 1 375.776 1.114 20 0 GDADMM Cc1onc(CC(=O)NC[C@H](C)Oc2cccc(Cl)c2)c1-c1nnn[n-]1 ZINC000826346919 948045922 /nfs/dbraw/zinc/04/59/22/948045922.db2.gz YVEBVZVJOAFUHZ-VIFPVBQESA-N -1 1 376.804 1.943 20 0 GDADMM Cc1onc(CC(=O)NC[C@H](C)Oc2cccc(Cl)c2)c1-c1nn[n-]n1 ZINC000826346919 948045937 /nfs/dbraw/zinc/04/59/37/948045937.db2.gz YVEBVZVJOAFUHZ-VIFPVBQESA-N -1 1 376.804 1.943 20 0 GDADMM Cc1onc(CC(=O)NCCCN(C(=O)C2CCC2)C2CC2)c1-c1nnn[n-]1 ZINC000826347426 948052944 /nfs/dbraw/zinc/05/29/44/948052944.db2.gz QPHHWOSABDVXPC-UHFFFAOYSA-N -1 1 387.444 1.003 20 0 GDADMM Cc1onc(CC(=O)NCCCN(C(=O)C2CCC2)C2CC2)c1-c1nn[n-]n1 ZINC000826347426 948052953 /nfs/dbraw/zinc/05/29/53/948052953.db2.gz QPHHWOSABDVXPC-UHFFFAOYSA-N -1 1 387.444 1.003 20 0 GDADMM Cc1onc(CC(=O)NCCCc2nc3c(s2)CCCC3)c1-c1nnn[n-]1 ZINC000826347495 948056116 /nfs/dbraw/zinc/05/61/16/948056116.db2.gz SZAXIGBKFXVZIK-UHFFFAOYSA-N -1 1 387.469 1.790 20 0 GDADMM Cc1onc(CC(=O)NCCCc2nc3c(s2)CCCC3)c1-c1nn[n-]n1 ZINC000826347495 948056127 /nfs/dbraw/zinc/05/61/27/948056127.db2.gz SZAXIGBKFXVZIK-UHFFFAOYSA-N -1 1 387.469 1.790 20 0 GDADMM Cc1onc(CC(=O)NCc2cn(C)nc2-c2ccccc2)c1-c1nnn[n-]1 ZINC000826348178 948067593 /nfs/dbraw/zinc/06/75/93/948067593.db2.gz YNTBPHPNDGHDFF-UHFFFAOYSA-N -1 1 378.396 1.423 20 0 GDADMM Cc1onc(CC(=O)NCc2cn(C)nc2-c2ccccc2)c1-c1nn[n-]n1 ZINC000826348178 948067603 /nfs/dbraw/zinc/06/76/03/948067603.db2.gz YNTBPHPNDGHDFF-UHFFFAOYSA-N -1 1 378.396 1.423 20 0 GDADMM Cc1onc(CC(=O)N[C@H](C(=O)OC(C)(C)C)c2ccccc2)c1-c1nnn[n-]1 ZINC000826348306 948070603 /nfs/dbraw/zinc/07/06/03/948070603.db2.gz GNAGDAAQWRCEKM-INIZCTEOSA-N -1 1 398.423 1.905 20 0 GDADMM Cc1onc(CC(=O)N[C@H](C(=O)OC(C)(C)C)c2ccccc2)c1-c1nn[n-]n1 ZINC000826348306 948070612 /nfs/dbraw/zinc/07/06/12/948070612.db2.gz GNAGDAAQWRCEKM-INIZCTEOSA-N -1 1 398.423 1.905 20 0 GDADMM CC(=O)N(C)c1ccc(CNS(=O)(=O)c2ccsc2-c2nn[n-]n2)cc1 ZINC001573409849 948076414 /nfs/dbraw/zinc/07/64/14/948076414.db2.gz XBBARVMTKCWEML-UHFFFAOYSA-N -1 1 392.466 1.389 20 0 GDADMM C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1)C1CCC1 ZINC001573666237 948084686 /nfs/dbraw/zinc/08/46/86/948084686.db2.gz RIZYNUPGMVZTDV-JZIBPQBNSA-N -1 1 382.472 1.709 20 0 GDADMM C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)C1CCC1 ZINC001573666237 948084695 /nfs/dbraw/zinc/08/46/95/948084695.db2.gz RIZYNUPGMVZTDV-JZIBPQBNSA-N -1 1 382.472 1.709 20 0 GDADMM CC(C(=O)N[C@@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C[C@@H]1O)=C1CCC1 ZINC001573676783 948128447 /nfs/dbraw/zinc/12/84/47/948128447.db2.gz VLLMBOUSBRVHGJ-OLZOCXBDSA-N -1 1 389.485 1.188 20 0 GDADMM CC(=O)N1C[C@@H](C(=O)NCc2ccc(-c3nn[n-]n3)s2)Oc2ccccc21 ZINC001573421508 948140530 /nfs/dbraw/zinc/14/05/30/948140530.db2.gz GRHAZQBPKFIPLH-AWEZNQCLSA-N -1 1 384.421 1.359 20 0 GDADMM CC(C)[C@@H](CNC(=O)[C@H](C)c1cccnc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573679439 948161913 /nfs/dbraw/zinc/16/19/13/948161913.db2.gz IVXLSMINDQZGQB-IUODEOHRSA-N -1 1 381.444 1.408 20 0 GDADMM CC(C)[C@@H](CNC(=O)[C@H](C)c1cccnc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573679439 948161916 /nfs/dbraw/zinc/16/19/16/948161916.db2.gz IVXLSMINDQZGQB-IUODEOHRSA-N -1 1 381.444 1.408 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C)C(C)(F)F ZINC001573680535 948183065 /nfs/dbraw/zinc/18/30/65/948183065.db2.gz QOUCOXNZRVKAOL-NXEZZACHSA-N -1 1 380.403 1.279 20 0 GDADMM C[C@@H](C(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1)c1cccc(F)c1 ZINC001573680917 948191286 /nfs/dbraw/zinc/19/12/86/948191286.db2.gz SJHBTEQLQXRVSX-NWDGAFQWSA-N -1 1 384.419 1.540 20 0 GDADMM C[C@@H](C(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1)c1cccc(F)c1 ZINC001573680917 948191292 /nfs/dbraw/zinc/19/12/92/948191292.db2.gz SJHBTEQLQXRVSX-NWDGAFQWSA-N -1 1 384.419 1.540 20 0 GDADMM O=C([C@@H]1CCCCS1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000826399018 948213730 /nfs/dbraw/zinc/21/37/30/948213730.db2.gz KMJILBOGZOUDSG-LBPRGKRZSA-N -1 1 389.485 1.666 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCCC1)C(F)(F)F ZINC001573691000 948234132 /nfs/dbraw/zinc/23/41/32/948234132.db2.gz CFRHQQHUEKDPKR-SECBINFHSA-N -1 1 384.366 1.696 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCCC1)C(F)(F)F ZINC001573691000 948234139 /nfs/dbraw/zinc/23/41/39/948234139.db2.gz CFRHQQHUEKDPKR-SECBINFHSA-N -1 1 384.366 1.696 20 0 GDADMM C[C@@H](C(=O)NC[C@]1(C)CN(c2cnc(-c3nnn[n-]3)cn2)CCO1)C(C)(C)C ZINC001573691839 948247066 /nfs/dbraw/zinc/24/70/66/948247066.db2.gz KHLXGHJZJABUTG-KPZWWZAWSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@@H](C(=O)NC[C@]1(C)CN(c2cnc(-c3nn[n-]n3)cn2)CCO1)C(C)(C)C ZINC001573691839 948247075 /nfs/dbraw/zinc/24/70/75/948247075.db2.gz KHLXGHJZJABUTG-KPZWWZAWSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@H](C(=O)NC[C@]1(C)CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CCC1 ZINC001573693365 948280697 /nfs/dbraw/zinc/28/06/97/948280697.db2.gz SRAPAJJKSHGYON-DJJJIMSYSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NC[C@]1(C)CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CCC1 ZINC001573693365 948280702 /nfs/dbraw/zinc/28/07/02/948280702.db2.gz SRAPAJJKSHGYON-DJJJIMSYSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCCN1c1nccnc1-c1nnn[n-]1)n1cccc1 ZINC001573704099 948363158 /nfs/dbraw/zinc/36/31/58/948363158.db2.gz OZLCFLGFYLDQLN-ZIAGYGMSSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCCN1c1nccnc1-c1nn[n-]n1)n1cccc1 ZINC001573704099 948363168 /nfs/dbraw/zinc/36/31/68/948363168.db2.gz OZLCFLGFYLDQLN-ZIAGYGMSSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCCCN1c1nccnc1-c1nnn[n-]1)C1CCC1 ZINC001573704115 948365721 /nfs/dbraw/zinc/36/57/21/948365721.db2.gz PCUQSTAVPSRELZ-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCCCN1c1nccnc1-c1nn[n-]n1)C1CCC1 ZINC001573704115 948365726 /nfs/dbraw/zinc/36/57/26/948365726.db2.gz PCUQSTAVPSRELZ-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](C(=O)NCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)c1ccco1 ZINC001573704521 948376866 /nfs/dbraw/zinc/37/68/66/948376866.db2.gz BMQZWCKOMBJZGW-GFCCVEGCSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@@H](C(=O)NCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)c1ccco1 ZINC001573704521 948376874 /nfs/dbraw/zinc/37/68/74/948376874.db2.gz BMQZWCKOMBJZGW-GFCCVEGCSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cccs1 ZINC001573704791 948383236 /nfs/dbraw/zinc/38/32/36/948383236.db2.gz DSIOLTLCMYRXLO-NEPJUHHUSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cccs1 ZINC001573704791 948383244 /nfs/dbraw/zinc/38/32/44/948383244.db2.gz DSIOLTLCMYRXLO-NEPJUHHUSA-N -1 1 384.469 1.464 20 0 GDADMM CC(C(=O)NC[C@@H]1CCCN1c1nc(C)cc(-c2nnn[n-]2)n1)=C1CCCC1 ZINC001573704934 948386429 /nfs/dbraw/zinc/38/64/29/948386429.db2.gz UXEFCOOEWKIKIG-HNNXBMFYSA-N -1 1 382.472 1.941 20 0 GDADMM CC(C(=O)NC[C@@H]1CCCN1c1nc(C)cc(-c2nn[n-]n2)n1)=C1CCCC1 ZINC001573704934 948386433 /nfs/dbraw/zinc/38/64/33/948386433.db2.gz UXEFCOOEWKIKIG-HNNXBMFYSA-N -1 1 382.472 1.941 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)CCC1(F)F)C1CC1 ZINC001573705445 948399773 /nfs/dbraw/zinc/39/97/73/948399773.db2.gz FQVGPUDHDCDBIP-CMPLNLGQSA-N -1 1 392.414 1.281 20 0 GDADMM C[C@H](C(=O)NCCC1(CNc2cnc(-c3nnn[n-]3)cn2)CC1)C(F)(F)F ZINC001573705560 948403913 /nfs/dbraw/zinc/40/39/13/948403913.db2.gz FZTRLBUGULSMLU-SECBINFHSA-N -1 1 384.366 1.554 20 0 GDADMM C[C@H](C(=O)NCCC1(CNc2cnc(-c3nn[n-]n3)cn2)CC1)C(F)(F)F ZINC001573705560 948403920 /nfs/dbraw/zinc/40/39/20/948403920.db2.gz FZTRLBUGULSMLU-SECBINFHSA-N -1 1 384.366 1.554 20 0 GDADMM C[C@@H](C(=O)NCCC1(CNc2cncc(-c3nnn[n-]3)n2)CC1)n1cccc1 ZINC001573708904 948461409 /nfs/dbraw/zinc/46/14/09/948461409.db2.gz YPFRWWUBEBOGFW-ZDUSSCGKSA-N -1 1 381.444 1.418 20 0 GDADMM C[C@@H](C(=O)NCCC1(CNc2cncc(-c3nn[n-]n3)n2)CC1)n1cccc1 ZINC001573708904 948461414 /nfs/dbraw/zinc/46/14/14/948461414.db2.gz YPFRWWUBEBOGFW-ZDUSSCGKSA-N -1 1 381.444 1.418 20 0 GDADMM C[C@H](C(=O)NCC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)C(C)(F)F ZINC001573714022 948468520 /nfs/dbraw/zinc/46/85/20/948468520.db2.gz CQRFVQJEUQJWJJ-GHMZBOCLSA-N -1 1 380.403 1.281 20 0 GDADMM C[C@H](C(=O)NCC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573714022 948468527 /nfs/dbraw/zinc/46/85/27/948468527.db2.gz CQRFVQJEUQJWJJ-GHMZBOCLSA-N -1 1 380.403 1.281 20 0 GDADMM C[C@@H](C(=O)NCC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001573715012 948480321 /nfs/dbraw/zinc/48/03/21/948480321.db2.gz MSSYKAFJIGJJSW-UWVGGRQHSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@H](C(=O)NCC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573715012 948480327 /nfs/dbraw/zinc/48/03/27/948480327.db2.gz MSSYKAFJIGJJSW-UWVGGRQHSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@H](C(=O)NCC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001573715011 948480996 /nfs/dbraw/zinc/48/09/96/948480996.db2.gz MSSYKAFJIGJJSW-NXEZZACHSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@H](C(=O)NCC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573715011 948481004 /nfs/dbraw/zinc/48/10/04/948481004.db2.gz MSSYKAFJIGJJSW-NXEZZACHSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@H](C(=O)NCC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)C(C)(F)F ZINC001573715351 948487995 /nfs/dbraw/zinc/48/79/95/948487995.db2.gz URQVXIOXHLWESF-WDEREUQCSA-N -1 1 380.403 1.281 20 0 GDADMM C[C@@H](C(=O)NCC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)C(C)(F)F ZINC001573715351 948487998 /nfs/dbraw/zinc/48/79/98/948487998.db2.gz URQVXIOXHLWESF-WDEREUQCSA-N -1 1 380.403 1.281 20 0 GDADMM C[C@H](C(=O)NCC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)C(C)(F)F ZINC001573715349 948488015 /nfs/dbraw/zinc/48/80/15/948488015.db2.gz URQVXIOXHLWESF-MNOVXSKESA-N -1 1 380.403 1.281 20 0 GDADMM C[C@H](C(=O)NCC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)C(C)(F)F ZINC001573715349 948488018 /nfs/dbraw/zinc/48/80/18/948488018.db2.gz URQVXIOXHLWESF-MNOVXSKESA-N -1 1 380.403 1.281 20 0 GDADMM C[C@H](C(=O)NCC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)C1CCCC1 ZINC001573715400 948490102 /nfs/dbraw/zinc/49/01/02/948490102.db2.gz VOWFQQVDLDBZIQ-UONOGXRCSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NCC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)C1CCCC1 ZINC001573715400 948490105 /nfs/dbraw/zinc/49/01/05/948490105.db2.gz VOWFQQVDLDBZIQ-UONOGXRCSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1nc(Cl)c(-c2nnn[n-]2)s1)C(C)(F)F ZINC001573719213 948523442 /nfs/dbraw/zinc/52/34/42/948523442.db2.gz LJEHOPOHVYJFJS-ZCFIWIBFSA-N -1 1 379.824 1.820 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1nc(Cl)c(-c2nn[n-]n2)s1)C(C)(F)F ZINC001573719213 948523446 /nfs/dbraw/zinc/52/34/46/948523446.db2.gz LJEHOPOHVYJFJS-ZCFIWIBFSA-N -1 1 379.824 1.820 20 0 GDADMM C[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001573725946 948546416 /nfs/dbraw/zinc/54/64/16/948546416.db2.gz DFUZOWBESYOXAU-VIRABCJISA-N -1 1 382.472 1.566 20 0 GDADMM C[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001573725946 948546423 /nfs/dbraw/zinc/54/64/23/948546423.db2.gz DFUZOWBESYOXAU-VIRABCJISA-N -1 1 382.472 1.566 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)C(C)(F)F ZINC001573726001 948547918 /nfs/dbraw/zinc/54/79/18/948547918.db2.gz FOKUBECJCHGDRK-GARJFASQSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)C(C)(F)F ZINC001573726001 948547925 /nfs/dbraw/zinc/54/79/25/948547925.db2.gz FOKUBECJCHGDRK-GARJFASQSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@H](C(=O)NC[C@]12CCC[C@H]1N(c1nccnc1-c1nnn[n-]1)CC2)C1CC1 ZINC001573729115 948566418 /nfs/dbraw/zinc/56/64/18/948566418.db2.gz GZKCCKUATJAZDS-BBEJJTJUSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](C(=O)NC[C@]12CCC[C@H]1N(c1nccnc1-c1nn[n-]n1)CC2)C1CC1 ZINC001573729115 948566419 /nfs/dbraw/zinc/56/64/19/948566419.db2.gz GZKCCKUATJAZDS-BBEJJTJUSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](C(=O)NCc1ccccc1CN(C)c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573730930 948585338 /nfs/dbraw/zinc/58/53/38/948585338.db2.gz SPMHRXOJUYUSNU-ZDUSSCGKSA-N -1 1 392.467 1.955 20 0 GDADMM C[C@H](C(=O)NCc1ccccc1CN(C)c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573730930 948585347 /nfs/dbraw/zinc/58/53/47/948585347.db2.gz SPMHRXOJUYUSNU-ZDUSSCGKSA-N -1 1 392.467 1.955 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C)c1cccs1 ZINC001573740506 948636207 /nfs/dbraw/zinc/63/62/07/948636207.db2.gz KDNSLLAJQGHVRQ-NTZNESFSSA-N -1 1 384.469 1.463 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C)c1cccs1 ZINC001573740506 948636211 /nfs/dbraw/zinc/63/62/11/948636211.db2.gz KDNSLLAJQGHVRQ-NTZNESFSSA-N -1 1 384.469 1.463 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H](C)c1ccc(F)c(F)c1 ZINC001573741823 948658230 /nfs/dbraw/zinc/65/82/30/948658230.db2.gz FAZNZQDTTDZXME-ZJUUUORDSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)c1ccc(F)c(F)c1 ZINC001573741823 948658236 /nfs/dbraw/zinc/65/82/36/948658236.db2.gz FAZNZQDTTDZXME-ZJUUUORDSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cccc(F)c1 ZINC001573753038 948716222 /nfs/dbraw/zinc/71/62/22/948716222.db2.gz QQXPFHCXYZTELB-BPNCWPANSA-N -1 1 382.403 1.659 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cccc(F)c1 ZINC001573753038 948716225 /nfs/dbraw/zinc/71/62/25/948716225.db2.gz QQXPFHCXYZTELB-BPNCWPANSA-N -1 1 382.403 1.659 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1F ZINC001573754080 948724470 /nfs/dbraw/zinc/72/44/70/948724470.db2.gz ZYGQYATXMBCRNX-IJLUTSLNSA-N -1 1 382.403 1.081 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@H](C)[C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)nc1 ZINC001574416009 948743491 /nfs/dbraw/zinc/74/34/91/948743491.db2.gz NPYPSMBDOUSERK-VXGBXAGGSA-N -1 1 381.444 1.794 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@H](C)[C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)nc1 ZINC001574416009 948743500 /nfs/dbraw/zinc/74/35/00/948743500.db2.gz NPYPSMBDOUSERK-VXGBXAGGSA-N -1 1 381.444 1.794 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)Cc1ccc(Cl)cc1 ZINC001574678307 948746041 /nfs/dbraw/zinc/74/60/41/948746041.db2.gz CMCNXNPPJJOTAL-NSHDSACASA-N -1 1 386.847 1.860 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)Cc1ccc(Cl)cc1 ZINC001574678307 948746050 /nfs/dbraw/zinc/74/60/50/948746050.db2.gz CMCNXNPPJJOTAL-NSHDSACASA-N -1 1 386.847 1.860 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@H](C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001574678431 948750201 /nfs/dbraw/zinc/75/02/01/948750201.db2.gz FRJOIJOHWXBZNF-SNVBAGLBSA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@H](C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001574678431 948750219 /nfs/dbraw/zinc/75/02/19/948750219.db2.gz FRJOIJOHWXBZNF-SNVBAGLBSA-N -1 1 387.473 1.857 20 0 GDADMM CC(F)(F)C1(C(=O)NCCC2(CNc3cncc(-c4nnn[n-]4)n3)CC2)CC1 ZINC001575221792 948752869 /nfs/dbraw/zinc/75/28/69/948752869.db2.gz CSOKUZHJJJFSFO-UHFFFAOYSA-N -1 1 392.414 1.791 20 0 GDADMM CC(F)(F)C1(C(=O)NCCC2(CNc3cncc(-c4nn[n-]n4)n3)CC2)CC1 ZINC001575221792 948752882 /nfs/dbraw/zinc/75/28/82/948752882.db2.gz CSOKUZHJJJFSFO-UHFFFAOYSA-N -1 1 392.414 1.791 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001575222775 948757345 /nfs/dbraw/zinc/75/73/45/948757345.db2.gz JNSVCAFCJCSDCX-MNOVXSKESA-N -1 1 392.414 1.789 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001575222775 948757364 /nfs/dbraw/zinc/75/73/64/948757364.db2.gz JNSVCAFCJCSDCX-MNOVXSKESA-N -1 1 392.414 1.789 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)C1(c2ccccn2)CC1 ZINC001574678660 948757586 /nfs/dbraw/zinc/75/75/86/948757586.db2.gz HWSOEYKHQKJBOX-GFCCVEGCSA-N -1 1 379.428 1.090 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)C1(c2ccccn2)CC1 ZINC001574678660 948757594 /nfs/dbraw/zinc/75/75/94/948757594.db2.gz HWSOEYKHQKJBOX-GFCCVEGCSA-N -1 1 379.428 1.090 20 0 GDADMM CC(F)(F)C1(C(=O)NCCC2(CNc3ccc(-c4nnn[n-]4)nn3)CC2)CC1 ZINC001575222818 948760584 /nfs/dbraw/zinc/76/05/84/948760584.db2.gz KZLOOWZYEFMDIX-UHFFFAOYSA-N -1 1 392.414 1.791 20 0 GDADMM CC(F)(F)C1(C(=O)NCCC2(CNc3ccc(-c4nn[n-]n4)nn3)CC2)CC1 ZINC001575222818 948760594 /nfs/dbraw/zinc/76/05/94/948760594.db2.gz KZLOOWZYEFMDIX-UHFFFAOYSA-N -1 1 392.414 1.791 20 0 GDADMM CC(C)[C@H](O)CCNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC001574079043 948763171 /nfs/dbraw/zinc/76/31/71/948763171.db2.gz IKGKRKPPXVRVSW-CYBMUJFWSA-N -1 1 388.407 1.720 20 0 GDADMM C[C@H](CNC(=O)CCc1ccccc1F)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574915614 948768036 /nfs/dbraw/zinc/76/80/36/948768036.db2.gz VTLXDAZKOIEOBL-GFCCVEGCSA-N -1 1 384.419 1.370 20 0 GDADMM C[C@H](CNC(=O)CCc1ccccc1F)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574915614 948768052 /nfs/dbraw/zinc/76/80/52/948768052.db2.gz VTLXDAZKOIEOBL-GFCCVEGCSA-N -1 1 384.419 1.370 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CCC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001575223982 948777572 /nfs/dbraw/zinc/77/75/72/948777572.db2.gz RTDXVOVYLBPJJL-WDEREUQCSA-N -1 1 392.414 1.931 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CCC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575223982 948777585 /nfs/dbraw/zinc/77/75/85/948777585.db2.gz RTDXVOVYLBPJJL-WDEREUQCSA-N -1 1 392.414 1.931 20 0 GDADMM C[C@@H](CNC(=O)CCc1ccncc1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574916694 948786024 /nfs/dbraw/zinc/78/60/24/948786024.db2.gz HQGRJWSDHOHDJU-VIFPVBQESA-N -1 1 392.876 1.921 20 0 GDADMM C[C@@H](CNC(=O)CCc1ccncc1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574916694 948786033 /nfs/dbraw/zinc/78/60/33/948786033.db2.gz HQGRJWSDHOHDJU-VIFPVBQESA-N -1 1 392.876 1.921 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C2CC2)CC1 ZINC001575224741 948791396 /nfs/dbraw/zinc/79/13/96/948791396.db2.gz YFCWVOCKEOHTES-SNVBAGLBSA-N -1 1 378.387 1.399 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C2CC2)CC1 ZINC001575224741 948791412 /nfs/dbraw/zinc/79/14/12/948791412.db2.gz YFCWVOCKEOHTES-SNVBAGLBSA-N -1 1 378.387 1.399 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001574419984 948793277 /nfs/dbraw/zinc/79/32/77/948793277.db2.gz NHKUHXVABPWQNV-OAHLLOKOSA-N -1 1 378.440 1.789 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccc2c(c1)CCC2 ZINC001574680104 948798480 /nfs/dbraw/zinc/79/84/80/948798480.db2.gz DLIZXRHUFKJXDJ-GFCCVEGCSA-N -1 1 378.440 1.766 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccc2c(c1)CCC2 ZINC001574680104 948798493 /nfs/dbraw/zinc/79/84/93/948798493.db2.gz DLIZXRHUFKJXDJ-GFCCVEGCSA-N -1 1 378.440 1.766 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCCc1ccccc1 ZINC001574680154 948799003 /nfs/dbraw/zinc/79/90/03/948799003.db2.gz FIQHFYHJLKZOLE-AWEZNQCLSA-N -1 1 380.456 1.986 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCCc1ccccc1 ZINC001574680154 948799019 /nfs/dbraw/zinc/79/90/19/948799019.db2.gz FIQHFYHJLKZOLE-AWEZNQCLSA-N -1 1 380.456 1.986 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cnn(C(C)(C)C)c1 ZINC001574680147 948799229 /nfs/dbraw/zinc/79/92/29/948799229.db2.gz FGAUAFDRAPGBIP-NSHDSACASA-N -1 1 384.448 1.229 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cnn(C(C)(C)C)c1 ZINC001574680147 948799244 /nfs/dbraw/zinc/79/92/44/948799244.db2.gz FGAUAFDRAPGBIP-NSHDSACASA-N -1 1 384.448 1.229 20 0 GDADMM CC(C)c1ccoc1C(=O)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574420809 948805945 /nfs/dbraw/zinc/80/59/45/948805945.db2.gz ANVRMGUWZADAOI-GFCCVEGCSA-N -1 1 382.428 1.947 20 0 GDADMM CC(C)c1ccoc1C(=O)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574420809 948805961 /nfs/dbraw/zinc/80/59/61/948805961.db2.gz ANVRMGUWZADAOI-GFCCVEGCSA-N -1 1 382.428 1.947 20 0 GDADMM CC(F)(F)CC(=O)N1C[C@@H]2CCC[C@H](Nc3nccnc3-c3nnn[n-]3)[C@@H]2C1 ZINC001575225943 948810316 /nfs/dbraw/zinc/81/03/16/948810316.db2.gz GVBAHMRCKQYOSU-TUAOUCFPSA-N -1 1 392.414 1.741 20 0 GDADMM CC(F)(F)CC(=O)N1C[C@@H]2CCC[C@H](Nc3nccnc3-c3nn[n-]n3)[C@@H]2C1 ZINC001575225943 948810334 /nfs/dbraw/zinc/81/03/34/948810334.db2.gz GVBAHMRCKQYOSU-TUAOUCFPSA-N -1 1 392.414 1.741 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001575227321 948825934 /nfs/dbraw/zinc/82/59/34/948825934.db2.gz SUAXENNUTKJALO-MNOVXSKESA-N -1 1 378.387 1.272 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001575227003 948826805 /nfs/dbraw/zinc/82/68/05/948826805.db2.gz RASJARHSTAFHSS-INIZCTEOSA-N -1 1 378.387 1.131 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001575227003 948826828 /nfs/dbraw/zinc/82/68/28/948826828.db2.gz RASJARHSTAFHSS-INIZCTEOSA-N -1 1 378.387 1.131 20 0 GDADMM C[C@H](CNC(=O)CCCc1ccccc1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574918008 948831311 /nfs/dbraw/zinc/83/13/11/948831311.db2.gz FMLZVGQERFYVPQ-AWEZNQCLSA-N -1 1 380.456 1.844 20 0 GDADMM C[C@H](CNC(=O)CCCc1ccccc1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574918008 948831318 /nfs/dbraw/zinc/83/13/18/948831318.db2.gz FMLZVGQERFYVPQ-AWEZNQCLSA-N -1 1 380.456 1.844 20 0 GDADMM CC(F)(F)CC(=O)NC[C@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001575229058 948833113 /nfs/dbraw/zinc/83/31/13/948833113.db2.gz AJHICVCITYMYRK-JTQLQIEISA-N -1 1 386.428 1.291 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cc(F)c(F)cc1F ZINC001574683234 948846872 /nfs/dbraw/zinc/84/68/72/948846872.db2.gz WHVOKNCJSNHCND-QMMMGPOBSA-N -1 1 392.345 1.695 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cc(F)c(F)cc1F ZINC001574683234 948846881 /nfs/dbraw/zinc/84/68/81/948846881.db2.gz WHVOKNCJSNHCND-QMMMGPOBSA-N -1 1 392.345 1.695 20 0 GDADMM CC(C)c1ccsc1C(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574424921 948863273 /nfs/dbraw/zinc/86/32/73/948863273.db2.gz WYFOLIHGNVFRSX-UHFFFAOYSA-N -1 1 384.469 1.804 20 0 GDADMM CC(C)c1ccsc1C(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574424921 948863290 /nfs/dbraw/zinc/86/32/90/948863290.db2.gz WYFOLIHGNVFRSX-UHFFFAOYSA-N -1 1 384.469 1.804 20 0 GDADMM C[C@@H](CNC(=O)CCCc1ccccc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574919365 948874592 /nfs/dbraw/zinc/87/45/92/948874592.db2.gz XPRCBKMPBNHGRE-AWEZNQCLSA-N -1 1 380.456 1.621 20 0 GDADMM C[C@@H](CNC(=O)CCCc1ccccc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574919365 948874608 /nfs/dbraw/zinc/87/46/08/948874608.db2.gz XPRCBKMPBNHGRE-AWEZNQCLSA-N -1 1 380.456 1.621 20 0 GDADMM CC(F)(F)CCC(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@@]2(C)C1 ZINC001575235144 948911666 /nfs/dbraw/zinc/91/16/66/948911666.db2.gz JJKQZOHPQAODSZ-BZNIZROVSA-N -1 1 392.414 1.377 20 0 GDADMM CC(F)(F)CCC(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@]2(C)C1 ZINC001575235144 948911683 /nfs/dbraw/zinc/91/16/83/948911683.db2.gz JJKQZOHPQAODSZ-BZNIZROVSA-N -1 1 392.414 1.377 20 0 GDADMM CC(C)[C@]1(C)C[C@H]1C(=O)N1CCC(N(C)c2nccnc2-c2nnn[n-]2)CC1 ZINC001574088240 948914569 /nfs/dbraw/zinc/91/45/69/948914569.db2.gz FBXRJRCWXXKDHP-LIRRHRJNSA-N -1 1 384.488 1.766 20 0 GDADMM CC(C)[C@]1(C)C[C@H]1C(=O)N1CCC(N(C)c2nccnc2-c2nn[n-]n2)CC1 ZINC001574088240 948914582 /nfs/dbraw/zinc/91/45/82/948914582.db2.gz FBXRJRCWXXKDHP-LIRRHRJNSA-N -1 1 384.488 1.766 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575235210 948914787 /nfs/dbraw/zinc/91/47/87/948914787.db2.gz LGTUYVIVUBCJNF-LLVKDONJSA-N -1 1 380.403 1.743 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575235210 948914802 /nfs/dbraw/zinc/91/48/02/948914802.db2.gz LGTUYVIVUBCJNF-LLVKDONJSA-N -1 1 380.403 1.743 20 0 GDADMM CC(C)c1ncc(C(=O)N(C)CCN(C)c2cncc(-c3nnn[n-]3)n2)s1 ZINC001574427993 948920917 /nfs/dbraw/zinc/92/09/17/948920917.db2.gz WVUNZIMKVCGCKH-UHFFFAOYSA-N -1 1 387.473 1.445 20 0 GDADMM CC(C)c1ncc(C(=O)N(C)CCN(C)c2cncc(-c3nn[n-]n3)n2)s1 ZINC001574427993 948920932 /nfs/dbraw/zinc/92/09/32/948920932.db2.gz WVUNZIMKVCGCKH-UHFFFAOYSA-N -1 1 387.473 1.445 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@@H](C)[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)s1 ZINC001574428014 948921643 /nfs/dbraw/zinc/92/16/43/948921643.db2.gz XRKSOYLXXPYYLV-ZJUUUORDSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@@H](C)[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)s1 ZINC001574428014 948921653 /nfs/dbraw/zinc/92/16/53/948921653.db2.gz XRKSOYLXXPYYLV-ZJUUUORDSA-N -1 1 387.473 1.856 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001575235587 948922917 /nfs/dbraw/zinc/92/29/17/948922917.db2.gz PPFBZMAVOIFHLJ-QGZVFWFLSA-N -1 1 392.414 1.521 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001575235587 948922928 /nfs/dbraw/zinc/92/29/28/948922928.db2.gz PPFBZMAVOIFHLJ-QGZVFWFLSA-N -1 1 392.414 1.521 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)NCCC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001574088443 948925849 /nfs/dbraw/zinc/92/58/49/948925849.db2.gz CLHRJVODRLZOSG-LSDHHAIUSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)NCCC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001574088443 948925862 /nfs/dbraw/zinc/92/58/62/948925862.db2.gz CLHRJVODRLZOSG-LSDHHAIUSA-N -1 1 384.488 1.672 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001575236223 948937697 /nfs/dbraw/zinc/93/76/97/948937697.db2.gz YCPIUOKFKUZSAK-WCQYABFASA-N -1 1 392.414 1.519 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001575236223 948937710 /nfs/dbraw/zinc/93/77/10/948937710.db2.gz YCPIUOKFKUZSAK-WCQYABFASA-N -1 1 392.414 1.519 20 0 GDADMM CC(C)(C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)c1ccccc1 ZINC001573771288 948940279 /nfs/dbraw/zinc/94/02/79/948940279.db2.gz FGPVXXCCXWCTRL-INIZCTEOSA-N -1 1 392.467 1.941 20 0 GDADMM CC(C)(C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)c1ccccc1 ZINC001573771288 948940287 /nfs/dbraw/zinc/94/02/87/948940287.db2.gz FGPVXXCCXWCTRL-INIZCTEOSA-N -1 1 392.467 1.941 20 0 GDADMM CC(C)c1ncsc1C(=O)N(C)[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574432923 948941720 /nfs/dbraw/zinc/94/17/20/948941720.db2.gz PISQMKRDVYZRAA-JTQLQIEISA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)c1ncsc1C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574432923 948941733 /nfs/dbraw/zinc/94/17/33/948941733.db2.gz PISQMKRDVYZRAA-JTQLQIEISA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCOCC1 ZINC001574089176 948946138 /nfs/dbraw/zinc/94/61/38/948946138.db2.gz GYNIRAOYKBDIDM-STQMWFEESA-N -1 1 386.460 1.026 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCOCC1 ZINC001574089176 948946148 /nfs/dbraw/zinc/94/61/48/948946148.db2.gz GYNIRAOYKBDIDM-STQMWFEESA-N -1 1 386.460 1.026 20 0 GDADMM CC(F)(F)CCC(=O)NCC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575237858 948947493 /nfs/dbraw/zinc/94/74/93/948947493.db2.gz IORGAHKFOUEGPD-LLVKDONJSA-N -1 1 380.403 1.425 20 0 GDADMM CC(F)(F)CCC(=O)NCC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575237858 948947505 /nfs/dbraw/zinc/94/75/05/948947505.db2.gz IORGAHKFOUEGPD-LLVKDONJSA-N -1 1 380.403 1.425 20 0 GDADMM CC(F)(F)CCC(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCCC1 ZINC001575237951 948951050 /nfs/dbraw/zinc/95/10/50/948951050.db2.gz JVKPHTCKJGDUJH-UHFFFAOYSA-N -1 1 380.403 1.933 20 0 GDADMM CC(F)(F)CCC(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCCC1 ZINC001575237951 948951060 /nfs/dbraw/zinc/95/10/60/948951060.db2.gz JVKPHTCKJGDUJH-UHFFFAOYSA-N -1 1 380.403 1.933 20 0 GDADMM CC(C)(C(=O)N[C@@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C12CCC2)C1CC1 ZINC001573772556 948961706 /nfs/dbraw/zinc/96/17/06/948961706.db2.gz UUTFXQDUJJRTCQ-UONOGXRCSA-N -1 1 382.472 1.932 20 0 GDADMM CC(C)(C(=O)N[C@@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C12CCC2)C1CC1 ZINC001573772556 948961721 /nfs/dbraw/zinc/96/17/21/948961721.db2.gz UUTFXQDUJJRTCQ-UONOGXRCSA-N -1 1 382.472 1.932 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N[C@@H](C)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574433781 948965073 /nfs/dbraw/zinc/96/50/73/948965073.db2.gz QCYNDRAHQHSNQH-MNOVXSKESA-N -1 1 384.448 1.133 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N[C@@H](C)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574433781 948965085 /nfs/dbraw/zinc/96/50/85/948965085.db2.gz QCYNDRAHQHSNQH-MNOVXSKESA-N -1 1 384.448 1.133 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@@H](C)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574433855 948967004 /nfs/dbraw/zinc/96/70/04/948967004.db2.gz SUAGBAVYJBJPNS-ZJUUUORDSA-N -1 1 387.473 1.277 20 0 GDADMM CC(C)c1noc(CCC(=O)Nc2ncc3c(c2-c2nn[n-]n2)COCC3)n1 ZINC001574439134 949002606 /nfs/dbraw/zinc/00/26/06/949002606.db2.gz ANFRQPWCODKNDG-UHFFFAOYSA-N -1 1 384.400 1.412 20 0 GDADMM CC(C)[C@]1(C)C[C@H]1C(=O)N1CCC(CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574091643 949019072 /nfs/dbraw/zinc/01/90/72/949019072.db2.gz PRLCEEUPLMSZRN-LIRRHRJNSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)[C@]1(C)C[C@H]1C(=O)N1CCC(CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574091643 949019092 /nfs/dbraw/zinc/01/90/92/949019092.db2.gz PRLCEEUPLMSZRN-LIRRHRJNSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@@H]1CCC(C)(C)CO1 ZINC001574691298 949020352 /nfs/dbraw/zinc/02/03/52/949020352.db2.gz WHTQROIGICULJE-OLZOCXBDSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@@H]1CCC(C)(C)CO1 ZINC001574691298 949020372 /nfs/dbraw/zinc/02/03/72/949020372.db2.gz WHTQROIGICULJE-OLZOCXBDSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)C1(c2ccccn2)CC1 ZINC001574691835 949032694 /nfs/dbraw/zinc/03/26/94/949032694.db2.gz YVSICQDUKDNQGO-GFCCVEGCSA-N -1 1 379.428 1.090 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)C1(c2ccccn2)CC1 ZINC001574691835 949032715 /nfs/dbraw/zinc/03/27/15/949032715.db2.gz YVSICQDUKDNQGO-GFCCVEGCSA-N -1 1 379.428 1.090 20 0 GDADMM C[C@@H](Sc1nnnn1C1CC1)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001575503369 949041382 /nfs/dbraw/zinc/04/13/82/949041382.db2.gz PGYBXBXGWGHUMD-SSDOTTSWSA-N -1 1 377.459 1.047 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)NCCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574092167 949050864 /nfs/dbraw/zinc/05/08/64/949050864.db2.gz QKKGOWCMZBAUTF-GJZGRUSLSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)NCCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574092167 949050881 /nfs/dbraw/zinc/05/08/81/949050881.db2.gz QKKGOWCMZBAUTF-GJZGRUSLSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CCC1 ZINC001573780274 949086111 /nfs/dbraw/zinc/08/61/11/949086111.db2.gz UZBJEJJNQKERSY-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CCC1 ZINC001573780274 949086133 /nfs/dbraw/zinc/08/61/33/949086133.db2.gz UZBJEJJNQKERSY-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)c1nocc1C(=O)N1C[C@@H](C)[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574442713 949098502 /nfs/dbraw/zinc/09/85/02/949098502.db2.gz RPANUDYDENKGMA-MFKMUULPSA-N -1 1 383.416 1.341 20 0 GDADMM CC(C)c1nocc1C(=O)N1C[C@@H](C)[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574442713 949098520 /nfs/dbraw/zinc/09/85/20/949098520.db2.gz RPANUDYDENKGMA-MFKMUULPSA-N -1 1 383.416 1.341 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1[nH]cnc1C(C)(C)C ZINC001574695162 949103074 /nfs/dbraw/zinc/10/30/74/949103074.db2.gz DBOWJCNYFJGVBI-JTQLQIEISA-N -1 1 384.448 1.298 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1[nH]cnc1C(C)(C)C ZINC001574695162 949103083 /nfs/dbraw/zinc/10/30/83/949103083.db2.gz DBOWJCNYFJGVBI-JTQLQIEISA-N -1 1 384.448 1.298 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)c1cccnc1)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575249959 949105847 /nfs/dbraw/zinc/10/58/47/949105847.db2.gz CKFQXZONKUKKMD-VXGBXAGGSA-N -1 1 381.444 1.335 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)c1cccnc1)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575249959 949105857 /nfs/dbraw/zinc/10/58/57/949105857.db2.gz CKFQXZONKUKKMD-VXGBXAGGSA-N -1 1 381.444 1.335 20 0 GDADMM C[C@H](CNC(=O)COCC1CC1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574931113 949113841 /nfs/dbraw/zinc/11/38/41/949113841.db2.gz NNELSGUXJXOMLU-MRVPVSSYSA-N -1 1 385.881 1.567 20 0 GDADMM CC(C)[C@]1(C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001574093701 949114202 /nfs/dbraw/zinc/11/42/02/949114202.db2.gz YBCABDSHZZAAFI-QJNYJZHLSA-N -1 1 382.472 1.519 20 0 GDADMM CC(C)[C@]1(C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001574093701 949114209 /nfs/dbraw/zinc/11/42/09/949114209.db2.gz YBCABDSHZZAAFI-QJNYJZHLSA-N -1 1 382.472 1.519 20 0 GDADMM C[C@@H](NC(=O)C1(C(F)(F)F)CCC1)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575250707 949114308 /nfs/dbraw/zinc/11/43/08/949114308.db2.gz GNYXMSQZCCYEET-RKDXNWHRSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](NC(=O)C1(C(F)(F)F)CCC1)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575250707 949114322 /nfs/dbraw/zinc/11/43/22/949114322.db2.gz GNYXMSQZCCYEET-RKDXNWHRSA-N -1 1 384.366 1.694 20 0 GDADMM CC(C)(C(=O)NCC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)C(F)F ZINC001573782075 949116415 /nfs/dbraw/zinc/11/64/15/949116415.db2.gz QCXCKEKCSWSIAY-JTQLQIEISA-N -1 1 380.403 1.281 20 0 GDADMM CC(C)(C(=O)NCC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)C(F)F ZINC001573782075 949116431 /nfs/dbraw/zinc/11/64/31/949116431.db2.gz QCXCKEKCSWSIAY-JTQLQIEISA-N -1 1 380.403 1.281 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cccc2[nH]ccc21 ZINC001574696022 949120029 /nfs/dbraw/zinc/12/00/29/949120029.db2.gz LZCJPHPLPUPPKF-LLVKDONJSA-N -1 1 377.412 1.759 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cccc2[nH]ccc21 ZINC001574696022 949120045 /nfs/dbraw/zinc/12/00/45/949120045.db2.gz LZCJPHPLPUPPKF-LLVKDONJSA-N -1 1 377.412 1.759 20 0 GDADMM C[C@H](NC(=O)C(C)(C)C1CC1)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575250971 949121570 /nfs/dbraw/zinc/12/15/70/949121570.db2.gz JLSVRABZCGVISY-QWHCGFSZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](NC(=O)C(C)(C)C1CC1)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575250971 949121558 /nfs/dbraw/zinc/12/15/58/949121558.db2.gz JLSVRABZCGVISY-QWHCGFSZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](NC(=O)C1(C(F)F)CCCC1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575250932 949122850 /nfs/dbraw/zinc/12/28/50/949122850.db2.gz JEDAWPFFAZUYLP-UWVGGRQHSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@H](NC(=O)C1(C(F)F)CCCC1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575250932 949122835 /nfs/dbraw/zinc/12/28/35/949122835.db2.gz JEDAWPFFAZUYLP-UWVGGRQHSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)[C@]1(F)CCOC1 ZINC001574696666 949136804 /nfs/dbraw/zinc/13/68/04/949136804.db2.gz UDLHZGMQBNTZOL-UHLUBPPHSA-N -1 1 389.844 1.412 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)[C@]1(F)CCOC1 ZINC001574696666 949136823 /nfs/dbraw/zinc/13/68/23/949136823.db2.gz UDLHZGMQBNTZOL-UHLUBPPHSA-N -1 1 389.844 1.412 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)C1=CCOCC1 ZINC001574696631 949137575 /nfs/dbraw/zinc/13/75/75/949137575.db2.gz SPQNESRURBGHLT-QMMMGPOBSA-N -1 1 383.865 1.630 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)C1=CCOCC1 ZINC001574696631 949137585 /nfs/dbraw/zinc/13/75/85/949137585.db2.gz SPQNESRURBGHLT-QMMMGPOBSA-N -1 1 383.865 1.630 20 0 GDADMM CC(C)c1ocnc1C(=O)N(C)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574446842 949142124 /nfs/dbraw/zinc/14/21/24/949142124.db2.gz YBFUYQMSCGGONO-NSHDSACASA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1ocnc1C(=O)N(C)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574446842 949142137 /nfs/dbraw/zinc/14/21/37/949142137.db2.gz YBFUYQMSCGGONO-NSHDSACASA-N -1 1 383.416 1.119 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)COCC1CC1 ZINC001574696836 949143034 /nfs/dbraw/zinc/14/30/34/949143034.db2.gz VOYRAIICBGHWTB-MRVPVSSYSA-N -1 1 385.881 1.710 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)COCC1CC1 ZINC001574696836 949143050 /nfs/dbraw/zinc/14/30/50/949143050.db2.gz VOYRAIICBGHWTB-MRVPVSSYSA-N -1 1 385.881 1.710 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001574696987 949146953 /nfs/dbraw/zinc/14/69/53/949146953.db2.gz WOBQVOWKYVNILL-ZQGRQUNCSA-N -1 1 392.467 1.941 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001574696987 949146960 /nfs/dbraw/zinc/14/69/60/949146960.db2.gz WOBQVOWKYVNILL-ZQGRQUNCSA-N -1 1 392.467 1.941 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cc(Cl)cs1 ZINC001574697002 949147642 /nfs/dbraw/zinc/14/76/42/949147642.db2.gz WZKWKPQJMWYJBX-MRVPVSSYSA-N -1 1 378.849 1.992 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cc(Cl)cs1 ZINC001574697002 949147654 /nfs/dbraw/zinc/14/76/54/949147654.db2.gz WZKWKPQJMWYJBX-MRVPVSSYSA-N -1 1 378.849 1.992 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)CCCC1CCOCC1 ZINC001574697178 949151276 /nfs/dbraw/zinc/15/12/76/949151276.db2.gz ZMFMEIYWGMJOKC-CYBMUJFWSA-N -1 1 388.476 1.560 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)CCCC1CCOCC1 ZINC001574697178 949151284 /nfs/dbraw/zinc/15/12/84/949151284.db2.gz ZMFMEIYWGMJOKC-CYBMUJFWSA-N -1 1 388.476 1.560 20 0 GDADMM CC(C)c1ocnc1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574447348 949158562 /nfs/dbraw/zinc/15/85/62/949158562.db2.gz MQCGCLVMUSZKOM-NSHDSACASA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)[C@H]1CCCCO1 ZINC001573787130 949168332 /nfs/dbraw/zinc/16/83/32/949168332.db2.gz MWAVLIXDVCJHJD-MBNYWOFBSA-N -1 1 386.460 1.311 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)[C@H]1CCCCO1 ZINC001573787130 949168340 /nfs/dbraw/zinc/16/83/40/949168340.db2.gz MWAVLIXDVCJHJD-MBNYWOFBSA-N -1 1 386.460 1.311 20 0 GDADMM CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)c1ccccc1 ZINC001573787374 949179537 /nfs/dbraw/zinc/17/95/37/949179537.db2.gz VRFOGQWAXXMJDE-FICVDOATSA-N -1 1 390.451 1.185 20 0 GDADMM CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)c1ccccc1 ZINC001573787374 949179551 /nfs/dbraw/zinc/17/95/51/949179551.db2.gz VRFOGQWAXXMJDE-FICVDOATSA-N -1 1 390.451 1.185 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(Cl)s1)CNc1nccnc1-c1nnn[n-]1 ZINC001574935750 949203043 /nfs/dbraw/zinc/20/30/43/949203043.db2.gz FZPCTSBSDIFZFB-VIFPVBQESA-N -1 1 392.876 1.779 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(Cl)s1)CNc1nccnc1-c1nn[n-]n1 ZINC001574935750 949203060 /nfs/dbraw/zinc/20/30/60/949203060.db2.gz FZPCTSBSDIFZFB-VIFPVBQESA-N -1 1 392.876 1.779 20 0 GDADMM CC(C)c1oncc1C(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574449944 949206168 /nfs/dbraw/zinc/20/61/68/949206168.db2.gz XBXCENWEXNLMKD-NSHDSACASA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1oncc1C(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574449944 949206186 /nfs/dbraw/zinc/20/61/86/949206186.db2.gz XBXCENWEXNLMKD-NSHDSACASA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1scnc1C(=O)N(C)CCN(C)c1nccnc1-c1nnn[n-]1 ZINC001574451094 949211274 /nfs/dbraw/zinc/21/12/74/949211274.db2.gz BMWBMUCHGZHZQX-UHFFFAOYSA-N -1 1 387.473 1.445 20 0 GDADMM CC(C)c1scnc1C(=O)N(C)CCN(C)c1nccnc1-c1nn[n-]n1 ZINC001574451094 949211293 /nfs/dbraw/zinc/21/12/93/949211293.db2.gz BMWBMUCHGZHZQX-UHFFFAOYSA-N -1 1 387.473 1.445 20 0 GDADMM C[C@H](NC(=O)C(C)(C)C1CC1)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575254772 949217819 /nfs/dbraw/zinc/21/78/19/949217819.db2.gz XRIHAFMSPCKHCJ-STQMWFEESA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](NC(=O)C(C)(C)C1CC1)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575254772 949217839 /nfs/dbraw/zinc/21/78/39/949217839.db2.gz XRIHAFMSPCKHCJ-STQMWFEESA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(Cl)cc1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574937224 949219306 /nfs/dbraw/zinc/21/93/06/949219306.db2.gz MVAUCRPNTJXXDT-LLVKDONJSA-N -1 1 386.847 1.494 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(Cl)cc1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574937224 949219327 /nfs/dbraw/zinc/21/93/27/949219327.db2.gz MVAUCRPNTJXXDT-LLVKDONJSA-N -1 1 386.847 1.494 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@@H](C)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574451230 949220626 /nfs/dbraw/zinc/22/06/26/949220626.db2.gz HRGCTHJPINAUET-ZJUUUORDSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@@H](C)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574451230 949220648 /nfs/dbraw/zinc/22/06/48/949220648.db2.gz HRGCTHJPINAUET-ZJUUUORDSA-N -1 1 387.473 1.856 20 0 GDADMM C[C@@H](CNC(=O)C[C@@H]1C[C@H]1Cc1ccccc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574936876 949221990 /nfs/dbraw/zinc/22/19/90/949221990.db2.gz LRXXAGGKAAAXRN-IMJJTQAJSA-N -1 1 392.467 1.842 20 0 GDADMM C[C@@H](CNC(=O)C[C@@H]1C[C@H]1Cc1ccccc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574936876 949222003 /nfs/dbraw/zinc/22/20/03/949222003.db2.gz LRXXAGGKAAAXRN-IMJJTQAJSA-N -1 1 392.467 1.842 20 0 GDADMM CC1(Nc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)C[C@H]2CCCCO2)CC1 ZINC001575854028 949224482 /nfs/dbraw/zinc/22/44/82/949224482.db2.gz YSZCVNLMSVCDQI-CYBMUJFWSA-N -1 1 386.460 1.409 20 0 GDADMM CC1(Nc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)C[C@H]2CCCCO2)CC1 ZINC001575854028 949224505 /nfs/dbraw/zinc/22/45/05/949224505.db2.gz YSZCVNLMSVCDQI-CYBMUJFWSA-N -1 1 386.460 1.409 20 0 GDADMM CC(C)CC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1c1nccnc1-c1nnn[n-]1 ZINC001574103132 949227724 /nfs/dbraw/zinc/22/77/24/949227724.db2.gz LGJBKMOSZDQUNZ-XGUBFFRZSA-N -1 1 382.472 1.376 20 0 GDADMM CC(C)CC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1c1nccnc1-c1nn[n-]n1 ZINC001574103132 949227733 /nfs/dbraw/zinc/22/77/33/949227733.db2.gz LGJBKMOSZDQUNZ-XGUBFFRZSA-N -1 1 382.472 1.376 20 0 GDADMM CC(C)c1oncc1C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCC1 ZINC001574451346 949234405 /nfs/dbraw/zinc/23/44/05/949234405.db2.gz NFNRPYIQMXKKFQ-UHFFFAOYSA-N -1 1 383.416 1.533 20 0 GDADMM CC(C)c1oncc1C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCC1 ZINC001574451346 949234428 /nfs/dbraw/zinc/23/44/28/949234428.db2.gz NFNRPYIQMXKKFQ-UHFFFAOYSA-N -1 1 383.416 1.533 20 0 GDADMM CC(C)c1scnc1C(=O)NC[C@@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574451731 949242273 /nfs/dbraw/zinc/24/22/73/949242273.db2.gz WFTUCYRPBQUZRK-SNVBAGLBSA-N -1 1 387.473 1.491 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(Cl)c(F)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001574938515 949245413 /nfs/dbraw/zinc/24/54/13/949245413.db2.gz XKRNCPIREBMMJY-SECBINFHSA-N -1 1 390.810 1.609 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc(Cl)c(F)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001574938515 949245435 /nfs/dbraw/zinc/24/54/35/949245435.db2.gz XKRNCPIREBMMJY-SECBINFHSA-N -1 1 390.810 1.609 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H](C)c1cccc(F)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001574700301 949253491 /nfs/dbraw/zinc/25/34/91/949253491.db2.gz ZBRZTYYOJKDGHE-RYUDHWBXSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H](C)c1cccc(F)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001574700301 949253515 /nfs/dbraw/zinc/25/35/15/949253515.db2.gz ZBRZTYYOJKDGHE-RYUDHWBXSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@@H](NC(=O)C1(CCF)CC1)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575256488 949254892 /nfs/dbraw/zinc/25/48/92/949254892.db2.gz VVVCZHWQBIIGPC-CHWSQXEVSA-N -1 1 388.451 1.518 20 0 GDADMM C[C@@H](NC(=O)C1(CCF)CC1)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575256488 949254908 /nfs/dbraw/zinc/25/49/08/949254908.db2.gz VVVCZHWQBIIGPC-CHWSQXEVSA-N -1 1 388.451 1.518 20 0 GDADMM C[C@@H](NC(=O)C1(CCF)CC1)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575256837 949263282 /nfs/dbraw/zinc/26/32/82/949263282.db2.gz XHAKYBBHSWIJJC-CHWSQXEVSA-N -1 1 388.451 1.518 20 0 GDADMM C[C@@H](NC(=O)C1(CCF)CC1)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575256837 949263302 /nfs/dbraw/zinc/26/33/02/949263302.db2.gz XHAKYBBHSWIJJC-CHWSQXEVSA-N -1 1 388.451 1.518 20 0 GDADMM C[C@@H](NC(=O)C1(F)CCCC1)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575257096 949265757 /nfs/dbraw/zinc/26/57/57/949265757.db2.gz YCJIDYLTNWSUKB-CHWSQXEVSA-N -1 1 388.451 1.660 20 0 GDADMM C[C@@H](NC(=O)C1(F)CCCC1)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575257096 949265775 /nfs/dbraw/zinc/26/57/75/949265775.db2.gz YCJIDYLTNWSUKB-CHWSQXEVSA-N -1 1 388.451 1.660 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc2cnccc2c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574940888 949278553 /nfs/dbraw/zinc/27/85/53/949278553.db2.gz LUIOSWAOFCMTIX-GFCCVEGCSA-N -1 1 389.423 1.364 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc2cnccc2c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574940888 949278578 /nfs/dbraw/zinc/27/85/78/949278578.db2.gz LUIOSWAOFCMTIX-GFCCVEGCSA-N -1 1 389.423 1.364 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cnco1 ZINC001576153845 949299205 /nfs/dbraw/zinc/29/92/05/949299205.db2.gz BQNWYICZVCLSAG-PIGZYNQJSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cnco1 ZINC001576153845 949299225 /nfs/dbraw/zinc/29/92/25/949299225.db2.gz BQNWYICZVCLSAG-PIGZYNQJSA-N -1 1 383.416 1.436 20 0 GDADMM CC(C)CC(=O)N1CCCC[C@H]1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001574109283 949315671 /nfs/dbraw/zinc/31/56/71/949315671.db2.gz WREIWSFKEOOXRX-ZDUSSCGKSA-N -1 1 376.486 1.972 20 0 GDADMM CC1=C(C)C[C@@H](C(=O)N(C)[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001575861223 949320083 /nfs/dbraw/zinc/32/00/83/949320083.db2.gz QJRWKDBCYYDTIZ-GJZGRUSLSA-N -1 1 382.472 1.830 20 0 GDADMM CC1=C(C)C[C@@H](C(=O)N(C)[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001575861223 949320102 /nfs/dbraw/zinc/32/01/02/949320102.db2.gz QJRWKDBCYYDTIZ-GJZGRUSLSA-N -1 1 382.472 1.830 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@]1(C)CCc2ccccc21)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574703401 949328570 /nfs/dbraw/zinc/32/85/70/949328570.db2.gz VRKLBBCGZFHIBI-XCLFUZPHSA-N -1 1 392.467 1.820 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@]1(C)CCc2ccccc21)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574703401 949328589 /nfs/dbraw/zinc/32/85/89/949328589.db2.gz VRKLBBCGZFHIBI-XCLFUZPHSA-N -1 1 392.467 1.820 20 0 GDADMM CC1(c2ncc(C(=O)NCc3ccc(-c4nn[n-]n4)s3)s2)OCCO1 ZINC001575861896 949337728 /nfs/dbraw/zinc/33/77/28/949337728.db2.gz WNOSWPQJXWECFJ-UHFFFAOYSA-N -1 1 378.439 1.534 20 0 GDADMM CC1=CC[C@@](C)(C(=O)N[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)CC1 ZINC001575863717 949351192 /nfs/dbraw/zinc/35/11/92/949351192.db2.gz DDNDFELQDWKYLH-PJIJBLCYSA-N -1 1 382.472 1.734 20 0 GDADMM CC1=CC[C@@](C)(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)CC1 ZINC001575863717 949351218 /nfs/dbraw/zinc/35/12/18/949351218.db2.gz DDNDFELQDWKYLH-PJIJBLCYSA-N -1 1 382.472 1.734 20 0 GDADMM C[C@H]1CCC[C@@H](C(=O)N2CCC(N(C)c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576154955 949372959 /nfs/dbraw/zinc/37/29/59/949372959.db2.gz RXKXDPJYMPRWNC-UONOGXRCSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CCC[C@@H](C(=O)N2CCC(N(C)c3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001576154955 949372983 /nfs/dbraw/zinc/37/29/83/949372983.db2.gz RXKXDPJYMPRWNC-UONOGXRCSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCC[C@H](C(=O)NC2(C)CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576155045 949377874 /nfs/dbraw/zinc/37/78/74/949377874.db2.gz SLKJTRLEFDNUBH-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCC[C@H](C(=O)NC2(C)CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001576155045 949377896 /nfs/dbraw/zinc/37/78/96/949377896.db2.gz SLKJTRLEFDNUBH-KGLIPLIRSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574463796 949381682 /nfs/dbraw/zinc/38/16/82/949381682.db2.gz ANJUQTORGAXSKQ-JOCQHMNTSA-N -1 1 381.444 1.660 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574463796 949381700 /nfs/dbraw/zinc/38/17/00/949381700.db2.gz ANJUQTORGAXSKQ-JOCQHMNTSA-N -1 1 381.444 1.660 20 0 GDADMM CC(C)n1cccc1C(=O)NCCN(c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001574463826 949385665 /nfs/dbraw/zinc/38/56/65/949385665.db2.gz BUNNUGOIZYOYDF-UHFFFAOYSA-N -1 1 381.444 1.438 20 0 GDADMM CC(C)n1cccc1C(=O)NCCN(c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001574463826 949385672 /nfs/dbraw/zinc/38/56/72/949385672.db2.gz BUNNUGOIZYOYDF-UHFFFAOYSA-N -1 1 381.444 1.438 20 0 GDADMM C[C@@H]1CCC[C@H](C(=O)NCC2(O)CN(Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001576155125 949386535 /nfs/dbraw/zinc/38/65/35/949386535.db2.gz SZRYFAQIQWVYHA-OLZOCXBDSA-N -1 1 390.513 1.417 20 0 GDADMM CC1(C)CN(C(=O)[C@]2(C)CCCOC2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575528194 949388855 /nfs/dbraw/zinc/38/88/55/949388855.db2.gz OLGLZOJGSVUWOR-FZKQIMNGSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CN(C(=O)[C@]2(C)CCCOC2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575528194 949388876 /nfs/dbraw/zinc/38/88/76/949388876.db2.gz OLGLZOJGSVUWOR-FZKQIMNGSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H]1[C@H](NC(=O)C(C2CC2)C2CC2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575866131 949399142 /nfs/dbraw/zinc/39/91/42/949399142.db2.gz DDPQHCHLWVUGEV-SMDDNHRTSA-N -1 1 382.472 1.566 20 0 GDADMM C[C@H]1[C@H](NC(=O)C(C2CC2)C2CC2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575866131 949399163 /nfs/dbraw/zinc/39/91/63/949399163.db2.gz DDPQHCHLWVUGEV-SMDDNHRTSA-N -1 1 382.472 1.566 20 0 GDADMM C[C@@H](C(=O)[O-])C(=O)N1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1 ZINC001602802418 971578101 /nfs/dbraw/zinc/57/81/01/971578101.db2.gz UFGNUWOZNRETMN-ICCXJUOJSA-N -1 1 390.333 1.909 20 0 GDADMM C[C@H]1CCC[C@@H]1CC(=O)N(C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576155901 949422601 /nfs/dbraw/zinc/42/26/01/949422601.db2.gz VYAWBNXCRVNBDN-UONOGXRCSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CCC[C@@H]1CC(=O)N(C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576155901 949422606 /nfs/dbraw/zinc/42/26/06/949422606.db2.gz VYAWBNXCRVNBDN-UONOGXRCSA-N -1 1 384.488 1.910 20 0 GDADMM CC1(C(=O)N2C[C@@H]3CCC[C@H](Nc4cncc(-c5nnn[n-]5)n4)[C@@H]3C2)CCC1 ZINC001575534127 949425230 /nfs/dbraw/zinc/42/52/30/949425230.db2.gz JYHSWDFLBWQAMQ-MJBXVCDLSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(C(=O)N2C[C@@H]3CCC[C@H](Nc4cncc(-c5nn[n-]n5)n4)[C@@H]3C2)CCC1 ZINC001575534127 949425243 /nfs/dbraw/zinc/42/52/43/949425243.db2.gz JYHSWDFLBWQAMQ-MJBXVCDLSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@]1(C(=O)N2CCC(CCNc3cncc(-c4nnn[n-]4)n3)CC2)CCOC1 ZINC001575534802 949430448 /nfs/dbraw/zinc/43/04/48/949430448.db2.gz PWMVUSYFZXFTLB-SFHVURJKSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@]1(C(=O)N2CCC(CCNc3cncc(-c4nn[n-]n4)n3)CC2)CCOC1 ZINC001575534802 949430468 /nfs/dbraw/zinc/43/04/68/949430468.db2.gz PWMVUSYFZXFTLB-SFHVURJKSA-N -1 1 386.460 1.124 20 0 GDADMM CC1(C(=O)N2C[C@@H]3CCC[C@@H](Nc4ccnc(-c5nn[n-]n5)n4)[C@@H]3C2)CCC1 ZINC001575534903 949437346 /nfs/dbraw/zinc/43/73/46/949437346.db2.gz RXOBOMHENGVKKR-BFHYXJOUSA-N -1 1 382.472 1.308 20 0 GDADMM C[C@H](CNC(=O)Cc1csc(C2CC2)n1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574946645 949438204 /nfs/dbraw/zinc/43/82/04/949438204.db2.gz WZIFGUODJQQOMP-SECBINFHSA-N -1 1 385.457 1.150 20 0 GDADMM C[C@H](CNC(=O)Cc1csc(C2CC2)n1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574946645 949438215 /nfs/dbraw/zinc/43/82/15/949438215.db2.gz WZIFGUODJQQOMP-SECBINFHSA-N -1 1 385.457 1.150 20 0 GDADMM C[C@H]1CCC[C@@H](OCC(=O)N(C)CCN(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576156462 949446530 /nfs/dbraw/zinc/44/65/30/949446530.db2.gz YNCSQXBKJRDGET-UONOGXRCSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@H]1CCC[C@@H](OCC(=O)N(C)CCN(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576156462 949446547 /nfs/dbraw/zinc/44/65/47/949446547.db2.gz YNCSQXBKJRDGET-UONOGXRCSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@@H]1CCC[C@H]1CC(=O)N(C)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001576156697 949454615 /nfs/dbraw/zinc/45/46/15/949454615.db2.gz ZCPAXLZHOLWGHX-KGLIPLIRSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCC[C@H]1CC(=O)N(C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001576156697 949454627 /nfs/dbraw/zinc/45/46/27/949454627.db2.gz ZCPAXLZHOLWGHX-KGLIPLIRSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@]1(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)CCc2ccccc21 ZINC001575536802 949476619 /nfs/dbraw/zinc/47/66/19/949476619.db2.gz MFSWUXQUABHOFM-VBKZILBWSA-N -1 1 390.451 1.574 20 0 GDADMM C[C@@]1(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)CCc2ccccc21 ZINC001575536802 949476629 /nfs/dbraw/zinc/47/66/29/949476629.db2.gz MFSWUXQUABHOFM-VBKZILBWSA-N -1 1 390.451 1.574 20 0 GDADMM CC(C)n1cnc(C(=O)N[C@H]2C[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001574469233 949477447 /nfs/dbraw/zinc/47/74/47/949477447.db2.gz ZGCZVSCRMSZPAD-HAQNSBGRSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cnc(C(=O)N[C@H]2C[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001574469233 949477469 /nfs/dbraw/zinc/47/74/69/949477469.db2.gz ZGCZVSCRMSZPAD-HAQNSBGRSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2(C(F)F)CCC2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575870278 949487018 /nfs/dbraw/zinc/48/70/18/949487018.db2.gz UGBZMSFVMFSYMU-MNOVXSKESA-N -1 1 392.414 1.566 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2(C(F)F)CCC2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575870278 949487026 /nfs/dbraw/zinc/48/70/26/949487026.db2.gz UGBZMSFVMFSYMU-MNOVXSKESA-N -1 1 392.414 1.566 20 0 GDADMM CC(C)CC(=O)NC[C@@H]1Cc2ccccc2CN1c1ccc(-c2nnn[n-]2)nn1 ZINC001574122044 949521269 /nfs/dbraw/zinc/52/12/69/949521269.db2.gz UCKGYARCTGPOCK-INIZCTEOSA-N -1 1 392.467 1.750 20 0 GDADMM CC(C)CC(=O)NC[C@@H]1Cc2ccccc2CN1c1ccc(-c2nn[n-]n2)nn1 ZINC001574122044 949521286 /nfs/dbraw/zinc/52/12/86/949521286.db2.gz UCKGYARCTGPOCK-INIZCTEOSA-N -1 1 392.467 1.750 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CCCF ZINC001576159967 949522616 /nfs/dbraw/zinc/52/26/16/949522616.db2.gz YIZAPCHIKAQICW-PXAZEXFGSA-N -1 1 376.440 1.883 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CCCF ZINC001576159967 949522631 /nfs/dbraw/zinc/52/26/31/949522631.db2.gz YIZAPCHIKAQICW-PXAZEXFGSA-N -1 1 376.440 1.883 20 0 GDADMM CC(C)CC(=O)NC[C@]1(O)CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001574122429 949527807 /nfs/dbraw/zinc/52/78/07/949527807.db2.gz WEIWCGVRAAECOZ-CQSZACIVSA-N -1 1 385.881 1.080 20 0 GDADMM CC(C)CC(=O)NC[C@]1(O)CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001574122429 949527830 /nfs/dbraw/zinc/52/78/30/949527830.db2.gz WEIWCGVRAAECOZ-CQSZACIVSA-N -1 1 385.881 1.080 20 0 GDADMM C[C@H]1[C@H](NC(=O)CCC(C)(F)F)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575872665 949551097 /nfs/dbraw/zinc/55/10/97/949551097.db2.gz KRYQTAXIQGNNHV-WDEREUQCSA-N -1 1 380.403 1.566 20 0 GDADMM C[C@H]1[C@H](NC(=O)CCC(C)(F)F)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575872665 949551107 /nfs/dbraw/zinc/55/11/07/949551107.db2.gz KRYQTAXIQGNNHV-WDEREUQCSA-N -1 1 380.403 1.566 20 0 GDADMM CC1(C(=O)N2CCC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CC(F)(F)C1 ZINC001575539610 949552863 /nfs/dbraw/zinc/55/28/63/949552863.db2.gz RPYIGBDPFYZSNI-NSHDSACASA-N -1 1 392.414 1.743 20 0 GDADMM CC1(C(=O)N2CCC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CC(F)(F)C1 ZINC001575539610 949552880 /nfs/dbraw/zinc/55/28/80/949552880.db2.gz RPYIGBDPFYZSNI-NSHDSACASA-N -1 1 392.414 1.743 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2CC(F)(F)C2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575872712 949558331 /nfs/dbraw/zinc/55/83/31/949558331.db2.gz LBKBASQDTQGMLR-KOLCDFICSA-N -1 1 378.387 1.176 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2CC(F)(F)C2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575872712 949558350 /nfs/dbraw/zinc/55/83/50/949558350.db2.gz LBKBASQDTQGMLR-KOLCDFICSA-N -1 1 378.387 1.176 20 0 GDADMM C[C@H]1CCCN(C(=O)C2CCCCC2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576165973 949573173 /nfs/dbraw/zinc/57/31/73/949573173.db2.gz KREGWEYOKOZWQO-ZFWWWQNUSA-N -1 1 384.488 1.698 20 0 GDADMM CC(C)C[C@H](C(=O)NC[C@H](C)Nc1nccnc1-c1nnn[n-]1)n1ccnc1 ZINC001574125032 949578949 /nfs/dbraw/zinc/57/89/49/949578949.db2.gz NIZJLMDYPBPMCZ-QWHCGFSZSA-N -1 1 384.448 1.057 20 0 GDADMM CC(C)C[C@H](C(=O)NC[C@H](C)Nc1nccnc1-c1nn[n-]n1)n1ccnc1 ZINC001574125032 949578958 /nfs/dbraw/zinc/57/89/58/949578958.db2.gz NIZJLMDYPBPMCZ-QWHCGFSZSA-N -1 1 384.448 1.057 20 0 GDADMM C[C@@H](Nc1nc(-c2nn[n-]n2)c(Cl)s1)[C@H](C)NC(=O)CC1(O)CCC1 ZINC001575270296 949581112 /nfs/dbraw/zinc/58/11/12/949581112.db2.gz ZEMXZUNRFVDTPX-JGVFFNPUSA-N -1 1 385.881 1.587 20 0 GDADMM C[C@@H](CN(C)C(=O)CC(C)(C)C(F)(F)F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574712875 949590487 /nfs/dbraw/zinc/59/04/87/949590487.db2.gz UTCMLFPDEOARJH-VIFPVBQESA-N -1 1 386.382 1.894 20 0 GDADMM C[C@@H](CN(C)C(=O)CC(C)(C)C(F)(F)F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574712875 949590504 /nfs/dbraw/zinc/59/05/04/949590504.db2.gz UTCMLFPDEOARJH-VIFPVBQESA-N -1 1 386.382 1.894 20 0 GDADMM CC(C)C[C@H](C(=O)N[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1)n1ccnc1 ZINC001574125545 949591983 /nfs/dbraw/zinc/59/19/83/949591983.db2.gz SKIRWBGRRGSCGH-GXTWGEPZSA-N -1 1 384.448 1.057 20 0 GDADMM C[C@H]1CCCN(C(=O)C2=COCCC2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576167086 949600682 /nfs/dbraw/zinc/60/06/82/949600682.db2.gz OONRFZMRUDNJQU-WFASDCNBSA-N -1 1 384.444 1.390 20 0 GDADMM C[C@H]1CCCN(C(=O)C2=COCCC2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576167086 949600703 /nfs/dbraw/zinc/60/07/03/949600703.db2.gz OONRFZMRUDNJQU-WFASDCNBSA-N -1 1 384.444 1.390 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CCc2ccco2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575874837 949624151 /nfs/dbraw/zinc/62/41/51/949624151.db2.gz HIPQQBPSFFLQRT-JSGCOSHPSA-N -1 1 382.428 1.356 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CCc2ccco2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575874837 949624157 /nfs/dbraw/zinc/62/41/57/949624157.db2.gz HIPQQBPSFFLQRT-JSGCOSHPSA-N -1 1 382.428 1.356 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)NC[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574957617 949625561 /nfs/dbraw/zinc/62/55/61/949625561.db2.gz CSPWXUCTDFAFHD-UONOGXRCSA-N -1 1 380.456 1.700 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)NC[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574957617 949625576 /nfs/dbraw/zinc/62/55/76/949625576.db2.gz CSPWXUCTDFAFHD-UONOGXRCSA-N -1 1 380.456 1.700 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@H]1CCC(C)(C)CO1)Nc1nccnc1-c1nnn[n-]1 ZINC001574714435 949627758 /nfs/dbraw/zinc/62/77/58/949627758.db2.gz DATQKOPEALSBLA-QWHCGFSZSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@H]1CCC(C)(C)CO1)Nc1nccnc1-c1nn[n-]n1 ZINC001574714435 949627778 /nfs/dbraw/zinc/62/77/78/949627778.db2.gz DATQKOPEALSBLA-QWHCGFSZSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)COC2CCCC2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575875483 949631738 /nfs/dbraw/zinc/63/17/38/949631738.db2.gz IISOHAQEXUEYSH-OCCSQVGLSA-N -1 1 386.460 1.089 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)COC2CCCC2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575875483 949631753 /nfs/dbraw/zinc/63/17/53/949631753.db2.gz IISOHAQEXUEYSH-OCCSQVGLSA-N -1 1 386.460 1.089 20 0 GDADMM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1)CC(C)(C)C ZINC001574477130 949640092 /nfs/dbraw/zinc/64/00/92/949640092.db2.gz OTLSUUBNYAQYAU-QWHCGFSZSA-N -1 1 390.492 1.350 20 0 GDADMM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1)CC(C)(C)C ZINC001574477130 949640103 /nfs/dbraw/zinc/64/01/03/949640103.db2.gz OTLSUUBNYAQYAU-QWHCGFSZSA-N -1 1 390.492 1.350 20 0 GDADMM C[C@H]1CCCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576168570 949644168 /nfs/dbraw/zinc/64/41/68/949644168.db2.gz BZFRGYAKTRMNIE-ZHMBSYLPSA-N -1 1 382.472 1.742 20 0 GDADMM C[C@H]1CCCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576168570 949644175 /nfs/dbraw/zinc/64/41/75/949644175.db2.gz BZFRGYAKTRMNIE-ZHMBSYLPSA-N -1 1 382.472 1.742 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)Cc1ccccc1 ZINC001573814631 949644672 /nfs/dbraw/zinc/64/46/72/949644672.db2.gz DWHIOUOENRSVLT-HNNXBMFYSA-N -1 1 380.456 1.842 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)Cc1ccccc1 ZINC001573814631 949644678 /nfs/dbraw/zinc/64/46/78/949644678.db2.gz DWHIOUOENRSVLT-HNNXBMFYSA-N -1 1 380.456 1.842 20 0 GDADMM C[C@@H]1CCCC[C@H]1OCC(=O)N(C)CCN(C)c1nccnc1-c1nnn[n-]1 ZINC001576168551 949645665 /nfs/dbraw/zinc/64/56/65/949645665.db2.gz VGEYYJAXIIZKRR-ZIAGYGMSSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@@H]1CCCC[C@H]1OCC(=O)N(C)CCN(C)c1nccnc1-c1nn[n-]n1 ZINC001576168551 949645677 /nfs/dbraw/zinc/64/56/77/949645677.db2.gz VGEYYJAXIIZKRR-ZIAGYGMSSA-N -1 1 388.476 1.147 20 0 GDADMM C[C@H](NC(=O)CCCc1cccnc1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575272633 949650121 /nfs/dbraw/zinc/65/01/21/949650121.db2.gz RJUCDRHSHWKBSS-STQMWFEESA-N -1 1 381.444 1.380 20 0 GDADMM C[C@H](NC(=O)CCCc1cccnc1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575272633 949650133 /nfs/dbraw/zinc/65/01/33/949650133.db2.gz RJUCDRHSHWKBSS-STQMWFEESA-N -1 1 381.444 1.380 20 0 GDADMM C[C@@H](CNC(=O)[C@H](C)OCc1ccccc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574958138 949657717 /nfs/dbraw/zinc/65/77/17/949657717.db2.gz LRHIIFHVYXHYCO-STQMWFEESA-N -1 1 382.428 1.179 20 0 GDADMM C[C@@H](CNC(=O)[C@H](C)OCc1ccccc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574958138 949657743 /nfs/dbraw/zinc/65/77/43/949657743.db2.gz LRHIIFHVYXHYCO-STQMWFEESA-N -1 1 382.428 1.179 20 0 GDADMM CCC[C@@H]1CN(C(=O)NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)CCN1CCOC ZINC001589639467 949660188 /nfs/dbraw/zinc/66/01/88/949660188.db2.gz YCHBYXMXWJCJCP-MUZJZNNISA-N -1 1 397.516 1.541 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1CCC(F)CC1 ZINC001573815945 949667621 /nfs/dbraw/zinc/66/76/21/949667621.db2.gz MFQSFUHZEIJPOQ-WXRRBKDZSA-N -1 1 390.467 1.550 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1(F)CCCCC1 ZINC001573816182 949669716 /nfs/dbraw/zinc/66/97/16/949669716.db2.gz PMPXIWBNJULPTO-GFCCVEGCSA-N -1 1 390.467 1.694 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@H]1CCC(C)(C)CO1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574715838 949670665 /nfs/dbraw/zinc/67/06/65/949670665.db2.gz LHTFNVWHYLIXPL-CHWSQXEVSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@H]1CCC(C)(C)CO1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574715838 949670680 /nfs/dbraw/zinc/67/06/80/949670680.db2.gz LHTFNVWHYLIXPL-CHWSQXEVSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001574477631 949671801 /nfs/dbraw/zinc/67/18/01/949671801.db2.gz SUAQZHKZLGHCPL-QWHCGFSZSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001574477631 949671815 /nfs/dbraw/zinc/67/18/15/949671815.db2.gz SUAQZHKZLGHCPL-QWHCGFSZSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@@H](NC(=O)CCc1ccccc1F)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575275894 949707317 /nfs/dbraw/zinc/70/73/17/949707317.db2.gz FPWOXFDJXAKTRG-VXGBXAGGSA-N -1 1 384.419 1.734 20 0 GDADMM C[C@@H](NC(=O)CCc1ccccc1F)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575275894 949707327 /nfs/dbraw/zinc/70/73/27/949707327.db2.gz FPWOXFDJXAKTRG-VXGBXAGGSA-N -1 1 384.419 1.734 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C1(C(F)F)CC1 ZINC001573818115 949718504 /nfs/dbraw/zinc/71/85/04/949718504.db2.gz GKYNOWAXRLSHCW-JTQLQIEISA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C1(C(F)F)CC1 ZINC001573818115 949718518 /nfs/dbraw/zinc/71/85/18/949718518.db2.gz GKYNOWAXRLSHCW-JTQLQIEISA-N -1 1 380.403 1.645 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CCc2ccoc2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575881455 949719809 /nfs/dbraw/zinc/71/98/09/949719809.db2.gz XTNUAQDHZYKWCB-TZMCWYRMSA-N -1 1 382.428 1.356 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CCc2ccoc2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575881455 949719828 /nfs/dbraw/zinc/71/98/28/949719828.db2.gz XTNUAQDHZYKWCB-TZMCWYRMSA-N -1 1 382.428 1.356 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574478805 949722072 /nfs/dbraw/zinc/72/20/72/949722072.db2.gz ASULXJLALYQKGL-UONOGXRCSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H]1CCCN(C(=O)COC(C)(C)C)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576170655 949727729 /nfs/dbraw/zinc/72/77/29/949727729.db2.gz MOFKZSHNMLHEQN-TZMCWYRMSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H]1CCCN(C(=O)COC(C)(C)C)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576170655 949727751 /nfs/dbraw/zinc/72/77/51/949727751.db2.gz MOFKZSHNMLHEQN-TZMCWYRMSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574960442 949729112 /nfs/dbraw/zinc/72/91/12/949729112.db2.gz XEOZNLAMSYODNT-AEGPPILISA-N -1 1 378.440 1.401 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574960442 949729123 /nfs/dbraw/zinc/72/91/23/949729123.db2.gz XEOZNLAMSYODNT-AEGPPILISA-N -1 1 378.440 1.401 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@H]1CCC(C)(C)CO1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574717358 949730738 /nfs/dbraw/zinc/73/07/38/949730738.db2.gz VKIDXSGTBKXSPI-CHWSQXEVSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@H]1CCC(C)(C)CO1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574717358 949730754 /nfs/dbraw/zinc/73/07/54/949730754.db2.gz VKIDXSGTBKXSPI-CHWSQXEVSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C1CCCCC1 ZINC001574479298 949735153 /nfs/dbraw/zinc/73/51/53/949735153.db2.gz DMXPCGFMHGOMGQ-DZGCQCFKSA-N -1 1 384.488 1.698 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[C@H]1CCCOC1 ZINC001573818528 949736488 /nfs/dbraw/zinc/73/64/88/949736488.db2.gz NCNMAVWTZGWZRP-TZMCWYRMSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[C@H]1CCCOC1 ZINC001573818528 949736506 /nfs/dbraw/zinc/73/65/06/949736506.db2.gz NCNMAVWTZGWZRP-TZMCWYRMSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccccc1F ZINC001573818713 949739323 /nfs/dbraw/zinc/73/93/23/949739323.db2.gz OPRDFLLXZLBJLR-CYBMUJFWSA-N -1 1 384.419 1.474 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C1(CF)CCC1 ZINC001573818729 949741278 /nfs/dbraw/zinc/74/12/78/949741278.db2.gz OYTGKFIMDWBVFV-GFCCVEGCSA-N -1 1 376.440 1.739 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C1(CF)CCC1 ZINC001573818729 949741292 /nfs/dbraw/zinc/74/12/92/949741292.db2.gz OYTGKFIMDWBVFV-GFCCVEGCSA-N -1 1 376.440 1.739 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001574137760 949769014 /nfs/dbraw/zinc/76/90/14/949769014.db2.gz XEOGJWUJXORQHY-UKRRQHHQSA-N -1 1 386.504 1.800 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001574481103 949770470 /nfs/dbraw/zinc/77/04/70/949770470.db2.gz MPFTVTFRYVSITJ-HIFRSBDPSA-N -1 1 378.440 1.863 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574481103 949770483 /nfs/dbraw/zinc/77/04/83/949770483.db2.gz MPFTVTFRYVSITJ-HIFRSBDPSA-N -1 1 378.440 1.863 20 0 GDADMM C[C@@H]1CCCC[C@H]1CC(=O)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576171606 949770955 /nfs/dbraw/zinc/77/09/55/949770955.db2.gz QOOHVUHKNWMDBY-CABCVRRESA-N -1 1 384.488 1.912 20 0 GDADMM C[C@@H]1CCCC[C@H]1CC(=O)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576171606 949770975 /nfs/dbraw/zinc/77/09/75/949770975.db2.gz QOOHVUHKNWMDBY-CABCVRRESA-N -1 1 384.488 1.912 20 0 GDADMM O=C([O-])c1cnc(C(=O)N2c3ccccc3C[C@H]2CNC(=O)C(F)(F)F)cn1 ZINC001595267704 949771371 /nfs/dbraw/zinc/77/13/71/949771371.db2.gz JYFVRMMSLXTGAA-JTQLQIEISA-N -1 1 394.309 1.425 20 0 GDADMM C[C@@H](CN(C)C(=O)CCc1ccc(F)cc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574720619 949800826 /nfs/dbraw/zinc/80/08/26/949800826.db2.gz DVLCXGLPDBKGJG-LBPRGKRZSA-N -1 1 384.419 1.687 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccncc1 ZINC001574481745 949800628 /nfs/dbraw/zinc/80/06/28/949800628.db2.gz URDMRZGYCSOZDF-JSGCOSHPSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccncc1 ZINC001574481745 949800650 /nfs/dbraw/zinc/80/06/50/949800650.db2.gz URDMRZGYCSOZDF-JSGCOSHPSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@@H](CN(C)C(=O)CCc1ccc(F)cc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574720619 949800843 /nfs/dbraw/zinc/80/08/43/949800843.db2.gz DVLCXGLPDBKGJG-LBPRGKRZSA-N -1 1 384.419 1.687 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001574481795 949803758 /nfs/dbraw/zinc/80/37/58/949803758.db2.gz VPTHPHIDQWUODC-OLZOCXBDSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001574481795 949803786 /nfs/dbraw/zinc/80/37/86/949803786.db2.gz VPTHPHIDQWUODC-OLZOCXBDSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@H]1CCCN(C(=O)CCC(F)F)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576172827 949819869 /nfs/dbraw/zinc/81/98/69/949819869.db2.gz YNQVCDVZZBYJKH-CMPLNLGQSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H]1CCCN(C(=O)CCC(F)F)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576172827 949819885 /nfs/dbraw/zinc/81/98/85/949819885.db2.gz YNQVCDVZZBYJKH-CMPLNLGQSA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1 ZINC001574139914 949825281 /nfs/dbraw/zinc/82/52/81/949825281.db2.gz LJPTTYWRIMVCHZ-NHIYQJMISA-N -1 1 384.488 1.955 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1 ZINC001574139914 949825297 /nfs/dbraw/zinc/82/52/97/949825297.db2.gz LJPTTYWRIMVCHZ-NHIYQJMISA-N -1 1 384.488 1.955 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccc(F)cn1 ZINC001573823454 949828353 /nfs/dbraw/zinc/82/83/53/949828353.db2.gz XCNJJJYBMFEAJZ-LBPRGKRZSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccc(F)cn1 ZINC001573823454 949828372 /nfs/dbraw/zinc/82/83/72/949828372.db2.gz XCNJJJYBMFEAJZ-LBPRGKRZSA-N -1 1 385.407 1.447 20 0 GDADMM C[C@@H](CN(C)C(=O)CCCc1cccnc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574722240 949830232 /nfs/dbraw/zinc/83/02/32/949830232.db2.gz RGDKJQMHRAKJGT-ZDUSSCGKSA-N -1 1 381.444 1.333 20 0 GDADMM C[C@@H](CN(C)C(=O)CCCc1cccnc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574722240 949830247 /nfs/dbraw/zinc/83/02/47/949830247.db2.gz RGDKJQMHRAKJGT-ZDUSSCGKSA-N -1 1 381.444 1.333 20 0 GDADMM C[C@H](CNC(=O)[C@H]1C[C@@H]1C(F)F)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574966231 949836920 /nfs/dbraw/zinc/83/69/20/949836920.db2.gz VDZJCPWTHQZIFW-VQVTYTSYSA-N -1 1 391.835 1.819 20 0 GDADMM C[C@H](CNC(=O)[C@H]1C[C@@H]1C(F)F)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574966231 949836956 /nfs/dbraw/zinc/83/69/56/949836956.db2.gz VDZJCPWTHQZIFW-VQVTYTSYSA-N -1 1 391.835 1.819 20 0 GDADMM CC(C)(C)C12CC(C(=O)N3CCN(c4ccnc(-c5nn[n-]n5)n4)CC3)(C1)C2 ZINC001573823889 949842579 /nfs/dbraw/zinc/84/25/79/949842579.db2.gz AQANMQDWVULKAV-UHFFFAOYSA-N -1 1 382.472 1.522 20 0 GDADMM CC(C)(C)C12CC(C(=O)N3CC[C@H](Nc4cnc(-c5nnn[n-]5)cn4)C3)(C1)C2 ZINC001573824171 949847870 /nfs/dbraw/zinc/84/78/70/949847870.db2.gz DTGNBMVVAPYFCI-RMEHTXHKSA-N -1 1 382.472 1.886 20 0 GDADMM CC(C)(C)C12CC(C(=O)N3CC[C@H](Nc4cnc(-c5nn[n-]n5)cn4)C3)(C1)C2 ZINC001573824171 949847892 /nfs/dbraw/zinc/84/78/92/949847892.db2.gz DTGNBMVVAPYFCI-RMEHTXHKSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@H](CN(C)C(=O)CCOc1ccccc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574722947 949851389 /nfs/dbraw/zinc/85/13/89/949851389.db2.gz YOGSAZYZAUCWCF-CYBMUJFWSA-N -1 1 382.428 1.385 20 0 GDADMM C[C@H](CN(C)C(=O)CCOc1ccccc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574722947 949851398 /nfs/dbraw/zinc/85/13/98/949851398.db2.gz YOGSAZYZAUCWCF-CYBMUJFWSA-N -1 1 382.428 1.385 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccco2)[C@@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001576177948 949868763 /nfs/dbraw/zinc/86/87/63/949868763.db2.gz ABTSSLMCVDFZPD-TZMCWYRMSA-N -1 1 382.428 1.993 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccco2)[C@@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001576177948 949868784 /nfs/dbraw/zinc/86/87/84/949868784.db2.gz ABTSSLMCVDFZPD-TZMCWYRMSA-N -1 1 382.428 1.993 20 0 GDADMM C[C@@H](CNC(=O)c1cnc(-c2ccccc2)[nH]1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574967753 949875874 /nfs/dbraw/zinc/87/58/74/949875874.db2.gz JRYYCPURJBUVDB-NSHDSACASA-N -1 1 390.411 1.277 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2cc(Cl)c[nH]2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575886450 949887157 /nfs/dbraw/zinc/88/71/57/949887157.db2.gz MJLOYFAJWRXPHG-MWLCHTKSSA-N -1 1 387.835 1.426 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2cc(Cl)c[nH]2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575886450 949887169 /nfs/dbraw/zinc/88/71/69/949887169.db2.gz MJLOYFAJWRXPHG-MWLCHTKSSA-N -1 1 387.835 1.426 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H]2[C@H]1CCN2c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001574484855 949910737 /nfs/dbraw/zinc/91/07/37/949910737.db2.gz QAYHLQNGCQCBSC-VHDGCEQUSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H]2[C@H]1CCN2c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001574484855 949910753 /nfs/dbraw/zinc/91/07/53/949910753.db2.gz QAYHLQNGCQCBSC-VHDGCEQUSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H](CC(=O)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1)c1ccco1 ZINC001574485199 949918024 /nfs/dbraw/zinc/91/80/24/949918024.db2.gz UZCCTZBSUXOPDC-ZDUSSCGKSA-N -1 1 382.428 1.482 20 0 GDADMM C[C@@H](CC(=O)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1)c1ccco1 ZINC001574485199 949918044 /nfs/dbraw/zinc/91/80/44/949918044.db2.gz UZCCTZBSUXOPDC-ZDUSSCGKSA-N -1 1 382.428 1.482 20 0 GDADMM C[C@H]1CCN(C(=O)COC(C)(C)C)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576180130 949938208 /nfs/dbraw/zinc/93/82/08/949938208.db2.gz CHLAZVPUEXNKNM-QWHCGFSZSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@H]1CCN(C(=O)COC(C)(C)C)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576180130 949938220 /nfs/dbraw/zinc/93/82/20/949938220.db2.gz CHLAZVPUEXNKNM-QWHCGFSZSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@@H]1CCN(C(=O)C2CC(F)(F)C2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576180148 949939577 /nfs/dbraw/zinc/93/95/77/949939577.db2.gz CJQZMWLPWQERCU-PWSUYJOCSA-N -1 1 392.414 1.020 20 0 GDADMM C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574488425 949949001 /nfs/dbraw/zinc/94/90/01/949949001.db2.gz FVOHGVPRZNDWAD-JHJVBQTASA-N -1 1 382.428 1.124 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2ccc(Cl)o2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575891145 949990265 /nfs/dbraw/zinc/99/02/65/949990265.db2.gz FPEYDNKNMJLJQJ-NXEZZACHSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2ccc(Cl)o2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575891145 949990287 /nfs/dbraw/zinc/99/02/87/949990287.db2.gz FPEYDNKNMJLJQJ-NXEZZACHSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2ccc(Cl)[nH]2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575891250 949995059 /nfs/dbraw/zinc/99/50/59/949995059.db2.gz GYHZQFPSFOIYEK-VHSXEESVSA-N -1 1 387.835 1.426 20 0 GDADMM CC1(C(=O)NC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C2CC2)CC(F)(F)C1 ZINC001575573852 950006639 /nfs/dbraw/zinc/00/66/39/950006639.db2.gz PTUSCHMIIALILF-JTQLQIEISA-N -1 1 378.387 1.399 20 0 GDADMM CC1(C(=O)NC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C2CC2)CC(F)(F)C1 ZINC001575573852 950006663 /nfs/dbraw/zinc/00/66/63/950006663.db2.gz PTUSCHMIIALILF-JTQLQIEISA-N -1 1 378.387 1.399 20 0 GDADMM CC(C)(C)CC(=O)NC1(C2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)CC1 ZINC001573834747 950023851 /nfs/dbraw/zinc/02/38/51/950023851.db2.gz JYKRFZGDXSPTDI-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1cc[nH]n1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574730409 950033758 /nfs/dbraw/zinc/03/37/58/950033758.db2.gz RYEDUXRWUHCRNL-SSDOTTSWSA-N -1 1 381.853 1.201 20 0 GDADMM C[C@H]1CCN(C(=O)CCC2(C)CC2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576182023 950034581 /nfs/dbraw/zinc/03/45/81/950034581.db2.gz KMQRZMCZGIWOAX-UONOGXRCSA-N -1 1 384.488 1.555 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2ccccc2O)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575892294 950063195 /nfs/dbraw/zinc/06/31/95/950063195.db2.gz VKHUXDMUBWSXSW-WCQYABFASA-N -1 1 380.412 1.150 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2ccccc2O)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575892294 950063217 /nfs/dbraw/zinc/06/32/17/950063217.db2.gz VKHUXDMUBWSXSW-WCQYABFASA-N -1 1 380.412 1.150 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cocn2)[C@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001576182754 950065872 /nfs/dbraw/zinc/06/58/72/950065872.db2.gz PFZZJUVZCMZCEY-FZMZJTMJSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cocn2)[C@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001576182754 950065891 /nfs/dbraw/zinc/06/58/91/950065891.db2.gz PFZZJUVZCMZCEY-FZMZJTMJSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@H]1CCN(C(=O)C2(C3CC3)CC2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576183363 950087579 /nfs/dbraw/zinc/08/75/79/950087579.db2.gz QAGDITSSAMSKNY-QWHCGFSZSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@H]1CCN(C(=O)C2(C3CC3)CC2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576183363 950087596 /nfs/dbraw/zinc/08/75/96/950087596.db2.gz QAGDITSSAMSKNY-QWHCGFSZSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@@H](CC(=O)NC1(CNc2cncc(-c3nnn[n-]3)n2)CCOCC1)C1CC1 ZINC001574492481 950088112 /nfs/dbraw/zinc/08/81/12/950088112.db2.gz NGWWFWWXGCNPBM-LBPRGKRZSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](CC(=O)NC1(CNc2cncc(-c3nn[n-]n3)n2)CCOCC1)C1CC1 ZINC001574492481 950088134 /nfs/dbraw/zinc/08/81/34/950088134.db2.gz NGWWFWWXGCNPBM-LBPRGKRZSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)C1CCCCC1 ZINC001574492697 950096073 /nfs/dbraw/zinc/09/60/73/950096073.db2.gz OQHBCQROJXGTJT-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)C1CCCCC1 ZINC001574492697 950096092 /nfs/dbraw/zinc/09/60/92/950096092.db2.gz OQHBCQROJXGTJT-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccc[nH]2)[C@@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576183748 950101072 /nfs/dbraw/zinc/10/10/72/950101072.db2.gz UJENTDXQTCNRHD-IUODEOHRSA-N -1 1 381.444 1.728 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccc[nH]2)[C@@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576183748 950101082 /nfs/dbraw/zinc/10/10/82/950101082.db2.gz UJENTDXQTCNRHD-IUODEOHRSA-N -1 1 381.444 1.728 20 0 GDADMM C[C@H](CN(C)C(=O)Cn1cccn1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574733274 950106769 /nfs/dbraw/zinc/10/67/69/950106769.db2.gz XMMYOSYXFYLSMA-MRVPVSSYSA-N -1 1 381.853 1.132 20 0 GDADMM C[C@H](CN(C)C(=O)Cn1cccn1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574733274 950106786 /nfs/dbraw/zinc/10/67/86/950106786.db2.gz XMMYOSYXFYLSMA-MRVPVSSYSA-N -1 1 381.853 1.132 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C1CCCCC1 ZINC001574492963 950109847 /nfs/dbraw/zinc/10/98/47/950109847.db2.gz PUJCSEZTGIJDEX-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CNC(=O)C[C@H](C)c1ccncc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574493208 950116147 /nfs/dbraw/zinc/11/61/47/950116147.db2.gz FLLRQQCRPBFJJL-QWHCGFSZSA-N -1 1 381.444 1.186 20 0 GDADMM C[C@H](CNC(=O)C[C@H](C)c1ccncc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574493208 950116162 /nfs/dbraw/zinc/11/61/62/950116162.db2.gz FLLRQQCRPBFJJL-QWHCGFSZSA-N -1 1 381.444 1.186 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccsc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574733676 950117879 /nfs/dbraw/zinc/11/78/79/950117879.db2.gz FXVFUAPHSKJMDU-WCFLWFBJSA-N -1 1 384.469 1.781 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccsc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574733676 950117900 /nfs/dbraw/zinc/11/79/00/950117900.db2.gz FXVFUAPHSKJMDU-WCFLWFBJSA-N -1 1 384.469 1.781 20 0 GDADMM C[C@@]1(C(=O)NC[C@H]2CCCCCN2c2cnc(-c3nnn[n-]3)cn2)C=CCC1 ZINC001575582807 950129969 /nfs/dbraw/zinc/12/99/69/950129969.db2.gz GYBTWKQJOLQXKL-AUUYWEPGSA-N -1 1 382.472 1.878 20 0 GDADMM C[C@@]1(C(=O)NC[C@H]2CCCCCN2c2cnc(-c3nn[n-]n3)cn2)C=CCC1 ZINC001575582807 950129980 /nfs/dbraw/zinc/12/99/80/950129980.db2.gz GYBTWKQJOLQXKL-AUUYWEPGSA-N -1 1 382.472 1.878 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@]1(C)C[C@@H]1c1ccccc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574734411 950131811 /nfs/dbraw/zinc/13/18/11/950131811.db2.gz LWUJZXWCRLQCMW-AGKSTNPPSA-N -1 1 392.467 1.531 20 0 GDADMM CC(C)(C)CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1 ZINC001573839695 950133248 /nfs/dbraw/zinc/13/32/48/950133248.db2.gz VROFHXXUIYFPMD-STQMWFEESA-N -1 1 384.488 1.909 20 0 GDADMM CC(C)(C)CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1 ZINC001573839695 950133264 /nfs/dbraw/zinc/13/32/64/950133264.db2.gz VROFHXXUIYFPMD-STQMWFEESA-N -1 1 384.488 1.909 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccns2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576184564 950134729 /nfs/dbraw/zinc/13/47/29/950134729.db2.gz WJYQMIUVKKZLKQ-CMPLNLGQSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccns2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576184564 950134741 /nfs/dbraw/zinc/13/47/41/950134741.db2.gz WJYQMIUVKKZLKQ-CMPLNLGQSA-N -1 1 385.457 1.466 20 0 GDADMM CC(C)(C)CC(C)(C)C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001573839737 950134910 /nfs/dbraw/zinc/13/49/10/950134910.db2.gz WHZCWTDEQXOIPL-NSHDSACASA-N -1 1 376.465 1.008 20 0 GDADMM CC(C)(C)CC(C)(C)C(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001573839737 950134924 /nfs/dbraw/zinc/13/49/24/950134924.db2.gz WHZCWTDEQXOIPL-NSHDSACASA-N -1 1 376.465 1.008 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cccnc2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576184758 950142882 /nfs/dbraw/zinc/14/28/82/950142882.db2.gz XNCWUVNRHYCRLS-WFASDCNBSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cccnc2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576184758 950142888 /nfs/dbraw/zinc/14/28/88/950142888.db2.gz XNCWUVNRHYCRLS-WFASDCNBSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@@]1(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)nn3)CCCCC2)CCOC1 ZINC001575583535 950147330 /nfs/dbraw/zinc/14/73/30/950147330.db2.gz RZPXMUFQJJLFTR-QGZVFWFLSA-N -1 1 386.460 1.314 20 0 GDADMM C[C@@]1(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)nn3)CCCCC2)CCOC1 ZINC001575583535 950147342 /nfs/dbraw/zinc/14/73/42/950147342.db2.gz RZPXMUFQJJLFTR-QGZVFWFLSA-N -1 1 386.460 1.314 20 0 GDADMM C[C@]1(C(=O)NCC2(Nc3cnc(-c4nnn[n-]4)cn3)CCCC2)CCCOC1 ZINC001575583744 950155758 /nfs/dbraw/zinc/15/57/58/950155758.db2.gz UERYCBGPYUJBQD-KRWDZBQOSA-N -1 1 386.460 1.314 20 0 GDADMM C[C@]1(C(=O)NCC2(Nc3cnc(-c4nn[n-]n4)cn3)CCCC2)CCCOC1 ZINC001575583744 950155782 /nfs/dbraw/zinc/15/57/82/950155782.db2.gz UERYCBGPYUJBQD-KRWDZBQOSA-N -1 1 386.460 1.314 20 0 GDADMM C[C@H](CC(=O)NC[C@H](C)N(C)c1cncc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001574494329 950159947 /nfs/dbraw/zinc/15/99/47/950159947.db2.gz KJBVOBZCBQGLIO-KGLIPLIRSA-N -1 1 380.456 1.791 20 0 GDADMM C[C@H](CC(=O)NC[C@H](C)N(C)c1cncc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001574494329 950159958 /nfs/dbraw/zinc/15/99/58/950159958.db2.gz KJBVOBZCBQGLIO-KGLIPLIRSA-N -1 1 380.456 1.791 20 0 GDADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1C(C)(C)C1(C)C ZINC001574154089 950166353 /nfs/dbraw/zinc/16/63/53/950166353.db2.gz BCBOMLKZQONKHL-LBPRGKRZSA-N -1 1 386.504 1.704 20 0 GDADMM C[C@H](CC(=O)NC[C@H](CO)Nc1cnc(-c2nnn[n-]2)cn1)CC(C)(C)C ZINC001574494968 950192064 /nfs/dbraw/zinc/19/20/64/950192064.db2.gz QQDDBRRJIGIGEW-VXGBXAGGSA-N -1 1 376.465 1.008 20 0 GDADMM C[C@H](CC(=O)NC[C@H](CO)Nc1cnc(-c2nn[n-]n2)cn1)CC(C)(C)C ZINC001574494968 950192086 /nfs/dbraw/zinc/19/20/86/950192086.db2.gz QQDDBRRJIGIGEW-VXGBXAGGSA-N -1 1 376.465 1.008 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1ccncc1F ZINC001574155449 950193179 /nfs/dbraw/zinc/19/31/79/950193179.db2.gz LLODMNSXEYXSGN-NSHDSACASA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ccncc1F ZINC001574155449 950193191 /nfs/dbraw/zinc/19/31/91/950193191.db2.gz LLODMNSXEYXSGN-NSHDSACASA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573844566 950196955 /nfs/dbraw/zinc/19/69/55/950196955.db2.gz BMUCZVKOPMEMIA-HZSPNIEDSA-N -1 1 384.488 1.411 20 0 GDADMM CC1(C(=O)NC[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CC(F)(F)C1 ZINC001575585730 950202944 /nfs/dbraw/zinc/20/29/44/950202944.db2.gz CDJATGIZQKVYAJ-SNVBAGLBSA-N -1 1 378.387 1.035 20 0 GDADMM CC1(C(=O)NC[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CC(F)(F)C1 ZINC001575585730 950202963 /nfs/dbraw/zinc/20/29/63/950202963.db2.gz CDJATGIZQKVYAJ-SNVBAGLBSA-N -1 1 378.387 1.035 20 0 GDADMM CC1(C(=O)NC[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CC(F)(F)C1 ZINC001575585727 950203236 /nfs/dbraw/zinc/20/32/36/950203236.db2.gz CDJATGIZQKVYAJ-JTQLQIEISA-N -1 1 378.387 1.035 20 0 GDADMM CC1(C(=O)NC[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CC(F)(F)C1 ZINC001575585727 950203254 /nfs/dbraw/zinc/20/32/54/950203254.db2.gz CDJATGIZQKVYAJ-JTQLQIEISA-N -1 1 378.387 1.035 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C1CC(F)(F)C1 ZINC001574155693 950207180 /nfs/dbraw/zinc/20/71/80/950207180.db2.gz QILJJDPRPKFZLV-NSHDSACASA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C1CC(F)(F)C1 ZINC001574155693 950207193 /nfs/dbraw/zinc/20/71/93/950207193.db2.gz QILJJDPRPKFZLV-NSHDSACASA-N -1 1 380.403 1.645 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2sccc2F)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575901038 950213916 /nfs/dbraw/zinc/21/39/16/950213916.db2.gz KEVKZNJPULFKQW-GXSJLCMTSA-N -1 1 388.432 1.645 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2sccc2F)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575901038 950213932 /nfs/dbraw/zinc/21/39/32/950213932.db2.gz KEVKZNJPULFKQW-GXSJLCMTSA-N -1 1 388.432 1.645 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccccc2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576192165 950229577 /nfs/dbraw/zinc/22/95/77/950229577.db2.gz MGPVQSQWSMQMJI-HIFRSBDPSA-N -1 1 378.440 1.867 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccccc2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576192165 950229598 /nfs/dbraw/zinc/22/95/98/950229598.db2.gz MGPVQSQWSMQMJI-HIFRSBDPSA-N -1 1 378.440 1.867 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573845603 950235794 /nfs/dbraw/zinc/23/57/94/950235794.db2.gz IQRAKNVFRCACGY-MELADBBJSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573845603 950235806 /nfs/dbraw/zinc/23/58/06/950235806.db2.gz IQRAKNVFRCACGY-MELADBBJSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@@H]1C[C@H](NS(=O)(=O)c2n[nH]cc2C(=O)[O-])CCN1Cc1ccccc1 ZINC000379617742 971649187 /nfs/dbraw/zinc/64/91/87/971649187.db2.gz NNLHUGRGQCPEDG-TZMCWYRMSA-N -1 1 378.454 1.439 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cncs2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576193305 950290320 /nfs/dbraw/zinc/29/03/20/950290320.db2.gz SLQAMUZHGJLVKF-GHMZBOCLSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cncs2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576193305 950290331 /nfs/dbraw/zinc/29/03/31/950290331.db2.gz SLQAMUZHGJLVKF-GHMZBOCLSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H](CC(=O)NC[C@H](O)CNc1nccnc1-c1nnn[n-]1)C1CCCCC1 ZINC001574498863 950290753 /nfs/dbraw/zinc/29/07/53/950290753.db2.gz QMNKQTDHJHRXCJ-OCCSQVGLSA-N -1 1 388.476 1.152 20 0 GDADMM C[C@H](CC(=O)NC[C@H](O)CNc1nccnc1-c1nn[n-]n1)C1CCCCC1 ZINC001574498863 950290770 /nfs/dbraw/zinc/29/07/70/950290770.db2.gz QMNKQTDHJHRXCJ-OCCSQVGLSA-N -1 1 388.476 1.152 20 0 GDADMM C[C@@H](CC(=O)NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001574499447 950305438 /nfs/dbraw/zinc/30/54/38/950305438.db2.gz VQYYTHUPXCESMZ-HSBZDZAISA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](CC(=O)NCC1CC(Nc2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574499447 950305451 /nfs/dbraw/zinc/30/54/51/950305451.db2.gz VQYYTHUPXCESMZ-HSBZDZAISA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](CC(=O)NCC1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001574499980 950311260 /nfs/dbraw/zinc/31/12/60/950311260.db2.gz XSNFZOVLTREXNJ-XNWIYYODSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](CC(=O)NCC1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001574499980 950311279 /nfs/dbraw/zinc/31/12/79/950311279.db2.gz XSNFZOVLTREXNJ-XNWIYYODSA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1Cc2ccccc21 ZINC001574159740 950314735 /nfs/dbraw/zinc/31/47/35/950314735.db2.gz HXBKFZRIYKDTJT-ZBFHGGJFSA-N -1 1 392.467 1.939 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1Cc2ccccc21 ZINC001574159740 950314759 /nfs/dbraw/zinc/31/47/59/950314759.db2.gz HXBKFZRIYKDTJT-ZBFHGGJFSA-N -1 1 392.467 1.939 20 0 GDADMM CC1(C(=O)NCCC2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)CCCC1 ZINC001575594019 950325161 /nfs/dbraw/zinc/32/51/61/950325161.db2.gz RJIFQWDCCSJNRJ-UHFFFAOYSA-N -1 1 384.488 1.960 20 0 GDADMM CC1(C(=O)NCCC2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)CCCC1 ZINC001575594019 950325184 /nfs/dbraw/zinc/32/51/84/950325184.db2.gz RJIFQWDCCSJNRJ-UHFFFAOYSA-N -1 1 384.488 1.960 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C1CCC(O)CC1 ZINC001574160035 950327218 /nfs/dbraw/zinc/32/72/18/950327218.db2.gz KKQLDCVHWFZCLR-MOKVOYLWSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C1CCC(O)CC1 ZINC001574160035 950327239 /nfs/dbraw/zinc/32/72/39/950327239.db2.gz KKQLDCVHWFZCLR-MOKVOYLWSA-N -1 1 388.476 1.151 20 0 GDADMM CN(CCC(=O)[O-])C(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000263230175 950335820 /nfs/dbraw/zinc/33/58/20/950335820.db2.gz MIRMWLPCVNFKHN-UHFFFAOYSA-N -1 1 382.892 1.968 20 0 GDADMM C[C@@H](CC(=O)NCCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C1CC1 ZINC001574502466 950380491 /nfs/dbraw/zinc/38/04/91/950380491.db2.gz NTRIGIGDGQCCLX-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](CC(=O)NCCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C1CC1 ZINC001574502466 950380512 /nfs/dbraw/zinc/38/05/12/950380512.db2.gz NTRIGIGDGQCCLX-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)n1cccc1 ZINC001574504019 950423752 /nfs/dbraw/zinc/42/37/52/950423752.db2.gz ZIAWXZAKIVJLDW-UONOGXRCSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)n1cccc1 ZINC001574504019 950423765 /nfs/dbraw/zinc/42/37/65/950423765.db2.gz ZIAWXZAKIVJLDW-UONOGXRCSA-N -1 1 381.444 1.195 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C1C=CC=CC=C1 ZINC001574163812 950435304 /nfs/dbraw/zinc/43/53/04/950435304.db2.gz YQFNNUNAAPOORD-HNNXBMFYSA-N -1 1 380.456 1.898 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C1C=CC=CC=C1 ZINC001574163812 950435317 /nfs/dbraw/zinc/43/53/17/950435317.db2.gz YQFNNUNAAPOORD-HNNXBMFYSA-N -1 1 380.456 1.898 20 0 GDADMM C[C@]1(C(=O)N[C@@H]2CCN(c3nc(Cl)c(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575600107 950435634 /nfs/dbraw/zinc/43/56/34/950435634.db2.gz RCLQXABFBJYQEW-CLAHSXSESA-N -1 1 383.865 1.098 20 0 GDADMM C[C@]1(C(=O)N[C@@H]2CCN(c3nc(Cl)c(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575600107 950435643 /nfs/dbraw/zinc/43/56/43/950435643.db2.gz RCLQXABFBJYQEW-CLAHSXSESA-N -1 1 383.865 1.098 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccc(F)cn1 ZINC001574163804 950436338 /nfs/dbraw/zinc/43/63/38/950436338.db2.gz YOAPGAPKEOKTEI-GFCCVEGCSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccc(F)cn1 ZINC001574163804 950436353 /nfs/dbraw/zinc/43/63/53/950436353.db2.gz YOAPGAPKEOKTEI-GFCCVEGCSA-N -1 1 385.407 1.447 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc(Cl)cs1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574751649 950460568 /nfs/dbraw/zinc/46/05/68/950460568.db2.gz PVBBQHIBRJIRDK-MRVPVSSYSA-N -1 1 378.849 1.366 20 0 GDADMM CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)NCc2nc(-c3nnn[n-]3)cs2)C1 ZINC001573862241 950463216 /nfs/dbraw/zinc/46/32/16/950463216.db2.gz QMDAPCLGGXBCGJ-VHSXEESVSA-N -1 1 378.458 1.697 20 0 GDADMM CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)NCc2nc(-c3nn[n-]n3)cs2)C1 ZINC001573862241 950463226 /nfs/dbraw/zinc/46/32/26/950463226.db2.gz QMDAPCLGGXBCGJ-VHSXEESVSA-N -1 1 378.458 1.697 20 0 GDADMM CC1(C(=O)N[C@@H]2Cc3ccccc3[C@H]2Nc2ccnc(-c3nn[n-]n3)n2)CCC1 ZINC001575605452 950463620 /nfs/dbraw/zinc/46/36/20/950463620.db2.gz ODSVHNHWLNJFHA-GDBMZVCRSA-N -1 1 390.451 1.463 20 0 GDADMM C[C@@H](CC(=O)NCCN(C)c1ccnc(-c2nn[n-]n2)n1)c1ccccc1F ZINC001574507692 950463761 /nfs/dbraw/zinc/46/37/61/950463761.db2.gz HLWQJUFLDVELOX-LBPRGKRZSA-N -1 1 384.419 1.542 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1ccncc1 ZINC001575913149 950478818 /nfs/dbraw/zinc/47/88/18/950478818.db2.gz IVNBLLCKHYNDDZ-GXTWGEPZSA-N -1 1 379.428 1.086 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCc1ccncc1 ZINC001575913149 950478834 /nfs/dbraw/zinc/47/88/34/950478834.db2.gz IVNBLLCKHYNDDZ-GXTWGEPZSA-N -1 1 379.428 1.086 20 0 GDADMM C[C@@]1(C(=O)N[C@H]2CC[C@H](Nc3nccnc3-c3nnn[n-]3)CC2)CCCOC1 ZINC001575605743 950481087 /nfs/dbraw/zinc/48/10/87/950481087.db2.gz RRESDLJQOQWULU-SNUQEOBHSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@]1(C(=O)N[C@H]2CC[C@H](Nc3nccnc3-c3nn[n-]n3)CC2)CCCOC1 ZINC001575605743 950481097 /nfs/dbraw/zinc/48/10/97/950481097.db2.gz RRESDLJQOQWULU-SNUQEOBHSA-N -1 1 386.460 1.313 20 0 GDADMM CC(C)(C)OC(=O)[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC001573863649 950486085 /nfs/dbraw/zinc/48/60/85/950486085.db2.gz NOMUHOVPWQXWJD-ZJUUUORDSA-N -1 1 399.498 1.717 20 0 GDADMM CC(C)(C)OC(=O)[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC001573863649 950486102 /nfs/dbraw/zinc/48/61/02/950486102.db2.gz NOMUHOVPWQXWJD-ZJUUUORDSA-N -1 1 399.498 1.717 20 0 GDADMM C[C@H](CC(=O)N[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC001574508915 950491792 /nfs/dbraw/zinc/49/17/92/950491792.db2.gz QKAYXZNRARBBKG-NEPJUHHUSA-N -1 1 384.419 1.328 20 0 GDADMM CC(C)(C)OCC(=O)N1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001573866445 950502696 /nfs/dbraw/zinc/50/26/96/950502696.db2.gz CGPNINWUIVENNM-UHFFFAOYSA-N -1 1 385.881 1.440 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001574509706 950526164 /nfs/dbraw/zinc/52/61/64/950526164.db2.gz XPHHNWHXZMGQNY-OUAUKWLOSA-N -1 1 398.393 1.942 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001574509706 950526182 /nfs/dbraw/zinc/52/61/82/950526182.db2.gz XPHHNWHXZMGQNY-OUAUKWLOSA-N -1 1 398.393 1.942 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001574509854 950534303 /nfs/dbraw/zinc/53/43/03/950534303.db2.gz ZKZRDFLOMDIMNY-MCIONIFRSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001574509854 950534318 /nfs/dbraw/zinc/53/43/18/950534318.db2.gz ZKZRDFLOMDIMNY-MCIONIFRSA-N -1 1 381.444 1.416 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573868987 950551619 /nfs/dbraw/zinc/55/16/19/950551619.db2.gz ITMGYCHQJLBBSR-ZDUSSCGKSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573868987 950551639 /nfs/dbraw/zinc/55/16/39/950551639.db2.gz ITMGYCHQJLBBSR-ZDUSSCGKSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C)c1ccco1 ZINC001574511409 950559120 /nfs/dbraw/zinc/55/91/20/950559120.db2.gz KNEDTDJKAYFGGJ-OUCADQQQSA-N -1 1 382.428 1.384 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C)c1ccco1 ZINC001574511409 950559148 /nfs/dbraw/zinc/55/91/48/950559148.db2.gz KNEDTDJKAYFGGJ-OUCADQQQSA-N -1 1 382.428 1.384 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)[C@]2(C)Cc3ccccc3C(=O)O2)n1 ZINC001575614939 950561758 /nfs/dbraw/zinc/56/17/58/950561758.db2.gz WGAMAMDBJFFDJT-IBGZPJMESA-N -1 1 395.423 1.929 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)[C@]2(C)Cc3ccccc3C(=O)O2)n1 ZINC001575614939 950561769 /nfs/dbraw/zinc/56/17/69/950561769.db2.gz WGAMAMDBJFFDJT-IBGZPJMESA-N -1 1 395.423 1.929 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)n1 ZINC001575614940 950562772 /nfs/dbraw/zinc/56/27/72/950562772.db2.gz WGAMAMDBJFFDJT-LJQANCHMSA-N -1 1 395.423 1.929 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)n1 ZINC001575614940 950562785 /nfs/dbraw/zinc/56/27/85/950562785.db2.gz WGAMAMDBJFFDJT-LJQANCHMSA-N -1 1 395.423 1.929 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575616396 950586719 /nfs/dbraw/zinc/58/67/19/950586719.db2.gz OVYVLMLZJAZMDV-LBPRGKRZSA-N -1 1 384.488 1.672 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575616396 950586735 /nfs/dbraw/zinc/58/67/35/950586735.db2.gz OVYVLMLZJAZMDV-LBPRGKRZSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)ccc1F)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574999790 950590722 /nfs/dbraw/zinc/59/07/22/950590722.db2.gz NSKBIYBRPUROEI-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)ccc1F)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574999790 950590739 /nfs/dbraw/zinc/59/07/39/950590739.db2.gz NSKBIYBRPUROEI-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C ZINC001573870431 950591130 /nfs/dbraw/zinc/59/11/30/950591130.db2.gz WDTNGAKDCIGPTB-GFCCVEGCSA-N -1 1 388.476 1.193 20 0 GDADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(F)cc1F ZINC001575919616 950619908 /nfs/dbraw/zinc/61/99/08/950619908.db2.gz IMDKPOZHSFWTIF-NOZJJQNGSA-N -1 1 386.366 1.072 20 0 GDADMM CC1(C)[C@H](NC(=O)C2CCC2)[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)[C@H]21 ZINC001575622275 950636416 /nfs/dbraw/zinc/63/64/16/950636416.db2.gz BLEWUGOTLOTDSN-NWANDNLSSA-N -1 1 382.472 1.566 20 0 GDADMM CC1(C)[C@H](NC(=O)C2CCC2)[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)[C@H]21 ZINC001575622275 950636429 /nfs/dbraw/zinc/63/64/29/950636429.db2.gz BLEWUGOTLOTDSN-NWANDNLSSA-N -1 1 382.472 1.566 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccn(C(C)(C)C)n1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574759569 950643793 /nfs/dbraw/zinc/64/37/93/950643793.db2.gz OITCMTDCANKSLW-NSHDSACASA-N -1 1 384.448 1.181 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccn(C(C)(C)C)n1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574759569 950643804 /nfs/dbraw/zinc/64/38/04/950643804.db2.gz OITCMTDCANKSLW-NSHDSACASA-N -1 1 384.448 1.181 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(C2CC2)cn1 ZINC001575922218 950644067 /nfs/dbraw/zinc/64/40/67/950644067.db2.gz OXIRFRFINGREBZ-RISCZKNCSA-N -1 1 391.439 1.066 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)cc(Cl)c1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575001925 950644338 /nfs/dbraw/zinc/64/43/38/950644338.db2.gz PHWYHADGMGBROQ-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)cc(Cl)c1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575001925 950644349 /nfs/dbraw/zinc/64/43/49/950644349.db2.gz PHWYHADGMGBROQ-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)ccc1Cl)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575001929 950645237 /nfs/dbraw/zinc/64/52/37/950645237.db2.gz PIRLXKPPBIXLOM-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM CC(C)NC(=O)c1nnc(N2CC[C@@H](C)C2)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001576214059 950657388 /nfs/dbraw/zinc/65/73/88/950657388.db2.gz MEJBMNBUMGVMPC-LLVKDONJSA-N -1 1 385.432 1.084 20 0 GDADMM CC(C)NC(=O)c1nnc(N2CC[C@@H](C)C2)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001576214059 950657397 /nfs/dbraw/zinc/65/73/97/950657397.db2.gz MEJBMNBUMGVMPC-LLVKDONJSA-N -1 1 385.432 1.084 20 0 GDADMM CC1(C)C2CCC1(C(=O)N[C@H]1CCN(c3nccnc3-c3nnn[n-]3)C1)CC2 ZINC001575624055 950661393 /nfs/dbraw/zinc/66/13/93/950661393.db2.gz NCQFJDFXVZARHS-MLZJXEJWSA-N -1 1 382.472 1.568 20 0 GDADMM CC1(C)C2CCC1(C(=O)N[C@H]1CCN(c3nccnc3-c3nn[n-]n3)C1)CC2 ZINC001575624055 950661402 /nfs/dbraw/zinc/66/14/02/950661402.db2.gz NCQFJDFXVZARHS-MLZJXEJWSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](CN(C)C(=O)c1cccc(N(C)C)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574760498 950663648 /nfs/dbraw/zinc/66/36/48/950663648.db2.gz VWIHULNJLWVCFT-GFCCVEGCSA-N -1 1 381.444 1.295 20 0 GDADMM C[C@H](CN(C)C(=O)c1cccc(N(C)C)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574760498 950663666 /nfs/dbraw/zinc/66/36/66/950663666.db2.gz VWIHULNJLWVCFT-GFCCVEGCSA-N -1 1 381.444 1.295 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccncc1Cl ZINC001575924001 950668977 /nfs/dbraw/zinc/66/89/77/950668977.db2.gz RHKGXBAERXEFMK-CABZTGNLSA-N -1 1 385.819 1.420 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccncc1Cl ZINC001575924001 950668990 /nfs/dbraw/zinc/66/89/90/950668990.db2.gz RHKGXBAERXEFMK-CABZTGNLSA-N -1 1 385.819 1.420 20 0 GDADMM CC(C)CCC(=O)N[C@@H]1CC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001574176102 950671037 /nfs/dbraw/zinc/67/10/37/950671037.db2.gz UHCMSCQCQFAASM-RRFJBIMHSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](CN(C)C(=O)c1cccnc1C1CC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574760684 950676840 /nfs/dbraw/zinc/67/68/40/950676840.db2.gz XUOQFUIKZKBVEB-LLVKDONJSA-N -1 1 379.428 1.502 20 0 GDADMM C[C@H](CN(C)C(=O)c1cccnc1C1CC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574760684 950676849 /nfs/dbraw/zinc/67/68/49/950676849.db2.gz XUOQFUIKZKBVEB-LLVKDONJSA-N -1 1 379.428 1.502 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccnc(C2CC2)n1 ZINC001575925169 950680874 /nfs/dbraw/zinc/68/08/74/950680874.db2.gz SXKQOIJMUOTZJL-JQWIXIFHSA-N -1 1 392.427 1.039 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccnc(C2CC2)n1 ZINC001575925169 950680886 /nfs/dbraw/zinc/68/08/86/950680886.db2.gz SXKQOIJMUOTZJL-JQWIXIFHSA-N -1 1 392.427 1.039 20 0 GDADMM C[C@H](CN(C)C(=O)c1cn(C)cn1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574760854 950685296 /nfs/dbraw/zinc/68/52/96/950685296.db2.gz NCWRXMJQTMXMKA-SSDOTTSWSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@H](CN(C)C(=O)c1cn(C)cn1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574760854 950685302 /nfs/dbraw/zinc/68/53/02/950685302.db2.gz NCWRXMJQTMXMKA-SSDOTTSWSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@@H](CNC(=O)c1cc[nH]c(=O)c1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575005438 950686025 /nfs/dbraw/zinc/68/60/25/950686025.db2.gz FFBFVCMUWFNKFC-LURJTMIESA-N -1 1 380.821 1.308 20 0 GDADMM C[C@@H](CNC(=O)c1cc[nH]c(=O)c1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575005438 950686043 /nfs/dbraw/zinc/68/60/43/950686043.db2.gz FFBFVCMUWFNKFC-LURJTMIESA-N -1 1 380.821 1.308 20 0 GDADMM CC1(C)CC(C(=O)N2CCC[C@H]3[C@@H]2CCN3c2nccnc2-c2nnn[n-]2)C1 ZINC001575625818 950696804 /nfs/dbraw/zinc/69/68/04/950696804.db2.gz XFNMJSAGYHHSAC-KBPBESRZSA-N -1 1 382.472 1.663 20 0 GDADMM CC1(C)CC(C(=O)N2CCC[C@H]3[C@@H]2CCN3c2nccnc2-c2nn[n-]n2)C1 ZINC001575625818 950696816 /nfs/dbraw/zinc/69/68/16/950696816.db2.gz XFNMJSAGYHHSAC-KBPBESRZSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H](CC(=O)N[C@]12CCC[C@H]1CN(c1cnc(-c3nnn[n-]3)cn1)C2)C1CC1 ZINC001574519779 950698513 /nfs/dbraw/zinc/69/85/13/950698513.db2.gz IFBJSSVMXWKNJB-PJFSTRORSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](CC(=O)N[C@]12CCC[C@H]1CN(c1cnc(-c3nn[n-]n3)cn1)C2)C1CC1 ZINC001574519779 950698525 /nfs/dbraw/zinc/69/85/25/950698525.db2.gz IFBJSSVMXWKNJB-PJFSTRORSA-N -1 1 382.472 1.568 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001573878390 950707052 /nfs/dbraw/zinc/70/70/52/950707052.db2.gz OVYFQONUSWFEIT-MGPQQGTHSA-N -1 1 396.499 1.814 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001573878390 950707065 /nfs/dbraw/zinc/70/70/65/950707065.db2.gz OVYFQONUSWFEIT-MGPQQGTHSA-N -1 1 396.499 1.814 20 0 GDADMM CC(C)n1nccc1C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)[C@@H]1C ZINC001575926341 950708572 /nfs/dbraw/zinc/70/85/72/950708572.db2.gz JJGZZWJVQOVKFW-RYUDHWBXSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1nccc1C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)[C@@H]1C ZINC001575926341 950708591 /nfs/dbraw/zinc/70/85/91/950708591.db2.gz JJGZZWJVQOVKFW-RYUDHWBXSA-N -1 1 382.432 1.149 20 0 GDADMM CC1(C)[C@H](NC(=O)CCCF)[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)[C@H]21 ZINC001575626371 950708975 /nfs/dbraw/zinc/70/89/75/950708975.db2.gz ZDWXLIQYYVMBNN-HFBAOOFYSA-N -1 1 388.451 1.516 20 0 GDADMM CC1(C)[C@H](NC(=O)CCCF)[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)[C@H]21 ZINC001575626371 950708989 /nfs/dbraw/zinc/70/89/89/950708989.db2.gz ZDWXLIQYYVMBNN-HFBAOOFYSA-N -1 1 388.451 1.516 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573878725 950719898 /nfs/dbraw/zinc/71/98/98/950719898.db2.gz ZEQDAWINEOHGSZ-MGPQQGTHSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573878725 950719913 /nfs/dbraw/zinc/71/99/13/950719913.db2.gz ZEQDAWINEOHGSZ-MGPQQGTHSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001574180323 950723866 /nfs/dbraw/zinc/72/38/66/950723866.db2.gz RUACNZHJZVRDBA-QDMKHBRRSA-N -1 1 384.488 1.957 20 0 GDADMM CC(C)CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001574180323 950723879 /nfs/dbraw/zinc/72/38/79/950723879.db2.gz RUACNZHJZVRDBA-QDMKHBRRSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cncnc1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574763846 950733329 /nfs/dbraw/zinc/73/33/29/950733329.db2.gz MABPCPXCKCJZDU-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM CC1(C)CC(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)CC2(C)C)C1 ZINC001575629384 950736860 /nfs/dbraw/zinc/73/68/60/950736860.db2.gz NXDFDPALSVAVJL-AWEZNQCLSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)CC(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)CC2(C)C)C1 ZINC001575629384 950736871 /nfs/dbraw/zinc/73/68/71/950736871.db2.gz NXDFDPALSVAVJL-AWEZNQCLSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)C(C)(C)C2(C)C)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576216609 950740464 /nfs/dbraw/zinc/74/04/64/950740464.db2.gz DYYWDKDKQVQRCJ-AAEUAGOBSA-N -1 1 384.488 1.988 20 0 GDADMM C[C@H]1CN(C(=O)C2(C)C(C)(C)C2(C)C)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576216609 950740480 /nfs/dbraw/zinc/74/04/80/950740480.db2.gz DYYWDKDKQVQRCJ-AAEUAGOBSA-N -1 1 384.488 1.988 20 0 GDADMM CC(C)(C)c1cc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)no1 ZINC001573880267 950746029 /nfs/dbraw/zinc/74/60/29/950746029.db2.gz XAAIDAWTUFORTO-MGCOHNPYSA-N -1 1 383.416 1.315 20 0 GDADMM CC(C)(C)c1cc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)no1 ZINC001573880267 950746056 /nfs/dbraw/zinc/74/60/56/950746056.db2.gz XAAIDAWTUFORTO-MGCOHNPYSA-N -1 1 383.416 1.315 20 0 GDADMM CC1(C)CC(C(=O)NC[C@H]2CCCCCN2c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575629916 950749996 /nfs/dbraw/zinc/74/99/96/950749996.db2.gz ULSMCMVKTIPLQW-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CC(C(=O)NC[C@H]2CCCCCN2c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575629916 950750014 /nfs/dbraw/zinc/75/00/14/950750014.db2.gz ULSMCMVKTIPLQW-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CC(C(=O)NCC2(C)CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001575629982 950751668 /nfs/dbraw/zinc/75/16/68/950751668.db2.gz XKFAMHWZZHQZKV-UHFFFAOYSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C)CC(C(=O)NCC2(C)CCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001575629982 950751691 /nfs/dbraw/zinc/75/16/91/950751691.db2.gz XKFAMHWZZHQZKV-UHFFFAOYSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)COc1ccsc1 ZINC001575927714 950752833 /nfs/dbraw/zinc/75/28/33/950752833.db2.gz SNRLLQKVGKDJFG-JQWIXIFHSA-N -1 1 386.441 1.199 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)COc1ccsc1 ZINC001575927714 950752848 /nfs/dbraw/zinc/75/28/48/950752848.db2.gz SNRLLQKVGKDJFG-JQWIXIFHSA-N -1 1 386.441 1.199 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1nc(Cl)cs1 ZINC001575927833 950759541 /nfs/dbraw/zinc/75/95/41/950759541.db2.gz VEHUEHDQVJSGGN-HTQZYQBOSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1nc(Cl)cs1 ZINC001575927833 950759551 /nfs/dbraw/zinc/75/95/51/950759551.db2.gz VEHUEHDQVJSGGN-HTQZYQBOSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CC1CC(F)(F)C1 ZINC001575928029 950767929 /nfs/dbraw/zinc/76/79/29/950767929.db2.gz XUFCWTROXDXGMH-GXSJLCMTSA-N -1 1 378.387 1.493 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CC1CC(F)(F)C1 ZINC001575928029 950767944 /nfs/dbraw/zinc/76/79/44/950767944.db2.gz XUFCWTROXDXGMH-GXSJLCMTSA-N -1 1 378.387 1.493 20 0 GDADMM CC(C)(C)c1ccc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nnn[n-]2)nc1 ZINC001573882115 950769466 /nfs/dbraw/zinc/76/94/66/950769466.db2.gz SNWHSLOBDQCIKK-UHFFFAOYSA-N -1 1 397.443 1.371 20 0 GDADMM CC(C)(C)c1ccc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[n-]n2)nc1 ZINC001573882115 950769481 /nfs/dbraw/zinc/76/94/81/950769481.db2.gz SNWHSLOBDQCIKK-UHFFFAOYSA-N -1 1 397.443 1.371 20 0 GDADMM CC(C)(C)c1n[nH]cc1C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573884107 950788117 /nfs/dbraw/zinc/78/81/17/950788117.db2.gz IIBHOWNQJRPZNV-AOOOYVTPSA-N -1 1 382.432 1.050 20 0 GDADMM CC(C)(C)c1n[nH]cc1C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573884107 950788130 /nfs/dbraw/zinc/78/81/30/950788130.db2.gz IIBHOWNQJRPZNV-AOOOYVTPSA-N -1 1 382.432 1.050 20 0 GDADMM C[C@@H]1CN(C(=O)C(C2CC2)C2CC2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576218401 950790133 /nfs/dbraw/zinc/79/01/33/950790133.db2.gz LVVVPSYIGQLKHN-BXUZGUMPSA-N -1 1 382.472 1.599 20 0 GDADMM C[C@@H]1CN(C(=O)C(C2CC2)C2CC2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576218401 950790150 /nfs/dbraw/zinc/79/01/50/950790150.db2.gz LVVVPSYIGQLKHN-BXUZGUMPSA-N -1 1 382.472 1.599 20 0 GDADMM CC(C)CC[C@H](NC(=O)CCn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)C(C)(C)C ZINC001574184824 950790840 /nfs/dbraw/zinc/79/08/40/950790840.db2.gz OHZXMWSUILIEHY-ZDUSSCGKSA-N -1 1 391.476 1.486 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)CC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576219493 950803300 /nfs/dbraw/zinc/80/33/00/950803300.db2.gz OBKGSJFCTQKOEY-GHMZBOCLSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576219493 950803314 /nfs/dbraw/zinc/80/33/14/950803314.db2.gz OBKGSJFCTQKOEY-GHMZBOCLSA-N -1 1 392.414 1.741 20 0 GDADMM CC(C)(C)c1ncsc1C(=O)NCCCNc1ccnc(-c2nn[n-]n2)n1 ZINC001573885035 950811479 /nfs/dbraw/zinc/81/14/79/950811479.db2.gz MZLFTYVPTDZVOU-UHFFFAOYSA-N -1 1 387.473 1.065 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccc(F)cc1F ZINC001575931514 950812826 /nfs/dbraw/zinc/81/28/26/950812826.db2.gz IKCHUYRZGVAOBW-RNCFNFMXSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(F)cc1F ZINC001575931514 950812847 /nfs/dbraw/zinc/81/28/47/950812847.db2.gz IKCHUYRZGVAOBW-RNCFNFMXSA-N -1 1 386.366 1.650 20 0 GDADMM CC1(C)CC(CC(=O)NC[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001575633293 950817300 /nfs/dbraw/zinc/81/73/00/950817300.db2.gz RPJROXCKUACHAP-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H]1[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)CCN1C(=O)c1cnco1 ZINC001575933266 950833619 /nfs/dbraw/zinc/83/36/19/950833619.db2.gz NRUVABZUMTXYBI-BQBZGAKWSA-N -1 1 380.821 1.680 20 0 GDADMM C[C@H]1[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCN1C(=O)c1cnco1 ZINC001575933266 950833638 /nfs/dbraw/zinc/83/36/38/950833638.db2.gz NRUVABZUMTXYBI-BQBZGAKWSA-N -1 1 380.821 1.680 20 0 GDADMM C[C@H](CN(C)C(=O)c1sccc1Cl)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574767458 950850999 /nfs/dbraw/zinc/85/09/99/950850999.db2.gz ORWMCYPJWIBDTH-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CN(C)C(=O)c1sccc1Cl)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574767458 950851022 /nfs/dbraw/zinc/85/10/22/950851022.db2.gz ORWMCYPJWIBDTH-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM CCOC(=O)C1C(CSCC(=O)[O-])=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC001590178681 950858353 /nfs/dbraw/zinc/85/83/53/950858353.db2.gz KDSQPAZPLMMDBI-HNNXBMFYSA-N -1 1 380.422 1.684 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C(F)F)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576222360 950867381 /nfs/dbraw/zinc/86/73/81/950867381.db2.gz YHKARSMXAIALKT-VHSXEESVSA-N -1 1 380.403 1.019 20 0 GDADMM CCOC(=O)[C@@H]1CCCN(CC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)C1 ZINC001590208087 950886065 /nfs/dbraw/zinc/88/60/65/950886065.db2.gz HRIOOLONWSPNPX-FGTMMUONSA-N -1 1 388.464 1.588 20 0 GDADMM C[C@H]1[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCN1C(=O)c1cccnn1 ZINC001575936625 950922159 /nfs/dbraw/zinc/92/21/59/950922159.db2.gz GTKFLFIIBYJYJO-YUMQZZPRSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCN1C(=O)c1cccnn1 ZINC001575936625 950922168 /nfs/dbraw/zinc/92/21/68/950922168.db2.gz GTKFLFIIBYJYJO-YUMQZZPRSA-N -1 1 391.848 1.482 20 0 GDADMM CC(C)(CC(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CC1)CC(F)F ZINC001573895566 950941361 /nfs/dbraw/zinc/94/13/61/950941361.db2.gz CXLKJJFDUQKKBP-UHFFFAOYSA-N -1 1 380.403 1.789 20 0 GDADMM CC(C)(CC(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CC1)CC(F)F ZINC001573895566 950941383 /nfs/dbraw/zinc/94/13/83/950941383.db2.gz CXLKJJFDUQKKBP-UHFFFAOYSA-N -1 1 380.403 1.789 20 0 GDADMM CC1(C)CC(NC(=O)CCn2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)CC(C)(C)C1 ZINC001575642455 950946126 /nfs/dbraw/zinc/94/61/26/950946126.db2.gz VDEQWHKAVXEGLN-UHFFFAOYSA-N -1 1 389.460 1.240 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N1CCC2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001575642485 950946482 /nfs/dbraw/zinc/94/64/82/950946482.db2.gz HILGZQSWBACBAN-CYBMUJFWSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N1CCC2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001575642485 950946505 /nfs/dbraw/zinc/94/65/05/950946505.db2.gz HILGZQSWBACBAN-CYBMUJFWSA-N -1 1 382.472 1.522 20 0 GDADMM CC(C)(CC(=O)NC[C@@H]1CCCCN1c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001573896671 950949813 /nfs/dbraw/zinc/94/98/13/950949813.db2.gz JLLXIFQUVSUMIH-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(CC(=O)NC[C@@H]1CCCCN1c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001573896671 950949831 /nfs/dbraw/zinc/94/98/31/950949831.db2.gz JLLXIFQUVSUMIH-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)C[C@H](NC(=O)CCC2CC2)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575643031 950957674 /nfs/dbraw/zinc/95/76/74/950957674.db2.gz XDJFEBQESAJEDB-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)C[C@H](NC(=O)CCC2CC2)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575643031 950957692 /nfs/dbraw/zinc/95/76/92/950957692.db2.gz XDJFEBQESAJEDB-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)C[C@@H](NC(=O)C2CCCC2)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575643106 950961383 /nfs/dbraw/zinc/96/13/83/950961383.db2.gz XYUUJBVAQCFGKE-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)C[C@@H](NC(=O)C2CCCC2)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575643106 950961396 /nfs/dbraw/zinc/96/13/96/950961396.db2.gz XYUUJBVAQCFGKE-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(CC(=O)NC[C@@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573897453 950961690 /nfs/dbraw/zinc/96/16/90/950961690.db2.gz PRXRTRFSLMNADJ-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)CC(F)F ZINC001573898116 950976682 /nfs/dbraw/zinc/97/66/82/950976682.db2.gz XDAGQQIZIJGEQB-SNVBAGLBSA-N -1 1 380.403 1.423 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)CC(F)F ZINC001573898116 950976696 /nfs/dbraw/zinc/97/66/96/950976696.db2.gz XDAGQQIZIJGEQB-SNVBAGLBSA-N -1 1 380.403 1.423 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573899500 950978041 /nfs/dbraw/zinc/97/80/41/950978041.db2.gz AYLLWQRWUZDPPH-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573899500 950978054 /nfs/dbraw/zinc/97/80/54/950978054.db2.gz AYLLWQRWUZDPPH-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(CC(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001573899595 950982209 /nfs/dbraw/zinc/98/22/09/950982209.db2.gz HPYBUQBFZKUJRH-DTORHVGOSA-N -1 1 384.366 1.694 20 0 GDADMM CC(C)(CC(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573899595 950982225 /nfs/dbraw/zinc/98/22/25/950982225.db2.gz HPYBUQBFZKUJRH-DTORHVGOSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1)Nc1nccnc1-c1nnn[n-]1 ZINC001575017315 950985793 /nfs/dbraw/zinc/98/57/93/950985793.db2.gz DABAZYDITDBCEE-VIFPVBQESA-N -1 1 392.345 1.906 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1)Nc1nccnc1-c1nn[n-]n1 ZINC001575017315 950985802 /nfs/dbraw/zinc/98/58/02/950985802.db2.gz DABAZYDITDBCEE-VIFPVBQESA-N -1 1 392.345 1.906 20 0 GDADMM CC(C)c1ccc(C(=O)NC[C@H](C)CNc2ccc(-c3nnn[n-]3)nn2)cn1 ZINC001575017520 951000635 /nfs/dbraw/zinc/00/06/35/951000635.db2.gz HCRJNFMOPOVOSB-GFCCVEGCSA-N -1 1 381.444 1.653 20 0 GDADMM CC(C)c1ccc(C(=O)NC[C@H](C)CNc2ccc(-c3nn[n-]n3)nn2)cn1 ZINC001575017520 951000674 /nfs/dbraw/zinc/00/06/74/951000674.db2.gz HCRJNFMOPOVOSB-GFCCVEGCSA-N -1 1 381.444 1.653 20 0 GDADMM C[C@@H]1CN(C(=O)C2(F)CCCCC2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576230464 951008727 /nfs/dbraw/zinc/00/87/27/951008727.db2.gz MILWPGLBLSOVTB-CHWSQXEVSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@@H]1CN(C(=O)C2(F)CCCCC2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576230464 951008749 /nfs/dbraw/zinc/00/87/49/951008749.db2.gz MILWPGLBLSOVTB-CHWSQXEVSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)F)o1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575017822 951012108 /nfs/dbraw/zinc/01/21/08/951012108.db2.gz KGLXXCOGAKQCOI-QMMMGPOBSA-N -1 1 378.343 1.665 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)F)o1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575017822 951012123 /nfs/dbraw/zinc/01/21/23/951012123.db2.gz KGLXXCOGAKQCOI-QMMMGPOBSA-N -1 1 378.343 1.665 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)F)c(F)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575019036 951031542 /nfs/dbraw/zinc/03/15/42/951031542.db2.gz PVHXKSRMKZOLEJ-QMMMGPOBSA-N -1 1 392.345 1.964 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(F)F)c(F)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575019036 951031557 /nfs/dbraw/zinc/03/15/57/951031557.db2.gz PVHXKSRMKZOLEJ-QMMMGPOBSA-N -1 1 392.345 1.964 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(C)(C)C)cn1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575020162 951050664 /nfs/dbraw/zinc/05/06/64/951050664.db2.gz ZFZALQJPODPMHX-LLVKDONJSA-N -1 1 381.444 1.580 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(C)(C)C)cn1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575020162 951050676 /nfs/dbraw/zinc/05/06/76/951050676.db2.gz ZFZALQJPODPMHX-LLVKDONJSA-N -1 1 381.444 1.580 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C2CC2)cn1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575022086 951067355 /nfs/dbraw/zinc/06/73/55/951067355.db2.gz GZZHGMISBRUDAQ-LLVKDONJSA-N -1 1 379.428 1.407 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C2CC2)cn1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575022086 951067363 /nfs/dbraw/zinc/06/73/63/951067363.db2.gz GZZHGMISBRUDAQ-LLVKDONJSA-N -1 1 379.428 1.407 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)COC2)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575024364 951100974 /nfs/dbraw/zinc/10/09/74/951100974.db2.gz BXPOPXYIIUWMAJ-NSHDSACASA-N -1 1 380.412 1.165 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)COC2)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575024364 951100980 /nfs/dbraw/zinc/10/09/80/951100980.db2.gz BXPOPXYIIUWMAJ-NSHDSACASA-N -1 1 380.412 1.165 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)cn1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575025134 951126609 /nfs/dbraw/zinc/12/66/09/951126609.db2.gz VRBRSHVEDMXPOZ-ZCFIWIBFSA-N -1 1 382.812 1.741 20 0 GDADMM CC(C)Oc1ccc(C(=O)NC[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001575025318 951128904 /nfs/dbraw/zinc/12/89/04/951128904.db2.gz XZVYCRCAMXXNBD-LBPRGKRZSA-N -1 1 382.428 1.674 20 0 GDADMM CC(C)Oc1ccc(C(=O)NC[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001575025318 951128910 /nfs/dbraw/zinc/12/89/10/951128910.db2.gz XZVYCRCAMXXNBD-LBPRGKRZSA-N -1 1 382.428 1.674 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)nc1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575025447 951131408 /nfs/dbraw/zinc/13/14/08/951131408.db2.gz ZKVSXJXBPRDQAW-ZCFIWIBFSA-N -1 1 382.812 1.741 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(Cl)c1F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575026753 951147502 /nfs/dbraw/zinc/14/75/02/951147502.db2.gz MZNBAAJNGFXOKW-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(Cl)c1F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575026753 951147513 /nfs/dbraw/zinc/14/75/13/951147513.db2.gz MZNBAAJNGFXOKW-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CNC(=O)c1cccc2nccnc21)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575026995 951150561 /nfs/dbraw/zinc/15/05/61/951150561.db2.gz BWPZQUZHFFEDDN-NSHDSACASA-N -1 1 390.411 1.078 20 0 GDADMM C[C@H](CNC(=O)c1cccc2nccnc21)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575026995 951150564 /nfs/dbraw/zinc/15/05/64/951150564.db2.gz BWPZQUZHFFEDDN-NSHDSACASA-N -1 1 390.411 1.078 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(C(C)(C)C)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575027563 951160086 /nfs/dbraw/zinc/16/00/86/951160086.db2.gz SAKOGTJRJLZREX-LBPRGKRZSA-N -1 1 380.456 1.607 20 0 GDADMM CC(C)c1cccc(C(=O)NC[C@@H](C)CNc2cnc(-c3nnn[n-]3)cn2)n1 ZINC001575029062 951182768 /nfs/dbraw/zinc/18/27/68/951182768.db2.gz YVCYHILPNODTAR-LBPRGKRZSA-N -1 1 381.444 1.653 20 0 GDADMM CC(C)c1cccc(C(=O)NC[C@@H](C)CNc2cnc(-c3nn[n-]n3)cn2)n1 ZINC001575029062 951182781 /nfs/dbraw/zinc/18/27/81/951182781.db2.gz YVCYHILPNODTAR-LBPRGKRZSA-N -1 1 381.444 1.653 20 0 GDADMM C[C@@H](CNC(=O)c1cccn1C)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575032204 951218710 /nfs/dbraw/zinc/21/87/10/951218710.db2.gz UARMGXOMXAOYTQ-QMMMGPOBSA-N -1 1 380.865 1.793 20 0 GDADMM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1n[nH]cc1I ZINC001595011946 951250391 /nfs/dbraw/zinc/25/03/91/951250391.db2.gz BZXFFEKRWJSVKC-QMMMGPOBSA-N -1 1 377.182 1.874 20 0 GDADMM CCOc1cc(CN[C@@H]2CCCCN(CC(=O)[O-])C2=O)ccc1OC(=O)CC ZINC001592184362 951304393 /nfs/dbraw/zinc/30/43/93/951304393.db2.gz HVHUDOVWZGNFHJ-OAHLLOKOSA-N -1 1 392.452 1.956 20 0 GDADMM C[C@H](CNC(=O)c1ccsc1Cl)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575037613 951307491 /nfs/dbraw/zinc/30/74/91/951307491.db2.gz BQBLCDWFRHSZDW-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@H](CNC(=O)c1coc(CC2CC2)n1)CNc1nccnc1-c1nnn[n-]1 ZINC001575056290 951518158 /nfs/dbraw/zinc/51/81/58/951518158.db2.gz GRBXNGCUYHLZPW-JTQLQIEISA-N -1 1 383.416 1.075 20 0 GDADMM C[C@H](CNC(=O)c1coc(CC2CC2)n1)CNc1nccnc1-c1nn[n-]n1 ZINC001575056290 951518163 /nfs/dbraw/zinc/51/81/63/951518163.db2.gz GRBXNGCUYHLZPW-JTQLQIEISA-N -1 1 383.416 1.075 20 0 GDADMM C[C@H](CNC(=O)c1csc(C2CC2)n1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575058272 951534372 /nfs/dbraw/zinc/53/43/72/951534372.db2.gz VEGWMEPJYFMLBS-VIFPVBQESA-N -1 1 385.457 1.469 20 0 GDADMM C[C@H](CNC(=O)c1csc(C2CC2)n1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575058272 951534375 /nfs/dbraw/zinc/53/43/75/951534375.db2.gz VEGWMEPJYFMLBS-VIFPVBQESA-N -1 1 385.457 1.469 20 0 GDADMM C[C@H](CNC(=O)c1csc(Cl)n1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575058253 951534666 /nfs/dbraw/zinc/53/46/66/951534666.db2.gz VDOQQMNFQFDNEL-ZETCQYMHSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@H](CNC(=O)c1csc(Cl)n1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575058253 951534670 /nfs/dbraw/zinc/53/46/70/951534670.db2.gz VDOQQMNFQFDNEL-ZETCQYMHSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1coc(C(C)(C)C)n1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575058983 951538004 /nfs/dbraw/zinc/53/80/04/951538004.db2.gz XHBHHOMIDCXXPA-SNVBAGLBSA-N -1 1 385.432 1.420 20 0 GDADMM C[C@@H](CNC(=O)c1coc(C(C)(C)C)n1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575058983 951538012 /nfs/dbraw/zinc/53/80/12/951538012.db2.gz XHBHHOMIDCXXPA-SNVBAGLBSA-N -1 1 385.432 1.420 20 0 GDADMM C[C@@H](CNC(=O)c1cscc1Cl)CNc1nccnc1-c1nnn[n-]1 ZINC001575060880 951550398 /nfs/dbraw/zinc/55/03/98/951550398.db2.gz IRNRXDKQYGFBQE-MRVPVSSYSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@@H](CNC(=O)c1cscc1Cl)CNc1nccnc1-c1nn[n-]n1 ZINC001575060880 951550408 /nfs/dbraw/zinc/55/04/08/951550408.db2.gz IRNRXDKQYGFBQE-MRVPVSSYSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@H](CNC(=O)c1ncc(Cl)s1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575061310 951558122 /nfs/dbraw/zinc/55/81/22/951558122.db2.gz MVPIQTQEBGNHET-SSDOTTSWSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@H](CNC(=O)c1ncc(Cl)s1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575061310 951558130 /nfs/dbraw/zinc/55/81/30/951558130.db2.gz MVPIQTQEBGNHET-SSDOTTSWSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@H](CNC(=O)c1cscn1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575062849 951573367 /nfs/dbraw/zinc/57/33/67/951573367.db2.gz ZQDIWIRUKBIFBQ-ZCFIWIBFSA-N -1 1 384.878 1.688 20 0 GDADMM C[C@H](CNC(=O)c1nccs1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575065244 951581247 /nfs/dbraw/zinc/58/12/47/951581247.db2.gz AJVQSXGAVTXZAS-ZCFIWIBFSA-N -1 1 384.878 1.911 20 0 GDADMM C[C@H](CNC(=O)c1nccs1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575065244 951581258 /nfs/dbraw/zinc/58/12/58/951581258.db2.gz AJVQSXGAVTXZAS-ZCFIWIBFSA-N -1 1 384.878 1.911 20 0 GDADMM C[C@H](CNC(=O)c1ocnc1C(F)F)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575066411 951595765 /nfs/dbraw/zinc/59/57/65/951595765.db2.gz LFLIJQHRXFHFQC-ZETCQYMHSA-N -1 1 379.331 1.060 20 0 GDADMM C[C@H](CNC(=O)c1ocnc1C(F)F)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575066411 951595772 /nfs/dbraw/zinc/59/57/72/951595772.db2.gz LFLIJQHRXFHFQC-ZETCQYMHSA-N -1 1 379.331 1.060 20 0 GDADMM CC(C)Oc1cccnc1C(=O)NC[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575068263 951631319 /nfs/dbraw/zinc/63/13/19/951631319.db2.gz YXNYOGYDFQUHAM-NSHDSACASA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1cccnc1C(=O)NC[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575068263 951631325 /nfs/dbraw/zinc/63/13/25/951631325.db2.gz YXNYOGYDFQUHAM-NSHDSACASA-N -1 1 383.416 1.069 20 0 GDADMM C[C@@H](CNC(=O)c1sccc1C(F)F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575070488 951650053 /nfs/dbraw/zinc/65/00/53/951650053.db2.gz QSEHWNJIFZEEKC-ZETCQYMHSA-N -1 1 380.384 1.886 20 0 GDADMM C[C@@H](CNC(=O)c1sccc1C(F)F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575070488 951650058 /nfs/dbraw/zinc/65/00/58/951650058.db2.gz QSEHWNJIFZEEKC-ZETCQYMHSA-N -1 1 380.384 1.886 20 0 GDADMM O=C([O-])CNC(=O)CN1CCC([C@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1 ZINC001595097487 951833302 /nfs/dbraw/zinc/83/33/02/951833302.db2.gz NBCQHXUGPUGTLQ-IAGOWNOFSA-N -1 1 389.452 1.214 20 0 GDADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)c1ccoc1Cl)C1CC1 ZINC001575123696 952018881 /nfs/dbraw/zinc/01/88/81/952018881.db2.gz BYQHVWXHFBVHFC-MRXNPFEDSA-N -1 1 388.819 1.914 20 0 GDADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)c1ccoc1Cl)C1CC1 ZINC001575123696 952018891 /nfs/dbraw/zinc/01/88/91/952018891.db2.gz BYQHVWXHFBVHFC-MRXNPFEDSA-N -1 1 388.819 1.914 20 0 GDADMM C[C@@](CNc1ccc(-c2nn[nH]n2)cn1)(NC(=O)c1ncccc1[O-])C1CC1 ZINC001575124565 952031255 /nfs/dbraw/zinc/03/12/55/952031255.db2.gz UKNBEOSAXZIBHL-SFHVURJKSA-N -1 1 380.412 1.373 20 0 GDADMM C[C@](CNc1ccc(-c2nn[nH]n2)nc1)(NC(=O)c1ncccc1[O-])C1CC1 ZINC001575126956 952053100 /nfs/dbraw/zinc/05/31/00/952053100.db2.gz VFQIHZDGLYZZKX-GOSISDBHSA-N -1 1 380.412 1.373 20 0 GDADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)C[C@@H]1CCCCO1)C1CC1 ZINC001575128133 952063430 /nfs/dbraw/zinc/06/34/30/952063430.db2.gz FGRBJLGXMHSXMC-UGSOOPFHSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)C[C@@H]1CCCCO1)C1CC1 ZINC001575128133 952063439 /nfs/dbraw/zinc/06/34/39/952063439.db2.gz FGRBJLGXMHSXMC-UGSOOPFHSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)CCc1ccccc1)C1CC1 ZINC001575128679 952071554 /nfs/dbraw/zinc/07/15/54/952071554.db2.gz LXSNHVZFXFPLIG-HXUWFJFHSA-N -1 1 392.467 1.986 20 0 GDADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)CCc1ccccc1)C1CC1 ZINC001575128679 952071561 /nfs/dbraw/zinc/07/15/61/952071561.db2.gz LXSNHVZFXFPLIG-HXUWFJFHSA-N -1 1 392.467 1.986 20 0 GDADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)C1CCC(F)CC1)C1CC1 ZINC001575128813 952073483 /nfs/dbraw/zinc/07/34/83/952073483.db2.gz MQQNAPCVNISCNG-LPSAFJIBSA-N -1 1 388.451 1.882 20 0 GDADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)C1CCC(F)CC1)C1CC1 ZINC001575128813 952073485 /nfs/dbraw/zinc/07/34/85/952073485.db2.gz MQQNAPCVNISCNG-LPSAFJIBSA-N -1 1 388.451 1.882 20 0 GDADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)CCc1ccoc1)C1CC1 ZINC001575129225 952077398 /nfs/dbraw/zinc/07/73/98/952077398.db2.gz RIBZPGUYISVSIM-SFHVURJKSA-N -1 1 382.428 1.579 20 0 GDADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)CCc1ccoc1)C1CC1 ZINC001575129225 952077404 /nfs/dbraw/zinc/07/74/04/952077404.db2.gz RIBZPGUYISVSIM-SFHVURJKSA-N -1 1 382.428 1.579 20 0 GDADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)CC1CCOCC1)C1CC1 ZINC001575129557 952080924 /nfs/dbraw/zinc/08/09/24/952080924.db2.gz VPWWGWAXCUPUIG-SFHVURJKSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)CC1CCOCC1)C1CC1 ZINC001575129557 952080929 /nfs/dbraw/zinc/08/09/29/952080929.db2.gz VPWWGWAXCUPUIG-SFHVURJKSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1ccc(N(C)C)cc1 ZINC001575131775 952088064 /nfs/dbraw/zinc/08/80/64/952088064.db2.gz BFCUBUOVLDNLNU-LBPRGKRZSA-N -1 1 381.444 1.295 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1ccc(N(C)C)cc1 ZINC001575131775 952088069 /nfs/dbraw/zinc/08/80/69/952088069.db2.gz BFCUBUOVLDNLNU-LBPRGKRZSA-N -1 1 381.444 1.295 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)Cc1ccc(Cl)cc1 ZINC001575131822 952088287 /nfs/dbraw/zinc/08/82/87/952088287.db2.gz BSJUNIWPMUJARI-NSHDSACASA-N -1 1 386.847 1.812 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)Cc1ccc(Cl)cc1 ZINC001575131822 952088295 /nfs/dbraw/zinc/08/82/95/952088295.db2.gz BSJUNIWPMUJARI-NSHDSACASA-N -1 1 386.847 1.812 20 0 GDADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)C1CCC=CCC1)C1CC1 ZINC001575133868 952107574 /nfs/dbraw/zinc/10/75/74/952107574.db2.gz GXVQLFGOACUICM-IBGZPJMESA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@H]1CCc2ccccc2C1 ZINC001575135344 952117557 /nfs/dbraw/zinc/11/75/57/952117557.db2.gz QSDGOJXRWJQDFK-BBRMVZONSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@H]1CCc2ccccc2C1 ZINC001575135344 952117563 /nfs/dbraw/zinc/11/75/63/952117563.db2.gz QSDGOJXRWJQDFK-BBRMVZONSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1noc2c1CCCC2 ZINC001575137305 952135501 /nfs/dbraw/zinc/13/55/01/952135501.db2.gz WJLRCOCZKDUEBG-JTQLQIEISA-N -1 1 383.416 1.096 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1noc2c1CCCC2 ZINC001575137305 952135506 /nfs/dbraw/zinc/13/55/06/952135506.db2.gz WJLRCOCZKDUEBG-JTQLQIEISA-N -1 1 383.416 1.096 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc(C(F)F)cc1 ZINC001575143882 952159601 /nfs/dbraw/zinc/15/96/01/952159601.db2.gz DIJCPRJCGQRUFY-SNVBAGLBSA-N -1 1 388.382 1.589 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc(C2CC2)cc1 ZINC001575145537 952186329 /nfs/dbraw/zinc/18/63/29/952186329.db2.gz ZOANZGJJGGGADV-GFCCVEGCSA-N -1 1 378.440 1.529 20 0 GDADMM CC(C)(C)OC(=O)N1CCN(CCCCCNC(=O)[C@@H]2CC[C@H]2C(=O)[O-])CC1 ZINC001602893443 971810973 /nfs/dbraw/zinc/81/09/73/971810973.db2.gz WTZZZWFZSOKCLG-HZPDHXFCSA-N -1 1 397.516 1.936 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001575153993 952215448 /nfs/dbraw/zinc/21/54/48/952215448.db2.gz NCLZEXIIFCYYSX-KWCYVHTRSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001575153993 952215453 /nfs/dbraw/zinc/21/54/53/952215453.db2.gz NCLZEXIIFCYYSX-KWCYVHTRSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)Cc1c[nH]c2ncccc12 ZINC001575154256 952220629 /nfs/dbraw/zinc/22/06/29/952220629.db2.gz QQEGQNXCCMLBJD-NSHDSACASA-N -1 1 392.427 1.035 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)Cc1c[nH]c2ncccc12 ZINC001575154256 952220637 /nfs/dbraw/zinc/22/06/37/952220637.db2.gz QQEGQNXCCMLBJD-NSHDSACASA-N -1 1 392.427 1.035 20 0 GDADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)c1occc1Cl)C1CC1 ZINC001575154471 952222917 /nfs/dbraw/zinc/22/29/17/952222917.db2.gz DWSRSOWDDOUGEM-INIZCTEOSA-N -1 1 388.819 1.914 20 0 GDADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)c1occc1Cl)C1CC1 ZINC001575154471 952222921 /nfs/dbraw/zinc/22/29/21/952222921.db2.gz DWSRSOWDDOUGEM-INIZCTEOSA-N -1 1 388.819 1.914 20 0 GDADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)Cc1cscn1)C1CC1 ZINC001575155100 952234540 /nfs/dbraw/zinc/23/45/40/952234540.db2.gz WILIUFPWEUHWNU-MRXNPFEDSA-N -1 1 385.457 1.053 20 0 GDADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)Cc1cscn1)C1CC1 ZINC001575155100 952234548 /nfs/dbraw/zinc/23/45/48/952234548.db2.gz WILIUFPWEUHWNU-MRXNPFEDSA-N -1 1 385.457 1.053 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1coc(C2CCC2)n1 ZINC001575155389 952238595 /nfs/dbraw/zinc/23/85/95/952238595.db2.gz MBGXLRCSOQWHJJ-SNVBAGLBSA-N -1 1 383.416 1.485 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1coc(C2CCC2)n1 ZINC001575155389 952238601 /nfs/dbraw/zinc/23/86/01/952238601.db2.gz MBGXLRCSOQWHJJ-SNVBAGLBSA-N -1 1 383.416 1.485 20 0 GDADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)c1cccc(F)c1)C1CC1 ZINC001575155526 952240014 /nfs/dbraw/zinc/24/00/14/952240014.db2.gz MIKUQEHBUXTPPR-SFHVURJKSA-N -1 1 382.403 1.806 20 0 GDADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)c1cccc(F)c1)C1CC1 ZINC001575155526 952240019 /nfs/dbraw/zinc/24/00/19/952240019.db2.gz MIKUQEHBUXTPPR-SFHVURJKSA-N -1 1 382.403 1.806 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1ccc2[nH]ccc2c1 ZINC001575156373 952252354 /nfs/dbraw/zinc/25/23/54/952252354.db2.gz FAFYPWXXHUSNTB-LLVKDONJSA-N -1 1 377.412 1.711 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc2[nH]ccc2c1 ZINC001575156373 952252360 /nfs/dbraw/zinc/25/23/60/952252360.db2.gz FAFYPWXXHUSNTB-LLVKDONJSA-N -1 1 377.412 1.711 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CCc1ccc(F)cc1 ZINC001575156411 952252507 /nfs/dbraw/zinc/25/25/07/952252507.db2.gz FKTDPNGKIOJODC-GFCCVEGCSA-N -1 1 384.419 1.687 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CCc1ccc(F)cc1 ZINC001575156411 952252512 /nfs/dbraw/zinc/25/25/12/952252512.db2.gz FKTDPNGKIOJODC-GFCCVEGCSA-N -1 1 384.419 1.687 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)COc1ccccc1F ZINC001575156903 952259214 /nfs/dbraw/zinc/25/92/14/952259214.db2.gz ICUSPMIDTUUMSM-LLVKDONJSA-N -1 1 386.391 1.134 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)COc1ccccc1F ZINC001575156903 952259222 /nfs/dbraw/zinc/25/92/22/952259222.db2.gz ICUSPMIDTUUMSM-LLVKDONJSA-N -1 1 386.391 1.134 20 0 GDADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)Cc1ccccc1)C1CC1 ZINC001575157305 952263007 /nfs/dbraw/zinc/26/30/07/952263007.db2.gz ZBRNRCPEARLLBA-LJQANCHMSA-N -1 1 378.440 1.596 20 0 GDADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)Cc1ccccc1)C1CC1 ZINC001575157305 952263012 /nfs/dbraw/zinc/26/30/12/952263012.db2.gz ZBRNRCPEARLLBA-LJQANCHMSA-N -1 1 378.440 1.596 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1cnc(C2CC2)s1 ZINC001575157709 952266448 /nfs/dbraw/zinc/26/64/48/952266448.db2.gz PDFGRRHHVKGNMS-SECBINFHSA-N -1 1 385.457 1.563 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cnc(C2CC2)s1 ZINC001575157709 952266453 /nfs/dbraw/zinc/26/64/53/952266453.db2.gz PDFGRRHHVKGNMS-SECBINFHSA-N -1 1 385.457 1.563 20 0 GDADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)c1cccnn1 ZINC001575165576 952310364 /nfs/dbraw/zinc/31/03/64/952310364.db2.gz POMXMUKGBDZRQI-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)[C@@H]1CCCOC1 ZINC001575166373 952324597 /nfs/dbraw/zinc/32/45/97/952324597.db2.gz VMZYOOFRTNOESI-RKDXNWHRSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)[C@@H]1CCCOC1 ZINC001575166373 952324604 /nfs/dbraw/zinc/32/46/04/952324604.db2.gz VMZYOOFRTNOESI-RKDXNWHRSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1sccc1Cl ZINC001575166738 952328600 /nfs/dbraw/zinc/32/86/00/952328600.db2.gz YGDDVKFIZQEYOT-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1sccc1Cl ZINC001575166738 952328607 /nfs/dbraw/zinc/32/86/07/952328607.db2.gz YGDDVKFIZQEYOT-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)CC[C@H]1CCCO1)C1CC1 ZINC001575173877 952358138 /nfs/dbraw/zinc/35/81/38/952358138.db2.gz BYYTVFZEJFVESM-FZKQIMNGSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)CC[C@H]1CCCO1)C1CC1 ZINC001575173877 952358146 /nfs/dbraw/zinc/35/81/46/952358146.db2.gz BYYTVFZEJFVESM-FZKQIMNGSA-N -1 1 386.460 1.313 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(CCS(=O)(=O)CC(=O)[O-])C[C@@H]21 ZINC001602902609 971826983 /nfs/dbraw/zinc/82/69/83/971826983.db2.gz DILMSHZMZVAADS-HZSPNIEDSA-N -1 1 390.502 1.111 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)Cc1cc(C2CC2)no1 ZINC001575174638 952377339 /nfs/dbraw/zinc/37/73/39/952377339.db2.gz BKANJMMWGNYCOO-JTQLQIEISA-N -1 1 383.416 1.024 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)Cc1cc(C2CC2)no1 ZINC001575174638 952377343 /nfs/dbraw/zinc/37/73/43/952377343.db2.gz BKANJMMWGNYCOO-JTQLQIEISA-N -1 1 383.416 1.024 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cc2c(o1)CCCC2 ZINC001575177804 952403831 /nfs/dbraw/zinc/40/38/31/952403831.db2.gz JTVDMLCVFIYXCP-NSHDSACASA-N -1 1 382.428 1.701 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cc2c(o1)CCCC2 ZINC001575177804 952403838 /nfs/dbraw/zinc/40/38/38/952403838.db2.gz JTVDMLCVFIYXCP-NSHDSACASA-N -1 1 382.428 1.701 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1[nH]cnc1C(C)(C)C ZINC001575178130 952404610 /nfs/dbraw/zinc/40/46/10/952404610.db2.gz KPDOYMIKNUYPDD-JTQLQIEISA-N -1 1 384.448 1.250 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1[nH]cnc1C(C)(C)C ZINC001575178130 952404615 /nfs/dbraw/zinc/40/46/15/952404615.db2.gz KPDOYMIKNUYPDD-JTQLQIEISA-N -1 1 384.448 1.250 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cscc1Cl ZINC001575179839 952414632 /nfs/dbraw/zinc/41/46/32/952414632.db2.gz RAKBWQBDTVLHCE-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cscc1Cl ZINC001575179839 952414635 /nfs/dbraw/zinc/41/46/35/952414635.db2.gz RAKBWQBDTVLHCE-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cc2n(c1)CCCC2 ZINC001575180213 952417010 /nfs/dbraw/zinc/41/70/10/952417010.db2.gz UCWLPGYPAIGJJI-LBPRGKRZSA-N -1 1 381.444 1.367 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cc2n(c1)CCCC2 ZINC001575180213 952417014 /nfs/dbraw/zinc/41/70/14/952417014.db2.gz UCWLPGYPAIGJJI-LBPRGKRZSA-N -1 1 381.444 1.367 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)COCC1CC1 ZINC001575180537 952418721 /nfs/dbraw/zinc/41/87/21/952418721.db2.gz VQHDKWONYBOZIC-MRVPVSSYSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)COCC1CC1 ZINC001575180537 952418727 /nfs/dbraw/zinc/41/87/27/952418727.db2.gz VQHDKWONYBOZIC-MRVPVSSYSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ocnc1C(F)F ZINC001575180662 952419092 /nfs/dbraw/zinc/41/90/92/952419092.db2.gz WPUSQSWCPLJUGG-SSDOTTSWSA-N -1 1 379.331 1.155 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ocnc1C(F)F ZINC001575180662 952419097 /nfs/dbraw/zinc/41/90/97/952419097.db2.gz WPUSQSWCPLJUGG-SSDOTTSWSA-N -1 1 379.331 1.155 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N(C)CCCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575188392 952447498 /nfs/dbraw/zinc/44/74/98/952447498.db2.gz HVHUIKAFGZQHAD-CYBMUJFWSA-N -1 1 384.444 1.413 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N(C)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575188599 952448830 /nfs/dbraw/zinc/44/88/30/952448830.db2.gz JYTATIMBZLMQMB-CHWSQXEVSA-N -1 1 382.428 1.166 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N(C)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575188599 952448834 /nfs/dbraw/zinc/44/88/34/952448834.db2.gz JYTATIMBZLMQMB-CHWSQXEVSA-N -1 1 382.428 1.166 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)Cc1ccccc1F ZINC001575191078 952466562 /nfs/dbraw/zinc/46/65/62/952466562.db2.gz WWAVROYFAMTRHM-VXGBXAGGSA-N -1 1 384.419 1.013 20 0 GDADMM CC(C)[C@H](CNC(=O)[C@@H](C)Cc1ccco1)Nc1nccnc1-c1nnn[n-]1 ZINC001575195507 952471761 /nfs/dbraw/zinc/47/17/61/952471761.db2.gz BLPBSFPYIFIGFK-JSGCOSHPSA-N -1 1 384.444 1.681 20 0 GDADMM CC(C)[C@H](CNC(=O)[C@@H](C)Cc1ccco1)Nc1nccnc1-c1nn[n-]n1 ZINC001575195507 952471765 /nfs/dbraw/zinc/47/17/65/952471765.db2.gz BLPBSFPYIFIGFK-JSGCOSHPSA-N -1 1 384.444 1.681 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)C2CCC(OC[C@@H]3CCCO3)CC2)n1 ZINC001571117137 952479578 /nfs/dbraw/zinc/47/95/78/952479578.db2.gz HCSUNPLUZNVEDC-BPCQOVAHSA-N -1 1 375.433 1.293 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)C2CCC(OC[C@@H]3CCCO3)CC2)n1 ZINC001571117137 952479580 /nfs/dbraw/zinc/47/95/80/952479580.db2.gz HCSUNPLUZNVEDC-BPCQOVAHSA-N -1 1 375.433 1.293 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC1CC(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001575197202 952480024 /nfs/dbraw/zinc/48/00/24/952480024.db2.gz PZGQKOUSQCCQJO-PNESKVBLSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC1CC(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001575197202 952480029 /nfs/dbraw/zinc/48/00/29/952480029.db2.gz PZGQKOUSQCCQJO-PNESKVBLSA-N -1 1 382.428 1.435 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)[C@@H]1Cc2ccccc21 ZINC001571119362 952490629 /nfs/dbraw/zinc/49/06/29/952490629.db2.gz ACVVVCRDCXMHSM-OSAQELSMSA-N -1 1 376.424 1.303 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)[C@@H]1Cc2ccccc21 ZINC001571119362 952490633 /nfs/dbraw/zinc/49/06/33/952490633.db2.gz ACVVVCRDCXMHSM-OSAQELSMSA-N -1 1 376.424 1.303 20 0 GDADMM O=C(c1cc(Cl)no1)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571119468 952492709 /nfs/dbraw/zinc/49/27/09/952492709.db2.gz BLPYOIOBRJJOPH-UHFFFAOYSA-N -1 1 375.780 1.015 20 0 GDADMM O=C(c1cc(Cl)no1)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571119468 952492716 /nfs/dbraw/zinc/49/27/16/952492716.db2.gz BLPYOIOBRJJOPH-UHFFFAOYSA-N -1 1 375.780 1.015 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001571120001 952497037 /nfs/dbraw/zinc/49/70/37/952497037.db2.gz HTGIPXHGJBLNSP-SNPRPXQTSA-N -1 1 376.424 1.250 20 0 GDADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@H]1CCN(C(=O)[C@@H]2Cc3ccccc32)C1 ZINC001571120467 952503888 /nfs/dbraw/zinc/50/38/88/952503888.db2.gz NGRCBOKVGOKWHC-DZGCQCFKSA-N -1 1 376.424 1.034 20 0 GDADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@H]1CCN(C(=O)[C@@H]2Cc3ccccc32)C1 ZINC001571120467 952503892 /nfs/dbraw/zinc/50/38/92/952503892.db2.gz NGRCBOKVGOKWHC-DZGCQCFKSA-N -1 1 376.424 1.034 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001571120840 952510692 /nfs/dbraw/zinc/51/06/92/952510692.db2.gz RCPDQYOWMDUVLT-OAHLLOKOSA-N -1 1 376.424 1.699 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001571120840 952510699 /nfs/dbraw/zinc/51/06/99/952510699.db2.gz RCPDQYOWMDUVLT-OAHLLOKOSA-N -1 1 376.424 1.699 20 0 GDADMM O=C(N[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2)c1ccccc1 ZINC001571121347 952519701 /nfs/dbraw/zinc/51/97/01/952519701.db2.gz YZFONWDOXIGXFA-LSDHHAIUSA-N -1 1 376.424 1.810 20 0 GDADMM O=C(N[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2)c1ccccc1 ZINC001571121347 952519706 /nfs/dbraw/zinc/51/97/06/952519706.db2.gz YZFONWDOXIGXFA-LSDHHAIUSA-N -1 1 376.424 1.810 20 0 GDADMM CC(C)[C@H](F)C(=O)N1CCCC[C@@H]1CN(C)c1nccnc1-c1nnn[n-]1 ZINC001571122257 952524086 /nfs/dbraw/zinc/52/40/86/952524086.db2.gz HXECCFRXUUNGEY-OLZOCXBDSA-N -1 1 376.440 1.468 20 0 GDADMM CC(C)[C@H](F)C(=O)N1CCCC[C@@H]1CN(C)c1nccnc1-c1nn[n-]n1 ZINC001571122257 952524088 /nfs/dbraw/zinc/52/40/88/952524088.db2.gz HXECCFRXUUNGEY-OLZOCXBDSA-N -1 1 376.440 1.468 20 0 GDADMM O=C(N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1csc(Cl)c1 ZINC001571122805 952526259 /nfs/dbraw/zinc/52/62/59/952526259.db2.gz LNPNWNZRLLLTEZ-SECBINFHSA-N -1 1 376.833 1.380 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001575214088 952561164 /nfs/dbraw/zinc/56/11/64/952561164.db2.gz GWIJSFDYNXVEFQ-RTCCRHLQSA-N -1 1 392.414 1.137 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001575214088 952561169 /nfs/dbraw/zinc/56/11/69/952561169.db2.gz GWIJSFDYNXVEFQ-RTCCRHLQSA-N -1 1 392.414 1.137 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575214649 952565518 /nfs/dbraw/zinc/56/55/18/952565518.db2.gz NLXWGSSLVBTVQE-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575214649 952565519 /nfs/dbraw/zinc/56/55/19/952565519.db2.gz NLXWGSSLVBTVQE-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM CCc1nc(N[C@@H]2CN(C(=O)[C@H]3CC3(F)F)C[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571129240 952574459 /nfs/dbraw/zinc/57/44/59/952574459.db2.gz BOYZZHHVJCLRIL-FXPVBKGRSA-N -1 1 378.387 1.133 20 0 GDADMM CCc1nc(N[C@@H]2CN(C(=O)[C@H]3CC3(F)F)C[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571129240 952574462 /nfs/dbraw/zinc/57/44/62/952574462.db2.gz BOYZZHHVJCLRIL-FXPVBKGRSA-N -1 1 378.387 1.133 20 0 GDADMM C[C@@H](NC(=O)[C@@H]1CC1(F)F)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571129998 952577820 /nfs/dbraw/zinc/57/78/20/952577820.db2.gz MKDBOYUAYQMQEK-KOLCDFICSA-N -1 1 378.387 1.033 20 0 GDADMM C[C@@H](NC(=O)[C@@H]1CC1(F)F)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571129998 952577825 /nfs/dbraw/zinc/57/78/25/952577825.db2.gz MKDBOYUAYQMQEK-KOLCDFICSA-N -1 1 378.387 1.033 20 0 GDADMM CCN(C(=O)[C@H]1CCC1(F)F)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571130456 952579542 /nfs/dbraw/zinc/57/95/42/952579542.db2.gz RCIYAVAYVRCIST-GHMZBOCLSA-N -1 1 378.387 1.129 20 0 GDADMM O=C([C@@H]1CC1(F)F)N1CCCC[C@@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001571130888 952582804 /nfs/dbraw/zinc/58/28/04/952582804.db2.gz XSHLGHWKRMYTTI-MNOVXSKESA-N -1 1 378.387 1.495 20 0 GDADMM O=C([C@@H]1CC1(F)F)N1CCCC[C@@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001571130888 952582808 /nfs/dbraw/zinc/58/28/08/952582808.db2.gz XSHLGHWKRMYTTI-MNOVXSKESA-N -1 1 378.387 1.495 20 0 GDADMM Cc1ccc(C(=O)N(C)[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)c(C)c1 ZINC001571134023 952585406 /nfs/dbraw/zinc/58/54/06/952585406.db2.gz BNMVJSMTZVAICG-AWEZNQCLSA-N -1 1 378.440 1.624 20 0 GDADMM Cc1ccc(C(=O)N(C)[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)c(C)c1 ZINC001571134023 952585410 /nfs/dbraw/zinc/58/54/10/952585410.db2.gz BNMVJSMTZVAICG-AWEZNQCLSA-N -1 1 378.440 1.624 20 0 GDADMM C[C@H]1C[C@@H](NC(=O)C2C=CC=CC=C2)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571134779 952594849 /nfs/dbraw/zinc/59/48/49/952594849.db2.gz LLIDOJSLAGDXTE-ZFWWWQNUSA-N -1 1 378.440 1.429 20 0 GDADMM C[C@H]1C[C@@H](NC(=O)C2C=CC=CC=C2)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571134779 952594852 /nfs/dbraw/zinc/59/48/52/952594852.db2.gz LLIDOJSLAGDXTE-ZFWWWQNUSA-N -1 1 378.440 1.429 20 0 GDADMM CC[C@@H]1CN(C(=O)c2ccccc2)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571134953 952597508 /nfs/dbraw/zinc/59/75/08/952597508.db2.gz NXXMHJBSYLDXKI-HIFRSBDPSA-N -1 1 378.440 1.431 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@H]2C)cc1C ZINC001571135352 952602864 /nfs/dbraw/zinc/60/28/64/952602864.db2.gz VZYKBCRCBMTPDU-UKRRQHHQSA-N -1 1 378.440 1.989 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@H]2C)cc1C ZINC001571135352 952602865 /nfs/dbraw/zinc/60/28/65/952602865.db2.gz VZYKBCRCBMTPDU-UKRRQHHQSA-N -1 1 378.440 1.989 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C)c1ccccc1 ZINC001571135414 952603450 /nfs/dbraw/zinc/60/34/50/952603450.db2.gz VOXYBSVHAMMLFN-NFAWXSAZSA-N -1 1 378.440 1.544 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C)c1ccccc1 ZINC001571135414 952603454 /nfs/dbraw/zinc/60/34/54/952603454.db2.gz VOXYBSVHAMMLFN-NFAWXSAZSA-N -1 1 378.440 1.544 20 0 GDADMM CCc1ccc(C(=O)N2CCCN(c3ccc(-c4nnn[n-]4)nn3)CC2)cc1 ZINC001571135520 952604190 /nfs/dbraw/zinc/60/41/90/952604190.db2.gz WDINRVTZQILTTF-UHFFFAOYSA-N -1 1 378.440 1.572 20 0 GDADMM CCc1ccc(C(=O)N2CCCN(c3ccc(-c4nn[n-]n4)nn3)CC2)cc1 ZINC001571135520 952604195 /nfs/dbraw/zinc/60/41/95/952604195.db2.gz WDINRVTZQILTTF-UHFFFAOYSA-N -1 1 378.440 1.572 20 0 GDADMM Cc1cc(C)cc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)[C@H]2C)c1 ZINC001571135543 952605445 /nfs/dbraw/zinc/60/54/45/952605445.db2.gz WHBRYZVHTXDQLM-UKRRQHHQSA-N -1 1 378.440 1.989 20 0 GDADMM Cc1cc(C)cc(C(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)[C@H]2C)c1 ZINC001571135543 952605447 /nfs/dbraw/zinc/60/54/47/952605447.db2.gz WHBRYZVHTXDQLM-UKRRQHHQSA-N -1 1 378.440 1.989 20 0 GDADMM O=C(Cc1ccccc1)N1CCCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571141929 952636985 /nfs/dbraw/zinc/63/69/85/952636985.db2.gz KTZKGEWASXYRGF-OAHLLOKOSA-N -1 1 378.440 1.692 20 0 GDADMM O=C(Cc1ccccc1)N1CCCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571141929 952636986 /nfs/dbraw/zinc/63/69/86/952636986.db2.gz KTZKGEWASXYRGF-OAHLLOKOSA-N -1 1 378.440 1.692 20 0 GDADMM C[C@H](C(=O)N(C)C1CC(Nc2cncc(-c3nnn[n-]3)n2)C1)c1cccnc1 ZINC001571146700 952651581 /nfs/dbraw/zinc/65/15/81/952651581.db2.gz AUKIWDQIJODODJ-XGNXJENSSA-N -1 1 379.428 1.257 20 0 GDADMM C[C@H](C(=O)N(C)C1CC(Nc2cncc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001571146700 952651582 /nfs/dbraw/zinc/65/15/82/952651582.db2.gz AUKIWDQIJODODJ-XGNXJENSSA-N -1 1 379.428 1.257 20 0 GDADMM O=C(c1ccc[nH]1)N1C[C@@H]2CCC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@@H]2C1 ZINC001571146714 952652220 /nfs/dbraw/zinc/65/22/20/952652220.db2.gz LTGZKWPBSVCVNB-XQQFMLRXSA-N -1 1 379.428 1.338 20 0 GDADMM O=C(c1ccc[nH]1)N1C[C@@H]2CCC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@@H]2C1 ZINC001571146714 952652224 /nfs/dbraw/zinc/65/22/24/952652224.db2.gz LTGZKWPBSVCVNB-XQQFMLRXSA-N -1 1 379.428 1.338 20 0 GDADMM O=C(NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)c1c[nH]cc1C1CC1 ZINC001571146862 952654288 /nfs/dbraw/zinc/65/42/88/952654288.db2.gz OILNMKXTGIFQDK-GFCCVEGCSA-N -1 1 379.428 1.261 20 0 GDADMM O=C(NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)c1c[nH]cc1C1CC1 ZINC001571146862 952654292 /nfs/dbraw/zinc/65/42/92/952654292.db2.gz OILNMKXTGIFQDK-GFCCVEGCSA-N -1 1 379.428 1.261 20 0 GDADMM C[C@]12CN(C(=O)C3CC3)C[C@H]1CN(c1snc(Cl)c1-c1nnn[n-]1)C2 ZINC001571152054 952681203 /nfs/dbraw/zinc/68/12/03/952681203.db2.gz BXRFRZFPHLURGW-BJOHPYRUSA-N -1 1 379.877 1.671 20 0 GDADMM C[C@]12CN(C(=O)C3CC3)C[C@H]1CN(c1snc(Cl)c1-c1nn[n-]n1)C2 ZINC001571152054 952681207 /nfs/dbraw/zinc/68/12/07/952681207.db2.gz BXRFRZFPHLURGW-BJOHPYRUSA-N -1 1 379.877 1.671 20 0 GDADMM O=C(Cc1ccc(NC(=O)C(F)(F)F)cc1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001571152607 952683447 /nfs/dbraw/zinc/68/34/47/952683447.db2.gz HIAACAOUUWJDDE-UHFFFAOYSA-N -1 1 380.290 1.272 20 0 GDADMM O=C(Cc1ccc(NC(=O)C(F)(F)F)cc1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001571152607 952683448 /nfs/dbraw/zinc/68/34/48/952683448.db2.gz HIAACAOUUWJDDE-UHFFFAOYSA-N -1 1 380.290 1.272 20 0 GDADMM Cc1c[nH]nc1C(=O)N[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571152898 952683604 /nfs/dbraw/zinc/68/36/04/952683604.db2.gz KNPVAXLENSLAFM-SSDOTTSWSA-N -1 1 379.837 1.017 20 0 GDADMM CN(c1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001571155158 952694024 /nfs/dbraw/zinc/69/40/24/952694024.db2.gz JHZIJEXUIRUOLG-JHJVBQTASA-N -1 1 380.412 1.091 20 0 GDADMM CC(=O)c1c(C)[nH]c(C(=O)Cn2c3c(cc(-c4nn[n-]n4)c2=O)CCC3)c1C ZINC001571155687 952698837 /nfs/dbraw/zinc/69/88/37/952698837.db2.gz XQYQWHXVGJUQTM-UHFFFAOYSA-N -1 1 380.408 1.548 20 0 GDADMM Cc1ccncc1CC(=O)N1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001571156003 952699544 /nfs/dbraw/zinc/69/95/44/952699544.db2.gz ANHDHRRZXNMNTD-TZMCWYRMSA-N -1 1 379.428 1.004 20 0 GDADMM Cc1ccncc1CC(=O)N1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001571156003 952699547 /nfs/dbraw/zinc/69/95/47/952699547.db2.gz ANHDHRRZXNMNTD-TZMCWYRMSA-N -1 1 379.428 1.004 20 0 GDADMM Cc1cccnc1C(=O)N1CCC(N(C)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571157103 952705914 /nfs/dbraw/zinc/70/59/14/952705914.db2.gz MKZRPIWQXPOPPP-UHFFFAOYSA-N -1 1 379.428 1.101 20 0 GDADMM Cc1cncc(CC(=O)N2CCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)c1 ZINC001571157248 952707398 /nfs/dbraw/zinc/70/73/98/952707398.db2.gz NXFDKZQDWWKEPM-CQSZACIVSA-N -1 1 379.428 1.006 20 0 GDADMM Cc1cncc(CC(=O)N2CCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)c1 ZINC001571157248 952707400 /nfs/dbraw/zinc/70/74/00/952707400.db2.gz NXFDKZQDWWKEPM-CQSZACIVSA-N -1 1 379.428 1.006 20 0 GDADMM Cc1cncc(C(=O)N2CCCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)c1 ZINC001571157967 952708722 /nfs/dbraw/zinc/70/87/22/952708722.db2.gz OUWXBJPPDCOVHV-CQSZACIVSA-N -1 1 379.428 1.467 20 0 GDADMM Cc1cncc(C(=O)N2CCCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)c1 ZINC001571157967 952708723 /nfs/dbraw/zinc/70/87/23/952708723.db2.gz OUWXBJPPDCOVHV-CQSZACIVSA-N -1 1 379.428 1.467 20 0 GDADMM Cc1ccc(N2C[C@H](C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CC2=O)cc1C ZINC001571158342 952711650 /nfs/dbraw/zinc/71/16/50/952711650.db2.gz HUUBOIRCDOOBED-GFCCVEGCSA-N -1 1 380.412 1.209 20 0 GDADMM Cc1ccc(N2C[C@H](C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CC2=O)cc1C ZINC001571158342 952711653 /nfs/dbraw/zinc/71/16/53/952711653.db2.gz HUUBOIRCDOOBED-GFCCVEGCSA-N -1 1 380.412 1.209 20 0 GDADMM O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CCC[C@@H]2[C@H]1CCN2c1nccnc1-c1nnn[n-]1 ZINC001571171545 952793514 /nfs/dbraw/zinc/79/35/14/952793514.db2.gz BSKRBUVHGOYSLI-KHMAMNHCSA-N -1 1 380.456 1.273 20 0 GDADMM O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CCC[C@@H]2[C@H]1CCN2c1nccnc1-c1nn[n-]n1 ZINC001571171545 952793517 /nfs/dbraw/zinc/79/35/17/952793517.db2.gz BSKRBUVHGOYSLI-KHMAMNHCSA-N -1 1 380.456 1.273 20 0 GDADMM O=C([C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571171716 952795764 /nfs/dbraw/zinc/79/57/64/952795764.db2.gz DQQYZAORNFNMER-RSZILCHPSA-N -1 1 380.456 1.209 20 0 GDADMM O=C([C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571171716 952795768 /nfs/dbraw/zinc/79/57/68/952795768.db2.gz DQQYZAORNFNMER-RSZILCHPSA-N -1 1 380.456 1.209 20 0 GDADMM C[C@H](C(=O)N1CC[C@](C)(CNc2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001571179529 952853010 /nfs/dbraw/zinc/85/30/10/952853010.db2.gz FOERZGJDFNYOFR-FZKQIMNGSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@H](C(=O)N1CC[C@](C)(CNc2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001571179529 952853014 /nfs/dbraw/zinc/85/30/14/952853014.db2.gz FOERZGJDFNYOFR-FZKQIMNGSA-N -1 1 381.444 1.370 20 0 GDADMM CCCc1[nH]ccc1C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001571183463 952878273 /nfs/dbraw/zinc/87/82/73/952878273.db2.gz AVSFISLVRPKDNK-IAQYHMDHSA-N -1 1 381.444 1.192 20 0 GDADMM CCCc1[nH]ccc1C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001571183463 952878274 /nfs/dbraw/zinc/87/82/74/952878274.db2.gz AVSFISLVRPKDNK-IAQYHMDHSA-N -1 1 381.444 1.192 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)C1CCN(C(=O)c2ccn(C)c2)CC1 ZINC001571183743 952881747 /nfs/dbraw/zinc/88/17/47/952881747.db2.gz INGSJOJNGFOADR-GFCCVEGCSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)C1CCN(C(=O)c2ccn(C)c2)CC1 ZINC001571183743 952881748 /nfs/dbraw/zinc/88/17/48/952881748.db2.gz INGSJOJNGFOADR-GFCCVEGCSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1)n1cccc1 ZINC001571184080 952887977 /nfs/dbraw/zinc/88/79/77/952887977.db2.gz PUXUKLCXZNXUAY-ZIAGYGMSSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1)n1cccc1 ZINC001571184080 952887980 /nfs/dbraw/zinc/88/79/80/952887980.db2.gz PUXUKLCXZNXUAY-ZIAGYGMSSA-N -1 1 381.444 1.512 20 0 GDADMM CCc1nc(NC[C@H]2CCN(C(=O)c3cc[nH]c3C)C2)cc(-c2nnn[n-]2)n1 ZINC001571184171 952888997 /nfs/dbraw/zinc/88/89/97/952888997.db2.gz SLIMXCOZDDDZQQ-GFCCVEGCSA-N -1 1 381.444 1.430 20 0 GDADMM CCc1nc(NC[C@H]2CCN(C(=O)c3cc[nH]c3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571184171 952889004 /nfs/dbraw/zinc/88/90/04/952889004.db2.gz SLIMXCOZDDDZQQ-GFCCVEGCSA-N -1 1 381.444 1.430 20 0 GDADMM CN(CCC1CCN(C(=O)c2cc[nH]c2)CC1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571185783 952903375 /nfs/dbraw/zinc/90/33/75/952903375.db2.gz PMUXMHMTQOWBHL-UHFFFAOYSA-N -1 1 381.444 1.364 20 0 GDADMM CN(CCC1CCN(C(=O)c2cc[nH]c2)CC1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571185783 952903378 /nfs/dbraw/zinc/90/33/78/952903378.db2.gz PMUXMHMTQOWBHL-UHFFFAOYSA-N -1 1 381.444 1.364 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](NC(=O)Cc3ccc[nH]3)CC[C@H]2C)n1 ZINC001571186148 952905561 /nfs/dbraw/zinc/90/55/61/952905561.db2.gz UHMAJNDOUKXQFV-OCCSQVGLSA-N -1 1 381.444 1.009 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](NC(=O)Cc3ccc[nH]3)CC[C@H]2C)n1 ZINC001571186148 952905563 /nfs/dbraw/zinc/90/55/63/952905563.db2.gz UHMAJNDOUKXQFV-OCCSQVGLSA-N -1 1 381.444 1.009 20 0 GDADMM CCn1cccc1C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571186346 952906268 /nfs/dbraw/zinc/90/62/68/952906268.db2.gz XEWFXNPXYLIWIA-JOCQHMNTSA-N -1 1 381.444 1.631 20 0 GDADMM CCn1cccc1C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571186346 952906271 /nfs/dbraw/zinc/90/62/71/952906271.db2.gz XEWFXNPXYLIWIA-JOCQHMNTSA-N -1 1 381.444 1.631 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)[C@@H]2CCCCN2C(=O)c2cc[nH]c2)n1 ZINC001571186598 952908290 /nfs/dbraw/zinc/90/82/90/952908290.db2.gz XXSHUTUGUMKZGI-WFASDCNBSA-N -1 1 381.444 1.789 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)[C@@H]2CCCCN2C(=O)c2cc[nH]c2)n1 ZINC001571186598 952908293 /nfs/dbraw/zinc/90/82/93/952908293.db2.gz XXSHUTUGUMKZGI-WFASDCNBSA-N -1 1 381.444 1.789 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CCCC[C@H]1[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571188173 952912192 /nfs/dbraw/zinc/91/21/92/952912192.db2.gz HINYKRRIGJCRLP-JSGCOSHPSA-N -1 1 381.444 1.789 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CCCC[C@H]1[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571188173 952912196 /nfs/dbraw/zinc/91/21/96/952912196.db2.gz HINYKRRIGJCRLP-JSGCOSHPSA-N -1 1 381.444 1.789 20 0 GDADMM Cc1ccn(C)c1C(=O)N1C[C@@H](CNc2nccnc2-c2nnn[n-]2)[C@H](C)C1 ZINC001571188183 952912538 /nfs/dbraw/zinc/91/25/38/952912538.db2.gz HMIXOFLBXULUNQ-CHWSQXEVSA-N -1 1 381.444 1.124 20 0 GDADMM Cc1ccn(C)c1C(=O)N1C[C@@H](CNc2nccnc2-c2nn[n-]n2)[C@H](C)C1 ZINC001571188183 952912546 /nfs/dbraw/zinc/91/25/46/952912546.db2.gz HMIXOFLBXULUNQ-CHWSQXEVSA-N -1 1 381.444 1.124 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)[C@H]2C)[nH]1 ZINC001571188333 952913761 /nfs/dbraw/zinc/91/37/61/952913761.db2.gz IQQXZSJCKFTZSH-STQMWFEESA-N -1 1 381.444 1.389 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)[C@H]2C)[nH]1 ZINC001571188333 952913762 /nfs/dbraw/zinc/91/37/62/952913762.db2.gz IQQXZSJCKFTZSH-STQMWFEESA-N -1 1 381.444 1.389 20 0 GDADMM O=C(Cc1ccc[nH]1)N1CCCC[C@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001571188468 952916363 /nfs/dbraw/zinc/91/63/63/952916363.db2.gz BEVBOOURMHOTMH-AWEZNQCLSA-N -1 1 381.444 1.411 20 0 GDADMM O=C(Cc1ccc[nH]1)N1CCCC[C@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001571188468 952916366 /nfs/dbraw/zinc/91/63/66/952916366.db2.gz BEVBOOURMHOTMH-AWEZNQCLSA-N -1 1 381.444 1.411 20 0 GDADMM Cc1nsc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(C)cc2)c1-c1nn[n-]n1 ZINC001571188741 952919452 /nfs/dbraw/zinc/91/94/52/952919452.db2.gz HGXSLYNGFULTAW-NHAGDIPZSA-N -1 1 381.465 1.805 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CCC(CN(C)c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571189612 952932645 /nfs/dbraw/zinc/93/26/45/952932645.db2.gz YJWFSKOKVPDSKZ-UHFFFAOYSA-N -1 1 381.444 1.282 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CCC(CN(C)c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571189612 952932652 /nfs/dbraw/zinc/93/26/52/952932652.db2.gz YJWFSKOKVPDSKZ-UHFFFAOYSA-N -1 1 381.444 1.282 20 0 GDADMM Cc1ccc(F)cc1C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571196382 952982007 /nfs/dbraw/zinc/98/20/07/952982007.db2.gz KBGIXMSWEVHHRM-ZDUSSCGKSA-N -1 1 382.403 1.503 20 0 GDADMM Cc1ccc(F)cc1C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571196382 952982013 /nfs/dbraw/zinc/98/20/13/952982013.db2.gz KBGIXMSWEVHHRM-ZDUSSCGKSA-N -1 1 382.403 1.503 20 0 GDADMM C[C@H]1C[C@@H]1C(=O)NCc1ccc(CNc2nccnc2-c2nnn[n-]2)cc1F ZINC001571196658 952982957 /nfs/dbraw/zinc/98/29/57/952982957.db2.gz LYOGSNCAQWTEAP-GWCFXTLKSA-N -1 1 382.403 1.680 20 0 GDADMM C[C@H]1C[C@@H]1C(=O)NCc1ccc(CNc2nccnc2-c2nn[n-]n2)cc1F ZINC001571196658 952982966 /nfs/dbraw/zinc/98/29/66/952982966.db2.gz LYOGSNCAQWTEAP-GWCFXTLKSA-N -1 1 382.403 1.680 20 0 GDADMM Cc1c(F)cccc1C(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571197004 952985609 /nfs/dbraw/zinc/98/56/09/952985609.db2.gz RDICAAUMLOQQRV-QMTHXVAHSA-N -1 1 382.403 1.677 20 0 GDADMM Cc1c(F)cccc1C(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571197004 952985616 /nfs/dbraw/zinc/98/56/16/952985616.db2.gz RDICAAUMLOQQRV-QMTHXVAHSA-N -1 1 382.403 1.677 20 0 GDADMM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1NC(=O)[C@H](F)c1ccccc1 ZINC001571197008 952986155 /nfs/dbraw/zinc/98/61/55/952986155.db2.gz RGMGOENUBVKVOB-DJSGYFEHSA-N -1 1 382.403 1.308 20 0 GDADMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1NC(=O)[C@H](F)c1ccccc1 ZINC001571197008 952986164 /nfs/dbraw/zinc/98/61/64/952986164.db2.gz RGMGOENUBVKVOB-DJSGYFEHSA-N -1 1 382.403 1.308 20 0 GDADMM CN(C(=O)[C@H](F)c1ccccc1)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571197181 952986866 /nfs/dbraw/zinc/98/68/66/952986866.db2.gz UAOTWQWYMSELIM-CZUORRHYSA-N -1 1 382.403 1.405 20 0 GDADMM CN(C(=O)[C@H](F)c1ccccc1)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571197181 952986870 /nfs/dbraw/zinc/98/68/70/952986870.db2.gz UAOTWQWYMSELIM-CZUORRHYSA-N -1 1 382.403 1.405 20 0 GDADMM Cc1cccc(F)c1C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571197161 952987122 /nfs/dbraw/zinc/98/71/22/952987122.db2.gz SWFNJDHLNVZDKU-LBPRGKRZSA-N -1 1 382.403 1.503 20 0 GDADMM Cc1cccc(F)c1C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571197161 952987125 /nfs/dbraw/zinc/98/71/25/952987125.db2.gz SWFNJDHLNVZDKU-LBPRGKRZSA-N -1 1 382.403 1.503 20 0 GDADMM Cc1cc(C(=O)NC[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)ccc1F ZINC001571197427 952989814 /nfs/dbraw/zinc/98/98/14/952989814.db2.gz ZTTFETPZJVBIIL-LBPRGKRZSA-N -1 1 382.403 1.361 20 0 GDADMM Cc1cc(C(=O)NC[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)ccc1F ZINC001571197427 952989817 /nfs/dbraw/zinc/98/98/17/952989817.db2.gz ZTTFETPZJVBIIL-LBPRGKRZSA-N -1 1 382.403 1.361 20 0 GDADMM CCc1occc1C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001571198762 952993376 /nfs/dbraw/zinc/99/33/76/952993376.db2.gz FUONBSYGWCMYFE-VXGBXAGGSA-N -1 1 382.428 1.917 20 0 GDADMM CCc1occc1C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001571198762 952993380 /nfs/dbraw/zinc/99/33/80/952993380.db2.gz FUONBSYGWCMYFE-VXGBXAGGSA-N -1 1 382.428 1.917 20 0 GDADMM Cc1ccc([C@@H](C)C(=O)N2CCC(Nc3cnc(-c4nnn[n-]4)cn3)CC2)o1 ZINC001571200079 953006412 /nfs/dbraw/zinc/00/64/12/953006412.db2.gz AJWJEUNYKZRHMR-GFCCVEGCSA-N -1 1 382.428 1.765 20 0 GDADMM Cc1ccc([C@@H](C)C(=O)N2CCC(Nc3cnc(-c4nn[n-]n4)cn3)CC2)o1 ZINC001571200079 953006415 /nfs/dbraw/zinc/00/64/15/953006415.db2.gz AJWJEUNYKZRHMR-GFCCVEGCSA-N -1 1 382.428 1.765 20 0 GDADMM Cc1ccoc1C(=O)N1CCCC[C@H]1[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571200887 953012929 /nfs/dbraw/zinc/01/29/29/953012929.db2.gz HNLVFHWTWPUEEU-OLZOCXBDSA-N -1 1 382.428 1.475 20 0 GDADMM Cc1ccoc1C(=O)N[C@@H](C)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571201014 953013852 /nfs/dbraw/zinc/01/38/52/953013852.db2.gz IBLUGIIEMWXZNK-LBPRGKRZSA-N -1 1 382.428 1.593 20 0 GDADMM Cc1coc(C(=O)N[C@@H](C)[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571201382 953017083 /nfs/dbraw/zinc/01/70/83/953017083.db2.gz LPCAOIYSOCJMPB-QWHCGFSZSA-N -1 1 382.428 1.593 20 0 GDADMM Cc1coc(C(=O)N[C@@H](C)[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571201382 953017087 /nfs/dbraw/zinc/01/70/87/953017087.db2.gz LPCAOIYSOCJMPB-QWHCGFSZSA-N -1 1 382.428 1.593 20 0 GDADMM Cc1cc(C(=O)N2CCCC[C@H]2CN(C)c2cncc(-c3nnn[n-]3)n2)co1 ZINC001571201654 953019428 /nfs/dbraw/zinc/01/94/28/953019428.db2.gz MJIBLJWUJFUUDG-AWEZNQCLSA-N -1 1 382.428 1.689 20 0 GDADMM Cc1cc(C(=O)N2CCCC[C@H]2CN(C)c2cncc(-c3nn[n-]n3)n2)co1 ZINC001571201654 953019433 /nfs/dbraw/zinc/01/94/33/953019433.db2.gz MJIBLJWUJFUUDG-AWEZNQCLSA-N -1 1 382.428 1.689 20 0 GDADMM Cc1ccoc1CC(=O)N[C@H]1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571201788 953020667 /nfs/dbraw/zinc/02/06/67/953020667.db2.gz OGALMPYYJQTTPV-JOCQHMNTSA-N -1 1 382.428 1.062 20 0 GDADMM Cc1coc(C)c1C(=O)N1CC[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)[C@H]1C ZINC001571202577 953026510 /nfs/dbraw/zinc/02/65/10/953026510.db2.gz VDNAKBWPQNIYRF-YPMHNXCESA-N -1 1 382.428 1.890 20 0 GDADMM Cc1coc(C)c1C(=O)N1CC[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)[C@H]1C ZINC001571202577 953026513 /nfs/dbraw/zinc/02/65/13/953026513.db2.gz VDNAKBWPQNIYRF-YPMHNXCESA-N -1 1 382.428 1.890 20 0 GDADMM Cc1cc(C(=O)N2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C(C)(C)C2)oc1C ZINC001571202776 953029008 /nfs/dbraw/zinc/02/90/08/953029008.db2.gz YOVFIZDKQCSHHV-CQSZACIVSA-N -1 1 382.428 1.829 20 0 GDADMM Cc1cc(C(=O)N2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C(C)(C)C2)oc1C ZINC001571202776 953029012 /nfs/dbraw/zinc/02/90/12/953029012.db2.gz YOVFIZDKQCSHHV-CQSZACIVSA-N -1 1 382.428 1.829 20 0 GDADMM Cc1coc(C)c1C(=O)N1CC[C@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571202766 953029335 /nfs/dbraw/zinc/02/93/35/953029335.db2.gz YGPYJSBLGBIIPF-CYBMUJFWSA-N -1 1 382.428 1.749 20 0 GDADMM Cc1coc(C)c1C(=O)N1CC[C@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571202766 953029339 /nfs/dbraw/zinc/02/93/39/953029339.db2.gz YGPYJSBLGBIIPF-CYBMUJFWSA-N -1 1 382.428 1.749 20 0 GDADMM CC(C)n1nccc1C(=O)N1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C[C@@H]1C ZINC001571205183 953035989 /nfs/dbraw/zinc/03/59/89/953035989.db2.gz HARCZHSIGSUJIH-NWDGAFQWSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1nccc1C(=O)N1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C[C@@H]1C ZINC001571205183 953035993 /nfs/dbraw/zinc/03/59/93/953035993.db2.gz HARCZHSIGSUJIH-NWDGAFQWSA-N -1 1 382.432 1.149 20 0 GDADMM CCCc1cc(C(=O)N2CCC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)[nH]n1 ZINC001571205203 953037092 /nfs/dbraw/zinc/03/70/92/953037092.db2.gz HJKQPSLYYGWJQB-GFCCVEGCSA-N -1 1 382.432 1.049 20 0 GDADMM O=C(CCc1ccoc1)N1CCC(CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571205389 953037861 /nfs/dbraw/zinc/03/78/61/953037861.db2.gz IVBBQNKZOCDOBM-UHFFFAOYSA-N -1 1 382.428 1.533 20 0 GDADMM O=C(CCc1ccoc1)N1CCC(CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571205389 953037864 /nfs/dbraw/zinc/03/78/64/953037864.db2.gz IVBBQNKZOCDOBM-UHFFFAOYSA-N -1 1 382.428 1.533 20 0 GDADMM CC(C)n1cc(C(=O)N2CCC[C@H]2CNc2nccnc2-c2nnn[n-]2)cn1 ZINC001571206345 953050450 /nfs/dbraw/zinc/05/04/50/953050450.db2.gz OPVRKVIVZCOHKV-ZDUSSCGKSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1cc(C(=O)N2CCC[C@H]2CNc2nccnc2-c2nn[n-]n2)cn1 ZINC001571206345 953050453 /nfs/dbraw/zinc/05/04/53/953050453.db2.gz OPVRKVIVZCOHKV-ZDUSSCGKSA-N -1 1 382.432 1.151 20 0 GDADMM CCCc1n[nH]cc1C(=O)N[C@H]1C[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571206664 953053591 /nfs/dbraw/zinc/05/35/91/953053591.db2.gz VXJXZJKZIBERCM-PHIMTYICSA-N -1 1 382.432 1.014 20 0 GDADMM CCCc1n[nH]cc1C(=O)N[C@H]1C[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571206664 953053594 /nfs/dbraw/zinc/05/35/94/953053594.db2.gz VXJXZJKZIBERCM-PHIMTYICSA-N -1 1 382.432 1.014 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2[C@H](C)CCCN2C(=O)c2cn[nH]c2)n1 ZINC001571207246 953060824 /nfs/dbraw/zinc/06/08/24/953060824.db2.gz OYRNMVVLPKZGGI-YGRLFVJLSA-N -1 1 382.432 1.041 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2[C@H](C)CCCN2C(=O)c2cn[nH]c2)n1 ZINC001571207246 953060828 /nfs/dbraw/zinc/06/08/28/953060828.db2.gz OYRNMVVLPKZGGI-YGRLFVJLSA-N -1 1 382.432 1.041 20 0 GDADMM O=C(N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1sccc1C1CC1 ZINC001571210422 953072284 /nfs/dbraw/zinc/07/22/84/953072284.db2.gz RFZJRQDUIABPOF-NSHDSACASA-N -1 1 382.453 1.604 20 0 GDADMM O=C(N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1sccc1C1CC1 ZINC001571210422 953072288 /nfs/dbraw/zinc/07/22/88/953072288.db2.gz RFZJRQDUIABPOF-NSHDSACASA-N -1 1 382.453 1.604 20 0 GDADMM O=C(N[C@@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2)c1ccsc1 ZINC001571210426 953072367 /nfs/dbraw/zinc/07/23/67/953072367.db2.gz RNNFYWLKOUPRKK-CXAGYDPISA-N -1 1 382.453 1.650 20 0 GDADMM O=C(N[C@@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2)c1ccsc1 ZINC001571210426 953072368 /nfs/dbraw/zinc/07/23/68/953072368.db2.gz RNNFYWLKOUPRKK-CXAGYDPISA-N -1 1 382.453 1.650 20 0 GDADMM O=C(N[C@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2)c1cccs1 ZINC001571210774 953073791 /nfs/dbraw/zinc/07/37/91/953073791.db2.gz WWXPPAAVIAVMMB-ZDUSSCGKSA-N -1 1 382.453 1.507 20 0 GDADMM O=C(N[C@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2)c1cccs1 ZINC001571210774 953073795 /nfs/dbraw/zinc/07/37/95/953073795.db2.gz WWXPPAAVIAVMMB-ZDUSSCGKSA-N -1 1 382.453 1.507 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@]2(C)CCN(C(=O)C3CC4(CC4)C3)C2)n1 ZINC001571211574 953078684 /nfs/dbraw/zinc/07/86/84/953078684.db2.gz BXSFNDHVMMSRPZ-SFHVURJKSA-N -1 1 382.472 1.806 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@]2(C)CCN(C(=O)C3CC4(CC4)C3)C2)n1 ZINC001571211574 953078689 /nfs/dbraw/zinc/07/86/89/953078689.db2.gz BXSFNDHVMMSRPZ-SFHVURJKSA-N -1 1 382.472 1.806 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2CC[C@@H](C)C2)n1 ZINC001571211761 953080201 /nfs/dbraw/zinc/08/02/01/953080201.db2.gz FOPSXQVLHAUFLL-DHTYTYEMSA-N -1 1 382.472 1.342 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2CC[C@@H](C)C2)n1 ZINC001571211761 953080206 /nfs/dbraw/zinc/08/02/06/953080206.db2.gz FOPSXQVLHAUFLL-DHTYTYEMSA-N -1 1 382.472 1.342 20 0 GDADMM C[C@]1(NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571211749 953080359 /nfs/dbraw/zinc/08/03/59/953080359.db2.gz FCIVYARROVUILT-LJPSSGMGSA-N -1 1 382.472 1.568 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2CC[C@@H](C)C2)n1 ZINC001571211762 953080409 /nfs/dbraw/zinc/08/04/09/953080409.db2.gz FOPSXQVLHAUFLL-FWGRZNJNSA-N -1 1 382.472 1.342 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2CC[C@@H](C)C2)n1 ZINC001571211762 953080413 /nfs/dbraw/zinc/08/04/13/953080413.db2.gz FOPSXQVLHAUFLL-FWGRZNJNSA-N -1 1 382.472 1.342 20 0 GDADMM C[C@H]1CC(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)C[C@H](C)C1 ZINC001571212040 953082887 /nfs/dbraw/zinc/08/28/87/953082887.db2.gz HQRWHEHFQLWWTC-WRHHYAMVSA-N -1 1 382.472 1.280 20 0 GDADMM C[C@H]1CC(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)C[C@H](C)C1 ZINC001571212040 953082893 /nfs/dbraw/zinc/08/28/93/953082893.db2.gz HQRWHEHFQLWWTC-WRHHYAMVSA-N -1 1 382.472 1.280 20 0 GDADMM CC1CC(C(=O)N2CCC[C@@]3(CCN(c4ccc(-c5nnn[n-]5)nn4)C3)C2)C1 ZINC001571212281 953086353 /nfs/dbraw/zinc/08/63/53/953086353.db2.gz KOVLZGLAMMECFP-MHVYXZCWSA-N -1 1 382.472 1.522 20 0 GDADMM CC1CC(C(=O)N2CCC[C@@]3(CCN(c4ccc(-c5nn[n-]n5)nn4)C3)C2)C1 ZINC001571212281 953086356 /nfs/dbraw/zinc/08/63/56/953086356.db2.gz KOVLZGLAMMECFP-MHVYXZCWSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)CN(c2ccc(-c3nnn[n-]3)nn2)CC[C@@H]1NC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001571212857 953091719 /nfs/dbraw/zinc/09/17/19/953091719.db2.gz NPKMHWLEMFJEGI-CQJJVWNLSA-N -1 1 382.472 1.424 20 0 GDADMM CC1(C)CN(c2ccc(-c3nn[n-]n3)nn2)CC[C@@H]1NC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001571212857 953091721 /nfs/dbraw/zinc/09/17/21/953091721.db2.gz NPKMHWLEMFJEGI-CQJJVWNLSA-N -1 1 382.472 1.424 20 0 GDADMM CCc1nc(NC[C@H]2CCCN(C(=O)[C@@H]3CC34CC4)C2)cc(-c2nnn[n-]2)n1 ZINC001571212896 953091796 /nfs/dbraw/zinc/09/17/96/953091796.db2.gz NYXRSGHUXKONRN-OLZOCXBDSA-N -1 1 382.472 1.670 20 0 GDADMM CCc1nc(NC[C@H]2CCCN(C(=O)[C@@H]3CC34CC4)C2)cc(-c2nn[n-]n2)n1 ZINC001571212896 953091802 /nfs/dbraw/zinc/09/18/02/953091802.db2.gz NYXRSGHUXKONRN-OLZOCXBDSA-N -1 1 382.472 1.670 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)[C@@H]3C[C@H]3C3CCC3)[C@H]2C)n1 ZINC001571213211 953093253 /nfs/dbraw/zinc/09/32/53/953093253.db2.gz PRTJGJJECBQXSB-BEAPCOKYSA-N -1 1 382.472 1.485 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)[C@@H]3C[C@H]3C3CCC3)[C@H]2C)n1 ZINC001571213211 953093258 /nfs/dbraw/zinc/09/32/58/953093258.db2.gz PRTJGJJECBQXSB-BEAPCOKYSA-N -1 1 382.472 1.485 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H]3[C@H]2CCCN3C(=O)CCC2CC2)n1 ZINC001571213263 953094710 /nfs/dbraw/zinc/09/47/10/953094710.db2.gz QMZJCIOKOYYDHC-HZPDHXFCSA-N -1 1 382.472 1.725 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H]3[C@H]2CCCN3C(=O)CCC2CC2)n1 ZINC001571213263 953094713 /nfs/dbraw/zinc/09/47/13/953094713.db2.gz QMZJCIOKOYYDHC-HZPDHXFCSA-N -1 1 382.472 1.725 20 0 GDADMM Cc1nc(C(=O)N2CCC[C@H](CCNc3nccnc3-c3nn[n-]n3)C2)c[nH]1 ZINC001571213465 953095881 /nfs/dbraw/zinc/09/58/81/953095881.db2.gz UNRXSDRUKVISKJ-GFCCVEGCSA-N -1 1 382.432 1.043 20 0 GDADMM CC1(C)CN(C(=O)[C@@H]2C[C@H]2C2CCC2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571213610 953096282 /nfs/dbraw/zinc/09/62/82/953096282.db2.gz SGXZNMDUANGKEV-GZBFAFLISA-N -1 1 382.472 1.742 20 0 GDADMM CC1(C)CN(C(=O)[C@@H]2C[C@H]2C2CCC2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571213610 953096289 /nfs/dbraw/zinc/09/62/89/953096289.db2.gz SGXZNMDUANGKEV-GZBFAFLISA-N -1 1 382.472 1.742 20 0 GDADMM CC1(C)[C@H](NC(=O)CC2CC2)[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)[C@@H]21 ZINC001571214053 953099159 /nfs/dbraw/zinc/09/91/59/953099159.db2.gz VWWXBPWTTRWDQF-JLZZUVOBSA-N -1 1 382.472 1.566 20 0 GDADMM CC1(C)[C@H](NC(=O)CC2CC2)[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)[C@@H]21 ZINC001571214053 953099164 /nfs/dbraw/zinc/09/91/64/953099164.db2.gz VWWXBPWTTRWDQF-JLZZUVOBSA-N -1 1 382.472 1.566 20 0 GDADMM CC1(CC(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(-c3nn[n-]n3)n2)CCCCC1 ZINC001571214082 953099570 /nfs/dbraw/zinc/09/95/70/953099570.db2.gz WKDSLZNJWPXDEI-KBPBESRZSA-N -1 1 382.472 1.807 20 0 GDADMM CC1(C)CC[C@H]1C(=O)N1CC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001571214066 953099582 /nfs/dbraw/zinc/09/95/82/953099582.db2.gz WAXTZWQJKRJUIK-ORAYPTAESA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)CC[C@H]1C(=O)N1CC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001571214066 953099584 /nfs/dbraw/zinc/09/95/84/953099584.db2.gz WAXTZWQJKRJUIK-ORAYPTAESA-N -1 1 382.472 1.522 20 0 GDADMM CN(C(=O)[C@H]1CCCC2(CC2)C1)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571214087 953099781 /nfs/dbraw/zinc/09/97/81/953099781.db2.gz WOSMIPCHWOBVNI-KBPBESRZSA-N -1 1 382.472 1.664 20 0 GDADMM CC1(C)CN(C(=O)C(C2CC2)C2CC2)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571214367 953102022 /nfs/dbraw/zinc/10/20/22/953102022.db2.gz XYIDJGLWWDXRGM-AWEZNQCLSA-N -1 1 382.472 1.742 20 0 GDADMM CC1(C)CN(C(=O)C(C2CC2)C2CC2)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571214367 953102024 /nfs/dbraw/zinc/10/20/24/953102024.db2.gz XYIDJGLWWDXRGM-AWEZNQCLSA-N -1 1 382.472 1.742 20 0 GDADMM C[C@]1(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571214466 953102576 /nfs/dbraw/zinc/10/25/76/953102576.db2.gz ZAPQWHCOIGUOGX-PJHJGJPPSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@]1(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571214466 953102581 /nfs/dbraw/zinc/10/25/81/953102581.db2.gz ZAPQWHCOIGUOGX-PJHJGJPPSA-N -1 1 382.472 1.568 20 0 GDADMM O=C(CC1CCCC1)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001571216883 953104579 /nfs/dbraw/zinc/10/45/79/953104579.db2.gz BMWFOGBSRJJPGN-KKUMJFAQSA-N -1 1 382.472 1.711 20 0 GDADMM O=C(CC1CCCC1)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001571216883 953104587 /nfs/dbraw/zinc/10/45/87/953104587.db2.gz BMWFOGBSRJJPGN-KKUMJFAQSA-N -1 1 382.472 1.711 20 0 GDADMM O=C(c1ccc(F)cn1)N1CCC(CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001571219192 953123137 /nfs/dbraw/zinc/12/31/37/953123137.db2.gz LRRHEUPQUMVFSP-UHFFFAOYSA-N -1 1 383.391 1.155 20 0 GDADMM O=C(c1ccc(F)cn1)N1CCC(CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001571219192 953123139 /nfs/dbraw/zinc/12/31/39/953123139.db2.gz LRRHEUPQUMVFSP-UHFFFAOYSA-N -1 1 383.391 1.155 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccncc2F)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571219143 953123368 /nfs/dbraw/zinc/12/33/68/953123368.db2.gz KFIKNKFJPNSQJV-GHMZBOCLSA-N -1 1 383.391 1.011 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccncc2F)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571219143 953123371 /nfs/dbraw/zinc/12/33/71/953123371.db2.gz KFIKNKFJPNSQJV-GHMZBOCLSA-N -1 1 383.391 1.011 20 0 GDADMM COc1ncc(NC(=O)NC[C@@H](O)[C@H](C)c2ccccc2)cc1-c1nn[n-]n1 ZINC001571219222 953124054 /nfs/dbraw/zinc/12/40/54/953124054.db2.gz MRTQOKMSNFKOPV-IAQYHMDHSA-N -1 1 383.412 1.556 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)C1CC2(CCC2)C1 ZINC001571219357 953125368 /nfs/dbraw/zinc/12/53/68/953125368.db2.gz XUGQMTBFUZIKGR-JSGCOSHPSA-N -1 1 382.472 1.934 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)C1CC2(CCC2)C1 ZINC001571219357 953125371 /nfs/dbraw/zinc/12/53/71/953125371.db2.gz XUGQMTBFUZIKGR-JSGCOSHPSA-N -1 1 382.472 1.934 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)C1CCC(C2CC2)CC1 ZINC001571219412 953126208 /nfs/dbraw/zinc/12/62/08/953126208.db2.gz ZLFPFYLMVLYMDG-LTDGRNPRSA-N -1 1 382.472 1.932 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)C1CCC(C2CC2)CC1 ZINC001571219412 953126210 /nfs/dbraw/zinc/12/62/10/953126210.db2.gz ZLFPFYLMVLYMDG-LTDGRNPRSA-N -1 1 382.472 1.932 20 0 GDADMM O=C(N[C@@H]1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)c1cncc(F)c1 ZINC001571219764 953127803 /nfs/dbraw/zinc/12/78/03/953127803.db2.gz SDEOIKBFEKTRER-ZWNOBZJWSA-N -1 1 383.391 1.201 20 0 GDADMM O=C(N[C@@H]1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)c1cncc(F)c1 ZINC001571219764 953127808 /nfs/dbraw/zinc/12/78/08/953127808.db2.gz SDEOIKBFEKTRER-ZWNOBZJWSA-N -1 1 383.391 1.201 20 0 GDADMM CC[C@@H]1CN(C(=O)c2ocnc2C)CC[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571223142 953141865 /nfs/dbraw/zinc/14/18/65/953141865.db2.gz OJGLCARSQVOKGG-NEPJUHHUSA-N -1 1 383.416 1.306 20 0 GDADMM CC[C@@H]1CN(C(=O)c2ocnc2C)CC[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571223142 953141868 /nfs/dbraw/zinc/14/18/68/953141868.db2.gz OJGLCARSQVOKGG-NEPJUHHUSA-N -1 1 383.416 1.306 20 0 GDADMM CCc1nc(C(=O)N2CC[C@@](C)(CNc3cnc(-c4nnn[n-]4)cn3)C2)co1 ZINC001571223171 953142510 /nfs/dbraw/zinc/14/25/10/953142510.db2.gz PERSTGBMHDULJI-KRWDZBQOSA-N -1 1 383.416 1.171 20 0 GDADMM CCc1nc(C(=O)N2CC[C@@](C)(CNc3cnc(-c4nn[n-]n4)cn3)C2)co1 ZINC001571223171 953142512 /nfs/dbraw/zinc/14/25/12/953142512.db2.gz PERSTGBMHDULJI-KRWDZBQOSA-N -1 1 383.416 1.171 20 0 GDADMM CCc1nc(N[C@H]2CCCN(C(=O)c3oncc3C)C2)cc(-c2nnn[n-]2)n1 ZINC001571223521 953144921 /nfs/dbraw/zinc/14/49/21/953144921.db2.gz TUJMBOJCISLMJO-NSHDSACASA-N -1 1 383.416 1.232 20 0 GDADMM CCc1nc(N[C@H]2CCCN(C(=O)c3oncc3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571223521 953144923 /nfs/dbraw/zinc/14/49/23/953144923.db2.gz TUJMBOJCISLMJO-NSHDSACASA-N -1 1 383.416 1.232 20 0 GDADMM Cc1nc(C)c(C(=O)N2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C(C)(C)C2)o1 ZINC001571224909 953151224 /nfs/dbraw/zinc/15/12/24/953151224.db2.gz GJPAONDDCJPGGU-GFCCVEGCSA-N -1 1 383.416 1.224 20 0 GDADMM Cc1nc(C)c(C(=O)N2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C(C)(C)C2)o1 ZINC001571224909 953151225 /nfs/dbraw/zinc/15/12/25/953151225.db2.gz GJPAONDDCJPGGU-GFCCVEGCSA-N -1 1 383.416 1.224 20 0 GDADMM Cc1ncoc1C(=O)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)[C@H](C)C1 ZINC001571225338 953152884 /nfs/dbraw/zinc/15/28/84/953152884.db2.gz JUKLUNIMIFFSDE-ZYHUDNBSSA-N -1 1 383.416 1.163 20 0 GDADMM Cc1ncoc1C(=O)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)[C@H](C)C1 ZINC001571225338 953152887 /nfs/dbraw/zinc/15/28/87/953152887.db2.gz JUKLUNIMIFFSDE-ZYHUDNBSSA-N -1 1 383.416 1.163 20 0 GDADMM COc1cccc(OC(F)(F)F)c1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC001571234969 953207533 /nfs/dbraw/zinc/20/75/33/953207533.db2.gz OGVZGCHKIVJHTP-UHFFFAOYSA-N -1 1 384.278 1.004 20 0 GDADMM CC(C)(C(=O)N1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001571235057 953208436 /nfs/dbraw/zinc/20/84/36/953208436.db2.gz REYVEJFMFNTHIH-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)(C(=O)N1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001571235057 953208438 /nfs/dbraw/zinc/20/84/38/953208438.db2.gz REYVEJFMFNTHIH-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001571235151 953209790 /nfs/dbraw/zinc/20/97/90/953209790.db2.gz VBEIAJFWHPIITO-ZJUUUORDSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001571235151 953209792 /nfs/dbraw/zinc/20/97/92/953209792.db2.gz VBEIAJFWHPIITO-ZJUUUORDSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@H]1CCN(C(=O)CC(F)(F)F)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571235158 953209798 /nfs/dbraw/zinc/20/97/98/953209798.db2.gz VGVNRSMKYLGLCZ-UWVGGRQHSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@H]1CCN(C(=O)CC(F)(F)F)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571235158 953209800 /nfs/dbraw/zinc/20/98/00/953209800.db2.gz VGVNRSMKYLGLCZ-UWVGGRQHSA-N -1 1 384.366 1.506 20 0 GDADMM CC(C)(C(=O)N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1)C(F)(F)F ZINC001571235207 953210333 /nfs/dbraw/zinc/21/03/33/953210333.db2.gz WYUKQCOVLQWYHZ-UHFFFAOYSA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)(C(=O)N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1)C(F)(F)F ZINC001571235207 953210334 /nfs/dbraw/zinc/21/03/34/953210334.db2.gz WYUKQCOVLQWYHZ-UHFFFAOYSA-N -1 1 384.366 1.648 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)CSc2ccc(C(F)(F)F)cn2)n1 ZINC001571235265 953210794 /nfs/dbraw/zinc/21/07/94/953210794.db2.gz YNZJZYLRKMWHGX-UHFFFAOYSA-N -1 1 384.347 1.745 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)CSc2ccc(C(F)(F)F)cn2)n1 ZINC001571235265 953210795 /nfs/dbraw/zinc/21/07/95/953210795.db2.gz YNZJZYLRKMWHGX-UHFFFAOYSA-N -1 1 384.347 1.745 20 0 GDADMM O=C(c1ncccc1[O-])N1CCC[C@H](Nc2ncc(-c3nn[nH]n3)cc2F)C1 ZINC001571236211 953216767 /nfs/dbraw/zinc/21/67/67/953216767.db2.gz VMOYMSKZUXDZHK-NSHDSACASA-N -1 1 384.375 1.218 20 0 GDADMM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCCCN1C(=O)C1=COCCC1 ZINC001571242073 953253336 /nfs/dbraw/zinc/25/33/36/953253336.db2.gz ATQYOEBQWGEDPP-WFASDCNBSA-N -1 1 384.444 1.533 20 0 GDADMM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCCCN1C(=O)C1=COCCC1 ZINC001571242073 953253339 /nfs/dbraw/zinc/25/33/39/953253339.db2.gz ATQYOEBQWGEDPP-WFASDCNBSA-N -1 1 384.444 1.533 20 0 GDADMM C[C@@H]1CN(C(=O)C2=COCCC2)C[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001571242757 953259704 /nfs/dbraw/zinc/25/97/04/953259704.db2.gz NIAGHPPIDQSEBO-CHWSQXEVSA-N -1 1 384.444 1.248 20 0 GDADMM C[C@@H]1CN(C(=O)C2=COCCC2)C[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001571242757 953259707 /nfs/dbraw/zinc/25/97/07/953259707.db2.gz NIAGHPPIDQSEBO-CHWSQXEVSA-N -1 1 384.444 1.248 20 0 GDADMM CCc1cccc(C(=O)N2CC[C@@H](Nc3snc(C)c3-c3nn[n-]n3)C2)n1 ZINC001571244661 953265605 /nfs/dbraw/zinc/26/56/05/953265605.db2.gz DEJOHLSOBHYFLP-GFCCVEGCSA-N -1 1 384.469 1.916 20 0 GDADMM Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)s1 ZINC001571244840 953267413 /nfs/dbraw/zinc/26/74/13/953267413.db2.gz KCDPQCOPPRSTJT-PWSUYJOCSA-N -1 1 384.469 1.847 20 0 GDADMM Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)s1 ZINC001571244840 953267415 /nfs/dbraw/zinc/26/74/15/953267415.db2.gz KCDPQCOPPRSTJT-PWSUYJOCSA-N -1 1 384.469 1.847 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1)c1cccs1 ZINC001571245084 953269788 /nfs/dbraw/zinc/26/97/88/953269788.db2.gz DHOVDIATVGIFPX-NEPJUHHUSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1)c1cccs1 ZINC001571245084 953269790 /nfs/dbraw/zinc/26/97/90/953269790.db2.gz DHOVDIATVGIFPX-NEPJUHHUSA-N -1 1 384.469 1.559 20 0 GDADMM Cc1csc(C(=O)NC[C@@H]2CCCCN2c2ccc(-c3nnn[n-]3)nn2)c1 ZINC001571245062 953270177 /nfs/dbraw/zinc/27/01/77/953270177.db2.gz NBSYITRYYUEXBI-LBPRGKRZSA-N -1 1 384.469 1.816 20 0 GDADMM Cc1csc(C(=O)NC[C@@H]2CCCCN2c2ccc(-c3nn[n-]n3)nn2)c1 ZINC001571245062 953270179 /nfs/dbraw/zinc/27/01/79/953270179.db2.gz NBSYITRYYUEXBI-LBPRGKRZSA-N -1 1 384.469 1.816 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001571245430 953273669 /nfs/dbraw/zinc/27/36/69/953273669.db2.gz IGRUGIAATHRQNP-VXGBXAGGSA-N -1 1 384.469 1.347 20 0 GDADMM Cc1cscc1C(=O)N1C[C@@H](C)[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571245501 953273776 /nfs/dbraw/zinc/27/37/76/953273776.db2.gz SQNWTOWEHFRWGT-PWSUYJOCSA-N -1 1 384.469 1.847 20 0 GDADMM Cc1cscc1C(=O)N1C[C@@H](C)[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571245501 953273778 /nfs/dbraw/zinc/27/37/78/953273778.db2.gz SQNWTOWEHFRWGT-PWSUYJOCSA-N -1 1 384.469 1.847 20 0 GDADMM Cc1cc(C(=O)NC[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)c(C)s1 ZINC001571245549 953274435 /nfs/dbraw/zinc/27/44/35/953274435.db2.gz VFJRKNVRSLIDGY-LBPRGKRZSA-N -1 1 384.469 1.591 20 0 GDADMM Cc1cc(C(=O)NC[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)c(C)s1 ZINC001571245549 953274437 /nfs/dbraw/zinc/27/44/37/953274437.db2.gz VFJRKNVRSLIDGY-LBPRGKRZSA-N -1 1 384.469 1.591 20 0 GDADMM Cc1ccc(CC(=O)N2CCC(Nc3nccnc3-c3nnn[n-]3)CC2)s1 ZINC001571245819 953276725 /nfs/dbraw/zinc/27/67/25/953276725.db2.gz ZMNSPRCWTXHCKD-UHFFFAOYSA-N -1 1 384.469 1.672 20 0 GDADMM Cc1ccc(CC(=O)N2CCC(Nc3nccnc3-c3nn[n-]n3)CC2)s1 ZINC001571245819 953276727 /nfs/dbraw/zinc/27/67/27/953276727.db2.gz ZMNSPRCWTXHCKD-UHFFFAOYSA-N -1 1 384.469 1.672 20 0 GDADMM C[C@@H](C(=O)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)c1ccsc1 ZINC001571246049 953279426 /nfs/dbraw/zinc/27/94/26/953279426.db2.gz RGRHUACNKOSQAF-GFCCVEGCSA-N -1 1 384.469 1.561 20 0 GDADMM C[C@@H](C(=O)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)c1ccsc1 ZINC001571246049 953279431 /nfs/dbraw/zinc/27/94/31/953279431.db2.gz RGRHUACNKOSQAF-GFCCVEGCSA-N -1 1 384.469 1.561 20 0 GDADMM C[C@H](CC1CCCCC1)C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571249135 953301329 /nfs/dbraw/zinc/30/13/29/953301329.db2.gz DQVPUKURKKGPMT-UKRRQHHQSA-N -1 1 384.488 1.698 20 0 GDADMM O=C(C1=COCCC1)N1CCCCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571251791 953319815 /nfs/dbraw/zinc/31/98/15/953319815.db2.gz XENUDBDAQYVRNY-CQSZACIVSA-N -1 1 384.444 1.534 20 0 GDADMM O=C(C1=COCCC1)N1CCCCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571251791 953319822 /nfs/dbraw/zinc/31/98/22/953319822.db2.gz XENUDBDAQYVRNY-CQSZACIVSA-N -1 1 384.444 1.534 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@H]3CC[C@@H](C2)N3C(=O)C(C)(C)CC)n1 ZINC001571251955 953322120 /nfs/dbraw/zinc/32/21/20/953322120.db2.gz CLQZRFCUQYGCAE-BETUJISGSA-N -1 1 384.488 1.835 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2C[C@H]3CC[C@@H](C2)N3C(=O)C(C)(C)CC)n1 ZINC001571251955 953322123 /nfs/dbraw/zinc/32/21/23/953322123.db2.gz CLQZRFCUQYGCAE-BETUJISGSA-N -1 1 384.488 1.835 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@H]([C@@H]3CCCN(C(C)=O)C3)C2)n1 ZINC001571252013 953322242 /nfs/dbraw/zinc/32/22/42/953322242.db2.gz FIIKEYFHPVZVSR-CABCVRRESA-N -1 1 384.488 1.694 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@H]([C@@H]3CCCN(C(C)=O)C3)C2)n1 ZINC001571252013 953322244 /nfs/dbraw/zinc/32/22/44/953322244.db2.gz FIIKEYFHPVZVSR-CABCVRRESA-N -1 1 384.488 1.694 20 0 GDADMM CCc1nc(N[C@@H]2CC[C@H](CNC(=O)[C@H]3CC3(C)C)C2)cc(-c2nnn[n-]2)n1 ZINC001571252391 953327794 /nfs/dbraw/zinc/32/77/94/953327794.db2.gz MAMBNXXMOQOCEJ-YNEHKIRRSA-N -1 1 384.488 1.962 20 0 GDADMM CCc1nc(N[C@@H]2CC[C@H](CNC(=O)[C@H]3CC3(C)C)C2)cc(-c2nn[n-]n2)n1 ZINC001571252391 953327800 /nfs/dbraw/zinc/32/78/00/953327800.db2.gz MAMBNXXMOQOCEJ-YNEHKIRRSA-N -1 1 384.488 1.962 20 0 GDADMM C[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1NC(=O)C1CCCCCCC1 ZINC001571252570 953330095 /nfs/dbraw/zinc/33/00/95/953330095.db2.gz QFFULNVKFRCPRR-CZUORRHYSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1NC(=O)C1CCCCCCC1 ZINC001571252570 953330101 /nfs/dbraw/zinc/33/01/01/953330101.db2.gz QFFULNVKFRCPRR-CZUORRHYSA-N -1 1 384.488 1.958 20 0 GDADMM CN(C[C@@H]1CCCN(C(=O)CCC2CCC2)C1)c1nccnc1-c1nnn[n-]1 ZINC001571252586 953331126 /nfs/dbraw/zinc/33/11/26/953331126.db2.gz QNAUWFFQZPXPAF-HNNXBMFYSA-N -1 1 384.488 1.912 20 0 GDADMM CN(C[C@@H]1CCCN(C(=O)CCC2CCC2)C1)c1nccnc1-c1nn[n-]n1 ZINC001571252586 953331128 /nfs/dbraw/zinc/33/11/28/953331128.db2.gz QNAUWFFQZPXPAF-HNNXBMFYSA-N -1 1 384.488 1.912 20 0 GDADMM CC[C@H]1CC[C@H](C(=O)N[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001571252911 953334363 /nfs/dbraw/zinc/33/43/63/953334363.db2.gz YTRVTZJSXKYQDA-KKUMJFAQSA-N -1 1 384.488 1.958 20 0 GDADMM CC[C@H]1CC[C@H](C(=O)N[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001571252911 953334366 /nfs/dbraw/zinc/33/43/66/953334366.db2.gz YTRVTZJSXKYQDA-KKUMJFAQSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CN(c2ccnc(-c3nn[n-]n3)n2)CC[C@@H]1NC(=O)c1cc(F)c[nH]1 ZINC001571254833 953342930 /nfs/dbraw/zinc/34/29/30/953342930.db2.gz KOUORKSFNIHBBH-LBPRGKRZSA-N -1 1 385.407 1.159 20 0 GDADMM C[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1NC(=O)c1ccccc1Cl ZINC001571255085 953345064 /nfs/dbraw/zinc/34/50/64/953345064.db2.gz HQIHOMKZESCKHV-QMTHXVAHSA-N -1 1 384.831 1.565 20 0 GDADMM C[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)c1ccccc1Cl ZINC001571255085 953345070 /nfs/dbraw/zinc/34/50/70/953345070.db2.gz HQIHOMKZESCKHV-QMTHXVAHSA-N -1 1 384.831 1.565 20 0 GDADMM Cc1cc(Cl)ccc1C(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571255906 953357832 /nfs/dbraw/zinc/35/78/32/953357832.db2.gz RITYCCJSKOMTTR-UHFFFAOYSA-N -1 1 384.831 1.581 20 0 GDADMM Cc1cc(Cl)ccc1C(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571255906 953357838 /nfs/dbraw/zinc/35/78/38/953357838.db2.gz RITYCCJSKOMTTR-UHFFFAOYSA-N -1 1 384.831 1.581 20 0 GDADMM COc1cccc(NC(=O)CN(C)C(=O)CN2C[C@@H](C(=O)[O-])CC[C@@H]2C)c1 ZINC000571560952 953663486 /nfs/dbraw/zinc/66/34/86/953663486.db2.gz JQWSNBHOAFJZOQ-KBPBESRZSA-N -1 1 377.441 1.277 20 0 GDADMM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O ZINC001594788821 953683698 /nfs/dbraw/zinc/68/36/98/953683698.db2.gz CQTVYPQQYAYXKT-OCCSQVGLSA-N -1 1 382.438 1.160 20 0 GDADMM CCn1cc(-c2[nH]ncc2C(=O)N2C[C@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)cn1 ZINC001593664656 953819723 /nfs/dbraw/zinc/81/97/23/953819723.db2.gz IKTDJVWQKKISEO-CHWSQXEVSA-N -1 1 397.439 1.357 20 0 GDADMM CCn1cc(-c2[nH]ncc2C(=O)N2C[C@H](C(=O)[O-])C[C@H](c3cnn(C)c3)C2)cn1 ZINC001593664660 953820030 /nfs/dbraw/zinc/82/00/30/953820030.db2.gz IKTDJVWQKKISEO-QWHCGFSZSA-N -1 1 397.439 1.357 20 0 GDADMM CC(C)[C@H](CNC(=O)NCCCN1CCN(c2ccccc2)CC1)C(=O)[O-] ZINC000655861859 954244979 /nfs/dbraw/zinc/24/49/79/954244979.db2.gz TYTGNWATDBRBDD-SFHVURJKSA-N -1 1 376.501 1.855 20 0 GDADMM C[C@@H]1CN(C(=O)c2[nH]nc3c2CN(C(=O)OC(C)(C)C)CC3)CC[C@H]1C(=O)[O-] ZINC001589391510 954326603 /nfs/dbraw/zinc/32/66/03/954326603.db2.gz CBCWETHJXUPFAB-VXGBXAGGSA-N -1 1 392.456 1.886 20 0 GDADMM O=C([O-])C1(CNC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CCC1 ZINC000659420283 954344184 /nfs/dbraw/zinc/34/41/84/954344184.db2.gz CKMVWQMVYBIVJM-IAGOWNOFSA-N -1 1 375.469 1.424 20 0 GDADMM C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000662225246 954395166 /nfs/dbraw/zinc/39/51/66/954395166.db2.gz YTUPWCCHDVMLQJ-MAUKXSAKSA-N -1 1 395.463 1.198 20 0 GDADMM CO[C@@](C)(C(=O)[O-])C(=O)Nc1ccc(NC(=O)CN2CCCCCC2)cc1 ZINC000663109218 954498529 /nfs/dbraw/zinc/49/85/29/954498529.db2.gz WSCMQYOVACIXFI-LJQANCHMSA-N -1 1 377.441 1.929 20 0 GDADMM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1onc2ccccc21 ZINC001594894854 954558226 /nfs/dbraw/zinc/55/82/26/954558226.db2.gz AKBVVAIKZKFZRM-QWRGUYRKSA-N -1 1 385.298 1.564 20 0 GDADMM O=C([O-])C1CCC(O)(CN2C[C@@H]3[C@](C(F)(F)F)(C2)CCCS3(=O)=O)CC1 ZINC001594911729 954709653 /nfs/dbraw/zinc/70/96/53/954709653.db2.gz DPCQLTSMRWITIP-HTLISINNSA-N -1 1 399.431 1.434 20 0 GDADMM O=C([O-])[C@H]1CCCN(c2ccc(CNC[C@@H]3COC4(CCOCC4)O3)o2)C1 ZINC001594917525 954770794 /nfs/dbraw/zinc/77/07/94/954770794.db2.gz OQKVFNYHVUTOJK-GOEBONIOSA-N -1 1 380.441 1.592 20 0 GDADMM O=C([O-])[C@H]1CN(C[C@H](O)Cn2c(=O)onc2-c2ccccc2)Cc2ccccc21 ZINC001594953148 954964904 /nfs/dbraw/zinc/96/49/04/954964904.db2.gz BOIODVSCTYWIFL-WMZOPIPTSA-N -1 1 395.415 1.548 20 0 GDADMM COC(=O)C1CC2(C1)CN(C(=O)c1cc(-c3ccccc3)[nH]n1)C[C@@H]2C(=O)[O-] 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20 0 GDADMM O=C(NCCNc1c2ccccc2nnc1-c1nn[n-]n1)c1ccccc1F ZINC000738076235 598962446 /nfs/dbraw/zinc/96/24/46/598962446.db2.gz WJEYOHDKQIVFFN-UHFFFAOYSA-N -1 1 378.371 1.791 20 0 GDADMM Cc1nc(C)n(C[C@H]2CCCN(c3c4ccccc4nnc3-c3nnn[n-]3)C2)n1 ZINC000737473879 598967404 /nfs/dbraw/zinc/96/74/04/598967404.db2.gz IIJRJPJUIADLQI-AWEZNQCLSA-N -1 1 390.455 1.935 20 0 GDADMM Cc1nc(C)n(C[C@H]2CCCN(c3c4ccccc4nnc3-c3nn[n-]n3)C2)n1 ZINC000737473879 598967405 /nfs/dbraw/zinc/96/74/05/598967405.db2.gz IIJRJPJUIADLQI-AWEZNQCLSA-N -1 1 390.455 1.935 20 0 GDADMM Cc1nc(C)n(C[C@@H]2CCCN(c3c4ccccc4nnc3-c3nnn[n-]3)C2)n1 ZINC000737473881 598967562 /nfs/dbraw/zinc/96/75/62/598967562.db2.gz IIJRJPJUIADLQI-CQSZACIVSA-N -1 1 390.455 1.935 20 0 GDADMM Cc1nc(C)n(C[C@@H]2CCCN(c3c4ccccc4nnc3-c3nn[n-]n3)C2)n1 ZINC000737473881 598967564 /nfs/dbraw/zinc/96/75/64/598967564.db2.gz IIJRJPJUIADLQI-CQSZACIVSA-N -1 1 390.455 1.935 20 0 GDADMM COC(=O)c1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc(C(=O)OC)c1 ZINC000736949112 598979251 /nfs/dbraw/zinc/97/92/51/598979251.db2.gz BUNCRLOJDTTWFU-UHFFFAOYSA-N -1 1 382.336 1.087 20 0 GDADMM COC(=O)c1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc(C(=O)OC)c1 ZINC000736949112 598979253 /nfs/dbraw/zinc/97/92/53/598979253.db2.gz BUNCRLOJDTTWFU-UHFFFAOYSA-N -1 1 382.336 1.087 20 0 GDADMM O=C(NCCCCN1C(=O)c2ccccc2C1=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738055237 599006303 /nfs/dbraw/zinc/00/63/03/599006303.db2.gz WNKCYCXWWGPRBQ-UHFFFAOYSA-N -1 1 391.391 1.068 20 0 GDADMM O=C(NCCCCN1C(=O)c2ccccc2C1=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738055237 599006305 /nfs/dbraw/zinc/00/63/05/599006305.db2.gz WNKCYCXWWGPRBQ-UHFFFAOYSA-N -1 1 391.391 1.068 20 0 GDADMM COC(=O)CCCOc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736913285 599007157 /nfs/dbraw/zinc/00/71/57/599007157.db2.gz MKHJOMJQHBWNIH-UHFFFAOYSA-N -1 1 396.407 1.524 20 0 GDADMM COC(=O)CCCOc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736913285 599007160 /nfs/dbraw/zinc/00/71/60/599007160.db2.gz MKHJOMJQHBWNIH-UHFFFAOYSA-N -1 1 396.407 1.524 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC[C@@](C)(O)c2ccsc2)cc1-c1nn[n-]n1 ZINC000737187412 599015626 /nfs/dbraw/zinc/01/56/26/599015626.db2.gz RLUDUXRTFUERNJ-OAHLLOKOSA-N -1 1 392.466 1.388 20 0 GDADMM O=C(N[C@@H](CN1CCCC1=O)c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000737996110 599025778 /nfs/dbraw/zinc/02/57/78/599025778.db2.gz OKQGRCAJDKYQGO-INIZCTEOSA-N -1 1 377.408 1.355 20 0 GDADMM O=C(N[C@@H](CN1CCCC1=O)c1ccccc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000737996110 599025780 /nfs/dbraw/zinc/02/57/80/599025780.db2.gz OKQGRCAJDKYQGO-INIZCTEOSA-N -1 1 377.408 1.355 20 0 GDADMM CN(CCOc1ccccc1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000736802383 599030703 /nfs/dbraw/zinc/03/07/03/599030703.db2.gz RHRQHKXSRKELHO-UHFFFAOYSA-N -1 1 377.401 1.705 20 0 GDADMM CN(CCOc1ccccc1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000736802383 599030706 /nfs/dbraw/zinc/03/07/06/599030706.db2.gz RHRQHKXSRKELHO-UHFFFAOYSA-N -1 1 377.401 1.705 20 0 GDADMM CC(C)N1C(=S)N=NC1[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000735953748 599030764 /nfs/dbraw/zinc/03/07/64/599030764.db2.gz JXONTQPMVLYCIR-GFCCVEGCSA-N -1 1 399.484 1.743 20 0 GDADMM CC(C)N1C(=S)N=NC1[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000735953748 599030766 /nfs/dbraw/zinc/03/07/66/599030766.db2.gz JXONTQPMVLYCIR-GFCCVEGCSA-N -1 1 399.484 1.743 20 0 GDADMM CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735690823 599032712 /nfs/dbraw/zinc/03/27/12/599032712.db2.gz BSHMKTHPJXDSIR-GOSISDBHSA-N -1 1 389.460 1.931 20 0 GDADMM CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735690823 599032714 /nfs/dbraw/zinc/03/27/14/599032714.db2.gz BSHMKTHPJXDSIR-GOSISDBHSA-N -1 1 389.460 1.931 20 0 GDADMM CN(C(=O)c1ccc(-c2nnn[n-]2)nc1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000736749766 599033485 /nfs/dbraw/zinc/03/34/85/599033485.db2.gz RKCXNGWEBISZQQ-HNNXBMFYSA-N -1 1 381.371 1.278 20 0 GDADMM CN(C(=O)c1ccc(-c2nn[n-]n2)nc1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000736749766 599033488 /nfs/dbraw/zinc/03/34/88/599033488.db2.gz RKCXNGWEBISZQQ-HNNXBMFYSA-N -1 1 381.371 1.278 20 0 GDADMM CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC000821170188 599062088 /nfs/dbraw/zinc/06/20/88/599062088.db2.gz NHWDSFOJCVYYHE-SNVBAGLBSA-N -1 1 384.366 1.284 20 0 GDADMM CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC000821170188 599062090 /nfs/dbraw/zinc/06/20/90/599062090.db2.gz NHWDSFOJCVYYHE-SNVBAGLBSA-N -1 1 384.366 1.284 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000820774544 599085066 /nfs/dbraw/zinc/08/50/66/599085066.db2.gz FPWGXDITANOJOU-GFCCVEGCSA-N -1 1 398.858 1.590 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000820774544 599085068 /nfs/dbraw/zinc/08/50/68/599085068.db2.gz FPWGXDITANOJOU-GFCCVEGCSA-N -1 1 398.858 1.590 20 0 GDADMM CC[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1cccc(Cl)c1 ZINC000820927097 599095878 /nfs/dbraw/zinc/09/58/78/599095878.db2.gz YXWFGGCLGPPKNL-NSHDSACASA-N -1 1 375.820 1.481 20 0 GDADMM C[C@H]1C[C@H](Nc2cc(-c3nnn[n-]3)nc3ccccc32)C(=O)N1c1cnn(C)c1 ZINC000820667902 599098203 /nfs/dbraw/zinc/09/82/03/599098203.db2.gz OSAICRUYEVHXSR-GTNSWQLSSA-N -1 1 389.423 1.176 20 0 GDADMM C[C@H]1C[C@H](Nc2cc(-c3nn[n-]n3)nc3ccccc32)C(=O)N1c1cnn(C)c1 ZINC000820667902 599098206 /nfs/dbraw/zinc/09/82/06/599098206.db2.gz OSAICRUYEVHXSR-GTNSWQLSSA-N -1 1 389.423 1.176 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000738258193 599110219 /nfs/dbraw/zinc/11/02/19/599110219.db2.gz HPLKYGFYFVUQKU-QGZVFWFLSA-N -1 1 382.399 1.987 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000738258193 599110221 /nfs/dbraw/zinc/11/02/21/599110221.db2.gz HPLKYGFYFVUQKU-QGZVFWFLSA-N -1 1 382.399 1.987 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N1CCCc2ccccc21 ZINC000736156929 599132145 /nfs/dbraw/zinc/13/21/45/599132145.db2.gz GDXLBMZAHSIHHC-GFCCVEGCSA-N -1 1 378.392 1.786 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N1CCCc2ccccc21 ZINC000736156929 599132147 /nfs/dbraw/zinc/13/21/47/599132147.db2.gz GDXLBMZAHSIHHC-GFCCVEGCSA-N -1 1 378.392 1.786 20 0 GDADMM COc1ccc(NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1OC ZINC000737102860 599138640 /nfs/dbraw/zinc/13/86/40/599138640.db2.gz PLSFSOZFJJLZOB-UHFFFAOYSA-N -1 1 384.352 1.074 20 0 GDADMM COc1ccc(NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1OC ZINC000737102860 599138643 /nfs/dbraw/zinc/13/86/43/599138643.db2.gz PLSFSOZFJJLZOB-UHFFFAOYSA-N -1 1 384.352 1.074 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000822534845 599207218 /nfs/dbraw/zinc/20/72/18/599207218.db2.gz APOKFOMRRXKDQV-UHTWSYAYSA-N -1 1 395.423 1.298 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000822534845 599207221 /nfs/dbraw/zinc/20/72/21/599207221.db2.gz APOKFOMRRXKDQV-UHTWSYAYSA-N -1 1 395.423 1.298 20 0 GDADMM Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)n(-c2ccncc2)n1 ZINC000822209672 599233800 /nfs/dbraw/zinc/23/38/00/599233800.db2.gz RGUBCDFNARSJRI-UHFFFAOYSA-N -1 1 382.409 1.557 20 0 GDADMM Cc1ccncc1C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000737446458 599239513 /nfs/dbraw/zinc/23/95/13/599239513.db2.gz WPMDIOVUBVZGTH-UHFFFAOYSA-N -1 1 380.412 1.398 20 0 GDADMM O=C([O-])C[C@@H]1CCCN(CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000610897004 597082923 /nfs/dbraw/zinc/08/29/23/597082923.db2.gz SEQDANGHZJXZCJ-LBPRGKRZSA-N -1 1 377.397 1.293 20 0 GDADMM CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)CSCC(=O)[O-])CC1 ZINC000564964581 597090742 /nfs/dbraw/zinc/09/07/42/597090742.db2.gz BFMFVWDWBNBPCO-CYBMUJFWSA-N -1 1 383.489 1.963 20 0 GDADMM O=C([O-])[C@@H]1CC(C(=O)N2CCN(C3CCOCC3)CC2)=NN1c1ccccc1 ZINC000819225111 597442865 /nfs/dbraw/zinc/44/28/65/597442865.db2.gz JCKNOTAGXWAPOI-SFHVURJKSA-N -1 1 386.452 1.029 20 0 GDADMM C[C@@H]1CN(Cc2ccc(CNC(=O)N3CC[C@@H](C(=O)[O-])C3)cc2)C[C@@H](C)O1 ZINC000818112694 597507133 /nfs/dbraw/zinc/50/71/33/597507133.db2.gz HTFZPKVFRRNLPT-IIDMSEBBSA-N -1 1 375.469 1.912 20 0 GDADMM CCN1CCN(c2ccc(Cl)cc2NC(=O)C(=O)N[C@H](C)C(=O)[O-])CC1 ZINC000659065233 597519263 /nfs/dbraw/zinc/51/92/63/597519263.db2.gz SPXKHNBCANDDPA-LLVKDONJSA-N -1 1 382.848 1.010 20 0 GDADMM CN(C)c1cccc([C@@H]2CCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736781009 599273048 /nfs/dbraw/zinc/27/30/48/599273048.db2.gz UGIGTZKBLNCFOJ-KRWDZBQOSA-N -1 1 399.480 1.854 20 0 GDADMM CN(C)c1cccc([C@@H]2CCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736781009 599273051 /nfs/dbraw/zinc/27/30/51/599273051.db2.gz UGIGTZKBLNCFOJ-KRWDZBQOSA-N -1 1 399.480 1.854 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCS[C@H](c2ccccc2)C1 ZINC000738355247 599275438 /nfs/dbraw/zinc/27/54/38/599275438.db2.gz LTXBSIGQIWJPFR-HNNXBMFYSA-N -1 1 388.478 1.741 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCS[C@H](c2ccccc2)C1 ZINC000738355247 599275440 /nfs/dbraw/zinc/27/54/40/599275440.db2.gz LTXBSIGQIWJPFR-HNNXBMFYSA-N -1 1 388.478 1.741 20 0 GDADMM Cc1cc(C)cc(OCC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)CC2)c1 ZINC000822197722 607322022 /nfs/dbraw/zinc/32/20/22/607322022.db2.gz MPYRGXQHXJGGBP-UHFFFAOYSA-N -1 1 394.439 1.001 20 0 GDADMM Cc1cc(C)cc(OCC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)CC2)c1 ZINC000822197722 607322023 /nfs/dbraw/zinc/32/20/23/607322023.db2.gz MPYRGXQHXJGGBP-UHFFFAOYSA-N -1 1 394.439 1.001 20 0 GDADMM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000821669283 607327953 /nfs/dbraw/zinc/32/79/53/607327953.db2.gz DUZIAWHNPHVDBE-UHFFFAOYSA-N -1 1 395.347 1.732 20 0 GDADMM CCN(CC)CCN(C(=O)c1cccc(C(=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000820338724 598148667 /nfs/dbraw/zinc/14/86/67/598148667.db2.gz QBZHNLQHTOTVPI-INIZCTEOSA-N -1 1 382.482 1.356 20 0 GDADMM O=C([O-])CCNC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O ZINC000821524963 598212443 /nfs/dbraw/zinc/21/24/43/598212443.db2.gz KKCVCOHLQACGSN-UHFFFAOYSA-N -1 1 378.406 1.075 20 0 GDADMM Cc1ncsc1CNC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000737504057 598235763 /nfs/dbraw/zinc/23/57/63/598235763.db2.gz UKWBYYZULNEDIG-UHFFFAOYSA-N -1 1 397.468 1.540 20 0 GDADMM Cc1ncsc1CNC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000737504057 598235764 /nfs/dbraw/zinc/23/57/64/598235764.db2.gz UKWBYYZULNEDIG-UHFFFAOYSA-N -1 1 397.468 1.540 20 0 GDADMM C[C@@H](CC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1)n1cccc1 ZINC000735978099 598258730 /nfs/dbraw/zinc/25/87/30/598258730.db2.gz YOIIEDJSYLVVDQ-ZDUSSCGKSA-N -1 1 396.455 1.834 20 0 GDADMM CCc1cc(=O)oc2cc(OS(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)ccc12 ZINC000736678752 598259303 /nfs/dbraw/zinc/25/93/03/598259303.db2.gz HRLRTQGIWYFBFR-UHFFFAOYSA-N -1 1 399.388 1.698 20 0 GDADMM CCc1cc(=O)oc2cc(OS(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)ccc12 ZINC000736678752 598259304 /nfs/dbraw/zinc/25/93/04/598259304.db2.gz HRLRTQGIWYFBFR-UHFFFAOYSA-N -1 1 399.388 1.698 20 0 GDADMM COC(=O)Nc1cccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736940120 598265605 /nfs/dbraw/zinc/26/56/05/598265605.db2.gz ONMZFHGHJPMZFE-UHFFFAOYSA-N -1 1 376.354 1.208 20 0 GDADMM COC(=O)Nc1cccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736940120 598265607 /nfs/dbraw/zinc/26/56/07/598265607.db2.gz ONMZFHGHJPMZFE-UHFFFAOYSA-N -1 1 376.354 1.208 20 0 GDADMM COc1ccc(CC[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737089273 598268741 /nfs/dbraw/zinc/26/87/41/598268741.db2.gz WTEGRZXLWJVAAR-LBPRGKRZSA-N -1 1 388.453 1.570 20 0 GDADMM COc1ccc(CC[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737089273 598268742 /nfs/dbraw/zinc/26/87/42/598268742.db2.gz WTEGRZXLWJVAAR-LBPRGKRZSA-N -1 1 388.453 1.570 20 0 GDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000737775846 598287077 /nfs/dbraw/zinc/28/70/77/598287077.db2.gz GGAVFLWTBPKJDU-UHFFFAOYSA-N -1 1 396.392 1.381 20 0 GDADMM Cc1nc(-c2nn[n-]n2)c(NNC(=S)NCCCN(C)c2ccccc2)o1 ZINC000737468098 598322422 /nfs/dbraw/zinc/32/24/22/598322422.db2.gz YTWXBOXXFCJGOC-UHFFFAOYSA-N -1 1 387.473 1.481 20 0 GDADMM CCc1nn(C[C@@H](O)COc2ccc(C)cc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705647 598373981 /nfs/dbraw/zinc/37/39/81/598373981.db2.gz MPDUVCZDQBLSTL-CYBMUJFWSA-N -1 1 384.440 1.297 20 0 GDADMM CCc1nn(CC(=O)N2CCc3ccccc32)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706454 598378026 /nfs/dbraw/zinc/37/80/26/598378026.db2.gz WRMPPVBRILPPQV-UHFFFAOYSA-N -1 1 379.424 1.138 20 0 GDADMM CCc1nn(CC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736704938 598379074 /nfs/dbraw/zinc/37/90/74/598379074.db2.gz AOMPLPRGHINDCE-YWPYICTPSA-N -1 1 387.488 1.489 20 0 GDADMM [O-]C(=Cc1csc(Cc2ccccc2)n1)[NH+]=c1cc[nH]cc1-c1nn[n-]n1 ZINC000737978259 598380633 /nfs/dbraw/zinc/38/06/33/598380633.db2.gz QVIBPMYHZLWXPG-UHFFFAOYSA-N -1 1 377.433 1.912 20 0 GDADMM NC(=O)[C@@H]1CCN(C(=O)c2ccc(Oc3cccc(F)c3-c3nnn[n-]3)cc2)C1 ZINC000737742018 598400685 /nfs/dbraw/zinc/40/06/85/598400685.db2.gz DQTWZVJLQJWRRT-GFCCVEGCSA-N -1 1 396.382 1.746 20 0 GDADMM NC(=O)[C@@H]1CCN(C(=O)c2ccc(Oc3cccc(F)c3-c3nn[n-]n3)cc2)C1 ZINC000737742018 598400686 /nfs/dbraw/zinc/40/06/86/598400686.db2.gz DQTWZVJLQJWRRT-GFCCVEGCSA-N -1 1 396.382 1.746 20 0 GDADMM COC(=O)[C@H]1CCCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)C1 ZINC000736909167 598420758 /nfs/dbraw/zinc/42/07/58/598420758.db2.gz ICEGSGVIRPAINA-LBPRGKRZSA-N -1 1 384.396 1.584 20 0 GDADMM COC(=O)[C@H]1CCCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)C1 ZINC000736909167 598420759 /nfs/dbraw/zinc/42/07/59/598420759.db2.gz ICEGSGVIRPAINA-LBPRGKRZSA-N -1 1 384.396 1.584 20 0 GDADMM COC(=O)[C@H]1C[C@@H]1C(=O)OCc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000736910625 598474433 /nfs/dbraw/zinc/47/44/33/598474433.db2.gz PWGRSPJHEQDZAV-STQMWFEESA-N -1 1 382.380 1.213 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000737198700 598501815 /nfs/dbraw/zinc/50/18/15/598501815.db2.gz CLSVIZNWUWBOII-CYBMUJFWSA-N -1 1 396.455 1.646 20 0 GDADMM CCc1nn(CC(=O)Nc2ccc(C)c(F)c2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705580 598640388 /nfs/dbraw/zinc/64/03/88/598640388.db2.gz KUSQBPXAJDWJQZ-UHFFFAOYSA-N -1 1 385.403 1.634 20 0 GDADMM CCc1nn(Cc2nccn2Cc2ccccc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706432 598643905 /nfs/dbraw/zinc/64/39/05/598643905.db2.gz LMSNDZCUEYKNKL-UHFFFAOYSA-N -1 1 390.451 1.841 20 0 GDADMM C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c2ccccc2O1 ZINC000736290132 598674987 /nfs/dbraw/zinc/67/49/87/598674987.db2.gz OOHHVFRNSNVCRH-SNVBAGLBSA-N -1 1 375.385 1.982 20 0 GDADMM O=S(=O)([N-]c1ccc(OCCO)cc1)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000738342215 598676159 /nfs/dbraw/zinc/67/61/59/598676159.db2.gz OQSUUWLUBSIMSF-UHFFFAOYSA-N -1 1 395.828 1.692 20 0 GDADMM CNC(=O)c1ccc(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000736878474 598690387 /nfs/dbraw/zinc/69/03/87/598690387.db2.gz UWFGYQTXDUDQHL-UHFFFAOYSA-N -1 1 377.357 1.133 20 0 GDADMM CNC(=O)[C@@H]1CCCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)C1 ZINC000736869047 598694469 /nfs/dbraw/zinc/69/44/69/598694469.db2.gz ARVKJLQJRUPWBM-GFCCVEGCSA-N -1 1 383.412 1.157 20 0 GDADMM CNC(=O)[C@@H]1CCCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)C1 ZINC000736869047 598694470 /nfs/dbraw/zinc/69/44/70/598694470.db2.gz ARVKJLQJRUPWBM-GFCCVEGCSA-N -1 1 383.412 1.157 20 0 GDADMM Cc1noc(Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Br)ccc32)n1 ZINC000737544751 598723123 /nfs/dbraw/zinc/72/31/23/598723123.db2.gz AEWQKBPJYFZRKQ-UHFFFAOYSA-N -1 1 388.185 1.684 20 0 GDADMM CCOC(=O)N(C)CCOC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000736598354 598740129 /nfs/dbraw/zinc/74/01/29/598740129.db2.gz BYSCWFNSRYCMTC-UHFFFAOYSA-N -1 1 392.416 1.148 20 0 GDADMM CCSc1ccc([C@H](C)Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1 ZINC000736664635 598755471 /nfs/dbraw/zinc/75/54/71/598755471.db2.gz BLXDUFMJRDFZLO-JTQLQIEISA-N -1 1 387.469 1.549 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N(CCO)Cc1cccnc1 ZINC000822535328 607366459 /nfs/dbraw/zinc/36/64/59/607366459.db2.gz NLGMVDHJMBVCQP-UHFFFAOYSA-N -1 1 393.407 1.589 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N(CCO)Cc1cccnc1 ZINC000822535328 607366461 /nfs/dbraw/zinc/36/64/61/607366461.db2.gz NLGMVDHJMBVCQP-UHFFFAOYSA-N -1 1 393.407 1.589 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)Nc2ccc(C(N)=O)c(C)c2)cc1-c1nn[n-]n1 ZINC000737188041 598777877 /nfs/dbraw/zinc/77/78/77/598777877.db2.gz WMRQORLPDSCCKL-UHFFFAOYSA-N -1 1 385.409 1.349 20 0 GDADMM CN(CCc1ccccn1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000736805467 599333472 /nfs/dbraw/zinc/33/34/72/599333472.db2.gz FOGJIUOKFDNDFR-UHFFFAOYSA-N -1 1 378.845 1.778 20 0 GDADMM CCCC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000821001118 599342020 /nfs/dbraw/zinc/34/20/20/599342020.db2.gz OUUFUOVOUVJBIP-LLVKDONJSA-N -1 1 396.448 1.075 20 0 GDADMM CCCC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000821001118 599342023 /nfs/dbraw/zinc/34/20/23/599342023.db2.gz OUUFUOVOUVJBIP-LLVKDONJSA-N -1 1 396.448 1.075 20 0 GDADMM CCO[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1(C)C ZINC000821358872 599344724 /nfs/dbraw/zinc/34/47/24/599344724.db2.gz LFBLCMGXFCFOLR-CHWSQXEVSA-N -1 1 383.449 1.830 20 0 GDADMM CCO[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1(C)C ZINC000821358872 599344728 /nfs/dbraw/zinc/34/47/28/599344728.db2.gz LFBLCMGXFCFOLR-CHWSQXEVSA-N -1 1 383.449 1.830 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCCOc1cccnc1 ZINC000737199603 599360049 /nfs/dbraw/zinc/36/00/49/599360049.db2.gz IMTCAVFEAIJHNG-UHFFFAOYSA-N -1 1 384.396 1.534 20 0 GDADMM COc1cc(F)c(S(=O)(=O)[N-]Cc2cc(-c3nn[nH]n3)ccc2F)c(F)c1 ZINC000821720149 599366982 /nfs/dbraw/zinc/36/69/82/599366982.db2.gz NLAYKDYWHLDTTK-UHFFFAOYSA-N -1 1 399.354 1.771 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@@H](C)CCc2cccn2C)cc1-c1nn[n-]n1 ZINC000821971106 599486517 /nfs/dbraw/zinc/48/65/17/599486517.db2.gz XWHOGUIGYFVDEL-JTQLQIEISA-N -1 1 387.469 1.779 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC[C@](C)(O)CCC(C)C)cc1-c1nn[n-]n1 ZINC000821976779 599489054 /nfs/dbraw/zinc/48/90/54/599489054.db2.gz DCZQUSQRRKYWEK-MRXNPFEDSA-N -1 1 380.474 1.606 20 0 GDADMM Cn1cc(N2CCC[C@@H](Nc3snc(Cl)c3-c3nnn[n-]3)C2=O)cn1 ZINC000822680403 599586256 /nfs/dbraw/zinc/58/62/56/599586256.db2.gz NXUIPRIYFIQIFU-MRVPVSSYSA-N -1 1 379.837 1.318 20 0 GDADMM Cn1cc(N2CCC[C@@H](Nc3snc(Cl)c3-c3nn[n-]n3)C2=O)cn1 ZINC000822680403 599586258 /nfs/dbraw/zinc/58/62/58/599586258.db2.gz NXUIPRIYFIQIFU-MRVPVSSYSA-N -1 1 379.837 1.318 20 0 GDADMM C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CCCO1 ZINC000736286238 599593349 /nfs/dbraw/zinc/59/33/49/599593349.db2.gz ASJSIDUCWHOXTJ-SECBINFHSA-N -1 1 391.375 1.685 20 0 GDADMM CC[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CCO1 ZINC000736405552 599593982 /nfs/dbraw/zinc/59/39/82/599593982.db2.gz GSVTXBDHMVVCAU-SNVBAGLBSA-N -1 1 391.375 1.685 20 0 GDADMM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1Cc1ccc(OCC(N)=O)cc1 ZINC000736826291 599715713 /nfs/dbraw/zinc/71/57/13/599715713.db2.gz VETXKPCGJGJIJG-HNNXBMFYSA-N -1 1 383.448 1.960 20 0 GDADMM COc1ccnc(N2CCN(S(=O)(=O)c3cc(C(=O)[O-])ccc3F)CC2)c1 ZINC000738142578 599801328 /nfs/dbraw/zinc/80/13/28/599801328.db2.gz ASSQPDXHNOCBBS-UHFFFAOYSA-N -1 1 395.412 1.438 20 0 GDADMM C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820659505 607404928 /nfs/dbraw/zinc/40/49/28/607404928.db2.gz YNIURYISZLWUTJ-DGCLKSJQSA-N -1 1 387.444 1.780 20 0 GDADMM C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820659505 607404929 /nfs/dbraw/zinc/40/49/29/607404929.db2.gz YNIURYISZLWUTJ-DGCLKSJQSA-N -1 1 387.444 1.780 20 0 GDADMM Cc1cc(I)ccc1NC(=O)CNC(C)(C)C(=O)[O-] ZINC000114952869 599926509 /nfs/dbraw/zinc/92/65/09/599926509.db2.gz KUFLKEWYXIURJW-UHFFFAOYSA-N -1 1 376.194 1.991 20 0 GDADMM CC[C@@H]1CN(Cc2nc(=O)c3c(C)c(C(=O)[O-])sc3[nH]2)CCN1C[C@@H](C)O ZINC000736942416 599960774 /nfs/dbraw/zinc/96/07/74/599960774.db2.gz BIIOFNMHIKMLME-ZYHUDNBSSA-N -1 1 394.497 1.268 20 0 GDADMM O=C([O-])[C@H]1CN(CC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)CCO1 ZINC000738464248 600005141 /nfs/dbraw/zinc/00/51/41/600005141.db2.gz IATJMKYVGQVFEZ-IAGOWNOFSA-N -1 1 395.887 1.379 20 0 GDADMM O=C([O-])[C@@H]1CN(CC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)CCO1 ZINC000738464249 600005146 /nfs/dbraw/zinc/00/51/46/600005146.db2.gz IATJMKYVGQVFEZ-IRXDYDNUSA-N -1 1 395.887 1.379 20 0 GDADMM COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c1 ZINC000299167778 600005338 /nfs/dbraw/zinc/00/53/38/600005338.db2.gz VIZWGCCWSQXHSJ-UHFFFAOYSA-N -1 1 393.421 1.758 20 0 GDADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000826418379 607863738 /nfs/dbraw/zinc/86/37/38/607863738.db2.gz CWNBRUYQFFBKMH-UHFFFAOYSA-N -1 1 396.382 1.916 20 0 GDADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000826418379 607863739 /nfs/dbraw/zinc/86/37/39/607863739.db2.gz CWNBRUYQFFBKMH-UHFFFAOYSA-N -1 1 396.382 1.916 20 0 GDADMM COc1ccc(C[C@@]2(C)NC(=O)N(CN3CCCC[C@H]3CC(=O)[O-])C2=O)cc1 ZINC000737984045 600076920 /nfs/dbraw/zinc/07/69/20/600076920.db2.gz FLQNPRDVJIZOIU-MGPUTAFESA-N -1 1 389.452 1.835 20 0 GDADMM C[C@@H](NC(=O)OC(C)(C)C)C1CCN(CC(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000736651491 600092141 /nfs/dbraw/zinc/09/21/41/600092141.db2.gz VOPKZQJGNYTWFW-CQSZACIVSA-N -1 1 397.516 1.935 20 0 GDADMM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc(N3CCNC(=O)C3)cc2)c1 ZINC000740307060 600106005 /nfs/dbraw/zinc/10/60/05/600106005.db2.gz MXZQOMNWJJQBDO-UHFFFAOYSA-N -1 1 393.396 1.261 20 0 GDADMM CN(CC(=O)[O-])C(=O)CCN(CCO)Cc1cc(Br)ccc1F ZINC000737402290 600160684 /nfs/dbraw/zinc/16/06/84/600160684.db2.gz GKSANBRCRAGQCL-UHFFFAOYSA-N -1 1 391.237 1.316 20 0 GDADMM CC[C@@H](CO)NC(=O)c1ccc(NS(=O)(=O)c2ccsc2C(=O)[O-])cc1 ZINC000736904531 600169713 /nfs/dbraw/zinc/16/97/13/600169713.db2.gz KYEZJPCZUQVFNV-NSHDSACASA-N -1 1 398.462 1.748 20 0 GDADMM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(C2CCC2)CC1 ZINC000739290096 600225071 /nfs/dbraw/zinc/22/50/71/600225071.db2.gz QHXGLUXCPAZKRS-IBGZPJMESA-N -1 1 384.480 1.450 20 0 GDADMM O=C([O-])c1cccc(CS(=O)(=O)N2CCCN(C[C@H]3CCCO3)CC2)c1 ZINC000740226239 600229094 /nfs/dbraw/zinc/22/90/94/600229094.db2.gz FRCHMZIDPYINGM-QGZVFWFLSA-N -1 1 382.482 1.401 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCc1cccc(F)n1 ZINC000826328486 607432892 /nfs/dbraw/zinc/43/28/92/607432892.db2.gz SJNYSCDOWAVPPI-UHFFFAOYSA-N -1 1 395.402 1.309 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCc1cccc(F)n1 ZINC000826328486 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NKDJFVQBUHDOGO-CQSZACIVSA-N -1 1 392.456 1.027 20 0 GDADMM Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000740161770 602539225 /nfs/dbraw/zinc/53/92/25/602539225.db2.gz GMRYJEILGGSGDU-HZPDHXFCSA-N -1 1 390.484 1.678 20 0 GDADMM CCCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739352040 602544069 /nfs/dbraw/zinc/54/40/69/602544069.db2.gz BDXCXYJNCBNPEH-GOSISDBHSA-N -1 1 390.484 1.926 20 0 GDADMM CCCN(CC(=O)N1CCN(C(=O)c2ccco2)CC1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739348117 602546182 /nfs/dbraw/zinc/54/61/82/602546182.db2.gz GJJFNUGHQFJSNR-OAHLLOKOSA-N -1 1 392.456 1.028 20 0 GDADMM CN1CCN(c2ccc(CNC(=O)[C@@H](Cc3ccccc3)NC(=O)[O-])cn2)CC1 ZINC000739737527 602565574 /nfs/dbraw/zinc/56/55/74/602565574.db2.gz YMGSUQTVFYZWQS-GOSISDBHSA-N -1 1 397.479 1.329 20 0 GDADMM CN(C[C@H]1CCN(C(=O)[C@@H](c2ccccc2)N2CCC(O)CC2)C1)C(=O)[O-] ZINC000739640584 602574855 /nfs/dbraw/zinc/57/48/55/602574855.db2.gz HKUQDIOAKRESKK-CRAIPNDOSA-N -1 1 375.469 1.643 20 0 GDADMM CCCN(CC(=O)N1CCN(Cc2cccs2)CC1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739347182 602578031 /nfs/dbraw/zinc/57/80/31/602578031.db2.gz DEJNOMBBFAAOGE-MRXNPFEDSA-N -1 1 394.541 1.857 20 0 GDADMM O=C([O-])N1CC[C@@H](NC(=O)NCCCN2CCN(c3ccccc3)CC2)C1 ZINC000740428750 602584198 /nfs/dbraw/zinc/58/41/98/602584198.db2.gz PEFSHJSSRNPLTL-MRXNPFEDSA-N -1 1 375.473 1.250 20 0 GDADMM CCOC(=O)c1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000825565336 607575129 /nfs/dbraw/zinc/57/51/29/607575129.db2.gz RFDHOOAHTJOYBE-UHFFFAOYSA-N -1 1 392.368 1.950 20 0 GDADMM CCOC(=O)c1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000825565336 607575130 /nfs/dbraw/zinc/57/51/30/607575130.db2.gz RFDHOOAHTJOYBE-UHFFFAOYSA-N -1 1 392.368 1.950 20 0 GDADMM C[C@@H](CNC(=O)[O-])N(C)C(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000738930654 602615994 /nfs/dbraw/zinc/61/59/94/602615994.db2.gz VLLPVLYJQMCPSN-INIZCTEOSA-N -1 1 377.489 1.496 20 0 GDADMM O=C([O-])N1CC[C@H](NC(=O)C(=O)Nc2ccccc2CN2CCSCC2)C1 ZINC000740475232 602647915 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GDADMM COc1ncccc1CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826222301 607584119 /nfs/dbraw/zinc/58/41/19/607584119.db2.gz RBOYWBXEJWLUET-UHFFFAOYSA-N -1 1 380.817 1.402 20 0 GDADMM COc1ncccc1CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826222301 607584120 /nfs/dbraw/zinc/58/41/20/607584120.db2.gz RBOYWBXEJWLUET-UHFFFAOYSA-N -1 1 380.817 1.402 20 0 GDADMM CNC(=O)c1cccc(OS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000826073492 607585295 /nfs/dbraw/zinc/58/52/95/607585295.db2.gz URMKBCUGIHEXEU-UHFFFAOYSA-N -1 1 393.812 1.647 20 0 GDADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N1C[C@@H](C)N(C(=O)[O-])[C@H](C)C1 ZINC000740028170 602808687 /nfs/dbraw/zinc/80/86/87/602808687.db2.gz IHTPVWJDCRMPHR-GHMZBOCLSA-N -1 1 386.412 1.089 20 0 GDADMM COc1ccc(NC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)cc1NC(=O)[O-] ZINC000739917403 602820812 /nfs/dbraw/zinc/82/08/12/602820812.db2.gz FNIVFQLWCXTBFU-LSDHHAIUSA-N -1 1 378.429 1.848 20 0 GDADMM CC(C)Oc1ccc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cn1 ZINC000824324867 607589248 /nfs/dbraw/zinc/58/92/48/607589248.db2.gz XAHYPKOTFRDYAI-UHFFFAOYSA-N -1 1 392.416 1.667 20 0 GDADMM CC(C)Oc1ccc(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cn1 ZINC000824324867 607589250 /nfs/dbraw/zinc/58/92/50/607589250.db2.gz XAHYPKOTFRDYAI-UHFFFAOYSA-N -1 1 392.416 1.667 20 0 GDADMM C[C@H](COc1ccccc1)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824450746 607591366 /nfs/dbraw/zinc/59/13/66/607591366.db2.gz ZEDGFHSTYFMTGX-LLVKDONJSA-N -1 1 377.401 1.752 20 0 GDADMM C[C@H](COc1ccccc1)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824450746 607591367 /nfs/dbraw/zinc/59/13/67/607591367.db2.gz ZEDGFHSTYFMTGX-LLVKDONJSA-N -1 1 377.401 1.752 20 0 GDADMM O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000740622959 602974486 /nfs/dbraw/zinc/97/44/86/602974486.db2.gz PYXRJNJOVJTCAT-AAEUAGOBSA-N -1 1 390.465 1.628 20 0 GDADMM CN1CCN(c2cc(C(=O)N[C@H]3CCCC[C@@H]3CNC(=O)[O-])ccn2)CC1 ZINC000739736559 602988795 /nfs/dbraw/zinc/98/87/95/602988795.db2.gz NCOKXXRKSASGFP-CVEARBPZSA-N -1 1 375.473 1.390 20 0 GDADMM C[C@H](NC(=O)C(=O)Nc1ccn(-c2ccncc2)n1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738953559 603044380 /nfs/dbraw/zinc/04/43/80/603044380.db2.gz ZLRPEMHBBOTBEI-QWHCGFSZSA-N -1 1 386.412 1.101 20 0 GDADMM Cc1nn(C)c2nc(C)c(CC(=O)OCc3ccnc(-c4nnn[n-]4)c3)c(C)c12 ZINC000826327958 607602858 /nfs/dbraw/zinc/60/28/58/607602858.db2.gz AVSJIJONDOVYKN-UHFFFAOYSA-N -1 1 392.423 1.755 20 0 GDADMM Cc1nn(C)c2nc(C)c(CC(=O)OCc3ccnc(-c4nn[n-]n4)c3)c(C)c12 ZINC000826327958 607602859 /nfs/dbraw/zinc/60/28/59/607602859.db2.gz AVSJIJONDOVYKN-UHFFFAOYSA-N -1 1 392.423 1.755 20 0 GDADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)NC1CCC(NC(=O)[O-])CC1 ZINC000740028221 603067661 /nfs/dbraw/zinc/06/76/61/603067661.db2.gz KCDAQSVIHUCGKJ-UHFFFAOYSA-N -1 1 386.412 1.185 20 0 GDADMM CCCc1nc([C@@H]2CN(C(=O)c3csc(CNC(=O)[O-])n3)CCO2)n[nH]1 ZINC000826953068 603075513 /nfs/dbraw/zinc/07/55/13/603075513.db2.gz AWECQINWLUMCIJ-JTQLQIEISA-N -1 1 380.430 1.195 20 0 GDADMM CCCc1n[nH]c([C@@H]2CN(C(=O)c3csc(CNC(=O)[O-])n3)CCO2)n1 ZINC000826953068 603075518 /nfs/dbraw/zinc/07/55/18/603075518.db2.gz AWECQINWLUMCIJ-JTQLQIEISA-N -1 1 380.430 1.195 20 0 GDADMM CC(C)(C)c1n[nH]c([C@@H]2CN(C(=O)[C@H]3CCC[C@H](NC(=O)[O-])C3)CCO2)n1 ZINC000823864926 603077760 /nfs/dbraw/zinc/07/77/60/603077760.db2.gz RMSDLEQFIVEUDQ-AVGNSLFASA-N -1 1 379.461 1.829 20 0 GDADMM CC(C)(C)c1nnc([C@@H]2CN(C(=O)[C@H]3CCC[C@H](NC(=O)[O-])C3)CCO2)[nH]1 ZINC000823864926 603077766 /nfs/dbraw/zinc/07/77/66/603077766.db2.gz RMSDLEQFIVEUDQ-AVGNSLFASA-N -1 1 379.461 1.829 20 0 GDADMM O=S(=O)(NCc1cccc2c1OCCO2)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826491810 607605807 /nfs/dbraw/zinc/60/58/07/607605807.db2.gz CKRNDGYCOAITOS-UHFFFAOYSA-N -1 1 391.384 1.256 20 0 GDADMM CCS(=O)(=O)c1ccc(F)c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000825669084 607606666 /nfs/dbraw/zinc/60/66/66/607606666.db2.gz PSWVEAJIUYDJFG-UHFFFAOYSA-N -1 1 391.384 1.551 20 0 GDADMM CCS(=O)(=O)c1ccc(F)c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000825669084 607606667 /nfs/dbraw/zinc/60/66/67/607606667.db2.gz PSWVEAJIUYDJFG-UHFFFAOYSA-N -1 1 391.384 1.551 20 0 GDADMM Cc1ccc([C@@H](CNC(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)N2CCCC2)o1 ZINC000740111878 603126290 /nfs/dbraw/zinc/12/62/90/603126290.db2.gz AVJZORAWRVLVSA-MRXNPFEDSA-N -1 1 392.500 1.915 20 0 GDADMM O=C([O-])NC[C@H]1CCCN(C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)C1 ZINC000740626129 603128821 /nfs/dbraw/zinc/12/88/21/603128821.db2.gz UWIHLXVVFUKMKG-LLVKDONJSA-N -1 1 376.392 1.800 20 0 GDADMM O=C([O-])NC[C@H]1CCCN(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)C1 ZINC000740626129 603128824 /nfs/dbraw/zinc/12/88/24/603128824.db2.gz UWIHLXVVFUKMKG-LLVKDONJSA-N -1 1 376.392 1.800 20 0 GDADMM O=S(=O)(N[C@@H]1CCOc2ccc(F)cc21)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826488980 607612449 /nfs/dbraw/zinc/61/24/49/607612449.db2.gz DWXXVSJESBMGRX-CYBMUJFWSA-N -1 1 393.375 1.947 20 0 GDADMM C[C@@H]1CN(C(=O)Nc2ccccc2N2CCN(C)CC2)CC[C@@H]1NC(=O)[O-] ZINC000739146006 603184589 /nfs/dbraw/zinc/18/45/89/603184589.db2.gz OSIUJYHUJBKTHE-CABCVRRESA-N -1 1 375.473 1.948 20 0 GDADMM CCc1nc(-c2ccc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)cc2)n[nH]1 ZINC000825739969 607613558 /nfs/dbraw/zinc/61/35/58/607613558.db2.gz LXZYLSGUCIXQTD-UHFFFAOYSA-N -1 1 376.380 1.966 20 0 GDADMM C[C@H]1CCCN(C(=O)C2CCN(C(=O)CN(C)CCCNC(=O)[O-])CC2)C1 ZINC000739108409 603257172 /nfs/dbraw/zinc/25/71/72/603257172.db2.gz WSNYKPBGXFKHIT-HNNXBMFYSA-N -1 1 382.505 1.073 20 0 GDADMM C[C@@H]1CN(Cc2ccc(CNC(=O)[C@H]3CCN(C(=O)[O-])C3)cc2)C[C@H](C)O1 ZINC000739188426 603275539 /nfs/dbraw/zinc/27/55/39/603275539.db2.gz YCGYRWAAIJCHQQ-DAYGRLMNSA-N -1 1 375.469 1.912 20 0 GDADMM COc1cc(CN(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)ccc1O ZINC000826179387 607622612 /nfs/dbraw/zinc/62/26/12/607622612.db2.gz MMHQLWLDNQQWFC-UHFFFAOYSA-N -1 1 393.400 1.541 20 0 GDADMM COc1cc(CN(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)ccc1O ZINC000826179387 607622613 /nfs/dbraw/zinc/62/26/13/607622613.db2.gz MMHQLWLDNQQWFC-UHFFFAOYSA-N -1 1 393.400 1.541 20 0 GDADMM COc1cc(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)ccc1O ZINC000826179312 607624109 /nfs/dbraw/zinc/62/41/09/607624109.db2.gz JBPPLSZTVHMFAU-UHFFFAOYSA-N -1 1 379.373 1.199 20 0 GDADMM CC(C)(C)CN(CCCO)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824085110 607631249 /nfs/dbraw/zinc/63/12/49/607631249.db2.gz BKQRWLIDLHMNEH-UHFFFAOYSA-N -1 1 387.893 1.939 20 0 GDADMM CC(C)(C)CN(CCCO)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824085110 607631251 /nfs/dbraw/zinc/63/12/51/607631251.db2.gz BKQRWLIDLHMNEH-UHFFFAOYSA-N -1 1 387.893 1.939 20 0 GDADMM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000826115291 603555772 /nfs/dbraw/zinc/55/57/72/603555772.db2.gz DPTNQIRTFAPGMW-XJKSGUPXSA-N -1 1 376.457 1.880 20 0 GDADMM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000826115288 603555957 /nfs/dbraw/zinc/55/59/57/603555957.db2.gz DPTNQIRTFAPGMW-BBRMVZONSA-N -1 1 376.457 1.880 20 0 GDADMM C[C@H](c1ccccc1)[C@H](CO)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824770833 607637203 /nfs/dbraw/zinc/63/72/03/607637203.db2.gz MZRHSBUINKOLQR-RISCZKNCSA-N -1 1 391.428 1.449 20 0 GDADMM C[C@H](c1ccccc1)[C@H](CO)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824770833 607637204 /nfs/dbraw/zinc/63/72/04/607637204.db2.gz MZRHSBUINKOLQR-RISCZKNCSA-N -1 1 391.428 1.449 20 0 GDADMM CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)CC(C)(C)CNC(=O)[O-] ZINC000828114613 603625432 /nfs/dbraw/zinc/62/54/32/603625432.db2.gz IPJUQZSRQPYUEO-UHFFFAOYSA-N -1 1 378.473 1.687 20 0 GDADMM O=S(=O)(NCCCc1ccc(O)cc1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826491036 607640864 /nfs/dbraw/zinc/64/08/64/607640864.db2.gz RCDXQYPSLHZNQH-UHFFFAOYSA-N -1 1 377.401 1.623 20 0 GDADMM O=S(=O)(NCCCc1ccc(O)cc1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826491036 607640867 /nfs/dbraw/zinc/64/08/67/607640867.db2.gz RCDXQYPSLHZNQH-UHFFFAOYSA-N -1 1 377.401 1.623 20 0 GDADMM CCN1CCN(c2ccc(CNC(=O)N3CCC[C@@H]3CNC(=O)[O-])cn2)CC1 ZINC000827229065 603699074 /nfs/dbraw/zinc/69/90/74/603699074.db2.gz SZAYFQFGTMISCI-MRXNPFEDSA-N -1 1 390.488 1.165 20 0 GDADMM CN(C(=O)CCn1c(=O)c2ccccc2[nH]c1=S)[C@H]1CCN(C(=O)[O-])C1 ZINC000827758961 603702180 /nfs/dbraw/zinc/70/21/80/603702180.db2.gz LBECXIGIXIOOOL-NSHDSACASA-N -1 1 376.438 1.286 20 0 GDADMM CN(C(=O)CCn1c(=O)c2ccccc2[nH]c1=S)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827758960 603702333 /nfs/dbraw/zinc/70/23/33/603702333.db2.gz LBECXIGIXIOOOL-LLVKDONJSA-N -1 1 376.438 1.286 20 0 GDADMM Cc1nn2cccnc2c1C(=O)Nc1ccc(-c2nc(CNC(=O)[O-])n[nH]2)cc1 ZINC000830876409 603735348 /nfs/dbraw/zinc/73/53/48/603735348.db2.gz ZXLOKWRCUVJJCD-UHFFFAOYSA-N -1 1 392.379 1.843 20 0 GDADMM Cc1nn2cccnc2c1C(=O)Nc1ccc(-c2n[nH]c(CNC(=O)[O-])n2)cc1 ZINC000830876409 603735350 /nfs/dbraw/zinc/73/53/50/603735350.db2.gz ZXLOKWRCUVJJCD-UHFFFAOYSA-N -1 1 392.379 1.843 20 0 GDADMM O=S(=O)(NC[C@@H]1OCCc2sccc21)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826491171 607651768 /nfs/dbraw/zinc/65/17/68/607651768.db2.gz WWRBIDDISGJZNP-LBPRGKRZSA-N -1 1 395.441 1.660 20 0 GDADMM CN(C(=O)[O-])[C@@H]1CCN(Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000827889217 603849237 /nfs/dbraw/zinc/84/92/37/603849237.db2.gz FTIAYCUWUXQOMI-GFCCVEGCSA-N -1 1 381.230 1.641 20 0 GDADMM COc1cc(CNCc2cccc3c2N(C(=O)[O-])CC3)ccc1OCC(N)=O ZINC000829124570 603854680 /nfs/dbraw/zinc/85/46/80/603854680.db2.gz JMPCJQBCUAYJGO-UHFFFAOYSA-N -1 1 385.420 1.890 20 0 GDADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)c3ccc4n[nH]nc4c3)cc2)n1 ZINC000832730275 603913331 /nfs/dbraw/zinc/91/33/31/603913331.db2.gz RBNQPFOIPPNYTK-UHFFFAOYSA-N -1 1 378.352 1.763 20 0 GDADMM Cc1ccccc1[C@H](CO)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826306417 607659875 /nfs/dbraw/zinc/65/98/75/607659875.db2.gz YHRROMTVFPQCFY-ZDUSSCGKSA-N -1 1 393.856 1.840 20 0 GDADMM Cc1ccccc1[C@H](CO)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826306417 607659876 /nfs/dbraw/zinc/65/98/76/607659876.db2.gz YHRROMTVFPQCFY-ZDUSSCGKSA-N -1 1 393.856 1.840 20 0 GDADMM CC(C)[C@@H](CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[O-])N1CCN(C)CC1 ZINC000738775094 603935201 /nfs/dbraw/zinc/93/52/01/603935201.db2.gz OTJXYPUAGCOPDG-QZTJIDSGSA-N -1 1 376.501 1.254 20 0 GDADMM O=C([O-])N1CCc2c1cccc2NC(=O)C(=O)N1CCN(C2CCCC2)CC1 ZINC000831788906 604030392 /nfs/dbraw/zinc/03/03/92/604030392.db2.gz LQIWBUJVDBRBAK-UHFFFAOYSA-N -1 1 386.452 1.752 20 0 GDADMM CCOC(=O)c1cnc(N2CCN(C[C@@H]3CCCN(C(=O)[O-])C3)CC2)s1 ZINC000827349248 604063683 /nfs/dbraw/zinc/06/36/83/604063683.db2.gz HLOZAXMFGVVCNJ-ZDUSSCGKSA-N -1 1 382.486 1.832 20 0 GDADMM O=S(=O)(N[C@@H]1CCC[C@H]2OCC[C@@H]21)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826488215 607673121 /nfs/dbraw/zinc/67/31/21/607673121.db2.gz KPYBICDDEVLCBW-YUSALJHKSA-N -1 1 383.861 1.756 20 0 GDADMM O=S(=O)(N[C@@H]1CCC[C@H]2OCC[C@@H]21)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826488215 607673123 /nfs/dbraw/zinc/67/31/23/607673123.db2.gz KPYBICDDEVLCBW-YUSALJHKSA-N -1 1 383.861 1.756 20 0 GDADMM COCC1(NS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CC1 ZINC000826152980 607674190 /nfs/dbraw/zinc/67/41/90/607674190.db2.gz WNAIOYHCZBLDIQ-UHFFFAOYSA-N -1 1 377.348 1.343 20 0 GDADMM C[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)[C@@H](O)Cc1ccccc1 ZINC000824640564 607679538 /nfs/dbraw/zinc/67/95/38/607679538.db2.gz LEJJAPAUCJRUKH-NHYWBVRUSA-N -1 1 391.428 1.276 20 0 GDADMM C[C@@H](NC(=O)[O-])[C@H]1CCCN(CC(=O)NCCCN2CCCCCC2=O)C1 ZINC000825256173 604231256 /nfs/dbraw/zinc/23/12/56/604231256.db2.gz UZIMACSMPNGLSB-CVEARBPZSA-N -1 1 382.505 1.263 20 0 GDADMM Cc1ccc(-c2n[nH]c(SCC(=O)N3CCO[C@@H](CC(=O)[O-])C3)n2)cc1 ZINC000832907826 604303890 /nfs/dbraw/zinc/30/38/90/604303890.db2.gz NNSYVFBWEHKZSX-ZDUSSCGKSA-N -1 1 376.438 1.574 20 0 GDADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)CC1 ZINC000827374749 604329705 /nfs/dbraw/zinc/32/97/05/604329705.db2.gz LPIXFMRFHGFHRJ-DZGCQCFKSA-N -1 1 385.505 1.933 20 0 GDADMM CC(=O)N1CCCN([C@H]2CN(C(=O)c3c(C)[nH]c(C(=O)[O-])c3C)C[C@H]2C)CC1 ZINC000825833476 604341111 /nfs/dbraw/zinc/34/11/11/604341111.db2.gz ASHVYBLVFGQXLC-WBMJQRKESA-N -1 1 390.484 1.344 20 0 GDADMM Cn1c2nnc(CN[C@](C)(CNC(=O)[O-])C3CC3)n2c2ccsc2c1=O ZINC000830969086 604341853 /nfs/dbraw/zinc/34/18/53/604341853.db2.gz PRTBVIHTHAKPSK-MRXNPFEDSA-N -1 1 376.442 1.169 20 0 GDADMM COc1ccc(CN(C)S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)cn1 ZINC000826192852 607693499 /nfs/dbraw/zinc/69/34/99/607693499.db2.gz FNXQXKBRSPHQIV-UHFFFAOYSA-N -1 1 394.844 1.744 20 0 GDADMM C[C@H]1CCCN(C(=O)C2CCN(C(=O)CNC3(C(=O)[O-])CCCC3)CC2)C1 ZINC000533203102 604475462 /nfs/dbraw/zinc/47/54/62/604475462.db2.gz LPJNBGNICQUMCA-HNNXBMFYSA-N -1 1 379.501 1.471 20 0 GDADMM CN(C)C[C@H]1CCCN1S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000061643589 604488114 /nfs/dbraw/zinc/48/81/14/604488114.db2.gz XCYVLFTUKOYGSN-MRVPVSSYSA-N -1 1 381.248 1.455 20 0 GDADMM CN1CCN(c2ncccc2CNC(=O)Nc2cc(C(=O)[O-])cs2)CC1 ZINC000830960127 604516644 /nfs/dbraw/zinc/51/66/44/604516644.db2.gz GZIBLTYSZXCFOE-UHFFFAOYSA-N -1 1 375.454 1.915 20 0 GDADMM C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(SCCC(=O)[O-])c2)CN1C1CC1 ZINC000833597189 604627976 /nfs/dbraw/zinc/62/79/76/604627976.db2.gz OCWJGCDHKMAQOY-TZMCWYRMSA-N -1 1 391.493 1.933 20 0 GDADMM C[C@H](Oc1ccc(CN2CCCC[C@H]2C(=O)N2CCOCC2)cc1)C(=O)[O-] ZINC000833542833 604631147 /nfs/dbraw/zinc/63/11/47/604631147.db2.gz SXHUETGQEUPSOT-YJBOKZPZSA-N -1 1 376.453 1.752 20 0 GDADMM COc1ccc([C@H](CNC(=O)[C@@H]2CN(C(=O)[O-])CCO2)N2CCCCC2)cc1 ZINC000829312578 604650678 /nfs/dbraw/zinc/65/06/78/604650678.db2.gz VIXAAOBZIMDAGY-ROUUACIJSA-N -1 1 391.468 1.717 20 0 GDADMM CCNC(=O)N1CCc2ccc(NS(=O)(=O)c3ccc(C(=O)[O-])nc3)cc21 ZINC000833658284 604690217 /nfs/dbraw/zinc/69/02/17/604690217.db2.gz ZBPQVFSVZRECFK-UHFFFAOYSA-N -1 1 390.421 1.673 20 0 GDADMM C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C(=O)[O-])nc2)CN1Cc1ccccc1 ZINC000833598974 604698412 /nfs/dbraw/zinc/69/84/12/604698412.db2.gz UEUJHNKPTHNRSB-HIFRSBDPSA-N -1 1 375.450 1.721 20 0 GDADMM COc1ccc([C@@H]2CCCN2C(=O)CN2CCC(O)(C(=O)[O-])CC2)c(OC)c1 ZINC000833732545 604725559 /nfs/dbraw/zinc/72/55/59/604725559.db2.gz NNCMSXMRKBNJGB-INIZCTEOSA-N -1 1 392.452 1.279 20 0 GDADMM C[C@@H]1CN2CCC[C@H]2CN1C(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1 ZINC000833635519 604734864 /nfs/dbraw/zinc/73/48/64/604734864.db2.gz VGOBYZYUOTZTSO-RISCZKNCSA-N -1 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C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000825833153 605399427 /nfs/dbraw/zinc/39/94/27/605399427.db2.gz ZYKAKGOEVUSYHB-GWCFXTLKSA-N -1 1 376.392 1.941 20 0 GDADMM CCc1oc(C(=O)[O-])cc1S(=O)(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000833682717 605431259 /nfs/dbraw/zinc/43/12/59/605431259.db2.gz OSSGQZCUXBTSFG-CYBMUJFWSA-N -1 1 386.470 1.462 20 0 GDADMM O=C([O-])N[C@@H]1CCC[C@H]2CN(CC3=Nc4ccccc4S(=O)(=O)N3)C[C@H]21 ZINC000834188606 605445877 /nfs/dbraw/zinc/44/58/77/605445877.db2.gz QPTFWVKGJLVKBB-YNEHKIRRSA-N -1 1 378.454 1.377 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCC1(C2CC2)CCC1 ZINC000824999805 607761786 /nfs/dbraw/zinc/76/17/86/607761786.db2.gz KGBLCDQVZDJNFZ-ZDUSSCGKSA-N -1 1 397.487 1.457 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCC1(C2CC2)CCC1 ZINC000824999805 607761787 /nfs/dbraw/zinc/76/17/87/607761787.db2.gz KGBLCDQVZDJNFZ-ZDUSSCGKSA-N -1 1 397.487 1.457 20 0 GDADMM O=C([O-])NC1(CNC(=O)C(=O)Nc2cnn(-c3ccncc3)c2)CCCCC1 ZINC000832219711 605494393 /nfs/dbraw/zinc/49/43/93/605494393.db2.gz QUHQFRGLJJIJSV-UHFFFAOYSA-N -1 1 386.412 1.293 20 0 GDADMM C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000825816539 605509558 /nfs/dbraw/zinc/50/95/58/605509558.db2.gz KFHRJEKQIPZMTR-YOEHRIQHSA-N -1 1 375.473 1.876 20 0 GDADMM O=C(NC[C@H](O)[C@@H]1CCCO1)c1ccc(I)c([O-])c1 ZINC000529769236 649958812 /nfs/dbraw/zinc/95/88/12/649958812.db2.gz NQLWXQRAGPBDEN-RYUDHWBXSA-N -1 1 377.178 1.267 20 0 GDADMM O=C([O-])N1CCc2cccc(CNCCNS(=O)(=O)c3cccnc3)c21 ZINC000832086584 605521271 /nfs/dbraw/zinc/52/12/71/605521271.db2.gz HEUUVAPHNDVQLQ-UHFFFAOYSA-N -1 1 376.438 1.190 20 0 GDADMM O=C([O-])N1CCC[C@H]1C(=O)NC[C@@H]1CCCN(CCOCC(F)(F)F)C1 ZINC000834027595 605521694 /nfs/dbraw/zinc/52/16/94/605521694.db2.gz MAHRBFYRKQBHTF-STQMWFEESA-N -1 1 381.395 1.536 20 0 GDADMM O=C([O-])N[C@H](CC(=O)N1CCC(CN2CCOCC2)CC1)c1ccccc1 ZINC000832092660 605587813 /nfs/dbraw/zinc/58/78/13/605587813.db2.gz KMPHGLGJMLRONH-GOSISDBHSA-N -1 1 375.469 1.956 20 0 GDADMM C[C@H](OC(=O)c1cnc(C(=O)[O-])cn1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000833536434 605640911 /nfs/dbraw/zinc/64/09/11/605640911.db2.gz OWSOZTUORFNHKH-ZFWWWQNUSA-N -1 1 398.419 1.111 20 0 GDADMM CC(C)[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1nc(-c2nc[nH]n2)no1 ZINC000824198332 607767550 /nfs/dbraw/zinc/76/75/50/607767550.db2.gz BMLIKTDZZIQLST-VIFPVBQESA-N -1 1 386.401 1.223 20 0 GDADMM CCCN(C(=O)c1ccnc(N2CCN(C)CC2)c1)C1CCN(C(=O)[O-])CC1 ZINC000826887109 605880894 /nfs/dbraw/zinc/88/08/94/605880894.db2.gz LREUYMMAZBXQFD-UHFFFAOYSA-N -1 1 389.500 1.828 20 0 GDADMM C[C@H]1C[C@H](CNC(=O)[O-])CN1CC(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000833830930 605892778 /nfs/dbraw/zinc/89/27/78/605892778.db2.gz LJDRCNFDXJDSBP-DZGCQCFKSA-N -1 1 388.468 1.173 20 0 GDADMM N=C(NOCc1ccc(S(=O)(=O)C(F)F)cc1)[C@H]1COCCN1C(=O)[O-] ZINC000833981495 605924814 /nfs/dbraw/zinc/92/48/14/605924814.db2.gz UTAQYXRDYDTPQN-LLVKDONJSA-N -1 1 393.368 1.060 20 0 GDADMM O=C([O-])NC[C@H]1CCN(C(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C1 ZINC000834222430 605931486 /nfs/dbraw/zinc/93/14/86/605931486.db2.gz YFSFLQYEMFWVJH-MRVPVSSYSA-N -1 1 381.339 1.555 20 0 GDADMM CCOC(=O)C1=C(CN2CC[C@H](NC(=O)[O-])C2)NC(=O)N[C@@H]1c1ccccc1 ZINC000739469381 605933944 /nfs/dbraw/zinc/93/39/44/605933944.db2.gz YAHBQPOSBGMLLT-XJKSGUPXSA-N -1 1 388.424 1.200 20 0 GDADMM O=C([O-])N[C@H](CNC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)C1CC1 ZINC000834145052 605946583 /nfs/dbraw/zinc/94/65/83/605946583.db2.gz MSWPGKDFBYWAPA-KURKYZTESA-N -1 1 390.484 1.215 20 0 GDADMM Cc1cccc([C@H]2CCCCN2c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)c1C ZINC000822299829 606061900 /nfs/dbraw/zinc/06/19/00/606061900.db2.gz WBFFXOHEQHJBTG-OAHLLOKOSA-N -1 1 395.467 1.613 20 0 GDADMM CN(CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1)Cc1nccs1 ZINC000821593886 606111731 /nfs/dbraw/zinc/11/17/31/606111731.db2.gz OKYCHIFPWNTLDX-UHFFFAOYSA-N -1 1 395.452 1.579 20 0 GDADMM CN(CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1)Cc1nccs1 ZINC000821593886 606111732 /nfs/dbraw/zinc/11/17/32/606111732.db2.gz OKYCHIFPWNTLDX-UHFFFAOYSA-N -1 1 395.452 1.579 20 0 GDADMM Cc1cc(=O)n(C)cc1NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000822160898 606135853 /nfs/dbraw/zinc/13/58/53/606135853.db2.gz LVXXKLIFMSNZET-UHFFFAOYSA-N -1 1 383.412 1.163 20 0 GDADMM COc1cc2c(cc1OC)CCN(C(=O)Nc1nn(C)cc1-c1nnn[n-]1)CC2 ZINC000821727955 606157112 /nfs/dbraw/zinc/15/71/12/606157112.db2.gz PYBKMZASGDRJAV-UHFFFAOYSA-N -1 1 398.427 1.250 20 0 GDADMM COc1cc2c(cc1OC)CCN(C(=O)Nc1nn(C)cc1-c1nn[n-]n1)CC2 ZINC000821727955 606157114 /nfs/dbraw/zinc/15/71/14/606157114.db2.gz PYBKMZASGDRJAV-UHFFFAOYSA-N -1 1 398.427 1.250 20 0 GDADMM COc1cccc(C[C@@H]2CCCN2C(=O)Nc2nn(C)cc2-c2nnn[n-]2)c1 ZINC000821863767 606157218 /nfs/dbraw/zinc/15/72/18/606157218.db2.gz OPPXIJLWSOXJBW-ZDUSSCGKSA-N -1 1 382.428 1.848 20 0 GDADMM COc1cccc(C[C@@H]2CCCN2C(=O)Nc2nn(C)cc2-c2nn[n-]n2)c1 ZINC000821863767 606157220 /nfs/dbraw/zinc/15/72/20/606157220.db2.gz OPPXIJLWSOXJBW-ZDUSSCGKSA-N -1 1 382.428 1.848 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCNc2ncc(Cl)cc2Cl)n1 ZINC000822620199 606160071 /nfs/dbraw/zinc/16/00/71/606160071.db2.gz LIHVLJPGAMVPKC-UHFFFAOYSA-N -1 1 397.230 1.536 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCNc2ncc(Cl)cc2Cl)n1 ZINC000822620199 606160073 /nfs/dbraw/zinc/16/00/73/606160073.db2.gz LIHVLJPGAMVPKC-UHFFFAOYSA-N -1 1 397.230 1.536 20 0 GDADMM CC(=O)Nc1cccc2c1CCN(C(=O)Nc1nn(C)cc1-c1nnn[n-]1)C2 ZINC000819826257 606162075 /nfs/dbraw/zinc/16/20/75/606162075.db2.gz IPQKRNXTSQCTCU-UHFFFAOYSA-N -1 1 381.400 1.149 20 0 GDADMM CC(=O)Nc1cccc2c1CCN(C(=O)Nc1nn(C)cc1-c1nn[n-]n1)C2 ZINC000819826257 606162077 /nfs/dbraw/zinc/16/20/77/606162077.db2.gz IPQKRNXTSQCTCU-UHFFFAOYSA-N -1 1 381.400 1.149 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H](c2ccccc2)c2cccnc2)n1 ZINC000822609244 606164641 /nfs/dbraw/zinc/16/46/41/606164641.db2.gz KTGBLIIMVSOCJK-OAHLLOKOSA-N -1 1 375.396 1.906 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H](c2ccccc2)c2cccnc2)n1 ZINC000822609244 606164642 /nfs/dbraw/zinc/16/46/42/606164642.db2.gz KTGBLIIMVSOCJK-OAHLLOKOSA-N -1 1 375.396 1.906 20 0 GDADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(Cc2csc([C@H](C)OC)n2)c1 ZINC000821667106 606170837 /nfs/dbraw/zinc/17/08/37/606170837.db2.gz UXLNKMQFYYYLMX-QMMMGPOBSA-N -1 1 376.398 1.027 20 0 GDADMM CC[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc2c(c1)OCCO2 ZINC000820920133 606170901 /nfs/dbraw/zinc/17/09/01/606170901.db2.gz LOHWUKQKJUNHFS-LBPRGKRZSA-N -1 1 384.400 1.644 20 0 GDADMM CC[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc2c(c1)OCCO2 ZINC000820920133 606170903 /nfs/dbraw/zinc/17/09/03/606170903.db2.gz LOHWUKQKJUNHFS-LBPRGKRZSA-N -1 1 384.400 1.644 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@@H](O)c2ccc(C(C)(C)C)cc2)n1 ZINC000822614582 606173569 /nfs/dbraw/zinc/17/35/69/606173569.db2.gz NZUDWEJNQVJECS-CQSZACIVSA-N -1 1 384.444 1.753 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@@H](O)c2ccc(C(C)(C)C)cc2)n1 ZINC000822614582 606173570 /nfs/dbraw/zinc/17/35/70/606173570.db2.gz NZUDWEJNQVJECS-CQSZACIVSA-N -1 1 384.444 1.753 20 0 GDADMM COCCn1c(=O)cc([O-])nc1SCc1cn2ccccc2c1-c1nn[nH]n1 ZINC000821695419 606175536 /nfs/dbraw/zinc/17/55/36/606175536.db2.gz YKEWATVTKJIRPA-UHFFFAOYSA-N -1 1 399.436 1.320 20 0 GDADMM COC(=O)[C@@H]1CCC[C@@H](C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000821655668 606185635 /nfs/dbraw/zinc/18/56/35/606185635.db2.gz PMLSISMMUBVVHC-GHMZBOCLSA-N -1 1 375.433 1.736 20 0 GDADMM COC(=O)[C@@H]1CCC[C@@H](C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000821655668 606185638 /nfs/dbraw/zinc/18/56/38/606185638.db2.gz PMLSISMMUBVVHC-GHMZBOCLSA-N -1 1 375.433 1.736 20 0 GDADMM Cc1cncc(NC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)c1 ZINC000822400201 606191421 /nfs/dbraw/zinc/19/14/21/606191421.db2.gz ZKOKJPVJBSOHDF-UHFFFAOYSA-N -1 1 377.412 1.801 20 0 GDADMM Cc1cncc(NC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)c1 ZINC000822400201 606191423 /nfs/dbraw/zinc/19/14/23/606191423.db2.gz ZKOKJPVJBSOHDF-UHFFFAOYSA-N -1 1 377.412 1.801 20 0 GDADMM C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1cc(-c3nn[nH]n3)ccc1[O-])C2=O ZINC000820698284 606194900 /nfs/dbraw/zinc/19/49/00/606194900.db2.gz SIAXOGMWVSDKKP-MGNBDDOMSA-N -1 1 399.411 1.012 20 0 GDADMM Cc1ccc(-c2nn[nH]n2)cc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000822221314 606204460 /nfs/dbraw/zinc/20/44/60/606204460.db2.gz JZORTXIAESILSF-UHFFFAOYSA-N -1 1 382.405 1.817 20 0 GDADMM O=C(OC[C@H]1CC(=O)N(CCc2ccccc2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823397386 606206028 /nfs/dbraw/zinc/20/60/28/606206028.db2.gz WIECZEZKPZWXIR-HNNXBMFYSA-N -1 1 392.419 1.510 20 0 GDADMM O=C(OC[C@H]1CC(=O)N(CCc2ccccc2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823397386 606206029 /nfs/dbraw/zinc/20/60/29/606206029.db2.gz WIECZEZKPZWXIR-HNNXBMFYSA-N -1 1 392.419 1.510 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[C@](C)(CCc3ccccc3)C2)n(C)c1=O ZINC000822599137 606234323 /nfs/dbraw/zinc/23/43/23/606234323.db2.gz ANNWBIZCIVLMJH-FQEVSTJZSA-N -1 1 395.467 1.113 20 0 GDADMM C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)c3cc(-c4nn[nH]n4)cn3C)c2)CCO1 ZINC000820759772 606282794 /nfs/dbraw/zinc/28/27/94/606282794.db2.gz NNYKODJVTGMBSG-CQSZACIVSA-N -1 1 395.467 1.356 20 0 GDADMM O=C(Nc1ncn(Cc2ccc(Cl)cc2)n1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823383772 606311743 /nfs/dbraw/zinc/31/17/43/606311743.db2.gz ZHANANLGPMDLSP-UHFFFAOYSA-N -1 1 381.787 1.807 20 0 GDADMM O=C(Nc1ncn(Cc2ccc(Cl)cc2)n1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823383772 606311744 /nfs/dbraw/zinc/31/17/44/606311744.db2.gz ZHANANLGPMDLSP-UHFFFAOYSA-N -1 1 381.787 1.807 20 0 GDADMM COc1ccc(-c2nn[nH]n2)cc1NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000821766417 606331761 /nfs/dbraw/zinc/33/17/61/606331761.db2.gz WJPZQKKQANBWHX-UHFFFAOYSA-N -1 1 389.393 1.303 20 0 GDADMM CCN(CC)C(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccc(-c2nn[n-]n2)s1 ZINC000821170571 606393201 /nfs/dbraw/zinc/39/32/01/606393201.db2.gz SZBRPHUSRGYOIN-ZDUSSCGKSA-N -1 1 391.526 1.932 20 0 GDADMM c1cc(-c2noc(CN3CCN(c4cccc(-c5nn[n-]n5)n4)CC3)n2)cs1 ZINC000823742383 606447880 /nfs/dbraw/zinc/44/78/80/606447880.db2.gz DUTAQAFWYMGZDG-UHFFFAOYSA-N -1 1 395.452 1.695 20 0 GDADMM C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820563718 606449689 /nfs/dbraw/zinc/44/96/89/606449689.db2.gz UKFLFVBONHXXSL-SECBINFHSA-N -1 1 393.860 1.760 20 0 GDADMM C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000820563718 606449691 /nfs/dbraw/zinc/44/96/91/606449691.db2.gz UKFLFVBONHXXSL-SECBINFHSA-N -1 1 393.860 1.760 20 0 GDADMM CCOCCCNC(=O)C1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000821378400 606451919 /nfs/dbraw/zinc/45/19/19/606451919.db2.gz NJMPNSDWMFQUPC-UHFFFAOYSA-N -1 1 393.879 1.674 20 0 GDADMM CCOCCCNC(=O)C1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000821378400 606451920 /nfs/dbraw/zinc/45/19/20/606451920.db2.gz NJMPNSDWMFQUPC-UHFFFAOYSA-N -1 1 393.879 1.674 20 0 GDADMM C[C@]1(c2ccc(NC(=O)c3ccc(-c4nnn[n-]4)s3)cc2)NC(=O)NC1=O ZINC000820628460 606526007 /nfs/dbraw/zinc/52/60/07/606526007.db2.gz DJXMJLUVWRXWDR-MRXNPFEDSA-N -1 1 383.393 1.235 20 0 GDADMM C[C@]1(c2ccc(NC(=O)c3ccc(-c4nn[n-]n4)s3)cc2)NC(=O)NC1=O ZINC000820628460 606526008 /nfs/dbraw/zinc/52/60/08/606526008.db2.gz DJXMJLUVWRXWDR-MRXNPFEDSA-N -1 1 383.393 1.235 20 0 GDADMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000823289684 606532954 /nfs/dbraw/zinc/53/29/54/606532954.db2.gz MKPDWIXVWLMNJW-UHFFFAOYSA-N -1 1 391.395 1.278 20 0 GDADMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000823289684 606532955 /nfs/dbraw/zinc/53/29/55/606532955.db2.gz MKPDWIXVWLMNJW-UHFFFAOYSA-N -1 1 391.395 1.278 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000823483276 606554370 /nfs/dbraw/zinc/55/43/70/606554370.db2.gz GFMJUMBVRRWGLO-CQSZACIVSA-N -1 1 384.465 1.420 20 0 GDADMM COc1ccc(CN2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)s3)C2=O)cc1 ZINC000821795291 606563675 /nfs/dbraw/zinc/56/36/75/606563675.db2.gz WZBOIPOIHSYCQW-ZDUSSCGKSA-N -1 1 398.448 1.468 20 0 GDADMM COc1ccc(CN2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)s3)C2=O)cc1 ZINC000821795291 606563677 /nfs/dbraw/zinc/56/36/77/606563677.db2.gz WZBOIPOIHSYCQW-ZDUSSCGKSA-N -1 1 398.448 1.468 20 0 GDADMM CNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccc(-c3nnn[n-]3)s1)CC2 ZINC000821637742 606572758 /nfs/dbraw/zinc/57/27/58/606572758.db2.gz ROCVRWRYDXSEJN-UHFFFAOYSA-N -1 1 390.450 1.039 20 0 GDADMM CNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccc(-c3nn[n-]n3)s1)CC2 ZINC000821637742 606572759 /nfs/dbraw/zinc/57/27/59/606572759.db2.gz ROCVRWRYDXSEJN-UHFFFAOYSA-N -1 1 390.450 1.039 20 0 GDADMM Cc1nsc(N2CCCN(C(=O)c3ccc(-c4nnn[n-]4)s3)CC2)n1 ZINC000822530506 606577829 /nfs/dbraw/zinc/57/78/29/606577829.db2.gz DUDSJDGPWSWEOS-UHFFFAOYSA-N -1 1 376.471 1.441 20 0 GDADMM Cc1nsc(N2CCCN(C(=O)c3ccc(-c4nn[n-]n4)s3)CC2)n1 ZINC000822530506 606577831 /nfs/dbraw/zinc/57/78/31/606577831.db2.gz DUDSJDGPWSWEOS-UHFFFAOYSA-N -1 1 376.471 1.441 20 0 GDADMM C[C@@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000819865406 606607502 /nfs/dbraw/zinc/60/75/02/606607502.db2.gz FEFCENVXJINFPV-SNVBAGLBSA-N -1 1 387.421 1.718 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N(CCO)[C@H]2CCCc3ccccc32)n1 ZINC000822605106 606642882 /nfs/dbraw/zinc/64/28/82/606642882.db2.gz YWKPDKRPMQXZGX-HNNXBMFYSA-N -1 1 382.428 1.504 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N(CCO)[C@H]2CCCc3ccccc32)n1 ZINC000822605106 606642883 /nfs/dbraw/zinc/64/28/83/606642883.db2.gz YWKPDKRPMQXZGX-HNNXBMFYSA-N -1 1 382.428 1.504 20 0 GDADMM C[C@H]1Oc2ccccc2N(CCC(=O)OCc2ccnc(-c3nnn[n-]3)c2)C1=O ZINC000820821403 606646790 /nfs/dbraw/zinc/64/67/90/606646790.db2.gz SSAAWDSUYOHNCD-GFCCVEGCSA-N -1 1 394.391 1.509 20 0 GDADMM C[C@H]1Oc2ccccc2N(CCC(=O)OCc2ccnc(-c3nn[n-]n3)c2)C1=O ZINC000820821403 606646791 /nfs/dbraw/zinc/64/67/91/606646791.db2.gz SSAAWDSUYOHNCD-GFCCVEGCSA-N -1 1 394.391 1.509 20 0 GDADMM C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000819730342 606647480 /nfs/dbraw/zinc/64/74/80/606647480.db2.gz WTIQGLWBFXVKJL-GFCCVEGCSA-N -1 1 376.376 1.820 20 0 GDADMM C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000819730342 606647481 /nfs/dbraw/zinc/64/74/81/606647481.db2.gz WTIQGLWBFXVKJL-GFCCVEGCSA-N -1 1 376.376 1.820 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)C1 ZINC000819933544 606647768 /nfs/dbraw/zinc/64/77/68/606647768.db2.gz VPMZDIWXMCRJEJ-GOSISDBHSA-N -1 1 388.428 1.952 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)C1 ZINC000819933544 606647769 /nfs/dbraw/zinc/64/77/69/606647769.db2.gz VPMZDIWXMCRJEJ-GOSISDBHSA-N -1 1 388.428 1.952 20 0 GDADMM Cc1cc(=O)oc2cc(OCC(=O)OCc3ccnc(-c4nnn[n-]4)c3)ccc12 ZINC000822161591 606648272 /nfs/dbraw/zinc/64/82/72/606648272.db2.gz QMMLPELIFCONKI-UHFFFAOYSA-N -1 1 393.359 1.799 20 0 GDADMM Cc1cc(=O)oc2cc(OCC(=O)OCc3ccnc(-c4nn[n-]n4)c3)ccc12 ZINC000822161591 606648273 /nfs/dbraw/zinc/64/82/73/606648273.db2.gz QMMLPELIFCONKI-UHFFFAOYSA-N -1 1 393.359 1.799 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000823436527 606648503 /nfs/dbraw/zinc/64/85/03/606648503.db2.gz ZQHTWXYRMBWWNA-AWEZNQCLSA-N -1 1 382.355 1.497 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000823436527 606648504 /nfs/dbraw/zinc/64/85/04/606648504.db2.gz ZQHTWXYRMBWWNA-AWEZNQCLSA-N -1 1 382.355 1.497 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@]12CCC(=O)N1c1ccccc1S2 ZINC000823525825 606648650 /nfs/dbraw/zinc/64/86/50/606648650.db2.gz UQIWZUBMTOALTC-GOSISDBHSA-N -1 1 394.416 1.934 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@]12CCC(=O)N1c1ccccc1S2 ZINC000823525825 606648651 /nfs/dbraw/zinc/64/86/51/606648651.db2.gz UQIWZUBMTOALTC-GOSISDBHSA-N -1 1 394.416 1.934 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000823436283 606649228 /nfs/dbraw/zinc/64/92/28/606649228.db2.gz OMWQZJLYAVKVFZ-UHFFFAOYSA-N -1 1 378.348 1.272 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000823436283 606649229 /nfs/dbraw/zinc/64/92/29/606649229.db2.gz OMWQZJLYAVKVFZ-UHFFFAOYSA-N -1 1 378.348 1.272 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)C1=NN(c2ccccc2)C(=O)CC1 ZINC000823436371 606650851 /nfs/dbraw/zinc/65/08/51/606650851.db2.gz RYSSPVJSNCDVCI-UHFFFAOYSA-N -1 1 377.364 1.488 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)C1=NN(c2ccccc2)C(=O)CC1 ZINC000823436371 606650852 /nfs/dbraw/zinc/65/08/52/606650852.db2.gz RYSSPVJSNCDVCI-UHFFFAOYSA-N -1 1 377.364 1.488 20 0 GDADMM COC(=O)c1cn(CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)c2ccccc12 ZINC000821671128 606652763 /nfs/dbraw/zinc/65/27/63/606652763.db2.gz JFGMLYXQPGEEOJ-UHFFFAOYSA-N -1 1 392.375 1.746 20 0 GDADMM COC(=O)c1cn(CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)c2ccccc12 ZINC000821671128 606652764 /nfs/dbraw/zinc/65/27/64/606652764.db2.gz JFGMLYXQPGEEOJ-UHFFFAOYSA-N -1 1 392.375 1.746 20 0 GDADMM CCCCC(=O)N1CSC[C@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000821040483 606653133 /nfs/dbraw/zinc/65/31/33/606653133.db2.gz MFVALDQRZWMKJV-ZDUSSCGKSA-N -1 1 376.442 1.397 20 0 GDADMM CCCCC(=O)N1CSC[C@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000821040483 606653134 /nfs/dbraw/zinc/65/31/34/606653134.db2.gz MFVALDQRZWMKJV-ZDUSSCGKSA-N -1 1 376.442 1.397 20 0 GDADMM O=C(O[C@@H]1CCN(c2c(F)cccc2F)C1=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000823392620 606752919 /nfs/dbraw/zinc/75/29/19/606752919.db2.gz QXNMVDURMIPILZ-CYBMUJFWSA-N -1 1 386.318 1.502 20 0 GDADMM O=C(O[C@@H]1CCN(c2c(F)cccc2F)C1=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000823392620 606752920 /nfs/dbraw/zinc/75/29/20/606752920.db2.gz QXNMVDURMIPILZ-CYBMUJFWSA-N -1 1 386.318 1.502 20 0 GDADMM CCOC(=O)C[C@H](C)NC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000821326220 606756954 /nfs/dbraw/zinc/75/69/54/606756954.db2.gz VLLYIZHAUCPEKL-VIFPVBQESA-N -1 1 390.469 1.933 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCC1=CCCCC1 ZINC000820789165 606762858 /nfs/dbraw/zinc/76/28/58/606762858.db2.gz WUVVRMQDILGHSW-AWEZNQCLSA-N -1 1 397.487 1.767 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCC1=CCCCC1 ZINC000820789165 606762860 /nfs/dbraw/zinc/76/28/60/606762860.db2.gz WUVVRMQDILGHSW-AWEZNQCLSA-N -1 1 397.487 1.767 20 0 GDADMM Cc1cc(NS(=O)(=O)c2ccc(F)cc2-c2nn[nH]n2)ccc1C(=O)[O-] ZINC000822209596 606764242 /nfs/dbraw/zinc/76/42/42/606764242.db2.gz PHDSTCJYASOZIV-UHFFFAOYSA-N -1 1 377.357 1.813 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1nc(-c2ccoc2)no1 ZINC000820804579 606780470 /nfs/dbraw/zinc/78/04/70/606780470.db2.gz VKBZYJPAMUJZMU-LLVKDONJSA-N -1 1 394.399 1.010 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1nc(-c2ccoc2)no1 ZINC000820804579 606780471 /nfs/dbraw/zinc/78/04/71/606780471.db2.gz VKBZYJPAMUJZMU-LLVKDONJSA-N -1 1 394.399 1.010 20 0 GDADMM Cc1cc(C(=O)CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c(C)n1C ZINC000822160347 606786286 /nfs/dbraw/zinc/78/62/86/606786286.db2.gz GWYBFNDMXGYDGK-ZDUSSCGKSA-N -1 1 395.471 1.005 20 0 GDADMM Cc1cc(C(=O)CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c(C)n1C ZINC000822160347 606786288 /nfs/dbraw/zinc/78/62/88/606786288.db2.gz GWYBFNDMXGYDGK-ZDUSSCGKSA-N -1 1 395.471 1.005 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCc1ccsc1 ZINC000820789132 606786740 /nfs/dbraw/zinc/78/67/40/606786740.db2.gz WALDDDSLYYSUTG-NSHDSACASA-N -1 1 385.457 1.139 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCc1ccsc1 ZINC000820789132 606786742 /nfs/dbraw/zinc/78/67/42/606786742.db2.gz WALDDDSLYYSUTG-NSHDSACASA-N -1 1 385.457 1.139 20 0 GDADMM C[C@@H]1CCC[C@@H](NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)C1 ZINC000820697466 606788232 /nfs/dbraw/zinc/78/82/32/606788232.db2.gz HQYTVCUMBKFOMW-MGPQQGTHSA-N -1 1 385.476 1.456 20 0 GDADMM C[C@@H]1CCC[C@@H](NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)C1 ZINC000820697466 606788233 /nfs/dbraw/zinc/78/82/33/606788233.db2.gz HQYTVCUMBKFOMW-MGPQQGTHSA-N -1 1 385.476 1.456 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1nc2ccccc2s1 ZINC000820803766 606806668 /nfs/dbraw/zinc/80/66/68/606806668.db2.gz GZBYRAOAMGNHLZ-NSHDSACASA-N -1 1 379.453 1.982 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1nc2ccccc2s1 ZINC000820803766 606806669 /nfs/dbraw/zinc/80/66/69/606806669.db2.gz GZBYRAOAMGNHLZ-NSHDSACASA-N -1 1 379.453 1.982 20 0 GDADMM COc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c(C)c1 ZINC000821769738 606820502 /nfs/dbraw/zinc/82/05/02/606820502.db2.gz KIVAVZOIBDGYLJ-ZDUSSCGKSA-N -1 1 394.439 1.325 20 0 GDADMM COc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c(C)c1 ZINC000821769738 606820504 /nfs/dbraw/zinc/82/05/04/606820504.db2.gz KIVAVZOIBDGYLJ-ZDUSSCGKSA-N -1 1 394.439 1.325 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc2ccsc2[nH]1 ZINC000820788461 606821873 /nfs/dbraw/zinc/82/18/73/606821873.db2.gz HQMGIVHDVRBNNH-JTQLQIEISA-N -1 1 395.452 1.550 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc2ccsc2[nH]1 ZINC000820788461 606821874 /nfs/dbraw/zinc/82/18/74/606821874.db2.gz HQMGIVHDVRBNNH-JTQLQIEISA-N -1 1 395.452 1.550 20 0 GDADMM Cc1ccccc1CCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000822356089 606825354 /nfs/dbraw/zinc/82/53/54/606825354.db2.gz JFOPQVMOFCFUHN-OAHLLOKOSA-N -1 1 392.467 1.635 20 0 GDADMM Cc1ccccc1CCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000822356089 606825356 /nfs/dbraw/zinc/82/53/56/606825356.db2.gz JFOPQVMOFCFUHN-OAHLLOKOSA-N -1 1 392.467 1.635 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NC[C@H]1CC=CCC1 ZINC000820788272 606833023 /nfs/dbraw/zinc/83/30/23/606833023.db2.gz BXQPKOFOKJLDFQ-KGLIPLIRSA-N -1 1 383.460 1.233 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NC[C@H]1CC=CCC1 ZINC000820788272 606833024 /nfs/dbraw/zinc/83/30/24/606833024.db2.gz BXQPKOFOKJLDFQ-KGLIPLIRSA-N -1 1 383.460 1.233 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCC(OCC2CC2)CC1 ZINC000823600697 606845974 /nfs/dbraw/zinc/84/59/74/606845974.db2.gz KREKALDGTTYONL-UHFFFAOYSA-N -1 1 381.433 1.586 20 0 GDADMM CCO[C@H]1C[C@@H](N(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C12CCC2 ZINC000821359613 606875171 /nfs/dbraw/zinc/87/51/71/606875171.db2.gz OFGFPMROFRXCCM-KGLIPLIRSA-N -1 1 395.460 1.974 20 0 GDADMM CCO[C@H]1C[C@@H](N(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C12CCC2 ZINC000821359613 606875172 /nfs/dbraw/zinc/87/51/72/606875172.db2.gz OFGFPMROFRXCCM-KGLIPLIRSA-N -1 1 395.460 1.974 20 0 GDADMM CC[C@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1ccncc1 ZINC000820925062 606891588 /nfs/dbraw/zinc/89/15/88/606891588.db2.gz COZKVCHTWAABQZ-ZDUSSCGKSA-N -1 1 380.380 1.970 20 0 GDADMM O=S(=O)(N[C@@H]1COc2c1cccc2Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000823572652 606897983 /nfs/dbraw/zinc/89/79/83/606897983.db2.gz KBKXVBQIQUZGCN-GFCCVEGCSA-N -1 1 378.801 1.327 20 0 GDADMM O=S(=O)(N[C@@H]1COc2c1cccc2Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000823572652 606897985 /nfs/dbraw/zinc/89/79/85/606897985.db2.gz KBKXVBQIQUZGCN-GFCCVEGCSA-N -1 1 378.801 1.327 20 0 GDADMM CCc1nnc(Sc2nnnn2-c2ccccc2)c(-c2nn[n-]n2)c1CC ZINC000821548770 606910331 /nfs/dbraw/zinc/91/03/31/606910331.db2.gz XNDSICAKPDNODD-UHFFFAOYSA-N -1 1 380.441 1.908 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000823482857 606937305 /nfs/dbraw/zinc/93/73/05/606937305.db2.gz AYVRGEDQFHRZPI-KBPBESRZSA-N -1 1 385.449 1.893 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000823482857 606937306 /nfs/dbraw/zinc/93/73/06/606937306.db2.gz AYVRGEDQFHRZPI-KBPBESRZSA-N -1 1 385.449 1.893 20 0 GDADMM CS(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccc(-c3nnn[n-]3)s1)CCO2 ZINC000821938242 606943447 /nfs/dbraw/zinc/94/34/47/606943447.db2.gz ZXSXDHPWCVLTHB-UHFFFAOYSA-N -1 1 391.434 1.371 20 0 GDADMM CS(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccc(-c3nn[n-]n3)s1)CCO2 ZINC000821938242 606943449 /nfs/dbraw/zinc/94/34/49/606943449.db2.gz ZXSXDHPWCVLTHB-UHFFFAOYSA-N -1 1 391.434 1.371 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)OC[C@@H]2COC(=O)O2)c1-c1nnn[n-]1 ZINC000821988676 606944897 /nfs/dbraw/zinc/94/48/97/606944897.db2.gz GJEAGXFQFXVLNT-MRVPVSSYSA-N -1 1 377.382 1.553 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)OC[C@@H]2COC(=O)O2)c1-c1nn[n-]n1 ZINC000821988676 606944899 /nfs/dbraw/zinc/94/48/99/606944899.db2.gz GJEAGXFQFXVLNT-MRVPVSSYSA-N -1 1 377.382 1.553 20 0 GDADMM Cc1noc(CCCOC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)n1 ZINC000822528044 606945393 /nfs/dbraw/zinc/94/53/93/606945393.db2.gz QFTJLPSJKCLWBM-UHFFFAOYSA-N -1 1 387.400 1.384 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC000823536239 606979848 /nfs/dbraw/zinc/97/98/48/606979848.db2.gz XQRZHDBVTSSJNQ-UHFFFAOYSA-N -1 1 397.826 1.400 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC000823536239 606979849 /nfs/dbraw/zinc/97/98/49/606979849.db2.gz XQRZHDBVTSSJNQ-UHFFFAOYSA-N -1 1 397.826 1.400 20 0 GDADMM CCNc1ccc(-c2nn[nH]n2)cc1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000821309939 607032925 /nfs/dbraw/zinc/03/29/25/607032925.db2.gz UOCVSYRBFHITIL-UHFFFAOYSA-N -1 1 394.438 1.859 20 0 GDADMM CC(C)CO[C@H]1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000820096927 607050536 /nfs/dbraw/zinc/05/05/36/607050536.db2.gz IKELUQUJRSXYCW-NSHDSACASA-N -1 1 385.877 1.956 20 0 GDADMM CC(C)CO[C@H]1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000820096927 607050538 /nfs/dbraw/zinc/05/05/38/607050538.db2.gz IKELUQUJRSXYCW-NSHDSACASA-N -1 1 385.877 1.956 20 0 GDADMM CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000819802453 607104044 /nfs/dbraw/zinc/10/40/44/607104044.db2.gz BWYOCTYNKCXMCK-ZDUSSCGKSA-N -1 1 396.436 1.490 20 0 GDADMM CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000819802453 607104045 /nfs/dbraw/zinc/10/40/45/607104045.db2.gz BWYOCTYNKCXMCK-ZDUSSCGKSA-N -1 1 396.436 1.490 20 0 GDADMM CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ncc(-c3nnn[n-]3)s2)c1 ZINC000821936608 607104916 /nfs/dbraw/zinc/10/49/16/607104916.db2.gz CCYCMFDEDAIAHY-UHFFFAOYSA-N -1 1 384.830 1.632 20 0 GDADMM CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ncc(-c3nn[n-]n3)s2)c1 ZINC000821936608 607104918 /nfs/dbraw/zinc/10/49/18/607104918.db2.gz CCYCMFDEDAIAHY-UHFFFAOYSA-N -1 1 384.830 1.632 20 0 GDADMM COCCN(CC(=O)Nc1ncc(-c2nnn[n-]2)s1)C(=O)OC(C)(C)C ZINC000821689199 607104950 /nfs/dbraw/zinc/10/49/50/607104950.db2.gz PDHSTRXGXVWOSE-UHFFFAOYSA-N -1 1 383.434 1.145 20 0 GDADMM COCCN(CC(=O)Nc1ncc(-c2nn[n-]n2)s1)C(=O)OC(C)(C)C ZINC000821689199 607104951 /nfs/dbraw/zinc/10/49/51/607104951.db2.gz PDHSTRXGXVWOSE-UHFFFAOYSA-N -1 1 383.434 1.145 20 0 GDADMM COc1ccc([C@@H](CC(=O)Nc2ncc(-c3nnn[n-]3)s2)NC(C)=O)cc1 ZINC000821778071 607107916 /nfs/dbraw/zinc/10/79/16/607107916.db2.gz SVWCVEBBNCQNLV-GFCCVEGCSA-N -1 1 387.425 1.538 20 0 GDADMM COc1ccc([C@@H](CC(=O)Nc2ncc(-c3nn[n-]n3)s2)NC(C)=O)cc1 ZINC000821778071 607107917 /nfs/dbraw/zinc/10/79/17/607107917.db2.gz SVWCVEBBNCQNLV-GFCCVEGCSA-N -1 1 387.425 1.538 20 0 GDADMM O=C(CSc1[nH]c(=O)cc(C(F)(F)F)c1-c1nn[n-]n1)OCCCF ZINC000823060493 607112617 /nfs/dbraw/zinc/11/26/17/607112617.db2.gz DVOXDLSYFOTWNP-UHFFFAOYSA-N -1 1 381.311 1.981 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000823126904 607206109 /nfs/dbraw/zinc/20/61/09/607206109.db2.gz NFHCTCHSGGOBMM-JTQLQIEISA-N -1 1 376.833 1.465 20 0 GDADMM CC[C@H](C)[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1nc2ccccc2[nH]1 ZINC000820859473 607208931 /nfs/dbraw/zinc/20/89/31/607208931.db2.gz DZABNUGTAGSSJY-IINYFYTJSA-N -1 1 380.416 1.238 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000823123199 607209185 /nfs/dbraw/zinc/20/91/85/607209185.db2.gz RQBPGXXKFBDQNK-SNVBAGLBSA-N -1 1 390.810 1.484 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccccc1OC[C@@H]1CCCCO1 ZINC000823136176 607211088 /nfs/dbraw/zinc/21/10/88/607211088.db2.gz NJEXJCPWFMKMDU-LBPRGKRZSA-N -1 1 384.400 1.045 20 0 GDADMM CN(CCCc1cc(-c2ccccc2)no1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821600182 607212557 /nfs/dbraw/zinc/21/25/57/607212557.db2.gz BANIHUVPQMUXCY-UHFFFAOYSA-N -1 1 393.411 1.204 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccc(OCc2cscn2)c1 ZINC000823136218 607213245 /nfs/dbraw/zinc/21/32/45/607213245.db2.gz OVJLZXKHHJUJTC-UHFFFAOYSA-N -1 1 383.397 1.132 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000823126980 607213879 /nfs/dbraw/zinc/21/38/79/607213879.db2.gz PTXHXJADOCAAKX-UHFFFAOYSA-N -1 1 392.345 1.325 20 0 GDADMM CCc1ccc(-c2csc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)n2)s1 ZINC000821476349 607214856 /nfs/dbraw/zinc/21/48/56/607214856.db2.gz MWDXUYTZYQQASD-UHFFFAOYSA-N -1 1 387.454 1.844 20 0 GDADMM Cc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1NC(=O)C(C)(C)C ZINC000822248696 607216046 /nfs/dbraw/zinc/21/60/46/607216046.db2.gz JATYDYZXURVSST-UHFFFAOYSA-N -1 1 383.416 1.390 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1nc2ccccc2n1C1CCCC1 ZINC000823136002 607219002 /nfs/dbraw/zinc/21/90/02/607219002.db2.gz FJWRWAXXSVCTGO-UHFFFAOYSA-N -1 1 378.400 1.562 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cc(Cc2ccccc2)ccc1O ZINC000823131945 607234700 /nfs/dbraw/zinc/23/47/00/607234700.db2.gz RTJDXCOOFSKSJD-UHFFFAOYSA-N -1 1 376.380 1.393 20 0 GDADMM COc1cc(C)cc(CNC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)c1 ZINC000826178229 607781022 /nfs/dbraw/zinc/78/10/22/607781022.db2.gz OUVYKWUTVTULFH-UHFFFAOYSA-N -1 1 386.437 1.936 20 0 GDADMM CC(C)Oc1cc(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)ccn1 ZINC000824319216 607791228 /nfs/dbraw/zinc/79/12/28/607791228.db2.gz JIMSSFJNQBAKIG-UHFFFAOYSA-N -1 1 392.416 1.667 20 0 GDADMM Cc1cnccc1CCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826319589 607852977 /nfs/dbraw/zinc/85/29/77/607852977.db2.gz JOHIHCGPKWGCGX-UHFFFAOYSA-N -1 1 378.845 1.745 20 0 GDADMM Cc1cnccc1CCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826319589 607852978 /nfs/dbraw/zinc/85/29/78/607852978.db2.gz JOHIHCGPKWGCGX-UHFFFAOYSA-N -1 1 378.845 1.745 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CC[C@@H](C2CCOCC2)C1 ZINC000826496358 607853219 /nfs/dbraw/zinc/85/32/19/607853219.db2.gz SYCPYIKTETXUNX-GFCCVEGCSA-N -1 1 381.433 1.443 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CC[C@@H](C2CCOCC2)C1 ZINC000826496358 607853220 /nfs/dbraw/zinc/85/32/20/607853220.db2.gz SYCPYIKTETXUNX-GFCCVEGCSA-N -1 1 381.433 1.443 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N(C)CCc2ncc(C)s2)cc1-c1nn[n-]n1 ZINC000826229861 607868802 /nfs/dbraw/zinc/86/88/02/607868802.db2.gz UMRTUWYFGNMMBR-UHFFFAOYSA-N -1 1 391.482 1.769 20 0 GDADMM Cc1noc(C)c1CCOC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000826338640 607914476 /nfs/dbraw/zinc/91/44/76/607914476.db2.gz CCYVHKZWKWHXIX-UHFFFAOYSA-N -1 1 386.412 1.907 20 0 GDADMM CN1C(=O)C[C@H](C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])[C@H]1c1ccc(F)cc1 ZINC000826010505 607999435 /nfs/dbraw/zinc/99/94/35/607999435.db2.gz LGVCBBSLVHHJJR-SUMWQHHRSA-N -1 1 396.382 1.870 20 0 GDADMM COC(=O)[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(Cl)c(F)c1 ZINC000826111371 608008613 /nfs/dbraw/zinc/00/86/13/608008613.db2.gz DIZGLQKDAWGUSB-ZDUSSCGKSA-N -1 1 390.762 1.698 20 0 GDADMM COC(=O)[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(Cl)c(F)c1 ZINC000826111371 608008614 /nfs/dbraw/zinc/00/86/14/608008614.db2.gz DIZGLQKDAWGUSB-ZDUSSCGKSA-N -1 1 390.762 1.698 20 0 GDADMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000826425354 608012973 /nfs/dbraw/zinc/01/29/73/608012973.db2.gz ZGUWZZLZDZPGCF-UHFFFAOYSA-N -1 1 380.412 1.374 20 0 GDADMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000826425354 608012974 /nfs/dbraw/zinc/01/29/74/608012974.db2.gz ZGUWZZLZDZPGCF-UHFFFAOYSA-N -1 1 380.412 1.374 20 0 GDADMM COc1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)ncc1Br ZINC000826180315 608103313 /nfs/dbraw/zinc/10/33/13/608103313.db2.gz BIYYXVBPSPCWLM-UHFFFAOYSA-N -1 1 376.174 1.680 20 0 GDADMM COc1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)ncc1Br ZINC000826180315 608103314 /nfs/dbraw/zinc/10/33/14/608103314.db2.gz BIYYXVBPSPCWLM-UHFFFAOYSA-N -1 1 376.174 1.680 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCc1noc(C2CC2)n1 ZINC000826232832 608156334 /nfs/dbraw/zinc/15/63/34/608156334.db2.gz KHRRYHTZZOWLOW-UHFFFAOYSA-N -1 1 384.400 1.094 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@@H](CCO)C2CCCCC2)cc1-c1nn[n-]n1 ZINC000826229659 608204783 /nfs/dbraw/zinc/20/47/83/608204783.db2.gz MKLLFVVHSRAHRM-ZDUSSCGKSA-N -1 1 392.485 1.750 20 0 GDADMM C[C@H]1CCC[C@H](OCC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1 ZINC000824925085 608210648 /nfs/dbraw/zinc/21/06/48/608210648.db2.gz ALRWGRVGZPDJJI-RYUDHWBXSA-N -1 1 376.465 1.158 20 0 GDADMM C[C@H]1CCC[C@H](OCC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C1 ZINC000824925085 608210651 /nfs/dbraw/zinc/21/06/51/608210651.db2.gz ALRWGRVGZPDJJI-RYUDHWBXSA-N -1 1 376.465 1.158 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Cc1cc(F)ccc1F ZINC000825930725 608211628 /nfs/dbraw/zinc/21/16/28/608211628.db2.gz XKVJHHCLPUOXGR-UHFFFAOYSA-N -1 1 376.371 1.084 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Cc1cc(F)ccc1F ZINC000825930725 608211630 /nfs/dbraw/zinc/21/16/30/608211630.db2.gz XKVJHHCLPUOXGR-UHFFFAOYSA-N -1 1 376.371 1.084 20 0 GDADMM CN(C)S(=O)(=O)c1ccc(COc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000825875267 608226933 /nfs/dbraw/zinc/22/69/33/608226933.db2.gz HUCKYYGYLQAIEQ-UHFFFAOYSA-N -1 1 377.401 1.835 20 0 GDADMM CN(C)S(=O)(=O)c1ccc(COc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000825875267 608226934 /nfs/dbraw/zinc/22/69/34/608226934.db2.gz HUCKYYGYLQAIEQ-UHFFFAOYSA-N -1 1 377.401 1.835 20 0 GDADMM CC(C)N(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824288416 608240369 /nfs/dbraw/zinc/24/03/69/608240369.db2.gz FESLFHUGJSIJRQ-UHFFFAOYSA-N -1 1 399.448 1.747 20 0 GDADMM COc1ccc([C@@H](OC)[C@H](C)NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000826189479 608266008 /nfs/dbraw/zinc/26/60/08/608266008.db2.gz WRSIHURAVBOWRC-HZMBPMFUSA-N -1 1 386.416 1.507 20 0 GDADMM COc1ccc([C@@H](OC)[C@H](C)NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000826189479 608266009 /nfs/dbraw/zinc/26/60/09/608266009.db2.gz WRSIHURAVBOWRC-HZMBPMFUSA-N -1 1 386.416 1.507 20 0 GDADMM O=S(=O)(NC[C@@H]1COC2(CCCC2)O1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826490761 608304730 /nfs/dbraw/zinc/30/47/30/608304730.db2.gz GTQFRLHNLSCCKZ-SNVBAGLBSA-N -1 1 399.860 1.484 20 0 GDADMM O=S(=O)(NC[C@@H]1COC2(CCCC2)O1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826490761 608304732 /nfs/dbraw/zinc/30/47/32/608304732.db2.gz GTQFRLHNLSCCKZ-SNVBAGLBSA-N -1 1 399.860 1.484 20 0 GDADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826223507 608336223 /nfs/dbraw/zinc/33/62/23/608336223.db2.gz OXQFESWELWCBOL-UHFFFAOYSA-N -1 1 376.373 1.630 20 0 GDADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1ccc(-c2nn[nH]n2)s1 ZINC000826223736 608336971 /nfs/dbraw/zinc/33/69/71/608336971.db2.gz YFOXJXVMLXAMKP-UHFFFAOYSA-N -1 1 382.402 1.691 20 0 GDADMM CC(C)OCCCN(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824315436 608354041 /nfs/dbraw/zinc/35/40/41/608354041.db2.gz NOCVHEYLZVBJBS-UHFFFAOYSA-N -1 1 392.464 1.030 20 0 GDADMM CC(C)OCCCN(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824315436 608354043 /nfs/dbraw/zinc/35/40/43/608354043.db2.gz NOCVHEYLZVBJBS-UHFFFAOYSA-N -1 1 392.464 1.030 20 0 GDADMM COCc1nnc(N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)s1 ZINC000826165634 608365521 /nfs/dbraw/zinc/36/55/21/608365521.db2.gz CRCWQFQLMQETDP-UHFFFAOYSA-N -1 1 389.445 1.057 20 0 GDADMM O=C(Cc1ccc(Cl)cc1)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826422793 608400877 /nfs/dbraw/zinc/40/08/77/608400877.db2.gz MGSYCXVHOKPMIM-UHFFFAOYSA-N -1 1 384.831 1.201 20 0 GDADMM O=C(Cc1ccc(Cl)cc1)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826422793 608400878 /nfs/dbraw/zinc/40/08/78/608400878.db2.gz MGSYCXVHOKPMIM-UHFFFAOYSA-N -1 1 384.831 1.201 20 0 GDADMM CC(C)NS(=O)(=O)Cc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000824305951 608404602 /nfs/dbraw/zinc/40/46/02/608404602.db2.gz XZTPVAXEDDCIBJ-UHFFFAOYSA-N -1 1 388.457 1.097 20 0 GDADMM CC(C)NS(=O)(=O)Cc1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000824305951 608404603 /nfs/dbraw/zinc/40/46/03/608404603.db2.gz XZTPVAXEDDCIBJ-UHFFFAOYSA-N -1 1 388.457 1.097 20 0 GDADMM CNC(=O)c1cc(Oc2cccc(Oc3ccc(-c4nnn[n-]4)nn3)c2)ccn1 ZINC000826067109 608440831 /nfs/dbraw/zinc/44/08/31/608440831.db2.gz BPKWQEQEBSYZQF-UHFFFAOYSA-N -1 1 390.363 1.996 20 0 GDADMM CNC(=O)c1cc(Oc2cccc(Oc3ccc(-c4nn[n-]n4)nn3)c2)ccn1 ZINC000826067109 608440833 /nfs/dbraw/zinc/44/08/33/608440833.db2.gz BPKWQEQEBSYZQF-UHFFFAOYSA-N -1 1 390.363 1.996 20 0 GDADMM C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000824756853 608441178 /nfs/dbraw/zinc/44/11/78/608441178.db2.gz QSKRDXUFJJHXGY-SECBINFHSA-N -1 1 387.318 1.246 20 0 GDADMM O=C(c1c(Cl)cc(-c2nn[nH]n2)cc1Cl)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000826468681 608554775 /nfs/dbraw/zinc/55/47/75/608554775.db2.gz CSEMVFFZVDZVJP-SSDOTTSWSA-N -1 1 394.226 1.706 20 0 GDADMM CCC(CC)n1ccc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)n1 ZINC000825113790 608558056 /nfs/dbraw/zinc/55/80/56/608558056.db2.gz GGEONXPDQPZGSM-UHFFFAOYSA-N -1 1 386.464 1.434 20 0 GDADMM CCC(CC)n1ccc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)n1 ZINC000825113790 608558058 /nfs/dbraw/zinc/55/80/58/608558058.db2.gz GGEONXPDQPZGSM-UHFFFAOYSA-N -1 1 386.464 1.434 20 0 GDADMM COC(=O)[C@H]1CCCC[C@@]1(C)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826132397 608589056 /nfs/dbraw/zinc/58/90/56/608589056.db2.gz DUTMZAXZPRQJNN-MLGOLLRUSA-N -1 1 397.432 1.406 20 0 GDADMM C[C@@H](CCO)C1(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCC1 ZINC000824406400 608589555 /nfs/dbraw/zinc/58/95/55/608589555.db2.gz IYVAWTRCWITNGK-NSHDSACASA-N -1 1 383.449 1.473 20 0 GDADMM CC1(C)[C@@H]2CC[C@]13CS(=O)(=O)N(C(=O)c1ccc(-c4nnn[n-]4)s1)[C@@H]3C2 ZINC000824816825 609154639 /nfs/dbraw/zinc/15/46/39/609154639.db2.gz IQMCEYBVJUXVKN-VYROHLMNSA-N -1 1 393.494 1.909 20 0 GDADMM CC1(C)[C@@H]2CC[C@]13CS(=O)(=O)N(C(=O)c1ccc(-c4nn[n-]n4)s1)[C@@H]3C2 ZINC000824816825 609154640 /nfs/dbraw/zinc/15/46/40/609154640.db2.gz IQMCEYBVJUXVKN-VYROHLMNSA-N -1 1 393.494 1.909 20 0 GDADMM CC(C)(O)C(C)(C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824167793 609179912 /nfs/dbraw/zinc/17/99/12/609179912.db2.gz VMJVHWQSINHUFA-UHFFFAOYSA-N -1 1 393.391 1.713 20 0 GDADMM CC(C)C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCO1 ZINC000824242697 609181110 /nfs/dbraw/zinc/18/11/10/609181110.db2.gz AJFMVXJIAHBWRH-QWHCGFSZSA-N -1 1 383.449 1.878 20 0 GDADMM CC(=O)N[C@@H](C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C(C)C ZINC000823989283 609286515 /nfs/dbraw/zinc/28/65/15/609286515.db2.gz SACFIHYUQNSISW-OAHLLOKOSA-N -1 1 386.391 1.291 20 0 GDADMM CC[C@H]1CCCC[C@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825194230 609300089 /nfs/dbraw/zinc/30/00/89/609300089.db2.gz POJJYLGZMFUPPL-NWDGAFQWSA-N -1 1 375.481 1.715 20 0 GDADMM CC[C@H]1CCCC[C@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825194230 609300091 /nfs/dbraw/zinc/30/00/91/609300091.db2.gz POJJYLGZMFUPPL-NWDGAFQWSA-N -1 1 375.481 1.715 20 0 GDADMM C[C@@H](COc1ccccc1)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824450699 609300428 /nfs/dbraw/zinc/30/04/28/609300428.db2.gz YHBXLQOVFAMDIU-LBPRGKRZSA-N -1 1 399.459 1.214 20 0 GDADMM C[C@@H](COc1ccccc1)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824450699 609300429 /nfs/dbraw/zinc/30/04/29/609300429.db2.gz YHBXLQOVFAMDIU-LBPRGKRZSA-N -1 1 399.459 1.214 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@H]1CCCc2occc21 ZINC000825929831 609301148 /nfs/dbraw/zinc/30/11/48/609301148.db2.gz LCKXOPMCLSFKJL-NSHDSACASA-N -1 1 385.432 1.417 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@H]1CCCc2occc21 ZINC000825929831 609301150 /nfs/dbraw/zinc/30/11/50/609301150.db2.gz LCKXOPMCLSFKJL-NSHDSACASA-N -1 1 385.432 1.417 20 0 GDADMM C[C@@H](CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccccc1 ZINC000824400181 609302358 /nfs/dbraw/zinc/30/23/58/609302358.db2.gz BQBVKKVGYVLSGG-ZDUSSCGKSA-N -1 1 397.487 1.940 20 0 GDADMM C[C@@H](CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccccc1 ZINC000824400181 609302359 /nfs/dbraw/zinc/30/23/59/609302359.db2.gz BQBVKKVGYVLSGG-ZDUSSCGKSA-N -1 1 397.487 1.940 20 0 GDADMM CC[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccncc1 ZINC000825133230 609303942 /nfs/dbraw/zinc/30/39/42/609303942.db2.gz LQFNSUSTABTAOU-LBPRGKRZSA-N -1 1 384.448 1.292 20 0 GDADMM CC[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccncc1 ZINC000825133230 609303945 /nfs/dbraw/zinc/30/39/45/609303945.db2.gz LQFNSUSTABTAOU-LBPRGKRZSA-N -1 1 384.448 1.292 20 0 GDADMM COC[C@H](CNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1)OC ZINC000826149271 609311940 /nfs/dbraw/zinc/31/19/40/609311940.db2.gz DOGRKZGBFZNCID-JTQLQIEISA-N -1 1 378.458 1.252 20 0 GDADMM CCc1nn(C)cc1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825763014 609313098 /nfs/dbraw/zinc/31/30/98/609313098.db2.gz MYXALUVTOKQFDW-UHFFFAOYSA-N -1 1 381.375 1.740 20 0 GDADMM CN(C)c1ncc(CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cn1 ZINC000825883939 609319797 /nfs/dbraw/zinc/31/97/97/609319797.db2.gz QUKPOEOVDRLHLU-UHFFFAOYSA-N -1 1 380.391 1.660 20 0 GDADMM COC[C@@H]1CCCN1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826153112 609356069 /nfs/dbraw/zinc/35/60/69/609356069.db2.gz BTDCALRVCBTCOB-NSHDSACASA-N -1 1 386.391 1.834 20 0 GDADMM C[C@@H]1COCCCN1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825007461 609357982 /nfs/dbraw/zinc/35/79/82/609357982.db2.gz ZDTHKSRPWNWGOH-LLVKDONJSA-N -1 1 386.391 1.834 20 0 GDADMM CN(CCn1cccn1)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825950116 609363190 /nfs/dbraw/zinc/36/31/90/609363190.db2.gz JGNIXUPNDOOQCR-UHFFFAOYSA-N -1 1 396.390 1.552 20 0 GDADMM Cn1ccnc1CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826364128 609364405 /nfs/dbraw/zinc/36/44/05/609364405.db2.gz LWNSVWJANIQQJC-UHFFFAOYSA-N -1 1 382.363 1.247 20 0 GDADMM CC1(C)C[C@@H]1CNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824796501 609366177 /nfs/dbraw/zinc/36/61/77/609366177.db2.gz PJTSTSUIXYTSEL-SNVBAGLBSA-N -1 1 398.402 1.292 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CCC[C@@H]2[C@@H]2CCCC2=O)cc1-c1nn[n-]n1 ZINC000826229349 609395345 /nfs/dbraw/zinc/39/53/45/609395345.db2.gz AQYYMVRMMHVPGW-JOYOIKCWSA-N -1 1 388.453 1.663 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@H](CO)c2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000826229591 609406166 /nfs/dbraw/zinc/40/61/66/609406166.db2.gz JWVLEFDJNZTPBM-GFCCVEGCSA-N -1 1 390.400 1.292 20 0 GDADMM Cn1cc(C(=O)C[C@H]2CCCN2c2snc(Cl)c2-c2nnn[n-]2)cn1 ZINC000826358566 609428578 /nfs/dbraw/zinc/42/85/78/609428578.db2.gz YUVOTYVNGFLMJE-SECBINFHSA-N -1 1 378.849 1.952 20 0 GDADMM Cn1cc(C(=O)C[C@H]2CCCN2c2snc(Cl)c2-c2nn[n-]n2)cn1 ZINC000826358566 609428580 /nfs/dbraw/zinc/42/85/80/609428580.db2.gz YUVOTYVNGFLMJE-SECBINFHSA-N -1 1 378.849 1.952 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1-c1nn[n-]n1 ZINC000826344896 609468593 /nfs/dbraw/zinc/46/85/93/609468593.db2.gz VZBRQDYKKNWZIL-NSHDSACASA-N -1 1 383.416 1.107 20 0 GDADMM CC(C)c1nc([C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)s3)CCO2)no1 ZINC000824359587 609502141 /nfs/dbraw/zinc/50/21/41/609502141.db2.gz XFHTYQIZLKHIDO-VIFPVBQESA-N -1 1 375.414 1.648 20 0 GDADMM CC(C)c1nc([C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)s3)CCO2)no1 ZINC000824359587 609502143 /nfs/dbraw/zinc/50/21/43/609502143.db2.gz XFHTYQIZLKHIDO-VIFPVBQESA-N -1 1 375.414 1.648 20 0 GDADMM O=C1[C@@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CCCN1Cc1ccccn1 ZINC000826478079 609594040 /nfs/dbraw/zinc/59/40/40/609594040.db2.gz TZYXDUQLQFLKLL-ZDUSSCGKSA-N -1 1 384.831 1.913 20 0 GDADMM O=C1[C@@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CCCN1Cc1ccccn1 ZINC000826478079 609594041 /nfs/dbraw/zinc/59/40/41/609594041.db2.gz TZYXDUQLQFLKLL-ZDUSSCGKSA-N -1 1 384.831 1.913 20 0 GDADMM O=C(N[C@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826430190 609601234 /nfs/dbraw/zinc/60/12/34/609601234.db2.gz WCXYPXVMMNEVQX-LBPRGKRZSA-N -1 1 383.437 1.244 20 0 GDADMM O=C(N[C@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826430190 609601236 /nfs/dbraw/zinc/60/12/36/609601236.db2.gz WCXYPXVMMNEVQX-LBPRGKRZSA-N -1 1 383.437 1.244 20 0 GDADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC2CCC2)c(OC)c1 ZINC000534883685 650234083 /nfs/dbraw/zinc/23/40/83/650234083.db2.gz HRDLZIBVERISHW-UHFFFAOYSA-N -1 1 376.500 1.925 20 0 GDADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1cccc(S(C)(=O)=O)c1 ZINC000536936905 650284350 /nfs/dbraw/zinc/28/43/50/650284350.db2.gz ODEJLAFKKYTICF-UHFFFAOYSA-N -1 1 386.426 1.853 20 0 GDADMM CN(CC(=O)N1CCC[C@@H](c2nn[n-]n2)C1)C(=O)c1ccc(Br)o1 ZINC000537126452 650287330 /nfs/dbraw/zinc/28/73/30/650287330.db2.gz SPWAWAWERRUVRC-SECBINFHSA-N -1 1 397.233 1.033 20 0 GDADMM CC(C)(NC(=O)c1ccc(S(C)(=O)=O)c(Br)c1)c1nn[n-]n1 ZINC000538785366 650322478 /nfs/dbraw/zinc/32/24/78/650322478.db2.gz ONTNFUDKAKYFEJ-UHFFFAOYSA-N -1 1 388.247 1.031 20 0 GDADMM CO[C@H]1CCC[C@@H]1CNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000539223151 650331249 /nfs/dbraw/zinc/33/12/49/650331249.db2.gz KYFWOCBRUVCQRW-MFKMUULPSA-N -1 1 380.463 1.291 20 0 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-1 1 398.467 1.977 20 0 GDADMM CCc1ncsc1C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571261838 945431105 /nfs/dbraw/zinc/43/11/05/945431105.db2.gz KATJVMPNGIEAIK-MGCOHNPYSA-N -1 1 385.457 1.296 20 0 GDADMM CCc1ncsc1C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571261838 945431107 /nfs/dbraw/zinc/43/11/07/945431107.db2.gz KATJVMPNGIEAIK-MGCOHNPYSA-N -1 1 385.457 1.296 20 0 GDADMM CCc1nc(N[C@H]2C[C@H](C)N(C(=O)c3cscn3)C2)cc(-c2nnn[n-]2)n1 ZINC001571262076 945433564 /nfs/dbraw/zinc/43/35/64/945433564.db2.gz MZYAWPXINVHISY-UWVGGRQHSA-N -1 1 385.457 1.391 20 0 GDADMM CCc1nc(N[C@H]2C[C@H](C)N(C(=O)c3cscn3)C2)cc(-c2nn[n-]n2)n1 ZINC001571262076 945433566 /nfs/dbraw/zinc/43/35/66/945433566.db2.gz MZYAWPXINVHISY-UWVGGRQHSA-N -1 1 385.457 1.391 20 0 GDADMM CCc1nc(N[C@@H]2CCCN(C(=O)c3ccns3)C2)cc(-c2nnn[n-]2)n1 ZINC001571262171 945434647 /nfs/dbraw/zinc/43/46/47/945434647.db2.gz NNTOBNRCVNATPH-SNVBAGLBSA-N -1 1 385.457 1.392 20 0 GDADMM CCc1nc(N[C@@H]2CCCN(C(=O)c3ccns3)C2)cc(-c2nn[n-]n2)n1 ZINC001571262171 945434650 /nfs/dbraw/zinc/43/46/50/945434650.db2.gz NNTOBNRCVNATPH-SNVBAGLBSA-N -1 1 385.457 1.392 20 0 GDADMM C[C@@H]1CN(C(=O)c2nccs2)C[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001571262341 945437850 /nfs/dbraw/zinc/43/78/50/945437850.db2.gz PPDKZENKOTXQSH-GHMZBOCLSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@@H]1CN(C(=O)c2nccs2)C[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001571262341 945437857 /nfs/dbraw/zinc/43/78/57/945437857.db2.gz PPDKZENKOTXQSH-GHMZBOCLSA-N -1 1 385.457 1.324 20 0 GDADMM CC[C@@H]1CN(C(=O)c2cscn2)CC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571262557 945439852 /nfs/dbraw/zinc/43/98/52/945439852.db2.gz UPAJQOHRMIYENM-GHMZBOCLSA-N -1 1 385.457 1.466 20 0 GDADMM CC[C@@H]1CN(C(=O)c2cscn2)CC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571262557 945439861 /nfs/dbraw/zinc/43/98/61/945439861.db2.gz UPAJQOHRMIYENM-GHMZBOCLSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)Cc1cncs1 ZINC001571262764 945441509 /nfs/dbraw/zinc/44/15/09/945441509.db2.gz XCPOTOWJWXFKKF-WDEREUQCSA-N -1 1 385.457 1.147 20 0 GDADMM C[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)Cc1cncs1 ZINC001571262764 945441516 /nfs/dbraw/zinc/44/15/16/945441516.db2.gz XCPOTOWJWXFKKF-WDEREUQCSA-N -1 1 385.457 1.147 20 0 GDADMM Cc1nscc1C(=O)N[C@@H]1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571263572 945461687 /nfs/dbraw/zinc/46/16/87/945461687.db2.gz UGADSYIFOVAJQI-GHMZBOCLSA-N -1 1 385.457 1.575 20 0 GDADMM Cc1nscc1C(=O)N[C@@H]1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571263572 945461693 /nfs/dbraw/zinc/46/16/93/945461693.db2.gz UGADSYIFOVAJQI-GHMZBOCLSA-N -1 1 385.457 1.575 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCCCN2C(=O)c2ccns2)n1 ZINC001571263726 945465376 /nfs/dbraw/zinc/46/53/76/945465376.db2.gz XJQKREJMTHSWIS-NSHDSACASA-N -1 1 385.457 1.528 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCCCN2C(=O)c2ccns2)n1 ZINC001571263726 945465379 /nfs/dbraw/zinc/46/53/79/945465379.db2.gz XJQKREJMTHSWIS-NSHDSACASA-N -1 1 385.457 1.528 20 0 GDADMM Cc1nsc(N[C@@H]2CN(C(=O)c3ccnc(C)n3)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571263694 945465797 /nfs/dbraw/zinc/46/57/97/945465797.db2.gz WWUMWOZJXMXAIP-PRHODGIISA-N -1 1 385.457 1.303 20 0 GDADMM CN(c1nccnc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)c2ccc(Cl)cn2)C1 ZINC001571265610 945516913 /nfs/dbraw/zinc/51/69/13/945516913.db2.gz MNMZMZWOTFBDDH-LLVKDONJSA-N -1 1 385.819 1.056 20 0 GDADMM CN(c1nccnc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)c2ccc(Cl)cn2)C1 ZINC001571265610 945516922 /nfs/dbraw/zinc/51/69/22/945516922.db2.gz MNMZMZWOTFBDDH-LLVKDONJSA-N -1 1 385.819 1.056 20 0 GDADMM O=C(Cc1ccc(F)c(F)c1)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571267037 945559751 /nfs/dbraw/zinc/55/97/51/945559751.db2.gz HHJMHQZOCKRMBX-PHIMTYICSA-N -1 1 386.366 1.237 20 0 GDADMM O=C(Cc1ccc(F)c(F)c1)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571267037 945559760 /nfs/dbraw/zinc/55/97/60/945559760.db2.gz HHJMHQZOCKRMBX-PHIMTYICSA-N -1 1 386.366 1.237 20 0 GDADMM O=C(c1c(F)cccc1F)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571267573 945572985 /nfs/dbraw/zinc/57/29/85/945572985.db2.gz YWQGANWZKKZTIV-JTQLQIEISA-N -1 1 386.366 1.509 20 0 GDADMM O=C(c1c(F)cccc1F)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571267573 945572992 /nfs/dbraw/zinc/57/29/92/945572992.db2.gz YWQGANWZKKZTIV-JTQLQIEISA-N -1 1 386.366 1.509 20 0 GDADMM CCS(=O)(=O)c1ccccc1CCNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001571268544 945598876 /nfs/dbraw/zinc/59/88/76/945598876.db2.gz GYFKAKQCULQYOF-UHFFFAOYSA-N -1 1 386.437 1.028 20 0 GDADMM CCS(=O)(=O)c1ccccc1CCNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001571268544 945598881 /nfs/dbraw/zinc/59/88/81/945598881.db2.gz GYFKAKQCULQYOF-UHFFFAOYSA-N -1 1 386.437 1.028 20 0 GDADMM C[C@H](Nc1nccnc1-c1nnn[n-]1)[C@H]1CCCCN1C(=O)c1n[nH]cc1F ZINC001571268787 945604340 /nfs/dbraw/zinc/60/43/40/945604340.db2.gz XFNCBRJOHMUEAP-GXSJLCMTSA-N -1 1 386.395 1.014 20 0 GDADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)[C@H]1CCCCN1C(=O)c1n[nH]cc1F ZINC001571268787 945604346 /nfs/dbraw/zinc/60/43/46/945604346.db2.gz XFNCBRJOHMUEAP-GXSJLCMTSA-N -1 1 386.395 1.014 20 0 GDADMM O=C([C@H]1CC[C@@H](F)C1)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571269173 945614177 /nfs/dbraw/zinc/61/41/77/945614177.db2.gz RCFJCAPFYKWSKF-RFQIPJPRSA-N -1 1 386.435 1.365 20 0 GDADMM O=C([C@H]1CC[C@@H](F)C1)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571269173 945614183 /nfs/dbraw/zinc/61/41/83/945614183.db2.gz RCFJCAPFYKWSKF-RFQIPJPRSA-N -1 1 386.435 1.365 20 0 GDADMM CC(C)C(=O)c1ccc(S(=O)(=O)NCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001571269408 945619990 /nfs/dbraw/zinc/61/99/90/945619990.db2.gz XNTBBELMEDMCTB-UHFFFAOYSA-N -1 1 386.437 1.579 20 0 GDADMM CC(C)C(=O)c1ccc(S(=O)(=O)NCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001571269408 945619996 /nfs/dbraw/zinc/61/99/96/945619996.db2.gz XNTBBELMEDMCTB-UHFFFAOYSA-N -1 1 386.437 1.579 20 0 GDADMM COc1ccc2c(c1)OC[C@H](NC(=O)NCc1ccc(-c3nn[n-]n3)s1)C2 ZINC001571269700 945623063 /nfs/dbraw/zinc/62/30/63/945623063.db2.gz CLCURKKAJUGFOY-LLVKDONJSA-N -1 1 386.437 1.740 20 0 GDADMM CSc1cc(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)ncn1 ZINC001571269903 945627650 /nfs/dbraw/zinc/62/76/50/945627650.db2.gz HMUAVHMHBKUZKB-UHFFFAOYSA-N -1 1 386.441 1.667 20 0 GDADMM COc1ccsc1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001571270559 945636800 /nfs/dbraw/zinc/63/68/00/945636800.db2.gz VBMQIYGVHJRXAN-ZJUUUORDSA-N -1 1 386.441 1.124 20 0 GDADMM COc1ccsc1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001571270559 945636808 /nfs/dbraw/zinc/63/68/08/945636808.db2.gz VBMQIYGVHJRXAN-ZJUUUORDSA-N -1 1 386.441 1.124 20 0 GDADMM COc1csc(C(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C[C@@H]2C)c1 ZINC001571270574 945638658 /nfs/dbraw/zinc/63/86/58/945638658.db2.gz VLAKHACIMTVXSL-VHSXEESVSA-N -1 1 386.441 1.442 20 0 GDADMM COc1csc(C(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C[C@@H]2C)c1 ZINC001571270574 945638664 /nfs/dbraw/zinc/63/86/64/945638664.db2.gz VLAKHACIMTVXSL-VHSXEESVSA-N -1 1 386.441 1.442 20 0 GDADMM O=C(C[C@H]1CCOC1)N1CCC[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571272603 945667385 /nfs/dbraw/zinc/66/73/85/945667385.db2.gz FXETZTMDBHBESJ-ZIAGYGMSSA-N -1 1 386.460 1.124 20 0 GDADMM O=C(C[C@H]1CCOC1)N1CCC[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571272603 945667392 /nfs/dbraw/zinc/66/73/92/945667392.db2.gz FXETZTMDBHBESJ-ZIAGYGMSSA-N -1 1 386.460 1.124 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC2CCN(C(=O)[C@@H]3CCO[C@H](C)C3)CC2)n1 ZINC001571272883 945673538 /nfs/dbraw/zinc/67/35/38/945673538.db2.gz KAAQDAYEEKUCRH-CHWSQXEVSA-N -1 1 386.460 1.183 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC2CCN(C(=O)[C@@H]3CCO[C@H](C)C3)CC2)n1 ZINC001571272883 945673545 /nfs/dbraw/zinc/67/35/45/945673545.db2.gz KAAQDAYEEKUCRH-CHWSQXEVSA-N -1 1 386.460 1.183 20 0 GDADMM CCc1nc(N[C@H]2C[C@H](NC(=O)[C@H]3CCO[C@H](C)C3)C2)cc(-c2nnn[n-]2)n1 ZINC001571272906 945674053 /nfs/dbraw/zinc/67/40/53/945674053.db2.gz KPWZLAUHSHCGIO-YVECIDJPSA-N -1 1 386.460 1.093 20 0 GDADMM CCc1nc(N[C@H]2C[C@H](NC(=O)[C@H]3CCO[C@H](C)C3)C2)cc(-c2nn[n-]n2)n1 ZINC001571272906 945674059 /nfs/dbraw/zinc/67/40/59/945674059.db2.gz KPWZLAUHSHCGIO-YVECIDJPSA-N -1 1 386.460 1.093 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCCCN2C(=O)[C@@H]2CCCCO2)n1 ZINC001571272970 945675139 /nfs/dbraw/zinc/67/51/39/945675139.db2.gz LYIFBBZORMIPJI-ZFWWWQNUSA-N -1 1 386.460 1.327 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCCCN2C(=O)[C@@H]2CCCCO2)n1 ZINC001571272970 945675146 /nfs/dbraw/zinc/67/51/46/945675146.db2.gz LYIFBBZORMIPJI-ZFWWWQNUSA-N -1 1 386.460 1.327 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCCN(C(=O)[C@H]3CCCOCC3)C2)n1 ZINC001571273439 945687643 /nfs/dbraw/zinc/68/76/43/945687643.db2.gz XNQLBVMXGVHCEL-KBPBESRZSA-N -1 1 386.460 1.185 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCCN(C(=O)[C@H]3CCCOCC3)C2)n1 ZINC001571273439 945687654 /nfs/dbraw/zinc/68/76/54/945687654.db2.gz XNQLBVMXGVHCEL-KBPBESRZSA-N -1 1 386.460 1.185 20 0 GDADMM O=C(CC1(O)CCC1)N1CCCCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571273541 945689565 /nfs/dbraw/zinc/68/95/65/945689565.db2.gz ZMABYFPPADQGMZ-CYBMUJFWSA-N -1 1 386.460 1.145 20 0 GDADMM O=C(CC1(O)CCC1)N1CCCCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571273541 945689570 /nfs/dbraw/zinc/68/95/70/945689570.db2.gz ZMABYFPPADQGMZ-CYBMUJFWSA-N -1 1 386.460 1.145 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCC1CCOCC1 ZINC001571275739 945714544 /nfs/dbraw/zinc/71/45/44/945714544.db2.gz BQQFBIIHZOPCFX-JSGCOSHPSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCC1CCOCC1 ZINC001571275739 945714551 /nfs/dbraw/zinc/71/45/51/945714551.db2.gz BQQFBIIHZOPCFX-JSGCOSHPSA-N -1 1 386.460 1.265 20 0 GDADMM CC[C@H](OC1CCCC1)C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571275892 945718114 /nfs/dbraw/zinc/71/81/14/945718114.db2.gz FBXLYBQHJVPJLY-JSGCOSHPSA-N -1 1 386.460 1.407 20 0 GDADMM CC[C@H](OC1CCCC1)C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571275892 945718123 /nfs/dbraw/zinc/71/81/23/945718123.db2.gz FBXLYBQHJVPJLY-JSGCOSHPSA-N -1 1 386.460 1.407 20 0 GDADMM CC[C@H](OC1CCCC1)C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571275893 945719172 /nfs/dbraw/zinc/71/91/72/945719172.db2.gz FBXLYBQHJVPJLY-OCCSQVGLSA-N -1 1 386.460 1.407 20 0 GDADMM CC[C@H](OC1CCCC1)C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571275893 945719178 /nfs/dbraw/zinc/71/91/78/945719178.db2.gz FBXLYBQHJVPJLY-OCCSQVGLSA-N -1 1 386.460 1.407 20 0 GDADMM Cc1ccc(C(=O)CCC(=O)CCC(=O)Nc2n[nH]cc2-c2nnn[n-]2)s1 ZINC001571278817 945762560 /nfs/dbraw/zinc/76/25/60/945762560.db2.gz CRSQGXDZPGFIMK-UHFFFAOYSA-N -1 1 387.425 1.911 20 0 GDADMM Cc1ccc(C(=O)CCC(=O)CCC(=O)Nc2n[nH]cc2-c2nn[n-]n2)s1 ZINC001571278817 945762569 /nfs/dbraw/zinc/76/25/69/945762569.db2.gz CRSQGXDZPGFIMK-UHFFFAOYSA-N -1 1 387.425 1.911 20 0 GDADMM C[C@@H](C(=O)NCc1ccnc(-c2nnn[n-]2)c1)N(C(=O)OC(C)(C)C)C1CC1 ZINC001571279150 945771561 /nfs/dbraw/zinc/77/15/61/945771561.db2.gz KBIXAMWUYGCZOC-NSHDSACASA-N -1 1 387.444 1.666 20 0 GDADMM C[C@@H](C(=O)NCc1ccnc(-c2nn[n-]n2)c1)N(C(=O)OC(C)(C)C)C1CC1 ZINC001571279150 945771566 /nfs/dbraw/zinc/77/15/66/945771566.db2.gz KBIXAMWUYGCZOC-NSHDSACASA-N -1 1 387.444 1.666 20 0 GDADMM Cc1nsc(N(C)[C@@H]2CCN(C(=O)CCc3ccoc3)C2)c1-c1nn[n-]n1 ZINC001571281282 945801811 /nfs/dbraw/zinc/80/18/11/945801811.db2.gz GHOURIOMCDZQOZ-CYBMUJFWSA-N -1 1 387.469 1.895 20 0 GDADMM CCn1ncc(C(=O)N[C@H]2CCN(c3snc(C)c3-c3nn[n-]n3)C2)c1C ZINC001571281397 945803597 /nfs/dbraw/zinc/80/35/97/945803597.db2.gz HVNQPYNBCNVRMA-NSHDSACASA-N -1 1 387.473 1.165 20 0 GDADMM CCn1cc(C(=O)N[C@@H]2CCCN(c3snc(C)c3-c3nn[n-]n3)C2)cn1 ZINC001571281567 945807376 /nfs/dbraw/zinc/80/73/76/945807376.db2.gz IUKGTKSANMMOMJ-GFCCVEGCSA-N -1 1 387.473 1.247 20 0 GDADMM Cc1nn(C)cc1C(=O)N[C@]1(C)CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571282268 945836046 /nfs/dbraw/zinc/83/60/46/945836046.db2.gz WGBCYRNISYZOSQ-MRXNPFEDSA-N -1 1 387.473 1.072 20 0 GDADMM Cc1nsc(NC[C@@H]2CCCCN2C(=O)c2ccnn2C)c1-c1nn[n-]n1 ZINC001571282421 945842599 /nfs/dbraw/zinc/84/25/99/945842599.db2.gz XXTXIJTTWFOXJD-NSHDSACASA-N -1 1 387.473 1.472 20 0 GDADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@@H](C)c1noc(COC(C)C)n1 ZINC001571285641 945922811 /nfs/dbraw/zinc/92/28/11/945922811.db2.gz KNQMJQRMLCAKAF-VIFPVBQESA-N -1 1 388.388 1.075 20 0 GDADMM O=C(c1ccc(Cl)[nH]1)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571286058 945934862 /nfs/dbraw/zinc/93/48/62/945934862.db2.gz WTWDUGREBYZVQN-JTQLQIEISA-N -1 1 387.835 1.745 20 0 GDADMM O=C(c1ccc(Cl)[nH]1)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571286058 945934875 /nfs/dbraw/zinc/93/48/75/945934875.db2.gz WTWDUGREBYZVQN-JTQLQIEISA-N -1 1 387.835 1.745 20 0 GDADMM C[C@@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(F)s1 ZINC001571286681 945955327 /nfs/dbraw/zinc/95/53/27/945955327.db2.gz ONRCLLDQDRYTCV-ZJUUUORDSA-N -1 1 388.432 1.384 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ccc(F)s2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571286823 945959623 /nfs/dbraw/zinc/95/96/23/945959623.db2.gz SNBSQAJILXBMPK-ZJUUUORDSA-N -1 1 388.432 1.645 20 0 GDADMM CC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)[C@H]2CCC[C@H](F)C2)CC1 ZINC001571287403 945972100 /nfs/dbraw/zinc/97/21/00/945972100.db2.gz CYPABJFEKIWIPQ-STQMWFEESA-N -1 1 388.451 1.400 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001571288888 945994157 /nfs/dbraw/zinc/99/41/57/945994157.db2.gz UDDBRPNJVXHWOT-GVSKICRLSA-N -1 1 388.435 1.302 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001571288888 945994164 /nfs/dbraw/zinc/99/41/64/945994164.db2.gz UDDBRPNJVXHWOT-GVSKICRLSA-N -1 1 388.435 1.302 20 0 GDADMM CC(C)(F)C(=O)N1CCCC[C@H]1[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571289195 945998990 /nfs/dbraw/zinc/99/89/90/945998990.db2.gz WZDZLYHRUYOIKQ-KBPBESRZSA-N -1 1 388.451 1.755 20 0 GDADMM CC(C)(F)C(=O)N1CCCC[C@H]1[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571289195 945998996 /nfs/dbraw/zinc/99/89/96/945998996.db2.gz WZDZLYHRUYOIKQ-KBPBESRZSA-N -1 1 388.451 1.755 20 0 GDADMM O=C([C@H]1CC[C@H](F)C1)N1CCC(CCNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571289578 946012497 /nfs/dbraw/zinc/01/24/97/946012497.db2.gz ICSGFCQFTUKMGX-KBPBESRZSA-N -1 1 388.451 1.836 20 0 GDADMM O=C([C@H]1CC[C@H](F)C1)N1CCC(CCNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571289578 946012504 /nfs/dbraw/zinc/01/25/04/946012504.db2.gz ICSGFCQFTUKMGX-KBPBESRZSA-N -1 1 388.451 1.836 20 0 GDADMM CCC(C)(CC)C(=O)N1CCO[C@H]([C@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571289780 946017879 /nfs/dbraw/zinc/01/78/79/946017879.db2.gz MIMGGPQWGPBGNJ-JSGCOSHPSA-N -1 1 388.476 1.511 20 0 GDADMM CCC(C)(CC)C(=O)N1CCO[C@H]([C@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571289780 946017891 /nfs/dbraw/zinc/01/78/91/946017891.db2.gz MIMGGPQWGPBGNJ-JSGCOSHPSA-N -1 1 388.476 1.511 20 0 GDADMM O=C([C@@H](F)CC1CCCCC1)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571289824 946020450 /nfs/dbraw/zinc/02/04/50/946020450.db2.gz NETXDAJLJZOFKB-KBPBESRZSA-N -1 1 388.451 1.978 20 0 GDADMM O=C([C@@H](F)CC1CCCCC1)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571289824 946020459 /nfs/dbraw/zinc/02/04/59/946020459.db2.gz NETXDAJLJZOFKB-KBPBESRZSA-N -1 1 388.451 1.978 20 0 GDADMM CC[C@@H](F)C(=O)N1CCC2(CC1)CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571289975 946025759 /nfs/dbraw/zinc/02/57/59/946025759.db2.gz RLVVULIVOUCDDT-CYBMUJFWSA-N -1 1 388.451 1.614 20 0 GDADMM CC[C@@H](F)C(=O)N1CCC2(CC1)CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001571289975 946025769 /nfs/dbraw/zinc/02/57/69/946025769.db2.gz RLVVULIVOUCDDT-CYBMUJFWSA-N -1 1 388.451 1.614 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccc(Cl)cc1F ZINC001571290811 946058084 /nfs/dbraw/zinc/05/80/84/946058084.db2.gz PWLUOACETYTBOV-MGCOHNPYSA-N -1 1 388.794 1.244 20 0 GDADMM O=C([C@@H]1CC1(F)F)N1CCC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001571294279 946129559 /nfs/dbraw/zinc/12/95/59/946129559.db2.gz DAMCRRWQYJIVST-ZBEGNZNMSA-N -1 1 390.398 1.131 20 0 GDADMM O=C([C@@H]1CC1(F)F)N1CCC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001571294279 946129565 /nfs/dbraw/zinc/12/95/65/946129565.db2.gz DAMCRRWQYJIVST-ZBEGNZNMSA-N -1 1 390.398 1.131 20 0 GDADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@@H]1CCN(C(=O)c2coc(C(F)F)c2)C1 ZINC001571294423 946134205 /nfs/dbraw/zinc/13/42/05/946134205.db2.gz FMIRBTDIFZMGHY-SNVBAGLBSA-N -1 1 390.354 1.538 20 0 GDADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)c2coc(C(F)F)c2)C1 ZINC001571294423 946134211 /nfs/dbraw/zinc/13/42/11/946134211.db2.gz FMIRBTDIFZMGHY-SNVBAGLBSA-N -1 1 390.354 1.538 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)n1 ZINC000822605026 946136630 /nfs/dbraw/zinc/13/66/30/946136630.db2.gz VFUVFKNEDGLPKH-AWEZNQCLSA-N -1 1 382.428 1.813 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)n1 ZINC000822605026 946136635 /nfs/dbraw/zinc/13/66/35/946136635.db2.gz VFUVFKNEDGLPKH-AWEZNQCLSA-N -1 1 382.428 1.813 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1coc(C(F)F)c1 ZINC001571294617 946140471 /nfs/dbraw/zinc/14/04/71/946140471.db2.gz KDMYJZGPNQJWEE-WCBMZHEXSA-N -1 1 390.354 1.902 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1coc(C(F)F)c1 ZINC001571294617 946140478 /nfs/dbraw/zinc/14/04/78/946140478.db2.gz KDMYJZGPNQJWEE-WCBMZHEXSA-N -1 1 390.354 1.902 20 0 GDADMM O=C(N[C@@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2)[C@@H]1CCC1(F)F ZINC001571295330 946159474 /nfs/dbraw/zinc/15/94/74/946159474.db2.gz XZQOSHLDGDEUIE-WDEREUQCSA-N -1 1 390.398 1.177 20 0 GDADMM O=C(N[C@@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2)[C@@H]1CCC1(F)F ZINC001571295330 946159480 /nfs/dbraw/zinc/15/94/80/946159480.db2.gz XZQOSHLDGDEUIE-WDEREUQCSA-N -1 1 390.398 1.177 20 0 GDADMM CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1snc(C)c1-c1nn[n-]n1 ZINC001571295511 946167146 /nfs/dbraw/zinc/16/71/46/946167146.db2.gz WBGBCLFKUMQQFH-UHXUPSOCSA-N -1 1 389.485 1.236 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)[C@H]1CCCc2ccccc21 ZINC001571298093 946205577 /nfs/dbraw/zinc/20/55/77/946205577.db2.gz JHKGYUJVCBTYMD-DZKIICNBSA-N -1 1 390.451 1.258 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@]3(CCN(c4cnc(-c5nnn[n-]5)cn4)C3)C2)c1 ZINC001571298627 946224417 /nfs/dbraw/zinc/22/44/17/946224417.db2.gz IAOJCWYYXAZABY-FQEVSTJZSA-N -1 1 390.451 1.708 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@]3(CCN(c4cnc(-c5nn[n-]n5)cn4)C3)C2)c1 ZINC001571298627 946224432 /nfs/dbraw/zinc/22/44/32/946224432.db2.gz IAOJCWYYXAZABY-FQEVSTJZSA-N -1 1 390.451 1.708 20 0 GDADMM CC[C@H](SC)C(=O)N1CC[C@@H](C)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571298683 946225925 /nfs/dbraw/zinc/22/59/25/946225925.db2.gz CFLFGEFDBBBOTO-DYEKYZERSA-N -1 1 390.517 1.837 20 0 GDADMM CC[C@H](SC)C(=O)N1CC[C@@H](C)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571298683 946225937 /nfs/dbraw/zinc/22/59/37/946225937.db2.gz CFLFGEFDBBBOTO-DYEKYZERSA-N -1 1 390.517 1.837 20 0 GDADMM Cc1ccccc1CCC(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1 ZINC001571298949 946235249 /nfs/dbraw/zinc/23/52/49/946235249.db2.gz MIPDMNRBPADJMF-HOTGVXAUSA-N -1 1 390.451 1.387 20 0 GDADMM Cc1ccccc1CCC(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1 ZINC001571298949 946235258 /nfs/dbraw/zinc/23/52/58/946235258.db2.gz MIPDMNRBPADJMF-HOTGVXAUSA-N -1 1 390.451 1.387 20 0 GDADMM CN(c1nccnc1-c1nnn[n-]1)[C@H]1CCN(C(=O)c2csc(Cl)c2)C1 ZINC001571300188 946275206 /nfs/dbraw/zinc/27/52/06/946275206.db2.gz WJEZANUSBGTGFK-JTQLQIEISA-N -1 1 390.860 1.723 20 0 GDADMM CN(c1nccnc1-c1nn[n-]n1)[C@H]1CCN(C(=O)c2csc(Cl)c2)C1 ZINC001571300188 946275213 /nfs/dbraw/zinc/27/52/13/946275213.db2.gz WJEZANUSBGTGFK-JTQLQIEISA-N -1 1 390.860 1.723 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H]3CC[C@@H](C2)N3C(=O)c2ccccn2)n1 ZINC001571302815 946315084 /nfs/dbraw/zinc/31/50/84/946315084.db2.gz DFDBMXFDGQXJLN-KGLIPLIRSA-N -1 1 391.439 1.244 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H]3CC[C@@H](C2)N3C(=O)c2ccccn2)n1 ZINC001571302815 946315096 /nfs/dbraw/zinc/31/50/96/946315096.db2.gz DFDBMXFDGQXJLN-KGLIPLIRSA-N -1 1 391.439 1.244 20 0 GDADMM O=C(c1cccnc1)N1CCC2(C1)CCN(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001571303453 946336187 /nfs/dbraw/zinc/33/61/87/946336187.db2.gz RBXSEMBXDDMRRA-UHFFFAOYSA-N -1 1 391.439 1.184 20 0 GDADMM O=C(c1cccnc1)N1CCC2(C1)CCN(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001571303453 946336197 /nfs/dbraw/zinc/33/61/97/946336197.db2.gz RBXSEMBXDDMRRA-UHFFFAOYSA-N -1 1 391.439 1.184 20 0 GDADMM Cc1nsc(N[C@@H](C)[C@H]2CCN(C(=O)CC3(O)CCC3)C2)c1-c1nn[n-]n1 ZINC001571305600 946369654 /nfs/dbraw/zinc/36/96/54/946369654.db2.gz HAEALIVZENUIOP-JQWIXIFHSA-N -1 1 391.501 1.586 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H](Nc3nc(Cl)c(-c4nnn[n-]4)s3)C2)cnn1 ZINC001571305989 946382077 /nfs/dbraw/zinc/38/20/77/946382077.db2.gz NLKABHIHHMHHPD-VIFPVBQESA-N -1 1 391.848 1.402 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H](Nc3nc(Cl)c(-c4nn[n-]n4)s3)C2)cnn1 ZINC001571305989 946382088 /nfs/dbraw/zinc/38/20/88/946382088.db2.gz NLKABHIHHMHHPD-VIFPVBQESA-N -1 1 391.848 1.402 20 0 GDADMM C[C@@H]1[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCN1C(=O)c1cnccn1 ZINC001571306227 946391947 /nfs/dbraw/zinc/39/19/47/946391947.db2.gz QUTMFFKNNFINBJ-SFYZADRCSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCN1C(=O)c1cnccn1 ZINC001571306227 946391958 /nfs/dbraw/zinc/39/19/58/946391958.db2.gz QUTMFFKNNFINBJ-SFYZADRCSA-N -1 1 391.848 1.482 20 0 GDADMM Cc1nsc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC[C@H](F)C2)c1-c1nn[n-]n1 ZINC001571307002 946414352 /nfs/dbraw/zinc/41/43/52/946414352.db2.gz STHKRRCBMSMZMK-ZXPJVPCYSA-N -1 1 391.476 1.711 20 0 GDADMM CC1(C)CC[C@H](CNC(=O)[C@@H]2CC2(F)F)N(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571307238 946420271 /nfs/dbraw/zinc/42/02/71/946420271.db2.gz AMJISAMXLIQKQP-MNOVXSKESA-N -1 1 392.414 1.423 20 0 GDADMM CC1(C)CC[C@H](CNC(=O)[C@@H]2CC2(F)F)N(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571307238 946420276 /nfs/dbraw/zinc/42/02/76/946420276.db2.gz AMJISAMXLIQKQP-MNOVXSKESA-N -1 1 392.414 1.423 20 0 GDADMM CN(C[C@@H]1CCCN1C(=O)C1(C)CC(F)(F)C1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571308057 946428557 /nfs/dbraw/zinc/42/85/57/946428557.db2.gz KVAXHRBFKFAJRW-NSHDSACASA-N -1 1 392.414 1.519 20 0 GDADMM CN(C[C@@H]1CCCN1C(=O)C1(C)CC(F)(F)C1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571308057 946428565 /nfs/dbraw/zinc/42/85/65/946428565.db2.gz KVAXHRBFKFAJRW-NSHDSACASA-N -1 1 392.414 1.519 20 0 GDADMM CC(F)(F)C1(C(=O)N2CC[C@](C)(CNc3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001571308607 946435776 /nfs/dbraw/zinc/43/57/76/946435776.db2.gz SHORRTZAIJIGRZ-OAHLLOKOSA-N -1 1 392.414 1.743 20 0 GDADMM CC(F)(F)C1(C(=O)N2CC[C@](C)(CNc3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571308607 946435785 /nfs/dbraw/zinc/43/57/85/946435785.db2.gz SHORRTZAIJIGRZ-OAHLLOKOSA-N -1 1 392.414 1.743 20 0 GDADMM CC1(C(=O)N2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C(C)(C)C2)CC(F)(F)C1 ZINC001571309195 946441900 /nfs/dbraw/zinc/44/19/00/946441900.db2.gz XJVZLYIAENKTSA-JTQLQIEISA-N -1 1 392.414 1.163 20 0 GDADMM Cc1nsc(N[C@H]2CCN(C(=O)c3c(F)cncc3F)C2)c1-c1nn[n-]n1 ZINC001571309344 946441916 /nfs/dbraw/zinc/44/19/16/946441916.db2.gz XVGVRMFOVDMYGY-QMMMGPOBSA-N -1 1 392.395 1.631 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)[C@H]1CCCCC1(F)F ZINC001571309597 946449697 /nfs/dbraw/zinc/44/96/97/946449697.db2.gz FHQNZIHSHWGAQN-GRYCIOLGSA-N -1 1 392.414 1.789 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)[C@H]1CCCCC1(F)F ZINC001571309597 946449706 /nfs/dbraw/zinc/44/97/06/946449706.db2.gz FHQNZIHSHWGAQN-GRYCIOLGSA-N -1 1 392.414 1.789 20 0 GDADMM O=C(N[C@@H]1CCCN(C(=O)Nc2cccc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001571309770 946453175 /nfs/dbraw/zinc/45/31/75/946453175.db2.gz KDQLRFATYDJEGQ-CQSZACIVSA-N -1 1 392.423 1.688 20 0 GDADMM O=C(N[C@@H]1CCCN(C(=O)Nc2cccc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001571309770 946453186 /nfs/dbraw/zinc/45/31/86/946453186.db2.gz KDQLRFATYDJEGQ-CQSZACIVSA-N -1 1 392.423 1.688 20 0 GDADMM C[C@H]1Cc2cc(C(=O)N3CC[C@@H](Nc4cnc(-c5nnn[n-]5)cn4)C3)ccc2O1 ZINC001571310160 946463192 /nfs/dbraw/zinc/46/31/92/946463192.db2.gz XDFRBVORIUWZTA-SMDDNHRTSA-N -1 1 392.423 1.307 20 0 GDADMM C[C@H]1Cc2cc(C(=O)N3CC[C@@H](Nc4cnc(-c5nn[n-]n5)cn4)C3)ccc2O1 ZINC001571310160 946463193 /nfs/dbraw/zinc/46/31/93/946463193.db2.gz XDFRBVORIUWZTA-SMDDNHRTSA-N -1 1 392.423 1.307 20 0 GDADMM CC(=O)N[C@@H]1C[C@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)Oc2ccccc21 ZINC001571310136 946463601 /nfs/dbraw/zinc/46/36/01/946463601.db2.gz WEXIOECSBGMGAA-KUHUBIRLSA-N -1 1 392.423 1.266 20 0 GDADMM CC(=O)N[C@@H]1C[C@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)Oc2ccccc21 ZINC001571310136 946463609 /nfs/dbraw/zinc/46/36/09/946463609.db2.gz WEXIOECSBGMGAA-KUHUBIRLSA-N -1 1 392.423 1.266 20 0 GDADMM CC1(C)CN(c2ccc(-c3nnn[n-]3)nn2)CC[C@H]1NC(=O)C1C=CC=CC=C1 ZINC001571313342 946518813 /nfs/dbraw/zinc/51/88/13/946518813.db2.gz NALHUTPGVOEPIQ-MRXNPFEDSA-N -1 1 392.467 1.676 20 0 GDADMM CC1(C)CN(c2ccc(-c3nn[n-]n3)nn2)CC[C@H]1NC(=O)C1C=CC=CC=C1 ZINC001571313342 946518823 /nfs/dbraw/zinc/51/88/23/946518823.db2.gz NALHUTPGVOEPIQ-MRXNPFEDSA-N -1 1 392.467 1.676 20 0 GDADMM CC(=O)Nc1ccc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)cc1Cl ZINC000823999724 946539464 /nfs/dbraw/zinc/53/94/64/946539464.db2.gz ITQIRHWNHWOOLO-UHFFFAOYSA-N -1 1 375.776 1.956 20 0 GDADMM CC(=O)Nc1ccc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)cc1Cl ZINC000823999724 946539471 /nfs/dbraw/zinc/53/94/71/946539471.db2.gz ITQIRHWNHWOOLO-UHFFFAOYSA-N -1 1 375.776 1.956 20 0 GDADMM CC(=O)Nc1ccc(Cl)cc1NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000824000103 946539639 /nfs/dbraw/zinc/53/96/39/946539639.db2.gz UOLXGGWEONYETI-UHFFFAOYSA-N -1 1 375.776 1.956 20 0 GDADMM CC(=O)Nc1ccc(Cl)cc1NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000824000103 946539651 /nfs/dbraw/zinc/53/96/51/946539651.db2.gz UOLXGGWEONYETI-UHFFFAOYSA-N -1 1 375.776 1.956 20 0 GDADMM CCc1ccccc1C(=O)N1CCC[C@H]1CN(C)c1nccnc1-c1nnn[n-]1 ZINC001571314038 946540156 /nfs/dbraw/zinc/54/01/56/946540156.db2.gz YYTWOYHDBFQOKI-HNNXBMFYSA-N -1 1 392.467 1.960 20 0 GDADMM CCc1ccccc1C(=O)N1CCC[C@H]1CN(C)c1nccnc1-c1nn[n-]n1 ZINC001571314038 946540165 /nfs/dbraw/zinc/54/01/65/946540165.db2.gz YYTWOYHDBFQOKI-HNNXBMFYSA-N -1 1 392.467 1.960 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(NC(=O)c3c(C)cccc3C)CC2)n1 ZINC001571314749 946545757 /nfs/dbraw/zinc/54/57/57/946545757.db2.gz CAKRGBHJNHZJFG-UHFFFAOYSA-N -1 1 392.467 1.981 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(NC(=O)c3c(C)cccc3C)CC2)n1 ZINC001571314749 946545768 /nfs/dbraw/zinc/54/57/68/946545768.db2.gz CAKRGBHJNHZJFG-UHFFFAOYSA-N -1 1 392.467 1.981 20 0 GDADMM Cc1cc(C)cc(CC(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)[C@@H]2C)c1 ZINC001571315390 946552398 /nfs/dbraw/zinc/55/23/98/946552398.db2.gz JAVURBVVAACRTH-ZBFHGGJFSA-N -1 1 392.467 1.600 20 0 GDADMM Cc1cc(C)cc(CC(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)[C@@H]2C)c1 ZINC001571315390 946552401 /nfs/dbraw/zinc/55/24/01/946552401.db2.gz JAVURBVVAACRTH-ZBFHGGJFSA-N -1 1 392.467 1.600 20 0 GDADMM Cc1ccc(CC(=O)N[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cc1C ZINC001571316025 946563983 /nfs/dbraw/zinc/56/39/83/946563983.db2.gz SATXJJFLRDZGSA-GDBMZVCRSA-N -1 1 392.467 1.457 20 0 GDADMM Cc1ccc(CC(=O)N[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cc1C ZINC001571316025 946563992 /nfs/dbraw/zinc/56/39/92/946563992.db2.gz SATXJJFLRDZGSA-GDBMZVCRSA-N -1 1 392.467 1.457 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H](C)[C@H]2CCN(C(=O)Cc3ccccc3)C2)n1 ZINC001571316235 946568117 /nfs/dbraw/zinc/56/81/17/946568117.db2.gz WZLCFQFMVRAUTI-ZBFHGGJFSA-N -1 1 392.467 1.857 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H](C)[C@H]2CCN(C(=O)Cc3ccccc3)C2)n1 ZINC001571316235 946568122 /nfs/dbraw/zinc/56/81/22/946568122.db2.gz WZLCFQFMVRAUTI-ZBFHGGJFSA-N -1 1 392.467 1.857 20 0 GDADMM Cc1ccccc1C[C@H](C)C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571316952 946593408 /nfs/dbraw/zinc/59/34/08/946593408.db2.gz QKDNTWDHQTWKRB-HOCLYGCPSA-N -1 1 392.467 1.857 20 0 GDADMM Cc1ccccc1C[C@H](C)C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571316952 946593415 /nfs/dbraw/zinc/59/34/15/946593415.db2.gz QKDNTWDHQTWKRB-HOCLYGCPSA-N -1 1 392.467 1.857 20 0 GDADMM Cc1cccc(C)c1C(=O)N1C[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001571317174 946601635 /nfs/dbraw/zinc/60/16/35/946601635.db2.gz XCDVSBFEABMGCZ-HUUCEWRRSA-N -1 1 392.467 1.516 20 0 GDADMM CC[C@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccc(OC)cc1 ZINC000825039530 947056622 /nfs/dbraw/zinc/05/66/22/947056622.db2.gz STQVKMMWSGECGB-AWEZNQCLSA-N -1 1 398.471 1.765 20 0 GDADMM CC[C@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccc(OC)cc1 ZINC000825039530 947056637 /nfs/dbraw/zinc/05/66/37/947056637.db2.gz STQVKMMWSGECGB-AWEZNQCLSA-N -1 1 398.471 1.765 20 0 GDADMM CCCC(=O)Nc1cccc(CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)c1 ZINC000825224852 947125589 /nfs/dbraw/zinc/12/55/89/947125589.db2.gz DQDILXBKPPJHOC-UHFFFAOYSA-N -1 1 383.412 1.761 20 0 GDADMM CCCC(=O)Nc1cccc(CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)c1 ZINC000825224852 947125598 /nfs/dbraw/zinc/12/55/98/947125598.db2.gz DQDILXBKPPJHOC-UHFFFAOYSA-N -1 1 383.412 1.761 20 0 GDADMM CCN(C(=O)Cc1noc(C)c1-c1nnn[n-]1)[C@@H](COC)Cc1ccccc1 ZINC000825377120 947168701 /nfs/dbraw/zinc/16/87/01/947168701.db2.gz UEWCLLQCRKUPGH-OAHLLOKOSA-N -1 1 384.440 1.812 20 0 GDADMM CCN(C(=O)Cc1noc(C)c1-c1nn[n-]n1)[C@@H](COC)Cc1ccccc1 ZINC000825377120 947168704 /nfs/dbraw/zinc/16/87/04/947168704.db2.gz UEWCLLQCRKUPGH-OAHLLOKOSA-N -1 1 384.440 1.812 20 0 GDADMM CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825434781 947189389 /nfs/dbraw/zinc/18/93/89/947189389.db2.gz DVFHEGXQXPHEPH-UHFFFAOYSA-N -1 1 397.439 1.456 20 0 GDADMM CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825434781 947189400 /nfs/dbraw/zinc/18/94/00/947189400.db2.gz DVFHEGXQXPHEPH-UHFFFAOYSA-N -1 1 397.439 1.456 20 0 GDADMM CCOC(=O)CCN(Cc1cccnc1)C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825511920 947210959 /nfs/dbraw/zinc/21/09/59/947210959.db2.gz LASPIQAXUUTXHS-UHFFFAOYSA-N -1 1 399.411 1.083 20 0 GDADMM CCOC(=O)CCN(Cc1cccnc1)C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825511920 947210971 /nfs/dbraw/zinc/21/09/71/947210971.db2.gz LASPIQAXUUTXHS-UHFFFAOYSA-N -1 1 399.411 1.083 20 0 GDADMM CCc1ccccc1NC(=O)CN(C)C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825723150 947300011 /nfs/dbraw/zinc/30/00/11/947300011.db2.gz SFGXFVBYNBNDKZ-UHFFFAOYSA-N -1 1 383.412 1.365 20 0 GDADMM CCc1ccccc1NC(=O)CN(C)C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825723150 947300022 /nfs/dbraw/zinc/30/00/22/947300022.db2.gz SFGXFVBYNBNDKZ-UHFFFAOYSA-N -1 1 383.412 1.365 20 0 GDADMM CCc1nc(-c2ccccc2NC(=O)Cc2noc(C)c2-c2nn[n-]n2)n[nH]1 ZINC000825739980 947311279 /nfs/dbraw/zinc/31/12/79/947311279.db2.gz MILBXDIRBNTIIA-UHFFFAOYSA-N -1 1 379.384 1.692 20 0 GDADMM C[C@H](C(=O)N(C)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)n1cccc1 ZINC001573593159 947365300 /nfs/dbraw/zinc/36/53/00/947365300.db2.gz QUCIJDOEDSDBHH-CYBMUJFWSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@H](C(=O)N(C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)n1cccc1 ZINC001573593159 947365319 /nfs/dbraw/zinc/36/53/19/947365319.db2.gz QUCIJDOEDSDBHH-CYBMUJFWSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@H](C(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1cccs1 ZINC001573593390 947372376 /nfs/dbraw/zinc/37/23/76/947372376.db2.gz SOUPXBISHIXIJB-NWDGAFQWSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@H](C(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1cccs1 ZINC001573593390 947372387 /nfs/dbraw/zinc/37/23/87/947372387.db2.gz SOUPXBISHIXIJB-NWDGAFQWSA-N -1 1 384.469 1.559 20 0 GDADMM COC(=O)C(C)(C)[C@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)c1ccccc1 ZINC000826098504 947427216 /nfs/dbraw/zinc/42/72/16/947427216.db2.gz GTHDAZRBBTWSAY-MRXNPFEDSA-N -1 1 398.423 1.762 20 0 GDADMM COC(=O)C(C)(C)[C@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)c1ccccc1 ZINC000826098504 947427226 /nfs/dbraw/zinc/42/72/26/947427226.db2.gz GTHDAZRBBTWSAY-MRXNPFEDSA-N -1 1 398.423 1.762 20 0 GDADMM C[C@H](C(=O)N(C)c1ccc(-c2nnn[n-]2)nc1)c1ccc(S(C)(=O)=O)cc1 ZINC001573604688 947516050 /nfs/dbraw/zinc/51/60/50/947516050.db2.gz PNROTNNNGOPDFQ-NSHDSACASA-N -1 1 386.437 1.432 20 0 GDADMM C[C@H](C(=O)N(C)c1ccc(-c2nn[n-]n2)nc1)c1ccc(S(C)(=O)=O)cc1 ZINC001573604688 947516055 /nfs/dbraw/zinc/51/60/55/947516055.db2.gz PNROTNNNGOPDFQ-NSHDSACASA-N -1 1 386.437 1.432 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@](C)(CNc2ccc(-c3nnn[n-]3)nn2)C1)C(C)(F)F ZINC001573614050 947575667 /nfs/dbraw/zinc/57/56/67/947575667.db2.gz KLUWFIZSDTVKNV-BONVTDFDSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C1)C(C)(F)F ZINC001573614050 947575681 /nfs/dbraw/zinc/57/56/81/947575681.db2.gz KLUWFIZSDTVKNV-BONVTDFDSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@](C)(CNc2nccnc2-c2nnn[n-]2)C1)C(C)(F)F ZINC001573614401 947582412 /nfs/dbraw/zinc/58/24/12/947582412.db2.gz DXEJOSQDVGXGHP-BONVTDFDSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@](C)(CNc2nccnc2-c2nn[n-]n2)C1)C(C)(F)F ZINC001573614401 947582421 /nfs/dbraw/zinc/58/24/21/947582421.db2.gz DXEJOSQDVGXGHP-BONVTDFDSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CN(C)c2nccnc2-c2nnn[n-]2)C1)C(C)(F)F ZINC001573614369 947584326 /nfs/dbraw/zinc/58/43/26/947584326.db2.gz DPXVNLWUSUKNFC-QWRGUYRKSA-N -1 1 380.403 1.233 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CN(C)c2nccnc2-c2nn[n-]n2)C1)C(C)(F)F ZINC001573614369 947584336 /nfs/dbraw/zinc/58/43/36/947584336.db2.gz DPXVNLWUSUKNFC-QWRGUYRKSA-N -1 1 380.403 1.233 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@](C)(CNc2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001573615083 947597220 /nfs/dbraw/zinc/59/72/20/947597220.db2.gz QMCKIHQLVHMECP-UGSOOPFHSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001573615083 947597228 /nfs/dbraw/zinc/59/72/28/947597228.db2.gz QMCKIHQLVHMECP-UGSOOPFHSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1)C(C)(F)F ZINC001573615147 947600543 /nfs/dbraw/zinc/60/05/43/947600543.db2.gz HZJWIZRVWQJVQI-GHMZBOCLSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1)C(C)(F)F ZINC001573615147 947600551 /nfs/dbraw/zinc/60/05/51/947600551.db2.gz HZJWIZRVWQJVQI-GHMZBOCLSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CN(C)c2ccnc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573615697 947608055 /nfs/dbraw/zinc/60/80/55/947608055.db2.gz JUUIBBBCZZSPGY-KBPBESRZSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001573615776 947610212 /nfs/dbraw/zinc/61/02/12/947610212.db2.gz KLIFDSCHOZWMMD-STQMWFEESA-N -1 1 382.428 1.126 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001573615774 947611496 /nfs/dbraw/zinc/61/14/96/947611496.db2.gz KLIFDSCHOZWMMD-QWHCGFSZSA-N -1 1 382.428 1.126 20 0 GDADMM C[C@@H](C(=O)N1CCC(C)(Nc2nccnc2-c2nnn[n-]2)CC1)[C@@H]1CCCO1 ZINC001573616706 947626823 /nfs/dbraw/zinc/62/68/23/947626823.db2.gz NAXYDUUMBPPAKQ-OLZOCXBDSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H](C(=O)N1CCC(C)(Nc2nccnc2-c2nn[n-]n2)CC1)[C@@H]1CCCO1 ZINC001573616706 947626828 /nfs/dbraw/zinc/62/68/28/947626828.db2.gz NAXYDUUMBPPAKQ-OLZOCXBDSA-N -1 1 386.460 1.265 20 0 GDADMM C=Cc1ccc(C(=O)N(C)[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573352204 947627401 /nfs/dbraw/zinc/62/74/01/947627401.db2.gz YNQAZSFLLZXVEY-OAHLLOKOSA-N -1 1 376.424 1.651 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CCNc2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001573616778 947627549 /nfs/dbraw/zinc/62/75/49/947627549.db2.gz NPELQFCMJQNNMU-UWVGGRQHSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CCNc2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001573616778 947627557 /nfs/dbraw/zinc/62/75/57/947627557.db2.gz NPELQFCMJQNNMU-UWVGGRQHSA-N -1 1 384.366 1.506 20 0 GDADMM C=Cc1ccc(C(=O)N[C@H](CNc2cncc(-c3nnn[n-]3)n2)C2CC2)cc1 ZINC001573355322 947641681 /nfs/dbraw/zinc/64/16/81/947641681.db2.gz NZKDRQDYYSRQIY-OAHLLOKOSA-N -1 1 376.424 1.920 20 0 GDADMM C=Cc1ccc(C(=O)N[C@H](CNc2cncc(-c3nn[n-]n3)n2)C2CC2)cc1 ZINC001573355322 947641685 /nfs/dbraw/zinc/64/16/85/947641685.db2.gz NZKDRQDYYSRQIY-OAHLLOKOSA-N -1 1 376.424 1.920 20 0 GDADMM COc1cccc2c1CCN(S(=O)(=O)c1ccc(F)c(-c3nn[n-]n3)c1)C2 ZINC000826218086 947644176 /nfs/dbraw/zinc/64/41/76/947644176.db2.gz OJDNDLHYENXFAJ-UHFFFAOYSA-N -1 1 389.412 1.761 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@@H](CO)Nc2snc(C)c2-c2nn[n-]n2)cc1 ZINC001573355896 947645393 /nfs/dbraw/zinc/64/53/93/947645393.db2.gz SFXIRLLSXKEZQJ-ZDUSSCGKSA-N -1 1 385.453 1.477 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)c1cccs1 ZINC001573618974 947660348 /nfs/dbraw/zinc/66/03/48/947660348.db2.gz ULZZYLCQOQKIIE-RYUDHWBXSA-N -1 1 384.469 1.782 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)c1cccs1 ZINC001573618974 947660354 /nfs/dbraw/zinc/66/03/54/947660354.db2.gz ULZZYLCQOQKIIE-RYUDHWBXSA-N -1 1 384.469 1.782 20 0 GDADMM C[C@@H](C(=O)N1CC[C@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1)C(C)(C)C ZINC001573627577 947727678 /nfs/dbraw/zinc/72/76/78/947727678.db2.gz AUAGVQLVNSXJMX-DJJJIMSYSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](C(=O)N1CC[C@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1)C(C)(C)C ZINC001573627577 947727686 /nfs/dbraw/zinc/72/76/86/947727686.db2.gz AUAGVQLVNSXJMX-DJJJIMSYSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](C(=O)N1CC[C@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1)C(C)(C)C ZINC001573627551 947727933 /nfs/dbraw/zinc/72/79/33/947727933.db2.gz AFGZJOIOWYYOHB-DJJJIMSYSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](C(=O)N1CC[C@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1)C(C)(C)C ZINC001573627551 947727941 /nfs/dbraw/zinc/72/79/41/947727941.db2.gz AFGZJOIOWYYOHB-DJJJIMSYSA-N -1 1 384.488 1.768 20 0 GDADMM C/C(=C/C(=O)N[C@@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C12CCC2)C1CC1 ZINC001573366758 947745443 /nfs/dbraw/zinc/74/54/43/947745443.db2.gz XYJBRWYEJPFEMK-XSNQJSSTSA-N -1 1 380.456 1.852 20 0 GDADMM C/C(=C/C(=O)N[C@@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C12CCC2)C1CC1 ZINC001573366758 947745448 /nfs/dbraw/zinc/74/54/48/947745448.db2.gz XYJBRWYEJPFEMK-XSNQJSSTSA-N -1 1 380.456 1.852 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573629633 947782219 /nfs/dbraw/zinc/78/22/19/947782219.db2.gz OTAAJWXMZPFFTN-KBPBESRZSA-N -1 1 384.488 1.555 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@H]1[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573372789 947783173 /nfs/dbraw/zinc/78/31/73/947783173.db2.gz CMNPIEJYSPHLMF-KBPBESRZSA-N -1 1 386.460 1.019 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@@H](N(C)c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573372951 947786797 /nfs/dbraw/zinc/78/67/97/947786797.db2.gz GHBIGQGDUWZWMP-GFCCVEGCSA-N -1 1 377.474 1.428 20 0 GDADMM C[C@@H](C(=O)N1CC[C@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1)C(C)(F)F ZINC001573632114 947809262 /nfs/dbraw/zinc/80/92/62/947809262.db2.gz ZCHZAHRIQFTXFU-GTNSWQLSSA-N -1 1 392.414 1.377 20 0 GDADMM C[C@@H](C(=O)N1CC[C@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1)C(C)(F)F ZINC001573632114 947809267 /nfs/dbraw/zinc/80/92/67/947809267.db2.gz ZCHZAHRIQFTXFU-GTNSWQLSSA-N -1 1 392.414 1.377 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573374716 947813550 /nfs/dbraw/zinc/81/35/50/947813550.db2.gz PKDRFQSBWWAUTD-CQSZACIVSA-N -1 1 386.460 1.091 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573374716 947813556 /nfs/dbraw/zinc/81/35/56/947813556.db2.gz PKDRFQSBWWAUTD-CQSZACIVSA-N -1 1 386.460 1.091 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H](C)CN(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001573375545 947820156 /nfs/dbraw/zinc/82/01/56/947820156.db2.gz OBQJXPZRVADPPL-QMMMGPOBSA-N -1 1 385.881 1.677 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H](C)CN(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001573375545 947820165 /nfs/dbraw/zinc/82/01/65/947820165.db2.gz OBQJXPZRVADPPL-QMMMGPOBSA-N -1 1 385.881 1.677 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001573376761 947839705 /nfs/dbraw/zinc/83/97/05/947839705.db2.gz XGKBDMLHSLKMPT-CYBMUJFWSA-N -1 1 391.501 1.866 20 0 GDADMM C[C@@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1)c1ccccc1F ZINC001573639657 947846452 /nfs/dbraw/zinc/84/64/52/947846452.db2.gz AOEMNUUKUACSGE-GFCCVEGCSA-N -1 1 382.403 1.248 20 0 GDADMM C[C@@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1)c1ccccc1F ZINC001573639657 947846460 /nfs/dbraw/zinc/84/64/60/947846460.db2.gz AOEMNUUKUACSGE-GFCCVEGCSA-N -1 1 382.403 1.248 20 0 GDADMM CC(=O)CCCC(=O)NC[C@]1(C)CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573380374 947859901 /nfs/dbraw/zinc/85/99/01/947859901.db2.gz CKJJVMSDWYAWSF-SFHVURJKSA-N -1 1 386.460 1.139 20 0 GDADMM CC(=O)CCCC(=O)NC[C@]1(C)CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573380374 947859912 /nfs/dbraw/zinc/85/99/12/947859912.db2.gz CKJJVMSDWYAWSF-SFHVURJKSA-N -1 1 386.460 1.139 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1)C1CCCC1 ZINC001573647140 947885240 /nfs/dbraw/zinc/88/52/40/947885240.db2.gz DBAZUGCFKAWUMS-YUELXQCFSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1)C1CCCC1 ZINC001573647140 947885250 /nfs/dbraw/zinc/88/52/50/947885250.db2.gz DBAZUGCFKAWUMS-YUELXQCFSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573647328 947888856 /nfs/dbraw/zinc/88/88/56/947888856.db2.gz HYULQBJKJLJJQL-IJLUTSLNSA-N -1 1 384.469 1.203 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573647327 947889721 /nfs/dbraw/zinc/88/97/21/947889721.db2.gz HYULQBJKJLJJQL-GRYCIOLGSA-N -1 1 384.469 1.203 20 0 GDADMM CC(C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@]2(C)C1)=C1CCCC1 ZINC001573650248 947908303 /nfs/dbraw/zinc/90/83/03/947908303.db2.gz ABLCPNVIRSHQOS-QRWLVFNGSA-N -1 1 394.483 1.832 20 0 GDADMM CC(C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@]2(C)C1)=C1CCCC1 ZINC001573650248 947908308 /nfs/dbraw/zinc/90/83/08/947908308.db2.gz ABLCPNVIRSHQOS-QRWLVFNGSA-N -1 1 394.483 1.832 20 0 GDADMM C[C@@H](C(=O)N1C[C@@]2(C)CN(c3cncc(-c4nnn[n-]4)n3)C[C@@]2(C)C1)C1CC1 ZINC001573650755 947913652 /nfs/dbraw/zinc/91/36/52/947913652.db2.gz DSJLHRQFFCBYIG-DPMMWBKBSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H](C(=O)N1C[C@@]2(C)CN(c3cncc(-c4nn[n-]n4)n3)C[C@@]2(C)C1)C1CC1 ZINC001573650755 947913658 /nfs/dbraw/zinc/91/36/58/947913658.db2.gz DSJLHRQFFCBYIG-DPMMWBKBSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H](C(=O)N1C[C@@]2(C)CN(c3cncc(-c4nnn[n-]4)n3)C[C@@]2(C)C1)C1CC1 ZINC001573650756 947913871 /nfs/dbraw/zinc/91/38/71/947913871.db2.gz DSJLHRQFFCBYIG-YXKWSERDSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H](C(=O)N1C[C@@]2(C)CN(c3cncc(-c4nn[n-]n4)n3)C[C@@]2(C)C1)C1CC1 ZINC001573650756 947913874 /nfs/dbraw/zinc/91/38/74/947913874.db2.gz DSJLHRQFFCBYIG-YXKWSERDSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H](C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@]2(C)C1)C(C)(F)F ZINC001573651260 947920178 /nfs/dbraw/zinc/92/01/78/947920178.db2.gz KPHLSRKMRFIPGW-UVWXRNBGSA-N -1 1 392.414 1.233 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1)c1ccco1 ZINC001573651976 947925467 /nfs/dbraw/zinc/92/54/67/947925467.db2.gz SOBYRXSCHAOGIM-MCIONIFRSA-N -1 1 394.439 1.338 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1)c1ccco1 ZINC001573651976 947925471 /nfs/dbraw/zinc/92/54/71/947925471.db2.gz SOBYRXSCHAOGIM-MCIONIFRSA-N -1 1 394.439 1.338 20 0 GDADMM C[C@@H](C(=O)N[C@@](C)(CNc1nccnc1-c1nnn[n-]1)C1CC1)c1ccco1 ZINC001573652269 947933543 /nfs/dbraw/zinc/93/35/43/947933543.db2.gz BZJSWIWUBZBUAD-ZMZPIMSZSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](C(=O)N[C@@](C)(CNc1nccnc1-c1nn[n-]n1)C1CC1)c1ccco1 ZINC001573652269 947933547 /nfs/dbraw/zinc/93/35/47/947933547.db2.gz BZJSWIWUBZBUAD-ZMZPIMSZSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C(C)(C)C)n1cccn1 ZINC001573652676 947944696 /nfs/dbraw/zinc/94/46/96/947944696.db2.gz GHRXIKQFRQBQNH-WCQYABFASA-N -1 1 384.448 1.057 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C(C)(C)C)n1cccn1 ZINC001573652676 947944704 /nfs/dbraw/zinc/94/47/04/947944704.db2.gz GHRXIKQFRQBQNH-WCQYABFASA-N -1 1 384.448 1.057 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C(C)(C)C)C(F)(F)F ZINC001573653002 947949330 /nfs/dbraw/zinc/94/93/30/947949330.db2.gz IPDPXCZVVCONCS-PSASIEDQSA-N -1 1 386.382 1.798 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C(C)(C)C)C(F)(F)F ZINC001573653002 947949337 /nfs/dbraw/zinc/94/93/37/947949337.db2.gz IPDPXCZVVCONCS-PSASIEDQSA-N -1 1 386.382 1.798 20 0 GDADMM C[C@H](C(=O)N[C@@](C)(CNc1cncc(-c2nnn[n-]2)n1)C1CC1)c1ccco1 ZINC001573653103 947951129 /nfs/dbraw/zinc/95/11/29/947951129.db2.gz JAXBEFXYXJTYNY-VOJFVSQTSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](C(=O)N[C@@](C)(CNc1cncc(-c2nn[n-]n2)n1)C1CC1)c1ccco1 ZINC001573653103 947951136 /nfs/dbraw/zinc/95/11/36/947951136.db2.gz JAXBEFXYXJTYNY-VOJFVSQTSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C(C)(C)C)n1cccc1 ZINC001573655239 947978141 /nfs/dbraw/zinc/97/81/41/947978141.db2.gz WPVYUAMNSPONSN-QWHCGFSZSA-N -1 1 383.460 1.662 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C(C)(C)C)n1cccc1 ZINC001573655239 947978148 /nfs/dbraw/zinc/97/81/48/947978148.db2.gz WPVYUAMNSPONSN-QWHCGFSZSA-N -1 1 383.460 1.662 20 0 GDADMM Cc1onc(CC(=O)N(C)Cc2nc(-c3ccccc3)c[nH]2)c1-c1nnn[n-]1 ZINC000826343373 947991415 /nfs/dbraw/zinc/99/14/15/947991415.db2.gz XWRJRRVYZIKWAK-UHFFFAOYSA-N -1 1 378.396 1.754 20 0 GDADMM Cc1onc(CC(=O)N(C)Cc2nc(-c3ccccc3)c[nH]2)c1-c1nn[n-]n1 ZINC000826343373 947991423 /nfs/dbraw/zinc/99/14/23/947991423.db2.gz XWRJRRVYZIKWAK-UHFFFAOYSA-N -1 1 378.396 1.754 20 0 GDADMM C[C@@H](C(=O)NC1(CNc2ccnc(-c3nn[n-]n3)n2)CCCC1)C(C)(F)F ZINC001573658264 948008982 /nfs/dbraw/zinc/00/89/82/948008982.db2.gz ROZBLJXNSYBQBT-JTQLQIEISA-N -1 1 380.403 1.211 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1-c1nnn[n-]1 ZINC000826345244 948020302 /nfs/dbraw/zinc/02/03/02/948020302.db2.gz HECQOHDBAHOOBZ-GOSISDBHSA-N -1 1 396.407 1.744 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1-c1nn[n-]n1 ZINC000826345244 948020310 /nfs/dbraw/zinc/02/03/10/948020310.db2.gz HECQOHDBAHOOBZ-GOSISDBHSA-N -1 1 396.407 1.744 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2)C(C)(F)F ZINC001573662832 948029886 /nfs/dbraw/zinc/02/98/86/948029886.db2.gz HFOYGTTZMDRMGU-CMPLNLGQSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2)C(C)(F)F ZINC001573662832 948029896 /nfs/dbraw/zinc/02/98/96/948029896.db2.gz HFOYGTTZMDRMGU-CMPLNLGQSA-N -1 1 392.414 1.423 20 0 GDADMM Cc1onc(CC(=O)NC[C@@H](c2ccccc2)C(C)(C)CO)c1-c1nnn[n-]1 ZINC000826347427 948052698 /nfs/dbraw/zinc/05/26/98/948052698.db2.gz QPHSUFPBZUWLDQ-AWEZNQCLSA-N -1 1 384.440 1.624 20 0 GDADMM Cc1onc(CC(=O)NC[C@@H](c2ccccc2)C(C)(C)CO)c1-c1nn[n-]n1 ZINC000826347427 948052708 /nfs/dbraw/zinc/05/27/08/948052708.db2.gz QPHSUFPBZUWLDQ-AWEZNQCLSA-N -1 1 384.440 1.624 20 0 GDADMM C[C@H](C(=O)N[C@]12CCC[C@@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2)C(C)(F)F ZINC001573664383 948053542 /nfs/dbraw/zinc/05/35/42/948053542.db2.gz UYCKBPBUGGNSPN-MOCULFSLSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H](C(=O)N[C@]12CCC[C@@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2)C(C)(F)F ZINC001573664383 948053551 /nfs/dbraw/zinc/05/35/51/948053551.db2.gz UYCKBPBUGGNSPN-MOCULFSLSA-N -1 1 392.414 1.566 20 0 GDADMM Cc1onc(CC(=O)NCc2nnc(-c3ccccc3)s2)c1-c1nnn[n-]1 ZINC000826347695 948057268 /nfs/dbraw/zinc/05/72/68/948057268.db2.gz AJLRCUNXSMJFDU-UHFFFAOYSA-N -1 1 382.409 1.541 20 0 GDADMM Cc1onc(CC(=O)NCc2nnc(-c3ccccc3)s2)c1-c1nn[n-]n1 ZINC000826347695 948057277 /nfs/dbraw/zinc/05/72/77/948057277.db2.gz AJLRCUNXSMJFDU-UHFFFAOYSA-N -1 1 382.409 1.541 20 0 GDADMM Cc1onc(CC(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)c1-c1nnn[n-]1 ZINC000826347666 948058291 /nfs/dbraw/zinc/05/82/91/948058291.db2.gz ZHROPVQNDHBOHI-GFCCVEGCSA-N -1 1 397.222 1.862 20 0 GDADMM Cc1onc(CC(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)c1-c1nn[n-]n1 ZINC000826347666 948058300 /nfs/dbraw/zinc/05/83/00/948058300.db2.gz ZHROPVQNDHBOHI-GFCCVEGCSA-N -1 1 397.222 1.862 20 0 GDADMM Cc1onc(CC(=O)NCCc2nc(-c3ccncc3)cs2)c1-c1nnn[n-]1 ZINC000826347740 948061701 /nfs/dbraw/zinc/06/17/01/948061701.db2.gz CVCMVHXWSXSYLI-UHFFFAOYSA-N -1 1 396.436 1.583 20 0 GDADMM Cc1onc(CC(=O)NCCc2nc(-c3ccncc3)cs2)c1-c1nn[n-]n1 ZINC000826347740 948061711 /nfs/dbraw/zinc/06/17/11/948061711.db2.gz CVCMVHXWSXSYLI-UHFFFAOYSA-N -1 1 396.436 1.583 20 0 GDADMM C[C@H](C(=O)NC1CC(CNc2cncc(-c3nnn[n-]3)n2)C1)c1cccs1 ZINC001573665022 948065488 /nfs/dbraw/zinc/06/54/88/948065488.db2.gz ZXLNEBXVNGBMFQ-UNXYVOJBSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NC1CC(CNc2cncc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573665022 948065498 /nfs/dbraw/zinc/06/54/98/948065498.db2.gz ZXLNEBXVNGBMFQ-UNXYVOJBSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1)C(C)(F)F ZINC001573666617 948089363 /nfs/dbraw/zinc/08/93/63/948089363.db2.gz URGDQBGSVULTOQ-GHMZBOCLSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1)C(C)(F)F ZINC001573666617 948089374 /nfs/dbraw/zinc/08/93/74/948089374.db2.gz URGDQBGSVULTOQ-GHMZBOCLSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@@H](C(=O)NC1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1)C(F)(F)F ZINC001573666651 948090427 /nfs/dbraw/zinc/09/04/27/948090427.db2.gz UZEKKKJHMUTXOA-IDKOKCKLSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](C(=O)NC1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1)C(F)(F)F ZINC001573666651 948090436 /nfs/dbraw/zinc/09/04/36/948090436.db2.gz UZEKKKJHMUTXOA-IDKOKCKLSA-N -1 1 384.366 1.694 20 0 GDADMM Cc1onc(CC(=O)Nc2cnn(-c3ccccc3F)c2C)c1-c1nnn[n-]1 ZINC000826349190 948090559 /nfs/dbraw/zinc/09/05/59/948090559.db2.gz YQTQVLGZTATSTB-UHFFFAOYSA-N -1 1 382.359 1.978 20 0 GDADMM Cc1onc(CC(=O)Nc2cnn(-c3ccccc3F)c2C)c1-c1nn[n-]n1 ZINC000826349190 948090572 /nfs/dbraw/zinc/09/05/72/948090572.db2.gz YQTQVLGZTATSTB-UHFFFAOYSA-N -1 1 382.359 1.978 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)CC(C)(C)C1)C1CC1 ZINC001573673340 948113181 /nfs/dbraw/zinc/11/31/81/948113181.db2.gz KJWUDOJDXJBWFR-TZMCWYRMSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)CC(C)(C)C1)C1CC1 ZINC001573673340 948113186 /nfs/dbraw/zinc/11/31/86/948113186.db2.gz KJWUDOJDXJBWFR-TZMCWYRMSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1)n1cccc1 ZINC001573677246 948132551 /nfs/dbraw/zinc/13/25/51/948132551.db2.gz WYEWPUHXUNSKCI-UWVGGRQHSA-N -1 1 392.876 1.734 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1)n1cccc1 ZINC001573677246 948132555 /nfs/dbraw/zinc/13/25/55/948132555.db2.gz WYEWPUHXUNSKCI-UWVGGRQHSA-N -1 1 392.876 1.734 20 0 GDADMM C[C@@H](C(=O)NC[C@@H](Nc1nccnc1-c1nnn[n-]1)c1ccccc1)C1CC1 ZINC001573678998 948157226 /nfs/dbraw/zinc/15/72/26/948157226.db2.gz HJHLTUOGRGWQII-IUODEOHRSA-N -1 1 378.440 1.972 20 0 GDADMM C[C@@H](C(=O)NC[C@@H](Nc1nccnc1-c1nn[n-]n1)c1ccccc1)C1CC1 ZINC001573678998 948157230 /nfs/dbraw/zinc/15/72/30/948157230.db2.gz HJHLTUOGRGWQII-IUODEOHRSA-N -1 1 378.440 1.972 20 0 GDADMM CC(=O)N1C[C@@H](C)O[C@@]2(CCN(c3nc(Cl)c(-c4nnn[n-]4)s3)C2)C1 ZINC001573427223 948163845 /nfs/dbraw/zinc/16/38/45/948163845.db2.gz UTGVMRVPGLSIKX-XLKFXECMSA-N -1 1 383.865 1.193 20 0 GDADMM CC(=O)N1C[C@@H](C)O[C@@]2(CCN(c3nc(Cl)c(-c4nn[n-]n4)s3)C2)C1 ZINC001573427223 948163850 /nfs/dbraw/zinc/16/38/50/948163850.db2.gz UTGVMRVPGLSIKX-XLKFXECMSA-N -1 1 383.865 1.193 20 0 GDADMM CC(=O)N1C[C@@H](C)O[C@]2(CCN(c3snc(Cl)c3-c3nnn[n-]3)C2)C1 ZINC001573427418 948164909 /nfs/dbraw/zinc/16/49/09/948164909.db2.gz YGVOTTZEQCXEBD-CLAHSXSESA-N -1 1 383.865 1.193 20 0 GDADMM CC(=O)N1C[C@@H](C)O[C@]2(CCN(c3snc(Cl)c3-c3nn[n-]n3)C2)C1 ZINC001573427418 948164911 /nfs/dbraw/zinc/16/49/11/948164911.db2.gz YGVOTTZEQCXEBD-CLAHSXSESA-N -1 1 383.865 1.193 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C)C(C)(F)F ZINC001573680411 948179074 /nfs/dbraw/zinc/17/90/74/948179074.db2.gz PTLIBSKVMSDQLH-ONGXEEELSA-N -1 1 380.403 1.279 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C)C(C)(F)F ZINC001573680411 948179081 /nfs/dbraw/zinc/17/90/81/948179081.db2.gz PTLIBSKVMSDQLH-ONGXEEELSA-N -1 1 380.403 1.279 20 0 GDADMM C[C@H](C(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccccc1)C1CC1 ZINC001573681542 948204958 /nfs/dbraw/zinc/20/49/58/948204958.db2.gz WGOYTOQBRMWUPO-BLLLJJGKSA-N -1 1 378.440 1.972 20 0 GDADMM C[C@H](C(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccccc1)C1CC1 ZINC001573681542 948204962 /nfs/dbraw/zinc/20/49/62/948204962.db2.gz WGOYTOQBRMWUPO-BLLLJJGKSA-N -1 1 378.440 1.972 20 0 GDADMM C[C@@H](C(=O)N[C@H]1COC2(CN(Cc3ccc(-c4nn[n-]n4)s3)C2)C1)C1CC1 ZINC001573681661 948210994 /nfs/dbraw/zinc/21/09/94/948210994.db2.gz YQGKKILKCYEQCT-DGCLKSJQSA-N -1 1 388.497 1.434 20 0 GDADMM CC(=O)N1CC[C@@H](OC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)c2ccccc21 ZINC001573439652 948248908 /nfs/dbraw/zinc/24/89/08/948248908.db2.gz NXOFWJOOMLAFEU-IINYFYTJSA-N -1 1 382.384 1.060 20 0 GDADMM C[C@H](C(=O)NC[C@@H](O)CNc1nc(Cl)c(-c2nnn[n-]2)s1)C1CCC1 ZINC001573692995 948275645 /nfs/dbraw/zinc/27/56/45/948275645.db2.gz RGNKWWXQFQEMAS-IONNQARKSA-N -1 1 385.881 1.302 20 0 GDADMM C[C@H](C(=O)NC[C@@H](O)CNc1nc(Cl)c(-c2nn[n-]n2)s1)C1CCC1 ZINC001573692995 948275649 /nfs/dbraw/zinc/27/56/49/948275649.db2.gz RGNKWWXQFQEMAS-IONNQARKSA-N -1 1 385.881 1.302 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1)C1CCCC1 ZINC001573702607 948346822 /nfs/dbraw/zinc/34/68/22/948346822.db2.gz FVIUHDJISSNFFJ-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1)C1CCCC1 ZINC001573702607 948346828 /nfs/dbraw/zinc/34/68/28/948346828.db2.gz FVIUHDJISSNFFJ-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001573703143 948351352 /nfs/dbraw/zinc/35/13/52/948351352.db2.gz IJXZDXZMYMRXLO-KGLIPLIRSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001573703143 948351361 /nfs/dbraw/zinc/35/13/61/948351361.db2.gz IJXZDXZMYMRXLO-KGLIPLIRSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@H](C(=O)NCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)c1ccco1 ZINC001573704522 948376528 /nfs/dbraw/zinc/37/65/28/948376528.db2.gz BMQZWCKOMBJZGW-LBPRGKRZSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@H](C(=O)NCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)c1ccco1 ZINC001573704522 948376538 /nfs/dbraw/zinc/37/65/38/948376538.db2.gz BMQZWCKOMBJZGW-LBPRGKRZSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001573704644 948378421 /nfs/dbraw/zinc/37/84/21/948378421.db2.gz UEBHQPDSNMSXRU-NXEZZACHSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001573704644 948378432 /nfs/dbraw/zinc/37/84/32/948378432.db2.gz UEBHQPDSNMSXRU-NXEZZACHSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1)C1CCCC1 ZINC001573704963 948387733 /nfs/dbraw/zinc/38/77/33/948387733.db2.gz UYMSXMSCMZGNBD-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573704963 948387740 /nfs/dbraw/zinc/38/77/40/948387740.db2.gz UYMSXMSCMZGNBD-ZFWWWQNUSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCCO1)C(C)(C)C ZINC001573705227 948395585 /nfs/dbraw/zinc/39/55/85/948395585.db2.gz DNZVFWHKWXDGDU-OLZOCXBDSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCCO1)C(C)(C)C ZINC001573705227 948395590 /nfs/dbraw/zinc/39/55/90/948395590.db2.gz DNZVFWHKWXDGDU-OLZOCXBDSA-N -1 1 388.476 1.050 20 0 GDADMM O=S(=O)(NCCc1cc(F)cc(F)c1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826491715 948403825 /nfs/dbraw/zinc/40/38/25/948403825.db2.gz XKRLKPWXQINWKI-UHFFFAOYSA-N -1 1 383.355 1.805 20 0 GDADMM C[C@@H](C(=O)NCCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C1CCC1 ZINC001573714055 948469349 /nfs/dbraw/zinc/46/93/49/948469349.db2.gz CYBKYIYAFGWIHR-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NCCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C1CCC1 ZINC001573714055 948469358 /nfs/dbraw/zinc/46/93/58/948469358.db2.gz CYBKYIYAFGWIHR-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NCC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)C(C)(F)F ZINC001573714023 948469701 /nfs/dbraw/zinc/46/97/01/948469701.db2.gz CQRFVQJEUQJWJJ-MNOVXSKESA-N -1 1 380.403 1.281 20 0 GDADMM C[C@H](C(=O)NCC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573714023 948469706 /nfs/dbraw/zinc/46/97/06/948469706.db2.gz CQRFVQJEUQJWJJ-MNOVXSKESA-N -1 1 380.403 1.281 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1)c1cccc(Cl)c1 ZINC001573715173 948484157 /nfs/dbraw/zinc/48/41/57/948484157.db2.gz QGIUCKJDYPUTPZ-NSHDSACASA-N -1 1 386.847 1.666 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1)c1cccc(Cl)c1 ZINC001573715173 948484163 /nfs/dbraw/zinc/48/41/63/948484163.db2.gz QGIUCKJDYPUTPZ-NSHDSACASA-N -1 1 386.847 1.666 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1nc(-c2nn[n-]n2)c(Cl)s1)n1cccc1 ZINC001573720147 948530082 /nfs/dbraw/zinc/53/00/82/948530082.db2.gz PCTZDIAESBIOAE-VIFPVBQESA-N -1 1 380.865 1.592 20 0 GDADMM C[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001573726720 948549567 /nfs/dbraw/zinc/54/95/67/948549567.db2.gz JPBDNGQEQLQPIN-VIRABCJISA-N -1 1 382.472 1.566 20 0 GDADMM C[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001573726720 948549574 /nfs/dbraw/zinc/54/95/74/948549574.db2.gz JPBDNGQEQLQPIN-VIRABCJISA-N -1 1 382.472 1.566 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C)c1ccco1 ZINC001573727264 948553889 /nfs/dbraw/zinc/55/38/89/948553889.db2.gz LUZMWAZABFYYNZ-JHJVBQTASA-N -1 1 382.428 1.242 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C)c1ccco1 ZINC001573727264 948553895 /nfs/dbraw/zinc/55/38/95/948553895.db2.gz LUZMWAZABFYYNZ-JHJVBQTASA-N -1 1 382.428 1.242 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C)C1CCCC1 ZINC001573729923 948574206 /nfs/dbraw/zinc/57/42/06/948574206.db2.gz WRAYFOLJBDRTAR-VNHYZAJKSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cccnc1 ZINC001573730904 948585559 /nfs/dbraw/zinc/58/55/59/948585559.db2.gz SFBLGBGKGMEEFB-YRGRVCCFSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cccnc1 ZINC001573730904 948585572 /nfs/dbraw/zinc/58/55/72/948585572.db2.gz SFBLGBGKGMEEFB-YRGRVCCFSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@H](C(=O)N[C@@H](C)CNc1nc(Cl)c(-c2nnn[n-]2)s1)n1cccc1 ZINC001573732580 948604380 /nfs/dbraw/zinc/60/43/80/948604380.db2.gz RTLKBECIUAJTFN-DTWKUNHWSA-N -1 1 380.865 1.956 20 0 GDADMM C[C@H](C(=O)N[C@@H](C)CNc1nc(Cl)c(-c2nn[n-]n2)s1)n1cccc1 ZINC001573732580 948604385 /nfs/dbraw/zinc/60/43/85/948604385.db2.gz RTLKBECIUAJTFN-DTWKUNHWSA-N -1 1 380.865 1.956 20 0 GDADMM C[C@@H](C(=O)N[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1)c1ccc(F)c(F)c1 ZINC001573732587 948605043 /nfs/dbraw/zinc/60/50/43/948605043.db2.gz RZUXTXGHAAMMDC-VHSXEESVSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@@H](C(=O)N[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1)c1ccc(F)c(F)c1 ZINC001573732587 948605048 /nfs/dbraw/zinc/60/50/48/948605048.db2.gz RZUXTXGHAAMMDC-VHSXEESVSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001573736046 948610886 /nfs/dbraw/zinc/61/08/86/948610886.db2.gz CJWQZUPXSXBKDZ-HBNTYKKESA-N -1 1 380.403 1.209 20 0 GDADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1)C(C)(F)F ZINC001573739192 948617968 /nfs/dbraw/zinc/61/79/68/948617968.db2.gz APJLRCQQDGUCQJ-IQIPOGNMSA-N -1 1 378.387 1.174 20 0 GDADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1)C(C)(F)F ZINC001573739192 948617973 /nfs/dbraw/zinc/61/79/73/948617973.db2.gz APJLRCQQDGUCQJ-IQIPOGNMSA-N -1 1 378.387 1.174 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C)c1cccs1 ZINC001573747881 948693239 /nfs/dbraw/zinc/69/32/39/948693239.db2.gz YAAFTDSXPOWYJI-TUAOUCFPSA-N -1 1 384.469 1.605 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C)c1cccs1 ZINC001573747881 948693241 /nfs/dbraw/zinc/69/32/41/948693241.db2.gz YAAFTDSXPOWYJI-TUAOUCFPSA-N -1 1 384.469 1.605 20 0 GDADMM CC(C)c1ccc(C(=O)NCC2(Nc3ccnc(-c4nn[n-]n4)n3)CC2)cc1 ZINC001574416092 948744386 /nfs/dbraw/zinc/74/43/86/948744386.db2.gz OPWHAVKSOMUSQQ-UHFFFAOYSA-N -1 1 378.440 1.577 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1c(F)cc(F)cc1F ZINC001574678380 948748050 /nfs/dbraw/zinc/74/80/50/948748050.db2.gz DZCHMOFZIBAGBE-MRVPVSSYSA-N -1 1 392.345 1.695 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1c(F)cc(F)cc1F ZINC001574678380 948748059 /nfs/dbraw/zinc/74/80/59/948748059.db2.gz DZCHMOFZIBAGBE-MRVPVSSYSA-N -1 1 392.345 1.695 20 0 GDADMM C[C@H](CNC(=O)CCc1ccc(Cl)cc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574914634 948751580 /nfs/dbraw/zinc/75/15/80/948751580.db2.gz LPTRMOCXTRKEHQ-LLVKDONJSA-N -1 1 386.847 1.860 20 0 GDADMM C[C@H](CNC(=O)CCc1ccc(Cl)cc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574914634 948751590 /nfs/dbraw/zinc/75/15/90/948751590.db2.gz LPTRMOCXTRKEHQ-LLVKDONJSA-N -1 1 386.847 1.860 20 0 GDADMM C[C@H](CNC(=O)CCc1cc(F)ccc1F)Nc1nccnc1-c1nnn[n-]1 ZINC001574914609 948751644 /nfs/dbraw/zinc/75/16/44/948751644.db2.gz LGAREFMHWUPJLY-SNVBAGLBSA-N -1 1 388.382 1.484 20 0 GDADMM C[C@H](CNC(=O)CCc1cc(F)ccc1F)Nc1nccnc1-c1nn[n-]n1 ZINC001574914609 948751655 /nfs/dbraw/zinc/75/16/55/948751655.db2.gz LGAREFMHWUPJLY-SNVBAGLBSA-N -1 1 388.382 1.484 20 0 GDADMM C[C@@H](CNC(=O)CCc1ccccc1F)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574914616 948751942 /nfs/dbraw/zinc/75/19/42/948751942.db2.gz LIYARBRHKZWSGS-GFCCVEGCSA-N -1 1 384.419 1.593 20 0 GDADMM C[C@@H](CNC(=O)CCc1ccccc1F)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574914616 948751953 /nfs/dbraw/zinc/75/19/53/948751953.db2.gz LIYARBRHKZWSGS-GFCCVEGCSA-N -1 1 384.419 1.593 20 0 GDADMM CC(C)c1ccc(C(=O)N(C)CCNc2cncc(-c3nnn[n-]3)n2)c(=O)[nH]1 ZINC001574416590 948753510 /nfs/dbraw/zinc/75/35/10/948753510.db2.gz ZBHWGLLGQQFEOH-UHFFFAOYSA-N -1 1 383.416 1.065 20 0 GDADMM CC(C)c1ccc(C(=O)N(C)CCNc2cncc(-c3nn[n-]n3)n2)c(=O)[nH]1 ZINC001574416590 948753517 /nfs/dbraw/zinc/75/35/17/948753517.db2.gz ZBHWGLLGQQFEOH-UHFFFAOYSA-N -1 1 383.416 1.065 20 0 GDADMM C[C@H](CNC(=O)CCc1cccc(F)c1F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574914809 948755110 /nfs/dbraw/zinc/75/51/10/948755110.db2.gz NFYZEEBYXZZKOZ-SNVBAGLBSA-N -1 1 388.382 1.484 20 0 GDADMM C[C@H](CNC(=O)CCc1cccc(F)c1F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574914809 948755115 /nfs/dbraw/zinc/75/51/15/948755115.db2.gz NFYZEEBYXZZKOZ-SNVBAGLBSA-N -1 1 388.382 1.484 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)[C@H](C)C(C)(C)C ZINC001573755163 948758179 /nfs/dbraw/zinc/75/81/79/948758179.db2.gz BNXTXTSXZNEPOQ-CRQFQMBKSA-N -1 1 384.488 1.526 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)[C@H](C)C(C)(C)C ZINC001573755163 948758192 /nfs/dbraw/zinc/75/81/92/948758192.db2.gz BNXTXTSXZNEPOQ-CRQFQMBKSA-N -1 1 384.488 1.526 20 0 GDADMM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)[C@H](C)C(C)(C)C ZINC001573755166 948758266 /nfs/dbraw/zinc/75/82/66/948758266.db2.gz BNXTXTSXZNEPOQ-VGBQHSPPSA-N -1 1 384.488 1.526 20 0 GDADMM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)[C@H](C)C(C)(C)C ZINC001573755166 948758273 /nfs/dbraw/zinc/75/82/73/948758273.db2.gz BNXTXTSXZNEPOQ-VGBQHSPPSA-N -1 1 384.488 1.526 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H](CNc2cncc(-c3nnn[n-]3)n2)C2CC2)CC1 ZINC001575222822 948760130 /nfs/dbraw/zinc/76/01/30/948760130.db2.gz LESRAACSKDBICV-SNVBAGLBSA-N -1 1 378.387 1.399 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H](CNc2cncc(-c3nn[n-]n3)n2)C2CC2)CC1 ZINC001575222822 948760138 /nfs/dbraw/zinc/76/01/38/948760138.db2.gz LESRAACSKDBICV-SNVBAGLBSA-N -1 1 378.387 1.399 20 0 GDADMM C[C@@H](CNC(=O)CCc1ccc(Cl)cc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574915083 948760696 /nfs/dbraw/zinc/76/06/96/948760696.db2.gz QFXOUOPGPCTRSO-NSHDSACASA-N -1 1 386.847 1.860 20 0 GDADMM C[C@@H](CNC(=O)CCc1ccc(Cl)cc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574915083 948760706 /nfs/dbraw/zinc/76/07/06/948760706.db2.gz QFXOUOPGPCTRSO-NSHDSACASA-N -1 1 386.847 1.860 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N[C@H](C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001574679264 948772820 /nfs/dbraw/zinc/77/28/20/948772820.db2.gz RIRKLUDZEXEMRY-LLVKDONJSA-N -1 1 384.448 1.134 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N[C@H](C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001574679264 948772829 /nfs/dbraw/zinc/77/28/29/948772829.db2.gz RIRKLUDZEXEMRY-LLVKDONJSA-N -1 1 384.448 1.134 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C2CC2)CC1 ZINC001575223973 948776148 /nfs/dbraw/zinc/77/61/48/948776148.db2.gz RDQDPSXONFTRMP-LLVKDONJSA-N -1 1 378.387 1.399 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C2CC2)CC1 ZINC001575223973 948776154 /nfs/dbraw/zinc/77/61/54/948776154.db2.gz RDQDPSXONFTRMP-LLVKDONJSA-N -1 1 378.387 1.399 20 0 GDADMM CC(C)c1cccc(C(=O)N(C)CCN(C)c2nccnc2-c2nnn[n-]2)c1 ZINC001574418228 948776416 /nfs/dbraw/zinc/77/64/16/948776416.db2.gz VVEPBXICGXRIKL-UHFFFAOYSA-N -1 1 380.456 1.989 20 0 GDADMM CC(C)c1cccc(C(=O)N(C)CCN(C)c2nccnc2-c2nn[n-]n2)c1 ZINC001574418228 948776431 /nfs/dbraw/zinc/77/64/31/948776431.db2.gz VVEPBXICGXRIKL-UHFFFAOYSA-N -1 1 380.456 1.989 20 0 GDADMM CC(C)[C@@H](F)C(=O)NCCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574080493 948796707 /nfs/dbraw/zinc/79/67/07/948796707.db2.gz MDKFPUSBIBNYGU-OAHLLOKOSA-N -1 1 376.440 1.374 20 0 GDADMM CC(C)[C@@H](F)C(=O)NCCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574080493 948796716 /nfs/dbraw/zinc/79/67/16/948796716.db2.gz MDKFPUSBIBNYGU-OAHLLOKOSA-N -1 1 376.440 1.374 20 0 GDADMM CC(C)c1ccoc1C(=O)NC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1 ZINC001574420845 948805158 /nfs/dbraw/zinc/80/51/58/948805158.db2.gz BQKWCNDCCTYHJS-GFCCVEGCSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1ccoc1C(=O)NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1 ZINC001574420845 948805173 /nfs/dbraw/zinc/80/51/73/948805173.db2.gz BQKWCNDCCTYHJS-GFCCVEGCSA-N -1 1 382.428 1.772 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575225768 948811655 /nfs/dbraw/zinc/81/16/55/948811655.db2.gz FDSRKBBWHANUNJ-LLVKDONJSA-N -1 1 380.403 1.165 20 0 GDADMM C[C@@H](C(=O)N[C@]12CCC[C@H]1CN(c1nccnc1-c1nnn[n-]1)C2)C(C)(F)F ZINC001573756404 948815840 /nfs/dbraw/zinc/81/58/40/948815840.db2.gz QQBFMIJDUKDBDS-DINDLPBHSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@@H](C(=O)N[C@]12CCC[C@H]1CN(c1nccnc1-c1nn[n-]n1)C2)C(C)(F)F ZINC001573756404 948815859 /nfs/dbraw/zinc/81/58/59/948815859.db2.gz QQBFMIJDUKDBDS-DINDLPBHSA-N -1 1 392.414 1.423 20 0 GDADMM CC(C)c1ccoc1C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574421542 948816928 /nfs/dbraw/zinc/81/69/28/948816928.db2.gz LTCNIZAZKGOGKZ-HAQNSBGRSA-N -1 1 382.428 1.416 20 0 GDADMM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)c1ccsc1 ZINC001573756462 948817961 /nfs/dbraw/zinc/81/79/61/948817961.db2.gz SDGBXDVHSRPRDC-APAOZMKASA-N -1 1 382.453 1.073 20 0 GDADMM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)c1ccsc1 ZINC001573756462 948817976 /nfs/dbraw/zinc/81/79/76/948817976.db2.gz SDGBXDVHSRPRDC-APAOZMKASA-N -1 1 382.453 1.073 20 0 GDADMM C[C@H](C(=O)N[C@]12CCC[C@H]1CN(c1ccc(-c3nnn[n-]3)nn1)C2)C1CCC1 ZINC001573756464 948818718 /nfs/dbraw/zinc/81/87/18/948818718.db2.gz SDJVKHXOZOLVEG-PJFSTRORSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](C(=O)N[C@]12CCC[C@H]1CN(c1ccc(-c3nn[n-]n3)nn1)C2)C1CCC1 ZINC001573756464 948818722 /nfs/dbraw/zinc/81/87/22/948818722.db2.gz SDJVKHXOZOLVEG-PJFSTRORSA-N -1 1 382.472 1.568 20 0 GDADMM CC(C)c1nc(C(=O)N[C@@H](C)[C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)cs1 ZINC001574424581 948859983 /nfs/dbraw/zinc/85/99/83/948859983.db2.gz QWGMSOVLJTWGIC-UWVGGRQHSA-N -1 1 387.473 1.277 20 0 GDADMM C[C@H](CNC(=O)CCCc1cccnc1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574918985 948863071 /nfs/dbraw/zinc/86/30/71/948863071.db2.gz SRWDSIRRMYIIBQ-CYBMUJFWSA-N -1 1 381.444 1.016 20 0 GDADMM C[C@H](CNC(=O)CCCc1cccnc1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574918985 948863092 /nfs/dbraw/zinc/86/30/92/948863092.db2.gz SRWDSIRRMYIIBQ-CYBMUJFWSA-N -1 1 381.444 1.016 20 0 GDADMM CC(C)(C(=O)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1)C(F)(F)F ZINC001573763927 948876174 /nfs/dbraw/zinc/87/61/74/948876174.db2.gz IPDJZAQXXJAUDL-UHFFFAOYSA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)(C(=O)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1)C(F)(F)F ZINC001573763927 948876197 /nfs/dbraw/zinc/87/61/97/948876197.db2.gz IPDJZAQXXJAUDL-UHFFFAOYSA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)c1nc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)cs1 ZINC001574425503 948876938 /nfs/dbraw/zinc/87/69/38/948876938.db2.gz GQGJYWRGANBFKZ-AOOOYVTPSA-N -1 1 385.457 1.610 20 0 GDADMM CC(C)c1nc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)cs1 ZINC001574425503 948876960 /nfs/dbraw/zinc/87/69/60/948876960.db2.gz GQGJYWRGANBFKZ-AOOOYVTPSA-N -1 1 385.457 1.610 20 0 GDADMM CC(C)c1nc(C(=O)NCC[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)cs1 ZINC001574425703 948880449 /nfs/dbraw/zinc/88/04/49/948880449.db2.gz LBUUCFVAIHGSPZ-JTQLQIEISA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)c1nc(C(=O)NCC[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)cs1 ZINC001574425703 948880468 /nfs/dbraw/zinc/88/04/68/948880468.db2.gz LBUUCFVAIHGSPZ-JTQLQIEISA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)(C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001573764322 948884559 /nfs/dbraw/zinc/88/45/59/948884559.db2.gz MUZPZOLRZZUFBH-OAHLLOKOSA-N -1 1 392.467 1.459 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575234763 948904809 /nfs/dbraw/zinc/90/48/09/948904809.db2.gz DTOUYLATBHTMGL-HNNXBMFYSA-N -1 1 380.403 1.165 20 0 GDADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)CC1(O)CCC1 ZINC001574685269 948907429 /nfs/dbraw/zinc/90/74/29/948907429.db2.gz UMCSDARIZBGWMU-QMMMGPOBSA-N -1 1 385.881 1.588 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)[C@@]1(C)CCOC1 ZINC001574685266 948907593 /nfs/dbraw/zinc/90/75/93/948907593.db2.gz ULPVLIGHWJIUIN-RTHLEPHNSA-N -1 1 385.881 1.710 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)[C@@]1(C)CCOC1 ZINC001574685266 948907608 /nfs/dbraw/zinc/90/76/08/948907608.db2.gz ULPVLIGHWJIUIN-RTHLEPHNSA-N -1 1 385.881 1.710 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)s1 ZINC001574427752 948912259 /nfs/dbraw/zinc/91/22/59/948912259.db2.gz NFSMSAZRAPVSRQ-JTQLQIEISA-N -1 1 385.457 1.245 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)s1 ZINC001574427752 948912267 /nfs/dbraw/zinc/91/22/67/948912267.db2.gz NFSMSAZRAPVSRQ-JTQLQIEISA-N -1 1 385.457 1.245 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001575235583 948921614 /nfs/dbraw/zinc/92/16/14/948921614.db2.gz PNRCYPKSBVNMAN-QGZVFWFLSA-N -1 1 392.414 1.521 20 0 GDADMM CC(C)c1ncncc1C(=O)N[C@H](C)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574431846 948929894 /nfs/dbraw/zinc/92/98/94/948929894.db2.gz CRKCUCVOJIJQQN-WDEREUQCSA-N -1 1 382.432 1.189 20 0 GDADMM CC(C)c1ncncc1C(=O)N[C@H](C)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574431846 948929910 /nfs/dbraw/zinc/92/99/10/948929910.db2.gz CRKCUCVOJIJQQN-WDEREUQCSA-N -1 1 382.432 1.189 20 0 GDADMM CC(F)(F)CCC(=O)N[C@](C)(CNc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001575236050 948932678 /nfs/dbraw/zinc/93/26/78/948932678.db2.gz UAZHOUXFVVUOBP-OAHLLOKOSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CCC(=O)N[C@](C)(CNc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001575236050 948932692 /nfs/dbraw/zinc/93/26/92/948932692.db2.gz UAZHOUXFVVUOBP-OAHLLOKOSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001575239084 948959150 /nfs/dbraw/zinc/95/91/50/948959150.db2.gz QIXFXVMYUMOYHL-QWRGUYRKSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001575239084 948959160 /nfs/dbraw/zinc/95/91/60/948959160.db2.gz QIXFXVMYUMOYHL-QWRGUYRKSA-N -1 1 380.403 1.789 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N(C)CCCNc1cncc(-c2nnn[n-]2)n1 ZINC001574433843 948966437 /nfs/dbraw/zinc/96/64/37/948966437.db2.gz SEDNBTDXLPXDRL-UHFFFAOYSA-N -1 1 384.448 1.088 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N(C)CCCNc1cncc(-c2nn[n-]n2)n1 ZINC001574433843 948966451 /nfs/dbraw/zinc/96/64/51/948966451.db2.gz SEDNBTDXLPXDRL-UHFFFAOYSA-N -1 1 384.448 1.088 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)C(F)F ZINC001573772845 948971829 /nfs/dbraw/zinc/97/18/29/948971829.db2.gz WYWBXQNDMPYTQS-VHSXEESVSA-N -1 1 380.403 1.067 20 0 GDADMM CC(C)(C(=O)NC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1ccccc1 ZINC001573774353 949009635 /nfs/dbraw/zinc/00/96/35/949009635.db2.gz NAYDWJYOCDNPOJ-OAHLLOKOSA-N -1 1 392.467 1.363 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccccc1 ZINC001573774550 949013226 /nfs/dbraw/zinc/01/32/26/949013226.db2.gz VBCVYWHICXYLKM-CQSZACIVSA-N -1 1 378.440 1.329 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccccc1 ZINC001573774550 949013242 /nfs/dbraw/zinc/01/32/42/949013242.db2.gz VBCVYWHICXYLKM-CQSZACIVSA-N -1 1 378.440 1.329 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)C(C)(C)CC(F)(F)F ZINC001574691261 949015491 /nfs/dbraw/zinc/01/54/91/949015491.db2.gz VQGPRDBHRMGOKR-SECBINFHSA-N -1 1 386.382 1.942 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)C(C)(C)CC(F)(F)F ZINC001574691261 949015567 /nfs/dbraw/zinc/01/55/67/949015567.db2.gz VQGPRDBHRMGOKR-SECBINFHSA-N -1 1 386.382 1.942 20 0 GDADMM CC(C)c1nnsc1C(=O)N(C)[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574440077 949019113 /nfs/dbraw/zinc/01/91/13/949019113.db2.gz MNQRNMPNBIECHP-SECBINFHSA-N -1 1 388.461 1.204 20 0 GDADMM CC(C)c1nnsc1C(=O)N(C)[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574440077 949019132 /nfs/dbraw/zinc/01/91/32/949019132.db2.gz MNQRNMPNBIECHP-SECBINFHSA-N -1 1 388.461 1.204 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@H]1CCC(C)(C)CO1 ZINC001574691299 949021792 /nfs/dbraw/zinc/02/17/92/949021792.db2.gz WHTQROIGICULJE-QWHCGFSZSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@H]1CCC(C)(C)CO1 ZINC001574691299 949021812 /nfs/dbraw/zinc/02/18/12/949021812.db2.gz WHTQROIGICULJE-QWHCGFSZSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)NCCC1(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574091665 949026767 /nfs/dbraw/zinc/02/67/67/949026767.db2.gz PZSJMHNKFODEOD-FZKQIMNGSA-N -1 1 384.488 1.459 20 0 GDADMM CC(C)(C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCC1)C(F)(F)F ZINC001573775051 949031949 /nfs/dbraw/zinc/03/19/49/949031949.db2.gz SQLAPVBXONWVLY-UHFFFAOYSA-N -1 1 384.366 1.118 20 0 GDADMM C[C@H](CNC(=O)COC(C)(C)C)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574927141 949034288 /nfs/dbraw/zinc/03/42/88/949034288.db2.gz FWHBDHXYYDXDOA-MRVPVSSYSA-N -1 1 387.897 1.733 20 0 GDADMM CC(C)[C@]1(C)C[C@H]1C(=O)NC1(CNc2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001574092044 949040695 /nfs/dbraw/zinc/04/06/95/949040695.db2.gz QVFVQJFCAPGCRH-UGSOOPFHSA-N -1 1 384.488 1.602 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)c1ccn(C)n1 ZINC001574693762 949061825 /nfs/dbraw/zinc/06/18/25/949061825.db2.gz IROIANBANXYREI-ZETCQYMHSA-N -1 1 381.853 1.331 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)c1ccn(C)n1 ZINC001574693762 949061847 /nfs/dbraw/zinc/06/18/47/949061847.db2.gz IROIANBANXYREI-ZETCQYMHSA-N -1 1 381.853 1.331 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573779453 949062566 /nfs/dbraw/zinc/06/25/66/949062566.db2.gz IKDSQJNKVJYHQQ-ZDUSSCGKSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573779676 949066212 /nfs/dbraw/zinc/06/62/12/949066212.db2.gz LTTDZYYVHZWHFK-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](CN(C)C(=O)C(C)(C)c1ccccc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574694131 949067345 /nfs/dbraw/zinc/06/73/45/949067345.db2.gz LUIUKKXISIYZGA-ZDUSSCGKSA-N -1 1 380.456 1.893 20 0 GDADMM C[C@@H](CN(C)C(=O)C(C)(C)c1ccccc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574694131 949067360 /nfs/dbraw/zinc/06/73/60/949067360.db2.gz LUIUKKXISIYZGA-ZDUSSCGKSA-N -1 1 380.456 1.893 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1 ZINC001573779822 949073848 /nfs/dbraw/zinc/07/38/48/949073848.db2.gz NGJRAWILDGWQDI-CQSZACIVSA-N -1 1 392.467 1.577 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1 ZINC001573779822 949073872 /nfs/dbraw/zinc/07/38/72/949073872.db2.gz NGJRAWILDGWQDI-CQSZACIVSA-N -1 1 392.467 1.577 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1)C1CCC1 ZINC001573780021 949075439 /nfs/dbraw/zinc/07/54/39/949075439.db2.gz PUKWZSQDTUNEOT-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1)C1CCC1 ZINC001573780021 949075463 /nfs/dbraw/zinc/07/54/63/949075463.db2.gz PUKWZSQDTUNEOT-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573780030 949077185 /nfs/dbraw/zinc/07/71/85/949077185.db2.gz QDIWKMXNTAXWMR-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)C1CCCC1 ZINC001573780105 949080002 /nfs/dbraw/zinc/08/00/02/949080002.db2.gz RRUUTXHOMWGZET-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573780105 949080016 /nfs/dbraw/zinc/08/00/16/949080016.db2.gz RRUUTXHOMWGZET-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCCCN1c1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573780279 949084384 /nfs/dbraw/zinc/08/43/84/949084384.db2.gz UZRJZGJHKIBLEO-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCCCN1c1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573780279 949084410 /nfs/dbraw/zinc/08/44/10/949084410.db2.gz UZRJZGJHKIBLEO-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)c1nocc1C(=O)NC1CC(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001574442054 949089678 /nfs/dbraw/zinc/08/96/78/949089678.db2.gz KJRZUIFXRGFISH-UHFFFAOYSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1nocc1C(=O)NC1CC(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001574442054 949089690 /nfs/dbraw/zinc/08/96/90/949089690.db2.gz KJRZUIFXRGFISH-UHFFFAOYSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1nocc1C(=O)NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574442036 949089790 /nfs/dbraw/zinc/08/97/90/949089790.db2.gz KBWGOJLXHVIWKF-UHFFFAOYSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1nocc1C(=O)NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574442036 949089811 /nfs/dbraw/zinc/08/98/11/949089811.db2.gz KBWGOJLXHVIWKF-UHFFFAOYSA-N -1 1 383.416 1.167 20 0 GDADMM C[C@H](CN(C)C(=O)C(C)(C)CC(F)(F)F)Nc1nccnc1-c1nnn[n-]1 ZINC001574694946 949096398 /nfs/dbraw/zinc/09/63/98/949096398.db2.gz XQXMEOWNYZJCNU-SECBINFHSA-N -1 1 386.382 1.894 20 0 GDADMM C[C@H](CN(C)C(=O)C(C)(C)CC(F)(F)F)Nc1nccnc1-c1nn[n-]n1 ZINC001574694946 949096418 /nfs/dbraw/zinc/09/64/18/949096418.db2.gz XQXMEOWNYZJCNU-SECBINFHSA-N -1 1 386.382 1.894 20 0 GDADMM CC(C)c1nocc1C(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574442724 949099188 /nfs/dbraw/zinc/09/91/88/949099188.db2.gz RZNXUUXOXFLBMK-UHFFFAOYSA-N -1 1 385.432 1.367 20 0 GDADMM CC(C)c1nocc1C(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574442724 949099216 /nfs/dbraw/zinc/09/92/16/949099216.db2.gz RZNXUUXOXFLBMK-UHFFFAOYSA-N -1 1 385.432 1.367 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1[nH]cnc1C(C)(C)C ZINC001574695163 949105440 /nfs/dbraw/zinc/10/54/40/949105440.db2.gz DBOWJCNYFJGVBI-SNVBAGLBSA-N -1 1 384.448 1.298 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1[nH]cnc1C(C)(C)C ZINC001574695163 949105453 /nfs/dbraw/zinc/10/54/53/949105453.db2.gz DBOWJCNYFJGVBI-SNVBAGLBSA-N -1 1 384.448 1.298 20 0 GDADMM CC(C)(C(=O)NCCNc1cnc(-c2nnn[n-]2)cn1)c1ccc(Cl)cc1 ZINC001573781609 949107602 /nfs/dbraw/zinc/10/76/02/949107602.db2.gz KKIDQMJTPUFWMC-UHFFFAOYSA-N -1 1 386.847 1.816 20 0 GDADMM CC(C)(C(=O)NCCNc1cnc(-c2nn[n-]n2)cn1)c1ccc(Cl)cc1 ZINC001573781609 949107616 /nfs/dbraw/zinc/10/76/16/949107616.db2.gz KKIDQMJTPUFWMC-UHFFFAOYSA-N -1 1 386.847 1.816 20 0 GDADMM CC(C)c1occc1C(=O)NCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001574445753 949111533 /nfs/dbraw/zinc/11/15/33/949111533.db2.gz BTWFZZGAWSGIKD-UHFFFAOYSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1occc1C(=O)NCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001574445753 949111545 /nfs/dbraw/zinc/11/15/45/949111545.db2.gz BTWFZZGAWSGIKD-UHFFFAOYSA-N -1 1 382.428 1.772 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccc(C(F)F)nc1 ZINC001574695922 949120543 /nfs/dbraw/zinc/12/05/43/949120543.db2.gz KSYJHTKJDWEUPZ-SECBINFHSA-N -1 1 389.370 1.610 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccc(C(F)F)nc1 ZINC001574695922 949120559 /nfs/dbraw/zinc/12/05/59/949120559.db2.gz KSYJHTKJDWEUPZ-SECBINFHSA-N -1 1 389.370 1.610 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)Cc1c(F)cccc1F ZINC001574696625 949139076 /nfs/dbraw/zinc/13/90/76/949139076.db2.gz SNEAACVCKDVTMZ-SNVBAGLBSA-N -1 1 388.382 1.484 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)Cc1c(F)cccc1F ZINC001574696625 949139088 /nfs/dbraw/zinc/13/90/88/949139088.db2.gz SNEAACVCKDVTMZ-SNVBAGLBSA-N -1 1 388.382 1.484 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1scnc1C1CC1 ZINC001574696824 949142414 /nfs/dbraw/zinc/14/24/14/949142414.db2.gz VLDGTXALLZGUIU-SECBINFHSA-N -1 1 385.457 1.611 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1scnc1C1CC1 ZINC001574696824 949142430 /nfs/dbraw/zinc/14/24/30/949142430.db2.gz VLDGTXALLZGUIU-SECBINFHSA-N -1 1 385.457 1.611 20 0 GDADMM C[C@H](CNC(=O)COc1ccccc1F)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574934357 949155731 /nfs/dbraw/zinc/15/57/31/949155731.db2.gz GCQMDQFMHYODRK-NSHDSACASA-N -1 1 386.391 1.039 20 0 GDADMM C[C@H](CNC(=O)COc1ccccc1F)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574934357 949155746 /nfs/dbraw/zinc/15/57/46/949155746.db2.gz GCQMDQFMHYODRK-NSHDSACASA-N -1 1 386.391 1.039 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001574447711 949168982 /nfs/dbraw/zinc/16/89/82/949168982.db2.gz YJVOVUKZDOYTBR-UHFFFAOYSA-N -1 1 383.416 1.121 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001574447711 949168990 /nfs/dbraw/zinc/16/89/90/949168990.db2.gz YJVOVUKZDOYTBR-UHFFFAOYSA-N -1 1 383.416 1.121 20 0 GDADMM CC(C)c1oncc1C(=O)N1C[C@H](C)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574449372 949194801 /nfs/dbraw/zinc/19/48/01/949194801.db2.gz QBKTYCOLIPMLBS-GXFFZTMASA-N -1 1 383.416 1.341 20 0 GDADMM CC(C)c1oncc1C(=O)N1C[C@H](C)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574449372 949194816 /nfs/dbraw/zinc/19/48/16/949194816.db2.gz QBKTYCOLIPMLBS-GXFFZTMASA-N -1 1 383.416 1.341 20 0 GDADMM C[C@H](NC(=O)C1(c2ccccc2)CC1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575253612 949195036 /nfs/dbraw/zinc/19/50/36/949195036.db2.gz KZDVGFKZNUGHDJ-STQMWFEESA-N -1 1 378.440 1.694 20 0 GDADMM C[C@H](NC(=O)C1(c2ccccc2)CC1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575253612 949195021 /nfs/dbraw/zinc/19/50/21/949195021.db2.gz KZDVGFKZNUGHDJ-STQMWFEESA-N -1 1 378.440 1.694 20 0 GDADMM CC(C)c1oncc1C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574448901 949197272 /nfs/dbraw/zinc/19/72/72/949197272.db2.gz PCOXYLFLPWWBIF-UHFFFAOYSA-N -1 1 383.416 1.121 20 0 GDADMM CC(C)c1oncc1C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574448901 949197287 /nfs/dbraw/zinc/19/72/87/949197287.db2.gz PCOXYLFLPWWBIF-UHFFFAOYSA-N -1 1 383.416 1.121 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(Cl)c(F)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574935391 949200764 /nfs/dbraw/zinc/20/07/64/949200764.db2.gz BDNNEXSJDBJTAM-VIFPVBQESA-N -1 1 390.810 1.609 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(Cl)c(F)c1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574935391 949200784 /nfs/dbraw/zinc/20/07/84/949200784.db2.gz BDNNEXSJDBJTAM-VIFPVBQESA-N -1 1 390.810 1.609 20 0 GDADMM CC(C)c1oncc1C(=O)N1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001574449906 949204542 /nfs/dbraw/zinc/20/45/42/949204542.db2.gz VMFHODSWBQKIDN-NSHDSACASA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1oncc1C(=O)N1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001574449906 949204565 /nfs/dbraw/zinc/20/45/65/949204565.db2.gz VMFHODSWBQKIDN-NSHDSACASA-N -1 1 383.416 1.485 20 0 GDADMM CC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)[C@H]2CCC(F)(F)C2)CC1 ZINC001575853953 949225631 /nfs/dbraw/zinc/22/56/31/949225631.db2.gz PGUNSHLQIWRHKZ-NSHDSACASA-N -1 1 392.414 1.885 20 0 GDADMM CC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)[C@H]2CCC(F)(F)C2)CC1 ZINC001575853953 949225645 /nfs/dbraw/zinc/22/56/45/949225645.db2.gz PGUNSHLQIWRHKZ-NSHDSACASA-N -1 1 392.414 1.885 20 0 GDADMM CC1(Nc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)c2ccc(Cl)[nH]2)CC1 ZINC001575854044 949225746 /nfs/dbraw/zinc/22/57/46/949225746.db2.gz ZEHPQXVKHDZTIN-UHFFFAOYSA-N -1 1 387.835 1.745 20 0 GDADMM CC1(Nc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)c2ccc(Cl)[nH]2)CC1 ZINC001575854044 949225764 /nfs/dbraw/zinc/22/57/64/949225764.db2.gz ZEHPQXVKHDZTIN-UHFFFAOYSA-N -1 1 387.835 1.745 20 0 GDADMM C[C@@H](NC(=O)C1(C(F)F)CCCC1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575255155 949227442 /nfs/dbraw/zinc/22/74/42/949227442.db2.gz YJIAHEGJTAFRKL-VHSXEESVSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@@H](NC(=O)C1(C(F)F)CCCC1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575255155 949227465 /nfs/dbraw/zinc/22/74/65/949227465.db2.gz YJIAHEGJTAFRKL-VHSXEESVSA-N -1 1 380.403 1.787 20 0 GDADMM CC(C)CC(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1nccnc1-c1nnn[n-]1 ZINC001574103133 949229428 /nfs/dbraw/zinc/22/94/28/949229428.db2.gz LGJBKMOSZDQUNZ-XQLPTFJDSA-N -1 1 382.472 1.376 20 0 GDADMM CC(C)CC(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1nccnc1-c1nn[n-]n1 ZINC001574103133 949229449 /nfs/dbraw/zinc/22/94/49/949229449.db2.gz LGJBKMOSZDQUNZ-XQLPTFJDSA-N -1 1 382.472 1.376 20 0 GDADMM CC(C)c1scnc1C(=O)N(C)CCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574451313 949229623 /nfs/dbraw/zinc/22/96/23/949229623.db2.gz MBNBAGNNJMYCCR-UHFFFAOYSA-N -1 1 387.473 1.445 20 0 GDADMM CC(C)c1scnc1C(=O)N(C)CCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574451313 949229641 /nfs/dbraw/zinc/22/96/41/949229641.db2.gz MBNBAGNNJMYCCR-UHFFFAOYSA-N -1 1 387.473 1.445 20 0 GDADMM CC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)[C@@H]2CCC(F)(F)C2)CC1 ZINC001575854636 949238422 /nfs/dbraw/zinc/23/84/22/949238422.db2.gz YLXYQKYLTKHZAI-LLVKDONJSA-N -1 1 392.414 1.307 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(F)c1F)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574940216 949257683 /nfs/dbraw/zinc/25/76/83/949257683.db2.gz BPPWTTVOKQNDDK-JTQLQIEISA-N -1 1 388.382 1.342 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(F)c1F)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574940216 949257705 /nfs/dbraw/zinc/25/77/05/949257705.db2.gz BPPWTTVOKQNDDK-JTQLQIEISA-N -1 1 388.382 1.342 20 0 GDADMM CC(C)n1cc(C(=O)N2CCC(Nc3cncc(-c4nnn[n-]4)n3)CC2)cn1 ZINC001574452504 949262959 /nfs/dbraw/zinc/26/29/59/949262959.db2.gz LKMXCYHOAKXSPF-UHFFFAOYSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1cc(C(=O)N2CCC(Nc3cncc(-c4nn[n-]n4)n3)CC2)cn1 ZINC001574452504 949262982 /nfs/dbraw/zinc/26/29/82/949262982.db2.gz LKMXCYHOAKXSPF-UHFFFAOYSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@H](NC(=O)C1(C2CC2)CC1)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575257166 949268965 /nfs/dbraw/zinc/26/89/65/949268965.db2.gz YOSXMVMQXBWKLN-QWHCGFSZSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](NC(=O)C1(C2CC2)CC1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575257166 949268986 /nfs/dbraw/zinc/26/89/86/949268986.db2.gz YOSXMVMQXBWKLN-QWHCGFSZSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](CNC(=O)Cc1ccccc1Cl)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574940721 949271978 /nfs/dbraw/zinc/27/19/78/949271978.db2.gz IWRZUUXVEVGRKX-LLVKDONJSA-N -1 1 386.847 1.494 20 0 GDADMM C[C@H]1CCC[C@@]1(C)C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001576153118 949274879 /nfs/dbraw/zinc/27/48/79/949274879.db2.gz KUOZNCRRCOKCEM-WZFJYNIESA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H]1CCC[C@@]1(C)C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001576153118 949274901 /nfs/dbraw/zinc/27/49/01/949274901.db2.gz KUOZNCRRCOKCEM-WZFJYNIESA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H](CNC(=O)Cc1ccco1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574940858 949278369 /nfs/dbraw/zinc/27/83/69/949278369.db2.gz LBHLHRBUVWDGSF-MRVPVSSYSA-N -1 1 381.849 1.977 20 0 GDADMM C[C@H](CNC(=O)Cc1ccco1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574940858 949278395 /nfs/dbraw/zinc/27/83/95/949278395.db2.gz LBHLHRBUVWDGSF-MRVPVSSYSA-N -1 1 381.849 1.977 20 0 GDADMM CC(C)CC(=O)N1CCCC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001574108267 949286503 /nfs/dbraw/zinc/28/65/03/949286503.db2.gz MHZJMBQRIDPRHF-IBGZPJMESA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)CC(=O)N1CCCC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001574108267 949286527 /nfs/dbraw/zinc/28/65/27/949286527.db2.gz MHZJMBQRIDPRHF-IBGZPJMESA-N -1 1 384.488 1.912 20 0 GDADMM C[C@@H](CN(C)C(=O)C1(C(F)F)CCCC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574702747 949289907 /nfs/dbraw/zinc/28/99/07/949289907.db2.gz LHHLKRGPNLWLJJ-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CN(C)C(=O)C1(C(F)F)CCCC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574702747 949289932 /nfs/dbraw/zinc/28/99/32/949289932.db2.gz LHHLKRGPNLWLJJ-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cnco1 ZINC001576153843 949302455 /nfs/dbraw/zinc/30/24/55/949302455.db2.gz BQNWYICZVCLSAG-GTNSWQLSSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cnco1 ZINC001576153843 949302479 /nfs/dbraw/zinc/30/24/79/949302479.db2.gz BQNWYICZVCLSAG-GTNSWQLSSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@H](CNC(=O)Cc1cc[nH]n1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574942702 949367141 /nfs/dbraw/zinc/36/71/41/949367141.db2.gz RJKVLZGONVDVGO-SSDOTTSWSA-N -1 1 381.853 1.107 20 0 GDADMM C[C@H](CNC(=O)Cc1cc[nH]n1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574942702 949367164 /nfs/dbraw/zinc/36/71/64/949367164.db2.gz RJKVLZGONVDVGO-SSDOTTSWSA-N -1 1 381.853 1.107 20 0 GDADMM CC(C)CC(=O)N[C@@H]1[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)[C@H]2C1(C)C ZINC001574111432 949378163 /nfs/dbraw/zinc/37/81/63/949378163.db2.gz HKINJLGUKHBGNV-JCURWCKSSA-N -1 1 384.488 1.812 20 0 GDADMM CC(C)CC(=O)N[C@@H]1[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)[C@H]2C1(C)C ZINC001574111432 949378184 /nfs/dbraw/zinc/37/81/84/949378184.db2.gz HKINJLGUKHBGNV-JCURWCKSSA-N -1 1 384.488 1.812 20 0 GDADMM C[C@@H]1CCC[C@@H](C(=O)NC2(C)CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001576155051 949379435 /nfs/dbraw/zinc/37/94/35/949379435.db2.gz SLKJTRLEFDNUBH-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCC[C@@H](C(=O)NC2(C)CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001576155051 949379459 /nfs/dbraw/zinc/37/94/59/949379459.db2.gz SLKJTRLEFDNUBH-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2c2nccnc2-c2nnn[n-]2)CC1 ZINC001575527974 949386195 /nfs/dbraw/zinc/38/61/95/949386195.db2.gz KMWYKLFCJJMJLL-DGAVXFQQSA-N -1 1 380.456 1.130 20 0 GDADMM CC1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2c2nccnc2-c2nn[n-]n2)CC1 ZINC001575527974 949386217 /nfs/dbraw/zinc/38/62/17/949386217.db2.gz KMWYKLFCJJMJLL-DGAVXFQQSA-N -1 1 380.456 1.130 20 0 GDADMM C[C@@H](NC(=O)CC(C)(C)C(F)(F)F)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575263112 949388373 /nfs/dbraw/zinc/38/83/73/949388373.db2.gz DQJUPFJJGPJALB-RKDXNWHRSA-N -1 1 386.382 1.940 20 0 GDADMM C[C@@H](NC(=O)CC(C)(C)C(F)(F)F)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575263112 949388395 /nfs/dbraw/zinc/38/83/95/949388395.db2.gz DQJUPFJJGPJALB-RKDXNWHRSA-N -1 1 386.382 1.940 20 0 GDADMM CC1(C)CN(C(=O)[C@@]2(C)CCCOC2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575528193 949390261 /nfs/dbraw/zinc/39/02/61/949390261.db2.gz OLGLZOJGSVUWOR-ACJLOTCBSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CN(C(=O)[C@@]2(C)CCCOC2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575528193 949390285 /nfs/dbraw/zinc/39/02/85/949390285.db2.gz OLGLZOJGSVUWOR-ACJLOTCBSA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)n1cnc(C(=O)N2CCC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001574463914 949391025 /nfs/dbraw/zinc/39/10/25/949391025.db2.gz BBZXBWRYGMXLQN-LBPRGKRZSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1cnc(C(=O)N2CCC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001574463914 949391033 /nfs/dbraw/zinc/39/10/33/949391033.db2.gz BBZXBWRYGMXLQN-LBPRGKRZSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1cnc(C(=O)N2CCC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001574463919 949394358 /nfs/dbraw/zinc/39/43/58/949394358.db2.gz BFWOAZYTCXOHRN-GFCCVEGCSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1cnc(C(=O)N2CCC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001574463919 949394376 /nfs/dbraw/zinc/39/43/76/949394376.db2.gz BFWOAZYTCXOHRN-GFCCVEGCSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@@H]1CCC[C@@]1(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001576155278 949397005 /nfs/dbraw/zinc/39/70/05/949397005.db2.gz ULEIXKSTTCKETG-VYGYDYRJSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H]1CCC[C@@]1(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001576155278 949397024 /nfs/dbraw/zinc/39/70/24/949397024.db2.gz ULEIXKSTTCKETG-VYGYDYRJSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H]1CCCC[C@@H]1C(=O)N(C)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576155321 949397256 /nfs/dbraw/zinc/39/72/56/949397256.db2.gz IBAYIQLDFKLHPX-HIFRSBDPSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](NC(=O)CC(C)(F)F)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575263414 949398080 /nfs/dbraw/zinc/39/80/80/949398080.db2.gz GXFSALPHDBGTFQ-QWRGUYRKSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H](NC(=O)CC(C)(F)F)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575263414 949398102 /nfs/dbraw/zinc/39/81/02/949398102.db2.gz GXFSALPHDBGTFQ-QWRGUYRKSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H]1CCC[C@@H](C(=O)NC2(C)CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001576155426 949401102 /nfs/dbraw/zinc/40/11/02/949401102.db2.gz UPYLTXFHVBMWKR-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCC[C@@H](C(=O)NC2(C)CCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001576155426 949401112 /nfs/dbraw/zinc/40/11/12/949401112.db2.gz UPYLTXFHVBMWKR-UONOGXRCSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cocn1 ZINC001576155354 949401939 /nfs/dbraw/zinc/40/19/39/949401939.db2.gz ILJRZWQBWJYUSF-GTNSWQLSSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cocn1 ZINC001576155354 949401961 /nfs/dbraw/zinc/40/19/61/949401961.db2.gz ILJRZWQBWJYUSF-GTNSWQLSSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@H](NC(=O)CC(F)(F)F)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575263687 949404441 /nfs/dbraw/zinc/40/44/41/949404441.db2.gz IUAMYLGONBQBNM-UWVGGRQHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](NC(=O)CC(F)(F)F)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575263687 949404456 /nfs/dbraw/zinc/40/44/56/949404456.db2.gz IUAMYLGONBQBNM-UWVGGRQHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](CN(C)C(=O)C1(c2cccnc2)CC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574705196 949415408 /nfs/dbraw/zinc/41/54/08/949415408.db2.gz SBPATGTWBZCNRZ-LBPRGKRZSA-N -1 1 379.428 1.042 20 0 GDADMM C[C@@H](CN(C)C(=O)C1(c2cccnc2)CC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574705196 949415422 /nfs/dbraw/zinc/41/54/22/949415422.db2.gz SBPATGTWBZCNRZ-LBPRGKRZSA-N -1 1 379.428 1.042 20 0 GDADMM C[C@H]1CCC[C@@]1(C)C(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001576155927 949421594 /nfs/dbraw/zinc/42/15/94/949421594.db2.gz WDERUYLMMYVNPG-WZFJYNIESA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H]1CCC[C@@]1(C)C(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001576155927 949421601 /nfs/dbraw/zinc/42/16/01/949421601.db2.gz WDERUYLMMYVNPG-WZFJYNIESA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H](CNC(=O)Cc1coc2ccccc12)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574945961 949423456 /nfs/dbraw/zinc/42/34/56/949423456.db2.gz QIGTYKSEEXEKMK-GFCCVEGCSA-N -1 1 392.423 1.587 20 0 GDADMM C[C@H](CNC(=O)Cc1coc2ccccc12)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574945961 949423466 /nfs/dbraw/zinc/42/34/66/949423466.db2.gz QIGTYKSEEXEKMK-GFCCVEGCSA-N -1 1 392.423 1.587 20 0 GDADMM C[C@H]1CCC[C@H]1CC(=O)N(C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576155897 949423607 /nfs/dbraw/zinc/42/36/07/949423607.db2.gz VYAWBNXCRVNBDN-KBPBESRZSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CCC[C@H]1CC(=O)N(C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576155897 949423627 /nfs/dbraw/zinc/42/36/27/949423627.db2.gz VYAWBNXCRVNBDN-KBPBESRZSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](CNC(=O)Cc1cnoc1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001574945935 949425748 /nfs/dbraw/zinc/42/57/48/949425748.db2.gz PMHCQPLTLGBWQL-SSDOTTSWSA-N -1 1 382.837 1.372 20 0 GDADMM C[C@H](CNC(=O)Cc1cnoc1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001574945935 949425758 /nfs/dbraw/zinc/42/57/58/949425758.db2.gz PMHCQPLTLGBWQL-SSDOTTSWSA-N -1 1 382.837 1.372 20 0 GDADMM C[C@H](CNC(=O)Cc1cscn1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574945990 949426213 /nfs/dbraw/zinc/42/62/13/949426213.db2.gz RFVIJIBSSUJUOP-ZCFIWIBFSA-N -1 1 384.878 1.592 20 0 GDADMM C[C@H](CNC(=O)Cc1cscn1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574945990 949426229 /nfs/dbraw/zinc/42/62/29/949426229.db2.gz RFVIJIBSSUJUOP-ZCFIWIBFSA-N -1 1 384.878 1.592 20 0 GDADMM CC1(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2cnc(-c3nnn[n-]3)cn2)CCCC1 ZINC001575534292 949429631 /nfs/dbraw/zinc/42/96/31/949429631.db2.gz MKVPTFNFXVRAEP-OKILXGFUSA-N -1 1 382.472 1.807 20 0 GDADMM CC1(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2cnc(-c3nn[n-]n3)cn2)CCCC1 ZINC001575534292 949429645 /nfs/dbraw/zinc/42/96/45/949429645.db2.gz MKVPTFNFXVRAEP-OKILXGFUSA-N -1 1 382.472 1.807 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1ccon1 ZINC001576156313 949439891 /nfs/dbraw/zinc/43/98/91/949439891.db2.gz MLOUMDPJCMVQIV-DIFFPNOSSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ccon1 ZINC001576156313 949439908 /nfs/dbraw/zinc/43/99/08/949439908.db2.gz MLOUMDPJCMVQIV-DIFFPNOSSA-N -1 1 383.416 1.436 20 0 GDADMM CC1(C(=O)N2CCC([C@H]3CCN(c4cncc(-c5nnn[n-]5)n4)C3)CC2)CC1 ZINC001575535560 949449529 /nfs/dbraw/zinc/44/95/29/949449529.db2.gz YOTDEVCRDFETJW-AWEZNQCLSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C(=O)N2CCC([C@H]3CCN(c4cncc(-c5nn[n-]n5)n4)C3)CC2)CC1 ZINC001575535560 949449547 /nfs/dbraw/zinc/44/95/47/949449547.db2.gz YOTDEVCRDFETJW-AWEZNQCLSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H]1CCC[C@@H]1CC(=O)N(C)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001576156701 949456871 /nfs/dbraw/zinc/45/68/71/949456871.db2.gz ZCPAXLZHOLWGHX-UONOGXRCSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CCC[C@@H]1CC(=O)N(C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001576156701 949456885 /nfs/dbraw/zinc/45/68/85/949456885.db2.gz ZCPAXLZHOLWGHX-UONOGXRCSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](CN(C)C(=O)C1CCC(F)(F)CC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574707302 949465503 /nfs/dbraw/zinc/46/55/03/949465503.db2.gz OOIKSWKETLECAT-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CN(C)C(=O)C1CCC(F)(F)CC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574707302 949465514 /nfs/dbraw/zinc/46/55/14/949465514.db2.gz OOIKSWKETLECAT-SNVBAGLBSA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)n1cnc(C(=O)N[C@H]2C[C@H](CNc3nccnc3-c3nnn[n-]3)C2)c1 ZINC001574469148 949472077 /nfs/dbraw/zinc/47/20/77/949472077.db2.gz XPLSILZUYALFSS-HAQNSBGRSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cnc(C(=O)N[C@H]2C[C@H](CNc3nccnc3-c3nn[n-]n3)C2)c1 ZINC001574469148 949472093 /nfs/dbraw/zinc/47/20/93/949472093.db2.gz XPLSILZUYALFSS-HAQNSBGRSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)CC(=O)NC[C@@H]1[C@H]2CN(c3snc(Cl)c3-c3nnn[n-]3)C[C@H]21 ZINC001574117935 949482502 /nfs/dbraw/zinc/48/25/02/949482502.db2.gz BMYZEXPGPOJOAB-OWUUHHOZSA-N -1 1 381.893 1.821 20 0 GDADMM CC(C)CC(=O)NC[C@@H]1[C@H]2CN(c3snc(Cl)c3-c3nn[n-]n3)C[C@H]21 ZINC001574117935 949482523 /nfs/dbraw/zinc/48/25/23/949482523.db2.gz BMYZEXPGPOJOAB-OWUUHHOZSA-N -1 1 381.893 1.821 20 0 GDADMM C[C@H](CN(C)C(=O)C1CCC(C2CC2)CC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574708227 949489137 /nfs/dbraw/zinc/48/91/37/949489137.db2.gz UKMCDLCOITZNKS-LRVUVFPRSA-N -1 1 384.488 1.554 20 0 GDADMM C[C@@H](Cc1ccccc1)C(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574949896 949520702 /nfs/dbraw/zinc/52/07/02/949520702.db2.gz GODWAALCJWQVGF-KBPBESRZSA-N -1 1 380.456 1.476 20 0 GDADMM C[C@@H](Cc1ccccc1)C(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574949896 949520721 /nfs/dbraw/zinc/52/07/21/949520721.db2.gz GODWAALCJWQVGF-KBPBESRZSA-N -1 1 380.456 1.476 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CC2CC(F)(F)C2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575871931 949523559 /nfs/dbraw/zinc/52/35/59/949523559.db2.gz DBTPDFRNUVYXED-JQWIXIFHSA-N -1 1 392.414 1.566 20 0 GDADMM CC(C)CC(=O)NC[C@@H]1c2ccccc2CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001574122455 949526081 /nfs/dbraw/zinc/52/60/81/949526081.db2.gz WXBGURLNJZOZFH-MRXNPFEDSA-N -1 1 392.467 1.923 20 0 GDADMM C[C@H]1CCCN(C(=O)CC2(O)CCC2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576163876 949543326 /nfs/dbraw/zinc/54/33/26/949543326.db2.gz DFPYGRONIFOOAQ-GXTWGEPZSA-N -1 1 386.460 1.001 20 0 GDADMM C[C@H]1CCCN(C(=O)CC2(O)CCC2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576163876 949543340 /nfs/dbraw/zinc/54/33/40/949543340.db2.gz DFPYGRONIFOOAQ-GXTWGEPZSA-N -1 1 386.460 1.001 20 0 GDADMM C[C@H](CC(=O)N(C)C1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001574472455 949551051 /nfs/dbraw/zinc/55/10/51/949551051.db2.gz VCHLKDUUTQKTFE-PNESKVBLSA-N -1 1 382.428 1.845 20 0 GDADMM C[C@H](CC(=O)N(C)C1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001574472455 949551074 /nfs/dbraw/zinc/55/10/74/949551074.db2.gz VCHLKDUUTQKTFE-PNESKVBLSA-N -1 1 382.428 1.845 20 0 GDADMM CC(C)C[C@@H](C(=O)N[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1)n1ccnc1 ZINC001574124121 949566631 /nfs/dbraw/zinc/56/66/31/949566631.db2.gz CEIXCTCAHNWNRV-JSGCOSHPSA-N -1 1 384.448 1.057 20 0 GDADMM CC(C)C[C@@H](C(=O)N[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574124121 949566649 /nfs/dbraw/zinc/56/66/49/949566649.db2.gz CEIXCTCAHNWNRV-JSGCOSHPSA-N -1 1 384.448 1.057 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CCn2cccc2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575873286 949578298 /nfs/dbraw/zinc/57/82/98/949578298.db2.gz AVCRBUBVAIFVAB-KBPBESRZSA-N -1 1 381.444 1.022 20 0 GDADMM CC(C)CC(=O)Nc1cccc(CNc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)c1 ZINC001574124755 949581080 /nfs/dbraw/zinc/58/10/80/949581080.db2.gz MJTFFJMALHAXFC-UHFFFAOYSA-N -1 1 398.427 1.263 20 0 GDADMM CC1(C(=O)N2CCC[C@H]3[C@@H]2CCN3c2cncc(-c3nnn[n-]3)n2)CCCC1 ZINC001575544384 949582599 /nfs/dbraw/zinc/58/25/99/949582599.db2.gz CCOGRXRIPLOEEH-GJZGRUSLSA-N -1 1 382.472 1.807 20 0 GDADMM CC1(C(=O)N2CCC[C@H]3[C@@H]2CCN3c2cncc(-c3nn[n-]n3)n2)CCCC1 ZINC001575544384 949582620 /nfs/dbraw/zinc/58/26/20/949582620.db2.gz CCOGRXRIPLOEEH-GJZGRUSLSA-N -1 1 382.472 1.807 20 0 GDADMM C[C@H]1CCCN(C(=O)C2CCCC2)[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576166659 949585016 /nfs/dbraw/zinc/58/50/16/949585016.db2.gz NFEOKCTUEYAIGD-ZFWWWQNUSA-N -1 1 384.488 1.698 20 0 GDADMM CC(C)C[C@@H](C(=O)NCc1ccc(-c2nn[n-]n2)s1)N1CCCCC1=O ZINC001574125231 949585196 /nfs/dbraw/zinc/58/51/96/949585196.db2.gz ONNBXNSEUHJHIE-ZDUSSCGKSA-N -1 1 376.486 1.972 20 0 GDADMM CC1(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)CC(F)(F)C1 ZINC001575545940 949604246 /nfs/dbraw/zinc/60/42/46/949604246.db2.gz NRKDQUWJQVLFGF-SNVBAGLBSA-N -1 1 378.387 1.495 20 0 GDADMM CC1(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)CC(F)(F)C1 ZINC001575545940 949604265 /nfs/dbraw/zinc/60/42/65/949604265.db2.gz NRKDQUWJQVLFGF-SNVBAGLBSA-N -1 1 378.387 1.495 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1COc2ccccc21)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574713848 949615449 /nfs/dbraw/zinc/61/54/49/949615449.db2.gz YJHGHWMYOVJUMV-YPMHNXCESA-N -1 1 380.412 1.092 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H]1COc2ccccc21)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574713848 949615462 /nfs/dbraw/zinc/61/54/62/949615462.db2.gz YJHGHWMYOVJUMV-YPMHNXCESA-N -1 1 380.412 1.092 20 0 GDADMM C[C@H](CC(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1)[C@H]1CCCO1 ZINC001574476778 949620096 /nfs/dbraw/zinc/62/00/96/949620096.db2.gz JUYURYBKSITMMH-IUODEOHRSA-N -1 1 390.513 1.776 20 0 GDADMM CC(C)CC(C)(C)C(=O)N1C[C@H](C)[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574128682 949627142 /nfs/dbraw/zinc/62/71/42/949627142.db2.gz OQVHQIMKXWHVJH-KBPBESRZSA-N -1 1 386.504 1.657 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@@H]1CCC(C)(C)CO1)Nc1nccnc1-c1nnn[n-]1 ZINC001574714434 949629672 /nfs/dbraw/zinc/62/96/72/949629672.db2.gz DATQKOPEALSBLA-OLZOCXBDSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@@H]1CCC(C)(C)CO1)Nc1nccnc1-c1nn[n-]n1 ZINC001574714434 949629693 /nfs/dbraw/zinc/62/96/93/949629693.db2.gz DATQKOPEALSBLA-OLZOCXBDSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CC(=O)N(C)CCCN(C)c1nccnc1-c1nnn[n-]1)c1ccco1 ZINC001574477029 949632983 /nfs/dbraw/zinc/63/29/83/949632983.db2.gz NFDDQIFMVVHRRG-CYBMUJFWSA-N -1 1 384.444 1.728 20 0 GDADMM C[C@H](CC(=O)N(C)CCCN(C)c1nccnc1-c1nn[n-]n1)c1ccco1 ZINC001574477029 949632994 /nfs/dbraw/zinc/63/29/94/949632994.db2.gz NFDDQIFMVVHRRG-CYBMUJFWSA-N -1 1 384.444 1.728 20 0 GDADMM C[C@@H]1[C@H](NC(=O)COC2CCCC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575876134 949641740 /nfs/dbraw/zinc/64/17/40/949641740.db2.gz JDSUOHXIVACXCY-TZMCWYRMSA-N -1 1 386.460 1.089 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cc(Cl)c[nH]1 ZINC001573815964 949665440 /nfs/dbraw/zinc/66/54/40/949665440.db2.gz MYLCVJWFAMQDFG-GFCCVEGCSA-N -1 1 389.851 1.895 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cc(Cl)c[nH]1 ZINC001573815964 949665460 /nfs/dbraw/zinc/66/54/60/949665460.db2.gz MYLCVJWFAMQDFG-GFCCVEGCSA-N -1 1 389.851 1.895 20 0 GDADMM C[C@H](CN(C)C(=O)CC1(C(F)(F)F)CC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574715814 949669541 /nfs/dbraw/zinc/66/95/41/949669541.db2.gz KRVMTFDFJIXTEJ-SECBINFHSA-N -1 1 384.366 1.070 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574958461 949676287 /nfs/dbraw/zinc/67/62/87/949676287.db2.gz KAVXWJRAFUFRBO-AEGPPILISA-N -1 1 378.440 1.401 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574958461 949676297 /nfs/dbraw/zinc/67/62/97/949676297.db2.gz KAVXWJRAFUFRBO-AEGPPILISA-N -1 1 378.440 1.401 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1CC2(CCC2)C1 ZINC001573816680 949685643 /nfs/dbraw/zinc/68/56/43/949685643.db2.gz UODSKWLJPWUSEG-CYBMUJFWSA-N -1 1 384.488 1.602 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CCc2ccco2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575880249 949697593 /nfs/dbraw/zinc/69/75/93/949697593.db2.gz SWDGLKFWXOJMMY-TZMCWYRMSA-N -1 1 382.428 1.356 20 0 GDADMM C[C@H]1[C@H](NC(=O)CCc2ccco2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575880246 949699134 /nfs/dbraw/zinc/69/91/34/949699134.db2.gz SWDGLKFWXOJMMY-GXTWGEPZSA-N -1 1 382.428 1.356 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C1CC(F)(F)C1 ZINC001573817753 949702482 /nfs/dbraw/zinc/70/24/82/949702482.db2.gz ATXSGMCQGGTXST-NSHDSACASA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C1CC(F)(F)C1 ZINC001573817753 949702498 /nfs/dbraw/zinc/70/24/98/949702498.db2.gz ATXSGMCQGGTXST-NSHDSACASA-N -1 1 380.403 1.645 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574478336 949704999 /nfs/dbraw/zinc/70/49/99/949704999.db2.gz YPCNVTRWTRJFKF-KBPBESRZSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@H](NC(=O)CCc1ccc(F)cc1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575276134 949709250 /nfs/dbraw/zinc/70/92/50/949709250.db2.gz GUESMGHSIDLMOQ-RYUDHWBXSA-N -1 1 384.419 1.734 20 0 GDADMM C[C@H](NC(=O)CCc1ccc(F)cc1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575276134 949709263 /nfs/dbraw/zinc/70/92/63/949709263.db2.gz GUESMGHSIDLMOQ-RYUDHWBXSA-N -1 1 384.419 1.734 20 0 GDADMM C[C@H]1CCCC[C@@H]1C(=O)N1CCC(N(C)c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576170605 949730496 /nfs/dbraw/zinc/73/04/96/949730496.db2.gz MGSKSNNPMUBQIT-ZFWWWQNUSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CCCC[C@@H]1C(=O)N1CCC(N(C)c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576170605 949730514 /nfs/dbraw/zinc/73/05/14/949730514.db2.gz MGSKSNNPMUBQIT-ZFWWWQNUSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCCN(C(=O)COCC2CC2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576170728 949733495 /nfs/dbraw/zinc/73/34/95/949733495.db2.gz NRGFLZRUPBZPRG-DOMZBBRYSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H]1CCCN(C(=O)COCC2CC2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576170728 949733503 /nfs/dbraw/zinc/73/35/03/949733503.db2.gz NRGFLZRUPBZPRG-DOMZBBRYSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@H]1CCC(C)(C)CO1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574717722 949741073 /nfs/dbraw/zinc/74/10/73/949741073.db2.gz WQYVVXJIJHEMKN-QWHCGFSZSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@H]1CCC(C)(C)CO1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574717722 949741084 /nfs/dbraw/zinc/74/10/84/949741084.db2.gz WQYVVXJIJHEMKN-QWHCGFSZSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001574480232 949746869 /nfs/dbraw/zinc/74/68/69/949746869.db2.gz HTROEBRRCBBAEP-CHWSQXEVSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001574480232 949746884 /nfs/dbraw/zinc/74/68/84/949746884.db2.gz HTROEBRRCBBAEP-CHWSQXEVSA-N -1 1 382.428 1.481 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1CCCOCC1 ZINC001573819256 949750891 /nfs/dbraw/zinc/75/08/91/949750891.db2.gz RRWAQNOJRPERBC-TZMCWYRMSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1CCCOCC1 ZINC001573819256 949750905 /nfs/dbraw/zinc/75/09/05/949750905.db2.gz RRWAQNOJRPERBC-TZMCWYRMSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@H]1CCCN(C(=O)CCCF)[C@@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576171334 949757896 /nfs/dbraw/zinc/75/78/96/949757896.db2.gz QJIFDWCUHPJGLU-GXTWGEPZSA-N -1 1 376.440 1.836 20 0 GDADMM C[C@H]1CCCN(C(=O)CCCF)[C@@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576171334 949757916 /nfs/dbraw/zinc/75/79/16/949757916.db2.gz QJIFDWCUHPJGLU-GXTWGEPZSA-N -1 1 376.440 1.836 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574480935 949762754 /nfs/dbraw/zinc/76/27/54/949762754.db2.gz LOVLQSKHCVUJEQ-QWHCGFSZSA-N -1 1 382.428 1.481 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cncc(F)c1 ZINC001573820313 949762980 /nfs/dbraw/zinc/76/29/80/949762980.db2.gz XJLPGQOMSOIZNP-CYBMUJFWSA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cncc(F)c1 ZINC001573820313 949763008 /nfs/dbraw/zinc/76/30/08/949763008.db2.gz XJLPGQOMSOIZNP-CYBMUJFWSA-N -1 1 385.407 1.447 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H](CN(C)c2nccnc2-c2nnn[n-]2)C1)C1CC1 ZINC001574481199 949768023 /nfs/dbraw/zinc/76/80/23/949768023.db2.gz NEOMZURPCGCWKF-ZIAGYGMSSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H](CN(C)c2nccnc2-c2nn[n-]n2)C1)C1CC1 ZINC001574481199 949768044 /nfs/dbraw/zinc/76/80/44/949768044.db2.gz NEOMZURPCGCWKF-ZIAGYGMSSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@@H]1CCC(F)(F)C1)Nc1nccnc1-c1nnn[n-]1 ZINC001574718183 949768752 /nfs/dbraw/zinc/76/87/52/949768752.db2.gz ZDVNQODPGVBMIR-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@@H]1CCC(F)(F)C1)Nc1nccnc1-c1nn[n-]n1 ZINC001574718183 949768770 /nfs/dbraw/zinc/76/87/70/949768770.db2.gz ZDVNQODPGVBMIR-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H]1CCCC[C@@H]1C(=O)NCCC1(CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576171695 949775563 /nfs/dbraw/zinc/77/55/63/949775563.db2.gz RDBOPFYYVJVJAL-KGLIPLIRSA-N -1 1 384.488 1.603 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C1(CCF)CC1 ZINC001573822223 949787181 /nfs/dbraw/zinc/78/71/81/949787181.db2.gz GWXXMNSBFVEXRN-NSHDSACASA-N -1 1 376.440 1.739 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C1(CCF)CC1 ZINC001573822223 949787196 /nfs/dbraw/zinc/78/71/96/949787196.db2.gz GWXXMNSBFVEXRN-NSHDSACASA-N -1 1 376.440 1.739 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C1C=CC=CC=C1 ZINC001573822364 949787356 /nfs/dbraw/zinc/78/73/56/949787356.db2.gz IBFZCBQEUBMLOG-AWEZNQCLSA-N -1 1 380.456 1.898 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C1C=CC=CC=C1 ZINC001573822364 949787372 /nfs/dbraw/zinc/78/73/72/949787372.db2.gz IBFZCBQEUBMLOG-AWEZNQCLSA-N -1 1 380.456 1.898 20 0 GDADMM C[C@@H]1CCCN(C(=O)COCC2CC2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576172038 949791427 /nfs/dbraw/zinc/79/14/27/949791427.db2.gz UIUGJTKZAWPBTA-DOMZBBRYSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H]1CCCN(C(=O)COCC2CC2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576172038 949791438 /nfs/dbraw/zinc/79/14/38/949791438.db2.gz UIUGJTKZAWPBTA-DOMZBBRYSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H](CN(C)c2cnc(-c3nnn[n-]3)cn2)C1)C1CC1 ZINC001574481702 949791570 /nfs/dbraw/zinc/79/15/70/949791570.db2.gz UGFLUEWGYVQIFO-KBPBESRZSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@@H](CN(C)c2cnc(-c3nn[n-]n3)cn2)C1)C1CC1 ZINC001574481702 949791581 /nfs/dbraw/zinc/79/15/81/949791581.db2.gz UGFLUEWGYVQIFO-KBPBESRZSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](CN(C)C(=O)CCCc1ccccc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574720609 949802254 /nfs/dbraw/zinc/80/22/54/949802254.db2.gz DUFCHJQQLYYJNQ-CQSZACIVSA-N -1 1 380.456 1.938 20 0 GDADMM C[C@H](CN(C)C(=O)CCCc1ccccc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574720609 949802277 /nfs/dbraw/zinc/80/22/77/949802277.db2.gz DUFCHJQQLYYJNQ-CQSZACIVSA-N -1 1 380.456 1.938 20 0 GDADMM CC1(C(=O)N[C@@H]2CCC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CC(F)(F)C1 ZINC001575561413 949802917 /nfs/dbraw/zinc/80/29/17/949802917.db2.gz AFZIZSHHUXQTQN-GHMZBOCLSA-N -1 1 392.414 1.931 20 0 GDADMM CC1(C(=O)N[C@@H]2CCC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CC(F)(F)C1 ZINC001575561413 949802932 /nfs/dbraw/zinc/80/29/32/949802932.db2.gz AFZIZSHHUXQTQN-GHMZBOCLSA-N -1 1 392.414 1.931 20 0 GDADMM CC1(C(=O)N[C@H]2CCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)CCOCC1 ZINC001575561832 949817336 /nfs/dbraw/zinc/81/73/36/949817336.db2.gz DEWOAQSGMJCKGZ-OLZOCXBDSA-N -1 1 386.460 1.170 20 0 GDADMM CC1(C(=O)N[C@H]2CCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)CCOCC1 ZINC001575561832 949817360 /nfs/dbraw/zinc/81/73/60/949817360.db2.gz DEWOAQSGMJCKGZ-OLZOCXBDSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@H](CNC(=O)c1c(F)cccc1Cl)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574965924 949827614 /nfs/dbraw/zinc/82/76/14/949827614.db2.gz OVCISYUVKDIXJL-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CNC(=O)c1c(F)cccc1Cl)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574965924 949827623 /nfs/dbraw/zinc/82/76/23/949827623.db2.gz OVCISYUVKDIXJL-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H]1CCCC[C@@H]1C(=O)NCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576173388 949842703 /nfs/dbraw/zinc/84/27/03/949842703.db2.gz YGKGQXATODNPHM-HIFRSBDPSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H]1CCCC[C@@H]1C(=O)NCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576173388 949842729 /nfs/dbraw/zinc/84/27/29/949842729.db2.gz YGKGQXATODNPHM-HIFRSBDPSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](CN(C)C(=O)CCCc1cccnc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574722874 949845758 /nfs/dbraw/zinc/84/57/58/949845758.db2.gz XKGBUZRPYWERQW-ZDUSSCGKSA-N -1 1 381.444 1.333 20 0 GDADMM C[C@@H](CN(C)C(=O)CCCc1cccnc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574722874 949845780 /nfs/dbraw/zinc/84/57/80/949845780.db2.gz XKGBUZRPYWERQW-ZDUSSCGKSA-N -1 1 381.444 1.333 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)NC[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001574141101 949848111 /nfs/dbraw/zinc/84/81/11/949848111.db2.gz QWTOKHJTIIPGAR-KGLIPLIRSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)NC[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001574141101 949848127 /nfs/dbraw/zinc/84/81/27/949848127.db2.gz QWTOKHJTIIPGAR-KGLIPLIRSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@H](CN(C)C(=O)CN(C)c1ccccc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574723682 949856191 /nfs/dbraw/zinc/85/61/91/949856191.db2.gz BKPPGBXMJBXUOA-CYBMUJFWSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@H](CN(C)C(=O)CN(C)c1ccccc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574723682 949856216 /nfs/dbraw/zinc/85/62/16/949856216.db2.gz BKPPGBXMJBXUOA-CYBMUJFWSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](CC(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1)n1cccn1 ZINC001574484120 949859448 /nfs/dbraw/zinc/85/94/48/949859448.db2.gz VYHSAWVIYWQNDC-ZDUSSCGKSA-N -1 1 386.485 1.420 20 0 GDADMM C[C@@H](CC(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1)[C@H]1CCCO1 ZINC001574484285 949873539 /nfs/dbraw/zinc/87/35/39/949873539.db2.gz XUVGEFOJBJCFCW-DZGCQCFKSA-N -1 1 390.513 1.778 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2cc(Cl)c[nH]2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575886447 949888184 /nfs/dbraw/zinc/88/81/84/949888184.db2.gz MJLOYFAJWRXPHG-GXSJLCMTSA-N -1 1 387.835 1.426 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2cc(Cl)c[nH]2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575886447 949888198 /nfs/dbraw/zinc/88/81/98/949888198.db2.gz MJLOYFAJWRXPHG-GXSJLCMTSA-N -1 1 387.835 1.426 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2cc(Cl)c[nH]2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575886980 949891867 /nfs/dbraw/zinc/89/18/67/949891867.db2.gz NLBGWFCGWAOBTN-MWLCHTKSSA-N -1 1 387.835 1.426 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2cc(Cl)c[nH]2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575886980 949891882 /nfs/dbraw/zinc/89/18/82/949891882.db2.gz NLBGWFCGWAOBTN-MWLCHTKSSA-N -1 1 387.835 1.426 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1)n1cccc1 ZINC001574484794 949904008 /nfs/dbraw/zinc/90/40/08/949904008.db2.gz OIOXEKVBWYGAFY-ZIAGYGMSSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1)n1cccc1 ZINC001574484794 949904027 /nfs/dbraw/zinc/90/40/27/949904027.db2.gz OIOXEKVBWYGAFY-ZIAGYGMSSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001574484856 949908228 /nfs/dbraw/zinc/90/82/28/949908228.db2.gz QAYHLQNGCQCBSC-YUELXQCFSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001574484856 949908248 /nfs/dbraw/zinc/90/82/48/949908248.db2.gz QAYHLQNGCQCBSC-YUELXQCFSA-N -1 1 382.472 1.663 20 0 GDADMM CC(C)(C)/C=C/C(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)C[C@H]1O ZINC001573827137 949912998 /nfs/dbraw/zinc/91/29/98/949912998.db2.gz JWZLYPWRIQUSEN-HOMPQPGZSA-N -1 1 397.892 1.245 20 0 GDADMM CC(C)(C)/C=C/C(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)C[C@H]1O ZINC001573827137 949913022 /nfs/dbraw/zinc/91/30/22/949913022.db2.gz JWZLYPWRIQUSEN-HOMPQPGZSA-N -1 1 397.892 1.245 20 0 GDADMM CC(C)(C)/C=C\C(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)C[C@@H]1O ZINC001573827139 949917086 /nfs/dbraw/zinc/91/70/86/949917086.db2.gz JWZLYPWRIQUSEN-KHTCFXRASA-N -1 1 397.892 1.245 20 0 GDADMM CC(C)(C)/C=C\C(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)C[C@@H]1O ZINC001573827139 949917105 /nfs/dbraw/zinc/91/71/05/949917105.db2.gz JWZLYPWRIQUSEN-KHTCFXRASA-N -1 1 397.892 1.245 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001574144625 949920414 /nfs/dbraw/zinc/92/04/14/949920414.db2.gz QLDWENXXVWJQKX-KGLIPLIRSA-N -1 1 388.476 1.193 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001574144625 949920436 /nfs/dbraw/zinc/92/04/36/949920436.db2.gz QLDWENXXVWJQKX-KGLIPLIRSA-N -1 1 388.476 1.193 20 0 GDADMM C[C@]1(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CCc2ccccc21 ZINC001575570204 949933307 /nfs/dbraw/zinc/93/33/07/949933307.db2.gz QGARGLAASQESGZ-VLIAUNLRSA-N -1 1 390.451 1.256 20 0 GDADMM C[C@]1(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CCc2ccccc21 ZINC001575570204 949933322 /nfs/dbraw/zinc/93/33/22/949933322.db2.gz QGARGLAASQESGZ-VLIAUNLRSA-N -1 1 390.451 1.256 20 0 GDADMM C[C@@H](NC(=O)COc1ccc(F)cc1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575285093 949933359 /nfs/dbraw/zinc/93/33/59/949933359.db2.gz YGUWUAITYKTPFN-MNOVXSKESA-N -1 1 386.391 1.180 20 0 GDADMM C[C@@H](NC(=O)COc1ccc(F)cc1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575285093 949933390 /nfs/dbraw/zinc/93/33/90/949933390.db2.gz YGUWUAITYKTPFN-MNOVXSKESA-N -1 1 386.391 1.180 20 0 GDADMM C[C@@H](CC(=O)N[C@@]1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574488837 949951631 /nfs/dbraw/zinc/95/16/31/949951631.db2.gz GQIHJNFJJGLSHO-XPTSAGLGSA-N -1 1 384.366 1.330 20 0 GDADMM CC1(C)CN(c2nccnc2-c2nnn[n-]2)C[C@H]1NC(=O)C1(C)CCCCC1 ZINC001575572297 949973773 /nfs/dbraw/zinc/97/37/73/949973773.db2.gz FHUHTQACRYNVNO-CYBMUJFWSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CN(c2nccnc2-c2nn[n-]n2)C[C@H]1NC(=O)C1(C)CCCCC1 ZINC001575572297 949973792 /nfs/dbraw/zinc/97/37/92/949973792.db2.gz FHUHTQACRYNVNO-CYBMUJFWSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccncc2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576180962 949982665 /nfs/dbraw/zinc/98/26/65/949982665.db2.gz KKRDUPSEPJLCNF-WFASDCNBSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccncc2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576180962 949982686 /nfs/dbraw/zinc/98/26/86/949982686.db2.gz KKRDUPSEPJLCNF-WFASDCNBSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2ccc(Cl)[nH]2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575891248 949996252 /nfs/dbraw/zinc/99/62/52/949996252.db2.gz GYHZQFPSFOIYEK-NXEZZACHSA-N -1 1 387.835 1.426 20 0 GDADMM C[C@]1(C(=O)NC[C@H](CO)Nc2nc(Cl)c(-c3nnn[n-]3)s2)C=CCC1 ZINC001575573552 949999506 /nfs/dbraw/zinc/99/95/06/949999506.db2.gz MYWPQEGDBBMYAL-CLAHSXSESA-N -1 1 383.865 1.222 20 0 GDADMM C[C@]1(C(=O)NC[C@H](CO)Nc2nc(Cl)c(-c3nn[n-]n3)s2)C=CCC1 ZINC001575573552 949999527 /nfs/dbraw/zinc/99/95/27/949999527.db2.gz MYWPQEGDBBMYAL-CLAHSXSESA-N -1 1 383.865 1.222 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2ccccc2O)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575891320 950002081 /nfs/dbraw/zinc/00/20/81/950002081.db2.gz HZIWNHJVMDBJQF-DGCLKSJQSA-N -1 1 380.412 1.150 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2ccccc2O)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575891320 950002107 /nfs/dbraw/zinc/00/21/07/950002107.db2.gz HZIWNHJVMDBJQF-DGCLKSJQSA-N -1 1 380.412 1.150 20 0 GDADMM C[C@@H](CC(=O)N1C[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1)C1CC1 ZINC001574490601 950006247 /nfs/dbraw/zinc/00/62/47/950006247.db2.gz WAMULXPIHYTGNZ-CFVMTHIKSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H](CC(=O)N1C[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1)C1CC1 ZINC001574490601 950006269 /nfs/dbraw/zinc/00/62/69/950006269.db2.gz WAMULXPIHYTGNZ-CFVMTHIKSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H]1CCN(C(=O)CC2CCCC2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576181658 950011248 /nfs/dbraw/zinc/01/12/48/950011248.db2.gz IQOJFDNFTVFHPR-DZGCQCFKSA-N -1 1 384.488 1.555 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2ccccc2F)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575891658 950021595 /nfs/dbraw/zinc/02/15/95/950021595.db2.gz MKGTTWMXOOCGIV-BXUZGUMPSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@H]1CCN(C(=O)Cc2ccco2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576181996 950030333 /nfs/dbraw/zinc/03/03/33/950030333.db2.gz KESBHNWOSMCACT-STQMWFEESA-N -1 1 382.428 1.389 20 0 GDADMM C[C@H]1CCN(C(=O)Cc2ccco2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576181996 950030353 /nfs/dbraw/zinc/03/03/53/950030353.db2.gz KESBHNWOSMCACT-STQMWFEESA-N -1 1 382.428 1.389 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2cccc(F)c2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575891841 950031176 /nfs/dbraw/zinc/03/11/76/950031176.db2.gz OHWDKHSQEZQIHJ-BXUZGUMPSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2cccc(F)c2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575891841 950031199 /nfs/dbraw/zinc/03/11/99/950031199.db2.gz OHWDKHSQEZQIHJ-BXUZGUMPSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@@H](CN(C)C(=O)Cn1cccn1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574730820 950035488 /nfs/dbraw/zinc/03/54/88/950035488.db2.gz BRDAZCRVRRYBRO-QMMMGPOBSA-N -1 1 381.853 1.132 20 0 GDADMM C[C@@H](CN(C)C(=O)Cn1cccn1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574730820 950035510 /nfs/dbraw/zinc/03/55/10/950035510.db2.gz BRDAZCRVRRYBRO-QMMMGPOBSA-N -1 1 381.853 1.132 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2)C1CC1 ZINC001574491837 950053457 /nfs/dbraw/zinc/05/34/57/950053457.db2.gz GSCJNZAFHISDDB-SWLSCSKDSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2)C1CC1 ZINC001574491837 950053482 /nfs/dbraw/zinc/05/34/82/950053482.db2.gz GSCJNZAFHISDDB-SWLSCSKDSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1c(F)cccc1F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574731965 950059477 /nfs/dbraw/zinc/05/94/77/950059477.db2.gz YXOZIUGFLYTLAN-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1c(F)cccc1F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574731965 950059506 /nfs/dbraw/zinc/05/95/06/950059506.db2.gz YXOZIUGFLYTLAN-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2cccc(F)c2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575892288 950064711 /nfs/dbraw/zinc/06/47/11/950064711.db2.gz VJZHVSCJMKFRLN-BXUZGUMPSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2cccc(F)c2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575892288 950064730 /nfs/dbraw/zinc/06/47/30/950064730.db2.gz VJZHVSCJMKFRLN-BXUZGUMPSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@@H]1CCN(C(=O)C2=COCCC2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576182877 950069429 /nfs/dbraw/zinc/06/94/29/950069429.db2.gz NTZZIKWTUALKQB-OCCSQVGLSA-N -1 1 384.444 1.248 20 0 GDADMM C[C@@H]1CCN(C(=O)C2=COCCC2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576182877 950069450 /nfs/dbraw/zinc/06/94/50/950069450.db2.gz NTZZIKWTUALKQB-OCCSQVGLSA-N -1 1 384.444 1.248 20 0 GDADMM C[C@H](CC(=O)N[C@]12CCC[C@@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2)C1CC1 ZINC001574492479 950089042 /nfs/dbraw/zinc/08/90/42/950089042.db2.gz NFZJTAIJBPHYPR-YFROIQMUSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H](CC(=O)N[C@]12CCC[C@@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2)C1CC1 ZINC001574492479 950089060 /nfs/dbraw/zinc/08/90/60/950089060.db2.gz NFZJTAIJBPHYPR-YFROIQMUSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@@H](CC(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)c1ccco1 ZINC001574492579 950091630 /nfs/dbraw/zinc/09/16/30/950091630.db2.gz BLYQUYIVSOIAMG-LBPRGKRZSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](CC(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)c1ccco1 ZINC001574492579 950091653 /nfs/dbraw/zinc/09/16/53/950091653.db2.gz BLYQUYIVSOIAMG-LBPRGKRZSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H]1CCN(C(=O)Cc2ccco2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576183617 950094251 /nfs/dbraw/zinc/09/42/51/950094251.db2.gz QRWMBCSNDVPRML-STQMWFEESA-N -1 1 382.428 1.389 20 0 GDADMM C[C@H]1CCN(C(=O)Cc2ccco2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576183617 950094270 /nfs/dbraw/zinc/09/42/70/950094270.db2.gz QRWMBCSNDVPRML-STQMWFEESA-N -1 1 382.428 1.389 20 0 GDADMM C[C@@H]1CCN(C(=O)Cc2ccco2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576183614 950097690 /nfs/dbraw/zinc/09/76/90/950097690.db2.gz QRWMBCSNDVPRML-CHWSQXEVSA-N -1 1 382.428 1.389 20 0 GDADMM C[C@@H]1CCN(C(=O)Cc2ccco2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576183614 950097710 /nfs/dbraw/zinc/09/77/10/950097710.db2.gz QRWMBCSNDVPRML-CHWSQXEVSA-N -1 1 382.428 1.389 20 0 GDADMM C[C@H]1CCN(C(=O)C2(CF)CCC2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576183909 950104784 /nfs/dbraw/zinc/10/47/84/950104784.db2.gz SCEUUCRFKFXFCP-QWHCGFSZSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@H]1CCN(C(=O)C2(CF)CCC2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576183909 950104795 /nfs/dbraw/zinc/10/47/95/950104795.db2.gz SCEUUCRFKFXFCP-QWHCGFSZSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574733422 950109824 /nfs/dbraw/zinc/10/98/24/950109824.db2.gz AOJWGBCZUUSLDZ-VHDGCEQUSA-N -1 1 378.440 1.719 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574733422 950109837 /nfs/dbraw/zinc/10/98/37/950109837.db2.gz AOJWGBCZUUSLDZ-VHDGCEQUSA-N -1 1 378.440 1.719 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cn[nH]c2)[C@@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576184623 950138189 /nfs/dbraw/zinc/13/81/89/950138189.db2.gz WVUKGQVZXIUJKT-SMDDNHRTSA-N -1 1 382.432 1.123 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cn[nH]c2)[C@@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576184623 950138200 /nfs/dbraw/zinc/13/82/00/950138200.db2.gz WVUKGQVZXIUJKT-SMDDNHRTSA-N -1 1 382.432 1.123 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](CO)Nc1nccnc1-c1nnn[n-]1)C1CCCCC1 ZINC001574493850 950140395 /nfs/dbraw/zinc/14/03/95/950140395.db2.gz IGFOSDHWCIWKPV-GXTWGEPZSA-N -1 1 388.476 1.152 20 0 GDADMM C[C@@H](CC(=O)NC[C@H](CO)Nc1nccnc1-c1nn[n-]n1)C1CCCCC1 ZINC001574493850 950140408 /nfs/dbraw/zinc/14/04/08/950140408.db2.gz IGFOSDHWCIWKPV-GXTWGEPZSA-N -1 1 388.476 1.152 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccco1 ZINC001574494246 950156307 /nfs/dbraw/zinc/15/63/07/950156307.db2.gz YBPDQRBMMUOVFZ-STQMWFEESA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574494246 950156325 /nfs/dbraw/zinc/15/63/25/950156325.db2.gz YBPDQRBMMUOVFZ-STQMWFEESA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nn1)CC(C)(C)C ZINC001574494324 950161189 /nfs/dbraw/zinc/16/11/89/950161189.db2.gz KGIVBMVXYUPTSO-NEPJUHHUSA-N -1 1 376.465 1.008 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nn1)CC(C)(C)C ZINC001574494324 950161200 /nfs/dbraw/zinc/16/12/00/950161200.db2.gz KGIVBMVXYUPTSO-NEPJUHHUSA-N -1 1 376.465 1.008 20 0 GDADMM CC1(C(=O)NCC2(Nc3cnc(-c4nnn[n-]4)cn3)CCOCC2)CCCC1 ZINC001575584161 950163168 /nfs/dbraw/zinc/16/31/68/950163168.db2.gz WDPVNNRLQGYJPI-UHFFFAOYSA-N -1 1 386.460 1.314 20 0 GDADMM CC1(C(=O)NCC2(Nc3cnc(-c4nn[n-]n4)cn3)CCOCC2)CCCC1 ZINC001575584161 950163179 /nfs/dbraw/zinc/16/31/79/950163179.db2.gz WDPVNNRLQGYJPI-UHFFFAOYSA-N -1 1 386.460 1.314 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccco1 ZINC001574494453 950163866 /nfs/dbraw/zinc/16/38/66/950163866.db2.gz ZBDVMHQPEZSULS-CHWSQXEVSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccco1 ZINC001574494453 950163879 /nfs/dbraw/zinc/16/38/79/950163879.db2.gz ZBDVMHQPEZSULS-CHWSQXEVSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](CC(=O)N[C@@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001574494469 950165597 /nfs/dbraw/zinc/16/55/97/950165597.db2.gz ZIMFLWVICALBOU-SGTLLEGYSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](CC(=O)N[C@@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001574494469 950165611 /nfs/dbraw/zinc/16/56/11/950165611.db2.gz ZIMFLWVICALBOU-SGTLLEGYSA-N -1 1 382.428 1.529 20 0 GDADMM CC(C)(C)CC[C@@H](NS(=O)(=O)Cc1csc(-c2nn[n-]n2)c1)C(N)=O ZINC001573843471 950176733 /nfs/dbraw/zinc/17/67/33/950176733.db2.gz ZDKVPYSGWQEURQ-SNVBAGLBSA-N -1 1 386.503 1.028 20 0 GDADMM CC1(C(=O)NC[C@@H]2CCCCN2c2ccnc(-c3nn[n-]n3)n2)CC(F)(F)C1 ZINC001575584755 950177117 /nfs/dbraw/zinc/17/71/17/950177117.db2.gz SAMXTMKZSCVBKB-NSHDSACASA-N -1 1 392.414 1.567 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1ncccc1F ZINC001574154993 950177641 /nfs/dbraw/zinc/17/76/41/950177641.db2.gz HOORGMDWUNVUBX-NSHDSACASA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ncccc1F ZINC001574154993 950177657 /nfs/dbraw/zinc/17/76/57/950177657.db2.gz HOORGMDWUNVUBX-NSHDSACASA-N -1 1 385.407 1.447 20 0 GDADMM CC1(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)nn3)CCOCC2)CCCC1 ZINC001575584650 950179319 /nfs/dbraw/zinc/17/93/19/950179319.db2.gz ZRDNXXFPIRVWEG-UHFFFAOYSA-N -1 1 386.460 1.314 20 0 GDADMM CC1(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)nn3)CCOCC2)CCCC1 ZINC001575584650 950179333 /nfs/dbraw/zinc/17/93/33/950179333.db2.gz ZRDNXXFPIRVWEG-UHFFFAOYSA-N -1 1 386.460 1.314 20 0 GDADMM CC(C)[C@@H](CNC(=O)C[C@H](C)c1ccco1)Nc1nccnc1-c1nnn[n-]1 ZINC001574494755 950182786 /nfs/dbraw/zinc/18/27/86/950182786.db2.gz NSMWXFUNEQIUFU-QWHCGFSZSA-N -1 1 384.444 1.996 20 0 GDADMM CC(C)[C@@H](CNC(=O)C[C@H](C)c1ccco1)Nc1nccnc1-c1nn[n-]n1 ZINC001574494755 950182799 /nfs/dbraw/zinc/18/27/99/950182799.db2.gz NSMWXFUNEQIUFU-QWHCGFSZSA-N -1 1 384.444 1.996 20 0 GDADMM CC1(C(=O)NC[C@@H]2[C@H]3CN(c4snc(Cl)c4-c4nnn[n-]4)C[C@H]32)CC1 ZINC001575585465 950193713 /nfs/dbraw/zinc/19/37/13/950193713.db2.gz ZUXLJGRBDAMKAU-PSVAKVPMSA-N -1 1 379.877 1.575 20 0 GDADMM CC1(C(=O)NC[C@@H]2[C@H]3CN(c4snc(Cl)c4-c4nn[n-]n4)C[C@H]32)CC1 ZINC001575585465 950193729 /nfs/dbraw/zinc/19/37/29/950193729.db2.gz ZUXLJGRBDAMKAU-PSVAKVPMSA-N -1 1 379.877 1.575 20 0 GDADMM C[C@H]1CCN(C(=O)c2cccs2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576191330 950193904 /nfs/dbraw/zinc/19/39/04/950193904.db2.gz FADWPZPQTCGDFM-RYUDHWBXSA-N -1 1 384.469 1.929 20 0 GDADMM C[C@H]1CCN(C(=O)c2cccs2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576191330 950193914 /nfs/dbraw/zinc/19/39/14/950193914.db2.gz FADWPZPQTCGDFM-RYUDHWBXSA-N -1 1 384.469 1.929 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccns2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576191465 950200138 /nfs/dbraw/zinc/20/01/38/950200138.db2.gz GOTSMTSTCUZQQD-QWRGUYRKSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccns2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576191465 950200148 /nfs/dbraw/zinc/20/01/48/950200148.db2.gz GOTSMTSTCUZQQD-QWRGUYRKSA-N -1 1 385.457 1.324 20 0 GDADMM CC1(C(=O)NC[C@@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)CC(F)(F)C1 ZINC001575585646 950201613 /nfs/dbraw/zinc/20/16/13/950201613.db2.gz BTJDNNLYDJEVCH-JTQLQIEISA-N -1 1 378.387 1.177 20 0 GDADMM CC1(C(=O)NC[C@@H]2CCCN2c2cncc(-c3nn[n-]n3)n2)CC(F)(F)C1 ZINC001575585646 950201627 /nfs/dbraw/zinc/20/16/27/950201627.db2.gz BTJDNNLYDJEVCH-JTQLQIEISA-N -1 1 378.387 1.177 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2sccc2F)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575900673 950204544 /nfs/dbraw/zinc/20/45/44/950204544.db2.gz HDXYMIWNPIQKDX-ONGXEEELSA-N -1 1 388.432 1.645 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2sccc2F)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575900673 950204573 /nfs/dbraw/zinc/20/45/73/950204573.db2.gz HDXYMIWNPIQKDX-ONGXEEELSA-N -1 1 388.432 1.645 20 0 GDADMM C[C@H](CNC(=O)c1c[nH]cc1-c1ccccc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574983443 950218234 /nfs/dbraw/zinc/21/82/34/950218234.db2.gz NVGFAMPXROKCLP-GFCCVEGCSA-N -1 1 389.423 1.882 20 0 GDADMM C[C@H](CNC(=O)c1c[nH]cc1-c1ccccc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574983443 950218254 /nfs/dbraw/zinc/21/82/54/950218254.db2.gz NVGFAMPXROKCLP-GFCCVEGCSA-N -1 1 389.423 1.882 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccsc2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576192120 950226997 /nfs/dbraw/zinc/22/69/97/950226997.db2.gz JXLPEDDQBHCIMC-YPMHNXCESA-N -1 1 384.469 1.929 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccsc2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576192120 950227014 /nfs/dbraw/zinc/22/70/14/950227014.db2.gz JXLPEDDQBHCIMC-YPMHNXCESA-N -1 1 384.469 1.929 20 0 GDADMM CC1(C(=O)NC[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CCCCCC1 ZINC001575588179 950248162 /nfs/dbraw/zinc/24/81/62/950248162.db2.gz QCDAYIWMXBFZRZ-AWEZNQCLSA-N -1 1 384.488 1.960 20 0 GDADMM C[C@H](CC(=O)NCC1CC(Nc2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001574498086 950262330 /nfs/dbraw/zinc/26/23/30/950262330.db2.gz JRLQJRLWORKCAA-PNESKVBLSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](CC(=O)NCC1CC(Nc2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001574498086 950262355 /nfs/dbraw/zinc/26/23/55/950262355.db2.gz JRLQJRLWORKCAA-PNESKVBLSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](CC(=O)NCC1CC(Nc2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001574498654 950278698 /nfs/dbraw/zinc/27/86/98/950278698.db2.gz PCAKWOAXRPTFSS-XNWIYYODSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](CC(=O)NCC1CC(Nc2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001574498654 950278714 /nfs/dbraw/zinc/27/87/14/950278714.db2.gz PCAKWOAXRPTFSS-XNWIYYODSA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H](C)n1cccc1 ZINC001574158764 950286077 /nfs/dbraw/zinc/28/60/77/950286077.db2.gz SCMSVUAWHSWAIM-KBPBESRZSA-N -1 1 383.460 1.662 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H](C)n1cccc1 ZINC001574158764 950286095 /nfs/dbraw/zinc/28/60/95/950286095.db2.gz SCMSVUAWHSWAIM-KBPBESRZSA-N -1 1 383.460 1.662 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccc(Cl)[nH]1 ZINC001574158791 950289809 /nfs/dbraw/zinc/28/98/09/950289809.db2.gz SPVBZASNHQCNNN-SNVBAGLBSA-N -1 1 389.851 1.895 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccc(Cl)[nH]1 ZINC001574158791 950289828 /nfs/dbraw/zinc/28/98/28/950289828.db2.gz SPVBZASNHQCNNN-SNVBAGLBSA-N -1 1 389.851 1.895 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H](C)n1cccn1 ZINC001574158793 950291926 /nfs/dbraw/zinc/29/19/26/950291926.db2.gz SSJCRTNONFQAHH-OLZOCXBDSA-N -1 1 384.448 1.057 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H](C)n1cccn1 ZINC001574158793 950291943 /nfs/dbraw/zinc/29/19/43/950291943.db2.gz SSJCRTNONFQAHH-OLZOCXBDSA-N -1 1 384.448 1.057 20 0 GDADMM CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)NCc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573852000 950297986 /nfs/dbraw/zinc/29/79/86/950297986.db2.gz BKKIVPZXRYJNSH-LBPRGKRZSA-N -1 1 396.448 1.749 20 0 GDADMM C[C@H]1CCN(C(=O)c2cccn2C)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576193527 950300799 /nfs/dbraw/zinc/30/07/99/950300799.db2.gz VSZVCLUCOZJDCP-QWHCGFSZSA-N -1 1 381.444 1.206 20 0 GDADMM C[C@H]1CCN(C(=O)c2cccn2C)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576193527 950300819 /nfs/dbraw/zinc/30/08/19/950300819.db2.gz VSZVCLUCOZJDCP-QWHCGFSZSA-N -1 1 381.444 1.206 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@@H](C2(NC(=O)c3coc(-c4nnn[n-]4)c3)CC2)C1 ZINC001573852861 950311343 /nfs/dbraw/zinc/31/13/43/950311343.db2.gz KCSZNGIZFQJWHH-GFCCVEGCSA-N -1 1 388.428 1.979 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@@H](C2(NC(=O)c3coc(-c4nn[n-]n4)c3)CC2)C1 ZINC001573852861 950311359 /nfs/dbraw/zinc/31/13/59/950311359.db2.gz KCSZNGIZFQJWHH-GFCCVEGCSA-N -1 1 388.428 1.979 20 0 GDADMM CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)NCc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573852913 950313463 /nfs/dbraw/zinc/31/34/63/950313463.db2.gz LBHKWRCNPGDWEU-LLVKDONJSA-N -1 1 390.469 1.801 20 0 GDADMM CC1(C(=O)NC[C@H]2COCCN2c2nc(Cl)c(-c3nnn[n-]3)s2)CC1 ZINC001575594965 950343109 /nfs/dbraw/zinc/34/31/09/950343109.db2.gz MLAQHXAYVHEWCE-QMMMGPOBSA-N -1 1 383.865 1.098 20 0 GDADMM CC1(C(=O)NC[C@H]2COCCN2c2nc(Cl)c(-c3nn[n-]n3)s2)CC1 ZINC001575594965 950343131 /nfs/dbraw/zinc/34/31/31/950343131.db2.gz MLAQHXAYVHEWCE-QMMMGPOBSA-N -1 1 383.865 1.098 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC001574501924 950346658 /nfs/dbraw/zinc/34/66/58/950346658.db2.gz HMHLDQMXYYUBCC-STQMWFEESA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC001574501924 950346679 /nfs/dbraw/zinc/34/66/79/950346679.db2.gz HMHLDQMXYYUBCC-STQMWFEESA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001574502185 950362978 /nfs/dbraw/zinc/36/29/78/950362978.db2.gz KFWCGVQCOBXEPE-QWHCGFSZSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001574502185 950363000 /nfs/dbraw/zinc/36/30/00/950363000.db2.gz KFWCGVQCOBXEPE-QWHCGFSZSA-N -1 1 382.428 1.386 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C1(F)CCCC1 ZINC001574161785 950370057 /nfs/dbraw/zinc/37/00/57/950370057.db2.gz XDLFUCPIUUSRJQ-LBPRGKRZSA-N -1 1 376.440 1.882 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C1(F)CCCC1 ZINC001574161785 950370067 /nfs/dbraw/zinc/37/00/67/950370067.db2.gz XDLFUCPIUUSRJQ-LBPRGKRZSA-N -1 1 376.440 1.882 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CC[C@H]1CCCO1 ZINC001574162540 950386323 /nfs/dbraw/zinc/38/63/23/950386323.db2.gz CTBZSQGBVHQOMX-UONOGXRCSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CC[C@H]1CCCO1 ZINC001574162540 950386343 /nfs/dbraw/zinc/38/63/43/950386343.db2.gz CTBZSQGBVHQOMX-UONOGXRCSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)c1cc(C(=O)N(C)C[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)nn1C ZINC001574747829 950416754 /nfs/dbraw/zinc/41/67/54/950416754.db2.gz YMKARQQIDWMYOK-NSHDSACASA-N -1 1 384.448 1.086 20 0 GDADMM CC(C)c1cc(C(=O)N(C)C[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)nn1C ZINC001574747829 950416768 /nfs/dbraw/zinc/41/67/68/950416768.db2.gz YMKARQQIDWMYOK-NSHDSACASA-N -1 1 384.448 1.086 20 0 GDADMM CC(C)CC1(C(=O)N2CC[C@H](N(C)c3ccc(-c4nnn[n-]4)nn3)C2)CCC1 ZINC001574163145 950419499 /nfs/dbraw/zinc/41/94/99/950419499.db2.gz QDPJFOBLAOZMRS-AWEZNQCLSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CC1(C(=O)N2CC[C@H](N(C)c3ccc(-c4nn[n-]n4)nn3)C2)CCC1 ZINC001574163145 950419506 /nfs/dbraw/zinc/41/95/06/950419506.db2.gz QDPJFOBLAOZMRS-AWEZNQCLSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)C[C@@H](CNc1ncccc1-c1nn[nH]n1)NC(=O)c1ncccc1[O-] ZINC001574163555 950428472 /nfs/dbraw/zinc/42/84/72/950428472.db2.gz VXDHSYMDCWHQCS-LBPRGKRZSA-N -1 1 382.428 1.619 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccc(=O)[nH]c1 ZINC001574163575 950432337 /nfs/dbraw/zinc/43/23/37/950432337.db2.gz WHAQVXXMTAFEPU-GFCCVEGCSA-N -1 1 383.416 1.014 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccc(=O)[nH]c1 ZINC001574163575 950432351 /nfs/dbraw/zinc/43/23/51/950432351.db2.gz WHAQVXXMTAFEPU-GFCCVEGCSA-N -1 1 383.416 1.014 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc(Cl)cs1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574750726 950439330 /nfs/dbraw/zinc/43/93/30/950439330.db2.gz GQANNDUMQZIYNL-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc(Cl)cs1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574750726 950439342 /nfs/dbraw/zinc/43/93/42/950439342.db2.gz GQANNDUMQZIYNL-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM CC(C)CC1(C(=O)NC[C@@H](CO)Nc2ccc(-c3nnn[n-]3)nn2)CCCC1 ZINC001574165825 950455377 /nfs/dbraw/zinc/45/53/77/950455377.db2.gz JLAGSCVJRUCIEN-ZDUSSCGKSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)CC1(C(=O)NC[C@@H](CO)Nc2ccc(-c3nn[n-]n3)nn2)CCCC1 ZINC001574165825 950455392 /nfs/dbraw/zinc/45/53/92/950455392.db2.gz JLAGSCVJRUCIEN-ZDUSSCGKSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)CC1(C(=O)NC[C@@H](O)CNc2cnc(-c3nnn[n-]3)cn2)CCCC1 ZINC001574165852 950456403 /nfs/dbraw/zinc/45/64/03/950456403.db2.gz KMHWMLVEYOVXQO-ZDUSSCGKSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)CC1(C(=O)NC[C@@H](O)CNc2cnc(-c3nn[n-]n3)cn2)CCCC1 ZINC001574165852 950456411 /nfs/dbraw/zinc/45/64/11/950456411.db2.gz KMHWMLVEYOVXQO-ZDUSSCGKSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)CC1(C(=O)NC[C@@H](CO)Nc2nccnc2-c2nnn[n-]2)CCCC1 ZINC001574166160 950462464 /nfs/dbraw/zinc/46/24/64/950462464.db2.gz OIROPULAPGGAHB-ZDUSSCGKSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)CC1(C(=O)NC[C@@H](CO)Nc2nccnc2-c2nn[n-]n2)CCCC1 ZINC001574166160 950462482 /nfs/dbraw/zinc/46/24/82/950462482.db2.gz OIROPULAPGGAHB-ZDUSSCGKSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNC(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001573862246 950462987 /nfs/dbraw/zinc/46/29/87/950462987.db2.gz QUOAKDIAZVHIHV-PHIMTYICSA-N -1 1 388.432 1.687 20 0 GDADMM CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNC(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001573862246 950463003 /nfs/dbraw/zinc/46/30/03/950463003.db2.gz QUOAKDIAZVHIHV-PHIMTYICSA-N -1 1 388.432 1.687 20 0 GDADMM CC(C)CC1(C(=O)N2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)CCCC1 ZINC001574166162 950463225 /nfs/dbraw/zinc/46/32/25/950463225.db2.gz OJZLKFOTZULKFG-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@H](CC(=O)NCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1)c1ccccc1 ZINC001574507754 950465260 /nfs/dbraw/zinc/46/52/60/950465260.db2.gz IFOWQQOLFQOKMX-CQSZACIVSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H](CC(=O)NCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1)c1ccccc1 ZINC001574507754 950465269 /nfs/dbraw/zinc/46/52/69/950465269.db2.gz IFOWQQOLFQOKMX-CQSZACIVSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@@H](CC(=O)NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1)n1cccc1 ZINC001574508174 950470815 /nfs/dbraw/zinc/47/08/15/950470815.db2.gz JZOVOHASYVIHCK-ZDUSSCGKSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc(C(F)F)o1)Nc1nccnc1-c1nnn[n-]1 ZINC001574752325 950477455 /nfs/dbraw/zinc/47/74/55/950477455.db2.gz ATSIQKHOBBMTDI-MRVPVSSYSA-N -1 1 378.343 1.760 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc(C(F)F)o1)Nc1nccnc1-c1nn[n-]n1 ZINC001574752325 950477474 /nfs/dbraw/zinc/47/74/74/950477474.db2.gz ATSIQKHOBBMTDI-MRVPVSSYSA-N -1 1 378.343 1.760 20 0 GDADMM CC(C)(C)OC(=O)[C@@]12COC[C@@H]1CN(C(=O)c1ccsc1-c1nnn[n-]1)C2 ZINC001573863697 950483440 /nfs/dbraw/zinc/48/34/40/950483440.db2.gz OMYPGHNNUBNFOD-BTDLBPIBSA-N -1 1 391.453 1.359 20 0 GDADMM CC(C)(C)OC(=O)[C@@]12COC[C@@H]1CN(C(=O)c1ccsc1-c1nn[n-]n1)C2 ZINC001573863697 950483458 /nfs/dbraw/zinc/48/34/58/950483458.db2.gz OMYPGHNNUBNFOD-BTDLBPIBSA-N -1 1 391.453 1.359 20 0 GDADMM C[C@H](CC(=O)NCCN(C)c1cncc(-c2nnn[n-]2)n1)c1ccc(F)cc1 ZINC001574509036 950497031 /nfs/dbraw/zinc/49/70/31/950497031.db2.gz OJNIYYLJWZWULT-GFCCVEGCSA-N -1 1 384.419 1.542 20 0 GDADMM C[C@H](CC(=O)NCCN(C)c1cncc(-c2nn[n-]n2)n1)c1ccc(F)cc1 ZINC001574509036 950497046 /nfs/dbraw/zinc/49/70/46/950497046.db2.gz OJNIYYLJWZWULT-GFCCVEGCSA-N -1 1 384.419 1.542 20 0 GDADMM CC(C)(C)OCC(=O)N1CCC[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573866728 950511807 /nfs/dbraw/zinc/51/18/07/950511807.db2.gz KIIUUDQKDIDBER-CYBMUJFWSA-N -1 1 388.476 1.512 20 0 GDADMM CC(C)(C)OCC(=O)N1CCC[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573866728 950511828 /nfs/dbraw/zinc/51/18/28/950511828.db2.gz KIIUUDQKDIDBER-CYBMUJFWSA-N -1 1 388.476 1.512 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc2c(c1)CCO2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574753291 950517806 /nfs/dbraw/zinc/51/78/06/950517806.db2.gz KQCZXSDHZGTIDR-LLVKDONJSA-N -1 1 380.412 1.164 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc2c(c1)CCO2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574753291 950517822 /nfs/dbraw/zinc/51/78/22/950517822.db2.gz KQCZXSDHZGTIDR-LLVKDONJSA-N -1 1 380.412 1.164 20 0 GDADMM CC(C)c1ccc(C(=O)N(C)C[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)cn1 ZINC001574753375 950524031 /nfs/dbraw/zinc/52/40/31/950524031.db2.gz LRFDBYTUUCMZPZ-LBPRGKRZSA-N -1 1 381.444 1.748 20 0 GDADMM CC(C)c1ccc(C(=O)N(C)C[C@H](C)Nc2cnc(-c3nn[n-]n3)cn2)cn1 ZINC001574753375 950524048 /nfs/dbraw/zinc/52/40/48/950524048.db2.gz LRFDBYTUUCMZPZ-LBPRGKRZSA-N -1 1 381.444 1.748 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc(F)c(Cl)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574753507 950528297 /nfs/dbraw/zinc/52/82/97/950528297.db2.gz ODUPLRHNOHNBAT-SECBINFHSA-N -1 1 390.810 1.444 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001574509856 950534975 /nfs/dbraw/zinc/53/49/75/950534975.db2.gz ZKZRDFLOMDIMNY-MGPQQGTHSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001574509856 950534985 /nfs/dbraw/zinc/53/49/85/950534985.db2.gz ZKZRDFLOMDIMNY-MGPQQGTHSA-N -1 1 381.444 1.416 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@]12CCC[C@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001573868507 950543136 /nfs/dbraw/zinc/54/31/36/950543136.db2.gz CWSOPIKDYSLLII-KZULUSFZSA-N -1 1 386.460 1.089 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc(C2CC2)cn1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574753858 950543378 /nfs/dbraw/zinc/54/33/78/950543378.db2.gz UJFWWUWIHVEAEI-LLVKDONJSA-N -1 1 379.428 1.502 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc(C2CC2)cn1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574753858 950543393 /nfs/dbraw/zinc/54/33/93/950543393.db2.gz UJFWWUWIHVEAEI-LLVKDONJSA-N -1 1 379.428 1.502 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc(Cl)s1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574753906 950550314 /nfs/dbraw/zinc/55/03/14/950550314.db2.gz VOFVBNFDVFFGTH-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc(Cl)s1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574753906 950550328 /nfs/dbraw/zinc/55/03/28/950550328.db2.gz VOFVBNFDVFFGTH-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575615802 950578224 /nfs/dbraw/zinc/57/82/24/950578224.db2.gz HYZBTUJDDBCNSJ-LBPRGKRZSA-N -1 1 384.488 1.989 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575615802 950578242 /nfs/dbraw/zinc/57/82/42/950578242.db2.gz HYZBTUJDDBCNSJ-LBPRGKRZSA-N -1 1 384.488 1.989 20 0 GDADMM CC1(C)C(C(=O)NC[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1(C)C ZINC001575617329 950601271 /nfs/dbraw/zinc/60/12/71/950601271.db2.gz ANZVTNZGBOTTEL-LBPRGKRZSA-N -1 1 384.488 1.672 20 0 GDADMM CC1(C)C(C(=O)NC[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1(C)C ZINC001575617329 950601286 /nfs/dbraw/zinc/60/12/86/950601286.db2.gz ANZVTNZGBOTTEL-LBPRGKRZSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)CCC(=O)N1CCC[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CC[C@H]21 ZINC001574173721 950602691 /nfs/dbraw/zinc/60/26/91/950602691.db2.gz MCYXKNPTRFPIME-HUUCEWRRSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1coc(C2CC2)n1 ZINC001575919134 950610077 /nfs/dbraw/zinc/61/00/77/950610077.db2.gz GLLGQOLQXKMMRR-MWLCHTKSSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1coc(C2CC2)n1 ZINC001575919134 950610081 /nfs/dbraw/zinc/61/00/81/950610081.db2.gz GLLGQOLQXKMMRR-MWLCHTKSSA-N -1 1 381.400 1.237 20 0 GDADMM CC1(C)C(C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1(C)C ZINC001575618557 950611905 /nfs/dbraw/zinc/61/19/05/950611905.db2.gz KBOUKDHGRVBVNL-LBPRGKRZSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C(C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1(C)C ZINC001575618557 950611917 /nfs/dbraw/zinc/61/19/17/950611917.db2.gz KBOUKDHGRVBVNL-LBPRGKRZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C[C@@H](C)c1ccccc1F ZINC001574513571 950616035 /nfs/dbraw/zinc/61/60/35/950616035.db2.gz UJVGBRFTISVQNB-VXGBXAGGSA-N -1 1 384.419 1.328 20 0 GDADMM C[C@H](CN(C)C(=O)c1cccnc1C1CC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574758760 950618496 /nfs/dbraw/zinc/61/84/96/950618496.db2.gz GKSHQRSUQQHYLO-LLVKDONJSA-N -1 1 379.428 1.502 20 0 GDADMM C[C@H](CN(C)C(=O)c1cccnc1C1CC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574758760 950618512 /nfs/dbraw/zinc/61/85/12/950618512.db2.gz GKSHQRSUQQHYLO-LLVKDONJSA-N -1 1 379.428 1.502 20 0 GDADMM C[C@@H](CNC(=O)c1cc2c(o1)CCCC2)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575001344 950631735 /nfs/dbraw/zinc/63/17/35/950631735.db2.gz KUAVKOQLGLUHQP-NSHDSACASA-N -1 1 382.428 1.383 20 0 GDADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)C1CCC2(CC2)CC1 ZINC001575920526 950632304 /nfs/dbraw/zinc/63/23/04/950632304.db2.gz MJMCEOOONWAROA-JSGCOSHPSA-N -1 1 382.472 1.450 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)cc(Cl)c1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575001466 950632512 /nfs/dbraw/zinc/63/25/12/950632512.db2.gz KZAYIRNVLDWGII-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)cc(Cl)c1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575001466 950632520 /nfs/dbraw/zinc/63/25/20/950632520.db2.gz KZAYIRNVLDWGII-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM CC(C)CCC(=O)N[C@@H]1CC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001574174531 950634119 /nfs/dbraw/zinc/63/41/19/950634119.db2.gz JIABLNQPDWJACJ-RBSFLKMASA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)CCC(=O)N[C@@H]1CC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001574174531 950634129 /nfs/dbraw/zinc/63/41/29/950634129.db2.gz JIABLNQPDWJACJ-RBSFLKMASA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001573872993 950634867 /nfs/dbraw/zinc/63/48/67/950634867.db2.gz BXFHUYWKQOXDEF-JOCQHMNTSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)OCC(=O)N[C@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001573872993 950634878 /nfs/dbraw/zinc/63/48/78/950634878.db2.gz BXFHUYWKQOXDEF-JOCQHMNTSA-N -1 1 388.476 1.559 20 0 GDADMM CC1(C)[C@H](NC(=O)C2CCC2)[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)[C@@H]21 ZINC001575622276 950635166 /nfs/dbraw/zinc/63/51/66/950635166.db2.gz BLEWUGOTLOTDSN-YUELXQCFSA-N -1 1 382.472 1.566 20 0 GDADMM CC1(C)[C@H](NC(=O)C2CCC2)[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)[C@@H]21 ZINC001575622276 950635175 /nfs/dbraw/zinc/63/51/75/950635175.db2.gz BLEWUGOTLOTDSN-YUELXQCFSA-N -1 1 382.472 1.566 20 0 GDADMM CC1(C)C2CCC1(C(=O)N1CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C1)CC2 ZINC001575622742 950642835 /nfs/dbraw/zinc/64/28/35/950642835.db2.gz GLPHWGMVQLOQMB-FWHMADFJSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(C)C2CCC1(C(=O)N1CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C1)CC2 ZINC001575622742 950642852 /nfs/dbraw/zinc/64/28/52/950642852.db2.gz GLPHWGMVQLOQMB-FWHMADFJSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1cccnc1 ZINC001575922839 950650623 /nfs/dbraw/zinc/65/06/23/950650623.db2.gz ASUXTCINLYSCKB-TZMCWYRMSA-N -1 1 379.428 1.086 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1cccnc1 ZINC001575922839 950650635 /nfs/dbraw/zinc/65/06/35/950650635.db2.gz ASUXTCINLYSCKB-TZMCWYRMSA-N -1 1 379.428 1.086 20 0 GDADMM CC(C)CCC(=O)N[C@@H]1CC[C@@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001574175514 950662241 /nfs/dbraw/zinc/66/22/41/950662241.db2.gz QHOLLZGYOITRQI-RBSFLKMASA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)CCC(=O)N[C@@H]1CC[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001574175514 950662252 /nfs/dbraw/zinc/66/22/52/950662252.db2.gz QHOLLZGYOITRQI-RBSFLKMASA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)cs1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575002474 950665353 /nfs/dbraw/zinc/66/53/53/950665353.db2.gz UJJDKXLBVGGCDL-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)cs1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575002474 950665360 /nfs/dbraw/zinc/66/53/60/950665360.db2.gz UJJDKXLBVGGCDL-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C)C(F)(F)F ZINC001574518926 950666005 /nfs/dbraw/zinc/66/60/05/950666005.db2.gz RXXPMBLZMSGAIR-AEJSXWLSSA-N -1 1 384.366 1.329 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C)C(F)(F)F ZINC001574518926 950666018 /nfs/dbraw/zinc/66/60/18/950666018.db2.gz RXXPMBLZMSGAIR-AEJSXWLSSA-N -1 1 384.366 1.329 20 0 GDADMM C[C@H](CNC(=O)c1cc2c(s1)CCC2)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575002787 950668236 /nfs/dbraw/zinc/66/82/36/950668236.db2.gz WXWXGBTVPJPTCZ-JTQLQIEISA-N -1 1 384.469 1.107 20 0 GDADMM C[C@H](CNC(=O)c1cc2c(s1)CCCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575005471 950685111 /nfs/dbraw/zinc/68/51/11/950685111.db2.gz FXEPTLDAZMBBLO-SNVBAGLBSA-N -1 1 384.469 1.249 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575625604 950692699 /nfs/dbraw/zinc/69/26/99/950692699.db2.gz SMBFNYNOMFTWIN-LBPRGKRZSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575625604 950692707 /nfs/dbraw/zinc/69/27/07/950692707.db2.gz SMBFNYNOMFTWIN-LBPRGKRZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C2CCC2)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576215356 950694426 /nfs/dbraw/zinc/69/44/26/950694426.db2.gz AQZWFGHNFGZWIJ-GXTWGEPZSA-N -1 1 384.488 1.554 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CC2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576215380 950696002 /nfs/dbraw/zinc/69/60/02/950696002.db2.gz AUGXISKJUCJBNY-ZJUUUORDSA-N -1 1 378.387 1.208 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CC2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576215380 950696011 /nfs/dbraw/zinc/69/60/11/950696011.db2.gz AUGXISKJUCJBNY-ZJUUUORDSA-N -1 1 378.387 1.208 20 0 GDADMM CC1(C)CC(C(=O)N2CCC[C@H]3[C@@H]2CCN3c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575625857 950698391 /nfs/dbraw/zinc/69/83/91/950698391.db2.gz YTUFWIWXFVPCFX-GJZGRUSLSA-N -1 1 382.472 1.663 20 0 GDADMM CC1(C)CC(C(=O)N2CCC[C@H]3[C@@H]2CCN3c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575625857 950698400 /nfs/dbraw/zinc/69/84/00/950698400.db2.gz YTUFWIWXFVPCFX-GJZGRUSLSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H](CNC(=O)c1cc2n(c1)CCCC2)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575005874 950706289 /nfs/dbraw/zinc/70/62/89/950706289.db2.gz PBQBUHXZZHZJIC-GFCCVEGCSA-N -1 1 381.444 1.273 20 0 GDADMM C[C@@H](CNC(=O)c1cc2n(c1)CCCC2)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575005874 950706299 /nfs/dbraw/zinc/70/62/99/950706299.db2.gz PBQBUHXZZHZJIC-GFCCVEGCSA-N -1 1 381.444 1.273 20 0 GDADMM CC(C)CCC(=O)NC[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1 ZINC001574180357 950726020 /nfs/dbraw/zinc/72/60/20/950726020.db2.gz SJLBHVZNKBIDQM-CYBMUJFWSA-N -1 1 378.502 1.681 20 0 GDADMM CC1(C)CC(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)CC2(C)C)C1 ZINC001575629385 950736628 /nfs/dbraw/zinc/73/66/28/950736628.db2.gz NXDFDPALSVAVJL-CQSZACIVSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)CC(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)CC2(C)C)C1 ZINC001575629385 950736642 /nfs/dbraw/zinc/73/66/42/950736642.db2.gz NXDFDPALSVAVJL-CQSZACIVSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)c1cc(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)nn3)CC2)no1 ZINC001573879933 950737168 /nfs/dbraw/zinc/73/71/68/950737168.db2.gz PBSOIRBJVOJLAL-UHFFFAOYSA-N -1 1 383.416 1.317 20 0 GDADMM CC(C)(C)c1cc(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)nn3)CC2)no1 ZINC001573879933 950737178 /nfs/dbraw/zinc/73/71/78/950737178.db2.gz PBSOIRBJVOJLAL-UHFFFAOYSA-N -1 1 383.416 1.317 20 0 GDADMM CC1(C)CC(C(=O)NCC2(C)CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001575629751 950749008 /nfs/dbraw/zinc/74/90/08/950749008.db2.gz RXCKHAWXINXDFX-UHFFFAOYSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C)CC(C(=O)NC[C@]2(C)CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001575629924 950749811 /nfs/dbraw/zinc/74/98/11/950749811.db2.gz USHRIDSJCYAPOM-IBGZPJMESA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C)CC(C(=O)NC[C@]2(C)CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001575629924 950749826 /nfs/dbraw/zinc/74/98/26/950749826.db2.gz USHRIDSJCYAPOM-IBGZPJMESA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C(C)(F)F)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576217386 950759122 /nfs/dbraw/zinc/75/91/22/950759122.db2.gz NIVBONPYMGPUGI-GXSJLCMTSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C(C)(F)F)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576217386 950759138 /nfs/dbraw/zinc/75/91/38/950759138.db2.gz NIVBONPYMGPUGI-GXSJLCMTSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@H]1[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)CCN1C(=O)c1ccon1 ZINC001575929549 950786070 /nfs/dbraw/zinc/78/60/70/950786070.db2.gz CPDRBKONSJQAEB-BQBZGAKWSA-N -1 1 380.821 1.680 20 0 GDADMM C[C@H]1[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCN1C(=O)c1ccon1 ZINC001575929549 950786083 /nfs/dbraw/zinc/78/60/83/950786083.db2.gz CPDRBKONSJQAEB-BQBZGAKWSA-N -1 1 380.821 1.680 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cnc(C2CC2)nc1 ZINC001575929863 950786252 /nfs/dbraw/zinc/78/62/52/950786252.db2.gz CUPRYKSTKDSNNT-MFKMUULPSA-N -1 1 392.427 1.039 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cnc(C2CC2)nc1 ZINC001575929863 950786263 /nfs/dbraw/zinc/78/62/63/950786263.db2.gz CUPRYKSTKDSNNT-MFKMUULPSA-N -1 1 392.427 1.039 20 0 GDADMM C[C@@H]1[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)CCN1C(=O)CC(C)(C)O ZINC001575930023 950791755 /nfs/dbraw/zinc/79/17/55/950791755.db2.gz DFAHTZUYWAHJSX-HTQZYQBOSA-N -1 1 385.881 1.539 20 0 GDADMM C[C@@H]1[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCN1C(=O)CC(C)(C)O ZINC001575930023 950791770 /nfs/dbraw/zinc/79/17/70/950791770.db2.gz DFAHTZUYWAHJSX-HTQZYQBOSA-N -1 1 385.881 1.539 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576218558 950794487 /nfs/dbraw/zinc/79/44/87/950794487.db2.gz MMJATDVDYPJCQN-QWRGUYRKSA-N -1 1 392.414 1.020 20 0 GDADMM CC(C)(C)c1cccc(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)c1 ZINC001573884767 950806977 /nfs/dbraw/zinc/80/69/77/950806977.db2.gz PGSQQIQQQVJSEQ-HNNXBMFYSA-N -1 1 392.467 1.963 20 0 GDADMM CC(C)(C)c1cccc(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)c1 ZINC001573884767 950807002 /nfs/dbraw/zinc/80/70/02/950807002.db2.gz PGSQQIQQQVJSEQ-HNNXBMFYSA-N -1 1 392.467 1.963 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ccc(F)cc1F ZINC001575931515 950810660 /nfs/dbraw/zinc/81/06/60/950810660.db2.gz IKCHUYRZGVAOBW-TVQRCGJNSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(F)cc1F ZINC001575931515 950810682 /nfs/dbraw/zinc/81/06/82/950810682.db2.gz IKCHUYRZGVAOBW-TVQRCGJNSA-N -1 1 386.366 1.650 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCc1nccs1 ZINC001575932294 950830037 /nfs/dbraw/zinc/83/00/37/950830037.db2.gz LQJXKXANMIEISH-QWRGUYRKSA-N -1 1 385.457 1.147 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1nccs1 ZINC001575932294 950830063 /nfs/dbraw/zinc/83/00/63/950830063.db2.gz LQJXKXANMIEISH-QWRGUYRKSA-N -1 1 385.457 1.147 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)c2ccccc2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576221196 950849376 /nfs/dbraw/zinc/84/93/76/950849376.db2.gz USGRMTLYBOAPTE-XJKSGUPXSA-N -1 1 392.467 1.893 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)c2ccccc2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576221196 950849397 /nfs/dbraw/zinc/84/93/97/950849397.db2.gz USGRMTLYBOAPTE-XJKSGUPXSA-N -1 1 392.467 1.893 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)CCNC(=O)c2ccsc2)n1 ZINC001573887518 950852070 /nfs/dbraw/zinc/85/20/70/950852070.db2.gz GCYUPSNIWDQQTR-UHFFFAOYSA-N -1 1 388.457 1.638 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)CCNC(=O)c2ccsc2)n1 ZINC001573887518 950852086 /nfs/dbraw/zinc/85/20/86/950852086.db2.gz GCYUPSNIWDQQTR-UHFFFAOYSA-N -1 1 388.457 1.638 20 0 GDADMM CC1(C)C[C@H](NC(=O)[C@H]2CC2(F)F)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575639062 950857744 /nfs/dbraw/zinc/85/77/44/950857744.db2.gz OIXRNEZVJCMAKJ-GHMZBOCLSA-N -1 1 392.414 1.423 20 0 GDADMM CC1(C)C[C@H](NC(=O)[C@H]2CC2(F)F)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575639062 950857771 /nfs/dbraw/zinc/85/77/71/950857771.db2.gz OIXRNEZVJCMAKJ-GHMZBOCLSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C2CC2)CC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576222402 950872309 /nfs/dbraw/zinc/87/23/09/950872309.db2.gz YTMFOCJBQAVKPS-OLZOCXBDSA-N -1 1 384.488 1.411 20 0 GDADMM CC1(C)C[C@H]1C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)CC(C)(C)C1 ZINC001575640011 950883358 /nfs/dbraw/zinc/88/33/58/950883358.db2.gz WDZKCXSGEYLYJF-STQMWFEESA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C[C@H]1C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)CC(C)(C)C1 ZINC001575640011 950883390 /nfs/dbraw/zinc/88/33/90/950883390.db2.gz WDZKCXSGEYLYJF-STQMWFEESA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)c1scnc1C(=O)N(C)C[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574768294 950885274 /nfs/dbraw/zinc/88/52/74/950885274.db2.gz TVUUMJMGTJCVAE-SNVBAGLBSA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)c1scnc1C(=O)N(C)C[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574768294 950885296 /nfs/dbraw/zinc/88/52/96/950885296.db2.gz TVUUMJMGTJCVAE-SNVBAGLBSA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)(CC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001573893646 950892329 /nfs/dbraw/zinc/89/23/29/950892329.db2.gz PIISYYNHAGHWSA-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)(CC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001573893646 950892344 /nfs/dbraw/zinc/89/23/44/950892344.db2.gz PIISYYNHAGHWSA-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H]1[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCN1C(=O)c1ccncn1 ZINC001575935758 950894736 /nfs/dbraw/zinc/89/47/36/950894736.db2.gz BEFLJJTZWATARE-JGVFFNPUSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)CCN1C(=O)c1ccncn1 ZINC001575935758 950894752 /nfs/dbraw/zinc/89/47/52/950894752.db2.gz BEFLJJTZWATARE-JGVFFNPUSA-N -1 1 391.848 1.482 20 0 GDADMM CC1(C)C[C@@H](NC(=O)c2ccon2)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575640424 950895304 /nfs/dbraw/zinc/89/53/04/950895304.db2.gz HDTNOUMULYKKGO-NSHDSACASA-N -1 1 383.416 1.070 20 0 GDADMM CC1(C)C[C@@H](NC(=O)c2ccon2)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575640424 950895319 /nfs/dbraw/zinc/89/53/19/950895319.db2.gz HDTNOUMULYKKGO-NSHDSACASA-N -1 1 383.416 1.070 20 0 GDADMM CC(C)CCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001574189840 950898844 /nfs/dbraw/zinc/89/88/44/950898844.db2.gz RZJFLWOKFFHEIU-ZNMIVQPWSA-N -1 1 384.488 1.957 20 0 GDADMM CC(C)CCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001574189840 950898854 /nfs/dbraw/zinc/89/88/54/950898854.db2.gz RZJFLWOKFFHEIU-ZNMIVQPWSA-N -1 1 384.488 1.957 20 0 GDADMM CC1(C)C[C@]1(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC001575641395 950920268 /nfs/dbraw/zinc/92/02/68/950920268.db2.gz PESDWGSCVZGNTO-SFHVURJKSA-N -1 1 384.465 1.908 20 0 GDADMM CC1(C)C[C@]1(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC001575641395 950920281 /nfs/dbraw/zinc/92/02/81/950920281.db2.gz PESDWGSCVZGNTO-SFHVURJKSA-N -1 1 384.465 1.908 20 0 GDADMM CC(C)(C)n1cc(CNc2snc(Cl)c2-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001573894664 950933311 /nfs/dbraw/zinc/93/33/11/950933311.db2.gz WVMWCAOAAASYMJ-UHFFFAOYSA-N -1 1 382.837 1.606 20 0 GDADMM CC(C)(C)n1cc(CNc2snc(Cl)c2-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001573894664 950933326 /nfs/dbraw/zinc/93/33/26/950933326.db2.gz WVMWCAOAAASYMJ-UHFFFAOYSA-N -1 1 382.837 1.606 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C3CCC3)CCC2)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576228613 950949541 /nfs/dbraw/zinc/94/95/41/950949541.db2.gz HWUXVZTZCQDJDC-DOMZBBRYSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C3CCC3)CCC2)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576228613 950949559 /nfs/dbraw/zinc/94/95/59/950949559.db2.gz HWUXVZTZCQDJDC-DOMZBBRYSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@H]1C[C@@H](C(=O)N(C)CC(C)(C)CNc2nccnc2-c2nnn[n-]2)CCO1 ZINC001575937531 950950243 /nfs/dbraw/zinc/95/02/43/950950243.db2.gz FPCQNLXNFKGUCP-STQMWFEESA-N -1 1 388.476 1.368 20 0 GDADMM C[C@H]1C[C@@H](C(=O)N(C)CC(C)(C)CNc2nccnc2-c2nn[n-]n2)CCO1 ZINC001575937531 950950262 /nfs/dbraw/zinc/95/02/62/950950262.db2.gz FPCQNLXNFKGUCP-STQMWFEESA-N -1 1 388.476 1.368 20 0 GDADMM CCOC(=O)CCCCC[N@H+]1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001590414073 950951267 /nfs/dbraw/zinc/95/12/67/950951267.db2.gz PSLAXWUVICQVLL-WCQYABFASA-N -1 1 382.379 1.706 20 0 GDADMM C[C@H]1CN(C(=O)C2CC3(CCC3)C2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576229834 950979738 /nfs/dbraw/zinc/97/97/38/950979738.db2.gz OIPIWGQKOPQFLK-GXTWGEPZSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@H]1CN(C(=O)C2CC3(CCC3)C2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576229834 950979751 /nfs/dbraw/zinc/97/97/51/950979751.db2.gz OIPIWGQKOPQFLK-GXTWGEPZSA-N -1 1 382.472 1.743 20 0 GDADMM CC(C)(CC(=O)NCC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1CC1 ZINC001573900173 950998557 /nfs/dbraw/zinc/99/85/57/950998557.db2.gz SSWYELUTZMCLFW-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(CC(=O)NCC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1CC1 ZINC001573900173 950998572 /nfs/dbraw/zinc/99/85/72/950998572.db2.gz SSWYELUTZMCLFW-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H]1CN(C(=O)C2(F)CCCCC2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576230469 951006806 /nfs/dbraw/zinc/00/68/06/951006806.db2.gz MILWPGLBLSOVTB-STQMWFEESA-N -1 1 388.451 1.836 20 0 GDADMM C[C@H]1CN(C(=O)C2(F)CCCCC2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576230469 951006825 /nfs/dbraw/zinc/00/68/25/951006825.db2.gz MILWPGLBLSOVTB-STQMWFEESA-N -1 1 388.451 1.836 20 0 GDADMM CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)N1CC[C@](COC)(C(=O)[O-])C1 ZINC001591092156 951064791 /nfs/dbraw/zinc/06/47/91/951064791.db2.gz RGAFWCDIXOXBGP-SGTLLEGYSA-N -1 1 398.481 1.983 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)c(Cl)c1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575022026 951066138 /nfs/dbraw/zinc/06/61/38/951066138.db2.gz GEJBCXBHEKTVIW-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)c(Cl)c1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575022026 951066148 /nfs/dbraw/zinc/06/61/48/951066148.db2.gz GEJBCXBHEKTVIW-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)s1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575023539 951079691 /nfs/dbraw/zinc/07/96/91/951079691.db2.gz NGYQOZZJCBMKBH-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)s1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575023539 951079704 /nfs/dbraw/zinc/07/97/04/951079704.db2.gz NGYQOZZJCBMKBH-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)c(F)c1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575024141 951093705 /nfs/dbraw/zinc/09/37/05/951093705.db2.gz WDLBSPVHRIQJIW-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(Cl)c(F)c1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575024141 951093720 /nfs/dbraw/zinc/09/37/20/951093720.db2.gz WDLBSPVHRIQJIW-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)cc1Cl)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575024462 951105039 /nfs/dbraw/zinc/10/50/39/951105039.db2.gz FCKKNVLBTSOELP-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)cc1Cl)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575024462 951105051 /nfs/dbraw/zinc/10/50/51/951105051.db2.gz FCKKNVLBTSOELP-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM CC(C)Oc1ccc(C(=O)NC[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)cn1 ZINC001575025097 951125504 /nfs/dbraw/zinc/12/55/04/951125504.db2.gz UZCXZIIQIJHUCR-LLVKDONJSA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1ccc(C(=O)NC[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)cn1 ZINC001575025097 951125510 /nfs/dbraw/zinc/12/55/10/951125510.db2.gz UZCXZIIQIJHUCR-LLVKDONJSA-N -1 1 383.416 1.069 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2ccncc2c1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575025815 951133470 /nfs/dbraw/zinc/13/34/70/951133470.db2.gz BEUKOGHPSQNMCP-NSHDSACASA-N -1 1 375.396 1.435 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2ccncc2c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575025815 951133479 /nfs/dbraw/zinc/13/34/79/951133479.db2.gz BEUKOGHPSQNMCP-NSHDSACASA-N -1 1 375.396 1.435 20 0 GDADMM C[C@H](CNC(=O)c1cccc(C(F)(F)F)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575025848 951135164 /nfs/dbraw/zinc/13/51/64/951135164.db2.gz CDCWVHNDZZWRKS-SECBINFHSA-N -1 1 392.345 1.906 20 0 GDADMM C[C@H](CNC(=O)c1cccc(C(F)(F)F)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575025848 951135176 /nfs/dbraw/zinc/13/51/76/951135176.db2.gz CDCWVHNDZZWRKS-SECBINFHSA-N -1 1 392.345 1.906 20 0 GDADMM C[C@H](CNC(=O)c1cccc2c1CCCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575026956 951149974 /nfs/dbraw/zinc/14/99/74/951149974.db2.gz BKGNJFJHVZVVFP-GFCCVEGCSA-N -1 1 378.440 1.188 20 0 GDADMM C[C@@H](CNC(=O)c1ccccc1C1(C)CC1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575027039 951153360 /nfs/dbraw/zinc/15/33/60/951153360.db2.gz COAZRPYDTJNKHC-ZDUSSCGKSA-N -1 1 392.467 1.963 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2c1CCC2)CNc1nccnc1-c1nnn[n-]1 ZINC001575028999 951179576 /nfs/dbraw/zinc/17/95/76/951179576.db2.gz QXWFPQSTMQDERZ-GFCCVEGCSA-N -1 1 378.440 1.623 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2c1CCC2)CNc1nccnc1-c1nn[n-]n1 ZINC001575028999 951179588 /nfs/dbraw/zinc/17/95/88/951179588.db2.gz QXWFPQSTMQDERZ-GFCCVEGCSA-N -1 1 378.440 1.623 20 0 GDADMM C[C@@H](CNC(=O)c1ccccc1O)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001575029327 951185075 /nfs/dbraw/zinc/18/50/75/951185075.db2.gz SQZXCQSKJFXKEN-ZETCQYMHSA-N -1 1 379.833 1.913 20 0 GDADMM C[C@@H](CNC(=O)c1ccccc1O)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575029327 951185089 /nfs/dbraw/zinc/18/50/89/951185089.db2.gz SQZXCQSKJFXKEN-ZETCQYMHSA-N -1 1 379.833 1.913 20 0 GDADMM C[C@@H](CNC(=O)c1cccnc1C(F)F)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575031642 951199207 /nfs/dbraw/zinc/19/92/07/951199207.db2.gz FWOYIQYYORHLAR-SECBINFHSA-N -1 1 389.370 1.467 20 0 GDADMM C[C@@H](CNC(=O)c1cccnc1C(F)F)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575031642 951199216 /nfs/dbraw/zinc/19/92/16/951199216.db2.gz FWOYIQYYORHLAR-SECBINFHSA-N -1 1 389.370 1.467 20 0 GDADMM C[C@H](CNC(=O)c1cccnc1C(F)F)CNc1nccnc1-c1nnn[n-]1 ZINC001575031848 951207620 /nfs/dbraw/zinc/20/76/20/951207620.db2.gz KIOPKLFSRXAUKK-VIFPVBQESA-N -1 1 389.370 1.467 20 0 GDADMM C[C@H](CNC(=O)c1cccnc1C(F)F)CNc1nccnc1-c1nn[n-]n1 ZINC001575031848 951207630 /nfs/dbraw/zinc/20/76/30/951207630.db2.gz KIOPKLFSRXAUKK-VIFPVBQESA-N -1 1 389.370 1.467 20 0 GDADMM C[C@H](CNC(=O)c1cccnc1C1CC1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575031834 951208397 /nfs/dbraw/zinc/20/83/97/951208397.db2.gz JZHGLTSYDWCUAC-NSHDSACASA-N -1 1 379.428 1.407 20 0 GDADMM C[C@H](CNC(=O)c1cccnc1C1CC1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575031834 951208409 /nfs/dbraw/zinc/20/84/09/951208409.db2.gz JZHGLTSYDWCUAC-NSHDSACASA-N -1 1 379.428 1.407 20 0 GDADMM C[C@H](CNC(=O)c1ccccn1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575032099 951214479 /nfs/dbraw/zinc/21/44/79/951214479.db2.gz QMFCMLBDFLZSAV-MRVPVSSYSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@H](CNC(=O)c1ccccn1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575032099 951214484 /nfs/dbraw/zinc/21/44/84/951214484.db2.gz QMFCMLBDFLZSAV-MRVPVSSYSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@H](CNC(=O)c1cccnc1C(F)F)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575032115 951215625 /nfs/dbraw/zinc/21/56/25/951215625.db2.gz QZBMSEIYVNQCHM-SECBINFHSA-N -1 1 389.370 1.244 20 0 GDADMM C[C@H](CNC(=O)c1cccnc1C(F)F)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575032115 951215633 /nfs/dbraw/zinc/21/56/33/951215633.db2.gz QZBMSEIYVNQCHM-SECBINFHSA-N -1 1 389.370 1.244 20 0 GDADMM C[C@@H](CNC(=O)c1ccnn1C1CCC1)CNc1nccnc1-c1nnn[n-]1 ZINC001575033828 951228410 /nfs/dbraw/zinc/22/84/10/951228410.db2.gz CCNBENMOUBVEJM-LLVKDONJSA-N -1 1 382.432 1.056 20 0 GDADMM C[C@@H](CNC(=O)c1ccnn1C1CCC1)CNc1nccnc1-c1nn[n-]n1 ZINC001575033828 951228419 /nfs/dbraw/zinc/22/84/19/951228419.db2.gz CCNBENMOUBVEJM-LLVKDONJSA-N -1 1 382.432 1.056 20 0 GDADMM C[C@@H](CNC(=O)c1ccncn1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001575033907 951231289 /nfs/dbraw/zinc/23/12/89/951231289.db2.gz DSYORNARIUBASU-ZETCQYMHSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@@H](CNC(=O)c1ccncn1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001575033907 951231297 /nfs/dbraw/zinc/23/12/97/951231297.db2.gz DSYORNARIUBASU-ZETCQYMHSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@@H](CNC(=O)c1ccns1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575034856 951258558 /nfs/dbraw/zinc/25/85/58/951258558.db2.gz PKWPADNGMNYOSM-LURJTMIESA-N -1 1 384.878 1.911 20 0 GDADMM C[C@@H](CNC(=O)c1ccns1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575034856 951258563 /nfs/dbraw/zinc/25/85/63/951258563.db2.gz PKWPADNGMNYOSM-LURJTMIESA-N -1 1 384.878 1.911 20 0 GDADMM C[C@@H](CNC(=O)c1ccnc(C2CC2)c1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575036986 951304862 /nfs/dbraw/zinc/30/48/62/951304862.db2.gz ZJEPNCSZVNUFJV-LLVKDONJSA-N -1 1 379.428 1.407 20 0 GDADMM C[C@@H](CNC(=O)c1ccnc(C2CC2)c1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575036986 951304875 /nfs/dbraw/zinc/30/48/75/951304875.db2.gz ZJEPNCSZVNUFJV-LLVKDONJSA-N -1 1 379.428 1.407 20 0 GDADMM C[C@@H](CNC(=O)c1ccsn1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575038250 951319709 /nfs/dbraw/zinc/31/97/09/951319709.db2.gz IHFWMKFFTRLZRF-LURJTMIESA-N -1 1 384.878 1.911 20 0 GDADMM C[C@@H](CNC(=O)c1ccsn1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575038250 951319722 /nfs/dbraw/zinc/31/97/22/951319722.db2.gz IHFWMKFFTRLZRF-LURJTMIESA-N -1 1 384.878 1.911 20 0 GDADMM C[C@@H](CNC(=O)c1ccsn1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575039663 951332056 /nfs/dbraw/zinc/33/20/56/951332056.db2.gz RJJJRUKFTRDAKV-LURJTMIESA-N -1 1 384.878 1.688 20 0 GDADMM C[C@H](CNC(=O)c1ccsc1Cl)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575039658 951332909 /nfs/dbraw/zinc/33/29/09/951332909.db2.gz RHNWFYJQHDAHOQ-QMMMGPOBSA-N -1 1 378.849 1.272 20 0 GDADMM CCOc1ccccc1-c1cc(C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])n[nH]1 ZINC001592993037 951378132 /nfs/dbraw/zinc/37/81/32/951378132.db2.gz BPRZVRYAKQEOAI-LBPRGKRZSA-N -1 1 388.424 1.527 20 0 GDADMM C[C@@H](CNC(=O)c1cnn(C2CCC2)c1)CNc1nccnc1-c1nnn[n-]1 ZINC001575051890 951454001 /nfs/dbraw/zinc/45/40/01/951454001.db2.gz AIJRABQHKWFOFE-LLVKDONJSA-N -1 1 382.432 1.056 20 0 GDADMM C[C@@H](CNC(=O)c1cnn(C2CCC2)c1)CNc1nccnc1-c1nn[n-]n1 ZINC001575051890 951454008 /nfs/dbraw/zinc/45/40/08/951454008.db2.gz AIJRABQHKWFOFE-LLVKDONJSA-N -1 1 382.432 1.056 20 0 GDADMM C[C@H](CNC(=O)c1cnn(C2CCC2)c1)CNc1nccnc1-c1nnn[n-]1 ZINC001575051892 951455262 /nfs/dbraw/zinc/45/52/62/951455262.db2.gz AIJRABQHKWFOFE-NSHDSACASA-N -1 1 382.432 1.056 20 0 GDADMM C[C@H](CNC(=O)c1cnn(C2CCC2)c1)CNc1nccnc1-c1nn[n-]n1 ZINC001575051892 951455265 /nfs/dbraw/zinc/45/52/65/951455265.db2.gz AIJRABQHKWFOFE-NSHDSACASA-N -1 1 382.432 1.056 20 0 GDADMM C[C@H](CNC(=O)c1cnns1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575054685 951495705 /nfs/dbraw/zinc/49/57/05/951495705.db2.gz JXPIGFSCQGJOGR-RXMQYKEDSA-N -1 1 385.866 1.083 20 0 GDADMM C[C@H](CNC(=O)c1cnns1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575054685 951495710 /nfs/dbraw/zinc/49/57/10/951495710.db2.gz JXPIGFSCQGJOGR-RXMQYKEDSA-N -1 1 385.866 1.083 20 0 GDADMM C[C@@H](CNC(=O)c1cnsn1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001575055366 951503037 /nfs/dbraw/zinc/50/30/37/951503037.db2.gz RSDYAPUQFYWZLE-YFKPBYRVSA-N -1 1 385.866 1.083 20 0 GDADMM C[C@@H](CNC(=O)c1cnsn1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001575055366 951503044 /nfs/dbraw/zinc/50/30/44/951503044.db2.gz RSDYAPUQFYWZLE-YFKPBYRVSA-N -1 1 385.866 1.083 20 0 GDADMM C[C@@H](CNC(=O)c1csc(=O)[nH]1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001575056360 951518178 /nfs/dbraw/zinc/51/81/78/951518178.db2.gz ICOYPLNIGLSTPK-BYPYZUCNSA-N -1 1 386.850 1.369 20 0 GDADMM C[C@H](CNC(=O)c1coc(CC2CC2)n1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575056679 951523064 /nfs/dbraw/zinc/52/30/64/951523064.db2.gz LHBVLOOPUVCWSS-JTQLQIEISA-N -1 1 383.416 1.075 20 0 GDADMM C[C@H](CNC(=O)c1coc(CC2CC2)n1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575056679 951523072 /nfs/dbraw/zinc/52/30/72/951523072.db2.gz LHBVLOOPUVCWSS-JTQLQIEISA-N -1 1 383.416 1.075 20 0 GDADMM C[C@@H](CNC(=O)c1coc(C(F)F)c1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575057380 951527607 /nfs/dbraw/zinc/52/76/07/951527607.db2.gz OVJPEAYAZKPDQY-MRVPVSSYSA-N -1 1 378.343 1.665 20 0 GDADMM C[C@@H](CNC(=O)c1coc(C(F)F)c1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575057380 951527616 /nfs/dbraw/zinc/52/76/16/951527616.db2.gz OVJPEAYAZKPDQY-MRVPVSSYSA-N -1 1 378.343 1.665 20 0 GDADMM C[C@H](CNC(=O)c1csnn1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001575061548 951559224 /nfs/dbraw/zinc/55/92/24/951559224.db2.gz NHLIASNJQSQSCT-RXMQYKEDSA-N -1 1 385.866 1.083 20 0 GDADMM C[C@H](CNC(=O)c1csnn1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001575061548 951559236 /nfs/dbraw/zinc/55/92/36/951559236.db2.gz NHLIASNJQSQSCT-RXMQYKEDSA-N -1 1 385.866 1.083 20 0 GDADMM C[C@@H](CNC(=O)c1sccc1Cl)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575069856 951647452 /nfs/dbraw/zinc/64/74/52/951647452.db2.gz MEKQSAUXUCVAQU-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@@H](CNC(=O)c1sccc1Cl)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575069856 951647461 /nfs/dbraw/zinc/64/74/61/951647461.db2.gz MEKQSAUXUCVAQU-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@H](CNC(=O)c1sccc1Cl)CNc1nccnc1-c1nnn[n-]1 ZINC001575070206 951650934 /nfs/dbraw/zinc/65/09/34/951650934.db2.gz PFFBCNDTSBUGHH-QMMMGPOBSA-N -1 1 378.849 1.850 20 0 GDADMM C[C@H](CNC(=O)c1sccc1Cl)CNc1nccnc1-c1nn[n-]n1 ZINC001575070206 951650938 /nfs/dbraw/zinc/65/09/38/951650938.db2.gz PFFBCNDTSBUGHH-QMMMGPOBSA-N -1 1 378.849 1.850 20 0 GDADMM O=C([O-])CN1CCCC[C@H](NCc2cc3c(c(Br)c2)OCO3)C1=O ZINC001595095664 951810970 /nfs/dbraw/zinc/81/09/70/951810970.db2.gz HOGCSVRWYNCPQO-LBPRGKRZSA-N -1 1 399.241 1.733 20 0 GDADMM C[C@@H](CNS(=O)(=O)c1ccsc1-c1nn[n-]n1)Oc1ccc(F)cc1 ZINC001575116762 951973380 /nfs/dbraw/zinc/97/33/80/951973380.db2.gz HXELORVHQGNRGI-VIFPVBQESA-N -1 1 383.430 1.813 20 0 GDADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)C1CC1 ZINC001575128412 952066385 /nfs/dbraw/zinc/06/63/85/952066385.db2.gz IALMGIYCBVZRIF-CFNLKKDLSA-N -1 1 382.472 1.790 20 0 GDADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)C1CC1 ZINC001575128412 952066389 /nfs/dbraw/zinc/06/63/89/952066389.db2.gz IALMGIYCBVZRIF-CFNLKKDLSA-N -1 1 382.472 1.790 20 0 GDADMM O=C([O-])Cn1cc(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)nn1 ZINC001595141873 952084900 /nfs/dbraw/zinc/08/49/00/952084900.db2.gz IKEPXLMSHVSKFC-UHFFFAOYSA-N -1 1 391.859 1.658 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)C1CC2(C1)CCOCC2 ZINC001575135288 952117435 /nfs/dbraw/zinc/11/74/35/952117435.db2.gz QEFUUIZRUVCGAJ-GFCCVEGCSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)C1CC2(C1)CCOCC2 ZINC001575135288 952117440 /nfs/dbraw/zinc/11/74/40/952117440.db2.gz QEFUUIZRUVCGAJ-GFCCVEGCSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)CCCc1cccnc1 ZINC001575136346 952124711 /nfs/dbraw/zinc/12/47/11/952124711.db2.gz UYILSWMKVPFZSS-CYBMUJFWSA-N -1 1 381.444 1.333 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)CCCc1cccnc1 ZINC001575136346 952124713 /nfs/dbraw/zinc/12/47/13/952124713.db2.gz UYILSWMKVPFZSS-CYBMUJFWSA-N -1 1 381.444 1.333 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)C1(c2cccnc2)CC1 ZINC001575136795 952127144 /nfs/dbraw/zinc/12/71/44/952127144.db2.gz WXUKBTUOJVTOSB-GFCCVEGCSA-N -1 1 379.428 1.042 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)C1(c2cccnc2)CC1 ZINC001575136795 952127151 /nfs/dbraw/zinc/12/71/51/952127151.db2.gz WXUKBTUOJVTOSB-GFCCVEGCSA-N -1 1 379.428 1.042 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cc2c(s1)CCC2 ZINC001575136833 952129164 /nfs/dbraw/zinc/12/91/64/952129164.db2.gz XOIZFAZRGSMDRU-SNVBAGLBSA-N -1 1 384.469 1.780 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cc2c(s1)CCC2 ZINC001575136833 952129170 /nfs/dbraw/zinc/12/91/70/952129170.db2.gz XOIZFAZRGSMDRU-SNVBAGLBSA-N -1 1 384.469 1.780 20 0 GDADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)CCC(F)(F)F)C1CC1 ZINC001575141529 952144923 /nfs/dbraw/zinc/14/49/23/952144923.db2.gz HZNYPUSQXORBKZ-AWEZNQCLSA-N -1 1 384.366 1.118 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCc2ccccc2C1 ZINC001575142229 952145970 /nfs/dbraw/zinc/14/59/70/952145970.db2.gz KMBAYNORZBQIDG-CJNGLKHVSA-N -1 1 392.467 1.143 20 0 GDADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)c1cc(Cl)c[nH]1)C1CC1 ZINC001575143121 952149560 /nfs/dbraw/zinc/14/95/60/952149560.db2.gz NLFDFWMTUFXSEJ-MRXNPFEDSA-N -1 1 387.835 1.071 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C(C)(C)CC(F)(F)F ZINC001575143100 952150204 /nfs/dbraw/zinc/15/02/04/952150204.db2.gz MZGRGYBKKOAFCN-VIFPVBQESA-N -1 1 386.382 1.316 20 0 GDADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)c1cccc(F)c1)C1CC1 ZINC001575143939 952159504 /nfs/dbraw/zinc/15/95/04/952159504.db2.gz SMRYLFPTUVXQEO-GOSISDBHSA-N -1 1 382.403 1.228 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)Cc1ccc2c[nH]nc2c1 ZINC001575153306 952208107 /nfs/dbraw/zinc/20/81/07/952208107.db2.gz GDOGDRQAHRCODD-NSHDSACASA-N -1 1 392.427 1.035 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)Cc1ccc2c[nH]nc2c1 ZINC001575153306 952208114 /nfs/dbraw/zinc/20/81/14/952208114.db2.gz GDOGDRQAHRCODD-NSHDSACASA-N -1 1 392.427 1.035 20 0 GDADMM O=C([O-])[C@@H]1CCCN(C(=O)c2cccc(I)c2O)C1 ZINC001595165032 952208200 /nfs/dbraw/zinc/20/82/00/952208200.db2.gz LAKIGYMSTBCXAJ-MRVPVSSYSA-N -1 1 375.162 1.934 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H]1COc2ccccc21 ZINC001575153815 952213783 /nfs/dbraw/zinc/21/37/83/952213783.db2.gz LGHWZOTUMYNAPM-YPMHNXCESA-N -1 1 380.412 1.092 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H]1COc2ccccc21 ZINC001575153815 952213789 /nfs/dbraw/zinc/21/37/89/952213789.db2.gz LGHWZOTUMYNAPM-YPMHNXCESA-N -1 1 380.412 1.092 20 0 GDADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)c1ccc(Cl)o1)C1CC1 ZINC001575154309 952219149 /nfs/dbraw/zinc/21/91/49/952219149.db2.gz AVBQCSLPBHFRQY-MRXNPFEDSA-N -1 1 388.819 1.914 20 0 GDADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)c1ccc(Cl)o1)C1CC1 ZINC001575154309 952219152 /nfs/dbraw/zinc/21/91/52/952219152.db2.gz AVBQCSLPBHFRQY-MRXNPFEDSA-N -1 1 388.819 1.914 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cc2ccccc2n1C ZINC001575154425 952224431 /nfs/dbraw/zinc/22/44/31/952224431.db2.gz COWSKOPQEIZDTH-GFCCVEGCSA-N -1 1 391.439 1.721 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cc2ccccc2n1C ZINC001575154425 952224438 /nfs/dbraw/zinc/22/44/38/952224438.db2.gz COWSKOPQEIZDTH-GFCCVEGCSA-N -1 1 391.439 1.721 20 0 GDADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)Cc1cccs1)C1CC1 ZINC001575154648 952227439 /nfs/dbraw/zinc/22/74/39/952227439.db2.gz GVJDKBTYUHNJGK-QGZVFWFLSA-N -1 1 384.469 1.658 20 0 GDADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)Cc1cccs1)C1CC1 ZINC001575154648 952227447 /nfs/dbraw/zinc/22/74/47/952227447.db2.gz GVJDKBTYUHNJGK-QGZVFWFLSA-N -1 1 384.469 1.658 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)C1CC2(C1)CCOCC2 ZINC001575154705 952229872 /nfs/dbraw/zinc/22/98/72/952229872.db2.gz UYQDBMYGMXQYMS-GFCCVEGCSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)C1CC2(C1)CCOCC2 ZINC001575154705 952229880 /nfs/dbraw/zinc/22/98/80/952229880.db2.gz UYQDBMYGMXQYMS-GFCCVEGCSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)C[C@H]1CCCCO1)C1CC1 ZINC001575154980 952233737 /nfs/dbraw/zinc/23/37/37/952233737.db2.gz JCRFNGQITBJBCX-ACJLOTCBSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)C[C@H]1CCCCO1)C1CC1 ZINC001575154980 952233743 /nfs/dbraw/zinc/23/37/43/952233743.db2.gz JCRFNGQITBJBCX-ACJLOTCBSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H](F)Cc1ccccc1 ZINC001575155024 952233997 /nfs/dbraw/zinc/23/39/97/952233997.db2.gz JOACUZKYMNOUED-OCCSQVGLSA-N -1 1 384.419 1.496 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H](F)Cc1ccccc1 ZINC001575155024 952234003 /nfs/dbraw/zinc/23/40/03/952234003.db2.gz JOACUZKYMNOUED-OCCSQVGLSA-N -1 1 384.419 1.496 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H]1CCc2ccccc2C1 ZINC001575155497 952240440 /nfs/dbraw/zinc/24/04/40/952240440.db2.gz ZVMLLVJQAILLNV-BBRMVZONSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H]1CCc2ccccc2C1 ZINC001575155497 952240445 /nfs/dbraw/zinc/24/04/45/952240445.db2.gz ZVMLLVJQAILLNV-BBRMVZONSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)[C@H]1CCC1(F)F)C1CC1 ZINC001575155559 952241708 /nfs/dbraw/zinc/24/17/08/952241708.db2.gz NGORSZVRNCSFPD-MEBBXXQBSA-N -1 1 378.387 1.399 20 0 GDADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)[C@H]1CCC1(F)F)C1CC1 ZINC001575155559 952241710 /nfs/dbraw/zinc/24/17/10/952241710.db2.gz NGORSZVRNCSFPD-MEBBXXQBSA-N -1 1 378.387 1.399 20 0 GDADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)[C@@H]1CCCOCC1)C1CC1 ZINC001575156232 952250642 /nfs/dbraw/zinc/25/06/42/952250642.db2.gz RBZGOSAJVWNAAM-XIKOKIGWSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)[C@@H]1CCCOCC1)C1CC1 ZINC001575156232 952250644 /nfs/dbraw/zinc/25/06/44/952250644.db2.gz RBZGOSAJVWNAAM-XIKOKIGWSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)c1ccccc1F)C1CC1 ZINC001575156810 952256708 /nfs/dbraw/zinc/25/67/08/952256708.db2.gz VUTAFADZHPJJJA-SFHVURJKSA-N -1 1 382.403 1.806 20 0 GDADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)c1ccccc1F)C1CC1 ZINC001575156810 952256713 /nfs/dbraw/zinc/25/67/13/952256713.db2.gz VUTAFADZHPJJJA-SFHVURJKSA-N -1 1 382.403 1.806 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)Cc1ccc(Cl)cc1 ZINC001575157260 952262646 /nfs/dbraw/zinc/26/26/46/952262646.db2.gz KPTPMKYENZCSOZ-LLVKDONJSA-N -1 1 386.847 1.812 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)Cc1ccc(Cl)cc1 ZINC001575157260 952262655 /nfs/dbraw/zinc/26/26/55/952262655.db2.gz KPTPMKYENZCSOZ-LLVKDONJSA-N -1 1 386.847 1.812 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)C1(c2ccccn2)CC1 ZINC001575173977 952361035 /nfs/dbraw/zinc/36/10/35/952361035.db2.gz DQBLBPJPRBHNOZ-LBPRGKRZSA-N -1 1 379.428 1.042 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)C1(c2ccccn2)CC1 ZINC001575173977 952361044 /nfs/dbraw/zinc/36/10/44/952361044.db2.gz DQBLBPJPRBHNOZ-LBPRGKRZSA-N -1 1 379.428 1.042 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)n1 ZINC001571114103 952449331 /nfs/dbraw/zinc/44/93/31/952449331.db2.gz BEVPZAAUMIQVLG-WDEREUQCSA-N -1 1 375.339 1.944 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)n1 ZINC001571114103 952449334 /nfs/dbraw/zinc/44/93/34/952449334.db2.gz BEVPZAAUMIQVLG-WDEREUQCSA-N -1 1 375.339 1.944 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC1CC(CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575195417 952472094 /nfs/dbraw/zinc/47/20/94/952472094.db2.gz AYLKGXQQCNVZIJ-HIFPTAJRSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC1CC(CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575195417 952472095 /nfs/dbraw/zinc/47/20/95/952472095.db2.gz AYLKGXQQCNVZIJ-HIFPTAJRSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001575196548 952475683 /nfs/dbraw/zinc/47/56/83/952475683.db2.gz HDONIJWGWCTSKH-ABAIWWIYSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001575196548 952475685 /nfs/dbraw/zinc/47/56/85/952475685.db2.gz HDONIJWGWCTSKH-ABAIWWIYSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)s1)[C@H](O)c1cccc(F)c1 ZINC001571119592 952493594 /nfs/dbraw/zinc/49/35/94/952493594.db2.gz DDFGBOMDSJNRFP-XPTSAGLGSA-N -1 1 376.417 1.989 20 0 GDADMM O=C(c1coc(C(F)F)c1)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571120376 952502294 /nfs/dbraw/zinc/50/22/94/952502294.db2.gz KPROHEKJNWLQAB-SECBINFHSA-N -1 1 376.327 1.514 20 0 GDADMM O=C(c1coc(C(F)F)c1)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571120376 952502298 /nfs/dbraw/zinc/50/22/98/952502298.db2.gz KPROHEKJNWLQAB-SECBINFHSA-N -1 1 376.327 1.514 20 0 GDADMM O=C(N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC001571120760 952508333 /nfs/dbraw/zinc/50/83/33/952508333.db2.gz QRTIJJROJNYWTH-QLFBSQMISA-N -1 1 376.424 1.155 20 0 GDADMM O=C(N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC001571120760 952508341 /nfs/dbraw/zinc/50/83/41/952508341.db2.gz QRTIJJROJNYWTH-QLFBSQMISA-N -1 1 376.424 1.155 20 0 GDADMM Cc1ncsc1C(=O)N1CC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571122742 952525079 /nfs/dbraw/zinc/52/50/79/952525079.db2.gz JRXJRCSDUQWHCA-SECBINFHSA-N -1 1 376.471 1.723 20 0 GDADMM CO[C@H](C)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571123103 952527299 /nfs/dbraw/zinc/52/72/99/952527299.db2.gz OXDGAMBPDCTLKT-DOMZBBRYSA-N -1 1 376.436 1.464 20 0 GDADMM CC[C@H](SC)C(=O)N1CC[C@@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571123054 952527535 /nfs/dbraw/zinc/52/75/35/952527535.db2.gz MRJKGEVOKMZTFK-YPMHNXCESA-N -1 1 376.490 1.449 20 0 GDADMM CC[C@H](SC)C(=O)N1CC[C@@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571123054 952527539 /nfs/dbraw/zinc/52/75/39/952527539.db2.gz MRJKGEVOKMZTFK-YPMHNXCESA-N -1 1 376.490 1.449 20 0 GDADMM Cc1nscc1C(=O)N1CC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571123736 952532132 /nfs/dbraw/zinc/53/21/32/952532132.db2.gz VLVCDZXRFOWRKL-SECBINFHSA-N -1 1 376.471 1.723 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ncc(Cl)s1 ZINC001571127394 952555299 /nfs/dbraw/zinc/55/52/99/952555299.db2.gz GGXZKEQRFKMSAV-KNVOCYPGSA-N -1 1 377.821 1.140 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ncc(Cl)s1 ZINC001571127394 952555302 /nfs/dbraw/zinc/55/53/02/952555302.db2.gz GGXZKEQRFKMSAV-KNVOCYPGSA-N -1 1 377.821 1.140 20 0 GDADMM O=C([C@@H]1CC12CC2)N1C[C@@H]2C[C@H]1CN2c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001571127882 952560671 /nfs/dbraw/zinc/56/06/71/952560671.db2.gz LJWXPRIIEFULJX-CIUDSAMLSA-N -1 1 377.861 1.566 20 0 GDADMM O=C([C@H]1CCC1(F)F)N1CC[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571129334 952573997 /nfs/dbraw/zinc/57/39/97/952573997.db2.gz CLDPAFABIAYJET-WDEREUQCSA-N -1 1 378.387 1.353 20 0 GDADMM O=C([C@H]1CCC1(F)F)N1CC[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571129334 952574000 /nfs/dbraw/zinc/57/40/00/952574000.db2.gz CLDPAFABIAYJET-WDEREUQCSA-N -1 1 378.387 1.353 20 0 GDADMM O=C([C@H]1CCC1(F)F)N1CC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571129329 952574244 /nfs/dbraw/zinc/57/42/44/952574244.db2.gz CLDPAFABIAYJET-GHMZBOCLSA-N -1 1 378.387 1.353 20 0 GDADMM O=C([C@H]1CCC1(F)F)N1CC[C@@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571129329 952574246 /nfs/dbraw/zinc/57/42/46/952574246.db2.gz CLDPAFABIAYJET-GHMZBOCLSA-N -1 1 378.387 1.353 20 0 GDADMM CN(C[C@@H]1CCCN1C(=O)C1(C(F)F)CC1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571129506 952575267 /nfs/dbraw/zinc/57/52/67/952575267.db2.gz FPVKNCFMTAKOCA-JTQLQIEISA-N -1 1 378.387 1.129 20 0 GDADMM CN(C[C@@H]1CCCN1C(=O)C1(C(F)F)CC1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571129506 952575271 /nfs/dbraw/zinc/57/52/71/952575271.db2.gz FPVKNCFMTAKOCA-JTQLQIEISA-N -1 1 378.387 1.129 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)[C@H]2C[C@@H]2C(F)F)CCN1c1nccnc1-c1nnn[n-]1 ZINC001571129519 952575631 /nfs/dbraw/zinc/57/56/31/952575631.db2.gz FVUBOSQHOXQING-XWLWVQCSSA-N -1 1 378.387 1.031 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)[C@H]2C[C@@H]2C(F)F)CCN1c1nccnc1-c1nn[n-]n1 ZINC001571129519 952575634 /nfs/dbraw/zinc/57/56/34/952575634.db2.gz FVUBOSQHOXQING-XWLWVQCSSA-N -1 1 378.387 1.031 20 0 GDADMM CC1(NC(=O)[C@H]2CCC2(F)F)CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571130002 952577893 /nfs/dbraw/zinc/57/78/93/952577893.db2.gz MOUVLNDYYYPDLF-SNVBAGLBSA-N -1 1 378.387 1.177 20 0 GDADMM CC1(NC(=O)[C@H]2CCC2(F)F)CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571130002 952577895 /nfs/dbraw/zinc/57/78/95/952577895.db2.gz MOUVLNDYYYPDLF-SNVBAGLBSA-N -1 1 378.387 1.177 20 0 GDADMM O=C([C@H]1CC1(F)F)N1CCC(CCNc2nccnc2-c2nnn[n-]2)CC1 ZINC001571130050 952578349 /nfs/dbraw/zinc/57/83/49/952578349.db2.gz OEUQLVLSWDZSOM-LLVKDONJSA-N -1 1 378.387 1.353 20 0 GDADMM O=C([C@H]1CC1(F)F)N1CCC(CCNc2nccnc2-c2nn[n-]n2)CC1 ZINC001571130050 952578351 /nfs/dbraw/zinc/57/83/51/952578351.db2.gz OEUQLVLSWDZSOM-LLVKDONJSA-N -1 1 378.387 1.353 20 0 GDADMM Cc1ccc(C(=O)N[C@@]2(C)CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c(C)c1 ZINC001571134354 952590074 /nfs/dbraw/zinc/59/00/74/952590074.db2.gz HTXDGZSQUMYVKJ-IBGZPJMESA-N -1 1 378.440 1.672 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571134421 952590711 /nfs/dbraw/zinc/59/07/11/952590711.db2.gz FWZQNHRZRXKQNF-HIFRSBDPSA-N -1 1 378.440 1.548 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571134421 952590715 /nfs/dbraw/zinc/59/07/15/952590715.db2.gz FWZQNHRZRXKQNF-HIFRSBDPSA-N -1 1 378.440 1.548 20 0 GDADMM CCN(C(=O)C1C=CC=CC=C1)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571134650 952592474 /nfs/dbraw/zinc/59/24/74/952592474.db2.gz JKAAXTJZGHUBHN-HNNXBMFYSA-N -1 1 378.440 1.382 20 0 GDADMM CCN(C(=O)C1C=CC=CC=C1)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571134650 952592481 /nfs/dbraw/zinc/59/24/81/952592481.db2.gz JKAAXTJZGHUBHN-HNNXBMFYSA-N -1 1 378.440 1.382 20 0 GDADMM CCCc1ccccc1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571134969 952597618 /nfs/dbraw/zinc/59/76/18/952597618.db2.gz ODVRKXRBGLKJRI-AWEZNQCLSA-N -1 1 378.440 1.618 20 0 GDADMM Cc1ccccc1C(=O)N1CCC(CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571134986 952598269 /nfs/dbraw/zinc/59/82/69/952598269.db2.gz PMZFZRNRNBOUQE-UHFFFAOYSA-N -1 1 378.440 1.929 20 0 GDADMM Cc1ccccc1C(=O)N1CCC(CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571134986 952598273 /nfs/dbraw/zinc/59/82/73/952598273.db2.gz PMZFZRNRNBOUQE-UHFFFAOYSA-N -1 1 378.440 1.929 20 0 GDADMM Cc1ccc(C(=O)NC2CC(CNc3cnc(-c4nnn[n-]4)cn3)C2)c(C)c1 ZINC001571135048 952598435 /nfs/dbraw/zinc/59/84/35/952598435.db2.gz QRZSNNXBFRGIOH-UHFFFAOYSA-N -1 1 378.440 1.894 20 0 GDADMM Cc1ccc(C(=O)NC2CC(CNc3cnc(-c4nn[n-]n4)cn3)C2)c(C)c1 ZINC001571135048 952598438 /nfs/dbraw/zinc/59/84/38/952598438.db2.gz QRZSNNXBFRGIOH-UHFFFAOYSA-N -1 1 378.440 1.894 20 0 GDADMM CCCc1ccccc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571135233 952601615 /nfs/dbraw/zinc/60/16/15/952601615.db2.gz RRCPMFIMHOUBSG-AWEZNQCLSA-N -1 1 378.440 1.358 20 0 GDADMM CCCc1ccc(C(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001571135555 952605751 /nfs/dbraw/zinc/60/57/51/952605751.db2.gz WQCRKWLBHUNCOE-OAHLLOKOSA-N -1 1 378.440 1.618 20 0 GDADMM CCCc1ccc(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001571135555 952605753 /nfs/dbraw/zinc/60/57/53/952605753.db2.gz WQCRKWLBHUNCOE-OAHLLOKOSA-N -1 1 378.440 1.618 20 0 GDADMM O=C(Cc1ccc[nH]1)N1CC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571142817 952647213 /nfs/dbraw/zinc/64/72/13/952647213.db2.gz ZVPQUCJEVRQQON-VIFPVBQESA-N -1 1 378.849 1.560 20 0 GDADMM O=C(Cc1ccc[nH]1)N1CC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571142817 952647218 /nfs/dbraw/zinc/64/72/18/952647218.db2.gz ZVPQUCJEVRQQON-VIFPVBQESA-N -1 1 378.849 1.560 20 0 GDADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H]1CCCN(C(=O)c2cccnc2)C1 ZINC001571146774 952651943 /nfs/dbraw/zinc/65/19/43/952651943.db2.gz BSTCGQJSNSWTGP-JSGCOSHPSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H]1CCCN(C(=O)c2cccnc2)C1 ZINC001571146774 952651948 /nfs/dbraw/zinc/65/19/48/952651948.db2.gz BSTCGQJSNSWTGP-JSGCOSHPSA-N -1 1 379.428 1.405 20 0 GDADMM Cc1ncccc1CC(=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571146737 952652515 /nfs/dbraw/zinc/65/25/15/952652515.db2.gz MGVCYINOXUJDFD-CQSZACIVSA-N -1 1 379.428 1.006 20 0 GDADMM Cc1ncccc1CC(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571146737 952652518 /nfs/dbraw/zinc/65/25/18/952652518.db2.gz MGVCYINOXUJDFD-CQSZACIVSA-N -1 1 379.428 1.006 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001571148213 952665552 /nfs/dbraw/zinc/66/55/52/952665552.db2.gz VOPLBLQAXAIUQO-ZIAGYGMSSA-N -1 1 379.428 1.177 20 0 GDADMM Cc1nc[nH]c1C(=O)N[C@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571152064 952681097 /nfs/dbraw/zinc/68/10/97/952681097.db2.gz CHFYQKHCYFDBQX-ZETCQYMHSA-N -1 1 379.837 1.017 20 0 GDADMM O=C(N[C@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1)C1CC2(CC2)C1 ZINC001571152248 952682001 /nfs/dbraw/zinc/68/20/01/952682001.db2.gz FYZOLELAVUGHML-VIFPVBQESA-N -1 1 379.877 1.862 20 0 GDADMM Cc1c[nH]c(C(=O)N2CC[C@H](Nc3nc(Cl)c(-c4nnn[n-]4)s3)C2)n1 ZINC001571152927 952684233 /nfs/dbraw/zinc/68/42/33/952684233.db2.gz LMENCGAXHYTMDY-ZETCQYMHSA-N -1 1 379.837 1.335 20 0 GDADMM Cc1c[nH]c(C(=O)N2CC[C@H](Nc3nc(Cl)c(-c4nn[n-]n4)s3)C2)n1 ZINC001571152927 952684235 /nfs/dbraw/zinc/68/42/35/952684235.db2.gz LMENCGAXHYTMDY-ZETCQYMHSA-N -1 1 379.837 1.335 20 0 GDADMM C[C@@]1(NC(=O)c2ccn[nH]2)CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571153354 952686115 /nfs/dbraw/zinc/68/61/15/952686115.db2.gz PGINCBZRSGMAQZ-CYBMUJFWSA-N -1 1 379.837 1.099 20 0 GDADMM C[C@@]1(NC(=O)c2ccn[nH]2)CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571153354 952686119 /nfs/dbraw/zinc/68/61/19/952686119.db2.gz PGINCBZRSGMAQZ-CYBMUJFWSA-N -1 1 379.837 1.099 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@@H]2CCN(C(=O)[C@@H](C)C(C)(F)F)C2)n1 ZINC001571154764 952689230 /nfs/dbraw/zinc/68/92/30/952689230.db2.gz BBHAACPKFBUNDV-GHMZBOCLSA-N -1 1 380.403 1.294 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@@H]2CCN(C(=O)[C@@H](C)C(C)(F)F)C2)n1 ZINC001571154764 952689235 /nfs/dbraw/zinc/68/92/35/952689235.db2.gz BBHAACPKFBUNDV-GHMZBOCLSA-N -1 1 380.403 1.294 20 0 GDADMM C[C@H]1CCN(C(=O)CC(C)(F)F)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571154982 952690816 /nfs/dbraw/zinc/69/08/16/952690816.db2.gz DBPLRRRDRUKMKB-QWRGUYRKSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H]1CCN(C(=O)CC(C)(F)F)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571154982 952690820 /nfs/dbraw/zinc/69/08/20/952690820.db2.gz DBPLRRRDRUKMKB-QWRGUYRKSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1)C(C)(F)F ZINC001571155437 952696454 /nfs/dbraw/zinc/69/64/54/952696454.db2.gz RTDGCBZBDRRJFD-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001571155437 952696457 /nfs/dbraw/zinc/69/64/57/952696457.db2.gz RTDGCBZBDRRJFD-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)c2ccccc2O)CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571155454 952697240 /nfs/dbraw/zinc/69/72/40/952697240.db2.gz SMCSMIHCNCLUAM-GXTWGEPZSA-N -1 1 380.412 1.150 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)c2ccccc2O)CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571155454 952697244 /nfs/dbraw/zinc/69/72/44/952697244.db2.gz SMCSMIHCNCLUAM-GXTWGEPZSA-N -1 1 380.412 1.150 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H]1CCCCN1C(=O)CC(C)(F)F ZINC001571155524 952698105 /nfs/dbraw/zinc/69/81/05/952698105.db2.gz VNMBVBCPFZNZFT-GHMZBOCLSA-N -1 1 380.403 1.884 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H]1CCCCN1C(=O)CC(C)(F)F ZINC001571155524 952698107 /nfs/dbraw/zinc/69/81/07/952698107.db2.gz VNMBVBCPFZNZFT-GHMZBOCLSA-N -1 1 380.403 1.884 20 0 GDADMM Cc1cccnc1C(=O)N1CC[C@H]([C@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571156648 952703311 /nfs/dbraw/zinc/70/33/11/952703311.db2.gz GBHUNHSGTHVVLC-STQMWFEESA-N -1 1 379.428 1.323 20 0 GDADMM Cc1cccnc1C(=O)N1CC[C@H]([C@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571156648 952703317 /nfs/dbraw/zinc/70/33/17/952703317.db2.gz GBHUNHSGTHVVLC-STQMWFEESA-N -1 1 379.428 1.323 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H](N(C)c3ccnc(-c4nn[n-]n4)n3)C2)cc(C)n1 ZINC001571156740 952704977 /nfs/dbraw/zinc/70/49/77/952704977.db2.gz IKJLZAYUZUVZGS-CQSZACIVSA-N -1 1 379.428 1.019 20 0 GDADMM Cc1cccc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)[C@H]2C)n1 ZINC001571157200 952707083 /nfs/dbraw/zinc/70/70/83/952707083.db2.gz NKKYPJFAARTXPP-QWHCGFSZSA-N -1 1 379.428 1.147 20 0 GDADMM Cc1cccc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)[C@H]2C)n1 ZINC001571157200 952707087 /nfs/dbraw/zinc/70/70/87/952707087.db2.gz NKKYPJFAARTXPP-QWHCGFSZSA-N -1 1 379.428 1.147 20 0 GDADMM COc1cccc(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c1C ZINC001571158473 952711999 /nfs/dbraw/zinc/71/19/99/952711999.db2.gz ISXSRHNZERZLFF-GFCCVEGCSA-N -1 1 380.412 1.300 20 0 GDADMM COc1cccc(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c1C ZINC001571158473 952712004 /nfs/dbraw/zinc/71/20/04/952712004.db2.gz ISXSRHNZERZLFF-GFCCVEGCSA-N -1 1 380.412 1.300 20 0 GDADMM Cc1cnc(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)c(C)c1 ZINC001571159723 952722240 /nfs/dbraw/zinc/72/22/40/952722240.db2.gz VVIDJQVZSQAAQI-ZDUSSCGKSA-N -1 1 379.428 1.067 20 0 GDADMM O=C(COc1ccccc1)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571160091 952723945 /nfs/dbraw/zinc/72/39/45/952723945.db2.gz DLSRMLKMKFCIHF-ZDUSSCGKSA-N -1 1 380.412 1.139 20 0 GDADMM O=C(COc1ccccc1)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571160091 952723947 /nfs/dbraw/zinc/72/39/47/952723947.db2.gz DLSRMLKMKFCIHF-ZDUSSCGKSA-N -1 1 380.412 1.139 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)c3cccnc3)C[C@H]2C)n1 ZINC001571160364 952726478 /nfs/dbraw/zinc/72/64/78/952726478.db2.gz ZNRTWLCYGZOXAF-BXUZGUMPSA-N -1 1 379.428 1.323 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)c3cccnc3)C[C@H]2C)n1 ZINC001571160364 952726481 /nfs/dbraw/zinc/72/64/81/952726481.db2.gz ZNRTWLCYGZOXAF-BXUZGUMPSA-N -1 1 379.428 1.323 20 0 GDADMM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cc2c(o1)CCCC2 ZINC001571161642 952733895 /nfs/dbraw/zinc/73/38/95/952733895.db2.gz ZMNGFLWPOGRXFO-GFCCVEGCSA-N -1 1 380.412 1.137 20 0 GDADMM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cc2c(o1)CCCC2 ZINC001571161642 952733899 /nfs/dbraw/zinc/73/38/99/952733899.db2.gz ZMNGFLWPOGRXFO-GFCCVEGCSA-N -1 1 380.412 1.137 20 0 GDADMM C[C@@H]1CN(C(=O)c2cnc(C3CC3)o2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571170764 952788786 /nfs/dbraw/zinc/78/87/86/952788786.db2.gz LKHOJHBZGNJFGP-BXKDBHETSA-N -1 1 381.400 1.095 20 0 GDADMM C[C@@H]1CN(C(=O)c2cnc(C3CC3)o2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571170764 952788788 /nfs/dbraw/zinc/78/87/88/952788788.db2.gz LKHOJHBZGNJFGP-BXKDBHETSA-N -1 1 381.400 1.095 20 0 GDADMM O=C([C@H]1CC12CCC2)N1CC[C@@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571171549 952794062 /nfs/dbraw/zinc/79/40/62/952794062.db2.gz BTDJNWCYBNNAHC-FZKQIMNGSA-N -1 1 380.456 1.276 20 0 GDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1cc[nH]c(=O)c1Br ZINC001571171857 952798363 /nfs/dbraw/zinc/79/83/63/952798363.db2.gz HBUXAHJPPIZNOQ-UHFFFAOYSA-N -1 1 381.215 1.721 20 0 GDADMM Cc1nocc1C(=O)N1CC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571172052 952801221 /nfs/dbraw/zinc/80/12/21/952801221.db2.gz LHKWCFWPSTXTOJ-ZETCQYMHSA-N -1 1 380.821 1.600 20 0 GDADMM Cc1nocc1C(=O)N1CC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571172052 952801225 /nfs/dbraw/zinc/80/12/25/952801225.db2.gz LHKWCFWPSTXTOJ-ZETCQYMHSA-N -1 1 380.821 1.600 20 0 GDADMM O=C(N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001571172105 952801838 /nfs/dbraw/zinc/80/18/38/952801838.db2.gz MHOLVPHDZPGFBE-GMMGAPQESA-N -1 1 380.456 1.034 20 0 GDADMM O=C(N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001571172105 952801844 /nfs/dbraw/zinc/80/18/44/952801844.db2.gz MHOLVPHDZPGFBE-GMMGAPQESA-N -1 1 380.456 1.034 20 0 GDADMM O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571172166 952803367 /nfs/dbraw/zinc/80/33/67/952803367.db2.gz OGRREUSAWALAHL-GADBESIXSA-N -1 1 380.456 1.273 20 0 GDADMM O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571172166 952803372 /nfs/dbraw/zinc/80/33/72/952803372.db2.gz OGRREUSAWALAHL-GADBESIXSA-N -1 1 380.456 1.273 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1coc(C2CC2)n1 ZINC001571176497 952832313 /nfs/dbraw/zinc/83/23/13/952832313.db2.gz RXLJVQIEQZYJQQ-JGZJWPJOSA-N -1 1 381.400 1.143 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1coc(C2CC2)n1 ZINC001571176497 952832320 /nfs/dbraw/zinc/83/23/20/952832320.db2.gz RXLJVQIEQZYJQQ-JGZJWPJOSA-N -1 1 381.400 1.143 20 0 GDADMM O=C(c1cc(C2CC2)on1)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571178449 952841491 /nfs/dbraw/zinc/84/14/91/952841491.db2.gz JBAPHOGOHBWIBP-JTQLQIEISA-N -1 1 381.400 1.096 20 0 GDADMM O=C(c1cc(C2CC2)on1)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571178449 952841505 /nfs/dbraw/zinc/84/15/05/952841505.db2.gz JBAPHOGOHBWIBP-JTQLQIEISA-N -1 1 381.400 1.096 20 0 GDADMM CCc1[nH]ccc1C(=O)N1CC[C@@H](Nc2cc(-c3nnn[n-]3)nc(CC)n2)C1 ZINC001571183882 952884620 /nfs/dbraw/zinc/88/46/20/952884620.db2.gz LXYQCPNYKORCKN-LLVKDONJSA-N -1 1 381.444 1.436 20 0 GDADMM CCc1[nH]ccc1C(=O)N1CC[C@@H](Nc2cc(-c3nn[n-]n3)nc(CC)n2)C1 ZINC001571183882 952884624 /nfs/dbraw/zinc/88/46/24/952884624.db2.gz LXYQCPNYKORCKN-LLVKDONJSA-N -1 1 381.444 1.436 20 0 GDADMM CCc1nc(N[C@H]2C[C@H](C)N(C(=O)c3[nH]ccc3C)C2)cc(-c2nnn[n-]2)n1 ZINC001571183975 952885638 /nfs/dbraw/zinc/88/56/38/952885638.db2.gz NVVBEIAYQPEFKP-RYUDHWBXSA-N -1 1 381.444 1.571 20 0 GDADMM CCc1nc(N[C@H]2C[C@H](C)N(C(=O)c3[nH]ccc3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571183975 952885641 /nfs/dbraw/zinc/88/56/41/952885641.db2.gz NVVBEIAYQPEFKP-RYUDHWBXSA-N -1 1 381.444 1.571 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001571184191 952889741 /nfs/dbraw/zinc/88/97/41/952889741.db2.gz SUZDNLDOADTQGJ-ZIAGYGMSSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001571184191 952889746 /nfs/dbraw/zinc/88/97/46/952889746.db2.gz SUZDNLDOADTQGJ-ZIAGYGMSSA-N -1 1 381.444 1.370 20 0 GDADMM Cc1cc(C(=O)N2C[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C[C@H]2C)c(C)[nH]1 ZINC001571186267 952905317 /nfs/dbraw/zinc/90/53/17/952905317.db2.gz UTXJUYAMJKEYFJ-DGCLKSJQSA-N -1 1 381.444 1.625 20 0 GDADMM Cc1cc(C(=O)N2C[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C[C@H]2C)c(C)[nH]1 ZINC001571186267 952905324 /nfs/dbraw/zinc/90/53/24/952905324.db2.gz UTXJUYAMJKEYFJ-DGCLKSJQSA-N -1 1 381.444 1.625 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CCC([C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571186312 952906586 /nfs/dbraw/zinc/90/65/86/952906586.db2.gz WEWCJCOJTOOFSP-LLVKDONJSA-N -1 1 381.444 1.646 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CCC([C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571186312 952906590 /nfs/dbraw/zinc/90/65/90/952906590.db2.gz WEWCJCOJTOOFSP-LLVKDONJSA-N -1 1 381.444 1.646 20 0 GDADMM Cc1c(C(=O)N2CC[C@@H]([C@H](C)Nc3ccc(-c4nnn[n-]4)nn3)C2)ccn1C ZINC001571186622 952908149 /nfs/dbraw/zinc/90/81/49/952908149.db2.gz YSPNUSHLPQZWPM-WCQYABFASA-N -1 1 381.444 1.266 20 0 GDADMM Cc1c(C(=O)N2CC[C@@H]([C@H](C)Nc3ccc(-c4nn[n-]n4)nn3)C2)ccn1C ZINC001571186622 952908153 /nfs/dbraw/zinc/90/81/53/952908153.db2.gz YSPNUSHLPQZWPM-WCQYABFASA-N -1 1 381.444 1.266 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CCC[C@H]([C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571188000 952911708 /nfs/dbraw/zinc/91/17/08/952911708.db2.gz FMNRHFXYYZDTTE-OLZOCXBDSA-N -1 1 381.444 1.646 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CCC[C@H]([C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571188000 952911709 /nfs/dbraw/zinc/91/17/09/952911709.db2.gz FMNRHFXYYZDTTE-OLZOCXBDSA-N -1 1 381.444 1.646 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H](CN(C)c3ccc(-c4nnn[n-]4)nn3)C2)c(C)[nH]1 ZINC001571188588 952917561 /nfs/dbraw/zinc/91/75/61/952917561.db2.gz LLPOOAQLZDUYKU-ZDUSSCGKSA-N -1 1 381.444 1.200 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H](CN(C)c3ccc(-c4nn[n-]n4)nn3)C2)c(C)[nH]1 ZINC001571188588 952917565 /nfs/dbraw/zinc/91/75/65/952917565.db2.gz LLPOOAQLZDUYKU-ZDUSSCGKSA-N -1 1 381.444 1.200 20 0 GDADMM O=C(Cc1ccc[nH]1)N1CCCCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571189706 952933542 /nfs/dbraw/zinc/93/35/42/952933542.db2.gz SCUZPWAINUROLT-CQSZACIVSA-N -1 1 381.444 1.411 20 0 GDADMM O=C(Cc1ccc[nH]1)N1CCCCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571189706 952933543 /nfs/dbraw/zinc/93/35/43/952933543.db2.gz SCUZPWAINUROLT-CQSZACIVSA-N -1 1 381.444 1.411 20 0 GDADMM O=C(Cn1c(=O)[nH]cc(-c2nn[n-]n2)c1=O)Nc1cc(Cl)ccc1Cl ZINC001571190807 952944231 /nfs/dbraw/zinc/94/42/31/952944231.db2.gz MMMSVYJJCLEKAC-UHFFFAOYSA-N -1 1 382.167 1.075 20 0 GDADMM Cc1c(F)cccc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@H]1C ZINC001571196714 952982891 /nfs/dbraw/zinc/98/28/91/952982891.db2.gz MRQNNPWCWSDUSN-RISCZKNCSA-N -1 1 382.403 1.241 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)c3ccccc3F)[C@H]2C)n1 ZINC001571196702 952982908 /nfs/dbraw/zinc/98/29/08/952982908.db2.gz MMEQUGJFPATRGH-SMDDNHRTSA-N -1 1 382.403 1.819 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)c3ccccc3F)[C@H]2C)n1 ZINC001571196702 952982910 /nfs/dbraw/zinc/98/29/10/952982910.db2.gz MMEQUGJFPATRGH-SMDDNHRTSA-N -1 1 382.403 1.819 20 0 GDADMM Cc1cc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)cc(C)c1F ZINC001571197093 952986399 /nfs/dbraw/zinc/98/63/99/952986399.db2.gz RQZJFXVRIOJBNE-UHFFFAOYSA-N -1 1 382.403 1.375 20 0 GDADMM Cc1cc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)cc(C)c1F ZINC001571197093 952986403 /nfs/dbraw/zinc/98/64/03/952986403.db2.gz RQZJFXVRIOJBNE-UHFFFAOYSA-N -1 1 382.403 1.375 20 0 GDADMM O=C([C@@H](F)c1ccccc1)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571197169 952987661 /nfs/dbraw/zinc/98/76/61/952987661.db2.gz TUVUDWSKXJHPHZ-ZFWWWQNUSA-N -1 1 382.403 1.192 20 0 GDADMM C[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccc(F)cc1 ZINC001571197302 952988299 /nfs/dbraw/zinc/98/82/99/952988299.db2.gz VWARDTVHVUGUAL-SMDDNHRTSA-N -1 1 382.403 1.901 20 0 GDADMM C[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccc(F)cc1 ZINC001571197302 952988302 /nfs/dbraw/zinc/98/83/02/952988302.db2.gz VWARDTVHVUGUAL-SMDDNHRTSA-N -1 1 382.403 1.901 20 0 GDADMM C[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cccc(F)c1 ZINC001571197357 952988533 /nfs/dbraw/zinc/98/85/33/952988533.db2.gz XTVZKCGOWPQOIT-RISCZKNCSA-N -1 1 382.403 1.901 20 0 GDADMM C[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cccc(F)c1 ZINC001571197357 952988537 /nfs/dbraw/zinc/98/85/37/952988537.db2.gz XTVZKCGOWPQOIT-RISCZKNCSA-N -1 1 382.403 1.901 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)c3ccccc3F)C2)cc(-c2nnn[n-]2)n1 ZINC001571197410 952989835 /nfs/dbraw/zinc/98/98/35/952989835.db2.gz ZKVNYRXOYNJINP-LLVKDONJSA-N -1 1 382.403 1.685 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)c3ccccc3F)C2)cc(-c2nn[n-]n2)n1 ZINC001571197410 952989838 /nfs/dbraw/zinc/98/98/38/952989838.db2.gz ZKVNYRXOYNJINP-LLVKDONJSA-N -1 1 382.403 1.685 20 0 GDADMM Cc1occc1C(=O)N[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001571198988 952995609 /nfs/dbraw/zinc/99/56/09/952995609.db2.gz JNTRDFAVGOZQSV-YPMHNXCESA-N -1 1 382.428 1.654 20 0 GDADMM Cc1occc1C(=O)N[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001571198988 952995614 /nfs/dbraw/zinc/99/56/14/952995614.db2.gz JNTRDFAVGOZQSV-YPMHNXCESA-N -1 1 382.428 1.654 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](NC(=O)c3occc3C(C)C)C2)n1 ZINC001571199225 952997214 /nfs/dbraw/zinc/99/72/14/952997214.db2.gz NVKIRPSEJOHRHV-GFCCVEGCSA-N -1 1 382.428 1.690 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)c3occc3C(C)C)C2)n1 ZINC001571199225 952997219 /nfs/dbraw/zinc/99/72/19/952997219.db2.gz NVKIRPSEJOHRHV-GFCCVEGCSA-N -1 1 382.428 1.690 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)c3occc3C(C)C)C2)n1 ZINC001571199226 952997284 /nfs/dbraw/zinc/99/72/84/952997284.db2.gz NVKIRPSEJOHRHV-LBPRGKRZSA-N -1 1 382.428 1.690 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)c3occc3C(C)C)C2)n1 ZINC001571199226 952997291 /nfs/dbraw/zinc/99/72/91/952997291.db2.gz NVKIRPSEJOHRHV-LBPRGKRZSA-N -1 1 382.428 1.690 20 0 GDADMM Cc1cc(C(=O)N2C[C@H](C)[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)c(C)o1 ZINC001571200774 953011592 /nfs/dbraw/zinc/01/15/92/953011592.db2.gz GAHDJIANNDPUSU-GWCFXTLKSA-N -1 1 382.428 1.687 20 0 GDADMM Cc1cc(C(=O)N2C[C@H](C)[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)c(C)o1 ZINC001571200774 953011597 /nfs/dbraw/zinc/01/15/97/953011597.db2.gz GAHDJIANNDPUSU-GWCFXTLKSA-N -1 1 382.428 1.687 20 0 GDADMM Cc1coc(C)c1C(=O)N[C@@H]1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571200752 953012155 /nfs/dbraw/zinc/01/21/55/953012155.db2.gz FRHCBXQOKOHZQK-QWHCGFSZSA-N -1 1 382.428 1.877 20 0 GDADMM Cc1coc(C)c1C(=O)N[C@@H]1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571200752 953012159 /nfs/dbraw/zinc/01/21/59/953012159.db2.gz FRHCBXQOKOHZQK-QWHCGFSZSA-N -1 1 382.428 1.877 20 0 GDADMM Cc1coc(C)c1C(=O)N1CCC(C)(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001571201020 953014125 /nfs/dbraw/zinc/01/41/25/953014125.db2.gz IDOGVGKLEKTFLG-UHFFFAOYSA-N -1 1 382.428 1.973 20 0 GDADMM Cc1coc(C)c1C(=O)N1CCC(C)(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001571201020 953014127 /nfs/dbraw/zinc/01/41/27/953014127.db2.gz IDOGVGKLEKTFLG-UHFFFAOYSA-N -1 1 382.428 1.973 20 0 GDADMM CCCc1occc1C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)[C@H]1C ZINC001571202083 953022722 /nfs/dbraw/zinc/02/27/22/953022722.db2.gz UZLIICRMPWMAFS-YPMHNXCESA-N -1 1 382.428 1.917 20 0 GDADMM CCCc1occc1C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)[C@H]1C ZINC001571202083 953022725 /nfs/dbraw/zinc/02/27/25/953022725.db2.gz UZLIICRMPWMAFS-YPMHNXCESA-N -1 1 382.428 1.917 20 0 GDADMM O=C(Cc1ccccc1F)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571202519 953026206 /nfs/dbraw/zinc/02/62/06/953026206.db2.gz ZSZDQQGOZJIRIV-AULYBMBSSA-N -1 1 382.403 1.345 20 0 GDADMM O=C(Cc1ccccc1F)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571202519 953026210 /nfs/dbraw/zinc/02/62/10/953026210.db2.gz ZSZDQQGOZJIRIV-AULYBMBSSA-N -1 1 382.403 1.345 20 0 GDADMM Cc1cocc1C(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)[C@@H](C)C1 ZINC001571202804 953028661 /nfs/dbraw/zinc/02/86/61/953028661.db2.gz YYKWHMHAFJNVES-AAEUAGOBSA-N -1 1 382.428 1.768 20 0 GDADMM Cc1cocc1C(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)[C@@H](C)C1 ZINC001571202804 953028669 /nfs/dbraw/zinc/02/86/69/953028669.db2.gz YYKWHMHAFJNVES-AAEUAGOBSA-N -1 1 382.428 1.768 20 0 GDADMM Cc1coc(C(=O)N2CCC[C@H](C)[C@H]2CNc2nccnc2-c2nnn[n-]2)c1 ZINC001571202755 953028921 /nfs/dbraw/zinc/02/89/21/953028921.db2.gz YDUOWGKYHNOXAH-QWHCGFSZSA-N -1 1 382.428 1.911 20 0 GDADMM Cc1coc(C(=O)N2CCC[C@H](C)[C@H]2CNc2nccnc2-c2nn[n-]n2)c1 ZINC001571202755 953028923 /nfs/dbraw/zinc/02/89/23/953028923.db2.gz YDUOWGKYHNOXAH-QWHCGFSZSA-N -1 1 382.428 1.911 20 0 GDADMM CC(C)n1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571205086 953035397 /nfs/dbraw/zinc/03/53/97/953035397.db2.gz GGNMKQIWQHLHQH-BXUZGUMPSA-N -1 1 382.432 1.007 20 0 GDADMM CC(C)n1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571205086 953035404 /nfs/dbraw/zinc/03/54/04/953035404.db2.gz GGNMKQIWQHLHQH-BXUZGUMPSA-N -1 1 382.432 1.007 20 0 GDADMM CC(C)n1nccc1C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571205513 953038774 /nfs/dbraw/zinc/03/87/74/953038774.db2.gz KTFSNGOSFPAXDL-HAQNSBGRSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1nccc1C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571205513 953038778 /nfs/dbraw/zinc/03/87/78/953038778.db2.gz KTFSNGOSFPAXDL-HAQNSBGRSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1nccc1C(=O)N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571206029 953045623 /nfs/dbraw/zinc/04/56/23/953045623.db2.gz QYYUNNDSXPZZFK-LBPRGKRZSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1nccc1C(=O)N1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571206029 953045625 /nfs/dbraw/zinc/04/56/25/953045625.db2.gz QYYUNNDSXPZZFK-LBPRGKRZSA-N -1 1 382.432 1.151 20 0 GDADMM Cc1[nH]nc(C(=O)N[C@H]2CC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)c1C ZINC001571207189 953059942 /nfs/dbraw/zinc/05/99/42/953059942.db2.gz OLGLAOOJDQPOMZ-RYUDHWBXSA-N -1 1 382.432 1.007 20 0 GDADMM Cc1c[nH]c(C(=O)N2CCC[C@@H]([C@@H](C)Nc3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571207685 953066150 /nfs/dbraw/zinc/06/61/50/953066150.db2.gz ZSVFUWODTMHOIU-VXGBXAGGSA-N -1 1 382.432 1.041 20 0 GDADMM Cc1c[nH]c(C(=O)N2CCC[C@@H]([C@@H](C)Nc3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571207685 953066151 /nfs/dbraw/zinc/06/61/51/953066151.db2.gz ZSVFUWODTMHOIU-VXGBXAGGSA-N -1 1 382.432 1.041 20 0 GDADMM Cc1cscc1C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1 ZINC001571209972 953069684 /nfs/dbraw/zinc/06/96/84/953069684.db2.gz KJSHIHBOKVFHIH-TXEJJXNPSA-N -1 1 382.453 1.235 20 0 GDADMM Cc1cscc1C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001571209972 953069687 /nfs/dbraw/zinc/06/96/87/953069687.db2.gz KJSHIHBOKVFHIH-TXEJJXNPSA-N -1 1 382.453 1.235 20 0 GDADMM Cc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nnn[n-]3)n2)sc1C ZINC001571210594 953072870 /nfs/dbraw/zinc/07/28/70/953072870.db2.gz TXZCGTQRTZGIJT-RYUDHWBXSA-N -1 1 382.453 1.438 20 0 GDADMM Cc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nn[n-]n3)n2)sc1C ZINC001571210594 953072875 /nfs/dbraw/zinc/07/28/75/953072875.db2.gz TXZCGTQRTZGIJT-RYUDHWBXSA-N -1 1 382.453 1.438 20 0 GDADMM CC(C)(C(=O)N1CCC[C@H]2[C@@H]1CCN2c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001571211511 953077684 /nfs/dbraw/zinc/07/76/84/953077684.db2.gz AGLJRJYDWOCZLT-GJZGRUSLSA-N -1 1 382.472 1.663 20 0 GDADMM CC(C)(C(=O)N1CCC[C@H]2[C@@H]1CCN2c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001571211511 953077685 /nfs/dbraw/zinc/07/76/85/953077685.db2.gz AGLJRJYDWOCZLT-GJZGRUSLSA-N -1 1 382.472 1.663 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@@H](CNC(=O)[C@H]3CCCC34CC4)C2)n1 ZINC001571211580 953078497 /nfs/dbraw/zinc/07/84/97/953078497.db2.gz CGCOHFAEXCCQMC-HZSPNIEDSA-N -1 1 382.472 1.852 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@@H](CNC(=O)[C@H]3CCCC34CC4)C2)n1 ZINC001571211580 953078502 /nfs/dbraw/zinc/07/85/02/953078502.db2.gz CGCOHFAEXCCQMC-HZSPNIEDSA-N -1 1 382.472 1.852 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1CNC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001571211553 953078627 /nfs/dbraw/zinc/07/86/27/953078627.db2.gz BIZAOPGBCFBRRP-PXWIGAEESA-N -1 1 382.472 1.426 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1CNC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001571211553 953078631 /nfs/dbraw/zinc/07/86/31/953078631.db2.gz BIZAOPGBCFBRRP-PXWIGAEESA-N -1 1 382.472 1.426 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@]3(NC(=O)[C@H]4C[C@@H]4C)CCC[C@@H]23)n1 ZINC001571212452 953087692 /nfs/dbraw/zinc/08/76/92/953087692.db2.gz LXCVKRGMLHJLOI-CKEAHLDZSA-N -1 1 382.472 1.493 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@]3(NC(=O)[C@H]4C[C@@H]4C)CCC[C@@H]23)n1 ZINC001571212452 953087697 /nfs/dbraw/zinc/08/76/97/953087697.db2.gz LXCVKRGMLHJLOI-CKEAHLDZSA-N -1 1 382.472 1.493 20 0 GDADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCCN(C(=O)[C@@H]2CC23CCCC3)C1 ZINC001571212445 953088258 /nfs/dbraw/zinc/08/82/58/953088258.db2.gz LQPCOHBXMYKPAI-KGLIPLIRSA-N -1 1 382.472 1.664 20 0 GDADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCCN(C(=O)[C@@H]2CC23CCCC3)C1 ZINC001571212445 953088261 /nfs/dbraw/zinc/08/82/61/953088261.db2.gz LQPCOHBXMYKPAI-KGLIPLIRSA-N -1 1 382.472 1.664 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)NC1CC2(C1)CC(Nc1ccc(-c3nnn[n-]3)nn1)C2 ZINC001571212529 953089776 /nfs/dbraw/zinc/08/97/76/953089776.db2.gz MWKOERBABVSXET-MAWWUMEMSA-N -1 1 382.472 1.788 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)NC1CC2(C1)CC(Nc1ccc(-c3nn[n-]n3)nn1)C2 ZINC001571212529 953089780 /nfs/dbraw/zinc/08/97/80/953089780.db2.gz MWKOERBABVSXET-MAWWUMEMSA-N -1 1 382.472 1.788 20 0 GDADMM CC1(C)C[C@H]1C(=O)N1C[C@@]2(C)CN(c3nccnc3-c3nnn[n-]3)C[C@@]2(C)C1 ZINC001571212967 953091242 /nfs/dbraw/zinc/09/12/42/953091242.db2.gz ONCKUNPSFPTEEE-YXKWSERDSA-N -1 1 382.472 1.378 20 0 GDADMM CC1(C)C[C@H]1C(=O)N1C[C@@]2(C)CN(c3nccnc3-c3nn[n-]n3)C[C@@]2(C)C1 ZINC001571212967 953091244 /nfs/dbraw/zinc/09/12/44/953091244.db2.gz ONCKUNPSFPTEEE-YXKWSERDSA-N -1 1 382.472 1.378 20 0 GDADMM CC1CC(C(=O)N2CCC3(CCN(c4nccnc4-c4nnn[n-]4)C3)CC2)C1 ZINC001571214025 953098681 /nfs/dbraw/zinc/09/86/81/953098681.db2.gz VIKHGWIPBXUYKW-UHFFFAOYSA-N -1 1 382.472 1.522 20 0 GDADMM CC1CC(C(=O)N2CCC3(CCN(c4nccnc4-c4nn[n-]n4)C3)CC2)C1 ZINC001571214025 953098685 /nfs/dbraw/zinc/09/86/85/953098685.db2.gz VIKHGWIPBXUYKW-UHFFFAOYSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)C[C@@H]1C(=O)NC1(C2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CC1 ZINC001571214081 953099559 /nfs/dbraw/zinc/09/95/59/953099559.db2.gz WIMSZFATYZFLBR-CYBMUJFWSA-N -1 1 382.472 1.568 20 0 GDADMM CC1(C)C[C@@H]1C(=O)NC1(C2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CC1 ZINC001571214081 953099561 /nfs/dbraw/zinc/09/95/61/953099561.db2.gz WIMSZFATYZFLBR-CYBMUJFWSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@]12CN(C(=O)CC3CCC3)C[C@]1(C)CN(c1nccnc1-c1nnn[n-]1)C2 ZINC001571214337 953101657 /nfs/dbraw/zinc/10/16/57/953101657.db2.gz XPLFWMQFQXHCOS-KDURUIRLSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@]12CN(C(=O)CC3CCC3)C[C@]1(C)CN(c1nccnc1-c1nn[n-]n1)C2 ZINC001571214337 953101659 /nfs/dbraw/zinc/10/16/59/953101659.db2.gz XPLFWMQFQXHCOS-KDURUIRLSA-N -1 1 382.472 1.522 20 0 GDADMM CCC[C@@H]1C[C@H]1C(=O)N1CC[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571214316 953101969 /nfs/dbraw/zinc/10/19/69/953101969.db2.gz XBFVAXIRVBEHED-PJIJBLCYSA-N -1 1 382.472 1.522 20 0 GDADMM CCC[C@@H]1C[C@H]1C(=O)N1CC[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571214316 953101975 /nfs/dbraw/zinc/10/19/75/953101975.db2.gz XBFVAXIRVBEHED-PJIJBLCYSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H]1CN(C(=O)C(C2CC2)C2CC2)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571214452 953102485 /nfs/dbraw/zinc/10/24/85/953102485.db2.gz YSYCOAQEHUMGJB-SMDDNHRTSA-N -1 1 382.472 1.164 20 0 GDADMM CCC1(C(=O)N2C[C@@H]3CCC[C@@H](Nc4cncc(-c5nnn[n-]5)n4)[C@@H]3C2)CC1 ZINC001571214484 953102660 /nfs/dbraw/zinc/10/26/60/953102660.db2.gz ZWXBUTFNOGWEGE-BFHYXJOUSA-N -1 1 382.472 1.886 20 0 GDADMM CCC1(C(=O)N2C[C@@H]3CCC[C@@H](Nc4cncc(-c5nn[n-]n5)n4)[C@@H]3C2)CC1 ZINC001571214484 953102662 /nfs/dbraw/zinc/10/26/62/953102662.db2.gz ZWXBUTFNOGWEGE-BFHYXJOUSA-N -1 1 382.472 1.886 20 0 GDADMM O=C([C@H]1CC2CCC1CC2)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571216895 953104759 /nfs/dbraw/zinc/10/47/59/953104759.db2.gz BRUSIOQFTYPNFZ-PIMMBPRGSA-N -1 1 382.472 1.886 20 0 GDADMM O=C([C@H]1CC2CCC1CC2)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571216895 953104761 /nfs/dbraw/zinc/10/47/61/953104761.db2.gz BRUSIOQFTYPNFZ-PIMMBPRGSA-N -1 1 382.472 1.886 20 0 GDADMM COc1ncc(NC(=O)C[C@H]2C(=O)Nc3c2cccc3F)cc1-c1nn[n-]n1 ZINC001571217248 953106418 /nfs/dbraw/zinc/10/64/18/953106418.db2.gz DBJMEDCZIFAJJV-SNVBAGLBSA-N -1 1 383.343 1.474 20 0 GDADMM O=C([C@H]1CC2CCC1CC2)N1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571218015 953112096 /nfs/dbraw/zinc/11/20/96/953112096.db2.gz KLLBWQYXHQWXFQ-WUCCLRPBSA-N -1 1 382.472 1.886 20 0 GDADMM O=C([C@H]1CC2CCC1CC2)N1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571218015 953112099 /nfs/dbraw/zinc/11/20/99/953112099.db2.gz KLLBWQYXHQWXFQ-WUCCLRPBSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(C)CN(C(=O)c2ccncc2F)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571218240 953114207 /nfs/dbraw/zinc/11/42/07/953114207.db2.gz TURKQZUSHUQZIL-CYBMUJFWSA-N -1 1 383.391 1.154 20 0 GDADMM CC1(C)CN(C(=O)c2ccncc2F)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571218240 953114211 /nfs/dbraw/zinc/11/42/11/953114211.db2.gz TURKQZUSHUQZIL-CYBMUJFWSA-N -1 1 383.391 1.154 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2cccc(F)c2-c2nn[nH]n2)C1)c1ncccc1[O-] ZINC001571218674 953117818 /nfs/dbraw/zinc/11/78/18/953117818.db2.gz YHHLSVKMFHKNSI-PHIMTYICSA-N -1 1 383.387 1.727 20 0 GDADMM O=C(N[C@]12CCC[C@@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2)C1CCCCC1 ZINC001571218827 953119487 /nfs/dbraw/zinc/11/94/87/953119487.db2.gz RSKUDOFXKAFJJB-LIRRHRJNSA-N -1 1 382.472 1.855 20 0 GDADMM CCc1cc(C(=O)N[C@H]2CCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)no1 ZINC001571223193 953142465 /nfs/dbraw/zinc/14/24/65/953142465.db2.gz PKTRZBMAPRMABN-PWSUYJOCSA-N -1 1 383.416 1.218 20 0 GDADMM CCc1cc(C(=O)N[C@H]2CCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)no1 ZINC001571223193 953142467 /nfs/dbraw/zinc/14/24/67/953142467.db2.gz PKTRZBMAPRMABN-PWSUYJOCSA-N -1 1 383.416 1.218 20 0 GDADMM Cc1cnoc1C(=O)N1CCCC[C@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001571225586 953152627 /nfs/dbraw/zinc/15/26/27/953152627.db2.gz KRGJETBGYUEUKZ-LBPRGKRZSA-N -1 1 383.416 1.084 20 0 GDADMM Cc1cnoc1C(=O)N1CCCC[C@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001571225586 953152629 /nfs/dbraw/zinc/15/26/29/953152629.db2.gz KRGJETBGYUEUKZ-LBPRGKRZSA-N -1 1 383.416 1.084 20 0 GDADMM Cc1noc(C)c1C(=O)N[C@H]1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571225300 953152835 /nfs/dbraw/zinc/15/28/35/953152835.db2.gz JKDHXEINZKAPLE-RYUDHWBXSA-N -1 1 383.416 1.272 20 0 GDADMM Cc1noc(C)c1C(=O)N[C@H]1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571225300 953152837 /nfs/dbraw/zinc/15/28/37/953152837.db2.gz JKDHXEINZKAPLE-RYUDHWBXSA-N -1 1 383.416 1.272 20 0 GDADMM Cc1noc(C)c1C(=O)N1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1 ZINC001571226479 953156030 /nfs/dbraw/zinc/15/60/30/953156030.db2.gz RTEIPBUNZYIMRY-LBPRGKRZSA-N -1 1 383.416 1.224 20 0 GDADMM Cc1noc(C)c1C(=O)N1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C1 ZINC001571226479 953156031 /nfs/dbraw/zinc/15/60/31/953156031.db2.gz RTEIPBUNZYIMRY-LBPRGKRZSA-N -1 1 383.416 1.224 20 0 GDADMM O=C(NC[C@H]1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)CC1)c1ccon1 ZINC001571227958 953160743 /nfs/dbraw/zinc/16/07/43/953160743.db2.gz FHYPBYLXGMLZTG-HAQNSBGRSA-N -1 1 383.416 1.293 20 0 GDADMM O=C(NC[C@H]1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)CC1)c1ccon1 ZINC001571227958 953160745 /nfs/dbraw/zinc/16/07/45/953160745.db2.gz FHYPBYLXGMLZTG-HAQNSBGRSA-N -1 1 383.416 1.293 20 0 GDADMM Cc1nsc(N2CCC[C@H]2CNC(=O)[C@@H]2CCC2(F)F)c1-c1nn[n-]n1 ZINC001571230048 953173934 /nfs/dbraw/zinc/17/39/34/953173934.db2.gz RMBDDKPWACUMMY-UWVGGRQHSA-N -1 1 383.428 1.762 20 0 GDADMM C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571234708 953204355 /nfs/dbraw/zinc/20/43/55/953204355.db2.gz GJEMAPYXDLGMQS-RBXMUDONSA-N -1 1 383.865 1.461 20 0 GDADMM C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571234708 953204358 /nfs/dbraw/zinc/20/43/58/953204358.db2.gz GJEMAPYXDLGMQS-RBXMUDONSA-N -1 1 383.865 1.461 20 0 GDADMM O=C(C[C@H]1CCOC1)N[C@H]1C[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571235322 953211666 /nfs/dbraw/zinc/21/16/66/953211666.db2.gz ZXPDTBBBHZKMEB-HLTSFMKQSA-N -1 1 383.865 1.462 20 0 GDADMM COc1ccccc1N1CC[C@@H](NC(=O)c2ccsc2-c2nnn[n-]2)C1=O ZINC001571241572 953247623 /nfs/dbraw/zinc/24/76/23/953247623.db2.gz DTHUKHHBHIFHQO-LLVKDONJSA-N -1 1 384.421 1.472 20 0 GDADMM COc1ccccc1N1CC[C@@H](NC(=O)c2ccsc2-c2nn[n-]n2)C1=O ZINC001571241572 953247627 /nfs/dbraw/zinc/24/76/27/953247627.db2.gz DTHUKHHBHIFHQO-LLVKDONJSA-N -1 1 384.421 1.472 20 0 GDADMM O=C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)[C@H](c2ccccc2)C1 ZINC001571242177 953253799 /nfs/dbraw/zinc/25/37/99/953253799.db2.gz WHIQEXWCBZOAJE-INIZCTEOSA-N -1 1 384.421 1.357 20 0 GDADMM O=C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)[C@H](c2ccccc2)C1 ZINC001571242177 953253802 /nfs/dbraw/zinc/25/38/02/953253802.db2.gz WHIQEXWCBZOAJE-INIZCTEOSA-N -1 1 384.421 1.357 20 0 GDADMM C[C@@H]1CN(C(=O)C2=COCCC2)CC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571242837 953260063 /nfs/dbraw/zinc/26/00/63/953260063.db2.gz PEGZSRNFACWASR-CHWSQXEVSA-N -1 1 384.444 1.248 20 0 GDADMM C[C@@H]1CN(C(=O)C2=COCCC2)CC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571242837 953260068 /nfs/dbraw/zinc/26/00/68/953260068.db2.gz PEGZSRNFACWASR-CHWSQXEVSA-N -1 1 384.444 1.248 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@H]2CCCN(C(=O)c3ccsc3)C2)n1 ZINC001571244664 953265784 /nfs/dbraw/zinc/26/57/84/953265784.db2.gz DFMCKPBNVUABQD-ZDUSSCGKSA-N -1 1 384.469 1.768 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@H]2CCCN(C(=O)c3ccsc3)C2)n1 ZINC001571244664 953265786 /nfs/dbraw/zinc/26/57/86/953265786.db2.gz DFMCKPBNVUABQD-ZDUSSCGKSA-N -1 1 384.469 1.768 20 0 GDADMM Cc1ccsc1C(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571244708 953266502 /nfs/dbraw/zinc/26/65/02/953266502.db2.gz FVDVQVPWBAIMNY-VXGBXAGGSA-N -1 1 384.469 1.602 20 0 GDADMM CCc1sc(C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)cc1C ZINC001571245028 953269887 /nfs/dbraw/zinc/26/98/87/953269887.db2.gz MHWWDTLYXNZGSW-LLVKDONJSA-N -1 1 384.469 1.598 20 0 GDADMM CCc1sc(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)cc1C ZINC001571245028 953269893 /nfs/dbraw/zinc/26/98/93/953269893.db2.gz MHWWDTLYXNZGSW-LLVKDONJSA-N -1 1 384.469 1.598 20 0 GDADMM O=C(Cc1ccsc1)N[C@H]1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571248751 953297035 /nfs/dbraw/zinc/29/70/35/953297035.db2.gz ZDKYBRNZKBETQF-YPMHNXCESA-N -1 1 384.469 1.080 20 0 GDADMM C[C@@H]1CCCN(C(=O)CCC2CCC2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571249140 953301567 /nfs/dbraw/zinc/30/15/67/953301567.db2.gz DTYWAQOMCPGUTA-HIFRSBDPSA-N -1 1 384.488 1.698 20 0 GDADMM C[C@@H](CC1CCCCC1)C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571249133 953301800 /nfs/dbraw/zinc/30/18/00/953301800.db2.gz DQVPUKURKKGPMT-DZGCQCFKSA-N -1 1 384.488 1.698 20 0 GDADMM CC(C)(C)C(=O)N1CCCC[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571249725 953306794 /nfs/dbraw/zinc/30/67/94/953306794.db2.gz LAMJZSCAHUAYIS-IBGZPJMESA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)(C)C(=O)N1CCCC[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571249725 953306798 /nfs/dbraw/zinc/30/67/98/953306798.db2.gz LAMJZSCAHUAYIS-IBGZPJMESA-N -1 1 384.488 1.912 20 0 GDADMM C[C@@H]1CCCC[C@H]1C(=O)NC1(C)CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571250004 953307692 /nfs/dbraw/zinc/30/76/92/953307692.db2.gz NEFNNUKCIWDUJM-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1CCCC[C@H]1C(=O)NC1(C)CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571250004 953307697 /nfs/dbraw/zinc/30/76/97/953307697.db2.gz NEFNNUKCIWDUJM-ZIAGYGMSSA-N -1 1 384.488 1.958 20 0 GDADMM CCC[C@@H]1C[C@H]1C(=O)N1CCC[C@H](N(C)c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571251395 953316989 /nfs/dbraw/zinc/31/69/89/953316989.db2.gz XBKLNZPXPDJYBX-QLFBSQMISA-N -1 1 384.488 1.829 20 0 GDADMM CCC[C@@H]1C[C@H]1C(=O)N1CCC[C@H](N(C)c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571251395 953316991 /nfs/dbraw/zinc/31/69/91/953316991.db2.gz XBKLNZPXPDJYBX-QLFBSQMISA-N -1 1 384.488 1.829 20 0 GDADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@@H]1CCN(C(=O)C2CC(C(C)(C)C)C2)C1 ZINC001571252126 953323680 /nfs/dbraw/zinc/32/36/80/953323680.db2.gz ICWQAMNQESTYJJ-JXQTWKCFSA-N -1 1 384.488 1.766 20 0 GDADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)C2CC(C(C)(C)C)C2)C1 ZINC001571252126 953323685 /nfs/dbraw/zinc/32/36/85/953323685.db2.gz ICWQAMNQESTYJJ-JXQTWKCFSA-N -1 1 384.488 1.766 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)CCC2CCN(C(=O)[C@H]3C[C@@H]3C)CC2)n1 ZINC001571252278 953326091 /nfs/dbraw/zinc/32/60/91/953326091.db2.gz JOCPCDHVBVCSPJ-WFASDCNBSA-N -1 1 384.488 1.686 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)CCC2CCN(C(=O)[C@H]3C[C@@H]3C)CC2)n1 ZINC001571252278 953326098 /nfs/dbraw/zinc/32/60/98/953326098.db2.gz JOCPCDHVBVCSPJ-WFASDCNBSA-N -1 1 384.488 1.686 20 0 GDADMM C[C@@H](NC(=O)[C@@H]1CCC1(C)C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571252290 953326232 /nfs/dbraw/zinc/32/62/32/953326232.db2.gz JVMPVQKJSRLWBF-OCCSQVGLSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](NC(=O)[C@@H]1CCC1(C)C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571252290 953326237 /nfs/dbraw/zinc/32/62/37/953326237.db2.gz JVMPVQKJSRLWBF-OCCSQVGLSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](NC(=O)C1CCCCC1)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571252536 953329307 /nfs/dbraw/zinc/32/93/07/953329307.db2.gz PBGBCXUCQCUMQD-ZDUSSCGKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](NC(=O)C1CCCCC1)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571252536 953329310 /nfs/dbraw/zinc/32/93/10/953329310.db2.gz PBGBCXUCQCUMQD-ZDUSSCGKSA-N -1 1 384.488 1.958 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)[C@@H]1CCCC1(C)C)c1cncc(-c2nnn[n-]2)n1 ZINC001571252546 953329938 /nfs/dbraw/zinc/32/99/38/953329938.db2.gz PKQHYZRKTVIZFJ-KGLIPLIRSA-N -1 1 384.488 1.910 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)[C@@H]1CCCC1(C)C)c1cncc(-c2nn[n-]n2)n1 ZINC001571252546 953329942 /nfs/dbraw/zinc/32/99/42/953329942.db2.gz PKQHYZRKTVIZFJ-KGLIPLIRSA-N -1 1 384.488 1.910 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N(C)[C@H]2CCCN(C(=O)[C@@H]3C[C@H]3CC)C2)n1 ZINC001571252600 953330569 /nfs/dbraw/zinc/33/05/69/953330569.db2.gz QVEXUNQUGMVWBZ-HZSPNIEDSA-N -1 1 384.488 1.692 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N(C)[C@H]2CCCN(C(=O)[C@@H]3C[C@H]3CC)C2)n1 ZINC001571252600 953330572 /nfs/dbraw/zinc/33/05/72/953330572.db2.gz QVEXUNQUGMVWBZ-HZSPNIEDSA-N -1 1 384.488 1.692 20 0 GDADMM CCc1nc(N[C@@H]2CN(C(=O)C[C@@H](C)C3CC3)C[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571252765 953332690 /nfs/dbraw/zinc/33/26/90/953332690.db2.gz VXRZXXRMHREGME-LALPHHSUSA-N -1 1 384.488 1.914 20 0 GDADMM CCc1nc(N[C@@H]2CN(C(=O)C[C@@H](C)C3CC3)C[C@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571252765 953332694 /nfs/dbraw/zinc/33/26/94/953332694.db2.gz VXRZXXRMHREGME-LALPHHSUSA-N -1 1 384.488 1.914 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@H](NC(=O)CC3CCCC3)C2)n1 ZINC001571252916 953333804 /nfs/dbraw/zinc/33/38/04/953333804.db2.gz YYVJGONBCAZSMQ-AWEZNQCLSA-N -1 1 384.488 1.884 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@H](NC(=O)CC3CCCC3)C2)n1 ZINC001571252916 953333806 /nfs/dbraw/zinc/33/38/06/953333806.db2.gz YYVJGONBCAZSMQ-AWEZNQCLSA-N -1 1 384.488 1.884 20 0 GDADMM Cc1cc(Cl)ccc1C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571255061 953344879 /nfs/dbraw/zinc/34/48/79/953344879.db2.gz HDRLIXONYGYLLK-GFCCVEGCSA-N -1 1 384.831 1.945 20 0 GDADMM Cc1cc(Cl)ccc1C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571255061 953344882 /nfs/dbraw/zinc/34/48/82/953344882.db2.gz HDRLIXONYGYLLK-GFCCVEGCSA-N -1 1 384.831 1.945 20 0 GDADMM CCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)c2cc(F)c[nH]2)CC1 ZINC001571255239 953347367 /nfs/dbraw/zinc/34/73/67/953347367.db2.gz NEQQVLJOIIGKIA-UHFFFAOYSA-N -1 1 385.407 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GDADMM CC[C@@H]1[C@@H](C)CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ccccn1 ZINC000349452703 532287408 /nfs/dbraw/zinc/28/74/08/532287408.db2.gz DGHWSBNWMNSMDR-UONOGXRCSA-N -1 1 375.516 1.664 20 0 GDADMM C[C@@]1(F)CCN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC(F)F)C1 ZINC000349452877 532287555 /nfs/dbraw/zinc/28/75/55/532287555.db2.gz OMXABPIWMRCNHU-CYBMUJFWSA-N -1 1 386.417 1.353 20 0 GDADMM Cc1cc(C)nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCC=C(C)C2)c1 ZINC000349455582 532289079 /nfs/dbraw/zinc/28/90/79/532289079.db2.gz HVXOVBRLYJAZNH-UHFFFAOYSA-N -1 1 387.527 1.812 20 0 GDADMM C[C@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCCO1)C(C)(F)F ZINC000349459735 532292136 /nfs/dbraw/zinc/29/21/36/532292136.db2.gz VSSQUZBDFIDEIQ-NSHDSACASA-N -1 1 398.453 1.725 20 0 GDADMM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC3COC3)cc2)c1 ZINC000275401082 532293467 /nfs/dbraw/zinc/29/34/67/532293467.db2.gz BHBFHMMCXDJYNO-UHFFFAOYSA-N -1 1 383.447 1.669 20 0 GDADMM COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@@]2(C)CCO[C@H]2C2CC2)c1F ZINC000378654507 532293966 /nfs/dbraw/zinc/29/39/66/532293966.db2.gz VYQXENONYDEDBV-HOCLYGCPSA-N -1 1 375.393 1.987 20 0 GDADMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000390914721 532298289 /nfs/dbraw/zinc/29/82/89/532298289.db2.gz DJUUXYWQHHJGJV-UHFFFAOYSA-N -1 1 376.437 1.203 20 0 GDADMM CS(=O)(=O)N1CCC[C@H](NC(=O)c2ccc(Br)c([O-])c2)C1 ZINC000400230937 532304082 /nfs/dbraw/zinc/30/40/82/532304082.db2.gz RSPQPMSZNPLOMH-JTQLQIEISA-N -1 1 377.260 1.309 20 0 GDADMM CO[C@@]1(CO)CCCN(C(=O)c2cc(I)ccc2[O-])C1 ZINC000401696238 532304462 /nfs/dbraw/zinc/30/44/62/532304462.db2.gz KSEUIXRYLMMKHX-AWEZNQCLSA-N -1 1 391.205 1.610 20 0 GDADMM O=C(NCC[C@@]1(O)CCOC1)c1ccc(I)c([O-])c1 ZINC000403132084 532305519 /nfs/dbraw/zinc/30/55/19/532305519.db2.gz RJCUXRYBINRQKW-CYBMUJFWSA-N -1 1 377.178 1.268 20 0 GDADMM COC(=O)[C@H](c1cccc(Br)c1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000289454505 532325068 /nfs/dbraw/zinc/32/50/68/532325068.db2.gz PKCNVIMQODMLDL-YPMHNXCESA-N -1 1 395.257 1.954 20 0 GDADMM C[C@H](Cn1cncn1)NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000289471889 532325441 /nfs/dbraw/zinc/32/54/41/532325441.db2.gz JBKOVBVUQVVICT-SECBINFHSA-N -1 1 392.268 1.068 20 0 GDADMM CCOCc1nc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)no1 ZINC000289484159 532326011 /nfs/dbraw/zinc/32/60/11/532326011.db2.gz IMJGMYDYJGZCEY-QMMMGPOBSA-N -1 1 388.833 1.398 20 0 GDADMM CCO[C@H]1C[C@@]([N-]S(=O)(=O)c2cn(C)c(Cl)n2)(C(=O)OC)C1(C)C ZINC000275988571 532317045 /nfs/dbraw/zinc/31/70/45/532317045.db2.gz PUTCAIMRFVFFKH-LKFCYVNXSA-N -1 1 379.866 1.099 20 0 GDADMM CCOC(=O)[C@H]([N-]S(=O)(=O)CC(C)(C)OC)c1ccc(OC)c(F)c1 ZINC000289864132 532333333 /nfs/dbraw/zinc/33/33/33/532333333.db2.gz NGZONBABXZBHSK-CQSZACIVSA-N -1 1 377.434 1.783 20 0 GDADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(O)(c3ccccc3C)CC2)o1 ZINC000359871279 212120941 /nfs/dbraw/zinc/12/09/41/212120941.db2.gz NYFJXRDSTMOINJ-UHFFFAOYSA-N -1 1 378.450 1.620 20 0 GDADMM CCn1nccc1N1CCC[C@H]([N-]S(=O)(=O)Cc2c(F)cccc2F)C1=O ZINC000189161925 570740029 /nfs/dbraw/zinc/74/00/29/570740029.db2.gz IHBXDQANAPYYNS-HNNXBMFYSA-N -1 1 398.435 1.796 20 0 GDADMM CO[C@@H](CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1)C(F)(F)F ZINC000736961715 598823150 /nfs/dbraw/zinc/82/31/50/598823150.db2.gz LLUXEDLFLWCXBF-VIFPVBQESA-N -1 1 384.318 1.866 20 0 GDADMM CO[C@@H](CNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1)C(F)(F)F ZINC000736961715 598823151 /nfs/dbraw/zinc/82/31/51/598823151.db2.gz LLUXEDLFLWCXBF-VIFPVBQESA-N -1 1 384.318 1.866 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCCC(=O)Nc2ccccc2)cc1-c1nn[n-]n1 ZINC000737186489 598841817 /nfs/dbraw/zinc/84/18/17/598841817.db2.gz IFMVCKYKWQUHJH-UHFFFAOYSA-N -1 1 399.436 1.448 20 0 GDADMM Cc1oc(NC(=O)COC(=O)CCc2cscn2)c(-c2nn[n-]n2)c1C ZINC000737553448 598846429 /nfs/dbraw/zinc/84/64/29/598846429.db2.gz WDVYPFVCSNCWBQ-UHFFFAOYSA-N -1 1 376.398 1.648 20 0 GDADMM COC(=O)Cc1ccccc1OS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736930868 598875947 /nfs/dbraw/zinc/87/59/47/598875947.db2.gz MYEBAAXYASPWJH-UHFFFAOYSA-N -1 1 392.368 1.489 20 0 GDADMM CN(C)C(=O)CNC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000736746489 598889382 /nfs/dbraw/zinc/88/93/82/598889382.db2.gz JHHSQTKXFGCGFA-UHFFFAOYSA-N -1 1 385.453 1.483 20 0 GDADMM O=C(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)N1CCNC(=O)CC1 ZINC000738303123 598907612 /nfs/dbraw/zinc/90/76/12/598907612.db2.gz DMPDDHGOIOFMFJ-UHFFFAOYSA-N -1 1 397.464 1.627 20 0 GDADMM O=C(c1ccsc1)N1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000738291337 598960817 /nfs/dbraw/zinc/96/08/17/598960817.db2.gz WQHZCPQKTGIMEZ-UHFFFAOYSA-N -1 1 392.448 1.834 20 0 GDADMM O=C(c1ccsc1)N1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000738291337 598960819 /nfs/dbraw/zinc/96/08/19/598960819.db2.gz WQHZCPQKTGIMEZ-UHFFFAOYSA-N -1 1 392.448 1.834 20 0 GDADMM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cccc1-c1nn[nH]n1 ZINC000822129086 607255239 /nfs/dbraw/zinc/25/52/39/607255239.db2.gz HOKQKNNNXMEGNZ-UHFFFAOYSA-N -1 1 386.393 1.307 20 0 GDADMM CCOc1ncnc2c1CN(c1c3ccccc3nnc1-c1nnn[n-]1)CC2 ZINC000736655267 598963568 /nfs/dbraw/zinc/96/35/68/598963568.db2.gz AAGGEOQXFSXASM-UHFFFAOYSA-N -1 1 375.396 1.561 20 0 GDADMM CCOc1ncnc2c1CN(c1c3ccccc3nnc1-c1nn[n-]n1)CC2 ZINC000736655267 598963570 /nfs/dbraw/zinc/96/35/70/598963570.db2.gz AAGGEOQXFSXASM-UHFFFAOYSA-N -1 1 375.396 1.561 20 0 GDADMM COc1cc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)ccc1OC(F)F ZINC000737044654 598985086 /nfs/dbraw/zinc/98/50/86/598985086.db2.gz BPPJCJMDSBOCNF-UHFFFAOYSA-N -1 1 376.323 1.802 20 0 GDADMM COc1cc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)ccc1OC(F)F ZINC000737044654 598985088 /nfs/dbraw/zinc/98/50/88/598985088.db2.gz BPPJCJMDSBOCNF-UHFFFAOYSA-N -1 1 376.323 1.802 20 0 GDADMM O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738174388 598987160 /nfs/dbraw/zinc/98/71/60/598987160.db2.gz QWRMPZUBCNJUNM-UHFFFAOYSA-N -1 1 385.409 1.054 20 0 GDADMM O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738174388 598987162 /nfs/dbraw/zinc/98/71/62/598987162.db2.gz QWRMPZUBCNJUNM-UHFFFAOYSA-N -1 1 385.409 1.054 20 0 GDADMM COc1ccc(C(C)(C)CNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1OC ZINC000737073413 599004496 /nfs/dbraw/zinc/00/44/96/599004496.db2.gz QHDHMCZTHGBMAM-UHFFFAOYSA-N -1 1 382.424 1.987 20 0 GDADMM COc1ccc(C(C)(C)CNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1OC ZINC000737073413 599004498 /nfs/dbraw/zinc/00/44/98/599004498.db2.gz QHDHMCZTHGBMAM-UHFFFAOYSA-N -1 1 382.424 1.987 20 0 GDADMM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cc(-c4nn[nH]n4)ccc3C)cc21 ZINC000735465844 599018053 /nfs/dbraw/zinc/01/80/53/599018053.db2.gz AJXFLLURGAKRGY-UHFFFAOYSA-N -1 1 398.448 1.885 20 0 GDADMM O=C(NCc1ccnc(OCC(F)(F)F)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738123993 599023551 /nfs/dbraw/zinc/02/35/51/599023551.db2.gz GVIYYVBERFJESN-UHFFFAOYSA-N -1 1 379.302 1.528 20 0 GDADMM O=C(NCc1ccnc(OCC(F)(F)F)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738123993 599023554 /nfs/dbraw/zinc/02/35/54/599023554.db2.gz GVIYYVBERFJESN-UHFFFAOYSA-N -1 1 379.302 1.528 20 0 GDADMM O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738086289 599025830 /nfs/dbraw/zinc/02/58/30/599025830.db2.gz VEGVZHPUNBPNMO-UHFFFAOYSA-N -1 1 392.828 1.119 20 0 GDADMM O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738086289 599025832 /nfs/dbraw/zinc/02/58/32/599025832.db2.gz VEGVZHPUNBPNMO-UHFFFAOYSA-N -1 1 392.828 1.119 20 0 GDADMM CC(C)(C)OC(=O)NC[C@@](C)(NC(=O)c1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC000735635294 599031001 /nfs/dbraw/zinc/03/10/01/599031001.db2.gz BDUSKBZWDWJOIS-GOSISDBHSA-N -1 1 387.444 1.685 20 0 GDADMM CC(C)(C)OC(=O)NC[C@@](C)(NC(=O)c1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC000735635294 599031002 /nfs/dbraw/zinc/03/10/02/599031002.db2.gz BDUSKBZWDWJOIS-GOSISDBHSA-N -1 1 387.444 1.685 20 0 GDADMM CCc1nn(C[C@H](O)COc2ccccc2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705010 599052671 /nfs/dbraw/zinc/05/26/71/599052671.db2.gz BRVBHIINCIRXHQ-ZDUSSCGKSA-N -1 1 384.440 1.297 20 0 GDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000737776347 599054968 /nfs/dbraw/zinc/05/49/68/599054968.db2.gz LFWYJWDDQZWTLR-BDAKNGLRSA-N -1 1 379.302 1.988 20 0 GDADMM C[C@@H](C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1)c1ccco1 ZINC000735525313 599098853 /nfs/dbraw/zinc/09/88/53/599098853.db2.gz LJMQWWUPYMYMBD-LLVKDONJSA-N -1 1 383.412 1.777 20 0 GDADMM CC(C)[C@@H](Cc1ccc(F)cc1)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820020874 599106632 /nfs/dbraw/zinc/10/66/32/599106632.db2.gz LSIGKKADQCWYBT-CYBMUJFWSA-N -1 1 387.419 1.082 20 0 GDADMM CCCCN1C(=O)C2(CCCCC2)N[C@H]1c1cnc2c(-c3nnn[n-]3)cnn2c1 ZINC000821066356 599119172 /nfs/dbraw/zinc/11/91/72/599119172.db2.gz UDEYTEHTTUUDBP-MRXNPFEDSA-N -1 1 395.471 1.843 20 0 GDADMM CCCCN1C(=O)C2(CCCCC2)N[C@H]1c1cnc2c(-c3nn[n-]n3)cnn2c1 ZINC000821066356 599119174 /nfs/dbraw/zinc/11/91/74/599119174.db2.gz UDEYTEHTTUUDBP-MRXNPFEDSA-N -1 1 395.471 1.843 20 0 GDADMM C[C@@H]1[C@H](C)[S@@](=O)CCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000820643166 599345169 /nfs/dbraw/zinc/34/51/69/599345169.db2.gz RCLFUUQMNGKDII-OIFKANJSSA-N -1 1 389.890 1.050 20 0 GDADMM COc1ccc(OC)c(NC(=O)[C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737109668 599138449 /nfs/dbraw/zinc/13/84/49/599138449.db2.gz LPBMUZVHYUJHAI-JTQLQIEISA-N -1 1 398.379 1.463 20 0 GDADMM COc1ccc(OC)c(NC(=O)[C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737109668 599138451 /nfs/dbraw/zinc/13/84/51/599138451.db2.gz LPBMUZVHYUJHAI-JTQLQIEISA-N -1 1 398.379 1.463 20 0 GDADMM Cc1nc(C)c(-c2nn[n-]n2)c(S[C@@H]2CCCN(c3cnn(C)c3)C2=O)n1 ZINC000737471497 599161786 /nfs/dbraw/zinc/16/17/86/599161786.db2.gz RSFYSZQOFKCRJU-GFCCVEGCSA-N -1 1 385.457 1.295 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)Nc1nc(C2CC2)no1 ZINC000737488357 599184032 /nfs/dbraw/zinc/18/40/32/599184032.db2.gz SUXYEMKCUMQMNP-UHFFFAOYSA-N -1 1 394.399 1.358 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)Nc1nc(C2CC2)no1 ZINC000737488357 599184034 /nfs/dbraw/zinc/18/40/34/599184034.db2.gz SUXYEMKCUMQMNP-UHFFFAOYSA-N -1 1 394.399 1.358 20 0 GDADMM O=C(N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823146673 599208032 /nfs/dbraw/zinc/20/80/32/599208032.db2.gz YCWXAMXXJSIUCQ-BFYDXBDKSA-N -1 1 389.419 1.149 20 0 GDADMM O=C(N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823146673 599208035 /nfs/dbraw/zinc/20/80/35/599208035.db2.gz YCWXAMXXJSIUCQ-BFYDXBDKSA-N -1 1 389.419 1.149 20 0 GDADMM COc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1N1CCOC1=O ZINC000821835604 599215675 /nfs/dbraw/zinc/21/56/75/599215675.db2.gz NZIINFQMBOTUOH-UHFFFAOYSA-N -1 1 381.352 1.479 20 0 GDADMM COc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1N1CCOC1=O ZINC000821835604 599215677 /nfs/dbraw/zinc/21/56/77/599215677.db2.gz NZIINFQMBOTUOH-UHFFFAOYSA-N -1 1 381.352 1.479 20 0 GDADMM O=c1c(-c2nn[n-]n2)cn(CCn2cnc3ccccc3c2=O)c2ccccc21 ZINC000738372720 599223671 /nfs/dbraw/zinc/22/36/71/599223671.db2.gz SWQGUFKZGCPHOB-UHFFFAOYSA-N -1 1 385.387 1.592 20 0 GDADMM C[C@@H](O)C[C@@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000820475317 607259732 /nfs/dbraw/zinc/25/97/32/607259732.db2.gz ZYHCZWMOCBLJSQ-OCCSQVGLSA-N -1 1 388.453 1.095 20 0 GDADMM C[C@@H](O)C[C@@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000820475317 607259733 /nfs/dbraw/zinc/25/97/33/607259733.db2.gz ZYHCZWMOCBLJSQ-OCCSQVGLSA-N -1 1 388.453 1.095 20 0 GDADMM C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CCC(C(=O)[O-])CC1 ZINC000738641054 596924643 /nfs/dbraw/zinc/92/46/43/596924643.db2.gz WVRVDCKLJOQINI-LBPRGKRZSA-N -1 1 383.470 1.061 20 0 GDADMM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)[C@@H](c2ccccc2)CO1 ZINC000820767658 599234868 /nfs/dbraw/zinc/23/48/68/599234868.db2.gz JKDZALLNHRDEKH-BLLLJJGKSA-N -1 1 386.437 1.412 20 0 GDADMM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H](c2ccccc2)CO1 ZINC000820767658 599234870 /nfs/dbraw/zinc/23/48/70/599234870.db2.gz JKDZALLNHRDEKH-BLLLJJGKSA-N -1 1 386.437 1.412 20 0 GDADMM CCN1CCN(c2ccc(CNC(=O)N3CCC[C@@H](CC(=O)[O-])C3)cn2)CC1 ZINC000818208175 597057413 /nfs/dbraw/zinc/05/74/13/597057413.db2.gz XVMREKWIAZGMQP-INIZCTEOSA-N -1 1 389.500 1.620 20 0 GDADMM CN1CCN(C[C@H](NC(=O)N2CCC[C@H](CC(=O)[O-])C2)c2ccccc2)CC1 ZINC000818482126 597064140 /nfs/dbraw/zinc/06/41/40/597064140.db2.gz GKXXOENNIBYLLL-MJGOQNOKSA-N -1 1 388.512 1.871 20 0 GDADMM O=C([O-])CCNC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000013360187 597116690 /nfs/dbraw/zinc/11/66/90/597116690.db2.gz YXSSOVCQIVTOFK-UHFFFAOYSA-N -1 1 393.377 1.600 20 0 GDADMM O=C(c1cccc(NCc2ccc(-c3nnn[n-]3)o2)c1)N1CCC[C@@H](CO)C1 ZINC000823493795 607315636 /nfs/dbraw/zinc/31/56/36/607315636.db2.gz WCBQHKPSBLRION-CYBMUJFWSA-N -1 1 382.424 1.916 20 0 GDADMM O=C(c1cccc(NCc2ccc(-c3nn[n-]n3)o2)c1)N1CCC[C@@H](CO)C1 ZINC000823493795 607315637 /nfs/dbraw/zinc/31/56/37/607315637.db2.gz WCBQHKPSBLRION-CYBMUJFWSA-N -1 1 382.424 1.916 20 0 GDADMM COc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1-n1nnnc1C1CC1 ZINC000821835134 607318436 /nfs/dbraw/zinc/31/84/36/607318436.db2.gz FGFDXWKCXQBJPY-UHFFFAOYSA-N -1 1 379.384 1.934 20 0 GDADMM COc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1-n1nnnc1C1CC1 ZINC000821835134 607318437 /nfs/dbraw/zinc/31/84/37/607318437.db2.gz FGFDXWKCXQBJPY-UHFFFAOYSA-N -1 1 379.384 1.934 20 0 GDADMM Cc1cc(C)cc(OCC(=O)N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)c1 ZINC000822197766 607322131 /nfs/dbraw/zinc/32/21/31/607322131.db2.gz OJHLDTNSTNZZCX-UHFFFAOYSA-N -1 1 393.451 1.606 20 0 GDADMM Cc1cc(C)cc(OCC(=O)N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)c1 ZINC000822197766 607322132 /nfs/dbraw/zinc/32/21/32/607322132.db2.gz OJHLDTNSTNZZCX-UHFFFAOYSA-N -1 1 393.451 1.606 20 0 GDADMM CC(C)[C@@H](NCC(=O)Nc1cccc(C(=O)N2CCSCC2)c1)C(=O)[O-] ZINC000820041790 598188554 /nfs/dbraw/zinc/18/85/54/598188554.db2.gz RIRMJNPIEPTDBS-MRXNPFEDSA-N -1 1 379.482 1.513 20 0 GDADMM CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NCc2cccc(C(=O)[O-])c2)c1 ZINC000820645475 598203597 /nfs/dbraw/zinc/20/35/97/598203597.db2.gz ISCUDRHCVVNYKZ-GFCCVEGCSA-N -1 1 391.449 1.410 20 0 GDADMM COc1ccc(CN(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c(OC)c1 ZINC000737090256 598261105 /nfs/dbraw/zinc/26/11/05/598261105.db2.gz DMMWMCRKCBJMNG-UHFFFAOYSA-N -1 1 390.425 1.100 20 0 GDADMM COc1ccc(CN(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c(OC)c1 ZINC000737090256 598261107 /nfs/dbraw/zinc/26/11/07/598261107.db2.gz DMMWMCRKCBJMNG-UHFFFAOYSA-N -1 1 390.425 1.100 20 0 GDADMM O=S(=O)(N[C@@H]1CCSc2ccc(F)cc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000738341118 598263270 /nfs/dbraw/zinc/26/32/70/598263270.db2.gz BIGXXCNPNHILPQ-GFCCVEGCSA-N -1 1 392.441 1.916 20 0 GDADMM O=S(=O)(N[C@@H]1CCSc2ccc(F)cc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000738341118 598263272 /nfs/dbraw/zinc/26/32/72/598263272.db2.gz BIGXXCNPNHILPQ-GFCCVEGCSA-N -1 1 392.441 1.916 20 0 GDADMM O=S(=O)(NCc1cc(-c2ccccc2)no1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738337442 598266172 /nfs/dbraw/zinc/26/61/72/598266172.db2.gz AWVFYKDAVAQEQD-UHFFFAOYSA-N -1 1 383.393 1.395 20 0 GDADMM O=S(=O)(NCc1cc(-c2ccccc2)no1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738337442 598266174 /nfs/dbraw/zinc/26/61/74/598266174.db2.gz AWVFYKDAVAQEQD-UHFFFAOYSA-N -1 1 383.393 1.395 20 0 GDADMM O=S(=O)(NCCc1ccccc1C(F)(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC000738338858 598267678 /nfs/dbraw/zinc/26/76/78/598267678.db2.gz NKHVFJTYTICYRA-UHFFFAOYSA-N -1 1 398.370 1.802 20 0 GDADMM O=S(=O)(NCCc1ccccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC000738338858 598267680 /nfs/dbraw/zinc/26/76/80/598267680.db2.gz NKHVFJTYTICYRA-UHFFFAOYSA-N -1 1 398.370 1.802 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000738353724 598268477 /nfs/dbraw/zinc/26/84/77/598268477.db2.gz FWHCQZFRWIETNU-CQSZACIVSA-N -1 1 388.428 1.797 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000738353724 598268479 /nfs/dbraw/zinc/26/84/79/598268479.db2.gz FWHCQZFRWIETNU-CQSZACIVSA-N -1 1 388.428 1.797 20 0 GDADMM O=S(=O)(N[C@H]1CCOc2c(Cl)cccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344160 598269421 /nfs/dbraw/zinc/26/94/21/598269421.db2.gz WIWRIXHOHVTAAB-LBPRGKRZSA-N -1 1 392.828 1.717 20 0 GDADMM O=S(=O)(N[C@H]1CCOc2c(Cl)cccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000738344160 598269422 /nfs/dbraw/zinc/26/94/22/598269422.db2.gz WIWRIXHOHVTAAB-LBPRGKRZSA-N -1 1 392.828 1.717 20 0 GDADMM O=S(=O)(N[C@@H]1CCOc2c(Cl)cccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344159 598269670 /nfs/dbraw/zinc/26/96/70/598269670.db2.gz WIWRIXHOHVTAAB-GFCCVEGCSA-N -1 1 392.828 1.717 20 0 GDADMM O=S(=O)(N[C@@H]1CCOc2c(Cl)cccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000738344159 598269671 /nfs/dbraw/zinc/26/96/71/598269671.db2.gz WIWRIXHOHVTAAB-GFCCVEGCSA-N -1 1 392.828 1.717 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N(C)CC(=O)OC(C)(C)C)cc1-c1nn[n-]n1 ZINC000737187294 598286630 /nfs/dbraw/zinc/28/66/30/598286630.db2.gz PPOYFRKYHUCBEU-UHFFFAOYSA-N -1 1 380.430 1.103 20 0 GDADMM COc1ccc(NC(=O)Cn2cc(Nc3nccnc3-c3nnn[n-]3)cn2)cc1 ZINC000737105369 598349518 /nfs/dbraw/zinc/34/95/18/598349518.db2.gz YEDALGYXFJMDSR-UHFFFAOYSA-N -1 1 392.383 1.244 20 0 GDADMM COc1ccc(NC(=O)Cn2cc(Nc3nccnc3-c3nn[n-]n3)cn2)cc1 ZINC000737105369 598349521 /nfs/dbraw/zinc/34/95/21/598349521.db2.gz YEDALGYXFJMDSR-UHFFFAOYSA-N -1 1 392.383 1.244 20 0 GDADMM CCCc1cc(=O)n2[n-]c(NC(=O)C=Cc3ccccc3-c3nn[nH]n3)nc2n1 ZINC000736498733 598373927 /nfs/dbraw/zinc/37/39/27/598373927.db2.gz YPQIXTVAFGHDFV-CMDGGOBGSA-N -1 1 391.395 1.202 20 0 GDADMM O=C(COc1ccc(Cl)c2cccnc12)N=c1cc[nH]cc1-c1nn[n-]n1 ZINC000737919170 598379375 /nfs/dbraw/zinc/37/93/75/598379375.db2.gz PEADSFOJAZSFRY-UHFFFAOYSA-N -1 1 381.783 1.903 20 0 GDADMM NC(=O)CCCNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000737744808 598396846 /nfs/dbraw/zinc/39/68/46/598396846.db2.gz BIRKLRPEGPFQQY-UHFFFAOYSA-N -1 1 384.371 1.793 20 0 GDADMM NC(=O)CCCNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000737744808 598396847 /nfs/dbraw/zinc/39/68/47/598396847.db2.gz BIRKLRPEGPFQQY-UHFFFAOYSA-N -1 1 384.371 1.793 20 0 GDADMM CCCCOC(=O)CNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000736460208 598402899 /nfs/dbraw/zinc/40/28/99/598402899.db2.gz DQZLISGSMLZWHQ-UHFFFAOYSA-N -1 1 390.469 1.934 20 0 GDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)Cc1cc(Cl)ccc1Br ZINC000822903415 607357425 /nfs/dbraw/zinc/35/74/25/607357425.db2.gz LBDVYOPHJCOOBQ-UHFFFAOYSA-N -1 1 382.609 1.944 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@@H](C)c2csc(C)n2)cc1-c1nn[n-]n1 ZINC000737188085 598474228 /nfs/dbraw/zinc/47/42/28/598474228.db2.gz YGEMSIXDUGBRBV-LURJTMIESA-N -1 1 377.455 1.945 20 0 GDADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)NCCc1ccc(F)cc1 ZINC000737981103 598503683 /nfs/dbraw/zinc/50/36/83/598503683.db2.gz IOKWTPWQDZOKLO-UHFFFAOYSA-N -1 1 392.394 1.680 20 0 GDADMM CNC(=O)C1(C(=O)Nc2ccc(Oc3ncccc3-c3nn[n-]n3)cc2C)CC1 ZINC000736871245 598506503 /nfs/dbraw/zinc/50/65/03/598506503.db2.gz MQHURQCNMYFETJ-UHFFFAOYSA-N -1 1 393.407 1.827 20 0 GDADMM C[C@@H]1C[C@H]1NC(=O)C(=O)Nc1ccccc1Oc1ncccc1-c1nn[n-]n1 ZINC000736235571 598535439 /nfs/dbraw/zinc/53/54/39/598535439.db2.gz GIFHEOHLFVLLEG-ZWNOBZJWSA-N -1 1 379.380 1.517 20 0 GDADMM Cc1ccc(C2=NC(=Cc3cnc4c(-c5nnn[n-]5)cnn4c3)C(=O)O2)cc1C ZINC000737330129 598566755 /nfs/dbraw/zinc/56/67/55/598566755.db2.gz MIZVAPBLSNQJRK-UUASQNMZSA-N -1 1 386.375 1.871 20 0 GDADMM Cc1ccc(C2=NC(=Cc3cnc4c(-c5nn[n-]n5)cnn4c3)C(=O)O2)cc1C ZINC000737330129 598566757 /nfs/dbraw/zinc/56/67/57/598566757.db2.gz MIZVAPBLSNQJRK-UUASQNMZSA-N -1 1 386.375 1.871 20 0 GDADMM O=C1OC(c2cccc(F)c2)=NC1=Cc1cnc2c(-c3nnn[n-]3)cnn2c1 ZINC000738321730 598567684 /nfs/dbraw/zinc/56/76/84/598567684.db2.gz XJCVGOYGQCBWMD-PQMHYQBVSA-N -1 1 376.311 1.393 20 0 GDADMM O=C1OC(c2cccc(F)c2)=NC1=Cc1cnc2c(-c3nn[n-]n3)cnn2c1 ZINC000738321730 598567685 /nfs/dbraw/zinc/56/76/85/598567685.db2.gz XJCVGOYGQCBWMD-PQMHYQBVSA-N -1 1 376.311 1.393 20 0 GDADMM Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)c1 ZINC000737237605 598594105 /nfs/dbraw/zinc/59/41/05/598594105.db2.gz AOLUPCDKLDDPGH-UHFFFAOYSA-N -1 1 393.356 1.519 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCN1CCOCC1(C)C ZINC000737548909 598613490 /nfs/dbraw/zinc/61/34/90/598613490.db2.gz QLFVFEPBFLWTJO-UHFFFAOYSA-N -1 1 399.455 1.399 20 0 GDADMM CCn1cnnc1CCNC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000736722020 598690107 /nfs/dbraw/zinc/69/01/07/598690107.db2.gz MFNIZDKLKLNIHJ-UHFFFAOYSA-N -1 1 381.400 1.143 20 0 GDADMM CCn1cnnc1CCNC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000736722020 598690108 /nfs/dbraw/zinc/69/01/08/598690108.db2.gz MFNIZDKLKLNIHJ-UHFFFAOYSA-N -1 1 381.400 1.143 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CCC[C@@H](n3ccnc3)C2)cc1-c1nn[n-]n1 ZINC000737186975 598700656 /nfs/dbraw/zinc/70/06/56/598700656.db2.gz MRKUKMGWCQIDSV-SNVBAGLBSA-N -1 1 386.441 1.363 20 0 GDADMM CC[C@@H]1CN(CC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)C[C@H](C)O1 ZINC000736407387 598706401 /nfs/dbraw/zinc/70/64/01/598706401.db2.gz GNGMQIFMQSUFHI-DZGCQCFKSA-N -1 1 396.455 1.490 20 0 GDADMM CC[C@@H]1CN(CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)C[C@H](C)O1 ZINC000736407387 598706402 /nfs/dbraw/zinc/70/64/02/598706402.db2.gz GNGMQIFMQSUFHI-DZGCQCFKSA-N -1 1 396.455 1.490 20 0 GDADMM CCSc1ccc([C@@H](C)Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1 ZINC000736664639 598755780 /nfs/dbraw/zinc/75/57/80/598755780.db2.gz BLXDUFMJRDFZLO-SNVBAGLBSA-N -1 1 387.469 1.549 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCC[S@@](=O)C(C)(C)C ZINC000737200883 598767914 /nfs/dbraw/zinc/76/79/14/598767914.db2.gz NVTGDGALJUXYPL-HHHXNRCGSA-N -1 1 394.501 1.180 20 0 GDADMM Cc1ccccc1[C@H](CC(C)C)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000737424814 598774465 /nfs/dbraw/zinc/77/44/65/598774465.db2.gz XSCYIPSWVRSIIB-AWEZNQCLSA-N -1 1 383.456 1.772 20 0 GDADMM CCOC(=O)[C@H](C)NC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000736585197 598810884 /nfs/dbraw/zinc/81/08/84/598810884.db2.gz ILKMLBRDMKPKAV-QMMMGPOBSA-N -1 1 376.442 1.542 20 0 GDADMM CCc1nn(CCC(=O)NCc2ccc(F)cc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000821518165 599306397 /nfs/dbraw/zinc/30/63/97/599306397.db2.gz PWJIBQRVSVEABP-UHFFFAOYSA-N -1 1 399.430 1.394 20 0 GDADMM C[C@@H](Oc1cccc(Br)c1)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000820536444 599315142 /nfs/dbraw/zinc/31/51/42/599315142.db2.gz UAQAQPCKXFEVNC-SSDOTTSWSA-N -1 1 378.190 1.516 20 0 GDADMM CN(Cc1ccc(Cl)nc1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000821611183 599336060 /nfs/dbraw/zinc/33/60/60/599336060.db2.gz UWRFHUPTQWPPPE-UHFFFAOYSA-N -1 1 382.808 1.875 20 0 GDADMM CN(Cc1ccc(Cl)nc1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000821611183 599336062 /nfs/dbraw/zinc/33/60/62/599336062.db2.gz UWRFHUPTQWPPPE-UHFFFAOYSA-N -1 1 382.808 1.875 20 0 GDADMM CC(C)(C)OC(=O)CCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000819928476 599344044 /nfs/dbraw/zinc/34/40/44/599344044.db2.gz QNCJMEQERKPUTH-UHFFFAOYSA-N -1 1 387.849 1.530 20 0 GDADMM CC(C)(C)OC(=O)CCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000819928476 599344046 /nfs/dbraw/zinc/34/40/46/599344046.db2.gz QNCJMEQERKPUTH-UHFFFAOYSA-N -1 1 387.849 1.530 20 0 GDADMM COc1ccc(O[C@H](C)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000821839690 599367153 /nfs/dbraw/zinc/36/71/53/599367153.db2.gz XFGFMYUQRFKEQQ-LLVKDONJSA-N -1 1 390.425 1.016 20 0 GDADMM COc1ccc(O[C@H](C)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000821839690 599367156 /nfs/dbraw/zinc/36/71/56/599367156.db2.gz XFGFMYUQRFKEQQ-LLVKDONJSA-N -1 1 390.425 1.016 20 0 GDADMM COCCOC(=O)C1=C(C)N(C2CC2)C(=O)N[C@H]1c1ccc(-c2nnn[n-]2)o1 ZINC000821691020 599493137 /nfs/dbraw/zinc/49/31/37/599493137.db2.gz FPAOBNIVLRUYFI-AWEZNQCLSA-N -1 1 388.384 1.152 20 0 GDADMM COCCOC(=O)C1=C(C)N(C2CC2)C(=O)N[C@H]1c1ccc(-c2nn[n-]n2)o1 ZINC000821691020 599493140 /nfs/dbraw/zinc/49/31/40/599493140.db2.gz FPAOBNIVLRUYFI-AWEZNQCLSA-N -1 1 388.384 1.152 20 0 GDADMM CCn1nnnc1-c1cccc([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000736730491 599561781 /nfs/dbraw/zinc/56/17/81/599561781.db2.gz GLEHQEPSUDEZPX-UHFFFAOYSA-N -1 1 397.424 1.341 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)N[C@H]2CCC(=O)N(C)C2)c1-c1nn[n-]n1 ZINC000737189135 599573096 /nfs/dbraw/zinc/57/30/96/599573096.db2.gz JGJMXEHGWRHWMR-JTQLQIEISA-N -1 1 387.469 1.212 20 0 GDADMM O=S(=O)(Oc1ccc(-n2cccn2)cc1)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738339353 599596342 /nfs/dbraw/zinc/59/63/42/599596342.db2.gz LYPYWNKJCZYSOI-UHFFFAOYSA-N -1 1 386.368 1.959 20 0 GDADMM CO[C@]1(C)C[C@H](NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C1(C)C ZINC000821678009 599655119 /nfs/dbraw/zinc/65/51/19/599655119.db2.gz IAIWWNLCTLWAHR-ORAYPTAESA-N -1 1 388.472 1.837 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCC2CCC(C(F)(F)F)CC2)n(C)c1=O ZINC000822601194 599689043 /nfs/dbraw/zinc/68/90/43/599689043.db2.gz VDRXDJWOJDQKEM-UHFFFAOYSA-N -1 1 387.366 1.045 20 0 GDADMM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000736206692 599718473 /nfs/dbraw/zinc/71/84/73/599718473.db2.gz XHWDIQSZWFULGE-ZIAGYGMSSA-N -1 1 383.489 1.545 20 0 GDADMM CN1CCN(C[C@H](NC(=O)c2cccc(OCC(=O)[O-])c2)c2ccccc2)CC1 ZINC000659752864 599746519 /nfs/dbraw/zinc/74/65/19/599746519.db2.gz GRBQRVHWNAVVAY-FQEVSTJZSA-N -1 1 397.475 1.869 20 0 GDADMM C[C@H](NC(=O)CCSCC(=O)[O-])c1cc(F)ccc1N1CCN(C)CC1 ZINC000736640889 599754542 /nfs/dbraw/zinc/75/45/42/599754542.db2.gz OKYLYNOBWNTTEV-ZDUSSCGKSA-N -1 1 383.489 1.963 20 0 GDADMM COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C(=O)[O-])c1 ZINC000485866216 599759142 /nfs/dbraw/zinc/75/91/42/599759142.db2.gz CWYLLXINQCPZNM-NSHDSACASA-N -1 1 378.406 1.699 20 0 GDADMM CC(C)[C@@H](NC(=O)[O-])C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000736373525 599805990 /nfs/dbraw/zinc/80/59/90/599805990.db2.gz CWKDMSWRWJIGMM-CYBMUJFWSA-N -1 1 393.425 1.508 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc3oc(=O)[nH]c3c2)c(C(=O)[O-])s1 ZINC000737679793 599813507 /nfs/dbraw/zinc/81/35/07/599813507.db2.gz DKGMCCIXZJZVJH-UHFFFAOYSA-N -1 1 398.374 1.881 20 0 GDADMM CNC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)OC)sc2C(=O)[O-])cc1 ZINC000737546981 599813872 /nfs/dbraw/zinc/81/38/72/599813872.db2.gz QSEQUDCIFPOLBL-UHFFFAOYSA-N -1 1 398.418 1.393 20 0 GDADMM CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)OCc2occc2C(=O)[O-])c1 ZINC000736165133 599817328 /nfs/dbraw/zinc/81/73/28/599817328.db2.gz KRROJIQDACJECJ-UHFFFAOYSA-N -1 1 396.377 1.665 20 0 GDADMM COc1ccc(CNC(C)=O)cc1S(=O)(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000516333718 599852240 /nfs/dbraw/zinc/85/22/40/599852240.db2.gz NUVBPLOMVSAUDB-UHFFFAOYSA-N -1 1 396.396 1.969 20 0 GDADMM Cc1cc(NC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)ccc1C(=O)[O-] ZINC000535617249 599949831 /nfs/dbraw/zinc/94/98/31/599949831.db2.gz NWIAKVJJMYXHGC-UHFFFAOYSA-N -1 1 379.372 1.903 20 0 GDADMM CC[C@H](C)[C@@H](NC(=O)CN(C)[C@@H]1CCCN(c2ccc(C)nn2)C1)C(=O)[O-] ZINC000736878128 599956783 /nfs/dbraw/zinc/95/67/83/599956783.db2.gz LSDINSZMLRXVHO-JCKWVBRZSA-N -1 1 377.489 1.301 20 0 GDADMM COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)N(C)CCN2CCCC2)c1OC ZINC000737870597 599985984 /nfs/dbraw/zinc/98/59/84/599985984.db2.gz FYGBCMQPOABNDG-VOTSOKGWSA-N -1 1 398.481 1.518 20 0 GDADMM O=C([O-])[C@@H]1CN(C(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)CCO1 ZINC000738546761 600035190 /nfs/dbraw/zinc/03/51/90/600035190.db2.gz OAUGTCWIRLTWLF-HOTGVXAUSA-N -1 1 381.860 1.972 20 0 GDADMM COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000737687678 600035808 /nfs/dbraw/zinc/03/58/08/600035808.db2.gz HFAQDUKIOMHLME-CYBMUJFWSA-N -1 1 382.438 1.030 20 0 GDADMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1nc(CN2CCOCC2)cs1 ZINC000738347225 600053681 /nfs/dbraw/zinc/05/36/81/600053681.db2.gz GXUWLUIXBLYXJR-UHFFFAOYSA-N -1 1 397.478 1.783 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CCN(C[C@@H](O)COc2ccc(C(=O)[O-])cc2)C1 ZINC000736281382 600092438 /nfs/dbraw/zinc/09/24/38/600092438.db2.gz MNNDRWFMMWGUIO-HUUCEWRRSA-N -1 1 380.441 1.724 20 0 GDADMM CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000736483688 600137652 /nfs/dbraw/zinc/13/76/52/600137652.db2.gz LUQKYXNMNHIFQS-ZIAGYGMSSA-N -1 1 397.497 1.497 20 0 GDADMM C[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N1CCC[C@@H](C(=O)[O-])C1 ZINC000262704041 600138914 /nfs/dbraw/zinc/13/89/14/600138914.db2.gz ZXPMMUGIDWPLKG-VHSXEESVSA-N -1 1 387.358 1.344 20 0 GDADMM COc1ccc2c(c1)[nH]cc(C(=O)NC[C@@H](Cc1ccc(O)cc1)C(=O)[O-])c2=O ZINC000738071931 600179706 /nfs/dbraw/zinc/17/97/06/600179706.db2.gz DCKICHNZAQALBE-CYBMUJFWSA-N -1 1 396.399 1.916 20 0 GDADMM CN(C(=O)CCNC(=O)c1n[nH]c2ccccc21)[C@H](C(=O)[O-])c1ccccc1 ZINC000737320450 600193015 /nfs/dbraw/zinc/19/30/15/600193015.db2.gz ZQADZZJLSWQNHY-SFHVURJKSA-N -1 1 380.404 1.967 20 0 GDADMM Cc1[nH]c(C(=O)[C@@H](C)N2CCN(CC3CCOCC3)CC2)c(C)c1C(=O)[O-] ZINC000738237513 600217701 /nfs/dbraw/zinc/21/77/01/600217701.db2.gz VFXVLQVDTJUHIT-OAHLLOKOSA-N -1 1 377.485 1.945 20 0 GDADMM Cc1ccccc1[C@@H](OC[C@H](O)CN1C[C@H](O)C[C@H]1C(=O)[O-])c1ccccc1 ZINC000738758204 600230693 /nfs/dbraw/zinc/23/06/93/600230693.db2.gz LABMQXMTSNHCCP-QCFAMHMHSA-N -1 1 385.460 1.982 20 0 GDADMM O=C([O-])c1cc(S(=O)(=O)Nc2cnn(C[C@H]3CCCO3)c2)c(F)cc1F ZINC000740090097 600233431 /nfs/dbraw/zinc/23/34/31/600233431.db2.gz RYSZTMHNUJZASB-SNVBAGLBSA-N -1 1 387.364 1.839 20 0 GDADMM NC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)cc1 ZINC000739179972 600237357 /nfs/dbraw/zinc/23/73/57/600237357.db2.gz GTKSTXIAGKDRAM-UHFFFAOYSA-N -1 1 386.332 1.886 20 0 GDADMM O=C([O-])CCOc1ccc(S(=O)(=O)Nc2cnn(CC(F)F)c2)cc1 ZINC000739741941 600253823 /nfs/dbraw/zinc/25/38/23/600253823.db2.gz IECCVGZWAOXSBH-UHFFFAOYSA-N -1 1 375.353 1.803 20 0 GDADMM O=C([O-])/C=C1\SCC(=O)N1CCCSc1nc(-c2ccccn2)n[nH]1 ZINC000739625359 600275039 /nfs/dbraw/zinc/27/50/39/600275039.db2.gz PAEOFCOFKXJMLE-WQLSENKSSA-N -1 1 377.451 1.850 20 0 GDADMM COc1ccc(CCNC(=O)CN2CCC3(C[C@H]3C(=O)[O-])CC2)cc1OC ZINC000737991644 600311750 /nfs/dbraw/zinc/31/17/50/600311750.db2.gz CUBNLWHYQWQKRB-HNNXBMFYSA-N -1 1 376.453 1.549 20 0 GDADMM Cc1[nH]nc(S(=O)(=O)N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@@H]32)c1C(=O)[O-] ZINC000738671233 600338510 /nfs/dbraw/zinc/33/85/10/600338510.db2.gz VFJCRWOKZOSCJS-ZFWWWQNUSA-N -1 1 390.465 1.721 20 0 GDADMM O=C([O-])c1ccc(NC(=O)C(=O)NCc2n[nH]c(-c3ccccc3)n2)c(F)c1 ZINC000739450630 600341659 /nfs/dbraw/zinc/34/16/59/600341659.db2.gz RBAGVWVVCKXXNB-UHFFFAOYSA-N -1 1 383.339 1.564 20 0 GDADMM O=C([O-])c1ccc(NC(=O)C(=O)NCc2nc(-c3ccccc3)n[nH]2)c(F)c1 ZINC000739450630 600341661 /nfs/dbraw/zinc/34/16/61/600341661.db2.gz RBAGVWVVCKXXNB-UHFFFAOYSA-N -1 1 383.339 1.564 20 0 GDADMM COc1ccc(-c2n[nH]c(CNC(=O)C(=O)Nc3cccc(C(=O)[O-])c3)n2)cc1 ZINC000737910730 600347821 /nfs/dbraw/zinc/34/78/21/600347821.db2.gz ABLUTKUFFVSKTO-UHFFFAOYSA-N -1 1 395.375 1.433 20 0 GDADMM COc1ccc(-c2nc(CNC(=O)C(=O)Nc3cccc(C(=O)[O-])c3)n[nH]2)cc1 ZINC000737910730 600347824 /nfs/dbraw/zinc/34/78/24/600347824.db2.gz ABLUTKUFFVSKTO-UHFFFAOYSA-N -1 1 395.375 1.433 20 0 GDADMM Cc1c(NC(=O)C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)cccc1C(=O)[O-] ZINC000738300904 600348596 /nfs/dbraw/zinc/34/85/96/600348596.db2.gz XOODUHVCTBUJLJ-UHFFFAOYSA-N -1 1 397.366 1.872 20 0 GDADMM Cc1c(NC(=O)C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)cccc1C(=O)[O-] ZINC000738300904 600348599 /nfs/dbraw/zinc/34/85/99/600348599.db2.gz XOODUHVCTBUJLJ-UHFFFAOYSA-N -1 1 397.366 1.872 20 0 GDADMM CN(C)C[C@@H](NC(=O)C(=O)Nc1ccc(CNC(=O)[O-])cc1)c1ccccc1 ZINC000737360772 600360465 /nfs/dbraw/zinc/36/04/65/600360465.db2.gz NWCJZTRQLYRIJP-QGZVFWFLSA-N -1 1 384.436 1.812 20 0 GDADMM CN(C)C(=O)c1cc(NS(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])ccn1 ZINC000737352552 600360626 /nfs/dbraw/zinc/36/06/26/600360626.db2.gz QKOOOUBOHUDRTQ-UHFFFAOYSA-N -1 1 383.813 1.358 20 0 GDADMM C[C@@H]1CN(CCCNC(=O)C(=O)Nc2ccc(CNC(=O)[O-])cc2)C[C@H](C)O1 ZINC000736810492 600362085 /nfs/dbraw/zinc/36/20/85/600362085.db2.gz OPONTZBSMGVUBX-OKILXGFUSA-N -1 1 392.456 1.008 20 0 GDADMM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C[C@H](O)CN1CCCC1=O)CC2 ZINC000737905525 600374247 /nfs/dbraw/zinc/37/42/47/600374247.db2.gz KJRLDNDKQNZABP-HOCLYGCPSA-N -1 1 392.452 1.061 20 0 GDADMM CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(C)C[C@H](C)C(=O)[O-])cc1 ZINC000737089414 600374779 /nfs/dbraw/zinc/37/47/79/600374779.db2.gz UXWLRFKARSJTEV-ZDUSSCGKSA-N -1 1 385.486 1.308 20 0 GDADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738228847 600454597 /nfs/dbraw/zinc/45/45/97/600454597.db2.gz COYVZGJMVCRSKT-OAHLLOKOSA-N -1 1 398.350 1.998 20 0 GDADMM CNC(=O)[C@H](NC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1)C(C)C ZINC000821631914 607449156 /nfs/dbraw/zinc/44/91/56/607449156.db2.gz XMUIVPKWGUDOKP-CYBMUJFWSA-N -1 1 389.485 1.361 20 0 GDADMM O=C([O-])Nc1ccc(CCNC(=O)C(=O)Nc2ccn(-c3ccncc3)n2)cc1 ZINC000740015365 600504657 /nfs/dbraw/zinc/50/46/57/600504657.db2.gz FVPYAAVDSXPINF-UHFFFAOYSA-N -1 1 394.391 1.655 20 0 GDADMM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CCN(C2CCC2)CC1 ZINC000737680547 600508145 /nfs/dbraw/zinc/50/81/45/600508145.db2.gz GPDYRZYVYHDCMV-CYBMUJFWSA-N -1 1 389.452 1.669 20 0 GDADMM O=C([O-])CCN(CC(=O)N1CCN(Cc2ccccc2)CC1)C[C@@H]1CCCO1 ZINC000739716174 600512060 /nfs/dbraw/zinc/51/20/60/600512060.db2.gz CMTHCMMQKSSIDH-IBGZPJMESA-N -1 1 389.496 1.287 20 0 GDADMM COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)NC2CCN(C)CC2)c1OC ZINC000013198113 600517169 /nfs/dbraw/zinc/51/71/69/600517169.db2.gz XQZAJOBSDVQWSS-SNAWJCMRSA-N -1 1 384.454 1.174 20 0 GDADMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000738274214 600553254 /nfs/dbraw/zinc/55/32/54/600553254.db2.gz BCVUBPXYWVIKRF-HNNXBMFYSA-N -1 1 382.482 1.615 20 0 GDADMM COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)CN(C)C)cc1C(=O)[O-] ZINC000738062136 600580139 /nfs/dbraw/zinc/58/01/39/600580139.db2.gz 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ZINC000739736924 602713721 /nfs/dbraw/zinc/71/37/21/602713721.db2.gz SHMOYRAEDPGCIV-KRWDZBQOSA-N -1 1 389.500 1.780 20 0 GDADMM Cn1ncc2c1CCC[C@@H]2NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826366405 607585808 /nfs/dbraw/zinc/58/58/08/607585808.db2.gz GPXBXKWJVPNEST-LBPRGKRZSA-N -1 1 393.860 1.610 20 0 GDADMM O=C([O-])NCCOc1cccc(NC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)c1 ZINC000740670564 602824577 /nfs/dbraw/zinc/82/45/77/602824577.db2.gz KVKIIQUXKFPAPB-DLBZAZTESA-N -1 1 392.456 1.396 20 0 GDADMM O=C([O-])N1CCOC[C@H]1C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000740406820 602846204 /nfs/dbraw/zinc/84/62/04/602846204.db2.gz WJMPCNSBVZDBBH-CVEARBPZSA-N -1 1 381.860 1.972 20 0 GDADMM CC(=O)N1CCc2ccc(S(=O)(=O)Nc3ccc(NC(=O)[O-])nc3)cc21 ZINC000738525626 602868335 /nfs/dbraw/zinc/86/83/35/602868335.db2.gz IBIPCQABPFRWTP-UHFFFAOYSA-N -1 1 376.394 1.881 20 0 GDADMM COc1ccccc1[C@H](NC(=O)[O-])C(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000739971440 602905368 /nfs/dbraw/zinc/90/53/68/602905368.db2.gz BKZZXFLYJMLVAW-ZOBUZTSGSA-N -1 1 377.441 1.062 20 0 GDADMM CCCN(CC(=O)N(C)C)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825308014 607594111 /nfs/dbraw/zinc/59/41/11/607594111.db2.gz SYBMUYFAYFWKIS-UHFFFAOYSA-N -1 1 386.865 1.009 20 0 GDADMM C[C@@H](CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)N(C)c1ccccc1 ZINC000824426192 607597084 /nfs/dbraw/zinc/59/70/84/607597084.db2.gz BMZLMNASIIZOHX-LBPRGKRZSA-N -1 1 390.444 1.809 20 0 GDADMM O=C([O-])N1CCCC[C@H](NC(=O)NC[C@H](O)CN2CCc3ccccc3C2)C1 ZINC000740405895 602969124 /nfs/dbraw/zinc/96/91/24/602969124.db2.gz QBGWWXWCBLTQIC-ROUUACIJSA-N -1 1 390.484 1.237 20 0 GDADMM COc1ccccc1[C@@H](NC(=O)[O-])C(=O)N1CC[C@H](CN2CCOCC2)C1 ZINC000739963293 602970599 /nfs/dbraw/zinc/97/05/99/602970599.db2.gz JIGRVOSIIXESOH-RHSMWYFYSA-N -1 1 377.441 1.185 20 0 GDADMM Cc1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1NS(C)(=O)=O ZINC000826282316 607597860 /nfs/dbraw/zinc/59/78/60/607597860.db2.gz IPZPTGAFTMMPRC-UHFFFAOYSA-N -1 1 388.409 1.299 20 0 GDADMM Cc1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1NS(C)(=O)=O ZINC000826282316 607597861 /nfs/dbraw/zinc/59/78/61/607597861.db2.gz IPZPTGAFTMMPRC-UHFFFAOYSA-N -1 1 388.409 1.299 20 0 GDADMM COc1ccnc(N2CCN(C(=O)N[C@@H]3CCCCN(C(=O)[O-])C3)CC2)c1 ZINC000739983161 602974230 /nfs/dbraw/zinc/97/42/30/602974230.db2.gz DVOYMUXQUUDTMH-CQSZACIVSA-N -1 1 377.445 1.454 20 0 GDADMM CCOC(=O)CCN(CC1CC1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825511871 607598651 /nfs/dbraw/zinc/59/86/51/607598651.db2.gz IZOMDTZBLDNYSK-UHFFFAOYSA-N -1 1 397.432 1.360 20 0 GDADMM O=C([O-])NC[C@H]1CCCC[C@@H]1NC(=O)CCNC(=O)c1n[nH]c2ccccc21 ZINC000740622475 602991759 /nfs/dbraw/zinc/99/17/59/602991759.db2.gz CGOCXECVUOHRAG-OCCSQVGLSA-N -1 1 387.440 1.625 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CCCN1C(=O)c1ccccc1O ZINC000826467190 607601575 /nfs/dbraw/zinc/60/15/75/607601575.db2.gz KWKQSBSPPAKVGI-HNNXBMFYSA-N -1 1 394.391 1.315 20 0 GDADMM CCCc1nnc([C@@H]2CN(C(=O)[C@H](CNC(=O)[O-])c3ccccc3)CCO2)[nH]1 ZINC000826953216 603078979 /nfs/dbraw/zinc/07/89/79/603078979.db2.gz GFPFKFFNKUGPLE-CABCVRRESA-N -1 1 387.440 1.709 20 0 GDADMM CCCc1n[nH]c([C@@H]2CN(C(=O)[C@H](CNC(=O)[O-])c3ccccc3)CCO2)n1 ZINC000826953216 603078983 /nfs/dbraw/zinc/07/89/83/603078983.db2.gz GFPFKFFNKUGPLE-CABCVRRESA-N -1 1 387.440 1.709 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000824109625 607608145 /nfs/dbraw/zinc/60/81/45/607608145.db2.gz TWIHYVQSFXDSEE-CHWSQXEVSA-N -1 1 388.428 1.998 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000824109625 607608147 /nfs/dbraw/zinc/60/81/47/607608147.db2.gz TWIHYVQSFXDSEE-CHWSQXEVSA-N -1 1 388.428 1.998 20 0 GDADMM COc1ccccc1[C@H](CNC(=O)[C@H]1C[C@H](O)CN1C(=O)[O-])N1CCCC1 ZINC000739955729 603132836 /nfs/dbraw/zinc/13/28/36/603132836.db2.gz BSJHSGXZECUZON-IMJJTQAJSA-N -1 1 377.441 1.062 20 0 GDADMM C[C@@H]1CN(C(=O)Nc2ccccc2N2CCN(C)CC2)CC[C@H]1NC(=O)[O-] ZINC000739146008 603184806 /nfs/dbraw/zinc/18/48/06/603184806.db2.gz OSIUJYHUJBKTHE-HUUCEWRRSA-N -1 1 375.473 1.948 20 0 GDADMM Cc1ccccc1C(=O)NC1CCN(C(=O)CN(C)CCCNC(=O)[O-])CC1 ZINC000740183121 603255562 /nfs/dbraw/zinc/25/55/62/603255562.db2.gz MALPNRJSVQMNHY-UHFFFAOYSA-N -1 1 390.484 1.305 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCOc2ncccc2C(F)(F)F)n1 ZINC000826356919 607620552 /nfs/dbraw/zinc/62/05/52/607620552.db2.gz KUTCTZVBJKAEKS-UHFFFAOYSA-N -1 1 397.321 1.215 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCOc2ncccc2C(F)(F)F)n1 ZINC000826356919 607620553 /nfs/dbraw/zinc/62/05/53/607620553.db2.gz KUTCTZVBJKAEKS-UHFFFAOYSA-N -1 1 397.321 1.215 20 0 GDADMM C[C@@H](NC(=O)[O-])C(=O)NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1 ZINC000738995893 603283052 /nfs/dbraw/zinc/28/30/52/603283052.db2.gz QKASTTPUIMJVLE-LLVKDONJSA-N -1 1 388.390 1.730 20 0 GDADMM O=S(=O)(Oc1ccc(-n2cncn2)cc1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826493544 607620720 /nfs/dbraw/zinc/62/07/20/607620720.db2.gz PYJWJIIKDLASOO-UHFFFAOYSA-N -1 1 387.356 1.354 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCC[C@H]1Cn1cccn1 ZINC000826495347 607621938 /nfs/dbraw/zinc/62/19/38/607621938.db2.gz MQWPWGAARJAWCL-NSHDSACASA-N -1 1 393.860 1.570 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCC[C@H]1Cn1cccn1 ZINC000826495347 607621940 /nfs/dbraw/zinc/62/19/40/607621940.db2.gz MQWPWGAARJAWCL-NSHDSACASA-N -1 1 393.860 1.570 20 0 GDADMM CCN(Cc1ccccc1NC(=O)N[C@H](C)CN1CCN(C)CC1)C(=O)[O-] ZINC000739447820 603354932 /nfs/dbraw/zinc/35/49/32/603354932.db2.gz PTMIYDJFVBQRTJ-OAHLLOKOSA-N -1 1 377.489 1.944 20 0 GDADMM CN1CCN(c2ccccc2NC(=O)N[C@@H]2CCC[C@H]2CNC(=O)[O-])CC1 ZINC000739736363 603370117 /nfs/dbraw/zinc/37/01/17/603370117.db2.gz KXDJDTHBSUIWLC-LSDHHAIUSA-N -1 1 375.473 1.996 20 0 GDADMM O=S(=O)(NC[C@@H](O)c1ccccc1F)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826489193 607625613 /nfs/dbraw/zinc/62/56/13/607625613.db2.gz JQQRQAZQTBVRSO-GFCCVEGCSA-N -1 1 397.819 1.671 20 0 GDADMM O=S(=O)(NC[C@@H](O)c1ccccc1F)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826489193 607625615 /nfs/dbraw/zinc/62/56/15/607625615.db2.gz JQQRQAZQTBVRSO-GFCCVEGCSA-N -1 1 397.819 1.671 20 0 GDADMM COc1ccccc1[C@@H](O)CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826218416 607626847 /nfs/dbraw/zinc/62/68/47/607626847.db2.gz BEVCXFVEDKZDTJ-LBPRGKRZSA-N -1 1 393.400 1.026 20 0 GDADMM COc1ccccc1[C@@H](O)CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826218416 607626848 /nfs/dbraw/zinc/62/68/48/607626848.db2.gz BEVCXFVEDKZDTJ-LBPRGKRZSA-N -1 1 393.400 1.026 20 0 GDADMM O=C([O-])Nc1ccc(NC(=O)C(=O)N2CCN(CC3CCOCC3)CC2)cc1 ZINC000738664404 603426528 /nfs/dbraw/zinc/42/65/28/603426528.db2.gz NMGDLIQSORPKTK-UHFFFAOYSA-N -1 1 390.440 1.286 20 0 GDADMM C[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)c1cccc(O)c1 ZINC000824634665 607629170 /nfs/dbraw/zinc/62/91/70/607629170.db2.gz WKLNUBWHXWSAKB-MRVPVSSYSA-N -1 1 381.364 1.890 20 0 GDADMM O=S(=O)(NC[C@H](O)c1cccc(F)c1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826489029 607629573 /nfs/dbraw/zinc/62/95/73/607629573.db2.gz GCLAVCAZOMPYCX-LBPRGKRZSA-N -1 1 381.364 1.157 20 0 GDADMM O=S(=O)(NC[C@H](O)c1cccc(F)c1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826489029 607629575 /nfs/dbraw/zinc/62/95/75/607629575.db2.gz GCLAVCAZOMPYCX-LBPRGKRZSA-N -1 1 381.364 1.157 20 0 GDADMM CCN(CC1CCN([C@H](C)C(=O)NC(=O)NCC(F)(F)F)CC1)C(=O)[O-] ZINC000827089847 603539949 /nfs/dbraw/zinc/53/99/49/603539949.db2.gz XFXQRLJLNJAHQG-SNVBAGLBSA-N -1 1 382.383 1.475 20 0 GDADMM C[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)[C@H](O)c1ccc(F)cc1 ZINC000824641812 607636472 /nfs/dbraw/zinc/63/64/72/607636472.db2.gz ZDRSNNCVAZFBCT-VFZGTOFNSA-N -1 1 395.391 1.545 20 0 GDADMM CCC[C@@H](O)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825248390 607637089 /nfs/dbraw/zinc/63/70/89/607637089.db2.gz SLBOSBDAJCHKSG-SECBINFHSA-N -1 1 379.364 1.325 20 0 GDADMM CN(C[C@H]1CCCN1CC(=O)N1CCN(Cc2ccsc2)CC1)C(=O)[O-] ZINC000828223430 603577436 /nfs/dbraw/zinc/57/74/36/603577436.db2.gz LRLZWBZGFNKQQM-MRXNPFEDSA-N -1 1 380.514 1.467 20 0 GDADMM O=S(=O)(N[C@H](CO)c1cccc(F)c1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826487513 607638904 /nfs/dbraw/zinc/63/89/04/607638904.db2.gz QMNJIIQTSKDRJU-GFCCVEGCSA-N -1 1 397.819 1.671 20 0 GDADMM O=S(=O)(N[C@H](CO)c1cccc(F)c1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826487513 607638906 /nfs/dbraw/zinc/63/89/06/607638906.db2.gz QMNJIIQTSKDRJU-GFCCVEGCSA-N -1 1 397.819 1.671 20 0 GDADMM O=S(=O)(N[C@@H](CO)c1cccc(F)c1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826487432 607638936 /nfs/dbraw/zinc/63/89/36/607638936.db2.gz ONFSJUZHLSWIJH-LBPRGKRZSA-N -1 1 381.364 1.157 20 0 GDADMM O=S(=O)(N[C@@H](CO)c1cccc(F)c1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826487432 607638938 /nfs/dbraw/zinc/63/89/38/607638938.db2.gz ONFSJUZHLSWIJH-LBPRGKRZSA-N -1 1 381.364 1.157 20 0 GDADMM COc1ccccc1[C@H](CO)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826219270 607639442 /nfs/dbraw/zinc/63/94/42/607639442.db2.gz XEUOOHIRNHMLPU-LBPRGKRZSA-N -1 1 393.400 1.026 20 0 GDADMM COc1ccccc1[C@H](CO)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826219270 607639444 /nfs/dbraw/zinc/63/94/44/607639444.db2.gz XEUOOHIRNHMLPU-LBPRGKRZSA-N -1 1 393.400 1.026 20 0 GDADMM C[C@](O)(CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)c1ccsc1 ZINC000824670635 607641917 /nfs/dbraw/zinc/64/19/17/607641917.db2.gz SRMMKUYTGZQGEG-AWEZNQCLSA-N -1 1 399.885 1.768 20 0 GDADMM C[C@](O)(CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)c1ccsc1 ZINC000824670635 607641919 /nfs/dbraw/zinc/64/19/19/607641919.db2.gz SRMMKUYTGZQGEG-AWEZNQCLSA-N -1 1 399.885 1.768 20 0 GDADMM O=C([O-])N[C@@H](CNC(=O)N1CCN(C[C@H]2CCOC2)CC1)c1ccccc1 ZINC000832128020 603669762 /nfs/dbraw/zinc/66/97/62/603669762.db2.gz LVSCDJAITWULFA-WBVHZDCISA-N -1 1 376.457 1.359 20 0 GDADMM O=C([O-])N1CCCN(C(=O)NCC2(CN3CCOCC3)CCCCC2)CC1 ZINC000832008970 603672324 /nfs/dbraw/zinc/67/23/24/603672324.db2.gz FWDOMVPMVISDHN-UHFFFAOYSA-N -1 1 382.505 1.664 20 0 GDADMM CCN(Cc1ccccc1NC(=O)C(=O)N1CC[C@H](N2CC=CC2)C1)C(=O)[O-] ZINC000827176762 603735630 /nfs/dbraw/zinc/73/56/30/603735630.db2.gz OQRVPXLVIMNKKU-INIZCTEOSA-N -1 1 386.452 1.598 20 0 GDADMM O=C([O-])NCc1nc(C(=O)NC2CCN(Cc3cccnc3)CC2)cs1 ZINC000832734726 603897698 /nfs/dbraw/zinc/89/76/98/603897698.db2.gz LHIXKHROPNQORI-UHFFFAOYSA-N -1 1 375.454 1.700 20 0 GDADMM CCN(CC1CCN(C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)CC1)C(=O)[O-] ZINC000827071121 603920356 /nfs/dbraw/zinc/92/03/56/603920356.db2.gz ZBADVYLQHJFNLB-HZPDHXFCSA-N -1 1 384.521 1.907 20 0 GDADMM C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)C(=O)OC1CCCC1 ZINC000826232280 607661441 /nfs/dbraw/zinc/66/14/41/607661441.db2.gz QVOVMOIHRRNDJS-VIFPVBQESA-N -1 1 383.405 1.158 20 0 GDADMM C[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)C(=O)OC1CCCC1 ZINC000826232280 607661443 /nfs/dbraw/zinc/66/14/43/607661443.db2.gz QVOVMOIHRRNDJS-VIFPVBQESA-N -1 1 383.405 1.158 20 0 GDADMM CC(C)[C@H]1OCCC[C@@H]1CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824230074 607663520 /nfs/dbraw/zinc/66/35/20/607663520.db2.gz ZIEOOEORVZOUMP-IAQYHMDHSA-N -1 1 383.449 1.735 20 0 GDADMM CC(C)[C@H]1OCCC[C@@H]1CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824230074 607663522 /nfs/dbraw/zinc/66/35/22/607663522.db2.gz ZIEOOEORVZOUMP-IAQYHMDHSA-N -1 1 383.449 1.735 20 0 GDADMM C[C@H](NC(=O)Cn1c(=O)c2ccccc2[nH]c1=S)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000825126545 604002043 /nfs/dbraw/zinc/00/20/43/604002043.db2.gz GJKHXJUBKXQYRT-NWDGAFQWSA-N -1 1 390.465 1.580 20 0 GDADMM CN(C)C(=O)c1ccccc1OS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000825850769 607665593 /nfs/dbraw/zinc/66/55/93/607665593.db2.gz RSJXCAXYIVGRDO-UHFFFAOYSA-N -1 1 391.384 1.475 20 0 GDADMM CN(C)C(=O)c1ccccc1OS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825850769 607665595 /nfs/dbraw/zinc/66/55/95/607665595.db2.gz RSJXCAXYIVGRDO-UHFFFAOYSA-N -1 1 391.384 1.475 20 0 GDADMM CCOC(=O)c1cnc(N2CCN(CC3CCN(C(=O)[O-])CC3)CC2)s1 ZINC000827349300 604063133 /nfs/dbraw/zinc/06/31/33/604063133.db2.gz IJMSPEAMXCPPQD-UHFFFAOYSA-N -1 1 382.486 1.832 20 0 GDADMM Cc1cc(F)ccc1CCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826268988 607669706 /nfs/dbraw/zinc/66/97/06/607669706.db2.gz WQENAFHMZJATSL-UHFFFAOYSA-N -1 1 379.392 1.974 20 0 GDADMM Cc1cc(F)ccc1CCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826268988 607669707 /nfs/dbraw/zinc/66/97/07/607669707.db2.gz WQENAFHMZJATSL-UHFFFAOYSA-N -1 1 379.392 1.974 20 0 GDADMM O=S(=O)(NCCc1ccc(Cl)nc1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826491416 607672987 /nfs/dbraw/zinc/67/29/87/607672987.db2.gz IPBWPOLIBZKILX-UHFFFAOYSA-N -1 1 382.808 1.575 20 0 GDADMM O=S(=O)(NCCc1ccc(Cl)nc1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826491416 607672989 /nfs/dbraw/zinc/67/29/89/607672989.db2.gz IPBWPOLIBZKILX-UHFFFAOYSA-N -1 1 382.808 1.575 20 0 GDADMM Cc1nc(CCNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)sc1C ZINC000826325853 607674311 /nfs/dbraw/zinc/67/43/11/607674311.db2.gz OFKVQPZXIASMDN-UHFFFAOYSA-N -1 1 382.446 1.600 20 0 GDADMM O=C([O-])N1[C@@H]2CC[C@H]1CN(C(=O)NC1CCN(Cc3ccccn3)CC1)CC2 ZINC000831604458 604161792 /nfs/dbraw/zinc/16/17/92/604161792.db2.gz QMQMYDJHYPZVQM-MSOLQXFVSA-N -1 1 387.484 1.972 20 0 GDADMM Cc1ncc(CCNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)s1 ZINC000826329610 607678812 /nfs/dbraw/zinc/67/88/12/607678812.db2.gz KYAMEXQOOCNVID-UHFFFAOYSA-N -1 1 384.874 1.806 20 0 GDADMM Cc1ncc(CCNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)s1 ZINC000826329610 607678814 /nfs/dbraw/zinc/67/88/14/607678814.db2.gz KYAMEXQOOCNVID-UHFFFAOYSA-N -1 1 384.874 1.806 20 0 GDADMM CCOCCN1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])C[C@H]1CC ZINC000827399452 604210820 /nfs/dbraw/zinc/21/08/20/604210820.db2.gz GYYYCGKRRMJYIT-IFFAKLHKSA-N -1 1 382.505 1.802 20 0 GDADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)c2ccc3c(c2)[nH]c(=S)n(C)c3=O)C1 ZINC000825245277 604260018 /nfs/dbraw/zinc/26/00/18/604260018.db2.gz NESMGRJHZUZFSL-ZYHUDNBSSA-N -1 1 390.465 1.731 20 0 GDADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)CCNC(=O)c2n[nH]c3ccccc32)C1 ZINC000825209685 604262469 /nfs/dbraw/zinc/26/24/69/604262469.db2.gz FHPCKTPCYKNPRH-CHWSQXEVSA-N -1 1 387.440 1.578 20 0 GDADMM CN(CC(=O)N(CCCC(=O)[O-])Cc1ccccc1)c1ncnc2[nH]cnc21 ZINC000830665789 604352687 /nfs/dbraw/zinc/35/26/87/604352687.db2.gz WMTCZDUWMNRGNS-UHFFFAOYSA-N -1 1 382.424 1.683 20 0 GDADMM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CCN(CCCN2CCOCC2)CC1 ZINC000833173878 604359723 /nfs/dbraw/zinc/35/97/23/604359723.db2.gz XIAQCHZIKUPNQF-GOSISDBHSA-N -1 1 381.904 1.806 20 0 GDADMM C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(-n3[n-]c(CC(=O)[O-])cc3=O)cc2)C1 ZINC000830928079 604373466 /nfs/dbraw/zinc/37/34/66/604373466.db2.gz GPRZRWYWZPFNAR-YJBOKZPZSA-N -1 1 398.463 1.349 20 0 GDADMM C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(-n3[n-]c(CC(=O)[O-])cc3=O)cc2)C1 ZINC000830928079 604373469 /nfs/dbraw/zinc/37/34/69/604373469.db2.gz GPRZRWYWZPFNAR-YJBOKZPZSA-N -1 1 398.463 1.349 20 0 GDADMM COc1cc(CNC2CN(C(=O)[O-])C2)cc(I)c1OC ZINC000829124188 604419793 /nfs/dbraw/zinc/41/97/93/604419793.db2.gz AWOANKVHUHXJLD-UHFFFAOYSA-N -1 1 392.193 1.760 20 0 GDADMM CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc(NC(=O)[O-])nc2)c1 ZINC000827490097 604422729 /nfs/dbraw/zinc/42/27/29/604422729.db2.gz SZUDOCAMPNSZQA-UHFFFAOYSA-N -1 1 385.423 1.766 20 0 GDADMM O=S(=O)(Cc1nc(C2CCCC2)no1)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826486782 607692738 /nfs/dbraw/zinc/69/27/38/607692738.db2.gz QGPMHSGQVLZGFP-UHFFFAOYSA-N -1 1 375.414 1.417 20 0 GDADMM O=S(=O)(Cc1nc(C2CCCC2)no1)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826486782 607692739 /nfs/dbraw/zinc/69/27/39/607692739.db2.gz QGPMHSGQVLZGFP-UHFFFAOYSA-N -1 1 375.414 1.417 20 0 GDADMM O=C([O-])C[C@@H]1C(=O)NCCN1CCCCCCN1C(=O)c2ccccc2C1=O ZINC000833207688 604506322 /nfs/dbraw/zinc/50/63/22/604506322.db2.gz OINUSQLEQFMFJE-MRXNPFEDSA-N -1 1 387.436 1.118 20 0 GDADMM C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)N2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000825382088 604614926 /nfs/dbraw/zinc/61/49/26/604614926.db2.gz ALUMNNIRDOCYLP-NVXWUHKLSA-N -1 1 390.484 1.879 20 0 GDADMM COC(=O)c1cc(NC(=O)CN2CCC[C@]2(C)CCCO)cc(C(=O)[O-])c1 ZINC000833715746 604618225 /nfs/dbraw/zinc/61/82/25/604618225.db2.gz ZBRXVGPQLPBTRJ-LJQANCHMSA-N -1 1 378.425 1.737 20 0 GDADMM C[C@@H](c1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])nc2)c1)N1CCOCC1 ZINC000833547359 604700708 /nfs/dbraw/zinc/70/07/08/604700708.db2.gz CDVCWAMDNFTEOV-ZDUSSCGKSA-N -1 1 391.449 1.974 20 0 GDADMM C[C@H]1CCCCN1CC(N)=NOCC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000828259643 604793764 /nfs/dbraw/zinc/79/37/64/604793764.db2.gz YZGXKESKPSKHRU-ZDUSSCGKSA-N -1 1 377.445 1.766 20 0 GDADMM Cc1[nH]ncc1CCCNC(=O)C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000832848748 604819671 /nfs/dbraw/zinc/81/96/71/604819671.db2.gz MFSUKBNSTRHLPB-UHFFFAOYSA-N -1 1 394.815 1.522 20 0 GDADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2Cc1nnc(-c2ccccc2)n1C ZINC000826295259 607718451 /nfs/dbraw/zinc/71/84/51/607718451.db2.gz ZCYWUZSOJXRNBB-UHFFFAOYSA-N -1 1 399.418 1.729 20 0 GDADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2Cc1cccc2nsnc21 ZINC000826294952 607718559 /nfs/dbraw/zinc/71/85/59/607718559.db2.gz KQGLDDKSCRXVNM-UHFFFAOYSA-N -1 1 376.405 1.938 20 0 GDADMM CC(C)(C(=O)[O-])[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3cccc(C(=O)[O-])c3)C2=O)C1 ZINC000833417499 604857956 /nfs/dbraw/zinc/85/79/56/604857956.db2.gz RWBRMSMBEYOGFR-UKRRQHHQSA-N -1 1 388.420 1.840 20 0 GDADMM C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1nc3cccc(C(=O)[O-])c3[nH]1)C2=O ZINC000833610902 604866962 /nfs/dbraw/zinc/86/69/62/604866962.db2.gz YTVWVVKBEGGLLU-DGIBIBHMSA-N -1 1 399.407 1.700 20 0 GDADMM CC(C)C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])co1)c1nc(-c2nc[nH]n2)no1 ZINC000833485040 604898449 /nfs/dbraw/zinc/89/84/49/604898449.db2.gz XHWFMVQFYOPHTD-VIFPVBQESA-N -1 1 396.385 1.212 20 0 GDADMM CNC(=O)[C@H]1CCCN1CCC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)[O-] ZINC000830984095 604967746 /nfs/dbraw/zinc/96/77/46/604967746.db2.gz DIUMWFZQXNXKJR-SNVBAGLBSA-N -1 1 397.453 1.080 20 0 GDADMM COc1ccnc(N2CCN(C(=O)Nc3nc(CCC(=O)[O-])cs3)CC2)c1 ZINC000832636759 604972107 /nfs/dbraw/zinc/97/21/07/604972107.db2.gz FAAPHGJTXYQKRW-UHFFFAOYSA-N -1 1 391.453 1.918 20 0 GDADMM C[C@H](c1ccccc1)N1CCN(C(=O)CN2CCC([C@@H](O)C(=O)[O-])CC2)CC1 ZINC000833547597 604976410 /nfs/dbraw/zinc/97/64/10/604976410.db2.gz CXODDRUPTLWXGR-OXQOHEQNSA-N -1 1 389.496 1.049 20 0 GDADMM COC(=O)c1cccc(N2CC(=O)N(CN3CCC[C@H]3CC(=O)[O-])C2=O)c1 ZINC000831453551 604980436 /nfs/dbraw/zinc/98/04/36/604980436.db2.gz UHAWLTDWQAWSSN-ZDUSSCGKSA-N -1 1 375.381 1.138 20 0 GDADMM CCc1nn(C)cc1NS(=O)(=O)c1cc(/C=C\C(=O)[O-])cc(OC)c1OC ZINC000833678649 605007256 /nfs/dbraw/zinc/00/72/56/605007256.db2.gz UFRHMMHYAWLWQW-SREVYHEPSA-N -1 1 395.437 1.898 20 0 GDADMM CCc1nc([C@@H](C)NC(=O)N[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)n[nH]1 ZINC000833675182 605022154 /nfs/dbraw/zinc/02/21/54/605022154.db2.gz YVCXKCZMJALMOP-PSASIEDQSA-N -1 1 392.441 1.293 20 0 GDADMM CC(C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccc(OCC(=O)[O-])cc2)n[nH]1 ZINC000833512179 605022972 /nfs/dbraw/zinc/02/29/72/605022972.db2.gz KKVVXBVBQDZEMB-JTQLQIEISA-N -1 1 375.385 1.207 20 0 GDADMM CC(C)c1nc([C@@H](C)NC(=O)C(=O)Nc2cccc(OCC(=O)[O-])c2)n[nH]1 ZINC000833511946 605023038 /nfs/dbraw/zinc/02/30/38/605023038.db2.gz FXGGIWFVTZVKPU-SNVBAGLBSA-N -1 1 375.385 1.207 20 0 GDADMM CC(C)c1nc([C@H](C)NC(=O)C(=O)Nc2ccc(OCCC(=O)[O-])cc2)n[nH]1 ZINC000833512764 605023774 /nfs/dbraw/zinc/02/37/74/605023774.db2.gz UDHABRSRAVRCGE-NSHDSACASA-N -1 1 389.412 1.598 20 0 GDADMM COCCN1CCC[C@H]1CNS(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000833724422 605024948 /nfs/dbraw/zinc/02/49/48/605024948.db2.gz MDUXPMVBDLAWFW-LBPRGKRZSA-N -1 1 398.506 1.989 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)N2C[C@@H]3CCCN3C[C@H]2C)c(C(=O)[O-])s1 ZINC000833713619 605027901 /nfs/dbraw/zinc/02/79/01/605027901.db2.gz CWXGYMFFIMSDBC-ZJUUUORDSA-N -1 1 388.467 1.090 20 0 GDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)NCc1cc(Cl)c2c(c1)OCCO2 ZINC000833625553 605044015 /nfs/dbraw/zinc/04/40/15/605044015.db2.gz NCWKPXUQAVBDDS-GFCCVEGCSA-N -1 1 397.859 1.802 20 0 GDADMM CCOc1cc(C(=O)N2CCC[C@@H](c3nn[nH]n3)C2)ccc1OCC(=O)[O-] ZINC000833660639 605066192 /nfs/dbraw/zinc/06/61/92/605066192.db2.gz DNSPNRKGHATNLE-GFCCVEGCSA-N -1 1 375.385 1.082 20 0 GDADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)Cc1csc(NC(=O)c2ccccc2)n1 ZINC000833765680 605078823 /nfs/dbraw/zinc/07/88/23/605078823.db2.gz WXWCCQJNOCXTIL-AWEZNQCLSA-N -1 1 399.432 1.473 20 0 GDADMM CC(C)c1nc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])nn1-c1cccc(F)c1 ZINC000833512739 605080138 /nfs/dbraw/zinc/08/01/38/605080138.db2.gz SOFPNNWQWHZURC-AWEZNQCLSA-N -1 1 386.387 1.679 20 0 GDADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)Cc1csc(Cc2ccc(F)cc2)n1 ZINC000833765648 605082825 /nfs/dbraw/zinc/08/28/25/605082825.db2.gz URESUPGOVHLURI-HNNXBMFYSA-N -1 1 388.424 1.951 20 0 GDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000833620563 605101291 /nfs/dbraw/zinc/10/12/91/605101291.db2.gz LFZZIOVLFDYKMN-GJZGRUSLSA-N -1 1 383.489 1.641 20 0 GDADMM CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)N3CC[C@H](NC(=O)[O-])C3)c2C1 ZINC000738766881 605114471 /nfs/dbraw/zinc/11/44/71/605114471.db2.gz NUTJPFHDMGWOBP-HIFRSBDPSA-N -1 1 388.468 1.854 20 0 GDADMM O=C([O-])Cc1ccc(NC(=O)C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000833775709 605134759 /nfs/dbraw/zinc/13/47/59/605134759.db2.gz KWYSLXGAFSFGHY-AWEZNQCLSA-N -1 1 397.435 1.654 20 0 GDADMM CC(=O)N1CC[C@@H](NC(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)c2ccccc21 ZINC000833391918 605140940 /nfs/dbraw/zinc/14/09/40/605140940.db2.gz WXOQCSBUCZJOOG-WMLDXEAASA-N -1 1 388.468 1.675 20 0 GDADMM CCc1nc([C@@H]2CN(C(=O)N[C@@H](C)[C@H]3CCCN(C(=O)[O-])C3)CCO2)n[nH]1 ZINC000827619853 605162360 /nfs/dbraw/zinc/16/23/60/605162360.db2.gz CMDZMCLAWWIKOB-AVGNSLFASA-N -1 1 380.449 1.229 20 0 GDADMM CC(=O)N[C@@H](CC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)c1ccc(F)cc1F ZINC000833395263 605163495 /nfs/dbraw/zinc/16/34/95/605163495.db2.gz LVLRHECGUJPVEP-SJCJKPOMSA-N -1 1 397.422 1.540 20 0 GDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C1(c2ccc(F)cc2)CCOCC1 ZINC000833618771 605164539 /nfs/dbraw/zinc/16/45/39/605164539.db2.gz FSSDYOJVUVJZRO-OAHLLOKOSA-N -1 1 378.444 1.881 20 0 GDADMM CC(C)(C)NC(=O)CN1CCC(CNC(=O)Nc2cncc(C(=O)[O-])c2)CC1 ZINC000833431555 605181477 /nfs/dbraw/zinc/18/14/77/605181477.db2.gz QLWXIHKLTSBZFM-UHFFFAOYSA-N -1 1 391.472 1.528 20 0 GDADMM C[C@H]1CN(CCC(=O)[O-])CCN1CC(=O)Nc1ccccc1N1CCCC1=O ZINC000833628658 605197763 /nfs/dbraw/zinc/19/77/63/605197763.db2.gz MZUBFTXQWOEHRS-HNNXBMFYSA-N -1 1 388.468 1.233 20 0 GDADMM C[C@H]1CN(C(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)CCN1CCC(=O)[O-] ZINC000833618639 605276588 /nfs/dbraw/zinc/27/65/88/605276588.db2.gz PVWNPXWYKKJVDF-ZBEGNZNMSA-N -1 1 381.379 1.465 20 0 GDADMM C[C@@H]1CN(C(=O)[C@H]2CCCC[C@@H]2C(=O)N2CCCC2)CCN1CCC(=O)[O-] ZINC000833617355 605278041 /nfs/dbraw/zinc/27/80/41/605278041.db2.gz CNDRQSVNIHZJBW-IKGGRYGDSA-N -1 1 379.501 1.423 20 0 GDADMM O=C(CO[C@H]1CCCN(C(=O)[O-])C1)NC1CCN(Cc2cccnc2)CC1 ZINC000831513268 605321240 /nfs/dbraw/zinc/32/12/40/605321240.db2.gz OMGSMXBMIAHSNB-KRWDZBQOSA-N -1 1 376.457 1.321 20 0 GDADMM CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1ccc(Br)cc1[O-] ZINC000529751822 649956920 /nfs/dbraw/zinc/95/69/20/649956920.db2.gz JWEDPFBCUVETRM-KRWDZBQOSA-N -1 1 399.285 1.500 20 0 GDADMM C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000825836924 605366344 /nfs/dbraw/zinc/36/63/44/605366344.db2.gz BAKYGRVBZFGECV-GXSJLCMTSA-N -1 1 376.438 1.483 20 0 GDADMM O=C([O-])NCC(=O)NCC(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000834192640 605388010 /nfs/dbraw/zinc/38/80/10/605388010.db2.gz ACRJUVZWEZKZEF-LBPRGKRZSA-N -1 1 379.804 1.264 20 0 GDADMM C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824883725 607767831 /nfs/dbraw/zinc/76/78/31/607767831.db2.gz IVULTCDSVANAAR-RYUDHWBXSA-N -1 1 387.444 1.637 20 0 GDADMM C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824883725 607767832 /nfs/dbraw/zinc/76/78/32/607767832.db2.gz IVULTCDSVANAAR-RYUDHWBXSA-N -1 1 387.444 1.637 20 0 GDADMM O=C([O-])NC1CCC(C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000834167242 605683376 /nfs/dbraw/zinc/68/33/76/605683376.db2.gz BMCKJUYEKKVBRP-CHPDAQJUSA-N -1 1 389.496 1.812 20 0 GDADMM O=C([O-])N[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)C1 ZINC000834169228 605683548 /nfs/dbraw/zinc/68/35/48/605683548.db2.gz KDVYHGPJUGWMIM-WNRNVDISSA-N -1 1 375.469 1.422 20 0 GDADMM O=C([O-])N1CC(OCCC(=O)N2CCC(CCCN3CCOCC3)CC2)C1 ZINC000834069474 605811876 /nfs/dbraw/zinc/81/18/76/605811876.db2.gz ACDISIMEGRKPNA-UHFFFAOYSA-N -1 1 383.489 1.106 20 0 GDADMM C[C@]1(C(=O)OCC2=Nc3ccccc3S(=O)(=O)N2)CCCN(C(=O)[O-])C1 ZINC000833822409 605859150 /nfs/dbraw/zinc/85/91/50/605859150.db2.gz QFFJOPJJVIFRTD-INIZCTEOSA-N -1 1 381.410 1.332 20 0 GDADMM C[C@H]1C[C@H](CNC(=O)[O-])CN1CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000833833626 605900634 /nfs/dbraw/zinc/90/06/34/605900634.db2.gz YVHRPBCADWOZBN-LSDHHAIUSA-N -1 1 376.457 1.440 20 0 GDADMM C[C@@H]1C[C@H](CNC(=O)[O-])CN1CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000833833434 605902631 /nfs/dbraw/zinc/90/26/31/605902631.db2.gz YAIZHHNEKTZPCI-VXGBXAGGSA-N -1 1 392.412 1.084 20 0 GDADMM COCCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000833724648 605919501 /nfs/dbraw/zinc/91/95/01/605919501.db2.gz QLQFVCJGHXJUTI-LBPRGKRZSA-N -1 1 383.832 1.204 20 0 GDADMM CC(C)CN1CCO[C@H](CNC(=O)Nc2cnc3c(c2)CN(C(=O)[O-])CC3)C1 ZINC000833795890 605924933 /nfs/dbraw/zinc/92/49/33/605924933.db2.gz HOHQFLXCHACPNT-MRXNPFEDSA-N -1 1 391.472 1.596 20 0 GDADMM O=C([O-])N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1nc(SCCO)n[nH]1 ZINC000834251873 605952015 /nfs/dbraw/zinc/95/20/15/605952015.db2.gz SSKCYBFKKWKYFO-LBPRGKRZSA-N -1 1 390.425 1.188 20 0 GDADMM O=C([O-])N(CC(=O)Nc1ccccc1CN1CCC(O)CC1)C[C@H]1CCCO1 ZINC000834005155 605975927 /nfs/dbraw/zinc/97/59/27/605975927.db2.gz BACVDGXGEZMHAP-QGZVFWFLSA-N -1 1 391.468 1.741 20 0 GDADMM O=C([O-])N[C@H]1CCC[C@H]1NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000834177195 605981283 /nfs/dbraw/zinc/98/12/83/605981283.db2.gz VPPNOKFJXGBTEU-OLZOCXBDSA-N -1 1 389.499 1.047 20 0 GDADMM COc1ccc(CN(C)CC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)cc1O ZINC000821795087 606076393 /nfs/dbraw/zinc/07/63/93/606076393.db2.gz TVQMGQGVMGTUKS-UHFFFAOYSA-N -1 1 386.412 1.861 20 0 GDADMM CC(C)n1nccc1NC(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820513203 606134234 /nfs/dbraw/zinc/13/42/34/606134234.db2.gz XJINCWJGDAKJLG-VIFPVBQESA-N -1 1 375.414 1.890 20 0 GDADMM CC(C)n1nccc1NC(=O)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820513203 606134236 /nfs/dbraw/zinc/13/42/36/606134236.db2.gz XJINCWJGDAKJLG-VIFPVBQESA-N -1 1 375.414 1.890 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000823396936 606135809 /nfs/dbraw/zinc/13/58/09/606135809.db2.gz PELFFWWPYNGZTE-QWRGUYRKSA-N -1 1 377.426 1.255 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000823396936 606135811 /nfs/dbraw/zinc/13/58/11/606135811.db2.gz PELFFWWPYNGZTE-QWRGUYRKSA-N -1 1 377.426 1.255 20 0 GDADMM Cc1ncoc1C(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000822481922 606137219 /nfs/dbraw/zinc/13/72/19/606137219.db2.gz HEWZCRUWFBYVNM-UHFFFAOYSA-N -1 1 396.367 1.374 20 0 GDADMM COC(=O)[C@@H](CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)Cc1cccc(C)c1 ZINC000821641024 606155467 /nfs/dbraw/zinc/15/54/67/606155467.db2.gz UNLYEYUDSIKBKL-CYBMUJFWSA-N -1 1 398.427 1.062 20 0 GDADMM COC(=O)[C@@H](CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)Cc1cccc(C)c1 ZINC000821641024 606155468 /nfs/dbraw/zinc/15/54/68/606155468.db2.gz UNLYEYUDSIKBKL-CYBMUJFWSA-N -1 1 398.427 1.062 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)n1 ZINC000822613109 606155847 /nfs/dbraw/zinc/15/58/47/606155847.db2.gz APJZICYXEMUUOS-LLVKDONJSA-N -1 1 397.226 1.762 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)n1 ZINC000822613109 606155849 /nfs/dbraw/zinc/15/58/49/606155849.db2.gz APJZICYXEMUUOS-LLVKDONJSA-N -1 1 397.226 1.762 20 0 GDADMM CCc1ccccc1NC(=O)CN(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000821496619 606157147 /nfs/dbraw/zinc/15/71/47/606157147.db2.gz JCQLRUDJEKPORF-UHFFFAOYSA-N -1 1 383.416 1.265 20 0 GDADMM CCc1ccccc1NC(=O)CN(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821496619 606157149 /nfs/dbraw/zinc/15/71/49/606157149.db2.gz JCQLRUDJEKPORF-UHFFFAOYSA-N -1 1 383.416 1.265 20 0 GDADMM COc1ccc(C[C@@H](C)NC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1OC ZINC000821787204 606158729 /nfs/dbraw/zinc/15/87/29/606158729.db2.gz QAPWMOYSARKEKG-SNVBAGLBSA-N -1 1 386.416 1.370 20 0 GDADMM COc1ccc(C[C@@H](C)NC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1OC ZINC000821787204 606158731 /nfs/dbraw/zinc/15/87/31/606158731.db2.gz QAPWMOYSARKEKG-SNVBAGLBSA-N -1 1 386.416 1.370 20 0 GDADMM Cc1ccccc1C1(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)CCOCC1 ZINC000822352408 606165863 /nfs/dbraw/zinc/16/58/63/606165863.db2.gz YVTKNORBXRAMSS-UHFFFAOYSA-N -1 1 396.455 1.779 20 0 GDADMM Cc1ccccc1C1(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)CCOCC1 ZINC000822352408 606165864 /nfs/dbraw/zinc/16/58/64/606165864.db2.gz YVTKNORBXRAMSS-UHFFFAOYSA-N -1 1 396.455 1.779 20 0 GDADMM NC(=O)c1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])nn1-c1ccccc1 ZINC000822879852 606195892 /nfs/dbraw/zinc/19/58/92/606195892.db2.gz HRDFAGVZRCZVMC-UHFFFAOYSA-N -1 1 390.363 1.109 20 0 GDADMM COc1ccc(C(=O)N(C)c2snc(C)c2-c2nnn[n-]2)c(OC)c1OC ZINC000821770433 606236725 /nfs/dbraw/zinc/23/67/25/606236725.db2.gz TYVCKZJIWBFKFP-UHFFFAOYSA-N -1 1 390.425 1.934 20 0 GDADMM COc1ccc(C(=O)N(C)c2snc(C)c2-c2nn[n-]n2)c(OC)c1OC ZINC000821770433 606236728 /nfs/dbraw/zinc/23/67/28/606236728.db2.gz TYVCKZJIWBFKFP-UHFFFAOYSA-N -1 1 390.425 1.934 20 0 GDADMM CC(C)OCCOC[C@@H](O)CN(C)c1c2ccccc2nnc1-c1nnn[n-]1 ZINC000820145624 606238834 /nfs/dbraw/zinc/23/88/34/606238834.db2.gz CHARASOXZKXLKQ-ZDUSSCGKSA-N -1 1 387.444 1.049 20 0 GDADMM CC(C)OCCOC[C@@H](O)CN(C)c1c2ccccc2nnc1-c1nn[n-]n1 ZINC000820145624 606238835 /nfs/dbraw/zinc/23/88/35/606238835.db2.gz CHARASOXZKXLKQ-ZDUSSCGKSA-N -1 1 387.444 1.049 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000823289823 606292417 /nfs/dbraw/zinc/29/24/17/606292417.db2.gz PHGOROCYVZNACV-CQSZACIVSA-N -1 1 378.392 1.560 20 0 GDADMM CC1CCC(N2C[C@H](C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])CC2=O)CC1 ZINC000820690533 606296300 /nfs/dbraw/zinc/29/63/00/606296300.db2.gz NPPSYZHKMCKLHB-HRDQMINSSA-N -1 1 384.440 1.938 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cccc(CN2CCOCC2)c1 ZINC000823294858 606296425 /nfs/dbraw/zinc/29/64/25/606296425.db2.gz UYISKEVQJAQVCI-UHFFFAOYSA-N -1 1 380.408 1.657 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)N[C@H]2CCCN(C)C2=O)c1-c1nn[n-]n1 ZINC000821988244 606326953 /nfs/dbraw/zinc/32/69/53/606326953.db2.gz DHYXQWYOCCNHCG-NSHDSACASA-N -1 1 387.469 1.212 20 0 GDADMM CC[C@@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)Oc1cccc(C)c1 ZINC000820907508 606435250 /nfs/dbraw/zinc/43/52/50/606435250.db2.gz DNELMVGKKCBQDE-ZDUSSCGKSA-N -1 1 388.453 1.706 20 0 GDADMM CC[C@@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)Oc1cccc(C)c1 ZINC000820907508 606435252 /nfs/dbraw/zinc/43/52/52/606435252.db2.gz DNELMVGKKCBQDE-ZDUSSCGKSA-N -1 1 388.453 1.706 20 0 GDADMM CC1(CNC(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)CCC1 ZINC000820618956 606442968 /nfs/dbraw/zinc/44/29/68/606442968.db2.gz UPFNOKIHIVKSOL-UHFFFAOYSA-N -1 1 386.460 1.754 20 0 GDADMM C[C@H]1CN(S(C)(=O)=O)CC[C@H]1Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000820770194 606473400 /nfs/dbraw/zinc/47/34/00/606473400.db2.gz ZKPLKJSIYNMJSV-NKWVEPMBSA-N -1 1 377.883 1.059 20 0 GDADMM C[C@H]1CN(S(C)(=O)=O)CC[C@H]1Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000820770194 606473402 /nfs/dbraw/zinc/47/34/02/606473402.db2.gz ZKPLKJSIYNMJSV-NKWVEPMBSA-N -1 1 377.883 1.059 20 0 GDADMM COC(=O)c1cc(OC(=O)c2ccc(-c3nnn[n-]3)s2)cc(C(=O)OC)c1 ZINC000821667818 606490454 /nfs/dbraw/zinc/49/04/54/606490454.db2.gz BMRWTQKBOGTXJG-UHFFFAOYSA-N -1 1 388.361 1.721 20 0 GDADMM COC(=O)c1cc(OC(=O)c2ccc(-c3nn[n-]n3)s2)cc(C(=O)OC)c1 ZINC000821667818 606490455 /nfs/dbraw/zinc/49/04/55/606490455.db2.gz BMRWTQKBOGTXJG-UHFFFAOYSA-N -1 1 388.361 1.721 20 0 GDADMM COC(=O)COc1c(C)cc(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)cc1C ZINC000821662890 606524638 /nfs/dbraw/zinc/52/46/38/606524638.db2.gz YHRISCURTWFZBD-UHFFFAOYSA-N -1 1 385.384 1.021 20 0 GDADMM COC(=O)COc1c(C)cc(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)cc1C ZINC000821662890 606524639 /nfs/dbraw/zinc/52/46/39/606524639.db2.gz YHRISCURTWFZBD-UHFFFAOYSA-N -1 1 385.384 1.021 20 0 GDADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1noc(Cc2ccccc2)n1 ZINC000820390567 606545568 /nfs/dbraw/zinc/54/55/68/606545568.db2.gz IMPWMDASLMDOKK-LLVKDONJSA-N -1 1 376.380 1.727 20 0 GDADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1noc(Cc2ccccc2)n1 ZINC000820390567 606545570 /nfs/dbraw/zinc/54/55/70/606545570.db2.gz IMPWMDASLMDOKK-LLVKDONJSA-N -1 1 376.380 1.727 20 0 GDADMM Cc1nc(CN2CCCN(C(=O)c3ccc(-c4nnn[n-]4)s3)CC2)oc1C ZINC000822441435 606553533 /nfs/dbraw/zinc/55/35/33/606553533.db2.gz ZNNAJOIJKCUGTN-UHFFFAOYSA-N -1 1 387.469 1.881 20 0 GDADMM Cc1nc(CN2CCCN(C(=O)c3ccc(-c4nn[n-]n4)s3)CC2)oc1C ZINC000822441435 606553535 /nfs/dbraw/zinc/55/35/35/606553535.db2.gz ZNNAJOIJKCUGTN-UHFFFAOYSA-N -1 1 387.469 1.881 20 0 GDADMM Cc1cc(C)c(NC(=O)CN(C)C(=O)Nc2nn(C)cc2-c2nnn[n-]2)c(C)c1 ZINC000822194091 606596179 /nfs/dbraw/zinc/59/61/79/606596179.db2.gz IEMJSOMIYQGRQA-UHFFFAOYSA-N -1 1 397.443 1.628 20 0 GDADMM Cc1cc(C)c(NC(=O)CN(C)C(=O)Nc2nn(C)cc2-c2nn[n-]n2)c(C)c1 ZINC000822194091 606596181 /nfs/dbraw/zinc/59/61/81/606596181.db2.gz IEMJSOMIYQGRQA-UHFFFAOYSA-N -1 1 397.443 1.628 20 0 GDADMM CO[C@H]1C[C@H](NC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)C1(C)C ZINC000821678434 606605269 /nfs/dbraw/zinc/60/52/69/606605269.db2.gz NSKMYPTWMOZFPY-GJZGRUSLSA-N -1 1 398.471 1.389 20 0 GDADMM CO[C@H]1C[C@H](NC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)C1(C)C ZINC000821678434 606605270 /nfs/dbraw/zinc/60/52/70/606605270.db2.gz NSKMYPTWMOZFPY-GJZGRUSLSA-N -1 1 398.471 1.389 20 0 GDADMM CC1(C(=O)N2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)CCC1 ZINC000820577304 606625744 /nfs/dbraw/zinc/62/57/44/606625744.db2.gz NUBDLEMKBYPPGV-UHFFFAOYSA-N -1 1 383.412 1.954 20 0 GDADMM Cc1nn(-c2ccccc2)c(COC(=O)c2cnn(C)c2N)c1-c1nn[n-]n1 ZINC000822486360 606643757 /nfs/dbraw/zinc/64/37/57/606643757.db2.gz HNRZMQJMEDHIDP-UHFFFAOYSA-N -1 1 379.384 1.034 20 0 GDADMM Cc1cccc([C@@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C(C)(C)C)c1 ZINC000822288633 606643787 /nfs/dbraw/zinc/64/37/87/606643787.db2.gz DOVDYMWRIGPWGT-CQSZACIVSA-N -1 1 383.456 1.772 20 0 GDADMM O=C(Cc1csc(N2CCCC2=O)n1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823118709 606649633 /nfs/dbraw/zinc/64/96/33/606649633.db2.gz NKKCKISHJHYRMV-UHFFFAOYSA-N -1 1 385.409 1.131 20 0 GDADMM O=C(Cc1csc(N2CCCC2=O)n1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823118709 606649634 /nfs/dbraw/zinc/64/96/34/606649634.db2.gz NKKCKISHJHYRMV-UHFFFAOYSA-N -1 1 385.409 1.131 20 0 GDADMM C[C@@]1(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)CCCN1C(=O)c1ccccc1 ZINC000820577205 606651852 /nfs/dbraw/zinc/65/18/52/606651852.db2.gz MXCXGIOJPNIYMM-FQEVSTJZSA-N -1 1 392.419 2.000 20 0 GDADMM C[C@@]1(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)CCCN1C(=O)c1ccccc1 ZINC000820577205 606651853 /nfs/dbraw/zinc/65/18/53/606651853.db2.gz MXCXGIOJPNIYMM-FQEVSTJZSA-N -1 1 392.419 2.000 20 0 GDADMM COC(=O)[C@H](C)[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccccc1 ZINC000821638761 606658202 /nfs/dbraw/zinc/65/82/02/606658202.db2.gz HPQGROUPAGKUOP-MFKMUULPSA-N -1 1 384.400 1.272 20 0 GDADMM COC(=O)[C@H](C)[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccccc1 ZINC000821638761 606658203 /nfs/dbraw/zinc/65/82/03/606658203.db2.gz HPQGROUPAGKUOP-MFKMUULPSA-N -1 1 384.400 1.272 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCO[C@H](c2cccs2)C1 ZINC000823600300 606738257 /nfs/dbraw/zinc/73/82/57/606738257.db2.gz FOKCEZPWGNNPFY-ZDUSSCGKSA-N -1 1 395.441 1.830 20 0 GDADMM COCCC1(C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CCC1 ZINC000821686477 606767796 /nfs/dbraw/zinc/76/77/96/606767796.db2.gz RNYJXHWMZJXTDJ-UHFFFAOYSA-N -1 1 377.401 1.765 20 0 GDADMM Cc1ccc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cc1 ZINC000822248780 606768762 /nfs/dbraw/zinc/76/87/62/606768762.db2.gz NLSJQSBWVUWNCK-CYBMUJFWSA-N -1 1 379.428 1.708 20 0 GDADMM Cc1ccc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cc1 ZINC000822248780 606768763 /nfs/dbraw/zinc/76/87/63/606768763.db2.gz NLSJQSBWVUWNCK-CYBMUJFWSA-N -1 1 379.428 1.708 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1noc(C(C)(C)C)n1 ZINC000820803924 606783035 /nfs/dbraw/zinc/78/30/35/606783035.db2.gz JRZMMTCPXCXZLF-NSHDSACASA-N -1 1 384.448 1.048 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1noc(C(C)(C)C)n1 ZINC000820803924 606783037 /nfs/dbraw/zinc/78/30/37/606783037.db2.gz JRZMMTCPXCXZLF-NSHDSACASA-N -1 1 384.448 1.048 20 0 GDADMM COCc1nc(SCc2c(-c3nn[n-]n3)c(C)nn2-c2ccccc2)n[nH]1 ZINC000821696628 606787535 /nfs/dbraw/zinc/78/75/35/606787535.db2.gz JZRDPITWRZSKNP-UHFFFAOYSA-N -1 1 383.441 1.918 20 0 GDADMM O=C([C@@H]1CCSC1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000822917212 606792512 /nfs/dbraw/zinc/79/25/12/606792512.db2.gz PXTOMLXDVQUZFH-LLVKDONJSA-N -1 1 375.458 1.134 20 0 GDADMM Cc1cccc2ncnc(N3CCN(c4nccnc4-c4nnn[n-]4)C[C@H]3C)c12 ZINC000822340751 606809989 /nfs/dbraw/zinc/80/99/89/606809989.db2.gz GEMLUJDXKPJVAO-CYBMUJFWSA-N -1 1 388.439 1.623 20 0 GDADMM Cc1cccc2ncnc(N3CCN(c4nccnc4-c4nn[n-]n4)C[C@H]3C)c12 ZINC000822340751 606809991 /nfs/dbraw/zinc/80/99/91/606809991.db2.gz GEMLUJDXKPJVAO-CYBMUJFWSA-N -1 1 388.439 1.623 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@H]2COCC[C@@H]21 ZINC000822005174 606817242 /nfs/dbraw/zinc/81/72/42/606817242.db2.gz PBUSVIPJELZRNR-ZFWWWQNUSA-N -1 1 386.456 1.544 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000820778458 606825030 /nfs/dbraw/zinc/82/50/30/606825030.db2.gz XAOUFQQKXXNDPO-BMFZPTHFSA-N -1 1 396.499 1.910 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000820778458 606825032 /nfs/dbraw/zinc/82/50/32/606825032.db2.gz XAOUFQQKXXNDPO-BMFZPTHFSA-N -1 1 396.499 1.910 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cccc2cc[nH]c21 ZINC000820789220 606831346 /nfs/dbraw/zinc/83/13/46/606831346.db2.gz YEOBFXRUGOJHNF-LBPRGKRZSA-N -1 1 389.423 1.489 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cccc2cc[nH]c21 ZINC000820789220 606831348 /nfs/dbraw/zinc/83/13/48/606831348.db2.gz YEOBFXRUGOJHNF-LBPRGKRZSA-N -1 1 389.423 1.489 20 0 GDADMM CCOCCN1C(=O)N[C@H](c2ccc(-c3nnn[n-]3)o2)C(C(=O)OCC)=C1C ZINC000821378934 606849564 /nfs/dbraw/zinc/84/95/64/606849564.db2.gz XQRQZGSFVCDJAH-CQSZACIVSA-N -1 1 390.400 1.400 20 0 GDADMM CCOCCN1C(=O)N[C@H](c2ccc(-c3nn[n-]n3)o2)C(C(=O)OCC)=C1C ZINC000821378934 606849566 /nfs/dbraw/zinc/84/95/66/606849566.db2.gz XQRQZGSFVCDJAH-CQSZACIVSA-N -1 1 390.400 1.400 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C1(c2ccccc2)CC1 ZINC000820777388 606854973 /nfs/dbraw/zinc/85/49/73/606854973.db2.gz QYLLOQKFMWYJCV-AWEZNQCLSA-N -1 1 390.451 1.426 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C1(c2ccccc2)CC1 ZINC000820777388 606854975 /nfs/dbraw/zinc/85/49/75/606854975.db2.gz QYLLOQKFMWYJCV-AWEZNQCLSA-N -1 1 390.451 1.426 20 0 GDADMM CC(C)n1cc([C@@H](C)[N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)cn1 ZINC000820437954 606889592 /nfs/dbraw/zinc/88/95/92/606889592.db2.gz FAFOOJMHTQGFEY-SECBINFHSA-N -1 1 397.411 1.962 20 0 GDADMM O=S(=O)(N[C@H]1CC2(CCC2)Oc2ccccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000823573648 606898368 /nfs/dbraw/zinc/89/83/68/606898368.db2.gz YIKXNUYYLIHUKA-HNNXBMFYSA-N -1 1 398.448 1.987 20 0 GDADMM O=S(=O)(N[C@H]1CC2(CCC2)Oc2ccccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000823573648 606898369 /nfs/dbraw/zinc/89/83/69/606898369.db2.gz YIKXNUYYLIHUKA-HNNXBMFYSA-N -1 1 398.448 1.987 20 0 GDADMM CC(C)COc1ccc([C@@H](C)Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1 ZINC000820102705 606948672 /nfs/dbraw/zinc/94/86/72/606948672.db2.gz HPTOAJWICFGBIR-GFCCVEGCSA-N -1 1 399.455 1.472 20 0 GDADMM CC1(C)c2cc(C(=O)COC(=O)c3ccc(-c4nnn[n-]4)nc3)ccc2NC1=O ZINC000820577105 606949448 /nfs/dbraw/zinc/94/94/48/606949448.db2.gz KGXAVARPISDRAM-UHFFFAOYSA-N -1 1 392.375 1.531 20 0 GDADMM CC1(C)c2cc(C(=O)COC(=O)c3ccc(-c4nn[n-]n4)nc3)ccc2NC1=O ZINC000820577105 606949449 /nfs/dbraw/zinc/94/94/49/606949449.db2.gz KGXAVARPISDRAM-UHFFFAOYSA-N -1 1 392.375 1.531 20 0 GDADMM O=C(C[C@H]1COCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccs1 ZINC000822945700 606953933 /nfs/dbraw/zinc/95/39/33/606953933.db2.gz OBPVEZSITYBQFP-LBPRGKRZSA-N -1 1 384.421 1.437 20 0 GDADMM O=C(C[C@H]1COCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccs1 ZINC000822945700 606953934 /nfs/dbraw/zinc/95/39/34/606953934.db2.gz OBPVEZSITYBQFP-LBPRGKRZSA-N -1 1 384.421 1.437 20 0 GDADMM O=C(CN1C(=S)N=NC1c1cccs1)Nc1ncc(-c2nnn[n-]2)s1 ZINC000823118945 607107136 /nfs/dbraw/zinc/10/71/36/607107136.db2.gz WPHZOXKHDBCXAX-UHFFFAOYSA-N -1 1 391.467 1.571 20 0 GDADMM O=C(CN1C(=S)N=NC1c1cccs1)Nc1ncc(-c2nn[n-]n2)s1 ZINC000823118945 607107138 /nfs/dbraw/zinc/10/71/38/607107138.db2.gz WPHZOXKHDBCXAX-UHFFFAOYSA-N -1 1 391.467 1.571 20 0 GDADMM Cc1nn(-c2ccccc2)c(COC(=O)C[C@@H]2COC(=O)C2)c1-c1nn[n-]n1 ZINC000822486620 607116848 /nfs/dbraw/zinc/11/68/48/607116848.db2.gz QMDVIRVPQJYLJE-GFCCVEGCSA-N -1 1 382.380 1.357 20 0 GDADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccccc1-n1cccn1 ZINC000820380453 607137282 /nfs/dbraw/zinc/13/72/82/607137282.db2.gz TWPFIZVYAYIKFP-NSHDSACASA-N -1 1 378.400 1.669 20 0 GDADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccccc1-n1cccn1 ZINC000820380453 607137283 /nfs/dbraw/zinc/13/72/83/607137283.db2.gz TWPFIZVYAYIKFP-NSHDSACASA-N -1 1 378.400 1.669 20 0 GDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000822903671 607147017 /nfs/dbraw/zinc/14/70/17/607147017.db2.gz NOQDFKKASQEZAV-UHFFFAOYSA-N -1 1 387.201 1.772 20 0 GDADMM Cc1cc(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)cn(C)c1=O ZINC000822010019 607168969 /nfs/dbraw/zinc/16/89/69/607168969.db2.gz KIWNPXPOBDKNTD-UHFFFAOYSA-N -1 1 383.412 1.163 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000823123230 607207646 /nfs/dbraw/zinc/20/76/46/607207646.db2.gz TWKUSTXEDAFQFZ-NSHDSACASA-N -1 1 379.384 1.006 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N(CCc1ccccc1)Cc1cccnc1 ZINC000823122521 607212780 /nfs/dbraw/zinc/21/27/80/607212780.db2.gz DWASAZIZDBKYJQ-UHFFFAOYSA-N -1 1 389.423 1.125 20 0 GDADMM Cc1cc(C)cc(-c2nnc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)s2)c1 ZINC000822196796 607217408 /nfs/dbraw/zinc/21/74/08/607217408.db2.gz XEJLWOAGZAJJAV-UHFFFAOYSA-N -1 1 382.413 1.232 20 0 GDADMM Cc1cc(OCc2ccccc2)ccc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822211949 607217420 /nfs/dbraw/zinc/21/74/20/607217420.db2.gz VHVGCOOQRCWBLT-UHFFFAOYSA-N -1 1 390.407 1.984 20 0 GDADMM Cc1ccc(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)c(OCC(F)(F)F)c1 ZINC000822237239 607222176 /nfs/dbraw/zinc/22/21/76/607222176.db2.gz LARDAVDBZZYOCY-UHFFFAOYSA-N -1 1 396.333 1.024 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H](c1ccccc1)c1cccc(F)c1 ZINC000823126045 607223235 /nfs/dbraw/zinc/22/32/35/607223235.db2.gz GEGINCABZCFYGZ-MRXNPFEDSA-N -1 1 378.371 1.503 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)NC[C@@H]2COC(C)(C)O2)c1-c1nn[n-]n1 ZINC000821990285 607223794 /nfs/dbraw/zinc/22/37/94/607223794.db2.gz QQZLHGLDJWUITF-SNVBAGLBSA-N -1 1 390.469 1.742 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)n1 ZINC000826357305 607804174 /nfs/dbraw/zinc/80/41/74/607804174.db2.gz ZVKACHGQIGTMNJ-DOMZBBRYSA-N -1 1 382.428 1.890 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)n1 ZINC000826357305 607804175 /nfs/dbraw/zinc/80/41/75/607804175.db2.gz ZVKACHGQIGTMNJ-DOMZBBRYSA-N -1 1 382.428 1.890 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000826232608 607824818 /nfs/dbraw/zinc/82/48/18/607824818.db2.gz ABJOGEFQOXLZQH-XKQJLSEDSA-N -1 1 398.467 1.591 20 0 GDADMM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(F)cc2-c2nn[nH]n2)cc1F ZINC000826462398 607847099 /nfs/dbraw/zinc/84/70/99/607847099.db2.gz XADIGNSAQYPYHE-UHFFFAOYSA-N -1 1 381.320 1.644 20 0 GDADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)NCCCN1CCCCCC1=O ZINC000826418503 607865530 /nfs/dbraw/zinc/86/55/30/607865530.db2.gz JYBRBUMPKVZRJE-UHFFFAOYSA-N -1 1 390.419 1.294 20 0 GDADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)NCCCN1CCCCCC1=O ZINC000826418503 607865531 /nfs/dbraw/zinc/86/55/31/607865531.db2.gz JYBRBUMPKVZRJE-UHFFFAOYSA-N -1 1 390.419 1.294 20 0 GDADMM Cc1cc(OC[C@@H](O)Cn2cnc(-c3nn[n-]n3)n2)c(C(C)C)cc1Cl ZINC000826271823 607869108 /nfs/dbraw/zinc/86/91/08/607869108.db2.gz JCVYXRQTJUXDMQ-NSHDSACASA-N -1 1 377.836 1.983 20 0 GDADMM CC(=O)Nc1ccc(OC[C@H](O)COc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000823999954 607874458 /nfs/dbraw/zinc/87/44/58/607874458.db2.gz OMZQAPFFIBUHAP-ZDUSSCGKSA-N -1 1 387.371 1.783 20 0 GDADMM CC(=O)Nc1ccc(OC[C@H](O)COc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000823999954 607874459 /nfs/dbraw/zinc/87/44/59/607874459.db2.gz OMZQAPFFIBUHAP-ZDUSSCGKSA-N -1 1 387.371 1.783 20 0 GDADMM O=C(CCNc1cccc(-c2nnn[n-]2)n1)N1CCN(c2ccccc2)CC1 ZINC000826408258 607898321 /nfs/dbraw/zinc/89/83/21/607898321.db2.gz XNNPDJNJJNZSAV-UHFFFAOYSA-N -1 1 378.440 1.413 20 0 GDADMM O=C(CCNc1cccc(-c2nn[n-]n2)n1)N1CCN(c2ccccc2)CC1 ZINC000826408258 607898322 /nfs/dbraw/zinc/89/83/22/607898322.db2.gz XNNPDJNJJNZSAV-UHFFFAOYSA-N -1 1 378.440 1.413 20 0 GDADMM O=C(CN1CCN(c2cccc(-c3nnn[n-]3)n2)CC1)Nc1ccc(Cl)cc1 ZINC000826411007 607905080 /nfs/dbraw/zinc/90/50/80/607905080.db2.gz HNZNIEXDNNEVDU-UHFFFAOYSA-N -1 1 398.858 1.676 20 0 GDADMM O=C(CN1CCN(c2cccc(-c3nn[n-]n3)n2)CC1)Nc1ccc(Cl)cc1 ZINC000826411007 607905081 /nfs/dbraw/zinc/90/50/81/607905081.db2.gz HNZNIEXDNNEVDU-UHFFFAOYSA-N -1 1 398.858 1.676 20 0 GDADMM CCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825717715 607997321 /nfs/dbraw/zinc/99/73/21/607997321.db2.gz OVOFUUVNVGZLCY-UHFFFAOYSA-N -1 1 387.421 1.791 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCC[C@@H]1CCCO ZINC000826328618 608015202 /nfs/dbraw/zinc/01/52/02/608015202.db2.gz XNRKVAWVAPPQAS-CQSZACIVSA-N -1 1 398.471 1.222 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCC[C@@H]1CCCO ZINC000826328618 608015203 /nfs/dbraw/zinc/01/52/03/608015203.db2.gz XNRKVAWVAPPQAS-CQSZACIVSA-N -1 1 398.471 1.222 20 0 GDADMM C[C@@H](NC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1)c1ccc[nH]1 ZINC000824491569 608024214 /nfs/dbraw/zinc/02/42/14/608024214.db2.gz VAOQYEVEHFDZTB-LLVKDONJSA-N -1 1 397.443 1.653 20 0 GDADMM Cc1nc(Cn2c(=O)c(-c3nn[n-]n3)cn(C)c2=O)oc1-c1ccc(Cl)cc1 ZINC000826327064 608095751 /nfs/dbraw/zinc/09/57/51/608095751.db2.gz QPRPZVSGVZEDRK-UHFFFAOYSA-N -1 1 399.798 1.392 20 0 GDADMM COc1cccc(-c2cc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)n(C)n2)c1 ZINC000826213862 608102142 /nfs/dbraw/zinc/10/21/42/608102142.db2.gz PHQSDDGOPUGJSH-UHFFFAOYSA-N -1 1 376.380 1.923 20 0 GDADMM COc1cccc(-c2cc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)n(C)n2)c1 ZINC000826213862 608102143 /nfs/dbraw/zinc/10/21/43/608102143.db2.gz PHQSDDGOPUGJSH-UHFFFAOYSA-N -1 1 376.380 1.923 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)O[C@@H](C)C(=O)OC(C)(C)C ZINC000826233154 608103543 /nfs/dbraw/zinc/10/35/43/608103543.db2.gz VVMHIRHQIISQLF-NSHDSACASA-N -1 1 391.428 1.790 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000826341170 608106941 /nfs/dbraw/zinc/10/69/41/608106941.db2.gz YWYRYVDSBNWEQN-RHSMWYFYSA-N -1 1 390.403 1.947 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000826341170 608106942 /nfs/dbraw/zinc/10/69/42/608106942.db2.gz YWYRYVDSBNWEQN-RHSMWYFYSA-N -1 1 390.403 1.947 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCC2(COC(=O)N2)CC1 ZINC000826341169 608124596 /nfs/dbraw/zinc/12/45/96/608124596.db2.gz YUPSHRYWSBAEFI-UHFFFAOYSA-N -1 1 397.395 1.273 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCC2(COC(=O)N2)CC1 ZINC000826341169 608124597 /nfs/dbraw/zinc/12/45/97/608124597.db2.gz YUPSHRYWSBAEFI-UHFFFAOYSA-N -1 1 397.395 1.273 20 0 GDADMM O=S(=O)(NCC[C@H]1CCOC1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826491191 608126034 /nfs/dbraw/zinc/12/60/34/608126034.db2.gz XLOKWPGQFAGGJE-VIFPVBQESA-N -1 1 391.375 1.590 20 0 GDADMM O=C(Cn1ccnc1-c1nnn[n-]1)NCc1cccc(COCc2ccco2)c1 ZINC000826425018 608147817 /nfs/dbraw/zinc/14/78/17/608147817.db2.gz MTZFEZMEDUNUMN-UHFFFAOYSA-N -1 1 393.407 1.689 20 0 GDADMM O=C(Cn1ccnc1-c1nn[n-]n1)NCc1cccc(COCc2ccco2)c1 ZINC000826425018 608147818 /nfs/dbraw/zinc/14/78/18/608147818.db2.gz MTZFEZMEDUNUMN-UHFFFAOYSA-N -1 1 393.407 1.689 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1nccc2ccccc21 ZINC000825934265 608211234 /nfs/dbraw/zinc/21/12/34/608211234.db2.gz LNJYBGWCNJFNFS-UHFFFAOYSA-N -1 1 377.412 1.425 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1nccc2ccccc21 ZINC000825934265 608211236 /nfs/dbraw/zinc/21/12/36/608211236.db2.gz LNJYBGWCNJFNFS-UHFFFAOYSA-N -1 1 377.412 1.425 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CCc1ccc(Cl)s1 ZINC000825923775 608211263 /nfs/dbraw/zinc/21/12/63/608211263.db2.gz VKOZSONLMNHZIO-UHFFFAOYSA-N -1 1 394.892 1.911 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CCc1ccc(Cl)s1 ZINC000825923775 608211264 /nfs/dbraw/zinc/21/12/64/608211264.db2.gz VKOZSONLMNHZIO-UHFFFAOYSA-N -1 1 394.892 1.911 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000825929091 608211459 /nfs/dbraw/zinc/21/14/59/608211459.db2.gz AARWPRDTCWJWJM-UHFFFAOYSA-N -1 1 397.418 1.426 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000825929091 608211461 /nfs/dbraw/zinc/21/14/61/608211461.db2.gz AARWPRDTCWJWJM-UHFFFAOYSA-N -1 1 397.418 1.426 20 0 GDADMM CC[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)[C@H](O)C(F)(F)F ZINC000825149314 608238388 /nfs/dbraw/zinc/23/83/88/608238388.db2.gz XIMRXBQZNHVUDN-XCBNKYQSSA-N -1 1 399.782 1.500 20 0 GDADMM CC[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)[C@@H](O)C(F)(F)F ZINC000825149313 608238537 /nfs/dbraw/zinc/23/85/37/608238537.db2.gz XIMRXBQZNHVUDN-OIBJUYFYSA-N -1 1 399.782 1.500 20 0 GDADMM O=S(=O)(N[C@@H](CO)c1ccc(Cl)cc1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826487041 608248296 /nfs/dbraw/zinc/24/82/96/608248296.db2.gz BBHFHAUKSPQROV-ZDUSSCGKSA-N -1 1 397.819 1.671 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H]1CCO[C@H](C(C)C)C1 ZINC000826232923 608249704 /nfs/dbraw/zinc/24/97/04/608249704.db2.gz NFGXBOIMQVSBPC-ZFWWWQNUSA-N -1 1 388.472 1.837 20 0 GDADMM Cn1cc([C@H](O)C[C@H]2CCCN2c2snc(Cl)c2-c2nnn[n-]2)cn1 ZINC000826359459 608301903 /nfs/dbraw/zinc/30/19/03/608301903.db2.gz HYBICZQCWVYNQM-NXEZZACHSA-N -1 1 380.865 1.803 20 0 GDADMM Cn1cc([C@H](O)C[C@H]2CCCN2c2snc(Cl)c2-c2nn[n-]n2)cn1 ZINC000826359459 608301905 /nfs/dbraw/zinc/30/19/05/608301905.db2.gz HYBICZQCWVYNQM-NXEZZACHSA-N -1 1 380.865 1.803 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N[C@@H]2C[C@H]2c2ccccc2)n1 ZINC000824142893 608351270 /nfs/dbraw/zinc/35/12/70/608351270.db2.gz ZKISMPQBWPWOFE-GXTWGEPZSA-N -1 1 394.439 1.429 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N[C@@H]2C[C@H]2c2ccccc2)n1 ZINC000824142893 608351271 /nfs/dbraw/zinc/35/12/71/608351271.db2.gz ZKISMPQBWPWOFE-GXTWGEPZSA-N -1 1 394.439 1.429 20 0 GDADMM CCCN(CC(C)C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825307576 608351677 /nfs/dbraw/zinc/35/16/77/608351677.db2.gz FTZFROJLZKOZJS-UHFFFAOYSA-N -1 1 376.465 1.651 20 0 GDADMM CCCN(CC(C)C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825307576 608351679 /nfs/dbraw/zinc/35/16/79/608351679.db2.gz FTZFROJLZKOZJS-UHFFFAOYSA-N -1 1 376.465 1.651 20 0 GDADMM Cc1ccsc1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826316730 608352402 /nfs/dbraw/zinc/35/24/02/608352402.db2.gz XDWQTUMDRBNANY-UHFFFAOYSA-N -1 1 388.457 1.443 20 0 GDADMM Cc1ccsc1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826316730 608352404 /nfs/dbraw/zinc/35/24/04/608352404.db2.gz XDWQTUMDRBNANY-UHFFFAOYSA-N -1 1 388.457 1.443 20 0 GDADMM C[C@@H]1SCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)[C@H]1C ZINC000825020790 608353404 /nfs/dbraw/zinc/35/34/04/608353404.db2.gz LUMVYBNHRUSSEW-UWVGGRQHSA-N -1 1 392.489 1.109 20 0 GDADMM C[C@@H]1SCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)[C@H]1C ZINC000825020790 608353406 /nfs/dbraw/zinc/35/34/06/608353406.db2.gz LUMVYBNHRUSSEW-UWVGGRQHSA-N -1 1 392.489 1.109 20 0 GDADMM CC[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000825193821 608354878 /nfs/dbraw/zinc/35/48/78/608354878.db2.gz NXWGXFQZVJAGEH-NWDGAFQWSA-N -1 1 388.476 1.842 20 0 GDADMM CC[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000825193821 608354880 /nfs/dbraw/zinc/35/48/80/608354880.db2.gz NXWGXFQZVJAGEH-NWDGAFQWSA-N -1 1 388.476 1.842 20 0 GDADMM O=C(NOC1CCCC1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000826450007 608427224 /nfs/dbraw/zinc/42/72/24/608427224.db2.gz SMZQJRMWLDSPGM-UHFFFAOYSA-N -1 1 388.432 1.438 20 0 GDADMM c1ccc2sc(CN3CCN(c4ccc(-c5nnn[n-]5)nn4)CC3)nc2c1 ZINC000826524081 608436632 /nfs/dbraw/zinc/43/66/32/608436632.db2.gz IUZVFIXFFAADOZ-UHFFFAOYSA-N -1 1 379.453 1.589 20 0 GDADMM c1ccc2sc(CN3CCN(c4ccc(-c5nn[n-]n5)nn4)CC3)nc2c1 ZINC000826524081 608436634 /nfs/dbraw/zinc/43/66/34/608436634.db2.gz IUZVFIXFFAADOZ-UHFFFAOYSA-N -1 1 379.453 1.589 20 0 GDADMM CCN1CCOC[C@H]1C(=O)OCc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000825466226 608456681 /nfs/dbraw/zinc/45/66/81/608456681.db2.gz XJZGDMMTGLIBCD-INIZCTEOSA-N -1 1 397.439 1.125 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)N[C@@H](CO)CC(C)C)c1-c1nn[n-]n1 ZINC000826231605 608472500 /nfs/dbraw/zinc/47/25/00/608472500.db2.gz RHZYGXSSOFRBKR-LLVKDONJSA-N -1 1 376.486 1.998 20 0 GDADMM CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(-c2nnn[n-]2)o1 ZINC000825395470 608498031 /nfs/dbraw/zinc/49/80/31/608498031.db2.gz PQGKUKCGEJEHKZ-UHFFFAOYSA-N -1 1 383.412 1.879 20 0 GDADMM CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(-c2nn[n-]n2)o1 ZINC000825395470 608498032 /nfs/dbraw/zinc/49/80/32/608498032.db2.gz PQGKUKCGEJEHKZ-UHFFFAOYSA-N -1 1 383.412 1.879 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C=Cc1ccnc(Cl)c1 ZINC000825923563 608556591 /nfs/dbraw/zinc/55/65/91/608556591.db2.gz MFWDTQCXBHPOJG-PLNGDYQASA-N -1 1 387.835 1.325 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C=Cc1ccnc(Cl)c1 ZINC000825923563 608556593 /nfs/dbraw/zinc/55/65/93/608556593.db2.gz MFWDTQCXBHPOJG-PLNGDYQASA-N -1 1 387.835 1.325 20 0 GDADMM CC(=O)[C@H](C)CCCCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000823962609 608557567 /nfs/dbraw/zinc/55/75/67/608557567.db2.gz MQGGONPBBDCBKZ-LLVKDONJSA-N -1 1 376.465 1.349 20 0 GDADMM CC(=O)[C@H](C)CCCCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000823962609 608557568 /nfs/dbraw/zinc/55/75/68/608557568.db2.gz MQGGONPBBDCBKZ-LLVKDONJSA-N -1 1 376.465 1.349 20 0 GDADMM CCN1CCOC[C@H]1C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000825465821 608572072 /nfs/dbraw/zinc/57/20/72/608572072.db2.gz ROCDHRZHDNIBBC-HNNXBMFYSA-N -1 1 398.492 1.932 20 0 GDADMM Cc1ccccc1O[C@H](C)C(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000826307717 608716728 /nfs/dbraw/zinc/71/67/28/608716728.db2.gz UHZXNOQDKBDVOQ-OAHLLOKOSA-N -1 1 396.451 1.880 20 0 GDADMM Cc1ccccc1O[C@H](C)C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000826307717 608716732 /nfs/dbraw/zinc/71/67/32/608716732.db2.gz UHZXNOQDKBDVOQ-OAHLLOKOSA-N -1 1 396.451 1.880 20 0 GDADMM Cc1cccc(O[C@H](C)C(=O)N2CCN(Cc3ccc(-c4nnn[n-]4)o3)CC2)c1 ZINC000826300517 608717548 /nfs/dbraw/zinc/71/75/48/608717548.db2.gz XWGCEFXWVXPUCW-OAHLLOKOSA-N -1 1 396.451 1.880 20 0 GDADMM Cc1cccc(O[C@H](C)C(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)o3)CC2)c1 ZINC000826300517 608717550 /nfs/dbraw/zinc/71/75/50/608717550.db2.gz XWGCEFXWVXPUCW-OAHLLOKOSA-N -1 1 396.451 1.880 20 0 GDADMM CCOc1cccc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)n1 ZINC000825649714 608839370 /nfs/dbraw/zinc/83/93/70/608839370.db2.gz VTPFLQKAROPCFY-ZDUSSCGKSA-N -1 1 381.444 1.161 20 0 GDADMM CCOc1cccc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)n1 ZINC000825649714 608839373 /nfs/dbraw/zinc/83/93/73/608839373.db2.gz VTPFLQKAROPCFY-ZDUSSCGKSA-N -1 1 381.444 1.161 20 0 GDADMM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)o2)CCO1 ZINC000824505682 608842323 /nfs/dbraw/zinc/84/23/23/608842323.db2.gz HAPUIAPPDWECTG-FZMZJTMJSA-N -1 1 378.433 1.574 20 0 GDADMM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)o2)CCO1 ZINC000824505682 608842327 /nfs/dbraw/zinc/84/23/27/608842327.db2.gz HAPUIAPPDWECTG-FZMZJTMJSA-N -1 1 378.433 1.574 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1cnc2c(c1)COCC2 ZINC000826233020 609237519 /nfs/dbraw/zinc/23/75/19/609237519.db2.gz QRUHJZOQJLSLDN-UHFFFAOYSA-N -1 1 395.423 1.623 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1cnn(-c2cccc(Cl)c2)n1 ZINC000826466996 609248351 /nfs/dbraw/zinc/24/83/51/609248351.db2.gz CHYTYXSTLCCUSB-UHFFFAOYSA-N -1 1 382.771 1.853 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1cnn(-c2cccc(Cl)c2)n1 ZINC000826466996 609248354 /nfs/dbraw/zinc/24/83/54/609248354.db2.gz CHYTYXSTLCCUSB-UHFFFAOYSA-N -1 1 382.771 1.853 20 0 GDADMM Cc1cc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cnc1N1CCCC[C@H]1C ZINC000826270407 609264512 /nfs/dbraw/zinc/26/45/12/609264512.db2.gz ZAOTYRHVFMXAAG-GFCCVEGCSA-N -1 1 382.432 1.179 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc2nc(-c3ccccn3)oc2c1 ZINC000826425712 609266446 /nfs/dbraw/zinc/26/64/46/609266446.db2.gz PTBXBWGQMCAXMX-UHFFFAOYSA-N -1 1 388.351 1.300 20 0 GDADMM CC(=O)N1CCCC[C@@H]1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000823982183 609286400 /nfs/dbraw/zinc/28/64/00/609286400.db2.gz WIDRJCBYKVVNDJ-CQSZACIVSA-N -1 1 398.402 1.531 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1cnn2c1CCCC2 ZINC000826458973 609290204 /nfs/dbraw/zinc/29/02/04/609290204.db2.gz OVIJGUGZYQVVKI-UHFFFAOYSA-N -1 1 393.386 1.977 20 0 GDADMM CCn1cc(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cn1 ZINC000825800029 609290693 /nfs/dbraw/zinc/29/06/93/609290693.db2.gz ZYOXQWQTHNQPKF-UHFFFAOYSA-N -1 1 395.358 1.229 20 0 GDADMM COC(=O)[C@H]1CCCCCN1CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000826132676 609295029 /nfs/dbraw/zinc/29/50/29/609295029.db2.gz GBWMKTKIMDWSNS-GFCCVEGCSA-N -1 1 376.417 1.433 20 0 GDADMM CCC[C@](C)(NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)C(=O)OC ZINC000825232196 609297915 /nfs/dbraw/zinc/29/79/15/609297915.db2.gz DYKLUUFHDHVYDB-HNNXBMFYSA-N -1 1 380.430 1.151 20 0 GDADMM CC[C@@H](CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccccc1 ZINC000825121464 609298340 /nfs/dbraw/zinc/29/83/40/609298340.db2.gz RPRASGSQJDJDSK-ZDUSSCGKSA-N -1 1 397.487 1.940 20 0 GDADMM CC[C@@H](CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccccc1 ZINC000825121464 609298342 /nfs/dbraw/zinc/29/83/42/609298342.db2.gz RPRASGSQJDJDSK-ZDUSSCGKSA-N -1 1 397.487 1.940 20 0 GDADMM Cc1ccc([C@H](C)NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000826283268 609301104 /nfs/dbraw/zinc/30/11/04/609301104.db2.gz NSEFSOQXBFWQAA-LBPRGKRZSA-N -1 1 383.460 1.816 20 0 GDADMM Cc1ccc([C@H](C)NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000826283268 609301106 /nfs/dbraw/zinc/30/11/06/609301106.db2.gz NSEFSOQXBFWQAA-LBPRGKRZSA-N -1 1 383.460 1.816 20 0 GDADMM Cc1ccccc1OCCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826307586 609301639 /nfs/dbraw/zinc/30/16/39/609301639.db2.gz OKHBNZHEHUSILH-UHFFFAOYSA-N -1 1 399.459 1.133 20 0 GDADMM Cc1ccccc1OCCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826307586 609301640 /nfs/dbraw/zinc/30/16/40/609301640.db2.gz OKHBNZHEHUSILH-UHFFFAOYSA-N -1 1 399.459 1.133 20 0 GDADMM C[C@H]1CCC[C@@H](CCNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1 ZINC000824925029 609301849 /nfs/dbraw/zinc/30/18/49/609301849.db2.gz AHQMYPZGNVFKMP-STQMWFEESA-N -1 1 389.508 1.962 20 0 GDADMM C[C@H]1CCC[C@@H](CCNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C1 ZINC000824925029 609301852 /nfs/dbraw/zinc/30/18/52/609301852.db2.gz AHQMYPZGNVFKMP-STQMWFEESA-N -1 1 389.508 1.962 20 0 GDADMM CCC[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccccn1 ZINC000825242694 609302229 /nfs/dbraw/zinc/30/22/29/609302229.db2.gz YTKXKUVPMIEDOY-ZDUSSCGKSA-N -1 1 398.475 1.682 20 0 GDADMM CCC[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccccn1 ZINC000825242694 609302231 /nfs/dbraw/zinc/30/22/31/609302231.db2.gz YTKXKUVPMIEDOY-ZDUSSCGKSA-N -1 1 398.475 1.682 20 0 GDADMM C[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1cccc(O)c1 ZINC000824490906 609302271 /nfs/dbraw/zinc/30/22/71/609302271.db2.gz QZDUXIWOPRPBJK-JTQLQIEISA-N -1 1 385.432 1.213 20 0 GDADMM C[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1cccc(O)c1 ZINC000824490906 609302272 /nfs/dbraw/zinc/30/22/72/609302272.db2.gz QZDUXIWOPRPBJK-JTQLQIEISA-N -1 1 385.432 1.213 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@H]1CCc2ccc(F)cc21 ZINC000825929506 609302654 /nfs/dbraw/zinc/30/26/54/609302654.db2.gz GYXYPMJZQRFPHC-ZDUSSCGKSA-N -1 1 399.434 1.573 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@H]1CCc2ccc(F)cc21 ZINC000825929506 609302656 /nfs/dbraw/zinc/30/26/56/609302656.db2.gz GYXYPMJZQRFPHC-ZDUSSCGKSA-N -1 1 399.434 1.573 20 0 GDADMM C[C@@H]1CCCCN1C(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824938852 609353849 /nfs/dbraw/zinc/35/38/49/609353849.db2.gz WNYWYJWGICJFQS-LLVKDONJSA-N -1 1 398.402 1.531 20 0 GDADMM CC(C)OC(=O)CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824309416 609355578 /nfs/dbraw/zinc/35/55/78/609355578.db2.gz NSODYDUZGYIKKK-UHFFFAOYSA-N -1 1 388.363 1.265 20 0 GDADMM O=C(NC[C@@H]1CCCCO1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826435781 609357102 /nfs/dbraw/zinc/35/71/02/609357102.db2.gz XMFVTJHXNJLBQG-NSHDSACASA-N -1 1 386.391 1.882 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N[C@H]1CCCOCC1 ZINC000826458479 609359722 /nfs/dbraw/zinc/35/97/22/609359722.db2.gz RKAQHPLYWKIASO-NSHDSACASA-N -1 1 386.391 1.882 20 0 GDADMM Cc1noc([C@H](C)NC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)n1 ZINC000826337850 609364507 /nfs/dbraw/zinc/36/45/07/609364507.db2.gz CGCVHEYDNCMJOW-QMMMGPOBSA-N -1 1 398.362 1.766 20 0 GDADMM CC(C)[C@@H]1CN(CC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)CCO1 ZINC000824223394 609372569 /nfs/dbraw/zinc/37/25/69/609372569.db2.gz HTQGUKFNCOXHAY-INIZCTEOSA-N -1 1 396.455 1.348 20 0 GDADMM CC(C)[C@@H]1CN(CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)CCO1 ZINC000824223394 609372571 /nfs/dbraw/zinc/37/25/71/609372571.db2.gz HTQGUKFNCOXHAY-INIZCTEOSA-N -1 1 396.455 1.348 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CC[C@H](C)[C@H](F)C1 ZINC000826327582 609402090 /nfs/dbraw/zinc/40/20/90/609402090.db2.gz MWUBKDLOBAWWEV-ZUZCIYMTSA-N -1 1 386.435 1.665 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CC[C@H](C)[C@H](F)C1 ZINC000826327582 609402092 /nfs/dbraw/zinc/40/20/92/609402092.db2.gz MWUBKDLOBAWWEV-ZUZCIYMTSA-N -1 1 386.435 1.665 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N(C)C[C@@H]2CCCC[C@@H]2O)cc1-c1nn[n-]n1 ZINC000826229771 609405060 /nfs/dbraw/zinc/40/50/60/609405060.db2.gz QUFJYQRQSBRIHM-CABZTGNLSA-N -1 1 378.458 1.312 20 0 GDADMM CCN(Cc1cn(C)nn1)C(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000825439885 609410288 /nfs/dbraw/zinc/41/02/88/609410288.db2.gz SBEKMANVLSPWHN-UHFFFAOYSA-N -1 1 381.400 1.350 20 0 GDADMM CCN(Cc1cn(C)nn1)C(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000825439885 609410290 /nfs/dbraw/zinc/41/02/90/609410290.db2.gz SBEKMANVLSPWHN-UHFFFAOYSA-N -1 1 381.400 1.350 20 0 GDADMM O=S(=O)(Nc1ccccc1)[C@H]1CCCN(Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC000826493033 609410991 /nfs/dbraw/zinc/41/09/91/609410991.db2.gz PNHJTTNSSWJTEB-HNNXBMFYSA-N -1 1 388.453 1.866 20 0 GDADMM O=S(=O)(NC1CCCC1)[C@@H]1CCCN(Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC000826488791 609411126 /nfs/dbraw/zinc/41/11/26/609411126.db2.gz ZIAJPKYVBZMSSZ-CQSZACIVSA-N -1 1 380.474 1.286 20 0 GDADMM CCCn1cc(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)cn1 ZINC000825357024 609412067 /nfs/dbraw/zinc/41/20/67/609412067.db2.gz VIMZYIRJJDPRMR-UHFFFAOYSA-N -1 1 397.443 1.301 20 0 GDADMM Cc1oc(NC(=O)CN[C@H](CO)c2c(F)cccc2F)c(-c2nn[n-]n2)c1C ZINC000826342017 609424905 /nfs/dbraw/zinc/42/49/05/609424905.db2.gz VTDKEDMCTWUFLZ-GFCCVEGCSA-N -1 1 392.366 1.616 20 0 GDADMM Cc1nc(S(=O)(=O)[N-]C[C@H]2C[C@@H](O)CN2Cc2ccccc2)sc1C ZINC000534821585 650231723 /nfs/dbraw/zinc/23/17/23/650231723.db2.gz YGCKZLHMZBXOJR-HZPDHXFCSA-N -1 1 381.523 1.674 20 0 GDADMM C[N-]S(=O)(=O)c1cc(C(=O)NCCNC(=O)c2ccccc2Cl)co1 ZINC000535893479 650259711 /nfs/dbraw/zinc/25/97/11/650259711.db2.gz QKVDDMUYKCMJNZ-UHFFFAOYSA-N -1 1 385.829 1.001 20 0 GDADMM Cc1nc(S[C@H](C(=O)N[C@]2(C)CCS(=O)(=O)C2)C(C)C)[n-]c(=O)c1C ZINC000537418523 650292266 /nfs/dbraw/zinc/29/22/66/650292266.db2.gz ZDKDGPKKXRTXSR-BLLLJJGKSA-N -1 1 387.527 1.609 20 0 GDADMM NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)cc1F ZINC000538938591 650325999 /nfs/dbraw/zinc/32/59/99/650325999.db2.gz RRMYTTOQBSCWSB-UHFFFAOYSA-N -1 1 386.426 1.599 20 0 GDADMM C[C@H]1C[C@H](C)CN(S(=O)(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)C1 ZINC000540214116 650352257 /nfs/dbraw/zinc/35/22/57/650352257.db2.gz XEWRISZTUGBRDI-QWRGUYRKSA-N -1 1 379.479 1.832 20 0 GDADMM C[C@H]1C[C@H](CCNS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CCO1 ZINC000542238173 650400806 /nfs/dbraw/zinc/40/08/06/650400806.db2.gz NHOKAYMNYVJRGS-NWDGAFQWSA-N -1 1 394.490 1.681 20 0 GDADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H](CO)c2cccc(Cl)c2F)c1 ZINC000542690820 650409957 /nfs/dbraw/zinc/40/99/57/650409957.db2.gz LTFQKUBTFYDFKR-NSHDSACASA-N -1 1 377.777 1.871 20 0 GDADMM COC(=O)[C@]1(NC(=O)c2ccc(I)c([O-])c2)CCOC1 ZINC000544830531 650446161 /nfs/dbraw/zinc/44/61/61/650446161.db2.gz CVELPHWLBAWHAY-ZDUSSCGKSA-N -1 1 391.161 1.059 20 0 GDADMM CCOC(=O)[C@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000545350711 650454612 /nfs/dbraw/zinc/45/46/12/650454612.db2.gz AYDDXOONCSWRPK-CABCVRRESA-N -1 1 375.874 1.913 20 0 GDADMM C[C@@H](CN1CCCC1=O)NC(=O)c1ccc(I)c([O-])c1 ZINC000545494122 650458627 /nfs/dbraw/zinc/45/86/27/650458627.db2.gz NJBIKAJBJXNDSR-VIFPVBQESA-N -1 1 388.205 1.738 20 0 GDADMM C[S@](=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000546540100 650478439 /nfs/dbraw/zinc/47/84/39/650478439.db2.gz GOVZDXUJSCWDDO-QHCPKHFHSA-N -1 1 399.515 1.696 20 0 GDADMM O=C([O-])[C@@H](Cc1cnc[nH]1)NS(=O)(=O)c1cc(Br)ccc1F ZINC000548208071 650535669 /nfs/dbraw/zinc/53/56/69/650535669.db2.gz RAFWEUGVFYJNJS-SNVBAGLBSA-N -1 1 392.206 1.286 20 0 GDADMM Cc1cnc(C[N-]S(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)s1 ZINC000548370096 650544380 /nfs/dbraw/zinc/54/43/80/650544380.db2.gz IIODLRHXYAFHEZ-UHFFFAOYSA-N -1 1 387.508 1.371 20 0 GDADMM COCC1(CCNS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CCC1 ZINC000549466528 650577767 /nfs/dbraw/zinc/57/77/67/650577767.db2.gz PCGXWYLWOLEIAL-UHFFFAOYSA-N -1 1 394.490 1.682 20 0 GDADMM Cn1cc(S(=O)(=O)[N-][C@H]2CCC[C@H](S(C)(=O)=O)C2)c(C(F)(F)F)n1 ZINC000549775232 650582720 /nfs/dbraw/zinc/58/27/20/650582720.db2.gz ZPTKWZMONZUYQI-IUCAKERBSA-N -1 1 389.421 1.073 20 0 GDADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC[C@H](C)OC)c(OC)c1 ZINC000551243371 650602689 /nfs/dbraw/zinc/60/26/89/650602689.db2.gz MYCHXMRXTXDKMW-LBPRGKRZSA-N -1 1 394.515 1.550 20 0 GDADMM CC[C@H]([N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1OC)C(F)(F)F ZINC000554886636 650682756 /nfs/dbraw/zinc/68/27/56/650682756.db2.gz BOXGJSXOFLONDA-NSHDSACASA-N -1 1 375.390 1.718 20 0 GDADMM C[C@@H]1OCC[C@@H]1S(=O)(=O)[N-][C@H]1CN(c2ccc(Br)cc2)C1=O ZINC000555575419 650694047 /nfs/dbraw/zinc/69/40/47/650694047.db2.gz VJXSQSSXNKEGSD-XDTLVQLUSA-N -1 1 389.271 1.261 20 0 GDADMM Cc1nc2c(n1CCO)CC[C@@H](NC(=O)c1cc(Br)ccc1[O-])C2 ZINC000556832601 650713105 /nfs/dbraw/zinc/71/31/05/650713105.db2.gz LRFCHPPUHCRIOA-GFCCVEGCSA-N -1 1 394.269 1.939 20 0 GDADMM C[C@@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC1CCC1)C(C)(F)F ZINC000565229514 650786449 /nfs/dbraw/zinc/78/64/49/650786449.db2.gz ILWNDAPTWMPFPV-SNVBAGLBSA-N -1 1 382.454 1.839 20 0 GDADMM O=C([O-])c1cn(CCCCNS(=O)(=O)c2c(F)cc(F)cc2F)nn1 ZINC000565350700 650793157 /nfs/dbraw/zinc/79/31/57/650793157.db2.gz PZXFBOLIDZPPNZ-UHFFFAOYSA-N -1 1 378.332 1.152 20 0 GDADMM COC(=O)c1c2c(sc1NC=C1C(=O)[N-]C(=S)NC1=O)CCCCC2 ZINC000028976110 644298813 /nfs/dbraw/zinc/29/88/13/644298813.db2.gz BQJDVSYOFSXLLZ-UHFFFAOYSA-N -1 1 379.463 1.630 20 0 GDADMM COC(=O)[C@@H](F)C[N-]S(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000916260420 660189832 /nfs/dbraw/zinc/18/98/32/660189832.db2.gz IGNPVXWHLVXWJB-VIFPVBQESA-N -1 1 398.206 1.108 20 0 GDADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCNc2ncnc3sccc32)o1 ZINC000053018470 644441520 /nfs/dbraw/zinc/44/15/20/644441520.db2.gz OIBMJDWXVNMWDX-UHFFFAOYSA-N -1 1 381.439 1.034 20 0 GDADMM CC(=O)Nc1ccc(F)c(C(=O)[N-]NC(=O)c2cc(Br)cn2C)c1 ZINC000053156373 644443086 /nfs/dbraw/zinc/44/30/86/644443086.db2.gz XHFXINPEDDLVGN-UHFFFAOYSA-N -1 1 397.204 1.960 20 0 GDADMM CC(C)C1CCC(NS(=O)(=O)CCCS(=O)(=O)[N-]c2c[nH]cn2)CC1 ZINC000568108921 650937750 /nfs/dbraw/zinc/93/77/50/650937750.db2.gz SCFAEHCWXQEJMO-UHFFFAOYSA-N -1 1 392.547 1.676 20 0 GDADMM Cn1cnc(S(=O)(=O)[N-]CC(=O)OCc2ccccc2Cl)c1Cl ZINC000113305176 644639007 /nfs/dbraw/zinc/63/90/07/644639007.db2.gz DGAORZQUTHQXPJ-UHFFFAOYSA-N -1 1 378.237 1.749 20 0 GDADMM C[C@@H]1CN(CCC(=O)N[N-]C(=O)c2ccc(Br)s2)C[C@H](C)O1 ZINC000122480373 644688465 /nfs/dbraw/zinc/68/84/65/644688465.db2.gz BGRVVUSDWWPZHJ-AOOOYVTPSA-N -1 1 390.303 1.771 20 0 GDADMM C[C@@H]1CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2c[nH]cn2)C[C@@H](C)S1 ZINC000568253125 650944890 /nfs/dbraw/zinc/94/48/90/650944890.db2.gz FPZUEMAZUJGJHN-VXGBXAGGSA-N -1 1 396.560 1.087 20 0 GDADMM 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COC[C@](C)(O)C[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000914158273 660121839 /nfs/dbraw/zinc/12/18/39/660121839.db2.gz MCFHUKNZZPGKFQ-GFCCVEGCSA-N -1 1 386.239 1.273 20 0 GDADMM CC[C@H]([N-]S(=O)(=O)c1c(Br)ccc(OC)c1F)C(=O)OC ZINC000914235224 660130381 /nfs/dbraw/zinc/13/03/81/660130381.db2.gz PQXQRBLYZRQCNR-QMMMGPOBSA-N -1 1 384.223 1.827 20 0 GDADMM CNC(=O)[C@H]([N-]S(=O)(=O)c1c(Br)ccc(OC)c1F)C(C)C ZINC000914272050 660134455 /nfs/dbraw/zinc/13/44/55/660134455.db2.gz QOCBLMWXHNHXTC-LLVKDONJSA-N -1 1 397.266 1.646 20 0 GDADMM COC(=O)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cnn2c1OCC(C)(C)C2 ZINC000914375918 660144218 /nfs/dbraw/zinc/14/42/18/660144218.db2.gz OVDQCKJOTFXMPG-QMMMGPOBSA-N -1 1 385.364 1.074 20 0 GDADMM CS(=O)(=O)c1ccc(F)c(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2F)c1 ZINC000392217580 677677887 /nfs/dbraw/zinc/67/78/87/677677887.db2.gz WMNODKYFSBUVLY-UHFFFAOYSA-N -1 1 390.389 1.268 20 0 GDADMM Cc1cc(S(=O)(=O)Nc2ccc(S(C)(=O)=O)nc2)cc(C(=O)[O-])c1F ZINC000392741370 677677987 /nfs/dbraw/zinc/67/79/87/677677987.db2.gz YEFLGWGPBSOVQD-UHFFFAOYSA-N -1 1 388.398 1.432 20 0 GDADMM Cc1nc(S(=O)(=O)[N-]Cc2ncc(Cl)n2C)c(Br)n1C ZINC000393634202 677678093 /nfs/dbraw/zinc/67/80/93/677678093.db2.gz NWYVKISSWUPLSN-UHFFFAOYSA-N -1 1 382.671 1.356 20 0 GDADMM C[C@@H]1CN(CCCNC(=O)N[C@@]2(C(=O)[O-])CCc3ccccc32)C[C@@H](C)O1 ZINC000908768112 939316879 /nfs/dbraw/zinc/31/68/79/939316879.db2.gz DTAKOHZTUYOLQF-SXGZJXTBSA-N -1 1 375.469 1.711 20 0 GDADMM CN1CCN(c2ccc(CNC(=O)N[C@@](C)(C(=O)[O-])c3ccccc3)cn2)CC1 ZINC000908772149 939319328 /nfs/dbraw/zinc/31/93/28/939319328.db2.gz QNKSVGIHYLRHBO-OAQYLSRUSA-N -1 1 397.479 1.633 20 0 GDADMM Cc1cccc(N2CCN(CCCNC(=O)N[C@@]3(C(=O)[O-])CCOC3)CC2)c1 ZINC000908833671 939332355 /nfs/dbraw/zinc/33/23/55/939332355.db2.gz VMTPDDODHDLNDS-FQEVSTJZSA-N -1 1 390.484 1.050 20 0 GDADMM CN1CCN(c2ncccc2CNC(=O)NC2(C(=O)[O-])CCCCCC2)CC1 ZINC000908899228 939347468 /nfs/dbraw/zinc/34/74/68/939347468.db2.gz QIENQOPMVOTDIL-UHFFFAOYSA-N -1 1 389.500 1.810 20 0 GDADMM O=C([O-])[C@@H](NC(=O)N[C@@H]1CCCN2CCSC[C@@H]12)c1ccc2c(c1)CCO2 ZINC000929065150 939808963 /nfs/dbraw/zinc/80/89/63/939808963.db2.gz SUVPJCUVYNWFTO-VYDXJSESSA-N -1 1 391.493 1.626 20 0 GDADMM C[C@H](C(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1)C1CC1 ZINC000819856955 945298126 /nfs/dbraw/zinc/29/81/26/945298126.db2.gz NJBIANYYCIHAQT-NSHDSACASA-N -1 1 383.412 1.809 20 0 GDADMM O=C([O-])[C@H](c1ccccc1)N1CC[C@H](NCc2c[nH]nc2-c2cccnc2)C1=O ZINC001611362310 971012985 /nfs/dbraw/zinc/01/29/85/971012985.db2.gz SMVLXMHSCVGHRJ-HKUYNNGSSA-N -1 1 391.431 1.988 20 0 GDADMM CCc1nn(CC(=O)N(C)Cc2ccc(F)cc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736704963 944873813 /nfs/dbraw/zinc/87/38/13/944873813.db2.gz BEDHSUGIYALTLZ-UHFFFAOYSA-N -1 1 399.430 1.346 20 0 GDADMM CN(C[C@H]1CCCCN1C(=O)c1cncs1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571261126 945422734 /nfs/dbraw/zinc/42/27/34/945422734.db2.gz APOCVNKJAQMASO-LLVKDONJSA-N -1 1 385.457 1.244 20 0 GDADMM CN(C[C@H]1CCCCN1C(=O)c1cncs1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571261126 945422740 /nfs/dbraw/zinc/42/27/40/945422740.db2.gz APOCVNKJAQMASO-LLVKDONJSA-N -1 1 385.457 1.244 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571261225 945425294 /nfs/dbraw/zinc/42/52/94/945425294.db2.gz BUTNJKMEUCVMDT-AOOOYVTPSA-N -1 1 385.457 1.610 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571261225 945425298 /nfs/dbraw/zinc/42/52/98/945425298.db2.gz BUTNJKMEUCVMDT-AOOOYVTPSA-N -1 1 385.457 1.610 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571261227 945425610 /nfs/dbraw/zinc/42/56/10/945425610.db2.gz BUTNJKMEUCVMDT-MGCOHNPYSA-N -1 1 385.457 1.610 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571261227 945425617 /nfs/dbraw/zinc/42/56/17/945425617.db2.gz BUTNJKMEUCVMDT-MGCOHNPYSA-N -1 1 385.457 1.610 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1cncs1 ZINC001571261645 945429620 /nfs/dbraw/zinc/42/96/20/945429620.db2.gz HSULISIYHSNEPZ-CMPLNLGQSA-N -1 1 385.457 1.147 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1cncs1 ZINC001571261645 945429624 /nfs/dbraw/zinc/42/96/24/945429624.db2.gz HSULISIYHSNEPZ-CMPLNLGQSA-N -1 1 385.457 1.147 20 0 GDADMM CC[C@H]1CN(C(=O)c2cscn2)CC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571262560 945439724 /nfs/dbraw/zinc/43/97/24/945439724.db2.gz UPAJQOHRMIYENM-WDEREUQCSA-N -1 1 385.457 1.466 20 0 GDADMM CC[C@H]1CN(C(=O)c2cscn2)CC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571262560 945439738 /nfs/dbraw/zinc/43/97/38/945439738.db2.gz UPAJQOHRMIYENM-WDEREUQCSA-N -1 1 385.457 1.466 20 0 GDADMM Cc1cc(C(=O)N2C[C@H](C)[C@H](CNc3nccnc3-c3nnn[n-]3)C2)ns1 ZINC001571262944 945445547 /nfs/dbraw/zinc/44/55/47/945445547.db2.gz CUYRHXRSEKFYSX-GXSJLCMTSA-N -1 1 385.457 1.242 20 0 GDADMM Cc1cc(C(=O)N2C[C@H](C)[C@H](CNc3nccnc3-c3nn[n-]n3)C2)ns1 ZINC001571262944 945445555 /nfs/dbraw/zinc/44/55/55/945445555.db2.gz CUYRHXRSEKFYSX-GXSJLCMTSA-N -1 1 385.457 1.242 20 0 GDADMM Cc1nscc1C(=O)NC[C@H]1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571262902 945446028 /nfs/dbraw/zinc/44/60/28/945446028.db2.gz BMRYSSWJUHTGRH-WDEREUQCSA-N -1 1 385.457 1.432 20 0 GDADMM Cc1nscc1C(=O)NC[C@H]1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571262902 945446032 /nfs/dbraw/zinc/44/60/32/945446032.db2.gz BMRYSSWJUHTGRH-WDEREUQCSA-N -1 1 385.457 1.432 20 0 GDADMM Cc1nsc(NC[C@H]2CCCN2C(=O)c2cnnc(C)c2)c1-c1nn[n-]n1 ZINC001571262888 945446538 /nfs/dbraw/zinc/44/65/38/945446538.db2.gz BGKZCPGOUNBOKQ-GFCCVEGCSA-N -1 1 385.457 1.447 20 0 GDADMM Cc1ncsc1C(=O)N[C@H]1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571262981 945448113 /nfs/dbraw/zinc/44/81/13/945448113.db2.gz DTKBOTUWYCNTNQ-QWRGUYRKSA-N -1 1 385.457 1.575 20 0 GDADMM Cc1ncsc1C(=O)N[C@H]1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571262981 945448119 /nfs/dbraw/zinc/44/81/19/945448119.db2.gz DTKBOTUWYCNTNQ-QWRGUYRKSA-N -1 1 385.457 1.575 20 0 GDADMM O=C(Cc1cncs1)N[C@H]1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571263206 945453206 /nfs/dbraw/zinc/45/32/06/945453206.db2.gz JYVFJZRNGKHOQQ-MNOVXSKESA-N -1 1 385.457 1.053 20 0 GDADMM O=C(Cc1cncs1)N[C@H]1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571263206 945453209 /nfs/dbraw/zinc/45/32/09/945453209.db2.gz JYVFJZRNGKHOQQ-MNOVXSKESA-N -1 1 385.457 1.053 20 0 GDADMM Cc1ncc(C(=O)NC[C@H]2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)s1 ZINC001571263313 945455612 /nfs/dbraw/zinc/45/56/12/945455612.db2.gz MPBJIGAKVMVNNN-WDEREUQCSA-N -1 1 385.457 1.432 20 0 GDADMM Cc1ncc(C(=O)NC[C@H]2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)s1 ZINC001571263313 945455615 /nfs/dbraw/zinc/45/56/15/945455615.db2.gz MPBJIGAKVMVNNN-WDEREUQCSA-N -1 1 385.457 1.432 20 0 GDADMM Cc1nsc(NC[C@@H]2CN(C(=O)c3cncnc3)C[C@H]2C)c1-c1nn[n-]n1 ZINC001571263280 945456485 /nfs/dbraw/zinc/45/64/85/945456485.db2.gz LUXNYWHCOISSCF-BXKDBHETSA-N -1 1 385.457 1.242 20 0 GDADMM Cc1nscc1C(=O)N[C@H]1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571263701 945465090 /nfs/dbraw/zinc/46/50/90/945465090.db2.gz WZAFHJGKFHQQSU-JQWIXIFHSA-N -1 1 385.457 1.432 20 0 GDADMM Cc1nscc1C(=O)N[C@H]1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571263701 945465095 /nfs/dbraw/zinc/46/50/95/945465095.db2.gz WZAFHJGKFHQQSU-JQWIXIFHSA-N -1 1 385.457 1.432 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(Cl)cn2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571265625 945515289 /nfs/dbraw/zinc/51/52/89/945515289.db2.gz NARHLNVESLVSMQ-ZANVPECISA-N -1 1 385.819 1.278 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(Cl)cn2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571265625 945515296 /nfs/dbraw/zinc/51/52/96/945515296.db2.gz NARHLNVESLVSMQ-ZANVPECISA-N -1 1 385.819 1.278 20 0 GDADMM O=C(c1ccncc1Cl)N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571266067 945528301 /nfs/dbraw/zinc/52/83/01/945528301.db2.gz VMBGXXBYFVZGDQ-JTQLQIEISA-N -1 1 385.819 1.422 20 0 GDADMM O=C(c1ccncc1Cl)N1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571266067 945528302 /nfs/dbraw/zinc/52/83/02/945528302.db2.gz VMBGXXBYFVZGDQ-JTQLQIEISA-N -1 1 385.819 1.422 20 0 GDADMM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cccc(C(F)F)c1 ZINC001571266923 945556602 /nfs/dbraw/zinc/55/66/02/945556602.db2.gz CJJZGPWFGOGORS-LBPRGKRZSA-N -1 1 386.366 1.603 20 0 GDADMM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cccc(C(F)F)c1 ZINC001571266923 945556612 /nfs/dbraw/zinc/55/66/12/945556612.db2.gz CJJZGPWFGOGORS-LBPRGKRZSA-N -1 1 386.366 1.603 20 0 GDADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(F)ccc1F ZINC001571267049 945562116 /nfs/dbraw/zinc/56/21/16/945562116.db2.gz HSTJXUKAOFQSLP-ZANVPECISA-N -1 1 386.366 1.072 20 0 GDADMM C[C@@H](c1ccccc1)[C@H](NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1)C(N)=O ZINC001571267480 945570887 /nfs/dbraw/zinc/57/08/87/945570887.db2.gz WLBLBYOFDHTYCF-VFZGTOFNSA-N -1 1 386.362 1.532 20 0 GDADMM C[C@@H](c1ccccc1)[C@H](NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1)C(N)=O ZINC001571267480 945570892 /nfs/dbraw/zinc/57/08/92/945570892.db2.gz WLBLBYOFDHTYCF-VFZGTOFNSA-N -1 1 386.362 1.532 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC001571267472 945571070 /nfs/dbraw/zinc/57/10/70/945571070.db2.gz WGFZRJOOPPGKQC-BETUJISGSA-N -1 1 386.318 1.204 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC001571267472 945571075 /nfs/dbraw/zinc/57/10/75/945571075.db2.gz WGFZRJOOPPGKQC-BETUJISGSA-N -1 1 386.318 1.204 20 0 GDADMM O=C(C1CCC(F)CC1)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001571269232 945615954 /nfs/dbraw/zinc/61/59/54/945615954.db2.gz SRQBUJRIXBIHOE-LLZFXZEUSA-N -1 1 386.435 1.365 20 0 GDADMM O=C(C1CCC(F)CC1)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001571269232 945615958 /nfs/dbraw/zinc/61/59/58/945615958.db2.gz SRQBUJRIXBIHOE-LLZFXZEUSA-N -1 1 386.435 1.365 20 0 GDADMM CCc1nc(N[C@H]2C[C@@H](NC(=O)[C@H]3CCC[C@@H]3OC)C2)cc(-c2nnn[n-]2)n1 ZINC001571272222 945658029 /nfs/dbraw/zinc/65/80/29/945658029.db2.gz BJBWXPGYMPFICY-OPDFLTKYSA-N -1 1 386.460 1.093 20 0 GDADMM CCc1nc(N[C@H]2C[C@@H](NC(=O)[C@H]3CCC[C@@H]3OC)C2)cc(-c2nn[n-]n2)n1 ZINC001571272222 945658031 /nfs/dbraw/zinc/65/80/31/945658031.db2.gz BJBWXPGYMPFICY-OPDFLTKYSA-N -1 1 386.460 1.093 20 0 GDADMM O=C([C@@H]1CCCCO1)N1CCCCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571272428 945661899 /nfs/dbraw/zinc/66/18/99/945661899.db2.gz DMYDGVFULHBZJS-KBPBESRZSA-N -1 1 386.460 1.409 20 0 GDADMM O=C([C@@H]1CCCCO1)N1CCCCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571272428 945661900 /nfs/dbraw/zinc/66/19/00/945661900.db2.gz DMYDGVFULHBZJS-KBPBESRZSA-N -1 1 386.460 1.409 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC2CCN(C(=O)[C@@H]3CCO[C@@H](C)C3)CC2)n1 ZINC001571272885 945673410 /nfs/dbraw/zinc/67/34/10/945673410.db2.gz KAAQDAYEEKUCRH-QWHCGFSZSA-N -1 1 386.460 1.183 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC2CCN(C(=O)[C@@H]3CCO[C@@H](C)C3)CC2)n1 ZINC001571272885 945673417 /nfs/dbraw/zinc/67/34/17/945673417.db2.gz KAAQDAYEEKUCRH-QWHCGFSZSA-N -1 1 386.460 1.183 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCN(C(=O)CC3CCOCC3)C2)n1 ZINC001571272914 945673517 /nfs/dbraw/zinc/67/35/17/945673517.db2.gz KXHDJPBAFMDRCN-AWEZNQCLSA-N -1 1 386.460 1.042 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCN(C(=O)CC3CCOCC3)C2)n1 ZINC001571272914 945673523 /nfs/dbraw/zinc/67/35/23/945673523.db2.gz KXHDJPBAFMDRCN-AWEZNQCLSA-N -1 1 386.460 1.042 20 0 GDADMM CC[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571273178 945680883 /nfs/dbraw/zinc/68/08/83/945680883.db2.gz RUCUNDLCQCAPNA-COMQUAJESA-N -1 1 386.460 1.087 20 0 GDADMM CC[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571273178 945680895 /nfs/dbraw/zinc/68/08/95/945680895.db2.gz RUCUNDLCQCAPNA-COMQUAJESA-N -1 1 386.460 1.087 20 0 GDADMM Cn1nc(C(=O)NCc2cc(F)c(-c3nnn[n-]3)c(F)c2)cc1C(F)(F)F ZINC001571275094 945702770 /nfs/dbraw/zinc/70/27/70/945702770.db2.gz OVROBNPZMCBFTD-UHFFFAOYSA-N -1 1 387.272 1.827 20 0 GDADMM Cn1nc(C(=O)NCc2cc(F)c(-c3nn[n-]n3)c(F)c2)cc1C(F)(F)F ZINC001571275094 945702775 /nfs/dbraw/zinc/70/27/75/945702775.db2.gz OVROBNPZMCBFTD-UHFFFAOYSA-N -1 1 387.272 1.827 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ncc(F)cc1F ZINC001571275600 945709290 /nfs/dbraw/zinc/70/92/90/945709290.db2.gz YLVIJLLYPXAMRB-GZMMTYOYSA-N -1 1 387.354 1.045 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ncc(F)cc1F ZINC001571275600 945709294 /nfs/dbraw/zinc/70/92/94/945709294.db2.gz YLVIJLLYPXAMRB-GZMMTYOYSA-N -1 1 387.354 1.045 20 0 GDADMM O=C(Cc1ccc(-c2nnn[n-]2)nc1)NCCc1ccc(Br)cc1 ZINC001571275565 945709351 /nfs/dbraw/zinc/70/93/51/945709351.db2.gz XDFSJXAHKVKNSW-UHFFFAOYSA-N -1 1 387.241 1.926 20 0 GDADMM O=C(Cc1ccc(-c2nn[n-]n2)nc1)NCCc1ccc(Br)cc1 ZINC001571275565 945709356 /nfs/dbraw/zinc/70/93/56/945709356.db2.gz XDFSJXAHKVKNSW-UHFFFAOYSA-N -1 1 387.241 1.926 20 0 GDADMM CC(C)NS(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC001571275954 945720694 /nfs/dbraw/zinc/72/06/94/945720694.db2.gz AFGOCZRQDMLUSJ-UHFFFAOYSA-N -1 1 387.425 1.201 20 0 GDADMM CC(C)NS(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC001571275954 945720700 /nfs/dbraw/zinc/72/07/00/945720700.db2.gz AFGOCZRQDMLUSJ-UHFFFAOYSA-N -1 1 387.425 1.201 20 0 GDADMM CC1(C(=O)N[C@H]2CCC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CCOCC1 ZINC001571276094 945725452 /nfs/dbraw/zinc/72/54/52/945725452.db2.gz HBWMXXZOMOLFRE-STQMWFEESA-N -1 1 386.460 1.313 20 0 GDADMM CC1(C(=O)N[C@H]2CCC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CCOCC1 ZINC001571276094 945725459 /nfs/dbraw/zinc/72/54/59/945725459.db2.gz HBWMXXZOMOLFRE-STQMWFEESA-N -1 1 386.460 1.313 20 0 GDADMM CC1(C)CC[C@@H](CC(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)OC1 ZINC001571276558 945732280 /nfs/dbraw/zinc/73/22/80/945732280.db2.gz IMGPVGCPKAEVBL-OLZOCXBDSA-N -1 1 386.460 1.265 20 0 GDADMM CC1(C)CC[C@@H](CC(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)OC1 ZINC001571276558 945732289 /nfs/dbraw/zinc/73/22/89/945732289.db2.gz IMGPVGCPKAEVBL-OLZOCXBDSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)CN1C(=O)CCC1CCOCC1 ZINC001571278421 945753989 /nfs/dbraw/zinc/75/39/89/945753989.db2.gz NCAMVBYWDIPFQL-OCCSQVGLSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)CN1C(=O)CCC1CCOCC1 ZINC001571278421 945753997 /nfs/dbraw/zinc/75/39/97/945753997.db2.gz NCAMVBYWDIPFQL-OCCSQVGLSA-N -1 1 386.460 1.265 20 0 GDADMM CC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)C[C@@H]2CCCOC2)CC1 ZINC001571278903 945765300 /nfs/dbraw/zinc/76/53/00/945765300.db2.gz RBTDQPQLBUKTRU-ZDUSSCGKSA-N -1 1 386.460 1.266 20 0 GDADMM CC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)C[C@@H]2CCCOC2)CC1 ZINC001571278903 945765305 /nfs/dbraw/zinc/76/53/05/945765305.db2.gz RBTDQPQLBUKTRU-ZDUSSCGKSA-N -1 1 386.460 1.266 20 0 GDADMM COC(C)(C)c1noc(CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)n1 ZINC000821673499 945791185 /nfs/dbraw/zinc/79/11/85/945791185.db2.gz CZUBRPFEBWNSRF-UHFFFAOYSA-N -1 1 383.416 1.576 20 0 GDADMM COC(C)(C)c1noc(CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)n1 ZINC000821673499 945791189 /nfs/dbraw/zinc/79/11/89/945791189.db2.gz CZUBRPFEBWNSRF-UHFFFAOYSA-N -1 1 383.416 1.576 20 0 GDADMM Cc1c[nH]nc1C(=O)N1CCC[C@H](N(C)c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571281627 945805865 /nfs/dbraw/zinc/80/58/65/945805865.db2.gz KGGRHGSYMDKWPE-NSHDSACASA-N -1 1 387.473 1.404 20 0 GDADMM Cc1nn(C)cc1C(=O)N[C@@]1(C)CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571282267 945834879 /nfs/dbraw/zinc/83/48/79/945834879.db2.gz WGBCYRNISYZOSQ-INIZCTEOSA-N -1 1 387.473 1.072 20 0 GDADMM Cc1nc(-c2nn[n-]n2)c(N2CCC(C(=O)N[C@@H]3C[C@H]3[C@@H]3CCCO3)CC2)o1 ZINC001571282715 945859953 /nfs/dbraw/zinc/85/99/53/945859953.db2.gz OIAODQYQIIAIDN-MCIONIFRSA-N -1 1 387.444 1.063 20 0 GDADMM C[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CN1C(=O)c1cc(Cl)cn1C ZINC001571283410 945884853 /nfs/dbraw/zinc/88/48/53/945884853.db2.gz FJYCZXHCKKIEDS-GXSJLCMTSA-N -1 1 387.835 1.364 20 0 GDADMM C[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CN1C(=O)c1cc(Cl)cn1C ZINC001571283410 945884864 /nfs/dbraw/zinc/88/48/64/945884864.db2.gz FJYCZXHCKKIEDS-GXSJLCMTSA-N -1 1 387.835 1.364 20 0 GDADMM Cc1nsc(N2C[C@@H]3CN(C(=O)[C@@H]4CC4(C)C)C[C@]3(C)C2)c1-c1nn[n-]n1 ZINC001571284355 945901030 /nfs/dbraw/zinc/90/10/30/945901030.db2.gz OEDGUKAZRARFCX-OAVHHTNSSA-N -1 1 387.513 1.962 20 0 GDADMM O=C(NC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cc(Cl)c[nH]1 ZINC001571285924 945933037 /nfs/dbraw/zinc/93/30/37/945933037.db2.gz RLDBVOLVRKKVDU-JTQLQIEISA-N -1 1 387.835 1.285 20 0 GDADMM O=C(NC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cc(Cl)c[nH]1 ZINC001571285924 945933039 /nfs/dbraw/zinc/93/30/39/945933039.db2.gz RLDBVOLVRKKVDU-JTQLQIEISA-N -1 1 387.835 1.285 20 0 GDADMM C[C@@H]1CC[C@@H](NC(=O)c2ccc(F)s2)CN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571286348 945944904 /nfs/dbraw/zinc/94/49/04/945944904.db2.gz FIDGEXNWSXDFBL-NXEZZACHSA-N -1 1 388.432 1.645 20 0 GDADMM C[C@@H]1CC[C@@H](NC(=O)c2ccc(F)s2)CN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571286348 945944917 /nfs/dbraw/zinc/94/49/17/945944917.db2.gz FIDGEXNWSXDFBL-NXEZZACHSA-N -1 1 388.432 1.645 20 0 GDADMM CN(c1ccc(-c2nnn[n-]2)nn1)C1CCN(C(=O)c2sccc2F)CC1 ZINC001571287003 945965052 /nfs/dbraw/zinc/96/50/52/945965052.db2.gz XTCGYGNRMAXIDF-UHFFFAOYSA-N -1 1 388.432 1.598 20 0 GDADMM CN(c1ccc(-c2nn[n-]n2)nn1)C1CCN(C(=O)c2sccc2F)CC1 ZINC001571287003 945965060 /nfs/dbraw/zinc/96/50/60/945965060.db2.gz XTCGYGNRMAXIDF-UHFFFAOYSA-N -1 1 388.432 1.598 20 0 GDADMM Cc1nsc(NC[C@H]2CC[C@H](NC(=O)Cc3ccon3)C2)c1-c1nn[n-]n1 ZINC001571289446 946006410 /nfs/dbraw/zinc/00/64/10/946006410.db2.gz DSZBFOIRSREDJP-QWRGUYRKSA-N -1 1 388.457 1.559 20 0 GDADMM Cc1nsc(N[C@H](C)[C@@H]2CCCCN2C(=O)c2nc[nH]n2)c1-c1nn[n-]n1 ZINC001571289739 946018381 /nfs/dbraw/zinc/01/83/81/946018381.db2.gz LMSYMRYAIFOQGX-SCZZXKLOSA-N -1 1 388.461 1.245 20 0 GDADMM CC[C@H](OC)C(=O)N1CCC(CCN(C)c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571289931 946023169 /nfs/dbraw/zinc/02/31/69/946023169.db2.gz QBQXVPXGLYFDQY-HNNXBMFYSA-N -1 1 388.476 1.147 20 0 GDADMM CC[C@H](OC)C(=O)N1CCC(CCN(C)c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571289931 946023183 /nfs/dbraw/zinc/02/31/83/946023183.db2.gz QBQXVPXGLYFDQY-HNNXBMFYSA-N -1 1 388.476 1.147 20 0 GDADMM O=C(NC[C@@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1)[C@H]1CC12CCC2 ZINC001571289956 946023983 /nfs/dbraw/zinc/02/39/83/946023983.db2.gz QQWLPCNLUQSUBZ-TZMCWYRMSA-N -1 1 388.497 1.435 20 0 GDADMM Cc1nsc(N[C@H]2CN(C(=O)c3ncoc3C)CC2(C)C)c1-c1nn[n-]n1 ZINC001571289907 946024238 /nfs/dbraw/zinc/02/42/38/946024238.db2.gz PLGSCKUHCAPKAF-JTQLQIEISA-N -1 1 388.457 1.891 20 0 GDADMM CC[C@H](F)C(=O)N1CC2(C[C@@H]1C)CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571290044 946026213 /nfs/dbraw/zinc/02/62/13/946026213.db2.gz TXTLBDVHOOXSBT-STQMWFEESA-N -1 1 388.451 1.612 20 0 GDADMM CC[C@H](F)C(=O)N1CC2(C[C@@H]1C)CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001571290044 946026220 /nfs/dbraw/zinc/02/62/20/946026220.db2.gz TXTLBDVHOOXSBT-STQMWFEESA-N -1 1 388.451 1.612 20 0 GDADMM Cc1cnoc1C(=O)N1CCC[C@@H](CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571290046 946026601 /nfs/dbraw/zinc/02/66/01/946026601.db2.gz TYOAKLICNSWZQU-NSHDSACASA-N -1 1 388.457 1.892 20 0 GDADMM C[C@H]1CC[C@@H](NC(=O)C2(F)CCCCC2)CN1c1cncc(-c2nnn[n-]2)n1 ZINC001571289979 946027198 /nfs/dbraw/zinc/02/71/98/946027198.db2.gz ROHCRAHCWOMBHT-QWHCGFSZSA-N -1 1 388.451 1.803 20 0 GDADMM C[C@H]1CC[C@@H](NC(=O)C2(F)CCCCC2)CN1c1cncc(-c2nn[n-]n2)n1 ZINC001571289979 946027210 /nfs/dbraw/zinc/02/72/10/946027210.db2.gz ROHCRAHCWOMBHT-QWHCGFSZSA-N -1 1 388.451 1.803 20 0 GDADMM Cc1nsc(N2CC[C@@H](NC(=O)c3cc(C(C)C)on3)C2)c1-c1nn[n-]n1 ZINC001571290084 946028886 /nfs/dbraw/zinc/02/88/86/946028886.db2.gz UYEPRMBRTTVEEY-SNVBAGLBSA-N -1 1 388.457 1.752 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NCC2CCN(C(=O)[C@@H]3CC[C@@H](F)C3)CC2)n1 ZINC001571290197 946032811 /nfs/dbraw/zinc/03/28/11/946032811.db2.gz XMHSIINIEUBINO-ZIAGYGMSSA-N -1 1 388.451 1.754 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NCC2CCN(C(=O)[C@@H]3CC[C@@H](F)C3)CC2)n1 ZINC001571290197 946032820 /nfs/dbraw/zinc/03/28/20/946032820.db2.gz XMHSIINIEUBINO-ZIAGYGMSSA-N -1 1 388.451 1.754 20 0 GDADMM Cc1occc1C(=O)NC[C@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001571290252 946036693 /nfs/dbraw/zinc/03/66/93/946036693.db2.gz YSSKWASZBOCQBK-LBPRGKRZSA-N -1 1 388.453 1.460 20 0 GDADMM Cc1cccc(C)c1NC(=O)CN(C)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000822294325 946048018 /nfs/dbraw/zinc/04/80/18/946048018.db2.gz XCMKKXOIKZAQMK-UHFFFAOYSA-N -1 1 383.416 1.319 20 0 GDADMM Cc1cccc(C)c1NC(=O)CN(C)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000822294325 946048032 /nfs/dbraw/zinc/04/80/32/946048032.db2.gz XCMKKXOIKZAQMK-UHFFFAOYSA-N -1 1 383.416 1.319 20 0 GDADMM C[C@H]1CN(C(=O)c2occc2Cl)CC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571290945 946062604 /nfs/dbraw/zinc/06/26/04/946062604.db2.gz VDVUXCMMFGPWRR-GXSJLCMTSA-N -1 1 388.819 1.866 20 0 GDADMM C[C@H]1CN(C(=O)c2occc2Cl)CC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571290945 946062613 /nfs/dbraw/zinc/06/26/13/946062613.db2.gz VDVUXCMMFGPWRR-GXSJLCMTSA-N -1 1 388.819 1.866 20 0 GDADMM Cc1nc(-c2ncccn2)sc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822424165 946084651 /nfs/dbraw/zinc/08/46/51/946084651.db2.gz SIKFSGMXBLBAJW-UHFFFAOYSA-N -1 1 380.393 1.841 20 0 GDADMM Cc1nc(-c2ncccn2)sc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822424165 946084667 /nfs/dbraw/zinc/08/46/67/946084667.db2.gz SIKFSGMXBLBAJW-UHFFFAOYSA-N -1 1 380.393 1.841 20 0 GDADMM Cc1nsc(N[C@@H](C)[C@H]2CN(C(=O)c3ccco3)CCO2)c1-c1nn[n-]n1 ZINC001571293480 946104977 /nfs/dbraw/zinc/10/49/77/946104977.db2.gz JHVCLRSMOWWTKP-JOYOIKCWSA-N -1 1 389.441 1.566 20 0 GDADMM Cc1nonc1C(=O)N1C[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C(C)(C)C1 ZINC001571293689 946113404 /nfs/dbraw/zinc/11/34/04/946113404.db2.gz PIMQCYQRRNTMBS-SECBINFHSA-N -1 1 389.445 1.286 20 0 GDADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@H](C)COc1ccc(F)cc1F ZINC001571294567 946138457 /nfs/dbraw/zinc/13/84/57/946138457.db2.gz JLVRPXLCVQWXJQ-SECBINFHSA-N -1 1 390.350 1.751 20 0 GDADMM COC1CC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571295156 946153957 /nfs/dbraw/zinc/15/39/57/946153957.db2.gz OYUASPNQOZNXFG-AQUBRYCOSA-N -1 1 389.485 1.283 20 0 GDADMM NC(=O)CSc1ccccc1NC(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001571295257 946160201 /nfs/dbraw/zinc/16/02/01/946160201.db2.gz RGOSMHNSYPSIFW-UHFFFAOYSA-N -1 1 389.466 1.827 20 0 GDADMM O=C(N[C@@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1)[C@H]1C[C@@H]1C(F)F ZINC001571295393 946162173 /nfs/dbraw/zinc/16/21/73/946162173.db2.gz ZVFFKSFLRDTMEQ-VQVTYTSYSA-N -1 1 389.819 1.573 20 0 GDADMM O=C(N[C@@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1)[C@H]1C[C@@H]1C(F)F ZINC001571295393 946162177 /nfs/dbraw/zinc/16/21/77/946162177.db2.gz ZVFFKSFLRDTMEQ-VQVTYTSYSA-N -1 1 389.819 1.573 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@@]3(CCN(c4cnc(-c5nnn[n-]5)cn4)C3)C2)c1 ZINC001571298629 946225067 /nfs/dbraw/zinc/22/50/67/946225067.db2.gz IAOJCWYYXAZABY-HXUWFJFHSA-N -1 1 390.451 1.708 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@@]3(CCN(c4cnc(-c5nn[n-]n5)cn4)C3)C2)c1 ZINC001571298629 946225079 /nfs/dbraw/zinc/22/50/79/946225079.db2.gz IAOJCWYYXAZABY-HXUWFJFHSA-N -1 1 390.451 1.708 20 0 GDADMM CC[C@@H](SC)C(=O)N1CC[C@@H](C)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571298713 946227950 /nfs/dbraw/zinc/22/79/50/946227950.db2.gz CFLFGEFDBBBOTO-MBNYWOFBSA-N -1 1 390.517 1.837 20 0 GDADMM CC[C@@H](SC)C(=O)N1CC[C@@H](C)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571298713 946227960 /nfs/dbraw/zinc/22/79/60/946227960.db2.gz CFLFGEFDBBBOTO-MBNYWOFBSA-N -1 1 390.517 1.837 20 0 GDADMM Cc1csc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)c1Cl ZINC001571299011 946234840 /nfs/dbraw/zinc/23/48/40/946234840.db2.gz GTRBFTXIZBVVAQ-SECBINFHSA-N -1 1 390.860 1.689 20 0 GDADMM Cc1csc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)c1Cl ZINC001571299011 946234849 /nfs/dbraw/zinc/23/48/49/946234849.db2.gz GTRBFTXIZBVVAQ-SECBINFHSA-N -1 1 390.860 1.689 20 0 GDADMM CC(=O)N[C@@H](CC(=O)Nc1cccc(-c2nnn[n-]2)n1)c1ccc(F)cc1F ZINC001573486101 946236861 /nfs/dbraw/zinc/23/68/61/946236861.db2.gz CLFXUQGZWGCZRX-AWEZNQCLSA-N -1 1 387.350 1.746 20 0 GDADMM CC(=O)N[C@@H](CC(=O)Nc1cccc(-c2nn[n-]n2)n1)c1ccc(F)cc1F ZINC001573486101 946236869 /nfs/dbraw/zinc/23/68/69/946236869.db2.gz CLFXUQGZWGCZRX-AWEZNQCLSA-N -1 1 387.350 1.746 20 0 GDADMM C[C@@H]1CN(C(=O)c2sccc2Cl)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571299084 946238280 /nfs/dbraw/zinc/23/82/80/946238280.db2.gz IJRHWYJTIIXFAQ-PSASIEDQSA-N -1 1 390.860 1.944 20 0 GDADMM C[C@@H]1CN(C(=O)c2sccc2Cl)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571299084 946238292 /nfs/dbraw/zinc/23/82/92/946238292.db2.gz IJRHWYJTIIXFAQ-PSASIEDQSA-N -1 1 390.860 1.944 20 0 GDADMM O=C(N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)[C@@H]1CCc2ccccc2C1 ZINC001571299188 946244521 /nfs/dbraw/zinc/24/45/21/946244521.db2.gz USSARNOLKBZGRQ-HZPDHXFCSA-N -1 1 390.451 1.157 20 0 GDADMM O=C(N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)[C@@H]1CCc2ccccc2C1 ZINC001571299188 946244533 /nfs/dbraw/zinc/24/45/33/946244533.db2.gz USSARNOLKBZGRQ-HZPDHXFCSA-N -1 1 390.451 1.157 20 0 GDADMM CC1CC(C(=O)N[C@@H]2Cc3ccccc3[C@H]2Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571299420 946248962 /nfs/dbraw/zinc/24/89/62/946248962.db2.gz QNUPMMYQUGXFRT-DOKCXDJRSA-N -1 1 390.451 1.319 20 0 GDADMM O=C(NCC1CC(Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1)c1ccncc1 ZINC001571300212 946274888 /nfs/dbraw/zinc/27/48/88/946274888.db2.gz WYOCBVPAUSCUKK-UHFFFAOYSA-N -1 1 390.860 1.992 20 0 GDADMM COc1ccc([O-])c(S(=O)(=O)NCc2ccc(-c3nn[nH]n3)c(OC)c2)c1 ZINC001571302214 946294292 /nfs/dbraw/zinc/29/42/92/946294292.db2.gz ROBIKUFIEHDNHY-UHFFFAOYSA-N -1 1 391.409 1.068 20 0 GDADMM O=C([C@@H]1C[C@H]1c1ccncc1)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571302575 946308210 /nfs/dbraw/zinc/30/82/10/946308210.db2.gz BVLGDTWMJITERK-QLFBSQMISA-N -1 1 391.439 1.258 20 0 GDADMM O=C([C@@H]1C[C@H]1c1ccncc1)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571302575 946308221 /nfs/dbraw/zinc/30/82/21/946308221.db2.gz BVLGDTWMJITERK-QLFBSQMISA-N -1 1 391.439 1.258 20 0 GDADMM O=C(c1ccccn1)N1CC[C@@]2(C1)CCCN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001571302674 946310293 /nfs/dbraw/zinc/31/02/93/946310293.db2.gz FLYMXXKPDDTTHE-IBGZPJMESA-N -1 1 391.439 1.184 20 0 GDADMM O=C(c1ccccn1)N1CC[C@@]2(C1)CCCN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001571302674 946310303 /nfs/dbraw/zinc/31/03/03/946310303.db2.gz FLYMXXKPDDTTHE-IBGZPJMESA-N -1 1 391.439 1.184 20 0 GDADMM Cc1nsc(N[C@H]2CCC[C@@H](NC(=O)c3n[nH]cc3F)C2)c1-c1nn[n-]n1 ZINC001571303432 946337734 /nfs/dbraw/zinc/33/77/34/946337734.db2.gz LSYAFNGUSPQYTQ-BDAKNGLRSA-N -1 1 391.436 1.647 20 0 GDADMM Cc1nsc(N2CCOC[C@H]2CNC(=O)[C@@H]2CCC2(C)C)c1-c1nn[n-]n1 ZINC001571305489 946364452 /nfs/dbraw/zinc/36/44/52/946364452.db2.gz CKRCRJNOKHQXKU-NEPJUHHUSA-N -1 1 391.501 1.389 20 0 GDADMM O=C(c1cnccn1)N1CCC[C@@H]1CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001571306046 946385841 /nfs/dbraw/zinc/38/58/41/946385841.db2.gz ONCSYPFMQZBQJD-MRVPVSSYSA-N -1 1 391.848 1.483 20 0 GDADMM CO[C@@H](C)C(=O)N1CCC2(CCN(c3snc(C)c3-c3nn[n-]n3)C2)CC1 ZINC001571306688 946407059 /nfs/dbraw/zinc/40/70/59/946407059.db2.gz ZOKDPWUIFCXHAU-LBPRGKRZSA-N -1 1 391.501 1.485 20 0 GDADMM Cc1nsc(NCC[C@H]2CCCCN2C(=O)[C@H]2CCCO2)c1-c1nn[n-]n1 ZINC001571306681 946407253 /nfs/dbraw/zinc/40/72/53/946407253.db2.gz ZLWGZGZXTNXQJJ-CHWSQXEVSA-N -1 1 391.501 1.994 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@H]2CCN(C(=O)C3(C(F)F)CC3)C2)n1 ZINC001571307273 946421108 /nfs/dbraw/zinc/42/11/08/946421108.db2.gz CCIUYLBFHGHURB-LLVKDONJSA-N -1 1 392.414 1.295 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@H]2CCN(C(=O)C3(C(F)F)CC3)C2)n1 ZINC001571307273 946421111 /nfs/dbraw/zinc/42/11/11/946421111.db2.gz CCIUYLBFHGHURB-LLVKDONJSA-N -1 1 392.414 1.295 20 0 GDADMM C[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)CN1C(=O)C1CCC(F)(F)CC1 ZINC001571308020 946428632 /nfs/dbraw/zinc/42/86/32/946428632.db2.gz KAGOKNBHKWZLMR-CMPLNLGQSA-N -1 1 392.414 1.884 20 0 GDADMM C[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)CN1C(=O)C1CCC(F)(F)CC1 ZINC001571308020 946428639 /nfs/dbraw/zinc/42/86/39/946428639.db2.gz KAGOKNBHKWZLMR-CMPLNLGQSA-N -1 1 392.414 1.884 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CCCC2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571308401 946433972 /nfs/dbraw/zinc/43/39/72/946433972.db2.gz PPYKGRWSLJQPDZ-ZYHUDNBSSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CCCC2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571308401 946433979 /nfs/dbraw/zinc/43/39/79/946433979.db2.gz PPYKGRWSLJQPDZ-ZYHUDNBSSA-N -1 1 392.414 1.741 20 0 GDADMM O=C([C@H]1CCC1(F)F)N1CCCCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571308571 946435106 /nfs/dbraw/zinc/43/51/06/946435106.db2.gz RGKUZTWDPKYKRF-NWDGAFQWSA-N -1 1 392.414 1.885 20 0 GDADMM O=C([C@H]1CCC1(F)F)N1CCCCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571308571 946435111 /nfs/dbraw/zinc/43/51/11/946435111.db2.gz RGKUZTWDPKYKRF-NWDGAFQWSA-N -1 1 392.414 1.885 20 0 GDADMM O=C([C@@H]1CCC1(F)F)N1CCCCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571308572 946435912 /nfs/dbraw/zinc/43/59/12/946435912.db2.gz RGKUZTWDPKYKRF-RYUDHWBXSA-N -1 1 392.414 1.885 20 0 GDADMM O=C([C@@H]1CCC1(F)F)N1CCCCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571308572 946435920 /nfs/dbraw/zinc/43/59/20/946435920.db2.gz RGKUZTWDPKYKRF-RYUDHWBXSA-N -1 1 392.414 1.885 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)C3(C(F)F)CC3)C[C@@H]2C)n1 ZINC001571308568 946436124 /nfs/dbraw/zinc/43/61/24/946436124.db2.gz RCDJSXBQSDBGFN-ONGXEEELSA-N -1 1 392.414 1.659 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)C3(C(F)F)CC3)C[C@@H]2C)n1 ZINC001571308568 946436128 /nfs/dbraw/zinc/43/61/28/946436128.db2.gz RCDJSXBQSDBGFN-ONGXEEELSA-N -1 1 392.414 1.659 20 0 GDADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)C[C@H]2CCC(F)(F)C2)C1 ZINC001571308812 946437965 /nfs/dbraw/zinc/43/79/65/946437965.db2.gz TUKHHFVCFYQVRF-NEPJUHHUSA-N -1 1 392.414 1.519 20 0 GDADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)C[C@H]2CCC(F)(F)C2)C1 ZINC001571308812 946437970 /nfs/dbraw/zinc/43/79/70/946437970.db2.gz TUKHHFVCFYQVRF-NEPJUHHUSA-N -1 1 392.414 1.519 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](NC(=O)[C@@H]3CCCCC3(F)F)C2)n1 ZINC001571308843 946438106 /nfs/dbraw/zinc/43/81/06/946438106.db2.gz TXHHSEFLKFPDQQ-NEPJUHHUSA-N -1 1 392.414 1.486 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)[C@@H]3CCCCC3(F)F)C2)n1 ZINC001571308843 946438111 /nfs/dbraw/zinc/43/81/11/946438111.db2.gz TXHHSEFLKFPDQQ-NEPJUHHUSA-N -1 1 392.414 1.486 20 0 GDADMM C[C@H]1CN(C(=O)CC2CC(F)(F)C2)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571309024 946440181 /nfs/dbraw/zinc/44/01/81/946440181.db2.gz WBHWHJVOLYCEHT-JQWIXIFHSA-N -1 1 392.414 1.163 20 0 GDADMM Cc1nsc(N[C@@H]2CCN(C(=O)c3c(F)cncc3F)C2)c1-c1nn[n-]n1 ZINC001571309219 946441547 /nfs/dbraw/zinc/44/15/47/946441547.db2.gz XVGVRMFOVDMYGY-MRVPVSSYSA-N -1 1 392.395 1.631 20 0 GDADMM Cc1cccc2c1O[C@@H](C(=O)N[C@H]1C[C@@H](Nc3nccnc3-c3nnn[n-]3)C1)C2 ZINC001571309631 946448331 /nfs/dbraw/zinc/44/83/31/946448331.db2.gz FWOGSSQRJKJYKW-HZSPNIEDSA-N -1 1 392.423 1.028 20 0 GDADMM Cc1cccc2c1O[C@@H](C(=O)N[C@H]1C[C@@H](Nc3nccnc3-c3nn[n-]n3)C1)C2 ZINC001571309631 946448339 /nfs/dbraw/zinc/44/83/39/946448339.db2.gz FWOGSSQRJKJYKW-HZSPNIEDSA-N -1 1 392.423 1.028 20 0 GDADMM O=C(C[C@@H]1Cc2ccccc2O1)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571309945 946457391 /nfs/dbraw/zinc/45/73/91/946457391.db2.gz QFGBFPWIDDJFCS-KBPBESRZSA-N -1 1 392.423 1.063 20 0 GDADMM O=C(C[C@@H]1Cc2ccccc2O1)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571309945 946457396 /nfs/dbraw/zinc/45/73/96/946457396.db2.gz QFGBFPWIDDJFCS-KBPBESRZSA-N -1 1 392.423 1.063 20 0 GDADMM O=C(C[C@@H]1CCCC1(F)F)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571309969 946460108 /nfs/dbraw/zinc/46/01/08/946460108.db2.gz QUKYXIDBYOUFBU-NWDGAFQWSA-N -1 1 392.414 1.567 20 0 GDADMM CC(C)Cc1ccccc1C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571310484 946473650 /nfs/dbraw/zinc/47/36/50/946473650.db2.gz HFPFVRHZBJSKBG-OAHLLOKOSA-N -1 1 392.467 1.864 20 0 GDADMM CC(C)Cc1ccccc1C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571310484 946473660 /nfs/dbraw/zinc/47/36/60/946473660.db2.gz HFPFVRHZBJSKBG-OAHLLOKOSA-N -1 1 392.467 1.864 20 0 GDADMM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H]1CCCN(C(=O)C2C=CC=CC=C2)C1 ZINC001571311534 946489344 /nfs/dbraw/zinc/48/93/44/946489344.db2.gz ZOUMRDPNARPQTF-HOCLYGCPSA-N -1 1 392.467 1.994 20 0 GDADMM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H]1CCCN(C(=O)C2C=CC=CC=C2)C1 ZINC001571311534 946489350 /nfs/dbraw/zinc/48/93/50/946489350.db2.gz ZOUMRDPNARPQTF-HOCLYGCPSA-N -1 1 392.467 1.994 20 0 GDADMM CCc1cccc(CC(=O)N2CCC[C@H]2CNc2cncc(-c3nnn[n-]3)n2)c1 ZINC001571312688 946498437 /nfs/dbraw/zinc/49/84/37/946498437.db2.gz AKALTOXBZRLEHZ-INIZCTEOSA-N -1 1 392.467 1.865 20 0 GDADMM CCc1cccc(CC(=O)N2CCC[C@H]2CNc2cncc(-c3nn[n-]n3)n2)c1 ZINC001571312688 946498445 /nfs/dbraw/zinc/49/84/45/946498445.db2.gz AKALTOXBZRLEHZ-INIZCTEOSA-N -1 1 392.467 1.865 20 0 GDADMM CCc1cccc(CC(=O)N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571313003 946507294 /nfs/dbraw/zinc/50/72/94/946507294.db2.gz HOMAFHTVWKDLNZ-MRXNPFEDSA-N -1 1 392.467 1.865 20 0 GDADMM CCc1cccc(CC(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571313003 946507302 /nfs/dbraw/zinc/50/73/02/946507302.db2.gz HOMAFHTVWKDLNZ-MRXNPFEDSA-N -1 1 392.467 1.865 20 0 GDADMM CCc1ccc([C@@H](C)C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001571313196 946514646 /nfs/dbraw/zinc/51/46/46/946514646.db2.gz JRORAIQWOJPKJU-CJNGLKHVSA-N -1 1 392.467 1.718 20 0 GDADMM CCc1ccc([C@@H](C)C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571313196 946514654 /nfs/dbraw/zinc/51/46/54/946514654.db2.gz JRORAIQWOJPKJU-CJNGLKHVSA-N -1 1 392.467 1.718 20 0 GDADMM CCc1ccc(CCC(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001571313514 946525870 /nfs/dbraw/zinc/52/58/70/946525870.db2.gz QNQLZZZUCZFFAR-INIZCTEOSA-N -1 1 392.467 1.865 20 0 GDADMM CCc1ccc(CCC(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001571313514 946525878 /nfs/dbraw/zinc/52/58/78/946525878.db2.gz QNQLZZZUCZFFAR-INIZCTEOSA-N -1 1 392.467 1.865 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCCN(C(=O)Cc3ccccc3C)C2)n1 ZINC001571315447 946552706 /nfs/dbraw/zinc/55/27/06/946552706.db2.gz KZBKMJFGCGGBMK-INIZCTEOSA-N -1 1 392.467 1.919 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCCN(C(=O)Cc3ccccc3C)C2)n1 ZINC001571315447 946552714 /nfs/dbraw/zinc/55/27/14/946552714.db2.gz KZBKMJFGCGGBMK-INIZCTEOSA-N -1 1 392.467 1.919 20 0 GDADMM Cc1cc(C)cc(CC(=O)N2CCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)c1 ZINC001571316082 946567351 /nfs/dbraw/zinc/56/73/51/946567351.db2.gz TUYHZMXSCRRQTF-MRXNPFEDSA-N -1 1 392.467 1.919 20 0 GDADMM Cc1cc(C)cc(CC(=O)N2CCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)c1 ZINC001571316082 946567367 /nfs/dbraw/zinc/56/73/67/946567367.db2.gz TUYHZMXSCRRQTF-MRXNPFEDSA-N -1 1 392.467 1.919 20 0 GDADMM Cc1cccc([C@H](C)C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571316180 946570008 /nfs/dbraw/zinc/57/00/08/946570008.db2.gz VPLTZKPUYWEURW-GOEBONIOSA-N -1 1 392.467 1.854 20 0 GDADMM Cc1cccc([C@H](C)C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571316180 946570017 /nfs/dbraw/zinc/57/00/17/946570017.db2.gz VPLTZKPUYWEURW-GOEBONIOSA-N -1 1 392.467 1.854 20 0 GDADMM Cc1ccc(C)c(CC(=O)N2CCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)c1 ZINC001571316231 946570051 /nfs/dbraw/zinc/57/00/51/946570051.db2.gz WXXXXEDEBXJTSD-MRXNPFEDSA-N -1 1 392.467 1.919 20 0 GDADMM Cc1ccc(C)c(CC(=O)N2CCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)c1 ZINC001571316231 946570064 /nfs/dbraw/zinc/57/00/64/946570064.db2.gz WXXXXEDEBXJTSD-MRXNPFEDSA-N -1 1 392.467 1.919 20 0 GDADMM Cc1cccc(CC(=O)N2CC[C@@H](CCNc3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571316800 946590660 /nfs/dbraw/zinc/59/06/60/946590660.db2.gz MXMRNGKCIDDNEB-OAHLLOKOSA-N -1 1 392.467 1.858 20 0 GDADMM Cc1cccc(CC(=O)N2CC[C@@H](CCNc3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571316800 946590665 /nfs/dbraw/zinc/59/06/65/946590665.db2.gz MXMRNGKCIDDNEB-OAHLLOKOSA-N -1 1 392.467 1.858 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccn(C)c2)C[C@@H]1Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001571317357 946605780 /nfs/dbraw/zinc/60/57/80/946605780.db2.gz DYLARVJYZKCZBW-SCZZXKLOSA-N -1 1 392.876 1.888 20 0 GDADMM O=C(N[C@@H]1CCN(c2snc(Cl)c2-c2nn[nH]n2)C1)c1ncccc1[O-] ZINC001571317388 946608283 /nfs/dbraw/zinc/60/82/83/946608283.db2.gz FWWPQNSAZUITRI-SSDOTTSWSA-N -1 1 392.832 1.086 20 0 GDADMM O=C(NC[C@@H]1CCCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1)c1cc[nH]c1 ZINC001571317930 946623802 /nfs/dbraw/zinc/62/38/02/946623802.db2.gz YYZVBONUQPUBDT-VIFPVBQESA-N -1 1 392.876 1.951 20 0 GDADMM CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)c2ccsc2-c2nnn[n-]2)C1 ZINC001573542417 946798220 /nfs/dbraw/zinc/79/82/20/946798220.db2.gz IVPDUYBJXLLLMX-JTQLQIEISA-N -1 1 386.441 1.630 20 0 GDADMM CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)c2ccsc2-c2nn[n-]n2)C1 ZINC001573542417 946798227 /nfs/dbraw/zinc/79/82/27/946798227.db2.gz IVPDUYBJXLLLMX-JTQLQIEISA-N -1 1 386.441 1.630 20 0 GDADMM CC(=O)Nc1cccc([C@H](C)NC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)c1 ZINC001573546976 946823141 /nfs/dbraw/zinc/82/31/41/946823141.db2.gz SPDBISPFGYVIIC-JTQLQIEISA-N -1 1 381.396 1.725 20 0 GDADMM CC(=O)Nc1cccc2c1CCCN2C(=O)c1[nH]c(=O)c(-c2nn[n-]n2)cc1C ZINC001573548574 946855850 /nfs/dbraw/zinc/85/58/50/946855850.db2.gz OTIFOPYURNUAFI-UHFFFAOYSA-N -1 1 393.407 1.827 20 0 GDADMM C[C@H]1COc2ccccc2CN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825014994 947044972 /nfs/dbraw/zinc/04/49/72/947044972.db2.gz YPFYRNCIIHZMLC-NSHDSACASA-N -1 1 389.412 1.978 20 0 GDADMM C[C@H]1COc2ccccc2CN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825014994 947044982 /nfs/dbraw/zinc/04/49/82/947044982.db2.gz YPFYRNCIIHZMLC-NSHDSACASA-N -1 1 389.412 1.978 20 0 GDADMM CC[C@@H]1C[C@H](OC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)CCO1 ZINC000825181969 947110016 /nfs/dbraw/zinc/11/00/16/947110016.db2.gz GTKMIKBUCLLSIX-ZIAGYGMSSA-N -1 1 399.455 1.960 20 0 GDADMM CC[C@@H]1C[C@H](OC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)CCO1 ZINC000825181969 947110020 /nfs/dbraw/zinc/11/00/20/947110020.db2.gz GTKMIKBUCLLSIX-ZIAGYGMSSA-N -1 1 399.455 1.960 20 0 GDADMM CCN(CCCNC(=O)Cc1noc(C)c1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC000825420011 947185524 /nfs/dbraw/zinc/18/55/24/947185524.db2.gz XXHXMXAIXYHSGI-UHFFFAOYSA-N -1 1 393.448 1.469 20 0 GDADMM CCN(CCCNC(=O)Cc1noc(C)c1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC000825420011 947185533 /nfs/dbraw/zinc/18/55/33/947185533.db2.gz XXHXMXAIXYHSGI-UHFFFAOYSA-N -1 1 393.448 1.469 20 0 GDADMM CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825444125 947192724 /nfs/dbraw/zinc/19/27/24/947192724.db2.gz JGRQRXSURIOLBV-UHFFFAOYSA-N -1 1 394.395 1.403 20 0 GDADMM CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825444125 947192727 /nfs/dbraw/zinc/19/27/27/947192727.db2.gz JGRQRXSURIOLBV-UHFFFAOYSA-N -1 1 394.395 1.403 20 0 GDADMM CCOC(=O)C=Cc1ccc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)cc1 ZINC000825499622 947207215 /nfs/dbraw/zinc/20/72/15/947207215.db2.gz PHTMWIUMRAKZSL-RMKNXTFCSA-N -1 1 382.380 1.921 20 0 GDADMM CCOC(=O)C=Cc1ccc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)cc1 ZINC000825499622 947207236 /nfs/dbraw/zinc/20/72/36/947207236.db2.gz PHTMWIUMRAKZSL-RMKNXTFCSA-N -1 1 382.380 1.921 20 0 GDADMM CCOc1ccccc1N1CCN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)CC1 ZINC000825653513 947279318 /nfs/dbraw/zinc/27/93/18/947279318.db2.gz DJMHOJYLNLISRH-UHFFFAOYSA-N -1 1 397.439 1.453 20 0 GDADMM CCOc1ccccc1N1CCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)CC1 ZINC000825653513 947279329 /nfs/dbraw/zinc/27/93/29/947279329.db2.gz DJMHOJYLNLISRH-UHFFFAOYSA-N -1 1 397.439 1.453 20 0 GDADMM C=C/C(C)=C\CC(=O)NCC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001573319182 947325162 /nfs/dbraw/zinc/32/51/62/947325162.db2.gz VCGCVGGYSXCKBV-RZAHBXAWSA-N -1 1 382.472 1.758 20 0 GDADMM CCn1nnnc1-c1cccc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)c1 ZINC000825811704 947339151 /nfs/dbraw/zinc/33/91/51/947339151.db2.gz ACVFIYLMUZPODZ-UHFFFAOYSA-N -1 1 380.372 1.018 20 0 GDADMM CCn1nnnc1-c1cccc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)c1 ZINC000825811704 947339165 /nfs/dbraw/zinc/33/91/65/947339165.db2.gz ACVFIYLMUZPODZ-UHFFFAOYSA-N -1 1 380.372 1.018 20 0 GDADMM CN(C)S(=O)(=O)c1ccc(COC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000825875210 947353618 /nfs/dbraw/zinc/35/36/18/947353618.db2.gz FKBSYZQIARDWEN-UHFFFAOYSA-N -1 1 393.450 1.536 20 0 GDADMM CN(C)S(=O)(=O)c1ccc(COC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000825875210 947353629 /nfs/dbraw/zinc/35/36/29/947353629.db2.gz FKBSYZQIARDWEN-UHFFFAOYSA-N -1 1 393.450 1.536 20 0 GDADMM C[C@H](C(=O)N(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)C(C)(F)F ZINC001573593629 947374313 /nfs/dbraw/zinc/37/43/13/947374313.db2.gz LCFGSNXIDCORER-SKDRFNHKSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@H](C(=O)N(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)C(C)(F)F ZINC001573593629 947374327 /nfs/dbraw/zinc/37/43/27/947374327.db2.gz LCFGSNXIDCORER-SKDRFNHKSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@H](C(=O)N(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)C(C)(F)F ZINC001573593900 947379919 /nfs/dbraw/zinc/37/99/19/947379919.db2.gz MRNNPLDHJIAJTN-BXKDBHETSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@H](C(=O)N(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)C(C)(F)F ZINC001573593900 947379930 /nfs/dbraw/zinc/37/99/30/947379930.db2.gz MRNNPLDHJIAJTN-BXKDBHETSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@H](C(=O)N(C)[C@H](c1ncc[nH]1)c1ccc(F)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001573595228 947417581 /nfs/dbraw/zinc/41/75/81/947417581.db2.gz WSWOMVIIDRJLAY-MFKMUULPSA-N -1 1 396.390 1.129 20 0 GDADMM C[C@H](C(=O)N(C)CCNc1nccnc1-c1nnn[n-]1)c1ccc(F)c(F)c1 ZINC001573603244 947482337 /nfs/dbraw/zinc/48/23/37/947482337.db2.gz FLXLOAYIULJTFC-JTQLQIEISA-N -1 1 388.382 1.609 20 0 GDADMM C[C@H](C(=O)N(C)CCNc1nccnc1-c1nn[n-]n1)c1ccc(F)c(F)c1 ZINC001573603244 947482341 /nfs/dbraw/zinc/48/23/41/947482341.db2.gz FLXLOAYIULJTFC-JTQLQIEISA-N -1 1 388.382 1.609 20 0 GDADMM C[C@@H](C(=O)N(C)CCN(C)c1cnc(-c2nnn[n-]2)cn1)c1cccc(F)c1 ZINC001573605162 947526329 /nfs/dbraw/zinc/52/63/29/947526329.db2.gz YYSIFUAEKSIESW-GFCCVEGCSA-N -1 1 384.419 1.494 20 0 GDADMM C[C@@H](C(=O)N(C)CCN(C)c1cnc(-c2nn[n-]n2)cn1)c1cccc(F)c1 ZINC001573605162 947526344 /nfs/dbraw/zinc/52/63/44/947526344.db2.gz YYSIFUAEKSIESW-GFCCVEGCSA-N -1 1 384.419 1.494 20 0 GDADMM C[C@H](C(=O)N1CC[C@](C)(CNc2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001573614770 947589745 /nfs/dbraw/zinc/58/97/45/947589745.db2.gz GZBODWKHQIEPJF-KPZWWZAWSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@H](C(=O)N1CC[C@](C)(CNc2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001573614770 947589750 /nfs/dbraw/zinc/58/97/50/947589750.db2.gz GZBODWKHQIEPJF-KPZWWZAWSA-N -1 1 382.428 1.704 20 0 GDADMM C=Cc1ccc(C(=O)N(C)[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001573351054 947608322 /nfs/dbraw/zinc/60/83/22/947608322.db2.gz JAVGPZBXPUQGRV-HNNXBMFYSA-N -1 1 376.424 1.651 20 0 GDADMM C=Cc1ccc(C(=O)N(C)[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001573351054 947608332 /nfs/dbraw/zinc/60/83/32/947608332.db2.gz JAVGPZBXPUQGRV-HNNXBMFYSA-N -1 1 376.424 1.651 20 0 GDADMM C=Cc1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001573351360 947613372 /nfs/dbraw/zinc/61/33/72/947613372.db2.gz LYCOFCARESECGN-MLGOLLRUSA-N -1 1 376.424 1.872 20 0 GDADMM C=Cc1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573351360 947613378 /nfs/dbraw/zinc/61/33/78/947613378.db2.gz LYCOFCARESECGN-MLGOLLRUSA-N -1 1 376.424 1.872 20 0 GDADMM COc1ccc(OC)c(CN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)C2CC2)c1 ZINC000826210882 947615845 /nfs/dbraw/zinc/61/58/45/947615845.db2.gz IJQUGQSJBZTFEI-UHFFFAOYSA-N -1 1 398.423 1.914 20 0 GDADMM COc1ccc(OC)c(CN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)C2CC2)c1 ZINC000826210882 947615851 /nfs/dbraw/zinc/61/58/51/947615851.db2.gz IJQUGQSJBZTFEI-UHFFFAOYSA-N -1 1 398.423 1.914 20 0 GDADMM C[C@H](C(=O)N1CCC(N(C)c2cnc(-c3nnn[n-]3)cn2)CC1)C(C)(F)F ZINC001573616402 947621961 /nfs/dbraw/zinc/62/19/61/947621961.db2.gz IKJKUXPWSQJWKD-SNVBAGLBSA-N -1 1 380.403 1.375 20 0 GDADMM C[C@H](C(=O)N1CCC(N(C)c2cnc(-c3nn[n-]n3)cn2)CC1)C(C)(F)F ZINC001573616402 947621964 /nfs/dbraw/zinc/62/19/64/947621964.db2.gz IKJKUXPWSQJWKD-SNVBAGLBSA-N -1 1 380.403 1.375 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@H](CNc2nccnc2-c2nnn[n-]2)C2CC2)cc1 ZINC001573354384 947632880 /nfs/dbraw/zinc/63/28/80/947632880.db2.gz BNAPOGYNTVZBQI-HNNXBMFYSA-N -1 1 376.424 1.920 20 0 GDADMM C=Cc1ccc(C(=O)N[C@@H](CNc2nccnc2-c2nn[n-]n2)C2CC2)cc1 ZINC001573354384 947632884 /nfs/dbraw/zinc/63/28/84/947632884.db2.gz BNAPOGYNTVZBQI-HNNXBMFYSA-N -1 1 376.424 1.920 20 0 GDADMM COc1cccc(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)c1O ZINC000826216711 947637560 /nfs/dbraw/zinc/63/75/60/947637560.db2.gz KQATUMBRUYBPKD-UHFFFAOYSA-N -1 1 384.396 1.870 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001573617508 947638701 /nfs/dbraw/zinc/63/87/01/947638701.db2.gz PLJDQBNEYLMFMZ-NXEZZACHSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001573617508 947638708 /nfs/dbraw/zinc/63/87/08/947638708.db2.gz PLJDQBNEYLMFMZ-NXEZZACHSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1ccsc1 ZINC001573618393 947650874 /nfs/dbraw/zinc/65/08/74/947650874.db2.gz RWEOJJGPJCGTND-NEPJUHHUSA-N -1 1 384.469 1.204 20 0 GDADMM C[C@H](C(=O)N1CCC(N(C)c2ccnc(-c3nn[n-]n3)n2)CC1)C1CCCC1 ZINC001573618802 947654833 /nfs/dbraw/zinc/65/48/33/947654833.db2.gz SERFARKWSKHXIO-ZDUSSCGKSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](C(=O)N1CCC(CN(C)c2cnc(-c3nnn[n-]3)cn2)CC1)C1CCC1 ZINC001573618900 947658262 /nfs/dbraw/zinc/65/82/62/947658262.db2.gz SVBYJVHVGQRJOR-ZDUSSCGKSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](C(=O)N1CCC(CN(C)c2cnc(-c3nn[n-]n3)cn2)CC1)C1CCC1 ZINC001573618900 947658267 /nfs/dbraw/zinc/65/82/67/947658267.db2.gz SVBYJVHVGQRJOR-ZDUSSCGKSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](C(=O)N1CCC(CNc2ccnc(-c3nn[n-]n3)n2)CC1)c1ccco1 ZINC001573619444 947665427 /nfs/dbraw/zinc/66/54/27/947665427.db2.gz WGMOLHJCTXZUEO-LBPRGKRZSA-N -1 1 382.428 1.126 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001573620127 947677187 /nfs/dbraw/zinc/67/71/87/947677187.db2.gz XVXNQELJGIADBU-ZJUUUORDSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001573620127 947677191 /nfs/dbraw/zinc/67/71/91/947677191.db2.gz XVXNQELJGIADBU-ZJUUUORDSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cccc(F)c1 ZINC001573625993 947707407 /nfs/dbraw/zinc/70/74/07/947707407.db2.gz RDVBNINXHBYFAC-SMDDNHRTSA-N -1 1 382.403 1.612 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cccc(F)c1 ZINC001573625993 947707419 /nfs/dbraw/zinc/70/74/19/947707419.db2.gz RDVBNINXHBYFAC-SMDDNHRTSA-N -1 1 382.403 1.612 20 0 GDADMM C/C(=C\C(=O)NCCCN(c1nc(C)cc(-c2nnn[n-]2)n1)C1CC1)C1CC1 ZINC001573364041 947718754 /nfs/dbraw/zinc/71/87/54/947718754.db2.gz OZKHHIVBQPDIOS-ZRDIBKRKSA-N -1 1 382.472 1.797 20 0 GDADMM C/C(=C\C(=O)NCCCN(c1nc(C)cc(-c2nn[n-]n2)n1)C1CC1)C1CC1 ZINC001573364041 947718757 /nfs/dbraw/zinc/71/87/57/947718757.db2.gz OZKHHIVBQPDIOS-ZRDIBKRKSA-N -1 1 382.472 1.797 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1ccccc1F ZINC001573627175 947720901 /nfs/dbraw/zinc/72/09/01/947720901.db2.gz ZXGDUZFHJLGQTQ-NWDGAFQWSA-N -1 1 382.403 1.612 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1ccccc1F ZINC001573627175 947720908 /nfs/dbraw/zinc/72/09/08/947720908.db2.gz ZXGDUZFHJLGQTQ-NWDGAFQWSA-N -1 1 382.403 1.612 20 0 GDADMM C/C(=C\C(=O)NC1(C)CCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1)C1CC1 ZINC001573364425 947721150 /nfs/dbraw/zinc/72/11/50/947721150.db2.gz PSQHVTPJJPKCTN-ZRDIBKRKSA-N -1 1 382.472 1.797 20 0 GDADMM C/C(=C\C(=O)NC1(C)CCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001573364425 947721153 /nfs/dbraw/zinc/72/11/53/947721153.db2.gz PSQHVTPJJPKCTN-ZRDIBKRKSA-N -1 1 382.472 1.797 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1)c1cccs1 ZINC001573627428 947721611 /nfs/dbraw/zinc/72/16/11/947721611.db2.gz BFDAGXRWHPPTRL-NEPJUHHUSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1)c1cccs1 ZINC001573627428 947721614 /nfs/dbraw/zinc/72/16/14/947721614.db2.gz BFDAGXRWHPPTRL-NEPJUHHUSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1)C(C)(F)F ZINC001573627694 947732360 /nfs/dbraw/zinc/73/23/60/947732360.db2.gz FCKLOSDGFWLRLQ-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1)C(C)(F)F ZINC001573627694 947732372 /nfs/dbraw/zinc/73/23/72/947732372.db2.gz FCKLOSDGFWLRLQ-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM C/C(=C\C(=O)N[C@@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C12CCC2)C1CC1 ZINC001573366756 947745214 /nfs/dbraw/zinc/74/52/14/947745214.db2.gz XYJBRWYEJPFEMK-SNVZYIDKSA-N -1 1 380.456 1.852 20 0 GDADMM C/C(=C\C(=O)N[C@@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C12CCC2)C1CC1 ZINC001573366756 947745221 /nfs/dbraw/zinc/74/52/21/947745221.db2.gz XYJBRWYEJPFEMK-SNVZYIDKSA-N -1 1 380.456 1.852 20 0 GDADMM CC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)c(C)c1)c1ccccc1F ZINC001573367240 947756844 /nfs/dbraw/zinc/75/68/44/947756844.db2.gz YRXGEADKTVCMCM-MRXNPFEDSA-N -1 1 389.412 1.923 20 0 GDADMM C[C@@H](C(=O)N1CCC2(C1)CCN(c1nccnc1-c1nnn[n-]1)CC2)C1CC1 ZINC001573628650 947761910 /nfs/dbraw/zinc/76/19/10/947761910.db2.gz JENRKXNCEHEFJV-CYBMUJFWSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H](C(=O)N1CCC2(C1)CCN(c1nccnc1-c1nn[n-]n1)CC2)C1CC1 ZINC001573628650 947761916 /nfs/dbraw/zinc/76/19/16/947761916.db2.gz JENRKXNCEHEFJV-CYBMUJFWSA-N -1 1 382.472 1.522 20 0 GDADMM CC(=O)CCCC(=O)N1C[C@@H](C)[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573367757 947762852 /nfs/dbraw/zinc/76/28/52/947762852.db2.gz HURBPQDRHXJRRW-BXKDBHETSA-N -1 1 377.474 1.650 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@@H]1Cc1ccc(O)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001573629375 947777745 /nfs/dbraw/zinc/77/77/45/947777745.db2.gz SHTAWLWHSIOZML-TZMCWYRMSA-N -1 1 382.428 1.349 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001573372837 947784286 /nfs/dbraw/zinc/78/42/86/947784286.db2.gz DNGIOPXZCUXTEB-OCCSQVGLSA-N -1 1 386.460 1.313 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001573372837 947784287 /nfs/dbraw/zinc/78/42/87/947784287.db2.gz DNGIOPXZCUXTEB-OCCSQVGLSA-N -1 1 386.460 1.313 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@@H]1[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001573372921 947786864 /nfs/dbraw/zinc/78/68/64/947786864.db2.gz GAXGMWMCQREHIX-UKRRQHHQSA-N -1 1 386.460 1.598 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@@H]1[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001573372921 947786868 /nfs/dbraw/zinc/78/68/68/947786868.db2.gz GAXGMWMCQREHIX-UKRRQHHQSA-N -1 1 386.460 1.598 20 0 GDADMM C[C@H](C(=O)N1CCC[C@](CO)(Nc2nccnc2-c2nnn[n-]2)C1)C(C)(C)C ZINC001573631361 947799868 /nfs/dbraw/zinc/79/98/68/947799868.db2.gz UTBQOYCEZPJZEJ-XIKOKIGWSA-N -1 1 388.476 1.104 20 0 GDADMM C[C@H](C(=O)N1CCC[C@](CO)(Nc2nccnc2-c2nn[n-]n2)C1)C(C)(C)C ZINC001573631361 947799873 /nfs/dbraw/zinc/79/98/73/947799873.db2.gz UTBQOYCEZPJZEJ-XIKOKIGWSA-N -1 1 388.476 1.104 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@H]1[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001573374723 947814391 /nfs/dbraw/zinc/81/43/91/947814391.db2.gz PMUWFSVKRDYQMC-KBPBESRZSA-N -1 1 386.460 1.598 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@H]1[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001573374723 947814399 /nfs/dbraw/zinc/81/43/99/947814399.db2.gz PMUWFSVKRDYQMC-KBPBESRZSA-N -1 1 386.460 1.598 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)[C@H]1C ZINC001573375267 947819115 /nfs/dbraw/zinc/81/91/15/947819115.db2.gz NIWMKSUGLWKHPG-KBPBESRZSA-N -1 1 386.460 1.198 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)[C@H]1C ZINC001573375267 947819122 /nfs/dbraw/zinc/81/91/22/947819122.db2.gz NIWMKSUGLWKHPG-KBPBESRZSA-N -1 1 386.460 1.198 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@H](C)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573376126 947829035 /nfs/dbraw/zinc/82/90/35/947829035.db2.gz WWMUIHBWIBDUKW-WFASDCNBSA-N -1 1 386.460 1.455 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@H](C)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573376126 947829043 /nfs/dbraw/zinc/82/90/43/947829043.db2.gz WWMUIHBWIBDUKW-WFASDCNBSA-N -1 1 386.460 1.455 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@@H](C)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573376599 947837725 /nfs/dbraw/zinc/83/77/25/947837725.db2.gz ACFRHVPDHQCNNP-OCCSQVGLSA-N -1 1 386.460 1.455 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@@H](C)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573376599 947837731 /nfs/dbraw/zinc/83/77/31/947837731.db2.gz ACFRHVPDHQCNNP-OCCSQVGLSA-N -1 1 386.460 1.455 20 0 GDADMM CC(C(=O)N1CCC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)=C1CCC1 ZINC001573638802 947843336 /nfs/dbraw/zinc/84/33/36/947843336.db2.gz VREGWIJZSJJIAK-GOEBONIOSA-N -1 1 380.456 1.584 20 0 GDADMM CC(C(=O)N1CCC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)=C1CCC1 ZINC001573638802 947843344 /nfs/dbraw/zinc/84/33/44/947843344.db2.gz VREGWIJZSJJIAK-GOEBONIOSA-N -1 1 380.456 1.584 20 0 GDADMM C[C@@H](C(=O)N1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)CC1)n1cccc1 ZINC001573639704 947846259 /nfs/dbraw/zinc/84/62/59/947846259.db2.gz BNDLKLNZXMSIEE-JTQLQIEISA-N -1 1 392.876 1.688 20 0 GDADMM C[C@@H](C(=O)N1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)CC1)n1cccc1 ZINC001573639704 947846265 /nfs/dbraw/zinc/84/62/65/947846265.db2.gz BNDLKLNZXMSIEE-JTQLQIEISA-N -1 1 392.876 1.688 20 0 GDADMM C[C@@H](C(=O)N1CCO[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)C1CCCC1 ZINC001573641638 947856375 /nfs/dbraw/zinc/85/63/75/947856375.db2.gz MKQUZSOCKKMBOH-OCCSQVGLSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](C(=O)N1CCO[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573641638 947856381 /nfs/dbraw/zinc/85/63/81/947856381.db2.gz MKQUZSOCKKMBOH-OCCSQVGLSA-N -1 1 386.460 1.122 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)[C@H](C)C1 ZINC001573380357 947858968 /nfs/dbraw/zinc/85/89/68/947858968.db2.gz CATGIOMSQVIGNK-MFKMUULPSA-N -1 1 391.501 1.864 20 0 GDADMM CC(=O)CCCC(=O)NC[C@@H]1CCCCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001573380923 947866982 /nfs/dbraw/zinc/86/69/82/947866982.db2.gz KCFAKDPMSIFKNJ-AWEZNQCLSA-N -1 1 386.460 1.281 20 0 GDADMM CC(=O)CCCC(=O)NC[C@@H]1CCCCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001573380923 947866993 /nfs/dbraw/zinc/86/69/93/947866993.db2.gz KCFAKDPMSIFKNJ-AWEZNQCLSA-N -1 1 386.460 1.281 20 0 GDADMM CC(=O)CCCC(=O)NC[C@H]1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001573381507 947875317 /nfs/dbraw/zinc/87/53/17/947875317.db2.gz WPPBVESJQUCGLN-CQSZACIVSA-N -1 1 386.460 1.057 20 0 GDADMM CC(=O)CCCC(=O)NC[C@H]1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001573381507 947875324 /nfs/dbraw/zinc/87/53/24/947875324.db2.gz WPPBVESJQUCGLN-CQSZACIVSA-N -1 1 386.460 1.057 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001573381791 947879223 /nfs/dbraw/zinc/87/92/23/947879223.db2.gz ZEPISZNLCLNOJD-SECBINFHSA-N -1 1 383.865 1.431 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001573381791 947879229 /nfs/dbraw/zinc/87/92/29/947879229.db2.gz ZEPISZNLCLNOJD-SECBINFHSA-N -1 1 383.865 1.431 20 0 GDADMM CC(=O)CCCC(=O)NC[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1 ZINC001573382130 947882803 /nfs/dbraw/zinc/88/28/03/947882803.db2.gz FBUMLKVVFSPFPU-CYBMUJFWSA-N -1 1 392.485 1.005 20 0 GDADMM CC(=O)CCCC(=O)NC[C@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1 ZINC001573382134 947883164 /nfs/dbraw/zinc/88/31/64/947883164.db2.gz FBUMLKVVFSPFPU-ZDUSSCGKSA-N -1 1 392.485 1.005 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](CNc2cncc(-c3nnn[n-]3)n2)[C@H](C)C1)C(C)(F)F ZINC001573647310 947888807 /nfs/dbraw/zinc/88/88/07/947888807.db2.gz HQIMWQLLAYTVAE-GMTAPVOTSA-N -1 1 380.403 1.454 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](CNc2cncc(-c3nn[n-]n3)n2)[C@H](C)C1)C(C)(F)F ZINC001573647310 947888811 /nfs/dbraw/zinc/88/88/11/947888811.db2.gz HQIMWQLLAYTVAE-GMTAPVOTSA-N -1 1 380.403 1.454 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C(C)(C)C)C(F)(F)F ZINC001573652091 947929238 /nfs/dbraw/zinc/92/92/38/947929238.db2.gz AVJWLOPWEUQFPK-SCZZXKLOSA-N -1 1 386.382 1.798 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C(C)(C)C)C(F)(F)F ZINC001573652091 947929243 /nfs/dbraw/zinc/92/92/43/947929243.db2.gz AVJWLOPWEUQFPK-SCZZXKLOSA-N -1 1 386.382 1.798 20 0 GDADMM C[C@@H](C(=O)N[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C(C)(C)C)c1ccco1 ZINC001573652897 947947973 /nfs/dbraw/zinc/94/79/73/947947973.db2.gz HZOLAQQKKHTDEN-YPMHNXCESA-N -1 1 384.444 1.418 20 0 GDADMM Cc1onc(CC(=O)N(C)[C@H](C)CNC(=O)OC(C)(C)C)c1-c1nnn[n-]1 ZINC000826342931 947985938 /nfs/dbraw/zinc/98/59/38/947985938.db2.gz GDOXZKNSLSLEJF-SECBINFHSA-N -1 1 379.421 1.077 20 0 GDADMM Cc1onc(CC(=O)N(C)[C@H](C)CNC(=O)OC(C)(C)C)c1-c1nn[n-]n1 ZINC000826342931 947985945 /nfs/dbraw/zinc/98/59/45/947985945.db2.gz GDOXZKNSLSLEJF-SECBINFHSA-N -1 1 379.421 1.077 20 0 GDADMM Cc1onc(CC(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1-c1nnn[n-]1 ZINC000826342901 947986770 /nfs/dbraw/zinc/98/67/70/947986770.db2.gz DVGCPLCYSMUONA-NSHDSACASA-N -1 1 393.411 1.506 20 0 GDADMM Cc1onc(CC(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1-c1nn[n-]n1 ZINC000826342901 947986779 /nfs/dbraw/zinc/98/67/79/947986779.db2.gz DVGCPLCYSMUONA-NSHDSACASA-N -1 1 393.411 1.506 20 0 GDADMM Cc1onc(CC(=O)N2CCC(OC[C@H]3CCCCO3)CC2)c1-c1nnn[n-]1 ZINC000826344019 948000558 /nfs/dbraw/zinc/00/05/58/948000558.db2.gz VBMXQIKBGFENKR-CQSZACIVSA-N -1 1 390.444 1.282 20 0 GDADMM Cc1onc(CC(=O)N2CCC(OC[C@H]3CCCCO3)CC2)c1-c1nn[n-]n1 ZINC000826344019 948000572 /nfs/dbraw/zinc/00/05/72/948000572.db2.gz VBMXQIKBGFENKR-CQSZACIVSA-N -1 1 390.444 1.282 20 0 GDADMM C[C@H](C(=O)NC1(CNc2ccnc(-c3nn[n-]n3)n2)CCCC1)c1ccco1 ZINC001573657627 948001196 /nfs/dbraw/zinc/00/11/96/948001196.db2.gz NUAFELHDHGBFFU-LBPRGKRZSA-N -1 1 382.428 1.316 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@H](NC(=O)OC(C)(C)C)C2)c1-c1nnn[n-]1 ZINC000826344577 948009158 /nfs/dbraw/zinc/00/91/58/948009158.db2.gz LNDGBFAQMUTPRD-NSHDSACASA-N -1 1 391.432 1.221 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@H](NC(=O)OC(C)(C)C)C2)c1-c1nn[n-]n1 ZINC000826344577 948009163 /nfs/dbraw/zinc/00/91/63/948009163.db2.gz LNDGBFAQMUTPRD-NSHDSACASA-N -1 1 391.432 1.221 20 0 GDADMM C[C@H](C(=O)N[C@@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cccs1 ZINC001573659427 948013973 /nfs/dbraw/zinc/01/39/73/948013973.db2.gz VOESUBBDHFJVSH-GTNSWQLSSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)N[C@@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573659427 948013980 /nfs/dbraw/zinc/01/39/80/948013980.db2.gz VOESUBBDHFJVSH-GTNSWQLSSA-N -1 1 384.469 1.607 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](C)c2cn(-c3ccccc3)nn2)c1-c1nnn[n-]1 ZINC000826345494 948026050 /nfs/dbraw/zinc/02/60/50/948026050.db2.gz MFKMWKCMWHXRDV-JTQLQIEISA-N -1 1 379.384 1.164 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](C)c2cn(-c3ccccc3)nn2)c1-c1nn[n-]n1 ZINC000826345494 948026062 /nfs/dbraw/zinc/02/60/62/948026062.db2.gz MFKMWKCMWHXRDV-JTQLQIEISA-N -1 1 379.384 1.164 20 0 GDADMM C[C@H](C(=O)NC1(CNc2cncc(-c3nnn[n-]3)n2)CCCC1)C(F)(F)F ZINC001573662424 948027936 /nfs/dbraw/zinc/02/79/36/948027936.db2.gz DUFVSLMXKKTLFI-SECBINFHSA-N -1 1 384.366 1.696 20 0 GDADMM C[C@H](C(=O)NC1(CNc2cncc(-c3nn[n-]n3)n2)CCCC1)C(F)(F)F ZINC001573662424 948027943 /nfs/dbraw/zinc/02/79/43/948027943.db2.gz DUFVSLMXKKTLFI-SECBINFHSA-N -1 1 384.366 1.696 20 0 GDADMM Cc1onc(CC(=O)NCc2cnn(Cc3ccccc3)c2)c1-c1nnn[n-]1 ZINC000826347767 948059836 /nfs/dbraw/zinc/05/98/36/948059836.db2.gz FHZAMJLLSPLLEI-UHFFFAOYSA-N -1 1 378.396 1.267 20 0 GDADMM Cc1onc(CC(=O)NCc2cnn(Cc3ccccc3)c2)c1-c1nn[n-]n1 ZINC000826347767 948059845 /nfs/dbraw/zinc/05/98/45/948059845.db2.gz FHZAMJLLSPLLEI-UHFFFAOYSA-N -1 1 378.396 1.267 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cccs1 ZINC001573664835 948061703 /nfs/dbraw/zinc/06/17/03/948061703.db2.gz HAFHMUDICPVWDH-VXGBXAGGSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cccs1 ZINC001573664835 948061710 /nfs/dbraw/zinc/06/17/10/948061710.db2.gz HAFHMUDICPVWDH-VXGBXAGGSA-N -1 1 384.469 1.607 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(N3CCCC3=O)c(F)c2)c1-c1nnn[n-]1 ZINC000826348396 948074298 /nfs/dbraw/zinc/07/42/98/948074298.db2.gz KDCCRHRKDDGFRK-UHFFFAOYSA-N -1 1 385.359 1.610 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(N3CCCC3=O)c(F)c2)c1-c1nn[n-]n1 ZINC000826348396 948074312 /nfs/dbraw/zinc/07/43/12/948074312.db2.gz KDCCRHRKDDGFRK-UHFFFAOYSA-N -1 1 385.359 1.610 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cccs1 ZINC001573666233 948083564 /nfs/dbraw/zinc/08/35/64/948083564.db2.gz RIKMFWXYGHJUMT-NEPJUHHUSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cccs1 ZINC001573666233 948083574 /nfs/dbraw/zinc/08/35/74/948083574.db2.gz RIKMFWXYGHJUMT-NEPJUHHUSA-N -1 1 384.469 1.607 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(Sc3nncn3C)cc2)c1-c1nnn[n-]1 ZINC000826348883 948084228 /nfs/dbraw/zinc/08/42/28/948084228.db2.gz JVTAYKCNLJVDCJ-UHFFFAOYSA-N -1 1 397.424 1.624 20 0 GDADMM Cc1onc(CC(=O)Nc2ccc(Sc3nncn3C)cc2)c1-c1nn[n-]n1 ZINC000826348883 948084235 /nfs/dbraw/zinc/08/42/35/948084235.db2.gz JVTAYKCNLJVDCJ-UHFFFAOYSA-N -1 1 397.424 1.624 20 0 GDADMM Cc1onc(CC(=O)Nc2cccc(OCCn3cncn3)c2)c1-c1nnn[n-]1 ZINC000826349003 948086196 /nfs/dbraw/zinc/08/61/96/948086196.db2.gz PMIXAVNSHIDCKI-UHFFFAOYSA-N -1 1 395.383 1.015 20 0 GDADMM Cc1onc(CC(=O)Nc2cccc(OCCn3cncn3)c2)c1-c1nn[n-]n1 ZINC000826349003 948086206 /nfs/dbraw/zinc/08/62/06/948086206.db2.gz PMIXAVNSHIDCKI-UHFFFAOYSA-N -1 1 395.383 1.015 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cccs1 ZINC001573666724 948088749 /nfs/dbraw/zinc/08/87/49/948088749.db2.gz VSFFINSXQQSDSX-NEPJUHHUSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cccs1 ZINC001573666724 948088760 /nfs/dbraw/zinc/08/87/60/948088760.db2.gz VSFFINSXQQSDSX-NEPJUHHUSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)NC1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1)C(F)(F)F ZINC001573667063 948094063 /nfs/dbraw/zinc/09/40/63/948094063.db2.gz XKJOAYNPUIVDEJ-IDKOKCKLSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](C(=O)NC1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1)C(F)(F)F ZINC001573667063 948094072 /nfs/dbraw/zinc/09/40/72/948094072.db2.gz XKJOAYNPUIVDEJ-IDKOKCKLSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C)C1CCCC1 ZINC001573678349 948148446 /nfs/dbraw/zinc/14/84/46/948148446.db2.gz HEIDERYNOQCKMS-DOMZBBRYSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C)C1CCCC1 ZINC001573678349 948148449 /nfs/dbraw/zinc/14/84/49/948148449.db2.gz HEIDERYNOQCKMS-DOMZBBRYSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](C(=O)NC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1)c1ccsc1 ZINC001573680497 948181158 /nfs/dbraw/zinc/18/11/58/948181158.db2.gz OEQKRQYPBNBLSW-ZWNOBZJWSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)NC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1)c1ccsc1 ZINC001573680497 948181162 /nfs/dbraw/zinc/18/11/62/948181162.db2.gz OEQKRQYPBNBLSW-ZWNOBZJWSA-N -1 1 384.469 1.829 20 0 GDADMM CC(C)[C@@H](CNC(=O)[C@H](C)c1ccsc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573680657 948183696 /nfs/dbraw/zinc/18/36/96/948183696.db2.gz PCUZUIIZYPRDOO-DGCLKSJQSA-N -1 1 386.485 1.497 20 0 GDADMM C[C@H](C(=O)N[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C)C(F)(F)F ZINC001573681099 948195529 /nfs/dbraw/zinc/19/55/29/948195529.db2.gz UIXPHTALXCMSGW-SCZZXKLOSA-N -1 1 384.366 1.186 20 0 GDADMM C[C@H](C(=O)N[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C)C(F)(F)F ZINC001573681099 948195532 /nfs/dbraw/zinc/19/55/32/948195532.db2.gz UIXPHTALXCMSGW-SCZZXKLOSA-N -1 1 384.366 1.186 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCCC1)[C@@H]1CCCO1 ZINC001573692091 948254587 /nfs/dbraw/zinc/25/45/87/948254587.db2.gz LIBFHGRWRJALKG-OCCSQVGLSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCCC1)[C@@H]1CCCO1 ZINC001573692091 948254595 /nfs/dbraw/zinc/25/45/95/948254595.db2.gz LIBFHGRWRJALKG-OCCSQVGLSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](C(=O)NC[C@@H](O)CNc1snc(Cl)c1-c1nnn[n-]1)C(C)(C)C ZINC001573692659 948269464 /nfs/dbraw/zinc/26/94/64/948269464.db2.gz QFIHAQBNLOIWRW-JGVFFNPUSA-N -1 1 387.897 1.548 20 0 GDADMM C[C@@H](C(=O)NC[C@@H](O)CNc1snc(Cl)c1-c1nn[n-]n1)C(C)(C)C ZINC001573692659 948269475 /nfs/dbraw/zinc/26/94/75/948269475.db2.gz QFIHAQBNLOIWRW-JGVFFNPUSA-N -1 1 387.897 1.548 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)C1CCCC1 ZINC001573696259 948319934 /nfs/dbraw/zinc/31/99/34/948319934.db2.gz MSJWQZNIWRLAKJ-CYUUQNCZSA-N -1 1 382.472 1.281 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)C1CCCC1 ZINC001573696259 948319943 /nfs/dbraw/zinc/31/99/43/948319943.db2.gz MSJWQZNIWRLAKJ-CYUUQNCZSA-N -1 1 382.472 1.281 20 0 GDADMM C[C@@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)s2)C1)C1CCCC1 ZINC001573696570 948329411 /nfs/dbraw/zinc/32/94/11/948329411.db2.gz SFBBAMIKAWWZNF-GFCCVEGCSA-N -1 1 390.513 1.417 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573702632 948349378 /nfs/dbraw/zinc/34/93/78/948349378.db2.gz GGBHDELBMCCTOC-VHSXEESVSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573702630 948349732 /nfs/dbraw/zinc/34/97/32/948349732.db2.gz GGBHDELBMCCTOC-NXEZZACHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573702824 948349755 /nfs/dbraw/zinc/34/97/55/948349755.db2.gz GGBHDELBMCCTOC-ZJUUUORDSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001573703142 948350570 /nfs/dbraw/zinc/35/05/70/948350570.db2.gz IJXZDXZMYMRXLO-KBPBESRZSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001573703142 948350577 /nfs/dbraw/zinc/35/05/77/948350577.db2.gz IJXZDXZMYMRXLO-KBPBESRZSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573703196 948352599 /nfs/dbraw/zinc/35/25/99/948352599.db2.gz IVJLJXCAPPIOMP-ZIAGYGMSSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1)c1cccnc1 ZINC001573704195 948367763 /nfs/dbraw/zinc/36/77/63/948367763.db2.gz QITGWPXLEXADMG-LKSINWNRSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@@H](C(=O)NCC1CC(Nc2cncc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573704195 948367771 /nfs/dbraw/zinc/36/77/71/948367771.db2.gz QITGWPXLEXADMG-LKSINWNRSA-N -1 1 379.428 1.162 20 0 GDADMM O=C(c1ccccc1NCc1ccnc(-c2nnn[n-]2)c1)N1CCC[C@@H]1CO ZINC000826474386 948373300 /nfs/dbraw/zinc/37/33/00/948373300.db2.gz NMHZOTRCIXIIKP-CQSZACIVSA-N -1 1 379.424 1.471 20 0 GDADMM O=C(c1ccccc1NCc1ccnc(-c2nn[n-]n2)c1)N1CCC[C@@H]1CO ZINC000826474386 948373306 /nfs/dbraw/zinc/37/33/06/948373306.db2.gz NMHZOTRCIXIIKP-CQSZACIVSA-N -1 1 379.424 1.471 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cccs1 ZINC001573704795 948382329 /nfs/dbraw/zinc/38/23/29/948382329.db2.gz DSIOLTLCMYRXLO-RYUDHWBXSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cccs1 ZINC001573704795 948382336 /nfs/dbraw/zinc/38/23/36/948382336.db2.gz DSIOLTLCMYRXLO-RYUDHWBXSA-N -1 1 384.469 1.464 20 0 GDADMM C[C@H](C(=O)NCC1CCN(c2nccnc2-c2nnn[n-]2)CC1)C(C)(F)F ZINC001573705565 948403900 /nfs/dbraw/zinc/40/39/00/948403900.db2.gz IJQPAMGMFHAQSM-SNVBAGLBSA-N -1 1 380.403 1.281 20 0 GDADMM C[C@H](C(=O)NCC1CCN(c2nccnc2-c2nn[n-]n2)CC1)C(C)(F)F ZINC001573705565 948403904 /nfs/dbraw/zinc/40/39/04/948403904.db2.gz IJQPAMGMFHAQSM-SNVBAGLBSA-N -1 1 380.403 1.281 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)c1cccs1 ZINC001573705752 948407897 /nfs/dbraw/zinc/40/78/97/948407897.db2.gz YHQKWNWNTDEOCV-NEPJUHHUSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)c1cccs1 ZINC001573705752 948407899 /nfs/dbraw/zinc/40/78/99/948407899.db2.gz YHQKWNWNTDEOCV-NEPJUHHUSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C(F)(F)F ZINC001573709011 948463337 /nfs/dbraw/zinc/46/33/37/948463337.db2.gz ZCFHVCAWLNEMDE-SECBINFHSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@H](C(=O)NCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C(F)(F)F ZINC001573709011 948463339 /nfs/dbraw/zinc/46/33/39/948463339.db2.gz ZCFHVCAWLNEMDE-SECBINFHSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1)c1c(F)cccc1F ZINC001573715062 948482552 /nfs/dbraw/zinc/48/25/52/948482552.db2.gz NSCUFLFETISXGN-JTQLQIEISA-N -1 1 388.382 1.291 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1)c1c(F)cccc1F ZINC001573715062 948482555 /nfs/dbraw/zinc/48/25/55/948482555.db2.gz NSCUFLFETISXGN-JTQLQIEISA-N -1 1 388.382 1.291 20 0 GDADMM C[C@@H](C(=O)NCC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1CCCC1 ZINC001573715075 948482704 /nfs/dbraw/zinc/48/27/04/948482704.db2.gz OAYZMZKIRZCVNV-ZIAGYGMSSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NCC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1CCCC1 ZINC001573715075 948482710 /nfs/dbraw/zinc/48/27/10/948482710.db2.gz OAYZMZKIRZCVNV-ZIAGYGMSSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1)c1ccc(F)c(F)c1 ZINC001573715050 948483100 /nfs/dbraw/zinc/48/31/00/948483100.db2.gz NKRWUNLTGPSECB-JTQLQIEISA-N -1 1 388.382 1.291 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nn1)c1ccc(F)c(F)c1 ZINC001573715050 948483103 /nfs/dbraw/zinc/48/31/03/948483103.db2.gz NKRWUNLTGPSECB-JTQLQIEISA-N -1 1 388.382 1.291 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1nc(Cl)c(-c2nnn[n-]2)s1)c1ccco1 ZINC001573717468 948508549 /nfs/dbraw/zinc/50/85/49/948508549.db2.gz CRSGMSZKQNWWHH-MRVPVSSYSA-N -1 1 381.849 1.926 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1nc(Cl)c(-c2nn[n-]n2)s1)c1ccco1 ZINC001573717468 948508555 /nfs/dbraw/zinc/50/85/55/948508555.db2.gz CRSGMSZKQNWWHH-MRVPVSSYSA-N -1 1 381.849 1.926 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1nc(Cl)c(-c2nnn[n-]2)s1)C(C)(F)F ZINC001573719212 948523456 /nfs/dbraw/zinc/52/34/56/948523456.db2.gz LJEHOPOHVYJFJS-LURJTMIESA-N -1 1 379.824 1.820 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1nc(Cl)c(-c2nn[n-]n2)s1)C(C)(F)F ZINC001573719212 948523460 /nfs/dbraw/zinc/52/34/60/948523460.db2.gz LJEHOPOHVYJFJS-LURJTMIESA-N -1 1 379.824 1.820 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C)c1ccco1 ZINC001573728155 948559250 /nfs/dbraw/zinc/55/92/50/948559250.db2.gz PMHDMOMCXPSRFB-FRRDWIJNSA-N -1 1 382.428 1.242 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C)c1ccco1 ZINC001573728155 948559257 /nfs/dbraw/zinc/55/92/57/948559257.db2.gz PMHDMOMCXPSRFB-FRRDWIJNSA-N -1 1 382.428 1.242 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccco1 ZINC001573729575 948570094 /nfs/dbraw/zinc/57/00/94/948570094.db2.gz UZGRXJSUZRUNKV-RWMBFGLXSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001573729575 948570101 /nfs/dbraw/zinc/57/01/01/948570101.db2.gz UZGRXJSUZRUNKV-RWMBFGLXSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](C(=O)NC[C@]12CCC[C@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2)C1CC1 ZINC001573730344 948579371 /nfs/dbraw/zinc/57/93/71/948579371.db2.gz OPNBHWULJGOAAQ-BBEGDGIKSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](C(=O)NCc1ccnc(-c2nnn[n-]2)c1)n1ccc2ccccc2c1=O ZINC001573730924 948585904 /nfs/dbraw/zinc/58/59/04/948585904.db2.gz SMFKAFSXFLCHIB-LBPRGKRZSA-N -1 1 375.392 1.454 20 0 GDADMM C[C@@H](C(=O)NCc1ccnc(-c2nn[n-]n2)c1)n1ccc2ccccc2c1=O ZINC001573730924 948585907 /nfs/dbraw/zinc/58/59/07/948585907.db2.gz SMFKAFSXFLCHIB-LBPRGKRZSA-N -1 1 375.392 1.454 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H](C)c1ccc(F)cc1F ZINC001573732332 948601430 /nfs/dbraw/zinc/60/14/30/948601430.db2.gz NENKKSKWDTXJBQ-UWVGGRQHSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H](C)c1ccc(F)cc1F ZINC001573732332 948601435 /nfs/dbraw/zinc/60/14/35/948601435.db2.gz NENKKSKWDTXJBQ-UWVGGRQHSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1)n1cccc1 ZINC001573736077 948612910 /nfs/dbraw/zinc/61/29/10/948612910.db2.gz GUKNOZWTBFZHSY-BFHYXJOUSA-N -1 1 381.444 1.559 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1)n1cccc1 ZINC001573736077 948612915 /nfs/dbraw/zinc/61/29/15/948612915.db2.gz GUKNOZWTBFZHSY-BFHYXJOUSA-N -1 1 381.444 1.559 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)C[C@H]1C)C1CC1 ZINC001573740477 948636423 /nfs/dbraw/zinc/63/64/23/948636423.db2.gz PTRYRAYJCUKTJD-NQMVMOMDSA-N -1 1 381.893 1.964 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)C[C@H]1C)C1CC1 ZINC001573740477 948636426 /nfs/dbraw/zinc/63/64/26/948636426.db2.gz PTRYRAYJCUKTJD-NQMVMOMDSA-N -1 1 381.893 1.964 20 0 GDADMM CC(C)[C@H](F)C(=O)N1CC[C@]2(C1)CCCN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001574075658 948748078 /nfs/dbraw/zinc/74/80/78/948748078.db2.gz YJTUMDPGDXCAQY-KBXCAEBGSA-N -1 1 388.451 1.470 20 0 GDADMM C[C@@H](CNC(=O)CCc1ccc(F)cc1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574914481 948751253 /nfs/dbraw/zinc/75/12/53/948751253.db2.gz KMJRNSGTTLNJFW-LBPRGKRZSA-N -1 1 384.419 1.370 20 0 GDADMM C[C@@H](CNC(=O)CCc1ccc(F)cc1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574914481 948751261 /nfs/dbraw/zinc/75/12/61/948751261.db2.gz KMJRNSGTTLNJFW-LBPRGKRZSA-N -1 1 384.419 1.370 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@H]2CCCCN2c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575222202 948754883 /nfs/dbraw/zinc/75/48/83/948754883.db2.gz GIEZYWCRSCQJJQ-LLVKDONJSA-N -1 1 392.414 1.567 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCCN(c3cncc(-c4nnn[n-]4)n3)CC2)CC1 ZINC001575223295 948760615 /nfs/dbraw/zinc/76/06/15/948760615.db2.gz NAUORZZFXWGKJH-UHFFFAOYSA-N -1 1 378.387 1.131 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCCN(c3cncc(-c4nn[n-]n4)n3)CC2)CC1 ZINC001575223295 948760623 /nfs/dbraw/zinc/76/06/23/948760623.db2.gz NAUORZZFXWGKJH-UHFFFAOYSA-N -1 1 378.387 1.131 20 0 GDADMM CC(C)c1cccc(C(=O)NCC2(Nc3cnc(-c4nnn[n-]4)cn3)CC2)n1 ZINC001574417034 948763751 /nfs/dbraw/zinc/76/37/51/948763751.db2.gz JTZGMWJHYASLLK-UHFFFAOYSA-N -1 1 379.428 1.550 20 0 GDADMM CC(C)c1cccc(C(=O)NCC2(Nc3cnc(-c4nn[n-]n4)cn3)CC2)n1 ZINC001574417034 948763761 /nfs/dbraw/zinc/76/37/61/948763761.db2.gz JTZGMWJHYASLLK-UHFFFAOYSA-N -1 1 379.428 1.550 20 0 GDADMM CC(F)(F)CC(=O)NC1(CNc2ccc(-c3nnn[n-]3)nn2)CCCCC1 ZINC001575223324 948763870 /nfs/dbraw/zinc/76/38/70/948763870.db2.gz ADKVTOMGSHWRCX-UHFFFAOYSA-N -1 1 380.403 1.933 20 0 GDADMM CC(F)(F)CC(=O)NC1(CNc2ccc(-c3nn[n-]n3)nn2)CCCCC1 ZINC001575223324 948763883 /nfs/dbraw/zinc/76/38/83/948763883.db2.gz ADKVTOMGSHWRCX-UHFFFAOYSA-N -1 1 380.403 1.933 20 0 GDADMM C[C@@H](CNC(=O)CCc1c[nH]c2ccccc12)Nc1nccnc1-c1nnn[n-]1 ZINC001574915687 948769733 /nfs/dbraw/zinc/76/97/33/948769733.db2.gz WOZGYWVRDKAIFO-LBPRGKRZSA-N -1 1 391.439 1.687 20 0 GDADMM C[C@@H](CNC(=O)CCc1c[nH]c2ccccc12)Nc1nccnc1-c1nn[n-]n1 ZINC001574915687 948769743 /nfs/dbraw/zinc/76/97/43/948769743.db2.gz WOZGYWVRDKAIFO-LBPRGKRZSA-N -1 1 391.439 1.687 20 0 GDADMM CC(F)(F)C1(C(=O)N2CC[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001575223911 948774617 /nfs/dbraw/zinc/77/46/17/948774617.db2.gz PBVGEFQXMKPNJO-SNVBAGLBSA-N -1 1 378.387 1.353 20 0 GDADMM CC(F)(F)C1(C(=O)N2CC[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575223911 948774626 /nfs/dbraw/zinc/77/46/26/948774626.db2.gz PBVGEFQXMKPNJO-SNVBAGLBSA-N -1 1 378.387 1.353 20 0 GDADMM CC(F)(F)C1(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)nn3)CCCC2)CC1 ZINC001575223983 948778326 /nfs/dbraw/zinc/77/83/26/948778326.db2.gz RXPHZINUXORCNQ-UHFFFAOYSA-N -1 1 392.414 1.933 20 0 GDADMM CC(F)(F)C1(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)nn3)CCCC2)CC1 ZINC001575223983 948778335 /nfs/dbraw/zinc/77/83/35/948778335.db2.gz RXPHZINUXORCNQ-UHFFFAOYSA-N -1 1 392.414 1.933 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CCC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001575223980 948779263 /nfs/dbraw/zinc/77/92/63/948779263.db2.gz RTDXVOVYLBPJJL-MNOVXSKESA-N -1 1 392.414 1.931 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CCC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575223980 948779277 /nfs/dbraw/zinc/77/92/77/948779277.db2.gz RTDXVOVYLBPJJL-MNOVXSKESA-N -1 1 392.414 1.931 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001575224327 948782634 /nfs/dbraw/zinc/78/26/34/948782634.db2.gz TYOHZSJXRUVSEP-LLVKDONJSA-N -1 1 392.414 1.425 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001575224327 948782650 /nfs/dbraw/zinc/78/26/50/948782650.db2.gz TYOHZSJXRUVSEP-LLVKDONJSA-N -1 1 392.414 1.425 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)C1CCC(F)(F)CC1 ZINC001574679543 948783656 /nfs/dbraw/zinc/78/36/56/948783656.db2.gz XNMMCKPMZDHWRA-SNVBAGLBSA-N -1 1 380.403 1.789 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)C1CCC(F)(F)CC1 ZINC001574679543 948783671 /nfs/dbraw/zinc/78/36/71/948783671.db2.gz XNMMCKPMZDHWRA-SNVBAGLBSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001575224343 948783840 /nfs/dbraw/zinc/78/38/40/948783840.db2.gz UORNZLWGULIQGG-SNVBAGLBSA-N -1 1 378.387 1.177 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575224343 948783854 /nfs/dbraw/zinc/78/38/54/948783854.db2.gz UORNZLWGULIQGG-SNVBAGLBSA-N -1 1 378.387 1.177 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CCC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001575224351 948784608 /nfs/dbraw/zinc/78/46/08/948784608.db2.gz UUXUGXQTWXAQLS-WDEREUQCSA-N -1 1 392.414 1.931 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CCC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001575224351 948784617 /nfs/dbraw/zinc/78/46/17/948784617.db2.gz UUXUGXQTWXAQLS-WDEREUQCSA-N -1 1 392.414 1.931 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@@H]2[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]32)c1 ZINC001574419589 948785526 /nfs/dbraw/zinc/78/55/26/948785526.db2.gz FQODFKFMNVMTKU-QLPKVWCKSA-N -1 1 390.451 1.645 20 0 GDADMM C[C@H](C(=O)Nc1cc(O)cc(Br)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001573755971 948788668 /nfs/dbraw/zinc/78/86/68/948788668.db2.gz KKNGFJRYENFCKU-ZCFIWIBFSA-N -1 1 379.178 1.126 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001575224569 948789568 /nfs/dbraw/zinc/78/95/68/948789568.db2.gz PBTSMGOGSNXHIO-SNVBAGLBSA-N -1 1 378.387 1.177 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001575224569 948789586 /nfs/dbraw/zinc/78/95/86/948789586.db2.gz PBTSMGOGSNXHIO-SNVBAGLBSA-N -1 1 378.387 1.177 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)c1 ZINC001574419876 948791992 /nfs/dbraw/zinc/79/19/92/948791992.db2.gz KYPHMGGANSDUMF-HWWDLCQESA-N -1 1 390.451 1.645 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)c1 ZINC001574419876 948792006 /nfs/dbraw/zinc/79/20/06/948792006.db2.gz KYPHMGGANSDUMF-HWWDLCQESA-N -1 1 390.451 1.645 20 0 GDADMM CC(F)(F)CC(=O)N1C[C@@H]2C[C@H]1CN2c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575224672 948792948 /nfs/dbraw/zinc/79/29/48/948792948.db2.gz QAVPUQAGIOLUED-BQBZGAKWSA-N -1 1 389.819 1.811 20 0 GDADMM CC(C)c1cc(C(=O)N[C@@H](C)CCNc2cncc(-c3nnn[n-]3)n2)nn1C ZINC001574679917 948796511 /nfs/dbraw/zinc/79/65/11/948796511.db2.gz BPGVSZMPIDRDEH-NSHDSACASA-N -1 1 384.448 1.134 20 0 GDADMM CC(C)c1cc(C(=O)N[C@@H](C)CCNc2cncc(-c3nn[n-]n3)n2)nn1C ZINC001574679917 948796518 /nfs/dbraw/zinc/79/65/18/948796518.db2.gz BPGVSZMPIDRDEH-NSHDSACASA-N -1 1 384.448 1.134 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)COc1ccc(F)cc1 ZINC001574680273 948805647 /nfs/dbraw/zinc/80/56/47/948805647.db2.gz FRIYFUVBLADFKX-NSHDSACASA-N -1 1 386.391 1.182 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)COc1ccc(F)cc1 ZINC001574680273 948805666 /nfs/dbraw/zinc/80/56/66/948805666.db2.gz FRIYFUVBLADFKX-NSHDSACASA-N -1 1 386.391 1.182 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cc1cc(F)ccc1F ZINC001574680941 948815290 /nfs/dbraw/zinc/81/52/90/948815290.db2.gz KMVPAJKBLPKJIF-JTQLQIEISA-N -1 1 388.382 1.484 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cc1cc(F)ccc1F ZINC001574680941 948815305 /nfs/dbraw/zinc/81/53/05/948815305.db2.gz KMVPAJKBLPKJIF-JTQLQIEISA-N -1 1 388.382 1.484 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccc(C2CC2)cn1 ZINC001574680929 948815636 /nfs/dbraw/zinc/81/56/36/948815636.db2.gz KFJHKZAWDNDRMZ-LLVKDONJSA-N -1 1 379.428 1.550 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccc(C2CC2)cn1 ZINC001574680929 948815651 /nfs/dbraw/zinc/81/56/51/948815651.db2.gz KFJHKZAWDNDRMZ-LLVKDONJSA-N -1 1 379.428 1.550 20 0 GDADMM CC(F)(F)CC(=O)N1C[C@@H]2CCC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@H]2C1 ZINC001575226599 948821834 /nfs/dbraw/zinc/82/18/34/948821834.db2.gz NWRFFSXHRXTOQW-SRVKXCTJSA-N -1 1 392.414 1.741 20 0 GDADMM CC(F)(F)CC(=O)N1C[C@@H]2CCC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@H]2C1 ZINC001575226599 948821853 /nfs/dbraw/zinc/82/18/53/948821853.db2.gz NWRFFSXHRXTOQW-SRVKXCTJSA-N -1 1 392.414 1.741 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC001575227380 948827758 /nfs/dbraw/zinc/82/77/58/948827758.db2.gz VMVHMCSJWQFJIT-RYUDHWBXSA-N -1 1 378.387 1.272 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC001575227380 948827772 /nfs/dbraw/zinc/82/77/72/948827772.db2.gz VMVHMCSJWQFJIT-RYUDHWBXSA-N -1 1 378.387 1.272 20 0 GDADMM CC(F)(F)CC(=O)N1CC[C@H]2[C@@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575227771 948832866 /nfs/dbraw/zinc/83/28/66/948832866.db2.gz ZLTNABSCQIWXFZ-QWRGUYRKSA-N -1 1 378.387 1.129 20 0 GDADMM CC(C)[C@@H](F)C(=O)NC[C@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001574081602 948837867 /nfs/dbraw/zinc/83/78/67/948837867.db2.gz VEBUATPFHXMHMV-DDUZABMNSA-N -1 1 388.451 1.516 20 0 GDADMM CC(C)[C@@H](F)C(=O)NC[C@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001574081602 948837891 /nfs/dbraw/zinc/83/78/91/948837891.db2.gz VEBUATPFHXMHMV-DDUZABMNSA-N -1 1 388.451 1.516 20 0 GDADMM C[C@H](CNC(=O)CCCc1cccs1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574918340 948839925 /nfs/dbraw/zinc/83/99/25/948839925.db2.gz JHNLUXZVNURKMK-LBPRGKRZSA-N -1 1 386.485 1.905 20 0 GDADMM C[C@H](CNC(=O)CCCc1cccs1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574918340 948839946 /nfs/dbraw/zinc/83/99/46/948839946.db2.gz JHNLUXZVNURKMK-LBPRGKRZSA-N -1 1 386.485 1.905 20 0 GDADMM CC(C)c1nc(C(=O)N(C)CCN(C)c2ccnc(-c3nn[n-]n3)n2)cs1 ZINC001574424171 948843384 /nfs/dbraw/zinc/84/33/84/948843384.db2.gz HAEWLMDFWAPQJO-UHFFFAOYSA-N -1 1 387.473 1.445 20 0 GDADMM CC(F)(F)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001575229536 948849247 /nfs/dbraw/zinc/84/92/47/948849247.db2.gz MDBJHHOEUBRTEJ-ZSBIGDGJSA-N -1 1 392.414 1.566 20 0 GDADMM CC(F)(F)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001575229536 948849265 /nfs/dbraw/zinc/84/92/65/948849265.db2.gz MDBJHHOEUBRTEJ-ZSBIGDGJSA-N -1 1 392.414 1.566 20 0 GDADMM CC(C)(C(=O)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001573763104 948863260 /nfs/dbraw/zinc/86/32/60/948863260.db2.gz AXLDEJPGDRVDIZ-LSDHHAIUSA-N -1 1 382.472 1.663 20 0 GDADMM CC(C)(C(=O)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001573763104 948863277 /nfs/dbraw/zinc/86/32/77/948863277.db2.gz AXLDEJPGDRVDIZ-LSDHHAIUSA-N -1 1 382.472 1.663 20 0 GDADMM CC(F)(F)CC(=O)NC[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1 ZINC001575229991 948864258 /nfs/dbraw/zinc/86/42/58/948864258.db2.gz XZIFJOPMTBCPHH-SNVBAGLBSA-N -1 1 386.428 1.291 20 0 GDADMM CC(C)c1nc(C(=O)N(C)[C@@H](C)CNc2cnc(-c3nnn[n-]3)cn2)cs1 ZINC001574424769 948864706 /nfs/dbraw/zinc/86/47/06/948864706.db2.gz UVQDXBBPSLDZNT-JTQLQIEISA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)c1nc(C(=O)N(C)[C@@H](C)CNc2cnc(-c3nn[n-]n3)cn2)cs1 ZINC001574424769 948864725 /nfs/dbraw/zinc/86/47/25/948864725.db2.gz UVQDXBBPSLDZNT-JTQLQIEISA-N -1 1 387.473 1.809 20 0 GDADMM CC(F)(F)CC(=O)NCC1(C)CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001575231933 948867982 /nfs/dbraw/zinc/86/79/82/948867982.db2.gz BBLDEOLMRKPOCD-UHFFFAOYSA-N -1 1 380.403 1.425 20 0 GDADMM CC(F)(F)CC(=O)NCC1(C)CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001575231933 948868004 /nfs/dbraw/zinc/86/80/04/948868004.db2.gz BBLDEOLMRKPOCD-UHFFFAOYSA-N -1 1 380.403 1.425 20 0 GDADMM C[C@@H](CNC(=O)CCCc1ccsc1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574919196 948868824 /nfs/dbraw/zinc/86/88/24/948868824.db2.gz WGQVBXDAQISDHE-LBPRGKRZSA-N -1 1 386.485 1.682 20 0 GDADMM C[C@@H](CNC(=O)CCCc1ccsc1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574919196 948868853 /nfs/dbraw/zinc/86/88/53/948868853.db2.gz WGQVBXDAQISDHE-LBPRGKRZSA-N -1 1 386.485 1.682 20 0 GDADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)COCC1CC1 ZINC001574684804 948887519 /nfs/dbraw/zinc/88/75/19/948887519.db2.gz MXMFXYBGAFDUDY-MRVPVSSYSA-N -1 1 385.881 1.710 20 0 GDADMM CC(C)(C(=O)N1CC[C@H]2[C@@H](CCN2c2nccnc2-c2nnn[n-]2)C1)C(F)F ZINC001573765047 948896864 /nfs/dbraw/zinc/89/68/64/948896864.db2.gz UXJAJQGRPRNYRB-QWRGUYRKSA-N -1 1 392.414 1.375 20 0 GDADMM CC(C)(C(=O)N1CC[C@H]2[C@@H](CCN2c2nccnc2-c2nn[n-]n2)C1)C(F)F ZINC001573765047 948896887 /nfs/dbraw/zinc/89/68/87/948896887.db2.gz UXJAJQGRPRNYRB-QWRGUYRKSA-N -1 1 392.414 1.375 20 0 GDADMM CC(C)c1ncc(C(=O)NCC2(Nc3ccnc(-c4nn[n-]n4)n3)CC2)s1 ZINC001574427200 948898888 /nfs/dbraw/zinc/89/88/88/948898888.db2.gz BPLGWOIZQMFRLM-UHFFFAOYSA-N -1 1 385.457 1.033 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001575234349 948899130 /nfs/dbraw/zinc/89/91/30/948899130.db2.gz BCNWOPYIHDXEQS-VXGBXAGGSA-N -1 1 392.414 1.662 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)s1 ZINC001574427325 948902032 /nfs/dbraw/zinc/90/20/32/948902032.db2.gz CKRMTYSXNHKXHP-SNVBAGLBSA-N -1 1 385.457 1.245 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)s1 ZINC001574427325 948902045 /nfs/dbraw/zinc/90/20/45/948902045.db2.gz CKRMTYSXNHKXHP-SNVBAGLBSA-N -1 1 385.457 1.245 20 0 GDADMM C[C@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)c1ncccn1 ZINC001574685246 948904087 /nfs/dbraw/zinc/90/40/87/948904087.db2.gz UFBMGEBLALKXLY-SSDOTTSWSA-N -1 1 379.837 1.387 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)s1 ZINC001574427619 948905644 /nfs/dbraw/zinc/90/56/44/948905644.db2.gz JLFAEKVWCHCYEH-MGCOHNPYSA-N -1 1 385.457 1.610 20 0 GDADMM CC(C)c1ncc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)s1 ZINC001574427619 948905659 /nfs/dbraw/zinc/90/56/59/948905659.db2.gz JLFAEKVWCHCYEH-MGCOHNPYSA-N -1 1 385.457 1.610 20 0 GDADMM CC(C)[C@]1(C)C[C@@H]1C(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001574088004 948908120 /nfs/dbraw/zinc/90/81/20/948908120.db2.gz CRDZGXMZMMTECN-QJNYJZHLSA-N -1 1 382.472 1.234 20 0 GDADMM CC(C)[C@]1(C)C[C@@H]1C(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001574088004 948908133 /nfs/dbraw/zinc/90/81/33/948908133.db2.gz CRDZGXMZMMTECN-QJNYJZHLSA-N -1 1 382.472 1.234 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@H]2[C@@H](CCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575234848 948908602 /nfs/dbraw/zinc/90/86/02/948908602.db2.gz HLHFZPDIXTVXJC-RYUDHWBXSA-N -1 1 392.414 1.519 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)c1cn(C)cn1 ZINC001574685437 948912343 /nfs/dbraw/zinc/91/23/43/948912343.db2.gz WBVOSFUJBGJUMC-ZETCQYMHSA-N -1 1 381.853 1.331 20 0 GDADMM CC(C)c1ncc(C(=O)NCC[C@H](C)Nc2nccnc2-c2nnn[n-]2)s1 ZINC001574427697 948912423 /nfs/dbraw/zinc/91/24/23/948912423.db2.gz LFRICEVDEAGSAX-JTQLQIEISA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)c1ncc(C(=O)NCC[C@H](C)Nc2nccnc2-c2nn[n-]n2)s1 ZINC001574427697 948912434 /nfs/dbraw/zinc/91/24/34/948912434.db2.gz LFRICEVDEAGSAX-JTQLQIEISA-N -1 1 387.473 1.857 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)c1cn(C)cn1 ZINC001574685437 948912352 /nfs/dbraw/zinc/91/23/52/948912352.db2.gz WBVOSFUJBGJUMC-ZETCQYMHSA-N -1 1 381.853 1.331 20 0 GDADMM CC(C)(C(=O)N1CCO[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)C1CCC1 ZINC001573765544 948913748 /nfs/dbraw/zinc/91/37/48/948913748.db2.gz MZYOWLBJTJCPIZ-CYBMUJFWSA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)(C(=O)N1CCO[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573765544 948913756 /nfs/dbraw/zinc/91/37/56/948913756.db2.gz MZYOWLBJTJCPIZ-CYBMUJFWSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)c1cnsn1 ZINC001574685689 948916176 /nfs/dbraw/zinc/91/61/76/948916176.db2.gz ZFLSSULBOCZKNA-YFKPBYRVSA-N -1 1 385.866 1.449 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@@]2(C)C1)C1CC1 ZINC001573766048 948930288 /nfs/dbraw/zinc/93/02/88/948930288.db2.gz VQZAECSLKWOZNJ-YJYMSZOUSA-N -1 1 382.472 1.378 20 0 GDADMM CC(C)(C(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@@]2(C)C1)C1CC1 ZINC001573766048 948930296 /nfs/dbraw/zinc/93/02/96/948930296.db2.gz VQZAECSLKWOZNJ-YJYMSZOUSA-N -1 1 382.472 1.378 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)NC1CC2(C1)CC(Nc1cncc(-c3nnn[n-]3)n1)C2 ZINC001574088700 948931686 /nfs/dbraw/zinc/93/16/86/948931686.db2.gz DCCZPWIKCDTOBC-MAWWUMEMSA-N -1 1 382.472 1.788 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)NC1CC2(C1)CC(Nc1cncc(-c3nn[n-]n3)n1)C2 ZINC001574088700 948931694 /nfs/dbraw/zinc/93/16/94/948931694.db2.gz DCCZPWIKCDTOBC-MAWWUMEMSA-N -1 1 382.472 1.788 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001573771041 948932333 /nfs/dbraw/zinc/93/23/33/948932333.db2.gz AGFUQIDZWYPSHY-GXTWGEPZSA-N -1 1 384.488 1.602 20 0 GDADMM CC(C)[C@@H]1C[C@H](C(=O)N(C)CCN(C)c2nccnc2-c2nnn[n-]2)CCO1 ZINC001574088774 948935549 /nfs/dbraw/zinc/93/55/49/948935549.db2.gz CKWMIULWIMSFRD-KGLIPLIRSA-N -1 1 388.476 1.003 20 0 GDADMM CC(C)[C@@H]1C[C@H](C(=O)N(C)CCN(C)c2nccnc2-c2nn[n-]n2)CCO1 ZINC001574088774 948935556 /nfs/dbraw/zinc/93/55/56/948935556.db2.gz CKWMIULWIMSFRD-KGLIPLIRSA-N -1 1 388.476 1.003 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C12CCC2)C1CC1 ZINC001573771515 948941586 /nfs/dbraw/zinc/94/15/86/948941586.db2.gz JHSWLXBIXHZLPM-STQMWFEESA-N -1 1 382.472 1.932 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C12CCC2)C1CC1 ZINC001573771515 948941598 /nfs/dbraw/zinc/94/15/98/948941598.db2.gz JHSWLXBIXHZLPM-STQMWFEESA-N -1 1 382.472 1.932 20 0 GDADMM CC(C)(C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1nccnc1-c1nnn[n-]1)C2)C(F)F ZINC001573771898 948950503 /nfs/dbraw/zinc/95/05/03/948950503.db2.gz NWGJDDSLVIIPSR-AXFHLTTASA-N -1 1 392.414 1.422 20 0 GDADMM CC(C)(C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1nccnc1-c1nn[n-]n1)C2)C(F)F ZINC001573771898 948950521 /nfs/dbraw/zinc/95/05/21/948950521.db2.gz NWGJDDSLVIIPSR-AXFHLTTASA-N -1 1 392.414 1.422 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N(C)[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574433423 948956563 /nfs/dbraw/zinc/95/65/63/948956563.db2.gz MTDYJQQJKJVHBC-NSHDSACASA-N -1 1 384.448 1.086 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N(C)[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574433423 948956571 /nfs/dbraw/zinc/95/65/71/948956571.db2.gz MTDYJQQJKJVHBC-NSHDSACASA-N -1 1 384.448 1.086 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1 ZINC001575239573 948964184 /nfs/dbraw/zinc/96/41/84/948964184.db2.gz UQISGNJPEMDNSY-MXWKQRLJSA-N -1 1 378.387 1.318 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)NC1(CNc2cnc(-c3nnn[n-]3)cn2)CCOCC1 ZINC001574090032 948976396 /nfs/dbraw/zinc/97/63/96/948976396.db2.gz HKLVIRVIYWTPNI-CHWSQXEVSA-N -1 1 386.460 1.026 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)NC1(CNc2cnc(-c3nn[n-]n3)cn2)CCOCC1 ZINC001574090032 948976404 /nfs/dbraw/zinc/97/64/04/948976404.db2.gz HKLVIRVIYWTPNI-CHWSQXEVSA-N -1 1 386.460 1.026 20 0 GDADMM CC(C)(C(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)c1ccccc1 ZINC001573773316 948979936 /nfs/dbraw/zinc/97/99/36/948979936.db2.gz KKJKHWRXZYKPIS-UHFFFAOYSA-N -1 1 392.467 1.720 20 0 GDADMM CC(C)(C(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)c1ccccc1 ZINC001573773316 948979946 /nfs/dbraw/zinc/97/99/46/948979946.db2.gz KKJKHWRXZYKPIS-UHFFFAOYSA-N -1 1 392.467 1.720 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@H]1CCC(F)(F)C1 ZINC001574690477 949002715 /nfs/dbraw/zinc/00/27/15/949002715.db2.gz PEMXCFWSBMHMOV-GHMZBOCLSA-N -1 1 380.403 1.789 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@H]1CCC(F)(F)C1 ZINC001574690477 949002730 /nfs/dbraw/zinc/00/27/30/949002730.db2.gz PEMXCFWSBMHMOV-GHMZBOCLSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1 ZINC001575244001 949004847 /nfs/dbraw/zinc/00/48/47/949004847.db2.gz UQISGNJPEMDNSY-VWYCJHECSA-N -1 1 378.387 1.318 20 0 GDADMM CC(C)(C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCC1)C(F)(F)F ZINC001573774692 949021376 /nfs/dbraw/zinc/02/13/76/949021376.db2.gz QFFCZMWJGLOSCP-UHFFFAOYSA-N -1 1 384.366 1.696 20 0 GDADMM CC(C)(C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCC1)C(F)(F)F ZINC001573774692 949021398 /nfs/dbraw/zinc/02/13/98/949021398.db2.gz QFFCZMWJGLOSCP-UHFFFAOYSA-N -1 1 384.366 1.696 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@H]1CCC(C)(C)CO1 ZINC001574691297 949023910 /nfs/dbraw/zinc/02/39/10/949023910.db2.gz WHTQROIGICULJE-CHWSQXEVSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@H]1CCC(C)(C)CO1 ZINC001574691297 949023937 /nfs/dbraw/zinc/02/39/37/949023937.db2.gz WHTQROIGICULJE-CHWSQXEVSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@@H](CN(C)C(=O)C(C)(C)[C@@H]1CCCCO1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574692717 949035281 /nfs/dbraw/zinc/03/52/81/949035281.db2.gz AXVAPPFFTBFNNF-JSGCOSHPSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CN(C)C(=O)C(C)(C)[C@@H]1CCCCO1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574692717 949035305 /nfs/dbraw/zinc/03/53/05/949035305.db2.gz AXVAPPFFTBFNNF-JSGCOSHPSA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001573779021 949052427 /nfs/dbraw/zinc/05/24/27/949052427.db2.gz CNQZKCIICSYPAF-SECBINFHSA-N -1 1 384.366 1.188 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573779021 949052456 /nfs/dbraw/zinc/05/24/56/949052456.db2.gz CNQZKCIICSYPAF-SECBINFHSA-N -1 1 384.366 1.188 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001573779650 949065767 /nfs/dbraw/zinc/06/57/67/949065767.db2.gz LGLDQZSTIXBKGZ-OAHLLOKOSA-N -1 1 392.467 1.720 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001573779650 949065785 /nfs/dbraw/zinc/06/57/85/949065785.db2.gz LGLDQZSTIXBKGZ-OAHLLOKOSA-N -1 1 392.467 1.720 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)c1cnn(C)c1 ZINC001574694487 949079113 /nfs/dbraw/zinc/07/91/13/949079113.db2.gz PVTGAOLGAQAQLJ-ZETCQYMHSA-N -1 1 381.853 1.331 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)c1cnn(C)c1 ZINC001574694487 949079133 /nfs/dbraw/zinc/07/91/33/949079133.db2.gz PVTGAOLGAQAQLJ-ZETCQYMHSA-N -1 1 381.853 1.331 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H](C)NC(=O)C1(C(F)(F)F)CCC1 ZINC001575249016 949083492 /nfs/dbraw/zinc/08/34/92/949083492.db2.gz ALPXWNVIYNKYKV-BDAKNGLRSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H](C)NC(=O)C1(C(F)(F)F)CCC1 ZINC001575249016 949083473 /nfs/dbraw/zinc/08/34/73/949083473.db2.gz ALPXWNVIYNKYKV-BDAKNGLRSA-N -1 1 384.366 1.694 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCCN1c1nccnc1-c1nnn[n-]1)C1CCC1 ZINC001573780440 949095730 /nfs/dbraw/zinc/09/57/30/949095730.db2.gz ZLURMGSJQSNLDF-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCCN1c1nccnc1-c1nn[n-]n1)C1CCC1 ZINC001573780440 949095750 /nfs/dbraw/zinc/09/57/50/949095750.db2.gz ZLURMGSJQSNLDF-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1)C1CCC1 ZINC001573780430 949095861 /nfs/dbraw/zinc/09/58/61/949095861.db2.gz ZAJGUKZTITWADZ-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1snnc1C1CC1 ZINC001574695168 949104196 /nfs/dbraw/zinc/10/41/96/949104196.db2.gz DEUIPXYPKZIOGZ-MRVPVSSYSA-N -1 1 386.445 1.006 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1snnc1C1CC1 ZINC001574695168 949104202 /nfs/dbraw/zinc/10/42/02/949104202.db2.gz DEUIPXYPKZIOGZ-MRVPVSSYSA-N -1 1 386.445 1.006 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001574443420 949108246 /nfs/dbraw/zinc/10/82/46/949108246.db2.gz XYPXDBFILKBMHT-LBPRGKRZSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1nocc1C(=O)NC[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001574443420 949108260 /nfs/dbraw/zinc/10/82/60/949108260.db2.gz XYPXDBFILKBMHT-LBPRGKRZSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)(C(=O)NCCC1CCN(c2nccnc2-c2nnn[n-]2)CC1)C1CC1 ZINC001573782033 949117084 /nfs/dbraw/zinc/11/70/84/949117084.db2.gz OZLPSQLVDXDWPF-UHFFFAOYSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)(C(=O)NCCC1CCN(c2nccnc2-c2nn[n-]n2)CC1)C1CC1 ZINC001573782033 949117091 /nfs/dbraw/zinc/11/70/91/949117091.db2.gz OZLPSQLVDXDWPF-UHFFFAOYSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)CC(F)(F)F)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575250910 949119268 /nfs/dbraw/zinc/11/92/68/949119268.db2.gz IOHDBYMBQFMICV-DTWKUNHWSA-N -1 1 386.382 1.940 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)CC(F)(F)F)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575250910 949119255 /nfs/dbraw/zinc/11/92/55/949119255.db2.gz IOHDBYMBQFMICV-DTWKUNHWSA-N -1 1 386.382 1.940 20 0 GDADMM CC(C)c1occc1C(=O)NCCN(c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001574446067 949121170 /nfs/dbraw/zinc/12/11/70/949121170.db2.gz HJMFQVIRGPFCNE-UHFFFAOYSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1occc1C(=O)NCCN(c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001574446067 949121180 /nfs/dbraw/zinc/12/11/80/949121180.db2.gz HJMFQVIRGPFCNE-UHFFFAOYSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)N1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001574093920 949123228 /nfs/dbraw/zinc/12/32/28/949123228.db2.gz TVSGFWKTVWUXJF-UWVGGRQHSA-N -1 1 381.893 1.917 20 0 GDADMM CC(C)c1occc1C(=O)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001574446217 949124258 /nfs/dbraw/zinc/12/42/58/949124258.db2.gz KDKUAQAMLMSRRL-UHFFFAOYSA-N -1 1 382.428 1.726 20 0 GDADMM CC(C)c1occc1C(=O)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001574446217 949124267 /nfs/dbraw/zinc/12/42/67/949124267.db2.gz KDKUAQAMLMSRRL-UHFFFAOYSA-N -1 1 382.428 1.726 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1coc(C(F)F)c1 ZINC001574696266 949128661 /nfs/dbraw/zinc/12/86/61/949128661.db2.gz OXTDTAYNNWBYSY-MRVPVSSYSA-N -1 1 378.343 1.808 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1coc(C(F)F)c1 ZINC001574696266 949128685 /nfs/dbraw/zinc/12/86/85/949128685.db2.gz OXTDTAYNNWBYSY-MRVPVSSYSA-N -1 1 378.343 1.808 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574446563 949133155 /nfs/dbraw/zinc/13/31/55/949133155.db2.gz QXKZLTIBCYBEIL-LLVKDONJSA-N -1 1 383.416 1.342 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574446563 949133178 /nfs/dbraw/zinc/13/31/78/949133178.db2.gz QXKZLTIBCYBEIL-LLVKDONJSA-N -1 1 383.416 1.342 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)Cc1cc(C2CC2)no1 ZINC001574696670 949139041 /nfs/dbraw/zinc/13/90/41/949139041.db2.gz UDWUTTQMEHKVFB-JTQLQIEISA-N -1 1 383.416 1.072 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)Cc1cc(C2CC2)no1 ZINC001574696670 949139051 /nfs/dbraw/zinc/13/90/51/949139051.db2.gz UDWUTTQMEHKVFB-JTQLQIEISA-N -1 1 383.416 1.072 20 0 GDADMM CC(C)c1ocnc1C(=O)N1C[C@H](Nc2nccnc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001574446802 949142417 /nfs/dbraw/zinc/14/24/17/949142417.db2.gz WTTCEXSRLSKZAY-QWRGUYRKSA-N -1 1 383.416 1.341 20 0 GDADMM CC(C)c1ocnc1C(=O)N1C[C@H](Nc2nccnc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001574446802 949142432 /nfs/dbraw/zinc/14/24/32/949142432.db2.gz WTTCEXSRLSKZAY-QWRGUYRKSA-N -1 1 383.416 1.341 20 0 GDADMM CC(C)[C@H]1C[C@H](C(=O)N(C)CCN(C)c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC001574094877 949144412 /nfs/dbraw/zinc/14/44/12/949144412.db2.gz WTGHWTMKIYIFQS-UKRRQHHQSA-N -1 1 388.476 1.003 20 0 GDADMM CC(C)[C@H]1C[C@H](C(=O)N(C)CCN(C)c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC001574094877 949144423 /nfs/dbraw/zinc/14/44/23/949144423.db2.gz WTGHWTMKIYIFQS-UKRRQHHQSA-N -1 1 388.476 1.003 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)N1CCC(CN(C)c2nccnc2-c2nnn[n-]2)CC1 ZINC001574095788 949152029 /nfs/dbraw/zinc/15/20/29/949152029.db2.gz YZYGHYKVJQAUAE-HUUCEWRRSA-N -1 1 384.488 1.624 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)N1CCC(CN(C)c2nccnc2-c2nn[n-]n2)CC1 ZINC001574095788 949152042 /nfs/dbraw/zinc/15/20/42/949152042.db2.gz YZYGHYKVJQAUAE-HUUCEWRRSA-N -1 1 384.488 1.624 20 0 GDADMM CC(C)c1ocnc1C(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574447581 949164566 /nfs/dbraw/zinc/16/45/66/949164566.db2.gz SSECOJBSCITGEX-UHFFFAOYSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1ocnc1C(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574447581 949164587 /nfs/dbraw/zinc/16/45/87/949164587.db2.gz SSECOJBSCITGEX-UHFFFAOYSA-N -1 1 383.416 1.167 20 0 GDADMM C[C@@H](NC(=O)C1(C(F)F)CCCC1)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575252602 949166805 /nfs/dbraw/zinc/16/68/05/949166805.db2.gz QJGMKQZTZJVRKX-VHSXEESVSA-N -1 1 380.403 1.209 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)C(F)F ZINC001573787267 949172899 /nfs/dbraw/zinc/17/28/99/949172899.db2.gz QSDVRUTWCSIOHA-YWVKMMECSA-N -1 1 378.387 1.174 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)C(F)F ZINC001573787267 949172910 /nfs/dbraw/zinc/17/29/10/949172910.db2.gz QSDVRUTWCSIOHA-YWVKMMECSA-N -1 1 378.387 1.174 20 0 GDADMM CC(C)c1oncc1C(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574448827 949192744 /nfs/dbraw/zinc/19/27/44/949192744.db2.gz MXVWMHPYZJCIGA-NSHDSACASA-N -1 1 383.416 1.342 20 0 GDADMM CC(C)c1oncc1C(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574448827 949192757 /nfs/dbraw/zinc/19/27/57/949192757.db2.gz MXVWMHPYZJCIGA-NSHDSACASA-N -1 1 383.416 1.342 20 0 GDADMM C[C@@H](NC(=O)C1(c2ccccc2)CC1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575253608 949194791 /nfs/dbraw/zinc/19/47/91/949194791.db2.gz KZDVGFKZNUGHDJ-QWHCGFSZSA-N -1 1 378.440 1.694 20 0 GDADMM C[C@@H](NC(=O)C1(c2ccccc2)CC1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575253608 949194804 /nfs/dbraw/zinc/19/48/04/949194804.db2.gz KZDVGFKZNUGHDJ-QWHCGFSZSA-N -1 1 378.440 1.694 20 0 GDADMM CC(C)c1oncc1C(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)[C@@H](C)C1 ZINC001574449892 949200095 /nfs/dbraw/zinc/20/00/95/949200095.db2.gz UVLGIRGXJNCOPU-GWCFXTLKSA-N -1 1 383.416 1.341 20 0 GDADMM CC(C)c1oncc1C(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)[C@@H](C)C1 ZINC001574449892 949200107 /nfs/dbraw/zinc/20/01/07/949200107.db2.gz UVLGIRGXJNCOPU-GWCFXTLKSA-N -1 1 383.416 1.341 20 0 GDADMM C[C@@H](CNC(=O)C[C@@H]1C[C@H]1Cc1ccccc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574935684 949202911 /nfs/dbraw/zinc/20/29/11/949202911.db2.gz FFIBTJPKFITNFK-IMJJTQAJSA-N -1 1 392.467 1.842 20 0 GDADMM C[C@@H](CNC(=O)C[C@@H]1C[C@H]1Cc1ccccc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574935684 949202934 /nfs/dbraw/zinc/20/29/34/949202934.db2.gz FFIBTJPKFITNFK-IMJJTQAJSA-N -1 1 392.467 1.842 20 0 GDADMM CC(C)CC(=O)N1CCC(NC(=O)NCc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001574103066 949223980 /nfs/dbraw/zinc/22/39/80/949223980.db2.gz JKZSWVSCZHVZBO-UHFFFAOYSA-N -1 1 391.501 1.765 20 0 GDADMM CC1(Nc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)CCc2ccco2)CC1 ZINC001575854003 949225577 /nfs/dbraw/zinc/22/55/77/949225577.db2.gz YEHCYXALLKFQQD-UHFFFAOYSA-N -1 1 382.428 1.676 20 0 GDADMM CC1(Nc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)CCc2ccco2)CC1 ZINC001575854003 949225594 /nfs/dbraw/zinc/22/55/94/949225594.db2.gz YEHCYXALLKFQQD-UHFFFAOYSA-N -1 1 382.428 1.676 20 0 GDADMM CC1(Nc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)[C@@H]2C[C@H]2C2CCC2)CC1 ZINC001575854038 949226143 /nfs/dbraw/zinc/22/61/43/949226143.db2.gz YVAMENZXEVTONE-UONOGXRCSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(Nc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)[C@@H]2C[C@H]2C2CCC2)CC1 ZINC001575854038 949226157 /nfs/dbraw/zinc/22/61/57/949226157.db2.gz YVAMENZXEVTONE-UONOGXRCSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@H]1CCC[C@@]1(C)C(=O)NCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576151557 949226526 /nfs/dbraw/zinc/22/65/26/949226526.db2.gz GOKYCQJVEQZDBT-ORAYPTAESA-N -1 1 384.488 1.816 20 0 GDADMM CC1(Nc2ccc(-c3nnn[n-]3)nn2)CCN(C(=O)[C@H]2C[C@@H]2C(F)F)CC1 ZINC001575854377 949231208 /nfs/dbraw/zinc/23/12/08/949231208.db2.gz TUNWSOALYMPUEX-UWVGGRQHSA-N -1 1 378.387 1.351 20 0 GDADMM CC1(Nc2ccc(-c3nn[n-]n3)nn2)CCN(C(=O)[C@H]2C[C@@H]2C(F)F)CC1 ZINC001575854377 949231229 /nfs/dbraw/zinc/23/12/29/949231229.db2.gz TUNWSOALYMPUEX-UWVGGRQHSA-N -1 1 378.387 1.351 20 0 GDADMM CC(C)c1scnc1C(=O)NC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574451411 949233960 /nfs/dbraw/zinc/23/39/60/949233960.db2.gz PIGGHUGPXHEJFS-SNVBAGLBSA-N -1 1 387.473 1.491 20 0 GDADMM CC(C)c1scnc1C(=O)NC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574451411 949233988 /nfs/dbraw/zinc/23/39/88/949233988.db2.gz PIGGHUGPXHEJFS-SNVBAGLBSA-N -1 1 387.473 1.491 20 0 GDADMM C[C@@H](CNC(=O)Cc1cc(F)ccc1F)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574938110 949235176 /nfs/dbraw/zinc/23/51/76/949235176.db2.gz SCRPTIDUGLOFFG-SNVBAGLBSA-N -1 1 388.382 1.342 20 0 GDADMM C[C@@H](CNC(=O)Cc1cc(F)ccc1F)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574938110 949235195 /nfs/dbraw/zinc/23/51/95/949235195.db2.gz SCRPTIDUGLOFFG-SNVBAGLBSA-N -1 1 388.382 1.342 20 0 GDADMM CC(C)(C)C(=O)N1CCC[C@@H]([C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001573792175 949237539 /nfs/dbraw/zinc/23/75/39/949237539.db2.gz MFVQVLUOFZMAKD-KGLIPLIRSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)(C)C(=O)N1CCC[C@@H]([C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001573792175 949237560 /nfs/dbraw/zinc/23/75/60/949237560.db2.gz MFVQVLUOFZMAKD-KGLIPLIRSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(Cl)s1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574938465 949245757 /nfs/dbraw/zinc/24/57/57/949245757.db2.gz WMYXTOXGXRTSHD-QMMMGPOBSA-N -1 1 378.849 1.531 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(Cl)s1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574938465 949245774 /nfs/dbraw/zinc/24/57/74/949245774.db2.gz WMYXTOXGXRTSHD-QMMMGPOBSA-N -1 1 378.849 1.531 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574452008 949251493 /nfs/dbraw/zinc/25/14/93/949251493.db2.gz DYDRPHTXFYMGTH-MGCOHNPYSA-N -1 1 385.457 1.610 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574452008 949251513 /nfs/dbraw/zinc/25/15/13/949251513.db2.gz DYDRPHTXFYMGTH-MGCOHNPYSA-N -1 1 385.457 1.610 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(C2CC2)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574940445 949264104 /nfs/dbraw/zinc/26/41/04/949264104.db2.gz FYXUKJAVJGXVRU-LBPRGKRZSA-N -1 1 378.440 1.115 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574452832 949266870 /nfs/dbraw/zinc/26/68/70/949266870.db2.gz NRFBJIPRHQEMGX-MGCOHNPYSA-N -1 1 385.457 1.031 20 0 GDADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)C2(C(F)F)CCC2)CC1 ZINC001575857486 949271127 /nfs/dbraw/zinc/27/11/27/949271127.db2.gz RXGKEETWWUNNRV-UHFFFAOYSA-N -1 1 392.414 1.885 20 0 GDADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)C2(C(F)F)CCC2)CC1 ZINC001575857486 949271149 /nfs/dbraw/zinc/27/11/49/949271149.db2.gz RXGKEETWWUNNRV-UHFFFAOYSA-N -1 1 392.414 1.885 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(F)c1F)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574940656 949274626 /nfs/dbraw/zinc/27/46/26/949274626.db2.gz IFOAWAPSRJMDGR-JTQLQIEISA-N -1 1 388.382 1.119 20 0 GDADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)CC[C@H]2CCOC2)CC1 ZINC001575857904 949280490 /nfs/dbraw/zinc/28/04/90/949280490.db2.gz XPJXNLANDSHBLO-ZDUSSCGKSA-N -1 1 386.460 1.266 20 0 GDADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)CC[C@H]2CCOC2)CC1 ZINC001575857904 949280509 /nfs/dbraw/zinc/28/05/09/949280509.db2.gz XPJXNLANDSHBLO-ZDUSSCGKSA-N -1 1 386.460 1.266 20 0 GDADMM C[C@H](CNC(=O)Cc1ccc[nH]1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574940894 949284399 /nfs/dbraw/zinc/28/43/99/949284399.db2.gz LXCIRBFDRWLGPO-MRVPVSSYSA-N -1 1 380.865 1.712 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(Cl)c1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574941443 949304636 /nfs/dbraw/zinc/30/46/36/949304636.db2.gz QPWYFLKKBYFUQR-LLVKDONJSA-N -1 1 386.847 1.494 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(Cl)c1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574941443 949304661 /nfs/dbraw/zinc/30/46/61/949304661.db2.gz QPWYFLKKBYFUQR-LLVKDONJSA-N -1 1 386.847 1.494 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@]1(C)CCc2ccccc21)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574703105 949308894 /nfs/dbraw/zinc/30/88/94/949308894.db2.gz QUYBLYNOMGYFLY-XCLFUZPHSA-N -1 1 392.467 1.820 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@]1(C)CCc2ccccc21)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574703105 949308914 /nfs/dbraw/zinc/30/89/14/949308914.db2.gz QUYBLYNOMGYFLY-XCLFUZPHSA-N -1 1 392.467 1.820 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccccc1Cl)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574941752 949318297 /nfs/dbraw/zinc/31/82/97/949318297.db2.gz SCFLJTMWQVDODZ-NSHDSACASA-N -1 1 386.847 1.494 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccccc1Cl)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574941752 949318318 /nfs/dbraw/zinc/31/83/18/949318318.db2.gz SCFLJTMWQVDODZ-NSHDSACASA-N -1 1 386.847 1.494 20 0 GDADMM C[C@H](NC(=O)C1CC(F)(F)C1)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575258924 949319925 /nfs/dbraw/zinc/31/99/25/949319925.db2.gz LZJWIDUDXMEBQT-QWRGUYRKSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@H](NC(=O)C1CC(F)(F)C1)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575258924 949319942 /nfs/dbraw/zinc/31/99/42/949319942.db2.gz LZJWIDUDXMEBQT-QWRGUYRKSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@H](CNC(=O)Cc1cccnc1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001574941833 949322183 /nfs/dbraw/zinc/32/21/83/949322183.db2.gz TXQOGTCSABIFOL-SECBINFHSA-N -1 1 392.876 1.555 20 0 GDADMM C[C@H](CNC(=O)Cc1cccnc1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001574941833 949322202 /nfs/dbraw/zinc/32/22/02/949322202.db2.gz TXQOGTCSABIFOL-SECBINFHSA-N -1 1 392.876 1.555 20 0 GDADMM C[C@@H](NC(=O)C1=COCCC1)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575259208 949322422 /nfs/dbraw/zinc/32/24/22/949322422.db2.gz NUNRILAPDIXWIB-CHWSQXEVSA-N -1 1 384.444 1.072 20 0 GDADMM C[C@@H](NC(=O)C1=COCCC1)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575259208 949322449 /nfs/dbraw/zinc/32/24/49/949322449.db2.gz NUNRILAPDIXWIB-CHWSQXEVSA-N -1 1 384.444 1.072 20 0 GDADMM CC(C)n1ccc(C(=O)N(C)CCCN(C)c2cncc(-c3nnn[n-]3)n2)n1 ZINC001574457379 949325443 /nfs/dbraw/zinc/32/54/43/949325443.db2.gz JUYAQBIZRVKOGJ-UHFFFAOYSA-N -1 1 384.448 1.033 20 0 GDADMM CC(C)n1ccc(C(=O)N(C)CCCN(C)c2cncc(-c3nn[n-]n3)n2)n1 ZINC001574457379 949325463 /nfs/dbraw/zinc/32/54/63/949325463.db2.gz JUYAQBIZRVKOGJ-UHFFFAOYSA-N -1 1 384.448 1.033 20 0 GDADMM CC(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573796047 949331151 /nfs/dbraw/zinc/33/11/51/949331151.db2.gz QTKSGPVGDJMLEK-PSASIEDQSA-N -1 1 384.366 1.504 20 0 GDADMM CC(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573796047 949331173 /nfs/dbraw/zinc/33/11/73/949331173.db2.gz QTKSGPVGDJMLEK-PSASIEDQSA-N -1 1 384.366 1.504 20 0 GDADMM CC1=C(C)C[C@H](C(=O)NC2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)CC1 ZINC001575862147 949341167 /nfs/dbraw/zinc/34/11/67/949341167.db2.gz YANGVIPYKSAUQQ-CQSZACIVSA-N -1 1 382.472 1.878 20 0 GDADMM CC1=C(C)C[C@H](C(=O)NC2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)CC1 ZINC001575862147 949341189 /nfs/dbraw/zinc/34/11/89/949341189.db2.gz YANGVIPYKSAUQQ-CQSZACIVSA-N -1 1 382.472 1.878 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc2c(c1)CCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574942298 949350458 /nfs/dbraw/zinc/35/04/58/949350458.db2.gz XYRBNMJLOIYHBT-LBPRGKRZSA-N -1 1 378.440 1.305 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc2c(c1)CCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574942298 949350479 /nfs/dbraw/zinc/35/04/79/949350479.db2.gz XYRBNMJLOIYHBT-LBPRGKRZSA-N -1 1 378.440 1.305 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccoc1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574942480 949359149 /nfs/dbraw/zinc/35/91/49/949359149.db2.gz PJECNHMRFLWJJD-QMMMGPOBSA-N -1 1 381.849 1.977 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccoc1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574942480 949359172 /nfs/dbraw/zinc/35/91/72/949359172.db2.gz PJECNHMRFLWJJD-QMMMGPOBSA-N -1 1 381.849 1.977 20 0 GDADMM CC(C)n1cccc1C(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574459532 949360290 /nfs/dbraw/zinc/36/02/90/949360290.db2.gz IZPNDCDCWOHSFD-UHFFFAOYSA-N -1 1 383.460 1.638 20 0 GDADMM CC(C)n1cccc1C(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574459532 949360312 /nfs/dbraw/zinc/36/03/12/949360312.db2.gz IZPNDCDCWOHSFD-UHFFFAOYSA-N -1 1 383.460 1.638 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H](C)NC(=O)C1Cc2ccccc2C1 ZINC001575262880 949381993 /nfs/dbraw/zinc/38/19/93/949381993.db2.gz CVDCDKSCCZEZLU-NEPJUHHUSA-N -1 1 378.440 1.377 20 0 GDADMM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H](C)NC(=O)C1Cc2ccccc2C1 ZINC001575262880 949382012 /nfs/dbraw/zinc/38/20/12/949382012.db2.gz CVDCDKSCCZEZLU-NEPJUHHUSA-N -1 1 378.440 1.377 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001574463874 949387917 /nfs/dbraw/zinc/38/79/17/949387917.db2.gz DYIDSOKWFJFDQI-ZDUSSCGKSA-N -1 1 381.444 1.660 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001574463874 949387938 /nfs/dbraw/zinc/38/79/38/949387938.db2.gz DYIDSOKWFJFDQI-ZDUSSCGKSA-N -1 1 381.444 1.660 20 0 GDADMM CC(C)(C)C(=O)NC[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)CCO1 ZINC001573801830 949403705 /nfs/dbraw/zinc/40/37/05/949403705.db2.gz ACJMTDQKPKOPHL-MRVPVSSYSA-N -1 1 385.881 1.344 20 0 GDADMM CC(C)(C)C(=O)NC[C@@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)CCO1 ZINC001573801830 949403721 /nfs/dbraw/zinc/40/37/21/949403721.db2.gz ACJMTDQKPKOPHL-MRVPVSSYSA-N -1 1 385.881 1.344 20 0 GDADMM CC(C)(C)C(=O)NC[C@H]1Cc2ccccc2CN1c1ccnc(-c2nn[n-]n2)n1 ZINC001573801826 949404190 /nfs/dbraw/zinc/40/41/90/949404190.db2.gz ABPAWAGXTGVWNS-OAHLLOKOSA-N -1 1 392.467 1.750 20 0 GDADMM C[C@@H](NC(=O)C1CCCCC1)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575264337 949426665 /nfs/dbraw/zinc/42/66/65/949426665.db2.gz NSPVSJAEOUATBA-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](NC(=O)C1CCCCC1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575264337 949426678 /nfs/dbraw/zinc/42/66/78/949426678.db2.gz NSPVSJAEOUATBA-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2(C)CC(F)(F)C2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575866987 949430658 /nfs/dbraw/zinc/43/06/58/949430658.db2.gz ITSSUEJRHJOCNP-MNOVXSKESA-N -1 1 392.414 1.566 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C2(C)CC(F)(F)C2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575866987 949430668 /nfs/dbraw/zinc/43/06/68/949430668.db2.gz ITSSUEJRHJOCNP-MNOVXSKESA-N -1 1 392.414 1.566 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C(C)(C)C2CCC2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575867426 949437200 /nfs/dbraw/zinc/43/72/00/949437200.db2.gz JTBIFHYGMVSSHB-OCCSQVGLSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C(C)(C)C2CCC2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575867426 949437213 /nfs/dbraw/zinc/43/72/13/949437213.db2.gz JTBIFHYGMVSSHB-OCCSQVGLSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1CCCCC1(F)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574705828 949438509 /nfs/dbraw/zinc/43/85/09/949438509.db2.gz JPKOZEIGAKSVAX-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1CCCCC1(F)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574705828 949438518 /nfs/dbraw/zinc/43/85/18/949438518.db2.gz JPKOZEIGAKSVAX-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1CCCCC1(F)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574705826 949440113 /nfs/dbraw/zinc/44/01/13/949440113.db2.gz JPKOZEIGAKSVAX-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1CCCCC1(F)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574705826 949440124 /nfs/dbraw/zinc/44/01/24/949440124.db2.gz JPKOZEIGAKSVAX-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)n1cccc1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1 ZINC001574465678 949443414 /nfs/dbraw/zinc/44/34/14/949443414.db2.gz VPJOESPHKZHEKQ-STQMWFEESA-N -1 1 379.428 1.142 20 0 GDADMM C[C@@H](NC(=O)C1CCOCC1)[C@@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575265541 949447782 /nfs/dbraw/zinc/44/77/82/949447782.db2.gz UNWOHRAXQMOSEU-HTQZYQBOSA-N -1 1 385.881 1.708 20 0 GDADMM C[C@@H](NC(=O)CC(C)(C)CC(F)F)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575265293 949447808 /nfs/dbraw/zinc/44/78/08/949447808.db2.gz TXTMSKAOBFBOOV-VHSXEESVSA-N -1 1 382.419 1.455 20 0 GDADMM CC(C)n1ncc(C(=O)N[C@H](C)CNc2ccc(-c3nnn[n-]3)nn2)c1Cl ZINC001574468545 949463098 /nfs/dbraw/zinc/46/30/98/949463098.db2.gz PIDXUXAYCNMRGF-SECBINFHSA-N -1 1 390.839 1.318 20 0 GDADMM CC(C)n1ncc(C(=O)N[C@H](C)CNc2ccc(-c3nn[n-]n3)nn2)c1Cl ZINC001574468545 949463123 /nfs/dbraw/zinc/46/31/23/949463123.db2.gz PIDXUXAYCNMRGF-SECBINFHSA-N -1 1 390.839 1.318 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C(C)(C)C(F)F)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575871068 949504204 /nfs/dbraw/zinc/50/42/04/949504204.db2.gz YKMLUWGRJKNMDY-UWVGGRQHSA-N -1 1 380.403 1.422 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C(C)(C)C(F)F)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575871068 949504230 /nfs/dbraw/zinc/50/42/30/949504230.db2.gz YKMLUWGRJKNMDY-UWVGGRQHSA-N -1 1 380.403 1.422 20 0 GDADMM C[C@@H](Cc1ccccc1)C(=O)NC[C@H](C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574949740 949510843 /nfs/dbraw/zinc/51/08/43/949510843.db2.gz CCXSHBGYHIMAHF-KBPBESRZSA-N -1 1 380.456 1.476 20 0 GDADMM C[C@@H](Cc1ccccc1)C(=O)NC[C@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574949740 949510863 /nfs/dbraw/zinc/51/08/63/949510863.db2.gz CCXSHBGYHIMAHF-KBPBESRZSA-N -1 1 380.456 1.476 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cocn1 ZINC001576159046 949510817 /nfs/dbraw/zinc/51/08/17/949510817.db2.gz WATOJQFDXVJXHF-PIGZYNQJSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cocn1 ZINC001576159046 949510828 /nfs/dbraw/zinc/51/08/28/949510828.db2.gz WATOJQFDXVJXHF-PIGZYNQJSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@@H]1CCC[C@H]1CC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001576159036 949512254 /nfs/dbraw/zinc/51/22/54/949512254.db2.gz VYTIKYFPDDQAOZ-KGLIPLIRSA-N -1 1 384.488 1.746 20 0 GDADMM C[C@H](CNC(=O)[C@@H](C)Cc1ccccc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574949897 949519570 /nfs/dbraw/zinc/51/95/70/949519570.db2.gz GODWAALCJWQVGF-UONOGXRCSA-N -1 1 380.456 1.476 20 0 GDADMM C[C@H](CNC(=O)[C@@H](C)Cc1ccccc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574949897 949519589 /nfs/dbraw/zinc/51/95/89/949519589.db2.gz GODWAALCJWQVGF-UONOGXRCSA-N -1 1 380.456 1.476 20 0 GDADMM CC(C)CC(=O)NCc1ccc(CCNc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001574122996 949529610 /nfs/dbraw/zinc/52/96/10/949529610.db2.gz AEJMOLUJCOXVKG-UHFFFAOYSA-N -1 1 380.456 1.974 20 0 GDADMM CC(C)CC(=O)NCc1ccc(CCNc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001574122996 949529619 /nfs/dbraw/zinc/52/96/19/949529619.db2.gz AEJMOLUJCOXVKG-UHFFFAOYSA-N -1 1 380.456 1.974 20 0 GDADMM C[C@H]1CCCC[C@H]1OCC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576163435 949537081 /nfs/dbraw/zinc/53/70/81/949537081.db2.gz BEVPWBVTDSKCEN-GXTWGEPZSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H]1CCCC[C@H]1OCC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576163435 949537093 /nfs/dbraw/zinc/53/70/93/949537093.db2.gz BEVPWBVTDSKCEN-GXTWGEPZSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](CC(=O)N(C)C1CC(Nc2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001574471917 949542028 /nfs/dbraw/zinc/54/20/28/949542028.db2.gz PSPQCMSCYJQMHR-IDKOKCKLSA-N -1 1 384.366 1.647 20 0 GDADMM C[C@@H](CC(=O)N(C)C1CC(Nc2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574471917 949542042 /nfs/dbraw/zinc/54/20/42/949542042.db2.gz PSPQCMSCYJQMHR-IDKOKCKLSA-N -1 1 384.366 1.647 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CCC(C)(F)F)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575872663 949554521 /nfs/dbraw/zinc/55/45/21/949554521.db2.gz KRYQTAXIQGNNHV-QWRGUYRKSA-N -1 1 380.403 1.566 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CCC(C)(F)F)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575872663 949554534 /nfs/dbraw/zinc/55/45/34/949554534.db2.gz KRYQTAXIQGNNHV-QWRGUYRKSA-N -1 1 380.403 1.566 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C=Cc2ccco2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575872873 949561211 /nfs/dbraw/zinc/56/12/11/949561211.db2.gz LUPDWOUOFQISLE-GOCPQTJRSA-N -1 1 380.412 1.437 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C=Cc2ccco2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575872873 949561229 /nfs/dbraw/zinc/56/12/29/949561229.db2.gz LUPDWOUOFQISLE-GOCPQTJRSA-N -1 1 380.412 1.437 20 0 GDADMM C[C@H]1CCCN(C(=O)C2CC(C)(C)C2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576164905 949561278 /nfs/dbraw/zinc/56/12/78/949561278.db2.gz IFZXBNNOXXFRDN-GXTWGEPZSA-N -1 1 384.488 1.554 20 0 GDADMM CC1(C(=O)N2CCC[C@@]3(CCN(c4nccnc4-c4nnn[n-]4)C3)C2)CCC1 ZINC001575544229 949583327 /nfs/dbraw/zinc/58/33/27/949583327.db2.gz BTGZWKNBSYYWJZ-IBGZPJMESA-N -1 1 382.472 1.666 20 0 GDADMM CC1(C(=O)N2CCC[C@@]3(CCN(c4nccnc4-c4nn[n-]n4)C3)C2)CCC1 ZINC001575544229 949583342 /nfs/dbraw/zinc/58/33/42/949583342.db2.gz BTGZWKNBSYYWJZ-IBGZPJMESA-N -1 1 382.472 1.666 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2C=CC=CC=C2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575873744 949585627 /nfs/dbraw/zinc/58/56/27/949585627.db2.gz PXXOGKXNTQHCRY-ZFWWWQNUSA-N -1 1 378.440 1.429 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2C=CC=CC=C2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575873744 949585636 /nfs/dbraw/zinc/58/56/36/949585636.db2.gz PXXOGKXNTQHCRY-ZFWWWQNUSA-N -1 1 378.440 1.429 20 0 GDADMM CC(C)CC(C)(C)C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001574126919 949607140 /nfs/dbraw/zinc/60/71/40/949607140.db2.gz AXTLTMCQOUGVBM-OKILXGFUSA-N -1 1 384.488 1.624 20 0 GDADMM CC1(C(=O)N2CCCC[C@@H]2[C@@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575546443 949608792 /nfs/dbraw/zinc/60/87/92/949608792.db2.gz QGHPZNYSTDQYEH-UONOGXRCSA-N -1 1 382.472 1.807 20 0 GDADMM C[C@H]1CCCN(C(=O)C2CC(F)(F)C2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576168082 949627040 /nfs/dbraw/zinc/62/70/40/949627040.db2.gz SRFXGPLDPQJXIH-CMPLNLGQSA-N -1 1 392.414 1.163 20 0 GDADMM C[C@H](CC(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1)c1cccc(F)c1 ZINC001574476999 949634154 /nfs/dbraw/zinc/63/41/54/949634154.db2.gz JHOPFEWRZCLBGA-GFCCVEGCSA-N -1 1 384.419 1.860 20 0 GDADMM C[C@H](CC(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1)c1cccc(F)c1 ZINC001574476999 949634168 /nfs/dbraw/zinc/63/41/68/949634168.db2.gz JHOPFEWRZCLBGA-GFCCVEGCSA-N -1 1 384.419 1.860 20 0 GDADMM C[C@@]1(C(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CCc2ccccc21 ZINC001575547662 949634502 /nfs/dbraw/zinc/63/45/02/949634502.db2.gz BKKYLOUIGXLEDI-JLTOFOAXSA-N -1 1 390.451 1.574 20 0 GDADMM C[C@@]1(C(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CCc2ccccc21 ZINC001575547662 949634514 /nfs/dbraw/zinc/63/45/14/949634514.db2.gz BKKYLOUIGXLEDI-JLTOFOAXSA-N -1 1 390.451 1.574 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)NC[C@H](C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574957961 949642798 /nfs/dbraw/zinc/64/27/98/949642798.db2.gz KBHGPULCLCDLPY-KGLIPLIRSA-N -1 1 380.456 1.476 20 0 GDADMM C[C@H](Cc1ccccc1)C(=O)NC[C@H](C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574957961 949642812 /nfs/dbraw/zinc/64/28/12/949642812.db2.gz KBHGPULCLCDLPY-KGLIPLIRSA-N -1 1 380.456 1.476 20 0 GDADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CC12CCCC2 ZINC001573815218 949647117 /nfs/dbraw/zinc/64/71/17/949647117.db2.gz GWCFMQVHRBPROF-STQMWFEESA-N -1 1 384.488 1.602 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574958039 949647993 /nfs/dbraw/zinc/64/79/93/949647993.db2.gz DHVZXLKPZBHOFR-DDTOSNHZSA-N -1 1 382.403 1.516 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574958039 949648010 /nfs/dbraw/zinc/64/80/10/949648010.db2.gz DHVZXLKPZBHOFR-DDTOSNHZSA-N -1 1 382.403 1.516 20 0 GDADMM C[C@H]1CCCN(C(=O)CC(C)(C)O)[C@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001576168864 949652206 /nfs/dbraw/zinc/65/22/06/949652206.db2.gz WHUKUBSKRHOTTA-JSGCOSHPSA-N -1 1 388.476 1.247 20 0 GDADMM C[C@H]1CCCN(C(=O)CC(C)(C)O)[C@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001576168864 949652217 /nfs/dbraw/zinc/65/22/17/949652217.db2.gz WHUKUBSKRHOTTA-JSGCOSHPSA-N -1 1 388.476 1.247 20 0 GDADMM C[C@@H]1CCCC[C@H]1C(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001576168908 949653063 /nfs/dbraw/zinc/65/30/63/949653063.db2.gz HBZVYKSYFMYRTB-APIJFGDWSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H]1CCCC[C@H]1C(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001576168908 949653074 /nfs/dbraw/zinc/65/30/74/949653074.db2.gz HBZVYKSYFMYRTB-APIJFGDWSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2=CCOCC2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576168896 949654228 /nfs/dbraw/zinc/65/42/28/949654228.db2.gz WLKWSQKHBQHRDS-TZMCWYRMSA-N -1 1 384.444 1.042 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2=CCOCC2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576168896 949654237 /nfs/dbraw/zinc/65/42/37/949654237.db2.gz WLKWSQKHBQHRDS-TZMCWYRMSA-N -1 1 384.444 1.042 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)COC1CCCC1 ZINC001573815799 949657373 /nfs/dbraw/zinc/65/73/73/949657373.db2.gz KCLNXSRGIFKGRW-CQSZACIVSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)COC1CCCC1 ZINC001573815799 949657393 /nfs/dbraw/zinc/65/73/93/949657393.db2.gz KCLNXSRGIFKGRW-CQSZACIVSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)Cc1cncs1 ZINC001573815895 949660270 /nfs/dbraw/zinc/66/02/70/949660270.db2.gz LSTJHZKZRDEPBM-LBPRGKRZSA-N -1 1 387.473 1.299 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)Cc1cncs1 ZINC001573815895 949660285 /nfs/dbraw/zinc/66/02/85/949660285.db2.gz LSTJHZKZRDEPBM-LBPRGKRZSA-N -1 1 387.473 1.299 20 0 GDADMM CCC[C@H]1CN(C(=O)NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)CCN1CCOC ZINC001589639469 949660504 /nfs/dbraw/zinc/66/05/04/949660504.db2.gz YCHBYXMXWJCJCP-ZEVUXNIQSA-N -1 1 397.516 1.541 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CC(C)(C)C2CC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575877279 949662570 /nfs/dbraw/zinc/66/25/70/949662570.db2.gz ZGHARGQDGBVQAX-JSGCOSHPSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CC(C)(C)C2CC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575877279 949662585 /nfs/dbraw/zinc/66/25/85/949662585.db2.gz ZGHARGQDGBVQAX-JSGCOSHPSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H]1CCCN(C(=O)CC2(O)CCC2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576169393 949674927 /nfs/dbraw/zinc/67/49/27/949674927.db2.gz XRBRBDDZZNBJAZ-STQMWFEESA-N -1 1 386.460 1.001 20 0 GDADMM C[C@H]1CCCN(C(=O)CC2(O)CCC2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576169393 949674938 /nfs/dbraw/zinc/67/49/38/949674938.db2.gz XRBRBDDZZNBJAZ-STQMWFEESA-N -1 1 386.460 1.001 20 0 GDADMM C[C@@H]1CCCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576169387 949676118 /nfs/dbraw/zinc/67/61/18/949676118.db2.gz HEOIPESCJJGTDP-NJURLYQPSA-N -1 1 382.472 1.742 20 0 GDADMM C[C@@H]1CCCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576169387 949676132 /nfs/dbraw/zinc/67/61/32/949676132.db2.gz HEOIPESCJJGTDP-NJURLYQPSA-N -1 1 382.472 1.742 20 0 GDADMM C[C@H]1CCCN(C(=O)CC2(O)CCC2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576169389 949676862 /nfs/dbraw/zinc/67/68/62/949676862.db2.gz XRBRBDDZZNBJAZ-QWHCGFSZSA-N -1 1 386.460 1.001 20 0 GDADMM C[C@H]1CCCN(C(=O)CC2(O)CCC2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576169389 949676873 /nfs/dbraw/zinc/67/68/73/949676873.db2.gz XRBRBDDZZNBJAZ-QWHCGFSZSA-N -1 1 386.460 1.001 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574958650 949685255 /nfs/dbraw/zinc/68/52/55/949685255.db2.gz LZBNONIMTVSPLM-IAMHBRQHSA-N -1 1 392.467 1.799 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574958650 949685269 /nfs/dbraw/zinc/68/52/69/949685269.db2.gz LZBNONIMTVSPLM-IAMHBRQHSA-N -1 1 392.467 1.799 20 0 GDADMM CC(C)CC(C)(C)C(=O)NC[C@@H]1COCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001574132266 949687889 /nfs/dbraw/zinc/68/78/89/949687889.db2.gz UOVYUTDNXXTZMD-CYBMUJFWSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)CC(C)(C)C(=O)NC[C@@H]1COCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001574132266 949687901 /nfs/dbraw/zinc/68/79/01/949687901.db2.gz UOVYUTDNXXTZMD-CYBMUJFWSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)CC(C)(C)C(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001574132412 949692415 /nfs/dbraw/zinc/69/24/15/949692415.db2.gz ZCMUJXJLIAJSCR-ZIAGYGMSSA-N -1 1 386.504 1.918 20 0 GDADMM CC(C)CC(C)(C)C(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001574132412 949692425 /nfs/dbraw/zinc/69/24/25/949692425.db2.gz ZCMUJXJLIAJSCR-ZIAGYGMSSA-N -1 1 386.504 1.918 20 0 GDADMM C[C@@H](CNC(=O)[C@]12C[C@H]1COC2)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574959077 949704258 /nfs/dbraw/zinc/70/42/58/949704258.db2.gz YHNNVXVZJUDSCO-FZVNPBSJSA-N -1 1 383.865 1.177 20 0 GDADMM C[C@@H](CNC(=O)[C@]12C[C@H]1COC2)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574959077 949704276 /nfs/dbraw/zinc/70/42/76/949704276.db2.gz YHNNVXVZJUDSCO-FZVNPBSJSA-N -1 1 383.865 1.177 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccccc1 ZINC001574478416 949706354 /nfs/dbraw/zinc/70/63/54/949706354.db2.gz ZCFNYYYBUHQFNL-GOEBONIOSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccccc1 ZINC001574478416 949706376 /nfs/dbraw/zinc/70/63/76/949706376.db2.gz ZCFNYYYBUHQFNL-GOEBONIOSA-N -1 1 392.467 1.888 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C1(C)CCOCC1 ZINC001575557269 949714887 /nfs/dbraw/zinc/71/48/87/949714887.db2.gz FUQTWJPCGKDZTI-ZDUSSCGKSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C1(C)CCOCC1 ZINC001575557269 949714906 /nfs/dbraw/zinc/71/49/06/949714906.db2.gz FUQTWJPCGKDZTI-ZDUSSCGKSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@@H]1CCCC1(F)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574716947 949717901 /nfs/dbraw/zinc/71/79/01/949717901.db2.gz SBVMDJDYNFIZGK-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@@H]1CCCC1(F)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574716947 949717916 /nfs/dbraw/zinc/71/79/16/949717916.db2.gz SBVMDJDYNFIZGK-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cc1cscn1 ZINC001573818148 949721212 /nfs/dbraw/zinc/72/12/12/949721212.db2.gz HCBQTYBDEFUFEK-LBPRGKRZSA-N -1 1 387.473 1.299 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cc1cscn1 ZINC001573818148 949721233 /nfs/dbraw/zinc/72/12/33/949721233.db2.gz HCBQTYBDEFUFEK-LBPRGKRZSA-N -1 1 387.473 1.299 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[C@H]1CCCOC1 ZINC001573818527 949735212 /nfs/dbraw/zinc/73/52/12/949735212.db2.gz NCNMAVWTZGWZRP-OCCSQVGLSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[C@H]1CCCOC1 ZINC001573818527 949735228 /nfs/dbraw/zinc/73/52/28/949735228.db2.gz NCNMAVWTZGWZRP-OCCSQVGLSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001574480434 949746776 /nfs/dbraw/zinc/74/67/76/949746776.db2.gz IJXTWKPMDOMMRK-ZJUUUORDSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001574480434 949746792 /nfs/dbraw/zinc/74/67/92/949746792.db2.gz IJXTWKPMDOMMRK-ZJUUUORDSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001574480236 949749176 /nfs/dbraw/zinc/74/91/76/949749176.db2.gz HTROEBRRCBBAEP-STQMWFEESA-N -1 1 382.428 1.481 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001574480236 949749193 /nfs/dbraw/zinc/74/91/93/949749193.db2.gz HTROEBRRCBBAEP-STQMWFEESA-N -1 1 382.428 1.481 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574480437 949749799 /nfs/dbraw/zinc/74/97/99/949749799.db2.gz IJXTZFABPPTHMD-HOCLYGCPSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001574480841 949755933 /nfs/dbraw/zinc/75/59/33/949755933.db2.gz KJDHMJCKCIVCMB-ZJUUUORDSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001574480841 949755943 /nfs/dbraw/zinc/75/59/43/949755943.db2.gz KJDHMJCKCIVCMB-ZJUUUORDSA-N -1 1 384.366 1.282 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N1CC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001574137491 949757837 /nfs/dbraw/zinc/75/78/37/949757837.db2.gz UQYFJFRFAXQTBV-IJEWVQPXSA-N -1 1 384.488 1.766 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N1CC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001574137491 949757851 /nfs/dbraw/zinc/75/78/51/949757851.db2.gz UQYFJFRFAXQTBV-IJEWVQPXSA-N -1 1 384.488 1.766 20 0 GDADMM O=C([O-])c1cnc(C(=O)N2CCCN(Cc3ccccc3)CCOCC2)cn1 ZINC001595267598 949769958 /nfs/dbraw/zinc/76/99/58/949769958.db2.gz PSHQIXBZRZFMQH-UHFFFAOYSA-N -1 1 384.436 1.540 20 0 GDADMM C[C@H](CC(=O)N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1)[C@H]1CCCO1 ZINC001574481535 949781594 /nfs/dbraw/zinc/78/15/94/949781594.db2.gz RCRLWRXTFMRJSH-IUODEOHRSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H](CC(=O)N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1)[C@H]1CCCO1 ZINC001574481535 949781613 /nfs/dbraw/zinc/78/16/13/949781613.db2.gz RCRLWRXTFMRJSH-IUODEOHRSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H](NC(=O)Cc1c(F)cccc1F)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575280827 949789392 /nfs/dbraw/zinc/78/93/92/949789392.db2.gz AHOGFIWLSLHPSS-NXEZZACHSA-N -1 1 388.382 1.483 20 0 GDADMM C[C@@H](NC(=O)Cc1c(F)cccc1F)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575280827 949789405 /nfs/dbraw/zinc/78/94/05/949789405.db2.gz AHOGFIWLSLHPSS-NXEZZACHSA-N -1 1 388.382 1.483 20 0 GDADMM C[C@@H](CNC(=O)c1c(F)cccc1Cl)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574965229 949796128 /nfs/dbraw/zinc/79/61/28/949796128.db2.gz DLMKDRFKZXOVMC-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1c(F)cccc1Cl)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574965229 949796144 /nfs/dbraw/zinc/79/61/44/949796144.db2.gz DLMKDRFKZXOVMC-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CN(C)C(=O)CCCc1ccccc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574720537 949796183 /nfs/dbraw/zinc/79/61/83/949796183.db2.gz CAZLLLYNBDYYBL-CQSZACIVSA-N -1 1 380.456 1.938 20 0 GDADMM C[C@H](CN(C)C(=O)CCCc1ccccc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574720537 949796200 /nfs/dbraw/zinc/79/62/00/949796200.db2.gz CAZLLLYNBDYYBL-CQSZACIVSA-N -1 1 380.456 1.938 20 0 GDADMM CC(C)(C)[C@@H](NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)[nH]c1=O)c1ccccc1 ZINC001573822625 949796488 /nfs/dbraw/zinc/79/64/88/949796488.db2.gz KZYMKTSRMDXPIA-AWEZNQCLSA-N -1 1 383.412 1.033 20 0 GDADMM C[C@H](CNC(=O)c1c(F)cccc1Cl)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574965228 949796567 /nfs/dbraw/zinc/79/65/67/949796567.db2.gz DLMKDRFKZXOVMC-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1c(F)cccc1Cl)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574965228 949796586 /nfs/dbraw/zinc/79/65/86/949796586.db2.gz DLMKDRFKZXOVMC-SECBINFHSA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1 ZINC001574481858 949801623 /nfs/dbraw/zinc/80/16/23/949801623.db2.gz WKRPKXCPSUXNSJ-GDBMZVCRSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1 ZINC001574481858 949801633 /nfs/dbraw/zinc/80/16/33/949801633.db2.gz WKRPKXCPSUXNSJ-GDBMZVCRSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001574481810 949802808 /nfs/dbraw/zinc/80/28/08/949802808.db2.gz VTXFHQNXTCWDRK-VHSXEESVSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001574481810 949802832 /nfs/dbraw/zinc/80/28/32/949802832.db2.gz VTXFHQNXTCWDRK-VHSXEESVSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H](CNC(=O)c1c(F)cc(F)cc1F)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574965680 949808661 /nfs/dbraw/zinc/80/86/61/949808661.db2.gz JHABMCXEEVKLKX-MRVPVSSYSA-N -1 1 392.345 1.552 20 0 GDADMM C[C@@H](CNC(=O)c1c(F)cc(F)cc1F)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574965680 949808680 /nfs/dbraw/zinc/80/86/80/949808680.db2.gz JHABMCXEEVKLKX-MRVPVSSYSA-N -1 1 392.345 1.552 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001574481979 949815696 /nfs/dbraw/zinc/81/56/96/949815696.db2.gz YHQWQJGAWRPTIA-ZJUUUORDSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574481979 949815715 /nfs/dbraw/zinc/81/57/15/949815715.db2.gz YHQWQJGAWRPTIA-ZJUUUORDSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@H](CNC(=O)c1c(F)cccc1Cl)CNc1nccnc1-c1nnn[n-]1 ZINC001574965849 949823434 /nfs/dbraw/zinc/82/34/34/949823434.db2.gz NKNDUFADEOSXNA-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@H](CNC(=O)c1c(F)cccc1Cl)CNc1nccnc1-c1nn[n-]n1 ZINC001574965849 949823449 /nfs/dbraw/zinc/82/34/49/949823449.db2.gz NKNDUFADEOSXNA-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CC1CCOCC1 ZINC001573823279 949825882 /nfs/dbraw/zinc/82/58/82/949825882.db2.gz TVWNVYBCNJXPOU-CYBMUJFWSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CC1CCOCC1 ZINC001573823279 949825906 /nfs/dbraw/zinc/82/59/06/949825906.db2.gz TVWNVYBCNJXPOU-CYBMUJFWSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001574484030 949854692 /nfs/dbraw/zinc/85/46/92/949854692.db2.gz CRSSORYFKNJZTF-UWVGGRQHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001574484030 949854709 /nfs/dbraw/zinc/85/47/09/949854709.db2.gz CRSSORYFKNJZTF-UWVGGRQHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1)c1ccco1 ZINC001574483982 949855514 /nfs/dbraw/zinc/85/55/14/949855514.db2.gz BJQLVGGDIFVQFH-OLZOCXBDSA-N -1 1 382.428 1.846 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1)c1ccco1 ZINC001574483982 949855539 /nfs/dbraw/zinc/85/55/39/949855539.db2.gz BJQLVGGDIFVQFH-OLZOCXBDSA-N -1 1 382.428 1.846 20 0 GDADMM CC(C)(C)C1CC(C(=O)N2CCCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001573825021 949863824 /nfs/dbraw/zinc/86/38/24/949863824.db2.gz KJQDJWMKQZZYIS-UHFFFAOYSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)(C)C1CC(C(=O)N2CCCN(c3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001573825021 949863836 /nfs/dbraw/zinc/86/38/36/949863836.db2.gz KJQDJWMKQZZYIS-UHFFFAOYSA-N -1 1 384.488 1.768 20 0 GDADMM CC1(C(=O)N[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)CC(F)(F)C1 ZINC001575564794 949872986 /nfs/dbraw/zinc/87/29/86/949872986.db2.gz SNUXWYXKSCJEDZ-JTQLQIEISA-N -1 1 378.387 1.177 20 0 GDADMM CC1(C(=O)N[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)CC(F)(F)C1 ZINC001575564794 949873014 /nfs/dbraw/zinc/87/30/14/949873014.db2.gz SNUXWYXKSCJEDZ-JTQLQIEISA-N -1 1 378.387 1.177 20 0 GDADMM CC1(C(=O)N[C@H]2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)CC(F)(F)C1 ZINC001575565713 949886514 /nfs/dbraw/zinc/88/65/14/949886514.db2.gz XQFPBPQIGIXFFG-MNOVXSKESA-N -1 1 392.414 1.789 20 0 GDADMM CC1(C(=O)N[C@H]2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)CC(F)(F)C1 ZINC001575565713 949886535 /nfs/dbraw/zinc/88/65/35/949886535.db2.gz XQFPBPQIGIXFFG-MNOVXSKESA-N -1 1 392.414 1.789 20 0 GDADMM C[C@H](CC(=O)N1CCCC[C@@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001574484882 949910553 /nfs/dbraw/zinc/91/05/53/949910553.db2.gz QODVVLRXTWIDNJ-UKRRQHHQSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](CC(=O)N1CCCC[C@@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001574484882 949910571 /nfs/dbraw/zinc/91/05/71/949910571.db2.gz QODVVLRXTWIDNJ-UKRRQHHQSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)(C)/C=C/C(=O)N1CCCC[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001573827191 949915537 /nfs/dbraw/zinc/91/55/37/949915537.db2.gz KRFFQENIPMJDSP-RNVIBTMRSA-N -1 1 384.488 1.864 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574146077 949939930 /nfs/dbraw/zinc/93/99/30/949939930.db2.gz WZIPSQIYMUSXFG-KBPBESRZSA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574146077 949939951 /nfs/dbraw/zinc/93/99/51/949939951.db2.gz WZIPSQIYMUSXFG-KBPBESRZSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CC(=O)N[C@@]1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574488836 949951788 /nfs/dbraw/zinc/95/17/88/949951788.db2.gz GQIHJNFJJGLSHO-OTYXRUKQSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2cc(Cl)no2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575890419 949953884 /nfs/dbraw/zinc/95/38/84/949953884.db2.gz XNZZUCDBWROURQ-BDAKNGLRSA-N -1 1 389.807 1.085 20 0 GDADMM CC(C)(C)CC(=O)N1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001573830018 949972797 /nfs/dbraw/zinc/97/27/97/949972797.db2.gz HQAYJLOKGYKMMF-UHFFFAOYSA-N -1 1 391.501 1.718 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccn(C)c2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576180852 949975847 /nfs/dbraw/zinc/97/58/47/949975847.db2.gz JVLFXNULQIQMQA-IUODEOHRSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccn(C)c2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576180852 949975860 /nfs/dbraw/zinc/97/58/60/949975860.db2.gz JVLFXNULQIQMQA-IUODEOHRSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2ccc(Cl)o2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575891284 949995166 /nfs/dbraw/zinc/99/51/66/949995166.db2.gz HIWKFDVXPHZDED-NXEZZACHSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccoc2)[C@@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576181311 949996355 /nfs/dbraw/zinc/99/63/55/949996355.db2.gz LPLAUKQGPMRCIJ-SWLSCSKDSA-N -1 1 382.428 1.993 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccoc2)[C@@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001576181311 949996374 /nfs/dbraw/zinc/99/63/74/949996374.db2.gz LPLAUKQGPMRCIJ-SWLSCSKDSA-N -1 1 382.428 1.993 20 0 GDADMM C[C@@H](CC(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@@]2(C)C1)C1CC1 ZINC001574490453 949997423 /nfs/dbraw/zinc/99/74/23/949997423.db2.gz RZWLGXKHHWMEAL-CFZJUORYSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H](CC(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@]2(C)C1)C1CC1 ZINC001574490453 949997445 /nfs/dbraw/zinc/99/74/45/949997445.db2.gz RZWLGXKHHWMEAL-CFZJUORYSA-N -1 1 382.472 1.378 20 0 GDADMM CC(C)(C)CC(=O)N[C@@H]1CC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001573833646 950007046 /nfs/dbraw/zinc/00/70/46/950007046.db2.gz BAGXZONGQVRDGM-BFHYXJOUSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)CC(=O)N[C@@H]1CC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001573833646 950007065 /nfs/dbraw/zinc/00/70/65/950007065.db2.gz BAGXZONGQVRDGM-BFHYXJOUSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](CC(=O)N[C@@]1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccco1 ZINC001574490629 950008236 /nfs/dbraw/zinc/00/82/36/950008236.db2.gz WIHALHAGRYMERV-SGTLLEGYSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](CC(=O)N[C@@]1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccco1 ZINC001574490629 950008252 /nfs/dbraw/zinc/00/82/52/950008252.db2.gz WIHALHAGRYMERV-SGTLLEGYSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001574490704 950011227 /nfs/dbraw/zinc/01/12/27/950011227.db2.gz XNBYKTRIIBQFRY-VNHYZAJKSA-N -1 1 381.444 1.368 20 0 GDADMM C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574490704 950011245 /nfs/dbraw/zinc/01/12/45/950011245.db2.gz XNBYKTRIIBQFRY-VNHYZAJKSA-N -1 1 381.444 1.368 20 0 GDADMM C[C@H]1CCN(C(=O)CCC(F)F)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576182043 950033567 /nfs/dbraw/zinc/03/35/67/950033567.db2.gz KQOIOYVWKHNIBM-WDEREUQCSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H]1CCN(C(=O)CCC(F)F)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576182043 950033585 /nfs/dbraw/zinc/03/35/85/950033585.db2.gz KQOIOYVWKHNIBM-WDEREUQCSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H](C)Cc1ccccc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574731438 950050159 /nfs/dbraw/zinc/05/01/59/950050159.db2.gz DQUFAUBTIRBFIM-UONOGXRCSA-N -1 1 380.456 1.794 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H](C)Cc1ccccc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574731438 950050177 /nfs/dbraw/zinc/05/01/77/950050177.db2.gz DQUFAUBTIRBFIM-UONOGXRCSA-N -1 1 380.456 1.794 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574492140 950063462 /nfs/dbraw/zinc/06/34/62/950063462.db2.gz JQVLPSPYEBSRGT-CHWSQXEVSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](CC(=O)NC1CC(CNc2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001574492667 950099371 /nfs/dbraw/zinc/09/93/71/950099371.db2.gz OGZMIMSJJQZHNO-HSBZDZAISA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](CC(=O)NC1CC(CNc2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574492667 950099388 /nfs/dbraw/zinc/09/93/88/950099388.db2.gz OGZMIMSJJQZHNO-HSBZDZAISA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)c1ccccc1 ZINC001574492975 950111375 /nfs/dbraw/zinc/11/13/75/950111375.db2.gz PYVZLITUJFIBMA-ZBFHGGJFSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)c1ccccc1 ZINC001574492975 950111386 /nfs/dbraw/zinc/11/13/86/950111386.db2.gz PYVZLITUJFIBMA-ZBFHGGJFSA-N -1 1 392.467 1.936 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccoc2)[C@@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576184025 950112947 /nfs/dbraw/zinc/11/29/47/950112947.db2.gz VEPFGTOFSZXTCZ-SWLSCSKDSA-N -1 1 382.428 1.993 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccoc2)[C@@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576184025 950112972 /nfs/dbraw/zinc/11/29/72/950112972.db2.gz VEPFGTOFSZXTCZ-SWLSCSKDSA-N -1 1 382.428 1.993 20 0 GDADMM CC(C)(C)CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1 ZINC001573838714 950116493 /nfs/dbraw/zinc/11/64/93/950116493.db2.gz HKDPWSNMAZJSJU-STQMWFEESA-N -1 1 384.488 1.909 20 0 GDADMM C[C@@]1(C(=O)NCC2(Nc3cnc(-c4nnn[n-]4)cn3)CC2)CCc2ccccc21 ZINC001575582618 950119048 /nfs/dbraw/zinc/11/90/48/950119048.db2.gz LLYDZWLGFJOLOP-LJQANCHMSA-N -1 1 390.451 1.622 20 0 GDADMM C[C@@]1(C(=O)NCC2(Nc3cnc(-c4nn[n-]n4)cn3)CC2)CCc2ccccc21 ZINC001575582618 950119061 /nfs/dbraw/zinc/11/90/61/950119061.db2.gz LLYDZWLGFJOLOP-LJQANCHMSA-N -1 1 390.451 1.622 20 0 GDADMM C[C@@]1(C(=O)NC[C@@H]2CCCCCN2c2cnc(-c3nnn[n-]3)cn2)C=CCC1 ZINC001575582808 950128419 /nfs/dbraw/zinc/12/84/19/950128419.db2.gz GYBTWKQJOLQXKL-IFXJQAMLSA-N -1 1 382.472 1.878 20 0 GDADMM C[C@@]1(C(=O)NC[C@@H]2CCCCCN2c2cnc(-c3nn[n-]n3)cn2)C=CCC1 ZINC001575582808 950128431 /nfs/dbraw/zinc/12/84/31/950128431.db2.gz GYBTWKQJOLQXKL-IFXJQAMLSA-N -1 1 382.472 1.878 20 0 GDADMM C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(C)CCC(=O)[O-] ZINC000262642336 950145626 /nfs/dbraw/zinc/14/56/26/950145626.db2.gz JEYJZJLGOAMKLP-AWEZNQCLSA-N -1 1 397.497 1.595 20 0 GDADMM C[C@]1(C(=O)NC[C@@H]2CCCCN2c2nccnc2-c2nnn[n-]2)CC=CCC1 ZINC001575584775 950176949 /nfs/dbraw/zinc/17/69/49/950176949.db2.gz SDKBCJKAARJGLA-LIRRHRJNSA-N -1 1 382.472 1.878 20 0 GDADMM C[C@]1(C(=O)NC[C@@H]2CCCCN2c2nccnc2-c2nn[n-]n2)CC=CCC1 ZINC001575584775 950176961 /nfs/dbraw/zinc/17/69/61/950176961.db2.gz SDKBCJKAARJGLA-LIRRHRJNSA-N -1 1 382.472 1.878 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccsn2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576191127 950187600 /nfs/dbraw/zinc/18/76/00/950187600.db2.gz DPLVZQFLDAAVTN-QWRGUYRKSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccsn2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576191127 950187615 /nfs/dbraw/zinc/18/76/15/950187615.db2.gz DPLVZQFLDAAVTN-QWRGUYRKSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H]1CCN(C(=O)c2cccs2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576191329 950194501 /nfs/dbraw/zinc/19/45/01/950194501.db2.gz FADWPZPQTCGDFM-NWDGAFQWSA-N -1 1 384.469 1.929 20 0 GDADMM C[C@H]1CCN(C(=O)c2cccs2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576191329 950194516 /nfs/dbraw/zinc/19/45/16/950194516.db2.gz FADWPZPQTCGDFM-NWDGAFQWSA-N -1 1 384.469 1.929 20 0 GDADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)Cc1ccccc1 ZINC001574155583 950204028 /nfs/dbraw/zinc/20/40/28/950204028.db2.gz OJHMOHCVSZIIBB-OAHLLOKOSA-N -1 1 380.456 1.264 20 0 GDADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)C(F)(F)F ZINC001574155580 950204217 /nfs/dbraw/zinc/20/42/17/950204217.db2.gz OHFBMFXTWVTXCJ-VHSXEESVSA-N -1 1 386.382 1.220 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@H](C)C(C)(F)F ZINC001574155690 950207135 /nfs/dbraw/zinc/20/71/35/950207135.db2.gz QFGHQELBDYGYEF-QWRGUYRKSA-N -1 1 382.419 1.891 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@H](C)C(C)(F)F ZINC001574155690 950207148 /nfs/dbraw/zinc/20/71/48/950207148.db2.gz QFGHQELBDYGYEF-QWRGUYRKSA-N -1 1 382.419 1.891 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2sccc2F)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575901040 950213686 /nfs/dbraw/zinc/21/36/86/950213686.db2.gz KEVKZNJPULFKQW-MWLCHTKSSA-N -1 1 388.432 1.645 20 0 GDADMM C[C@@H]1[C@H](NC(=O)c2sccc2F)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575901040 950213702 /nfs/dbraw/zinc/21/37/02/950213702.db2.gz KEVKZNJPULFKQW-MWLCHTKSSA-N -1 1 388.432 1.645 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001573845474 950230637 /nfs/dbraw/zinc/23/06/37/950230637.db2.gz FXOYJNFZKJPTMB-BFHYXJOUSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001573845474 950230658 /nfs/dbraw/zinc/23/06/58/950230658.db2.gz FXOYJNFZKJPTMB-BFHYXJOUSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C1(C(F)F)CC1 ZINC001574157394 950234266 /nfs/dbraw/zinc/23/42/66/950234266.db2.gz AIECHLQELWKHJZ-SNVBAGLBSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C1(C(F)F)CC1 ZINC001574157394 950234283 /nfs/dbraw/zinc/23/42/83/950234283.db2.gz AIECHLQELWKHJZ-SNVBAGLBSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@H](CC(=O)NC[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1)CC(C)(C)C ZINC001574497664 950236183 /nfs/dbraw/zinc/23/61/83/950236183.db2.gz ASRXRZOZEJBCMB-VXGBXAGGSA-N -1 1 376.465 1.008 20 0 GDADMM C[C@H](CC(=O)NC[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1)CC(C)(C)C ZINC001574497664 950236189 /nfs/dbraw/zinc/23/61/89/950236189.db2.gz ASRXRZOZEJBCMB-VXGBXAGGSA-N -1 1 376.465 1.008 20 0 GDADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001574157717 950249789 /nfs/dbraw/zinc/24/97/89/950249789.db2.gz HHMVPAVSEOOQCE-QLFBSQMISA-N -1 1 384.488 1.458 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C1(C)CCOCC1 ZINC001574157784 950255676 /nfs/dbraw/zinc/25/56/76/950255676.db2.gz IPQIIVUZDOOAGG-ZDUSSCGKSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C1(C)CCOCC1 ZINC001574157784 950255697 /nfs/dbraw/zinc/25/56/97/950255697.db2.gz IPQIIVUZDOOAGG-ZDUSSCGKSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2ncccc2[O-])CCCN1c1ccc(-c2nn[nH]n2)cn1 ZINC001575902267 950255983 /nfs/dbraw/zinc/25/59/83/950255983.db2.gz UCMXSILZUVUNLF-WCQYABFASA-N -1 1 380.412 1.150 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1CCC1(F)F ZINC001574157852 950259755 /nfs/dbraw/zinc/25/97/55/950259755.db2.gz JVSUYLNYCNSSOB-MNOVXSKESA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1CCC1(F)F ZINC001574157852 950259774 /nfs/dbraw/zinc/25/97/74/950259774.db2.gz JVSUYLNYCNSSOB-MNOVXSKESA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CC1CCOCC1 ZINC001574158490 950280339 /nfs/dbraw/zinc/28/03/39/950280339.db2.gz BJUOFZILYFKTLT-CQSZACIVSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CC1CCOCC1 ZINC001574158490 950280353 /nfs/dbraw/zinc/28/03/53/950280353.db2.gz BJUOFZILYFKTLT-CQSZACIVSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@@H](CN(C)C(=O)c1c[nH]nc1C(C)(C)C)Nc1nccnc1-c1nnn[n-]1 ZINC001574742346 950282576 /nfs/dbraw/zinc/28/25/76/950282576.db2.gz KBLOZWSZOFJJKP-JTQLQIEISA-N -1 1 384.448 1.250 20 0 GDADMM C[C@@H](CN(C)C(=O)c1c[nH]nc1C(C)(C)C)Nc1nccnc1-c1nn[n-]n1 ZINC001574742346 950282593 /nfs/dbraw/zinc/28/25/93/950282593.db2.gz KBLOZWSZOFJJKP-JTQLQIEISA-N -1 1 384.448 1.250 20 0 GDADMM C[C@H](CC(=O)NCC1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574499212 950296957 /nfs/dbraw/zinc/29/69/57/950296957.db2.gz TZIINESESDMTHQ-PNESKVBLSA-N -1 1 382.428 1.172 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@]1(C)C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001573852341 950304691 /nfs/dbraw/zinc/30/46/91/950304691.db2.gz FPRWJHODEVQABJ-GOSISDBHSA-N -1 1 387.444 1.668 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@]1(C)C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001573852341 950304710 /nfs/dbraw/zinc/30/47/10/950304710.db2.gz FPRWJHODEVQABJ-GOSISDBHSA-N -1 1 387.444 1.668 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)C1 ZINC001573852910 950312563 /nfs/dbraw/zinc/31/25/63/950312563.db2.gz KYLMITKJQZEHGW-SFHVURJKSA-N -1 1 387.444 1.525 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)C1 ZINC001573852910 950312576 /nfs/dbraw/zinc/31/25/76/950312576.db2.gz KYLMITKJQZEHGW-SFHVURJKSA-N -1 1 387.444 1.525 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001574501289 950327442 /nfs/dbraw/zinc/32/74/42/950327442.db2.gz CPLQJXAIKPOAHC-VHSXEESVSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001574501289 950327463 /nfs/dbraw/zinc/32/74/63/950327463.db2.gz CPLQJXAIKPOAHC-VHSXEESVSA-N -1 1 384.366 1.188 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001573853997 950338716 /nfs/dbraw/zinc/33/87/16/950338716.db2.gz WIDIWUCWWDBWKX-LLVKDONJSA-N -1 1 378.458 1.944 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCCCCN1c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001574502241 950366248 /nfs/dbraw/zinc/36/62/48/950366248.db2.gz KXQZGQSFTZKOFH-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1CCCCCN1c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001574502241 950366267 /nfs/dbraw/zinc/36/62/67/950366267.db2.gz KXQZGQSFTZKOFH-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)c1ccco1 ZINC001574502257 950368987 /nfs/dbraw/zinc/36/89/87/950368987.db2.gz LCARZNKRODYSKH-CHWSQXEVSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)c1ccco1 ZINC001574502257 950369014 /nfs/dbraw/zinc/36/90/14/950369014.db2.gz LCARZNKRODYSKH-CHWSQXEVSA-N -1 1 382.428 1.529 20 0 GDADMM CC1(C(=O)NC[C@H]2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CC(F)(F)C1 ZINC001575596517 950375326 /nfs/dbraw/zinc/37/53/26/950375326.db2.gz FGKVEUDWBZPOGQ-WDEREUQCSA-N -1 1 392.414 1.789 20 0 GDADMM CC1(C(=O)NC[C@H]2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CC(F)(F)C1 ZINC001575596517 950375346 /nfs/dbraw/zinc/37/53/46/950375346.db2.gz FGKVEUDWBZPOGQ-WDEREUQCSA-N -1 1 392.414 1.789 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CCC1(F)F ZINC001574162462 950382181 /nfs/dbraw/zinc/38/21/81/950382181.db2.gz BAULPYLCUUJLMU-QWRGUYRKSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CCC1(F)F ZINC001574162462 950382207 /nfs/dbraw/zinc/38/22/07/950382207.db2.gz BAULPYLCUUJLMU-QWRGUYRKSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)nc3)[C@@H]2C1 ZINC001573856543 950390063 /nfs/dbraw/zinc/39/00/63/950390063.db2.gz CBXAVDLNMGUIGN-TZMCWYRMSA-N -1 1 385.428 1.343 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)nc3)[C@@H]2C1 ZINC001573856543 950390083 /nfs/dbraw/zinc/39/00/83/950390083.db2.gz CBXAVDLNMGUIGN-TZMCWYRMSA-N -1 1 385.428 1.343 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H](C)C(C)(F)F ZINC001574162952 950412000 /nfs/dbraw/zinc/41/20/00/950412000.db2.gz NXXMVLMWTBOYIG-GHMZBOCLSA-N -1 1 382.419 1.891 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H](C)C(C)(F)F ZINC001574162952 950412010 /nfs/dbraw/zinc/41/20/10/950412010.db2.gz NXXMVLMWTBOYIG-GHMZBOCLSA-N -1 1 382.419 1.891 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573860392 950423254 /nfs/dbraw/zinc/42/32/54/950423254.db2.gz IYGUEIAQXGZYIC-SNVBAGLBSA-N -1 1 393.473 1.737 20 0 GDADMM CC(C)(C)OC(=O)NC[C@H]1CCCN1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001573861005 950435468 /nfs/dbraw/zinc/43/54/68/950435468.db2.gz OSOSDZKJLWRBFE-LLVKDONJSA-N -1 1 388.432 1.783 20 0 GDADMM CC(C)(C)OC(=O)NC[C@H]1CCCN1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001573861005 950435477 /nfs/dbraw/zinc/43/54/77/950435477.db2.gz OSOSDZKJLWRBFE-LLVKDONJSA-N -1 1 388.432 1.783 20 0 GDADMM CC1(C(=O)NCc2ccc(CNc3cnc(-c4nnn[n-]4)cn3)cc2F)CC1 ZINC001575600378 950441157 /nfs/dbraw/zinc/44/11/57/950441157.db2.gz XDTNLDKDTWIJRS-UHFFFAOYSA-N -1 1 382.403 1.824 20 0 GDADMM CC1(C(=O)NCc2ccc(CNc3cnc(-c4nn[n-]n4)cn3)cc2F)CC1 ZINC001575600378 950441168 /nfs/dbraw/zinc/44/11/68/950441168.db2.gz XDTNLDKDTWIJRS-UHFFFAOYSA-N -1 1 382.403 1.824 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001574506774 950442157 /nfs/dbraw/zinc/44/21/57/950442157.db2.gz FMCOPDFWWZHJQC-RWMBFGLXSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001574506774 950442169 /nfs/dbraw/zinc/44/21/69/950442169.db2.gz FMCOPDFWWZHJQC-RWMBFGLXSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc2n(c1)CCCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574751275 950457598 /nfs/dbraw/zinc/45/75/98/950457598.db2.gz MRNKHEHSVPIXJP-LBPRGKRZSA-N -1 1 381.444 1.367 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc2n(c1)CCCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574751275 950457613 /nfs/dbraw/zinc/45/76/13/950457613.db2.gz MRNKHEHSVPIXJP-LBPRGKRZSA-N -1 1 381.444 1.367 20 0 GDADMM C[C@H](CC(=O)NCCN(C)c1nccnc1-c1nnn[n-]1)c1ccccc1F ZINC001574507756 950462984 /nfs/dbraw/zinc/46/29/84/950462984.db2.gz IGBRZIWZPCGZGF-GFCCVEGCSA-N -1 1 384.419 1.542 20 0 GDADMM C[C@H](CC(=O)NCCN(C)c1nccnc1-c1nn[n-]n1)c1ccccc1F ZINC001574507756 950462999 /nfs/dbraw/zinc/46/29/99/950462999.db2.gz IGBRZIWZPCGZGF-GFCCVEGCSA-N -1 1 384.419 1.542 20 0 GDADMM CC(C)(C)OC(=O)c1ccc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)nc1 ZINC001573864011 950493398 /nfs/dbraw/zinc/49/33/98/950493398.db2.gz WHQMWZSYASNUMW-UHFFFAOYSA-N -1 1 381.396 1.793 20 0 GDADMM CC(C)(C)OC(=O)c1ccc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)nc1 ZINC001573864011 950493407 /nfs/dbraw/zinc/49/34/07/950493407.db2.gz WHQMWZSYASNUMW-UHFFFAOYSA-N -1 1 381.396 1.793 20 0 GDADMM CC(C)(C)OC(=O)c1ccc(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)nc1 ZINC001573863974 950494465 /nfs/dbraw/zinc/49/44/65/950494465.db2.gz VJKUNDIMCRPOJC-UHFFFAOYSA-N -1 1 381.396 1.542 20 0 GDADMM CC(C)(C)OC(=O)c1ccc(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)nc1 ZINC001573863974 950494474 /nfs/dbraw/zinc/49/44/74/950494474.db2.gz VJKUNDIMCRPOJC-UHFFFAOYSA-N -1 1 381.396 1.542 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cc(C2CC2)no1 ZINC001575915712 950520328 /nfs/dbraw/zinc/52/03/28/950520328.db2.gz OAEXHDKGWASGNP-KOLCDFICSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cc(C2CC2)no1 ZINC001575915712 950520344 /nfs/dbraw/zinc/52/03/44/950520344.db2.gz OAEXHDKGWASGNP-KOLCDFICSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@H](CC(=O)NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1)n1cccc1 ZINC001574509621 950520342 /nfs/dbraw/zinc/52/03/42/950520342.db2.gz TYFZYMZCTADMQN-CYBMUJFWSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](CC(=O)NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1)n1cccc1 ZINC001574509621 950520358 /nfs/dbraw/zinc/52/03/58/950520358.db2.gz TYFZYMZCTADMQN-CYBMUJFWSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cccc(C(F)F)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574753527 950528621 /nfs/dbraw/zinc/52/86/21/950528621.db2.gz OKZXXOLOVUFARZ-JTQLQIEISA-N -1 1 388.382 1.589 20 0 GDADMM CC(C)CCC(=O)N1CC[C@@]2(C1)CCCN(c1nccnc1-c1nnn[n-]1)C2 ZINC001574170337 950535463 /nfs/dbraw/zinc/53/54/63/950535463.db2.gz GKGBGGFTJSTXSF-LJQANCHMSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)CCC(=O)N1CC[C@@]2(C1)CCCN(c1nccnc1-c1nn[n-]n1)C2 ZINC001574170337 950535474 /nfs/dbraw/zinc/53/54/74/950535474.db2.gz GKGBGGFTJSTXSF-LJQANCHMSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@H](CC(=O)NCCN(C)c1cncc(-c2nnn[n-]2)n1)c1cccc(F)c1 ZINC001574509997 950536618 /nfs/dbraw/zinc/53/66/18/950536618.db2.gz XYTWHHTWFNBTGO-GFCCVEGCSA-N -1 1 384.419 1.542 20 0 GDADMM C[C@H](CC(=O)NCCN(C)c1cncc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001574509997 950536637 /nfs/dbraw/zinc/53/66/37/950536637.db2.gz XYTWHHTWFNBTGO-GFCCVEGCSA-N -1 1 384.419 1.542 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc(C(F)F)o1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574754101 950557512 /nfs/dbraw/zinc/55/75/12/950557512.db2.gz XXTIREZEJNFVCC-QMMMGPOBSA-N -1 1 378.343 1.182 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001575616981 950593254 /nfs/dbraw/zinc/59/32/54/950593254.db2.gz WZRUVDMEJRCUQA-UHFFFAOYSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001575616981 950593268 /nfs/dbraw/zinc/59/32/68/950593268.db2.gz WZRUVDMEJRCUQA-UHFFFAOYSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575617215 950598140 /nfs/dbraw/zinc/59/81/40/950598140.db2.gz YIQVJNCYQDBMEA-UHFFFAOYSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccn(C)c1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574758343 950608282 /nfs/dbraw/zinc/60/82/82/950608282.db2.gz BGPXKIAFXLVIQV-MRVPVSSYSA-N -1 1 380.865 1.888 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccn(C)c1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574758343 950608296 /nfs/dbraw/zinc/60/82/96/950608296.db2.gz BGPXKIAFXLVIQV-MRVPVSSYSA-N -1 1 380.865 1.888 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cccc2c1CCC2 ZINC001575919375 950616337 /nfs/dbraw/zinc/61/63/37/950616337.db2.gz HCVJDDNOKDCRNO-MLGOLLRUSA-N -1 1 390.451 1.861 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1cccc2c1CCC2 ZINC001575919375 950616353 /nfs/dbraw/zinc/61/63/53/950616353.db2.gz HCVJDDNOKDCRNO-MLGOLLRUSA-N -1 1 390.451 1.861 20 0 GDADMM C[C@H](CNC(=O)c1cc2c([nH]1)CCCC2)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575000845 950618681 /nfs/dbraw/zinc/61/86/81/950618681.db2.gz GVFWBEQGVCBAQB-LLVKDONJSA-N -1 1 381.444 1.118 20 0 GDADMM C[C@H](CNC(=O)c1cc2c([nH]1)CCCC2)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575000845 950618695 /nfs/dbraw/zinc/61/86/95/950618695.db2.gz GVFWBEQGVCBAQB-LLVKDONJSA-N -1 1 381.444 1.118 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)cn1C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575001184 950622825 /nfs/dbraw/zinc/62/28/25/950622825.db2.gz UZUSMEUIYMBJCL-VIFPVBQESA-N -1 1 375.824 1.127 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)cn1C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575001184 950622851 /nfs/dbraw/zinc/62/28/51/950622851.db2.gz UZUSMEUIYMBJCL-VIFPVBQESA-N -1 1 375.824 1.127 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001574517676 950644385 /nfs/dbraw/zinc/64/43/85/950644385.db2.gz LEOJFMGCYDPQME-IHRRRGAJSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001574517676 950644401 /nfs/dbraw/zinc/64/44/01/950644401.db2.gz LEOJFMGCYDPQME-IHRRRGAJSA-N -1 1 381.444 1.416 20 0 GDADMM CC(C)NC(=O)c1nnc(N2CC[C@H](C)C2)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001576214060 950654531 /nfs/dbraw/zinc/65/45/31/950654531.db2.gz MEJBMNBUMGVMPC-NSHDSACASA-N -1 1 385.432 1.084 20 0 GDADMM CC(C)NC(=O)c1nnc(N2CC[C@H](C)C2)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001576214060 950654540 /nfs/dbraw/zinc/65/45/40/950654540.db2.gz MEJBMNBUMGVMPC-NSHDSACASA-N -1 1 385.432 1.084 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CC[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001573876117 950661525 /nfs/dbraw/zinc/66/15/25/950661525.db2.gz DPWGIDNGAWLXCG-BFHYXJOUSA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CC[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001573876117 950661539 /nfs/dbraw/zinc/66/15/39/950661539.db2.gz DPWGIDNGAWLXCG-BFHYXJOUSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H](CN(C)C(=O)c1cccc2c1OCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574760316 950663995 /nfs/dbraw/zinc/66/39/95/950663995.db2.gz VOVKSXJHBJXDDU-LLVKDONJSA-N -1 1 380.412 1.164 20 0 GDADMM C[C@H](CN(C)C(=O)c1cccc2c1OCC2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574760316 950664009 /nfs/dbraw/zinc/66/40/09/950664009.db2.gz VOVKSXJHBJXDDU-LLVKDONJSA-N -1 1 380.412 1.164 20 0 GDADMM CC1(C)CC(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575624137 950664944 /nfs/dbraw/zinc/66/49/44/950664944.db2.gz GYTMOJPWCYJYFG-OKILXGFUSA-N -1 1 382.472 1.663 20 0 GDADMM CC1(C)CC(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575624137 950664953 /nfs/dbraw/zinc/66/49/53/950664953.db2.gz GYTMOJPWCYJYFG-OKILXGFUSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H](CC(=O)Nc1ccc(Br)c(-c2nnn[n-]2)n1)n1ccnc1 ZINC001574519003 950665327 /nfs/dbraw/zinc/66/53/27/950665327.db2.gz ALTMABWBRDAQSG-QMMMGPOBSA-N -1 1 377.206 1.811 20 0 GDADMM C[C@@H](CC(=O)Nc1ccc(Br)c(-c2nn[n-]n2)n1)n1ccnc1 ZINC001574519003 950665338 /nfs/dbraw/zinc/66/53/38/950665338.db2.gz ALTMABWBRDAQSG-QMMMGPOBSA-N -1 1 377.206 1.811 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1csc(Cl)n1 ZINC001575924185 950668084 /nfs/dbraw/zinc/66/80/84/950668084.db2.gz DWSARGOXIAIOKA-HTQZYQBOSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1csc(Cl)n1 ZINC001575924185 950668105 /nfs/dbraw/zinc/66/81/05/950668105.db2.gz DWSARGOXIAIOKA-HTQZYQBOSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1[C@H](Nc2cccc(F)c2-c2nn[nH]n2)CCN1C(=O)c1ncccc1[O-] ZINC001575924582 950674691 /nfs/dbraw/zinc/67/46/91/950674691.db2.gz SKKXGYZGUJGEMT-ZYHUDNBSSA-N -1 1 383.387 1.822 20 0 GDADMM C[C@H](CN(C)C(=O)c1cccn1C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574760708 950677619 /nfs/dbraw/zinc/67/76/19/950677619.db2.gz YIRYYSWXEYHECR-MRVPVSSYSA-N -1 1 380.865 1.888 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001573877516 950689909 /nfs/dbraw/zinc/68/99/09/950689909.db2.gz DJTVOZWYSPLRKH-XGFWRYKXSA-N -1 1 382.472 1.137 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001573877516 950689928 /nfs/dbraw/zinc/68/99/28/950689928.db2.gz DJTVOZWYSPLRKH-XGFWRYKXSA-N -1 1 382.472 1.137 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC1(CNc2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001573878079 950698777 /nfs/dbraw/zinc/69/87/77/950698777.db2.gz JTLCOHFDSJTYLN-CHWSQXEVSA-N -1 1 384.488 1.602 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576215816 950708739 /nfs/dbraw/zinc/70/87/39/950708739.db2.gz BNFAGTJVIBNFQQ-UWVGGRQHSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576215816 950708752 /nfs/dbraw/zinc/70/87/52/950708752.db2.gz BNFAGTJVIBNFQQ-UWVGGRQHSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576215815 950710068 /nfs/dbraw/zinc/71/00/68/950710068.db2.gz BNFAGTJVIBNFQQ-NXEZZACHSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576215815 950710082 /nfs/dbraw/zinc/71/00/82/950710082.db2.gz BNFAGTJVIBNFQQ-NXEZZACHSA-N -1 1 378.387 1.351 20 0 GDADMM CC1(C)CC(C(=O)NC[C@]2(C)CCCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001575628243 950715576 /nfs/dbraw/zinc/71/55/76/950715576.db2.gz AMRDYSYBCHBMBD-IBGZPJMESA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C)CC(C(=O)NC[C@]2(C)CCCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001575628243 950715593 /nfs/dbraw/zinc/71/55/93/950715593.db2.gz AMRDYSYBCHBMBD-IBGZPJMESA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cc(C(F)F)n[nH]1 ZINC001575926697 950719977 /nfs/dbraw/zinc/71/99/77/950719977.db2.gz LDBHRLLOMIDNNX-JGVFFNPUSA-N -1 1 390.358 1.033 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cc(C(F)F)n[nH]1 ZINC001575926703 950720502 /nfs/dbraw/zinc/72/05/02/950720502.db2.gz LDBHRLLOMIDNNX-YUMQZZPRSA-N -1 1 390.358 1.033 20 0 GDADMM CC1(C)CC(C(=O)NC[C@@H](O)CNc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001575628727 950722357 /nfs/dbraw/zinc/72/23/57/950722357.db2.gz FUJIQZUDXBKODX-MRVPVSSYSA-N -1 1 385.881 1.302 20 0 GDADMM CC1(C)CC(C(=O)NC[C@@H](O)CNc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001575628727 950722380 /nfs/dbraw/zinc/72/23/80/950722380.db2.gz FUJIQZUDXBKODX-MRVPVSSYSA-N -1 1 385.881 1.302 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1nccs1 ZINC001575927344 950742299 /nfs/dbraw/zinc/74/22/99/950742299.db2.gz PHBGWVKCTNTWJK-QWRGUYRKSA-N -1 1 385.457 1.147 20 0 GDADMM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1nccs1 ZINC001575927344 950742315 /nfs/dbraw/zinc/74/23/15/950742315.db2.gz PHBGWVKCTNTWJK-QWRGUYRKSA-N -1 1 385.457 1.147 20 0 GDADMM CC(C)(C)c1cc(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)[nH]n1 ZINC001573880414 950745805 /nfs/dbraw/zinc/74/58/05/950745805.db2.gz ZURJNYIYEKPVCF-SNVBAGLBSA-N -1 1 382.432 1.004 20 0 GDADMM CC1(C)CC(C(=O)N[C@@]23CCC[C@H]2N(c2cnc(-c4nnn[n-]4)cn2)CC3)C1 ZINC001575630005 950751586 /nfs/dbraw/zinc/75/15/86/950751586.db2.gz YCWJULGTQIUFQT-AUUYWEPGSA-N -1 1 382.472 1.711 20 0 GDADMM CC1(C)CC(C(=O)N[C@@]23CCC[C@H]2N(c2cnc(-c4nn[n-]n4)cn2)CC3)C1 ZINC001575630005 950751604 /nfs/dbraw/zinc/75/16/04/950751604.db2.gz YCWJULGTQIUFQT-AUUYWEPGSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)COC1CCCCC1 ZINC001575927825 950761222 /nfs/dbraw/zinc/76/12/22/950761222.db2.gz VCSQDEOFTIFWKZ-GXTWGEPZSA-N -1 1 386.460 1.407 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)COC1CCCCC1 ZINC001575927825 950761242 /nfs/dbraw/zinc/76/12/42/950761242.db2.gz VCSQDEOFTIFWKZ-GXTWGEPZSA-N -1 1 386.460 1.407 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccc(CF)cc1 ZINC001575927947 950764254 /nfs/dbraw/zinc/76/42/54/950764254.db2.gz WMOKDGQUJXINIM-RISCZKNCSA-N -1 1 382.403 1.841 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccc(CF)cc1 ZINC001575927947 950764273 /nfs/dbraw/zinc/76/42/73/950764273.db2.gz WMOKDGQUJXINIM-RISCZKNCSA-N -1 1 382.403 1.841 20 0 GDADMM C[C@H](CN(C)C(=O)c1csc(Cl)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574765076 950775277 /nfs/dbraw/zinc/77/52/77/950775277.db2.gz DDJFJHSAHYUFDJ-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CN(C)C(=O)c1csc(Cl)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574765076 950775289 /nfs/dbraw/zinc/77/52/89/950775289.db2.gz DDJFJHSAHYUFDJ-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H]1[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCN1C(=O)c1cnccn1 ZINC001575930159 950791936 /nfs/dbraw/zinc/79/19/36/950791936.db2.gz DTGUVDWTTYVBQP-JGVFFNPUSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C(C)(F)F)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576218790 950793397 /nfs/dbraw/zinc/79/33/97/950793397.db2.gz RPABEUZJPWQUKY-UWVGGRQHSA-N -1 1 380.403 1.019 20 0 GDADMM CC1(C)CC(CC(=O)NC2(C)CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001575632334 950794502 /nfs/dbraw/zinc/79/45/02/950794502.db2.gz HWPCOIJCNHXLQT-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CC(CC(=O)NC2(C)CCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001575632334 950794518 /nfs/dbraw/zinc/79/45/18/950794518.db2.gz HWPCOIJCNHXLQT-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C)c1nc[nH]c1C(=O)NCC=CCNc1cncc(-c2nnn[n-]2)n1 ZINC001573884704 950802417 /nfs/dbraw/zinc/80/24/17/950802417.db2.gz JGAKMXZEHLPMEH-PLNGDYQASA-N -1 1 382.432 1.075 20 0 GDADMM CC(C)(C)c1nc[nH]c1C(=O)NCC=CCNc1cncc(-c2nn[n-]n2)n1 ZINC001573884704 950802439 /nfs/dbraw/zinc/80/24/39/950802439.db2.gz JGAKMXZEHLPMEH-PLNGDYQASA-N -1 1 382.432 1.075 20 0 GDADMM CC1(C)CC(CC(=O)NC[C@H]2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001575632816 950804177 /nfs/dbraw/zinc/80/41/77/950804177.db2.gz NOKONLZFMISINT-GXTWGEPZSA-N -1 1 384.488 1.602 20 0 GDADMM CC1(C)CC(CC(=O)NC2(C)CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001575632798 950805177 /nfs/dbraw/zinc/80/51/77/950805177.db2.gz MUOBJYGMLXJXDK-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CC(CC(=O)NC2(C)CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001575632798 950805196 /nfs/dbraw/zinc/80/51/96/950805196.db2.gz MUOBJYGMLXJXDK-UHFFFAOYSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H]1[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCN1C(=O)c1cn[nH]c1 ZINC001575931932 950815394 /nfs/dbraw/zinc/81/53/94/950815394.db2.gz JMSHKVSBSHAEHW-HTRCEHHLSA-N -1 1 379.837 1.415 20 0 GDADMM CC(C)(C)c1nnc(N2CCc3[nH]c(=O)c(-c4nn[n-]n4)cc3C2)n1CC1CC1 ZINC001573885118 950818183 /nfs/dbraw/zinc/81/81/83/950818183.db2.gz PLCXEUVSTYGCRB-UHFFFAOYSA-N -1 1 395.471 1.829 20 0 GDADMM C[C@H](CN(C)C(=O)c1ncccn1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574766839 950832577 /nfs/dbraw/zinc/83/25/77/950832577.db2.gz MYKDJDXEHUIDER-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CN(C)C(=O)c1ncccn1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574766839 950832602 /nfs/dbraw/zinc/83/26/02/950832602.db2.gz MYKDJDXEHUIDER-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM CC(C)(C)c1nc[nH]c1C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573885877 950835939 /nfs/dbraw/zinc/83/59/39/950835939.db2.gz WDPPBNAXHOHIFT-AOOOYVTPSA-N -1 1 382.432 1.050 20 0 GDADMM CC(C)(C)c1nc[nH]c1C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573885877 950835959 /nfs/dbraw/zinc/83/59/59/950835959.db2.gz WDPPBNAXHOHIFT-AOOOYVTPSA-N -1 1 382.432 1.050 20 0 GDADMM C[C@@H]1[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)CCN1C(=O)c1cnco1 ZINC001575933268 950837272 /nfs/dbraw/zinc/83/72/72/950837272.db2.gz NRUVABZUMTXYBI-RNFRBKRXSA-N -1 1 380.821 1.680 20 0 GDADMM C[C@@H]1[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCN1C(=O)c1cnco1 ZINC001575933268 950837293 /nfs/dbraw/zinc/83/72/93/950837293.db2.gz NRUVABZUMTXYBI-RNFRBKRXSA-N -1 1 380.821 1.680 20 0 GDADMM C[C@H]1[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)CCN1C(=O)c1cnco1 ZINC001575933267 950837337 /nfs/dbraw/zinc/83/73/37/950837337.db2.gz NRUVABZUMTXYBI-NKWVEPMBSA-N -1 1 380.821 1.680 20 0 GDADMM C[C@H]1[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCN1C(=O)c1cnco1 ZINC001575933267 950837358 /nfs/dbraw/zinc/83/73/58/950837358.db2.gz NRUVABZUMTXYBI-NKWVEPMBSA-N -1 1 380.821 1.680 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)(F)F)CC2)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576222042 950863118 /nfs/dbraw/zinc/86/31/18/950863118.db2.gz XEBDSAHAKRARGC-IUCAKERBSA-N -1 1 382.350 1.258 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)(F)F)CC2)C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576222042 950863135 /nfs/dbraw/zinc/86/31/35/950863135.db2.gz XEBDSAHAKRARGC-IUCAKERBSA-N -1 1 382.350 1.258 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ncoc1C1CC1 ZINC001575934959 950868057 /nfs/dbraw/zinc/86/80/57/950868057.db2.gz UEBXTSZICJKYCC-KOLCDFICSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ncoc1C1CC1 ZINC001575934959 950868075 /nfs/dbraw/zinc/86/80/75/950868075.db2.gz UEBXTSZICJKYCC-KOLCDFICSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCCn1cccc1 ZINC001575935584 950887713 /nfs/dbraw/zinc/88/77/13/950887713.db2.gz YGIZEIHPQGLFDU-KBPBESRZSA-N -1 1 381.444 1.340 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCCn1cccc1 ZINC001575935584 950887721 /nfs/dbraw/zinc/88/77/21/950887721.db2.gz YGIZEIHPQGLFDU-KBPBESRZSA-N -1 1 381.444 1.340 20 0 GDADMM CC(C)CCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001574189605 950892571 /nfs/dbraw/zinc/89/25/71/950892571.db2.gz OMQDSHJCAUOJIE-ZNMIVQPWSA-N -1 1 384.488 1.957 20 0 GDADMM CC1(C)C[C@H](NC(=O)c2ccco2)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575640570 950896633 /nfs/dbraw/zinc/89/66/33/950896633.db2.gz IWABPNDEMCEDLG-GFCCVEGCSA-N -1 1 382.428 1.675 20 0 GDADMM CC1(C)C[C@H](NC(=O)c2ccco2)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575640570 950896651 /nfs/dbraw/zinc/89/66/51/950896651.db2.gz IWABPNDEMCEDLG-GFCCVEGCSA-N -1 1 382.428 1.675 20 0 GDADMM CC1(C)C[C@@H](NC(=O)c2ccco2)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575640572 950897739 /nfs/dbraw/zinc/89/77/39/950897739.db2.gz IWABPNDEMCEDLG-LBPRGKRZSA-N -1 1 382.428 1.675 20 0 GDADMM CC1(C)C[C@@H](NC(=O)c2ccco2)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575640572 950897757 /nfs/dbraw/zinc/89/77/57/950897757.db2.gz IWABPNDEMCEDLG-LBPRGKRZSA-N -1 1 382.428 1.675 20 0 GDADMM C[C@H]1CN(C(=O)C2CC3(CC3)C2)CC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576227297 950904285 /nfs/dbraw/zinc/90/42/85/950904285.db2.gz FOCXUHMAKAMYSM-STQMWFEESA-N -1 1 382.472 1.165 20 0 GDADMM CC(C)c1ncsc1C(=O)N(C)C[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574769095 950909605 /nfs/dbraw/zinc/90/96/05/950909605.db2.gz ZNXNMRGVAIELMZ-JTQLQIEISA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)c1ncsc1C(=O)N(C)C[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574769095 950909621 /nfs/dbraw/zinc/90/96/21/950909621.db2.gz ZNXNMRGVAIELMZ-JTQLQIEISA-N -1 1 387.473 1.809 20 0 GDADMM C[C@H]1CN(C(=O)C2(F)CCCCC2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576227496 950910126 /nfs/dbraw/zinc/91/01/26/950910126.db2.gz DEQALGFFKKRONF-QWHCGFSZSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@H]1CN(C(=O)C2(F)CCCCC2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576227496 950910139 /nfs/dbraw/zinc/91/01/39/950910139.db2.gz DEQALGFFKKRONF-QWHCGFSZSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@@H]1CN(C(=O)C2CC3(CC3)C2)CC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576228037 950927628 /nfs/dbraw/zinc/92/76/28/950927628.db2.gz IFZHCLOZGIFOBY-CHWSQXEVSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@@H]1CN(C(=O)C2CC3(CC3)C2)CC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576228037 950927655 /nfs/dbraw/zinc/92/76/55/950927655.db2.gz IFZHCLOZGIFOBY-CHWSQXEVSA-N -1 1 382.472 1.743 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573895521 950937138 /nfs/dbraw/zinc/93/71/38/950937138.db2.gz BYURXVPVMXPLMB-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H]1CN(C(=O)C2CCC(F)(F)CC2)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576228397 950940506 /nfs/dbraw/zinc/94/05/06/950940506.db2.gz JXFMWNAELFUNRJ-GWCFXTLKSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@H]1CN(C(=O)C2CCC(F)(F)CC2)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576228397 950940520 /nfs/dbraw/zinc/94/05/20/950940520.db2.gz JXFMWNAELFUNRJ-GWCFXTLKSA-N -1 1 392.414 1.741 20 0 GDADMM CC(C)(CC(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)CC(F)F ZINC001573897445 950962506 /nfs/dbraw/zinc/96/25/06/950962506.db2.gz PLDNLBGZUNWONG-UHFFFAOYSA-N -1 1 380.403 1.377 20 0 GDADMM CC(C)(CC(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)CC(F)F ZINC001573897445 950962523 /nfs/dbraw/zinc/96/25/23/950962523.db2.gz PLDNLBGZUNWONG-UHFFFAOYSA-N -1 1 380.403 1.377 20 0 GDADMM CC(C)(CC(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001573899566 950984959 /nfs/dbraw/zinc/98/49/59/950984959.db2.gz FLPBEYJNCUBCLT-DTORHVGOSA-N -1 1 384.366 1.694 20 0 GDADMM CC(C)(CC(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001573899566 950984981 /nfs/dbraw/zinc/98/49/81/950984981.db2.gz FLPBEYJNCUBCLT-DTORHVGOSA-N -1 1 384.366 1.694 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C(C)(C)C)s1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575017391 950990970 /nfs/dbraw/zinc/99/09/70/950990970.db2.gz DVBVVMFXBBDBHK-JTQLQIEISA-N -1 1 386.485 1.668 20 0 GDADMM C[C@@H]1CC(=O)Nc2ccc(C(=O)NCc3nc(-c4nnn[n-]4)cs3)cc2N1 ZINC001575938972 950995866 /nfs/dbraw/zinc/99/58/66/950995866.db2.gz NWNIJYKJCZKCKG-MRVPVSSYSA-N -1 1 384.425 1.396 20 0 GDADMM C[C@@H]1CC(=O)Nc2ccc(C(=O)NCc3nc(-c4nn[n-]n4)cs3)cc2N1 ZINC001575938972 950995874 /nfs/dbraw/zinc/99/58/74/950995874.db2.gz NWNIJYKJCZKCKG-MRVPVSSYSA-N -1 1 384.425 1.396 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573900200 951000162 /nfs/dbraw/zinc/00/01/62/951000162.db2.gz UTLNGJZBBUKZDX-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573900200 951000183 /nfs/dbraw/zinc/00/01/83/951000183.db2.gz UTLNGJZBBUKZDX-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM CC(C)(CC(=O)Nc1n[nH]cc1-c1nnn[n-]1)NC(=O)OCc1ccccc1 ZINC001573900402 951003099 /nfs/dbraw/zinc/00/30/99/951003099.db2.gz ZZXKVWZGWWLLCV-UHFFFAOYSA-N -1 1 384.400 1.623 20 0 GDADMM CC(C)(CC(=O)Nc1n[nH]cc1-c1nn[n-]n1)NC(=O)OCc1ccccc1 ZINC001573900402 951003116 /nfs/dbraw/zinc/00/31/16/951003116.db2.gz ZZXKVWZGWWLLCV-UHFFFAOYSA-N -1 1 384.400 1.623 20 0 GDADMM CCOC(=O)N1C[C@H](CO)[C@H](NCc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)C1 ZINC001590873472 951007429 /nfs/dbraw/zinc/00/74/29/951007429.db2.gz NTGDNNHLGPUERL-SQWLQELKSA-N -1 1 395.456 1.119 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)F)cc1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575017768 951007844 /nfs/dbraw/zinc/00/78/44/951007844.db2.gz JXQAGEUUMDMSAL-SNVBAGLBSA-N -1 1 388.382 1.849 20 0 GDADMM C[C@H](CNC(=O)c1ccc(C(F)F)cc1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575017768 951007864 /nfs/dbraw/zinc/00/78/64/951007864.db2.gz JXQAGEUUMDMSAL-SNVBAGLBSA-N -1 1 388.382 1.849 20 0 GDADMM CC(C)c1ccc(C(=O)NC[C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)c(=O)[nH]1 ZINC001575019054 951032343 /nfs/dbraw/zinc/03/23/43/951032343.db2.gz QEYQOVOUNOQAHW-SNVBAGLBSA-N -1 1 383.416 1.111 20 0 GDADMM CC(C)c1ccc(C(=O)NC[C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)c(=O)[nH]1 ZINC001575019054 951032367 /nfs/dbraw/zinc/03/23/67/951032367.db2.gz QEYQOVOUNOQAHW-SNVBAGLBSA-N -1 1 383.416 1.111 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)s1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575022781 951073357 /nfs/dbraw/zinc/07/33/57/951073357.db2.gz JIHZNWRSJGPWAA-QMMMGPOBSA-N -1 1 378.849 1.272 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)cc1F)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575023593 951083782 /nfs/dbraw/zinc/08/37/82/951083782.db2.gz OKJFSTQUXUTKAT-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)cc1F)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575023593 951083794 /nfs/dbraw/zinc/08/37/94/951083794.db2.gz OKJFSTQUXUTKAT-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)c(Cl)c1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575024274 951097892 /nfs/dbraw/zinc/09/78/92/951097892.db2.gz ZINLZHOELJPBMF-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)c(Cl)c1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575024274 951097906 /nfs/dbraw/zinc/09/79/06/951097906.db2.gz ZINLZHOELJPBMF-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)C[C@@H](C)O2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575024477 951104373 /nfs/dbraw/zinc/10/43/73/951104373.db2.gz FMJBVFAKJHGRAC-GHMZBOCLSA-N -1 1 380.412 1.211 20 0 GDADMM C[C@H](CNC(=O)c1ccc2c(c1)C[C@@H](C)O2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575024477 951104382 /nfs/dbraw/zinc/10/43/82/951104382.db2.gz FMJBVFAKJHGRAC-GHMZBOCLSA-N -1 1 380.412 1.211 20 0 GDADMM C[C@H](CNC(=O)c1ccc(N(C)C)cc1F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575025168 951128207 /nfs/dbraw/zinc/12/82/07/951128207.db2.gz WKZINLNNCPQKTH-SNVBAGLBSA-N -1 1 385.407 1.092 20 0 GDADMM C[C@H](CNC(=O)c1ccc(N(C)C)cc1F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575025168 951128213 /nfs/dbraw/zinc/12/82/13/951128213.db2.gz WKZINLNNCPQKTH-SNVBAGLBSA-N -1 1 385.407 1.092 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2c1CCCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575026957 951150121 /nfs/dbraw/zinc/15/01/21/951150121.db2.gz BKGNJFJHVZVVFP-LBPRGKRZSA-N -1 1 378.440 1.188 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2cnccc21)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575027635 951162774 /nfs/dbraw/zinc/16/27/74/951162774.db2.gz HHGYZJRXVVZCGA-GFCCVEGCSA-N -1 1 389.423 1.105 20 0 GDADMM C[C@H](CNC(=O)c1cccc2c1CCC2)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575029003 951179422 /nfs/dbraw/zinc/17/94/22/951179422.db2.gz RAPVKGVBZUQZCM-GFCCVEGCSA-N -1 1 378.440 1.400 20 0 GDADMM C[C@@H](CNC(=O)c1ccn(C(C)(C)C)n1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575034820 951256517 /nfs/dbraw/zinc/25/65/17/951256517.db2.gz FCHBQPLMDGSVOA-LLVKDONJSA-N -1 1 384.448 1.086 20 0 GDADMM C[C@@H](CNC(=O)c1ccn(C(C)(C)C)n1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575034820 951256531 /nfs/dbraw/zinc/25/65/31/951256531.db2.gz FCHBQPLMDGSVOA-LLVKDONJSA-N -1 1 384.448 1.086 20 0 GDADMM C[C@H](CNC(=O)c1ccn(C2CCCC2)n1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575035110 951266890 /nfs/dbraw/zinc/26/68/90/951266890.db2.gz GIALUDVSPIRYPH-LLVKDONJSA-N -1 1 382.432 1.199 20 0 GDADMM C[C@H](CNC(=O)c1ccn(C2CCCC2)n1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575035110 951266907 /nfs/dbraw/zinc/26/69/07/951266907.db2.gz GIALUDVSPIRYPH-LLVKDONJSA-N -1 1 382.432 1.199 20 0 GDADMM C[C@@H](CNC(=O)c1ccn(C)n1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575035501 951277088 /nfs/dbraw/zinc/27/70/88/951277088.db2.gz JEGYEEOSGPTKRJ-ZETCQYMHSA-N -1 1 381.853 1.188 20 0 GDADMM C[C@@H](CNC(=O)c1ccn(C)n1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575035501 951277100 /nfs/dbraw/zinc/27/71/00/951277100.db2.gz JEGYEEOSGPTKRJ-ZETCQYMHSA-N -1 1 381.853 1.188 20 0 GDADMM C[C@@H](CNC(=O)c1ccnc(C2CC2)c1)CNc1nccnc1-c1nnn[n-]1 ZINC001575036204 951287843 /nfs/dbraw/zinc/28/78/43/951287843.db2.gz PNSQMJXJSKYWCQ-LLVKDONJSA-N -1 1 379.428 1.407 20 0 GDADMM C[C@@H](CNC(=O)c1ccnc(C2CC2)c1)CNc1nccnc1-c1nn[n-]n1 ZINC001575036204 951287849 /nfs/dbraw/zinc/28/78/49/951287849.db2.gz PNSQMJXJSKYWCQ-LLVKDONJSA-N -1 1 379.428 1.407 20 0 GDADMM C[C@@H](CNC(=O)c1cn(C)cn1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575042018 951355199 /nfs/dbraw/zinc/35/51/99/951355199.db2.gz FVJVQHTYQFDUSS-ZETCQYMHSA-N -1 1 381.853 1.188 20 0 GDADMM C[C@@H](CNC(=O)c1cn(C)cn1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575042018 951355211 /nfs/dbraw/zinc/35/52/11/951355211.db2.gz FVJVQHTYQFDUSS-ZETCQYMHSA-N -1 1 381.853 1.188 20 0 GDADMM C[C@H](CNC(=O)c1cnccn1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575047159 951452738 /nfs/dbraw/zinc/45/27/38/951452738.db2.gz YDFYNXCGJLZJMG-SSDOTTSWSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@H](CNC(=O)c1cnccn1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575047159 951452749 /nfs/dbraw/zinc/45/27/49/951452749.db2.gz YDFYNXCGJLZJMG-SSDOTTSWSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1csc(Cl)c1)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575058841 951535164 /nfs/dbraw/zinc/53/51/64/951535164.db2.gz VRTFGOWVUMMLQP-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@@H](CNC(=O)c1csc(Cl)c1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575058841 951535177 /nfs/dbraw/zinc/53/51/77/951535177.db2.gz VRTFGOWVUMMLQP-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM CC(C)(C)OC(=O)CCC[N@H+]1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001602877990 971754773 /nfs/dbraw/zinc/75/47/73/971754773.db2.gz JICNWNOLDZEEDD-CMPLNLGQSA-N -1 1 382.379 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1sccc1Cl)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575070509 951652326 /nfs/dbraw/zinc/65/23/26/951652326.db2.gz QUUYWANFXIRKMU-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@@H](CNC(=O)c1sccc1Cl)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575070509 951652331 /nfs/dbraw/zinc/65/23/31/951652331.db2.gz QUUYWANFXIRKMU-QMMMGPOBSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@@H](CNC(=O)c1sccc1C(F)F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575070616 951652467 /nfs/dbraw/zinc/65/24/67/951652467.db2.gz SOAVCSLPWWEUBK-ZETCQYMHSA-N -1 1 380.384 1.308 20 0 GDADMM O=C([O-])CN1CCC[C@H](C(=O)Nc2cccc(CN3CCSCC3)c2)C1=O ZINC001595086483 951734451 /nfs/dbraw/zinc/73/44/51/951734451.db2.gz DBOMDSMIUTUIBX-MRXNPFEDSA-N -1 1 391.493 1.497 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@@]2(CCCCN2[C@@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC001602889152 971792669 /nfs/dbraw/zinc/79/26/69/971792669.db2.gz QDILCDIBIONEDA-QRWLVFNGSA-N -1 1 395.500 1.928 20 0 GDADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)Cc1ccccc1)C1CC1 ZINC001575128429 952066584 /nfs/dbraw/zinc/06/65/84/952066584.db2.gz IGLQXDZVYVPTPH-LJQANCHMSA-N -1 1 378.440 1.596 20 0 GDADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)Cc1ccccc1)C1CC1 ZINC001575128429 952066592 /nfs/dbraw/zinc/06/65/92/952066592.db2.gz IGLQXDZVYVPTPH-LJQANCHMSA-N -1 1 378.440 1.596 20 0 GDADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)[C@H]1CC12CCCC2)C1CC1 ZINC001575128599 952069111 /nfs/dbraw/zinc/06/91/11/952069111.db2.gz JVXJAHPRGCDPHA-FZKQIMNGSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)[C@H]1CC12CCCC2)C1CC1 ZINC001575128599 952069119 /nfs/dbraw/zinc/06/91/19/952069119.db2.gz JVXJAHPRGCDPHA-FZKQIMNGSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)C[C@@H]1CCCOC1)C1CC1 ZINC001575129686 952086594 /nfs/dbraw/zinc/08/65/94/952086594.db2.gz YVMJUYBWEDCHNW-KPZWWZAWSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)C[C@@H]1CCCOC1)C1CC1 ZINC001575129686 952086598 /nfs/dbraw/zinc/08/65/98/952086598.db2.gz YVMJUYBWEDCHNW-KPZWWZAWSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)Cc1cc(C2CC2)no1 ZINC001575132604 952094945 /nfs/dbraw/zinc/09/49/45/952094945.db2.gz HKGFZPPPZQNSBE-JTQLQIEISA-N -1 1 383.416 1.024 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)Cc1cc(C2CC2)no1 ZINC001575132604 952094953 /nfs/dbraw/zinc/09/49/53/952094953.db2.gz HKGFZPPPZQNSBE-JTQLQIEISA-N -1 1 383.416 1.024 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)Cc1cc(C2CC2)no1 ZINC001575132608 952096766 /nfs/dbraw/zinc/09/67/66/952096766.db2.gz HKGFZPPPZQNSBE-SNVBAGLBSA-N -1 1 383.416 1.024 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)Cc1cc(C2CC2)no1 ZINC001575132608 952096775 /nfs/dbraw/zinc/09/67/75/952096775.db2.gz HKGFZPPPZQNSBE-SNVBAGLBSA-N -1 1 383.416 1.024 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1csc(C2CC2)n1 ZINC001575133502 952103586 /nfs/dbraw/zinc/10/35/86/952103586.db2.gz FJGDGPNIVNJNHC-VIFPVBQESA-N -1 1 385.457 1.563 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1csc(C2CC2)n1 ZINC001575133502 952103592 /nfs/dbraw/zinc/10/35/92/952103592.db2.gz FJGDGPNIVNJNHC-VIFPVBQESA-N -1 1 385.457 1.563 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)C(C)(C)[C@@H]1CCCCO1 ZINC001575135424 952117619 /nfs/dbraw/zinc/11/76/19/952117619.db2.gz RLCVPQTYQHHUDJ-JSGCOSHPSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)C(C)(C)[C@@H]1CCCCO1 ZINC001575135424 952117626 /nfs/dbraw/zinc/11/76/26/952117626.db2.gz RLCVPQTYQHHUDJ-JSGCOSHPSA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)[C@H]1CC[C@H](C(=O)NC[C@@H](C)CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575140542 952141749 /nfs/dbraw/zinc/14/17/49/952141749.db2.gz DOTKOFXDKYQDEL-KKUMJFAQSA-N -1 1 386.504 1.705 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H]1CCCC(F)(F)C1 ZINC001575144723 952170955 /nfs/dbraw/zinc/17/09/55/952170955.db2.gz XPCSYRLHHYEBPW-QWRGUYRKSA-N -1 1 380.403 1.163 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)Oc1ccc(Br)cc1 ZINC001575145397 952183335 /nfs/dbraw/zinc/18/33/35/952183335.db2.gz XCVNJDGOOFJQEJ-SECBINFHSA-N -1 1 376.218 1.721 20 0 GDADMM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)[C@H]1CC12CCCC2)C1CC1 ZINC001575146074 952191583 /nfs/dbraw/zinc/19/15/83/952191583.db2.gz HHYGUZMOOZNSDM-ACJLOTCBSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)[C@H]1CC12CCCC2)C1CC1 ZINC001575146074 952191589 /nfs/dbraw/zinc/19/15/89/952191589.db2.gz HHYGUZMOOZNSDM-ACJLOTCBSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H]1COc2ccccc21 ZINC001575153809 952212705 /nfs/dbraw/zinc/21/27/05/952212705.db2.gz LGHWZOTUMYNAPM-AAEUAGOBSA-N -1 1 380.412 1.092 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H]1COc2ccccc21 ZINC001575153809 952212711 /nfs/dbraw/zinc/21/27/11/952212711.db2.gz LGHWZOTUMYNAPM-AAEUAGOBSA-N -1 1 380.412 1.092 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1COc2ccccc21 ZINC001575153811 952213507 /nfs/dbraw/zinc/21/35/07/952213507.db2.gz LGHWZOTUMYNAPM-DGCLKSJQSA-N -1 1 380.412 1.092 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1COc2ccccc21 ZINC001575153811 952213511 /nfs/dbraw/zinc/21/35/11/952213511.db2.gz LGHWZOTUMYNAPM-DGCLKSJQSA-N -1 1 380.412 1.092 20 0 GDADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)c1sccc1F)C1CC1 ZINC001575154007 952214755 /nfs/dbraw/zinc/21/47/55/952214755.db2.gz NLNKQGNPSXEZGV-MRXNPFEDSA-N -1 1 388.432 1.868 20 0 GDADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)c1sccc1F)C1CC1 ZINC001575154007 952214764 /nfs/dbraw/zinc/21/47/64/952214764.db2.gz NLNKQGNPSXEZGV-MRXNPFEDSA-N -1 1 388.432 1.868 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)Cc1cccc(F)c1F ZINC001575153991 952215238 /nfs/dbraw/zinc/21/52/38/952215238.db2.gz NCHALRHJHMYKNN-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)Cc1cccc(F)c1F ZINC001575153991 952215242 /nfs/dbraw/zinc/21/52/42/952215242.db2.gz NCHALRHJHMYKNN-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)C1(c2ccccc2)CC1 ZINC001575154478 952223686 /nfs/dbraw/zinc/22/36/86/952223686.db2.gz DZYNOXKWKQJCNR-CYBMUJFWSA-N -1 1 378.440 1.647 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)C1(c2ccccc2)CC1 ZINC001575154478 952223694 /nfs/dbraw/zinc/22/36/94/952223694.db2.gz DZYNOXKWKQJCNR-CYBMUJFWSA-N -1 1 378.440 1.647 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cccnc1C(F)F ZINC001575154621 952227697 /nfs/dbraw/zinc/22/76/97/952227697.db2.gz FZCVKGGHDUZUHW-SECBINFHSA-N -1 1 389.370 1.562 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cccnc1C(F)F ZINC001575154621 952227705 /nfs/dbraw/zinc/22/77/05/952227705.db2.gz FZCVKGGHDUZUHW-SECBINFHSA-N -1 1 389.370 1.562 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)CN(C)c1ccccc1 ZINC001575155158 952235654 /nfs/dbraw/zinc/23/56/54/952235654.db2.gz WUFOCPWATSNBQZ-ZDUSSCGKSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)CN(C)c1ccccc1 ZINC001575155158 952235661 /nfs/dbraw/zinc/23/56/61/952235661.db2.gz WUFOCPWATSNBQZ-ZDUSSCGKSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H]1Cc2ccc(F)cc21 ZINC001575155480 952240627 /nfs/dbraw/zinc/24/06/27/952240627.db2.gz ZHTDPTKDUWYMRT-YGRLFVJLSA-N -1 1 382.403 1.395 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H]1Cc2ccc(F)cc21 ZINC001575155480 952240635 /nfs/dbraw/zinc/24/06/35/952240635.db2.gz ZHTDPTKDUWYMRT-YGRLFVJLSA-N -1 1 382.403 1.395 20 0 GDADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)CC[C@@H]1CCOC1)C1CC1 ZINC001575155906 952246255 /nfs/dbraw/zinc/24/62/55/952246255.db2.gz POMDKPHGWNSPEX-KZULUSFZSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)CC[C@@H]1CCOC1)C1CC1 ZINC001575155906 952246260 /nfs/dbraw/zinc/24/62/60/952246260.db2.gz POMDKPHGWNSPEX-KZULUSFZSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1ccnn1C1CCC1 ZINC001575159279 952276824 /nfs/dbraw/zinc/27/68/24/952276824.db2.gz ZJSVOSYRAFNGAK-NSHDSACASA-N -1 1 382.432 1.151 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccnn1C1CCC1 ZINC001575159279 952276835 /nfs/dbraw/zinc/27/68/35/952276835.db2.gz ZJSVOSYRAFNGAK-NSHDSACASA-N -1 1 382.432 1.151 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)C[C@H]1CCC(C)(C)CO1 ZINC001575174142 952365378 /nfs/dbraw/zinc/36/53/78/952365378.db2.gz HXPGBIJIQAXPLO-CHWSQXEVSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)C[C@H]1CCC(C)(C)CO1 ZINC001575174142 952365386 /nfs/dbraw/zinc/36/53/86/952365386.db2.gz HXPGBIJIQAXPLO-CHWSQXEVSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)C=Cc1ccco1)C1CC1 ZINC001575174220 952367525 /nfs/dbraw/zinc/36/75/25/952367525.db2.gz JWJFFPYVICFAPT-DKFQHHCZSA-N -1 1 380.412 1.660 20 0 GDADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)C=Cc1ccco1)C1CC1 ZINC001575174220 952367532 /nfs/dbraw/zinc/36/75/32/952367532.db2.gz JWJFFPYVICFAPT-DKFQHHCZSA-N -1 1 380.412 1.660 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)CCc1ccccc1F ZINC001575174414 952370827 /nfs/dbraw/zinc/37/08/27/952370827.db2.gz NTXQUTRZKLGOJM-GFCCVEGCSA-N -1 1 384.419 1.687 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)CCc1ccccc1F ZINC001575174414 952370832 /nfs/dbraw/zinc/37/08/32/952370832.db2.gz NTXQUTRZKLGOJM-GFCCVEGCSA-N -1 1 384.419 1.687 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCCOC1 ZINC001575177108 952397386 /nfs/dbraw/zinc/39/73/86/952397386.db2.gz GSHVVOWWLKHEAV-DTWKUNHWSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCCOC1 ZINC001575177108 952397395 /nfs/dbraw/zinc/39/73/95/952397395.db2.gz GSHVVOWWLKHEAV-DTWKUNHWSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)Cc1cc(F)ccc1F ZINC001575178822 952408812 /nfs/dbraw/zinc/40/88/12/952408812.db2.gz NVATWMYBAGBZMU-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)Cc1cc(F)ccc1F ZINC001575178822 952408817 /nfs/dbraw/zinc/40/88/17/952408817.db2.gz NVATWMYBAGBZMU-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ncoc1C(C)(C)C ZINC001575179702 952414781 /nfs/dbraw/zinc/41/47/81/952414781.db2.gz QUFGWLNIABEDIV-JTQLQIEISA-N -1 1 385.432 1.515 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ncoc1C(C)(C)C ZINC001575179702 952414784 /nfs/dbraw/zinc/41/47/84/952414784.db2.gz QUFGWLNIABEDIV-JTQLQIEISA-N -1 1 385.432 1.515 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)COc1ccc(F)cc1 ZINC001575180104 952416107 /nfs/dbraw/zinc/41/61/07/952416107.db2.gz RPKQPLHFIBSVJG-NSHDSACASA-N -1 1 386.391 1.134 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)COc1ccc(F)cc1 ZINC001575180104 952416120 /nfs/dbraw/zinc/41/61/20/952416120.db2.gz RPKQPLHFIBSVJG-NSHDSACASA-N -1 1 386.391 1.134 20 0 GDADMM CS(=O)(=O)c1cccc(CNC(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC001571114478 952455993 /nfs/dbraw/zinc/45/59/93/952455993.db2.gz ISBPIQVEKNBHLA-UHFFFAOYSA-N -1 1 375.385 1.339 20 0 GDADMM CS(=O)(=O)c1cccc(CNC(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC001571114478 952455999 /nfs/dbraw/zinc/45/59/99/952455999.db2.gz ISBPIQVEKNBHLA-UHFFFAOYSA-N -1 1 375.385 1.339 20 0 GDADMM C[C@@H](Cc1ccccc1F)C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001575189469 952457975 /nfs/dbraw/zinc/45/79/75/952457975.db2.gz PKCQJYOUSORABX-LBPRGKRZSA-N -1 1 384.419 1.545 20 0 GDADMM C[C@@H](Cc1ccccc1F)C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001575189469 952457978 /nfs/dbraw/zinc/45/79/78/952457978.db2.gz PKCQJYOUSORABX-LBPRGKRZSA-N -1 1 384.419 1.545 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001575197346 952483622 /nfs/dbraw/zinc/48/36/22/952483622.db2.gz UNMFLNXIJRNWIN-YRGRVCCFSA-N -1 1 382.428 1.069 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001575197346 952483631 /nfs/dbraw/zinc/48/36/31/952483631.db2.gz UNMFLNXIJRNWIN-YRGRVCCFSA-N -1 1 382.428 1.069 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575197407 952484480 /nfs/dbraw/zinc/48/44/80/952484480.db2.gz VMRANBWIVIEDSH-QWHCGFSZSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575197407 952484481 /nfs/dbraw/zinc/48/44/81/952484481.db2.gz VMRANBWIVIEDSH-QWHCGFSZSA-N -1 1 382.428 1.214 20 0 GDADMM CC(C)COC[C@@H](O)CNC(=O)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001571120217 952499893 /nfs/dbraw/zinc/49/98/93/952499893.db2.gz JMRWUCQSUYCWOM-ZETCQYMHSA-N -1 1 375.842 1.132 20 0 GDADMM Cc1nsc(N[C@@H]2CCN(C(=O)c3cncs3)[C@@H]2C)c1-c1nn[n-]n1 ZINC001571121900 952521597 /nfs/dbraw/zinc/52/15/97/952521597.db2.gz DLAWRCWPVWGTIC-RKDXNWHRSA-N -1 1 376.471 1.803 20 0 GDADMM O=C(N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cc(Cl)cs1 ZINC001571121913 952522224 /nfs/dbraw/zinc/52/22/24/952522224.db2.gz DWISARFQXIIEDR-VIFPVBQESA-N -1 1 376.833 1.380 20 0 GDADMM O=C(N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cc(Cl)cs1 ZINC001571121913 952522231 /nfs/dbraw/zinc/52/22/31/952522231.db2.gz DWISARFQXIIEDR-VIFPVBQESA-N -1 1 376.833 1.380 20 0 GDADMM CS[C@H](C)C(=O)N1CCCCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571122347 952525215 /nfs/dbraw/zinc/52/52/15/952525215.db2.gz IUWRHLIQOTWEBT-NEPJUHHUSA-N -1 1 376.490 1.591 20 0 GDADMM CS[C@H](C)C(=O)N1CCCCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571122347 952525220 /nfs/dbraw/zinc/52/52/20/952525220.db2.gz IUWRHLIQOTWEBT-NEPJUHHUSA-N -1 1 376.490 1.591 20 0 GDADMM CN(C)[C@H](CCNC(=O)NCc1ccc(-c2nn[n-]n2)s1)C(F)(F)F ZINC001571124435 952538879 /nfs/dbraw/zinc/53/88/79/952538879.db2.gz IWRAOHCBGBPIKA-SNVBAGLBSA-N -1 1 377.396 1.610 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001575214563 952565396 /nfs/dbraw/zinc/56/53/96/952565396.db2.gz MIXWYIOJWXLGOW-JTQLQIEISA-N -1 1 380.403 1.645 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001575214563 952565399 /nfs/dbraw/zinc/56/53/99/952565399.db2.gz MIXWYIOJWXLGOW-JTQLQIEISA-N -1 1 380.403 1.645 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001575214565 952565554 /nfs/dbraw/zinc/56/55/54/952565554.db2.gz MIXWYIOJWXLGOW-SNVBAGLBSA-N -1 1 380.403 1.645 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001575214565 952565559 /nfs/dbraw/zinc/56/55/59/952565559.db2.gz MIXWYIOJWXLGOW-SNVBAGLBSA-N -1 1 380.403 1.645 20 0 GDADMM Cc1nsc(N2CC[C@@H](NC(=O)C[C@H]3CCCCO3)C2)c1-c1nn[n-]n1 ZINC001571128663 952569869 /nfs/dbraw/zinc/56/98/69/952569869.db2.gz WFOKMJSBVRTQOE-VXGBXAGGSA-N -1 1 377.474 1.286 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@H](Nc2nccnc2-c2nnn[n-]2)C2CC2)CC1 ZINC001575221642 952570643 /nfs/dbraw/zinc/57/06/43/952570643.db2.gz AKAHLWUDUKPKJH-JTQLQIEISA-N -1 1 378.387 1.399 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@H](Nc2nccnc2-c2nn[n-]n2)C2CC2)CC1 ZINC001575221642 952570648 /nfs/dbraw/zinc/57/06/48/952570648.db2.gz AKAHLWUDUKPKJH-JTQLQIEISA-N -1 1 378.387 1.399 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1NC(=O)C1(C)CC(F)(F)C1 ZINC001571129199 952573103 /nfs/dbraw/zinc/57/31/03/952573103.db2.gz AYMKLXYBLMIDQX-NXEZZACHSA-N -1 1 378.387 1.033 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1NC(=O)C1(C)CC(F)(F)C1 ZINC001571129199 952573110 /nfs/dbraw/zinc/57/31/10/952573110.db2.gz AYMKLXYBLMIDQX-NXEZZACHSA-N -1 1 378.387 1.033 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001571129207 952573358 /nfs/dbraw/zinc/57/33/58/952573358.db2.gz AYXHOZSWBAYRPJ-JTQLQIEISA-N -1 1 378.387 1.495 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001571129207 952573360 /nfs/dbraw/zinc/57/33/60/952573360.db2.gz AYXHOZSWBAYRPJ-JTQLQIEISA-N -1 1 378.387 1.495 20 0 GDADMM CC1(C)CN(c2ccc(-c3nnn[n-]3)nn2)CC[C@@H]1NC(=O)[C@@H]1CC1(F)F ZINC001571130172 952578701 /nfs/dbraw/zinc/57/87/01/952578701.db2.gz PCNVFWXMHQBKLG-ONGXEEELSA-N -1 1 378.387 1.033 20 0 GDADMM CC1(C)CN(c2ccc(-c3nn[n-]n3)nn2)CC[C@@H]1NC(=O)[C@@H]1CC1(F)F ZINC001571130172 952578705 /nfs/dbraw/zinc/57/87/05/952578705.db2.gz PCNVFWXMHQBKLG-ONGXEEELSA-N -1 1 378.387 1.033 20 0 GDADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(N2CCNC2=O)cc1 ZINC001571130463 952579881 /nfs/dbraw/zinc/57/98/81/952579881.db2.gz RFJCZEIXLXSYTM-LLVKDONJSA-N -1 1 378.396 1.282 20 0 GDADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(N2CCNC2=O)cc1 ZINC001571130463 952579888 /nfs/dbraw/zinc/57/98/88/952579888.db2.gz RFJCZEIXLXSYTM-LLVKDONJSA-N -1 1 378.396 1.282 20 0 GDADMM Cc1ccc(CC(=O)N2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C[C@@H]2C)cc1 ZINC001571134084 952584751 /nfs/dbraw/zinc/58/47/51/952584751.db2.gz DFIZPOAYJOIXAY-ZFWWWQNUSA-N -1 1 378.440 1.609 20 0 GDADMM Cc1ccc(CC(=O)N2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C[C@@H]2C)cc1 ZINC001571134084 952584756 /nfs/dbraw/zinc/58/47/56/952584756.db2.gz DFIZPOAYJOIXAY-ZFWWWQNUSA-N -1 1 378.440 1.609 20 0 GDADMM Cc1ccc(C(=O)NCC2CC(Nc3ccc(-c4nnn[n-]4)nn3)C2)cc1C ZINC001571134031 952585118 /nfs/dbraw/zinc/58/51/18/952585118.db2.gz BTVGMKMKQOTGEP-UHFFFAOYSA-N -1 1 378.440 1.894 20 0 GDADMM Cc1ccc(C(=O)NCC2CC(Nc3ccc(-c4nn[n-]n4)nn3)C2)cc1C ZINC001571134031 952585122 /nfs/dbraw/zinc/58/51/22/952585122.db2.gz BTVGMKMKQOTGEP-UHFFFAOYSA-N -1 1 378.440 1.894 20 0 GDADMM Cc1ccccc1C(=O)N1CCC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001571134491 952590431 /nfs/dbraw/zinc/59/04/31/952590431.db2.gz IZDJDYCPAPTTKL-CQSZACIVSA-N -1 1 378.440 1.706 20 0 GDADMM Cc1ccccc1C(=O)N1CCC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001571134491 952590437 /nfs/dbraw/zinc/59/04/37/952590437.db2.gz IZDJDYCPAPTTKL-CQSZACIVSA-N -1 1 378.440 1.706 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)c3ccccc3C)[C@H]2C)n1 ZINC001571134727 952593785 /nfs/dbraw/zinc/59/37/85/952593785.db2.gz KQQLBDUHCQBYFY-HIFRSBDPSA-N -1 1 378.440 1.671 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)c3ccccc3C)[C@H]2C)n1 ZINC001571134727 952593790 /nfs/dbraw/zinc/59/37/90/952593790.db2.gz KQQLBDUHCQBYFY-HIFRSBDPSA-N -1 1 378.440 1.671 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@H]2CCCN2C(=O)c2ccccc2)n1 ZINC001571134730 952594310 /nfs/dbraw/zinc/59/43/10/952594310.db2.gz KRAPCVIDEPYRNT-OAHLLOKOSA-N -1 1 378.440 1.706 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@H]2CCCN2C(=O)c2ccccc2)n1 ZINC001571134730 952594313 /nfs/dbraw/zinc/59/43/13/952594313.db2.gz KRAPCVIDEPYRNT-OAHLLOKOSA-N -1 1 378.440 1.706 20 0 GDADMM C[C@@H](C(=O)N(C)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001571134744 952595200 /nfs/dbraw/zinc/59/52/00/952595200.db2.gz KWEKKTZAPSVETK-UKRRQHHQSA-N -1 1 378.440 1.498 20 0 GDADMM C[C@@H](C(=O)N(C)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001571134744 952595208 /nfs/dbraw/zinc/59/52/08/952595208.db2.gz KWEKKTZAPSVETK-UKRRQHHQSA-N -1 1 378.440 1.498 20 0 GDADMM Cc1cccc(C(=O)N2CCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)c1C ZINC001571134792 952595389 /nfs/dbraw/zinc/59/53/89/952595389.db2.gz MVGVUVFESJFBPW-CQSZACIVSA-N -1 1 378.440 1.990 20 0 GDADMM Cc1cccc(C(=O)N2CCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)c1C ZINC001571134792 952595390 /nfs/dbraw/zinc/59/53/90/952595390.db2.gz MVGVUVFESJFBPW-CQSZACIVSA-N -1 1 378.440 1.990 20 0 GDADMM CCc1ccc(C(=O)N2CCC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)cc1 ZINC001571135196 952600516 /nfs/dbraw/zinc/60/05/16/952600516.db2.gz QXEVWEUUWKFOQV-HNNXBMFYSA-N -1 1 378.440 1.936 20 0 GDADMM CCc1ccc(C(=O)N2CCC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)cc1 ZINC001571135196 952600519 /nfs/dbraw/zinc/60/05/19/952600519.db2.gz QXEVWEUUWKFOQV-HNNXBMFYSA-N -1 1 378.440 1.936 20 0 GDADMM Cc1cccc(C)c1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001571135422 952603858 /nfs/dbraw/zinc/60/38/58/952603858.db2.gz XMGOXENEJIXLHB-ZIAGYGMSSA-N -1 1 378.440 1.528 20 0 GDADMM Cc1ncccc1CC(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571146241 952648251 /nfs/dbraw/zinc/64/82/51/952648251.db2.gz DVVHFUCSFZOGEN-CQSZACIVSA-N -1 1 379.428 1.006 20 0 GDADMM Cc1ncccc1CC(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571146241 952648253 /nfs/dbraw/zinc/64/82/53/952648253.db2.gz DVVHFUCSFZOGEN-CQSZACIVSA-N -1 1 379.428 1.006 20 0 GDADMM O=C(c1cc2c([nH]1)CCC2)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571146756 952652158 /nfs/dbraw/zinc/65/21/58/952652158.db2.gz MTFNSULKWNQEIQ-NSHDSACASA-N -1 1 379.428 1.048 20 0 GDADMM O=C(c1cc2c([nH]1)CCC2)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571146756 952652163 /nfs/dbraw/zinc/65/21/63/952652163.db2.gz MTFNSULKWNQEIQ-NSHDSACASA-N -1 1 379.428 1.048 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC(NC(=O)c3cccnc3)CC2)n1 ZINC001571146755 952652316 /nfs/dbraw/zinc/65/23/16/952652316.db2.gz BDEJQRRUUBQWOC-UHFFFAOYSA-N -1 1 379.428 1.013 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC(NC(=O)c3cccnc3)CC2)n1 ZINC001571146755 952652318 /nfs/dbraw/zinc/65/23/18/952652318.db2.gz BDEJQRRUUBQWOC-UHFFFAOYSA-N -1 1 379.428 1.013 20 0 GDADMM CC[C@H]1CN(C(=O)c2cccnc2)CC[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571147394 952660667 /nfs/dbraw/zinc/66/06/67/952660667.db2.gz LZJOJOYWAUASKX-JSGCOSHPSA-N -1 1 379.428 1.405 20 0 GDADMM CC[C@H]1CN(C(=O)c2cccnc2)CC[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571147394 952660670 /nfs/dbraw/zinc/66/06/70/952660670.db2.gz LZJOJOYWAUASKX-JSGCOSHPSA-N -1 1 379.428 1.405 20 0 GDADMM CC(C)c1ccc(C(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)nc1 ZINC001571147518 952662749 /nfs/dbraw/zinc/66/27/49/952662749.db2.gz MTPIIENFOHDLTF-CYBMUJFWSA-N -1 1 379.428 1.502 20 0 GDADMM CC(C)c1ccc(C(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)nc1 ZINC001571147518 952662753 /nfs/dbraw/zinc/66/27/53/952662753.db2.gz MTPIIENFOHDLTF-CYBMUJFWSA-N -1 1 379.428 1.502 20 0 GDADMM CCc1cncc(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)[C@@H]2C)c1 ZINC001571147812 952664314 /nfs/dbraw/zinc/66/43/14/952664314.db2.gz QNJAYCDXNWHLTG-FZMZJTMJSA-N -1 1 379.428 1.329 20 0 GDADMM CCc1cncc(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)[C@@H]2C)c1 ZINC001571147812 952664315 /nfs/dbraw/zinc/66/43/15/952664315.db2.gz QNJAYCDXNWHLTG-FZMZJTMJSA-N -1 1 379.428 1.329 20 0 GDADMM CCc1cccc(C(=O)N[C@]2(C)CCN(c3nccnc3-c3nnn[n-]3)C2)n1 ZINC001571148276 952666640 /nfs/dbraw/zinc/66/66/40/952666640.db2.gz YAGOWAYOWPALCG-GOSISDBHSA-N -1 1 379.428 1.013 20 0 GDADMM CCc1cccc(C(=O)N[C@]2(C)CCN(c3nccnc3-c3nn[n-]n3)C2)n1 ZINC001571148276 952666645 /nfs/dbraw/zinc/66/66/45/952666645.db2.gz YAGOWAYOWPALCG-GOSISDBHSA-N -1 1 379.428 1.013 20 0 GDADMM O=C(N[C@@H]1CCCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1)c1ccn[nH]1 ZINC001571151997 952680609 /nfs/dbraw/zinc/68/06/09/952680609.db2.gz AUJVDKMVIXPLSE-SSDOTTSWSA-N -1 1 379.837 1.099 20 0 GDADMM O=C(N[C@@H]1CCCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1)c1ccn[nH]1 ZINC001571151997 952680613 /nfs/dbraw/zinc/68/06/13/952680613.db2.gz AUJVDKMVIXPLSE-SSDOTTSWSA-N -1 1 379.837 1.099 20 0 GDADMM O=C(NC1CC(CNc2nc(Cl)c(-c3nnn[n-]3)s2)C1)c1cn[nH]c1 ZINC001571152221 952682489 /nfs/dbraw/zinc/68/24/89/952682489.db2.gz FAGAUZNHUWPYQP-UHFFFAOYSA-N -1 1 379.837 1.320 20 0 GDADMM O=C(NC1CC(CNc2nc(Cl)c(-c3nn[n-]n3)s2)C1)c1cn[nH]c1 ZINC001571152221 952682491 /nfs/dbraw/zinc/68/24/91/952682491.db2.gz FAGAUZNHUWPYQP-UHFFFAOYSA-N -1 1 379.837 1.320 20 0 GDADMM C[C@@H]1CCN(C(=O)CC(C)(F)F)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571154981 952690395 /nfs/dbraw/zinc/69/03/95/952690395.db2.gz DBPLRRRDRUKMKB-MNOVXSKESA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H]1CCN(C(=O)CC(C)(F)F)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571154981 952690397 /nfs/dbraw/zinc/69/03/97/952690397.db2.gz DBPLRRRDRUKMKB-MNOVXSKESA-N -1 1 380.403 1.599 20 0 GDADMM CN(c1nccnc1-c1nnn[n-]1)[C@H]1CCCN(C(=O)C(C)(C)C(F)F)C1 ZINC001571155258 952694539 /nfs/dbraw/zinc/69/45/39/952694539.db2.gz LZBKIXKLAUJWPY-JTQLQIEISA-N -1 1 380.403 1.375 20 0 GDADMM CN(c1nccnc1-c1nn[n-]n1)[C@H]1CCCN(C(=O)C(C)(C)C(F)F)C1 ZINC001571155258 952694542 /nfs/dbraw/zinc/69/45/42/952694542.db2.gz LZBKIXKLAUJWPY-JTQLQIEISA-N -1 1 380.403 1.375 20 0 GDADMM CC1(C)CN(C(=O)c2ccccc2O)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571155246 952695073 /nfs/dbraw/zinc/69/50/73/952695073.db2.gz LOCMQTWCKYSIQP-ZDUSSCGKSA-N -1 1 380.412 1.325 20 0 GDADMM CC1(C)CN(C(=O)c2ccccc2O)C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571155246 952695075 /nfs/dbraw/zinc/69/50/75/952695075.db2.gz LOCMQTWCKYSIQP-ZDUSSCGKSA-N -1 1 380.412 1.325 20 0 GDADMM C[C@H](Nc1nccnc1-c1nnn[n-]1)[C@H]1CCN(C(=O)c2ccccc2O)C1 ZINC001571155694 952698699 /nfs/dbraw/zinc/69/86/99/952698699.db2.gz XVSULKRGURPDOK-RYUDHWBXSA-N -1 1 380.412 1.325 20 0 GDADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)[C@H]1CCN(C(=O)c2ccccc2O)C1 ZINC001571155694 952698701 /nfs/dbraw/zinc/69/87/01/952698701.db2.gz XVSULKRGURPDOK-RYUDHWBXSA-N -1 1 380.412 1.325 20 0 GDADMM CCOc1cccc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571155766 952700041 /nfs/dbraw/zinc/70/00/41/952700041.db2.gz ZOMLVLYMIRQERC-ZDUSSCGKSA-N -1 1 380.412 1.064 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CC[C@@H]2[C@@H](CCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001571156626 952702395 /nfs/dbraw/zinc/70/23/95/952702395.db2.gz FLFNSLGARZQIMG-QWHCGFSZSA-N -1 1 379.428 1.034 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CC[C@@H]2[C@@H](CCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001571156626 952702401 /nfs/dbraw/zinc/70/24/01/952702401.db2.gz FLFNSLGARZQIMG-QWHCGFSZSA-N -1 1 379.428 1.034 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CC[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001571157083 952706129 /nfs/dbraw/zinc/70/61/29/952706129.db2.gz MIXLUQWEUWAKEQ-JSGCOSHPSA-N -1 1 379.428 1.371 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CC[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001571157083 952706132 /nfs/dbraw/zinc/70/61/32/952706132.db2.gz MIXLUQWEUWAKEQ-JSGCOSHPSA-N -1 1 379.428 1.371 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)[C@@H](C)C2)cn1 ZINC001571157211 952707131 /nfs/dbraw/zinc/70/71/31/952707131.db2.gz NMSTZFHVXBKKCJ-FZMZJTMJSA-N -1 1 379.428 1.323 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)[C@@H](C)C2)cn1 ZINC001571157211 952707135 /nfs/dbraw/zinc/70/71/35/952707135.db2.gz NMSTZFHVXBKKCJ-FZMZJTMJSA-N -1 1 379.428 1.323 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H](CCNc3cncc(-c4nnn[n-]4)n3)C2)ccn1 ZINC001571158014 952709347 /nfs/dbraw/zinc/70/93/47/952709347.db2.gz PVUNQRIDMTXUON-CYBMUJFWSA-N -1 1 379.428 1.324 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H](CCNc3cncc(-c4nn[n-]n4)n3)C2)ccn1 ZINC001571158014 952709354 /nfs/dbraw/zinc/70/93/54/952709354.db2.gz PVUNQRIDMTXUON-CYBMUJFWSA-N -1 1 379.428 1.324 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCN3c3cnc(-c4nnn[n-]4)cn3)C2)o1 ZINC001571158729 952714629 /nfs/dbraw/zinc/71/46/29/952714629.db2.gz NMPVIKIUXNBIDM-TZMCWYRMSA-N -1 1 380.412 1.299 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCN3c3cnc(-c4nn[n-]n4)cn3)C2)o1 ZINC001571158729 952714634 /nfs/dbraw/zinc/71/46/34/952714634.db2.gz NMPVIKIUXNBIDM-TZMCWYRMSA-N -1 1 380.412 1.299 20 0 GDADMM COc1ccc(C(=O)N[C@]2(C)CCN(c3nccnc3-c3nnn[n-]3)C2)cc1 ZINC001571159010 952717374 /nfs/dbraw/zinc/71/73/74/952717374.db2.gz OZWCGOMJRYHUBV-GOSISDBHSA-N -1 1 380.412 1.064 20 0 GDADMM COc1ccc(C(=O)N[C@]2(C)CCN(c3nccnc3-c3nn[n-]n3)C2)cc1 ZINC001571159010 952717377 /nfs/dbraw/zinc/71/73/77/952717377.db2.gz OZWCGOMJRYHUBV-GOSISDBHSA-N -1 1 380.412 1.064 20 0 GDADMM Cc1cncc(C(=O)N2CCC(CNc3cncc(-c4nnn[n-]4)n3)CC2)c1 ZINC001571159725 952722272 /nfs/dbraw/zinc/72/22/72/952722272.db2.gz VWDNPMZRSRAJIU-UHFFFAOYSA-N -1 1 379.428 1.324 20 0 GDADMM Cc1cncc(C(=O)N2CCC(CNc3cncc(-c4nn[n-]n4)n3)CC2)c1 ZINC001571159725 952722275 /nfs/dbraw/zinc/72/22/75/952722275.db2.gz VWDNPMZRSRAJIU-UHFFFAOYSA-N -1 1 379.428 1.324 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)nc1C ZINC001571159750 952722304 /nfs/dbraw/zinc/72/23/04/952722304.db2.gz WFVDCEKHNXBKDA-ZDUSSCGKSA-N -1 1 379.428 1.067 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)nc1C ZINC001571159750 952722306 /nfs/dbraw/zinc/72/23/06/952722306.db2.gz WFVDCEKHNXBKDA-ZDUSSCGKSA-N -1 1 379.428 1.067 20 0 GDADMM Cc1ccncc1C(=O)N1CCC[C@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001571160374 952726241 /nfs/dbraw/zinc/72/62/41/952726241.db2.gz ZRVRHRWOTPLDPS-ZDUSSCGKSA-N -1 1 379.428 1.101 20 0 GDADMM Cc1ccncc1C(=O)N1CCC[C@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001571160374 952726244 /nfs/dbraw/zinc/72/62/44/952726244.db2.gz ZRVRHRWOTPLDPS-ZDUSSCGKSA-N -1 1 379.428 1.101 20 0 GDADMM C[C@]12CN(C(=O)[C@@H]3CC34CCC4)C[C@H]1CN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001571170887 952789364 /nfs/dbraw/zinc/78/93/64/952789364.db2.gz YQNVYPWEMIHLGS-VBHSOAQHSA-N -1 1 380.456 1.132 20 0 GDADMM Cc1ccncc1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571183351 952876538 /nfs/dbraw/zinc/87/65/38/952876538.db2.gz YCGBSIGPRTVLAC-CQSZACIVSA-N -1 1 381.415 1.714 20 0 GDADMM Cc1ccncc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571183351 952876541 /nfs/dbraw/zinc/87/65/41/952876541.db2.gz YCGBSIGPRTVLAC-CQSZACIVSA-N -1 1 381.415 1.714 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CCC[C@H](NC(=O)c3c[nH]cc3C)C2)n1 ZINC001571183479 952878945 /nfs/dbraw/zinc/87/89/45/952878945.db2.gz BFIQOTKCQJADHS-LBPRGKRZSA-N -1 1 381.444 1.254 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CCC[C@H](NC(=O)c3c[nH]cc3C)C2)n1 ZINC001571183479 952878949 /nfs/dbraw/zinc/87/89/49/952878949.db2.gz BFIQOTKCQJADHS-LBPRGKRZSA-N -1 1 381.444 1.254 20 0 GDADMM CCc1[nH]ccc1C(=O)N[C@H]1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571183658 952880678 /nfs/dbraw/zinc/88/06/78/952880678.db2.gz GZSHAMNJKBECCV-RISCZKNCSA-N -1 1 381.444 1.558 20 0 GDADMM CCc1[nH]ccc1C(=O)N[C@H]1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571183658 952880684 /nfs/dbraw/zinc/88/06/84/952880684.db2.gz GZSHAMNJKBECCV-RISCZKNCSA-N -1 1 381.444 1.558 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cc[nH]c2)[C@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001571183706 952882552 /nfs/dbraw/zinc/88/25/52/952882552.db2.gz HVTRRRNAEIOXAI-WFASDCNBSA-N -1 1 381.444 1.728 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cc[nH]c2)[C@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001571183706 952882559 /nfs/dbraw/zinc/88/25/59/952882559.db2.gz HVTRRRNAEIOXAI-WFASDCNBSA-N -1 1 381.444 1.728 20 0 GDADMM C[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCn1cccc1 ZINC001571184205 952889187 /nfs/dbraw/zinc/88/91/87/952889187.db2.gz SYRHOPMJRSPZRI-UONOGXRCSA-N -1 1 381.444 1.340 20 0 GDADMM C[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCn1cccc1 ZINC001571184205 952889191 /nfs/dbraw/zinc/88/91/91/952889191.db2.gz SYRHOPMJRSPZRI-UONOGXRCSA-N -1 1 381.444 1.340 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001571184188 952889686 /nfs/dbraw/zinc/88/96/86/952889686.db2.gz SUZDNLDOADTQGJ-KBPBESRZSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001571184188 952889693 /nfs/dbraw/zinc/88/96/93/952889693.db2.gz SUZDNLDOADTQGJ-KBPBESRZSA-N -1 1 381.444 1.370 20 0 GDADMM CCN(C(=O)c1cc(C)[nH]c1C)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571184186 952889727 /nfs/dbraw/zinc/88/97/27/952889727.db2.gz SUPJWCMADRCVLA-ZDUSSCGKSA-N -1 1 381.444 1.343 20 0 GDADMM CCN(C(=O)c1cc(C)[nH]c1C)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571184186 952889728 /nfs/dbraw/zinc/88/97/28/952889728.db2.gz SUPJWCMADRCVLA-ZDUSSCGKSA-N -1 1 381.444 1.343 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CCC[C@@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571185289 952900900 /nfs/dbraw/zinc/90/09/00/952900900.db2.gz KJUNEMHLHMAZCT-ZDUSSCGKSA-N -1 1 381.444 1.070 20 0 GDADMM C[C@H](NC(=O)c1ccn(C)c1)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571185454 952902075 /nfs/dbraw/zinc/90/20/75/952902075.db2.gz LTHMHLODRHNGAC-LBPRGKRZSA-N -1 1 381.444 1.030 20 0 GDADMM C[C@H](NC(=O)c1ccn(C)c1)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571185454 952902080 /nfs/dbraw/zinc/90/20/80/952902080.db2.gz LTHMHLODRHNGAC-LBPRGKRZSA-N -1 1 381.444 1.030 20 0 GDADMM Cc1c(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)ccn1C(C)C ZINC001571185410 952902348 /nfs/dbraw/zinc/90/23/48/952902348.db2.gz LEHRUCMMASFOQZ-ZDUSSCGKSA-N -1 1 381.444 1.356 20 0 GDADMM Cc1c(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)ccn1C(C)C ZINC001571185410 952902349 /nfs/dbraw/zinc/90/23/49/952902349.db2.gz LEHRUCMMASFOQZ-ZDUSSCGKSA-N -1 1 381.444 1.356 20 0 GDADMM Cc1c(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)ccn1C(C)C ZINC001571186129 952905361 /nfs/dbraw/zinc/90/53/61/952905361.db2.gz TUBUXQCKBPOPHC-ZDUSSCGKSA-N -1 1 381.444 1.356 20 0 GDADMM Cc1c(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)ccn1C(C)C ZINC001571186129 952905370 /nfs/dbraw/zinc/90/53/70/952905370.db2.gz TUBUXQCKBPOPHC-ZDUSSCGKSA-N -1 1 381.444 1.356 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CCCC[C@H]1[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001571186583 952907936 /nfs/dbraw/zinc/90/79/36/952907936.db2.gz XRUZEXHSIUYXGK-DOMZBBRYSA-N -1 1 381.444 1.789 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CCCC[C@H]1[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001571186583 952907939 /nfs/dbraw/zinc/90/79/39/952907939.db2.gz XRUZEXHSIUYXGK-DOMZBBRYSA-N -1 1 381.444 1.789 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)[C@@H]2C)[nH]1 ZINC001571188331 952913705 /nfs/dbraw/zinc/91/37/05/952913705.db2.gz IQQXZSJCKFTZSH-OLZOCXBDSA-N -1 1 381.444 1.389 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)[C@@H]2C)[nH]1 ZINC001571188331 952913709 /nfs/dbraw/zinc/91/37/09/952913709.db2.gz IQQXZSJCKFTZSH-OLZOCXBDSA-N -1 1 381.444 1.389 20 0 GDADMM Cc1cc(F)ccc1C(=O)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571195712 952977535 /nfs/dbraw/zinc/97/75/35/952977535.db2.gz DYBFPHUORGWAGQ-CYBMUJFWSA-N -1 1 382.403 1.821 20 0 GDADMM Cc1cc(F)ccc1C(=O)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571195712 952977542 /nfs/dbraw/zinc/97/75/42/952977542.db2.gz DYBFPHUORGWAGQ-CYBMUJFWSA-N -1 1 382.403 1.821 20 0 GDADMM Cc1cc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)cc(C)c1F ZINC001571197347 952988462 /nfs/dbraw/zinc/98/84/62/952988462.db2.gz XORJPEUAAQTPGF-JOCQHMNTSA-N -1 1 382.403 1.786 20 0 GDADMM Cc1cc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)cc(C)c1F ZINC001571197347 952988467 /nfs/dbraw/zinc/98/84/67/952988467.db2.gz XORJPEUAAQTPGF-JOCQHMNTSA-N -1 1 382.403 1.786 20 0 GDADMM Cc1c(F)cccc1C(=O)NCC1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571197350 952988812 /nfs/dbraw/zinc/98/88/12/952988812.db2.gz XRFOQXHGAKFJBY-UHFFFAOYSA-N -1 1 382.403 1.725 20 0 GDADMM Cc1c(F)cccc1C(=O)NCC1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571197350 952988816 /nfs/dbraw/zinc/98/88/16/952988816.db2.gz XRFOQXHGAKFJBY-UHFFFAOYSA-N -1 1 382.403 1.725 20 0 GDADMM CCc1occc1C(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571198566 952991408 /nfs/dbraw/zinc/99/14/08/952991408.db2.gz CTIRATNLHHMFGW-GFCCVEGCSA-N -1 1 382.428 1.919 20 0 GDADMM CCc1occc1C(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571198566 952991421 /nfs/dbraw/zinc/99/14/21/952991421.db2.gz CTIRATNLHHMFGW-GFCCVEGCSA-N -1 1 382.428 1.919 20 0 GDADMM CCN(CC1CCN(C(=O)c2ccco2)CC1)c1nccnc1-c1nnn[n-]1 ZINC001571199279 952999778 /nfs/dbraw/zinc/99/97/78/952999778.db2.gz OYNBZFYZKPFRAB-UHFFFAOYSA-N -1 1 382.428 1.628 20 0 GDADMM CCN(CC1CCN(C(=O)c2ccco2)CC1)c1nccnc1-c1nn[n-]n1 ZINC001571199279 952999781 /nfs/dbraw/zinc/99/97/81/952999781.db2.gz OYNBZFYZKPFRAB-UHFFFAOYSA-N -1 1 382.428 1.628 20 0 GDADMM Cc1ccc(C(=O)N[C@@H](C)C2CCN(c3nccnc3-c3nnn[n-]3)CC2)o1 ZINC001571200174 953007844 /nfs/dbraw/zinc/00/78/44/953007844.db2.gz BJOJOQBJJRXQIR-LBPRGKRZSA-N -1 1 382.428 1.593 20 0 GDADMM Cc1ccc(C(=O)N[C@@H](C)C2CCN(c3nccnc3-c3nn[n-]n3)CC2)o1 ZINC001571200174 953007845 /nfs/dbraw/zinc/00/78/45/953007845.db2.gz BJOJOQBJJRXQIR-LBPRGKRZSA-N -1 1 382.428 1.593 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H](C)[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)o1 ZINC001571200551 953009920 /nfs/dbraw/zinc/00/99/20/953009920.db2.gz DKSRGKBMOITERW-DGCLKSJQSA-N -1 1 382.428 1.768 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@@H](C)[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)o1 ZINC001571200551 953009927 /nfs/dbraw/zinc/00/99/27/953009927.db2.gz DKSRGKBMOITERW-DGCLKSJQSA-N -1 1 382.428 1.768 20 0 GDADMM Cc1coc(C(=O)N[C@H]2CC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)CC2)c1 ZINC001571200581 953010849 /nfs/dbraw/zinc/01/08/49/953010849.db2.gz FCLDOBQYMSFCNT-JOCQHMNTSA-N -1 1 382.428 1.959 20 0 GDADMM Cc1coc(C(=O)N[C@H]2CC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)CC2)c1 ZINC001571200581 953010853 /nfs/dbraw/zinc/01/08/53/953010853.db2.gz FCLDOBQYMSFCNT-JOCQHMNTSA-N -1 1 382.428 1.959 20 0 GDADMM Cc1cocc1C(=O)N[C@H](C)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571200760 953011832 /nfs/dbraw/zinc/01/18/32/953011832.db2.gz FWGZPVWZJLASGX-CHWSQXEVSA-N -1 1 382.428 1.593 20 0 GDADMM Cc1cocc1C(=O)N[C@H](C)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571200760 953011834 /nfs/dbraw/zinc/01/18/34/953011834.db2.gz FWGZPVWZJLASGX-CHWSQXEVSA-N -1 1 382.428 1.593 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)[C@@H](C)C2)o1 ZINC001571200870 953013206 /nfs/dbraw/zinc/01/32/06/953013206.db2.gz HCQSRCSBIJQKJN-SMDDNHRTSA-N -1 1 382.428 1.450 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)[C@@H](C)C2)o1 ZINC001571200870 953013207 /nfs/dbraw/zinc/01/32/07/953013207.db2.gz HCQSRCSBIJQKJN-SMDDNHRTSA-N -1 1 382.428 1.450 20 0 GDADMM CC1(C)C[C@@H](NC(=O)c2ccco2)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571201500 953018971 /nfs/dbraw/zinc/01/89/71/953018971.db2.gz QRAHQQYZUYCVMN-LBPRGKRZSA-N -1 1 382.428 1.675 20 0 GDADMM CC1(C)C[C@@H](NC(=O)c2ccco2)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571201500 953018976 /nfs/dbraw/zinc/01/89/76/953018976.db2.gz QRAHQQYZUYCVMN-LBPRGKRZSA-N -1 1 382.428 1.675 20 0 GDADMM Cc1ccc(CC(=O)N[C@H]2CC[C@H](Nc3nccnc3-c3nnn[n-]3)CC2)o1 ZINC001571202015 953022260 /nfs/dbraw/zinc/02/22/60/953022260.db2.gz QBSKGXCGCMQQSM-JOCQHMNTSA-N -1 1 382.428 1.640 20 0 GDADMM Cc1ccc(CC(=O)N[C@H]2CC[C@H](Nc3nccnc3-c3nn[n-]n3)CC2)o1 ZINC001571202015 953022267 /nfs/dbraw/zinc/02/22/67/953022267.db2.gz QBSKGXCGCMQQSM-JOCQHMNTSA-N -1 1 382.428 1.640 20 0 GDADMM Cc1ccoc1CC(=O)N1CCC(C)(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571202745 953027487 /nfs/dbraw/zinc/02/74/87/953027487.db2.gz XZKGMIYHTOQVEE-UHFFFAOYSA-N -1 1 382.428 1.594 20 0 GDADMM Cc1ccoc1CC(=O)N1CCC(C)(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571202745 953027491 /nfs/dbraw/zinc/02/74/91/953027491.db2.gz XZKGMIYHTOQVEE-UHFFFAOYSA-N -1 1 382.428 1.594 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)[C@H]2C)o1 ZINC001571202773 953029371 /nfs/dbraw/zinc/02/93/71/953029371.db2.gz YOBZBENPZBARKQ-QWHCGFSZSA-N -1 1 382.428 1.654 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)[C@H]2C)o1 ZINC001571202773 953029375 /nfs/dbraw/zinc/02/93/75/953029375.db2.gz YOBZBENPZBARKQ-QWHCGFSZSA-N -1 1 382.428 1.654 20 0 GDADMM CCCc1n[nH]cc1C(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571204884 953033455 /nfs/dbraw/zinc/03/34/55/953033455.db2.gz DTNXJUJQIKTWRQ-LLVKDONJSA-N -1 1 382.432 1.049 20 0 GDADMM CCCc1n[nH]cc1C(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571204884 953033463 /nfs/dbraw/zinc/03/34/63/953033463.db2.gz DTNXJUJQIKTWRQ-LLVKDONJSA-N -1 1 382.432 1.049 20 0 GDADMM CC(C)n1nccc1C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571205466 953038977 /nfs/dbraw/zinc/03/89/77/953038977.db2.gz JLWPZILHZBAZQE-DGCLKSJQSA-N -1 1 382.432 1.007 20 0 GDADMM CC(C)n1nccc1C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571205466 953038978 /nfs/dbraw/zinc/03/89/78/953038978.db2.gz JLWPZILHZBAZQE-DGCLKSJQSA-N -1 1 382.432 1.007 20 0 GDADMM CC[C@@H](C)n1nccc1C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571205685 953041201 /nfs/dbraw/zinc/04/12/01/953041201.db2.gz MXGJVXDXHKPCEA-VXGBXAGGSA-N -1 1 382.432 1.151 20 0 GDADMM CC[C@@H](C)n1nccc1C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571205685 953041205 /nfs/dbraw/zinc/04/12/05/953041205.db2.gz MXGJVXDXHKPCEA-VXGBXAGGSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)(C)c1nc(CN2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)[O-])n[nH]1 ZINC001602925777 971891274 /nfs/dbraw/zinc/89/12/74/971891274.db2.gz WPQKEYHDLBQQFM-WCBMZHEXSA-N -1 1 377.367 1.198 20 0 GDADMM CCc1ccc(C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)s1 ZINC001571210408 953072016 /nfs/dbraw/zinc/07/20/16/953072016.db2.gz QVXNKADWRRAXHK-HBYGRHMLSA-N -1 1 382.453 1.145 20 0 GDADMM CCc1ccc(C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)s1 ZINC001571210408 953072022 /nfs/dbraw/zinc/07/20/22/953072022.db2.gz QVXNKADWRRAXHK-HBYGRHMLSA-N -1 1 382.453 1.145 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1sccc1C1CC1 ZINC001571210620 953073225 /nfs/dbraw/zinc/07/32/25/953073225.db2.gz UQUNLAIDBXUDTF-PHIMTYICSA-N -1 1 382.453 1.969 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1sccc1C1CC1 ZINC001571210620 953073230 /nfs/dbraw/zinc/07/32/30/953073230.db2.gz UQUNLAIDBXUDTF-PHIMTYICSA-N -1 1 382.453 1.969 20 0 GDADMM CC1(C(=O)N2C[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]3C2)CCCCC1 ZINC001571211530 953077427 /nfs/dbraw/zinc/07/74/27/953077427.db2.gz AQZPYOIVYVXDDA-OKILXGFUSA-N -1 1 382.472 1.522 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCCN(C(=O)C3(C4CC4)CC3)C2)n1 ZINC001571211757 953080290 /nfs/dbraw/zinc/08/02/90/953080290.db2.gz FFZPENRVEHIXNV-ZDUSSCGKSA-N -1 1 382.472 1.806 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCCN(C(=O)C3(C4CC4)CC3)C2)n1 ZINC001571211757 953080291 /nfs/dbraw/zinc/08/02/91/953080291.db2.gz FFZPENRVEHIXNV-ZDUSSCGKSA-N -1 1 382.472 1.806 20 0 GDADMM CC1(C(=O)N2CC[C@@]3(C2)CCCN(c2nccnc2-c2nnn[n-]2)C3)CCC1 ZINC001571212029 953082726 /nfs/dbraw/zinc/08/27/26/953082726.db2.gz HNUAWIPGRKMUNU-IBGZPJMESA-N -1 1 382.472 1.666 20 0 GDADMM CC1(C(=O)N2CC[C@@]3(C2)CCCN(c2nccnc2-c2nn[n-]n2)C3)CCC1 ZINC001571212029 953082730 /nfs/dbraw/zinc/08/27/30/953082730.db2.gz HNUAWIPGRKMUNU-IBGZPJMESA-N -1 1 382.472 1.666 20 0 GDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCN(C(=O)C2(C3CC3)CC2)C1 ZINC001571212049 953083908 /nfs/dbraw/zinc/08/39/08/953083908.db2.gz HXPSBHCWQGJJGU-OLZOCXBDSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCN(C(=O)C2(C3CC3)CC2)C1 ZINC001571212049 953083911 /nfs/dbraw/zinc/08/39/11/953083911.db2.gz HXPSBHCWQGJJGU-OLZOCXBDSA-N -1 1 382.472 1.886 20 0 GDADMM CC1CC(C(=O)N2CCC[C@]3(CCN(c4ccc(-c5nnn[n-]5)nn4)C3)C2)C1 ZINC001571212282 953086383 /nfs/dbraw/zinc/08/63/83/953086383.db2.gz KOVLZGLAMMECFP-SVGDTCPJSA-N -1 1 382.472 1.522 20 0 GDADMM CC1CC(C(=O)N2CCC[C@]3(CCN(c4ccc(-c5nn[n-]n5)nn4)C3)C2)C1 ZINC001571212282 953086385 /nfs/dbraw/zinc/08/63/85/953086385.db2.gz KOVLZGLAMMECFP-SVGDTCPJSA-N -1 1 382.472 1.522 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H]3CN(C(=O)CCC4CC4)CC[C@H]32)n1 ZINC001571212293 953087084 /nfs/dbraw/zinc/08/70/84/953087084.db2.gz KZCCLMFQGWYSAZ-GDBMZVCRSA-N -1 1 382.472 1.583 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H]3CN(C(=O)CCC4CC4)CC[C@H]32)n1 ZINC001571212293 953087087 /nfs/dbraw/zinc/08/70/87/953087087.db2.gz KZCCLMFQGWYSAZ-GDBMZVCRSA-N -1 1 382.472 1.583 20 0 GDADMM C[C@@H]1C[C@H]1C(=O)N1CCC(N(CC2CC2)c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571212438 953088303 /nfs/dbraw/zinc/08/83/03/953088303.db2.gz LQJADAOOMCYZRJ-IUODEOHRSA-N -1 1 382.472 1.520 20 0 GDADMM C[C@@H]1C[C@H]1C(=O)N1CCC(N(CC2CC2)c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571212438 953088307 /nfs/dbraw/zinc/08/83/07/953088307.db2.gz LQJADAOOMCYZRJ-IUODEOHRSA-N -1 1 382.472 1.520 20 0 GDADMM CN(C(=O)[C@@H]1CCCC12CC2)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571212468 953088424 /nfs/dbraw/zinc/08/84/24/953088424.db2.gz MFJHITWTWJOAGU-AWEZNQCLSA-N -1 1 382.472 1.664 20 0 GDADMM CN(C(=O)[C@@H]1CCCC12CC2)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571212468 953088428 /nfs/dbraw/zinc/08/84/28/953088428.db2.gz MFJHITWTWJOAGU-AWEZNQCLSA-N -1 1 382.472 1.664 20 0 GDADMM CC1(C)C(C(=O)N2CC[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)C1(C)C ZINC001571212497 953089288 /nfs/dbraw/zinc/08/92/88/953089288.db2.gz MOBITFPAEXTBPD-WCQYABFASA-N -1 1 382.472 1.376 20 0 GDADMM CC1(C)C(C(=O)N2CC[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]32)C1(C)C ZINC001571212497 953089292 /nfs/dbraw/zinc/08/92/92/953089292.db2.gz MOBITFPAEXTBPD-WCQYABFASA-N -1 1 382.472 1.376 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2CC3(CCC3)C2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571212960 953091397 /nfs/dbraw/zinc/09/13/97/953091397.db2.gz OMBQXRBZQRLFFM-GXTWGEPZSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H]1[C@H](NC(=O)C2CC3(CCC3)C2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571212960 953091400 /nfs/dbraw/zinc/09/14/00/953091400.db2.gz OMBQXRBZQRLFFM-GXTWGEPZSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H](NC(=O)[C@H]1C[C@H]2C[C@H]2C1)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571212874 953091836 /nfs/dbraw/zinc/09/18/36/953091836.db2.gz NSEOWERJQAWLTQ-XPABHHOTSA-N -1 1 382.472 1.424 20 0 GDADMM C[C@H](NC(=O)[C@H]1C[C@H]2C[C@H]2C1)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571212874 953091838 /nfs/dbraw/zinc/09/18/38/953091838.db2.gz NSEOWERJQAWLTQ-XPABHHOTSA-N -1 1 382.472 1.424 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NCC[C@@H]2CN(C(=O)[C@@H]3CC34CC4)C[C@H]2C)n1 ZINC001571214015 953098462 /nfs/dbraw/zinc/09/84/62/953098462.db2.gz VBVVVEWUZIYWHL-BNOWGMLFSA-N -1 1 382.472 1.662 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NCC[C@@H]2CN(C(=O)[C@@H]3CC34CC4)C[C@H]2C)n1 ZINC001571214015 953098465 /nfs/dbraw/zinc/09/84/65/953098465.db2.gz VBVVVEWUZIYWHL-BNOWGMLFSA-N -1 1 382.472 1.662 20 0 GDADMM C[C@H]1CCC[C@@H]1CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571214020 953098830 /nfs/dbraw/zinc/09/88/30/953098830.db2.gz VFYLAEJDXUQNMU-LJISPDSOSA-N -1 1 382.472 1.663 20 0 GDADMM CCCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001571214379 953101616 /nfs/dbraw/zinc/10/16/16/953101616.db2.gz XZEGVVPNYHOARJ-NHIYQJMISA-N -1 1 382.472 1.438 20 0 GDADMM CCCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001571214379 953101617 /nfs/dbraw/zinc/10/16/17/953101617.db2.gz XZEGVVPNYHOARJ-NHIYQJMISA-N -1 1 382.472 1.438 20 0 GDADMM C[C@H]1CN(C(=O)C23CCC(CC2)C3)CC[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571214463 953102584 /nfs/dbraw/zinc/10/25/84/953102584.db2.gz ZANXLVUFDJUOFW-PNBPBRNGSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@H]1CN(C(=O)C23CCC(CC2)C3)CC[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571214463 953102587 /nfs/dbraw/zinc/10/25/87/953102587.db2.gz ZANXLVUFDJUOFW-PNBPBRNGSA-N -1 1 382.472 1.886 20 0 GDADMM O=C(N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)C1(C2CCCCC2)CC1 ZINC001571216750 953103498 /nfs/dbraw/zinc/10/34/98/953103498.db2.gz AFSOYKFPOAZMBS-AWEZNQCLSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)C1(C2CCCCC2)CC1 ZINC001571216750 953103502 /nfs/dbraw/zinc/10/35/02/953103502.db2.gz AFSOYKFPOAZMBS-AWEZNQCLSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(C[C@@H]1C[C@H]1C1CC1)N1CCC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571217704 953110771 /nfs/dbraw/zinc/11/07/71/953110771.db2.gz IUFUBBGHEZDPSC-SNPRPXQTSA-N -1 1 382.472 1.743 20 0 GDADMM O=C(C[C@@H]1C[C@H]1C1CC1)N1CCC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571217704 953110775 /nfs/dbraw/zinc/11/07/75/953110775.db2.gz IUFUBBGHEZDPSC-SNPRPXQTSA-N -1 1 382.472 1.743 20 0 GDADMM O=C(c1ccncc1F)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571218603 953117113 /nfs/dbraw/zinc/11/71/13/953117113.db2.gz CDHLNZSMVIIUKG-NSHDSACASA-N -1 1 383.391 1.298 20 0 GDADMM O=C(c1ccncc1F)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571218603 953117116 /nfs/dbraw/zinc/11/71/16/953117116.db2.gz CDHLNZSMVIIUKG-NSHDSACASA-N -1 1 383.391 1.298 20 0 GDADMM COC(=O)Cc1cccc(NC(=O)Nc2cnc(OC)c(-c3nn[n-]n3)c2)c1 ZINC001571218838 953120120 /nfs/dbraw/zinc/12/01/20/953120120.db2.gz RWYCNWPMKDRURT-UHFFFAOYSA-N -1 1 383.368 1.630 20 0 GDADMM O=C(CCC1CCC1)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571218942 953120634 /nfs/dbraw/zinc/12/06/34/953120634.db2.gz SROLUWDXPRMINI-JKSUJKDBSA-N -1 1 382.472 1.807 20 0 GDADMM O=C(CCC1CCC1)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571218942 953120637 /nfs/dbraw/zinc/12/06/37/953120637.db2.gz SROLUWDXPRMINI-JKSUJKDBSA-N -1 1 382.472 1.807 20 0 GDADMM O=C([C@H]1CCCC2(CC2)C1)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571219091 953122873 /nfs/dbraw/zinc/12/28/73/953122873.db2.gz VBQYDVUSYNEMOV-KGLIPLIRSA-N -1 1 382.472 1.888 20 0 GDADMM O=C([C@H]1CCCC2(CC2)C1)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571219091 953122877 /nfs/dbraw/zinc/12/28/77/953122877.db2.gz VBQYDVUSYNEMOV-KGLIPLIRSA-N -1 1 382.472 1.888 20 0 GDADMM O=C(N[C@@H]1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)C1CC2(CCC2)C1 ZINC001571219360 953125268 /nfs/dbraw/zinc/12/52/68/953125268.db2.gz XUGQMTBFUZIKGR-TZMCWYRMSA-N -1 1 382.472 1.934 20 0 GDADMM O=C(N[C@@H]1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)C1CC2(CCC2)C1 ZINC001571219360 953125274 /nfs/dbraw/zinc/12/52/74/953125274.db2.gz XUGQMTBFUZIKGR-TZMCWYRMSA-N -1 1 382.472 1.934 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1ncccc1F ZINC001571219707 953126832 /nfs/dbraw/zinc/12/68/32/953126832.db2.gz QRGOGKXCQLGLPV-QWRGUYRKSA-N -1 1 383.391 1.201 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1ncccc1F ZINC001571219707 953126835 /nfs/dbraw/zinc/12/68/35/953126835.db2.gz QRGOGKXCQLGLPV-QWRGUYRKSA-N -1 1 383.391 1.201 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@H](CNC(=O)c3ccc(F)cn3)C2)n1 ZINC001571220126 953129962 /nfs/dbraw/zinc/12/99/62/953129962.db2.gz XPWRURZVAXHOTM-UMSPYCQHSA-N -1 1 383.391 1.120 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@H](CNC(=O)c3ccc(F)cn3)C2)n1 ZINC001571220126 953129964 /nfs/dbraw/zinc/12/99/64/953129964.db2.gz XPWRURZVAXHOTM-UMSPYCQHSA-N -1 1 383.391 1.120 20 0 GDADMM CCc1oncc1C(=O)N1CC[C@@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571222459 953135091 /nfs/dbraw/zinc/13/50/91/953135091.db2.gz GEWWGLWWXBJNEG-GHMZBOCLSA-N -1 1 383.416 1.170 20 0 GDADMM CCc1oncc1C(=O)N1CC[C@@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571222459 953135094 /nfs/dbraw/zinc/13/50/94/953135094.db2.gz GEWWGLWWXBJNEG-GHMZBOCLSA-N -1 1 383.416 1.170 20 0 GDADMM CCc1nc(C(=O)N2CCCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)co1 ZINC001571223141 953141424 /nfs/dbraw/zinc/14/14/24/953141424.db2.gz OHMOZPFRRVLIAG-LLVKDONJSA-N -1 1 383.416 1.314 20 0 GDADMM CCc1nc(C(=O)N2CCCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)co1 ZINC001571223141 953141431 /nfs/dbraw/zinc/14/14/31/953141431.db2.gz OHMOZPFRRVLIAG-LLVKDONJSA-N -1 1 383.416 1.314 20 0 GDADMM Cc1nc(C(=O)N2CCCC[C@H]2CNc2nccnc2-c2nnn[n-]2)c(C)o1 ZINC001571225236 953152908 /nfs/dbraw/zinc/15/29/08/953152908.db2.gz ITNUHUZBIZPPNF-LBPRGKRZSA-N -1 1 383.416 1.368 20 0 GDADMM Cc1nc(C(=O)N2CCCC[C@H]2CNc2nccnc2-c2nn[n-]n2)c(C)o1 ZINC001571225236 953152909 /nfs/dbraw/zinc/15/29/09/953152909.db2.gz ITNUHUZBIZPPNF-LBPRGKRZSA-N -1 1 383.416 1.368 20 0 GDADMM Cc1cc(C(=O)NC[C@H]2CC[C@@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)no1 ZINC001571225882 953154299 /nfs/dbraw/zinc/15/42/99/953154299.db2.gz NMBYGOKJLUAZIR-NWDGAFQWSA-N -1 1 383.416 1.272 20 0 GDADMM Cc1cc(C(=O)NC[C@H]2CC[C@@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)no1 ZINC001571225882 953154302 /nfs/dbraw/zinc/15/43/02/953154302.db2.gz NMBYGOKJLUAZIR-NWDGAFQWSA-N -1 1 383.416 1.272 20 0 GDADMM Cc1nc(C)c(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)[C@@H](C)C2)o1 ZINC001571226390 953155422 /nfs/dbraw/zinc/15/54/22/953155422.db2.gz PRKIKDCPSFFPPD-JOYOIKCWSA-N -1 1 383.416 1.049 20 0 GDADMM Cc1nc(C)c(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)[C@@H](C)C2)o1 ZINC001571226390 953155423 /nfs/dbraw/zinc/15/54/23/953155423.db2.gz PRKIKDCPSFFPPD-JOYOIKCWSA-N -1 1 383.416 1.049 20 0 GDADMM Cc1nc(C)c(C(=O)N(C)C2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)o1 ZINC001571226480 953156276 /nfs/dbraw/zinc/15/62/76/953156276.db2.gz RTMGZEALDSHCQQ-UHFFFAOYSA-N -1 1 383.416 1.003 20 0 GDADMM Cc1nc(C)c(C(=O)N(C)C2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)o1 ZINC001571226480 953156278 /nfs/dbraw/zinc/15/62/78/953156278.db2.gz RTMGZEALDSHCQQ-UHFFFAOYSA-N -1 1 383.416 1.003 20 0 GDADMM Cc1noc(C)c1[C@@H](C)C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571226911 953157486 /nfs/dbraw/zinc/15/74/86/953157486.db2.gz WUCSPXVQSVINHE-BXKDBHETSA-N -1 1 383.416 1.078 20 0 GDADMM Cc1noc(C)c1[C@@H](C)C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571226911 953157488 /nfs/dbraw/zinc/15/74/88/953157488.db2.gz WUCSPXVQSVINHE-BXKDBHETSA-N -1 1 383.416 1.078 20 0 GDADMM Cc1noc(C)c1C(=O)NC[C@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571227154 953158378 /nfs/dbraw/zinc/15/83/78/953158378.db2.gz ZXCUBHMRQWEFEW-GFCCVEGCSA-N -1 1 383.416 1.050 20 0 GDADMM Cc1noc(C)c1C(=O)NC[C@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571227154 953158379 /nfs/dbraw/zinc/15/83/79/953158379.db2.gz ZXCUBHMRQWEFEW-GFCCVEGCSA-N -1 1 383.416 1.050 20 0 GDADMM CN(C)S(=O)(=O)c1cc(NCc2nc(-c3nnn[n-]3)cs2)ccc1F ZINC001571230797 953180757 /nfs/dbraw/zinc/18/07/57/953180757.db2.gz KLAGFFMOIPGXCJ-UHFFFAOYSA-N -1 1 383.434 1.325 20 0 GDADMM CN(C)S(=O)(=O)c1cc(NCc2nc(-c3nn[n-]n3)cs2)ccc1F ZINC001571230797 953180759 /nfs/dbraw/zinc/18/07/59/953180759.db2.gz KLAGFFMOIPGXCJ-UHFFFAOYSA-N -1 1 383.434 1.325 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1cncc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001571235046 953208572 /nfs/dbraw/zinc/20/85/72/953208572.db2.gz QVYSJESKQRXKMH-ZJUUUORDSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1cncc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001571235046 953208577 /nfs/dbraw/zinc/20/85/77/953208577.db2.gz QVYSJESKQRXKMH-ZJUUUORDSA-N -1 1 384.366 1.282 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)CCN2C(=O)CCc3cc(F)ccc32)n1 ZINC001571236151 953216835 /nfs/dbraw/zinc/21/68/35/953216835.db2.gz SINXEJSVDQRSBU-UHFFFAOYSA-N -1 1 384.375 1.047 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)CCN2C(=O)CCc3cc(F)ccc32)n1 ZINC001571236151 953216837 /nfs/dbraw/zinc/21/68/37/953216837.db2.gz SINXEJSVDQRSBU-UHFFFAOYSA-N -1 1 384.375 1.047 20 0 GDADMM CC[C@@H]1OCC[C@H]1NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC001571242459 953257141 /nfs/dbraw/zinc/25/71/41/953257141.db2.gz GXLUNWWRGQQINA-CABCVRRESA-N -1 1 384.444 1.143 20 0 GDADMM CC[C@@H]1OCC[C@H]1NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC001571242459 953257143 /nfs/dbraw/zinc/25/71/43/953257143.db2.gz GXLUNWWRGQQINA-CABCVRRESA-N -1 1 384.444 1.143 20 0 GDADMM Cc1ccsc1C(=O)N1CC[C@@H]([C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571244639 953265924 /nfs/dbraw/zinc/26/59/24/953265924.db2.gz CUAFETGLQZAJQL-VXGBXAGGSA-N -1 1 384.469 1.989 20 0 GDADMM Cc1ccsc1C(=O)N1CC[C@@H]([C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571244639 953265925 /nfs/dbraw/zinc/26/59/25/953265925.db2.gz CUAFETGLQZAJQL-VXGBXAGGSA-N -1 1 384.469 1.989 20 0 GDADMM Cc1ccsc1C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC001571244905 953267981 /nfs/dbraw/zinc/26/79/81/953267981.db2.gz LRHNLUHQJBWAKU-VXGBXAGGSA-N -1 1 384.469 1.814 20 0 GDADMM Cc1ccsc1C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C ZINC001571244905 953267985 /nfs/dbraw/zinc/26/79/85/953267985.db2.gz LRHNLUHQJBWAKU-VXGBXAGGSA-N -1 1 384.469 1.814 20 0 GDADMM Cc1ccsc1C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC001571244902 953268573 /nfs/dbraw/zinc/26/85/73/953268573.db2.gz LRHNLUHQJBWAKU-NEPJUHHUSA-N -1 1 384.469 1.814 20 0 GDADMM Cc1ccsc1C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C ZINC001571244902 953268576 /nfs/dbraw/zinc/26/85/76/953268576.db2.gz LRHNLUHQJBWAKU-NEPJUHHUSA-N -1 1 384.469 1.814 20 0 GDADMM C[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)Cc1ccsc1 ZINC001571245113 953270450 /nfs/dbraw/zinc/27/04/50/953270450.db2.gz DMZMTIWPBFTHLX-WCQYABFASA-N -1 1 384.469 1.752 20 0 GDADMM C[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)Cc1ccsc1 ZINC001571245113 953270451 /nfs/dbraw/zinc/27/04/51/953270451.db2.gz DMZMTIWPBFTHLX-WCQYABFASA-N -1 1 384.469 1.752 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)[C@@H](C)c3cccs3)C2)n1 ZINC001571245271 953272579 /nfs/dbraw/zinc/27/25/79/953272579.db2.gz RCDFMRBNJKHRLA-RYUDHWBXSA-N -1 1 384.469 1.525 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)[C@@H](C)c3cccs3)C2)n1 ZINC001571245271 953272581 /nfs/dbraw/zinc/27/25/81/953272581.db2.gz RCDFMRBNJKHRLA-RYUDHWBXSA-N -1 1 384.469 1.525 20 0 GDADMM Cc1cc(C)c(C(=O)N2CC[C@@H](N(C)c3nccnc3-c3nnn[n-]3)C2)s1 ZINC001571245512 953274733 /nfs/dbraw/zinc/27/47/33/953274733.db2.gz TUYMLWLYCLOPRB-GFCCVEGCSA-N -1 1 384.469 1.686 20 0 GDADMM Cc1cc(C)c(C(=O)N2CC[C@@H](N(C)c3nccnc3-c3nn[n-]n3)C2)s1 ZINC001571245512 953274737 /nfs/dbraw/zinc/27/47/37/953274737.db2.gz TUYMLWLYCLOPRB-GFCCVEGCSA-N -1 1 384.469 1.686 20 0 GDADMM CCc1ccc(C(=O)N2CC[C@H](N(C)c3cnc(-c4nnn[n-]4)cn3)C2)s1 ZINC001571245597 953275010 /nfs/dbraw/zinc/27/50/10/953275010.db2.gz WGEXRDOUNHIHIV-NSHDSACASA-N -1 1 384.469 1.632 20 0 GDADMM CCc1ccc(C(=O)N2CC[C@H](N(C)c3cnc(-c4nn[n-]n4)cn3)C2)s1 ZINC001571245597 953275011 /nfs/dbraw/zinc/27/50/11/953275011.db2.gz WGEXRDOUNHIHIV-NSHDSACASA-N -1 1 384.469 1.632 20 0 GDADMM Cc1nsc(N2CC[C@@H](NC(=O)c3c[nH]cc3C3CC3)C2)c1-c1nn[n-]n1 ZINC001571247901 953287316 /nfs/dbraw/zinc/28/73/16/953287316.db2.gz HYCUPQDXYREIGF-LLVKDONJSA-N -1 1 384.469 1.846 20 0 GDADMM O=C(Cc1ccsc1)N[C@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571248748 953296998 /nfs/dbraw/zinc/29/69/98/953296998.db2.gz ZDKYBRNZKBETQF-AAEUAGOBSA-N -1 1 384.469 1.080 20 0 GDADMM CC1(C)C[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)CN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571250241 953309022 /nfs/dbraw/zinc/30/90/22/953309022.db2.gz OWDLCNDRJAMRKB-QWHCGFSZSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)CN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571250241 953309028 /nfs/dbraw/zinc/30/90/28/953309028.db2.gz OWDLCNDRJAMRKB-QWHCGFSZSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)CCC(C(=O)N2CC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571250791 953312843 /nfs/dbraw/zinc/31/28/43/953312843.db2.gz SJZMRGCMBBBTKO-CYBMUJFWSA-N -1 1 384.488 1.555 20 0 GDADMM CC(C)[C@@H](C)C(=O)N1C[C@@]2(C)CN(c3cncc(-c4nnn[n-]4)n3)C[C@@]2(C)C1 ZINC001571250999 953314531 /nfs/dbraw/zinc/31/45/31/953314531.db2.gz VAALZGITUPKOFW-ZNOIYHFQSA-N -1 1 384.488 1.624 20 0 GDADMM CC(C)[C@@H](C)C(=O)N1C[C@@]2(C)CN(c3cncc(-c4nn[n-]n4)n3)C[C@@]2(C)C1 ZINC001571250999 953314535 /nfs/dbraw/zinc/31/45/35/953314535.db2.gz VAALZGITUPKOFW-ZNOIYHFQSA-N -1 1 384.488 1.624 20 0 GDADMM CC(C)(C)C1CC(C(=O)N2CC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001571251583 953318276 /nfs/dbraw/zinc/31/82/76/953318276.db2.gz ZRGHZKVZVZSVDQ-HSBZDZAISA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)(C)C1CC(C(=O)N2CC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001571251583 953318282 /nfs/dbraw/zinc/31/82/82/953318282.db2.gz ZRGHZKVZVZSVDQ-HSBZDZAISA-N -1 1 384.488 1.989 20 0 GDADMM CN(C[C@@H]1CCCN1C(=O)CC1CC(C)(C)C1)c1nccnc1-c1nnn[n-]1 ZINC001571251992 953321349 /nfs/dbraw/zinc/32/13/49/953321349.db2.gz DSIBWIOPIDEHBX-AWEZNQCLSA-N -1 1 384.488 1.910 20 0 GDADMM CN(C[C@@H]1CCCN1C(=O)CC1CC(C)(C)C1)c1nccnc1-c1nn[n-]n1 ZINC001571251992 953321353 /nfs/dbraw/zinc/32/13/53/953321353.db2.gz DSIBWIOPIDEHBX-AWEZNQCLSA-N -1 1 384.488 1.910 20 0 GDADMM CCC[C@@H]1C[C@H]1C(=O)N1C[C@@H](C)[C@H](CCNc2nccnc2-c2nnn[n-]2)C1 ZINC001571251950 953321623 /nfs/dbraw/zinc/32/16/23/953321623.db2.gz CKZUDPPQKXFJFM-KBUPBQIOSA-N -1 1 384.488 1.989 20 0 GDADMM CCC[C@@H]1C[C@H]1C(=O)N1C[C@@H](C)[C@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001571251950 953321629 /nfs/dbraw/zinc/32/16/29/953321629.db2.gz CKZUDPPQKXFJFM-KBUPBQIOSA-N -1 1 384.488 1.989 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@@H]2CCN(C(=O)CC(C)(C)C3CC3)C2)n1 ZINC001571252069 953322623 /nfs/dbraw/zinc/32/26/23/953322623.db2.gz GOCZCFYEHJLTJJ-CQSZACIVSA-N -1 1 384.488 1.829 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@@H]2CCN(C(=O)CC(C)(C)C3CC3)C2)n1 ZINC001571252069 953322630 /nfs/dbraw/zinc/32/26/30/953322630.db2.gz GOCZCFYEHJLTJJ-CQSZACIVSA-N -1 1 384.488 1.829 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2C[C@H](NC(=O)CC3CCC3)C(C)(C)C2)n1 ZINC001571252337 953327555 /nfs/dbraw/zinc/32/75/55/953327555.db2.gz LJHPLJGHUKLMRE-AWEZNQCLSA-N -1 1 384.488 1.740 20 0 GDADMM 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/nfs/dbraw/zinc/02/90/05/222029005.db2.gz NKLQTLMKJKBALF-UHFFFAOYSA-N -1 1 393.421 1.874 20 0 GDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)Cc1ccc(Cl)cc1Br ZINC000737775900 598841649 /nfs/dbraw/zinc/84/16/49/598841649.db2.gz IDUFONGVUKLRSI-UHFFFAOYSA-N -1 1 382.609 1.944 20 0 GDADMM Cc1nn(-c2ccccc2)c(COC(=O)COC[C@H]2CCCO2)c1-c1nn[n-]n1 ZINC000737504464 598848407 /nfs/dbraw/zinc/84/84/07/598848407.db2.gz ZUPGHRQXSSBQQR-OAHLLOKOSA-N -1 1 398.423 1.600 20 0 GDADMM Cc1noc(C)c1[C@@H](C)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000737541241 598866127 /nfs/dbraw/zinc/86/61/27/598866127.db2.gz ZGXLPZHVDILDLX-SNVBAGLBSA-N -1 1 385.428 1.999 20 0 GDADMM CN(CC(=O)NC(C)(C)C)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736781713 598874202 /nfs/dbraw/zinc/87/42/02/598874202.db2.gz DMGJEBUDYSMKTF-UHFFFAOYSA-N -1 1 386.865 1.055 20 0 GDADMM CN(CC(=O)NC(C)(C)C)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736781713 598874203 /nfs/dbraw/zinc/87/42/03/598874203.db2.gz DMGJEBUDYSMKTF-UHFFFAOYSA-N -1 1 386.865 1.055 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCCOc1cccnc1 ZINC000737548347 598908261 /nfs/dbraw/zinc/90/82/61/598908261.db2.gz OSCVVNNBYDGRCK-UHFFFAOYSA-N -1 1 379.380 1.763 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCOc1cccnc1 ZINC000737548347 598908262 /nfs/dbraw/zinc/90/82/62/598908262.db2.gz OSCVVNNBYDGRCK-UHFFFAOYSA-N -1 1 379.380 1.763 20 0 GDADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)C=Cc1ccccc1-c1nn[nH]n1 ZINC000737487167 598913025 /nfs/dbraw/zinc/91/30/25/598913025.db2.gz GARYJAFXQGNQSC-FPLPWBNLSA-N -1 1 390.407 1.561 20 0 GDADMM Cc1oc(NC(=O)COC(=O)c2ccc(Cl)nc2N)c(-c2nn[n-]n2)c1C ZINC000737552916 598922591 /nfs/dbraw/zinc/92/25/91/598922591.db2.gz SSCCIHRQSLMTAT-UHFFFAOYSA-N -1 1 391.775 1.503 20 0 GDADMM COC(=O)c1ccc(CNC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)o1 ZINC000736948439 598927953 /nfs/dbraw/zinc/92/79/53/598927953.db2.gz UNYAZKAHIZFHRU-UHFFFAOYSA-N -1 1 396.363 1.868 20 0 GDADMM COC(=O)c1ccc(CNC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)o1 ZINC000736948439 598927954 /nfs/dbraw/zinc/92/79/54/598927954.db2.gz UNYAZKAHIZFHRU-UHFFFAOYSA-N -1 1 396.363 1.868 20 0 GDADMM CC(=O)N1CCc2cc([N-]S(=O)(=O)c3cc(-c4nn[nH]n4)ccc3C)ccc21 ZINC000735465978 598929692 /nfs/dbraw/zinc/92/96/92/598929692.db2.gz CNTAKGBLKKWIDS-UHFFFAOYSA-N -1 1 398.448 1.885 20 0 GDADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N(C)C)cc1 ZINC000737224858 598947371 /nfs/dbraw/zinc/94/73/71/598947371.db2.gz ISCBIEZZSQCZSM-UHFFFAOYSA-N -1 1 386.437 1.678 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000736295169 598949875 /nfs/dbraw/zinc/94/98/75/598949875.db2.gz ZGTVIWOYXLNUSZ-DGCLKSJQSA-N -1 1 387.444 1.637 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000736295169 598949877 /nfs/dbraw/zinc/94/98/77/598949877.db2.gz ZGTVIWOYXLNUSZ-DGCLKSJQSA-N -1 1 387.444 1.637 20 0 GDADMM O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738037358 598982199 /nfs/dbraw/zinc/98/21/99/598982199.db2.gz GSUUXHWUDYHVDP-QGZVFWFLSA-N -1 1 397.414 1.204 20 0 GDADMM O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738037358 598982201 /nfs/dbraw/zinc/98/22/01/598982201.db2.gz GSUUXHWUDYHVDP-QGZVFWFLSA-N -1 1 397.414 1.204 20 0 GDADMM COc1cccc([C@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)c2nccn2C)c1 ZINC000737130855 598985063 /nfs/dbraw/zinc/98/50/63/598985063.db2.gz ZFEPYGLCCQVRHD-INIZCTEOSA-N -1 1 390.407 1.523 20 0 GDADMM COc1cccc([C@H](NC(=O)c2ccc(-c3nn[n-]n3)nc2)c2nccn2C)c1 ZINC000737130855 598985065 /nfs/dbraw/zinc/98/50/65/598985065.db2.gz ZFEPYGLCCQVRHD-INIZCTEOSA-N -1 1 390.407 1.523 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)N[C@H]1CCCc2ccccc21 ZINC000737908036 598994616 /nfs/dbraw/zinc/99/46/16/598994616.db2.gz GXTOSCDSERUXAZ-HNNXBMFYSA-N -1 1 378.392 1.612 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)N[C@H]1CCCc2ccccc21 ZINC000737908036 598994618 /nfs/dbraw/zinc/99/46/18/598994618.db2.gz GXTOSCDSERUXAZ-HNNXBMFYSA-N -1 1 378.392 1.612 20 0 GDADMM COc1ccc(C2(CNC(=O)c3ccc(-c4nnn[n-]4)nc3)CCOCC2)cc1 ZINC000737077735 598997186 /nfs/dbraw/zinc/99/71/86/598997186.db2.gz TZHWUZYLWSZDBN-UHFFFAOYSA-N -1 1 394.435 1.749 20 0 GDADMM COc1ccc(C2(CNC(=O)c3ccc(-c4nn[n-]n4)nc3)CCOCC2)cc1 ZINC000737077735 598997187 /nfs/dbraw/zinc/99/71/87/598997187.db2.gz TZHWUZYLWSZDBN-UHFFFAOYSA-N -1 1 394.435 1.749 20 0 GDADMM CCOC(=O)C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)cc1 ZINC000736593306 598998561 /nfs/dbraw/zinc/99/85/61/598998561.db2.gz GYDHBBGLBSMCIT-OAHLLOKOSA-N -1 1 384.371 1.825 20 0 GDADMM CCOC(=O)C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)cc1 ZINC000736593306 598998563 /nfs/dbraw/zinc/99/85/63/598998563.db2.gz GYDHBBGLBSMCIT-OAHLLOKOSA-N -1 1 384.371 1.825 20 0 GDADMM O=C(NC1CC1)c1c2c(sc1NC(=O)c1ccc(-c3nnn[n-]3)nc1)CCC2 ZINC000738207824 599000661 /nfs/dbraw/zinc/00/06/61/599000661.db2.gz ISQUWOWZOPHABZ-UHFFFAOYSA-N -1 1 395.448 1.956 20 0 GDADMM O=C(NC1CC1)c1c2c(sc1NC(=O)c1ccc(-c3nn[n-]n3)nc1)CCC2 ZINC000738207824 599000663 /nfs/dbraw/zinc/00/06/63/599000663.db2.gz ISQUWOWZOPHABZ-UHFFFAOYSA-N -1 1 395.448 1.956 20 0 GDADMM CC(C)c1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)n(-c2ncccn2)n1 ZINC000735922984 599004039 /nfs/dbraw/zinc/00/40/39/599004039.db2.gz QPGGIYCZYOSKAB-UHFFFAOYSA-N -1 1 376.384 1.613 20 0 GDADMM CC(C)c1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)n(-c2ncccn2)n1 ZINC000735922984 599004041 /nfs/dbraw/zinc/00/40/41/599004041.db2.gz QPGGIYCZYOSKAB-UHFFFAOYSA-N -1 1 376.384 1.613 20 0 GDADMM COc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c(C(=O)NC2CC2)c1 ZINC000737104958 599004730 /nfs/dbraw/zinc/00/47/30/599004730.db2.gz VAXZWAFFVFECBO-UHFFFAOYSA-N -1 1 379.380 1.415 20 0 GDADMM COc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c(C(=O)NC2CC2)c1 ZINC000737104958 599004731 /nfs/dbraw/zinc/00/47/31/599004731.db2.gz VAXZWAFFVFECBO-UHFFFAOYSA-N -1 1 379.380 1.415 20 0 GDADMM CCCN([C@H]1C[C@@H](OCC)C1(C)C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736470441 599008948 /nfs/dbraw/zinc/00/89/48/599008948.db2.gz FZKSJPOTXNEYDZ-LSDHHAIUSA-N -1 1 394.501 1.866 20 0 GDADMM CCCN([C@H]1C[C@@H](OCC)C1(C)C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736470441 599008951 /nfs/dbraw/zinc/00/89/51/599008951.db2.gz FZKSJPOTXNEYDZ-LSDHHAIUSA-N -1 1 394.501 1.866 20 0 GDADMM O=C(NC1CCCCC1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000738027046 599021602 /nfs/dbraw/zinc/02/16/02/599021602.db2.gz WSDPIKKYJNGOBU-UHFFFAOYSA-N -1 1 384.444 1.062 20 0 GDADMM O=C(NC1CCCCC1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000738027046 599021603 /nfs/dbraw/zinc/02/16/03/599021603.db2.gz WSDPIKKYJNGOBU-UHFFFAOYSA-N -1 1 384.444 1.062 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000738258726 599021980 /nfs/dbraw/zinc/02/19/80/599021980.db2.gz MAZQEFZUEDRBOY-ZDUSSCGKSA-N -1 1 375.396 1.324 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000738258726 599021982 /nfs/dbraw/zinc/02/19/82/599021982.db2.gz MAZQEFZUEDRBOY-ZDUSSCGKSA-N -1 1 375.396 1.324 20 0 GDADMM CC(C)N1C(=S)N=NC1[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000735953749 599030770 /nfs/dbraw/zinc/03/07/70/599030770.db2.gz JXONTQPMVLYCIR-LBPRGKRZSA-N -1 1 399.484 1.743 20 0 GDADMM CC(C)N1C(=S)N=NC1[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000735953749 599030772 /nfs/dbraw/zinc/03/07/72/599030772.db2.gz JXONTQPMVLYCIR-LBPRGKRZSA-N -1 1 399.484 1.743 20 0 GDADMM O=C(CCCNC(=O)c1ccc(-c2nnn[n-]2)nc1)N1Cc2ccccc2C1 ZINC000738054224 599031604 /nfs/dbraw/zinc/03/16/04/599031604.db2.gz CVJXZCOVYDZCDZ-UHFFFAOYSA-N -1 1 377.408 1.314 20 0 GDADMM O=C(CCCNC(=O)c1ccc(-c2nn[n-]n2)nc1)N1Cc2ccccc2C1 ZINC000738054224 599031606 /nfs/dbraw/zinc/03/16/06/599031606.db2.gz CVJXZCOVYDZCDZ-UHFFFAOYSA-N -1 1 377.408 1.314 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCN(c2ccccc2)CC1 ZINC000738354847 599032745 /nfs/dbraw/zinc/03/27/45/599032745.db2.gz KVIMKBSBDGBBFA-UHFFFAOYSA-N -1 1 388.428 1.517 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCN(c2ccccc2)CC1 ZINC000738354847 599032751 /nfs/dbraw/zinc/03/27/51/599032751.db2.gz KVIMKBSBDGBBFA-UHFFFAOYSA-N -1 1 388.428 1.517 20 0 GDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000737776356 599055214 /nfs/dbraw/zinc/05/52/14/599055214.db2.gz LFWYJWDDQZWTLR-IUCAKERBSA-N -1 1 379.302 1.988 20 0 GDADMM Nc1n[nH]c(CCCNC(=O)Nc2cnn(-c3ccccc3)c2)c1-c1nnn[n-]1 ZINC000737776964 599059378 /nfs/dbraw/zinc/05/93/78/599059378.db2.gz UPEZJIXFRIKWNN-UHFFFAOYSA-N -1 1 393.415 1.112 20 0 GDADMM Nc1n[nH]c(CCCNC(=O)Nc2cnn(-c3ccccc3)c2)c1-c1nn[n-]n1 ZINC000737776964 599059379 /nfs/dbraw/zinc/05/93/79/599059379.db2.gz UPEZJIXFRIKWNN-UHFFFAOYSA-N -1 1 393.415 1.112 20 0 GDADMM Cc1cc(N2CC[C@H](Nc3snc(Cl)c3-c3nnn[n-]3)C2=O)n(C)n1 ZINC000822207088 599083521 /nfs/dbraw/zinc/08/35/21/599083521.db2.gz KJOMOXSGZASSAJ-ZETCQYMHSA-N -1 1 379.837 1.236 20 0 GDADMM Cc1cc(N2CC[C@H](Nc3snc(Cl)c3-c3nn[n-]n3)C2=O)n(C)n1 ZINC000822207088 599083523 /nfs/dbraw/zinc/08/35/23/599083523.db2.gz KJOMOXSGZASSAJ-ZETCQYMHSA-N -1 1 379.837 1.236 20 0 GDADMM C[C@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)nc3ccccc32)C(=O)N1c1cnn(C)c1 ZINC000820667896 599098497 /nfs/dbraw/zinc/09/84/97/599098497.db2.gz OSAICRUYEVHXSR-APPDUMDISA-N -1 1 389.423 1.176 20 0 GDADMM C[C@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)nc3ccccc32)C(=O)N1c1cnn(C)c1 ZINC000820667896 599098500 /nfs/dbraw/zinc/09/85/00/599098500.db2.gz OSAICRUYEVHXSR-APPDUMDISA-N -1 1 389.423 1.176 20 0 GDADMM CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)nc2)c1C ZINC000735498276 599131325 /nfs/dbraw/zinc/13/13/25/599131325.db2.gz XGRNYUKCOXNCIC-LLVKDONJSA-N -1 1 382.380 1.837 20 0 GDADMM CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)nc2)c1C ZINC000735498276 599131329 /nfs/dbraw/zinc/13/13/29/599131329.db2.gz XGRNYUKCOXNCIC-LLVKDONJSA-N -1 1 382.380 1.837 20 0 GDADMM Cc1cc(C)c(CCNC(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)c(C)c1 ZINC000737247410 599132340 /nfs/dbraw/zinc/13/23/40/599132340.db2.gz WGJYCAPTVPSCPB-UHFFFAOYSA-N -1 1 394.435 1.703 20 0 GDADMM Cc1cc(C)c(CCNC(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)c(C)c1 ZINC000737247410 599132342 /nfs/dbraw/zinc/13/23/42/599132342.db2.gz WGJYCAPTVPSCPB-UHFFFAOYSA-N -1 1 394.435 1.703 20 0 GDADMM COCCn1c(C)cc(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)c1C ZINC000737013815 599135072 /nfs/dbraw/zinc/13/50/72/599135072.db2.gz MGTQXFBSCBUDGB-UHFFFAOYSA-N -1 1 384.396 1.366 20 0 GDADMM COCCn1c(C)cc(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)nc2)c1C ZINC000737013815 599135074 /nfs/dbraw/zinc/13/50/74/599135074.db2.gz MGTQXFBSCBUDGB-UHFFFAOYSA-N -1 1 384.396 1.366 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000736157294 599138043 /nfs/dbraw/zinc/13/80/43/599138043.db2.gz JZKAZSPUDLXPEZ-FZMZJTMJSA-N -1 1 394.391 1.447 20 0 GDADMM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000736157294 599138046 /nfs/dbraw/zinc/13/80/46/599138046.db2.gz JZKAZSPUDLXPEZ-FZMZJTMJSA-N -1 1 394.391 1.447 20 0 GDADMM CC(C)[C@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000736223153 599140452 /nfs/dbraw/zinc/14/04/52/599140452.db2.gz HXEWOYMVCIHCIN-IOASZLSFSA-N -1 1 386.456 1.948 20 0 GDADMM CC(C)[C@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000736223153 599140454 /nfs/dbraw/zinc/14/04/54/599140454.db2.gz HXEWOYMVCIHCIN-IOASZLSFSA-N -1 1 386.456 1.948 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000736158434 599140661 /nfs/dbraw/zinc/14/06/61/599140661.db2.gz PTZASBFTPQPOKU-NWDGAFQWSA-N -1 1 378.392 1.785 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000736158434 599140662 /nfs/dbraw/zinc/14/06/62/599140662.db2.gz PTZASBFTPQPOKU-NWDGAFQWSA-N -1 1 378.392 1.785 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)N[C@@H](c1ccccc1)C1CC1 ZINC000737908212 599141207 /nfs/dbraw/zinc/14/12/07/599141207.db2.gz JMUGOVKKQBRFMX-KRWDZBQOSA-N -1 1 378.392 1.686 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)N[C@@H](c1ccccc1)C1CC1 ZINC000737908212 599141209 /nfs/dbraw/zinc/14/12/09/599141209.db2.gz JMUGOVKKQBRFMX-KRWDZBQOSA-N -1 1 378.392 1.686 20 0 GDADMM COc1ccccc1[C@@H](C)NC(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737143019 599141435 /nfs/dbraw/zinc/14/14/35/599141435.db2.gz RQOJGVSMFWTIKQ-NEPJUHHUSA-N -1 1 396.407 1.693 20 0 GDADMM COc1ccccc1[C@@H](C)NC(=O)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737143019 599141437 /nfs/dbraw/zinc/14/14/37/599141437.db2.gz RQOJGVSMFWTIKQ-NEPJUHHUSA-N -1 1 396.407 1.693 20 0 GDADMM CCc1nn(Cc2ccn(-c3ccc(F)cc3)n2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706064 599166260 /nfs/dbraw/zinc/16/62/60/599166260.db2.gz GLGXRUDBGGOLDF-UHFFFAOYSA-N -1 1 394.414 1.921 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1C[C@@H](C)S[C@@H](C)C1 ZINC000822005046 599187039 /nfs/dbraw/zinc/18/70/39/599187039.db2.gz NMIASELDIPGCJO-AOOOYVTPSA-N -1 1 376.486 1.869 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@H](C)[C@H]1CCOC1 ZINC000737488860 599209411 /nfs/dbraw/zinc/20/94/11/599209411.db2.gz YTGBYNMZEARLDC-MFKMUULPSA-N -1 1 384.444 1.000 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@H](C)[C@H]1CCOC1 ZINC000737488860 599209413 /nfs/dbraw/zinc/20/94/13/599209413.db2.gz YTGBYNMZEARLDC-MFKMUULPSA-N -1 1 384.444 1.000 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCOC[C@H]1c1ccco1 ZINC000738355905 599211166 /nfs/dbraw/zinc/21/11/66/599211166.db2.gz UVZURNRSQBEFEC-NSHDSACASA-N -1 1 395.828 1.875 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCOC[C@H]1c1ccco1 ZINC000738355905 599211167 /nfs/dbraw/zinc/21/11/67/599211167.db2.gz UVZURNRSQBEFEC-NSHDSACASA-N -1 1 395.828 1.875 20 0 GDADMM O=C(CC1CCOCC1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000737821429 599229567 /nfs/dbraw/zinc/22/95/67/599229567.db2.gz LQYPNHLODISWMJ-UHFFFAOYSA-N -1 1 387.444 1.197 20 0 GDADMM O=C(O[C@H]1CCNC1=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000823397310 607262319 /nfs/dbraw/zinc/26/23/19/607262319.db2.gz VDQPQIVLVWWWOJ-AWEZNQCLSA-N -1 1 383.339 1.843 20 0 GDADMM O=C(O[C@H]1CCNC1=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000823397310 607262320 /nfs/dbraw/zinc/26/23/20/607262320.db2.gz VDQPQIVLVWWWOJ-AWEZNQCLSA-N -1 1 383.339 1.843 20 0 GDADMM CC(C)(C)OC(=O)N1CC2(C1)CC(=O)N(CN1CCC[C@H](CC(=O)[O-])C1)C2 ZINC000817808251 597041696 /nfs/dbraw/zinc/04/16/96/597041696.db2.gz PVGSJJRKQTYQFO-CQSZACIVSA-N -1 1 381.473 1.600 20 0 GDADMM O=C([O-])C[C@@H]1CCCN(C(=O)NCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000819358121 597057879 /nfs/dbraw/zinc/05/78/79/597057879.db2.gz SGZLBNUCSCEJDB-IBGZPJMESA-N -1 1 388.512 1.701 20 0 GDADMM O=C([C@H]1CCCN(c2cc(-c3nnn[n-]3)nc3ccccc32)C1)N1CCOCC1 ZINC000737793235 599265347 /nfs/dbraw/zinc/26/53/47/599265347.db2.gz WWFWLVGOAZARHL-AWEZNQCLSA-N -1 1 393.451 1.490 20 0 GDADMM O=C([C@H]1CCCN(c2cc(-c3nn[n-]n3)nc3ccccc32)C1)N1CCOCC1 ZINC000737793235 599265350 /nfs/dbraw/zinc/26/53/50/599265350.db2.gz WWFWLVGOAZARHL-AWEZNQCLSA-N -1 1 393.451 1.490 20 0 GDADMM Cn1ccnc1[C@@H](O)[C@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000822694112 607306046 /nfs/dbraw/zinc/30/60/46/607306046.db2.gz VVDMCIMYECUJJF-SJCJKPOMSA-N -1 1 391.439 1.493 20 0 GDADMM Cn1ccnc1[C@@H](O)[C@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000822694112 607306047 /nfs/dbraw/zinc/30/60/47/607306047.db2.gz VVDMCIMYECUJJF-SJCJKPOMSA-N -1 1 391.439 1.493 20 0 GDADMM O=C(O[C@H]1CNC(=O)C1)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000823521166 607323138 /nfs/dbraw/zinc/32/31/38/607323138.db2.gz RIKFTKUSSPKHLG-GFCCVEGCSA-N -1 1 383.339 1.843 20 0 GDADMM O=C(O[C@H]1CNC(=O)C1)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000823521166 607323139 /nfs/dbraw/zinc/32/31/39/607323139.db2.gz RIKFTKUSSPKHLG-GFCCVEGCSA-N -1 1 383.339 1.843 20 0 GDADMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2F)c(F)c1 ZINC000819818890 607327839 /nfs/dbraw/zinc/32/78/39/607327839.db2.gz XISUFBVPLQLXMS-UHFFFAOYSA-N -1 1 394.363 1.904 20 0 GDADMM C[C@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CCN1c1nccn2cnnc12 ZINC000820778489 607331648 /nfs/dbraw/zinc/33/16/48/607331648.db2.gz XOXLLIYDZDJWKT-JTQLQIEISA-N -1 1 397.834 1.068 20 0 GDADMM C[C@H]1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CCN1c1nccn2cnnc12 ZINC000820778489 607331649 /nfs/dbraw/zinc/33/16/49/607331649.db2.gz XOXLLIYDZDJWKT-JTQLQIEISA-N -1 1 397.834 1.068 20 0 GDADMM CC[C@H](C)[C@H](NCC(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1)C(=O)[O-] ZINC000820459552 598187840 /nfs/dbraw/zinc/18/78/40/598187840.db2.gz BSBDSUNQWPBNEN-VKJFTORMSA-N -1 1 381.517 1.572 20 0 GDADMM O=C(Nc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1)C1CC1 ZINC000738172539 598266225 /nfs/dbraw/zinc/26/62/25/598266225.db2.gz NSEXKRBKJDGYRX-UHFFFAOYSA-N -1 1 386.393 1.378 20 0 GDADMM O=C(Nc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1)C1CC1 ZINC000738172539 598266227 /nfs/dbraw/zinc/26/62/27/598266227.db2.gz NSEXKRBKJDGYRX-UHFFFAOYSA-N -1 1 386.393 1.378 20 0 GDADMM CCN(CC)S(=O)(=O)c1ccc(CNc2nccnc2-c2nnn[n-]2)s1 ZINC000736532043 598340096 /nfs/dbraw/zinc/34/00/96/598340096.db2.gz PXHJENBCODNTJQ-UHFFFAOYSA-N -1 1 394.486 1.361 20 0 GDADMM CCN(CC)S(=O)(=O)c1ccc(CNc2nccnc2-c2nn[n-]n2)s1 ZINC000736532043 598340097 /nfs/dbraw/zinc/34/00/97/598340097.db2.gz PXHJENBCODNTJQ-UHFFFAOYSA-N -1 1 394.486 1.361 20 0 GDADMM O=C(Nc1ccc2c(c1)OCO2)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000738174709 598346536 /nfs/dbraw/zinc/34/65/36/598346536.db2.gz LRXCPODFAVISSB-UHFFFAOYSA-N -1 1 394.395 1.241 20 0 GDADMM O=C(Nc1ccc2c(c1)OCO2)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000738174709 598346538 /nfs/dbraw/zinc/34/65/38/598346538.db2.gz LRXCPODFAVISSB-UHFFFAOYSA-N -1 1 394.395 1.241 20 0 GDADMM CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)c1nccnc1-c1nnn[n-]1 ZINC000736795021 598347016 /nfs/dbraw/zinc/34/70/16/598347016.db2.gz VGBMIDBMPROPGQ-NSHDSACASA-N -1 1 395.345 1.552 20 0 GDADMM CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)c1nccnc1-c1nn[n-]n1 ZINC000736795021 598347017 /nfs/dbraw/zinc/34/70/17/598347017.db2.gz VGBMIDBMPROPGQ-NSHDSACASA-N -1 1 395.345 1.552 20 0 GDADMM O[C@@H](CNc1nccnc1-c1nnn[n-]1)COc1cccc(C(F)(F)F)c1 ZINC000738388344 598349202 /nfs/dbraw/zinc/34/92/02/598349202.db2.gz SHJNMYAQOOKMJL-JTQLQIEISA-N -1 1 381.318 1.527 20 0 GDADMM O[C@@H](CNc1nccnc1-c1nn[n-]n1)COc1cccc(C(F)(F)F)c1 ZINC000738388344 598349204 /nfs/dbraw/zinc/34/92/04/598349204.db2.gz SHJNMYAQOOKMJL-JTQLQIEISA-N -1 1 381.318 1.527 20 0 GDADMM CCCc1cc(=O)n2[n-]c(NC(=O)C=Cc3ccccc3-c3nn[nH]n3)nc2n1 ZINC000736498734 598373763 /nfs/dbraw/zinc/37/37/63/598373763.db2.gz YPQIXTVAFGHDFV-HJWRWDBZSA-N -1 1 391.395 1.202 20 0 GDADMM CCc1nn(CC(=O)Nc2cc(F)ccc2F)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706549 598377825 /nfs/dbraw/zinc/37/78/25/598377825.db2.gz XRAKYMJJTATSSS-UHFFFAOYSA-N -1 1 389.366 1.465 20 0 GDADMM CCc1nn(CC(=O)NCCC2=CCCCC2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706605 598378202 /nfs/dbraw/zinc/37/82/02/598378202.db2.gz YCNHBYZUEOCBSY-UHFFFAOYSA-N -1 1 385.472 1.555 20 0 GDADMM C/C(=C/C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1)C1CC1 ZINC000735449000 598407033 /nfs/dbraw/zinc/40/70/33/598407033.db2.gz UDQITKXPLFJOKZ-XFXZXTDPSA-N -1 1 393.407 1.890 20 0 GDADMM C/C(=C/C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1)C1CC1 ZINC000735449000 598407035 /nfs/dbraw/zinc/40/70/35/598407035.db2.gz UDQITKXPLFJOKZ-XFXZXTDPSA-N -1 1 393.407 1.890 20 0 GDADMM Cc1oc(NC(=O)COC(=O)c2cc(F)c(F)cc2N)c(-c2nn[n-]n2)c1C ZINC000737553996 598425448 /nfs/dbraw/zinc/42/54/48/598425448.db2.gz YVVCLPVHVLCEQX-UHFFFAOYSA-N -1 1 392.322 1.732 20 0 GDADMM O=C(Nc1ccccc1Oc1ncccc1-c1nn[n-]n1)C(=O)NC1CCC1 ZINC000738189519 598433806 /nfs/dbraw/zinc/43/38/06/598433806.db2.gz GYVQFRYQFZKNFU-UHFFFAOYSA-N -1 1 379.380 1.661 20 0 GDADMM Cc1nn(C)cc1[C@H](C)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000737509214 598502883 /nfs/dbraw/zinc/50/28/83/598502883.db2.gz ACUVVJCWSDVRMW-NSHDSACASA-N -1 1 384.444 1.436 20 0 GDADMM CN(C)C(=O)COc1cccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000736748537 598576129 /nfs/dbraw/zinc/57/61/29/598576129.db2.gz ZBFZTCIFTIWKKY-UHFFFAOYSA-N -1 1 387.831 1.994 20 0 GDADMM CN(C)C(=O)COc1cccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000736748537 598576130 /nfs/dbraw/zinc/57/61/30/598576130.db2.gz ZBFZTCIFTIWKKY-UHFFFAOYSA-N -1 1 387.831 1.994 20 0 GDADMM CCc1nnc2n1CCN(C(=O)c1c(C)oc(-n3cccc3)c1-c1nnn[n-]1)C2 ZINC000736710309 598612504 /nfs/dbraw/zinc/61/25/04/598612504.db2.gz HREKSXFIYWVGEN-UHFFFAOYSA-N -1 1 393.411 1.369 20 0 GDADMM CCc1nnc2n1CCN(C(=O)c1c(C)oc(-n3cccc3)c1-c1nn[n-]n1)C2 ZINC000736710309 598612506 /nfs/dbraw/zinc/61/25/06/598612506.db2.gz HREKSXFIYWVGEN-UHFFFAOYSA-N -1 1 393.411 1.369 20 0 GDADMM CCc1nn(Cc2nc(N)c3ccccc3n2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705781 598642213 /nfs/dbraw/zinc/64/22/13/598642213.db2.gz ATQZIIKQZIWWCY-UHFFFAOYSA-N -1 1 377.412 1.122 20 0 GDADMM O=C(Cn1cccc(-c2nn[n-]n2)c1=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000737986740 598676792 /nfs/dbraw/zinc/67/67/92/598676792.db2.gz NIPKXWQCNFPZMU-UHFFFAOYSA-N -1 1 394.313 1.243 20 0 GDADMM COC(=O)c1ccc(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000736947633 598685242 /nfs/dbraw/zinc/68/52/42/598685242.db2.gz BTSYMSXOOKVPBK-UHFFFAOYSA-N -1 1 378.341 1.560 20 0 GDADMM COC(=O)Nc1cccc(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000736940816 598691719 /nfs/dbraw/zinc/69/17/19/598691719.db2.gz XMZFLCGRAROHSJ-UHFFFAOYSA-N -1 1 393.356 1.952 20 0 GDADMM CCc1nc(CN(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cs1 ZINC000736705069 598691772 /nfs/dbraw/zinc/69/17/72/598691772.db2.gz XJTFXIPWADXXQS-UHFFFAOYSA-N -1 1 382.446 1.845 20 0 GDADMM COc1ccc(-c2nc(SCCn3cncn3)[nH]c(=O)c2-c2nn[n-]n2)cc1 ZINC000737055222 598718468 /nfs/dbraw/zinc/71/84/68/598718468.db2.gz AZXHZTFTIQAVPF-UHFFFAOYSA-N -1 1 397.424 1.422 20 0 GDADMM CCNC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Br)ccc21 ZINC000736576638 598722555 /nfs/dbraw/zinc/72/25/55/598722555.db2.gz XSXITUNIPDNAIF-UHFFFAOYSA-N -1 1 377.202 1.080 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCCN(C)CC(F)(F)F ZINC000737546748 598754035 /nfs/dbraw/zinc/75/40/35/598754035.db2.gz FVGLXIVWMGJYTP-UHFFFAOYSA-N -1 1 397.361 1.783 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCN(C)CC(F)(F)F ZINC000737546748 598754036 /nfs/dbraw/zinc/75/40/36/598754036.db2.gz FVGLXIVWMGJYTP-UHFFFAOYSA-N -1 1 397.361 1.783 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(Nc2cccc(Oc3ccncc3)c2)n(C)c1=O ZINC000737595716 598788792 /nfs/dbraw/zinc/78/87/92/598788792.db2.gz KKNMLQULVRAFPD-UHFFFAOYSA-N -1 1 392.379 1.195 20 0 GDADMM CCCC[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccc(OC)cc1 ZINC000736438987 598816446 /nfs/dbraw/zinc/81/64/46/598816446.db2.gz QIZOWYRKROQAOE-CQSZACIVSA-N -1 1 399.455 1.616 20 0 GDADMM Cn1cc([C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)cn1 ZINC000822673935 599342846 /nfs/dbraw/zinc/34/28/46/599342846.db2.gz GZMQLTUZZOXKLM-CYBMUJFWSA-N -1 1 393.860 1.779 20 0 GDADMM C[C@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)Oc1ccccc1F ZINC000820276391 599364651 /nfs/dbraw/zinc/36/46/51/599364651.db2.gz WJAPZEICESCGKU-SNVBAGLBSA-N -1 1 378.389 1.147 20 0 GDADMM C[C@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)Oc1ccccc1F ZINC000820276391 599364655 /nfs/dbraw/zinc/36/46/55/599364655.db2.gz WJAPZEICESCGKU-SNVBAGLBSA-N -1 1 378.389 1.147 20 0 GDADMM CN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c2cc(F)ccc21 ZINC000821628917 599370352 /nfs/dbraw/zinc/37/03/52/599370352.db2.gz UQRUNJSRZUAVOJ-UHFFFAOYSA-N -1 1 375.389 1.046 20 0 GDADMM CN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c2cc(F)ccc21 ZINC000821628917 599370353 /nfs/dbraw/zinc/37/03/53/599370353.db2.gz UQRUNJSRZUAVOJ-UHFFFAOYSA-N -1 1 375.389 1.046 20 0 GDADMM CN1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c2cc(F)ccc21 ZINC000821628910 599370381 /nfs/dbraw/zinc/37/03/81/599370381.db2.gz UMSRKPBOKUXLCA-UHFFFAOYSA-N -1 1 392.391 1.790 20 0 GDADMM CCO[C@H]1C[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C12CCCC2 ZINC000821361914 599377056 /nfs/dbraw/zinc/37/70/56/599377056.db2.gz XWZVONWYTTUJME-KGLIPLIRSA-N -1 1 378.458 1.278 20 0 GDADMM CCO[C@H]1C[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C12CCCC2 ZINC000821361914 599377059 /nfs/dbraw/zinc/37/70/59/599377059.db2.gz XWZVONWYTTUJME-KGLIPLIRSA-N -1 1 378.458 1.278 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC[C@@H](C)CC2(C)OCCO2)cc1-c1nn[n-]n1 ZINC000821977440 599394271 /nfs/dbraw/zinc/39/42/71/599394271.db2.gz GFRNBYQLICQEKE-VIFPVBQESA-N -1 1 394.457 1.208 20 0 GDADMM Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)c2ccc(-c3nnn[n-]3)nc2)o1 ZINC000737524001 599548757 /nfs/dbraw/zinc/54/87/57/599548757.db2.gz ZCOOOURTVYMAEF-MRXNPFEDSA-N -1 1 388.391 1.893 20 0 GDADMM Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)c2ccc(-c3nn[n-]n3)nc2)o1 ZINC000737524001 599548759 /nfs/dbraw/zinc/54/87/59/599548759.db2.gz ZCOOOURTVYMAEF-MRXNPFEDSA-N -1 1 388.391 1.893 20 0 GDADMM Cc1noc(C)c1C[C@H](C)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000737538278 599553585 /nfs/dbraw/zinc/55/35/85/599553585.db2.gz MOQAMCFDVSBUHH-VIFPVBQESA-N -1 1 399.455 1.869 20 0 GDADMM COc1ncccc1N(C)C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000737160790 599556662 /nfs/dbraw/zinc/55/66/62/599556662.db2.gz DUOFZVBOAQKJDS-UHFFFAOYSA-N -1 1 383.412 1.583 20 0 GDADMM CCc1nc(CN2CCN(c3c4ccccc4nnc3-c3nnn[n-]3)CC2)no1 ZINC000821509715 599564339 /nfs/dbraw/zinc/56/43/39/599564339.db2.gz LUDPXQYBCBCGHC-UHFFFAOYSA-N -1 1 392.427 1.078 20 0 GDADMM CCc1nc(CN2CCN(c3c4ccccc4nnc3-c3nn[n-]n3)CC2)no1 ZINC000821509715 599564341 /nfs/dbraw/zinc/56/43/41/599564341.db2.gz LUDPXQYBCBCGHC-UHFFFAOYSA-N -1 1 392.427 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LAQYXLBGQSCFJU-UHFFFAOYSA-N -1 1 381.421 1.562 20 0 GDADMM C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000828430474 601976596 /nfs/dbraw/zinc/97/65/96/601976596.db2.gz CECHUXJJFFQLLE-DYVFJYSZSA-N -1 1 389.452 1.468 20 0 GDADMM C[C@H](c1cn(-c2ccccc2)nn1)S(=O)(=O)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000824777546 607537081 /nfs/dbraw/zinc/53/70/81/607537081.db2.gz JRTPDLODUSCWJM-GFCCVEGCSA-N -1 1 396.436 1.518 20 0 GDADMM C[C@H](c1cn(-c2ccccc2)nn1)S(=O)(=O)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000824777546 607537083 /nfs/dbraw/zinc/53/70/83/607537083.db2.gz JRTPDLODUSCWJM-GFCCVEGCSA-N -1 1 396.436 1.518 20 0 GDADMM CN1CCN(c2ccc(CNC(=O)NC[C@H]3CCCN(C(=O)[O-])C3)cn2)CC1 ZINC000739737561 602009809 /nfs/dbraw/zinc/00/98/09/602009809.db2.gz ZKPGOJAZYBJPNY-MRXNPFEDSA-N -1 1 390.488 1.023 20 0 GDADMM CCOc1ccccc1-n1nnnc1SCc1ccnc(-c2nnn[n-]2)c1 ZINC000825654150 607538728 /nfs/dbraw/zinc/53/87/28/607538728.db2.gz PQKDQALJHALBOH-UHFFFAOYSA-N -1 1 381.425 1.928 20 0 GDADMM CCOc1ccccc1-n1nnnc1SCc1ccnc(-c2nn[n-]n2)c1 ZINC000825654150 607538730 /nfs/dbraw/zinc/53/87/30/607538730.db2.gz PQKDQALJHALBOH-UHFFFAOYSA-N -1 1 381.425 1.928 20 0 GDADMM CCc1ncsc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000825755512 607540766 /nfs/dbraw/zinc/54/07/66/607540766.db2.gz YZSJHQWKLSQZMM-SNVBAGLBSA-N -1 1 385.457 1.027 20 0 GDADMM CCc1ncsc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000825755512 607540767 /nfs/dbraw/zinc/54/07/67/607540767.db2.gz YZSJHQWKLSQZMM-SNVBAGLBSA-N -1 1 385.457 1.027 20 0 GDADMM COc1cccc([C@H](CNC(=O)N2CCC[C@@H](CNC(=O)[O-])C2)N(C)C)c1 ZINC000739943642 602061520 /nfs/dbraw/zinc/06/15/20/602061520.db2.gz AKUUUEYDZGCIHS-YOEHRIQHSA-N -1 1 378.473 1.987 20 0 GDADMM CC(C)CN1CCO[C@H](CNC(=O)N2CCC[C@H]([C@@H]3CCCN3C(=O)[O-])C2)C1 ZINC000738823078 602064636 /nfs/dbraw/zinc/06/46/36/602064636.db2.gz DUUBCBNZRWPFQE-KSZLIROESA-N -1 1 396.532 1.907 20 0 GDADMM O=C([O-])Nc1ccc(NC(=O)C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cn1 ZINC000740705522 602087930 /nfs/dbraw/zinc/08/79/30/602087930.db2.gz BMCKUQKCYSZLSR-MRXNPFEDSA-N -1 1 397.435 1.891 20 0 GDADMM CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(CC(=O)[O-])cc2)cc1F ZINC000548198781 602111514 /nfs/dbraw/zinc/11/15/14/602111514.db2.gz IWBASVUKFOFWBN-UHFFFAOYSA-N -1 1 387.410 1.657 20 0 GDADMM O=C([O-])N1CCN(c2ccc(NC(=O)Cc3n[nH]c4ccccc34)nc2)CC1 ZINC000740387244 602124322 /nfs/dbraw/zinc/12/43/22/602124322.db2.gz MFSLDLKNLBGLCU-UHFFFAOYSA-N -1 1 380.408 1.939 20 0 GDADMM COC[C@H](NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C)C1CC1 ZINC000826151128 607550045 /nfs/dbraw/zinc/55/00/45/607550045.db2.gz UJJMJUHFDCTGQL-HNNXBMFYSA-N -1 1 384.444 1.000 20 0 GDADMM COC[C@H](NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C)C1CC1 ZINC000826151128 607550047 /nfs/dbraw/zinc/55/00/47/607550047.db2.gz UJJMJUHFDCTGQL-HNNXBMFYSA-N -1 1 384.444 1.000 20 0 GDADMM CN(CCN1CCCC1)S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000063052030 602153529 /nfs/dbraw/zinc/15/35/29/602153529.db2.gz MNBYNQMQPSXUIV-UHFFFAOYSA-N -1 1 381.248 1.457 20 0 GDADMM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CCN(CCC(=O)N(C)C)CC1 ZINC000832917733 602239449 /nfs/dbraw/zinc/23/94/49/602239449.db2.gz QWFGXCSXIMRPOC-OAHLLOKOSA-N -1 1 390.484 1.116 20 0 GDADMM O=C([O-])N1CCC(CN2CCN(CC(=O)N3CCc4ccccc43)CC2)CC1 ZINC000740502696 602258368 /nfs/dbraw/zinc/25/83/68/602258368.db2.gz GUZUNHYGSQGKAD-UHFFFAOYSA-N -1 1 386.496 1.583 20 0 GDADMM CN(CCC(=O)Nc1cccc(Cl)c1)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739664324 602376033 /nfs/dbraw/zinc/37/60/33/602376033.db2.gz PIUICYSSQBPCNE-UHFFFAOYSA-N -1 1 382.848 1.423 20 0 GDADMM Cc1oc(NC(=O)COC(=O)c2cnn3c2CCCC3)c(-c2nn[n-]n2)c1C ZINC000826342338 607564078 /nfs/dbraw/zinc/56/40/78/607564078.db2.gz GVSHCAFRBUQBPL-UHFFFAOYSA-N -1 1 385.384 1.405 20 0 GDADMM COC(=O)Nc1ccc(CNC(=O)CN2CCC[C@H](CN(C)C(=O)[O-])C2)cc1 ZINC000739779076 602398868 /nfs/dbraw/zinc/39/88/68/602398868.db2.gz GBPDHSWKFZSNCQ-OAHLLOKOSA-N -1 1 392.456 1.803 20 0 GDADMM C[C@@H](NC(=O)[O-])C1CCN(CC(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000739022721 602444535 /nfs/dbraw/zinc/44/45/35/602444535.db2.gz DUDHFQVWCQHWRW-QGZVFWFLSA-N -1 1 388.512 1.699 20 0 GDADMM C[C@H](NC(=O)[O-])C1CCN(CC(=O)N2CCN(Cc3ccco3)CC2)CC1 ZINC000739028221 602445967 /nfs/dbraw/zinc/44/59/67/602445967.db2.gz QGWHNECDIBRQAH-HNNXBMFYSA-N -1 1 378.473 1.292 20 0 GDADMM C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C[C@H]3CCCN(C(=O)[O-])C3)CC2)C1 ZINC000739074092 602450713 /nfs/dbraw/zinc/45/07/13/602450713.db2.gz HOSMHKPSGKJPIO-KZNAEPCWSA-N -1 1 380.533 1.499 20 0 GDADMM COc1cccc(CC(=O)N2CCN(C[C@@H]3CCCN(C(=O)[O-])C3)CC2)c1 ZINC000739952044 602452478 /nfs/dbraw/zinc/45/24/78/602452478.db2.gz ZGNUHWMJHUJOSS-KRWDZBQOSA-N -1 1 375.469 1.772 20 0 GDADMM O=C([O-])Nc1cccc(C(=O)NCCCCN2CCN(c3ncccn3)CC2)c1 ZINC000740031618 602475738 /nfs/dbraw/zinc/47/57/38/602475738.db2.gz QGRBHMFBYJMCAT-UHFFFAOYSA-N -1 1 398.467 1.899 20 0 GDADMM CN(C[C@@H]1CCN(CC(=O)NCC2(c3ccccc3)CCOCC2)C1)C(=O)[O-] ZINC000739660657 602528107 /nfs/dbraw/zinc/52/81/07/602528107.db2.gz KKHQIKGQQYGSTM-KRWDZBQOSA-N -1 1 389.496 1.783 20 0 GDADMM CN(C[C@H]1CCN(CC(=O)N2CCN(c3ccccc3F)CC2)C1)C(=O)[O-] ZINC000739660168 602528773 /nfs/dbraw/zinc/52/87/73/602528773.db2.gz LJGCLGUUOMTSMX-OAHLLOKOSA-N -1 1 378.448 1.406 20 0 GDADMM CC(C)N(C)C(=O)C1CCN(C(=O)CN2CCC([C@H](C)NC(=O)[O-])CC2)CC1 ZINC000739022812 602531026 /nfs/dbraw/zinc/53/10/26/602531026.db2.gz FMWSMUCQDRFVOB-HNNXBMFYSA-N -1 1 396.532 1.460 20 0 GDADMM Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000740161768 602539685 /nfs/dbraw/zinc/53/96/85/602539685.db2.gz GMRYJEILGGSGDU-CVEARBPZSA-N -1 1 390.484 1.678 20 0 GDADMM O=C([O-])N1CCC[C@@H]1CNC(=O)NCCN1CCN(Cc2ccccc2)CC1 ZINC000740438192 602597966 /nfs/dbraw/zinc/59/79/66/602597966.db2.gz BFYSRNQKJDOAPH-GOSISDBHSA-N -1 1 389.500 1.246 20 0 GDADMM CN(C)[C@@H](CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccco1 ZINC000825849280 607576666 /nfs/dbraw/zinc/57/66/66/607576666.db2.gz JLERRTWQCXKAEO-NSHDSACASA-N -1 1 380.405 1.180 20 0 GDADMM CN(C)[C@@H](CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccco1 ZINC000825849280 607576668 /nfs/dbraw/zinc/57/66/68/607576668.db2.gz JLERRTWQCXKAEO-NSHDSACASA-N -1 1 380.405 1.180 20 0 GDADMM O=C([O-])N1CCN(CCNCc2ccccc2I)CC1 ZINC000740526732 602649628 /nfs/dbraw/zinc/64/96/28/602649628.db2.gz JRFUZMXVEYNDFY-UHFFFAOYSA-N -1 1 389.237 1.676 20 0 GDADMM CN1CCN(Cc2ccc(NC(=O)c3csc(CNC(=O)[O-])n3)cc2)CC1 ZINC000739735705 602698869 /nfs/dbraw/zinc/69/88/69/602698869.db2.gz DFPNGXQJQKPBMG-UHFFFAOYSA-N -1 1 389.481 1.910 20 0 GDADMM COc1cc(OC)cc(OS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826181288 607577529 /nfs/dbraw/zinc/57/75/29/607577529.db2.gz STLCWPQAIPLGKU-UHFFFAOYSA-N -1 1 380.357 1.791 20 0 GDADMM COc1cc(OC)cc(OS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826181288 607577531 /nfs/dbraw/zinc/57/75/31/607577531.db2.gz STLCWPQAIPLGKU-UHFFFAOYSA-N -1 1 380.357 1.791 20 0 GDADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000740028822 602711072 /nfs/dbraw/zinc/71/10/72/602711072.db2.gz ZTSKKTNDISLPOT-UHFFFAOYSA-N -1 1 381.352 1.614 20 0 GDADMM CN1CCN(c2cc(C(=O)N[C@H](CNC(=O)[O-])C3CCCCC3)ccn2)CC1 ZINC000739736928 602713912 /nfs/dbraw/zinc/71/39/12/602713912.db2.gz SHMOYRAEDPGCIV-QGZVFWFLSA-N -1 1 389.500 1.780 20 0 GDADMM COCCN(Cc1ccco1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826159533 607585075 /nfs/dbraw/zinc/58/50/75/607585075.db2.gz IYYKZDMEZQRYNT-UHFFFAOYSA-N -1 1 381.389 1.436 20 0 GDADMM Cc1nn(C)c(C)c1CCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826333608 607585820 /nfs/dbraw/zinc/58/58/20/607585820.db2.gz OIBJMWYCLQMGGL-UHFFFAOYSA-N -1 1 395.876 1.391 20 0 GDADMM Cc1nn(C)c(C)c1CCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826333608 607585821 /nfs/dbraw/zinc/58/58/21/607585821.db2.gz OIBJMWYCLQMGGL-UHFFFAOYSA-N -1 1 395.876 1.391 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc3c(c2)[nH]c(=S)n(C)c3=O)C[C@H](C)N1C(=O)[O-] ZINC000739167183 602803684 /nfs/dbraw/zinc/80/36/84/602803684.db2.gz LSZRKMNKTYEHLG-UWVGGRQHSA-N -1 1 376.438 1.435 20 0 GDADMM C[C@H](CC(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1)NC(=O)[O-] ZINC000824672236 602817399 /nfs/dbraw/zinc/81/73/99/602817399.db2.gz UGOINDFUTFZXIL-MRVPVSSYSA-N -1 1 382.218 1.897 20 0 GDADMM C[C@H](CC(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1)NC(=O)[O-] ZINC000824672236 602817401 /nfs/dbraw/zinc/81/74/01/602817401.db2.gz UGOINDFUTFZXIL-MRVPVSSYSA-N -1 1 382.218 1.897 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N(C[C@@H]1CCOC1)C1CC1 ZINC000826495086 607589487 /nfs/dbraw/zinc/58/94/87/607589487.db2.gz CBHYIBGQEMZDDA-JTQLQIEISA-N -1 1 383.861 1.710 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N(C[C@@H]1CCOC1)C1CC1 ZINC000826495086 607589489 /nfs/dbraw/zinc/58/94/89/607589489.db2.gz CBHYIBGQEMZDDA-JTQLQIEISA-N -1 1 383.861 1.710 20 0 GDADMM CC(C)Oc1ncccc1CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824338017 607589729 /nfs/dbraw/zinc/58/97/29/607589729.db2.gz MURYTEMMPACXMQ-UHFFFAOYSA-N -1 1 392.416 1.667 20 0 GDADMM C[N@@H+](CCN1CCN(C(=O)C[C@@H]2CCCN2C(=O)[O-])CC1)Cc1ccccc1 ZINC000828312717 602855916 /nfs/dbraw/zinc/85/59/16/602855916.db2.gz QXTZYILUFNZCMK-IBGZPJMESA-N -1 1 388.512 1.795 20 0 GDADMM COc1ccccc1[C@@H](NC(=O)[O-])C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000739962060 602892314 /nfs/dbraw/zinc/89/23/14/602892314.db2.gz FFAQWXPPDUQWNM-GOSISDBHSA-N -1 1 391.468 1.575 20 0 GDADMM COc1ccccc1[C@H](CNC(=O)N1CCN(C)C[C@H]1C(C)C)NC(=O)[O-] ZINC000739960044 602907005 /nfs/dbraw/zinc/90/70/05/602907005.db2.gz DFQRXVOBISLLLE-HOTGVXAUSA-N -1 1 378.473 1.986 20 0 GDADMM COc1ccc(COC[C@@H](O)CN2C[C@@H](C)N(C(=O)[O-])[C@@H](C)C2)cc1OC ZINC000739904121 602939202 /nfs/dbraw/zinc/93/92/02/602939202.db2.gz UJHCVKNNCDNEAE-LZWOXQAQSA-N -1 1 382.457 1.654 20 0 GDADMM COc1ccc(NC(=O)[O-])c(NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)c1 ZINC000739918106 602950274 /nfs/dbraw/zinc/95/02/74/602950274.db2.gz AEUJCIJYNOFWSG-UHFFFAOYSA-N -1 1 391.405 1.872 20 0 GDADMM CC(C)c1noc(CCCNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)n1 ZINC000824371827 607598807 /nfs/dbraw/zinc/59/88/07/607598807.db2.gz UVTODVPBMHNXLK-UHFFFAOYSA-N -1 1 395.420 1.423 20 0 GDADMM O=C([O-])NC1(c2noc(CCNC(=O)c3n[nH]c4ccccc43)n2)CCCC1 ZINC000740550230 603003781 /nfs/dbraw/zinc/00/37/81/603003781.db2.gz RDQPYKFQTIVIED-UHFFFAOYSA-N -1 1 384.396 1.955 20 0 GDADMM CC[C@@H]1CN(C(=O)[C@H](NC(=O)[O-])c2ccccc2OC)CCN1C[C@@H](C)O ZINC000826675423 603057959 /nfs/dbraw/zinc/05/79/59/603057959.db2.gz KINMIYVNRXBEJK-CKEIUWERSA-N -1 1 379.457 1.308 20 0 GDADMM COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000821665992 607604260 /nfs/dbraw/zinc/60/42/60/607604260.db2.gz POLXFPZRYLXHSH-VIFPVBQESA-N -1 1 385.833 1.094 20 0 GDADMM C[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)C(=O)N1CCCC[C@@H]1C ZINC000824640978 607604347 /nfs/dbraw/zinc/60/43/47/607604347.db2.gz QKEMVYIZVSALJL-WDEREUQCSA-N -1 1 396.448 1.074 20 0 GDADMM CC(C)(C)c1nc([C@H]2CN(C(=O)CC3CCN(C(=O)[O-])CC3)CCO2)n[nH]1 ZINC000823864330 603077824 /nfs/dbraw/zinc/07/78/24/603077824.db2.gz LQGCCIWQIDPIHA-CYBMUJFWSA-N -1 1 379.461 1.782 20 0 GDADMM CC(C)(C)c1nnc([C@H]2CN(C(=O)CC3CCN(C(=O)[O-])CC3)CCO2)[nH]1 ZINC000823864330 603077828 /nfs/dbraw/zinc/07/78/28/603077828.db2.gz LQGCCIWQIDPIHA-CYBMUJFWSA-N -1 1 379.461 1.782 20 0 GDADMM COc1nc(C)cc(C)c1CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826221697 607605435 /nfs/dbraw/zinc/60/54/35/607605435.db2.gz QTGXUKVXBRZGGA-UHFFFAOYSA-N -1 1 392.416 1.505 20 0 GDADMM O=C([O-])NC1(CNC(=O)CCN2CCN(c3ccccn3)CC2)CCCCC1 ZINC000740546636 603091676 /nfs/dbraw/zinc/09/16/76/603091676.db2.gz ZJFOCJRIUGVUHA-UHFFFAOYSA-N -1 1 389.500 1.680 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H](c1ccccc1)N1CCC(O)CC1 ZINC000826467184 607606261 /nfs/dbraw/zinc/60/62/61/607606261.db2.gz KLRMDBRGKDNUDK-SFHVURJKSA-N -1 1 394.435 1.503 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H](c1ccccc1)N1CCC(O)CC1 ZINC000826467183 607606405 /nfs/dbraw/zinc/60/64/05/607606405.db2.gz KLRMDBRGKDNUDK-GOSISDBHSA-N -1 1 394.435 1.503 20 0 GDADMM CN(C(=O)[O-])C1CC[NH+]([C@H]2CC(=O)N(Cc3ccc(C(=O)[O-])cc3)C2=O)CC1 ZINC000739592440 603105153 /nfs/dbraw/zinc/10/51/53/603105153.db2.gz SZRUQQFZVIEGKT-HNNXBMFYSA-N -1 1 389.408 1.087 20 0 GDADMM O=C([O-])NC1CCC(NC(=O)N2CCC(CCN3CCOCC3)CC2)CC1 ZINC000740553603 603150372 /nfs/dbraw/zinc/15/03/72/603150372.db2.gz BCGCIATYAHULAA-UHFFFAOYSA-N -1 1 382.505 1.709 20 0 GDADMM CC(C)[C@@H](NC(=O)[O-])C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 ZINC000824143067 603201504 /nfs/dbraw/zinc/20/15/04/603201504.db2.gz JMFJDPSHLWIFHK-QGZVFWFLSA-N -1 1 378.473 1.544 20 0 GDADMM O=S(=O)(NCCc1ccc(F)cc1F)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826491469 607613896 /nfs/dbraw/zinc/61/38/96/607613896.db2.gz KWHKPPILCLZUKO-UHFFFAOYSA-N -1 1 383.355 1.805 20 0 GDADMM C[C@@H](CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)Oc1ccccc1 ZINC000824426376 607614171 /nfs/dbraw/zinc/61/41/71/607614171.db2.gz DSNOBAVNDWGIOF-NSHDSACASA-N -1 1 377.401 1.752 20 0 GDADMM C[C@@H](CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)Oc1ccccc1 ZINC000824426376 607614172 /nfs/dbraw/zinc/61/41/72/607614172.db2.gz DSNOBAVNDWGIOF-NSHDSACASA-N -1 1 377.401 1.752 20 0 GDADMM CN1CCN(c2ncccc2CNC(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)CC1 ZINC000739735948 603248424 /nfs/dbraw/zinc/24/84/24/603248424.db2.gz HGEDENRYYJCOCK-GOEBONIOSA-N -1 1 375.473 1.276 20 0 GDADMM O=S(=O)(NCCc1ccc2c(c1)CCO2)c1cccc(F)c1-c1nnn[n-]1 ZINC000826491357 607618203 /nfs/dbraw/zinc/61/82/03/607618203.db2.gz FXTWHSNRNRUFAO-UHFFFAOYSA-N -1 1 389.412 1.462 20 0 GDADMM O=S(=O)(NCCc1ccc2c(c1)CCO2)c1cccc(F)c1-c1nn[n-]n1 ZINC000826491357 607618205 /nfs/dbraw/zinc/61/82/05/607618205.db2.gz FXTWHSNRNRUFAO-UHFFFAOYSA-N -1 1 389.412 1.462 20 0 GDADMM Cc1nc(CN2CCN(C(=O)[C@H](NC(=O)[O-])c3cccc(Cl)c3)CC2)n[nH]1 ZINC000740217766 603317825 /nfs/dbraw/zinc/31/78/25/603317825.db2.gz CKOVBDBVKSWAMQ-OAHLLOKOSA-N -1 1 392.847 1.420 20 0 GDADMM Cn1cc(N2CCC[C@H](N3CCC[C@H]([C@@H]4CCCN4C(=O)[O-])C3)C2=O)cn1 ZINC000740292127 603332908 /nfs/dbraw/zinc/33/29/08/603332908.db2.gz RIKLXLXPQQLGIW-XIRDDKMYSA-N -1 1 375.473 1.770 20 0 GDADMM O=S(=O)(N[C@H](CO)c1ccccc1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826487190 607623677 /nfs/dbraw/zinc/62/36/77/607623677.db2.gz HIYYVAFMBLQMGY-GFCCVEGCSA-N -1 1 379.829 1.532 20 0 GDADMM O=S(=O)(N[C@H](CO)c1ccccc1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826487190 607623679 /nfs/dbraw/zinc/62/36/79/607623679.db2.gz HIYYVAFMBLQMGY-GFCCVEGCSA-N -1 1 379.829 1.532 20 0 GDADMM COc1ccc(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1O ZINC000826203659 607624993 /nfs/dbraw/zinc/62/49/93/607624993.db2.gz ZZIUMYXTPYSBNU-UHFFFAOYSA-N -1 1 379.373 1.199 20 0 GDADMM O=S(=O)(NC[C@H](O)C1CCCCC1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826489389 607627358 /nfs/dbraw/zinc/62/73/58/607627358.db2.gz OFURASDJBFABPG-LBPRGKRZSA-N -1 1 385.877 1.740 20 0 GDADMM O=S(=O)(NC[C@H](O)C1CCCCC1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826489389 607627359 /nfs/dbraw/zinc/62/73/59/607627359.db2.gz OFURASDJBFABPG-LBPRGKRZSA-N -1 1 385.877 1.740 20 0 GDADMM C[C@@H]1CN(CC(=O)N2CCN(Cc3cccs3)CC2)CC[C@H]1NC(=O)[O-] ZINC000739174525 603414020 /nfs/dbraw/zinc/41/40/20/603414020.db2.gz PAGVAHPSEPMPHP-GDBMZVCRSA-N -1 1 380.514 1.370 20 0 GDADMM C[C@H](Cc1cccc(O)c1)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824457305 607627915 /nfs/dbraw/zinc/62/79/15/607627915.db2.gz JMYIPHCBMBBGGF-SNVBAGLBSA-N -1 1 377.401 1.621 20 0 GDADMM C[C@H](Cc1cccc(O)c1)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824457305 607627916 /nfs/dbraw/zinc/62/79/16/607627916.db2.gz JMYIPHCBMBBGGF-SNVBAGLBSA-N -1 1 377.401 1.621 20 0 GDADMM O=C([O-])NC[C@@H](C(=O)N1CCCN(C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000832404282 603427520 /nfs/dbraw/zinc/42/75/20/603427520.db2.gz ZSPKRNPOXIVUKO-ZWKOTPCHSA-N -1 1 375.469 1.751 20 0 GDADMM C[C@](CO)(NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)c1ccccc1 ZINC000824433511 607629005 /nfs/dbraw/zinc/62/90/05/607629005.db2.gz GEOIDKBLSLXKQP-MRXNPFEDSA-N -1 1 393.856 1.706 20 0 GDADMM C[C@](CO)(NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)c1ccccc1 ZINC000824433511 607629007 /nfs/dbraw/zinc/62/90/07/607629007.db2.gz GEOIDKBLSLXKQP-MRXNPFEDSA-N -1 1 393.856 1.706 20 0 GDADMM C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N(C)C1CCC(NC(=O)[O-])CC1 ZINC000825459899 603470608 /nfs/dbraw/zinc/47/06/08/603470608.db2.gz SRECROGUHYHJRH-HIFPTAJRSA-N -1 1 387.440 1.718 20 0 GDADMM O=S(=O)(N[C@H]1CCc2c1cccc2O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826489052 607631514 /nfs/dbraw/zinc/63/15/14/607631514.db2.gz GRUGLWDLTPRAIR-LBPRGKRZSA-N -1 1 375.385 1.677 20 0 GDADMM O=S(=O)(N[C@H]1CCc2c1cccc2O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826489052 607631515 /nfs/dbraw/zinc/63/15/15/607631515.db2.gz GRUGLWDLTPRAIR-LBPRGKRZSA-N -1 1 375.385 1.677 20 0 GDADMM CCN1CCN(c2ccc(CNC(=O)[C@H]3CC[C@@H](NC(=O)[O-])C3)cn2)CC1 ZINC000827229268 603483690 /nfs/dbraw/zinc/48/36/90/603483690.db2.gz ZBORIJBCWIKYBZ-JKSUJKDBSA-N -1 1 375.473 1.276 20 0 GDADMM O=C([O-])N[C@@H](CC(=O)N[C@@H](c1nn[nH]n1)c1ccccc1)Cc1ccccc1 ZINC000832099462 603509059 /nfs/dbraw/zinc/50/90/59/603509059.db2.gz NRUIUYJKVHZRTB-NVXWUHKLSA-N -1 1 380.408 1.674 20 0 GDADMM CCOC(=O)[C@@H]1CCCN(C(=O)CN2CCC(CN(CC)C(=O)[O-])CC2)C1 ZINC000827297573 603511880 /nfs/dbraw/zinc/51/18/80/603511880.db2.gz KPOXLJJBMLCZLS-MRXNPFEDSA-N -1 1 383.489 1.500 20 0 GDADMM O=C([O-])Nc1ccc(CNCCNS(=O)(=O)c2cccc(Cl)c2)cn1 ZINC000832841782 603545973 /nfs/dbraw/zinc/54/59/73/603545973.db2.gz GVMDJMMZHSATTF-UHFFFAOYSA-N -1 1 384.845 1.893 20 0 GDADMM Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNCC(C)(C)NC(=O)[O-] ZINC000830865910 603577617 /nfs/dbraw/zinc/57/76/17/603577617.db2.gz QPQFUPIJWIPENX-SNVBAGLBSA-N -1 1 378.882 1.340 20 0 GDADMM CCCCNC(=O)[C@@H]1CC[C@H](C)N(CN2CC3(CN(C(=O)[O-])C3)CC2=O)C1 ZINC000826836679 603585994 /nfs/dbraw/zinc/58/59/94/603585994.db2.gz OTUKHWLNDRAUKU-LSDHHAIUSA-N -1 1 380.489 1.173 20 0 GDADMM O=S(=O)(NCC[C@H](O)C(F)(F)F)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826491209 607638873 /nfs/dbraw/zinc/63/88/73/607638873.db2.gz YCEOEUOXNHLVEQ-QMMMGPOBSA-N -1 1 385.755 1.112 20 0 GDADMM O=C([O-])NC[C@H](NC(=O)N1CCN(C[C@H]2CCOC2)CC1)C1CCCCC1 ZINC000832420887 603656345 /nfs/dbraw/zinc/65/63/45/603656345.db2.gz HXULDETXPOKSBF-WBVHZDCISA-N -1 1 382.505 1.567 20 0 GDADMM O=S(=O)(N[C@@H](CCO)c1cccs1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826487239 607643293 /nfs/dbraw/zinc/64/32/93/607643293.db2.gz ILPKBIKJHWSYMY-NSHDSACASA-N -1 1 383.430 1.469 20 0 GDADMM C[C@@H]1CN(CCCNC(=O)C(=O)Nc2cccc(CNC(=O)[O-])c2)C[C@H](C)O1 ZINC000826057396 603690035 /nfs/dbraw/zinc/69/00/35/603690035.db2.gz ILDGUHRIVYMMCS-OKILXGFUSA-N -1 1 392.456 1.008 20 0 GDADMM O=C([O-])NC[C@@H]1CCCN1C(=O)NCCN1CCN(Cc2ccccc2)CC1 ZINC000832551899 603705861 /nfs/dbraw/zinc/70/58/61/603705861.db2.gz VXVCQOAATKSKSF-SFHVURJKSA-N -1 1 389.500 1.246 20 0 GDADMM C[C@@H](NC(=O)CCN1CCN(c2ccccn2)CC1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000825116233 603728909 /nfs/dbraw/zinc/72/89/09/603728909.db2.gz ZKSJZWQFZMDIKP-IAGOWNOFSA-N -1 1 389.500 1.488 20 0 GDADMM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000831274500 603731312 /nfs/dbraw/zinc/73/13/12/603731312.db2.gz XAMDXZDRLTZRIH-HUUCEWRRSA-N -1 1 385.424 1.291 20 0 GDADMM CCN(CC1CCN(C(=O)c2ccnc(N3CCN(C)CC3)c2)CC1)C(=O)[O-] ZINC000827083902 603757059 /nfs/dbraw/zinc/75/70/59/603757059.db2.gz JULJTEXDUGEBAA-UHFFFAOYSA-N -1 1 389.500 1.686 20 0 GDADMM CC(=O)Nc1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)c(F)c1 ZINC000823999519 607653597 /nfs/dbraw/zinc/65/35/97/607653597.db2.gz DPXKSCYMRQATOH-UHFFFAOYSA-N -1 1 395.347 1.871 20 0 GDADMM CC(=O)Nc1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c(F)c1 ZINC000823999519 607653599 /nfs/dbraw/zinc/65/35/99/607653599.db2.gz DPXKSCYMRQATOH-UHFFFAOYSA-N -1 1 395.347 1.871 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCOC[C@@H]1c1ccccc1 ZINC000826495193 607656739 /nfs/dbraw/zinc/65/67/39/607656739.db2.gz GXBRLUMYGRNPIQ-OAHLLOKOSA-N -1 1 389.412 1.768 20 0 GDADMM O=C([O-])NC[C@@H]1CCCC[C@]12NC(=O)N(CN1C[C@@H]3CCCC[C@H]3C1)C2=O ZINC000832497311 603925062 /nfs/dbraw/zinc/92/50/62/603925062.db2.gz CMAAUTRMZDUZPD-XLPNERPQSA-N -1 1 378.473 1.814 20 0 GDADMM CC[C@](C)(CC(=O)OC)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825044011 607662367 /nfs/dbraw/zinc/66/23/67/607662367.db2.gz LUGGVPOXFFAYEE-CQSZACIVSA-N -1 1 387.849 1.530 20 0 GDADMM CC[C@](C)(CC(=O)OC)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825044011 607662369 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O=C(C[C@@H]1CSCCN1C(=O)[O-])NC1CCN(Cc2ccncc2)CC1 ZINC000831409920 605616007 /nfs/dbraw/zinc/61/60/07/605616007.db2.gz YEQNNCHKHIALBT-MRXNPFEDSA-N -1 1 378.498 1.648 20 0 GDADMM O=C([O-])N1CCC[C@@H](NC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)C1 ZINC000831591595 605624159 /nfs/dbraw/zinc/62/41/59/605624159.db2.gz LGIQLQGQSAWTCB-KZNAEPCWSA-N -1 1 390.484 1.311 20 0 GDADMM CCCN(C(=O)CN(C)c1ncnc2[nH]cnc21)C1CCN(C(=O)[O-])CC1 ZINC000826862405 605818079 /nfs/dbraw/zinc/81/80/79/605818079.db2.gz HAGHNDIAWUIHCK-UHFFFAOYSA-N -1 1 375.433 1.170 20 0 GDADMM O=C([O-])N1CCc2ncc(NS(=O)(=O)c3ccc4c(c3)CCO4)cc2C1 ZINC000834122315 605878545 /nfs/dbraw/zinc/87/85/45/605878545.db2.gz YNAYRLCLJMEINL-UHFFFAOYSA-N -1 1 375.406 1.853 20 0 GDADMM CC(C)CN1CCO[C@H](CNC(=O)C(=O)Nc2cc(F)c(F)cc2C(=O)[O-])C1 ZINC000833489140 605882596 /nfs/dbraw/zinc/88/25/96/605882596.db2.gz WKWWTTSTWCPXMT-LLVKDONJSA-N -1 1 399.394 1.075 20 0 GDADMM C[C@@H]1C[C@@H](CNC(=O)[O-])CN1CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000833830912 605896993 /nfs/dbraw/zinc/89/69/93/605896993.db2.gz LIGPJHUVHGAUIT-JLZSUIFSSA-N -1 1 392.500 1.759 20 0 GDADMM O=C([O-])N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(c2nc[nH]n2)CC1 ZINC000834252630 605943409 /nfs/dbraw/zinc/94/34/09/605943409.db2.gz OBQMABLOKPNTRN-INIZCTEOSA-N -1 1 382.424 1.871 20 0 GDADMM CC[C@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CC[C@@H]1c1ccccc1 ZINC000820995306 606038442 /nfs/dbraw/zinc/03/84/42/606038442.db2.gz PIXMEQLFENYPQP-ZFWWWQNUSA-N -1 1 395.467 1.284 20 0 GDADMM O=C([O-])Nc1cnc(C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cn1 ZINC000834279061 606061657 /nfs/dbraw/zinc/06/16/57/606061657.db2.gz HQPCJICPFDJXDU-GDBMZVCRSA-N -1 1 385.424 1.179 20 0 GDADMM Cc1oc(NC(=O)[C@H](C)N(C)Cc2nnc3ccccn32)c(-c2nn[n-]n2)c1C ZINC000822541686 606080008 /nfs/dbraw/zinc/08/00/08/606080008.db2.gz PMVSSGAABJMUCP-NSHDSACASA-N -1 1 395.427 1.578 20 0 GDADMM C[C@@H]1Oc2ccc(C(=O)COC(=O)c3ccc(-c4nnn[n-]4)s3)cc2NC1=O ZINC000820818917 606132169 /nfs/dbraw/zinc/13/21/69/606132169.db2.gz CLWLEKCKRANCTG-QMMMGPOBSA-N -1 1 399.388 1.687 20 0 GDADMM C[C@@H]1Oc2ccc(C(=O)COC(=O)c3ccc(-c4nn[n-]n4)s3)cc2NC1=O ZINC000820818917 606132171 /nfs/dbraw/zinc/13/21/71/606132171.db2.gz CLWLEKCKRANCTG-QMMMGPOBSA-N -1 1 399.388 1.687 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000823396932 606136130 /nfs/dbraw/zinc/13/61/30/606136130.db2.gz PELFFWWPYNGZTE-GHMZBOCLSA-N -1 1 377.426 1.255 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000823396932 606136131 /nfs/dbraw/zinc/13/61/31/606136131.db2.gz PELFFWWPYNGZTE-GHMZBOCLSA-N -1 1 377.426 1.255 20 0 GDADMM C[C@@H]1[C@@H](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820642562 606144396 /nfs/dbraw/zinc/14/43/96/606144396.db2.gz KFQXCPSRIQMMIE-UKRRQHHQSA-N -1 1 384.465 1.904 20 0 GDADMM C[C@@H]1[C@@H](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820642562 606144397 /nfs/dbraw/zinc/14/43/97/606144397.db2.gz KFQXCPSRIQMMIE-UKRRQHHQSA-N -1 1 384.465 1.904 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCCC[C@@H]1c1nccs1 ZINC000823600008 606147054 /nfs/dbraw/zinc/14/70/54/606147054.db2.gz BUHLMKZMRDPIPQ-GFCCVEGCSA-N -1 1 377.455 1.634 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCCC[C@@H]1c1nccs1 ZINC000823600008 606147056 /nfs/dbraw/zinc/14/70/56/606147056.db2.gz BUHLMKZMRDPIPQ-GFCCVEGCSA-N -1 1 377.455 1.634 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2csc(Br)c2)n1 ZINC000822620501 606160066 /nfs/dbraw/zinc/16/00/66/606160066.db2.gz UEZVCUBBTKIARW-UHFFFAOYSA-N -1 1 383.235 1.746 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2csc(Br)c2)n1 ZINC000822620501 606160067 /nfs/dbraw/zinc/16/00/67/606160067.db2.gz UEZVCUBBTKIARW-UHFFFAOYSA-N -1 1 383.235 1.746 20 0 GDADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc(N2CCOC2=O)cc1 ZINC000820380468 606163729 /nfs/dbraw/zinc/16/37/29/606163729.db2.gz UIIXQVKZKQHIDU-JTQLQIEISA-N -1 1 397.399 1.440 20 0 GDADMM C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc(N2CCOC2=O)cc1 ZINC000820380468 606163731 /nfs/dbraw/zinc/16/37/31/606163731.db2.gz UIIXQVKZKQHIDU-JTQLQIEISA-N -1 1 397.399 1.440 20 0 GDADMM Cc1c(CS(C)(=O)=O)cccc1NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000822035642 606164042 /nfs/dbraw/zinc/16/40/42/606164042.db2.gz XUKQZJVSABANHE-UHFFFAOYSA-N -1 1 390.429 1.097 20 0 GDADMM Cc1c(CS(C)(=O)=O)cccc1NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000822035642 606164043 /nfs/dbraw/zinc/16/40/43/606164043.db2.gz XUKQZJVSABANHE-UHFFFAOYSA-N -1 1 390.429 1.097 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCCC(=O)N2Cc3ccccc3C2)n1 ZINC000822615000 606164153 /nfs/dbraw/zinc/16/41/53/606164153.db2.gz ZHQXKVNMYONUIZ-UHFFFAOYSA-N -1 1 395.427 1.044 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCCC(=O)N2Cc3ccccc3C2)n1 ZINC000822615000 606164155 /nfs/dbraw/zinc/16/41/55/606164155.db2.gz ZHQXKVNMYONUIZ-UHFFFAOYSA-N -1 1 395.427 1.044 20 0 GDADMM O=C1[C@H](Nc2cc(-c3nnn[n-]3)nc3ccccc32)CCN1C1CCOCC1 ZINC000823514324 606166957 /nfs/dbraw/zinc/16/69/57/606166957.db2.gz ZCTKEUZJWGDIJY-OAHLLOKOSA-N -1 1 379.424 1.029 20 0 GDADMM O=C1[C@H](Nc2cc(-c3nn[n-]n3)nc3ccccc32)CCN1C1CCOCC1 ZINC000823514324 606166959 /nfs/dbraw/zinc/16/69/59/606166959.db2.gz ZCTKEUZJWGDIJY-OAHLLOKOSA-N -1 1 379.424 1.029 20 0 GDADMM C[C@H](CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)Oc1ccc(Cl)cc1 ZINC000820270022 606169171 /nfs/dbraw/zinc/16/91/71/606169171.db2.gz SEWNGBIBQBGHOA-SECBINFHSA-N -1 1 376.808 1.843 20 0 GDADMM C[C@H](CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)Oc1ccc(Cl)cc1 ZINC000820270022 606169173 /nfs/dbraw/zinc/16/91/73/606169173.db2.gz SEWNGBIBQBGHOA-SECBINFHSA-N -1 1 376.808 1.843 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)n1 ZINC000822613985 606173440 /nfs/dbraw/zinc/17/34/40/606173440.db2.gz HKEDOSNFPMUXOH-LLVKDONJSA-N -1 1 397.226 1.762 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)n1 ZINC000822613985 606173442 /nfs/dbraw/zinc/17/34/42/606173442.db2.gz HKEDOSNFPMUXOH-LLVKDONJSA-N -1 1 397.226 1.762 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@H](O)c2ccc(C(C)(C)C)cc2)n1 ZINC000822614581 606173551 /nfs/dbraw/zinc/17/35/51/606173551.db2.gz NZUDWEJNQVJECS-AWEZNQCLSA-N -1 1 384.444 1.753 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@H](O)c2ccc(C(C)(C)C)cc2)n1 ZINC000822614581 606173552 /nfs/dbraw/zinc/17/35/52/606173552.db2.gz NZUDWEJNQVJECS-AWEZNQCLSA-N -1 1 384.444 1.753 20 0 GDADMM O=C(COc1cccc(NC(=O)C2CC2)c1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823044038 606197452 /nfs/dbraw/zinc/19/74/52/606197452.db2.gz OYOZPUQYRNDGJT-UHFFFAOYSA-N -1 1 394.391 1.938 20 0 GDADMM C[C@@H](C(=O)OC(C)(C)C)N(C)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000819883737 606201990 /nfs/dbraw/zinc/20/19/90/606201990.db2.gz LSSZTQLOBWOZKP-VIFPVBQESA-N -1 1 385.421 1.357 20 0 GDADMM c1ccc(OCCN2CCOCC2)c(CNc2cccc(-c3nn[n-]n3)n2)c1 ZINC000823757655 606216159 /nfs/dbraw/zinc/21/61/59/606216159.db2.gz SPJABXMDZVFINI-UHFFFAOYSA-N -1 1 381.440 1.585 20 0 GDADMM Cc1nsc(N(C)C(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c1-c1nnn[n-]1 ZINC000822531287 606238821 /nfs/dbraw/zinc/23/88/21/606238821.db2.gz YCMYCGDHFJCOJR-VIFPVBQESA-N -1 1 397.420 1.279 20 0 GDADMM Cc1nsc(N(C)C(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c1-c1nn[n-]n1 ZINC000822531287 606238823 /nfs/dbraw/zinc/23/88/23/606238823.db2.gz YCMYCGDHFJCOJR-VIFPVBQESA-N -1 1 397.420 1.279 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000823289088 606293576 /nfs/dbraw/zinc/29/35/76/606293576.db2.gz AUUWIDNPPXNXGN-CQSZACIVSA-N -1 1 393.407 1.458 20 0 GDADMM CC[C@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)Oc1ccccc1F ZINC000820908708 606404148 /nfs/dbraw/zinc/40/41/48/606404148.db2.gz PNKMRCBGSRCEHH-LLVKDONJSA-N -1 1 392.416 1.537 20 0 GDADMM CC[C@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)Oc1ccccc1F ZINC000820908708 606404149 /nfs/dbraw/zinc/40/41/49/606404149.db2.gz PNKMRCBGSRCEHH-LLVKDONJSA-N -1 1 392.416 1.537 20 0 GDADMM CN1C(=O)N[C@]2(CCC[C@@H]2CNc2cc(-c3nnn[n-]3)nc3ccccc32)C1=O ZINC000821620566 606423125 /nfs/dbraw/zinc/42/31/25/606423125.db2.gz OXEMDKCEAFJSDG-WYRIXSBYSA-N -1 1 392.423 1.547 20 0 GDADMM CN1C(=O)N[C@]2(CCC[C@@H]2CNc2cc(-c3nn[n-]n3)nc3ccccc32)C1=O ZINC000821620566 606423126 /nfs/dbraw/zinc/42/31/26/606423126.db2.gz OXEMDKCEAFJSDG-WYRIXSBYSA-N -1 1 392.423 1.547 20 0 GDADMM Cc1nc(-c2cccnc2)nc(NCCCc2[nH]nc(N)c2-c2nn[n-]n2)c1C ZINC000822423487 606441521 /nfs/dbraw/zinc/44/15/21/606441521.db2.gz LHPVBVZLYNTQND-UHFFFAOYSA-N -1 1 391.443 1.686 20 0 GDADMM CC(C)S(=O)(=O)N1CC[C@@H](Nc2ccc(Cl)c(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC000820770143 606473250 /nfs/dbraw/zinc/47/32/50/606473250.db2.gz YYSJSQPPIBRNON-CMPLNLGQSA-N -1 1 399.908 1.776 20 0 GDADMM CC(C)S(=O)(=O)N1CC[C@@H](Nc2ccc(Cl)c(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC000820770143 606473251 /nfs/dbraw/zinc/47/32/51/606473251.db2.gz YYSJSQPPIBRNON-CMPLNLGQSA-N -1 1 399.908 1.776 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCCC[C@H]2Cc2ccc(F)cc2)n(C)c1=O ZINC000822601434 606476078 /nfs/dbraw/zinc/47/60/78/606476078.db2.gz ZRNFAFWVLAFOSY-AWEZNQCLSA-N -1 1 399.430 1.005 20 0 GDADMM CN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821588163 606487411 /nfs/dbraw/zinc/48/74/11/606487411.db2.gz FKUOBGCKRYSBAH-UHFFFAOYSA-N -1 1 378.439 1.431 20 0 GDADMM CN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821588163 606487412 /nfs/dbraw/zinc/48/74/12/606487412.db2.gz FKUOBGCKRYSBAH-UHFFFAOYSA-N -1 1 378.439 1.431 20 0 GDADMM O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823166946 606493131 /nfs/dbraw/zinc/49/31/31/606493131.db2.gz UQNZJUHLSHBLPC-NSHDSACASA-N -1 1 390.494 1.793 20 0 GDADMM O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823166946 606493133 /nfs/dbraw/zinc/49/31/33/606493133.db2.gz UQNZJUHLSHBLPC-NSHDSACASA-N -1 1 390.494 1.793 20 0 GDADMM O=C(NCCCS(=O)(=O)Cc1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823198088 606527285 /nfs/dbraw/zinc/52/72/85/606527285.db2.gz YZVLOKZRZYQIQA-UHFFFAOYSA-N -1 1 391.478 1.663 20 0 GDADMM O=C(NCCCS(=O)(=O)Cc1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823198088 606527286 /nfs/dbraw/zinc/52/72/86/606527286.db2.gz YZVLOKZRZYQIQA-UHFFFAOYSA-N -1 1 391.478 1.663 20 0 GDADMM CNS(=O)(=O)c1ccc([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821637561 606547211 /nfs/dbraw/zinc/54/72/11/606547211.db2.gz LEOMWIPAKMHVKC-VIFPVBQESA-N -1 1 392.466 1.327 20 0 GDADMM CNS(=O)(=O)c1ccc([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821637561 606547213 /nfs/dbraw/zinc/54/72/13/606547213.db2.gz LEOMWIPAKMHVKC-VIFPVBQESA-N -1 1 392.466 1.327 20 0 GDADMM CCN1C(=S)N=NC1[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)C1 ZINC000821563696 606553552 /nfs/dbraw/zinc/55/35/52/606553552.db2.gz AOBVWKLZGGNWCV-SECBINFHSA-N -1 1 390.498 1.848 20 0 GDADMM CCN1C(=S)N=NC1[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)s2)C1 ZINC000821563696 606553554 /nfs/dbraw/zinc/55/35/54/606553554.db2.gz AOBVWKLZGGNWCV-SECBINFHSA-N -1 1 390.498 1.848 20 0 GDADMM CN(Cc1ccc(S(C)(=O)=O)cc1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821610880 606571226 /nfs/dbraw/zinc/57/12/26/606571226.db2.gz IWPGZPGRIIWORW-UHFFFAOYSA-N -1 1 377.451 1.604 20 0 GDADMM CN(Cc1ccc(S(C)(=O)=O)cc1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821610880 606571228 /nfs/dbraw/zinc/57/12/28/606571228.db2.gz IWPGZPGRIIWORW-UHFFFAOYSA-N -1 1 377.451 1.604 20 0 GDADMM O=C(N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823144553 606578623 /nfs/dbraw/zinc/57/86/23/606578623.db2.gz IJONDOISUSOKMG-MGPQQGTHSA-N -1 1 394.460 1.815 20 0 GDADMM O=C(N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823144553 606578624 /nfs/dbraw/zinc/57/86/24/606578624.db2.gz IJONDOISUSOKMG-MGPQQGTHSA-N -1 1 394.460 1.815 20 0 GDADMM CC(C)S(=O)(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)s2)[C@H](C)C1 ZINC000820766222 606584587 /nfs/dbraw/zinc/58/45/87/606584587.db2.gz ARDPVDLOCNLMHI-MNOVXSKESA-N -1 1 398.514 1.107 20 0 GDADMM CC(C)S(=O)(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)s2)[C@H](C)C1 ZINC000820766222 606584589 /nfs/dbraw/zinc/58/45/89/606584589.db2.gz ARDPVDLOCNLMHI-MNOVXSKESA-N -1 1 398.514 1.107 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC000823482925 606623690 /nfs/dbraw/zinc/62/36/90/606623690.db2.gz CGZRSJFSEKJJDZ-MNOVXSKESA-N -1 1 391.478 1.954 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC000823482925 606623692 /nfs/dbraw/zinc/62/36/92/606623692.db2.gz CGZRSJFSEKJJDZ-MNOVXSKESA-N -1 1 391.478 1.954 20 0 GDADMM CCC1(COC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)COC1 ZINC000820967467 606628765 /nfs/dbraw/zinc/62/87/65/606628765.db2.gz PJZBQLYMYNYHCN-UHFFFAOYSA-N -1 1 385.428 1.429 20 0 GDADMM CCC1(COC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)COC1 ZINC000820967467 606628766 /nfs/dbraw/zinc/62/87/66/606628766.db2.gz PJZBQLYMYNYHCN-UHFFFAOYSA-N -1 1 385.428 1.429 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H](c2ccc(F)cc2)C(C)(C)C)n(C)c1=O ZINC000822600663 606643793 /nfs/dbraw/zinc/64/37/93/606643793.db2.gz OYKVZDRYROXBNM-ZDUSSCGKSA-N -1 1 387.419 1.603 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1nn(-c2ccc(F)cc2)ccc1=O ZINC000823440443 606647576 /nfs/dbraw/zinc/64/75/76/606647576.db2.gz UBPSEZSEZVPKIE-UHFFFAOYSA-N -1 1 393.338 1.304 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1nn(-c2ccc(F)cc2)ccc1=O ZINC000823440443 606647577 /nfs/dbraw/zinc/64/75/77/606647577.db2.gz UBPSEZSEZVPKIE-UHFFFAOYSA-N -1 1 393.338 1.304 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@H](C(=O)OCc2ccnc(-c3nnn[n-]3)c2)C1 ZINC000819933100 606647840 /nfs/dbraw/zinc/64/78/40/606647840.db2.gz FVOJUHCHEITDAV-ZDUSSCGKSA-N -1 1 388.428 1.952 20 0 GDADMM CC(C)(C)OC(=O)N1CCC[C@H](C(=O)OCc2ccnc(-c3nn[n-]n3)c2)C1 ZINC000819933100 606647841 /nfs/dbraw/zinc/64/78/41/606647841.db2.gz FVOJUHCHEITDAV-ZDUSSCGKSA-N -1 1 388.428 1.952 20 0 GDADMM Cc1cccc([C@@H](CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)NC(N)=O)c1 ZINC000822288719 606651265 /nfs/dbraw/zinc/65/12/65/606651265.db2.gz HNXQGSMMIBWRHI-CQSZACIVSA-N -1 1 381.396 1.413 20 0 GDADMM Cc1cccc([C@@H](CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)NC(N)=O)c1 ZINC000822288719 606651266 /nfs/dbraw/zinc/65/12/66/606651266.db2.gz HNXQGSMMIBWRHI-CQSZACIVSA-N -1 1 381.396 1.413 20 0 GDADMM Cc1ccc(CN2C(=O)CC[C@H]2C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000822236998 606652106 /nfs/dbraw/zinc/65/21/06/606652106.db2.gz AAVGODUYTNHSGC-KRWDZBQOSA-N -1 1 392.419 1.805 20 0 GDADMM Cc1ccc(CN2C(=O)CC[C@H]2C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000822236998 606652107 /nfs/dbraw/zinc/65/21/07/606652107.db2.gz AAVGODUYTNHSGC-KRWDZBQOSA-N -1 1 392.419 1.805 20 0 GDADMM COCCN(CC(=O)OCc1ccnc(-c2nnn[n-]2)c1)C(=O)OC(C)(C)C ZINC000821689171 606652586 /nfs/dbraw/zinc/65/25/86/606652586.db2.gz NXIQKULPDLUXAY-UHFFFAOYSA-N -1 1 392.416 1.188 20 0 GDADMM COCCN(CC(=O)OCc1ccnc(-c2nn[n-]n2)c1)C(=O)OC(C)(C)C ZINC000821689171 606652587 /nfs/dbraw/zinc/65/25/87/606652587.db2.gz NXIQKULPDLUXAY-UHFFFAOYSA-N -1 1 392.416 1.188 20 0 GDADMM COc1ccc([C@@H](CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)NC(C)=O)cc1 ZINC000821777526 606653671 /nfs/dbraw/zinc/65/36/71/606653671.db2.gz HFIWVHDHXQPTLL-MRXNPFEDSA-N -1 1 396.407 1.581 20 0 GDADMM COc1ccc([C@@H](CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)NC(C)=O)cc1 ZINC000821777526 606653672 /nfs/dbraw/zinc/65/36/72/606653672.db2.gz HFIWVHDHXQPTLL-MRXNPFEDSA-N -1 1 396.407 1.581 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC[C@]1(C)CCCO1 ZINC000822459875 606688256 /nfs/dbraw/zinc/68/82/56/606688256.db2.gz ZTWIIZKEPWILGB-SFHVURJKSA-N -1 1 384.444 1.144 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC[C@]1(C)CCCO1 ZINC000822459875 606688257 /nfs/dbraw/zinc/68/82/57/606688257.db2.gz ZTWIIZKEPWILGB-SFHVURJKSA-N -1 1 384.444 1.144 20 0 GDADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1noc(-c2ccccc2)n1 ZINC000820447555 606737488 /nfs/dbraw/zinc/73/74/88/606737488.db2.gz ZPHIFVKXRDMXFI-SNVBAGLBSA-N -1 1 398.408 1.351 20 0 GDADMM C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c2ccccc2O1 ZINC000820766622 606764646 /nfs/dbraw/zinc/76/46/46/606764646.db2.gz BYEZVWVUWUUALN-SNVBAGLBSA-N -1 1 375.385 1.982 20 0 GDADMM CCCc1nc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cs1 ZINC000821142706 606778419 /nfs/dbraw/zinc/77/84/19/606778419.db2.gz MEOIIISHTGFNQL-GFCCVEGCSA-N -1 1 385.501 1.776 20 0 GDADMM CCCc1nc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cs1 ZINC000821142706 606778421 /nfs/dbraw/zinc/77/84/21/606778421.db2.gz MEOIIISHTGFNQL-GFCCVEGCSA-N -1 1 385.501 1.776 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1nc2ccccc2s1 ZINC000820803976 606778951 /nfs/dbraw/zinc/77/89/51/606778951.db2.gz KNTMYLRDIZFTOH-LBPRGKRZSA-N -1 1 393.480 1.977 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1nc2ccccc2s1 ZINC000820803976 606778952 /nfs/dbraw/zinc/77/89/52/606778952.db2.gz KNTMYLRDIZFTOH-LBPRGKRZSA-N -1 1 393.480 1.977 20 0 GDADMM C[C@H](Cc1ccco1)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820301684 606786421 /nfs/dbraw/zinc/78/64/21/606786421.db2.gz ZGZHPZDZDZKUPR-OLZOCXBDSA-N -1 1 397.443 1.101 20 0 GDADMM C[C@H](Cc1ccco1)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820301684 606786423 /nfs/dbraw/zinc/78/64/23/606786423.db2.gz ZGZHPZDZDZKUPR-OLZOCXBDSA-N -1 1 397.443 1.101 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCc1ccsc1 ZINC000820789100 606786619 /nfs/dbraw/zinc/78/66/19/606786619.db2.gz VNLBPFQZHYFLPA-LBPRGKRZSA-N -1 1 399.484 1.181 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCc1ccsc1 ZINC000820789100 606786620 /nfs/dbraw/zinc/78/66/20/606786620.db2.gz VNLBPFQZHYFLPA-LBPRGKRZSA-N -1 1 399.484 1.181 20 0 GDADMM CCCCC[C@H](C)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821049861 606787050 /nfs/dbraw/zinc/78/70/50/606787050.db2.gz NKHLGJRBMKLYQF-KBPBESRZSA-N -1 1 387.492 1.846 20 0 GDADMM CCCCC[C@H](C)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821049861 606787052 /nfs/dbraw/zinc/78/70/52/606787052.db2.gz NKHLGJRBMKLYQF-KBPBESRZSA-N -1 1 387.492 1.846 20 0 GDADMM Cc1nc(C)c(C)c(N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)n1 ZINC000822427578 606787403 /nfs/dbraw/zinc/78/74/03/606787403.db2.gz PLFQHVKYBKPUGU-UHFFFAOYSA-N -1 1 381.444 1.774 20 0 GDADMM CCCCC[C@H](C)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821049863 606787564 /nfs/dbraw/zinc/78/75/64/606787564.db2.gz NKHLGJRBMKLYQF-UONOGXRCSA-N -1 1 387.492 1.846 20 0 GDADMM CCCCC[C@H](C)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821049863 606787565 /nfs/dbraw/zinc/78/75/65/606787565.db2.gz NKHLGJRBMKLYQF-UONOGXRCSA-N -1 1 387.492 1.846 20 0 GDADMM C[C@H](CNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)C(C)(C)C ZINC000820789223 606792380 /nfs/dbraw/zinc/79/23/80/606792380.db2.gz YINKRAQUNMJXBT-CHWSQXEVSA-N -1 1 387.492 1.559 20 0 GDADMM C[C@H](CNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)C(C)(C)C ZINC000820789223 606792382 /nfs/dbraw/zinc/79/23/82/606792382.db2.gz YINKRAQUNMJXBT-CHWSQXEVSA-N -1 1 387.492 1.559 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OC[C@H]1CCSC1 ZINC000822459731 606801669 /nfs/dbraw/zinc/80/16/69/606801669.db2.gz UPJTZPMGGGIPDK-GFCCVEGCSA-N -1 1 387.469 1.755 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OC[C@H]1CCSC1 ZINC000822459731 606801671 /nfs/dbraw/zinc/80/16/71/606801671.db2.gz UPJTZPMGGGIPDK-GFCCVEGCSA-N -1 1 387.469 1.755 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCc1ccn2ccnc2c1 ZINC000822004203 606809487 /nfs/dbraw/zinc/80/94/87/606809487.db2.gz CGJNDTTYRXEJAM-UHFFFAOYSA-N -1 1 392.423 1.481 20 0 GDADMM CC[C@@H]1CCC[C@H]1NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820972500 606811304 /nfs/dbraw/zinc/81/13/04/606811304.db2.gz OHMAFBMRVQLHNP-MGPQQGTHSA-N -1 1 385.476 1.456 20 0 GDADMM CC[C@@H]1CCC[C@H]1NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820972500 606811306 /nfs/dbraw/zinc/81/13/06/606811306.db2.gz OHMAFBMRVQLHNP-MGPQQGTHSA-N -1 1 385.476 1.456 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCc2ccn3ccnc3c2)cc1-c1nn[n-]n1 ZINC000821978269 606818894 /nfs/dbraw/zinc/81/88/94/606818894.db2.gz KUVLAZSLAHIBLG-UHFFFAOYSA-N -1 1 382.409 1.267 20 0 GDADMM COCc1cccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1 ZINC000821695659 606820482 /nfs/dbraw/zinc/82/04/82/606820482.db2.gz BRRQRLTVUCLZBI-ZDUSSCGKSA-N -1 1 394.439 1.154 20 0 GDADMM COCc1cccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1 ZINC000821695659 606820485 /nfs/dbraw/zinc/82/04/85/606820485.db2.gz BRRQRLTVUCLZBI-ZDUSSCGKSA-N -1 1 394.439 1.154 20 0 GDADMM Cc1cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)sc1C ZINC000822168443 606820692 /nfs/dbraw/zinc/82/06/92/606820692.db2.gz MLLCBURARYSPCJ-NSHDSACASA-N -1 1 384.469 1.686 20 0 GDADMM Cc1cc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)sc1C ZINC000822168443 606820694 /nfs/dbraw/zinc/82/06/94/606820694.db2.gz MLLCBURARYSPCJ-NSHDSACASA-N -1 1 384.469 1.686 20 0 GDADMM C[C@@H]1CCC[C@@H](CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)C1 ZINC000820696949 606824153 /nfs/dbraw/zinc/82/41/53/606824153.db2.gz DEOPHZAWPLMOQV-QLFBSQMISA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCC[C@@H](CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)C1 ZINC000820696949 606824154 /nfs/dbraw/zinc/82/41/54/606824154.db2.gz DEOPHZAWPLMOQV-QLFBSQMISA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc2[nH]ccc2c1 ZINC000820788800 606825126 /nfs/dbraw/zinc/82/51/26/606825126.db2.gz OQGKDOQQPZVVMM-LBPRGKRZSA-N -1 1 389.423 1.489 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccc2[nH]ccc2c1 ZINC000820788800 606825128 /nfs/dbraw/zinc/82/51/28/606825128.db2.gz OQGKDOQQPZVVMM-LBPRGKRZSA-N -1 1 389.423 1.489 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccnc(Cl)c1 ZINC000820788539 606825137 /nfs/dbraw/zinc/82/51/37/606825137.db2.gz JLILTHDNAITNIK-JTQLQIEISA-N -1 1 385.819 1.056 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccnc(Cl)c1 ZINC000820788539 606825138 /nfs/dbraw/zinc/82/51/38/606825138.db2.gz JLILTHDNAITNIK-JTQLQIEISA-N -1 1 385.819 1.056 20 0 GDADMM CN(CC12CC3CC(CC(C3)C1)C2)C(=O)Cn1cccc(-c2nn[n-]n2)c1=O ZINC000821596555 606825241 /nfs/dbraw/zinc/82/52/41/606825241.db2.gz NWMMYSDVHRQANH-UHFFFAOYSA-N -1 1 382.468 1.703 20 0 GDADMM COCc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cc1 ZINC000821695056 606825403 /nfs/dbraw/zinc/82/54/03/606825403.db2.gz HMMFMVGWHADKSV-CYBMUJFWSA-N -1 1 394.439 1.154 20 0 GDADMM COCc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cc1 ZINC000821695056 606825404 /nfs/dbraw/zinc/82/54/04/606825404.db2.gz HMMFMVGWHADKSV-CYBMUJFWSA-N -1 1 394.439 1.154 20 0 GDADMM Cc1nc(CCC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cs1 ZINC000822436780 606825408 /nfs/dbraw/zinc/82/54/08/606825408.db2.gz QXBWXUTVPBAYOZ-NSHDSACASA-N -1 1 399.484 1.092 20 0 GDADMM Cc1nc(CCC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cs1 ZINC000822436780 606825410 /nfs/dbraw/zinc/82/54/10/606825410.db2.gz QXBWXUTVPBAYOZ-NSHDSACASA-N -1 1 399.484 1.092 20 0 GDADMM COc1ccccc1N1CC[C@H](OC(=O)c2sccc2-c2nn[n-]n2)C1=O ZINC000821899463 606825663 /nfs/dbraw/zinc/82/56/63/606825663.db2.gz ZDNZUYSODOALTB-ZDUSSCGKSA-N -1 1 385.405 1.899 20 0 GDADMM COc1cccc(CN(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000821868653 606840806 /nfs/dbraw/zinc/84/08/06/606840806.db2.gz UGBKEJGUEBMBTB-UHFFFAOYSA-N -1 1 377.401 1.835 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCOC[C@@H]1c1ccco1 ZINC000823605852 606844731 /nfs/dbraw/zinc/84/47/31/606844731.db2.gz BYVPYHQTCVHSDU-GFCCVEGCSA-N -1 1 379.373 1.361 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1sccc1C1CC1 ZINC000820788406 606855212 /nfs/dbraw/zinc/85/52/12/606855212.db2.gz GJBCDOUFXNFBMA-NSHDSACASA-N -1 1 396.480 1.947 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1sccc1C1CC1 ZINC000820788406 606855214 /nfs/dbraw/zinc/85/52/14/606855214.db2.gz GJBCDOUFXNFBMA-NSHDSACASA-N -1 1 396.480 1.947 20 0 GDADMM Cc1ccc(O)c(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1 ZINC000822259495 606855713 /nfs/dbraw/zinc/85/57/13/606855713.db2.gz ZFZZVTSIQDVQNS-LBPRGKRZSA-N -1 1 380.412 1.022 20 0 GDADMM Cc1ccc(O)c(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1 ZINC000822259495 606855715 /nfs/dbraw/zinc/85/57/15/606855715.db2.gz ZFZZVTSIQDVQNS-LBPRGKRZSA-N -1 1 380.412 1.022 20 0 GDADMM Cc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c(O)c1 ZINC000822226480 606855876 /nfs/dbraw/zinc/85/58/76/606855876.db2.gz UMDGRJQHOKXKQC-LBPRGKRZSA-N -1 1 380.412 1.022 20 0 GDADMM Cc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c(O)c1 ZINC000822226480 606855878 /nfs/dbraw/zinc/85/58/78/606855878.db2.gz UMDGRJQHOKXKQC-LBPRGKRZSA-N -1 1 380.412 1.022 20 0 GDADMM COc1ccc(N(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1F ZINC000821828535 606866211 /nfs/dbraw/zinc/86/62/11/606866211.db2.gz WNZRAULFLLCPCJ-UHFFFAOYSA-N -1 1 381.364 1.979 20 0 GDADMM COc1ccc(N(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1F ZINC000821828535 606866212 /nfs/dbraw/zinc/86/62/12/606866212.db2.gz WNZRAULFLLCPCJ-UHFFFAOYSA-N -1 1 381.364 1.979 20 0 GDADMM CN(C)c1cccc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)c1 ZINC000821590964 606888093 /nfs/dbraw/zinc/88/80/93/606888093.db2.gz NTQHZJHFORLRHB-UHFFFAOYSA-N -1 1 394.407 1.689 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCO[C@H](c2ccsc2)C1 ZINC000823601196 606941249 /nfs/dbraw/zinc/94/12/49/606941249.db2.gz VRBNGINRJXXVSX-ZDUSSCGKSA-N -1 1 378.439 1.085 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCO[C@H](c2ccsc2)C1 ZINC000823601196 606941250 /nfs/dbraw/zinc/94/12/50/606941250.db2.gz VRBNGINRJXXVSX-ZDUSSCGKSA-N -1 1 378.439 1.085 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@H]1CCC(F)(F)C1 ZINC000822459238 606953895 /nfs/dbraw/zinc/95/38/95/606953895.db2.gz ORIYYCOBBZJUAI-NSHDSACASA-N -1 1 390.398 1.763 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@H]1CCC(F)(F)C1 ZINC000822459238 606953897 /nfs/dbraw/zinc/95/38/97/606953897.db2.gz ORIYYCOBBZJUAI-NSHDSACASA-N -1 1 390.398 1.763 20 0 GDADMM C[C@H](C[C@@H](O)c1ccc(F)cc1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820235672 607006192 /nfs/dbraw/zinc/00/61/92/607006192.db2.gz UCIPOZJYJNNDHS-MEBBXXQBSA-N -1 1 392.416 1.191 20 0 GDADMM C[C@H](C[C@@H](O)c1ccc(F)cc1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820235672 607006194 /nfs/dbraw/zinc/00/61/94/607006194.db2.gz UCIPOZJYJNNDHS-MEBBXXQBSA-N -1 1 392.416 1.191 20 0 GDADMM Cc1nc(COc2ccccc2C(=O)Nc2ncc(-c3nnn[n-]3)s2)no1 ZINC000822444187 607024212 /nfs/dbraw/zinc/02/42/12/607024212.db2.gz FZWYRJMBGAZNTD-UHFFFAOYSA-N -1 1 384.381 1.846 20 0 GDADMM Cc1nc(COc2ccccc2C(=O)Nc2ncc(-c3nn[n-]n3)s2)no1 ZINC000822444187 607024214 /nfs/dbraw/zinc/02/42/14/607024214.db2.gz FZWYRJMBGAZNTD-UHFFFAOYSA-N -1 1 384.381 1.846 20 0 GDADMM CCOC(=O)[C@H]1CCCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)C1 ZINC000821325705 607065150 /nfs/dbraw/zinc/06/51/50/607065150.db2.gz KLKGBDMFRMNFBB-ZDUSSCGKSA-N -1 1 398.423 1.974 20 0 GDADMM CCOC(=O)[C@H]1CCCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)C1 ZINC000821325705 607065153 /nfs/dbraw/zinc/06/51/53/607065153.db2.gz KLKGBDMFRMNFBB-ZDUSSCGKSA-N -1 1 398.423 1.974 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCOC2(CCCC2)C1 ZINC000822004962 607070348 /nfs/dbraw/zinc/07/03/48/607070348.db2.gz MPQYRFBXRXUOHZ-UHFFFAOYSA-N -1 1 386.456 1.688 20 0 GDADMM O=C(COc1cccc(N2CCCC2=O)c1)Nc1ncc(-c2nnn[n-]2)s1 ZINC000823044064 607105671 /nfs/dbraw/zinc/10/56/71/607105671.db2.gz PWXOEXJTQCCSBN-UHFFFAOYSA-N -1 1 385.409 1.468 20 0 GDADMM O=C(COc1cccc(N2CCCC2=O)c1)Nc1ncc(-c2nn[n-]n2)s1 ZINC000823044064 607105672 /nfs/dbraw/zinc/10/56/72/607105672.db2.gz PWXOEXJTQCCSBN-UHFFFAOYSA-N -1 1 385.409 1.468 20 0 GDADMM COc1ccc(CN2C[C@H](C(=O)Nc3ncc(-c4nnn[n-]4)s3)CC2=O)cc1 ZINC000821795416 607106236 /nfs/dbraw/zinc/10/62/36/607106236.db2.gz ZIIQNUSVFLQONT-LLVKDONJSA-N -1 1 399.436 1.319 20 0 GDADMM COc1ccc(CN2C[C@H](C(=O)Nc3ncc(-c4nn[n-]n4)s3)CC2=O)cc1 ZINC000821795416 607106238 /nfs/dbraw/zinc/10/62/38/607106238.db2.gz ZIIQNUSVFLQONT-LLVKDONJSA-N -1 1 399.436 1.319 20 0 GDADMM COc1cc(N[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)cc(OC)c1 ZINC000821719301 607118918 /nfs/dbraw/zinc/11/89/18/607118918.db2.gz AUCAVIUFAAKRKX-LBPRGKRZSA-N -1 1 382.428 1.755 20 0 GDADMM COc1cc(N[C@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)cc(OC)c1 ZINC000821719301 607118919 /nfs/dbraw/zinc/11/89/19/607118919.db2.gz AUCAVIUFAAKRKX-LBPRGKRZSA-N -1 1 382.428 1.755 20 0 GDADMM COc1cccc2c1CC[C@H]2NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821877537 607129301 /nfs/dbraw/zinc/12/93/01/607129301.db2.gz LDCKEIZCKJYONP-OAHLLOKOSA-N -1 1 389.412 1.980 20 0 GDADMM CCn1cc(-c2nn[n-]n2)c(=O)n(CC(=O)c2cc(C)c(F)cc2Cl)c1=O ZINC000821565151 607157366 /nfs/dbraw/zinc/15/73/66/607157366.db2.gz GIKIWXYWCISCDD-UHFFFAOYSA-N -1 1 392.778 1.194 20 0 GDADMM CCc1nn(Cc2noc(-c3scnc3C)n2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000821518484 607157392 /nfs/dbraw/zinc/15/73/92/607157392.db2.gz WKQNLHMGCLPBFA-UHFFFAOYSA-N -1 1 399.440 1.411 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000822459740 607186259 /nfs/dbraw/zinc/18/62/59/607186259.db2.gz UWGHWEVRCNNPDS-CZUORRHYSA-N -1 1 398.471 1.126 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000822459740 607186260 /nfs/dbraw/zinc/18/62/60/607186260.db2.gz UWGHWEVRCNNPDS-CZUORRHYSA-N -1 1 398.471 1.126 20 0 GDADMM COc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1OCC(F)(F)F ZINC000821831719 607207182 /nfs/dbraw/zinc/20/71/82/607207182.db2.gz KJUNZMYRLFDZRA-UHFFFAOYSA-N -1 1 398.305 1.047 20 0 GDADMM CN(CCCOc1cccc(Cl)c1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821600277 607209648 /nfs/dbraw/zinc/20/96/48/607209648.db2.gz FWMGYTNULILXGK-UHFFFAOYSA-N -1 1 376.808 1.039 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCCOc1ccc(Cl)cc1Cl ZINC000823132102 607211906 /nfs/dbraw/zinc/21/19/06/607211906.db2.gz ZXKJMIZVXQMXTL-UHFFFAOYSA-N -1 1 397.226 1.350 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000823126063 607212753 /nfs/dbraw/zinc/21/27/53/607212753.db2.gz GTTRGUQAYJRLNB-MWLCHTKSSA-N -1 1 378.318 1.149 20 0 GDADMM CC(C)(C)[S@](=O)Cc1cccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000819949910 607217315 /nfs/dbraw/zinc/21/73/15/607217315.db2.gz BUZMKNYYNSZQPM-HHHXNRCGSA-N -1 1 388.457 1.144 20 0 GDADMM CCCCCOc1cc(C)ccc1CNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821056167 607222916 /nfs/dbraw/zinc/22/29/16/607222916.db2.gz NGNPCIGLRWKNML-UHFFFAOYSA-N -1 1 384.444 1.652 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC(CCc2ccc(O)cc2)CC1 ZINC000823123088 607223930 /nfs/dbraw/zinc/22/39/30/607223930.db2.gz NIMNPAWGVJTVFQ-UHFFFAOYSA-N -1 1 382.428 1.035 20 0 GDADMM Cc1nn(C)c(C)c1[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)C(F)(F)F ZINC000822486464 607239175 /nfs/dbraw/zinc/23/91/75/607239175.db2.gz KTOVTTFZJMNLMG-GFCCVEGCSA-N -1 1 380.334 1.645 20 0 GDADMM Cc1nn(C)c(C)c1[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)C(F)(F)F ZINC000822486464 607239176 /nfs/dbraw/zinc/23/91/76/607239176.db2.gz KTOVTTFZJMNLMG-GFCCVEGCSA-N -1 1 380.334 1.645 20 0 GDADMM CC(=O)O[C@@H]1CCCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)C1 ZINC000824005461 607792099 /nfs/dbraw/zinc/79/20/99/607792099.db2.gz TVNFVIQMAACYQI-CYBMUJFWSA-N -1 1 384.396 1.727 20 0 GDADMM CC(=O)O[C@@H]1CCCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)C1 ZINC000824005461 607792100 /nfs/dbraw/zinc/79/21/00/607792100.db2.gz TVNFVIQMAACYQI-CYBMUJFWSA-N -1 1 384.396 1.727 20 0 GDADMM O=S(=O)(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826488121 607818994 /nfs/dbraw/zinc/81/89/94/607818994.db2.gz IPLQFBLAVJBFAC-CUOATXAZSA-N -1 1 395.872 1.756 20 0 GDADMM O=S(=O)(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826488121 607818995 /nfs/dbraw/zinc/81/89/95/607818995.db2.gz IPLQFBLAVJBFAC-CUOATXAZSA-N -1 1 395.872 1.756 20 0 GDADMM CN(C)c1cccc(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)n1 ZINC000825878668 607853594 /nfs/dbraw/zinc/85/35/94/607853594.db2.gz AANKRCKSUOSUGX-UHFFFAOYSA-N -1 1 393.860 1.460 20 0 GDADMM CN(C)c1cccc(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)n1 ZINC000825878668 607853595 /nfs/dbraw/zinc/85/35/95/607853595.db2.gz AANKRCKSUOSUGX-UHFFFAOYSA-N -1 1 393.860 1.460 20 0 GDADMM O=S(=O)(NCCc1cnc(C2CC2)nc1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826491716 607907293 /nfs/dbraw/zinc/90/72/93/607907293.db2.gz XMJZGLZJZOYKBF-UHFFFAOYSA-N -1 1 389.416 1.194 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CC=C(C(F)(F)F)CC1 ZINC000826495742 607938412 /nfs/dbraw/zinc/93/84/12/607938412.db2.gz ZXASGIVLDZSSTI-UHFFFAOYSA-N -1 1 377.323 1.889 20 0 GDADMM Cn1c(=O)oc2c1cccc2C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826354419 607963702 /nfs/dbraw/zinc/96/37/02/607963702.db2.gz CDKMAFSVJYDBLM-UHFFFAOYSA-N -1 1 382.384 1.515 20 0 GDADMM Cn1c(=O)oc2c1cccc2C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826354419 607963703 /nfs/dbraw/zinc/96/37/03/607963703.db2.gz CDKMAFSVJYDBLM-UHFFFAOYSA-N -1 1 382.384 1.515 20 0 GDADMM CCCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825296744 607997941 /nfs/dbraw/zinc/99/79/41/607997941.db2.gz USGJFUWLUUSGDU-ZDUSSCGKSA-N -1 1 394.457 1.105 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCCC2(C1)OCCO2 ZINC000826495070 608000467 /nfs/dbraw/zinc/00/04/67/608000467.db2.gz BHGVULBUDDRYGR-UHFFFAOYSA-N -1 1 385.833 1.048 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCCC2(C1)OCCO2 ZINC000826495070 608000468 /nfs/dbraw/zinc/00/04/68/608000468.db2.gz BHGVULBUDDRYGR-UHFFFAOYSA-N -1 1 385.833 1.048 20 0 GDADMM O=C(NCCOc1cccc(C(F)(F)F)n1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826438411 608002675 /nfs/dbraw/zinc/00/26/75/608002675.db2.gz BONKDOHDUMDFDF-UHFFFAOYSA-N -1 1 379.302 1.484 20 0 GDADMM O=C(NCCOc1cccc(C(F)(F)F)n1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826438411 608002676 /nfs/dbraw/zinc/00/26/76/608002676.db2.gz BONKDOHDUMDFDF-UHFFFAOYSA-N -1 1 379.302 1.484 20 0 GDADMM O=C(Cn1ccnc1-c1nnn[n-]1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000826425254 608013688 /nfs/dbraw/zinc/01/36/88/608013688.db2.gz WBLNTRLZWRKZDB-CQSZACIVSA-N -1 1 395.423 1.588 20 0 GDADMM O=C(Cn1ccnc1-c1nn[n-]n1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000826425254 608013689 /nfs/dbraw/zinc/01/36/89/608013689.db2.gz WBLNTRLZWRKZDB-CQSZACIVSA-N -1 1 395.423 1.588 20 0 GDADMM CCOC(=O)CC[C@@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825506002 608026534 /nfs/dbraw/zinc/02/65/34/608026534.db2.gz BFEIYSAYMUVTGC-SECBINFHSA-N -1 1 387.849 1.530 20 0 GDADMM CCOC(=O)CC[C@@H](C)NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825506002 608026535 /nfs/dbraw/zinc/02/65/35/608026535.db2.gz BFEIYSAYMUVTGC-SECBINFHSA-N -1 1 387.849 1.530 20 0 GDADMM c1nc(CN2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)oc1C1CC1 ZINC000826526675 608033455 /nfs/dbraw/zinc/03/34/55/608033455.db2.gz IPRPNDGONPPJBN-UHFFFAOYSA-N -1 1 382.428 1.920 20 0 GDADMM O=C(NCc1nnc2n1CCC[C@@H]2C(F)(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC000826444244 608038376 /nfs/dbraw/zinc/03/83/76/608038376.db2.gz XPDBANCNNGEXNR-ZETCQYMHSA-N -1 1 398.374 1.889 20 0 GDADMM O=C(NCc1nnc2n1CCC[C@@H]2C(F)(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC000826444244 608038377 /nfs/dbraw/zinc/03/83/77/608038377.db2.gz XPDBANCNNGEXNR-ZETCQYMHSA-N -1 1 398.374 1.889 20 0 GDADMM O=C(CN1CCOC[C@@H]1C1CC1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000826410998 608045715 /nfs/dbraw/zinc/04/57/15/608045715.db2.gz GWWHZVOLIIJCDX-MRXNPFEDSA-N -1 1 394.439 1.102 20 0 GDADMM O=C(CN1CCOC[C@@H]1C1CC1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000826410998 608045716 /nfs/dbraw/zinc/04/57/16/608045716.db2.gz GWWHZVOLIIJCDX-MRXNPFEDSA-N -1 1 394.439 1.102 20 0 GDADMM COC(=O)[C@H](CC(F)F)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000826103168 608090217 /nfs/dbraw/zinc/09/02/17/608090217.db2.gz DKPMBQMBPQYATD-VIFPVBQESA-N -1 1 394.338 1.485 20 0 GDADMM COC(=O)[C@H](CC(F)F)NC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000826103168 608090218 /nfs/dbraw/zinc/09/02/18/608090218.db2.gz DKPMBQMBPQYATD-VIFPVBQESA-N -1 1 394.338 1.485 20 0 GDADMM CCOC(=O)[C@H](C)[C@@H](C)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000825485807 608139711 /nfs/dbraw/zinc/13/97/11/608139711.db2.gz JPNUJTGNWDKGJQ-MWLCHTKSSA-N -1 1 390.444 1.221 20 0 GDADMM O=C(N[C@H]1CC(=O)N(c2c(F)cccc2F)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000826428632 608168369 /nfs/dbraw/zinc/16/83/69/608168369.db2.gz HMKKGRNZWGRESX-QMMMGPOBSA-N -1 1 390.375 1.742 20 0 GDADMM O=C(N[C@H]1CC(=O)N(c2c(F)cccc2F)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000826428632 608168370 /nfs/dbraw/zinc/16/83/70/608168370.db2.gz HMKKGRNZWGRESX-QMMMGPOBSA-N -1 1 390.375 1.742 20 0 GDADMM NC(=O)[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)Cc1ccc(F)cc1 ZINC000826388648 608182835 /nfs/dbraw/zinc/18/28/35/608182835.db2.gz FWWVAQDCZIWCRS-MRVPVSSYSA-N -1 1 381.824 1.872 20 0 GDADMM NC(=O)[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)Cc1ccc(F)cc1 ZINC000826388648 608182836 /nfs/dbraw/zinc/18/28/36/608182836.db2.gz FWWVAQDCZIWCRS-MRVPVSSYSA-N -1 1 381.824 1.872 20 0 GDADMM O=C(CN(C[C@@H]1CCCO1)c1snc(Cl)c1-c1nnn[n-]1)N1CCCC1 ZINC000826409659 608192849 /nfs/dbraw/zinc/19/28/49/608192849.db2.gz JPRKUPURXAQOLI-JTQLQIEISA-N -1 1 397.892 1.584 20 0 GDADMM O=C(CN(C[C@@H]1CCCO1)c1snc(Cl)c1-c1nn[n-]n1)N1CCCC1 ZINC000826409659 608192850 /nfs/dbraw/zinc/19/28/50/608192850.db2.gz JPRKUPURXAQOLI-JTQLQIEISA-N -1 1 397.892 1.584 20 0 GDADMM O=C([C@@H](O)c1ccccc1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000822912427 608192909 /nfs/dbraw/zinc/19/29/09/608192909.db2.gz ZVNWJWAIXXDWAJ-HNNXBMFYSA-N -1 1 395.423 1.114 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1scnc1C(C)(C)C ZINC000825933289 608211269 /nfs/dbraw/zinc/21/12/69/608211269.db2.gz AQPNYPCZWUCVCU-UHFFFAOYSA-N -1 1 389.489 1.631 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1scnc1C(C)(C)C ZINC000825933289 608211270 /nfs/dbraw/zinc/21/12/70/608211270.db2.gz AQPNYPCZWUCVCU-UHFFFAOYSA-N -1 1 389.489 1.631 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1c(F)cc(F)cc1F ZINC000825929560 608211516 /nfs/dbraw/zinc/21/15/16/608211516.db2.gz IDFRCPGCKMRJQW-UHFFFAOYSA-N -1 1 380.334 1.294 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1c(F)cc(F)cc1F ZINC000825929560 608211517 /nfs/dbraw/zinc/21/15/17/608211517.db2.gz IDFRCPGCKMRJQW-UHFFFAOYSA-N -1 1 380.334 1.294 20 0 GDADMM Cc1cccc([C@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c2ccccn2)c1 ZINC000826296597 608245760 /nfs/dbraw/zinc/24/57/60/608245760.db2.gz BWAKQRZGKUXYQM-INIZCTEOSA-N -1 1 375.396 1.067 20 0 GDADMM CC[C@@H]1CN(CC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CCN1CC(F)F ZINC000825213513 608257718 /nfs/dbraw/zinc/25/77/18/608257718.db2.gz ZLBQTISHTZAYMR-GFCCVEGCSA-N -1 1 397.430 1.676 20 0 GDADMM CS(=O)(=O)Nc1ccc(OCCNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000826224214 608298455 /nfs/dbraw/zinc/29/84/55/608298455.db2.gz UVHFJYQKUASEHM-UHFFFAOYSA-N -1 1 375.414 1.124 20 0 GDADMM CS(=O)(=O)Nc1ccc(OCCNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000826224214 608298457 /nfs/dbraw/zinc/29/84/57/608298457.db2.gz UVHFJYQKUASEHM-UHFFFAOYSA-N -1 1 375.414 1.124 20 0 GDADMM Cc1ccccc1[C@@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826306085 608340552 /nfs/dbraw/zinc/34/05/52/608340552.db2.gz PVACHOCCMWWULR-GFCCVEGCSA-N -1 1 396.455 1.943 20 0 GDADMM Cc1ccccc1[C@@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826306085 608340554 /nfs/dbraw/zinc/34/05/54/608340554.db2.gz PVACHOCCMWWULR-GFCCVEGCSA-N -1 1 396.455 1.943 20 0 GDADMM c1cc(Nc2ccc(-c3nnn[n-]3)nn2)cc2sc(N3CCOCC3)nc12 ZINC000826518497 608392746 /nfs/dbraw/zinc/39/27/46/608392746.db2.gz PMECGRZWIKTOIQ-UHFFFAOYSA-N -1 1 381.425 1.847 20 0 GDADMM c1cc(Nc2ccc(-c3nn[n-]n3)nn2)cc2sc(N3CCOCC3)nc12 ZINC000826518497 608392749 /nfs/dbraw/zinc/39/27/49/608392749.db2.gz PMECGRZWIKTOIQ-UHFFFAOYSA-N -1 1 381.425 1.847 20 0 GDADMM O=C(NCc1ccco1)c1cccc(CNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826443101 608402567 /nfs/dbraw/zinc/40/25/67/608402567.db2.gz AGYVQRBXXVYHNE-UHFFFAOYSA-N -1 1 376.380 1.792 20 0 GDADMM O=C(NCc1ccco1)c1cccc(CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826443101 608402569 /nfs/dbraw/zinc/40/25/69/608402569.db2.gz AGYVQRBXXVYHNE-UHFFFAOYSA-N -1 1 376.380 1.792 20 0 GDADMM O=C(NCCc1cccs1)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826439711 608407180 /nfs/dbraw/zinc/40/71/80/608407180.db2.gz HAVNXWHBVZFWKB-UHFFFAOYSA-N -1 1 384.469 1.294 20 0 GDADMM O=C(NCCc1cccs1)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826439711 608407181 /nfs/dbraw/zinc/40/71/81/608407181.db2.gz HAVNXWHBVZFWKB-UHFFFAOYSA-N -1 1 384.469 1.294 20 0 GDADMM Clc1cccc([C@H](CNc2ccc(-c3nnn[n-]3)nn2)N2CCOCC2)c1 ZINC000826353457 608410830 /nfs/dbraw/zinc/41/08/30/608410830.db2.gz QARLQSGTQQBQTB-HNNXBMFYSA-N -1 1 386.847 1.796 20 0 GDADMM Clc1cccc([C@H](CNc2ccc(-c3nn[n-]n3)nn2)N2CCOCC2)c1 ZINC000826353457 608410831 /nfs/dbraw/zinc/41/08/31/608410831.db2.gz QARLQSGTQQBQTB-HNNXBMFYSA-N -1 1 386.847 1.796 20 0 GDADMM Cc1cccc(O[C@H](C)C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)c1 ZINC000826300329 608421624 /nfs/dbraw/zinc/42/16/24/608421624.db2.gz QGQSBGPABYIAOB-CQSZACIVSA-N -1 1 394.439 1.081 20 0 GDADMM Cc1cccc(O[C@H](C)C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)c1 ZINC000826300329 608421625 /nfs/dbraw/zinc/42/16/25/608421625.db2.gz QGQSBGPABYIAOB-CQSZACIVSA-N -1 1 394.439 1.081 20 0 GDADMM Cc1nn(C)c(C)c1CCCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826333572 608424215 /nfs/dbraw/zinc/42/42/15/608424215.db2.gz MUONFTJYWVNYPH-UHFFFAOYSA-N -1 1 393.448 1.267 20 0 GDADMM Cc1nn(C)c(C)c1CCCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826333572 608424217 /nfs/dbraw/zinc/42/42/17/608424217.db2.gz MUONFTJYWVNYPH-UHFFFAOYSA-N -1 1 393.448 1.267 20 0 GDADMM Cc1ccc(S(=O)(=O)CCCOC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000826293030 608448453 /nfs/dbraw/zinc/44/84/53/608448453.db2.gz XOOPPUBOZHICLJ-UHFFFAOYSA-N -1 1 387.421 1.591 20 0 GDADMM Cc1ccc(S(=O)(=O)CCCOC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000826293030 608448454 /nfs/dbraw/zinc/44/84/54/608448454.db2.gz XOOPPUBOZHICLJ-UHFFFAOYSA-N -1 1 387.421 1.591 20 0 GDADMM Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826258362 608453456 /nfs/dbraw/zinc/45/34/56/608453456.db2.gz ITYJCIPTCNMTIF-UHFFFAOYSA-N -1 1 393.407 1.295 20 0 GDADMM Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826258362 608453458 /nfs/dbraw/zinc/45/34/58/608453458.db2.gz ITYJCIPTCNMTIF-UHFFFAOYSA-N -1 1 393.407 1.295 20 0 GDADMM Cc1cc(F)ccc1-n1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)nn1 ZINC000826268452 608454228 /nfs/dbraw/zinc/45/42/28/608454228.db2.gz XXXUIAMEIMAJAR-UHFFFAOYSA-N -1 1 380.343 1.647 20 0 GDADMM Cc1cc(F)ccc1-n1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)nn1 ZINC000826268452 608454230 /nfs/dbraw/zinc/45/42/30/608454230.db2.gz XXXUIAMEIMAJAR-UHFFFAOYSA-N -1 1 380.343 1.647 20 0 GDADMM COc1cc(OC)cc(C(=O)N2CCN(Cc3ccc(-c4nnn[n-]4)o3)CC2)c1 ZINC000826181145 608516765 /nfs/dbraw/zinc/51/67/65/608516765.db2.gz MJBQFMCHUVPXEB-UHFFFAOYSA-N -1 1 398.423 1.435 20 0 GDADMM COc1cc(OC)cc(C(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)o3)CC2)c1 ZINC000826181145 608516767 /nfs/dbraw/zinc/51/67/67/608516767.db2.gz MJBQFMCHUVPXEB-UHFFFAOYSA-N -1 1 398.423 1.435 20 0 GDADMM Cn1nccc1CN1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000826366816 608548461 /nfs/dbraw/zinc/54/84/61/608548461.db2.gz YZNVLJBPBFXEFB-UHFFFAOYSA-N -1 1 381.400 1.170 20 0 GDADMM CC(C)Cn1cc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cn1 ZINC000824280825 608548863 /nfs/dbraw/zinc/54/88/63/608548863.db2.gz VRONKNJYJINUQO-UHFFFAOYSA-N -1 1 387.452 1.121 20 0 GDADMM CC(C)Cn1cc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cn1 ZINC000824280825 608548864 /nfs/dbraw/zinc/54/88/64/608548864.db2.gz VRONKNJYJINUQO-UHFFFAOYSA-N -1 1 387.452 1.121 20 0 GDADMM CC(=O)[C@@H](C)CCCCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000823962610 608557611 /nfs/dbraw/zinc/55/76/11/608557611.db2.gz MQGGONPBBDCBKZ-NSHDSACASA-N -1 1 376.465 1.349 20 0 GDADMM CC(=O)[C@@H](C)CCCCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000823962610 608557613 /nfs/dbraw/zinc/55/76/13/608557613.db2.gz MQGGONPBBDCBKZ-NSHDSACASA-N -1 1 376.465 1.349 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@@H]1CCSc2ccccc21 ZINC000825923689 608559151 /nfs/dbraw/zinc/55/91/51/608559151.db2.gz ROQGYDXVLVSRNC-GFCCVEGCSA-N -1 1 398.496 1.843 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@@H]1CCSc2ccccc21 ZINC000825923689 608559153 /nfs/dbraw/zinc/55/91/53/608559153.db2.gz ROQGYDXVLVSRNC-GFCCVEGCSA-N -1 1 398.496 1.843 20 0 GDADMM CC(C)(CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccncc1 ZINC000824157193 608561701 /nfs/dbraw/zinc/56/17/01/608561701.db2.gz CURQAZXBQLAIBJ-UHFFFAOYSA-N -1 1 376.417 1.657 20 0 GDADMM COC(=O)C1=C(C)O[C@@H](Cn2cc(-c3nn[n-]n3)c(=O)c3nc(C)ccc32)C1 ZINC000826129338 608582846 /nfs/dbraw/zinc/58/28/46/608582846.db2.gz PIPWOJIAPDMNIV-LLVKDONJSA-N -1 1 382.380 1.121 20 0 GDADMM COC(=O)[C@@H]1CCCC[C@@]1(C)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826132395 608588995 /nfs/dbraw/zinc/58/89/95/608588995.db2.gz DUTMZAXZPRQJNN-BLLLJJGKSA-N -1 1 397.432 1.406 20 0 GDADMM C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CCO1 ZINC000824892090 608758566 /nfs/dbraw/zinc/75/85/66/608758566.db2.gz DFPKYKJDWVAIDA-SCZZXKLOSA-N -1 1 391.375 1.731 20 0 GDADMM Cc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c(O)c1C ZINC000826281831 608809344 /nfs/dbraw/zinc/80/93/44/608809344.db2.gz LSTMOTBYZVBTOW-LBPRGKRZSA-N -1 1 394.439 1.330 20 0 GDADMM Cc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c(O)c1C ZINC000826281831 608809346 /nfs/dbraw/zinc/80/93/46/608809346.db2.gz LSTMOTBYZVBTOW-LBPRGKRZSA-N -1 1 394.439 1.330 20 0 GDADMM COc1cc(F)cc(CNC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)c1 ZINC000826179782 608860723 /nfs/dbraw/zinc/86/07/23/608860723.db2.gz DLDSIZCSCZDRDI-UHFFFAOYSA-N -1 1 390.400 1.767 20 0 GDADMM Brc1cccc(Cc2noc(Cn3ccnc3-c3nnn[n-]3)n2)c1 ZINC000823832268 608893638 /nfs/dbraw/zinc/89/36/38/608893638.db2.gz KEYKMPUXHRJEQF-UHFFFAOYSA-N -1 1 387.201 1.848 20 0 GDADMM Brc1cccc(Cc2noc(Cn3ccnc3-c3nn[n-]n3)n2)c1 ZINC000823832268 608893639 /nfs/dbraw/zinc/89/36/39/608893639.db2.gz KEYKMPUXHRJEQF-UHFFFAOYSA-N -1 1 387.201 1.848 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1nnc(C(F)F)s1 ZINC000825930787 609156839 /nfs/dbraw/zinc/15/68/39/609156839.db2.gz ZKGJICHENLJRHT-UHFFFAOYSA-N -1 1 399.391 1.058 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1nnc(C(F)F)s1 ZINC000825930787 609156841 /nfs/dbraw/zinc/15/68/41/609156841.db2.gz ZKGJICHENLJRHT-UHFFFAOYSA-N -1 1 399.391 1.058 20 0 GDADMM Cc1cc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)nn1[C@@H](C)C1CC1 ZINC000826257304 609261621 /nfs/dbraw/zinc/26/16/21/609261621.db2.gz WPJSCHXQYNWJKY-NSHDSACASA-N -1 1 398.475 1.353 20 0 GDADMM Cc1cc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)nn1[C@@H](C)C1CC1 ZINC000826257304 609261623 /nfs/dbraw/zinc/26/16/23/609261623.db2.gz WPJSCHXQYNWJKY-NSHDSACASA-N -1 1 398.475 1.353 20 0 GDADMM Cn1cc(C=CC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cn1 ZINC000826359409 609287663 /nfs/dbraw/zinc/28/76/63/609287663.db2.gz GBJXDLIJNHSYCY-WAYWQWQTSA-N -1 1 379.359 1.577 20 0 GDADMM Cc1nn(C)c(C)c1CC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826333419 609291352 /nfs/dbraw/zinc/29/13/52/609291352.db2.gz GVNDGDKRRXEZCT-UHFFFAOYSA-N -1 1 395.402 1.723 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CCOc3cc(F)ccc32)cc1-c1nn[n-]n1 ZINC000826229892 609300260 /nfs/dbraw/zinc/30/02/60/609300260.db2.gz VVOAHGUJPMHAKG-UHFFFAOYSA-N -1 1 388.384 1.868 20 0 GDADMM C[C@H]1CC(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C[C@H](C)C1 ZINC000824874316 609302301 /nfs/dbraw/zinc/30/23/01/609302301.db2.gz BXJZTKDRLCPDBP-GHMZBOCLSA-N -1 1 375.481 1.571 20 0 GDADMM C[C@H]1CC(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C[C@H](C)C1 ZINC000824874316 609302302 /nfs/dbraw/zinc/30/23/02/609302302.db2.gz BXJZTKDRLCPDBP-GHMZBOCLSA-N -1 1 375.481 1.571 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@@H]1CCCc2[nH]ccc21 ZINC000825929503 609304265 /nfs/dbraw/zinc/30/42/65/609304265.db2.gz GYSCBPBZCDHWDS-GFCCVEGCSA-N -1 1 384.448 1.152 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@@H]1CCCc2[nH]ccc21 ZINC000825929503 609304266 /nfs/dbraw/zinc/30/42/66/609304266.db2.gz GYSCBPBZCDHWDS-GFCCVEGCSA-N -1 1 384.448 1.152 20 0 GDADMM CCn1cc(-c2nn[n-]n2)c(=O)n(Cc2ccc(Br)cc2C)c1=O ZINC000825796740 609307495 /nfs/dbraw/zinc/30/74/95/609307495.db2.gz LQGGFUFNQFANNT-UHFFFAOYSA-N -1 1 391.229 1.329 20 0 GDADMM CC(C)CCNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824248992 609352257 /nfs/dbraw/zinc/35/22/57/609352257.db2.gz GFPBKGVALKMCNK-UHFFFAOYSA-N -1 1 386.391 1.292 20 0 GDADMM O=C(Nc1cnn(CCO)c1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826459711 609359619 /nfs/dbraw/zinc/35/96/19/609359619.db2.gz WFNGUUATWQPNTH-UHFFFAOYSA-N -1 1 398.362 1.024 20 0 GDADMM C[C@@H]1C[C@H](NC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CCO1 ZINC000824892592 609362136 /nfs/dbraw/zinc/36/21/36/609362136.db2.gz KNOJYAONBGSTAE-GHMZBOCLSA-N -1 1 386.391 1.881 20 0 GDADMM C[C@H](Cn1cccn1)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000824464217 609362540 /nfs/dbraw/zinc/36/25/40/609362540.db2.gz GDARDVIFEYVHDU-LLVKDONJSA-N -1 1 396.390 1.598 20 0 GDADMM CCC[C@H]1C[C@@H]1NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825252188 609368096 /nfs/dbraw/zinc/36/80/96/609368096.db2.gz HEBHSBUHGMGVDQ-JQWIXIFHSA-N -1 1 398.402 1.435 20 0 GDADMM Cc1onc(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1-c1nnn[n-]1 ZINC000826344638 609468472 /nfs/dbraw/zinc/46/84/72/609468472.db2.gz NGVDYJGSKMBARP-SNVBAGLBSA-N -1 1 391.432 1.173 20 0 GDADMM Cc1onc(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1-c1nn[n-]n1 ZINC000826344638 609468474 /nfs/dbraw/zinc/46/84/74/609468474.db2.gz NGVDYJGSKMBARP-SNVBAGLBSA-N -1 1 391.432 1.173 20 0 GDADMM CCOc1ccc(-c2cn(C3CN(c4nccnc4-c4nnn[n-]4)C3)nn2)cc1 ZINC000825621861 609491434 /nfs/dbraw/zinc/49/14/34/609491434.db2.gz ZNGXHPOTPGSZFG-UHFFFAOYSA-N -1 1 390.411 1.375 20 0 GDADMM CCOc1ccc(-c2cn(C3CN(c4nccnc4-c4nn[n-]n4)C3)nn2)cc1 ZINC000825621861 609491435 /nfs/dbraw/zinc/49/14/35/609491435.db2.gz ZNGXHPOTPGSZFG-UHFFFAOYSA-N -1 1 390.411 1.375 20 0 GDADMM O=S(=O)([N-]c1c(F)cccc1CO)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000826492530 609531331 /nfs/dbraw/zinc/53/13/31/609531331.db2.gz PKQGUVRGIQHBOY-UHFFFAOYSA-N -1 1 383.792 1.952 20 0 GDADMM c1cnc(-c2nn[n-]n2)c(Sc2n[nH]c(-c3ccc4c(c3)OCCO4)n2)n1 ZINC000826525128 609566362 /nfs/dbraw/zinc/56/63/62/609566362.db2.gz XWRPNPCLHHGBMW-UHFFFAOYSA-N -1 1 381.381 1.364 20 0 GDADMM O=S(=O)(NCCc1cc(F)c(F)c(F)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826491602 609583478 /nfs/dbraw/zinc/58/34/78/609583478.db2.gz RFMQGNPMAUZUJU-UHFFFAOYSA-N -1 1 384.343 1.200 20 0 GDADMM O=S(=O)(NCCc1cc(F)c(F)c(F)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826491602 609583482 /nfs/dbraw/zinc/58/34/82/609583482.db2.gz RFMQGNPMAUZUJU-UHFFFAOYSA-N -1 1 384.343 1.200 20 0 GDADMM Cn1cnc(-c2ccc(C(=O)Nc3nn(C(C)(C)C)cc3-c3nnn[n-]3)cc2)n1 ZINC000826364910 609591800 /nfs/dbraw/zinc/59/18/00/609591800.db2.gz QRAAWLQXEHCWPQ-UHFFFAOYSA-N -1 1 392.427 1.866 20 0 GDADMM Cn1cnc(-c2ccc(C(=O)Nc3nn(C(C)(C)C)cc3-c3nn[n-]n3)cc2)n1 ZINC000826364910 609591802 /nfs/dbraw/zinc/59/18/02/609591802.db2.gz QRAAWLQXEHCWPQ-UHFFFAOYSA-N -1 1 392.427 1.866 20 0 GDADMM C[C@@H]1OCC[C@@]1(C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825012404 609612069 /nfs/dbraw/zinc/61/20/69/609612069.db2.gz IMLHNWWYJSZKJG-ISVAXAHUSA-N -1 1 391.375 1.731 20 0 GDADMM Nc1ncc(Cl)cc1S(=O)(=O)Nc1cc2c(cc1C(=O)[O-])OCCO2 ZINC000533166824 650044667 /nfs/dbraw/zinc/04/46/67/650044667.db2.gz DWHVBKAMFQHUIN-UHFFFAOYSA-N -1 1 385.785 1.587 20 0 GDADMM N=c1nc(N2CCN(C(=O)CSc3nc4ccccc4[nH]3)CC2)s[n-]1 ZINC000534721475 650229469 /nfs/dbraw/zinc/22/94/69/650229469.db2.gz HUMPKOLHAYAOQF-UHFFFAOYSA-N -1 1 375.483 1.268 20 0 GDADMM O=S(=O)([N-]C[C@H]1CS(=O)(=O)CCO1)c1cc(Cl)sc1Cl ZINC000536634694 650274884 /nfs/dbraw/zinc/27/48/84/650274884.db2.gz WMQVSIOOQMOTBY-LURJTMIESA-N -1 1 380.296 1.147 20 0 GDADMM CC(=O)N[C@@H](CC(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])c1cccs1 ZINC000537502254 650293590 /nfs/dbraw/zinc/29/35/90/650293590.db2.gz VJLZWHAYPYNVNU-LBPRGKRZSA-N -1 1 383.451 1.307 20 0 GDADMM Cc1cc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)nn1-c1cccc(Cl)c1 ZINC000540820326 650371023 /nfs/dbraw/zinc/37/10/23/650371023.db2.gz YNWFOPQYSBABBI-UHFFFAOYSA-N -1 1 380.817 1.608 20 0 GDADMM Cc1cc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)nn1-c1cccc(Cl)c1 ZINC000540820326 650371026 /nfs/dbraw/zinc/37/10/26/650371026.db2.gz YNWFOPQYSBABBI-UHFFFAOYSA-N -1 1 380.817 1.608 20 0 GDADMM C[C@@H]1C[C@@H](CCNS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CCO1 ZINC000542238172 650400906 /nfs/dbraw/zinc/40/09/06/650400906.db2.gz NHOKAYMNYVJRGS-NEPJUHHUSA-N -1 1 394.490 1.681 20 0 GDADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2NS(C)(=O)=O)cn1 ZINC000542721487 650410668 /nfs/dbraw/zinc/41/06/68/650410668.db2.gz AFCAJRUJEDZRAG-UHFFFAOYSA-N -1 1 389.430 1.792 20 0 GDADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2N)cc1C ZINC000543729138 650429709 /nfs/dbraw/zinc/42/97/09/650429709.db2.gz IGGQVOILHCNJNU-UHFFFAOYSA-N -1 1 385.467 1.424 20 0 GDADMM CC(=O)Nc1ccc(Br)cc1NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000545378187 650456574 /nfs/dbraw/zinc/45/65/74/650456574.db2.gz NGTPICPEPVSEFQ-UHFFFAOYSA-N -1 1 391.185 1.391 20 0 GDADMM C[C@H](CNC(=O)c1cc(=O)n2[n-]cnc2n1)Oc1ccc(Br)cc1 ZINC000546089077 650470689 /nfs/dbraw/zinc/47/06/89/650470689.db2.gz ZXYUGGPKQLDHKL-SECBINFHSA-N -1 1 392.213 1.377 20 0 GDADMM O=C(CNC(=O)c1ccc(I)c([O-])c1)Nc1cccnc1 ZINC000546166472 650473231 /nfs/dbraw/zinc/47/32/31/650473231.db2.gz KIIIIFAHEUCTAZ-UHFFFAOYSA-N -1 1 397.172 1.760 20 0 GDADMM CC(C)(Cc1ccc(Br)cc1)NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000546790836 650486475 /nfs/dbraw/zinc/48/64/75/650486475.db2.gz ITPJLABNGYJLIO-UHFFFAOYSA-N -1 1 390.241 1.931 20 0 GDADMM O=C([O-])[C@@H](CN1CCCCC1)NS(=O)(=O)c1ccccc1Br ZINC000547575757 650504226 /nfs/dbraw/zinc/50/42/26/650504226.db2.gz ZKPJYLQVSODZBE-GFCCVEGCSA-N -1 1 391.287 1.667 20 0 GDADMM O=S(=O)([N-][C@H](C1CC1)[C@]1(CO)CCCO1)c1ccc(Br)o1 ZINC000549984940 650586806 /nfs/dbraw/zinc/58/68/06/650586806.db2.gz RFXOEXMBEFXRHK-CHWSQXEVSA-N -1 1 380.260 1.641 20 0 GDADMM CCNC(=O)C(C)(C)[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000916210657 660188815 /nfs/dbraw/zinc/18/88/15/660188815.db2.gz QHWGFULYYACYMK-UHFFFAOYSA-N -1 1 397.266 1.790 20 0 GDADMM COc1cnc([N-]S(=O)(=O)c2cccc(C(N)=O)c2)c(Br)c1 ZINC000554735733 650681085 /nfs/dbraw/zinc/68/10/85/650681085.db2.gz YVJMHGXCZVCQDF-UHFFFAOYSA-N -1 1 386.227 1.752 20 0 GDADMM Cn1c2cc(Br)c(S(=O)(=O)[N-]c3cnc[nH]3)cc2n(C)c1=O ZINC000555140249 650686462 /nfs/dbraw/zinc/68/64/62/650686462.db2.gz SVOQOOTZOVIVOX-UHFFFAOYSA-N -1 1 386.231 1.163 20 0 GDADMM Cc1onc(N)c1S(=O)(=O)[N-]CCc1cccc(OCC(F)(F)F)c1 ZINC000557525725 650728025 /nfs/dbraw/zinc/72/80/25/650728025.db2.gz QXZJIJJXOQZAJA-UHFFFAOYSA-N -1 1 379.360 2.027 20 0 GDADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@@H]1CSc2ccccc2O1 ZINC000564910418 650771354 /nfs/dbraw/zinc/77/13/54/650771354.db2.gz GMKUJPMYPVOWMH-SNVBAGLBSA-N -1 1 383.451 1.418 20 0 GDADMM COC[C@H]1CCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000565086951 650781155 /nfs/dbraw/zinc/78/11/55/650781155.db2.gz JNJQUXGXNWFAQI-JTQLQIEISA-N -1 1 381.281 1.767 20 0 GDADMM Cn1nccc1[C@H]1[C@H]([N-]S(=O)(=O)c2sccc2Cl)CCC(=O)N1C ZINC000565345364 650792644 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COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](C)Cc1nc2ccccc2s1 ZINC000912543288 660041790 /nfs/dbraw/zinc/04/17/90/660041790.db2.gz VHESSIDUHHQYBF-VIFPVBQESA-N -1 1 380.451 1.716 20 0 GDADMM O=C(c1cc2cc(Br)sc2[nH]1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913495089 660083127 /nfs/dbraw/zinc/08/31/27/660083127.db2.gz QZAKHHCIVPCNFD-MRVPVSSYSA-N -1 1 383.231 1.719 20 0 GDADMM Cc1c2cc(C(=O)N3CCOC[C@H]3c3nn[n-]n3)[nH]c2ccc1Br ZINC000913497347 660083574 /nfs/dbraw/zinc/08/35/74/660083574.db2.gz ADKUOOGAAUHGRB-ZDUSSCGKSA-N -1 1 391.229 1.966 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H](C)c2nncn2C)c1F ZINC000913929120 660105693 /nfs/dbraw/zinc/10/56/93/660105693.db2.gz KTKLEAYNHMPSQU-SSDOTTSWSA-N -1 1 393.238 1.765 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-]CCC[S@](C)=O)c1F ZINC000914123924 660117843 /nfs/dbraw/zinc/11/78/43/660117843.db2.gz IBRGRRUOZVKUNS-IBGZPJMESA-N -1 1 388.280 1.644 20 0 GDADMM COc1nn2cc(Br)cnc2c1S(=O)(=O)[N-]C(C)(C)C1CC1 ZINC000914182513 660124490 /nfs/dbraw/zinc/12/44/90/660124490.db2.gz UUUJUZGSWVHLPR-UHFFFAOYSA-N -1 1 389.275 1.967 20 0 GDADMM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1cccc(F)c1Br)C1CC1 ZINC000914211637 660127559 /nfs/dbraw/zinc/12/75/59/660127559.db2.gz ZUVYHTBEJNTZPQ-LBPRGKRZSA-N -1 1 380.235 1.959 20 0 GDADMM COc1nn2cc(Br)cnc2c1S(=O)(=O)[N-]CC1(C)CC1 ZINC000914221276 660128499 /nfs/dbraw/zinc/12/84/99/660128499.db2.gz RCPXVMAOGDOSQU-UHFFFAOYSA-N -1 1 375.248 1.579 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](C)C[S@](C)=O)c1F ZINC000914359028 660142382 /nfs/dbraw/zinc/14/23/82/660142382.db2.gz BAJGMGHSKIGHEE-IIYDVTGLSA-N -1 1 388.280 1.642 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-]C(C)(C)CC(N)=O)c1F ZINC000914366968 660142982 /nfs/dbraw/zinc/14/29/82/660142982.db2.gz BBXGYPOZNDVUMZ-UHFFFAOYSA-N -1 1 383.239 1.529 20 0 GDADMM CN(C)c1noc(C[N-]S(=O)(=O)Cc2ccc(F)cc2Br)n1 ZINC000914391835 660145667 /nfs/dbraw/zinc/14/56/67/660145667.db2.gz ZYTLHCQUVVOEHN-UHFFFAOYSA-N -1 1 393.238 1.657 20 0 GDADMM CN(C)C(=O)CN1CCC2(CCCN2c2nc[n-]c3nc(=S)sc2-3)CC1 ZINC001165009709 721743691 /nfs/dbraw/zinc/74/36/91/721743691.db2.gz IDRNXDKDGVXJHR-UHFFFAOYSA-N -1 1 392.554 1.898 20 0 GDADMM O=C([O-])[C@@]1(NC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)CCOC1 ZINC000908768526 939316580 /nfs/dbraw/zinc/31/65/80/939316580.db2.gz KOTDOGJIUBLMAU-GOSISDBHSA-N -1 1 381.860 1.847 20 0 GDADMM C[C@@H]1CN(CCCNC(=O)N[C@]2(C(=O)[O-])CCc3ccccc32)C[C@@H](C)O1 ZINC000908768111 939316976 /nfs/dbraw/zinc/31/69/76/939316976.db2.gz DTAKOHZTUYOLQF-STXHMFSFSA-N -1 1 375.469 1.711 20 0 GDADMM CN1CCN(c2ncccc2CNC(=O)N[C@](C)(C(=O)[O-])c2ccccc2)CC1 ZINC000908898566 939347182 /nfs/dbraw/zinc/34/71/82/939347182.db2.gz KGVCTLBKYQUUOB-NRFANRHFSA-N -1 1 397.479 1.633 20 0 GDADMM Cc1cc([C@@H](NC(=O)c2ccnc(N3CCN(C)CC3)c2)C(=O)[O-])ccc1F ZINC000909792161 939729750 /nfs/dbraw/zinc/72/97/50/939729750.db2.gz IILIHLNYZOBVKX-GOSISDBHSA-N -1 1 386.427 1.837 20 0 GDADMM COc1cccc([C@H](NC(=O)N[C@@H]2CCCN3CCSC[C@H]23)C(=O)[O-])c1 ZINC000929066363 939809695 /nfs/dbraw/zinc/80/96/95/939809695.db2.gz WUJPBRIXENYLFB-OAGGEKHMSA-N -1 1 379.482 1.700 20 0 GDADMM O=C([O-])CC[C@H]1CCCN(CC(=O)NCc2cccc(C(=O)NC3CC3)c2)C1 ZINC001601976434 971099239 /nfs/dbraw/zinc/09/92/39/971099239.db2.gz ADRJZSDNWYRPOD-OAHLLOKOSA-N -1 1 387.480 1.772 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1-c1nn[n-]n1 ZINC000737186115 944979180 /nfs/dbraw/zinc/97/91/80/944979180.db2.gz HFJSQJOMVHTZRD-WHGOUJPWSA-N -1 1 376.442 1.233 20 0 GDADMM CCc1ncsc1C(=O)N1CC[C@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571261117 945422953 /nfs/dbraw/zinc/42/29/53/945422953.db2.gz AKOBRUGFXLIMHN-JTQLQIEISA-N -1 1 385.457 1.027 20 0 GDADMM CCc1ncsc1C(=O)N1CC[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571261117 945422961 /nfs/dbraw/zinc/42/29/61/945422961.db2.gz AKOBRUGFXLIMHN-JTQLQIEISA-N -1 1 385.457 1.027 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1nccs1 ZINC001571261653 945429579 /nfs/dbraw/zinc/42/95/79/945429579.db2.gz HUCSWQHZZXBNTK-WDEREUQCSA-N -1 1 385.457 1.147 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1nccs1 ZINC001571261653 945429583 /nfs/dbraw/zinc/42/95/83/945429583.db2.gz HUCSWQHZZXBNTK-WDEREUQCSA-N -1 1 385.457 1.147 20 0 GDADMM CCc1nc(N[C@H]2C[C@@H](C)N(C(=O)c3nccs3)C2)cc(-c2nnn[n-]2)n1 ZINC001571261903 945432778 /nfs/dbraw/zinc/43/27/78/945432778.db2.gz LXCLHDVCUVIEQD-ZJUUUORDSA-N -1 1 385.457 1.391 20 0 GDADMM CCc1nc(N[C@H]2C[C@@H](C)N(C(=O)c3nccs3)C2)cc(-c2nn[n-]n2)n1 ZINC001571261903 945432786 /nfs/dbraw/zinc/43/27/86/945432786.db2.gz LXCLHDVCUVIEQD-ZJUUUORDSA-N -1 1 385.457 1.391 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)CCc3cscn3)C2)n1 ZINC001571261898 945433405 /nfs/dbraw/zinc/43/34/05/945433405.db2.gz LWEAYFZQYGGTMD-LLVKDONJSA-N -1 1 385.457 1.067 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)CCc3cscn3)C2)n1 ZINC001571261898 945433410 /nfs/dbraw/zinc/43/34/10/945433410.db2.gz LWEAYFZQYGGTMD-LLVKDONJSA-N -1 1 385.457 1.067 20 0 GDADMM CN(C[C@@H]1CCCCN1C(=O)c1cncs1)c1cncc(-c2nnn[n-]2)n1 ZINC001571262376 945436918 /nfs/dbraw/zinc/43/69/18/945436918.db2.gz QOQNPVBKQDESLQ-NSHDSACASA-N -1 1 385.457 1.244 20 0 GDADMM CN(C[C@@H]1CCCCN1C(=O)c1cncs1)c1cncc(-c2nn[n-]n2)n1 ZINC001571262376 945436921 /nfs/dbraw/zinc/43/69/21/945436921.db2.gz QOQNPVBKQDESLQ-NSHDSACASA-N -1 1 385.457 1.244 20 0 GDADMM CCc1ncsc1C(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C[C@H]1C ZINC001571262784 945442147 /nfs/dbraw/zinc/44/21/47/945442147.db2.gz XXBMRLJDFYLZGO-NXEZZACHSA-N -1 1 385.457 1.391 20 0 GDADMM CCc1ncsc1C(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C[C@H]1C ZINC001571262784 945442155 /nfs/dbraw/zinc/44/21/55/945442155.db2.gz XXBMRLJDFYLZGO-NXEZZACHSA-N -1 1 385.457 1.391 20 0 GDADMM Cc1nc(C)c(C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)s1 ZINC001571263186 945451865 /nfs/dbraw/zinc/45/18/65/945451865.db2.gz JQJQUHHHPZCOKT-LLVKDONJSA-N -1 1 385.457 1.129 20 0 GDADMM Cc1nc(C)c(C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)s1 ZINC001571263186 945451867 /nfs/dbraw/zinc/45/18/67/945451867.db2.gz JQJQUHHHPZCOKT-LLVKDONJSA-N -1 1 385.457 1.129 20 0 GDADMM Cc1nsc(NC[C@H]2CC[C@@H](NC(=O)c3ccnnc3)C2)c1-c1nn[n-]n1 ZINC001571263125 945452001 /nfs/dbraw/zinc/45/20/01/945452001.db2.gz IBWHLWPXPOPVCM-CMPLNLGQSA-N -1 1 385.457 1.432 20 0 GDADMM Cc1nscc1C(=O)N[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C ZINC001571263570 945461582 /nfs/dbraw/zinc/46/15/82/945461582.db2.gz UDBKAOVWKXIPTO-LBPRGKRZSA-N -1 1 385.457 1.066 20 0 GDADMM Cc1nscc1C(=O)N[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C ZINC001571263570 945461587 /nfs/dbraw/zinc/46/15/87/945461587.db2.gz UDBKAOVWKXIPTO-LBPRGKRZSA-N -1 1 385.457 1.066 20 0 GDADMM Cc1nsc(NC[C@@H]2CC[C@H](NC(=O)c3cccnn3)C2)c1-c1nn[n-]n1 ZINC001571263657 945464201 /nfs/dbraw/zinc/46/42/01/945464201.db2.gz VXHJFXNAMJZUON-MNOVXSKESA-N -1 1 385.457 1.432 20 0 GDADMM O=C(N[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1)C1(F)CCCC1 ZINC001571264908 945494846 /nfs/dbraw/zinc/49/48/46/945494846.db2.gz ADWAIPYHNRLTTK-QMMMGPOBSA-N -1 1 385.856 1.954 20 0 GDADMM O=C(N[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1)C1(F)CCCC1 ZINC001571264908 945494851 /nfs/dbraw/zinc/49/48/51/945494851.db2.gz ADWAIPYHNRLTTK-QMMMGPOBSA-N -1 1 385.856 1.954 20 0 GDADMM CCN1CCOC[C@@H]1C(=O)Nc1cccc(OC(F)(F)F)c1-c1nn[n-]n1 ZINC001571267110 945561739 /nfs/dbraw/zinc/56/17/39/945561739.db2.gz JJAGVFJXWUFIGJ-SNVBAGLBSA-N -1 1 386.334 1.425 20 0 GDADMM O=C(N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)c1cc(F)ccc1F ZINC001571267157 945563828 /nfs/dbraw/zinc/56/38/28/945563828.db2.gz LDUVRUSNDNVRRM-LLVKDONJSA-N -1 1 386.366 1.334 20 0 GDADMM O=C(N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)c1cc(F)ccc1F ZINC001571267157 945563835 /nfs/dbraw/zinc/56/38/35/945563835.db2.gz LDUVRUSNDNVRRM-LLVKDONJSA-N -1 1 386.366 1.334 20 0 GDADMM O=C(NC1CC2(C1)CC(Nc1cnc(-c3nnn[n-]3)cn1)C2)[C@H]1CC[C@H](F)C1 ZINC001571269037 945609870 /nfs/dbraw/zinc/60/98/70/945609870.db2.gz MWHCHLBNRDFFGF-WNYBMJBXSA-N -1 1 386.435 1.634 20 0 GDADMM O=C(NC1CC2(C1)CC(Nc1cnc(-c3nn[n-]n3)cn1)C2)[C@H]1CC[C@H](F)C1 ZINC001571269037 945609876 /nfs/dbraw/zinc/60/98/76/945609876.db2.gz MWHCHLBNRDFFGF-WNYBMJBXSA-N -1 1 386.435 1.634 20 0 GDADMM COc1cccnc1C(=O)N[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571269727 945625365 /nfs/dbraw/zinc/62/53/65/945625365.db2.gz CXNBPGRKLAOJPM-JTQLQIEISA-N -1 1 386.441 1.044 20 0 GDADMM COc1ccsc1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571270274 945632684 /nfs/dbraw/zinc/63/26/84/945632684.db2.gz PCOFECULOXKNBF-JTQLQIEISA-N -1 1 386.441 1.126 20 0 GDADMM COc1ccsc1C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)[C@H]1C ZINC001571270374 945635656 /nfs/dbraw/zinc/63/56/56/945635656.db2.gz RSIMUBRFIFQFRQ-ZJUUUORDSA-N -1 1 386.441 1.442 20 0 GDADMM COc1ccsc1C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)[C@H]1C ZINC001571270374 945635659 /nfs/dbraw/zinc/63/56/59/945635659.db2.gz RSIMUBRFIFQFRQ-ZJUUUORDSA-N -1 1 386.441 1.442 20 0 GDADMM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)c1occc1Cl ZINC001571271735 945649039 /nfs/dbraw/zinc/64/90/39/945649039.db2.gz ILSBQBVVXOZDQL-QRTLGDNMSA-N -1 1 386.803 1.443 20 0 GDADMM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)c1occc1Cl ZINC001571271735 945649043 /nfs/dbraw/zinc/64/90/43/945649043.db2.gz ILSBQBVVXOZDQL-QRTLGDNMSA-N -1 1 386.803 1.443 20 0 GDADMM Cc1nsc(N2CCC[C@@H](NC(=O)c3ccn(C)c3)[C@H]2C)c1-c1nn[n-]n1 ZINC001571271767 945650899 /nfs/dbraw/zinc/65/08/99/945650899.db2.gz IZURBCYPNAISPO-DGCLKSJQSA-N -1 1 386.485 1.757 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)C[C@@H]1CCCCO1)c1ccc(-c2nnn[n-]2)nn1 ZINC001571272177 945656681 /nfs/dbraw/zinc/65/66/81/945656681.db2.gz ADXBZKIHUXKCGM-KGLIPLIRSA-N -1 1 386.460 1.043 20 0 GDADMM CN(C[C@H]1CCCN1C(=O)C[C@@H]1CCCCO1)c1ccc(-c2nn[n-]n2)nn1 ZINC001571272177 945656685 /nfs/dbraw/zinc/65/66/85/945656685.db2.gz ADXBZKIHUXKCGM-KGLIPLIRSA-N -1 1 386.460 1.043 20 0 GDADMM CN(C(=O)C[C@@H]1CCOC1)C1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001571272432 945661420 /nfs/dbraw/zinc/66/14/20/945661420.db2.gz DOLIZCNPWAYSNK-HSBZDZAISA-N -1 1 386.460 1.265 20 0 GDADMM CN(C(=O)C[C@@H]1CCOC1)C1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001571272432 945661424 /nfs/dbraw/zinc/66/14/24/945661424.db2.gz DOLIZCNPWAYSNK-HSBZDZAISA-N -1 1 386.460 1.265 20 0 GDADMM O=C([C@H]1CCCCO1)N1CCCCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571272430 945662107 /nfs/dbraw/zinc/66/21/07/945662107.db2.gz DMYDGVFULHBZJS-UONOGXRCSA-N -1 1 386.460 1.409 20 0 GDADMM O=C([C@H]1CCCCO1)N1CCCCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571272430 945662123 /nfs/dbraw/zinc/66/21/23/945662123.db2.gz DMYDGVFULHBZJS-UONOGXRCSA-N -1 1 386.460 1.409 20 0 GDADMM O=C([C@H]1CCCOC1)N1CCCCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571272844 945673355 /nfs/dbraw/zinc/67/33/55/945673355.db2.gz JJNMEBLTKUZXMH-UONOGXRCSA-N -1 1 386.460 1.266 20 0 GDADMM O=C([C@H]1CCCOC1)N1CCCCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571272844 945673359 /nfs/dbraw/zinc/67/33/59/945673359.db2.gz JJNMEBLTKUZXMH-UONOGXRCSA-N -1 1 386.460 1.266 20 0 GDADMM CCOC[C@H]1CCN(C(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)C1 ZINC000821367709 945681944 /nfs/dbraw/zinc/68/19/44/945681944.db2.gz MHDHAAOYNMYJEP-AWEZNQCLSA-N -1 1 398.471 1.344 20 0 GDADMM CCOC[C@H]1CCN(C(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)C1 ZINC000821367709 945681949 /nfs/dbraw/zinc/68/19/49/945681949.db2.gz MHDHAAOYNMYJEP-AWEZNQCLSA-N -1 1 398.471 1.344 20 0 GDADMM COc1nscc1S(=O)(=O)[N-]Cc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC001571274955 945701274 /nfs/dbraw/zinc/70/12/74/945701274.db2.gz NJJJGZZIZXYKQK-UHFFFAOYSA-N -1 1 386.846 1.464 20 0 GDADMM O=C(Nc1ccc(Br)c(-c2nnn[n-]2)n1)c1ccnc(C2CC2)n1 ZINC001571275143 945705596 /nfs/dbraw/zinc/70/55/96/945705596.db2.gz QHRXIFPAMDCGCX-UHFFFAOYSA-N -1 1 387.201 1.944 20 0 GDADMM O=C(Nc1ccc(Br)c(-c2nn[n-]n2)n1)c1ccnc(C2CC2)n1 ZINC001571275143 945705603 /nfs/dbraw/zinc/70/56/03/945705603.db2.gz QHRXIFPAMDCGCX-UHFFFAOYSA-N -1 1 387.201 1.944 20 0 GDADMM C[C@@H](C(=O)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C1CCCC1 ZINC001571276129 945725021 /nfs/dbraw/zinc/72/50/21/945725021.db2.gz HUHPFVRFRCJFMH-OCCSQVGLSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](C(=O)N1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C1CCCC1 ZINC001571276129 945725028 /nfs/dbraw/zinc/72/50/28/945725028.db2.gz HUHPFVRFRCJFMH-OCCSQVGLSA-N -1 1 386.460 1.122 20 0 GDADMM CC1(C)CO[C@H](CCC(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571276603 945731938 /nfs/dbraw/zinc/73/19/38/945731938.db2.gz JMAOPLSUNSTGAX-CHWSQXEVSA-N -1 1 386.460 1.265 20 0 GDADMM CC1(C)CO[C@H](CCC(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571276603 945731944 /nfs/dbraw/zinc/73/19/44/945731944.db2.gz JMAOPLSUNSTGAX-CHWSQXEVSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H](C(=O)N1CCCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C1CCC1 ZINC001571277565 945742580 /nfs/dbraw/zinc/74/25/80/945742580.db2.gz LUFFAMRKFCCNNR-GXTWGEPZSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H](C(=O)N1CCCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C1CCC1 ZINC001571277565 945742597 /nfs/dbraw/zinc/74/25/97/945742597.db2.gz LUFFAMRKFCCNNR-GXTWGEPZSA-N -1 1 386.460 1.122 20 0 GDADMM CCn1cc(C(=O)N2CC[C@H](Nc3snc(C)c3-c3nn[n-]n3)[C@@H]2C)cn1 ZINC001571282486 945847963 /nfs/dbraw/zinc/84/79/63/945847963.db2.gz ZXDZOBHPCKUXTA-JQWIXIFHSA-N -1 1 387.473 1.563 20 0 GDADMM CNC(=O)c1ccc(NC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)cc1Cl ZINC001571283745 945889423 /nfs/dbraw/zinc/88/94/23/945889423.db2.gz JBPLQJYIHPWWIS-UHFFFAOYSA-N -1 1 387.787 1.541 20 0 GDADMM Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC[C@@](C)(O)C2)c1-c1nn[nH]n1 ZINC000822015478 945919382 /nfs/dbraw/zinc/91/93/82/945919382.db2.gz KIBWWLXCKXMAEG-LJQANCHMSA-N -1 1 387.488 1.795 20 0 GDADMM COc1cnc([C@H]2CCCN2C(=O)Nc2sccc2-c2nn[nH]n2)[n-]c1=O ZINC001571286269 945943057 /nfs/dbraw/zinc/94/30/57/945943057.db2.gz CNXQGEQXAZESKI-SECBINFHSA-N -1 1 388.413 1.801 20 0 GDADMM C[C@H]1CC[C@H](NC(=O)c2ccc(F)s2)CN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571286349 945945719 /nfs/dbraw/zinc/94/57/19/945945719.db2.gz FIDGEXNWSXDFBL-UWVGGRQHSA-N -1 1 388.432 1.645 20 0 GDADMM C[C@H]1CC[C@H](NC(=O)c2ccc(F)s2)CN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571286349 945945721 /nfs/dbraw/zinc/94/57/21/945945721.db2.gz FIDGEXNWSXDFBL-UWVGGRQHSA-N -1 1 388.432 1.645 20 0 GDADMM C[C@H]1CN(C(=O)c2sccc2F)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571286706 945955995 /nfs/dbraw/zinc/95/59/95/945955995.db2.gz PPAFSISIYLEQHZ-UWVGGRQHSA-N -1 1 388.432 1.678 20 0 GDADMM C[C@H]1CN(C(=O)c2sccc2F)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571286706 945956004 /nfs/dbraw/zinc/95/60/04/945956004.db2.gz PPAFSISIYLEQHZ-UWVGGRQHSA-N -1 1 388.432 1.678 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)c2sccc2F)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571287071 945967690 /nfs/dbraw/zinc/96/76/90/945967690.db2.gz ZSSXJQARXILCDA-CMPLNLGQSA-N -1 1 388.432 1.645 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)c2sccc2F)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571287071 945967694 /nfs/dbraw/zinc/96/76/94/945967694.db2.gz ZSSXJQARXILCDA-CMPLNLGQSA-N -1 1 388.432 1.645 20 0 GDADMM Cc1conc1C(=O)NC[C@@H]1CN(c2snc(C)c2-c2nn[n-]n2)C[C@H]1C ZINC001571289379 946002996 /nfs/dbraw/zinc/00/29/96/946002996.db2.gz BCBJSMAGLDBLEK-LDYMZIIASA-N -1 1 388.457 1.430 20 0 GDADMM O=C(C1CCC(F)CC1)N1CCCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571289706 946016271 /nfs/dbraw/zinc/01/62/71/946016271.db2.gz KSJCAYUTNVPTEV-JXQTWKCFSA-N -1 1 388.451 1.978 20 0 GDADMM O=C(C1CCC(F)CC1)N1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571289706 946016276 /nfs/dbraw/zinc/01/62/76/946016276.db2.gz KSJCAYUTNVPTEV-JXQTWKCFSA-N -1 1 388.451 1.978 20 0 GDADMM C[C@H](C(=O)N1CCC(O)(CNc2cnc(-c3nnn[n-]3)cn2)CC1)C(C)(C)C ZINC001571290021 946026334 /nfs/dbraw/zinc/02/63/34/946026334.db2.gz STMDNIAUUBBJEE-GFCCVEGCSA-N -1 1 388.476 1.104 20 0 GDADMM C[C@H](C(=O)N1CCC(O)(CNc2cnc(-c3nn[n-]n3)cn2)CC1)C(C)(C)C ZINC001571290021 946026342 /nfs/dbraw/zinc/02/63/42/946026342.db2.gz STMDNIAUUBBJEE-GFCCVEGCSA-N -1 1 388.476 1.104 20 0 GDADMM CC[C@H]1CN(C(=O)c2nc[nH]n2)CC[C@H]1Nc1snc(C)c1-c1nn[n-]n1 ZINC001571290115 946027843 /nfs/dbraw/zinc/02/78/43/946027843.db2.gz VMXCJVUMTWXJGM-VHSXEESVSA-N -1 1 388.461 1.103 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NCC2CCN(C(=O)[C@H]3CC[C@@H](F)C3)CC2)n1 ZINC001571290196 946031543 /nfs/dbraw/zinc/03/15/43/946031543.db2.gz XMHSIINIEUBINO-UONOGXRCSA-N -1 1 388.451 1.754 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NCC2CCN(C(=O)[C@H]3CC[C@@H](F)C3)CC2)n1 ZINC001571290196 946031556 /nfs/dbraw/zinc/03/15/56/946031556.db2.gz XMHSIINIEUBINO-UONOGXRCSA-N -1 1 388.451 1.754 20 0 GDADMM CCc1nc(C(=O)N(C)C2CC(Nc3snc(C)c3-c3nn[n-]n3)C2)co1 ZINC001571290167 946031740 /nfs/dbraw/zinc/03/17/40/946031740.db2.gz WRUGZEKLQXOWCM-UHFFFAOYSA-N -1 1 388.457 1.897 20 0 GDADMM O=C(N[C@@H]1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccoc1Cl ZINC001571290441 946041503 /nfs/dbraw/zinc/04/15/03/946041503.db2.gz FFOXHTRAZFPERN-NXEZZACHSA-N -1 1 388.819 1.478 20 0 GDADMM O=C(N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccc(Cl)cc1F ZINC001571290401 946042722 /nfs/dbraw/zinc/04/27/22/946042722.db2.gz CZANORGPCFRDDR-SNVBAGLBSA-N -1 1 388.794 1.458 20 0 GDADMM O=C(N[C@@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1ccc(Cl)o1 ZINC001571290488 946046144 /nfs/dbraw/zinc/04/61/44/946046144.db2.gz GMSPHUDPEQHIKE-VHSXEESVSA-N -1 1 388.819 1.336 20 0 GDADMM CC[C@H](SC)C(=O)N1CC[C@@]2(CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001571290556 946047253 /nfs/dbraw/zinc/04/72/53/946047253.db2.gz ITFHSKUHQWILMN-YVEFUNNKSA-N -1 1 388.501 1.227 20 0 GDADMM CC[C@H](SC)C(=O)N1CC[C@@]2(CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001571290556 946047265 /nfs/dbraw/zinc/04/72/65/946047265.db2.gz ITFHSKUHQWILMN-YVEFUNNKSA-N -1 1 388.501 1.227 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CN(C(=O)c3ccoc3Cl)C[C@H]2C)n1 ZINC001571290679 946052225 /nfs/dbraw/zinc/05/22/25/946052225.db2.gz LPPJQLGYZPWGTD-PRHODGIISA-N -1 1 388.819 1.784 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CN(C(=O)c3ccoc3Cl)C[C@H]2C)n1 ZINC001571290679 946052236 /nfs/dbraw/zinc/05/22/36/946052236.db2.gz LPPJQLGYZPWGTD-PRHODGIISA-N -1 1 388.819 1.784 20 0 GDADMM CC1(C)CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1NC(=O)c1occc1Cl ZINC001571291014 946065170 /nfs/dbraw/zinc/06/51/70/946065170.db2.gz YBXNZLVWYLQFGA-LLVKDONJSA-N -1 1 388.819 1.548 20 0 GDADMM CC1(C)CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1NC(=O)c1occc1Cl ZINC001571291014 946065181 /nfs/dbraw/zinc/06/51/81/946065181.db2.gz YBXNZLVWYLQFGA-LLVKDONJSA-N -1 1 388.819 1.548 20 0 GDADMM CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001571291111 946070112 /nfs/dbraw/zinc/07/01/12/946070112.db2.gz BTDFYSLTCHQRKD-QGZVFWFLSA-N -1 1 389.416 1.226 20 0 GDADMM CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001571291111 946070125 /nfs/dbraw/zinc/07/01/25/946070125.db2.gz BTDFYSLTCHQRKD-QGZVFWFLSA-N -1 1 389.416 1.226 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2CCc3nc(C(C)(C)C)cn3C2)n1 ZINC000822613103 946137753 /nfs/dbraw/zinc/13/77/53/946137753.db2.gz AOEIGBGNKJWUGM-JTQLQIEISA-N -1 1 384.448 1.231 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2CCc3nc(C(C)(C)C)cn3C2)n1 ZINC000822613103 946137758 /nfs/dbraw/zinc/13/77/58/946137758.db2.gz AOEIGBGNKJWUGM-JTQLQIEISA-N -1 1 384.448 1.231 20 0 GDADMM Cc1nsc(N2CCO[C@@H](CNC(=O)[C@@H]3CC34CCC4)C2)c1-c1nn[n-]n1 ZINC001571295027 946152342 /nfs/dbraw/zinc/15/23/42/946152342.db2.gz NQNSQIRWXMNYLR-RYUDHWBXSA-N -1 1 389.485 1.143 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)C1(c2ccccc2)CC1 ZINC001571297867 946199486 /nfs/dbraw/zinc/19/94/86/946199486.db2.gz BTFSPMFLJWZYLJ-CTYIDZIISA-N -1 1 390.451 1.695 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)C1(c2ccccc2)CC1 ZINC001571297867 946199492 /nfs/dbraw/zinc/19/94/92/946199492.db2.gz BTFSPMFLJWZYLJ-CTYIDZIISA-N -1 1 390.451 1.695 20 0 GDADMM O=C(NC[C@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1)[C@@H]1Cc2ccccc21 ZINC001571298283 946210716 /nfs/dbraw/zinc/21/07/16/946210716.db2.gz MKUOXVXJQVYQRK-GDBMZVCRSA-N -1 1 390.451 1.472 20 0 GDADMM O=C(NC[C@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1)[C@@H]1Cc2ccccc21 ZINC001571298283 946210726 /nfs/dbraw/zinc/21/07/26/946210726.db2.gz MKUOXVXJQVYQRK-GDBMZVCRSA-N -1 1 390.451 1.472 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCCN2C(=O)[C@@H]2Cc3ccccc32)n1 ZINC001571299243 946243016 /nfs/dbraw/zinc/24/30/16/946243016.db2.gz PPIQKHYEILGXQL-GOEBONIOSA-N -1 1 390.451 1.708 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCCN2C(=O)[C@@H]2Cc3ccccc32)n1 ZINC001571299243 946243027 /nfs/dbraw/zinc/24/30/27/946243027.db2.gz PPIQKHYEILGXQL-GOEBONIOSA-N -1 1 390.451 1.708 20 0 GDADMM Cc1nsc(N2C[C@H](NC(=O)c3nccs3)C(C)(C)C2)c1-c1nn[n-]n1 ZINC001571299292 946245344 /nfs/dbraw/zinc/24/53/44/946245344.db2.gz VRHVGCWMIMNZCJ-VIFPVBQESA-N -1 1 390.498 1.733 20 0 GDADMM C[C@@]1(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CCc2ccccc21 ZINC001571299415 946248834 /nfs/dbraw/zinc/24/88/34/946248834.db2.gz QGARGLAASQESGZ-VBKZILBWSA-N -1 1 390.451 1.256 20 0 GDADMM C[C@@]1(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CCc2ccccc21 ZINC001571299415 946248845 /nfs/dbraw/zinc/24/88/45/946248845.db2.gz QGARGLAASQESGZ-VBKZILBWSA-N -1 1 390.451 1.256 20 0 GDADMM O=C(N1CCCN(c2nccnc2-c2nnn[n-]2)CC1)C1(c2ccccc2)CC1 ZINC001571299431 946251601 /nfs/dbraw/zinc/25/16/01/946251601.db2.gz WHHSRPILXRSJLV-UHFFFAOYSA-N -1 1 390.451 1.427 20 0 GDADMM O=C(N1CCCN(c2nccnc2-c2nn[n-]n2)CC1)C1(c2ccccc2)CC1 ZINC001571299431 946251612 /nfs/dbraw/zinc/25/16/12/946251612.db2.gz WHHSRPILXRSJLV-UHFFFAOYSA-N -1 1 390.451 1.427 20 0 GDADMM O=C(N[C@@H]1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@H]2C1)c1ccccc1 ZINC001571299527 946253636 /nfs/dbraw/zinc/25/36/36/946253636.db2.gz WQOCZGGNCVCDCR-HRCADAONSA-N -1 1 390.451 1.692 20 0 GDADMM O=C(N[C@@H]1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@H]2C1)c1ccccc1 ZINC001571299527 946253648 /nfs/dbraw/zinc/25/36/48/946253648.db2.gz WQOCZGGNCVCDCR-HRCADAONSA-N -1 1 390.451 1.692 20 0 GDADMM O=C(NC[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccc2c(c1)CCC2 ZINC001571299610 946255930 /nfs/dbraw/zinc/25/59/30/946255930.db2.gz YNPNAVJFYGPHPW-YGUOUDRMSA-N -1 1 390.451 1.766 20 0 GDADMM O=C(NC[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccc2c(c1)CCC2 ZINC001571299610 946255943 /nfs/dbraw/zinc/25/59/43/946255943.db2.gz YNPNAVJFYGPHPW-YGUOUDRMSA-N -1 1 390.451 1.766 20 0 GDADMM O=C([C@H]1CCc2ccccc2C1)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571300010 946269782 /nfs/dbraw/zinc/26/97/82/946269782.db2.gz XZTRHPRZZUJBGM-JKSUJKDBSA-N -1 1 390.451 1.475 20 0 GDADMM O=C([C@H]1CCc2ccccc2C1)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571300010 946269796 /nfs/dbraw/zinc/26/97/96/946269796.db2.gz XZTRHPRZZUJBGM-JKSUJKDBSA-N -1 1 390.451 1.475 20 0 GDADMM CN(c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCCN(C(=O)[C@H]2Cc3ccccc32)C1 ZINC001571300032 946270687 /nfs/dbraw/zinc/27/06/87/946270687.db2.gz YJHLCUGDPLDZOH-HOCLYGCPSA-N -1 1 390.451 1.424 20 0 GDADMM CN(c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCCN(C(=O)[C@H]2Cc3ccccc32)C1 ZINC001571300032 946270693 /nfs/dbraw/zinc/27/06/93/946270693.db2.gz YJHLCUGDPLDZOH-HOCLYGCPSA-N -1 1 390.451 1.424 20 0 GDADMM Cc1ccc(C)c(C(=O)N2CC[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]32)c1 ZINC001571300153 946274283 /nfs/dbraw/zinc/27/42/83/946274283.db2.gz ZWHHMKMEOJINAV-GOEBONIOSA-N -1 1 390.451 1.624 20 0 GDADMM CS[C@H](C)C(=O)N1CCCC[C@H]1CCNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001571300223 946278181 /nfs/dbraw/zinc/27/81/81/946278181.db2.gz XJBXNCUCJKSFEF-OLZOCXBDSA-N -1 1 390.517 1.900 20 0 GDADMM CS[C@H](C)C(=O)N1CCCC[C@H]1CCNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001571300223 946278192 /nfs/dbraw/zinc/27/81/92/946278192.db2.gz XJBXNCUCJKSFEF-OLZOCXBDSA-N -1 1 390.517 1.900 20 0 GDADMM Cc1cc(CO)cc(C)c1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001571302175 946294513 /nfs/dbraw/zinc/29/45/13/946294513.db2.gz QJJFLLPMECMYIF-UHFFFAOYSA-N -1 1 391.428 1.593 20 0 GDADMM COc1ncc(NC(=O)NC[C@@H](O)c2c(F)cccc2F)cc1-c1nn[n-]n1 ZINC001571302378 946302646 /nfs/dbraw/zinc/30/26/46/946302646.db2.gz WDHNZGVURSKJAI-GFCCVEGCSA-N -1 1 391.338 1.404 20 0 GDADMM O=C(c1ocnc1C(F)F)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571302394 946303479 /nfs/dbraw/zinc/30/34/79/946303479.db2.gz WKVUIDGYQBCEML-MRVPVSSYSA-N -1 1 391.342 1.157 20 0 GDADMM O=C(c1ocnc1C(F)F)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571302394 946303489 /nfs/dbraw/zinc/30/34/89/946303489.db2.gz WKVUIDGYQBCEML-MRVPVSSYSA-N -1 1 391.342 1.157 20 0 GDADMM O=C(N[C@@H]1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C1)c1ccccn1 ZINC001571302590 946308916 /nfs/dbraw/zinc/30/89/16/946308916.db2.gz CAZZTKNSNUUYKP-BFHYXJOUSA-N -1 1 391.439 1.087 20 0 GDADMM O=C(N[C@@H]1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1)c1ccccn1 ZINC001571302590 946308929 /nfs/dbraw/zinc/30/89/29/946308929.db2.gz CAZZTKNSNUUYKP-BFHYXJOUSA-N -1 1 391.439 1.087 20 0 GDADMM Cc1ccc(C(=O)N[C@]23CCC[C@H]2CN(c2ccc(-c4nnn[n-]4)nn2)C3)cn1 ZINC001571303303 946332032 /nfs/dbraw/zinc/33/20/32/946332032.db2.gz OJGQRNQIWUTVFR-LIRRHRJNSA-N -1 1 391.439 1.149 20 0 GDADMM Cc1ccc(C(=O)N[C@]23CCC[C@H]2CN(c2ccc(-c4nn[n-]n4)nn2)C3)cn1 ZINC001571303303 946332044 /nfs/dbraw/zinc/33/20/44/946332044.db2.gz OJGQRNQIWUTVFR-LIRRHRJNSA-N -1 1 391.439 1.149 20 0 GDADMM CCc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[n-]n3)n2)c1 ZINC001571303516 946339491 /nfs/dbraw/zinc/33/94/91/946339491.db2.gz MVCUSSOITVZZMQ-KFWWJZLASA-N -1 1 391.439 1.154 20 0 GDADMM Cc1cccc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C23CCC3)n1 ZINC001571303760 946348055 /nfs/dbraw/zinc/34/80/55/946348055.db2.gz XIHXJXPEBQTLLI-CABCVRRESA-N -1 1 391.439 1.513 20 0 GDADMM Cc1cccc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C23CCC3)n1 ZINC001571303760 946348068 /nfs/dbraw/zinc/34/80/68/946348068.db2.gz XIHXJXPEBQTLLI-CABCVRRESA-N -1 1 391.439 1.513 20 0 GDADMM Cc1ncncc1C(=O)N[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571305498 946364266 /nfs/dbraw/zinc/36/42/66/946364266.db2.gz CLFIMUJFNZFYTG-MRVPVSSYSA-N -1 1 391.848 1.084 20 0 GDADMM Cc1nsc(N2CCC[C@H]2CNC(=O)[C@H]2CCCOCC2)c1-c1nn[n-]n1 ZINC001571305591 946366702 /nfs/dbraw/zinc/36/67/02/946366702.db2.gz GKZUBOPZWSODRP-STQMWFEESA-N -1 1 391.501 1.533 20 0 GDADMM Cc1nsc(NCC[C@H]2CCN(C(=O)C[C@H]3CCOC3)C2)c1-c1nn[n-]n1 ZINC001571305653 946371143 /nfs/dbraw/zinc/37/11/43/946371143.db2.gz IMWDYLXVNCFCFL-QWHCGFSZSA-N -1 1 391.501 1.709 20 0 GDADMM Cc1nsc(N2CCC[C@H](NC(=O)C3(C)CCOCC3)C2)c1-c1nn[n-]n1 ZINC001571305813 946375902 /nfs/dbraw/zinc/37/59/02/946375902.db2.gz KOWAWHOHXPQNHD-LBPRGKRZSA-N -1 1 391.501 1.533 20 0 GDADMM Cc1nsc(N2CC[C@H](N(C)C(=O)C[C@@H]3CCCCO3)C2)c1-c1nn[n-]n1 ZINC001571306114 946388186 /nfs/dbraw/zinc/38/81/86/946388186.db2.gz POWULRIAKNWMFU-STQMWFEESA-N -1 1 391.501 1.628 20 0 GDADMM Cc1nsc(NCC[C@H]2CCCCN2C(=O)[C@@H]2CCCO2)c1-c1nn[n-]n1 ZINC001571306682 946407214 /nfs/dbraw/zinc/40/72/14/946407214.db2.gz ZLWGZGZXTNXQJJ-OLZOCXBDSA-N -1 1 391.501 1.994 20 0 GDADMM CN(C(=O)C[C@@H]1CCCC1(F)F)C1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571307912 946427005 /nfs/dbraw/zinc/42/70/05/946427005.db2.gz JTJZTZPEUOZOEC-UNXYVOJBSA-N -1 1 392.414 1.884 20 0 GDADMM CN(C(=O)C[C@@H]1CCCC1(F)F)C1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571307912 946427015 /nfs/dbraw/zinc/42/70/15/946427015.db2.gz JTJZTZPEUOZOEC-UNXYVOJBSA-N -1 1 392.414 1.884 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](NC(=O)[C@H]3C[C@@H]3C(F)F)CC2)n1 ZINC001571308764 946438187 /nfs/dbraw/zinc/43/81/87/946438187.db2.gz SQYXQJVCFXJMSX-SRVKXCTJSA-N -1 1 392.414 1.341 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H](NC(=O)[C@H]3C[C@@H]3C(F)F)CC2)n1 ZINC001571308764 946438190 /nfs/dbraw/zinc/43/81/90/946438190.db2.gz SQYXQJVCFXJMSX-SRVKXCTJSA-N -1 1 392.414 1.341 20 0 GDADMM O=C([C@@H]1Cc2ccccc2O1)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571309651 946451911 /nfs/dbraw/zinc/45/19/11/946451911.db2.gz GTIMZRCGLWRLPV-ZFWWWQNUSA-N -1 1 392.423 1.063 20 0 GDADMM O=C([C@@H]1Cc2ccccc2O1)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571309651 946451913 /nfs/dbraw/zinc/45/19/13/946451913.db2.gz GTIMZRCGLWRLPV-ZFWWWQNUSA-N -1 1 392.423 1.063 20 0 GDADMM O=C(C[C@@H]1OCc2ccccc21)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571309794 946452748 /nfs/dbraw/zinc/45/27/48/946452748.db2.gz LBNKJGZSKLHYFK-CJNGLKHVSA-N -1 1 392.423 1.013 20 0 GDADMM O=C(C[C@@H]1OCc2ccccc21)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571309794 946452761 /nfs/dbraw/zinc/45/27/61/946452761.db2.gz LBNKJGZSKLHYFK-CJNGLKHVSA-N -1 1 392.423 1.013 20 0 GDADMM O=C(NC[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)[C@H]1CCCCC1(F)F ZINC001571309773 946453085 /nfs/dbraw/zinc/45/30/85/946453085.db2.gz KKSMWKBRWNHPOP-IJLUTSLNSA-N -1 1 392.414 1.789 20 0 GDADMM O=C(NC[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)[C@H]1CCCCC1(F)F ZINC001571309773 946453091 /nfs/dbraw/zinc/45/30/91/946453091.db2.gz KKSMWKBRWNHPOP-IJLUTSLNSA-N -1 1 392.414 1.789 20 0 GDADMM CC(=O)N[C@H]1C[C@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)Oc2ccccc21 ZINC001571310137 946463907 /nfs/dbraw/zinc/46/39/07/946463907.db2.gz WEXIOECSBGMGAA-LIRRHRJNSA-N -1 1 392.423 1.266 20 0 GDADMM CC(=O)N[C@H]1C[C@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)Oc2ccccc21 ZINC001571310137 946463914 /nfs/dbraw/zinc/46/39/14/946463914.db2.gz WEXIOECSBGMGAA-LIRRHRJNSA-N -1 1 392.423 1.266 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C)c1ccccc1 ZINC001571312680 946497842 /nfs/dbraw/zinc/49/78/42/946497842.db2.gz AIMVMUSTQXVLCF-CJNGLKHVSA-N -1 1 392.467 1.791 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C)c1ccccc1 ZINC001571312680 946497852 /nfs/dbraw/zinc/49/78/52/946497852.db2.gz AIMVMUSTQXVLCF-CJNGLKHVSA-N -1 1 392.467 1.791 20 0 GDADMM CC[C@@H](Cc1ccccc1)C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571312935 946506292 /nfs/dbraw/zinc/50/62/92/946506292.db2.gz FXSGGXFBTPBSQT-HOTGVXAUSA-N -1 1 392.467 1.938 20 0 GDADMM CC[C@@H](Cc1ccccc1)C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571312935 946506299 /nfs/dbraw/zinc/50/62/99/946506299.db2.gz FXSGGXFBTPBSQT-HOTGVXAUSA-N -1 1 392.467 1.938 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001571313288 946518877 /nfs/dbraw/zinc/51/88/77/946518877.db2.gz LPIUKRIDKPRGFW-HOCLYGCPSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001571313288 946518883 /nfs/dbraw/zinc/51/88/83/946518883.db2.gz LPIUKRIDKPRGFW-HOCLYGCPSA-N -1 1 392.467 1.888 20 0 GDADMM Cc1cc(C)cc(CC(=O)N2CC[C@@H](N(C)c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571314931 946547605 /nfs/dbraw/zinc/54/76/05/946547605.db2.gz DRYPVMNFZJHIMS-MRXNPFEDSA-N -1 1 392.467 1.553 20 0 GDADMM Cc1cc(C)cc(CC(=O)N2CC[C@@H](N(C)c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571314931 946547610 /nfs/dbraw/zinc/54/76/10/946547610.db2.gz DRYPVMNFZJHIMS-MRXNPFEDSA-N -1 1 392.467 1.553 20 0 GDADMM CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000824079117 946578123 /nfs/dbraw/zinc/57/81/23/946578123.db2.gz MTQOZCKDWHUFLS-LBPRGKRZSA-N -1 1 390.469 1.849 20 0 GDADMM Cc1ccccc1[C@H](C)C(=O)N(C)C1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571316904 946593157 /nfs/dbraw/zinc/59/31/57/946593157.db2.gz PMLPQWGSWURMRW-NFOMZHRRSA-N -1 1 392.467 1.592 20 0 GDADMM O=C(Cc1ccc[nH]1)NC1CC(CNc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571317326 946606858 /nfs/dbraw/zinc/60/68/58/946606858.db2.gz CZZNDODPLDTHQC-UHFFFAOYSA-N -1 1 392.876 1.854 20 0 GDADMM O=C(Cc1ccc[nH]1)NC1CC(CNc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571317326 946606866 /nfs/dbraw/zinc/60/68/66/946606866.db2.gz CZZNDODPLDTHQC-UHFFFAOYSA-N -1 1 392.876 1.854 20 0 GDADMM Cc1c(C(=O)N[C@@H]2CCN(c3nc(Cl)c(-c4nnn[n-]4)s3)C2)ccn1C ZINC001571317504 946610440 /nfs/dbraw/zinc/61/04/40/946610440.db2.gz KIPHPCQELXNXDI-SECBINFHSA-N -1 1 392.876 1.632 20 0 GDADMM Cc1c(C(=O)N[C@@H]2CCN(c3nc(Cl)c(-c4nn[n-]n4)s3)C2)ccn1C ZINC001571317504 946610444 /nfs/dbraw/zinc/61/04/44/946610444.db2.gz KIPHPCQELXNXDI-SECBINFHSA-N -1 1 392.876 1.632 20 0 GDADMM Brc1cnc([C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)nc1 ZINC001573280757 946668376 /nfs/dbraw/zinc/66/83/76/946668376.db2.gz ZQNDDPPQHXMYKR-VIFPVBQESA-N -1 1 388.233 1.593 20 0 GDADMM Brc1cnc([C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)nc1 ZINC001573280757 946668382 /nfs/dbraw/zinc/66/83/82/946668382.db2.gz ZQNDDPPQHXMYKR-VIFPVBQESA-N -1 1 388.233 1.593 20 0 GDADMM CCOC(=O)[C@H](CNC(=O)Cc1noc(C)c1-c1nnn[n-]1)c1ccccc1 ZINC000825493910 947205756 /nfs/dbraw/zinc/20/57/56/947205756.db2.gz QJQFORLCLDGBAV-CYBMUJFWSA-N -1 1 384.396 1.169 20 0 GDADMM CCOC(=O)[C@H](CNC(=O)Cc1noc(C)c1-c1nn[n-]n1)c1ccccc1 ZINC000825493910 947205767 /nfs/dbraw/zinc/20/57/67/947205767.db2.gz QJQFORLCLDGBAV-CYBMUJFWSA-N -1 1 384.396 1.169 20 0 GDADMM CCOC(=O)CC1(CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)CCCCC1 ZINC000825506035 947209203 /nfs/dbraw/zinc/20/92/03/947209203.db2.gz CCJHUVPAGIGIRB-UHFFFAOYSA-N -1 1 390.444 1.726 20 0 GDADMM CCOC(=O)CC1(CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)CCCCC1 ZINC000825506035 947209214 /nfs/dbraw/zinc/20/92/14/947209214.db2.gz CCJHUVPAGIGIRB-UHFFFAOYSA-N -1 1 390.444 1.726 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)N2CCC[C@H]3CCCC[C@H]32)c1-c1nn[n-]n1 ZINC000825565209 947224258 /nfs/dbraw/zinc/22/42/58/947224258.db2.gz NXLKWHXHDPJUHK-TZMCWYRMSA-N -1 1 387.444 1.421 20 0 GDADMM CCOC(=O)c1cnn(CCOc2cccc(C(=O)OC)c2)c1-c1nn[n-]n1 ZINC000825570104 947229083 /nfs/dbraw/zinc/22/90/83/947229083.db2.gz FOVGBNXEJHGFSS-UHFFFAOYSA-N -1 1 386.368 1.106 20 0 GDADMM CCOC(=O)c1cnn(Cc2cc(=O)oc3cc(CC)ccc23)c1-c1nn[n-]n1 ZINC000825571217 947232851 /nfs/dbraw/zinc/23/28/51/947232851.db2.gz VLYNRDAEKKLTJW-UHFFFAOYSA-N -1 1 394.391 1.957 20 0 GDADMM C=C/C(C)=C/CC(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@]2(C)C1 ZINC001573315115 947242145 /nfs/dbraw/zinc/24/21/45/947242145.db2.gz AQCIYSOMSQQOER-UGYBZCEKSA-N -1 1 380.456 1.464 20 0 GDADMM C=C/C(C)=C/CC(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@]2(C)C1 ZINC001573315115 947242155 /nfs/dbraw/zinc/24/21/55/947242155.db2.gz AQCIYSOMSQQOER-UGYBZCEKSA-N -1 1 380.456 1.464 20 0 GDADMM C=C/C(C)=C\CC(=O)N[C@@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)C[C@@H]1O ZINC001573317214 947293687 /nfs/dbraw/zinc/29/36/87/947293687.db2.gz MRFZAEWMSWDQNA-LTAOASPFSA-N -1 1 395.876 1.165 20 0 GDADMM C=C/C(C)=C\CC(=O)N[C@@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)C[C@@H]1O ZINC001573317214 947293696 /nfs/dbraw/zinc/29/36/96/947293696.db2.gz MRFZAEWMSWDQNA-LTAOASPFSA-N -1 1 395.876 1.165 20 0 GDADMM CCc1ccc(N2CCN(C(=O)Cc3noc(C)c3-c3nnn[n-]3)CC2)cc1 ZINC000825712436 947297871 /nfs/dbraw/zinc/29/78/71/947297871.db2.gz RYLNKOSEOLXKEE-UHFFFAOYSA-N -1 1 381.440 1.617 20 0 GDADMM CCc1ccc(N2CCN(C(=O)Cc3noc(C)c3-c3nn[n-]n3)CC2)cc1 ZINC000825712436 947297880 /nfs/dbraw/zinc/29/78/80/947297880.db2.gz RYLNKOSEOLXKEE-UHFFFAOYSA-N -1 1 381.440 1.617 20 0 GDADMM C=C/C(C)=C\CC(=O)N[C@@H]1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)C[C@H]1O ZINC001573318891 947317600 /nfs/dbraw/zinc/31/76/00/947317600.db2.gz SYXBQJSOPXTARQ-QPGUZKIZSA-N -1 1 395.876 1.165 20 0 GDADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1ccc(-c2nnn[n-]2)nn1)C(C)(F)F ZINC001573591802 947319196 /nfs/dbraw/zinc/31/91/96/947319196.db2.gz FRQFYTLRRALMPD-SNVBAGLBSA-N -1 1 382.419 1.845 20 0 GDADMM C[C@H](C(=O)N(C)CC(C)(C)CNc1ccc(-c2nn[n-]n2)nn1)C(C)(F)F ZINC001573591802 947319208 /nfs/dbraw/zinc/31/92/08/947319208.db2.gz FRQFYTLRRALMPD-SNVBAGLBSA-N -1 1 382.419 1.845 20 0 GDADMM C[C@H](C(=O)N(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1ccco1 ZINC001573593192 947364942 /nfs/dbraw/zinc/36/49/42/947364942.db2.gz IRNVTBWXFWVDGN-WCQYABFASA-N -1 1 382.428 1.124 20 0 GDADMM C[C@H](C(=O)N(C)CCCN(C)c1ccnc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001573597417 947437298 /nfs/dbraw/zinc/43/72/98/947437298.db2.gz OFPPSVXTWCFCAP-ZDUSSCGKSA-N -1 1 381.444 1.140 20 0 GDADMM C[C@@H](C(=O)N(C)CCNc1nc(Cl)c(-c2nnn[n-]2)s1)n1cccn1 ZINC001573602935 947474089 /nfs/dbraw/zinc/47/40/89/947474089.db2.gz BWHSGUOHHUODJL-QMMMGPOBSA-N -1 1 381.853 1.305 20 0 GDADMM C[C@@H](C(=O)N(C)CCNc1nc(Cl)c(-c2nn[n-]n2)s1)n1cccn1 ZINC001573602935 947474098 /nfs/dbraw/zinc/47/40/98/947474098.db2.gz BWHSGUOHHUODJL-QMMMGPOBSA-N -1 1 381.853 1.305 20 0 GDADMM C[C@@H](C(=O)N(C)CCNc1nccnc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC001573604283 947508878 /nfs/dbraw/zinc/50/88/78/947508878.db2.gz NHTOADGHJJSPBZ-SNVBAGLBSA-N -1 1 388.382 1.609 20 0 GDADMM C[C@@H](C(=O)N(C)CCNc1nccnc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC001573604283 947508892 /nfs/dbraw/zinc/50/88/92/947508892.db2.gz NHTOADGHJJSPBZ-SNVBAGLBSA-N -1 1 388.382 1.609 20 0 GDADMM C[C@H](C(=O)N(C)CCNc1nc(-c2nn[n-]n2)c(Cl)s1)n1cccc1 ZINC001573604506 947512377 /nfs/dbraw/zinc/51/23/77/947512377.db2.gz ODZGLMBSXKHPQB-SECBINFHSA-N -1 1 380.865 1.910 20 0 GDADMM C[C@@H](C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1)[C@H](C)C(C)(C)C ZINC001573604572 947514147 /nfs/dbraw/zinc/51/41/47/947514147.db2.gz PFNZESMGZMSNTQ-OLZOCXBDSA-N -1 1 390.492 1.208 20 0 GDADMM C[C@@H](C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1)[C@H](C)C(C)(C)C ZINC001573604572 947514151 /nfs/dbraw/zinc/51/41/51/947514151.db2.gz PFNZESMGZMSNTQ-OLZOCXBDSA-N -1 1 390.492 1.208 20 0 GDADMM COc1cc(C)c(CN(C)C(=O)Cc2noc(C)c2-c2nnn[n-]2)cc1OC ZINC000826178182 947551339 /nfs/dbraw/zinc/55/13/39/947551339.db2.gz NFVCZDLRMZVJOQ-UHFFFAOYSA-N -1 1 386.412 1.690 20 0 GDADMM COc1cc(C)c(CN(C)C(=O)Cc2noc(C)c2-c2nn[n-]n2)cc1OC ZINC000826178182 947551344 /nfs/dbraw/zinc/55/13/44/947551344.db2.gz NFVCZDLRMZVJOQ-UHFFFAOYSA-N -1 1 386.412 1.690 20 0 GDADMM C[C@H](C(=O)N1CC[C@@](C)(CNc2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001573614781 947592655 /nfs/dbraw/zinc/59/26/55/947592655.db2.gz OZRJFKKHMMFHKP-OTYXRUKQSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@H](C(=O)N1CC[C@@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001573614781 947592667 /nfs/dbraw/zinc/59/26/67/947592667.db2.gz OZRJFKKHMMFHKP-OTYXRUKQSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CN(C)c2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001573614794 947593043 /nfs/dbraw/zinc/59/30/43/947593043.db2.gz HIWWHXQOOCOZEN-KGLIPLIRSA-N -1 1 381.444 1.004 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CN(C)c2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001573614794 947593053 /nfs/dbraw/zinc/59/30/53/947593053.db2.gz HIWWHXQOOCOZEN-KGLIPLIRSA-N -1 1 381.444 1.004 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CN(C)c2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001573614793 947593252 /nfs/dbraw/zinc/59/32/52/947593252.db2.gz HIWWHXQOOCOZEN-KBPBESRZSA-N -1 1 381.444 1.004 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CN(C)c2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001573614793 947593261 /nfs/dbraw/zinc/59/32/61/947593261.db2.gz HIWWHXQOOCOZEN-KBPBESRZSA-N -1 1 381.444 1.004 20 0 GDADMM C=CS(=O)(=O)CCC(=O)Nc1c(C)c(-c2nnn[n-]2)nn1-c1ccccc1 ZINC001573350632 947600095 /nfs/dbraw/zinc/60/00/95/947600095.db2.gz HUGANTZRCKVLCI-UHFFFAOYSA-N -1 1 387.425 1.248 20 0 GDADMM C=CS(=O)(=O)CCC(=O)Nc1c(C)c(-c2nn[n-]n2)nn1-c1ccccc1 ZINC001573350632 947600098 /nfs/dbraw/zinc/60/00/98/947600098.db2.gz HUGANTZRCKVLCI-UHFFFAOYSA-N -1 1 387.425 1.248 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@H]([C@@H](C)Nc3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573352127 947626101 /nfs/dbraw/zinc/62/61/01/947626101.db2.gz VXJLMDDTNGZZJT-CJNGLKHVSA-N -1 1 390.451 1.684 20 0 GDADMM C[C@H](C(=O)N1CCC(C)(Nc2cncc(-c3nnn[n-]3)n2)CC1)[C@H]1CCCO1 ZINC001573616751 947627053 /nfs/dbraw/zinc/62/70/53/947627053.db2.gz NLDFJNKKJRZDKL-GXTWGEPZSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H](C(=O)N1CCC(C)(Nc2cncc(-c3nn[n-]n3)n2)CC1)[C@H]1CCCO1 ZINC001573616751 947627061 /nfs/dbraw/zinc/62/70/61/947627061.db2.gz NLDFJNKKJRZDKL-GXTWGEPZSA-N -1 1 386.460 1.265 20 0 GDADMM C=Cc1ccc(C(=O)N(C)[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001573352156 947628715 /nfs/dbraw/zinc/62/87/15/947628715.db2.gz WQRCLSGGHPOJMO-HNNXBMFYSA-N -1 1 376.424 1.651 20 0 GDADMM C=Cc1ccc(C(=O)N(C)[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573352156 947628723 /nfs/dbraw/zinc/62/87/23/947628723.db2.gz WQRCLSGGHPOJMO-HNNXBMFYSA-N -1 1 376.424 1.651 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@H]2CCCN2c2cnc(-c3nnn[n-]3)cn2)cc1 ZINC001573354409 947632127 /nfs/dbraw/zinc/63/21/27/947632127.db2.gz BZHPLJHEHRXKHE-OAHLLOKOSA-N -1 1 376.424 1.699 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@H]2CCCN2c2cnc(-c3nn[n-]n3)cn2)cc1 ZINC001573354409 947632137 /nfs/dbraw/zinc/63/21/37/947632137.db2.gz BZHPLJHEHRXKHE-OAHLLOKOSA-N -1 1 376.424 1.699 20 0 GDADMM C[C@@H](C(=O)N1CCC(CNc2cnc(-c3nnn[n-]3)cn2)CC1)n1cccc1 ZINC001573616949 947632514 /nfs/dbraw/zinc/63/25/14/947632514.db2.gz KATFBXVQKVHVBY-ZDUSSCGKSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@@H](C(=O)N1CCC(CNc2cnc(-c3nn[n-]n3)cn2)CC1)n1cccc1 ZINC001573616949 947632518 /nfs/dbraw/zinc/63/25/18/947632518.db2.gz KATFBXVQKVHVBY-ZDUSSCGKSA-N -1 1 381.444 1.370 20 0 GDADMM C=Cc1ccc(C(=O)N[C@H](C)C[C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001573354400 947632658 /nfs/dbraw/zinc/63/26/58/947632658.db2.gz BTDLLFHOHOGDBK-CHWSQXEVSA-N -1 1 378.440 1.731 20 0 GDADMM C[C@H](C(=O)N1CCC(CNc2ccc(-c3nnn[n-]3)nn2)CC1)C(C)(F)F ZINC001573617941 947642859 /nfs/dbraw/zinc/64/28/59/947642859.db2.gz RBZNCCNQYNRQBQ-SNVBAGLBSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H](C(=O)N1CCC(CNc2ccc(-c3nn[n-]n3)nn2)CC1)C(C)(F)F ZINC001573617941 947642867 /nfs/dbraw/zinc/64/28/67/947642867.db2.gz RBZNCCNQYNRQBQ-SNVBAGLBSA-N -1 1 380.403 1.599 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@H](Nc2nccnc2-c2nnn[n-]2)C2CC2)cc1 ZINC001573355448 947643789 /nfs/dbraw/zinc/64/37/89/947643789.db2.gz PKWUUMKHURAPFR-HNNXBMFYSA-N -1 1 376.424 1.920 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@H](Nc2nccnc2-c2nn[n-]n2)C2CC2)cc1 ZINC001573355448 947643792 /nfs/dbraw/zinc/64/37/92/947643792.db2.gz PKWUUMKHURAPFR-HNNXBMFYSA-N -1 1 376.424 1.920 20 0 GDADMM C[C@@H](C(=O)N1CCC(N(C)c2nccnc2-c2nnn[n-]2)CC1)C(F)(F)F ZINC001573619217 947663431 /nfs/dbraw/zinc/66/34/31/947663431.db2.gz UVQQDMQHIGJUGJ-VIFPVBQESA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H](C(=O)N1CCC(N(C)c2nccnc2-c2nn[n-]n2)CC1)C(F)(F)F ZINC001573619217 947663438 /nfs/dbraw/zinc/66/34/38/947663438.db2.gz UVQQDMQHIGJUGJ-VIFPVBQESA-N -1 1 384.366 1.282 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CCNc2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001573619465 947665462 /nfs/dbraw/zinc/66/54/62/947665462.db2.gz WIYAZDWKJPYVLN-STQMWFEESA-N -1 1 382.428 1.704 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CCNc2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001573619465 947665468 /nfs/dbraw/zinc/66/54/68/947665468.db2.gz WIYAZDWKJPYVLN-STQMWFEESA-N -1 1 382.428 1.704 20 0 GDADMM C=Cc1ccc(C(=O)NCC[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573358886 947672550 /nfs/dbraw/zinc/67/25/50/947672550.db2.gz KZVGLXQYTSPZDB-HNNXBMFYSA-N -1 1 390.451 1.946 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001573620124 947677421 /nfs/dbraw/zinc/67/74/21/947677421.db2.gz XVXNQELJGIADBU-NXEZZACHSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001573620124 947677425 /nfs/dbraw/zinc/67/74/25/947677425.db2.gz XVXNQELJGIADBU-NXEZZACHSA-N -1 1 384.366 1.506 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC1(CCO)CCCCC1 ZINC000826233033 947683030 /nfs/dbraw/zinc/68/30/30/947683030.db2.gz RDUXZNJTINKCFI-UHFFFAOYSA-N -1 1 388.472 1.718 20 0 GDADMM C/C(=C/C(=O)N1C[C@@H]2CN(c3snc(C)c3-c3nn[n-]n3)C[C@@H]2C1)C1CC1 ZINC001573363228 947710524 /nfs/dbraw/zinc/71/05/24/947710524.db2.gz MTDDRWAGQOJMMU-QCNRNOMUSA-N -1 1 385.497 1.883 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)c1ccsc1 ZINC001573627432 947724604 /nfs/dbraw/zinc/72/46/04/947724604.db2.gz BHOIHWMMDUEXEU-AAEUAGOBSA-N -1 1 384.469 1.347 20 0 GDADMM C[C@H](C(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573627724 947732968 /nfs/dbraw/zinc/73/29/68/947732968.db2.gz FRYVVLQQJABLRR-DZGCQCFKSA-N -1 1 384.488 1.698 20 0 GDADMM C/C(=C\C(=O)N1C[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1)C1CC1 ZINC001573366341 947739137 /nfs/dbraw/zinc/73/91/37/947739137.db2.gz VRAYEBABSSXVCO-QQAGXBGCSA-N -1 1 380.456 1.298 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1)C(C)(F)F ZINC001573628006 947744189 /nfs/dbraw/zinc/74/41/89/947744189.db2.gz FBKKHBRNUWSCSF-GHMZBOCLSA-N -1 1 380.403 1.375 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1)C(C)(F)F ZINC001573628006 947744215 /nfs/dbraw/zinc/74/42/15/947744215.db2.gz FBKKHBRNUWSCSF-GHMZBOCLSA-N -1 1 380.403 1.375 20 0 GDADMM CC(C(=O)N1CC[C@@H]2[C@H](CCN2c2ccc(-c3nnn[n-]3)nn2)C1)=C1CCC1 ZINC001573628762 947763857 /nfs/dbraw/zinc/76/38/57/947763857.db2.gz JWBNQFPYBJVUIP-GDBMZVCRSA-N -1 1 380.456 1.584 20 0 GDADMM CC(C(=O)N1CC[C@@H]2[C@H](CCN2c2ccc(-c3nn[n-]n3)nn2)C1)=C1CCC1 ZINC001573628762 947763862 /nfs/dbraw/zinc/76/38/62/947763862.db2.gz JWBNQFPYBJVUIP-GDBMZVCRSA-N -1 1 380.456 1.584 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1)C1CCCC1 ZINC001573628846 947764989 /nfs/dbraw/zinc/76/49/89/947764989.db2.gz KPUYRXFBKKHNNQ-HIFRSBDPSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1)C1CCCC1 ZINC001573628846 947764996 /nfs/dbraw/zinc/76/49/96/947764996.db2.gz KPUYRXFBKKHNNQ-HIFRSBDPSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1cncc(-c2nnn[n-]2)n1)C1CCCC1 ZINC001573628868 947765032 /nfs/dbraw/zinc/76/50/32/947765032.db2.gz OSUSSTDZHPDSCO-HIFRSBDPSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1cncc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573628868 947765038 /nfs/dbraw/zinc/76/50/38/947765038.db2.gz OSUSSTDZHPDSCO-HIFRSBDPSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001573629260 947775631 /nfs/dbraw/zinc/77/56/31/947775631.db2.gz NBDHJAQOHXJOFJ-NXEZZACHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001573629260 947775636 /nfs/dbraw/zinc/77/56/36/947775636.db2.gz NBDHJAQOHXJOFJ-NXEZZACHSA-N -1 1 384.366 1.282 20 0 GDADMM CC(=O)CCCC(=O)N1CCCCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573372833 947784477 /nfs/dbraw/zinc/78/44/77/947784477.db2.gz DNFVWDSFIQIYKN-AWEZNQCLSA-N -1 1 386.460 1.599 20 0 GDADMM CC(=O)CCCC(=O)N1CCCCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573372833 947784482 /nfs/dbraw/zinc/78/44/82/947784482.db2.gz DNFVWDSFIQIYKN-AWEZNQCLSA-N -1 1 386.460 1.599 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)nn1)C(C)(C)C ZINC001573630526 947792107 /nfs/dbraw/zinc/79/21/07/947792107.db2.gz YJUHRNXNHFHWQU-YUELXQCFSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)nn1)C(C)(C)C ZINC001573630526 947792121 /nfs/dbraw/zinc/79/21/21/947792121.db2.gz YJUHRNXNHFHWQU-YUELXQCFSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573631463 947803107 /nfs/dbraw/zinc/80/31/07/947803107.db2.gz VIDIIDPWSHOJTE-HIFRSBDPSA-N -1 1 384.488 1.910 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001573374174 947806633 /nfs/dbraw/zinc/80/66/33/947806633.db2.gz NEJCVPVHHLMCIN-CQSZACIVSA-N -1 1 386.460 1.021 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1)C1CCC1 ZINC001573637465 947815439 /nfs/dbraw/zinc/81/54/39/947815439.db2.gz DWDCSFHJIWFYMH-HIFRSBDPSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1)C1CCC1 ZINC001573637465 947815445 /nfs/dbraw/zinc/81/54/45/947815445.db2.gz DWDCSFHJIWFYMH-HIFRSBDPSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)C1CCC1 ZINC001573638567 947840222 /nfs/dbraw/zinc/84/02/22/947840222.db2.gz PYACXXOYNSXINA-IVMMDQJWSA-N -1 1 382.472 1.520 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)C1CCC1 ZINC001573638567 947840226 /nfs/dbraw/zinc/84/02/26/947840226.db2.gz PYACXXOYNSXINA-IVMMDQJWSA-N -1 1 382.472 1.520 20 0 GDADMM CC(=O)CCCC(=O)NC1(CNc2cnc(-c3nnn[n-]3)cn2)CCCCC1 ZINC001573376859 947843378 /nfs/dbraw/zinc/84/33/78/947843378.db2.gz ZOYMKARFTNQVAJ-UHFFFAOYSA-N -1 1 386.460 1.647 20 0 GDADMM CC(=O)CCCC(=O)NC1(CNc2cnc(-c3nn[n-]n3)cn2)CCCCC1 ZINC001573376859 947843387 /nfs/dbraw/zinc/84/33/87/947843387.db2.gz ZOYMKARFTNQVAJ-UHFFFAOYSA-N -1 1 386.460 1.647 20 0 GDADMM Cc1onc(CC(=O)Nc2cc(C)ccc2NS(C)(=O)=O)c1-c1nnn[n-]1 ZINC000826291661 947847571 /nfs/dbraw/zinc/84/75/71/947847571.db2.gz PTBWAHINIZOTEF-UHFFFAOYSA-N -1 1 391.413 1.024 20 0 GDADMM Cc1onc(CC(=O)Nc2cc(C)ccc2NS(C)(=O)=O)c1-c1nn[n-]n1 ZINC000826291661 947847575 /nfs/dbraw/zinc/84/75/75/947847575.db2.gz PTBWAHINIZOTEF-UHFFFAOYSA-N -1 1 391.413 1.024 20 0 GDADMM CC(=O)CCCC(=O)N1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)CC1 ZINC001573377743 947852691 /nfs/dbraw/zinc/85/26/91/947852691.db2.gz SJNSPALWZURHCE-UHFFFAOYSA-N -1 1 383.865 1.385 20 0 GDADMM CC(=O)CCCC(=O)N1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)CC1 ZINC001573377743 947852699 /nfs/dbraw/zinc/85/26/99/947852699.db2.gz SJNSPALWZURHCE-UHFFFAOYSA-N -1 1 383.865 1.385 20 0 GDADMM C[C@H](C(=O)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)c1ccccc1F ZINC001573642186 947859208 /nfs/dbraw/zinc/85/92/08/947859208.db2.gz OJNYRSBXOMSBFP-LBPRGKRZSA-N -1 1 382.403 1.248 20 0 GDADMM C[C@H](C(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)c1cccc(F)c1 ZINC001573644114 947867437 /nfs/dbraw/zinc/86/74/37/947867437.db2.gz YVRIGJQAWHFSOU-LBPRGKRZSA-N -1 1 382.403 1.248 20 0 GDADMM C[C@H](C(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)c1cccc(F)c1 ZINC001573644114 947867442 /nfs/dbraw/zinc/86/74/42/947867442.db2.gz YVRIGJQAWHFSOU-LBPRGKRZSA-N -1 1 382.403 1.248 20 0 GDADMM CC(=O)CCCC(=O)NC[C@H](C)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573381525 947877003 /nfs/dbraw/zinc/87/70/03/947877003.db2.gz WYTHCPVHSKNHSQ-QMMMGPOBSA-N -1 1 385.881 1.900 20 0 GDADMM CC(=O)CCCC(=O)NC[C@H](C)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573381525 947877007 /nfs/dbraw/zinc/87/70/07/947877007.db2.gz WYTHCPVHSKNHSQ-QMMMGPOBSA-N -1 1 385.881 1.900 20 0 GDADMM Cc1ccn(-c2ccccc2CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)n1 ZINC000826308636 947884990 /nfs/dbraw/zinc/88/49/90/947884990.db2.gz ISUXYICMUHFKNO-UHFFFAOYSA-N -1 1 378.396 1.516 20 0 GDADMM Cc1ccn(-c2ccccc2CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)n1 ZINC000826308636 947884999 /nfs/dbraw/zinc/88/49/99/947884999.db2.gz ISUXYICMUHFKNO-UHFFFAOYSA-N -1 1 378.396 1.516 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1)n1cccc1 ZINC001573647286 947888943 /nfs/dbraw/zinc/88/89/43/947888943.db2.gz HAGHOTRSCBLGDL-HZSPNIEDSA-N -1 1 381.444 1.226 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1)n1cccc1 ZINC001573647286 947888949 /nfs/dbraw/zinc/88/89/49/947888949.db2.gz HAGHOTRSCBLGDL-HZSPNIEDSA-N -1 1 381.444 1.226 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](C)[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1)C(C)(F)F ZINC001573648279 947906922 /nfs/dbraw/zinc/90/69/22/947906922.db2.gz YGDWBCIFYQMHRH-GRYCIOLGSA-N -1 1 394.430 1.266 20 0 GDADMM C[C@@H](C(=O)N=[S@](C)(=O)c1cccc(Cl)c1)n1cnc(-c2nn[n-]n2)n1 ZINC001573651030 947917166 /nfs/dbraw/zinc/91/71/66/947917166.db2.gz IMABSOAQNXWYFV-HUVZLPTESA-N -1 1 380.821 1.356 20 0 GDADMM C[C@@H](C(=O)N[C@@](C)(CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)C(C)(F)F ZINC001573652106 947929054 /nfs/dbraw/zinc/92/90/54/947929054.db2.gz AWHRSWBGOWUQTD-VFZGTOFNSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@@H](C(=O)N[C@@](C)(CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)C(C)(F)F ZINC001573652106 947929059 /nfs/dbraw/zinc/92/90/59/947929059.db2.gz AWHRSWBGOWUQTD-VFZGTOFNSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@H](C(=O)N[C@](C)(CNc1cncc(-c2nnn[n-]2)n1)C1CC1)C(F)(F)F ZINC001573652703 947947236 /nfs/dbraw/zinc/94/72/36/947947236.db2.gz GREBZVONKAETQC-XLKFXECMSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](C(=O)N[C@](C)(CNc1cncc(-c2nn[n-]n2)n1)C1CC1)C(F)(F)F ZINC001573652703 947947244 /nfs/dbraw/zinc/94/72/44/947947244.db2.gz GREBZVONKAETQC-XLKFXECMSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)c1cccnc1 ZINC001573654266 947962885 /nfs/dbraw/zinc/96/28/85/947962885.db2.gz QITOUMJISVXIPP-BXUZGUMPSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)c1cccnc1 ZINC001573654266 947962888 /nfs/dbraw/zinc/96/28/88/947962888.db2.gz QITOUMJISVXIPP-BXUZGUMPSA-N -1 1 379.428 1.162 20 0 GDADMM Cc1onc(CC(=O)N2C[C@H](C)C(=O)N(C)c3ccccc32)c1-c1nnn[n-]1 ZINC000826343538 947992566 /nfs/dbraw/zinc/99/25/66/947992566.db2.gz FHWXJTCXKSHPHI-JTQLQIEISA-N -1 1 381.396 1.351 20 0 GDADMM Cc1onc(CC(=O)N2C[C@H](C)C(=O)N(C)c3ccccc32)c1-c1nn[n-]n1 ZINC000826343538 947992570 /nfs/dbraw/zinc/99/25/70/947992570.db2.gz FHWXJTCXKSHPHI-JTQLQIEISA-N -1 1 381.396 1.351 20 0 GDADMM Cc1onc(CC(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)c1-c1nnn[n-]1 ZINC000826343798 947995141 /nfs/dbraw/zinc/99/51/41/947995141.db2.gz NPKQALAABAXRRY-UHFFFAOYSA-N -1 1 391.432 1.221 20 0 GDADMM Cc1onc(CC(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)c1-c1nn[n-]n1 ZINC000826343798 947995146 /nfs/dbraw/zinc/99/51/46/947995146.db2.gz NPKQALAABAXRRY-UHFFFAOYSA-N -1 1 391.432 1.221 20 0 GDADMM Cc1onc(CC(=O)N(CCc2ccccc2)[C@@H]2CCOC2)c1-c1nnn[n-]1 ZINC000826343809 947997973 /nfs/dbraw/zinc/99/79/73/947997973.db2.gz NTVRGQXHRAZMPR-OAHLLOKOSA-N -1 1 382.424 1.566 20 0 GDADMM Cc1onc(CC(=O)N(CCc2ccccc2)[C@@H]2CCOC2)c1-c1nn[n-]n1 ZINC000826343809 947997975 /nfs/dbraw/zinc/99/79/75/947997975.db2.gz NTVRGQXHRAZMPR-OAHLLOKOSA-N -1 1 382.424 1.566 20 0 GDADMM Cc1onc(CC(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)c1-c1nnn[n-]1 ZINC000826344306 948003656 /nfs/dbraw/zinc/00/36/56/948003656.db2.gz DATSKOKFNWIKNK-AWEZNQCLSA-N -1 1 390.350 1.584 20 0 GDADMM Cc1onc(CC(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)c1-c1nn[n-]n1 ZINC000826344306 948003664 /nfs/dbraw/zinc/00/36/64/948003664.db2.gz DATSKOKFNWIKNK-AWEZNQCLSA-N -1 1 390.350 1.584 20 0 GDADMM C[C@H](C(=O)N[C@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1cccs1 ZINC001573658601 948008942 /nfs/dbraw/zinc/00/89/42/948008942.db2.gz SOKUFYKARFXBQC-APPDUMDISA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)N[C@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1cccs1 ZINC001573658601 948008946 /nfs/dbraw/zinc/00/89/46/948008946.db2.gz SOKUFYKARFXBQC-APPDUMDISA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NC1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C(C)(F)F ZINC001573659440 948013049 /nfs/dbraw/zinc/01/30/49/948013049.db2.gz VWLJOMBVVMFKND-SNVBAGLBSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H](C(=O)NC1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C(C)(F)F ZINC001573659440 948013055 /nfs/dbraw/zinc/01/30/55/948013055.db2.gz VWLJOMBVVMFKND-SNVBAGLBSA-N -1 1 380.403 1.423 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)c1-c1nnn[n-]1 ZINC000826344809 948013549 /nfs/dbraw/zinc/01/35/49/948013549.db2.gz SOCMVIRFCLFBIO-CQSZACIVSA-N -1 1 396.407 1.841 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)c1-c1nn[n-]n1 ZINC000826344809 948013555 /nfs/dbraw/zinc/01/35/55/948013555.db2.gz SOCMVIRFCLFBIO-CQSZACIVSA-N -1 1 396.407 1.841 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@@H](c3noc(C(C)C)n3)C2)c1-c1nnn[n-]1 ZINC000826344935 948016368 /nfs/dbraw/zinc/01/63/68/948016368.db2.gz XACLVWYDLNZVDM-LLVKDONJSA-N -1 1 386.416 1.618 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@@H](c3noc(C(C)C)n3)C2)c1-c1nn[n-]n1 ZINC000826344935 948016373 /nfs/dbraw/zinc/01/63/73/948016373.db2.gz XACLVWYDLNZVDM-LLVKDONJSA-N -1 1 386.416 1.618 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)c1-c1nnn[n-]1 ZINC000826344900 948016428 /nfs/dbraw/zinc/01/64/28/948016428.db2.gz WDDLKPIJIHDDJO-GFCCVEGCSA-N -1 1 393.411 1.155 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)c1-c1nn[n-]n1 ZINC000826344900 948016435 /nfs/dbraw/zinc/01/64/35/948016435.db2.gz WDDLKPIJIHDDJO-GFCCVEGCSA-N -1 1 393.411 1.155 20 0 GDADMM Cc1onc(CC(=O)N2CCN(CC3CC3)c3ccccc32)c1-c1nnn[n-]1 ZINC000826344964 948017357 /nfs/dbraw/zinc/01/73/57/948017357.db2.gz YDIUBFMMFIUNFI-UHFFFAOYSA-N -1 1 379.424 1.969 20 0 GDADMM Cc1onc(CC(=O)N2CCN(CC3CC3)c3ccccc32)c1-c1nn[n-]n1 ZINC000826344964 948017364 /nfs/dbraw/zinc/01/73/64/948017364.db2.gz YDIUBFMMFIUNFI-UHFFFAOYSA-N -1 1 379.424 1.969 20 0 GDADMM Cc1onc(CC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2)c1-c1nnn[n-]1 ZINC000826345962 948033101 /nfs/dbraw/zinc/03/31/01/948033101.db2.gz ZAEUGVLVZVIOFA-CQSZACIVSA-N -1 1 398.423 1.905 20 0 GDADMM Cc1onc(CC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2)c1-c1nn[n-]n1 ZINC000826345962 948033108 /nfs/dbraw/zinc/03/31/08/948033108.db2.gz ZAEUGVLVZVIOFA-CQSZACIVSA-N -1 1 398.423 1.905 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2)C(C)(F)F ZINC001573664070 948045332 /nfs/dbraw/zinc/04/53/32/948045332.db2.gz RTQZCPWKTYUVKJ-QWRGUYRKSA-N -1 1 392.414 1.423 20 0 GDADMM Cc1onc(CC(=O)NCCCc2nc3ccccc3n2C)c1-c1nnn[n-]1 ZINC000826347345 948054507 /nfs/dbraw/zinc/05/45/07/948054507.db2.gz NZQWMBYOYQDFAL-UHFFFAOYSA-N -1 1 380.412 1.341 20 0 GDADMM Cc1onc(CC(=O)NCCCc2nc3ccccc3n2C)c1-c1nn[n-]n1 ZINC000826347345 948054517 /nfs/dbraw/zinc/05/45/17/948054517.db2.gz NZQWMBYOYQDFAL-UHFFFAOYSA-N -1 1 380.412 1.341 20 0 GDADMM Cc1onc(CC(=O)NCCCC(=O)N2CCc3ccccc32)c1-c1nnn[n-]1 ZINC000826347544 948055254 /nfs/dbraw/zinc/05/52/54/948055254.db2.gz UWTFULLGDQFRLE-UHFFFAOYSA-N -1 1 395.423 1.191 20 0 GDADMM Cc1onc(CC(=O)NCCCC(=O)N2CCc3ccccc32)c1-c1nn[n-]n1 ZINC000826347544 948055261 /nfs/dbraw/zinc/05/52/61/948055261.db2.gz UWTFULLGDQFRLE-UHFFFAOYSA-N -1 1 395.423 1.191 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1)C(C)(F)F ZINC001573664534 948056136 /nfs/dbraw/zinc/05/61/36/948056136.db2.gz FNFPFPIASQKVEK-MNOVXSKESA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1)C(C)(F)F ZINC001573664534 948056146 /nfs/dbraw/zinc/05/61/46/948056146.db2.gz FNFPFPIASQKVEK-MNOVXSKESA-N -1 1 380.403 1.423 20 0 GDADMM Cc1onc(CC(=O)NCCc2nnc(-c3ccccc3)o2)c1-c1nnn[n-]1 ZINC000826347823 948060092 /nfs/dbraw/zinc/06/00/92/948060092.db2.gz HSYDSABVZHEHTG-UHFFFAOYSA-N -1 1 380.368 1.115 20 0 GDADMM Cc1onc(CC(=O)NCCc2nnc(-c3ccccc3)o2)c1-c1nn[n-]n1 ZINC000826347823 948060101 /nfs/dbraw/zinc/06/01/01/948060101.db2.gz HSYDSABVZHEHTG-UHFFFAOYSA-N -1 1 380.368 1.115 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1)n1cccc1 ZINC001573677245 948132388 /nfs/dbraw/zinc/13/23/88/948132388.db2.gz WYEWPUHXUNSKCI-NXEZZACHSA-N -1 1 392.876 1.734 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1)n1cccc1 ZINC001573677245 948132393 /nfs/dbraw/zinc/13/23/93/948132393.db2.gz WYEWPUHXUNSKCI-NXEZZACHSA-N -1 1 392.876 1.734 20 0 GDADMM CC(C)[C@@H](CNC(=O)[C@H](C)c1cccnc1)Nc1nccnc1-c1nnn[n-]1 ZINC001573680821 948188163 /nfs/dbraw/zinc/18/81/63/948188163.db2.gz QHFIMHONHFRKDT-TZMCWYRMSA-N -1 1 381.444 1.408 20 0 GDADMM CC(C)[C@@H](CNC(=O)[C@H](C)c1cccnc1)Nc1nccnc1-c1nn[n-]n1 ZINC001573680821 948188168 /nfs/dbraw/zinc/18/81/68/948188168.db2.gz QHFIMHONHFRKDT-TZMCWYRMSA-N -1 1 381.444 1.408 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1COC2(CN(Cc3ccc(-c4nn[n-]n4)s3)C2)C1)C1CC1 ZINC001573681663 948209688 /nfs/dbraw/zinc/20/96/88/948209688.db2.gz YQGKKILKCYEQCT-YPMHNXCESA-N -1 1 388.497 1.434 20 0 GDADMM C[C@@H](C(=O)NC[C@@]1(C)CCCN(c2cncc(-c3nnn[n-]3)n2)C1)C1CCC1 ZINC001573689962 948221114 /nfs/dbraw/zinc/22/11/14/948221114.db2.gz BEVWVXBFBWDFIB-BFUOFWGJSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NC[C@@]1(C)CCCN(c2cncc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573689962 948221119 /nfs/dbraw/zinc/22/11/19/948221119.db2.gz BEVWVXBFBWDFIB-BFUOFWGJSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCC1)c1ccsc1 ZINC001573691731 948245233 /nfs/dbraw/zinc/24/52/33/948245233.db2.gz ILOLWWXXISFSHF-NSHDSACASA-N -1 1 384.469 1.973 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCC1)c1ccsc1 ZINC001573691731 948245242 /nfs/dbraw/zinc/24/52/42/948245242.db2.gz ILOLWWXXISFSHF-NSHDSACASA-N -1 1 384.469 1.973 20 0 GDADMM CC(=O)N1CC[C@H](OC(=O)[C@H](C)n2cnc(-c3nn[n-]n3)n2)c2ccccc21 ZINC001573439651 948248604 /nfs/dbraw/zinc/24/86/04/948248604.db2.gz NXOFWJOOMLAFEU-HZMBPMFUSA-N -1 1 382.384 1.060 20 0 GDADMM C[C@@H](C(=O)NCC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C1CCC1 ZINC001573692689 948272343 /nfs/dbraw/zinc/27/23/43/948272343.db2.gz QKXSQVMCEGMPPF-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NCC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C1CCC1 ZINC001573692689 948272352 /nfs/dbraw/zinc/27/23/52/948272352.db2.gz QKXSQVMCEGMPPF-CYBMUJFWSA-N -1 1 384.488 1.816 20 0 GDADMM CC(=O)N1CCC[C@H](n2cc(CNc3snc(C)c3-c3nn[n-]n3)nn2)C1 ZINC001573442124 948286450 /nfs/dbraw/zinc/28/64/50/948286450.db2.gz SMZJYWUKFPRKEF-LBPRGKRZSA-N -1 1 388.461 1.019 20 0 GDADMM O=C(NCCNc1ncccc1-c1nn[nH]n1)c1ccc(C(F)(F)F)cc1[O-] ZINC000826437782 948292812 /nfs/dbraw/zinc/29/28/12/948292812.db2.gz AZAKAEWXMKMOMH-UHFFFAOYSA-N -1 1 393.329 1.828 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCCC1)C(F)(F)F ZINC001573696494 948325892 /nfs/dbraw/zinc/32/58/92/948325892.db2.gz RGMWDCGCBXULMP-SECBINFHSA-N -1 1 384.366 1.696 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCCC1)C(F)(F)F ZINC001573696494 948325901 /nfs/dbraw/zinc/32/59/01/948325901.db2.gz RGMWDCGCBXULMP-SECBINFHSA-N -1 1 384.366 1.696 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)c1cccs1 ZINC001573704082 948364269 /nfs/dbraw/zinc/36/42/69/948364269.db2.gz OTXDLCSUGQIELY-RYUDHWBXSA-N -1 1 384.469 1.607 20 0 GDADMM O=C(c1cccc(NCc2ccnc(-c3nnn[n-]3)c2)c1)N1CCC(O)CC1 ZINC000826474127 948373564 /nfs/dbraw/zinc/37/35/64/948373564.db2.gz BEHSZZAHSOITKE-UHFFFAOYSA-N -1 1 379.424 1.471 20 0 GDADMM O=C(c1cccc(NCc2ccnc(-c3nn[n-]n3)c2)c1)N1CCC(O)CC1 ZINC000826474127 948373571 /nfs/dbraw/zinc/37/35/71/948373571.db2.gz BEHSZZAHSOITKE-UHFFFAOYSA-N -1 1 379.424 1.471 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)C1CCCC1 ZINC001573704662 948380028 /nfs/dbraw/zinc/38/00/28/948380028.db2.gz UMGLNVPYQWBYHG-UONOGXRCSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)C1CCCC1 ZINC001573704662 948380038 /nfs/dbraw/zinc/38/00/38/948380038.db2.gz UMGLNVPYQWBYHG-UONOGXRCSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CCCO1)C(C)(C)C ZINC001573704788 948382589 /nfs/dbraw/zinc/38/25/89/948382589.db2.gz AMDKBMRBUKHUBH-QWHCGFSZSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CCCO1)C(C)(C)C ZINC001573704788 948382594 /nfs/dbraw/zinc/38/25/94/948382594.db2.gz AMDKBMRBUKHUBH-QWHCGFSZSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@H](C(=O)NCC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001573715014 948480122 /nfs/dbraw/zinc/48/01/22/948480122.db2.gz MSSYKAFJIGJJSW-ZJUUUORDSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@H](C(=O)NCC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573715014 948480130 /nfs/dbraw/zinc/48/01/30/948480130.db2.gz MSSYKAFJIGJJSW-ZJUUUORDSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@H](C(=O)NCC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(F)(F)F ZINC001573715552 948493539 /nfs/dbraw/zinc/49/35/39/948493539.db2.gz ZASSOPKOBDYAEB-NXEZZACHSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@H](C(=O)NCC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(F)(F)F ZINC001573715552 948493544 /nfs/dbraw/zinc/49/35/44/948493544.db2.gz ZASSOPKOBDYAEB-NXEZZACHSA-N -1 1 384.366 1.188 20 0 GDADMM C[C@@H](CCNC(=O)[C@@H](C)c1cccc(F)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001573716241 948497698 /nfs/dbraw/zinc/49/76/98/948497698.db2.gz DKGOZEQGNZMBKU-RYUDHWBXSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@@H](CCNC(=O)[C@@H](C)c1cccc(F)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001573716241 948497706 /nfs/dbraw/zinc/49/77/06/948497706.db2.gz DKGOZEQGNZMBKU-RYUDHWBXSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1nc(-c2nn[n-]n2)c(Cl)s1)C(F)(F)F ZINC001573716970 948502881 /nfs/dbraw/zinc/50/28/81/948502881.db2.gz AACCMRQUBHXAMB-RXMQYKEDSA-N -1 1 383.787 1.727 20 0 GDADMM C[C@@H](C(=O)NCC[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C)C1CCC1 ZINC001573717866 948512335 /nfs/dbraw/zinc/51/23/35/948512335.db2.gz NXKSMCOTHFKSOG-UMVBOHGHSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C(C)(F)F ZINC001573725558 948543479 /nfs/dbraw/zinc/54/34/79/948543479.db2.gz AWQRFEFHNBXLCG-OUAUKWLOSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C(C)(F)F ZINC001573725558 948543487 /nfs/dbraw/zinc/54/34/87/948543487.db2.gz AWQRFEFHNBXLCG-OUAUKWLOSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001573727999 948557716 /nfs/dbraw/zinc/55/77/16/948557716.db2.gz OFNUSANGJSQKED-LPEHRKFASA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573727999 948557724 /nfs/dbraw/zinc/55/77/24/948557724.db2.gz OFNUSANGJSQKED-LPEHRKFASA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C)c1ccco1 ZINC001573729567 948570282 /nfs/dbraw/zinc/57/02/82/948570282.db2.gz UULCLYDHMALMJK-JHJVBQTASA-N -1 1 382.428 1.242 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C)c1ccco1 ZINC001573729567 948570299 /nfs/dbraw/zinc/57/02/99/948570299.db2.gz UULCLYDHMALMJK-JHJVBQTASA-N -1 1 382.428 1.242 20 0 GDADMM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccsc1 ZINC001573730095 948575276 /nfs/dbraw/zinc/57/52/76/948575276.db2.gz MSCTXZLQCVHWJK-GVXVVHGQSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccsc1 ZINC001573730095 948575278 /nfs/dbraw/zinc/57/52/78/948575278.db2.gz MSCTXZLQCVHWJK-GVXVVHGQSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cccnc1 ZINC001573730520 948580677 /nfs/dbraw/zinc/58/06/77/948580677.db2.gz QITGWPXLEXADMG-OBJOEFQTSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cccnc1 ZINC001573730520 948580683 /nfs/dbraw/zinc/58/06/83/948580683.db2.gz QITGWPXLEXADMG-OBJOEFQTSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H](C)c1c(F)cccc1F ZINC001573741501 948653858 /nfs/dbraw/zinc/65/38/58/948653858.db2.gz BNWOUHKXLBWIJU-NXEZZACHSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H](C)c1c(F)cccc1F ZINC001573741501 948653862 /nfs/dbraw/zinc/65/38/62/948653862.db2.gz BNWOUHKXLBWIJU-NXEZZACHSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CC1)C(C)(F)F ZINC001573745965 948675204 /nfs/dbraw/zinc/67/52/04/948675204.db2.gz ICJPIKUFQHSUBU-GMTAPVOTSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CC1)C(C)(F)F ZINC001573745965 948675212 /nfs/dbraw/zinc/67/52/12/948675212.db2.gz ICJPIKUFQHSUBU-GMTAPVOTSA-N -1 1 380.403 1.787 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@@H](C)[C@@H](C)Nc2nccnc2-c2nnn[n-]2)cn1 ZINC001574416356 948747785 /nfs/dbraw/zinc/74/77/85/948747785.db2.gz RWGOYGOZPOYTQJ-NEPJUHHUSA-N -1 1 381.444 1.794 20 0 GDADMM CC(C)c1ccc(C(=O)N[C@@H](C)[C@@H](C)Nc2nccnc2-c2nn[n-]n2)cn1 ZINC001574416356 948747796 /nfs/dbraw/zinc/74/77/96/948747796.db2.gz RWGOYGOZPOYTQJ-NEPJUHHUSA-N -1 1 381.444 1.794 20 0 GDADMM C[C@H](CNC(=O)CCc1cc(Cl)cs1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574914456 948747752 /nfs/dbraw/zinc/74/77/52/948747752.db2.gz KBFDKWVLUOUPBU-SECBINFHSA-N -1 1 392.876 1.343 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCCCC1(F)F ZINC001574678364 948748590 /nfs/dbraw/zinc/74/85/90/948748590.db2.gz DRFFSFWHRLEBGR-GHMZBOCLSA-N -1 1 380.403 1.789 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCCCC1(F)F ZINC001574678364 948748593 /nfs/dbraw/zinc/74/85/93/948748593.db2.gz DRFFSFWHRLEBGR-GHMZBOCLSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)C1(C(=O)N2CCC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575221713 948751835 /nfs/dbraw/zinc/75/18/35/948751835.db2.gz BVKFHHLLEBCMAO-LLVKDONJSA-N -1 1 392.414 1.165 20 0 GDADMM CC(F)(F)C1(C(=O)NC2CC(CNc3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001575221789 948751950 /nfs/dbraw/zinc/75/19/50/948751950.db2.gz CNSZKQSQBXSJKC-UHFFFAOYSA-N -1 1 378.387 1.399 20 0 GDADMM CC(F)(F)C1(C(=O)NC2CC(CNc3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001575221789 948751960 /nfs/dbraw/zinc/75/19/60/948751960.db2.gz CNSZKQSQBXSJKC-UHFFFAOYSA-N -1 1 378.387 1.399 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@@H]2CCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575222152 948754563 /nfs/dbraw/zinc/75/45/63/948754563.db2.gz FPDMJLLNSLLRST-GHMZBOCLSA-N -1 1 392.414 1.211 20 0 GDADMM C[C@@H](CNC(=O)CCc1ccc(F)cc1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574914677 948755998 /nfs/dbraw/zinc/75/59/98/948755998.db2.gz MMOOUDPZTDFJQE-LBPRGKRZSA-N -1 1 384.419 1.370 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001574678755 948756529 /nfs/dbraw/zinc/75/65/29/948756529.db2.gz ISEHGIBZXMOEOE-WCFLWFBJSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001574678755 948756539 /nfs/dbraw/zinc/75/65/39/948756539.db2.gz ISEHGIBZXMOEOE-WCFLWFBJSA-N -1 1 384.469 1.829 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H](CNc2nccnc2-c2nnn[n-]2)C2CC2)CC1 ZINC001575222746 948756723 /nfs/dbraw/zinc/75/67/23/948756723.db2.gz IPDVLGNMGVJWMA-SNVBAGLBSA-N -1 1 378.387 1.399 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H](CNc2nccnc2-c2nn[n-]n2)C2CC2)CC1 ZINC001575222746 948756735 /nfs/dbraw/zinc/75/67/35/948756735.db2.gz IPDVLGNMGVJWMA-SNVBAGLBSA-N -1 1 378.387 1.399 20 0 GDADMM CC(C)c1cccc(C(=O)NCC2(Nc3ccnc(-c4nn[n-]n4)n3)CC2)c1 ZINC001574416821 948762058 /nfs/dbraw/zinc/76/20/58/948762058.db2.gz JCUKGIQSTUWCLH-UHFFFAOYSA-N -1 1 378.440 1.577 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@H]2CCCN2c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001575223284 948761981 /nfs/dbraw/zinc/76/19/81/948761981.db2.gz MQAVANJCJJULLO-SNVBAGLBSA-N -1 1 378.387 1.177 20 0 GDADMM CC(F)(F)C1(C(=O)NC[C@H]2CCCN2c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001575223284 948761990 /nfs/dbraw/zinc/76/19/90/948761990.db2.gz MQAVANJCJJULLO-SNVBAGLBSA-N -1 1 378.387 1.177 20 0 GDADMM CC(F)(F)C1(C(=O)NCC2=CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CC1 ZINC001575223311 948763754 /nfs/dbraw/zinc/76/37/54/948763754.db2.gz NNXFRWPBPQGBBR-UHFFFAOYSA-N -1 1 390.398 1.345 20 0 GDADMM CC(F)(F)C1(C(=O)NCC2=CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CC1 ZINC001575223311 948763762 /nfs/dbraw/zinc/76/37/62/948763762.db2.gz NNXFRWPBPQGBBR-UHFFFAOYSA-N -1 1 390.398 1.345 20 0 GDADMM C[C@@H](C(=O)Nc1cc(Cl)ccc1OC(F)F)n1cnc(-c2nn[n-]n2)n1 ZINC001573755360 948764437 /nfs/dbraw/zinc/76/44/37/948764437.db2.gz CHNVRQLXWXCEOR-LURJTMIESA-N -1 1 384.734 1.913 20 0 GDADMM CC(F)(F)CC(=O)NC1(C2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)CC1 ZINC001575223473 948768691 /nfs/dbraw/zinc/76/86/91/948768691.db2.gz BVUCXDALBMXQKN-UHFFFAOYSA-N -1 1 392.414 1.567 20 0 GDADMM CC(F)(F)CC(=O)NC1(C2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)CC1 ZINC001575223473 948768702 /nfs/dbraw/zinc/76/87/02/948768702.db2.gz BVUCXDALBMXQKN-UHFFFAOYSA-N -1 1 392.414 1.567 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@@H](C)[C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)n1 ZINC001574418218 948777159 /nfs/dbraw/zinc/77/71/59/948777159.db2.gz VRKXBDHRHGATIO-NEPJUHHUSA-N -1 1 381.444 1.216 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CCC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001575223981 948778776 /nfs/dbraw/zinc/77/87/76/948778776.db2.gz RTDXVOVYLBPJJL-QWRGUYRKSA-N -1 1 392.414 1.931 20 0 GDADMM CC(F)(F)C1(C(=O)N[C@H]2CCC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575223981 948778790 /nfs/dbraw/zinc/77/87/90/948778790.db2.gz RTDXVOVYLBPJJL-QWRGUYRKSA-N -1 1 392.414 1.931 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ccnc(C2CC2)c1 ZINC001574679521 948784228 /nfs/dbraw/zinc/78/42/28/948784228.db2.gz XBOJUKHVLQGXEM-NSHDSACASA-N -1 1 379.428 1.550 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccnc(C2CC2)c1 ZINC001574679521 948784240 /nfs/dbraw/zinc/78/42/40/948784240.db2.gz XBOJUKHVLQGXEM-NSHDSACASA-N -1 1 379.428 1.550 20 0 GDADMM CC(C)[C@H](F)C(=O)NCc1ccc(CNc2ccnc(-c3nn[n-]n3)n2)cc1 ZINC001574080190 948786802 /nfs/dbraw/zinc/78/68/02/948786802.db2.gz JNKTWCNWYOSCSC-HNNXBMFYSA-N -1 1 384.419 1.301 20 0 GDADMM CC(F)(F)CC(=O)N1CCC2(C1)CCN(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001575225397 948801643 /nfs/dbraw/zinc/80/16/43/948801643.db2.gz ADNHVTCYERRWBD-UHFFFAOYSA-N -1 1 392.414 1.521 20 0 GDADMM CC(F)(F)CC(=O)N1CCC2(C1)CCN(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001575225397 948801665 /nfs/dbraw/zinc/80/16/65/948801665.db2.gz ADNHVTCYERRWBD-UHFFFAOYSA-N -1 1 392.414 1.521 20 0 GDADMM CC(C)c1ccoc1C(=O)N1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)[C@@H](C)C1 ZINC001574421048 948810121 /nfs/dbraw/zinc/81/01/21/948810121.db2.gz FBILXJQKUWINIX-FZMZJTMJSA-N -1 1 382.428 1.946 20 0 GDADMM CC(C)c1ccoc1C(=O)N1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)[C@@H](C)C1 ZINC001574421048 948810137 /nfs/dbraw/zinc/81/01/37/948810137.db2.gz FBILXJQKUWINIX-FZMZJTMJSA-N -1 1 382.428 1.946 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1csc(Cl)c1 ZINC001574681312 948811862 /nfs/dbraw/zinc/81/18/62/948811862.db2.gz LHBTYVCZQFJYNQ-MRVPVSSYSA-N -1 1 378.849 1.992 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1csc(Cl)c1 ZINC001574681312 948811882 /nfs/dbraw/zinc/81/18/82/948811882.db2.gz LHBTYVCZQFJYNQ-MRVPVSSYSA-N -1 1 378.849 1.992 20 0 GDADMM CC(C)c1ccoc1C(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574421368 948815555 /nfs/dbraw/zinc/81/55/55/948815555.db2.gz JLBRCZZNYBBCGH-LBPRGKRZSA-N -1 1 382.428 1.512 20 0 GDADMM C[C@H](C(=O)N[C@]12CCC[C@H]1CN(c1cncc(-c3nnn[n-]3)n1)C2)C(C)(F)F ZINC001573756509 948820446 /nfs/dbraw/zinc/82/04/46/948820446.db2.gz SRHAYDCZMUBXPC-RLFDGXBXSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@H](C(=O)N[C@]12CCC[C@H]1CN(c1cncc(-c3nn[n-]n3)n1)C2)C(C)(F)F ZINC001573756509 948820467 /nfs/dbraw/zinc/82/04/67/948820467.db2.gz SRHAYDCZMUBXPC-RLFDGXBXSA-N -1 1 392.414 1.423 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575226923 948822651 /nfs/dbraw/zinc/82/26/51/948822651.db2.gz PEAFNVDPYFQCSY-LLVKDONJSA-N -1 1 380.403 1.743 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575226923 948822676 /nfs/dbraw/zinc/82/26/76/948822676.db2.gz PEAFNVDPYFQCSY-LLVKDONJSA-N -1 1 380.403 1.743 20 0 GDADMM C[C@H](CNC(=O)CCCc1ccsc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574918222 948841909 /nfs/dbraw/zinc/84/19/09/948841909.db2.gz HPGYEUUTRDZUTH-GFCCVEGCSA-N -1 1 386.485 1.682 20 0 GDADMM C[C@H](CNC(=O)CCCc1ccsc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574918222 948841927 /nfs/dbraw/zinc/84/19/27/948841927.db2.gz HPGYEUUTRDZUTH-GFCCVEGCSA-N -1 1 386.485 1.682 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)Cc1cccc(Cl)c1 ZINC001574683114 948843887 /nfs/dbraw/zinc/84/38/87/948843887.db2.gz URTHLFVOQFVEBP-LLVKDONJSA-N -1 1 386.847 1.860 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)Cc1cccc(Cl)c1 ZINC001574683114 948843907 /nfs/dbraw/zinc/84/39/07/948843907.db2.gz URTHLFVOQFVEBP-LLVKDONJSA-N -1 1 386.847 1.860 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1)C(F)F ZINC001573761752 948848769 /nfs/dbraw/zinc/84/87/69/948848769.db2.gz LZGQMGNNNWMNHQ-SNVBAGLBSA-N -1 1 380.403 1.599 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H](CCNc2cncc(-c3nn[n-]n3)n2)C1)C(F)F ZINC001573761752 948848784 /nfs/dbraw/zinc/84/87/84/948848784.db2.gz LZGQMGNNNWMNHQ-SNVBAGLBSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H](CNC(=O)CCCc1ccccc1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574918508 948851093 /nfs/dbraw/zinc/85/10/93/948851093.db2.gz LUDVXJJWYCKVBA-CQSZACIVSA-N -1 1 380.456 1.621 20 0 GDADMM C[C@H](CNC(=O)CCCc1ccccc1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574918508 948851109 /nfs/dbraw/zinc/85/11/09/948851109.db2.gz LUDVXJJWYCKVBA-CQSZACIVSA-N -1 1 380.456 1.621 20 0 GDADMM CC(F)(F)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001575229774 948859200 /nfs/dbraw/zinc/85/92/00/948859200.db2.gz SYCXRLFSVJEECB-ZSBIGDGJSA-N -1 1 392.414 1.566 20 0 GDADMM CC(F)(F)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001575229774 948859219 /nfs/dbraw/zinc/85/92/19/948859219.db2.gz SYCXRLFSVJEECB-ZSBIGDGJSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H](CNC(=O)CCCc1ccccn1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574919006 948864440 /nfs/dbraw/zinc/86/44/40/948864440.db2.gz UCLRXNILPKOEDM-ZDUSSCGKSA-N -1 1 381.444 1.239 20 0 GDADMM C[C@H](CNC(=O)CCCc1ccccn1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574919006 948864457 /nfs/dbraw/zinc/86/44/57/948864457.db2.gz UCLRXNILPKOEDM-ZDUSSCGKSA-N -1 1 381.444 1.239 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)C1CCOCC1 ZINC001573763410 948866592 /nfs/dbraw/zinc/86/65/92/948866592.db2.gz DSAGWVDKQPWNKW-ZDUSSCGKSA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)C1CCOCC1 ZINC001573763410 948866617 /nfs/dbraw/zinc/86/66/17/948866617.db2.gz DSAGWVDKQPWNKW-ZDUSSCGKSA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccccc1 ZINC001573763425 948866848 /nfs/dbraw/zinc/86/68/48/948866848.db2.gz FASRMYACJSKUOR-CQSZACIVSA-N -1 1 378.440 1.647 20 0 GDADMM CC(C)(C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccccc1 ZINC001573763425 948866861 /nfs/dbraw/zinc/86/68/61/948866861.db2.gz FASRMYACJSKUOR-CQSZACIVSA-N -1 1 378.440 1.647 20 0 GDADMM CC(C)(C(=O)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1)C(F)F ZINC001573764626 948889144 /nfs/dbraw/zinc/88/91/44/948889144.db2.gz PFNLVNGHWPZRFM-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)(C(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1)C(F)F ZINC001573764626 948889163 /nfs/dbraw/zinc/88/91/63/948889163.db2.gz PFNLVNGHWPZRFM-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001575234428 948901564 /nfs/dbraw/zinc/90/15/64/948901564.db2.gz CMVJMKBRZPEBLF-KRWDZBQOSA-N -1 1 392.414 1.521 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001575234428 948901576 /nfs/dbraw/zinc/90/15/76/948901576.db2.gz CMVJMKBRZPEBLF-KRWDZBQOSA-N -1 1 392.414 1.521 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)c1cccn1C ZINC001574685250 948903740 /nfs/dbraw/zinc/90/37/40/948903740.db2.gz UGORIBNDXDZNIS-MRVPVSSYSA-N -1 1 380.865 1.936 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)c1cccn1C ZINC001574685250 948903752 /nfs/dbraw/zinc/90/37/52/948903752.db2.gz UGORIBNDXDZNIS-MRVPVSSYSA-N -1 1 380.865 1.936 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)c1cccn1C ZINC001574685251 948903852 /nfs/dbraw/zinc/90/38/52/948903852.db2.gz UGORIBNDXDZNIS-QMMMGPOBSA-N -1 1 380.865 1.936 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)c1cccn1C ZINC001574685251 948903862 /nfs/dbraw/zinc/90/38/62/948903862.db2.gz UGORIBNDXDZNIS-QMMMGPOBSA-N -1 1 380.865 1.936 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001575234742 948905613 /nfs/dbraw/zinc/90/56/13/948905613.db2.gz DBLFUSVJXWDMFQ-NEPJUHHUSA-N -1 1 392.414 1.662 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001575234742 948905629 /nfs/dbraw/zinc/90/56/29/948905629.db2.gz DBLFUSVJXWDMFQ-NEPJUHHUSA-N -1 1 392.414 1.662 20 0 GDADMM CC(C)c1ncc(C(=O)N(C)[C@H](C)CNc2cnc(-c3nnn[n-]3)cn2)s1 ZINC001574427572 948905944 /nfs/dbraw/zinc/90/59/44/948905944.db2.gz HLMFCRDIRGIMMU-SNVBAGLBSA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)c1ncc(C(=O)N(C)[C@H](C)CNc2cnc(-c3nn[n-]n3)cn2)s1 ZINC001574427572 948905959 /nfs/dbraw/zinc/90/59/59/948905959.db2.gz HLMFCRDIRGIMMU-SNVBAGLBSA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)(C(=O)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1)c1ccccc1 ZINC001573765464 948907866 /nfs/dbraw/zinc/90/78/66/948907866.db2.gz IDNJNFPNXHRQDE-UHFFFAOYSA-N -1 1 392.467 1.673 20 0 GDADMM CC(C)(C(=O)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1)c1ccccc1 ZINC001573765464 948907876 /nfs/dbraw/zinc/90/78/76/948907876.db2.gz IDNJNFPNXHRQDE-UHFFFAOYSA-N -1 1 392.467 1.673 20 0 GDADMM CC(C)[C@]1(C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001574088233 948914003 /nfs/dbraw/zinc/91/40/03/948914003.db2.gz DWSOJSJGNYDNMX-QJNYJZHLSA-N -1 1 382.472 1.519 20 0 GDADMM CC(C)[C@]1(C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001574088233 948914018 /nfs/dbraw/zinc/91/40/18/948914018.db2.gz DWSOJSJGNYDNMX-QJNYJZHLSA-N -1 1 382.472 1.519 20 0 GDADMM CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1)C1CCCC1 ZINC001573765786 948925047 /nfs/dbraw/zinc/92/50/47/948925047.db2.gz GYMKGLRKQSIKPM-KBPBESRZSA-N -1 1 382.472 1.663 20 0 GDADMM CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1)C1CCCC1 ZINC001573765786 948925060 /nfs/dbraw/zinc/92/50/60/948925060.db2.gz GYMKGLRKQSIKPM-KBPBESRZSA-N -1 1 382.472 1.663 20 0 GDADMM CC(F)(F)CCC(=O)N[C@](C)(CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001575235805 948930128 /nfs/dbraw/zinc/93/01/28/948930128.db2.gz QUKGGFBCXVFQDV-OAHLLOKOSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CCC(=O)N[C@](C)(CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001575235805 948930138 /nfs/dbraw/zinc/93/01/38/948930138.db2.gz QUKGGFBCXVFQDV-OAHLLOKOSA-N -1 1 380.403 1.789 20 0 GDADMM CC(C)[C@H]1C[C@@H](C(=O)N(C)CCN(C)c2nccnc2-c2nnn[n-]2)CCO1 ZINC001574088777 948934229 /nfs/dbraw/zinc/93/42/29/948934229.db2.gz CKWMIULWIMSFRD-UONOGXRCSA-N -1 1 388.476 1.003 20 0 GDADMM CC(C)[C@H]1C[C@@H](C(=O)N(C)CCN(C)c2nccnc2-c2nn[n-]n2)CCO1 ZINC001574088777 948934249 /nfs/dbraw/zinc/93/42/49/948934249.db2.gz CKWMIULWIMSFRD-UONOGXRCSA-N -1 1 388.476 1.003 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@]12CCC[C@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001575236098 948934587 /nfs/dbraw/zinc/93/45/87/948934587.db2.gz VSAWMXQWLVAPQM-PIGZYNQJSA-N -1 1 392.414 1.710 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@H]2[C@@H](CCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001575236072 948935304 /nfs/dbraw/zinc/93/53/04/948935304.db2.gz UXEQMQOLPZCKKI-RYUDHWBXSA-N -1 1 392.414 1.519 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@H]2[C@@H](CCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001575236072 948935312 /nfs/dbraw/zinc/93/53/12/948935312.db2.gz UXEQMQOLPZCKKI-RYUDHWBXSA-N -1 1 392.414 1.519 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001575236091 948936206 /nfs/dbraw/zinc/93/62/06/948936206.db2.gz VKZXTCXAZBFVDY-OLZOCXBDSA-N -1 1 392.414 1.662 20 0 GDADMM CC(F)(F)CCC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cncc(-c2nn[n-]n2)n1 ZINC001575236091 948936219 /nfs/dbraw/zinc/93/62/19/948936219.db2.gz VKZXTCXAZBFVDY-OLZOCXBDSA-N -1 1 392.414 1.662 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2 ZINC001575236881 948941594 /nfs/dbraw/zinc/94/15/94/948941594.db2.gz AVAIKGPKMMHBFV-VXGBXAGGSA-N -1 1 392.414 1.931 20 0 GDADMM CC(F)(F)CCC(=O)N[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2 ZINC001575236881 948941605 /nfs/dbraw/zinc/94/16/05/948941605.db2.gz AVAIKGPKMMHBFV-VXGBXAGGSA-N -1 1 392.414 1.931 20 0 GDADMM CC(C)(C(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C(F)F ZINC001573772239 948954335 /nfs/dbraw/zinc/95/43/35/948954335.db2.gz RPEICHBYKBFNJA-UWVGGRQHSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C(F)F ZINC001573772239 948954346 /nfs/dbraw/zinc/95/43/46/948954346.db2.gz RPEICHBYKBFNJA-UWVGGRQHSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C(=O)N[C@H]1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C(F)F ZINC001573772241 948955474 /nfs/dbraw/zinc/95/54/74/948955474.db2.gz RPEICHBYKBFNJA-ZJUUUORDSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C(=O)N[C@H]1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C(F)F ZINC001573772241 948955487 /nfs/dbraw/zinc/95/54/87/948955487.db2.gz RPEICHBYKBFNJA-ZJUUUORDSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@@H](C)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574433809 948963038 /nfs/dbraw/zinc/96/30/38/948963038.db2.gz RGONMTNAIAMAEV-UWVGGRQHSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1ncsc1C(=O)N[C@@H](C)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574433809 948963049 /nfs/dbraw/zinc/96/30/49/948963049.db2.gz RGONMTNAIAMAEV-UWVGGRQHSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N(C)[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574433938 948970338 /nfs/dbraw/zinc/97/03/38/948970338.db2.gz WWWCYQCCQREYPU-NSHDSACASA-N -1 1 384.448 1.086 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574433938 948970344 /nfs/dbraw/zinc/97/03/44/948970344.db2.gz WWWCYQCCQREYPU-NSHDSACASA-N -1 1 384.448 1.086 20 0 GDADMM CC(C)(C(=O)NC[C@@H](CO)Nc1nc(-c2nn[n-]n2)c(Cl)s1)C1CC1 ZINC001573773426 948984484 /nfs/dbraw/zinc/98/44/84/948984484.db2.gz BQBGBFBZYOPWLX-QMMMGPOBSA-N -1 1 385.881 1.302 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CCc2ccccc2C1 ZINC001574689542 948985919 /nfs/dbraw/zinc/98/59/19/948985919.db2.gz IEQZDCOUYJXNSW-CJNGLKHVSA-N -1 1 392.467 1.769 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CCc2ccccc2C1 ZINC001574689542 948985924 /nfs/dbraw/zinc/98/59/24/948985924.db2.gz IEQZDCOUYJXNSW-CJNGLKHVSA-N -1 1 392.467 1.769 20 0 GDADMM CC(C)[C@H]1C[C@H](C(=O)NCC2(Nc3cnc(-c4nnn[n-]4)cn3)CC2)CCO1 ZINC001574090368 948988360 /nfs/dbraw/zinc/98/83/60/948988360.db2.gz IYTCEFBQFKULLX-TZMCWYRMSA-N -1 1 386.460 1.169 20 0 GDADMM CC(C)[C@H]1C[C@H](C(=O)NCC2(Nc3cnc(-c4nn[n-]n4)cn3)CC2)CCO1 ZINC001574090368 948988373 /nfs/dbraw/zinc/98/83/73/948988373.db2.gz IYTCEFBQFKULLX-TZMCWYRMSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H](F)Cc1ccccc1 ZINC001574690297 948997599 /nfs/dbraw/zinc/99/75/99/948997599.db2.gz OAZGIEIWASLFQO-OCCSQVGLSA-N -1 1 384.419 1.544 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H](F)Cc1ccccc1 ZINC001574690297 948997616 /nfs/dbraw/zinc/99/76/16/948997616.db2.gz OAZGIEIWASLFQO-OCCSQVGLSA-N -1 1 384.419 1.544 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001573774811 949022231 /nfs/dbraw/zinc/02/22/31/949022231.db2.gz WWFFGRFXICBLGE-AWEZNQCLSA-N -1 1 378.440 1.329 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001573774811 949022253 /nfs/dbraw/zinc/02/22/53/949022253.db2.gz WWFFGRFXICBLGE-AWEZNQCLSA-N -1 1 378.440 1.329 20 0 GDADMM CC(C)(C(=O)NCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C(F)F ZINC001573778946 949049452 /nfs/dbraw/zinc/04/94/52/949049452.db2.gz AHGIFROLWWMVNU-UHFFFAOYSA-N -1 1 380.403 1.281 20 0 GDADMM CC(C)(C(=O)NCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C(F)F ZINC001573778946 949049469 /nfs/dbraw/zinc/04/94/69/949049469.db2.gz AHGIFROLWWMVNU-UHFFFAOYSA-N -1 1 380.403 1.281 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1)c1ccccc1 ZINC001573778977 949051154 /nfs/dbraw/zinc/05/11/54/949051154.db2.gz BCSAAKHCQPTYIT-OAHLLOKOSA-N -1 1 392.467 1.720 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1)c1ccccc1 ZINC001573778977 949051173 /nfs/dbraw/zinc/05/11/73/949051173.db2.gz BCSAAKHCQPTYIT-OAHLLOKOSA-N -1 1 392.467 1.720 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001573779235 949052342 /nfs/dbraw/zinc/05/23/42/949052342.db2.gz DSAKNSKGPHPRHD-OAHLLOKOSA-N -1 1 392.467 1.720 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1)C(F)F ZINC001573779224 949055251 /nfs/dbraw/zinc/05/52/51/949055251.db2.gz DLHCCLOWUDHPIW-SNVBAGLBSA-N -1 1 380.403 1.423 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1)C(F)F ZINC001573779224 949055270 /nfs/dbraw/zinc/05/52/70/949055270.db2.gz DLHCCLOWUDHPIW-SNVBAGLBSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H](CN(C)C(=O)C(C)(C)c1ccccc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574693781 949058967 /nfs/dbraw/zinc/05/89/67/949058967.db2.gz JGCHKTPZUBIGRR-CYBMUJFWSA-N -1 1 380.456 1.315 20 0 GDADMM CC(C)c1occc1C(=O)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001574441537 949063954 /nfs/dbraw/zinc/06/39/54/949063954.db2.gz OIRKWDMGLOKTSP-GFCCVEGCSA-N -1 1 382.428 1.947 20 0 GDADMM CC(C)c1occc1C(=O)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001574441537 949063972 /nfs/dbraw/zinc/06/39/72/949063972.db2.gz OIRKWDMGLOKTSP-GFCCVEGCSA-N -1 1 382.428 1.947 20 0 GDADMM CC(C)c1occc1C(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574441712 949070512 /nfs/dbraw/zinc/07/05/12/949070512.db2.gz TXENULAPCDGTFE-UHFFFAOYSA-N -1 1 384.444 1.972 20 0 GDADMM CC(C)c1occc1C(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574441712 949070533 /nfs/dbraw/zinc/07/05/33/949070533.db2.gz TXENULAPCDGTFE-UHFFFAOYSA-N -1 1 384.444 1.972 20 0 GDADMM CC(C)[C@H]1C[C@@H](C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)CCO1 ZINC001574092694 949073511 /nfs/dbraw/zinc/07/35/11/949073511.db2.gz PPWZXYCBKATSSZ-SWLSCSKDSA-N -1 1 390.513 1.680 20 0 GDADMM CC(C)c1occc1C(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574441791 949076400 /nfs/dbraw/zinc/07/64/00/949076400.db2.gz XFPIENGQAGTKQO-LBPRGKRZSA-N -1 1 382.428 1.724 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCCN1c1nccnc1-c1nnn[n-]1)C(F)F ZINC001573780209 949079851 /nfs/dbraw/zinc/07/98/51/949079851.db2.gz SODGZDKRBJPDRP-JTQLQIEISA-N -1 1 380.403 1.423 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1CCCCN1c1nccnc1-c1nn[n-]n1)C(F)F ZINC001573780209 949079869 /nfs/dbraw/zinc/07/98/69/949079869.db2.gz SODGZDKRBJPDRP-JTQLQIEISA-N -1 1 380.403 1.423 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCCN1c1nccnc1-c1nnn[n-]1)C(F)F ZINC001573780210 949081238 /nfs/dbraw/zinc/08/12/38/949081238.db2.gz SODGZDKRBJPDRP-SNVBAGLBSA-N -1 1 380.403 1.423 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCCN1c1nccnc1-c1nn[n-]n1)C(F)F ZINC001573780210 949081256 /nfs/dbraw/zinc/08/12/56/949081256.db2.gz SODGZDKRBJPDRP-SNVBAGLBSA-N -1 1 380.403 1.423 20 0 GDADMM COc1ccc(S(=O)(=O)Nc2cccnc2-c2cnn(C)c2)cc1C(=O)[O-] ZINC000364906210 971543179 /nfs/dbraw/zinc/54/31/79/971543179.db2.gz QYDXLQVMGTXACW-UHFFFAOYSA-N -1 1 388.405 1.990 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)C1CCC1 ZINC001573780270 949084888 /nfs/dbraw/zinc/08/48/88/949084888.db2.gz UWMOAZHNJOJVFO-ZSOGYDGISA-N -1 1 382.472 1.281 20 0 GDADMM CC(C)(C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)C1CCC1 ZINC001573780270 949084901 /nfs/dbraw/zinc/08/49/01/949084901.db2.gz UWMOAZHNJOJVFO-ZSOGYDGISA-N -1 1 382.472 1.281 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1)C1CCC1 ZINC001573780265 949087033 /nfs/dbraw/zinc/08/70/33/949087033.db2.gz UVPRRJIIZRVJIK-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1)C1CCC1 ZINC001573780265 949087052 /nfs/dbraw/zinc/08/70/52/949087052.db2.gz UVPRRJIIZRVJIK-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CNC(=O)COCC1CC1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574929502 949094450 /nfs/dbraw/zinc/09/44/50/949094450.db2.gz FOODVIXEEJTPRY-QMMMGPOBSA-N -1 1 385.881 1.567 20 0 GDADMM C[C@@H](CNC(=O)COCC1CC1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574929502 949094478 /nfs/dbraw/zinc/09/44/78/949094478.db2.gz FOODVIXEEJTPRY-QMMMGPOBSA-N -1 1 385.881 1.567 20 0 GDADMM C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1csc(-c2nn[n-]n2)c1 ZINC001575505061 949103765 /nfs/dbraw/zinc/10/37/65/949103765.db2.gz YGQSXVFECZEOEV-SECBINFHSA-N -1 1 392.466 1.409 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1snnc1C1CC1 ZINC001574695169 949104251 /nfs/dbraw/zinc/10/42/51/949104251.db2.gz DEUIPXYPKZIOGZ-QMMMGPOBSA-N -1 1 386.445 1.006 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1snnc1C1CC1 ZINC001574695169 949104265 /nfs/dbraw/zinc/10/42/65/949104265.db2.gz DEUIPXYPKZIOGZ-QMMMGPOBSA-N -1 1 386.445 1.006 20 0 GDADMM CC(C)c1nocc1C(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574443299 949107870 /nfs/dbraw/zinc/10/78/70/949107870.db2.gz WZZYDIZLUVKWLZ-UHFFFAOYSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1nocc1C(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574443299 949107883 /nfs/dbraw/zinc/10/78/83/949107883.db2.gz WZZYDIZLUVKWLZ-UHFFFAOYSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1occc1C(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001574445790 949115824 /nfs/dbraw/zinc/11/58/24/949115824.db2.gz DBFDJHDOXXXGKC-LBPRGKRZSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)(C(=O)NCCC1(CNc2ccc(-c3nnn[n-]3)nn2)CC1)C(F)F ZINC001573782000 949116465 /nfs/dbraw/zinc/11/64/65/949116465.db2.gz NWPKRHSFDXKNJC-UHFFFAOYSA-N -1 1 380.403 1.646 20 0 GDADMM CC(C)(C(=O)NCCC1(CNc2ccc(-c3nn[n-]n3)nn2)CC1)C(F)F ZINC001573782000 949116473 /nfs/dbraw/zinc/11/64/73/949116473.db2.gz NWPKRHSFDXKNJC-UHFFFAOYSA-N -1 1 380.403 1.646 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cnn(C(C)(C)C)c1 ZINC001574695605 949117319 /nfs/dbraw/zinc/11/73/19/949117319.db2.gz IWEOKJKHCMWYCW-LLVKDONJSA-N -1 1 384.448 1.229 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cnn(C(C)(C)C)c1 ZINC001574695605 949117331 /nfs/dbraw/zinc/11/73/31/949117331.db2.gz IWEOKJKHCMWYCW-LLVKDONJSA-N -1 1 384.448 1.229 20 0 GDADMM C[C@H](NC(=O)C(C)(C)C1CC1)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575250972 949121595 /nfs/dbraw/zinc/12/15/95/949121595.db2.gz JLSVRABZCGVISY-STQMWFEESA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](NC(=O)C(C)(C)C1CC1)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575250972 949121611 /nfs/dbraw/zinc/12/16/11/949121611.db2.gz JLSVRABZCGVISY-STQMWFEESA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1ncc(Cl)s1 ZINC001574696203 949123804 /nfs/dbraw/zinc/12/38/04/949123804.db2.gz MWPIGNDFVVFLQE-ZETCQYMHSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1ncc(Cl)s1 ZINC001574696203 949123817 /nfs/dbraw/zinc/12/38/17/949123817.db2.gz MWPIGNDFVVFLQE-ZETCQYMHSA-N -1 1 379.837 1.387 20 0 GDADMM CC(C)c1occc1C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001574446196 949125929 /nfs/dbraw/zinc/12/59/29/949125929.db2.gz JUYIDIMSQZAFAU-JYAVWHMHSA-N -1 1 380.412 1.238 20 0 GDADMM CC(C)c1occc1C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001574446196 949125943 /nfs/dbraw/zinc/12/59/43/949125943.db2.gz JUYIDIMSQZAFAU-JYAVWHMHSA-N -1 1 380.412 1.238 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccc(Cl)s1 ZINC001574696258 949129404 /nfs/dbraw/zinc/12/94/04/949129404.db2.gz OTMPZKYUSOSNKI-MRVPVSSYSA-N -1 1 378.849 1.992 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccc(Cl)s1 ZINC001574696258 949129409 /nfs/dbraw/zinc/12/94/09/949129409.db2.gz OTMPZKYUSOSNKI-MRVPVSSYSA-N -1 1 378.849 1.992 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)COc1ccc(F)cc1 ZINC001574696399 949130642 /nfs/dbraw/zinc/13/06/42/949130642.db2.gz PMSVUPHBXDIESP-NSHDSACASA-N -1 1 386.391 1.182 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)COc1ccc(F)cc1 ZINC001574696399 949130651 /nfs/dbraw/zinc/13/06/51/949130651.db2.gz PMSVUPHBXDIESP-NSHDSACASA-N -1 1 386.391 1.182 20 0 GDADMM CC(C)(C(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001573782854 949136869 /nfs/dbraw/zinc/13/68/69/949136869.db2.gz LQYXHIZMYCHWBH-KYZUINATSA-N -1 1 384.366 1.552 20 0 GDADMM CC(C)(C(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573782854 949136887 /nfs/dbraw/zinc/13/68/87/949136887.db2.gz LQYXHIZMYCHWBH-KYZUINATSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H](C)Oc1ccccc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574697497 949154877 /nfs/dbraw/zinc/15/48/77/949154877.db2.gz AJXNCOJAKJECML-OLZOCXBDSA-N -1 1 382.428 1.383 20 0 GDADMM C[C@H](CN(C)C(=O)[C@H](C)Oc1ccccc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574697497 949154897 /nfs/dbraw/zinc/15/48/97/949154897.db2.gz AJXNCOJAKJECML-OLZOCXBDSA-N -1 1 382.428 1.383 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)c1ccccc1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575252222 949156267 /nfs/dbraw/zinc/15/62/67/949156267.db2.gz PMIYTDHLTJYYKJ-QWHCGFSZSA-N -1 1 380.456 1.940 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)c1ccccc1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575252222 949156253 /nfs/dbraw/zinc/15/62/53/949156253.db2.gz PMIYTDHLTJYYKJ-QWHCGFSZSA-N -1 1 380.456 1.940 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)N1CCC(CCNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574095829 949156197 /nfs/dbraw/zinc/15/61/97/949156197.db2.gz ZKIVFWBPXBCWSW-CABCVRRESA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)N1CCC(CCNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574095829 949156211 /nfs/dbraw/zinc/15/62/11/949156211.db2.gz ZKIVFWBPXBCWSW-CABCVRRESA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H](NC(=O)C(C)(C)CC(F)(F)F)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575252432 949162430 /nfs/dbraw/zinc/16/24/30/949162430.db2.gz QHXGAZIECQCBGY-RKDXNWHRSA-N -1 1 386.382 1.362 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H](F)Cc1ccccc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574697868 949162668 /nfs/dbraw/zinc/16/26/68/949162668.db2.gz CRXRUYHQTTULIL-JSGCOSHPSA-N -1 1 384.419 1.496 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H](F)Cc1ccccc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574697868 949162677 /nfs/dbraw/zinc/16/26/77/949162677.db2.gz CRXRUYHQTTULIL-JSGCOSHPSA-N -1 1 384.419 1.496 20 0 GDADMM CC(C)c1oncc1C(=O)N(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574448318 949183167 /nfs/dbraw/zinc/18/31/67/949183167.db2.gz IFDUDWGMPRCLRN-NSHDSACASA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1oncc1C(=O)N(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574448318 949183180 /nfs/dbraw/zinc/18/31/80/949183180.db2.gz IFDUDWGMPRCLRN-NSHDSACASA-N -1 1 383.416 1.119 20 0 GDADMM CC(C)c1oncc1C(=O)N1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001574449371 949196763 /nfs/dbraw/zinc/19/67/63/949196763.db2.gz QBKTYCOLIPMLBS-GWCFXTLKSA-N -1 1 383.416 1.341 20 0 GDADMM CC(C)c1oncc1C(=O)N1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001574449371 949196776 /nfs/dbraw/zinc/19/67/76/949196776.db2.gz QBKTYCOLIPMLBS-GWCFXTLKSA-N -1 1 383.416 1.341 20 0 GDADMM CC(C)c1oncc1C(=O)N1C[C@@H](C)[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574449408 949197911 /nfs/dbraw/zinc/19/79/11/949197911.db2.gz RDIXKAAUEARJKP-PWSUYJOCSA-N -1 1 383.416 1.341 20 0 GDADMM CC(C)c1oncc1C(=O)N1C[C@@H](C)[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574449408 949197928 /nfs/dbraw/zinc/19/79/28/949197928.db2.gz RDIXKAAUEARJKP-PWSUYJOCSA-N -1 1 383.416 1.341 20 0 GDADMM CC(C)c1oncc1C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001574449905 949205723 /nfs/dbraw/zinc/20/57/23/949205723.db2.gz VMFHODSWBQKIDN-LLVKDONJSA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1oncc1C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001574449905 949205739 /nfs/dbraw/zinc/20/57/39/949205739.db2.gz VMFHODSWBQKIDN-LLVKDONJSA-N -1 1 383.416 1.485 20 0 GDADMM CC1(Nc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)c2ccccc2F)CC1 ZINC001575853624 949218354 /nfs/dbraw/zinc/21/83/54/949218354.db2.gz WANVRUDIKSASLP-UHFFFAOYSA-N -1 1 382.403 1.903 20 0 GDADMM CC1(Nc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)c2ccccc2F)CC1 ZINC001575853624 949218369 /nfs/dbraw/zinc/21/83/69/949218369.db2.gz WANVRUDIKSASLP-UHFFFAOYSA-N -1 1 382.403 1.903 20 0 GDADMM CC1(Nc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001575853590 949218820 /nfs/dbraw/zinc/21/88/20/949218820.db2.gz UNMJKTFLODRWQI-MGPQQGTHSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(Nc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001575853590 949218842 /nfs/dbraw/zinc/21/88/42/949218842.db2.gz UNMJKTFLODRWQI-MGPQQGTHSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@](O)(CC(=O)N1CCC(C)(Nc2cncc(-c3nnn[n-]3)n2)CC1)C1CC1 ZINC001575853620 949221209 /nfs/dbraw/zinc/22/12/09/949221209.db2.gz VSQKDXVSJOTPCW-SFHVURJKSA-N -1 1 386.460 1.001 20 0 GDADMM C[C@](O)(CC(=O)N1CCC(C)(Nc2cncc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001575853620 949221231 /nfs/dbraw/zinc/22/12/31/949221231.db2.gz VSQKDXVSJOTPCW-SFHVURJKSA-N -1 1 386.460 1.001 20 0 GDADMM CC(C)CC(=O)N1CCC([C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001574103348 949240555 /nfs/dbraw/zinc/24/05/55/949240555.db2.gz QOHYVXUOOIKXGZ-HNNXBMFYSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)CC(=O)N1CCC([C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001574103348 949240588 /nfs/dbraw/zinc/24/05/88/949240588.db2.gz QOHYVXUOOIKXGZ-HNNXBMFYSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)CC(=O)N1CCC([C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574103444 949248828 /nfs/dbraw/zinc/24/88/28/949248828.db2.gz SLZIHISCAHGOLU-INIZCTEOSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CC(=O)N1CCC([C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574103444 949248839 /nfs/dbraw/zinc/24/88/39/949248839.db2.gz SLZIHISCAHGOLU-INIZCTEOSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(F)cc1F)CNc1nccnc1-c1nnn[n-]1 ZINC001574938686 949252479 /nfs/dbraw/zinc/25/24/79/949252479.db2.gz ZAEGEDVADJWVEY-JTQLQIEISA-N -1 1 388.382 1.342 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(F)cc1F)CNc1nccnc1-c1nn[n-]n1 ZINC001574938686 949252496 /nfs/dbraw/zinc/25/24/96/949252496.db2.gz ZAEGEDVADJWVEY-JTQLQIEISA-N -1 1 388.382 1.342 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(C2CC2)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001574940226 949257922 /nfs/dbraw/zinc/25/79/22/949257922.db2.gz BXBGWMKMHWPDFS-GFCCVEGCSA-N -1 1 378.440 1.693 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(C2CC2)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001574940226 949257941 /nfs/dbraw/zinc/25/79/41/949257941.db2.gz BXBGWMKMHWPDFS-GFCCVEGCSA-N -1 1 378.440 1.693 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(C2CC2)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574940203 949258923 /nfs/dbraw/zinc/25/89/23/949258923.db2.gz BDSINYSWQKDKAT-LBPRGKRZSA-N -1 1 378.440 1.693 20 0 GDADMM C[C@@H](CNC(=O)Cc1cccc(C2CC2)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574940203 949258942 /nfs/dbraw/zinc/25/89/42/949258942.db2.gz BDSINYSWQKDKAT-LBPRGKRZSA-N -1 1 378.440 1.693 20 0 GDADMM CC(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1ccnc(-c2nn[n-]n2)n1 ZINC001573792764 949262964 /nfs/dbraw/zinc/26/29/64/949262964.db2.gz VAADLSPIXOINHF-DGAVXFQQSA-N -1 1 382.472 1.376 20 0 GDADMM C[C@@H]1CCC[C@]1(C)C(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001576152824 949263611 /nfs/dbraw/zinc/26/36/11/949263611.db2.gz JQTPEKZFVJLFTF-PXWIGAEESA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H]1CCC[C@]1(C)C(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001576152824 949263632 /nfs/dbraw/zinc/26/36/32/949263632.db2.gz JQTPEKZFVJLFTF-PXWIGAEESA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(Cl)c1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574940642 949275547 /nfs/dbraw/zinc/27/55/47/949275547.db2.gz IAPFZLGXASLEHG-LLVKDONJSA-N -1 1 386.847 1.494 20 0 GDADMM C[C@H](CNC(=O)Cc1cccc(Cl)c1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574940642 949275574 /nfs/dbraw/zinc/27/55/74/949275574.db2.gz IAPFZLGXASLEHG-LLVKDONJSA-N -1 1 386.847 1.494 20 0 GDADMM CC(C)n1ccc(C(=O)NCC2(Nc3nccnc3-c3nnn[n-]3)CCC2)n1 ZINC001574457312 949323856 /nfs/dbraw/zinc/32/38/56/949323856.db2.gz GDSLPFHZZWWPRP-UHFFFAOYSA-N -1 1 382.432 1.199 20 0 GDADMM CC(C)n1ccc(C(=O)NCC2(Nc3nccnc3-c3nn[n-]n3)CCC2)n1 ZINC001574457312 949323876 /nfs/dbraw/zinc/32/38/76/949323876.db2.gz GDSLPFHZZWWPRP-UHFFFAOYSA-N -1 1 382.432 1.199 20 0 GDADMM C[C@H]1CCC[C@@]1(C)C(=O)NCCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001576154151 949324171 /nfs/dbraw/zinc/32/41/71/949324171.db2.gz NTWILOZWMMACCX-ORAYPTAESA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCC[C@@]1(C)C(=O)NCCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001576154151 949324194 /nfs/dbraw/zinc/32/41/94/949324194.db2.gz NTWILOZWMMACCX-ORAYPTAESA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CC(=O)N1CCO[C@@H](CNc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001574109764 949332753 /nfs/dbraw/zinc/33/27/53/949332753.db2.gz CXHNPZVVJZIDPT-VIFPVBQESA-N -1 1 385.881 1.662 20 0 GDADMM CC(C)CC(=O)N1CCO[C@@H](CNc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001574109764 949332775 /nfs/dbraw/zinc/33/27/75/949332775.db2.gz CXHNPZVVJZIDPT-VIFPVBQESA-N -1 1 385.881 1.662 20 0 GDADMM CC1=C(C)C[C@@H](C(=O)NC2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)CC1 ZINC001575862146 949340545 /nfs/dbraw/zinc/34/05/45/949340545.db2.gz YANGVIPYKSAUQQ-AWEZNQCLSA-N -1 1 382.472 1.878 20 0 GDADMM CC1=C(C)C[C@@H](C(=O)NC2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)CC1 ZINC001575862146 949340569 /nfs/dbraw/zinc/34/05/69/949340569.db2.gz YANGVIPYKSAUQQ-AWEZNQCLSA-N -1 1 382.472 1.878 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cnco1 ZINC001576154537 949346287 /nfs/dbraw/zinc/34/62/87/949346287.db2.gz DMOZUXGQMHEFTP-DIFFPNOSSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cnco1 ZINC001576154537 949346310 /nfs/dbraw/zinc/34/63/10/949346310.db2.gz DMOZUXGQMHEFTP-DIFFPNOSSA-N -1 1 383.416 1.436 20 0 GDADMM C[C@H](CN(C)C(=O)C12CCC(CC1)C2(C)C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574704293 949381620 /nfs/dbraw/zinc/38/16/20/949381620.db2.gz MCEXLTJMZWDIJO-BYKITBGFSA-N -1 1 384.488 1.554 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCCF ZINC001576155087 949382172 /nfs/dbraw/zinc/38/21/72/949382172.db2.gz GJNFDVJFVPUUDY-SJKOYZFVSA-N -1 1 376.440 1.883 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCCF ZINC001576155087 949382193 /nfs/dbraw/zinc/38/21/93/949382193.db2.gz GJNFDVJFVPUUDY-SJKOYZFVSA-N -1 1 376.440 1.883 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2(C(C)(F)F)CC2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575866088 949395136 /nfs/dbraw/zinc/39/51/36/949395136.db2.gz CRCRLRQSNVWNPB-GHMZBOCLSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C2(C(C)(F)F)CC2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575866088 949395156 /nfs/dbraw/zinc/39/51/56/949395156.db2.gz CRCRLRQSNVWNPB-GHMZBOCLSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@H](NC(=O)CC(C)(F)F)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575263788 949406723 /nfs/dbraw/zinc/40/67/23/949406723.db2.gz JMTQBLWZLFFUHU-WDEREUQCSA-N -1 1 380.403 1.423 20 0 GDADMM C[C@H](NC(=O)CC(C)(F)F)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575263788 949406741 /nfs/dbraw/zinc/40/67/41/949406741.db2.gz JMTQBLWZLFFUHU-WDEREUQCSA-N -1 1 380.403 1.423 20 0 GDADMM CC(C)n1cccc1C(=O)NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574465139 949430537 /nfs/dbraw/zinc/43/05/37/949430537.db2.gz PNHMMAFPQLDQJW-UHFFFAOYSA-N -1 1 381.444 1.438 20 0 GDADMM CC(C)n1cccc1C(=O)NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574465139 949430547 /nfs/dbraw/zinc/43/05/47/949430547.db2.gz PNHMMAFPQLDQJW-UHFFFAOYSA-N -1 1 381.444 1.438 20 0 GDADMM C[C@H](NC(=O)CC(C)(C)C(F)(F)F)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575264749 949435184 /nfs/dbraw/zinc/43/51/84/949435184.db2.gz PYCNDRFEXCCGKC-IUCAKERBSA-N -1 1 386.382 1.940 20 0 GDADMM C[C@H](NC(=O)CC(C)(C)C(F)(F)F)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575264749 949435210 /nfs/dbraw/zinc/43/52/10/949435210.db2.gz PYCNDRFEXCCGKC-IUCAKERBSA-N -1 1 386.382 1.940 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1 ZINC001574465705 949441493 /nfs/dbraw/zinc/44/14/93/949441493.db2.gz WVRBNWOEYADONG-ZDUSSCGKSA-N -1 1 381.444 1.438 20 0 GDADMM CC(C)n1cccc1C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1 ZINC001574465705 949441512 /nfs/dbraw/zinc/44/15/12/949441512.db2.gz WVRBNWOEYADONG-ZDUSSCGKSA-N -1 1 381.444 1.438 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C(C)(C)C(F)F)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575867744 949442140 /nfs/dbraw/zinc/44/21/40/949442140.db2.gz KBZYAEKCTNXCEN-NXEZZACHSA-N -1 1 380.403 1.422 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C(C)(C)C(F)F)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575867744 949442163 /nfs/dbraw/zinc/44/21/63/949442163.db2.gz KBZYAEKCTNXCEN-NXEZZACHSA-N -1 1 380.403 1.422 20 0 GDADMM CC(C)(C)C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCC1(F)F ZINC001573803520 949442923 /nfs/dbraw/zinc/44/29/23/949442923.db2.gz RAHLPDTYRCIDPM-JTQLQIEISA-N -1 1 380.403 1.281 20 0 GDADMM CC(C)(C)C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCC1(F)F ZINC001573803520 949442935 /nfs/dbraw/zinc/44/29/35/949442935.db2.gz RAHLPDTYRCIDPM-JTQLQIEISA-N -1 1 380.403 1.281 20 0 GDADMM CC(C)n1cccc1C(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574465690 949443842 /nfs/dbraw/zinc/44/38/42/949443842.db2.gz WIRFLDAJCPWPAK-TZMCWYRMSA-N -1 1 381.444 1.612 20 0 GDADMM CC(C)n1cccc1C(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574465690 949443864 /nfs/dbraw/zinc/44/38/64/949443864.db2.gz WIRFLDAJCPWPAK-TZMCWYRMSA-N -1 1 381.444 1.612 20 0 GDADMM CC1(C(=O)N2CCC([C@@H]3CCCN3c3cncc(-c4nnn[n-]4)n3)CC2)CC1 ZINC001575535349 949445747 /nfs/dbraw/zinc/44/57/47/949445747.db2.gz VTRAERYOJTXGMH-HNNXBMFYSA-N -1 1 382.472 1.664 20 0 GDADMM CC1(C(=O)N2CCC([C@@H]3CCCN3c3cncc(-c4nn[n-]n4)n3)CC2)CC1 ZINC001575535349 949445754 /nfs/dbraw/zinc/44/57/54/949445754.db2.gz VTRAERYOJTXGMH-HNNXBMFYSA-N -1 1 382.472 1.664 20 0 GDADMM CC(C)n1nccc1C(=O)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001574467943 949448086 /nfs/dbraw/zinc/44/80/86/949448086.db2.gz ABIGXCLYOPWHPG-GFCCVEGCSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1nccc1C(=O)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001574467943 949448097 /nfs/dbraw/zinc/44/80/97/949448097.db2.gz ABIGXCLYOPWHPG-GFCCVEGCSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ccn[nH]1 ZINC001576156608 949449937 /nfs/dbraw/zinc/44/99/37/949449937.db2.gz NRZXZXBCXYZJJZ-APPDUMDISA-N -1 1 382.432 1.171 20 0 GDADMM CC1(C(=O)N2CC[C@@]3(C2)CCCN(c2cncc(-c4nnn[n-]4)n2)C3)CCC1 ZINC001575535844 949458192 /nfs/dbraw/zinc/45/81/92/949458192.db2.gz CAFGMZUSKLMYQK-IBGZPJMESA-N -1 1 382.472 1.666 20 0 GDADMM CC1(C(=O)N2CC[C@@]3(C2)CCCN(c2cncc(-c4nn[n-]n4)n2)C3)CCC1 ZINC001575535844 949458205 /nfs/dbraw/zinc/45/82/05/949458205.db2.gz CAFGMZUSKLMYQK-IBGZPJMESA-N -1 1 382.472 1.666 20 0 GDADMM CC(C)n1nccc1C(=O)N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574468532 949461399 /nfs/dbraw/zinc/46/13/99/949461399.db2.gz OBEDYUIOBPSOBO-UHFFFAOYSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1nccc1C(=O)N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574468532 949461410 /nfs/dbraw/zinc/46/14/10/949461410.db2.gz OBEDYUIOBPSOBO-UHFFFAOYSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C(C2CC2)C2CC2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575868459 949463685 /nfs/dbraw/zinc/46/36/85/949463685.db2.gz NSIHPUYUQVZUGR-BXUZGUMPSA-N -1 1 382.472 1.566 20 0 GDADMM C[C@@H]1[C@H](NC(=O)C(C2CC2)C2CC2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575868459 949463701 /nfs/dbraw/zinc/46/37/01/949463701.db2.gz NSIHPUYUQVZUGR-BXUZGUMPSA-N -1 1 382.472 1.566 20 0 GDADMM CC(C)n1nccc1C(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001574470377 949497989 /nfs/dbraw/zinc/49/79/89/949497989.db2.gz OJSMWSYHOWWEEQ-CYBMUJFWSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1nccc1C(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001574470377 949497998 /nfs/dbraw/zinc/49/79/98/949497998.db2.gz OJSMWSYHOWWEEQ-CYBMUJFWSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@@H](C1CC1)N(C(=O)Cn1nnc(-c2ccccc2)c1-c1nn[n-]n1)C1CC1 ZINC001574471869 949538891 /nfs/dbraw/zinc/53/88/91/949538891.db2.gz OBRQHXGOLYMLAP-LBPRGKRZSA-N -1 1 378.440 1.915 20 0 GDADMM C[C@H](C1CC1)N(C(=O)Cn1nnc(-c2ccccc2)c1-c1nn[n-]n1)C1CC1 ZINC001574471868 949539633 /nfs/dbraw/zinc/53/96/33/949539633.db2.gz OBRQHXGOLYMLAP-GFCCVEGCSA-N -1 1 378.440 1.915 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2=CCCC2)[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576163863 949540142 /nfs/dbraw/zinc/54/01/42/949540142.db2.gz DENMVOLCLXMJIF-HIFRSBDPSA-N -1 1 382.472 1.618 20 0 GDADMM C[C@H](NC(=O)CC1(C(F)(F)F)CC1)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575269649 949555604 /nfs/dbraw/zinc/55/56/04/949555604.db2.gz WCDKORGHCLQOOT-IUCAKERBSA-N -1 1 384.366 1.116 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1COc2ccccc21)Nc1nccnc1-c1nnn[n-]1 ZINC001574711795 949555973 /nfs/dbraw/zinc/55/59/73/949555973.db2.gz MJEGWTIAIKIAJZ-WCQYABFASA-N -1 1 380.412 1.092 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1COc2ccccc21)Nc1nccnc1-c1nn[n-]n1 ZINC001574711795 949555997 /nfs/dbraw/zinc/55/59/97/949555997.db2.gz MJEGWTIAIKIAJZ-WCQYABFASA-N -1 1 380.412 1.092 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CC2CC(F)(F)C2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575873106 949566916 /nfs/dbraw/zinc/56/69/16/949566916.db2.gz NHJVPTIYXHFDLA-ZYHUDNBSSA-N -1 1 392.414 1.566 20 0 GDADMM CC(C)C[C@@H](C(=O)NC[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1)n1ccnc1 ZINC001574124118 949566973 /nfs/dbraw/zinc/56/69/73/949566973.db2.gz CEAUQQKLPQOCRW-OCCSQVGLSA-N -1 1 384.448 1.057 20 0 GDADMM C[C@@H]1[C@H](NC(=O)CC2CC(F)(F)C2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575873106 949566928 /nfs/dbraw/zinc/56/69/28/949566928.db2.gz NHJVPTIYXHFDLA-ZYHUDNBSSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@@H](CC(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nn1)c1ccccc1 ZINC001574475608 949572954 /nfs/dbraw/zinc/57/29/54/949572954.db2.gz BJOOMGJRUJEKFY-AWEZNQCLSA-N -1 1 380.456 1.745 20 0 GDADMM C[C@@H](CC(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nn1)c1ccccc1 ZINC001574475608 949572974 /nfs/dbraw/zinc/57/29/74/949572974.db2.gz BJOOMGJRUJEKFY-AWEZNQCLSA-N -1 1 380.456 1.745 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1 ZINC001574475834 949578533 /nfs/dbraw/zinc/57/85/33/949578533.db2.gz CDKYACWLPDWZEU-HOCLYGCPSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1 ZINC001574475834 949578551 /nfs/dbraw/zinc/57/85/51/949578551.db2.gz CDKYACWLPDWZEU-HOCLYGCPSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@H]1[C@H](NC(=O)CC(C)(C)C2CC2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575873440 949579739 /nfs/dbraw/zinc/57/97/39/949579739.db2.gz PGUABZOMBOYOSQ-GXTWGEPZSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H]1[C@H](NC(=O)CC(C)(C)C2CC2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575873440 949579761 /nfs/dbraw/zinc/57/97/61/949579761.db2.gz PGUABZOMBOYOSQ-GXTWGEPZSA-N -1 1 384.488 1.957 20 0 GDADMM C[C@H](CNC(=O)[C@H]1C[C@H]2C[C@H]2C1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574956518 949581445 /nfs/dbraw/zinc/58/14/45/949581445.db2.gz JTAKATNQLUJAAY-IMSYWVGJSA-N -1 1 381.893 1.964 20 0 GDADMM C[C@H]1CCCC[C@@H]1OCC(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001576166509 949584281 /nfs/dbraw/zinc/58/42/81/949584281.db2.gz MPOQAGPYAIOOCT-XPCVCDNBSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@H]1CCCC[C@@H]1OCC(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001576166509 949584298 /nfs/dbraw/zinc/58/42/98/949584298.db2.gz MPOQAGPYAIOOCT-XPCVCDNBSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574956706 949587280 /nfs/dbraw/zinc/58/72/80/949587280.db2.gz MCTBDWOUVMEQEE-HBNTYKKESA-N -1 1 398.393 1.364 20 0 GDADMM CC(C)C[C@@H](C(=O)NC[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1)n1ccnc1 ZINC001574125833 949590195 /nfs/dbraw/zinc/59/01/95/949590195.db2.gz SXBVQYWDOHYZPS-JSGCOSHPSA-N -1 1 384.448 1.057 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2C=CC=CC=C2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575874157 949605915 /nfs/dbraw/zinc/60/59/15/949605915.db2.gz RSRUEFYEIGZZQI-ZFWWWQNUSA-N -1 1 378.440 1.429 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccco1 ZINC001574476912 949630152 /nfs/dbraw/zinc/63/01/52/949630152.db2.gz LUHBCDHMJRBOSP-STQMWFEESA-N -1 1 382.428 1.481 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574476912 949630162 /nfs/dbraw/zinc/63/01/62/949630162.db2.gz LUHBCDHMJRBOSP-STQMWFEESA-N -1 1 382.428 1.481 20 0 GDADMM C[C@H](CC(=O)N(C)C[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1)CC(C)(C)C ZINC001574477123 949638797 /nfs/dbraw/zinc/63/87/97/949638797.db2.gz OTLSUUBNYAQYAU-CHWSQXEVSA-N -1 1 390.492 1.350 20 0 GDADMM C[C@H](CC(=O)N(C)C[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1)CC(C)(C)C ZINC001574477123 949638814 /nfs/dbraw/zinc/63/88/14/949638814.db2.gz OTLSUUBNYAQYAU-CHWSQXEVSA-N -1 1 390.492 1.350 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@@H]1CCCC1(F)F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574715204 949646381 /nfs/dbraw/zinc/64/63/81/949646381.db2.gz HVKTWLQWOYKVDH-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@@H]1CCCC1(F)F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574715204 949646398 /nfs/dbraw/zinc/64/63/98/949646398.db2.gz HVKTWLQWOYKVDH-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1ccc(Cl)[nH]1 ZINC001573815001 949646495 /nfs/dbraw/zinc/64/64/95/949646495.db2.gz GAABJQWQCOMSOR-LLVKDONJSA-N -1 1 389.851 1.895 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1ccc(Cl)[nH]1 ZINC001573815001 949646517 /nfs/dbraw/zinc/64/65/17/949646517.db2.gz GAABJQWQCOMSOR-LLVKDONJSA-N -1 1 389.851 1.895 20 0 GDADMM C[C@H](CC(=O)N(C)CCCN(C)c1cnc(-c2nnn[n-]2)cn1)c1ccco1 ZINC001574477676 949668950 /nfs/dbraw/zinc/66/89/50/949668950.db2.gz UFBWHDJSMMSXFB-CYBMUJFWSA-N -1 1 384.444 1.728 20 0 GDADMM C[C@H](CC(=O)N(C)CCCN(C)c1cnc(-c2nn[n-]n2)cn1)c1ccco1 ZINC001574477676 949668963 /nfs/dbraw/zinc/66/89/63/949668963.db2.gz UFBWHDJSMMSXFB-CYBMUJFWSA-N -1 1 384.444 1.728 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1(C(F)F)CC1 ZINC001573816188 949676331 /nfs/dbraw/zinc/67/63/31/949676331.db2.gz PMXPWFJYXVLTET-SECBINFHSA-N -1 1 380.403 1.067 20 0 GDADMM CC1(C(=O)N2C[C@@H]3CCC[C@]3(CNc3nccnc3-c3nnn[n-]3)C2)CCC1 ZINC001575553625 949686627 /nfs/dbraw/zinc/68/66/27/949686627.db2.gz NETKCAMXCIJZPI-DJJJIMSYSA-N -1 1 382.472 1.888 20 0 GDADMM CC1(C(=O)N2C[C@@H]3CCC[C@]3(CNc3nccnc3-c3nn[n-]n3)C2)CCC1 ZINC001575553625 949686634 /nfs/dbraw/zinc/68/66/34/949686634.db2.gz NETKCAMXCIJZPI-DJJJIMSYSA-N -1 1 382.472 1.888 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CC[C@@H]1CCCO1 ZINC001573817141 949695434 /nfs/dbraw/zinc/69/54/34/949695434.db2.gz XNZZZEVDENWBKE-JSGCOSHPSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CC[C@@H]1CCCO1 ZINC001573817141 949695447 /nfs/dbraw/zinc/69/54/47/949695447.db2.gz XNZZZEVDENWBKE-JSGCOSHPSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H](CC(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574478356 949703532 /nfs/dbraw/zinc/70/35/32/949703532.db2.gz YPCNVTRWTRJFKF-ZIAGYGMSSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CCc2ccoc2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575881249 949714328 /nfs/dbraw/zinc/71/43/28/949714328.db2.gz WSHZNRAROOWIED-JSGCOSHPSA-N -1 1 382.428 1.356 20 0 GDADMM C[C@H]1[C@@H](NC(=O)CCc2ccoc2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575881249 949714342 /nfs/dbraw/zinc/71/43/42/949714342.db2.gz WSHZNRAROOWIED-JSGCOSHPSA-N -1 1 382.428 1.356 20 0 GDADMM C[C@@H]1CCCN(C(=O)Cc2ccc[nH]2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576170274 949714857 /nfs/dbraw/zinc/71/48/57/949714857.db2.gz JTLKESGPCCACNQ-OCCSQVGLSA-N -1 1 381.444 1.267 20 0 GDADMM C[C@@H]1CCCN(C(=O)Cc2ccc[nH]2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576170274 949714866 /nfs/dbraw/zinc/71/48/66/949714866.db2.gz JTLKESGPCCACNQ-OCCSQVGLSA-N -1 1 381.444 1.267 20 0 GDADMM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)Cc1ccccc1 ZINC001573818123 949718562 /nfs/dbraw/zinc/71/85/62/949718562.db2.gz GSJAJRXULLFMOQ-AWEZNQCLSA-N -1 1 380.456 1.264 20 0 GDADMM C[C@H](CC(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)c1ccccc1 ZINC001574478828 949724453 /nfs/dbraw/zinc/72/44/53/949724453.db2.gz BBSKRZJSYUXBSF-CQSZACIVSA-N -1 1 392.467 1.675 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[C@@H]1CCCOC1 ZINC001573818525 949737213 /nfs/dbraw/zinc/73/72/13/949737213.db2.gz NCNMAVWTZGWZRP-GXTWGEPZSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[C@@H]1CCCOC1 ZINC001573818525 949737233 /nfs/dbraw/zinc/73/72/33/949737233.db2.gz NCNMAVWTZGWZRP-GXTWGEPZSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)Cc2ccsc2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575881927 949742077 /nfs/dbraw/zinc/74/20/77/949742077.db2.gz DCUVXFKGYYOWHY-YPMHNXCESA-N -1 1 384.469 1.434 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)Cc2ccsc2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575881927 949742091 /nfs/dbraw/zinc/74/20/91/949742091.db2.gz DCUVXFKGYYOWHY-YPMHNXCESA-N -1 1 384.469 1.434 20 0 GDADMM C[C@H]1[C@@H](NC(=O)Cc2ccsc2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575881924 949742895 /nfs/dbraw/zinc/74/28/95/949742895.db2.gz DCUVXFKGYYOWHY-AAEUAGOBSA-N -1 1 384.469 1.434 20 0 GDADMM C[C@H]1[C@@H](NC(=O)Cc2ccsc2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575881924 949742908 /nfs/dbraw/zinc/74/29/08/949742908.db2.gz DCUVXFKGYYOWHY-AAEUAGOBSA-N -1 1 384.469 1.434 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccccc1 ZINC001574479746 949744549 /nfs/dbraw/zinc/74/45/49/949744549.db2.gz GQTUAKCAAKXQHY-ZFWWWQNUSA-N -1 1 378.440 1.863 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccccc1 ZINC001574479746 949744559 /nfs/dbraw/zinc/74/45/59/949744559.db2.gz GQTUAKCAAKXQHY-ZFWWWQNUSA-N -1 1 378.440 1.863 20 0 GDADMM C[C@H]1[C@H](NC(=O)Cc2cccs2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575882034 949747856 /nfs/dbraw/zinc/74/78/56/949747856.db2.gz FRMWKBVFPAZEOY-WCQYABFASA-N -1 1 384.469 1.434 20 0 GDADMM C[C@@H]1CCCN(C(=O)CCCF)[C@@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576171337 949755564 /nfs/dbraw/zinc/75/55/64/949755564.db2.gz QJIFDWCUHPJGLU-TZMCWYRMSA-N -1 1 376.440 1.836 20 0 GDADMM C[C@@H]1CCCN(C(=O)CCCF)[C@@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576171337 949755580 /nfs/dbraw/zinc/75/55/80/949755580.db2.gz QJIFDWCUHPJGLU-TZMCWYRMSA-N -1 1 376.440 1.836 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574481022 949764565 /nfs/dbraw/zinc/76/45/65/949764565.db2.gz MCUJIEJCWGYVHR-LSDHHAIUSA-N -1 1 392.467 1.533 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)N(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001574137756 949767557 /nfs/dbraw/zinc/76/75/57/949767557.db2.gz XEOGJWUJXORQHY-HIFRSBDPSA-N -1 1 386.504 1.800 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H]1CCC1(F)F ZINC001573820750 949769008 /nfs/dbraw/zinc/76/90/08/949769008.db2.gz ZXCKZSKWRRJUPH-MWLCHTKSSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H]1CCC1(F)F ZINC001573820750 949769022 /nfs/dbraw/zinc/76/90/22/949769022.db2.gz ZXCKZSKWRRJUPH-MWLCHTKSSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@@H](CN(C)C(=O)CCCC1CCOCC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574718281 949772564 /nfs/dbraw/zinc/77/25/64/949772564.db2.gz UYDPAKDSDAHVAH-ZDUSSCGKSA-N -1 1 388.476 1.512 20 0 GDADMM C[C@@H](CN(C)C(=O)CCCC1CCOCC1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574718281 949772574 /nfs/dbraw/zinc/77/25/74/949772574.db2.gz UYDPAKDSDAHVAH-ZDUSSCGKSA-N -1 1 388.476 1.512 20 0 GDADMM C[C@H]1CCCC[C@H]1CC(=O)NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576171615 949774554 /nfs/dbraw/zinc/77/45/54/949774554.db2.gz QPGAXUYEGYPZRF-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCCC[C@H]1CC(=O)NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576171615 949774566 /nfs/dbraw/zinc/77/45/66/949774566.db2.gz QPGAXUYEGYPZRF-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CC[C@@H]1CCOC1 ZINC001573821845 949778851 /nfs/dbraw/zinc/77/88/51/949778851.db2.gz DRRCFNSXAFATRY-OLZOCXBDSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CC[C@@H]1CCOC1 ZINC001573821845 949778864 /nfs/dbraw/zinc/77/88/64/949778864.db2.gz DRRCFNSXAFATRY-OLZOCXBDSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@H](C)c1ccncc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574718345 949778899 /nfs/dbraw/zinc/77/88/99/949778899.db2.gz ZZOXHRMZKHRNSH-STQMWFEESA-N -1 1 381.444 1.504 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@H](C)c1ccncc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574718345 949778920 /nfs/dbraw/zinc/77/89/20/949778920.db2.gz ZZOXHRMZKHRNSH-STQMWFEESA-N -1 1 381.444 1.504 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1C[C@@H]1C(F)F ZINC001573821781 949779962 /nfs/dbraw/zinc/77/99/62/949779962.db2.gz DJXHXHRWKBMXEL-GUBZILKMSA-N -1 1 380.403 1.501 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1C[C@@H]1C(F)F ZINC001573821781 949779976 /nfs/dbraw/zinc/77/99/76/949779976.db2.gz DJXHXHRWKBMXEL-GUBZILKMSA-N -1 1 380.403 1.501 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C1(CCF)CC1 ZINC001573822222 949788002 /nfs/dbraw/zinc/78/80/02/949788002.db2.gz GWXXMNSBFVEXRN-LLVKDONJSA-N -1 1 376.440 1.739 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C1(CCF)CC1 ZINC001573822222 949788014 /nfs/dbraw/zinc/78/80/14/949788014.db2.gz GWXXMNSBFVEXRN-LLVKDONJSA-N -1 1 376.440 1.739 20 0 GDADMM C[C@@H](CNC(=O)c1c(F)cccc1Cl)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574965669 949807991 /nfs/dbraw/zinc/80/79/91/949807991.db2.gz IYNIHSZRMCCGOR-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CNC(=O)c1c(F)cccc1Cl)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574965669 949808015 /nfs/dbraw/zinc/80/80/15/949808015.db2.gz IYNIHSZRMCCGOR-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H]1CCCC[C@H]1C(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001576172405 949808121 /nfs/dbraw/zinc/80/81/21/949808121.db2.gz UPOXIURHGXXGMU-BYNSBNAKSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H]1CCCC[C@H]1C(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001576172405 949808146 /nfs/dbraw/zinc/80/81/46/949808146.db2.gz UPOXIURHGXXGMU-BYNSBNAKSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H](CN(C)C(=O)CCCc1ccccn1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574721488 949818469 /nfs/dbraw/zinc/81/84/69/949818469.db2.gz MIKPCQBHTWHMTM-ZDUSSCGKSA-N -1 1 381.444 1.333 20 0 GDADMM C[C@@H](CN(C)C(=O)CCCc1ccccn1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574721488 949818495 /nfs/dbraw/zinc/81/84/95/949818495.db2.gz MIKPCQBHTWHMTM-ZDUSSCGKSA-N -1 1 381.444 1.333 20 0 GDADMM C[C@@H]1CCCN(C(=O)CCC(F)F)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576172911 949828373 /nfs/dbraw/zinc/82/83/73/949828373.db2.gz ZIIFSPBIXDZEBM-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H]1CCCN(C(=O)CCC(F)F)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576172911 949828397 /nfs/dbraw/zinc/82/83/97/949828397.db2.gz ZIIFSPBIXDZEBM-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNC(=O)[C@H]1C[C@@H]1C(F)F)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574966272 949838182 /nfs/dbraw/zinc/83/81/82/949838182.db2.gz VVJAZADKKQDRPU-ZLUOBGJFSA-N -1 1 377.808 1.794 20 0 GDADMM C[C@@H](CNC(=O)[C@H]1C[C@@H]1C(F)F)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574966272 949838205 /nfs/dbraw/zinc/83/82/05/949838205.db2.gz VVJAZADKKQDRPU-ZLUOBGJFSA-N -1 1 377.808 1.794 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)C1CC1 ZINC001574483779 949843443 /nfs/dbraw/zinc/84/34/43/949843443.db2.gz LZZLDZGYGMUUGO-DUVNUKRYSA-N -1 1 382.472 1.520 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)C1CC1 ZINC001574483779 949843467 /nfs/dbraw/zinc/84/34/67/949843467.db2.gz LZZLDZGYGMUUGO-DUVNUKRYSA-N -1 1 382.472 1.520 20 0 GDADMM CC(C)(C)C1CC(C(=O)N2CC[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)C1 ZINC001573824980 949857228 /nfs/dbraw/zinc/85/72/28/949857228.db2.gz JVLIPSKXSQNLCP-HSBZDZAISA-N -1 1 384.488 1.989 20 0 GDADMM CC(C)(C)C1CC(C(=O)N2CC[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)C1 ZINC001573824980 949857243 /nfs/dbraw/zinc/85/72/43/949857243.db2.gz JVLIPSKXSQNLCP-HSBZDZAISA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H](NC(=O)COCC1CC1)[C@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575283139 949858777 /nfs/dbraw/zinc/85/87/77/949858777.db2.gz NQBAZUCKIATPRM-YUMQZZPRSA-N -1 1 385.881 1.708 20 0 GDADMM C[C@H](NC(=O)COCC1CC1)[C@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575283139 949858799 /nfs/dbraw/zinc/85/87/99/949858799.db2.gz NQBAZUCKIATPRM-YUMQZZPRSA-N -1 1 385.881 1.708 20 0 GDADMM CC(C)(C)C1CC(C(=O)NCCN(c2ccnc(-c3nn[n-]n3)n2)C2CC2)C1 ZINC001573825198 949860892 /nfs/dbraw/zinc/86/08/92/949860892.db2.gz MNQQNQJMXIRETO-UHFFFAOYSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H](C)NC(=O)Cc1c[nH]c2cnccc12 ZINC001575283338 949863972 /nfs/dbraw/zinc/86/39/72/949863972.db2.gz OHNOOZAJYBTUKQ-MNOVXSKESA-N -1 1 392.427 1.081 20 0 GDADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)Cc1c[nH]c2cnccc12 ZINC001575283338 949863998 /nfs/dbraw/zinc/86/39/98/949863998.db2.gz OHNOOZAJYBTUKQ-MNOVXSKESA-N -1 1 392.427 1.081 20 0 GDADMM C[C@H](CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1)C1CCCCC1 ZINC001574484132 949866000 /nfs/dbraw/zinc/86/60/00/949866000.db2.gz WGJIPZMHFONRKP-CQSZACIVSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@H](CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1)C1CCCCC1 ZINC001574484132 949866022 /nfs/dbraw/zinc/86/60/22/949866022.db2.gz WGJIPZMHFONRKP-CQSZACIVSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H](C)NC(=O)Cc1c(F)cccc1F ZINC001575283396 949869841 /nfs/dbraw/zinc/86/98/41/949869841.db2.gz ORCDURUBAFSJTL-ZJUUUORDSA-N -1 1 388.382 1.483 20 0 GDADMM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)Cc1c(F)cccc1F ZINC001575283396 949869856 /nfs/dbraw/zinc/86/98/56/949869856.db2.gz ORCDURUBAFSJTL-ZJUUUORDSA-N -1 1 388.382 1.483 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccns2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576178006 949873001 /nfs/dbraw/zinc/87/30/01/949873001.db2.gz AMHTWSFGLUQWFA-JQWIXIFHSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccns2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576178006 949873027 /nfs/dbraw/zinc/87/30/27/949873027.db2.gz AMHTWSFGLUQWFA-JQWIXIFHSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@@H](CC(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C1CCCCC1 ZINC001574484335 949879284 /nfs/dbraw/zinc/87/92/84/949879284.db2.gz ZRYRXUALYVHXHS-AWEZNQCLSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@@H](CC(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C1CCCCC1 ZINC001574484335 949879310 /nfs/dbraw/zinc/87/93/10/949879310.db2.gz ZRYRXUALYVHXHS-AWEZNQCLSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)(C)C1CC(C(=O)N[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C2CC2)C1 ZINC001573825397 949881353 /nfs/dbraw/zinc/88/13/53/949881353.db2.gz UMKNUERJXOTTDV-RUXDESIVSA-N -1 1 384.488 1.458 20 0 GDADMM C[C@@H](CC(=O)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C(F)(F)F ZINC001574484671 949891773 /nfs/dbraw/zinc/89/17/73/949891773.db2.gz LUKVVQWKPAGVIK-JTQLQIEISA-N -1 1 384.366 1.284 20 0 GDADMM C[C@@H](CC(=O)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C(F)(F)F ZINC001574484671 949891791 /nfs/dbraw/zinc/89/17/91/949891791.db2.gz LUKVVQWKPAGVIK-JTQLQIEISA-N -1 1 384.366 1.284 20 0 GDADMM C[C@@H](NC(=O)Cc1cc(C2CC2)no1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575284378 949904578 /nfs/dbraw/zinc/90/45/78/949904578.db2.gz USILHGWYJHAUPG-VHSXEESVSA-N -1 1 383.416 1.070 20 0 GDADMM C[C@@H](NC(=O)Cc1cc(C2CC2)no1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575284378 949904597 /nfs/dbraw/zinc/90/45/97/949904597.db2.gz USILHGWYJHAUPG-VHSXEESVSA-N -1 1 383.416 1.070 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H]2[C@H]1CCN2c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001574484853 949905422 /nfs/dbraw/zinc/90/54/22/949905422.db2.gz QAYHLQNGCQCBSC-BPLDGKMQSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H]2[C@H]1CCN2c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001574484853 949905433 /nfs/dbraw/zinc/90/54/33/949905433.db2.gz QAYHLQNGCQCBSC-BPLDGKMQSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H](NC(=O)COC(C)(C)C)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575284794 949916102 /nfs/dbraw/zinc/91/61/02/949916102.db2.gz WNEXSMHXUSFUFZ-OLZOCXBDSA-N -1 1 388.476 1.193 20 0 GDADMM C[C@@H](NC(=O)COC(C)(C)C)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575284794 949916122 /nfs/dbraw/zinc/91/61/22/949916122.db2.gz WNEXSMHXUSFUFZ-OLZOCXBDSA-N -1 1 388.476 1.193 20 0 GDADMM CC1(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2(C)C)CCCC1 ZINC001575570544 949938721 /nfs/dbraw/zinc/93/87/21/949938721.db2.gz RLPIIVSCWUYNAB-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2(C)C)CCCC1 ZINC001575570544 949938746 /nfs/dbraw/zinc/93/87/46/949938746.db2.gz RLPIIVSCWUYNAB-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CC(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)c1ccco1 ZINC001574488859 949953496 /nfs/dbraw/zinc/95/34/96/949953496.db2.gz GTLRSKVRQVISAQ-BXUZGUMPSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](CC(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)c1ccco1 ZINC001574488859 949953517 /nfs/dbraw/zinc/95/35/17/949953517.db2.gz GTLRSKVRQVISAQ-BXUZGUMPSA-N -1 1 382.428 1.750 20 0 GDADMM CC(C)(C)CC(=O)N(CCO)CCNc1snc(Cl)c1-c1nnn[n-]1 ZINC001573829451 949955263 /nfs/dbraw/zinc/95/52/63/949955263.db2.gz ZKCPCRMPGGXYCQ-UHFFFAOYSA-N -1 1 387.897 1.646 20 0 GDADMM CC(C)(C)CC(=O)N(CCO)CCNc1snc(Cl)c1-c1nn[n-]n1 ZINC001573829451 949955286 /nfs/dbraw/zinc/95/52/86/949955286.db2.gz ZKCPCRMPGGXYCQ-UHFFFAOYSA-N -1 1 387.897 1.646 20 0 GDADMM C[C@H](CC(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)c1ccco1 ZINC001574490021 949979144 /nfs/dbraw/zinc/97/91/44/949979144.db2.gz NCWMNVHPMOYDCH-DGCLKSJQSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](CC(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)c1ccco1 ZINC001574490021 949979169 /nfs/dbraw/zinc/97/91/69/949979169.db2.gz NCWMNVHPMOYDCH-DGCLKSJQSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@@H](CC(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)C(F)(F)F ZINC001574490292 949985359 /nfs/dbraw/zinc/98/53/59/949985359.db2.gz PHTOZYOJJQSAFP-WPRPVWTQSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](CC(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)C(F)(F)F ZINC001574490292 949985374 /nfs/dbraw/zinc/98/53/74/949985374.db2.gz PHTOZYOJJQSAFP-WPRPVWTQSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2ccc(F)s2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575891101 949986505 /nfs/dbraw/zinc/98/65/05/949986505.db2.gz DXVXIHWOAQTVFN-VHSXEESVSA-N -1 1 388.432 1.645 20 0 GDADMM C[C@H]1[C@H](NC(=O)c2ccc(F)s2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575891101 949986522 /nfs/dbraw/zinc/98/65/22/949986522.db2.gz DXVXIHWOAQTVFN-VHSXEESVSA-N -1 1 388.432 1.645 20 0 GDADMM CC1(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CC2(C)C)CC(F)(F)C1 ZINC001575574060 950013916 /nfs/dbraw/zinc/01/39/16/950013916.db2.gz RKLQKNGADWXBKM-SNVBAGLBSA-N -1 1 392.414 1.423 20 0 GDADMM C[C@H](CC(=O)NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C(F)(F)F ZINC001574491395 950035333 /nfs/dbraw/zinc/03/53/33/950035333.db2.gz CHQMJFIJEDLLRF-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](CC(=O)NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C(F)(F)F ZINC001574491395 950035351 /nfs/dbraw/zinc/03/53/51/950035351.db2.gz CHQMJFIJEDLLRF-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2)C1CC1 ZINC001574491784 950045565 /nfs/dbraw/zinc/04/55/65/950045565.db2.gz FXVZZTTYAOCAIO-JSGCOSHPSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001574491798 950046130 /nfs/dbraw/zinc/04/61/30/950046130.db2.gz GDMYMXIGPCVAAX-ZJUUUORDSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574491798 950046153 /nfs/dbraw/zinc/04/61/53/950046153.db2.gz GDMYMXIGPCVAAX-ZJUUUORDSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cn[nH]c2)[C@@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001576182352 950049113 /nfs/dbraw/zinc/04/91/13/950049113.db2.gz ODARVYTVNGTZFL-DGCLKSJQSA-N -1 1 382.432 1.123 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cn[nH]c2)[C@@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001576182352 950049135 /nfs/dbraw/zinc/04/91/35/950049135.db2.gz ODARVYTVNGTZFL-DGCLKSJQSA-N -1 1 382.432 1.123 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ccc2c(c1)CCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001574731503 950053164 /nfs/dbraw/zinc/05/31/64/950053164.db2.gz VTFWRKTWQHIPNR-ZDUSSCGKSA-N -1 1 392.467 1.647 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1ccc2c(c1)CCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001574731503 950053188 /nfs/dbraw/zinc/05/31/88/950053188.db2.gz VTFWRKTWQHIPNR-ZDUSSCGKSA-N -1 1 392.467 1.647 20 0 GDADMM C[C@H]1CCN(C(=O)Cc2ccccc2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576183297 950078690 /nfs/dbraw/zinc/07/86/90/950078690.db2.gz PCNRETRGRVZQNG-GOEBONIOSA-N -1 1 392.467 1.796 20 0 GDADMM C[C@H]1CCN(C(=O)Cc2ccccc2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576183297 950078714 /nfs/dbraw/zinc/07/87/14/950078714.db2.gz PCNRETRGRVZQNG-GOEBONIOSA-N -1 1 392.467 1.796 20 0 GDADMM C[C@@H]1CCN(C(=O)C2CC3(CC3)C2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576183329 950079976 /nfs/dbraw/zinc/07/99/76/950079976.db2.gz PIKCGKXHDMDENW-OCCSQVGLSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@@H]1CCN(C(=O)C2CC3(CC3)C2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576183329 950080001 /nfs/dbraw/zinc/08/00/01/950080001.db2.gz PIKCGKXHDMDENW-OCCSQVGLSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@@H](CC(=O)N[C@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccco1 ZINC001574492383 950079989 /nfs/dbraw/zinc/07/99/89/950079989.db2.gz MSYJSINTXGNGQZ-KPZWWZAWSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](CC(=O)N[C@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574492383 950080011 /nfs/dbraw/zinc/08/00/11/950080011.db2.gz MSYJSINTXGNGQZ-KPZWWZAWSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H]1CCN(C(=O)C2CC(F)(F)C2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576183588 950089857 /nfs/dbraw/zinc/08/98/57/950089857.db2.gz QHHBABHQWLZPGN-PWSUYJOCSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@@H]1CCN(C(=O)C2CC(F)(F)C2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576183588 950089880 /nfs/dbraw/zinc/08/98/80/950089880.db2.gz QHHBABHQWLZPGN-PWSUYJOCSA-N -1 1 392.414 1.599 20 0 GDADMM C[C@H](CC(=O)N[C@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001574492485 950090367 /nfs/dbraw/zinc/09/03/67/950090367.db2.gz NHRLBWKONXATII-YMTOWFKASA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](CC(=O)N[C@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001574492485 950090386 /nfs/dbraw/zinc/09/03/86/950090386.db2.gz NHRLBWKONXATII-YMTOWFKASA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574492636 950096404 /nfs/dbraw/zinc/09/64/04/950096404.db2.gz NWKPIPGBFCXPCC-KBPBESRZSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cc(F)c[nH]2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576183758 950101403 /nfs/dbraw/zinc/10/14/03/950101403.db2.gz ULDBLWQDUIGODV-ZWNOBZJWSA-N -1 1 385.407 1.477 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cc(F)c[nH]2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576183758 950101412 /nfs/dbraw/zinc/10/14/12/950101412.db2.gz ULDBLWQDUIGODV-ZWNOBZJWSA-N -1 1 385.407 1.477 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](C)N(C)c1cncc(-c2nnn[n-]2)n1)c1ccncc1 ZINC001574492892 950106529 /nfs/dbraw/zinc/10/65/29/950106529.db2.gz DNXHTNHWFFPGOG-CHWSQXEVSA-N -1 1 381.444 1.186 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](C)N(C)c1cncc(-c2nn[n-]n2)n1)c1ccncc1 ZINC001574492892 950106538 /nfs/dbraw/zinc/10/65/38/950106538.db2.gz DNXHTNHWFFPGOG-CHWSQXEVSA-N -1 1 381.444 1.186 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C1CCCCC1 ZINC001574492961 950107256 /nfs/dbraw/zinc/10/72/56/950107256.db2.gz PUJCSEZTGIJDEX-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cncs2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576183965 950110033 /nfs/dbraw/zinc/11/00/33/950110033.db2.gz ULYDDBCEVDGYET-QWRGUYRKSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cncs2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576183965 950110041 /nfs/dbraw/zinc/11/00/41/950110041.db2.gz ULYDDBCEVDGYET-QWRGUYRKSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H]1CCN(C(=O)C2C=CC=CC=C2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576183938 950110525 /nfs/dbraw/zinc/11/05/25/950110525.db2.gz SHWAVNLRJVGCQE-GOEBONIOSA-N -1 1 392.467 1.274 20 0 GDADMM CC(C)(C)CC(C)(C)C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001573838425 950113152 /nfs/dbraw/zinc/11/31/52/950113152.db2.gz DAAXSWBJTBRPPN-CYBMUJFWSA-N -1 1 386.504 1.944 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccc[nH]2)[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576184056 950114236 /nfs/dbraw/zinc/11/42/36/950114236.db2.gz VNPOPCOGGVOWRA-JSGCOSHPSA-N -1 1 381.444 1.150 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cc[nH]c2)[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576184389 950127636 /nfs/dbraw/zinc/12/76/36/950127636.db2.gz WHEYHXRSOAPLKP-DOMZBBRYSA-N -1 1 381.444 1.728 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cc[nH]c2)[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576184389 950127646 /nfs/dbraw/zinc/12/76/46/950127646.db2.gz WHEYHXRSOAPLKP-DOMZBBRYSA-N -1 1 381.444 1.728 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2)C1CC1 ZINC001574494181 950154358 /nfs/dbraw/zinc/15/43/58/950154358.db2.gz XTCQXZRBKOADKH-IUODEOHRSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2)C1CC1 ZINC001574494181 950154371 /nfs/dbraw/zinc/15/43/71/950154371.db2.gz XTCQXZRBKOADKH-IUODEOHRSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccsc2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576190531 950162283 /nfs/dbraw/zinc/16/22/83/950162283.db2.gz AIUPMHQLANMWRE-WCQYABFASA-N -1 1 384.469 1.929 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccsc2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576190531 950162300 /nfs/dbraw/zinc/16/23/00/950162300.db2.gz AIUPMHQLANMWRE-WCQYABFASA-N -1 1 384.469 1.929 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H]1CCCOCC1 ZINC001574154091 950165514 /nfs/dbraw/zinc/16/55/14/950165514.db2.gz BDRZSEGGHHOGJZ-KGLIPLIRSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H]1CCCOCC1 ZINC001574154091 950165528 /nfs/dbraw/zinc/16/55/28/950165528.db2.gz BDRZSEGGHHOGJZ-KGLIPLIRSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@H](CC(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1)[C@H]1CCCO1 ZINC001574494573 950170025 /nfs/dbraw/zinc/17/00/25/950170025.db2.gz LMIPINALJPTJQQ-BXUZGUMPSA-N -1 1 376.486 1.434 20 0 GDADMM CC(C)[C@H](CNC(=O)C[C@H](C)c1ccco1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574494874 950189087 /nfs/dbraw/zinc/18/90/87/950189087.db2.gz PNYQGGSMLXLTKL-STQMWFEESA-N -1 1 384.444 1.996 20 0 GDADMM CC(C)[C@H](CNC(=O)C[C@H](C)c1ccco1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574494874 950189098 /nfs/dbraw/zinc/18/90/98/950189098.db2.gz PNYQGGSMLXLTKL-STQMWFEESA-N -1 1 384.444 1.996 20 0 GDADMM C[C@@]1(C(=O)NC[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)CC=CCC1 ZINC001575585455 950194753 /nfs/dbraw/zinc/19/47/53/950194753.db2.gz ZNHUGTGEZXXZAQ-IFXJQAMLSA-N -1 1 382.472 1.736 20 0 GDADMM C[C@@]1(C(=O)NC[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)CC=CCC1 ZINC001575585455 950194762 /nfs/dbraw/zinc/19/47/62/950194762.db2.gz ZNHUGTGEZXXZAQ-IFXJQAMLSA-N -1 1 382.472 1.736 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CCC(F)(F)F ZINC001574155815 950213396 /nfs/dbraw/zinc/21/33/96/950213396.db2.gz RULCBBDRAKOKHW-SNVBAGLBSA-N -1 1 386.382 1.942 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CCC(F)(F)F ZINC001574155815 950213406 /nfs/dbraw/zinc/21/34/06/950213406.db2.gz RULCBBDRAKOKHW-SNVBAGLBSA-N -1 1 386.382 1.942 20 0 GDADMM C[C@H](CN(C)C(=O)c1[nH]cnc1C(C)(C)C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574740005 950218438 /nfs/dbraw/zinc/21/84/38/950218438.db2.gz AVVFADQDKIOCQR-SNVBAGLBSA-N -1 1 384.448 1.250 20 0 GDADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001574157485 950236917 /nfs/dbraw/zinc/23/69/17/950236917.db2.gz BZLXKJXPRYEYPO-MGPQQGTHSA-N -1 1 386.504 1.704 20 0 GDADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cccc(F)c1 ZINC001574157709 950248833 /nfs/dbraw/zinc/24/88/33/950248833.db2.gz HCZVDEQRYMTSQG-AWEZNQCLSA-N -1 1 384.419 1.474 20 0 GDADMM C[C@H](CN(C)C(=O)c1c(F)cc(F)cc1F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574741569 950251197 /nfs/dbraw/zinc/25/11/97/950251197.db2.gz JHQDOQCUBNYWEF-MRVPVSSYSA-N -1 1 392.345 1.647 20 0 GDADMM C[C@H](CN(C)C(=O)c1c(F)cc(F)cc1F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574741569 950251208 /nfs/dbraw/zinc/25/12/08/950251208.db2.gz JHQDOQCUBNYWEF-MRVPVSSYSA-N -1 1 392.345 1.647 20 0 GDADMM C[C@@H](CN(C)C(=O)c1c(F)cc(F)cc1F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574741673 950252710 /nfs/dbraw/zinc/25/27/10/950252710.db2.gz KNPGCHDHJPLBJR-QMMMGPOBSA-N -1 1 392.345 1.647 20 0 GDADMM C[C@@H](CN(C)C(=O)c1c(F)cc(F)cc1F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574741673 950252729 /nfs/dbraw/zinc/25/27/29/950252729.db2.gz KNPGCHDHJPLBJR-QMMMGPOBSA-N -1 1 392.345 1.647 20 0 GDADMM CC(C)(C)OC(=O)[C@@]1(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)CC=CCC1 ZINC001573850557 950274602 /nfs/dbraw/zinc/27/46/02/950274602.db2.gz KUVHIVNGADMIDW-IBGZPJMESA-N -1 1 384.440 1.946 20 0 GDADMM CC(C)(C)OC(=O)[C@@]1(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)CC=CCC1 ZINC001573850557 950274623 /nfs/dbraw/zinc/27/46/23/950274623.db2.gz KUVHIVNGADMIDW-IBGZPJMESA-N -1 1 384.440 1.946 20 0 GDADMM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)Cc1ccsc1 ZINC001574158328 950278288 /nfs/dbraw/zinc/27/82/88/950278288.db2.gz QWHVFUNNVPRCGE-ZDUSSCGKSA-N -1 1 386.485 1.326 20 0 GDADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ccc(F)cc1 ZINC001574158276 950278611 /nfs/dbraw/zinc/27/86/11/950278611.db2.gz QDOIVMYCIFCKDK-CQSZACIVSA-N -1 1 384.419 1.474 20 0 GDADMM C[C@H]1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576193485 950301878 /nfs/dbraw/zinc/30/18/78/950301878.db2.gz VIWYVUMKAIHNLI-AHDPXTMNSA-N -1 1 382.472 1.599 20 0 GDADMM C[C@H]1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576193485 950301903 /nfs/dbraw/zinc/30/19/03/950301903.db2.gz VIWYVUMKAIHNLI-AHDPXTMNSA-N -1 1 382.472 1.599 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)Cc1cccnc1 ZINC001574159313 950302857 /nfs/dbraw/zinc/30/28/57/950302857.db2.gz WEODITKXDMCIGT-AWEZNQCLSA-N -1 1 381.444 1.237 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)Cc1cccnc1 ZINC001574159313 950302883 /nfs/dbraw/zinc/30/28/83/950302883.db2.gz WEODITKXDMCIGT-AWEZNQCLSA-N -1 1 381.444 1.237 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)COC(C)(C)C ZINC001574159755 950318691 /nfs/dbraw/zinc/31/86/91/950318691.db2.gz IIEJYUOIMUYVNA-GFCCVEGCSA-N -1 1 376.465 1.415 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)COC(C)(C)C ZINC001574159755 950318719 /nfs/dbraw/zinc/31/87/19/950318719.db2.gz IIEJYUOIMUYVNA-GFCCVEGCSA-N -1 1 376.465 1.415 20 0 GDADMM CC1(C(=O)NCCC2(CNc3nccnc3-c3nnn[n-]3)CC2)CCOCC1 ZINC001575594478 950330285 /nfs/dbraw/zinc/33/02/85/950330285.db2.gz KGQMXNOUIPJLDF-UHFFFAOYSA-N -1 1 386.460 1.172 20 0 GDADMM CC1(C(=O)NCCC2(CNc3nccnc3-c3nn[n-]n3)CC2)CCOCC1 ZINC001575594478 950330305 /nfs/dbraw/zinc/33/03/05/950330305.db2.gz KGQMXNOUIPJLDF-UHFFFAOYSA-N -1 1 386.460 1.172 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H](C)n1cccn1 ZINC001574161759 950365896 /nfs/dbraw/zinc/36/58/96/950365896.db2.gz WRRGUPDGNCXVOZ-OLZOCXBDSA-N -1 1 384.448 1.057 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)n1cccn1 ZINC001574161759 950365921 /nfs/dbraw/zinc/36/59/21/950365921.db2.gz WRRGUPDGNCXVOZ-OLZOCXBDSA-N -1 1 384.448 1.057 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc(C(C)(C)C)n[nH]1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574745732 950385561 /nfs/dbraw/zinc/38/55/61/950385561.db2.gz JWUOVISCIRUXSG-JTQLQIEISA-N -1 1 384.448 1.250 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1ccncc1F ZINC001574162555 950387865 /nfs/dbraw/zinc/38/78/65/950387865.db2.gz CWRUILYWOSPGIK-NSHDSACASA-N -1 1 385.407 1.447 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)c1ccncc1F ZINC001574162555 950387888 /nfs/dbraw/zinc/38/78/88/950387888.db2.gz CWRUILYWOSPGIK-NSHDSACASA-N -1 1 385.407 1.447 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc(C(C)(C)C)on1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574746333 950396862 /nfs/dbraw/zinc/39/68/62/950396862.db2.gz NPNXDCQAHXYUQV-JTQLQIEISA-N -1 1 385.432 1.515 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc(C(C)(C)C)on1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574746333 950396883 /nfs/dbraw/zinc/39/68/83/950396883.db2.gz NPNXDCQAHXYUQV-JTQLQIEISA-N -1 1 385.432 1.515 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccccc1 ZINC001574503486 950414035 /nfs/dbraw/zinc/41/40/35/950414035.db2.gz XDLGOWFPZDUXSK-GJZGRUSLSA-N -1 1 392.467 1.793 20 0 GDADMM C[C@@H](CC(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccccc1 ZINC001574503486 950414047 /nfs/dbraw/zinc/41/40/47/950414047.db2.gz XDLGOWFPZDUXSK-GJZGRUSLSA-N -1 1 392.467 1.793 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)c1ccco1 ZINC001574503477 950414481 /nfs/dbraw/zinc/41/44/81/950414481.db2.gz XCNKKMAVFUHRNR-CHWSQXEVSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)c1ccco1 ZINC001574503477 950414497 /nfs/dbraw/zinc/41/44/97/950414497.db2.gz XCNKKMAVFUHRNR-CHWSQXEVSA-N -1 1 382.428 1.529 20 0 GDADMM CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)Nc2cccc(-c3nnn[n-]3)n2)C1 ZINC001573860344 950422194 /nfs/dbraw/zinc/42/21/94/950422194.db2.gz GRAIKGZCUDSYTF-XYPYZODXSA-N -1 1 388.432 1.687 20 0 GDADMM CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)Nc2cccc(-c3nn[n-]n3)n2)C1 ZINC001573860344 950422205 /nfs/dbraw/zinc/42/22/05/950422205.db2.gz GRAIKGZCUDSYTF-XYPYZODXSA-N -1 1 388.432 1.687 20 0 GDADMM CC(C)CC1(C(=O)N[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)CCC1 ZINC001574165279 950442627 /nfs/dbraw/zinc/44/26/27/950442627.db2.gz CATILIUNJSSYLT-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CC1(C(=O)N[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)CCC1 ZINC001574165279 950442644 /nfs/dbraw/zinc/44/26/44/950442644.db2.gz CATILIUNJSSYLT-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C)OCC(=O)N1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)CC1 ZINC001573866408 950500071 /nfs/dbraw/zinc/50/00/71/950500071.db2.gz BAQNYPJXZGEIBH-UHFFFAOYSA-N -1 1 385.881 1.440 20 0 GDADMM CC(C)(C)OCC(=O)N1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)CC1 ZINC001573866408 950500086 /nfs/dbraw/zinc/50/00/86/950500086.db2.gz BAQNYPJXZGEIBH-UHFFFAOYSA-N -1 1 385.881 1.440 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001574509498 950510323 /nfs/dbraw/zinc/51/03/23/950510323.db2.gz VQYYTHUPXCESMZ-MCIONIFRSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574509498 950510336 /nfs/dbraw/zinc/51/03/36/950510336.db2.gz VQYYTHUPXCESMZ-MCIONIFRSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](CC(=O)NCCNc1nc(-c2nn[n-]n2)c(Cl)s1)n1cccc1 ZINC001574509354 950511455 /nfs/dbraw/zinc/51/14/55/950511455.db2.gz RMBWKIMRPDTGTM-VIFPVBQESA-N -1 1 380.865 1.958 20 0 GDADMM C[C@]1(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CCc2ccccc21 ZINC001575609195 950520097 /nfs/dbraw/zinc/52/00/97/950520097.db2.gz VISMOJCRGVVDEA-MNVSYLFESA-N -1 1 390.451 1.620 20 0 GDADMM C[C@]1(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CCc2ccccc21 ZINC001575609195 950520118 /nfs/dbraw/zinc/52/01/18/950520118.db2.gz VISMOJCRGVVDEA-MNVSYLFESA-N -1 1 390.451 1.620 20 0 GDADMM CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nnn[n-]3)n2)CC(F)(F)C1 ZINC001575614539 950536723 /nfs/dbraw/zinc/53/67/23/950536723.db2.gz HHRALDOGWYJJKR-SCVCMEIPSA-N -1 1 390.398 1.318 20 0 GDADMM CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nn[n-]n3)n2)CC(F)(F)C1 ZINC001575614539 950536741 /nfs/dbraw/zinc/53/67/41/950536741.db2.gz HHRALDOGWYJJKR-SCVCMEIPSA-N -1 1 390.398 1.318 20 0 GDADMM CC1(C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)CCCCCC1 ZINC001575614538 950536840 /nfs/dbraw/zinc/53/68/40/950536840.db2.gz HFSYOBACZRDNQQ-VIKVFOODSA-N -1 1 382.472 1.568 20 0 GDADMM CC1(C(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)CCCCCC1 ZINC001575614538 950536855 /nfs/dbraw/zinc/53/68/55/950536855.db2.gz HFSYOBACZRDNQQ-VIKVFOODSA-N -1 1 382.472 1.568 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C(C)(C)C ZINC001573868202 950539230 /nfs/dbraw/zinc/53/92/30/950539230.db2.gz AHJQDAQSNFPJPG-LBPRGKRZSA-N -1 1 376.465 1.415 20 0 GDADMM CC(C)(C)OCC(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C(C)(C)C ZINC001573868202 950539249 /nfs/dbraw/zinc/53/92/49/950539249.db2.gz AHJQDAQSNFPJPG-LBPRGKRZSA-N -1 1 376.465 1.415 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C)c1ccccc1 ZINC001574511632 950563949 /nfs/dbraw/zinc/56/39/49/950563949.db2.gz PEMRBOATSLOVSM-SQWLQELKSA-N -1 1 392.467 1.791 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)ccc1F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574999408 950578495 /nfs/dbraw/zinc/57/84/95/950578495.db2.gz JBZRIMJIEZKTQR-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)ccc1F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574999408 950578511 /nfs/dbraw/zinc/57/85/11/950578511.db2.gz JBZRIMJIEZKTQR-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM CC(C)CCC(=O)N1CCC[C@@H]2CN(c3nccnc3-c3nnn[n-]3)CC[C@H]21 ZINC001574172789 950582071 /nfs/dbraw/zinc/58/20/71/950582071.db2.gz BODDMDMPMORIHM-HUUCEWRRSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CCC(=O)N1CCC[C@@H]2CN(c3nccnc3-c3nn[n-]n3)CC[C@H]21 ZINC001574172789 950582095 /nfs/dbraw/zinc/58/20/95/950582095.db2.gz BODDMDMPMORIHM-HUUCEWRRSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)cn1C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574999499 950586092 /nfs/dbraw/zinc/58/60/92/950586092.db2.gz KSLKTINFJPDUHU-SECBINFHSA-N -1 1 375.824 1.127 20 0 GDADMM C[C@@H](CNC(=O)c1cc(Cl)cn1C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574999499 950586115 /nfs/dbraw/zinc/58/61/15/950586115.db2.gz KSLKTINFJPDUHU-SECBINFHSA-N -1 1 375.824 1.127 20 0 GDADMM CC(C)n1cc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@H]2C)cn1 ZINC001575918430 950590681 /nfs/dbraw/zinc/59/06/81/950590681.db2.gz BVUZCEGLZTUJSD-DGCLKSJQSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1cc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@H]2C)cn1 ZINC001575918430 950590703 /nfs/dbraw/zinc/59/07/03/950590703.db2.gz BVUZCEGLZTUJSD-DGCLKSJQSA-N -1 1 382.432 1.149 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1C)C(F)(F)F ZINC001574512843 950591930 /nfs/dbraw/zinc/59/19/30/950591930.db2.gz DRCRZEIFUNRWJW-BBBLOLIVSA-N -1 1 384.366 1.329 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H]1C)c1ccccc1 ZINC001574513190 950595365 /nfs/dbraw/zinc/59/53/65/950595365.db2.gz JEYXGNRNIJGFNY-FMKPAKJESA-N -1 1 392.467 1.934 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H]1C)c1ccccc1 ZINC001574513190 950595385 /nfs/dbraw/zinc/59/53/85/950595385.db2.gz JEYXGNRNIJGFNY-FMKPAKJESA-N -1 1 392.467 1.934 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1coc(C2CC2)n1 ZINC001575919130 950608653 /nfs/dbraw/zinc/60/86/53/950608653.db2.gz GLLGQOLQXKMMRR-GXSJLCMTSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1coc(C2CC2)n1 ZINC001575919130 950608669 /nfs/dbraw/zinc/60/86/69/950608669.db2.gz GLLGQOLQXKMMRR-GXSJLCMTSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)ccc1Cl)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575000817 950614759 /nfs/dbraw/zinc/61/47/59/950614759.db2.gz GBIWSOOPPQXQRP-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)ccc1Cl)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575000817 950614775 /nfs/dbraw/zinc/61/47/75/950614775.db2.gz GBIWSOOPPQXQRP-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM CC(C)(C)OCC(=O)NCCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573871729 950624368 /nfs/dbraw/zinc/62/43/68/950624368.db2.gz UUWAVDKPWRCPSR-UHFFFAOYSA-N -1 1 388.476 1.195 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)C1CCC(C)(C)CC1 ZINC001575920278 950633985 /nfs/dbraw/zinc/63/39/85/950633985.db2.gz MDSMKFHKHSXPIK-OCCSQVGLSA-N -1 1 384.488 1.696 20 0 GDADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1coc(C(F)F)c1 ZINC001575921329 950636564 /nfs/dbraw/zinc/63/65/64/950636564.db2.gz NKGWVAHWSNRRCJ-WCBMZHEXSA-N -1 1 390.354 1.324 20 0 GDADMM CC1(C)C2CCC1(C(=O)N1CCN(c3ccnc(-c4nn[n-]n4)n3)CC1)CC2 ZINC001575622665 950643980 /nfs/dbraw/zinc/64/39/80/950643980.db2.gz FULQJLUHGKTVIE-UHFFFAOYSA-N -1 1 382.472 1.522 20 0 GDADMM CCN1CCN(c2ccc(CNC(=O)Nc3ccnc(C(=O)[O-])c3)cn2)CC1 ZINC001589744360 950649080 /nfs/dbraw/zinc/64/90/80/950649080.db2.gz KPIHCCWHKUTFQV-UHFFFAOYSA-N -1 1 384.440 1.638 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574518687 950657025 /nfs/dbraw/zinc/65/70/25/950657025.db2.gz PQXIFAQJDPPMES-AEGPPILISA-N -1 1 378.440 1.332 20 0 GDADMM C[C@@H](CNC(=O)c1cc2c([nH]1)CCCC2)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575003230 950675933 /nfs/dbraw/zinc/67/59/33/950675933.db2.gz ZRYUYRCKBAAHQS-LLVKDONJSA-N -1 1 381.444 1.342 20 0 GDADMM C[C@@H](CNC(=O)c1cc2c([nH]1)CCCC2)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575003230 950675949 /nfs/dbraw/zinc/67/59/49/950675949.db2.gz ZRYUYRCKBAAHQS-LLVKDONJSA-N -1 1 381.444 1.342 20 0 GDADMM C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc2[nH]ccc2c1 ZINC001575925393 950684814 /nfs/dbraw/zinc/68/48/14/950684814.db2.gz URNAWGXBRSODIO-SMDDNHRTSA-N -1 1 389.423 1.275 20 0 GDADMM C[C@@H](CNC(=O)c1cc2c(s1)CCCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575005470 950685452 /nfs/dbraw/zinc/68/54/52/950685452.db2.gz FXEPTLDAZMBBLO-JTQLQIEISA-N -1 1 384.469 1.249 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001573877780 950695910 /nfs/dbraw/zinc/69/59/10/950695910.db2.gz GBQRLDRBUFSFBT-CHWSQXEVSA-N -1 1 384.488 1.602 20 0 GDADMM CC1(C)CC(C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2nccnc2-c2nnn[n-]2)C1 ZINC001575625819 950697109 /nfs/dbraw/zinc/69/71/09/950697109.db2.gz XFNMJSAGYHHSAC-KGLIPLIRSA-N -1 1 382.472 1.663 20 0 GDADMM CC1(C)CC(C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2nccnc2-c2nn[n-]n2)C1 ZINC001575625819 950697131 /nfs/dbraw/zinc/69/71/31/950697131.db2.gz XFNMJSAGYHHSAC-KGLIPLIRSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccncn1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574761639 950701500 /nfs/dbraw/zinc/70/15/00/950701500.db2.gz UNGZHLAZGYSFDM-SSDOTTSWSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCCC(F)(F)F ZINC001575926470 950710433 /nfs/dbraw/zinc/71/04/33/950710433.db2.gz KHDPCZCYXCMHLW-VHSXEESVSA-N -1 1 384.366 1.791 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCCC(F)(F)F ZINC001575926470 950710458 /nfs/dbraw/zinc/71/04/58/950710458.db2.gz KHDPCZCYXCMHLW-VHSXEESVSA-N -1 1 384.366 1.791 20 0 GDADMM C[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC001576216099 950722672 /nfs/dbraw/zinc/72/26/72/950722672.db2.gz YOTARESOSCSCFJ-CHWSQXEVSA-N -1 1 384.444 1.840 20 0 GDADMM C[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC001576216099 950722689 /nfs/dbraw/zinc/72/26/89/950722689.db2.gz YOTARESOSCSCFJ-CHWSQXEVSA-N -1 1 384.444 1.840 20 0 GDADMM C[C@H](CN(C)C(=O)c1cnns1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574763855 950733439 /nfs/dbraw/zinc/73/34/39/950733439.db2.gz MJTPCIPKCYVQOE-RXMQYKEDSA-N -1 1 385.866 1.401 20 0 GDADMM C[C@H](CN(C)C(=O)c1cnns1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574763855 950733452 /nfs/dbraw/zinc/73/34/52/950733452.db2.gz MJTPCIPKCYVQOE-RXMQYKEDSA-N -1 1 385.866 1.401 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cnns1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574763856 950735278 /nfs/dbraw/zinc/73/52/78/950735278.db2.gz MJTPCIPKCYVQOE-YFKPBYRVSA-N -1 1 385.866 1.401 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cnns1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574763856 950735286 /nfs/dbraw/zinc/73/52/86/950735286.db2.gz MJTPCIPKCYVQOE-YFKPBYRVSA-N -1 1 385.866 1.401 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cc2c([nH]1)CCC2 ZINC001575927321 950740802 /nfs/dbraw/zinc/74/08/02/950740802.db2.gz PAJYICPBSARIIB-ZYHUDNBSSA-N -1 1 379.428 1.189 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cc2c([nH]1)CCC2 ZINC001575927321 950740819 /nfs/dbraw/zinc/74/08/19/950740819.db2.gz PAJYICPBSARIIB-ZYHUDNBSSA-N -1 1 379.428 1.189 20 0 GDADMM CC1(C)CC(C(=O)NC[C@@H]2CCCCCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575629724 950744345 /nfs/dbraw/zinc/74/43/45/950744345.db2.gz RJWRWVJBPQIMFF-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)CC(C(=O)NCCC2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001575630759 950766706 /nfs/dbraw/zinc/76/67/06/950766706.db2.gz HGYNJGLYRQLUEF-UHFFFAOYSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C)CC(C(=O)NCCC2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001575630759 950766722 /nfs/dbraw/zinc/76/67/22/950766722.db2.gz HGYNJGLYRQLUEF-UHFFFAOYSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)CC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576217793 950775081 /nfs/dbraw/zinc/77/50/81/950775081.db2.gz JKOHSZHZBXUPKL-GHMZBOCLSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(F)F)CCC2)CC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576217793 950775099 /nfs/dbraw/zinc/77/50/99/950775099.db2.gz JKOHSZHZBXUPKL-GHMZBOCLSA-N -1 1 392.414 1.741 20 0 GDADMM CC1(C)CC(CC(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]32)C1 ZINC001575632318 950795737 /nfs/dbraw/zinc/79/57/37/950795737.db2.gz HHQNYJDEUYEFRL-ZSOGYDGISA-N -1 1 382.472 1.281 20 0 GDADMM CC1(C)CC(CC(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]32)C1 ZINC001575632318 950795753 /nfs/dbraw/zinc/79/57/53/950795753.db2.gz HHQNYJDEUYEFRL-ZSOGYDGISA-N -1 1 382.472 1.281 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576218554 950796473 /nfs/dbraw/zinc/79/64/73/950796473.db2.gz MMJATDVDYPJCQN-MNOVXSKESA-N -1 1 392.414 1.020 20 0 GDADMM C[C@H](CN(C)C(=O)c1n[nH]cc1F)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574765700 950797000 /nfs/dbraw/zinc/79/70/00/950797000.db2.gz JRECPXCJWXHNKV-RXMQYKEDSA-N -1 1 385.816 1.411 20 0 GDADMM C[C@H](CN(C)C(=O)c1n[nH]cc1F)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574765700 950797012 /nfs/dbraw/zinc/79/70/12/950797012.db2.gz JRECPXCJWXHNKV-RXMQYKEDSA-N -1 1 385.816 1.411 20 0 GDADMM CC(C)c1nc(C(=O)N(C)C[C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)cs1 ZINC001574765613 950797982 /nfs/dbraw/zinc/79/79/82/950797982.db2.gz IOFXPGMGVVADGT-SNVBAGLBSA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)c1nc(C(=O)N(C)C[C@@H](C)Nc2cnc(-c3nn[n-]n3)cn2)cs1 ZINC001574765613 950797994 /nfs/dbraw/zinc/79/79/94/950797994.db2.gz IOFXPGMGVVADGT-SNVBAGLBSA-N -1 1 387.473 1.809 20 0 GDADMM C[C@H]1[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCN1C(=O)c1ncccn1 ZINC001575931095 950803569 /nfs/dbraw/zinc/80/35/69/950803569.db2.gz GTZMIBQFBAJFMP-JGVFFNPUSA-N -1 1 391.848 1.482 20 0 GDADMM CC(C)CCCC(=O)N1CC[C@@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001574186290 950805834 /nfs/dbraw/zinc/80/58/34/950805834.db2.gz BJKWFANYAPBQDL-LJQANCHMSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)CCCC(=O)N1CC[C@@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001574186290 950805860 /nfs/dbraw/zinc/80/58/60/950805860.db2.gz BJKWFANYAPBQDL-LJQANCHMSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@H](CN(C)C(=O)c1cscc1Cl)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574766126 950809255 /nfs/dbraw/zinc/80/92/55/950809255.db2.gz KBIXAANNKHLBQR-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CN(C)C(=O)c1cscc1Cl)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574766126 950809267 /nfs/dbraw/zinc/80/92/67/950809267.db2.gz KBIXAANNKHLBQR-MRVPVSSYSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CN(C)C(=O)c1noc2c1CCCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574766347 950817441 /nfs/dbraw/zinc/81/74/41/950817441.db2.gz ISHNPUAUCVPZBA-JTQLQIEISA-N -1 1 383.416 1.096 20 0 GDADMM C[C@@H](CN(C)C(=O)c1noc2c1CCCC2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574766347 950817453 /nfs/dbraw/zinc/81/74/53/950817453.db2.gz ISHNPUAUCVPZBA-JTQLQIEISA-N -1 1 383.416 1.096 20 0 GDADMM CC(C)CCCC(=O)N1CCC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001574186665 950818009 /nfs/dbraw/zinc/81/80/09/950818009.db2.gz HWAYWAQZMHJABQ-GOEBONIOSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CCCC(=O)N1CCC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001574186665 950818029 /nfs/dbraw/zinc/81/80/29/950818029.db2.gz HWAYWAQZMHJABQ-GOEBONIOSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)n1nccc1C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)[C@H]1C ZINC001575932240 950824106 /nfs/dbraw/zinc/82/41/06/950824106.db2.gz LAUFZKOFJMSBJS-NEPJUHHUSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1nccc1C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)[C@H]1C ZINC001575932240 950824130 /nfs/dbraw/zinc/82/41/30/950824130.db2.gz LAUFZKOFJMSBJS-NEPJUHHUSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)(C)c1n[nH]cc1C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573885444 950824679 /nfs/dbraw/zinc/82/46/79/950824679.db2.gz XAYQPRSYKDXVDC-JTQLQIEISA-N -1 1 382.432 1.004 20 0 GDADMM CC(C)(C)c1n[nH]cc1C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573885444 950824700 /nfs/dbraw/zinc/82/47/00/950824700.db2.gz XAYQPRSYKDXVDC-JTQLQIEISA-N -1 1 382.432 1.004 20 0 GDADMM CC1(C)C[C@H](NC(=O)[C@@H]2CC2(F)F)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575638560 950840455 /nfs/dbraw/zinc/84/04/55/950840455.db2.gz HTCZOUHGUYDTHR-MNOVXSKESA-N -1 1 392.414 1.423 20 0 GDADMM CC1(C)C[C@H](NC(=O)[C@@H]2CC2(F)F)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575638560 950840480 /nfs/dbraw/zinc/84/04/80/950840480.db2.gz HTCZOUHGUYDTHR-MNOVXSKESA-N -1 1 392.414 1.423 20 0 GDADMM CC(C)(C)c1ocnc1C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573887881 950852637 /nfs/dbraw/zinc/85/26/37/950852637.db2.gz LMLWGKDECWZOSY-JTQLQIEISA-N -1 1 383.416 1.269 20 0 GDADMM CC(C)(C)c1ocnc1C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573887881 950852661 /nfs/dbraw/zinc/85/26/61/950852661.db2.gz LMLWGKDECWZOSY-JTQLQIEISA-N -1 1 383.416 1.269 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cc(Cl)cn1C ZINC001575934468 950856973 /nfs/dbraw/zinc/85/69/73/950856973.db2.gz RTJCKDJDNGKHQU-GXSJLCMTSA-N -1 1 387.835 1.364 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cc(Cl)cn1C ZINC001575934468 950856991 /nfs/dbraw/zinc/85/69/91/950856991.db2.gz RTJCKDJDNGKHQU-GXSJLCMTSA-N -1 1 387.835 1.364 20 0 GDADMM CC(C)CCCC(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@@]2(C)C1 ZINC001574189196 950872018 /nfs/dbraw/zinc/87/20/18/950872018.db2.gz FDGBEDRLFPHSDD-KUHUBIRLSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)CCCC(=O)N1C[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@@]2(C)C1 ZINC001574189196 950872029 /nfs/dbraw/zinc/87/20/29/950872029.db2.gz FDGBEDRLFPHSDD-KUHUBIRLSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1cccc2c1OCC2 ZINC001575935135 950874408 /nfs/dbraw/zinc/87/44/08/950874408.db2.gz VNSOAXZTLWOWKZ-BXUZGUMPSA-N -1 1 392.423 1.307 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1cccc2c1OCC2 ZINC001575935135 950874427 /nfs/dbraw/zinc/87/44/27/950874427.db2.gz VNSOAXZTLWOWKZ-BXUZGUMPSA-N -1 1 392.423 1.307 20 0 GDADMM CC(C)CCCC(=O)N[C@@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001574189337 950875154 /nfs/dbraw/zinc/87/51/54/950875154.db2.gz IVGDKMDXNWSJQW-OAHLLOKOSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CCCC(=O)N[C@@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001574189337 950875170 /nfs/dbraw/zinc/87/51/70/950875170.db2.gz IVGDKMDXNWSJQW-OAHLLOKOSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)C[C@@H](NC(=O)[C@H]2CC23CC3)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575639662 950881860 /nfs/dbraw/zinc/88/18/60/950881860.db2.gz VQNCERFLWJQIMI-QWHCGFSZSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H]1CN(C(=O)C2CC3(CC3)C2)CC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576226906 950895960 /nfs/dbraw/zinc/89/59/60/950895960.db2.gz CXASWSGYJFUGHZ-CHWSQXEVSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@@H]1CN(C(=O)C2CC3(CC3)C2)CC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576226906 950895969 /nfs/dbraw/zinc/89/59/69/950895969.db2.gz CXASWSGYJFUGHZ-CHWSQXEVSA-N -1 1 382.472 1.743 20 0 GDADMM CC(C)c1nnsc1C(=O)N(C)C[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574769113 950908776 /nfs/dbraw/zinc/90/87/76/950908776.db2.gz ZRTJZMQJXWFSGD-VIFPVBQESA-N -1 1 388.461 1.204 20 0 GDADMM CC(C)c1nnsc1C(=O)N(C)C[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574769113 950908786 /nfs/dbraw/zinc/90/87/86/950908786.db2.gz ZRTJZMQJXWFSGD-VIFPVBQESA-N -1 1 388.461 1.204 20 0 GDADMM C[C@@H]1CN(C(=O)C2(F)CCCCC2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576227495 950912298 /nfs/dbraw/zinc/91/22/98/950912298.db2.gz DEQALGFFKKRONF-OLZOCXBDSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@@H]1CN(C(=O)C2(F)CCCCC2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576227495 950912310 /nfs/dbraw/zinc/91/23/10/950912310.db2.gz DEQALGFFKKRONF-OLZOCXBDSA-N -1 1 388.451 1.836 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)c1nc(Cl)cs1 ZINC001575936494 950915626 /nfs/dbraw/zinc/91/56/26/950915626.db2.gz FQIQSFLIDBXAJR-JGVFFNPUSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)c1nc(Cl)cs1 ZINC001575936494 950915649 /nfs/dbraw/zinc/91/56/49/950915649.db2.gz FQIQSFLIDBXAJR-JGVFFNPUSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCc1cscn1 ZINC001575936498 950916720 /nfs/dbraw/zinc/91/67/20/950916720.db2.gz FQLYKQAYOKUMST-JQWIXIFHSA-N -1 1 385.457 1.147 20 0 GDADMM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCc1cscn1 ZINC001575936498 950916735 /nfs/dbraw/zinc/91/67/35/950916735.db2.gz FQLYKQAYOKUMST-JQWIXIFHSA-N -1 1 385.457 1.147 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCCn1cccc1 ZINC001575936741 950926285 /nfs/dbraw/zinc/92/62/85/950926285.db2.gz HYJQYEDLHHTKTQ-UONOGXRCSA-N -1 1 381.444 1.340 20 0 GDADMM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCCn1cccc1 ZINC001575936741 950926296 /nfs/dbraw/zinc/92/62/96/950926296.db2.gz HYJQYEDLHHTKTQ-UONOGXRCSA-N -1 1 381.444 1.340 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001573895660 950941961 /nfs/dbraw/zinc/94/19/61/950941961.db2.gz DVQSHNUZYJKSSL-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001573895660 950941970 /nfs/dbraw/zinc/94/19/70/950941970.db2.gz DVQSHNUZYJKSSL-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)COC1CCCCC1 ZINC001575937722 950954365 /nfs/dbraw/zinc/95/43/65/950954365.db2.gz LKUXKOFRCVIUCW-TZMCWYRMSA-N -1 1 386.460 1.407 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)COC1CCCCC1 ZINC001575937722 950954375 /nfs/dbraw/zinc/95/43/75/950954375.db2.gz LKUXKOFRCVIUCW-TZMCWYRMSA-N -1 1 386.460 1.407 20 0 GDADMM C[C@@H]1C[C@H](C(=O)N(C)CC(C)(C)CNc2cncc(-c3nnn[n-]3)n2)CCO1 ZINC001575937788 950961247 /nfs/dbraw/zinc/96/12/47/950961247.db2.gz HDDWQPKJFAMPIR-CHWSQXEVSA-N -1 1 388.476 1.368 20 0 GDADMM C[C@@H]1C[C@H](C(=O)N(C)CC(C)(C)CNc2cncc(-c3nn[n-]n3)n2)CCO1 ZINC001575937788 950961267 /nfs/dbraw/zinc/96/12/67/950961267.db2.gz HDDWQPKJFAMPIR-CHWSQXEVSA-N -1 1 388.476 1.368 20 0 GDADMM CC1(C)C[C@H]1C(=O)N1CC[C@]2(C1)CCCN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001575643307 950965338 /nfs/dbraw/zinc/96/53/38/950965338.db2.gz LFJJQGMBDMUNNP-ORAYPTAESA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N(CCNc1ccnc(-c2nn[n-]n2)n1)Cc1ccccc1 ZINC001575643192 950966334 /nfs/dbraw/zinc/96/63/34/950966334.db2.gz ZNOKJSQCSQJKRM-OAHLLOKOSA-N -1 1 392.467 1.565 20 0 GDADMM CC(C)(CC(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1)CC(F)F ZINC001573897805 950967239 /nfs/dbraw/zinc/96/72/39/950967239.db2.gz SWQXXPGAUKEPSY-UHFFFAOYSA-N -1 1 380.403 1.789 20 0 GDADMM CC(C)(CC(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1)CC(F)F ZINC001573897805 950967252 /nfs/dbraw/zinc/96/72/52/950967252.db2.gz SWQXXPGAUKEPSY-UHFFFAOYSA-N -1 1 380.403 1.789 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)CC(F)F ZINC001573898095 950969731 /nfs/dbraw/zinc/96/97/31/950969731.db2.gz WLHRGMILQUWQAK-SNVBAGLBSA-N -1 1 380.403 1.423 20 0 GDADMM CC(C)(CC(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)CC(F)F ZINC001573898095 950969751 /nfs/dbraw/zinc/96/97/51/950969751.db2.gz WLHRGMILQUWQAK-SNVBAGLBSA-N -1 1 380.403 1.423 20 0 GDADMM CC(C)(CC(=O)NCC=CCNc1nccnc1-c1nnn[n-]1)CC(F)F ZINC001573899493 950979158 /nfs/dbraw/zinc/97/91/58/950979158.db2.gz APFUITZEJHMQKN-ONEGZZNKSA-N -1 1 380.403 1.813 20 0 GDADMM CC(C)(CC(=O)NCC=CCNc1nccnc1-c1nn[n-]n1)CC(F)F ZINC001573899493 950979176 /nfs/dbraw/zinc/97/91/76/950979176.db2.gz APFUITZEJHMQKN-ONEGZZNKSA-N -1 1 380.403 1.813 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C2CC2)cn1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575021537 951064987 /nfs/dbraw/zinc/06/49/87/951064987.db2.gz CVIWLRHPSQCQMX-LLVKDONJSA-N -1 1 379.428 1.407 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C2CC2)cn1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575021537 951064999 /nfs/dbraw/zinc/06/49/99/951064999.db2.gz CVIWLRHPSQCQMX-LLVKDONJSA-N -1 1 379.428 1.407 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCC=C2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575024820 951115655 /nfs/dbraw/zinc/11/56/55/951115655.db2.gz NFRHNNTVFGEFKX-LBPRGKRZSA-N -1 1 376.424 1.847 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCC=C2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575024820 951115663 /nfs/dbraw/zinc/11/56/63/951115663.db2.gz NFRHNNTVFGEFKX-LBPRGKRZSA-N -1 1 376.424 1.847 20 0 GDADMM O=C([O-])CC[C@@H]1C[C@H](C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CO1 ZINC001595000497 951115694 /nfs/dbraw/zinc/11/56/94/951115694.db2.gz CHSACXWKIIHUPT-FCGDIQPGSA-N -1 1 390.480 1.256 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)cc1Cl)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575024836 951117551 /nfs/dbraw/zinc/11/75/51/951117551.db2.gz NNKQHHIHSULZKI-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(F)cc1Cl)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575024836 951117560 /nfs/dbraw/zinc/11/75/60/951117560.db2.gz NNKQHHIHSULZKI-QMMMGPOBSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(N(C)C)cc1F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575025167 951128459 /nfs/dbraw/zinc/12/84/59/951128459.db2.gz WKZINLNNCPQKTH-JTQLQIEISA-N -1 1 385.407 1.092 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(N(C)C)cc1F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575025167 951128463 /nfs/dbraw/zinc/12/84/63/951128463.db2.gz WKZINLNNCPQKTH-JTQLQIEISA-N -1 1 385.407 1.092 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(Cl)c1F)CNc1nccnc1-c1nnn[n-]1 ZINC001575026874 951148069 /nfs/dbraw/zinc/14/80/69/951148069.db2.gz NFKNIRKKRUEPCI-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(Cl)c1F)CNc1nccnc1-c1nn[n-]n1 ZINC001575026874 951148071 /nfs/dbraw/zinc/14/80/71/951148071.db2.gz NFKNIRKKRUEPCI-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM C[C@H](CNC(=O)c1cccc(Cl)c1F)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575027116 951152640 /nfs/dbraw/zinc/15/26/40/951152640.db2.gz POHCSLWFEWWLCA-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@H](CNC(=O)c1cccc(Cl)c1F)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575027116 951152648 /nfs/dbraw/zinc/15/26/48/951152648.db2.gz POHCSLWFEWWLCA-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@H](CNC(=O)c1ccccc1C1(C)CC1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575027038 951153666 /nfs/dbraw/zinc/15/36/66/951153666.db2.gz COAZRPYDTJNKHC-CYBMUJFWSA-N -1 1 392.467 1.963 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(N(C)C)c1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575027329 951154387 /nfs/dbraw/zinc/15/43/87/951154387.db2.gz FCCHRSWVHMSOAS-GFCCVEGCSA-N -1 1 381.444 1.201 20 0 GDADMM C[C@@H](CNC(=O)c1cccc(N(C)C)c1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575027329 951154395 /nfs/dbraw/zinc/15/43/95/951154395.db2.gz FCCHRSWVHMSOAS-GFCCVEGCSA-N -1 1 381.444 1.201 20 0 GDADMM C[C@H](CNC(=O)c1ccc2cnccc2c1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575028377 951172845 /nfs/dbraw/zinc/17/28/45/951172845.db2.gz VWIGVWUXGQFJHP-LBPRGKRZSA-N -1 1 389.423 1.683 20 0 GDADMM C[C@H](CNC(=O)c1ccc2cnccc2c1)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575028377 951172851 /nfs/dbraw/zinc/17/28/51/951172851.db2.gz VWIGVWUXGQFJHP-LBPRGKRZSA-N -1 1 389.423 1.683 20 0 GDADMM C[C@H](CNC(=O)c1cccnc1C(F)F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575031867 951207038 /nfs/dbraw/zinc/20/70/38/951207038.db2.gz KUGSYEOWGIGSCP-MRVPVSSYSA-N -1 1 375.343 1.220 20 0 GDADMM C[C@H](CNC(=O)c1cccnc1C(F)F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575031867 951207051 /nfs/dbraw/zinc/20/70/51/951207051.db2.gz KUGSYEOWGIGSCP-MRVPVSSYSA-N -1 1 375.343 1.220 20 0 GDADMM C[C@H](CNC(=O)c1ccncc1F)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575034241 951239989 /nfs/dbraw/zinc/23/99/89/951239989.db2.gz KDVGYEUTAJANCD-ZCFIWIBFSA-N -1 1 382.812 1.741 20 0 GDADMM C[C@@H](CNC(=O)c1ccncn1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575034319 951245365 /nfs/dbraw/zinc/24/53/65/951245365.db2.gz MELWAFLDCCZFEB-ZETCQYMHSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1ccncn1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575034319 951245377 /nfs/dbraw/zinc/24/53/77/951245377.db2.gz MELWAFLDCCZFEB-ZETCQYMHSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@H](CNC(=O)c1ccn(C)c1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575034479 951251633 /nfs/dbraw/zinc/25/16/33/951251633.db2.gz BTAYWGYTFWCIRG-MRVPVSSYSA-N -1 1 380.865 1.793 20 0 GDADMM C[C@H](CNC(=O)c1ccn(C)c1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575034479 951251647 /nfs/dbraw/zinc/25/16/47/951251647.db2.gz BTAYWGYTFWCIRG-MRVPVSSYSA-N -1 1 380.865 1.793 20 0 GDADMM C[C@H](CNC(=O)c1ccnc(C2CC2)c1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575036912 951302403 /nfs/dbraw/zinc/30/24/03/951302403.db2.gz YPPXDARUJBDCKE-LLVKDONJSA-N -1 1 379.428 1.184 20 0 GDADMM C[C@H](CNC(=O)c1ccnc(C2CC2)c1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575036912 951302416 /nfs/dbraw/zinc/30/24/16/951302416.db2.gz YPPXDARUJBDCKE-LLVKDONJSA-N -1 1 379.428 1.184 20 0 GDADMM C[C@@H](CNC(=O)c1ccn(C2CCCC2)n1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575036725 951302754 /nfs/dbraw/zinc/30/27/54/951302754.db2.gz WZELXJFUTXHAJR-NSHDSACASA-N -1 1 382.432 1.199 20 0 GDADMM C[C@@H](CNC(=O)c1ccn(C2CCCC2)n1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575036725 951302774 /nfs/dbraw/zinc/30/27/74/951302774.db2.gz WZELXJFUTXHAJR-NSHDSACASA-N -1 1 382.432 1.199 20 0 GDADMM C[C@@H]1[C@H](NS(=O)(=O)N2CCC(C(=O)[O-])CC2)CCN1Cc1ccccc1 ZINC000389068295 951343251 /nfs/dbraw/zinc/34/32/51/951343251.db2.gz VPUQCUXGZQASKJ-RHSMWYFYSA-N -1 1 381.498 1.280 20 0 GDADMM C[C@@H](CNC(=O)c1coc(C2CCC2)n1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575056021 951515957 /nfs/dbraw/zinc/51/59/57/951515957.db2.gz DPLYHTZEVGIXPE-JTQLQIEISA-N -1 1 383.416 1.167 20 0 GDADMM C[C@@H](CNC(=O)c1coc(C2CCC2)n1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001575056021 951515965 /nfs/dbraw/zinc/51/59/65/951515965.db2.gz DPLYHTZEVGIXPE-JTQLQIEISA-N -1 1 383.416 1.167 20 0 GDADMM C[C@@H](CNC(=O)c1cscn1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575060704 951544518 /nfs/dbraw/zinc/54/45/18/951544518.db2.gz DMMMMLLWXPVRSD-LURJTMIESA-N -1 1 384.878 1.911 20 0 GDADMM C[C@H](CNC(=O)c1csc(Cl)n1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575061668 951559951 /nfs/dbraw/zinc/55/99/51/951559951.db2.gz PNYIZKGNLOZQQV-SSDOTTSWSA-N -1 1 379.837 1.021 20 0 GDADMM C[C@H](CNC(=O)c1csc(Cl)n1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575061668 951559961 /nfs/dbraw/zinc/55/99/61/951559961.db2.gz PNYIZKGNLOZQQV-SSDOTTSWSA-N -1 1 379.837 1.021 20 0 GDADMM CC(C)c1scnc1C(=O)NC[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575064621 951575801 /nfs/dbraw/zinc/57/58/01/951575801.db2.gz BGHKKGNMQMJDRG-SNVBAGLBSA-N -1 1 387.473 1.715 20 0 GDADMM CC(C)c1scnc1C(=O)NC[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575064621 951575810 /nfs/dbraw/zinc/57/58/10/951575810.db2.gz BGHKKGNMQMJDRG-SNVBAGLBSA-N -1 1 387.473 1.715 20 0 GDADMM C[C@@H](CNC(=O)c1scnc1C(F)F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575069436 951643354 /nfs/dbraw/zinc/64/33/54/951643354.db2.gz IVRRXMWBCWNBBQ-LURJTMIESA-N -1 1 381.372 1.281 20 0 GDADMM C[C@@H](CNC(=O)c1scnc1C(F)F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575069436 951643362 /nfs/dbraw/zinc/64/33/62/951643362.db2.gz IVRRXMWBCWNBBQ-LURJTMIESA-N -1 1 381.372 1.281 20 0 GDADMM C[C@H](CNC(=O)c1sccc1C(F)F)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575071207 951657807 /nfs/dbraw/zinc/65/78/07/951657807.db2.gz YHHPRZGMUKXFAW-SSDOTTSWSA-N -1 1 380.384 1.886 20 0 GDADMM C[C@H](CNC(=O)c1sccc1C(F)F)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575071207 951657810 /nfs/dbraw/zinc/65/78/10/951657810.db2.gz YHHPRZGMUKXFAW-SSDOTTSWSA-N -1 1 380.384 1.886 20 0 GDADMM CC(C)c1ncsc1C(=O)NC[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001575071297 951658344 /nfs/dbraw/zinc/65/83/44/951658344.db2.gz ZJLBLQRYNQYFTR-JTQLQIEISA-N -1 1 387.473 1.715 20 0 GDADMM CC(C)c1ncsc1C(=O)NC[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001575071297 951658352 /nfs/dbraw/zinc/65/83/52/951658352.db2.gz ZJLBLQRYNQYFTR-JTQLQIEISA-N -1 1 387.473 1.715 20 0 GDADMM O=C([O-])COCCOCCNC(=O)c1cc(Br)cc(F)c1O ZINC001595115085 951942135 /nfs/dbraw/zinc/94/21/35/951942135.db2.gz WGMZNTWTAUYVFL-UHFFFAOYSA-N -1 1 380.166 1.141 20 0 GDADMM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)[C@@H]1CCCC12CC2)C1CC1 ZINC001575134519 952112110 /nfs/dbraw/zinc/11/21/10/952112110.db2.gz IUFITPIFRPEFOZ-SCLBCKFNSA-N -1 1 382.472 1.356 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H](F)Cc1ccccc1 ZINC001575135826 952120911 /nfs/dbraw/zinc/12/09/11/952120911.db2.gz SDJJMOUTDXUBLO-OCCSQVGLSA-N -1 1 384.419 1.496 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H](F)Cc1ccccc1 ZINC001575135826 952120919 /nfs/dbraw/zinc/12/09/19/952120919.db2.gz SDJJMOUTDXUBLO-OCCSQVGLSA-N -1 1 384.419 1.496 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H](F)Cc1ccccc1 ZINC001575135824 952120969 /nfs/dbraw/zinc/12/09/69/952120969.db2.gz SDJJMOUTDXUBLO-JSGCOSHPSA-N -1 1 384.419 1.496 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@@H](F)Cc1ccccc1 ZINC001575135824 952120973 /nfs/dbraw/zinc/12/09/73/952120973.db2.gz SDJJMOUTDXUBLO-JSGCOSHPSA-N -1 1 384.419 1.496 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cccc2ncccc21 ZINC001575135848 952121267 /nfs/dbraw/zinc/12/12/67/952121267.db2.gz SISKPMJHVWLSNO-LBPRGKRZSA-N -1 1 389.423 1.778 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cccc2ncccc21 ZINC001575135848 952121270 /nfs/dbraw/zinc/12/12/70/952121270.db2.gz SISKPMJHVWLSNO-LBPRGKRZSA-N -1 1 389.423 1.778 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cnc(C2CC2)s1 ZINC001575136821 952129723 /nfs/dbraw/zinc/12/97/23/952129723.db2.gz PXKUZFOUJYYDDO-SECBINFHSA-N -1 1 385.457 1.563 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cnc(C2CC2)s1 ZINC001575136821 952129730 /nfs/dbraw/zinc/12/97/30/952129730.db2.gz PXKUZFOUJYYDDO-SECBINFHSA-N -1 1 385.457 1.563 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cnn(C2CCC2)c1 ZINC001575136930 952131094 /nfs/dbraw/zinc/13/10/94/952131094.db2.gz RYHLDLQZPTZVII-NSHDSACASA-N -1 1 382.432 1.151 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cnn(C2CCC2)c1 ZINC001575136930 952131100 /nfs/dbraw/zinc/13/11/00/952131100.db2.gz RYHLDLQZPTZVII-NSHDSACASA-N -1 1 382.432 1.151 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCc2ccccc2C1 ZINC001575142234 952148583 /nfs/dbraw/zinc/14/85/83/952148583.db2.gz KMBAYNORZBQIDG-XJKSGUPXSA-N -1 1 392.467 1.143 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@]1(C)CCc2ccccc21 ZINC001575143514 952154629 /nfs/dbraw/zinc/15/46/29/952154629.db2.gz QBOGWLHYCXSUEJ-RBZFPXEDSA-N -1 1 392.467 1.242 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001575144045 952161035 /nfs/dbraw/zinc/16/10/35/952161035.db2.gz TXIYYULICRXPBQ-RMEHTXHKSA-N -1 1 384.488 1.554 20 0 GDADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)c1ccc(F)s1)C1CC1 ZINC001575144018 952161126 /nfs/dbraw/zinc/16/11/26/952161126.db2.gz TUZAKOIPVYXNST-INIZCTEOSA-N -1 1 388.432 1.290 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccccc1C1(C)CC1 ZINC001575144913 952174606 /nfs/dbraw/zinc/17/46/06/952174606.db2.gz NPKHIVKLPHMRCH-ZDUSSCGKSA-N -1 1 392.467 1.703 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)CCc1ccc(F)cc1 ZINC001575153500 952210420 /nfs/dbraw/zinc/21/04/20/952210420.db2.gz HQENGQZGMYXOBD-LBPRGKRZSA-N -1 1 384.419 1.687 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)CCc1ccc(F)cc1 ZINC001575153500 952210425 /nfs/dbraw/zinc/21/04/25/952210425.db2.gz HQENGQZGMYXOBD-LBPRGKRZSA-N -1 1 384.419 1.687 20 0 GDADMM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC001595169266 952218758 /nfs/dbraw/zinc/21/87/58/952218758.db2.gz LURLYMBHPPUNSU-SJORKVTESA-N -1 1 381.498 1.597 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001575154522 952225336 /nfs/dbraw/zinc/22/53/36/952225336.db2.gz RVMIFZZIEQVIQV-FPMFFAJLSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001575154522 952225342 /nfs/dbraw/zinc/22/53/42/952225342.db2.gz RVMIFZZIEQVIQV-FPMFFAJLSA-N -1 1 379.428 1.114 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)C1CC2(C1)CCOCC2 ZINC001575154706 952229110 /nfs/dbraw/zinc/22/91/10/952229110.db2.gz UYQDBMYGMXQYMS-LBPRGKRZSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)C1CC2(C1)CCOCC2 ZINC001575154706 952229119 /nfs/dbraw/zinc/22/91/19/952229119.db2.gz UYQDBMYGMXQYMS-LBPRGKRZSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ccc(N(C)C)cc1 ZINC001575155315 952236911 /nfs/dbraw/zinc/23/69/11/952236911.db2.gz KWKWGIAALZMPNV-GFCCVEGCSA-N -1 1 381.444 1.295 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ccc(N(C)C)cc1 ZINC001575155315 952236920 /nfs/dbraw/zinc/23/69/20/952236920.db2.gz KWKWGIAALZMPNV-GFCCVEGCSA-N -1 1 381.444 1.295 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1ccc(Cl)s1 ZINC001575157639 952266152 /nfs/dbraw/zinc/26/61/52/952266152.db2.gz NYDWBBYIUYGDJJ-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc(Cl)s1 ZINC001575157639 952266157 /nfs/dbraw/zinc/26/61/57/952266157.db2.gz NYDWBBYIUYGDJJ-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CC1(C(F)(F)F)CC1 ZINC001575157951 952267661 /nfs/dbraw/zinc/26/76/61/952267661.db2.gz QKIQVTWDZFQDBJ-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CC1(C(F)(F)F)CC1 ZINC001575157951 952267666 /nfs/dbraw/zinc/26/76/66/952267666.db2.gz QKIQVTWDZFQDBJ-SECBINFHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)c1ccncn1 ZINC001575164728 952299356 /nfs/dbraw/zinc/29/93/56/952299356.db2.gz GYXBRGYBOAMCQM-ZETCQYMHSA-N -1 1 379.837 1.339 20 0 GDADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)Cc1cc[nH]n1 ZINC001575166487 952325439 /nfs/dbraw/zinc/32/54/39/952325439.db2.gz WOTQUEJJUWUQPZ-SSDOTTSWSA-N -1 1 381.853 1.201 20 0 GDADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)Cc1ccsc1)C1CC1 ZINC001575173899 952360028 /nfs/dbraw/zinc/36/00/28/952360028.db2.gz CLLMNRAFOVAFPT-QGZVFWFLSA-N -1 1 384.469 1.658 20 0 GDADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)Cc1ccsc1)C1CC1 ZINC001575173899 952360037 /nfs/dbraw/zinc/36/00/37/952360037.db2.gz CLLMNRAFOVAFPT-QGZVFWFLSA-N -1 1 384.469 1.658 20 0 GDADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)[C@H]1C[C@@H]1C(F)F)C1CC1 ZINC001575174212 952368398 /nfs/dbraw/zinc/36/83/98/952368398.db2.gz JQGJCNMTEDRDLP-PUTJDCORSA-N -1 1 378.387 1.255 20 0 GDADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)[C@H]1C[C@@H]1C(F)F)C1CC1 ZINC001575174212 952368404 /nfs/dbraw/zinc/36/84/04/952368404.db2.gz JQGJCNMTEDRDLP-PUTJDCORSA-N -1 1 378.387 1.255 20 0 GDADMM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)c1cncc(F)c1)C1CC1 ZINC001575174760 952380557 /nfs/dbraw/zinc/38/05/57/952380557.db2.gz SGIBJRAELPLTKP-KRWDZBQOSA-N -1 1 383.391 1.201 20 0 GDADMM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)c1cncc(F)c1)C1CC1 ZINC001575174760 952380563 /nfs/dbraw/zinc/38/05/63/952380563.db2.gz SGIBJRAELPLTKP-KRWDZBQOSA-N -1 1 383.391 1.201 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)Cc1ccc2n[nH]cc2c1 ZINC001575178798 952409078 /nfs/dbraw/zinc/40/90/78/952409078.db2.gz NGDVAIJNBSEFPD-NSHDSACASA-N -1 1 392.427 1.035 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)Cc1ccc2n[nH]cc2c1 ZINC001575178798 952409081 /nfs/dbraw/zinc/40/90/81/952409081.db2.gz NGDVAIJNBSEFPD-NSHDSACASA-N -1 1 392.427 1.035 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)C1CCOCC1 ZINC001575178854 952409323 /nfs/dbraw/zinc/40/93/23/952409323.db2.gz OGRUWLAEYCFHFY-MRVPVSSYSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)C1CCOCC1 ZINC001575178854 952409326 /nfs/dbraw/zinc/40/93/26/952409326.db2.gz OGRUWLAEYCFHFY-MRVPVSSYSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@H](Cc1ccc(F)cc1)C(=O)NCCN(C)c1nccnc1-c1nnn[n-]1 ZINC001575189349 952456033 /nfs/dbraw/zinc/45/60/33/952456033.db2.gz NNXNRCIYJRNQBV-GFCCVEGCSA-N -1 1 384.419 1.227 20 0 GDADMM C[C@H](Cc1ccc(F)cc1)C(=O)NCCN(C)c1nccnc1-c1nn[n-]n1 ZINC001575189349 952456038 /nfs/dbraw/zinc/45/60/38/952456038.db2.gz NNXNRCIYJRNQBV-GFCCVEGCSA-N -1 1 384.419 1.227 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001575189782 952459026 /nfs/dbraw/zinc/45/90/26/952459026.db2.gz QHKDQRUADFEJIR-LBPRGKRZSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001575189782 952459030 /nfs/dbraw/zinc/45/90/30/952459030.db2.gz QHKDQRUADFEJIR-LBPRGKRZSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575196152 952474646 /nfs/dbraw/zinc/47/46/46/952474646.db2.gz DVLJVTLCUBOEBX-STQMWFEESA-N -1 1 382.428 1.214 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575196152 952474649 /nfs/dbraw/zinc/47/46/49/952474649.db2.gz DVLJVTLCUBOEBX-STQMWFEESA-N -1 1 382.428 1.214 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575197036 952479183 /nfs/dbraw/zinc/47/91/83/952479183.db2.gz MCSOSOPGEPTKRV-QWHCGFSZSA-N -1 1 382.428 1.071 20 0 GDADMM Cc1nsc(N[C@H]2CC[C@H](NC(=O)c3cnon3)CC2)c1-c1nn[n-]n1 ZINC001571117516 952481706 /nfs/dbraw/zinc/48/17/06/952481706.db2.gz LWGJFYRYOHYWIO-KYZUINATSA-N -1 1 375.418 1.168 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H]1C ZINC001575197336 952482634 /nfs/dbraw/zinc/48/26/34/952482634.db2.gz UFHAVNIQQCFARR-SCRDCRAPSA-N -1 1 382.428 1.212 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H]1C ZINC001575197336 952482637 /nfs/dbraw/zinc/48/26/37/952482637.db2.gz UFHAVNIQQCFARR-SCRDCRAPSA-N -1 1 382.428 1.212 20 0 GDADMM O=C(N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccc2c(c1)CCC2 ZINC001571119452 952490464 /nfs/dbraw/zinc/49/04/64/952490464.db2.gz BQBNSVOSAKGGAZ-OAHLLOKOSA-N -1 1 376.424 1.154 20 0 GDADMM Cc1nsc(N[C@H]2C[C@H](NC(=O)Cc3cccs3)C2)c1-c1nn[n-]n1 ZINC001571119936 952497797 /nfs/dbraw/zinc/49/77/97/952497797.db2.gz HHESZYGEIAPAAW-MGCOHNPYSA-N -1 1 375.483 1.995 20 0 GDADMM CCc1ccccc1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571120653 952506930 /nfs/dbraw/zinc/50/69/30/952506930.db2.gz OVFDTMUYEUBDRW-KBPBESRZSA-N -1 1 376.424 1.322 20 0 GDADMM CCc1ccccc1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571120653 952506936 /nfs/dbraw/zinc/50/69/36/952506936.db2.gz OVFDTMUYEUBDRW-KBPBESRZSA-N -1 1 376.424 1.322 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001571120767 952509100 /nfs/dbraw/zinc/50/91/00/952509100.db2.gz QTMIQYNATFRATA-CQSZACIVSA-N -1 1 376.424 1.296 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1)c1cccnc1 ZINC001571122242 952523291 /nfs/dbraw/zinc/52/32/91/952523291.db2.gz HLQDKYDARIWTKJ-KYZUINATSA-N -1 1 376.833 1.745 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1)c1cccnc1 ZINC001571122242 952523294 /nfs/dbraw/zinc/52/32/94/952523294.db2.gz HLQDKYDARIWTKJ-KYZUINATSA-N -1 1 376.833 1.745 20 0 GDADMM O=C(N[C@@H]1[C@H]2CN(c3nc(Cl)c(-c4nnn[n-]4)s3)C[C@H]21)c1cc[nH]c1 ZINC001571123138 952529850 /nfs/dbraw/zinc/52/98/50/952529850.db2.gz QCMLSUMNBWCIPW-BRPSZJMVSA-N -1 1 376.833 1.169 20 0 GDADMM O=C(N[C@@H]1[C@H]2CN(c3nc(Cl)c(-c4nn[n-]n4)s3)C[C@H]21)c1cc[nH]c1 ZINC001571123138 952529855 /nfs/dbraw/zinc/52/98/55/952529855.db2.gz QCMLSUMNBWCIPW-BRPSZJMVSA-N -1 1 376.833 1.169 20 0 GDADMM CC(=O)NCC[C@H]1CCCN(C(=O)NCc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571127626 952558004 /nfs/dbraw/zinc/55/80/04/952558004.db2.gz KDGFBVPVPWDZTF-GFCCVEGCSA-N -1 1 377.474 1.376 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1 ZINC001575213620 952558787 /nfs/dbraw/zinc/55/87/87/952558787.db2.gz DAGPWECAMSUSFA-JTQLQIEISA-N -1 1 380.403 1.645 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1 ZINC001575213620 952558789 /nfs/dbraw/zinc/55/87/89/952558789.db2.gz DAGPWECAMSUSFA-JTQLQIEISA-N -1 1 380.403 1.645 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001575213610 952558845 /nfs/dbraw/zinc/55/88/45/952558845.db2.gz CJSXEHDRORRBKO-UHFFFAOYSA-N -1 1 380.403 1.423 20 0 GDADMM O=C(NC[C@@H](O)c1ccc(Cl)c(F)c1)Nc1cccc(-c2nnn[n-]2)n1 ZINC001571128112 952563219 /nfs/dbraw/zinc/56/32/19/952563219.db2.gz PXGBLXSMMOUQCG-GFCCVEGCSA-N -1 1 377.767 1.909 20 0 GDADMM O=C(NC[C@@H](O)c1ccc(Cl)c(F)c1)Nc1cccc(-c2nn[n-]n2)n1 ZINC001571128112 952563224 /nfs/dbraw/zinc/56/32/24/952563224.db2.gz PXGBLXSMMOUQCG-GFCCVEGCSA-N -1 1 377.767 1.909 20 0 GDADMM CN(C(=O)Cn1c(=O)c(-c2nn[n-]n2)ccc1C(F)(F)F)c1ccccc1 ZINC001571129225 952573203 /nfs/dbraw/zinc/57/32/03/952573203.db2.gz BHXYKTFYOMSCOR-UHFFFAOYSA-N -1 1 378.314 1.710 20 0 GDADMM CN(c1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)[C@@H]2CCC2(F)F)C1 ZINC001571129338 952574366 /nfs/dbraw/zinc/57/43/66/952574366.db2.gz CNDVFNBGPKZZPG-MNOVXSKESA-N -1 1 378.387 1.129 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H]3C[C@H]2CN3C(=O)C(C)(C)C(F)F)n1 ZINC001571129822 952576173 /nfs/dbraw/zinc/57/61/73/952576173.db2.gz JWOLSRHENXUJLF-UWVGGRQHSA-N -1 1 378.387 1.046 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3C[C@H]2CN3C(=O)C(C)(C)C(F)F)n1 ZINC001571129822 952576177 /nfs/dbraw/zinc/57/61/77/952576177.db2.gz JWOLSRHENXUJLF-UWVGGRQHSA-N -1 1 378.387 1.046 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)C3(C(C)(F)F)CC3)C2)n1 ZINC001571129832 952576403 /nfs/dbraw/zinc/57/64/03/952576403.db2.gz KCLKLELBUOWFCK-SNVBAGLBSA-N -1 1 378.387 1.413 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)C3(C(C)(F)F)CC3)C2)n1 ZINC001571129832 952576407 /nfs/dbraw/zinc/57/64/07/952576407.db2.gz KCLKLELBUOWFCK-SNVBAGLBSA-N -1 1 378.387 1.413 20 0 GDADMM CN(C(=O)[C@@H]1CCC1(F)F)C1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571130006 952577288 /nfs/dbraw/zinc/57/72/88/952577288.db2.gz MPIFMKFLOCKGBL-NSHDSACASA-N -1 1 378.387 1.129 20 0 GDADMM C[C@@H](NC(=O)[C@H]1CC1(F)F)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571129999 952577553 /nfs/dbraw/zinc/57/75/53/952577553.db2.gz MKDBOYUAYQMQEK-MWLCHTKSSA-N -1 1 378.387 1.033 20 0 GDADMM C[C@@H](NC(=O)[C@H]1CC1(F)F)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571129999 952577557 /nfs/dbraw/zinc/57/75/57/952577557.db2.gz MKDBOYUAYQMQEK-MWLCHTKSSA-N -1 1 378.387 1.033 20 0 GDADMM CC1(C(=O)NC2CC(CNc3cnc(-c4nnn[n-]4)cn3)C2)CC(F)(F)C1 ZINC001571129893 952577683 /nfs/dbraw/zinc/57/76/83/952577683.db2.gz KXBMKBNIZKRQOI-UHFFFAOYSA-N -1 1 378.387 1.399 20 0 GDADMM CC1(C(=O)NC2CC(CNc3cnc(-c4nn[n-]n4)cn3)C2)CC(F)(F)C1 ZINC001571129893 952577685 /nfs/dbraw/zinc/57/76/85/952577685.db2.gz KXBMKBNIZKRQOI-UHFFFAOYSA-N -1 1 378.387 1.399 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@H](NC(=O)Cc3ccccc3C)C2)n1 ZINC001571134128 952586243 /nfs/dbraw/zinc/58/62/43/952586243.db2.gz AMZZTKHBXSZIBV-SHTZXODSSA-N -1 1 378.440 1.575 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@H](NC(=O)Cc3ccccc3C)C2)n1 ZINC001571134128 952586248 /nfs/dbraw/zinc/58/62/48/952586248.db2.gz AMZZTKHBXSZIBV-SHTZXODSSA-N -1 1 378.440 1.575 20 0 GDADMM CCCc1ccccc1C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571134327 952588486 /nfs/dbraw/zinc/58/84/86/952588486.db2.gz DJSXPYJMJSMMSU-CQSZACIVSA-N -1 1 378.440 1.936 20 0 GDADMM CCCc1ccccc1C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571134327 952588489 /nfs/dbraw/zinc/58/84/89/952588489.db2.gz DJSXPYJMJSMMSU-CQSZACIVSA-N -1 1 378.440 1.936 20 0 GDADMM Cc1cccc(C)c1C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571134669 952593911 /nfs/dbraw/zinc/59/39/11/952593911.db2.gz LKCHVXBQIDERCO-CQSZACIVSA-N -1 1 378.440 1.412 20 0 GDADMM CCCc1ccc(C(=O)N[C@H]2C[C@H](Nc3nccnc3-c3nnn[n-]3)C2)cc1 ZINC001571134872 952596518 /nfs/dbraw/zinc/59/65/18/952596518.db2.gz MFEMHMQAZYBNEB-SHTZXODSSA-N -1 1 378.440 1.982 20 0 GDADMM CCCc1ccc(C(=O)N[C@H]2C[C@H](Nc3nccnc3-c3nn[n-]n3)C2)cc1 ZINC001571134872 952596522 /nfs/dbraw/zinc/59/65/22/952596522.db2.gz MFEMHMQAZYBNEB-SHTZXODSSA-N -1 1 378.440 1.982 20 0 GDADMM C[C@@H](CC(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)c1ccccc1 ZINC001571134926 952597321 /nfs/dbraw/zinc/59/73/21/952597321.db2.gz NMETVHSZWOFACR-AWEZNQCLSA-N -1 1 378.440 1.499 20 0 GDADMM C[C@@H](CC(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)c1ccccc1 ZINC001571134926 952597326 /nfs/dbraw/zinc/59/73/26/952597326.db2.gz NMETVHSZWOFACR-AWEZNQCLSA-N -1 1 378.440 1.499 20 0 GDADMM Cc1ccc(CC(=O)N2CCC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)cc1 ZINC001571135053 952598256 /nfs/dbraw/zinc/59/82/56/952598256.db2.gz QYKOWRZAKPGBLR-OAHLLOKOSA-N -1 1 378.440 1.611 20 0 GDADMM Cc1ccc(CC(=O)N2CCC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)cc1 ZINC001571135053 952598260 /nfs/dbraw/zinc/59/82/60/952598260.db2.gz QYKOWRZAKPGBLR-OAHLLOKOSA-N -1 1 378.440 1.611 20 0 GDADMM Cc1cccc(C(=O)N2CCCN(c3nc(C)cc(-c4nnn[n-]4)n3)CC2)c1 ZINC001571134976 952598651 /nfs/dbraw/zinc/59/86/51/952598651.db2.gz PLUHKENLVQRIIP-UHFFFAOYSA-N -1 1 378.440 1.626 20 0 GDADMM Cc1cccc(C(=O)N2CCCN(c3nc(C)cc(-c4nn[n-]n4)n3)CC2)c1 ZINC001571134976 952598653 /nfs/dbraw/zinc/59/86/53/952598653.db2.gz PLUHKENLVQRIIP-UHFFFAOYSA-N -1 1 378.440 1.626 20 0 GDADMM Cc1cccc(C)c1C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571135096 952599432 /nfs/dbraw/zinc/59/94/32/952599432.db2.gz RKBZMXADRPQUFQ-CQSZACIVSA-N -1 1 378.440 1.672 20 0 GDADMM Cc1cccc(C)c1C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571135096 952599434 /nfs/dbraw/zinc/59/94/34/952599434.db2.gz RKBZMXADRPQUFQ-CQSZACIVSA-N -1 1 378.440 1.672 20 0 GDADMM COc1ccc([O-])c(S(=O)(=O)NCc2ccc(-c3nn[nH]n3)cc2F)c1 ZINC001571139079 952618113 /nfs/dbraw/zinc/61/81/13/952618113.db2.gz BPPXIFYKSFLVAZ-UHFFFAOYSA-N -1 1 379.373 1.199 20 0 GDADMM COc1ncc(NC(=O)c2cccc(N3CCCC3=O)c2)cc1-c1nn[n-]n1 ZINC001571139426 952620040 /nfs/dbraw/zinc/62/00/40/952620040.db2.gz HMFUGAUEZABMCT-UHFFFAOYSA-N -1 1 379.380 1.649 20 0 GDADMM Cc1nsc(N2CC[C@H](NC(=O)c3cc(Cl)c[nH]3)C2)c1-c1nn[n-]n1 ZINC001571142487 952641812 /nfs/dbraw/zinc/64/18/12/952641812.db2.gz RKGYQHZIZLEHIO-VIFPVBQESA-N -1 1 378.849 1.622 20 0 GDADMM CCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCN(C(=O)c2ccccn2)CC1 ZINC001571146724 952651817 /nfs/dbraw/zinc/65/18/17/952651817.db2.gz AZPNHEGYRQNWCV-UHFFFAOYSA-N -1 1 379.428 1.549 20 0 GDADMM CCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCN(C(=O)c2ccccn2)CC1 ZINC001571146724 952651821 /nfs/dbraw/zinc/65/18/21/952651821.db2.gz AZPNHEGYRQNWCV-UHFFFAOYSA-N -1 1 379.428 1.549 20 0 GDADMM O=C(c1cccnc1)N1CCCC[C@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001571150894 952671717 /nfs/dbraw/zinc/67/17/17/952671717.db2.gz IIQYMWYWDJMLKY-AWEZNQCLSA-N -1 1 379.428 1.549 20 0 GDADMM O=C(c1cccnc1)N1CCCC[C@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001571150894 952671722 /nfs/dbraw/zinc/67/17/22/952671722.db2.gz IIQYMWYWDJMLKY-AWEZNQCLSA-N -1 1 379.428 1.549 20 0 GDADMM O=C(N[C@H]1CCCN(c2snc(Cl)c2-c2nnn[n-]2)C1)[C@@H]1CC12CC2 ZINC001571151952 952680405 /nfs/dbraw/zinc/68/04/05/952680405.db2.gz AEMBEIZBRLYKKA-IUCAKERBSA-N -1 1 379.877 1.862 20 0 GDADMM O=C(N[C@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)C1)[C@@H]1CC12CC2 ZINC001571151952 952680407 /nfs/dbraw/zinc/68/04/07/952680407.db2.gz AEMBEIZBRLYKKA-IUCAKERBSA-N -1 1 379.877 1.862 20 0 GDADMM O=C(N[C@@H]1CCCN(c2snc(Cl)c2-c2nnn[n-]2)C1)[C@H]1CC12CC2 ZINC001571151955 952680431 /nfs/dbraw/zinc/68/04/31/952680431.db2.gz AEMBEIZBRLYKKA-RKDXNWHRSA-N -1 1 379.877 1.862 20 0 GDADMM O=C(N[C@@H]1CCCN(c2snc(Cl)c2-c2nn[n-]n2)C1)[C@H]1CC12CC2 ZINC001571151955 952680435 /nfs/dbraw/zinc/68/04/35/952680435.db2.gz AEMBEIZBRLYKKA-RKDXNWHRSA-N -1 1 379.877 1.862 20 0 GDADMM Cc1nc(C(=O)N2CC[C@H](Nc3nc(Cl)c(-c4nn[n-]n4)s3)C2)c[nH]1 ZINC001571153309 952685179 /nfs/dbraw/zinc/68/51/79/952685179.db2.gz NUVFHBNPOAOTTC-ZETCQYMHSA-N -1 1 379.837 1.335 20 0 GDADMM O=C([C@@H]1CC12CC2)N1CCCN(c2nc(-c3nn[n-]n3)c(Cl)s2)CC1 ZINC001571154178 952689081 /nfs/dbraw/zinc/68/90/81/952689081.db2.gz ZBDUTFPAZOHWJJ-VIFPVBQESA-N -1 1 379.877 1.815 20 0 GDADMM C[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)c1ccoc1C1CC1 ZINC001571155112 952692114 /nfs/dbraw/zinc/69/21/14/952692114.db2.gz ICBGQSWJSDCPQR-JQWIXIFHSA-N -1 1 380.412 1.264 20 0 GDADMM CN(C[C@H]1CCN(C(=O)C(C)(C)C(F)F)C1)c1nccnc1-c1nnn[n-]1 ZINC001571155106 952692492 /nfs/dbraw/zinc/69/24/92/952692492.db2.gz HZRXTFBIDFJZEP-SNVBAGLBSA-N -1 1 380.403 1.233 20 0 GDADMM CN(C[C@H]1CCN(C(=O)C(C)(C)C(F)F)C1)c1nccnc1-c1nn[n-]n1 ZINC001571155106 952692495 /nfs/dbraw/zinc/69/24/95/952692495.db2.gz HZRXTFBIDFJZEP-SNVBAGLBSA-N -1 1 380.403 1.233 20 0 GDADMM C[C@]1(NC(=O)[C@@H]2C[C@H]2c2ccco2)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571155200 952693747 /nfs/dbraw/zinc/69/37/47/952693747.db2.gz KQIGAZYBOULGJC-FMTVUPSXSA-N -1 1 380.412 1.138 20 0 GDADMM C[C@]1(NC(=O)[C@@H]2C[C@H]2c2ccco2)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571155200 952693753 /nfs/dbraw/zinc/69/37/53/952693753.db2.gz KQIGAZYBOULGJC-FMTVUPSXSA-N -1 1 380.412 1.138 20 0 GDADMM Cc1cc(C)nc(C(=O)N2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C[C@@H]2C)c1 ZINC001571156729 952704629 /nfs/dbraw/zinc/70/46/29/952704629.db2.gz ICOKIYMQHAWCPX-QWHCGFSZSA-N -1 1 379.428 1.384 20 0 GDADMM Cc1cc(C)nc(C(=O)N2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C[C@@H]2C)c1 ZINC001571156729 952704634 /nfs/dbraw/zinc/70/46/34/952704634.db2.gz ICOKIYMQHAWCPX-QWHCGFSZSA-N -1 1 379.428 1.384 20 0 GDADMM COc1cccc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@H]2C)c1 ZINC001571158297 952711283 /nfs/dbraw/zinc/71/12/83/952711283.db2.gz GLHPVAVJPZFYPA-RISCZKNCSA-N -1 1 380.412 1.380 20 0 GDADMM COc1cccc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@H]2C)c1 ZINC001571158297 952711287 /nfs/dbraw/zinc/71/12/87/952711287.db2.gz GLHPVAVJPZFYPA-RISCZKNCSA-N -1 1 380.412 1.380 20 0 GDADMM COc1cc(C)ccc1C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571159538 952719742 /nfs/dbraw/zinc/71/97/42/952719742.db2.gz XNAFUNIHLHQUCD-HAQNSBGRSA-N -1 1 380.412 1.347 20 0 GDADMM COc1cc(C)ccc1C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571159538 952719745 /nfs/dbraw/zinc/71/97/45/952719745.db2.gz XNAFUNIHLHQUCD-HAQNSBGRSA-N -1 1 380.412 1.347 20 0 GDADMM COc1ccc(C(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c(C)c1 ZINC001571159471 952720105 /nfs/dbraw/zinc/72/01/05/952720105.db2.gz VXPGEHOTAKSWML-GFCCVEGCSA-N -1 1 380.412 1.300 20 0 GDADMM COc1ccc(C(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c(C)c1 ZINC001571159471 952720109 /nfs/dbraw/zinc/72/01/09/952720109.db2.gz VXPGEHOTAKSWML-GFCCVEGCSA-N -1 1 380.412 1.300 20 0 GDADMM Cc1cocc1C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2 ZINC001571161278 952731943 /nfs/dbraw/zinc/73/19/43/952731943.db2.gz UEAMOKIBFNCSBR-OLZOCXBDSA-N -1 1 380.412 1.133 20 0 GDADMM O=C(c1occ2c1CCC2)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571162236 952740879 /nfs/dbraw/zinc/74/08/79/952740879.db2.gz OJAJOZXGBRBXOQ-GFCCVEGCSA-N -1 1 380.412 1.455 20 0 GDADMM O=C(c1occ2c1CCC2)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571162236 952740882 /nfs/dbraw/zinc/74/08/82/952740882.db2.gz OJAJOZXGBRBXOQ-GFCCVEGCSA-N -1 1 380.412 1.455 20 0 GDADMM CC[C@H](C)[C@H](NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)C(=O)OC ZINC001571167105 952770127 /nfs/dbraw/zinc/77/01/27/952770127.db2.gz VSKAKHAXRPMIHX-XVKPBYJWSA-N -1 1 380.430 1.007 20 0 GDADMM O=C(C1=CCCC1)N1CCC[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CC[C@@H]21 ZINC001571171718 952796337 /nfs/dbraw/zinc/79/63/37/952796337.db2.gz DZJUOLUMBVWKQV-CABCVRRESA-N -1 1 380.456 1.584 20 0 GDADMM O=C([C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571171768 952796975 /nfs/dbraw/zinc/79/69/75/952796975.db2.gz GGZQRVZXGKDOPI-ARSDKDGVSA-N -1 1 380.456 1.352 20 0 GDADMM O=C([C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571171768 952796978 /nfs/dbraw/zinc/79/69/78/952796978.db2.gz GGZQRVZXGKDOPI-ARSDKDGVSA-N -1 1 380.456 1.352 20 0 GDADMM O=C(N[C@@H](CO)c1ccc(F)cc1F)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001571171726 952797085 /nfs/dbraw/zinc/79/70/85/952797085.db2.gz FGDHXNAVEPNFJC-ZDUSSCGKSA-N -1 1 381.289 1.887 20 0 GDADMM O=C(N[C@@H](CO)c1ccc(F)cc1F)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001571171726 952797089 /nfs/dbraw/zinc/79/70/89/952797089.db2.gz FGDHXNAVEPNFJC-ZDUSSCGKSA-N -1 1 381.289 1.887 20 0 GDADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1)[C@H]1CC12CCCC2 ZINC001571171838 952798006 /nfs/dbraw/zinc/79/80/06/952798006.db2.gz GNOWASNLISVHBX-SYQHCUMBSA-N -1 1 380.456 1.463 20 0 GDADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1)[C@H]1CC12CCCC2 ZINC001571171838 952798012 /nfs/dbraw/zinc/79/80/12/952798012.db2.gz GNOWASNLISVHBX-SYQHCUMBSA-N -1 1 380.456 1.463 20 0 GDADMM O=C([C@@H]1C[C@H]1C1CCC1)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001571172041 952800043 /nfs/dbraw/zinc/80/00/43/952800043.db2.gz LBJFXKVRYCRYRD-LJISPDSOSA-N -1 1 380.456 1.273 20 0 GDADMM O=C([C@@H]1C[C@H]1C1CCC1)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001571172041 952800047 /nfs/dbraw/zinc/80/00/47/952800047.db2.gz LBJFXKVRYCRYRD-LJISPDSOSA-N -1 1 380.456 1.273 20 0 GDADMM O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CCC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001571172537 952806465 /nfs/dbraw/zinc/80/64/65/952806465.db2.gz WOSHTZVINSMQCT-VQJWOFKYSA-N -1 1 380.456 1.130 20 0 GDADMM O=C([C@H]1[C@@H]2CCC[C@@H]21)N1CCC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001571172537 952806473 /nfs/dbraw/zinc/80/64/73/952806473.db2.gz WOSHTZVINSMQCT-VQJWOFKYSA-N -1 1 380.456 1.130 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H](Nc3nc(-c4nn[n-]n4)c(Cl)s3)C2)no1 ZINC001571172842 952810498 /nfs/dbraw/zinc/81/04/98/952810498.db2.gz ZFPJXCOSFRSOQA-ZETCQYMHSA-N -1 1 380.821 1.600 20 0 GDADMM CC(C)(C)OC(=O)N1CC(OC(=O)NCc2nc(-c3nnn[n-]3)cs2)C1 ZINC001571182975 952871909 /nfs/dbraw/zinc/87/19/09/952871909.db2.gz LFSRUOSDZVVBLU-UHFFFAOYSA-N -1 1 381.418 1.169 20 0 GDADMM CC(C)(C)OC(=O)N1CC(OC(=O)NCc2nc(-c3nn[n-]n3)cs2)C1 ZINC001571182975 952871913 /nfs/dbraw/zinc/87/19/13/952871913.db2.gz LFSRUOSDZVVBLU-UHFFFAOYSA-N -1 1 381.418 1.169 20 0 GDADMM CCc1[nH]ccc1C(=O)N1CCC[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571183489 952878769 /nfs/dbraw/zinc/87/87/69/952878769.db2.gz BRHCOCBWFPJIAY-LBPRGKRZSA-N -1 1 381.444 1.572 20 0 GDADMM CCc1[nH]ccc1C(=O)N1CCC[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571183489 952878773 /nfs/dbraw/zinc/87/87/73/952878773.db2.gz BRHCOCBWFPJIAY-LBPRGKRZSA-N -1 1 381.444 1.572 20 0 GDADMM CCCc1[nH]ccc1C(=O)N1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571183468 952878930 /nfs/dbraw/zinc/87/89/30/952878930.db2.gz BBZWPKUCEZDVST-LBPRGKRZSA-N -1 1 381.444 1.654 20 0 GDADMM CCCc1[nH]ccc1C(=O)N1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571183468 952878933 /nfs/dbraw/zinc/87/89/33/952878933.db2.gz BBZWPKUCEZDVST-LBPRGKRZSA-N -1 1 381.444 1.654 20 0 GDADMM CCCc1[nH]ccc1C(=O)N1C[C@H](C)[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571183594 952879572 /nfs/dbraw/zinc/87/95/72/952879572.db2.gz FKCRDRWGDREQOX-SMDDNHRTSA-N -1 1 381.444 1.510 20 0 GDADMM CCCc1[nH]ccc1C(=O)N1C[C@H](C)[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571183594 952879576 /nfs/dbraw/zinc/87/95/76/952879576.db2.gz FKCRDRWGDREQOX-SMDDNHRTSA-N -1 1 381.444 1.510 20 0 GDADMM CCc1nc(NC[C@H]2CCCN2C(=O)c2cccn2C)cc(-c2nnn[n-]2)n1 ZINC001571183955 952886147 /nfs/dbraw/zinc/88/61/47/952886147.db2.gz NHSXFBNNXFLGBR-GFCCVEGCSA-N -1 1 381.444 1.274 20 0 GDADMM CCc1nc(NC[C@H]2CCCN2C(=O)c2cccn2C)cc(-c2nn[n-]n2)n1 ZINC001571183955 952886150 /nfs/dbraw/zinc/88/61/50/952886150.db2.gz NHSXFBNNXFLGBR-GFCCVEGCSA-N -1 1 381.444 1.274 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)c3cccn3C)[C@H](C)C2)n1 ZINC001571184662 952896734 /nfs/dbraw/zinc/89/67/34/952896734.db2.gz CPGCIXFKGKBGMR-CHWSQXEVSA-N -1 1 381.444 1.409 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)c3cccn3C)[C@H](C)C2)n1 ZINC001571184662 952896747 /nfs/dbraw/zinc/89/67/47/952896747.db2.gz CPGCIXFKGKBGMR-CHWSQXEVSA-N -1 1 381.444 1.409 20 0 GDADMM Cc1c(C(=O)N2CCCC[C@H]2CNc2cncc(-c3nnn[n-]3)n2)ccn1C ZINC001571185309 952901121 /nfs/dbraw/zinc/90/11/21/952901121.db2.gz KMGBSVNBYTWGOJ-ZDUSSCGKSA-N -1 1 381.444 1.410 20 0 GDADMM Cc1c(C(=O)N2CCCC[C@H]2CNc2cncc(-c3nn[n-]n3)n2)ccn1C ZINC001571185309 952901124 /nfs/dbraw/zinc/90/11/24/952901124.db2.gz KMGBSVNBYTWGOJ-ZDUSSCGKSA-N -1 1 381.444 1.410 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CCC[C@@H](C)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571185250 952901253 /nfs/dbraw/zinc/90/12/53/952901253.db2.gz JZFVBCKKDWZRRK-RISCZKNCSA-N -1 1 381.444 1.646 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CCC[C@@H](C)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571185250 952901254 /nfs/dbraw/zinc/90/12/54/952901254.db2.gz JZFVBCKKDWZRRK-RISCZKNCSA-N -1 1 381.444 1.646 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CCC[C@H](CN(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001571185327 952901313 /nfs/dbraw/zinc/90/13/13/952901313.db2.gz KVAHDAPNTYMUKD-CYBMUJFWSA-N -1 1 381.444 1.282 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CCC[C@H](CN(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001571185327 952901314 /nfs/dbraw/zinc/90/13/14/952901314.db2.gz KVAHDAPNTYMUKD-CYBMUJFWSA-N -1 1 381.444 1.282 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CCCC[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001571185678 952902745 /nfs/dbraw/zinc/90/27/45/952902745.db2.gz OAKXJFNYIZEMOY-ZDUSSCGKSA-N -1 1 381.444 1.790 20 0 GDADMM Cc1[nH]ccc1C(=O)N1CCCC[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001571185678 952902751 /nfs/dbraw/zinc/90/27/51/952902751.db2.gz OAKXJFNYIZEMOY-ZDUSSCGKSA-N -1 1 381.444 1.790 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCC[C@H](NC(=O)c3ccn(C)c3)C2)n1 ZINC001571186325 952907188 /nfs/dbraw/zinc/90/71/88/952907188.db2.gz WNOICLFVPAVFOJ-UONOGXRCSA-N -1 1 381.444 1.457 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCC[C@H](NC(=O)c3ccn(C)c3)C2)n1 ZINC001571186325 952907192 /nfs/dbraw/zinc/90/71/92/952907192.db2.gz WNOICLFVPAVFOJ-UONOGXRCSA-N -1 1 381.444 1.457 20 0 GDADMM C[C@@H]1C[C@@H]1C(=O)NCc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1F ZINC001571195790 952978714 /nfs/dbraw/zinc/97/87/14/952978714.db2.gz FZKZPRVZAQOXRR-MFKMUULPSA-N -1 1 382.403 1.680 20 0 GDADMM C[C@@H]1C[C@@H]1C(=O)NCc1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cc1F ZINC001571195790 952978718 /nfs/dbraw/zinc/97/87/18/952978718.db2.gz FZKZPRVZAQOXRR-MFKMUULPSA-N -1 1 382.403 1.680 20 0 GDADMM Cc1cc(F)cc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571196794 952984745 /nfs/dbraw/zinc/98/47/45/952984745.db2.gz NZLRNAIWHHYRIS-CQSZACIVSA-N -1 1 382.403 1.503 20 0 GDADMM Cc1cc(F)cc(C(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571196794 952984747 /nfs/dbraw/zinc/98/47/47/952984747.db2.gz NZLRNAIWHHYRIS-CQSZACIVSA-N -1 1 382.403 1.503 20 0 GDADMM CN(C(=O)[C@H](F)c1ccccc1)C1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571196966 952986452 /nfs/dbraw/zinc/98/64/52/952986452.db2.gz QWRVJAGEBZNYSZ-SSDMNJCBSA-N -1 1 382.403 1.191 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)c2cccc(F)c2)C1)c1nccnc1-c1nnn[n-]1 ZINC001571197280 952987696 /nfs/dbraw/zinc/98/76/96/952987696.db2.gz VBNQIULAEHFNFH-LBPRGKRZSA-N -1 1 382.403 1.394 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)c2cccc(F)c2)C1)c1nccnc1-c1nn[n-]n1 ZINC001571197280 952987699 /nfs/dbraw/zinc/98/76/99/952987699.db2.gz VBNQIULAEHFNFH-LBPRGKRZSA-N -1 1 382.403 1.394 20 0 GDADMM Cc1cc(F)ccc1C(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571197377 952989328 /nfs/dbraw/zinc/98/93/28/952989328.db2.gz YHOGFLOYWJAVET-GFCCVEGCSA-N -1 1 382.403 1.361 20 0 GDADMM Cc1cc(F)ccc1C(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571197377 952989330 /nfs/dbraw/zinc/98/93/30/952989330.db2.gz YHOGFLOYWJAVET-GFCCVEGCSA-N -1 1 382.403 1.361 20 0 GDADMM Cc1cc(C(=O)NC[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)ccc1F ZINC001571197426 952989348 /nfs/dbraw/zinc/98/93/48/952989348.db2.gz ZTTFETPZJVBIIL-GFCCVEGCSA-N -1 1 382.403 1.361 20 0 GDADMM Cc1cc(C(=O)NC[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)ccc1F ZINC001571197426 952989351 /nfs/dbraw/zinc/98/93/51/952989351.db2.gz ZTTFETPZJVBIIL-GFCCVEGCSA-N -1 1 382.403 1.361 20 0 GDADMM Cc1occc1C(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001571198987 952995312 /nfs/dbraw/zinc/99/53/12/952995312.db2.gz JNTRDFAVGOZQSV-WCQYABFASA-N -1 1 382.428 1.654 20 0 GDADMM Cc1occc1C(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001571198987 952995318 /nfs/dbraw/zinc/99/53/18/952995318.db2.gz JNTRDFAVGOZQSV-WCQYABFASA-N -1 1 382.428 1.654 20 0 GDADMM CC(C)c1ccoc1C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC001571199746 953004487 /nfs/dbraw/zinc/00/44/87/953004487.db2.gz AXAUMHCFQJMMEA-YPMHNXCESA-N -1 1 382.428 1.770 20 0 GDADMM CC(C)c1ccoc1C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C ZINC001571199746 953004491 /nfs/dbraw/zinc/00/44/91/953004491.db2.gz AXAUMHCFQJMMEA-YPMHNXCESA-N -1 1 382.428 1.770 20 0 GDADMM C[C@@H](C(=O)N1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C(C)(C)C1)c1ccco1 ZINC001571199798 953005387 /nfs/dbraw/zinc/00/53/87/953005387.db2.gz CHUVULXJWMVHMV-RISCZKNCSA-N -1 1 382.428 1.702 20 0 GDADMM C[C@@H](C(=O)N1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C(C)(C)C1)c1ccco1 ZINC001571199798 953005389 /nfs/dbraw/zinc/00/53/89/953005389.db2.gz CHUVULXJWMVHMV-RISCZKNCSA-N -1 1 382.428 1.702 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)Cc3ccco3)C[C@H]2C)n1 ZINC001571200573 953010925 /nfs/dbraw/zinc/01/09/25/953010925.db2.gz DXOJOZDTPDKBNW-BXUZGUMPSA-N -1 1 382.428 1.450 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)Cc3ccco3)C[C@H]2C)n1 ZINC001571200573 953010927 /nfs/dbraw/zinc/01/09/27/953010927.db2.gz DXOJOZDTPDKBNW-BXUZGUMPSA-N -1 1 382.428 1.450 20 0 GDADMM Cc1cc(C(=O)N2C[C@@H](C)[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)c(C)o1 ZINC001571200778 953011762 /nfs/dbraw/zinc/01/17/62/953011762.db2.gz GAHDJIANNDPUSU-MFKMUULPSA-N -1 1 382.428 1.687 20 0 GDADMM Cc1cc(C(=O)N2C[C@@H](C)[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)c(C)o1 ZINC001571200778 953011765 /nfs/dbraw/zinc/01/17/65/953011765.db2.gz GAHDJIANNDPUSU-MFKMUULPSA-N -1 1 382.428 1.687 20 0 GDADMM Cc1cocc1C(=O)N[C@@H]1CC[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571201066 953014391 /nfs/dbraw/zinc/01/43/91/953014391.db2.gz JETLNTYMDMUDSQ-CHWSQXEVSA-N -1 1 382.428 1.877 20 0 GDADMM Cc1cocc1C(=O)N[C@@H]1CC[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571201066 953014397 /nfs/dbraw/zinc/01/43/97/953014397.db2.gz JETLNTYMDMUDSQ-CHWSQXEVSA-N -1 1 382.428 1.877 20 0 GDADMM Cc1coc(C(=O)N[C@H](C)[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571201381 953017249 /nfs/dbraw/zinc/01/72/49/953017249.db2.gz LPCAOIYSOCJMPB-OLZOCXBDSA-N -1 1 382.428 1.593 20 0 GDADMM Cc1coc(C(=O)N[C@H](C)[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571201381 953017251 /nfs/dbraw/zinc/01/72/51/953017251.db2.gz LPCAOIYSOCJMPB-OLZOCXBDSA-N -1 1 382.428 1.593 20 0 GDADMM Cc1cc(C)c(C(=O)N2CCC[C@@H](N(C)c3nccnc3-c3nnn[n-]3)C2)o1 ZINC001571201861 953020870 /nfs/dbraw/zinc/02/08/70/953020870.db2.gz ORRXRZZWIMZFDM-CYBMUJFWSA-N -1 1 382.428 1.608 20 0 GDADMM Cc1cc(C)c(C(=O)N2CCC[C@@H](N(C)c3nccnc3-c3nn[n-]n3)C2)o1 ZINC001571201861 953020875 /nfs/dbraw/zinc/02/08/75/953020875.db2.gz ORRXRZZWIMZFDM-CYBMUJFWSA-N -1 1 382.428 1.608 20 0 GDADMM Cc1ccc(C(=O)N2CCC(CN(C)c3cncc(-c4nnn[n-]4)n3)CC2)o1 ZINC001571202316 953024220 /nfs/dbraw/zinc/02/42/20/953024220.db2.gz SZEFQLDFLKTKEB-UHFFFAOYSA-N -1 1 382.428 1.547 20 0 GDADMM Cc1ccc(C(=O)N2CCC(CN(C)c3cncc(-c4nn[n-]n4)n3)CC2)o1 ZINC001571202316 953024225 /nfs/dbraw/zinc/02/42/25/953024225.db2.gz SZEFQLDFLKTKEB-UHFFFAOYSA-N -1 1 382.428 1.547 20 0 GDADMM Cc1cc(C(=O)N2C[C@H](C)[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)oc1C ZINC001571202799 953028710 /nfs/dbraw/zinc/02/87/10/953028710.db2.gz YVNVPXKXWVBHMG-WCQYABFASA-N -1 1 382.428 1.687 20 0 GDADMM Cc1cc(C(=O)N2C[C@H](C)[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)oc1C ZINC001571202799 953028719 /nfs/dbraw/zinc/02/87/19/953028719.db2.gz YVNVPXKXWVBHMG-WCQYABFASA-N -1 1 382.428 1.687 20 0 GDADMM Cc1oc(C)c(C(=O)N2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C[C@@H]2C)c1C ZINC001571205356 953037180 /nfs/dbraw/zinc/03/71/80/953037180.db2.gz HYTBTVOKGRWEAT-ZANVPECISA-N -1 1 382.428 1.890 20 0 GDADMM Cc1oc(C)c(C(=O)N2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C[C@@H]2C)c1C ZINC001571205356 953037182 /nfs/dbraw/zinc/03/71/82/953037182.db2.gz HYTBTVOKGRWEAT-ZANVPECISA-N -1 1 382.428 1.890 20 0 GDADMM O=C(CCc1ccoc1)N1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571205366 953037452 /nfs/dbraw/zinc/03/74/52/953037452.db2.gz IEEWJDHJTIOWPE-AWEZNQCLSA-N -1 1 382.428 1.676 20 0 GDADMM O=C(CCc1ccoc1)N1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571205366 953037457 /nfs/dbraw/zinc/03/74/57/953037457.db2.gz IEEWJDHJTIOWPE-AWEZNQCLSA-N -1 1 382.428 1.676 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NCC[C@@H]2CCCCN2C(=O)c2cn[nH]c2)n1 ZINC001571205879 953043509 /nfs/dbraw/zinc/04/35/09/953043509.db2.gz CTWPCMXGHXSPEE-ZDUSSCGKSA-N -1 1 382.432 1.185 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NCC[C@@H]2CCCCN2C(=O)c2cn[nH]c2)n1 ZINC001571205879 953043512 /nfs/dbraw/zinc/04/35/12/953043512.db2.gz CTWPCMXGHXSPEE-ZDUSSCGKSA-N -1 1 382.432 1.185 20 0 GDADMM CCn1ccnc1C(=O)N[C@@H]1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571206089 953047446 /nfs/dbraw/zinc/04/74/46/953047446.db2.gz CYILMTGAUKDBBB-VXGBXAGGSA-N -1 1 382.432 1.026 20 0 GDADMM CCn1ccnc1C(=O)N[C@@H]1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571206089 953047449 /nfs/dbraw/zinc/04/74/49/953047449.db2.gz CYILMTGAUKDBBB-VXGBXAGGSA-N -1 1 382.432 1.026 20 0 GDADMM Cc1occc1C(=O)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)[C@@H](C)C1 ZINC001571207348 953061843 /nfs/dbraw/zinc/06/18/43/953061843.db2.gz YGFDCRJHLUHGJS-WCQYABFASA-N -1 1 382.428 1.768 20 0 GDADMM Cc1occc1C(=O)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)[C@@H](C)C1 ZINC001571207348 953061844 /nfs/dbraw/zinc/06/18/44/953061844.db2.gz YGFDCRJHLUHGJS-WCQYABFASA-N -1 1 382.428 1.768 20 0 GDADMM Cc1c[nH]nc1C(=O)N1CCC[C@H]([C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571207534 953064402 /nfs/dbraw/zinc/06/44/02/953064402.db2.gz VYMYXMCNXFEEMM-NEPJUHHUSA-N -1 1 382.432 1.041 20 0 GDADMM Cc1c[nH]nc1C(=O)N1CCC[C@H]([C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571207534 953064406 /nfs/dbraw/zinc/06/44/06/953064406.db2.gz VYMYXMCNXFEEMM-NEPJUHHUSA-N -1 1 382.432 1.041 20 0 GDADMM C[C@H](C(=O)N[C@]12CCC[C@@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2)C1CCC1 ZINC001571212067 953083783 /nfs/dbraw/zinc/08/37/83/953083783.db2.gz IEUURQVTXTZUMF-ODYMNIRHSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H](C(=O)N[C@]12CCC[C@@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2)C1CCC1 ZINC001571212067 953083788 /nfs/dbraw/zinc/08/37/88/953083788.db2.gz IEUURQVTXTZUMF-ODYMNIRHSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@H]1CC2(CN1C(=O)CC1CC1)CCN(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001571212070 953083810 /nfs/dbraw/zinc/08/38/10/953083810.db2.gz IHQDWRUNAHODKO-ZDUSSCGKSA-N -1 1 382.472 1.664 20 0 GDADMM C[C@H]1CC2(CN1C(=O)CC1CC1)CCN(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001571212070 953083813 /nfs/dbraw/zinc/08/38/13/953083813.db2.gz IHQDWRUNAHODKO-ZDUSSCGKSA-N -1 1 382.472 1.664 20 0 GDADMM CN(C[C@@H]1CCCN1C(=O)C1CC2(CCC2)C1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571212211 953085640 /nfs/dbraw/zinc/08/56/40/953085640.db2.gz JBVSUTAJVKGIIQ-AWEZNQCLSA-N -1 1 382.472 1.664 20 0 GDADMM CN(C[C@@H]1CCCN1C(=O)C1CC2(CCC2)C1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571212211 953085645 /nfs/dbraw/zinc/08/56/45/953085645.db2.gz JBVSUTAJVKGIIQ-AWEZNQCLSA-N -1 1 382.472 1.664 20 0 GDADMM C[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)C1CCC2(CC2)CC1 ZINC001571212995 953092455 /nfs/dbraw/zinc/09/24/55/953092455.db2.gz PGRZRIIVDVHVDA-TZMCWYRMSA-N -1 1 382.472 1.568 20 0 GDADMM CN(c1nccnc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001571213240 953093110 /nfs/dbraw/zinc/09/31/10/953093110.db2.gz PZDXRSZFLBSWJJ-LJISPDSOSA-N -1 1 382.472 1.520 20 0 GDADMM CN(c1nccnc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001571213240 953093112 /nfs/dbraw/zinc/09/31/12/953093112.db2.gz PZDXRSZFLBSWJJ-LJISPDSOSA-N -1 1 382.472 1.520 20 0 GDADMM C[C@H]1C[C@@H](NC(=O)C(C2CC2)C2CC2)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571213599 953096436 /nfs/dbraw/zinc/09/64/36/953096436.db2.gz SDJOSBRLBPXMNY-FZMZJTMJSA-N -1 1 382.472 1.566 20 0 GDADMM C[C@H]1C[C@@H](NC(=O)C(C2CC2)C2CC2)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571213599 953096441 /nfs/dbraw/zinc/09/64/41/953096441.db2.gz SDJOSBRLBPXMNY-FZMZJTMJSA-N -1 1 382.472 1.566 20 0 GDADMM CN(c1nccnc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)C2(C3CCC3)CCC2)C1 ZINC001571214415 953101420 /nfs/dbraw/zinc/10/14/20/953101420.db2.gz YLPUACVGEFIHMY-CQSZACIVSA-N -1 1 382.472 1.664 20 0 GDADMM CN(c1nccnc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)C2(C3CCC3)CCC2)C1 ZINC001571214415 953101422 /nfs/dbraw/zinc/10/14/22/953101422.db2.gz YLPUACVGEFIHMY-CQSZACIVSA-N -1 1 382.472 1.664 20 0 GDADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@H]1CCCN(C(=O)C2CC3(CCC3)C2)C1 ZINC001571214417 953101724 /nfs/dbraw/zinc/10/17/24/953101724.db2.gz YMSRRMQAOLTURM-AWEZNQCLSA-N -1 1 382.472 1.664 20 0 GDADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@H]1CCCN(C(=O)C2CC3(CCC3)C2)C1 ZINC001571214417 953101727 /nfs/dbraw/zinc/10/17/27/953101727.db2.gz YMSRRMQAOLTURM-AWEZNQCLSA-N -1 1 382.472 1.664 20 0 GDADMM C[C@H]1CN(C(=O)C23CCC(CC2)C3)CC[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571214465 953102459 /nfs/dbraw/zinc/10/24/59/953102459.db2.gz ZANXLVUFDJUOFW-TXCIGDHXSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@H]1CN(C(=O)C23CCC(CC2)C3)CC[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571214465 953102463 /nfs/dbraw/zinc/10/24/63/953102463.db2.gz ZANXLVUFDJUOFW-TXCIGDHXSA-N -1 1 382.472 1.886 20 0 GDADMM O=C(NC[C@@H]1CCCCCN1c1nccnc1-c1nnn[n-]1)[C@H]1CC12CCC2 ZINC001571217688 953110288 /nfs/dbraw/zinc/11/02/88/953110288.db2.gz IFCSCHYDBVMHFH-UONOGXRCSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(NC[C@@H]1CCCCCN1c1nccnc1-c1nn[n-]n1)[C@H]1CC12CCC2 ZINC001571217688 953110289 /nfs/dbraw/zinc/11/02/89/953110289.db2.gz IFCSCHYDBVMHFH-UONOGXRCSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(NC1CCN(c2nccnc2-c2nnn[n-]2)CC1)[C@@H]1CC2CCC1CC2 ZINC001571217717 953111029 /nfs/dbraw/zinc/11/10/29/953111029.db2.gz JBZXKUSNXDBSAS-SSDMNJCBSA-N -1 1 382.472 1.568 20 0 GDADMM O=C(NC1CCN(c2nccnc2-c2nn[n-]n2)CC1)[C@@H]1CC2CCC1CC2 ZINC001571217717 953111030 /nfs/dbraw/zinc/11/10/30/953111030.db2.gz JBZXKUSNXDBSAS-SSDMNJCBSA-N -1 1 382.472 1.568 20 0 GDADMM O=C([C@@H]1CC2CCC1CC2)N1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571218013 953112091 /nfs/dbraw/zinc/11/20/91/953112091.db2.gz KLLBWQYXHQWXFQ-PFSRBDOWSA-N -1 1 382.472 1.886 20 0 GDADMM O=C([C@@H]1CC2CCC1CC2)N1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571218013 953112092 /nfs/dbraw/zinc/11/20/92/953112092.db2.gz KLLBWQYXHQWXFQ-PFSRBDOWSA-N -1 1 382.472 1.886 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)C12CCC(CC1)C2 ZINC001571218762 953118771 /nfs/dbraw/zinc/11/87/71/953118771.db2.gz QMXDDUPFWSUTIA-AWTNTWDUSA-N -1 1 382.472 1.934 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)C12CCC(CC1)C2 ZINC001571218762 953118773 /nfs/dbraw/zinc/11/87/73/953118773.db2.gz QMXDDUPFWSUTIA-AWTNTWDUSA-N -1 1 382.472 1.934 20 0 GDADMM O=C(N[C@@H]1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@@H]2C1)C1CCCC1 ZINC001571218771 953118783 /nfs/dbraw/zinc/11/87/83/953118783.db2.gz QTMSQRRMFOFOGX-SOUVJXGZSA-N -1 1 382.472 1.568 20 0 GDADMM O=C(N[C@@H]1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@H]2C1)C1CCCC1 ZINC001571218771 953118785 /nfs/dbraw/zinc/11/87/85/953118785.db2.gz QTMSQRRMFOFOGX-SOUVJXGZSA-N -1 1 382.472 1.568 20 0 GDADMM O=C([C@@H]1CCCC2(CC2)C1)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571219092 953122107 /nfs/dbraw/zinc/12/21/07/953122107.db2.gz VBQYDVUSYNEMOV-UONOGXRCSA-N -1 1 382.472 1.888 20 0 GDADMM O=C([C@@H]1CCCC2(CC2)C1)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571219092 953122110 /nfs/dbraw/zinc/12/21/10/953122110.db2.gz VBQYDVUSYNEMOV-UONOGXRCSA-N -1 1 382.472 1.888 20 0 GDADMM O=C(NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001571219381 953125331 /nfs/dbraw/zinc/12/53/31/953125331.db2.gz YMADQDIBZQMNIE-AEGPPILISA-N -1 1 382.472 1.568 20 0 GDADMM O=C(NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001571219381 953125335 /nfs/dbraw/zinc/12/53/35/953125335.db2.gz YMADQDIBZQMNIE-AEGPPILISA-N -1 1 382.472 1.568 20 0 GDADMM CCN(CC1CCN(C(=O)c2ccon2)CC1)c1nccnc1-c1nnn[n-]1 ZINC001571222055 953130615 /nfs/dbraw/zinc/13/06/15/953130615.db2.gz AYZSTZVFMKQUEU-UHFFFAOYSA-N -1 1 383.416 1.023 20 0 GDADMM CCN(CC1CCN(C(=O)c2ccon2)CC1)c1nccnc1-c1nn[n-]n1 ZINC001571222055 953130619 /nfs/dbraw/zinc/13/06/19/953130619.db2.gz AYZSTZVFMKQUEU-UHFFFAOYSA-N -1 1 383.416 1.023 20 0 GDADMM CCc1oncc1C(=O)N1CCC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571222268 953133494 /nfs/dbraw/zinc/13/34/94/953133494.db2.gz BXLHHRYHRAGMQY-LLVKDONJSA-N -1 1 383.416 1.171 20 0 GDADMM CCc1oncc1C(=O)N1CCC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571222268 953133499 /nfs/dbraw/zinc/13/34/99/953133499.db2.gz BXLHHRYHRAGMQY-LLVKDONJSA-N -1 1 383.416 1.171 20 0 GDADMM CC(C)c1cc(C(=O)N2CCC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)no1 ZINC001571222283 953133547 /nfs/dbraw/zinc/13/35/47/953133547.db2.gz FZWGNUJDVJJFLY-LLVKDONJSA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1cc(C(=O)N2CCC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)no1 ZINC001571222283 953133549 /nfs/dbraw/zinc/13/35/49/953133549.db2.gz FZWGNUJDVJJFLY-LLVKDONJSA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1ocnc1C(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571222865 953139572 /nfs/dbraw/zinc/13/95/72/953139572.db2.gz MIXCJNVGPOOTMI-UHFFFAOYSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1ocnc1C(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571222865 953139574 /nfs/dbraw/zinc/13/95/74/953139574.db2.gz MIXCJNVGPOOTMI-UHFFFAOYSA-N -1 1 383.416 1.389 20 0 GDADMM CCCc1nc(C)c(C(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)o1 ZINC001571223210 953142337 /nfs/dbraw/zinc/14/23/37/953142337.db2.gz PXMNUGPAKAWYIO-LLVKDONJSA-N -1 1 383.416 1.232 20 0 GDADMM CCCc1nc(C)c(C(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)o1 ZINC001571223210 953142339 /nfs/dbraw/zinc/14/23/39/953142339.db2.gz PXMNUGPAKAWYIO-LLVKDONJSA-N -1 1 383.416 1.232 20 0 GDADMM CCc1nc(N[C@@H]2CN(C(=O)c3nocc3C)C[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571223302 953143224 /nfs/dbraw/zinc/14/32/24/953143224.db2.gz SPKGMHNSFOVAOB-JOYOIKCWSA-N -1 1 383.416 1.088 20 0 GDADMM CCc1nc(N[C@@H]2CN(C(=O)c3nocc3C)C[C@@H]2C)cc(-c2nn[n-]n2)n1 ZINC001571223302 953143225 /nfs/dbraw/zinc/14/32/25/953143225.db2.gz SPKGMHNSFOVAOB-JOYOIKCWSA-N -1 1 383.416 1.088 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CN(C(=O)c3cnco3)CC[C@@H]2C)n1 ZINC001571224750 953151171 /nfs/dbraw/zinc/15/11/71/953151171.db2.gz FNGYUPVWKAHXPS-JQWIXIFHSA-N -1 1 383.416 1.163 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CN(C(=O)c3cnco3)CC[C@@H]2C)n1 ZINC001571224750 953151173 /nfs/dbraw/zinc/15/11/73/953151173.db2.gz FNGYUPVWKAHXPS-JQWIXIFHSA-N -1 1 383.416 1.163 20 0 GDADMM Cc1nc(C)c(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)[C@H](C)C2)o1 ZINC001571226391 953155271 /nfs/dbraw/zinc/15/52/71/953155271.db2.gz PRKIKDCPSFFPPD-SKDRFNHKSA-N -1 1 383.416 1.049 20 0 GDADMM Cc1nc(C)c(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)[C@H](C)C2)o1 ZINC001571226391 953155274 /nfs/dbraw/zinc/15/52/74/953155274.db2.gz PRKIKDCPSFFPPD-SKDRFNHKSA-N -1 1 383.416 1.049 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H](CNc3cncc(-c4nnn[n-]4)n3)[C@@H](C)C2)on1 ZINC001571226415 953155463 /nfs/dbraw/zinc/15/54/63/953155463.db2.gz QJGWLJHMQURKQA-CMPLNLGQSA-N -1 1 383.416 1.163 20 0 GDADMM Cc1cc(C(=O)N2CC[C@H](CNc3cncc(-c4nn[n-]n4)n3)[C@@H](C)C2)on1 ZINC001571226415 953155464 /nfs/dbraw/zinc/15/54/64/953155464.db2.gz QJGWLJHMQURKQA-CMPLNLGQSA-N -1 1 383.416 1.163 20 0 GDADMM Cc1conc1C(=O)N1CCC([C@@H](C)Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001571226915 953157655 /nfs/dbraw/zinc/15/76/55/953157655.db2.gz WUELWEMQDNLFGK-LLVKDONJSA-N -1 1 383.416 1.306 20 0 GDADMM Cc1conc1C(=O)N1CCC([C@@H](C)Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001571226915 953157657 /nfs/dbraw/zinc/15/76/57/953157657.db2.gz WUELWEMQDNLFGK-LLVKDONJSA-N -1 1 383.416 1.306 20 0 GDADMM Cc1noc(C)c1C(=O)N[C@@H]1CC[C@@H](C)N(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571227136 953158478 /nfs/dbraw/zinc/15/84/78/953158478.db2.gz ZLLMRMOVXJOMIX-BXKDBHETSA-N -1 1 383.416 1.049 20 0 GDADMM Cc1noc(C)c1C(=O)N[C@@H]1CC[C@@H](C)N(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571227136 953158481 /nfs/dbraw/zinc/15/84/81/953158481.db2.gz ZLLMRMOVXJOMIX-BXKDBHETSA-N -1 1 383.416 1.049 20 0 GDADMM O=C(c1csc(C2CC2)n1)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571230257 953175440 /nfs/dbraw/zinc/17/54/40/953175440.db2.gz BLXDAPJVPQWWIH-JTQLQIEISA-N -1 1 383.441 1.317 20 0 GDADMM O=C(c1csc(C2CC2)n1)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571230257 953175443 /nfs/dbraw/zinc/17/54/43/953175443.db2.gz BLXDAPJVPQWWIH-JTQLQIEISA-N -1 1 383.441 1.317 20 0 GDADMM CC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571234606 953203721 /nfs/dbraw/zinc/20/37/21/953203721.db2.gz CYMRBSCUAATLOL-WDEREUQCSA-N -1 1 384.366 1.424 20 0 GDADMM CC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](CNc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571234606 953203722 /nfs/dbraw/zinc/20/37/22/953203722.db2.gz CYMRBSCUAATLOL-WDEREUQCSA-N -1 1 384.366 1.424 20 0 GDADMM O=C(CC(F)(F)F)N1CCCC[C@@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001571234629 953203735 /nfs/dbraw/zinc/20/37/35/953203735.db2.gz DPDFNAMURTXMKW-SNVBAGLBSA-N -1 1 384.366 1.792 20 0 GDADMM O=C(CC(F)(F)F)N1CCCC[C@@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001571234629 953203737 /nfs/dbraw/zinc/20/37/37/953203737.db2.gz DPDFNAMURTXMKW-SNVBAGLBSA-N -1 1 384.366 1.792 20 0 GDADMM CCO[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571234866 953205885 /nfs/dbraw/zinc/20/58/85/953205885.db2.gz LARMFIYPKDWVGI-JBDRJPRFSA-N -1 1 383.865 1.461 20 0 GDADMM CCO[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571234866 953205886 /nfs/dbraw/zinc/20/58/86/953205886.db2.gz LARMFIYPKDWVGI-JBDRJPRFSA-N -1 1 383.865 1.461 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)CC(F)(F)F)C[C@@H]2C)n1 ZINC001571234824 953206104 /nfs/dbraw/zinc/20/61/04/953206104.db2.gz JPJSONULYUIVHQ-WCBMZHEXSA-N -1 1 384.366 1.566 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)CC(F)(F)F)C[C@@H]2C)n1 ZINC001571234824 953206107 /nfs/dbraw/zinc/20/61/07/953206107.db2.gz JPJSONULYUIVHQ-WCBMZHEXSA-N -1 1 384.366 1.566 20 0 GDADMM CO[C@H](C(=O)N1CC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1)C1CC1 ZINC001571234974 953207516 /nfs/dbraw/zinc/20/75/16/953207516.db2.gz OKLGIYQBXVMGAN-WPRPVWTQSA-N -1 1 383.865 1.414 20 0 GDADMM CO[C@H](C(=O)N1CC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1)C1CC1 ZINC001571234974 953207518 /nfs/dbraw/zinc/20/75/18/953207518.db2.gz OKLGIYQBXVMGAN-WPRPVWTQSA-N -1 1 383.865 1.414 20 0 GDADMM O=S(=O)(N[C@@H]1COc2c1cccc2Cl)c1ccsc1-c1nn[n-]n1 ZINC001571235060 953208809 /nfs/dbraw/zinc/20/88/09/953208809.db2.gz RHMFZETWZXPHNT-SECBINFHSA-N -1 1 383.842 1.994 20 0 GDADMM O=C(N[C@H](CO)[C@H](O)C1CCCCC1)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001571241454 953246813 /nfs/dbraw/zinc/24/68/13/953246813.db2.gz ABCIDEYOUXBCMD-RHSMWYFYSA-N -1 1 384.440 1.380 20 0 GDADMM Cc1sccc1C(=O)NC[C@@H]1CCCN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001571244534 953264363 /nfs/dbraw/zinc/26/43/63/953264363.db2.gz AHBSZDHUBZGHLE-LBPRGKRZSA-N -1 1 384.469 1.734 20 0 GDADMM Cc1sccc1C(=O)NC[C@@H]1CCCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001571244534 953264365 /nfs/dbraw/zinc/26/43/65/953264365.db2.gz AHBSZDHUBZGHLE-LBPRGKRZSA-N -1 1 384.469 1.734 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)c(C)s1 ZINC001571244616 953264765 /nfs/dbraw/zinc/26/47/65/953264765.db2.gz CGIDGPVGLZVWKL-LBPRGKRZSA-N -1 1 384.469 1.734 20 0 GDADMM Cc1cc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)c(C)s1 ZINC001571244616 953264767 /nfs/dbraw/zinc/26/47/67/953264767.db2.gz CGIDGPVGLZVWKL-LBPRGKRZSA-N -1 1 384.469 1.734 20 0 GDADMM Cc1csc(C(=O)N2C[C@@H](C)[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)c1 ZINC001571244577 953264813 /nfs/dbraw/zinc/26/48/13/953264813.db2.gz BKYSMQCYCSEFPQ-ZWNOBZJWSA-N -1 1 384.469 1.908 20 0 GDADMM Cc1csc(C(=O)N2C[C@@H](C)[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)c1 ZINC001571244577 953264817 /nfs/dbraw/zinc/26/48/17/953264817.db2.gz BKYSMQCYCSEFPQ-ZWNOBZJWSA-N -1 1 384.469 1.908 20 0 GDADMM CCc1ccc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@H]2C)s1 ZINC001571244589 953264958 /nfs/dbraw/zinc/26/49/58/953264958.db2.gz BPYDZHCOAFIRIJ-ZYHUDNBSSA-N -1 1 384.469 1.996 20 0 GDADMM CCc1ccc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@H]2C)s1 ZINC001571244589 953264961 /nfs/dbraw/zinc/26/49/61/953264961.db2.gz BPYDZHCOAFIRIJ-ZYHUDNBSSA-N -1 1 384.469 1.996 20 0 GDADMM Cc1ccc(CC(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)s1 ZINC001571244669 953265899 /nfs/dbraw/zinc/26/58/99/953265899.db2.gz DIZYBCOONHBJFL-GFCCVEGCSA-N -1 1 384.469 1.354 20 0 GDADMM Cc1ccc(CC(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)s1 ZINC001571244669 953265902 /nfs/dbraw/zinc/26/59/02/953265902.db2.gz DIZYBCOONHBJFL-GFCCVEGCSA-N -1 1 384.469 1.354 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)Cc3cccs3)C2)n1 ZINC001571244816 953267555 /nfs/dbraw/zinc/26/75/55/953267555.db2.gz JMYQIIJSIYMAFM-NSHDSACASA-N -1 1 384.469 1.218 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)Cc3cccs3)C2)n1 ZINC001571244816 953267558 /nfs/dbraw/zinc/26/75/58/953267558.db2.gz JMYQIIJSIYMAFM-NSHDSACASA-N -1 1 384.469 1.218 20 0 GDADMM Cc1nsc(NC[C@H]2CCN(C(=O)c3ccncc3C)C2)c1-c1nn[n-]n1 ZINC001571244820 953267595 /nfs/dbraw/zinc/26/75/95/953267595.db2.gz JPTBLLQMACFCQF-GFCCVEGCSA-N -1 1 384.469 1.909 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)[C@H](C)c3cccs3)C2)n1 ZINC001571245269 953272561 /nfs/dbraw/zinc/27/25/61/953272561.db2.gz RCDFMRBNJKHRLA-NEPJUHHUSA-N -1 1 384.469 1.525 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)[C@H](C)c3cccs3)C2)n1 ZINC001571245269 953272563 /nfs/dbraw/zinc/27/25/63/953272563.db2.gz RCDFMRBNJKHRLA-NEPJUHHUSA-N -1 1 384.469 1.525 20 0 GDADMM Cc1ccsc1C(=O)N1C[C@H](C)[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571245588 953275508 /nfs/dbraw/zinc/27/55/08/953275508.db2.gz WBOZAJPJKPSTGB-RYUDHWBXSA-N -1 1 384.469 1.847 20 0 GDADMM Cc1ccsc1C(=O)N1C[C@H](C)[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571245588 953275509 /nfs/dbraw/zinc/27/55/09/953275509.db2.gz WBOZAJPJKPSTGB-RYUDHWBXSA-N -1 1 384.469 1.847 20 0 GDADMM CCN(C(=O)c1cc(C)cs1)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571245777 953276553 /nfs/dbraw/zinc/27/65/53/953276553.db2.gz YVLNDNLZZQPYHI-GFCCVEGCSA-N -1 1 384.469 1.768 20 0 GDADMM CCN(C(=O)c1cc(C)cs1)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571245777 953276556 /nfs/dbraw/zinc/27/65/56/953276556.db2.gz YVLNDNLZZQPYHI-GFCCVEGCSA-N -1 1 384.469 1.768 20 0 GDADMM Cc1scc(C(=O)N2C[C@H](Nc3nccnc3-c3nnn[n-]3)[C@@H](C)C2)c1C ZINC001571247813 953286347 /nfs/dbraw/zinc/28/63/47/953286347.db2.gz FMUDNQDBWGXALN-ZANVPECISA-N -1 1 384.469 1.908 20 0 GDADMM Cc1scc(C(=O)N2C[C@H](Nc3nccnc3-c3nn[n-]n3)[C@@H](C)C2)c1C ZINC001571247813 953286350 /nfs/dbraw/zinc/28/63/50/953286350.db2.gz FMUDNQDBWGXALN-ZANVPECISA-N -1 1 384.469 1.908 20 0 GDADMM O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccns1 ZINC001571248207 953290981 /nfs/dbraw/zinc/29/09/81/953290981.db2.gz NKFMVPBOHOAZLC-HUUCEWRRSA-N -1 1 384.469 1.530 20 0 GDADMM O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1ccns1 ZINC001571248207 953290984 /nfs/dbraw/zinc/29/09/84/953290984.db2.gz NKFMVPBOHOAZLC-HUUCEWRRSA-N -1 1 384.469 1.530 20 0 GDADMM O=C(CCc1cccs1)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571248475 953293613 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KSVIYRGATCMVTG-HNNXBMFYSA-N -1 1 379.457 1.906 20 0 GDADMM Cc1ccc([C@@H](CNC(=O)NCC2(C(=O)[O-])CCOCC2)N2CCCC2)o1 ZINC000646150211 975349841 /nfs/dbraw/zinc/34/98/41/975349841.db2.gz KSVIYRGATCMVTG-OAHLLOKOSA-N -1 1 379.457 1.906 20 0 GDADMM O=C([O-])c1cccc(NC(=O)C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)c1 ZINC000647478809 975365573 /nfs/dbraw/zinc/36/55/73/975365573.db2.gz HJDLYJUWBZZSPC-INIZCTEOSA-N -1 1 375.425 1.037 20 0 GDADMM CCN(CC)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccsc1 ZINC000647580420 975367928 /nfs/dbraw/zinc/36/79/28/975367928.db2.gz NNIIVUKOSQTMCY-CFVMTHIKSA-N -1 1 381.498 1.617 20 0 GDADMM CC(C)OCCN1CCC(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)CC1 ZINC001591724708 975672545 /nfs/dbraw/zinc/67/25/45/975672545.db2.gz GQOSOENOURAYIT-UHFFFAOYSA-N -1 1 384.498 1.481 20 0 GDADMM CC(C)[C@@H](NCC(=O)Nc1ccc(I)cc1)C(=O)[O-] ZINC001591836746 976109124 /nfs/dbraw/zinc/10/91/24/976109124.db2.gz CNVQZNMKRCHEMN-GFCCVEGCSA-N -1 1 376.194 1.929 20 0 GDADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)C2CCC(NC(=O)C(C)(C)C)CC2)CC1 ZINC001592406881 977987876 /nfs/dbraw/zinc/98/78/76/977987876.db2.gz ZKYIFTLJFAFNKE-FHERZECASA-N -1 1 381.517 1.715 20 0 GDADMM CC[C@H]1CN(CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)CC[N@H+]1C[C@H](C)O ZINC000736943231 978368775 /nfs/dbraw/zinc/36/87/75/978368775.db2.gz KJKUWWVQCZCZMO-STQMWFEESA-N -1 1 395.525 1.651 20 0 GDADMM CC[C@H]1CN(CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)CCN1C[C@H](C)O ZINC000736943231 978368783 /nfs/dbraw/zinc/36/87/83/978368783.db2.gz KJKUWWVQCZCZMO-STQMWFEESA-N -1 1 395.525 1.651 20 0 GDADMM C[C@H](Cn1c(CC2CC2)nnc1N1CCC(C(=O)[O-])CC1)CN1CCOCC1 ZINC001592624587 978600001 /nfs/dbraw/zinc/60/00/01/978600001.db2.gz QSRMDZQXUPZNJT-HNNXBMFYSA-N -1 1 391.516 1.500 20 0 GDADMM CC[C@@H](C)c1nc([C@@H](C)NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)n[nH]1 ZINC001595015939 979068317 /nfs/dbraw/zinc/06/83/17/979068317.db2.gz PVJBNRGPXVSDLF-GHMZBOCLSA-N -1 1 382.442 1.821 20 0 GDADMM C[C@H](Cc1ccccc1Cl)C(=O)N(CCN1CCN(C)CC1)CC(=O)[O-] ZINC001592891882 979786195 /nfs/dbraw/zinc/78/61/95/979786195.db2.gz SBXLKBWUEALJSA-OAHLLOKOSA-N -1 1 381.904 1.679 20 0 GDADMM C[C@@H](Cc1ccccc1Cl)C(=O)N(CCN1CCN(C)CC1)CC(=O)[O-] ZINC001592891880 979786307 /nfs/dbraw/zinc/78/63/07/979786307.db2.gz SBXLKBWUEALJSA-HNNXBMFYSA-N -1 1 381.904 1.679 20 0 GDADMM CNS(=O)(=O)c1ccc(N2CCN(Cc3cccc(C(=O)[O-])c3)CC2)cc1 ZINC000883410953 980205529 /nfs/dbraw/zinc/20/55/29/980205529.db2.gz NDAXTBCBRRHEBC-UHFFFAOYSA-N -1 1 389.477 1.615 20 0 GDADMM O=C([O-])c1cccc2c(CN3CCC[C@H](N4CCCS4(=O)=O)C3)ccnc12 ZINC000901465502 980299895 /nfs/dbraw/zinc/29/98/95/980299895.db2.gz CJQBGDIHFSJSOA-HNNXBMFYSA-N -1 1 389.477 1.933 20 0 GDADMM CCC[C@@H](C(=O)OCC)N1C[C@H](C(=O)[O-])C2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001595539082 981396006 /nfs/dbraw/zinc/39/60/06/981396006.db2.gz XUDITFVUMCJUHC-KGLIPLIRSA-N -1 1 384.473 1.972 20 0 GDADMM O=C([O-])c1cccc(CCNC(=O)CCN2CCN(c3ccccn3)CC2)c1 ZINC000909464822 981501858 /nfs/dbraw/zinc/50/18/58/981501858.db2.gz QEFJTRGHMJBGJE-UHFFFAOYSA-N -1 1 382.464 1.651 20 0 GDADMM CCC[C@H](C)NC(=O)[C@H]1CCCN(CC(=O)NC2(C(=O)[O-])CCCCC2)C1 ZINC001595580354 981516333 /nfs/dbraw/zinc/51/63/33/981516333.db2.gz FEJNDXXGHCJQGU-HOTGVXAUSA-N -1 1 381.517 1.907 20 0 GDADMM C[C@H](NC(=O)CCN1CCN(c2ccccn2)CC1)c1ncc(C(=O)[O-])s1 ZINC000910161695 981769337 /nfs/dbraw/zinc/76/93/37/981769337.db2.gz ZMBXNKUZTUKYGT-ZDUSSCGKSA-N -1 1 389.481 1.626 20 0 GDADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Cc2ccccc2O[C@@H]2CCOC2)CC1 ZINC000910176110 981774460 /nfs/dbraw/zinc/77/44/60/981774460.db2.gz YBSSTHSVBPQDAO-DOTOQJQBSA-N -1 1 376.453 1.404 20 0 GDADMM CN1CCN(Cc2cccc(C(=O)N[C@@H](C[C@@H]3CCCOC3)C(=O)[O-])c2)CC1 ZINC000910238181 981803976 /nfs/dbraw/zinc/80/39/76/981803976.db2.gz YESINLINUJYDEK-HKUYNNGSSA-N -1 1 389.496 1.434 20 0 GDADMM CN(C)Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2C(=O)[O-])cn1 ZINC000911148572 982257272 /nfs/dbraw/zinc/25/72/72/982257272.db2.gz CWIWTOBGYNANPZ-UHFFFAOYSA-N -1 1 384.436 1.930 20 0 GDADMM CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1 ZINC001595867816 982841687 /nfs/dbraw/zinc/84/16/87/982841687.db2.gz ZQZIFEFUZPLGRW-CQSZACIVSA-N -1 1 388.468 1.643 20 0 GDADMM CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1 ZINC001595867816 982841700 /nfs/dbraw/zinc/84/17/00/982841700.db2.gz ZQZIFEFUZPLGRW-CQSZACIVSA-N -1 1 388.468 1.643 20 0 GDADMM CC[C@H](C)c1ccc(S(=O)(=O)N(CCN2CCN(C)CC2)CC(=O)[O-])cc1 ZINC001595010477 982940350 /nfs/dbraw/zinc/94/03/50/982940350.db2.gz RDEORPIEWSGLBQ-INIZCTEOSA-N -1 1 397.541 1.523 20 0 GDADMM COc1ccc([C@@H]2C[C@H]2CC(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)cc1 ZINC001118973529 982971182 /nfs/dbraw/zinc/97/11/82/982971182.db2.gz UNXWERYAFGSDIS-MDKPJZGXSA-N -1 1 388.464 1.577 20 0 GDADMM CCN(C)Cc1cc(O[C@H]2CCN(C(=O)c3cnc(C(=O)[O-])cn3)C2)ccn1 ZINC001596193286 983574255 /nfs/dbraw/zinc/57/42/55/983574255.db2.gz SOIZAOAJJONYLJ-HNNXBMFYSA-N -1 1 385.424 1.315 20 0 GDADMM CCN(CC)C(=O)C1(NCN2C(=O)N[C@@](C)(CCC(=O)[O-])C2=O)CCCCC1 ZINC001596241310 983640035 /nfs/dbraw/zinc/64/00/35/983640035.db2.gz IARQWUVRDABYGV-SFHVURJKSA-N -1 1 396.488 1.280 20 0 GDADMM CC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1OC ZINC001596423956 984065298 /nfs/dbraw/zinc/06/52/98/984065298.db2.gz FCMYFDBMZMNCQD-LBPRGKRZSA-N -1 1 386.470 1.555 20 0 GDADMM CCN1CCCC[C@H]1CNS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1OC ZINC001596423956 984065307 /nfs/dbraw/zinc/06/53/07/984065307.db2.gz FCMYFDBMZMNCQD-LBPRGKRZSA-N -1 1 386.470 1.555 20 0 GDADMM CCN1CCN(c2ccccc2NS(=O)(=O)CC2(C(=O)[O-])CCC2)CC1 ZINC001596442949 984141620 /nfs/dbraw/zinc/14/16/20/984141620.db2.gz XBEJPGLZQSMEKZ-UHFFFAOYSA-N -1 1 381.498 1.825 20 0 GDADMM CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)N[C@@H](Cc2ccccc2)C(=O)[O-])C1 ZINC001596574260 984472298 /nfs/dbraw/zinc/47/22/98/984472298.db2.gz OGBWNMQAUQLJRE-UAGQMJEPSA-N -1 1 376.453 1.462 20 0 GDADMM CCOC(=O)[C@@H]1CN(Cc2cc(C(=O)[O-])cc(C(=O)OC)c2)CC12COC2 ZINC001596585215 984508871 /nfs/dbraw/zinc/50/88/71/984508871.db2.gz JYDSUHGZNUZGDJ-HNNXBMFYSA-N -1 1 377.393 1.183 20 0 GDADMM CCOC(=O)N1[C@@H](C(=O)N2CCN(CC(=O)[O-])CC2)CC[C@H]1c1ccc(C)o1 ZINC001596643364 984643921 /nfs/dbraw/zinc/64/39/21/984643921.db2.gz UEYLELCNJHSBQH-LSDHHAIUSA-N -1 1 393.440 1.479 20 0 GDADMM CCOC(=O)c1c(C)[nH]nc1CN(CC(=O)[O-])Cc1cc(OC)cc(OC)c1 ZINC001596696667 984841012 /nfs/dbraw/zinc/84/10/12/984841012.db2.gz MYIFAVCKNFWXTE-UHFFFAOYSA-N -1 1 391.424 1.999 20 0 GDADMM CC(=O)N1CCC(NC(=O)CN[C@](C)(CC(=O)[O-])c2cccc(F)c2)CC1 ZINC001589065214 985194770 /nfs/dbraw/zinc/19/47/70/985194770.db2.gz MYASBVKDTVQULP-LJQANCHMSA-N -1 1 379.432 1.232 20 0 GDADMM C[C@H]1CN(CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)C[C@@H](C(=O)[O-])O1 ZINC001599927401 985226669 /nfs/dbraw/zinc/22/66/69/985226669.db2.gz KAFLDRLFWHTIBF-UFBFGSQYSA-N -1 1 386.330 1.694 20 0 GDADMM CC(=O)N1c2ccc(S(=O)(=O)Nc3cccc(C(=O)[O-])n3)cc2C[C@@H]1C ZINC001589098304 985299657 /nfs/dbraw/zinc/29/96/57/985299657.db2.gz BKYZOXZCQBUIPU-JTQLQIEISA-N -1 1 375.406 1.878 20 0 GDADMM CC(=O)N[C@H](CC(=O)N1CCN(CCC(=O)[O-])[C@@H](C)C1)c1c(F)cccc1F ZINC001589107542 985340653 /nfs/dbraw/zinc/34/06/53/985340653.db2.gz MNTALTVAIIVOKB-BLLLJJGKSA-N -1 1 397.422 1.540 20 0 GDADMM C[C@H]1CN(C(=O)[C@]2(C)CCCN2C(=O)OC(C)(C)C)CCN1CCC(=O)[O-] ZINC001594486652 985567478 /nfs/dbraw/zinc/56/74/78/985567478.db2.gz UYSUAHCSGXSEHN-LIRRHRJNSA-N -1 1 383.489 1.783 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(NCCn3ccnc3)cc2)CCN1CCC(=O)[O-] ZINC001594493884 985620952 /nfs/dbraw/zinc/62/09/52/985620952.db2.gz YWSAOIBZNAXFGA-MRXNPFEDSA-N -1 1 385.468 1.616 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccn3cc(C(F)(F)F)nc3c2)CCN1CCC(=O)[O-] ZINC001594494296 985624545 /nfs/dbraw/zinc/62/45/45/985624545.db2.gz OJQUNUTZZAEWAC-LLVKDONJSA-N -1 1 384.358 1.974 20 0 GDADMM C[C@H]1CN(C(=O)c2n[nH]c3ccc(Br)cc32)CCN1CCC(=O)[O-] ZINC001594496473 985644512 /nfs/dbraw/zinc/64/45/12/985644512.db2.gz PKRHAZCFNKAQCC-JTQLQIEISA-N -1 1 395.257 1.946 20 0 GDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)Cc1ccc(Br)cc1O ZINC001594514735 985851815 /nfs/dbraw/zinc/85/18/15/985851815.db2.gz BRJFTBLOZMCAHY-LLVKDONJSA-N -1 1 385.258 1.705 20 0 GDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)CCC(=O)N1CCc2sccc2C1 ZINC001594515255 985869223 /nfs/dbraw/zinc/86/92/23/985869223.db2.gz MNWIVPWUDUVZLZ-CQSZACIVSA-N -1 1 393.509 1.420 20 0 GDADMM C[C@H]1C[C@@H](NC(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)C(=O)N1c1ccccc1 ZINC001594515904 985888387 /nfs/dbraw/zinc/88/83/87/985888387.db2.gz KRDVELIIDCOXJR-ZMSDIMECSA-N -1 1 388.468 1.371 20 0 GDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)CC(F)(F)CNC(=O)OC(C)(C)C ZINC001594516077 985891892 /nfs/dbraw/zinc/89/18/92/985891892.db2.gz SEMWOLWDHFMOBP-GFCCVEGCSA-N -1 1 393.431 1.544 20 0 GDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NC1CCN(C(=O)c2ccoc2)CC1 ZINC001594516201 985896713 /nfs/dbraw/zinc/89/67/13/985896713.db2.gz MVVALPHVIOFNPP-AWEZNQCLSA-N -1 1 392.456 1.075 20 0 GDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)Cn1nc(C(F)(F)F)c2c1CCC2 ZINC001594516479 985906134 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392.319 1.975 20 0 GDADMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000332924576 532213329 /nfs/dbraw/zinc/21/33/29/532213329.db2.gz ZMZJSSJXWZHLKT-STQMWFEESA-N -1 1 387.527 1.768 20 0 GDADMM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1nc(C)n(C)c1Br)[C@H](C)CC ZINC000287622030 532228660 /nfs/dbraw/zinc/22/86/60/532228660.db2.gz AVMDRBGFBOCWCW-SCZZXKLOSA-N -1 1 396.307 1.747 20 0 GDADMM Cc1csc([C@@](O)(CC(=O)N(C)C[C@H](C)c2nn[n-]n2)C(F)(F)F)n1 ZINC000274755222 532230664 /nfs/dbraw/zinc/23/06/64/532230664.db2.gz IIYBANGGLMPWMV-MADCSZMMSA-N -1 1 378.380 1.367 20 0 GDADMM COc1cc(C)c(S(=O)(=O)N2CC[N@H+]3CCC[C@@H]3[C@H]2C(=O)[O-])cc1Cl ZINC000377153344 532244601 /nfs/dbraw/zinc/24/46/01/532244601.db2.gz UAYFYQIIWCQUMP-DOMZBBRYSA-N -1 1 388.873 1.579 20 0 GDADMM COc1cc(C)c(S(=O)(=O)N2CCN3CCC[C@@H]3[C@H]2C(=O)[O-])cc1Cl ZINC000377153344 532244603 /nfs/dbraw/zinc/24/46/03/532244603.db2.gz UAYFYQIIWCQUMP-DOMZBBRYSA-N -1 1 388.873 1.579 20 0 GDADMM O=C(NC1(c2nn[n-]n2)CC1)C1(c2ccc(Br)cc2)CCOCC1 ZINC000430321918 532247106 /nfs/dbraw/zinc/24/71/06/532247106.db2.gz ZZGBVIXUDORJFW-UHFFFAOYSA-N -1 1 392.257 1.816 20 0 GDADMM O=C([O-])C[N@H+]1CCCN(S(=O)(=O)c2ccc3nc(Cl)ccc3c2)CC1 ZINC000275269506 532282648 /nfs/dbraw/zinc/28/26/48/532282648.db2.gz JUZDERDSUPFJCX-UHFFFAOYSA-N -1 1 383.857 1.669 20 0 GDADMM O=C([O-])CN1CCCN(S(=O)(=O)c2ccc3nc(Cl)ccc3c2)CC1 ZINC000275269506 532282652 /nfs/dbraw/zinc/28/26/52/532282652.db2.gz JUZDERDSUPFJCX-UHFFFAOYSA-N -1 1 383.857 1.669 20 0 GDADMM CSc1ccc(S(=O)(=O)N2CCC[N@@H+](CC(=O)[O-])CC2)cc1Cl ZINC000275270885 532282720 /nfs/dbraw/zinc/28/27/20/532282720.db2.gz JXAOVBFCLJTHQY-UHFFFAOYSA-N -1 1 378.903 1.843 20 0 GDADMM CSc1ccc(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)cc1Cl ZINC000275270885 532282726 /nfs/dbraw/zinc/28/27/26/532282726.db2.gz JXAOVBFCLJTHQY-UHFFFAOYSA-N -1 1 378.903 1.843 20 0 GDADMM Cc1nc(S(=O)(=O)[N-]Cc2ccc(CO)c(F)c2)c(Br)n1C ZINC000288386241 532287022 /nfs/dbraw/zinc/28/70/22/532287022.db2.gz ZXRYKMVXYYABRG-UHFFFAOYSA-N -1 1 392.250 1.601 20 0 GDADMM CCc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCC=C(C)C2)c1C ZINC000349455054 532287883 /nfs/dbraw/zinc/28/78/83/532287883.db2.gz GVWLWVPKVQRQKL-UHFFFAOYSA-N -1 1 390.531 1.394 20 0 GDADMM CC1(C)CCN(S(=O)(=O)CCCS(=O)(=O)[N-]CC(F)F)CCS1 ZINC000349453853 532288279 /nfs/dbraw/zinc/28/82/79/532288279.db2.gz FWMSBOLNJYSWAG-UHFFFAOYSA-N -1 1 394.531 1.108 20 0 GDADMM CS(=O)(=O)Nc1ccccc1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000390246846 532297706 /nfs/dbraw/zinc/29/77/06/532297706.db2.gz VVIFISBMZHATHU-UHFFFAOYSA-N -1 1 376.437 1.619 20 0 GDADMM CC(C)(CS(C)(=O)=O)[N-]S(=O)(=O)c1sccc1Br ZINC000393625235 532300954 /nfs/dbraw/zinc/30/09/54/532300954.db2.gz LPPHERGRQDLDLW-UHFFFAOYSA-N -1 1 376.319 1.612 20 0 GDADMM O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1nc(Br)ccc1[O-] ZINC000275842145 532311894 /nfs/dbraw/zinc/31/18/94/532311894.db2.gz JPULOPVXPQLIIR-UHFFFAOYSA-N -1 1 397.229 1.743 20 0 GDADMM O=C([O-])CCOc1ccc(NS(=O)(=O)c2ccccc2-c2nn[nH]n2)cc1 ZINC000738212669 598845966 /nfs/dbraw/zinc/84/59/66/598845966.db2.gz YNGFPNNDIKLSMH-UHFFFAOYSA-N -1 1 389.393 1.521 20 0 GDADMM Cc1ocnc1C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000737556832 598846723 /nfs/dbraw/zinc/84/67/23/598846723.db2.gz OOSPYRQGIGYZDE-UHFFFAOYSA-N -1 1 394.351 1.144 20 0 GDADMM Cc1ocnc1C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737556832 598846725 /nfs/dbraw/zinc/84/67/25/598846725.db2.gz OOSPYRQGIGYZDE-UHFFFAOYSA-N -1 1 394.351 1.144 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC000737546245 598848814 /nfs/dbraw/zinc/84/88/14/598848814.db2.gz BWFVKNGUWIYFMV-SNVBAGLBSA-N -1 1 396.329 1.962 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC000737546245 598848815 /nfs/dbraw/zinc/84/88/15/598848815.db2.gz BWFVKNGUWIYFMV-SNVBAGLBSA-N -1 1 396.329 1.962 20 0 GDADMM C[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ncc(-c2ccccc2)o1 ZINC000736140482 598855382 /nfs/dbraw/zinc/85/53/82/598855382.db2.gz WRCUPJRANWTCGR-JTQLQIEISA-N -1 1 394.395 1.092 20 0 GDADMM C[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ncc(-c2ccccc2)o1 ZINC000736140485 598855408 /nfs/dbraw/zinc/85/54/08/598855408.db2.gz WRCUPJRANWTCGR-SNVBAGLBSA-N -1 1 394.395 1.092 20 0 GDADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(Cc2cc(C)nc3ccccc23)c1 ZINC000736942032 598892226 /nfs/dbraw/zinc/89/22/26/598892226.db2.gz XYFVICSQZJJCPQ-UHFFFAOYSA-N -1 1 376.376 1.720 20 0 GDADMM COC1CN(C(=O)C2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)C1 ZINC000736966532 598892993 /nfs/dbraw/zinc/89/29/93/598892993.db2.gz SUTRMCGTTDGYQR-UHFFFAOYSA-N -1 1 399.411 1.188 20 0 GDADMM O=C(O[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738214868 598901794 /nfs/dbraw/zinc/90/17/94/598901794.db2.gz OCKWZJOADLJIAS-AWEZNQCLSA-N -1 1 384.783 1.877 20 0 GDADMM O=C(O[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738214868 598901795 /nfs/dbraw/zinc/90/17/95/598901795.db2.gz OCKWZJOADLJIAS-AWEZNQCLSA-N -1 1 384.783 1.877 20 0 GDADMM CC(C)(CNC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)C(N)=O ZINC000735670867 598905548 /nfs/dbraw/zinc/90/55/48/598905548.db2.gz WVKVJHVHDOZYEI-UHFFFAOYSA-N -1 1 399.480 1.906 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCc1cc(C(C)C)no1 ZINC000737199761 598909444 /nfs/dbraw/zinc/90/94/44/598909444.db2.gz JDCIGSRVCVJINS-UHFFFAOYSA-N -1 1 385.428 1.945 20 0 GDADMM Cc1cc(Oc2ncccc2-c2nn[n-]n2)ccc1NS(=O)(=O)N(C)C ZINC000737280389 598924205 /nfs/dbraw/zinc/92/42/05/598924205.db2.gz RBZXAYPKLHCXBS-UHFFFAOYSA-N -1 1 375.414 1.581 20 0 GDADMM Cc1cc(CN2CCN(c3c4ccccc4nnc3-c3nnn[n-]3)CC2)on1 ZINC000737261558 598934883 /nfs/dbraw/zinc/93/48/83/598934883.db2.gz GGDJOPRXBNSTIJ-UHFFFAOYSA-N -1 1 377.412 1.429 20 0 GDADMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc2oc(=O)n(C)c2c1 ZINC000737225850 598949174 /nfs/dbraw/zinc/94/91/74/598949174.db2.gz UZWMCNLOVUQPEB-UHFFFAOYSA-N -1 1 386.393 1.421 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)NC[C@@H](C)C[C@@H](C)O)c1-c1nn[n-]n1 ZINC000737189806 598952234 /nfs/dbraw/zinc/95/22/34/598952234.db2.gz QPSUMLVBFCCWRS-VHSXEESVSA-N -1 1 376.486 1.998 20 0 GDADMM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)cccc1-c1nn[nH]n1 ZINC000822130744 607255233 /nfs/dbraw/zinc/25/52/33/607255233.db2.gz YJPFKTFBCQSTCT-UHFFFAOYSA-N -1 1 384.421 1.495 20 0 GDADMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2N1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000738437714 598964146 /nfs/dbraw/zinc/96/41/46/598964146.db2.gz UDBPNCSDPHXAQF-CYBMUJFWSA-N -1 1 391.395 1.648 20 0 GDADMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2N1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000738437714 598964148 /nfs/dbraw/zinc/96/41/48/598964148.db2.gz UDBPNCSDPHXAQF-CYBMUJFWSA-N -1 1 391.395 1.648 20 0 GDADMM FC(F)C(F)(F)CN1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000737639668 598970123 /nfs/dbraw/zinc/97/01/23/598970123.db2.gz VHDVALNPDCWZJH-UHFFFAOYSA-N -1 1 396.352 1.832 20 0 GDADMM FC(F)C(F)(F)CN1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000737639668 598970124 /nfs/dbraw/zinc/97/01/24/598970124.db2.gz VHDVALNPDCWZJH-UHFFFAOYSA-N -1 1 396.352 1.832 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(Nc2cccc(N3CCCCCC3)c2)n(C)c1=O ZINC000737596352 598975612 /nfs/dbraw/zinc/97/56/12/598975612.db2.gz MOVREYQKERFBTA-UHFFFAOYSA-N -1 1 396.455 1.388 20 0 GDADMM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)nc1)Nc1ccc(F)c(F)c1F ZINC000737892005 598982218 /nfs/dbraw/zinc/98/22/18/598982218.db2.gz QJRVAQCPSSPICC-UHFFFAOYSA-N -1 1 377.286 1.048 20 0 GDADMM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)nc1)Nc1ccc(F)c(F)c1F ZINC000737892005 598982220 /nfs/dbraw/zinc/98/22/20/598982220.db2.gz QJRVAQCPSSPICC-UHFFFAOYSA-N -1 1 377.286 1.048 20 0 GDADMM NC(=O)c1cc(-c2csc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)n2)c[nH]1 ZINC000737756137 598986795 /nfs/dbraw/zinc/98/67/95/598986795.db2.gz SMSNKVNPYUURTB-UHFFFAOYSA-N -1 1 381.381 1.065 20 0 GDADMM NC(=O)c1cc(-c2csc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)n2)c[nH]1 ZINC000737756137 598986796 /nfs/dbraw/zinc/98/67/96/598986796.db2.gz SMSNKVNPYUURTB-UHFFFAOYSA-N -1 1 381.381 1.065 20 0 GDADMM O=C(Nc1ccc(CN2C(=O)CSC2=O)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738158303 599001045 /nfs/dbraw/zinc/00/10/45/599001045.db2.gz DMPXNMMVUDKXPD-UHFFFAOYSA-N -1 1 395.404 1.709 20 0 GDADMM O=C(Nc1ccc(CN2C(=O)CSC2=O)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738158303 599001047 /nfs/dbraw/zinc/00/10/47/599001047.db2.gz DMPXNMMVUDKXPD-UHFFFAOYSA-N -1 1 395.404 1.709 20 0 GDADMM CCO[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C12CCCC2 ZINC000736611134 599009295 /nfs/dbraw/zinc/00/92/95/599009295.db2.gz IUCGCGJMOBGAIP-HUUCEWRRSA-N -1 1 392.485 1.620 20 0 GDADMM CCO[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C12CCCC2 ZINC000736611134 599009297 /nfs/dbraw/zinc/00/92/97/599009297.db2.gz IUCGCGJMOBGAIP-HUUCEWRRSA-N -1 1 392.485 1.620 20 0 GDADMM CC[C@H]1COCCN1C(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000736410505 599018617 /nfs/dbraw/zinc/01/86/17/599018617.db2.gz YEUQJNSIGKLILA-ZDUSSCGKSA-N -1 1 384.444 1.096 20 0 GDADMM CC[C@H]1COCCN1C(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000736410505 599018619 /nfs/dbraw/zinc/01/86/19/599018619.db2.gz YEUQJNSIGKLILA-ZDUSSCGKSA-N -1 1 384.444 1.096 20 0 GDADMM O=C(NC1CCCCC1)NC1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000738022531 599025663 /nfs/dbraw/zinc/02/56/63/599025663.db2.gz DPCYKRSPGQKRJU-UHFFFAOYSA-N -1 1 398.471 1.498 20 0 GDADMM O=C(NC1CCCCC1)NC1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000738022531 599025665 /nfs/dbraw/zinc/02/56/65/599025665.db2.gz DPCYKRSPGQKRJU-UHFFFAOYSA-N -1 1 398.471 1.498 20 0 GDADMM Cc1cc(C)n2nc(CCCOC(=O)c3sccc3-c3nn[n-]n3)nc2n1 ZINC000737257257 599026969 /nfs/dbraw/zinc/02/69/69/599026969.db2.gz TWOAWBAYSFUJQJ-UHFFFAOYSA-N -1 1 384.425 1.772 20 0 GDADMM COc1ccccc1N1CC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000737152717 599028179 /nfs/dbraw/zinc/02/81/79/599028179.db2.gz NYRGNRMECOSCKL-CYBMUJFWSA-N -1 1 379.424 1.527 20 0 GDADMM COc1ccccc1N1CC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000737152717 599028180 /nfs/dbraw/zinc/02/81/80/599028180.db2.gz NYRGNRMECOSCKL-CYBMUJFWSA-N -1 1 379.424 1.527 20 0 GDADMM CN(C(=O)c1ccc(-c2nnn[n-]2)nc1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000736746974 599030805 /nfs/dbraw/zinc/03/08/05/599030805.db2.gz CZZGOEZOPHBICD-HNNXBMFYSA-N -1 1 397.826 1.793 20 0 GDADMM CN(C(=O)c1ccc(-c2nn[n-]n2)nc1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000736746974 599030808 /nfs/dbraw/zinc/03/08/08/599030808.db2.gz CZZGOEZOPHBICD-HNNXBMFYSA-N -1 1 397.826 1.793 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000737199432 599039722 /nfs/dbraw/zinc/03/97/22/599039722.db2.gz HBCHGEFQZAXPLC-DAXOMENPSA-N -1 1 386.456 1.446 20 0 GDADMM Cc1ccc([C@H](O)CNC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)o1 ZINC000737320348 599056151 /nfs/dbraw/zinc/05/61/51/599056151.db2.gz OOTPIDDJCFQBRX-GFCCVEGCSA-N -1 1 382.380 1.924 20 0 GDADMM Cc1ccc([C@H](O)CNC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)o1 ZINC000737320348 599056154 /nfs/dbraw/zinc/05/61/54/599056154.db2.gz OOTPIDDJCFQBRX-GFCCVEGCSA-N -1 1 382.380 1.924 20 0 GDADMM CCC(CC)(CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccccc1 ZINC000820887536 599087096 /nfs/dbraw/zinc/08/70/96/599087096.db2.gz FQDSZBNGNALRBP-UHFFFAOYSA-N -1 1 383.456 1.434 20 0 GDADMM CCOc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736653681 599132276 /nfs/dbraw/zinc/13/22/76/599132276.db2.gz KGONQYOVVRZYDQ-LLVKDONJSA-N -1 1 382.380 1.844 20 0 GDADMM CCOc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736653681 599132278 /nfs/dbraw/zinc/13/22/78/599132278.db2.gz KGONQYOVVRZYDQ-LLVKDONJSA-N -1 1 382.380 1.844 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000736157037 599134019 /nfs/dbraw/zinc/13/40/19/599134019.db2.gz HRWXKFJITLVNDT-SECBINFHSA-N -1 1 394.347 1.021 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000736157037 599134021 /nfs/dbraw/zinc/13/40/21/599134021.db2.gz HRWXKFJITLVNDT-SECBINFHSA-N -1 1 394.347 1.021 20 0 GDADMM Cc1cncc(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)c1 ZINC000822400192 599142825 /nfs/dbraw/zinc/14/28/25/599142825.db2.gz YXHSWBVNMNDDSJ-UHFFFAOYSA-N -1 1 380.412 1.398 20 0 GDADMM O=C(NCCc1ccn(-c2ccc(F)cc2)n1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823224332 599162984 /nfs/dbraw/zinc/16/29/84/599162984.db2.gz YNELYPICHZMFFK-UHFFFAOYSA-N -1 1 378.371 1.559 20 0 GDADMM O=C(NCCc1ccn(-c2ccc(F)cc2)n1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823224332 599162986 /nfs/dbraw/zinc/16/29/86/599162986.db2.gz YNELYPICHZMFFK-UHFFFAOYSA-N -1 1 378.371 1.559 20 0 GDADMM CCNC(=O)c1ccc(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000736577644 599176782 /nfs/dbraw/zinc/17/67/82/599176782.db2.gz JKUBBAVFMARKQR-UHFFFAOYSA-N -1 1 391.384 1.523 20 0 GDADMM CN(C)c1cccc(CN(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000821591194 607259463 /nfs/dbraw/zinc/25/94/63/607259463.db2.gz ZZFIHPRLONLYBH-UHFFFAOYSA-N -1 1 390.444 1.893 20 0 GDADMM CN(C)c1cccc(CN(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000821591194 607259464 /nfs/dbraw/zinc/25/94/64/607259464.db2.gz ZZFIHPRLONLYBH-UHFFFAOYSA-N -1 1 390.444 1.893 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCOC[C@@H]1c1ccco1 ZINC000737201065 599197520 /nfs/dbraw/zinc/19/75/20/599197520.db2.gz PYQZCQRMNHJBDF-CQSZACIVSA-N -1 1 398.423 1.710 20 0 GDADMM Cc1nsc(NC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)n1 ZINC000822535194 599200155 /nfs/dbraw/zinc/20/01/55/599200155.db2.gz JEYPQVXEFSDOJA-UHFFFAOYSA-N -1 1 384.429 1.257 20 0 GDADMM Cc1nsc(NC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)n1 ZINC000822535194 599200157 /nfs/dbraw/zinc/20/01/57/599200157.db2.gz JEYPQVXEFSDOJA-UHFFFAOYSA-N -1 1 384.429 1.257 20 0 GDADMM C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CCC(C(=O)[O-])CC1 ZINC000738641050 596924638 /nfs/dbraw/zinc/92/46/38/596924638.db2.gz WVRVDCKLJOQINI-GFCCVEGCSA-N -1 1 383.470 1.061 20 0 GDADMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000534782280 597075126 /nfs/dbraw/zinc/07/51/26/597075126.db2.gz YEVZHXLZIMITPH-UHFFFAOYSA-N -1 1 388.795 1.996 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCC2Cc3ccccc3C2)cc1-c1nn[n-]n1 ZINC000737188030 599240019 /nfs/dbraw/zinc/24/00/19/599240019.db2.gz WGBBMDYNKDRWPU-UHFFFAOYSA-N -1 1 382.449 1.834 20 0 GDADMM O=C(CNC1(C(=O)[O-])CCCC1)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000580273648 597080754 /nfs/dbraw/zinc/08/07/54/597080754.db2.gz QQUMUDOKJIIERZ-UHFFFAOYSA-N -1 1 379.501 1.661 20 0 GDADMM COCCOC[C@H](C)NC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000737007286 599241477 /nfs/dbraw/zinc/24/14/77/599241477.db2.gz YWJVFPQQGUYJAO-JTQLQIEISA-N -1 1 392.485 1.642 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)N2CCNC(=O)C[C@H]2C)c1-c1nn[n-]n1 ZINC000737188875 599244010 /nfs/dbraw/zinc/24/40/10/599244010.db2.gz HZLPPSBYLXXHIK-SECBINFHSA-N -1 1 387.469 1.212 20 0 GDADMM O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)N=c1cc[nH]cc1-c1nn[n-]n1 ZINC000737975214 599252848 /nfs/dbraw/zinc/25/28/48/599252848.db2.gz MZSCRIPMHSVLBU-UHFFFAOYSA-N -1 1 389.206 1.819 20 0 GDADMM O=C([O-])C1CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)CC1 ZINC000819271058 597319705 /nfs/dbraw/zinc/31/97/05/597319705.db2.gz LPUKWOWIIIBPJY-UHFFFAOYSA-N -1 1 382.438 1.114 20 0 GDADMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)c1ccc2nc(Cl)sc2c1 ZINC000760101365 597347155 /nfs/dbraw/zinc/34/71/55/597347155.db2.gz WNPUXEFUZJQKBV-UHFFFAOYSA-N -1 1 377.875 1.587 20 0 GDADMM O=C(CN1CCOCC1)Nc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000823002092 607311177 /nfs/dbraw/zinc/31/11/77/607311177.db2.gz SEOJATIZGKGJNC-UHFFFAOYSA-N -1 1 383.412 1.343 20 0 GDADMM O=C(CN1CCOCC1)Nc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000823002092 607311178 /nfs/dbraw/zinc/31/11/78/607311178.db2.gz SEOJATIZGKGJNC-UHFFFAOYSA-N -1 1 383.412 1.343 20 0 GDADMM C[C@H](C(=O)Nc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1)n1cncn1 ZINC000819867587 607312137 /nfs/dbraw/zinc/31/21/37/607312137.db2.gz UIMYZIOUFYKPLR-LLVKDONJSA-N -1 1 379.384 1.863 20 0 GDADMM C[C@H](C(=O)Nc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1)n1cncn1 ZINC000819867587 607312138 /nfs/dbraw/zinc/31/21/38/607312138.db2.gz UIMYZIOUFYKPLR-LLVKDONJSA-N -1 1 379.384 1.863 20 0 GDADMM COc1ccc(C(=O)N2CCOCC2)cc1NCc1ccc(-c2nnn[n-]2)o1 ZINC000821770428 607314291 /nfs/dbraw/zinc/31/42/91/607314291.db2.gz SZAYGWFJJPYDKJ-UHFFFAOYSA-N -1 1 384.396 1.553 20 0 GDADMM COc1ccc(C(=O)N2CCOCC2)cc1NCc1ccc(-c2nn[n-]n2)o1 ZINC000821770428 607314292 /nfs/dbraw/zinc/31/42/92/607314292.db2.gz SZAYGWFJJPYDKJ-UHFFFAOYSA-N -1 1 384.396 1.553 20 0 GDADMM CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CN1CC[C@H](C(=O)[O-])C1 ZINC000818394658 597531753 /nfs/dbraw/zinc/53/17/53/597531753.db2.gz KMUVGTOGIFKXLT-NSHDSACASA-N -1 1 387.358 1.509 20 0 GDADMM CC(C)(C)c1nc([C@H]2CN(C(=O)NC3CCC(C(=O)[O-])CC3)CCO2)n[nH]1 ZINC000819932461 598153540 /nfs/dbraw/zinc/15/35/40/598153540.db2.gz HBVXFCXFWRBXDA-WXRRBKDZSA-N -1 1 379.461 1.829 20 0 GDADMM CC(C)(C)c1nnc([C@H]2CN(C(=O)NC3CCC(C(=O)[O-])CC3)CCO2)[nH]1 ZINC000819932461 598153541 /nfs/dbraw/zinc/15/35/41/598153541.db2.gz HBVXFCXFWRBXDA-WXRRBKDZSA-N -1 1 379.461 1.829 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)NCC(=O)OC(C)C)c1-c1nn[n-]n1 ZINC000737188609 598234177 /nfs/dbraw/zinc/23/41/77/598234177.db2.gz CQILRKMTOWSVDM-UHFFFAOYSA-N -1 1 376.442 1.542 20 0 GDADMM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc2c(c1)OCCO2 ZINC000736131791 598260308 /nfs/dbraw/zinc/26/03/08/598260308.db2.gz RYCNZNWERGEVSX-JTQLQIEISA-N -1 1 388.409 1.072 20 0 GDADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc2c(c1)OCCO2 ZINC000736131791 598260310 /nfs/dbraw/zinc/26/03/10/598260310.db2.gz RYCNZNWERGEVSX-JTQLQIEISA-N -1 1 388.409 1.072 20 0 GDADMM CCN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736559500 598260491 /nfs/dbraw/zinc/26/04/91/598260491.db2.gz YOVOTYWVNUUTBV-UHFFFAOYSA-N -1 1 388.409 1.201 20 0 GDADMM CCN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736559500 598260493 /nfs/dbraw/zinc/26/04/93/598260493.db2.gz YOVOTYWVNUUTBV-UHFFFAOYSA-N -1 1 388.409 1.201 20 0 GDADMM C[C@H](OCCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000736165046 598261654 /nfs/dbraw/zinc/26/16/54/598261654.db2.gz RGNOQUXBQWMNRI-ZDUSSCGKSA-N -1 1 388.453 1.708 20 0 GDADMM C[C@H](OCCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000736165046 598261656 /nfs/dbraw/zinc/26/16/56/598261656.db2.gz RGNOQUXBQWMNRI-ZDUSSCGKSA-N -1 1 388.453 1.708 20 0 GDADMM COc1ccc([C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C(C)C)cc1 ZINC000737073587 598262190 /nfs/dbraw/zinc/26/21/90/598262190.db2.gz FOPQBPNQKHEZIT-MRXNPFEDSA-N -1 1 388.453 1.946 20 0 GDADMM COc1ccc([C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C(C)C)cc1 ZINC000737073587 598262193 /nfs/dbraw/zinc/26/21/93/598262193.db2.gz FOPQBPNQKHEZIT-MRXNPFEDSA-N -1 1 388.453 1.946 20 0 GDADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc(OC(F)F)c1 ZINC000736132372 598264952 /nfs/dbraw/zinc/26/49/52/598264952.db2.gz VQGIUNXIDKRPPB-SECBINFHSA-N -1 1 396.379 1.903 20 0 GDADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc(OC(F)F)c1 ZINC000736132372 598264954 /nfs/dbraw/zinc/26/49/54/598264954.db2.gz VQGIUNXIDKRPPB-SECBINFHSA-N -1 1 396.379 1.903 20 0 GDADMM CC(C)CCOC1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000735819330 598265272 /nfs/dbraw/zinc/26/52/72/598265272.db2.gz IRYUNWABKMVGRK-UHFFFAOYSA-N -1 1 380.474 1.478 20 0 GDADMM CC(C)CCOC1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000735819330 598265273 /nfs/dbraw/zinc/26/52/73/598265273.db2.gz IRYUNWABKMVGRK-UHFFFAOYSA-N -1 1 380.474 1.478 20 0 GDADMM COC(=O)c1cc(Cl)ccc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736950532 598267973 /nfs/dbraw/zinc/26/79/73/598267973.db2.gz KBIKRVYLMXNHFR-UHFFFAOYSA-N -1 1 395.784 1.469 20 0 GDADMM COC(=O)c1cc(Cl)ccc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736950532 598267974 /nfs/dbraw/zinc/26/79/74/598267974.db2.gz KBIKRVYLMXNHFR-UHFFFAOYSA-N -1 1 395.784 1.469 20 0 GDADMM Cc1cc(N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)nc(-c2ccccn2)n1 ZINC000737269684 598275489 /nfs/dbraw/zinc/27/54/89/598275489.db2.gz GPZFCHNGOHXITI-UHFFFAOYSA-N -1 1 391.443 1.401 20 0 GDADMM Cc1cc(N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)nc(-c2ccccn2)n1 ZINC000737269684 598275490 /nfs/dbraw/zinc/27/54/90/598275490.db2.gz GPZFCHNGOHXITI-UHFFFAOYSA-N -1 1 391.443 1.401 20 0 GDADMM CC(=O)NC(C)(C)C(=O)OCc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000735476719 598370513 /nfs/dbraw/zinc/37/05/13/598370513.db2.gz WZKGISIGLFESSN-UHFFFAOYSA-N -1 1 383.412 1.319 20 0 GDADMM CCc1nn(C[C@@H](O)COc2cccc(C)c2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705002 598373999 /nfs/dbraw/zinc/37/39/99/598373999.db2.gz BRQWQVBPIAFSHV-CYBMUJFWSA-N -1 1 384.440 1.297 20 0 GDADMM CCc1nn(CC(=O)c2cc(C)n(CC)c2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705645 598377997 /nfs/dbraw/zinc/37/79/97/598377997.db2.gz MNUWFWNRJFFBRE-UHFFFAOYSA-N -1 1 383.456 1.869 20 0 GDADMM CCc1nn(CC(=O)Nc2cccc(SC)c2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706078 598378055 /nfs/dbraw/zinc/37/80/55/598378055.db2.gz SUGWKFMRUPRRKC-UHFFFAOYSA-N -1 1 399.480 1.909 20 0 GDADMM CCC(CC)C(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000736337339 598408077 /nfs/dbraw/zinc/40/80/77/598408077.db2.gz KBKPCFIFEMJKKI-UHFFFAOYSA-N -1 1 383.412 1.970 20 0 GDADMM CCC(CC)C(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736337339 598408080 /nfs/dbraw/zinc/40/80/80/598408080.db2.gz KBKPCFIFEMJKKI-UHFFFAOYSA-N -1 1 383.412 1.970 20 0 GDADMM O=C(NC1CCC1)C1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000738027063 598426210 /nfs/dbraw/zinc/42/62/10/598426210.db2.gz XBPQVTSYWVJXGN-UHFFFAOYSA-N -1 1 383.412 2.000 20 0 GDADMM Cc1cnccc1NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000737445869 598426427 /nfs/dbraw/zinc/42/64/27/598426427.db2.gz KWYHHMCLPUNXRY-UHFFFAOYSA-N -1 1 377.412 1.223 20 0 GDADMM Cc1cnccc1NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000737445869 598426428 /nfs/dbraw/zinc/42/64/28/598426428.db2.gz KWYHHMCLPUNXRY-UHFFFAOYSA-N -1 1 377.412 1.223 20 0 GDADMM C[C@@H]1Oc2ccc([N-]S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)cc2NC1=O ZINC000736301220 598514232 /nfs/dbraw/zinc/51/42/32/598514232.db2.gz MRPKFYQMXKTSQB-VIFPVBQESA-N -1 1 386.393 1.387 20 0 GDADMM C[C@@H]1Oc2ccc([N-]S(=O)(=O)c3cccc(-c4nn[nH]n4)c3)cc2NC1=O ZINC000736301200 598514584 /nfs/dbraw/zinc/51/45/84/598514584.db2.gz MNADZNFTXAFDTG-VIFPVBQESA-N -1 1 386.393 1.387 20 0 GDADMM CC(C)[C@@H]([N-]S(=O)(=O)c1cccc(-c2nn[nH]n2)c1)c1nc(C2CC2)no1 ZINC000735734516 598525705 /nfs/dbraw/zinc/52/57/05/598525705.db2.gz MNXWETFJGYFITJ-CYBMUJFWSA-N -1 1 389.441 1.803 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@H]1Cn1cccn1 ZINC000737199709 598612432 /nfs/dbraw/zinc/61/24/32/598612432.db2.gz IVWCJKHSQMMNQL-AWEZNQCLSA-N -1 1 396.455 1.404 20 0 GDADMM CCc1nn(CC(=O)Nc2ccc(C)c(C)c2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705492 598640400 /nfs/dbraw/zinc/64/04/00/598640400.db2.gz JHCDWWXXNWYQJQ-UHFFFAOYSA-N -1 1 381.440 1.804 20 0 GDADMM CCc1nn(Cc2nc(-c3ccccn3)no2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736707022 598642470 /nfs/dbraw/zinc/64/24/70/598642470.db2.gz ONDAYKMGDSMHRT-UHFFFAOYSA-N -1 1 379.384 1.042 20 0 GDADMM CCc1nn(CCOc2ccccc2C(C)=O)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706487 598642575 /nfs/dbraw/zinc/64/25/75/598642575.db2.gz LZELKZSSGUYLNP-UHFFFAOYSA-N -1 1 382.424 1.830 20 0 GDADMM CCc1nn(CC(=O)Nc2ccc(F)cc2F)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706900 598643701 /nfs/dbraw/zinc/64/37/01/598643701.db2.gz ZWTLVCMBESXEJA-UHFFFAOYSA-N -1 1 389.366 1.465 20 0 GDADMM O=C(Cn1cccc(-c2nn[n-]n2)c1=O)Nc1ccc(SC(F)F)cc1 ZINC000737986361 598677478 /nfs/dbraw/zinc/67/74/78/598677478.db2.gz HOMUSUYOKGIGHE-UHFFFAOYSA-N -1 1 378.364 1.982 20 0 GDADMM COc1ccccc1NC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000737153153 598719182 /nfs/dbraw/zinc/71/91/82/598719182.db2.gz WTLBEXYSGRENQC-UHFFFAOYSA-N -1 1 376.376 1.829 20 0 GDADMM O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)Nc1cccnc1Cl ZINC000737982174 598721959 /nfs/dbraw/zinc/72/19/59/598721959.db2.gz OVEWWLVTCYGHQS-UHFFFAOYSA-N -1 1 381.783 1.869 20 0 GDADMM NC(=O)c1ccccc1N1CC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000737760697 598748025 /nfs/dbraw/zinc/74/80/25/598748025.db2.gz JVNDOBZSBMAYBP-QMMMGPOBSA-N -1 1 390.860 1.766 20 0 GDADMM NC(=O)c1ccccc1N1CC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000737760697 598748026 /nfs/dbraw/zinc/74/80/26/598748026.db2.gz JVNDOBZSBMAYBP-QMMMGPOBSA-N -1 1 390.860 1.766 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCC[C@H](CCO)C1 ZINC000822458964 607366470 /nfs/dbraw/zinc/36/64/70/607366470.db2.gz KWYZCRBYTUNUMF-CQSZACIVSA-N -1 1 398.471 1.080 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCC[C@H](CCO)C1 ZINC000822458964 607366472 /nfs/dbraw/zinc/36/64/72/607366472.db2.gz KWYZCRBYTUNUMF-CQSZACIVSA-N -1 1 398.471 1.080 20 0 GDADMM O=C(C1=COCCC1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000737780831 598808582 /nfs/dbraw/zinc/80/85/82/598808582.db2.gz FSMSPLGCGARMQR-UHFFFAOYSA-N -1 1 397.395 1.458 20 0 GDADMM CC(C)c1nc(C(=O)n2ncc(-c3nn[n-]n3)c2N)nn1-c1ccccc1F ZINC000820203070 599318514 /nfs/dbraw/zinc/31/85/14/599318514.db2.gz PJKQUSYLCSJZHQ-UHFFFAOYSA-N -1 1 382.363 1.177 20 0 GDADMM CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)n2ncc(-c3nn[n-]n3)c2N)C1 ZINC000819939874 599318822 /nfs/dbraw/zinc/31/88/22/599318822.db2.gz LDAYOXRSLFTIRJ-ZJUUUORDSA-N -1 1 376.421 1.369 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCC2(C1)CCOCC2 ZINC000823600376 599327969 /nfs/dbraw/zinc/32/79/69/599327969.db2.gz GWPPFMQELHLNOG-UHFFFAOYSA-N -1 1 383.861 1.711 20 0 GDADMM CCO[C@@H]1C[C@H](N(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1(C)C ZINC000821358874 599344964 /nfs/dbraw/zinc/34/49/64/599344964.db2.gz LFBLCMGXFCFOLR-QWHCGFSZSA-N -1 1 383.449 1.830 20 0 GDADMM CCO[C@@H]1C[C@H](N(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1(C)C ZINC000821358874 599344966 /nfs/dbraw/zinc/34/49/66/599344966.db2.gz LFBLCMGXFCFOLR-QWHCGFSZSA-N -1 1 383.449 1.830 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCO[C@@H](C(F)(F)F)C1 ZINC000823601252 599345555 /nfs/dbraw/zinc/34/55/55/599345555.db2.gz XVFVGFUJKUCRJE-SNVBAGLBSA-N -1 1 397.766 1.472 20 0 GDADMM COc1cccc(O[C@H](C)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000821871745 599363442 /nfs/dbraw/zinc/36/34/42/599363442.db2.gz CYHMWKMDJQHYGJ-LLVKDONJSA-N -1 1 390.425 1.016 20 0 GDADMM COc1cccc(O[C@H](C)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000821871745 599363444 /nfs/dbraw/zinc/36/34/44/599363444.db2.gz CYHMWKMDJQHYGJ-LLVKDONJSA-N -1 1 390.425 1.016 20 0 GDADMM CO[C@@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc(Cl)c1 ZINC000821677031 599375174 /nfs/dbraw/zinc/37/51/74/599375174.db2.gz MWOZWGBIDLIKMX-AWEZNQCLSA-N -1 1 394.844 1.581 20 0 GDADMM CO[C@@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc(Cl)c1 ZINC000821677031 599375176 /nfs/dbraw/zinc/37/51/76/599375176.db2.gz MWOZWGBIDLIKMX-AWEZNQCLSA-N -1 1 394.844 1.581 20 0 GDADMM CCNC(=O)COc1ccc(CNc2cccc(-c3nnn[n-]3)n2)cc1OC ZINC000736576247 599409243 /nfs/dbraw/zinc/40/92/43/599409243.db2.gz NEVFSMWEQWOPHA-UHFFFAOYSA-N -1 1 383.412 1.397 20 0 GDADMM CCNC(=O)COc1ccc(CNc2cccc(-c3nn[n-]n3)n2)cc1OC ZINC000736576247 599409247 /nfs/dbraw/zinc/40/92/47/599409247.db2.gz NEVFSMWEQWOPHA-UHFFFAOYSA-N -1 1 383.412 1.397 20 0 GDADMM Cc1cccc(O[C@H](C)C(=O)N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)c1 ZINC000737401000 599472859 /nfs/dbraw/zinc/47/28/59/599472859.db2.gz IJIBUMABRBNDRG-OAHLLOKOSA-N -1 1 393.451 1.686 20 0 GDADMM Cc1cccc(O[C@H](C)C(=O)N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)c1 ZINC000737401000 599472861 /nfs/dbraw/zinc/47/28/61/599472861.db2.gz IJIBUMABRBNDRG-OAHLLOKOSA-N -1 1 393.451 1.686 20 0 GDADMM CN(C[C@H]1CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CCO1)c1cccnn1 ZINC000821598093 607382310 /nfs/dbraw/zinc/38/23/10/607382310.db2.gz QLRNCOXOKUKPFH-NSHDSACASA-N -1 1 387.835 1.047 20 0 GDADMM CN(C[C@H]1CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CCO1)c1cccnn1 ZINC000821598093 607382312 /nfs/dbraw/zinc/38/23/12/607382312.db2.gz QLRNCOXOKUKPFH-NSHDSACASA-N -1 1 387.835 1.047 20 0 GDADMM Cn1cc(C2CCN(S(=O)(=O)c3ccc(F)c(-c4nn[n-]n4)c3)CC2)cn1 ZINC000737602225 599596133 /nfs/dbraw/zinc/59/61/33/599596133.db2.gz GARJRSYULXIJER-UHFFFAOYSA-N -1 1 391.432 1.308 20 0 GDADMM Cc1ccc(S(=O)(=O)NCCNc2ccc(Cl)c(-c3nnn[n-]3)n2)s1 ZINC000822267023 607385980 /nfs/dbraw/zinc/38/59/80/607385980.db2.gz MDOVAJDSROJAET-UHFFFAOYSA-N -1 1 399.889 1.675 20 0 GDADMM Cc1ccc(S(=O)(=O)NCCNc2ccc(Cl)c(-c3nn[n-]n3)n2)s1 ZINC000822267023 607385982 /nfs/dbraw/zinc/38/59/82/607385982.db2.gz MDOVAJDSROJAET-UHFFFAOYSA-N -1 1 399.889 1.675 20 0 GDADMM Cc1cc(C)n([C@H]2CCCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC000822197909 599683450 /nfs/dbraw/zinc/68/34/50/599683450.db2.gz UJXHNEBBIGICPJ-ZDUSSCGKSA-N -1 1 388.457 1.101 20 0 GDADMM Cc1cc(C)n([C@H]2CCCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC000822197909 599683451 /nfs/dbraw/zinc/68/34/51/599683451.db2.gz UJXHNEBBIGICPJ-ZDUSSCGKSA-N -1 1 388.457 1.101 20 0 GDADMM CC(C)[C@@H](C(=O)Nc1cccc(S(=O)(=O)NCC(=O)[O-])c1)N1CCCCC1 ZINC000736348700 599734013 /nfs/dbraw/zinc/73/40/13/599734013.db2.gz BVVDHJABXAWLPS-KRWDZBQOSA-N -1 1 397.497 1.499 20 0 GDADMM COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NC[C@@H](C)C(=O)[O-])cc1 ZINC000485943965 599778125 /nfs/dbraw/zinc/77/81/25/599778125.db2.gz VZCZLUIUYIVGSM-GFCCVEGCSA-N -1 1 392.433 1.947 20 0 GDADMM COc1ccc(C(=O)N(C)CC(=O)[O-])cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000485464664 599852053 /nfs/dbraw/zinc/85/20/53/599852053.db2.gz KANANYYVBBHJCH-UHFFFAOYSA-N -1 1 392.433 1.961 20 0 GDADMM CN1CCN(Cc2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])cc2)CC1 ZINC000194929886 599858845 /nfs/dbraw/zinc/85/88/45/599858845.db2.gz CNUFKXFXPHSTEP-FQEVSTJZSA-N -1 1 381.476 1.860 20 0 GDADMM COc1ccnc(N2CCN(C(=O)C(=O)Nc3ccc(CC(=O)[O-])cc3)CC2)c1 ZINC000738143561 599906968 /nfs/dbraw/zinc/90/69/68/599906968.db2.gz QLXKMFIBBDEPJT-UHFFFAOYSA-N -1 1 398.419 1.005 20 0 GDADMM Cc1ccc(N2CCC[C@@H](N(C)[C@H](C)C(=O)N3CCC(C(=O)[O-])CC3)C2)nn1 ZINC000738277070 599956750 /nfs/dbraw/zinc/95/67/50/599956750.db2.gz AOZWTBKJTPWCFT-NVXWUHKLSA-N -1 1 389.500 1.397 20 0 GDADMM CN1CCN(C(C)(C)CNC(=O)NCCOc2ccc(C(=O)[O-])cc2)CC1 ZINC000737515867 599957635 /nfs/dbraw/zinc/95/76/35/599957635.db2.gz NDTNECDYBCZTKR-UHFFFAOYSA-N -1 1 378.473 1.089 20 0 GDADMM C[C@@H](O)CN1CCN(CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)C[C@@H]1C ZINC000736677749 599959833 /nfs/dbraw/zinc/95/98/33/599959833.db2.gz PANMMRVRRUFGSN-QWHCGFSZSA-N -1 1 395.525 1.651 20 0 GDADMM CC[C@@H]1CN(CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000736943973 599960723 /nfs/dbraw/zinc/96/07/23/599960723.db2.gz QYOMJYDDSVZLEP-BXUZGUMPSA-N -1 1 383.514 1.779 20 0 GDADMM CC[C@@H]1CN(CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])CCN1C[C@@H](C)O ZINC000736943973 599960726 /nfs/dbraw/zinc/96/07/26/599960726.db2.gz QYOMJYDDSVZLEP-BXUZGUMPSA-N -1 1 383.514 1.779 20 0 GDADMM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCC[C@H]1Cn1cccn1 ZINC000739282443 599971472 /nfs/dbraw/zinc/97/14/72/599971472.db2.gz BDSFXHQLLWFJQA-QFBILLFUSA-N -1 1 395.463 1.641 20 0 GDADMM NC(=O)C[C@H]1CCCCN1CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000739158521 600030825 /nfs/dbraw/zinc/03/08/25/600030825.db2.gz BQLWXUXFTUJKTE-PBHICJAKSA-N -1 1 386.452 1.010 20 0 GDADMM COc1ccccc1[C@H](CNC(=O)N1CCO[C@@H](C(=O)[O-])C1)N1CCCCC1 ZINC000738119554 600037518 /nfs/dbraw/zinc/03/75/18/600037518.db2.gz JKKBOPBLFIIIHV-FUHWJXTLSA-N -1 1 391.468 1.717 20 0 GDADMM CCCc1c(C(=O)NC2CCN(CC(=O)N(C)C)CC2)[nH]c(C)c1C(=O)[O-] ZINC000737039382 600074037 /nfs/dbraw/zinc/07/40/37/600074037.db2.gz AWFQECHHDHKKFD-UHFFFAOYSA-N -1 1 378.473 1.256 20 0 GDADMM CCC[C@](C)(NCC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)C(=O)[O-] ZINC000736964409 600152998 /nfs/dbraw/zinc/15/29/98/600152998.db2.gz NUVZAVUKHTVPNF-HNNXBMFYSA-N -1 1 378.397 1.854 20 0 GDADMM O=C([O-])CCCN1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000262163626 600227670 /nfs/dbraw/zinc/22/76/70/600227670.db2.gz BLBSZHWABQMQLP-UHFFFAOYSA-N -1 1 384.454 1.019 20 0 GDADMM Cc1ccccc1[C@H](OC[C@H](O)CN1C[C@H](O)C[C@H]1C(=O)[O-])c1ccccc1 ZINC000738758205 600230718 /nfs/dbraw/zinc/23/07/18/600230718.db2.gz LABMQXMTSNHCCP-RMVXJAJNSA-N -1 1 385.460 1.982 20 0 GDADMM Cc1c(NC(=O)C(=O)N2CCN(CC3CCOCC3)CC2)cccc1C(=O)[O-] ZINC000738303215 600329318 /nfs/dbraw/zinc/32/93/18/600329318.db2.gz VVQHEDFYCWPNGO-UHFFFAOYSA-N -1 1 389.452 1.203 20 0 GDADMM CN1CCN(c2cc(CNC(=O)N3CCC4(C[C@@H]4C(=O)[O-])CC3)ccn2)CC1 ZINC000737529473 600343787 /nfs/dbraw/zinc/34/37/87/600343787.db2.gz XVTHIGKCLLKFJB-MRXNPFEDSA-N -1 1 387.484 1.230 20 0 GDADMM CN1CCN(c2ccc(CNC(=O)N3CCC4(C[C@@H]4C(=O)[O-])CC3)cn2)CC1 ZINC000737528974 600343833 /nfs/dbraw/zinc/34/38/33/600343833.db2.gz GDHGHNPONBYNRB-MRXNPFEDSA-N -1 1 387.484 1.230 20 0 GDADMM CC(C)[C@@H](CNC(=O)Nc1ccc(CNC(=O)[O-])cc1)N1CCN(C)CC1 ZINC000736353432 600349814 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/nfs/dbraw/zinc/12/26/89/602122689.db2.gz KOBNHKORNYWNFJ-UHFFFAOYSA-N -1 1 395.418 1.465 20 0 GDADMM O=C([O-])N1CCN(c2ccc(NC(=O)c3cn[nH]c3-c3ccncc3)nc2)CC1 ZINC000740463580 602128368 /nfs/dbraw/zinc/12/83/68/602128368.db2.gz RJEAALNHDJNUKD-UHFFFAOYSA-N -1 1 393.407 1.919 20 0 GDADMM COc1cc(OC)cc([C@H](NCc2ccc3c(c2)CCS3(=O)=O)C(=O)[O-])c1 ZINC000832057691 602176973 /nfs/dbraw/zinc/17/69/73/602176973.db2.gz QZWDIXABWHDUCS-SFHVURJKSA-N -1 1 391.445 1.949 20 0 GDADMM Cc1c(S(=O)(=O)Nc2ccc(OCC(=O)[O-])cc2)cnn1-c1ccccn1 ZINC000832855783 602197134 /nfs/dbraw/zinc/19/71/34/602197134.db2.gz COABTCKCKXPXBP-UHFFFAOYSA-N -1 1 388.405 1.840 20 0 GDADMM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(CC(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000827688500 602244986 /nfs/dbraw/zinc/24/49/86/602244986.db2.gz WXSRGKIMZIHBDO-GOEBONIOSA-N -1 1 397.516 1.935 20 0 GDADMM C[C@H](NC(=O)CCNC(=O)c1n[nH]c2ccccc21)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738959729 602257517 /nfs/dbraw/zinc/25/75/17/602257517.db2.gz VMAMFDYNVIVABM-QWHCGFSZSA-N 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ZINC000828020111 602389339 /nfs/dbraw/zinc/38/93/39/602389339.db2.gz KHHPGGDYNSUGSA-WBMJQRKESA-N -1 1 381.226 1.878 20 0 GDADMM CC(C)C[C@H](CNC(=O)[O-])NC(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000738804964 602527189 /nfs/dbraw/zinc/52/71/89/602527189.db2.gz JIDCQCJUSRRWEP-GFCCVEGCSA-N -1 1 392.481 1.874 20 0 GDADMM C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738628974 602530536 /nfs/dbraw/zinc/53/05/36/602530536.db2.gz FZODGNGQKNUUON-HOTGVXAUSA-N -1 1 390.484 1.782 20 0 GDADMM CCCN(CC(=O)N[C@H](C(=O)NC)c1ccccc1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739353580 602543139 /nfs/dbraw/zinc/54/31/39/602543139.db2.gz KDZHRUKGVXVZFN-RDJZCZTQSA-N -1 1 376.457 1.054 20 0 GDADMM CN(C[C@@H]1CCN(CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1)C(=O)[O-] ZINC000739662240 602543564 /nfs/dbraw/zinc/54/35/64/602543564.db2.gz XVCLWIAVNNKCGQ-WMLDXEAASA-N -1 1 379.432 1.657 20 0 GDADMM CCCN(CC(=O)N1CCN(C(=O)c2ccco2)CC1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739348116 602546213 /nfs/dbraw/zinc/54/62/13/602546213.db2.gz GJJFNUGHQFJSNR-HNNXBMFYSA-N -1 1 392.456 1.028 20 0 GDADMM C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1nnc2ccccn21 ZINC000824640212 607579547 /nfs/dbraw/zinc/57/95/47/607579547.db2.gz CYYKFPZAHMHRRY-SECBINFHSA-N -1 1 388.388 1.088 20 0 GDADMM C[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1nnc2ccccn21 ZINC000824640212 607579549 /nfs/dbraw/zinc/57/95/49/607579549.db2.gz CYYKFPZAHMHRRY-SECBINFHSA-N -1 1 388.388 1.088 20 0 GDADMM CC(C)CN1CCO[C@@H](CNC(=O)c2cccn2C2CCN(C(=O)[O-])CC2)C1 ZINC000738826031 602684073 /nfs/dbraw/zinc/68/40/73/602684073.db2.gz UJNHBRWTDNDKIW-KRWDZBQOSA-N -1 1 392.500 1.890 20 0 GDADMM O=C([O-])N1CC[C@H](CCNC(=O)NCC2(N3CCOCC3)CCCCC2)C1 ZINC000740428988 602692538 /nfs/dbraw/zinc/69/25/38/602692538.db2.gz QYMBGAONVXDQOU-INIZCTEOSA-N -1 1 382.505 1.711 20 0 GDADMM O=C([O-])N1CCC(n2cccc2C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000740509197 602700374 /nfs/dbraw/zinc/70/03/74/602700374.db2.gz LJAYMGBBKAXXDN-FUHWJXTLSA-N -1 1 390.484 1.474 20 0 GDADMM Cc1ccc(OCC(=O)N2CCN(C[C@H]3CCCN(C(=O)[O-])C3)CC2)cc1 ZINC000740144756 602703669 /nfs/dbraw/zinc/70/36/69/602703669.db2.gz DMHGTCMZPRIPHU-QGZVFWFLSA-N -1 1 375.469 1.908 20 0 GDADMM COCCN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826158730 607577560 /nfs/dbraw/zinc/57/75/60/607577560.db2.gz AIKYNNUQHJIFAF-UHFFFAOYSA-N -1 1 391.428 1.843 20 0 GDADMM O=C([O-])N1CCC[C@@H](CN2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)C1 ZINC000740513034 602737727 /nfs/dbraw/zinc/73/77/27/602737727.db2.gz SQUHEJMNMMXIAV-PKOBYXMFSA-N -1 1 386.496 1.800 20 0 GDADMM C[C@@H]1CN(CC(=O)N2CCN(Cc3ccsc3)CC2)CC[C@@H]1NC(=O)[O-] ZINC000739176655 602772605 /nfs/dbraw/zinc/77/26/05/602772605.db2.gz UNOAUEISAHTECF-ZBFHGGJFSA-N -1 1 380.514 1.370 20 0 GDADMM CC(C)N(C)C(=O)C1CCN(C(=O)CN2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)CC1 ZINC000739172317 602784809 /nfs/dbraw/zinc/78/48/09/602784809.db2.gz LHBJKZNXRZOAAE-GOEBONIOSA-N -1 1 382.505 1.070 20 0 GDADMM COCc1cccc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000826164532 607590274 /nfs/dbraw/zinc/59/02/74/607590274.db2.gz FEPYHBXERFXMQA-UHFFFAOYSA-N -1 1 377.401 1.631 20 0 GDADMM CCOC(=O)CN(C1CC1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825511694 607597515 /nfs/dbraw/zinc/59/75/15/607597515.db2.gz BANXUKCQNQRZDZ-UHFFFAOYSA-N -1 1 385.833 1.236 20 0 GDADMM O=C([O-])NC[C@H]1CCC[C@@H]1NC(=O)CCn1c(=O)c2ccccc2[nH]c1=S ZINC000740622962 602974342 /nfs/dbraw/zinc/97/43/42/602974342.db2.gz PYXRJNJOVJTCAT-YPMHNXCESA-N -1 1 390.465 1.628 20 0 GDADMM Cn1c(=O)c2ccc(C(=O)N[C@@H]3CCC[C@@H]3CNC(=O)[O-])cc2[nH]c1=S ZINC000740284296 602976631 /nfs/dbraw/zinc/97/66/31/602976631.db2.gz YRTWGFBBMVUMNO-ZYHUDNBSSA-N -1 1 376.438 1.388 20 0 GDADMM CCOC(=O)CCN(C1CC1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825511729 607598663 /nfs/dbraw/zinc/59/86/63/607598663.db2.gz CEPRGWMLLDDMID-UHFFFAOYSA-N -1 1 399.860 1.626 20 0 GDADMM CCOC(=O)CCN(C1CC1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825511729 607598665 /nfs/dbraw/zinc/59/86/65/607598665.db2.gz CEPRGWMLLDDMID-UHFFFAOYSA-N -1 1 399.860 1.626 20 0 GDADMM CCCCOCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825291221 607598780 /nfs/dbraw/zinc/59/87/80/607598780.db2.gz OHOZOSIIEYITSI-UHFFFAOYSA-N -1 1 393.391 1.981 20 0 GDADMM O=S(=O)(N[C@H]1C[C@@H]1c1cccc(F)c1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826488390 607599300 /nfs/dbraw/zinc/59/93/00/607599300.db2.gz ONLVDOIGHCNBTM-YPMHNXCESA-N -1 1 377.376 1.979 20 0 GDADMM O=S(=O)(N[C@H]1C[C@@H]1c1cccc(F)c1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826488390 607599302 /nfs/dbraw/zinc/59/93/02/607599302.db2.gz ONLVDOIGHCNBTM-YPMHNXCESA-N -1 1 377.376 1.979 20 0 GDADMM NC(=O)Cc1cccc(OS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000826391888 607602517 /nfs/dbraw/zinc/60/25/17/607602517.db2.gz FVWAHYDMDBXGRT-UHFFFAOYSA-N -1 1 393.812 1.316 20 0 GDADMM NC(=O)Cc1cccc(OS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000826391888 607602518 /nfs/dbraw/zinc/60/25/18/607602518.db2.gz FVWAHYDMDBXGRT-UHFFFAOYSA-N -1 1 393.812 1.316 20 0 GDADMM C[C@@H](NC(=O)C(=O)Nc1ccn(-c2ccncc2)n1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738953557 603044206 /nfs/dbraw/zinc/04/42/06/603044206.db2.gz ZLRPEMHBBOTBEI-CHWSQXEVSA-N -1 1 386.412 1.101 20 0 GDADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1ccnc(-c2nn[nH]n2)c1 ZINC000825668133 607603168 /nfs/dbraw/zinc/60/31/68/607603168.db2.gz BKUHPOSDAXWOGM-UHFFFAOYSA-N -1 1 388.409 1.380 20 0 GDADMM COCCOCCCCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826160653 607603594 /nfs/dbraw/zinc/60/35/94/607603594.db2.gz ADJPPNWKYPECBH-UHFFFAOYSA-N -1 1 389.865 1.242 20 0 GDADMM COCCOCCCCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826160653 607603596 /nfs/dbraw/zinc/60/35/96/607603596.db2.gz ADJPPNWKYPECBH-UHFFFAOYSA-N -1 1 389.865 1.242 20 0 GDADMM CC[C@@H]1CN(C(=O)[C@@H](NC(=O)[O-])c2cccc(Cl)c2)CCN1C[C@@H](C)O ZINC000826675886 603058177 /nfs/dbraw/zinc/05/81/77/603058177.db2.gz SUHANRKUZOUQPG-WQVCFCJDSA-N -1 1 383.876 1.952 20 0 GDADMM CN(C)c1ncccc1C(=O)Nc1ccc(-c2nc(CNC(=O)[O-])n[nH]2)cc1 ZINC000739619507 603059238 /nfs/dbraw/zinc/05/92/38/603059238.db2.gz QFLRJFROJIHGTJ-UHFFFAOYSA-N -1 1 381.396 1.953 20 0 GDADMM CN(C)c1ncccc1C(=O)Nc1ccc(-c2n[nH]c(CNC(=O)[O-])n2)cc1 ZINC000739619507 603059241 /nfs/dbraw/zinc/05/92/41/603059241.db2.gz QFLRJFROJIHGTJ-UHFFFAOYSA-N -1 1 381.396 1.953 20 0 GDADMM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000739197600 603110266 /nfs/dbraw/zinc/11/02/66/603110266.db2.gz AQBCJCMDBKHSJM-IUODEOHRSA-N -1 1 377.445 1.275 20 0 GDADMM C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000739202795 603120120 /nfs/dbraw/zinc/12/01/20/603120120.db2.gz PYIMAECOFXOPLT-CJNGLKHVSA-N -1 1 376.457 1.666 20 0 GDADMM COc1ccc(-c2n[nH]c(CNC(=O)N3CCC(N(C)C(=O)[O-])CC3)n2)cc1 ZINC000738082478 603126675 /nfs/dbraw/zinc/12/66/75/603126675.db2.gz MURSLLGTUDPCKX-UHFFFAOYSA-N -1 1 388.428 1.764 20 0 GDADMM COc1ccc(-c2nc(CNC(=O)N3CCC(N(C)C(=O)[O-])CC3)n[nH]2)cc1 ZINC000738082478 603126679 /nfs/dbraw/zinc/12/66/79/603126679.db2.gz MURSLLGTUDPCKX-UHFFFAOYSA-N -1 1 388.428 1.764 20 0 GDADMM COC1(CNC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)CCOCC1 ZINC000826143889 607615703 /nfs/dbraw/zinc/61/57/03/607615703.db2.gz UVVWDVUBGQLLIZ-UHFFFAOYSA-N -1 1 386.412 1.484 20 0 GDADMM COC1(CNC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)CCOCC1 ZINC000826143889 607615704 /nfs/dbraw/zinc/61/57/04/607615704.db2.gz UVVWDVUBGQLLIZ-UHFFFAOYSA-N -1 1 386.412 1.484 20 0 GDADMM CSC[C@@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826227972 607619668 /nfs/dbraw/zinc/61/96/68/607619668.db2.gz AFTNKKNUMOCGTP-SSDOTTSWSA-N -1 1 381.405 1.915 20 0 GDADMM O=S(=O)(NC[C@@H](O)c1ccccc1F)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826489680 607625341 /nfs/dbraw/zinc/62/53/41/607625341.db2.gz XBHZUXBGNQFWAC-CYBMUJFWSA-N -1 1 381.364 1.157 20 0 GDADMM O=S(=O)(c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)N1CCC[C@H](CO)C1 ZINC000826494411 607623487 /nfs/dbraw/zinc/62/34/87/607623487.db2.gz AUKJUXDBPVPSNF-VIFPVBQESA-N -1 1 391.375 1.279 20 0 GDADMM Cc1ccc([C@@H](O)CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cc1 ZINC000826284169 607626720 /nfs/dbraw/zinc/62/67/20/607626720.db2.gz MEALDOOHSKWQDT-ZDUSSCGKSA-N -1 1 393.856 1.840 20 0 GDADMM Cc1ccc([C@@H](O)CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cc1 ZINC000826284169 607626722 /nfs/dbraw/zinc/62/67/22/607626722.db2.gz MEALDOOHSKWQDT-ZDUSSCGKSA-N -1 1 393.856 1.840 20 0 GDADMM O=S(=O)(N[C@H](CO)c1cc(F)ccc1F)c1cccc(F)c1-c1nnn[n-]1 ZINC000826487332 607628603 /nfs/dbraw/zinc/62/86/03/607628603.db2.gz LLOBEJAXEZKDOB-GFCCVEGCSA-N -1 1 399.354 1.296 20 0 GDADMM O=S(=O)(N[C@H](CO)c1cc(F)ccc1F)c1cccc(F)c1-c1nn[n-]n1 ZINC000826487332 607628604 /nfs/dbraw/zinc/62/86/04/607628604.db2.gz LLOBEJAXEZKDOB-GFCCVEGCSA-N -1 1 399.354 1.296 20 0 GDADMM COc1ccc(NC(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)cc1NC(=O)[O-] ZINC000829460440 603453998 /nfs/dbraw/zinc/45/39/98/603453998.db2.gz MCRQOEAGAYZFPT-CYBMUJFWSA-N -1 1 376.373 1.817 20 0 GDADMM C[C@H](CN(C)C(=O)[O-])C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000824875100 603454314 /nfs/dbraw/zinc/45/43/14/603454314.db2.gz ZRPLCLBTQREKCO-LLVKDONJSA-N -1 1 393.425 1.462 20 0 GDADMM CCOc1ccc(CN2CCC[C@@H](C(=O)N3CCN(C(=O)[O-])CC3)C2)nc1 ZINC000827428868 603492241 /nfs/dbraw/zinc/49/22/41/603492241.db2.gz YOKHRWCGKGQXEN-OAHLLOKOSA-N -1 1 376.457 1.515 20 0 GDADMM CC[C@H](O)[C@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825153576 607633149 /nfs/dbraw/zinc/63/31/49/607633149.db2.gz IMPQUCSZRQJOPB-NEPJUHHUSA-N -1 1 385.877 1.834 20 0 GDADMM CC[C@H](O)[C@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825153576 607633151 /nfs/dbraw/zinc/63/31/51/607633151.db2.gz IMPQUCSZRQJOPB-NEPJUHHUSA-N -1 1 385.877 1.834 20 0 GDADMM C[C@H](NC(=O)Nc1cc(C(N)=O)ccc1CN(C)C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000825172229 603562295 /nfs/dbraw/zinc/56/22/95/603562295.db2.gz RFOHGBLRWBGVAN-GXTWGEPZSA-N -1 1 391.472 1.747 20 0 GDADMM O=C([O-])NC[C@H]1CCCN1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000832572542 603579328 /nfs/dbraw/zinc/57/93/28/603579328.db2.gz DAXDDLHFKWXVAF-GFCCVEGCSA-N -1 1 381.230 1.689 20 0 GDADMM O=C([O-])N[C@H](CCC(=O)N1CCN(C[C@H]2CCOC2)CC1)c1ccccc1 ZINC000832121523 603585083 /nfs/dbraw/zinc/58/50/83/603585083.db2.gz WNPLKSTUJFZRMH-SJLPKXTDSA-N -1 1 375.469 1.956 20 0 GDADMM CN(CN1C(=O)N[C@@]2(CCCC[C@H]2CNC(=O)[O-])C1=O)C(C1CC1)C1CC1 ZINC000828345437 603597364 /nfs/dbraw/zinc/59/73/64/603597364.db2.gz CPEWIHMKBZSENZ-IFXJQAMLSA-N -1 1 378.473 1.813 20 0 GDADMM CC(C)[C@H](CCN(C)C(=O)Cn1c(=O)c2ccccc2[nH]c1=S)NC(=O)[O-] ZINC000824080207 603607757 /nfs/dbraw/zinc/60/77/57/603607757.db2.gz XYOJUFKHHXQPHW-ZDUSSCGKSA-N -1 1 392.481 1.826 20 0 GDADMM CC(C)[C@@H](CNC(=O)N(C)C1CCC(NC(=O)[O-])CC1)N1CCN(C)CC1 ZINC000824110644 603618057 /nfs/dbraw/zinc/61/80/57/603618057.db2.gz NKNHEQOMJLTNIY-OFLPRAFFSA-N -1 1 383.537 1.479 20 0 GDADMM O=S(=O)(N[C@H](CO)c1ccc(F)cc1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826487108 607640462 /nfs/dbraw/zinc/64/04/62/607640462.db2.gz DGEJMGYXVJGIHK-GFCCVEGCSA-N -1 1 381.364 1.157 20 0 GDADMM O=S(=O)(N[C@H](CO)c1ccc(F)cc1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826487108 607640465 /nfs/dbraw/zinc/64/04/65/607640465.db2.gz DGEJMGYXVJGIHK-GFCCVEGCSA-N -1 1 381.364 1.157 20 0 GDADMM O=C([O-])NCCc1ccc(CNC(=O)N2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000832671783 603645353 /nfs/dbraw/zinc/64/53/53/603645353.db2.gz HUFOWNPTZBYMAH-SFHVURJKSA-N -1 1 390.484 1.360 20 0 GDADMM C[C@](O)(CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccsc1 ZINC000824671420 607642204 /nfs/dbraw/zinc/64/22/04/607642204.db2.gz YXJOAOURQHQCMT-AWEZNQCLSA-N -1 1 383.430 1.253 20 0 GDADMM C[C@](O)(CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccsc1 ZINC000824671420 607642205 /nfs/dbraw/zinc/64/22/05/607642205.db2.gz YXJOAOURQHQCMT-AWEZNQCLSA-N -1 1 383.430 1.253 20 0 GDADMM C[C@@H](O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000824706902 607643286 /nfs/dbraw/zinc/64/32/86/607643286.db2.gz LLVHBZITSHEWBO-GFCCVEGCSA-N -1 1 391.428 1.578 20 0 GDADMM COc1cc(CCNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)ccc1C ZINC000826179013 607644054 /nfs/dbraw/zinc/64/40/54/607644054.db2.gz VBGVVALVJFPDPT-UHFFFAOYSA-N -1 1 391.428 1.844 20 0 GDADMM COc1cc(CCNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)ccc1C ZINC000826179013 607644056 /nfs/dbraw/zinc/64/40/56/607644056.db2.gz VBGVVALVJFPDPT-UHFFFAOYSA-N -1 1 391.428 1.844 20 0 GDADMM O=S(=O)(N[C@@H](CCO)C1CC1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826487331 607644712 /nfs/dbraw/zinc/64/47/12/607644712.db2.gz LKOAMQJNCLPBNE-NSHDSACASA-N -1 1 391.375 1.325 20 0 GDADMM C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)[C@@H]1CCOC1 ZINC000824640431 607647990 /nfs/dbraw/zinc/64/79/90/607647990.db2.gz IMCFQYGDCHNUBY-RKDXNWHRSA-N -1 1 391.375 1.589 20 0 GDADMM CCc1nc([C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)no1 ZINC000825746122 607652915 /nfs/dbraw/zinc/65/29/15/607652915.db2.gz RTNBROFYBCQTIF-LLVKDONJSA-N -1 1 393.404 1.477 20 0 GDADMM C[C@@H](NC(=O)[O-])C1CCN(C(=O)CCN2CCN(c3ccccn3)CC2)CC1 ZINC000825281810 603765808 /nfs/dbraw/zinc/76/58/08/603765808.db2.gz WMHJQHBQJWOJDS-MRXNPFEDSA-N -1 1 389.500 1.488 20 0 GDADMM C[C@H](CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)Oc1cccc(F)c1 ZINC000824426365 607650241 /nfs/dbraw/zinc/65/02/41/607650241.db2.gz DPTGYUMZJBMWIP-SNVBAGLBSA-N -1 1 395.391 1.891 20 0 GDADMM CCC(CC)(CNC(=O)c1cccc(CN2CCN(C)CC2)c1)NC(=O)[O-] ZINC000826557042 603873436 /nfs/dbraw/zinc/87/34/36/603873436.db2.gz QZZVORKJJJZURX-UHFFFAOYSA-N -1 1 376.501 1.990 20 0 GDADMM COC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1-c1nn[nH]n1)c1ccco1 ZINC000826152449 607659501 /nfs/dbraw/zinc/65/95/01/607659501.db2.gz ZITUGLJFFWJDLS-SNVBAGLBSA-N -1 1 383.817 1.779 20 0 GDADMM O=C([O-])N1CC(N2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)C1 ZINC000831756539 603920065 /nfs/dbraw/zinc/92/00/65/603920065.db2.gz CILXDRMJUBNKCN-JTQLQIEISA-N -1 1 383.246 1.857 20 0 GDADMM CCc1nnc([C@@H]2CN(C(=O)C[C@@H](Cc3ccccc3)NC(=O)[O-])CCO2)[nH]1 ZINC000827620291 603946770 /nfs/dbraw/zinc/94/67/70/603946770.db2.gz HQUTZOKFPSSPPK-CABCVRRESA-N -1 1 387.440 1.536 20 0 GDADMM Cc1ccc(CN2CCCN(C(=O)COC(=O)C[C@H](C)NC(=O)[O-])CC2)cc1 ZINC000830308364 603968603 /nfs/dbraw/zinc/96/86/03/603968603.db2.gz IGFQJSZVPBDVKW-INIZCTEOSA-N -1 1 391.468 1.619 20 0 GDADMM CC(C)[C@@H]1OCCC[C@@H]1CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824230077 607663598 /nfs/dbraw/zinc/66/35/98/607663598.db2.gz ZJPUIJJLOQYKAY-ABAIWWIYSA-N -1 1 383.449 1.735 20 0 GDADMM CCCc1nc([C@@H]2CN(Cc3nc(C(C)(C)NC(=O)[O-])no3)CCO2)n[nH]1 ZINC000826953952 604063630 /nfs/dbraw/zinc/06/36/30/604063630.db2.gz MWPIXHXILKJMLP-JTQLQIEISA-N -1 1 379.421 1.216 20 0 GDADMM CCCc1n[nH]c([C@@H]2CN(Cc3nc(C(C)(C)NC(=O)[O-])no3)CCO2)n1 ZINC000826953952 604063632 /nfs/dbraw/zinc/06/36/32/604063632.db2.gz MWPIXHXILKJMLP-JTQLQIEISA-N -1 1 379.421 1.216 20 0 GDADMM CCOC(=O)c1cnc(N2CCN(C[C@H]3CCCN(C(=O)[O-])C3)CC2)s1 ZINC000827349243 604063896 /nfs/dbraw/zinc/06/38/96/604063896.db2.gz HLOZAXMFGVVCNJ-CYBMUJFWSA-N -1 1 382.486 1.832 20 0 GDADMM O=C([O-])NCCOc1cccc(NC(=O)N2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC000832668067 604138352 /nfs/dbraw/zinc/13/83/52/604138352.db2.gz IZGJDGKTCSSNSU-HNNXBMFYSA-N -1 1 392.456 1.519 20 0 GDADMM O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000832473170 604146084 /nfs/dbraw/zinc/14/60/84/604146084.db2.gz DAXJWYMBLQPENG-WCQYABFASA-N -1 1 376.392 1.846 20 0 GDADMM O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000832473170 604146085 /nfs/dbraw/zinc/14/60/85/604146085.db2.gz DAXJWYMBLQPENG-WCQYABFASA-N -1 1 376.392 1.846 20 0 GDADMM O=S(=O)(N[C@H]1CCOC2(CCCC2)C1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826488914 607675797 /nfs/dbraw/zinc/67/57/97/607675797.db2.gz CITAZMGSSRWHPN-NSHDSACASA-N -1 1 381.433 1.776 20 0 GDADMM O=S(=O)(N[C@H]1CCOC2(CCCC2)C1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826488914 607675799 /nfs/dbraw/zinc/67/57/99/607675799.db2.gz CITAZMGSSRWHPN-NSHDSACASA-N -1 1 381.433 1.776 20 0 GDADMM O=S(=O)(NCCC[C@@H]1CCCC[C@H]1O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826491234 607677470 /nfs/dbraw/zinc/67/74/70/607677470.db2.gz YPJHQQBDVMOBAT-SMDDNHRTSA-N -1 1 383.449 1.615 20 0 GDADMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)c2ccnc(N3CCN(C)CC3)c2)C1 ZINC000825245030 604200512 /nfs/dbraw/zinc/20/05/12/604200512.db2.gz MEDZKIOFVPANCW-GDBMZVCRSA-N -1 1 375.473 1.342 20 0 GDADMM CC(C)(C)NC(=O)CN1CCC(CNC(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)CC1 ZINC000823771523 604251360 /nfs/dbraw/zinc/25/13/60/604251360.db2.gz DEFYGVBHFWJWKK-CABCVRRESA-N -1 1 382.505 1.166 20 0 GDADMM CC(C)[C@](C)(CNC(=O)[O-])NC(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000824058097 604346890 /nfs/dbraw/zinc/34/68/90/604346890.db2.gz WCGKJPPJEIIJLG-SFHVURJKSA-N -1 1 379.461 1.651 20 0 GDADMM Cc1nn(C[C@H](O)Cc2ccccc2C(F)(F)F)c(=O)c(-c2nn[n-]n2)c1C ZINC000826334330 607687987 /nfs/dbraw/zinc/68/79/87/607687987.db2.gz QJTYAHSDEYSLQV-GFCCVEGCSA-N -1 1 394.357 1.663 20 0 GDADMM CS[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)C[C@H]1N(C)C ZINC000833737675 604467247 /nfs/dbraw/zinc/46/72/47/604467247.db2.gz DSNPLSJVNASFDF-CHWSQXEVSA-N -1 1 378.903 1.704 20 0 GDADMM CC(C)[C@H](C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)N1CCCS1(=O)=O ZINC000833466113 604503435 /nfs/dbraw/zinc/50/34/35/604503435.db2.gz SKXRDOSHFAPXSI-CYBMUJFWSA-N -1 1 380.426 1.260 20 0 GDADMM Cc1nc([C@@H]2CN(C(=O)NCc3ccc([C@H](C)NC(=O)[O-])cc3)CCO2)n[nH]1 ZINC000830678669 604616403 /nfs/dbraw/zinc/61/64/03/604616403.db2.gz QDKICBGHQUIZHF-NHYWBVRUSA-N -1 1 388.428 1.725 20 0 GDADMM COc1ccccc1[C@H](CNC(=O)C[C@H]1CN(C(=O)[O-])CCO1)N1CCCC1 ZINC000829591788 604653452 /nfs/dbraw/zinc/65/34/52/604653452.db2.gz HUBCUNCWXAFXOT-RDJZCZTQSA-N -1 1 391.468 1.717 20 0 GDADMM Cc1cc(C[C@@H](C)NC(=O)N[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)n[nH]1 ZINC000832883748 604690161 /nfs/dbraw/zinc/69/01/61/604690161.db2.gz PCLLICHOEKVQQZ-NOZJJQNGSA-N -1 1 391.453 1.514 20 0 GDADMM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)[C@H]2CCCCN2Cc2ccccc2)CCO1 ZINC000825295157 604703039 /nfs/dbraw/zinc/70/30/39/604703039.db2.gz SEZMULDLGQGYKK-CGTJXYLNSA-N -1 1 375.469 1.925 20 0 GDADMM C[C@H](CN(CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)C1CC1)C(=O)[O-] ZINC000827450573 604740103 /nfs/dbraw/zinc/74/01/03/604740103.db2.gz YFEAXZBYWIQFFP-GFCCVEGCSA-N -1 1 383.470 1.061 20 0 GDADMM CC(C)CN1CCO[C@@H](CNC(=O)CN2CC[C@H](C(=O)[O-])c3ccccc32)C1 ZINC000833488646 604775650 /nfs/dbraw/zinc/77/56/50/604775650.db2.gz SODGLOAJAXQPLP-WMZOPIPTSA-N -1 1 389.496 1.538 20 0 GDADMM Cc1ccc(-c2n[nH]c(SCC(=O)N3CC[C@H](CNC(=O)[O-])C3)n2)cc1 ZINC000830161409 604806935 /nfs/dbraw/zinc/80/69/35/604806935.db2.gz ZGCZNZFXZFFYIO-GFCCVEGCSA-N -1 1 375.454 1.988 20 0 GDADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000826293760 607715924 /nfs/dbraw/zinc/71/59/24/607715924.db2.gz AQXGLMFIOOKNGJ-LLVKDONJSA-N -1 1 393.329 1.221 20 0 GDADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CC(=O)Nc1ccc(F)c(F)c1 ZINC000826295051 607716302 /nfs/dbraw/zinc/71/63/02/607716302.db2.gz OKUZWQWSACVFBY-UHFFFAOYSA-N -1 1 397.345 1.802 20 0 GDADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)C1CCN(c2nc3ccccc3o2)CC1 ZINC000833767949 604898802 /nfs/dbraw/zinc/89/88/02/604898802.db2.gz VIWUWUPPSIHRHK-HNNXBMFYSA-N -1 1 383.408 1.579 20 0 GDADMM C[C@@H](OC(=O)c1cncc(C(=O)[O-])c1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000833534814 605016469 /nfs/dbraw/zinc/01/64/69/605016469.db2.gz DAONBARZUAEPSR-KDOFPFPSSA-N -1 1 397.431 1.716 20 0 GDADMM C[C@H](CNS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-])N1CCCC[C@@H]1C ZINC000833616020 605017291 /nfs/dbraw/zinc/01/72/91/605017291.db2.gz VBLGGCRQDXQZTD-WDEREUQCSA-N -1 1 375.878 1.974 20 0 GDADMM CCc1nc([C@H](C)NC(=O)N[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)n[nH]1 ZINC000833675189 605022336 /nfs/dbraw/zinc/02/23/36/605022336.db2.gz YVCXKCZMJALMOP-WPRPVWTQSA-N -1 1 392.441 1.293 20 0 GDADMM C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])s2)CC[C@@H]1N1CCN(C)CC1 ZINC000833632051 605028599 /nfs/dbraw/zinc/02/85/99/605028599.db2.gz SZWNEXOSDWWGAE-OLZOCXBDSA-N -1 1 387.527 1.093 20 0 GDADMM Cc1sc2nc(CCC(=O)N[C@@H](Cc3cnc[nH]3)C(=O)[O-])[nH]c(=O)c2c1C ZINC000833758309 605076318 /nfs/dbraw/zinc/07/63/18/605076318.db2.gz CIEVSJJJYKUHQG-NSHDSACASA-N -1 1 389.437 1.482 20 0 GDADMM CC1CCC(N2C[C@@H](C(=O)N3CCN(CCC(=O)[O-])C[C@H]3C)CC2=O)CC1 ZINC000833602595 605098710 /nfs/dbraw/zinc/09/87/10/605098710.db2.gz GCOAMISCILEMMH-GMRIPVOYSA-N -1 1 379.501 1.421 20 0 GDADMM CC(C)(C)OC(=O)N1CCC(CCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])CC1 ZINC000833435682 605139338 /nfs/dbraw/zinc/13/93/38/605139338.db2.gz RDUZOQJLGLLTEN-HNNXBMFYSA-N -1 1 394.472 1.949 20 0 GDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCc1nnc(-c2ccccc2)o1 ZINC000833624860 605143632 /nfs/dbraw/zinc/14/36/32/605143632.db2.gz LHQLOERFNOUYAI-AWEZNQCLSA-N -1 1 387.440 1.470 20 0 GDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1CCCCN1C(=O)c1ccco1 ZINC000833626229 605162501 /nfs/dbraw/zinc/16/25/01/605162501.db2.gz YXYNGQNTDNIQLR-LSDHHAIUSA-N -1 1 377.441 1.282 20 0 GDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cccnc1OCC(F)(F)F ZINC000833622299 605164431 /nfs/dbraw/zinc/16/44/31/605164431.db2.gz AMQMPXARMSOTQO-NSHDSACASA-N -1 1 375.347 1.644 20 0 GDADMM COc1c(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cccc1C(N)=O ZINC000542057245 605169003 /nfs/dbraw/zinc/16/90/03/605169003.db2.gz QWFLCFDLOUGNIO-UHFFFAOYSA-N -1 1 384.797 1.947 20 0 GDADMM CC(C)Oc1cccc(CNC(=O)CN2CCN(CCC(=O)[O-])C[C@H]2C)c1 ZINC000833507542 605192989 /nfs/dbraw/zinc/19/29/89/605192989.db2.gz UHPIZJYQKVVZSM-MRXNPFEDSA-N -1 1 377.485 1.571 20 0 GDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000833623813 605204621 /nfs/dbraw/zinc/20/46/21/605204621.db2.gz GMGIBVPWWVCEPQ-CYBMUJFWSA-N -1 1 383.452 1.970 20 0 GDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(S[C@@H]2CCOC2=O)cc1 ZINC000833626930 605206525 /nfs/dbraw/zinc/20/65/25/605206525.db2.gz SKMXHPVQOSLJRW-CZUORRHYSA-N -1 1 392.477 1.715 20 0 GDADMM C[C@H](CNC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1)N1CCc2ccccc2C1 ZINC000824921459 605257629 /nfs/dbraw/zinc/25/76/29/605257629.db2.gz FQBCVPDYQNUIDN-CRAIPNDOSA-N -1 1 375.469 1.708 20 0 GDADMM CC1CCC(N2C[C@H](C(=O)N3CCN(CCC(=O)[O-])[C@@H](C)C3)CC2=O)CC1 ZINC000833604895 605276099 /nfs/dbraw/zinc/27/60/99/605276099.db2.gz WYKHMIYZWVTAEZ-VUROTCPHSA-N -1 1 379.501 1.421 20 0 GDADMM Cn1cncc1[C@@H]1CC(=O)N(CN2CCC[C@H]([C@@H]3CCCN3C(=O)[O-])C2)C1 ZINC000833958123 605319128 /nfs/dbraw/zinc/31/91/28/605319128.db2.gz BBYASAZZUMBJLF-XHSDSOJGSA-N -1 1 375.473 1.548 20 0 GDADMM COC(=O)c1cc(NC(=O)CN(C)C[C@@H]2CCCC[C@@H]2O)cc(C(=O)[O-])c1 ZINC000833712509 605393086 /nfs/dbraw/zinc/39/30/86/605393086.db2.gz FIIOYYJLFRDAAY-LRDDRELGSA-N -1 1 378.425 1.593 20 0 GDADMM COC(=O)c1cc(NC(=O)[C@H](C)N(C)C[C@H]2CCCC[C@H]2O)cc(C(=O)[O-])c1 ZINC000833712277 605393706 /nfs/dbraw/zinc/39/37/06/605393706.db2.gz BYBBQFTVSVEMGG-OGHNNQOOSA-N -1 1 392.452 1.981 20 0 GDADMM C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000825833154 605399396 /nfs/dbraw/zinc/39/93/96/605399396.db2.gz ZYKAKGOEVUSYHB-GXFFZTMASA-N -1 1 376.392 1.941 20 0 GDADMM C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000825833154 605399404 /nfs/dbraw/zinc/39/94/04/605399404.db2.gz ZYKAKGOEVUSYHB-GXFFZTMASA-N -1 1 376.392 1.941 20 0 GDADMM C[C@H](NC(=O)[O-])C1CCN(C(=O)C(=O)Nc2cnn(-c3ccncc3)c2)CC1 ZINC000825280596 605492106 /nfs/dbraw/zinc/49/21/06/605492106.db2.gz HVBSDMYEFAKJJW-LBPRGKRZSA-N -1 1 386.412 1.101 20 0 GDADMM CCN(Cc1ccccc1NC(=O)C(=O)N[C@@H](C)Cc1cc(C)[nH]n1)C(=O)[O-] ZINC000827177230 605503153 /nfs/dbraw/zinc/50/31/53/605503153.db2.gz WNWORLGKYQMQAZ-LBPRGKRZSA-N -1 1 387.440 1.904 20 0 GDADMM CCN(Cc1cccc(NC(=O)C(=O)N[C@H](C)Cc2cc(C)[nH]n2)c1)C(=O)[O-] ZINC000827161461 605503400 /nfs/dbraw/zinc/50/34/00/605503400.db2.gz IDUUDGKTNSPGKG-GFCCVEGCSA-N -1 1 387.440 1.904 20 0 GDADMM O=C([O-])N1CCC[C@H]1CNC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000831647729 605616449 /nfs/dbraw/zinc/61/64/49/605616449.db2.gz PIDKYTXDMFQJID-BZSNNMDCSA-N -1 1 390.484 1.311 20 0 GDADMM O=C([O-])N1CCC[C@H]1CNC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000831647730 605616571 /nfs/dbraw/zinc/61/65/71/605616571.db2.gz PIDKYTXDMFQJID-FGTMMUONSA-N -1 1 390.484 1.311 20 0 GDADMM O=C([O-])N1CCC[C@H]1CNC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000831647731 605616643 /nfs/dbraw/zinc/61/66/43/605616643.db2.gz PIDKYTXDMFQJID-OKZBNKHCSA-N -1 1 390.484 1.311 20 0 GDADMM C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824883723 607767759 /nfs/dbraw/zinc/76/77/59/607767759.db2.gz IVULTCDSVANAAR-NWDGAFQWSA-N -1 1 387.444 1.637 20 0 GDADMM C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824883723 607767760 /nfs/dbraw/zinc/76/77/60/607767760.db2.gz IVULTCDSVANAAR-NWDGAFQWSA-N -1 1 387.444 1.637 20 0 GDADMM O=C([O-])N1CCC[C@@H]1C(=O)NC[C@H]1CCCN(Cc2cccc3c2OCO3)C1 ZINC000834027615 605685906 /nfs/dbraw/zinc/68/59/06/605685906.db2.gz OVCDSCWDFJNSRI-GDBMZVCRSA-N -1 1 389.452 1.886 20 0 GDADMM O=C([O-])N1CCC[C@H](NC(=O)CCn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000739268595 605708656 /nfs/dbraw/zinc/70/86/56/605708656.db2.gz NEQQKMOTBOHQPW-NSHDSACASA-N -1 1 376.438 1.334 20 0 GDADMM CC(=O)N1CCCN([C@H]2CN(C(=O)[C@H](CC(C)C)NC(=O)[O-])C[C@H]2C)CC1 ZINC000823555376 605798360 /nfs/dbraw/zinc/79/83/60/605798360.db2.gz CCKRWCCDZXODON-PVAVHDDUSA-N -1 1 382.505 1.070 20 0 GDADMM O=C([O-])N1CC[C@@]2(C1)C[C@H](N[C@@H]1CCCS(=O)(=O)C1)c1ccccc1O2 ZINC000834084195 605851263 /nfs/dbraw/zinc/85/12/63/605851263.db2.gz JKRNXOSSAFBZKJ-XUWXXGDYSA-N -1 1 380.466 1.800 20 0 GDADMM CC(C)CN1CCO[C@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2C(=O)[O-])C1 ZINC000833489144 605882361 /nfs/dbraw/zinc/88/23/61/605882361.db2.gz WNPCVOHEWDLKCY-CYBMUJFWSA-N -1 1 397.859 1.450 20 0 GDADMM Cc1cc(CNC(=O)C(=O)Nc2ccc(Br)cc2C(=O)[O-])n[nH]1 ZINC000833745801 605921078 /nfs/dbraw/zinc/92/10/78/605921078.db2.gz UMZCVPNOHVUZMI-UHFFFAOYSA-N -1 1 381.186 1.434 20 0 GDADMM O=C([O-])NC[C@H]1CCCCN1C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000834215871 605965743 /nfs/dbraw/zinc/96/57/43/605965743.db2.gz NYPJIMDSSJGPCK-QGZVFWFLSA-N -1 1 375.473 1.878 20 0 GDADMM O=C([O-])N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000834252503 605966060 /nfs/dbraw/zinc/96/60/60/605966060.db2.gz KGJROSCUDQUHIP-NHYWBVRUSA-N -1 1 383.412 1.266 20 0 GDADMM O=C([O-])N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H](c2nn[nH]n2)C1 ZINC000834252503 605966063 /nfs/dbraw/zinc/96/60/63/605966063.db2.gz KGJROSCUDQUHIP-NHYWBVRUSA-N -1 1 383.412 1.266 20 0 GDADMM O=C([O-])NC[C@@H]1CCCCN1C(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000834214141 605969730 /nfs/dbraw/zinc/96/97/30/605969730.db2.gz FCZQFSJHCFOHGR-ZDUSSCGKSA-N -1 1 376.392 1.943 20 0 GDADMM O=C([O-])NC[C@@H]1CCCCN1C(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000834214141 605969732 /nfs/dbraw/zinc/96/97/32/605969732.db2.gz FCZQFSJHCFOHGR-ZDUSSCGKSA-N -1 1 376.392 1.943 20 0 GDADMM O=C([O-])N1CCC(C(=O)N2CCC[C@H](c3nn[nH]n3)C2)(c2ccccc2)CC1 ZINC000834070610 605975835 /nfs/dbraw/zinc/97/58/35/605975835.db2.gz DUEXPTORHYIQPW-AWEZNQCLSA-N -1 1 384.440 1.618 20 0 GDADMM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](c1ccccc1)N1CCC(O)CC1 ZINC000834091441 605990896 /nfs/dbraw/zinc/99/08/96/605990896.db2.gz CGCRBUBGOJZPJT-AOIWGVFYSA-N -1 1 387.480 1.928 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)NC(=O)NC1CCCCC1 ZINC000820512246 606133702 /nfs/dbraw/zinc/13/37/02/606133702.db2.gz IELQRYWNTTUBFB-SECBINFHSA-N -1 1 392.441 1.632 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)NC(=O)NC1CCCCC1 ZINC000820512246 606133703 /nfs/dbraw/zinc/13/37/03/606133703.db2.gz IELQRYWNTTUBFB-SECBINFHSA-N -1 1 392.441 1.632 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)s1)Nc1ccc2c(c1)OCCO2 ZINC000823027391 606135839 /nfs/dbraw/zinc/13/58/39/606135839.db2.gz SRVPSONFVQJXGK-UHFFFAOYSA-N -1 1 387.377 1.495 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)s1)Nc1ccc2c(c1)OCCO2 ZINC000823027391 606135841 /nfs/dbraw/zinc/13/58/41/606135841.db2.gz SRVPSONFVQJXGK-UHFFFAOYSA-N -1 1 387.377 1.495 20 0 GDADMM COc1ccccc1[C@H](CC(C)C)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000821882880 606137529 /nfs/dbraw/zinc/13/75/29/606137529.db2.gz MYZNMIITEAISAH-ZDUSSCGKSA-N -1 1 399.455 1.472 20 0 GDADMM Cc1nn(-c2ccccc2)c(COC(=O)c2cc(C(N)=O)c[nH]2)c1-c1nn[n-]n1 ZINC000822487004 606140756 /nfs/dbraw/zinc/14/07/56/606140756.db2.gz XGLGFQCAYIRLBN-UHFFFAOYSA-N -1 1 392.379 1.145 20 0 GDADMM COC[C@@H]([N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F)c1ccc(C)o1 ZINC000821683988 606145307 /nfs/dbraw/zinc/14/53/07/606145307.db2.gz PFJVSSJAFTZECL-GFCCVEGCSA-N -1 1 381.389 1.573 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)n1 ZINC000822613110 606155764 /nfs/dbraw/zinc/15/57/64/606155764.db2.gz APJZICYXEMUUOS-NSHDSACASA-N -1 1 397.226 1.762 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)n1 ZINC000822613110 606155766 /nfs/dbraw/zinc/15/57/66/606155766.db2.gz APJZICYXEMUUOS-NSHDSACASA-N -1 1 397.226 1.762 20 0 GDADMM CC(C)[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccc2c(c1)OCCO2 ZINC000820026339 606156339 /nfs/dbraw/zinc/15/63/39/606156339.db2.gz IKSQHNQYVQQSJY-HNNXBMFYSA-N -1 1 398.427 1.890 20 0 GDADMM CC(C)[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccc2c(c1)OCCO2 ZINC000820026339 606156341 /nfs/dbraw/zinc/15/63/41/606156341.db2.gz IKSQHNQYVQQSJY-HNNXBMFYSA-N -1 1 398.427 1.890 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)n1 ZINC000822609401 606157728 /nfs/dbraw/zinc/15/77/28/606157728.db2.gz NGWLHOLLXYWWSK-UHFFFAOYSA-N -1 1 391.436 1.075 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)n1 ZINC000822609401 606157730 /nfs/dbraw/zinc/15/77/30/606157730.db2.gz NGWLHOLLXYWWSK-UHFFFAOYSA-N -1 1 391.436 1.075 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)n1 ZINC000822614596 606160287 /nfs/dbraw/zinc/16/02/87/606160287.db2.gz OEFJNUZSQBFELA-DZGCQCFKSA-N -1 1 382.428 1.890 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)n1 ZINC000822614596 606160289 /nfs/dbraw/zinc/16/02/89/606160289.db2.gz OEFJNUZSQBFELA-DZGCQCFKSA-N -1 1 382.428 1.890 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccc(N3CCCCC3)nc2)n1 ZINC000822619870 606160292 /nfs/dbraw/zinc/16/02/92/606160292.db2.gz IWBTXLHDLJANGT-UHFFFAOYSA-N -1 1 382.432 1.307 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccc(N3CCCCC3)nc2)n1 ZINC000822619870 606160294 /nfs/dbraw/zinc/16/02/94/606160294.db2.gz IWBTXLHDLJANGT-UHFFFAOYSA-N -1 1 382.432 1.307 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCC(C)(C)c2ccc3c(c2)OCO3)n1 ZINC000822613288 606160327 /nfs/dbraw/zinc/16/03/27/606160327.db2.gz CRUAKAPUCIUYFL-UHFFFAOYSA-N -1 1 384.400 1.428 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCC(C)(C)c2ccc3c(c2)OCO3)n1 ZINC000822613288 606160329 /nfs/dbraw/zinc/16/03/29/606160329.db2.gz CRUAKAPUCIUYFL-UHFFFAOYSA-N -1 1 384.400 1.428 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@H](O)c2ccc3ccccc3c2)n1 ZINC000822614374 606161452 /nfs/dbraw/zinc/16/14/52/606161452.db2.gz MLKHXCWWBGZLSL-HNNXBMFYSA-N -1 1 378.396 1.609 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@H](O)c2ccc3ccccc3c2)n1 ZINC000822614374 606161454 /nfs/dbraw/zinc/16/14/54/606161454.db2.gz MLKHXCWWBGZLSL-HNNXBMFYSA-N -1 1 378.396 1.609 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@@H](O)c2ccc3ccccc3c2)n1 ZINC000822614377 606161523 /nfs/dbraw/zinc/16/15/23/606161523.db2.gz MLKHXCWWBGZLSL-OAHLLOKOSA-N -1 1 378.396 1.609 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@@H](O)c2ccc3ccccc3c2)n1 ZINC000822614377 606161526 /nfs/dbraw/zinc/16/15/26/606161526.db2.gz MLKHXCWWBGZLSL-OAHLLOKOSA-N -1 1 378.396 1.609 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)n1 ZINC000822608668 606162584 /nfs/dbraw/zinc/16/25/84/606162584.db2.gz GMNWTEZKLATSAS-ZDUSSCGKSA-N -1 1 388.819 1.859 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)n1 ZINC000822608668 606162586 /nfs/dbraw/zinc/16/25/86/606162586.db2.gz GMNWTEZKLATSAS-ZDUSSCGKSA-N -1 1 388.819 1.859 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H](c2ccccc2)c2cccnc2)n1 ZINC000822609168 606164578 /nfs/dbraw/zinc/16/45/78/606164578.db2.gz KTGBLIIMVSOCJK-HNNXBMFYSA-N -1 1 375.396 1.906 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H](c2ccccc2)c2cccnc2)n1 ZINC000822609168 606164579 /nfs/dbraw/zinc/16/45/79/606164579.db2.gz KTGBLIIMVSOCJK-HNNXBMFYSA-N -1 1 375.396 1.906 20 0 GDADMM Cc1ccc(N2CCC[C@@H](NC(=O)Nc3nn(C)cc3-c3nnn[n-]3)C2)cc1 ZINC000822241116 606165942 /nfs/dbraw/zinc/16/59/42/606165942.db2.gz LOLWXXBBRVYMDD-CYBMUJFWSA-N -1 1 381.444 1.699 20 0 GDADMM Cc1ccc(N2CCC[C@@H](NC(=O)Nc3nn(C)cc3-c3nn[n-]n3)C2)cc1 ZINC000822241116 606165943 /nfs/dbraw/zinc/16/59/43/606165943.db2.gz LOLWXXBBRVYMDD-CYBMUJFWSA-N -1 1 381.444 1.699 20 0 GDADMM O=C1[C@@H](Nc2cc(-c3nnn[n-]3)nc3ccccc32)CCN1C1CCOCC1 ZINC000823514323 606166776 /nfs/dbraw/zinc/16/67/76/606166776.db2.gz ZCTKEUZJWGDIJY-HNNXBMFYSA-N -1 1 379.424 1.029 20 0 GDADMM O=C1[C@@H](Nc2cc(-c3nn[n-]n3)nc3ccccc32)CCN1C1CCOCC1 ZINC000823514323 606166778 /nfs/dbraw/zinc/16/67/78/606166778.db2.gz ZCTKEUZJWGDIJY-HNNXBMFYSA-N -1 1 379.424 1.029 20 0 GDADMM COc1cccc(N2CC[C@H](NC(=O)Nc3nn(C)cc3-c3nnn[n-]3)C2)c1 ZINC000821871638 606169851 /nfs/dbraw/zinc/16/98/51/606169851.db2.gz BUNNWSPOIWHKBY-NSHDSACASA-N -1 1 383.416 1.009 20 0 GDADMM COc1cccc(N2CC[C@H](NC(=O)Nc3nn(C)cc3-c3nn[n-]n3)C2)c1 ZINC000821871638 606169854 /nfs/dbraw/zinc/16/98/54/606169854.db2.gz BUNNWSPOIWHKBY-NSHDSACASA-N -1 1 383.416 1.009 20 0 GDADMM CCc1nn(Cc2csc([C@@H](C)OC)n2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000821517205 606171436 /nfs/dbraw/zinc/17/14/36/606171436.db2.gz GXJFUISQOOSXHU-SECBINFHSA-N -1 1 375.458 1.760 20 0 GDADMM NC(=O)C1(C(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)CCC1 ZINC000822850924 606184024 /nfs/dbraw/zinc/18/40/24/606184024.db2.gz UAJDYFXBMJGXRM-UHFFFAOYSA-N -1 1 382.449 1.867 20 0 GDADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000821342275 606200402 /nfs/dbraw/zinc/20/04/02/606200402.db2.gz AIDYJCIXMXHXGY-UHFFFAOYSA-N -1 1 377.382 1.115 20 0 GDADMM C[C@@H](C(=O)OC(C)(C)C)N(C)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000819884167 606201683 /nfs/dbraw/zinc/20/16/83/606201683.db2.gz SKEUABFFQLYZIR-VIFPVBQESA-N -1 1 385.421 1.357 20 0 GDADMM C[C@@H](C(=O)OC(C)(C)C)N(C)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000819884167 606201685 /nfs/dbraw/zinc/20/16/85/606201685.db2.gz SKEUABFFQLYZIR-VIFPVBQESA-N -1 1 385.421 1.357 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)O[C@@H](C)c1cnccn1 ZINC000822458597 606206134 /nfs/dbraw/zinc/20/61/34/606206134.db2.gz FHIUKMSHLLNRBP-LBPRGKRZSA-N -1 1 393.411 1.553 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)O[C@@H](C)c1cnccn1 ZINC000822458597 606206136 /nfs/dbraw/zinc/20/61/36/606206136.db2.gz FHIUKMSHLLNRBP-LBPRGKRZSA-N -1 1 393.411 1.553 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)O[C@H](C)c1cnccn1 ZINC000822458596 606206286 /nfs/dbraw/zinc/20/62/86/606206286.db2.gz FHIUKMSHLLNRBP-GFCCVEGCSA-N -1 1 393.411 1.553 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)O[C@H](C)c1cnccn1 ZINC000822458596 606206288 /nfs/dbraw/zinc/20/62/88/606206288.db2.gz FHIUKMSHLLNRBP-GFCCVEGCSA-N -1 1 393.411 1.553 20 0 GDADMM Cc1ccc2c(c1)C(=O)N(CC(=O)Nc1cc(-c3nn[nH]n3)ccc1[O-])C2=O ZINC000822275881 606292813 /nfs/dbraw/zinc/29/28/13/606292813.db2.gz ZAUNGPXHFXIXBO-UHFFFAOYSA-N -1 1 378.348 1.115 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000823289087 606293403 /nfs/dbraw/zinc/29/34/03/606293403.db2.gz AUUWIDNPPXNXGN-AWEZNQCLSA-N -1 1 393.407 1.458 20 0 GDADMM CN1C(=O)CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c2ccccc21 ZINC000821620198 606331692 /nfs/dbraw/zinc/33/16/92/606331692.db2.gz BKGHWJNMPQCYNP-UHFFFAOYSA-N -1 1 388.384 1.178 20 0 GDADMM CN1C(=O)CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c2ccccc21 ZINC000821620198 606331693 /nfs/dbraw/zinc/33/16/93/606331693.db2.gz BKGHWJNMPQCYNP-UHFFFAOYSA-N -1 1 388.384 1.178 20 0 GDADMM CCC[C@@H]1C[C@H]1NC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000821034622 606442017 /nfs/dbraw/zinc/44/20/17/606442017.db2.gz PXCFHUKVDUPUIV-CHWSQXEVSA-N -1 1 386.460 1.752 20 0 GDADMM CCC[C@@H]1C[C@@H]1NC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000821034623 606442088 /nfs/dbraw/zinc/44/20/88/606442088.db2.gz PXCFHUKVDUPUIV-OLZOCXBDSA-N -1 1 386.460 1.752 20 0 GDADMM O=C(NCC(F)F)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000823166765 606442311 /nfs/dbraw/zinc/44/23/11/606442311.db2.gz ORTAKUZOMWICFI-UHFFFAOYSA-N -1 1 394.342 1.211 20 0 GDADMM O=S(=O)(CCNc1ccc(Cl)c(-c2nnn[n-]2)n1)NCc1ccccc1 ZINC000823562232 606456264 /nfs/dbraw/zinc/45/62/64/606456264.db2.gz OWVYCXVVHAWYPZ-UHFFFAOYSA-N -1 1 393.860 1.447 20 0 GDADMM O=S(=O)(CCNc1ccc(Cl)c(-c2nn[n-]n2)n1)NCc1ccccc1 ZINC000823562232 606456265 /nfs/dbraw/zinc/45/62/65/606456265.db2.gz OWVYCXVVHAWYPZ-UHFFFAOYSA-N -1 1 393.860 1.447 20 0 GDADMM O=C(NCc1nnc2ccc(C(F)(F)F)cn21)c1ccc(-c2nnn[n-]2)s1 ZINC000823269451 606499652 /nfs/dbraw/zinc/49/96/52/606499652.db2.gz GVHXPPAZDRLUJT-UHFFFAOYSA-N -1 1 394.342 1.920 20 0 GDADMM O=C(NCc1nnc2ccc(C(F)(F)F)cn21)c1ccc(-c2nn[n-]n2)s1 ZINC000823269451 606499653 /nfs/dbraw/zinc/49/96/53/606499653.db2.gz GVHXPPAZDRLUJT-UHFFFAOYSA-N -1 1 394.342 1.920 20 0 GDADMM O=C(Nc1nncs1)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000823382623 606515942 /nfs/dbraw/zinc/51/59/42/606515942.db2.gz AZSWVNWOYGZTEM-UHFFFAOYSA-N -1 1 390.454 1.271 20 0 GDADMM O=C(Nc1nncs1)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000823382623 606515943 /nfs/dbraw/zinc/51/59/43/606515943.db2.gz AZSWVNWOYGZTEM-UHFFFAOYSA-N -1 1 390.454 1.271 20 0 GDADMM O=C(NCc1ccc(CN2CCCC2=O)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823249500 606530214 /nfs/dbraw/zinc/53/02/14/606530214.db2.gz BDJOHTFLTOQMBR-UHFFFAOYSA-N -1 1 382.449 1.981 20 0 GDADMM O=C(NCc1ccc(CN2CCCC2=O)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823249500 606530216 /nfs/dbraw/zinc/53/02/16/606530216.db2.gz BDJOHTFLTOQMBR-UHFFFAOYSA-N -1 1 382.449 1.981 20 0 GDADMM O=C(COc1ccc(Br)cc1F)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000823041325 606532506 /nfs/dbraw/zinc/53/25/06/606532506.db2.gz YWWOBIBGYKYGTP-UHFFFAOYSA-N -1 1 382.153 1.509 20 0 GDADMM O=C(COc1ccc(Br)cc1F)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000823041325 606532508 /nfs/dbraw/zinc/53/25/08/606532508.db2.gz YWWOBIBGYKYGTP-UHFFFAOYSA-N -1 1 382.153 1.509 20 0 GDADMM CCOCCCN(C[C@H](C)C(=O)OC)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821378694 606562946 /nfs/dbraw/zinc/56/29/46/606562946.db2.gz SGQIKNVCCFRCTL-NSHDSACASA-N -1 1 381.458 1.606 20 0 GDADMM CCOCCCN(C[C@H](C)C(=O)OC)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821378694 606562949 /nfs/dbraw/zinc/56/29/49/606562949.db2.gz SGQIKNVCCFRCTL-NSHDSACASA-N -1 1 381.458 1.606 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@@H](C)c1ccncc1 ZINC000822006118 606588695 /nfs/dbraw/zinc/58/86/95/606588695.db2.gz YDBVYLPAMZHYDX-LLVKDONJSA-N -1 1 381.440 1.832 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)C1 ZINC000819933612 606647810 /nfs/dbraw/zinc/64/78/10/606647810.db2.gz XKHFPTBJBSYZRG-KRWDZBQOSA-N -1 1 392.391 1.654 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)C1 ZINC000819933612 606647811 /nfs/dbraw/zinc/64/78/11/606647811.db2.gz XKHFPTBJBSYZRG-KRWDZBQOSA-N -1 1 392.391 1.654 20 0 GDADMM CC(C)CNC(=O)N1CCC[C@H](C(=O)OCc2ccnc(-c3nnn[n-]3)c2)C1 ZINC000820096711 606649351 /nfs/dbraw/zinc/64/93/51/606649351.db2.gz GGVSHGIXCJIITD-AWEZNQCLSA-N -1 1 387.444 1.383 20 0 GDADMM CC(C)CNC(=O)N1CCC[C@H](C(=O)OCc2ccnc(-c3nn[n-]n3)c2)C1 ZINC000820096711 606649352 /nfs/dbraw/zinc/64/93/52/606649352.db2.gz GGVSHGIXCJIITD-AWEZNQCLSA-N -1 1 387.444 1.383 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)OCc2ccnc(-c3nnn[n-]3)c2)C1 ZINC000819940332 606649849 /nfs/dbraw/zinc/64/98/49/606649849.db2.gz XLNAKDYYTFCXMY-QWHCGFSZSA-N -1 1 388.428 1.998 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)OCc2ccnc(-c3nn[n-]n3)c2)C1 ZINC000819940332 606649850 /nfs/dbraw/zinc/64/98/50/606649850.db2.gz XLNAKDYYTFCXMY-QWHCGFSZSA-N -1 1 388.428 1.998 20 0 GDADMM CC(C)(C)OC(=O)NC(C)(C)CC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000819976274 606649879 /nfs/dbraw/zinc/64/98/79/606649879.db2.gz SNDLFHPFKQGWHP-UHFFFAOYSA-N -1 1 376.417 1.998 20 0 GDADMM CC(C)(C)OC(=O)NC(C)(C)CC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000819976274 606649880 /nfs/dbraw/zinc/64/98/80/606649880.db2.gz SNDLFHPFKQGWHP-UHFFFAOYSA-N -1 1 376.417 1.998 20 0 GDADMM CCO[C@H](CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)C(C)C ZINC000821351013 606738131 /nfs/dbraw/zinc/73/81/31/606738131.db2.gz IRRRXCYVHCULAL-ZIAGYGMSSA-N -1 1 388.476 1.145 20 0 GDADMM CCO[C@H](CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)C(C)C ZINC000821351013 606738132 /nfs/dbraw/zinc/73/81/32/606738132.db2.gz IRRRXCYVHCULAL-ZIAGYGMSSA-N -1 1 388.476 1.145 20 0 GDADMM COc1coc(CN2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)cc1=O ZINC000821911566 606747814 /nfs/dbraw/zinc/74/78/14/606747814.db2.gz YJHMDCDKSXMEEI-UHFFFAOYSA-N -1 1 399.411 1.016 20 0 GDADMM COC[C@@H](C)CC(=O)OCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000821681883 606760332 /nfs/dbraw/zinc/76/03/32/606760332.db2.gz URAKUWPNECURGW-LBPRGKRZSA-N -1 1 399.411 1.207 20 0 GDADMM COC[C@@H](C)CC(=O)OCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000821681883 606760334 /nfs/dbraw/zinc/76/03/34/606760334.db2.gz URAKUWPNECURGW-LBPRGKRZSA-N -1 1 399.411 1.207 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCc1cccs1 ZINC000820788472 606762935 /nfs/dbraw/zinc/76/29/35/606762935.db2.gz HUUSPNVRFMRGHV-LBPRGKRZSA-N -1 1 399.484 1.181 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCc1cccs1 ZINC000820788472 606762937 /nfs/dbraw/zinc/76/29/37/606762937.db2.gz HUUSPNVRFMRGHV-LBPRGKRZSA-N -1 1 399.484 1.181 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCc1ccccc1F ZINC000820788387 606767452 /nfs/dbraw/zinc/76/74/52/606767452.db2.gz FYEYJTCBKHQIEO-GFCCVEGCSA-N -1 1 397.418 1.216 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCc1ccccc1F ZINC000820788387 606767454 /nfs/dbraw/zinc/76/74/54/606767454.db2.gz FYEYJTCBKHQIEO-GFCCVEGCSA-N -1 1 397.418 1.216 20 0 GDADMM Cc1cccc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1 ZINC000822324317 606768673 /nfs/dbraw/zinc/76/86/73/606768673.db2.gz ZVNFXOFGOSLHTK-ZDUSSCGKSA-N -1 1 379.428 1.708 20 0 GDADMM Cc1cccc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1 ZINC000822324317 606768675 /nfs/dbraw/zinc/76/86/75/606768675.db2.gz ZVNFXOFGOSLHTK-ZDUSSCGKSA-N -1 1 379.428 1.708 20 0 GDADMM C[C@H](NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1ccccc1 ZINC000820349796 606791619 /nfs/dbraw/zinc/79/16/19/606791619.db2.gz IKWZASMYFGZENJ-KGLIPLIRSA-N -1 1 393.455 1.638 20 0 GDADMM C[C@H](NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1ccccc1 ZINC000820349796 606791622 /nfs/dbraw/zinc/79/16/22/606791622.db2.gz IKWZASMYFGZENJ-KGLIPLIRSA-N -1 1 393.455 1.638 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OC[C@@H]1CCSC1 ZINC000822459732 606801536 /nfs/dbraw/zinc/80/15/36/606801536.db2.gz UPJTZPMGGGIPDK-LBPRGKRZSA-N -1 1 387.469 1.755 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OC[C@@H]1CCSC1 ZINC000822459732 606801538 /nfs/dbraw/zinc/80/15/38/606801538.db2.gz UPJTZPMGGGIPDK-LBPRGKRZSA-N -1 1 387.469 1.755 20 0 GDADMM CCc1ccsc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821497140 606818557 /nfs/dbraw/zinc/81/85/57/606818557.db2.gz PXNAEPFMOSKIDX-LLVKDONJSA-N -1 1 384.469 1.632 20 0 GDADMM CCc1ccsc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821497140 606818560 /nfs/dbraw/zinc/81/85/60/606818560.db2.gz PXNAEPFMOSKIDX-LLVKDONJSA-N -1 1 384.469 1.632 20 0 GDADMM C[C@@H](CC1CCCC1)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820235002 606821138 /nfs/dbraw/zinc/82/11/38/606821138.db2.gz QADIQDZXIFAHQW-UONOGXRCSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](CC1CCCC1)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820235002 606821139 /nfs/dbraw/zinc/82/11/39/606821139.db2.gz QADIQDZXIFAHQW-UONOGXRCSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C=Cc1ccccc1 ZINC000820778051 606821782 /nfs/dbraw/zinc/82/17/82/606821782.db2.gz UUFIUUUCOFKFAQ-WBTMPAOCSA-N -1 1 376.424 1.407 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C=Cc1ccccc1 ZINC000820778051 606821784 /nfs/dbraw/zinc/82/17/84/606821784.db2.gz UUFIUUUCOFKFAQ-WBTMPAOCSA-N -1 1 376.424 1.407 20 0 GDADMM C[C@@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1ccccc1F ZINC000819856982 606822353 /nfs/dbraw/zinc/82/23/53/606822353.db2.gz NTFMOSHRDUKDSR-CHWSQXEVSA-N -1 1 396.430 1.637 20 0 GDADMM C[C@@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1ccccc1F ZINC000819856982 606822355 /nfs/dbraw/zinc/82/23/55/606822355.db2.gz NTFMOSHRDUKDSR-CHWSQXEVSA-N -1 1 396.430 1.637 20 0 GDADMM Cc1ccc(CCC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)o1 ZINC000822234615 606822422 /nfs/dbraw/zinc/82/24/22/606822422.db2.gz BLMRBXJYBGUVID-GFCCVEGCSA-N -1 1 382.428 1.228 20 0 GDADMM Cc1ccc(CCC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)o1 ZINC000822234615 606822423 /nfs/dbraw/zinc/82/24/23/606822423.db2.gz BLMRBXJYBGUVID-GFCCVEGCSA-N -1 1 382.428 1.228 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cccc(Cl)c1 ZINC000820788846 606824707 /nfs/dbraw/zinc/82/47/07/606824707.db2.gz PGIHHMVMBKNCHW-NSHDSACASA-N -1 1 384.831 1.661 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cccc(Cl)c1 ZINC000820788846 606824708 /nfs/dbraw/zinc/82/47/08/606824708.db2.gz PGIHHMVMBKNCHW-NSHDSACASA-N -1 1 384.831 1.661 20 0 GDADMM Cc1cc(C)cc(OCCN(C)C(=O)Cn2cccc(-c3nn[n-]n3)c2=O)c1 ZINC000822197957 606825363 /nfs/dbraw/zinc/82/53/63/606825363.db2.gz WEZDKZSOSWFYCP-UHFFFAOYSA-N -1 1 382.424 1.183 20 0 GDADMM CSc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)o1 ZINC000821976547 606825657 /nfs/dbraw/zinc/82/56/57/606825657.db2.gz BMTBIDHRFAGSAI-JTQLQIEISA-N -1 1 386.441 1.323 20 0 GDADMM CSc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)o1 ZINC000821976547 606825659 /nfs/dbraw/zinc/82/56/59/606825659.db2.gz BMTBIDHRFAGSAI-JTQLQIEISA-N -1 1 386.441 1.323 20 0 GDADMM CC(C)CC[C@H](C)NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820072951 606825994 /nfs/dbraw/zinc/82/59/94/606825994.db2.gz OTXFRDYZCOJSHW-KBPBESRZSA-N -1 1 387.492 1.702 20 0 GDADMM CC(C)CC[C@H](C)NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820072951 606825996 /nfs/dbraw/zinc/82/59/96/606825996.db2.gz OTXFRDYZCOJSHW-KBPBESRZSA-N -1 1 387.492 1.702 20 0 GDADMM Cc1ncc(C=CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)s1 ZINC000822468075 606832127 /nfs/dbraw/zinc/83/21/27/606832127.db2.gz WXLNHQWJLONWBG-PGLGOXFNSA-N -1 1 397.468 1.172 20 0 GDADMM Cc1ncc(C=CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)s1 ZINC000822468075 606832128 /nfs/dbraw/zinc/83/21/28/606832128.db2.gz WXLNHQWJLONWBG-PGLGOXFNSA-N -1 1 397.468 1.172 20 0 GDADMM CN(Cc1nc2ccccc2[nH]1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821616686 606841010 /nfs/dbraw/zinc/84/10/10/606841010.db2.gz BXMGRWOEHYQNNR-UHFFFAOYSA-N -1 1 387.400 1.703 20 0 GDADMM CCCC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000821002876 606844011 /nfs/dbraw/zinc/84/40/11/606844011.db2.gz ZSCQFNBXWUEFNX-GFCCVEGCSA-N -1 1 396.448 1.075 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000823606244 606847346 /nfs/dbraw/zinc/84/73/46/606847346.db2.gz HHKKIFKGBKKNEL-NEPJUHHUSA-N -1 1 399.860 1.089 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000823606244 606847347 /nfs/dbraw/zinc/84/73/47/606847347.db2.gz HHKKIFKGBKKNEL-NEPJUHHUSA-N -1 1 399.860 1.089 20 0 GDADMM CCS[C@@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)C(C)C ZINC000821449591 606855452 /nfs/dbraw/zinc/85/54/52/606855452.db2.gz VMOOAVYTIQVSCY-GXTWGEPZSA-N -1 1 390.517 1.472 20 0 GDADMM CCS[C@@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)C(C)C ZINC000821449591 606855454 /nfs/dbraw/zinc/85/54/54/606855454.db2.gz VMOOAVYTIQVSCY-GXTWGEPZSA-N -1 1 390.517 1.472 20 0 GDADMM CSc1ccccc1C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821983475 606855546 /nfs/dbraw/zinc/85/55/46/606855546.db2.gz ICBGDGTZRJCXKJ-GFCCVEGCSA-N -1 1 396.480 1.730 20 0 GDADMM CSc1ccccc1C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821983475 606855548 /nfs/dbraw/zinc/85/55/48/606855548.db2.gz ICBGDGTZRJCXKJ-GFCCVEGCSA-N -1 1 396.480 1.730 20 0 GDADMM COCc1cccc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)c1 ZINC000821695667 606886856 /nfs/dbraw/zinc/88/68/56/606886856.db2.gz BZXFVLCTMGORHS-UHFFFAOYSA-N -1 1 395.391 1.770 20 0 GDADMM CCc1nnc(Oc2ccc(O[C@@H](C)C(N)=O)cc2)c(-c2nnn[n-]2)c1CC ZINC000821548722 606938965 /nfs/dbraw/zinc/93/89/65/606938965.db2.gz VKXUKFCUWURXRG-JTQLQIEISA-N -1 1 383.412 1.826 20 0 GDADMM CCc1nnc(Oc2ccc(O[C@@H](C)C(N)=O)cc2)c(-c2nn[n-]n2)c1CC ZINC000821548722 606938966 /nfs/dbraw/zinc/93/89/66/606938966.db2.gz VKXUKFCUWURXRG-JTQLQIEISA-N -1 1 383.412 1.826 20 0 GDADMM CC(C)c1nc(CN(C)[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)C2)no1 ZINC000820203884 606954318 /nfs/dbraw/zinc/95/43/18/606954318.db2.gz YRJLQDDNPIWHDE-ZDUSSCGKSA-N -1 1 397.443 1.115 20 0 GDADMM CC(C)c1nc(CN(C)[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)C2)no1 ZINC000820203884 606954320 /nfs/dbraw/zinc/95/43/20/606954320.db2.gz YRJLQDDNPIWHDE-ZDUSSCGKSA-N -1 1 397.443 1.115 20 0 GDADMM Cc1cccc2c(=O)n(CCC(=O)Nc3ncc(-c4nnn[n-]4)s3)cnc12 ZINC000822333107 607023917 /nfs/dbraw/zinc/02/39/17/607023917.db2.gz WPZRTXMBIBQTNW-UHFFFAOYSA-N -1 1 382.409 1.370 20 0 GDADMM Cc1cccc2c(=O)n(CCC(=O)Nc3ncc(-c4nn[n-]n4)s3)cnc12 ZINC000822333107 607023918 /nfs/dbraw/zinc/02/39/18/607023918.db2.gz WPZRTXMBIBQTNW-UHFFFAOYSA-N -1 1 382.409 1.370 20 0 GDADMM Cc1cc(=O)[nH]cc1C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000822160244 607025703 /nfs/dbraw/zinc/02/57/03/607025703.db2.gz FVFDZIXFORRRKW-UHFFFAOYSA-N -1 1 396.411 1.104 20 0 GDADMM CCS[C@@H](C)c1noc(CN(C)C(=O)Nc2nn(C)cc2-c2nnn[n-]2)n1 ZINC000821446414 607070351 /nfs/dbraw/zinc/07/03/51/607070351.db2.gz AGTSYGGZRVNETP-QMMMGPOBSA-N -1 1 392.449 1.461 20 0 GDADMM CCS[C@@H](C)c1noc(CN(C)C(=O)Nc2nn(C)cc2-c2nn[n-]n2)n1 ZINC000821446414 607070352 /nfs/dbraw/zinc/07/03/52/607070352.db2.gz AGTSYGGZRVNETP-QMMMGPOBSA-N -1 1 392.449 1.461 20 0 GDADMM C[C@H]1OCCN(CC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)[C@H]1C ZINC000820819105 607104385 /nfs/dbraw/zinc/10/43/85/607104385.db2.gz FAGODEWOHYACLJ-QWHCGFSZSA-N -1 1 382.428 1.100 20 0 GDADMM C[C@H]1OCCN(CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)[C@H]1C ZINC000820819105 607104386 /nfs/dbraw/zinc/10/43/86/607104386.db2.gz FAGODEWOHYACLJ-QWHCGFSZSA-N -1 1 382.428 1.100 20 0 GDADMM CC(=O)N(Cc1ncc(C(C)C)o1)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC000819789584 607125704 /nfs/dbraw/zinc/12/57/04/607125704.db2.gz VCAKXOVCJXPQHG-ZDUSSCGKSA-N -1 1 397.443 1.396 20 0 GDADMM CC(=O)N(Cc1ncc(C(C)C)o1)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC000819789584 607125705 /nfs/dbraw/zinc/12/57/05/607125705.db2.gz VCAKXOVCJXPQHG-ZDUSSCGKSA-N -1 1 397.443 1.396 20 0 GDADMM O=S(=O)([N-]c1cc(CC2CCCCC2)[nH]n1)c1ccc(-c2nn[nH]n2)nc1 ZINC000823583546 607153119 /nfs/dbraw/zinc/15/31/19/607153119.db2.gz SYWOOXIGJPMLHB-UHFFFAOYSA-N -1 1 388.457 1.908 20 0 GDADMM O=C(OCc1nc(-c2ccc(F)c(F)c2)no1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823440392 607155733 /nfs/dbraw/zinc/15/57/33/607155733.db2.gz QYHVJASYSBLYJD-UHFFFAOYSA-N -1 1 385.290 1.947 20 0 GDADMM O=C(OCc1nc(-c2ccc(F)c(F)c2)no1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823440392 607155734 /nfs/dbraw/zinc/15/57/34/607155734.db2.gz QYHVJASYSBLYJD-UHFFFAOYSA-N -1 1 385.290 1.947 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Oc1ccc(NC(=O)c2ccccc2)cc1 ZINC000823136173 607157405 /nfs/dbraw/zinc/15/74/05/607157405.db2.gz NFWLNNMHQRMZOM-UHFFFAOYSA-N -1 1 390.363 1.316 20 0 GDADMM CCc1cc(C)c(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)o1 ZINC000821469712 607159855 /nfs/dbraw/zinc/15/98/55/607159855.db2.gz IHBKRWLCPBQZQC-LBPRGKRZSA-N -1 1 382.428 1.471 20 0 GDADMM CCc1cc(C)c(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)o1 ZINC000821469712 607159856 /nfs/dbraw/zinc/15/98/56/607159856.db2.gz IHBKRWLCPBQZQC-LBPRGKRZSA-N -1 1 382.428 1.471 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc1-c1nn[n-]n1 ZINC000821970468 607159897 /nfs/dbraw/zinc/15/98/97/607159897.db2.gz OCGKYIXXPSHZTB-DYZYQPBXSA-N -1 1 390.469 1.456 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N(C)CCCn1ccnc1 ZINC000822004200 607164883 /nfs/dbraw/zinc/16/48/83/607164883.db2.gz CDBQMODCUBCSRF-UHFFFAOYSA-N -1 1 384.444 1.262 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@H]2CCOC3(CCCC3)C2)cc1-c1nn[n-]n1 ZINC000821976611 607166970 /nfs/dbraw/zinc/16/69/70/607166970.db2.gz BYTPISIKCUIMBK-JTQLQIEISA-N -1 1 390.469 1.911 20 0 GDADMM COc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1Cc1ccccc1 ZINC000821832075 607205755 /nfs/dbraw/zinc/20/57/55/607205755.db2.gz YNDTXZZLYFSRIE-UHFFFAOYSA-N -1 1 390.407 1.696 20 0 GDADMM COc1ccccc1Oc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000821903216 607205779 /nfs/dbraw/zinc/20/57/79/607205779.db2.gz DIJAUZBFMVPNHT-UHFFFAOYSA-N -1 1 392.379 1.898 20 0 GDADMM Cc1sc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)nc1-c1ccc(C)cc1 ZINC000822214144 607208919 /nfs/dbraw/zinc/20/89/19/607208919.db2.gz QVSLFARHJSCMPR-UHFFFAOYSA-N -1 1 381.425 1.837 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000823125683 607212632 /nfs/dbraw/zinc/21/26/32/607212632.db2.gz AVXCWPDFKCRNTA-UHFFFAOYSA-N -1 1 379.211 1.350 20 0 GDADMM COc1ccc(Oc2ccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)cn2)cc1 ZINC000821845973 607219802 /nfs/dbraw/zinc/21/98/02/607219802.db2.gz MUBHGFSQTJWYCB-UHFFFAOYSA-N -1 1 393.367 1.293 20 0 GDADMM C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820821298 607222370 /nfs/dbraw/zinc/22/23/70/607222370.db2.gz SCPNMHWJXOAXGI-QMMMGPOBSA-N -1 1 393.238 1.911 20 0 GDADMM CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825122430 607775128 /nfs/dbraw/zinc/77/51/28/607775128.db2.gz ZLTMTPDNDORUAZ-ZDUSSCGKSA-N -1 1 386.437 1.244 20 0 GDADMM CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825122430 607775129 /nfs/dbraw/zinc/77/51/29/607775129.db2.gz ZLTMTPDNDORUAZ-ZDUSSCGKSA-N -1 1 386.437 1.244 20 0 GDADMM CC[C@H]1CN(C(=O)C(C)C)CC[C@H]1NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000825201626 607803846 /nfs/dbraw/zinc/80/38/46/607803846.db2.gz INMIPISFNXTXMU-WCQYABFASA-N -1 1 389.464 1.005 20 0 GDADMM CC[C@H]1CN(C(=O)C(C)C)CC[C@H]1NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000825201626 607803847 /nfs/dbraw/zinc/80/38/47/607803847.db2.gz INMIPISFNXTXMU-WCQYABFASA-N -1 1 389.464 1.005 20 0 GDADMM CC(=O)OC1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000824009794 607811616 /nfs/dbraw/zinc/81/16/16/607811616.db2.gz DSMOGUUBGLMWCS-UHFFFAOYSA-N -1 1 385.833 1.236 20 0 GDADMM CC(=O)OC1CCN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000824009794 607811617 /nfs/dbraw/zinc/81/16/17/607811617.db2.gz DSMOGUUBGLMWCS-UHFFFAOYSA-N -1 1 385.833 1.236 20 0 GDADMM CO[C@@H](CNS(=O)(=O)c1cc(F)c(Br)cc1F)CC(=O)[O-] ZINC000530382931 649972086 /nfs/dbraw/zinc/97/20/86/649972086.db2.gz GYPPVGZHZLWABP-ZCFIWIBFSA-N -1 1 388.186 1.495 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCC(c2ccccn2)CC1 ZINC000826495236 607818962 /nfs/dbraw/zinc/81/89/62/607818962.db2.gz HYHSAGSINWMJGO-UHFFFAOYSA-N -1 1 388.428 1.969 20 0 GDADMM Cc1cnc(CCN(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)s1 ZINC000826318747 607852952 /nfs/dbraw/zinc/85/29/52/607852952.db2.gz XINZYHBFFTUZGR-UHFFFAOYSA-N -1 1 382.446 1.634 20 0 GDADMM CCOC(=O)[C@H]1CCCN(C(=O)COc2cccc(F)c2-c2nnn[n-]2)C1 ZINC000825499999 607864389 /nfs/dbraw/zinc/86/43/89/607864389.db2.gz ZZGGJQUEBFOCDT-NSHDSACASA-N -1 1 377.376 1.186 20 0 GDADMM CCOC(=O)[C@H]1CCCN(C(=O)COc2cccc(F)c2-c2nn[n-]n2)C1 ZINC000825499999 607864390 /nfs/dbraw/zinc/86/43/90/607864390.db2.gz ZZGGJQUEBFOCDT-NSHDSACASA-N -1 1 377.376 1.186 20 0 GDADMM CCNC(=O)c1cccc(NC(=O)COc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000825476442 607866042 /nfs/dbraw/zinc/86/60/42/607866042.db2.gz KFLYIFOIVYSKLO-UHFFFAOYSA-N -1 1 384.371 1.773 20 0 GDADMM CCNC(=O)c1cccc(NC(=O)COc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000825476442 607866043 /nfs/dbraw/zinc/86/60/43/607866043.db2.gz KFLYIFOIVYSKLO-UHFFFAOYSA-N -1 1 384.371 1.773 20 0 GDADMM O=S(=O)(Oc1cccc(F)c1-c1nnn[n-]1)c1cccc2nsnc21 ZINC000826493545 607868108 /nfs/dbraw/zinc/86/81/08/607868108.db2.gz PZAGKVVTUYWZDG-UHFFFAOYSA-N -1 1 378.370 1.778 20 0 GDADMM O=S(=O)(Oc1cccc(F)c1-c1nn[n-]n1)c1cccc2nsnc21 ZINC000826493545 607868109 /nfs/dbraw/zinc/86/81/09/607868109.db2.gz PZAGKVVTUYWZDG-UHFFFAOYSA-N -1 1 378.370 1.778 20 0 GDADMM CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)OC(C)(C)C ZINC000825679821 607907157 /nfs/dbraw/zinc/90/71/57/607907157.db2.gz IWDXCLGPMZFFTO-GWCFXTLKSA-N -1 1 396.473 1.296 20 0 GDADMM CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)OC(C)(C)C ZINC000825679821 607907158 /nfs/dbraw/zinc/90/71/58/607907158.db2.gz IWDXCLGPMZFFTO-GWCFXTLKSA-N -1 1 396.473 1.296 20 0 GDADMM CC(C)(C)OC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824099880 607972458 /nfs/dbraw/zinc/97/24/58/607972458.db2.gz LADWXJBAMJCOFU-ZDUSSCGKSA-N -1 1 394.457 1.147 20 0 GDADMM CC(C)(C)OC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824099880 607972459 /nfs/dbraw/zinc/97/24/59/607972459.db2.gz LADWXJBAMJCOFU-ZDUSSCGKSA-N -1 1 394.457 1.147 20 0 GDADMM O[C@H](CNc1ccc(-c2nnn[n-]2)nn1)COc1cccc(Cl)c1Cl ZINC000826502868 607989986 /nfs/dbraw/zinc/98/99/86/607989986.db2.gz LTRCCDKWNCUZFC-MRVPVSSYSA-N -1 1 382.211 1.815 20 0 GDADMM O[C@H](CNc1ccc(-c2nn[n-]n2)nn1)COc1cccc(Cl)c1Cl ZINC000826502868 607989987 /nfs/dbraw/zinc/98/99/87/607989987.db2.gz LTRCCDKWNCUZFC-MRVPVSSYSA-N -1 1 382.211 1.815 20 0 GDADMM Cn1[nH]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826354571 607998680 /nfs/dbraw/zinc/99/86/80/607998680.db2.gz LDRFDSSLWKPWPO-UHFFFAOYSA-N -1 1 392.379 1.689 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@](C)(O)C(F)(F)F ZINC000826341044 608042317 /nfs/dbraw/zinc/04/23/17/608042317.db2.gz UPIWKYPTHHECFV-AWEZNQCLSA-N -1 1 384.318 1.602 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@](C)(O)C(F)(F)F ZINC000826341044 608042318 /nfs/dbraw/zinc/04/23/18/608042318.db2.gz UPIWKYPTHHECFV-AWEZNQCLSA-N -1 1 384.318 1.602 20 0 GDADMM CC(=O)N(CCc1ccccc1)CC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823968277 608059812 /nfs/dbraw/zinc/05/98/12/608059812.db2.gz YVXQHCRNGKULRV-UHFFFAOYSA-N -1 1 380.408 1.396 20 0 GDADMM CC(=O)N(CCc1ccccc1)CC(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823968277 608059813 /nfs/dbraw/zinc/05/98/13/608059813.db2.gz YVXQHCRNGKULRV-UHFFFAOYSA-N -1 1 380.408 1.396 20 0 GDADMM COc1ccc([C@](C)(O)[C@@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000826188055 608087771 /nfs/dbraw/zinc/08/77/71/608087771.db2.gz MHVLNWOLJAUWSN-PXNSSMCTSA-N -1 1 394.435 1.783 20 0 GDADMM COc1ccc([C@](C)(O)[C@@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000826188055 608087772 /nfs/dbraw/zinc/08/77/72/608087772.db2.gz MHVLNWOLJAUWSN-PXNSSMCTSA-N -1 1 394.435 1.783 20 0 GDADMM CCc1nnc([C@@H](C)NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)[nH]1 ZINC000825739776 608108386 /nfs/dbraw/zinc/10/83/86/608108386.db2.gz JJUBNFITTWWSRE-SNVBAGLBSA-N -1 1 385.432 1.075 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCC[C@H]1CCOC1 ZINC000826328100 608133236 /nfs/dbraw/zinc/13/32/36/608133236.db2.gz GHEBZTSTETXNEX-ZDUSSCGKSA-N -1 1 384.444 1.002 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCC[C@H]1CCOC1 ZINC000826328100 608133237 /nfs/dbraw/zinc/13/32/37/608133237.db2.gz GHEBZTSTETXNEX-ZDUSSCGKSA-N -1 1 384.444 1.002 20 0 GDADMM O=C(N[C@H](CO)c1ccc(C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826426461 608167818 /nfs/dbraw/zinc/16/78/18/608167818.db2.gz NKEPRLITTXYPEQ-CYBMUJFWSA-N -1 1 378.314 1.744 20 0 GDADMM O=C(N[C@H](CO)c1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826426461 608167820 /nfs/dbraw/zinc/16/78/20/608167820.db2.gz NKEPRLITTXYPEQ-CYBMUJFWSA-N -1 1 378.314 1.744 20 0 GDADMM O=C(NCc1ccco1)[C@H]1CCCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000826443687 608176587 /nfs/dbraw/zinc/17/65/87/608176587.db2.gz ZHVSFKHSPKSJMG-SECBINFHSA-N -1 1 379.833 1.855 20 0 GDADMM O=C(NCc1ccco1)[C@H]1CCCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000826443687 608176589 /nfs/dbraw/zinc/17/65/89/608176589.db2.gz ZHVSFKHSPKSJMG-SECBINFHSA-N -1 1 379.833 1.855 20 0 GDADMM COCCNC(=O)[C@H]1CC[C@H](C)N(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC000826160336 608179447 /nfs/dbraw/zinc/17/94/47/608179447.db2.gz OQRYLGXDYBRGKZ-IUCAKERBSA-N -1 1 385.881 1.344 20 0 GDADMM COCCNC(=O)[C@H]1CC[C@H](C)N(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC000826160336 608179449 /nfs/dbraw/zinc/17/94/49/608179449.db2.gz OQRYLGXDYBRGKZ-IUCAKERBSA-N -1 1 385.881 1.344 20 0 GDADMM O=C(N[C@H](CO)c1cccc(Br)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826426785 608185134 /nfs/dbraw/zinc/18/51/34/608185134.db2.gz WPGNSCBCXLUUID-CYBMUJFWSA-N -1 1 389.213 1.488 20 0 GDADMM O=C(N[C@H](CO)c1cccc(Br)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826426785 608185135 /nfs/dbraw/zinc/18/51/35/608185135.db2.gz WPGNSCBCXLUUID-CYBMUJFWSA-N -1 1 389.213 1.488 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1c1ncnc2ccc(F)cc21 ZINC000825001115 608188629 /nfs/dbraw/zinc/18/86/29/608188629.db2.gz XHAZTAVGCBBJPJ-LLVKDONJSA-N -1 1 392.402 1.454 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1c1ncnc2ccc(F)cc21 ZINC000825001115 608188631 /nfs/dbraw/zinc/18/86/31/608188631.db2.gz XHAZTAVGCBBJPJ-LLVKDONJSA-N -1 1 392.402 1.454 20 0 GDADMM Cn1ncc2c1nc(Oc1ccc(Br)cc1-c1nn[nH]n1)[n-]c2=O ZINC000826366612 608191032 /nfs/dbraw/zinc/19/10/32/608191032.db2.gz QDOYCDIYSWEYAK-UHFFFAOYSA-N -1 1 389.173 1.804 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OC[C@@H]1COC(C)(C)O1 ZINC000826233075 608206741 /nfs/dbraw/zinc/20/67/41/608206741.db2.gz SRZQDAPHXLGLTF-LLVKDONJSA-N -1 1 377.401 1.211 20 0 GDADMM C[C@@H]1CCC[C@@H](OCC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1 ZINC000824925086 608211123 /nfs/dbraw/zinc/21/11/23/608211123.db2.gz ALRWGRVGZPDJJI-VXGBXAGGSA-N -1 1 376.465 1.158 20 0 GDADMM C[C@@H]1CCC[C@@H](OCC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C1 ZINC000824925086 608211124 /nfs/dbraw/zinc/21/11/24/608211124.db2.gz ALRWGRVGZPDJJI-VXGBXAGGSA-N -1 1 376.465 1.158 20 0 GDADMM COc1cc(Cl)ccc1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826180097 608212211 /nfs/dbraw/zinc/21/22/11/608212211.db2.gz RWDNKCWLXXYHGK-UHFFFAOYSA-N -1 1 390.835 1.539 20 0 GDADMM COc1cc(Cl)ccc1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826180097 608212212 /nfs/dbraw/zinc/21/22/12/608212212.db2.gz RWDNKCWLXXYHGK-UHFFFAOYSA-N -1 1 390.835 1.539 20 0 GDADMM CCSc1ccc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cn1 ZINC000825673751 608212702 /nfs/dbraw/zinc/21/27/02/608212702.db2.gz AEYPQPMZEVHEPQ-UHFFFAOYSA-N -1 1 387.473 1.384 20 0 GDADMM CCSc1ccc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cn1 ZINC000825673751 608212703 /nfs/dbraw/zinc/21/27/03/608212703.db2.gz AEYPQPMZEVHEPQ-UHFFFAOYSA-N -1 1 387.473 1.384 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000826494811 608306262 /nfs/dbraw/zinc/30/62/62/608306262.db2.gz QGALWVUEKHPOFO-STQMWFEESA-N -1 1 378.458 1.089 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000826494811 608306264 /nfs/dbraw/zinc/30/62/64/608306264.db2.gz QGALWVUEKHPOFO-STQMWFEESA-N -1 1 378.458 1.089 20 0 GDADMM CC(C)c1ccc(C[C@H](C)Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cc1 ZINC000824457102 608306439 /nfs/dbraw/zinc/30/64/39/608306439.db2.gz FBRXGDXVRYXFRV-LBPRGKRZSA-N -1 1 383.456 1.431 20 0 GDADMM Cc1nn(-c2ccccc2)c(CN2CCNC(=O)[C@H]2C(C)C)c1-c1nn[n-]n1 ZINC000826331926 608312623 /nfs/dbraw/zinc/31/26/23/608312623.db2.gz DHFJQPCPUDKCEM-QGZVFWFLSA-N -1 1 380.456 1.317 20 0 GDADMM CCc1cccnc1C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000825728427 608329936 /nfs/dbraw/zinc/32/99/36/608329936.db2.gz OVSBJCVTCIIOPD-UHFFFAOYSA-N -1 1 394.439 1.652 20 0 GDADMM COc1cccc(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)c1 ZINC000826216127 608341060 /nfs/dbraw/zinc/34/10/60/608341060.db2.gz LOJUYJYEGVMQKS-UHFFFAOYSA-N -1 1 398.427 1.082 20 0 GDADMM COc1cccc(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)c1 ZINC000826216127 608341061 /nfs/dbraw/zinc/34/10/61/608341061.db2.gz LOJUYJYEGVMQKS-UHFFFAOYSA-N -1 1 398.427 1.082 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCC(O)(C(F)(F)F)CC1 ZINC000826495155 608343114 /nfs/dbraw/zinc/34/31/14/608343114.db2.gz FDEMGOFDHXXMGE-UHFFFAOYSA-N -1 1 395.338 1.084 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N2CCCC(C)(C)CC2)n1 ZINC000824802352 608355119 /nfs/dbraw/zinc/35/51/19/608355119.db2.gz MAYQVVDWKIXMPY-UHFFFAOYSA-N -1 1 388.476 1.795 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N2CCCC(C)(C)CC2)n1 ZINC000824802352 608355121 /nfs/dbraw/zinc/35/51/21/608355121.db2.gz MAYQVVDWKIXMPY-UHFFFAOYSA-N -1 1 388.476 1.795 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)Nc2ccc(C(N)=O)nc2)c1-c1nn[n-]n1 ZINC000826231345 608381243 /nfs/dbraw/zinc/38/12/43/608381243.db2.gz HNOOETCENAKCKT-UHFFFAOYSA-N -1 1 396.436 1.607 20 0 GDADMM Fc1c(F)c(F)c(N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)c(F)c1F ZINC000826371567 608390814 /nfs/dbraw/zinc/39/08/14/608390814.db2.gz LHWPSMBLBKZQEI-UHFFFAOYSA-N -1 1 398.299 1.679 20 0 GDADMM Fc1c(F)c(F)c(N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)c(F)c1F ZINC000826371567 608390816 /nfs/dbraw/zinc/39/08/16/608390816.db2.gz LHWPSMBLBKZQEI-UHFFFAOYSA-N -1 1 398.299 1.679 20 0 GDADMM Brc1cc(CNc2ccc(-c3nnn[n-]3)nn2)cc2c1OCCO2 ZINC000823826957 608404224 /nfs/dbraw/zinc/40/42/24/608404224.db2.gz RHXZHHIVVDHSPN-UHFFFAOYSA-N -1 1 390.201 1.803 20 0 GDADMM Brc1cc(CNc2ccc(-c3nn[n-]n3)nn2)cc2c1OCCO2 ZINC000823826957 608404226 /nfs/dbraw/zinc/40/42/26/608404226.db2.gz RHXZHHIVVDHSPN-UHFFFAOYSA-N -1 1 390.201 1.803 20 0 GDADMM COc1ccccc1CC(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826219774 608408559 /nfs/dbraw/zinc/40/85/59/608408559.db2.gz QEIDLXTXDXSIBT-UHFFFAOYSA-N -1 1 394.439 1.311 20 0 GDADMM COc1ccccc1CC(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826219774 608408560 /nfs/dbraw/zinc/40/85/60/608408560.db2.gz QEIDLXTXDXSIBT-UHFFFAOYSA-N -1 1 394.439 1.311 20 0 GDADMM Cc1ccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1F ZINC000826288257 608408975 /nfs/dbraw/zinc/40/89/75/608408975.db2.gz XWYJPESPTFDTPX-UHFFFAOYSA-N -1 1 387.423 1.394 20 0 GDADMM Cc1ccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1F ZINC000826288257 608408976 /nfs/dbraw/zinc/40/89/76/608408976.db2.gz XWYJPESPTFDTPX-UHFFFAOYSA-N -1 1 387.423 1.394 20 0 GDADMM Brc1ccccc1[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC000823832074 608409180 /nfs/dbraw/zinc/40/91/80/608409180.db2.gz JPZZQGJLIOMVSS-ZDUSSCGKSA-N -1 1 388.229 1.997 20 0 GDADMM Brc1ccccc1[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC000823832074 608409181 /nfs/dbraw/zinc/40/91/81/608409181.db2.gz JPZZQGJLIOMVSS-ZDUSSCGKSA-N -1 1 388.229 1.997 20 0 GDADMM O=C(c1c(F)cccc1Cl)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826468699 608412428 /nfs/dbraw/zinc/41/24/28/608412428.db2.gz DGWCUOWGBDHNMR-UHFFFAOYSA-N -1 1 388.794 1.412 20 0 GDADMM O=C(c1c(F)cccc1Cl)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826468699 608412429 /nfs/dbraw/zinc/41/24/29/608412429.db2.gz DGWCUOWGBDHNMR-UHFFFAOYSA-N -1 1 388.794 1.412 20 0 GDADMM CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C(C)(C)C1 ZINC000823981760 608422683 /nfs/dbraw/zinc/42/26/83/608422683.db2.gz QNYSGCWUIUCYJM-UHFFFAOYSA-N -1 1 398.876 1.152 20 0 GDADMM O=C1COc2cccc(OS(=O)(=O)c3ccc(F)cc3-c3nnn[n-]3)c2N1 ZINC000826482248 608425679 /nfs/dbraw/zinc/42/56/79/608425679.db2.gz XMNGYGBOJZTKCB-UHFFFAOYSA-N -1 1 391.340 1.104 20 0 GDADMM O=C1COc2cccc(OS(=O)(=O)c3ccc(F)cc3-c3nn[n-]n3)c2N1 ZINC000826482248 608425680 /nfs/dbraw/zinc/42/56/80/608425680.db2.gz XMNGYGBOJZTKCB-UHFFFAOYSA-N -1 1 391.340 1.104 20 0 GDADMM CN1CCO[C@H]([C@H](Nc2ccc(-c3nn[n-]n3)nn2)c2ccc(Cl)cc2)C1 ZINC000826044711 608440487 /nfs/dbraw/zinc/44/04/87/608440487.db2.gz JOBMMMWOJZNOJM-GOEBONIOSA-N -1 1 386.847 1.794 20 0 GDADMM Cc1ccc(-c2nn[n-]n2)nc1N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000826280536 608543074 /nfs/dbraw/zinc/54/30/74/608543074.db2.gz FWGRHWIMBBAMQI-GASCZTMLSA-N -1 1 398.515 1.197 20 0 GDADMM COc1cccc(C(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)s3)CC2)c1 ZINC000826213573 608546284 /nfs/dbraw/zinc/54/62/84/608546284.db2.gz CAMRAJGQFRLKFF-UHFFFAOYSA-N -1 1 384.465 1.895 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccc(-n2cccc2)nc1 ZINC000825934745 608555111 /nfs/dbraw/zinc/55/51/11/608555111.db2.gz RJYMLAVJJVDVIH-UHFFFAOYSA-N -1 1 392.427 1.063 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ccc(-n2cccc2)nc1 ZINC000825934745 608555112 /nfs/dbraw/zinc/55/51/12/608555112.db2.gz RJYMLAVJJVDVIH-UHFFFAOYSA-N -1 1 392.427 1.063 20 0 GDADMM Cc1ccc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c(Cl)n1 ZINC000826281400 608557151 /nfs/dbraw/zinc/55/71/51/608557151.db2.gz PVLKHIROIGARDI-UHFFFAOYSA-N -1 1 375.824 1.234 20 0 GDADMM Cc1ccc(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c(Cl)n1 ZINC000826281400 608557153 /nfs/dbraw/zinc/55/71/53/608557153.db2.gz PVLKHIROIGARDI-UHFFFAOYSA-N -1 1 375.824 1.234 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@@H](c1ccccc1)C1CC1 ZINC000825923118 608560514 /nfs/dbraw/zinc/56/05/14/608560514.db2.gz CMRWNQXMNDPFDP-HNNXBMFYSA-N -1 1 380.456 1.757 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@@H](c1ccccc1)C1CC1 ZINC000825923118 608560516 /nfs/dbraw/zinc/56/05/16/608560516.db2.gz CMRWNQXMNDPFDP-HNNXBMFYSA-N -1 1 380.456 1.757 20 0 GDADMM CN(C)c1ccc(CN2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)cn1 ZINC000825879900 608589576 /nfs/dbraw/zinc/58/95/76/608589576.db2.gz SCHWZMMJBLQWMU-UHFFFAOYSA-N -1 1 395.471 1.515 20 0 GDADMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc(Cl)cc2-c2nn[nH]n2)co1 ZINC000826090596 609153146 /nfs/dbraw/zinc/15/31/46/609153146.db2.gz JNCQZMWKCIKEJE-UHFFFAOYSA-N -1 1 397.800 1.378 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1ccc2ncsc2c1 ZINC000825929844 609153290 /nfs/dbraw/zinc/15/32/90/609153290.db2.gz LZOARAZNTCLESX-UHFFFAOYSA-N -1 1 398.456 1.878 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1ccc2ncsc2c1 ZINC000825929844 609153292 /nfs/dbraw/zinc/15/32/92/609153292.db2.gz LZOARAZNTCLESX-UHFFFAOYSA-N -1 1 398.456 1.878 20 0 GDADMM CC1(C)[C@@H]2CC[C@]13CS(=O)(=O)N(C(=O)c1ccc(-c4nnn[n-]4)nc1)[C@@H]3C2 ZINC000824817272 609156221 /nfs/dbraw/zinc/15/62/21/609156221.db2.gz MOWDESDOWFPQPJ-CJBNDPTMSA-N -1 1 388.453 1.242 20 0 GDADMM CC1(C)[C@@H]2CC[C@]13CS(=O)(=O)N(C(=O)c1ccc(-c4nn[n-]n4)nc1)[C@@H]3C2 ZINC000824817272 609156224 /nfs/dbraw/zinc/15/62/24/609156224.db2.gz MOWDESDOWFPQPJ-CJBNDPTMSA-N -1 1 388.453 1.242 20 0 GDADMM O=S(=O)(N[C@@H]1CCCOc2cc(F)ccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000826488367 609182865 /nfs/dbraw/zinc/18/28/65/609182865.db2.gz ODFWAUVBLLFTRN-CYBMUJFWSA-N -1 1 390.400 1.593 20 0 GDADMM O=S(=O)(N[C@@H]1CCCOc2cc(F)ccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000826488367 609182867 /nfs/dbraw/zinc/18/28/67/609182867.db2.gz ODFWAUVBLLFTRN-CYBMUJFWSA-N -1 1 390.400 1.593 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccccc1Nc1ccc(F)cc1 ZINC000826425693 609265375 /nfs/dbraw/zinc/26/53/75/609265375.db2.gz OYOHOSUCSZZOTA-UHFFFAOYSA-N -1 1 379.359 1.980 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCCCOc1ccccc1 ZINC000825929565 609299174 /nfs/dbraw/zinc/29/91/74/609299174.db2.gz IJSOGUWJTUWTRB-UHFFFAOYSA-N -1 1 399.459 1.215 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCCCOc1ccccc1 ZINC000825929565 609299176 /nfs/dbraw/zinc/29/91/76/609299176.db2.gz IJSOGUWJTUWTRB-UHFFFAOYSA-N -1 1 399.459 1.215 20 0 GDADMM CCCNC(=O)CCC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825326345 609312794 /nfs/dbraw/zinc/31/27/94/609312794.db2.gz BNOXVPFGFSAGGV-UHFFFAOYSA-N -1 1 386.391 1.436 20 0 GDADMM COCC[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccc(C)o1 ZINC000826154086 609334420 /nfs/dbraw/zinc/33/44/20/609334420.db2.gz HTRQFMRLKOXZKH-CYBMUJFWSA-N -1 1 395.416 1.963 20 0 GDADMM CN(Cc1ccon1)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825986188 609363329 /nfs/dbraw/zinc/36/33/29/609363329.db2.gz SHYXAVIZZRSHQZ-UHFFFAOYSA-N -1 1 383.347 1.843 20 0 GDADMM CC1(CNC(=O)C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CC1 ZINC000824822956 609367663 /nfs/dbraw/zinc/36/76/63/609367663.db2.gz HIXBVZLWJIAFNI-UHFFFAOYSA-N -1 1 384.375 1.046 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C(=O)N1C[C@@H]2CCC[C@@H]21 ZINC000826458643 609369984 /nfs/dbraw/zinc/36/99/84/609369984.db2.gz ZEQDQMYBYSCUSP-JQWIXIFHSA-N -1 1 396.386 1.141 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OC[C@H]1CCO[C@H](C)C1 ZINC000826233113 609387978 /nfs/dbraw/zinc/38/79/78/609387978.db2.gz UPELTHYCCXKSMZ-MFKMUULPSA-N -1 1 375.429 1.875 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H](O)[C@@H](O)c1nc2ccccc2s1 ZINC000826450899 609467958 /nfs/dbraw/zinc/46/79/58/609467958.db2.gz IGDUDBMGUBRAOS-ZIAGYGMSSA-N -1 1 398.404 1.215 20 0 GDADMM COc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1C(C)=O ZINC000826211440 609583067 /nfs/dbraw/zinc/58/30/67/609583067.db2.gz DBVABNXXZBTLNW-UHFFFAOYSA-N -1 1 375.366 1.241 20 0 GDADMM COc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1C(C)=O ZINC000826211440 609583068 /nfs/dbraw/zinc/58/30/68/609583068.db2.gz DBVABNXXZBTLNW-UHFFFAOYSA-N -1 1 375.366 1.241 20 0 GDADMM Cc1cc([C@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)c(C)s1 ZINC000531049791 649986614 /nfs/dbraw/zinc/98/66/14/649986614.db2.gz RFRUQOBQEDAVNW-VIFPVBQESA-N -1 1 385.467 1.213 20 0 GDADMM CCS[C@@H](C)c1noc(CN(C)C(=O)c2coc(S(=O)(=O)[N-]C)c2)n1 ZINC000533739976 650212541 /nfs/dbraw/zinc/21/25/41/650212541.db2.gz PCCWVHKVWBDLEO-VIFPVBQESA-N -1 1 388.471 1.657 20 0 GDADMM CNS(=O)(=O)NC1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000535834884 650258386 /nfs/dbraw/zinc/25/83/86/650258386.db2.gz YVVLTIDJAZUETJ-UHFFFAOYSA-N -1 1 381.376 1.069 20 0 GDADMM Cc1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)cc1S(C)(=O)=O ZINC000536197356 650266368 /nfs/dbraw/zinc/26/63/68/650266368.db2.gz IRBQCYCLIMKEHE-UHFFFAOYSA-N -1 1 375.449 1.959 20 0 GDADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC2(C)COC2)c(OC)c1 ZINC000536428075 650271025 /nfs/dbraw/zinc/27/10/25/650271025.db2.gz ZERFFVCQRDESIW-UHFFFAOYSA-N -1 1 392.499 1.162 20 0 GDADMM Cc1ccc(NC(=O)CSc2nc(C)c(C)c(=O)[n-]2)cc1S(N)(=O)=O ZINC000538516453 650313374 /nfs/dbraw/zinc/31/33/74/650313374.db2.gz BCQSEPJZJNACQQ-UHFFFAOYSA-N -1 1 382.467 1.486 20 0 GDADMM 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HFJHJKDFAACQAD-SNVBAGLBSA-N -1 1 388.205 1.736 20 0 GDADMM O=c1ccccn1CCCc1noc(C[N-]S(=O)(=O)c2cccs2)n1 ZINC000547099920 650491916 /nfs/dbraw/zinc/49/19/16/650491916.db2.gz CWYAAACJYIOMRB-UHFFFAOYSA-N -1 1 380.451 1.404 20 0 GDADMM Cc1c(Br)cccc1S(=O)(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000548199577 650534200 /nfs/dbraw/zinc/53/42/00/650534200.db2.gz VQNYCZFLDQFNAB-NSHDSACASA-N -1 1 388.243 1.455 20 0 GDADMM CC[S@](=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)C1 ZINC000549388168 650575958 /nfs/dbraw/zinc/57/59/58/650575958.db2.gz BWTAAXDWZACYSM-BADDSXTQSA-N -1 1 387.449 1.797 20 0 GDADMM CC(C)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)C(=O)N1CCOCC1 ZINC000551516573 650608745 /nfs/dbraw/zinc/60/87/45/650608745.db2.gz OHJYOSZUOAZRJW-AWEZNQCLSA-N -1 1 378.853 1.641 20 0 GDADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)co1 ZINC000553687258 650653800 /nfs/dbraw/zinc/65/38/00/650653800.db2.gz ZLSQHMUTNVSTQP-UHFFFAOYSA-N -1 1 385.785 1.424 20 0 GDADMM 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XELWPSHODRZACY-WPRPVWTQSA-N -1 1 389.275 1.967 20 0 GDADMM CSc1nnc(C[N-]S(=O)(=O)c2cnn3c2OCC(C)(C)C3)s1 ZINC000914416507 660148501 /nfs/dbraw/zinc/14/85/01/660148501.db2.gz RBBAIVAXWAVVMJ-UHFFFAOYSA-N -1 1 375.501 1.354 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](C)C(=O)N(C)C)c1F ZINC000914428804 660150467 /nfs/dbraw/zinc/15/04/67/660150467.db2.gz AFDQVPWTFMRUSV-ZETCQYMHSA-N -1 1 383.239 1.352 20 0 GDADMM O=C([O-])[C@@]1(NC(=O)NCCN2CCN(Cc3ccccc3)CC2)CCSC1 ZINC000908751316 939312307 /nfs/dbraw/zinc/31/23/07/939312307.db2.gz GXMHVAXIIUEWJC-LJQANCHMSA-N -1 1 392.525 1.064 20 0 GDADMM C[C@H]1CC[C@@](NC(=O)NCc2ccc(N3CCN(C)CC3)nc2)(C(=O)[O-])CC1 ZINC000908770938 939318187 /nfs/dbraw/zinc/31/81/87/939318187.db2.gz KJYKTPCNRXEWKB-SGNKCFNYSA-N -1 1 389.500 1.666 20 0 GDADMM C[C@H](NC(=O)N[C@@]1(C(=O)[O-])CCOC1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000929032718 939794932 /nfs/dbraw/zinc/79/49/32/939794932.db2.gz YOYYLIYZGDPOLO-DJJJIMSYSA-N -1 1 394.447 1.181 20 0 GDADMM CCO[C@@H]1C[C@](NC(=O)N[C@H]2CCCN3CCSC[C@@H]23)(C(=O)[O-])C1(C)C ZINC000929066603 939809869 /nfs/dbraw/zinc/80/98/69/939809869.db2.gz YZDFBOUNMWJICW-FLTUCWPJSA-N -1 1 385.530 1.524 20 0 GDADMM O=C([O-])c1ccccc1C1CCN(CC(=O)N2CCC3(CC2)OCCO3)CC1 ZINC001611556660 971104411 /nfs/dbraw/zinc/10/44/11/971104411.db2.gz OGFXUEQAJIKFHH-UHFFFAOYSA-N -1 1 388.464 1.930 20 0 GDADMM COC[C@H]1CCCN(C(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)C1 ZINC000736976955 944924346 /nfs/dbraw/zinc/92/43/46/944924346.db2.gz IJXXUVPICKHZRJ-AWEZNQCLSA-N -1 1 398.471 1.344 20 0 GDADMM COC[C@H]1CCCN(C(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)C1 ZINC000736976955 944924354 /nfs/dbraw/zinc/92/43/54/944924354.db2.gz IJXXUVPICKHZRJ-AWEZNQCLSA-N -1 1 398.471 1.344 20 0 GDADMM C[C@@H](NC(=O)c1ccsn1)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571261510 945427331 /nfs/dbraw/zinc/42/73/31/945427331.db2.gz GNJPOXLDPCBVDN-GHMZBOCLSA-N -1 1 385.457 1.148 20 0 GDADMM C[C@@H](NC(=O)c1ccsn1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571261510 945427336 /nfs/dbraw/zinc/42/73/36/945427336.db2.gz GNJPOXLDPCBVDN-GHMZBOCLSA-N -1 1 385.457 1.148 20 0 GDADMM CN(C[C@H]1CCCCN1C(=O)c1nccs1)c1nccnc1-c1nnn[n-]1 ZINC001571261430 945427760 /nfs/dbraw/zinc/42/77/60/945427760.db2.gz FMGZWBGKLPZNML-LLVKDONJSA-N -1 1 385.457 1.244 20 0 GDADMM CN(C[C@H]1CCCCN1C(=O)c1nccs1)c1nccnc1-c1nn[n-]n1 ZINC001571261430 945427772 /nfs/dbraw/zinc/42/77/72/945427772.db2.gz FMGZWBGKLPZNML-LLVKDONJSA-N -1 1 385.457 1.244 20 0 GDADMM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCCCN1C(=O)c1cscn1 ZINC001571261868 945431758 /nfs/dbraw/zinc/43/17/58/945431758.db2.gz KXPPUEBKTBJXHY-GWCFXTLKSA-N -1 1 385.457 1.609 20 0 GDADMM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCCCN1C(=O)c1cscn1 ZINC001571261868 945431771 /nfs/dbraw/zinc/43/17/71/945431771.db2.gz KXPPUEBKTBJXHY-GWCFXTLKSA-N -1 1 385.457 1.609 20 0 GDADMM CC(C)c1nc(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)cs1 ZINC001571262025 945433226 /nfs/dbraw/zinc/43/32/26/945433226.db2.gz MMTTZYQNPUPUFW-JTQLQIEISA-N -1 1 385.457 1.245 20 0 GDADMM CC(C)c1nc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)cs1 ZINC001571262025 945433233 /nfs/dbraw/zinc/43/32/33/945433233.db2.gz MMTTZYQNPUPUFW-JTQLQIEISA-N -1 1 385.457 1.245 20 0 GDADMM Cc1csc(CCC(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)n1 ZINC001571263115 945449615 /nfs/dbraw/zinc/44/96/15/945449615.db2.gz HSLSHQKFLWTWDY-NSHDSACASA-N -1 1 385.457 1.067 20 0 GDADMM Cc1csc(CCC(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)n1 ZINC001571263115 945449618 /nfs/dbraw/zinc/44/96/18/945449618.db2.gz HSLSHQKFLWTWDY-NSHDSACASA-N -1 1 385.457 1.067 20 0 GDADMM Cc1nsc(C)c1C(=O)N[C@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571263179 945451850 /nfs/dbraw/zinc/45/18/50/945451850.db2.gz JLWIYSBTYIEBIV-MRXNPFEDSA-N -1 1 385.457 1.129 20 0 GDADMM Cc1nsc(C)c1C(=O)N[C@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571263179 945451852 /nfs/dbraw/zinc/45/18/52/945451852.db2.gz JLWIYSBTYIEBIV-MRXNPFEDSA-N -1 1 385.457 1.129 20 0 GDADMM Cc1nsc(N[C@H]2CCN(C(=O)c3ccc(C)nn3)[C@@H]2C)c1-c1nn[n-]n1 ZINC001571263121 945452378 /nfs/dbraw/zinc/45/23/78/945452378.db2.gz HXWBIIWSOKWMAI-MNOVXSKESA-N -1 1 385.457 1.445 20 0 GDADMM Cc1ncc(C(=O)N2CC[C@@H](CN(C)c3ccc(-c4nnn[n-]4)nn3)C2)s1 ZINC001571263257 945454009 /nfs/dbraw/zinc/45/40/09/945454009.db2.gz LDJSXOXBPJFESY-NSHDSACASA-N -1 1 385.457 1.020 20 0 GDADMM Cc1ncc(C(=O)N2CC[C@@H](CN(C)c3ccc(-c4nn[n-]n4)nn3)C2)s1 ZINC001571263257 945454014 /nfs/dbraw/zinc/45/40/14/945454014.db2.gz LDJSXOXBPJFESY-NSHDSACASA-N -1 1 385.457 1.020 20 0 GDADMM Cc1nsc(N2CC[C@@H](NC(=O)c3cnc(C)nc3C)C2)c1-c1nn[n-]n1 ZINC001571263335 945455829 /nfs/dbraw/zinc/45/58/29/945455829.db2.gz NESVJOOVKLNMKU-LLVKDONJSA-N -1 1 385.457 1.047 20 0 GDADMM Cc1nsc(N[C@H]2CC[C@H](NC(=O)c3ncccn3)CC2)c1-c1nn[n-]n1 ZINC001571263375 945457788 /nfs/dbraw/zinc/45/77/88/945457788.db2.gz ONDLIYVFFIASLV-XYPYZODXSA-N -1 1 385.457 1.575 20 0 GDADMM O=C(N[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1)C1(F)CCCC1 ZINC001571264907 945495091 /nfs/dbraw/zinc/49/50/91/945495091.db2.gz ADWAIPYHNRLTTK-MRVPVSSYSA-N -1 1 385.856 1.954 20 0 GDADMM O=C(N[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1)C1(F)CCCC1 ZINC001571264907 945495098 /nfs/dbraw/zinc/49/50/98/945495098.db2.gz ADWAIPYHNRLTTK-MRVPVSSYSA-N -1 1 385.856 1.954 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cncc(Cl)c1 ZINC001571265333 945506230 /nfs/dbraw/zinc/50/62/30/945506230.db2.gz HLTVCESWYRVPSJ-WVSHTKLVSA-N -1 1 385.819 1.326 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cncc(Cl)c1 ZINC001571265333 945506238 /nfs/dbraw/zinc/50/62/38/945506238.db2.gz HLTVCESWYRVPSJ-WVSHTKLVSA-N -1 1 385.819 1.326 20 0 GDADMM C[C@H]1Oc2ccccc2N(CCC(=O)Nc2ncc(-c3nnn[n-]3)s2)C1=O ZINC000820819989 945561631 /nfs/dbraw/zinc/56/16/31/945561631.db2.gz LXJPCDFMHKXYAV-SECBINFHSA-N -1 1 385.409 1.466 20 0 GDADMM C[C@H]1Oc2ccccc2N(CCC(=O)Nc2ncc(-c3nn[n-]n3)s2)C1=O ZINC000820819989 945561635 /nfs/dbraw/zinc/56/16/35/945561635.db2.gz LXJPCDFMHKXYAV-SECBINFHSA-N -1 1 385.409 1.466 20 0 GDADMM O=C(c1cc(F)cc(F)c1)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571267207 945564547 /nfs/dbraw/zinc/56/45/47/945564547.db2.gz MOQIUZSOPRXODJ-CYBMUJFWSA-N -1 1 386.366 1.652 20 0 GDADMM O=C(c1cc(F)cc(F)c1)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571267207 945564550 /nfs/dbraw/zinc/56/45/50/945564550.db2.gz MOQIUZSOPRXODJ-CYBMUJFWSA-N -1 1 386.366 1.652 20 0 GDADMM Cc1cc(F)c(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)cc1F ZINC001571267346 945566452 /nfs/dbraw/zinc/56/64/52/945566452.db2.gz RINCEUHWCJZCGC-JTQLQIEISA-N -1 1 386.366 1.252 20 0 GDADMM O=C(NC1CC2(C1)CC(Nc1cnc(-c3nnn[n-]3)cn1)C2)[C@@H]1CC[C@@H](F)C1 ZINC001571269036 945609346 /nfs/dbraw/zinc/60/93/46/945609346.db2.gz MWHCHLBNRDFFGF-VIWDNIPDSA-N -1 1 386.435 1.634 20 0 GDADMM O=C(NC1CC2(C1)CC(Nc1cnc(-c3nn[n-]n3)cn1)C2)[C@@H]1CC[C@@H](F)C1 ZINC001571269036 945609351 /nfs/dbraw/zinc/60/93/51/945609351.db2.gz MWHCHLBNRDFFGF-VIWDNIPDSA-N -1 1 386.435 1.634 20 0 GDADMM O=C([C@@H]1CC[C@@H](F)C1)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571269175 945613410 /nfs/dbraw/zinc/61/34/10/945613410.db2.gz RCFJCAPFYKWSKF-SYQHCUMBSA-N -1 1 386.435 1.365 20 0 GDADMM O=C([C@@H]1CC[C@@H](F)C1)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571269175 945613416 /nfs/dbraw/zinc/61/34/16/945613416.db2.gz RCFJCAPFYKWSKF-SYQHCUMBSA-N -1 1 386.435 1.365 20 0 GDADMM COc1cccc(CNC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)c1C ZINC001571270053 945631849 /nfs/dbraw/zinc/63/18/49/945631849.db2.gz LOOATTUMQPRSFR-UHFFFAOYSA-N -1 1 386.437 1.936 20 0 GDADMM COc1csc(C(=O)N2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C[C@H]2C)c1 ZINC001571270575 945638964 /nfs/dbraw/zinc/63/89/64/945638964.db2.gz VLAKHACIMTVXSL-ZJUUUORDSA-N -1 1 386.441 1.442 20 0 GDADMM COc1csc(C(=O)N2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C[C@H]2C)c1 ZINC001571270575 945638974 /nfs/dbraw/zinc/63/89/74/945638974.db2.gz VLAKHACIMTVXSL-ZJUUUORDSA-N -1 1 386.441 1.442 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)C3(C)CCOCC3)C2)cc(-c2nnn[n-]2)n1 ZINC001571273238 945683175 /nfs/dbraw/zinc/68/31/75/945683175.db2.gz TXJWATSJVPXEGJ-GFCCVEGCSA-N -1 1 386.460 1.049 20 0 GDADMM CCc1nc(N[C@@H]2CCN(C(=O)C3(C)CCOCC3)C2)cc(-c2nn[n-]n2)n1 ZINC001571273238 945683180 /nfs/dbraw/zinc/68/31/80/945683180.db2.gz TXJWATSJVPXEGJ-GFCCVEGCSA-N -1 1 386.460 1.049 20 0 GDADMM CC(C)[C@@H]1C[C@H](C(=O)N[C@H]2C[C@H](Nc3nccnc3-c3nnn[n-]3)C2)CCO1 ZINC001571276052 945722704 /nfs/dbraw/zinc/72/27/04/945722704.db2.gz GHAIUGJHVOONPE-SYQHCUMBSA-N -1 1 386.460 1.167 20 0 GDADMM CC(C)[C@@H]1C[C@H](C(=O)N[C@H]2C[C@H](Nc3nccnc3-c3nn[n-]n3)C2)CCO1 ZINC001571276052 945722715 /nfs/dbraw/zinc/72/27/15/945722715.db2.gz GHAIUGJHVOONPE-SYQHCUMBSA-N -1 1 386.460 1.167 20 0 GDADMM C[C@H](C(=O)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)C1CCCC1 ZINC001571276128 945724613 /nfs/dbraw/zinc/72/46/13/945724613.db2.gz HUHPFVRFRCJFMH-JSGCOSHPSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H](C(=O)N1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)C1CCCC1 ZINC001571276128 945724622 /nfs/dbraw/zinc/72/46/22/945724622.db2.gz HUHPFVRFRCJFMH-JSGCOSHPSA-N -1 1 386.460 1.122 20 0 GDADMM Cc1nsc(N(C)[C@H]2CCN(C(=O)c3cnn(C)c3C)C2)c1-c1nn[n-]n1 ZINC001571281074 945796549 /nfs/dbraw/zinc/79/65/49/945796549.db2.gz BXSFIOTYGKYDQD-NSHDSACASA-N -1 1 387.473 1.024 20 0 GDADMM Cc1nsc(N2CCC[C@@H](NC(=O)Cc3ccoc3)[C@H]2C)c1-c1nn[n-]n1 ZINC001571282402 945841418 /nfs/dbraw/zinc/84/14/18/945841418.db2.gz XNOHTHFHULWBER-DGCLKSJQSA-N -1 1 387.469 1.941 20 0 GDADMM CCc1nc(C)c(C(=O)N(C)C2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)o1 ZINC001571282481 945845474 /nfs/dbraw/zinc/84/54/74/945845474.db2.gz ZUUNZOOWCHYHEO-UHFFFAOYSA-N -1 1 387.469 1.743 20 0 GDADMM CC(=O)NC(=Cc1ccccc1)C(=O)Nc1n[nH]c(C2CC2)c1-c1nn[n-]n1 ZINC001573453986 945870030 /nfs/dbraw/zinc/87/00/30/945870030.db2.gz SKKQYBDDPBLZAQ-UKTHLTGXSA-N -1 1 378.396 1.583 20 0 GDADMM O=C(Nc1cccc(F)c1)[C@@H]1CSCN1C(=O)c1coc(-c2nnn[n-]2)c1 ZINC001571285469 945917743 /nfs/dbraw/zinc/91/77/43/945917743.db2.gz FNLVCVOQJBKXHK-LBPRGKRZSA-N -1 1 388.384 1.753 20 0 GDADMM O=C(Nc1cccc(F)c1)[C@@H]1CSCN1C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001571285469 945917752 /nfs/dbraw/zinc/91/77/52/945917752.db2.gz FNLVCVOQJBKXHK-LBPRGKRZSA-N -1 1 388.384 1.753 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)c2ccc(F)s2)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571286208 945940131 /nfs/dbraw/zinc/94/01/31/945940131.db2.gz BABNRLOBVNKXDY-VHSXEESVSA-N -1 1 388.432 1.645 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCCN(C(=O)c3ccc(F)s3)C2)n1 ZINC001571286845 945959534 /nfs/dbraw/zinc/95/95/34/945959534.db2.gz SYJIWLJNHLOMHU-JTQLQIEISA-N -1 1 388.432 1.882 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCCN(C(=O)c3ccc(F)s3)C2)n1 ZINC001571286845 945959540 /nfs/dbraw/zinc/95/95/40/945959540.db2.gz SYJIWLJNHLOMHU-JTQLQIEISA-N -1 1 388.432 1.882 20 0 GDADMM CC(C)[C@H](F)C(=O)N1C[C@@H]2CCC[C@]2(CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571288500 945987620 /nfs/dbraw/zinc/98/76/20/945987620.db2.gz PQMHIMIOCYCRFD-QITLCBANSA-N -1 1 388.451 1.691 20 0 GDADMM CC(C)[C@H](F)C(=O)N1C[C@@H]2CCC[C@]2(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571288500 945987628 /nfs/dbraw/zinc/98/76/28/945987628.db2.gz PQMHIMIOCYCRFD-QITLCBANSA-N -1 1 388.451 1.691 20 0 GDADMM CC(C)[C@@H](F)C(=O)N1CCC2(C1)CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001571288538 945988410 /nfs/dbraw/zinc/98/84/10/945988410.db2.gz PZFZZJUCPQLWOO-CYBMUJFWSA-N -1 1 388.451 1.470 20 0 GDADMM CC(C)[C@@H](F)C(=O)N1CCC2(C1)CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001571288538 945988419 /nfs/dbraw/zinc/98/84/19/945988419.db2.gz PZFZZJUCPQLWOO-CYBMUJFWSA-N -1 1 388.451 1.470 20 0 GDADMM O=C(c1ccc2c(c1)CCC=C2)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571288688 945991134 /nfs/dbraw/zinc/99/11/34/945991134.db2.gz RFJFNPXCNWYERQ-INIZCTEOSA-N -1 1 388.435 1.943 20 0 GDADMM O=C(c1ccc2c(c1)CCC=C2)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571288688 945991140 /nfs/dbraw/zinc/99/11/40/945991140.db2.gz RFJFNPXCNWYERQ-INIZCTEOSA-N -1 1 388.435 1.943 20 0 GDADMM CC(C)(F)C(=O)N1CCCC[C@@H]1[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571289198 945998955 /nfs/dbraw/zinc/99/89/55/945998955.db2.gz WZDZLYHRUYOIKQ-ZIAGYGMSSA-N -1 1 388.451 1.755 20 0 GDADMM CC(C)(F)C(=O)N1CCCC[C@@H]1[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571289198 945998961 /nfs/dbraw/zinc/99/89/61/945998961.db2.gz WZDZLYHRUYOIKQ-ZIAGYGMSSA-N -1 1 388.451 1.755 20 0 GDADMM CCCc1nc(C(=O)N[C@H]2CCN(c3snc(C)c3-c3nn[n-]n3)C2)co1 ZINC001571289377 946004159 /nfs/dbraw/zinc/00/41/59/946004159.db2.gz BBTDUYTVEXMMFN-JTQLQIEISA-N -1 1 388.457 1.581 20 0 GDADMM Cc1ncoc1C(=O)N[C@@H]1CCCN(c2snc(C)c2-c2nn[n-]n2)[C@@H]1C ZINC001571290013 946026501 /nfs/dbraw/zinc/02/65/01/946026501.db2.gz SMPHPSWIBUSAHP-GHMZBOCLSA-N -1 1 388.457 1.715 20 0 GDADMM CN(c1nccnc1-c1nnn[n-]1)C1CCN(C(=O)[C@H]2CCC[C@@H](F)C2)CC1 ZINC001571289985 946026809 /nfs/dbraw/zinc/02/68/09/946026809.db2.gz RTSXXNLCWCRJFO-QWHCGFSZSA-N -1 1 388.451 1.612 20 0 GDADMM CN(c1nccnc1-c1nn[n-]n1)C1CCN(C(=O)[C@H]2CCC[C@@H](F)C2)CC1 ZINC001571289985 946026824 /nfs/dbraw/zinc/02/68/24/946026824.db2.gz RTSXXNLCWCRJFO-QWHCGFSZSA-N -1 1 388.451 1.612 20 0 GDADMM COc1ncc(NC(=O)N2CCC(C(=O)OC(C)C)CC2)cc1-c1nn[n-]n1 ZINC001571291590 946077488 /nfs/dbraw/zinc/07/74/88/946077488.db2.gz MFTDWYYJGORSCV-UHFFFAOYSA-N -1 1 389.416 1.466 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCCNc1cccnn1 ZINC000822540701 946118273 /nfs/dbraw/zinc/11/82/73/946118273.db2.gz FNUYKIOOAQKQNP-UHFFFAOYSA-N -1 1 380.368 1.618 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCCNc1cccnn1 ZINC000822540701 946118278 /nfs/dbraw/zinc/11/82/78/946118278.db2.gz FNUYKIOOAQKQNP-UHFFFAOYSA-N -1 1 380.368 1.618 20 0 GDADMM O=C([C@@H]1CC1(F)F)N1CCC2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001571294762 946142506 /nfs/dbraw/zinc/14/25/06/946142506.db2.gz MAKKMCOLMIWFIT-NSHDSACASA-N -1 1 390.398 1.131 20 0 GDADMM O=C([C@@H]1CC1(F)F)N1CCC2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001571294762 946142513 /nfs/dbraw/zinc/14/25/13/946142513.db2.gz MAKKMCOLMIWFIT-NSHDSACASA-N -1 1 390.398 1.131 20 0 GDADMM CN(C(=O)c1coc(C(F)F)c1)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571294951 946151096 /nfs/dbraw/zinc/15/10/96/946151096.db2.gz QRJUYWGUKITOJY-JTQLQIEISA-N -1 1 390.354 1.538 20 0 GDADMM CN(C(=O)c1coc(C(F)F)c1)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571294951 946151098 /nfs/dbraw/zinc/15/10/98/946151098.db2.gz QRJUYWGUKITOJY-JTQLQIEISA-N -1 1 390.354 1.538 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001571298190 946209429 /nfs/dbraw/zinc/20/94/29/946209429.db2.gz BSSYQDHVFYAQRE-UTXMOHQDSA-N -1 1 390.451 1.686 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001571298190 946209438 /nfs/dbraw/zinc/20/94/38/946209438.db2.gz BSSYQDHVFYAQRE-UTXMOHQDSA-N -1 1 390.451 1.686 20 0 GDADMM O=C(N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)C1(c2ccccc2)CC1 ZINC001571298282 946210397 /nfs/dbraw/zinc/21/03/97/946210397.db2.gz MHEBPSGJHUJDAT-OAHLLOKOSA-N -1 1 390.451 1.474 20 0 GDADMM O=C(N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)C1(c2ccccc2)CC1 ZINC001571298282 946210410 /nfs/dbraw/zinc/21/04/10/946210410.db2.gz MHEBPSGJHUJDAT-OAHLLOKOSA-N -1 1 390.451 1.474 20 0 GDADMM Cc1nsc(N2C[C@@H](NC(=O)c3ccns3)CC[C@@H]2C)c1-c1nn[n-]n1 ZINC001571298280 946210439 /nfs/dbraw/zinc/21/04/39/946210439.db2.gz MGYJNMNRPCIMIF-WPRPVWTQSA-N -1 1 390.498 1.875 20 0 GDADMM Cc1cccc(C)c1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571298550 946221789 /nfs/dbraw/zinc/22/17/89/946221789.db2.gz GUTBRUYNSWKGGM-GASCZTMLSA-N -1 1 390.451 1.767 20 0 GDADMM CC[C@@H](SC)C(=O)N1CCCC[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001571298577 946222180 /nfs/dbraw/zinc/22/21/80/946222180.db2.gz BDAOKYKNELPFNQ-QWHCGFSZSA-N -1 1 390.517 1.403 20 0 GDADMM CCc1ccc(C(=O)N2CC[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]32)cc1 ZINC001571299123 946241114 /nfs/dbraw/zinc/24/11/14/946241114.db2.gz NWOXGAPCMJLLQT-JKSUJKDBSA-N -1 1 390.451 1.570 20 0 GDADMM CCc1ccc(C(=O)N2CC[C@H]3CN(c4nccnc4-c4nn[n-]n4)C[C@H]32)cc1 ZINC001571299123 946241125 /nfs/dbraw/zinc/24/11/25/946241125.db2.gz NWOXGAPCMJLLQT-JKSUJKDBSA-N -1 1 390.451 1.570 20 0 GDADMM Cc1cc(C)cc(C(=O)N2C[C@H]3CN(c4ccc(-c5nnn[n-]5)nn4)C[C@H]3C2)c1 ZINC001571299254 946243907 /nfs/dbraw/zinc/24/39/07/946243907.db2.gz PRZJGYSLLUDPDP-IYBDPMFKSA-N -1 1 390.451 1.482 20 0 GDADMM Cc1cc(C)cc(C(=O)N2C[C@H]3CN(c4ccc(-c5nn[n-]n5)nn4)C[C@H]3C2)c1 ZINC001571299254 946243915 /nfs/dbraw/zinc/24/39/15/946243915.db2.gz PRZJGYSLLUDPDP-IYBDPMFKSA-N -1 1 390.451 1.482 20 0 GDADMM C[C@@]1(NC(=O)c2ccc3c(c2)CCC3)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571299974 946265902 /nfs/dbraw/zinc/26/59/02/946265902.db2.gz WYKKWGBWOWJGPR-HXUWFJFHSA-N -1 1 390.451 1.544 20 0 GDADMM C[C@@]1(NC(=O)c2ccc3c(c2)CCC3)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571299974 946265909 /nfs/dbraw/zinc/26/59/09/946265909.db2.gz WYKKWGBWOWJGPR-HXUWFJFHSA-N -1 1 390.451 1.544 20 0 GDADMM O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1csc(-c2nn[n-]n2)c1 ZINC001571299983 946269536 /nfs/dbraw/zinc/26/95/36/946269536.db2.gz XGZBLRSEKSOKFY-UHFFFAOYSA-N -1 1 390.450 1.621 20 0 GDADMM O=C(NC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1csc(Cl)c1 ZINC001571300096 946271634 /nfs/dbraw/zinc/27/16/34/946271634.db2.gz UTLLWCLMZJGGTB-SECBINFHSA-N -1 1 390.860 1.628 20 0 GDADMM O=C(NC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1csc(Cl)c1 ZINC001571300096 946271643 /nfs/dbraw/zinc/27/16/43/946271643.db2.gz UTLLWCLMZJGGTB-SECBINFHSA-N -1 1 390.860 1.628 20 0 GDADMM C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(Cl)s1 ZINC001571300286 946278907 /nfs/dbraw/zinc/27/89/07/946278907.db2.gz YVFWAGMVAQGZKM-IUCAKERBSA-N -1 1 390.860 1.509 20 0 GDADMM Cc1cccnc1C(=O)N[C@@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571300318 946280022 /nfs/dbraw/zinc/28/00/22/946280022.db2.gz ZMGRAWDQPRASAI-SECBINFHSA-N -1 1 390.860 1.689 20 0 GDADMM Cc1cccnc1C(=O)N[C@@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571300318 946280029 /nfs/dbraw/zinc/28/00/29/946280029.db2.gz ZMGRAWDQPRASAI-SECBINFHSA-N -1 1 390.860 1.689 20 0 GDADMM Cc1noc(C(F)F)c1C(=O)N1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571301793 946282982 /nfs/dbraw/zinc/28/29/82/946282982.db2.gz DOEDGZUDDMDJDP-MRVPVSSYSA-N -1 1 391.342 1.217 20 0 GDADMM Cc1noc(C(F)F)c1C(=O)N1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571301793 946282992 /nfs/dbraw/zinc/28/29/92/946282992.db2.gz DOEDGZUDDMDJDP-MRVPVSSYSA-N -1 1 391.342 1.217 20 0 GDADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CC[C@]2(C1)c1ccccc1NC2=O ZINC001571302510 946305051 /nfs/dbraw/zinc/30/50/51/946305051.db2.gz ZRPIOMGBWVVWKQ-IBGZPJMESA-N -1 1 391.391 1.012 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@H]3[C@H]2CCN3c2ccc(-c3nnn[n-]3)nn2)ccn1 ZINC001571302569 946306949 /nfs/dbraw/zinc/30/69/49/946306949.db2.gz BQWAHXUTUFSFLR-JKSUJKDBSA-N -1 1 391.439 1.244 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@H]3[C@H]2CCN3c2ccc(-c3nn[n-]n3)nn2)ccn1 ZINC001571302569 946306957 /nfs/dbraw/zinc/30/69/57/946306957.db2.gz BQWAHXUTUFSFLR-JKSUJKDBSA-N -1 1 391.439 1.244 20 0 GDADMM O=C(c1ccc(C2CC2)cn1)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571302595 946307862 /nfs/dbraw/zinc/30/78/62/946307862.db2.gz CISFOCARLANVHM-UHFFFAOYSA-N -1 1 391.439 1.282 20 0 GDADMM O=C(c1ccc(C2CC2)cn1)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571302595 946307870 /nfs/dbraw/zinc/30/78/70/946307870.db2.gz CISFOCARLANVHM-UHFFFAOYSA-N -1 1 391.439 1.282 20 0 GDADMM O=C(Cc1cccnc1)NC1CC2(C1)CC(Nc1ccc(-c3nnn[n-]3)nn1)C2 ZINC001571303393 946333154 /nfs/dbraw/zinc/33/31/54/946333154.db2.gz PUJBSNPSLLAQGW-UHFFFAOYSA-N -1 1 391.439 1.134 20 0 GDADMM O=C(Cc1cccnc1)NC1CC2(C1)CC(Nc1ccc(-c3nn[n-]n3)nn1)C2 ZINC001571303393 946333156 /nfs/dbraw/zinc/33/31/56/946333156.db2.gz PUJBSNPSLLAQGW-UHFFFAOYSA-N -1 1 391.439 1.134 20 0 GDADMM Cc1ccncc1C(=O)N[C@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571303555 946339939 /nfs/dbraw/zinc/33/99/39/946339939.db2.gz SURHSVZKXFZIEX-HNNXBMFYSA-N -1 1 391.439 1.149 20 0 GDADMM Cc1ccncc1C(=O)N[C@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001571303555 946339952 /nfs/dbraw/zinc/33/99/52/946339952.db2.gz SURHSVZKXFZIEX-HNNXBMFYSA-N -1 1 391.439 1.149 20 0 GDADMM CCc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nnn[n-]3)cn2)n1 ZINC001571304118 946358427 /nfs/dbraw/zinc/35/84/27/946358427.db2.gz YIJHRNHQNJBSOQ-INWMFGNUSA-N -1 1 391.439 1.154 20 0 GDADMM CCc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nn[n-]n3)cn2)n1 ZINC001571304118 946358435 /nfs/dbraw/zinc/35/84/35/946358435.db2.gz YIJHRNHQNJBSOQ-INWMFGNUSA-N -1 1 391.439 1.154 20 0 GDADMM C[C@@H]1C[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)CN1C(=O)c1ncccn1 ZINC001571306168 946389908 /nfs/dbraw/zinc/38/99/08/946389908.db2.gz QFJMKODJYLQWFQ-SFYZADRCSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1C[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)CN1C(=O)c1ncccn1 ZINC001571306168 946389921 /nfs/dbraw/zinc/38/99/21/946389921.db2.gz QFJMKODJYLQWFQ-SFYZADRCSA-N -1 1 391.848 1.482 20 0 GDADMM Cc1nsc(NC[C@@H]2CCCN2C(=O)CC2CCOCC2)c1-c1nn[n-]n1 ZINC001571306358 946396196 /nfs/dbraw/zinc/39/61/96/946396196.db2.gz UCDMZWCKZKXBKU-ZDUSSCGKSA-N -1 1 391.501 1.851 20 0 GDADMM O=C(NC[C@@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1)c1ccsn1 ZINC001571306511 946401736 /nfs/dbraw/zinc/40/17/36/946401736.db2.gz VYYPQFKAHWVQOU-SNVBAGLBSA-N -1 1 391.482 1.016 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCC(CNC(=O)[C@H]3CCC3(F)F)CC2)n1 ZINC001571309363 946442476 /nfs/dbraw/zinc/44/24/76/946442476.db2.gz YHWWMUSDWNBUIM-GFCCVEGCSA-N -1 1 392.414 1.343 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCC(CNC(=O)[C@H]3CCC3(F)F)CC2)n1 ZINC001571309363 946442486 /nfs/dbraw/zinc/44/24/86/946442486.db2.gz YHWWMUSDWNBUIM-GFCCVEGCSA-N -1 1 392.414 1.343 20 0 GDADMM C[C@]1(NC(=O)[C@H]2CCCC(F)(F)C2)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571309193 946443301 /nfs/dbraw/zinc/44/33/01/946443301.db2.gz XJOGAADQORXXST-ZBEGNZNMSA-N -1 1 392.414 1.567 20 0 GDADMM C[C@]1(NC(=O)[C@H]2CCCC(F)(F)C2)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571309193 946443308 /nfs/dbraw/zinc/44/33/08/946443308.db2.gz XJOGAADQORXXST-ZBEGNZNMSA-N -1 1 392.414 1.567 20 0 GDADMM O=C(NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCCCC1(F)F ZINC001571309517 946446825 /nfs/dbraw/zinc/44/68/25/946446825.db2.gz CIKJBPDUNVBLKE-NEPJUHHUSA-N -1 1 392.414 1.567 20 0 GDADMM O=C(NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)[C@H]1CCCCC1(F)F ZINC001571309520 946447034 /nfs/dbraw/zinc/44/70/34/946447034.db2.gz CIKJBPDUNVBLKE-VXGBXAGGSA-N -1 1 392.414 1.567 20 0 GDADMM O=C(NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)C1CCC(F)(F)CC1 ZINC001571309924 946457519 /nfs/dbraw/zinc/45/75/19/946457519.db2.gz PQKUDWBIHMHAJD-UHFFFAOYSA-N -1 1 392.414 1.567 20 0 GDADMM O=C(NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)C1CCC(F)(F)CC1 ZINC001571309924 946457523 /nfs/dbraw/zinc/45/75/23/946457523.db2.gz PQKUDWBIHMHAJD-UHFFFAOYSA-N -1 1 392.414 1.567 20 0 GDADMM O=C(CC1CC(F)(F)C1)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571310051 946461800 /nfs/dbraw/zinc/46/18/00/946461800.db2.gz SZFPZUWQPPYFPJ-LBPRGKRZSA-N -1 1 392.414 1.567 20 0 GDADMM O=C(CC1CC(F)(F)C1)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571310051 946461806 /nfs/dbraw/zinc/46/18/06/946461806.db2.gz SZFPZUWQPPYFPJ-LBPRGKRZSA-N -1 1 392.414 1.567 20 0 GDADMM CC(C)(C(=O)NC1CC(CNc2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1 ZINC001571310603 946477806 /nfs/dbraw/zinc/47/78/06/946477806.db2.gz KKSAYVLHCPCZNK-UHFFFAOYSA-N -1 1 392.467 1.941 20 0 GDADMM CC(C)(C(=O)NC1CC(CNc2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1 ZINC001571310603 946477815 /nfs/dbraw/zinc/47/78/15/946477815.db2.gz KKSAYVLHCPCZNK-UHFFFAOYSA-N -1 1 392.467 1.941 20 0 GDADMM CCc1cccc(CC(=O)N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571313002 946508563 /nfs/dbraw/zinc/50/85/63/946508563.db2.gz HOMAFHTVWKDLNZ-INIZCTEOSA-N -1 1 392.467 1.865 20 0 GDADMM CCc1cccc(CC(=O)N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571313002 946508571 /nfs/dbraw/zinc/50/85/71/946508571.db2.gz HOMAFHTVWKDLNZ-INIZCTEOSA-N -1 1 392.467 1.865 20 0 GDADMM O=C(c1ccccc1O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001571313059 946510683 /nfs/dbraw/zinc/51/06/83/946510683.db2.gz MOSYGZSKXLDXJR-OLZOCXBDSA-N -1 1 392.423 1.246 20 0 GDADMM CCc1cccc(CC(=O)N(C)[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571313456 946522321 /nfs/dbraw/zinc/52/23/21/946522321.db2.gz OOZAYLIKKPSMMH-MRXNPFEDSA-N -1 1 392.467 1.499 20 0 GDADMM CCc1cccc(CC(=O)N(C)[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571313456 946522325 /nfs/dbraw/zinc/52/23/25/946522325.db2.gz OOZAYLIKKPSMMH-MRXNPFEDSA-N -1 1 392.467 1.499 20 0 GDADMM Cc1ccc(C(C)(C)C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)cc1 ZINC001571314720 946542181 /nfs/dbraw/zinc/54/21/81/946542181.db2.gz BCPKVVMTGXVERE-HNNXBMFYSA-N -1 1 392.467 1.638 20 0 GDADMM Cc1ccc(C(C)(C)C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)cc1 ZINC001571314720 946542190 /nfs/dbraw/zinc/54/21/90/946542190.db2.gz BCPKVVMTGXVERE-HNNXBMFYSA-N -1 1 392.467 1.638 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)[C@H](C)C2)cc1 ZINC001571314745 946545128 /nfs/dbraw/zinc/54/51/28/946545128.db2.gz BXACNZDBIXZKKX-ZBFHGGJFSA-N -1 1 392.467 1.857 20 0 GDADMM Cc1ccc(CC(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)[C@H](C)C2)cc1 ZINC001571314745 946545136 /nfs/dbraw/zinc/54/51/36/946545136.db2.gz BXACNZDBIXZKKX-ZBFHGGJFSA-N -1 1 392.467 1.857 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H](C)[C@@H]2CCN(C(=O)Cc3ccccc3)C2)n1 ZINC001571316233 946568171 /nfs/dbraw/zinc/56/81/71/946568171.db2.gz WZLCFQFMVRAUTI-GOEBONIOSA-N -1 1 392.467 1.857 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H](C)[C@@H]2CCN(C(=O)Cc3ccccc3)C2)n1 ZINC001571316233 946568176 /nfs/dbraw/zinc/56/81/76/946568176.db2.gz WZLCFQFMVRAUTI-GOEBONIOSA-N -1 1 392.467 1.857 20 0 GDADMM Cc1ccccc1CCC(=O)N1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C[C@@H]1C ZINC001571316420 946577446 /nfs/dbraw/zinc/57/74/46/946577446.db2.gz CEIRMILJHQCUIF-GOEBONIOSA-N -1 1 392.467 1.999 20 0 GDADMM Cc1ccccc1CCC(=O)N1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C[C@@H]1C ZINC001571316420 946577452 /nfs/dbraw/zinc/57/74/52/946577452.db2.gz CEIRMILJHQCUIF-GOEBONIOSA-N -1 1 392.467 1.999 20 0 GDADMM Cc1ccccc1[C@H](C)C(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571316491 946579827 /nfs/dbraw/zinc/57/98/27/946579827.db2.gz DLHBKVATBPEZMZ-LSDHHAIUSA-N -1 1 392.467 1.806 20 0 GDADMM O=C(C1=CCCC1)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1nccnc1-c1nnn[n-]1 ZINC001571316591 946581946 /nfs/dbraw/zinc/58/19/46/946581946.db2.gz HJCOBLJEAVOMIO-JJXSEGSLSA-N -1 1 392.467 1.440 20 0 GDADMM O=C(C1=CCCC1)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1nccnc1-c1nn[n-]n1 ZINC001571316591 946581951 /nfs/dbraw/zinc/58/19/51/946581951.db2.gz HJCOBLJEAVOMIO-JJXSEGSLSA-N -1 1 392.467 1.440 20 0 GDADMM O=C(NC[C@@H]1CCCCCN1c1cncc(-c2nnn[n-]2)n1)C1C=CC=CC=C1 ZINC001571316732 946587064 /nfs/dbraw/zinc/58/70/64/946587064.db2.gz KYZJVKVVXLUBND-INIZCTEOSA-N -1 1 392.467 1.820 20 0 GDADMM O=C(NC[C@@H]1CCCCCN1c1cncc(-c2nn[n-]n2)n1)C1C=CC=CC=C1 ZINC001571316732 946587075 /nfs/dbraw/zinc/58/70/75/946587075.db2.gz KYZJVKVVXLUBND-INIZCTEOSA-N -1 1 392.467 1.820 20 0 GDADMM O=C(Cc1ccc[nH]1)N1CC[C@@H](CNc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571317270 946604290 /nfs/dbraw/zinc/60/42/90/946604290.db2.gz AFOFIUMOZPFUIB-VIFPVBQESA-N -1 1 392.876 1.808 20 0 GDADMM O=C(Cc1ccc[nH]1)N1CC[C@@H](CNc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571317270 946604295 /nfs/dbraw/zinc/60/42/95/946604295.db2.gz AFOFIUMOZPFUIB-VIFPVBQESA-N -1 1 392.876 1.808 20 0 GDADMM Cn1cccc1C(=O)N[C@]1(C)CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571317289 946606144 /nfs/dbraw/zinc/60/61/44/946606144.db2.gz BDJANBBWKZSFSH-OAHLLOKOSA-N -1 1 392.876 1.714 20 0 GDADMM Cn1cccc1C(=O)N[C@]1(C)CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571317289 946606151 /nfs/dbraw/zinc/60/61/51/946606151.db2.gz BDJANBBWKZSFSH-OAHLLOKOSA-N -1 1 392.876 1.714 20 0 GDADMM CC(C)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000824207386 946622671 /nfs/dbraw/zinc/62/26/71/946622671.db2.gz VMFOJAMIQDHHQY-SWLSCSKDSA-N -1 1 397.443 1.189 20 0 GDADMM CC(=O)NCc1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC001573533359 946713525 /nfs/dbraw/zinc/71/35/25/946713525.db2.gz PKFCVRJSSOPXCP-UHFFFAOYSA-N -1 1 392.466 1.043 20 0 GDADMM CC(=O)NCc1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC001573533359 946713533 /nfs/dbraw/zinc/71/35/33/946713533.db2.gz PKFCVRJSSOPXCP-UHFFFAOYSA-N -1 1 392.466 1.043 20 0 GDADMM CC(=O)Nc1ccc(CNS(=O)(=O)Cc2csc(-c3nn[n-]n3)c2)cc1 ZINC001573547715 946838312 /nfs/dbraw/zinc/83/83/12/946838312.db2.gz QSRWKPWVVONJBB-UHFFFAOYSA-N -1 1 392.466 1.506 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccnc(C2CC2)c1 ZINC000824999417 947031855 /nfs/dbraw/zinc/03/18/55/947031855.db2.gz HCYVRNCAMADALY-GFCCVEGCSA-N -1 1 391.439 1.280 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccnc(C2CC2)c1 ZINC000824999417 947031866 /nfs/dbraw/zinc/03/18/66/947031866.db2.gz HCYVRNCAMADALY-GFCCVEGCSA-N -1 1 391.439 1.280 20 0 GDADMM CCC1CCC(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)(C(=O)OC)CC1 ZINC000825191571 947112762 /nfs/dbraw/zinc/11/27/62/947112762.db2.gz CRRQHSGHSYPWJU-UHFFFAOYSA-N -1 1 376.417 1.334 20 0 GDADMM CCC1CCC(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)(C(=O)OC)CC1 ZINC000825191571 947112769 /nfs/dbraw/zinc/11/27/69/947112769.db2.gz CRRQHSGHSYPWJU-UHFFFAOYSA-N -1 1 376.417 1.334 20 0 GDADMM CCNc1ccc(C(=O)OCC)cc1NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825480644 947201144 /nfs/dbraw/zinc/20/11/44/947201144.db2.gz DZBDGNDCDBMIQM-UHFFFAOYSA-N -1 1 399.411 1.953 20 0 GDADMM CCNc1ccc(C(=O)OCC)cc1NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825480644 947201148 /nfs/dbraw/zinc/20/11/48/947201148.db2.gz DZBDGNDCDBMIQM-UHFFFAOYSA-N -1 1 399.411 1.953 20 0 GDADMM CNS(=O)(=O)c1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000326916378 971344830 /nfs/dbraw/zinc/34/48/30/971344830.db2.gz PZUROLRIAWOOML-UHFFFAOYSA-N -1 1 384.435 1.402 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)[C@@H](C)c1ccccc1F ZINC001573586146 947278994 /nfs/dbraw/zinc/27/89/94/947278994.db2.gz KZWBUQFQXWAVFM-NEPJUHHUSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H](C)c1ccccc1F ZINC001573586146 947279007 /nfs/dbraw/zinc/27/90/07/947279007.db2.gz KZWBUQFQXWAVFM-NEPJUHHUSA-N -1 1 384.419 1.858 20 0 GDADMM C=C/C(C)=C\CC(=O)N[C@@H]1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001573316842 947282641 /nfs/dbraw/zinc/28/26/41/947282641.db2.gz IJMYHLWYJYLEQZ-QMPFAZFSSA-N -1 1 382.472 1.961 20 0 GDADMM C=C/C(C)=C\CC(=O)N[C@@H]1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001573316842 947282654 /nfs/dbraw/zinc/28/26/54/947282654.db2.gz IJMYHLWYJYLEQZ-QMPFAZFSSA-N -1 1 382.472 1.961 20 0 GDADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1cnc(-c2nnn[n-]2)cn1)C(C)(F)F ZINC001573592034 947325326 /nfs/dbraw/zinc/32/53/26/947325326.db2.gz ICYFBWVYPWUAAQ-JTQLQIEISA-N -1 1 382.419 1.845 20 0 GDADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1cnc(-c2nn[n-]n2)cn1)C(C)(F)F ZINC001573592034 947325338 /nfs/dbraw/zinc/32/53/38/947325338.db2.gz ICYFBWVYPWUAAQ-JTQLQIEISA-N -1 1 382.419 1.845 20 0 GDADMM CCn1c2ccccc2nc1[C@H](C)NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825782738 947327696 /nfs/dbraw/zinc/32/76/96/947327696.db2.gz NKGOSLDDLKATLY-JTQLQIEISA-N -1 1 380.412 1.953 20 0 GDADMM CCn1c2ccccc2nc1[C@H](C)NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825782738 947327708 /nfs/dbraw/zinc/32/77/08/947327708.db2.gz NKGOSLDDLKATLY-JTQLQIEISA-N -1 1 380.412 1.953 20 0 GDADMM CN(C)S(=O)(=O)c1cccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000825875594 947351292 /nfs/dbraw/zinc/35/12/92/947351292.db2.gz UABLRZCLSLWTPH-UHFFFAOYSA-N -1 1 393.860 1.778 20 0 GDADMM CN(C)S(=O)(=O)c1cccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000825875594 947351301 /nfs/dbraw/zinc/35/13/01/947351301.db2.gz UABLRZCLSLWTPH-UHFFFAOYSA-N -1 1 393.860 1.778 20 0 GDADMM C[C@H](C(=O)N(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)c1ccco1 ZINC001573592983 947360009 /nfs/dbraw/zinc/36/00/09/947360009.db2.gz HESRCICOLQDDJI-AAEUAGOBSA-N -1 1 382.428 1.702 20 0 GDADMM C[C@H](C(=O)N(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)c1ccco1 ZINC001573592983 947360021 /nfs/dbraw/zinc/36/00/21/947360021.db2.gz HESRCICOLQDDJI-AAEUAGOBSA-N -1 1 382.428 1.702 20 0 GDADMM C[C@@H](C(=O)N(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)C(C)(F)F ZINC001573593627 947374802 /nfs/dbraw/zinc/37/48/02/947374802.db2.gz LCFGSNXIDCORER-JOYOIKCWSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@@H](C(=O)N(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)C(C)(F)F ZINC001573593627 947374821 /nfs/dbraw/zinc/37/48/21/947374821.db2.gz LCFGSNXIDCORER-JOYOIKCWSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@H](C(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1)c1ccc(F)c(F)c1 ZINC001573605070 947523409 /nfs/dbraw/zinc/52/34/09/947523409.db2.gz URJXGIHQCKNQCM-JTQLQIEISA-N -1 1 388.382 1.609 20 0 GDADMM C[C@H](C(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1)c1ccc(F)c(F)c1 ZINC001573605070 947523419 /nfs/dbraw/zinc/52/34/19/947523419.db2.gz URJXGIHQCKNQCM-JTQLQIEISA-N -1 1 388.382 1.609 20 0 GDADMM COc1cc(C)c([C@@H](C)NC(=O)Cc2noc(C)c2-c2nnn[n-]2)cc1OC ZINC000826177730 947551399 /nfs/dbraw/zinc/55/13/99/947551399.db2.gz SECCGIHQNJVLEW-SNVBAGLBSA-N -1 1 386.412 1.909 20 0 GDADMM COc1cc(C)c([C@@H](C)NC(=O)Cc2noc(C)c2-c2nn[n-]n2)cc1OC ZINC000826177730 947551407 /nfs/dbraw/zinc/55/14/07/947551407.db2.gz SECCGIHQNJVLEW-SNVBAGLBSA-N -1 1 386.412 1.909 20 0 GDADMM C[C@H](C(=O)N1CCC(C)(Nc2cncc(-c3nnn[n-]3)n2)CC1)n1cccc1 ZINC001573613827 947571113 /nfs/dbraw/zinc/57/11/13/947571113.db2.gz AKZZHQXXPOSPOG-CYBMUJFWSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@H](C(=O)N1CCC(C)(Nc2cncc(-c3nn[n-]n3)n2)CC1)n1cccc1 ZINC001573613827 947571117 /nfs/dbraw/zinc/57/11/17/947571117.db2.gz AKZZHQXXPOSPOG-CYBMUJFWSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)(C)C1)C(C)(F)F ZINC001573613835 947573554 /nfs/dbraw/zinc/57/35/54/947573554.db2.gz JNLXFBYJJJHBDP-VHSXEESVSA-N -1 1 380.403 1.019 20 0 GDADMM C[C@H](C(=O)N1CCC(CCN(C)c2cncc(-c3nnn[n-]3)n2)CC1)C1CC1 ZINC001573614792 947593110 /nfs/dbraw/zinc/59/31/10/947593110.db2.gz HHHRIXWXPHVXLC-ZDUSSCGKSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@H](C(=O)N1CCC(CCN(C)c2cncc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001573614792 947593117 /nfs/dbraw/zinc/59/31/17/947593117.db2.gz HHHRIXWXPHVXLC-ZDUSSCGKSA-N -1 1 384.488 1.768 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@H](CN(C)c3nccnc3-c3nnn[n-]3)C2)cc1 ZINC001573351424 947614865 /nfs/dbraw/zinc/61/48/65/947614865.db2.gz MYOADEZXDYMLFD-OAHLLOKOSA-N -1 1 390.451 1.898 20 0 GDADMM C=Cc1ccc(C(=O)N2CC[C@H](CN(C)c3nccnc3-c3nn[n-]n3)C2)cc1 ZINC001573351424 947614868 /nfs/dbraw/zinc/61/48/68/947614868.db2.gz MYOADEZXDYMLFD-OAHLLOKOSA-N -1 1 390.451 1.898 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573615972 947615595 /nfs/dbraw/zinc/61/55/95/947615595.db2.gz UOOFSIJTUSOEKH-YUELXQCFSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)c1ccsc1 ZINC001573616771 947627510 /nfs/dbraw/zinc/62/75/10/947627510.db2.gz NMEOVHPGSDHRNX-VXGBXAGGSA-N -1 1 384.469 1.782 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)c1ccsc1 ZINC001573616771 947627515 /nfs/dbraw/zinc/62/75/15/947627515.db2.gz NMEOVHPGSDHRNX-VXGBXAGGSA-N -1 1 384.469 1.782 20 0 GDADMM C[C@H](C(=O)N1CCC(CNc2cncc(-c3nnn[n-]3)n2)CC1)n1cccc1 ZINC001573619724 947670092 /nfs/dbraw/zinc/67/00/92/947670092.db2.gz XMZXVVRPHLQFKH-CYBMUJFWSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@H](C(=O)N1CCC(CNc2cncc(-c3nn[n-]n3)n2)CC1)n1cccc1 ZINC001573619724 947670102 /nfs/dbraw/zinc/67/01/02/947670102.db2.gz XMZXVVRPHLQFKH-CYBMUJFWSA-N -1 1 381.444 1.370 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)[C@H](CO)SC)c1-c1nn[n-]n1 ZINC000826231404 947676411 /nfs/dbraw/zinc/67/64/11/947676411.db2.gz JYAVNOFXIFABKH-UFBFGSQYSA-N -1 1 394.526 1.703 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCC[C@@H]1CCO[C@H](C)C1 ZINC000826233132 947682073 /nfs/dbraw/zinc/68/20/73/947682073.db2.gz VFZCOVFCEJCWSW-BXUZGUMPSA-N -1 1 388.472 1.838 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)c1ccco1 ZINC001573627728 947731968 /nfs/dbraw/zinc/73/19/68/947731968.db2.gz BFHAFHFUMIXYMY-CHWSQXEVSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)c1ccco1 ZINC001573627728 947731973 /nfs/dbraw/zinc/73/19/73/947731973.db2.gz BFHAFHFUMIXYMY-CHWSQXEVSA-N -1 1 382.428 1.704 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)C1CCCC1 ZINC001573627756 947733846 /nfs/dbraw/zinc/73/38/46/947733846.db2.gz BMXRZGCPJVUQEF-DZGCQCFKSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)C1CCCC1 ZINC001573627756 947733853 /nfs/dbraw/zinc/73/38/53/947733853.db2.gz BMXRZGCPJVUQEF-DZGCQCFKSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001573627806 947734484 /nfs/dbraw/zinc/73/44/84/947734484.db2.gz CMOGZGAOUFCXRO-KBPBESRZSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001573627806 947734497 /nfs/dbraw/zinc/73/44/97/947734497.db2.gz CMOGZGAOUFCXRO-KBPBESRZSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1)C(F)(F)F ZINC001573628092 947746435 /nfs/dbraw/zinc/74/64/35/947746435.db2.gz IMOWHWOASSUAEL-UWVGGRQHSA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](C(=O)N1CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1)C(F)(F)F ZINC001573628092 947746442 /nfs/dbraw/zinc/74/64/42/947746442.db2.gz IMOWHWOASSUAEL-UWVGGRQHSA-N -1 1 384.366 1.648 20 0 GDADMM C/C(=C/C(=O)NCC[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1)C1CC1 ZINC001573366835 947747842 /nfs/dbraw/zinc/74/78/42/947747842.db2.gz YQOVVKKXGRNPAP-UQTJOTSZSA-N -1 1 382.472 1.654 20 0 GDADMM C/C(=C/C(=O)NCC[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001573366835 947747852 /nfs/dbraw/zinc/74/78/52/947747852.db2.gz YQOVVKKXGRNPAP-UQTJOTSZSA-N -1 1 382.472 1.654 20 0 GDADMM C/C(=C\C(=O)N1CCC[C@@H]2[C@H]1CCN2c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001573367034 947753732 /nfs/dbraw/zinc/75/37/32/947753732.db2.gz ZQQSAHAEYBRZED-KPWZGGAESA-N -1 1 380.456 1.583 20 0 GDADMM C/C(=C\C(=O)N1CCC[C@@H]2[C@H]1CCN2c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001573367034 947753740 /nfs/dbraw/zinc/75/37/40/947753740.db2.gz ZQQSAHAEYBRZED-KPWZGGAESA-N -1 1 380.456 1.583 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@@H](C)[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573367712 947763422 /nfs/dbraw/zinc/76/34/22/947763422.db2.gz GOXRNHHSZJGLMJ-OCCSQVGLSA-N -1 1 386.460 1.313 20 0 GDADMM CC(=O)CCCC(=O)N1CC[C@@H](C)[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573367712 947763430 /nfs/dbraw/zinc/76/34/30/947763430.db2.gz GOXRNHHSZJGLMJ-OCCSQVGLSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1nccnc1-c1nnn[n-]1)C(C)(F)F ZINC001573629182 947772909 /nfs/dbraw/zinc/77/29/09/947772909.db2.gz RATFIOYTIDZNHA-QWRGUYRKSA-N -1 1 380.403 1.375 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1nccnc1-c1nn[n-]n1)C(C)(F)F ZINC001573629182 947772921 /nfs/dbraw/zinc/77/29/21/947772921.db2.gz RATFIOYTIDZNHA-QWRGUYRKSA-N -1 1 380.403 1.375 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)C1CCCC1 ZINC001573629635 947781275 /nfs/dbraw/zinc/78/12/75/947781275.db2.gz OTAAJWXMZPFFTN-KGLIPLIRSA-N -1 1 384.488 1.555 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cnc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001573629750 947783650 /nfs/dbraw/zinc/78/36/50/947783650.db2.gz VAFLQWXKZRKDER-YUELXQCFSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cnc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001573629750 947783659 /nfs/dbraw/zinc/78/36/59/947783659.db2.gz VAFLQWXKZRKDER-YUELXQCFSA-N -1 1 384.488 1.909 20 0 GDADMM CC(=O)CCCC(=O)N[C@@]12CCC[C@@H]1N(c1ccnc(-c3nn[n-]n3)n1)CC2 ZINC001573373566 947795426 /nfs/dbraw/zinc/79/54/26/947795426.db2.gz DPFIPYLZARTWSN-SCLBCKFNSA-N -1 1 384.444 1.034 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001573631507 947801245 /nfs/dbraw/zinc/80/12/45/947801245.db2.gz VPQPHMFUJXGNJE-ZIAGYGMSSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001573631507 947801257 /nfs/dbraw/zinc/80/12/57/947801257.db2.gz VPQPHMFUJXGNJE-ZIAGYGMSSA-N -1 1 381.444 1.147 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001573375626 947823433 /nfs/dbraw/zinc/82/34/33/947823433.db2.gz PPIQIRMNUQEHJR-AWEZNQCLSA-N -1 1 386.460 1.200 20 0 GDADMM CC(=O)CCCC(=O)N[C@H]1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001573375626 947823442 /nfs/dbraw/zinc/82/34/42/947823442.db2.gz PPIQIRMNUQEHJR-AWEZNQCLSA-N -1 1 386.460 1.200 20 0 GDADMM C[C@H](C(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)c1ccsc1 ZINC001573638040 947830682 /nfs/dbraw/zinc/83/06/82/947830682.db2.gz ZKGDGSOVHASNFZ-LBPRGKRZSA-N -1 1 384.469 1.561 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)C1CCC1 ZINC001573638139 947834183 /nfs/dbraw/zinc/83/41/83/947834183.db2.gz FWRUIRVRINXSOR-DUVNUKRYSA-N -1 1 382.472 1.520 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21)C1CCC1 ZINC001573638139 947834190 /nfs/dbraw/zinc/83/41/90/947834190.db2.gz FWRUIRVRINXSOR-DUVNUKRYSA-N -1 1 382.472 1.520 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1)c1cccs1 ZINC001573638395 947837487 /nfs/dbraw/zinc/83/74/87/947837487.db2.gz MKTXPMMYKYJQRF-NWDGAFQWSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1)c1cccs1 ZINC001573638395 947837493 /nfs/dbraw/zinc/83/74/93/947837493.db2.gz MKTXPMMYKYJQRF-NWDGAFQWSA-N -1 1 384.469 1.925 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001573376698 947840930 /nfs/dbraw/zinc/84/09/30/947840930.db2.gz CHHYQTREIHGJCO-AWEZNQCLSA-N -1 1 386.460 1.233 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001573376698 947840933 /nfs/dbraw/zinc/84/09/33/947840933.db2.gz CHHYQTREIHGJCO-AWEZNQCLSA-N -1 1 386.460 1.233 20 0 GDADMM CC(=O)CCCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C ZINC001573381532 947876376 /nfs/dbraw/zinc/87/63/76/947876376.db2.gz XAPZJVLVXBHXJC-CYBMUJFWSA-N -1 1 386.460 1.137 20 0 GDADMM CC(=O)CCCC(=O)NC[C@@H](C)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573381524 947876573 /nfs/dbraw/zinc/87/65/73/947876573.db2.gz WYTHCPVHSKNHSQ-MRVPVSSYSA-N -1 1 385.881 1.900 20 0 GDADMM CC(=O)CCCC(=O)NC[C@@H](C)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573381524 947876583 /nfs/dbraw/zinc/87/65/83/947876583.db2.gz WYTHCPVHSKNHSQ-MRVPVSSYSA-N -1 1 385.881 1.900 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1)C1CCCC1 ZINC001573647112 947883948 /nfs/dbraw/zinc/88/39/48/947883948.db2.gz CHIBVGPKNDBXAS-YUELXQCFSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1)C1CCCC1 ZINC001573647112 947883955 /nfs/dbraw/zinc/88/39/55/947883955.db2.gz CHIBVGPKNDBXAS-YUELXQCFSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1)C(C)(F)F ZINC001573647754 947901275 /nfs/dbraw/zinc/90/12/75/947901275.db2.gz STLIJWGTCODDLX-GMTAPVOTSA-N -1 1 380.403 1.454 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1)C(C)(F)F ZINC001573647754 947901288 /nfs/dbraw/zinc/90/12/88/947901288.db2.gz STLIJWGTCODDLX-GMTAPVOTSA-N -1 1 380.403 1.454 20 0 GDADMM C[C@@H](C(=O)N[C@@](C)(CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)C(F)(F)F ZINC001573652101 947929279 /nfs/dbraw/zinc/92/92/79/947929279.db2.gz AVVYJVXEGZPIMN-RTHLEPHNSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](C(=O)N[C@@](C)(CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)C(F)(F)F ZINC001573652101 947929285 /nfs/dbraw/zinc/92/92/85/947929285.db2.gz AVVYJVXEGZPIMN-RTHLEPHNSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)c1ccsc1 ZINC001573652459 947939860 /nfs/dbraw/zinc/93/98/60/947939860.db2.gz CIDRPUWJPVVHHX-ZWNOBZJWSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)c1ccsc1 ZINC001573652459 947939866 /nfs/dbraw/zinc/93/98/66/947939866.db2.gz CIDRPUWJPVVHHX-ZWNOBZJWSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)N[C@@](C)(CNc1cncc(-c2nnn[n-]2)n1)C1CC1)n1cccc1 ZINC001573652584 947942236 /nfs/dbraw/zinc/94/22/36/947942236.db2.gz DWGVHKKIMMOGNO-SGTLLEGYSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](C(=O)N[C@@](C)(CNc1cncc(-c2nn[n-]n2)n1)C1CC1)n1cccc1 ZINC001573652584 947942242 /nfs/dbraw/zinc/94/22/42/947942242.db2.gz DWGVHKKIMMOGNO-SGTLLEGYSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](C(=O)N[C@@](C)(CNc1cncc(-c2nnn[n-]2)n1)C1CC1)C(F)(F)F ZINC001573652702 947947317 /nfs/dbraw/zinc/94/73/17/947947317.db2.gz GREBZVONKAETQC-RTHLEPHNSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](C(=O)N[C@@](C)(CNc1cncc(-c2nn[n-]n2)n1)C1CC1)C(F)(F)F ZINC001573652702 947947327 /nfs/dbraw/zinc/94/73/27/947947327.db2.gz GREBZVONKAETQC-RTHLEPHNSA-N -1 1 384.366 1.552 20 0 GDADMM Cc1nc(COc2ccc(NC(=O)Cc3noc(C)c3-c3nnn[n-]3)cc2)no1 ZINC000826326332 947951992 /nfs/dbraw/zinc/95/19/92/947951992.db2.gz KXNDIZWTCKVUBO-UHFFFAOYSA-N -1 1 396.367 1.615 20 0 GDADMM Cc1nc(COc2ccc(NC(=O)Cc3noc(C)c3-c3nn[n-]n3)cc2)no1 ZINC000826326332 947951997 /nfs/dbraw/zinc/95/19/97/947951997.db2.gz KXNDIZWTCKVUBO-UHFFFAOYSA-N -1 1 396.367 1.615 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)c1cccs1 ZINC001573654254 947963859 /nfs/dbraw/zinc/96/38/59/947963859.db2.gz QGEBJCXXFQZIBH-CMPLNLGQSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)c1cccs1 ZINC001573654254 947963866 /nfs/dbraw/zinc/96/38/66/947963866.db2.gz QGEBJCXXFQZIBH-CMPLNLGQSA-N -1 1 384.469 1.829 20 0 GDADMM Cc1onc(CC(=O)N(Cc2ccco2)Cc2cccnc2)c1-c1nnn[n-]1 ZINC000826343458 947990924 /nfs/dbraw/zinc/99/09/24/947990924.db2.gz BLJDHRMZBZDMGS-UHFFFAOYSA-N -1 1 379.380 1.923 20 0 GDADMM Cc1onc(CC(=O)N(Cc2ccco2)Cc2cccnc2)c1-c1nn[n-]n1 ZINC000826343458 947990931 /nfs/dbraw/zinc/99/09/31/947990931.db2.gz BLJDHRMZBZDMGS-UHFFFAOYSA-N -1 1 379.380 1.923 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@H]2C[C@H](O)c2cccs2)c1-c1nnn[n-]1 ZINC000826344248 948004401 /nfs/dbraw/zinc/00/44/01/948004401.db2.gz BKZFYEUNCNGIPG-AAEUAGOBSA-N -1 1 388.453 1.882 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@H]2C[C@H](O)c2cccs2)c1-c1nn[n-]n1 ZINC000826344248 948004406 /nfs/dbraw/zinc/00/44/06/948004406.db2.gz BKZFYEUNCNGIPG-AAEUAGOBSA-N -1 1 388.453 1.882 20 0 GDADMM Cc1onc(CC(=O)NC[C@H](C)Oc2ccccc2Cl)c1-c1nnn[n-]1 ZINC000826346492 948039722 /nfs/dbraw/zinc/03/97/22/948039722.db2.gz NVBMJRGHHGNKSM-VIFPVBQESA-N -1 1 376.804 1.943 20 0 GDADMM Cc1onc(CC(=O)NC[C@H](C)Oc2ccccc2Cl)c1-c1nn[n-]n1 ZINC000826346492 948039730 /nfs/dbraw/zinc/03/97/30/948039730.db2.gz NVBMJRGHHGNKSM-VIFPVBQESA-N -1 1 376.804 1.943 20 0 GDADMM Cc1onc(CC(=O)N[C@@H]2CCOC3(CCSCC3)C2)c1-c1nnn[n-]1 ZINC000826346656 948041943 /nfs/dbraw/zinc/04/19/43/948041943.db2.gz SIBYZZZUQMJEGH-LLVKDONJSA-N -1 1 378.458 1.267 20 0 GDADMM Cc1onc(CC(=O)N[C@@H]2CCOC3(CCSCC3)C2)c1-c1nn[n-]n1 ZINC000826346656 948041952 /nfs/dbraw/zinc/04/19/52/948041952.db2.gz SIBYZZZUQMJEGH-LLVKDONJSA-N -1 1 378.458 1.267 20 0 GDADMM Cc1onc(CC(=O)NC2(c3noc(C4CC4)n3)CCCC2)c1-c1nnn[n-]1 ZINC000826346774 948045280 /nfs/dbraw/zinc/04/52/80/948045280.db2.gz VKNHZCBHLVBYRZ-UHFFFAOYSA-N -1 1 384.400 1.552 20 0 GDADMM Cc1onc(CC(=O)NC2(c3noc(C4CC4)n3)CCCC2)c1-c1nn[n-]n1 ZINC000826346774 948045288 /nfs/dbraw/zinc/04/52/88/948045288.db2.gz VKNHZCBHLVBYRZ-UHFFFAOYSA-N -1 1 384.400 1.552 20 0 GDADMM C[C@@H](C(=O)N[C@@H]1CC12CCN(c1ccnc(-c3nn[n-]n3)n1)CC2)C(C)(F)F ZINC001573664071 948045862 /nfs/dbraw/zinc/04/58/62/948045862.db2.gz RTQZCPWKTYUVKJ-WDEREUQCSA-N -1 1 392.414 1.423 20 0 GDADMM Cc1onc(CC(=O)NC[C@H](O)c2ccc(C(C)(C)C)cc2)c1-c1nnn[n-]1 ZINC000826347652 948057491 /nfs/dbraw/zinc/05/74/91/948057491.db2.gz YVNBYXUUVBDYMK-HNNXBMFYSA-N -1 1 384.440 1.853 20 0 GDADMM Cc1onc(CC(=O)NC[C@H](O)c2ccc(C(C)(C)C)cc2)c1-c1nn[n-]n1 ZINC000826347652 948057499 /nfs/dbraw/zinc/05/74/99/948057499.db2.gz YVNBYXUUVBDYMK-HNNXBMFYSA-N -1 1 384.440 1.853 20 0 GDADMM Cc1onc(CC(=O)Nc2nc(CN3CCCCC3)cs2)c1-c1nn[n-]n1 ZINC000826348714 948079654 /nfs/dbraw/zinc/07/96/54/948079654.db2.gz AODSZXUTCSHMLY-UHFFFAOYSA-N -1 1 388.457 1.787 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)CC(C)(C)C1)C1CC1 ZINC001573673337 948113111 /nfs/dbraw/zinc/11/31/11/948113111.db2.gz KJWUDOJDXJBWFR-GXTWGEPZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)CC(C)(C)C1)C1CC1 ZINC001573673337 948113117 /nfs/dbraw/zinc/11/31/17/948113117.db2.gz KJWUDOJDXJBWFR-GXTWGEPZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1)n1cccc1 ZINC001573676219 948125690 /nfs/dbraw/zinc/12/56/90/948125690.db2.gz SPWDJBYSXHEKSU-NXEZZACHSA-N -1 1 392.876 1.734 20 0 GDADMM C[C@H](C(=O)NC[C@@H](CO)Nc1nc(-c2nn[n-]n2)c(Cl)s1)C(C)(C)C ZINC001573678577 948153263 /nfs/dbraw/zinc/15/32/63/948153263.db2.gz FHOACOLXWFDDBT-SFYZADRCSA-N -1 1 387.897 1.548 20 0 GDADMM CC(C(=O)N[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C)=C1CCCC1 ZINC001573679572 948163368 /nfs/dbraw/zinc/16/33/68/948163368.db2.gz KXYMQAXNPBEHLI-HNNXBMFYSA-N -1 1 382.472 1.878 20 0 GDADMM CC(C(=O)N[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C)=C1CCCC1 ZINC001573679572 948163375 /nfs/dbraw/zinc/16/33/75/948163375.db2.gz KXYMQAXNPBEHLI-HNNXBMFYSA-N -1 1 382.472 1.878 20 0 GDADMM CC(=O)N1C[C@H](C)O[C@@]2(CCN(c3nc(Cl)c(-c4nnn[n-]4)s3)C2)C1 ZINC001573427221 948163889 /nfs/dbraw/zinc/16/38/89/948163889.db2.gz UTGVMRVPGLSIKX-RMLUDKJBSA-N -1 1 383.865 1.193 20 0 GDADMM CC(=O)N1C[C@H](C)O[C@@]2(CCN(c3nc(Cl)c(-c4nn[n-]n4)s3)C2)C1 ZINC001573427221 948163891 /nfs/dbraw/zinc/16/38/91/948163891.db2.gz UTGVMRVPGLSIKX-RMLUDKJBSA-N -1 1 383.865 1.193 20 0 GDADMM C[C@H](CNC(=O)[C@@H](C)c1cccc(F)c1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001573680007 948171490 /nfs/dbraw/zinc/17/14/90/948171490.db2.gz NZLYNIOLFQBHCF-NEPJUHHUSA-N -1 1 384.419 1.540 20 0 GDADMM C[C@H](CNC(=O)[C@@H](C)c1cccc(F)c1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001573680007 948171495 /nfs/dbraw/zinc/17/14/95/948171495.db2.gz NZLYNIOLFQBHCF-NEPJUHHUSA-N -1 1 384.419 1.540 20 0 GDADMM C[C@H](C(=O)NC[C@H](Nc1nccnc1-c1nnn[n-]1)C1CC1)c1ccsc1 ZINC001573680449 948180654 /nfs/dbraw/zinc/18/06/54/948180654.db2.gz NUQYEVSGFGWBKM-GWCFXTLKSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NC[C@H](Nc1nccnc1-c1nn[n-]n1)C1CC1)c1ccsc1 ZINC001573680449 948180662 /nfs/dbraw/zinc/18/06/62/948180662.db2.gz NUQYEVSGFGWBKM-GWCFXTLKSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NC[C@@]1(C)CCCN(c2cncc(-c3nnn[n-]3)n2)C1)C1CCC1 ZINC001573689964 948220136 /nfs/dbraw/zinc/22/01/36/948220136.db2.gz BEVWVXBFBWDFIB-ORAYPTAESA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NC[C@@]1(C)CCCN(c2cncc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573689964 948220143 /nfs/dbraw/zinc/22/01/43/948220143.db2.gz BEVWVXBFBWDFIB-ORAYPTAESA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](C(=O)NC[C@@]1(C)CN(c2ccc(-c3nnn[n-]3)nn2)CCO1)C(C)(C)C ZINC001573691512 948243355 /nfs/dbraw/zinc/24/33/55/948243355.db2.gz JMRQWRYOPJWWHQ-XIKOKIGWSA-N -1 1 388.476 1.050 20 0 GDADMM C[C@H](C(=O)NC[C@@]1(C)CN(c2ccc(-c3nn[n-]n3)nn2)CCO1)C(C)(C)C ZINC001573691512 948243361 /nfs/dbraw/zinc/24/33/61/948243361.db2.gz JMRQWRYOPJWWHQ-XIKOKIGWSA-N -1 1 388.476 1.050 20 0 GDADMM O=C(CN1CCOCC2(CC2)C1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000826410875 948246641 /nfs/dbraw/zinc/24/66/41/948246641.db2.gz BABAWDCIRXUXFV-UHFFFAOYSA-N -1 1 394.439 1.103 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCOCC1)C(C)(C)C ZINC001573692337 948260905 /nfs/dbraw/zinc/26/09/05/948260905.db2.gz OJRVAORRDAIUOQ-LBPRGKRZSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCOCC1)C(C)(C)C ZINC001573692337 948260914 /nfs/dbraw/zinc/26/09/14/948260914.db2.gz OJRVAORRDAIUOQ-LBPRGKRZSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@@H](C(=O)NCC1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cccs1 ZINC001573701494 948339351 /nfs/dbraw/zinc/33/93/51/948339351.db2.gz AMJDJZMTMSVCKC-VOMCLLRMSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)NCC1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cccs1 ZINC001573701494 948339355 /nfs/dbraw/zinc/33/93/55/948339355.db2.gz AMJDJZMTMSVCKC-VOMCLLRMSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573703388 948354751 /nfs/dbraw/zinc/35/47/51/948354751.db2.gz JVPGTEKNLGFZJK-DZGCQCFKSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCCCN1c1cncc(-c2nnn[n-]2)n1)C1CCC1 ZINC001573703424 948355968 /nfs/dbraw/zinc/35/59/68/948355968.db2.gz JYUNPCFQKCLZLA-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](C(=O)NC[C@@H]1CCCCCN1c1cncc(-c2nn[n-]n2)n1)C1CCC1 ZINC001573703424 948355976 /nfs/dbraw/zinc/35/59/76/948355976.db2.gz JYUNPCFQKCLZLA-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCCN1c1cncc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001573704000 948361087 /nfs/dbraw/zinc/36/10/87/948361087.db2.gz NWUASGIGELRHKL-NXEZZACHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCCN1c1cncc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573704000 948361094 /nfs/dbraw/zinc/36/10/94/948361094.db2.gz NWUASGIGELRHKL-NXEZZACHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H](C(=O)NCC1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccsc1 ZINC001573704196 948367994 /nfs/dbraw/zinc/36/79/94/948367994.db2.gz QKPRBCXVCPLNMR-XSRFYTQQSA-N -1 1 384.469 1.251 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000826472221 948370392 /nfs/dbraw/zinc/37/03/92/948370392.db2.gz CYYCECSGBYWFBR-NSHDSACASA-N -1 1 392.345 1.954 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000826472221 948370398 /nfs/dbraw/zinc/37/03/98/948370398.db2.gz CYYCECSGBYWFBR-NSHDSACASA-N -1 1 392.345 1.954 20 0 GDADMM C[C@H](C(=O)NCCC1(CNc2cncc(-c3nnn[n-]3)n2)CC1)[C@H]1CCCO1 ZINC001573704970 948387431 /nfs/dbraw/zinc/38/74/31/948387431.db2.gz CFAYHNBOFVENHF-GXTWGEPZSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@H](C(=O)NCCC1(CNc2cncc(-c3nn[n-]n3)n2)CC1)[C@H]1CCCO1 ZINC001573704970 948387438 /nfs/dbraw/zinc/38/74/38/948387438.db2.gz CFAYHNBOFVENHF-GXTWGEPZSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@H](C(=O)NCC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001573714880 948478177 /nfs/dbraw/zinc/47/81/77/948478177.db2.gz KLJFXWVELXYNFP-KBPBESRZSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](C(=O)NCC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001573714880 948478181 /nfs/dbraw/zinc/47/81/81/948478181.db2.gz KLJFXWVELXYNFP-KBPBESRZSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](C(=O)NCC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccco1 ZINC001573715512 948491796 /nfs/dbraw/zinc/49/17/96/948491796.db2.gz XQWHXPFFUUSZND-CHWSQXEVSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@@H](C(=O)NCC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccco1 ZINC001573715512 948491801 /nfs/dbraw/zinc/49/18/01/948491801.db2.gz XQWHXPFFUUSZND-CHWSQXEVSA-N -1 1 382.428 1.386 20 0 GDADMM C[C@H](C(=O)NCc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1)C1CC1 ZINC001573730584 948581985 /nfs/dbraw/zinc/58/19/85/948581985.db2.gz RSFNGHZLHUXKFS-LBPRGKRZSA-N -1 1 378.440 1.931 20 0 GDADMM C[C@H](C(=O)NCc1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cc1)C1CC1 ZINC001573730584 948581988 /nfs/dbraw/zinc/58/19/88/948581988.db2.gz RSFNGHZLHUXKFS-LBPRGKRZSA-N -1 1 378.440 1.931 20 0 GDADMM C[C@H](C(=O)N[C@@H](C)CNc1snc(Cl)c1-c1nnn[n-]1)n1cccc1 ZINC001573732137 948600476 /nfs/dbraw/zinc/60/04/76/948600476.db2.gz LODIZRKYECNGRX-DTWKUNHWSA-N -1 1 380.865 1.956 20 0 GDADMM C[C@H](C(=O)N[C@@H](C)CNc1snc(Cl)c1-c1nn[n-]n1)n1cccc1 ZINC001573732137 948600479 /nfs/dbraw/zinc/60/04/79/948600479.db2.gz LODIZRKYECNGRX-DTWKUNHWSA-N -1 1 380.865 1.956 20 0 GDADMM C[C@@H](C(=O)N[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1)c1ccc(Cl)cc1 ZINC001573732726 948607577 /nfs/dbraw/zinc/60/75/77/948607577.db2.gz WLQOEEIFNAUPMH-WDEREUQCSA-N -1 1 386.847 1.452 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nnn[n-]1)n1cccc1 ZINC001573736265 948614372 /nfs/dbraw/zinc/61/43/72/948614372.db2.gz LWERLYVYTRIYRP-MGPQQGTHSA-N -1 1 381.444 1.559 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nn[n-]n1)n1cccc1 ZINC001573736265 948614377 /nfs/dbraw/zinc/61/43/77/948614377.db2.gz LWERLYVYTRIYRP-MGPQQGTHSA-N -1 1 381.444 1.559 20 0 GDADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1)C1CCCC1 ZINC001573740995 948647294 /nfs/dbraw/zinc/64/72/94/948647294.db2.gz WDJLIRJAFCQUFN-MYPMTAMASA-N -1 1 382.472 1.709 20 0 GDADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1)C1CCCC1 ZINC001573740995 948647300 /nfs/dbraw/zinc/64/73/00/948647300.db2.gz WDJLIRJAFCQUFN-MYPMTAMASA-N -1 1 382.472 1.709 20 0 GDADMM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CC1)C(F)(F)F ZINC001573747478 948691504 /nfs/dbraw/zinc/69/15/04/948691504.db2.gz VGNYTYAQVZBHLM-OPRDCNLKSA-N -1 1 384.366 1.116 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1F ZINC001573749514 948701104 /nfs/dbraw/zinc/70/11/04/948701104.db2.gz ZYGQYATXMBCRNX-UTUOFQBUSA-N -1 1 382.403 1.081 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1)C(F)(F)F ZINC001573751964 948708653 /nfs/dbraw/zinc/70/86/53/948708653.db2.gz ITYJLYIXRFJXMY-IMSYWVGJSA-N -1 1 382.350 1.081 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1)C(F)(F)F ZINC001573751964 948708660 /nfs/dbraw/zinc/70/86/60/948708660.db2.gz ITYJLYIXRFJXMY-IMSYWVGJSA-N -1 1 382.350 1.081 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)C(C)(F)F ZINC001573752580 948713879 /nfs/dbraw/zinc/71/38/79/948713879.db2.gz OPJJNDNSXNVURM-WYFGTUCQSA-N -1 1 378.387 1.174 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001573752580 948713882 /nfs/dbraw/zinc/71/38/82/948713882.db2.gz OPJJNDNSXNVURM-WYFGTUCQSA-N -1 1 378.387 1.174 20 0 GDADMM CC(C)[C@@H](F)C(=O)N1CC[C@]2(C1)CCCN(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001574075883 948750876 /nfs/dbraw/zinc/75/08/76/948750876.db2.gz ZSNDWXMLZLXMQW-CRAIPNDOSA-N -1 1 388.451 1.470 20 0 GDADMM CC(C)[C@@H](F)C(=O)N1CC[C@]2(C1)CCCN(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001574075883 948750887 /nfs/dbraw/zinc/75/08/87/948750887.db2.gz ZSNDWXMLZLXMQW-CRAIPNDOSA-N -1 1 388.451 1.470 20 0 GDADMM C[C@H](C(=O)Nc1ccc(Br)c(-c2nnn[n-]2)n1)c1cnn(C)c1 ZINC001573755124 948753515 /nfs/dbraw/zinc/75/35/15/948753515.db2.gz APSADIBSWGOJMQ-ZETCQYMHSA-N -1 1 377.206 1.500 20 0 GDADMM C[C@H](C(=O)Nc1ccc(Br)c(-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC001573755124 948753526 /nfs/dbraw/zinc/75/35/26/948753526.db2.gz APSADIBSWGOJMQ-ZETCQYMHSA-N -1 1 377.206 1.500 20 0 GDADMM C[C@H](CNC(=O)CCc1cc(F)ccc1F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574914805 948754934 /nfs/dbraw/zinc/75/49/34/948754934.db2.gz NFNZVKDQBVGJSA-SNVBAGLBSA-N -1 1 388.382 1.484 20 0 GDADMM C[C@H](CNC(=O)CCc1cc(F)ccc1F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574914805 948754939 /nfs/dbraw/zinc/75/49/39/948754939.db2.gz NFNZVKDQBVGJSA-SNVBAGLBSA-N -1 1 388.382 1.484 20 0 GDADMM C[C@H]([C@H](C)C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)C(C)(C)C ZINC001573755164 948758107 /nfs/dbraw/zinc/75/81/07/948758107.db2.gz BNXTXTSXZNEPOQ-IPNGBCKKSA-N -1 1 384.488 1.526 20 0 GDADMM C[C@H]([C@H](C)C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)C(C)(C)C ZINC001573755164 948758118 /nfs/dbraw/zinc/75/81/18/948758118.db2.gz BNXTXTSXZNEPOQ-IPNGBCKKSA-N -1 1 384.488 1.526 20 0 GDADMM CC(F)(F)C1(C(=O)NCC[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001575223435 948767375 /nfs/dbraw/zinc/76/73/75/948767375.db2.gz OXOQJAPGIHXGKA-NSHDSACASA-N -1 1 392.414 1.425 20 0 GDADMM CC(F)(F)C1(C(=O)NCC[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001575223435 948767387 /nfs/dbraw/zinc/76/73/87/948767387.db2.gz OXOQJAPGIHXGKA-NSHDSACASA-N -1 1 392.414 1.425 20 0 GDADMM C[C@@H](CNC(=O)CCc1cccc(F)c1F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574915854 948771863 /nfs/dbraw/zinc/77/18/63/948771863.db2.gz YEVDJZGERWPXPK-JTQLQIEISA-N -1 1 388.382 1.484 20 0 GDADMM C[C@@H](CNC(=O)CCc1cccc(F)c1F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574915854 948771877 /nfs/dbraw/zinc/77/18/77/948771877.db2.gz YEVDJZGERWPXPK-JTQLQIEISA-N -1 1 388.382 1.484 20 0 GDADMM CC(F)(F)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001575224159 948777428 /nfs/dbraw/zinc/77/74/28/948777428.db2.gz JRGBWUKXLRVASH-DCAQKATOSA-N -1 1 378.387 1.176 20 0 GDADMM CC(F)(F)C1(C(=O)NCC2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CC1 ZINC001575224329 948781744 /nfs/dbraw/zinc/78/17/44/948781744.db2.gz UAQJYPNGOSJIPX-UHFFFAOYSA-N -1 1 392.414 1.425 20 0 GDADMM CC(F)(F)C1(C(=O)NCC2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CC1 ZINC001575224329 948781760 /nfs/dbraw/zinc/78/17/60/948781760.db2.gz UAQJYPNGOSJIPX-UHFFFAOYSA-N -1 1 392.414 1.425 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001574679611 948788758 /nfs/dbraw/zinc/78/87/58/948788758.db2.gz YODIFHKDVOAMTE-VUYXQBRFSA-N -1 1 390.451 1.549 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001574679611 948788763 /nfs/dbraw/zinc/78/87/63/948788763.db2.gz YODIFHKDVOAMTE-VUYXQBRFSA-N -1 1 390.451 1.549 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001574681305 948813010 /nfs/dbraw/zinc/81/30/10/948813010.db2.gz LCYKOFKEKMVSMU-IINYFYTJSA-N -1 1 382.403 1.442 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001574681305 948813030 /nfs/dbraw/zinc/81/30/30/948813030.db2.gz LCYKOFKEKMVSMU-IINYFYTJSA-N -1 1 382.403 1.442 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@H]2[C@H]1CCN2c1ccnc(-c2nn[n-]n2)n1 ZINC001575227323 948825275 /nfs/dbraw/zinc/82/52/75/948825275.db2.gz SUAXENNUTKJALO-WDEREUQCSA-N -1 1 378.387 1.272 20 0 GDADMM CC(C)[C@@H](F)C(=O)NCCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574081286 948829577 /nfs/dbraw/zinc/82/95/77/948829577.db2.gz RSMXFBFMWXPZNP-CQSZACIVSA-N -1 1 376.440 1.374 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ccc(Cl)s1 ZINC001574683329 948848085 /nfs/dbraw/zinc/84/80/85/948848085.db2.gz XSITVXZJSGPZCT-QMMMGPOBSA-N -1 1 378.849 1.992 20 0 GDADMM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ccc(Cl)s1 ZINC001574683329 948848104 /nfs/dbraw/zinc/84/81/04/948848104.db2.gz XSITVXZJSGPZCT-QMMMGPOBSA-N -1 1 378.849 1.992 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1cccc2c1OCC2 ZINC001574683330 948850780 /nfs/dbraw/zinc/85/07/80/948850780.db2.gz XUSAQSAUBYQMCP-LLVKDONJSA-N -1 1 380.412 1.212 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cccc2c1OCC2 ZINC001574683330 948850793 /nfs/dbraw/zinc/85/07/93/948850793.db2.gz XUSAQSAUBYQMCP-LLVKDONJSA-N -1 1 380.412 1.212 20 0 GDADMM CC(C)c1n[nH]c(C(=O)NCc2ccnc(-c3nnn[n-]3)c2)c1Br ZINC001574424503 948853989 /nfs/dbraw/zinc/85/39/89/948853989.db2.gz OBQZFWVHZUJXFK-UHFFFAOYSA-N -1 1 391.233 1.801 20 0 GDADMM CC(C)c1n[nH]c(C(=O)NCc2ccnc(-c3nn[n-]n3)c2)c1Br ZINC001574424503 948854002 /nfs/dbraw/zinc/85/40/02/948854002.db2.gz OBQZFWVHZUJXFK-UHFFFAOYSA-N -1 1 391.233 1.801 20 0 GDADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)c1cn(C)cn1 ZINC001574684192 948857999 /nfs/dbraw/zinc/85/79/99/948857999.db2.gz CALHAKQWTPWPGH-ZETCQYMHSA-N -1 1 381.853 1.331 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001573762686 948861072 /nfs/dbraw/zinc/86/10/72/948861072.db2.gz YGROURPZKLVJDP-CQSZACIVSA-N -1 1 392.467 1.895 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001573762686 948861090 /nfs/dbraw/zinc/86/10/90/948861090.db2.gz YGROURPZKLVJDP-CQSZACIVSA-N -1 1 392.467 1.895 20 0 GDADMM C[C@@H](CCNc1nc(-c2nn[n-]n2)c(Cl)s1)NC(=O)[C@H]1CC1(F)F ZINC001574684549 948871274 /nfs/dbraw/zinc/87/12/74/948871274.db2.gz ICEQYJOAZUIZRS-NTSWFWBYSA-N -1 1 377.808 1.939 20 0 GDADMM CC(F)(F)CCC(=O)N1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C(C)(C)C1 ZINC001575234338 948897321 /nfs/dbraw/zinc/89/73/21/948897321.db2.gz BBZUZYBHHWSINC-LLVKDONJSA-N -1 1 380.403 1.741 20 0 GDADMM CC(F)(F)CCC(=O)N1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC001575234338 948897338 /nfs/dbraw/zinc/89/73/38/948897338.db2.gz BBZUZYBHHWSINC-LLVKDONJSA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)c1ncc(C(=O)NCC[C@H](C)Nc2cncc(-c3nnn[n-]3)n2)s1 ZINC001574427235 948902864 /nfs/dbraw/zinc/90/28/64/948902864.db2.gz BSIWQGVNDPNGNB-JTQLQIEISA-N -1 1 387.473 1.857 20 0 GDADMM CC(C)c1ncc(C(=O)NCC[C@H](C)Nc2cncc(-c3nn[n-]n3)n2)s1 ZINC001574427235 948902872 /nfs/dbraw/zinc/90/28/72/948902872.db2.gz BSIWQGVNDPNGNB-JTQLQIEISA-N -1 1 387.473 1.857 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)[C@@]1(C)CCOC1 ZINC001574685264 948906561 /nfs/dbraw/zinc/90/65/61/948906561.db2.gz ULPVLIGHWJIUIN-CLAHSXSESA-N -1 1 385.881 1.710 20 0 GDADMM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)[C@@]1(C)CCOC1 ZINC001574685264 948906572 /nfs/dbraw/zinc/90/65/72/948906572.db2.gz ULPVLIGHWJIUIN-CLAHSXSESA-N -1 1 385.881 1.710 20 0 GDADMM CC(C)c1ncc(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)s1 ZINC001574427817 948913730 /nfs/dbraw/zinc/91/37/30/948913730.db2.gz QUUJDQFLPUVKTB-SNVBAGLBSA-N -1 1 385.457 1.563 20 0 GDADMM CC(C)c1ncc(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)s1 ZINC001574427817 948913739 /nfs/dbraw/zinc/91/37/39/948913739.db2.gz QUUJDQFLPUVKTB-SNVBAGLBSA-N -1 1 385.457 1.563 20 0 GDADMM CC(F)(F)CC(=O)N[C@@H]1CC[C@@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@H]2C1 ZINC001575235479 948920073 /nfs/dbraw/zinc/92/00/73/948920073.db2.gz VSTLMTXNPRMREX-GRYCIOLGSA-N -1 1 392.414 1.423 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)[C@@H]1CCCCO1 ZINC001573765816 948926830 /nfs/dbraw/zinc/92/68/30/948926830.db2.gz JVYPXYJSZKVERY-JSGCOSHPSA-N -1 1 386.460 1.265 20 0 GDADMM CC(C)(C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)[C@@H]1CCCCO1 ZINC001573765816 948926839 /nfs/dbraw/zinc/92/68/39/948926839.db2.gz JVYPXYJSZKVERY-JSGCOSHPSA-N -1 1 386.460 1.265 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)N1CCC(CN(C)c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574088681 948931309 /nfs/dbraw/zinc/93/13/09/948931309.db2.gz CBDVRQHAHBHSSV-HUUCEWRRSA-N -1 1 384.488 1.624 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)N1CCC(CN(C)c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574088681 948931322 /nfs/dbraw/zinc/93/13/22/948931322.db2.gz CBDVRQHAHBHSSV-HUUCEWRRSA-N -1 1 384.488 1.624 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@](C)(CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575236060 948932584 /nfs/dbraw/zinc/93/25/84/948932584.db2.gz UHBZDTXGYUCUJA-OAHLLOKOSA-N -1 1 380.403 1.743 20 0 GDADMM CC(F)(F)CCC(=O)N1CC[C@](C)(CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575236060 948932595 /nfs/dbraw/zinc/93/25/95/948932595.db2.gz UHBZDTXGYUCUJA-OAHLLOKOSA-N -1 1 380.403 1.743 20 0 GDADMM CC(F)(F)CCC(=O)N1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1 ZINC001575236082 948935029 /nfs/dbraw/zinc/93/50/29/948935029.db2.gz VCYJYHWRZQKUSY-NSHDSACASA-N -1 1 380.403 1.741 20 0 GDADMM CC(F)(F)CCC(=O)N1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C1 ZINC001575236082 948935044 /nfs/dbraw/zinc/93/50/44/948935044.db2.gz VCYJYHWRZQKUSY-NSHDSACASA-N -1 1 380.403 1.741 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccnc(-c3nn[n-]n3)n1)C2)C1CC1 ZINC001573771114 948935749 /nfs/dbraw/zinc/93/57/49/948935749.db2.gz CDYDJBPBWOIFQG-UBHSHLNASA-N -1 1 382.472 1.566 20 0 GDADMM CC(F)(F)CCC(=O)NC1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575237815 948948086 /nfs/dbraw/zinc/94/80/86/948948086.db2.gz HVKCTZFNVSZQGP-UHFFFAOYSA-N -1 1 380.403 1.931 20 0 GDADMM CC(F)(F)CCC(=O)NC1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001575237815 948948099 /nfs/dbraw/zinc/94/80/99/948948099.db2.gz HVKCTZFNVSZQGP-UHFFFAOYSA-N -1 1 380.403 1.931 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nnn[n-]3)cn1)C2)C(F)F ZINC001573772036 948949205 /nfs/dbraw/zinc/94/92/05/948949205.db2.gz PARQYUUGUHAGLX-DCAQKATOSA-N -1 1 392.414 1.422 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1cnc(-c3nn[n-]n3)cn1)C2)C(F)F ZINC001573772036 948949215 /nfs/dbraw/zinc/94/92/15/948949215.db2.gz PARQYUUGUHAGLX-DCAQKATOSA-N -1 1 392.414 1.422 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C12CCC2)C(F)F ZINC001573772108 948951513 /nfs/dbraw/zinc/95/15/13/948951513.db2.gz QRWZLVOCWQJNDW-ZJUUUORDSA-N -1 1 392.414 1.787 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C12CCC2)C(F)F ZINC001573772108 948951517 /nfs/dbraw/zinc/95/15/17/948951517.db2.gz QRWZLVOCWQJNDW-ZJUUUORDSA-N -1 1 392.414 1.787 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001575239082 948958211 /nfs/dbraw/zinc/95/82/11/948958211.db2.gz QIXFXVMYUMOYHL-MNOVXSKESA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001575239082 948958219 /nfs/dbraw/zinc/95/82/19/948958219.db2.gz QIXFXVMYUMOYHL-MNOVXSKESA-N -1 1 380.403 1.789 20 0 GDADMM CC(C)c1nnc(N2CCc3[nH]c(=O)c(-c4nn[n-]n4)cc3C2)n1[C@@H]1C[C@H]1C ZINC001574435653 948999281 /nfs/dbraw/zinc/99/92/81/948999281.db2.gz XAILQSHFYKRDQA-QMTHXVAHSA-N -1 1 381.444 1.826 20 0 GDADMM CC(F)(F)CCC(=O)N[C@]12CCC[C@H]1CN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001575243985 949005075 /nfs/dbraw/zinc/00/50/75/949005075.db2.gz TWNCGODNLHFQRB-GTNSWQLSSA-N -1 1 392.414 1.567 20 0 GDADMM CC(F)(F)CCC(=O)N[C@]12CCC[C@H]1CN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001575243985 949005095 /nfs/dbraw/zinc/00/50/95/949005095.db2.gz TWNCGODNLHFQRB-GTNSWQLSSA-N -1 1 392.414 1.567 20 0 GDADMM CC(C)c1nnsc1C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574439517 949008237 /nfs/dbraw/zinc/00/82/37/949008237.db2.gz GFIMDPGBYVQPII-UHFFFAOYSA-N -1 1 386.445 1.006 20 0 GDADMM CC(C)c1nnsc1C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574439517 949008256 /nfs/dbraw/zinc/00/82/56/949008256.db2.gz GFIMDPGBYVQPII-UHFFFAOYSA-N -1 1 386.445 1.006 20 0 GDADMM CC(C)(C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCC1)c1ccccc1 ZINC001573774314 949009368 /nfs/dbraw/zinc/00/93/68/949009368.db2.gz MLALGOFXLJHZEK-UHFFFAOYSA-N -1 1 392.467 1.507 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccccc1 ZINC001573779315 949060134 /nfs/dbraw/zinc/06/01/34/949060134.db2.gz HFQPHJKRAZVVDG-CQSZACIVSA-N -1 1 392.467 1.577 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccccc1 ZINC001573779315 949060159 /nfs/dbraw/zinc/06/01/59/949060159.db2.gz HFQPHJKRAZVVDG-CQSZACIVSA-N -1 1 392.467 1.577 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001574092574 949070310 /nfs/dbraw/zinc/07/03/10/949070310.db2.gz OTYJCCKLEFNZFA-LJISPDSOSA-N -1 1 382.472 1.519 20 0 GDADMM CC(C)[C@@H]1C[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001574092574 949070327 /nfs/dbraw/zinc/07/03/27/949070327.db2.gz OTYJCCKLEFNZFA-LJISPDSOSA-N -1 1 382.472 1.519 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)c1cccnc1 ZINC001574694255 949070448 /nfs/dbraw/zinc/07/04/48/949070448.db2.gz MFJYAWKTDSCLFE-QMMMGPOBSA-N -1 1 378.849 1.992 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)c1cccnc1 ZINC001574694255 949070467 /nfs/dbraw/zinc/07/04/67/949070467.db2.gz MFJYAWKTDSCLFE-QMMMGPOBSA-N -1 1 378.849 1.992 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1)C(F)(F)F ZINC001573779903 949075691 /nfs/dbraw/zinc/07/56/91/949075691.db2.gz PGGGHSCWCZZLMH-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(C(=O)NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1)C(F)(F)F ZINC001573779903 949075710 /nfs/dbraw/zinc/07/57/10/949075710.db2.gz PGGGHSCWCZZLMH-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(C(=O)NCCC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001573781395 949103040 /nfs/dbraw/zinc/10/30/40/949103040.db2.gz FPEZKZPARULYKF-UHFFFAOYSA-N -1 1 384.488 1.816 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@H](C)CCNc2nccnc2-c2nnn[n-]2)n1 ZINC001574695566 949112189 /nfs/dbraw/zinc/11/21/89/949112189.db2.gz ICZUPLUJHLWKQC-GFCCVEGCSA-N -1 1 381.444 1.796 20 0 GDADMM CC(C)c1cccc(C(=O)N[C@H](C)CCNc2nccnc2-c2nn[n-]n2)n1 ZINC001574695566 949112199 /nfs/dbraw/zinc/11/21/99/949112199.db2.gz ICZUPLUJHLWKQC-GFCCVEGCSA-N -1 1 381.444 1.796 20 0 GDADMM CC(C)(C(=O)NCC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C(F)F ZINC001573781721 949112685 /nfs/dbraw/zinc/11/26/85/949112685.db2.gz MKWYRLHQQDIHEM-SNVBAGLBSA-N -1 1 380.403 1.281 20 0 GDADMM CC(C)(C(=O)NCC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C(F)F ZINC001573781721 949112693 /nfs/dbraw/zinc/11/26/93/949112693.db2.gz MKWYRLHQQDIHEM-SNVBAGLBSA-N -1 1 380.403 1.281 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)CCOc1ccccc1 ZINC001574695617 949117183 /nfs/dbraw/zinc/11/71/83/949117183.db2.gz JGJYTLJSHDPKOU-CYBMUJFWSA-N -1 1 382.428 1.433 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)CCOc1ccccc1 ZINC001574695617 949117190 /nfs/dbraw/zinc/11/71/90/949117190.db2.gz JGJYTLJSHDPKOU-CYBMUJFWSA-N -1 1 382.428 1.433 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)CCOc1ccccc1 ZINC001574695618 949117529 /nfs/dbraw/zinc/11/75/29/949117529.db2.gz JGJYTLJSHDPKOU-ZDUSSCGKSA-N -1 1 382.428 1.433 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)CCOc1ccccc1 ZINC001574695618 949117541 /nfs/dbraw/zinc/11/75/41/949117541.db2.gz JGJYTLJSHDPKOU-ZDUSSCGKSA-N -1 1 382.428 1.433 20 0 GDADMM CC(C)c1occc1C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574446051 949118571 /nfs/dbraw/zinc/11/85/71/949118571.db2.gz GYLURDGAQSPISN-LBPRGKRZSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1occc1C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574446051 949118582 /nfs/dbraw/zinc/11/85/82/949118582.db2.gz GYLURDGAQSPISN-LBPRGKRZSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001573782583 949124666 /nfs/dbraw/zinc/12/46/66/949124666.db2.gz DOTMCZGYIQRONF-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM CC(C)(C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001573782583 949124678 /nfs/dbraw/zinc/12/46/78/949124678.db2.gz DOTMCZGYIQRONF-SECBINFHSA-N -1 1 384.366 1.330 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1onc2c1CCCC2 ZINC001574696235 949125842 /nfs/dbraw/zinc/12/58/42/949125842.db2.gz OCZRJFMJQYMXPA-SNVBAGLBSA-N -1 1 383.416 1.144 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1onc2c1CCCC2 ZINC001574696235 949125859 /nfs/dbraw/zinc/12/58/59/949125859.db2.gz OCZRJFMJQYMXPA-SNVBAGLBSA-N -1 1 383.416 1.144 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001574696180 949126144 /nfs/dbraw/zinc/12/61/44/949126144.db2.gz MJCFYOQPVUEZII-FPMFFAJLSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001574696180 949126154 /nfs/dbraw/zinc/12/61/54/949126154.db2.gz MJCFYOQPVUEZII-FPMFFAJLSA-N -1 1 379.428 1.162 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)NCC1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574094204 949131735 /nfs/dbraw/zinc/13/17/35/949131735.db2.gz XWXUVNVGICXJKC-KBPBESRZSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)NCC1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574094204 949131752 /nfs/dbraw/zinc/13/17/52/949131752.db2.gz XWXUVNVGICXJKC-KBPBESRZSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@H](NC(=O)C1(Cc2ccccc2)CC1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575251363 949137518 /nfs/dbraw/zinc/13/75/18/949137518.db2.gz AZEKASDLOGRUDY-KBPBESRZSA-N -1 1 392.467 1.985 20 0 GDADMM C[C@H](NC(=O)C1(Cc2ccccc2)CC1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575251363 949137531 /nfs/dbraw/zinc/13/75/31/949137531.db2.gz AZEKASDLOGRUDY-KBPBESRZSA-N -1 1 392.467 1.985 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1ncsc1C1CC1 ZINC001574696826 949143327 /nfs/dbraw/zinc/14/33/27/949143327.db2.gz VLOSHRZHMZSFMJ-SECBINFHSA-N -1 1 385.457 1.611 20 0 GDADMM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1ncsc1C1CC1 ZINC001574696826 949143332 /nfs/dbraw/zinc/14/33/32/949143332.db2.gz VLOSHRZHMZSFMJ-SECBINFHSA-N -1 1 385.457 1.611 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574446944 949146765 /nfs/dbraw/zinc/14/67/65/949146765.db2.gz BXMUFALSWPNGPD-NSHDSACASA-N -1 1 383.416 1.024 20 0 GDADMM CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1)C(F)F ZINC001573787083 949163110 /nfs/dbraw/zinc/16/31/10/949163110.db2.gz MYSGSXLQLWPBLP-BBBLOLIVSA-N -1 1 378.387 1.174 20 0 GDADMM CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1)C(F)F ZINC001573787083 949163122 /nfs/dbraw/zinc/16/31/22/949163122.db2.gz MYSGSXLQLWPBLP-BBBLOLIVSA-N -1 1 378.387 1.174 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001574447648 949167143 /nfs/dbraw/zinc/16/71/43/949167143.db2.gz VXBZHXWAXOFBFG-NSHDSACASA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001574447648 949167158 /nfs/dbraw/zinc/16/71/58/949167158.db2.gz VXBZHXWAXOFBFG-NSHDSACASA-N -1 1 383.416 1.485 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H](C)c1cccc(F)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574698047 949170404 /nfs/dbraw/zinc/17/04/04/949170404.db2.gz FOEUYBJGMFCMLT-RYUDHWBXSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H](C)c1cccc(F)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574698047 949170419 /nfs/dbraw/zinc/17/04/19/949170419.db2.gz FOEUYBJGMFCMLT-RYUDHWBXSA-N -1 1 384.419 1.858 20 0 GDADMM C[C@H](CNC(=O)COc1ccccc1F)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574934697 949174488 /nfs/dbraw/zinc/17/44/88/949174488.db2.gz OOQPPPTVVZNJSD-NSHDSACASA-N -1 1 386.391 1.039 20 0 GDADMM C[C@H](CNC(=O)COc1ccccc1F)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574934697 949174500 /nfs/dbraw/zinc/17/45/00/949174500.db2.gz OOQPPPTVVZNJSD-NSHDSACASA-N -1 1 386.391 1.039 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1 ZINC001573787311 949175239 /nfs/dbraw/zinc/17/52/39/949175239.db2.gz SMRGSCXOKWVZCN-OKILXGFUSA-N -1 1 378.440 1.694 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1 ZINC001573787311 949175267 /nfs/dbraw/zinc/17/52/67/949175267.db2.gz SMRGSCXOKWVZCN-OKILXGFUSA-N -1 1 378.440 1.694 20 0 GDADMM C[C@H](CNC(=O)COc1cccc(Cl)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001574934845 949180352 /nfs/dbraw/zinc/18/03/52/949180352.db2.gz SKAMAPJVXKSCNW-SNVBAGLBSA-N -1 1 388.819 1.306 20 0 GDADMM C[C@H](CNC(=O)COc1cccc(Cl)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001574934845 949180372 /nfs/dbraw/zinc/18/03/72/949180372.db2.gz SKAMAPJVXKSCNW-SNVBAGLBSA-N -1 1 388.819 1.306 20 0 GDADMM C[C@@H](NC(=O)C1(c2ccccn2)CC1)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575254090 949194234 /nfs/dbraw/zinc/19/42/34/949194234.db2.gz LLGMVFSTYZITAT-VXGBXAGGSA-N -1 1 379.428 1.089 20 0 GDADMM C[C@@H](NC(=O)C1(c2ccccn2)CC1)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575254090 949194248 /nfs/dbraw/zinc/19/42/48/949194248.db2.gz LLGMVFSTYZITAT-VXGBXAGGSA-N -1 1 379.428 1.089 20 0 GDADMM C[C@H](CNC(=O)Cc1cc(F)ccc1F)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574935399 949198816 /nfs/dbraw/zinc/19/88/16/949198816.db2.gz BISRBMFNGUYEKB-SNVBAGLBSA-N -1 1 388.382 1.119 20 0 GDADMM C[C@H](CNC(=O)Cc1cc(F)ccc1F)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574935399 949198834 /nfs/dbraw/zinc/19/88/34/949198834.db2.gz BISRBMFNGUYEKB-SNVBAGLBSA-N -1 1 388.382 1.119 20 0 GDADMM CC(C)c1oncc1C(=O)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574449478 949201611 /nfs/dbraw/zinc/20/16/11/949201611.db2.gz SXMGHIVHOKRVJU-NSHDSACASA-N -1 1 383.416 1.342 20 0 GDADMM CC(C)c1oncc1C(=O)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574449478 949201628 /nfs/dbraw/zinc/20/16/28/949201628.db2.gz SXMGHIVHOKRVJU-NSHDSACASA-N -1 1 383.416 1.342 20 0 GDADMM C[C@@H]1CCC[C@@]1(C)C(=O)N1CCC(N(C)c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576151227 949208246 /nfs/dbraw/zinc/20/82/46/949208246.db2.gz DUKSAXQTOCEGDP-BFUOFWGJSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCC[C@@]1(C)C(=O)N1CCC(N(C)c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576151227 949208269 /nfs/dbraw/zinc/20/82/69/949208269.db2.gz DUKSAXQTOCEGDP-BFUOFWGJSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)c1oncc1C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC001574451110 949217256 /nfs/dbraw/zinc/21/72/56/949217256.db2.gz CDGDZFLAGSPZOR-PWSUYJOCSA-N -1 1 383.416 1.165 20 0 GDADMM CC(C)c1oncc1C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C ZINC001574451110 949217280 /nfs/dbraw/zinc/21/72/80/949217280.db2.gz CDGDZFLAGSPZOR-PWSUYJOCSA-N -1 1 383.416 1.165 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574451194 949219690 /nfs/dbraw/zinc/21/96/90/949219690.db2.gz GQJGOIYSSAHFQH-PHIMTYICSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574451194 949219715 /nfs/dbraw/zinc/21/97/15/949219715.db2.gz GQJGOIYSSAHFQH-PHIMTYICSA-N -1 1 383.416 1.389 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(Cl)cc1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574937225 949221820 /nfs/dbraw/zinc/22/18/20/949221820.db2.gz MVAUCRPNTJXXDT-NSHDSACASA-N -1 1 386.847 1.494 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(Cl)cc1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574937225 949221841 /nfs/dbraw/zinc/22/18/41/949221841.db2.gz MVAUCRPNTJXXDT-NSHDSACASA-N -1 1 386.847 1.494 20 0 GDADMM CC(C)CC(=O)N1CCC([C@@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574103213 949231483 /nfs/dbraw/zinc/23/14/83/949231483.db2.gz NMDDRGDEIVUDLU-HNNXBMFYSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CCC[C@@]1(C)C(=O)NCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576151951 949237301 /nfs/dbraw/zinc/23/73/01/949237301.db2.gz GWPQLRNNFCOTIA-ORAYPTAESA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H]1CCC[C@@]1(C)C(=O)NCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576151951 949237322 /nfs/dbraw/zinc/23/73/22/949237322.db2.gz GWPQLRNNFCOTIA-ORAYPTAESA-N -1 1 384.488 1.816 20 0 GDADMM CC1(c2ccccc2C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)CC2)CC1 ZINC001575855812 949238119 /nfs/dbraw/zinc/23/81/19/949238119.db2.gz AFFOVNHZDIQJPQ-UHFFFAOYSA-N -1 1 390.451 1.671 20 0 GDADMM CC1(c2ccccc2C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)CC2)CC1 ZINC001575855812 949238139 /nfs/dbraw/zinc/23/81/39/949238139.db2.gz AFFOVNHZDIQJPQ-UHFFFAOYSA-N -1 1 390.451 1.671 20 0 GDADMM CC(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1nccnc1-c1nnn[n-]1 ZINC001573792356 949244868 /nfs/dbraw/zinc/24/48/68/949244868.db2.gz OTLVZRTYNDZYIF-DGAVXFQQSA-N -1 1 382.472 1.376 20 0 GDADMM CC(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1nccnc1-c1nn[n-]n1 ZINC001573792356 949244889 /nfs/dbraw/zinc/24/48/89/949244889.db2.gz OTLVZRTYNDZYIF-DGAVXFQQSA-N -1 1 382.472 1.376 20 0 GDADMM CC(C)CC(=O)N1CCCC[C@@H]1[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574105435 949262830 /nfs/dbraw/zinc/26/28/30/949262830.db2.gz BAQJWTCPCRKRHY-HUUCEWRRSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCC[C@@]1(C)C(=O)N1C[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001576152825 949263099 /nfs/dbraw/zinc/26/30/99/949263099.db2.gz JQTPEKZFVJLFTF-VYGYDYRJSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H]1CCC[C@@]1(C)C(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001576152825 949263118 /nfs/dbraw/zinc/26/31/18/949263118.db2.gz JQTPEKZFVJLFTF-VYGYDYRJSA-N -1 1 382.472 1.378 20 0 GDADMM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC001575857660 949272264 /nfs/dbraw/zinc/27/22/64/949272264.db2.gz TVLNEYQYOUFVDV-MCIONIFRSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC001575857660 949272272 /nfs/dbraw/zinc/27/22/72/949272272.db2.gz TVLNEYQYOUFVDV-MCIONIFRSA-N -1 1 382.472 1.886 20 0 GDADMM CC(C)n1cc(C(=O)N(C)C2CC(Nc3cncc(-c4nnn[n-]4)n3)C2)cn1 ZINC001574452980 949275848 /nfs/dbraw/zinc/27/58/48/949275848.db2.gz UHXWKTQDBDMQMP-UHFFFAOYSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1cc(C(=O)N(C)C2CC(Nc3cncc(-c4nn[n-]n4)n3)C2)cn1 ZINC001574452980 949275865 /nfs/dbraw/zinc/27/58/65/949275865.db2.gz UHXWKTQDBDMQMP-UHFFFAOYSA-N -1 1 382.432 1.149 20 0 GDADMM C[C@@H](NC(=O)C1=COCCC1)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575257932 949287882 /nfs/dbraw/zinc/28/78/82/949287882.db2.gz CVNPTCZPVKUORA-OLZOCXBDSA-N -1 1 384.444 1.072 20 0 GDADMM C[C@@H](NC(=O)C1=COCCC1)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575257932 949287905 /nfs/dbraw/zinc/28/79/05/949287905.db2.gz CVNPTCZPVKUORA-OLZOCXBDSA-N -1 1 384.444 1.072 20 0 GDADMM C[C@H](NC(=O)C1CC2(C1)CCOCC2)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575258125 949293868 /nfs/dbraw/zinc/29/38/68/949293868.db2.gz DZXVDGOGXGOQQH-RYUDHWBXSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@H](NC(=O)C1CC2(C1)CCOCC2)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575258125 949293889 /nfs/dbraw/zinc/29/38/89/949293889.db2.gz DZXVDGOGXGOQQH-RYUDHWBXSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cnco1 ZINC001576154183 949320614 /nfs/dbraw/zinc/32/06/14/949320614.db2.gz CIXZUVHLLVBBMA-APPDUMDISA-N -1 1 383.416 1.436 20 0 GDADMM C[C@H]1CCCC[C@]1(CNc1nccnc1-c1nn[n-]n1)NC(=O)c1cnco1 ZINC001576154183 949320636 /nfs/dbraw/zinc/32/06/36/949320636.db2.gz CIXZUVHLLVBBMA-APPDUMDISA-N -1 1 383.416 1.436 20 0 GDADMM CC(C)n1ccc(C(=O)N[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C2CC2)n1 ZINC001574457363 949329012 /nfs/dbraw/zinc/32/90/12/949329012.db2.gz JAFQBPOIVAMXBK-CQSZACIVSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1ccc(C(=O)N[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C2CC2)n1 ZINC001574457363 949329032 /nfs/dbraw/zinc/32/90/32/949329032.db2.gz JAFQBPOIVAMXBK-CQSZACIVSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1ccc(C(=O)N[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C2CC2)n1 ZINC001574457615 949334033 /nfs/dbraw/zinc/33/40/33/949334033.db2.gz LMLCXEFKAOPRAD-CYBMUJFWSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1ccc(C(=O)N[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C2CC2)n1 ZINC001574457615 949334065 /nfs/dbraw/zinc/33/40/65/949334065.db2.gz LMLCXEFKAOPRAD-CYBMUJFWSA-N -1 1 382.432 1.055 20 0 GDADMM C[C@H](NC(=O)C1=CCOCC1)[C@H](C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575260058 949343354 /nfs/dbraw/zinc/34/33/54/949343354.db2.gz TZRIQPMQUDWNQD-YUMQZZPRSA-N -1 1 383.865 1.628 20 0 GDADMM C[C@@H](CNC(=O)Cc1cc[nH]n1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001574942220 949345070 /nfs/dbraw/zinc/34/50/70/949345070.db2.gz LEMBTMBQBKIKRC-ZETCQYMHSA-N -1 1 381.853 1.107 20 0 GDADMM C[C@@H](CNC(=O)Cc1cc[nH]n1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001574942220 949345091 /nfs/dbraw/zinc/34/50/91/949345091.db2.gz LEMBTMBQBKIKRC-ZETCQYMHSA-N -1 1 381.853 1.107 20 0 GDADMM CC(C)(C)C(=O)N1CCCC[C@]2(CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001573797044 949350871 /nfs/dbraw/zinc/35/08/71/949350871.db2.gz YXOGILIVPJZZIL-LJQANCHMSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@H](NC(=O)C1=COCCC1)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575260629 949356756 /nfs/dbraw/zinc/35/67/56/949356756.db2.gz WOLMDHDXBQYGOO-QWHCGFSZSA-N -1 1 384.444 1.072 20 0 GDADMM C[C@H](NC(=O)C1=COCCC1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575260629 949356780 /nfs/dbraw/zinc/35/67/80/949356780.db2.gz WOLMDHDXBQYGOO-QWHCGFSZSA-N -1 1 384.444 1.072 20 0 GDADMM CC(C)(C)C(=O)N[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C[C@H]1O ZINC001573799336 949368591 /nfs/dbraw/zinc/36/85/91/949368591.db2.gz LKLYXLPGAAMAER-JGVFFNPUSA-N -1 1 385.881 1.079 20 0 GDADMM CC(C)(C)C(=O)N[C@H]1CCN(c2snc(Cl)c2-c2nn[n-]n2)C[C@H]1O ZINC001573799336 949368618 /nfs/dbraw/zinc/36/86/18/949368618.db2.gz LKLYXLPGAAMAER-JGVFFNPUSA-N -1 1 385.881 1.079 20 0 GDADMM CC(C)CC(=O)N[C@@H]1[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)[C@@H]2C1(C)C ZINC001574111436 949380780 /nfs/dbraw/zinc/38/07/80/949380780.db2.gz HKINJLGUKHBGNV-JLZZUVOBSA-N -1 1 384.488 1.812 20 0 GDADMM CC(C)CC(=O)N[C@@H]1[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)[C@@H]2C1(C)C ZINC001574111436 949380806 /nfs/dbraw/zinc/38/08/06/949380806.db2.gz HKINJLGUKHBGNV-JLZZUVOBSA-N -1 1 384.488 1.812 20 0 GDADMM CC1=CC[C@@](C)(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001575865832 949382806 /nfs/dbraw/zinc/38/28/06/949382806.db2.gz MZVKAPRJJIKAGU-IFXJQAMLSA-N -1 1 382.472 1.878 20 0 GDADMM CC1=CC[C@@](C)(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001575865832 949382826 /nfs/dbraw/zinc/38/28/26/949382826.db2.gz MZVKAPRJJIKAGU-IFXJQAMLSA-N -1 1 382.472 1.878 20 0 GDADMM CC(C)n1cnc(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)nn3)CCC2)c1 ZINC001574463899 949388571 /nfs/dbraw/zinc/38/85/71/949388571.db2.gz ANNKXASSURGFHJ-UHFFFAOYSA-N -1 1 382.432 1.199 20 0 GDADMM CC(C)n1cnc(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)nn3)CCC2)c1 ZINC001574463899 949388595 /nfs/dbraw/zinc/38/85/95/949388595.db2.gz ANNKXASSURGFHJ-UHFFFAOYSA-N -1 1 382.432 1.199 20 0 GDADMM CC(C)n1cnc(C(=O)N(C)CCCN(C)c2ccc(-c3nnn[n-]3)nn2)c1 ZINC001574464336 949406715 /nfs/dbraw/zinc/40/67/15/949406715.db2.gz LGKVTEWLLSLESC-UHFFFAOYSA-N -1 1 384.448 1.033 20 0 GDADMM CC(C)n1cnc(C(=O)N(C)CCCN(C)c2ccc(-c3nn[n-]n3)nn2)c1 ZINC001574464336 949406734 /nfs/dbraw/zinc/40/67/34/949406734.db2.gz LGKVTEWLLSLESC-UHFFFAOYSA-N -1 1 384.448 1.033 20 0 GDADMM CC1(C(=O)N2CCC([C@H]3CCCN3c3ccc(-c4nnn[n-]4)nn3)CC2)CC1 ZINC001575533328 949415362 /nfs/dbraw/zinc/41/53/62/949415362.db2.gz GWPXLTMBMWSWCY-OAHLLOKOSA-N -1 1 382.472 1.664 20 0 GDADMM CC1(C(=O)N2CCC([C@H]3CCCN3c3ccc(-c4nn[n-]n4)nn3)CC2)CC1 ZINC001575533328 949415378 /nfs/dbraw/zinc/41/53/78/949415378.db2.gz GWPXLTMBMWSWCY-OAHLLOKOSA-N -1 1 382.472 1.664 20 0 GDADMM CC(C)CC(=O)N[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C[C@H]1O ZINC001574116581 949429890 /nfs/dbraw/zinc/42/98/90/949429890.db2.gz ARIOQPKHVYVMPE-RKDXNWHRSA-N -1 1 385.881 1.079 20 0 GDADMM CC(C)(C)C(=O)NC[C@@H]1CN(c2nc(Cl)c(-c3nnn[n-]3)s2)CCO1 ZINC001573803505 949443206 /nfs/dbraw/zinc/44/32/06/949443206.db2.gz QMVAIRBBXJETPJ-MRVPVSSYSA-N -1 1 385.881 1.344 20 0 GDADMM CC(C)(C)C(=O)NC[C@@H]1CN(c2nc(Cl)c(-c3nn[n-]n3)s2)CCO1 ZINC001573803505 949443219 /nfs/dbraw/zinc/44/32/19/949443219.db2.gz QMVAIRBBXJETPJ-MRVPVSSYSA-N -1 1 385.881 1.344 20 0 GDADMM CC(C)n1cccc1C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001574465646 949445081 /nfs/dbraw/zinc/44/50/81/949445081.db2.gz UPFSINSBGDIOOM-CYBMUJFWSA-N -1 1 381.444 1.756 20 0 GDADMM CC(C)n1cccc1C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001574465646 949445098 /nfs/dbraw/zinc/44/50/98/949445098.db2.gz UPFSINSBGDIOOM-CYBMUJFWSA-N -1 1 381.444 1.756 20 0 GDADMM CC1(C(=O)N2CCC([C@H]3CCCN3c3ccnc(-c4nn[n-]n4)n3)CC2)CC1 ZINC001575535618 949455251 /nfs/dbraw/zinc/45/52/51/949455251.db2.gz ZLRCFRZDMHSIMK-CQSZACIVSA-N -1 1 382.472 1.664 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C(C2CC2)C2CC2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575868464 949462672 /nfs/dbraw/zinc/46/26/72/949462672.db2.gz NSIHPUYUQVZUGR-RISCZKNCSA-N -1 1 382.472 1.566 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C(C2CC2)C2CC2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575868464 949462686 /nfs/dbraw/zinc/46/26/86/949462686.db2.gz NSIHPUYUQVZUGR-RISCZKNCSA-N -1 1 382.472 1.566 20 0 GDADMM C[C@H]1CCCC[C@@]1(CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1cc[nH]c1 ZINC001576157073 949474093 /nfs/dbraw/zinc/47/40/93/949474093.db2.gz PEJQCXGCMLVGBK-SGTLLEGYSA-N -1 1 381.444 1.198 20 0 GDADMM C[C@@H]1CCC[C@@H](C(=O)N2C[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]3C2)C1 ZINC001576157235 949479286 /nfs/dbraw/zinc/47/92/86/949479286.db2.gz ZJMAIDQRZUMLND-TUVASFSCSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H]1CCC[C@@H](C(=O)N2C[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]3C2)C1 ZINC001576157235 949479300 /nfs/dbraw/zinc/47/93/00/949479300.db2.gz ZJMAIDQRZUMLND-TUVASFSCSA-N -1 1 382.472 1.378 20 0 GDADMM CC(C)(C)C(=O)NCc1cccc2c1CCN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001573806215 949485578 /nfs/dbraw/zinc/48/55/78/949485578.db2.gz LLAODMUFJDBEMI-UHFFFAOYSA-N -1 1 392.467 1.882 20 0 GDADMM C[C@H]1[C@H](C(=O)NCc2ccnc(-c3nnn[n-]3)c2)CCN1C(=O)OC(C)(C)C ZINC001575870333 949486115 /nfs/dbraw/zinc/48/61/15/949486115.db2.gz UZJLGWNZPJTPAE-WCQYABFASA-N -1 1 387.444 1.523 20 0 GDADMM C[C@H]1[C@H](C(=O)NCc2ccnc(-c3nn[n-]n3)c2)CCN1C(=O)OC(C)(C)C ZINC001575870333 949486124 /nfs/dbraw/zinc/48/61/24/949486124.db2.gz UZJLGWNZPJTPAE-WCQYABFASA-N -1 1 387.444 1.523 20 0 GDADMM C[C@H]1[C@H](CO)CCN1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC001575870648 949496266 /nfs/dbraw/zinc/49/62/66/949496266.db2.gz VWPBXYIJAJGDNY-QWRGUYRKSA-N -1 1 386.391 1.426 20 0 GDADMM C[C@@H]1CCC[C@H]1CC(=O)N1CCC(N(C)c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576158571 949499958 /nfs/dbraw/zinc/49/99/58/949499958.db2.gz UIBFBCOHGWFRNY-KGLIPLIRSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCC[C@H]1CC(=O)N1CCC(N(C)c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576158571 949499977 /nfs/dbraw/zinc/49/99/77/949499977.db2.gz UIBFBCOHGWFRNY-KGLIPLIRSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCC[C@@H]1CC(=O)N1CCC(N(C)c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001576158574 949501946 /nfs/dbraw/zinc/50/19/46/949501946.db2.gz UIBFBCOHGWFRNY-ZIAGYGMSSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCC[C@@H]1CC(=O)N1CCC(N(C)c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576158574 949501957 /nfs/dbraw/zinc/50/19/57/949501957.db2.gz UIBFBCOHGWFRNY-ZIAGYGMSSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cn[nH]c1 ZINC001576158522 949502254 /nfs/dbraw/zinc/50/22/54/949502254.db2.gz TZVGKQSLECNOIX-DIFFPNOSSA-N -1 1 382.432 1.171 20 0 GDADMM C[C@@H]1CCCC[C@@]1(CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1cn[nH]c1 ZINC001576158522 949502276 /nfs/dbraw/zinc/50/22/76/949502276.db2.gz TZVGKQSLECNOIX-DIFFPNOSSA-N -1 1 382.432 1.171 20 0 GDADMM CC1(C(=O)N2CC[C@@H]3[C@@H](CCN3c3nccnc3-c3nnn[n-]3)C2)CC=CC1 ZINC001575537782 949503336 /nfs/dbraw/zinc/50/33/36/949503336.db2.gz AYIVYOWZWQMPSR-UONOGXRCSA-N -1 1 380.456 1.440 20 0 GDADMM CC1(C(=O)N2CC[C@@H]3[C@@H](CCN3c3nccnc3-c3nn[n-]n3)C2)CC=CC1 ZINC001575537782 949503353 /nfs/dbraw/zinc/50/33/53/949503353.db2.gz AYIVYOWZWQMPSR-UONOGXRCSA-N -1 1 380.456 1.440 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCOC1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574709557 949506388 /nfs/dbraw/zinc/50/63/88/949506388.db2.gz ZZADAGDGKVSFJB-DTWKUNHWSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1CCCOC1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574709557 949506398 /nfs/dbraw/zinc/50/63/98/949506398.db2.gz ZZADAGDGKVSFJB-DTWKUNHWSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2(F)CCCCC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575871503 949514178 /nfs/dbraw/zinc/51/41/78/949514178.db2.gz ABVBWVZLLZJCFF-STQMWFEESA-N -1 1 388.451 1.803 20 0 GDADMM C[C@H]1[C@@H](NC(=O)C2(F)CCCCC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575871503 949514198 /nfs/dbraw/zinc/51/41/98/949514198.db2.gz ABVBWVZLLZJCFF-STQMWFEESA-N -1 1 388.451 1.803 20 0 GDADMM CC1(C(=O)N2CCC[C@H](CCNc3ccnc(-c4nn[n-]n4)n3)C2)CCCC1 ZINC001575538698 949527977 /nfs/dbraw/zinc/52/79/77/949527977.db2.gz JAUHBRNVSVBKQY-CQSZACIVSA-N -1 1 384.488 1.700 20 0 GDADMM C[C@@H]1CCCC[C@H]1OCC(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001576163407 949529708 /nfs/dbraw/zinc/52/97/08/949529708.db2.gz AXCAFSINMZBUOT-IUODEOHRSA-N -1 1 390.513 1.824 20 0 GDADMM C[C@H](CNC(=O)Nc1ccnc(-c2nnn[n-]2)c1)CNC(=O)OC(C)(C)C ZINC001574950230 949534689 /nfs/dbraw/zinc/53/46/89/949534689.db2.gz MVLLYZIGOAAAAD-SNVBAGLBSA-N -1 1 376.421 1.544 20 0 GDADMM C[C@H](CNC(=O)Nc1ccnc(-c2nn[n-]n2)c1)CNC(=O)OC(C)(C)C ZINC001574950230 949534706 /nfs/dbraw/zinc/53/47/06/949534706.db2.gz MVLLYZIGOAAAAD-SNVBAGLBSA-N -1 1 376.421 1.544 20 0 GDADMM C[C@@H](CC(=O)N(C)C1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001574472384 949552814 /nfs/dbraw/zinc/55/28/14/949552814.db2.gz UFLBZJSHXMVPSW-HSBZDZAISA-N -1 1 381.444 1.511 20 0 GDADMM C[C@@H](CC(=O)N(C)C1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001574472384 949552835 /nfs/dbraw/zinc/55/28/35/949552835.db2.gz UFLBZJSHXMVPSW-HSBZDZAISA-N -1 1 381.444 1.511 20 0 GDADMM CC1(C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nnn[n-]2)CCCC1 ZINC001575540849 949570750 /nfs/dbraw/zinc/57/07/50/949570750.db2.gz ZNCWGQSAZMUUIL-KGLIPLIRSA-N -1 1 382.472 1.807 20 0 GDADMM CC1(C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nn[n-]n2)CCCC1 ZINC001575540849 949570769 /nfs/dbraw/zinc/57/07/69/949570769.db2.gz ZNCWGQSAZMUUIL-KGLIPLIRSA-N -1 1 382.472 1.807 20 0 GDADMM C[C@@H](NC(=O)CCC1CCC1)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575270749 949601458 /nfs/dbraw/zinc/60/14/58/949601458.db2.gz FXRPKRWANJVAMM-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](NC(=O)CCC1CCC1)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575270749 949601476 /nfs/dbraw/zinc/60/14/76/949601476.db2.gz FXRPKRWANJVAMM-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C(=O)N2CCCC[C@@H]2[C@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575546446 949608107 /nfs/dbraw/zinc/60/81/07/949608107.db2.gz QGHPZNYSTDQYEH-ZIAGYGMSSA-N -1 1 382.472 1.807 20 0 GDADMM C[C@@H](NC(=O)CCCc1ccccc1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575271342 949617804 /nfs/dbraw/zinc/61/78/04/949617804.db2.gz JSAICWLXRPOYTK-UONOGXRCSA-N -1 1 380.456 1.985 20 0 GDADMM C[C@@H](NC(=O)CCCc1ccccc1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575271342 949617819 /nfs/dbraw/zinc/61/78/19/949617819.db2.gz JSAICWLXRPOYTK-UONOGXRCSA-N -1 1 380.456 1.985 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@H](C)c1ccncc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574714105 949622423 /nfs/dbraw/zinc/62/24/23/949622423.db2.gz CDNHROIJJXBYGS-QWHCGFSZSA-N -1 1 381.444 1.504 20 0 GDADMM C[C@H](CN(C)C(=O)C[C@H](C)c1ccncc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574714105 949622436 /nfs/dbraw/zinc/62/24/36/949622436.db2.gz CDNHROIJJXBYGS-QWHCGFSZSA-N -1 1 381.444 1.504 20 0 GDADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)CCCc1ccsc1 ZINC001575271652 949624674 /nfs/dbraw/zinc/62/46/74/949624674.db2.gz LQXPCBYBVZVLKJ-NEPJUHHUSA-N -1 1 386.485 1.468 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccsc1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574957871 949637615 /nfs/dbraw/zinc/63/76/15/949637615.db2.gz BLKGXEPMHABERO-KGYLQXTDSA-N -1 1 384.469 1.463 20 0 GDADMM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccsc1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574957871 949637631 /nfs/dbraw/zinc/63/76/31/949637631.db2.gz BLKGXEPMHABERO-KGYLQXTDSA-N -1 1 384.469 1.463 20 0 GDADMM CC(C)CC(C)(C)C(=O)N1CCO[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574129721 949644816 /nfs/dbraw/zinc/64/48/16/949644816.db2.gz VZMOPICBPKCLNL-ZDUSSCGKSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)CC(C)(C)C(=O)N1CCO[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574129721 949644827 /nfs/dbraw/zinc/64/48/27/949644827.db2.gz VZMOPICBPKCLNL-ZDUSSCGKSA-N -1 1 388.476 1.368 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1csc(=O)[nH]1 ZINC001573815530 949654042 /nfs/dbraw/zinc/65/40/42/949654042.db2.gz IFSQAPMFBQNXMR-SNVBAGLBSA-N -1 1 389.445 1.075 20 0 GDADMM C[C@H](CC(=O)N(CCO)CCNc1nccnc1-c1nnn[n-]1)CC(C)(C)C ZINC001574477454 949655662 /nfs/dbraw/zinc/65/56/62/949655662.db2.gz OFLVYMJLRFJPHT-CYBMUJFWSA-N -1 1 390.492 1.352 20 0 GDADMM C[C@H](CC(=O)N(CCO)CCNc1nccnc1-c1nn[n-]n1)CC(C)(C)C ZINC001574477454 949655674 /nfs/dbraw/zinc/65/56/74/949655674.db2.gz OFLVYMJLRFJPHT-CYBMUJFWSA-N -1 1 390.492 1.352 20 0 GDADMM C[C@H](NC(=O)CCCc1ccccn1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575273622 949668055 /nfs/dbraw/zinc/66/80/55/949668055.db2.gz XOEPBKGQWQLTGF-STQMWFEESA-N -1 1 381.444 1.380 20 0 GDADMM C[C@H](NC(=O)CCCc1ccccn1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575273622 949668067 /nfs/dbraw/zinc/66/80/67/949668067.db2.gz XOEPBKGQWQLTGF-STQMWFEESA-N -1 1 381.444 1.380 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@H]1CCC(C)(C)CO1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574715840 949669428 /nfs/dbraw/zinc/66/94/28/949669428.db2.gz LHTFNVWHYLIXPL-QWHCGFSZSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@H]1CCC(C)(C)CO1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574715840 949669439 /nfs/dbraw/zinc/66/94/39/949669439.db2.gz LHTFNVWHYLIXPL-QWHCGFSZSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@]1(C(=O)N2CCN(c3snc(Cl)c3-c3nnn[n-]3)CC2)CCOC1 ZINC001575548357 949672507 /nfs/dbraw/zinc/67/25/07/949672507.db2.gz YBDFGFFTPJFEFS-CQSZACIVSA-N -1 1 383.865 1.052 20 0 GDADMM C[C@@]1(C(=O)N2CCN(c3snc(Cl)c3-c3nn[n-]n3)CC2)CCOC1 ZINC001575548357 949672520 /nfs/dbraw/zinc/67/25/20/949672520.db2.gz YBDFGFFTPJFEFS-CQSZACIVSA-N -1 1 383.865 1.052 20 0 GDADMM C[C@H]1CCCN(C(=O)C2CC3(CC3)C2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576169444 949675773 /nfs/dbraw/zinc/67/57/73/949675773.db2.gz XVWSHNPVYXBXBU-WFASDCNBSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@H]1CCCN(C(=O)C2CC3(CC3)C2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576169444 949675785 /nfs/dbraw/zinc/67/57/85/949675785.db2.gz XVWSHNPVYXBXBU-WFASDCNBSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)COC2CCCC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575878767 949681885 /nfs/dbraw/zinc/68/18/85/949681885.db2.gz OXXCHJVZJXSTLN-OCCSQVGLSA-N -1 1 386.460 1.089 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)COC2CCCC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575878767 949681897 /nfs/dbraw/zinc/68/18/97/949681897.db2.gz OXXCHJVZJXSTLN-OCCSQVGLSA-N -1 1 386.460 1.089 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccccc1 ZINC001574478111 949698896 /nfs/dbraw/zinc/69/88/96/949698896.db2.gz XSKITDGKVVZRFP-HOCLYGCPSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccccc1 ZINC001574478111 949698917 /nfs/dbraw/zinc/69/89/17/949698917.db2.gz XSKITDGKVVZRFP-HOCLYGCPSA-N -1 1 392.467 1.888 20 0 GDADMM C[C@@H](NC(=O)CCc1ccccc1F)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575276164 949711868 /nfs/dbraw/zinc/71/18/68/949711868.db2.gz HGIZUSJLLRDELQ-NWDGAFQWSA-N -1 1 384.419 1.156 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574959772 949712251 /nfs/dbraw/zinc/71/22/51/949712251.db2.gz SXUPKVPMNUMJNO-LEWSCRJBSA-N -1 1 382.403 1.516 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574959772 949712272 /nfs/dbraw/zinc/71/22/72/949712272.db2.gz SXUPKVPMNUMJNO-LEWSCRJBSA-N -1 1 382.403 1.516 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574959808 949719562 /nfs/dbraw/zinc/71/95/62/949719562.db2.gz UIRXJESXBXJPRD-KWCYVHTRSA-N -1 1 379.428 1.020 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574959808 949719576 /nfs/dbraw/zinc/71/95/76/949719576.db2.gz UIRXJESXBXJPRD-KWCYVHTRSA-N -1 1 379.428 1.020 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@H]1CCCC1(F)F)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574717018 949722065 /nfs/dbraw/zinc/72/20/65/949722065.db2.gz SBVMDJDYNFIZGK-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@H]1CCCC1(F)F)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574717018 949722084 /nfs/dbraw/zinc/72/20/84/949722084.db2.gz SBVMDJDYNFIZGK-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@@H]1CCC(F)(F)C1)Nc1nccnc1-c1nnn[n-]1 ZINC001574718184 949766340 /nfs/dbraw/zinc/76/63/40/949766340.db2.gz ZDVNQODPGVBMIR-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@@H]1CCC(F)(F)C1)Nc1nccnc1-c1nn[n-]n1 ZINC001574718184 949766360 /nfs/dbraw/zinc/76/63/60/949766360.db2.gz ZDVNQODPGVBMIR-QWRGUYRKSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H]1CCCC[C@H]1CC(=O)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576171608 949772571 /nfs/dbraw/zinc/77/25/71/949772571.db2.gz QOOHVUHKNWMDBY-GJZGRUSLSA-N -1 1 384.488 1.912 20 0 GDADMM C[C@H]1CCCC[C@H]1CC(=O)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576171608 949772578 /nfs/dbraw/zinc/77/25/78/949772578.db2.gz QOOHVUHKNWMDBY-GJZGRUSLSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@H]1CCCCO1 ZINC001573821924 949784018 /nfs/dbraw/zinc/78/40/18/949784018.db2.gz FNMNQJIAPZKVCK-OLZOCXBDSA-N -1 1 388.476 1.559 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@H]1CCCCO1 ZINC001573821924 949784030 /nfs/dbraw/zinc/78/40/30/949784030.db2.gz FNMNQJIAPZKVCK-OLZOCXBDSA-N -1 1 388.476 1.559 20 0 GDADMM C[C@H](CNC(=O)c1c(F)cc(F)cc1F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574964818 949784763 /nfs/dbraw/zinc/78/47/63/949784763.db2.gz ADZFYIAVUXWIEA-SSDOTTSWSA-N -1 1 378.318 1.304 20 0 GDADMM C[C@H](CNC(=O)c1c(F)cc(F)cc1F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574964818 949784782 /nfs/dbraw/zinc/78/47/82/949784782.db2.gz ADZFYIAVUXWIEA-SSDOTTSWSA-N -1 1 378.318 1.304 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1)C1CC1 ZINC001574481887 949807717 /nfs/dbraw/zinc/80/77/17/949807717.db2.gz XDCOTENDSUCZAS-KGLIPLIRSA-N -1 1 384.488 1.555 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1)C1CC1 ZINC001574481998 949814013 /nfs/dbraw/zinc/81/40/13/949814013.db2.gz YMUMXUPNESVQBZ-BFUOFWGJSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H](CC(=O)N1CC[C@@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1)C1CC1 ZINC001574481998 949814043 /nfs/dbraw/zinc/81/40/43/949814043.db2.gz YMUMXUPNESVQBZ-BFUOFWGJSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H](CNC(=O)c1c(F)cccc1Cl)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574965815 949815295 /nfs/dbraw/zinc/81/52/95/949815295.db2.gz MLQSJVMZFKCOTE-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@H](CNC(=O)c1c(F)cccc1Cl)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574965815 949815315 /nfs/dbraw/zinc/81/53/15/949815315.db2.gz MLQSJVMZFKCOTE-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM CC1(C(=O)NC2CCC(Nc3cncc(-c4nnn[n-]4)n3)CC2)CCOCC1 ZINC001575562314 949821312 /nfs/dbraw/zinc/82/13/12/949821312.db2.gz FKTKAJMNXDOVGN-UHFFFAOYSA-N -1 1 386.460 1.313 20 0 GDADMM CC1(C(=O)NC2CCC(Nc3cncc(-c4nn[n-]n4)n3)CC2)CCOCC1 ZINC001575562314 949821338 /nfs/dbraw/zinc/82/13/38/949821338.db2.gz FKTKAJMNXDOVGN-UHFFFAOYSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@@H](NC(=O)Cc1cc(C2CC2)no1)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575282735 949843651 /nfs/dbraw/zinc/84/36/51/949843651.db2.gz MHLARRRAIRMJPW-NXEZZACHSA-N -1 1 383.416 1.070 20 0 GDADMM C[C@@H](NC(=O)Cc1cc(C2CC2)no1)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575282735 949843671 /nfs/dbraw/zinc/84/36/71/949843671.db2.gz MHLARRRAIRMJPW-NXEZZACHSA-N -1 1 383.416 1.070 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)C1CC1 ZINC001574483775 949845131 /nfs/dbraw/zinc/84/51/31/949845131.db2.gz LWGOIVZJOJCNCC-AEGPPILISA-N -1 1 382.472 1.520 20 0 GDADMM C[C@@H](CC(=O)N1CCC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)C1CC1 ZINC001574483775 949845147 /nfs/dbraw/zinc/84/51/47/949845147.db2.gz LWGOIVZJOJCNCC-AEGPPILISA-N -1 1 382.472 1.520 20 0 GDADMM CC(C)(C)C1CC(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001573824483 949853381 /nfs/dbraw/zinc/85/33/81/949853381.db2.gz GMEYVQOFLFKCCS-JXQTWKCFSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)C1CC(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001573824483 949853394 /nfs/dbraw/zinc/85/33/94/949853394.db2.gz GMEYVQOFLFKCCS-JXQTWKCFSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H]1CCCN1c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001576177897 949864528 /nfs/dbraw/zinc/86/45/28/949864528.db2.gz DAIVDZCCDCCEQD-CMPLNLGQSA-N -1 1 383.416 1.039 20 0 GDADMM C[C@H]1CCCN1c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001576177897 949864546 /nfs/dbraw/zinc/86/45/46/949864546.db2.gz DAIVDZCCDCCEQD-CMPLNLGQSA-N -1 1 383.416 1.039 20 0 GDADMM C[C@@H](CN(C)C(=O)CN(C)c1ccccc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574724261 949868001 /nfs/dbraw/zinc/86/80/01/949868001.db2.gz FXPSPZHJUAHMIC-ZDUSSCGKSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](CN(C)C(=O)CN(C)c1ccccc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574724261 949868015 /nfs/dbraw/zinc/86/80/15/949868015.db2.gz FXPSPZHJUAHMIC-ZDUSSCGKSA-N -1 1 381.444 1.052 20 0 GDADMM C[C@@H](CC(=O)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1)n1cccc1 ZINC001574484159 949867754 /nfs/dbraw/zinc/86/77/54/949867754.db2.gz DCZCLJMFVGPGLP-AWEZNQCLSA-N -1 1 381.444 1.148 20 0 GDADMM C[C@@H](CC(=O)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1)n1cccc1 ZINC001574484159 949867773 /nfs/dbraw/zinc/86/77/73/949867773.db2.gz DCZCLJMFVGPGLP-AWEZNQCLSA-N -1 1 381.444 1.148 20 0 GDADMM C[C@H]1[C@H](NC(=O)Cc2cccs2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575886214 949877936 /nfs/dbraw/zinc/87/79/36/949877936.db2.gz XMAKAONMQNJBCQ-WCQYABFASA-N -1 1 384.469 1.434 20 0 GDADMM C[C@H]1[C@H](NC(=O)Cc2cccs2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575886214 949877961 /nfs/dbraw/zinc/87/79/61/949877961.db2.gz XMAKAONMQNJBCQ-WCQYABFASA-N -1 1 384.469 1.434 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574143067 949891548 /nfs/dbraw/zinc/89/15/48/949891548.db2.gz FYNDXLQZLCPFBX-KBPBESRZSA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)C[C@H](C)OCCC(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574143067 949891559 /nfs/dbraw/zinc/89/15/59/949891559.db2.gz FYNDXLQZLCPFBX-KBPBESRZSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574484645 949895402 /nfs/dbraw/zinc/89/54/02/949895402.db2.gz LFHOKGUOOAPSEY-NXEZZACHSA-N -1 1 384.366 1.070 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cc(F)c[nH]2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576178705 949898864 /nfs/dbraw/zinc/89/88/64/949898864.db2.gz CMZAMQRRVWCVMO-YGRLFVJLSA-N -1 1 385.407 1.477 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cc(F)c[nH]2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576178705 949898888 /nfs/dbraw/zinc/89/88/88/949898888.db2.gz CMZAMQRRVWCVMO-YGRLFVJLSA-N -1 1 385.407 1.477 20 0 GDADMM C[C@H]1CCCN(C(=O)c2nccs2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576178800 949898931 /nfs/dbraw/zinc/89/89/31/949898931.db2.gz IVWVRBFKMIXVCD-WDEREUQCSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H]1CCCN(C(=O)c2nccs2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576178800 949898957 /nfs/dbraw/zinc/89/89/57/949898957.db2.gz IVWVRBFKMIXVCD-WDEREUQCSA-N -1 1 385.457 1.466 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574146290 949940066 /nfs/dbraw/zinc/94/00/66/949940066.db2.gz XKTFUDZXODHJSF-ZIAGYGMSSA-N -1 1 388.476 1.193 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574146290 949940085 /nfs/dbraw/zinc/94/00/85/949940085.db2.gz XKTFUDZXODHJSF-ZIAGYGMSSA-N -1 1 388.476 1.193 20 0 GDADMM CC1(C)CN(c2nccnc2-c2nnn[n-]2)C[C@H]1NC(=O)[C@@]1(C)CC=CCC1 ZINC001575572640 949980335 /nfs/dbraw/zinc/98/03/35/949980335.db2.gz HWKZTQFHQCCSPG-YJYMSZOUSA-N -1 1 382.472 1.734 20 0 GDADMM CC1(C)CN(c2nccnc2-c2nn[n-]n2)C[C@H]1NC(=O)[C@@]1(C)CC=CCC1 ZINC001575572640 949980353 /nfs/dbraw/zinc/98/03/53/949980353.db2.gz HWKZTQFHQCCSPG-YJYMSZOUSA-N -1 1 382.472 1.734 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ccc(Cl)cc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574728545 949988402 /nfs/dbraw/zinc/98/84/02/949988402.db2.gz CSTYCQPBBWYROW-LLVKDONJSA-N -1 1 386.847 1.812 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ccc(Cl)cc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574728545 949988422 /nfs/dbraw/zinc/98/84/22/949988422.db2.gz CSTYCQPBBWYROW-LLVKDONJSA-N -1 1 386.847 1.812 20 0 GDADMM C[C@H](CC(=O)N[C@@]1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)C1)n1cccc1 ZINC001574490775 950018763 /nfs/dbraw/zinc/01/87/63/950018763.db2.gz YUAQQBZBFPLELM-ACJLOTCBSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H](CC(=O)N[C@@]1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)C1)n1cccc1 ZINC001574490775 950018786 /nfs/dbraw/zinc/01/87/86/950018786.db2.gz YUAQQBZBFPLELM-ACJLOTCBSA-N -1 1 381.444 1.195 20 0 GDADMM C[C@H]1CCN(C(=O)C2CC(C)(C)C2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576181696 950019721 /nfs/dbraw/zinc/01/97/21/950019721.db2.gz JDPXVEJIAAEPOT-GXTWGEPZSA-N -1 1 384.488 1.411 20 0 GDADMM C[C@@H]1CCN(C(=O)CCCC2CC2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576182037 950032172 /nfs/dbraw/zinc/03/21/72/950032172.db2.gz KQCIYSWXUSWTFF-HIFRSBDPSA-N -1 1 384.488 1.555 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ccc(F)cc2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575891875 950040548 /nfs/dbraw/zinc/04/05/48/950040548.db2.gz ORVMYONGJADNEV-RISCZKNCSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccccc2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576182767 950065055 /nfs/dbraw/zinc/06/50/55/950065055.db2.gz PGRLRMHXNPQRKG-HIFRSBDPSA-N -1 1 378.440 1.431 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2cccc(F)c2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575892738 950080098 /nfs/dbraw/zinc/08/00/98/950080098.db2.gz YXKCFWSBBPSLOJ-RISCZKNCSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2cccc(F)c2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575892738 950080120 /nfs/dbraw/zinc/08/01/20/950080120.db2.gz YXKCFWSBBPSLOJ-RISCZKNCSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cccn2C)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576183700 950100128 /nfs/dbraw/zinc/10/01/28/950100128.db2.gz SRIVBZRPMVWEEJ-IUODEOHRSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cccn2C)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576183700 950100145 /nfs/dbraw/zinc/10/01/45/950100145.db2.gz SRIVBZRPMVWEEJ-IUODEOHRSA-N -1 1 381.444 1.348 20 0 GDADMM CC(C)(C)CC(=O)NC[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1 ZINC001573837364 950107314 /nfs/dbraw/zinc/10/73/14/950107314.db2.gz YBKPMTXKUQSKJK-GFCCVEGCSA-N -1 1 378.502 1.681 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cc(F)c[nH]2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576183990 950110289 /nfs/dbraw/zinc/11/02/89/950110289.db2.gz UUYHAEOGIUTPNB-YGRLFVJLSA-N -1 1 385.407 1.477 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cc(F)c[nH]2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576183990 950110300 /nfs/dbraw/zinc/11/03/00/950110300.db2.gz UUYHAEOGIUTPNB-YGRLFVJLSA-N -1 1 385.407 1.477 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccon2)[C@@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576184275 950118494 /nfs/dbraw/zinc/11/84/94/950118494.db2.gz VSZGNEXMGSTGFM-BXUZGUMPSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccon2)[C@@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576184275 950118506 /nfs/dbraw/zinc/11/85/06/950118506.db2.gz VSZGNEXMGSTGFM-BXUZGUMPSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccon2)[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576184276 950119653 /nfs/dbraw/zinc/11/96/53/950119653.db2.gz VSZGNEXMGSTGFM-FZMZJTMJSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@H]1CCCN(C(=O)c2ccon2)[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576184276 950119665 /nfs/dbraw/zinc/11/96/65/950119665.db2.gz VSZGNEXMGSTGFM-FZMZJTMJSA-N -1 1 383.416 1.388 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cccn2C)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576184748 950142218 /nfs/dbraw/zinc/14/22/18/950142218.db2.gz XLKNLYFMFPKCTG-JSGCOSHPSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cccn2C)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576184748 950142231 /nfs/dbraw/zinc/14/22/31/950142231.db2.gz XLKNLYFMFPKCTG-JSGCOSHPSA-N -1 1 381.444 1.348 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cccnc2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576184756 950142834 /nfs/dbraw/zinc/14/28/34/950142834.db2.gz XNCWUVNRHYCRLS-IUODEOHRSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2cccnc2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576184756 950142847 /nfs/dbraw/zinc/14/28/47/950142847.db2.gz XNCWUVNRHYCRLS-IUODEOHRSA-N -1 1 379.428 1.405 20 0 GDADMM CC1(C(=O)NC[C@@H]2[C@H]3CN(c4nc(-c5nn[n-]n5)c(Cl)s4)C[C@H]32)CC1 ZINC001575584366 950166617 /nfs/dbraw/zinc/16/66/17/950166617.db2.gz QBFZXMJXNCWDJO-PSVAKVPMSA-N -1 1 379.877 1.575 20 0 GDADMM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)C(C)(F)F ZINC001574154288 950171281 /nfs/dbraw/zinc/17/12/81/950171281.db2.gz CTEHIIXDULYNQG-WDEREUQCSA-N -1 1 382.419 1.313 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccsn2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576190833 950173014 /nfs/dbraw/zinc/17/30/14/950173014.db2.gz CCOLCVMMXXHZEI-QWRGUYRKSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H]1CCN(C(=O)c2ccsn2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576190833 950173028 /nfs/dbraw/zinc/17/30/28/950173028.db2.gz CCOLCVMMXXHZEI-QWRGUYRKSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2occc2Cl)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575899833 950184167 /nfs/dbraw/zinc/18/41/67/950184167.db2.gz ADLRARSKLVAWSL-ONGXEEELSA-N -1 1 388.819 1.690 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2occc2Cl)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575899833 950184180 /nfs/dbraw/zinc/18/41/80/950184180.db2.gz ADLRARSKLVAWSL-ONGXEEELSA-N -1 1 388.819 1.690 20 0 GDADMM CC(C)[C@@H](CNC(=O)C[C@@H](C)c1ccco1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574494871 950187105 /nfs/dbraw/zinc/18/71/05/950187105.db2.gz PNYQGGSMLXLTKL-CHWSQXEVSA-N -1 1 384.444 1.996 20 0 GDADMM CC(C)[C@@H](CNC(=O)C[C@@H](C)c1ccco1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574494871 950187125 /nfs/dbraw/zinc/18/71/25/950187125.db2.gz PNYQGGSMLXLTKL-CHWSQXEVSA-N -1 1 384.444 1.996 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CCc1ccon1 ZINC001574155234 950189174 /nfs/dbraw/zinc/18/91/74/950189174.db2.gz KIKPKNLTCQPMNV-CYBMUJFWSA-N -1 1 385.432 1.220 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CCc1ccon1 ZINC001574155234 950189186 /nfs/dbraw/zinc/18/91/86/950189186.db2.gz KIKPKNLTCQPMNV-CYBMUJFWSA-N -1 1 385.432 1.220 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2sccc2F)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575900138 950190315 /nfs/dbraw/zinc/19/03/15/950190315.db2.gz CORCSLPMQGKJDN-ONGXEEELSA-N -1 1 388.432 1.645 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2sccc2F)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575900138 950190319 /nfs/dbraw/zinc/19/03/19/950190319.db2.gz CORCSLPMQGKJDN-ONGXEEELSA-N -1 1 388.432 1.645 20 0 GDADMM CC1(C(=O)NCC2CCN(c3nccnc3-c3nnn[n-]3)CC2)CC(F)(F)C1 ZINC001575586065 950212000 /nfs/dbraw/zinc/21/20/00/950212000.db2.gz GUCLWJMOFCFVKL-UHFFFAOYSA-N -1 1 392.414 1.425 20 0 GDADMM CC1(C(=O)NCC2CCN(c3nccnc3-c3nn[n-]n3)CC2)CC(F)(F)C1 ZINC001575586065 950212010 /nfs/dbraw/zinc/21/20/10/950212010.db2.gz GUCLWJMOFCFVKL-UHFFFAOYSA-N -1 1 392.414 1.425 20 0 GDADMM CC1(C(=O)NC[C@H]2CCCN2c2ccc(-c3nnn[n-]3)nn2)CC(F)(F)C1 ZINC001575586770 950222818 /nfs/dbraw/zinc/22/28/18/950222818.db2.gz JRBJCIDHEYMLLD-SNVBAGLBSA-N -1 1 378.387 1.177 20 0 GDADMM CC1(C(=O)NC[C@H]2CCCN2c2ccc(-c3nn[n-]n3)nn2)CC(F)(F)C1 ZINC001575586770 950222839 /nfs/dbraw/zinc/22/28/39/950222839.db2.gz JRBJCIDHEYMLLD-SNVBAGLBSA-N -1 1 378.387 1.177 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cccnc2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576192915 950277212 /nfs/dbraw/zinc/27/72/12/950277212.db2.gz RHTPKIMEGPUMSM-TZMCWYRMSA-N -1 1 379.428 1.262 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cccnc2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576192915 950277236 /nfs/dbraw/zinc/27/72/36/950277236.db2.gz RHTPKIMEGPUMSM-TZMCWYRMSA-N -1 1 379.428 1.262 20 0 GDADMM C[C@@]1(C(=O)NCCC[C@@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)C=CCC1 ZINC001575592225 950283935 /nfs/dbraw/zinc/28/39/35/950283935.db2.gz DNVWNKKQBBOKKU-AUUYWEPGSA-N -1 1 382.472 1.878 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@H](C)n1cccn1 ZINC001574158795 950291006 /nfs/dbraw/zinc/29/10/06/950291006.db2.gz SSJCRTNONFQAHH-STQMWFEESA-N -1 1 384.448 1.057 20 0 GDADMM CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@H](C)n1cccn1 ZINC001574158795 950291020 /nfs/dbraw/zinc/29/10/20/950291020.db2.gz SSJCRTNONFQAHH-STQMWFEESA-N -1 1 384.448 1.057 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cccs2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576193337 950294740 /nfs/dbraw/zinc/29/47/40/950294740.db2.gz SZFXISYRYKXFGE-NEPJUHHUSA-N -1 1 384.469 1.929 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cccs2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576193337 950294752 /nfs/dbraw/zinc/29/47/52/950294752.db2.gz SZFXISYRYKXFGE-NEPJUHHUSA-N -1 1 384.469 1.929 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](O)CNc1snc(Cl)c1-c1nnn[n-]1)C1CC1 ZINC001574499386 950298688 /nfs/dbraw/zinc/29/86/88/950298688.db2.gz UFRNBWCOSWBKSR-VXNVDRBHSA-N -1 1 385.881 1.302 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](O)CNc1snc(Cl)c1-c1nn[n-]n1)C1CC1 ZINC001574499386 950298710 /nfs/dbraw/zinc/29/87/10/950298710.db2.gz UFRNBWCOSWBKSR-VXNVDRBHSA-N -1 1 385.881 1.302 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2coc(-c3nnn[n-]3)c2)[C@@H](F)C1 ZINC001573852790 950311902 /nfs/dbraw/zinc/31/19/02/950311902.db2.gz JEOOOLQMJBBTTF-WDEREUQCSA-N -1 1 380.380 1.537 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2coc(-c3nn[n-]n3)c2)[C@@H](F)C1 ZINC001573852790 950311923 /nfs/dbraw/zinc/31/19/23/950311923.db2.gz JEOOOLQMJBBTTF-WDEREUQCSA-N -1 1 380.380 1.537 20 0 GDADMM C[C@@H]1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C[C@H]1C(=O)OC(C)(C)C ZINC001576194316 950337862 /nfs/dbraw/zinc/33/78/62/950337862.db2.gz YTJZEMZDABMTFW-GHMZBOCLSA-N -1 1 390.448 1.432 20 0 GDADMM C[C@@H]1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C[C@H]1C(=O)OC(C)(C)C ZINC001576194316 950337879 /nfs/dbraw/zinc/33/78/79/950337879.db2.gz YTJZEMZDABMTFW-GHMZBOCLSA-N -1 1 390.448 1.432 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCCCCN1c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001574501701 950341049 /nfs/dbraw/zinc/34/10/49/950341049.db2.gz GNTYGQZUAMQWMZ-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCCCCN1c1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001574501701 950341068 /nfs/dbraw/zinc/34/10/68/950341068.db2.gz GNTYGQZUAMQWMZ-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)c1ccco1 ZINC001574501922 950345083 /nfs/dbraw/zinc/34/50/83/950345083.db2.gz HMHLDQMXYYUBCC-OLZOCXBDSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](CC(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)c1ccco1 ZINC001574501922 950345101 /nfs/dbraw/zinc/34/51/01/950345101.db2.gz HMHLDQMXYYUBCC-OLZOCXBDSA-N -1 1 382.428 1.529 20 0 GDADMM CC1(C(=O)NC[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)CCC2(F)F)CC1 ZINC001575595988 950363107 /nfs/dbraw/zinc/36/31/07/950363107.db2.gz RESURZFZKVKAAR-JTQLQIEISA-N -1 1 378.387 1.035 20 0 GDADMM CC1(C(=O)NC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CCC2(F)F)CC1 ZINC001575595988 950363126 /nfs/dbraw/zinc/36/31/26/950363126.db2.gz RESURZFZKVKAAR-JTQLQIEISA-N -1 1 378.387 1.035 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CCC1(F)F ZINC001574162460 950380267 /nfs/dbraw/zinc/38/02/67/950380267.db2.gz BAULPYLCUUJLMU-GHMZBOCLSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CCC1(F)F ZINC001574162460 950380287 /nfs/dbraw/zinc/38/02/87/950380287.db2.gz BAULPYLCUUJLMU-GHMZBOCLSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)CC1(C(=O)N(C)C[C@@H](O)CNc2nccnc2-c2nnn[n-]2)CCC1 ZINC001574162649 950396083 /nfs/dbraw/zinc/39/60/83/950396083.db2.gz GGIMDMDEBRVFID-ZDUSSCGKSA-N -1 1 388.476 1.104 20 0 GDADMM CC(C)CC1(C(=O)N(C)C[C@@H](O)CNc2nccnc2-c2nn[n-]n2)CCC1 ZINC001574162649 950396100 /nfs/dbraw/zinc/39/61/00/950396100.db2.gz GGIMDMDEBRVFID-ZDUSSCGKSA-N -1 1 388.476 1.104 20 0 GDADMM CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(-c3nnn[n-]3)o2)C1 ZINC001573857418 950403457 /nfs/dbraw/zinc/40/34/57/950403457.db2.gz QJTXQMBBIGCYAU-VOJFVSQTSA-N -1 1 388.428 1.979 20 0 GDADMM CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(-c3nn[n-]n3)o2)C1 ZINC001573857418 950403470 /nfs/dbraw/zinc/40/34/70/950403470.db2.gz QJTXQMBBIGCYAU-VOJFVSQTSA-N -1 1 388.428 1.979 20 0 GDADMM CC(C)(C)OC(=O)NC1CC2(C1)CC(NC(=O)c1cccc(-c3nnn[n-]3)n1)C2 ZINC001573860051 950418375 /nfs/dbraw/zinc/41/83/75/950418375.db2.gz BYPBIOYLIADDAF-UHFFFAOYSA-N -1 1 399.455 1.827 20 0 GDADMM CC(C)(C)OC(=O)NC1CC2(C1)CC(NC(=O)c1cccc(-c3nn[n-]n3)n1)C2 ZINC001573860051 950418392 /nfs/dbraw/zinc/41/83/92/950418392.db2.gz BYPBIOYLIADDAF-UHFFFAOYSA-N -1 1 399.455 1.827 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1ccsc1 ZINC001575910736 950430739 /nfs/dbraw/zinc/43/07/39/950430739.db2.gz BHPNVQRZXTWTNP-AAEUAGOBSA-N -1 1 384.469 1.752 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCc1ccsc1 ZINC001575910736 950430760 /nfs/dbraw/zinc/43/07/60/950430760.db2.gz BHPNVQRZXTWTNP-AAEUAGOBSA-N -1 1 384.469 1.752 20 0 GDADMM CCN(CC)CC(=O)Nc1cccc(NC(=O)C2(C(=O)[O-])CCOCC2)c1 ZINC001589722812 950432216 /nfs/dbraw/zinc/43/22/16/950432216.db2.gz HAXQQZBPMUHWEX-UHFFFAOYSA-N -1 1 377.441 1.787 20 0 GDADMM CC(C)CC1(C(=O)N2CCCN(c3cnc(-c4nnn[n-]4)cn3)CC2)CCC1 ZINC001574165249 950441251 /nfs/dbraw/zinc/44/12/51/950441251.db2.gz AQBXXCAHCOXUIM-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)CC1(C(=O)N2CCCN(c3cnc(-c4nn[n-]n4)cn3)CC2)CCC1 ZINC001574165249 950441260 /nfs/dbraw/zinc/44/12/60/950441260.db2.gz AQBXXCAHCOXUIM-UHFFFAOYSA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)CC1(C(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CCCC1 ZINC001574165484 950444615 /nfs/dbraw/zinc/44/46/15/950444615.db2.gz DXKPOEGROIOHNV-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CC1(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CCCC1 ZINC001574165484 950444631 /nfs/dbraw/zinc/44/46/31/950444631.db2.gz DXKPOEGROIOHNV-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CC1(C(=O)NC[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CCC1 ZINC001574166135 950459026 /nfs/dbraw/zinc/45/90/26/950459026.db2.gz NLOSFFUDYZTOHD-CQSZACIVSA-N -1 1 384.488 1.816 20 0 GDADMM CC1(C(=O)N[C@H]2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)CC2)CCOCC1 ZINC001575605556 950468170 /nfs/dbraw/zinc/46/81/70/950468170.db2.gz LQEZTZCBBRWXFI-JOCQHMNTSA-N -1 1 386.460 1.313 20 0 GDADMM CC1(C(=O)N[C@H]2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)CC2)CCOCC1 ZINC001575605556 950468186 /nfs/dbraw/zinc/46/81/86/950468186.db2.gz LQEZTZCBBRWXFI-JOCQHMNTSA-N -1 1 386.460 1.313 20 0 GDADMM CC(C)CC1(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CCCC1 ZINC001574166556 950469163 /nfs/dbraw/zinc/46/91/63/950469163.db2.gz SNEBGIQTMGKSHF-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CC1(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CCCC1 ZINC001574166556 950469173 /nfs/dbraw/zinc/46/91/73/950469173.db2.gz SNEBGIQTMGKSHF-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001574508509 950481562 /nfs/dbraw/zinc/48/15/62/950481562.db2.gz PCAKWOAXRPTFSS-LPEHRKFASA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001574508509 950481577 /nfs/dbraw/zinc/48/15/77/950481577.db2.gz PCAKWOAXRPTFSS-LPEHRKFASA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](CC(=O)N[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001574508868 950486617 /nfs/dbraw/zinc/48/66/17/950486617.db2.gz PRMMUAYMOVVDDZ-NEPJUHHUSA-N -1 1 384.419 1.328 20 0 GDADMM CC(C)(C)OC(=O)c1cc(NC(=O)Cc2ccc(-c3nnn[n-]3)nc2)ccn1 ZINC001573863767 950489903 /nfs/dbraw/zinc/48/99/03/950489903.db2.gz PTRWETQOUAHVCC-UHFFFAOYSA-N -1 1 381.396 1.793 20 0 GDADMM CC(C)(C)OC(=O)c1cc(NC(=O)Cc2ccc(-c3nn[n-]n3)nc2)ccn1 ZINC001573863767 950489913 /nfs/dbraw/zinc/48/99/13/950489913.db2.gz PTRWETQOUAHVCC-UHFFFAOYSA-N -1 1 381.396 1.793 20 0 GDADMM CC(C)c1ccc(C(=O)N(C)C[C@@H](C)Nc2nccnc2-c2nnn[n-]2)nc1 ZINC001574752616 950490131 /nfs/dbraw/zinc/49/01/31/950490131.db2.gz DLBBDHYWNXDMLZ-GFCCVEGCSA-N -1 1 381.444 1.748 20 0 GDADMM CC(C)c1ccc(C(=O)N(C)C[C@@H](C)Nc2nccnc2-c2nn[n-]n2)nc1 ZINC001574752616 950490144 /nfs/dbraw/zinc/49/01/44/950490144.db2.gz DLBBDHYWNXDMLZ-GFCCVEGCSA-N -1 1 381.444 1.748 20 0 GDADMM CC1(C(=O)N[C@H]2CC[C@H](Nc3nccnc3-c3nnn[n-]3)CC2)CC(F)(F)C1 ZINC001575605950 950490690 /nfs/dbraw/zinc/49/06/90/950490690.db2.gz XNJYMLDWIMNZMX-XYPYZODXSA-N -1 1 392.414 1.931 20 0 GDADMM CC1(C(=O)N[C@H]2CC[C@H](Nc3nccnc3-c3nn[n-]n3)CC2)CC(F)(F)C1 ZINC001575605950 950490702 /nfs/dbraw/zinc/49/07/02/950490702.db2.gz XNJYMLDWIMNZMX-XYPYZODXSA-N -1 1 392.414 1.931 20 0 GDADMM CC(C)(C)OCC(=O)N1CCC[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001573866769 950516201 /nfs/dbraw/zinc/51/62/01/950516201.db2.gz MCUKMEMSPGVHHB-CYBMUJFWSA-N -1 1 388.476 1.512 20 0 GDADMM CC(C)(C)OCC(=O)N1CCC[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001573866769 950516226 /nfs/dbraw/zinc/51/62/26/950516226.db2.gz MCUKMEMSPGVHHB-CYBMUJFWSA-N -1 1 388.476 1.512 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc(C(F)F)nc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574753526 950528971 /nfs/dbraw/zinc/52/89/71/950528971.db2.gz OKVXIAXYWQMWJF-VIFPVBQESA-N -1 1 389.370 1.562 20 0 GDADMM C[C@@H](CN(C)C(=O)c1ccc(C(F)F)nc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574753526 950528995 /nfs/dbraw/zinc/52/89/95/950528995.db2.gz OKVXIAXYWQMWJF-VIFPVBQESA-N -1 1 389.370 1.562 20 0 GDADMM CC(C)CCC(=O)N1C[C@@H]2CCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)[C@@H]2C1 ZINC001574170040 950530514 /nfs/dbraw/zinc/53/05/14/950530514.db2.gz DPHJKNTZSKCHFE-ZNMIVQPWSA-N -1 1 384.488 1.554 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)COCC1CCCC1 ZINC001575916181 950535249 /nfs/dbraw/zinc/53/52/49/950535249.db2.gz PQCFQIVPASNQFJ-GXTWGEPZSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)COCC1CCCC1 ZINC001575916181 950535271 /nfs/dbraw/zinc/53/52/71/950535271.db2.gz PQCFQIVPASNQFJ-GXTWGEPZSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@H](CNC(=O)c1cc(C(C)(C)C)on1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574997723 950550952 /nfs/dbraw/zinc/55/09/52/950550952.db2.gz XGYIQZPIUMXMID-SNVBAGLBSA-N -1 1 385.432 1.197 20 0 GDADMM C[C@H](CNC(=O)c1cc(C(C)(C)C)on1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574997723 950550964 /nfs/dbraw/zinc/55/09/64/950550964.db2.gz XGYIQZPIUMXMID-SNVBAGLBSA-N -1 1 385.432 1.197 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)NC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575615571 950567546 /nfs/dbraw/zinc/56/75/46/950567546.db2.gz BKKWTYNNGHLUMG-LBPRGKRZSA-N -1 1 384.488 1.672 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)NC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575615571 950567561 /nfs/dbraw/zinc/56/75/61/950567561.db2.gz BKKWTYNNGHLUMG-LBPRGKRZSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)(C)OCC(=O)NC1(CNc2cnc(-c3nnn[n-]3)cn2)CCCCC1 ZINC001573869969 950581909 /nfs/dbraw/zinc/58/19/09/950581909.db2.gz SQSKDTUITKNHJA-UHFFFAOYSA-N -1 1 388.476 1.703 20 0 GDADMM CC(C)(C)OCC(=O)NC1(CNc2cnc(-c3nn[n-]n3)cn2)CCCCC1 ZINC001573869969 950581924 /nfs/dbraw/zinc/58/19/24/950581924.db2.gz SQSKDTUITKNHJA-UHFFFAOYSA-N -1 1 388.476 1.703 20 0 GDADMM CC(C)CCC(=O)N1CCC[C@H]2CN(c3nccnc3-c3nnn[n-]3)CC[C@@H]21 ZINC001574172784 950583171 /nfs/dbraw/zinc/58/31/71/950583171.db2.gz BODDMDMPMORIHM-GJZGRUSLSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CCC(=O)N1CCC[C@H]2CN(c3nccnc3-c3nn[n-]n3)CC[C@@H]21 ZINC001574172784 950583179 /nfs/dbraw/zinc/58/31/79/950583179.db2.gz BODDMDMPMORIHM-GJZGRUSLSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CCC(=O)N1CCC[C@H]2CN(c3nccnc3-c3nnn[n-]3)CC[C@H]21 ZINC001574172794 950585045 /nfs/dbraw/zinc/58/50/45/950585045.db2.gz BODDMDMPMORIHM-LSDHHAIUSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)CCC(=O)N1CCC[C@H]2CN(c3nccnc3-c3nn[n-]n3)CC[C@H]21 ZINC001574172794 950585065 /nfs/dbraw/zinc/58/50/65/950585065.db2.gz BODDMDMPMORIHM-LSDHHAIUSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccc(Cl)cc1 ZINC001575918414 950590211 /nfs/dbraw/zinc/59/02/11/950590211.db2.gz BSZCIIOZQCDFMJ-MFKMUULPSA-N -1 1 384.831 1.447 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H]1C)n1cccc1 ZINC001574513338 950606081 /nfs/dbraw/zinc/60/60/81/950606081.db2.gz OWZLQRPJSFOTLN-MCIONIFRSA-N -1 1 381.444 1.193 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H]1C)n1cccc1 ZINC001574513338 950606097 /nfs/dbraw/zinc/60/60/97/950606097.db2.gz OWZLQRPJSFOTLN-MCIONIFRSA-N -1 1 381.444 1.193 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C)c1ccco1 ZINC001574513537 950608257 /nfs/dbraw/zinc/60/82/57/950608257.db2.gz SFMXQZJWIXQLHT-XQQFMLRXSA-N -1 1 382.428 1.527 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C)c1ccco1 ZINC001574513537 950608273 /nfs/dbraw/zinc/60/82/73/950608273.db2.gz SFMXQZJWIXQLHT-XQQFMLRXSA-N -1 1 382.428 1.527 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cccnc1C1CC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574758584 950615485 /nfs/dbraw/zinc/61/54/85/950615485.db2.gz DVYIFCKVQPEGOK-NSHDSACASA-N -1 1 379.428 1.502 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cccnc1C1CC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574758584 950615494 /nfs/dbraw/zinc/61/54/94/950615494.db2.gz DVYIFCKVQPEGOK-NSHDSACASA-N -1 1 379.428 1.502 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)C1CCCCC1 ZINC001574513764 950619738 /nfs/dbraw/zinc/61/97/38/950619738.db2.gz YNHWVXKSBHCWPG-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)C1CCCCC1 ZINC001574513764 950619757 /nfs/dbraw/zinc/61/97/57/950619757.db2.gz YNHWVXKSBHCWPG-HIFRSBDPSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cccnc1C(F)F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574758946 950623640 /nfs/dbraw/zinc/62/36/40/950623640.db2.gz IFUHZWBJKMTWPQ-VIFPVBQESA-N -1 1 389.370 1.562 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cccnc1C(F)F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574758946 950623656 /nfs/dbraw/zinc/62/36/56/950623656.db2.gz IFUHZWBJKMTWPQ-VIFPVBQESA-N -1 1 389.370 1.562 20 0 GDADMM CC1(C)C(C(=O)N[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1(C)C ZINC001575619792 950623837 /nfs/dbraw/zinc/62/38/37/950623837.db2.gz PRWHONXBERJDKH-LBPRGKRZSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C(C(=O)N[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)CC2)C1(C)C ZINC001575619792 950623848 /nfs/dbraw/zinc/62/38/48/950623848.db2.gz PRWHONXBERJDKH-LBPRGKRZSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1ccccc1 ZINC001575919846 950624214 /nfs/dbraw/zinc/62/42/14/950624214.db2.gz KNMRDCMFSGRLNO-UKRRQHHQSA-N -1 1 378.440 1.113 20 0 GDADMM CC1(C)C2CCC1(C(=O)N1CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C1)CC2 ZINC001575623086 950648566 /nfs/dbraw/zinc/64/85/66/950648566.db2.gz HPDRVKIOLPDBFN-FWHMADFJSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(C)C2CCC1(C(=O)N1CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C1)CC2 ZINC001575623086 950648573 /nfs/dbraw/zinc/64/85/73/950648573.db2.gz HPDRVKIOLPDBFN-FWHMADFJSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(C)C2CCC1(C(=O)N[C@H]1CCN(c3ccc(-c4nnn[n-]4)nn3)C1)CC2 ZINC001575623300 950648666 /nfs/dbraw/zinc/64/86/66/950648666.db2.gz JLCFENFWZDJXKN-MLZJXEJWSA-N -1 1 382.472 1.568 20 0 GDADMM CC1(C)C2CCC1(C(=O)N[C@H]1CCN(c3ccc(-c4nn[n-]n4)nn3)C1)CC2 ZINC001575623300 950648679 /nfs/dbraw/zinc/64/86/79/950648679.db2.gz JLCFENFWZDJXKN-MLZJXEJWSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1csc(Cl)n1 ZINC001575924197 950667773 /nfs/dbraw/zinc/66/77/73/950667773.db2.gz DWSARGOXIAIOKA-SFYZADRCSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1csc(Cl)n1 ZINC001575924197 950667794 /nfs/dbraw/zinc/66/77/94/950667794.db2.gz DWSARGOXIAIOKA-SFYZADRCSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@@H](CNC(=O)c1cc2c(s1)CCC2)CNc1nccnc1-c1nnn[n-]1 ZINC001575003229 950676022 /nfs/dbraw/zinc/67/60/22/950676022.db2.gz ZRQRAJUPDYYQJT-SNVBAGLBSA-N -1 1 384.469 1.685 20 0 GDADMM C[C@@H](CNC(=O)c1cc2c(s1)CCC2)CNc1nccnc1-c1nn[n-]n1 ZINC001575003229 950676032 /nfs/dbraw/zinc/67/60/32/950676032.db2.gz ZRQRAJUPDYYQJT-SNVBAGLBSA-N -1 1 384.469 1.685 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cccnc1C(F)F)Nc1nccnc1-c1nnn[n-]1 ZINC001574760737 950677322 /nfs/dbraw/zinc/67/73/22/950677322.db2.gz YZEPWNQGHBWBBW-VIFPVBQESA-N -1 1 389.370 1.562 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cccnc1C(F)F)Nc1nccnc1-c1nn[n-]n1 ZINC001574760737 950677329 /nfs/dbraw/zinc/67/73/29/950677329.db2.gz YZEPWNQGHBWBBW-VIFPVBQESA-N -1 1 389.370 1.562 20 0 GDADMM C[C@H](CNC(=O)c1cc2c(s1)CCC2)CNc1nccnc1-c1nnn[n-]1 ZINC001575003228 950677640 /nfs/dbraw/zinc/67/76/40/950677640.db2.gz ZRQRAJUPDYYQJT-JTQLQIEISA-N -1 1 384.469 1.685 20 0 GDADMM C[C@H](CNC(=O)c1cc2c(s1)CCC2)CNc1nccnc1-c1nn[n-]n1 ZINC001575003228 950677652 /nfs/dbraw/zinc/67/76/52/950677652.db2.gz ZRQRAJUPDYYQJT-JTQLQIEISA-N -1 1 384.469 1.685 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccnc(C2CC2)n1 ZINC001575925161 950679251 /nfs/dbraw/zinc/67/92/51/950679251.db2.gz SXKQOIJMUOTZJL-CMPLNLGQSA-N -1 1 392.427 1.039 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccnc(C2CC2)n1 ZINC001575925161 950679262 /nfs/dbraw/zinc/67/92/62/950679262.db2.gz SXKQOIJMUOTZJL-CMPLNLGQSA-N -1 1 392.427 1.039 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccnc(C2CC2)n1 ZINC001575925178 950680216 /nfs/dbraw/zinc/68/02/16/950680216.db2.gz SXKQOIJMUOTZJL-ZYHUDNBSSA-N -1 1 392.427 1.039 20 0 GDADMM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccnc(C2CC2)n1 ZINC001575925178 950680228 /nfs/dbraw/zinc/68/02/28/950680228.db2.gz SXKQOIJMUOTZJL-ZYHUDNBSSA-N -1 1 392.427 1.039 20 0 GDADMM CC1(C)C2CCC1(C(=O)NCC1(Nc3cnc(-c4nnn[n-]4)cn3)CC1)CC2 ZINC001575625515 950685536 /nfs/dbraw/zinc/68/55/36/950685536.db2.gz RRRXQSLUJIDMBP-UHFFFAOYSA-N -1 1 382.472 1.934 20 0 GDADMM CC1(C)C2CCC1(C(=O)NCC1(Nc3cnc(-c4nn[n-]n4)cn3)CC1)CC2 ZINC001575625515 950685549 /nfs/dbraw/zinc/68/55/49/950685549.db2.gz RRRXQSLUJIDMBP-UHFFFAOYSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@H](CNC(=O)c1cc[nH]c(=O)c1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575005439 950685583 /nfs/dbraw/zinc/68/55/83/950685583.db2.gz FFBFVCMUWFNKFC-ZCFIWIBFSA-N -1 1 380.821 1.308 20 0 GDADMM C[C@H](CNC(=O)c1cc[nH]c(=O)c1)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575005439 950685596 /nfs/dbraw/zinc/68/55/96/950685596.db2.gz FFBFVCMUWFNKFC-ZCFIWIBFSA-N -1 1 380.821 1.308 20 0 GDADMM CC(C)CCC(=O)N1C[C@@]2(C)CN(c3cncc(-c4nnn[n-]4)n3)C[C@@]2(C)C1 ZINC001574176775 950688510 /nfs/dbraw/zinc/68/85/10/950688510.db2.gz ZDZVIUDYFZSSIO-KDURUIRLSA-N -1 1 384.488 1.768 20 0 GDADMM CC(C)CCC(=O)N1C[C@@]2(C)CN(c3cncc(-c4nn[n-]n4)n3)C[C@@]2(C)C1 ZINC001574176775 950688516 /nfs/dbraw/zinc/68/85/16/950688516.db2.gz ZDZVIUDYFZSSIO-KDURUIRLSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C)c1ccco1 ZINC001574520029 950706711 /nfs/dbraw/zinc/70/67/11/950706711.db2.gz ZXBLRCRZYJBJMI-XQQFMLRXSA-N -1 1 382.428 1.527 20 0 GDADMM C[C@@H](CC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C)c1ccco1 ZINC001574520029 950706728 /nfs/dbraw/zinc/70/67/28/950706728.db2.gz ZXBLRCRZYJBJMI-XQQFMLRXSA-N -1 1 382.428 1.527 20 0 GDADMM CC1(C)CC(C(=O)NCC2(Nc3cncc(-c4nnn[n-]4)n3)CCOCC2)C1 ZINC001575628462 950719465 /nfs/dbraw/zinc/71/94/65/950719465.db2.gz CXVWIAARTWYEMB-UHFFFAOYSA-N -1 1 386.460 1.170 20 0 GDADMM CC1(C)CC(C(=O)NCC2(Nc3cncc(-c4nn[n-]n4)n3)CCOCC2)C1 ZINC001575628462 950719484 /nfs/dbraw/zinc/71/94/84/950719484.db2.gz CXVWIAARTWYEMB-UHFFFAOYSA-N -1 1 386.460 1.170 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001573878628 950720628 /nfs/dbraw/zinc/72/06/28/950720628.db2.gz XGMXUIVKXBDJGP-XGFWRYKXSA-N -1 1 382.472 1.137 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001573878628 950720640 /nfs/dbraw/zinc/72/06/40/950720640.db2.gz XGMXUIVKXBDJGP-XGFWRYKXSA-N -1 1 382.472 1.137 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CC(C1CC1)C1CC1 ZINC001575927095 950735325 /nfs/dbraw/zinc/73/53/25/950735325.db2.gz NHYAJVOHQKCMOE-IAQYHMDHSA-N -1 1 382.472 1.884 20 0 GDADMM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CC(C1CC1)C1CC1 ZINC001575927095 950735335 /nfs/dbraw/zinc/73/53/35/950735335.db2.gz NHYAJVOHQKCMOE-IAQYHMDHSA-N -1 1 382.472 1.884 20 0 GDADMM CC(C)(C)c1ccc(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001573881378 950750937 /nfs/dbraw/zinc/75/09/37/950750937.db2.gz DHBMHYXIVFHEGL-HNNXBMFYSA-N -1 1 392.467 1.963 20 0 GDADMM CC(C)(C)c1ccc(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001573881378 950750952 /nfs/dbraw/zinc/75/09/52/950750952.db2.gz DHBMHYXIVFHEGL-HNNXBMFYSA-N -1 1 392.467 1.963 20 0 GDADMM CC(C)(C)c1ccc(C(=O)N2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC001573881748 950753999 /nfs/dbraw/zinc/75/39/99/950753999.db2.gz HAOSCSGLQQAIKL-UHFFFAOYSA-N -1 1 392.467 1.917 20 0 GDADMM CC(C)(C)c1ccc(C(=O)N2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)cc1 ZINC001573881748 950754019 /nfs/dbraw/zinc/75/40/19/950754019.db2.gz HAOSCSGLQQAIKL-UHFFFAOYSA-N -1 1 392.467 1.917 20 0 GDADMM CC(C)(C)c1ccc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001573882045 950762558 /nfs/dbraw/zinc/76/25/58/950762558.db2.gz PGUKJJVOVGMTSW-OAHLLOKOSA-N -1 1 392.467 1.963 20 0 GDADMM CC(C)(C)c1ccc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001573882045 950762574 /nfs/dbraw/zinc/76/25/74/950762574.db2.gz PGUKJJVOVGMTSW-OAHLLOKOSA-N -1 1 392.467 1.963 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ocnc1C(F)F ZINC001575930694 950794853 /nfs/dbraw/zinc/79/48/53/950794853.db2.gz GECCRKOZDMMOHD-SFYZADRCSA-N -1 1 391.342 1.297 20 0 GDADMM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ocnc1C(F)F ZINC001575930694 950794864 /nfs/dbraw/zinc/79/48/64/950794864.db2.gz GECCRKOZDMMOHD-SFYZADRCSA-N -1 1 391.342 1.297 20 0 GDADMM C[C@@H]1[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCN1C(=O)Cc1ccc[nH]1 ZINC001575931597 950809875 /nfs/dbraw/zinc/80/98/75/950809875.db2.gz IYWVPIIRNVOGLC-PSASIEDQSA-N -1 1 392.876 1.949 20 0 GDADMM CC(C)(C)c1nc(C(=O)NCC2(Nc3nccnc3-c3nnn[n-]3)CC2)co1 ZINC001573885039 950810907 /nfs/dbraw/zinc/81/09/07/950810907.db2.gz NDROTNSDFROTEJ-UHFFFAOYSA-N -1 1 383.416 1.317 20 0 GDADMM CC(C)(C)c1nc(C(=O)NCC2(Nc3nccnc3-c3nn[n-]n3)CC2)co1 ZINC001573885039 950810927 /nfs/dbraw/zinc/81/09/27/950810927.db2.gz NDROTNSDFROTEJ-UHFFFAOYSA-N -1 1 383.416 1.317 20 0 GDADMM C[C@@H](CN(C)C(=O)c1onc2c1CCCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001574766635 950824955 /nfs/dbraw/zinc/82/49/55/950824955.db2.gz JXWKQSDOLQGRRH-JTQLQIEISA-N -1 1 383.416 1.096 20 0 GDADMM C[C@@H](CN(C)C(=O)c1onc2c1CCCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001574766635 950824972 /nfs/dbraw/zinc/82/49/72/950824972.db2.gz JXWKQSDOLQGRRH-JTQLQIEISA-N -1 1 383.416 1.096 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)c2ccccc2)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576220110 950826672 /nfs/dbraw/zinc/82/66/72/950826672.db2.gz QKZDBJZRQFFADY-HIFRSBDPSA-N -1 1 392.467 1.893 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)c2ccccc2)C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576220110 950826693 /nfs/dbraw/zinc/82/66/93/950826693.db2.gz QKZDBJZRQFFADY-HIFRSBDPSA-N -1 1 392.467 1.893 20 0 GDADMM CC(C)CCCC(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574187063 950828827 /nfs/dbraw/zinc/82/88/27/950828827.db2.gz OCCMJFLZBLJTIO-GOSISDBHSA-N -1 1 388.476 1.248 20 0 GDADMM CC(C)CCCC(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574187063 950828861 /nfs/dbraw/zinc/82/88/61/950828861.db2.gz OCCMJFLZBLJTIO-GOSISDBHSA-N -1 1 388.476 1.248 20 0 GDADMM C[C@@H](CN(C)C(=O)c1n[nH]cc1F)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574767266 950841808 /nfs/dbraw/zinc/84/18/08/950841808.db2.gz OUUUAGLMRNYZBE-YFKPBYRVSA-N -1 1 385.816 1.411 20 0 GDADMM CC(C)CCCC(=O)N1CCCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574188216 950843455 /nfs/dbraw/zinc/84/34/55/950843455.db2.gz UJMONTDJCDILDA-CQSZACIVSA-N -1 1 388.476 1.512 20 0 GDADMM CC(C)CCCC(=O)N1CCCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574188216 950843470 /nfs/dbraw/zinc/84/34/70/950843470.db2.gz UJMONTDJCDILDA-CQSZACIVSA-N -1 1 388.476 1.512 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(C(N)=O)c(Cl)n2)n1 ZINC001573887456 950846238 /nfs/dbraw/zinc/84/62/38/950846238.db2.gz BRQDKCUBYPLECN-UHFFFAOYSA-N -1 1 389.807 1.218 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(C(N)=O)c(Cl)n2)n1 ZINC001573887456 950846264 /nfs/dbraw/zinc/84/62/64/950846264.db2.gz BRQDKCUBYPLECN-UHFFFAOYSA-N -1 1 389.807 1.218 20 0 GDADMM CC(C)c1ncsc1C(=O)N(C)C[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574767401 950848402 /nfs/dbraw/zinc/84/84/02/950848402.db2.gz NPWXXKXWVKCMDL-SNVBAGLBSA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)c1ncsc1C(=O)N(C)C[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574767401 950848420 /nfs/dbraw/zinc/84/84/20/950848420.db2.gz NPWXXKXWVKCMDL-SNVBAGLBSA-N -1 1 387.473 1.809 20 0 GDADMM CC(C)(C)n1cc(-c2nn[nH]n2)cc1NC(=O)N1CCC(c2nn[n-]n2)CC1 ZINC001573888184 950865151 /nfs/dbraw/zinc/86/51/51/950865151.db2.gz RGQKDZHKTQEJRH-UHFFFAOYSA-N -1 1 385.436 1.348 20 0 GDADMM CC1(C)C[C@H](NC(=O)CCC2CC2)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575639420 950870193 /nfs/dbraw/zinc/87/01/93/950870193.db2.gz BHJAFRAPJZAXDQ-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)c1ocnc1C1CC1 ZINC001575935574 950889826 /nfs/dbraw/zinc/88/98/26/950889826.db2.gz YERDCNORCBOAMJ-GXSJLCMTSA-N -1 1 381.400 1.237 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)c1ocnc1C1CC1 ZINC001575935574 950889841 /nfs/dbraw/zinc/88/98/41/950889841.db2.gz YERDCNORCBOAMJ-GXSJLCMTSA-N -1 1 381.400 1.237 20 0 GDADMM CC1(C)C[C@@H](NC(=O)c2ccon2)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575640511 950895363 /nfs/dbraw/zinc/89/53/63/950895363.db2.gz HXYFPPAWPYBXCT-NSHDSACASA-N -1 1 383.416 1.070 20 0 GDADMM CC1(C)C[C@@H](NC(=O)c2ccon2)CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575640511 950895373 /nfs/dbraw/zinc/89/53/73/950895373.db2.gz HXYFPPAWPYBXCT-NSHDSACASA-N -1 1 383.416 1.070 20 0 GDADMM C[C@@H]1CN(C(=O)C2CCC(F)(F)CC2)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576227313 950905979 /nfs/dbraw/zinc/90/59/79/950905979.db2.gz FTPQDBZFOPZMAC-MFKMUULPSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H]1CN(C(=O)C2CCC(F)(F)CC2)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576227313 950906005 /nfs/dbraw/zinc/90/60/05/950906005.db2.gz FTPQDBZFOPZMAC-MFKMUULPSA-N -1 1 392.414 1.741 20 0 GDADMM CC1(C)C[C@H](NC(=O)c2ccoc2)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575642010 950931026 /nfs/dbraw/zinc/93/10/26/950931026.db2.gz SNWFPIHHXVIRSR-CYBMUJFWSA-N -1 1 382.428 1.675 20 0 GDADMM CC1(C)C[C@H](NC(=O)c2ccoc2)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575642010 950931040 /nfs/dbraw/zinc/93/10/40/950931040.db2.gz SNWFPIHHXVIRSR-CYBMUJFWSA-N -1 1 382.428 1.675 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N1CC[C@@]2(C1)CCCN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001575642041 950932861 /nfs/dbraw/zinc/93/28/61/950932861.db2.gz DMBLWCCCLKHKKX-YJYMSZOUSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N1CC[C@@]2(C1)CCCN(c1ccc(-c3nn[n-]n3)nn1)C2 ZINC001575642041 950932876 /nfs/dbraw/zinc/93/28/76/950932876.db2.gz DMBLWCCCLKHKKX-YJYMSZOUSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H]1CN(C(=O)C2(CF)CCC2)CC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576228595 950949397 /nfs/dbraw/zinc/94/93/97/950949397.db2.gz HVYPXTLEQMAVDL-CHWSQXEVSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@@H]1CN(C(=O)C2(CF)CCC2)CC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576228595 950949421 /nfs/dbraw/zinc/94/94/21/950949421.db2.gz HVYPXTLEQMAVDL-CHWSQXEVSA-N -1 1 388.451 1.693 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)COC1CCCCC1 ZINC001575937721 950954566 /nfs/dbraw/zinc/95/45/66/950954566.db2.gz LKUXKOFRCVIUCW-OCCSQVGLSA-N -1 1 386.460 1.407 20 0 GDADMM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)COC1CCCCC1 ZINC001575937721 950954577 /nfs/dbraw/zinc/95/45/77/950954577.db2.gz LKUXKOFRCVIUCW-OCCSQVGLSA-N -1 1 386.460 1.407 20 0 GDADMM CC(C)(CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001573897322 950962013 /nfs/dbraw/zinc/96/20/13/950962013.db2.gz OJIYVJKUXZSWKK-HNNXBMFYSA-N -1 1 392.467 1.720 20 0 GDADMM CC(C)(CC(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)CC(F)F ZINC001573898042 950969136 /nfs/dbraw/zinc/96/91/36/950969136.db2.gz VIIBZWHWSVUAGZ-UHFFFAOYSA-N -1 1 380.403 1.377 20 0 GDADMM CC(C)(CC(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)CC(F)F ZINC001573898042 950969151 /nfs/dbraw/zinc/96/91/51/950969151.db2.gz VIIBZWHWSVUAGZ-UHFFFAOYSA-N -1 1 380.403 1.377 20 0 GDADMM CC1(C)C[C@H]1C(=O)N1CCC2(C1)CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001575643523 950972400 /nfs/dbraw/zinc/97/24/00/950972400.db2.gz MMZOKIGYBCCNMT-ZDUSSCGKSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)C[C@H]1C(=O)N1CCC2(C1)CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001575643523 950972413 /nfs/dbraw/zinc/97/24/13/950972413.db2.gz MMZOKIGYBCCNMT-ZDUSSCGKSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)CCCCCC2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576229541 950975218 /nfs/dbraw/zinc/97/52/18/950975218.db2.gz KEKCQMKJSXLOPZ-KGLIPLIRSA-N -1 1 384.488 1.698 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001573899520 950979702 /nfs/dbraw/zinc/97/97/02/950979702.db2.gz BOJJHRDFIYBASZ-KYZUINATSA-N -1 1 384.366 1.694 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001573899520 950979718 /nfs/dbraw/zinc/97/97/18/950979718.db2.gz BOJJHRDFIYBASZ-KYZUINATSA-N -1 1 384.366 1.694 20 0 GDADMM CC(C)CCCCC(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1 ZINC001574195595 950994269 /nfs/dbraw/zinc/99/42/69/950994269.db2.gz UIWHJHQPNSYANP-AWEZNQCLSA-N -1 1 388.476 1.195 20 0 GDADMM CC(C)CCCCC(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nn2)CCO1 ZINC001574195595 950994282 /nfs/dbraw/zinc/99/42/82/950994282.db2.gz UIWHJHQPNSYANP-AWEZNQCLSA-N -1 1 388.476 1.195 20 0 GDADMM CC1CC(C(=O)N(C)C[C@H](O)CNc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001575939064 950999946 /nfs/dbraw/zinc/99/99/46/950999946.db2.gz OTHPDHXTWHREAO-AMDVSUOASA-N -1 1 385.881 1.254 20 0 GDADMM CC1CC(C(=O)N(C)C[C@H](O)CNc2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001575939064 950999971 /nfs/dbraw/zinc/99/99/71/950999971.db2.gz OTHPDHXTWHREAO-AMDVSUOASA-N -1 1 385.881 1.254 20 0 GDADMM CC(C)(CC(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001573900387 951003626 /nfs/dbraw/zinc/00/36/26/951003626.db2.gz ZJRDULCCDKCCPU-SHTZXODSSA-N -1 1 392.467 1.506 20 0 GDADMM CCOC(=O)N1C[C@H](NCc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)[C@@H](CO)C1 ZINC001590873471 951006878 /nfs/dbraw/zinc/00/68/78/951006878.db2.gz NTGDNNHLGPUERL-LZWOXQAQSA-N -1 1 395.456 1.119 20 0 GDADMM C[C@@H](CNC(=O)c1ccc(C2CC2)cn1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575024290 951100357 /nfs/dbraw/zinc/10/03/57/951100357.db2.gz ZWWRJAABAQIGNE-NSHDSACASA-N -1 1 379.428 1.184 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCC=C2)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575024540 951106684 /nfs/dbraw/zinc/10/66/84/951106684.db2.gz GUYDKRLMBQSCKZ-ZDUSSCGKSA-N -1 1 390.451 1.871 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCC2)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575025162 951127739 /nfs/dbraw/zinc/12/77/39/951127739.db2.gz WGSIIRBKOFTLKH-LBPRGKRZSA-N -1 1 378.440 1.400 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCC2)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575025162 951127748 /nfs/dbraw/zinc/12/77/48/951127748.db2.gz WGSIIRBKOFTLKH-LBPRGKRZSA-N -1 1 378.440 1.400 20 0 GDADMM C[C@@H](CNC(=O)c1ccc2c(c1)CCC2)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575025369 951130587 /nfs/dbraw/zinc/13/05/87/951130587.db2.gz YNIFPTZSTDFISH-GFCCVEGCSA-N -1 1 378.440 1.045 20 0 GDADMM C[C@H](CNC(=O)c1cccc(C(F)F)c1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575025832 951133005 /nfs/dbraw/zinc/13/30/05/951133005.db2.gz BQYOAUUZPPEYRA-JTQLQIEISA-N -1 1 388.382 1.494 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2c1CCCC2)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575028642 951177237 /nfs/dbraw/zinc/17/72/37/951177237.db2.gz PENJQJCIIQZKDV-ZDUSSCGKSA-N -1 1 392.467 1.790 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2c1CCCC2)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575028642 951177246 /nfs/dbraw/zinc/17/72/46/951177246.db2.gz PENJQJCIIQZKDV-ZDUSSCGKSA-N -1 1 392.467 1.790 20 0 GDADMM C[C@@H](CNC(=O)c1cccc2c1CCCC2)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575028562 951177480 /nfs/dbraw/zinc/17/74/80/951177480.db2.gz OFQKCADUZWIRBG-ZDUSSCGKSA-N -1 1 392.467 1.790 20 0 GDADMM CC(C)Oc1ncccc1C(=O)NC[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575031508 951195890 /nfs/dbraw/zinc/19/58/90/951195890.db2.gz BUIBYRLRYLLLQS-LLVKDONJSA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1ncccc1C(=O)NC[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575031508 951195894 /nfs/dbraw/zinc/19/58/94/951195894.db2.gz BUIBYRLRYLLLQS-LLVKDONJSA-N -1 1 383.416 1.069 20 0 GDADMM C[C@H](CNC(=O)c1cccn1C)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575032203 951218138 /nfs/dbraw/zinc/21/81/38/951218138.db2.gz UARMGXOMXAOYTQ-MRVPVSSYSA-N -1 1 380.865 1.793 20 0 GDADMM O=C([O-])[C@@H]1CN(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)Cc2ccccc21 ZINC000386036829 951289867 /nfs/dbraw/zinc/28/98/67/951289867.db2.gz CWLDLERPUVNVMO-RDTXWAMCSA-N -1 1 380.400 1.328 20 0 GDADMM C[C@H](CNC(=O)c1cn(C)cn1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575042961 951376969 /nfs/dbraw/zinc/37/69/69/951376969.db2.gz NLZFOQJVHMGSRX-SSDOTTSWSA-N -1 1 381.853 1.188 20 0 GDADMM C[C@H](CNC(=O)c1cnns1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575053849 951487614 /nfs/dbraw/zinc/48/76/14/951487614.db2.gz FYQTUFBSIPOVEQ-RXMQYKEDSA-N -1 1 385.866 1.306 20 0 GDADMM CC(C)c1nc(C(=O)NC[C@@H](C)CNc2nccnc2-c2nnn[n-]2)cs1 ZINC001575058118 951534914 /nfs/dbraw/zinc/53/49/14/951534914.db2.gz UWUGSIRMUQPVGH-JTQLQIEISA-N -1 1 387.473 1.715 20 0 GDADMM CC(C)c1nc(C(=O)NC[C@@H](C)CNc2nccnc2-c2nn[n-]n2)cs1 ZINC001575058118 951534922 /nfs/dbraw/zinc/53/49/22/951534922.db2.gz UWUGSIRMUQPVGH-JTQLQIEISA-N -1 1 387.473 1.715 20 0 GDADMM C[C@@H](CNC(=O)c1csnn1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575061621 951558645 /nfs/dbraw/zinc/55/86/45/951558645.db2.gz OOYNBDIBTHCODD-YFKPBYRVSA-N -1 1 385.866 1.306 20 0 GDADMM C[C@@H](CNC(=O)c1csnn1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575061621 951558653 /nfs/dbraw/zinc/55/86/53/951558653.db2.gz OOYNBDIBTHCODD-YFKPBYRVSA-N -1 1 385.866 1.306 20 0 GDADMM C[C@@H](CNC(=O)c1scnc1C1CC1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575068602 951635871 /nfs/dbraw/zinc/63/58/71/951635871.db2.gz BWXHWLARALVILO-SECBINFHSA-N -1 1 385.457 1.469 20 0 GDADMM C[C@@H](CNC(=O)c1scnc1C1CC1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575068602 951635872 /nfs/dbraw/zinc/63/58/72/951635872.db2.gz BWXHWLARALVILO-SECBINFHSA-N -1 1 385.457 1.469 20 0 GDADMM CC(C)c1nnsc1C(=O)NC[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001575071219 951657692 /nfs/dbraw/zinc/65/76/92/951657692.db2.gz YMOIXOBGCJJANG-VIFPVBQESA-N -1 1 388.461 1.110 20 0 GDADMM CC(C)c1nnsc1C(=O)NC[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001575071219 951657698 /nfs/dbraw/zinc/65/76/98/951657698.db2.gz YMOIXOBGCJJANG-VIFPVBQESA-N -1 1 388.461 1.110 20 0 GDADMM O=C([O-])CS(=O)(=O)CCN[C@H]1CCCc2c1cnn2Cc1ccccc1 ZINC001595123804 951990988 /nfs/dbraw/zinc/99/09/88/951990988.db2.gz DBFMHBDOQLYZQR-INIZCTEOSA-N -1 1 377.466 1.398 20 0 GDADMM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)C[C@@H]1C[C@H]1C1CC1)C1CC1 ZINC001575128593 952068870 /nfs/dbraw/zinc/06/88/70/952068870.db2.gz JPZVAQNPEMVGAL-PTAUBWNISA-N -1 1 382.472 1.790 20 0 GDADMM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)C[C@@H]1C[C@H]1C1CC1)C1CC1 ZINC001575128593 952068883 /nfs/dbraw/zinc/06/88/83/952068883.db2.gz JPZVAQNPEMVGAL-PTAUBWNISA-N -1 1 382.472 1.790 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)Cc1ccc(Cl)s1 ZINC001575131706 952086833 /nfs/dbraw/zinc/08/68/33/952086833.db2.gz AKZGUNDEXCLOEZ-VIFPVBQESA-N -1 1 392.876 1.873 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)Cc1ccc(Cl)s1 ZINC001575131706 952086839 /nfs/dbraw/zinc/08/68/39/952086839.db2.gz AKZGUNDEXCLOEZ-VIFPVBQESA-N -1 1 392.876 1.873 20 0 GDADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)C[C@@H]1CCCOC1)C1CC1 ZINC001575129688 952086996 /nfs/dbraw/zinc/08/69/96/952086996.db2.gz YVMJUYBWEDCHNW-SGTLLEGYSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)C[C@@H]1CCCOC1)C1CC1 ZINC001575129688 952087003 /nfs/dbraw/zinc/08/70/03/952087003.db2.gz YVMJUYBWEDCHNW-SGTLLEGYSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)CCCc1cccs1 ZINC001575132622 952096932 /nfs/dbraw/zinc/09/69/32/952096932.db2.gz HMZDJYVFSAJMER-GFCCVEGCSA-N -1 1 386.485 2.000 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)CCCc1cccs1 ZINC001575132622 952096941 /nfs/dbraw/zinc/09/69/41/952096941.db2.gz HMZDJYVFSAJMER-GFCCVEGCSA-N -1 1 386.485 2.000 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001575132914 952100657 /nfs/dbraw/zinc/10/06/57/952100657.db2.gz IJEWSZKUBZDEBR-CFVMTHIKSA-N -1 1 378.440 1.719 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001575132914 952100662 /nfs/dbraw/zinc/10/06/62/952100662.db2.gz IJEWSZKUBZDEBR-CFVMTHIKSA-N -1 1 378.440 1.719 20 0 GDADMM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)CC1=CCCCC1)C1CC1 ZINC001575133820 952107874 /nfs/dbraw/zinc/10/78/74/952107874.db2.gz GVNPOXGOEHQNAQ-IBGZPJMESA-N -1 1 382.472 1.666 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)CCOc1ccccc1 ZINC001575135812 952120746 /nfs/dbraw/zinc/12/07/46/952120746.db2.gz RXZMYAVLIAKZSU-CYBMUJFWSA-N -1 1 382.428 1.385 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)CCOc1ccccc1 ZINC001575135812 952120751 /nfs/dbraw/zinc/12/07/51/952120751.db2.gz RXZMYAVLIAKZSU-CYBMUJFWSA-N -1 1 382.428 1.385 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)C[C@@H]1CCC(C)(C)CO1 ZINC001575136516 952126561 /nfs/dbraw/zinc/12/65/61/952126561.db2.gz VZBYVQZPZNEYHM-STQMWFEESA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)C[C@@H]1CCC(C)(C)CO1 ZINC001575136516 952126565 /nfs/dbraw/zinc/12/65/65/952126565.db2.gz VZBYVQZPZNEYHM-STQMWFEESA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)c1sccc1F)C1CC1 ZINC001575136777 952127995 /nfs/dbraw/zinc/12/79/95/952127995.db2.gz WRGBTUOWGBPYBZ-INIZCTEOSA-N -1 1 388.432 1.868 20 0 GDADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)c1sccc1F)C1CC1 ZINC001575136777 952127999 /nfs/dbraw/zinc/12/79/99/952127999.db2.gz WRGBTUOWGBPYBZ-INIZCTEOSA-N -1 1 388.432 1.868 20 0 GDADMM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cccc2cccnc21 ZINC001575136831 952128868 /nfs/dbraw/zinc/12/88/68/952128868.db2.gz XNHULCXCWNVDAO-LBPRGKRZSA-N -1 1 389.423 1.778 20 0 GDADMM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cccc2cccnc21 ZINC001575136831 952128873 /nfs/dbraw/zinc/12/88/73/952128873.db2.gz XNHULCXCWNVDAO-LBPRGKRZSA-N -1 1 389.423 1.778 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)CCCc1ccsc1 ZINC001575142822 952149203 /nfs/dbraw/zinc/14/92/03/952149203.db2.gz MHDOHQBJHCULTK-LBPRGKRZSA-N -1 1 386.485 1.422 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C(C)(C)CC(F)(F)F ZINC001575143098 952149823 /nfs/dbraw/zinc/14/98/23/952149823.db2.gz MZGRGYBKKOAFCN-SECBINFHSA-N -1 1 386.382 1.316 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@H](c1ccccc1)C1CC1 ZINC001575144371 952165797 /nfs/dbraw/zinc/16/57/97/952165797.db2.gz VBZZQPCVBTUTQV-CXAGYDPISA-N -1 1 392.467 1.531 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)[C@@H]1CCCC(F)(F)C1 ZINC001575144726 952170865 /nfs/dbraw/zinc/17/08/65/952170865.db2.gz XPCSYRLHHYEBPW-WDEREUQCSA-N -1 1 380.403 1.163 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)C1(c2ccccn2)CC1 ZINC001575153299 952208691 /nfs/dbraw/zinc/20/86/91/952208691.db2.gz FYVMCKVNWFSASI-GFCCVEGCSA-N -1 1 379.428 1.042 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)C1(c2ccccn2)CC1 ZINC001575153299 952208695 /nfs/dbraw/zinc/20/86/95/952208695.db2.gz FYVMCKVNWFSASI-GFCCVEGCSA-N -1 1 379.428 1.042 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H]1CCc2cccnc21 ZINC001575154001 952215518 /nfs/dbraw/zinc/21/55/18/952215518.db2.gz NFBHSTATHCUWJZ-YPMHNXCESA-N -1 1 379.428 1.041 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H]1CCc2cccnc21 ZINC001575154001 952215526 /nfs/dbraw/zinc/21/55/26/952215526.db2.gz NFBHSTATHCUWJZ-YPMHNXCESA-N -1 1 379.428 1.041 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)C1(c2ccccc2)CC1 ZINC001575154481 952224382 /nfs/dbraw/zinc/22/43/82/952224382.db2.gz DZYNOXKWKQJCNR-ZDUSSCGKSA-N -1 1 378.440 1.647 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)C1(c2ccccc2)CC1 ZINC001575154481 952224385 /nfs/dbraw/zinc/22/43/85/952224385.db2.gz DZYNOXKWKQJCNR-ZDUSSCGKSA-N -1 1 378.440 1.647 20 0 GDADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)CCC(F)(F)F)C1CC1 ZINC001575155059 952234446 /nfs/dbraw/zinc/23/44/46/952234446.db2.gz JXBVGLCWEZVMAQ-CQSZACIVSA-N -1 1 384.366 1.696 20 0 GDADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)CCC(F)(F)F)C1CC1 ZINC001575155059 952234451 /nfs/dbraw/zinc/23/44/51/952234451.db2.gz JXBVGLCWEZVMAQ-CQSZACIVSA-N -1 1 384.366 1.696 20 0 GDADMM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)C1C=CC=CC=C1)C1CC1 ZINC001575155531 952240366 /nfs/dbraw/zinc/24/03/66/952240366.db2.gz MMZXJDKFGIXCOP-IBGZPJMESA-N -1 1 378.440 1.652 20 0 GDADMM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)C1C=CC=CC=C1)C1CC1 ZINC001575155531 952240372 /nfs/dbraw/zinc/24/03/72/952240372.db2.gz MMZXJDKFGIXCOP-IBGZPJMESA-N -1 1 378.440 1.652 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ccc2c(c1)CCO2 ZINC001575155818 952245711 /nfs/dbraw/zinc/24/57/11/952245711.db2.gz PHICSAYCRYYXMM-NSHDSACASA-N -1 1 380.412 1.164 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ccc2c(c1)CCO2 ZINC001575155818 952245718 /nfs/dbraw/zinc/24/57/18/952245718.db2.gz PHICSAYCRYYXMM-NSHDSACASA-N -1 1 380.412 1.164 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1ccc2cnccc2n1 ZINC001575157378 952264172 /nfs/dbraw/zinc/26/41/72/952264172.db2.gz MCFNFEZKOGBJLG-LLVKDONJSA-N -1 1 390.411 1.173 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccc2cnccc2n1 ZINC001575157378 952264185 /nfs/dbraw/zinc/26/41/85/952264185.db2.gz MCFNFEZKOGBJLG-LLVKDONJSA-N -1 1 390.411 1.173 20 0 GDADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)C[C@@H]1CCOC1 ZINC001575164087 952286565 /nfs/dbraw/zinc/28/65/65/952286565.db2.gz BJRGEOIEOIBXOZ-BDAKNGLRSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)c1ccn(C)n1 ZINC001575164319 952291778 /nfs/dbraw/zinc/29/17/78/952291778.db2.gz CYRKWANMRXRNID-ZETCQYMHSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)c1ccn(C)n1 ZINC001575164319 952291782 /nfs/dbraw/zinc/29/17/82/952291782.db2.gz CYRKWANMRXRNID-ZETCQYMHSA-N -1 1 381.853 1.283 20 0 GDADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001575164546 952295247 /nfs/dbraw/zinc/29/52/47/952295247.db2.gz FJXUSDKXBDYIQW-RBXMUDONSA-N -1 1 383.865 1.128 20 0 GDADMM C[C@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)c1cnsn1 ZINC001575166498 952326693 /nfs/dbraw/zinc/32/66/93/952326693.db2.gz WVUZYTNMSQNKSH-RXMQYKEDSA-N -1 1 385.866 1.401 20 0 GDADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)[C@H]1CC12CCCC2)C1CC1 ZINC001575174029 952362013 /nfs/dbraw/zinc/36/20/13/952362013.db2.gz FNEGYLJGGVJCJW-FZKQIMNGSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)[C@H]1CC12CCCC2)C1CC1 ZINC001575174029 952362020 /nfs/dbraw/zinc/36/20/20/952362020.db2.gz FNEGYLJGGVJCJW-FZKQIMNGSA-N -1 1 382.472 1.934 20 0 GDADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)C=Cc1ccc[nH]1)C1CC1 ZINC001575174329 952369219 /nfs/dbraw/zinc/36/92/19/952369219.db2.gz MICIQOOXTLYHEZ-HPFMTEOYSA-N -1 1 379.428 1.395 20 0 GDADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)C=Cc1ccc[nH]1)C1CC1 ZINC001575174329 952369229 /nfs/dbraw/zinc/36/92/29/952369229.db2.gz MICIQOOXTLYHEZ-HPFMTEOYSA-N -1 1 379.428 1.395 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1ccsc1Cl ZINC001575174657 952376976 /nfs/dbraw/zinc/37/69/76/952376976.db2.gz BRSDNAVKXJXJTA-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1ccsc1Cl ZINC001575174657 952376983 /nfs/dbraw/zinc/37/69/83/952376983.db2.gz BRSDNAVKXJXJTA-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)C1CCOCC1 ZINC001575178856 952409474 /nfs/dbraw/zinc/40/94/74/952409474.db2.gz OGRUWLAEYCFHFY-QMMMGPOBSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)C1CCOCC1 ZINC001575178856 952409478 /nfs/dbraw/zinc/40/94/78/952409478.db2.gz OGRUWLAEYCFHFY-QMMMGPOBSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)c1cc(Cl)cn1C ZINC001575179518 952411604 /nfs/dbraw/zinc/41/16/04/952411604.db2.gz PXCBFYBUFCUSEK-VIFPVBQESA-N -1 1 375.824 1.221 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cc(Cl)cn1C ZINC001575179518 952411607 /nfs/dbraw/zinc/41/16/07/952411607.db2.gz PXCBFYBUFCUSEK-VIFPVBQESA-N -1 1 375.824 1.221 20 0 GDADMM C[C@H](Cc1ccc(F)cc1)C(=O)N[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575188447 952447962 /nfs/dbraw/zinc/44/79/62/952447962.db2.gz IJPHOZXFGXTBLD-NEPJUHHUSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@H](Cc1ccc(F)cc1)C(=O)N[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575188447 952447965 /nfs/dbraw/zinc/44/79/65/952447965.db2.gz IJPHOZXFGXTBLD-NEPJUHHUSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575189343 952455545 /nfs/dbraw/zinc/45/55/45/952455545.db2.gz NMYHEESSZHFQES-OLZOCXBDSA-N -1 1 382.428 1.166 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)N(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575189343 952455554 /nfs/dbraw/zinc/45/55/54/952455554.db2.gz NMYHEESSZHFQES-OLZOCXBDSA-N -1 1 382.428 1.166 20 0 GDADMM O=C(Cn1ccc(-c2nn[n-]n2)cc1=O)Nc1ccc(Br)cc1 ZINC001571114680 952459293 /nfs/dbraw/zinc/45/92/93/952459293.db2.gz LMHUZTLZRLUVOJ-UHFFFAOYSA-N -1 1 375.186 1.430 20 0 GDADMM O=C(NCCc1c(F)cc([O-])cc1F)NCc1ccc(-c2nn[nH]n2)cn1 ZINC001571115013 952462761 /nfs/dbraw/zinc/46/27/61/952462761.db2.gz PUIPTGWYGCASEC-UHFFFAOYSA-N -1 1 375.339 1.287 20 0 GDADMM COc1ncc(NC(=O)N[C@@H]2CCCCC23OCCO3)cc1-c1nn[n-]n1 ZINC001571115479 952466300 /nfs/dbraw/zinc/46/63/00/952466300.db2.gz WMGUDGCRLCVDDF-GFCCVEGCSA-N -1 1 375.389 1.078 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575191166 952467385 /nfs/dbraw/zinc/46/73/85/952467385.db2.gz XMBJSLRWBSRVDR-QWHCGFSZSA-N -1 1 382.428 1.166 20 0 GDADMM CO[C@H](C)c1nc(CNC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)cs1 ZINC001571117365 952481861 /nfs/dbraw/zinc/48/18/61/952481861.db2.gz KFYAJOAGJPCOPU-MRVPVSSYSA-N -1 1 375.414 1.370 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575197427 952484699 /nfs/dbraw/zinc/48/46/99/952484699.db2.gz VQPGNFJIABZBFG-CHWSQXEVSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575197427 952484701 /nfs/dbraw/zinc/48/47/01/952484701.db2.gz VQPGNFJIABZBFG-CHWSQXEVSA-N -1 1 382.428 1.214 20 0 GDADMM CCc1ncsc1C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571117792 952484726 /nfs/dbraw/zinc/48/47/26/952484726.db2.gz QSBFHLGLEAYQFN-UHFFFAOYSA-N -1 1 375.483 1.561 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575197433 952484940 /nfs/dbraw/zinc/48/49/40/952484940.db2.gz VTCVKGGDXRRVOU-QWHCGFSZSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575197433 952484942 /nfs/dbraw/zinc/48/49/42/952484942.db2.gz VTCVKGGDXRRVOU-QWHCGFSZSA-N -1 1 382.428 1.531 20 0 GDADMM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1cccc2c1CCC2 ZINC001571119370 952491555 /nfs/dbraw/zinc/49/15/55/952491555.db2.gz AGZHKEWGHSPOHH-ZDUSSCGKSA-N -1 1 376.424 1.154 20 0 GDADMM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1cccc2c1CCC2 ZINC001571119370 952491560 /nfs/dbraw/zinc/49/15/60/952491560.db2.gz AGZHKEWGHSPOHH-ZDUSSCGKSA-N -1 1 376.424 1.154 20 0 GDADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@@H](CC(C)C)C(=O)OC(C)C ZINC001571119841 952495499 /nfs/dbraw/zinc/49/54/99/952495499.db2.gz GLQLRRJIUOKSPM-LBPRGKRZSA-N -1 1 376.417 1.372 20 0 GDADMM CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001571121135 952515951 /nfs/dbraw/zinc/51/59/51/952515951.db2.gz WYBFDRQJAFFMPE-VXGBXAGGSA-N -1 1 376.421 1.011 20 0 GDADMM CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001571121135 952515958 /nfs/dbraw/zinc/51/59/58/952515958.db2.gz WYBFDRQJAFFMPE-VXGBXAGGSA-N -1 1 376.421 1.011 20 0 GDADMM CS[C@@H](C)C(=O)N1CCCCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571122350 952524696 /nfs/dbraw/zinc/52/46/96/952524696.db2.gz IUWRHLIQOTWEBT-RYUDHWBXSA-N -1 1 376.490 1.591 20 0 GDADMM CS[C@@H](C)C(=O)N1CCCCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571122350 952524701 /nfs/dbraw/zinc/52/47/01/952524701.db2.gz IUWRHLIQOTWEBT-RYUDHWBXSA-N -1 1 376.490 1.591 20 0 GDADMM O=S(=O)(N[C@H]1CCc2ccc(Cl)cc21)c1cccnc1-c1nn[n-]n1 ZINC001571122761 952526515 /nfs/dbraw/zinc/52/65/15/952526515.db2.gz KAUAQWBXXCMECX-LBPRGKRZSA-N -1 1 376.829 1.881 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1csc(Cl)c1 ZINC001571122787 952526659 /nfs/dbraw/zinc/52/66/59/952526659.db2.gz LEPRLMNCIHKUHU-DTORHVGOSA-N -1 1 376.833 1.745 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1csc(Cl)c1 ZINC001571122787 952526666 /nfs/dbraw/zinc/52/66/66/952526666.db2.gz LEPRLMNCIHKUHU-DTORHVGOSA-N -1 1 376.833 1.745 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575214967 952566815 /nfs/dbraw/zinc/56/68/15/952566815.db2.gz QMXVPUMNDOSMBB-JTQLQIEISA-N -1 1 380.403 1.423 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575214967 952566819 /nfs/dbraw/zinc/56/68/19/952566819.db2.gz QMXVPUMNDOSMBB-JTQLQIEISA-N -1 1 380.403 1.423 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001575214714 952566931 /nfs/dbraw/zinc/56/69/31/952566931.db2.gz OMFAFEQQHHZFBP-MGCOHNPYSA-N -1 1 380.403 1.645 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001575214714 952566937 /nfs/dbraw/zinc/56/69/37/952566937.db2.gz OMFAFEQQHHZFBP-MGCOHNPYSA-N -1 1 380.403 1.645 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575215056 952567739 /nfs/dbraw/zinc/56/77/39/952567739.db2.gz SHJAMPATCJIYBS-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM CC(F)(F)C(C)(C)C(=O)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575215056 952567742 /nfs/dbraw/zinc/56/77/42/952567742.db2.gz SHJAMPATCJIYBS-JTQLQIEISA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571130158 952578981 /nfs/dbraw/zinc/57/89/81/952578981.db2.gz OWABFYDPMVHHFM-MWLCHTKSSA-N -1 1 378.387 1.351 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571130158 952578984 /nfs/dbraw/zinc/57/89/84/952578984.db2.gz OWABFYDPMVHHFM-MWLCHTKSSA-N -1 1 378.387 1.351 20 0 GDADMM CC1(C)CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1NC(=O)C1CC(F)(F)C1 ZINC001571130223 952579747 /nfs/dbraw/zinc/57/97/47/952579747.db2.gz QARSZWUJRSXWIC-SNVBAGLBSA-N -1 1 378.387 1.033 20 0 GDADMM C[C@@H](C(=O)N(C)C1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccccc1 ZINC001571134194 952587122 /nfs/dbraw/zinc/58/71/22/952587122.db2.gz BTRCAMBFYAUJOG-LRVUVFPRSA-N -1 1 378.440 1.862 20 0 GDADMM C[C@@H](C(=O)N(C)C1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccccc1 ZINC001571134194 952587126 /nfs/dbraw/zinc/58/71/26/952587126.db2.gz BTRCAMBFYAUJOG-LRVUVFPRSA-N -1 1 378.440 1.862 20 0 GDADMM Cc1cccc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)[C@H](C)C2)c1 ZINC001571134197 952587347 /nfs/dbraw/zinc/58/73/47/952587347.db2.gz GCBNRAUUXAODHB-UKRRQHHQSA-N -1 1 378.440 1.752 20 0 GDADMM Cc1cccc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)[C@H](C)C2)c1 ZINC001571134197 952587350 /nfs/dbraw/zinc/58/73/50/952587350.db2.gz GCBNRAUUXAODHB-UKRRQHHQSA-N -1 1 378.440 1.752 20 0 GDADMM Cc1cccc(CC(=O)N[C@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)c1 ZINC001571134217 952587672 /nfs/dbraw/zinc/58/76/72/952587672.db2.gz GMEZXCAUQQHKNN-HNNXBMFYSA-N -1 1 378.440 1.211 20 0 GDADMM Cc1cccc(CC(=O)N[C@H]2CCN(c3nc(C)cc(-c4nn[n-]n4)n3)C2)c1 ZINC001571134217 952587674 /nfs/dbraw/zinc/58/76/74/952587674.db2.gz GMEZXCAUQQHKNN-HNNXBMFYSA-N -1 1 378.440 1.211 20 0 GDADMM Cc1ccccc1CCC(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571134479 952590495 /nfs/dbraw/zinc/59/04/95/952590495.db2.gz ISSHRDCZXCRXMB-UHFFFAOYSA-N -1 1 378.440 1.247 20 0 GDADMM Cc1ccccc1CCC(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571134479 952590497 /nfs/dbraw/zinc/59/04/97/952590497.db2.gz ISSHRDCZXCRXMB-UHFFFAOYSA-N -1 1 378.440 1.247 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@H]2C)c1C ZINC001571134486 952590946 /nfs/dbraw/zinc/59/09/46/952590946.db2.gz IWNSSHQQOGVYGX-HIFRSBDPSA-N -1 1 378.440 1.989 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@H]2C)c1C ZINC001571134486 952590949 /nfs/dbraw/zinc/59/09/49/952590949.db2.gz IWNSSHQQOGVYGX-HIFRSBDPSA-N -1 1 378.440 1.989 20 0 GDADMM Cc1cccc(C(=O)N2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C[C@H]2C)c1C ZINC001571134841 952596023 /nfs/dbraw/zinc/59/60/23/952596023.db2.gz OHNYAOBBKSFHQW-OCCSQVGLSA-N -1 1 378.440 1.989 20 0 GDADMM Cc1cccc(C(=O)N2C[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C[C@H]2C)c1C ZINC001571134841 952596027 /nfs/dbraw/zinc/59/60/27/952596027.db2.gz OHNYAOBBKSFHQW-OCCSQVGLSA-N -1 1 378.440 1.989 20 0 GDADMM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001571135567 952605596 /nfs/dbraw/zinc/60/55/96/952605596.db2.gz XAGGLSRHWKCBLP-ZFWWWQNUSA-N -1 1 378.440 1.431 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC001571141956 952638291 /nfs/dbraw/zinc/63/82/91/952638291.db2.gz LRTTWJANWNEBOA-UHFFFAOYSA-N -1 1 378.849 1.576 20 0 GDADMM Cc1cc[nH]c1C(=O)N1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC001571141956 952638295 /nfs/dbraw/zinc/63/82/95/952638295.db2.gz LRTTWJANWNEBOA-UHFFFAOYSA-N -1 1 378.849 1.576 20 0 GDADMM O=C(Nc1nc(Cl)c(-c2nn[n-]n2)s1)c1ccn(CC(F)(F)F)n1 ZINC001571142491 952643316 /nfs/dbraw/zinc/64/33/16/952643316.db2.gz RUIDUVLDCCULJH-UHFFFAOYSA-N -1 1 378.727 1.988 20 0 GDADMM O=C(N[C@H]1CCCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1)c1ccccn1 ZINC001571146531 952648748 /nfs/dbraw/zinc/64/87/48/952648748.db2.gz HUFMOPOXEYXWSK-STQMWFEESA-N -1 1 379.428 1.452 20 0 GDADMM O=C(N[C@H]1CCCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1)c1ccccn1 ZINC001571146531 952648752 /nfs/dbraw/zinc/64/87/52/952648752.db2.gz HUFMOPOXEYXWSK-STQMWFEESA-N -1 1 379.428 1.452 20 0 GDADMM Cn1ccc(C(=O)NC2CC3(C2)CC(Nc2cnc(-c4nnn[n-]4)cn2)C3)c1 ZINC001571147086 952656612 /nfs/dbraw/zinc/65/66/12/952656612.db2.gz SOUFMWBCRJJRNI-UHFFFAOYSA-N -1 1 379.428 1.148 20 0 GDADMM Cn1ccc(C(=O)NC2CC3(C2)CC(Nc2cnc(-c4nn[n-]n4)cn2)C3)c1 ZINC001571147086 952656617 /nfs/dbraw/zinc/65/66/17/952656617.db2.gz SOUFMWBCRJJRNI-UHFFFAOYSA-N -1 1 379.428 1.148 20 0 GDADMM Cc1nc(C(=O)N2CC[C@@H](Nc3nc(-c4nn[n-]n4)c(Cl)s3)C2)c[nH]1 ZINC001571153580 952685919 /nfs/dbraw/zinc/68/59/19/952685919.db2.gz QYZSNFXBCRABKH-SSDOTTSWSA-N -1 1 379.837 1.335 20 0 GDADMM C[C@H]1C[C@H](C(=O)Nc2c(-c3nn[n-]n3)nnn2Cc2ccccc2)CCC1=O ZINC001571154844 952690414 /nfs/dbraw/zinc/69/04/14/952690414.db2.gz CHWHCDWAEHPRLC-WCQYABFASA-N -1 1 380.412 1.450 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C(F)F)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571155051 952691232 /nfs/dbraw/zinc/69/12/32/952691232.db2.gz FQIRQANQGHRRMC-VHSXEESVSA-N -1 1 380.403 1.454 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C(F)F)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571155051 952691233 /nfs/dbraw/zinc/69/12/33/952691233.db2.gz FQIRQANQGHRRMC-VHSXEESVSA-N -1 1 380.403 1.454 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCCCN2C(=O)CC(C)(F)F)n1 ZINC001571155134 952692651 /nfs/dbraw/zinc/69/26/51/952692651.db2.gz IRYKYQHQSOEFFA-NSHDSACASA-N -1 1 380.403 1.803 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCCCN2C(=O)CC(C)(F)F)n1 ZINC001571155134 952692655 /nfs/dbraw/zinc/69/26/55/952692655.db2.gz IRYKYQHQSOEFFA-NSHDSACASA-N -1 1 380.403 1.803 20 0 GDADMM C[C@H]1CC[C@@H](NC(=O)c2ccccc2O)CN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571155498 952697562 /nfs/dbraw/zinc/69/75/62/952697562.db2.gz UPMBXBSGUNYPLK-NWDGAFQWSA-N -1 1 380.412 1.150 20 0 GDADMM Cc1ccncc1CC(=O)N1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001571156002 952699563 /nfs/dbraw/zinc/69/95/63/952699563.db2.gz ANHDHRRZXNMNTD-OCCSQVGLSA-N -1 1 379.428 1.004 20 0 GDADMM Cc1ccncc1CC(=O)N1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001571156002 952699568 /nfs/dbraw/zinc/69/95/68/952699568.db2.gz ANHDHRRZXNMNTD-OCCSQVGLSA-N -1 1 379.428 1.004 20 0 GDADMM Cc1cncc(C(=O)NCC2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)c1 ZINC001571156520 952702722 /nfs/dbraw/zinc/70/27/22/952702722.db2.gz CNCAZTMBWNPUOE-UHFFFAOYSA-N -1 1 379.428 1.007 20 0 GDADMM Cc1cncc(C(=O)NCC2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)c1 ZINC001571156520 952702727 /nfs/dbraw/zinc/70/27/27/952702727.db2.gz CNCAZTMBWNPUOE-UHFFFAOYSA-N -1 1 379.428 1.007 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CN(C(=O)c3ncccc3C)C[C@@H]2C)n1 ZINC001571156652 952703442 /nfs/dbraw/zinc/70/34/42/952703442.db2.gz GDDYASRWUJTWMD-SMDDNHRTSA-N -1 1 379.428 1.241 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CN(C(=O)c3ncccc3C)C[C@@H]2C)n1 ZINC001571156652 952703445 /nfs/dbraw/zinc/70/34/45/952703445.db2.gz GDDYASRWUJTWMD-SMDDNHRTSA-N -1 1 379.428 1.241 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)[C@@H]2C)n1 ZINC001571157224 952707294 /nfs/dbraw/zinc/70/72/94/952707294.db2.gz NMWMNTRPZDZTRV-STQMWFEESA-N -1 1 379.428 1.384 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)[C@@H]2C)n1 ZINC001571157224 952707301 /nfs/dbraw/zinc/70/73/01/952707301.db2.gz NMWMNTRPZDZTRV-STQMWFEESA-N -1 1 379.428 1.384 20 0 GDADMM Cc1cnc(C(=O)N2CCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)c(C)c1 ZINC001571159741 952721647 /nfs/dbraw/zinc/72/16/47/952721647.db2.gz WFQIHHDBBLBCCK-CYBMUJFWSA-N -1 1 379.428 1.385 20 0 GDADMM Cc1cnc(C(=O)N2CCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)c(C)c1 ZINC001571159741 952721651 /nfs/dbraw/zinc/72/16/51/952721651.db2.gz WFQIHHDBBLBCCK-CYBMUJFWSA-N -1 1 379.428 1.385 20 0 GDADMM O=C(Cc1ccoc1)N[C@]12CCC[C@H]1N(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001571160502 952725868 /nfs/dbraw/zinc/72/58/68/952725868.db2.gz INQPVEYOQPICHU-KDOFPFPSSA-N -1 1 380.412 1.110 20 0 GDADMM O=C(Cc1ccoc1)N[C@]12CCC[C@H]1N(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001571160502 952725876 /nfs/dbraw/zinc/72/58/76/952725876.db2.gz INQPVEYOQPICHU-KDOFPFPSSA-N -1 1 380.412 1.110 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)[C@H](C)C2)n1 ZINC001571160386 952726069 /nfs/dbraw/zinc/72/60/69/952726069.db2.gz ZWNLUWCCUZMBLM-DGCLKSJQSA-N -1 1 379.428 1.323 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)[C@H](C)C2)n1 ZINC001571160386 952726073 /nfs/dbraw/zinc/72/60/73/952726073.db2.gz ZWNLUWCCUZMBLM-DGCLKSJQSA-N -1 1 379.428 1.323 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)c3cccnc3)C[C@H]2C)n1 ZINC001571160368 952726528 /nfs/dbraw/zinc/72/65/28/952726528.db2.gz ZNRTWLCYGZOXAF-RISCZKNCSA-N -1 1 379.428 1.323 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)c3cccnc3)C[C@H]2C)n1 ZINC001571160368 952726530 /nfs/dbraw/zinc/72/65/30/952726530.db2.gz ZNRTWLCYGZOXAF-RISCZKNCSA-N -1 1 379.428 1.323 20 0 GDADMM Cc1coc(C(=O)N2C[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@@]3(C)C2)c1 ZINC001571160824 952728704 /nfs/dbraw/zinc/72/87/04/952728704.db2.gz MRIRMUKWYPDYQN-XIKOKIGWSA-N -1 1 380.412 1.157 20 0 GDADMM Cc1coc(C(=O)N2C[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@@]3(C)C2)c1 ZINC001571160824 952728710 /nfs/dbraw/zinc/72/87/10/952728710.db2.gz MRIRMUKWYPDYQN-XIKOKIGWSA-N -1 1 380.412 1.157 20 0 GDADMM Cc1[nH]nc(NC(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)c1-c1nn[n-]n1 ZINC001571161405 952731791 /nfs/dbraw/zinc/73/17/91/952731791.db2.gz UVVFQVFRHQAHLW-ZDUSSCGKSA-N -1 1 380.412 1.532 20 0 GDADMM O=C(Cc1ccco1)N1CCC[C@@H]2[C@H]1CCN2c1nccnc1-c1nnn[n-]1 ZINC001571161601 952734108 /nfs/dbraw/zinc/73/41/08/952734108.db2.gz YBIKMNLSPBIAQN-ZIAGYGMSSA-N -1 1 380.412 1.062 20 0 GDADMM O=C(Cc1ccco1)N1CCC[C@@H]2[C@H]1CCN2c1nccnc1-c1nn[n-]n1 ZINC001571161601 952734110 /nfs/dbraw/zinc/73/41/10/952734110.db2.gz YBIKMNLSPBIAQN-ZIAGYGMSSA-N -1 1 380.412 1.062 20 0 GDADMM O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)C1=CCCC1 ZINC001571171553 952793557 /nfs/dbraw/zinc/79/35/57/952793557.db2.gz BUGSPUYKQFNEMA-YOWGUQMCSA-N -1 1 380.456 1.631 20 0 GDADMM CN(c1nc(Cl)c(-c2nnn[n-]2)s1)[C@@H]1CCN(C(=O)c2ccon2)C1 ZINC001571171776 952796891 /nfs/dbraw/zinc/79/68/91/952796891.db2.gz GIIXSAJTTPIRMJ-SSDOTTSWSA-N -1 1 380.821 1.316 20 0 GDADMM CN(c1nc(Cl)c(-c2nn[n-]n2)s1)[C@@H]1CCN(C(=O)c2ccon2)C1 ZINC001571171776 952796894 /nfs/dbraw/zinc/79/68/94/952796894.db2.gz GIIXSAJTTPIRMJ-SSDOTTSWSA-N -1 1 380.821 1.316 20 0 GDADMM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001571171908 952799194 /nfs/dbraw/zinc/79/91/94/952799194.db2.gz IEVQDFMUMTYZBW-SMCFFWLLSA-N -1 1 380.456 1.319 20 0 GDADMM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001571171908 952799196 /nfs/dbraw/zinc/79/91/96/952799196.db2.gz IEVQDFMUMTYZBW-SMCFFWLLSA-N -1 1 380.456 1.319 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H](Nc3nc(-c4nn[n-]n4)c(Cl)s3)C2)on1 ZINC001571172549 952808176 /nfs/dbraw/zinc/80/81/76/952808176.db2.gz WYOJDUJAOLOQMU-SSDOTTSWSA-N -1 1 380.821 1.600 20 0 GDADMM CCN(C(=O)c1cccn1CC)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571183498 952879093 /nfs/dbraw/zinc/87/90/93/952879093.db2.gz CBNCOJOLPFOGPN-ZDUSSCGKSA-N -1 1 381.444 1.219 20 0 GDADMM CCN(C(=O)c1cccn1CC)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571183498 952879098 /nfs/dbraw/zinc/87/90/98/952879098.db2.gz CBNCOJOLPFOGPN-ZDUSSCGKSA-N -1 1 381.444 1.219 20 0 GDADMM CC(C)n1cccc1C(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571183904 952884659 /nfs/dbraw/zinc/88/46/59/952884659.db2.gz MLLGVRIKORHJPG-ZDUSSCGKSA-N -1 1 381.444 1.756 20 0 GDADMM CC(C)n1cccc1C(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571183904 952884663 /nfs/dbraw/zinc/88/46/63/952884663.db2.gz MLLGVRIKORHJPG-ZDUSSCGKSA-N -1 1 381.444 1.756 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccc[nH]2)[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001571184001 952886889 /nfs/dbraw/zinc/88/68/89/952886889.db2.gz OJNZXMRMOWBWMI-OCCSQVGLSA-N -1 1 381.444 1.728 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccc[nH]2)[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001571184001 952886893 /nfs/dbraw/zinc/88/68/93/952886893.db2.gz OJNZXMRMOWBWMI-OCCSQVGLSA-N -1 1 381.444 1.728 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)c3cc[nH]c3)C(C)(C)C2)n1 ZINC001571184807 952896637 /nfs/dbraw/zinc/89/66/37/952896637.db2.gz DGDLYPNTCUHSHD-AWEZNQCLSA-N -1 1 381.444 1.328 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)c3cc[nH]c3)C(C)(C)C2)n1 ZINC001571184807 952896640 /nfs/dbraw/zinc/89/66/40/952896640.db2.gz DGDLYPNTCUHSHD-AWEZNQCLSA-N -1 1 381.444 1.328 20 0 GDADMM CCn1ccc(C(=O)N2CC[C@H](Nc3cncc(-c4nnn[n-]4)n3)[C@@H]2C)c1C ZINC001571184789 952897182 /nfs/dbraw/zinc/89/71/82/952897182.db2.gz DBQGKROWZXTULF-JSGCOSHPSA-N -1 1 381.444 1.502 20 0 GDADMM CCn1ccc(C(=O)N2CC[C@H](Nc3cncc(-c4nn[n-]n4)n3)[C@@H]2C)c1C ZINC001571184789 952897188 /nfs/dbraw/zinc/89/71/88/952897188.db2.gz DBQGKROWZXTULF-JSGCOSHPSA-N -1 1 381.444 1.502 20 0 GDADMM Cc1c(C(=O)N2C[C@H](C)[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)ccn1C ZINC001571184857 952898444 /nfs/dbraw/zinc/89/84/44/952898444.db2.gz FQXFLHQDHSBZKH-AAEUAGOBSA-N -1 1 381.444 1.124 20 0 GDADMM Cc1c(C(=O)N2C[C@H](C)[C@@H](CNc3nccnc3-c3nn[n-]n3)C2)ccn1C ZINC001571184857 952898448 /nfs/dbraw/zinc/89/84/48/952898448.db2.gz FQXFLHQDHSBZKH-AAEUAGOBSA-N -1 1 381.444 1.124 20 0 GDADMM Cc1[nH]ccc1C(=O)N[C@H](C)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571185018 952898463 /nfs/dbraw/zinc/89/84/63/952898463.db2.gz GSKFCIQKCSJFIW-YPMHNXCESA-N -1 1 381.444 1.328 20 0 GDADMM Cc1[nH]ccc1C(=O)N[C@H](C)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571185018 952898471 /nfs/dbraw/zinc/89/84/71/952898471.db2.gz GSKFCIQKCSJFIW-YPMHNXCESA-N -1 1 381.444 1.328 20 0 GDADMM Cc1c(C(=O)N[C@@H]2CCCC[C@H]2Nc2ccc(-c3nnn[n-]3)nn2)ccn1C ZINC001571185577 952902279 /nfs/dbraw/zinc/90/22/79/952902279.db2.gz NHWMQURIQYJWSD-ZIAGYGMSSA-N -1 1 381.444 1.457 20 0 GDADMM Cc1c(C(=O)N[C@@H]2CCCC[C@H]2Nc2ccc(-c3nn[n-]n3)nn2)ccn1C ZINC001571185577 952902280 /nfs/dbraw/zinc/90/22/80/952902280.db2.gz NHWMQURIQYJWSD-ZIAGYGMSSA-N -1 1 381.444 1.457 20 0 GDADMM CCn1ccc(C(=O)N2CCC(Nc3cnc(-c4nnn[n-]4)cn3)CC2)c1C ZINC001571185793 952903917 /nfs/dbraw/zinc/90/39/17/952903917.db2.gz PONBUZVVRFPXBF-UHFFFAOYSA-N -1 1 381.444 1.503 20 0 GDADMM CCn1ccc(C(=O)N2CCC(Nc3cnc(-c4nn[n-]n4)cn3)CC2)c1C ZINC001571185793 952903926 /nfs/dbraw/zinc/90/39/26/952903926.db2.gz PONBUZVVRFPXBF-UHFFFAOYSA-N -1 1 381.444 1.503 20 0 GDADMM Cc1cc(C(=O)N2C[C@@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C[C@@H]2C)c(C)[nH]1 ZINC001571186266 952905704 /nfs/dbraw/zinc/90/57/04/952905704.db2.gz UTXJUYAMJKEYFJ-AAEUAGOBSA-N -1 1 381.444 1.625 20 0 GDADMM Cc1cc(C(=O)N2C[C@@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C[C@@H]2C)c(C)[nH]1 ZINC001571186266 952905705 /nfs/dbraw/zinc/90/57/05/952905705.db2.gz UTXJUYAMJKEYFJ-AAEUAGOBSA-N -1 1 381.444 1.625 20 0 GDADMM Cc1ccc(C(=O)NC[C@@H]2CCCCN2c2ccc(-c3nnn[n-]3)nn2)n1C ZINC001571188010 952911333 /nfs/dbraw/zinc/91/13/33/952911333.db2.gz FODXRVYFUGVPAX-ZDUSSCGKSA-N -1 1 381.444 1.093 20 0 GDADMM Cc1ccc(C(=O)NC[C@@H]2CCCCN2c2ccc(-c3nn[n-]n3)nn2)n1C ZINC001571188010 952911339 /nfs/dbraw/zinc/91/13/39/952911339.db2.gz FODXRVYFUGVPAX-ZDUSSCGKSA-N -1 1 381.444 1.093 20 0 GDADMM Cc1ccn(C)c1C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001571189064 952923996 /nfs/dbraw/zinc/92/39/96/952923996.db2.gz RHSMLOXJVSBMRD-STQMWFEESA-N -1 1 381.444 1.266 20 0 GDADMM Cc1ccn(C)c1C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001571189064 952924000 /nfs/dbraw/zinc/92/40/00/952924000.db2.gz RHSMLOXJVSBMRD-STQMWFEESA-N -1 1 381.444 1.266 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)C[C@H]1C)C1CC1 ZINC001571193152 952951373 /nfs/dbraw/zinc/95/13/73/952951373.db2.gz YVGFXAVGQRWJKP-KHQFGBGNSA-N -1 1 381.893 1.964 20 0 GDADMM CCc1ccc(F)cc1C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571196348 952981611 /nfs/dbraw/zinc/98/16/11/952981611.db2.gz JFISHIDIRVGEOD-CYBMUJFWSA-N -1 1 382.403 1.367 20 0 GDADMM CCc1ccc(F)cc1C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571196348 952981614 /nfs/dbraw/zinc/98/16/14/952981614.db2.gz JFISHIDIRVGEOD-CYBMUJFWSA-N -1 1 382.403 1.367 20 0 GDADMM CCc1nc(N[C@H]2C[C@H](NC(=O)c3cccc(F)c3)C2)cc(-c2nnn[n-]2)n1 ZINC001571196943 952986522 /nfs/dbraw/zinc/98/65/22/952986522.db2.gz QLNSHRXKUVWUPD-JOCQHMNTSA-N -1 1 382.403 1.731 20 0 GDADMM CCc1nc(N[C@H]2C[C@H](NC(=O)c3cccc(F)c3)C2)cc(-c2nn[n-]n2)n1 ZINC001571196943 952986524 /nfs/dbraw/zinc/98/65/24/952986524.db2.gz QLNSHRXKUVWUPD-JOCQHMNTSA-N -1 1 382.403 1.731 20 0 GDADMM Cc1cccc(F)c1C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571197159 952987229 /nfs/dbraw/zinc/98/72/29/952987229.db2.gz SWFNJDHLNVZDKU-GFCCVEGCSA-N -1 1 382.403 1.503 20 0 GDADMM Cc1cccc(F)c1C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571197159 952987234 /nfs/dbraw/zinc/98/72/34/952987234.db2.gz SWFNJDHLNVZDKU-GFCCVEGCSA-N -1 1 382.403 1.503 20 0 GDADMM CN(C(=O)c1ccc(F)cc1)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571197387 952990128 /nfs/dbraw/zinc/99/01/28/952990128.db2.gz YSHGFXOLHKKKJV-UHFFFAOYSA-N -1 1 382.403 1.537 20 0 GDADMM CN(C(=O)c1ccc(F)cc1)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571197387 952990131 /nfs/dbraw/zinc/99/01/31/952990131.db2.gz YSHGFXOLHKKKJV-UHFFFAOYSA-N -1 1 382.403 1.537 20 0 GDADMM CCc1nc(NC[C@]2(C)CCN(C(=O)c3ccoc3)C2)cc(-c2nnn[n-]2)n1 ZINC001571199108 952996487 /nfs/dbraw/zinc/99/64/87/952996487.db2.gz LVISHPWHWMZPON-SFHVURJKSA-N -1 1 382.428 1.776 20 0 GDADMM CCc1nc(NC[C@]2(C)CCN(C(=O)c3ccoc3)C2)cc(-c2nn[n-]n2)n1 ZINC001571199108 952996494 /nfs/dbraw/zinc/99/64/94/952996494.db2.gz LVISHPWHWMZPON-SFHVURJKSA-N -1 1 382.428 1.776 20 0 GDADMM C[C@@H]1CCN(C(=O)Cc2ccco2)[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571199315 952999844 /nfs/dbraw/zinc/99/98/44/952999844.db2.gz POYHZSJMUAKROH-OLZOCXBDSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@@H]1CCN(C(=O)Cc2ccco2)[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571199315 952999848 /nfs/dbraw/zinc/99/98/48/952999848.db2.gz POYHZSJMUAKROH-OLZOCXBDSA-N -1 1 382.428 1.531 20 0 GDADMM CCc1occc1C(=O)N[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571199664 953003178 /nfs/dbraw/zinc/00/31/78/953003178.db2.gz YBRFHADOILZVSP-CHWSQXEVSA-N -1 1 382.428 1.965 20 0 GDADMM CCc1occc1C(=O)N[C@@H]1CCCC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571199664 953003183 /nfs/dbraw/zinc/00/31/83/953003183.db2.gz YBRFHADOILZVSP-CHWSQXEVSA-N -1 1 382.428 1.965 20 0 GDADMM Cc1coc(C)c1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H](C)C1 ZINC001571200087 953006642 /nfs/dbraw/zinc/00/66/42/953006642.db2.gz APYZHWGGSKMULW-AAEUAGOBSA-N -1 1 382.428 1.654 20 0 GDADMM Cc1coc(C)c1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H](C)C1 ZINC001571200087 953006645 /nfs/dbraw/zinc/00/66/45/953006645.db2.gz APYZHWGGSKMULW-AAEUAGOBSA-N -1 1 382.428 1.654 20 0 GDADMM O=C(N[C@@H]1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)c1cccc(F)c1 ZINC001571200409 953008916 /nfs/dbraw/zinc/00/89/16/953008916.db2.gz ILCJKNBSTYFYIF-BXUZGUMPSA-N -1 1 382.403 1.806 20 0 GDADMM O=C(N[C@@H]1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)c1cccc(F)c1 ZINC001571200409 953008918 /nfs/dbraw/zinc/00/89/18/953008918.db2.gz ILCJKNBSTYFYIF-BXUZGUMPSA-N -1 1 382.403 1.806 20 0 GDADMM O=C(N[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1)c1cccc(F)c1 ZINC001571200718 953010544 /nfs/dbraw/zinc/01/05/44/953010544.db2.gz KLSLCFVMNXLVCW-ZIAGYGMSSA-N -1 1 382.403 1.371 20 0 GDADMM Cc1ccoc1CC(=O)N1CC[C@@H]([C@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571200571 953011209 /nfs/dbraw/zinc/01/12/09/953011209.db2.gz DWRFZZZCQMTGQG-QWHCGFSZSA-N -1 1 382.428 1.450 20 0 GDADMM Cc1ccoc1CC(=O)N1CC[C@@H]([C@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571200571 953011215 /nfs/dbraw/zinc/01/12/15/953011215.db2.gz DWRFZZZCQMTGQG-QWHCGFSZSA-N -1 1 382.428 1.450 20 0 GDADMM O=C(c1ccc(F)cc1)N1CCC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571201184 953015983 /nfs/dbraw/zinc/01/59/83/953015983.db2.gz PFHLCOPOQKJOKQ-GFCCVEGCSA-N -1 1 382.403 1.760 20 0 GDADMM O=C(c1ccc(F)cc1)N1CCC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571201184 953015988 /nfs/dbraw/zinc/01/59/88/953015988.db2.gz PFHLCOPOQKJOKQ-GFCCVEGCSA-N -1 1 382.403 1.760 20 0 GDADMM O=C(N[C@H]1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cccc(F)c1 ZINC001571202380 953024646 /nfs/dbraw/zinc/02/46/46/953024646.db2.gz VWQRDGVWMSEWLM-KGLIPLIRSA-N -1 1 382.403 1.949 20 0 GDADMM O=C(N[C@H]1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cccc(F)c1 ZINC001571202380 953024650 /nfs/dbraw/zinc/02/46/50/953024650.db2.gz VWQRDGVWMSEWLM-KGLIPLIRSA-N -1 1 382.403 1.949 20 0 GDADMM O=C(NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)c1ccc(CF)cc1 ZINC001571202420 953025750 /nfs/dbraw/zinc/02/57/50/953025750.db2.gz WHXPQADPCXGMOP-CQSZACIVSA-N -1 1 382.403 1.525 20 0 GDADMM O=C(NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)c1ccc(CF)cc1 ZINC001571202420 953025755 /nfs/dbraw/zinc/02/57/55/953025755.db2.gz WHXPQADPCXGMOP-CQSZACIVSA-N -1 1 382.403 1.525 20 0 GDADMM Cc1cc(C(=O)N2CCC(C)(Nc3cnc(-c4nnn[n-]4)cn3)CC2)oc1C ZINC001571202855 953028786 /nfs/dbraw/zinc/02/87/86/953028786.db2.gz ZOQPONGQMYBHOG-UHFFFAOYSA-N -1 1 382.428 1.973 20 0 GDADMM Cc1cc(C(=O)N2CCC(C)(Nc3cnc(-c4nn[n-]n4)cn3)CC2)oc1C ZINC001571202855 953028790 /nfs/dbraw/zinc/02/87/90/953028790.db2.gz ZOQPONGQMYBHOG-UHFFFAOYSA-N -1 1 382.428 1.973 20 0 GDADMM Cc1cc(C(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C(C)(C)C2)oc1C ZINC001571202775 953028853 /nfs/dbraw/zinc/02/88/53/953028853.db2.gz YOVFIZDKQCSHHV-AWEZNQCLSA-N -1 1 382.428 1.829 20 0 GDADMM Cc1cc(C(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C(C)(C)C2)oc1C ZINC001571202775 953028856 /nfs/dbraw/zinc/02/88/56/953028856.db2.gz YOVFIZDKQCSHHV-AWEZNQCLSA-N -1 1 382.428 1.829 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@@H](CN(C)c3cncc(-c4nnn[n-]4)n3)C2)co1 ZINC001571202784 953028883 /nfs/dbraw/zinc/02/88/83/953028883.db2.gz YRBSQNSPAKTNLE-ZDUSSCGKSA-N -1 1 382.428 1.547 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@@H](CN(C)c3cncc(-c4nn[n-]n4)n3)C2)co1 ZINC001571202784 953028886 /nfs/dbraw/zinc/02/88/86/953028886.db2.gz YRBSQNSPAKTNLE-ZDUSSCGKSA-N -1 1 382.428 1.547 20 0 GDADMM CC(C)n1cc(C(=O)NC[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)cn1 ZINC001571204680 953032581 /nfs/dbraw/zinc/03/25/81/953032581.db2.gz BTXHDEXCTAKZJX-AULYBMBSSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1cc(C(=O)NC[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)cn1 ZINC001571204680 953032585 /nfs/dbraw/zinc/03/25/85/953032585.db2.gz BTXHDEXCTAKZJX-AULYBMBSSA-N -1 1 382.432 1.055 20 0 GDADMM Cc1oc(C)c(C(=O)N2C[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C[C@H]2C)c1C ZINC001571205354 953037476 /nfs/dbraw/zinc/03/74/76/953037476.db2.gz HYTBTVOKGRWEAT-RNCFNFMXSA-N -1 1 382.428 1.890 20 0 GDADMM Cc1oc(C)c(C(=O)N2C[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C[C@H]2C)c1C ZINC001571205354 953037479 /nfs/dbraw/zinc/03/74/79/953037479.db2.gz HYTBTVOKGRWEAT-RNCFNFMXSA-N -1 1 382.428 1.890 20 0 GDADMM Cc1n[nH]cc1C(=O)N1CCC[C@@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571206033 953046172 /nfs/dbraw/zinc/04/61/72/953046172.db2.gz CUGZIYBURFTUFO-CMPLNLGQSA-N -1 1 382.432 1.041 20 0 GDADMM Cc1n[nH]cc1C(=O)N1CCC[C@@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571206033 953046173 /nfs/dbraw/zinc/04/61/73/953046173.db2.gz CUGZIYBURFTUFO-CMPLNLGQSA-N -1 1 382.432 1.041 20 0 GDADMM Cc1c[nH]nc1C(=O)N1CC[C@@H](C)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571206097 953046857 /nfs/dbraw/zinc/04/68/57/953046857.db2.gz DCCIOUJEIQHYHB-PWSUYJOCSA-N -1 1 382.432 1.041 20 0 GDADMM Cc1c[nH]nc1C(=O)N1CC[C@@H](C)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571206097 953046861 /nfs/dbraw/zinc/04/68/61/953046861.db2.gz DCCIOUJEIQHYHB-PWSUYJOCSA-N -1 1 382.432 1.041 20 0 GDADMM Cc1oc(C)c(C(=O)N2CCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)c1C ZINC001571206628 953053173 /nfs/dbraw/zinc/05/31/73/953053173.db2.gz SCFZUHHRTIYWBT-CYBMUJFWSA-N -1 1 382.428 1.314 20 0 GDADMM CCn1cc(C(=O)N[C@H]2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)cn1 ZINC001571206822 953056257 /nfs/dbraw/zinc/05/62/57/953056257.db2.gz XQYMEBZOLZYZPW-OLZOCXBDSA-N -1 1 382.432 1.026 20 0 GDADMM CCn1cc(C(=O)N[C@H]2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)cn1 ZINC001571206822 953056259 /nfs/dbraw/zinc/05/62/59/953056259.db2.gz XQYMEBZOLZYZPW-OLZOCXBDSA-N -1 1 382.432 1.026 20 0 GDADMM Cn1c(=O)[nH]c(N[C@@H](Cc2cccnc2)C2CCCC2)c(-c2nn[n-]n2)c1=O ZINC001571207380 953062380 /nfs/dbraw/zinc/06/23/80/953062380.db2.gz ZATGKKIWYFCAKR-ZDUSSCGKSA-N -1 1 382.428 1.274 20 0 GDADMM O=C(c1ccsc1)N1CC[C@H]2[C@@H](CCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571209639 953066090 /nfs/dbraw/zinc/06/60/90/953066090.db2.gz ADPCGVCCRRGNTG-FZMZJTMJSA-N -1 1 382.453 1.459 20 0 GDADMM O=C(c1ccsc1)N1CC[C@H]2[C@@H](CCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571209639 953066095 /nfs/dbraw/zinc/06/60/95/953066095.db2.gz ADPCGVCCRRGNTG-FZMZJTMJSA-N -1 1 382.453 1.459 20 0 GDADMM CN(c1nccnc1-c1nnn[n-]1)[C@@H]1CCCN(C(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001571211602 953078277 /nfs/dbraw/zinc/07/82/77/953078277.db2.gz CPTOZSPEBVLHKA-PJIJBLCYSA-N -1 1 382.472 1.664 20 0 GDADMM CN(c1nccnc1-c1nn[n-]n1)[C@@H]1CCCN(C(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001571211602 953078280 /nfs/dbraw/zinc/07/82/80/953078280.db2.gz CPTOZSPEBVLHKA-PJIJBLCYSA-N -1 1 382.472 1.664 20 0 GDADMM Cc1nn(C(C)C)cc1C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571212329 953086927 /nfs/dbraw/zinc/08/69/27/953086927.db2.gz LRDUTGXOQIMTMN-LBPRGKRZSA-N -1 1 382.432 1.069 20 0 GDADMM Cc1nn(C(C)C)cc1C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571212329 953086929 /nfs/dbraw/zinc/08/69/29/953086929.db2.gz LRDUTGXOQIMTMN-LBPRGKRZSA-N -1 1 382.432 1.069 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@H]2CCN(C(=O)[C@H]3[C@@H]4CCCC[C@@H]43)C2)n1 ZINC001571212945 953091223 /nfs/dbraw/zinc/09/12/23/953091223.db2.gz OIMWBJIJVPVUIB-TTZDDIAXSA-N -1 1 382.472 1.438 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@H]2CCN(C(=O)[C@H]3[C@@H]4CCCC[C@@H]43)C2)n1 ZINC001571212945 953091227 /nfs/dbraw/zinc/09/12/27/953091227.db2.gz OIMWBJIJVPVUIB-TTZDDIAXSA-N -1 1 382.472 1.438 20 0 GDADMM C[C@H](Nc1nccnc1-c1nnn[n-]1)[C@H]1CCCN(C(=O)C2CC3(CC3)C2)C1 ZINC001571212999 953092393 /nfs/dbraw/zinc/09/23/93/953092393.db2.gz PIFDPBKTQHYDPX-STQMWFEESA-N -1 1 382.472 1.886 20 0 GDADMM C[C@H](Nc1nccnc1-c1nn[n-]n1)[C@H]1CCCN(C(=O)C2CC3(CC3)C2)C1 ZINC001571212999 953092394 /nfs/dbraw/zinc/09/23/94/953092394.db2.gz PIFDPBKTQHYDPX-STQMWFEESA-N -1 1 382.472 1.886 20 0 GDADMM CN(c1nccnc1-c1nnn[n-]1)[C@H]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001571213241 953093315 /nfs/dbraw/zinc/09/33/15/953093315.db2.gz PZDXRSZFLBSWJJ-ZQDZILKHSA-N -1 1 382.472 1.520 20 0 GDADMM CN(c1nccnc1-c1nn[n-]n1)[C@H]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001571213241 953093317 /nfs/dbraw/zinc/09/33/17/953093317.db2.gz PZDXRSZFLBSWJJ-ZQDZILKHSA-N -1 1 382.472 1.520 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H]3[C@@H]2CCCN3C(=O)CCC2CC2)n1 ZINC001571213264 953094328 /nfs/dbraw/zinc/09/43/28/953094328.db2.gz QMZJCIOKOYYDHC-JKSUJKDBSA-N -1 1 382.472 1.725 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H]3[C@@H]2CCCN3C(=O)CCC2CC2)n1 ZINC001571213264 953094333 /nfs/dbraw/zinc/09/43/33/953094333.db2.gz QMZJCIOKOYYDHC-JKSUJKDBSA-N -1 1 382.472 1.725 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@]3(CCN(C(=O)[C@@H](C)C4CC4)C3)C2)n1 ZINC001571213253 953094608 /nfs/dbraw/zinc/09/46/08/953094608.db2.gz QKLUGGYSKDRJLG-ORAYPTAESA-N -1 1 382.472 1.440 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@]3(CCN(C(=O)[C@@H](C)C4CC4)C3)C2)n1 ZINC001571213253 953094610 /nfs/dbraw/zinc/09/46/10/953094610.db2.gz QKLUGGYSKDRJLG-ORAYPTAESA-N -1 1 382.472 1.440 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@]23CCC[C@H]2CN(C(=O)C2CCC2)C3)n1 ZINC001571213577 953096193 /nfs/dbraw/zinc/09/61/93/953096193.db2.gz RXAVRKZUCBUVLX-LIRRHRJNSA-N -1 1 382.472 1.806 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@]23CCC[C@H]2CN(C(=O)C2CCC2)C3)n1 ZINC001571213577 953096199 /nfs/dbraw/zinc/09/61/99/953096199.db2.gz RXAVRKZUCBUVLX-LIRRHRJNSA-N -1 1 382.472 1.806 20 0 GDADMM CC1(C)CC(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571213683 953096454 /nfs/dbraw/zinc/09/64/54/953096454.db2.gz UDNUIPTYPUZLEQ-OKILXGFUSA-N -1 1 382.472 1.663 20 0 GDADMM CC1(C)CC(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571213683 953096455 /nfs/dbraw/zinc/09/64/55/953096455.db2.gz UDNUIPTYPUZLEQ-OKILXGFUSA-N -1 1 382.472 1.663 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCN(C(=O)C34CCC(CC3)C4)C2)n1 ZINC001571214424 953101580 /nfs/dbraw/zinc/10/15/80/953101580.db2.gz YNEMXAHRHLZAFM-SHYRYGCCSA-N -1 1 382.472 1.806 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCN(C(=O)C34CCC(CC3)C4)C2)n1 ZINC001571214424 953101583 /nfs/dbraw/zinc/10/15/83/953101583.db2.gz YNEMXAHRHLZAFM-SHYRYGCCSA-N -1 1 382.472 1.806 20 0 GDADMM CN(C[C@H]1CCN(C(=O)C[C@@H]2C[C@H]2C2CC2)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571214341 953101683 /nfs/dbraw/zinc/10/16/83/953101683.db2.gz XRTAHDUGCJZTAQ-SNPRPXQTSA-N -1 1 382.472 1.378 20 0 GDADMM CCc1nc(NC2CCC(NC(=O)[C@@H]3CC34CC4)CC2)cc(-c2nnn[n-]2)n1 ZINC001571214480 953102605 /nfs/dbraw/zinc/10/26/05/953102605.db2.gz ZRTRIWSSDGMVNF-BPCQOVAHSA-N -1 1 382.472 1.859 20 0 GDADMM CCc1nc(NC2CCC(NC(=O)[C@@H]3CC34CC4)CC2)cc(-c2nn[n-]n2)n1 ZINC001571214480 953102606 /nfs/dbraw/zinc/10/26/06/953102606.db2.gz ZRTRIWSSDGMVNF-BPCQOVAHSA-N -1 1 382.472 1.859 20 0 GDADMM O=C(C1CCCCC1)N1CCC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001571216862 953104687 /nfs/dbraw/zinc/10/46/87/953104687.db2.gz AYVXFVKCHHFZND-GOEBONIOSA-N -1 1 382.472 1.664 20 0 GDADMM O=C(C1CCCCC1)N1CCC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001571216862 953104688 /nfs/dbraw/zinc/10/46/88/953104688.db2.gz AYVXFVKCHHFZND-GOEBONIOSA-N -1 1 382.472 1.664 20 0 GDADMM O=C(CCC1CCCCC1)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1 ZINC001571217313 953107480 /nfs/dbraw/zinc/10/74/80/953107480.db2.gz FKENANBGAODQDJ-GJZGRUSLSA-N -1 1 382.472 1.807 20 0 GDADMM C[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ncccc1F ZINC001571217392 953108220 /nfs/dbraw/zinc/10/82/20/953108220.db2.gz KOYOTCYHOZLEIN-QWRGUYRKSA-N -1 1 383.391 1.296 20 0 GDADMM C[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ncccc1F ZINC001571217392 953108223 /nfs/dbraw/zinc/10/82/23/953108223.db2.gz KOYOTCYHOZLEIN-QWRGUYRKSA-N -1 1 383.391 1.296 20 0 GDADMM O=C(NC[C@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2)C1CCCC1 ZINC001571217659 953110215 /nfs/dbraw/zinc/11/02/15/953110215.db2.gz HDDOUQANRWZFSY-DNVCBOLYSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(NC[C@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2)C1CCCC1 ZINC001571217659 953110216 /nfs/dbraw/zinc/11/02/16/953110216.db2.gz HDDOUQANRWZFSY-DNVCBOLYSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)[C@H]1CCCC2(CC2)C1 ZINC001571218429 953114666 /nfs/dbraw/zinc/11/46/66/953114666.db2.gz NLLZJWYSEOUQCJ-KBPBESRZSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)[C@H]1CCCC2(CC2)C1 ZINC001571218429 953114679 /nfs/dbraw/zinc/11/46/79/953114679.db2.gz NLLZJWYSEOUQCJ-KBPBESRZSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(N[C@@H]1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)C1CC2(CCC2)C1 ZINC001571218459 953115001 /nfs/dbraw/zinc/11/50/01/953115001.db2.gz OQQYPKWHQPSXHK-GXTWGEPZSA-N -1 1 382.472 1.356 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)[C@H]1C[C@@H]1C1CCCC1 ZINC001571218487 953116239 /nfs/dbraw/zinc/11/62/39/953116239.db2.gz PDGTXHAAGHLTPD-NGFQHRJXSA-N -1 1 382.472 1.790 20 0 GDADMM O=C(N[C@H]1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)[C@H]1C[C@@H]1C1CCCC1 ZINC001571218487 953116242 /nfs/dbraw/zinc/11/62/42/953116242.db2.gz PDGTXHAAGHLTPD-NGFQHRJXSA-N -1 1 382.472 1.790 20 0 GDADMM O=C(NC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001571218834 953119964 /nfs/dbraw/zinc/11/99/64/953119964.db2.gz RWDPKHAZVOKDSL-CBBWQLFWSA-N -1 1 382.472 1.426 20 0 GDADMM O=C(NC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001571218834 953119968 /nfs/dbraw/zinc/11/99/68/953119968.db2.gz RWDPKHAZVOKDSL-CBBWQLFWSA-N -1 1 382.472 1.426 20 0 GDADMM O=C(N[C@@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cncc(F)c1 ZINC001571218965 953121337 /nfs/dbraw/zinc/12/13/37/953121337.db2.gz IBRQUUKRMLCVQA-QWHCGFSZSA-N -1 1 383.391 1.344 20 0 GDADMM O=C(N[C@@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cncc(F)c1 ZINC001571218965 953121340 /nfs/dbraw/zinc/12/13/40/953121340.db2.gz IBRQUUKRMLCVQA-QWHCGFSZSA-N -1 1 383.391 1.344 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001571219375 953124969 /nfs/dbraw/zinc/12/49/69/953124969.db2.gz YGWFDESLCLOJBX-SBJFKYEJSA-N -1 1 382.472 1.790 20 0 GDADMM O=C(NC[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001571219375 953124971 /nfs/dbraw/zinc/12/49/71/953124971.db2.gz YGWFDESLCLOJBX-SBJFKYEJSA-N -1 1 382.472 1.790 20 0 GDADMM CCc1nc(C(=O)N2CC[C@H](Nc3cc(-c4nnn[n-]4)nc(CC)n3)C2)co1 ZINC001571222820 953138752 /nfs/dbraw/zinc/13/87/52/953138752.db2.gz MUQZWHKXMQESQT-JTQLQIEISA-N -1 1 383.416 1.096 20 0 GDADMM CCc1nc(C(=O)N2CC[C@H](Nc3cc(-c4nn[n-]n4)nc(CC)n3)C2)co1 ZINC001571222820 953138755 /nfs/dbraw/zinc/13/87/55/953138755.db2.gz MUQZWHKXMQESQT-JTQLQIEISA-N -1 1 383.416 1.096 20 0 GDADMM CCc1noc(C)c1C(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571223584 953145008 /nfs/dbraw/zinc/14/50/08/953145008.db2.gz WJDJQIDWOORNLB-LLVKDONJSA-N -1 1 383.416 1.232 20 0 GDADMM CCc1noc(C)c1C(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571223584 953145009 /nfs/dbraw/zinc/14/50/09/953145009.db2.gz WJDJQIDWOORNLB-LLVKDONJSA-N -1 1 383.416 1.232 20 0 GDADMM Cc1nc(C(=O)N2CC[C@H]([C@@H](C)Nc3nccnc3-c3nnn[n-]3)C2)c(C)o1 ZINC001571225955 953155505 /nfs/dbraw/zinc/15/55/05/953155505.db2.gz PBIHNSMEHCREFP-SKDRFNHKSA-N -1 1 383.416 1.224 20 0 GDADMM Cc1nc(C(=O)N2CC[C@H]([C@@H](C)Nc3nccnc3-c3nn[n-]n3)C2)c(C)o1 ZINC001571225955 953155506 /nfs/dbraw/zinc/15/55/06/953155506.db2.gz PBIHNSMEHCREFP-SKDRFNHKSA-N -1 1 383.416 1.224 20 0 GDADMM Cc1noc(C(C)C)c1C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571226619 953156133 /nfs/dbraw/zinc/15/61/33/953156133.db2.gz SXQBFAPYWFPHTP-LLVKDONJSA-N -1 1 383.416 1.085 20 0 GDADMM Cc1noc(C(C)C)c1C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571226619 953156136 /nfs/dbraw/zinc/15/61/36/953156136.db2.gz SXQBFAPYWFPHTP-LLVKDONJSA-N -1 1 383.416 1.085 20 0 GDADMM Cc1nc(C(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C[C@@H]2C)c(C)o1 ZINC001571226692 953156690 /nfs/dbraw/zinc/15/66/90/953156690.db2.gz WCEHGOLJKFQDPE-JOYOIKCWSA-N -1 1 383.416 1.367 20 0 GDADMM Cc1nc(C(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C[C@@H]2C)c(C)o1 ZINC001571226692 953156694 /nfs/dbraw/zinc/15/66/94/953156694.db2.gz WCEHGOLJKFQDPE-JOYOIKCWSA-N -1 1 383.416 1.367 20 0 GDADMM Cc1cc(C(=O)N2CCCC[C@@H]2[C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)on1 ZINC001571226942 953157713 /nfs/dbraw/zinc/15/77/13/953157713.db2.gz XKDCLFMHEMZNBN-DGCLKSJQSA-N -1 1 383.416 1.448 20 0 GDADMM Cc1cc(C(=O)N2CCCC[C@@H]2[C@@H](C)Nc2cncc(-c3nn[n-]n3)n2)on1 ZINC001571226942 953157715 /nfs/dbraw/zinc/15/77/15/953157715.db2.gz XKDCLFMHEMZNBN-DGCLKSJQSA-N -1 1 383.416 1.448 20 0 GDADMM Cc1nocc1C(=O)N1CCC[C@H](C)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571228841 953166743 /nfs/dbraw/zinc/16/67/43/953166743.db2.gz WJXXWWBSZDEOOZ-GWCFXTLKSA-N -1 1 383.416 1.306 20 0 GDADMM Cc1nocc1C(=O)N1CCC[C@H](C)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571228841 953166747 /nfs/dbraw/zinc/16/67/47/953166747.db2.gz WJXXWWBSZDEOOZ-GWCFXTLKSA-N -1 1 383.416 1.306 20 0 GDADMM O=C(N[C@@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C12CCC2)c1ccsn1 ZINC001571231194 953183232 /nfs/dbraw/zinc/18/32/32/953183232.db2.gz VATNJMNTSLSVTK-WDEREUQCSA-N -1 1 383.441 1.266 20 0 GDADMM O=C(N[C@@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C12CCC2)c1ccsn1 ZINC001571231194 953183234 /nfs/dbraw/zinc/18/32/34/953183234.db2.gz VATNJMNTSLSVTK-WDEREUQCSA-N -1 1 383.441 1.266 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)CC(F)(F)F)C[C@H]2C)n1 ZINC001571234822 953206259 /nfs/dbraw/zinc/20/62/59/953206259.db2.gz JPJSONULYUIVHQ-PSASIEDQSA-N -1 1 384.366 1.566 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)CC(F)(F)F)C[C@H]2C)n1 ZINC001571234822 953206261 /nfs/dbraw/zinc/20/62/61/953206261.db2.gz JPJSONULYUIVHQ-PSASIEDQSA-N -1 1 384.366 1.566 20 0 GDADMM COc1cccc2c1OCCC[C@@H]2NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001571238150 953225603 /nfs/dbraw/zinc/22/56/03/953225603.db2.gz VNKRCZSGSXXGMU-JQWIXIFHSA-N -1 1 384.400 1.058 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1)c1cccs1 ZINC001571245086 953270142 /nfs/dbraw/zinc/27/01/42/953270142.db2.gz DHOVDIATVGIFPX-NWDGAFQWSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1)c1cccs1 ZINC001571245086 953270144 /nfs/dbraw/zinc/27/01/44/953270144.db2.gz DHOVDIATVGIFPX-NWDGAFQWSA-N -1 1 384.469 1.559 20 0 GDADMM Cc1nsc(N2CC[C@@H](N(C)C(=O)c3ncccc3C)C2)c1-c1nn[n-]n1 ZINC001571245234 953271306 /nfs/dbraw/zinc/27/13/06/953271306.db2.gz PVWIEPSLQXKVSR-GFCCVEGCSA-N -1 1 384.469 1.686 20 0 GDADMM CCc1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)s1 ZINC001571245277 953272506 /nfs/dbraw/zinc/27/25/06/953272506.db2.gz RHWMJXPMCKSYSF-ZWNOBZJWSA-N -1 1 384.469 1.853 20 0 GDADMM CCc1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)s1 ZINC001571245277 953272508 /nfs/dbraw/zinc/27/25/08/953272508.db2.gz RHWMJXPMCKSYSF-ZWNOBZJWSA-N -1 1 384.469 1.853 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)s1 ZINC001571245634 953274969 /nfs/dbraw/zinc/27/49/69/953274969.db2.gz XQKUUOMJFRBHMO-LBPRGKRZSA-N -1 1 384.469 1.734 20 0 GDADMM Cc1scc(C(=O)N2C[C@@H](C)[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)c1C ZINC001571247811 953286184 /nfs/dbraw/zinc/28/61/84/953286184.db2.gz FMUDNQDBWGXALN-RNCFNFMXSA-N -1 1 384.469 1.908 20 0 GDADMM Cc1scc(C(=O)N2C[C@@H](C)[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)c1C ZINC001571247811 953286187 /nfs/dbraw/zinc/28/61/87/953286187.db2.gz FMUDNQDBWGXALN-RNCFNFMXSA-N -1 1 384.469 1.908 20 0 GDADMM Cc1nsc(NC[C@@]2(C)CCN(C(=O)c3cccnc3)C2)c1-c1nn[n-]n1 ZINC001571247794 953286577 /nfs/dbraw/zinc/28/65/77/953286577.db2.gz FFTXRIXJQZXSTM-QGZVFWFLSA-N -1 1 384.469 1.991 20 0 GDADMM Cc1nsc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C)n2cccc2)c1-c1nn[n-]n1 ZINC001571248287 953291494 /nfs/dbraw/zinc/29/14/94/953291494.db2.gz PNGWVMJJZIGNBV-AGIUHOORSA-N -1 1 384.469 1.484 20 0 GDADMM O=C(Cc1cccs1)NC1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571248339 953292132 /nfs/dbraw/zinc/29/21/32/953292132.db2.gz QURRAUPTCIBOHD-UHFFFAOYSA-N -1 1 384.469 1.800 20 0 GDADMM O=C(Cc1cccs1)NC1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571248339 953292138 /nfs/dbraw/zinc/29/21/38/953292138.db2.gz QURRAUPTCIBOHD-UHFFFAOYSA-N -1 1 384.469 1.800 20 0 GDADMM CCC(CC)C(=O)N1CC[C@@]2(C1)CCCN(c1ccnc(-c3nn[n-]n3)n1)C2 ZINC001571250010 953307771 /nfs/dbraw/zinc/30/77/71/953307771.db2.gz NGUXWKVXXXCNJI-IBGZPJMESA-N -1 1 384.488 1.912 20 0 GDADMM CC1CC(C(=O)NC[C@@H]2CCC(C)(C)CN2c2nccnc2-c2nnn[n-]2)C1 ZINC001571251018 953314424 /nfs/dbraw/zinc/31/44/24/953314424.db2.gz VCHOEEYSTVELHE-RUXDESIVSA-N -1 1 384.488 1.814 20 0 GDADMM CC1CC(C(=O)NC[C@@H]2CCC(C)(C)CN2c2nccnc2-c2nn[n-]n2)C1 ZINC001571251018 953314430 /nfs/dbraw/zinc/31/44/30/953314430.db2.gz VCHOEEYSTVELHE-RUXDESIVSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)CCCC[C@@H]1C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571251407 953316586 /nfs/dbraw/zinc/31/65/86/953316586.db2.gz XHKCKISSXVHITO-MGPQQGTHSA-N -1 1 384.488 1.602 20 0 GDADMM O=C(C[C@H]1CC[C@H](C2CC2)O1)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571252203 953325406 /nfs/dbraw/zinc/32/54/06/953325406.db2.gz YWNRSOAUUJPOCC-AAVRWANBSA-N -1 1 384.444 1.064 20 0 GDADMM O=C(C[C@H]1CC[C@H](C2CC2)O1)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571252203 953325411 /nfs/dbraw/zinc/32/54/11/953325411.db2.gz YWNRSOAUUJPOCC-AAVRWANBSA-N -1 1 384.444 1.064 20 0 GDADMM C[C@@H]1CN(C(=O)C2CC(C)(C)C2)C[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001571252635 953330538 /nfs/dbraw/zinc/33/05/38/953330538.db2.gz SEVRBMINPDOSLH-CHWSQXEVSA-N -1 1 384.488 1.411 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)CCN1c1nccnc1-c1nnn[n-]1 ZINC001571252621 953330657 /nfs/dbraw/zinc/33/06/57/953330657.db2.gz RWGCQOHYIIWQQT-APIJFGDWSA-N -1 1 384.488 1.812 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)CCN1c1nccnc1-c1nn[n-]n1 ZINC001571252621 953330660 /nfs/dbraw/zinc/33/06/60/953330660.db2.gz RWGCQOHYIIWQQT-APIJFGDWSA-N -1 1 384.488 1.812 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cc(F)c[nH]2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571256167 953365241 /nfs/dbraw/zinc/36/52/41/953365241.db2.gz ZPTLXYLCWOQDQZ-GHMZBOCLSA-N -1 1 385.407 1.334 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cc(F)c[nH]2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571256167 953365250 /nfs/dbraw/zinc/36/52/50/953365250.db2.gz ZPTLXYLCWOQDQZ-GHMZBOCLSA-N -1 1 385.407 1.334 20 0 GDADMM CN(c1cncc(-c2nnn[n-]2)n1)[C@H]1CCN(C(=O)c2ccccc2Cl)C1 ZINC001571256346 953370999 /nfs/dbraw/zinc/37/09/99/953370999.db2.gz VLASTEWTBRIJLA-NSHDSACASA-N -1 1 384.831 1.661 20 0 GDADMM CN(c1cncc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)c2ccccc2Cl)C1 ZINC001571256346 953371010 /nfs/dbraw/zinc/37/10/10/953371010.db2.gz VLASTEWTBRIJLA-NSHDSACASA-N -1 1 384.831 1.661 20 0 GDADMM O=C([O-])c1ncccc1NC(=O)NCCCCN1CCN(c2ncccn2)CC1 ZINC001594757180 953472875 /nfs/dbraw/zinc/47/28/75/953472875.db2.gz LHHLZUFDJIWXIR-UHFFFAOYSA-N -1 1 399.455 1.294 20 0 GDADMM CN(CCN1CCN(Cc2ccccc2)CC1)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424408429 953473753 /nfs/dbraw/zinc/47/37/53/953473753.db2.gz VEWIRQSSKOKNSM-UHFFFAOYSA-N -1 1 390.528 1.947 20 0 GDADMM O=C([O-])C1CC2(C1)CC[C@@H](CNC(=O)NCc1n[nH]c(-c3ccncc3)n1)O2 ZINC001594778103 953608682 /nfs/dbraw/zinc/60/86/82/953608682.db2.gz ZBTPEFMDSSJRAH-XYEKJYRLSA-N -1 1 386.412 1.078 20 0 GDADMM C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000568087591 953641848 /nfs/dbraw/zinc/64/18/48/953641848.db2.gz KUAZUGBUNOQBLW-WWGRRREGSA-N -1 1 397.497 1.307 20 0 GDADMM C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000568087591 953641858 /nfs/dbraw/zinc/64/18/58/953641858.db2.gz KUAZUGBUNOQBLW-WWGRRREGSA-N -1 1 397.497 1.307 20 0 GDADMM O=C([O-])c1ncccc1NC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC001594811793 953835880 /nfs/dbraw/zinc/83/58/80/953835880.db2.gz LPCMOQUAWSZHGJ-NVXWUHKLSA-N -1 1 384.436 1.784 20 0 GDADMM CN(C)C(=O)N(C)[C@@H]1CCN(Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)C1 ZINC001593687599 953999073 /nfs/dbraw/zinc/99/90/73/953999073.db2.gz VMMHLMWDSYLYJO-HUUCEWRRSA-N -1 1 378.473 1.768 20 0 GDADMM O=C([O-])[C@H](c1ccccc1)N1CC[C@H](N[C@@H](c2nnc[nH]2)c2ccccc2)C1=O ZINC001594843686 954108176 /nfs/dbraw/zinc/10/81/76/954108176.db2.gz HRIGTDGJNDYMDY-KSZLIROESA-N -1 1 391.431 1.911 20 0 GDADMM CN(C)CCNS(=O)(=O)c1cccc(NCc2ccc(C(=O)[O-])cc2)c1 ZINC001593702367 954133783 /nfs/dbraw/zinc/13/37/83/954133783.db2.gz YNVZDDIMRIKSKH-UHFFFAOYSA-N -1 1 377.466 1.837 20 0 GDADMM CN(C)S(=O)(=O)C1(CNCc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)CC1 ZINC001593703510 954140018 /nfs/dbraw/zinc/14/00/18/954140018.db2.gz ASPMVIKFVMDQSD-ZDUSSCGKSA-N -1 1 385.486 1.094 20 0 GDADMM O=C([O-])C1(CNC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)CCC1 ZINC000659420284 954343683 /nfs/dbraw/zinc/34/36/83/954343683.db2.gz CKMVWQMVYBIVJM-IRXDYDNUSA-N 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CSc1nnc(C[N-]S(=O)(=O)c2ccc(CCNC(C)=O)s2)s1 ZINC000275670121 532305126 /nfs/dbraw/zinc/30/51/26/532305126.db2.gz XHDSZUNCNLFKRJ-UHFFFAOYSA-N -1 1 392.553 1.479 20 0 GDADMM CCOCc1nc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)no1 ZINC000289484156 532325862 /nfs/dbraw/zinc/32/58/62/532325862.db2.gz IMJGMYDYJGZCEY-MRVPVSSYSA-N -1 1 388.833 1.398 20 0 GDADMM O=C(Cn1cc(Cl)cn1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000289128689 532316277 /nfs/dbraw/zinc/31/62/77/532316277.db2.gz SEAWSDFJQTZAGU-UHFFFAOYSA-N -1 1 384.845 1.665 20 0 GDADMM NS(=O)(=O)c1ccc(NC(=O)CSc2nc(C3CC3)cc(=O)[n-]2)cc1 ZINC000276370087 532328023 /nfs/dbraw/zinc/32/80/23/532328023.db2.gz QTBXAYATCXRELW-UHFFFAOYSA-N -1 1 380.451 1.438 20 0 GDADMM CC[C@@H](NS(=O)(=O)c1sc(C(=O)OC)cc1Br)C(=O)[O-] ZINC000289757855 532331784 /nfs/dbraw/zinc/33/17/84/532331784.db2.gz PEKOYPLGTDFYBA-ZCFIWIBFSA-N -1 1 386.245 1.439 20 0 GDADMM COC(=O)[C@@H]([N-]S(=O)(=O)CC(C)(C)OC)c1ccc(OC)c(Cl)c1 ZINC000289833334 532332865 /nfs/dbraw/zinc/33/28/65/532332865.db2.gz LKEXLUFKXCFTRZ-ZDUSSCGKSA-N -1 1 379.862 1.907 20 0 GDADMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NCC1CCOCC1 ZINC000289997977 532335177 /nfs/dbraw/zinc/33/51/77/532335177.db2.gz ZNIVGPFBYNUGSV-UHFFFAOYSA-N -1 1 381.281 1.815 20 0 GDADMM O=c1c(-c2nn[n-]n2)cn(CCS(=O)(=O)c2ccccc2)c2ccccc21 ZINC000738370197 598825285 /nfs/dbraw/zinc/82/52/85/598825285.db2.gz ABXYRJLPIBFWJF-UHFFFAOYSA-N -1 1 381.417 1.656 20 0 GDADMM Cn1nc(C(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)ccc1=O ZINC000737620875 598835940 /nfs/dbraw/zinc/83/59/40/598835940.db2.gz DRKAZLDZRPTBLU-UHFFFAOYSA-N -1 1 393.432 1.619 20 0 GDADMM O=C(CSc1[nH]c(=O)cc(C(F)(F)F)c1-c1nn[n-]n1)OCC(F)F ZINC000737941831 598843032 /nfs/dbraw/zinc/84/30/32/598843032.db2.gz DYBAXIBOJOEBHR-UHFFFAOYSA-N -1 1 385.274 1.887 20 0 GDADMM COc1ccc(N(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1OC ZINC000737098974 598844015 /nfs/dbraw/zinc/84/40/15/598844015.db2.gz JBWHJAKHVLSSLL-UHFFFAOYSA-N -1 1 393.400 1.848 20 0 GDADMM COc1ccc(N(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1OC ZINC000737098974 598844018 /nfs/dbraw/zinc/84/40/18/598844018.db2.gz JBWHJAKHVLSSLL-UHFFFAOYSA-N -1 1 393.400 1.848 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCOC[C@@H]1CC(C)C ZINC000737198555 598865747 /nfs/dbraw/zinc/86/57/47/598865747.db2.gz AWJXIBXGKOYWKT-AWEZNQCLSA-N -1 1 388.472 1.790 20 0 GDADMM CCn1cc(NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)ccc1=O ZINC000736721841 598867012 /nfs/dbraw/zinc/86/70/12/598867012.db2.gz FFUZZZCFDFXRFC-UHFFFAOYSA-N -1 1 380.817 1.503 20 0 GDADMM CCn1cc(NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)ccc1=O ZINC000736721841 598867013 /nfs/dbraw/zinc/86/70/13/598867013.db2.gz FFUZZZCFDFXRFC-UHFFFAOYSA-N -1 1 380.817 1.503 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCO[C@@H](C(F)(F)F)C1 ZINC000738353059 598877664 /nfs/dbraw/zinc/87/76/64/598877664.db2.gz CHCKQRPMBGKKIW-SECBINFHSA-N -1 1 397.766 1.472 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCO[C@@H](C(F)(F)F)C1 ZINC000738353059 598877666 /nfs/dbraw/zinc/87/76/66/598877666.db2.gz CHCKQRPMBGKKIW-SECBINFHSA-N -1 1 397.766 1.472 20 0 GDADMM Cc1cc(C(=O)N(C)c2cccc(-c3nn[nH]n3)c2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000737227143 598923827 /nfs/dbraw/zinc/92/38/27/598923827.db2.gz JCJBGFPELYRAKW-UHFFFAOYSA-N -1 1 378.352 1.201 20 0 GDADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1cccc(N2CCNC2=O)c1 ZINC000737301778 598930807 /nfs/dbraw/zinc/93/08/07/598930807.db2.gz UJZIKDUDGXRSHD-UHFFFAOYSA-N -1 1 399.436 1.506 20 0 GDADMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc2c(c1)NC(=O)CO2 ZINC000737301733 598930871 /nfs/dbraw/zinc/93/08/71/598930871.db2.gz RLOVFRJIGFTYDU-UHFFFAOYSA-N -1 1 386.393 1.307 20 0 GDADMM O=C(C1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1)N1CCCC1 ZINC000737792939 598935471 /nfs/dbraw/zinc/93/54/71/598935471.db2.gz UHVPBUJIRJMMOU-UHFFFAOYSA-N -1 1 378.440 1.649 20 0 GDADMM O=C(C1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1)N1CCCC1 ZINC000737792939 598935473 /nfs/dbraw/zinc/93/54/73/598935473.db2.gz UHVPBUJIRJMMOU-UHFFFAOYSA-N -1 1 378.440 1.649 20 0 GDADMM O=C(NCc1cc(F)ccc1N1CCOCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738102412 598944712 /nfs/dbraw/zinc/94/47/12/598944712.db2.gz RQNIBKWJDZIRHT-UHFFFAOYSA-N -1 1 383.387 1.167 20 0 GDADMM O=C(NCc1cc(F)ccc1N1CCOCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738102412 598944715 /nfs/dbraw/zinc/94/47/15/598944715.db2.gz RQNIBKWJDZIRHT-UHFFFAOYSA-N -1 1 383.387 1.167 20 0 GDADMM CC(C)(C)C(=O)N[C@@H]1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000735587215 598966185 /nfs/dbraw/zinc/96/61/85/598966185.db2.gz QSZHHFUXEBPTDN-GFCCVEGCSA-N -1 1 380.456 1.941 20 0 GDADMM CC(C)(C)C(=O)N[C@@H]1CCCN(c2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000735587215 598966187 /nfs/dbraw/zinc/96/61/87/598966187.db2.gz QSZHHFUXEBPTDN-GFCCVEGCSA-N -1 1 380.456 1.941 20 0 GDADMM CS(=O)(=O)Cc1cccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000737165157 598963596 /nfs/dbraw/zinc/96/35/96/598963596.db2.gz GZYHUMWPSWHRME-UHFFFAOYSA-N -1 1 395.448 1.967 20 0 GDADMM CS(=O)(=O)Cc1cccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000737165157 598963599 /nfs/dbraw/zinc/96/35/99/598963599.db2.gz GZYHUMWPSWHRME-UHFFFAOYSA-N -1 1 395.448 1.967 20 0 GDADMM CCOc1cc2c(cc1CNC(=O)c1ccc(-c3nnn[n-]3)nc1)O[C@@H](C)C2 ZINC000736633842 598984735 /nfs/dbraw/zinc/98/47/35/598984735.db2.gz DGHSXSQCWWLNAE-NSHDSACASA-N -1 1 380.408 1.914 20 0 GDADMM CCOc1cc2c(cc1CNC(=O)c1ccc(-c3nn[n-]n3)nc1)O[C@@H](C)C2 ZINC000736633842 598984737 /nfs/dbraw/zinc/98/47/37/598984737.db2.gz DGHSXSQCWWLNAE-NSHDSACASA-N -1 1 380.408 1.914 20 0 GDADMM O=C(Nc1ccccc1)[C@@H]1CSCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738192635 598988465 /nfs/dbraw/zinc/98/84/65/598988465.db2.gz UADUUNWIENZBKY-AWEZNQCLSA-N -1 1 381.421 1.416 20 0 GDADMM O=C(Nc1ccccc1)[C@@H]1CSCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738192635 598988467 /nfs/dbraw/zinc/98/84/67/598988467.db2.gz UADUUNWIENZBKY-AWEZNQCLSA-N -1 1 381.421 1.416 20 0 GDADMM Cc1ccccc1C(=O)NC1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000737414927 598992706 /nfs/dbraw/zinc/99/27/06/598992706.db2.gz HGCJBAXYKHXOSX-UHFFFAOYSA-N -1 1 391.435 1.605 20 0 GDADMM Cc1ccccc1C(=O)NC1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000737414927 598992707 /nfs/dbraw/zinc/99/27/07/598992707.db2.gz HGCJBAXYKHXOSX-UHFFFAOYSA-N -1 1 391.435 1.605 20 0 GDADMM CCO[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C12CCCC2 ZINC000736611137 599008912 /nfs/dbraw/zinc/00/89/12/599008912.db2.gz IUCGCGJMOBGAIP-LSDHHAIUSA-N -1 1 392.485 1.620 20 0 GDADMM CCO[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C12CCCC2 ZINC000736611137 599008914 /nfs/dbraw/zinc/00/89/14/599008914.db2.gz IUCGCGJMOBGAIP-LSDHHAIUSA-N -1 1 392.485 1.620 20 0 GDADMM CCCN([C@@H]1C[C@H](OCC)C1(C)C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736470436 599009071 /nfs/dbraw/zinc/00/90/71/599009071.db2.gz FZKSJPOTXNEYDZ-CABCVRRESA-N -1 1 394.501 1.866 20 0 GDADMM CCCN([C@@H]1C[C@H](OCC)C1(C)C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736470436 599009073 /nfs/dbraw/zinc/00/90/73/599009073.db2.gz FZKSJPOTXNEYDZ-CABCVRRESA-N -1 1 394.501 1.866 20 0 GDADMM Cc1noc2ncc(C(=O)OCC(=O)Nc3oc(C)c(C)c3-c3nn[n-]n3)cc12 ZINC000737550761 599015467 /nfs/dbraw/zinc/01/54/67/599015467.db2.gz CBBCLDKKKYJCPQ-UHFFFAOYSA-N -1 1 397.351 1.717 20 0 GDADMM Cn1cnnc1Sc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737620003 599021618 /nfs/dbraw/zinc/02/16/18/599021618.db2.gz ZYYHZHVQGYSFHL-UHFFFAOYSA-N -1 1 379.409 1.794 20 0 GDADMM Cn1cnnc1Sc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737620003 599021619 /nfs/dbraw/zinc/02/16/19/599021619.db2.gz ZYYHZHVQGYSFHL-UHFFFAOYSA-N -1 1 379.409 1.794 20 0 GDADMM CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000735768569 599030618 /nfs/dbraw/zinc/03/06/18/599030618.db2.gz AHVNFDWAGSQBSP-CYBMUJFWSA-N -1 1 389.460 1.931 20 0 GDADMM CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000735768569 599030620 /nfs/dbraw/zinc/03/06/20/599030620.db2.gz AHVNFDWAGSQBSP-CYBMUJFWSA-N -1 1 389.460 1.931 20 0 GDADMM C[C@H](c1nc(C2CC2)no1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736204834 599030871 /nfs/dbraw/zinc/03/08/71/599030871.db2.gz VUHQVKLMTZIRSB-LLVKDONJSA-N -1 1 395.427 1.041 20 0 GDADMM C[C@H](c1nc(C2CC2)no1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736204834 599030872 /nfs/dbraw/zinc/03/08/72/599030872.db2.gz VUHQVKLMTZIRSB-LLVKDONJSA-N -1 1 395.427 1.041 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCCOC[C@@H]1CCCO1 ZINC000737548929 599035514 /nfs/dbraw/zinc/03/55/14/599035514.db2.gz QVZYKEPRXNCSOY-ZDUSSCGKSA-N -1 1 386.412 1.484 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCCOC[C@@H]1CCCO1 ZINC000737548929 599035517 /nfs/dbraw/zinc/03/55/17/599035517.db2.gz QVZYKEPRXNCSOY-ZDUSSCGKSA-N -1 1 386.412 1.484 20 0 GDADMM NC(=O)[C@H]([NH2+]CCNC(=O)CC1CCCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737734808 599096919 /nfs/dbraw/zinc/09/69/19/599096919.db2.gz BLMOFBXJXMWAQT-QGZVFWFLSA-N -1 1 385.472 1.069 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)NCCc1ccc(F)cc1 ZINC000736159975 599136176 /nfs/dbraw/zinc/13/61/76/599136176.db2.gz ZLPLZNNADOOODO-LLVKDONJSA-N -1 1 384.371 1.305 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)NCCc1ccc(F)cc1 ZINC000736159975 599136178 /nfs/dbraw/zinc/13/61/78/599136178.db2.gz ZLPLZNNADOOODO-LLVKDONJSA-N -1 1 384.371 1.305 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)N1c2ccccc2C[C@H]1C ZINC000736158436 599140575 /nfs/dbraw/zinc/14/05/75/599140575.db2.gz PTZASBFTPQPOKU-VXGBXAGGSA-N -1 1 378.392 1.785 20 0 GDADMM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)N1c2ccccc2C[C@H]1C ZINC000736158436 599140576 /nfs/dbraw/zinc/14/05/76/599140576.db2.gz PTZASBFTPQPOKU-VXGBXAGGSA-N -1 1 378.392 1.785 20 0 GDADMM O=C(CCC(F)(F)F)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000822950347 599142498 /nfs/dbraw/zinc/14/24/98/599142498.db2.gz KQFRBNRFGUDQIL-UHFFFAOYSA-N -1 1 385.350 1.723 20 0 GDADMM CS[C@@H]1CC[C@H](NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C1 ZINC000821949183 599184308 /nfs/dbraw/zinc/18/43/08/599184308.db2.gz FSMOFZZCFUQLNB-NWDGAFQWSA-N -1 1 376.486 1.917 20 0 GDADMM O=C(N[C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823146676 599208533 /nfs/dbraw/zinc/20/85/33/599208533.db2.gz YCWXAMXXJSIUCQ-INMHGKMJSA-N -1 1 389.419 1.149 20 0 GDADMM O=C(N[C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823146676 599208535 /nfs/dbraw/zinc/20/85/35/599208535.db2.gz YCWXAMXXJSIUCQ-INMHGKMJSA-N -1 1 389.419 1.149 20 0 GDADMM COC(C)(C)C[C@H](C)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000736958984 599212172 /nfs/dbraw/zinc/21/21/72/599212172.db2.gz ZIPGIHWUSGZEOT-JTQLQIEISA-N -1 1 376.461 1.837 20 0 GDADMM CC(C)(C)OC(=O)N1CCN2C(=O)N(CN3CCC(C(=O)[O-])CC3)C[C@H]2C1 ZINC000817807833 596925233 /nfs/dbraw/zinc/92/52/33/596925233.db2.gz KPYDSERTORFBGK-CQSZACIVSA-N -1 1 382.461 1.097 20 0 GDADMM C[C@H]1Cc2cc(S(=O)(=O)N(CCN(C)C)CC(=O)[O-])cc(Cl)c2O1 ZINC000535475314 597042065 /nfs/dbraw/zinc/04/20/65/597042065.db2.gz JWXVJMUVIRRITQ-JTQLQIEISA-N -1 1 376.862 1.300 20 0 GDADMM CC(=O)Nc1ccc(S(=O)(=O)CCCN2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000533203326 597085205 /nfs/dbraw/zinc/08/52/05/597085205.db2.gz XVNLCDWKMRENTN-OAHLLOKOSA-N -1 1 382.482 1.996 20 0 GDADMM O=C([O-])C[C@@H]1CCCN(CC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000532882025 597087675 /nfs/dbraw/zinc/08/76/75/597087675.db2.gz VAWJHEAGEXDZTM-ZDUSSCGKSA-N -1 1 391.424 1.683 20 0 GDADMM CN1CCN(c2ccccc2NC(=O)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)CC1 ZINC000818482191 597113469 /nfs/dbraw/zinc/11/34/69/597113469.db2.gz LSLIEFAJIGUJBK-HNNXBMFYSA-N -1 1 388.468 1.090 20 0 GDADMM CN1CCN(c2ccc(CNC(=O)NCc3ccc(C(=O)[O-])cc3)cn2)CC1 ZINC000818481996 597212130 /nfs/dbraw/zinc/21/21/30/597212130.db2.gz CGTJKRMDXZEITP-UHFFFAOYSA-N -1 1 383.452 1.531 20 0 GDADMM O=C([O-])c1ccc(CNC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)cc1 ZINC000819188169 597300604 /nfs/dbraw/zinc/30/06/04/597300604.db2.gz CSLQSIFPJMMYPG-LJQANCHMSA-N -1 1 383.448 1.603 20 0 GDADMM CNS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000327481360 597312690 /nfs/dbraw/zinc/31/26/90/597312690.db2.gz LVERJMMKUKXUKG-UHFFFAOYSA-N -1 1 384.435 1.023 20 0 GDADMM O=C([O-])[C@H]1CN(C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)CCO1 ZINC000738546840 597413826 /nfs/dbraw/zinc/41/38/26/597413826.db2.gz QUHIUNLHZHTQND-HZPDHXFCSA-N -1 1 381.860 1.972 20 0 GDADMM CN1CC[C@H](NC(=O)C(=O)Nc2ccccc2CC(=O)[O-])[C@@H]1c1ccccc1 ZINC000820620185 597420994 /nfs/dbraw/zinc/42/09/94/597420994.db2.gz IQUDXPGEMSFLAT-HKUYNNGSSA-N -1 1 381.432 1.814 20 0 GDADMM C[C@@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)N1CC[C@H](C(=O)[O-])C1 ZINC000262676900 597534217 /nfs/dbraw/zinc/53/42/17/597534217.db2.gz UMTGHTUOUGLRLS-UWVGGRQHSA-N -1 1 385.342 1.786 20 0 GDADMM C[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1cccc(Cl)c1Cl ZINC000736140639 599267775 /nfs/dbraw/zinc/26/77/75/599267775.db2.gz YEXSEVBUUJVXEI-ZETCQYMHSA-N -1 1 396.238 1.744 20 0 GDADMM O=C(O[C@@H]1CNC(=O)C1)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000823521167 607323106 /nfs/dbraw/zinc/32/31/06/607323106.db2.gz RIKFTKUSSPKHLG-LBPRGKRZSA-N -1 1 383.339 1.843 20 0 GDADMM O=C(O[C@@H]1CNC(=O)C1)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000823521167 607323107 /nfs/dbraw/zinc/32/31/07/607323107.db2.gz RIKFTKUSSPKHLG-LBPRGKRZSA-N -1 1 383.339 1.843 20 0 GDADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OC[C@@H]2CCC[N@@H+]2CC(=O)[O-])o1 ZINC000819914717 598062879 /nfs/dbraw/zinc/06/28/79/598062879.db2.gz CYRXRBAOMRRPGO-NSHDSACASA-N -1 1 388.442 1.062 20 0 GDADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OC[C@@H]2CCC[N@H+]2CC(=O)[O-])o1 ZINC000819914717 598062883 /nfs/dbraw/zinc/06/28/83/598062883.db2.gz CYRXRBAOMRRPGO-NSHDSACASA-N -1 1 388.442 1.062 20 0 GDADMM Fc1cccc(Sc2nnc(N3CCOCC3)n2C2CC2)c1-c1nn[n-]n1 ZINC000737664623 598237223 /nfs/dbraw/zinc/23/72/23/598237223.db2.gz MFHCFVIGIDCWLA-UHFFFAOYSA-N -1 1 388.432 1.920 20 0 GDADMM CCN(CCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000736537734 598261568 /nfs/dbraw/zinc/26/15/68/598261568.db2.gz QDDIGZXZSJCZLB-UHFFFAOYSA-N -1 1 387.469 1.457 20 0 GDADMM CCN(CCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000736537734 598261570 /nfs/dbraw/zinc/26/15/70/598261570.db2.gz QDDIGZXZSJCZLB-UHFFFAOYSA-N -1 1 387.469 1.457 20 0 GDADMM CN(Cc1cnn(-c2ccccc2)c1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736830562 598261984 /nfs/dbraw/zinc/26/19/84/598261984.db2.gz WTWUOQZSZBPQMG-UHFFFAOYSA-N -1 1 396.436 1.268 20 0 GDADMM CN(Cc1cnn(-c2ccccc2)c1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736830562 598261986 /nfs/dbraw/zinc/26/19/86/598261986.db2.gz WTWUOQZSZBPQMG-UHFFFAOYSA-N -1 1 396.436 1.268 20 0 GDADMM O=S(=O)(N[C@H]1CCSc2c(F)cccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000738343496 598266066 /nfs/dbraw/zinc/26/60/66/598266066.db2.gz PTUGUZFUKCYTLG-LBPRGKRZSA-N -1 1 392.441 1.916 20 0 GDADMM O=S(=O)(N[C@H]1CCSc2c(F)cccc21)c1ccc(-c2nn[n-]n2)nc1 ZINC000738343496 598266067 /nfs/dbraw/zinc/26/60/67/598266067.db2.gz PTUGUZFUKCYTLG-LBPRGKRZSA-N -1 1 392.441 1.916 20 0 GDADMM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@@H](c2ccccc2)O1 ZINC000736291276 598268759 /nfs/dbraw/zinc/26/87/59/598268759.db2.gz VANXYTXPHHZLSW-LRDDRELGSA-N -1 1 386.437 1.412 20 0 GDADMM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C[C@@H](c2ccccc2)O1 ZINC000736291276 598268760 /nfs/dbraw/zinc/26/87/60/598268760.db2.gz VANXYTXPHHZLSW-LRDDRELGSA-N -1 1 386.437 1.412 20 0 GDADMM CCCN(Cc1ccc(OC)cc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736479854 598270171 /nfs/dbraw/zinc/27/01/71/598270171.db2.gz KBLXEEIYFQVSSX-UHFFFAOYSA-N -1 1 388.453 1.871 20 0 GDADMM CCCN(Cc1ccc(OC)cc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736479854 598270172 /nfs/dbraw/zinc/27/01/72/598270172.db2.gz KBLXEEIYFQVSSX-UHFFFAOYSA-N -1 1 388.453 1.871 20 0 GDADMM Cc1nn(CC(=O)c2cccc(N3CCCC3=O)c2)c(=O)c(-c2nn[n-]n2)c1C ZINC000737513839 598310196 /nfs/dbraw/zinc/31/01/96/598310196.db2.gz VUSZHCODQVTOCP-UHFFFAOYSA-N -1 1 393.407 1.050 20 0 GDADMM Cc1cc(Br)ccc1NC(=O)CNc1nccnc1-c1nnn[n-]1 ZINC000737232191 598337649 /nfs/dbraw/zinc/33/76/49/598337649.db2.gz YSQDRAPNUMAGGG-UHFFFAOYSA-N -1 1 389.217 1.778 20 0 GDADMM Cc1cc(Br)ccc1NC(=O)CNc1nccnc1-c1nn[n-]n1 ZINC000737232191 598337651 /nfs/dbraw/zinc/33/76/51/598337651.db2.gz YSQDRAPNUMAGGG-UHFFFAOYSA-N -1 1 389.217 1.778 20 0 GDADMM Brc1cccc([C@H]2CN(c3nccnc3-c3nnn[n-]3)CCO2)c1 ZINC000735368149 598348822 /nfs/dbraw/zinc/34/88/22/598348822.db2.gz GLLUWIKDBSUCEE-GFCCVEGCSA-N -1 1 388.229 1.997 20 0 GDADMM Brc1cccc([C@H]2CN(c3nccnc3-c3nn[n-]n3)CCO2)c1 ZINC000735368149 598348823 /nfs/dbraw/zinc/34/88/23/598348823.db2.gz GLLUWIKDBSUCEE-GFCCVEGCSA-N -1 1 388.229 1.997 20 0 GDADMM CCc1nn(C[C@H](O)c2cc(F)ccc2F)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706410 598374416 /nfs/dbraw/zinc/37/44/16/598374416.db2.gz WCZKTTOMJBOFBD-AWEZNQCLSA-N -1 1 376.367 1.560 20 0 GDADMM CCc1nn(Cc2nc(-c3ccc(C)cc3)no2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706965 598379447 /nfs/dbraw/zinc/37/94/47/598379447.db2.gz NGZVZXSXRSYCSX-UHFFFAOYSA-N -1 1 392.423 1.955 20 0 GDADMM O=C(CN(CC(F)F)C1CC1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000737861583 598405671 /nfs/dbraw/zinc/40/56/71/598405671.db2.gz GIELORKXQSKNRY-UHFFFAOYSA-N -1 1 388.382 1.720 20 0 GDADMM O=C(CN(CC(F)F)C1CC1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737861583 598405673 /nfs/dbraw/zinc/40/56/73/598405673.db2.gz GIELORKXQSKNRY-UHFFFAOYSA-N -1 1 388.382 1.720 20 0 GDADMM CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)n1ncc(-c3nn[n-]n3)c1N)O[C@H](C)C2 ZINC000736636101 598429604 /nfs/dbraw/zinc/42/96/04/598429604.db2.gz NZPMGEMQTDJVLU-CDMKHQONSA-N -1 1 395.423 1.811 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N(C)Cc2scnc2C)cc1-c1nn[n-]n1 ZINC000737185775 598542159 /nfs/dbraw/zinc/54/21/59/598542159.db2.gz CIGVSMYNRNHBCW-UHFFFAOYSA-N -1 1 377.455 1.726 20 0 GDADMM O=C1OC(c2cc(F)cc(F)c2)=NC1=Cc1cnc2c(-c3nnn[n-]3)cnn2c1 ZINC000738318617 598567440 /nfs/dbraw/zinc/56/74/40/598567440.db2.gz LIESXUNNMORQOB-ATVWYZQASA-N -1 1 394.301 1.532 20 0 GDADMM O=C1OC(c2cc(F)cc(F)c2)=NC1=Cc1cnc2c(-c3nn[n-]n3)cnn2c1 ZINC000738318617 598567442 /nfs/dbraw/zinc/56/74/42/598567442.db2.gz LIESXUNNMORQOB-ATVWYZQASA-N -1 1 394.301 1.532 20 0 GDADMM NC(=O)[C@H](c1ccccc1)N1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000737737324 598573627 /nfs/dbraw/zinc/57/36/27/598573627.db2.gz BYQKOWOSXWNABJ-INIZCTEOSA-N -1 1 398.858 1.264 20 0 GDADMM NC(=O)[C@H](c1ccccc1)N1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000737737324 598573629 /nfs/dbraw/zinc/57/36/29/598573629.db2.gz BYQKOWOSXWNABJ-INIZCTEOSA-N -1 1 398.858 1.264 20 0 GDADMM CCNC(=O)NCCCOC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000736575892 598584685 /nfs/dbraw/zinc/58/46/85/598584685.db2.gz MECZENWLNGFRRR-UHFFFAOYSA-N -1 1 387.400 1.425 20 0 GDADMM CCNC(=O)NCCCOC(=O)c1c(C)oc(-n2cccc2)c1-c1nn[n-]n1 ZINC000736575892 598584686 /nfs/dbraw/zinc/58/46/86/598584686.db2.gz MECZENWLNGFRRR-UHFFFAOYSA-N -1 1 387.400 1.425 20 0 GDADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[nH]n3)c2)cc1 ZINC000736603401 598594777 /nfs/dbraw/zinc/59/47/77/598594777.db2.gz VPHZRQINVSLLTO-UHFFFAOYSA-N -1 1 391.384 1.983 20 0 GDADMM Cc1cc(N2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)ncn1 ZINC000737270184 598639433 /nfs/dbraw/zinc/63/94/33/598639433.db2.gz BUARDRGMBAHCNL-UHFFFAOYSA-N -1 1 379.384 1.540 20 0 GDADMM CCCCN(CCCC)C(=O)Cn1nc(CC)c(CC)c(-c2nn[n-]n2)c1=O ZINC000736456896 598640467 /nfs/dbraw/zinc/64/04/67/598640467.db2.gz MGQDGTSZBGUTFY-UHFFFAOYSA-N -1 1 389.504 1.977 20 0 GDADMM CCc1nn(Cc2nnc(-c3ccccc3)n2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705876 598642242 /nfs/dbraw/zinc/64/22/42/598642242.db2.gz CDMAYBBBRBRDLW-UHFFFAOYSA-N -1 1 391.439 1.392 20 0 GDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC000737769639 598700735 /nfs/dbraw/zinc/70/07/35/598700735.db2.gz ANVIVPVFVRLYPM-UHFFFAOYSA-N -1 1 382.365 1.186 20 0 GDADMM C[C@@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737194923 598710881 /nfs/dbraw/zinc/71/08/81/598710881.db2.gz VUSJGFUAGJVTAJ-CQSZACIVSA-N -1 1 399.480 1.157 20 0 GDADMM C[C@@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737194923 598710882 /nfs/dbraw/zinc/71/08/82/598710882.db2.gz VUSJGFUAGJVTAJ-CQSZACIVSA-N -1 1 399.480 1.157 20 0 GDADMM O=c1c(-c2nn[n-]n2)cn(CCn2cccn2)c2ccc(Br)cc12 ZINC000738372907 598723662 /nfs/dbraw/zinc/72/36/62/598723662.db2.gz YKCOHUDLYNEAPY-UHFFFAOYSA-N -1 1 386.213 1.841 20 0 GDADMM O=c1[nH]ncc(N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)c1Cl ZINC000738371973 598745679 /nfs/dbraw/zinc/74/56/79/598745679.db2.gz MHGLWDOTECGXOO-UHFFFAOYSA-N -1 1 389.807 1.208 20 0 GDADMM O[C@H](CNc1ccc(Cl)c(-c2nnn[n-]2)n1)COc1ccc2c(c1)OCO2 ZINC000738380762 598746612 /nfs/dbraw/zinc/74/66/12/598746612.db2.gz CRRZLVXFKIIMIN-SECBINFHSA-N -1 1 390.787 1.496 20 0 GDADMM O[C@H](CNc1ccc(Cl)c(-c2nn[n-]n2)n1)COc1ccc2c(c1)OCO2 ZINC000738380762 598746613 /nfs/dbraw/zinc/74/66/13/598746613.db2.gz CRRZLVXFKIIMIN-SECBINFHSA-N -1 1 390.787 1.496 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CC(Oc3ccccc3)C2)cc1-c1nn[n-]n1 ZINC000737187280 598777883 /nfs/dbraw/zinc/77/78/83/598777883.db2.gz PLDQUXOWVKGIQP-UHFFFAOYSA-N -1 1 384.421 1.593 20 0 GDADMM CCCCC[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccccc1 ZINC000736440714 598816323 /nfs/dbraw/zinc/81/63/23/598816323.db2.gz FUXQJQHGJKMJRH-CQSZACIVSA-N -1 1 383.456 1.998 20 0 GDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@H]1CCCN(c2ncnc3sccc32)C1 ZINC000822904257 599317703 /nfs/dbraw/zinc/31/77/03/599317703.db2.gz UMTYATGRWOLGCP-VIFPVBQESA-N -1 1 396.440 1.207 20 0 GDADMM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)n2ncc(-c3nn[n-]n3)c2N)C1 ZINC000819939871 599318038 /nfs/dbraw/zinc/31/80/38/599318038.db2.gz LDAYOXRSLFTIRJ-VHSXEESVSA-N -1 1 376.421 1.369 20 0 GDADMM CC(=O)NC[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000819803240 599339793 /nfs/dbraw/zinc/33/97/93/599339793.db2.gz LRIMKCCMWXYQFN-LLVKDONJSA-N -1 1 398.876 1.057 20 0 GDADMM Cc1ccc([C@@H]2COCCN2S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)o1 ZINC000822233761 599345621 /nfs/dbraw/zinc/34/56/21/599345621.db2.gz UPWPEEYVEKDITL-LBPRGKRZSA-N -1 1 393.400 1.669 20 0 GDADMM Cc1ccc([C@@H]2COCCN2S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)o1 ZINC000822233761 599345624 /nfs/dbraw/zinc/34/56/24/599345624.db2.gz UPWPEEYVEKDITL-LBPRGKRZSA-N -1 1 393.400 1.669 20 0 GDADMM C[C@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)Oc1ccc(F)cc1 ZINC000820276772 599364832 /nfs/dbraw/zinc/36/48/32/599364832.db2.gz YTTQTIQOBOZKLE-SNVBAGLBSA-N -1 1 378.389 1.147 20 0 GDADMM C[C@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)Oc1ccc(F)cc1 ZINC000820276772 599364835 /nfs/dbraw/zinc/36/48/35/599364835.db2.gz YTTQTIQOBOZKLE-SNVBAGLBSA-N -1 1 378.389 1.147 20 0 GDADMM CC[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1c(C)nn(C)c1C ZINC000820925364 599368781 /nfs/dbraw/zinc/36/87/81/599368781.db2.gz HVYMZVHZLVWBRU-GFCCVEGCSA-N -1 1 376.446 1.042 20 0 GDADMM CC[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1c(C)nn(C)c1C ZINC000820925364 599368784 /nfs/dbraw/zinc/36/87/84/599368784.db2.gz HVYMZVHZLVWBRU-GFCCVEGCSA-N -1 1 376.446 1.042 20 0 GDADMM CSCC[C@H](C)NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000737180341 599382941 /nfs/dbraw/zinc/38/29/41/599382941.db2.gz FOTKUCAOODLHSV-JTQLQIEISA-N -1 1 388.501 1.717 20 0 GDADMM CSCC[C@H](C)NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000737180341 599382943 /nfs/dbraw/zinc/38/29/43/599382943.db2.gz FOTKUCAOODLHSV-JTQLQIEISA-N -1 1 388.501 1.717 20 0 GDADMM Cc1ccc(NC(=O)CN2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)cc1 ZINC000737355884 599397368 /nfs/dbraw/zinc/39/73/68/599397368.db2.gz AQYHTJUUDKYUIZ-UHFFFAOYSA-N -1 1 378.440 1.331 20 0 GDADMM Cc1ccc(NC(=O)CN2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)cc1 ZINC000737355884 599397372 /nfs/dbraw/zinc/39/73/72/599397372.db2.gz AQYHTJUUDKYUIZ-UHFFFAOYSA-N -1 1 378.440 1.331 20 0 GDADMM Cc1cccc(CCC(=O)N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)c1 ZINC000737391425 599435410 /nfs/dbraw/zinc/43/54/10/599435410.db2.gz BCCRDFVDRFOPIC-UHFFFAOYSA-N -1 1 377.452 1.852 20 0 GDADMM Cc1cccc(CCC(=O)N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)c1 ZINC000737391425 599435414 /nfs/dbraw/zinc/43/54/14/599435414.db2.gz BCCRDFVDRFOPIC-UHFFFAOYSA-N -1 1 377.452 1.852 20 0 GDADMM CCc1ccc([C@H]2COCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)o1 ZINC000736682907 599449183 /nfs/dbraw/zinc/44/91/83/599449183.db2.gz CCWVYLKPSCAWQC-CQSZACIVSA-N -1 1 390.425 1.179 20 0 GDADMM CCc1ccc([C@H]2COCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)o1 ZINC000736682907 599449185 /nfs/dbraw/zinc/44/91/85/599449185.db2.gz CCWVYLKPSCAWQC-CQSZACIVSA-N -1 1 390.425 1.179 20 0 GDADMM CSC[C@H](C)NC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000737176312 599455814 /nfs/dbraw/zinc/45/58/14/599455814.db2.gz MMIBYDKACWVRRL-JTQLQIEISA-N -1 1 392.489 1.315 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@](C)(O)CCC(C)C ZINC000822004953 599489341 /nfs/dbraw/zinc/48/93/41/599489341.db2.gz MIZGMLUCROLPJE-LJQANCHMSA-N -1 1 390.488 1.820 20 0 GDADMM CCCCN1C(=S)N[C@H](c2ccc(-c3nnn[n-]3)o2)C(C(=O)N(C)C)=C1C ZINC000821065689 599492228 /nfs/dbraw/zinc/49/22/28/599492228.db2.gz LULOHFPOVMOYCC-CQSZACIVSA-N -1 1 389.485 1.853 20 0 GDADMM CCCCN1C(=S)N[C@H](c2ccc(-c3nn[n-]n3)o2)C(C(=O)N(C)C)=C1C ZINC000821065689 599492230 /nfs/dbraw/zinc/49/22/30/599492230.db2.gz LULOHFPOVMOYCC-CQSZACIVSA-N -1 1 389.485 1.853 20 0 GDADMM c1nnc2ccc(N3CCN(c4cc(-c5nnn[n-]5)nc5ccccc54)CC3)nn12 ZINC000823797005 599532871 /nfs/dbraw/zinc/53/28/71/599532871.db2.gz KPROQFRHYGPWQR-UHFFFAOYSA-N -1 1 399.422 1.179 20 0 GDADMM c1nnc2ccc(N3CCN(c4cc(-c5nn[n-]n5)nc5ccccc54)CC3)nn12 ZINC000823797005 599532872 /nfs/dbraw/zinc/53/28/72/599532872.db2.gz KPROQFRHYGPWQR-UHFFFAOYSA-N -1 1 399.422 1.179 20 0 GDADMM Cc1ccc(CN2CCOCC2)cc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737342652 599550957 /nfs/dbraw/zinc/55/09/57/599550957.db2.gz RZTDRSJAYHCLND-UHFFFAOYSA-N -1 1 379.424 1.655 20 0 GDADMM Cc1ccc(CN2CCOCC2)cc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737342652 599550959 /nfs/dbraw/zinc/55/09/59/599550959.db2.gz RZTDRSJAYHCLND-UHFFFAOYSA-N -1 1 379.424 1.655 20 0 GDADMM CC[C@H](C(=O)OC)N1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000820848148 599635775 /nfs/dbraw/zinc/63/57/75/599635775.db2.gz ROIUNJOFIRHFKR-LLVKDONJSA-N -1 1 387.400 1.188 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(N2CCOC2=O)cc1 ZINC000823027651 599661849 /nfs/dbraw/zinc/66/18/49/599661849.db2.gz ZDZILSJAOKBUQH-UHFFFAOYSA-N -1 1 394.347 1.258 20 0 GDADMM O=C(COC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(N2CCOC2=O)cc1 ZINC000823027651 599661850 /nfs/dbraw/zinc/66/18/50/599661850.db2.gz ZDZILSJAOKBUQH-UHFFFAOYSA-N -1 1 394.347 1.258 20 0 GDADMM C[C@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C[C@H](C(F)(F)F)O1 ZINC000820768757 599682930 /nfs/dbraw/zinc/68/29/30/599682930.db2.gz PFLKCIMFEWHJKO-WRWORJQWSA-N -1 1 395.338 1.346 20 0 GDADMM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)c(O)c1 ZINC000823387037 599695427 /nfs/dbraw/zinc/69/54/27/599695427.db2.gz BMUUMAWHUNWDOT-UHFFFAOYSA-N -1 1 395.784 1.725 20 0 GDADMM COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000737687011 599781119 /nfs/dbraw/zinc/78/11/19/599781119.db2.gz BIEDPEYJJVSFSI-CQSZACIVSA-N -1 1 396.465 1.420 20 0 GDADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000736653320 599855202 /nfs/dbraw/zinc/85/52/02/599855202.db2.gz ZDJRVZFQSPCOKI-LLVKDONJSA-N -1 1 382.376 1.783 20 0 GDADMM Cn1c(=O)c2ccc(C(=O)N[C@H](Cc3ccccc3)C(=O)[O-])cc2[nH]c1=S ZINC000739013763 599856206 /nfs/dbraw/zinc/85/62/06/599856206.db2.gz JPBNIPJLVBTBFX-OAHLLOKOSA-N -1 1 383.429 1.648 20 0 GDADMM CN(C)[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)C1 ZINC000062966741 599876917 /nfs/dbraw/zinc/87/69/17/599876917.db2.gz SWDSNIJQSOUMOZ-JTQLQIEISA-N -1 1 377.260 1.472 20 0 GDADMM COc1ccnc(N2CCN(C(=O)C(=O)Nc3ccc(NC(=O)[O-])cc3)CC2)c1 ZINC000738126783 599906976 /nfs/dbraw/zinc/90/69/76/599906976.db2.gz KSIZDATWPAJUJW-UHFFFAOYSA-N -1 1 399.407 1.467 20 0 GDADMM COc1c(C)cnc(CN2CCC(N(C)C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)c1C ZINC000737840462 599923701 /nfs/dbraw/zinc/92/37/01/599923701.db2.gz UPOIIICSIDAEIO-JKSUJKDBSA-N -1 1 375.469 1.851 20 0 GDADMM O=C([O-])[C@H]1CN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)CCO1 ZINC000263048774 599945965 /nfs/dbraw/zinc/94/59/65/599945965.db2.gz WOXMWCLKIIVSFP-CYBMUJFWSA-N -1 1 380.198 1.765 20 0 GDADMM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC(N(C)c2cccnn2)CC1 ZINC000736205362 599955943 /nfs/dbraw/zinc/95/59/43/599955943.db2.gz NSMKUZFXDKLYSD-AWEZNQCLSA-N -1 1 375.473 1.089 20 0 GDADMM Cc1ccc(N(C)C2CCN([C@H](C)C(=O)N3CCC(C(=O)[O-])CC3)CC2)nn1 ZINC000738279785 599957378 /nfs/dbraw/zinc/95/73/78/599957378.db2.gz KQFUXOQOMDZXNW-OAHLLOKOSA-N -1 1 389.500 1.397 20 0 GDADMM Cc1csc(N2CCN(CCCN3C(=O)CS/C3=C\C(=O)[O-])C[C@H]2C)n1 ZINC000738816315 599958931 /nfs/dbraw/zinc/95/89/31/599958931.db2.gz QYDAWGVXVOBYRQ-ATDKOCKZSA-N -1 1 396.538 1.854 20 0 GDADMM CCOc1cc(C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)ccc1OCC(=O)[O-] ZINC000737187554 600002172 /nfs/dbraw/zinc/00/21/72/600002172.db2.gz WYMUMUVLBDXWBR-HOTGVXAUSA-N -1 1 392.452 1.220 20 0 GDADMM COc1cc(C(=O)[O-])ccc1OC[C@@H](O)CN1CCC[C@H]1c1cnn(C)c1 ZINC000737864244 600005774 /nfs/dbraw/zinc/00/57/74/600005774.db2.gz GCKGLYVLSVSNBO-HOTGVXAUSA-N -1 1 375.425 1.704 20 0 GDADMM NC(=O)C[C@H]1CCCCN1CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000739158522 600031007 /nfs/dbraw/zinc/03/10/07/600031007.db2.gz BQLWXUXFTUJKTE-RHSMWYFYSA-N -1 1 386.452 1.010 20 0 GDADMM O=C([O-])c1ccc2c(c1)CN(CCC(=O)N1CCN(c3ncccn3)CC1)C2 ZINC000740201935 600081347 /nfs/dbraw/zinc/08/13/47/600081347.db2.gz CKVDTSMEKLZCTB-UHFFFAOYSA-N -1 1 381.436 1.229 20 0 GDADMM Cc1[nH]c(C(=O)[C@@H](C)N2CCC(CN3CCOCC3)CC2)c(C)c1C(=O)[O-] ZINC000738235461 600101535 /nfs/dbraw/zinc/10/15/35/600101535.db2.gz IMQCONXGUSHZDP-OAHLLOKOSA-N -1 1 377.485 1.945 20 0 GDADMM CC(C)N1CCO[C@@H](CN2CCN(C(=O)c3cccc(C(=O)[O-])c3)CC2)C1 ZINC000583564551 600116919 /nfs/dbraw/zinc/11/69/19/600116919.db2.gz VTXQQAQKCUCUEN-SFHVURJKSA-N -1 1 375.469 1.252 20 0 GDADMM CCCN(CC(=O)Nc1ccccc1OC)C(=O)CN1CCC[C@@H](C(=O)[O-])C1 ZINC000262660745 600137257 /nfs/dbraw/zinc/13/72/57/600137257.db2.gz LPRUEAFCSYLYSP-OAHLLOKOSA-N -1 1 391.468 1.669 20 0 GDADMM C[C@H](CO)NC(=O)c1ccc(NS(=O)(=O)c2ccsc2C(=O)[O-])cc1 ZINC000736607651 600169623 /nfs/dbraw/zinc/16/96/23/600169623.db2.gz YMIKFIDWZBHAFU-SECBINFHSA-N -1 1 384.435 1.358 20 0 GDADMM O=C([O-])[C@H]1C[C@@H]1C(=O)OCC(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000739323564 600192031 /nfs/dbraw/zinc/19/20/31/600192031.db2.gz VRWCPPJUAVQYTK-GJZGRUSLSA-N -1 1 378.450 1.438 20 0 GDADMM NC(=O)NCc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC000739169811 600234270 /nfs/dbraw/zinc/23/42/70/600234270.db2.gz NDJZGFKFRBPHMF-UHFFFAOYSA-N -1 1 385.348 1.632 20 0 GDADMM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000737568118 600241906 /nfs/dbraw/zinc/24/19/06/600241906.db2.gz UMABDEYXAYLKLC-YOEHRIQHSA-N -1 1 376.453 1.462 20 0 GDADMM COCCN1CC[C@H](NC(=O)N2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)C1 ZINC000737810807 600268100 /nfs/dbraw/zinc/26/81/00/600268100.db2.gz VLSRFTRVQMWRNN-RDJZCZTQSA-N -1 1 390.484 1.326 20 0 GDADMM COc1cccc(CN(C)C(=O)CN2CCC3(C[C@H]3C(=O)[O-])CC2)c1OC ZINC000738096728 600311723 /nfs/dbraw/zinc/31/17/23/600311723.db2.gz ITMYAEJJUUXSDI-HNNXBMFYSA-N -1 1 376.453 1.849 20 0 GDADMM O=C([O-])NCc1ccc(NC(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000739988985 600353005 /nfs/dbraw/zinc/35/30/05/600353005.db2.gz XTIFWZDPPQOUIO-LJQANCHMSA-N -1 1 398.463 1.995 20 0 GDADMM O=C([O-])NCc1ccc(NC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)cc1 ZINC000739988985 600353006 /nfs/dbraw/zinc/35/30/06/600353006.db2.gz XTIFWZDPPQOUIO-LJQANCHMSA-N -1 1 398.463 1.995 20 0 GDADMM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C[C@H](O)CN1CCCC1=O)CC2 ZINC000737905522 600374259 /nfs/dbraw/zinc/37/42/59/600374259.db2.gz KJRLDNDKQNZABP-GOEBONIOSA-N -1 1 392.452 1.061 20 0 GDADMM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000736206892 600433676 /nfs/dbraw/zinc/43/36/76/600433676.db2.gz ZSQUYGJGQBHEPU-HOCLYGCPSA-N -1 1 385.468 1.620 20 0 GDADMM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N(C)C[C@H](O)COCc1ccccc1 ZINC000736199541 600441871 /nfs/dbraw/zinc/44/18/71/600441871.db2.gz JMHUPEQFPYOHIW-QAPCUYQASA-N -1 1 378.469 1.208 20 0 GDADMM Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738228846 600454590 /nfs/dbraw/zinc/45/45/90/600454590.db2.gz COYVZGJMVCRSKT-HNNXBMFYSA-N -1 1 398.350 1.998 20 0 GDADMM Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)N(C)c1nc(CC(=O)[O-])cs1 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1.095 20 0 GDADMM C[C@]1(c2cc3ccccc3o2)NC(=O)N(Cc2ccnc(-c3nnn[n-]3)c2)C1=O ZINC000824844151 607541855 /nfs/dbraw/zinc/54/18/55/607541855.db2.gz QQGPJYCYOZGDNI-LJQANCHMSA-N -1 1 389.375 1.975 20 0 GDADMM C[C@]1(c2cc3ccccc3o2)NC(=O)N(Cc2ccnc(-c3nn[n-]n3)c2)C1=O ZINC000824844151 607541857 /nfs/dbraw/zinc/54/18/57/607541857.db2.gz QQGPJYCYOZGDNI-LJQANCHMSA-N -1 1 389.375 1.975 20 0 GDADMM CN(C(=O)[O-])[C@@H]1CCCN(C(=O)NCc2ccc(N3CCN(C)CC3)nc2)C1 ZINC000739735657 602074922 /nfs/dbraw/zinc/07/49/22/602074922.db2.gz BVLNXFXJJXSHIN-MRXNPFEDSA-N -1 1 390.488 1.117 20 0 GDADMM C[C@]1(c2ccc(F)cc2F)NC(=O)N(Cc2ccnc(-c3nnn[n-]3)c2)C1=O ZINC000824844025 607543302 /nfs/dbraw/zinc/54/33/02/607543302.db2.gz MPPYPSXPUKBFNU-QGZVFWFLSA-N -1 1 385.334 1.507 20 0 GDADMM C[C@]1(c2ccc(F)cc2F)NC(=O)N(Cc2ccnc(-c3nn[n-]n3)c2)C1=O ZINC000824844025 607543303 /nfs/dbraw/zinc/54/33/03/607543303.db2.gz MPPYPSXPUKBFNU-QGZVFWFLSA-N -1 1 385.334 1.507 20 0 GDADMM O=C([O-])Cc1cccc(NC(=O)C(=O)N2CCN(CC3CCCCC3)CC2)c1 ZINC000518752810 602123777 /nfs/dbraw/zinc/12/37/77/602123777.db2.gz UQBRXGONILAURE-UHFFFAOYSA-N -1 1 387.480 1.977 20 0 GDADMM COc1ccnc(N2CCN(C(=O)C(=O)Nc3cccc(CC(=O)[O-])c3)CC2)c1 ZINC000571431330 602125345 /nfs/dbraw/zinc/12/53/45/602125345.db2.gz YXOXTPWJFYLCLB-UHFFFAOYSA-N -1 1 398.419 1.005 20 0 GDADMM C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CCN1C ZINC000828168779 602158326 /nfs/dbraw/zinc/15/83/26/602158326.db2.gz QSZCOVPNHFOSGB-BDAKNGLRSA-N -1 1 395.275 1.844 20 0 GDADMM CCN(CCC(=O)[O-])CC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F ZINC000829701819 602201347 /nfs/dbraw/zinc/20/13/47/602201347.db2.gz QMLBKETYWPWINN-UHFFFAOYSA-N -1 1 376.392 1.414 20 0 GDADMM COc1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000832034564 602203700 /nfs/dbraw/zinc/20/37/00/602203700.db2.gz YQHQFYXTQRLHSE-UHFFFAOYSA-N -1 1 383.378 1.917 20 0 GDADMM O=C([O-])N1CCC[C@H]1C1CCN(CC2=Nc3ccccc3S(=O)(=O)N2)CC1 ZINC000740514506 602375534 /nfs/dbraw/zinc/37/55/34/602375534.db2.gz CHZMHJKHNUPLHG-HNNXBMFYSA-N -1 1 392.481 1.863 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc2occc2[nH]1 ZINC000825001352 607570212 /nfs/dbraw/zinc/57/02/12/607570212.db2.gz ZQLULRDOHAOCHT-SNVBAGLBSA-N -1 1 379.384 1.082 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc2occc2[nH]1 ZINC000825001352 607570213 /nfs/dbraw/zinc/57/02/13/607570213.db2.gz ZQLULRDOHAOCHT-SNVBAGLBSA-N -1 1 379.384 1.082 20 0 GDADMM COc1ccc(OC)c([C@@H](C)NC(=O)CN2CC[C@H](CN(C)C(=O)[O-])C2)c1 ZINC000739931441 602536851 /nfs/dbraw/zinc/53/68/51/602536851.db2.gz QEHWUACOXWBDQC-ZIAGYGMSSA-N -1 1 379.457 1.813 20 0 GDADMM C[C@@H]1CN(Cc2ccc(CNC(=O)N[C@@H]3CCN(C(=O)[O-])C3)cc2)C[C@@H](C)O1 ZINC000739186571 602584461 /nfs/dbraw/zinc/58/44/61/602584461.db2.gz SXXKGAAQLFONNJ-IIDMSEBBSA-N -1 1 390.484 1.847 20 0 GDADMM Cc1[nH]ncc1CCCNC(=O)C(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2 ZINC000740030771 602641373 /nfs/dbraw/zinc/64/13/73/602641373.db2.gz JUSOHWKSCTVGTB-UHFFFAOYSA-N -1 1 385.424 1.442 20 0 GDADMM Cc1cccc(OCCNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826300387 607578885 /nfs/dbraw/zinc/57/88/85/607578885.db2.gz SRADAMXPBHFHAH-UHFFFAOYSA-N -1 1 377.401 1.672 20 0 GDADMM Cc1cccc(OCCNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826300387 607578886 /nfs/dbraw/zinc/57/88/86/607578886.db2.gz SRADAMXPBHFHAH-UHFFFAOYSA-N -1 1 377.401 1.672 20 0 GDADMM O=C([O-])N1CCC[C@H](CCNC(=O)CCNC(=O)c2n[nH]c3ccccc32)C1 ZINC000740356673 602652839 /nfs/dbraw/zinc/65/28/39/602652839.db2.gz MVXVAVIKKKEVMA-CYBMUJFWSA-N -1 1 387.440 1.579 20 0 GDADMM COc1ccc(C)cc1CCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826190158 607580131 /nfs/dbraw/zinc/58/01/31/607580131.db2.gz RNJAVFOVJQFILE-UHFFFAOYSA-N -1 1 391.428 1.844 20 0 GDADMM O=C([O-])N1CC[C@@H](CCNC(=O)NCC2(N3CCOCC3)CCCCC2)C1 ZINC000740428992 602692575 /nfs/dbraw/zinc/69/25/75/602692575.db2.gz QYMBGAONVXDQOU-MRXNPFEDSA-N -1 1 382.505 1.711 20 0 GDADMM C[C@H](NC(=O)c1ccnc(N2CCN(C)CC2)c1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000739029808 602710542 /nfs/dbraw/zinc/71/05/42/602710542.db2.gz XTSXRLZUAJHADG-HOCLYGCPSA-N -1 1 375.473 1.342 20 0 GDADMM O=S(=O)(NC[C@@H]1COc2ccccc2O1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826490702 607578091 /nfs/dbraw/zinc/57/80/91/607578091.db2.gz DORMHHUPWJGKFV-LLVKDONJSA-N -1 1 391.384 1.124 20 0 GDADMM Cc1csc(CCNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)n1 ZINC000826320949 607583911 /nfs/dbraw/zinc/58/39/11/607583911.db2.gz LQCRCWAGRKMHHU-UHFFFAOYSA-N -1 1 384.874 1.806 20 0 GDADMM Cc1csc(CCNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)n1 ZINC000826320949 607583913 /nfs/dbraw/zinc/58/39/13/607583913.db2.gz LQCRCWAGRKMHHU-UHFFFAOYSA-N -1 1 384.874 1.806 20 0 GDADMM C[C@H]1CN(C(=O)[O-])CCN1C(=O)N[C@H](CN1CCN(C)CC1)c1ccccc1 ZINC000739155896 602756147 /nfs/dbraw/zinc/75/61/47/602756147.db2.gz UEYNRKBTRVTVDE-FUHWJXTLSA-N -1 1 389.500 1.369 20 0 GDADMM Cc1cccc(CN2CCN(C(=O)CN3CC[C@@H](NC(=O)[O-])[C@H](C)C3)CC2)c1 ZINC000740172163 602770412 /nfs/dbraw/zinc/77/04/12/602770412.db2.gz XLWOXDOMUBPXRZ-IEBWSBKVSA-N -1 1 388.512 1.617 20 0 GDADMM CC(C)N(C)C(=O)C1CCN(C(=O)CN2CC[C@H](NC(=O)[O-])[C@H](C)C2)CC1 ZINC000739172325 602785033 /nfs/dbraw/zinc/78/50/33/602785033.db2.gz LHBJKZNXRZOAAE-ZBFHGGJFSA-N -1 1 382.505 1.070 20 0 GDADMM CNC(=O)c1ccccc1OS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826073424 607587701 /nfs/dbraw/zinc/58/77/01/607587701.db2.gz RGBNIFZACGEPIR-UHFFFAOYSA-N -1 1 393.812 1.647 20 0 GDADMM O=S(=O)(N[C@@H]1COc2ccccc2C1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826489719 607587757 /nfs/dbraw/zinc/58/77/57/607587757.db2.gz XTXBKXAEAZGYIW-NSHDSACASA-N -1 1 391.840 1.802 20 0 GDADMM O=S(=O)(N[C@@H]1COc2ccccc2C1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826489719 607587758 /nfs/dbraw/zinc/58/77/58/607587758.db2.gz XTXBKXAEAZGYIW-NSHDSACASA-N -1 1 391.840 1.802 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@@H]1CCCn2ccnc21 ZINC000826232982 607588243 /nfs/dbraw/zinc/58/82/43/607588243.db2.gz PANHGUPGJVIGRO-ZDUSSCGKSA-N -1 1 396.455 1.407 20 0 GDADMM O=C([O-])N1CCc2c(cccc2NC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)C1 ZINC000740529534 602826612 /nfs/dbraw/zinc/82/66/12/602826612.db2.gz LWSXAJVCRNIXTN-ZWKOTPCHSA-N -1 1 388.468 1.786 20 0 GDADMM CN(CCCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)CC(F)(F)F ZINC000825918768 607588923 /nfs/dbraw/zinc/58/89/23/607588923.db2.gz MKQOBYOCMVZTGI-UHFFFAOYSA-N -1 1 396.370 1.168 20 0 GDADMM CN(CCCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)CC(F)(F)F ZINC000825918768 607588924 /nfs/dbraw/zinc/58/89/24/607588924.db2.gz MKQOBYOCMVZTGI-UHFFFAOYSA-N -1 1 396.370 1.168 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000826496241 607589673 /nfs/dbraw/zinc/58/96/73/607589673.db2.gz PJSLXJXKCRTVSO-JTQLQIEISA-N -1 1 377.405 1.297 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000826496241 607589674 /nfs/dbraw/zinc/58/96/74/607589674.db2.gz PJSLXJXKCRTVSO-JTQLQIEISA-N -1 1 377.405 1.297 20 0 GDADMM CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2ccc(NC(=O)[O-])cc2[O-])CC1 ZINC000739596920 602862647 /nfs/dbraw/zinc/86/26/47/602862647.db2.gz RPWBIHSVDYFFPK-UHFFFAOYSA-N -1 1 378.429 1.155 20 0 GDADMM O=S(=O)(NCc1nccs1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826492709 607591363 /nfs/dbraw/zinc/59/13/63/607591363.db2.gz ZIWGDAAMYHHMTA-UHFFFAOYSA-N -1 1 390.372 1.821 20 0 GDADMM O=C([O-])N(CC(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1)C[C@@H]1CCCO1 ZINC000740365045 602892508 /nfs/dbraw/zinc/89/25/08/602892508.db2.gz NTAZTZIFBHNQRE-ZDUSSCGKSA-N -1 1 377.376 1.386 20 0 GDADMM O=C([O-])N(CC(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1)C[C@@H]1CCCO1 ZINC000740365045 602892511 /nfs/dbraw/zinc/89/25/11/602892511.db2.gz NTAZTZIFBHNQRE-ZDUSSCGKSA-N -1 1 377.376 1.386 20 0 GDADMM O=C(CCNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)N1CCCCC1 ZINC000826408268 607593130 /nfs/dbraw/zinc/59/31/30/607593130.db2.gz YAIGADWZNANRTO-UHFFFAOYSA-N -1 1 398.876 1.201 20 0 GDADMM O=C(CCNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)N1CCCCC1 ZINC000826408268 607593132 /nfs/dbraw/zinc/59/31/32/607593132.db2.gz YAIGADWZNANRTO-UHFFFAOYSA-N -1 1 398.876 1.201 20 0 GDADMM C[C@H](OC(=O)[C@H]1CCN(C(=O)[O-])C1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000739041315 602900112 /nfs/dbraw/zinc/90/01/12/602900112.db2.gz DTTXYHKGPJMKJC-XIRDDKMYSA-N -1 1 389.452 1.309 20 0 GDADMM CC(C)[C@H]1CN(C)CCN1C(=O)NCCCN(Cc1cccnc1)C(=O)[O-] ZINC000738802035 602911779 /nfs/dbraw/zinc/91/17/79/602911779.db2.gz SRNTXTMWYFGVSK-QGZVFWFLSA-N -1 1 377.489 1.933 20 0 GDADMM C[C@H](CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)N(C)c1ccccc1 ZINC000824429471 607596755 /nfs/dbraw/zinc/59/67/55/607596755.db2.gz XQPJLSHWVWWYKX-GFCCVEGCSA-N -1 1 390.444 1.809 20 0 GDADMM C[C@H](CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)N(C)c1ccccc1 ZINC000824429471 607596756 /nfs/dbraw/zinc/59/67/56/607596756.db2.gz XQPJLSHWVWWYKX-GFCCVEGCSA-N -1 1 390.444 1.809 20 0 GDADMM C[C@H]1C[C@H](c2ccccc2)CN1CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O ZINC000739083783 603048506 /nfs/dbraw/zinc/04/85/06/603048506.db2.gz PNFZBGQEWWRBGK-HOCLYGCPSA-N -1 1 386.452 1.886 20 0 GDADMM Cc1nc([C@H]2CN(C(=O)c3cccn3C3CCN(C(=O)[O-])CC3)CCO2)n[nH]1 ZINC000830677046 603076860 /nfs/dbraw/zinc/07/68/60/603076860.db2.gz CIPWENKRFZWHAH-OAHLLOKOSA-N -1 1 388.428 1.443 20 0 GDADMM CC(C)[C@@](C)(CNC(=O)[O-])NC(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000738767401 603099355 /nfs/dbraw/zinc/09/93/55/603099355.db2.gz PWZCZLHKIOTRBX-HXUWFJFHSA-N -1 1 376.501 1.846 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000826466992 607610026 /nfs/dbraw/zinc/61/00/26/607610026.db2.gz CGNCROJAADRJFI-KRWDZBQOSA-N -1 1 380.408 1.206 20 0 GDADMM O=S(=O)(NCCOc1ccc(F)c(F)c1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826491422 607611226 /nfs/dbraw/zinc/61/12/26/607611226.db2.gz ITIWRFJNFSTFOQ-UHFFFAOYSA-N -1 1 399.354 1.641 20 0 GDADMM COc1ccc(C2(NS(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)CC2)cc1 ZINC000826190182 607613673 /nfs/dbraw/zinc/61/36/73/607613673.db2.gz SEDGUCJLMDEUFN-UHFFFAOYSA-N -1 1 389.412 1.982 20 0 GDADMM COc1ccc(C2(NS(=O)(=O)c3cccc(F)c3-c3nn[n-]n3)CC2)cc1 ZINC000826190182 607613674 /nfs/dbraw/zinc/61/36/74/607613674.db2.gz SEDGUCJLMDEUFN-UHFFFAOYSA-N -1 1 389.412 1.982 20 0 GDADMM COc1cccc(C[C@H](C)NS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000826215905 607615160 /nfs/dbraw/zinc/61/51/60/607615160.db2.gz BTHUFFUUZIWYNN-NSHDSACASA-N -1 1 391.428 1.924 20 0 GDADMM CCNC(=O)c1ccc(OS(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)cc1 ZINC000825476281 607616493 /nfs/dbraw/zinc/61/64/93/607616493.db2.gz FAWNRDYSMLUFBW-UHFFFAOYSA-N -1 1 387.421 1.693 20 0 GDADMM C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N(C)CCCNC(=O)[O-] ZINC000738620363 603257421 /nfs/dbraw/zinc/25/74/21/603257421.db2.gz SIPBGCDHAPJWKU-LLVKDONJSA-N -1 1 380.401 1.084 20 0 GDADMM Cc1ncc2c(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826330198 607617500 /nfs/dbraw/zinc/61/75/00/607617500.db2.gz JMHZPVRTWMAHHU-AWEZNQCLSA-N -1 1 389.416 1.460 20 0 GDADMM Cn1nccc1C1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000826366303 607620265 /nfs/dbraw/zinc/62/02/65/607620265.db2.gz BGSJNQKRJVVNDK-UHFFFAOYSA-N -1 1 391.432 1.308 20 0 GDADMM Cc1ccc(N2CC[C@H](N3CCC[C@H](C(=O)NCCNC(=O)[O-])C3)C2=O)cc1 ZINC000740130950 603331182 /nfs/dbraw/zinc/33/11/82/603331182.db2.gz QKOLCUSAQNDGJR-RDJZCZTQSA-N -1 1 388.468 1.196 20 0 GDADMM CCN1CCN(c2ccc(CNC(=O)C[C@H]3CCCN3C(=O)[O-])cn2)CC1 ZINC000827229061 603343266 /nfs/dbraw/zinc/34/32/66/603343266.db2.gz SWSCPTNOCFGBTE-MRXNPFEDSA-N -1 1 375.473 1.372 20 0 GDADMM O=S(=O)(NC[C@@H](O)c1cccc(Cl)c1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826489097 607624874 /nfs/dbraw/zinc/62/48/74/607624874.db2.gz HMDLCMVGMSFTEN-GFCCVEGCSA-N -1 1 397.819 1.671 20 0 GDADMM O=S(=O)(NC[C@@H](O)c1cccc(Cl)c1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826489097 607624875 /nfs/dbraw/zinc/62/48/75/607624875.db2.gz HMDLCMVGMSFTEN-GFCCVEGCSA-N -1 1 397.819 1.671 20 0 GDADMM CCN(CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)C(=O)[O-] ZINC000739396424 603374139 /nfs/dbraw/zinc/37/41/39/603374139.db2.gz WLNUSIWSEXUJPA-UHFFFAOYSA-N -1 1 379.398 1.216 20 0 GDADMM O=S(=O)(NC[C@H](O)c1ccc(Cl)cc1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826489446 607627319 /nfs/dbraw/zinc/62/73/19/607627319.db2.gz PUXJXJCBLFCRFF-LBPRGKRZSA-N -1 1 397.819 1.671 20 0 GDADMM O=S(=O)(NC[C@H](O)c1ccc(Cl)cc1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826489446 607627320 /nfs/dbraw/zinc/62/73/20/607627320.db2.gz PUXJXJCBLFCRFF-LBPRGKRZSA-N -1 1 397.819 1.671 20 0 GDADMM COC1CCN(CCNC(=O)C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)CC1 ZINC000828879964 603463218 /nfs/dbraw/zinc/46/32/18/603463218.db2.gz DDXCOGYXGWBMET-ZDUSSCGKSA-N -1 1 392.456 1.181 20 0 GDADMM C[C@@H](O)CN(C1CCCCC1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824708231 607630912 /nfs/dbraw/zinc/63/09/12/607630912.db2.gz XSAWHIVFOAFFAB-LLVKDONJSA-N -1 1 383.449 1.710 20 0 GDADMM C[C@@H](O)CN(C1CCCCC1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824708231 607630913 /nfs/dbraw/zinc/63/09/13/607630913.db2.gz XSAWHIVFOAFFAB-LLVKDONJSA-N -1 1 383.449 1.710 20 0 GDADMM O=C([O-])N[C@@H](C(=O)N1CCN(C2CCOCC2)CC1)c1cccc(Cl)c1 ZINC000832091289 603514879 /nfs/dbraw/zinc/51/48/79/603514879.db2.gz DCOOIWMKLBEXQO-MRXNPFEDSA-N -1 1 381.860 1.972 20 0 GDADMM CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)CC(C)(C)CNC(=O)[O-] ZINC000828096203 603546671 /nfs/dbraw/zinc/54/66/71/603546671.db2.gz ZUTRSKDMARCXFY-UHFFFAOYSA-N -1 1 386.493 1.291 20 0 GDADMM C[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)[C@H](O)c1ccc(F)cc1 ZINC000824641810 607636506 /nfs/dbraw/zinc/63/65/06/607636506.db2.gz ZDRSNNCVAZFBCT-PSLIRLAXSA-N -1 1 395.391 1.545 20 0 GDADMM COC(=O)c1ccc(CN2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)cc1F ZINC000828772245 603604142 /nfs/dbraw/zinc/60/41/42/603604142.db2.gz MRFMVHNUVBTBBZ-ZDUSSCGKSA-N -1 1 381.404 1.208 20 0 GDADMM O=C([O-])NC[C@H](NC(=O)NCC1(CN2CCOCC2)CCCCC1)C1CC1 ZINC000832427458 603611176 /nfs/dbraw/zinc/61/11/76/603611176.db2.gz HOHHJCPTVJJFLG-INIZCTEOSA-N -1 1 382.505 1.615 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCOC[C@@H]1C(F)(F)F ZINC000826494940 607640762 /nfs/dbraw/zinc/64/07/62/607640762.db2.gz WEBJDKSIEBJCSA-SNVBAGLBSA-N -1 1 397.766 1.472 20 0 GDADMM Cc1oc(NC(=O)[C@H](C)N(CCO)Cc2cccnc2)c(-c2nn[n-]n2)c1C ZINC000826341474 607641748 /nfs/dbraw/zinc/64/17/48/607641748.db2.gz ILPREMAQQGVORE-LBPRGKRZSA-N -1 1 385.428 1.293 20 0 GDADMM COc1cccc([C@@H](CO)NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826215588 607645886 /nfs/dbraw/zinc/64/58/86/607645886.db2.gz UBJFWNYDTBHBMS-CYBMUJFWSA-N -1 1 393.400 1.026 20 0 GDADMM COc1cccc([C@@H](CO)NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826215588 607645888 /nfs/dbraw/zinc/64/58/88/607645888.db2.gz UBJFWNYDTBHBMS-CYBMUJFWSA-N -1 1 393.400 1.026 20 0 GDADMM COc1cc(OC)cc(N2CC[C@@H](N(C)C[C@H]3CCN(C(=O)[O-])C3)C2=O)c1 ZINC000829211214 603730436 /nfs/dbraw/zinc/73/04/36/603730436.db2.gz OHQPMSHKPQGGDR-CXAGYDPISA-N -1 1 377.441 1.741 20 0 GDADMM C[C@H](CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)Oc1ccc(F)cc1 ZINC000824427478 607650451 /nfs/dbraw/zinc/65/04/51/607650451.db2.gz NRJBTZYQPFKEFG-SNVBAGLBSA-N -1 1 395.391 1.891 20 0 GDADMM O=S(=O)(NCc1nccn1C(F)F)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826492267 607651705 /nfs/dbraw/zinc/65/17/05/607651705.db2.gz ACEOSCPYEBMRPZ-UHFFFAOYSA-N -1 1 389.775 1.590 20 0 GDADMM C[C@H](COCc1ccccc1)NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000824440493 607652538 /nfs/dbraw/zinc/65/25/38/607652538.db2.gz DCWYUPKGZPLOHC-GFCCVEGCSA-N -1 1 391.428 1.889 20 0 GDADMM C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)N1CC[C@H](N(C)C(=O)[O-])C1 ZINC000823677795 603840526 /nfs/dbraw/zinc/84/05/26/603840526.db2.gz OBWKMLFSCMVCQP-CABCVRRESA-N -1 1 376.457 1.113 20 0 GDADMM O=C([O-])NC[C@H]1CCC[C@H]1NC(=O)CCN1CCN(c2ccccn2)CC1 ZINC000832457768 603846284 /nfs/dbraw/zinc/84/62/84/603846284.db2.gz KZZDANZLENVJRK-HZPDHXFCSA-N -1 1 375.473 1.146 20 0 GDADMM O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)CSc3nncs3)cc2)n1 ZINC000832730531 603913781 /nfs/dbraw/zinc/91/37/81/603913781.db2.gz UDDFPCQBSFLGOW-UHFFFAOYSA-N -1 1 391.438 1.822 20 0 GDADMM O=C([O-])NCc1nc(-c2ccc(NC(=O)CSc3nncs3)cc2)n[nH]1 ZINC000832730531 603913782 /nfs/dbraw/zinc/91/37/82/603913782.db2.gz UDDFPCQBSFLGOW-UHFFFAOYSA-N -1 1 391.438 1.822 20 0 GDADMM O=C(CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)OC1CCCCC1 ZINC000826412960 607661373 /nfs/dbraw/zinc/66/13/73/607661373.db2.gz LAPDSSDUHDOVTD-UHFFFAOYSA-N -1 1 399.860 1.674 20 0 GDADMM O=C(CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)OC1CCCCC1 ZINC000826412960 607661376 /nfs/dbraw/zinc/66/13/76/607661376.db2.gz LAPDSSDUHDOVTD-UHFFFAOYSA-N -1 1 399.860 1.674 20 0 GDADMM CC(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824228299 607661863 /nfs/dbraw/zinc/66/18/63/607661863.db2.gz HFHUYAJJHJLDIO-YGRLFVJLSA-N -1 1 385.877 1.860 20 0 GDADMM CC(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000824228299 607661865 /nfs/dbraw/zinc/66/18/65/607661865.db2.gz HFHUYAJJHJLDIO-YGRLFVJLSA-N -1 1 385.877 1.860 20 0 GDADMM CCN1CCN(c2ccc(CNC(=O)NCC(C)(C)NC(=O)[O-])cn2)CC1 ZINC000827226887 603989583 /nfs/dbraw/zinc/98/95/83/603989583.db2.gz AQQDPOYJOLBLPT-UHFFFAOYSA-N -1 1 378.477 1.069 20 0 GDADMM O=Cc1cc(F)c(OS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)c(F)c1 ZINC000826483870 607664642 /nfs/dbraw/zinc/66/46/42/607664642.db2.gz CZURQKFFGJCCGH-UHFFFAOYSA-N -1 1 384.295 1.864 20 0 GDADMM O=Cc1cc(F)c(OS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c(F)c1 ZINC000826483870 607664644 /nfs/dbraw/zinc/66/46/44/607664644.db2.gz CZURQKFFGJCCGH-UHFFFAOYSA-N -1 1 384.295 1.864 20 0 GDADMM O=C([O-])N1CCCC[C@H]1CNC(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000831567624 604002694 /nfs/dbraw/zinc/00/26/94/604002694.db2.gz TZBRGOUSYGRRCG-NSHDSACASA-N -1 1 376.438 1.334 20 0 GDADMM CC(C)(C)c1n[nH]c([C@H]2CN(C(=O)N[C@@H]3CCCN(C(=O)[O-])C3)CCO2)n1 ZINC000823864954 604002854 /nfs/dbraw/zinc/00/28/54/604002854.db2.gz RTLNUVOKWVEKJS-VXGBXAGGSA-N -1 1 380.449 1.328 20 0 GDADMM CC(C)(C)c1nnc([C@H]2CN(C(=O)N[C@@H]3CCCN(C(=O)[O-])C3)CCO2)[nH]1 ZINC000823864954 604002859 /nfs/dbraw/zinc/00/28/59/604002859.db2.gz RTLNUVOKWVEKJS-VXGBXAGGSA-N -1 1 380.449 1.328 20 0 GDADMM O=C([O-])NC[C@@H]1CCCC[C@H]1NC(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000832500837 604006381 /nfs/dbraw/zinc/00/63/81/604006381.db2.gz YULDUTIPFGIPCU-WCQYABFASA-N -1 1 390.465 1.628 20 0 GDADMM CCOC(=O)c1ccc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)o1 ZINC000825559152 607665643 /nfs/dbraw/zinc/66/56/43/607665643.db2.gz CFOJSPQQFNFALW-UHFFFAOYSA-N -1 1 395.372 1.254 20 0 GDADMM CCOC(=O)c1ccc(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)o1 ZINC000825559152 607665645 /nfs/dbraw/zinc/66/56/45/607665645.db2.gz CFOJSPQQFNFALW-UHFFFAOYSA-N -1 1 395.372 1.254 20 0 GDADMM Cc1cccc(S(=O)(=O)Oc2ccccc2C(=O)N(C)C)c1-c1nn[n-]n1 ZINC000826304720 607666218 /nfs/dbraw/zinc/66/62/18/607666218.db2.gz VYYQXNFVXDEWCT-UHFFFAOYSA-N -1 1 387.421 1.645 20 0 GDADMM C[C@@H](C[C@@H](O)c1ccccc1)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824393267 607670274 /nfs/dbraw/zinc/67/02/74/607670274.db2.gz RDWMJWJNPFQXDM-SMDDNHRTSA-N -1 1 391.428 1.796 20 0 GDADMM C[C@@H](C[C@@H](O)c1ccccc1)NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000824393267 607670275 /nfs/dbraw/zinc/67/02/75/607670275.db2.gz RDWMJWJNPFQXDM-SMDDNHRTSA-N -1 1 391.428 1.796 20 0 GDADMM O=C([O-])N1CCC[C@H]1COC(=O)c1cccc(NC(=O)CCc2nc[nH]n2)c1 ZINC000831441646 604152908 /nfs/dbraw/zinc/15/29/08/604152908.db2.gz OHNSBWAVIDUWCS-AWEZNQCLSA-N -1 1 387.396 1.675 20 0 GDADMM COc1ccc(-c2n[nH]c(CNC(=O)N[C@@H]3CCC[C@@H]3CNC(=O)[O-])n2)cc1 ZINC000829243882 604152974 /nfs/dbraw/zinc/15/29/74/604152974.db2.gz WBRWYMVORPGJLK-TZMCWYRMSA-N -1 1 388.428 1.716 20 0 GDADMM COc1ccc(-c2nc(CNC(=O)N[C@@H]3CCC[C@@H]3CNC(=O)[O-])n[nH]2)cc1 ZINC000829243882 604152979 /nfs/dbraw/zinc/15/29/79/604152979.db2.gz WBRWYMVORPGJLK-TZMCWYRMSA-N -1 1 388.428 1.716 20 0 GDADMM O=C([O-])N1CCc2ccc(NC(=O)C(=O)N3CC[C@@H](N4CC=CC4)C3)cc2C1 ZINC000831772534 604158590 /nfs/dbraw/zinc/15/85/90/604158590.db2.gz HSMAVDBYLCKNDH-QGZVFWFLSA-N -1 1 384.436 1.134 20 0 GDADMM O=S(=O)(N[C@@H]1CCOC2(CCOCC2)C1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826489754 607677135 /nfs/dbraw/zinc/67/71/35/607677135.db2.gz YSDVRMJTTZOVIM-LLVKDONJSA-N -1 1 397.432 1.012 20 0 GDADMM O=S(=O)(N[C@@H]1CCOC2(CCOCC2)C1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826489754 607677136 /nfs/dbraw/zinc/67/71/36/607677136.db2.gz YSDVRMJTTZOVIM-LLVKDONJSA-N -1 1 397.432 1.012 20 0 GDADMM C[C@H](NC(=O)[O-])[C@H]1CCCN(CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000825254337 604251607 /nfs/dbraw/zinc/25/16/07/604251607.db2.gz MAGLQJZHIWSLHG-RYUDHWBXSA-N -1 1 392.412 1.432 20 0 GDADMM CC(=O)N1CCCN([C@H]2CN(C(=O)c3ccc(NC(=O)[O-])cc3)C[C@@H]2C)CC1 ZINC000823556616 604324832 /nfs/dbraw/zinc/32/48/32/604324832.db2.gz PNIREYQKANNBRC-KSSFIOAISA-N -1 1 388.468 1.791 20 0 GDADMM CC(=O)N1CCCN([C@@H]2CN(C(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)C[C@H]2C)CC1 ZINC000825834405 604325275 /nfs/dbraw/zinc/32/52/75/604325275.db2.gz PGANPVVVUBVDOB-VDHUWJSZSA-N -1 1 379.501 1.279 20 0 GDADMM NC(=O)c1csc(CNCc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)c1 ZINC000833088497 604355408 /nfs/dbraw/zinc/35/54/08/604355408.db2.gz XMYIDFBXYMYCAM-UHFFFAOYSA-N -1 1 382.463 1.136 20 0 GDADMM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CC[C@]2(O)CCCC[C@H]2C1 ZINC000833104784 604368935 /nfs/dbraw/zinc/36/89/35/604368935.db2.gz FDMOUDGHOSKBOW-DKZVUGQWSA-N -1 1 399.491 1.907 20 0 GDADMM O=C([O-])CNC(=O)CCN1CCN(Cc2ccc(Br)cc2)CC1 ZINC000833250204 604373029 /nfs/dbraw/zinc/37/30/29/604373029.db2.gz BDPXOFUEMFPGSG-UHFFFAOYSA-N -1 1 384.274 1.158 20 0 GDADMM COc1ccccc1-c1nc(CNC2(C(=O)[O-])CCS(=O)(=O)CC2)cs1 ZINC000832583384 604437331 /nfs/dbraw/zinc/43/73/31/604437331.db2.gz ULCGLMVXEOHQLH-UHFFFAOYSA-N -1 1 396.490 1.940 20 0 GDADMM COc1cc(OC)cc([C@@H](C(=O)[O-])N2CCC(N(C)S(C)(=O)=O)CC2)c1 ZINC000832040762 604459996 /nfs/dbraw/zinc/45/99/96/604459996.db2.gz JOZLCCGVRSPHHD-INIZCTEOSA-N -1 1 386.470 1.185 20 0 GDADMM CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833432736 604500711 /nfs/dbraw/zinc/50/07/11/604500711.db2.gz QDSKXMUCERTKEN-JOYOIKCWSA-N -1 1 390.396 1.570 20 0 GDADMM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)NCCN2CCc3ccccc3C2)CCO1 ZINC000825318079 604530193 /nfs/dbraw/zinc/53/01/93/604530193.db2.gz KQKNSNHBOPTFTF-YOEHRIQHSA-N -1 1 376.457 1.111 20 0 GDADMM Cc1nc([C@@H]2CN(C(=O)NCc3ccc([C@@H](C)NC(=O)[O-])cc3)CCO2)n[nH]1 ZINC000830678665 604616384 /nfs/dbraw/zinc/61/63/84/604616384.db2.gz QDKICBGHQUIZHF-ABAIWWIYSA-N -1 1 388.428 1.725 20 0 GDADMM CCOc1cc(C(=O)Nc2cc(-c3nccn3C)n[nH]2)ccc1OCC(=O)[O-] ZINC000830038192 604644463 /nfs/dbraw/zinc/64/44/63/604644463.db2.gz MVKSOLGZLXWFDA-UHFFFAOYSA-N -1 1 385.380 1.925 20 0 GDADMM COc1ccccc1[C@H](CNC(=O)[C@@H]1CN(C(=O)[O-])CCO1)N1CCCC1 ZINC000829592493 604653354 /nfs/dbraw/zinc/65/33/54/604653354.db2.gz RLBXTDGYYURDCI-RDJZCZTQSA-N -1 1 377.441 1.327 20 0 GDADMM CC(C)CNC(=O)c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])nc2)cc1 ZINC000833489100 604687199 /nfs/dbraw/zinc/68/71/99/604687199.db2.gz MVBRHYUSJFKOJY-UHFFFAOYSA-N -1 1 377.422 1.966 20 0 GDADMM COc1ccc([C@@H]2CCCN2C(=O)CN2CCC(O)(C(=O)[O-])CC2)cc1OC ZINC000833732823 604725551 /nfs/dbraw/zinc/72/55/51/604725551.db2.gz SPGQPTZPSFSTAN-HNNXBMFYSA-N -1 1 392.452 1.279 20 0 GDADMM CC[C@@H]1CN(CC(=O)N(C)c2ccccc2C(=O)[O-])C[C@@H]1N1CCOCC1 ZINC000829141870 604779936 /nfs/dbraw/zinc/77/99/36/604779936.db2.gz PUJULYAMXRKKCU-QAPCUYQASA-N -1 1 375.469 1.390 20 0 GDADMM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)CCO1 ZINC000825308760 604782148 /nfs/dbraw/zinc/78/21/48/604782148.db2.gz GZGXPUZWODZZSF-APHBMKBZSA-N -1 1 382.436 1.495 20 0 GDADMM O=C([O-])CC1(NCc2nnnn2-c2ccc(OC(F)F)cc2)CCOCC1 ZINC000833205646 604794976 /nfs/dbraw/zinc/79/49/76/604794976.db2.gz JWFHPYLZJCQIRM-UHFFFAOYSA-N -1 1 383.355 1.377 20 0 GDADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CC(=O)N[C@H]1CCCC[C@@H]1C ZINC000826294878 607716577 /nfs/dbraw/zinc/71/65/77/607716577.db2.gz HJPKWNBVGLBIFG-FZMZJTMJSA-N -1 1 381.440 1.580 20 0 GDADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CC(=O)N(C)C1CCC(C)CC1 ZINC000826294771 607716791 /nfs/dbraw/zinc/71/67/91/607716791.db2.gz BRGSDRMEXOYMAM-UHFFFAOYSA-N -1 1 395.467 1.922 20 0 GDADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CC(=O)N(C)c1ccccc1 ZINC000826294935 607717643 /nfs/dbraw/zinc/71/76/43/607717643.db2.gz KATUVIMTJFRVHE-UHFFFAOYSA-N -1 1 375.392 1.548 20 0 GDADMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CC(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000826295086 607718236 /nfs/dbraw/zinc/71/82/36/607718236.db2.gz QOZGGJRVUAWUOX-RYUDHWBXSA-N -1 1 381.440 1.390 20 0 GDADMM COc1ccc(S(=O)(=O)Nc2ccc(C)c(C(N)=O)c2)c(OC)c1C(=O)[O-] ZINC000833734822 604862818 /nfs/dbraw/zinc/86/28/18/604862818.db2.gz ZIBOWZNYNAHQKE-UHFFFAOYSA-N -1 1 394.405 1.610 20 0 GDADMM O=C([O-])c1ccc(OCCNC(=O)C(=O)Nc2cnn(-c3ccncc3)c2)cc1 ZINC000833142412 604866509 /nfs/dbraw/zinc/86/65/09/604866509.db2.gz JPGKCIZIDYLWQF-UHFFFAOYSA-N -1 1 395.375 1.099 20 0 GDADMM O=C([O-])Nc1ccc(CCNC(=O)C(=O)Nc2cnn(-c3ccncc3)c2)cc1 ZINC000833288031 604868890 /nfs/dbraw/zinc/86/88/90/604868890.db2.gz SMVXWWQFMBKJKU-UHFFFAOYSA-N -1 1 394.391 1.655 20 0 GDADMM C[C@]1(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])CCCN(C(=O)c2ccccc2)C1 ZINC000833553230 604897772 /nfs/dbraw/zinc/89/77/72/604897772.db2.gz QNQQIMJVAMDMMO-JXFKEZNVSA-N -1 1 384.436 1.464 20 0 GDADMM CCCN(C(=O)Cn1c(=O)c2ccccc2[nH]c1=S)[C@@H]1CCN(C(=O)[O-])C1 ZINC000826866102 604928918 /nfs/dbraw/zinc/92/89/18/604928918.db2.gz GMGSUFNBTAKBAR-GFCCVEGCSA-N -1 1 390.465 1.676 20 0 GDADMM Cn1cc(NC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cc1C(=O)[O-] ZINC000833051126 604962020 /nfs/dbraw/zinc/96/20/20/604962020.db2.gz OFGLIOZFUNBTSW-WBVHZDCISA-N -1 1 386.452 1.728 20 0 GDADMM COC(=O)c1cc(NC(=O)CN2CCC[C@@H]([C@H]3CCOC3)C2)cc(C(=O)[O-])c1 ZINC000833715403 604988524 /nfs/dbraw/zinc/98/85/24/604988524.db2.gz UUVVPDIISKBKQU-KGLIPLIRSA-N -1 1 390.436 1.858 20 0 GDADMM COC(=O)CCc1csc(NC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)n1 ZINC000831160364 604990341 /nfs/dbraw/zinc/99/03/41/604990341.db2.gz UGRWLCHBALPPBT-NSHDSACASA-N -1 1 384.458 1.261 20 0 GDADMM CC(=O)N[C@H](CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-])c1c(F)cccc1F ZINC000833394584 605080903 /nfs/dbraw/zinc/08/09/03/605080903.db2.gz ASABOTHYECGIGX-KGLIPLIRSA-N -1 1 380.351 1.067 20 0 GDADMM CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C ZINC000833393568 605104224 /nfs/dbraw/zinc/10/42/24/605104224.db2.gz QZYXDYGCCHOWIS-HNAYVOBHSA-N -1 1 385.464 1.958 20 0 GDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NC[C@H](c1ccccc1)C(C)(C)CO ZINC000833623582 605142990 /nfs/dbraw/zinc/14/29/90/605142990.db2.gz IOFOBZBGJDKTIK-FUHWJXTLSA-N -1 1 391.512 1.979 20 0 GDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000833618950 605157147 /nfs/dbraw/zinc/15/71/47/605157147.db2.gz HGYVLYTXFBZQSC-QLFBSQMISA-N -1 1 383.489 1.687 20 0 GDADMM CC(=O)N[C@H](CC(=O)N1CCN(CCC(=O)[O-])C[C@@H]1C)c1ccc(F)cc1F ZINC000833395265 605163555 /nfs/dbraw/zinc/16/35/55/605163555.db2.gz LVLRHECGUJPVEP-YVEFUNNKSA-N -1 1 397.422 1.540 20 0 GDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@H]1CC(c2c(F)cccc2F)=NO1 ZINC000833619926 605168728 /nfs/dbraw/zinc/16/87/28/605168728.db2.gz JHFGDUGSFXRTQJ-XHDPSFHLSA-N -1 1 381.379 1.465 20 0 GDADMM C[C@H]1CN(CCC(=O)[O-])CCN1CC(=O)NCc1ccccc1Cn1cccn1 ZINC000833628354 605190636 /nfs/dbraw/zinc/19/06/36/605190636.db2.gz GUFKDJSBTUZNFN-KRWDZBQOSA-N -1 1 399.495 1.028 20 0 GDADMM C[C@H]1CN(CCC(=O)[O-])CCN1CC(=O)Nc1ccnn1Cc1cccs1 ZINC000833628154 605190705 /nfs/dbraw/zinc/19/07/05/605190705.db2.gz CAHFZVATPJJFNF-AWEZNQCLSA-N -1 1 391.497 1.412 20 0 GDADMM C[C@@H]1CN(C2CC2)C[C@@H]1NS(=O)(=O)c1cccc2c1ccnc2C(=O)[O-] ZINC000833620720 605194244 /nfs/dbraw/zinc/19/42/44/605194244.db2.gz DQLDCVLMALDLBJ-ABAIWWIYSA-N -1 1 375.450 1.694 20 0 GDADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(S[C@H]2CCOC2=O)cc1 ZINC000833626929 605206970 /nfs/dbraw/zinc/20/69/70/605206970.db2.gz SKMXHPVQOSLJRW-CJNGLKHVSA-N -1 1 392.477 1.715 20 0 GDADMM CN(C(=O)CN1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1)c1ccccc1C(=O)[O-] ZINC000833684732 605210103 /nfs/dbraw/zinc/21/01/03/605210103.db2.gz QQPYUIAYICIRDL-CRAIPNDOSA-N -1 1 386.452 1.669 20 0 GDADMM CC(C)(C)[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])co1)c1nc(-c2nc[nH]n2)no1 ZINC000833426924 605210912 /nfs/dbraw/zinc/21/09/12/605210912.db2.gz PEZRDLSAJPXTNK-VIFPVBQESA-N -1 1 396.385 1.212 20 0 GDADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NC[C@H]1COC2(CCCCCC2)O1 ZINC000833626234 605215905 /nfs/dbraw/zinc/21/59/05/605215905.db2.gz PFSUACNIBSIMDP-HOTGVXAUSA-N -1 1 383.489 1.643 20 0 GDADMM COC(=O)c1cc(NC(=O)[C@H](C)N2CCC[C@H](OC)CC2)cc(C(=O)[O-])c1 ZINC000833713733 605272741 /nfs/dbraw/zinc/27/27/41/605272741.db2.gz WGVQJLHHXBPDFD-LRDDRELGSA-N -1 1 378.425 1.999 20 0 GDADMM CC(C)NC(=O)Nc1ccccc1C(=O)N1CCN(CCC(=O)[O-])[C@H](C)C1 ZINC000833503362 605278196 /nfs/dbraw/zinc/27/81/96/605278196.db2.gz YWDDOYJLMHJMMP-CQSZACIVSA-N -1 1 376.457 1.838 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)c2ccc3c(c2)OCCO3)CCN1CCC(=O)[O-] ZINC000833621025 605279196 /nfs/dbraw/zinc/27/91/96/605279196.db2.gz ZBUQBIYHZOTBDV-CQSZACIVSA-N -1 1 376.453 1.743 20 0 GDADMM C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c2cccnc2O1 ZINC000824991613 607747765 /nfs/dbraw/zinc/74/77/65/607747765.db2.gz CXMWMRRZLMLUDR-SECBINFHSA-N -1 1 376.373 1.377 20 0 GDADMM C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c2cccnc2O1 ZINC000824991613 607747766 /nfs/dbraw/zinc/74/77/66/607747766.db2.gz CXMWMRRZLMLUDR-SECBINFHSA-N -1 1 376.373 1.377 20 0 GDADMM O=C([O-])N1CCC(NC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000831598306 605566762 /nfs/dbraw/zinc/56/67/62/605566762.db2.gz FFMZKNZFRAUICQ-AEFFLSMTSA-N -1 1 390.484 1.311 20 0 GDADMM O=C([O-])NC[C@H](NC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO)C1CC1 ZINC000832428195 605635997 /nfs/dbraw/zinc/63/59/97/605635997.db2.gz ONADACVEKDXRMZ-BZSNNMDCSA-N -1 1 390.484 1.215 20 0 GDADMM O=C([O-])N1CCC[C@H]1CNC(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000834028612 605760414 /nfs/dbraw/zinc/76/04/14/605760414.db2.gz SAALNULHSJDKNB-KRWDZBQOSA-N -1 1 382.505 1.663 20 0 GDADMM O=C([O-])N1CCO[C@H](CC(=O)N2CCC(CCCN3CCOCC3)CC2)C1 ZINC000834116092 605812831 /nfs/dbraw/zinc/81/28/31/605812831.db2.gz HRZGOABRMSKOHI-QGZVFWFLSA-N -1 1 383.489 1.106 20 0 GDADMM CC(C)(C)OC(=O)N1CCCC[C@]1(C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000833440202 605855954 /nfs/dbraw/zinc/85/59/54/605855954.db2.gz VNYSAPNKPSSROM-SCLBCKFNSA-N -1 1 380.445 1.701 20 0 GDADMM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)C2NC(=O)NCCCCN1CCOCC1 ZINC000834160959 605997804 /nfs/dbraw/zinc/99/78/04/605997804.db2.gz VPCNHTBHGORGRU-RYTJFDOTSA-N -1 1 382.505 1.613 20 0 GDADMM Cc1oc(NC(=O)[C@@H](C)N2CC[C@](O)(C(F)(F)F)C2)c(-c2nn[n-]n2)c1C ZINC000822541352 606084753 /nfs/dbraw/zinc/08/47/53/606084753.db2.gz NKBMSGXPCYLBSI-XLKFXECMSA-N -1 1 388.350 1.403 20 0 GDADMM O=C([O-])N1CCSC[C@@H]1CC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000833989661 606093733 /nfs/dbraw/zinc/09/37/33/606093733.db2.gz ZAVXULLVLUCVKJ-STQMWFEESA-N -1 1 379.486 1.874 20 0 GDADMM CC[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccc(Cl)s1 ZINC000820925536 606102985 /nfs/dbraw/zinc/10/29/85/606102985.db2.gz JLELZFSGJCJYIN-ZETCQYMHSA-N -1 1 381.849 1.542 20 0 GDADMM CCOC(=O)[C@@H](C)COC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821315387 606135745 /nfs/dbraw/zinc/13/57/45/606135745.db2.gz SSXUIRZRNYYBLD-VIFPVBQESA-N -1 1 377.401 1.259 20 0 GDADMM COC(=O)c1sccc1NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821672277 606139856 /nfs/dbraw/zinc/13/98/56/606139856.db2.gz FBOGJIYIGWEZDQ-UHFFFAOYSA-N -1 1 393.406 1.572 20 0 GDADMM COC(=O)c1sccc1NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821672277 606139858 /nfs/dbraw/zinc/13/98/58/606139858.db2.gz FBOGJIYIGWEZDQ-UHFFFAOYSA-N -1 1 393.406 1.572 20 0 GDADMM COC(=O)C=Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000778659871 606162496 /nfs/dbraw/zinc/16/24/96/606162496.db2.gz HPRTWRPGRRWSHC-JXMROGBWSA-N -1 1 385.405 1.854 20 0 GDADMM C[C@@H](CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)Oc1cccc(Cl)c1 ZINC000820270037 606165188 /nfs/dbraw/zinc/16/51/88/606165188.db2.gz SUCLYENKRLILLJ-VIFPVBQESA-N -1 1 376.808 1.843 20 0 GDADMM C[C@@H](CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)Oc1cccc(Cl)c1 ZINC000820270037 606165189 /nfs/dbraw/zinc/16/51/89/606165189.db2.gz SUCLYENKRLILLJ-VIFPVBQESA-N -1 1 376.808 1.843 20 0 GDADMM C[C@H](CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)Oc1cccc(Cl)c1 ZINC000820270036 606165223 /nfs/dbraw/zinc/16/52/23/606165223.db2.gz SUCLYENKRLILLJ-SECBINFHSA-N -1 1 376.808 1.843 20 0 GDADMM C[C@H](CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)Oc1cccc(Cl)c1 ZINC000820270036 606165224 /nfs/dbraw/zinc/16/52/24/606165224.db2.gz SUCLYENKRLILLJ-SECBINFHSA-N -1 1 376.808 1.843 20 0 GDADMM COc1ccccc1C[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)C(C)C ZINC000821889460 606168827 /nfs/dbraw/zinc/16/88/27/606168827.db2.gz BQAYTGCRNPHGBL-AWEZNQCLSA-N -1 1 384.444 1.998 20 0 GDADMM COc1ccccc1C[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)C(C)C ZINC000821889460 606168828 /nfs/dbraw/zinc/16/88/28/606168828.db2.gz BQAYTGCRNPHGBL-AWEZNQCLSA-N -1 1 384.444 1.998 20 0 GDADMM CO[C@H](C)c1noc(Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)n1 ZINC000821675099 606172284 /nfs/dbraw/zinc/17/22/84/606172284.db2.gz CZMUMJBWSYQMGT-MRVPVSSYSA-N -1 1 387.787 1.974 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)n1 ZINC000822614572 606173321 /nfs/dbraw/zinc/17/33/21/606173321.db2.gz NRXXDNWLTPZAKV-JTQLQIEISA-N -1 1 391.436 1.121 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)n1 ZINC000822614572 606173322 /nfs/dbraw/zinc/17/33/22/606173322.db2.gz NRXXDNWLTPZAKV-JTQLQIEISA-N -1 1 391.436 1.121 20 0 GDADMM COc1ccc(N2C[C@H](C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])CC2=O)cc1 ZINC000821831959 606195036 /nfs/dbraw/zinc/19/50/36/606195036.db2.gz UWZJAAKJXAJWCN-GFCCVEGCSA-N -1 1 394.391 1.573 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@@H](O)COCC1CC1 ZINC000822535042 606292052 /nfs/dbraw/zinc/29/20/52/606292052.db2.gz FKSBGXAGEBYSLQ-CYBMUJFWSA-N -1 1 386.412 1.076 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@@H](O)COCC1CC1 ZINC000822535042 606292054 /nfs/dbraw/zinc/29/20/54/606292054.db2.gz FKSBGXAGEBYSLQ-CYBMUJFWSA-N -1 1 386.412 1.076 20 0 GDADMM Cc1nc2ccccc2c(=O)n1CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000822463411 606294339 /nfs/dbraw/zinc/29/43/39/606294339.db2.gz QNMKXPKHDBNTRV-UHFFFAOYSA-N -1 1 377.364 1.229 20 0 GDADMM Cn1ccnc1[C@@](O)(CC(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])C(F)(F)F ZINC000822694253 606295657 /nfs/dbraw/zinc/29/56/57/606295657.db2.gz ZVMQDTBALISYPJ-AWEZNQCLSA-N -1 1 397.317 1.085 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCOc2ncccc21 ZINC000822005695 606366252 /nfs/dbraw/zinc/36/62/52/606366252.db2.gz UENKGXCNEJWOGK-UHFFFAOYSA-N -1 1 381.396 1.337 20 0 GDADMM O=C1N[C@H](c2ccc(-c3nn[n-]n3)s2)Nc2ccc(N3CCOCC3)cc21 ZINC000823542929 606394735 /nfs/dbraw/zinc/39/47/35/606394735.db2.gz ZECDYPUXDIVHCJ-OAHLLOKOSA-N -1 1 383.437 1.619 20 0 GDADMM CO[C@@]1(C)C[C@@H](N(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1(C)C ZINC000821679122 606431977 /nfs/dbraw/zinc/43/19/77/606431977.db2.gz XJZDBPHXBHMNSH-CJNGLKHVSA-N -1 1 383.449 1.830 20 0 GDADMM O=S(=O)(NCCc1c[nH]c2cc(F)ccc12)c1ccc(-c2nnn[n-]2)nc1 ZINC000823577880 606436615 /nfs/dbraw/zinc/43/66/15/606436615.db2.gz CBGMKLGGQWMDSZ-UHFFFAOYSA-N -1 1 387.400 1.403 20 0 GDADMM O=S(=O)(NCCc1c[nH]c2cc(F)ccc12)c1ccc(-c2nn[n-]n2)nc1 ZINC000823577880 606436617 /nfs/dbraw/zinc/43/66/17/606436617.db2.gz CBGMKLGGQWMDSZ-UHFFFAOYSA-N -1 1 387.400 1.403 20 0 GDADMM CC(C)(C)n1ncc(NCCCc2[nH]nc(N)c2-c2nnn[n-]2)c(Cl)c1=O ZINC000819976394 606441271 /nfs/dbraw/zinc/44/12/71/606441271.db2.gz VMMNXDMIANKCNR-UHFFFAOYSA-N -1 1 392.855 1.182 20 0 GDADMM CC(C)(C)n1ncc(NCCCc2[nH]nc(N)c2-c2nn[n-]n2)c(Cl)c1=O ZINC000819976394 606441273 /nfs/dbraw/zinc/44/12/73/606441273.db2.gz VMMNXDMIANKCNR-UHFFFAOYSA-N -1 1 392.855 1.182 20 0 GDADMM COCCNC(=O)[C@H]1CC[C@@H](C)N(c2ccc(Cl)c(-c3nnn[n-]3)n2)C1 ZINC000821691356 606458654 /nfs/dbraw/zinc/45/86/54/606458654.db2.gz RKQLGTZPXZYUHF-MNOVXSKESA-N -1 1 379.852 1.283 20 0 GDADMM COCCNC(=O)[C@H]1CC[C@@H](C)N(c2ccc(Cl)c(-c3nn[n-]n3)n2)C1 ZINC000821691356 606458655 /nfs/dbraw/zinc/45/86/55/606458655.db2.gz RKQLGTZPXZYUHF-MNOVXSKESA-N -1 1 379.852 1.283 20 0 GDADMM CNS(=O)(=O)c1cccc([C@@H](C)Nc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000821637616 606464889 /nfs/dbraw/zinc/46/48/89/606464889.db2.gz NDHYRIUYXRDWAX-SECBINFHSA-N -1 1 393.860 1.996 20 0 GDADMM CNS(=O)(=O)c1cccc([C@@H](C)Nc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000821637616 606464891 /nfs/dbraw/zinc/46/48/91/606464891.db2.gz NDHYRIUYXRDWAX-SECBINFHSA-N -1 1 393.860 1.996 20 0 GDADMM Cc1noc(C)c1COc1ccc(CC(=O)Nc2n[nH]cc2-c2nnn[n-]2)cc1 ZINC000822524183 606532948 /nfs/dbraw/zinc/53/29/48/606532948.db2.gz YXUXURBPYQTZHK-UHFFFAOYSA-N -1 1 394.395 1.955 20 0 GDADMM Cc1noc(C)c1COc1ccc(CC(=O)Nc2n[nH]cc2-c2nn[n-]n2)cc1 ZINC000822524183 606532949 /nfs/dbraw/zinc/53/29/49/606532949.db2.gz YXUXURBPYQTZHK-UHFFFAOYSA-N -1 1 394.395 1.955 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)s1)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000823483515 606538879 /nfs/dbraw/zinc/53/88/79/606538879.db2.gz HLTHVCAGMJZRDD-UHFFFAOYSA-N -1 1 394.411 1.478 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)s1)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000823483515 606538881 /nfs/dbraw/zinc/53/88/81/606538881.db2.gz HLTHVCAGMJZRDD-UHFFFAOYSA-N -1 1 394.411 1.478 20 0 GDADMM COc1ccccc1CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000821898951 606549365 /nfs/dbraw/zinc/54/93/65/606549365.db2.gz UWLBWFBBQSEDNO-UHFFFAOYSA-N -1 1 384.465 1.895 20 0 GDADMM COc1ccccc1CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000821898951 606549367 /nfs/dbraw/zinc/54/93/67/606549367.db2.gz UWLBWFBBQSEDNO-UHFFFAOYSA-N -1 1 384.465 1.895 20 0 GDADMM CCOc1cccc(N2CCN(C(=O)c3ccc(-c4nnn[n-]4)s3)CC2)n1 ZINC000821431765 606554819 /nfs/dbraw/zinc/55/48/19/606554819.db2.gz ZEJLPLMCAHXONP-UHFFFAOYSA-N -1 1 385.453 1.684 20 0 GDADMM CCOc1cccc(N2CCN(C(=O)c3ccc(-c4nn[n-]n4)s3)CC2)n1 ZINC000821431765 606554821 /nfs/dbraw/zinc/55/48/21/606554821.db2.gz ZEJLPLMCAHXONP-UHFFFAOYSA-N -1 1 385.453 1.684 20 0 GDADMM Cc1nn(C)c(C)c1CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000822492111 606563612 /nfs/dbraw/zinc/56/36/12/606563612.db2.gz REICJTCQZPJAHH-UHFFFAOYSA-N -1 1 386.485 1.237 20 0 GDADMM Cc1nn(C)c(C)c1CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000822492111 606563614 /nfs/dbraw/zinc/56/36/14/606563614.db2.gz REICJTCQZPJAHH-UHFFFAOYSA-N -1 1 386.485 1.237 20 0 GDADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1noc(Cc2ccccc2)n1 ZINC000820379572 606576841 /nfs/dbraw/zinc/57/68/41/606576841.db2.gz DIQKSCCJSHUALJ-SNVBAGLBSA-N -1 1 394.399 1.457 20 0 GDADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1noc(Cc2ccccc2)n1 ZINC000820379572 606576842 /nfs/dbraw/zinc/57/68/42/606576842.db2.gz DIQKSCCJSHUALJ-SNVBAGLBSA-N -1 1 394.399 1.457 20 0 GDADMM COC(=O)c1cc(NC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)cn1C ZINC000821668252 606585244 /nfs/dbraw/zinc/58/52/44/606585244.db2.gz XIQRTXYIPXZTKY-UHFFFAOYSA-N -1 1 389.397 1.067 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NCCCc2c(C)noc2C)cc1-c1nn[n-]n1 ZINC000821978850 606633498 /nfs/dbraw/zinc/63/34/98/606633498.db2.gz NFBOKEQFYXTYSB-UHFFFAOYSA-N -1 1 389.441 1.657 20 0 GDADMM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCSc2ccncc21 ZINC000823601254 606636740 /nfs/dbraw/zinc/63/67/40/606636740.db2.gz YAAKMIWWOGVAGV-UHFFFAOYSA-N -1 1 378.414 1.702 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N(CCCO)[C@@H]2CCCc3ccccc32)n1 ZINC000822605121 606642802 /nfs/dbraw/zinc/64/28/02/606642802.db2.gz ZSEXELFJXLYHSO-MRXNPFEDSA-N -1 1 396.455 1.894 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N(CCCO)[C@@H]2CCCc3ccccc32)n1 ZINC000822605121 606642803 /nfs/dbraw/zinc/64/28/03/606642803.db2.gz ZSEXELFJXLYHSO-MRXNPFEDSA-N -1 1 396.455 1.894 20 0 GDADMM Cc1cccc([C@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C(C)(C)C)c1 ZINC000822288632 606643859 /nfs/dbraw/zinc/64/38/59/606643859.db2.gz DOVDYMWRIGPWGT-AWEZNQCLSA-N -1 1 383.456 1.772 20 0 GDADMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000823436334 606649927 /nfs/dbraw/zinc/64/99/27/606649927.db2.gz QJNBYDYKDQVBHI-KGLIPLIRSA-N -1 1 379.376 1.880 20 0 GDADMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000823436334 606649928 /nfs/dbraw/zinc/64/99/28/606649928.db2.gz QJNBYDYKDQVBHI-KGLIPLIRSA-N -1 1 379.376 1.880 20 0 GDADMM Cc1ccc(N2C[C@@H](C(=O)OCc3ccnc(-c4nnn[n-]4)c3)CC2=O)cc1F ZINC000822241440 606650455 /nfs/dbraw/zinc/65/04/55/606650455.db2.gz WTOWDOHJFRPETP-ZDUSSCGKSA-N -1 1 396.382 1.806 20 0 GDADMM Cc1ccc(N2C[C@@H](C(=O)OCc3ccnc(-c4nn[n-]n4)c3)CC2=O)cc1F ZINC000822241440 606650456 /nfs/dbraw/zinc/65/04/56/606650456.db2.gz WTOWDOHJFRPETP-ZDUSSCGKSA-N -1 1 396.382 1.806 20 0 GDADMM COc1ccccc1N1C[C@@H](C(=O)OCc2ccnc(-c3nnn[n-]3)c2)CC1=O ZINC000821896836 606651061 /nfs/dbraw/zinc/65/10/61/606651061.db2.gz CGZQPZFPGRPRFU-ZDUSSCGKSA-N -1 1 394.391 1.367 20 0 GDADMM COc1ccccc1N1C[C@@H](C(=O)OCc2ccnc(-c3nn[n-]n3)c2)CC1=O ZINC000821896836 606651062 /nfs/dbraw/zinc/65/10/62/606651062.db2.gz CGZQPZFPGRPRFU-ZDUSSCGKSA-N -1 1 394.391 1.367 20 0 GDADMM Cc1cc(C)cc(N2CC[C@H](C(=O)OCc3ccnc(-c4nnn[n-]4)c3)C2=O)c1 ZINC000822196614 606652646 /nfs/dbraw/zinc/65/26/46/606652646.db2.gz QCZCKYGPRMKSKY-INIZCTEOSA-N -1 1 392.419 1.975 20 0 GDADMM Cc1cc(C)cc(N2CC[C@H](C(=O)OCc3ccnc(-c4nn[n-]n4)c3)C2=O)c1 ZINC000822196614 606652647 /nfs/dbraw/zinc/65/26/47/606652647.db2.gz QCZCKYGPRMKSKY-INIZCTEOSA-N -1 1 392.419 1.975 20 0 GDADMM COC(=O)[C@@H](C)[C@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccccc1 ZINC000821638759 606658223 /nfs/dbraw/zinc/65/82/23/606658223.db2.gz HPQGROUPAGKUOP-GWCFXTLKSA-N -1 1 384.400 1.272 20 0 GDADMM COC(=O)[C@@H](C)[C@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccccc1 ZINC000821638759 606658224 /nfs/dbraw/zinc/65/82/24/606658224.db2.gz HPQGROUPAGKUOP-GWCFXTLKSA-N -1 1 384.400 1.272 20 0 GDADMM COC(=O)[C@@H](C)[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccccc1 ZINC000821638760 606658235 /nfs/dbraw/zinc/65/82/35/606658235.db2.gz HPQGROUPAGKUOP-GXFFZTMASA-N -1 1 384.400 1.272 20 0 GDADMM COC(=O)[C@@H](C)[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccccc1 ZINC000821638760 606658236 /nfs/dbraw/zinc/65/82/36/606658236.db2.gz HPQGROUPAGKUOP-GXFFZTMASA-N -1 1 384.400 1.272 20 0 GDADMM COCCCOc1cc(C)ccc1CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821687875 606689014 /nfs/dbraw/zinc/68/90/14/606689014.db2.gz TWGVSMFWAKPUEX-UHFFFAOYSA-N -1 1 382.424 1.915 20 0 GDADMM COCCCOc1cc(C)ccc1CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821687875 606689015 /nfs/dbraw/zinc/68/90/15/606689015.db2.gz TWGVSMFWAKPUEX-UHFFFAOYSA-N -1 1 382.424 1.915 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H](c2ccccc2F)C2CCCC2)n(C)c1=O ZINC000822601134 606734240 /nfs/dbraw/zinc/73/42/40/606734240.db2.gz UHYMVHSJCBSTTC-HNNXBMFYSA-N -1 1 399.430 1.747 20 0 GDADMM CC[C@H]1CN(C)c2ccccc2CN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820995775 606744857 /nfs/dbraw/zinc/74/48/57/606744857.db2.gz XORCNQXGWHPROF-AWEZNQCLSA-N -1 1 399.480 1.681 20 0 GDADMM CC[C@H]1CN(C)c2ccccc2CN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820995775 606744858 /nfs/dbraw/zinc/74/48/58/606744858.db2.gz XORCNQXGWHPROF-AWEZNQCLSA-N -1 1 399.480 1.681 20 0 GDADMM CCN(CC)C(=O)CCC(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000821175067 606753706 /nfs/dbraw/zinc/75/37/06/606753706.db2.gz BTKGKJPVJSDAAF-UHFFFAOYSA-N -1 1 392.416 1.207 20 0 GDADMM Cc1ncsc1NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000822481827 606755984 /nfs/dbraw/zinc/75/59/84/606755984.db2.gz GASWYMQPSMJBES-UHFFFAOYSA-N -1 1 383.441 1.862 20 0 GDADMM Cc1ncsc1NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000822481827 606755985 /nfs/dbraw/zinc/75/59/85/606755985.db2.gz GASWYMQPSMJBES-UHFFFAOYSA-N -1 1 383.441 1.862 20 0 GDADMM O=C(OCCOc1cncc(Br)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823409021 606763192 /nfs/dbraw/zinc/76/31/92/606763192.db2.gz ANUUGJBFDVWTKG-UHFFFAOYSA-N -1 1 391.185 1.655 20 0 GDADMM O=C(OCCOc1cncc(Br)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823409021 606763194 /nfs/dbraw/zinc/76/31/94/606763194.db2.gz ANUUGJBFDVWTKG-UHFFFAOYSA-N -1 1 391.185 1.655 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=S)Nc1ccc(F)cc1 ZINC000820788905 606764881 /nfs/dbraw/zinc/76/48/81/606764881.db2.gz RAEJDBUMNHGXSA-LLVKDONJSA-N -1 1 399.459 1.703 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=S)Nc1ccc(F)cc1 ZINC000820788905 606764883 /nfs/dbraw/zinc/76/48/83/606764883.db2.gz RAEJDBUMNHGXSA-LLVKDONJSA-N -1 1 399.459 1.703 20 0 GDADMM Cc1ccc(NC(=S)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cc1 ZINC000822255324 606765613 /nfs/dbraw/zinc/76/56/13/606765613.db2.gz YYYHPFCTGIYLBC-ZDUSSCGKSA-N -1 1 395.496 1.873 20 0 GDADMM Cc1ccc(NC(=S)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cc1 ZINC000822255324 606765618 /nfs/dbraw/zinc/76/56/18/606765618.db2.gz YYYHPFCTGIYLBC-ZDUSSCGKSA-N -1 1 395.496 1.873 20 0 GDADMM Cc1cnc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)s1 ZINC000822394471 606768477 /nfs/dbraw/zinc/76/84/77/606768477.db2.gz AKKGPLFQAWWOLU-VIFPVBQESA-N -1 1 386.445 1.164 20 0 GDADMM Cc1cnc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)s1 ZINC000822394471 606768480 /nfs/dbraw/zinc/76/84/80/606768480.db2.gz AKKGPLFQAWWOLU-VIFPVBQESA-N -1 1 386.445 1.164 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cn1ccc(C(F)(F)F)n1 ZINC000820804609 606769465 /nfs/dbraw/zinc/76/94/65/606769465.db2.gz VWXKOPUBCJNHBM-JTQLQIEISA-N -1 1 394.365 1.040 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cn1ccc(C(F)(F)F)n1 ZINC000820804609 606769466 /nfs/dbraw/zinc/76/94/66/606769466.db2.gz VWXKOPUBCJNHBM-JTQLQIEISA-N -1 1 394.365 1.040 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCCC1CCCC1 ZINC000820788610 606786983 /nfs/dbraw/zinc/78/69/83/606786983.db2.gz KOJHPRPIJBRTTR-ZDUSSCGKSA-N -1 1 385.476 1.457 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCCC1CCCC1 ZINC000820788610 606786985 /nfs/dbraw/zinc/78/69/85/606786985.db2.gz KOJHPRPIJBRTTR-ZDUSSCGKSA-N -1 1 385.476 1.457 20 0 GDADMM C[C@H](CNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)C(C)(C)C ZINC000820789224 606792183 /nfs/dbraw/zinc/79/21/83/606792183.db2.gz YINKRAQUNMJXBT-OLZOCXBDSA-N -1 1 387.492 1.559 20 0 GDADMM C[C@H](CNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)C(C)(C)C ZINC000820789224 606792185 /nfs/dbraw/zinc/79/21/85/606792185.db2.gz YINKRAQUNMJXBT-OLZOCXBDSA-N -1 1 387.492 1.559 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccncc1Cl ZINC000820789035 606818525 /nfs/dbraw/zinc/81/85/25/606818525.db2.gz UFGJNNQUHUJUDX-JTQLQIEISA-N -1 1 385.819 1.056 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1ccncc1Cl ZINC000820789035 606818527 /nfs/dbraw/zinc/81/85/27/606818527.db2.gz UFGJNNQUHUJUDX-JTQLQIEISA-N -1 1 385.819 1.056 20 0 GDADMM C[C@H](CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)c1cccnc1 ZINC000820219158 606819751 /nfs/dbraw/zinc/81/97/51/606819751.db2.gz CSWAPJVUULTVBE-KGLIPLIRSA-N -1 1 393.455 1.283 20 0 GDADMM C[C@H](CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)c1cccnc1 ZINC000820219158 606819752 /nfs/dbraw/zinc/81/97/52/606819752.db2.gz CSWAPJVUULTVBE-KGLIPLIRSA-N -1 1 393.455 1.283 20 0 GDADMM CC(C)=C[C@@H]1[C@H](C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)C1(C)C ZINC000820005182 606821129 /nfs/dbraw/zinc/82/11/29/606821129.db2.gz MDVUCPGDGMODBJ-RBSFLKMASA-N -1 1 396.499 1.932 20 0 GDADMM CC(C)=C[C@@H]1[C@H](C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)C1(C)C ZINC000820005182 606821130 /nfs/dbraw/zinc/82/11/30/606821130.db2.gz MDVUCPGDGMODBJ-RBSFLKMASA-N -1 1 396.499 1.932 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C=Cc1cccc(F)c1 ZINC000820776700 606821198 /nfs/dbraw/zinc/82/11/98/606821198.db2.gz MRNVWWQPQPRAOK-GFUIURDCSA-N -1 1 394.414 1.546 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C=Cc1cccc(F)c1 ZINC000820776700 606821199 /nfs/dbraw/zinc/82/11/99/606821199.db2.gz MRNVWWQPQPRAOK-GFUIURDCSA-N -1 1 394.414 1.546 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)Cc1ccc(Cl)cc1 ZINC000820775446 606821234 /nfs/dbraw/zinc/82/12/34/606821234.db2.gz IFYUEPDBBJMLNE-LBPRGKRZSA-N -1 1 398.858 1.590 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)Cc1ccc(Cl)cc1 ZINC000820775446 606821235 /nfs/dbraw/zinc/82/12/35/606821235.db2.gz IFYUEPDBBJMLNE-LBPRGKRZSA-N -1 1 398.858 1.590 20 0 GDADMM Cc1cccc(CCC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)c1 ZINC000822299583 606822823 /nfs/dbraw/zinc/82/28/23/606822823.db2.gz NRFJUCNOIXXSPI-HNNXBMFYSA-N -1 1 392.467 1.635 20 0 GDADMM Cc1cccc(CCC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)c1 ZINC000822299583 606822825 /nfs/dbraw/zinc/82/28/25/606822825.db2.gz NRFJUCNOIXXSPI-HNNXBMFYSA-N -1 1 392.467 1.635 20 0 GDADMM CCCCOc1cccc(CNC(=O)Cn2cccc(-c3nn[n-]n3)c2=O)c1 ZINC000821077957 606825054 /nfs/dbraw/zinc/82/50/54/606825054.db2.gz YIXYUBLJDAJOQS-UHFFFAOYSA-N -1 1 382.424 1.524 20 0 GDADMM CCOc1ccc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cc1 ZINC000821416590 606825445 /nfs/dbraw/zinc/82/54/45/606825445.db2.gz BBKDTWPNBJSPSX-CYBMUJFWSA-N -1 1 394.439 1.406 20 0 GDADMM CCOc1ccc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cc1 ZINC000821416590 606825446 /nfs/dbraw/zinc/82/54/46/606825446.db2.gz BBKDTWPNBJSPSX-CYBMUJFWSA-N -1 1 394.439 1.406 20 0 GDADMM C[C@@H](NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)c1cccnc1 ZINC000820352161 606825835 /nfs/dbraw/zinc/82/58/35/606825835.db2.gz SQVRKYXIALSMEN-CHWSQXEVSA-N -1 1 394.443 1.033 20 0 GDADMM C[C@@H](NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)c1cccnc1 ZINC000820352161 606825836 /nfs/dbraw/zinc/82/58/36/606825836.db2.gz SQVRKYXIALSMEN-CHWSQXEVSA-N -1 1 394.443 1.033 20 0 GDADMM CC(=O)c1csc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1 ZINC000819844436 606831148 /nfs/dbraw/zinc/83/11/48/606831148.db2.gz HPRJMULYHOZHTL-SNVBAGLBSA-N -1 1 398.452 1.272 20 0 GDADMM CC(=O)c1csc(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1 ZINC000819844436 606831149 /nfs/dbraw/zinc/83/11/49/606831149.db2.gz HPRJMULYHOZHTL-SNVBAGLBSA-N -1 1 398.452 1.272 20 0 GDADMM CC1CCC(CNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)CC1 ZINC000820690753 606832930 /nfs/dbraw/zinc/83/29/30/606832930.db2.gz RJYUSXARURFRQI-SHARSMKWSA-N -1 1 399.503 1.703 20 0 GDADMM CC1CCC(CNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)CC1 ZINC000820690753 606832932 /nfs/dbraw/zinc/83/29/32/606832932.db2.gz RJYUSXARURFRQI-SHARSMKWSA-N -1 1 399.503 1.703 20 0 GDADMM CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820863635 606840357 /nfs/dbraw/zinc/84/03/57/606840357.db2.gz UVVBCLQTXJGQJR-MFKMUULPSA-N -1 1 376.442 1.253 20 0 GDADMM CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820863635 606840358 /nfs/dbraw/zinc/84/03/58/606840358.db2.gz UVVBCLQTXJGQJR-MFKMUULPSA-N -1 1 376.442 1.253 20 0 GDADMM CCCN(C[C@H]1CCCCO1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821094442 606843896 /nfs/dbraw/zinc/84/38/96/606843896.db2.gz JMHQFLUVHCHIIF-CYBMUJFWSA-N -1 1 383.449 1.976 20 0 GDADMM COc1ccc(N(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1F ZINC000821828551 606865881 /nfs/dbraw/zinc/86/58/81/606865881.db2.gz XOTDIIRRQVZCBX-UHFFFAOYSA-N -1 1 381.364 1.979 20 0 GDADMM O=S(=O)(Nc1cc(F)ccc1Br)c1ccc(-c2nnn[n-]2)nc1 ZINC000823583354 606866447 /nfs/dbraw/zinc/86/64/47/606866447.db2.gz OVMTWGABAMKEPO-UHFFFAOYSA-N -1 1 399.205 1.964 20 0 GDADMM O=S(=O)(Nc1cc(F)ccc1Br)c1ccc(-c2nn[n-]n2)nc1 ZINC000823583354 606866449 /nfs/dbraw/zinc/86/64/49/606866449.db2.gz OVMTWGABAMKEPO-UHFFFAOYSA-N -1 1 399.205 1.964 20 0 GDADMM CCO[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C12CCC2 ZINC000821359620 606875165 /nfs/dbraw/zinc/87/51/65/606875165.db2.gz OFGFPMROFRXCCM-ZIAGYGMSSA-N -1 1 395.460 1.974 20 0 GDADMM CCO[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C12CCC2 ZINC000821359620 606875166 /nfs/dbraw/zinc/87/51/66/606875166.db2.gz OFGFPMROFRXCCM-ZIAGYGMSSA-N -1 1 395.460 1.974 20 0 GDADMM COC1CCC(OC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)CC1 ZINC000821679695 606897617 /nfs/dbraw/zinc/89/76/17/606897617.db2.gz ILYSRFXPNOYELF-UHFFFAOYSA-N -1 1 399.455 1.960 20 0 GDADMM COC1CCC(OC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)CC1 ZINC000821679695 606897618 /nfs/dbraw/zinc/89/76/18/606897618.db2.gz ILYSRFXPNOYELF-UHFFFAOYSA-N -1 1 399.455 1.960 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OC[C@@H]1CC12CCOCC2 ZINC000822010328 606899461 /nfs/dbraw/zinc/89/94/61/606899461.db2.gz YDGLJKNNASRROE-ZDUSSCGKSA-N -1 1 387.440 1.877 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)NC[C@H](O)C(F)(F)F)c1-c1nn[n-]n1 ZINC000821990518 606907661 /nfs/dbraw/zinc/90/76/61/606907661.db2.gz UBUNMWBLMOAGPC-VIFPVBQESA-N -1 1 388.375 1.514 20 0 GDADMM Cc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)c(O[C@H]2CCOC2)c1 ZINC000822238327 606956787 /nfs/dbraw/zinc/95/67/87/606956787.db2.gz CKVJFYAOUUNACS-HNNXBMFYSA-N -1 1 380.408 1.668 20 0 GDADMM Cc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)c(O[C@H]2CCOC2)c1 ZINC000822238327 606956789 /nfs/dbraw/zinc/95/67/89/606956789.db2.gz CKVJFYAOUUNACS-HNNXBMFYSA-N -1 1 380.408 1.668 20 0 GDADMM Cc1cnc(NC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)nc1 ZINC000822394931 606976061 /nfs/dbraw/zinc/97/60/61/606976061.db2.gz LDFZDSYXSGCXCS-UHFFFAOYSA-N -1 1 378.400 1.196 20 0 GDADMM Cc1cnc(NC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)nc1 ZINC000822394931 606976063 /nfs/dbraw/zinc/97/60/63/606976063.db2.gz LDFZDSYXSGCXCS-UHFFFAOYSA-N -1 1 378.400 1.196 20 0 GDADMM Cn1ccnc1Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Br)ccc21 ZINC000822699400 607008539 /nfs/dbraw/zinc/00/85/39/607008539.db2.gz ZNAZBWDMWIZNAJ-UHFFFAOYSA-N -1 1 386.213 1.726 20 0 GDADMM CC(=O)N1CCC[C@H](COC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)C1 ZINC000819796984 607093103 /nfs/dbraw/zinc/09/31/03/607093103.db2.gz RCXLLPUXBBVBDG-AWEZNQCLSA-N -1 1 398.423 1.974 20 0 GDADMM CC(=O)N1CCC[C@H](COC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)C1 ZINC000819796984 607093105 /nfs/dbraw/zinc/09/31/05/607093105.db2.gz RCXLLPUXBBVBDG-AWEZNQCLSA-N -1 1 398.423 1.974 20 0 GDADMM Cc1cc(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)cnc1Cl ZINC000822208466 607139653 /nfs/dbraw/zinc/13/96/53/607139653.db2.gz TUQCRBDXSRVFHJ-UHFFFAOYSA-N -1 1 376.812 1.283 20 0 GDADMM Cc1cc(NC(=O)NCCCc2[nH]nc(N)c2-c2nn[n-]n2)cnc1Cl ZINC000822208466 607139654 /nfs/dbraw/zinc/13/96/54/607139654.db2.gz TUQCRBDXSRVFHJ-UHFFFAOYSA-N -1 1 376.812 1.283 20 0 GDADMM COc1coc(Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)cc1=O ZINC000821910892 607157108 /nfs/dbraw/zinc/15/71/08/607157108.db2.gz JTJPRCLRAWBYQF-UHFFFAOYSA-N -1 1 385.767 1.845 20 0 GDADMM CCn1c(C)nnc1COC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000821563701 607205897 /nfs/dbraw/zinc/20/58/97/607205897.db2.gz ASDMREFFTHZHGM-UHFFFAOYSA-N -1 1 386.416 1.180 20 0 GDADMM Cc1nc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)sc1Cc1cccc(C)c1 ZINC000822303736 607208838 /nfs/dbraw/zinc/20/88/38/607208838.db2.gz HLYPTKRWRGXAGZ-UHFFFAOYSA-N -1 1 395.452 1.761 20 0 GDADMM C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000820703502 607209027 /nfs/dbraw/zinc/20/90/27/607209027.db2.gz GLQKWWMULIYMOW-GFCCVEGCSA-N -1 1 395.427 1.112 20 0 GDADMM C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(-c2ccncc2)cc1 ZINC000820333448 607220723 /nfs/dbraw/zinc/22/07/23/607220723.db2.gz CBQHPMUHVXINKR-GFCCVEGCSA-N -1 1 375.396 1.398 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N(CCc1cccc(F)c1)C1CCCC1 ZINC000823122707 607223193 /nfs/dbraw/zinc/22/31/93/607223193.db2.gz GSPJCNIDCDPLTC-UHFFFAOYSA-N -1 1 384.419 1.611 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)NCCSCCCO)c1-c1nn[n-]n1 ZINC000821988714 607223640 /nfs/dbraw/zinc/22/36/40/607223640.db2.gz GOBQCVMIBWFMBJ-UHFFFAOYSA-N -1 1 394.526 1.706 20 0 GDADMM Cc1cc(COC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)ncn1 ZINC000826267094 607801722 /nfs/dbraw/zinc/80/17/22/607801722.db2.gz PMHYOQPDOOMDTE-UHFFFAOYSA-N -1 1 393.411 1.301 20 0 GDADMM Cc1cc(COC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)ncn1 ZINC000826267094 607801723 /nfs/dbraw/zinc/80/17/23/607801723.db2.gz PMHYOQPDOOMDTE-UHFFFAOYSA-N -1 1 393.411 1.301 20 0 GDADMM C[C@@H]1OCC[C@H]1SCC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000825020814 607845345 /nfs/dbraw/zinc/84/53/45/607845345.db2.gz MGXLKZSVOQTHPJ-SMDDNHRTSA-N -1 1 385.453 1.902 20 0 GDADMM C[C@@H]1OCC[C@H]1SCC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000825020814 607845346 /nfs/dbraw/zinc/84/53/46/607845346.db2.gz MGXLKZSVOQTHPJ-SMDDNHRTSA-N -1 1 385.453 1.902 20 0 GDADMM O=S(=O)(N[C@H](CO)CC1CC1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826487638 607853164 /nfs/dbraw/zinc/85/31/64/607853164.db2.gz VIPAQXUATCYTCM-JTQLQIEISA-N -1 1 391.375 1.325 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCc1cccc(N(C)C)n1 ZINC000826340747 607855882 /nfs/dbraw/zinc/85/58/82/607855882.db2.gz JHURMWXYCSSWLA-UHFFFAOYSA-N -1 1 392.423 1.950 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NCc1cccc(N(C)C)n1 ZINC000826340747 607855883 /nfs/dbraw/zinc/85/58/83/607855883.db2.gz JHURMWXYCSSWLA-UHFFFAOYSA-N -1 1 392.423 1.950 20 0 GDADMM C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000824936006 607864157 /nfs/dbraw/zinc/86/41/57/607864157.db2.gz DLDUJAWUQHDCHI-ZYHUDNBSSA-N -1 1 376.392 1.789 20 0 GDADMM C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000824936006 607864158 /nfs/dbraw/zinc/86/41/58/607864158.db2.gz DLDUJAWUQHDCHI-ZYHUDNBSSA-N -1 1 376.392 1.789 20 0 GDADMM O=c1ccc2cc(S(=O)(=O)Oc3cccc(F)c3-c3nnn[n-]3)ccc2[nH]1 ZINC000826501900 607867286 /nfs/dbraw/zinc/86/72/86/607867286.db2.gz LNEFERAFZADVMT-UHFFFAOYSA-N -1 1 387.352 1.615 20 0 GDADMM O=c1ccc2cc(S(=O)(=O)Oc3cccc(F)c3-c3nn[n-]n3)ccc2[nH]1 ZINC000826501900 607867287 /nfs/dbraw/zinc/86/72/87/607867287.db2.gz LNEFERAFZADVMT-UHFFFAOYSA-N -1 1 387.352 1.615 20 0 GDADMM O=c1ccc2cc(S(=O)(=O)Oc3cccc(F)c3-c3nnn[n-]3)ccc2o1 ZINC000826501793 607868326 /nfs/dbraw/zinc/86/83/26/607868326.db2.gz HLQGNLRKOPZDPB-UHFFFAOYSA-N -1 1 388.336 1.880 20 0 GDADMM O=c1ccc2cc(S(=O)(=O)Oc3cccc(F)c3-c3nn[n-]n3)ccc2o1 ZINC000826501793 607868327 /nfs/dbraw/zinc/86/83/27/607868327.db2.gz HLQGNLRKOPZDPB-UHFFFAOYSA-N -1 1 388.336 1.880 20 0 GDADMM CC[C@@H](NC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C)[C@H]1CCCO1 ZINC000825133563 607912429 /nfs/dbraw/zinc/91/24/29/607912429.db2.gz NTVKYMOVSIKFKG-HZPDHXFCSA-N -1 1 398.471 1.533 20 0 GDADMM CC[C@@H](NC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C)[C@H]1CCCO1 ZINC000825133563 607912430 /nfs/dbraw/zinc/91/24/30/607912430.db2.gz NTVKYMOVSIKFKG-HZPDHXFCSA-N -1 1 398.471 1.533 20 0 GDADMM Cc1nn(-c2ccccc2)c(COC(=O)C[C@](C)(O)C2CC2)c1-c1nn[n-]n1 ZINC000826332908 607917804 /nfs/dbraw/zinc/91/78/04/607917804.db2.gz MLSBEBMBSWOMOK-IBGZPJMESA-N -1 1 382.424 1.955 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCC[C@H]2Cn2cnc3ccccc32)n1 ZINC000826356729 607920068 /nfs/dbraw/zinc/92/00/68/607920068.db2.gz CUJAKQITAHIQRT-LBPRGKRZSA-N -1 1 392.427 1.646 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC[C@H]2Cn2cnc3ccccc32)n1 ZINC000826356729 607920069 /nfs/dbraw/zinc/92/00/69/607920069.db2.gz CUJAKQITAHIQRT-LBPRGKRZSA-N -1 1 392.427 1.646 20 0 GDADMM Cc1cc(S(C)(=O)=O)cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c1C ZINC000826272251 607997454 /nfs/dbraw/zinc/99/74/54/607997454.db2.gz AIUSTRXDHSHVQW-UHFFFAOYSA-N -1 1 387.421 1.845 20 0 GDADMM CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000825049559 607999218 /nfs/dbraw/zinc/99/92/18/607999218.db2.gz CPVALVQZWXPMFO-CABZTGNLSA-N -1 1 376.442 1.458 20 0 GDADMM Cc1cc(=O)c(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])nn1-c1ccccc1 ZINC000826256264 607999575 /nfs/dbraw/zinc/99/95/75/607999575.db2.gz ALJFFJNILVARSF-UHFFFAOYSA-N -1 1 389.375 1.679 20 0 GDADMM COCc1nc(C)c(C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)s1 ZINC000826165461 608005646 /nfs/dbraw/zinc/00/56/46/608005646.db2.gz WAQMIODWFITLCE-UHFFFAOYSA-N -1 1 376.446 1.982 20 0 GDADMM COCc1nc(C)c(C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)s1 ZINC000826165461 608005647 /nfs/dbraw/zinc/00/56/47/608005647.db2.gz WAQMIODWFITLCE-UHFFFAOYSA-N -1 1 376.446 1.982 20 0 GDADMM CCOC(=O)C[C@@H](C)CNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000825499656 608026980 /nfs/dbraw/zinc/02/69/80/608026980.db2.gz QFFGNNSSZGMFGB-SNVBAGLBSA-N -1 1 390.444 1.222 20 0 GDADMM O=C(CN1CCOC[C@H]1C1CC1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000826410997 608045852 /nfs/dbraw/zinc/04/58/52/608045852.db2.gz GWWHZVOLIIJCDX-INIZCTEOSA-N -1 1 394.439 1.102 20 0 GDADMM O=C(CN1CCOC[C@H]1C1CC1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000826410997 608045853 /nfs/dbraw/zinc/04/58/53/608045853.db2.gz GWWHZVOLIIJCDX-INIZCTEOSA-N -1 1 394.439 1.102 20 0 GDADMM O=C(NCc1nn[n-]n1)c1ccc(Oc2ccccc2-c2nn[nH]n2)c(Cl)c1 ZINC000826443716 608064944 /nfs/dbraw/zinc/06/49/44/608064944.db2.gz ABWMCRAJTQORFO-UHFFFAOYSA-N -1 1 397.786 1.756 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OC[C@H]1CC[C@H](C)O1 ZINC000826328464 608076654 /nfs/dbraw/zinc/07/66/54/608076654.db2.gz RVGKUWYEHJHMAX-GXFFZTMASA-N -1 1 385.428 1.570 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OC[C@H]1CC[C@H](C)O1 ZINC000826328464 608076655 /nfs/dbraw/zinc/07/66/55/608076655.db2.gz RVGKUWYEHJHMAX-GXFFZTMASA-N -1 1 385.428 1.570 20 0 GDADMM C[C@@]1(NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCO[C@H]1C1CC1 ZINC000824838239 608128018 /nfs/dbraw/zinc/12/80/18/608128018.db2.gz NNEDXXNESHMKPO-DZGCQCFKSA-N -1 1 383.861 1.756 20 0 GDADMM C[C@@]1(NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCO[C@H]1C1CC1 ZINC000824838239 608128019 /nfs/dbraw/zinc/12/80/19/608128019.db2.gz NNEDXXNESHMKPO-DZGCQCFKSA-N -1 1 383.861 1.756 20 0 GDADMM Cc1oc(NC(=O)[C@@H](C)N(C)CC(=O)OC(C)(C)C)c(-c2nn[n-]n2)c1C ZINC000826340721 608154960 /nfs/dbraw/zinc/15/49/60/608154960.db2.gz IJDKZMSPOZORSG-SNVBAGLBSA-N -1 1 378.433 1.677 20 0 GDADMM Cc1ocnc1CNC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000826342467 608164252 /nfs/dbraw/zinc/16/42/52/608164252.db2.gz LTEHIHAYIJNSPR-UHFFFAOYSA-N -1 1 399.415 1.060 20 0 GDADMM C[C@H](O)CNC(=O)c1cccc(Oc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000824706851 608183862 /nfs/dbraw/zinc/18/38/62/608183862.db2.gz KMOQZRODLDKATO-ZETCQYMHSA-N -1 1 380.817 1.880 20 0 GDADMM C[C@H](CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccccc1F ZINC000824385154 608210825 /nfs/dbraw/zinc/21/08/25/608210825.db2.gz NDWNJQIMKAVVSM-LLVKDONJSA-N -1 1 386.435 1.896 20 0 GDADMM C[C@H](CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccccc1F ZINC000824385154 608210826 /nfs/dbraw/zinc/21/08/26/608210826.db2.gz NDWNJQIMKAVVSM-LLVKDONJSA-N -1 1 386.435 1.896 20 0 GDADMM Cc1oc(NC(=O)CN2CCN3CCOc4cccc2c43)c(-c2nn[n-]n2)c1C ZINC000826341384 608212537 /nfs/dbraw/zinc/21/25/37/608212537.db2.gz GIIPYSRVQDQEAC-UHFFFAOYSA-N -1 1 395.423 1.734 20 0 GDADMM CCC(=O)[C@H]1CCCCN1C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000825029405 608214039 /nfs/dbraw/zinc/21/40/39/608214039.db2.gz RMZSEBNNQZVJEK-CQSZACIVSA-N -1 1 386.456 1.877 20 0 GDADMM Cc1nn(Cc2ccc(Oc3ccccc3)nn2)c(=O)c(-c2nn[n-]n2)c1C ZINC000826334817 608231178 /nfs/dbraw/zinc/23/11/78/608231178.db2.gz KUDJJLXUOTZCRJ-UHFFFAOYSA-N -1 1 376.380 1.671 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCC(C)(C)CCCO ZINC000826232992 608279085 /nfs/dbraw/zinc/27/90/85/608279085.db2.gz PTRRITBSQTYQMR-UHFFFAOYSA-N -1 1 376.461 1.432 20 0 GDADMM CSc1cc(CNC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)ccn1 ZINC000826230050 608280418 /nfs/dbraw/zinc/28/04/18/608280418.db2.gz BNPWJWAYKQPLMO-UHFFFAOYSA-N -1 1 389.466 1.736 20 0 GDADMM CCCCn1cc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c(C)n1 ZINC000825301905 608302656 /nfs/dbraw/zinc/30/26/56/608302656.db2.gz SERBXHDMEBNYCF-UHFFFAOYSA-N -1 1 393.448 1.789 20 0 GDADMM CCCCn1cc(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c(C)n1 ZINC000825301905 608302659 /nfs/dbraw/zinc/30/26/59/608302659.db2.gz SERBXHDMEBNYCF-UHFFFAOYSA-N -1 1 393.448 1.789 20 0 GDADMM C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@H](C)c1ccccc1C(F)(F)F ZINC000824487732 608316033 /nfs/dbraw/zinc/31/60/33/608316033.db2.gz CEUUVGZEFGNQFZ-VHSXEESVSA-N -1 1 394.361 1.785 20 0 GDADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1cc(-c2nn[nH]n2)cs1 ZINC000826223305 608336373 /nfs/dbraw/zinc/33/63/73/608336373.db2.gz ILYSGJRUUUOHNA-UHFFFAOYSA-N -1 1 382.402 1.691 20 0 GDADMM C[C@@H](c1ccccc1)N(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824770203 608340461 /nfs/dbraw/zinc/34/04/61/608340461.db2.gz GKRUDRXNJODDDU-LBPRGKRZSA-N -1 1 396.455 1.976 20 0 GDADMM C[C@@H](c1ccccc1)N(C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824770203 608340463 /nfs/dbraw/zinc/34/04/63/608340463.db2.gz GKRUDRXNJODDDU-LBPRGKRZSA-N -1 1 396.455 1.976 20 0 GDADMM CN(Cc1cccs1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825986042 608340895 /nfs/dbraw/zinc/34/08/95/608340895.db2.gz LWNPLONMNHNEKA-UHFFFAOYSA-N -1 1 388.457 1.477 20 0 GDADMM CN(Cc1cccs1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825986042 608340898 /nfs/dbraw/zinc/34/08/98/608340898.db2.gz LWNPLONMNHNEKA-UHFFFAOYSA-N -1 1 388.457 1.477 20 0 GDADMM CC(C)c1nnnn1CC(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000824364518 608346927 /nfs/dbraw/zinc/34/69/27/608346927.db2.gz JXYKQAYERBJKAY-UHFFFAOYSA-N -1 1 375.462 1.974 20 0 GDADMM CC(C)c1nnnn1CC(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000824364518 608346929 /nfs/dbraw/zinc/34/69/29/608346929.db2.gz JXYKQAYERBJKAY-UHFFFAOYSA-N -1 1 375.462 1.974 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N2CC[C@H](c3ccco3)C2)n1 ZINC000824141049 608352559 /nfs/dbraw/zinc/35/25/59/608352559.db2.gz BKDBQCJJQUVSGS-NSHDSACASA-N -1 1 398.427 1.366 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N2CC[C@H](c3ccco3)C2)n1 ZINC000824141049 608352560 /nfs/dbraw/zinc/35/25/60/608352560.db2.gz BKDBQCJJQUVSGS-NSHDSACASA-N -1 1 398.427 1.366 20 0 GDADMM Cn1c2ccccc2nc1N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000826355933 608365804 /nfs/dbraw/zinc/36/58/04/608365804.db2.gz TZZBHCPXYHBODT-UHFFFAOYSA-N -1 1 391.439 1.945 20 0 GDADMM O=C(NC[C@H]1CCCO1)c1cccc(CNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826435803 608406072 /nfs/dbraw/zinc/40/60/72/608406072.db2.gz XYUSRYNUFWFPIK-CQSZACIVSA-N -1 1 380.412 1.178 20 0 GDADMM O=C(NC[C@H]1CCCO1)c1cccc(CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826435803 608406073 /nfs/dbraw/zinc/40/60/73/608406073.db2.gz XYUSRYNUFWFPIK-CQSZACIVSA-N -1 1 380.412 1.178 20 0 GDADMM COc1ccc(Cc2nnc(Sc3ccc(-c4nnn[n-]4)nn3)o2)cc1OC ZINC000826208278 608419990 /nfs/dbraw/zinc/41/99/90/608419990.db2.gz CCQMOBHPCCCLJE-UHFFFAOYSA-N -1 1 398.408 1.799 20 0 GDADMM COc1ccc(Cc2nnc(Sc3ccc(-c4nn[n-]n4)nn3)o2)cc1OC ZINC000826208278 608419991 /nfs/dbraw/zinc/41/99/91/608419991.db2.gz CCQMOBHPCCCLJE-UHFFFAOYSA-N -1 1 398.408 1.799 20 0 GDADMM OC[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)Cc1ccc(OC(F)(F)F)cc1 ZINC000826507911 608434754 /nfs/dbraw/zinc/43/47/54/608434754.db2.gz YKYAGFTVDYHTIA-LLVKDONJSA-N -1 1 395.345 1.818 20 0 GDADMM OC[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)Cc1ccc(OC(F)(F)F)cc1 ZINC000826507911 608434755 /nfs/dbraw/zinc/43/47/55/608434755.db2.gz YKYAGFTVDYHTIA-LLVKDONJSA-N -1 1 395.345 1.818 20 0 GDADMM CCOc1ccccc1C(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000825653674 608521196 /nfs/dbraw/zinc/52/11/96/608521196.db2.gz HSZCRKLCZOPCNV-UHFFFAOYSA-N -1 1 382.424 1.816 20 0 GDADMM CCOc1ccccc1C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000825653674 608521197 /nfs/dbraw/zinc/52/11/97/608521197.db2.gz HSZCRKLCZOPCNV-UHFFFAOYSA-N -1 1 382.424 1.816 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1ccc(F)c(F)c1F ZINC000825929489 608549391 /nfs/dbraw/zinc/54/93/91/608549391.db2.gz GTIFZTRKSDLYFK-UHFFFAOYSA-N -1 1 395.349 1.686 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1ccc(F)c(F)c1F ZINC000825929489 608549393 /nfs/dbraw/zinc/54/93/93/608549393.db2.gz GTIFZTRKSDLYFK-UHFFFAOYSA-N -1 1 395.349 1.686 20 0 GDADMM CC(=O)c1ccc(CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000824024605 608556362 /nfs/dbraw/zinc/55/63/62/608556362.db2.gz LTYPOOQFWRYZJC-UHFFFAOYSA-N -1 1 382.428 1.008 20 0 GDADMM CC(=O)c1ccc(CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000824024605 608556363 /nfs/dbraw/zinc/55/63/63/608556363.db2.gz LTYPOOQFWRYZJC-UHFFFAOYSA-N -1 1 382.428 1.008 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ncoc1-c1ccccc1 ZINC000825935034 608556770 /nfs/dbraw/zinc/55/67/70/608556770.db2.gz SHEPNAWPMIEFIY-UHFFFAOYSA-N -1 1 393.411 1.532 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1ncoc1-c1ccccc1 ZINC000825935034 608556772 /nfs/dbraw/zinc/55/67/72/608556772.db2.gz SHEPNAWPMIEFIY-UHFFFAOYSA-N -1 1 393.411 1.532 20 0 GDADMM Cc1ccc2cc(C(=O)N(C)CCCc3[nH]nc(N)c3-c3nnn[n-]3)ccc2n1 ZINC000826294823 608558274 /nfs/dbraw/zinc/55/82/74/608558274.db2.gz FDHUOXGBXGIGDD-UHFFFAOYSA-N -1 1 391.439 1.733 20 0 GDADMM Cc1ccc2cc(C(=O)N(C)CCCc3[nH]nc(N)c3-c3nn[n-]n3)ccc2n1 ZINC000826294823 608558276 /nfs/dbraw/zinc/55/82/76/608558276.db2.gz FDHUOXGBXGIGDD-UHFFFAOYSA-N -1 1 391.439 1.733 20 0 GDADMM COc1cccc([C@@H](C)CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000826214234 608558318 /nfs/dbraw/zinc/55/83/18/608558318.db2.gz FOIVDQWPKZFWMP-LBPRGKRZSA-N -1 1 398.471 1.765 20 0 GDADMM COc1cccc([C@@H](C)CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000826214234 608558320 /nfs/dbraw/zinc/55/83/20/608558320.db2.gz FOIVDQWPKZFWMP-LBPRGKRZSA-N -1 1 398.471 1.765 20 0 GDADMM Cc1ccc(/C=C/CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000826285622 608558508 /nfs/dbraw/zinc/55/85/08/608558508.db2.gz FDRHEQJJDSBUDB-HWKANZROSA-N -1 1 380.456 1.975 20 0 GDADMM Cc1ccc(/C=C/CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000826285622 608558509 /nfs/dbraw/zinc/55/85/09/608558509.db2.gz FDRHEQJJDSBUDB-HWKANZROSA-N -1 1 380.456 1.975 20 0 GDADMM Cc1ccc(F)c(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1F ZINC000826289358 608559867 /nfs/dbraw/zinc/55/98/67/608559867.db2.gz XASMAMXCTNVFFJ-UHFFFAOYSA-N -1 1 376.371 1.463 20 0 GDADMM Cc1ccc(F)c(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1F ZINC000826289358 608559869 /nfs/dbraw/zinc/55/98/69/608559869.db2.gz XASMAMXCTNVFFJ-UHFFFAOYSA-N -1 1 376.371 1.463 20 0 GDADMM Cc1cc(F)c(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1F ZINC000826268356 608559955 /nfs/dbraw/zinc/55/99/55/608559955.db2.gz UDRIVZVSWBSVQO-UHFFFAOYSA-N -1 1 376.371 1.463 20 0 GDADMM Cc1cc(F)c(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1F ZINC000826268356 608559957 /nfs/dbraw/zinc/55/99/57/608559957.db2.gz UDRIVZVSWBSVQO-UHFFFAOYSA-N -1 1 376.371 1.463 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCC(c2cccnc2)CC1 ZINC000826496024 608563126 /nfs/dbraw/zinc/56/31/26/608563126.db2.gz IVGZMDZPHBOXDN-UHFFFAOYSA-N -1 1 388.428 1.969 20 0 GDADMM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCC(c2cccnc2)CC1 ZINC000826496024 608563127 /nfs/dbraw/zinc/56/31/27/608563127.db2.gz IVGZMDZPHBOXDN-UHFFFAOYSA-N -1 1 388.428 1.969 20 0 GDADMM O=C(Cc1ccccc1Cl)N1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000826423823 608636889 /nfs/dbraw/zinc/63/68/89/608636889.db2.gz IMJWYAOZFPEWMR-UHFFFAOYSA-N -1 1 386.843 2.000 20 0 GDADMM O=C(Cc1ccccc1Cl)N1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000826423823 608636890 /nfs/dbraw/zinc/63/68/90/608636890.db2.gz IMJWYAOZFPEWMR-UHFFFAOYSA-N -1 1 386.843 2.000 20 0 GDADMM Cc1ccc(S(=O)(=O)NCCN(C)Cc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000826292975 608728792 /nfs/dbraw/zinc/72/87/92/608728792.db2.gz VMJABPDROXSDTM-UHFFFAOYSA-N -1 1 376.442 1.178 20 0 GDADMM Cc1ccc(S(=O)(=O)NCCN(C)Cc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000826292975 608728794 /nfs/dbraw/zinc/72/87/94/608728794.db2.gz VMJABPDROXSDTM-UHFFFAOYSA-N -1 1 376.442 1.178 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@H]1CCO[C@@H](C)C1 ZINC000826328122 608829263 /nfs/dbraw/zinc/82/92/63/608829263.db2.gz GWQGCMJLYDFOSP-GWCFXTLKSA-N -1 1 384.444 1.143 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@H]1CCO[C@@H](C)C1 ZINC000826328122 608829267 /nfs/dbraw/zinc/82/92/67/608829267.db2.gz GWQGCMJLYDFOSP-GWCFXTLKSA-N -1 1 384.444 1.143 20 0 GDADMM O=C(Cn1ccnc1-c1nnn[n-]1)NCc1ccccc1COc1ccccc1 ZINC000826425090 608888644 /nfs/dbraw/zinc/88/86/44/608888644.db2.gz PNRLJLSOMZRUEY-UHFFFAOYSA-N -1 1 389.419 1.959 20 0 GDADMM O=C(Cn1ccnc1-c1nn[n-]n1)NCc1ccccc1COc1ccccc1 ZINC000826425090 608888646 /nfs/dbraw/zinc/88/86/46/608888646.db2.gz PNRLJLSOMZRUEY-UHFFFAOYSA-N -1 1 389.419 1.959 20 0 GDADMM CC(C)[C@H](NC(=O)Cn1ccnc1-c1nnn[n-]1)c1ccc2c(c1)OCCO2 ZINC000824191031 608893436 /nfs/dbraw/zinc/89/34/36/608893436.db2.gz CJBQGWQCTIDJOX-INIZCTEOSA-N -1 1 383.412 1.348 20 0 GDADMM CC(C)[C@H](NC(=O)Cn1ccnc1-c1nn[n-]n1)c1ccc2c(c1)OCCO2 ZINC000824191031 608893440 /nfs/dbraw/zinc/89/34/40/608893440.db2.gz CJBQGWQCTIDJOX-INIZCTEOSA-N -1 1 383.412 1.348 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1cccc2[nH]ccc21 ZINC000825929252 609156908 /nfs/dbraw/zinc/15/69/08/609156908.db2.gz DQAQJFJWBQOISR-UHFFFAOYSA-N -1 1 380.416 1.750 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1cccc2[nH]ccc21 ZINC000825929252 609156909 /nfs/dbraw/zinc/15/69/09/609156909.db2.gz DQAQJFJWBQOISR-UHFFFAOYSA-N -1 1 380.416 1.750 20 0 GDADMM Cc1ccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c2n[nH]cc21 ZINC000826290858 609158320 /nfs/dbraw/zinc/15/83/20/609158320.db2.gz DBOBHQNYHDLJOC-UHFFFAOYSA-N -1 1 395.431 1.453 20 0 GDADMM Cc1ccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c2n[nH]cc21 ZINC000826290858 609158322 /nfs/dbraw/zinc/15/83/22/609158322.db2.gz DBOBHQNYHDLJOC-UHFFFAOYSA-N -1 1 395.431 1.453 20 0 GDADMM CCCc1csc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)n1 ZINC000825348408 609162656 /nfs/dbraw/zinc/16/26/56/609162656.db2.gz JFMKLPCSAICYGM-UHFFFAOYSA-N -1 1 390.477 1.678 20 0 GDADMM CCCc1csc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)n1 ZINC000825348408 609162658 /nfs/dbraw/zinc/16/26/58/609162658.db2.gz JFMKLPCSAICYGM-UHFFFAOYSA-N -1 1 390.477 1.678 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1ccc2c(c1)COC2 ZINC000825930721 609162768 /nfs/dbraw/zinc/16/27/68/609162768.db2.gz XFAOBGJTWMILOC-UHFFFAOYSA-N -1 1 383.416 1.299 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1ccc2c(c1)COC2 ZINC000825930721 609162770 /nfs/dbraw/zinc/16/27/70/609162770.db2.gz XFAOBGJTWMILOC-UHFFFAOYSA-N -1 1 383.416 1.299 20 0 GDADMM CCc1c(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cnn1C ZINC000825687640 609289034 /nfs/dbraw/zinc/28/90/34/609289034.db2.gz KXGXGNQQVYHRKX-UHFFFAOYSA-N -1 1 381.375 1.740 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCCC[C@@H]1[C@@H](C)O ZINC000826328595 609295446 /nfs/dbraw/zinc/29/54/46/609295446.db2.gz WSBLVIMKHPDIGY-CZUORRHYSA-N -1 1 398.471 1.221 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCCC[C@@H]1[C@@H](C)O ZINC000826328595 609295448 /nfs/dbraw/zinc/29/54/48/609295448.db2.gz WSBLVIMKHPDIGY-CZUORRHYSA-N -1 1 398.471 1.221 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCc1cccc(Cl)c1 ZINC000825929484 609298953 /nfs/dbraw/zinc/29/89/53/609298953.db2.gz GREJFZFCABJFLZ-UHFFFAOYSA-N -1 1 389.851 1.600 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCc1cccc(Cl)c1 ZINC000825929484 609298956 /nfs/dbraw/zinc/29/89/56/609298956.db2.gz GREJFZFCABJFLZ-UHFFFAOYSA-N -1 1 389.851 1.600 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N(C)c2ccc3c(c2)OCO3)cc1-c1nn[n-]n1 ZINC000826229401 609301390 /nfs/dbraw/zinc/30/13/90/609301390.db2.gz CQAXQMXWXCYDDE-UHFFFAOYSA-N -1 1 386.393 1.695 20 0 GDADMM COC(=O)[C@@H]1CCCCCN1C(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000826133468 609302921 /nfs/dbraw/zinc/30/29/21/609302921.db2.gz MKBGJISKENNQAZ-NSHDSACASA-N -1 1 392.441 1.247 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NC[C@H]1CCc2ccccc21 ZINC000825930677 609302927 /nfs/dbraw/zinc/30/29/27/609302927.db2.gz WHJCXCRIWNCLJV-CYBMUJFWSA-N -1 1 395.471 1.476 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NC[C@H]1CCc2ccccc21 ZINC000825930677 609302929 /nfs/dbraw/zinc/30/29/29/609302929.db2.gz WHJCXCRIWNCLJV-CYBMUJFWSA-N -1 1 395.471 1.476 20 0 GDADMM CC(C)CSCCCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824276024 609309245 /nfs/dbraw/zinc/30/92/45/609309245.db2.gz XALASAVPYMYGDO-UHFFFAOYSA-N -1 1 395.537 1.525 20 0 GDADMM CC(C)CSCCCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824276024 609309247 /nfs/dbraw/zinc/30/92/47/609309247.db2.gz XALASAVPYMYGDO-UHFFFAOYSA-N -1 1 395.537 1.525 20 0 GDADMM O=C(CCCn1cncn1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826406581 609313248 /nfs/dbraw/zinc/31/32/48/609313248.db2.gz CSDQMXVEBLFXLW-UHFFFAOYSA-N -1 1 382.363 1.202 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)C(F)(F)C1(O)CCC1 ZINC000826458053 609313586 /nfs/dbraw/zinc/31/35/86/609313586.db2.gz AQBPNZRSQMGYJD-UHFFFAOYSA-N -1 1 393.329 1.680 20 0 GDADMM COC(=O)[C@H]1CCCCCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826133280 609318392 /nfs/dbraw/zinc/31/83/92/609318392.db2.gz LFEDCXUDUUTMOV-CYBMUJFWSA-N -1 1 383.405 1.112 20 0 GDADMM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCC[C@H](OC(F)F)C1 ZINC000826495546 609319035 /nfs/dbraw/zinc/31/90/35/609319035.db2.gz SVSOXQBNJHNMPM-VIFPVBQESA-N -1 1 377.348 1.398 20 0 GDADMM COc1c(CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)c(C)nn1C ZINC000826167323 609319610 /nfs/dbraw/zinc/31/96/10/609319610.db2.gz YKHGFCPGUJVIIZ-UHFFFAOYSA-N -1 1 383.391 1.854 20 0 GDADMM C[C@H](NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1cnn(C)c1 ZINC000824506716 609355483 /nfs/dbraw/zinc/35/54/83/609355483.db2.gz PYNARRCAMIOSOZ-JTQLQIEISA-N -1 1 396.390 1.808 20 0 GDADMM O=C(NCCc1cnccn1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826439714 609366931 /nfs/dbraw/zinc/36/69/31/609366931.db2.gz HDHLUNUTEJQQRT-UHFFFAOYSA-N -1 1 394.374 1.346 20 0 GDADMM C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000824400408 609380287 /nfs/dbraw/zinc/38/02/87/609380287.db2.gz HIYUGASJTGYVOV-SECBINFHSA-N -1 1 379.425 1.025 20 0 GDADMM C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000824400408 609380290 /nfs/dbraw/zinc/38/02/90/609380290.db2.gz HIYUGASJTGYVOV-SECBINFHSA-N -1 1 379.425 1.025 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OC[C@@H]1CCO[C@H](C)C1 ZINC000826233114 609387856 /nfs/dbraw/zinc/38/78/56/609387856.db2.gz UPELTHYCCXKSMZ-ZWNOBZJWSA-N -1 1 375.429 1.875 20 0 GDADMM Cc1ccc(NC(=O)N2CCN(Cc3ccnc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826290940 609423855 /nfs/dbraw/zinc/42/38/55/609423855.db2.gz HWVNWQULLDFPSS-UHFFFAOYSA-N -1 1 378.440 1.920 20 0 GDADMM Cc1onc(CC(=O)NC2(CCOCc3ccccc3)CC2)c1-c1nnn[n-]1 ZINC000826346758 609468211 /nfs/dbraw/zinc/46/82/11/609468211.db2.gz VAOSJYVJURCKQY-UHFFFAOYSA-N -1 1 382.424 1.961 20 0 GDADMM Cc1onc(CC(=O)NC2(CCOCc3ccccc3)CC2)c1-c1nn[n-]n1 ZINC000826346758 609468212 /nfs/dbraw/zinc/46/82/12/609468212.db2.gz VAOSJYVJURCKQY-UHFFFAOYSA-N -1 1 382.424 1.961 20 0 GDADMM Nc1n[nH]c(CCCNc2nnc(Cc3ccccc3)s2)c1-c1nnn[n-]1 ZINC000826395056 609524198 /nfs/dbraw/zinc/52/41/98/609524198.db2.gz LHOCICVLGWCZDB-UHFFFAOYSA-N -1 1 382.457 1.659 20 0 GDADMM Nc1n[nH]c(CCCNc2nnc(Cc3ccccc3)s2)c1-c1nn[n-]n1 ZINC000826395056 609524201 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CC(=O)N1CC[C@@H](CNC(=O)c2ccc(I)c([O-])c2)C1 ZINC000552350531 650623947 /nfs/dbraw/zinc/62/39/47/650623947.db2.gz FZAGUFCBPFYHOH-JTQLQIEISA-N -1 1 388.205 1.595 20 0 GDADMM COC(=O)[C@@H](CNC(=O)c1ncccc1[O-])Oc1ccc(Br)cc1 ZINC000552816078 650632649 /nfs/dbraw/zinc/63/26/49/650632649.db2.gz CLXBXCUVOQPFCB-CYBMUJFWSA-N -1 1 395.209 1.900 20 0 GDADMM NS(=O)(=O)c1ccccc1C[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000553576733 650651971 /nfs/dbraw/zinc/65/19/71/650651971.db2.gz INKADMJWZDRPLZ-UHFFFAOYSA-N -1 1 396.824 1.744 20 0 GDADMM COCC1(NC(=O)c2ccc(I)c([O-])c2)CCOCC1 ZINC000554358684 650674054 /nfs/dbraw/zinc/67/40/54/650674054.db2.gz LZWMPQBZRIALCM-UHFFFAOYSA-N -1 1 391.205 1.922 20 0 GDADMM CC(C)(NC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21)c1nn[n-]n1 ZINC000556027687 650698468 /nfs/dbraw/zinc/69/84/68/650698468.db2.gz LOAOHMMMKLIHIE-VIFPVBQESA-N -1 1 379.218 1.440 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2C(=O)OCC2(C)C)c1F ZINC000916225475 660189111 /nfs/dbraw/zinc/18/91/11/660189111.db2.gz 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COc1ccc(C(=O)[N-]C(=O)CSc2nnc(C(F)(F)F)n2N)cc1 ZINC000022433165 644265693 /nfs/dbraw/zinc/26/56/93/644265693.db2.gz KJMKSZULPMEQGK-UHFFFAOYSA-N -1 1 375.332 1.068 20 0 GDADMM CC(=O)N[N-]C(=O)c1cc(S(=O)(=O)NCC(C)C)ccc1Br ZINC000048089271 644384753 /nfs/dbraw/zinc/38/47/53/644384753.db2.gz OFLYVPFXXAVIOT-UHFFFAOYSA-N -1 1 392.275 1.164 20 0 GDADMM Nc1c(Br)cccc1C(=O)OCC(=O)N[N-]C(=O)c1cccs1 ZINC000061454023 644512856 /nfs/dbraw/zinc/51/28/56/644512856.db2.gz VRXXYULQWCZBNG-UHFFFAOYSA-N -1 1 398.238 1.711 20 0 GDADMM C[C@@H]1CC[C@@H](NS(=O)(=O)CCCCS(=O)(=O)[N-]c2c[nH]cn2)C[C@H]1C ZINC000568254022 650945475 /nfs/dbraw/zinc/94/54/75/650945475.db2.gz LJUWRBTZMXHZOP-MGPQQGTHSA-N -1 1 392.547 1.676 20 0 GDADMM O=S(=O)([N-]C1(C(F)F)CC1)c1ccccc1S(=O)(=O)NCC(F)F ZINC000568254335 650945716 /nfs/dbraw/zinc/94/57/16/650945716.db2.gz DKLGHVLFHBJPHD-UHFFFAOYSA-N -1 1 390.380 1.306 20 0 GDADMM Cn1cnc(S(=O)(=O)[N-]C[C@H](O)c2ccc(OC(F)(F)F)cc2)c1Cl ZINC000160590955 644849069 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CO[C@@H](CS(=O)(=O)[N-][C@@H]1CS(=O)(=O)c2ccccc21)c1ccccc1 ZINC000295180412 645208651 /nfs/dbraw/zinc/20/86/51/645208651.db2.gz POHHTXBCCZKJLP-CVEARBPZSA-N -1 1 381.475 1.822 20 0 GDADMM CC[C@@H]([N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)[C@H](O)C(F)F ZINC000295780903 645214722 /nfs/dbraw/zinc/21/47/22/645214722.db2.gz QNYNMMJJBFYJAU-XRGYYRRGSA-N -1 1 397.874 1.488 20 0 GDADMM NS(=O)(=O)c1ccc(C(=O)[N-]c2nnc(C3CCOCC3)s2)c(F)c1 ZINC000569262599 650991956 /nfs/dbraw/zinc/99/19/56/650991956.db2.gz MWOIBLSFVZEUSS-UHFFFAOYSA-N -1 1 386.430 1.471 20 0 GDADMM NC(=O)CCCCNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000569398616 650997788 /nfs/dbraw/zinc/99/77/88/650997788.db2.gz IACOZYFIQCYOFJ-UHFFFAOYSA-N -1 1 382.269 1.044 20 0 GDADMM Cc1onc(N)c1S(=O)(=O)[N-][C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000329864617 645333797 /nfs/dbraw/zinc/33/37/97/645333797.db2.gz ZTUCBIXFNMHYAK-QWHCGFSZSA-N -1 1 388.852 2.081 20 0 GDADMM NC(=O)[C@@H]1CN(C(=O)c2ccc(I)c([O-])c2)CCO1 ZINC000330851406 645429092 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/nfs/dbraw/zinc/31/48/26/659314826.db2.gz GBVHIQZXMLKBNH-BWBHSNQOSA-N -1 1 383.242 1.930 20 0 GDADMM Cc1noc([C@@H](CCS(C)(=O)=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000904578402 659403857 /nfs/dbraw/zinc/40/38/57/659403857.db2.gz DXMBIGWCAVPOGY-GFCCVEGCSA-N -1 1 393.874 1.486 20 0 GDADMM C[C@H](c1noc([C@]2(C(=O)[O-])CNCCO2)n1)c1ccc(Br)cc1 ZINC000904678173 659405992 /nfs/dbraw/zinc/40/59/92/659405992.db2.gz QMICLHUGMDHBCM-VFZGTOFNSA-N -1 1 382.214 1.884 20 0 GDADMM O=C(c1ncc(I)s1)N1CCC(c2nn[n-]n2)CC1 ZINC000905151870 659427117 /nfs/dbraw/zinc/42/71/17/659427117.db2.gz OVCJQXGECLRKJB-UHFFFAOYSA-N -1 1 390.210 1.281 20 0 GDADMM CS[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])ccc2C)C[C@H]1N1CCCC1 ZINC000906934313 659621992 /nfs/dbraw/zinc/62/19/92/659621992.db2.gz KSNUKOYXAFVRMZ-CABCVRRESA-N -1 1 384.523 1.894 20 0 GDADMM Cc1nc(S(=O)(=O)[N-]Cc2cnn(CCF)c2)c(Br)n1C ZINC000907652352 659800682 /nfs/dbraw/zinc/80/06/82/659800682.db2.gz LIKWDJLXDDOWPU-UHFFFAOYSA-N -1 1 380.243 1.136 20 0 GDADMM COc1cccc(Br)c1CS(=O)(=O)[N-][C@@H]1COCC[C@H]1OC ZINC000907842387 659838215 /nfs/dbraw/zinc/83/82/15/659838215.db2.gz SZQZGFSJWCQAMQ-TZMCWYRMSA-N -1 1 394.287 1.681 20 0 GDADMM CCO[C@]12CCC[C@@]1([N-]S(=O)(=O)C[C@@]1(OC(C)C)CCOC1)CCO2 ZINC000908018749 659855969 /nfs/dbraw/zinc/85/59/69/659855969.db2.gz OQNQJTSOZPUKBP-ZACQAIPSSA-N -1 1 377.503 1.566 20 0 GDADMM CCO[C@]12CCC[C@@]1([N-]S(=O)(=O)[C@H]1CCCC[C@H]1C(=O)OC)CCO2 ZINC000908024213 659857402 /nfs/dbraw/zinc/85/74/02/659857402.db2.gz LIDKDTSMSNSASD-WTTBNOFXSA-N -1 1 375.487 1.713 20 0 GDADMM C[C@](CO)([N-]S(=O)(=O)c1c[nH]c(=O)s1)c1cccc(Br)c1 ZINC000908265898 659890103 /nfs/dbraw/zinc/89/01/03/659890103.db2.gz DBIPGAYOMIRWOA-GFCCVEGCSA-N -1 1 393.284 1.797 20 0 GDADMM COCC[C@H]([N-]C(=O)C(F)(F)c1ncccc1Br)C(=O)OC ZINC000908308580 659896273 /nfs/dbraw/zinc/89/62/73/659896273.db2.gz YPXFUPGLFSAWTQ-VIFPVBQESA-N -1 1 381.173 1.630 20 0 GDADMM C[C@]12CSC[C@H]1CN(S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C2 ZINC000908444080 659909025 /nfs/dbraw/zinc/90/90/25/659909025.db2.gz NLOQXVLUHRINSI-YGRLFVJLSA-N -1 1 394.515 1.571 20 0 GDADMM COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C(C)(C)C(=O)OC(C)C)c1F ZINC000908490065 659921331 /nfs/dbraw/zinc/92/13/31/659921331.db2.gz VGFPYSNLVVJBMO-UHFFFAOYSA-N -1 1 379.381 1.760 20 0 GDADMM COC(=O)C1CCN(S(=O)(=O)[N-]CC(F)(F)C2(O)CCCCC2)CC1 ZINC000908497608 659922133 /nfs/dbraw/zinc/92/21/33/659922133.db2.gz LZGMZQAFNLKCPG-UHFFFAOYSA-N -1 1 384.445 1.036 20 0 GDADMM C[C@H](NC(=O)c1cc(Br)cc(C(=O)[O-])c1)[C@H]1CN(C)CCN1C ZINC000911425852 660007244 /nfs/dbraw/zinc/00/72/44/660007244.db2.gz BZJBCBYFVDSMGQ-IINYFYTJSA-N -1 1 384.274 1.511 20 0 GDADMM O=C([O-])[C@H]1CCCN(CC(=O)NCCNc2cccc(Br)c2)C1 ZINC000911561899 660010714 /nfs/dbraw/zinc/01/07/14/660010714.db2.gz KZLBRZVQXDBWRD-LBPRGKRZSA-N -1 1 384.274 1.774 20 0 GDADMM O=C([O-])[C@@]1(C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)CNCCO1 ZINC000912270925 660031293 /nfs/dbraw/zinc/03/12/93/660031293.db2.gz XKFCSIMFXOYVIH-LBPRGKRZSA-N -1 1 397.147 1.850 20 0 GDADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](C)Cc1nc2ccccc2s1 ZINC000912543287 660041913 /nfs/dbraw/zinc/04/19/13/660041913.db2.gz VHESSIDUHHQYBF-SECBINFHSA-N -1 1 380.451 1.716 20 0 GDADMM Cn1[nH]c(=O)c2c1CN(C(=O)c1cc(I)ccc1[O-])CC2 ZINC000913031840 660064794 /nfs/dbraw/zinc/06/47/94/660064794.db2.gz WJGIWXKWFKYXST-UHFFFAOYSA-N -1 1 399.188 1.634 20 0 GDADMM Cc1nc(CC(F)(F)F)sc1CC(=O)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913493537 660082440 /nfs/dbraw/zinc/08/24/40/660082440.db2.gz ASZMZCKSUDJASJ-MRVPVSSYSA-N -1 1 376.364 1.212 20 0 GDADMM O=C(CCOc1ccccc1Br)N1CCOC[C@@H]1c1nn[n-]n1 ZINC000913494607 660082823 /nfs/dbraw/zinc/08/28/23/660082823.db2.gz GUEUKPKHQQWNDO-LLVKDONJSA-N -1 1 382.218 1.331 20 0 GDADMM C[C@H](Oc1cccc(Br)c1)C(=O)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913494800 660083145 /nfs/dbraw/zinc/08/31/45/660083145.db2.gz CVVVCMSSHZEMDN-CABZTGNLSA-N -1 1 382.218 1.330 20 0 GDADMM COc1cc(C)c(Br)cc1C(=O)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913496712 660083391 /nfs/dbraw/zinc/08/33/91/660083391.db2.gz ARJDCDPSFBFSSF-NSHDSACASA-N -1 1 382.218 1.493 20 0 GDADMM COc1cc(Br)ccc1CCC(=O)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913497012 660083593 /nfs/dbraw/zinc/08/35/93/660083593.db2.gz GUUXUTBYXBSXTG-LBPRGKRZSA-N -1 1 396.245 1.504 20 0 GDADMM CO[C@@H](C(=O)N1CCOC[C@H]1c1nn[n-]n1)c1ccccc1Br ZINC000913500261 660084170 /nfs/dbraw/zinc/08/41/70/660084170.db2.gz VCDPJYNCGPESGH-NWDGAFQWSA-N -1 1 382.218 1.250 20 0 GDADMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H](C)Cn2cncn2)c1F ZINC000914066748 660113675 /nfs/dbraw/zinc/11/36/75/660113675.db2.gz DEWAJYGAPONULL-MRVPVSSYSA-N -1 1 393.238 1.555 20 0 GDADMM COCC(COC)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000388439512 677677597 /nfs/dbraw/zinc/67/75/97/677677597.db2.gz STURUXJOXJCMCE-UHFFFAOYSA-N -1 1 383.220 1.297 20 0 GDADMM C[C@H]1CC[C@@](NC(=O)NCc2ccnc(N3CCN(C)CC3)c2)(C(=O)[O-])CC1 ZINC000908785626 939321552 /nfs/dbraw/zinc/32/15/52/939321552.db2.gz NJICZBFRHYHPRR-SGNKCFNYSA-N -1 1 389.500 1.666 20 0 GDADMM CN1CCN(Cc2cccc(C(=O)N[C@@H](C(=O)[O-])c3cccc(O)c3)c2)CC1 ZINC000911441799 939772310 /nfs/dbraw/zinc/77/23/10/939772310.db2.gz GGDRAIAONVPZBP-LJQANCHMSA-N -1 1 383.448 1.695 20 0 GDADMM CO[C@@H]1CCC[C@H]([C@H](NC(=O)N[C@H]2CCCN3CCSC[C@@H]23)C(=O)[O-])C1 ZINC000929063023 939809207 /nfs/dbraw/zinc/80/92/07/939809207.db2.gz FNWWVQYJHSPWOP-QRJUGERDSA-N -1 1 385.530 1.524 20 0 GDADMM COc1cccc([C@H](NC(=O)N[C@H]2CCCN3CCSC[C@H]23)C(=O)[O-])c1 ZINC000929066365 939809547 /nfs/dbraw/zinc/80/95/47/939809547.db2.gz WUJPBRIXENYLFB-XHSDSOJGSA-N -1 1 379.482 1.700 20 0 GDADMM CC(C)c1ncc(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)s1 ZINC001571261676 945429404 /nfs/dbraw/zinc/42/94/04/945429404.db2.gz IFNSWUZICILSOO-JTQLQIEISA-N -1 1 385.457 1.563 20 0 GDADMM CC(C)c1ncc(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)s1 ZINC001571261676 945429407 /nfs/dbraw/zinc/42/94/07/945429407.db2.gz IFNSWUZICILSOO-JTQLQIEISA-N -1 1 385.457 1.563 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccns2)CC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571261702 945431670 /nfs/dbraw/zinc/43/16/70/945431670.db2.gz IVQDGQNIFLBOIQ-MNOVXSKESA-N -1 1 385.457 1.324 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccns2)CC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571261702 945431674 /nfs/dbraw/zinc/43/16/74/945431674.db2.gz IVQDGQNIFLBOIQ-MNOVXSKESA-N -1 1 385.457 1.324 20 0 GDADMM Cc1nsc(C)c1C(=O)N[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571261892 945433699 /nfs/dbraw/zinc/43/36/99/945433699.db2.gz LTEJSSKFIAUEPN-NSHDSACASA-N -1 1 385.457 1.047 20 0 GDADMM Cc1nsc(C)c1C(=O)N[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571261892 945433705 /nfs/dbraw/zinc/43/37/05/945433705.db2.gz LTEJSSKFIAUEPN-NSHDSACASA-N -1 1 385.457 1.047 20 0 GDADMM Cc1ncc(C(=O)N2CCC[C@@H](N(C)c3nccnc3-c3nnn[n-]3)C2)s1 ZINC001571263036 945447823 /nfs/dbraw/zinc/44/78/23/945447823.db2.gz GDIYDWLFKOMBDE-LLVKDONJSA-N -1 1 385.457 1.163 20 0 GDADMM Cc1ncc(C(=O)N2CCC[C@@H](N(C)c3nccnc3-c3nn[n-]n3)C2)s1 ZINC001571263036 945447824 /nfs/dbraw/zinc/44/78/24/945447824.db2.gz GDIYDWLFKOMBDE-LLVKDONJSA-N -1 1 385.457 1.163 20 0 GDADMM Cc1nc(C(=O)N[C@H]2CCN(c3cncc(-c4nnn[n-]4)n3)[C@@H]2C)sc1C ZINC001571263199 945451195 /nfs/dbraw/zinc/45/11/95/945451195.db2.gz JYEQJEOOCDWHMQ-KOLCDFICSA-N -1 1 385.457 1.127 20 0 GDADMM Cc1nc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)[C@@H]2C)sc1C ZINC001571263199 945451200 /nfs/dbraw/zinc/45/12/00/945451200.db2.gz JYEQJEOOCDWHMQ-KOLCDFICSA-N -1 1 385.457 1.127 20 0 GDADMM Cc1ncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2snc(C)c2-c2nn[n-]n2)[nH]1 ZINC001571263372 945458098 /nfs/dbraw/zinc/45/80/98/945458098.db2.gz OJSGQWYBZACFNT-FOGDFJRCSA-N -1 1 385.457 1.203 20 0 GDADMM Cc1nsc(N[C@@H]2CCN(C(=O)c3ccnc(C)n3)[C@@H]2C)c1-c1nn[n-]n1 ZINC001571263484 945460045 /nfs/dbraw/zinc/46/00/45/945460045.db2.gz RHLUUGIOJDWHHU-MWLCHTKSSA-N -1 1 385.457 1.445 20 0 GDADMM CC(C)[C@@H](O)C(=O)N1CC[C@H](CNc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571265692 945519379 /nfs/dbraw/zinc/51/93/79/945519379.db2.gz OXMRPWMPVZSPMP-PSASIEDQSA-N -1 1 385.881 1.254 20 0 GDADMM CC(C)[C@@H](O)C(=O)N1CC[C@H](CNc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571265692 945519384 /nfs/dbraw/zinc/51/93/84/945519384.db2.gz OXMRPWMPVZSPMP-PSASIEDQSA-N -1 1 385.881 1.254 20 0 GDADMM O=C(NCC1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccc(F)c(F)c1 ZINC001571267087 945560879 /nfs/dbraw/zinc/56/08/79/945560879.db2.gz IYFODFIBMSDUJP-UHFFFAOYSA-N -1 1 386.366 1.555 20 0 GDADMM O=C(NCC1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccc(F)c(F)c1 ZINC001571267087 945560886 /nfs/dbraw/zinc/56/08/86/945560886.db2.gz IYFODFIBMSDUJP-UHFFFAOYSA-N -1 1 386.366 1.555 20 0 GDADMM CN(C[C@@H]1COc2ccccc2O1)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001571268125 945588222 /nfs/dbraw/zinc/58/82/22/945588222.db2.gz ARMBKXIYJBEHLW-LLVKDONJSA-N -1 1 386.437 1.910 20 0 GDADMM CCN(C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)C1)CC(F)(F)F ZINC000821197324 945651119 /nfs/dbraw/zinc/65/11/19/945651119.db2.gz IXXBLNRKWBKFSZ-NSHDSACASA-N -1 1 383.378 1.608 20 0 GDADMM CCN(C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)C1)CC(F)(F)F ZINC000821197324 945651127 /nfs/dbraw/zinc/65/11/27/945651127.db2.gz IXXBLNRKWBKFSZ-NSHDSACASA-N -1 1 383.378 1.608 20 0 GDADMM O=C(CCC1CCOCC1)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571272449 945663302 /nfs/dbraw/zinc/66/33/02/945663302.db2.gz FBKATHYUBPGQDK-AWEZNQCLSA-N -1 1 386.460 1.124 20 0 GDADMM O=C(CCC1CCOCC1)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571272449 945663306 /nfs/dbraw/zinc/66/33/06/945663306.db2.gz FBKATHYUBPGQDK-AWEZNQCLSA-N -1 1 386.460 1.124 20 0 GDADMM O=C(CC1CCCC1)NC1CCC(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)CC1 ZINC001571272610 945666903 /nfs/dbraw/zinc/66/69/03/945666903.db2.gz GCNCYIWFGRNALG-UHFFFAOYSA-N -1 1 386.460 1.784 20 0 GDADMM O=C(CC1CCCC1)NC1CCC(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)CC1 ZINC001571272610 945666904 /nfs/dbraw/zinc/66/69/04/945666904.db2.gz GCNCYIWFGRNALG-UHFFFAOYSA-N -1 1 386.460 1.784 20 0 GDADMM CN(c1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCN(C(=O)CC[C@@H]2CCCCO2)C1 ZINC001571272646 945667202 /nfs/dbraw/zinc/66/72/02/945667202.db2.gz GXFAQGHPNBAWSF-KGLIPLIRSA-N -1 1 386.460 1.043 20 0 GDADMM CN(c1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCN(C(=O)CC[C@@H]2CCCCO2)C1 ZINC001571272646 945667207 /nfs/dbraw/zinc/66/72/07/945667207.db2.gz GXFAQGHPNBAWSF-KGLIPLIRSA-N -1 1 386.460 1.043 20 0 GDADMM O=C(C[C@H]1CCOC1)N1CCC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571273192 945681133 /nfs/dbraw/zinc/68/11/33/945681133.db2.gz SEFLQIIVGGDKRJ-UONOGXRCSA-N -1 1 386.460 1.124 20 0 GDADMM O=C(C[C@H]1CCOC1)N1CCC[C@@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571273192 945681137 /nfs/dbraw/zinc/68/11/37/945681137.db2.gz SEFLQIIVGGDKRJ-UONOGXRCSA-N -1 1 386.460 1.124 20 0 GDADMM O=C(CC[C@H]1CCCCO1)N1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571273373 945685264 /nfs/dbraw/zinc/68/52/64/945685264.db2.gz WLMBVMIGWRLMBZ-ZIAGYGMSSA-N -1 1 386.460 1.266 20 0 GDADMM O=C(CC[C@H]1CCCCO1)N1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571273373 945685267 /nfs/dbraw/zinc/68/52/67/945685267.db2.gz WLMBVMIGWRLMBZ-ZIAGYGMSSA-N -1 1 386.460 1.266 20 0 GDADMM O=C(CC1CCOCC1)N1CC[C@@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571273341 945686453 /nfs/dbraw/zinc/68/64/53/945686453.db2.gz VVWLHSUSVLEHRH-CQSZACIVSA-N -1 1 386.460 1.124 20 0 GDADMM O=C(CC1CCOCC1)N1CC[C@@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571273341 945686462 /nfs/dbraw/zinc/68/64/62/945686462.db2.gz VVWLHSUSVLEHRH-CQSZACIVSA-N -1 1 386.460 1.124 20 0 GDADMM CCc1nc(NC[C@@H]2CCCN2C(=O)[C@@H]2CCCOC2)cc(-c2nnn[n-]2)n1 ZINC001571273469 945689116 /nfs/dbraw/zinc/68/91/16/945689116.db2.gz XYKLQTJWAYRCAI-OLZOCXBDSA-N -1 1 386.460 1.049 20 0 GDADMM CCc1nc(NC[C@@H]2CCCN2C(=O)[C@@H]2CCCOC2)cc(-c2nn[n-]n2)n1 ZINC001571273469 945689120 /nfs/dbraw/zinc/68/91/20/945689120.db2.gz XYKLQTJWAYRCAI-OLZOCXBDSA-N -1 1 386.460 1.049 20 0 GDADMM CCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCN(C(=O)[C@H]2CO[C@H](C)C2)CC1 ZINC001571276097 945725637 /nfs/dbraw/zinc/72/56/37/945725637.db2.gz HDLVMDLLHJGDFC-CHWSQXEVSA-N -1 1 386.460 1.265 20 0 GDADMM CCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCN(C(=O)[C@H]2CO[C@H](C)C2)CC1 ZINC001571276097 945725642 /nfs/dbraw/zinc/72/56/42/945725642.db2.gz HDLVMDLLHJGDFC-CHWSQXEVSA-N -1 1 386.460 1.265 20 0 GDADMM COc1cc(C)c([C@@H](C)Nc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)cc1OC ZINC001571276313 945730003 /nfs/dbraw/zinc/73/00/03/945730003.db2.gz HHVOTFDGHPWTFH-SECBINFHSA-N -1 1 387.400 1.165 20 0 GDADMM CC(C)(C)OC(=O)c1ccc(C(=O)NCc2nc(-c3nnn[n-]3)cs2)nc1 ZINC001571277050 945739537 /nfs/dbraw/zinc/73/95/37/945739537.db2.gz NRJBVDZLTRXUTR-UHFFFAOYSA-N -1 1 387.425 1.604 20 0 GDADMM CC(C)(C)OC(=O)c1ccc(C(=O)NCc2nc(-c3nn[n-]n3)cs2)nc1 ZINC001571277050 945739544 /nfs/dbraw/zinc/73/95/44/945739544.db2.gz NRJBVDZLTRXUTR-UHFFFAOYSA-N -1 1 387.425 1.604 20 0 GDADMM CC(C)C(=O)N1CCC2(CO[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001571277538 945743062 /nfs/dbraw/zinc/74/30/62/945743062.db2.gz LJAVFXAPVDDUQV-ZDUSSCGKSA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)C(=O)N1CCC2(CO[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001571277538 945743069 /nfs/dbraw/zinc/74/30/69/945743069.db2.gz LJAVFXAPVDDUQV-ZDUSSCGKSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H]1OCC[C@@H]1C(=O)N1CCC(CCNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571278508 945754377 /nfs/dbraw/zinc/75/43/77/945754377.db2.gz OMCLIJRUPHKURN-OCCSQVGLSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@H]1OCC[C@@H]1C(=O)N1CCC(CCNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571278508 945754382 /nfs/dbraw/zinc/75/43/82/945754382.db2.gz OMCLIJRUPHKURN-OCCSQVGLSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CCN(C(=O)[C@@H]2CCCOC2)CC1 ZINC001571278677 945757690 /nfs/dbraw/zinc/75/76/90/945757690.db2.gz QNLGMWJIOCRDIC-TZMCWYRMSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CCN(C(=O)[C@@H]2CCCOC2)CC1 ZINC001571278677 945757697 /nfs/dbraw/zinc/75/76/97/945757697.db2.gz QNLGMWJIOCRDIC-TZMCWYRMSA-N -1 1 386.460 1.122 20 0 GDADMM CCn1ccc(C(=O)N2C[C@@H](Nc3snc(C)c3-c3nn[n-]n3)C[C@@H]2C)n1 ZINC001571281031 945794925 /nfs/dbraw/zinc/79/49/25/945794925.db2.gz BIJDGLPGJBEGEQ-ONGXEEELSA-N -1 1 387.473 1.563 20 0 GDADMM Cc1nsc(N[C@H]2CC[C@H](NC(=O)c3cn(C)cn3)CC2)c1-c1nn[n-]n1 ZINC001571281297 945802005 /nfs/dbraw/zinc/80/20/05/945802005.db2.gz GIANPKCNDJBPFL-XYPYZODXSA-N -1 1 387.473 1.518 20 0 GDADMM Cc1c[nH]cc1C(=O)NC[C@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)CCO1 ZINC001571281783 945813260 /nfs/dbraw/zinc/81/32/60/945813260.db2.gz NSXTUYKTLVHMIN-LBPRGKRZSA-N -1 1 387.469 1.196 20 0 GDADMM CC(=O)N1CCc2ccccc2[C@H]1CC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC001573450295 945819437 /nfs/dbraw/zinc/81/94/37/945819437.db2.gz BZVRJJJQRBJEDT-OAHLLOKOSA-N -1 1 380.412 1.075 20 0 GDADMM CC(=O)N1CCc2ccccc2[C@H]1CC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC001573450295 945819452 /nfs/dbraw/zinc/81/94/52/945819452.db2.gz BZVRJJJQRBJEDT-OAHLLOKOSA-N -1 1 380.412 1.075 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(Cl)[nH]2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571283565 945887096 /nfs/dbraw/zinc/88/70/96/945887096.db2.gz GHJAVCJWWSJULE-VHSXEESVSA-N -1 1 387.835 1.458 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(Cl)[nH]2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571283565 945887103 /nfs/dbraw/zinc/88/71/03/945887103.db2.gz GHJAVCJWWSJULE-VHSXEESVSA-N -1 1 387.835 1.458 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(Cl)[nH]2)CC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571283938 945894501 /nfs/dbraw/zinc/89/45/01/945894501.db2.gz LJMRDXGJHWXRMN-NXEZZACHSA-N -1 1 387.835 1.601 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(Cl)[nH]2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571283938 945894513 /nfs/dbraw/zinc/89/45/13/945894513.db2.gz LJMRDXGJHWXRMN-NXEZZACHSA-N -1 1 387.835 1.601 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@@H](CNC(=O)c3cc(Cl)c[nH]3)C2)n1 ZINC001571283935 945895196 /nfs/dbraw/zinc/89/51/96/945895196.db2.gz LHQNGYMKCZNDFB-JGZJWPJOSA-N -1 1 387.835 1.567 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@@H](CNC(=O)c3cc(Cl)c[nH]3)C2)n1 ZINC001571283935 945895211 /nfs/dbraw/zinc/89/52/11/945895211.db2.gz LHQNGYMKCZNDFB-JGZJWPJOSA-N -1 1 387.835 1.567 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@@H]2[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)cc1 ZINC001571288478 945988979 /nfs/dbraw/zinc/98/89/79/945988979.db2.gz PLCQAAWTJQXGQZ-PHZGNYQRSA-N -1 1 388.435 1.412 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@@H]2[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)cc1 ZINC001571288478 945988991 /nfs/dbraw/zinc/98/89/91/945988991.db2.gz PLCQAAWTJQXGQZ-PHZGNYQRSA-N -1 1 388.435 1.412 20 0 GDADMM O=C(c1ccc(F)s1)N1CC[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571289191 945997204 /nfs/dbraw/zinc/99/72/04/945997204.db2.gz WWWYBKDTTPLCIR-JTQLQIEISA-N -1 1 388.432 1.822 20 0 GDADMM O=C(c1ccc(F)s1)N1CC[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571289191 945997214 /nfs/dbraw/zinc/99/72/14/945997214.db2.gz WWWYBKDTTPLCIR-JTQLQIEISA-N -1 1 388.432 1.822 20 0 GDADMM Cc1ccc(-c2nc(CNS(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)co2)cc1 ZINC000822214257 945998665 /nfs/dbraw/zinc/99/86/65/945998665.db2.gz WRZYDELCUADOOQ-UHFFFAOYSA-N -1 1 397.420 1.704 20 0 GDADMM Cc1ccc(-c2nc(CNS(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)co2)cc1 ZINC000822214257 945998673 /nfs/dbraw/zinc/99/86/73/945998673.db2.gz WRZYDELCUADOOQ-UHFFFAOYSA-N -1 1 397.420 1.704 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N(C)C[C@H]2CCCN2C(=O)C2(F)CCCC2)n1 ZINC001571289398 946002918 /nfs/dbraw/zinc/00/29/18/946002918.db2.gz BSIUSZRYNBDPOO-CYBMUJFWSA-N -1 1 388.451 1.675 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@H]2CCCN2C(=O)C2(F)CCCC2)n1 ZINC001571289398 946002938 /nfs/dbraw/zinc/00/29/38/946002938.db2.gz BSIUSZRYNBDPOO-CYBMUJFWSA-N -1 1 388.451 1.675 20 0 GDADMM Cc1noc(C)c1C(=O)N[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)[C@@H]1C ZINC001571289409 946005147 /nfs/dbraw/zinc/00/51/47/946005147.db2.gz BZKLIOZADIYZKX-KOLCDFICSA-N -1 1 388.457 1.634 20 0 GDADMM Cc1conc1C(=O)N[C@@H]1CC[C@@H](C)N(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571289485 946007358 /nfs/dbraw/zinc/00/73/58/946007358.db2.gz FRBDDZFELXEBIR-MWLCHTKSSA-N -1 1 388.457 1.715 20 0 GDADMM O=C(N1CCC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)C1(F)CCCCC1 ZINC001571289507 946010095 /nfs/dbraw/zinc/01/00/95/946010095.db2.gz GFUKLXPAZYIQTO-ZDUSSCGKSA-N -1 1 388.451 1.980 20 0 GDADMM O=C(N1CCC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)C1(F)CCCCC1 ZINC001571289507 946010108 /nfs/dbraw/zinc/01/01/08/946010108.db2.gz GFUKLXPAZYIQTO-ZDUSSCGKSA-N -1 1 388.451 1.980 20 0 GDADMM CO[C@@H](C(=O)N1C[C@@H](C)[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1)C(C)C ZINC001571289649 946011390 /nfs/dbraw/zinc/01/13/90/946011390.db2.gz JIWAGWONVCOMMX-XJKCOSOUSA-N -1 1 388.476 1.224 20 0 GDADMM CO[C@@H](C(=O)N1C[C@@H](C)[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1)C(C)C ZINC001571289649 946011398 /nfs/dbraw/zinc/01/13/98/946011398.db2.gz JIWAGWONVCOMMX-XJKCOSOUSA-N -1 1 388.476 1.224 20 0 GDADMM CCc1cc(C(=O)NC[C@H]2C[C@H](Nc3snc(C)c3-c3nn[n-]n3)C2)no1 ZINC001571289617 946013150 /nfs/dbraw/zinc/01/31/50/946013150.db2.gz IUVJVNJKMCHUBM-MGCOHNPYSA-N -1 1 388.457 1.803 20 0 GDADMM Cc1ncoc1C(=O)N1CC[C@@](C)(CNc2snc(C)c2-c2nn[n-]n2)C1 ZINC001571289718 946014334 /nfs/dbraw/zinc/01/43/34/946014334.db2.gz LAOQRPGKYAZWII-INIZCTEOSA-N -1 1 388.457 1.892 20 0 GDADMM Cc1nc(C(=O)N[C@H]2CC[C@H](CNc3snc(C)c3-c3nn[n-]n3)C2)co1 ZINC001571289748 946018348 /nfs/dbraw/zinc/01/83/48/946018348.db2.gz LSQIWZWAHVRRIC-QWRGUYRKSA-N -1 1 388.457 1.939 20 0 GDADMM CO[C@@H](C(=O)N1CCC[C@@H](CN(C)c2ccc(-c3nnn[n-]3)nn2)C1)C(C)C ZINC001571289990 946025577 /nfs/dbraw/zinc/02/55/77/946025577.db2.gz RXAPXIAWMQAIHW-XJKSGUPXSA-N -1 1 388.476 1.003 20 0 GDADMM CO[C@@H](C(=O)N1CCC[C@@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1)C(C)C ZINC001571289990 946025586 /nfs/dbraw/zinc/02/55/86/946025586.db2.gz RXAPXIAWMQAIHW-XJKSGUPXSA-N -1 1 388.476 1.003 20 0 GDADMM O=C(NCCc1ccncc1)Nc1ccc(Br)c(-c2nnn[n-]2)n1 ZINC001571290499 946045880 /nfs/dbraw/zinc/04/58/80/946045880.db2.gz HFQUMHLCBJZSCX-UHFFFAOYSA-N -1 1 389.217 1.783 20 0 GDADMM O=C(NCCc1ccncc1)Nc1ccc(Br)c(-c2nn[n-]n2)n1 ZINC001571290499 946045893 /nfs/dbraw/zinc/04/58/93/946045893.db2.gz HFQUMHLCBJZSCX-UHFFFAOYSA-N -1 1 389.217 1.783 20 0 GDADMM O=C(N[C@H]1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccc(Cl)o1 ZINC001571290543 946048328 /nfs/dbraw/zinc/04/83/28/946048328.db2.gz IKVSDDFTOMPLBC-UWVGGRQHSA-N -1 1 388.819 1.478 20 0 GDADMM O=C(NC[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccc(Cl)o1 ZINC001571290704 946052690 /nfs/dbraw/zinc/05/26/90/946052690.db2.gz MKABBTXUAMNZNO-SNVBAGLBSA-N -1 1 388.819 1.550 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccoc2Cl)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571290927 946058486 /nfs/dbraw/zinc/05/84/86/946058486.db2.gz UVTBBJMERAHIGR-ZJUUUORDSA-N -1 1 388.819 1.723 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccoc2Cl)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571290927 946058499 /nfs/dbraw/zinc/05/84/99/946058499.db2.gz UVTBBJMERAHIGR-ZJUUUORDSA-N -1 1 388.819 1.723 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1c(F)cccc1Cl ZINC001571290907 946059190 /nfs/dbraw/zinc/05/91/90/946059190.db2.gz UHXQWOVCYLXUNC-KYZUINATSA-N -1 1 388.794 1.822 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1c(F)cccc1Cl ZINC001571290907 946059204 /nfs/dbraw/zinc/05/92/04/946059204.db2.gz UHXQWOVCYLXUNC-KYZUINATSA-N -1 1 388.794 1.822 20 0 GDADMM O=C(N[C@@H]1CCCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1)[C@@H]1CC1(F)F ZINC001571295085 946152472 /nfs/dbraw/zinc/15/24/72/946152472.db2.gz SJPIHXMERKXQPG-RQJHMYQMSA-N -1 1 389.819 1.717 20 0 GDADMM O=C(N[C@@H]1CCCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1)[C@@H]1CC1(F)F ZINC001571295085 946152479 /nfs/dbraw/zinc/15/24/79/946152479.db2.gz SJPIHXMERKXQPG-RQJHMYQMSA-N -1 1 389.819 1.717 20 0 GDADMM Cc1nsc(N(C)[C@H]2CCN(C(=O)Cc3cccs3)C2)c1-c1nn[n-]n1 ZINC001571295570 946166963 /nfs/dbraw/zinc/16/69/63/946166963.db2.gz XYCKNNULJKYNJF-NSHDSACASA-N -1 1 389.510 1.973 20 0 GDADMM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cn1)c1nc(C2CC2)no1 ZINC001571296325 946192757 /nfs/dbraw/zinc/19/27/57/946192757.db2.gz VAXGAGJACKWXGU-GFCCVEGCSA-N -1 1 390.429 1.198 20 0 GDADMM COC(=O)[C@@H]1CC[C@H](C(=O)N2CCN(c3ccsc3-c3nn[n-]n3)CC2)C1 ZINC001571298250 946212497 /nfs/dbraw/zinc/21/24/97/946212497.db2.gz LFPXOQDPJNIVSL-NWDGAFQWSA-N -1 1 390.469 1.166 20 0 GDADMM Cc1cccc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)nn2)c1 ZINC001571298332 946214533 /nfs/dbraw/zinc/21/45/33/946214533.db2.gz DGYOZSFRYQIJET-IYBDPMFKSA-N -1 1 390.451 1.849 20 0 GDADMM Cc1cccc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)nn2)c1 ZINC001571298332 946214542 /nfs/dbraw/zinc/21/45/42/946214542.db2.gz DGYOZSFRYQIJET-IYBDPMFKSA-N -1 1 390.451 1.849 20 0 GDADMM Cc1nsc(N[C@H]2CCN(C(=O)CCc3cscn3)C2)c1-c1nn[n-]n1 ZINC001571298528 946217721 /nfs/dbraw/zinc/21/77/21/946217721.db2.gz AISAZYFAYFOBAE-JTQLQIEISA-N -1 1 390.498 1.734 20 0 GDADMM C[C@@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)c1sccc1Cl ZINC001571298515 946218019 /nfs/dbraw/zinc/21/80/19/946218019.db2.gz ABNYAOUFRHOFFK-BDAKNGLRSA-N -1 1 390.860 1.509 20 0 GDADMM CC[C@H](SC)C(=O)N1CCCC[C@@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001571298575 946222095 /nfs/dbraw/zinc/22/20/95/946222095.db2.gz BDAOKYKNELPFNQ-OLZOCXBDSA-N -1 1 390.517 1.403 20 0 GDADMM Cc1ccccc1[C@@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1 ZINC001571298556 946222343 /nfs/dbraw/zinc/22/23/43/946222343.db2.gz GZMCUCPZTMTANO-ILXRZTDVSA-N -1 1 390.451 1.558 20 0 GDADMM Cc1ccccc1[C@@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1 ZINC001571298556 946222352 /nfs/dbraw/zinc/22/23/52/946222352.db2.gz GZMCUCPZTMTANO-ILXRZTDVSA-N -1 1 390.451 1.558 20 0 GDADMM O=C(NC[C@@H]1[C@H]2CN(c3nc(-c4nn[n-]n4)c(Cl)s3)C[C@H]21)c1cc[nH]c1 ZINC001571298838 946230223 /nfs/dbraw/zinc/23/02/23/946230223.db2.gz FCMIIZNGFPFSOO-OWUUHHOZSA-N -1 1 390.860 1.417 20 0 GDADMM O=C([C@H]1CCc2ccccc2C1)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571299139 946241605 /nfs/dbraw/zinc/24/16/05/946241605.db2.gz OHUOEWVUJBGCDN-INIZCTEOSA-N -1 1 390.451 1.110 20 0 GDADMM O=C([C@H]1CCc2ccccc2C1)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571299139 946241619 /nfs/dbraw/zinc/24/16/19/946241619.db2.gz OHUOEWVUJBGCDN-INIZCTEOSA-N -1 1 390.451 1.110 20 0 GDADMM Cc1ccc(C(=O)N2C[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]3C2)cc1C ZINC001571299853 946263764 /nfs/dbraw/zinc/26/37/64/946263764.db2.gz WORNQZDXDUQXCO-IYBDPMFKSA-N -1 1 390.451 1.482 20 0 GDADMM Cc1ccc(C(=O)N2C[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]3C2)cc1C ZINC001571299853 946263770 /nfs/dbraw/zinc/26/37/70/946263770.db2.gz WORNQZDXDUQXCO-IYBDPMFKSA-N -1 1 390.451 1.482 20 0 GDADMM C[C@]1(NC(=O)c2ccc3c(c2)CCC3)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571299973 946266891 /nfs/dbraw/zinc/26/68/91/946266891.db2.gz WYKKWGBWOWJGPR-FQEVSTJZSA-N -1 1 390.451 1.544 20 0 GDADMM C[C@]1(NC(=O)c2ccc3c(c2)CCC3)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571299973 946266900 /nfs/dbraw/zinc/26/69/00/946266900.db2.gz WYKKWGBWOWJGPR-FQEVSTJZSA-N -1 1 390.451 1.544 20 0 GDADMM O=C([C@@H]1Cc2ccccc21)N1CCC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571299991 946270422 /nfs/dbraw/zinc/27/04/22/946270422.db2.gz XOZOVFZKTFJWGI-CZUORRHYSA-N -1 1 390.451 1.647 20 0 GDADMM O=C([C@@H]1Cc2ccccc21)N1CCC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571299991 946270435 /nfs/dbraw/zinc/27/04/35/946270435.db2.gz XOZOVFZKTFJWGI-CZUORRHYSA-N -1 1 390.451 1.647 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)c(C2CC2)n1 ZINC001571302600 946308170 /nfs/dbraw/zinc/30/81/70/946308170.db2.gz CMBXQDJMLFYTJE-ZDUSSCGKSA-N -1 1 391.439 1.564 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)c(C2CC2)n1 ZINC001571302600 946308183 /nfs/dbraw/zinc/30/81/83/946308183.db2.gz CMBXQDJMLFYTJE-ZDUSSCGKSA-N -1 1 391.439 1.564 20 0 GDADMM Cc1cnccc1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001571302673 946310360 /nfs/dbraw/zinc/31/03/60/946310360.db2.gz FJBVZQKAULXCRK-OKILXGFUSA-N -1 1 391.439 1.244 20 0 GDADMM Cc1cnccc1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001571302673 946310374 /nfs/dbraw/zinc/31/03/74/946310374.db2.gz FJBVZQKAULXCRK-OKILXGFUSA-N -1 1 391.439 1.244 20 0 GDADMM Cc1nc(C2CC2)ccc1C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571302892 946319385 /nfs/dbraw/zinc/31/93/85/946319385.db2.gz INSQQVBDBTVUJS-BETUJISGSA-N -1 1 391.439 1.610 20 0 GDADMM Cc1nc(C2CC2)ccc1C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571302892 946319397 /nfs/dbraw/zinc/31/93/97/946319397.db2.gz INSQQVBDBTVUJS-BETUJISGSA-N -1 1 391.439 1.610 20 0 GDADMM CC(=O)N[C@H]1CN(c2snc(C)c2-c2nn[n-]n2)CC2(CCOCC2)C1 ZINC001573496720 946327507 /nfs/dbraw/zinc/32/75/07/946327507.db2.gz AXYCYAWVXYPNKA-GFCCVEGCSA-N -1 1 377.474 1.143 20 0 GDADMM Cc1nsc(N2CCC(CNC(=O)C3CCOCC3)CC2)c1-c1nn[n-]n1 ZINC001571305405 946359235 /nfs/dbraw/zinc/35/92/35/946359235.db2.gz AGAHUURWFJKLGD-UHFFFAOYSA-N -1 1 391.501 1.391 20 0 GDADMM Cc1nsc(N2CCOC[C@@H]2CNC(=O)[C@H]2CCC2(C)C)c1-c1nn[n-]n1 ZINC001571305490 946362547 /nfs/dbraw/zinc/36/25/47/946362547.db2.gz CKRCRJNOKHQXKU-NWDGAFQWSA-N -1 1 391.501 1.389 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CCN(C(=O)c3nc(Cl)cs3)CC2)n1 ZINC001571305440 946364189 /nfs/dbraw/zinc/36/41/89/946364189.db2.gz BFICIDAVMNXGNM-UHFFFAOYSA-N -1 1 391.848 1.037 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CCN(C(=O)c3nc(Cl)cs3)CC2)n1 ZINC001571305440 946364202 /nfs/dbraw/zinc/36/42/02/946364202.db2.gz BFICIDAVMNXGNM-UHFFFAOYSA-N -1 1 391.848 1.037 20 0 GDADMM O=C(NC1CC(CNc2nc(Cl)c(-c3nnn[n-]3)s2)C1)c1ncccn1 ZINC001571305666 946369817 /nfs/dbraw/zinc/36/98/17/946369817.db2.gz ITVNPVJFNFXVNL-UHFFFAOYSA-N -1 1 391.848 1.387 20 0 GDADMM O=C(NC1CC(CNc2nc(Cl)c(-c3nn[n-]n3)s2)C1)c1ncccn1 ZINC001571305666 946369826 /nfs/dbraw/zinc/36/98/26/946369826.db2.gz ITVNPVJFNFXVNL-UHFFFAOYSA-N -1 1 391.848 1.387 20 0 GDADMM CO[C@H](C(=O)N1CCC[C@@H](Nc2snc(C)c2-c2nn[n-]n2)C1)C1CCC1 ZINC001571305606 946370497 /nfs/dbraw/zinc/37/04/97/946370497.db2.gz HFOYEFAZFUUOFX-OCCSQVGLSA-N -1 1 391.501 1.850 20 0 GDADMM Cc1nsc(N[C@H]2CN(C(=O)c3cnsn3)CC2(C)C)c1-c1nn[n-]n1 ZINC001571305685 946373572 /nfs/dbraw/zinc/37/35/72/946373572.db2.gz JHYIRBDMYVIPPA-VIFPVBQESA-N -1 1 391.486 1.446 20 0 GDADMM Cc1nsc(NC[C@H]2CCN(C(=O)COC3CCCC3)C2)c1-c1nn[n-]n1 ZINC001571305854 946378882 /nfs/dbraw/zinc/37/88/82/946378882.db2.gz MAGQHZJQRTWGBH-GFCCVEGCSA-N -1 1 391.501 1.851 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CC[C@H](c2ncccn2)C1 ZINC001571306031 946385458 /nfs/dbraw/zinc/38/54/58/946385458.db2.gz ODYOBCJUVDFGPX-JTQLQIEISA-N -1 1 391.844 1.488 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CC[C@H](c2ncccn2)C1 ZINC001571306031 946385472 /nfs/dbraw/zinc/38/54/72/946385472.db2.gz ODYOBCJUVDFGPX-JTQLQIEISA-N -1 1 391.844 1.488 20 0 GDADMM Cc1nsc(NC[C@H]2C[C@H](NC(=O)[C@@]3(C)CCCOC3)C2)c1-c1nn[n-]n1 ZINC001571306065 946385967 /nfs/dbraw/zinc/38/59/67/946385967.db2.gz OWTNDKRSTONXOZ-PRXAMGSTSA-N -1 1 391.501 1.755 20 0 GDADMM COc1ccsc1C(=O)N[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571306564 946405064 /nfs/dbraw/zinc/40/50/64/946405064.db2.gz XKTSYQAMNAGNCE-VIFPVBQESA-N -1 1 391.482 1.710 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1nc(Cl)cs1 ZINC001571306628 946405080 /nfs/dbraw/zinc/40/50/80/946405080.db2.gz YUWQPSLFTSCILC-QMMMGPOBSA-N -1 1 391.848 1.165 20 0 GDADMM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1nc(Cl)cs1 ZINC001571306628 946405088 /nfs/dbraw/zinc/40/50/88/946405088.db2.gz YUWQPSLFTSCILC-QMMMGPOBSA-N -1 1 391.848 1.165 20 0 GDADMM Cc1nc(Cl)sc1C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571306661 946407391 /nfs/dbraw/zinc/40/73/91/946407391.db2.gz ZILDPGZUNPUYFA-QMMMGPOBSA-N -1 1 391.848 1.402 20 0 GDADMM Cc1nc(Cl)sc1C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571306661 946407396 /nfs/dbraw/zinc/40/73/96/946407396.db2.gz ZILDPGZUNPUYFA-QMMMGPOBSA-N -1 1 391.848 1.402 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)[C@@H]2CCC(F)(F)C2)C1)c1nccnc1-c1nnn[n-]1 ZINC001571307601 946424761 /nfs/dbraw/zinc/42/47/61/946424761.db2.gz GELZGODOKHZUQO-NWDGAFQWSA-N -1 1 392.414 1.377 20 0 GDADMM CN(C[C@@H]1CCN(C(=O)[C@@H]2CCC(F)(F)C2)C1)c1nccnc1-c1nn[n-]n1 ZINC001571307601 946424773 /nfs/dbraw/zinc/42/47/73/946424773.db2.gz GELZGODOKHZUQO-NWDGAFQWSA-N -1 1 392.414 1.377 20 0 GDADMM CS(=O)(=O)C1CCN(C(=O)Nc2nc(Cl)c(-c3nn[n-]n3)s2)CC1 ZINC001571308337 946431779 /nfs/dbraw/zinc/43/17/79/946431779.db2.gz OXQFUUSZBJYIKC-UHFFFAOYSA-N -1 1 391.866 1.018 20 0 GDADMM C[C@@H]1C[C@@H](NC(=O)CC2CC(F)(F)C2)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571308520 946433567 /nfs/dbraw/zinc/43/35/67/946433567.db2.gz PYVLMURLPYTGMN-PWSUYJOCSA-N -1 1 392.414 1.566 20 0 GDADMM C[C@@H]1C[C@@H](NC(=O)CC2CC(F)(F)C2)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571308520 946433571 /nfs/dbraw/zinc/43/35/71/946433571.db2.gz PYVLMURLPYTGMN-PWSUYJOCSA-N -1 1 392.414 1.566 20 0 GDADMM O=C(c1cscc1C(F)F)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571308601 946434914 /nfs/dbraw/zinc/43/49/14/946434914.db2.gz SDYNECBCRTVASD-MRVPVSSYSA-N -1 1 392.395 1.982 20 0 GDADMM O=C(c1cscc1C(F)F)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571308601 946434919 /nfs/dbraw/zinc/43/49/19/946434919.db2.gz SDYNECBCRTVASD-MRVPVSSYSA-N -1 1 392.395 1.982 20 0 GDADMM C[C@@]1(NC(=O)[C@H]2CCCC(F)(F)C2)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571309191 946441508 /nfs/dbraw/zinc/44/15/08/946441508.db2.gz XJOGAADQORXXST-MEDUHNTESA-N -1 1 392.414 1.567 20 0 GDADMM C[C@@]1(NC(=O)[C@H]2CCCC(F)(F)C2)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571309191 946441515 /nfs/dbraw/zinc/44/15/15/946441515.db2.gz XJOGAADQORXXST-MEDUHNTESA-N -1 1 392.414 1.567 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC(F)(F)C2)CCN1c1nccnc1-c1nnn[n-]1 ZINC001571309382 946443272 /nfs/dbraw/zinc/44/32/72/946443272.db2.gz YRDKWEKVRPQAHW-GRYCIOLGSA-N -1 1 392.414 1.566 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC(F)(F)C2)CCN1c1nccnc1-c1nn[n-]n1 ZINC001571309382 946443277 /nfs/dbraw/zinc/44/32/77/946443277.db2.gz YRDKWEKVRPQAHW-GRYCIOLGSA-N -1 1 392.414 1.566 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCO[C@@H](c2ccco2)C1 ZINC000823606784 946453521 /nfs/dbraw/zinc/45/35/21/946453521.db2.gz MOKRYAHWUTYWNY-GFCCVEGCSA-N -1 1 395.828 1.875 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCO[C@@H](c2ccco2)C1 ZINC000823606784 946453544 /nfs/dbraw/zinc/45/35/44/946453544.db2.gz MOKRYAHWUTYWNY-GFCCVEGCSA-N -1 1 395.828 1.875 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CN(C)c2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001571313344 946517401 /nfs/dbraw/zinc/51/74/01/946517401.db2.gz NBGQOZPCPNLNTH-LSDHHAIUSA-N -1 1 392.467 1.745 20 0 GDADMM CCc1cccc(CC(=O)N[C@H]2C[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571313689 946530269 /nfs/dbraw/zinc/53/02/69/946530269.db2.gz TXJXAZAEHXNJCN-WKILWMFISA-N -1 1 392.467 1.769 20 0 GDADMM CCc1cccc(CC(=O)N[C@H]2C[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571313689 946530277 /nfs/dbraw/zinc/53/02/77/946530277.db2.gz TXJXAZAEHXNJCN-WKILWMFISA-N -1 1 392.467 1.769 20 0 GDADMM CC(=O)N(Cc1ccc(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)cc1)C1CC1 ZINC000823967148 946530559 /nfs/dbraw/zinc/53/05/59/946530559.db2.gz JGWJFNRBGJGCOA-UHFFFAOYSA-N -1 1 395.423 1.855 20 0 GDADMM CC(=O)N(Cc1ccc(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)cc1)C1CC1 ZINC000823967148 946530563 /nfs/dbraw/zinc/53/05/63/946530563.db2.gz JGWJFNRBGJGCOA-UHFFFAOYSA-N -1 1 395.423 1.855 20 0 GDADMM O=C(c1ccnc(C2CC2)n1)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571313824 946533480 /nfs/dbraw/zinc/53/34/80/946533480.db2.gz WIDNSJCZOGHPDC-GFCCVEGCSA-N -1 1 392.427 1.041 20 0 GDADMM O=C(c1ccnc(C2CC2)n1)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571313824 946533490 /nfs/dbraw/zinc/53/34/90/946533490.db2.gz WIDNSJCZOGHPDC-GFCCVEGCSA-N -1 1 392.427 1.041 20 0 GDADMM Cc1cc(C)c(C(=O)N2CCCN(c3cncc(-c4nnn[n-]4)n3)CC2)c(C)c1 ZINC001571314722 946543233 /nfs/dbraw/zinc/54/32/33/946543233.db2.gz BGAKJDFELJWNJZ-UHFFFAOYSA-N -1 1 392.467 1.934 20 0 GDADMM Cc1cc(C)c(C(=O)N2CCCN(c3cncc(-c4nn[n-]n4)n3)CC2)c(C)c1 ZINC001571314722 946543236 /nfs/dbraw/zinc/54/32/36/946543236.db2.gz BGAKJDFELJWNJZ-UHFFFAOYSA-N -1 1 392.467 1.934 20 0 GDADMM Cc1cccc(C(=O)N2CC[C@@H](C)[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)c1 ZINC001571315007 946547046 /nfs/dbraw/zinc/54/70/46/946547046.db2.gz GJKFKKCKAPHLCC-GDBMZVCRSA-N -1 1 392.467 1.597 20 0 GDADMM Cc1ccc(C)c(CC(=O)N2CCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)c1 ZINC001571315427 946553070 /nfs/dbraw/zinc/55/30/70/946553070.db2.gz KKPYTAOMLFMFNV-MRXNPFEDSA-N -1 1 392.467 1.919 20 0 GDADMM Cc1ccc(C)c(CC(=O)N2CCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)c1 ZINC001571315427 946553077 /nfs/dbraw/zinc/55/30/77/946553077.db2.gz KKPYTAOMLFMFNV-MRXNPFEDSA-N -1 1 392.467 1.919 20 0 GDADMM Cc1ccc(CC(=O)N2CCCN(c3ccnc(-c4nn[n-]n4)n3)CC2)cc1C ZINC001571315869 946560542 /nfs/dbraw/zinc/56/05/42/946560542.db2.gz QFAQTFZTLSRBRJ-UHFFFAOYSA-N -1 1 392.467 1.555 20 0 GDADMM Cc1ccc(CC(=O)N2C[C@H](C)[C@H](Nc3nccnc3-c3nnn[n-]3)C2)cc1C ZINC001571316059 946563053 /nfs/dbraw/zinc/56/30/53/946563053.db2.gz SUMYFUSJPOIKKP-GOEBONIOSA-N -1 1 392.467 1.775 20 0 GDADMM Cc1ccc(CC(=O)N2C[C@H](C)[C@H](Nc3nccnc3-c3nn[n-]n3)C2)cc1C ZINC001571316059 946563059 /nfs/dbraw/zinc/56/30/59/946563059.db2.gz SUMYFUSJPOIKKP-GOEBONIOSA-N -1 1 392.467 1.775 20 0 GDADMM C[C@H](C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-])S(=O)(=O)c1ccc(F)cc1 ZINC000824045231 946566899 /nfs/dbraw/zinc/56/68/99/946566899.db2.gz JPKNHXCHIGRPRF-SECBINFHSA-N -1 1 391.384 1.512 20 0 GDADMM Cc1cccc([C@@H](C)C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)c1 ZINC001571316179 946569765 /nfs/dbraw/zinc/56/97/65/946569765.db2.gz VPLTZKPUYWEURW-GDBMZVCRSA-N -1 1 392.467 1.854 20 0 GDADMM Cc1cccc([C@@H](C)C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)c1 ZINC001571316179 946569775 /nfs/dbraw/zinc/56/97/75/946569775.db2.gz VPLTZKPUYWEURW-GDBMZVCRSA-N -1 1 392.467 1.854 20 0 GDADMM Cc1ccccc1CC(=O)N1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1 ZINC001571316414 946576149 /nfs/dbraw/zinc/57/61/49/946576149.db2.gz BYNFNWFNWVVLKD-MRXNPFEDSA-N -1 1 392.467 1.857 20 0 GDADMM Cc1ccccc1CC(=O)N1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C1 ZINC001571316414 946576157 /nfs/dbraw/zinc/57/61/57/946576157.db2.gz BYNFNWFNWVVLKD-MRXNPFEDSA-N -1 1 392.467 1.857 20 0 GDADMM Cc1ccccc1C[C@H](C)C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571316951 946591916 /nfs/dbraw/zinc/59/19/16/946591916.db2.gz QKDNTWDHQTWKRB-GOEBONIOSA-N -1 1 392.467 1.857 20 0 GDADMM Cc1ccccc1C[C@H](C)C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571316951 946591922 /nfs/dbraw/zinc/59/19/22/946591922.db2.gz QKDNTWDHQTWKRB-GOEBONIOSA-N -1 1 392.467 1.857 20 0 GDADMM O=C(Cc1ccccc1)N1CCCCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571317061 946599500 /nfs/dbraw/zinc/59/95/00/946599500.db2.gz UJNIANPUFRTGAX-INIZCTEOSA-N -1 1 392.467 1.504 20 0 GDADMM CC(=O)NCc1ccc(CNC(=O)NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC001573533434 946714467 /nfs/dbraw/zinc/71/44/67/946714467.db2.gz QUJRVHOYCHRHGK-UHFFFAOYSA-N -1 1 385.453 1.564 20 0 GDADMM CC(=O)Nc1cc(NC(=O)c2[nH]c(=O)c(-c3nn[n-]n3)cc2C)c(F)cc1F ZINC001573543334 946805890 /nfs/dbraw/zinc/80/58/90/946805890.db2.gz VUOSAUJPUASARH-UHFFFAOYSA-N -1 1 389.322 1.765 20 0 GDADMM CC(=O)Nc1ccc(OS(=O)(=O)c2ccccc2-c2nn[n-]n2)c(F)c1F ZINC001573546568 946812778 /nfs/dbraw/zinc/81/27/78/946812778.db2.gz FRNALICJHNRZSP-UHFFFAOYSA-N -1 1 395.347 1.871 20 0 GDADMM C[C@@H]1[C@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824860882 946954956 /nfs/dbraw/zinc/95/49/56/946954956.db2.gz YSSGSFHGWCUUAO-NEPJUHHUSA-N -1 1 387.444 1.732 20 0 GDADMM C[C@@H]1[C@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000824860882 946954959 /nfs/dbraw/zinc/95/49/59/946954959.db2.gz YSSGSFHGWCUUAO-NEPJUHHUSA-N -1 1 387.444 1.732 20 0 GDADMM C[C@H]1C[C@H](C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)CCO1 ZINC000824868206 946962426 /nfs/dbraw/zinc/96/24/26/946962426.db2.gz UCWYPHPGQLPEHD-WCQYABFASA-N -1 1 387.444 1.196 20 0 GDADMM CC[C@@H]1C[C@@H](OC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)CCO1 ZINC000825181967 947109933 /nfs/dbraw/zinc/10/99/33/947109933.db2.gz GTKMIKBUCLLSIX-KGLIPLIRSA-N -1 1 399.455 1.960 20 0 GDADMM CC[C@@H]1C[C@@H](OC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)CCO1 ZINC000825181967 947109936 /nfs/dbraw/zinc/10/99/36/947109936.db2.gz GTKMIKBUCLLSIX-KGLIPLIRSA-N -1 1 399.455 1.960 20 0 GDADMM CCN(C(=O)Cc1noc(C)c1-c1nnn[n-]1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000825376734 947168852 /nfs/dbraw/zinc/16/88/52/947168852.db2.gz MYBRIHINBCQNLH-OAHLLOKOSA-N -1 1 395.423 1.360 20 0 GDADMM CCN(C(=O)Cc1noc(C)c1-c1nn[n-]n1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000825376734 947168853 /nfs/dbraw/zinc/16/88/53/947168853.db2.gz MYBRIHINBCQNLH-OAHLLOKOSA-N -1 1 395.423 1.360 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)N(C)Cc2ccc(F)cc2)c1-c1nn[n-]n1 ZINC000825564860 947220888 /nfs/dbraw/zinc/22/08/88/947220888.db2.gz HQUMSNHDBGEFRV-UHFFFAOYSA-N -1 1 387.375 1.038 20 0 GDADMM CCOC(=O)c1cnn(CC(=O)Nc2ccnn2C2CCCC2)c1-c1nn[n-]n1 ZINC000825570553 947230325 /nfs/dbraw/zinc/23/03/25/947230325.db2.gz LCIHDOKFMNJIDC-UHFFFAOYSA-N -1 1 399.415 1.190 20 0 GDADMM CCOc1cc2c(cc1CNC(=O)Cc1noc(C)c1-c1nnn[n-]1)O[C@H](C)C2 ZINC000825615798 947260161 /nfs/dbraw/zinc/26/01/61/947260161.db2.gz KZLLUNVUYXCUCP-SNVBAGLBSA-N -1 1 398.423 1.744 20 0 GDADMM CCOc1cc2c(cc1CNC(=O)Cc1noc(C)c1-c1nn[n-]n1)O[C@H](C)C2 ZINC000825615798 947260175 /nfs/dbraw/zinc/26/01/75/947260175.db2.gz KZLLUNVUYXCUCP-SNVBAGLBSA-N -1 1 398.423 1.744 20 0 GDADMM C[C@@H](C(=O)N(C)C1CCN(c2nccnc2-c2nnn[n-]2)CC1)C(F)(F)F ZINC001573591449 947309181 /nfs/dbraw/zinc/30/91/81/947309181.db2.gz BROKJCIBQUZHRB-VIFPVBQESA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H](C(=O)N(C)C1CCN(c2nccnc2-c2nn[n-]n2)CC1)C(F)(F)F ZINC001573591449 947309195 /nfs/dbraw/zinc/30/91/95/947309195.db2.gz BROKJCIBQUZHRB-VIFPVBQESA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H](C(=O)N(C)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)c1ccco1 ZINC001573591767 947320917 /nfs/dbraw/zinc/32/09/17/947320917.db2.gz FHPCZUUTOHEEGT-GFCCVEGCSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@@H](C(=O)N(C)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)c1ccco1 ZINC001573591767 947320926 /nfs/dbraw/zinc/32/09/26/947320926.db2.gz FHPCZUUTOHEEGT-GFCCVEGCSA-N -1 1 382.428 1.481 20 0 GDADMM CCc1nn(C)cc1CN1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000825763177 947321925 /nfs/dbraw/zinc/32/19/25/947321925.db2.gz RJVLDZKGJLRQKU-UHFFFAOYSA-N -1 1 383.460 1.350 20 0 GDADMM C[C@@H](C(=O)N(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)C(F)(F)F ZINC001573592657 947346869 /nfs/dbraw/zinc/34/68/69/947346869.db2.gz DWBDVSXNFDUCDX-KWQFWETISA-N -1 1 384.366 1.504 20 0 GDADMM C[C@@H](C(=O)N(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)C(F)(F)F ZINC001573592657 947346882 /nfs/dbraw/zinc/34/68/82/947346882.db2.gz DWBDVSXNFDUCDX-KWQFWETISA-N -1 1 384.366 1.504 20 0 GDADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1cncc(-c2nnn[n-]2)n1)C(C)(F)F ZINC001573593131 947361481 /nfs/dbraw/zinc/36/14/81/947361481.db2.gz QJGLAOQNMJXPTH-JTQLQIEISA-N -1 1 382.419 1.845 20 0 GDADMM C[C@@H](C(=O)N(C)CC(C)(C)CNc1cncc(-c2nn[n-]n2)n1)C(C)(F)F ZINC001573593131 947361492 /nfs/dbraw/zinc/36/14/92/947361492.db2.gz QJGLAOQNMJXPTH-JTQLQIEISA-N -1 1 382.419 1.845 20 0 GDADMM C[C@@H](C(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1cccs1 ZINC001573593392 947371506 /nfs/dbraw/zinc/37/15/06/947371506.db2.gz SOUPXBISHIXIJB-VXGBXAGGSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@@H](C(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1cccs1 ZINC001573593392 947371513 /nfs/dbraw/zinc/37/15/13/947371513.db2.gz SOUPXBISHIXIJB-VXGBXAGGSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@H](C(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccsc1 ZINC001573594050 947386962 /nfs/dbraw/zinc/38/69/62/947386962.db2.gz WXFXENXZMCICEW-AAEUAGOBSA-N -1 1 384.469 1.559 20 0 GDADMM C[C@@H](C(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)nn1)c1ccsc1 ZINC001573594322 947391473 /nfs/dbraw/zinc/39/14/73/947391473.db2.gz ABEZECPIGVZMLD-GFCCVEGCSA-N -1 1 386.485 1.807 20 0 GDADMM C[C@@H](C(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)nn1)c1ccsc1 ZINC001573594322 947391474 /nfs/dbraw/zinc/39/14/74/947391474.db2.gz ABEZECPIGVZMLD-GFCCVEGCSA-N -1 1 386.485 1.807 20 0 GDADMM C[C@H](C(=O)N(C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C(F)(F)F ZINC001573594391 947394666 /nfs/dbraw/zinc/39/46/66/947394666.db2.gz YOCSJFKAJZZRES-SECBINFHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@H](C(=O)N(C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C(F)(F)F ZINC001573594391 947394677 /nfs/dbraw/zinc/39/46/77/947394677.db2.gz YOCSJFKAJZZRES-SECBINFHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@H](C(=O)N(C)[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)n1cccc1 ZINC001573595283 947417445 /nfs/dbraw/zinc/41/74/45/947417445.db2.gz XEYVNUHKTVLSDO-IUODEOHRSA-N -1 1 381.444 1.368 20 0 GDADMM C[C@H](C(=O)N(C)[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)n1cccc1 ZINC001573595283 947417447 /nfs/dbraw/zinc/41/74/47/947417447.db2.gz XEYVNUHKTVLSDO-IUODEOHRSA-N -1 1 381.444 1.368 20 0 GDADMM C[C@H](C(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nn1)c1cccc(F)c1 ZINC001573604069 947501602 /nfs/dbraw/zinc/50/16/02/947501602.db2.gz RJIKUHOVZJTKQU-LBPRGKRZSA-N -1 1 384.419 1.494 20 0 GDADMM C[C@H](C(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nn1)c1cccc(F)c1 ZINC001573604069 947501609 /nfs/dbraw/zinc/50/16/09/947501609.db2.gz RJIKUHOVZJTKQU-LBPRGKRZSA-N -1 1 384.419 1.494 20 0 GDADMM C[C@@H](C(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1)n1cnc2ccccc21 ZINC001573605672 947531766 /nfs/dbraw/zinc/53/17/66/947531766.db2.gz YGFQJLOCIKKVKC-LBPRGKRZSA-N -1 1 392.427 1.138 20 0 GDADMM C[C@@H](C(=O)N(C)CCNc1cnc(-c2nn[n-]n2)cn1)n1cnc2ccccc21 ZINC001573605672 947531767 /nfs/dbraw/zinc/53/17/67/947531767.db2.gz YGFQJLOCIKKVKC-LBPRGKRZSA-N -1 1 392.427 1.138 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1)C(C)(F)F ZINC001573613666 947566431 /nfs/dbraw/zinc/56/64/31/947566431.db2.gz GDDUGOHRQKVHPU-MWLCHTKSSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@H](C(=O)N1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C1)C(C)(F)F ZINC001573613666 947566437 /nfs/dbraw/zinc/56/64/37/947566437.db2.gz GDDUGOHRQKVHPU-MWLCHTKSSA-N -1 1 380.403 1.597 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1)C(C)(F)F ZINC001573614465 947586234 /nfs/dbraw/zinc/58/62/34/947586234.db2.gz FUKRGQYKHUVTLY-GHMZBOCLSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H](C(=O)N1CC[C@@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1)C(C)(F)F ZINC001573614465 947586242 /nfs/dbraw/zinc/58/62/42/947586242.db2.gz FUKRGQYKHUVTLY-GHMZBOCLSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1)C(C)(F)F ZINC001573614467 947586518 /nfs/dbraw/zinc/58/65/18/947586518.db2.gz FUKRGQYKHUVTLY-MNOVXSKESA-N -1 1 380.403 1.599 20 0 GDADMM C[C@H](C(=O)N1CC[C@H](CCNc2cnc(-c3nn[n-]n3)cn2)C1)C(C)(F)F ZINC001573614467 947586521 /nfs/dbraw/zinc/58/65/21/947586521.db2.gz FUKRGQYKHUVTLY-MNOVXSKESA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)c1cccnc1 ZINC001573614874 947596190 /nfs/dbraw/zinc/59/61/90/947596190.db2.gz AYDLHIAGFXQDFW-OLZOCXBDSA-N -1 1 379.428 1.116 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)c1cccnc1 ZINC001573614874 947596196 /nfs/dbraw/zinc/59/61/96/947596196.db2.gz AYDLHIAGFXQDFW-OLZOCXBDSA-N -1 1 379.428 1.116 20 0 GDADMM C=Cc1ccc(C(=O)N2C[C@H](C)[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573351063 947608513 /nfs/dbraw/zinc/60/85/13/947608513.db2.gz JGZWLBKMQJWFRP-SWLSCSKDSA-N -1 1 376.424 1.294 20 0 GDADMM C[C@@H](C(=O)N1CCC(C)(Nc2cnc(-c3nnn[n-]3)cn2)CC1)[C@@H]1CCCO1 ZINC001573617890 947643381 /nfs/dbraw/zinc/64/33/81/947643381.db2.gz QDXDAFLTHSZKBV-OCCSQVGLSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H](C(=O)N1CCC(C)(Nc2cnc(-c3nn[n-]n3)cn2)CC1)[C@@H]1CCCO1 ZINC001573617890 947643399 /nfs/dbraw/zinc/64/33/99/947643399.db2.gz QDXDAFLTHSZKBV-OCCSQVGLSA-N -1 1 386.460 1.265 20 0 GDADMM C[C@@H](C(=O)N1CCC(C)(Nc2cncc(-c3nnn[n-]3)n2)CC1)C(F)(F)F ZINC001573618269 947648000 /nfs/dbraw/zinc/64/80/00/947648000.db2.gz RIGDREJWFILZDF-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](C(=O)N1CCC(C)(Nc2cncc(-c3nn[n-]n3)n2)CC1)C(F)(F)F ZINC001573618269 947648005 /nfs/dbraw/zinc/64/80/05/947648005.db2.gz RIGDREJWFILZDF-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM C=Cc1ccc(C(=O)N2CCCN(c3nc(C)cc(-c4nnn[n-]4)n3)CC2)cc1 ZINC001573356126 947648679 /nfs/dbraw/zinc/64/86/79/947648679.db2.gz UFKFLPSYVCVJKK-UHFFFAOYSA-N -1 1 390.451 1.961 20 0 GDADMM C=Cc1ccc(C(=O)N2CCCN(c3nc(C)cc(-c4nn[n-]n4)n3)CC2)cc1 ZINC001573356126 947648685 /nfs/dbraw/zinc/64/86/85/947648685.db2.gz UFKFLPSYVCVJKK-UHFFFAOYSA-N -1 1 390.451 1.961 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@@H](C)N(CC)c2nccnc2-c2nnn[n-]2)cc1 ZINC001573358047 947655452 /nfs/dbraw/zinc/65/54/52/947655452.db2.gz AAKCIEVUVWZNFI-CYBMUJFWSA-N -1 1 378.440 1.945 20 0 GDADMM C=Cc1ccc(C(=O)NC[C@@H](C)N(CC)c2nccnc2-c2nn[n-]n2)cc1 ZINC001573358047 947655460 /nfs/dbraw/zinc/65/54/60/947655460.db2.gz AAKCIEVUVWZNFI-CYBMUJFWSA-N -1 1 378.440 1.945 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N2CCCc3cccc(O)c32)cc1-c1nn[n-]n1 ZINC000826229710 947672468 /nfs/dbraw/zinc/67/24/68/947672468.db2.gz OFCJZYIEFCWHEF-UHFFFAOYSA-N -1 1 384.421 1.988 20 0 GDADMM C=Cc1ccc(C(=O)NCC[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001573359446 947685843 /nfs/dbraw/zinc/68/58/43/947685843.db2.gz TYDWNVWIYHWORY-OAHLLOKOSA-N -1 1 390.451 1.946 20 0 GDADMM C=Cc1ccc(C(=O)NCC[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001573359446 947685851 /nfs/dbraw/zinc/68/58/51/947685851.db2.gz TYDWNVWIYHWORY-OAHLLOKOSA-N -1 1 390.451 1.946 20 0 GDADMM C=Cc1ccc(C(=O)NCC[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)cc1 ZINC001573359694 947689845 /nfs/dbraw/zinc/68/98/45/947689845.db2.gz YHRNUVJFAGWMLY-OAHLLOKOSA-N -1 1 390.451 1.946 20 0 GDADMM C=Cc1ccc(C(=O)NCC[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)cc1 ZINC001573359694 947689851 /nfs/dbraw/zinc/68/98/51/947689851.db2.gz YHRNUVJFAGWMLY-OAHLLOKOSA-N -1 1 390.451 1.946 20 0 GDADMM C[C@@H](C(=O)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1)c1cccnc1 ZINC001573626970 947717054 /nfs/dbraw/zinc/71/70/54/947717054.db2.gz YFUFDOHTFWWYJK-GFCCVEGCSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@@H](C(=O)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1)c1cccnc1 ZINC001573626970 947717068 /nfs/dbraw/zinc/71/70/68/947717068.db2.gz YFUFDOHTFWWYJK-GFCCVEGCSA-N -1 1 379.428 1.258 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001573627809 947733683 /nfs/dbraw/zinc/73/36/83/947733683.db2.gz CMOGZGAOUFCXRO-ZIAGYGMSSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001573627809 947733689 /nfs/dbraw/zinc/73/36/89/947733689.db2.gz CMOGZGAOUFCXRO-ZIAGYGMSSA-N -1 1 381.444 1.370 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@H](c2c[nH]c3ncccc23)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001573628047 947743703 /nfs/dbraw/zinc/74/37/03/947743703.db2.gz HRANHNIRNWCWKY-RYUDHWBXSA-N -1 1 392.427 1.302 20 0 GDADMM CC(=O)CCCC(=O)N(C)[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573369140 947770999 /nfs/dbraw/zinc/77/09/99/947770999.db2.gz QMZNCLIYXOGXNA-LBPRGKRZSA-N -1 1 377.474 1.428 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001573629262 947775659 /nfs/dbraw/zinc/77/56/59/947775659.db2.gz NBDHJAQOHXJOFJ-VHSXEESVSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001573629262 947775664 /nfs/dbraw/zinc/77/56/64/947775664.db2.gz NBDHJAQOHXJOFJ-VHSXEESVSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H](C(=O)N1CCCCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)C1CCC1 ZINC001573629392 947780264 /nfs/dbraw/zinc/78/02/64/947780264.db2.gz SSBJOCAYGNZTHW-UKRRQHHQSA-N -1 1 384.488 1.698 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@@H]1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001573372663 947782503 /nfs/dbraw/zinc/78/25/03/947782503.db2.gz BJLSVGKCAHKNQH-CQSZACIVSA-N -1 1 386.460 1.517 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@@H]1CNc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001573372663 947782505 /nfs/dbraw/zinc/78/25/05/947782505.db2.gz BJLSVGKCAHKNQH-CQSZACIVSA-N -1 1 386.460 1.517 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)C(F)(F)F ZINC001573629704 947782475 /nfs/dbraw/zinc/78/24/75/947782475.db2.gz PJLZPTAPEIKZTB-NXEZZACHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@H](C(=O)N1CCC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001573629704 947782480 /nfs/dbraw/zinc/78/24/80/947782480.db2.gz PJLZPTAPEIKZTB-NXEZZACHSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H](C(=O)N1CC[C@@]2(C1)CCCN(c1ccnc(-c3nn[n-]n3)n1)C2)C1CC1 ZINC001573630649 947794555 /nfs/dbraw/zinc/79/45/55/947794555.db2.gz RJYNIPPPOUWGBA-YJYMSZOUSA-N -1 1 382.472 1.522 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccsc1 ZINC001573630694 947795250 /nfs/dbraw/zinc/79/52/50/947795250.db2.gz RQCGNPQXNSJHKC-AAEUAGOBSA-N -1 1 384.469 1.925 20 0 GDADMM C[C@H](C(=O)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccsc1 ZINC001573630694 947795258 /nfs/dbraw/zinc/79/52/58/947795258.db2.gz RQCGNPQXNSJHKC-AAEUAGOBSA-N -1 1 384.469 1.925 20 0 GDADMM CC(=O)CCCC(=O)N[C@]1(C)CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001573373497 947795925 /nfs/dbraw/zinc/79/59/25/947795925.db2.gz CUPOXBMOPVCPOY-MRXNPFEDSA-N -1 1 377.474 1.476 20 0 GDADMM CC(=O)CCCC(=O)N1CCC[C@H](Nc2snc(C)c2-c2nn[n-]n2)C1 ZINC001573373654 947796953 /nfs/dbraw/zinc/79/69/53/947796953.db2.gz JUPQXSHYMBZLKJ-LBPRGKRZSA-N -1 1 377.474 1.794 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001573631496 947801525 /nfs/dbraw/zinc/80/15/25/947801525.db2.gz VNFOASIHVLNSPF-UONOGXRCSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001573631496 947801534 /nfs/dbraw/zinc/80/15/34/947801534.db2.gz VNFOASIHVLNSPF-UONOGXRCSA-N -1 1 381.444 1.147 20 0 GDADMM CC(=O)CCCC(=O)N[C@]12CCC[C@@H]1N(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001573374118 947803770 /nfs/dbraw/zinc/80/37/70/947803770.db2.gz HRPHOVZQXIPPPL-KSSFIOAISA-N -1 1 384.444 1.034 20 0 GDADMM CC(=O)CCCC(=O)N[C@]12CCC[C@@H]1N(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001573374118 947803779 /nfs/dbraw/zinc/80/37/79/947803779.db2.gz HRPHOVZQXIPPPL-KSSFIOAISA-N -1 1 384.444 1.034 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@@H]1[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001573374528 947809261 /nfs/dbraw/zinc/80/92/61/947809261.db2.gz NUXXYLBCQXQOES-DZGCQCFKSA-N -1 1 386.460 1.598 20 0 GDADMM CC(=O)CCCC(=O)N1CCCC[C@@H]1[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001573374528 947809266 /nfs/dbraw/zinc/80/92/66/947809266.db2.gz NUXXYLBCQXQOES-DZGCQCFKSA-N -1 1 386.460 1.598 20 0 GDADMM C[C@@H](C(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)c1ccsc1 ZINC001573638038 947831931 /nfs/dbraw/zinc/83/19/31/947831931.db2.gz ZKGDGSOVHASNFZ-GFCCVEGCSA-N -1 1 384.469 1.561 20 0 GDADMM CC(=O)CCCC(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C1CCCC1 ZINC001573376505 947837876 /nfs/dbraw/zinc/83/78/76/947837876.db2.gz VYNKYWAXOGMADQ-CQSZACIVSA-N -1 1 386.460 1.503 20 0 GDADMM CC(=O)CCCC(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C1CCCC1 ZINC001573376505 947837882 /nfs/dbraw/zinc/83/78/82/947837882.db2.gz VYNKYWAXOGMADQ-CQSZACIVSA-N -1 1 386.460 1.503 20 0 GDADMM CC(=O)CCCC(=O)N1C[C@@H](C)[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001573378288 947854914 /nfs/dbraw/zinc/85/49/14/947854914.db2.gz XZUAXWAWKAFTLF-TZMCWYRMSA-N -1 1 386.460 1.313 20 0 GDADMM CC(=O)CCCC(=O)N1C[C@@H](C)[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001573378288 947854922 /nfs/dbraw/zinc/85/49/22/947854922.db2.gz XZUAXWAWKAFTLF-TZMCWYRMSA-N -1 1 386.460 1.313 20 0 GDADMM Cc1cccc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1F ZINC000826299705 947869770 /nfs/dbraw/zinc/86/97/70/947869770.db2.gz QPDZADYSFUSCJL-GFCCVEGCSA-N -1 1 397.418 1.847 20 0 GDADMM Cc1cccc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1F ZINC000826299705 947869774 /nfs/dbraw/zinc/86/97/74/947869774.db2.gz QPDZADYSFUSCJL-GFCCVEGCSA-N -1 1 397.418 1.847 20 0 GDADMM CC(=O)CCCC(=O)NC[C@]1(C)CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001573381395 947874725 /nfs/dbraw/zinc/87/47/25/947874725.db2.gz UTLKLQMQXMGIKY-SFHVURJKSA-N -1 1 386.460 1.139 20 0 GDADMM CC(=O)CCCC(=O)NC[C@]1(C)CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001573381395 947874731 /nfs/dbraw/zinc/87/47/31/947874731.db2.gz UTLKLQMQXMGIKY-SFHVURJKSA-N -1 1 386.460 1.139 20 0 GDADMM CC(=O)CCCC(=O)NCCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573382034 947881676 /nfs/dbraw/zinc/88/16/76/947881676.db2.gz CODOFIQMMYZAMS-UHFFFAOYSA-N -1 1 386.460 1.139 20 0 GDADMM CC(=O)CCCC(=O)NCCC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573382034 947881687 /nfs/dbraw/zinc/88/16/87/947881687.db2.gz CODOFIQMMYZAMS-UHFFFAOYSA-N -1 1 386.460 1.139 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](CNc2cncc(-c3nnn[n-]3)n2)[C@H](C)C1)c1ccco1 ZINC001573647379 947891101 /nfs/dbraw/zinc/89/11/01/947891101.db2.gz JKNKNLOGHJJQOS-JHJVBQTASA-N -1 1 382.428 1.560 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](CNc2cncc(-c3nn[n-]n3)n2)[C@H](C)C1)c1ccco1 ZINC001573647379 947891108 /nfs/dbraw/zinc/89/11/08/947891108.db2.gz JKNKNLOGHJJQOS-JHJVBQTASA-N -1 1 382.428 1.560 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](CNc2nccnc2-c2nnn[n-]2)[C@H](C)C1)C1CCCC1 ZINC001573647637 947899209 /nfs/dbraw/zinc/89/92/09/947899209.db2.gz RAHWZJUNBPWSKD-UMVBOHGHSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](CNc2nccnc2-c2nn[n-]n2)[C@H](C)C1)C1CCCC1 ZINC001573647637 947899217 /nfs/dbraw/zinc/89/92/17/947899217.db2.gz RAHWZJUNBPWSKD-UMVBOHGHSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](CNc2cncc(-c3nnn[n-]3)n2)[C@H](C)C1)C1CCCC1 ZINC001573647705 947901422 /nfs/dbraw/zinc/90/14/22/947901422.db2.gz SEUMGUSFHLTPCU-UMVBOHGHSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H](C(=O)N1C[C@@H](CNc2cncc(-c3nn[n-]n3)n2)[C@H](C)C1)C1CCCC1 ZINC001573647705 947901432 /nfs/dbraw/zinc/90/14/32/947901432.db2.gz SEUMGUSFHLTPCU-UMVBOHGHSA-N -1 1 384.488 1.989 20 0 GDADMM CC(=O)CCCC(=O)N[C@H](C)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573384603 947905451 /nfs/dbraw/zinc/90/54/51/947905451.db2.gz SEKGIIREHGVODP-CYBMUJFWSA-N -1 1 386.460 1.137 20 0 GDADMM CC(=O)CCCC(=O)N[C@H](C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001573384603 947905457 /nfs/dbraw/zinc/90/54/57/947905457.db2.gz SEKGIIREHGVODP-CYBMUJFWSA-N -1 1 386.460 1.137 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@@]2(C)C1)C1CCC1 ZINC001573651250 947919941 /nfs/dbraw/zinc/91/99/41/947919941.db2.gz KMXHGUJWFYKESO-TVZGQMOCSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H](C(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@@]2(C)C1)C1CCC1 ZINC001573651250 947919946 /nfs/dbraw/zinc/91/99/46/947919946.db2.gz KMXHGUJWFYKESO-TVZGQMOCSA-N -1 1 382.472 1.378 20 0 GDADMM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1)c1cccs1 ZINC001573651869 947924986 /nfs/dbraw/zinc/92/49/86/947924986.db2.gz QDPILRLLGCFXDA-SRVKXCTJSA-N -1 1 382.453 1.311 20 0 GDADMM C[C@H](C(=O)N=[S@](C)(=O)c1ccc(Cl)cc1)n1cnc(-c2nn[n-]n2)n1 ZINC001573652296 947933946 /nfs/dbraw/zinc/93/39/46/947933946.db2.gz WVHFXUXHTOEZRU-IWHNICOQSA-N -1 1 380.821 1.356 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C(C)(C)C)n1cccn1 ZINC001573652677 947945034 /nfs/dbraw/zinc/94/50/34/947945034.db2.gz GHRXIKQFRQBQNH-YPMHNXCESA-N -1 1 384.448 1.057 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C(C)(C)C)n1cccn1 ZINC001573652677 947945041 /nfs/dbraw/zinc/94/50/41/947945041.db2.gz GHRXIKQFRQBQNH-YPMHNXCESA-N -1 1 384.448 1.057 20 0 GDADMM C[C@@H](C(=O)N[C@@](C)(CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)C(F)(F)F ZINC001573652901 947949636 /nfs/dbraw/zinc/94/96/36/947949636.db2.gz IAXBASQJWQGDBO-RTHLEPHNSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@@H](C(=O)N[C@@](C)(CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)C(F)(F)F ZINC001573652901 947949644 /nfs/dbraw/zinc/94/96/44/947949644.db2.gz IAXBASQJWQGDBO-RTHLEPHNSA-N -1 1 384.366 1.552 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCC(F)(F)C1 ZINC000826328178 947957398 /nfs/dbraw/zinc/95/73/98/947957398.db2.gz IBHXKMCIOSZIQS-UHFFFAOYSA-N -1 1 376.371 1.326 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCC(F)(F)C1 ZINC000826328178 947957403 /nfs/dbraw/zinc/95/74/03/947957403.db2.gz IBHXKMCIOSZIQS-UHFFFAOYSA-N -1 1 376.371 1.326 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C(C)(C)C)n1cccc1 ZINC001573655787 947981570 /nfs/dbraw/zinc/98/15/70/947981570.db2.gz YUZWEEMBWKBKEN-OCCSQVGLSA-N -1 1 383.460 1.662 20 0 GDADMM C[C@H](C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C(C)(C)C)n1cccc1 ZINC001573655787 947981577 /nfs/dbraw/zinc/98/15/77/947981577.db2.gz YUZWEEMBWKBKEN-OCCSQVGLSA-N -1 1 383.460 1.662 20 0 GDADMM C[C@@H](C(=O)NC1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)c1ccco1 ZINC001573657099 947996831 /nfs/dbraw/zinc/99/68/31/947996831.db2.gz KMHRQNZYFUVRHL-GFCCVEGCSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](C(=O)NC1(C)CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)c1ccco1 ZINC001573657099 947996837 /nfs/dbraw/zinc/99/68/37/947996837.db2.gz KMHRQNZYFUVRHL-GFCCVEGCSA-N -1 1 382.428 1.529 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@@H]2c2nc3ccccc3n2C)c1-c1nnn[n-]1 ZINC000826344691 948010704 /nfs/dbraw/zinc/01/07/04/948010704.db2.gz OWWFPPVVTCFYCR-OAHLLOKOSA-N -1 1 392.423 1.956 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@@H]2c2nc3ccccc3n2C)c1-c1nn[n-]n1 ZINC000826344691 948010715 /nfs/dbraw/zinc/01/07/15/948010715.db2.gz OWWFPPVVTCFYCR-OAHLLOKOSA-N -1 1 392.423 1.956 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@H]2c2nc3ccccc3n2C)c1-c1nnn[n-]1 ZINC000826344690 948012320 /nfs/dbraw/zinc/01/23/20/948012320.db2.gz OWWFPPVVTCFYCR-HNNXBMFYSA-N -1 1 392.423 1.956 20 0 GDADMM Cc1onc(CC(=O)N2CCC[C@H]2c2nc3ccccc3n2C)c1-c1nn[n-]n1 ZINC000826344690 948012329 /nfs/dbraw/zinc/01/23/29/948012329.db2.gz OWWFPPVVTCFYCR-HNNXBMFYSA-N -1 1 392.423 1.956 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)c1-c1nnn[n-]1 ZINC000826345739 948029309 /nfs/dbraw/zinc/02/93/09/948029309.db2.gz SMYUETOGNHKAKS-LBPRGKRZSA-N -1 1 380.330 1.995 20 0 GDADMM Cc1onc(CC(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)c1-c1nn[n-]n1 ZINC000826345739 948029317 /nfs/dbraw/zinc/02/93/17/948029317.db2.gz SMYUETOGNHKAKS-LBPRGKRZSA-N -1 1 380.330 1.995 20 0 GDADMM Cc1onc(CC(=O)N[C@H](C)c2ccc(N3CCCC3=O)cc2)c1-c1nnn[n-]1 ZINC000826345712 948029509 /nfs/dbraw/zinc/02/95/09/948029509.db2.gz RULKJDYNSFEKNB-LLVKDONJSA-N -1 1 395.423 1.710 20 0 GDADMM Cc1onc(CC(=O)N[C@H](C)c2ccc(N3CCCC3=O)cc2)c1-c1nn[n-]n1 ZINC000826345712 948029518 /nfs/dbraw/zinc/02/95/18/948029518.db2.gz RULKJDYNSFEKNB-LLVKDONJSA-N -1 1 395.423 1.710 20 0 GDADMM Cc1onc(CC(=O)N[C@H](C)c2ccccc2-n2cccn2)c1-c1nnn[n-]1 ZINC000826345826 948030428 /nfs/dbraw/zinc/03/04/28/948030428.db2.gz VHCPRFWFKORRSR-LLVKDONJSA-N -1 1 378.396 1.769 20 0 GDADMM Cc1onc(CC(=O)N[C@H](C)c2ccccc2-n2cccn2)c1-c1nn[n-]n1 ZINC000826345826 948030434 /nfs/dbraw/zinc/03/04/34/948030434.db2.gz VHCPRFWFKORRSR-LLVKDONJSA-N -1 1 378.396 1.769 20 0 GDADMM Cc1onc(CC(=O)NCC(C)(C)c2ccc3c(c2)OCO3)c1-c1nnn[n-]1 ZINC000826346246 948037971 /nfs/dbraw/zinc/03/79/71/948037971.db2.gz HJLXSVKIMMGCLZ-UHFFFAOYSA-N -1 1 384.396 1.528 20 0 GDADMM Cc1onc(CC(=O)NCC(C)(C)c2ccc3c(c2)OCO3)c1-c1nn[n-]n1 ZINC000826346246 948037979 /nfs/dbraw/zinc/03/79/79/948037979.db2.gz HJLXSVKIMMGCLZ-UHFFFAOYSA-N -1 1 384.396 1.528 20 0 GDADMM C[C@H](C(=O)NC1CCC(Nc2nccnc2-c2nnn[n-]2)CC1)C(C)(F)F ZINC001573663810 948041353 /nfs/dbraw/zinc/04/13/53/948041353.db2.gz AJAUVMAWGZFJGT-KPPDAEKUSA-N -1 1 380.403 1.787 20 0 GDADMM C[C@H](C(=O)NC1CCC(Nc2nccnc2-c2nn[n-]n2)CC1)C(C)(F)F ZINC001573663810 948041365 /nfs/dbraw/zinc/04/13/65/948041365.db2.gz AJAUVMAWGZFJGT-KPPDAEKUSA-N -1 1 380.403 1.787 20 0 GDADMM Cc1onc(CC(=O)NCc2ccc(N3CCCCCC3)nc2)c1-c1nn[n-]n1 ZINC000826348137 948064940 /nfs/dbraw/zinc/06/49/40/948064940.db2.gz WPFXKKKSDINSLV-UHFFFAOYSA-N -1 1 396.455 1.797 20 0 GDADMM Cc1onc(CC(=O)NCc2ccc(N3CCCCC3)nc2)c1-c1nn[n-]n1 ZINC000826348150 948068913 /nfs/dbraw/zinc/06/89/13/948068913.db2.gz XFZSUKVHLTXVDB-UHFFFAOYSA-N -1 1 382.428 1.407 20 0 GDADMM Cc1onc(CC(=O)Nc2ccccc2C(=O)N2CCCC2)c1-c1nnn[n-]1 ZINC000826349075 948088444 /nfs/dbraw/zinc/08/84/44/948088444.db2.gz SHKNAAOAHFCVST-UHFFFAOYSA-N -1 1 381.396 1.580 20 0 GDADMM Cc1onc(CC(=O)Nc2ccccc2C(=O)N2CCCC2)c1-c1nn[n-]n1 ZINC000826349075 948088451 /nfs/dbraw/zinc/08/84/51/948088451.db2.gz SHKNAAOAHFCVST-UHFFFAOYSA-N -1 1 381.396 1.580 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1)c1ccco1 ZINC001573666745 948088516 /nfs/dbraw/zinc/08/85/16/948088516.db2.gz VXSDTQKOBOHVBB-OLZOCXBDSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1)c1ccco1 ZINC001573666745 948088524 /nfs/dbraw/zinc/08/85/24/948088524.db2.gz VXSDTQKOBOHVBB-OLZOCXBDSA-N -1 1 382.428 1.529 20 0 GDADMM C[C@H](C(=O)NC1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)C(F)(F)F ZINC001573666676 948090278 /nfs/dbraw/zinc/09/02/78/948090278.db2.gz VGNYTYAQVZBHLM-XNWIYYODSA-N -1 1 384.366 1.116 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC12CCN(c1cncc(-c3nnn[n-]3)n1)CC2)C1CCC1 ZINC001573667305 948097738 /nfs/dbraw/zinc/09/77/38/948097738.db2.gz YXRCFBIWGAHEBU-DOMZBBRYSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CC12CCN(c1cncc(-c3nn[n-]n3)n1)CC2)C1CCC1 ZINC001573667305 948097750 /nfs/dbraw/zinc/09/77/50/948097750.db2.gz YXRCFBIWGAHEBU-DOMZBBRYSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](C(=O)NC1CC2(C1)CC(Nc1nccnc1-c1nnn[n-]1)C2)C(C)(F)F ZINC001573667436 948099445 /nfs/dbraw/zinc/09/94/45/948099445.db2.gz ZPVWNVYCADEHPG-QGPLQOLKSA-N -1 1 392.414 1.787 20 0 GDADMM C[C@H](C(=O)NC1CC2(C1)CC(Nc1nccnc1-c1nn[n-]n1)C2)C(C)(F)F ZINC001573667436 948099453 /nfs/dbraw/zinc/09/94/53/948099453.db2.gz ZPVWNVYCADEHPG-QGPLQOLKSA-N -1 1 392.414 1.787 20 0 GDADMM C[C@H](C(=O)N[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C)C(F)(F)F ZINC001573676862 948130282 /nfs/dbraw/zinc/13/02/82/948130282.db2.gz AWXGIQXIYXHABY-SCZZXKLOSA-N -1 1 384.366 1.186 20 0 GDADMM C[C@H](C(=O)N[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C)C(F)(F)F ZINC001573676862 948130283 /nfs/dbraw/zinc/13/02/83/948130283.db2.gz AWXGIQXIYXHABY-SCZZXKLOSA-N -1 1 384.366 1.186 20 0 GDADMM C[C@@H](C(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1)c1cccnc1 ZINC001573678560 948151924 /nfs/dbraw/zinc/15/19/24/948151924.db2.gz FEHVWKAIGCXPDZ-IAQYHMDHSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@@H](C(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1)c1cccnc1 ZINC001573678560 948151927 /nfs/dbraw/zinc/15/19/27/948151927.db2.gz FEHVWKAIGCXPDZ-IAQYHMDHSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@H](C(=O)NC[C@H](CO)Nc1snc(Cl)c1-c1nnn[n-]1)C1CCC1 ZINC001573679444 948162510 /nfs/dbraw/zinc/16/25/10/948162510.db2.gz IWKWMXYPFOYREN-IONNQARKSA-N -1 1 385.881 1.302 20 0 GDADMM C[C@H](C(=O)NC[C@H](CO)Nc1snc(Cl)c1-c1nn[n-]n1)C1CCC1 ZINC001573679444 948162515 /nfs/dbraw/zinc/16/25/15/948162515.db2.gz IWKWMXYPFOYREN-IONNQARKSA-N -1 1 385.881 1.302 20 0 GDADMM CC(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573428991 948168419 /nfs/dbraw/zinc/16/84/19/948168419.db2.gz FQCGKFBERQBOMP-MMWGEVLESA-N -1 1 379.877 1.670 20 0 GDADMM CC(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573428991 948168422 /nfs/dbraw/zinc/16/84/22/948168422.db2.gz FQCGKFBERQBOMP-MMWGEVLESA-N -1 1 379.877 1.670 20 0 GDADMM C[C@@H](C(=O)NC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1)c1ccsc1 ZINC001573680495 948180073 /nfs/dbraw/zinc/18/00/73/948180073.db2.gz OEQKRQYPBNBLSW-MFKMUULPSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)NC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1)c1ccsc1 ZINC001573680495 948180078 /nfs/dbraw/zinc/18/00/78/948180078.db2.gz OEQKRQYPBNBLSW-MFKMUULPSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C)c1ccco1 ZINC001573680615 948183439 /nfs/dbraw/zinc/18/34/39/948183439.db2.gz QZLYHUUQLADHBU-RISCZKNCSA-N -1 1 382.428 1.384 20 0 GDADMM C[C@@H](C(=O)N[C@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C)c1ccco1 ZINC001573680615 948183444 /nfs/dbraw/zinc/18/34/44/948183444.db2.gz QZLYHUUQLADHBU-RISCZKNCSA-N -1 1 382.428 1.384 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCCC1)[C@H]1CCCO1 ZINC001573690746 948227676 /nfs/dbraw/zinc/22/76/76/948227676.db2.gz ARJLJAXOKCVXBN-GXTWGEPZSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCCC1)[C@H]1CCCO1 ZINC001573690746 948227686 /nfs/dbraw/zinc/22/76/86/948227686.db2.gz ARJLJAXOKCVXBN-GXTWGEPZSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCC1)c1cccs1 ZINC001573690820 948229948 /nfs/dbraw/zinc/22/99/48/948229948.db2.gz BOWHVGGBLVTGAL-NSHDSACASA-N -1 1 384.469 1.973 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCC1)c1cccs1 ZINC001573690820 948229956 /nfs/dbraw/zinc/22/99/56/948229956.db2.gz BOWHVGGBLVTGAL-NSHDSACASA-N -1 1 384.469 1.973 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCC1)c1cccs1 ZINC001573691088 948234853 /nfs/dbraw/zinc/23/48/53/948234853.db2.gz CSKVRLGFVKKAPE-LLVKDONJSA-N -1 1 384.469 1.973 20 0 GDADMM C[C@@H](C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCC1)c1cccs1 ZINC001573691088 948234864 /nfs/dbraw/zinc/23/48/64/948234864.db2.gz CSKVRLGFVKKAPE-LLVKDONJSA-N -1 1 384.469 1.973 20 0 GDADMM C[C@@H](C(=O)NC[C@H](O)CNc1nc(Cl)c(-c2nnn[n-]2)s1)C1CCC1 ZINC001573692990 948276509 /nfs/dbraw/zinc/27/65/09/948276509.db2.gz RGNKWWXQFQEMAS-APPZFPTMSA-N -1 1 385.881 1.302 20 0 GDADMM C[C@@H](C(=O)NC[C@H](O)CNc1nc(Cl)c(-c2nn[n-]n2)s1)C1CCC1 ZINC001573692990 948276519 /nfs/dbraw/zinc/27/65/19/948276519.db2.gz RGNKWWXQFQEMAS-APPZFPTMSA-N -1 1 385.881 1.302 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCC1)c1cccnc1 ZINC001573695322 948304756 /nfs/dbraw/zinc/30/47/56/948304756.db2.gz GLMHQJLUNVJCJA-LBPRGKRZSA-N -1 1 379.428 1.306 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCC1)c1cccnc1 ZINC001573695322 948304764 /nfs/dbraw/zinc/30/47/64/948304764.db2.gz GLMHQJLUNVJCJA-LBPRGKRZSA-N -1 1 379.428 1.306 20 0 GDADMM O=C(NN1CCCNC1=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826444345 948306594 /nfs/dbraw/zinc/30/65/94/948306594.db2.gz BSAACXVWFWWXMH-UHFFFAOYSA-N -1 1 397.370 1.858 20 0 GDADMM O=C(NN1CCCNC1=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826444345 948306606 /nfs/dbraw/zinc/30/66/06/948306606.db2.gz BSAACXVWFWWXMH-UHFFFAOYSA-N -1 1 397.370 1.858 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCCC1)[C@@H]1CCCO1 ZINC001573696535 948328821 /nfs/dbraw/zinc/32/88/21/948328821.db2.gz RTZSNVAWOZDNKB-STQMWFEESA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCCC1)[C@@H]1CCCO1 ZINC001573696535 948328824 /nfs/dbraw/zinc/32/88/24/948328824.db2.gz RTZSNVAWOZDNKB-STQMWFEESA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCCC1)C(C)(F)F ZINC001573696597 948330527 /nfs/dbraw/zinc/33/05/27/948330527.db2.gz SSQTWISLLHXJCC-SNVBAGLBSA-N -1 1 380.403 1.789 20 0 GDADMM C[C@H](C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCCC1)C(C)(F)F ZINC001573696597 948330532 /nfs/dbraw/zinc/33/05/32/948330532.db2.gz SSQTWISLLHXJCC-SNVBAGLBSA-N -1 1 380.403 1.789 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)c1cccs1 ZINC001573702573 948346675 /nfs/dbraw/zinc/34/66/75/948346675.db2.gz FQIPLSADDZJMGN-NWDGAFQWSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)c1cccs1 ZINC001573702573 948346683 /nfs/dbraw/zinc/34/66/83/948346683.db2.gz FQIPLSADDZJMGN-NWDGAFQWSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)c1ccsc1 ZINC001573703894 948362288 /nfs/dbraw/zinc/36/22/88/948362288.db2.gz NOKLVPPVJBCSOC-DGCLKSJQSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)c1ccsc1 ZINC001573703894 948362296 /nfs/dbraw/zinc/36/22/96/948362296.db2.gz NOKLVPPVJBCSOC-DGCLKSJQSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCCCN1c1nccnc1-c1nnn[n-]1)C1CCC1 ZINC001573704116 948365951 /nfs/dbraw/zinc/36/59/51/948365951.db2.gz PCUQSTAVPSRELZ-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CCCCCN1c1nccnc1-c1nn[n-]n1)C1CCC1 ZINC001573704116 948365960 /nfs/dbraw/zinc/36/59/60/948365960.db2.gz PCUQSTAVPSRELZ-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM O=S(=O)(NC[C@H]1COC2(CCCCC2)O1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826490807 948403463 /nfs/dbraw/zinc/40/34/63/948403463.db2.gz ICXWUDNTLJNSAH-NSHDSACASA-N -1 1 397.432 1.360 20 0 GDADMM O=S(=O)(NC[C@H]1COC2(CCCCC2)O1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826490807 948403469 /nfs/dbraw/zinc/40/34/69/948403469.db2.gz ICXWUDNTLJNSAH-NSHDSACASA-N -1 1 397.432 1.360 20 0 GDADMM C[C@@H](C(=O)NCCC1(CNc2ccc(-c3nnn[n-]3)nn2)CC1)n1cccc1 ZINC001573705616 948403583 /nfs/dbraw/zinc/40/35/83/948403583.db2.gz GKDKBYVIAJRSQR-ZDUSSCGKSA-N -1 1 381.444 1.418 20 0 GDADMM C[C@@H](C(=O)NCCC1(CNc2ccc(-c3nn[n-]n3)nn2)CC1)n1cccc1 ZINC001573705616 948403584 /nfs/dbraw/zinc/40/35/84/948403584.db2.gz GKDKBYVIAJRSQR-ZDUSSCGKSA-N -1 1 381.444 1.418 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)c1cccs1 ZINC001573705753 948407591 /nfs/dbraw/zinc/40/75/91/948407591.db2.gz YHQKWNWNTDEOCV-NWDGAFQWSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)c1cccs1 ZINC001573705753 948407598 /nfs/dbraw/zinc/40/75/98/948407598.db2.gz YHQKWNWNTDEOCV-NWDGAFQWSA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1COCCN1Cc1ccc(-c2nn[n-]n2)s1)C1CCC1 ZINC001573706284 948415481 /nfs/dbraw/zinc/41/54/81/948415481.db2.gz IBNVCGPQQJGPHA-GXTWGEPZSA-N -1 1 390.513 1.681 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CCC1(F)F)C1CC1 ZINC001573706682 948423042 /nfs/dbraw/zinc/42/30/42/948423042.db2.gz KTLIXLPAWNASLS-CMPLNLGQSA-N -1 1 392.414 1.281 20 0 GDADMM C[C@H](C(=O)NC[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)CCC1(F)F)C1CC1 ZINC001573706682 948423046 /nfs/dbraw/zinc/42/30/46/948423046.db2.gz KTLIXLPAWNASLS-CMPLNLGQSA-N -1 1 392.414 1.281 20 0 GDADMM C[C@@H](C(=O)NCCC1(CNc2cnc(-c3nnn[n-]3)cn2)CC1)n1cccc1 ZINC001573708119 948442641 /nfs/dbraw/zinc/44/26/41/948442641.db2.gz RPXUERXXUUPEBK-ZDUSSCGKSA-N -1 1 381.444 1.418 20 0 GDADMM C[C@@H](C(=O)NCCC1(CNc2cnc(-c3nn[n-]n3)cn2)CC1)n1cccc1 ZINC001573708119 948442647 /nfs/dbraw/zinc/44/26/47/948442647.db2.gz RPXUERXXUUPEBK-ZDUSSCGKSA-N -1 1 381.444 1.418 20 0 GDADMM CC(C)[C@@H](CCNC(=O)[C@H](C)c1ccco1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573716940 948503349 /nfs/dbraw/zinc/50/33/49/948503349.db2.gz KNGSNKIRRQJSFC-CHWSQXEVSA-N -1 1 384.444 1.418 20 0 GDADMM C[C@H](C(=O)NCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1)c1ccsc1 ZINC001573720262 948531914 /nfs/dbraw/zinc/53/19/14/948531914.db2.gz QGTYILMMIGUIQT-NSHDSACASA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)NCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1)c1ccsc1 ZINC001573720262 948531922 /nfs/dbraw/zinc/53/19/22/948531922.db2.gz QGTYILMMIGUIQT-NSHDSACASA-N -1 1 384.469 1.607 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1nc(Cl)c(-c2nnn[n-]2)s1)n1cccc1 ZINC001573720982 948536160 /nfs/dbraw/zinc/53/61/60/948536160.db2.gz UFKQWKYUZCRRRC-VIFPVBQESA-N -1 1 380.865 1.592 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1nc(Cl)c(-c2nn[n-]n2)s1)n1cccc1 ZINC001573720982 948536164 /nfs/dbraw/zinc/53/61/64/948536164.db2.gz UFKQWKYUZCRRRC-VIFPVBQESA-N -1 1 380.865 1.592 20 0 GDADMM C[C@H](C(=O)NCCN(C)c1ccnc(-c2nn[n-]n2)n1)c1ccc(Cl)cc1 ZINC001573720973 948536180 /nfs/dbraw/zinc/53/61/80/948536180.db2.gz UCZGGWHTZQRPPV-NSHDSACASA-N -1 1 386.847 1.666 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1nccnc1-c1nnn[n-]1)c1ccc(Cl)s1 ZINC001573721581 948542178 /nfs/dbraw/zinc/54/21/78/948542178.db2.gz YRZNVBWOZSOOCC-SECBINFHSA-N -1 1 392.876 1.728 20 0 GDADMM C[C@@H](C(=O)NCCN(C)c1nccnc1-c1nn[n-]n1)c1ccc(Cl)s1 ZINC001573721581 948542186 /nfs/dbraw/zinc/54/21/86/948542186.db2.gz YRZNVBWOZSOOCC-SECBINFHSA-N -1 1 392.876 1.728 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccsc1 ZINC001573726672 948549096 /nfs/dbraw/zinc/54/90/96/948549096.db2.gz JDGGNVKTZAVPQW-WZRBSPASSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccsc1 ZINC001573726672 948549101 /nfs/dbraw/zinc/54/91/01/948549101.db2.gz JDGGNVKTZAVPQW-WZRBSPASSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001573727376 948553061 /nfs/dbraw/zinc/55/30/61/948553061.db2.gz MSIVVLJSXPILOD-HZSPNIEDSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001573727376 948553069 /nfs/dbraw/zinc/55/30/69/948553069.db2.gz MSIVVLJSXPILOD-HZSPNIEDSA-N -1 1 381.444 1.416 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)C(C)(F)F ZINC001573727964 948557086 /nfs/dbraw/zinc/55/70/86/948557086.db2.gz NXBLCDNYWXQRKN-GARJFASQSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)C(C)(F)F ZINC001573727964 948557093 /nfs/dbraw/zinc/55/70/93/948557093.db2.gz NXBLCDNYWXQRKN-GARJFASQSA-N -1 1 380.403 1.645 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cccnc1 ZINC001573727993 948558112 /nfs/dbraw/zinc/55/81/12/948558112.db2.gz OFEGKDKGMQCVDJ-BZPMIXESSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cccnc1 ZINC001573727993 948558117 /nfs/dbraw/zinc/55/81/17/948558117.db2.gz OFEGKDKGMQCVDJ-BZPMIXESSA-N -1 1 379.428 1.162 20 0 GDADMM C[C@@H](C(=O)NCc1ccc2c(c1)CN(c1cnc(-c3nnn[n-]3)cn1)C2)C1CC1 ZINC001573728359 948562317 /nfs/dbraw/zinc/56/23/17/948562317.db2.gz DRSPGUXTIZIUNN-GFCCVEGCSA-N -1 1 390.451 1.839 20 0 GDADMM C[C@@H](C(=O)NCc1ccc2c(c1)CN(c1cnc(-c3nn[n-]n3)cn1)C2)C1CC1 ZINC001573728359 948562323 /nfs/dbraw/zinc/56/23/23/948562323.db2.gz DRSPGUXTIZIUNN-GFCCVEGCSA-N -1 1 390.451 1.839 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1ccsc1 ZINC001573729702 948571560 /nfs/dbraw/zinc/57/15/60/948571560.db2.gz JDGGNVKTZAVPQW-NQBHXWOUSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1ccsc1 ZINC001573729702 948571569 /nfs/dbraw/zinc/57/15/69/948571569.db2.gz JDGGNVKTZAVPQW-NQBHXWOUSA-N -1 1 384.469 1.829 20 0 GDADMM C[C@@H](C(=O)N[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1)c1c(F)cccc1F ZINC001573732825 948609735 /nfs/dbraw/zinc/60/97/35/948609735.db2.gz YVGIAMWVYWRECT-VHSXEESVSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@@H](C(=O)N[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1)c1c(F)cccc1F ZINC001573732825 948609736 /nfs/dbraw/zinc/60/97/36/948609736.db2.gz YVGIAMWVYWRECT-VHSXEESVSA-N -1 1 388.382 1.655 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ccsc1 ZINC001573736240 948613025 /nfs/dbraw/zinc/61/30/25/948613025.db2.gz KGJRWESUVPQTKR-WCQYABFASA-N -1 1 384.469 1.607 20 0 GDADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1)C(F)(F)F ZINC001573739874 948625337 /nfs/dbraw/zinc/62/53/37/948625337.db2.gz HVQLWVPIANPUOW-OYBPUVFXSA-N -1 1 382.350 1.081 20 0 GDADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1)C(F)(F)F ZINC001573739874 948625344 /nfs/dbraw/zinc/62/53/44/948625344.db2.gz HVQLWVPIANPUOW-OYBPUVFXSA-N -1 1 382.350 1.081 20 0 GDADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1)C1CCCC1 ZINC001573740785 948643194 /nfs/dbraw/zinc/64/31/94/948643194.db2.gz SNJYBXXEAQBDRX-ZCDTZLGTSA-N -1 1 382.472 1.709 20 0 GDADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nn1)C1CCCC1 ZINC001573740785 948643198 /nfs/dbraw/zinc/64/31/98/948643198.db2.gz SNJYBXXEAQBDRX-ZCDTZLGTSA-N -1 1 382.472 1.709 20 0 GDADMM C[C@H](C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1C)c1cccs1 ZINC001573745748 948675000 /nfs/dbraw/zinc/67/50/00/948675000.db2.gz HSZOWLZLAUNUDB-TUAOUCFPSA-N -1 1 384.469 1.605 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)C1CCCC1 ZINC001573751848 948705492 /nfs/dbraw/zinc/70/54/92/948705492.db2.gz FUGYEFDABULYMV-UYHMYPTGSA-N -1 1 382.472 1.709 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)C1CCCC1 ZINC001573751848 948705500 /nfs/dbraw/zinc/70/55/00/948705500.db2.gz FUGYEFDABULYMV-UYHMYPTGSA-N -1 1 382.472 1.709 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)c1cccnc1 ZINC001573752566 948714443 /nfs/dbraw/zinc/71/44/43/948714443.db2.gz OLWUTHMMNNYVIT-AEIGPULVSA-N -1 1 391.439 1.081 20 0 GDADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001573752566 948714452 /nfs/dbraw/zinc/71/44/52/948714452.db2.gz OLWUTHMMNNYVIT-AEIGPULVSA-N -1 1 391.439 1.081 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1)c1ccco1 ZINC001573753428 948718681 /nfs/dbraw/zinc/71/86/81/948718681.db2.gz UXLKVOOUFSUDSN-NDBYEHHHSA-N -1 1 380.412 1.279 20 0 GDADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1)c1ccco1 ZINC001573753428 948718686 /nfs/dbraw/zinc/71/86/86/948718686.db2.gz UXLKVOOUFSUDSN-NDBYEHHHSA-N -1 1 380.412 1.279 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1c(F)cc(F)cc1F ZINC001574678381 948750061 /nfs/dbraw/zinc/75/00/61/948750061.db2.gz DZCHMOFZIBAGBE-QMMMGPOBSA-N -1 1 392.345 1.695 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1c(F)cc(F)cc1F ZINC001574678381 948750073 /nfs/dbraw/zinc/75/00/73/948750073.db2.gz DZCHMOFZIBAGBE-QMMMGPOBSA-N -1 1 392.345 1.695 20 0 GDADMM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cc(C(C)(C)C)on1 ZINC001574678803 948759489 /nfs/dbraw/zinc/75/94/89/948759489.db2.gz IZURNRTVLDODTI-SNVBAGLBSA-N -1 1 385.432 1.563 20 0 GDADMM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cc(C(C)(C)C)on1 ZINC001574678803 948759499 /nfs/dbraw/zinc/75/94/99/948759499.db2.gz IZURNRTVLDODTI-SNVBAGLBSA-N -1 1 385.432 1.563 20 0 GDADMM C[C@@H](C(=O)Nc1c(Cl)n(C)nc1C(F)(F)F)n1cnc(-c2nn[n-]n2)n1 ZINC001573755351 948763673 /nfs/dbraw/zinc/76/36/73/948763673.db2.gz CBSIZHUHGAVQOA-BYPYZUCNSA-N -1 1 390.717 1.064 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ncsc1C1CC1 ZINC001574679307 948772857 /nfs/dbraw/zinc/77/28/57/948772857.db2.gz SKRVQICTIZQTPR-VIFPVBQESA-N -1 1 385.457 1.611 20 0 GDADMM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ncsc1C1CC1 ZINC001574679307 948772869 /nfs/dbraw/zinc/77/28/69/948772869.db2.gz SKRVQICTIZQTPR-VIFPVBQESA-N -1 1 385.457 1.611 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)C1CC2(C1)CCOCC2 ZINC001574679246 948773481 /nfs/dbraw/zinc/77/34/81/948773481.db2.gz RDMIWWRWLAYFOM-GFCCVEGCSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)C1CC2(C1)CCOCC2 ZINC001574679246 948773498 /nfs/dbraw/zinc/77/34/98/948773498.db2.gz RDMIWWRWLAYFOM-GFCCVEGCSA-N -1 1 386.460 1.170 20 0 GDADMM CC(F)(F)CC(=O)N[C@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001575224567 948786912 /nfs/dbraw/zinc/78/69/12/948786912.db2.gz PBTSMGOGSNXHIO-JTQLQIEISA-N -1 1 378.387 1.177 20 0 GDADMM CC(F)(F)CC(=O)N[C@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001575224567 948786922 /nfs/dbraw/zinc/78/69/22/948786922.db2.gz PBTSMGOGSNXHIO-JTQLQIEISA-N -1 1 378.387 1.177 20 0 GDADMM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H](C)c1ccccc1F ZINC001574679614 948790269 /nfs/dbraw/zinc/79/02/69/948790269.db2.gz YTIFRKLUOGNONO-NEPJUHHUSA-N -1 1 384.419 1.906 20 0 GDADMM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)c1ccccc1F ZINC001574679614 948790281 /nfs/dbraw/zinc/79/02/81/948790281.db2.gz YTIFRKLUOGNONO-NEPJUHHUSA-N -1 1 384.419 1.906 20 0 GDADMM CC(C)c1ccccc1C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001574420212 948794340 /nfs/dbraw/zinc/79/43/40/948794340.db2.gz QJGSPWLCGXNLEP-HWWDLCQESA-N -1 1 390.451 1.645 20 0 GDADMM CC(C)c1ccccc1C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001574420212 948794348 /nfs/dbraw/zinc/79/43/48/948794348.db2.gz QJGSPWLCGXNLEP-HWWDLCQESA-N -1 1 390.451 1.645 20 0 GDADMM CC(F)(F)CC(=O)NC1(CNc2ccnc(-c3nn[n-]n3)n2)CCCCC1 ZINC001575224777 948795682 /nfs/dbraw/zinc/79/56/82/948795682.db2.gz REDNZDMGLGUSJA-UHFFFAOYSA-N -1 1 380.403 1.355 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)CC[C@H]21 ZINC001575225714 948810776 /nfs/dbraw/zinc/81/07/76/948810776.db2.gz DOENZEBRGJYUPK-WCQYABFASA-N -1 1 392.414 1.519 20 0 GDADMM CC(F)(F)CC(=O)N1CCC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)CC[C@H]21 ZINC001575225714 948810794 /nfs/dbraw/zinc/81/07/94/948810794.db2.gz DOENZEBRGJYUPK-WCQYABFASA-N -1 1 392.414 1.519 20 0 GDADMM CC(C)c1ccoc1C(=O)NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001574421317 948813334 /nfs/dbraw/zinc/81/33/34/948813334.db2.gz IWJPWEKDOWRJLL-LBPRGKRZSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1ccoc1C(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001574421317 948813352 /nfs/dbraw/zinc/81/33/52/948813352.db2.gz IWJPWEKDOWRJLL-LBPRGKRZSA-N -1 1 382.428 1.772 20 0 GDADMM CC(F)(F)CC(=O)N1CCCC[C@@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001575226514 948816859 /nfs/dbraw/zinc/81/68/59/948816859.db2.gz NAKIETWEKQYHRT-LLVKDONJSA-N -1 1 380.403 1.885 20 0 GDADMM CC(F)(F)CC(=O)N1CCCC[C@@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001575226514 948816877 /nfs/dbraw/zinc/81/68/77/948816877.db2.gz NAKIETWEKQYHRT-LLVKDONJSA-N -1 1 380.403 1.885 20 0 GDADMM CC(F)(F)CC(=O)N1CCCC[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001575226517 948819488 /nfs/dbraw/zinc/81/94/88/948819488.db2.gz NAKIETWEKQYHRT-NSHDSACASA-N -1 1 380.403 1.885 20 0 GDADMM CC(F)(F)CC(=O)N1CCCC[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001575226517 948819505 /nfs/dbraw/zinc/81/95/05/948819505.db2.gz NAKIETWEKQYHRT-NSHDSACASA-N -1 1 380.403 1.885 20 0 GDADMM CC(C)[C@@H](F)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001574081194 948822827 /nfs/dbraw/zinc/82/28/27/948822827.db2.gz QXRHKAUFZOALMH-XJFOESAGSA-N -1 1 388.451 1.514 20 0 GDADMM CC(C)[C@@H](F)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001574081194 948822843 /nfs/dbraw/zinc/82/28/43/948822843.db2.gz QXRHKAUFZOALMH-XJFOESAGSA-N -1 1 388.451 1.514 20 0 GDADMM CC(F)(F)CC(=O)N1CCC(CCNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001575227624 948828983 /nfs/dbraw/zinc/82/89/83/948828983.db2.gz WKULEZHQXDVMBX-UHFFFAOYSA-N -1 1 380.403 1.743 20 0 GDADMM CC(F)(F)CC(=O)N1CCC(CCNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001575227624 948828993 /nfs/dbraw/zinc/82/89/93/948828993.db2.gz WKULEZHQXDVMBX-UHFFFAOYSA-N -1 1 380.403 1.743 20 0 GDADMM CC(C)c1nc(C(=O)NC[C@H](C)N(C)c2cncc(-c3nnn[n-]3)n2)cs1 ZINC001574424077 948838565 /nfs/dbraw/zinc/83/85/65/948838565.db2.gz DUYDVULJYGECIE-JTQLQIEISA-N -1 1 387.473 1.491 20 0 GDADMM CC(C)c1nc(C(=O)NC[C@H](C)N(C)c2cncc(-c3nn[n-]n3)n2)cs1 ZINC001574424077 948838580 /nfs/dbraw/zinc/83/85/80/948838580.db2.gz DUYDVULJYGECIE-JTQLQIEISA-N -1 1 387.473 1.491 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)C[C@H]1CCOC1 ZINC001574684370 948866275 /nfs/dbraw/zinc/86/62/75/948866275.db2.gz DWCZMNDKGKADDD-DTWKUNHWSA-N -1 1 385.881 1.710 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)C[C@H]1CCOC1 ZINC001574684370 948866288 /nfs/dbraw/zinc/86/62/88/948866288.db2.gz DWCZMNDKGKADDD-DTWKUNHWSA-N -1 1 385.881 1.710 20 0 GDADMM C[C@H](CNC(=O)CCCc1ccsc1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574919195 948870197 /nfs/dbraw/zinc/87/01/97/948870197.db2.gz WGQVBXDAQISDHE-GFCCVEGCSA-N -1 1 386.485 1.682 20 0 GDADMM C[C@H](CNC(=O)CCCc1ccsc1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574919195 948870213 /nfs/dbraw/zinc/87/02/13/948870213.db2.gz WGQVBXDAQISDHE-GFCCVEGCSA-N -1 1 386.485 1.682 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001574684558 948872831 /nfs/dbraw/zinc/87/28/31/948872831.db2.gz IJIYKGXWUQKUSN-RBXMUDONSA-N -1 1 383.865 1.176 20 0 GDADMM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001574684558 948872844 /nfs/dbraw/zinc/87/28/44/948872844.db2.gz IJIYKGXWUQKUSN-RBXMUDONSA-N -1 1 383.865 1.176 20 0 GDADMM CC(C)c1nc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2C)cs1 ZINC001574426125 948887375 /nfs/dbraw/zinc/88/73/75/948887375.db2.gz QWISATFWNNNKLD-ZYHUDNBSSA-N -1 1 399.484 1.491 20 0 GDADMM CC(C)c1nc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C)cs1 ZINC001574426125 948887396 /nfs/dbraw/zinc/88/73/96/948887396.db2.gz QWISATFWNNNKLD-ZYHUDNBSSA-N -1 1 399.484 1.491 20 0 GDADMM CC(F)(F)CCC(=O)N1CCCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575235600 948921994 /nfs/dbraw/zinc/92/19/94/948921994.db2.gz QHKCCQLVQHLZRT-LLVKDONJSA-N -1 1 380.403 1.885 20 0 GDADMM CC(F)(F)CCC(=O)N1CCCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575235600 948922008 /nfs/dbraw/zinc/92/20/08/948922008.db2.gz QHKCCQLVQHLZRT-LLVKDONJSA-N -1 1 380.403 1.885 20 0 GDADMM CC(C)c1ncncc1C(=O)N(C)[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001574432583 948934948 /nfs/dbraw/zinc/93/49/48/948934948.db2.gz NQISTXSKAGKBHL-NSHDSACASA-N -1 1 382.432 1.143 20 0 GDADMM CC(C)c1ncncc1C(=O)N(C)[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001574432583 948934956 /nfs/dbraw/zinc/93/49/56/948934956.db2.gz NQISTXSKAGKBHL-NSHDSACASA-N -1 1 382.432 1.143 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001573771202 948936389 /nfs/dbraw/zinc/93/63/89/948936389.db2.gz CYJNPYUQURHYPP-HNNXBMFYSA-N -1 1 392.467 1.720 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001573771202 948936402 /nfs/dbraw/zinc/93/64/02/948936402.db2.gz CYJNPYUQURHYPP-HNNXBMFYSA-N -1 1 392.467 1.720 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)NCC[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574432751 948938178 /nfs/dbraw/zinc/93/81/78/948938178.db2.gz CYYZDFFWALLQSF-NSHDSACASA-N -1 1 384.448 1.134 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)NCC[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574432751 948938192 /nfs/dbraw/zinc/93/81/92/948938192.db2.gz CYYZDFFWALLQSF-NSHDSACASA-N -1 1 384.448 1.134 20 0 GDADMM CC(C)[C@@H]1C[C@H](CC(=O)NCCN(C)c2nccnc2-c2nnn[n-]2)CCO1 ZINC001574089195 948948097 /nfs/dbraw/zinc/94/80/97/948948097.db2.gz DLHNLKDMWXFKTM-KGLIPLIRSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)[C@@H]1C[C@H](CC(=O)NCCN(C)c2nccnc2-c2nn[n-]n2)CCO1 ZINC001574089195 948948108 /nfs/dbraw/zinc/94/81/08/948948108.db2.gz DLHNLKDMWXFKTM-KGLIPLIRSA-N -1 1 388.476 1.050 20 0 GDADMM CC(C)(C(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)c1ccccc1 ZINC001573772040 948950108 /nfs/dbraw/zinc/95/01/08/948950108.db2.gz PFBIISWJKZCQNJ-OAHLLOKOSA-N -1 1 392.467 1.941 20 0 GDADMM CC(C)(C(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)c1ccccc1 ZINC001573772040 948950120 /nfs/dbraw/zinc/95/01/20/948950120.db2.gz PFBIISWJKZCQNJ-OAHLLOKOSA-N -1 1 392.467 1.941 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)NCC[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574433441 948958143 /nfs/dbraw/zinc/95/81/43/948958143.db2.gz NPUMVGFEUISVRG-NSHDSACASA-N -1 1 384.448 1.134 20 0 GDADMM CC(C)c1nn(C)cc1C(=O)NCC[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574433441 948958149 /nfs/dbraw/zinc/95/81/49/948958149.db2.gz NPUMVGFEUISVRG-NSHDSACASA-N -1 1 384.448 1.134 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2)C1CC1 ZINC001573772538 948961671 /nfs/dbraw/zinc/96/16/71/948961671.db2.gz ULHGOFCEJCPDHX-STQMWFEESA-N -1 1 382.472 1.354 20 0 GDADMM CC(C)(C(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CC1)c1ccccc1 ZINC001573772611 948963910 /nfs/dbraw/zinc/96/39/10/948963910.db2.gz WCJWFPXPXLBDRG-OAHLLOKOSA-N -1 1 392.467 1.363 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001575239919 948967726 /nfs/dbraw/zinc/96/77/26/948967726.db2.gz XZOPISGEUZKNPY-QWRGUYRKSA-N -1 1 380.403 1.789 20 0 GDADMM CC(F)(F)CCC(=O)N[C@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001575239919 948967743 /nfs/dbraw/zinc/96/77/43/948967743.db2.gz XZOPISGEUZKNPY-QWRGUYRKSA-N -1 1 380.403 1.789 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C1CCC1 ZINC001573772909 948970630 /nfs/dbraw/zinc/97/06/30/948970630.db2.gz YIEKRZHGKSMAAX-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)C1CCC1 ZINC001573772909 948970640 /nfs/dbraw/zinc/97/06/40/948970640.db2.gz YIEKRZHGKSMAAX-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)NC1CC2(C1)CC(Nc1nccnc1-c1nnn[n-]1)C2 ZINC001574090545 948992009 /nfs/dbraw/zinc/99/20/09/948992009.db2.gz LFJLRTWRRQNUSY-SPKCYCRISA-N -1 1 382.472 1.788 20 0 GDADMM CC(C)[C@@H]1C[C@@H]1C(=O)NC1CC2(C1)CC(Nc1nccnc1-c1nn[n-]n1)C2 ZINC001574090545 948992023 /nfs/dbraw/zinc/99/20/23/948992023.db2.gz LFJLRTWRRQNUSY-SPKCYCRISA-N -1 1 382.472 1.788 20 0 GDADMM C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Cc1ccc(-c2nnn[n-]2)nc1 ZINC001575501746 949010759 /nfs/dbraw/zinc/01/07/59/949010759.db2.gz FGKJAHCTZSRQFY-CYBMUJFWSA-N -1 1 389.423 1.605 20 0 GDADMM C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Cc1ccc(-c2nn[n-]n2)nc1 ZINC001575501746 949010776 /nfs/dbraw/zinc/01/07/76/949010776.db2.gz FGKJAHCTZSRQFY-CYBMUJFWSA-N -1 1 389.423 1.605 20 0 GDADMM CC(C)(C(=O)NC[C@@H](CO)Nc1nc(Cl)c(-c2nnn[n-]2)s1)C1CC1 ZINC001573774989 949025332 /nfs/dbraw/zinc/02/53/32/949025332.db2.gz RASZZRCCYFCGMY-QMMMGPOBSA-N -1 1 385.881 1.302 20 0 GDADMM CC(C)(C(=O)NC[C@@H](CO)Nc1nc(Cl)c(-c2nn[n-]n2)s1)C1CC1 ZINC001573774989 949025337 /nfs/dbraw/zinc/02/53/37/949025337.db2.gz RASZZRCCYFCGMY-QMMMGPOBSA-N -1 1 385.881 1.302 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)c1ncccn1 ZINC001574692660 949038134 /nfs/dbraw/zinc/03/81/34/949038134.db2.gz AFMCZGCBSRQJLO-SSDOTTSWSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)c1ncccn1 ZINC001574692660 949038153 /nfs/dbraw/zinc/03/81/53/949038153.db2.gz AFMCZGCBSRQJLO-SSDOTTSWSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@@H](CN(C)C(=O)C(C)(C)CC(F)(F)F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574692940 949045500 /nfs/dbraw/zinc/04/55/00/949045500.db2.gz DOQRUNHAQITGSG-VIFPVBQESA-N -1 1 386.382 1.894 20 0 GDADMM C[C@@H](CN(C)C(=O)C(C)(C)CC(F)(F)F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574692940 949045522 /nfs/dbraw/zinc/04/55/22/949045522.db2.gz DOQRUNHAQITGSG-VIFPVBQESA-N -1 1 386.382 1.894 20 0 GDADMM CC(C)c1nocc1C(=O)NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001574441133 949051937 /nfs/dbraw/zinc/05/19/37/949051937.db2.gz BZKSVQLPZPQBNV-UHFFFAOYSA-N -1 1 383.416 1.167 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)c1ccnnc1 ZINC001574694737 949090528 /nfs/dbraw/zinc/09/05/28/949090528.db2.gz VUJFVYIRGAFXGX-ZETCQYMHSA-N -1 1 379.837 1.387 20 0 GDADMM C[C@@H](CCNc1snc(Cl)c1-c1nn[n-]n1)NC(=O)c1ccnnc1 ZINC001574694737 949090550 /nfs/dbraw/zinc/09/05/50/949090550.db2.gz VUJFVYIRGAFXGX-ZETCQYMHSA-N -1 1 379.837 1.387 20 0 GDADMM CC(C)[C@]1(C)C[C@H]1C(=O)N1CCC(N(C)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574093052 949093247 /nfs/dbraw/zinc/09/32/47/949093247.db2.gz VXKYSAGPQSRPSY-LIRRHRJNSA-N -1 1 384.488 1.766 20 0 GDADMM CC(C)c1nocc1C(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574443225 949109106 /nfs/dbraw/zinc/10/91/06/949109106.db2.gz WFWFDBSRGMCOFQ-LLVKDONJSA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1nocc1C(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574443225 949109119 /nfs/dbraw/zinc/10/91/19/949109119.db2.gz WFWFDBSRGMCOFQ-LLVKDONJSA-N -1 1 383.416 1.485 20 0 GDADMM C[C@@H](CNC(=O)COCC1CC1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001574930787 949111075 /nfs/dbraw/zinc/11/10/75/949111075.db2.gz MNJBYUYJAVULRP-QMMMGPOBSA-N -1 1 385.881 1.344 20 0 GDADMM C[C@@H](CNC(=O)COCC1CC1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001574930787 949111086 /nfs/dbraw/zinc/11/10/86/949111086.db2.gz MNJBYUYJAVULRP-QMMMGPOBSA-N -1 1 385.881 1.344 20 0 GDADMM CC(C)c1nocc1C(=O)N1C[C@@H](C)[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574443490 949113236 /nfs/dbraw/zinc/11/32/36/949113236.db2.gz ZBGIUVNYWWGOIF-MFKMUULPSA-N -1 1 383.416 1.341 20 0 GDADMM CC(C)c1nocc1C(=O)N1C[C@@H](C)[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574443490 949113246 /nfs/dbraw/zinc/11/32/46/949113246.db2.gz ZBGIUVNYWWGOIF-MFKMUULPSA-N -1 1 383.416 1.341 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)c1cccc2n[nH]cc21 ZINC001574695963 949120946 /nfs/dbraw/zinc/12/09/46/949120946.db2.gz LFIIQDLAYSNNOG-JTQLQIEISA-N -1 1 378.400 1.154 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cccc2n[nH]cc21 ZINC001574695963 949120978 /nfs/dbraw/zinc/12/09/78/949120978.db2.gz LFIIQDLAYSNNOG-JTQLQIEISA-N -1 1 378.400 1.154 20 0 GDADMM CC(C)(C(=O)NCc1ccc(-c2nn[n-]n2)s1)N1C(=O)c2ccccc2C1=O ZINC001573782554 949124068 /nfs/dbraw/zinc/12/40/68/949124068.db2.gz CGVJDMVCMYZWEK-UHFFFAOYSA-N -1 1 396.432 1.619 20 0 GDADMM CC(C)c1ocnc1C(=O)N1C[C@@H](C)[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574446422 949129442 /nfs/dbraw/zinc/12/94/42/949129442.db2.gz PPSVKSSKADEKME-PWSUYJOCSA-N -1 1 383.416 1.341 20 0 GDADMM CC(C)c1ocnc1C(=O)N1C[C@@H](C)[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574446422 949129456 /nfs/dbraw/zinc/12/94/56/949129456.db2.gz PPSVKSSKADEKME-PWSUYJOCSA-N -1 1 383.416 1.341 20 0 GDADMM CC(C)c1ocnc1C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574446423 949129862 /nfs/dbraw/zinc/12/98/62/949129862.db2.gz PPSVKSSKADEKME-ZYHUDNBSSA-N -1 1 383.416 1.341 20 0 GDADMM CC(C)c1ocnc1C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574446423 949129881 /nfs/dbraw/zinc/12/98/81/949129881.db2.gz PPSVKSSKADEKME-ZYHUDNBSSA-N -1 1 383.416 1.341 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574446564 949134236 /nfs/dbraw/zinc/13/42/36/949134236.db2.gz QXKZLTIBCYBEIL-NSHDSACASA-N -1 1 383.416 1.342 20 0 GDADMM CC(C)c1ocnc1C(=O)N1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574446564 949134260 /nfs/dbraw/zinc/13/42/60/949134260.db2.gz QXKZLTIBCYBEIL-NSHDSACASA-N -1 1 383.416 1.342 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001574094445 949136806 /nfs/dbraw/zinc/13/68/06/949136806.db2.gz WCGLCFAPWUJCHQ-BARDWOONSA-N -1 1 382.472 1.519 20 0 GDADMM CC(C)[C@H]1C[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1 ZINC001574094445 949136829 /nfs/dbraw/zinc/13/68/29/949136829.db2.gz WCGLCFAPWUJCHQ-BARDWOONSA-N -1 1 382.472 1.519 20 0 GDADMM CC(C)c1occc1C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574446824 949141384 /nfs/dbraw/zinc/14/13/84/949141384.db2.gz XRJPZFWUEWLVBS-GFCCVEGCSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1occc1C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574446824 949141394 /nfs/dbraw/zinc/14/13/94/949141394.db2.gz XRJPZFWUEWLVBS-GFCCVEGCSA-N -1 1 382.428 1.772 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001574447082 949148945 /nfs/dbraw/zinc/14/89/45/949148945.db2.gz FPNQTNQSJKGKRZ-LLVKDONJSA-N -1 1 383.416 1.389 20 0 GDADMM CC(C)c1ocnc1C(=O)NC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001574447082 949148956 /nfs/dbraw/zinc/14/89/56/949148956.db2.gz FPNQTNQSJKGKRZ-LLVKDONJSA-N -1 1 383.416 1.389 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)CCCC1CCOCC1 ZINC001574697179 949150869 /nfs/dbraw/zinc/15/08/69/949150869.db2.gz ZMFMEIYWGMJOKC-ZDUSSCGKSA-N -1 1 388.476 1.560 20 0 GDADMM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)CCCC1CCOCC1 ZINC001574697179 949150877 /nfs/dbraw/zinc/15/08/77/949150877.db2.gz ZMFMEIYWGMJOKC-ZDUSSCGKSA-N -1 1 388.476 1.560 20 0 GDADMM CC(C)c1ocnc1C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCC1 ZINC001574447292 949153825 /nfs/dbraw/zinc/15/38/25/949153825.db2.gz KCEYKBRLMPBVAG-UHFFFAOYSA-N -1 1 383.416 1.533 20 0 GDADMM CC(C)c1ocnc1C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCC1 ZINC001574447292 949153840 /nfs/dbraw/zinc/15/38/40/949153840.db2.gz KCEYKBRLMPBVAG-UHFFFAOYSA-N -1 1 383.416 1.533 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1)C(F)(F)F ZINC001573786997 949157894 /nfs/dbraw/zinc/15/78/94/949157894.db2.gz ISWSBEZAKCJNTE-YWVKMMECSA-N -1 1 396.377 1.471 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1)C(F)(F)F ZINC001573786997 949157899 /nfs/dbraw/zinc/15/78/99/949157899.db2.gz ISWSBEZAKCJNTE-YWVKMMECSA-N -1 1 396.377 1.471 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cccnc1 ZINC001573787039 949161900 /nfs/dbraw/zinc/16/19/00/949161900.db2.gz KHHDLZRWKRNHRF-JOCQHMNTSA-N -1 1 379.428 1.089 20 0 GDADMM CC(C)(C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cccnc1 ZINC001573787039 949161915 /nfs/dbraw/zinc/16/19/15/949161915.db2.gz KHHDLZRWKRNHRF-JOCQHMNTSA-N -1 1 379.428 1.089 20 0 GDADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)C1(c2ccccc2)CC1 ZINC001575253160 949182223 /nfs/dbraw/zinc/18/22/23/949182223.db2.gz IZOGJWGFMFGMAM-OLZOCXBDSA-N -1 1 378.440 1.116 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H](C)c1ccccc1F)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574698277 949182611 /nfs/dbraw/zinc/18/26/11/949182611.db2.gz IQEUMJIGOBKYJM-NEPJUHHUSA-N -1 1 384.419 1.280 20 0 GDADMM CC(C)c1oncc1C(=O)N(C)CCCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574448389 949189082 /nfs/dbraw/zinc/18/90/82/949189082.db2.gz KHZMDLIXCJJKQI-UHFFFAOYSA-N -1 1 385.432 1.367 20 0 GDADMM CC(C)c1oncc1C(=O)N(C)CCCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574448389 949189087 /nfs/dbraw/zinc/18/90/87/949189087.db2.gz KHZMDLIXCJJKQI-UHFFFAOYSA-N -1 1 385.432 1.367 20 0 GDADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)C1(c2ccccn2)CC1 ZINC001575254080 949193002 /nfs/dbraw/zinc/19/30/02/949193002.db2.gz LLGMVFSTYZITAT-NEPJUHHUSA-N -1 1 379.428 1.089 20 0 GDADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)C1(c2ccccn2)CC1 ZINC001575254080 949192990 /nfs/dbraw/zinc/19/29/90/949192990.db2.gz LLGMVFSTYZITAT-NEPJUHHUSA-N -1 1 379.428 1.089 20 0 GDADMM C[C@@H](CNC(=O)Cc1c(F)cccc1F)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574935342 949195796 /nfs/dbraw/zinc/19/57/96/949195796.db2.gz ALNBDMNSECWMNR-SNVBAGLBSA-N -1 1 388.382 1.342 20 0 GDADMM C[C@@H](CNC(=O)Cc1c(F)cccc1F)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574935342 949195811 /nfs/dbraw/zinc/19/58/11/949195811.db2.gz ALNBDMNSECWMNR-SNVBAGLBSA-N -1 1 388.382 1.342 20 0 GDADMM C[C@@H](CNC(=O)Cc1cc(F)ccc1F)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574935398 949200519 /nfs/dbraw/zinc/20/05/19/949200519.db2.gz BISRBMFNGUYEKB-JTQLQIEISA-N -1 1 388.382 1.119 20 0 GDADMM C[C@@H](CNC(=O)Cc1cc(F)ccc1F)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574935398 949200544 /nfs/dbraw/zinc/20/05/44/949200544.db2.gz BISRBMFNGUYEKB-JTQLQIEISA-N -1 1 388.382 1.119 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(Cl)s1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574935380 949201964 /nfs/dbraw/zinc/20/19/64/949201964.db2.gz BCLDYROKPOQTEF-SECBINFHSA-N -1 1 392.876 1.779 20 0 GDADMM C[C@@H](CNC(=O)Cc1ccc(Cl)s1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574935380 949201983 /nfs/dbraw/zinc/20/19/83/949201983.db2.gz BCLDYROKPOQTEF-SECBINFHSA-N -1 1 392.876 1.779 20 0 GDADMM CC(C)c1oncc1C(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574450271 949205005 /nfs/dbraw/zinc/20/50/05/949205005.db2.gz YIRQRURKCOCRGH-LLVKDONJSA-N -1 1 383.416 1.485 20 0 GDADMM CC(C)c1oncc1C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574450271 949205021 /nfs/dbraw/zinc/20/50/21/949205021.db2.gz YIRQRURKCOCRGH-LLVKDONJSA-N -1 1 383.416 1.485 20 0 GDADMM O=C([O-])c1ccc(C(=O)N2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)cn1 ZINC001595215337 949214272 /nfs/dbraw/zinc/21/42/72/949214272.db2.gz YUOCPCRBCOBNDO-OALUTQOASA-N -1 1 381.432 1.895 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@@H](C)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574451242 949221912 /nfs/dbraw/zinc/22/19/12/949221912.db2.gz HZHUYVKYAAIUJN-ZJUUUORDSA-N -1 1 387.473 1.856 20 0 GDADMM CC(C)c1scnc1C(=O)N[C@@H](C)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574451242 949221935 /nfs/dbraw/zinc/22/19/35/949221935.db2.gz HZHUYVKYAAIUJN-ZJUUUORDSA-N -1 1 387.473 1.856 20 0 GDADMM C[C@H](NC(=O)C1(C2CC2)CC1)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575255131 949226150 /nfs/dbraw/zinc/22/61/50/949226150.db2.gz PNHCRVCWASUZOM-STQMWFEESA-N -1 1 382.472 1.568 20 0 GDADMM C[C@H](NC(=O)C1(C2CC2)CC1)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575255131 949226179 /nfs/dbraw/zinc/22/61/79/949226179.db2.gz PNHCRVCWASUZOM-STQMWFEESA-N -1 1 382.472 1.568 20 0 GDADMM CC1(Nc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)C2(C(F)F)CC2)CC1 ZINC001575854081 949228648 /nfs/dbraw/zinc/22/86/48/949228648.db2.gz ZXPHHALNHDCBJT-UHFFFAOYSA-N -1 1 378.387 1.495 20 0 GDADMM CC1(Nc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)C2(C(F)F)CC2)CC1 ZINC001575854081 949228670 /nfs/dbraw/zinc/22/86/70/949228670.db2.gz ZXPHHALNHDCBJT-UHFFFAOYSA-N -1 1 378.387 1.495 20 0 GDADMM CC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001575854380 949230769 /nfs/dbraw/zinc/23/07/69/949230769.db2.gz TVFFTGHEANNYLL-MGPQQGTHSA-N -1 1 382.472 1.886 20 0 GDADMM CC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001575854380 949230788 /nfs/dbraw/zinc/23/07/88/949230788.db2.gz TVFFTGHEANNYLL-MGPQQGTHSA-N -1 1 382.472 1.886 20 0 GDADMM C[C@H](c1ccccc1F)N1CCC[C@H](Nc2cc(-c3nnn[n-]3)ncn2)C1=O ZINC001575517609 949233827 /nfs/dbraw/zinc/23/38/27/949233827.db2.gz XICJBILFFZEAAN-RISCZKNCSA-N -1 1 382.403 1.960 20 0 GDADMM C[C@H](c1ccccc1F)N1CCC[C@H](Nc2cc(-c3nn[n-]n3)ncn2)C1=O ZINC001575517609 949233833 /nfs/dbraw/zinc/23/38/33/949233833.db2.gz XICJBILFFZEAAN-RISCZKNCSA-N -1 1 382.403 1.960 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1 ZINC001574451701 949239682 /nfs/dbraw/zinc/23/96/82/949239682.db2.gz VADCHRROTVHGGJ-LLVKDONJSA-N -1 1 383.416 1.167 20 0 GDADMM CC(C)c1oncc1C(=O)NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1 ZINC001574451701 949239704 /nfs/dbraw/zinc/23/97/04/949239704.db2.gz VADCHRROTVHGGJ-LLVKDONJSA-N -1 1 383.416 1.167 20 0 GDADMM C[C@H](NC(=O)C1(CCF)CC1)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575256844 949261722 /nfs/dbraw/zinc/26/17/22/949261722.db2.gz XHAKYBBHSWIJJC-STQMWFEESA-N -1 1 388.451 1.518 20 0 GDADMM C[C@H](NC(=O)C1(CCF)CC1)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575256844 949261740 /nfs/dbraw/zinc/26/17/40/949261740.db2.gz XHAKYBBHSWIJJC-STQMWFEESA-N -1 1 388.451 1.518 20 0 GDADMM CC(C)n1cc(C(=O)N2CCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)cn1 ZINC001574452498 949262178 /nfs/dbraw/zinc/26/21/78/949262178.db2.gz LGCZHPNXKZWFDW-CYBMUJFWSA-N -1 1 382.432 1.151 20 0 GDADMM CC(C)n1cc(C(=O)N2CCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)cn1 ZINC001574452498 949262193 /nfs/dbraw/zinc/26/21/93/949262193.db2.gz LGCZHPNXKZWFDW-CYBMUJFWSA-N -1 1 382.432 1.151 20 0 GDADMM C[C@@H]1CCC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001576153018 949268461 /nfs/dbraw/zinc/26/84/61/949268461.db2.gz KZRCCMSWMZBBIR-TUVASFSCSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H]1CCC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576153018 949268468 /nfs/dbraw/zinc/26/84/68/949268468.db2.gz KZRCCMSWMZBBIR-TUVASFSCSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H](NC(=O)C1CC2(C1)CCOCC2)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575257548 949280026 /nfs/dbraw/zinc/28/00/26/949280026.db2.gz AIBZQWJZPZAAAW-NWDGAFQWSA-N -1 1 386.460 1.169 20 0 GDADMM C[C@@H](NC(=O)C1CC2(C1)CCOCC2)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575257548 949280052 /nfs/dbraw/zinc/28/00/52/949280052.db2.gz AIBZQWJZPZAAAW-NWDGAFQWSA-N -1 1 386.460 1.169 20 0 GDADMM CC(C)(C)C(=O)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCCCC1 ZINC001573793056 949283472 /nfs/dbraw/zinc/28/34/72/949283472.db2.gz JJTVPBKXUVFNOV-UHFFFAOYSA-N -1 1 386.460 1.503 20 0 GDADMM CC(C)(C)C(=O)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCCCC1 ZINC001573793056 949283482 /nfs/dbraw/zinc/28/34/82/949283482.db2.gz JJTVPBKXUVFNOV-UHFFFAOYSA-N -1 1 386.460 1.503 20 0 GDADMM C[C@@H](NC(=O)C1C=CC=CC=C1)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575258426 949298726 /nfs/dbraw/zinc/29/87/26/949298726.db2.gz HGEIRFOSBUVSOL-GDBMZVCRSA-N -1 1 392.467 1.676 20 0 GDADMM C[C@@H](NC(=O)C1C=CC=CC=C1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575258426 949298745 /nfs/dbraw/zinc/29/87/45/949298745.db2.gz HGEIRFOSBUVSOL-GDBMZVCRSA-N -1 1 392.467 1.676 20 0 GDADMM C[C@@H]1CCC[C@@H](C(=O)NCC2CCN(c3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001576153935 949305374 /nfs/dbraw/zinc/30/53/74/949305374.db2.gz NVMAZERNQAJVHO-UKRRQHHQSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H]1CCC[C@@H](C(=O)NCC2CCN(c3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001576153935 949305397 /nfs/dbraw/zinc/30/53/97/949305397.db2.gz NVMAZERNQAJVHO-UKRRQHHQSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](CN(C)C(=O)[C@]1(C)CCOC1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574703076 949307626 /nfs/dbraw/zinc/30/76/26/949307626.db2.gz QHINWJXPHXFHAB-XLKFXECMSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](NC(=O)C1=COCCC1)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575260628 949358801 /nfs/dbraw/zinc/35/88/01/949358801.db2.gz WOLMDHDXBQYGOO-OLZOCXBDSA-N -1 1 384.444 1.072 20 0 GDADMM C[C@@H](NC(=O)C1=COCCC1)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575260628 949358821 /nfs/dbraw/zinc/35/88/21/949358821.db2.gz WOLMDHDXBQYGOO-OLZOCXBDSA-N -1 1 384.444 1.072 20 0 GDADMM C[C@H](NC(=O)C1=CCOCC1)[C@H](C)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575260903 949370242 /nfs/dbraw/zinc/37/02/42/949370242.db2.gz YJZKRCVCFDIRDN-YUMQZZPRSA-N -1 1 383.865 1.628 20 0 GDADMM C[C@H](NC(=O)C1=CCOCC1)[C@H](C)Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575260903 949370255 /nfs/dbraw/zinc/37/02/55/949370255.db2.gz YJZKRCVCFDIRDN-YUMQZZPRSA-N -1 1 383.865 1.628 20 0 GDADMM CC1(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)nn2)CC(F)(F)C1 ZINC001575527671 949378637 /nfs/dbraw/zinc/37/86/37/949378637.db2.gz FVSYJXSNTNWEBW-PHIMTYICSA-N -1 1 390.398 1.272 20 0 GDADMM CC1(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)nn2)CC(F)(F)C1 ZINC001575527671 949378660 /nfs/dbraw/zinc/37/86/60/949378660.db2.gz FVSYJXSNTNWEBW-PHIMTYICSA-N -1 1 390.398 1.272 20 0 GDADMM C[C@H](CNC(=O)Cc1cscn1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574945524 949411848 /nfs/dbraw/zinc/41/18/48/949411848.db2.gz LLBTWAFTTCWZTP-ZCFIWIBFSA-N -1 1 384.878 1.592 20 0 GDADMM CC1(C(=O)N2CCC(CNc3nccnc3-c3nnn[n-]3)CC2)CCOCC1 ZINC001575533242 949414340 /nfs/dbraw/zinc/41/43/40/949414340.db2.gz FYAPFDRDDAMPAO-UHFFFAOYSA-N -1 1 386.460 1.124 20 0 GDADMM CC1(C(=O)N2CCC(CNc3nccnc3-c3nn[n-]n3)CC2)CCOCC1 ZINC001575533242 949414351 /nfs/dbraw/zinc/41/43/51/949414351.db2.gz FYAPFDRDDAMPAO-UHFFFAOYSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@@H]1CCC[C@]1(C)C(=O)N1C[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001576155923 949423906 /nfs/dbraw/zinc/42/39/06/949423906.db2.gz WDERUYLMMYVNPG-PXWIGAEESA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@H]1CCC[C@]1(C)C(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1 ZINC001576155923 949423922 /nfs/dbraw/zinc/42/39/22/949423922.db2.gz WDERUYLMMYVNPG-PXWIGAEESA-N -1 1 382.472 1.378 20 0 GDADMM C[C@@]1(C(=O)N2CCC(CCNc3cncc(-c4nnn[n-]4)n3)CC2)CCOC1 ZINC001575534801 949430878 /nfs/dbraw/zinc/43/08/78/949430878.db2.gz PWMVUSYFZXFTLB-GOSISDBHSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@@]1(C(=O)N2CCC(CCNc3cncc(-c4nn[n-]n4)n3)CC2)CCOC1 ZINC001575534801 949430890 /nfs/dbraw/zinc/43/08/90/949430890.db2.gz PWMVUSYFZXFTLB-GOSISDBHSA-N -1 1 386.460 1.124 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1 ZINC001574465151 949433623 /nfs/dbraw/zinc/43/36/23/949433623.db2.gz QDWZBZCLCVKDGZ-RDBSUJKOSA-N -1 1 393.455 1.579 20 0 GDADMM CC(C)n1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[n-]n1 ZINC001574465151 949433636 /nfs/dbraw/zinc/43/36/36/949433636.db2.gz QDWZBZCLCVKDGZ-RDBSUJKOSA-N -1 1 393.455 1.579 20 0 GDADMM CC(C)n1cccc1C(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574465685 949443664 /nfs/dbraw/zinc/44/36/64/949443664.db2.gz VZXRTVRXHSRNJJ-TZMCWYRMSA-N -1 1 381.444 1.612 20 0 GDADMM CC(C)n1cccc1C(=O)N1C[C@@H](C)[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574465685 949443683 /nfs/dbraw/zinc/44/36/83/949443683.db2.gz VZXRTVRXHSRNJJ-TZMCWYRMSA-N -1 1 381.444 1.612 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C(C)(C)C(F)F)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575867748 949444392 /nfs/dbraw/zinc/44/43/92/949444392.db2.gz KBZYAEKCTNXCEN-ZJUUUORDSA-N -1 1 380.403 1.422 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)C(C)(C)C(F)F)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575867748 949444406 /nfs/dbraw/zinc/44/44/06/949444406.db2.gz KBZYAEKCTNXCEN-ZJUUUORDSA-N -1 1 380.403 1.422 20 0 GDADMM C[C@]1(C(=O)N2CC[C@@H](CCNc3ccc(-c4nnn[n-]4)nn3)C2)CCCOC1 ZINC001575535342 949446325 /nfs/dbraw/zinc/44/63/25/949446325.db2.gz VSIWUJNORJTRMY-ACJLOTCBSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@]1(C(=O)N2CC[C@@H](CCNc3ccc(-c4nn[n-]n4)nn3)C2)CCCOC1 ZINC001575535342 949446345 /nfs/dbraw/zinc/44/63/45/949446345.db2.gz VSIWUJNORJTRMY-ACJLOTCBSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@H](NC(=O)CCC1(C)CC1)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575265730 949451158 /nfs/dbraw/zinc/45/11/58/949451158.db2.gz AEUZGHPSNFZJAR-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H](NC(=O)CCC1(C)CC1)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575265730 949451179 /nfs/dbraw/zinc/45/11/79/949451179.db2.gz AEUZGHPSNFZJAR-KBPBESRZSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)CC(=O)N[C@@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C[C@@H]1O ZINC001574117498 949474414 /nfs/dbraw/zinc/47/44/14/949474414.db2.gz VXKNCJXZXGJBBK-BDAKNGLRSA-N -1 1 385.881 1.079 20 0 GDADMM CC(C)CC(=O)N[C@@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C[C@@H]1O ZINC001574117498 949474417 /nfs/dbraw/zinc/47/44/17/949474417.db2.gz VXKNCJXZXGJBBK-BDAKNGLRSA-N -1 1 385.881 1.079 20 0 GDADMM CC1(C(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CCC(F)(F)CC1 ZINC001575536869 949479762 /nfs/dbraw/zinc/47/97/62/949479762.db2.gz OACOEMFAABZDDY-LLVKDONJSA-N -1 1 392.414 1.885 20 0 GDADMM CC1(C(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CCC(F)(F)CC1 ZINC001575536869 949479783 /nfs/dbraw/zinc/47/97/83/949479783.db2.gz OACOEMFAABZDDY-LLVKDONJSA-N -1 1 392.414 1.885 20 0 GDADMM CC(C)n1nccc1C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCC1 ZINC001574470140 949488193 /nfs/dbraw/zinc/48/81/93/949488193.db2.gz MWUPDOSKNRLHFY-UHFFFAOYSA-N -1 1 382.432 1.199 20 0 GDADMM CC(C)n1nccc1C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCC1 ZINC001574470140 949488212 /nfs/dbraw/zinc/48/82/12/949488212.db2.gz MWUPDOSKNRLHFY-UHFFFAOYSA-N -1 1 382.432 1.199 20 0 GDADMM CC(C)CC(=O)NC[C@H]1Cc2ccccc2CN1c1cnc(-c2nnn[n-]2)cn1 ZINC001574118969 949492985 /nfs/dbraw/zinc/49/29/85/949492985.db2.gz HETZXXOCTLWWRA-MRXNPFEDSA-N -1 1 392.467 1.750 20 0 GDADMM CC(C)CC(=O)NC[C@H]1Cc2ccccc2CN1c1cnc(-c2nn[n-]n2)cn1 ZINC001574118969 949493007 /nfs/dbraw/zinc/49/30/07/949493007.db2.gz HETZXXOCTLWWRA-MRXNPFEDSA-N -1 1 392.467 1.750 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1CCCCO1)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574708533 949494240 /nfs/dbraw/zinc/49/42/40/949494240.db2.gz WHIVHUCYCNMXAJ-BDAKNGLRSA-N -1 1 385.881 1.805 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1CCCCO1)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC001574708533 949494253 /nfs/dbraw/zinc/49/42/53/949494253.db2.gz WHIVHUCYCNMXAJ-BDAKNGLRSA-N -1 1 385.881 1.805 20 0 GDADMM CC(C)(C)C(=O)NCc1cccc2c1CCN(c1cnc(-c3nnn[n-]3)cn1)C2 ZINC001573806796 949497416 /nfs/dbraw/zinc/49/74/16/949497416.db2.gz WHIMPJQWXLCCQI-UHFFFAOYSA-N -1 1 392.467 1.882 20 0 GDADMM CC(C)(C)C(=O)NCc1cccc2c1CCN(c1cnc(-c3nn[n-]n3)cn1)C2 ZINC001573806796 949497430 /nfs/dbraw/zinc/49/74/30/949497430.db2.gz WHIMPJQWXLCCQI-UHFFFAOYSA-N -1 1 392.467 1.882 20 0 GDADMM C[C@@H](NC(=O)CC1CCCC1)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575267628 949505378 /nfs/dbraw/zinc/50/53/78/949505378.db2.gz IYXNXQYYPWBDHX-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](NC(=O)CC1CCCC1)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575267628 949505391 /nfs/dbraw/zinc/50/53/91/949505391.db2.gz IYXNXQYYPWBDHX-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1CCC[C@@H]1CC(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCCC1 ZINC001576159037 949509212 /nfs/dbraw/zinc/50/92/12/949509212.db2.gz VYTIKYFPDDQAOZ-UONOGXRCSA-N -1 1 384.488 1.746 20 0 GDADMM CC(C)CC(=O)NC[C@@H]1CN(c2nc(-c3nn[n-]n3)c(Cl)s2)CCO1 ZINC001574121408 949512669 /nfs/dbraw/zinc/51/26/69/949512669.db2.gz QBHMTMZFWFXDEQ-SECBINFHSA-N -1 1 385.881 1.344 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1COc2ccccc21)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574711093 949522613 /nfs/dbraw/zinc/52/26/13/949522613.db2.gz DCBUYROFLFXOJN-AAEUAGOBSA-N -1 1 380.412 1.092 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@H]1COc2ccccc21)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574711093 949522627 /nfs/dbraw/zinc/52/26/27/949522627.db2.gz DCBUYROFLFXOJN-AAEUAGOBSA-N -1 1 380.412 1.092 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2CC(F)(F)C2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576164879 949561106 /nfs/dbraw/zinc/56/11/06/949561106.db2.gz IBNQPIQARMQXCA-MFKMUULPSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2CC(F)(F)C2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576164879 949561131 /nfs/dbraw/zinc/56/11/31/949561131.db2.gz IBNQPIQARMQXCA-MFKMUULPSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@]1(C(=O)N2CCC[C@H](CNc3nccnc3-c3nnn[n-]3)C2)CCCOC1 ZINC001575539882 949562877 /nfs/dbraw/zinc/56/28/77/949562877.db2.gz USFQMDJPGXBCBN-FZKQIMNGSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@@]1(C(=O)N2CCC[C@H](CNc3nccnc3-c3nn[n-]n3)C2)CCCOC1 ZINC001575539882 949562895 /nfs/dbraw/zinc/56/28/95/949562895.db2.gz USFQMDJPGXBCBN-FZKQIMNGSA-N -1 1 386.460 1.124 20 0 GDADMM C[C@H](CC(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)C(F)(F)F ZINC001574475535 949572655 /nfs/dbraw/zinc/57/26/55/949572655.db2.gz BELUELKLZUIFSW-ZJUUUORDSA-N -1 1 384.366 1.282 20 0 GDADMM C[C@@H](NC(=O)CC1CCCC1)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575270165 949575219 /nfs/dbraw/zinc/57/52/19/949575219.db2.gz YIYAIGSEGRTOLO-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@@H](NC(=O)CC1CCCC1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575270165 949575237 /nfs/dbraw/zinc/57/52/37/949575237.db2.gz YIYAIGSEGRTOLO-UKRRQHHQSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)C[C@@H](C(=O)NC[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1)n1ccnc1 ZINC001574125834 949590999 /nfs/dbraw/zinc/59/09/99/949590999.db2.gz SXBVQYWDOHYZPS-OCCSQVGLSA-N -1 1 384.448 1.057 20 0 GDADMM CC(C)CC(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1c1ccccc1 ZINC001574125872 949596287 /nfs/dbraw/zinc/59/62/87/949596287.db2.gz UVJYIDDAIWVNDU-JKSUJKDBSA-N -1 1 392.467 1.791 20 0 GDADMM CC(C)CC(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1c1ccccc1 ZINC001574125872 949596309 /nfs/dbraw/zinc/59/63/09/949596309.db2.gz UVJYIDDAIWVNDU-JKSUJKDBSA-N -1 1 392.467 1.791 20 0 GDADMM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)CCCc1ccccc1 ZINC001575270530 949597140 /nfs/dbraw/zinc/59/71/40/949597140.db2.gz DOGQQVGDFFMXCJ-KGLIPLIRSA-N -1 1 380.456 1.407 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2=COCCC2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576167079 949599034 /nfs/dbraw/zinc/59/90/34/949599034.db2.gz OONRFZMRUDNJQU-DOMZBBRYSA-N -1 1 384.444 1.390 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2=COCCC2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576167079 949599051 /nfs/dbraw/zinc/59/90/51/949599051.db2.gz OONRFZMRUDNJQU-DOMZBBRYSA-N -1 1 384.444 1.390 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1CCc2ccccc2C1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574713156 949599987 /nfs/dbraw/zinc/59/99/87/949599987.db2.gz WBDHPGLWHKGILB-XJKSGUPXSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@@H](CN(C)C(=O)[C@@H]1CCc2ccccc2C1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574713156 949600004 /nfs/dbraw/zinc/60/00/04/949600004.db2.gz WBDHPGLWHKGILB-XJKSGUPXSA-N -1 1 392.467 1.721 20 0 GDADMM C[C@@H](CC(=O)N(C)CCCN(C)c1nccnc1-c1nnn[n-]1)n1cccc1 ZINC001574476593 949612777 /nfs/dbraw/zinc/61/27/77/949612777.db2.gz IPVOAQOGRYSZRS-AWEZNQCLSA-N -1 1 383.460 1.394 20 0 GDADMM C[C@@H](CC(=O)N(C)CCCN(C)c1nccnc1-c1nn[n-]n1)n1cccc1 ZINC001574476593 949612798 /nfs/dbraw/zinc/61/27/98/949612798.db2.gz IPVOAQOGRYSZRS-AWEZNQCLSA-N -1 1 383.460 1.394 20 0 GDADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)CCCc1ccccc1 ZINC001575271341 949616553 /nfs/dbraw/zinc/61/65/53/949616553.db2.gz JSAICWLXRPOYTK-KGLIPLIRSA-N -1 1 380.456 1.985 20 0 GDADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)CCCc1ccccc1 ZINC001575271341 949616567 /nfs/dbraw/zinc/61/65/67/949616567.db2.gz JSAICWLXRPOYTK-KGLIPLIRSA-N -1 1 380.456 1.985 20 0 GDADMM C[C@@H](CC(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1)[C@@H]1CCCO1 ZINC001574476780 949621197 /nfs/dbraw/zinc/62/11/97/949621197.db2.gz JUYURYBKSITMMH-WFASDCNBSA-N -1 1 390.513 1.776 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2CC(F)(F)C2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576168084 949626604 /nfs/dbraw/zinc/62/66/04/949626604.db2.gz SRFXGPLDPQJXIH-PWSUYJOCSA-N -1 1 392.414 1.163 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574957912 949643452 /nfs/dbraw/zinc/64/34/52/949643452.db2.gz CJPGIDCGPQBWOT-VHDGCEQUSA-N -1 1 378.440 1.625 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574957912 949643465 /nfs/dbraw/zinc/64/34/65/949643465.db2.gz CJPGIDCGPQBWOT-VHDGCEQUSA-N -1 1 378.440 1.625 20 0 GDADMM CC(C)CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001574129736 949644016 /nfs/dbraw/zinc/64/40/16/949644016.db2.gz WTLYAEWNOHWBLF-OKILXGFUSA-N -1 1 384.488 1.909 20 0 GDADMM C[C@@H](CNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574957993 949647788 /nfs/dbraw/zinc/64/77/88/949647788.db2.gz KOHOMAMBPBPQQC-CFZJUORYSA-N -1 1 378.440 1.189 20 0 GDADMM C[C@@H]1CCCC[C@@H]1OCC(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001576168808 949650452 /nfs/dbraw/zinc/65/04/52/949650452.db2.gz WDQWNJDHUURAAX-BHPKHCPMSA-N -1 1 386.460 1.311 20 0 GDADMM C[C@@H]1CCCC[C@@H]1OCC(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576168808 949650462 /nfs/dbraw/zinc/65/04/62/949650462.db2.gz WDQWNJDHUURAAX-BHPKHCPMSA-N -1 1 386.460 1.311 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)c1csc(=O)[nH]1 ZINC001573815529 949654076 /nfs/dbraw/zinc/65/40/76/949654076.db2.gz IFSQAPMFBQNXMR-JTQLQIEISA-N -1 1 389.445 1.075 20 0 GDADMM C[C@H](CC(=O)N(C)[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)c1ccco1 ZINC001574477630 949669898 /nfs/dbraw/zinc/66/98/98/949669898.db2.gz SUAQZHKZLGHCPL-OLZOCXBDSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@H](CC(=O)N(C)[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)c1ccco1 ZINC001574477630 949669909 /nfs/dbraw/zinc/66/99/09/949669909.db2.gz SUAQZHKZLGHCPL-OLZOCXBDSA-N -1 1 382.428 1.481 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC2(O)CCC2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576169377 949675073 /nfs/dbraw/zinc/67/50/73/949675073.db2.gz XRBRBDDZZNBJAZ-CHWSQXEVSA-N -1 1 386.460 1.001 20 0 GDADMM C[C@@H]1CCCN(C(=O)CC2(O)CCC2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576169377 949675089 /nfs/dbraw/zinc/67/50/89/949675089.db2.gz XRBRBDDZZNBJAZ-CHWSQXEVSA-N -1 1 386.460 1.001 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001574477811 949677711 /nfs/dbraw/zinc/67/77/11/949677711.db2.gz UVMPXULUFSBTDK-UONOGXRCSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H](CC(=O)N(C)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574477811 949677721 /nfs/dbraw/zinc/67/77/21/949677721.db2.gz UVMPXULUFSBTDK-UONOGXRCSA-N -1 1 381.444 1.147 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C1(F)CCOCC1 ZINC001573816698 949685116 /nfs/dbraw/zinc/68/51/16/949685116.db2.gz USIDVXLVFVLEBU-GFCCVEGCSA-N -1 1 392.439 1.118 20 0 GDADMM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C1(F)CCOCC1 ZINC001573816698 949685135 /nfs/dbraw/zinc/68/51/35/949685135.db2.gz USIDVXLVFVLEBU-GFCCVEGCSA-N -1 1 392.439 1.118 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@@](C)(O)C1CC1 ZINC001573816654 949686237 /nfs/dbraw/zinc/68/62/37/949686237.db2.gz TWDGUSSWVDRTCZ-SCLBCKFNSA-N -1 1 388.476 1.151 20 0 GDADMM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@@](C)(O)C1CC1 ZINC001573816654 949686243 /nfs/dbraw/zinc/68/62/43/949686243.db2.gz TWDGUSSWVDRTCZ-SCLBCKFNSA-N -1 1 388.476 1.151 20 0 GDADMM C[C@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001574477962 949687729 /nfs/dbraw/zinc/68/77/29/949687729.db2.gz TWQDGLUDPOXKJC-YUELXQCFSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@H]1CCCC1(F)F)Nc1nccnc1-c1nnn[n-]1 ZINC001574716455 949693612 /nfs/dbraw/zinc/69/36/12/949693612.db2.gz OUVIAOPRMCJZLC-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CN(C)C(=O)C[C@H]1CCCC1(F)F)Nc1nccnc1-c1nn[n-]n1 ZINC001574716455 949693627 /nfs/dbraw/zinc/69/36/27/949693627.db2.gz OUVIAOPRMCJZLC-WDEREUQCSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574959761 949711738 /nfs/dbraw/zinc/71/17/38/949711738.db2.gz SQXGTAHOXDUEGK-AEGPPILISA-N -1 1 378.440 1.401 20 0 GDADMM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574959761 949711760 /nfs/dbraw/zinc/71/17/60/949711760.db2.gz SQXGTAHOXDUEGK-AEGPPILISA-N -1 1 378.440 1.401 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](N(C)c2cncc(-c3nnn[n-]3)n2)C1)n1cccc1 ZINC001574478763 949717002 /nfs/dbraw/zinc/71/70/02/949717002.db2.gz AIACJOASPQGSHU-UONOGXRCSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@@H](N(C)c2cncc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574478763 949717024 /nfs/dbraw/zinc/71/70/24/949717024.db2.gz AIACJOASPQGSHU-UONOGXRCSA-N -1 1 381.444 1.147 20 0 GDADMM C[C@@H](CC(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1)n1cccc1 ZINC001574478803 949720900 /nfs/dbraw/zinc/72/09/00/949720900.db2.gz ASULXJLALYQKGL-KBPBESRZSA-N -1 1 381.444 1.147 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)Cc1cscn1 ZINC001573818280 949727877 /nfs/dbraw/zinc/72/78/77/949727877.db2.gz JRJCXDIGEAXJMF-LBPRGKRZSA-N -1 1 387.473 1.299 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)Cc1cscn1 ZINC001573818280 949727897 /nfs/dbraw/zinc/72/78/97/949727897.db2.gz JRJCXDIGEAXJMF-LBPRGKRZSA-N -1 1 387.473 1.299 20 0 GDADMM C[C@@H]1CCCC[C@H]1C(=O)NCC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001576170600 949730151 /nfs/dbraw/zinc/73/01/51/949730151.db2.gz MEPPANXQZWVDFS-UKRRQHHQSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H]1CCCC[C@H]1C(=O)NCC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001576170600 949730171 /nfs/dbraw/zinc/73/01/71/949730171.db2.gz MEPPANXQZWVDFS-UKRRQHHQSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@@H]1CCCN(C(=O)COCC2CC2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576170729 949733883 /nfs/dbraw/zinc/73/38/83/949733883.db2.gz NRGFLZRUPBZPRG-IUODEOHRSA-N -1 1 386.460 1.122 20 0 GDADMM C[C@@H]1CCCN(C(=O)COCC2CC2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576170729 949733895 /nfs/dbraw/zinc/73/38/95/949733895.db2.gz NRGFLZRUPBZPRG-IUODEOHRSA-N -1 1 386.460 1.122 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CCc1ccoc1 ZINC001573818711 949740048 /nfs/dbraw/zinc/74/00/48/949740048.db2.gz ONEILIQWNYUXHH-AWEZNQCLSA-N -1 1 384.444 1.825 20 0 GDADMM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CCc1ccoc1 ZINC001573818711 949740063 /nfs/dbraw/zinc/74/00/63/949740063.db2.gz ONEILIQWNYUXHH-AWEZNQCLSA-N -1 1 384.444 1.825 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CCC1(F)F ZINC001573818677 949742164 /nfs/dbraw/zinc/74/21/64/949742164.db2.gz OACMYJHTFHFDLP-GXSJLCMTSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCC1(F)F ZINC001573818677 949742184 /nfs/dbraw/zinc/74/21/84/949742184.db2.gz OACMYJHTFHFDLP-GXSJLCMTSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@]1(C)CCCOC1 ZINC001575559873 949767743 /nfs/dbraw/zinc/76/77/43/949767743.db2.gz YMLCLWIPRMIGBR-XIKOKIGWSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@]1(C)CCCOC1 ZINC001575559873 949767758 /nfs/dbraw/zinc/76/77/58/949767758.db2.gz YMLCLWIPRMIGBR-XIKOKIGWSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@H](C)CC(=O)N1C[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001574137704 949768297 /nfs/dbraw/zinc/76/82/97/949768297.db2.gz WTWQSYOOCSWGRU-RRFJBIMHSA-N -1 1 386.504 1.657 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CCC1(F)F ZINC001573821772 949779752 /nfs/dbraw/zinc/77/97/52/949779752.db2.gz DGVNBUZFPUUWSE-UWVGGRQHSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CCC1(F)F ZINC001573821772 949779772 /nfs/dbraw/zinc/77/97/72/949779772.db2.gz DGVNBUZFPUUWSE-UWVGGRQHSA-N -1 1 380.403 1.645 20 0 GDADMM CC1(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(c2ccnc(-c4nn[n-]n4)n2)C3)CCCC1 ZINC001575560144 949780610 /nfs/dbraw/zinc/78/06/10/949780610.db2.gz KYENMQODQUMXST-MJBXVCDLSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@@H](CN(C)C(=O)CCCc1cccs1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574720559 949795073 /nfs/dbraw/zinc/79/50/73/949795073.db2.gz CLYVQFKHAGBCRR-LBPRGKRZSA-N -1 1 386.485 2.000 20 0 GDADMM C[C@@H](CN(C)C(=O)CCCc1cccs1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574720559 949795082 /nfs/dbraw/zinc/79/50/82/949795082.db2.gz CLYVQFKHAGBCRR-LBPRGKRZSA-N -1 1 386.485 2.000 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2cc(Cl)c[nH]2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575883505 949818663 /nfs/dbraw/zinc/81/86/63/949818663.db2.gz GARIBJVBUWWQHM-ONGXEEELSA-N -1 1 387.835 1.426 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2cc(Cl)c[nH]2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575883505 949818688 /nfs/dbraw/zinc/81/86/88/949818688.db2.gz GARIBJVBUWWQHM-ONGXEEELSA-N -1 1 387.835 1.426 20 0 GDADMM C[C@H]1CCCN(C(=O)CCC(F)F)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576172828 949824290 /nfs/dbraw/zinc/82/42/90/949824290.db2.gz YNQVCDVZZBYJKH-JQWIXIFHSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H]1CCCN(C(=O)CCC(F)F)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576172828 949824315 /nfs/dbraw/zinc/82/43/15/949824315.db2.gz YNQVCDVZZBYJKH-JQWIXIFHSA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNC(=O)c1c(F)cccc1Cl)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574965991 949827499 /nfs/dbraw/zinc/82/74/99/949827499.db2.gz RCDFRYULCCULET-VIFPVBQESA-N -1 1 390.810 1.704 20 0 GDADMM C[C@H]1CCCC[C@H]1C(=O)NCC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001576173387 949841578 /nfs/dbraw/zinc/84/15/78/949841578.db2.gz YGKGQXATODNPHM-DZGCQCFKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H]1CCCC[C@H]1C(=O)NCC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576173387 949841601 /nfs/dbraw/zinc/84/16/01/949841601.db2.gz YGKGQXATODNPHM-DZGCQCFKSA-N -1 1 384.488 1.816 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1 ZINC001574483887 949842266 /nfs/dbraw/zinc/84/22/66/949842266.db2.gz OJMICBYVOVJQBZ-HIFRSBDPSA-N -1 1 378.440 1.863 20 0 GDADMM C[C@H](CC(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1 ZINC001574483887 949842287 /nfs/dbraw/zinc/84/22/87/949842287.db2.gz OJMICBYVOVJQBZ-HIFRSBDPSA-N -1 1 378.440 1.863 20 0 GDADMM CC(C)(C)C12CC(C(=O)N[C@H]3C[C@@H](Nc4cnc(-c5nnn[n-]5)cn4)C3)(C1)C2 ZINC001573823946 949846513 /nfs/dbraw/zinc/84/65/13/949846513.db2.gz BVKOBSQNPZLCPF-ORMMXULVSA-N -1 1 382.472 1.932 20 0 GDADMM CC(C)(C)C12CC(C(=O)N[C@H]3C[C@@H](Nc4cnc(-c5nn[n-]n5)cn4)C3)(C1)C2 ZINC001573823946 949846544 /nfs/dbraw/zinc/84/65/44/949846544.db2.gz BVKOBSQNPZLCPF-ORMMXULVSA-N -1 1 382.472 1.932 20 0 GDADMM CC(C)C[C@@H](C)CC(=O)NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001574141651 949855346 /nfs/dbraw/zinc/85/53/46/949855346.db2.gz UWEJBCHUOVPYPT-TUVASFSCSA-N -1 1 384.488 1.527 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)Cc2cccs2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575886219 949877110 /nfs/dbraw/zinc/87/71/10/949877110.db2.gz XMAKAONMQNJBCQ-YPMHNXCESA-N -1 1 384.469 1.434 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)Cc2cccs2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575886219 949877136 /nfs/dbraw/zinc/87/71/36/949877136.db2.gz XMAKAONMQNJBCQ-YPMHNXCESA-N -1 1 384.469 1.434 20 0 GDADMM C[C@@]1(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CCc2ccccc21 ZINC001575568563 949891055 /nfs/dbraw/zinc/89/10/55/949891055.db2.gz ALOVXXDMTCSAOX-VBKZILBWSA-N -1 1 390.451 1.256 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2cc(Cl)c[nH]2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575886978 949893378 /nfs/dbraw/zinc/89/33/78/949893378.db2.gz NLBGWFCGWAOBTN-KOLCDFICSA-N -1 1 387.835 1.426 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2cc(Cl)c[nH]2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575886978 949893402 /nfs/dbraw/zinc/89/34/02/949893402.db2.gz NLBGWFCGWAOBTN-KOLCDFICSA-N -1 1 387.835 1.426 20 0 GDADMM C[C@H](NC(=O)COc1ccc(F)cc1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575284286 949902722 /nfs/dbraw/zinc/90/27/22/949902722.db2.gz TYLVVKJKZKAKJF-QWRGUYRKSA-N -1 1 386.391 1.180 20 0 GDADMM C[C@H](NC(=O)COc1ccc(F)cc1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575284286 949902744 /nfs/dbraw/zinc/90/27/44/949902744.db2.gz TYLVVKJKZKAKJF-QWRGUYRKSA-N -1 1 386.391 1.180 20 0 GDADMM C[C@H](CC(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C(F)(F)F ZINC001574484810 949903718 /nfs/dbraw/zinc/90/37/18/949903718.db2.gz OWCHORPSCKZYFS-SNVBAGLBSA-N -1 1 384.366 1.284 20 0 GDADMM CC(C)(C)/C=C/C(=O)N1CCC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001573826918 949911462 /nfs/dbraw/zinc/91/14/62/949911462.db2.gz JJKYZKSXWHOVBU-HYLRALAJSA-N -1 1 382.472 1.686 20 0 GDADMM CC(C)(C)/C=C/C(=O)N1CCC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001573826918 949911482 /nfs/dbraw/zinc/91/14/82/949911482.db2.gz JJKYZKSXWHOVBU-HYLRALAJSA-N -1 1 382.472 1.686 20 0 GDADMM CC(C)(C)/C=C\C(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)C[C@H]1O ZINC001573827141 949915461 /nfs/dbraw/zinc/91/54/61/949915461.db2.gz JWZLYPWRIQUSEN-UVSMVFJQSA-N -1 1 397.892 1.245 20 0 GDADMM CC(C)(C)/C=C\C(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)C[C@H]1O ZINC001573827141 949915479 /nfs/dbraw/zinc/91/54/79/949915479.db2.gz JWZLYPWRIQUSEN-UVSMVFJQSA-N -1 1 397.892 1.245 20 0 GDADMM C[C@@H](CC(=O)N[C@H](CNc1ccnc(-c2nn[n-]n2)n1)C1CCCC1)C1CC1 ZINC001574487744 949938440 /nfs/dbraw/zinc/93/84/40/949938440.db2.gz BQMZFRUBUXTTRZ-SWLSCSKDSA-N -1 1 384.488 1.602 20 0 GDADMM C[C@@H]1CCN(C(=O)CCC(F)F)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576180152 949941336 /nfs/dbraw/zinc/94/13/36/949941336.db2.gz CMFHKXGGAOFDDU-GHMZBOCLSA-N -1 1 380.403 1.599 20 0 GDADMM C[C@@H]1CCN(C(=O)CCC(F)F)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576180152 949941357 /nfs/dbraw/zinc/94/13/57/949941357.db2.gz CMFHKXGGAOFDDU-GHMZBOCLSA-N -1 1 380.403 1.599 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574146308 949942025 /nfs/dbraw/zinc/94/20/25/949942025.db2.gz XVNXHBSIEMPAKK-MGPQQGTHSA-N -1 1 388.476 1.557 20 0 GDADMM CC(C)C[C@@H](C)OCCC(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574146308 949942040 /nfs/dbraw/zinc/94/20/40/949942040.db2.gz XVNXHBSIEMPAKK-MGPQQGTHSA-N -1 1 388.476 1.557 20 0 GDADMM C[C@H]1[C@@H](NC(=O)c2cc(Cl)no2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575890421 949950714 /nfs/dbraw/zinc/95/07/14/949950714.db2.gz XNZZUCDBWROURQ-IUCAKERBSA-N -1 1 389.807 1.085 20 0 GDADMM CC(C)(C)/C=C/C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@@]2(C)C1 ZINC001573829291 949952042 /nfs/dbraw/zinc/95/20/42/949952042.db2.gz YDAZEZJFLTYQCM-MARQAQSISA-N -1 1 382.472 1.544 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ccc(Cl)[nH]2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575890882 949968288 /nfs/dbraw/zinc/96/82/88/949968288.db2.gz AWCQTKZVUJGGLC-ZJUUUORDSA-N -1 1 387.835 1.426 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ccc(Cl)[nH]2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575890882 949968306 /nfs/dbraw/zinc/96/83/06/949968306.db2.gz AWCQTKZVUJGGLC-ZJUUUORDSA-N -1 1 387.835 1.426 20 0 GDADMM CC(C)(C)CC(=O)N1CCC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)CC[C@H]21 ZINC001573830001 949970883 /nfs/dbraw/zinc/97/08/83/949970883.db2.gz HECMKEQMQUSACS-DZGCQCFKSA-N -1 1 384.488 1.910 20 0 GDADMM CC(C)(C)CC(=O)N1CCC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CC[C@H]21 ZINC001573830001 949970901 /nfs/dbraw/zinc/97/09/01/949970901.db2.gz HECMKEQMQUSACS-DZGCQCFKSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cscn2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576180974 949979720 /nfs/dbraw/zinc/97/97/20/949979720.db2.gz QUYQLJZXQWFTDK-GWCFXTLKSA-N -1 1 385.457 1.466 20 0 GDADMM C[C@H]1CCCN(C(=O)c2cscn2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576180974 949979732 /nfs/dbraw/zinc/97/97/32/949979732.db2.gz QUYQLJZXQWFTDK-GWCFXTLKSA-N -1 1 385.457 1.466 20 0 GDADMM CC(C)(C)CC(=O)N1CC[C@]2(C1)CCCN(c1nccnc1-c1nnn[n-]1)C2 ZINC001573831086 949989734 /nfs/dbraw/zinc/98/97/34/949989734.db2.gz SNTJSKRZFNPMKU-IBGZPJMESA-N -1 1 384.488 1.912 20 0 GDADMM CC(C)(C)CC(=O)N1CC[C@]2(C1)CCCN(c1nccnc1-c1nn[n-]n1)C2 ZINC001573831086 949989760 /nfs/dbraw/zinc/98/97/60/949989760.db2.gz SNTJSKRZFNPMKU-IBGZPJMESA-N -1 1 384.488 1.912 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ccccc1Cl)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574728469 949992350 /nfs/dbraw/zinc/99/23/50/949992350.db2.gz AZUDWGQRNJYKNJ-LLVKDONJSA-N -1 1 386.847 1.812 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1ccccc1Cl)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574728469 949992374 /nfs/dbraw/zinc/99/23/74/949992374.db2.gz AZUDWGQRNJYKNJ-LLVKDONJSA-N -1 1 386.847 1.812 20 0 GDADMM C[C@H](CC(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)C(F)(F)F ZINC001574490493 949997805 /nfs/dbraw/zinc/99/78/05/949997805.db2.gz TULDITXSXWGCEW-PSASIEDQSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H](CC(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1)C(F)(F)F ZINC001574490493 949997825 /nfs/dbraw/zinc/99/78/25/949997825.db2.gz TULDITXSXWGCEW-PSASIEDQSA-N -1 1 384.366 1.552 20 0 GDADMM C[C@H]1CCN(C(=O)CC(F)(F)F)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576181469 950005187 /nfs/dbraw/zinc/00/51/87/950005187.db2.gz IHUCYCJYWSWJEK-UWVGGRQHSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@H]1CCN(C(=O)CC(F)(F)F)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576181469 950005211 /nfs/dbraw/zinc/00/52/11/950005211.db2.gz IHUCYCJYWSWJEK-UWVGGRQHSA-N -1 1 384.366 1.506 20 0 GDADMM C[C@H]1CCN(C(=O)Cc2ccoc2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576181615 950012247 /nfs/dbraw/zinc/01/22/47/950012247.db2.gz IOFIZRCNLLUQIG-GXTWGEPZSA-N -1 1 382.428 1.389 20 0 GDADMM C[C@H]1CCN(C(=O)Cc2ccoc2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576181615 950012268 /nfs/dbraw/zinc/01/22/68/950012268.db2.gz IOFIZRCNLLUQIG-GXTWGEPZSA-N -1 1 382.428 1.389 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1cc(F)ccc1F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574729076 950015709 /nfs/dbraw/zinc/01/57/09/950015709.db2.gz NDQCFUYRWWJEHG-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H](CN(C)C(=O)Cc1cc(F)ccc1F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574729076 950015721 /nfs/dbraw/zinc/01/57/21/950015721.db2.gz NDQCFUYRWWJEHG-SNVBAGLBSA-N -1 1 388.382 1.436 20 0 GDADMM CC1(C(=O)NC[C@@H](O)CNc2snc(Cl)c2-c2nnn[n-]2)CCCC1 ZINC001575575530 950057563 /nfs/dbraw/zinc/05/75/63/950057563.db2.gz KEVZSQNFPZLKNT-QMMMGPOBSA-N -1 1 385.881 1.446 20 0 GDADMM CC1(C(=O)NC[C@@H](O)CNc2snc(Cl)c2-c2nn[n-]n2)CCCC1 ZINC001575575530 950057586 /nfs/dbraw/zinc/05/75/86/950057586.db2.gz KEVZSQNFPZLKNT-QMMMGPOBSA-N -1 1 385.881 1.446 20 0 GDADMM C[C@@H](CN(C)C(=O)Cc1cccnc1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574731955 950060542 /nfs/dbraw/zinc/06/05/42/950060542.db2.gz YSXNHRPPXFVRSJ-VIFPVBQESA-N -1 1 392.876 1.873 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2cccc(F)c2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575892290 950065226 /nfs/dbraw/zinc/06/52/26/950065226.db2.gz VJZHVSCJMKFRLN-RISCZKNCSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2cccc(F)c2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575892290 950065246 /nfs/dbraw/zinc/06/52/46/950065246.db2.gz VJZHVSCJMKFRLN-RISCZKNCSA-N -1 1 382.403 1.583 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1ccccc1 ZINC001574492334 950079146 /nfs/dbraw/zinc/07/91/46/950079146.db2.gz MCWIBURMTKTSGM-UKRRQHHQSA-N -1 1 378.440 1.545 20 0 GDADMM C[C@H](CC(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1ccccc1 ZINC001574492334 950079168 /nfs/dbraw/zinc/07/91/68/950079168.db2.gz MCWIBURMTKTSGM-UKRRQHHQSA-N -1 1 378.440 1.545 20 0 GDADMM C[C@H](CNC(=O)C[C@H](C)c1ccccc1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574492386 950080927 /nfs/dbraw/zinc/08/09/27/950080927.db2.gz AMYOCWCSDWXSMN-UONOGXRCSA-N -1 1 380.456 1.791 20 0 GDADMM C[C@H]1CCN(C(=O)C2=COCCC2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576183579 950092228 /nfs/dbraw/zinc/09/22/28/950092228.db2.gz QFMILZCGGCRKSD-JSGCOSHPSA-N -1 1 384.444 1.248 20 0 GDADMM C[C@H]1CCN(C(=O)C2=COCCC2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576183579 950092250 /nfs/dbraw/zinc/09/22/50/950092250.db2.gz QFMILZCGGCRKSD-JSGCOSHPSA-N -1 1 384.444 1.248 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccoc2)[C@H]1CCNc1cncc(-c2nnn[n-]2)n1 ZINC001576184023 950114048 /nfs/dbraw/zinc/11/40/48/950114048.db2.gz VEPFGTOFSZXTCZ-DOMZBBRYSA-N -1 1 382.428 1.993 20 0 GDADMM C[C@@H]1CCCN(C(=O)c2ccoc2)[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001576184023 950114065 /nfs/dbraw/zinc/11/40/65/950114065.db2.gz VEPFGTOFSZXTCZ-DOMZBBRYSA-N -1 1 382.428 1.993 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccsc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574733674 950118232 /nfs/dbraw/zinc/11/82/32/950118232.db2.gz FXVFUAPHSKJMDU-KGYLQXTDSA-N -1 1 384.469 1.781 20 0 GDADMM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccsc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574733674 950118244 /nfs/dbraw/zinc/11/82/44/950118244.db2.gz FXVFUAPHSKJMDU-KGYLQXTDSA-N -1 1 384.469 1.781 20 0 GDADMM CC(C)C[C@H](CNc1ccc(-c2nn[nH]n2)cn1)NC(=O)c1ncccc1[O-] ZINC001574152885 950120317 /nfs/dbraw/zinc/12/03/17/950120317.db2.gz LGJVZIBUZOMNEG-CYBMUJFWSA-N -1 1 382.428 1.619 20 0 GDADMM CC(C)(C)CC(C)(C)C(=O)NC[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001573839149 950124218 /nfs/dbraw/zinc/12/42/18/950124218.db2.gz MLIJOWHZWDHKMO-LLVKDONJSA-N -1 1 376.465 1.008 20 0 GDADMM CC(C)(C)CC(C)(C)C(=O)NC[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001573839149 950124232 /nfs/dbraw/zinc/12/42/32/950124232.db2.gz MLIJOWHZWDHKMO-LLVKDONJSA-N -1 1 376.465 1.008 20 0 GDADMM CC1(C(=O)NCC2(Nc3ccnc(-c4nn[n-]n4)n3)CCCCC2)CC=CC1 ZINC001575583026 950136918 /nfs/dbraw/zinc/13/69/18/950136918.db2.gz NXUVYIQWKZGXNE-UHFFFAOYSA-N -1 1 382.472 1.666 20 0 GDADMM CC1(C(=O)NC[C@H]2CCCCN2c2nccnc2-c2nnn[n-]2)CC(F)(F)C1 ZINC001575583205 950143224 /nfs/dbraw/zinc/14/32/24/950143224.db2.gz KNVGMNQFRXVTBK-LLVKDONJSA-N -1 1 392.414 1.567 20 0 GDADMM CC1(C(=O)NC[C@H]2CCCCN2c2nccnc2-c2nn[n-]n2)CC(F)(F)C1 ZINC001575583205 950143240 /nfs/dbraw/zinc/14/32/40/950143240.db2.gz KNVGMNQFRXVTBK-LLVKDONJSA-N -1 1 392.414 1.567 20 0 GDADMM CC1(C(=O)NCC2CC(Nc3ccc(-c4nnn[n-]4)nn3)C2)CC(F)(F)C1 ZINC001575584987 950182129 /nfs/dbraw/zinc/18/21/29/950182129.db2.gz UXMHNHDSWTVLSO-UHFFFAOYSA-N -1 1 378.387 1.399 20 0 GDADMM CC1(C(=O)NCC2CC(Nc3ccc(-c4nn[n-]n4)nn3)C2)CC(F)(F)C1 ZINC001575584987 950182145 /nfs/dbraw/zinc/18/21/45/950182145.db2.gz UXMHNHDSWTVLSO-UHFFFAOYSA-N -1 1 378.387 1.399 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cccs2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576191328 950194674 /nfs/dbraw/zinc/19/46/74/950194674.db2.gz FADWPZPQTCGDFM-NEPJUHHUSA-N -1 1 384.469 1.929 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cccs2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576191328 950194684 /nfs/dbraw/zinc/19/46/84/950194684.db2.gz FADWPZPQTCGDFM-NEPJUHHUSA-N -1 1 384.469 1.929 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573844574 950196434 /nfs/dbraw/zinc/19/64/34/950196434.db2.gz BUUOAGLPYXSIJS-MELADBBJSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573844574 950196447 /nfs/dbraw/zinc/19/64/47/950196447.db2.gz BUUOAGLPYXSIJS-MELADBBJSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)CCCCC(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573845151 950221661 /nfs/dbraw/zinc/22/16/61/950221661.db2.gz SXMAPBXFCIJDPH-OKILXGFUSA-N -1 1 386.504 1.992 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1)c1ccco1 ZINC001574497003 950222314 /nfs/dbraw/zinc/22/23/14/950222314.db2.gz YCIQSODHMYPQTD-DGCLKSJQSA-N -1 1 382.428 1.750 20 0 GDADMM C[C@H](CC(=O)NC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1)c1ccco1 ZINC001574497003 950222329 /nfs/dbraw/zinc/22/23/29/950222329.db2.gz YCIQSODHMYPQTD-DGCLKSJQSA-N -1 1 382.428 1.750 20 0 GDADMM CC1(C(=O)NCC2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)CC(F)(F)C1 ZINC001575587178 950227110 /nfs/dbraw/zinc/22/71/10/950227110.db2.gz LYHCEPHVOJYKTE-UHFFFAOYSA-N -1 1 392.414 1.425 20 0 GDADMM CC1(C(=O)NCC2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)CC(F)(F)C1 ZINC001575587178 950227129 /nfs/dbraw/zinc/22/71/29/950227129.db2.gz LYHCEPHVOJYKTE-UHFFFAOYSA-N -1 1 392.414 1.425 20 0 GDADMM C[C@@H](CC(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)s2)C1)c1cnn(C)c1 ZINC001574497287 950227853 /nfs/dbraw/zinc/22/78/53/950227853.db2.gz ZBYGEAKYRAFRNR-NSHDSACASA-N -1 1 386.485 1.156 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCCN1c1ccc(-c2nn[nH]n2)cn1 ZINC001575902268 950255575 /nfs/dbraw/zinc/25/55/75/950255575.db2.gz UCMXSILZUVUNLF-YPMHNXCESA-N -1 1 380.412 1.150 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CC[C@@H]1CCOC1 ZINC001574157902 950258333 /nfs/dbraw/zinc/25/83/33/950258333.db2.gz KVRQORJAUIUOHM-ZIAGYGMSSA-N -1 1 388.476 1.416 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CC[C@@H]1CCOC1 ZINC001574157902 950258350 /nfs/dbraw/zinc/25/83/50/950258350.db2.gz KVRQORJAUIUOHM-ZIAGYGMSSA-N -1 1 388.476 1.416 20 0 GDADMM C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCCN1c1ccc(-c2nn[nH]n2)nc1 ZINC001575902504 950263746 /nfs/dbraw/zinc/26/37/46/950263746.db2.gz VVJWARCDEYKWBM-YPMHNXCESA-N -1 1 380.412 1.150 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCc1ccon1 ZINC001574158535 950281820 /nfs/dbraw/zinc/28/18/20/950281820.db2.gz CDVWHBFWFAQJRY-CYBMUJFWSA-N -1 1 385.432 1.220 20 0 GDADMM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCc1ccon1 ZINC001574158535 950281842 /nfs/dbraw/zinc/28/18/42/950281842.db2.gz CDVWHBFWFAQJRY-CYBMUJFWSA-N -1 1 385.432 1.220 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cncs2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576193306 950291271 /nfs/dbraw/zinc/29/12/71/950291271.db2.gz SLQAMUZHGJLVKF-MNOVXSKESA-N -1 1 385.457 1.324 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cncs2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576193306 950291289 /nfs/dbraw/zinc/29/12/89/950291289.db2.gz SLQAMUZHGJLVKF-MNOVXSKESA-N -1 1 385.457 1.324 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H](C)n1cccn1 ZINC001574158792 950292033 /nfs/dbraw/zinc/29/20/33/950292033.db2.gz SSJCRTNONFQAHH-CHWSQXEVSA-N -1 1 384.448 1.057 20 0 GDADMM CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H](C)n1cccn1 ZINC001574158792 950292051 /nfs/dbraw/zinc/29/20/51/950292051.db2.gz SSJCRTNONFQAHH-CHWSQXEVSA-N -1 1 384.448 1.057 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H](C)C(C)(F)F ZINC001574158902 950298459 /nfs/dbraw/zinc/29/84/59/950298459.db2.gz FCCUWESOTSHVOQ-MNOVXSKESA-N -1 1 382.419 1.891 20 0 GDADMM CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)C(C)(F)F ZINC001574158902 950298477 /nfs/dbraw/zinc/29/84/77/950298477.db2.gz FCCUWESOTSHVOQ-MNOVXSKESA-N -1 1 382.419 1.891 20 0 GDADMM CC1(C(=O)NC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CCC2(F)F)CCC1 ZINC001575592882 950301791 /nfs/dbraw/zinc/30/17/91/950301791.db2.gz CYXWYSMIANEKMA-NSHDSACASA-N -1 1 392.414 1.425 20 0 GDADMM CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)NCc1ccnc(-c2nnn[n-]2)c1 ZINC001573853429 950322554 /nfs/dbraw/zinc/32/25/54/950322554.db2.gz OVKJLOUMLUUAJW-CQSZACIVSA-N -1 1 387.444 1.668 20 0 GDADMM CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)NCc1ccnc(-c2nn[n-]n2)c1 ZINC001573853429 950322580 /nfs/dbraw/zinc/32/25/80/950322580.db2.gz OVKJLOUMLUUAJW-CQSZACIVSA-N -1 1 387.444 1.668 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cscn2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576193945 950323351 /nfs/dbraw/zinc/32/33/51/950323351.db2.gz WSLALRSSCNICJQ-GHMZBOCLSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@@H]1CCN(C(=O)c2cscn2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576193945 950323368 /nfs/dbraw/zinc/32/33/68/950323368.db2.gz WSLALRSSCNICJQ-GHMZBOCLSA-N -1 1 385.457 1.324 20 0 GDADMM C[C@@H]1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C[C@@H]1C(=O)OC(C)(C)C ZINC001576194317 950336204 /nfs/dbraw/zinc/33/62/04/950336204.db2.gz YTJZEMZDABMTFW-MNOVXSKESA-N -1 1 390.448 1.432 20 0 GDADMM C[C@@H]1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C[C@@H]1C(=O)OC(C)(C)C ZINC001576194317 950336223 /nfs/dbraw/zinc/33/62/23/950336223.db2.gz YTJZEMZDABMTFW-MNOVXSKESA-N -1 1 390.448 1.432 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CCC1(F)F ZINC001574162463 950381191 /nfs/dbraw/zinc/38/11/91/950381191.db2.gz BAULPYLCUUJLMU-WDEREUQCSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CCC1(F)F ZINC001574162463 950381203 /nfs/dbraw/zinc/38/12/03/950381203.db2.gz BAULPYLCUUJLMU-WDEREUQCSA-N -1 1 380.403 1.645 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H](C)n1cccc1 ZINC001574162500 950387040 /nfs/dbraw/zinc/38/70/40/950387040.db2.gz BYBIPPIDMYFQDW-UONOGXRCSA-N -1 1 383.460 1.662 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H](C)n1cccc1 ZINC001574162500 950387058 /nfs/dbraw/zinc/38/70/58/950387058.db2.gz BYBIPPIDMYFQDW-UONOGXRCSA-N -1 1 383.460 1.662 20 0 GDADMM CC1(C(=O)NC[C@H]2Cc3ccccc3CN2c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575596886 950389322 /nfs/dbraw/zinc/38/93/22/950389322.db2.gz VWUNYMONQKEZPI-OAHLLOKOSA-N -1 1 390.451 1.504 20 0 GDADMM C[C@]1(C(=O)NCCC2(CNc3ccc(-c4nnn[n-]4)nn3)CC2)CCCOC1 ZINC001575597219 950403214 /nfs/dbraw/zinc/40/32/14/950403214.db2.gz ZBQXOKZBRRFTCL-KRWDZBQOSA-N -1 1 386.460 1.172 20 0 GDADMM C[C@]1(C(=O)NCCC2(CNc3ccc(-c4nn[n-]n4)nn3)CC2)CCCOC1 ZINC001575597219 950403231 /nfs/dbraw/zinc/40/32/31/950403231.db2.gz ZBQXOKZBRRFTCL-KRWDZBQOSA-N -1 1 386.460 1.172 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1ccccc1 ZINC001574503487 950414393 /nfs/dbraw/zinc/41/43/93/950414393.db2.gz XDLGOWFPZDUXSK-HUUCEWRRSA-N -1 1 392.467 1.793 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)c1ccccc1 ZINC001574503487 950414407 /nfs/dbraw/zinc/41/44/07/950414407.db2.gz XDLGOWFPZDUXSK-HUUCEWRRSA-N -1 1 392.467 1.793 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CCc1ccco1 ZINC001574163133 950418479 /nfs/dbraw/zinc/41/84/79/950418479.db2.gz PWYPTHCEJKNVJD-CYBMUJFWSA-N -1 1 384.444 1.825 20 0 GDADMM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CCc1ccco1 ZINC001574163133 950418495 /nfs/dbraw/zinc/41/84/95/950418495.db2.gz PWYPTHCEJKNVJD-CYBMUJFWSA-N -1 1 384.444 1.825 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc(F)c(F)cc1F)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574750424 950422911 /nfs/dbraw/zinc/42/29/11/950422911.db2.gz ADRVYCKBJCXECD-QMMMGPOBSA-N -1 1 392.345 1.647 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cc(F)c(F)cc1F)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574750424 950422917 /nfs/dbraw/zinc/42/29/17/950422917.db2.gz ADRVYCKBJCXECD-QMMMGPOBSA-N -1 1 392.345 1.647 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc(Cl)cn1C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574750539 950432100 /nfs/dbraw/zinc/43/21/00/950432100.db2.gz CGMTZKXMDMRFRC-SECBINFHSA-N -1 1 375.824 1.221 20 0 GDADMM C[C@H](CN(C)C(=O)c1cc(Cl)cn1C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574750539 950432114 /nfs/dbraw/zinc/43/21/14/950432114.db2.gz CGMTZKXMDMRFRC-SECBINFHSA-N -1 1 375.824 1.221 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)COC(C)(C)C ZINC001574163754 950433418 /nfs/dbraw/zinc/43/34/18/950433418.db2.gz XJMCBPDIJRFFEM-LBPRGKRZSA-N -1 1 376.465 1.415 20 0 GDADMM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)COC(C)(C)C ZINC001574163754 950433420 /nfs/dbraw/zinc/43/34/20/950433420.db2.gz XJMCBPDIJRFFEM-LBPRGKRZSA-N -1 1 376.465 1.415 20 0 GDADMM CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(c1ncncc1-c1nn[n-]n1)C2 ZINC001573861312 950445905 /nfs/dbraw/zinc/44/59/05/950445905.db2.gz XZEUXIIQSSUKOW-SGTLLEGYSA-N -1 1 386.460 1.788 20 0 GDADMM CC(C)CC1(C(=O)NC[C@H](O)CNc2nccnc2-c2nnn[n-]2)CCCC1 ZINC001574165537 950450097 /nfs/dbraw/zinc/45/00/97/950450097.db2.gz GQCULVCVLCEUQJ-CYBMUJFWSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)CC1(C(=O)NC[C@H](O)CNc2nccnc2-c2nn[n-]n2)CCCC1 ZINC001574165537 950450108 /nfs/dbraw/zinc/45/01/08/950450108.db2.gz GQCULVCVLCEUQJ-CYBMUJFWSA-N -1 1 388.476 1.152 20 0 GDADMM CC(C)CC1(C(=O)NC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C2CC2)CCC1 ZINC001574166677 950470690 /nfs/dbraw/zinc/47/06/90/950470690.db2.gz VOFIFVSTFLVDHS-CQSZACIVSA-N -1 1 384.488 1.602 20 0 GDADMM CC(C)CC1(C(=O)N[C@@H]2[C@H]3CN(c4ccnc(-c5nn[n-]n5)n4)C[C@H]32)CCC1 ZINC001574167923 950497414 /nfs/dbraw/zinc/49/74/14/950497414.db2.gz LETWEPZMTZLAPZ-NHAGDIPZSA-N -1 1 382.472 1.424 20 0 GDADMM C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccco1 ZINC001574509230 950501416 /nfs/dbraw/zinc/50/14/16/950501416.db2.gz TZIINESESDMTHQ-JHJVBQTASA-N -1 1 382.428 1.172 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)Cc1cccc(F)c1 ZINC001575915374 950510309 /nfs/dbraw/zinc/51/03/09/950510309.db2.gz MVUBDIQQJSHWSY-RISCZKNCSA-N -1 1 382.403 1.440 20 0 GDADMM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)Cc1cccc(F)c1 ZINC001575915374 950510325 /nfs/dbraw/zinc/51/03/25/950510325.db2.gz MVUBDIQQJSHWSY-RISCZKNCSA-N -1 1 382.403 1.440 20 0 GDADMM CC(C)(C)OCC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC001573866939 950519333 /nfs/dbraw/zinc/51/93/33/950519333.db2.gz OBSYZXBXDBPKGY-UHFFFAOYSA-N -1 1 390.463 1.855 20 0 GDADMM C[C@H](CNC(=O)c1cc(C(C)(C)C)on1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574996675 950530935 /nfs/dbraw/zinc/53/09/35/950530935.db2.gz OBXOALCPMLLGNR-SNVBAGLBSA-N -1 1 385.432 1.197 20 0 GDADMM C[C@H](CNC(=O)c1cc(C(C)(C)C)on1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574996675 950530956 /nfs/dbraw/zinc/53/09/56/950530956.db2.gz OBXOALCPMLLGNR-SNVBAGLBSA-N -1 1 385.432 1.197 20 0 GDADMM CC1(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@H]32)CCCCCC1 ZINC001575614485 950533226 /nfs/dbraw/zinc/53/32/26/950533226.db2.gz FGGIMBMYPXDWEJ-VIKVFOODSA-N -1 1 382.472 1.568 20 0 GDADMM CC1(C(=O)N[C@@H]2[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@H]32)CCCCCC1 ZINC001575614485 950533241 /nfs/dbraw/zinc/53/32/41/950533241.db2.gz FGGIMBMYPXDWEJ-VIKVFOODSA-N -1 1 382.472 1.568 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1)n1cccc1 ZINC001574510814 950547601 /nfs/dbraw/zinc/54/76/01/950547601.db2.gz ASAUBVRJXHIVDG-RRFJBIMHSA-N -1 1 395.471 1.371 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc2c(c1)CCO2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574753888 950549690 /nfs/dbraw/zinc/54/96/90/950549690.db2.gz VAYMFQWSPUORBC-LLVKDONJSA-N -1 1 380.412 1.164 20 0 GDADMM C[C@H](CN(C)C(=O)c1ccc2c(c1)CCO2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574753888 950549700 /nfs/dbraw/zinc/54/97/00/950549700.db2.gz VAYMFQWSPUORBC-LLVKDONJSA-N -1 1 380.412 1.164 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)NC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575615570 950566700 /nfs/dbraw/zinc/56/67/00/950566700.db2.gz BKKWTYNNGHLUMG-GFCCVEGCSA-N -1 1 384.488 1.672 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)NC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575615570 950566710 /nfs/dbraw/zinc/56/67/10/950566710.db2.gz BKKWTYNNGHLUMG-GFCCVEGCSA-N -1 1 384.488 1.672 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C)n1cccc1 ZINC001574511734 950568693 /nfs/dbraw/zinc/56/86/93/950568693.db2.gz SDKMZDSBTNHIAS-VNHYZAJKSA-N -1 1 381.444 1.050 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1C)n1cccc1 ZINC001574511734 950568709 /nfs/dbraw/zinc/56/87/09/950568709.db2.gz SDKMZDSBTNHIAS-VNHYZAJKSA-N -1 1 381.444 1.050 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575616618 950590759 /nfs/dbraw/zinc/59/07/59/950590759.db2.gz SMBFNYNOMFTWIN-GFCCVEGCSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C(C)(C)C1(C)C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575616618 950590775 /nfs/dbraw/zinc/59/07/75/950590775.db2.gz SMBFNYNOMFTWIN-GFCCVEGCSA-N -1 1 384.488 1.814 20 0 GDADMM CC1(C)C(C(=O)NCC[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1(C)C ZINC001575617267 950601211 /nfs/dbraw/zinc/60/12/11/950601211.db2.gz ZFYSPYBYSSBOCG-LBPRGKRZSA-N -1 1 384.488 1.672 20 0 GDADMM CC(C)CCC(=O)N1CCC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)CC[C@@H]21 ZINC001574173720 950602437 /nfs/dbraw/zinc/60/24/37/950602437.db2.gz MCYXKNPTRFPIME-GJZGRUSLSA-N -1 1 384.488 1.910 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)ccc1Cl)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575000291 950603016 /nfs/dbraw/zinc/60/30/16/950603016.db2.gz CFWMMZOYLHHEAS-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)ccc1Cl)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575000291 950603027 /nfs/dbraw/zinc/60/30/27/950603027.db2.gz CFWMMZOYLHHEAS-MRVPVSSYSA-N -1 1 376.783 1.680 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C)c1ccccc1 ZINC001574513548 950608912 /nfs/dbraw/zinc/60/89/12/950608912.db2.gz SQQMCZOIXYOBHO-FMKPAKJESA-N -1 1 392.467 1.934 20 0 GDADMM C[C@H](CC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H]1C)c1ccccc1 ZINC001574513548 950608927 /nfs/dbraw/zinc/60/89/27/950608927.db2.gz SQQMCZOIXYOBHO-FMKPAKJESA-N -1 1 392.467 1.934 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1scnc1Cl ZINC001575919340 950611034 /nfs/dbraw/zinc/61/10/34/950611034.db2.gz GSPRZBVYMCNJES-YUMQZZPRSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1scnc1Cl ZINC001575919340 950611052 /nfs/dbraw/zinc/61/10/52/950611052.db2.gz GSPRZBVYMCNJES-YUMQZZPRSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ccoc1C1CC1 ZINC001575919621 950619445 /nfs/dbraw/zinc/61/94/45/950619445.db2.gz IMOOZHNBJUMQHB-GXFFZTMASA-N -1 1 380.412 1.842 20 0 GDADMM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ccoc1C1CC1 ZINC001575919621 950619460 /nfs/dbraw/zinc/61/94/60/950619460.db2.gz IMOOZHNBJUMQHB-GXFFZTMASA-N -1 1 380.412 1.842 20 0 GDADMM CC1(C)C(C(=O)N2CCC[C@H](CNc3nccnc3-c3nnn[n-]3)C2)C1(C)C ZINC001575620359 950630505 /nfs/dbraw/zinc/63/05/05/950630505.db2.gz XBQUBOXRKJTUEE-GFCCVEGCSA-N -1 1 384.488 1.989 20 0 GDADMM CC1(C)C(C(=O)N2CCC[C@H](CNc3nccnc3-c3nn[n-]n3)C2)C1(C)C ZINC001575620359 950630528 /nfs/dbraw/zinc/63/05/28/950630528.db2.gz XBQUBOXRKJTUEE-GFCCVEGCSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)cc(Cl)c1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575001467 950633420 /nfs/dbraw/zinc/63/34/20/950633420.db2.gz KZAYIRNVLDWGII-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@H](CNC(=O)c1cc(F)cc(Cl)c1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575001467 950633428 /nfs/dbraw/zinc/63/34/28/950633428.db2.gz KZAYIRNVLDWGII-VIFPVBQESA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)CC(C)(C)C ZINC001574516324 950637039 /nfs/dbraw/zinc/63/70/39/950637039.db2.gz HWLSQWPPWJPAII-APNQJHFZSA-N -1 1 384.488 1.670 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)CC(C)(C)C ZINC001574516324 950637053 /nfs/dbraw/zinc/63/70/53/950637053.db2.gz HWLSQWPPWJPAII-APNQJHFZSA-N -1 1 384.488 1.670 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)ccc1Cl)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575001872 950645770 /nfs/dbraw/zinc/64/57/70/950645770.db2.gz NUBNNUXRKPPTJW-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM C[C@@H](CNC(=O)c1cc(F)ccc1Cl)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575001872 950645791 /nfs/dbraw/zinc/64/57/91/950645791.db2.gz NUBNNUXRKPPTJW-SECBINFHSA-N -1 1 390.810 1.927 20 0 GDADMM CCN1CCN(c2ccc(CNC(=O)N3C[C@H](C(=O)[O-])C[C@H](C)C3)cn2)CC1 ZINC001589744230 950645928 /nfs/dbraw/zinc/64/59/28/950645928.db2.gz IWXCLQNMPNIZBM-DOTOQJQBSA-N -1 1 389.500 1.476 20 0 GDADMM CC(C)n1cccc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)[C@H]1C ZINC001575922127 950646704 /nfs/dbraw/zinc/64/67/04/950646704.db2.gz OUFRFVYSZUCTCI-CHWSQXEVSA-N -1 1 381.444 1.176 20 0 GDADMM C[C@H](CN(C)C(=O)c1cccc2c1OCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574759907 950647048 /nfs/dbraw/zinc/64/70/48/950647048.db2.gz PXCQTJKNQLMVLX-LLVKDONJSA-N -1 1 380.412 1.164 20 0 GDADMM C[C@H](CN(C)C(=O)c1cccc2c1OCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574759907 950647057 /nfs/dbraw/zinc/64/70/57/950647057.db2.gz PXCQTJKNQLMVLX-LLVKDONJSA-N -1 1 380.412 1.164 20 0 GDADMM C[C@H](CN(C)C(=O)c1cccc(F)c1Cl)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574759898 950648580 /nfs/dbraw/zinc/64/85/80/950648580.db2.gz PVTMMYQOMCEHHS-SECBINFHSA-N -1 1 390.810 1.444 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1ccccc1 ZINC001574518262 950652267 /nfs/dbraw/zinc/65/22/67/950652267.db2.gz MZJPBMWSQIWTPM-YUELXQCFSA-N -1 1 378.440 1.910 20 0 GDADMM C[C@H](CC(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001574518262 950652283 /nfs/dbraw/zinc/65/22/83/950652283.db2.gz MZJPBMWSQIWTPM-YUELXQCFSA-N -1 1 378.440 1.910 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)cs1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575002743 950667677 /nfs/dbraw/zinc/66/76/77/950667677.db2.gz WJHTVFPVVYCKLB-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@H](CNC(=O)c1cc(Cl)cs1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001575002743 950667698 /nfs/dbraw/zinc/66/76/98/950667698.db2.gz WJHTVFPVVYCKLB-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM CC(C)(C)Oc1ccccc1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001573876241 950668661 /nfs/dbraw/zinc/66/86/61/950668661.db2.gz HADCHNGXLUPIFT-UHFFFAOYSA-N -1 1 388.453 1.918 20 0 GDADMM CC(C)(C)Oc1ccccc1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001573876241 950668676 /nfs/dbraw/zinc/66/86/76/950668676.db2.gz HADCHNGXLUPIFT-UHFFFAOYSA-N -1 1 388.453 1.918 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccc2c(c1)CCC2 ZINC001575924250 950671609 /nfs/dbraw/zinc/67/16/09/950671609.db2.gz FBMNFRPFKOQDQT-WBMJQRKESA-N -1 1 390.451 1.861 20 0 GDADMM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccc2c(c1)CCC2 ZINC001575924250 950671623 /nfs/dbraw/zinc/67/16/23/950671623.db2.gz FBMNFRPFKOQDQT-WBMJQRKESA-N -1 1 390.451 1.861 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccc2c(c1)CCC2 ZINC001575924228 950672772 /nfs/dbraw/zinc/67/27/72/950672772.db2.gz FBMNFRPFKOQDQT-BLLLJJGKSA-N -1 1 390.451 1.861 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccc2c(c1)CCC2 ZINC001575924228 950672786 /nfs/dbraw/zinc/67/27/86/950672786.db2.gz FBMNFRPFKOQDQT-BLLLJJGKSA-N -1 1 390.451 1.861 20 0 GDADMM C[C@@H](CN(C)C(=O)c1cccn1C)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574760709 950675103 /nfs/dbraw/zinc/67/51/03/950675103.db2.gz YIRYYSWXEYHECR-QMMMGPOBSA-N -1 1 380.865 1.888 20 0 GDADMM CC(C)n1ccc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H]2C)n1 ZINC001575925068 950681006 /nfs/dbraw/zinc/68/10/06/950681006.db2.gz SSRZPSKTUUZRKG-RYUDHWBXSA-N -1 1 382.432 1.149 20 0 GDADMM CC(C)n1ccc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@@H]2C)n1 ZINC001575925068 950681017 /nfs/dbraw/zinc/68/10/17/950681017.db2.gz SSRZPSKTUUZRKG-RYUDHWBXSA-N -1 1 382.432 1.149 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)CC(C)(C)C ZINC001574519722 950694042 /nfs/dbraw/zinc/69/40/42/950694042.db2.gz HQQSTACUBCBSAR-APNQJHFZSA-N -1 1 384.488 1.670 20 0 GDADMM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)CC(C)(C)C ZINC001574519722 950694052 /nfs/dbraw/zinc/69/40/52/950694052.db2.gz HQQSTACUBCBSAR-APNQJHFZSA-N -1 1 384.488 1.670 20 0 GDADMM CC1(C)CC(C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575625856 950698711 /nfs/dbraw/zinc/69/87/11/950698711.db2.gz YTUFWIWXFVPCFX-CABCVRRESA-N -1 1 382.472 1.663 20 0 GDADMM CC1(C)CC(C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575625856 950698724 /nfs/dbraw/zinc/69/87/24/950698724.db2.gz YTUFWIWXFVPCFX-CABCVRRESA-N -1 1 382.472 1.663 20 0 GDADMM C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)c1ccccc1Cl ZINC001575926277 950704598 /nfs/dbraw/zinc/70/45/98/950704598.db2.gz XFBQPKZJVHUXTN-ZWNOBZJWSA-N -1 1 384.831 1.447 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(F)F)CCC2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576215917 950721211 /nfs/dbraw/zinc/72/12/11/950721211.db2.gz CFIXPPPQYJCFAF-QWRGUYRKSA-N -1 1 392.414 1.020 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001573878752 950723431 /nfs/dbraw/zinc/72/34/31/950723431.db2.gz ZXMZCZKPIGBNHS-MGPQQGTHSA-N -1 1 384.488 1.814 20 0 GDADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001573878752 950723444 /nfs/dbraw/zinc/72/34/44/950723444.db2.gz ZXMZCZKPIGBNHS-MGPQQGTHSA-N -1 1 384.488 1.814 20 0 GDADMM C[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(-c3nnn[n-]3)o2)C1 ZINC001576216108 950725549 /nfs/dbraw/zinc/72/55/49/950725549.db2.gz YOTARESOSCSCFJ-STQMWFEESA-N -1 1 384.444 1.840 20 0 GDADMM C[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(-c3nn[n-]n3)o2)C1 ZINC001576216108 950725563 /nfs/dbraw/zinc/72/55/63/950725563.db2.gz YOTARESOSCSCFJ-STQMWFEESA-N -1 1 384.444 1.840 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cc2c([nH]1)CCC2 ZINC001575927318 950740429 /nfs/dbraw/zinc/74/04/29/950740429.db2.gz PAJYICPBSARIIB-CMPLNLGQSA-N -1 1 379.428 1.189 20 0 GDADMM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cc2c([nH]1)CCC2 ZINC001575927318 950740446 /nfs/dbraw/zinc/74/04/46/950740446.db2.gz PAJYICPBSARIIB-CMPLNLGQSA-N -1 1 379.428 1.189 20 0 GDADMM CC(C)(C)c1cc(C(=O)NCC=CCNc2cncc(-c3nnn[n-]3)n2)no1 ZINC001573880257 950744679 /nfs/dbraw/zinc/74/46/79/950744679.db2.gz WKGPQYMZFMBSGZ-SNAWJCMRSA-N -1 1 383.416 1.340 20 0 GDADMM CC(C)(C)c1cc(C(=O)NCC=CCNc2cncc(-c3nn[n-]n3)n2)no1 ZINC001573880257 950744698 /nfs/dbraw/zinc/74/46/98/950744698.db2.gz WKGPQYMZFMBSGZ-SNAWJCMRSA-N -1 1 383.416 1.340 20 0 GDADMM CC1(C)CC(C(=O)N[C@@]23CCC[C@@H]2N(c2ccc(-c4nnn[n-]4)nn2)CC3)C1 ZINC001575629792 950747515 /nfs/dbraw/zinc/74/75/15/950747515.db2.gz TWDLPVUOKHGPLY-IFXJQAMLSA-N -1 1 382.472 1.711 20 0 GDADMM CC1(C)CC(C(=O)N[C@@]23CCC[C@@H]2N(c2ccc(-c4nn[n-]n4)nn2)CC3)C1 ZINC001575629792 950747537 /nfs/dbraw/zinc/74/75/37/950747537.db2.gz TWDLPVUOKHGPLY-IFXJQAMLSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CC1CC(F)(F)C1 ZINC001575928031 950768246 /nfs/dbraw/zinc/76/82/46/950768246.db2.gz XUFCWTROXDXGMH-MWLCHTKSSA-N -1 1 378.387 1.493 20 0 GDADMM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CC1CC(F)(F)C1 ZINC001575928031 950768263 /nfs/dbraw/zinc/76/82/63/950768263.db2.gz XUFCWTROXDXGMH-MWLCHTKSSA-N -1 1 378.387 1.493 20 0 GDADMM CC(C)CCC(=O)N[C@@H]1[C@H]2CN(c3nc(-c4nn[n-]n4)c(Cl)s3)C[C@H]21 ZINC001574184153 950773874 /nfs/dbraw/zinc/77/38/74/950773874.db2.gz GGKCQTSPVDEBFK-JZYVYDRUSA-N -1 1 381.893 1.964 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C(F)(F)F)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576218023 950778577 /nfs/dbraw/zinc/77/85/77/950778577.db2.gz KGMQKHBLECUTCW-RKDXNWHRSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@@H]1CN(C(=O)C(C)(C)C(F)(F)F)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576218023 950778595 /nfs/dbraw/zinc/77/85/95/950778595.db2.gz KGMQKHBLECUTCW-RKDXNWHRSA-N -1 1 384.366 1.504 20 0 GDADMM C[C@H](CN(C)C(=O)c1scnc1C1CC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574765240 950782284 /nfs/dbraw/zinc/78/22/84/950782284.db2.gz ASKBJOCHKOSWAD-SECBINFHSA-N -1 1 385.457 1.563 20 0 GDADMM C[C@H](CN(C)C(=O)c1scnc1C1CC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574765240 950782308 /nfs/dbraw/zinc/78/23/08/950782308.db2.gz ASKBJOCHKOSWAD-SECBINFHSA-N -1 1 385.457 1.563 20 0 GDADMM C[C@H](CN(C)C(=O)c1ncsc1C1CC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574765490 950787228 /nfs/dbraw/zinc/78/72/28/950787228.db2.gz CZXZLSIWHPIBSE-SECBINFHSA-N -1 1 385.457 1.563 20 0 GDADMM C[C@H](CN(C)C(=O)c1ncsc1C1CC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574765490 950787237 /nfs/dbraw/zinc/78/72/37/950787237.db2.gz CZXZLSIWHPIBSE-SECBINFHSA-N -1 1 385.457 1.563 20 0 GDADMM CC(C)(C)c1ccccc1C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001573884146 950788571 /nfs/dbraw/zinc/78/85/71/950788571.db2.gz KAXGVGGNDKSOAX-CYBMUJFWSA-N -1 1 392.467 1.963 20 0 GDADMM CC(C)(C)c1ccccc1C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001573884146 950788592 /nfs/dbraw/zinc/78/85/92/950788592.db2.gz KAXGVGGNDKSOAX-CYBMUJFWSA-N -1 1 392.467 1.963 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCc1cncs1 ZINC001575930630 950794684 /nfs/dbraw/zinc/79/46/84/950794684.db2.gz FNDVVQFXGJDKTH-JQWIXIFHSA-N -1 1 385.457 1.147 20 0 GDADMM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1cncs1 ZINC001575930630 950794696 /nfs/dbraw/zinc/79/46/96/950794696.db2.gz FNDVVQFXGJDKTH-JQWIXIFHSA-N -1 1 385.457 1.147 20 0 GDADMM CC1(C)CC(CC(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001575632503 950799009 /nfs/dbraw/zinc/79/90/09/950799009.db2.gz KBZQPOWREOFALO-CQSZACIVSA-N -1 1 384.488 1.958 20 0 GDADMM C[C@H]1[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CCN1C(=O)c1ccnnc1 ZINC001575931121 950799829 /nfs/dbraw/zinc/79/98/29/950799829.db2.gz GWTQSBMPNVSPOQ-IONNQARKSA-N -1 1 391.848 1.482 20 0 GDADMM C[C@H]1[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)CCN1C(=O)c1cn[nH]c1 ZINC001575931111 950800603 /nfs/dbraw/zinc/80/06/03/950800603.db2.gz GWQPIGPAZUTVQN-POYBYMJQSA-N -1 1 379.837 1.415 20 0 GDADMM C[C@H]1[C@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)CCN1C(=O)c1cn[nH]c1 ZINC001575931111 950800622 /nfs/dbraw/zinc/80/06/22/950800622.db2.gz GWQPIGPAZUTVQN-POYBYMJQSA-N -1 1 379.837 1.415 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(C)(F)F)CC2)CC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576219504 950805865 /nfs/dbraw/zinc/80/58/65/950805865.db2.gz OBKGSJFCTQKOEY-WDEREUQCSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@H]1CN(C(=O)C2(C(C)(F)F)CC2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576219504 950805885 /nfs/dbraw/zinc/80/58/85/950805885.db2.gz OBKGSJFCTQKOEY-WDEREUQCSA-N -1 1 392.414 1.741 20 0 GDADMM CC1(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)CC(C)(C)C2)CCC1 ZINC001575638403 950827483 /nfs/dbraw/zinc/82/74/83/950827483.db2.gz BMYXTUINPLPIBF-CYBMUJFWSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)CC(C)(C)C2)CCC1 ZINC001575638403 950827517 /nfs/dbraw/zinc/82/75/17/950827517.db2.gz BMYXTUINPLPIBF-CYBMUJFWSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)C[C@H](NC(=O)[C@@H]2CC23CC3)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575638464 950831188 /nfs/dbraw/zinc/83/11/88/950831188.db2.gz DMZAPHWRBZQDBF-OLZOCXBDSA-N -1 1 382.472 1.568 20 0 GDADMM CC1(C)C[C@H](NC(=O)[C@@H]2CC23CC3)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575638464 950831216 /nfs/dbraw/zinc/83/12/16/950831216.db2.gz DMZAPHWRBZQDBF-OLZOCXBDSA-N -1 1 382.472 1.568 20 0 GDADMM CC(C)CCCC(=O)N1CCO[C@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574188200 950845447 /nfs/dbraw/zinc/84/54/47/950845447.db2.gz SYPAGHRCTUVBGG-ZFWWWQNUSA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)CCCC(=O)N1CCO[C@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574188200 950845471 /nfs/dbraw/zinc/84/54/71/950845471.db2.gz SYPAGHRCTUVBGG-ZFWWWQNUSA-N -1 1 388.476 1.511 20 0 GDADMM CC(C)c1nnsc1C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574767885 950871181 /nfs/dbraw/zinc/87/11/81/950871181.db2.gz QXPZXUDCXCSVMI-VIFPVBQESA-N -1 1 388.461 1.204 20 0 GDADMM CC(C)c1nnsc1C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574767885 950871201 /nfs/dbraw/zinc/87/12/01/950871201.db2.gz QXPZXUDCXCSVMI-VIFPVBQESA-N -1 1 388.461 1.204 20 0 GDADMM CC1(C)C[C@@H](NC(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)CCS1(=O)=O ZINC001575639906 950881256 /nfs/dbraw/zinc/88/12/56/950881256.db2.gz DASRCZQBZUKMFI-JTQLQIEISA-N -1 1 388.453 1.434 20 0 GDADMM C[C@H]1CN(C(=O)C2Cc3ccccc3C2)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576226429 950881351 /nfs/dbraw/zinc/88/13/51/950881351.db2.gz BHFPFROURKDOQU-SJCJKPOMSA-N -1 1 390.451 1.331 20 0 GDADMM C[C@H]1CN(C(=O)C2Cc3ccccc3C2)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576226429 950881362 /nfs/dbraw/zinc/88/13/62/950881362.db2.gz BHFPFROURKDOQU-SJCJKPOMSA-N -1 1 390.451 1.331 20 0 GDADMM CC(C)(CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1)C1CC1 ZINC001573893440 950883057 /nfs/dbraw/zinc/88/30/57/950883057.db2.gz FZRZMKUWAPNSQB-OKILXGFUSA-N -1 1 382.472 1.663 20 0 GDADMM CC(C)(CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1)C1CC1 ZINC001573893440 950883071 /nfs/dbraw/zinc/88/30/71/950883071.db2.gz FZRZMKUWAPNSQB-OKILXGFUSA-N -1 1 382.472 1.663 20 0 GDADMM C[C@H]1CN(C(=O)C2CC3(CC3)C2)CC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576226908 950896617 /nfs/dbraw/zinc/89/66/17/950896617.db2.gz CXASWSGYJFUGHZ-QWHCGFSZSA-N -1 1 382.472 1.743 20 0 GDADMM C[C@H]1CN(C(=O)C2CC3(CC3)C2)CC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576226908 950896636 /nfs/dbraw/zinc/89/66/36/950896636.db2.gz CXASWSGYJFUGHZ-QWHCGFSZSA-N -1 1 382.472 1.743 20 0 GDADMM CC1(C)C[C@@H](NC(=O)CC2CCC2)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575640819 950907135 /nfs/dbraw/zinc/90/71/35/950907135.db2.gz KUWSMURWLPSMLR-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC1(C)C[C@@H](NC(=O)CC2CCC2)CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575640819 950907146 /nfs/dbraw/zinc/90/71/46/950907146.db2.gz KUWSMURWLPSMLR-AWEZNQCLSA-N -1 1 384.488 1.958 20 0 GDADMM CC(C)(CC(=O)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)CC(F)F ZINC001573895888 950943813 /nfs/dbraw/zinc/94/38/13/950943813.db2.gz FGPGKAUYNXPRQT-UHFFFAOYSA-N -1 1 380.403 1.377 20 0 GDADMM C[C@H]1CN(C(=O)CC(C)(C)C2CC2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576229473 950970206 /nfs/dbraw/zinc/97/02/06/950970206.db2.gz NBXZUFIJAXQCNQ-QWHCGFSZSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@H]1CN(C(=O)CC(C)(C)C2CC2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576229473 950970223 /nfs/dbraw/zinc/97/02/23/950970223.db2.gz NBXZUFIJAXQCNQ-QWHCGFSZSA-N -1 1 384.488 1.989 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)CC(F)(F)C2)CC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576229519 950975900 /nfs/dbraw/zinc/97/59/00/950975900.db2.gz KBYQRGDYVMPGKM-GHMZBOCLSA-N -1 1 392.414 1.741 20 0 GDADMM C[C@@H]1CN(C(=O)C2(C)CC(F)(F)C2)CC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576229519 950975922 /nfs/dbraw/zinc/97/59/22/950975922.db2.gz KBYQRGDYVMPGKM-GHMZBOCLSA-N -1 1 392.414 1.741 20 0 GDADMM CC(C)(CC(F)(F)F)C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001573899825 950988288 /nfs/dbraw/zinc/98/82/88/950988288.db2.gz KOZRYFNEPKJJSE-VIFPVBQESA-N -1 1 384.366 1.330 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)C1CCC(F)(F)CC1 ZINC001575938959 950996660 /nfs/dbraw/zinc/99/66/60/950996660.db2.gz PEEYRDGAUPUAAD-ZYHUDNBSSA-N -1 1 392.414 1.884 20 0 GDADMM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)C1CCC(F)(F)CC1 ZINC001575938959 950996678 /nfs/dbraw/zinc/99/66/78/950996678.db2.gz PEEYRDGAUPUAAD-ZYHUDNBSSA-N -1 1 392.414 1.884 20 0 GDADMM C[C@H](CNC(=O)c1ccc(Cl)s1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575022714 951071130 /nfs/dbraw/zinc/07/11/30/951071130.db2.gz INRNPCGBYSLYDE-MRVPVSSYSA-N -1 1 378.849 1.626 20 0 GDADMM C[C@H](CNC(=O)c1ccc(F)cc1Cl)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575024451 951105371 /nfs/dbraw/zinc/10/53/71/951105371.db2.gz DYYJYDGOTGPUMV-MRVPVSSYSA-N -1 1 376.783 1.102 20 0 GDADMM CC(C)Oc1ccc(C(=O)NC[C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)nc1 ZINC001575024612 951110006 /nfs/dbraw/zinc/11/00/06/951110006.db2.gz JFPBITOTUGXQMH-NSHDSACASA-N -1 1 383.416 1.069 20 0 GDADMM CC(C)Oc1ccc(C(=O)NC[C@H](C)Nc2ccc(-c3nn[n-]n3)nn2)nc1 ZINC001575024612 951110016 /nfs/dbraw/zinc/11/00/16/951110016.db2.gz JFPBITOTUGXQMH-NSHDSACASA-N -1 1 383.416 1.069 20 0 GDADMM C[C@@H](CNC(=O)c1ccccc1-n1cccn1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575028954 951178942 /nfs/dbraw/zinc/17/89/42/951178942.db2.gz QIODGISEWLTYHG-LBPRGKRZSA-N -1 1 390.411 1.073 20 0 GDADMM C[C@@H](CNC(=O)c1ccccc1-n1cccn1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575028954 951178947 /nfs/dbraw/zinc/17/89/47/951178947.db2.gz QIODGISEWLTYHG-LBPRGKRZSA-N -1 1 390.411 1.073 20 0 GDADMM C[C@@H](CNC(=O)c1cccnn1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575032490 951226433 /nfs/dbraw/zinc/22/64/33/951226433.db2.gz ZABPUHRKQOYORH-ZETCQYMHSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1cccnn1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575032490 951226439 /nfs/dbraw/zinc/22/64/39/951226439.db2.gz ZABPUHRKQOYORH-ZETCQYMHSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@H](CNC(=O)c1ccncn1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001575034576 951251415 /nfs/dbraw/zinc/25/14/15/951251415.db2.gz NUKPONIJVHKQPA-SSDOTTSWSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@H](CNC(=O)c1ccncn1)CNc1snc(Cl)c1-c1nn[n-]n1 ZINC001575034576 951251423 /nfs/dbraw/zinc/25/14/23/951251423.db2.gz NUKPONIJVHKQPA-SSDOTTSWSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@@H](CNC(=O)c1ccn(C)n1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575036709 951302093 /nfs/dbraw/zinc/30/20/93/951302093.db2.gz WLGFFXCOGIRRLZ-ZETCQYMHSA-N -1 1 381.853 1.188 20 0 GDADMM C[C@H](CNC(=O)c1cncc(F)c1)Nc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001575046956 951450761 /nfs/dbraw/zinc/45/07/61/951450761.db2.gz VSBZDVMOTLLREI-ZCFIWIBFSA-N -1 1 382.812 1.741 20 0 GDADMM C[C@@H](CNC(=O)c1coc(C(C)(C)C)n1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575056296 951519265 /nfs/dbraw/zinc/51/92/65/951519265.db2.gz GYCDRSQZGSYZJL-JTQLQIEISA-N -1 1 385.432 1.197 20 0 GDADMM C[C@@H](CNC(=O)c1coc(C2CCC2)n1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575058967 951537549 /nfs/dbraw/zinc/53/75/49/951537549.db2.gz XDAQWVXTTLSONI-SNVBAGLBSA-N -1 1 383.416 1.390 20 0 GDADMM C[C@@H](CNC(=O)c1coc(C2CCC2)n1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575058967 951537559 /nfs/dbraw/zinc/53/75/59/951537559.db2.gz XDAQWVXTTLSONI-SNVBAGLBSA-N -1 1 383.416 1.390 20 0 GDADMM CC(C)(C)OC(=O)CCC[N@H+]1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001602877994 971754441 /nfs/dbraw/zinc/75/44/41/971754441.db2.gz JICNWNOLDZEEDD-ZYHUDNBSSA-N -1 1 382.379 1.704 20 0 GDADMM C[C@@H](CNC(=O)c1ncoc1C(C)(C)C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001575065259 951581677 /nfs/dbraw/zinc/58/16/77/951581677.db2.gz AUXPPPQETZQFIH-JTQLQIEISA-N -1 1 385.432 1.197 20 0 GDADMM C[C@@H](CNC(=O)c1ncoc1C(C)(C)C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001575065259 951581688 /nfs/dbraw/zinc/58/16/88/951581688.db2.gz AUXPPPQETZQFIH-JTQLQIEISA-N -1 1 385.432 1.197 20 0 GDADMM C[C@H](CNC(=O)c1ncoc1C(C)(C)C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575065376 951583526 /nfs/dbraw/zinc/58/35/26/951583526.db2.gz CACSDQHAEJQSSJ-JTQLQIEISA-N -1 1 385.432 1.420 20 0 GDADMM C[C@H](CNC(=O)c1ncoc1C(C)(C)C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575065376 951583532 /nfs/dbraw/zinc/58/35/32/951583532.db2.gz CACSDQHAEJQSSJ-JTQLQIEISA-N -1 1 385.432 1.420 20 0 GDADMM C[C@@H](CNC(=O)c1ocnc1C(F)F)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575067367 951608189 /nfs/dbraw/zinc/60/81/89/951608189.db2.gz RPUYDBUSPRGDDR-SSDOTTSWSA-N -1 1 379.331 1.060 20 0 GDADMM C[C@@H](CNC(=O)c1ocnc1C(F)F)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575067367 951608199 /nfs/dbraw/zinc/60/81/99/951608199.db2.gz RPUYDBUSPRGDDR-SSDOTTSWSA-N -1 1 379.331 1.060 20 0 GDADMM C[C@H](CNC(=O)c1scnc1Cl)CNc1nccnc1-c1nnn[n-]1 ZINC001575068537 951633541 /nfs/dbraw/zinc/63/35/41/951633541.db2.gz AHCSHKMLMXYGTH-ZETCQYMHSA-N -1 1 379.837 1.245 20 0 GDADMM C[C@H](CNC(=O)c1scnc1Cl)CNc1nccnc1-c1nn[n-]n1 ZINC001575068537 951633546 /nfs/dbraw/zinc/63/35/46/951633546.db2.gz AHCSHKMLMXYGTH-ZETCQYMHSA-N -1 1 379.837 1.245 20 0 GDADMM CC(C)c1ncsc1C(=O)NC[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575069236 951642254 /nfs/dbraw/zinc/64/22/54/951642254.db2.gz HJUZYEBIXSUAGR-JTQLQIEISA-N -1 1 387.473 1.137 20 0 GDADMM CC(C)c1ncsc1C(=O)NC[C@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575069621 951645649 /nfs/dbraw/zinc/64/56/49/951645649.db2.gz LCMZGCFGLWYJOO-SNVBAGLBSA-N -1 1 387.473 1.715 20 0 GDADMM CC(C)c1ncsc1C(=O)NC[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001575069621 951645651 /nfs/dbraw/zinc/64/56/51/951645651.db2.gz LCMZGCFGLWYJOO-SNVBAGLBSA-N -1 1 387.473 1.715 20 0 GDADMM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)C[C@H]1CCCOC1)C1CC1 ZINC001575129689 952086472 /nfs/dbraw/zinc/08/64/72/952086472.db2.gz YVMJUYBWEDCHNW-XIKOKIGWSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)C[C@H]1CCCOC1)C1CC1 ZINC001575129689 952086481 /nfs/dbraw/zinc/08/64/81/952086481.db2.gz YVMJUYBWEDCHNW-XIKOKIGWSA-N -1 1 386.460 1.170 20 0 GDADMM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cccc2c1OCC2 ZINC001575135275 952118196 /nfs/dbraw/zinc/11/81/96/952118196.db2.gz PWJQFBNLTDNOPU-LLVKDONJSA-N -1 1 380.412 1.164 20 0 GDADMM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cccc2c1OCC2 ZINC001575135275 952118201 /nfs/dbraw/zinc/11/82/01/952118201.db2.gz PWJQFBNLTDNOPU-LLVKDONJSA-N -1 1 380.412 1.164 20 0 GDADMM O=C([O-])Cn1cc(NC(=O)c2ccc(I)cc2O)cn1 ZINC001595148083 952124930 /nfs/dbraw/zinc/12/49/30/952124930.db2.gz TUFRDHBHSPNNSO-UHFFFAOYSA-N -1 1 387.133 1.530 20 0 GDADMM C[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575141502 952144819 /nfs/dbraw/zinc/14/48/19/952144819.db2.gz HPTOGGAJTJNJPR-KBPBESRZSA-N -1 1 380.456 1.216 20 0 GDADMM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)CC1(C(F)(F)F)CC1 ZINC001575143364 952151436 /nfs/dbraw/zinc/15/14/36/952151436.db2.gz PAAWNZWQBYTDRQ-SECBINFHSA-N -1 1 384.366 1.070 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccsc1Cl ZINC001575143910 952159409 /nfs/dbraw/zinc/15/94/09/952159409.db2.gz DPEDOWIDYVQUKO-QMMMGPOBSA-N -1 1 378.849 1.366 20 0 GDADMM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C[C@H]1CCC(F)(F)C1 ZINC001575144741 952170295 /nfs/dbraw/zinc/17/02/95/952170295.db2.gz XTEGMPDKEJRQNX-WDEREUQCSA-N -1 1 380.403 1.163 20 0 GDADMM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)C[C@H]1CCCCO1)C1CC1 ZINC001575147799 952201047 /nfs/dbraw/zinc/20/10/47/952201047.db2.gz WEEMQZBFAIWQPB-FZKQIMNGSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)C[C@H]1CCCCO1)C1CC1 ZINC001575147799 952201050 /nfs/dbraw/zinc/20/10/50/952201050.db2.gz WEEMQZBFAIWQPB-FZKQIMNGSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)C[C@H]1CCC(C)(C)CO1 ZINC001575154563 952226381 /nfs/dbraw/zinc/22/63/81/952226381.db2.gz SOTILTOBKZSXOT-CHWSQXEVSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)C[C@H]1CCC(C)(C)CO1 ZINC001575154563 952226385 /nfs/dbraw/zinc/22/63/85/952226385.db2.gz SOTILTOBKZSXOT-CHWSQXEVSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)C1(c2cccnc2)CC1 ZINC001575155714 952243304 /nfs/dbraw/zinc/24/33/04/952243304.db2.gz OYELLHIQKBIWBY-LBPRGKRZSA-N -1 1 379.428 1.042 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)C1(c2cccnc2)CC1 ZINC001575155714 952243311 /nfs/dbraw/zinc/24/33/11/952243311.db2.gz OYELLHIQKBIWBY-LBPRGKRZSA-N -1 1 379.428 1.042 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CCOc1ccccc1 ZINC001575155948 952246590 /nfs/dbraw/zinc/24/65/90/952246590.db2.gz BAEJEXOUBQQLAN-CYBMUJFWSA-N -1 1 382.428 1.385 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CCOc1ccccc1 ZINC001575155948 952246593 /nfs/dbraw/zinc/24/65/93/952246593.db2.gz BAEJEXOUBQQLAN-CYBMUJFWSA-N -1 1 382.428 1.385 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)C1(C(F)(F)F)CCC1 ZINC001575156200 952248522 /nfs/dbraw/zinc/24/85/22/952248522.db2.gz QSLSUWAYHUUHKT-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)C1(C(F)(F)F)CCC1 ZINC001575156200 952248528 /nfs/dbraw/zinc/24/85/28/952248528.db2.gz QSLSUWAYHUUHKT-VIFPVBQESA-N -1 1 384.366 1.648 20 0 GDADMM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ccc2[nH]ccc2n1 ZINC001575156285 952250881 /nfs/dbraw/zinc/25/08/81/952250881.db2.gz SCMLVGULECRTQM-JTQLQIEISA-N -1 1 378.400 1.106 20 0 GDADMM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ccc2[nH]ccc2n1 ZINC001575156285 952250887 /nfs/dbraw/zinc/25/08/87/952250887.db2.gz SCMLVGULECRTQM-JTQLQIEISA-N -1 1 378.400 1.106 20 0 GDADMM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)c1ccccc1O)C1CC1 ZINC001575156585 952255707 /nfs/dbraw/zinc/25/57/07/952255707.db2.gz VFWNVBLHWAQHAX-GOSISDBHSA-N -1 1 380.412 1.373 20 0 GDADMM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)c1ccccc1O)C1CC1 ZINC001575156585 952255714 /nfs/dbraw/zinc/25/57/14/952255714.db2.gz VFWNVBLHWAQHAX-GOSISDBHSA-N -1 1 380.412 1.373 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)c1ccn(C(C)(C)C)n1 ZINC001575158020 952269891 /nfs/dbraw/zinc/26/98/91/952269891.db2.gz RAFJJHMWCUUJKM-NSHDSACASA-N -1 1 384.448 1.181 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1ccn(C(C)(C)C)n1 ZINC001575158020 952269902 /nfs/dbraw/zinc/26/99/02/952269902.db2.gz RAFJJHMWCUUJKM-NSHDSACASA-N -1 1 384.448 1.181 20 0 GDADMM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)Cc1ccc(F)c(F)c1 ZINC001575158431 952271468 /nfs/dbraw/zinc/27/14/68/952271468.db2.gz VGHNAERVIDIWDP-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)Cc1ccc(F)c(F)c1 ZINC001575158431 952271470 /nfs/dbraw/zinc/27/14/70/952271470.db2.gz VGHNAERVIDIWDP-JTQLQIEISA-N -1 1 388.382 1.436 20 0 GDADMM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CC[C@@H]1CC(C)(C)CO1 ZINC001575159024 952274835 /nfs/dbraw/zinc/27/48/35/952274835.db2.gz YCNUIVHWNVUUCF-CHWSQXEVSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CC[C@@H]1CC(C)(C)CO1 ZINC001575159024 952274840 /nfs/dbraw/zinc/27/48/40/952274840.db2.gz YCNUIVHWNVUUCF-CHWSQXEVSA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CNc1nc(-c2nn[n-]n2)c(Cl)s1)N(C)C(=O)C[C@H]1CCOC1 ZINC001575164090 952286508 /nfs/dbraw/zinc/28/65/08/952286508.db2.gz BJRGEOIEOIBXOZ-DTWKUNHWSA-N -1 1 385.881 1.662 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)c1ccccn1 ZINC001575164375 952292287 /nfs/dbraw/zinc/29/22/87/952292287.db2.gz DSGFPQULHPQSTL-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)c1ccccn1 ZINC001575164375 952292290 /nfs/dbraw/zinc/29/22/90/952292290.db2.gz DSGFPQULHPQSTL-QMMMGPOBSA-N -1 1 378.849 1.944 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nnn[n-]2)s1)N(C)C(=O)Cn1cccn1 ZINC001575164621 952295083 /nfs/dbraw/zinc/29/50/83/952295083.db2.gz GJUYOCDSUIPFNB-MRVPVSSYSA-N -1 1 381.853 1.132 20 0 GDADMM C[C@H](CNc1nc(Cl)c(-c2nn[n-]n2)s1)N(C)C(=O)Cn1cccn1 ZINC001575164621 952295088 /nfs/dbraw/zinc/29/50/88/952295088.db2.gz GJUYOCDSUIPFNB-MRVPVSSYSA-N -1 1 381.853 1.132 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)C[C@@H]1CCC(C)(C)CO1 ZINC001575174145 952365356 /nfs/dbraw/zinc/36/53/56/952365356.db2.gz HXPGBIJIQAXPLO-STQMWFEESA-N -1 1 388.476 1.511 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)C[C@@H]1CCC(C)(C)CO1 ZINC001575174145 952365363 /nfs/dbraw/zinc/36/53/63/952365363.db2.gz HXPGBIJIQAXPLO-STQMWFEESA-N -1 1 388.476 1.511 20 0 GDADMM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)C[C@H]1CCCCO1)C1CC1 ZINC001575174507 952372684 /nfs/dbraw/zinc/37/26/84/952372684.db2.gz PUFIUTSLUNKPBG-FZKQIMNGSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)C[C@H]1CCCCO1)C1CC1 ZINC001575174507 952372692 /nfs/dbraw/zinc/37/26/92/952372692.db2.gz PUFIUTSLUNKPBG-FZKQIMNGSA-N -1 1 386.460 1.313 20 0 GDADMM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)C[C@@H]1CCCC1(F)F ZINC001575175174 952383931 /nfs/dbraw/zinc/38/39/31/952383931.db2.gz VNDRAXOBUNIVKO-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)C[C@@H]1CCCC1(F)F ZINC001575175174 952383935 /nfs/dbraw/zinc/38/39/35/952383935.db2.gz VNDRAXOBUNIVKO-MNOVXSKESA-N -1 1 380.403 1.741 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)c1n[nH]cc1F ZINC001575179491 952411657 /nfs/dbraw/zinc/41/16/57/952411657.db2.gz PRMHNGVJRVERAO-YFKPBYRVSA-N -1 1 385.816 1.411 20 0 GDADMM C[C@@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)c1n[nH]cc1F ZINC001575179491 952411661 /nfs/dbraw/zinc/41/16/61/952411661.db2.gz PRMHNGVJRVERAO-YFKPBYRVSA-N -1 1 385.816 1.411 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001575180157 952415823 /nfs/dbraw/zinc/41/58/23/952415823.db2.gz SCVBWWQILCFIKF-ZQGRQUNCSA-N -1 1 392.467 1.893 20 0 GDADMM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001575180157 952415826 /nfs/dbraw/zinc/41/58/26/952415826.db2.gz SCVBWWQILCFIKF-ZQGRQUNCSA-N -1 1 392.467 1.893 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)c1cnsn1 ZINC001575180563 952418740 /nfs/dbraw/zinc/41/87/40/952418740.db2.gz WFSQXBKLBUULKN-RXMQYKEDSA-N -1 1 385.866 1.401 20 0 GDADMM C[C@H](CNc1snc(Cl)c1-c1nn[n-]n1)N(C)C(=O)c1cnsn1 ZINC001575180563 952418744 /nfs/dbraw/zinc/41/87/44/952418744.db2.gz WFSQXBKLBUULKN-RXMQYKEDSA-N -1 1 385.866 1.401 20 0 GDADMM C[C@H](Cc1ccccc1F)C(=O)N[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001575188978 952452931 /nfs/dbraw/zinc/45/29/31/952452931.db2.gz LRTZEPOYDNVAEE-NEPJUHHUSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@H](Cc1ccccc1F)C(=O)N[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001575188978 952452934 /nfs/dbraw/zinc/45/29/34/952452934.db2.gz LRTZEPOYDNVAEE-NEPJUHHUSA-N -1 1 384.419 1.591 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001575195845 952472778 /nfs/dbraw/zinc/47/27/78/952472778.db2.gz BYHKLFSPAOPMNQ-QWHCGFSZSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001575195845 952472785 /nfs/dbraw/zinc/47/27/85/952472785.db2.gz BYHKLFSPAOPMNQ-QWHCGFSZSA-N -1 1 382.428 1.531 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575195870 952473477 /nfs/dbraw/zinc/47/34/77/952473477.db2.gz CKEVQGDCCPXCLE-UPJWGTAASA-N -1 1 382.428 1.435 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575195870 952473481 /nfs/dbraw/zinc/47/34/81/952473481.db2.gz CKEVQGDCCPXCLE-UPJWGTAASA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001575196188 952474479 /nfs/dbraw/zinc/47/44/79/952474479.db2.gz FGKJCLHWFHLERS-LBPRGKRZSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001575196555 952475618 /nfs/dbraw/zinc/47/56/18/952475618.db2.gz HDONIJWGWCTSKH-NHYWBVRUSA-N -1 1 382.428 1.435 20 0 GDADMM C[C@@H](Cc1ccco1)C(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1 ZINC001575196555 952475620 /nfs/dbraw/zinc/47/56/20/952475620.db2.gz HDONIJWGWCTSKH-NHYWBVRUSA-N -1 1 382.428 1.435 20 0 GDADMM COc1ncc(NC(=O)N[C@](C)(CO)C2CCCCC2)cc1-c1nn[n-]n1 ZINC001571117114 952479729 /nfs/dbraw/zinc/47/97/29/952479729.db2.gz GVZPRVVYDSRWFX-QGZVFWFLSA-N -1 1 375.433 1.723 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575197457 952484157 /nfs/dbraw/zinc/48/41/57/952484157.db2.gz WKLYUZORFIMXCF-GFCCVEGCSA-N -1 1 382.428 1.214 20 0 GDADMM C[C@H](Cc1ccco1)C(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575197457 952484162 /nfs/dbraw/zinc/48/41/62/952484162.db2.gz WKLYUZORFIMXCF-GFCCVEGCSA-N -1 1 382.428 1.214 20 0 GDADMM Cc1nsc(N2CCC[C@@H](NC(=O)C3=CCOCC3)C2)c1-c1nn[n-]n1 ZINC001571118590 952488719 /nfs/dbraw/zinc/48/87/19/952488719.db2.gz XKKCNFYHTYBRIN-GFCCVEGCSA-N -1 1 375.458 1.063 20 0 GDADMM Cc1nsc(NC2CC(CNC(=O)c3cc(F)c[nH]3)C2)c1-c1nn[n-]n1 ZINC001571120715 952507476 /nfs/dbraw/zinc/50/74/76/952507476.db2.gz PUZUXSVWXFTBRF-UHFFFAOYSA-N -1 1 376.421 1.719 20 0 GDADMM O=C([C@@H]1Cc2ccccc21)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571120747 952509281 /nfs/dbraw/zinc/50/92/81/952509281.db2.gz QOZUJJOIYIWTBT-UKRRQHHQSA-N -1 1 376.424 1.400 20 0 GDADMM O=C([C@@H]1Cc2ccccc21)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571120747 952509287 /nfs/dbraw/zinc/50/92/87/952509287.db2.gz QOZUJJOIYIWTBT-UKRRQHHQSA-N -1 1 376.424 1.400 20 0 GDADMM CC(C)[C@H](F)C(=O)N1CCC[C@H](CCNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571121665 952520315 /nfs/dbraw/zinc/52/03/15/952520315.db2.gz BJMUHCLJFZBEKK-OCCSQVGLSA-N -1 1 376.440 1.113 20 0 GDADMM CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NCc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571121915 952522152 /nfs/dbraw/zinc/52/21/52/952522152.db2.gz DXVTXIUEKLTRSW-NEPJUHHUSA-N -1 1 376.486 1.829 20 0 GDADMM CCc1nc(NC[C@@H]2CCC[C@@H]2NC(=O)C(C)(C)F)cc(-c2nnn[n-]2)n1 ZINC001571121948 952523707 /nfs/dbraw/zinc/52/37/07/952523707.db2.gz GBXMWUULTBXXNL-QWRGUYRKSA-N -1 1 376.440 1.664 20 0 GDADMM CCc1nc(NC[C@@H]2CCC[C@@H]2NC(=O)C(C)(C)F)cc(-c2nn[n-]n2)n1 ZINC001571121948 952523715 /nfs/dbraw/zinc/52/37/15/952523715.db2.gz GBXMWUULTBXXNL-QWRGUYRKSA-N -1 1 376.440 1.664 20 0 GDADMM CS[C@@H](C)C(=O)N1CCC([C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571123371 952529348 /nfs/dbraw/zinc/52/93/48/952529348.db2.gz QTXFYTHDAFIFOK-MNOVXSKESA-N -1 1 376.490 1.447 20 0 GDADMM CS[C@@H](C)C(=O)N1CCC([C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571123371 952529356 /nfs/dbraw/zinc/52/93/56/952529356.db2.gz QTXFYTHDAFIFOK-MNOVXSKESA-N -1 1 376.490 1.447 20 0 GDADMM CC[C@@H](SC)C(=O)N1CCC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571123497 952530928 /nfs/dbraw/zinc/53/09/28/952530928.db2.gz SNXIJQCPIBEOBL-WCQYABFASA-N -1 1 376.490 1.226 20 0 GDADMM CC[C@@H](SC)C(=O)N1CCC[C@H](N(C)c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571123497 952530933 /nfs/dbraw/zinc/53/09/33/952530933.db2.gz SNXIJQCPIBEOBL-WCQYABFASA-N -1 1 376.490 1.226 20 0 GDADMM CCc1nc(NC[C@@H]2CCCN(C(=O)[C@H](F)CC)C2)cc(-c2nnn[n-]2)n1 ZINC001571123686 952530944 /nfs/dbraw/zinc/53/09/44/952530944.db2.gz UEZRTJFDDFMJHG-NWDGAFQWSA-N -1 1 376.440 1.618 20 0 GDADMM CCc1nc(NC[C@@H]2CCCN(C(=O)[C@H](F)CC)C2)cc(-c2nn[n-]n2)n1 ZINC001571123686 952530948 /nfs/dbraw/zinc/53/09/48/952530948.db2.gz UEZRTJFDDFMJHG-NWDGAFQWSA-N -1 1 376.440 1.618 20 0 GDADMM Cc1nsc(NC[C@H]2CCCN2C(=O)c2ccns2)c1-c1nn[n-]n1 ZINC001571123718 952531918 /nfs/dbraw/zinc/53/19/18/952531918.db2.gz UYQPBZXWHHYWGZ-SECBINFHSA-N -1 1 376.471 1.805 20 0 GDADMM O=C(N[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C12CCC2)c1cccnc1 ZINC001571128183 952564984 /nfs/dbraw/zinc/56/49/84/952564984.db2.gz QCFUZNHSWHRKMJ-UONOGXRCSA-N -1 1 377.412 1.205 20 0 GDADMM O=C(N[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C12CCC2)c1cccnc1 ZINC001571128183 952564988 /nfs/dbraw/zinc/56/49/88/952564988.db2.gz QCFUZNHSWHRKMJ-UONOGXRCSA-N -1 1 377.412 1.205 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)CC1)[C@@H]1CC1(F)F ZINC001571129833 952576157 /nfs/dbraw/zinc/57/61/57/952576157.db2.gz KCTFTJQAYLULOU-DCAQKATOSA-N -1 1 378.387 1.399 20 0 GDADMM O=C(N[C@H]1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)CC1)[C@@H]1CC1(F)F ZINC001571129833 952576160 /nfs/dbraw/zinc/57/61/60/952576160.db2.gz KCTFTJQAYLULOU-DCAQKATOSA-N -1 1 378.387 1.399 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC2CCC(NC(=O)[C@@H]3CC3(F)F)CC2)n1 ZINC001571129854 952577444 /nfs/dbraw/zinc/57/74/44/952577444.db2.gz KVRYORRQSSTPDX-ILDUYXDCSA-N -1 1 378.387 1.460 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC2CCC(NC(=O)[C@@H]3CC3(F)F)CC2)n1 ZINC001571129854 952577447 /nfs/dbraw/zinc/57/74/47/952577447.db2.gz KVRYORRQSSTPDX-ILDUYXDCSA-N -1 1 378.387 1.460 20 0 GDADMM O=C([C@@H]1CC1(F)F)N1CCCC[C@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001571130889 952582742 /nfs/dbraw/zinc/58/27/42/952582742.db2.gz XSHLGHWKRMYTTI-QWRGUYRKSA-N -1 1 378.387 1.495 20 0 GDADMM O=C([C@@H]1CC1(F)F)N1CCCC[C@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001571130889 952582744 /nfs/dbraw/zinc/58/27/44/952582744.db2.gz XSHLGHWKRMYTTI-QWRGUYRKSA-N -1 1 378.387 1.495 20 0 GDADMM C[C@@H](C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1ccccc1 ZINC001571134220 952587291 /nfs/dbraw/zinc/58/72/91/952587291.db2.gz CBWXZUPSWFQSKJ-UKRRQHHQSA-N -1 1 378.440 1.285 20 0 GDADMM Cc1ccccc1C(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001571134371 952589678 /nfs/dbraw/zinc/58/96/78/952589678.db2.gz HVMPFWWQKSRHHO-CQSZACIVSA-N -1 1 378.440 1.706 20 0 GDADMM Cc1ccccc1C(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001571134371 952589681 /nfs/dbraw/zinc/58/96/81/952589681.db2.gz HVMPFWWQKSRHHO-CQSZACIVSA-N -1 1 378.440 1.706 20 0 GDADMM C[C@@H]1CN(C(=O)Cc2ccccc2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571134576 952593214 /nfs/dbraw/zinc/59/32/14/952593214.db2.gz HGCPHJXSYFSMTJ-UKRRQHHQSA-N -1 1 378.440 1.406 20 0 GDADMM C[C@@H]1CN(C(=O)Cc2ccccc2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571134576 952593218 /nfs/dbraw/zinc/59/32/18/952593218.db2.gz HGCPHJXSYFSMTJ-UKRRQHHQSA-N -1 1 378.440 1.406 20 0 GDADMM Cc1ccc(C)c(C(=O)N2CC[C@@H](N(C)c3cnc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571135276 952601445 /nfs/dbraw/zinc/60/14/45/952601445.db2.gz UWQZFMJPFCIURE-CQSZACIVSA-N -1 1 378.440 1.624 20 0 GDADMM Cc1ccc(C)c(C(=O)N2CC[C@@H](N(C)c3cnc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571135276 952601448 /nfs/dbraw/zinc/60/14/48/952601448.db2.gz UWQZFMJPFCIURE-CQSZACIVSA-N -1 1 378.440 1.624 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)cc1 ZINC001571135304 952602426 /nfs/dbraw/zinc/60/24/26/952602426.db2.gz VNAZCTPGXIDNQX-DZGCQCFKSA-N -1 1 378.440 1.976 20 0 GDADMM Cc1ccc(C(=O)N[C@@H]2CC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)cc1 ZINC001571135304 952602429 /nfs/dbraw/zinc/60/24/29/952602429.db2.gz VNAZCTPGXIDNQX-DZGCQCFKSA-N -1 1 378.440 1.976 20 0 GDADMM O=C(N[C@@H]1CCCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1)c1cc[nH]c1 ZINC001571142521 952643215 /nfs/dbraw/zinc/64/32/15/952643215.db2.gz TUVJBTDSDLJCCS-SECBINFHSA-N -1 1 378.849 1.704 20 0 GDADMM O=C(N[C@@H]1CCCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1)c1cc[nH]c1 ZINC001571142521 952643217 /nfs/dbraw/zinc/64/32/17/952643217.db2.gz TUVJBTDSDLJCCS-SECBINFHSA-N -1 1 378.849 1.704 20 0 GDADMM Cc1ncccc1CC(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)[C@H]1C ZINC001571146630 952650889 /nfs/dbraw/zinc/65/08/89/952650889.db2.gz KIBGZLLPLYFMJB-TZMCWYRMSA-N -1 1 379.428 1.004 20 0 GDADMM Cc1ncccc1CC(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)[C@H]1C ZINC001571146630 952650892 /nfs/dbraw/zinc/65/08/92/952650892.db2.gz KIBGZLLPLYFMJB-TZMCWYRMSA-N -1 1 379.428 1.004 20 0 GDADMM CC1(C)CN(c2ccnc(-c3nn[n-]n3)n2)CC[C@@H]1NC(=O)c1cccnc1 ZINC001571146993 952655069 /nfs/dbraw/zinc/65/50/69/952655069.db2.gz FVXRQBFNBHENFH-ZDUSSCGKSA-N -1 1 379.428 1.087 20 0 GDADMM O=C(N[C@@H]1CCCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1)c1cccnc1 ZINC001571147098 952656413 /nfs/dbraw/zinc/65/64/13/952656413.db2.gz SVEMVAUBEJYUGX-TZMCWYRMSA-N -1 1 379.428 1.452 20 0 GDADMM O=C(N[C@@H]1CCCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1)c1cccnc1 ZINC001571147098 952656414 /nfs/dbraw/zinc/65/64/14/952656414.db2.gz SVEMVAUBEJYUGX-TZMCWYRMSA-N -1 1 379.428 1.452 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCc1ccccn1 ZINC001571147565 952662409 /nfs/dbraw/zinc/66/24/09/952662409.db2.gz NZAQVRZTYDQCDP-GXTWGEPZSA-N -1 1 379.428 1.086 20 0 GDADMM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCc1ccccn1 ZINC001571147565 952662410 /nfs/dbraw/zinc/66/24/10/952662410.db2.gz NZAQVRZTYDQCDP-GXTWGEPZSA-N -1 1 379.428 1.086 20 0 GDADMM CC[C@@H]1CN(C(=O)c2ccccn2)CC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571147761 952663284 /nfs/dbraw/zinc/66/32/84/952663284.db2.gz PPAHRHMCMAWOEF-CHWSQXEVSA-N -1 1 379.428 1.405 20 0 GDADMM CC[C@@H]1CN(C(=O)c2ccccn2)CC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571147761 952663286 /nfs/dbraw/zinc/66/32/86/952663286.db2.gz PPAHRHMCMAWOEF-CHWSQXEVSA-N -1 1 379.428 1.405 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccccn2)C[C@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001571148330 952666395 /nfs/dbraw/zinc/66/63/95/952666395.db2.gz YPLZVUXCUFVDGH-CHWSQXEVSA-N -1 1 379.428 1.262 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccccn2)C[C@H]1CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001571148330 952666398 /nfs/dbraw/zinc/66/63/98/952666398.db2.gz YPLZVUXCUFVDGH-CHWSQXEVSA-N -1 1 379.428 1.262 20 0 GDADMM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H]1CCCCN1C(=O)c1ccccn1 ZINC001571148432 952667089 /nfs/dbraw/zinc/66/70/89/952667089.db2.gz ZMCGSCCERMWLJX-IUODEOHRSA-N -1 1 379.428 1.547 20 0 GDADMM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H]1CCCCN1C(=O)c1ccccn1 ZINC001571148432 952667091 /nfs/dbraw/zinc/66/70/91/952667091.db2.gz ZMCGSCCERMWLJX-IUODEOHRSA-N -1 1 379.428 1.547 20 0 GDADMM C[C@H]1[C@@H](CO)CCN1S(=O)(=O)c1c2ccccc2sc1-c1nn[n-]n1 ZINC001571150663 952669623 /nfs/dbraw/zinc/66/96/23/952669623.db2.gz DPFXYIGKUDNPKI-VHSXEESVSA-N -1 1 379.467 1.473 20 0 GDADMM Cc1n[nH]cc1C(=O)N1CC[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571152570 952682420 /nfs/dbraw/zinc/68/24/20/952682420.db2.gz GVHJSCWARSXYNA-ZETCQYMHSA-N -1 1 379.837 1.335 20 0 GDADMM Cc1n[nH]cc1C(=O)N1CC[C@H](Nc2snc(Cl)c2-c2nn[n-]n2)C1 ZINC001571152570 952682422 /nfs/dbraw/zinc/68/24/22/952682422.db2.gz GVHJSCWARSXYNA-ZETCQYMHSA-N -1 1 379.837 1.335 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C(F)F)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571155050 952691349 /nfs/dbraw/zinc/69/13/49/952691349.db2.gz FQIRQANQGHRRMC-UWVGGRQHSA-N -1 1 380.403 1.454 20 0 GDADMM C[C@H]1CN(C(=O)C(C)(C)C(F)F)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571155050 952691353 /nfs/dbraw/zinc/69/13/53/952691353.db2.gz FQIRQANQGHRRMC-UWVGGRQHSA-N -1 1 380.403 1.454 20 0 GDADMM COCc1ccc(C(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)cc1 ZINC001571155072 952692558 /nfs/dbraw/zinc/69/25/58/952692558.db2.gz GQZRCGKLNCVJEV-AWEZNQCLSA-N -1 1 380.412 1.130 20 0 GDADMM COCc1ccc(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)cc1 ZINC001571155072 952692561 /nfs/dbraw/zinc/69/25/61/952692561.db2.gz GQZRCGKLNCVJEV-AWEZNQCLSA-N -1 1 380.412 1.130 20 0 GDADMM Cc1ccncc1CC(=O)N1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C[C@@H]1C ZINC001571156001 952699760 /nfs/dbraw/zinc/69/97/60/952699760.db2.gz ANHDHRRZXNMNTD-JSGCOSHPSA-N -1 1 379.428 1.004 20 0 GDADMM Cc1ccncc1CC(=O)N1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C[C@@H]1C ZINC001571156001 952699763 /nfs/dbraw/zinc/69/97/63/952699763.db2.gz ANHDHRRZXNMNTD-JSGCOSHPSA-N -1 1 379.428 1.004 20 0 GDADMM Cc1cnccc1C(=O)NC1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571157996 952709112 /nfs/dbraw/zinc/70/91/12/952709112.db2.gz PPLSQWQQGOPAOR-UHFFFAOYSA-N -1 1 379.428 1.149 20 0 GDADMM Cc1cnccc1C(=O)N[C@H]1CC[C@H](C)N(c2nccnc2-c2nnn[n-]2)C1 ZINC001571158924 952716480 /nfs/dbraw/zinc/71/64/80/952716480.db2.gz UKPUBYQUXRPHIR-STQMWFEESA-N -1 1 379.428 1.147 20 0 GDADMM Cc1cnccc1C(=O)N[C@H]1CC[C@H](C)N(c2nccnc2-c2nn[n-]n2)C1 ZINC001571158924 952716483 /nfs/dbraw/zinc/71/64/83/952716483.db2.gz UKPUBYQUXRPHIR-STQMWFEESA-N -1 1 379.428 1.147 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C23CCC3)co1 ZINC001571159526 952720045 /nfs/dbraw/zinc/72/00/45/952720045.db2.gz XHDSUVCOSYESFA-ZIAGYGMSSA-N -1 1 380.412 1.711 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C23CCC3)co1 ZINC001571159526 952720049 /nfs/dbraw/zinc/72/00/49/952720049.db2.gz XHDSUVCOSYESFA-ZIAGYGMSSA-N -1 1 380.412 1.711 20 0 GDADMM Cc1cc(C)nc(C(=O)N2C[C@@H](C)[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c1 ZINC001571159707 952721838 /nfs/dbraw/zinc/72/18/38/952721838.db2.gz VVHTTWVFBSNGSM-IAQYHMDHSA-N -1 1 379.428 1.241 20 0 GDADMM Cc1cc(C)nc(C(=O)N2C[C@@H](C)[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)c1 ZINC001571159707 952721844 /nfs/dbraw/zinc/72/18/44/952721844.db2.gz VVHTTWVFBSNGSM-IAQYHMDHSA-N -1 1 379.428 1.241 20 0 GDADMM Cc1cc(C(=O)N2CCC(C)(Nc3ccc(-c4nnn[n-]4)nn3)CC2)ccn1 ZINC001571160254 952723991 /nfs/dbraw/zinc/72/39/91/952723991.db2.gz XOGIIDDPEFWJGV-UHFFFAOYSA-N -1 1 379.428 1.467 20 0 GDADMM Cc1cc(C(=O)N2CCC(C)(Nc3ccc(-c4nn[n-]n4)nn3)CC2)ccn1 ZINC001571160254 952723993 /nfs/dbraw/zinc/72/39/93/952723993.db2.gz XOGIIDDPEFWJGV-UHFFFAOYSA-N -1 1 379.428 1.467 20 0 GDADMM Cc1cocc1C(=O)N[C@@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C12CCC2 ZINC001571161277 952731915 /nfs/dbraw/zinc/73/19/15/952731915.db2.gz UEAMOKIBFNCSBR-CHWSQXEVSA-N -1 1 380.412 1.133 20 0 GDADMM COc1ncc(NC(=O)N[C@]2(CO)CCc3ccccc32)cc1-c1nn[n-]n1 ZINC001571169974 952781638 /nfs/dbraw/zinc/78/16/38/952781638.db2.gz BFWPFIFHGLGTAC-SFHVURJKSA-N -1 1 381.396 1.226 20 0 GDADMM COC(=O)[C@@H](C)[C@@H](NC(=O)Nc1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001571170806 952788707 /nfs/dbraw/zinc/78/87/07/952788707.db2.gz LQCPWKUDBZVHMN-XHDPSFHLSA-N -1 1 381.396 1.934 20 0 GDADMM COC(=O)[C@@H](C)[C@@H](NC(=O)Nc1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001571170806 952788714 /nfs/dbraw/zinc/78/87/14/952788714.db2.gz LQCPWKUDBZVHMN-XHDPSFHLSA-N -1 1 381.396 1.934 20 0 GDADMM O=C([C@@H]1CCCC12CC2)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001571171530 952793708 /nfs/dbraw/zinc/79/37/08/952793708.db2.gz BQPVMOHSUGJEDR-MJBXVCDLSA-N -1 1 380.456 1.417 20 0 GDADMM O=C([C@@H]1CCCC12CC2)N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001571171530 952793712 /nfs/dbraw/zinc/79/37/12/952793712.db2.gz BQPVMOHSUGJEDR-MJBXVCDLSA-N -1 1 380.456 1.417 20 0 GDADMM C[C@@]1(NC(=O)c2ccon2)CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571171738 952797424 /nfs/dbraw/zinc/79/74/24/952797424.db2.gz FNGSXVACUWACHU-CYBMUJFWSA-N -1 1 380.821 1.363 20 0 GDADMM C[C@@]1(NC(=O)c2ccon2)CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1 ZINC001571171738 952797429 /nfs/dbraw/zinc/79/74/29/952797429.db2.gz FNGSXVACUWACHU-CYBMUJFWSA-N -1 1 380.821 1.363 20 0 GDADMM COC(=O)c1ccc(NCc2cccc(C(=O)N(C)C)c2)c(-c2nnn[n-]2)n1 ZINC001571171833 952797696 /nfs/dbraw/zinc/79/76/96/952797696.db2.gz XYMJWHYLLRQXGB-UHFFFAOYSA-N -1 1 381.396 1.362 20 0 GDADMM COC(=O)c1ccc(NCc2cccc(C(=O)N(C)C)c2)c(-c2nn[n-]n2)n1 ZINC001571171833 952797697 /nfs/dbraw/zinc/79/76/97/952797697.db2.gz XYMJWHYLLRQXGB-UHFFFAOYSA-N -1 1 381.396 1.362 20 0 GDADMM O=C(NC[C@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1)c1cnco1 ZINC001571171866 952797924 /nfs/dbraw/zinc/79/79/24/952797924.db2.gz HDMHWDMUFCKELA-SSDOTTSWSA-N -1 1 380.821 1.221 20 0 GDADMM O=C(NC[C@H]1CCN(c2nc(Cl)c(-c3nn[n-]n3)s2)C1)c1cnco1 ZINC001571171866 952797930 /nfs/dbraw/zinc/79/79/30/952797930.db2.gz HDMHWDMUFCKELA-SSDOTTSWSA-N -1 1 380.821 1.221 20 0 GDADMM C[C@H]1C[C@@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CN1C(=O)c1cnco1 ZINC001571172312 952805284 /nfs/dbraw/zinc/80/52/84/952805284.db2.gz SMGAYVSEWCHTHE-NKWVEPMBSA-N -1 1 380.821 1.680 20 0 GDADMM O=C(NC[C@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1)c1cocn1 ZINC001571172337 952805534 /nfs/dbraw/zinc/80/55/34/952805534.db2.gz SSZOUFMIDCAYCW-SSDOTTSWSA-N -1 1 380.821 1.221 20 0 GDADMM C[C@@H]1C[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)CN1C(=O)c1cnco1 ZINC001571172314 952805790 /nfs/dbraw/zinc/80/57/90/952805790.db2.gz SMGAYVSEWCHTHE-RQJHMYQMSA-N -1 1 380.821 1.680 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1cncc(-c2nnn[n-]2)n1)n1cccc1 ZINC001571180556 952860593 /nfs/dbraw/zinc/86/05/93/952860593.db2.gz QSEGCLXVSVHKSN-MGPQQGTHSA-N -1 1 381.444 1.559 20 0 GDADMM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1cncc(-c2nn[n-]n2)n1)n1cccc1 ZINC001571180556 952860598 /nfs/dbraw/zinc/86/05/98/952860598.db2.gz QSEGCLXVSVHKSN-MGPQQGTHSA-N -1 1 381.444 1.559 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)c3cc[nH]c3)C[C@H]2C)n1 ZINC001571183655 952880995 /nfs/dbraw/zinc/88/09/95/952880995.db2.gz GZDUQPXGIUFAHY-YPMHNXCESA-N -1 1 381.444 1.335 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)c3cc[nH]c3)C[C@H]2C)n1 ZINC001571183655 952880998 /nfs/dbraw/zinc/88/09/98/952880998.db2.gz GZDUQPXGIUFAHY-YPMHNXCESA-N -1 1 381.444 1.335 20 0 GDADMM CC(C)n1cccc1C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)[C@H]1C ZINC001571183830 952883392 /nfs/dbraw/zinc/88/33/92/952883392.db2.gz KNZJITJJDWZDPZ-OLZOCXBDSA-N -1 1 381.444 1.754 20 0 GDADMM CC(C)n1cccc1C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)[C@H]1C ZINC001571183830 952883394 /nfs/dbraw/zinc/88/33/94/952883394.db2.gz KNZJITJJDWZDPZ-OLZOCXBDSA-N -1 1 381.444 1.754 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)n1cccc1 ZINC001571184063 952886781 /nfs/dbraw/zinc/88/67/81/952886781.db2.gz PLMVRTDPQBEGEQ-KGLIPLIRSA-N -1 1 381.444 1.512 20 0 GDADMM C[C@H](CC(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)n1cccc1 ZINC001571184063 952886784 /nfs/dbraw/zinc/88/67/84/952886784.db2.gz PLMVRTDPQBEGEQ-KGLIPLIRSA-N -1 1 381.444 1.512 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCCN(C(=O)Cc3ccc[nH]3)C2)n1 ZINC001571184838 952897556 /nfs/dbraw/zinc/89/75/56/952897556.db2.gz FBQSZDPLCRMDGR-CYBMUJFWSA-N -1 1 381.444 1.186 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCCN(C(=O)Cc3ccc[nH]3)C2)n1 ZINC001571184838 952897566 /nfs/dbraw/zinc/89/75/66/952897566.db2.gz FBQSZDPLCRMDGR-CYBMUJFWSA-N -1 1 381.444 1.186 20 0 GDADMM CCn1cccc1C(=O)NC[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571184974 952898531 /nfs/dbraw/zinc/89/85/31/952898531.db2.gz GBLOEWKKSHQOPN-CYBMUJFWSA-N -1 1 381.444 1.125 20 0 GDADMM CCn1cccc1C(=O)NC[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571184974 952898537 /nfs/dbraw/zinc/89/85/37/952898537.db2.gz GBLOEWKKSHQOPN-CYBMUJFWSA-N -1 1 381.444 1.125 20 0 GDADMM Cc1[nH]ccc1C(=O)N[C@@H](C)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571185017 952899102 /nfs/dbraw/zinc/89/91/02/952899102.db2.gz GSKFCIQKCSJFIW-WCQYABFASA-N -1 1 381.444 1.328 20 0 GDADMM Cc1[nH]ccc1C(=O)N[C@@H](C)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571185017 952899107 /nfs/dbraw/zinc/89/91/07/952899107.db2.gz GSKFCIQKCSJFIW-WCQYABFASA-N -1 1 381.444 1.328 20 0 GDADMM Cc1cc(C)c(C(=O)N2CC[C@H](CNc3nc(C)cc(-c4nnn[n-]4)n3)C2)[nH]1 ZINC001571185162 952901261 /nfs/dbraw/zinc/90/12/61/952901261.db2.gz JAKYHHASPBWTOW-CYBMUJFWSA-N -1 1 381.444 1.484 20 0 GDADMM Cc1cc(C)c(C(=O)N2CC[C@H](CNc3nc(C)cc(-c4nn[n-]n4)n3)C2)[nH]1 ZINC001571185162 952901263 /nfs/dbraw/zinc/90/12/63/952901263.db2.gz JAKYHHASPBWTOW-CYBMUJFWSA-N -1 1 381.444 1.484 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CCC[C@H](C)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571185575 952902253 /nfs/dbraw/zinc/90/22/53/952902253.db2.gz NDAKPNIEBDNPJJ-XHDPSFHLSA-N -1 1 381.444 1.646 20 0 GDADMM Cc1c[nH]cc1C(=O)N1CCC[C@H](C)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571185575 952902257 /nfs/dbraw/zinc/90/22/57/952902257.db2.gz NDAKPNIEBDNPJJ-XHDPSFHLSA-N -1 1 381.444 1.646 20 0 GDADMM Cc1[nH]ccc1C(=O)N[C@@H]1CC[C@@H](C)N(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571186287 952906642 /nfs/dbraw/zinc/90/66/42/952906642.db2.gz VLPQKQZUSLWRMO-DGCLKSJQSA-N -1 1 381.444 1.389 20 0 GDADMM Cc1[nH]ccc1C(=O)N[C@@H]1CC[C@@H](C)N(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571186287 952906645 /nfs/dbraw/zinc/90/66/45/952906645.db2.gz VLPQKQZUSLWRMO-DGCLKSJQSA-N -1 1 381.444 1.389 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@](C)(CNc3nccnc3-c3nnn[n-]3)C2)n1C ZINC001571187918 952910103 /nfs/dbraw/zinc/91/01/03/952910103.db2.gz CRIBBWBLQNTVSK-GOSISDBHSA-N -1 1 381.444 1.268 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@](C)(CNc3nccnc3-c3nn[n-]n3)C2)n1C ZINC001571187918 952910105 /nfs/dbraw/zinc/91/01/05/952910105.db2.gz CRIBBWBLQNTVSK-GOSISDBHSA-N -1 1 381.444 1.268 20 0 GDADMM Cc1ccc(C(=O)NC[C@H]2CCCCN2c2ccc(-c3nnn[n-]3)nn2)n1C ZINC001571188009 952911242 /nfs/dbraw/zinc/91/12/42/952911242.db2.gz FODXRVYFUGVPAX-CYBMUJFWSA-N -1 1 381.444 1.093 20 0 GDADMM Cc1ccc(C(=O)NC[C@H]2CCCCN2c2ccc(-c3nn[n-]n3)nn2)n1C ZINC001571188009 952911247 /nfs/dbraw/zinc/91/12/47/952911247.db2.gz FODXRVYFUGVPAX-CYBMUJFWSA-N -1 1 381.444 1.093 20 0 GDADMM Cc1cc[nH]c1C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C ZINC001571188112 952911716 /nfs/dbraw/zinc/91/17/16/952911716.db2.gz FOWWECCBVDVRNR-ZDUSSCGKSA-N -1 1 381.444 1.328 20 0 GDADMM Cc1cc[nH]c1C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1(C)C ZINC001571188112 952911717 /nfs/dbraw/zinc/91/17/17/952911717.db2.gz FOWWECCBVDVRNR-ZDUSSCGKSA-N -1 1 381.444 1.328 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)[C@@H]2C)[nH]1 ZINC001571188330 952913476 /nfs/dbraw/zinc/91/34/76/952913476.db2.gz IQQXZSJCKFTZSH-CHWSQXEVSA-N -1 1 381.444 1.389 20 0 GDADMM Cc1cc(C)c(C(=O)N[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)[C@@H]2C)[nH]1 ZINC001571188330 952913481 /nfs/dbraw/zinc/91/34/81/952913481.db2.gz IQQXZSJCKFTZSH-CHWSQXEVSA-N -1 1 381.444 1.389 20 0 GDADMM Cc1ccn(C)c1C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)[C@H](C)C1 ZINC001571189062 952924026 /nfs/dbraw/zinc/92/40/26/952924026.db2.gz RHSMLOXJVSBMRD-OLZOCXBDSA-N -1 1 381.444 1.266 20 0 GDADMM Cc1ccn(C)c1C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)[C@H](C)C1 ZINC001571189062 952924030 /nfs/dbraw/zinc/92/40/30/952924030.db2.gz RHSMLOXJVSBMRD-OLZOCXBDSA-N -1 1 381.444 1.266 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)[C@@H](C)C2)n1C ZINC001571189378 952929071 /nfs/dbraw/zinc/92/90/71/952929071.db2.gz VUWJMWRPXAFTRW-STQMWFEESA-N -1 1 381.444 1.091 20 0 GDADMM O=C(Cc1ccc[nH]1)N1CCC(CCNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571189780 952935083 /nfs/dbraw/zinc/93/50/83/952935083.db2.gz UPWVKHDYRSPAQW-UHFFFAOYSA-N -1 1 381.444 1.268 20 0 GDADMM O=C(Cc1ccc[nH]1)N1CCC(CCNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571189780 952935087 /nfs/dbraw/zinc/93/50/87/952935087.db2.gz UPWVKHDYRSPAQW-UHFFFAOYSA-N -1 1 381.444 1.268 20 0 GDADMM O=C(C1CC1)N1C[C@H](C(F)(F)F)[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571194252 952959880 /nfs/dbraw/zinc/95/98/80/952959880.db2.gz JNFXUDIGQFJYQD-UWVGGRQHSA-N -1 1 382.350 1.116 20 0 GDADMM O=C(C1CC1)N1C[C@H](C(F)(F)F)[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571194252 952959883 /nfs/dbraw/zinc/95/98/83/952959883.db2.gz JNFXUDIGQFJYQD-UWVGGRQHSA-N -1 1 382.350 1.116 20 0 GDADMM Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N[C@H](c1cnn(C)c1)C(F)(F)F ZINC001571195091 952973176 /nfs/dbraw/zinc/97/31/76/952973176.db2.gz YCNAXBFYVSHHMH-SNVBAGLBSA-N -1 1 382.306 1.043 20 0 GDADMM CC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001571195688 952978121 /nfs/dbraw/zinc/97/81/21/952978121.db2.gz DIVDKOZXGHWSAP-UHFFFAOYSA-N -1 1 382.403 1.903 20 0 GDADMM CC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001571195688 952978128 /nfs/dbraw/zinc/97/81/28/952978128.db2.gz DIVDKOZXGHWSAP-UHFFFAOYSA-N -1 1 382.403 1.903 20 0 GDADMM Cc1cc(F)ccc1C(=O)N1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C[C@@H]1C ZINC001571195984 952979258 /nfs/dbraw/zinc/97/92/58/952979258.db2.gz GKVWPVNLQPRHRY-AAEUAGOBSA-N -1 1 382.403 1.819 20 0 GDADMM Cc1cc(F)ccc1C(=O)N1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C[C@@H]1C ZINC001571195984 952979260 /nfs/dbraw/zinc/97/92/60/952979260.db2.gz GKVWPVNLQPRHRY-AAEUAGOBSA-N -1 1 382.403 1.819 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@@H]2C)c(F)c1 ZINC001571196672 952983718 /nfs/dbraw/zinc/98/37/18/952983718.db2.gz MBQBVLXSRGKMPR-FZMZJTMJSA-N -1 1 382.403 1.819 20 0 GDADMM Cc1ccc(C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)[C@@H]2C)c(F)c1 ZINC001571196672 952983721 /nfs/dbraw/zinc/98/37/21/952983721.db2.gz MBQBVLXSRGKMPR-FZMZJTMJSA-N -1 1 382.403 1.819 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)c3ccc(F)cc3)[C@@H]2C)n1 ZINC001571197293 952988141 /nfs/dbraw/zinc/98/81/41/952988141.db2.gz VQGWRLHJJADHRJ-RISCZKNCSA-N -1 1 382.403 1.819 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)c3ccc(F)cc3)[C@@H]2C)n1 ZINC001571197293 952988147 /nfs/dbraw/zinc/98/81/47/952988147.db2.gz VQGWRLHJJADHRJ-RISCZKNCSA-N -1 1 382.403 1.819 20 0 GDADMM Cc1cc(F)ccc1C(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571197378 952989757 /nfs/dbraw/zinc/98/97/57/952989757.db2.gz YHOGFLOYWJAVET-LBPRGKRZSA-N -1 1 382.403 1.361 20 0 GDADMM Cc1cc(F)ccc1C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571197378 952989761 /nfs/dbraw/zinc/98/97/61/952989761.db2.gz YHOGFLOYWJAVET-LBPRGKRZSA-N -1 1 382.403 1.361 20 0 GDADMM CCc1occc1C(=O)N[C@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571198867 952993351 /nfs/dbraw/zinc/99/33/51/952993351.db2.gz HOMVRAQGCIVBBI-RYUDHWBXSA-N -1 1 382.428 1.823 20 0 GDADMM CCc1occc1C(=O)N[C@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571198867 952993354 /nfs/dbraw/zinc/99/33/54/952993354.db2.gz HOMVRAQGCIVBBI-RYUDHWBXSA-N -1 1 382.428 1.823 20 0 GDADMM CCc1occc1C(=O)N[C@H]1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571198863 952994050 /nfs/dbraw/zinc/99/40/50/952994050.db2.gz HOMVRAQGCIVBBI-NEPJUHHUSA-N -1 1 382.428 1.823 20 0 GDADMM CCc1occc1C(=O)N[C@H]1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571198863 952994055 /nfs/dbraw/zinc/99/40/55/952994055.db2.gz HOMVRAQGCIVBBI-NEPJUHHUSA-N -1 1 382.428 1.823 20 0 GDADMM Cc1occc1C(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001571198986 952994784 /nfs/dbraw/zinc/99/47/84/952994784.db2.gz JNTRDFAVGOZQSV-DGCLKSJQSA-N -1 1 382.428 1.654 20 0 GDADMM Cc1occc1C(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001571198986 952994787 /nfs/dbraw/zinc/99/47/87/952994787.db2.gz JNTRDFAVGOZQSV-DGCLKSJQSA-N -1 1 382.428 1.654 20 0 GDADMM CCc1occc1C(=O)NC1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571199641 953002860 /nfs/dbraw/zinc/00/28/60/953002860.db2.gz XGICOHLIMHIBLC-UHFFFAOYSA-N -1 1 382.428 1.965 20 0 GDADMM CCc1occc1C(=O)NC1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571199641 953002865 /nfs/dbraw/zinc/00/28/65/953002865.db2.gz XGICOHLIMHIBLC-UHFFFAOYSA-N -1 1 382.428 1.965 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@H](N(C)c3ccc(-c4nnn[n-]4)nn3)C2)c(C)o1 ZINC001571200772 953011842 /nfs/dbraw/zinc/01/18/42/953011842.db2.gz GAABRTRBNCIWJH-ZDUSSCGKSA-N -1 1 382.428 1.608 20 0 GDADMM Cc1cc(C(=O)N2CCC[C@H](N(C)c3ccc(-c4nn[n-]n4)nn3)C2)c(C)o1 ZINC001571200772 953011843 /nfs/dbraw/zinc/01/18/43/953011843.db2.gz GAABRTRBNCIWJH-ZDUSSCGKSA-N -1 1 382.428 1.608 20 0 GDADMM Cc1ccoc1CC(=O)N1C[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C[C@@H]1C ZINC001571200846 953013309 /nfs/dbraw/zinc/01/33/09/953013309.db2.gz GRWBRAMYKOUMGE-QWHCGFSZSA-N -1 1 382.428 1.511 20 0 GDADMM Cc1ccoc1CC(=O)N1C[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C[C@@H]1C ZINC001571200846 953013316 /nfs/dbraw/zinc/01/33/16/953013316.db2.gz GRWBRAMYKOUMGE-QWHCGFSZSA-N -1 1 382.428 1.511 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)CC2)c(C)o1 ZINC001571201774 953019522 /nfs/dbraw/zinc/01/95/22/953019522.db2.gz OBALKEXSJGNRID-CYBMUJFWSA-N -1 1 382.428 1.655 20 0 GDADMM Cc1ccc(CC(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)[C@H]2C)o1 ZINC001571201708 953019771 /nfs/dbraw/zinc/01/97/71/953019771.db2.gz NJFINQRUUCMUMO-GXTWGEPZSA-N -1 1 382.428 1.274 20 0 GDADMM Cc1ccc(CC(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)[C@H]2C)o1 ZINC001571201708 953019774 /nfs/dbraw/zinc/01/97/74/953019774.db2.gz NJFINQRUUCMUMO-GXTWGEPZSA-N -1 1 382.428 1.274 20 0 GDADMM Cc1cocc1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1(C)C ZINC001571201855 953020860 /nfs/dbraw/zinc/02/08/60/953020860.db2.gz OQEVRXONMDMHRI-AWEZNQCLSA-N -1 1 382.428 1.593 20 0 GDADMM Cc1cocc1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1(C)C ZINC001571201855 953020863 /nfs/dbraw/zinc/02/08/63/953020863.db2.gz OQEVRXONMDMHRI-AWEZNQCLSA-N -1 1 382.428 1.593 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CC[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)oc1C ZINC001571202763 953029057 /nfs/dbraw/zinc/02/90/57/953029057.db2.gz YGESWJAGRSVCIY-QWHCGFSZSA-N -1 1 382.428 1.877 20 0 GDADMM Cc1cc(C(=O)N[C@@H]2CC[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)oc1C ZINC001571202763 953029064 /nfs/dbraw/zinc/02/90/64/953029064.db2.gz YGESWJAGRSVCIY-QWHCGFSZSA-N -1 1 382.428 1.877 20 0 GDADMM Cc1oc(C)c(C(=O)N2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C[C@H]2C)c1C ZINC001571205353 953036899 /nfs/dbraw/zinc/03/68/99/953036899.db2.gz HYTBTVOKGRWEAT-NOZJJQNGSA-N -1 1 382.428 1.890 20 0 GDADMM Cc1oc(C)c(C(=O)N2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C[C@H]2C)c1C ZINC001571205353 953036902 /nfs/dbraw/zinc/03/69/02/953036902.db2.gz HYTBTVOKGRWEAT-NOZJJQNGSA-N -1 1 382.428 1.890 20 0 GDADMM CCc1cc(C(=O)N[C@@H]2CCCC[C@H]2Nc2ccc(-c3nnn[n-]3)nn2)[nH]n1 ZINC001571205494 953039428 /nfs/dbraw/zinc/03/94/28/953039428.db2.gz KEMOTADJZGPTBY-VXGBXAGGSA-N -1 1 382.432 1.095 20 0 GDADMM CCc1cc(C(=O)N[C@@H]2CCCC[C@H]2Nc2ccc(-c3nn[n-]n3)nn2)[nH]n1 ZINC001571205494 953039434 /nfs/dbraw/zinc/03/94/34/953039434.db2.gz KEMOTADJZGPTBY-VXGBXAGGSA-N -1 1 382.432 1.095 20 0 GDADMM Cc1oc(C)c(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@H]2C)c1C ZINC001571205795 953042061 /nfs/dbraw/zinc/04/20/61/953042061.db2.gz MBWBEDYUZKVPFD-ZWNOBZJWSA-N -1 1 382.428 1.890 20 0 GDADMM Cc1oc(C)c(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)[C@H]2C)c1C ZINC001571205795 953042066 /nfs/dbraw/zinc/04/20/66/953042066.db2.gz MBWBEDYUZKVPFD-ZWNOBZJWSA-N -1 1 382.428 1.890 20 0 GDADMM CC(C)n1nccc1C(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571206620 953053179 /nfs/dbraw/zinc/05/31/79/953053179.db2.gz VRMLOAKHZNGWEY-HAQNSBGRSA-N -1 1 382.432 1.055 20 0 GDADMM CC(C)n1nccc1C(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571206620 953053181 /nfs/dbraw/zinc/05/31/81/953053181.db2.gz VRMLOAKHZNGWEY-HAQNSBGRSA-N -1 1 382.432 1.055 20 0 GDADMM Cc1c[nH]c(C(=O)N2CCCC[C@H]2[C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)n1 ZINC001571207041 953058800 /nfs/dbraw/zinc/05/88/00/953058800.db2.gz LTOKSEGCKMFDMG-YPMHNXCESA-N -1 1 382.432 1.184 20 0 GDADMM Cc1c[nH]c(C(=O)N2CCCC[C@H]2[C@@H](C)Nc2ccc(-c3nn[n-]n3)nn2)n1 ZINC001571207041 953058804 /nfs/dbraw/zinc/05/88/04/953058804.db2.gz LTOKSEGCKMFDMG-YPMHNXCESA-N -1 1 382.432 1.184 20 0 GDADMM CCC1(C(=O)N2C[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@@]3(C)C2)CCC1 ZINC001571211598 953078994 /nfs/dbraw/zinc/07/89/94/953078994.db2.gz CPTOCOARIPBREI-ACJLOTCBSA-N -1 1 382.472 1.522 20 0 GDADMM CCC1(C(=O)N2C[C@H]3CN(c4cnc(-c5nn[n-]n5)cn4)C[C@@]3(C)C2)CCC1 ZINC001571211598 953078996 /nfs/dbraw/zinc/07/89/96/953078996.db2.gz CPTOCOARIPBREI-ACJLOTCBSA-N -1 1 382.472 1.522 20 0 GDADMM CC(C)[C@H]1C[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571212062 953083743 /nfs/dbraw/zinc/08/37/43/953083743.db2.gz IDCPUUOEEAXADT-LXTVHRRPSA-N -1 1 382.472 1.519 20 0 GDADMM C[C@@H]1C[C@@H](NC(=O)C2CC3(CCC3)C2)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571212087 953083961 /nfs/dbraw/zinc/08/39/61/953083961.db2.gz IPLHBPNUMQIGMI-OCCSQVGLSA-N -1 1 382.472 1.711 20 0 GDADMM C[C@@H]1C[C@@H](NC(=O)C2CC3(CCC3)C2)CCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001571212087 953083965 /nfs/dbraw/zinc/08/39/65/953083965.db2.gz IPLHBPNUMQIGMI-OCCSQVGLSA-N -1 1 382.472 1.711 20 0 GDADMM CN(C(=O)[C@@H]1CC2CCC1CC2)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571212597 953088848 /nfs/dbraw/zinc/08/88/48/953088848.db2.gz NKRIKEXQWQHBSH-PFSRBDOWSA-N -1 1 382.472 1.520 20 0 GDADMM CN(C(=O)[C@@H]1CC2CCC1CC2)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571212597 953088851 /nfs/dbraw/zinc/08/88/51/953088851.db2.gz NKRIKEXQWQHBSH-PFSRBDOWSA-N -1 1 382.472 1.520 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)C3(C4CC4)CC3)C[C@H]2C)n1 ZINC001571212914 953091445 /nfs/dbraw/zinc/09/14/45/953091445.db2.gz OBAYRMQBFCXNCB-OCCSQVGLSA-N -1 1 382.472 1.629 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)C3(C4CC4)CC3)C[C@H]2C)n1 ZINC001571212914 953091448 /nfs/dbraw/zinc/09/14/48/953091448.db2.gz OBAYRMQBFCXNCB-OCCSQVGLSA-N -1 1 382.472 1.629 20 0 GDADMM Cc1nc(C)c(C(=O)N[C@@H]2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)[nH]1 ZINC001571213080 953092444 /nfs/dbraw/zinc/09/24/44/953092444.db2.gz QLGFNKZVGFEUMI-VXGBXAGGSA-N -1 1 382.432 1.150 20 0 GDADMM Cc1nc(C)c(C(=O)N[C@@H]2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)[nH]1 ZINC001571213080 953092448 /nfs/dbraw/zinc/09/24/48/953092448.db2.gz QLGFNKZVGFEUMI-VXGBXAGGSA-N -1 1 382.432 1.150 20 0 GDADMM CC1(C)CC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001571213001 953092748 /nfs/dbraw/zinc/09/27/48/953092748.db2.gz PIWBUSKEPNWTRI-RDBSUJKOSA-N -1 1 382.472 1.663 20 0 GDADMM CC1(C)CC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001571213001 953092753 /nfs/dbraw/zinc/09/27/53/953092753.db2.gz PIWBUSKEPNWTRI-RDBSUJKOSA-N -1 1 382.472 1.663 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N1CCC2(C1)CCN(c1cncc(-c3nnn[n-]3)n1)CC2 ZINC001571214365 953101951 /nfs/dbraw/zinc/10/19/51/953101951.db2.gz XWQVNBQOAWDLTO-CYBMUJFWSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)C[C@@H]1C(=O)N1CCC2(C1)CCN(c1cncc(-c3nn[n-]n3)n1)CC2 ZINC001571214365 953101955 /nfs/dbraw/zinc/10/19/55/953101955.db2.gz XWQVNBQOAWDLTO-CYBMUJFWSA-N -1 1 382.472 1.522 20 0 GDADMM CC1(C)CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1NC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001571214461 953102820 /nfs/dbraw/zinc/10/28/20/953102820.db2.gz ZAKLTIABYWCIBU-YDHLFZDLSA-N -1 1 382.472 1.424 20 0 GDADMM CC1(C)CN(c2cncc(-c3nn[n-]n3)n2)C[C@@H]1NC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001571214461 953102826 /nfs/dbraw/zinc/10/28/26/953102826.db2.gz ZAKLTIABYWCIBU-YDHLFZDLSA-N -1 1 382.472 1.424 20 0 GDADMM O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CC[C@@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571217257 953106121 /nfs/dbraw/zinc/10/61/21/953106121.db2.gz DEPIJRCCCFXRIY-WVZRYYJFSA-N -1 1 382.472 1.743 20 0 GDADMM O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CC[C@@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571217257 953106125 /nfs/dbraw/zinc/10/61/25/953106125.db2.gz DEPIJRCCCFXRIY-WVZRYYJFSA-N -1 1 382.472 1.743 20 0 GDADMM O=C(NC[C@@H]1CCCCCN1c1nccnc1-c1nnn[n-]1)[C@@H]1CC12CCC2 ZINC001571217686 953109815 /nfs/dbraw/zinc/10/98/15/953109815.db2.gz IFCSCHYDBVMHFH-KBPBESRZSA-N -1 1 382.472 1.712 20 0 GDADMM O=C(NC[C@@H]1CCCCCN1c1nccnc1-c1nn[n-]n1)[C@@H]1CC12CCC2 ZINC001571217686 953109816 /nfs/dbraw/zinc/10/98/16/953109816.db2.gz IFCSCHYDBVMHFH-KBPBESRZSA-N -1 1 382.472 1.712 20 0 GDADMM CC1(C)CN(C(=O)c2ccncc2F)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571218241 953113718 /nfs/dbraw/zinc/11/37/18/953113718.db2.gz TURKQZUSHUQZIL-ZDUSSCGKSA-N -1 1 383.391 1.154 20 0 GDADMM CC1(C)CN(C(=O)c2ccncc2F)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571218241 953113719 /nfs/dbraw/zinc/11/37/19/953113719.db2.gz TURKQZUSHUQZIL-ZDUSSCGKSA-N -1 1 383.391 1.154 20 0 GDADMM O=C([C@H]1CC2CCC1CC2)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571218472 953115454 /nfs/dbraw/zinc/11/54/54/953115454.db2.gz OVHOTRZMNKGFJJ-SHWKFHJASA-N -1 1 382.472 1.743 20 0 GDADMM O=C([C@H]1CC2CCC1CC2)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571218472 953115457 /nfs/dbraw/zinc/11/54/57/953115457.db2.gz OVHOTRZMNKGFJJ-SHWKFHJASA-N -1 1 382.472 1.743 20 0 GDADMM O=C(N[C@H]1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1)c1ccncc1F ZINC001571218599 953117076 /nfs/dbraw/zinc/11/70/76/953117076.db2.gz CATUCDYZIARPAI-MNOVXSKESA-N -1 1 383.391 1.201 20 0 GDADMM O=C(N[C@H]1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1)c1ccncc1F ZINC001571218599 953117079 /nfs/dbraw/zinc/11/70/79/953117079.db2.gz CATUCDYZIARPAI-MNOVXSKESA-N -1 1 383.391 1.201 20 0 GDADMM O=C(CC1CC1)N1CCC2(CC1)CCN(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571218937 953120743 /nfs/dbraw/zinc/12/07/43/953120743.db2.gz SPFCUQSWOHWPCJ-UHFFFAOYSA-N -1 1 382.472 1.666 20 0 GDADMM O=C(CC1CC1)N1CCC2(CC1)CCN(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001571218937 953120745 /nfs/dbraw/zinc/12/07/45/953120745.db2.gz SPFCUQSWOHWPCJ-UHFFFAOYSA-N -1 1 382.472 1.666 20 0 GDADMM COc1cnc(C(C)(C)NC(=O)CCc2ccc(-c3nn[nH]n3)cc2)[n-]c1=O ZINC001571219741 953126597 /nfs/dbraw/zinc/12/65/97/953126597.db2.gz RRDJZKTXUVKMSL-UHFFFAOYSA-N -1 1 383.412 1.355 20 0 GDADMM O=C(N[C@H]1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1ncccc1F ZINC001571219706 953126787 /nfs/dbraw/zinc/12/67/87/953126787.db2.gz QRGOGKXCQLGLPV-MNOVXSKESA-N -1 1 383.391 1.201 20 0 GDADMM O=C(N[C@H]1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1ncccc1F ZINC001571219706 953126789 /nfs/dbraw/zinc/12/67/89/953126789.db2.gz QRGOGKXCQLGLPV-MNOVXSKESA-N -1 1 383.391 1.201 20 0 GDADMM CN(CCC1CCN(C(=O)c2ccon2)CC1)c1nccnc1-c1nnn[n-]1 ZINC001571222478 953134919 /nfs/dbraw/zinc/13/49/19/953134919.db2.gz GHXPLWPWAXMNBX-UHFFFAOYSA-N -1 1 383.416 1.023 20 0 GDADMM CN(CCC1CCN(C(=O)c2ccon2)CC1)c1nccnc1-c1nn[n-]n1 ZINC001571222478 953134923 /nfs/dbraw/zinc/13/49/23/953134923.db2.gz GHXPLWPWAXMNBX-UHFFFAOYSA-N -1 1 383.416 1.023 20 0 GDADMM CCc1nc(C(=O)N2CCC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c(C)o1 ZINC001571222885 953139313 /nfs/dbraw/zinc/13/93/13/953139313.db2.gz MSXMGLDQKWXIFX-LLVKDONJSA-N -1 1 383.416 1.232 20 0 GDADMM CCc1nc(C(=O)N2CCC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c(C)o1 ZINC001571222885 953139315 /nfs/dbraw/zinc/13/93/15/953139315.db2.gz MSXMGLDQKWXIFX-LLVKDONJSA-N -1 1 383.416 1.232 20 0 GDADMM CC[C@H]1CN(C(=O)c2ccon2)CC[C@@H]1Nc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001571223154 953141761 /nfs/dbraw/zinc/14/17/61/953141761.db2.gz ONIBBJXYEKUQEM-RYUDHWBXSA-N -1 1 383.416 1.306 20 0 GDADMM CC[C@H]1CN(C(=O)c2ccon2)CC[C@@H]1Nc1nc(C)cc(-c2nn[n-]n2)n1 ZINC001571223154 953141763 /nfs/dbraw/zinc/14/17/63/953141763.db2.gz ONIBBJXYEKUQEM-RYUDHWBXSA-N -1 1 383.416 1.306 20 0 GDADMM CCc1nc(C(=O)N2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C(C)(C)C2)co1 ZINC001571223952 953147844 /nfs/dbraw/zinc/14/78/44/953147844.db2.gz WEBGXPZRWCTEAN-LLVKDONJSA-N -1 1 383.416 1.170 20 0 GDADMM CCc1nc(C(=O)N2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C(C)(C)C2)co1 ZINC001571223952 953147846 /nfs/dbraw/zinc/14/78/46/953147846.db2.gz WEBGXPZRWCTEAN-LLVKDONJSA-N -1 1 383.416 1.170 20 0 GDADMM Cc1nc(C)c(C(=O)N[C@@H]2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)o1 ZINC001571224735 953150673 /nfs/dbraw/zinc/15/06/73/953150673.db2.gz FGYPMJLDHSRALA-VXGBXAGGSA-N -1 1 383.416 1.415 20 0 GDADMM Cc1nc(C)c(C(=O)N[C@@H]2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)o1 ZINC001571224735 953150675 /nfs/dbraw/zinc/15/06/75/953150675.db2.gz FGYPMJLDHSRALA-VXGBXAGGSA-N -1 1 383.416 1.415 20 0 GDADMM Cc1cc(CC(=O)N[C@@H]2CCC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)no1 ZINC001571224692 953150728 /nfs/dbraw/zinc/15/07/28/953150728.db2.gz CYZWAHGJMGPFGC-VXGBXAGGSA-N -1 1 383.416 1.035 20 0 GDADMM Cc1cc(CC(=O)N[C@@H]2CCC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)no1 ZINC001571224692 953150730 /nfs/dbraw/zinc/15/07/30/953150730.db2.gz CYZWAHGJMGPFGC-VXGBXAGGSA-N -1 1 383.416 1.035 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H]([C@H](C)Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)on1 ZINC001571224934 953151786 /nfs/dbraw/zinc/15/17/86/953151786.db2.gz GZHGNKSGNDKVQA-NWDGAFQWSA-N -1 1 383.416 1.224 20 0 GDADMM Cc1cc(C(=O)N2CC[C@@H]([C@H](C)Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)on1 ZINC001571224934 953151789 /nfs/dbraw/zinc/15/17/89/953151789.db2.gz GZHGNKSGNDKVQA-NWDGAFQWSA-N -1 1 383.416 1.224 20 0 GDADMM Cc1nc(C(=O)N2CC[C@@H](C)[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)co1 ZINC001571225263 953152891 /nfs/dbraw/zinc/15/28/91/953152891.db2.gz IXGAOMYPPGZXGF-PWSUYJOCSA-N -1 1 383.416 1.163 20 0 GDADMM Cc1nc(C(=O)N2CC[C@@H](C)[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)co1 ZINC001571225263 953152892 /nfs/dbraw/zinc/15/28/92/953152892.db2.gz IXGAOMYPPGZXGF-PWSUYJOCSA-N -1 1 383.416 1.163 20 0 GDADMM Cc1cnoc1C(=O)N[C@@H]1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571226993 953158460 /nfs/dbraw/zinc/15/84/60/953158460.db2.gz YLJJXXCMDUKDJX-NWDGAFQWSA-N -1 1 383.416 1.354 20 0 GDADMM Cc1cnoc1C(=O)N[C@@H]1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571226993 953158463 /nfs/dbraw/zinc/15/84/63/953158463.db2.gz YLJJXXCMDUKDJX-NWDGAFQWSA-N -1 1 383.416 1.354 20 0 GDADMM C[C@H](CNS(=O)(=O)c1ccsc1-c1nn[n-]n1)Oc1cccc(F)c1 ZINC001571229368 953169233 /nfs/dbraw/zinc/16/92/33/953169233.db2.gz CWXBUDCXLFPFAB-SECBINFHSA-N -1 1 383.430 1.813 20 0 GDADMM O=C(N[C@H]1C[C@H](Nc2nc(-c3nn[n-]n3)c(Cl)s2)C1)c1cnns1 ZINC001571234768 953205579 /nfs/dbraw/zinc/20/55/79/953205579.db2.gz IIZOWGHADIBDIW-URHBZAFASA-N -1 1 383.850 1.201 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1)C1CCOCC1 ZINC001571234744 953205593 /nfs/dbraw/zinc/20/55/93/953205593.db2.gz HSIRIKBICWXMMW-DTORHVGOSA-N -1 1 383.865 1.462 20 0 GDADMM O=C(N[C@H]1C[C@@H](Nc2nc(Cl)c(-c3nn[n-]n3)s2)C1)C1CCOCC1 ZINC001571234744 953205596 /nfs/dbraw/zinc/20/55/96/953205596.db2.gz HSIRIKBICWXMMW-DTORHVGOSA-N -1 1 383.865 1.462 20 0 GDADMM COc1ccc(C(=O)N2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C(C)(C)C2)o1 ZINC001571237498 953221065 /nfs/dbraw/zinc/22/10/65/953221065.db2.gz JDQVXAYOYLESNY-LBPRGKRZSA-N -1 1 384.400 1.221 20 0 GDADMM COc1ccc(C(=O)N2C[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C(C)(C)C2)o1 ZINC001571237498 953221070 /nfs/dbraw/zinc/22/10/70/953221070.db2.gz JDQVXAYOYLESNY-LBPRGKRZSA-N -1 1 384.400 1.221 20 0 GDADMM COc1cccc2c1OCCC[C@@H]2NC(=O)[C@@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC001571238151 953225306 /nfs/dbraw/zinc/22/53/06/953225306.db2.gz VNKRCZSGSXXGMU-PWSUYJOCSA-N -1 1 384.400 1.058 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2=COCCC2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571242751 953259249 /nfs/dbraw/zinc/25/92/49/953259249.db2.gz NGHDDXUMGUZQFO-OCCSQVGLSA-N -1 1 384.444 1.390 20 0 GDADMM C[C@@H]1CCCN(C(=O)C2=COCCC2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571242751 953259254 /nfs/dbraw/zinc/25/92/54/953259254.db2.gz NGHDDXUMGUZQFO-OCCSQVGLSA-N -1 1 384.444 1.390 20 0 GDADMM Cc1ccc(CC(=O)N2CCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)s1 ZINC001571244608 953264834 /nfs/dbraw/zinc/26/48/34/953264834.db2.gz CDZNWNZXBJDKPV-GFCCVEGCSA-N -1 1 384.469 1.672 20 0 GDADMM Cc1ccc(CC(=O)N2CCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)s1 ZINC001571244608 953264837 /nfs/dbraw/zinc/26/48/37/953264837.db2.gz CDZNWNZXBJDKPV-GFCCVEGCSA-N -1 1 384.469 1.672 20 0 GDADMM CCN(C(=O)c1sccc1C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571244563 953264844 /nfs/dbraw/zinc/26/48/44/953264844.db2.gz AVFRUHMVNQKZHB-GFCCVEGCSA-N -1 1 384.469 1.768 20 0 GDADMM CCN(C(=O)c1sccc1C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571244563 953264847 /nfs/dbraw/zinc/26/48/47/953264847.db2.gz AVFRUHMVNQKZHB-GFCCVEGCSA-N -1 1 384.469 1.768 20 0 GDADMM Cc1ccsc1C(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C(C)(C)C1 ZINC001571244825 953267500 /nfs/dbraw/zinc/26/75/00/953267500.db2.gz JVFCBUWAMVOSNZ-LBPRGKRZSA-N -1 1 384.469 1.989 20 0 GDADMM Cc1ccsc1C(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C(C)(C)C1 ZINC001571244825 953267502 /nfs/dbraw/zinc/26/75/02/953267502.db2.gz JVFCBUWAMVOSNZ-LBPRGKRZSA-N -1 1 384.469 1.989 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)[C@H](C)C2)s1 ZINC001571244890 953268411 /nfs/dbraw/zinc/26/84/11/953268411.db2.gz LGDYPNZVOKWBFC-PWSUYJOCSA-N -1 1 384.469 1.814 20 0 GDADMM Cc1ccc(C(=O)N[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)[C@H](C)C2)s1 ZINC001571244890 953268414 /nfs/dbraw/zinc/26/84/14/953268414.db2.gz LGDYPNZVOKWBFC-PWSUYJOCSA-N -1 1 384.469 1.814 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)Cc2ccsc2)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571245808 953277279 /nfs/dbraw/zinc/27/72/79/953277279.db2.gz ZGMRGEUXQKHYSU-GXTWGEPZSA-N -1 1 384.469 1.434 20 0 GDADMM CC[C@@H]1[C@@H](NC(=O)Cc2ccsc2)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571245808 953277281 /nfs/dbraw/zinc/27/72/81/953277281.db2.gz ZGMRGEUXQKHYSU-GXTWGEPZSA-N -1 1 384.469 1.434 20 0 GDADMM Cc1cc(C)c(CC(=O)N[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)s1 ZINC001571245798 953277328 /nfs/dbraw/zinc/27/73/28/953277328.db2.gz ZBOUQWQJKRZFDE-LBPRGKRZSA-N -1 1 384.469 1.273 20 0 GDADMM Cc1cc(C)c(CC(=O)N[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)s1 ZINC001571245798 953277330 /nfs/dbraw/zinc/27/73/30/953277330.db2.gz ZBOUQWQJKRZFDE-LBPRGKRZSA-N -1 1 384.469 1.273 20 0 GDADMM O=C(NCc1ccc(-c2nn[n-]n2)s1)NC[C@@]1(CO)C[C@@H]1c1ccccc1 ZINC001571246062 953279277 /nfs/dbraw/zinc/27/92/77/953279277.db2.gz RNVAWRPGQXVPKN-RDTXWAMCSA-N -1 1 384.465 1.894 20 0 GDADMM O=C(C1=CCOCC1)N1CCCC[C@H]1CCNc1nccnc1-c1nnn[n-]1 ZINC001571247537 953283400 /nfs/dbraw/zinc/28/34/00/953283400.db2.gz AJPKIKGYOHSURJ-AWEZNQCLSA-N -1 1 384.444 1.187 20 0 GDADMM O=C(C1=CCOCC1)N1CCCC[C@H]1CCNc1nccnc1-c1nn[n-]n1 ZINC001571247537 953283402 /nfs/dbraw/zinc/28/34/02/953283402.db2.gz AJPKIKGYOHSURJ-AWEZNQCLSA-N -1 1 384.444 1.187 20 0 GDADMM Cc1sccc1CC(=O)N1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571248625 953295360 /nfs/dbraw/zinc/29/53/60/953295360.db2.gz WPQTVYCFKQDWCA-ZDUSSCGKSA-N -1 1 384.469 1.672 20 0 GDADMM Cc1sccc1CC(=O)N1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571248625 953295363 /nfs/dbraw/zinc/29/53/63/953295363.db2.gz WPQTVYCFKQDWCA-ZDUSSCGKSA-N -1 1 384.469 1.672 20 0 GDADMM C[C@@H]1CC[C@@H](CC(=O)N(C)C2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001571249001 953299867 /nfs/dbraw/zinc/29/98/67/953299867.db2.gz AOSFSPISGKGHHZ-ZIAGYGMSSA-N -1 1 384.488 1.910 20 0 GDADMM CCC1(C(=O)N2CCC[C@H](N(C)c3nc(C)cc(-c4nnn[n-]4)n3)C2)CCC1 ZINC001571250864 953313631 /nfs/dbraw/zinc/31/36/31/953313631.db2.gz UODNUZRCORGGFR-AWEZNQCLSA-N -1 1 384.488 1.973 20 0 GDADMM CCC1(C(=O)N2CCC[C@H](N(C)c3nc(C)cc(-c4nn[n-]n4)n3)C2)CCC1 ZINC001571250864 953313635 /nfs/dbraw/zinc/31/36/35/953313635.db2.gz UODNUZRCORGGFR-AWEZNQCLSA-N -1 1 384.488 1.973 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CN(C)c2nccnc2-c2nnn[n-]2)C1)C1CCCC1 ZINC001571251524 953318954 /nfs/dbraw/zinc/31/89/54/953318954.db2.gz ZJRDRZDAFQKYMK-ZIAGYGMSSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H](C(=O)N1CC[C@H](CN(C)c2nccnc2-c2nn[n-]n2)C1)C1CCCC1 ZINC001571251524 953318961 /nfs/dbraw/zinc/31/89/61/953318961.db2.gz ZJRDRZDAFQKYMK-ZIAGYGMSSA-N -1 1 384.488 1.768 20 0 GDADMM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](NC(=O)C3(C)CCC3)C[C@@H]2C)n1 ZINC001571251853 953320378 /nfs/dbraw/zinc/32/03/78/953320378.db2.gz BFLGXDKQMWEIPL-QWHCGFSZSA-N -1 1 384.488 1.883 20 0 GDADMM CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](NC(=O)C3(C)CCC3)C[C@@H]2C)n1 ZINC001571251853 953320382 /nfs/dbraw/zinc/32/03/82/953320382.db2.gz BFLGXDKQMWEIPL-QWHCGFSZSA-N -1 1 384.488 1.883 20 0 GDADMM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[C@H](C)CC3)C2)n1 ZINC001571251996 953322032 /nfs/dbraw/zinc/32/20/32/953322032.db2.gz DWCMTNBJTXJXLH-ZNEHSRBWSA-N -1 1 384.488 1.732 20 0 GDADMM Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[C@H](C)CC3)C2)n1 ZINC001571251996 953322036 /nfs/dbraw/zinc/32/20/36/953322036.db2.gz DWCMTNBJTXJXLH-ZNEHSRBWSA-N -1 1 384.488 1.732 20 0 GDADMM CCN(CC1CCN(C(=O)C2CC(C)C2)CC1)c1nccnc1-c1nnn[n-]1 ZINC001571252042 953322809 /nfs/dbraw/zinc/32/28/09/953322809.db2.gz GBWRPMGEPMEEJR-UHFFFAOYSA-N -1 1 384.488 1.768 20 0 GDADMM CCN(CC1CCN(C(=O)C2CC(C)C2)CC1)c1nccnc1-c1nn[n-]n1 ZINC001571252042 953322813 /nfs/dbraw/zinc/32/28/13/953322813.db2.gz GBWRPMGEPMEEJR-UHFFFAOYSA-N -1 1 384.488 1.768 20 0 GDADMM CN(C[C@H]1CCN(C(=O)[C@H]2CCCC2(C)C)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571252422 953328756 /nfs/dbraw/zinc/32/87/56/953328756.db2.gz MGPBIINSKWHLSZ-ZIAGYGMSSA-N -1 1 384.488 1.768 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571255876 953358441 /nfs/dbraw/zinc/35/84/41/953358441.db2.gz QSKRBIONGMOOPG-QMTHXVAHSA-N 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1.707 20 0 GDADMM CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)[N-]N2CCCNC2=O)c1 ZINC000272575070 532105758 /nfs/dbraw/zinc/10/57/58/532105758.db2.gz LSEKQNWWUOFRII-UHFFFAOYSA-N -1 1 388.877 1.429 20 0 GDADMM C[C@H](Oc1ccccc1Br)C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000374010247 532106892 /nfs/dbraw/zinc/10/68/92/532106892.db2.gz AQUWTDGAXGGZEK-JOYOIKCWSA-N -1 1 382.218 1.330 20 0 GDADMM COCCOc1ccc(C[N-]S(=O)(=O)c2scnc2C(=O)OC)cc1 ZINC000272810565 532115561 /nfs/dbraw/zinc/11/55/61/532115561.db2.gz DBIATDDOBRXAEQ-UHFFFAOYSA-N -1 1 386.451 1.433 20 0 GDADMM CN1C(=O)CC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1=O ZINC000425222870 532130660 /nfs/dbraw/zinc/13/06/60/532130660.db2.gz LZVDSEUFNBENBC-VIFPVBQESA-N -1 1 384.763 1.785 20 0 GDADMM O=C(Cn1cc(Br)ccc1=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000332359311 532182201 /nfs/dbraw/zinc/18/22/01/532182201.db2.gz CLJXDBBGQUDUKF-VIFPVBQESA-N -1 1 383.202 1.106 20 0 GDADMM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(=O)OC ZINC000274172630 532191385 /nfs/dbraw/zinc/19/13/85/532191385.db2.gz ITGAXIKIAQFULW-VIFPVBQESA-N -1 1 387.307 1.385 20 0 GDADMM O=c1nc(NC[C@H](CO)Cc2ccc(Br)cc2)nc2[nH][n-]cc1-2 ZINC000428659060 532214301 /nfs/dbraw/zinc/21/43/01/532214301.db2.gz GCMKWURTFVGJEO-SNVBAGLBSA-N -1 1 378.230 1.458 20 0 GDADMM Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000428254999 532201581 /nfs/dbraw/zinc/20/15/81/532201581.db2.gz ISRKRUNORLUOSW-UHFFFAOYSA-N -1 1 375.801 1.785 20 0 GDADMM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccncc1I ZINC000274768217 532231401 /nfs/dbraw/zinc/23/14/01/532231401.db2.gz TUECGLZYQYBVQD-UHFFFAOYSA-N -1 1 392.222 1.837 20 0 GDADMM CCOC1CC(C[N-]S(=O)(=O)c2nc(C)c(C)s2)(N2CCOCC2)C1 ZINC000333433818 532234987 /nfs/dbraw/zinc/23/49/87/532234987.db2.gz IEGMLERHWNSSQG-UHFFFAOYSA-N -1 1 389.543 1.308 20 0 GDADMM C[C@@H]1CCN(C(=O)c2ccc(I)c([O-])c2)CC[S@]1=O ZINC000430342223 532247731 /nfs/dbraw/zinc/24/77/31/532247731.db2.gz HLKMPZBHNBUUTA-AYLIAGHASA-N -1 1 393.246 1.980 20 0 GDADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]Cc1c(F)cc(F)c(F)c1F ZINC000429913951 532239174 /nfs/dbraw/zinc/23/91/74/532239174.db2.gz LNYNHCDKDNKIFD-UHFFFAOYSA-N -1 1 381.307 1.621 20 0 GDADMM Cn1cc(N2CC[C@H]([N-]S(=O)(=O)c3c(Cl)ccnc3Cl)C2)cn1 ZINC000378481073 532288217 /nfs/dbraw/zinc/28/82/17/532288217.db2.gz IEFAPYFBMFWEGV-VIFPVBQESA-N -1 1 376.269 1.679 20 0 GDADMM Cc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@H]2C(C)C)c1 ZINC000349455126 532289090 /nfs/dbraw/zinc/28/90/90/532289090.db2.gz HIQAJNJEONUOQG-AWEZNQCLSA-N -1 1 375.516 1.582 20 0 GDADMM CCOC(=O)C1CCN(S(=O)(=O)[N-]c2ccn(CC(F)(F)F)n2)CC1 ZINC000288547931 532296180 /nfs/dbraw/zinc/29/61/80/532296180.db2.gz PJBBXMMTYHPVIU-UHFFFAOYSA-N -1 1 384.380 1.377 20 0 GDADMM Cc1cccc(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)c1Br ZINC000275369629 532290728 /nfs/dbraw/zinc/29/07/28/532290728.db2.gz WCDOSQZTFPJCTA-UHFFFAOYSA-N -1 1 391.287 1.539 20 0 GDADMM CCO[C@@H]1C[C@@]([N-]S(=O)(=O)c2cc(F)ccc2F)(C(=O)OC)C1(C)C ZINC000275834841 532311601 /nfs/dbraw/zinc/31/16/01/532311601.db2.gz BOHUWNBFYTUGDH-CZUORRHYSA-N -1 1 377.409 1.990 20 0 GDADMM O=C(NC[C@H]1CCS(=O)(=O)C1)c1c([O-])cnc2c(Br)cccc21 ZINC000289399142 532323159 /nfs/dbraw/zinc/32/31/59/532323159.db2.gz FMWOKRIEIRDUBV-SECBINFHSA-N -1 1 399.266 1.867 20 0 GDADMM NC(=O)[C@@H](c1ccc(Br)cc1F)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000289584036 532328605 /nfs/dbraw/zinc/32/86/05/532328605.db2.gz ZFTQWBGMYIXCRM-QPUJVOFHSA-N -1 1 398.236 1.406 20 0 GDADMM Cc1ccc(C[C@H]2CCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737335791 598836552 /nfs/dbraw/zinc/83/65/52/598836552.db2.gz WYCCALWDSYWCCT-OAHLLOKOSA-N -1 1 384.465 1.966 20 0 GDADMM Cc1ccc(C[C@H]2CCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737335791 598836554 /nfs/dbraw/zinc/83/65/54/598836554.db2.gz WYCCALWDSYWCCT-OAHLLOKOSA-N -1 1 384.465 1.966 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2)ccc1OC ZINC000610058385 598840838 /nfs/dbraw/zinc/84/08/38/598840838.db2.gz IGNOPHVFKOJFQL-UHFFFAOYSA-N -1 1 389.393 1.463 20 0 GDADMM NC(=O)c1cc(C(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)c[nH]1 ZINC000737755187 598847125 /nfs/dbraw/zinc/84/71/25/598847125.db2.gz KQGZYKQLOMPYKH-UHFFFAOYSA-N -1 1 393.432 1.952 20 0 GDADMM O[C@@H](CNc1nccnc1-c1nnn[n-]1)c1cc(Cl)c2c(c1)OCCO2 ZINC000738387933 598857117 /nfs/dbraw/zinc/85/71/17/598857117.db2.gz QRDBSQBYILMDRD-JTQLQIEISA-N -1 1 375.776 1.227 20 0 GDADMM O[C@@H](CNc1nccnc1-c1nn[n-]n1)c1cc(Cl)c2c(c1)OCCO2 ZINC000738387933 598857119 /nfs/dbraw/zinc/85/71/19/598857119.db2.gz QRDBSQBYILMDRD-JTQLQIEISA-N -1 1 375.776 1.227 20 0 GDADMM O[C@H](CNc1nccnc1-c1nnn[n-]1)c1cc(Cl)c2c(c1)OCCO2 ZINC000738387937 598857143 /nfs/dbraw/zinc/85/71/43/598857143.db2.gz QRDBSQBYILMDRD-SNVBAGLBSA-N -1 1 375.776 1.227 20 0 GDADMM O[C@H](CNc1nccnc1-c1nn[n-]n1)c1cc(Cl)c2c(c1)OCCO2 ZINC000738387937 598857145 /nfs/dbraw/zinc/85/71/45/598857145.db2.gz QRDBSQBYILMDRD-SNVBAGLBSA-N -1 1 375.776 1.227 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1ccc2nccn2c1 ZINC000737199743 598892780 /nfs/dbraw/zinc/89/27/80/598892780.db2.gz IZOXEINMXYQZBP-UHFFFAOYSA-N -1 1 378.396 1.803 20 0 GDADMM Cc1nonc1CN1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000737547050 598899666 /nfs/dbraw/zinc/89/96/66/598899666.db2.gz HYXLYISKVWATAX-UHFFFAOYSA-N -1 1 383.372 1.128 20 0 GDADMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(N2CCCC2=O)cc1 ZINC000736119392 598998714 /nfs/dbraw/zinc/99/87/14/598998714.db2.gz ORYIUJIPUVPPTR-GFCCVEGCSA-N -1 1 377.408 1.880 20 0 GDADMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(N2CCCC2=O)cc1 ZINC000736119392 598998716 /nfs/dbraw/zinc/99/87/16/598998716.db2.gz ORYIUJIPUVPPTR-GFCCVEGCSA-N -1 1 377.408 1.880 20 0 GDADMM CS(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccc(-c3nnn[n-]3)nc1)CCC2 ZINC000737173164 599000169 /nfs/dbraw/zinc/00/01/69/599000169.db2.gz HQTRJZXUBBPIIN-UHFFFAOYSA-N -1 1 384.421 1.258 20 0 GDADMM CS(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccc(-c3nn[n-]n3)nc1)CCC2 ZINC000737173164 599000171 /nfs/dbraw/zinc/00/01/71/599000171.db2.gz HQTRJZXUBBPIIN-UHFFFAOYSA-N -1 1 384.421 1.258 20 0 GDADMM Cc1ccc2oc(N3CCN(C(=O)c4ccc(-c5nnn[n-]5)nc4)CC3)nc2c1 ZINC000737381540 599006526 /nfs/dbraw/zinc/00/65/26/599006526.db2.gz ZBUALHHENIROTE-UHFFFAOYSA-N -1 1 390.407 1.674 20 0 GDADMM Cc1ccc2oc(N3CCN(C(=O)c4ccc(-c5nn[n-]n5)nc4)CC3)nc2c1 ZINC000737381540 599006528 /nfs/dbraw/zinc/00/65/28/599006528.db2.gz ZBUALHHENIROTE-UHFFFAOYSA-N -1 1 390.407 1.674 20 0 GDADMM CC(C)(C)n1cc(CN2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)cn1 ZINC000735661148 599006648 /nfs/dbraw/zinc/00/66/48/599006648.db2.gz JYJZRBHYDZTXMG-UHFFFAOYSA-N -1 1 395.471 1.171 20 0 GDADMM CC(C)(C)n1cc(CN2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)cn1 ZINC000735661148 599006650 /nfs/dbraw/zinc/00/66/50/599006650.db2.gz JYJZRBHYDZTXMG-UHFFFAOYSA-N -1 1 395.471 1.171 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCN(c2ncnc3sccc32)CC1 ZINC000738259938 599022218 /nfs/dbraw/zinc/02/22/18/599022218.db2.gz XSINLGRBDDZTMZ-UHFFFAOYSA-N -1 1 393.436 1.229 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCN(c2ncnc3sccc32)CC1 ZINC000738259938 599022219 /nfs/dbraw/zinc/02/22/19/599022219.db2.gz XSINLGRBDDZTMZ-UHFFFAOYSA-N -1 1 393.436 1.229 20 0 GDADMM O=C(c1ccc(F)cc1)N1CCCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000738266743 599022239 /nfs/dbraw/zinc/02/22/39/599022239.db2.gz KDNRTMAMJGLOLC-UHFFFAOYSA-N -1 1 395.398 1.389 20 0 GDADMM O=C(c1ccc(F)cc1)N1CCCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000738266743 599022241 /nfs/dbraw/zinc/02/22/41/599022241.db2.gz KDNRTMAMJGLOLC-UHFFFAOYSA-N -1 1 395.398 1.389 20 0 GDADMM COc1cccc(N2CC[C@H](CNC(=O)c3ccc(-c4nnn[n-]4)nc3)C2)c1 ZINC000737141427 599028311 /nfs/dbraw/zinc/02/83/11/599028311.db2.gz WJHJSAXJNKFYQI-CYBMUJFWSA-N -1 1 379.424 1.527 20 0 GDADMM COc1cccc(N2CC[C@H](CNC(=O)c3ccc(-c4nn[n-]n4)nc3)C2)c1 ZINC000737141427 599028313 /nfs/dbraw/zinc/02/83/13/599028313.db2.gz WJHJSAXJNKFYQI-CYBMUJFWSA-N -1 1 379.424 1.527 20 0 GDADMM CC(C)n1ccnc1CN1CCCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000735964668 599029146 /nfs/dbraw/zinc/02/91/46/599029146.db2.gz DJINGGOUVXUHLH-UHFFFAOYSA-N -1 1 395.471 1.387 20 0 GDADMM CC(C)n1ccnc1CN1CCCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000735964668 599029148 /nfs/dbraw/zinc/02/91/48/599029148.db2.gz DJINGGOUVXUHLH-UHFFFAOYSA-N -1 1 395.471 1.387 20 0 GDADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC2CC(c3cccc(Cl)c3)C2)n(C)c1=O ZINC000822599135 599047657 /nfs/dbraw/zinc/04/76/57/599047657.db2.gz AJQCYSRBEATFPO-UHFFFAOYSA-N -1 1 387.831 1.276 20 0 GDADMM C[C@@H]1CN=C(N2CCN(c3c4ccccc4nnc3-c3nnn[n-]3)CC2)S1 ZINC000820803981 599046027 /nfs/dbraw/zinc/04/60/27/599046027.db2.gz KQYBSRYRXHTEMU-LLVKDONJSA-N -1 1 381.469 1.423 20 0 GDADMM C[C@@H]1CN=C(N2CCN(c3c4ccccc4nnc3-c3nn[n-]n3)CC2)S1 ZINC000820803981 599046030 /nfs/dbraw/zinc/04/60/30/599046030.db2.gz KQYBSRYRXHTEMU-LLVKDONJSA-N -1 1 381.469 1.423 20 0 GDADMM Cc1ccc2c(c1)OCCN2S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000737375099 599097905 /nfs/dbraw/zinc/09/79/05/599097905.db2.gz CPBIZDDXMDLADN-UHFFFAOYSA-N -1 1 375.385 1.902 20 0 GDADMM Cc1ccc2c(c1)OCCN2S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000737375099 599097906 /nfs/dbraw/zinc/09/79/06/599097906.db2.gz CPBIZDDXMDLADN-UHFFFAOYSA-N -1 1 375.385 1.902 20 0 GDADMM C[C@H]1Oc2ccc(C(=O)COC(=O)c3ccc(-c4nnn[n-]4)nc3)cc2NC1=O ZINC000736303184 599131792 /nfs/dbraw/zinc/13/17/92/599131792.db2.gz SFUROASBSUCIFH-SECBINFHSA-N -1 1 394.347 1.021 20 0 GDADMM C[C@H]1Oc2ccc(C(=O)COC(=O)c3ccc(-c4nn[n-]n4)nc3)cc2NC1=O ZINC000736303184 599131796 /nfs/dbraw/zinc/13/17/96/599131796.db2.gz SFUROASBSUCIFH-SECBINFHSA-N -1 1 394.347 1.021 20 0 GDADMM Cc1cccc(C)c1OCCNC(=O)COC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737391143 599133490 /nfs/dbraw/zinc/13/34/90/599133490.db2.gz YXNMRPFWAKKSMP-UHFFFAOYSA-N -1 1 396.407 1.231 20 0 GDADMM Cc1cccc(C)c1OCCNC(=O)COC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737391143 599133492 /nfs/dbraw/zinc/13/34/92/599133492.db2.gz YXNMRPFWAKKSMP-UHFFFAOYSA-N -1 1 396.407 1.231 20 0 GDADMM O=C(OCc1nc(-c2ccc3c(c2)OCO3)no1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738244898 599137838 /nfs/dbraw/zinc/13/78/38/599137838.db2.gz MEYZZKZBPZIJHO-UHFFFAOYSA-N -1 1 393.319 1.397 20 0 GDADMM O=C(OCc1nc(-c2ccc3c(c2)OCO3)no1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738244898 599137840 /nfs/dbraw/zinc/13/78/40/599137840.db2.gz MEYZZKZBPZIJHO-UHFFFAOYSA-N -1 1 393.319 1.397 20 0 GDADMM CCCN1CCN(c2ccc(NC(=O)C(=O)NCC(=O)[O-])cc2Cl)CC1 ZINC000739365488 597046962 /nfs/dbraw/zinc/04/69/62/597046962.db2.gz QHZWYXCBBHFBFF-UHFFFAOYSA-N -1 1 382.848 1.011 20 0 GDADMM CN(CC(=O)Nc1ccccc1Cl)C(=O)CN1CCC[C@@H](CC(=O)[O-])C1 ZINC000818394592 597082189 /nfs/dbraw/zinc/08/21/89/597082189.db2.gz FMIBPWIOJGBHPI-ZDUSSCGKSA-N -1 1 381.860 1.924 20 0 GDADMM CN(CC(C)(C)CNC(=O)[O-])C(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000828150388 603507923 /nfs/dbraw/zinc/50/79/23/603507923.db2.gz HVHVLEDCBOLMNA-UHFFFAOYSA-N -1 1 378.454 1.588 20 0 GDADMM CN1CCN(c2ccc(CNC(=O)Nc3cccc(CC(=O)[O-])c3)cn2)CC1 ZINC000738023036 597202833 /nfs/dbraw/zinc/20/28/33/597202833.db2.gz SKPGHWWYSNESKZ-UHFFFAOYSA-N -1 1 383.452 1.782 20 0 GDADMM Cc1ccc(NC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cn1 ZINC000822248806 607274744 /nfs/dbraw/zinc/27/47/44/607274744.db2.gz OSFSTCLVTICVHV-GFCCVEGCSA-N -1 1 380.416 1.103 20 0 GDADMM Cc1ccc(NC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cn1 ZINC000822248806 607274745 /nfs/dbraw/zinc/27/47/45/607274745.db2.gz OSFSTCLVTICVHV-GFCCVEGCSA-N -1 1 380.416 1.103 20 0 GDADMM COc1cccc([C@H](CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)N2CCCC2)c1 ZINC000738092966 597412890 /nfs/dbraw/zinc/41/28/90/597412890.db2.gz UEEIVNMWRKNYLE-DLBZAZTESA-N -1 1 377.441 1.327 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)NCCn2cc(C)cn2)c1-c1nn[n-]n1 ZINC000737189159 599264909 /nfs/dbraw/zinc/26/49/09/599264909.db2.gz KHYCUHWUTYRVIE-UHFFFAOYSA-N -1 1 384.469 1.796 20 0 GDADMM O=C(N1CCCC1)N1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000737992352 599265405 /nfs/dbraw/zinc/26/54/05/599265405.db2.gz IUPLBDZKHFGLLW-UHFFFAOYSA-N -1 1 378.440 1.753 20 0 GDADMM O=C(N1CCCC1)N1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000737992352 599265407 /nfs/dbraw/zinc/26/54/07/599265407.db2.gz IUPLBDZKHFGLLW-UHFFFAOYSA-N -1 1 378.440 1.753 20 0 GDADMM O=C([O-])c1ccccc1NC(=O)C(=O)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000821470282 598173589 /nfs/dbraw/zinc/17/35/89/598173589.db2.gz JBSQKRQHZPMWPA-AWEZNQCLSA-N -1 1 375.425 1.037 20 0 GDADMM O=C([O-])c1ccccc1NC(=O)C(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000821451826 598174742 /nfs/dbraw/zinc/17/47/42/598174742.db2.gz KZMBUZADHJNUGN-UHFFFAOYSA-N -1 1 383.339 1.564 20 0 GDADMM O=C([O-])c1ccccc1NC(=O)C(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000821451826 598174743 /nfs/dbraw/zinc/17/47/43/598174743.db2.gz KZMBUZADHJNUGN-UHFFFAOYSA-N -1 1 383.339 1.564 20 0 GDADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc2c(c1)OCCO2 ZINC000736131792 598260696 /nfs/dbraw/zinc/26/06/96/598260696.db2.gz RYCNZNWERGEVSX-SNVBAGLBSA-N -1 1 388.409 1.072 20 0 GDADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc2c(c1)OCCO2 ZINC000736131792 598260698 /nfs/dbraw/zinc/26/06/98/598260698.db2.gz RYCNZNWERGEVSX-SNVBAGLBSA-N -1 1 388.409 1.072 20 0 GDADMM COc1ccc(CN(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1OC ZINC000737090990 598261176 /nfs/dbraw/zinc/26/11/76/598261176.db2.gz OLFCSAUVVMARPL-UHFFFAOYSA-N -1 1 390.425 1.100 20 0 GDADMM COc1ccc(CN(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1OC ZINC000737090990 598261178 /nfs/dbraw/zinc/26/11/78/598261178.db2.gz OLFCSAUVVMARPL-UHFFFAOYSA-N -1 1 390.425 1.100 20 0 GDADMM Cc1nc(-c2ccc(OS(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)cc2)no1 ZINC000737463004 598261306 /nfs/dbraw/zinc/26/13/06/598261306.db2.gz CZKQJJJSLOATGQ-UHFFFAOYSA-N -1 1 385.365 1.388 20 0 GDADMM Cc1nc(-c2ccc(OS(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)cc2)no1 ZINC000737463004 598261308 /nfs/dbraw/zinc/26/13/08/598261308.db2.gz CZKQJJJSLOATGQ-UHFFFAOYSA-N -1 1 385.365 1.388 20 0 GDADMM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H]1Cc1ccc(F)cc1 ZINC000738352834 598268400 /nfs/dbraw/zinc/26/84/00/598268400.db2.gz AYJLUSCQAJHHEW-AWEZNQCLSA-N -1 1 388.428 1.797 20 0 GDADMM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H]1Cc1ccc(F)cc1 ZINC000738352834 598268402 /nfs/dbraw/zinc/26/84/02/598268402.db2.gz AYJLUSCQAJHHEW-AWEZNQCLSA-N -1 1 388.428 1.797 20 0 GDADMM COCCN(CCc1ccccc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736995613 598270594 /nfs/dbraw/zinc/27/05/94/598270594.db2.gz UVBKYCKNENKHLE-UHFFFAOYSA-N -1 1 388.453 1.142 20 0 GDADMM COCCN(CCc1ccccc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736995613 598270596 /nfs/dbraw/zinc/27/05/96/598270596.db2.gz UVBKYCKNENKHLE-UHFFFAOYSA-N -1 1 388.453 1.142 20 0 GDADMM CCc1nc(CCNC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)no1 ZINC000736697655 598297309 /nfs/dbraw/zinc/29/73/09/598297309.db2.gz AADSYHPUGWCZNJ-UHFFFAOYSA-N -1 1 382.384 1.477 20 0 GDADMM CCc1nc(CCNC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)no1 ZINC000736697655 598297311 /nfs/dbraw/zinc/29/73/11/598297311.db2.gz AADSYHPUGWCZNJ-UHFFFAOYSA-N -1 1 382.384 1.477 20 0 GDADMM Clc1ccccc1[C@H](CNc1nccnc1-c1nnn[n-]1)N1CCOCC1 ZINC000737582530 598342454 /nfs/dbraw/zinc/34/24/54/598342454.db2.gz BZVQKUCWVQITFP-AWEZNQCLSA-N -1 1 386.847 1.796 20 0 GDADMM Clc1ccccc1[C@H](CNc1nccnc1-c1nn[n-]n1)N1CCOCC1 ZINC000737582530 598342456 /nfs/dbraw/zinc/34/24/56/598342456.db2.gz BZVQKUCWVQITFP-AWEZNQCLSA-N -1 1 386.847 1.796 20 0 GDADMM O[C@H](CNc1nccnc1-c1nnn[n-]1)COc1cccc(Cl)c1Cl ZINC000738385350 598348858 /nfs/dbraw/zinc/34/88/58/598348858.db2.gz HTNGPFOWNXPUIT-MRVPVSSYSA-N -1 1 382.211 1.815 20 0 GDADMM O[C@H](CNc1nccnc1-c1nn[n-]n1)COc1cccc(Cl)c1Cl ZINC000738385350 598348860 /nfs/dbraw/zinc/34/88/60/598348860.db2.gz HTNGPFOWNXPUIT-MRVPVSSYSA-N -1 1 382.211 1.815 20 0 GDADMM O[C@@H](CNc1nccnc1-c1nnn[n-]1)COc1cccc(Cl)c1Cl ZINC000738385351 598348895 /nfs/dbraw/zinc/34/88/95/598348895.db2.gz HTNGPFOWNXPUIT-QMMMGPOBSA-N -1 1 382.211 1.815 20 0 GDADMM O[C@@H](CNc1nccnc1-c1nn[n-]n1)COc1cccc(Cl)c1Cl ZINC000738385351 598348897 /nfs/dbraw/zinc/34/88/97/598348897.db2.gz HTNGPFOWNXPUIT-QMMMGPOBSA-N -1 1 382.211 1.815 20 0 GDADMM CC(C)c1nc(CCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cs1 ZINC000735939491 598355657 /nfs/dbraw/zinc/35/56/57/598355657.db2.gz JTLZFVKMXYBLMO-UHFFFAOYSA-N -1 1 379.471 1.363 20 0 GDADMM CC(C)c1nc(CCNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cs1 ZINC000735939491 598355660 /nfs/dbraw/zinc/35/56/60/598355660.db2.gz JTLZFVKMXYBLMO-UHFFFAOYSA-N -1 1 379.471 1.363 20 0 GDADMM O=S(=O)(N[C@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738329066 598356957 /nfs/dbraw/zinc/35/69/57/598356957.db2.gz MMJAWIPJOSXBIT-JKSUJKDBSA-N -1 1 386.437 1.460 20 0 GDADMM O=S(=O)(N[C@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738329066 598356958 /nfs/dbraw/zinc/35/69/58/598356958.db2.gz MMJAWIPJOSXBIT-JKSUJKDBSA-N -1 1 386.437 1.460 20 0 GDADMM CCc1nn(Cc2nc(-c3ccccc3C)no2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736706085 598377931 /nfs/dbraw/zinc/37/79/31/598377931.db2.gz GSUKDZQRGOHYKA-UHFFFAOYSA-N -1 1 392.423 1.955 20 0 GDADMM CCn1cc(-c2nn[n-]n2)c(=O)n(CCCOc2ccc3ccccc3c2)c1=O ZINC000736713727 598494639 /nfs/dbraw/zinc/49/46/39/598494639.db2.gz MRYFWLGVEUPBBQ-UHFFFAOYSA-N -1 1 392.419 1.832 20 0 GDADMM O=C1CCCN1c1cccc([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000738303752 598513662 /nfs/dbraw/zinc/51/36/62/598513662.db2.gz GIOTZDYCIZHANE-UHFFFAOYSA-N -1 1 384.421 1.794 20 0 GDADMM CN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1cnc2c(-c3nnn[n-]3)cnn2c1 ZINC000736847067 598543434 /nfs/dbraw/zinc/54/34/34/598543434.db2.gz UAKYAMMOGSHTIS-AWEZNQCLSA-N -1 1 381.787 1.759 20 0 GDADMM CN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1cnc2c(-c3nn[n-]n3)cnn2c1 ZINC000736847067 598543436 /nfs/dbraw/zinc/54/34/36/598543436.db2.gz UAKYAMMOGSHTIS-AWEZNQCLSA-N -1 1 381.787 1.759 20 0 GDADMM CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)n1cnc(-c2nn[n-]n2)n1 ZINC000736604363 598569167 /nfs/dbraw/zinc/56/91/67/598569167.db2.gz XICMYZIZXAFXCO-QMMMGPOBSA-N -1 1 390.429 1.459 20 0 GDADMM O=C(CN1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1)Nc1ccccc1 ZINC000737884880 598573686 /nfs/dbraw/zinc/57/36/86/598573686.db2.gz XLAQJJJMMLWYMC-UHFFFAOYSA-N -1 1 398.858 1.676 20 0 GDADMM O=C(CN1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1)Nc1ccccc1 ZINC000737884880 598573688 /nfs/dbraw/zinc/57/36/88/598573688.db2.gz XLAQJJJMMLWYMC-UHFFFAOYSA-N -1 1 398.858 1.676 20 0 GDADMM CCc1nc(CN2CCC[C@@H](Nc3ccc(Cl)c(-c4nnn[n-]4)n3)C2)no1 ZINC000736704562 598580531 /nfs/dbraw/zinc/58/05/31/598580531.db2.gz QYEFGSAWBWMKPC-SNVBAGLBSA-N -1 1 389.851 1.937 20 0 GDADMM CCc1nc(CN2CCC[C@@H](Nc3ccc(Cl)c(-c4nn[n-]n4)n3)C2)no1 ZINC000736704562 598580532 /nfs/dbraw/zinc/58/05/32/598580532.db2.gz QYEFGSAWBWMKPC-SNVBAGLBSA-N -1 1 389.851 1.937 20 0 GDADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[nH]n3)c2)c(C)c1 ZINC000736948594 598593121 /nfs/dbraw/zinc/59/31/21/598593121.db2.gz JOBGLNCKNPXOCE-UHFFFAOYSA-N -1 1 391.384 1.902 20 0 GDADMM O=S(=O)([N-]c1ccc(-n2ccnc2)c(F)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000738344801 598638184 /nfs/dbraw/zinc/63/81/84/598638184.db2.gz IQYZDJRCOPKCRD-UHFFFAOYSA-N -1 1 385.384 1.992 20 0 GDADMM CCc1nn(CC(=O)c2c[nH]c3ccccc23)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705316 598641391 /nfs/dbraw/zinc/64/13/91/598641391.db2.gz FTMCEZDQAIEUBL-UHFFFAOYSA-N -1 1 377.408 1.912 20 0 GDADMM CCc1nn(Cc2cn3cc(Cl)ccc3n2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736708559 598642653 /nfs/dbraw/zinc/64/26/53/598642653.db2.gz YCXYWYOCZWOTJS-UHFFFAOYSA-N -1 1 384.831 1.898 20 0 GDADMM CCc1nn(Cc2nc3ccccc3nc2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736707170 598642854 /nfs/dbraw/zinc/64/28/54/598642854.db2.gz QEHVJVVLSPHHFS-UHFFFAOYSA-N -1 1 376.424 1.848 20 0 GDADMM CCc1nn(CC(=O)c2ccc(NC(C)=O)cc2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705677 598642931 /nfs/dbraw/zinc/64/29/31/598642931.db2.gz NNTQZWSWZJAINH-UHFFFAOYSA-N -1 1 395.423 1.390 20 0 GDADMM CC(C)(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)cc1 ZINC000735671284 598694384 /nfs/dbraw/zinc/69/43/84/598694384.db2.gz RFAQLUGTKOYHHY-UHFFFAOYSA-N -1 1 376.417 1.657 20 0 GDADMM CC(C)(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)cc1 ZINC000735671284 598694385 /nfs/dbraw/zinc/69/43/85/598694385.db2.gz RFAQLUGTKOYHHY-UHFFFAOYSA-N -1 1 376.417 1.657 20 0 GDADMM COc1ccc2c(c1)CCCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)nc1)C2 ZINC000737118124 598694873 /nfs/dbraw/zinc/69/48/73/598694873.db2.gz ABGZRUJDQRPIGK-UHFFFAOYSA-N -1 1 386.437 1.407 20 0 GDADMM COc1ccc2c(c1)CCCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)nc1)C2 ZINC000737118124 598694875 /nfs/dbraw/zinc/69/48/75/598694875.db2.gz ABGZRUJDQRPIGK-UHFFFAOYSA-N -1 1 386.437 1.407 20 0 GDADMM Cc1cnn([C@H]2CCCN(S(=O)(=O)c3ccc(F)c(-c4nn[n-]n4)c3)C2)c1 ZINC000737446124 598711840 /nfs/dbraw/zinc/71/18/40/598711840.db2.gz WKRXZQBJRCZPFN-LBPRGKRZSA-N -1 1 391.432 1.537 20 0 GDADMM CC(C)n1cc([C@@H](C)NS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cn1 ZINC000736129185 598776384 /nfs/dbraw/zinc/77/63/84/598776384.db2.gz CQWUZOSCKLSNKX-SNVBAGLBSA-N -1 1 379.421 1.823 20 0 GDADMM CNC(=O)CCCNC(=O)c1cc(C2CC2)nc(SC)c1-c1nn[n-]n1 ZINC000736871419 598811923 /nfs/dbraw/zinc/81/19/23/598811923.db2.gz STLKAYNGVCWVIO-UHFFFAOYSA-N -1 1 375.458 1.117 20 0 GDADMM COc1ccc(Br)cc1CC(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000821770438 599316265 /nfs/dbraw/zinc/31/62/65/599316265.db2.gz UBBSFFYSDUHQPL-UHFFFAOYSA-N -1 1 378.190 1.299 20 0 GDADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(-n2cccn2)cc1 ZINC000820446400 599326616 /nfs/dbraw/zinc/32/66/16/599326616.db2.gz WCFOFMPLHZVPQM-GFCCVEGCSA-N -1 1 396.436 1.487 20 0 GDADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(-n2cccn2)cc1 ZINC000820446400 599326620 /nfs/dbraw/zinc/32/66/20/599326620.db2.gz WCFOFMPLHZVPQM-GFCCVEGCSA-N -1 1 396.436 1.487 20 0 GDADMM Cn1cccc1[C@@H]1CCCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000822693539 599336237 /nfs/dbraw/zinc/33/62/37/599336237.db2.gz FIMSSPKBZLJETO-ZDUSSCGKSA-N -1 1 376.417 1.870 20 0 GDADMM Cn1cccc1[C@@H]1CCCN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000822693539 599336239 /nfs/dbraw/zinc/33/62/39/599336239.db2.gz FIMSSPKBZLJETO-ZDUSSCGKSA-N -1 1 376.417 1.870 20 0 GDADMM CC(C)COC1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000820096363 599339452 /nfs/dbraw/zinc/33/94/52/599339452.db2.gz BBEBHTNPMLLDMO-UHFFFAOYSA-N -1 1 383.449 1.832 20 0 GDADMM CC(C)COC1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000820096363 599339453 /nfs/dbraw/zinc/33/94/53/599339453.db2.gz BBEBHTNPMLLDMO-UHFFFAOYSA-N -1 1 383.449 1.832 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCOC[C@@H]1c1ccco1 ZINC000823600308 599345976 /nfs/dbraw/zinc/34/59/76/599345976.db2.gz FTVNFKVCMKYOFN-GFCCVEGCSA-N -1 1 395.828 1.875 20 0 GDADMM COc1ccc([C@@H](C)CCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000821778062 599352035 /nfs/dbraw/zinc/35/20/35/599352035.db2.gz SQMZNKVCLRJNAB-LBPRGKRZSA-N -1 1 388.453 1.742 20 0 GDADMM COc1ccc([C@@H](C)CCNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000821778062 599352037 /nfs/dbraw/zinc/35/20/37/599352037.db2.gz SQMZNKVCLRJNAB-LBPRGKRZSA-N -1 1 388.453 1.742 20 0 GDADMM COc1cc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c2ccccc2n1 ZINC000821717257 599362829 /nfs/dbraw/zinc/36/28/29/599362829.db2.gz MWAGRAAYOZQIBB-UHFFFAOYSA-N -1 1 397.420 1.297 20 0 GDADMM COc1cc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c2ccccc2n1 ZINC000821717257 599362832 /nfs/dbraw/zinc/36/28/32/599362832.db2.gz MWAGRAAYOZQIBB-UHFFFAOYSA-N -1 1 397.420 1.297 20 0 GDADMM O=S(=O)(Oc1ccc(OC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823595076 599375549 /nfs/dbraw/zinc/37/55/49/599375549.db2.gz VWTOCFMXPQHYLF-UHFFFAOYSA-N -1 1 387.299 1.928 20 0 GDADMM O=S(=O)(Oc1ccc(OC(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823595076 599375552 /nfs/dbraw/zinc/37/55/52/599375552.db2.gz VWTOCFMXPQHYLF-UHFFFAOYSA-N -1 1 387.299 1.928 20 0 GDADMM Cc1ccc(S(=O)(=O)N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)cc1C ZINC000737370563 599395130 /nfs/dbraw/zinc/39/51/30/599395130.db2.gz SAEAKBDLYZWCTL-UHFFFAOYSA-N -1 1 399.480 1.389 20 0 GDADMM Cc1ccc(S(=O)(=O)N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)cc1C ZINC000737370563 599395137 /nfs/dbraw/zinc/39/51/37/599395137.db2.gz SAEAKBDLYZWCTL-UHFFFAOYSA-N -1 1 399.480 1.389 20 0 GDADMM C[C@H]1C[C@H](c2ccc(F)cc2)CN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736232967 599481070 /nfs/dbraw/zinc/48/10/70/599481070.db2.gz DQYGUXQGSRJETJ-AAEUAGOBSA-N -1 1 388.428 1.968 20 0 GDADMM C[C@H]1C[C@H](c2ccc(F)cc2)CN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736232967 599481072 /nfs/dbraw/zinc/48/10/72/599481072.db2.gz DQYGUXQGSRJETJ-AAEUAGOBSA-N -1 1 388.428 1.968 20 0 GDADMM COC(=O)CCN(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000736913504 599594038 /nfs/dbraw/zinc/59/40/38/599594038.db2.gz RADSJPHWMKIJDY-UHFFFAOYSA-N -1 1 393.347 1.069 20 0 GDADMM Cc1cnc(COC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)o1 ZINC000822395197 599654607 /nfs/dbraw/zinc/65/46/07/599654607.db2.gz VYESILYFUXMOFI-UHFFFAOYSA-N -1 1 382.384 1.499 20 0 GDADMM Cc1cnc(COC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)o1 ZINC000822395197 599654608 /nfs/dbraw/zinc/65/46/08/599654608.db2.gz VYESILYFUXMOFI-UHFFFAOYSA-N -1 1 382.384 1.499 20 0 GDADMM Cc1oc(NC(=O)COC(=O)[C@H]2CCc3c[nH]nc3C2)c(-c2nn[n-]n2)c1C ZINC000822548794 599670862 /nfs/dbraw/zinc/67/08/62/599670862.db2.gz OACNOCFRMZCMTC-JTQLQIEISA-N -1 1 385.384 1.086 20 0 GDADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc(-n2cccn2)c1 ZINC000820446388 599682963 /nfs/dbraw/zinc/68/29/63/599682963.db2.gz VYZATDHWCZIQJB-GFCCVEGCSA-N -1 1 396.436 1.487 20 0 GDADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc(-n2cccn2)c1 ZINC000820446388 599682964 /nfs/dbraw/zinc/68/29/64/599682964.db2.gz VYZATDHWCZIQJB-GFCCVEGCSA-N -1 1 396.436 1.487 20 0 GDADMM Cc1[nH]c(C(=O)[C@H](C)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c(C)c1C(=O)[O-] ZINC000738236194 599712368 /nfs/dbraw/zinc/71/23/68/599712368.db2.gz LZYLTXGIYJANEP-DZGCQCFKSA-N -1 1 390.484 1.315 20 0 GDADMM CS(=O)(=O)Nc1cc2ccccc2cc1C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000738163828 599736783 /nfs/dbraw/zinc/73/67/83/599736783.db2.gz IBRYHTZIZCWCJM-UHFFFAOYSA-N -1 1 388.405 1.745 20 0 GDADMM COC(=O)c1sc2[nH]c(CN[C@H](C(=O)[O-])c3ccccc3)nc(=O)c2c1C ZINC000737724168 599758744 /nfs/dbraw/zinc/75/87/44/599758744.db2.gz WUKCUJCCEQEEEQ-ZDUSSCGKSA-N -1 1 387.417 1.995 20 0 GDADMM COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)NC[C@H](C)N(C)C2CC2)c1OC ZINC000737871742 599775008 /nfs/dbraw/zinc/77/50/08/599775008.db2.gz MXQLWVXBXRQTDD-JECSTDCCSA-N -1 1 398.481 1.563 20 0 GDADMM COC(=O)[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1F)c1ccc(OC)cc1 ZINC000737580317 599798444 /nfs/dbraw/zinc/79/84/44/599798444.db2.gz SVCGCRIIXYIQAB-HNNXBMFYSA-N -1 1 397.380 1.725 20 0 GDADMM O=C([O-])COc1ccc(NC(=O)CCNC(=O)c2n[nH]c3ccccc32)cc1 ZINC000739823518 599816432 /nfs/dbraw/zinc/81/64/32/599816432.db2.gz ICTJNPMLBWXTDI-UHFFFAOYSA-N -1 1 382.376 1.785 20 0 GDADMM Cc1cscc1NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000826320873 607396366 /nfs/dbraw/zinc/39/63/66/607396366.db2.gz IIWKGDFGIQOYAT-LLVKDONJSA-N -1 1 385.457 1.769 20 0 GDADMM Cc1cscc1NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000826320873 607396367 /nfs/dbraw/zinc/39/63/67/607396367.db2.gz IIWKGDFGIQOYAT-LLVKDONJSA-N -1 1 385.457 1.769 20 0 GDADMM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CCNC(=O)c1n[nH]c2ccccc21 ZINC000262465809 599835901 /nfs/dbraw/zinc/83/59/01/599835901.db2.gz WIXHYGJNBIRPCG-KCXAZCMYSA-N -1 1 384.436 1.927 20 0 GDADMM O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)cc2)[n-]1 ZINC000739877833 599853068 /nfs/dbraw/zinc/85/30/68/599853068.db2.gz RUVMGANXUGNNHR-HNNXBMFYSA-N -1 1 384.436 1.007 20 0 GDADMM O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)cc2)[n-]1 ZINC000739877833 599853071 /nfs/dbraw/zinc/85/30/71/599853071.db2.gz RUVMGANXUGNNHR-HNNXBMFYSA-N -1 1 384.436 1.007 20 0 GDADMM C[C@@H]1CN(CCCNC(=O)C(=O)Nc2ccc(CCC(=O)[O-])cc2)C[C@H](C)O1 ZINC000736811071 599876724 /nfs/dbraw/zinc/87/67/24/599876724.db2.gz QMNRGEBIOGYEFI-GASCZTMLSA-N -1 1 391.468 1.258 20 0 GDADMM O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)cc2)[n-]1 ZINC000739877963 599915592 /nfs/dbraw/zinc/91/55/92/599915592.db2.gz VKGYEJDRDPLOOO-CYBMUJFWSA-N -1 1 384.436 1.007 20 0 GDADMM O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)cc2)[n-]1 ZINC000739877963 599915595 /nfs/dbraw/zinc/91/55/95/599915595.db2.gz VKGYEJDRDPLOOO-CYBMUJFWSA-N -1 1 384.436 1.007 20 0 GDADMM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000736201702 599956163 /nfs/dbraw/zinc/95/61/63/599956163.db2.gz WSFQNJYVOVNZHI-GOEBONIOSA-N -1 1 375.473 1.089 20 0 GDADMM CC[C@@H]1CN([C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)CCN1C[C@@H](C)O ZINC000736942307 599960291 /nfs/dbraw/zinc/96/02/91/599960291.db2.gz AXGOSFUSEBTVFT-HLLBOEOZSA-N -1 1 377.485 1.797 20 0 GDADMM CCn1ccnc1CN1CCCN([C@@H](C)C(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000737302875 599965642 /nfs/dbraw/zinc/96/56/42/599965642.db2.gz KFNWZLGVZIPISU-INIZCTEOSA-N -1 1 391.516 1.122 20 0 GDADMM CN1CCN(C[C@@H](NC(=O)NC2CCC(C(=O)[O-])CC2)c2ccccc2)CC1 ZINC000737525685 600022738 /nfs/dbraw/zinc/02/27/38/600022738.db2.gz FAKZKPGUUGFBIF-CTWPCTMYSA-N -1 1 388.512 1.918 20 0 GDADMM Cc1cc(NC(=O)C(=O)NC[C@@H]2CN(CC(C)C)CCO2)ccc1C(=O)[O-] ZINC000738411053 600042867 /nfs/dbraw/zinc/04/28/67/600042867.db2.gz OBQDZLAWHPVNGL-OAHLLOKOSA-N -1 1 377.441 1.105 20 0 GDADMM O=C([O-])c1ccc(NC(=O)CN[C@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000738466849 600120143 /nfs/dbraw/zinc/12/01/43/600120143.db2.gz BBKAFWRIVLEMKO-LJQANCHMSA-N -1 1 383.448 1.986 20 0 GDADMM Cn1c2ccc(S(=O)(=O)Nc3cccc(C(=O)[O-])c3O)cc2n(C)c1=O ZINC000436994156 600177222 /nfs/dbraw/zinc/17/72/22/600177222.db2.gz KMEMKLKZJZWMLL-UHFFFAOYSA-N -1 1 377.378 1.082 20 0 GDADMM CC(C)[C@@H](CNC(=O)NCc1cccc(OCC(=O)[O-])c1)N1CCN(C)CC1 ZINC000736353110 600184884 /nfs/dbraw/zinc/18/48/84/600184884.db2.gz MUFWNVSQPUAOQF-GOSISDBHSA-N -1 1 392.500 1.221 20 0 GDADMM Cc1nc(CN2CCN(C(=O)Cn3cc(C(=O)[O-])c4ccccc43)CC2)n[nH]1 ZINC000738857139 600185377 /nfs/dbraw/zinc/18/53/77/600185377.db2.gz IMEWOPFHXKWETD-UHFFFAOYSA-N -1 1 382.424 1.110 20 0 GDADMM CN1CCN(C)[C@H](CNC(=O)Nc2cccc(CSCCC(=O)[O-])c2)C1 ZINC000737526921 600278425 /nfs/dbraw/zinc/27/84/25/600278425.db2.gz ZIFMFXILAOQVMD-MRXNPFEDSA-N -1 1 380.514 1.762 20 0 GDADMM CCN(C[C@H]1COc2ccccc2O1)C(=O)CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000737093227 600295504 /nfs/dbraw/zinc/29/55/04/600295504.db2.gz DEMOLEIWZZSQDR-HOTGVXAUSA-N -1 1 388.464 1.862 20 0 GDADMM CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F)c1cccs1 ZINC000737360938 600297637 /nfs/dbraw/zinc/29/76/37/600297637.db2.gz LNWWTUMWYVDKLK-ZDUSSCGKSA-N -1 1 379.413 1.943 20 0 GDADMM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCC(n2ccnc2)CC1 ZINC000739277875 600318600 /nfs/dbraw/zinc/31/86/00/600318600.db2.gz JTICCNMWJUUHAI-LJQANCHMSA-N -1 1 395.463 1.813 20 0 GDADMM C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000736649199 600366172 /nfs/dbraw/zinc/36/61/72/600366172.db2.gz DXHZXAMXSQKXRM-BXUZGUMPSA-N -1 1 378.388 1.896 20 0 GDADMM C[C@](CO)(NCC(=O)N1CCC(C(=O)[O-])CC1)c1cccc(C(F)(F)F)c1 ZINC000736607354 600411580 /nfs/dbraw/zinc/41/15/80/600411580.db2.gz UKDPRCWXEHNOLD-QGZVFWFLSA-N -1 1 388.386 1.826 20 0 GDADMM COc1ccc(C)cc1NC(=O)[C@H]1CCCN1CCC(=O)N(C)CC(=O)[O-] ZINC000737971606 600412004 /nfs/dbraw/zinc/41/20/04/600412004.db2.gz FVZUWSJQINUBLV-OAHLLOKOSA-N -1 1 377.441 1.340 20 0 GDADMM COC(=O)c1cc(CN(C)CCCN2C(=O)CS/C2=C\C(=O)[O-])oc1C ZINC000737654142 600429480 /nfs/dbraw/zinc/42/94/80/600429480.db2.gz OAQFMKOKJWTGHT-NVNXTCNLSA-N -1 1 382.438 1.698 20 0 GDADMM 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395.391 1.675 20 0 GDADMM CC(C)[C@@](C)(CNC(=O)[O-])NC(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000738768968 603099253 /nfs/dbraw/zinc/09/92/53/603099253.db2.gz UZSLOMGTYLQXFE-HXUWFJFHSA-N -1 1 376.501 1.846 20 0 GDADMM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCN(C(=O)[O-])[C@H](C)C1 ZINC000830085303 603258606 /nfs/dbraw/zinc/25/86/06/603258606.db2.gz QOBBFKXMZFUXHE-OAHLLOKOSA-N -1 1 375.473 1.963 20 0 GDADMM O=C([O-])N1CC[C@@H](CN2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)C1 ZINC000740499013 603339139 /nfs/dbraw/zinc/33/91/39/603339139.db2.gz JGGAIAABQVWFHO-ZFWWWQNUSA-N -1 1 385.461 1.568 20 0 GDADMM COc1cc(NC(=O)CCN2CCN(C(=O)[O-])[C@@H](C)C2)cc(OC)c1OC ZINC000739868493 603354509 /nfs/dbraw/zinc/35/45/09/603354509.db2.gz TZYQCPBSLBDEII-LBPRGKRZSA-N -1 1 381.429 1.725 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCC(c2cc[nH]n2)CC1 ZINC000826495199 607620655 /nfs/dbraw/zinc/62/06/55/607620655.db2.gz HCCGKJZPFYJFJW-UHFFFAOYSA-N -1 1 393.860 1.812 20 0 GDADMM C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739179796 603414082 /nfs/dbraw/zinc/41/40/82/603414082.db2.gz XGWFSLLTSSPJES-WCVJEAGWSA-N -1 1 391.468 1.651 20 0 GDADMM COC(=O)[C@]1(NC(=O)[C@H]2CCN(C(=O)[O-])C2)CCCN(Cc2ccccc2)C1 ZINC000828623745 603444539 /nfs/dbraw/zinc/44/45/39/603444539.db2.gz GBLURSMUXVWRDH-JXFKEZNVSA-N -1 1 389.452 1.310 20 0 GDADMM O=C([O-])N[C@@H](CC(=O)N1CCC(CN2CCOCC2)CC1)Cc1ccccc1 ZINC000832091162 603484503 /nfs/dbraw/zinc/48/45/03/603484503.db2.gz CKENHBXJSZYRAA-LJQANCHMSA-N -1 1 389.496 1.826 20 0 GDADMM CCOC(=O)[C@H]1CCCN(C(=O)CN2CCC(CN(CC)C(=O)[O-])CC2)C1 ZINC000827297569 603512234 /nfs/dbraw/zinc/51/22/34/603512234.db2.gz KPOXLJJBMLCZLS-INIZCTEOSA-N -1 1 383.489 1.500 20 0 GDADMM CC[C@H](O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825155066 607633947 /nfs/dbraw/zinc/63/39/47/607633947.db2.gz YFKNWQDWCBBKLR-STQMWFEESA-N -1 1 385.877 1.834 20 0 GDADMM O=C([O-])NCCc1ccc(CNC(=O)N2CCN(C3CCOCC3)CC2)cc1 ZINC000832672234 603526819 /nfs/dbraw/zinc/52/68/19/603526819.db2.gz NYMJUNGMGPOBPO-UHFFFAOYSA-N -1 1 390.484 1.503 20 0 GDADMM CCC(CC)(CNC(=O)N1CCN(c2cc(OC)ccn2)CC1)NC(=O)[O-] ZINC000826141779 603547010 /nfs/dbraw/zinc/54/70/10/603547010.db2.gz JQLGTMUVDVZFEQ-UHFFFAOYSA-N -1 1 379.461 1.748 20 0 GDADMM COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN(C)CC(C)(C)CNC(=O)[O-] ZINC000828640184 603548895 /nfs/dbraw/zinc/54/88/95/603548895.db2.gz KIDIECOBFDLAHU-INIZCTEOSA-N -1 1 391.468 1.339 20 0 GDADMM C[C@@H]1CCCC[C@]1(CNC(=O)[O-])NCc1csc(CS(C)(=O)=O)n1 ZINC000825893675 603560077 /nfs/dbraw/zinc/56/00/77/603560077.db2.gz APXFJMUVBOKWNB-IAQYHMDHSA-N -1 1 375.516 1.994 20 0 GDADMM C[C@H]1CCCC[C@]1(CNC(=O)[O-])NCc1csc(CS(C)(=O)=O)n1 ZINC000825893677 603560511 /nfs/dbraw/zinc/56/05/11/603560511.db2.gz APXFJMUVBOKWNB-XHDPSFHLSA-N -1 1 375.516 1.994 20 0 GDADMM C[C@@H]1CN(CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)C[C@H](C)N1C(=O)[O-] ZINC000826059717 603564009 /nfs/dbraw/zinc/56/40/09/603564009.db2.gz YZVYFVZUVOFNOK-PHIMTYICSA-N -1 1 382.848 1.840 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@H](O)c1ccccn1 ZINC000826341070 607638926 /nfs/dbraw/zinc/63/89/26/607638926.db2.gz VKTIYOCUGVFNTN-ZDUSSCGKSA-N -1 1 379.380 1.417 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)NC[C@H](O)c1ccccn1 ZINC000826341070 607638927 /nfs/dbraw/zinc/63/89/27/607638927.db2.gz VKTIYOCUGVFNTN-ZDUSSCGKSA-N -1 1 379.380 1.417 20 0 GDADMM O=S(=O)(NCCCOCC1CCOCC1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826491006 607642129 /nfs/dbraw/zinc/64/21/29/607642129.db2.gz QBVQNEIBJFCDRK-UHFFFAOYSA-N -1 1 399.448 1.117 20 0 GDADMM O=S(=O)(NCCCOCC1CCOCC1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826491006 607642130 /nfs/dbraw/zinc/64/21/30/607642130.db2.gz QBVQNEIBJFCDRK-UHFFFAOYSA-N -1 1 399.448 1.117 20 0 GDADMM CC1(C)[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)[C@H]2CCO[C@H]21 ZINC000824790713 607643616 /nfs/dbraw/zinc/64/36/16/607643616.db2.gz PLPKVBSWOZQOTH-BZHVJNSISA-N -1 1 383.861 1.612 20 0 GDADMM CC1(C)[C@H](NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)[C@H]2CCO[C@H]21 ZINC000824790713 607643617 /nfs/dbraw/zinc/64/36/17/607643617.db2.gz PLPKVBSWOZQOTH-BZHVJNSISA-N -1 1 383.861 1.612 20 0 GDADMM O=C([O-])N[C@@H](CNC(=O)N1CCN(C[C@@H]2CCOC2)CC1)c1ccccc1 ZINC000832128019 603670446 /nfs/dbraw/zinc/67/04/46/603670446.db2.gz LVSCDJAITWULFA-RDJZCZTQSA-N -1 1 376.457 1.359 20 0 GDADMM CC[C@@H](O)CCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000825154993 607645746 /nfs/dbraw/zinc/64/57/46/607645746.db2.gz WXEMTLIGSMDZKI-SNVBAGLBSA-N -1 1 393.391 1.715 20 0 GDADMM COc1cc(OC)cc(N2CC[C@H](N3CC[C@@H](CN(C)C(=O)[O-])C3)C2=O)c1 ZINC000829211376 603706323 /nfs/dbraw/zinc/70/63/23/603706323.db2.gz RDPVWCATKWVWIU-GUYCJALGSA-N -1 1 377.441 1.741 20 0 GDADMM COC(=O)[C@H](CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)CC(C)C ZINC000826104144 607646964 /nfs/dbraw/zinc/64/69/64/607646964.db2.gz QMCOOFOQFKPIPT-JTQLQIEISA-N -1 1 385.421 1.119 20 0 GDADMM COC(=O)[C@H](CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)CC(C)C ZINC000826104144 607646966 /nfs/dbraw/zinc/64/69/66/607646966.db2.gz QMCOOFOQFKPIPT-JTQLQIEISA-N -1 1 385.421 1.119 20 0 GDADMM O=C([O-])N1CCC[C@H](CNC(=O)CCN2CCN(c3ccccn3)CC2)C1 ZINC000831433424 603727910 /nfs/dbraw/zinc/72/79/10/603727910.db2.gz SCSJPOMDBKGNPL-MRXNPFEDSA-N -1 1 375.473 1.100 20 0 GDADMM O=C([O-])N1CC(OCC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000831530234 603742755 /nfs/dbraw/zinc/74/27/55/603742755.db2.gz XFZRKJNOPLLTEL-UHFFFAOYSA-N -1 1 381.860 1.799 20 0 GDADMM COc1ccccc1[C@H](CNC(=O)COC1CN(C(=O)[O-])C1)N1CCCCC1 ZINC000829592036 603747425 /nfs/dbraw/zinc/74/74/25/603747425.db2.gz KXTHZMCRQSRJDN-KRWDZBQOSA-N -1 1 391.468 1.717 20 0 GDADMM COc1ccnc(N2CCN(C(=O)N[C@H]3CCC[C@@H]3CNC(=O)[O-])CC2)c1 ZINC000829650684 603849116 /nfs/dbraw/zinc/84/91/16/603849116.db2.gz UDRHHASEGHLRDN-HIFRSBDPSA-N -1 1 377.445 1.358 20 0 GDADMM CC(C)[C@H](CCN(C)[C@@H](C)C(=O)N1CCN(c2ncccn2)CC1)NC(=O)[O-] ZINC000824100430 603853303 /nfs/dbraw/zinc/85/33/03/603853303.db2.gz VYKZZTIZAOLODU-HOTGVXAUSA-N -1 1 392.504 1.128 20 0 GDADMM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCC[C@@H](n2cncn2)C1 ZINC000826494936 607656685 /nfs/dbraw/zinc/65/66/85/607656685.db2.gz VWRLXHJXQXCYGD-LLVKDONJSA-N -1 1 394.848 1.137 20 0 GDADMM O=C([O-])N[C@@H](CC(=O)N1CC[C@H](CN2CCOCC2)C1)Cc1ccccc1 ZINC000832094993 603909467 /nfs/dbraw/zinc/90/94/67/603909467.db2.gz XTIGBSRTKBXEMB-QZTJIDSGSA-N -1 1 375.469 1.436 20 0 GDADMM CN(C)c1nc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cs1 ZINC000825883877 607659163 /nfs/dbraw/zinc/65/91/63/607659163.db2.gz OPCUZCYMXHSIHA-UHFFFAOYSA-N -1 1 383.434 1.007 20 0 GDADMM Cc1nnc2ccc(C(=O)Nc3ccc(-c4nc(CNC(=O)[O-])n[nH]4)cc3)cn12 ZINC000830894377 603913946 /nfs/dbraw/zinc/91/39/46/603913946.db2.gz TYQBEPJEFLNFBO-UHFFFAOYSA-N -1 1 392.379 1.843 20 0 GDADMM Cc1nnc2ccc(C(=O)Nc3ccc(-c4n[nH]c(CNC(=O)[O-])n4)cc3)cn12 ZINC000830894377 603913949 /nfs/dbraw/zinc/91/39/49/603913949.db2.gz TYQBEPJEFLNFBO-UHFFFAOYSA-N -1 1 392.379 1.843 20 0 GDADMM C[C@@]1(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)CCCC[C@H]1O ZINC000824822727 607662759 /nfs/dbraw/zinc/66/27/59/607662759.db2.gz GZXICZPWBPEWNF-DOMZBBRYSA-N -1 1 385.877 1.740 20 0 GDADMM C[C@@]1(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCCC[C@H]1O ZINC000824822727 607662760 /nfs/dbraw/zinc/66/27/60/607662760.db2.gz GZXICZPWBPEWNF-DOMZBBRYSA-N -1 1 385.877 1.740 20 0 GDADMM O=S(=O)(NC[C@H](CO)c1ccccc1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826489068 607664984 /nfs/dbraw/zinc/66/49/84/607664984.db2.gz HCTCSGFORYWIIN-GFCCVEGCSA-N -1 1 377.401 1.060 20 0 GDADMM CN(C(=O)[O-])[C@@H]1CCCN(C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000827822219 604001419 /nfs/dbraw/zinc/00/14/19/604001419.db2.gz IWZIPMQDFVZISZ-LLVKDONJSA-N -1 1 376.438 1.286 20 0 GDADMM CCCCC[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)C(=O)OC ZINC000825268815 607665780 /nfs/dbraw/zinc/66/57/80/607665780.db2.gz ZBXCYJRJBRIDKL-LLVKDONJSA-N -1 1 385.421 1.406 20 0 GDADMM CCCCC[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)C(=O)OC ZINC000825268815 607665782 /nfs/dbraw/zinc/66/57/82/607665782.db2.gz ZBXCYJRJBRIDKL-LLVKDONJSA-N -1 1 385.421 1.406 20 0 GDADMM COC(=O)c1cc(S(=O)(=O)Nc2cccc3c2CCN3C(=O)[O-])cn1C ZINC000828760893 604014388 /nfs/dbraw/zinc/01/43/88/604014388.db2.gz KDTNHCSLGHCVCY-UHFFFAOYSA-N -1 1 379.394 1.653 20 0 GDADMM Cc1cc(N2CC[C@H](N3CCC[C@@H]([C@H]4CCCN4C(=O)[O-])C3)C2=O)n(C)n1 ZINC000830073065 604037073 /nfs/dbraw/zinc/03/70/73/604037073.db2.gz MTMRSFSQFNXCHC-OAGGEKHMSA-N -1 1 375.473 1.688 20 0 GDADMM Cc1cc(N2CC[C@H](N3CCC[C@H]([C@@H]4CCCN4C(=O)[O-])C3)C2=O)n(C)n1 ZINC000830073064 604037572 /nfs/dbraw/zinc/03/75/72/604037572.db2.gz MTMRSFSQFNXCHC-JYJNAYRXSA-N -1 1 375.473 1.688 20 0 GDADMM CCN(Cc1ccccc1NC(=O)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)C(=O)[O-] ZINC000827176344 604043040 /nfs/dbraw/zinc/04/30/40/604043040.db2.gz HOCJTSFLBQLPIN-DZGCQCFKSA-N -1 1 388.468 1.866 20 0 GDADMM O=C([O-])N1CCC[C@@H]1COC(=O)c1ccc(NC(=O)NCc2c[nH]nn2)cc1 ZINC000831709661 604135735 /nfs/dbraw/zinc/13/57/35/604135735.db2.gz YABQFHKVANMASZ-CQSZACIVSA-N -1 1 388.384 1.426 20 0 GDADMM C[C@@H](CN1CCN(C)CC1)NC(=O)NCCN(C(=O)[O-])C1CCCCCC1 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ZINC000834101291 605820577 /nfs/dbraw/zinc/82/05/77/605820577.db2.gz XFENFDMCJFLZRD-TZMCWYRMSA-N -1 1 376.461 1.961 20 0 GDADMM Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNC[C@@H](NC(=O)[O-])C1CC1 ZINC000833918432 605825465 /nfs/dbraw/zinc/82/54/65/605825465.db2.gz AKUBYDIMKZQBHK-DGCLKSJQSA-N -1 1 390.893 1.340 20 0 GDADMM O=C([O-])N1CCC2(CCN(CC3=Nc4ccccc4S(=O)(=O)N3)C2)CC1 ZINC000834091980 605900090 /nfs/dbraw/zinc/90/00/90/605900090.db2.gz ARYXXWPLRVOVHG-UHFFFAOYSA-N -1 1 378.454 1.474 20 0 GDADMM O=C(CN(C(=O)[O-])C1CC1)Nc1ccc2nc(CCN3CCOCC3)[nH]c2c1 ZINC000834003532 605983365 /nfs/dbraw/zinc/98/33/65/605983365.db2.gz JYVAFPOEHSIBRM-UHFFFAOYSA-N -1 1 387.440 1.519 20 0 GDADMM CNC(=O)CC1CCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)CC1 ZINC000821631752 606035311 /nfs/dbraw/zinc/03/53/11/606035311.db2.gz RJXDEPNNTNOMOE-UHFFFAOYSA-N -1 1 397.439 1.547 20 0 GDADMM CNC(=O)CC1CCN(C(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)CC1 ZINC000821631752 606035315 /nfs/dbraw/zinc/03/53/15/606035315.db2.gz RJXDEPNNTNOMOE-UHFFFAOYSA-N -1 1 397.439 1.547 20 0 GDADMM Cc1oc(NC(=O)CN(C)Cc2nnc3ccccn32)c(-c2nn[n-]n2)c1C ZINC000822548070 606078511 /nfs/dbraw/zinc/07/85/11/606078511.db2.gz DXBOFSFXMFJDIQ-UHFFFAOYSA-N -1 1 381.400 1.190 20 0 GDADMM O=C(NC[C@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000823176752 606106624 /nfs/dbraw/zinc/10/66/24/606106624.db2.gz YBWNIQCNJIFXBT-MRXNPFEDSA-N -1 1 391.435 1.686 20 0 GDADMM O=C(NC[C@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000823176752 606106625 /nfs/dbraw/zinc/10/66/25/606106625.db2.gz YBWNIQCNJIFXBT-MRXNPFEDSA-N -1 1 391.435 1.686 20 0 GDADMM C[C@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820704456 606135149 /nfs/dbraw/zinc/13/51/49/606135149.db2.gz NZTHHQTXFLGZPF-VHSXEESVSA-N -1 1 392.441 1.490 20 0 GDADMM C[C@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820704456 606135150 /nfs/dbraw/zinc/13/51/50/606135150.db2.gz NZTHHQTXFLGZPF-VHSXEESVSA-N -1 1 392.441 1.490 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NC[C@@H](O)c2ccccc2C(F)(F)F)n1 ZINC000822614015 606160018 /nfs/dbraw/zinc/16/00/18/606160018.db2.gz IFIIBYAKAGNGOQ-LLVKDONJSA-N -1 1 396.333 1.474 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@@H](O)c2ccccc2C(F)(F)F)n1 ZINC000822614015 606160020 /nfs/dbraw/zinc/16/00/20/606160020.db2.gz IFIIBYAKAGNGOQ-LLVKDONJSA-N -1 1 396.333 1.474 20 0 GDADMM CCO[C@H](C)c1nc(CN(C)C(=O)Nc2nn(C)cc2-c2nnn[n-]2)cs1 ZINC000821346077 606168244 /nfs/dbraw/zinc/16/82/44/606168244.db2.gz CNPGTSKHTWBHFI-SECBINFHSA-N -1 1 391.461 1.818 20 0 GDADMM CCO[C@H](C)c1nc(CN(C)C(=O)Nc2nn(C)cc2-c2nn[n-]n2)cs1 ZINC000821346077 606168245 /nfs/dbraw/zinc/16/82/45/606168245.db2.gz CNPGTSKHTWBHFI-SECBINFHSA-N -1 1 391.461 1.818 20 0 GDADMM O=C(c1cc(F)ccc1O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000823472493 606197963 /nfs/dbraw/zinc/19/79/63/606197963.db2.gz OLZRZIXONMZIJT-UHFFFAOYSA-N -1 1 399.386 1.539 20 0 GDADMM CC[C@](C)(CCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C1OCCO1 ZINC000820852786 606201912 /nfs/dbraw/zinc/20/19/12/606201912.db2.gz GLUQHNASVJBDPP-MRXNPFEDSA-N -1 1 396.473 1.109 20 0 GDADMM CC[C@](C)(CCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C1OCCO1 ZINC000820852786 606201914 /nfs/dbraw/zinc/20/19/14/606201914.db2.gz GLUQHNASVJBDPP-MRXNPFEDSA-N -1 1 396.473 1.109 20 0 GDADMM O=C(OC[C@@H]1CC(=O)N(CCc2ccccc2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823397387 606205978 /nfs/dbraw/zinc/20/59/78/606205978.db2.gz WIECZEZKPZWXIR-OAHLLOKOSA-N -1 1 392.419 1.510 20 0 GDADMM O=C(OC[C@@H]1CC(=O)N(CCc2ccccc2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823397387 606205979 /nfs/dbraw/zinc/20/59/79/606205979.db2.gz WIECZEZKPZWXIR-OAHLLOKOSA-N -1 1 392.419 1.510 20 0 GDADMM O=C(CCc1ccccc1)N1CCCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000822983954 606228475 /nfs/dbraw/zinc/22/84/75/606228475.db2.gz ZIZMQTMRKQQZQV-UHFFFAOYSA-N -1 1 377.452 1.933 20 0 GDADMM O=C(CCc1ccccc1)N1CCCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000822983954 606228477 /nfs/dbraw/zinc/22/84/77/606228477.db2.gz ZIZMQTMRKQQZQV-UHFFFAOYSA-N -1 1 377.452 1.933 20 0 GDADMM Cn1cc(-c2nn[nH]n2)cc1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000822626725 606283477 /nfs/dbraw/zinc/28/34/77/606283477.db2.gz FGFRCGLVDBELIN-UHFFFAOYSA-N -1 1 380.408 1.646 20 0 GDADMM C[C@H]1CN([C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)nc2)c2cccs2)CCO1 ZINC000820752296 606298551 /nfs/dbraw/zinc/29/85/51/606298551.db2.gz LPRGIINLYHAFLD-WFASDCNBSA-N -1 1 399.480 1.515 20 0 GDADMM C[C@H]1CN([C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)nc2)c2cccs2)CCO1 ZINC000820752296 606298552 /nfs/dbraw/zinc/29/85/52/606298552.db2.gz LPRGIINLYHAFLD-WFASDCNBSA-N -1 1 399.480 1.515 20 0 GDADMM CCCCO[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1(C)C ZINC000821071423 606404156 /nfs/dbraw/zinc/40/41/56/606404156.db2.gz DMXFEMAPXVCSPX-ZIAGYGMSSA-N -1 1 380.474 1.524 20 0 GDADMM CCCCO[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1(C)C ZINC000821071423 606404157 /nfs/dbraw/zinc/40/41/57/606404157.db2.gz DMXFEMAPXVCSPX-ZIAGYGMSSA-N -1 1 380.474 1.524 20 0 GDADMM C[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1c(F)cccc1Cl ZINC000820450800 606421633 /nfs/dbraw/zinc/42/16/33/606421633.db2.gz PFVAXTFRYGLFCL-SSDOTTSWSA-N -1 1 379.783 1.230 20 0 GDADMM CCc1nc(CN2CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)no1 ZINC000821509666 606466446 /nfs/dbraw/zinc/46/64/46/606466446.db2.gz KWBJEJLZPHGORK-UHFFFAOYSA-N -1 1 375.824 1.183 20 0 GDADMM CCc1nc(CN2CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)no1 ZINC000821509666 606466447 /nfs/dbraw/zinc/46/64/47/606466447.db2.gz KWBJEJLZPHGORK-UHFFFAOYSA-N -1 1 375.824 1.183 20 0 GDADMM CS(=O)(=O)Cc1ccccc1CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000821932405 606474563 /nfs/dbraw/zinc/47/45/63/606474563.db2.gz LUJPQZNKIOUPRL-UHFFFAOYSA-N -1 1 395.448 1.967 20 0 GDADMM CS(=O)(=O)Cc1ccccc1CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000821932405 606474565 /nfs/dbraw/zinc/47/45/65/606474565.db2.gz LUJPQZNKIOUPRL-UHFFFAOYSA-N -1 1 395.448 1.967 20 0 GDADMM COC(=O)C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(Cl)cc1 ZINC000821663569 606529726 /nfs/dbraw/zinc/52/97/26/606529726.db2.gz DGYSZVUSLSSOBN-AWEZNQCLSA-N -1 1 386.799 1.949 20 0 GDADMM COC(=O)C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(Cl)cc1 ZINC000821663569 606529727 /nfs/dbraw/zinc/52/97/27/606529727.db2.gz DGYSZVUSLSSOBN-AWEZNQCLSA-N -1 1 386.799 1.949 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H]1CCCn2ncnc21 ZINC000822534946 606547589 /nfs/dbraw/zinc/54/75/89/606547589.db2.gz DDOVCCICVCIXMW-LLVKDONJSA-N -1 1 379.384 1.415 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H]1CCCn2ncnc21 ZINC000822534946 606547591 /nfs/dbraw/zinc/54/75/91/606547591.db2.gz DDOVCCICVCIXMW-LLVKDONJSA-N -1 1 379.384 1.415 20 0 GDADMM CC(C)[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820017534 606560977 /nfs/dbraw/zinc/56/09/77/606560977.db2.gz ZEACKLWIURUKDL-VHSXEESVSA-N -1 1 380.499 1.604 20 0 GDADMM CC(C)[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820017534 606560978 /nfs/dbraw/zinc/56/09/78/606560978.db2.gz ZEACKLWIURUKDL-VHSXEESVSA-N -1 1 380.499 1.604 20 0 GDADMM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)s2)CCN1C[C@H](O)c1ccccc1 ZINC000820741966 606566354 /nfs/dbraw/zinc/56/63/54/606566354.db2.gz GXUKCDDUVJQGIX-HIFRSBDPSA-N -1 1 398.492 1.808 20 0 GDADMM O=C(N[C@H]1CC(=O)N(CCOc2ccccc2)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823144388 606573762 /nfs/dbraw/zinc/57/37/62/606573762.db2.gz GHQJSLRPTBVEGI-LBPRGKRZSA-N -1 1 398.448 1.338 20 0 GDADMM O=C(N[C@H]1CC(=O)N(CCOc2ccccc2)C1)c1ccc(-c2nn[n-]n2)s1 ZINC000823144388 606573764 /nfs/dbraw/zinc/57/37/64/606573764.db2.gz GHQJSLRPTBVEGI-LBPRGKRZSA-N -1 1 398.448 1.338 20 0 GDADMM C[C@@](NC(=O)c1ccc(-c2nnn[n-]2)s1)(C(N)=O)c1cccc(Cl)c1 ZINC000820390548 606590104 /nfs/dbraw/zinc/59/01/04/606590104.db2.gz IHWJEMWTLBZTHO-HNNXBMFYSA-N -1 1 376.829 1.712 20 0 GDADMM C[C@@](NC(=O)c1ccc(-c2nn[n-]n2)s1)(C(N)=O)c1cccc(Cl)c1 ZINC000820390548 606590105 /nfs/dbraw/zinc/59/01/05/606590105.db2.gz IHWJEMWTLBZTHO-HNNXBMFYSA-N -1 1 376.829 1.712 20 0 GDADMM COc1cc(CN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C2CC2)ccc1O ZINC000821712617 606597497 /nfs/dbraw/zinc/59/74/97/606597497.db2.gz JTUZQSCZPXJHFX-UHFFFAOYSA-N -1 1 384.400 1.511 20 0 GDADMM COc1cc(CN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C2CC2)ccc1O ZINC000821712617 606597498 /nfs/dbraw/zinc/59/74/98/606597498.db2.gz JTUZQSCZPXJHFX-UHFFFAOYSA-N -1 1 384.400 1.511 20 0 GDADMM COc1cc(OC)cc([C@@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000821723934 606598564 /nfs/dbraw/zinc/59/85/64/606598564.db2.gz NCXORDRPZCBRFN-LBPRGKRZSA-N -1 1 375.410 1.409 20 0 GDADMM COc1cc(OC)cc([C@@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000821723934 606598565 /nfs/dbraw/zinc/59/85/65/606598565.db2.gz NCXORDRPZCBRFN-LBPRGKRZSA-N -1 1 375.410 1.409 20 0 GDADMM O=C(CC[C@H]1Cc2ccccc2NC1=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822955382 606647241 /nfs/dbraw/zinc/64/72/41/606647241.db2.gz SFGCVRXTCIIAPX-AWEZNQCLSA-N -1 1 378.392 1.896 20 0 GDADMM O=C(CC[C@H]1Cc2ccccc2NC1=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822955382 606647242 /nfs/dbraw/zinc/64/72/42/606647242.db2.gz SFGCVRXTCIIAPX-AWEZNQCLSA-N -1 1 378.392 1.896 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)C1 ZINC000819933545 606647828 /nfs/dbraw/zinc/64/78/28/606647828.db2.gz VPMZDIWXMCRJEJ-SFHVURJKSA-N -1 1 388.428 1.952 20 0 GDADMM CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)C1 ZINC000819933545 606647829 /nfs/dbraw/zinc/64/78/29/606647829.db2.gz VPMZDIWXMCRJEJ-SFHVURJKSA-N -1 1 388.428 1.952 20 0 GDADMM O=C(Cc1cccs1)N1CCC[C@@H]1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823436040 606650671 /nfs/dbraw/zinc/65/06/71/606650671.db2.gz FMRKPVXUIUOXCJ-OAHLLOKOSA-N -1 1 398.448 1.600 20 0 GDADMM O=C(Cc1cccs1)N1CCC[C@@H]1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823436040 606650672 /nfs/dbraw/zinc/65/06/72/606650672.db2.gz FMRKPVXUIUOXCJ-OAHLLOKOSA-N -1 1 398.448 1.600 20 0 GDADMM CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000820026085 606651777 /nfs/dbraw/zinc/65/17/77/606651777.db2.gz HJRNRNQGAOWIHU-OAHLLOKOSA-N -1 1 381.396 1.155 20 0 GDADMM CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000820026085 606651778 /nfs/dbraw/zinc/65/17/78/606651778.db2.gz HJRNRNQGAOWIHU-OAHLLOKOSA-N -1 1 381.396 1.155 20 0 GDADMM O=C(COc1ccc(N2CCCC2=O)cc1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823041287 606652205 /nfs/dbraw/zinc/65/22/05/606652205.db2.gz XANFQBULGGKANI-UHFFFAOYSA-N -1 1 394.391 1.511 20 0 GDADMM O=C(COc1ccc(N2CCCC2=O)cc1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823041287 606652206 /nfs/dbraw/zinc/65/22/06/606652206.db2.gz XANFQBULGGKANI-UHFFFAOYSA-N -1 1 394.391 1.511 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)NC[C@@H]2CSCCS2)cc1-c1nn[n-]n1 ZINC000821978856 606698378 /nfs/dbraw/zinc/69/83/78/606698378.db2.gz NGJSIBPJRLPGJA-SSDOTTSWSA-N -1 1 384.512 1.268 20 0 GDADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCOc2ccc(C(F)(F)F)cn2)n1 ZINC000822620433 606772574 /nfs/dbraw/zinc/77/25/74/606772574.db2.gz QDWKMAWJGIPRMF-UHFFFAOYSA-N -1 1 397.321 1.215 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCOc2ccc(C(F)(F)F)cn2)n1 ZINC000822620433 606772576 /nfs/dbraw/zinc/77/25/76/606772576.db2.gz QDWKMAWJGIPRMF-UHFFFAOYSA-N -1 1 397.321 1.215 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NOCc1ccccc1 ZINC000820789168 606786679 /nfs/dbraw/zinc/78/66/79/606786679.db2.gz WVCOQSQPXRLMGP-ZDUSSCGKSA-N -1 1 395.427 1.009 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NOCc1ccccc1 ZINC000820789168 606786681 /nfs/dbraw/zinc/78/66/81/606786681.db2.gz WVCOQSQPXRLMGP-ZDUSSCGKSA-N -1 1 395.427 1.009 20 0 GDADMM COC(=O)c1cc(Cn2cc(C(=O)OC)cc(-c3nn[n-]n3)c2=O)c(C)s1 ZINC000821667032 606793201 /nfs/dbraw/zinc/79/32/01/606793201.db2.gz RARQGBJNCDUVRQ-UHFFFAOYSA-N -1 1 389.393 1.020 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CC1CCSCC1 ZINC000820778032 606809136 /nfs/dbraw/zinc/80/91/36/606809136.db2.gz URLFOMUVHKPJBR-LBPRGKRZSA-N -1 1 388.501 1.227 20 0 GDADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CC1CCSCC1 ZINC000820778032 606809137 /nfs/dbraw/zinc/80/91/37/606809137.db2.gz URLFOMUVHKPJBR-LBPRGKRZSA-N -1 1 388.501 1.227 20 0 GDADMM COc1ccc(OC(F)F)c(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000821839720 606811177 /nfs/dbraw/zinc/81/11/77/606811177.db2.gz XIZCPTUXHHANMZ-UHFFFAOYSA-N -1 1 376.323 1.802 20 0 GDADMM COc1ccc(OC(F)F)c(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000821839720 606811178 /nfs/dbraw/zinc/81/11/78/606811178.db2.gz XIZCPTUXHHANMZ-UHFFFAOYSA-N -1 1 376.323 1.802 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C=Cc1cccc(F)c1 ZINC000820776699 606821350 /nfs/dbraw/zinc/82/13/50/606821350.db2.gz MRNVWWQPQPRAOK-CFHLNLSMSA-N -1 1 394.414 1.546 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C=Cc1cccc(F)c1 ZINC000820776699 606821352 /nfs/dbraw/zinc/82/13/52/606821352.db2.gz MRNVWWQPQPRAOK-CFHLNLSMSA-N -1 1 394.414 1.546 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C=Cc1ccccc1 ZINC000820778049 606821912 /nfs/dbraw/zinc/82/19/12/606821912.db2.gz UUFIUUUCOFKFAQ-HSBSLETESA-N -1 1 376.424 1.407 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C=Cc1ccccc1 ZINC000820778049 606821913 /nfs/dbraw/zinc/82/19/13/606821913.db2.gz UUFIUUUCOFKFAQ-HSBSLETESA-N -1 1 376.424 1.407 20 0 GDADMM Cc1cccc(CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1 ZINC000822299838 606822428 /nfs/dbraw/zinc/82/24/28/606822428.db2.gz WLKCBGDULYXKQN-CQSZACIVSA-N -1 1 378.440 1.245 20 0 GDADMM Cc1cccc(CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1 ZINC000822299838 606822429 /nfs/dbraw/zinc/82/24/29/606822429.db2.gz WLKCBGDULYXKQN-CQSZACIVSA-N -1 1 378.440 1.245 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc(F)cc(F)c1 ZINC000820788366 606823572 /nfs/dbraw/zinc/82/35/72/606823572.db2.gz FFILXENBWWJOJJ-SNVBAGLBSA-N -1 1 386.366 1.286 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc(F)cc(F)c1 ZINC000820788366 606823573 /nfs/dbraw/zinc/82/35/73/606823573.db2.gz FFILXENBWWJOJJ-SNVBAGLBSA-N -1 1 386.366 1.286 20 0 GDADMM CC(C)OCc1ccccc1CNC(=O)Cn1cccc(-c2nn[n-]n2)c1=O ZINC000820145603 606824277 /nfs/dbraw/zinc/82/42/77/606824277.db2.gz BSOWFHXUPUXDKW-UHFFFAOYSA-N -1 1 382.424 1.270 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000820778459 606824734 /nfs/dbraw/zinc/82/47/34/606824734.db2.gz XAOUFQQKXXNDPO-FVQBIDKESA-N -1 1 396.499 1.910 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000820778459 606824735 /nfs/dbraw/zinc/82/47/35/606824735.db2.gz XAOUFQQKXXNDPO-FVQBIDKESA-N -1 1 396.499 1.910 20 0 GDADMM C[C@@H](NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)c1cccnc1 ZINC000820352163 606826007 /nfs/dbraw/zinc/82/60/07/606826007.db2.gz SQVRKYXIALSMEN-QWHCGFSZSA-N -1 1 394.443 1.033 20 0 GDADMM C[C@@H](NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)c1cccnc1 ZINC000820352163 606826009 /nfs/dbraw/zinc/82/60/09/606826009.db2.gz SQVRKYXIALSMEN-QWHCGFSZSA-N -1 1 394.443 1.033 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NC1CCCCCC1 ZINC000820788289 606826462 /nfs/dbraw/zinc/82/64/62/606826462.db2.gz CFVRZXGQFQADKN-CYBMUJFWSA-N -1 1 385.476 1.600 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NC1CCCCCC1 ZINC000820788289 606826463 /nfs/dbraw/zinc/82/64/63/606826463.db2.gz CFVRZXGQFQADKN-CYBMUJFWSA-N -1 1 385.476 1.600 20 0 GDADMM Cc1ccccc1NC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000822362107 606832285 /nfs/dbraw/zinc/83/22/85/606832285.db2.gz MLWQYBJBEFBVLS-CYBMUJFWSA-N -1 1 379.428 1.708 20 0 GDADMM Cc1ccccc1NC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000822362107 606832287 /nfs/dbraw/zinc/83/22/87/606832287.db2.gz MLWQYBJBEFBVLS-CYBMUJFWSA-N -1 1 379.428 1.708 20 0 GDADMM CCO[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C12CCC2 ZINC000821359881 606875135 /nfs/dbraw/zinc/87/51/35/606875135.db2.gz PFQKAHFRPOWBIC-LSDHHAIUSA-N -1 1 395.460 1.974 20 0 GDADMM CO[C@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1Cl ZINC000821676638 606875177 /nfs/dbraw/zinc/87/51/77/606875177.db2.gz CUEBBJZHEGCHJW-CQSZACIVSA-N -1 1 394.844 1.581 20 0 GDADMM CO[C@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1Cl ZINC000821676638 606875178 /nfs/dbraw/zinc/87/51/78/606875178.db2.gz CUEBBJZHEGCHJW-CQSZACIVSA-N -1 1 394.844 1.581 20 0 GDADMM CCO[C@H]1C[C@H](N(C)S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C12CCC2 ZINC000821359610 606875214 /nfs/dbraw/zinc/87/52/14/606875214.db2.gz OFGFPMROFRXCCM-KBPBESRZSA-N -1 1 395.460 1.974 20 0 GDADMM CCO[C@H]1C[C@H](N(C)S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C12CCC2 ZINC000821359610 606875215 /nfs/dbraw/zinc/87/52/15/606875215.db2.gz OFGFPMROFRXCCM-KBPBESRZSA-N -1 1 395.460 1.974 20 0 GDADMM CN(CCC1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000821599315 606895472 /nfs/dbraw/zinc/89/54/72/606895472.db2.gz OPQBLXHNFIFMOK-UHFFFAOYSA-N -1 1 385.877 1.957 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1ccn(C2CCCC2)n1 ZINC000820803499 606911650 /nfs/dbraw/zinc/91/16/50/606911650.db2.gz AYDLVMDCWUVRIA-CQSZACIVSA-N -1 1 394.487 1.679 20 0 GDADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1ccn(C2CCCC2)n1 ZINC000820803499 606911652 /nfs/dbraw/zinc/91/16/52/606911652.db2.gz AYDLVMDCWUVRIA-CQSZACIVSA-N -1 1 394.487 1.679 20 0 GDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc(F)c(I)c1 ZINC000822904498 606968746 /nfs/dbraw/zinc/96/87/46/606968746.db2.gz ZDSRIBKTDKQFGX-UHFFFAOYSA-N -1 1 399.127 1.078 20 0 GDADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1cc(C(F)(F)F)n[nH]1 ZINC000822009637 606969839 /nfs/dbraw/zinc/96/98/39/606969839.db2.gz AJDYBCNPRCGEQL-UHFFFAOYSA-N -1 1 396.333 1.897 20 0 GDADMM Cc1ccc(C)c(N2CCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CC2)c1 ZINC000822231812 607070319 /nfs/dbraw/zinc/07/03/19/607070319.db2.gz IGFDRWQUKNSJAL-UHFFFAOYSA-N -1 1 381.444 1.571 20 0 GDADMM Cc1ccc(C)c(N2CCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CC2)c1 ZINC000822231812 607070320 /nfs/dbraw/zinc/07/03/20/607070320.db2.gz IGFDRWQUKNSJAL-UHFFFAOYSA-N -1 1 381.444 1.571 20 0 GDADMM CC(=O)N1CCC[C@@H](COC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)C1 ZINC000819796985 607093271 /nfs/dbraw/zinc/09/32/71/607093271.db2.gz RCXLLPUXBBVBDG-CQSZACIVSA-N -1 1 398.423 1.974 20 0 GDADMM CC(=O)N1CCC[C@@H](COC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)C1 ZINC000819796985 607093273 /nfs/dbraw/zinc/09/32/73/607093273.db2.gz RCXLLPUXBBVBDG-CQSZACIVSA-N -1 1 398.423 1.974 20 0 GDADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1ccccc1-n1cccn1 ZINC000820380452 607137132 /nfs/dbraw/zinc/13/71/32/607137132.db2.gz TWPFIZVYAYIKFP-LLVKDONJSA-N -1 1 378.400 1.669 20 0 GDADMM C[C@@H](NC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1ccccc1-n1cccn1 ZINC000820380452 607137134 /nfs/dbraw/zinc/13/71/34/607137134.db2.gz TWPFIZVYAYIKFP-LLVKDONJSA-N -1 1 378.400 1.669 20 0 GDADMM CSc1[nH]c(=O)c(C(=O)N[C@H]2CCOC3(CCC3)C2)cc1-c1nn[n-]n1 ZINC000821978290 607168864 /nfs/dbraw/zinc/16/88/64/607168864.db2.gz LJNDCNZMAAMZQN-VIFPVBQESA-N -1 1 376.442 1.521 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000823123298 607208380 /nfs/dbraw/zinc/20/83/80/607208380.db2.gz WOOYHBHWHZXMRG-UHFFFAOYSA-N -1 1 393.386 1.395 20 0 GDADMM COc1cccc(C2(CNC(=O)Cn3cnc(-c4nn[n-]n4)n3)CCCC2)c1 ZINC000821864591 607215294 /nfs/dbraw/zinc/21/52/94/607215294.db2.gz ZDDZEIYWOQXSHX-UHFFFAOYSA-N -1 1 382.428 1.095 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1ccccc1Oc1cccc(F)c1 ZINC000823132038 607215655 /nfs/dbraw/zinc/21/56/55/607215655.db2.gz WNKCHWOJXDWFHH-UHFFFAOYSA-N -1 1 394.370 1.706 20 0 GDADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000823136436 607216308 /nfs/dbraw/zinc/21/63/08/607216308.db2.gz ZXIGCVMHKAACJN-UHFFFAOYSA-N -1 1 386.379 1.640 20 0 GDADMM COc1ccc(CCN(CC(C)(C)C)C(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000821790773 607217585 /nfs/dbraw/zinc/21/75/85/607217585.db2.gz TVAMACDKQLBTIK-UHFFFAOYSA-N -1 1 398.471 1.584 20 0 GDADMM CN(CCc1nccs1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825949964 607811749 /nfs/dbraw/zinc/81/17/49/607811749.db2.gz GTHAOGUUMMHYJZ-UHFFFAOYSA-N -1 1 384.874 1.840 20 0 GDADMM O=S(=O)(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cccc(F)c1-c1nnn[n-]1 ZINC000826488518 607819672 /nfs/dbraw/zinc/81/96/72/607819672.db2.gz ROVXNXDGMMFXQF-OWYVNGRQSA-N -1 1 379.417 1.242 20 0 GDADMM O=S(=O)(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cccc(F)c1-c1nn[n-]n1 ZINC000826488518 607819673 /nfs/dbraw/zinc/81/96/73/607819673.db2.gz ROVXNXDGMMFXQF-OWYVNGRQSA-N -1 1 379.417 1.242 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N(C)C[C@H]1CCC[C@@H]1O ZINC000826327391 607863315 /nfs/dbraw/zinc/86/33/15/607863315.db2.gz GDQAJMIXBVRGOM-CJNGLKHVSA-N -1 1 398.471 1.078 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N(C)C[C@H]1CCC[C@@H]1O ZINC000826327391 607863316 /nfs/dbraw/zinc/86/33/16/607863316.db2.gz GDQAJMIXBVRGOM-CJNGLKHVSA-N -1 1 398.471 1.078 20 0 GDADMM O=C(COc1cccc(F)c1-c1nnn[n-]1)Nc1cc(-n2cnnn2)ccc1F ZINC000826418785 607866435 /nfs/dbraw/zinc/86/64/35/607866435.db2.gz WGUDDGVQBJAFOC-UHFFFAOYSA-N -1 1 399.321 1.138 20 0 GDADMM O=C(COc1cccc(F)c1-c1nn[n-]n1)Nc1cc(-n2cnnn2)ccc1F ZINC000826418785 607866436 /nfs/dbraw/zinc/86/64/36/607866436.db2.gz WGUDDGVQBJAFOC-UHFFFAOYSA-N -1 1 399.321 1.138 20 0 GDADMM CC(=O)NCc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nnn[n-]2)s1 ZINC000823994915 607867337 /nfs/dbraw/zinc/86/73/37/607867337.db2.gz SAIYCLQLGCFABM-UHFFFAOYSA-N -1 1 397.413 1.471 20 0 GDADMM CC(=O)NCc1ccc(S(=O)(=O)Oc2cccc(F)c2-c2nn[n-]n2)s1 ZINC000823994915 607867338 /nfs/dbraw/zinc/86/73/38/607867338.db2.gz SAIYCLQLGCFABM-UHFFFAOYSA-N -1 1 397.413 1.471 20 0 GDADMM CS(=O)(=O)c1ccc([C@@H](O)COc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826224281 607874727 /nfs/dbraw/zinc/87/47/27/607874727.db2.gz XUJFTPDJCUINSC-ZDUSSCGKSA-N -1 1 378.385 1.522 20 0 GDADMM CS(=O)(=O)c1ccc([C@@H](O)COc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826224281 607874728 /nfs/dbraw/zinc/87/47/28/607874728.db2.gz XUJFTPDJCUINSC-ZDUSSCGKSA-N -1 1 378.385 1.522 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(CNc3ccc(-c4nnn[n-]4)nn3)cc2)C[C@H](C)O1 ZINC000824975310 607989592 /nfs/dbraw/zinc/98/95/92/607989592.db2.gz JLCBSPJOWKWOGH-STQMWFEESA-N -1 1 394.439 1.518 20 0 GDADMM C[C@H]1CN(C(=O)c2ccc(CNc3ccc(-c4nn[n-]n4)nn3)cc2)C[C@H](C)O1 ZINC000824975310 607989593 /nfs/dbraw/zinc/98/95/93/607989593.db2.gz JLCBSPJOWKWOGH-STQMWFEESA-N -1 1 394.439 1.518 20 0 GDADMM Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)Nc1cc(-c3nn[nH]n3)ccc1[O-])C2=O ZINC000826294146 607997077 /nfs/dbraw/zinc/99/70/77/607997077.db2.gz KCEVQFVDDSLRSX-JTQLQIEISA-N -1 1 392.375 1.504 20 0 GDADMM O=C(Nc1cnn(-c2cnc3ccccc3n2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826459427 608006663 /nfs/dbraw/zinc/00/66/63/608006663.db2.gz JDWIQUANNQDDLQ-UHFFFAOYSA-N -1 1 384.363 1.643 20 0 GDADMM O=C(Nc1cnn(-c2cnc3ccccc3n2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826459427 608006664 /nfs/dbraw/zinc/00/66/64/608006664.db2.gz JDWIQUANNQDDLQ-UHFFFAOYSA-N -1 1 384.363 1.643 20 0 GDADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)[C@H]1COc2ccc(Br)cc21 ZINC000826395118 608011585 /nfs/dbraw/zinc/01/15/85/608011585.db2.gz NOAIYKAFDUIPIV-VIFPVBQESA-N -1 1 376.174 1.224 20 0 GDADMM O=C(NCc1ccc(F)cc1)c1nnc(Cn2ccnc2-c2nnn[n-]2)s1 ZINC000826442542 608013783 /nfs/dbraw/zinc/01/37/83/608013783.db2.gz ZTAMORDQFZNUSA-UHFFFAOYSA-N -1 1 385.388 1.032 20 0 GDADMM O=C(NCc1ccc(F)cc1)c1nnc(Cn2ccnc2-c2nn[n-]n2)s1 ZINC000826442542 608013784 /nfs/dbraw/zinc/01/37/84/608013784.db2.gz ZTAMORDQFZNUSA-UHFFFAOYSA-N -1 1 385.388 1.032 20 0 GDADMM C[C@@H](CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)c1nc(-c2ccccc2)no1 ZINC000824419679 608031790 /nfs/dbraw/zinc/03/17/90/608031790.db2.gz BLZDDKCOVSZKMI-JTQLQIEISA-N -1 1 394.399 1.575 20 0 GDADMM C[C@@H](CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)c1nc(-c2ccccc2)no1 ZINC000824419679 608031791 /nfs/dbraw/zinc/03/17/91/608031791.db2.gz BLZDDKCOVSZKMI-JTQLQIEISA-N -1 1 394.399 1.575 20 0 GDADMM Cn1cc(-c2nn[n-]n2)c(=O)n(Cc2cccc(NC(=O)OC(C)(C)C)c2)c1=O ZINC000826356989 608096618 /nfs/dbraw/zinc/09/66/18/608096618.db2.gz MYLBGVQDYHEXKC-UHFFFAOYSA-N -1 1 399.411 1.122 20 0 GDADMM CC(C)(C)OC(=O)N[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC000824109943 608116546 /nfs/dbraw/zinc/11/65/46/608116546.db2.gz ZYVLRLNTSWFAAF-SNVBAGLBSA-N -1 1 378.458 1.961 20 0 GDADMM CC(C)(C)OC(=O)N[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC000824109943 608116547 /nfs/dbraw/zinc/11/65/47/608116547.db2.gz ZYVLRLNTSWFAAF-SNVBAGLBSA-N -1 1 378.458 1.961 20 0 GDADMM CC(=O)NC1CCC(N(C)S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000823987722 608125992 /nfs/dbraw/zinc/12/59/92/608125992.db2.gz BMHHGRNTLVYLPL-UHFFFAOYSA-N -1 1 396.448 1.074 20 0 GDADMM CNS(=O)(=O)c1ccc2c(c1)N(c1snc(Cl)c1-c1nnn[n-]1)CC2 ZINC000826091197 608185957 /nfs/dbraw/zinc/18/59/57/608185957.db2.gz YUSINMAMTSAJKA-UHFFFAOYSA-N -1 1 397.873 1.579 20 0 GDADMM CNS(=O)(=O)c1ccc2c(c1)N(c1snc(Cl)c1-c1nn[n-]n1)CC2 ZINC000826091197 608185958 /nfs/dbraw/zinc/18/59/58/608185958.db2.gz YUSINMAMTSAJKA-UHFFFAOYSA-N -1 1 397.873 1.579 20 0 GDADMM CN(C[C@@H]1CN(c2snc(Cl)c2-c2nnn[n-]2)CCO1)c1cccnn1 ZINC000825914588 608192461 /nfs/dbraw/zinc/19/24/61/608192461.db2.gz KWBBTHQIRRUNBT-SECBINFHSA-N -1 1 393.864 1.108 20 0 GDADMM CN(C[C@@H]1CN(c2snc(Cl)c2-c2nn[n-]n2)CCO1)c1cccnn1 ZINC000825914588 608192462 /nfs/dbraw/zinc/19/24/62/608192462.db2.gz KWBBTHQIRRUNBT-SECBINFHSA-N -1 1 393.864 1.108 20 0 GDADMM CSc1nc(C2CC2)cc(C(=O)N(C)CCc2cnccn2)c1-c1nn[n-]n1 ZINC000826231719 608198330 /nfs/dbraw/zinc/19/83/30/608198330.db2.gz XFQKSHBANCMIMR-UHFFFAOYSA-N -1 1 396.480 1.966 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CCc1cccc(F)c1F ZINC000825923742 608212912 /nfs/dbraw/zinc/21/29/12/608212912.db2.gz UDTLSQLHGAWQGW-UHFFFAOYSA-N -1 1 390.398 1.474 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CCc1cccc(F)c1F ZINC000825923742 608212913 /nfs/dbraw/zinc/21/29/13/608212913.db2.gz UDTLSQLHGAWQGW-UHFFFAOYSA-N -1 1 390.398 1.474 20 0 GDADMM CSc1ccsc1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826231426 608213368 /nfs/dbraw/zinc/21/33/68/608213368.db2.gz KRSQSWDLACWQMH-UHFFFAOYSA-N -1 1 378.487 1.660 20 0 GDADMM CSc1ccsc1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826231426 608213370 /nfs/dbraw/zinc/21/33/70/608213370.db2.gz KRSQSWDLACWQMH-UHFFFAOYSA-N -1 1 378.487 1.660 20 0 GDADMM CC(C)(C)OC(=O)Nc1cccc(CC(=O)n2ncc(-c3nn[n-]n3)c2N)c1 ZINC000824113840 608277769 /nfs/dbraw/zinc/27/77/69/608277769.db2.gz FMCOCXYAEZCDKE-UHFFFAOYSA-N -1 1 384.400 1.875 20 0 GDADMM NC(=O)CONC(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000826391485 608280652 /nfs/dbraw/zinc/28/06/52/608280652.db2.gz NHBQBAVCCHNWLI-UHFFFAOYSA-N -1 1 388.771 1.459 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCC[C@H]2COCC[C@@H]21 ZINC000826495565 608303624 /nfs/dbraw/zinc/30/36/24/608303624.db2.gz UDMDDHDYDGAVTJ-JQWIXIFHSA-N -1 1 383.861 1.710 20 0 GDADMM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCC[C@H]2COCC[C@@H]21 ZINC000826495565 608303625 /nfs/dbraw/zinc/30/36/25/608303625.db2.gz UDMDDHDYDGAVTJ-JQWIXIFHSA-N -1 1 383.861 1.710 20 0 GDADMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC000826472165 608315706 /nfs/dbraw/zinc/31/57/06/608315706.db2.gz ACNCAVFUVLESPS-SFHVURJKSA-N -1 1 384.827 1.735 20 0 GDADMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC000826472165 608315708 /nfs/dbraw/zinc/31/57/08/608315708.db2.gz ACNCAVFUVLESPS-SFHVURJKSA-N -1 1 384.827 1.735 20 0 GDADMM Cc1nn(-c2ccccc2)c(CN2CC(=O)N[C@H]3CCCC[C@H]32)c1-c1nn[n-]n1 ZINC000826332028 608317721 /nfs/dbraw/zinc/31/77/21/608317721.db2.gz HMDJQCLJWZTHPV-JKSUJKDBSA-N -1 1 392.467 1.604 20 0 GDADMM C[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)[C@H]1C ZINC000824928809 608338207 /nfs/dbraw/zinc/33/82/07/608338207.db2.gz UUXKGSJXEJLIAT-NTZNESFSSA-N -1 1 388.476 1.698 20 0 GDADMM C[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)[C@H]1C ZINC000824928809 608338208 /nfs/dbraw/zinc/33/82/08/608338208.db2.gz UUXKGSJXEJLIAT-NTZNESFSSA-N -1 1 388.476 1.698 20 0 GDADMM C[C@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)c1cccs1 ZINC000824470470 608340229 /nfs/dbraw/zinc/34/02/29/608340229.db2.gz IJWOQBPWBPDORU-VIFPVBQESA-N -1 1 388.457 1.696 20 0 GDADMM C[C@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)c1cccs1 ZINC000824470470 608340230 /nfs/dbraw/zinc/34/02/30/608340230.db2.gz IJWOQBPWBPDORU-VIFPVBQESA-N -1 1 388.457 1.696 20 0 GDADMM CN(Cc1ccsc1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825986220 608342712 /nfs/dbraw/zinc/34/27/12/608342712.db2.gz UKEBYQITUSVTPK-UHFFFAOYSA-N -1 1 388.457 1.477 20 0 GDADMM CN(Cc1ccsc1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825986220 608342714 /nfs/dbraw/zinc/34/27/14/608342714.db2.gz UKEBYQITUSVTPK-UHFFFAOYSA-N -1 1 388.457 1.477 20 0 GDADMM C[C@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)c1cccnc1 ZINC000824471801 608352785 /nfs/dbraw/zinc/35/27/85/608352785.db2.gz SQAOCROFQPSHKN-JTQLQIEISA-N -1 1 383.416 1.029 20 0 GDADMM C[C@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)c1cccnc1 ZINC000824471801 608352787 /nfs/dbraw/zinc/35/27/87/608352787.db2.gz SQAOCROFQPSHKN-JTQLQIEISA-N -1 1 383.416 1.029 20 0 GDADMM CSC(C)(C)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826225135 608355233 /nfs/dbraw/zinc/35/52/33/608355233.db2.gz UJEBGKOJJNNRBO-UHFFFAOYSA-N -1 1 380.478 1.015 20 0 GDADMM CSC(C)(C)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826225135 608355235 /nfs/dbraw/zinc/35/52/35/608355235.db2.gz UJEBGKOJJNNRBO-UHFFFAOYSA-N -1 1 380.478 1.015 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N[C@@H]2CCC(F)(F)C2)n1 ZINC000824142840 608357139 /nfs/dbraw/zinc/35/71/39/608357139.db2.gz XPAFOBOYNJVLMQ-MRVPVSSYSA-N -1 1 382.375 1.061 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N[C@@H]2CCC(F)(F)C2)n1 ZINC000824142840 608357141 /nfs/dbraw/zinc/35/71/41/608357141.db2.gz XPAFOBOYNJVLMQ-MRVPVSSYSA-N -1 1 382.375 1.061 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N[C@H]2CCC(F)(F)C2)n1 ZINC000824142841 608357311 /nfs/dbraw/zinc/35/73/11/608357311.db2.gz XPAFOBOYNJVLMQ-QMMMGPOBSA-N -1 1 382.375 1.061 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N[C@H]2CCC(F)(F)C2)n1 ZINC000824142841 608357313 /nfs/dbraw/zinc/35/73/13/608357313.db2.gz XPAFOBOYNJVLMQ-QMMMGPOBSA-N -1 1 382.375 1.061 20 0 GDADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NC[C@]2(C)CCCS2)n1 ZINC000824822970 608358145 /nfs/dbraw/zinc/35/81/45/608358145.db2.gz HQGHCVYESRFNKM-INIZCTEOSA-N -1 1 392.489 1.159 20 0 GDADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NC[C@]2(C)CCCS2)n1 ZINC000824822970 608358146 /nfs/dbraw/zinc/35/81/46/608358146.db2.gz HQGHCVYESRFNKM-INIZCTEOSA-N -1 1 392.489 1.159 20 0 GDADMM C[C@@H](C(=O)Nc1ccc(Nc2ccc(-c3nnn[n-]3)nn2)cc1)n1cncn1 ZINC000824046547 608398216 /nfs/dbraw/zinc/39/82/16/608398216.db2.gz TUDPOOSASHRVLM-JTQLQIEISA-N -1 1 377.372 1.192 20 0 GDADMM C[C@@H](C(=O)Nc1ccc(Nc2ccc(-c3nn[n-]n3)nn2)cc1)n1cncn1 ZINC000824046547 608398218 /nfs/dbraw/zinc/39/82/18/608398218.db2.gz TUDPOOSASHRVLM-JTQLQIEISA-N -1 1 377.372 1.192 20 0 GDADMM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000824656130 608399597 /nfs/dbraw/zinc/39/95/97/608399597.db2.gz HZYZHFQXLBGZQK-LLVKDONJSA-N -1 1 380.412 1.487 20 0 GDADMM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000824656130 608399599 /nfs/dbraw/zinc/39/95/99/608399599.db2.gz HZYZHFQXLBGZQK-LLVKDONJSA-N -1 1 380.412 1.487 20 0 GDADMM Clc1ccc([C@H](CNc2ccc(-c3nnn[n-]3)nn2)N2CCOCC2)cc1 ZINC000826351477 608407266 /nfs/dbraw/zinc/40/72/66/608407266.db2.gz NXOSCORELBOPSO-HNNXBMFYSA-N -1 1 386.847 1.796 20 0 GDADMM Clc1ccc([C@H](CNc2ccc(-c3nn[n-]n3)nn2)N2CCOCC2)cc1 ZINC000826351477 608407267 /nfs/dbraw/zinc/40/72/67/608407267.db2.gz NXOSCORELBOPSO-HNNXBMFYSA-N -1 1 386.847 1.796 20 0 GDADMM O=S(=O)(NCc1ccncc1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826491942 608416181 /nfs/dbraw/zinc/41/61/81/608416181.db2.gz KZICHVSQIJVZJA-UHFFFAOYSA-N -1 1 384.343 1.759 20 0 GDADMM Cc1oc(NC(=O)[C@H](C)N(C)C[C@@H](O)C(F)(F)F)c(-c2nn[n-]n2)c1C ZINC000826340815 608421217 /nfs/dbraw/zinc/42/12/17/608421217.db2.gz LXAAUGBDOMJJBS-IONNQARKSA-N -1 1 376.339 1.259 20 0 GDADMM Cc1ccc2c(n1)OCCN2S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826294176 608424881 /nfs/dbraw/zinc/42/48/81/608424881.db2.gz LBDPKIHUJYKREV-UHFFFAOYSA-N -1 1 392.828 1.811 20 0 GDADMM COc1cc(N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)cc(OC)c1 ZINC000826180811 608433244 /nfs/dbraw/zinc/43/32/44/608433244.db2.gz XXCAOPDXONKIDU-LBPRGKRZSA-N -1 1 382.428 1.755 20 0 GDADMM COc1cc(N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)cc(OC)c1 ZINC000826180811 608433246 /nfs/dbraw/zinc/43/32/46/608433246.db2.gz XXCAOPDXONKIDU-LBPRGKRZSA-N -1 1 382.428 1.755 20 0 GDADMM O[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC000826507892 608436554 /nfs/dbraw/zinc/43/65/54/608436554.db2.gz YARMNRZMKUWWHW-DGCLKSJQSA-N -1 1 377.330 1.988 20 0 GDADMM O[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)N(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC000826507892 608436555 /nfs/dbraw/zinc/43/65/55/608436555.db2.gz YARMNRZMKUWWHW-DGCLKSJQSA-N -1 1 377.330 1.988 20 0 GDADMM Cc1oc(NC(=O)COC(=O)C2(C)COC(C)(C)OC2)c(-c2nn[n-]n2)c1C ZINC000826342214 608457040 /nfs/dbraw/zinc/45/70/40/608457040.db2.gz AYHCWXCAPSSXCZ-UHFFFAOYSA-N -1 1 393.400 1.347 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N(C)CCNC(=O)C(C)C ZINC000826340910 608490211 /nfs/dbraw/zinc/49/02/11/608490211.db2.gz OUAIBGFFEQQSIU-UHFFFAOYSA-N -1 1 385.428 1.403 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N(C)CCNC(=O)C(C)C ZINC000826340910 608490212 /nfs/dbraw/zinc/49/02/12/608490212.db2.gz OUAIBGFFEQQSIU-UHFFFAOYSA-N -1 1 385.428 1.403 20 0 GDADMM Cc1nn(CCOc2ccccc2Br)c(=O)c(-c2nn[n-]n2)c1C ZINC000826335003 608528455 /nfs/dbraw/zinc/52/84/55/608528455.db2.gz SWLGJFQDAIEFNF-UHFFFAOYSA-N -1 1 391.229 1.882 20 0 GDADMM O=C(COc1ccc(F)cc1)N1CCN(Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000826418097 608546862 /nfs/dbraw/zinc/54/68/62/608546862.db2.gz QWIWQQNUTQZWTE-UHFFFAOYSA-N -1 1 386.387 1.322 20 0 GDADMM O=C(COc1ccc(F)cc1)N1CCN(Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000826418097 608546863 /nfs/dbraw/zinc/54/68/63/608546863.db2.gz QWIWQQNUTQZWTE-UHFFFAOYSA-N -1 1 386.387 1.322 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1cc(F)c(F)cc1F ZINC000825930791 608549524 /nfs/dbraw/zinc/54/95/24/608549524.db2.gz ZREACZHYUDNWSW-UHFFFAOYSA-N -1 1 395.349 1.686 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)Nc1cc(F)c(F)cc1F ZINC000825930791 608549525 /nfs/dbraw/zinc/54/95/25/608549525.db2.gz ZREACZHYUDNWSW-UHFFFAOYSA-N -1 1 395.349 1.686 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)C(F)(F)c1ccccc1 ZINC000825923544 608556929 /nfs/dbraw/zinc/55/69/29/608556929.db2.gz LPNTVCDIVIQCKE-UHFFFAOYSA-N -1 1 376.371 1.355 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)C(F)(F)c1ccccc1 ZINC000825923544 608556930 /nfs/dbraw/zinc/55/69/30/608556930.db2.gz LPNTVCDIVIQCKE-UHFFFAOYSA-N -1 1 376.371 1.355 20 0 GDADMM C[C@@H](OC1CCCCCC1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824728714 608557370 /nfs/dbraw/zinc/55/73/70/608557370.db2.gz GVTBZFPQCMOYAO-GFCCVEGCSA-N -1 1 390.492 1.691 20 0 GDADMM C[C@@H](OC1CCCCCC1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824728714 608557372 /nfs/dbraw/zinc/55/73/72/608557372.db2.gz GVTBZFPQCMOYAO-GFCCVEGCSA-N -1 1 390.492 1.691 20 0 GDADMM COc1ccc([C@@H](C)CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000826188263 608558828 /nfs/dbraw/zinc/55/88/28/608558828.db2.gz RRSDXQIHQGLDTA-LBPRGKRZSA-N -1 1 398.471 1.765 20 0 GDADMM COc1ccc([C@@H](C)CC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000826188263 608558829 /nfs/dbraw/zinc/55/88/29/608558829.db2.gz RRSDXQIHQGLDTA-LBPRGKRZSA-N -1 1 398.471 1.765 20 0 GDADMM Cc1ccc2[nH]c(C(=O)N(C)CCCc3[nH]nc(N)c3-c3nnn[n-]3)cc2c1C ZINC000826293341 608559827 /nfs/dbraw/zinc/55/98/27/608559827.db2.gz LOYKRNAKCLLVHA-UHFFFAOYSA-N -1 1 393.455 1.975 20 0 GDADMM Cc1ccc2[nH]c(C(=O)N(C)CCCc3[nH]nc(N)c3-c3nn[n-]n3)cc2c1C ZINC000826293341 608559830 /nfs/dbraw/zinc/55/98/30/608559830.db2.gz LOYKRNAKCLLVHA-UHFFFAOYSA-N -1 1 393.455 1.975 20 0 GDADMM CC(C)c1ncc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)s1 ZINC000824365066 608832651 /nfs/dbraw/zinc/83/26/51/608832651.db2.gz ZKYACKSGBQLGJQ-LBPRGKRZSA-N -1 1 385.501 1.947 20 0 GDADMM C[C@H](NC(=O)Cn1ccnc1-c1nnn[n-]1)c1ccc(OC(F)(F)F)cc1 ZINC000824479916 608893398 /nfs/dbraw/zinc/89/33/98/608893398.db2.gz RJVVZQJGOXKKSR-VIFPVBQESA-N -1 1 381.318 1.839 20 0 GDADMM C[C@H](NC(=O)Cn1ccnc1-c1nn[n-]n1)c1ccc(OC(F)(F)F)cc1 ZINC000824479916 608893401 /nfs/dbraw/zinc/89/34/01/608893401.db2.gz RJVVZQJGOXKKSR-VIFPVBQESA-N -1 1 381.318 1.839 20 0 GDADMM CCc1ccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1F ZINC000825711533 609161376 /nfs/dbraw/zinc/16/13/76/609161376.db2.gz DWQXBWPUOYGCDP-UHFFFAOYSA-N -1 1 387.423 1.970 20 0 GDADMM CCc1ccc(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1F ZINC000825711533 609161378 /nfs/dbraw/zinc/16/13/78/609161378.db2.gz DWQXBWPUOYGCDP-UHFFFAOYSA-N -1 1 387.423 1.970 20 0 GDADMM COCC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)c1ccco1 ZINC000826153798 609177372 /nfs/dbraw/zinc/17/73/72/609177372.db2.gz AFVBCNCJFORGKU-LLVKDONJSA-N -1 1 390.425 1.790 20 0 GDADMM O=C(c1ccc(O)cc1O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000826473415 609197256 /nfs/dbraw/zinc/19/72/56/609197256.db2.gz XLZNQBIUACMMSW-UHFFFAOYSA-N -1 1 397.395 1.106 20 0 GDADMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])[C@H]1CCCN1C(=O)c1ccccc1O ZINC000826451188 609256500 /nfs/dbraw/zinc/25/65/00/609256500.db2.gz UXFQNPDISUNXRQ-CQSZACIVSA-N -1 1 394.391 1.521 20 0 GDADMM CC(C)CS(=O)(=O)N1CCC(NC(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000824271485 609265573 /nfs/dbraw/zinc/26/55/73/609265573.db2.gz OBTLTQHNFUFIHV-UHFFFAOYSA-N -1 1 398.514 1.108 20 0 GDADMM CC(C)CS(=O)(=O)N1CCC(NC(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000824271485 609265575 /nfs/dbraw/zinc/26/55/75/609265575.db2.gz OBTLTQHNFUFIHV-UHFFFAOYSA-N -1 1 398.514 1.108 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCCc1cccs1 ZINC000825929495 609270220 /nfs/dbraw/zinc/27/02/20/609270220.db2.gz GTYARNJASVJMFC-UHFFFAOYSA-N -1 1 375.462 1.050 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCCc1cccs1 ZINC000825929495 609270221 /nfs/dbraw/zinc/27/02/21/609270221.db2.gz GTYARNJASVJMFC-UHFFFAOYSA-N -1 1 375.462 1.050 20 0 GDADMM COC(=O)[C@@H]1CCCCCN1CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC000826132677 609295504 /nfs/dbraw/zinc/29/55/04/609295504.db2.gz GBWMKTKIMDWSNS-LBPRGKRZSA-N -1 1 376.417 1.433 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000825929275 609300933 /nfs/dbraw/zinc/30/09/33/609300933.db2.gz DYRZEBSPPAIYQQ-TZMCWYRMSA-N -1 1 399.434 1.441 20 0 GDADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000825929275 609300934 /nfs/dbraw/zinc/30/09/34/609300934.db2.gz DYRZEBSPPAIYQQ-TZMCWYRMSA-N -1 1 399.434 1.441 20 0 GDADMM CS[C@@H]1CCC[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1 ZINC000826227113 609302488 /nfs/dbraw/zinc/30/24/88/609302488.db2.gz LYQJMCFXKHHSCF-GHMZBOCLSA-N -1 1 393.521 1.420 20 0 GDADMM CS[C@@H]1CCC[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C1 ZINC000826227113 609302490 /nfs/dbraw/zinc/30/24/90/609302490.db2.gz LYQJMCFXKHHSCF-GHMZBOCLSA-N -1 1 393.521 1.420 20 0 GDADMM C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824929391 609303924 /nfs/dbraw/zinc/30/39/24/609303924.db2.gz WZAANRPMFPHVET-YABSGUDNSA-N -1 1 375.481 1.571 20 0 GDADMM C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824929391 609303926 /nfs/dbraw/zinc/30/39/26/609303926.db2.gz WZAANRPMFPHVET-YABSGUDNSA-N -1 1 375.481 1.571 20 0 GDADMM CCO[C@@H](CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(C)C ZINC000825576098 609304043 /nfs/dbraw/zinc/30/40/43/609304043.db2.gz CBQIKEWBSGBLFX-ZDUSSCGKSA-N -1 1 393.496 1.197 20 0 GDADMM CCO[C@@H](CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(C)C ZINC000825576098 609304044 /nfs/dbraw/zinc/30/40/44/609304044.db2.gz CBQIKEWBSGBLFX-ZDUSSCGKSA-N -1 1 393.496 1.197 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1cn2cccnc2n1 ZINC000826458926 609312240 /nfs/dbraw/zinc/31/22/40/609312240.db2.gz NAGULCDHIBMHKF-UHFFFAOYSA-N -1 1 390.342 1.487 20 0 GDADMM CN(C[C@H]1CCCC[C@H]1O)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825908698 609333733 /nfs/dbraw/zinc/33/37/33/609333733.db2.gz LAWSWJGSUZYPAF-ZWNOBZJWSA-N -1 1 385.877 1.692 20 0 GDADMM CCC(CC)NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825107569 609353774 /nfs/dbraw/zinc/35/37/74/609353774.db2.gz QUPWRLFBTKDJCY-UHFFFAOYSA-N -1 1 386.391 1.435 20 0 GDADMM CN(Cc1cc[nH]n1)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825953516 609356585 /nfs/dbraw/zinc/35/65/85/609356585.db2.gz JEVUKLZJWNYQNV-UHFFFAOYSA-N -1 1 382.363 1.579 20 0 GDADMM Cc1noc(CCNC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)n1 ZINC000826339463 609359224 /nfs/dbraw/zinc/35/92/24/609359224.db2.gz FRASVACDCYQLJK-UHFFFAOYSA-N -1 1 398.362 1.247 20 0 GDADMM CCCCN(CCO)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000825285278 609361897 /nfs/dbraw/zinc/36/18/97/609361897.db2.gz OROGRYQAVQOIST-UHFFFAOYSA-N -1 1 388.407 1.818 20 0 GDADMM O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N[C@H](CO)CC1CC1 ZINC000826458491 609362469 /nfs/dbraw/zinc/36/24/69/609362469.db2.gz RQHGDJYNYIVVFY-NSHDSACASA-N -1 1 386.391 1.474 20 0 GDADMM C[C@@H]1C[C@H](C)N(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C1 ZINC000824874274 609365610 /nfs/dbraw/zinc/36/56/10/609365610.db2.gz BQFZKGAEHQIAAY-MNOVXSKESA-N -1 1 398.402 1.387 20 0 GDADMM C[C@H]1CN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)C[C@H]1C ZINC000824967036 609365792 /nfs/dbraw/zinc/36/57/92/609365792.db2.gz GRXMRHCAGKYUDW-PHIMTYICSA-N -1 1 398.402 1.244 20 0 GDADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OC[C@H]1CCO[C@@H](C)C1 ZINC000826328433 609391234 /nfs/dbraw/zinc/39/12/34/609391234.db2.gz REJNHNQUEYGXQW-FZMZJTMJSA-N -1 1 399.455 1.817 20 0 GDADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OC[C@H]1CCO[C@@H](C)C1 ZINC000826328433 609391236 /nfs/dbraw/zinc/39/12/36/609391236.db2.gz REJNHNQUEYGXQW-FZMZJTMJSA-N -1 1 399.455 1.817 20 0 GDADMM COc1ccc(-c2nnc(NC(=O)Cc3noc(C)c3-c3nnn[n-]3)s2)cc1 ZINC000826181846 609467827 /nfs/dbraw/zinc/46/78/27/609467827.db2.gz POQDCYYKCWMIJC-UHFFFAOYSA-N -1 1 398.408 1.871 20 0 GDADMM COc1ccc(-c2nnc(NC(=O)Cc3noc(C)c3-c3nn[n-]n3)s2)cc1 ZINC000826181846 609467829 /nfs/dbraw/zinc/46/78/29/609467829.db2.gz POQDCYYKCWMIJC-UHFFFAOYSA-N -1 1 398.408 1.871 20 0 GDADMM COC[C@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)c1ccc(F)c(F)c1 ZINC000826150285 609470023 /nfs/dbraw/zinc/47/00/23/609470023.db2.gz ANZZWABYFAPIPA-ZDUSSCGKSA-N -1 1 378.339 1.488 20 0 GDADMM COC[C@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)c1ccc(F)c(F)c1 ZINC000826150285 609470026 /nfs/dbraw/zinc/47/00/26/609470026.db2.gz ANZZWABYFAPIPA-ZDUSSCGKSA-N -1 1 378.339 1.488 20 0 GDADMM COC[C@@H](NC(=O)Cc1noc(C)c1-c1nnn[n-]1)c1ccc(F)c(F)c1 ZINC000826150284 609470107 /nfs/dbraw/zinc/47/01/07/609470107.db2.gz ANZZWABYFAPIPA-CYBMUJFWSA-N -1 1 378.339 1.488 20 0 GDADMM COC[C@@H](NC(=O)Cc1noc(C)c1-c1nn[n-]n1)c1ccc(F)c(F)c1 ZINC000826150284 609470110 /nfs/dbraw/zinc/47/01/10/609470110.db2.gz ANZZWABYFAPIPA-CYBMUJFWSA-N -1 1 378.339 1.488 20 0 GDADMM Cc1onc(CC(=O)N(Cc2ccccc2)[C@H](CO)C2CC2)c1-c1nnn[n-]1 ZINC000826343427 609470205 /nfs/dbraw/zinc/47/02/05/609470205.db2.gz ADMZFGGOYWJFMH-MRXNPFEDSA-N -1 1 382.424 1.505 20 0 GDADMM Cc1onc(CC(=O)N(Cc2ccccc2)[C@H](CO)C2CC2)c1-c1nn[n-]n1 ZINC000826343427 609470207 /nfs/dbraw/zinc/47/02/07/609470207.db2.gz ADMZFGGOYWJFMH-MRXNPFEDSA-N -1 1 382.424 1.505 20 0 GDADMM Cc1onc(CC(=O)Nc2ccccc2[C@H](O)C(F)(F)F)c1-c1nnn[n-]1 ZINC000826348814 609471695 /nfs/dbraw/zinc/47/16/95/609471695.db2.gz GHPRFTPOLGQLBJ-ZDUSSCGKSA-N -1 1 382.302 1.940 20 0 GDADMM Cc1onc(CC(=O)Nc2ccccc2[C@H](O)C(F)(F)F)c1-c1nn[n-]n1 ZINC000826348814 609471697 /nfs/dbraw/zinc/47/16/97/609471697.db2.gz GHPRFTPOLGQLBJ-ZDUSSCGKSA-N -1 1 382.302 1.940 20 0 GDADMM C[C@H](O)[C@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C1 ZINC000824689491 609582040 /nfs/dbraw/zinc/58/20/40/609582040.db2.gz LNBINZKZAVNGHC-IUCAKERBSA-N -1 1 391.375 1.277 20 0 GDADMM COCC[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccco1 ZINC000826153872 609583062 /nfs/dbraw/zinc/58/30/62/609583062.db2.gz BZQGCZGCIGHZTG-GFCCVEGCSA-N -1 1 381.389 1.655 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCN(C(C)C)C(=O)C1 ZINC000826340539 609641003 /nfs/dbraw/zinc/64/10/03/609641003.db2.gz BMKYTJZXTMMJET-UHFFFAOYSA-N -1 1 383.412 1.252 20 0 GDADMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCN(C(C)C)C(=O)C1 ZINC000826340539 609641004 /nfs/dbraw/zinc/64/10/04/609641004.db2.gz BMKYTJZXTMMJET-UHFFFAOYSA-N -1 1 383.412 1.252 20 0 GDADMM 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